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 2 physical rank 2 will use CUDA device of pe 4 Pe 0 physical rank 0 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 3 physical rank 3 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 Pe 8 physical rank 1 will use CUDA device of pe 7 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 0.0361798 s Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 9 physical rank 2 will use CUDA device of pe 7 Pe 12 physical rank 5 will use CUDA device of pe 7 Pe 13 physical rank 6 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 CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.3008 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_water_new/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 Equilibration.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 68.6318 0 0 Info: PERIODIC CELL BASIS 2 0 80.7759 0 Info: PERIODIC CELL BASIS 3 0 0 100.398 Info: PERIODIC CELL CENTER -0.83533 -0.207739 0.708041 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 Equilibration.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.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD Info: RESTART FILENAME MD.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 0.495 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16.995 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 1.12232e-07 1.12232e-07 1.12232e-07 Info: CELL FLUCTUATION IS ISOTROPIC 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 72 84 108 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 1474595213 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB 1qhj_water_QwikMD.pdb Info: STRUCTURE FILE 1qhj_water_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 Equilibration.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: 1.38033 Info: Reading pdb file 1qhj_water_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.205439 Info: Info: **************************** Info: STRUCTURE SUMMARY: Info: 56678 ATOMS Info: 38979 BONDS Info: 24331 ANGLES Info: 9759 DIHEDRALS Info: 523 IMPROPERS Info: 225 CROSSTERMS Info: 0 EXCLUSIONS Info: 54791 RIGID BONDS Info: 115243 DEGREES OF FREEDOM Info: 19534 HYDROGEN GROUPS Info: 4 ATOMS IN LARGEST HYDROGEN GROUP Info: 19534 MIGRATION GROUPS Info: 4 ATOMS IN LARGEST MIGRATION GROUP Info: TOTAL MASS = 346105 amu Info: TOTAL CHARGE = 2.03773e-06 e Info: MASS DENSITY = 1.0326 g/cm^3 Info: ATOM DENSITY = 0.101831 atoms/A^3 Info: ***************************** Info: Reading from binary file Equilibration.restart.coor Info: Info: Entering startup at 2.40069 s, 144.57 MB of memory in use Info: Startup phase 0 took 0.000338908 s, 144.582 MB of memory in use Info: ADDED 72885 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.0939515 s, 155.129 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 0.010087 s, 159.5 MB of memory in use Info: Startup phase 3 took 0.000220344 s, 159.664 MB of memory in use Info: Startup phase 4 took 0.00161255 s, 162.562 MB of memory in use Info: Startup phase 5 took 0.00020612 s, 162.781 MB of memory in use Info: REDUCING NUMBER OF PATCHES TO IMPROVE LOAD BALANCE Info: PATCH GRID IS 7 (PERIODIC) BY 4 (PERIODIC) BY 5 (PERIODIC) Info: PATCH GRID IS 2-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file Equilibration.restart.vel Info: REMOVING COM VELOCITY -0.0312184 0.0105553 0.00153897 Info: LARGEST PATCH (73) HAS 440 ATOMS Info: TORUS A SIZE 24 USING 7 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 0 20 21 22 23 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 0.0883149 s, 174.051 MB of memory in use Info: PME using 36 and 42 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 3 10 12 17 19 24 26 31 38 40 ... Info: PME TRANS LOCATIONS: 1 5 8 13 15 20 22 27 29 33 ... Info: PME USING 20 GRID NODES AND 20 TRANS NODES Info: Startup phase 7 took 0.547042 s, 174.816 MB of memory in use Info: Startup phase 8 took 0.00265037 s, 174.602 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.0364095 s, 174.602 MB of memory in use Info: CREATING 5174 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Info: Found 309 unique exclusion lists needing 1048 bytes Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 2 hosts 0 local and 6 remote patches for pe 4 Pe 8 hosts 0 local and 4 remote patches for pe 7 Pe 13 hosts 0 local and 7 remote patches for pe 7 Pe 5 hosts 0 local and 5 remote patches for pe 4 Pe 6 hosts 0 local and 5 remote patches for pe 4 Pe 4 hosts 0 local and 3 remote patches for pe 4 Pe 0 hosts 0 local and 3 remote patches for pe 4 Pe 3 hosts 0 local and 5 remote patches for pe 4 Pe 7 hosts 0 local and 7 remote patches for pe 7 Pe 9 hosts 0 local and 8 remote patches for pe 7 Pe 11 hosts 0 local and 4 remote patches for pe 7 Pe 10 hosts 0 local and 7 remote patches for pe 7 Pe 12 hosts 0 local and 5 remote patches for pe 7 Info: Startup phase 10 took 0.0319835 s, 178.629 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 0.000416664 s, 178.695 MB of memory in use Info: Startup phase 12 took 0.000101794 s, 178.695 MB of memory in use Info: Finished startup at 3.21403 s, 178.695 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 33 remote patches and 0 local and 138 remote computes. Pe 7 has 0 local and 42 remote patches and 0 local and 161 remote computes. PRESSURE: 0 96.2043 -150.736 -33.3205 -150.735 -185.651 189.969 -33.3214 189.969 -8.72172 GPRESSURE: 0 87.2344 -96.8031 53.3257 -146.289 -132.261 110.772 -108.505 195.788 42.6954 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 709.2339 2067.6550 1983.1852 115.2443 -206095.0918 17526.8634 0.0000 0.0000 34602.4060 -149090.5040 302.1914 -183692.9100 -148995.2652 302.1914 -32.7226 -0.7770 556588.4189 -32.7226 -0.7770 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 3.29985 LDB: ============== END OF LOAD BALANCING =============== 3.30004 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.30161 LDB: ============= START OF LOAD BALANCING ============== 3.58289 LDB: Largest compute 4827 load 0.023712 is 25.4% of average load 0.093343 LDB: Average compute 0.001421 is 1.5% of average load 0.093343 LDB: Partitioning computes with target load 0.009334 LDB: Increased migratable compute count from 840 to 840 LDB: Largest unpartitionable compute is 0.023712 LDB: ============== END OF LOAD BALANCING =============== 3.58679 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.59109 Info: Initial time: 140 CPUs 0.00354295 s/step 0.0205032 days/ns 190.215 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.65104 LDB: ============== END OF LOAD BALANCING =============== 3.65121 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.65277 LDB: ============= START OF LOAD BALANCING ============== 3.88874 LDB: Largest compute 4827 load 0.023214 is 24.7% of average load 0.093959 LDB: Average compute 0.001386 is 1.5% of average load 0.093959 LDB: TIME 3.89096 LOAD: AVG 0.0939592 MAX 0.15414 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 193.559 MB LDB: TIME 3.8921 LOAD: AVG 0.0939592 MAX 0.139165 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 TorusLB MEM: 193.641 MB LDB: ============== END OF LOAD BALANCING =============== 3.89499 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.89891 PRESSURE: 200 -81.734 12.2454 -170.073 12.2452 -265.922 0.672103 -170.073 0.671262 -103.12 GPRESSURE: 200 -64.4024 -28.2363 -159.315 -38.4593 -220.796 7.42645 -216.932 -94.6583 -67.9749 PRESSAVG: 200 -20.3559 -17.5473 -31.623 -17.5473 -8.16697 -13.7513 -31.623 -13.7514 11.3566 GPRESSAVG: 200 -19.3491 -17.802 -29.1852 -17.3443 -8.78808 -10.8113 -33.6974 -14.1218 10.7524 Info: Initial time: 140 CPUs 0.00295439 s/step 0.0170972 days/ns 192.383 MB memory TIMING: 200 CPU: 0.72365, 0.00335976/step Wall: 0.72365, 0.00335975/step, 4.66614 hours remaining, 192.585938 MB of memory in use. ENERGY: 200 780.0406 2097.5243 1981.4907 111.6747 -206006.5915 17599.7568 0.0000 0.0000 34373.4575 -149062.6469 300.1920 -183436.1043 -148970.6000 299.4526 -150.2584 -117.7244 557767.7228 -5.7221 -5.7949 LDB: ============= START OF LOAD BALANCING ============== 4.19508 LDB: Largest compute 4820 load 0.028731 is 24.1% of average load 0.119146 LDB: Average compute 0.001733 is 1.5% of average load 0.119146 LDB: TIME 4.19753 LOAD: AVG 0.119146 MAX 0.174731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 192.586 MB LDB: TIME 4.19791 LOAD: AVG 0.119146 MAX 0.174731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 192.59 MB LDB: TIME 4.19803 LOAD: AVG 0.119146 MAX 0.174731 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 192.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4.20008 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.20444 Info: Initial time: 140 CPUs 0.00295784 s/step 0.0171172 days/ns 194.277 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.49808 LDB: Largest compute 4820 load 0.028580 is 24.4% of average load 0.117100 LDB: Average compute 0.001712 is 1.5% of average load 0.117100 LDB: TIME 4.50039 LOAD: AVG 0.1171 MAX 0.173409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 194.379 MB LDB: TIME 4.50067 LOAD: AVG 0.1171 MAX 0.173409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 194.477 MB LDB: TIME 4.50077 LOAD: AVG 0.1171 MAX 0.173409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 194.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4.50255 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.5065 PRESSURE: 400 170.875 -123.216 -3.01422 -123.217 16.0876 -30.2016 -3.01435 -30.2019 71.7573 GPRESSURE: 400 189.827 -119.412 1.51953 -105.455 46.2779 -9.22742 11.8573 -80.9917 104.039 PRESSAVG: 400 -4.0987 -42.9658 -14.366 -42.9659 12.4449 0.558164 -14.366 0.558225 34.8594 GPRESSAVG: 400 -5.67172 -42.4693 -14.2396 -41.6389 12.6796 -0.733128 -13.7148 1.39185 36.3756 Info: Benchmark time: 140 CPUs 0.00293584 s/step 0.0169898 days/ns 193.398 MB memory TIMING: 400 CPU: 1.33108, 0.00303715/step Wall: 1.33108, 0.00303715/step, 4.21793 hours remaining, 193.582031 MB of memory in use. ENERGY: 400 752.4023 2107.8438 1971.8566 118.4935 -206224.0713 17936.5472 0.0000 0.0000 34206.5075 -149130.4204 298.7339 -183336.9279 -149040.6794 299.6167 86.2399 113.3812 556764.9501 14.4019 14.4612 Info: Benchmark time: 140 CPUs 0.00293322 s/step 0.0169746 days/ns 193.941 MB memory PRESSURE: 600 67.7433 97.7209 67.0753 97.7199 -299.679 78.9092 67.0732 78.908 -41.7276 GPRESSURE: 600 125.277 121.183 140.804 88.9729 -296.089 87.1601 -3.11559 150.05 15.5257 PRESSAVG: 600 -22.0532 -23.8148 9.58508 -23.8149 38.047 -15.0673 9.58499 -15.0673 -5.18889 GPRESSAVG: 600 -19.7956 -25.1204 8.50629 -25.1228 36.7644 -14.3048 8.89041 -18.5136 -5.94388 Info: Benchmark time: 140 CPUs 0.00291908 s/step 0.0168928 days/ns 193.941 MB memory TIMING: 600 CPU: 1.91651, 0.00292713/step Wall: 1.91651, 0.00292713/step, 4.06497 hours remaining, 193.941406 MB of memory in use. ENERGY: 600 732.6476 2073.3243 2001.6473 120.7230 -206198.9485 17578.1713 0.0000 0.0000 34234.7458 -149457.6892 298.9806 -183692.4351 -149356.7653 299.0057 -91.2211 -51.7622 555704.7704 3.6016 3.6750 Info: Benchmark time: 140 CPUs 0.00293774 s/step 0.0170008 days/ns 193.941 MB memory PRESSURE: 800 -184.011 -72.3063 -41.4209 -72.3073 -74.2019 -91.2228 -41.4218 -91.2244 -72.0848 GPRESSURE: 800 -103.788 -25.3388 -27.6738 -18.097 -84.8139 -116.027 -61.8308 -62.1671 -32.787 PRESSAVG: 800 -0.860991 -62.9271 -20.9269 -62.927 9.12633 -25.5782 -20.9269 -25.578 -22.1049 GPRESSAVG: 800 -2.199 -59.4767 -21.016 -63.8172 10.4856 -26.6037 -20.5295 -21.7787 -21.9804 Info: Benchmark time: 140 CPUs 0.00292104 s/step 0.0169041 days/ns 193.941 MB memory TIMING: 800 CPU: 2.50258, 0.00293036/step Wall: 2.50258, 0.00293037/step, 4.0693 hours remaining, 193.941406 MB of memory in use. ENERGY: 800 759.2744 2058.6626 1977.1745 112.6951 -206591.9010 17749.1094 0.0000 0.0000 34294.3023 -149640.6827 299.5007 -183934.9850 -149541.3350 298.0825 -110.0991 -73.7964 555783.4175 -4.6132 -4.5646 Info: Benchmark time: 140 CPUs 0.00292418 s/step 0.0169223 days/ns 193.941 MB memory PRESSURE: 1000 -55.689 -100.732 -12.7236 -100.731 -81.7997 -139.137 -12.7227 -139.137 -32.1957 GPRESSURE: 1000 -61.5528 -73.289 -63.4629 -131.984 -56.1977 -137.178 -5.41451 -141.803 39.3252 PRESSAVG: 1000 32.5375 12.5835 20.8163 12.5835 22.5955 0.283351 20.8164 0.283357 -71.7832 GPRESSAVG: 1000 32.6063 9.41375 21.8448 14.6429 22.7117 2.08625 21.6692 -2.36474 -72.1403 TIMING: 1000 CPU: 3.08863, 0.00293024/step Wall: 3.08863, 0.00293024/step, 4.06896 hours remaining, 194.000000 MB of memory in use. ENERGY: 1000 765.0544 2095.5374 2003.1583 123.2158 -206542.7184 17801.2680 0.0000 0.0000 34116.7862 -149637.6982 297.9504 -183754.4844 -149540.4631 297.9895 -56.5615 -26.1418 556352.5768 -5.5500 -5.6074 PRESSURE: 1200 -62.2005 16.8683 -7.98546 16.8697 -8.89216 -71.9174 -7.9864 -71.9189 -211.185 GPRESSURE: 1200 -41.6169 2.68202 -40.4611 111.05 60.3938 -1.60565 4.46836 -99.1172 -189.216 PRESSAVG: 1200 33.6382 7.02645 7.82917 7.02641 25.1859 -19.0754 7.82903 -19.0754 -42.971 GPRESSAVG: 1200 32.7321 6.62953 6.37194 7.70334 26.3083 -20.5498 9.53617 -17.8928 -43.2922 TIMING: 1200 CPU: 3.67689, 0.00294133/step Wall: 3.67689, 0.00294133/step, 4.0842 hours remaining, 194.074219 MB of memory in use. ENERGY: 1200 726.5805 2085.6351 1997.5397 108.4404 -206208.4777 17636.0481 0.0000 0.0000 34189.0763 -149465.1575 298.5817 -183654.2338 -149363.1669 297.8633 -94.0926 -56.8130 556981.8507 5.2843 5.2494 PRESSURE: 1400 -199.036 111.415 29.083 111.416 42.2746 86.4877 29.0827 86.4891 -64.7694 GPRESSURE: 1400 -156.402 41.3182 -72.6589 175.316 84.7575 128.665 69.0853 37.3297 -44.2656 PRESSAVG: 1400 9.60764 22.1317 -16.2343 22.1317 80.375 -14.2254 -16.2343 -14.2255 -40.9478 GPRESSAVG: 1400 11.2374 22.676 -16.2213 21.046 79.4814 -13.2601 -16.9872 -14.166 -41.6296 TIMING: 1400 CPU: 4.26258, 0.00292844/step Wall: 4.26258, 0.00292844/step, 4.06615 hours remaining, 194.074219 MB of memory in use. ENERGY: 1400 767.1315 2082.2064 1988.3843 138.2491 -206342.2723 17830.9093 0.0000 0.0000 34109.0347 -149426.3570 297.8827 -183535.3917 -149326.9430 298.3695 -73.8435 -38.6366 558949.0875 16.3450 16.3631 PRESSURE: 1600 -12.1011 -50.2332 -104.986 -50.2348 -11.5657 -48.9742 -104.986 -48.9739 -232.196 GPRESSURE: 1600 74.2633 -40.6497 -125.48 -67.2953 -18.6303 -124.993 -36.806 -64.9919 -224.501 PRESSAVG: 1600 7.58812 -52.0061 -3.47042 -52.006 45.9615 24.8164 -3.47046 24.8163 -50.9883 GPRESSAVG: 1600 6.84552 -52.086 -1.44255 -50.3984 45.3503 25.5476 -4.70248 23.6021 -50.0998 TIMING: 1600 CPU: 4.84481, 0.00291117/step Wall: 4.84481, 0.00291117/step, 4.04199 hours remaining, 194.074219 MB of memory in use. ENERGY: 1600 771.4188 2062.6319 2006.6184 119.0655 -205954.4337 17695.5609 0.0000 0.0000 33964.9736 -149334.1647 296.6246 -183299.1383 -149244.1048 298.3946 -85.2876 -56.2892 557655.1309 0.8538 0.6987 PRESSURE: 1800 -261.21 172.226 6.18391 172.225 -240.553 -33.3578 6.18424 -33.3567 -93.8779 GPRESSURE: 1800 -260.117 130.725 -55.9481 105.95 -173.919 -0.343569 36.087 -100.059 -55.9868 PRESSAVG: 1800 13.937 12.1354 2.00467 12.1355 31.0814 40.9121 2.00476 40.9122 -15.5832 GPRESSAVG: 1800 13.8687 13.1375 -0.210031 11.4002 31.4695 39.9169 4.40714 42.3233 -15.6941 TIMING: 1800 CPU: 5.42622, 0.00290704/step Wall: 5.42622, 0.00290704/step, 4.0361 hours remaining, 194.074219 MB of memory in use. ENERGY: 1800 767.6608 2048.7287 1995.4558 120.2513 -205962.8742 17603.4710 0.0000 0.0000 33862.0795 -149565.2271 295.7260 -183427.3066 -149472.8433 297.6967 -198.5469 -163.3410 557607.9003 9.8117 9.8813 PRESSURE: 2000 -153.766 -86.1685 -156.815 -86.1673 108.163 77.0181 -156.815 77.0179 16.8589 GPRESSURE: 2000 -104.929 -70.6164 -215.627 -140 163.885 75.7992 -138.54 57.5861 24.2535 PRESSAVG: 2000 -43.0563 12.2204 -21.7763 12.2203 9.0404 29.9912 -21.7764 29.9911 21.8907 GPRESSAVG: 2000 -43.3046 12.1219 -19.2813 11.2193 9.68854 28.5766 -24.6081 29.7424 21.0759 TIMING: 2000 CPU: 6.00743, 0.00290605/step Wall: 6.00743, 0.00290605/step, 4.03456 hours remaining, 194.074219 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: 2000 747.7638 2113.3944 1950.6938 102.9645 -206357.7316 17807.7428 0.0000 0.0000 34050.8630 -149584.3092 297.3747 -183635.1722 -149483.9896 297.4156 -9.5814 27.7365 556700.0729 -4.0417 -4.1800 PRESSURE: 2200 -73.3435 -94.3135 170.464 -94.3138 -91.12 92.5614 170.464 92.5611 -227.574 GPRESSURE: 2200 -71.9682 -108.146 202.077 -82.5247 -82.3594 1.12116 168.522 93.0537 -135.363 PRESSAVG: 2200 20.4488 -22.8743 30.4096 -22.8742 1.08112 38.0058 30.4096 38.0058 5.74223 GPRESSAVG: 2200 21.0964 -20.9774 30.1543 -22.5887 1.16972 38.9952 30.8036 37.7248 5.88419 TIMING: 2200 CPU: 6.58505, 0.00288808/step Wall: 6.58505, 0.00288808/step, 4.00946 hours remaining, 194.074219 MB of memory in use. ENERGY: 2200 739.7561 2043.5812 1995.0744 130.3122 -206055.9595 17518.4178 0.0000 0.0000 34092.5292 -149536.2887 297.7385 -183628.8179 -149437.1061 297.9605 -130.6793 -96.5636 556976.5647 9.0907 9.3834 PRESSURE: 2400 97.4115 12.7254 165.551 12.7256 -68.4572 -81.2254 165.55 -81.226 201.545 GPRESSURE: 2400 82.7286 76.6443 96.6739 -29.1467 -50.1596 -68.8856 145.044 -58.6775 290.894 PRESSAVG: 2400 12.0182 -25.2967 28.1026 -25.2968 -45.136 -59.1576 28.1025 -59.1576 20.3483 GPRESSAVG: 2400 11.7053 -27.5677 26.1168 -24.3822 -46.0809 -60.1559 30.807 -57.9445 21.2878 TIMING: 2400 CPU: 7.16583, 0.0029039/step Wall: 7.16583, 0.0029039/step, 4.03126 hours remaining, 194.074219 MB of memory in use. ENERGY: 2400 759.7586 2035.1007 1986.2271 117.9621 -206397.1541 17891.8849 0.0000 0.0000 34046.1066 -149560.1140 297.3331 -183606.2206 -149457.5212 298.2016 76.8332 107.8211 554277.1992 -4.2565 -4.3626 PRESSURE: 2600 108.981 -109.922 120.654 -109.921 6.08754 53.4355 120.654 53.4346 153.789 GPRESSURE: 2600 81.4611 -125.1 58.0346 -83.0392 36.2554 89.5352 150.204 72.2773 245.386 PRESSAVG: 2600 12.5265 -15.5972 53.9486 -15.5971 2.06084 18.1089 53.9486 18.1089 -15.351 GPRESSAVG: 2600 13.4272 -16.2643 54.1284 -16.2964 1.63004 19.5014 51.3638 16.3319 -16.4675 TIMING: 2600 CPU: 7.74765, 0.00290909/step Wall: 7.74764, 0.00290909/step, 4.03829 hours remaining, 194.074219 MB of memory in use. ENERGY: 2600 740.2900 2099.0793 1961.9126 107.9669 -206914.7572 18138.2107 0.0000 0.0000 34113.7087 -149753.5889 297.9235 -183867.2976 -149662.5452 297.4026 89.6190 121.0342 555562.4927 -0.2545 -0.4701 PRESSURE: 2800 62.1116 79.1851 -95.2346 79.1857 -11.095 134.902 -95.2359 134.901 59.9364 GPRESSURE: 2800 97.9715 60.8284 -25.5372 75.1145 52.3623 124.402 -169.262 82.4648 53.0672 PRESSAVG: 2800 -2.27499 37.8877 -5.68481 37.8877 34.6519 -12.0586 -5.68485 -12.0586 -1.28842 GPRESSAVG: 2800 -2.76827 39.2689 -5.77631 38.7598 34.8187 -13.5353 -5.34283 -10.2493 -0.274595 TIMING: 2800 CPU: 8.32829, 0.00290324/step Wall: 8.32829, 0.00290324/step, 4.03002 hours remaining, 194.074219 MB of memory in use. ENERGY: 2800 737.9830 2075.6679 1969.7648 130.9971 -206648.3325 18010.7886 0.0000 0.0000 34113.7778 -149609.3533 297.9241 -183723.1311 -149518.1578 298.1050 36.9843 67.8003 555424.0206 10.3628 10.5919 PRESSURE: 3000 -48.0473 30.7698 45.0315 30.7689 42.8813 24.7521 45.031 24.7519 -417.44 GPRESSURE: 3000 -22.5029 -87.4488 51.2379 55.0262 117.439 10.639 100.059 196.198 -418.393 PRESSAVG: 3000 56.9183 0.866124 7.01937 0.866063 13.3271 -6.20248 7.01937 -6.20246 -23.0596 GPRESSAVG: 3000 57.3432 0.666715 7.42458 0.0827116 12.5151 -3.87339 8.22677 -7.30153 -22.8827 TIMING: 3000 CPU: 8.90847, 0.00290087/step Wall: 8.90847, 0.00290087/step, 4.02657 hours remaining, 194.074219 MB of memory in use. ENERGY: 3000 725.4707 2082.4989 1993.0898 117.5489 -206573.7478 17666.4023 0.0000 0.0000 34181.3558 -149807.3814 298.5143 -183988.7372 -149713.5274 297.8027 -140.8685 -107.8189 555126.9094 15.7286 15.6586 PRESSURE: 3200 -290.789 -148.196 -17.4508 -148.197 -213.276 49.6933 -17.4512 49.6938 -243.919 GPRESSURE: 3200 -250.539 -99.6307 1.2376 -60.2457 -174.494 38.6696 -74.0754 49.6821 -219.642 PRESSAVG: 3200 26.6443 -16.3998 29.9388 -16.3998 49.3272 -19.598 29.9388 -19.598 -52.9744 GPRESSAVG: 3200 26.2407 -17.0513 30.1862 -16.0215 50.0884 -20.8611 27.5794 -20.8538 -53.5343 TIMING: 3200 CPU: 9.49521, 0.00293373/step Wall: 9.49521, 0.00293373/step, 4.07202 hours remaining, 194.089844 MB of memory in use. ENERGY: 3200 792.9065 2117.5952 1973.8006 113.5086 -206422.2832 17699.9451 0.0000 0.0000 33958.3171 -149766.2103 296.5664 -183724.5274 -149677.8181 297.6262 -249.3279 -214.8914 557537.1688 7.6657 7.5982 PRESSURE: 3400 -60.6149 87.1888 145.904 87.1886 241.048 -9.47933 145.904 -9.47993 78.9801 GPRESSURE: 3400 9.8047 71.456 137.312 118.924 280.209 -73.1533 108.078 48.4972 65.7231 PRESSAVG: 3400 -1.55221 -16.2348 28.001 -16.2348 26.5802 -8.60236 28.0009 -8.6024 -5.58265 GPRESSAVG: 3400 -2.90926 -16.0502 29.049 -17.6356 28.3068 -9.07797 28.7802 -7.47563 -6.10321 TIMING: 3400 CPU: 10.0764, 0.0029059/step Wall: 10.0764, 0.0029059/step, 4.03322 hours remaining, 194.089844 MB of memory in use. ENERGY: 3400 771.4721 2112.3167 1940.7830 108.7959 -206727.2108 18149.2504 0.0000 0.0000 33995.8901 -149648.7026 296.8946 -183644.5927 -149560.1673 297.6290 86.4709 118.5790 558273.0698 6.4818 6.4314 PRESSURE: 3600 -140.121 -31.8218 9.08074 -31.8205 -141.805 -30.4774 9.08149 -30.4764 -81.5427 GPRESSURE: 3600 -103.443 -92.0997 62.5801 -16.5173 -135.943 -25.9315 -72.6152 16.406 -10.9758 PRESSAVG: 3600 -16.8854 21.0353 11.1413 21.0353 11.1937 -29.66 11.1414 -29.6601 50.0181 GPRESSAVG: 3600 -15.2406 23.1951 9.61533 22.9564 8.9889 -29.7405 12.3264 -31.9015 50.6168 TIMING: 3600 CPU: 10.6622, 0.00292893/step Wall: 10.6622, 0.00292893/step, 4.06503 hours remaining, 194.089844 MB of memory in use. ENERGY: 3600 730.1162 2088.1715 1988.7002 111.2264 -206231.7886 17742.1258 0.0000 0.0000 34081.6461 -149489.8023 297.6435 -183571.4484 -149389.9480 297.5487 -121.1561 -83.4539 558350.2553 14.7755 14.7884 PRESSURE: 3800 -73.3124 -119.465 -16.4328 -119.466 -142.587 -63.0726 -16.4319 -63.0739 -340.434 GPRESSURE: 3800 -40.6809 -42.7921 -5.78986 -102.897 -145.729 54.5145 -106.285 -192.863 -275.863 PRESSAVG: 3800 73.3003 3.02042 3.1439 3.02029 -39.8219 -26.2099 3.14394 -26.2099 -52.6177 GPRESSAVG: 3800 72.4513 0.065805 4.74014 1.00271 -39.3716 -26.1397 1.74943 -23.827 -52.4448 TIMING: 3800 CPU: 11.2465, 0.00292148/step Wall: 11.2465, 0.00292148/step, 4.05452 hours remaining, 194.089844 MB of memory in use. ENERGY: 3800 726.9186 2112.1869 1992.4008 106.5141 -206275.1357 17570.2931 0.0000 0.0000 34078.7544 -149688.0680 297.6182 -183766.8223 -149588.0175 297.4012 -185.4445 -154.0910 557608.6886 -6.3798 -6.4550 PRESSURE: 4000 -56.1939 -20.0377 218.814 -20.0386 -275.481 -44.0168 218.814 -44.017 -230.945 GPRESSURE: 4000 -32.4359 -3.29715 175.59 -8.79327 -228.138 -92.7721 165.801 48.1123 -199.3 PRESSAVG: 4000 20.0427 -1.17615 -8.10709 -1.17615 -58.727 7.17051 -8.10707 7.17059 27.1209 GPRESSAVG: 4000 20.6402 0.335766 -10.9783 -0.0933435 -59.3187 5.6862 -5.04338 6.92114 27.1683 TIMING: 4000 CPU: 11.8289, 0.00291212/step Wall: 11.8289, 0.00291212/step, 4.04137 hours remaining, 194.089844 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: 4000 749.0092 2162.3897 1974.4364 113.7626 -206328.9352 17608.2653 0.0000 0.0000 34147.7089 -149573.3630 298.2204 -183721.0719 -149478.3905 297.6930 -187.5400 -153.2915 557090.0305 -3.8545 -3.8367 PRESSURE: 4200 -8.92643 113.612 -14.8412 113.612 254.196 71.9985 -14.8417 71.9973 197.242 GPRESSURE: 4200 2.47485 -8.95716 -50.7316 166.387 274.235 56.2757 71.5379 107.907 235.484 PRESSAVG: 4200 -7.85541 27.7403 -9.26236 27.7403 -10.4114 10.6322 -9.26234 10.6322 35.4078 GPRESSAVG: 4200 -9.28324 27.465 -7.49502 26.8711 -8.47585 11.0423 -10.0176 11.1228 35.0484 TIMING: 4200 CPU: 12.4086, 0.00289842/step Wall: 12.4086, 0.00289842/step, 4.0222 hours remaining, 194.175781 MB of memory in use. ENERGY: 4200 747.5667 2118.7622 1973.2541 117.0446 -206431.4503 17963.9578 0.0000 0.0000 34053.9025 -149456.9624 297.4012 -183510.8649 -149360.8283 298.2896 147.5039 170.7312 555248.7911 5.7137 5.7631 LDB: ============= START OF LOAD BALANCING ============== 15.8736 LDB: ============== END OF LOAD BALANCING =============== 15.8738 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15.8753 LDB: ============= START OF LOAD BALANCING ============== 16.166 LDB: Largest compute 4827 load 0.027523 is 23.5% of average load 0.117000 LDB: Average compute 0.001714 is 1.5% of average load 0.117000 LDB: TIME 16.1683 LOAD: AVG 0.117 MAX 0.177214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 195.328 MB LDB: TIME 16.1686 LOAD: AVG 0.117 MAX 0.177214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 195.352 MB LDB: TIME 16.1687 LOAD: AVG 0.117 MAX 0.177214 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 195.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 16.1706 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.1747 PRESSURE: 4400 110.163 -213.477 281.921 -213.478 -38.1847 122.939 281.92 122.939 200.478 GPRESSURE: 4400 152.719 -145.605 205.39 -213.466 -59.3276 206.996 197.241 84.0803 278.032 PRESSAVG: 4400 -28.7209 -22.0191 -19.2865 -22.019 -23.0906 -10.1394 -19.2865 -10.1393 55.8619 GPRESSAVG: 4400 -28.1979 -23.5626 -18.93 -21.4059 -23.4625 -8.96614 -22.8224 -12.2865 55.8237 TIMING: 4400 CPU: 12.9994, 0.00295428/step Wall: 12.9994, 0.00295428/step, 4.09956 hours remaining, 195.589844 MB of memory in use. ENERGY: 4400 760.8908 2098.5472 1991.0801 127.9839 -206330.9775 17909.7258 0.0000 0.0000 34008.4463 -149434.3034 297.0042 -183442.7497 -149345.7039 298.6740 90.8188 123.8078 556958.0593 1.3502 1.3878 PRESSURE: 4600 258.209 4.57164 0.664294 4.57182 -236.431 70.1009 0.664333 70.1013 256.61 GPRESSURE: 4600 236.505 -20.4003 67.9407 27.5331 -143.751 86.5604 -60.977 62.3375 280.504 PRESSAVG: 4600 33.789 -0.299898 -10.0024 -0.299848 -0.190462 -15.8586 -10.0025 -15.8585 -3.26853 GPRESSAVG: 4600 34.1786 0.29988 -10.1863 0.302936 -0.31593 -17.8869 -7.26534 -14.1239 -3.62307 TIMING: 4600 CPU: 13.5803, 0.00290439/step Wall: 13.5803, 0.00290439/step, 4.03016 hours remaining, 195.832031 MB of memory in use. ENERGY: 4600 732.2465 2119.1400 1987.6580 114.4628 -206683.8776 18121.5844 0.0000 0.0000 34227.9921 -149380.7938 298.9216 -183608.7859 -149283.5308 298.2049 92.7961 124.4192 556825.9550 10.1100 10.0799 PRESSURE: 4800 44.3538 32.9983 73.8766 32.9983 -173.364 26.0141 73.8763 26.0141 -64.6271 GPRESSURE: 4800 54.8439 -27.348 60.9252 22.9189 -145.791 -46.3684 78.709 77.2595 -14.7521 PRESSAVG: 4800 32.3057 39.129 26.4841 39.1289 -0.451183 7.60268 26.4841 7.60269 -45.0592 GPRESSAVG: 4800 32.4137 37.9153 24.732 38.65 0.223208 8.17999 25.9609 5.35651 -45.2569 TIMING: 4800 CPU: 14.1607, 0.0029018/step Wall: 14.1607, 0.0029018/step, 4.02641 hours remaining, 195.832031 MB of memory in use. ENERGY: 4800 739.5111 2137.4559 1967.9222 119.9105 -206251.3148 17900.4464 0.0000 0.0000 34202.4485 -149183.6203 298.6985 -183386.0688 -149090.1886 299.2009 -64.5456 -35.2330 558860.0840 -4.4016 -4.2067 PRESSURE: 5000 -415.251 -52.7051 89.3543 -52.7051 -82.3931 36.0184 89.3538 36.0189 -266.133 GPRESSURE: 5000 -276.175 -66.3053 -6.35986 -57.5553 -137.949 24.5157 83.1159 48.5246 -248.138 PRESSAVG: 5000 -50.937 -7.39572 39.2934 -7.39571 60.8029 -62.3681 39.2933 -62.3681 -11.2622 GPRESSAVG: 5000 -50.9582 -5.06318 41.6524 -8.77164 60.2586 -61.7184 39.1768 -60.837 -10.4654 TIMING: 5000 CPU: 14.7425, 0.00290931/step Wall: 14.7425, 0.00290931/step, 4.03666 hours remaining, 195.832031 MB of memory in use. ENERGY: 5000 750.9398 2110.6917 1958.0318 108.6715 -205937.4246 17559.0199 0.0000 0.0000 34287.1499 -149162.9200 299.4382 -183450.0699 -149064.3580 299.1878 -254.5924 -220.7538 559119.7855 -0.4654 -0.3883 PRESSURE: 5200 -248.145 -179.588 44.545 -179.587 -126.918 -1.95074 44.5452 -1.94981 201.55 GPRESSURE: 5200 -239.889 -214.393 -40.5833 -161.1 -77.9501 -51.3017 142.738 -8.51411 238.972 PRESSAVG: 5200 -53.4836 -19.2658 7.89408 -19.2658 31.4186 -1.54465 7.89409 -1.54481 51.8456 GPRESSAVG: 5200 -54.104 -19.9555 5.4347 -18.7129 32.7061 -2.06195 9.85297 -1.63488 50.82 TIMING: 5200 CPU: 15.3234, 0.00290437/step Wall: 15.3234, 0.00290437/step, 4.02965 hours remaining, 195.832031 MB of memory in use. ENERGY: 5200 730.4786 2085.1480 1968.2577 111.3457 -206176.2352 17906.6802 0.0000 0.0000 34275.7208 -149098.6041 299.3384 -183374.3249 -148993.7341 299.4778 -57.8374 -26.2889 559729.6422 9.9269 9.8074 PRESSURE: 5400 6.32789 -0.799574 20.7247 -0.798352 -119.298 -44.7507 20.7239 -44.7508 -271.358 GPRESSURE: 5400 86.4555 -2.3559 75.1778 -78.9799 -126.614 -66.3324 18.1519 17.013 -251.873 PRESSAVG: 5400 11.0338 -39.0031 23.4678 -39.003 4.37415 -52.9313 23.4679 -52.9313 -38.8161 GPRESSAVG: 5400 11.4063 -40.6722 23.8396 -37.2478 3.08987 -52.6395 21.42 -52.7869 -38.446 TIMING: 5400 CPU: 15.9069, 0.00291757/step Wall: 15.9069, 0.00291757/step, 4.04781 hours remaining, 195.960938 MB of memory in use. ENERGY: 5400 744.5494 2147.7249 1960.6266 112.7311 -206054.8496 17628.1960 0.0000 0.0000 34454.4888 -149006.5327 300.8996 -183461.0216 -148917.6433 300.0164 -128.1097 -97.3439 556969.3885 -7.8027 -7.9833 PRESSURE: 5600 91.6456 123.742 -55.1614 123.742 29.8825 1.14179 -55.1616 1.14248 166.693 GPRESSURE: 5600 129.994 17.5903 -117.556 92.9892 75.9715 40.0376 20.9025 49.6425 180.249 PRESSAVG: 5600 40.881 57.1529 42.6752 57.153 -17.6046 -48.5538 42.6752 -48.5538 2.88677 GPRESSAVG: 5600 41.3665 62.3181 42.7003 54.4926 -17.5783 -46.7014 43.1319 -48.8749 2.62124 TIMING: 5600 CPU: 16.4901, 0.00291585/step Wall: 16.4901, 0.00291585/step, 4.04526 hours remaining, 195.957031 MB of memory in use. ENERGY: 5600 802.8050 2108.6395 1988.3431 110.6208 -206157.7236 17934.9353 0.0000 0.0000 34085.2006 -149127.1793 297.6745 -183212.3799 -149029.3157 299.7005 96.0736 128.7383 556791.1734 8.7210 8.8031 PRESSURE: 5800 -205.041 -134.865 40.9696 -134.866 -137.38 -99.5981 40.9705 -99.5983 -24.4381 GPRESSURE: 5800 -176.845 -133.534 -31.8798 -107.113 -189.932 -145.61 113.135 -0.199422 87.2881 PRESSAVG: 5800 -37.5361 -17.9445 -52.1632 -17.9445 -10.7292 -6.32565 -52.1631 -6.32574 27.7761 GPRESSAVG: 5800 -38.8698 -22.6424 -52.6322 -17.4963 -10.5284 -6.26513 -51.8512 -6.56143 28.8417 TIMING: 5800 CPU: 17.0711, 0.00290513/step Wall: 17.0711, 0.00290513/step, 4.03023 hours remaining, 196.125000 MB of memory in use. ENERGY: 5800 719.7668 2110.7060 1996.2046 103.7454 -205680.1733 17503.4247 0.0000 0.0000 34058.1551 -149188.1708 297.4383 -183246.3259 -149088.5673 298.7100 -122.2865 -93.1628 557657.4190 -6.8297 -6.8522 PRESSURE: 6000 7.7987 84.8742 -107.663 84.8741 -269.003 56.7044 -107.663 56.7053 -24.7902 GPRESSURE: 6000 60.2328 57.197 -186.312 65.1415 -239.014 67.7569 -187.781 107.945 -7.3993 PRESSAVG: 6000 -27.969 2.69984 -61.3865 2.69983 -42.2578 6.19002 -61.3866 6.19002 48.1124 GPRESSAVG: 6000 -26.1872 2.41662 -62.1203 4.46418 -42.9707 7.03699 -60.9068 5.32395 46.9529 TIMING: 6000 CPU: 17.6573, 0.00293107/step Wall: 17.6573, 0.00293107/step, 4.06605 hours remaining, 196.136719 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: 6000 708.7891 2087.2737 1972.9131 115.4062 -206062.3834 17691.7815 0.0000 0.0000 34411.1050 -149075.1148 300.5207 -183486.2198 -148975.0485 299.5400 -95.3315 -62.0602 557146.8037 -7.3715 -7.4017 PRESSURE: 6200 107.824 67.5391 -70.4694 67.5399 86.1887 -36.1376 -70.4683 -36.1382 -11.0857 GPRESSURE: 6200 98.5031 8.32484 -137.801 23.2848 157.595 -20.958 -116.445 -6.52353 28.8039 PRESSAVG: 6200 24.1635 2.36739 -6.90942 2.36729 32.2821 -0.853237 -6.9094 -0.853342 -32.6565 GPRESSAVG: 6200 23.0514 2.72046 -4.85567 2.93526 32.2878 -2.59134 -12.0613 1.06165 -31.6867 TIMING: 6200 CPU: 18.2411, 0.00291875/step Wall: 18.2411, 0.00291875/step, 4.04879 hours remaining, 196.136719 MB of memory in use. ENERGY: 6200 742.7611 2085.7203 1982.7853 112.2030 -206128.1423 17777.9609 0.0000 0.0000 34519.3368 -148907.3750 301.4660 -183426.7117 -148807.4313 300.2247 60.9755 94.9674 556651.7394 7.9297 7.8841 PRESSURE: 6400 -10.7328 -38.9463 -65.3979 -38.946 128.68 -57.2389 -65.3987 -57.2385 32.4264 GPRESSURE: 6400 -17.0359 -42.8776 -87.3384 -75.0943 140.885 -60.5676 -43.6558 -82.9722 121.793 PRESSAVG: 6400 -48.691 -35.7478 -18.3311 -35.7479 1.16951 50.859 -18.3312 50.859 40.2885 GPRESSAVG: 6400 -47.3595 -36.2748 -19.7422 -34.7726 1.53865 49.3333 -13.7349 50.9699 39.0799 TIMING: 6400 CPU: 18.8244, 0.00291641/step Wall: 18.8244, 0.00291641/step, 4.04538 hours remaining, 196.136719 MB of memory in use. ENERGY: 6400 756.3151 2042.6341 1971.3618 106.0146 -206064.8629 17784.1839 0.0000 0.0000 34457.5446 -148946.8088 300.9263 -183404.3534 -148859.7825 299.8410 50.1244 81.8808 555897.5411 -2.4110 -2.2470 PRESSURE: 6600 -95.7044 -139.418 -77.0952 -139.418 -7.32119 -84.5311 -77.0953 -84.5321 197.225 GPRESSURE: 6600 -121.709 -76.0364 -113.224 -161.859 102.25 -56.2162 -11.0785 -131.734 212.012 PRESSAVG: 6600 69.9127 -1.61514 60.2005 -1.61515 -36.1512 -58.7042 60.2007 -58.7042 -45.5436 GPRESSAVG: 6600 69.4313 0.508106 61.9109 -4.64822 -36.2067 -57.1993 58.9787 -60.6625 -44.9261 TIMING: 6600 CPU: 19.407, 0.00291332/step Wall: 19.407, 0.00291332/step, 4.04094 hours remaining, 196.140625 MB of memory in use. ENERGY: 6600 756.0703 2086.2782 1978.8524 117.8103 -206135.3611 18017.3969 0.0000 0.0000 34133.3423 -149045.6108 298.0950 -183178.9530 -148944.5127 299.2432 31.3998 64.1842 558168.6813 -3.9274 -3.9005 PRESSURE: 6800 -119.299 -92.1753 -58.9058 -92.174 -153.027 -48.8611 -58.9047 -48.8614 4.10827 GPRESSURE: 6800 -33.3209 -141.161 -26.9869 -74.1762 -167.306 -117.319 -58.088 0.350656 18.4709 PRESSAVG: 6800 13.5072 4.07847 -15.9085 4.07845 -88.6957 -31.1161 -15.9084 -31.1161 90.8807 GPRESSAVG: 6800 13.1894 3.99009 -16.916 6.33629 -88.6765 -31.3861 -15.935 -31.0272 91.2605 TIMING: 6800 CPU: 19.9933, 0.00293144/step Wall: 19.9933, 0.00293144/step, 4.0659 hours remaining, 196.140625 MB of memory in use. ENERGY: 6800 730.6258 2139.6797 1989.4973 102.4839 -205220.6407 17288.2628 0.0000 0.0000 33941.5721 -149028.5191 296.4202 -182970.0912 -148928.5765 298.8493 -89.4058 -60.7186 557525.0292 5.2308 5.2578 PRESSURE: 7000 -60.8703 -104.932 153.704 -104.931 150.53 66.839 153.704 66.8401 122.729 GPRESSURE: 7000 -21.6461 -13.7546 156.259 -96.9557 137.487 88.2189 126.794 49.7864 182.822 PRESSAVG: 7000 0.201245 -12.3905 6.84075 -12.3905 8.69954 32.1524 6.8408 32.1524 15.7919 GPRESSAVG: 7000 0.433862 -11.6031 7.71614 -14.6576 8.575 32.6009 7.35721 32.8064 16.0386 TIMING: 7000 CPU: 20.573, 0.0028985/step Wall: 20.573, 0.0028985/step, 4.02005 hours remaining, 196.140625 MB of memory in use. ENERGY: 7000 723.8319 2104.7180 2018.2203 118.2252 -205895.5119 17866.9326 0.0000 0.0000 34286.1181 -148777.4658 299.4292 -183063.5839 -148681.7173 299.6501 70.7963 99.5543 557086.6484 8.2309 8.3492 PRESSURE: 7200 139.104 -52.5873 -42.229 -52.5871 283.632 -32.0705 -42.2294 -32.0713 4.43995 GPRESSURE: 7200 196.999 -20.1429 -33.6764 33.9141 234.148 8.91514 -66.6043 -0.156171 89.313 PRESSAVG: 7200 -25.3074 13.9683 -45.6603 13.9682 -20.0782 36.897 -45.6603 36.8969 34.006 GPRESSAVG: 7200 -24.2479 13.1876 -44.7383 14.8484 -20.9752 33.2507 -46.9515 39.1405 34.2697 TIMING: 7200 CPU: 21.1534, 0.0029018/step Wall: 21.1534, 0.0029018/step, 4.02448 hours remaining, 196.140625 MB of memory in use. ENERGY: 7200 737.7969 2120.3232 2006.7271 108.6774 -206414.1421 17995.2629 0.0000 0.0000 34530.6678 -148914.6869 301.5649 -183445.3547 -148813.8791 299.9436 142.3919 173.4867 556137.4801 -3.7932 -3.6511 PRESSURE: 7400 -268.554 22.6013 101.178 22.6015 -390.944 99.4049 101.177 99.4056 -74.1284 GPRESSURE: 7400 -237.851 -75.3478 84.9709 67.1186 -300.979 75.5499 24.0858 144.612 -90.6682 PRESSAVG: 7400 102.054 -0.943514 -71.5141 -0.943572 -116.907 -61.9314 -71.5142 -61.9313 -7.87448 GPRESSAVG: 7400 102.261 -2.22252 -72.7633 -0.159866 -115.278 -59.8918 -70.6144 -63.4797 -9.70005 TIMING: 7400 CPU: 21.7296, 0.00288104/step Wall: 21.7296, 0.00288104/step, 3.99552 hours remaining, 196.140625 MB of memory in use. ENERGY: 7400 780.0523 2036.6100 1994.3568 124.3846 -205517.2862 17406.1356 0.0000 0.0000 34235.8344 -148939.9125 298.9901 -183175.7470 -148831.0889 299.1831 -244.5423 -209.8329 558379.4968 -7.5757 -7.5722 PRESSURE: 7600 -290.132 37.2851 -116.556 37.2841 -217.163 57.3249 -116.556 57.324 -24.0775 GPRESSURE: 7600 -294.61 -9.71521 -78.3548 50.3294 -206.077 35.8822 -171.698 49.5441 71.0061 PRESSAVG: 7600 77.6564 -4.90987 -40.4952 -4.90983 -58.1947 26.2378 -40.4952 26.2378 0.399284 GPRESSAVG: 7600 76.0714 -5.4291 -40.4582 -5.87553 -58.4082 29.6608 -41.6741 24.0657 2.15985 TIMING: 7600 CPU: 22.3071, 0.00288752/step Wall: 22.3071, 0.00288752/step, 4.00435 hours remaining, 196.140625 MB of memory in use. ENERGY: 7600 749.5123 2094.0953 1992.8980 111.3119 -205800.5774 17643.7803 0.0000 0.0000 34392.8584 -148816.1212 300.3614 -183208.9796 -148722.9304 299.6385 -177.1242 -143.2271 557867.1594 6.6203 6.6077 PRESSURE: 7800 254.184 -21.2303 -168.392 -21.2313 -167.023 151.966 -168.392 151.966 -96.3799 GPRESSURE: 7800 270.285 -31.5892 -119.965 -0.656793 -124.168 106.147 -296.474 174.136 -59.3771 PRESSAVG: 7800 16.7057 24.413 -25.592 24.4129 11.6075 15.7067 -25.5919 15.7068 -12.7087 GPRESSAVG: 7800 17.8554 23.442 -24.551 26.2224 11.8706 12.5123 -26.7172 15.9597 -13.6178 TIMING: 7800 CPU: 22.8864, 0.00289671/step Wall: 22.8864, 0.00289672/step, 4.01694 hours remaining, 196.144531 MB of memory in use. ENERGY: 7800 754.1202 2088.8913 1964.4721 113.7958 -206247.0358 17988.0067 0.0000 0.0000 34495.2496 -148842.5001 301.2556 -183337.7497 -148741.4544 300.3551 -3.0729 28.9134 558070.4389 5.2015 5.3694 PRESSURE: 8000 25.1578 2.44035 -6.82914 2.43995 -72.8738 60.6071 -6.82973 60.6066 -95.8133 GPRESSURE: 8000 40.0549 53.3165 -3.32705 28.6069 17.9863 44.3248 59.1294 20.6738 -97.2833 PRESSAVG: 8000 -33.5918 -1.75262 18.5523 -1.75258 31.8161 -28.2226 18.5523 -28.2227 -41.7229 GPRESSAVG: 8000 -34.419 -1.64435 19.0319 -2.31512 32.3163 -28.0302 19.4056 -26.8005 -41.5738 TIMING: 8000 CPU: 23.4611, 0.00287357/step Wall: 23.4611, 0.00287357/step, 3.98468 hours remaining, 196.144531 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: 8000 734.0940 2110.5668 1995.9141 115.0786 -205811.6460 17804.7846 0.0000 0.0000 34269.7025 -148781.5053 299.2858 -183051.2078 -148696.4013 299.8824 -47.8431 -13.0807 559436.0333 -14.4995 -14.5588 PRESSURE: 8200 204.494 -68.1534 -46.0691 -68.1529 122.607 24.9057 -46.0691 24.9063 336.877 GPRESSURE: 8200 209.323 -106.29 -26.9545 -95.0071 144.225 90.9884 -88.4354 -94.9849 402.841 PRESSAVG: 8200 6.64237 -24.2965 28.0119 -24.2965 -50.7861 -38.9027 28.012 -38.9025 22.2446 GPRESSAVG: 8200 6.20396 -23.4679 26.1516 -24.9384 -50.7636 -37.5974 28.1118 -39.6055 22.8299 TIMING: 8200 CPU: 24.036, 0.00287435/step Wall: 24.036, 0.00287435/step, 3.9856 hours remaining, 196.152344 MB of memory in use. ENERGY: 8200 763.7698 2080.9966 1993.3836 107.2151 -206461.3179 18273.0138 0.0000 0.0000 34385.9820 -148856.9570 300.3013 -183242.9390 -148767.5612 299.7943 221.3261 252.1297 556253.1064 -7.2997 -7.2433 LDB: ============= START OF LOAD BALANCING ============== 27.5032 LDB: ============== END OF LOAD BALANCING =============== 27.5034 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 27.505 LDB: ============= START OF LOAD BALANCING ============== 27.796 LDB: Largest compute 4820 load 0.027926 is 23.9% of average load 0.117067 LDB: Average compute 0.001710 is 1.5% of average load 0.117067 LDB: TIME 27.7984 LOAD: AVG 0.117067 MAX 0.177916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 195.629 MB LDB: TIME 27.7987 LOAD: AVG 0.117067 MAX 0.177916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 195.758 MB LDB: TIME 27.7988 LOAD: AVG 0.117067 MAX 0.177916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 195.758 MB LDB: ============== END OF LOAD BALANCING =============== 27.8006 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 27.8044 PRESSURE: 8400 57.6871 -48.2899 -101.236 -48.2905 30.5086 -6.56834 -101.237 -6.57007 5.53127 GPRESSURE: 8400 64.5253 -52.5959 -121.665 39.6825 24.9315 -19.8735 -122.181 50.2424 92.8581 PRESSAVG: 8400 12.3415 21.2649 -4.39178 21.2649 5.08076 -29.4498 -4.39176 -29.4498 27.0599 GPRESSAVG: 8400 13.3212 19.7666 -3.96409 21.8142 4.33234 -30.9116 -4.09507 -28.1676 27.2108 TIMING: 8400 CPU: 24.6292, 0.002966/step Wall: 24.6292, 0.002966/step, 4.11252 hours remaining, 197.171875 MB of memory in use. ENERGY: 8400 713.2497 2076.1346 1992.1477 111.0470 -205987.5455 17887.5169 0.0000 0.0000 34301.0204 -148906.4293 299.5593 -183207.4497 -148808.4059 299.6244 31.2423 60.7716 558592.6992 14.8274 14.9548 PRESSURE: 8600 -257.727 -1.84406 81.3501 -1.84475 -300.87 112.98 81.3498 112.979 -132.495 GPRESSURE: 8600 -230.152 -54.5434 38.1254 -17.5704 -277.228 166.052 9.97158 87.5105 -66.8531 PRESSAVG: 8600 -27.4464 51.9618 -6.47062 51.9619 -27.8783 -16.0012 -6.47062 -16.0011 6.54863 GPRESSAVG: 8600 -28.3344 53.078 -7.19452 51.8339 -26.5962 -15.4003 -8.47143 -16.2543 6.2044 TIMING: 8600 CPU: 25.2127, 0.00291751/step Wall: 25.2127, 0.00291751/step, 4.04513 hours remaining, 197.375000 MB of memory in use. ENERGY: 8600 758.4853 2050.4263 1971.3819 110.0995 -205761.3040 17630.7842 0.0000 0.0000 34200.0154 -149040.1114 298.6772 -183240.1268 -148942.8720 299.0663 -230.3637 -191.4108 559341.0156 -16.2587 -16.2420 PRESSURE: 8800 -74.3285 -27.3763 -115.331 -27.375 -161.564 59.8295 -115.331 59.8295 -16.6393 GPRESSURE: 8800 -6.89602 -50.8511 -59.4992 -29.629 -204.086 18.6544 -77.6405 84.2057 45.8443 PRESSAVG: 8800 -19.4729 53.636 -45.5823 53.6361 4.32639 39.7409 -45.5822 39.7409 12.7746 GPRESSAVG: 8800 -18.5231 54.2448 -45.6467 54.1546 4.20372 38.3985 -42.9494 39.8473 11.8489 TIMING: 8800 CPU: 25.7967, 0.00292001/step Wall: 25.7967, 0.00292001/step, 4.04844 hours remaining, 197.375000 MB of memory in use. ENERGY: 8800 784.0856 2091.1103 1970.6006 114.5441 -206032.4326 17815.7555 0.0000 0.0000 34190.7431 -149065.5934 298.5963 -183256.3365 -148969.3593 298.6796 -84.1772 -55.0460 557186.7472 -0.7906 -0.8235 PRESSURE: 9000 146.281 118.117 49.68 118.118 27.9551 37.9219 49.6798 37.9229 76.2389 GPRESSURE: 9000 167.643 100.831 25.2824 176.604 92.0693 131.619 43.9388 74.3558 86.0995 PRESSAVG: 9000 37.9489 33.6362 9.84005 33.6362 -68.6773 34.3805 9.83999 34.3804 53.6212 GPRESSAVG: 9000 37.8743 33.2122 10.6808 33.6586 -69.2237 36.4483 9.76426 33.0314 54.3856 TIMING: 9000 CPU: 26.3719, 0.00287595/step Wall: 26.3719, 0.00287595/step, 3.98719 hours remaining, 197.375000 MB of memory in use. ENERGY: 9000 720.5422 2129.4311 1979.5932 110.0616 -206174.6848 17797.5146 0.0000 0.0000 34253.9869 -149183.5552 299.1486 -183437.5421 -149082.6133 298.6382 83.4918 115.2706 557418.9857 7.6309 7.6787 PRESSURE: 9200 71.4175 -139.251 131.56 -139.252 -113.415 152.521 131.559 152.522 -275.893 GPRESSURE: 9200 79.1127 -117.03 106.479 -138.881 -63.785 128.337 202.876 170.007 -224.918 PRESSAVG: 9200 -14.9966 18.918 -23.0029 18.9181 -4.38147 -43.1842 -23.0029 -43.1841 -3.29458 GPRESSAVG: 9200 -14.2371 18.7816 -23.0944 18.221 -4.47579 -46.2815 -23.5052 -42.5435 -3.89631 TIMING: 9200 CPU: 26.951, 0.00289551/step Wall: 26.951, 0.00289551/step, 4.01415 hours remaining, 197.375000 MB of memory in use. ENERGY: 9200 758.3022 2043.9188 1978.4949 123.4045 -206275.4335 17729.8530 0.0000 0.0000 34375.1318 -149266.3283 300.2066 -183641.4601 -149172.3507 298.7025 -105.9636 -69.8634 557017.1024 -7.5576 -7.5364 PRESSURE: 9400 -258.566 90.2046 55.6523 90.2037 47.8019 -96.1174 55.6509 -96.1173 34.021 GPRESSURE: 9400 -254.129 90.374 46.1333 53.6101 102.235 -123.905 70.3837 -95.5626 69.4051 PRESSAVG: 9400 25.1827 -0.976752 5.34884 -0.97679 21.8999 5.26251 5.34886 5.26253 -56.7397 GPRESSAVG: 9400 24.67 1.10723 5.62886 -3.41771 22.6093 5.51264 4.15466 6.39538 -56.433 TIMING: 9400 CPU: 27.5275, 0.0028823/step Wall: 27.5275, 0.0028823/step, 3.99567 hours remaining, 197.375000 MB of memory in use. ENERGY: 9400 760.2076 2094.6072 1985.8751 133.8887 -206191.1684 17775.3961 0.0000 0.0000 34134.7104 -149306.4833 298.1069 -183441.1937 -149211.9550 298.6591 -58.9144 -27.4962 556639.8565 -3.2190 -3.0512 PRESSURE: 9600 -187.149 28.067 52.8282 28.0666 55.8999 -45.4022 52.8297 -45.402 -327.805 GPRESSURE: 9600 -195.378 -7.18514 82.9935 -2.89793 93.5421 -115.25 -1.60051 -74.79 -264.79 PRESSAVG: 9600 16.7561 -37.5401 -4.35364 -37.5402 50.7671 -13.5332 -4.35357 -13.5333 -36.8137 GPRESSAVG: 9600 17.2018 -38.8918 -5.11978 -35.6192 49.346 -13.5208 -4.10595 -14.732 -36.4519 TIMING: 9600 CPU: 28.1076, 0.00290062/step Wall: 28.1076, 0.00290062/step, 4.0209 hours remaining, 197.375000 MB of memory in use. ENERGY: 9600 725.1054 2072.6314 1989.4615 105.1168 -205982.3966 17608.5221 0.0000 0.0000 34261.4735 -149220.0859 299.2140 -183481.5594 -149124.5020 298.5301 -153.0181 -122.2086 557494.3064 10.2365 10.0320 PRESSURE: 9800 -169.482 127.908 94.8766 127.908 -259.29 -85.6967 94.8745 -85.6974 -33.1805 GPRESSURE: 9800 -166.079 199.795 102.655 121.542 -263.187 -155.951 55.6127 -38.3133 62.0949 PRESSAVG: 9800 27.8828 -2.25143 48.8084 -2.25152 -6.80648 1.58486 48.8084 1.58481 -7.93446 GPRESSAVG: 9800 27.0293 -4.87779 50.0742 -0.771749 -6.21975 0.550435 47.087 2.18235 -7.14072 TIMING: 9800 CPU: 28.6828, 0.00287595/step Wall: 28.6828, 0.00287595/step, 3.98655 hours remaining, 197.375000 MB of memory in use. ENERGY: 9800 713.9890 2076.0922 1954.9943 123.4839 -205785.1421 17574.4661 0.0000 0.0000 34151.5673 -149190.5493 298.2541 -183342.1166 -149100.9257 299.5849 -153.9841 -122.3904 559170.9598 4.3806 4.5563 PRESSURE: 10000 -127.309 174.441 16.9388 174.44 -164.578 -16.9217 16.939 -16.9216 -218.548 GPRESSURE: 10000 -47.6626 99.4293 40.7982 232.15 -199.348 -89.296 41.1953 -29.5884 -169.124 PRESSAVG: 10000 1.71867 24.5539 -0.497272 24.554 -44.7808 24.2775 -0.497319 24.2775 21.7976 GPRESSAVG: 10000 2.12809 26.0491 -0.18012 21.5251 -45.2782 26.8407 2.13385 21.2962 21.7045 TIMING: 10000 CPU: 29.2592, 0.00288227/step Wall: 29.2592, 0.00288227/step, 3.99515 hours remaining, 197.375000 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: 10000 744.9854 2088.1318 1982.1150 112.2389 -205838.5194 17507.9987 0.0000 0.0000 34347.4618 -149055.5878 299.9649 -183403.0496 -148951.2145 298.4071 -170.1452 -138.7116 557742.2468 -7.0882 -7.1485 PRESSURE: 10200 -181.072 118.671 -42.6401 118.671 -99.2053 143.101 -42.6395 143.1 123.293 GPRESSURE: 10200 -153.407 84.7841 -54.3404 145.789 -120.472 125.364 -46.3723 146.122 221.333 PRESSAVG: 10200 42.202 -33.783 -49.2849 -33.7829 -29.0117 37.485 -49.2849 37.4849 0.511761 GPRESSAVG: 10200 42.3672 -34.1838 -49.3807 -31.8613 -28.6295 36.9376 -51.4365 40.6056 -0.13793 TIMING: 10200 CPU: 29.8396, 0.00290171/step Wall: 29.8396, 0.00290171/step, 4.02193 hours remaining, 197.375000 MB of memory in use. ENERGY: 10200 777.2743 2145.8185 1969.2292 127.3760 -206177.7544 17808.7935 0.0000 0.0000 34387.3933 -148961.8696 300.3137 -183349.2629 -148870.5603 299.6561 -52.3282 -17.5154 556947.1938 4.5674 4.5333 PRESSURE: 10400 -194.359 -127.251 -60.0795 -127.25 -88.7139 -167.836 -60.0787 -167.838 -72.4433 GPRESSURE: 10400 -149.689 -211.892 -49.5097 -105.354 -63.525 -90.5421 -40.0603 -253.283 -50.5322 PRESSAVG: 10400 -22.6699 33.867 18.4394 33.8671 21.822 9.46608 18.4395 9.46622 45.6101 GPRESSAVG: 10400 -23.3241 33.1168 19.5026 34.1548 21.2612 10.8083 18.447 9.11339 46.063 TIMING: 10400 CPU: 30.4217, 0.00291061/step Wall: 30.4217, 0.00291061/step, 4.03411 hours remaining, 197.375000 MB of memory in use. ENERGY: 10400 730.8679 2086.0107 1999.6914 108.6563 -205804.7670 17542.0584 0.0000 0.0000 34207.2353 -149130.2470 298.7403 -183337.4823 -149028.0207 300.1336 -118.5053 -87.9153 557434.0040 14.9207 14.6667 PRESSURE: 10600 13.7609 -11.5074 121.412 -11.5069 -174.784 -20.764 121.411 -20.7664 176.017 GPRESSURE: 10600 25.7049 -58.1417 107.874 -38.4419 -64.1104 75.6133 97.6136 -22.244 146.362 PRESSAVG: 10600 23.987 64.745 4.64442 64.7449 -35.6492 23.8417 4.6443 23.8418 -1.59617 GPRESSAVG: 10600 23.7299 64.5176 4.62674 65.2938 -34.1339 22.7008 5.28949 24.367 -3.01377 TIMING: 10600 CPU: 31.0038, 0.00291043/step Wall: 31.0038, 0.00291043/step, 4.0337 hours remaining, 197.375000 MB of memory in use. ENERGY: 10600 741.1125 2094.4931 1988.4531 123.5089 -206148.2895 17879.9912 0.0000 0.0000 34097.8366 -149222.8942 297.7849 -183320.7308 -149124.8098 299.0752 4.9980 35.9856 558632.4018 -4.4194 -4.4726 PRESSURE: 10800 -32.6146 -14.0501 96.3391 -14.0509 -410.58 -101.13 96.3382 -101.13 -74.331 GPRESSURE: 10800 -29.1989 -17.6552 17.6499 -96.448 -281.029 -15.8575 98.1468 -173.593 -119.42 PRESSAVG: 10800 10.9025 2.18492 8.25908 2.18494 -30.4955 12.6038 8.25907 12.6038 33.9004 GPRESSAVG: 10800 10.7727 4.34904 8.10627 -0.81812 -30.9866 13.4782 8.79976 10.1388 34.7715 TIMING: 10800 CPU: 31.5816, 0.00288916/step Wall: 31.5816, 0.00288916/step, 4.00406 hours remaining, 197.375000 MB of memory in use. ENERGY: 10800 759.7320 2109.3582 1985.8644 113.1491 -206105.0853 17592.3431 0.0000 0.0000 34351.3200 -149193.3185 299.9986 -183544.6385 -149106.0270 299.4965 -172.5085 -143.2161 558929.7726 4.7691 4.8525 PRESSURE: 11000 91.0752 -25.6661 107.007 -25.6652 -66.7729 -31.8697 107.007 -31.8692 -4.96249 GPRESSURE: 11000 125.605 -0.511509 152.013 -71.6112 -12.6264 15.6994 129.504 -68.1235 1.80343 PRESSAVG: 11000 15.0808 -16.8476 47.4869 -16.8475 2.51135 -6.66137 47.4869 -6.66143 -9.94133 GPRESSAVG: 11000 16.377 -16.786 49.1199 -16.2866 2.08446 -6.13716 46.7285 -5.80054 -9.59421 TIMING: 11000 CPU: 32.1596, 0.00288989/step Wall: 32.1596, 0.00288989/step, 4.00491 hours remaining, 197.375000 MB of memory in use. ENERGY: 11000 769.3984 2134.2280 1972.7680 111.1988 -206130.9532 17842.5663 0.0000 0.0000 34204.9482 -149095.8456 298.7203 -183300.7938 -148998.6960 299.1890 6.4466 38.2605 557844.3192 2.5503 2.9557 PRESSURE: 11200 -216.01 -20.5897 120.671 -20.5898 64.9927 185.777 120.67 185.778 -171.89 GPRESSURE: 11200 -225.739 75.8562 93.3451 -26.1766 109.512 172.967 116.641 97.0709 -96.0814 PRESSAVG: 11200 20.208 24.2377 17.411 24.2377 69.6877 25.8811 17.4109 25.8811 -79.2033 GPRESSAVG: 11200 19.763 22.4513 15.1864 26.646 69.3201 25.0735 16.4792 25.3606 -78.7575 TIMING: 11200 CPU: 32.7411, 0.0029076/step Wall: 32.7411, 0.0029076/step, 4.02928 hours remaining, 197.375000 MB of memory in use. ENERGY: 11200 779.0080 2094.3094 1971.3319 124.0960 -205852.5113 17708.5393 0.0000 0.0000 34368.1482 -148807.0785 300.1456 -183175.2267 -148708.8151 299.4709 -107.6358 -70.7694 559270.1509 3.5641 3.4419 PRESSURE: 11400 -140.303 191.603 11.4298 191.602 -177.716 21.8442 11.4284 21.8448 -237.187 GPRESSURE: 11400 -128.374 123.899 -40.6617 276.709 -157.664 34.8246 38.0485 25.0596 -181.951 PRESSAVG: 11400 -6.59782 36.4764 -11.4266 36.4763 22.0999 21.5652 -11.4265 21.5652 -39.7892 GPRESSAVG: 11400 -6.25927 36.4067 -11.8955 37.2797 21.773 22.7043 -10.0808 21.3291 -39.3328 TIMING: 11400 CPU: 33.3201, 0.00289482/step Wall: 33.3201, 0.00289482/step, 4.01142 hours remaining, 197.375000 MB of memory in use. ENERGY: 11400 762.4824 2096.6111 1980.0533 107.7955 -206078.4032 17775.8969 0.0000 0.0000 34399.8503 -148955.7138 300.4224 -183355.5641 -148852.7760 299.4419 -185.0687 -155.9962 558846.9681 -8.0957 -7.9397 PRESSURE: 11600 128.498 -93.2356 -15.5555 -93.2345 -76.2958 104.92 -15.5545 104.922 119.351 GPRESSURE: 11600 160.796 -65.114 10.8593 -143.411 -47.2269 175.705 -84.9291 74.2844 164.722 PRESSAVG: 11600 47.6415 27.4062 -26.0106 27.4061 -49.4577 -20.0311 -26.0106 -20.031 52.0177 GPRESSAVG: 11600 46.5065 29.9884 -24.3242 24.8859 -49.5059 -19.631 -25.326 -18.3859 53.3699 TIMING: 11600 CPU: 33.8939, 0.0028692/step Wall: 33.8939, 0.0028692/step, 3.97575 hours remaining, 197.375000 MB of memory in use. ENERGY: 11600 742.5031 2076.1549 1936.8612 108.1199 -206134.5916 17791.4353 0.0000 0.0000 34506.3408 -148973.1764 301.3525 -183479.5171 -148876.9896 299.0342 57.1844 92.7638 557221.0238 16.7338 16.7902 PRESSURE: 11800 98.0864 81.8925 -2.79978 81.8933 -208.291 -141.962 -2.80044 -141.963 -0.791884 GPRESSURE: 11800 114.201 75.2811 -62.0053 170.502 -141.315 -172.488 127.807 -114.503 14.4405 PRESSAVG: 11800 -18.928 -47.2905 19.8079 -47.2905 -49.7737 -17.9895 19.8079 -17.9895 22.0139 GPRESSAVG: 11800 -18.2838 -49.9167 18.893 -45.5067 -48.8873 -19.8944 19.9364 -18.5414 20.4455 TIMING: 11800 CPU: 34.4738, 0.00289929/step Wall: 34.4738, 0.00289929/step, 4.01728 hours remaining, 197.375000 MB of memory in use. ENERGY: 11800 765.0591 2066.4169 1975.4973 112.0211 -205671.0097 17646.1484 0.0000 0.0000 34205.1751 -148900.6919 298.7223 -183105.8669 -148799.9575 299.3882 -36.9988 -4.2245 557537.8075 -15.5626 -15.5752 PRESSURE: 12000 -204.556 -22.4887 -60.0285 -22.4897 -159.209 -54.4908 -60.028 -54.4919 -162.083 GPRESSURE: 12000 -243.578 26.0158 73.7774 8.37911 -127.933 -80.0887 -89.327 -16.4248 -61.35 PRESSAVG: 12000 -61.2515 42.4238 -80.4412 42.4238 11.2095 25.6187 -80.4412 25.6186 16.3048 GPRESSAVG: 12000 -60.9327 42.0053 -81.5805 43.2877 11.1554 27.3103 -80.0322 25.8448 16.3879 TIMING: 12000 CPU: 35.0542, 0.00290198/step Wall: 35.0542, 0.00290198/step, 4.02085 hours remaining, 197.375000 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: 12000 748.1904 2025.2225 1957.6192 109.0626 -205548.6229 17504.5533 0.0000 0.0000 34207.7559 -148996.2190 298.7448 -183203.9749 -148897.9731 299.5589 -175.2827 -144.2870 557091.0876 -11.2457 -11.1298 PRESSURE: 12200 82.1155 156.679 -86.1255 156.679 77.4855 -20.854 -86.1255 -20.8548 -61.8378 GPRESSURE: 12200 73.722 205.936 -92.7906 154.245 124.456 -21.6245 -32.7723 -29.4448 -0.245912 PRESSAVG: 12200 10.2726 60.6162 15.5267 60.6162 -1.81617 -6.40856 15.5266 -6.40855 30.0936 GPRESSAVG: 12200 9.43405 61.4088 16.6934 58.7706 -0.63925 -8.03173 15.488 -5.16118 30.2469 TIMING: 12200 CPU: 35.6319, 0.0028888/step Wall: 35.6319, 0.0028888/step, 4.00244 hours remaining, 197.375000 MB of memory in use. ENERGY: 12200 712.8712 2022.8005 1993.6787 113.0196 -205860.3692 17844.4464 0.0000 0.0000 34128.8202 -149044.7327 298.0555 -183173.5529 -148948.4866 298.9153 32.5877 65.9775 558737.9650 12.8500 13.0139 LDB: ============= START OF LOAD BALANCING ============== 39.0975 LDB: ============== END OF LOAD BALANCING =============== 39.0977 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.0993 LDB: ============= START OF LOAD BALANCING ============== 39.3914 LDB: Largest compute 4820 load 0.026716 is 22.8% of average load 0.117003 LDB: Average compute 0.001706 is 1.5% of average load 0.117003 LDB: TIME 39.3938 LOAD: AVG 0.117003 MAX 0.17652 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.957 MB LDB: TIME 39.3941 LOAD: AVG 0.117003 MAX 0.17652 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.988 MB LDB: TIME 39.3942 LOAD: AVG 0.117003 MAX 0.17652 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 39.3959 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.3999 PRESSURE: 12400 -168.3 8.66078 159.575 8.66092 -108.39 130.864 159.575 130.864 -87.5507 GPRESSURE: 12400 -180.643 82.8088 238.062 -141.386 -39.4547 146.331 129.039 95.8459 -60.6547 PRESSAVG: 12400 9.73852 44.7819 -45.5099 44.7819 2.9632 53.5025 -45.5099 53.5024 11.4501 GPRESSAVG: 12400 11.0559 45.6274 -45.7104 44.5837 1.63364 52.6271 -46.0283 54.2654 11.2151 TIMING: 12400 CPU: 36.2246, 0.00296333/step Wall: 36.2246, 0.00296333/step, 4.10553 hours remaining, 196.632812 MB of memory in use. ENERGY: 12400 685.4889 2075.5664 1973.0760 116.7380 -205557.7195 17428.1979 0.0000 0.0000 34130.6402 -149148.0121 298.0714 -183278.6524 -149050.5413 299.1864 -121.4136 -93.5842 557895.7066 8.0506 7.9682 PRESSURE: 12600 57.6693 -53.78 76.1422 -53.7806 67.9873 107.84 76.1405 107.84 -145.99 GPRESSURE: 12600 70.8045 18.0629 108.066 -91.5585 23.7338 103.802 18.5894 79.4314 -11.7027 PRESSAVG: 12600 -33.7476 7.05208 46.243 7.05195 45.621 16.2887 46.243 16.2887 -33.3637 GPRESSAVG: 12600 -34.9629 5.03639 47.0165 7.76424 46.6206 17.203 46.5706 14.6718 -33.3748 TIMING: 12600 CPU: 36.8034, 0.00289415/step Wall: 36.8034, 0.00289415/step, 4.00953 hours remaining, 196.835938 MB of memory in use. ENERGY: 12600 706.1933 2047.6357 1955.9222 104.5160 -206377.5367 17946.2538 0.0000 0.0000 34352.5379 -149264.4778 300.0093 -183617.0157 -149167.6016 299.2525 -6.7778 27.6119 557777.4699 -7.1634 -7.2390 PRESSURE: 12800 -15.8172 -83.6279 146.679 -83.6272 -95.0376 -48.3918 146.679 -48.3904 -29.2311 GPRESSURE: 12800 2.38392 -95.0819 124.188 -25.2449 -32.9571 -80.1097 95.6779 -35.666 -7.13095 PRESSAVG: 12800 -13.4893 -13.5135 -0.276981 -13.5136 -44.0292 1.75255 -0.27697 1.75241 21.7673 GPRESSAVG: 12800 -12.1609 -14.948 -1.22495 -13.9019 -44.5068 2.31291 -0.907302 1.76342 21.7567 TIMING: 12800 CPU: 37.3756, 0.00286062/step Wall: 37.3756, 0.00286062/step, 3.96291 hours remaining, 196.835938 MB of memory in use. ENERGY: 12800 716.2300 2079.0337 1955.8588 127.3537 -206384.6613 17765.5185 0.0000 0.0000 34355.5959 -149385.0708 300.0360 -183740.6667 -149288.5755 298.9612 -46.6953 -12.5681 557398.6955 -11.9171 -11.6370 PRESSURE: 13000 171.312 -52.8121 -36.3475 -52.8114 133.018 -72.9614 -36.3481 -72.9625 233.768 GPRESSURE: 13000 228.17 -66.364 -95.9823 -5.062 183.819 -97.2792 -43.1404 -66.1105 218.253 PRESSAVG: 13000 15.2178 -23.6971 14.5289 -23.6972 -6.71525 -29.1766 14.5289 -29.1765 34.0497 GPRESSAVG: 13000 14.3652 -22.351 13.4154 -24.0167 -6.03316 -29.5333 16.5502 -28.3959 33.719 TIMING: 13000 CPU: 37.9573, 0.00290871/step Wall: 37.9573, 0.00290871/step, 4.02937 hours remaining, 196.835938 MB of memory in use. ENERGY: 13000 699.5004 2078.0671 1953.4319 116.5256 -206666.5738 18096.5444 0.0000 0.0000 34272.0790 -149450.4255 299.3066 -183722.5045 -149358.5766 298.5468 179.3659 210.0805 557121.6929 14.1841 14.0170 PRESSURE: 13200 -241.647 -148.892 57.7923 -148.891 19.3556 47.5919 57.7921 47.5927 -264.494 GPRESSURE: 13200 -189.688 -145.227 29.6404 -244.078 49.9165 24.2599 29.3212 67.982 -249.03 PRESSAVG: 13200 -38.4028 14.3873 -34.1413 14.3874 4.47282 25.5633 -34.1413 25.5633 49.7321 GPRESSAVG: 13200 -38.6009 16.287 -34.6388 11.1625 4.841 24.5103 -36.1768 26.1478 49.2256 TIMING: 13200 CPU: 38.5348, 0.00288746/step Wall: 38.5348, 0.00288746/step, 3.99978 hours remaining, 196.835938 MB of memory in use. ENERGY: 13200 721.4959 2112.4242 1969.7782 122.9786 -205879.9254 17586.8783 0.0000 0.0000 34180.2052 -149186.1650 298.5042 -183366.3702 -149089.7805 298.7506 -162.2618 -129.6004 558380.4948 5.2674 5.1553 PRESSURE: 13400 -6.8579 -32.7195 -15.2901 -32.7195 -270.694 -27.0659 -15.2895 -27.0655 -266.663 GPRESSURE: 13400 -25.495 -32.64 8.06786 -18.5884 -230.531 -35.5584 21.8068 47.7747 -180.535 PRESSAVG: 13400 65.5483 -8.13464 -2.78314 -8.13478 -4.00887 -14.2343 -2.78313 -14.2342 -64.566 GPRESSAVG: 13400 66.3408 -10.6368 -0.701191 -5.22586 -4.44739 -13.2232 -2.23837 -15.3066 -64.7082 TIMING: 13400 CPU: 39.111, 0.00288086/step Wall: 39.111, 0.00288086/step, 3.99047 hours remaining, 196.835938 MB of memory in use. ENERGY: 13400 723.3840 2138.6986 1977.9402 121.2151 -206148.4871 17726.3495 0.0000 0.0000 34134.1657 -149326.7339 298.1022 -183460.8996 -149236.5244 298.8183 -181.4050 -145.5202 558835.1765 -1.0088 -0.9383 PRESSURE: 13600 -92.9101 -55.253 -9.18693 -55.2532 -80.2236 22.8082 -9.18733 22.8076 -380.701 GPRESSURE: 13600 -103.015 -32.1924 -14.9199 -77.4674 -45.999 1.65536 -55.2693 35.4134 -307.936 PRESSAVG: 13600 -53.3511 -4.91626 42.098 -4.91629 -2.17446 5.33407 42.098 5.33407 29.0284 GPRESSAVG: 13600 -54.9603 -2.21031 41.3548 -6.89371 -1.87243 4.76818 41.5767 5.20366 30.0329 TIMING: 13600 CPU: 39.6858, 0.0028742/step Wall: 39.6858, 0.0028742/step, 3.98109 hours remaining, 196.835938 MB of memory in use. ENERGY: 13600 768.9100 2069.7058 1960.5903 126.4794 -206238.0201 17768.2057 0.0000 0.0000 34325.4173 -149218.7116 299.7724 -183544.1288 -149113.8624 298.6564 -184.6117 -152.3167 557911.7656 -8.8324 -8.9332 PRESSURE: 13800 -56.7261 44.4263 112.789 44.4284 -192.177 26.5654 112.789 26.5652 -110.793 GPRESSURE: 13800 -11.1786 124.138 115.263 11.795 -168.615 -42.19 112.182 102.197 -93.8349 PRESSAVG: 13800 -33.4177 -40.7783 46.4083 -40.7783 21.75 34.7581 46.4082 34.7582 48.321 GPRESSAVG: 13800 -32.421 -40.8175 46.3784 -40.0592 22.1927 32.9559 45.3933 35.657 46.4363 TIMING: 13800 CPU: 40.2588, 0.00286501/step Wall: 40.2588, 0.00286501/step, 3.9682 hours remaining, 196.835938 MB of memory in use. ENERGY: 13800 759.4363 2123.6341 1975.8293 127.5631 -205972.4821 17546.5285 0.0000 0.0000 34222.4560 -149217.0348 298.8732 -183439.4908 -149118.5480 298.8579 -119.8987 -91.2094 557333.5014 12.2178 12.0693 PRESSURE: 14000 23.2476 -286.809 147.167 -286.809 -283.464 -126.834 147.167 -126.834 206.666 GPRESSURE: 14000 37.4134 -253.548 151.079 -172.293 -208.577 -103.555 160.565 -144.7 214.538 PRESSAVG: 14000 -17.1829 -6.53725 18.1846 -6.53725 31.6467 -9.31826 18.1847 -9.3183 -21.6388 GPRESSAVG: 14000 -16.9751 -6.0885 18.0258 -6.11065 30.383 -8.27928 20.1678 -10.7893 -20.4176 TIMING: 14000 CPU: 40.8382, 0.00289703/step Wall: 40.8382, 0.00289703/step, 4.01239 hours remaining, 196.835938 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: 14000 763.1449 2071.9540 2004.8982 108.8502 -206010.0349 17674.7495 0.0000 0.0000 34142.4616 -149243.9765 298.1746 -183386.4381 -149149.9600 298.8534 -17.8500 14.4584 557229.8701 -2.3917 -2.3366 PRESSURE: 14200 120.606 -19.6901 -57.2795 -19.6906 -91.9344 -4.63804 -57.279 -4.6373 -4.92285 GPRESSURE: 14200 124.346 -146.997 -66.1167 56.6486 -41.0829 -117.873 -51.3527 -37.7678 34.6259 PRESSAVG: 14200 -72.9091 -25.8715 -25.1325 -25.8714 56.198 5.31672 -25.1325 5.31679 11.7895 GPRESSAVG: 14200 -73.2711 -28.3593 -25.8384 -26.457 56.3701 6.77179 -27.2424 5.02136 11.4324 TIMING: 14200 CPU: 41.4173, 0.00289557/step Wall: 41.4173, 0.00289557/step, 4.01021 hours remaining, 196.835938 MB of memory in use. ENERGY: 14200 741.0757 2132.3159 2000.2514 115.2769 -206104.4215 17850.3070 0.0000 0.0000 34012.0960 -149253.0985 297.0361 -183265.1945 -149160.2454 298.3620 7.9161 39.2962 557261.1373 -1.6405 -1.8229 PRESSURE: 14400 -29.3031 -92.9368 -20.0001 -92.9359 -108.059 -34.577 -20 -34.578 16.2744 GPRESSURE: 14400 -35.441 -99.7138 -33.5026 -33.0345 -71.1692 -42.0253 42.3137 -4.61647 82.8872 PRESSAVG: 14400 -10.4189 -24.5712 -20.6924 -24.5712 17.0578 -25.9182 -20.6924 -25.9182 -17.5089 GPRESSAVG: 14400 -10.9857 -23.0732 -18.5561 -23.4042 17.3084 -24.9114 -18.9776 -26.2812 -16.7222 TIMING: 14400 CPU: 41.9996, 0.00291139/step Wall: 41.9996, 0.00291139/step, 4.03196 hours remaining, 196.835938 MB of memory in use. ENERGY: 14400 743.5652 2110.4273 1959.5721 107.2394 -206304.7735 17964.4508 0.0000 0.0000 34110.3093 -149309.2094 297.8938 -183419.5187 -149215.1009 298.2446 -40.3624 -7.9077 558330.5046 -3.6233 -3.4665 PRESSURE: 14600 39.81 -11.938 39.4702 -11.9375 13.9079 -37.5167 39.4707 -37.517 207.576 GPRESSURE: 14600 5.93145 35.0102 134.501 -16.6017 78.4001 -47.5014 -57.2879 28.9348 253.618 PRESSAVG: 14600 1.7389 -24.1366 -24.1843 -24.1365 51.7882 0.755599 -24.1843 0.755605 8.74805 GPRESSAVG: 14600 3.18035 -24.2603 -23.983 -24.9053 50.9593 -0.0835985 -26.0346 2.23379 8.27109 TIMING: 14600 CPU: 42.5768, 0.00288592/step Wall: 42.5768, 0.00288592/step, 3.99652 hours remaining, 196.835938 MB of memory in use. ENERGY: 14600 755.7262 2111.4896 1995.0809 115.7415 -206565.4844 18054.0154 0.0000 0.0000 34354.1079 -149179.3229 300.0230 -183533.4308 -149082.7578 299.4804 87.0980 112.6497 557775.9464 20.7584 20.8036 PRESSURE: 14800 -206.046 -92.7252 -153.475 -92.7252 61.5624 -6.22112 -153.475 -6.22187 108.354 GPRESSURE: 14800 -128.29 24.4966 -125.8 -85.0477 57.6905 -96.4564 -139.372 -11.4952 130.319 PRESSAVG: 14800 36.7393 -0.380832 -59.0219 -0.38085 -59.6209 26.2849 -59.022 26.2848 44.5451 GPRESSAVG: 14800 35.6275 -0.852367 -61.3219 -1.29406 -57.4208 24.1746 -58.9461 26.3113 43.7229 TIMING: 14800 CPU: 43.1533, 0.00288251/step Wall: 43.1533, 0.00288251/step, 3.99163 hours remaining, 196.835938 MB of memory in use. ENERGY: 14800 747.9875 2122.1754 2006.1186 125.7014 -205896.8700 17559.3260 0.0000 0.0000 34224.9176 -149110.6435 298.8947 -183335.5611 -149010.3549 298.9699 -12.0430 19.9062 556976.2134 7.2212 7.3099 PRESSURE: 15000 -29.0051 123.73 -80.1665 123.73 227.325 -105.369 -80.167 -105.371 -67.9088 GPRESSURE: 15000 -20.5123 31.465 -22.6429 163.176 288.858 -116.255 12.4525 -208.683 -33.1248 PRESSAVG: 15000 -44.8419 9.56542 -56.9693 9.56544 44.9 -10.2545 -56.9693 -10.2546 12.1629 GPRESSAVG: 15000 -45.3029 8.67093 -58.319 10.3333 43.2258 -7.59358 -54.5806 -11.9587 13.7149 TIMING: 15000 CPU: 43.7318, 0.00289269/step Wall: 43.7318, 0.00289269/step, 4.00557 hours remaining, 196.835938 MB of memory in use. ENERGY: 15000 741.9731 2138.9461 1991.7822 111.4345 -206114.1134 17850.9150 0.0000 0.0000 34175.5312 -149103.5313 298.4634 -183279.0625 -149005.8148 299.2046 43.4704 78.4071 557554.4579 4.0737 3.8793 PRESSURE: 15200 38.1514 65.8217 -79.7671 65.8222 337.942 53.2955 -79.7659 53.2944 312.348 GPRESSURE: 15200 51.341 102.598 -66.3533 50.0589 451.889 92.064 -100.359 80.8469 276.747 PRESSAVG: 15200 -17.2144 24.1861 -6.95166 24.1861 79.5895 -27.0868 -6.95169 -27.0869 -53.3583 GPRESSAVG: 15200 -17.5762 24.0025 -4.79711 24.6087 80.1585 -27.4209 -7.17196 -25.5026 -53.5275 TIMING: 15200 CPU: 44.3071, 0.00287627/step Wall: 44.3071, 0.00287627/step, 3.98268 hours remaining, 196.835938 MB of memory in use. ENERGY: 15200 736.7656 2160.4974 1987.4588 123.3349 -206248.1783 17955.9365 0.0000 0.0000 34232.7109 -149051.4743 298.9628 -183284.1851 -148957.7955 299.9519 229.4808 259.9924 556275.9537 3.0056 3.0183 PRESSURE: 15400 31.6467 62.7272 -26.7316 62.7283 -16.2285 94.2442 -26.7315 94.2425 -35.6241 GPRESSURE: 15400 47.517 21.5599 -69.7949 56.953 57.2577 117.626 18.9983 30.0687 -8.88996 PRESSAVG: 15400 4.12779 41.4901 4.84329 41.4902 -46.3582 0.911833 4.84335 0.91176 14.5535 GPRESSAVG: 15400 3.84597 39.8018 5.56606 43.2661 -46.5021 1.05096 2.41671 -0.530968 14.5646 TIMING: 15400 CPU: 44.885, 0.00288961/step Wall: 44.885, 0.00288961/step, 4.00098 hours remaining, 196.835938 MB of memory in use. ENERGY: 15400 749.7250 2124.0582 1984.7776 123.5087 -206588.4957 17962.2107 0.0000 0.0000 34412.2386 -149231.9770 300.5306 -183644.2155 -149137.0935 299.8543 -6.7353 31.9616 555504.8408 -9.2256 -9.3638 PRESSURE: 15600 141.229 6.61928 1.6259 6.62056 89.9005 25.8084 1.62551 25.8057 -276.728 GPRESSURE: 15600 151.974 -113.473 50.8895 6.19953 118.142 21.7948 6.93372 58.4711 -217.467 PRESSAVG: 15600 49.8497 47.9155 -14.0278 47.9155 21.7042 76.733 -14.0277 76.733 -5.67597 GPRESSAVG: 15600 51.1194 48.7451 -15.8882 45.6183 20.9474 76.3523 -11.1527 78.2572 -6.53009 TIMING: 15600 CPU: 45.4638, 0.00289407/step Wall: 45.4638, 0.00289407/step, 4.007 hours remaining, 196.835938 MB of memory in use. ENERGY: 15600 738.4192 2145.0192 1998.7367 107.5467 -206476.6784 17842.5605 0.0000 0.0000 34431.7933 -149212.6028 300.7014 -183644.3961 -149110.7451 299.2651 -15.1995 17.5499 555185.3952 21.9593 21.8456 PRESSURE: 15800 -124.046 -21.8892 18.2419 -21.8905 -89.1792 -68.7993 18.2427 -68.7991 -111.432 GPRESSURE: 15800 -93.5568 3.03293 56.7639 -52.7019 -90.5232 -139.312 -47.8508 -22.7329 -44.8712 PRESSAVG: 15800 -21.9767 -17.6194 -17.3549 -17.6193 0.496036 4.16733 -17.3549 4.16732 39.738 GPRESSAVG: 15800 -21.9399 -18.775 -15.0609 -15.6443 1.08762 3.51081 -18.3595 4.57446 39.8596 TIMING: 15800 CPU: 46.041, 0.00288595/step Wall: 46.041, 0.00288595/step, 3.99559 hours remaining, 196.835938 MB of memory in use. ENERGY: 15800 779.2020 2090.9040 2021.9560 124.0402 -206102.6741 17639.4456 0.0000 0.0000 34096.9322 -149350.1941 297.7770 -183447.1263 -149261.6404 299.9504 -108.2191 -76.3171 556262.7284 6.0858 6.3358 PRESSURE: 16000 49.2192 -146.541 -164.513 -146.542 28.2689 -125.935 -164.513 -125.935 -2.88574 GPRESSURE: 16000 64.7076 -38.2781 -140.08 -161.71 34.4243 -186.872 -238.281 -136.79 68.2639 PRESSAVG: 16000 53.704 38.2017 -20.3797 38.2016 9.43487 41.038 -20.3796 41.0381 -28.1146 GPRESSAVG: 16000 53.384 39.3952 -21.6458 36.9895 9.22213 41.2022 -21.7916 40.6252 -27.3774 TIMING: 16000 CPU: 46.6211, 0.00290026/step Wall: 46.6211, 0.00290026/step, 4.01525 hours remaining, 196.835938 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: 16000 738.5077 2123.1419 2010.4778 107.1459 -206160.9088 17661.0450 0.0000 0.0000 34257.5409 -149263.0495 299.1796 -183520.5904 -149168.4856 299.3691 24.8675 55.7986 556548.1768 11.6747 11.7429 PRESSURE: 16200 -176.415 63.5524 -65.7792 63.554 -36.9003 -26.6726 -65.7791 -26.6719 117.471 GPRESSURE: 16200 -122.416 -13.5017 -72.1323 85.1559 -45.005 6.64898 -9.82963 -16.5748 158.271 PRESSAVG: 16200 69.2383 68.8789 -48.1198 68.879 -36.7838 -11.7985 -48.1197 -11.7985 -58.4858 GPRESSAVG: 16200 68.6571 67.2137 -48.3389 70.7601 -35.9712 -9.21179 -47.5813 -11.9001 -59.1144 TIMING: 16200 CPU: 47.2037, 0.0029132/step Wall: 47.2037, 0.0029132/step, 4.033 hours remaining, 196.835938 MB of memory in use. ENERGY: 16200 764.7315 2082.9643 1965.3036 118.7906 -206231.0317 17861.8230 0.0000 0.0000 34350.8035 -149086.6151 299.9941 -183437.4187 -148993.3506 299.3320 -31.9480 -3.0500 556208.8969 -8.6771 -8.8095 LDB: ============= START OF LOAD BALANCING ============== 50.6683 LDB: ============== END OF LOAD BALANCING =============== 50.6685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.6699 LDB: ============= START OF LOAD BALANCING ============== 50.9619 LDB: Largest compute 4827 load 0.024757 is 21.1% of average load 0.117087 LDB: Average compute 0.001711 is 1.5% of average load 0.117087 LDB: TIME 50.9642 LOAD: AVG 0.117087 MAX 0.175389 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.383 MB LDB: TIME 50.9645 LOAD: AVG 0.117087 MAX 0.175389 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.586 MB LDB: TIME 50.9646 LOAD: AVG 0.117087 MAX 0.175389 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.586 MB LDB: ============== END OF LOAD BALANCING =============== 50.9663 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 50.9703 PRESSURE: 16400 -75.0357 -147.162 -174.656 -147.162 -83.4338 -69.3527 -174.655 -69.3516 -33.2614 GPRESSURE: 16400 -113.696 -191.291 -152.765 -50.7007 -55.7496 -47.6205 -201.118 -62.9861 75.8461 PRESSAVG: 16400 -50.1258 -2.75832 -42.817 -2.75841 67.2773 -69.9139 -42.817 -69.9138 29.461 GPRESSAVG: 16400 -49.9503 -1.1845 -42.2037 -4.56807 66.1439 -72.8485 -41.9512 -69.7905 30.0209 TIMING: 16400 CPU: 47.7951, 0.00295683/step Wall: 47.7951, 0.00295683/step, 4.09323 hours remaining, 197.300781 MB of memory in use. ENERGY: 16400 756.3847 2064.7652 2003.0851 120.0691 -206264.6837 17653.9666 0.0000 0.0000 34471.7723 -149194.6407 301.0506 -183666.4130 -149098.8162 299.7783 -63.9103 -31.1998 556846.2908 15.5375 15.4048 PRESSURE: 16600 -30.4732 -171.635 -15.357 -171.635 -112.679 166.865 -15.3569 166.864 -483.821 GPRESSURE: 16600 28.9437 -108.363 55.1877 -181.567 -120.544 235.334 -2.27885 146.86 -433.936 PRESSAVG: 16600 29.8834 35.3119 -22.9492 35.3117 15.116 14.4581 -22.9492 14.4579 4.65805 GPRESSAVG: 16600 28.9993 36.878 -23.9505 35.0548 17.3408 13.6898 -24.1172 14.1211 3.40312 TIMING: 16600 CPU: 48.3725, 0.00288733/step Wall: 48.3725, 0.00288733/step, 3.99686 hours remaining, 197.300781 MB of memory in use. ENERGY: 16600 765.6593 2100.1930 1989.6143 105.9006 -205940.1739 17573.6716 0.0000 0.0000 34210.6643 -149194.4708 298.7702 -183405.1351 -149093.6384 299.4624 -208.9911 -175.1788 557026.1254 16.5525 16.5811 PRESSURE: 16800 -429.603 72.4273 88.2944 72.4276 -237.325 -5.37794 88.2954 -5.37981 -1.92594 GPRESSURE: 16800 -421.863 74.8708 105.271 21.5065 -226.752 45.8586 6.138 -29.507 71.319 PRESSAVG: 16800 -59.0475 21.7359 -7.54859 21.736 43.1515 -15.2967 -7.54862 -15.2966 17.1411 GPRESSAVG: 16800 -58.1477 22.1055 -7.66571 20.1614 40.8772 -14.3694 -8.05785 -16.3504 18.0094 TIMING: 16800 CPU: 48.947, 0.00287223/step Wall: 48.947, 0.00287223/step, 3.9758 hours remaining, 197.300781 MB of memory in use. ENERGY: 16800 788.7030 2112.4663 1974.7893 124.5773 -206058.3545 17403.2038 0.0000 0.0000 34375.7015 -149278.9133 300.2116 -183654.6148 -149178.3493 299.2512 -222.9514 -192.4322 557280.3070 0.4150 0.2463 PRESSURE: 17000 17.8671 -130.4 -167.912 -130.4 14.3491 81.4273 -167.913 81.4269 -95.6514 GPRESSURE: 17000 48.5312 -154.002 -127.55 -54.6491 99.8261 123.779 -174.649 124.198 -115.573 PRESSAVG: 17000 -86.0632 18.3907 -58.4574 18.3908 13.6131 -64.2109 -58.4573 -64.2108 87.9482 GPRESSAVG: 17000 -85.5933 15.6821 -56.6977 20.439 14.4178 -64.489 -58.8888 -63.4651 86.6438 TIMING: 17000 CPU: 49.52, 0.00286513/step Wall: 49.52, 0.00286513/step, 3.96582 hours remaining, 197.300781 MB of memory in use. ENERGY: 17000 779.1678 2140.3253 1970.4442 104.2621 -206490.0560 17975.2679 0.0000 0.0000 34181.8358 -149338.7529 298.5185 -183520.5887 -149237.6256 299.1090 -21.1451 10.9281 557421.2441 5.1660 5.1561 PRESSURE: 17200 -62.5746 -32.7253 26.9453 -32.7249 41.1676 17.3448 26.9441 17.3451 -368.449 GPRESSURE: 17200 28.981 9.19834 20.6145 -3.65168 14.2589 90.5367 2.47846 -39.5709 -333.49 PRESSAVG: 17200 -24.4976 -76.6876 31.2922 -76.6876 28.2242 -3.09118 31.2923 -3.0911 -21.2326 GPRESSAVG: 17200 -24.9077 -74.2988 29.9428 -78.0183 28.3447 -3.3241 32.5541 -3.44521 -20.5845 TIMING: 17200 CPU: 50.0948, 0.00287377/step Wall: 50.0948, 0.00287377/step, 3.97761 hours remaining, 197.300781 MB of memory in use. ENERGY: 17200 712.2374 2117.1133 1972.3439 117.9373 -206217.8420 17710.4131 0.0000 0.0000 34186.0365 -149401.7605 298.5552 -183587.7970 -149307.3410 298.8731 -129.9518 -96.7500 558808.2420 -5.8353 -5.7158 PRESSURE: 17400 -40.8462 -94.2322 31.48 -94.2319 52.4666 -94.4595 31.4797 -94.4583 -105.556 GPRESSURE: 17400 -31.3223 -139.708 31.0917 -65.505 157.187 -148.503 21.4435 -54.233 -120.119 PRESSAVG: 17400 -11.2844 -17.2219 -11.791 -17.2218 13.288 -44.5251 -11.791 -44.5251 10.8195 GPRESSAVG: 17400 -11.376 -19.9041 -11.3658 -14.2333 13.5045 -43.3671 -12.7962 -46.4692 10.2429 TIMING: 17400 CPU: 50.6692, 0.00287207/step Wall: 50.6692, 0.00287207/step, 3.9751 hours remaining, 197.300781 MB of memory in use. ENERGY: 17400 678.2297 2086.6173 2008.3926 113.8144 -206147.1554 17747.2225 0.0000 0.0000 34073.0135 -149439.8654 297.5681 -183512.8790 -149345.5749 298.6639 -31.3119 1.9150 557564.7613 4.2744 4.1238 PRESSURE: 17600 -79.3793 -117.285 -13.0818 -117.284 240.561 -234.891 -13.0807 -234.891 62.5642 GPRESSURE: 17600 -28.1912 -45.3931 -49.8114 -91.7904 265.696 -261.087 -47.435 -167.499 93.031 PRESSAVG: 17600 23.8507 2.23462 18.5851 2.23461 37.1339 2.70649 18.5851 2.70639 -53.399 GPRESSAVG: 17600 23.5795 4.50871 18.033 0.42425 35.8241 4.16844 19.0361 4.12402 -51.8332 TIMING: 17600 CPU: 51.2461, 0.00288459/step Wall: 51.2461, 0.00288459/step, 3.99227 hours remaining, 197.300781 MB of memory in use. ENERGY: 17600 700.1087 2199.7542 2031.9696 128.7388 -206567.3866 18011.8955 0.0000 0.0000 34133.6222 -149361.2976 298.0974 -183494.9198 -149266.4307 298.5615 74.5819 110.1784 557595.6976 2.5285 2.5235 PRESSURE: 17800 34.6549 -95.5164 -48.744 -95.517 -129.639 37.6827 -48.744 37.6822 58.356 GPRESSURE: 17800 88.1644 6.60516 -58.7673 -118.966 -109.46 -41.6597 -21.7265 19.8572 84.6849 PRESSAVG: 17800 -12.8269 -6.85298 -12.0139 -6.85299 -3.29982 -18.3403 -12.0138 -18.3405 4.11407 GPRESSAVG: 17800 -11.8085 -6.21744 -10.5669 -8.44286 -4.13363 -20.3737 -10.8879 -19.3428 3.68557 TIMING: 17800 CPU: 51.8232, 0.00288531/step Wall: 51.8232, 0.00288531/step, 3.99311 hours remaining, 197.300781 MB of memory in use. ENERGY: 17800 747.5726 2095.6537 1987.3623 111.9480 -206077.4006 17721.5469 0.0000 0.0000 34146.1465 -149267.1707 298.2068 -183413.3172 -149178.1156 298.7208 -12.2093 21.1296 557334.6704 -4.0042 -4.0855 PRESSURE: 18000 -176.997 104.186 62.2142 104.186 254.955 -4.46985 62.215 -4.46959 -128.352 GPRESSURE: 18000 -47.7208 116.328 91.7316 104.15 234.549 -47.3842 68.2942 20.9426 -133.066 PRESSAVG: 18000 -14.2486 -25.9701 24.1091 -25.9701 3.19081 -15.1468 24.1092 -15.1468 -1.95586 GPRESSAVG: 18000 -14.0916 -26.73 24.8626 -25.755 3.75258 -14.8832 23.0948 -14.1012 -2.87288 TIMING: 18000 CPU: 52.3976, 0.0028722/step Wall: 52.3976, 0.0028722/step, 3.97481 hours remaining, 197.300781 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: 18000 752.5595 2091.0483 1952.1923 116.5960 -206274.9032 17857.1546 0.0000 0.0000 34324.0376 -149181.3149 299.7604 -183505.3525 -149085.9001 298.9478 -16.7981 17.9207 559655.8436 -4.3379 -4.4040 PRESSURE: 18200 16.4348 -114.389 134.684 -114.388 -109.959 -204.284 134.684 -204.282 -69.6054 GPRESSURE: 18200 47.4176 -70.6502 109.477 -117.577 -63.324 -187.749 74.3093 -139.208 -42.6101 PRESSAVG: 18200 59.6475 -49.9033 -7.84932 -49.9032 0.800353 6.95241 -7.84936 6.95236 -21.3662 GPRESSAVG: 18200 59.2271 -51.7381 -9.29355 -48.8616 1.06462 5.53559 -7.08009 7.02884 -21.0244 TIMING: 18200 CPU: 52.9748, 0.00288596/step Wall: 52.9748, 0.00288596/step, 3.99369 hours remaining, 197.300781 MB of memory in use. ENERGY: 18200 745.3809 2079.4363 1974.5553 113.2150 -206269.2051 17842.2541 0.0000 0.0000 34038.2603 -149476.1033 297.2646 -183514.3636 -149381.6611 298.6350 -54.3767 -19.5055 557526.5484 13.0272 13.0891 PRESSURE: 18400 38.3718 169.172 -58.5257 169.171 -61.9611 -69.784 -58.5261 -69.7838 22.8807 GPRESSURE: 18400 84.1565 182.987 -117.978 193.931 -25.8198 -64.7809 -16.4684 -64.5078 38.8482 PRESSAVG: 18400 16.2665 5.71775 3.7741 5.71777 -6.55955 -54.5313 3.77413 -54.5313 5.09302 GPRESSAVG: 18400 15.4087 7.67797 5.28902 5.79502 -6.69745 -53.8442 2.66545 -55.1713 5.38187 TIMING: 18400 CPU: 53.554, 0.00289591/step Wall: 53.554, 0.00289591/step, 4.0073 hours remaining, 197.300781 MB of memory in use. ENERGY: 18400 813.4815 2052.1476 1998.2483 121.0386 -206686.0030 18054.6601 0.0000 0.0000 34277.1080 -149369.3189 299.3505 -183646.4269 -149281.0275 298.3899 -0.2362 32.3950 556552.9598 4.9333 4.6977 PRESSURE: 18600 -201.146 -131.405 75.5032 -131.405 12.1868 69.6154 75.5033 69.6152 -124.225 GPRESSURE: 18600 -177.764 -9.97257 110.74 -141.915 16.4988 42.4438 118.037 1.43062 -57.85 PRESSAVG: 18600 4.57545 46.1635 55.0798 46.1634 -39.3967 36.2641 55.0798 36.264 21.9141 GPRESSAVG: 18600 3.94869 45.3301 55.4425 46.6226 -37.8855 35.8715 54.8383 36.3484 20.9594 TIMING: 18600 CPU: 54.1296, 0.00287818/step Wall: 54.1296, 0.00287818/step, 3.9826 hours remaining, 197.300781 MB of memory in use. ENERGY: 18600 762.5796 2082.5058 2010.6561 99.6085 -206484.9726 17915.2357 0.0000 0.0000 34245.4239 -149368.9629 299.0738 -183614.3869 -149272.0397 298.1876 -104.3948 -73.0383 558573.8285 -4.3024 -4.3258 PRESSURE: 18800 -143.12 -17.1228 98.906 -17.1213 -37.3249 224.769 98.9063 224.769 59.9428 GPRESSURE: 18800 -70.1734 0.373424 154.054 57.3955 -41.6202 236.36 79.3269 216.228 90.7753 PRESSAVG: 18800 -31.8679 41.0676 55.595 41.0676 -3.40414 36.43 55.595 36.4301 24.9327 GPRESSAVG: 18800 -31.983 40.8893 53.2358 42.1265 -3.78994 34.6698 56.1546 37.3275 26.5827 TIMING: 18800 CPU: 54.7097, 0.00290034/step Wall: 54.7097, 0.00290034/step, 4.01311 hours remaining, 197.300781 MB of memory in use. ENERGY: 18800 744.5821 2075.2339 1999.3554 118.6484 -206429.8937 17883.6256 0.0000 0.0000 34240.8551 -149367.5932 299.0339 -183608.4483 -149281.7425 298.3393 -40.1674 -7.0061 557239.5044 -3.4465 -3.0634 PRESSURE: 19000 -229.926 -178.197 -8.12618 -178.196 17.2226 -78.941 -8.12744 -78.9407 -57.8662 GPRESSURE: 19000 -157.572 -188.676 -50.7597 -120.471 60.5568 -88.6861 28.5631 -45.1148 -68.7425 PRESSAVG: 19000 -42.2982 -7.80185 2.38295 -7.80173 68.7532 43.0306 2.38294 43.0307 -36.1051 GPRESSAVG: 19000 -41.0015 -5.53656 3.22387 -10.4828 68.0253 42.6344 0.167789 44.0652 -36.9683 TIMING: 19000 CPU: 55.2908, 0.00290557/step Wall: 55.2908, 0.00290557/step, 4.02018 hours remaining, 197.300781 MB of memory in use. ENERGY: 19000 734.1997 2051.2556 1968.2074 108.2190 -206231.0422 17711.3428 0.0000 0.0000 34199.8390 -149457.9787 298.6757 -183657.8176 -149354.7973 298.8732 -90.1899 -55.2526 557345.6070 -3.2167 -3.3149 PRESSURE: 19200 -126.521 -128.4 -55.3903 -128.399 45.8184 -9.04685 -55.3901 -9.05007 15.6973 GPRESSURE: 19200 -76.9617 -55.4844 -14.1384 -203.487 12.7457 2.55715 -116.9 1.76967 94.029 PRESSAVG: 19200 -56.6452 -23.959 -37.6426 -23.9591 89.0192 -23.9222 -37.6426 -23.9223 -14.535 GPRESSAVG: 19200 -57.5427 -24.9423 -37.2475 -23.8904 89.7614 -21.1936 -35.9945 -26.692 -14.7696 TIMING: 19200 CPU: 55.8692, 0.00289192/step Wall: 55.8692, 0.00289192/step, 4.00113 hours remaining, 197.300781 MB of memory in use. ENERGY: 19200 715.1274 2087.6929 1991.3615 112.2927 -205961.8344 17717.2532 0.0000 0.0000 34029.3002 -149308.8065 297.1863 -183338.1067 -149214.7261 298.0691 -21.6685 9.9376 556606.2720 5.9464 5.8164 PRESSURE: 19400 9.36584 -165.074 99.091 -165.074 107.235 -134.368 99.0921 -134.369 58.903 GPRESSURE: 19400 57.3732 -260.766 150.398 -85.1314 170.901 -109.401 75.3768 -91.0377 49.654 PRESSAVG: 19400 -12.0248 -24.7913 -11.5692 -24.7913 28.032 -17.5332 -11.5693 -17.5333 -64.1023 GPRESSAVG: 19400 -10.7098 -22.5464 -12.0437 -24.0536 27.4759 -17.8472 -12.9762 -16.4611 -64.2013 TIMING: 19400 CPU: 56.4523, 0.00291541/step Wall: 56.4523, 0.00291541/step, 4.03348 hours remaining, 197.300781 MB of memory in use. ENERGY: 19400 698.0462 2182.8398 1977.5721 106.2761 -205835.7045 17608.0715 0.0000 0.0000 34285.4163 -148977.4826 299.4231 -183262.8989 -148884.8352 298.9517 58.5013 92.6429 556766.1450 -16.0317 -15.8117 PRESSURE: 19600 40.7649 -48.7693 -45.561 -48.7699 235.882 95.5496 -45.5604 95.5479 -32.6658 GPRESSURE: 19600 115.507 -115.295 13.4361 0.0306978 285.811 129.96 -30.2552 22.9018 -68.4123 PRESSAVG: 19600 15.0685 -0.333261 21.8172 -0.333215 49.9124 9.67006 21.8173 9.67009 -71.8619 GPRESSAVG: 19600 14.4519 -1.43568 21.3213 -0.902354 49.8437 9.07234 23.6717 8.63935 -71.9304 TIMING: 19600 CPU: 57.0334, 0.00290583/step Wall: 57.0334, 0.00290583/step, 4.02005 hours remaining, 197.300781 MB of memory in use. ENERGY: 19600 732.5134 2088.6347 1955.3736 111.8742 -206167.9414 17907.1679 0.0000 0.0000 34362.5480 -149009.8297 300.0967 -183372.3776 -148910.4027 299.0634 81.3271 110.9686 558011.6597 -2.2937 -2.5450 PRESSURE: 19800 -44.7127 -192.45 -55.1744 -192.45 -109.367 -44.6535 -55.1751 -44.6535 77.5793 GPRESSURE: 19800 14.9809 -125.83 -69.6667 -276.916 -98.904 40.8183 -41.4035 -51.8648 105.281 PRESSAVG: 19800 99.6302 37.5319 -38.3153 37.532 11.7829 21.9988 -38.3153 21.9988 -71.2672 GPRESSAVG: 19800 99.4537 35.947 -40.4031 38.5556 12.1029 23.4777 -38.3063 22.5364 -71.4534 TIMING: 19800 CPU: 57.6102, 0.00288393/step Wall: 57.6102, 0.00288393/step, 3.98959 hours remaining, 197.300781 MB of memory in use. ENERGY: 19800 731.9473 2086.2760 1973.2813 111.3309 -206057.2245 17876.6403 0.0000 0.0000 34272.4415 -149005.3073 299.3098 -183277.7488 -148910.2949 299.7357 -25.5001 7.1194 558566.2763 13.3819 13.3677 PRESSURE: 20000 75.8187 -48.546 79.4372 -48.5459 -11.8973 15.998 79.4384 15.9982 194.431 GPRESSURE: 20000 131.35 -52.2885 162.423 36.1689 53.2677 39.5972 20.1712 -44.1352 183.608 PRESSAVG: 20000 36.0094 -1.51576 15.6031 -1.51569 -29.049 24.1017 15.6031 24.1016 -5.02806 GPRESSAVG: 20000 36.8424 -0.109234 17.774 -3.34185 -29.2658 23.8954 15.8085 24.5068 -5.32688 TIMING: 20000 CPU: 58.1889, 0.00289354/step Wall: 58.1889, 0.00289354/step, 4.00273 hours remaining, 197.300781 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: 20000 776.3530 2099.9773 1985.3553 110.6159 -206413.8047 18126.9548 0.0000 0.0000 34192.5493 -149121.9991 298.6120 -183314.5484 -149025.2631 298.9152 86.1174 122.7416 559538.1972 0.6441 0.7499 PRESSURE: 20200 59.0952 39.1315 21.995 39.1322 -92.3828 41.3406 21.9958 41.3413 326.995 GPRESSURE: 20200 89.0653 3.73258 62.4895 60.2893 34.8719 99.2736 16.8709 36.8959 266.748 PRESSAVG: 20200 16.2742 -5.42096 13.5573 -5.42098 -57.717 29.5194 13.5572 29.5194 46.358 GPRESSAVG: 20200 16.2231 -7.16303 11.8363 -3.28027 -58.1035 29.8117 14.5127 28.1236 47.0737 TIMING: 20200 CPU: 58.7703, 0.00290693/step Wall: 58.7703, 0.00290693/step, 4.0211 hours remaining, 197.300781 MB of memory in use. ENERGY: 20200 724.7159 2072.1389 1986.9799 109.7517 -206248.0207 17826.6288 0.0000 0.0000 34278.7621 -149249.0433 299.3650 -183527.8054 -149156.4316 298.1214 97.9026 130.2284 558310.5135 1.6384 1.7311 LDB: ============= START OF LOAD BALANCING ============== 62.2377 LDB: ============== END OF LOAD BALANCING =============== 62.2379 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 62.2393 LDB: ============= START OF LOAD BALANCING ============== 62.5296 LDB: Largest compute 4820 load 0.026336 is 22.5% of average load 0.117134 LDB: Average compute 0.001713 is 1.5% of average load 0.117134 LDB: TIME 62.5319 LOAD: AVG 0.117134 MAX 0.174457 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.301 MB LDB: TIME 62.5322 LOAD: AVG 0.117134 MAX 0.174457 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.301 MB LDB: TIME 62.5323 LOAD: AVG 0.117134 MAX 0.174457 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.301 MB LDB: ============== END OF LOAD BALANCING =============== 62.5342 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 62.5382 PRESSURE: 20400 -115.019 74.0078 64.4092 74.0068 -230.719 -194.315 64.4089 -194.312 -370.93 GPRESSURE: 20400 -34.0456 75.9611 10.373 28.7408 -292.057 -285.463 -13.1948 -152.004 -281.151 PRESSAVG: 20400 -10.7016 3.23503 -0.127666 3.23497 7.42179 -64.4741 -0.127662 -64.474 -26.298 GPRESSAVG: 20400 -11.1751 5.41652 -1.50167 1.75175 7.74364 -64.567 -0.746198 -64.6609 -26.2342 TIMING: 20400 CPU: 59.3628, 0.0029625/step Wall: 59.3628, 0.0029625/step, 4.09779 hours remaining, 196.585938 MB of memory in use. ENERGY: 20400 770.8687 2113.9788 1986.3708 123.1767 -206316.4905 17725.0235 0.0000 0.0000 34438.3808 -149158.6911 300.7589 -183597.0719 -149069.6729 299.2798 -238.8897 -202.4179 559418.0878 -9.8593 -9.8886 PRESSURE: 20600 -275.466 -196.382 6.62786 -196.382 307.727 -48.314 6.62542 -48.3144 -75.9252 GPRESSURE: 20600 -209.464 -239.579 -83.0853 -182.739 287.615 -9.74735 40.5756 -43.4683 -10.685 PRESSAVG: 20600 -32.9986 -69.2807 15.6652 -69.2806 51.9487 -42.8668 15.6653 -42.8667 -48.7799 GPRESSAVG: 20600 -34.1626 -70.5569 17.8694 -69.0868 53.6718 -41.7534 14.8346 -42.4191 -49.1232 TIMING: 20600 CPU: 59.9389, 0.00288061/step Wall: 59.9389, 0.00288061/step, 3.98436 hours remaining, 196.789062 MB of memory in use. ENERGY: 20600 705.1358 2094.3681 1973.7089 119.6163 -206304.1580 17825.0103 0.0000 0.0000 34191.3787 -149394.9399 298.6018 -183586.3186 -149302.8081 298.8243 -14.5549 22.4887 557413.0015 -9.9433 -9.8714 PRESSURE: 20800 -270.035 61.9995 -26.2915 61.9989 -167.385 -2.7386 -26.2895 -2.73895 -206.278 GPRESSURE: 20800 -222.261 141.063 -53.3923 16.1666 -126.596 32.026 92.3004 5.80733 -191.942 PRESSAVG: 20800 -55.5921 -18.9817 -13.4483 -18.9818 67.4248 -13.8637 -13.4483 -13.8637 -29.1024 GPRESSAVG: 20800 -52.9059 -18.9522 -12.3495 -20.6746 65.238 -15.6059 -13.1056 -13.3054 -29.194 TIMING: 20800 CPU: 60.5149, 0.00287979/step Wall: 60.5149, 0.00287979/step, 3.98306 hours remaining, 196.789062 MB of memory in use. ENERGY: 20800 745.9384 1995.7043 1973.2971 102.4178 -206224.2472 17788.7215 0.0000 0.0000 34219.2791 -149398.8891 298.8455 -183618.1681 -149301.7861 298.6507 -214.5658 -180.2666 558615.8076 -5.7566 -5.6206 PRESSURE: 21000 -168.077 -20.3304 12.9184 -20.3311 -236.216 -80.5309 12.9193 -80.5304 -222.786 GPRESSURE: 21000 -150.251 64.6126 -29.1368 -80.3852 -220.325 -111.36 -42.1244 -76.2617 -160.854 PRESSAVG: 21000 -5.5823 -20.8997 -17.4431 -20.8998 30.6247 24.2021 -17.4431 24.2019 -44.5461 GPRESSAVG: 21000 -7.69651 -21.2346 -17.696 -20.4948 31.8612 25.2305 -17.3039 24.1563 -43.614 TIMING: 21000 CPU: 61.0895, 0.00287329/step Wall: 61.0895, 0.00287329/step, 3.97392 hours remaining, 196.789062 MB of memory in use. ENERGY: 21000 743.1995 2052.1769 1965.7150 105.4587 -206086.4178 17599.1712 0.0000 0.0000 34347.3280 -149273.3684 299.9638 -183620.6965 -149176.1101 298.0573 -209.0265 -177.1435 558626.7711 -6.5012 -6.4831 PRESSURE: 21200 -134.443 -149.83 54.1735 -149.829 119.881 28.7069 54.174 28.7068 -103.028 GPRESSURE: 21200 -89.1222 -239.548 80.4924 -37.0251 138.701 -21.4664 89.9793 33.5567 -80.126 PRESSAVG: 21200 -36.1236 0.0361937 5.34109 0.0362487 6.01363 -64.3149 5.341 -64.3148 13.4201 GPRESSAVG: 21200 -35.2829 -1.38814 3.77407 1.51755 5.81657 -65.1292 6.07703 -62.4459 12.147 TIMING: 21200 CPU: 61.6672, 0.0028885/step Wall: 61.6672, 0.0028885/step, 3.99479 hours remaining, 196.898438 MB of memory in use. ENERGY: 21200 762.6885 2099.4889 1998.5860 102.0092 -206251.1519 17803.7453 0.0000 0.0000 34245.9786 -149238.6553 299.0786 -183484.6340 -149151.8634 299.4169 -39.1966 -10.1825 557217.5922 -5.5633 -5.7731 PRESSURE: 21400 3.6047 72.0309 34.7609 72.0301 317.9 112.539 34.7611 112.539 -11.0429 GPRESSURE: 21400 62.8491 60.7934 72.9226 191.312 356.638 218.233 -43.2735 114.068 -13.1101 PRESSAVG: 21400 39.5448 -24.0188 14.4012 -24.0189 -5.18096 12.5053 14.4012 12.5051 -4.56667 GPRESSAVG: 21400 39.3224 -23.2465 14.786 -24.2616 -4.89105 13.2933 12.2383 10.326 -4.5382 TIMING: 21400 CPU: 62.2414, 0.00287081/step Wall: 62.2414, 0.00287081/step, 3.97018 hours remaining, 196.898438 MB of memory in use. ENERGY: 21400 740.5630 2136.8595 1976.0044 112.2150 -206769.7637 18197.0787 0.0000 0.0000 34193.8771 -149413.1661 298.6236 -183607.0432 -149316.3657 298.1399 103.4873 135.4591 557418.5782 9.9324 9.9644 PRESSURE: 21600 -180.88 44.9434 56.0153 44.9443 -435.855 27.3688 56.0169 27.369 -516.434 GPRESSURE: 21600 -121.633 36.5709 92.0945 -4.1547 -445.856 37.8967 -37.5463 62.8785 -459.16 PRESSAVG: 21600 38.1473 -4.00803 33.5695 -4.00811 -57.9282 4.66565 33.5696 4.6656 6.33346 GPRESSAVG: 21600 38.3461 -2.71961 34.4962 -5.00848 -58.1307 2.37048 36.031 6.64433 6.6449 TIMING: 21600 CPU: 62.8196, 0.002891/step Wall: 62.8196, 0.002891/step, 3.99793 hours remaining, 196.898438 MB of memory in use. ENERGY: 21600 773.5685 2180.6084 1964.1193 122.6855 -205957.3283 17499.9552 0.0000 0.0000 34073.7940 -149342.5974 297.5749 -183416.3914 -149251.6509 298.4368 -377.7232 -342.2164 558965.7984 -4.4825 -4.3799 PRESSURE: 21800 -144.299 52.7023 -25.7542 52.7029 34.3856 64.9534 -25.7532 64.9532 -232.888 GPRESSURE: 21800 -124.784 -62.197 -87.2137 59.3319 34.0943 116.578 59.2352 -1.40934 -166.535 PRESSAVG: 21800 -11.9673 10.7126 18.3984 10.7125 -0.234804 43.2724 18.3985 43.2725 20.0066 GPRESSAVG: 21800 -11.7956 10.1636 18.9628 11.1364 -0.648602 44.951 16.7503 41.2396 19.8631 TIMING: 21800 CPU: 63.3989, 0.00289636/step Wall: 63.3989, 0.00289636/step, 4.00518 hours remaining, 196.898438 MB of memory in use. ENERGY: 21800 722.9344 2120.2115 1976.4154 121.3148 -205841.4578 17624.5434 0.0000 0.0000 33970.6581 -149305.3804 296.6742 -183276.0384 -149215.4430 298.2235 -114.2670 -85.7416 557604.0627 2.6015 2.4730 PRESSURE: 22000 6.86917 -18.3772 22.695 -18.3775 179.472 -161.77 22.695 -161.768 -75.6602 GPRESSURE: 22000 70.2709 -66.6878 25.2743 45.4764 209.153 -172.337 24.1448 -178.579 -75.658 PRESSAVG: 22000 7.10337 -28.0042 35.3778 -28.0042 -37.0723 -35.2865 35.3778 -35.2864 -14.4931 GPRESSAVG: 22000 6.6009 -26.2386 33.5707 -29.6194 -37.8638 -36.6329 35.1593 -35.2231 -13.4482 TIMING: 22000 CPU: 63.9735, 0.0028732/step Wall: 63.9735, 0.0028732/step, 3.973 hours remaining, 196.898438 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: 22000 758.6518 2084.8004 1955.8907 101.9142 -206069.5419 17822.3156 0.0000 0.0000 34074.5821 -149271.3871 297.5818 -183345.9692 -149175.1127 298.2800 36.8936 67.9221 558875.2161 -14.8207 -14.9037 PRESSURE: 22200 -341.955 14.4949 -139.268 14.4955 -156.278 -149.941 -139.268 -149.94 -154.251 GPRESSURE: 22200 -282.562 -91.2125 -128.844 82.2773 -178.135 -152.072 -157.804 -117.047 -98.9357 PRESSAVG: 22200 15.0534 15.5816 -11.3962 15.5816 -10.7452 57.0391 -11.3962 57.039 33.2347 GPRESSAVG: 22200 15.2718 14.2531 -9.53589 17.6822 -9.75236 59.242 -12.0857 56.3105 31.8044 TIMING: 22200 CPU: 64.5495, 0.00288/step Wall: 64.5495, 0.00288/step, 3.98225 hours remaining, 196.898438 MB of memory in use. ENERGY: 22200 771.0753 2031.9902 1979.6062 113.7073 -206127.8714 17639.3589 0.0000 0.0000 34292.2486 -149299.8848 299.4827 -183592.1334 -149202.8130 299.4850 -217.4945 -186.5443 558300.7795 12.5143 12.4413 PRESSURE: 22400 -134.585 85.7035 -78.4788 85.7027 163.991 5.63745 -78.4795 5.63768 -59.6103 GPRESSURE: 22400 -100.522 35.8553 -93.6651 151.076 163.414 0.671279 10.2216 -4.73312 -0.0353831 PRESSAVG: 22400 -70.3617 -24.6888 37.6732 -24.6887 47.9332 12.124 37.6731 12.1241 21.7672 GPRESSAVG: 22400 -70.775 -24.6339 37.0265 -23.1822 46.6711 10.6054 38.0924 13.1526 23.1075 TIMING: 22400 CPU: 65.1293, 0.00289906/step Wall: 65.1293, 0.00289906/step, 4.00844 hours remaining, 196.898438 MB of memory in use. ENERGY: 22400 726.3478 2063.4366 1976.3696 110.8153 -206433.4841 17856.0716 0.0000 0.0000 34266.4349 -149434.0082 299.2573 -183700.4431 -149331.8263 298.6934 -10.0680 20.9523 558548.2290 -0.2204 -0.3322 PRESSURE: 22600 24.4108 98.3581 -19.94 98.3581 45.3048 45.1045 -19.9391 45.1035 -156.871 GPRESSURE: 22600 69.9613 68.7023 11.9464 185.318 84.1975 15.3103 43.2286 98.0925 -152.07 PRESSAVG: 22600 -29.6113 -19.5457 -0.462728 -19.5456 30.8288 7.93439 -0.462685 7.93441 -5.16091 GPRESSAVG: 22600 -29.2868 -20.2361 -0.636997 -20.0933 30.0304 11.1717 1.46325 4.86522 -4.93434 TIMING: 22600 CPU: 65.7091, 0.002899/step Wall: 65.7091, 0.002899/step, 4.00819 hours remaining, 196.898438 MB of memory in use. ENERGY: 22600 779.6528 2113.5676 1965.0133 109.3014 -206283.0140 17765.1391 0.0000 0.0000 34259.4054 -149290.9346 299.1959 -183550.3399 -149191.7536 298.0833 -29.0517 0.6964 558677.3878 -1.3144 -1.3969 PRESSURE: 22800 -404.161 6.77408 74.7768 6.77415 -117.545 6.56074 74.7775 6.56011 -201.309 GPRESSURE: 22800 -353.667 1.8462 42.153 -18.0636 -92.4422 112.356 125.852 15.4638 -184.36 PRESSAVG: 22800 -12.7254 -0.733063 -3.79795 -0.733054 19.2167 -8.57084 -3.798 -8.57089 -9.36483 GPRESSAVG: 22800 -13.7669 -2.02869 -4.09674 -0.853655 21.2194 -9.84191 -5.1419 -5.32556 -10.6574 TIMING: 22800 CPU: 66.292, 0.00291424/step Wall: 66.292, 0.00291424/step, 4.0291 hours remaining, 196.906250 MB of memory in use. ENERGY: 22800 757.2359 2104.8975 1984.8039 112.2620 -206010.5861 17573.3405 0.0000 0.0000 34187.9179 -149290.1283 298.5716 -183478.0462 -149195.8115 298.2709 -241.0048 -210.1564 558151.0185 -0.9579 -1.0683 PRESSURE: 23000 -441.54 -46.0852 -219.088 -46.0859 84.6406 -56.748 -219.088 -56.7476 -137.148 GPRESSURE: 23000 -380.296 -127.675 -204.836 3.79075 68.6341 -93.6005 -241.332 -58.8711 -79.465 PRESSAVG: 23000 -52.5097 -3.45361 -58.9536 -3.45358 64.2959 -26.7724 -58.9536 -26.7725 -24.4877 GPRESSAVG: 23000 -52.5715 -2.61195 -56.455 -4.83469 62.838 -27.9373 -59.1769 -27.8673 -22.6092 TIMING: 23000 CPU: 66.8743, 0.00291151/step Wall: 66.8743, 0.00291151/step, 4.02516 hours remaining, 197.109375 MB of memory in use. ENERGY: 23000 783.1210 2094.0426 1972.9507 103.7352 -206498.0660 17699.3353 0.0000 0.0000 34272.9960 -149571.8853 299.3146 -183844.8813 -149465.8302 298.7876 -164.6825 -130.3757 556193.7317 -4.2338 -4.1142 PRESSURE: 23200 177.1 9.97946 -43.9426 9.97959 130.504 291.488 -43.9419 291.488 172.211 GPRESSURE: 23200 211.786 83.3715 -43.5677 18.6834 146.166 227.684 -64.4458 414.001 228.163 PRESSAVG: 23200 -1.51302 -72.0838 -27.24 -72.0838 74.1436 29.0489 -27.2401 29.0489 -45.1988 GPRESSAVG: 23200 -0.707024 -71.6195 -29.0685 -71.7133 74.1138 28.6911 -27.196 30.9668 -46.586 TIMING: 23200 CPU: 67.4571, 0.00291434/step Wall: 67.4571, 0.00291434/step, 4.02891 hours remaining, 197.109375 MB of memory in use. ENERGY: 23200 721.8664 2081.0770 1976.6048 120.5841 -206808.6507 18008.4526 0.0000 0.0000 34200.4808 -149699.5850 298.6813 -183900.0658 -149602.4525 298.5031 159.9384 195.3717 554838.8661 9.1439 8.9403 PRESSURE: 23400 53.3418 -116.28 39.4033 -116.279 148.853 17.0117 39.4019 17.0121 43.3207 GPRESSURE: 23400 102.888 -157.239 77.851 -135.018 162.611 32.8399 2.07701 11.5222 85.5731 PRESSAVG: 23400 15.8126 -70.7979 -37.7507 -70.7978 -29.3494 67.5911 -37.7507 67.591 -13.1302 GPRESSAVG: 23400 16.2943 -69.2436 -37.738 -69.9829 -28.394 68.2331 -37.5023 65.9931 -14.654 TIMING: 23400 CPU: 68.0382, 0.00290523/step Wall: 68.0382, 0.00290523/step, 4.01616 hours remaining, 197.109375 MB of memory in use. ENERGY: 23400 736.7865 2142.2020 1994.0506 101.6614 -206628.6428 17857.3757 0.0000 0.0000 34125.9493 -149670.6173 298.0304 -183796.5666 -149573.5178 297.6200 81.8384 117.0239 552966.0292 -8.8890 -8.9179 PRESSURE: 23600 99.2917 129.139 -180.945 129.14 -26.0346 253.221 -180.946 253.22 -76.3336 GPRESSURE: 23600 149.716 -1.8192 -259.243 111.299 -2.98865 267.457 -116.5 291.084 -74.0239 PRESSAVG: 23600 38.2494 -5.57757 -58.1808 -5.57747 -20.4803 8.57249 -58.1809 8.57243 -12.9959 GPRESSAVG: 23600 37.7501 -7.74443 -58.8085 -6.18204 -20.6462 8.22491 -58.7943 9.33803 -12.5791 TIMING: 23600 CPU: 68.6165, 0.00289175/step Wall: 68.6165, 0.00289175/step, 3.99736 hours remaining, 197.109375 MB of memory in use. ENERGY: 23600 744.1120 2074.4327 1995.5030 123.6952 -206494.2405 17680.4029 0.0000 0.0000 34067.9771 -149808.1176 297.5241 -183876.0947 -149716.0980 297.7305 -1.0255 24.2346 555486.8530 1.5911 1.5083 PRESSURE: 23800 -132.157 162.537 -26.313 162.537 111.606 105.361 -26.3115 105.36 -119.918 GPRESSURE: 23800 -84.5181 91.9496 30.6952 118.583 159.797 85.5458 -5.09512 25.9678 -135.295 PRESSAVG: 23800 16.8731 -19.8576 -11.0063 -19.8576 35.8922 -52.101 -11.0063 -52.1009 -12.0871 GPRESSAVG: 23800 17.0983 -21.5439 -9.74398 -18.278 35.4877 -52.4437 -12.5544 -51.9185 -11.598 TIMING: 23800 CPU: 69.193, 0.00288234/step Wall: 69.193, 0.00288234/step, 3.9842 hours remaining, 197.109375 MB of memory in use. ENERGY: 23800 711.8944 2137.7389 1969.6297 124.4549 -206470.8122 17808.5726 0.0000 0.0000 34243.9013 -149474.6204 299.0605 -183718.5217 -149382.5604 297.4774 -46.8228 -20.0053 557639.9390 13.5594 13.6627 PRESSURE: 24000 -15.1579 60.0587 -155.688 60.058 82.4276 -133.044 -155.687 -133.042 244.632 GPRESSURE: 24000 33.0981 95.4809 -66.209 15.6473 99.4626 -128.55 -192.507 -225.021 270.138 PRESSAVG: 24000 14.669 -15.6115 3.48674 -15.6115 -14.2057 24.5385 3.48663 24.5384 -21.7359 GPRESSAVG: 24000 15.1165 -13.9061 4.01601 -16.0395 -14.5912 24.1745 2.90499 23.5755 -21.6968 TIMING: 24000 CPU: 69.7712, 0.00289102/step Wall: 69.7712, 0.00289102/step, 3.99603 hours remaining, 197.109375 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: 24000 734.2279 2109.6277 1974.4769 124.9718 -206941.6249 18309.2903 0.0000 0.0000 34445.4876 -149243.5428 300.8210 -183689.0304 -149155.7711 298.5934 103.9674 134.2330 557992.3976 -7.0909 -7.0572 PRESSURE: 24200 -0.0941659 -57.1556 67.9666 -57.1552 -98.7529 49.3953 67.9654 49.3974 49.1127 GPRESSURE: 24200 9.9446 -56.6675 130.503 -23.4361 -69.0983 38.3373 23.339 116.201 108.709 PRESSAVG: 24200 -44.8014 -13.5113 -39.8245 -13.5112 2.91765 -4.32825 -39.8245 -4.32827 41.8257 GPRESSAVG: 24200 -44.8839 -12.6564 -41.0473 -14.6274 2.91728 -3.04271 -38.0171 -4.84388 42.0879 TIMING: 24200 CPU: 70.3466, 0.00287708/step Wall: 70.3466, 0.00287708/step, 3.97661 hours remaining, 197.109375 MB of memory in use. ENERGY: 24200 718.5682 2063.1849 1971.1437 102.7284 -206580.5249 17989.9776 0.0000 0.0000 34312.3537 -149422.5684 299.6583 -183734.9221 -149324.2866 299.5248 -16.5781 16.5186 557923.3976 -0.0193 0.0404 LDB: ============= START OF LOAD BALANCING ============== 73.8127 LDB: ============== END OF LOAD BALANCING =============== 73.8129 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 73.8145 LDB: ============= START OF LOAD BALANCING ============== 74.1054 LDB: Largest compute 4820 load 0.026256 is 22.4% of average load 0.117176 LDB: Average compute 0.001720 is 1.5% of average load 0.117176 LDB: TIME 74.1078 LOAD: AVG 0.117176 MAX 0.180902 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.371 MB LDB: TIME 74.1081 LOAD: AVG 0.117176 MAX 0.180902 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.371 MB LDB: TIME 74.1082 LOAD: AVG 0.117176 MAX 0.180902 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.371 MB LDB: ============== END OF LOAD BALANCING =============== 74.1099 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 74.1137 PRESSURE: 24400 -194.469 -15.5393 -3.36466 -15.5397 13.9159 177.897 -3.36422 177.896 -142.477 GPRESSURE: 24400 -171.186 53.409 -3.83985 -21.6741 40.0641 165.884 0.733637 110.315 -96.2015 PRESSAVG: 24400 -76.7675 -36.6683 -15.5642 -36.6683 11.5306 39.4006 -15.5643 39.4007 87.2804 GPRESSAVG: 24400 -78.3081 -36.584 -12.7493 -36.7629 12.7657 38.5114 -17.8141 39.8188 87.7522 TIMING: 24400 CPU: 70.9384, 0.00295908/step Wall: 70.9384, 0.00295908/step, 4.08977 hours remaining, 197.953125 MB of memory in use. ENERGY: 24400 743.4107 2129.1719 1968.2110 116.9335 -206371.8094 17814.3800 0.0000 0.0000 34317.5622 -149282.1401 299.7038 -183599.7023 -149185.6985 298.6807 -107.6766 -75.7744 558810.2269 7.3478 7.4033 PRESSURE: 24600 -99.883 -18.8583 8.2421 -18.8579 -18.4594 10.9995 8.24209 10.9997 102.376 GPRESSURE: 24600 -103.851 -96.0464 -45.2584 33.968 54.0174 -57.8595 12.3686 -19.2761 120.515 PRESSAVG: 24600 -12.9648 -8.30869 -3.35237 -8.30867 -44.9699 45.1743 -3.35251 45.1744 23.8949 GPRESSAVG: 24600 -11.3742 -9.11875 -3.5798 -7.55233 -45.1151 45.1151 -0.0494214 46.3734 23.1786 TIMING: 24600 CPU: 71.5204, 0.00290978/step Wall: 71.5204, 0.00290978/step, 4.02148 hours remaining, 198.023438 MB of memory in use. ENERGY: 24600 759.5922 2054.0122 1957.5098 115.6948 -206242.6084 17836.4219 0.0000 0.0000 34161.2897 -149358.0879 298.3390 -183519.3776 -149253.2301 298.5452 -5.3222 23.5605 559037.4208 -11.3466 -11.1036 PRESSURE: 24800 49.8818 -158.025 -22.0651 -158.023 -272.404 142.448 -22.0653 142.448 -7.10235 GPRESSURE: 24800 90.8271 -91.9239 -8.4802 -235.758 -231.831 72.6531 -2.39702 183.217 0.718934 PRESSAVG: 24800 -11.6072 -33.349 -43.8181 -33.3489 -40.1491 -8.22354 -43.8181 -8.22357 5.56607 GPRESSAVG: 24800 -11.2102 -32.1058 -44.4468 -33.6622 -40.749 -7.69882 -44.8561 -8.49814 6.06524 TIMING: 24800 CPU: 72.1026, 0.00291117/step Wall: 72.1026, 0.00291117/step, 4.02324 hours remaining, 198.023438 MB of memory in use. ENERGY: 24800 771.4840 2050.0276 1977.9316 106.8256 -206241.1508 17896.9247 0.0000 0.0000 34180.5503 -149257.4070 298.5072 -183437.9573 -149161.2328 298.0003 -76.5416 -46.7618 558982.7770 -15.3968 -15.2980 PRESSURE: 25000 -205.553 -128.42 83.7616 -128.42 -222.681 28.8644 83.763 28.8619 -227.941 GPRESSURE: 25000 -178.539 -166.455 78.3021 -33.4286 -162.726 81.4978 33.5153 4.99784 -231.276 PRESSAVG: 25000 26.6347 -9.48131 34.2514 -9.48121 -7.18379 -10.4131 34.2515 -10.413 -17.8339 GPRESSAVG: 25000 24.8983 -8.00961 33.8699 -9.76193 -6.01539 -8.77736 34.3369 -10.5813 -18.2334 TIMING: 25000 CPU: 72.6829, 0.00290138/step Wall: 72.6829, 0.00290137/step, 4.00954 hours remaining, 198.023438 MB of memory in use. ENERGY: 25000 749.5271 2083.5496 1984.6093 123.2248 -206096.3546 17684.0624 0.0000 0.0000 34142.3872 -149328.9942 298.1740 -183471.3814 -149241.0648 298.7492 -218.7250 -190.8472 558341.9502 0.5390 0.2165 PRESSURE: 25200 117.345 -63.8045 -307.279 -63.8038 13.5653 129.269 -307.28 129.269 -59.8639 GPRESSURE: 25200 174.565 -117.816 -315.03 3.45218 8.17687 152.365 -226.57 114.891 -13.6484 PRESSAVG: 25200 -40.2466 -27.1683 -37.7755 -27.1682 8.25183 31.9389 -37.7755 31.9388 -0.888602 GPRESSAVG: 25200 -38.1599 -31.1499 -37.5234 -26.4583 7.34593 30.4565 -39.2104 32.7212 -1.51202 TIMING: 25200 CPU: 73.2616, 0.00289357/step Wall: 73.2616, 0.00289357/step, 3.99859 hours remaining, 198.023438 MB of memory in use. ENERGY: 25200 727.2107 2140.4111 1972.4836 133.4551 -206401.7789 17910.3397 0.0000 0.0000 34249.9534 -149267.9253 299.1134 -183517.8787 -149165.2922 297.5616 23.6822 56.3646 556277.7967 -10.9611 -10.7753 PRESSURE: 25400 117.254 -66.5217 104.203 -66.5217 145.634 -20.7873 104.204 -20.7854 -272.629 GPRESSURE: 25400 84.3773 -120.132 96.9447 16.1172 150.776 -111.718 12.7835 78.4749 -155.795 PRESSAVG: 25400 19.9411 -9.25494 8.42671 -9.25488 11.9393 6.75738 8.42663 6.75724 -14.994 GPRESSAVG: 25400 20.4845 -8.50857 6.88965 -8.53089 11.4257 6.441 10.8252 6.11733 -14.8893 TIMING: 25400 CPU: 73.8384, 0.00288373/step Wall: 73.8384, 0.00288373/step, 3.98484 hours remaining, 198.023438 MB of memory in use. ENERGY: 25400 728.3041 2067.0291 1956.2356 108.2435 -206227.6378 17914.7787 0.0000 0.0000 34233.3143 -149219.7326 298.9680 -183453.0468 -149123.9735 298.4467 -3.2471 26.4530 558198.4201 5.6288 5.6736 PRESSURE: 25600 -3.58979 -78.4732 152.982 -78.4732 219.682 119.3 152.98 119.303 9.56809 GPRESSURE: 25600 34.4002 -53.4306 158.854 -62.322 293.027 99.7974 82.5812 118.519 -7.65445 PRESSAVG: 25600 -26.1431 1.86104 5.23419 1.86099 51.293 4.70287 5.23411 4.70286 -17.7046 GPRESSAVG: 25600 -26.139 2.27601 4.71488 0.262945 52.2577 7.002 3.07636 3.86003 -18.25 TIMING: 25600 CPU: 74.4182, 0.00289929/step Wall: 74.4182, 0.00289929/step, 4.00617 hours remaining, 198.023438 MB of memory in use. ENERGY: 25600 771.7764 2081.0705 1985.3964 117.4545 -206567.0454 18121.7472 0.0000 0.0000 34173.6246 -149315.9758 298.4468 -183489.6003 -149220.5513 298.4410 75.2201 106.5910 557728.5972 2.4817 2.6229 PRESSURE: 25800 21.6851 -81.3293 -105.861 -81.329 70.3173 -139.77 -105.861 -139.77 -53.2038 GPRESSURE: 25800 6.15602 -72.4349 -70.7032 -24.0237 159.82 -157.957 -170.306 -98.7538 -32.8812 PRESSAVG: 25800 32.1671 -29.6908 -8.21876 -29.6908 8.48228 -9.70561 -8.21883 -9.70569 -78.3539 GPRESSAVG: 25800 31.7454 -29.4586 -7.26931 -29.1355 8.65101 -11.2409 -8.00381 -7.78978 -77.9574 TIMING: 25800 CPU: 74.9955, 0.00288635/step Wall: 74.9955, 0.00288635/step, 3.98814 hours remaining, 198.023438 MB of memory in use. ENERGY: 25800 712.0637 2121.2533 1974.5640 106.0675 -206237.8614 18024.0899 0.0000 0.0000 34229.3118 -149070.5112 298.9331 -183299.8230 -148973.7078 299.6820 12.9329 44.3648 557396.2809 -12.5681 -12.5203 PRESSURE: 26000 -132.042 -138.023 -34.8715 -138.022 -164.802 -137.309 -34.8716 -137.311 -108.616 GPRESSURE: 26000 -70.0613 -139.359 -104.12 -186.788 -141.022 -134.86 17.3136 -87.7976 -92.1821 PRESSAVG: 26000 65.909 -62.0936 3.87754 -62.0936 -14.3643 6.36037 3.87756 6.36028 -66.915 GPRESSAVG: 26000 66.689 -61.1013 4.5236 -63.2006 -15.3073 6.21701 4.70843 5.01454 -66.6347 TIMING: 26000 CPU: 75.5735, 0.00288997/step Wall: 75.5735, 0.00288997/step, 3.99298 hours remaining, 198.023438 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: 26000 740.0549 2124.9852 2010.6666 114.6986 -205946.0025 17716.1083 0.0000 0.0000 34238.8729 -149000.6159 299.0166 -183239.4889 -148896.1405 299.3973 -135.1535 -101.0885 557812.0185 -5.1234 -5.0843 PRESSURE: 26200 206.584 -4.12941 -11.3787 -4.12961 -103.901 74.6564 -11.3785 74.6575 -44.6243 GPRESSURE: 26200 221.811 48.2288 -52.4181 -19.1806 -28.3717 43.4888 -56.4252 138.474 -17.2799 PRESSAVG: 26200 -7.61596 -17.0818 -79.535 -17.0819 56.893 39.6677 -79.535 39.6676 -34.7457 GPRESSAVG: 26200 -7.60198 -18.2838 -81.8676 -17.3734 57.6342 39.4694 -78.861 39.0653 -35.3041 TIMING: 26200 CPU: 76.1533, 0.00289917/step Wall: 76.1533, 0.00289917/step, 4.00552 hours remaining, 198.023438 MB of memory in use. ENERGY: 26200 761.5822 2112.5372 1986.2093 110.9548 -206246.8499 17919.6964 0.0000 0.0000 34360.7797 -148995.0903 300.0812 -183355.8700 -148903.3414 299.3763 19.3530 58.7198 558105.9555 4.8438 4.9094 PRESSURE: 26400 -240.251 17.2688 -82.0032 17.2696 342.322 -223.933 -82.0044 -223.932 26.8385 GPRESSURE: 26400 -193.31 33.2845 -50.2565 -2.67862 342.612 -145.961 -98.9925 -271.273 70.749 PRESSAVG: 26400 -17.8332 -29.0284 -17.1963 -29.0284 21.6019 7.04307 -17.1963 7.04298 -19.0824 GPRESSAVG: 26400 -17.6807 -30.3693 -17.0928 -27.403 20.7328 8.14253 -18.0024 7.41478 -18.025 TIMING: 26400 CPU: 76.7388, 0.00292746/step Wall: 76.7388, 0.00292746/step, 4.04445 hours remaining, 198.023438 MB of memory in use. ENERGY: 26400 737.3875 2105.8315 1986.7237 107.9727 -206312.3942 17969.1593 0.0000 0.0000 34291.0550 -149114.2646 299.4723 -183405.3195 -149015.9365 300.0360 42.9697 73.3505 558555.7048 -5.1046 -4.9910 PRESSURE: 26600 -51.5732 27.9567 39.1342 27.9554 289.373 170.989 39.1346 170.99 42.9695 GPRESSURE: 26600 -25.3092 0.0551608 56.7306 55.933 366.907 101.525 35.0861 125.822 39.931 PRESSAVG: 26600 -58.334 10.7823 -26.1921 10.7823 72.1487 -1.98399 -26.192 -1.98403 -4.38668 GPRESSAVG: 26600 -58.7453 11.7536 -24.6248 11.4169 72.8892 -4.2855 -26.4135 -1.98368 -4.88729 TIMING: 26600 CPU: 77.3203, 0.00290748/step Wall: 77.3203, 0.00290748/step, 4.01669 hours remaining, 198.023438 MB of memory in use. ENERGY: 26600 746.9735 2114.6547 2019.0088 121.7212 -206272.1107 17939.8825 0.0000 0.0000 34191.5061 -149138.3641 298.6029 -183329.8701 -149047.2608 299.1882 93.5898 127.1764 558338.1245 3.1427 3.0855 PRESSURE: 26800 19.0517 -14.962 -7.32432 -14.9619 -78.752 70.3943 -7.32459 70.394 57.4255 GPRESSURE: 26800 62.732 31.9951 -29.32 -59.0784 -70.3262 137.144 23.6413 62.8177 94.5404 PRESSAVG: 26800 -4.55161 42.0265 3.29781 42.0265 -4.98529 -8.00994 3.29792 -8.0099 16.6722 GPRESSAVG: 26800 -4.33851 40.7525 4.9734 43.41 -4.9497 -6.90096 2.42172 -8.43097 15.7485 TIMING: 26800 CPU: 77.9066, 0.00293164/step Wall: 77.9066, 0.00293164/step, 4.0499 hours remaining, 198.023438 MB of memory in use. ENERGY: 26800 763.5321 2122.7577 1975.6802 121.5595 -206297.1725 17940.0248 0.0000 0.0000 34349.3507 -149024.2675 299.9814 -183373.6182 -148934.2986 299.1424 -0.7583 28.9821 559551.3766 2.3784 2.1534 PRESSURE: 27000 18.5713 72.6258 72.772 72.6266 -17.5806 74.1684 72.772 74.166 -59.2376 GPRESSURE: 27000 64.4667 25.6407 24.844 -1.89589 -7.17285 33.2441 9.91923 56.1168 -6.17959 PRESSAVG: 27000 -41.6565 42.8086 -24.8294 42.8085 4.64194 10.5412 -24.8294 10.5413 13.2501 GPRESSAVG: 27000 -41.0862 45.2347 -26.8527 38.6717 4.13998 10.6411 -22.9693 10.4598 13.3229 TIMING: 27000 CPU: 78.4852, 0.00289261/step Wall: 78.4852, 0.00289261/step, 3.99582 hours remaining, 198.023438 MB of memory in use. ENERGY: 27000 770.4378 2047.8292 1989.6411 125.7342 -206411.3656 18037.0215 0.0000 0.0000 34603.7093 -148836.9925 302.2028 -183440.7018 -148737.5029 299.8673 -19.4156 17.0381 559505.3593 -7.9215 -7.8744 PRESSURE: 27200 -267.542 -16.4721 -131.556 -16.4708 188.055 42.9425 -131.555 42.9418 -138.019 GPRESSURE: 27200 -269.826 -75.0173 -139.736 16.6781 245.589 53.9582 -67.1169 62.9649 -101.352 PRESSAVG: 27200 -10.8419 64.4861 -7.5923 64.486 -23.3699 49.4433 -7.59229 49.4433 16.2343 GPRESSAVG: 27200 -11.6506 62.0407 -5.32347 66.8426 -24.1961 48.5764 -11.0814 48.9784 17.1174 TIMING: 27200 CPU: 79.0659, 0.00290344/step Wall: 79.0659, 0.00290344/step, 4.01062 hours remaining, 198.023438 MB of memory in use. ENERGY: 27200 769.7465 2130.7705 1988.7503 107.9987 -206027.3893 17755.1814 0.0000 0.0000 34225.8558 -149049.0861 298.9029 -183274.9419 -148959.1798 299.8653 -72.5018 -41.8630 558222.0970 -5.9925 -6.2431 PRESSURE: 27400 -18.6213 7.00471 -78.066 7.00354 59.9242 103.054 -78.0663 103.054 134.573 GPRESSURE: 27400 7.56936 19.4224 -90.2596 15.0611 64.7711 89.3639 -145.065 93.3911 203.715 PRESSAVG: 27400 -3.14041 -45.9144 -31.6422 -45.9145 34.2312 2.67137 -31.6422 2.67133 -0.675704 GPRESSAVG: 27400 -3.15499 -46.3825 -32.7181 -45.0517 34.4118 6.17237 -30.2879 -0.690791 -1.0139 TIMING: 27400 CPU: 79.6506, 0.00292389/step Wall: 79.6506, 0.00292389/step, 4.03871 hours remaining, 198.023438 MB of memory in use. ENERGY: 27400 747.0181 2085.2246 1969.6516 105.7086 -205976.9768 17839.9733 0.0000 0.0000 34272.3444 -148957.0562 299.3089 -183229.4006 -148858.9842 298.9819 58.6254 92.0185 559785.5813 10.1384 10.0810 PRESSURE: 27600 101.307 78.4945 73.565 78.4945 -155.951 44.9032 73.565 44.9007 37.8521 GPRESSURE: 27600 84.2758 194.23 67.0398 -45.3569 -70.0765 38.877 17.6188 44.8791 71.8119 PRESSAVG: 27600 -67.9238 -39.3015 -75.1901 -39.3014 26.5398 -2.63897 -75.1902 -2.63883 63.4392 GPRESSAVG: 27600 -67.8002 -36.1162 -75.9359 -42.8256 26.0812 -2.42281 -73.8976 1.1475 63.6146 TIMING: 27600 CPU: 80.2282, 0.00288778/step Wall: 80.2282, 0.00288778/step, 3.98866 hours remaining, 198.023438 MB of memory in use. ENERGY: 27600 771.1285 2060.3696 1960.7281 119.3549 -206203.8722 17981.5817 0.0000 0.0000 34273.2482 -149037.4612 299.3168 -183310.7094 -148928.4360 299.2040 -5.5973 28.6704 559104.3030 7.3517 7.2985 PRESSURE: 27800 -2.39033 98.0382 -184.012 98.039 -35.5664 -147.045 -184.013 -147.044 -51.1965 GPRESSURE: 27800 -10.2018 33.3624 -172.387 53.2221 27.5145 -98.3179 -149.942 -102.185 -12.271 PRESSAVG: 27800 46.4339 -46.7922 31.4381 -46.7922 -86.4652 37.8475 31.438 37.8476 42.9906 GPRESSAVG: 27800 45.6362 -48.0386 32.4376 -45.5982 -84.7134 35.3975 28.2233 36.2193 42.5589 TIMING: 27800 CPU: 80.8086, 0.00290206/step Wall: 80.8086, 0.00290206/step, 4.00822 hours remaining, 198.023438 MB of memory in use. ENERGY: 27800 778.3224 2099.9565 1980.0322 110.5448 -206467.4865 17877.3402 0.0000 0.0000 34508.9429 -149112.3475 301.3752 -183621.2905 -149011.0437 299.4172 -29.7178 1.6806 558406.3801 0.9864 1.1605 PRESSURE: 28000 -133.239 11.1069 -53.8393 11.108 -333.652 -111.291 -53.8375 -111.293 -16.8107 GPRESSURE: 28000 -115.839 -22.6733 -176.06 -65.0164 -371.226 -123.254 65.9821 -79.8093 95.8319 PRESSAVG: 28000 28.1597 -34.0507 -2.91935 -34.0507 -77.3075 7.46446 -2.91933 7.46437 47.6152 GPRESSAVG: 28000 29.3341 -34.5484 -5.29929 -31.7096 -78.0418 8.42258 -0.367432 8.89836 46.9151 TIMING: 28000 CPU: 81.3911, 0.00291246/step Wall: 81.3911, 0.00291246/step, 4.02244 hours remaining, 198.023438 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: 28000 764.1830 2117.2440 1991.4212 109.8420 -206114.9934 17608.7001 0.0000 0.0000 34294.2994 -149229.3036 299.5006 -183523.6030 -149128.1184 299.5877 -161.2340 -130.4111 557250.8521 -0.5109 -0.5975 PRESSURE: 28200 -85.2356 56.6011 -29.4812 56.6016 -119.879 -64.2835 -29.4809 -64.2858 -54.5973 GPRESSURE: 28200 -64.4777 12.0603 -52.9857 49.6312 -66.7912 -45.2767 -41.6252 -17.9296 -42.81 PRESSAVG: 28200 66.3066 25.01 -23.4574 25.01 -12.1465 44.9807 -23.4574 44.9808 -58.4238 GPRESSAVG: 28200 65.4958 23.7983 -22.6917 24.4726 -11.6428 45.4277 -24.0498 44.2041 -57.7794 TIMING: 28200 CPU: 81.9723, 0.00290608/step Wall: 81.9723, 0.00290608/step, 4.01346 hours remaining, 198.023438 MB of memory in use. ENERGY: 28200 747.9057 2095.1351 1984.2590 104.4068 -205986.7224 17664.2072 0.0000 0.0000 34261.9945 -149128.8141 299.2185 -183390.8086 -149032.2068 299.1502 -86.5706 -58.0263 558274.5733 -1.4213 -1.3088 LDB: ============= START OF LOAD BALANCING ============== 85.4427 LDB: ============== END OF LOAD BALANCING =============== 85.4429 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 85.4443 LDB: ============= START OF LOAD BALANCING ============== 85.7376 LDB: Largest compute 4820 load 0.027498 is 23.5% of average load 0.117217 LDB: Average compute 0.001724 is 1.5% of average load 0.117217 LDB: TIME 85.74 LOAD: AVG 0.117217 MAX 0.177629 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.383 MB LDB: TIME 85.7403 LOAD: AVG 0.117217 MAX 0.177629 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.383 MB LDB: TIME 85.7404 LOAD: AVG 0.117217 MAX 0.177629 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 85.7423 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 85.7462 PRESSURE: 28400 -454.416 -105.985 6.92589 -105.986 -115.95 37.8057 6.92643 37.8068 -105.729 GPRESSURE: 28400 -399.71 -81.9809 -0.994324 -160.378 -152.597 5.98744 -16.5405 62.8014 -36.6095 PRESSAVG: 28400 -53.5898 32.3864 -64.7055 32.3864 16.7124 -84.5153 -64.7055 -84.5152 25.5671 GPRESSAVG: 28400 -53.1 33.8398 -65.5862 31.6365 15.9398 -83.7361 -62.9687 -82.8854 25.7426 TIMING: 28400 CPU: 82.571, 0.00299324/step Wall: 82.571, 0.00299324/step, 4.13366 hours remaining, 198.726562 MB of memory in use. ENERGY: 28400 783.7712 2121.6754 1971.2689 108.3902 -206019.6705 17586.8757 0.0000 0.0000 34320.0797 -149127.6095 299.7258 -183447.6891 -149027.4393 299.4690 -225.3649 -196.3052 559273.0787 -3.7701 -3.8059 PRESSURE: 28600 164.032 58.5418 72.1731 58.5424 150.693 -90.4541 72.1725 -90.4545 -207.034 GPRESSURE: 28600 194.044 105.159 108.924 41.4637 184.007 -137.674 5.68389 -113.554 -153.034 PRESSAVG: 28600 -29.0991 19.9834 42.3667 19.9834 28.5979 -80.1401 42.3667 -80.14 5.37385 GPRESSAVG: 28600 -29.4011 19.5428 43.1991 21.7418 29.9302 -81.9768 41.6596 -80.6626 4.47879 TIMING: 28600 CPU: 83.1617, 0.00295378/step Wall: 83.1617, 0.00295378/step, 4.079 hours remaining, 198.929688 MB of memory in use. ENERGY: 28600 753.2381 2071.1197 1970.1098 112.2542 -206381.1886 17972.6739 0.0000 0.0000 34296.0054 -149205.7875 299.5155 -183501.7929 -149106.5556 299.7384 35.8969 75.0058 558176.2983 1.6242 1.6693 PRESSURE: 28800 -183.457 -114.279 46.2344 -114.279 -26.2904 42.1332 46.2343 42.1325 -187.902 GPRESSURE: 28800 -179.052 -88.0248 35.4267 -179.644 22.0988 89.079 135.994 -6.51543 -145.013 PRESSAVG: 28800 -52.1929 -33.9787 41.9701 -33.9787 123.265 -49.6998 41.9702 -49.6997 -69.8474 GPRESSAVG: 28800 -51.9309 -32.7602 41.5759 -37.1202 121.779 -49.4259 40.1954 -49.2174 -68.2958 TIMING: 28800 CPU: 83.7544, 0.00296325/step Wall: 83.7544, 0.00296325/step, 4.09192 hours remaining, 198.929688 MB of memory in use. ENERGY: 28800 738.5860 2064.0445 1975.0504 115.6821 -206061.6924 17710.0632 0.0000 0.0000 34162.1161 -149296.1501 298.3463 -183458.2662 -149204.8374 298.7772 -132.5497 -100.6554 559726.1826 0.4082 0.5175 PRESSURE: 29000 -189.886 -48.5609 -73.1891 -48.5613 428.457 85.0574 -73.1882 85.0576 41.5715 GPRESSURE: 29000 -202.98 -75.4511 -171.037 10.2729 450.767 59.6614 27.2732 63.2147 124.307 PRESSAVG: 29000 -25.9959 -6.38565 -1.37982 -6.38567 136.391 -33.4723 -1.37982 -33.4724 -48.8019 GPRESSAVG: 29000 -26.2668 -5.27404 -2.09055 -4.07786 137.719 -34.5635 0.795759 -34.643 -49.1998 TIMING: 29000 CPU: 84.3368, 0.0029124/step Wall: 84.3368, 0.0029124/step, 4.02153 hours remaining, 198.929688 MB of memory in use. ENERGY: 29000 744.9935 2125.1492 1972.8409 120.3735 -206636.7910 18115.0752 0.0000 0.0000 34244.6648 -149313.6938 299.0672 -183558.3586 -149217.0827 298.7954 93.3809 124.0314 558483.9576 20.5312 20.7509 PRESSURE: 29200 -17.1339 4.04292 44.196 4.04283 120.778 24.0966 44.196 24.097 195.949 GPRESSURE: 29200 -45.4544 94.2181 -2.70446 11.946 231.79 53.9512 49.588 -91.1188 210.024 PRESSAVG: 29200 6.96116 16.0009 53.1704 16.0009 18.0578 21.6632 53.1704 21.6634 -26.0746 GPRESSAVG: 29200 7.48659 11.8744 54.2245 16.5469 17.8421 21.6899 51.8271 21.5036 -26.6135 TIMING: 29200 CPU: 84.9157, 0.00289408/step Wall: 84.9157, 0.00289408/step, 3.99608 hours remaining, 198.929688 MB of memory in use. ENERGY: 29200 784.9402 2140.5340 1960.2168 105.0136 -206437.0950 18123.7900 0.0000 0.0000 34029.0271 -149293.5732 297.1840 -183322.6003 -149196.6964 298.5922 99.8643 132.1197 556498.8272 -0.3519 -0.4283 PRESSURE: 29400 -324.786 15.3223 8.84032 15.3207 -30.6005 17.9082 8.84009 17.9074 151.616 GPRESSURE: 29400 -286.034 -29.0325 -82.7972 -14.0205 3.34536 56.2453 67.8778 -109.378 159.478 PRESSAVG: 29400 -30.5557 24.9189 39.8661 24.9189 -11.3411 -9.65758 39.8661 -9.65759 17.9252 GPRESSAVG: 29400 -29.2246 26.5051 38.5051 26.7628 -11.585 -8.89477 40.6597 -9.20907 17.2443 TIMING: 29400 CPU: 85.4967, 0.00290496/step Wall: 85.4967, 0.00290496/step, 4.01095 hours remaining, 198.929688 MB of memory in use. ENERGY: 29400 775.1413 2130.5369 1975.5464 116.9146 -206050.6466 17650.0847 0.0000 0.0000 34178.2371 -149224.1856 298.4870 -183402.4227 -149126.0135 298.5389 -67.9237 -41.0702 558016.4115 -7.9905 -7.8551 PRESSURE: 29600 47.9136 -64.8583 -79.8315 -64.8587 238.505 70.6394 -79.8319 70.6397 -149.615 GPRESSURE: 29600 63.2165 -116.526 -38.2201 29.6933 246.458 41.1669 -146.75 139.211 -73.3802 PRESSAVG: 29600 -30.2407 -87.8951 -49.3905 -87.895 37.2294 1.38196 -49.3906 1.38199 26.2055 GPRESSAVG: 29600 -31.2914 -87.3756 -50.0341 -88.7569 36.9812 -0.0473327 -49.21 3.45035 27.4831 TIMING: 29600 CPU: 86.0728, 0.00288096/step Wall: 86.0728, 0.00288096/step, 3.97765 hours remaining, 198.929688 MB of memory in use. ENERGY: 29600 737.7736 2097.2755 1981.8057 114.2219 -206291.0894 17795.7143 0.0000 0.0000 34160.0148 -149404.2837 298.3279 -183564.2985 -149310.0424 298.3589 45.6013 78.7647 555082.9284 11.0647 11.0576 PRESSURE: 29800 -135.257 12.5261 111.076 12.5254 248.607 -148.237 111.076 -148.237 -93.201 GPRESSURE: 29800 -84.4758 -9.88159 74.0455 28.4787 272.879 -181.404 84.5665 -168.306 -75.8279 PRESSAVG: 29800 34.1355 -24.89 44.07 -24.89 6.65238 -8.51638 44.0699 -8.51649 -13.2103 GPRESSAVG: 29800 34.1236 -24.2789 46.5035 -27.2307 6.18371 -7.0688 42.804 -12.2909 -13.1161 TIMING: 29800 CPU: 86.6485, 0.00287813/step Wall: 86.6485, 0.00287813/step, 3.97358 hours remaining, 198.929688 MB of memory in use. ENERGY: 29800 785.9569 2087.4666 1972.3291 118.6497 -206020.3116 17737.9370 0.0000 0.0000 34002.5687 -149315.4037 296.9529 -183317.9724 -149216.2832 298.1634 6.7164 37.5250 556531.1160 9.1925 9.0637 PRESSURE: 30000 -230.007 -41.4858 -41.3981 -41.4835 -140.985 62.7085 -41.3977 62.7081 44.4475 GPRESSURE: 30000 -188.571 -15.8306 -85.1236 2.08799 -95.0819 14.7805 -59.968 30.0479 66.3369 PRESSAVG: 30000 -52.4287 37.0213 37.3 37.0213 36.282 13.363 37.3 13.3628 -11.1515 GPRESSAVG: 30000 -52.8629 37.8177 34.8326 36.6477 37.864 13.0962 37.5018 14.7491 -12.1835 TIMING: 30000 CPU: 87.2295, 0.00290515/step Wall: 87.2295, 0.00290515/step, 4.01073 hours remaining, 198.929688 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: 30000 738.1215 2046.4428 1955.7328 115.5514 -205923.5139 17650.7482 0.0000 0.0000 34151.2620 -149265.6553 298.2515 -183416.9173 -149174.7263 298.9926 -108.8483 -72.4388 556991.2824 -9.0994 -9.0608 PRESSURE: 30200 324.207 63.0067 5.36701 63.0069 41.9477 20.7711 5.36654 20.7707 350.784 GPRESSURE: 30200 304.366 92.1495 -0.984664 28.2373 134.793 2.31074 -38.0194 64.2936 370.025 PRESSAVG: 30200 -41.6541 -54.3499 17.4582 -54.35 -21.7466 -14.6974 17.4582 -14.6973 78.8187 GPRESSAVG: 30200 -41.8002 -56.464 18.4976 -52.6294 -23.7339 -14.5084 17.7327 -14.651 80.2944 TIMING: 30200 CPU: 87.8086, 0.00289551/step Wall: 87.8086, 0.00289551/step, 3.99725 hours remaining, 198.929688 MB of memory in use. ENERGY: 30200 763.8224 2037.8531 1993.1850 128.3113 -207008.0465 18372.1640 0.0000 0.0000 34375.8672 -149336.8436 300.2130 -183712.7107 -149246.9846 298.6109 238.9795 269.7278 555068.2412 5.1393 4.9201 PRESSURE: 30400 -134.678 -195.12 16.0976 -195.121 -4.31465 -50.789 16.0979 -50.7889 177.031 GPRESSURE: 30400 -100.894 -265.194 7.0193 -145.255 48.175 64.8621 10.6423 -106.205 186.132 PRESSAVG: 30400 -23.291 -29.2017 33.3123 -29.2018 40.9002 47.0989 33.3124 47.099 6.52228 GPRESSAVG: 30400 -23.5659 -27.4319 32.3941 -30.7529 42.9922 47.7441 32.6788 46.4958 5.09241 TIMING: 30400 CPU: 88.3863, 0.00288864/step Wall: 88.3863, 0.00288864/step, 3.9876 hours remaining, 198.929688 MB of memory in use. ENERGY: 30400 746.5614 2019.4039 1961.2946 105.7546 -206139.2898 17696.9537 0.0000 0.0000 34276.5377 -149332.7840 299.3455 -183609.3217 -149247.4770 298.4026 12.6795 44.4711 555772.3558 8.0438 8.1729 PRESSURE: 30600 -106.727 74.5625 -13.3411 74.5625 239.218 -26.1917 -13.3396 -26.1911 18.2523 GPRESSURE: 30600 -66.7349 111.655 -28.8672 44.9588 290.095 -27.1501 -83.3899 19.5792 24.0577 PRESSAVG: 30600 3.36977 -35.5009 -6.65662 -35.5011 -6.56878 -29.3359 -6.65657 -29.336 -10.1304 GPRESSAVG: 30600 5.54835 -34.8175 -5.51988 -34.1397 -7.84039 -30.9439 -5.87708 -28.5403 -11.2054 TIMING: 30600 CPU: 88.9649, 0.00289261/step Wall: 88.9649, 0.00289261/step, 3.99292 hours remaining, 198.929688 MB of memory in use. ENERGY: 30600 720.5897 2036.1722 1968.4532 112.0894 -206402.3198 17882.8433 0.0000 0.0000 34478.9490 -149203.2230 301.1132 -183682.1720 -149102.1333 298.8120 50.2477 82.4727 555564.9051 -4.4431 -4.4991 PRESSURE: 30800 35.3231 145.417 -132.405 145.417 84.8395 -37.2032 -132.405 -37.2043 -175.305 GPRESSURE: 30800 80.4254 55.8673 -1.31256 110.015 165.771 -76.1826 -277.757 16.4689 -193.031 PRESSAVG: 30800 4.24683 -1.01567 -2.573 -1.01568 -1.9385 -89.7835 -2.57313 -89.7835 -9.66563 GPRESSAVG: 30800 3.35713 -2.52772 -2.95232 -2.91201 -1.69753 -89.1286 -1.96341 -89.7938 -8.92084 TIMING: 30800 CPU: 89.5452, 0.00290194/step Wall: 89.5452, 0.00290194/step, 4.00564 hours remaining, 198.929688 MB of memory in use. ENERGY: 30800 776.4751 2022.5569 1985.7426 124.7873 -206168.1037 17943.9776 0.0000 0.0000 34200.9670 -149113.5971 298.6856 -183314.5641 -149018.1394 299.1736 -18.3808 17.7219 556555.5210 -2.4524 -2.4204 PRESSURE: 31000 29.2866 -75.9442 174.794 -75.9443 -107.585 -63.6078 174.794 -63.607 -27.2507 GPRESSURE: 31000 33.612 -10.1797 99.3678 -98.8398 -115.279 -34.401 209.765 -111.451 61.1306 PRESSAVG: 31000 -32.4476 -13.7859 8.02181 -13.7859 -9.99822 -34.2761 8.02185 -34.2761 13.9881 GPRESSAVG: 31000 -33.2424 -14.2891 8.85574 -13.0933 -10.6279 -34.8829 7.00011 -34.2349 15.21 TIMING: 31000 CPU: 90.1275, 0.00291112/step Wall: 90.1275, 0.00291112/step, 4.01815 hours remaining, 198.929688 MB of memory in use. ENERGY: 31000 732.3382 2110.4739 1978.0466 107.8491 -205824.9513 17642.4106 0.0000 0.0000 34138.2676 -149115.5653 298.1380 -183253.8329 -149015.6393 299.3470 -35.1832 -6.8454 557662.6730 -9.4859 -9.5534 PRESSURE: 31200 -324.712 100.738 56.7413 100.74 218.227 42.0267 56.7423 42.0287 -117.893 GPRESSURE: 31200 -224.886 92.7831 73.2598 84.2192 215.309 65.5124 -17.8174 -10.5816 -116.863 PRESSAVG: 31200 -45.365 1.61261 -8.95429 1.61253 25.8288 -3.31616 -8.95433 -3.31617 12.9694 GPRESSAVG: 31200 -44.3717 1.92822 -7.60138 0.909223 25.619 -1.61286 -9.91617 -4.55368 12.144 TIMING: 31200 CPU: 90.7123, 0.00292401/step Wall: 90.7123, 0.00292401/step, 4.03578 hours remaining, 198.929688 MB of memory in use. ENERGY: 31200 728.4733 2042.8267 1982.3616 113.6421 -206229.7189 17723.1272 0.0000 0.0000 34323.5098 -149315.7781 299.7557 -183639.2880 -149225.2546 298.8895 -74.7927 -42.1470 557792.1628 -2.1889 -2.2029 PRESSURE: 31400 -140.45 -46.9687 107.892 -46.9679 -152.832 -138.611 107.891 -138.613 25.3568 GPRESSURE: 31400 -86.3994 -13.2303 188.812 -30.5461 -138.466 -77.7511 51.524 -145.007 67.6892 PRESSAVG: 31400 45.7523 8.33715 -20.5241 8.33708 18.7304 -59.933 -20.5241 -59.933 -80.5139 GPRESSAVG: 31400 44.4588 7.78429 -20.6532 9.18427 18.6169 -63.199 -20.3513 -58.1076 -79.4545 TIMING: 31400 CPU: 91.2964, 0.00292067/step Wall: 91.2964, 0.00292067/step, 4.03101 hours remaining, 198.929688 MB of memory in use. ENERGY: 31400 722.1738 2134.0310 1937.7587 124.2290 -205878.6157 17421.8539 0.0000 0.0000 34303.0620 -149235.5073 299.5772 -183538.5694 -149136.9894 297.9589 -89.3085 -52.3919 556731.1467 -5.3437 -5.4596 PRESSURE: 31600 -14.0453 46.4183 -104.195 46.4198 -150.125 103.467 -104.194 103.468 19.0436 GPRESSURE: 31600 55.2988 76.6758 -81.9467 -11.4004 -150.654 150.821 -97.3066 106.029 46.0002 PRESSAVG: 31600 22.0421 -60.05 35.6019 -60.05 -14.97 -9.44361 35.602 -9.44351 -28.135 GPRESSAVG: 31600 22.474 -57.6942 36.8901 -61.7895 -14.4464 -8.435 33.9364 -10.0484 -28.421 TIMING: 31600 CPU: 91.8807, 0.00292128/step Wall: 91.8807, 0.00292128/step, 4.03169 hours remaining, 198.929688 MB of memory in use. ENERGY: 31600 724.7677 2075.4161 1983.4019 107.1497 -205797.0503 17499.2939 0.0000 0.0000 34232.9839 -149174.0370 298.9652 -183407.0209 -149076.8065 298.4485 -48.3757 -16.4515 556591.3146 -7.0210 -6.7978 PRESSURE: 31800 275.067 176.958 28.3004 176.959 73.8864 -22.4664 28.2996 -22.4675 75.7468 GPRESSURE: 31800 284.614 150.631 44.8259 119.444 88.3173 -98.8676 53.5209 16.5788 144.372 PRESSAVG: 31800 41.3505 29.8436 -13.9784 29.8436 -26.5677 14.3187 -13.9784 14.3187 -1.62111 GPRESSAVG: 31800 41.5755 26.9634 -16.7048 31.1027 -26.6454 16.3857 -10.6731 12.2112 -1.89101 TIMING: 31800 CPU: 92.4652, 0.00292297/step Wall: 92.4652, 0.00292297/step, 4.03386 hours remaining, 198.929688 MB of memory in use. ENERGY: 31800 756.4146 2087.7945 1972.4859 105.3028 -206557.6576 18149.6572 0.0000 0.0000 34327.7857 -149158.2168 299.7931 -183486.0025 -149067.7537 299.1266 141.5667 172.4344 557703.5777 4.3872 4.3463 PRESSURE: 32000 39.2178 35.3557 41.471 35.3562 267.141 -87.826 41.4715 -87.825 209.385 GPRESSURE: 32000 162.027 94.667 10.3743 19.8158 310.92 -38.7308 140.701 -73.6992 127.376 PRESSAVG: 32000 3.09997 -23.7266 2.97617 -23.7266 24.8939 30.2019 2.97615 30.2019 -26.2927 GPRESSAVG: 32000 2.42505 -25.085 2.75435 -23.7786 25.7301 28.9597 3.72128 31.7545 -26.5177 TIMING: 32000 CPU: 93.0519, 0.00293319/step Wall: 93.0519, 0.00293319/step, 4.0478 hours remaining, 198.929688 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: 32000 710.7197 2102.5402 1958.0656 111.9203 -206447.7513 18067.7778 0.0000 0.0000 34162.9208 -149333.8069 298.3533 -183496.7278 -149241.5288 298.7733 171.9146 200.1076 557107.7118 0.5671 0.5458 PRESSURE: 32200 34.1969 40.027 140.791 40.0262 108.683 166.781 140.791 166.781 54.1186 GPRESSURE: 32200 56.1421 -75.8514 96.6071 71.0984 177.043 120.203 235.839 103.653 64.3992 PRESSAVG: 32200 2.95272 37.3584 6.33142 37.3583 29.8951 45.8653 6.33143 45.8653 -20.7156 GPRESSAVG: 32200 2.80536 37.3142 5.96852 38.3594 29.8533 46.1309 6.18726 44.698 -20.6875 TIMING: 32200 CPU: 93.6306, 0.0028936/step Wall: 93.6306, 0.0028936/step, 3.993 hours remaining, 198.929688 MB of memory in use. ENERGY: 32200 761.6614 2062.4598 1989.6857 112.3245 -206406.8046 17996.4004 0.0000 0.0000 34073.7776 -149410.4950 297.5748 -183484.2726 -149318.4775 298.4901 65.6660 99.1947 557806.2291 4.0441 3.9904 LDB: ============= START OF LOAD BALANCING ============== 97.0968 LDB: ============== END OF LOAD BALANCING =============== 97.097 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 97.0986 LDB: ============= START OF LOAD BALANCING ============== 97.39 LDB: Largest compute 4827 load 0.027095 is 23.1% of average load 0.117256 LDB: Average compute 0.001724 is 1.5% of average load 0.117256 LDB: TIME 97.3923 LOAD: AVG 0.117256 MAX 0.178729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.254 MB LDB: TIME 97.3926 LOAD: AVG 0.117256 MAX 0.178729 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.254 MB LDB: TIME 97.3927 LOAD: AVG 0.117256 MAX 0.178729 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 97.3945 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 97.3987 PRESSURE: 32400 -45.8559 100.32 15.2493 100.32 -263.151 106.972 15.2491 106.97 -158.551 GPRESSURE: 32400 -76.1981 46.7761 -49.9218 228.985 -192.038 94.8063 142.865 94.8231 -107.965 PRESSAVG: 32400 14.5013 -34.387 63.4119 -34.387 -8.06389 61.6761 63.4119 61.676 -1.25341 GPRESSAVG: 32400 14.2237 -32.7261 63.111 -34.8314 -7.5462 60.3218 62.1996 62.2559 -2.03045 TIMING: 32400 CPU: 94.2234, 0.00296414/step Wall: 94.2234, 0.00296414/step, 4.09018 hours remaining, 197.183594 MB of memory in use. ENERGY: 32400 732.8500 2070.2815 2006.6619 109.2865 -205690.7980 17307.4402 0.0000 0.0000 34016.8642 -149447.4138 297.0777 -183464.2780 -149347.0719 298.3789 -155.8528 -125.4003 557915.5260 1.7280 1.5490 PRESSURE: 32600 186.37 127.634 -38.8592 127.633 -0.101367 16.058 -38.859 16.0543 130.42 GPRESSURE: 32600 270.949 148.663 -74.3098 175.101 -49.63 -25.8014 -59.658 81.5494 180.938 PRESSAVG: 32600 22.6669 20.88 23.5097 20.88 -15.6972 22.2417 23.5097 22.2417 21.1019 GPRESSAVG: 32600 22.5179 20.747 24.333 20.9939 -17.3784 24.1701 23.1714 21.6494 23.0941 TIMING: 32600 CPU: 94.8068, 0.00291705/step Wall: 94.8068, 0.00291705/step, 4.02504 hours remaining, 197.386719 MB of memory in use. ENERGY: 32600 699.7627 2105.6743 1980.9025 101.0187 -206496.4175 17982.8588 0.0000 0.0000 34127.4402 -149498.7603 298.0434 -183626.2005 -149395.7657 298.1976 105.5626 134.0856 558443.1652 9.3572 9.4112 PRESSURE: 32800 -235.141 -66.1352 67.073 -66.1364 -387.006 97.9119 67.0733 97.9123 -298.301 GPRESSURE: 32800 -222.686 -90.2335 82.6119 -92.2836 -350.987 76.0354 49.4267 3.51027 -259.96 PRESSAVG: 32800 33.5604 -27.8767 20.2796 -27.8767 -34.3822 -11.7332 20.2797 -11.7332 -12.826 GPRESSAVG: 32800 33.6925 -26.8265 20.7737 -28.1737 -33.303 -13.1217 20.1095 -11.3639 -13.6818 TIMING: 32800 CPU: 95.388, 0.00290555/step Wall: 95.388, 0.00290555/step, 4.00902 hours remaining, 197.386719 MB of memory in use. ENERGY: 32800 759.2465 2117.0827 1997.6399 111.8876 -206255.0349 17744.4716 0.0000 0.0000 34181.1848 -149343.5218 298.5128 -183524.7066 -149253.3748 298.2053 -306.8160 -277.8776 560553.7912 -4.5493 -4.4308 PRESSURE: 33000 67.354 -94.3148 82.6047 -94.315 321.087 67.0541 82.6056 67.0549 46.4492 GPRESSURE: 33000 99.2547 -91.0224 112.39 -61.417 340.548 -14.2714 93.7381 60.3708 95.0864 PRESSAVG: 33000 42.1461 -10.953 11.0741 -10.9529 -15.1457 11.2804 11.0742 11.2803 -60.6366 GPRESSAVG: 33000 42.5026 -11.797 9.45001 -11.685 -15.2967 11.8354 11.6864 12.8021 -61.181 TIMING: 33000 CPU: 95.9657, 0.00288854/step Wall: 95.9657, 0.00288854/step, 3.98538 hours remaining, 197.386719 MB of memory in use. ENERGY: 33000 764.2805 2057.9644 1981.2853 110.5375 -206412.3897 18048.7098 0.0000 0.0000 34111.8165 -149337.7957 297.9070 -183449.6122 -149244.4176 298.5848 144.9634 178.2965 556781.8931 -11.2121 -11.3250 PRESSURE: 33200 136.414 36.3091 55.4064 36.3095 53.2564 -5.74442 55.4079 -5.74413 136.983 GPRESSURE: 33200 150.815 109.298 63.7102 -22.4582 157.009 -39.1177 57.3334 -5.23287 132.704 PRESSAVG: 33200 30.9936 -31.0626 17.7128 -31.0627 24.7524 10.2861 17.7128 10.2861 -51.0017 GPRESSAVG: 33200 31.1611 -30.2035 17.9422 -29.716 24.71 9.99749 17.7109 8.1232 -51.0352 TIMING: 33200 CPU: 96.5473, 0.00290826/step Wall: 96.5473, 0.00290826/step, 4.01243 hours remaining, 197.386719 MB of memory in use. ENERGY: 33200 692.5193 2095.9409 1974.4939 116.3442 -206384.3378 18095.7080 0.0000 0.0000 34301.4121 -149107.9195 299.5628 -183409.3315 -149009.4252 298.6710 108.8845 146.8427 558037.6592 1.5814 1.6120 PRESSURE: 33400 -125.639 -155.931 -182.645 -155.931 -124.177 -67.1945 -182.646 -67.1932 125.248 GPRESSURE: 33400 -74.703 -95.9905 -218.503 -188.837 -142.822 -115.957 -140.878 -145.02 186.184 PRESSAVG: 33400 -52.8509 -29.461 -12.4512 -29.461 -12.2353 -31.8781 -12.4513 -31.8781 20.226 GPRESSAVG: 33400 -53.0137 -30.3539 -11.3188 -29.96 -12.8612 -32.6545 -12.2897 -30.9177 20.8672 TIMING: 33400 CPU: 97.1306, 0.00291631/step Wall: 97.1306, 0.00291631/step, 4.02338 hours remaining, 197.386719 MB of memory in use. ENERGY: 33400 767.7848 2048.6200 1978.4421 108.1426 -206377.8158 18034.4415 0.0000 0.0000 34232.3282 -149208.0566 298.9594 -183440.3848 -149115.8061 299.0828 -41.5225 -10.4471 558957.8803 -14.9534 -15.0026 PRESSURE: 33600 -116.204 -65.3489 126.559 -65.3499 -226.34 292.002 126.558 292.002 -169.782 GPRESSURE: 33600 -95.0693 -119.371 67.6925 -132.307 -167.757 248.352 154.603 203.18 -154.086 PRESSAVG: 33600 23.8629 -0.608846 -47.8282 -0.608904 -48.5492 70.7287 -47.8282 70.7287 -0.196802 GPRESSAVG: 33600 22.9472 -0.284189 -48.2073 0.741087 -49.1493 70.8007 -47.6121 71.2399 0.994927 TIMING: 33600 CPU: 97.7153, 0.0029238/step Wall: 97.7153, 0.0029238/step, 4.03354 hours remaining, 197.386719 MB of memory in use. ENERGY: 33600 709.7216 2103.4251 1968.8889 117.0336 -206100.1086 17570.7618 0.0000 0.0000 34417.0784 -149213.1992 300.5729 -183630.2776 -149110.3542 299.1245 -170.7750 -138.9708 558403.8391 -8.2943 -8.4024 PRESSURE: 33800 49.2722 -53.4401 49.9081 -53.4409 135.839 40.5031 49.9072 40.5048 62.642 GPRESSURE: 33800 99.1058 -84.9135 -34.6414 -7.08085 102.226 60.7364 39.462 27.9684 122.234 PRESSAVG: 33800 2.06588 -27.0173 -9.53308 -27.0173 -30.2348 21.1261 -9.53313 21.126 41.6186 GPRESSAVG: 33800 2.36613 -27.0801 -9.07947 -26.8447 -30.5618 21.8743 -9.49818 20.0183 41.4003 TIMING: 33800 CPU: 98.2953, 0.00289984/step Wall: 98.2953, 0.00289984/step, 4.00033 hours remaining, 197.386719 MB of memory in use. ENERGY: 33800 774.9832 2086.5625 1954.1897 117.8585 -206422.4539 18015.7303 0.0000 0.0000 34265.9937 -149207.1360 299.2534 -183473.1297 -149111.3380 298.8343 82.5844 107.8553 557745.1916 4.4832 4.4015 PRESSURE: 34000 33.4809 -133.887 47.2784 -133.887 -106.213 -116.746 47.2788 -116.746 -80.2279 GPRESSURE: 34000 44.0859 -116.867 108.015 -79.4688 -14.4002 -121.907 62.1765 -104.203 -88.382 PRESSAVG: 34000 -23.1774 -29.7766 -5.6416 -29.7766 32.2631 7.497 -5.64164 7.49685 -29.7117 GPRESSAVG: 34000 -23.1429 -28.6053 -3.43974 -32.0803 34.3405 6.55261 -7.56781 6.90442 -31.6577 TIMING: 34000 CPU: 98.8756, 0.00290159/step Wall: 98.8756, 0.00290159/step, 4.00258 hours remaining, 197.386719 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: 34000 725.1033 2100.5576 1971.8861 116.6280 -206097.6656 17650.8558 0.0000 0.0000 34355.0060 -149177.6288 300.0308 -183532.6348 -149080.9635 299.3773 -50.9867 -19.5654 558605.4033 -6.8753 -6.8200 PRESSURE: 34200 -106.157 -122.904 -40.517 -122.906 -159.42 130.232 -40.517 130.233 -147.398 GPRESSURE: 34200 -60.4504 -100.933 -157.995 -148.679 -131.754 91.8987 34.1775 134.234 -127.063 PRESSAVG: 34200 -7.77405 -27.651 -52.7267 -27.6509 59.0404 35.7157 -52.7267 35.7157 -31.2934 GPRESSAVG: 34200 -8.85743 -27.3121 -54.6801 -25.9613 58.1301 33.8658 -51.3349 35.6356 -29.9022 TIMING: 34200 CPU: 99.4553, 0.00289836/step Wall: 99.4553, 0.00289836/step, 3.99797 hours remaining, 197.386719 MB of memory in use. ENERGY: 34200 706.0566 2071.6744 2002.4491 111.0668 -205878.5844 17520.9939 0.0000 0.0000 34380.2333 -149086.1103 300.2511 -183466.3436 -148983.7688 299.7111 -137.6581 -106.4223 557148.1161 6.6577 6.4568 PRESSURE: 34400 -345.477 -43.4233 -111.262 -43.4226 16.2145 -74.9037 -111.262 -74.9042 92.7 GPRESSURE: 34400 -337.43 -49.7832 -68.3335 5.06 12.7644 -62.9603 -76.746 -34.5655 185.987 PRESSAVG: 34400 -11.3622 38.8871 -21.1938 38.8872 11.1782 6.39216 -21.194 6.39223 57.9161 GPRESSAVG: 34400 -11.2252 39.1707 -21.5838 35.6677 10.8413 9.38453 -21.1405 6.02062 57.8788 TIMING: 34400 CPU: 100.034, 0.00289593/step Wall: 100.034, 0.00289593/step, 3.99446 hours remaining, 197.386719 MB of memory in use. ENERGY: 34400 742.9427 2030.9733 1980.5183 115.5881 -205963.4081 17593.0529 0.0000 0.0000 34313.6353 -149186.6975 299.6695 -183500.3328 -149086.9176 299.5975 -78.8542 -46.2263 558197.6384 19.2440 19.1650 PRESSURE: 34600 -56.8869 -15.2575 112.222 -15.2578 -312.641 25.3767 112.22 25.3757 -187.791 GPRESSURE: 34600 -93.0838 49.9504 149.882 -106.016 -278.039 49.8366 142.226 -63.3127 -89.3477 PRESSAVG: 34600 -10.0901 2.07485 33.9468 2.07488 38.6428 -16.016 33.9468 -16.016 -13.3849 GPRESSAVG: 34600 -10.185 1.30617 34.5881 5.07115 38.147 -14.8153 32.7908 -16.394 -13.2183 TIMING: 34600 CPU: 100.617, 0.00291428/step Wall: 100.617, 0.00291428/step, 4.0196 hours remaining, 197.386719 MB of memory in use. ENERGY: 34600 763.1190 2075.5857 2008.9352 114.3073 -206038.6176 17642.7995 0.0000 0.0000 34131.8704 -149302.0007 298.0821 -183433.8711 -149216.1244 298.8767 -185.7729 -153.4901 558652.1937 5.0559 4.9146 PRESSURE: 34800 -190.436 2.84778 9.00958 2.84924 -250.682 8.2479 9.00926 8.24739 -229.563 GPRESSURE: 34800 -156.781 -48.4063 74.2196 47.7107 -228.879 -34.1317 -54.8487 62.1039 -201.082 PRESSAVG: 34800 -53.6612 9.09308 28.775 9.09304 -1.60379 58.9615 28.7749 58.9616 45.6353 GPRESSAVG: 34800 -52.0878 9.5313 28.928 7.92807 -3.18023 58.512 30.2085 58.5779 45.5967 TIMING: 34800 CPU: 101.199, 0.00291076/step Wall: 101.199, 0.00291076/step, 4.01458 hours remaining, 197.386719 MB of memory in use. ENERGY: 34800 753.2048 2120.6488 1991.8220 114.8636 -205691.6006 17465.7980 0.0000 0.0000 33992.7854 -149252.4780 296.8674 -183245.2634 -149161.3946 297.9193 -223.5603 -195.5808 557868.5038 -3.2099 -3.2238 PRESSURE: 35000 6.82504 -188.903 39.8469 -188.903 -126.082 -70.7536 39.8477 -70.7534 -167.688 GPRESSURE: 35000 7.18189 -125.13 4.73582 -195.441 -96.7686 -52.1852 56.7553 -113.954 -91.6751 PRESSAVG: 35000 -10.8756 -40.6183 59.2908 -40.6184 -39.8733 -25.1737 59.2907 -25.1736 77.4459 GPRESSAVG: 35000 -11.7492 -41.8796 57.7636 -40.8206 -38.6285 -24.1096 59.6675 -24.4384 77.0493 TIMING: 35000 CPU: 101.781, 0.0029078/step Wall: 101.781, 0.0029078/step, 4.01034 hours remaining, 197.386719 MB of memory in use. ENERGY: 35000 708.4602 2113.5382 1984.8879 112.2261 -205996.2664 17576.1192 0.0000 0.0000 34235.8219 -149265.2129 298.9899 -183501.0348 -149165.4759 298.0640 -95.6482 -60.4206 556866.4054 8.8990 8.8905 PRESSURE: 35200 89.6271 10.1031 59.5293 10.1028 168.695 -94.4758 59.528 -94.4756 167.454 GPRESSURE: 35200 109.718 -108.884 105.438 43.5654 236.287 -88.8083 3.57913 -157.524 170.621 PRESSAVG: 35200 -3.77316 5.03749 10.2934 5.0375 1.12379 9.41248 10.2934 9.41246 20.3851 GPRESSAVG: 35200 -3.8896 6.85465 10.5054 6.64416 0.957212 8.65536 9.91414 7.85594 20.8558 TIMING: 35200 CPU: 102.361, 0.00289842/step Wall: 102.361, 0.00289842/step, 3.99724 hours remaining, 197.386719 MB of memory in use. ENERGY: 35200 743.2014 2105.6759 1979.3235 112.5627 -206630.1328 18079.5180 0.0000 0.0000 34201.0700 -149408.7812 298.6865 -183609.8512 -149315.6123 298.5966 141.9253 172.2087 557625.9087 5.9119 5.9745 PRESSURE: 35400 -166.31 -14.2614 -57.866 -14.2623 16.6674 -45.652 -57.8663 -45.6531 -227.551 GPRESSURE: 35400 -105.875 12.1941 -36.8686 -0.120792 18.3094 -28.0788 -44.2934 -121.667 -191.133 PRESSAVG: 35400 -116.444 20.9285 -73.3054 20.9285 54.1938 22.6824 -73.3055 22.6823 25.2924 GPRESSAVG: 35400 -116.565 19.4689 -71.9149 19.9455 53.8957 22.4038 -74.2523 25.7327 24.9679 TIMING: 35400 CPU: 102.941, 0.00289893/step Wall: 102.941, 0.00289893/step, 3.99779 hours remaining, 197.386719 MB of memory in use. ENERGY: 35400 735.8878 2075.3109 2001.7611 113.2307 -206429.7878 17762.3589 0.0000 0.0000 34168.9747 -149572.2636 298.4062 -183741.2383 -149474.1689 298.3269 -125.7313 -92.8994 557224.0762 -12.3194 -12.5671 PRESSURE: 35600 -210.31 15.0792 72.268 15.0798 -234.259 60.8707 72.2681 60.8695 201.383 GPRESSURE: 35600 -165.27 -61.2877 67.4862 99.5113 -197.218 -20.8308 61.4217 127.995 213.744 PRESSAVG: 35600 -32.627 33.5857 -13.9255 33.5856 8.66655 -26.7662 -13.9256 -26.7663 5.39936 GPRESSAVG: 35600 -32.8905 33.2385 -14.0839 34.385 9.52018 -29.0792 -13.033 -26.8931 4.99353 TIMING: 35600 CPU: 103.522, 0.00290873/step Wall: 103.522, 0.00290873/step, 4.01114 hours remaining, 197.386719 MB of memory in use. ENERGY: 35600 746.8369 2064.0473 1986.5517 112.8074 -206189.1199 17780.3137 0.0000 0.0000 34161.5075 -149337.0555 298.3409 -183498.5630 -149239.8506 298.3171 -81.0622 -49.5814 557305.9741 -6.1870 -6.1256 PRESSURE: 35800 -152.02 -23.6683 -169.922 -23.6688 103.85 -40.5074 -169.922 -40.5094 -211.39 GPRESSURE: 35800 -113.175 -99.5588 -146.864 -10.2063 140.229 -101.437 -171.524 -34.2636 -196.572 PRESSAVG: 35800 -24.1652 34.7675 12.2503 34.7674 -45.2717 -8.42094 12.2503 -8.42097 77.9128 GPRESSAVG: 35800 -23.4632 36.1866 12.2234 33.643 -45.9917 -6.74121 10.9057 -9.21556 77.9034 TIMING: 35800 CPU: 104.103, 0.00290371/step Wall: 104.103, 0.00290371/step, 4.00405 hours remaining, 197.386719 MB of memory in use. ENERGY: 35800 761.2864 2118.4121 1985.0477 118.8385 -206465.0207 17873.9978 0.0000 0.0000 34103.8139 -149503.6243 297.8371 -183607.4381 -149408.2265 297.4640 -86.5200 -56.5061 558197.4248 2.8253 2.8161 PRESSURE: 36000 142.403 -62.5305 93.8114 -62.5299 68.9038 175.845 93.8117 175.844 221.128 GPRESSURE: 36000 204.708 -5.41853 3.67569 -21.6327 121.827 88.0672 121.741 177.066 206.606 PRESSAVG: 36000 -6.32635 -33.1693 -11.6572 -33.1693 -27.0778 -14.1827 -11.6571 -14.1827 36.847 GPRESSAVG: 36000 -7.71476 -34.856 -13.526 -31.7422 -27.5763 -14.9952 -9.66409 -13.8935 38.4086 TIMING: 36000 CPU: 104.684, 0.00290675/step Wall: 104.684, 0.00290675/step, 4.00808 hours remaining, 197.386719 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: 36000 742.3266 2065.5023 2008.6511 115.7009 -206735.2421 18261.9059 0.0000 0.0000 33947.1356 -149594.0197 296.4688 -183541.1553 -149500.4474 297.1802 144.1450 177.7137 558455.1597 1.1476 1.0392 PRESSURE: 36200 -278.16 151.15 19.0868 151.149 152.38 -25.0852 19.0867 -25.0868 156.724 GPRESSURE: 36200 -230.388 54.8622 112.055 169.488 218.62 -38.4448 -41.9409 -76.8758 128.024 PRESSAVG: 36200 -28.6132 -38.8869 25.1264 -38.8869 21.3643 17.9374 25.1264 17.9376 33.5916 GPRESSAVG: 36200 -28.3813 -38.6249 25.4435 -40.0519 22.3388 18.2488 24.6371 16.9523 32.7564 TIMING: 36200 CPU: 105.266, 0.00290616/step Wall: 105.266, 0.00290616/step, 4.00711 hours remaining, 197.386719 MB of memory in use. ENERGY: 36200 755.4204 2134.3508 1985.2392 113.7016 -206635.1876 18008.5248 0.0000 0.0000 34169.5456 -149468.4052 298.4111 -183637.9508 -149378.1912 297.1006 10.3145 38.7521 559214.3768 8.7809 8.9047 LDB: ============= START OF LOAD BALANCING ============== 108.732 LDB: ============== END OF LOAD BALANCING =============== 108.732 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 108.733 LDB: ============= START OF LOAD BALANCING ============== 109.023 LDB: Largest compute 4820 load 0.026664 is 22.7% of average load 0.117286 LDB: Average compute 0.001722 is 1.5% of average load 0.117286 LDB: TIME 109.025 LOAD: AVG 0.117286 MAX 0.177798 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.219 MB LDB: TIME 109.025 LOAD: AVG 0.117286 MAX 0.177798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.289 MB LDB: TIME 109.026 LOAD: AVG 0.117286 MAX 0.177798 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 109.027 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 109.032 PRESSURE: 36400 14.0098 98.9604 173.903 98.9597 -262.04 129.274 173.902 129.275 -130.395 GPRESSURE: 36400 2.21801 134.897 217.649 71.1003 -194.189 120.215 105.669 33.392 -84.8218 PRESSAVG: 36400 -25.9236 -17.154 7.16895 -17.154 -38.5816 -0.410793 7.16902 -0.410919 92.4905 GPRESSAVG: 36400 -26.2993 -17.0305 8.7825 -16.4608 -37.8455 -0.426979 7.51498 0.429178 92.4383 TIMING: 36400 CPU: 105.856, 0.00295286/step Wall: 105.856, 0.00295286/step, 4.07134 hours remaining, 197.042969 MB of memory in use. ENERGY: 36400 790.5740 2076.3554 1981.7015 109.6837 -206256.4235 17823.4205 0.0000 0.0000 34160.1312 -149314.5571 298.3289 -183474.6883 -149221.3616 298.4613 -126.1416 -92.2644 557356.8324 9.3284 9.4312 PRESSURE: 36600 -153.195 -62.3009 111.915 -62.3012 -93.44 37.5966 111.915 37.5962 -355.01 GPRESSURE: 36600 -126.367 -2.12938 134.697 -52.3397 -44.1616 73.5899 131.141 67.0989 -331.337 PRESSAVG: 36600 -36.8883 1.16839 -1.09859 1.16839 33.5954 -10.9466 -1.09866 -10.9465 21.2178 GPRESSAVG: 36600 -36.3742 3.61179 -0.395755 -0.567944 32.5468 -9.94057 -0.489102 -11.6257 21.2526 TIMING: 36600 CPU: 106.436, 0.00290049/step Wall: 106.436, 0.00290049/step, 3.99897 hours remaining, 197.042969 MB of memory in use. ENERGY: 36600 746.7124 2072.9834 2013.8143 115.2390 -206304.7729 17730.4931 0.0000 0.0000 34423.7722 -149201.7586 300.6314 -183625.5308 -149102.2517 299.0195 -200.5483 -167.2884 557531.8438 5.9750 5.8084 PRESSURE: 36800 -232.434 -1.15566 -146.247 -1.15359 34.3004 -9.03608 -146.246 -9.03434 -110.664 GPRESSURE: 36800 -213.108 -80.3584 -123.003 95.8959 94.9409 34.9442 -97.5114 -49.3951 -79.5601 PRESSAVG: 36800 14.526 -8.12778 17.6746 -8.12787 15.3231 -31.805 17.6747 -31.8049 -9.82919 GPRESSAVG: 36800 14.7646 -9.19613 17.5276 -7.57456 15.9425 -31.3425 14.9567 -31.8632 -10.4348 TIMING: 36800 CPU: 107.017, 0.00290176/step Wall: 107.017, 0.00290176/step, 4.00056 hours remaining, 197.042969 MB of memory in use. ENERGY: 36800 745.9820 2062.4852 1990.2325 101.3122 -205912.8490 17701.3624 0.0000 0.0000 34240.2257 -149071.2490 299.0284 -183311.4747 -148974.4802 299.2656 -102.9326 -65.9092 558213.7927 6.6733 6.7574 PRESSURE: 37000 99.5123 123.283 110.321 123.283 154.312 -34.7049 110.32 -34.704 -138.282 GPRESSURE: 37000 167.522 93.7948 178.735 121.882 182.585 -113.725 58.7341 13.712 -127.981 PRESSAVG: 37000 -22.968 30.7324 5.53764 30.7323 42.3193 -16.2118 5.5377 -16.2117 44.9376 GPRESSAVG: 37000 -23.2357 29.0695 4.81831 30.9787 41.4516 -19.7296 6.99639 -14.8485 46.1985 TIMING: 37000 CPU: 107.593, 0.00288159/step Wall: 107.593, 0.00288159/step, 3.97259 hours remaining, 197.042969 MB of memory in use. ENERGY: 37000 731.3418 2121.5682 1963.6559 103.2490 -206571.8229 18057.4648 0.0000 0.0000 34496.4860 -149098.0573 301.2664 -183594.5433 -149004.4478 299.4168 38.5140 74.0421 558594.3775 21.4296 21.4715 PRESSURE: 37200 -27.9076 -67.0197 230.306 -67.02 203.149 58.4996 230.307 58.5015 147.567 GPRESSURE: 37200 35.5744 29.56 177.85 -131.341 206.526 121.739 167.838 25.8175 177.954 PRESSAVG: 37200 28.7081 6.23658 56.4072 6.23654 -68.7672 43.5643 56.4073 43.5645 4.47694 GPRESSAVG: 37200 29.8946 5.71034 54.385 8.12888 -69.4061 46.4809 58.7102 42.0661 3.71917 TIMING: 37200 CPU: 108.169, 0.00287944/step Wall: 108.169, 0.00287944/step, 3.96947 hours remaining, 197.042969 MB of memory in use. ENERGY: 37200 746.6071 2106.2635 1967.8172 116.8199 -206429.7041 18102.8903 0.0000 0.0000 34168.0385 -149221.2677 298.3980 -183389.3062 -149128.2204 299.2830 107.6026 140.0180 558456.8673 -11.8607 -11.9308 PRESSURE: 37400 -123.987 -85.9889 83.167 -85.9878 243.909 51.6938 83.1664 51.6931 93.2339 GPRESSURE: 37400 -91.0404 -122.669 29.5018 -66.6171 306.638 -29.2669 100.428 45.5816 94.841 PRESSAVG: 37400 -59.7872 -26.8518 40.3228 -26.8518 -4.74888 53.818 40.3229 53.818 31.7816 GPRESSAVG: 37400 -60.695 -24.7756 42.8081 -26.8063 -3.16405 53.778 36.6416 56.4067 31.0691 TIMING: 37400 CPU: 108.744, 0.00287623/step Wall: 108.744, 0.00287623/step, 3.96488 hours remaining, 197.042969 MB of memory in use. ENERGY: 37400 761.0916 2126.4313 1964.3584 108.7591 -206794.4477 18220.2267 0.0000 0.0000 34438.6100 -149174.9706 300.7609 -183613.5806 -149077.2661 298.9677 71.0519 103.4794 556928.7713 -10.9182 -10.9300 PRESSURE: 37600 161.718 -62.104 96.0944 -62.1045 152.139 -156.299 96.0943 -156.3 -49.3759 GPRESSURE: 37600 150.225 -83.5226 101.376 -112.501 191.876 -97.656 40.3235 -134.657 25.1631 PRESSAVG: 37600 -56.7885 -15.1894 40.5976 -15.1894 58.474 27.2969 40.5975 27.2969 -5.9033 GPRESSAVG: 37600 -56.9679 -14.1808 39.473 -18.8759 58.0298 26.6391 42.0666 24.5925 -5.17653 TIMING: 37600 CPU: 109.321, 0.00288644/step Wall: 109.321, 0.00288644/step, 3.9788 hours remaining, 197.042969 MB of memory in use. ENERGY: 37600 764.7239 2082.5762 1981.9846 121.2854 -206385.5265 17914.3051 0.0000 0.0000 34280.6032 -149240.0482 299.3810 -183520.6514 -149142.0017 298.9181 88.1604 122.4216 556966.5114 -1.4060 -1.3715 PRESSURE: 37800 27.3396 110.504 75.17 110.505 -8.47228 -119.074 75.1688 -119.074 -108.515 GPRESSURE: 37800 152.243 193.39 11.4345 56.1954 -16.9086 -63.1453 -7.17707 -141.864 -123.225 PRESSAVG: 37800 -0.753416 -21.0826 -12.1092 -21.0826 27.2296 -22.1968 -12.1092 -22.1969 -44.9108 GPRESSAVG: 37800 -0.834905 -21.1652 -10.4108 -19.3851 28.233 -22.5162 -11.5126 -21.6103 -45.6607 TIMING: 37800 CPU: 109.902, 0.002905/step Wall: 109.902, 0.002905/step, 4.00421 hours remaining, 197.042969 MB of memory in use. ENERGY: 37800 741.9515 2083.1392 1997.8360 111.1901 -206442.1593 17862.8345 0.0000 0.0000 34290.9073 -149354.3006 299.4710 -183645.2080 -149262.6038 298.6490 -29.8826 4.0364 557907.8857 -6.1449 -6.0875 PRESSURE: 38000 -61.5396 -23.0993 -124.609 -23.0985 -92.8084 132.058 -124.609 132.057 199.581 GPRESSURE: 38000 17.1272 -7.70841 -105.076 3.01381 -83.4814 59.8699 -175.136 143.781 203.607 PRESSAVG: 38000 -33.7422 51.4193 -2.78604 51.4194 -43.7873 -30.6185 -2.78603 -30.6184 71.124 GPRESSAVG: 38000 -33.0737 50.3997 -4.85239 51.6137 -43.7141 -31.088 -4.33816 -29.4748 70.3085 TIMING: 38000 CPU: 110.482, 0.00289969/step Wall: 110.482, 0.00289969/step, 3.99674 hours remaining, 197.042969 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: 38000 723.1231 2087.6063 2004.6742 111.3747 -206642.5146 17970.3259 0.0000 0.0000 34258.3281 -149487.0824 299.1865 -183745.4104 -149394.4541 298.7192 15.0776 45.7508 556623.7291 -2.1352 -2.1598 PRESSURE: 38200 -10.5383 -68.0349 21.3507 -68.0332 192.911 20.4456 21.3507 20.446 -233.626 GPRESSURE: 38200 23.7927 -46.1006 68.2234 -91.2174 231.237 83.3366 5.26118 -33.3597 -206.312 PRESSAVG: 38200 6.28167 9.16551 -1.99327 9.16561 6.57211 9.37305 -1.99326 9.37303 1.78428 GPRESSAVG: 38200 7.10311 7.62513 -0.282104 10.1294 4.435 9.95511 -0.97509 8.67168 2.93739 TIMING: 38200 CPU: 111.06, 0.00288705/step Wall: 111.06, 0.00288705/step, 3.97915 hours remaining, 197.042969 MB of memory in use. ENERGY: 38200 717.4862 2072.9552 1981.0400 112.2422 -206697.5991 18051.7533 0.0000 0.0000 34309.2708 -149452.8513 299.6314 -183762.1221 -149355.1956 298.4339 -17.0843 16.2392 557360.1306 4.8794 4.8252 PRESSURE: 38400 -138.082 -47.2557 62.3399 -47.2554 -433.332 83.2493 62.3396 83.2493 -225.964 GPRESSURE: 38400 -114.091 -44.9153 49.4024 -14.1769 -370.936 82.8704 -28.7971 10.0862 -227.645 PRESSAVG: 38400 -54.2015 -0.24862 40.6548 -0.248666 52.928 -5.1102 40.6548 -5.11014 43.6035 GPRESSAVG: 38400 -55.7442 1.67902 42.7228 -1.24451 54.4205 -3.90908 38.0027 -5.10505 44.016 TIMING: 38400 CPU: 111.634, 0.00287389/step Wall: 111.634, 0.00287389/step, 3.96085 hours remaining, 197.042969 MB of memory in use. ENERGY: 38400 768.5158 2042.1423 1956.5008 123.4499 -206030.2193 17452.4400 0.0000 0.0000 34221.9035 -149465.2670 298.8684 -183687.1705 -149358.7193 298.7248 -265.7925 -237.5572 557281.7535 14.1100 14.2308 PRESSURE: 38600 211.433 -65.1512 151.916 -65.151 -55.6174 89.3517 151.915 89.3523 -166.29 GPRESSURE: 38600 214.105 -88.1304 107.687 -11.262 -64.8656 82.7227 186.973 85.2093 -64.063 PRESSAVG: 38600 39.3318 7.61724 54.3088 7.61726 36.8206 48.9549 54.3088 48.9548 -74.2218 GPRESSAVG: 38600 37.9537 8.09406 50.9027 7.96101 37.6473 48.9509 56.5419 49.9016 -74.3633 TIMING: 38600 CPU: 112.207, 0.00286312/step Wall: 112.207, 0.00286312/step, 3.94586 hours remaining, 197.042969 MB of memory in use. ENERGY: 38600 751.7280 2107.0031 1988.6779 96.0884 -206488.8484 18014.4947 0.0000 0.0000 34155.9049 -149374.9515 298.2920 -183530.8564 -149278.7456 298.6703 -3.4916 28.3921 557622.7361 0.6435 0.4126 PRESSURE: 38800 -20.7234 -186.566 -109.745 -186.566 -272.687 34.3446 -109.746 34.3442 -195.908 GPRESSURE: 38800 -36.6231 -114.214 -73.4155 -253.055 -237.826 -15.2249 -129.004 116.326 -124.553 PRESSAVG: 38800 21.462 -12.7923 12.9735 -12.7923 50.7342 -13.0902 12.9735 -13.0902 -49.5026 GPRESSAVG: 38800 22.7078 -12.5184 14.3711 -13.2327 49.3506 -13.3666 13.0413 -13.2467 -49.4081 TIMING: 38800 CPU: 112.782, 0.00287569/step Wall: 112.782, 0.00287569/step, 3.96302 hours remaining, 197.042969 MB of memory in use. ENERGY: 38800 759.8561 2067.3848 1975.6390 115.3538 -205899.4224 17532.7847 0.0000 0.0000 34264.5046 -149183.8994 299.2404 -183448.4040 -149086.7023 298.7822 -163.1060 -133.0007 557992.2452 7.5646 7.5501 PRESSURE: 39000 -56.2024 92.3867 50.978 92.3867 -231.008 29.769 50.9794 29.7684 -347.571 GPRESSURE: 39000 0.0856634 39.2277 65.4017 63.5915 -174.325 -16.5154 33.6642 98.4343 -367.15 PRESSAVG: 39000 73.5881 -32.9966 14.7559 -32.9967 15.8392 -51.1923 14.7559 -51.1923 -104.278 GPRESSAVG: 39000 73.4457 -34.7819 16.2353 -32.313 16.2495 -51.0494 14.1478 -53.2602 -104.779 TIMING: 39000 CPU: 113.363, 0.00290531/step Wall: 113.363, 0.00290531/step, 4.00369 hours remaining, 197.042969 MB of memory in use. ENERGY: 39000 756.7870 2035.8919 2010.6859 119.4386 -205939.9042 17542.9172 0.0000 0.0000 34158.8370 -149315.3466 298.3176 -183474.1837 -149217.0960 298.5255 -211.5937 -180.4633 558584.8272 -4.9503 -5.0281 PRESSURE: 39200 -155.548 16.5349 -31.3642 16.5341 -171.67 -54.9534 -31.3649 -54.9539 -92.7881 GPRESSURE: 39200 -147.608 -44.8036 -121.919 21.7959 -152.755 -1.31067 7.99615 -74.5169 -30.1963 PRESSAVG: 39200 21.1422 -8.6621 -1.53914 -8.66224 -6.2435 12.3385 -1.53911 12.3386 -44.07 GPRESSAVG: 39200 21.3233 -8.28756 -2.69834 -9.21685 -6.70463 10.2733 -0.0422908 13.1263 -44.0733 TIMING: 39200 CPU: 113.941, 0.00288634/step Wall: 113.941, 0.00288634/step, 3.97737 hours remaining, 197.042969 MB of memory in use. ENERGY: 39200 729.3871 2040.2460 2009.7467 115.8329 -205998.6086 17638.7777 0.0000 0.0000 34133.0082 -149331.6099 298.0921 -183464.6181 -149234.0279 298.4249 -140.0020 -110.1863 559283.8105 -9.7237 -9.8182 PRESSURE: 39400 63.0547 -71.7437 25.9443 -71.7424 5.84676 -64.936 25.9442 -64.9361 29.3208 GPRESSURE: 39400 135.818 -36.1799 23.4432 -139.636 33.3918 -148.617 -10.467 -47.777 14.8319 PRESSAVG: 39400 58.9188 14.4315 -11.7197 14.4316 24.3139 50.9779 -11.7197 50.9779 -61.2264 GPRESSAVG: 39400 59.116 13.7474 -12.2263 13.9491 23.6607 52.3687 -13.3399 51.7235 -61.0191 TIMING: 39400 CPU: 114.517, 0.00288172/step Wall: 114.517, 0.00288172/step, 3.97085 hours remaining, 197.042969 MB of memory in use. ENERGY: 39400 726.8205 2104.7645 2000.2598 117.8812 -206407.6930 17849.0373 0.0000 0.0000 34268.0810 -149340.8486 299.2717 -183608.9296 -149236.3786 298.2406 32.7407 61.3473 558222.6583 7.3354 7.2525 PRESSURE: 39600 179.161 85.539 -24.6154 85.5407 179.133 -39.3824 -24.6168 -39.3819 -73.3626 GPRESSURE: 39600 119.098 172.892 65.9825 70.4129 271.862 -59.3335 -63.5931 34.2425 -1.20541 PRESSAVG: 39600 16.6703 -6.21935 39.5978 -6.21927 -36.2544 -21.9421 39.5978 -21.9421 52.8937 GPRESSAVG: 39600 16.6787 -5.88281 42.2248 -5.52774 -35.7221 -23.0824 38.4792 -23.3302 52.1867 TIMING: 39600 CPU: 115.093, 0.00288148/step Wall: 115.093, 0.00288148/step, 3.97037 hours remaining, 197.042969 MB of memory in use. ENERGY: 39600 743.0617 2110.5344 2010.9357 115.1772 -206663.8089 18042.6957 0.0000 0.0000 34450.8044 -149190.5999 300.8674 -183641.4043 -149097.3204 298.4428 94.9772 129.9182 557891.6744 11.1032 11.0477 PRESSURE: 39800 260.903 17.7124 29.346 17.7142 -70.8568 -32.7816 29.3452 -32.7819 270.633 GPRESSURE: 39800 296.429 13.5124 71.5421 -12.2538 -31.818 -67.0247 65.3562 -46.5568 296.1 PRESSAVG: 39800 26.6321 37.0876 1.56582 37.0876 -38.0006 -58.256 1.56586 -58.256 -38.8121 GPRESSAVG: 39800 26.2191 37.729 -2.7206 35.239 -38.0895 -58.4106 4.80804 -56.3075 -37.8123 TIMING: 39800 CPU: 115.674, 0.00290634/step Wall: 115.674, 0.00290634/step, 4.00445 hours remaining, 197.042969 MB of memory in use. ENERGY: 39800 727.9730 2106.5845 1984.2069 104.8355 -206033.3456 17933.5028 0.0000 0.0000 34098.6965 -149077.5464 297.7924 -183176.2430 -148985.3431 298.8907 153.5596 186.9037 557080.1547 -16.7269 -16.5609 PRESSURE: 40000 145.805 70.7382 62.9168 70.7382 -42.8463 140.055 62.9161 140.056 -167.714 GPRESSURE: 40000 159.363 86.5913 6.64567 123.471 -17.5328 134.75 122.865 181.53 -116.158 PRESSAVG: 40000 48.2754 27.3041 38.9009 27.304 6.12933 8.99317 38.9008 8.99318 -33.1654 GPRESSAVG: 40000 49.64 27.6807 40.8055 28.0196 5.54641 8.16892 37.9906 9.10347 -33.8268 TIMING: 40000 CPU: 116.256, 0.0029074/step Wall: 116.256, 0.0029074/step, 4.00575 hours remaining, 197.042969 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: 40000 759.3798 2095.1068 1954.1466 94.7788 -206108.1976 17813.6995 0.0000 0.0000 34434.2502 -148956.8360 300.7229 -183391.0862 -148859.7879 298.7896 -21.5850 8.5572 556996.3761 7.0798 7.1199 PRESSURE: 40200 113.587 -93.7925 -164.372 -93.7925 -101.408 52.2543 -164.371 52.2558 41.7847 GPRESSURE: 40200 100.938 -103.082 -115.363 -70.7654 -30.0414 61.0042 -95.3463 61.6842 78.6808 PRESSAVG: 40200 -25.1485 -24.6071 1.51667 -24.6071 17.7264 21.5736 1.51667 21.5737 10.9749 GPRESSAVG: 40200 -27.6078 -26.4006 1.58982 -22.8402 18.8614 23.1462 1.76636 21.8551 11.665 TIMING: 40200 CPU: 116.838, 0.00290903/step Wall: 116.838, 0.00290903/step, 4.00784 hours remaining, 197.042969 MB of memory in use. ENERGY: 40200 733.2890 2041.5881 1987.0749 108.6231 -205895.0348 17847.2110 0.0000 0.0000 34100.5314 -149076.7172 297.8084 -183177.2486 -148975.8295 299.0433 17.9879 49.8593 557809.6779 1.1843 0.9728 LDB: ============= START OF LOAD BALANCING ============== 120.306 LDB: ============== END OF LOAD BALANCING =============== 120.306 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 120.308 LDB: ============= START OF LOAD BALANCING ============== 120.602 LDB: Largest compute 4827 load 0.027785 is 23.7% of average load 0.117227 LDB: Average compute 0.001720 is 1.5% of average load 0.117227 LDB: TIME 120.605 LOAD: AVG 0.117227 MAX 0.177933 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.102 MB LDB: TIME 120.605 LOAD: AVG 0.117227 MAX 0.177933 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.305 MB LDB: TIME 120.605 LOAD: AVG 0.117227 MAX 0.177933 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.305 MB LDB: ============== END OF LOAD BALANCING =============== 120.607 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 120.611 PRESSURE: 40400 -176.524 -125.726 101.458 -125.724 9.58949 -29.288 101.457 -29.2887 62.2008 GPRESSURE: 40400 -117.206 -111.998 119.76 -99.0269 52.2832 16.3179 72.0375 -23.4745 64.3433 PRESSAVG: 40400 -15.9175 6.83853 -3.94688 6.83861 -43.2801 30.1425 -3.94696 30.1424 -1.40525 GPRESSAVG: 40400 -15.2103 7.78648 -3.53182 5.30512 -43.9028 30.1304 -5.69495 29.4096 -1.50632 TIMING: 40400 CPU: 117.435, 0.00298845/step Wall: 117.435, 0.00298845/step, 4.11709 hours remaining, 197.570312 MB of memory in use. ENERGY: 40400 741.0248 2078.6203 1983.4510 112.0362 -205755.2171 17733.4686 0.0000 0.0000 34125.9950 -148980.6213 298.0308 -183106.6163 -148881.5173 298.8727 -34.9114 -0.1931 559164.3056 -20.2009 -20.2065 PRESSURE: 40600 147.632 -56.8424 32.0285 -56.8427 43.1232 -9.12626 32.0306 -9.12764 -128.413 GPRESSURE: 40600 159.678 -20.0019 -61.4759 -36.5894 40.8561 27.1146 151.964 -1.75829 -35.7099 PRESSAVG: 40600 5.98251 -20.4373 -1.8608 -20.4372 22.9206 -1.69173 -1.86081 -1.69168 -18.2424 GPRESSAVG: 40600 7.36132 -21.8966 -4.12699 -19.8084 21.9619 -2.01097 -0.977174 -3.74578 -18.4209 TIMING: 40600 CPU: 118.019, 0.0029186/step Wall: 118.019, 0.0029186/step, 4.02069 hours remaining, 197.773438 MB of memory in use. ENERGY: 40600 744.8184 2068.1954 1971.4474 113.6299 -206194.0964 17872.1459 0.0000 0.0000 34242.4526 -149181.4068 299.0479 -183423.8594 -149082.1770 299.1529 20.7807 54.9414 557786.8672 3.5536 3.6341 PRESSURE: 40800 131.203 -208.864 44.4327 -208.864 151.34 3.53471 44.4315 3.5334 -31.1491 GPRESSURE: 40800 143.958 -243.219 22.4959 -237.877 176.219 -34.405 66.0135 -6.5211 23.3657 PRESSAVG: 40800 6.39933 34.6036 30.7464 34.6037 -14.2679 16.911 30.7464 16.9111 24.1828 GPRESSAVG: 40800 6.64926 36.2904 30.0535 34.6351 -14.6331 17.0686 31.9661 18.3473 24.9189 TIMING: 40800 CPU: 118.599, 0.00290051/step Wall: 118.599, 0.00290051/step, 3.99561 hours remaining, 197.773438 MB of memory in use. ENERGY: 40800 755.1149 2038.3220 1994.7871 109.9810 -206428.9070 18067.3282 0.0000 0.0000 34310.3012 -149153.0725 299.6404 -183463.3737 -149064.9402 299.4663 83.7977 114.5142 558201.6516 5.4381 5.6450 PRESSURE: 41000 131.723 -153.569 -63.8406 -153.569 162.925 31.7018 -63.8402 31.7006 290.809 GPRESSURE: 41000 148.369 -151.3 -25.5623 -189.829 185.811 61.7118 -77.0089 37.2035 336.84 PRESSAVG: 41000 -36.6988 -23.7313 -9.78959 -23.7313 -31.1525 -41.2914 -9.78963 -41.2915 31.6786 GPRESSAVG: 41000 -36.7657 -23.7278 -8.95665 -26.0493 -29.9157 -40.7436 -11.5092 -42.3727 30.5051 TIMING: 41000 CPU: 119.177, 0.00289078/step Wall: 119.177, 0.00289078/step, 3.98205 hours remaining, 197.773438 MB of memory in use. ENERGY: 41000 744.4679 2138.2971 1976.5160 108.3789 -206529.2491 18083.0062 0.0000 0.0000 34305.8605 -149172.7225 299.6016 -183478.5830 -149078.5897 299.4145 195.1524 223.6731 557765.6262 -12.0576 -12.0587 PRESSURE: 41200 -126.667 -67.0232 0.286762 -67.0228 213.039 -91.4585 0.287328 -91.4583 132.452 GPRESSURE: 41200 -96.4353 -38.2837 50.3762 12.5512 226.624 -28.558 -41.7928 -33.8169 192.576 PRESSAVG: 41200 -13.6148 -36.8035 -2.00805 -36.8035 -15.0913 -7.86307 -2.00814 -7.86297 4.53704 GPRESSAVG: 41200 -14.2175 -37.0446 -1.085 -34.3403 -14.8351 -7.29764 -1.41504 -4.55688 5.75577 TIMING: 41200 CPU: 119.755, 0.00288936/step Wall: 119.755, 0.00288936/step, 3.97993 hours remaining, 197.773438 MB of memory in use. ENERGY: 41200 758.4893 2092.4197 1970.4790 111.1164 -206796.5747 18205.1524 0.0000 0.0000 34354.4411 -149304.4768 300.0259 -183658.9179 -149203.1243 298.3533 72.9413 107.5884 558906.6886 -8.0564 -7.7656 PRESSURE: 41400 -10.7318 -34.7527 -204.977 -34.7509 70.3444 217.674 -204.976 217.674 -201.941 GPRESSURE: 41400 16.6786 58.9452 -136.302 -78.9558 66.0052 213.7 -212.213 258.475 -132.07 PRESSAVG: 41400 22.6329 -11.5733 2.60667 -11.5733 8.65414 -4.82937 2.60676 -4.82931 -34.3467 GPRESSAVG: 41400 22.8072 -11.0743 1.33932 -12.9312 8.44798 -5.03475 3.91554 -6.46674 -33.7406 TIMING: 41400 CPU: 120.337, 0.00290858/step Wall: 120.337, 0.00290858/step, 4.00624 hours remaining, 197.773438 MB of memory in use. ENERGY: 41400 719.6757 2135.4803 1958.8252 116.8819 -205946.4432 17583.2797 0.0000 0.0000 34210.8732 -149221.4273 298.7721 -183432.3005 -149123.6303 298.3178 -47.4428 -16.4619 558306.2820 -1.0199 -0.8285 PRESSURE: 41600 -224.812 95.995 68.0998 95.9942 -246.275 -147.929 68.0999 -147.93 -48.4142 GPRESSURE: 41600 -205.669 66.6398 12.5887 97.7825 -222.821 -121.634 31.738 -165.979 10.8394 PRESSAVG: 41600 12.7607 0.0724166 -27.5789 0.0724094 -15.7149 -37.7596 -27.5789 -37.7595 18.4639 GPRESSAVG: 41600 13.0559 -0.300258 -26.9159 -0.991772 -13.5852 -38.1792 -27.6217 -35.2937 16.4281 TIMING: 41600 CPU: 120.915, 0.00288803/step Wall: 120.915, 0.00288803/step, 3.97779 hours remaining, 197.773438 MB of memory in use. ENERGY: 41600 748.2006 2111.7300 1973.3765 108.7068 -206010.2428 17585.9457 0.0000 0.0000 34160.1160 -149322.1672 298.3288 -183482.2832 -149219.5422 298.3641 -173.1672 -139.2166 558222.5162 5.1699 5.2996 PRESSURE: 41800 -105.96 12.5338 -60.389 12.5342 -214.137 -9.24572 -60.3877 -9.24789 -288.852 GPRESSURE: 41800 -89.1383 25.9748 -93.2967 58.5082 -190.769 -5.46803 -153.085 37.9441 -231.019 PRESSAVG: 41800 6.17341 31.1223 21.0214 31.1223 67.9806 8.93155 21.0213 8.93153 -53.3974 GPRESSAVG: 41800 5.8407 29.6351 20.9111 34.4022 66.7997 9.31842 19.9624 7.44017 -51.8609 TIMING: 41800 CPU: 121.49, 0.00287864/step Wall: 121.49, 0.00287864/step, 3.96468 hours remaining, 197.773438 MB of memory in use. ENERGY: 41800 784.5062 2109.1809 1975.6976 116.8687 -205655.5428 17349.0250 0.0000 0.0000 34145.2048 -149175.0596 298.1986 -183320.2644 -149079.3973 298.7716 -202.9830 -170.3089 556363.6051 6.9189 6.9265 PRESSURE: 42000 -21.0728 123.973 -152.131 123.974 58.2196 238.74 -152.13 238.739 -265.46 GPRESSURE: 42000 5.28864 174.083 -122.291 81.206 52.1676 202.607 -178.954 192.982 -183.336 PRESSAVG: 42000 -27.0937 16.1307 -9.91131 16.1307 94.6748 -29.4511 -9.9113 -29.4511 -78.4865 GPRESSAVG: 42000 -27.2363 16.8863 -10.0302 15.2393 95.329 -29.4134 -9.66613 -30.7006 -79.0183 TIMING: 42000 CPU: 122.067, 0.00288291/step Wall: 122.067, 0.00288291/step, 3.97041 hours remaining, 197.773438 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: 42000 771.7260 2114.7560 1965.6685 114.1943 -205937.9111 17605.8599 0.0000 0.0000 34103.4968 -149262.2096 297.8343 -183365.7065 -149166.0130 298.9879 -76.1044 -41.9599 555723.9487 -3.6351 -3.6418 PRESSURE: 42200 -444.528 -77.2093 -219.624 -77.2077 -338.634 -75.0637 -219.624 -75.0631 -259.754 GPRESSURE: 42200 -384.944 -108.595 -192.495 -32.1276 -324.755 -163.622 -191.184 -108.289 -232.881 PRESSAVG: 42200 -20.0242 47.0307 -23.1802 47.0306 72.686 -21.3224 -23.1802 -21.3224 -42.5013 GPRESSAVG: 42200 -19.8644 46.5273 -21.7036 46.8422 70.7732 -22.5838 -24.1419 -18.5237 -41.1497 TIMING: 42200 CPU: 122.647, 0.00289848/step Wall: 122.647, 0.00289848/step, 3.9917 hours remaining, 197.773438 MB of memory in use. ENERGY: 42200 756.8466 2168.5292 1989.3163 105.3764 -205781.8962 17266.3247 0.0000 0.0000 34351.1259 -149144.3772 299.9969 -183495.5030 -149047.5143 298.9756 -347.6384 -314.1931 558396.6590 3.3868 3.2530 PRESSURE: 42400 -66.7242 42.2834 -35.6497 42.2824 -104.107 -80.3665 -35.6499 -80.367 -261.741 GPRESSURE: 42400 -36.271 76.0237 -64.3666 76.3913 8.06001 -99.9964 -120.27 4.2361 -300.032 PRESSAVG: 42400 54.8649 82.3484 -29.3015 82.3484 6.5279 29.248 -29.3015 29.2481 -42.063 GPRESSAVG: 42400 53.9877 82.1499 -29.3872 82.3052 7.80472 29.9876 -29.1364 28.1524 -42.4803 TIMING: 42400 CPU: 123.224, 0.0028887/step Wall: 123.224, 0.0028887/step, 3.97806 hours remaining, 197.773438 MB of memory in use. ENERGY: 42400 734.3528 2162.9852 1986.8365 102.0213 -205661.5000 17702.2569 0.0000 0.0000 34154.3871 -148818.6601 298.2788 -182973.0472 -148723.8623 299.6066 -144.1910 -109.4143 559427.4684 6.4433 6.4374 PRESSURE: 42600 -47.3495 37.2835 129.613 37.2836 -227.81 -24.3393 129.614 -24.3398 -338.548 GPRESSURE: 42600 -53.7425 84.3691 155.92 51.8879 -186.632 -52.9168 129.012 43.0639 -272.213 PRESSAVG: 42600 -26.7373 8.88173 -26.6611 8.88173 -5.62373 1.25787 -26.6611 1.25779 -40.9575 GPRESSAVG: 42600 -26.1762 8.30092 -27.1743 10.6151 -4.68184 2.11507 -27.4046 0.952622 -41.9988 TIMING: 42600 CPU: 123.806, 0.00290616/step Wall: 123.806, 0.00290616/step, 4.00194 hours remaining, 197.773438 MB of memory in use. ENERGY: 42600 746.2031 2124.5860 1975.3693 131.1268 -206106.4008 17821.5448 0.0000 0.0000 34337.6513 -148969.9194 299.8792 -183307.5707 -148874.1666 299.7759 -204.5693 -170.8626 559344.4897 -24.4395 -24.2856 PRESSURE: 42800 -68.6559 4.85721 -61.2786 4.8575 210.747 44.9436 -61.2779 44.9435 -187.22 GPRESSURE: 42800 -42.6601 63.3533 -106.566 -48.5774 251.942 25.5941 1.44003 72.3111 -149.991 PRESSAVG: 42800 11.7789 9.16687 -64.3878 9.16686 41.0529 -22.8049 -64.3877 -22.8049 -63.6807 GPRESSAVG: 42800 12.5757 10.101 -63.6276 6.04083 40.8134 -22.1654 -63.901 -23.3034 -64.2109 TIMING: 42800 CPU: 124.389, 0.00291478/step Wall: 124.389, 0.00291478/step, 4.01365 hours remaining, 197.773438 MB of memory in use. ENERGY: 42800 774.0673 2128.1237 1939.0516 109.7742 -206243.1785 17866.9348 0.0000 0.0000 34280.8619 -149144.3650 299.3833 -183425.2269 -149052.4128 299.0634 -15.0431 19.7638 558799.1864 -3.6163 -3.6073 PRESSURE: 43000 34.5916 71.7574 -24.8903 71.7579 99.6796 6.37752 -24.8885 6.3785 177.26 GPRESSURE: 43000 83.4941 74.4354 -99.7074 59.8375 97.6857 27.616 -10.3521 38.5911 224.397 PRESSAVG: 43000 0.909842 -57.4508 -69.1282 -57.4508 25.2427 2.78609 -69.1282 2.78612 -32.364 GPRESSAVG: 43000 1.43607 -58.3759 -68.7358 -54.8891 24.9117 2.3184 -69.1182 3.73422 -32.382 TIMING: 43000 CPU: 124.966, 0.00288664/step Wall: 124.966, 0.00288664/step, 3.97474 hours remaining, 197.773438 MB of memory in use. ENERGY: 43000 745.8662 2098.9646 1983.6648 116.6505 -206329.9657 18049.9955 0.0000 0.0000 34271.4823 -149063.3418 299.3014 -183334.8241 -148971.5742 299.3559 103.8437 135.1922 557775.0946 -2.0705 -2.0114 PRESSURE: 43200 138.916 -194.446 -23.7635 -194.444 -6.10535 236.46 -23.7639 236.459 -396.404 GPRESSURE: 43200 146.187 -242.348 -39.2012 -172.393 25.7833 225.275 -117.665 218.881 -336.287 PRESSAVG: 43200 7.00869 -1.82916 -31.0645 -1.82927 4.85726 15.5296 -31.0645 15.5298 -3.59808 GPRESSAVG: 43200 5.93341 -3.10517 -33.5477 -1.06547 5.72136 14.7161 -31.2815 13.9823 -3.45717 TIMING: 43200 CPU: 125.549, 0.00291718/step Wall: 125.549, 0.00291718/step, 4.01663 hours remaining, 197.773438 MB of memory in use. ENERGY: 43200 772.8713 2067.1700 1991.6915 112.4094 -206300.4105 17862.7070 0.0000 0.0000 34346.5974 -149146.9638 299.9574 -183493.5612 -149052.1141 299.7613 -87.8645 -54.7721 558783.8736 2.7560 2.7325 PRESSURE: 43400 125.082 33.8065 20.4323 33.8055 -119.05 94.9768 20.433 94.9765 76.6081 GPRESSURE: 43400 155.847 90.1787 -33.5617 -19.7506 -66.7033 87.3267 56.8586 80.8052 89.3651 PRESSAVG: 43400 -64.2927 -33.7761 0.312844 -33.776 -11.6815 60.8625 0.312976 60.8624 46.7276 GPRESSAVG: 43400 -63.8756 -31.9306 2.64668 -35.9967 -13.39 61.2453 1.66946 62.4641 48.3113 TIMING: 43400 CPU: 126.131, 0.00290741/step Wall: 126.131, 0.00290741/step, 4.00302 hours remaining, 197.773438 MB of memory in use. ENERGY: 43400 735.6193 2064.6024 1978.1118 111.8563 -206215.8028 17932.7544 0.0000 0.0000 34223.8535 -149169.0051 298.8854 -183392.8586 -149071.4561 299.0779 27.5466 59.5028 557528.8892 -9.7489 -9.6514 PRESSURE: 43600 3.14465 89.9333 -105.894 89.9342 -141.58 -18.4882 -105.895 -18.4867 -108.37 GPRESSURE: 43600 37.3188 -26.7922 -136.124 89.2302 -93.7119 -57.107 -40.3945 -18.5409 -84.3181 PRESSAVG: 43600 75.5043 -12.0369 -2.21485 -12.0371 0.676194 12.1244 -2.21486 12.1244 -44.1322 GPRESSAVG: 43600 76.0819 -11.0618 -5.03175 -9.71339 1.22325 13.5301 -1.14614 12.346 -45.3041 TIMING: 43600 CPU: 126.719, 0.00293977/step Wall: 126.719, 0.00293977/step, 4.04741 hours remaining, 197.773438 MB of memory in use. ENERGY: 43600 766.6036 2090.8024 2003.4332 119.1557 -206059.0524 17665.6266 0.0000 0.0000 34443.9794 -148969.4515 300.8078 -183413.4309 -148865.3704 299.6200 -82.2685 -46.9037 556935.4414 10.6828 10.6670 PRESSURE: 43800 6.66236 -125.773 -131.13 -125.773 -60.8972 62.5751 -131.129 62.5751 -33.508 GPRESSURE: 43800 25.5828 -61.277 -1.39405 -162.437 -6.85099 62.4762 -174.475 115.503 -24.0317 PRESSAVG: 43800 67.6582 -10.4369 -6.44179 -10.4368 -67.7144 -4.05849 -6.44163 -4.05847 -3.1405 GPRESSAVG: 43800 67.3939 -11.7196 -3.32312 -12.9182 -67.115 -4.01123 -7.28789 -4.64208 -2.87659 TIMING: 43800 CPU: 127.303, 0.00291899/step Wall: 127.303, 0.00291899/step, 4.01864 hours remaining, 197.773438 MB of memory in use. ENERGY: 43800 743.4063 2145.1563 1991.4774 118.6698 -206145.1685 17666.4810 0.0000 0.0000 34447.1838 -149032.7938 300.8358 -183479.9776 -148941.6230 299.9081 -29.2476 -1.7666 556570.7030 -1.0656 -0.8659 PRESSURE: 44000 -206.653 24.9757 156.75 24.9748 90.3561 48.6978 156.751 48.6986 -207.335 GPRESSURE: 44000 -78.996 -34.7034 177.56 10.5479 70.2737 76.1788 111.436 13.0731 -219.21 PRESSAVG: 44000 -38.2021 44.3726 -1.97367 44.3725 87.3447 20.139 -1.97364 20.139 -23.478 GPRESSAVG: 44000 -38.4338 44.7641 -2.25866 44.3909 88.5072 20.06 -2.0496 22.1784 -24.5458 TIMING: 44000 CPU: 127.884, 0.00290782/step Wall: 127.884, 0.00290782/step, 4.0031 hours remaining, 197.773438 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: 44000 745.1017 2069.4685 1986.0947 108.8219 -205594.6618 17556.4447 0.0000 0.0000 34074.4790 -149054.2514 297.5809 -183128.7304 -148951.3150 299.8284 -107.8776 -75.9774 557730.6916 8.5549 8.5092 PRESSURE: 44200 158.271 148.714 125.021 148.713 147.894 -60.9897 125.021 -60.9914 321.498 GPRESSURE: 44200 213.339 130.183 127.222 164.691 239.014 -62.869 171.834 -52.5789 264.608 PRESSAVG: 44200 -68.6415 34.7133 18.7976 34.7133 5.16761 10.1516 18.7976 10.1517 40.4356 GPRESSAVG: 44200 -68.2852 35.5286 17.5169 35.1973 3.57822 10.6447 21.8086 8.98291 41.9701 TIMING: 44200 CPU: 128.464, 0.00289749/step Wall: 128.464, 0.00289749/step, 3.98872 hours remaining, 197.773438 MB of memory in use. ENERGY: 44200 732.5780 2043.5399 1981.9191 130.7535 -206329.4166 18079.6075 0.0000 0.0000 34302.5466 -149058.4719 299.5727 -183361.0185 -148961.8393 299.6963 209.2211 238.9871 557235.4071 -7.6794 -7.5789 LDB: ============= START OF LOAD BALANCING ============== 131.931 LDB: ============== END OF LOAD BALANCING =============== 131.932 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 131.933 LDB: ============= START OF LOAD BALANCING ============== 132.227 LDB: Largest compute 4827 load 0.028009 is 23.9% of average load 0.117250 LDB: Average compute 0.001727 is 1.5% of average load 0.117250 LDB: TIME 132.229 LOAD: AVG 0.11725 MAX 0.177018 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.543 MB LDB: TIME 132.23 LOAD: AVG 0.11725 MAX 0.177018 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.746 MB LDB: TIME 132.23 LOAD: AVG 0.11725 MAX 0.177018 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 132.232 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 132.236 PRESSURE: 44400 -343.125 -66.9905 33.3186 -66.9901 -145.274 40.2854 33.3178 40.285 -214.884 GPRESSURE: 44400 -311.256 5.00113 4.55406 -11.2124 -87.6758 99.261 116.156 -48.3808 -202.974 PRESSAVG: 44400 13.1371 43.6234 70.2871 43.6234 3.00872 -15.2928 70.2871 -15.2928 -13.9917 GPRESSAVG: 44400 12.9235 41.4782 70.6611 44.5972 4.87483 -15.5075 68.4251 -16.6483 -15.7508 TIMING: 44400 CPU: 129.06, 0.0029839/step Wall: 129.06, 0.0029839/step, 4.1075 hours remaining, 198.230469 MB of memory in use. ENERGY: 44400 776.5635 2126.6661 1953.4770 111.5494 -205847.3124 17635.6478 0.0000 0.0000 34273.2513 -148970.1573 299.3168 -183243.4086 -148879.2478 299.5470 -234.4277 -200.6351 558617.3594 0.7180 0.6825 PRESSURE: 44600 49.5345 -22.2067 32.477 -22.2063 125.736 64.6804 32.4757 64.6815 180.721 GPRESSURE: 44600 96.7296 -0.886067 10.782 -59.4612 143.943 51.7312 36.9259 79.2621 220.421 PRESSAVG: 44600 -6.35128 -21.2501 -16.0031 -21.2502 6.36137 6.02512 -16.003 6.02521 -9.8025 GPRESSAVG: 44600 -5.24408 -17.5954 -15.7017 -23.3465 5.00425 5.36674 -14.8113 8.11159 -9.71732 TIMING: 44600 CPU: 129.645, 0.00292075/step Wall: 129.645, 0.00292075/step, 4.02041 hours remaining, 198.375000 MB of memory in use. ENERGY: 44600 719.7356 2065.0448 1991.6297 111.4524 -206436.0701 18051.6941 0.0000 0.0000 34352.9574 -149143.5561 300.0129 -183496.5136 -149047.3620 299.8567 118.6639 153.6978 557588.4585 -3.2641 -3.3190 PRESSURE: 44800 69.3136 77.8448 -83.0475 77.8452 -22.135 -10.492 -83.0476 -10.4913 -42.4786 GPRESSURE: 44800 67.6157 13.6178 -83.0828 85.4891 50.8482 -20.217 -74.0975 50.5952 -27.3173 PRESSAVG: 44800 10.8349 54.2372 24.8035 54.2372 17.3495 -4.1391 24.8035 -4.13909 -34.4316 GPRESSAVG: 44800 10.5506 53.5115 24.7743 55.1885 18.1616 -3.82157 24.3584 -5.268 -34.069 TIMING: 44800 CPU: 130.227, 0.00291364/step Wall: 130.227, 0.00291364/step, 4.01047 hours remaining, 198.375000 MB of memory in use. ENERGY: 44800 754.3515 2051.2868 1980.7444 111.4847 -206426.6076 17925.4854 0.0000 0.0000 34397.3807 -149205.8741 300.4009 -183603.2548 -149115.2053 299.2396 1.5667 30.3822 557285.4953 -2.0824 -1.7856 PRESSURE: 45000 -99.6283 -64.7476 -92.1254 -64.7482 -258.182 -52.8379 -92.1249 -52.8402 -37.904 GPRESSURE: 45000 -73.1195 -46.304 -121.237 -150.461 -200.131 -53.2392 -78.4105 -50.1473 -20.6773 PRESSAVG: 45000 4.27477 26.8772 28.982 26.8771 42.8784 -12.9422 28.9819 -12.9423 -39.1441 GPRESSAVG: 45000 4.22859 26.5016 28.8868 24.524 43.9563 -11.3574 28.6071 -13.8812 -39.5266 TIMING: 45000 CPU: 130.805, 0.00288888/step Wall: 130.805, 0.00288888/step, 3.97622 hours remaining, 198.375000 MB of memory in use. ENERGY: 45000 772.8209 2124.5986 1962.9281 128.3551 -205730.9821 17493.4807 0.0000 0.0000 34111.9948 -149136.8038 297.9085 -183248.7986 -149041.6962 299.2792 -131.9048 -97.9761 557175.1229 2.6697 2.8861 PRESSURE: 45200 260.178 -188.164 -31.6432 -188.164 135.143 159.451 -31.6435 159.451 132.906 GPRESSURE: 45200 250.292 -220.66 -21.2011 -138.773 144.181 158.045 -79.1849 187.699 212.163 PRESSAVG: 45200 -17.0757 10.7755 -69.2348 10.7755 14.0367 59.5717 -69.2349 59.5716 20.4074 GPRESSAVG: 45200 -18.0801 9.97107 -69.5353 12.7588 13.9336 58.0475 -68.6048 59.0446 21.125 TIMING: 45200 CPU: 131.385, 0.00289834/step Wall: 131.385, 0.00289834/step, 3.98908 hours remaining, 198.375000 MB of memory in use. ENERGY: 45200 705.6181 2120.8946 1981.5124 115.0066 -206388.2805 17991.6264 0.0000 0.0000 34139.1397 -149334.4827 298.1456 -183473.6225 -149234.6964 298.5326 176.0758 202.2121 555686.7117 5.7895 5.6595 PRESSURE: 45400 191.372 172.197 18.5685 172.195 83.2078 -30.3805 18.5687 -30.3793 -153.27 GPRESSURE: 45400 247.144 143.09 7.62672 110.179 126.413 -13.3869 117.293 40.223 -165.906 PRESSAVG: 45400 -77.6353 41.5184 54.4232 41.5183 53.641 9.67749 54.4232 9.67754 24.9936 GPRESSAVG: 45400 -76.4519 41.0616 55.1484 40.6175 53.2082 10.6348 53.4774 8.81721 23.939 TIMING: 45400 CPU: 131.963, 0.00288921/step Wall: 131.963, 0.00288921/step, 3.97636 hours remaining, 198.375000 MB of memory in use. ENERGY: 45400 733.1770 2087.1943 1987.0445 117.9015 -206523.2160 17936.2107 0.0000 0.0000 34370.4369 -149291.2512 300.1656 -183661.6880 -149192.5128 298.5769 40.4365 69.2169 557272.3810 0.3331 0.2318 PRESSURE: 45600 136.734 -21.6843 -112.387 -21.6845 -105.131 -24.213 -112.387 -24.2138 -163.558 GPRESSURE: 45600 164.561 -50.6738 -114.622 52.6929 -35.2577 -60.5373 -108.321 -21.2299 -171.063 PRESSAVG: 45600 26.3011 -21.0661 11.5687 -21.0661 -31.8215 -27.362 11.5688 -27.362 -7.36768 GPRESSAVG: 45600 25.2655 -21.2624 13.5163 -20.0597 -31.6772 -27.7088 10.4452 -25.7653 -6.23917 TIMING: 45600 CPU: 132.552, 0.00294492/step Wall: 132.552, 0.00294492/step, 4.05286 hours remaining, 198.375000 MB of memory in use. ENERGY: 45600 735.8909 2095.3842 1984.0524 114.6855 -206438.1163 17925.6658 0.0000 0.0000 34296.2488 -149286.1886 299.5177 -183582.4375 -149186.8472 298.7582 -43.9848 -13.9201 558454.7438 -4.2960 -4.2169 PRESSURE: 45800 -67.5093 -218.137 -9.70927 -218.138 -19.3623 230.416 -9.71049 230.417 110.058 GPRESSURE: 45800 -29.2585 -177.16 -16.4949 -255.841 63.2097 227.175 38.0305 182.553 98.9058 PRESSAVG: 45800 -7.41078 -26.5044 -17.468 -26.5043 23.8587 25.4405 -17.468 25.4406 -35.4038 GPRESSAVG: 45800 -6.46865 -25.8015 -17.8831 -27.1049 24.1923 25.9274 -16.7823 24.3524 -35.9408 TIMING: 45800 CPU: 133.133, 0.00290484/step Wall: 133.133, 0.00290484/step, 3.99754 hours remaining, 198.375000 MB of memory in use. ENERGY: 45800 713.9864 2095.4463 1983.1895 120.5396 -206388.8226 17996.9063 0.0000 0.0000 34219.4959 -149259.2585 298.8474 -183478.7544 -149165.1547 298.4706 7.7288 44.2857 559911.8213 -6.3186 -6.0724 PRESSURE: 46000 27.6395 43.2649 46.4909 43.2656 -81.7751 -28.7224 46.4915 -28.7229 118.44 GPRESSURE: 46000 59.0777 60.3154 29.7832 36.574 -61.4955 -142.289 66.65 98.2393 158.783 PRESSAVG: 46000 63.9457 -40.2993 16.5986 -40.2993 -20.9899 24.3253 16.5986 24.3253 -38.206 GPRESSAVG: 46000 64.1382 -42.2723 16.8325 -39.403 -21.8053 23.5329 16.8051 26.3122 -37.8743 TIMING: 46000 CPU: 133.714, 0.00290801/step Wall: 133.714, 0.00290801/step, 4.00174 hours remaining, 198.375000 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: 46000 723.0141 2122.6060 1974.0003 98.6857 -206455.9727 18041.3913 0.0000 0.0000 34530.7494 -148965.5259 301.5656 -183496.2754 -148859.8018 299.8001 21.4349 52.1218 558257.0571 1.5833 1.4862 PRESSURE: 46200 317.576 66.8784 38.4221 66.8804 51.5629 63.9832 38.4219 63.9827 208.609 GPRESSURE: 46200 348.269 82.2752 55.9784 21.1168 88.7959 75.2376 3.94329 80.9593 230.762 PRESSAVG: 46200 63.1286 21.6127 -60.1281 21.6128 -18.8084 24.0677 -60.128 24.0677 -21.6412 GPRESSAVG: 46200 62.4657 23.6645 -58.7671 21.2926 -18.375 26.9141 -59.455 21.6126 -21.5455 TIMING: 46200 CPU: 134.293, 0.00289518/step Wall: 134.293, 0.00289518/step, 3.98393 hours remaining, 198.375000 MB of memory in use. ENERGY: 46200 717.7583 2120.8169 1954.6791 115.6606 -205819.7007 17792.9263 0.0000 0.0000 34223.6938 -148894.1657 298.8840 -183117.8595 -148787.3630 300.5167 192.5826 222.6090 557289.6479 7.5597 7.5151 PRESSURE: 46400 240.858 171.013 146.621 171.011 325.052 200.354 146.62 200.353 199.69 GPRESSURE: 46400 222.746 19.9693 92.0547 231.18 387.144 182.818 156.657 181.443 252.299 PRESSAVG: 46400 4.3487 -34.8646 9.75974 -34.8646 -41.7099 25.2575 9.75972 25.2575 7.01634 GPRESSAVG: 46400 4.70519 -35.9182 7.03302 -34.4054 -41.8007 23.3157 8.8935 26.3787 7.16456 TIMING: 46400 CPU: 134.877, 0.0029171/step Wall: 134.877, 0.0029171/step, 4.01393 hours remaining, 198.375000 MB of memory in use. ENERGY: 46400 746.2779 2173.4311 1989.3111 124.4556 -206009.7675 17880.7344 0.0000 0.0000 34269.6594 -148825.8980 299.2855 -183095.5574 -148728.6269 299.8228 255.2000 287.3964 556457.5230 -10.1150 -9.9770 PRESSURE: 46600 -13.7358 51.7729 -36.4252 51.7749 -258.828 30.6166 -36.4241 30.6171 90.7566 GPRESSURE: 46600 4.23795 43.7626 19.8721 47.4372 -196.613 0.500562 71.5383 70.624 111.055 PRESSAVG: 46600 -7.59367 -13.9776 37.6255 -13.9776 -16.1827 1.23371 37.6255 1.23379 29.6206 GPRESSAVG: 46600 -7.82475 -11.9331 39.2088 -13.9806 -14.9989 0.00928417 37.6832 1.49152 29.2839 TIMING: 46600 CPU: 135.458, 0.00290948/step Wall: 135.458, 0.00290948/step, 4.00328 hours remaining, 198.375000 MB of memory in use. ENERGY: 46600 763.4944 2062.0466 1977.6309 115.3831 -206071.9084 17834.4532 0.0000 0.0000 34553.1987 -148765.7016 301.7617 -183318.9003 -148664.8079 300.5219 -60.6023 -27.1066 557780.5200 1.9481 2.1534 PRESSURE: 46800 -188.2 48.9627 12.7876 48.9626 -54.02 -24.6202 12.786 -24.619 -130.461 GPRESSURE: 46800 -122.913 103.678 -9.73767 -37.1012 -40.8978 -56.2177 33.8148 30.3437 -108.899 PRESSAVG: 46800 -35.8344 -24.9093 -17.7408 -24.9093 -58.3167 48.8577 -17.7408 48.8577 47.3324 GPRESSAVG: 46800 -35.3427 -24.6552 -17.7309 -26.1505 -57.9988 49.0748 -16.7436 52.1966 47.3586 TIMING: 46800 CPU: 136.041, 0.00291045/step Wall: 136.041, 0.00291045/step, 4.00446 hours remaining, 198.375000 MB of memory in use. ENERGY: 46800 771.6622 2145.3795 1973.5556 113.9533 -205887.5650 17675.4582 0.0000 0.0000 34289.0776 -148918.4786 299.4550 -183207.5562 -148825.4949 300.7432 -124.2270 -90.9031 558082.2001 -15.6062 -15.3276 PRESSURE: 47000 -319.974 56.0093 5.63984 56.0107 -147.376 37.1224 5.64022 37.1249 -315.35 GPRESSURE: 47000 -276.492 -43.4931 -2.09079 117.515 -97.2865 -9.37265 11.4128 17.23 -314.322 PRESSAVG: 47000 -15.1862 -29.5211 26.5976 -29.521 55.4797 8.90872 26.5976 8.90873 -53.6259 GPRESSAVG: 47000 -15.1968 -31.2305 25.3037 -27.4371 53.5522 9.5552 25.4652 6.0874 -51.9301 TIMING: 47000 CPU: 136.622, 0.00290767/step Wall: 136.622, 0.00290767/step, 4.00047 hours remaining, 198.375000 MB of memory in use. ENERGY: 47000 770.2768 2091.7734 1980.3055 107.2727 -205518.9831 17411.1563 0.0000 0.0000 34160.6609 -148997.5375 298.3335 -183158.1985 -148900.2117 299.9949 -260.8999 -229.3669 559047.9686 -4.4442 -4.5249 PRESSURE: 47200 43.6473 75.877 -119.249 75.8769 -94.5071 -18.6001 -119.249 -18.5998 -51.9051 GPRESSURE: 47200 90.7772 37.273 -119.32 159.702 -44.517 -12.7655 -152.706 -36.7902 -51.7597 PRESSAVG: 47200 0.232512 -13.9628 -10.5462 -13.9629 11.6159 -19.823 -10.5461 -19.8229 16.1348 GPRESSAVG: 47200 -0.590135 -12.6307 -8.62672 -18.0067 11.8857 -21.4409 -10.0966 -19.8332 16.3482 TIMING: 47200 CPU: 137.206, 0.00291921/step Wall: 137.206, 0.00291921/step, 4.01618 hours remaining, 198.375000 MB of memory in use. ENERGY: 47200 726.9729 2082.5306 1992.6054 97.3462 -206014.2022 17735.1555 0.0000 0.0000 34325.9304 -149053.6613 299.7769 -183379.5917 -148954.9655 299.3559 -34.2550 -1.8332 557834.7513 9.3278 9.2146 PRESSURE: 47400 23.2078 268.606 -28.4492 268.605 -34.8047 -79.0989 -28.4483 -79.0992 124.554 GPRESSURE: 47400 57.3621 251.883 63.3782 172.1 -60.2897 -27.654 -143.181 -19.0585 226.658 PRESSAVG: 47400 72.7046 72.5019 -5.41414 72.5019 -0.537425 8.22032 -5.41417 8.22027 -53.8261 GPRESSAVG: 47400 72.1886 68.4275 -7.90388 76.4723 -0.286494 8.66395 -4.77001 8.141 -53.8725 TIMING: 47400 CPU: 137.784, 0.0028901/step Wall: 137.784, 0.0028901/step, 3.97598 hours remaining, 198.375000 MB of memory in use. ENERGY: 47400 748.3544 2062.5969 1995.8286 113.7950 -206121.5092 17971.5934 0.0000 0.0000 34133.9034 -149095.4375 298.0999 -183229.3409 -149003.4834 299.1163 37.6524 74.5768 558882.5888 6.1137 6.0098 PRESSURE: 47600 28.3476 -34.2724 54.7845 -34.2714 -58.4214 -45.5244 54.784 -45.524 -348.149 GPRESSURE: 47600 94.8643 4.24908 63.1632 -51.5077 -40.4591 -121.831 45.6242 -26.0657 -341.175 PRESSAVG: 47600 -21.152 42.58 20.6883 42.58 -38.4789 11.6331 20.6883 11.6331 31.4831 GPRESSAVG: 47600 -19.2433 46.6252 19.7267 40.9324 -37.6471 12.7044 21.5644 10.8131 29.3448 TIMING: 47600 CPU: 138.364, 0.00290246/step Wall: 138.364, 0.00290246/step, 3.99282 hours remaining, 198.375000 MB of memory in use. ENERGY: 47600 754.7382 2093.9332 1960.0730 118.3665 -205831.0454 17676.9043 0.0000 0.0000 34273.7344 -148953.2958 299.3210 -183227.0302 -148853.1024 299.2145 -126.0742 -95.5900 558685.0776 -9.3826 -9.1819 PRESSURE: 47800 94.1046 -61.0177 -107.575 -61.0169 -46.5679 35.9956 -107.575 35.995 69.7365 GPRESSURE: 47800 207.083 -13.2323 -83.5373 -98.9349 -90.9098 12.2441 -170.132 103.755 98.5084 PRESSAVG: 47800 31.1988 1.8315 41.1013 1.83141 22.8792 28.8249 41.1011 28.825 15.391 GPRESSAVG: 47800 30.9791 0.0312221 43.1404 1.69031 21.3668 27.2793 40.1816 29.528 16.7002 TIMING: 47800 CPU: 138.936, 0.00285581/step Wall: 138.936, 0.00285581/step, 3.92848 hours remaining, 198.375000 MB of memory in use. ENERGY: 47800 760.4330 2096.2619 1976.8987 114.9448 -205731.8793 17728.6766 0.0000 0.0000 34140.4718 -148914.1925 298.1572 -183054.6643 -148824.9659 299.2862 39.0911 71.5604 559375.1377 23.1563 23.0154 PRESSURE: 48000 298.921 40.3757 -4.37724 40.3745 154.554 112.983 -4.37901 112.98 147.615 GPRESSURE: 48000 357.006 -30.9722 -54.8576 -34.0086 128.485 138.057 -30.7396 16.7355 203.731 PRESSAVG: 48000 28.7467 4.26366 67.4284 4.26366 -19.5915 -3.4762 67.4284 -3.47614 -30.8393 GPRESSAVG: 48000 28.0714 3.29805 65.6564 5.21769 -19.2098 -2.96056 68.8006 -4.54793 -30.4054 TIMING: 48000 CPU: 139.512, 0.00288352/step Wall: 139.512, 0.00288352/step, 3.96644 hours remaining, 198.375000 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: 48000 776.2656 2092.0999 1995.2062 127.9914 -206451.5873 18099.7296 0.0000 0.0000 34420.4064 -148939.8882 300.6020 -183360.2946 -148840.1936 299.3111 200.3633 229.7405 556231.6252 -7.2280 -7.1812 PRESSURE: 48200 -77.2461 -40.5003 15.042 -40.5002 14.9399 29.5594 15.0423 29.5598 42.7438 GPRESSURE: 48200 -74.7675 -21.9484 104.719 -33.0788 74.22 -0.749247 38.6473 3.09172 81.5533 PRESSAVG: 48200 4.56151 -35.4663 70.6017 -35.4663 32.7648 -6.05817 70.6018 -6.05821 -30.2511 GPRESSAVG: 48200 5.42065 -34.8961 73.1502 -34.9011 33.5607 -4.57308 68.4907 -7.16584 -31.6994 TIMING: 48200 CPU: 140.091, 0.00289365/step Wall: 140.091, 0.00289365/step, 3.98022 hours remaining, 198.375000 MB of memory in use. ENERGY: 48200 712.3919 2088.0297 2001.7344 102.0252 -205776.4857 17597.2485 0.0000 0.0000 34270.9420 -149004.1140 299.2967 -183275.0560 -148906.4941 299.8679 -6.5208 27.0019 557525.3076 2.3584 2.4273 LDB: ============= START OF LOAD BALANCING ============== 143.556 LDB: ============== END OF LOAD BALANCING =============== 143.556 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 143.557 LDB: ============= START OF LOAD BALANCING ============== 143.847 LDB: Largest compute 4827 load 0.028369 is 24.2% of average load 0.117259 LDB: Average compute 0.001725 is 1.5% of average load 0.117259 LDB: TIME 143.85 LOAD: AVG 0.117259 MAX 0.176208 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.199 MB LDB: TIME 143.85 LOAD: AVG 0.117259 MAX 0.176208 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.199 MB LDB: TIME 143.85 LOAD: AVG 0.117259 MAX 0.176208 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.199 MB LDB: ============== END OF LOAD BALANCING =============== 143.852 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 143.856 PRESSURE: 48400 77.9747 22.5566 -40.385 22.5565 132.704 -216.426 -40.3837 -216.426 180.842 GPRESSURE: 48400 118.51 18.3781 -137.307 70.4232 140.819 -138.413 -8.79938 -220.622 234.089 PRESSAVG: 48400 -13.4224 -12.1433 15.4045 -12.1434 80.1494 20.5321 15.4044 20.532 -80.507 GPRESSAVG: 48400 -13.5014 -11.3078 13.4807 -11.0655 79.2372 18.6546 16.4298 23.1136 -79.3379 TIMING: 48400 CPU: 140.68, 0.00294724/step Wall: 140.68, 0.00294724/step, 4.05376 hours remaining, 197.914062 MB of memory in use. ENERGY: 48400 732.3994 2139.9064 1988.5031 107.1150 -206315.8833 18048.9370 0.0000 0.0000 34490.4964 -148808.5260 301.2141 -183299.0224 -148705.6909 299.4331 130.5068 164.4723 557423.1972 -4.5933 -4.5340 PRESSURE: 48600 57.8038 24.9146 9.66565 24.9145 -66.151 -257.841 9.66615 -257.841 -28.6816 GPRESSURE: 48600 60.1446 43.4509 27.4249 -29.421 -46.5244 -300.22 79.1644 -232.673 50.0771 PRESSAVG: 48600 38.737 -38.7043 -22.3568 -38.7043 27.6476 -24.4086 -22.3568 -24.4087 3.70704 GPRESSAVG: 48600 37.4858 -39.8782 -22.0283 -39.714 28.3638 -26.0934 -22.5618 -27.4703 3.91575 TIMING: 48600 CPU: 141.261, 0.002903/step Wall: 141.261, 0.002903/step, 3.99276 hours remaining, 198.117188 MB of memory in use. ENERGY: 48600 751.2793 2109.2354 1971.4016 113.4268 -205633.3760 17530.8983 0.0000 0.0000 34077.4666 -149079.6681 297.6070 -183157.1347 -148982.7823 299.4122 -12.3429 21.2324 556448.0912 23.3639 23.2551 PRESSURE: 48800 223.182 -83.8022 162.946 -83.7995 131.095 195.91 162.948 195.909 -98.7128 GPRESSURE: 48800 251.838 -133.897 268.285 -60.8192 186.133 240.152 126.362 163.099 -76.217 PRESSAVG: 48800 -29.1528 -38.8655 14.7702 -38.8654 69.8692 55.3728 14.7702 55.3727 -11.1457 GPRESSAVG: 48800 -28.577 -36.2069 15.6478 -39.2475 68.1629 56.8988 14.0728 57.2021 -10.3966 TIMING: 48800 CPU: 141.846, 0.00292289/step Wall: 141.846, 0.00292289/step, 4.01994 hours remaining, 198.117188 MB of memory in use. ENERGY: 48800 774.6683 2112.0282 1978.7174 113.1926 -206257.8383 17781.2895 0.0000 0.0000 34040.6079 -149457.3343 297.2851 -183497.9422 -149359.0401 298.5995 85.1880 120.5847 555023.5078 9.8569 9.7298 PRESSURE: 49000 59.7243 28.2246 140.651 28.2238 168.79 -18.2217 140.651 -18.2205 -145.878 GPRESSURE: 49000 83.2404 55.3996 124.543 47.0031 173.774 138.538 167.897 -128.601 -82.4688 PRESSAVG: 49000 16.4168 2.95091 40.5716 2.95092 66.8556 19.9431 40.5717 19.9432 -60.4929 GPRESSAVG: 49000 15.7208 1.37876 38.9114 3.5331 67.6648 21.2489 42.2989 18.6759 -60.5629 TIMING: 49000 CPU: 142.43, 0.00292271/step Wall: 142.43, 0.00292271/step, 4.01954 hours remaining, 198.117188 MB of memory in use. ENERGY: 49000 784.6345 2066.8840 1979.8327 123.2967 -206045.0874 17743.8688 0.0000 0.0000 34070.8601 -149275.7107 297.5493 -183346.5707 -149177.0468 298.6647 27.5454 58.1818 555259.9843 7.5932 7.6076 PRESSURE: 49200 -263.597 -181.096 -189.735 -181.094 -320.206 38.1273 -189.735 38.1277 -262.491 GPRESSURE: 49200 -231.099 -185.183 -156.848 -163.563 -232.531 15.5215 -261.054 57.0054 -280.165 PRESSAVG: 49200 19.1345 -18.7818 7.64373 -18.7818 -33.2786 -16.9832 7.64375 -16.9832 -7.30649 GPRESSAVG: 49200 20.0377 -16.5492 11.4039 -20.1706 -33.0178 -19.6591 5.27835 -13.7375 -8.66095 TIMING: 49200 CPU: 143.016, 0.00293128/step Wall: 143.016, 0.00293128/step, 4.03115 hours remaining, 198.117188 MB of memory in use. ENERGY: 49200 722.0674 2064.2391 1980.9071 111.9649 -205673.9623 17349.1122 0.0000 0.0000 34110.3449 -149335.3268 297.8941 -183445.6717 -149234.2335 298.5594 -282.0979 -247.9316 560375.8940 -7.1502 -7.2137 PRESSURE: 49400 -54.4001 100.125 -22.7179 100.125 -176.361 -114.688 -22.7177 -114.688 -299.229 GPRESSURE: 49400 -50.1396 110.62 125.149 79.332 -111.672 -86.5693 -91.8565 -70.2281 -277.441 PRESSAVG: 49400 20.8507 2.45812 6.38475 2.45811 -0.729053 -9.38368 6.38479 -9.38365 -38.2055 GPRESSAVG: 49400 20.162 -1.29338 4.45088 2.81573 -1.26046 -8.52876 8.38763 -11.2663 -36.8198 TIMING: 49400 CPU: 143.599, 0.00291401/step Wall: 143.599, 0.00291401/step, 4.00725 hours remaining, 198.117188 MB of memory in use. ENERGY: 49400 754.6205 2067.9087 2001.3987 118.2991 -206286.2805 17839.3962 0.0000 0.0000 34230.0804 -149274.5769 298.9398 -183504.6573 -149169.2052 298.0260 -176.6634 -146.4174 559155.1377 -6.0280 -5.9728 PRESSURE: 49600 -100.748 -51.7471 -182.386 -51.7475 -107.021 107.547 -182.387 107.547 -239.283 GPRESSURE: 49600 -119.532 0.256848 -114.548 -101.632 5.73308 162.562 -221.663 104.496 -224.198 PRESSAVG: 49600 -50.8684 29.7322 -5.23385 29.7323 56.1268 19.5467 -5.2339 19.5467 14.197 GPRESSAVG: 49600 -49.7546 34.0876 -4.87162 29.6806 55.8664 17.9197 -5.83573 20.0684 13.5584 TIMING: 49600 CPU: 144.178, 0.00289483/step Wall: 144.178, 0.00289483/step, 3.98071 hours remaining, 198.117188 MB of memory in use. ENERGY: 49600 737.3931 2078.5933 1983.5595 128.8519 -205810.6983 17717.0598 0.0000 0.0000 34085.2766 -149079.9641 297.6752 -183165.2407 -148985.2155 299.2565 -149.0170 -112.6658 559364.9907 6.4852 6.5567 PRESSURE: 49800 -12.7267 -90.0606 55.1108 -90.0603 -67.7243 -160.736 55.1104 -160.738 -223.236 GPRESSURE: 49800 36.1561 -39.6595 -5.14413 -38.9815 -28.453 -200.721 34.005 -130.579 -217.035 PRESSAVG: 49800 -52.4478 -35.1851 -0.797988 -35.1851 32.0104 -21.7408 -0.79803 -21.7408 46.0181 GPRESSAVG: 49800 -54.3392 -36.8842 -2.09898 -36.8489 34.495 -19.2239 -0.103352 -23.1265 46.2024 TIMING: 49800 CPU: 144.756, 0.00289134/step Wall: 144.756, 0.00289134/step, 3.97575 hours remaining, 198.117188 MB of memory in use. ENERGY: 49800 752.0551 2097.8434 2008.6560 107.8542 -205725.8894 17602.8612 0.0000 0.0000 34166.9867 -148989.6330 298.3888 -183156.6197 -148887.0527 299.8270 -101.2290 -69.7774 558237.8323 8.5269 8.7861 PRESSURE: 50000 39.8229 -163.37 -4.37123 -163.37 121.925 6.50521 -4.37068 6.50632 -175.624 GPRESSURE: 50000 125.519 -135.803 -14.8445 -184.184 89.7069 21.0128 9.58489 80.7546 -128.113 PRESSAVG: 50000 7.3842 -7.69093 15.3313 -7.69099 46.011 -11.0904 15.3313 -11.0904 -61.2736 GPRESSAVG: 50000 7.30136 -6.69059 16.964 -7.18649 45.5347 -13.1175 15.6372 -10.0101 -60.8295 TIMING: 50000 CPU: 145.342, 0.00292521/step Wall: 145.342, 0.00292521/step, 4.02216 hours remaining, 198.117188 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: 50000 726.8987 2110.3318 1961.9299 115.8553 -205969.4909 17845.1632 0.0000 0.0000 34307.3636 -148901.9484 299.6147 -183209.3120 -148810.0233 299.9653 -4.6252 29.0373 556967.5853 -2.6261 -2.6645 PRESSURE: 50200 53.7548 -13.8497 -3.19592 -13.8501 29.045 13.7257 -3.19504 13.7236 73.0421 GPRESSURE: 50200 127.843 -84.4393 42.253 -34.0825 65.3378 -92.7638 -52.8918 4.93472 64.9634 PRESSAVG: 50200 -8.35336 -20.3257 70.6267 -20.3257 36.4218 -7.00054 70.6267 -7.00046 11.1452 GPRESSAVG: 50200 -5.52236 -24.6865 70.2491 -16.9383 34.3398 -7.42027 71.8046 -8.0972 10.3918 TIMING: 50200 CPU: 145.921, 0.00289507/step Wall: 145.921, 0.00289507/step, 3.98055 hours remaining, 198.117188 MB of memory in use. ENERGY: 50200 780.1995 2071.3087 1964.3734 115.9152 -206015.2614 17808.6558 0.0000 0.0000 34348.9887 -148925.8201 299.9783 -183274.8088 -148831.8674 299.8551 51.9473 86.0479 557109.1894 13.0712 13.0697 PRESSURE: 50400 -15.1258 132.14 -141.905 132.14 -58.3469 -149.617 -141.905 -149.617 73.3847 GPRESSURE: 50400 -11.1453 165.761 -25.0337 160.708 -1.58623 -147.209 -207.796 -178.079 126.912 PRESSAVG: 50400 -30.7109 6.6441 -2.85184 6.64409 7.05791 -63.1123 -2.85183 -63.1124 -9.10146 GPRESSAVG: 50400 -31.965 9.26896 -3.76331 5.85908 6.93152 -61.7233 -3.19117 -62.8134 -7.8343 TIMING: 50400 CPU: 146.503, 0.00291126/step Wall: 146.503, 0.00291126/step, 4.00265 hours remaining, 198.117188 MB of memory in use. ENERGY: 50400 758.1269 2108.9087 1991.7850 108.0934 -206321.0383 18055.6385 0.0000 0.0000 34400.6093 -148897.8765 300.4291 -183298.4858 -148793.8299 300.0797 -0.0293 38.0601 560485.7077 -10.9182 -10.9559 PRESSURE: 50600 -135.452 36.6897 -186.807 36.6881 -7.57471 -64.5081 -186.805 -64.5074 14.8744 GPRESSURE: 50600 -90.6998 -1.93453 -171.023 131.065 49.1732 -46.6987 -265.66 -65.5374 10.6041 PRESSAVG: 50600 12.8186 31.8874 -23.1379 31.8874 -39.0922 -74.816 -23.1378 -74.816 19.4471 GPRESSAVG: 50600 12.2439 32.5216 -22.8811 30.726 -38.2818 -73.4745 -23.9431 -75.1797 18.6174 TIMING: 50600 CPU: 147.086, 0.00291616/step Wall: 147.086, 0.00291616/step, 4.00923 hours remaining, 198.117188 MB of memory in use. ENERGY: 50600 721.9031 2063.6172 1970.7994 122.3036 -205926.8409 17841.6751 0.0000 0.0000 34478.3962 -148728.1462 301.1084 -183206.5425 -148633.7205 300.2629 -42.7175 -10.3075 560133.9529 -2.2755 -2.4735 PRESSURE: 50800 -19.8087 -17.7628 -4.29836 -17.7643 -91.2919 -55.8549 -4.29793 -55.8535 -278.267 GPRESSURE: 50800 -1.88678 16.1655 83.0476 53.6354 -49.4335 -42.0298 -32.6214 -30.6274 -240.446 PRESSAVG: 50800 -7.48977 34.347 -49.2592 34.3469 12.3862 -88.6291 -49.2593 -88.6291 -8.005 GPRESSAVG: 50800 -6.85242 32.7832 -47.4232 32.9236 11.1696 -86.5487 -50.7471 -88.1824 -7.61849 TIMING: 50800 CPU: 147.665, 0.00289609/step Wall: 147.665, 0.00289609/step, 3.98149 hours remaining, 198.117188 MB of memory in use. ENERGY: 50800 776.7333 2127.0291 1978.8398 122.9187 -205697.1474 17658.3843 0.0000 0.0000 34251.2268 -148782.0154 299.1245 -183033.2422 -148688.9176 300.3910 -129.7893 -97.2553 558851.2763 -1.0362 -1.1004 PRESSURE: 51000 47.4708 135.242 168.306 135.242 108.128 54.3859 168.306 54.3869 -310.704 GPRESSURE: 51000 54.3882 210.243 115.373 198.287 155.696 6.95341 94.694 20.1621 -279.389 PRESSAVG: 51000 -4.39396 14.5901 -21.1934 14.5902 -46.3714 -7.0744 -21.1934 -7.0743 30.2702 GPRESSAVG: 51000 -6.1728 14.3717 -23.9231 17.3799 -44.9538 -10.6137 -19.1292 -7.4464 30.4023 TIMING: 51000 CPU: 148.243, 0.00288755/step Wall: 148.243, 0.00288755/step, 3.96958 hours remaining, 198.117188 MB of memory in use. ENERGY: 51000 749.3440 2089.1287 1968.2530 134.3518 -205933.5989 17654.7565 0.0000 0.0000 34439.4457 -148898.3191 300.7682 -183337.7648 -148809.0577 299.0866 -51.7018 -23.1016 557103.6269 -6.8317 -6.9081 PRESSURE: 51200 -43.5793 -184.567 106.969 -184.566 -254.572 123.617 106.969 123.616 43.0602 GPRESSURE: 51200 40.5739 -202.733 77.3714 -193.003 -215.904 162.815 105.984 104.54 15.9452 PRESSAVG: 51200 27.1762 -30.4804 -31.1763 -30.4804 2.72502 -40.8001 -31.1763 -40.8002 4.35235 GPRESSAVG: 51200 28.5907 -28.2514 -30.6482 -32.936 2.42449 -40.4687 -32.3873 -39.9451 2.74437 TIMING: 51200 CPU: 148.822, 0.00289561/step Wall: 148.822, 0.00289561/step, 3.9805 hours remaining, 198.117188 MB of memory in use. ENERGY: 51200 721.2890 2050.6273 1990.7636 106.2352 -205728.6091 17461.0899 0.0000 0.0000 34457.3784 -148941.2258 300.9249 -183398.6042 -148843.6658 300.1693 -85.0305 -53.1283 557671.7856 11.4178 11.2532 PRESSURE: 51400 -218.061 45.5186 141.353 45.5175 -414.373 -67.9279 141.352 -67.9272 -466.55 GPRESSURE: 51400 -197.026 122.654 116.919 9.89666 -358.188 -97.3413 124.522 -65.9021 -450.059 PRESSAVG: 51400 70.3113 -23.1372 28.9422 -23.1372 6.93575 30.0236 28.9422 30.0237 -68.4238 GPRESSAVG: 51400 69.3781 -22.8758 28.4967 -20.7189 6.89249 30.6193 30.4463 29.234 -67.6086 TIMING: 51400 CPU: 149.403, 0.00290806/step Wall: 149.403, 0.00290806/step, 3.99746 hours remaining, 198.117188 MB of memory in use. ENERGY: 51400 795.7115 2074.3403 1991.0005 100.7276 -205617.1475 17364.0410 0.0000 0.0000 34320.7389 -148970.5877 299.7315 -183291.3267 -148880.0964 300.2461 -366.3278 -335.0911 558910.7642 2.9411 2.8873 PRESSURE: 51600 -80.8169 -146.379 -35.6817 -146.381 -91.9612 -78.8755 -35.6812 -78.8753 39.3039 GPRESSURE: 51600 -22.6403 -116.127 -51.7457 -170.711 -88.6785 -35.3445 78.4902 -140.271 69.3752 PRESSAVG: 51600 50.726 -32.2444 -19.8869 -32.2445 -69.6399 -6.17862 -19.8868 -6.17864 19.6953 GPRESSAVG: 51600 51.2545 -33.1629 -19.9516 -33.2702 -70.1084 -5.08942 -17.8401 -6.2939 19.0952 TIMING: 51600 CPU: 149.983, 0.00289963/step Wall: 149.983, 0.00289963/step, 3.9857 hours remaining, 198.117188 MB of memory in use. ENERGY: 51600 725.1170 2114.6684 1978.5544 109.0702 -206070.2119 17844.1233 0.0000 0.0000 34324.1200 -148974.5586 299.7611 -183298.6786 -148865.8341 299.7320 -44.4914 -13.9812 559078.8456 0.2605 0.0804 PRESSURE: 51800 -261.649 21.0623 -64.2594 21.0628 -132.349 -105.897 -64.2598 -105.897 -302.949 GPRESSURE: 51800 -195.164 6.99336 -64.3533 1.1446 -144.547 -24.516 -97.6047 -156.154 -258.856 PRESSAVG: 51800 10.6125 -41.3194 55.7981 -41.3193 -11.7235 -20.2954 55.7981 -20.2955 -28.5689 GPRESSAVG: 51800 9.87958 -41.7957 55.36 -41.9019 -10.3227 -21.3646 53.5079 -18.9995 -29.1346 TIMING: 51800 CPU: 150.562, 0.00289157/step Wall: 150.562, 0.00289157/step, 3.97446 hours remaining, 198.117188 MB of memory in use. ENERGY: 51800 767.4925 2051.5982 1993.7055 98.1091 -205761.8222 17595.3115 0.0000 0.0000 34312.6059 -148942.9995 299.6605 -183255.6054 -148846.0264 299.8562 -232.3158 -199.5223 560196.5971 -9.8933 -9.8592 PRESSURE: 52000 93.225 -62.0582 41.6042 -62.0589 -115.467 66.2385 41.6051 66.2401 -58.5102 GPRESSURE: 52000 84.4333 -69.6279 31.7146 -11.6749 -63.4302 -49.909 160.071 130.714 -14.1995 PRESSAVG: 52000 4.02734 -37.5814 20.2474 -37.5815 6.36307 -14.0408 20.2474 -14.0407 -21.1138 GPRESSAVG: 52000 5.1649 -37.2204 21.0898 -37.3914 5.10693 -15.3429 19.7869 -13.1722 -21.2609 TIMING: 52000 CPU: 151.144, 0.00291205/step Wall: 151.144, 0.00291205/step, 4.00246 hours remaining, 198.117188 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: 52000 721.4839 2127.3522 1956.7990 122.6371 -205951.7509 17681.4139 0.0000 0.0000 34280.4523 -149061.6123 299.3797 -183342.0646 -148967.6977 299.6523 -26.9174 2.2679 557608.7415 -3.5745 -3.6630 PRESSURE: 52200 51.2869 -82.5949 86.9931 -82.5958 39.4575 -203.025 86.9934 -203.024 -56.9908 GPRESSURE: 52200 117.211 -46.1068 89.7932 -114.104 75.1368 -118.438 87.5881 -227.27 -53.9071 PRESSAVG: 52200 63.6451 3.43064 -29.0289 3.43058 -57.3374 -21.8252 -29.0289 -21.8251 14.7005 GPRESSAVG: 52200 63.356 4.265 -27.5963 2.94852 -57.9715 -20.0689 -30.3118 -21.8662 15.3826 TIMING: 52200 CPU: 151.728, 0.00291955/step Wall: 151.728, 0.00291955/step, 4.0126 hours remaining, 198.117188 MB of memory in use. ENERGY: 52200 731.2055 2096.7769 1954.7351 116.8607 -206227.9558 17865.1954 0.0000 0.0000 34414.9356 -149048.2465 300.5542 -183463.1821 -148944.7520 300.2738 11.2512 46.1470 557843.1405 7.0028 6.9223 LDB: ============= START OF LOAD BALANCING ============== 155.196 LDB: ============== END OF LOAD BALANCING =============== 155.196 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 155.198 LDB: ============= START OF LOAD BALANCING ============== 155.49 LDB: Largest compute 4827 load 0.027582 is 23.5% of average load 0.117306 LDB: Average compute 0.001726 is 1.5% of average load 0.117306 LDB: TIME 155.492 LOAD: AVG 0.117306 MAX 0.178254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.684 MB LDB: TIME 155.493 LOAD: AVG 0.117306 MAX 0.178254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.754 MB LDB: TIME 155.493 LOAD: AVG 0.117306 MAX 0.178254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 155.495 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 155.499 PRESSURE: 52400 -153.595 42.1593 -139.904 42.1604 -193.339 -220.944 -139.904 -220.945 -88.3156 GPRESSURE: 52400 -172.423 3.86741 -183.815 -11.3312 -120.509 -314.585 -117.392 -146.448 -45.3052 PRESSAVG: 52400 -1.62693 -49.0687 32.7393 -49.0686 -13.5394 -49.0243 32.7393 -49.0243 -25.3286 GPRESSAVG: 52400 -1.90324 -49.3549 32.6275 -48.9183 -12.5317 -49.5541 34.7276 -50.1176 -25.8702 TIMING: 52400 CPU: 152.324, 0.00297797/step Wall: 152.324, 0.00297797/step, 4.09272 hours remaining, 197.968750 MB of memory in use. ENERGY: 52400 746.0719 2066.4227 1984.0449 103.1182 -205741.9109 17603.7511 0.0000 0.0000 34101.6326 -149136.8696 297.8180 -183238.5022 -149035.1784 299.8444 -145.0830 -112.7457 558143.0786 -13.4983 -13.4350 PRESSURE: 52600 206.506 -70.139 -28.2371 -70.1378 286.304 53.5991 -28.2373 53.5991 -33.9525 GPRESSURE: 52600 247.702 -64.5483 -50.8397 38.9586 259.088 -15.225 -51.3074 95.5446 49.6706 PRESSAVG: 52600 26.8739 -39.2719 -22.6892 -39.2718 -18.5794 13.6153 -22.6892 13.6152 -23.7771 GPRESSAVG: 52600 28.1239 -39.0962 -21.0568 -40.6091 -20.3182 13.6426 -25.7649 12.6676 -23.2732 TIMING: 52600 CPU: 152.904, 0.00290007/step Wall: 152.904, 0.00290007/step, 3.98551 hours remaining, 198.171875 MB of memory in use. ENERGY: 52600 739.1508 2102.3582 1974.3872 106.5506 -206320.1253 18072.5510 0.0000 0.0000 34233.6412 -149091.4865 298.9709 -183325.1277 -148996.4943 299.5389 152.9525 185.4867 557530.9446 -5.1608 -5.1558 PRESSURE: 52800 -199.415 -25.8475 41.1063 -25.8476 183.967 199.952 41.107 199.95 -151.198 GPRESSURE: 52800 -177.463 28.4976 21.6206 -42.4912 174.532 176.695 43.4109 152.58 -76.6328 PRESSAVG: 52800 32.0904 -5.85901 -40.381 -5.85891 34.4365 -15.193 -40.3811 -15.193 -44.9346 GPRESSAVG: 52800 31.8104 -5.53691 -42.48 -4.68389 35.276 -14.3119 -37.1772 -13.2659 -45.0819 TIMING: 52800 CPU: 153.484, 0.00290305/step Wall: 153.484, 0.00290305/step, 3.98944 hours remaining, 198.171875 MB of memory in use. ENERGY: 52800 736.2753 2112.0761 1952.8970 108.1727 -206189.3466 17648.8006 0.0000 0.0000 34465.0635 -149166.0614 300.9920 -183631.1249 -149062.4418 299.7471 -55.5489 -26.5211 556422.8469 7.1974 7.3348 PRESSURE: 53000 71.5664 20.2177 9.72644 20.2185 -97.9451 -185.062 9.72573 -185.061 47.1185 GPRESSURE: 53000 134.647 13.1579 80.0191 30.8843 -94.2147 -106.558 -25.1317 -213.113 76.4476 PRESSAVG: 53000 30.1717 32.7868 9.34921 32.7868 -42.5411 -4.43928 9.34918 -4.43939 19.0875 GPRESSAVG: 53000 29.3341 31.7431 8.50453 32.7032 -42.5795 -4.94349 8.92327 -5.63961 19.9468 TIMING: 53000 CPU: 154.074, 0.00294769/step Wall: 154.074, 0.00294769/step, 4.05062 hours remaining, 198.171875 MB of memory in use. ENERGY: 53000 726.2020 2120.1443 1977.6704 98.3025 -205625.8355 17442.3198 0.0000 0.0000 34229.8969 -149031.2997 298.9382 -183261.1966 -148938.9404 299.1377 6.9133 38.9600 555440.4382 2.2394 2.2338 PRESSURE: 53200 -208.804 126.775 86.6422 126.775 -70.1713 -191.26 86.6421 -191.26 243.434 GPRESSURE: 53200 -209.087 193.814 50.0156 83.0791 -37.9263 -148.664 106.32 -133.641 308.846 PRESSAVG: 53200 -20.7859 33.0521 62.7729 33.0521 49.6741 -30.1008 62.7728 -30.1009 -1.70357 GPRESSAVG: 53200 -20.2233 33.6808 64.8872 32.7183 49.7132 -30.8442 62.3325 -29.7973 -2.44169 TIMING: 53200 CPU: 154.655, 0.00290503/step Wall: 154.655, 0.00290503/step, 3.99183 hours remaining, 198.171875 MB of memory in use. ENERGY: 53200 770.0409 2054.8703 1969.0728 117.8001 -205748.9134 17516.1815 0.0000 0.0000 34257.6240 -149063.3238 299.1804 -183320.9477 -148969.0090 299.1207 -11.8470 20.6112 556965.7413 9.0616 9.0161 PRESSURE: 53400 -46.5087 68.5267 -6.73363 68.5258 192.465 -123.03 -6.7328 -123.03 -108.734 GPRESSURE: 53400 -31.9679 149.822 -16.5949 40.7562 245.827 -148.763 15.6281 -154.935 -83.5889 PRESSAVG: 53400 -20.7391 -11.729 -34.121 -11.7289 4.55993 -48.8422 -34.121 -48.8423 33.8696 GPRESSAVG: 53400 -22.3234 -12.2622 -35.711 -12.2929 5.6985 -47.8169 -33.009 -49.9193 35.0073 TIMING: 53400 CPU: 155.235, 0.00290001/step Wall: 155.235, 0.00290001/step, 3.98478 hours remaining, 198.171875 MB of memory in use. ENERGY: 53400 752.2669 2030.8328 1961.4817 110.9211 -206098.4597 17828.0189 0.0000 0.0000 34273.3730 -149141.5653 299.3179 -183414.9383 -149047.9862 298.8927 12.4076 43.4235 556073.1767 5.8968 6.1275 PRESSURE: 53600 -159.997 98.3872 -227.523 98.3888 163.368 62.637 -227.522 62.6385 -59.7399 GPRESSURE: 53600 -81.8111 96.0398 -171.289 84.576 163.201 72.4818 -272.405 99.0293 -41.7764 PRESSAVG: 53600 -5.80162 18.6281 18.8398 18.628 5.16296 -47.043 18.8398 -47.0429 23.3919 GPRESSAVG: 53600 -5.13732 19.4259 20.1933 20.389 4.81529 -49.533 16.5837 -46.3605 23.4273 TIMING: 53600 CPU: 155.815, 0.00289921/step Wall: 155.815, 0.00289921/step, 3.98351 hours remaining, 198.171875 MB of memory in use. ENERGY: 53600 707.5256 2103.5007 1960.5453 116.2473 -205493.7709 17477.6167 0.0000 0.0000 34126.8505 -149001.4849 298.0383 -183128.3354 -148904.4627 299.2672 -18.7897 13.2045 556736.1869 7.5844 7.7018 PRESSURE: 53800 -235.325 95.4183 203.929 95.4187 -21.9057 16.059 203.928 16.0596 -134.723 GPRESSURE: 53800 -198.261 84.1521 160.068 125.949 -24.0535 34.5319 300.431 -84.6126 -62.0475 PRESSAVG: 53800 -2.43671 51.5977 -21.7162 51.5978 -52.1385 -14.1645 -21.7162 -14.1643 23.5026 GPRESSAVG: 53800 -1.63128 51.7361 -20.1206 49.8822 -51.8905 -14.4988 -21.5735 -13.4745 23.5364 TIMING: 53800 CPU: 156.398, 0.00291548/step Wall: 156.398, 0.00291548/step, 4.00571 hours remaining, 198.171875 MB of memory in use. ENERGY: 53800 723.2341 2108.9088 1983.7763 121.3484 -205665.2940 17589.0456 0.0000 0.0000 34335.4679 -148803.5128 299.8602 -183138.9807 -148705.1549 299.5452 -130.6512 -94.7874 558109.2145 -10.3576 -9.9951 PRESSURE: 54000 208.95 -160.504 -50.7046 -160.503 -239.827 95.0962 -50.7044 95.0961 -1.64022 GPRESSURE: 54000 241.261 -160.605 -47.736 -167.129 -179.931 32.0176 22.1056 105.477 8.1487 PRESSAVG: 54000 12.4768 54.8336 9.95184 54.8336 -35.0141 23.9359 9.95185 23.936 23.2386 GPRESSAVG: 54000 12.9385 56.2617 9.11332 56.4013 -36.0192 24.6132 10.2613 24.6938 23.2212 TIMING: 54000 CPU: 156.975, 0.00288733/step Wall: 156.975, 0.00288733/step, 3.96687 hours remaining, 198.171875 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: 54000 720.8151 2121.3058 1937.2044 112.5657 -205661.4180 17702.9501 0.0000 0.0000 34398.5077 -148668.0691 300.4107 -183066.5768 -148571.6555 300.0793 -10.8392 23.1598 558358.8678 0.2338 0.0468 PRESSURE: 54200 50.8374 -0.409322 -19.5356 -0.409768 142.834 -108.794 -19.5351 -108.795 -17.1764 GPRESSURE: 54200 55.357 -10.2871 -96.3554 -64.268 124.314 -32.282 -4.39384 -59.7112 91.3889 PRESSAVG: 54200 27.4225 -9.81245 -20.4308 -9.81251 3.80818 18.8543 -20.4307 18.8541 -29.7899 GPRESSAVG: 54200 27.4506 -7.59245 -21.5723 -11.7707 4.27115 18.9723 -20.8105 20.1647 -30.2398 TIMING: 54200 CPU: 157.558, 0.00291212/step Wall: 157.558, 0.00291212/step, 4.00077 hours remaining, 198.171875 MB of memory in use. ENERGY: 54200 739.3834 2086.4615 1943.5779 116.7627 -205893.5419 17728.9927 0.0000 0.0000 34501.5327 -148776.8311 301.3105 -183278.3638 -148677.0964 300.3981 58.8315 90.3533 557752.7743 0.4802 0.4940 PRESSURE: 54400 135.362 -2.30938 40.9364 -2.30948 44.0844 -10.3336 40.9372 -10.3346 -1.81977 GPRESSURE: 54400 141.817 4.45428 154.487 -7.03764 75.9269 -47.7468 41.2759 116.212 56.1964 PRESSAVG: 54400 17.7017 -18.0726 64.9681 -18.0726 16.7514 -16.4099 64.9681 -16.4098 -6.59254 GPRESSAVG: 54400 17.635 -22.1413 65.2162 -17.5062 15.7346 -14.7023 66.4329 -18.6919 -5.60032 TIMING: 54400 CPU: 158.136, 0.00289388/step Wall: 158.136, 0.00289388/step, 3.97554 hours remaining, 198.171875 MB of memory in use. ENERGY: 54400 782.7270 2089.1184 1945.8259 115.3423 -206073.2415 17936.1471 0.0000 0.0000 34304.7432 -148899.3376 299.5919 -183204.0808 -148806.7035 300.4285 59.2090 91.3134 557738.1258 9.2868 9.2564 PRESSURE: 54600 65.6196 46.644 20.8816 46.6448 19.6455 -66.3706 20.8807 -66.3725 49.9266 GPRESSURE: 54600 103.497 22.4813 -56.6803 78.9056 10.4982 -40.127 50.9883 -83.7672 116.062 PRESSAVG: 54600 0.250352 50.2188 48.4075 50.2187 3.3037 -35.0042 48.4075 -35.0042 -65.857 GPRESSAVG: 54600 -0.0953045 51.2755 47.1374 51.8256 4.77272 -37.3553 48.1772 -34.3183 -67.0994 TIMING: 54600 CPU: 158.721, 0.00292219/step Wall: 158.721, 0.00292219/step, 4.01428 hours remaining, 198.171875 MB of memory in use. ENERGY: 54600 695.5422 2125.4675 1956.6197 116.6324 -205908.5784 17474.8407 0.0000 0.0000 34526.6023 -149012.8736 301.5294 -183539.4760 -148919.4445 300.0102 45.0639 76.6857 556123.4392 -20.7676 -20.8073 PRESSURE: 54800 61.4511 -7.43524 137.85 -7.43675 61.6085 -7.00223 137.849 -7.00358 -135.951 GPRESSURE: 54800 92.1101 81.4185 75.0707 -39.1043 86.7759 -28.2772 191.326 2.40026 -105.566 PRESSAVG: 54800 49.051 2.79486 14.4235 2.79491 -69.1118 3.87854 14.4235 3.8783 21.4981 GPRESSAVG: 54800 48.9492 1.72375 15.671 1.71855 -69.2384 4.04334 14.7414 4.10538 21.6892 TIMING: 54800 CPU: 159.301, 0.00289905/step Wall: 159.301, 0.00289905/step, 3.98233 hours remaining, 198.171875 MB of memory in use. ENERGY: 54800 746.0078 2095.2268 1967.9823 121.9592 -205814.6371 17687.0884 0.0000 0.0000 34314.2715 -148882.1011 299.6751 -183196.3726 -148789.6236 300.4820 -4.2971 24.4399 556745.6408 0.4791 0.4666 PRESSURE: 55000 -43.9358 79.6581 -8.30474 79.6577 -263.394 44.9195 -8.30352 44.9209 -97.8225 GPRESSURE: 55000 21.8721 154.43 -20.0183 21.6177 -247.691 92.6277 -14.2095 18.7459 -77.523 PRESSAVG: 55000 38.3738 24.712 -13.3627 24.712 3.59717 -87.6503 -13.3628 -87.6503 -54.9306 GPRESSAVG: 55000 38.3831 24.1057 -12.3694 25.3559 4.25828 -84.6266 -14.513 -88.2584 -55.2727 TIMING: 55000 CPU: 159.878, 0.00288878/step Wall: 159.878, 0.00288878/step, 3.96805 hours remaining, 198.171875 MB of memory in use. ENERGY: 55000 742.3966 2081.6768 1995.1308 112.7752 -205641.9351 17468.9128 0.0000 0.0000 34249.1033 -148991.9396 299.1059 -183241.0428 -148890.1677 299.7824 -135.0507 -101.1139 556085.6377 -4.3199 -4.2104 PRESSURE: 55200 144.454 -94.7062 64.0728 -94.7062 -48.6559 -117.549 64.0734 -117.549 -169.195 GPRESSURE: 55200 197.767 -39.6896 57.4429 -114.373 -50.1207 -174.414 81.3832 -109.989 -119.084 PRESSAVG: 55200 -48.8159 -28.9784 37.6153 -28.9783 58.2921 -29.3589 37.6154 -29.3589 18.934 GPRESSAVG: 55200 -48.02 -27.3152 36.9707 -29.5413 57.7406 -29.8368 35.8901 -29.6118 18.5729 TIMING: 55200 CPU: 160.457, 0.00289148/step Wall: 160.457, 0.00289148/step, 3.97161 hours remaining, 198.171875 MB of memory in use. ENERGY: 55200 788.3246 2049.9607 1953.3219 130.3798 -206325.4602 17885.9006 0.0000 0.0000 34417.3774 -149100.1951 300.5755 -183517.5725 -149005.9973 300.2320 -24.4655 9.5208 556523.3492 9.4700 9.4312 PRESSURE: 55400 -78.2346 -9.57208 93.5926 -9.57255 -85.1715 54.5009 93.5928 54.5021 -31.2483 GPRESSURE: 55400 0.493846 -59.8873 47.1016 -27.2879 -88.8823 71.1838 58.9751 29.0452 -3.82289 PRESSAVG: 55400 23.0849 -16.0973 22.8959 -16.0974 10.3379 -17.1152 22.8959 -17.1152 -13.2477 GPRESSAVG: 55400 23.5229 -17.8412 24.8484 -15.2651 9.26727 -19.0721 23.1744 -16.4022 -12.7177 TIMING: 55400 CPU: 161.038, 0.00290597/step Wall: 161.038, 0.00290597/step, 3.99135 hours remaining, 198.171875 MB of memory in use. ENERGY: 55400 771.5901 2047.8357 1979.1249 107.7741 -206016.0208 17715.4003 0.0000 0.0000 34228.0565 -149166.2392 298.9221 -183394.2957 -149073.9915 299.2189 -64.8848 -30.7371 556416.5450 6.7250 6.6908 PRESSURE: 55600 -116.718 16.5584 5.21281 16.559 -60.4563 -9.50243 5.21128 -9.50169 0.354084 GPRESSURE: 55600 -139.577 67.5061 38.3052 54.6287 8.45904 -27.7315 -10.298 -5.84716 48.7395 PRESSAVG: 55600 -1.66584 14.4153 -0.617737 14.4153 48.7472 -28.2738 -0.617724 -28.2738 -43.1811 GPRESSAVG: 55600 -2.85392 17.4005 -3.22547 14.0046 48.894 -26.4497 0.390615 -31.2142 -42.5309 TIMING: 55600 CPU: 161.616, 0.00288845/step Wall: 161.616, 0.00288844/step, 3.96712 hours remaining, 198.171875 MB of memory in use. ENERGY: 55600 778.1707 2057.4124 1956.8054 109.6171 -206073.8879 17798.7299 0.0000 0.0000 34289.4749 -149083.6776 299.4585 -183373.1525 -148989.2114 299.3205 -58.9400 -27.4595 557876.4149 1.3001 1.1697 PRESSURE: 55800 -65.9704 106.641 -66.3991 106.642 293.727 21.471 -66.4003 21.4715 61.971 GPRESSURE: 55800 -56.2469 -6.91566 -110.066 200.837 343.945 0.391024 -61.0938 116.455 103.955 PRESSAVG: 55800 -4.16199 -29.0357 5.9406 -29.0356 72.6477 5.16264 5.94059 5.16257 -71.7165 GPRESSAVG: 55800 -4.28064 -29.7898 5.34648 -29.7852 72.2553 2.77281 7.10847 8.76817 -71.4152 TIMING: 55800 CPU: 162.195, 0.00289809/step Wall: 162.195, 0.00289809/step, 3.9802 hours remaining, 198.171875 MB of memory in use. ENERGY: 55800 742.0738 2077.3759 1960.0845 111.8196 -205861.9222 17763.7995 0.0000 0.0000 34270.1500 -148936.6189 299.2897 -183206.7689 -148836.2953 299.5234 96.5759 130.5510 557115.4163 -1.0769 -1.1468 PRESSURE: 56000 -91.7555 32.6672 -215.295 32.6669 -2.06503 -93.6665 -215.295 -93.6663 -126.966 GPRESSURE: 56000 -79.114 27.145 -141.963 -9.93185 70.0691 38.1542 -200.933 -154.291 -120.296 PRESSAVG: 56000 -33.8337 -6.88291 -43.1187 -6.88283 51.1879 -26.5941 -43.1187 -26.594 -53.0517 GPRESSAVG: 56000 -33.5803 -6.33907 -40.3778 -7.94088 51.9167 -26.2506 -44.571 -27.2345 -54.127 TIMING: 56000 CPU: 162.772, 0.00288499/step Wall: 162.772, 0.00288499/step, 3.96205 hours remaining, 198.171875 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: 56000 763.3631 2066.5901 1955.9585 113.1025 -205731.2326 17714.9754 0.0000 0.0000 34169.9219 -148947.3212 298.4144 -183117.2432 -148854.8293 299.1839 -73.5956 -43.1137 558968.2351 -11.8992 -11.9302 PRESSURE: 56200 69.9755 -89.2969 -172.176 -89.297 229.037 -76.7008 -172.176 -76.7029 109.259 GPRESSURE: 56200 154.14 -130.145 -173.08 -63.9882 262.392 -87.131 -189.614 18.0625 99.1407 PRESSAVG: 56200 2.51063 7.73483 -40.4397 7.73481 14.2891 31.638 -40.4398 31.6379 -59.6539 GPRESSAVG: 56200 4.01962 7.37384 -40.9791 8.43516 13.7064 30.822 -41.4627 33.0829 -59.6774 TIMING: 56200 CPU: 163.348, 0.00288113/step Wall: 163.348, 0.00288113/step, 3.95659 hours remaining, 198.171875 MB of memory in use. ENERGY: 56200 732.8129 2059.6675 1960.9012 107.4228 -206238.2253 18105.6826 0.0000 0.0000 34353.8528 -148917.8856 300.0207 -183271.7383 -148822.2574 299.3473 136.0906 171.8909 558157.7127 -14.2847 -13.9838 LDB: ============= START OF LOAD BALANCING ============== 166.815 LDB: ============== END OF LOAD BALANCING =============== 166.815 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 166.817 LDB: ============= START OF LOAD BALANCING ============== 167.108 LDB: Largest compute 4827 load 0.029249 is 24.9% of average load 0.117261 LDB: Average compute 0.001730 is 1.5% of average load 0.117261 LDB: TIME 167.111 LOAD: AVG 0.117261 MAX 0.177947 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.359 MB LDB: TIME 167.111 LOAD: AVG 0.117261 MAX 0.177947 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.422 MB LDB: TIME 167.111 LOAD: AVG 0.117261 MAX 0.177947 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.422 MB LDB: ============== END OF LOAD BALANCING =============== 167.113 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 167.118 PRESSURE: 56400 130.255 89.6337 -68.9702 89.6353 -198.459 -188.664 -68.9711 -188.664 -162.025 GPRESSURE: 56400 159.496 183.582 -68.576 96.5921 -154.913 -105.77 -107.755 -239.277 -145.242 PRESSAVG: 56400 52.4307 21.998 -42.7993 21.998 26.2048 -25.2349 -42.7993 -25.2349 -74.697 GPRESSAVG: 56400 51.6514 22.3919 -43.4865 22.5198 25.6614 -26.1478 -40.9421 -25.8201 -73.3159 TIMING: 56400 CPU: 163.942, 0.00296911/step Wall: 163.942, 0.00296911/step, 4.07724 hours remaining, 197.585938 MB of memory in use. ENERGY: 56400 758.8100 2117.4774 1977.3552 102.2602 -206005.4591 17879.3525 0.0000 0.0000 34305.6104 -148864.5933 299.5994 -183170.2037 -148776.0857 299.9681 -76.7432 -46.8864 559462.0023 1.3128 1.3323 PRESSURE: 56600 -104.883 73.0082 -59.2068 73.0075 -100.14 81.041 -59.2055 81.0404 -100.724 GPRESSURE: 56600 -5.93551 43.685 126.021 100.584 -83.7739 115.862 -132.856 105.696 -104.693 PRESSAVG: 56600 15.9915 90.5749 4.2489 90.5748 12.9102 -78.1655 4.24885 -78.1656 -59.9254 GPRESSAVG: 56600 15.3541 88.7071 3.33262 89.2332 14.0662 -76.0026 5.95343 -79.6021 -60.3374 TIMING: 56600 CPU: 164.524, 0.00290785/step Wall: 164.524, 0.00290785/step, 3.99296 hours remaining, 197.789062 MB of memory in use. ENERGY: 56600 746.1333 2074.8952 1967.9690 115.5601 -205918.3300 17681.5215 0.0000 0.0000 34402.8734 -148929.3774 300.4489 -183332.2508 -148832.3381 299.8498 -101.9156 -64.8008 558478.4667 -10.3413 -10.3057 PRESSURE: 56800 68.9374 -72.9608 -26.9811 -72.9612 -286.716 -127.22 -26.981 -127.217 -328.734 GPRESSURE: 56800 61.9554 -104.241 -7.64844 9.84427 -236.26 -166.433 -31.0063 -123.406 -275.349 PRESSAVG: 56800 64.8061 49.8362 -20.1262 49.8361 -3.77954 -47.7463 -20.1263 -47.7463 -82.465 GPRESSAVG: 56800 65.9066 50.0259 -21.1892 49.8281 -4.79847 -47.6364 -20.608 -46.9651 -82.3098 TIMING: 56800 CPU: 165.105, 0.00290456/step Wall: 165.105, 0.00290456/step, 3.98829 hours remaining, 197.789062 MB of memory in use. ENERGY: 56800 764.0532 2094.1567 1984.5650 108.9782 -206009.3577 17700.6130 0.0000 0.0000 34390.1906 -148966.8010 300.3381 -183356.9916 -148871.6221 299.0235 -182.1708 -149.8844 559309.0288 -7.1462 -7.0672 PRESSURE: 57000 0.0942257 -16.8066 -170.436 -16.8059 -137.135 -48.0939 -170.435 -48.092 -135.71 GPRESSURE: 57000 -42.2131 -62.5426 -160.116 15.6662 -127.427 -204.92 -207.529 53.8912 -2.49247 PRESSAVG: 57000 -7.35017 -63.7485 22.0867 -63.7486 32.1812 -60.3311 22.0866 -60.3313 -5.98925 GPRESSAVG: 57000 -7.29508 -63.6786 25.6646 -63.6653 31.7135 -63.8169 18.4579 -59.7655 -5.23188 TIMING: 57000 CPU: 165.686, 0.00290512/step Wall: 165.686, 0.00290512/step, 3.9889 hours remaining, 197.789062 MB of memory in use. ENERGY: 57000 760.6680 2126.1060 1973.1328 119.9822 -205942.7292 17684.4711 0.0000 0.0000 34220.3968 -149057.9724 298.8552 -183278.3692 -148959.6985 299.2676 -90.9169 -57.3774 557461.6461 6.2806 6.3955 PRESSURE: 57200 88.7516 -124.679 -14.0019 -124.679 -68.8815 -94.8448 -14.0023 -94.8451 -220.112 GPRESSURE: 57200 126.761 -107.319 -12.1964 -46.2251 -35.2703 -155.376 -50.3529 -80.8137 -196.47 PRESSAVG: 57200 25.3655 -0.446562 -14.481 -0.44637 -26.8457 -101.982 -14.481 -101.982 -16.4552 GPRESSAVG: 57200 25.1146 -0.957099 -17.1008 2.23773 -25.1809 -99.8839 -12.7259 -102.948 -17.5432 TIMING: 57200 CPU: 166.266, 0.00290169/step Wall: 166.266, 0.00290169/step, 3.98402 hours remaining, 197.789062 MB of memory in use. ENERGY: 57200 746.7721 2057.4711 1996.4436 109.0545 -205943.9561 17675.3360 0.0000 0.0000 34387.3398 -148971.5390 300.3132 -183358.8788 -148878.9125 298.9632 -66.7473 -34.9930 557588.6710 -5.9785 -5.8698 PRESSURE: 57400 71.4567 -13.8891 17.4442 -13.8899 78.3079 -92.3904 17.4426 -92.3909 108.632 GPRESSURE: 57400 95.1251 -40.024 2.68218 -1.79418 84.1994 -37.4919 62.8962 -48.5258 176.816 PRESSAVG: 57400 -1.65084 74.3924 -41.2567 74.3924 40.6006 -78.3602 -41.2567 -78.3602 -68.7424 GPRESSAVG: 57400 -1.98381 73.7881 -39.3499 75.0148 41.1333 -79.7323 -41.1349 -78.2218 -68.854 TIMING: 57400 CPU: 166.844, 0.0028907/step Wall: 166.844, 0.0028907/step, 3.96877 hours remaining, 197.789062 MB of memory in use. ENERGY: 57400 758.5481 2098.7293 1971.5425 108.8685 -205933.0411 17731.8876 0.0000 0.0000 34372.5860 -148890.8790 300.1843 -183263.4650 -148803.4294 299.8633 86.1323 118.7137 556597.8552 -9.9309 -9.9015 PRESSURE: 57600 -29.0131 30.5609 -80.5057 30.5598 19.8483 -82.573 -80.5054 -82.5726 110.473 GPRESSURE: 57600 13.6578 16.468 -105.451 19.4465 88.4659 -184.655 -38.4171 -71.2584 97.308 PRESSAVG: 57600 22.3162 -1.15823 -30.939 -1.15814 -29.3146 -44.4668 -30.9391 -44.4669 64.6634 GPRESSAVG: 57600 22.4493 1.45949 -30.3802 -3.50429 -30.5065 -43.9034 -29.8567 -43.4463 65.0195 TIMING: 57600 CPU: 167.424, 0.00289645/step Wall: 167.424, 0.00289645/step, 3.97651 hours remaining, 197.789062 MB of memory in use. ENERGY: 57600 729.8948 2131.3335 1962.8697 118.4262 -205646.3076 17587.2851 0.0000 0.0000 34428.0490 -148688.4494 300.6687 -183116.4984 -148589.5199 300.0912 33.7695 66.4772 557121.6848 19.2216 18.9874 PRESSURE: 57800 -60.152 8.02679 -28.8385 8.02576 -14.1121 -24.9276 -28.8391 -24.929 -51.5435 GPRESSURE: 57800 -30.3179 98.8073 -1.68276 13.424 -30.3352 -92.7501 -55.6826 62.5011 34.7737 PRESSAVG: 57800 -0.669483 -60.2386 -0.671058 -60.2386 26.9184 -10.1739 -0.671113 -10.1739 -13.0988 GPRESSAVG: 57800 0.634978 -60.8002 -0.416284 -59.8209 26.9203 -10.8472 -2.71605 -10.6652 -14.4367 TIMING: 57800 CPU: 168.003, 0.002895/step Wall: 168.003, 0.002895/step, 3.97435 hours remaining, 197.789062 MB of memory in use. ENERGY: 57800 719.4546 2108.6404 1972.5560 110.7147 -205726.3641 17679.2804 0.0000 0.0000 34269.1807 -148866.5373 299.2813 -183135.7180 -148773.7559 300.2019 -41.9359 -8.6265 557671.2903 4.3834 4.3729 PRESSURE: 58000 -121.643 -99.9035 -142.384 -99.9033 31.5502 90.5169 -142.383 90.5165 206.964 GPRESSURE: 58000 -73.2655 -112.608 -159.9 -98.1283 58.8185 80.9494 -145.695 63.6442 214.58 PRESSAVG: 58000 -4.02552 -2.48889 14.1181 -2.48896 3.60627 -50.7159 14.1181 -50.716 -0.209383 GPRESSAVG: 58000 -4.30644 -2.11719 13.5225 -2.65036 2.09944 -47.7644 16.1576 -51.7366 1.32991 TIMING: 58000 CPU: 168.579, 0.00288175/step Wall: 168.579, 0.00288175/step, 3.95601 hours remaining, 197.789062 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: 58000 776.4525 2045.8593 1972.5366 100.3437 -206026.7922 17784.6671 0.0000 0.0000 34460.9822 -148885.9508 300.9563 -183346.9330 -148786.9187 299.7141 38.9569 66.7109 557635.5818 -0.2095 -0.2924 PRESSURE: 58200 -54.6027 219.171 -172.031 219.171 -124.386 56.6584 -172.031 56.659 -85.4433 GPRESSURE: 58200 -7.97501 239.692 -161.259 220.386 -88.3516 56.8282 -157.743 103.665 -58.4109 PRESSAVG: 58200 -20.5813 -5.56266 -19.7239 -5.56273 30.2458 5.32837 -19.724 5.32835 -6.82187 GPRESSAVG: 58200 -20.243 -8.72588 -18.9573 -5.89314 30.9358 4.25698 -22.2009 5.38663 -7.79464 TIMING: 58200 CPU: 169.158, 0.00289529/step Wall: 169.158, 0.00289529/step, 3.97443 hours remaining, 197.789062 MB of memory in use. ENERGY: 58200 738.6062 2067.2163 1977.1176 127.1781 -205687.6686 17584.4132 0.0000 0.0000 34272.6578 -148920.4794 299.3116 -183193.1371 -148823.3553 299.6417 -88.1441 -51.5792 558695.4117 0.9476 0.9661 PRESSURE: 58400 132.092 112.911 -97.128 112.911 -98.0369 27.1989 -97.1279 27.1983 -75.3691 GPRESSURE: 58400 172.653 90.4078 -117.282 115.047 -38.3702 0.244251 -68.0755 34.4935 -68.2971 PRESSAVG: 58400 -28.6882 24.0327 -25.58 24.0328 33.6566 -59.6475 -25.58 -59.6476 14.3077 GPRESSAVG: 58400 -29.8589 24.1328 -27.6366 24.0693 34.6314 -62.8927 -23.5756 -57.3785 14.8258 TIMING: 58400 CPU: 169.736, 0.00289242/step Wall: 169.736, 0.00289242/step, 3.97033 hours remaining, 197.789062 MB of memory in use. ENERGY: 58400 757.9905 2075.4930 1979.9732 119.2556 -205738.0438 17646.8675 0.0000 0.0000 34308.4531 -148850.0109 299.6243 -183158.4640 -148760.4288 299.5099 -13.7714 21.9952 557654.0588 6.4254 6.5328 PRESSURE: 58600 -136.304 -81.7119 -120.246 -81.7111 -231.63 30.5944 -120.248 30.5945 -374.311 GPRESSURE: 58600 -140.194 -143.766 -90.1189 -49.1767 -191.682 26.8009 -103.327 66.1668 -304.985 PRESSAVG: 58600 55.1262 -25.3011 -26.8777 -25.301 -42.7302 -4.49473 -26.8777 -4.49472 6.84681 GPRESSAVG: 58600 55.6531 -24.8872 -24.7353 -24.814 -44.3579 -1.94944 -26.5186 -5.74995 8.01387 TIMING: 58600 CPU: 170.32, 0.00291874/step Wall: 170.32, 0.00291874/step, 4.0063 hours remaining, 197.789062 MB of memory in use. ENERGY: 58600 782.6139 2027.9640 1960.6251 119.8087 -205381.5669 17508.6312 0.0000 0.0000 34092.8818 -148889.0422 297.7416 -182981.9239 -148794.3724 299.7816 -247.4151 -212.2872 559282.5672 6.4143 6.4364 PRESSURE: 58800 -51.6821 -84.7167 90.9387 -84.7178 44.2811 56.4244 90.9401 56.4253 -64.2962 GPRESSURE: 58800 -22.6894 -107.332 55.1007 -171.953 63.1995 9.59808 154.792 -17.5764 -23.5446 PRESSAVG: 58800 55.7711 72.826 -28.0335 72.826 -37.5269 27.1842 -28.0334 27.1842 -65.2432 GPRESSAVG: 58800 55.748 75.4637 -29.2586 71.7271 -36.9592 28.9531 -27.3077 24.4462 -65.8561 TIMING: 58800 CPU: 170.897, 0.0028822/step Wall: 170.897, 0.0028822/step, 3.95598 hours remaining, 197.789062 MB of memory in use. ENERGY: 58800 736.4843 2039.8063 1966.4898 103.3859 -205502.4526 17608.0102 0.0000 0.0000 34074.5266 -148973.7496 297.5813 -183048.2761 -148878.8540 299.1466 -23.8991 5.6552 557787.2944 -15.6663 -15.6891 PRESSURE: 59000 157.595 86.3664 70.064 86.3665 67.0179 67.5509 70.0654 67.5522 172.74 GPRESSURE: 59000 234.798 46.4687 118.671 150.119 54.5582 -2.22469 87.4133 144.3 219.338 PRESSAVG: 59000 35.7561 13.0439 15.0432 13.0437 -39.9404 -5.66429 15.0431 -5.66427 27.2615 GPRESSAVG: 59000 36.0108 11.36 16.4588 13.8297 -39.69 -7.32476 13.6933 -2.26538 27.2943 TIMING: 59000 CPU: 171.472, 0.00287451/step Wall: 171.472, 0.00287451/step, 3.94527 hours remaining, 197.789062 MB of memory in use. ENERGY: 59000 727.9871 2076.4037 1979.9050 105.9428 -205739.3303 17845.1473 0.0000 0.0000 34170.3196 -148833.6248 298.4179 -183003.9444 -148738.2995 299.4832 132.4509 169.5648 558027.4971 7.6924 7.8717 PRESSURE: 59200 -119.928 33.5125 44.2947 33.5116 210.176 49.6819 44.2961 49.681 -79.7669 GPRESSURE: 59200 -115.225 83.0606 23.4847 58.4234 195.212 82.3749 20.699 21.1484 29.6105 PRESSAVG: 59200 9.44366 -26.0585 -11.5143 -26.0586 -49.8733 22.6002 -11.5143 22.6001 35.8624 GPRESSAVG: 59200 9.50606 -24.9638 -11.9692 -24.81 -49.9795 21.8065 -11.3952 21.489 36.1697 TIMING: 59200 CPU: 172.046, 0.0028741/step Wall: 172.046, 0.0028741/step, 3.94455 hours remaining, 197.789062 MB of memory in use. ENERGY: 59200 718.3046 2053.9715 1961.9368 102.5529 -206067.6530 17911.3185 0.0000 0.0000 34318.1845 -149001.3842 299.7092 -183319.5687 -148904.2099 299.4562 3.4939 36.5323 558184.9929 -1.5224 -1.4346 PRESSURE: 59400 -105.986 82.6028 -44.217 82.6033 -158.537 60.842 -44.2174 60.8423 3.45021 GPRESSURE: 59400 -96.587 89.2234 -101.93 113.222 -117.908 77.8924 -1.16542 -56.3721 47.445 PRESSAVG: 59400 63.7843 50.4667 25.5519 50.4667 -17.7458 -1.45351 25.5519 -1.45355 -11.5729 GPRESSAVG: 59400 62.9816 47.9602 24.9951 50.7148 -17.3757 -0.291876 25.6382 -2.88346 -11.0375 TIMING: 59400 CPU: 172.624, 0.00289061/step Wall: 172.624, 0.00289061/step, 3.96704 hours remaining, 197.789062 MB of memory in use. ENERGY: 59400 738.2350 2055.8418 1978.9129 112.4870 -206028.3210 17704.3598 0.0000 0.0000 34262.4176 -149176.0668 299.2222 -183438.4844 -149087.1597 299.0769 -87.0242 -55.6832 557524.0351 11.4885 11.5228 PRESSURE: 59600 -123.572 103.028 71.7088 103.028 -72.5644 -28.6232 71.708 -28.6213 -295.305 GPRESSURE: 59600 -95.4769 200.043 12.2399 101.671 -80.4358 -19.2767 90.7621 -76.171 -219.124 PRESSAVG: 59600 -54.4837 12.3735 3.56771 12.3734 48.5844 6.64333 3.56769 6.64348 23.8829 GPRESSAVG: 59600 -54.7469 14.6695 3.98262 11.7359 48.4038 5.80004 4.14155 6.55998 24.3176 TIMING: 59600 CPU: 173.208, 0.00291926/step Wall: 173.208, 0.00291926/step, 4.0062 hours remaining, 197.789062 MB of memory in use. ENERGY: 59600 762.6960 2053.1928 1978.9692 99.8912 -206062.2613 17647.1609 0.0000 0.0000 34327.3069 -149193.0443 299.7889 -183520.3512 -149093.6107 298.6101 -163.8138 -131.6789 557296.6633 5.9945 5.9915 PRESSURE: 59800 57.3136 -23.6948 61.8235 -23.6947 -83.4568 -137.618 61.8223 -137.618 120.418 GPRESSURE: 59800 66.6176 -7.81978 120.14 -87.024 -21.4293 -126.824 80.7238 -114.077 154.944 PRESSAVG: 59800 -28.2834 -42.0068 11.202 -42.0068 20.9111 63.9083 11.2021 63.9082 -1.68471 GPRESSAVG: 59800 -27.6346 -41.9126 10.3269 -42.248 19.9761 65.8731 11.8476 64.8844 -1.24492 TIMING: 59800 CPU: 173.79, 0.00290645/step Wall: 173.79, 0.00290645/step, 3.98846 hours remaining, 197.789062 MB of memory in use. ENERGY: 59800 719.2720 2052.8843 1948.6988 106.3395 -206060.6800 17832.5153 0.0000 0.0000 33977.2211 -149423.7492 296.7315 -183400.9703 -149336.7392 297.5551 31.4250 66.7107 558136.7538 -3.0190 -2.9678 PRESSURE: 60000 237.143 -27.9221 -84.371 -27.9192 321.26 72.2629 -84.3707 72.261 42.4526 GPRESSURE: 60000 265.918 -75.6132 -24.0658 12.4699 399.32 72.8725 -79.8145 72.9212 42.4772 PRESSAVG: 60000 16.5643 23.9112 -13.5953 23.9112 7.84184 33.9152 -13.5952 33.9151 11.9083 GPRESSAVG: 60000 16.201 24.7804 -13.9401 22.1511 8.43347 32.9928 -13.3495 32.5324 11.3952 TIMING: 60000 CPU: 174.382, 0.00296166/step Wall: 174.382, 0.00296166/step, 4.06406 hours remaining, 197.789062 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: 60000 733.2707 2087.2432 1967.0588 107.1347 -206665.9171 18294.5518 0.0000 0.0000 34220.7132 -149255.9448 298.8580 -183476.6579 -149171.1233 298.8436 200.2854 235.9050 557408.2089 12.1048 12.0099 PRESSURE: 60200 45.7541 -31.7467 -142.495 -31.7457 -372.998 -18.0795 -142.495 -18.0807 -127.117 GPRESSURE: 60200 41.5092 -6.57463 -80.7978 -80.923 -329.035 -94.1316 -217.625 -25.4109 -55.869 PRESSAVG: 60200 21.5331 1.33058 13.8563 1.33051 -39.0195 5.99112 13.8563 5.99117 24.6829 GPRESSAVG: 60200 22.4795 1.84316 13.9695 2.57929 -40.785 5.94056 12.8608 7.73954 26.0052 TIMING: 60200 CPU: 174.965, 0.00291611/step Wall: 174.965, 0.00291611/step, 4.00139 hours remaining, 197.789062 MB of memory in use. ENERGY: 60200 747.6116 2063.4776 1958.8504 109.1284 -206298.4744 17727.0961 0.0000 0.0000 34336.7181 -149355.5923 299.8711 -183692.3104 -149261.2836 299.3145 -151.4538 -114.4650 558097.7355 2.3989 2.5666 LDB: ============= START OF LOAD BALANCING ============== 178.431 LDB: ============== END OF LOAD BALANCING =============== 178.431 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 178.433 LDB: ============= START OF LOAD BALANCING ============== 178.722 LDB: Largest compute 4827 load 0.029617 is 25.3% of average load 0.117232 LDB: Average compute 0.001734 is 1.5% of average load 0.117232 LDB: TIME 178.724 LOAD: AVG 0.117232 MAX 0.176023 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.613 MB LDB: TIME 178.724 LOAD: AVG 0.117232 MAX 0.176023 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.816 MB LDB: TIME 178.724 LOAD: AVG 0.117232 MAX 0.176023 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 178.726 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 178.73 PRESSURE: 60400 -41.6732 -133.531 -27.5077 -133.53 170.866 -137.854 -27.5061 -137.854 322.473 GPRESSURE: 60400 26.8455 -98.5787 -51.0805 -233.732 210.885 -130.325 70.9684 -184.363 318.704 PRESSAVG: 60400 -52.3016 8.7877 38.14 8.7876 10.7007 -19.7222 38.1401 -19.7222 85.7505 GPRESSAVG: 60400 -51.9767 7.89098 39.2667 7.76031 11.9615 -18.7911 38.2019 -21.7552 84.7785 TIMING: 60400 CPU: 175.555, 0.00294902/step Wall: 175.555, 0.00294902/step, 4.04639 hours remaining, 197.839844 MB of memory in use. ENERGY: 60400 763.6106 2103.1786 1952.6092 104.9175 -206835.2823 18300.0342 0.0000 0.0000 34080.0424 -149530.8897 297.6295 -183610.9321 -149437.8030 298.4549 150.5553 185.4781 555818.6792 14.7165 14.9211 PRESSURE: 60600 191.136 -167.387 -11.8758 -167.386 -181.561 -32.7481 -11.8767 -32.7489 51.0875 GPRESSURE: 60600 243.668 -189.559 25.8107 -204.935 -169.556 28.6935 -7.34986 -57.9392 64.5023 PRESSAVG: 60600 -6.89026 -30.3524 -1.00765 -30.3525 -32.0158 -5.94142 -1.00766 -5.94146 89.1649 GPRESSAVG: 60600 -5.91842 -30.6253 -2.51791 -29.7578 -32.0492 -6.39862 -0.556928 -2.4134 88.4414 TIMING: 60600 CPU: 176.132, 0.00288679/step Wall: 176.132, 0.00288679/step, 3.96084 hours remaining, 198.042969 MB of memory in use. ENERGY: 60600 716.4320 2115.8827 1958.8877 117.0061 -206401.0904 17771.3214 0.0000 0.0000 34094.3418 -149627.2188 297.7544 -183721.5606 -149539.0701 297.4415 20.2209 46.2048 557934.1749 16.7529 16.8246 PRESSURE: 60800 -224.243 63.5224 14.3078 63.522 -28.215 -41.2759 14.3068 -41.2769 -195.168 GPRESSURE: 60800 -106.661 77.1494 17.2297 53.2978 -26.9031 -94.9374 -21.1786 66.4609 -213.912 PRESSAVG: 60800 15.4196 -2.18501 15.0423 -2.18504 -15.1734 -18.9641 15.0422 -18.9641 -25.7171 GPRESSAVG: 60800 14.7911 -1.77764 14.7557 -2.6827 -15.1634 -18.8863 14.6162 -20.2822 -24.4566 TIMING: 60800 CPU: 176.706, 0.00286825/step Wall: 176.706, 0.00286825/step, 3.93524 hours remaining, 198.042969 MB of memory in use. ENERGY: 60800 737.4949 2119.1572 1980.5371 100.1437 -206306.4735 17752.5948 0.0000 0.0000 33909.3988 -149707.1470 296.1392 -183616.5457 -149605.7098 297.6600 -149.2086 -115.8254 559067.4117 -8.4903 -8.2763 PRESSURE: 61000 -194.272 -258.596 -79.5148 -258.596 88.0282 -119.242 -79.5161 -119.243 51.8583 GPRESSURE: 61000 -142.771 -242.219 -68.1155 -199.522 92.2946 -116.186 -108.455 -113.962 95.1052 PRESSAVG: 61000 43.8555 -16.6694 -7.22592 -16.6696 -101.679 -21.3816 -7.22598 -21.3816 37.1077 GPRESSAVG: 61000 44.8668 -17.4513 -6.23991 -15.4257 -102.207 -22.5213 -6.22891 -22.4126 36.6399 TIMING: 61000 CPU: 177.289, 0.0029148/step Wall: 177.289, 0.0029148/step, 3.99895 hours remaining, 198.042969 MB of memory in use. ENERGY: 61000 751.9361 2060.6609 1955.5034 112.8328 -206702.9564 18138.9727 0.0000 0.0000 34059.3117 -149623.7387 297.4484 -183683.0504 -149532.0375 298.2604 -18.1285 14.8762 558208.8503 -6.9054 -6.9000 PRESSURE: 61200 -71.9966 -78.5455 -14.7995 -78.5449 -318.539 -26.1794 -14.7992 -26.181 -167.707 GPRESSURE: 61200 -63.4096 -78.0058 63.909 -70.7095 -299.234 80.3862 -75.2272 -112.421 -88.1726 PRESSAVG: 61200 -2.72476 -42.3195 -16.4402 -42.3195 -57.6715 10.4047 -16.4402 10.4046 84.19 GPRESSAVG: 61200 -4.24889 -42.5082 -15.4554 -42.9356 -55.6058 10.9975 -17.9369 10.9392 83.2844 TIMING: 61200 CPU: 177.868, 0.00289579/step Wall: 177.868, 0.00289579/step, 3.9727 hours remaining, 198.042969 MB of memory in use. ENERGY: 61200 777.5595 2102.4270 1948.7510 110.6685 -206215.6808 17641.7203 0.0000 0.0000 34052.3148 -149582.2398 297.3873 -183634.5546 -149488.3173 297.9227 -186.0810 -150.2721 557407.3024 7.9313 7.8099 PRESSURE: 61400 180.377 127.276 1.72684 127.275 64.621 130.664 1.726 130.666 144.384 GPRESSURE: 61400 163.32 108.501 34.6063 64.394 148.152 130.324 -24.8117 144.743 170.618 PRESSAVG: 61400 31.9705 27.2932 7.55171 27.2932 -74.7393 2.95541 7.55163 2.95544 44.2654 GPRESSAVG: 61400 31.8801 29.5978 4.50955 27.758 -76.0588 3.02893 10.4897 1.36809 45.5662 TIMING: 61400 CPU: 178.444, 0.00288091/step Wall: 178.444, 0.00288091/step, 3.95212 hours remaining, 198.042969 MB of memory in use. ENERGY: 61400 731.4149 2097.2881 1977.8793 125.1060 -206955.7475 18261.7170 0.0000 0.0000 34204.3461 -149557.9960 298.7151 -183762.3422 -149460.4743 297.8536 129.7940 160.6967 557710.7268 0.4989 0.4625 PRESSURE: 61600 -161.867 -80.5966 32.0851 -80.5964 49.4254 105.571 32.0856 105.57 -8.53499 GPRESSURE: 61600 -133.112 -24.6258 55.6889 -40.3214 28.4398 141.229 23.6846 195.527 91.3044 PRESSAVG: 61600 -54.4161 15.0016 -30.8055 15.0018 -39.004 39.1885 -30.8055 39.1883 74.4527 GPRESSAVG: 61600 -53.7908 14.3734 -28.3186 15.6813 -39.1828 40.8829 -31.0553 39.9762 74.4683 TIMING: 61600 CPU: 179.023, 0.00289348/step Wall: 179.023, 0.00289348/step, 3.96922 hours remaining, 198.042969 MB of memory in use. ENERGY: 61600 770.0593 2125.1600 1986.5566 105.7798 -206433.8613 17822.0124 0.0000 0.0000 34082.7790 -149541.5141 297.6534 -183624.2931 -149438.3325 298.0771 -40.3254 -4.4561 558280.7781 -6.3225 -6.1684 PRESSURE: 61800 -50.0764 -108.871 80.4682 -108.869 20.2106 201.263 80.4699 201.263 -214.015 GPRESSURE: 61800 16.7908 -111.778 101.755 -62.5557 19.105 152.716 38.2704 143.565 -189.953 PRESSAVG: 61800 76.5632 14.3606 -41.9135 14.3606 -19.6994 31.7137 -41.9135 31.7137 -27.9377 GPRESSAVG: 61800 76.7799 13.6915 -42.9311 11.787 -19.7913 29.142 -42.702 31.2789 -28.2401 TIMING: 61800 CPU: 179.607, 0.00291794/step Wall: 179.607, 0.00291794/step, 4.0026 hours remaining, 198.042969 MB of memory in use. ENERGY: 61800 766.0095 2138.0137 1943.7981 96.2626 -206200.3704 17737.8419 0.0000 0.0000 34010.3331 -149508.1115 297.0207 -183518.4446 -149413.0750 297.6456 -81.2937 -51.3523 558776.1731 9.6420 9.5828 PRESSURE: 62000 -148.641 81.3772 76.8552 81.3784 182.965 119.383 76.8556 119.383 119.393 GPRESSURE: 62000 -93.2508 43.503 135.238 -9.9551 214.931 100.299 3.15767 154.087 135.109 PRESSAVG: 62000 -4.97833 -20.5594 -65.6085 -20.5593 -24.0715 22.0266 -65.6085 22.0266 17.487 GPRESSAVG: 62000 -5.33957 -21.6372 -65.2572 -18.0978 -24.4474 20.7251 -64.5315 25.5861 17.4791 TIMING: 62000 CPU: 180.188, 0.00290839/step Wall: 180.188, 0.00290839/step, 3.98934 hours remaining, 198.042969 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: 62000 726.6172 2117.5700 1961.7066 121.8890 -206494.0030 17886.7054 0.0000 0.0000 34196.3732 -149483.1416 298.6454 -183679.5148 -149392.2718 298.2848 51.2391 85.5964 556982.9277 -3.8543 -4.1026 PRESSURE: 62200 144.667 27.1381 -57.7695 27.1379 235.092 84.4137 -57.7694 84.4134 263.781 GPRESSURE: 62200 166.996 -102.975 -55.1307 43.2098 256.701 101.625 -100.18 35.2095 321.95 PRESSAVG: 62200 -15.1325 15.3465 -21.3402 15.3466 -3.15327 -15.2692 -21.3402 -15.2691 50.1622 GPRESSAVG: 62200 -14.7696 14.9467 -20.1214 13.7779 -2.72757 -13.6234 -22.2817 -16.5758 49.2333 TIMING: 62200 CPU: 180.768, 0.00289893/step Wall: 180.768, 0.00289893/step, 3.97621 hours remaining, 198.042969 MB of memory in use. ENERGY: 62200 793.5779 2137.2573 1973.2968 108.8451 -206873.0221 18281.8183 0.0000 0.0000 34128.8268 -149449.4000 298.0555 -183578.2268 -149353.1480 298.2151 214.5135 248.5489 557346.2418 10.6255 10.5787 PRESSURE: 62400 198.672 7.35301 -187.941 7.35317 -101.892 -131.46 -187.94 -131.46 -141.076 GPRESSURE: 62400 194.604 54.3918 -124.338 54.044 -19.3061 -121.93 -149.925 -134.109 -119.627 PRESSAVG: 62400 70.1137 -20.6494 -6.1695 -20.6495 -91.5011 31.8764 -6.1695 31.8766 -4.04572 GPRESSAVG: 62400 70.2935 -18.9035 -5.74109 -21.4255 -91.5992 32.674 -5.97701 30.4299 -4.48287 TIMING: 62400 CPU: 181.351, 0.00291577/step Wall: 181.351, 0.00291577/step, 3.99914 hours remaining, 198.042969 MB of memory in use. ENERGY: 62400 787.8353 2100.4810 1950.0037 114.3423 -206590.2908 18118.4937 0.0000 0.0000 34210.6685 -149308.4663 298.7703 -183519.1348 -149211.5014 298.8611 -14.7651 18.5571 557079.4548 -8.4777 -8.5962 PRESSURE: 62600 394.296 -4.95585 27.3285 -4.954 187.998 -203.76 27.3289 -203.76 -0.112938 GPRESSURE: 62600 367.831 8.73641 30.7607 -48.0804 240.854 -120.215 3.93846 -229.169 85.7554 PRESSAVG: 62600 59.4139 -21.0021 4.01851 -21.002 15.9972 -36.4539 4.01845 -36.4538 -46.0814 GPRESSAVG: 62600 59.2438 -20.3438 3.5024 -19.4984 16.2919 -37.6891 4.03663 -35.6136 -46.3981 TIMING: 62600 CPU: 181.943, 0.00296049/step Wall: 181.943, 0.00296049/step, 4.06031 hours remaining, 198.042969 MB of memory in use. ENERGY: 62600 778.0683 2123.8398 1951.3866 122.1504 -206754.7977 18347.7351 0.0000 0.0000 34025.1704 -149406.4472 297.1503 -183431.6176 -149305.4907 298.4192 194.0604 231.4800 557691.9970 9.7766 9.7125 PRESSURE: 62800 21.6087 -70.9128 41.484 -70.9136 -332.237 -63.2648 41.4832 -63.2655 -140.511 GPRESSURE: 62800 39.222 -82.7553 51.3166 -24.7124 -265.707 -60.7731 67.7771 -22.7197 -125.958 PRESSAVG: 62800 56.8499 -3.61569 17.3322 -3.61573 -3.79498 -60.3556 17.3323 -60.3558 -53.7536 GPRESSAVG: 62800 55.4025 -6.54244 16.3686 -2.37913 -3.49814 -58.2182 16.983 -60.8009 -52.4256 TIMING: 62800 CPU: 182.527, 0.00291942/step Wall: 182.527, 0.00291942/step, 4.00382 hours remaining, 198.042969 MB of memory in use. ENERGY: 62800 713.9493 2057.0480 1987.0023 121.7827 -206112.0449 17488.6920 0.0000 0.0000 34272.2545 -149471.3161 299.3081 -183743.5706 -149379.3295 298.5982 -150.3799 -117.4810 557069.7874 -0.2329 -0.1738 PRESSURE: 63000 123.213 -106.081 -39.7744 -106.079 79.2472 -40.8975 -39.7753 -40.897 107.098 GPRESSURE: 63000 200.66 7.46998 -25.4157 -171.923 111.239 -59.5896 3.53503 -9.7496 87.6738 PRESSAVG: 63000 88.331 -44.0938 6.95834 -44.0938 -19.5311 -16.3706 6.95846 -16.3706 -41.2129 GPRESSAVG: 63000 89.1395 -43.3194 7.9883 -46.4693 -20.2164 -16.4368 8.48717 -16.0636 -40.9522 TIMING: 63000 CPU: 183.107, 0.00290132/step Wall: 183.107, 0.00290132/step, 3.97884 hours remaining, 198.042969 MB of memory in use. ENERGY: 63000 746.7073 2118.3555 1966.6009 115.8804 -206744.7745 18013.3535 0.0000 0.0000 34336.4390 -149447.4379 299.8687 -183783.8769 -149355.7295 298.5821 103.1861 133.1909 555710.7782 9.1957 9.3236 PRESSURE: 63200 79.0191 -154.729 -57.2423 -154.727 262.738 -115.288 -57.2421 -115.287 411.609 GPRESSURE: 63200 126.23 -151.624 -73.0666 -108.525 311.321 -184.268 -36.5242 -129.428 410.249 PRESSAVG: 63200 -15.7246 18.9834 -25.0449 18.9834 -33.6392 6.48342 -25.0449 6.48359 89.9535 GPRESSAVG: 63200 -17.035 19.0128 -25.5648 22.3399 -32.8435 3.24195 -23.67 6.57378 90.3294 TIMING: 63200 CPU: 183.688, 0.00290331/step Wall: 183.688, 0.00290331/step, 3.9814 hours remaining, 198.042969 MB of memory in use. ENERGY: 63200 752.3229 2151.6599 1952.5115 103.7520 -206997.0287 18387.7681 0.0000 0.0000 34213.2004 -149435.8141 298.7924 -183649.0144 -149337.1675 298.7570 251.1217 282.5998 556342.7778 13.5299 13.4836 PRESSURE: 63400 249.792 -89.7157 -109.842 -89.7171 77.911 62.67 -109.842 62.6708 189.199 GPRESSURE: 63400 273.771 -65.471 -117.997 -38.4032 113.843 -14.834 -77.4243 180.262 225.709 PRESSAVG: 63400 12.5327 -14.7695 2.44466 -14.7694 -0.2143 -37.6438 2.44453 -37.6437 -48.5849 GPRESSAVG: 63400 13.8369 -12.8522 3.90796 -18.0382 -0.971268 -35.6845 1.42566 -38.7874 -48.1445 TIMING: 63400 CPU: 184.277, 0.00294291/step Wall: 184.277, 0.00294291/step, 4.03555 hours remaining, 198.042969 MB of memory in use. ENERGY: 63400 720.2453 2146.9660 1965.9013 116.5619 -206404.2531 18065.1405 0.0000 0.0000 34212.3032 -149177.1349 298.7846 -183389.4381 -149083.9690 299.4076 172.3006 204.4409 556573.9078 -12.0888 -11.7596 PRESSURE: 63600 -82.1201 200.768 120.866 200.767 220.506 -48.6376 120.867 -48.6359 83.9289 GPRESSURE: 63600 -24.1994 255.299 113.609 174.66 193.259 -35.8643 86.739 -59.4532 147.542 PRESSAVG: 63600 41.0991 -31.5041 -20.8931 -31.5041 30.3396 37.9456 -20.893 37.9454 -69.4443 GPRESSAVG: 63600 40.7331 -31.3116 -20.2935 -32.0405 31.3786 37.4881 -22.3464 38.1982 -70.5864 TIMING: 63600 CPU: 184.868, 0.00295529/step Wall: 184.868, 0.00295529/step, 4.05236 hours remaining, 198.042969 MB of memory in use. ENERGY: 63600 752.1442 2132.9952 1952.4749 117.2553 -206357.4760 17873.8628 0.0000 0.0000 34469.4839 -149059.2598 301.0306 -183528.7436 -148955.9052 300.2026 74.1050 105.5336 556626.0696 0.6648 0.5084 PRESSURE: 63800 78.8381 -11.3795 -122.743 -11.38 53.3116 -80.9545 -122.742 -80.9539 125.164 GPRESSURE: 63800 113.872 -43.854 -132.816 7.10751 120.387 -148.625 -86.9442 -66.2039 116.734 PRESSAVG: 63800 41.3205 17.78 41.1369 17.7799 -5.05859 -15.2049 41.1369 -15.205 -49.3275 GPRESSAVG: 63800 41.4046 17.355 36.9979 18.0977 -5.52509 -16.4987 42.4573 -15.0771 -48.9596 TIMING: 63800 CPU: 185.448, 0.00290368/step Wall: 185.448, 0.00290368/step, 3.98144 hours remaining, 198.042969 MB of memory in use. ENERGY: 63800 767.3372 2146.4730 1959.5787 115.2338 -206081.8241 17841.6165 0.0000 0.0000 34218.4549 -149033.1299 298.8383 -183251.5848 -148935.5212 299.8009 85.7714 116.9976 557162.1211 -4.3552 -4.3600 PRESSURE: 64000 -20.2783 39.9085 65.6399 39.9072 -260.201 131.046 65.6382 131.046 -95.5698 GPRESSURE: 64000 40.348 55.8856 60.2013 50.751 -221.669 44.9476 99.2169 150.504 -93.2208 PRESSAVG: 64000 -20.6378 29.4077 8.2824 29.4077 9.27168 8.26596 8.2824 8.26602 23.3261 GPRESSAVG: 64000 -21.2128 28.8305 11.8158 30.4297 9.36793 9.06687 6.75362 9.56847 23.7875 TIMING: 64000 CPU: 186.029, 0.0029049/step Wall: 186.029, 0.0029049/step, 3.98294 hours remaining, 198.042969 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: 64000 770.6449 2134.3851 1967.8912 93.6753 -205821.4339 17474.7269 0.0000 0.0000 34324.1460 -149055.9644 299.7613 -183380.1104 -148960.0005 299.2455 -125.3498 -91.5140 556341.0104 3.9867 3.9809 PRESSURE: 64200 34.6253 -8.11976 -46.7552 -8.11983 -66.44 -63.1067 -46.7549 -63.1071 -99.1113 GPRESSURE: 64200 64.8065 -28.4544 -37.7138 -28.2571 -20.7528 -113.58 -83.147 -3.94286 -86.9658 PRESSAVG: 64200 51.6981 -7.39022 -58.8707 -7.39023 -115.604 7.94658 -58.8708 7.94655 -12.3712 GPRESSAVG: 64200 51.9476 -6.66985 -58.4981 -6.65438 -115.287 8.31879 -59.3543 9.49495 -12.9774 TIMING: 64200 CPU: 186.617, 0.00293699/step Wall: 186.617, 0.00293699/step, 4.02677 hours remaining, 198.042969 MB of memory in use. ENERGY: 64200 778.7361 2107.6965 1954.1611 114.6991 -206120.9564 17740.0007 0.0000 0.0000 34392.5925 -149033.0704 300.3591 -183425.6629 -148938.0151 299.5656 -43.6420 -14.3040 556549.6350 -25.4255 -25.4390 LDB: ============= START OF LOAD BALANCING ============== 190.081 LDB: ============== END OF LOAD BALANCING =============== 190.081 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 190.082 LDB: ============= START OF LOAD BALANCING ============== 190.373 LDB: Largest compute 4827 load 0.028449 is 24.2% of average load 0.117323 LDB: Average compute 0.001733 is 1.5% of average load 0.117323 LDB: TIME 190.376 LOAD: AVG 0.117323 MAX 0.176223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.609 MB LDB: TIME 190.376 LOAD: AVG 0.117323 MAX 0.176223 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.645 MB LDB: TIME 190.376 LOAD: AVG 0.117323 MAX 0.176223 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 190.378 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 190.382 PRESSURE: 64400 -98.1227 37.4631 -62.5797 37.4645 -185.153 -57.6446 -62.5785 -57.6443 -178.322 GPRESSURE: 64400 -116.694 51.3697 -140.916 -5.84166 -149.612 8.56335 -66.5871 -26.3039 -91.0635 PRESSAVG: 64400 16.1904 -18.4319 -3.90249 -18.432 -45.9163 16.2145 -3.90243 16.2145 1.03975 GPRESSAVG: 64400 15.3909 -18.3237 -5.13833 -20.1109 -45.9316 16.4328 -2.58423 13.7237 1.72494 TIMING: 64400 CPU: 187.207, 0.00294896/step Wall: 187.207, 0.00294896/step, 4.04302 hours remaining, 196.757812 MB of memory in use. ENERGY: 64400 774.9717 2125.1962 1951.2654 107.4751 -205805.6812 17497.2831 0.0000 0.0000 34325.0100 -149024.4797 299.7688 -183349.4898 -148930.5818 299.3158 -153.8661 -119.1232 556457.2298 -9.5620 -9.6053 PRESSURE: 64600 -101.775 52.0792 18.4067 52.0799 125.172 -61.801 18.4063 -61.8018 -46.9795 GPRESSURE: 64600 -86.0876 73.4027 20.9728 5.38244 207.567 -33.5466 14.9282 -34.7935 -44.6956 PRESSAVG: 64600 16.5771 6.49938 5.1027 6.49943 105.312 -9.31909 5.10279 -9.31911 -84.5299 GPRESSAVG: 64600 17.655 5.31509 5.09454 6.60757 105.286 -10.1828 5.48132 -6.69877 -85.7983 TIMING: 64600 CPU: 187.792, 0.00292473/step Wall: 187.792, 0.00292473/step, 4.00965 hours remaining, 196.960938 MB of memory in use. ENERGY: 64600 720.0364 2127.6462 1982.2724 116.8332 -205790.8893 17540.7222 0.0000 0.0000 34326.7015 -148976.6774 299.7836 -183303.3789 -148893.6275 299.4732 -7.8608 25.5946 556480.1553 12.4530 12.3807 PRESSURE: 64800 297.282 41.7777 23.4421 41.7765 -56.6349 20.6622 23.4418 20.6609 19.9559 GPRESSURE: 64800 318.342 41.2245 53.6394 85.0161 -45.1809 -117.188 10.1568 114.568 66.5588 PRESSAVG: 64800 31.5977 15.3418 26.9682 15.3417 -50.0437 -65.1699 26.9682 -65.1699 -9.11014 GPRESSAVG: 64800 32.6825 16.1675 30.2446 14.6097 -51.1958 -66.2841 23.958 -65.1778 -9.31896 TIMING: 64800 CPU: 188.371, 0.002897/step Wall: 188.371, 0.002897/step, 3.97146 hours remaining, 196.960938 MB of memory in use. ENERGY: 64800 734.4171 2106.7174 1978.0284 123.3778 -205884.7956 17524.5783 0.0000 0.0000 34419.5316 -148998.1450 300.5943 -183417.6766 -148898.2417 300.1179 86.8677 113.2399 555457.2152 -9.1854 -9.2774 PRESSURE: 65000 3.66658 56.0196 17.9705 56.0206 72.5309 25.5073 17.9705 25.5052 449.808 GPRESSURE: 65000 41.7275 81.8786 100.555 80.6169 124.611 66.4281 -9.03746 -8.49571 449.169 PRESSAVG: 65000 -17.3985 -5.36156 15.4555 -5.36156 -4.66824 -7.03416 15.4555 -7.03406 -52.0632 GPRESSAVG: 65000 -18.7997 -5.08325 11.0861 -4.27816 -3.80694 -4.60117 18.9389 -10.3322 -50.9137 TIMING: 65000 CPU: 188.952, 0.00290616/step Wall: 188.952, 0.00290616/step, 3.98386 hours remaining, 196.960938 MB of memory in use. ENERGY: 65000 775.4050 2069.9971 1957.8298 128.5281 -206231.7339 18027.2898 0.0000 0.0000 34251.5342 -149021.1498 299.1272 -183272.6840 -148921.3921 299.3266 175.3353 205.1690 556923.4648 -24.7100 -24.5068 PRESSURE: 65200 161.817 244.516 -43.8434 244.516 -125.829 20.9581 -43.8425 20.9569 -75.2744 GPRESSURE: 65200 214.765 231.424 -16.3106 185.226 -105.848 6.31098 -37.7803 103.32 -57.9508 PRESSAVG: 65200 -39.483 40.9265 6.66626 40.9265 38.3889 -20.5626 6.66624 -20.5627 21.8904 GPRESSAVG: 65200 -39.1472 38.9581 7.56136 42.0072 37.8711 -20.8982 6.01445 -19.5195 22.4254 TIMING: 65200 CPU: 189.534, 0.00290795/step Wall: 189.534, 0.00290795/step, 3.98616 hours remaining, 196.960938 MB of memory in use. ENERGY: 65200 777.2072 2086.5110 1967.7455 108.7821 -206045.4871 17786.2055 0.0000 0.0000 34454.0130 -148865.0229 300.8955 -183319.0359 -148767.2970 299.8473 -13.0954 16.9888 558438.4931 6.9321 7.0498 PRESSURE: 65400 153.545 116.214 173.29 116.215 -234.704 81.039 173.292 81.039 -29.4252 GPRESSURE: 65400 185.665 213.102 69.0199 89.5989 -166.668 21.2564 271.897 106.25 -44.8105 PRESSAVG: 65400 -15.92 70.3689 5.01899 70.3689 -8.47528 11.9579 5.01896 11.9578 41.9455 GPRESSAVG: 65400 -15.5962 70.8156 5.45587 70.689 -8.00761 13.2592 4.11845 11.5883 40.8918 TIMING: 65400 CPU: 190.115, 0.00290522/step Wall: 190.115, 0.00290522/step, 3.98224 hours remaining, 196.960938 MB of memory in use. ENERGY: 65400 735.6673 2148.4342 1967.7144 104.2086 -205541.9654 17498.5478 0.0000 0.0000 34295.8981 -148791.4950 299.5146 -183087.3931 -148693.0947 299.4624 -36.8612 -8.6044 558338.8734 5.8500 5.7627 PRESSURE: 65600 18.3851 -13.4417 3.30334 -13.4425 47.7045 -141.015 3.3025 -141.014 -150.829 GPRESSURE: 65600 93.5699 -48.2974 71.7563 1.31885 95.8247 -205.636 23.9289 -80.9235 -172.486 PRESSAVG: 65600 -75.1361 16.4246 -29.5108 16.4247 37.8562 17.8405 -29.5108 17.8404 -22.4536 GPRESSAVG: 65600 -76.2809 15.6174 -29.1111 17.1966 39.4128 16.4509 -28.2349 18.8079 -22.8703 TIMING: 65600 CPU: 190.694, 0.002896/step Wall: 190.694, 0.002896/step, 3.96945 hours remaining, 196.960938 MB of memory in use. ENERGY: 65600 780.8113 2093.5791 1972.8629 121.5868 -206013.8214 18042.2663 0.0000 0.0000 34256.5555 -148746.1595 299.1710 -183002.7150 -148655.2877 299.7280 -28.2466 5.6363 558541.2817 -19.9112 -19.9128 PRESSURE: 65800 166.541 134.326 -36.5613 134.326 128.004 -23.818 -36.5626 -23.82 266.697 GPRESSURE: 65800 183.525 134.987 -21.4781 192.746 171.72 46.3578 -21.2182 -36.7079 317.278 PRESSAVG: 65800 38.4796 -17.2754 -33.1721 -17.2754 -51.2955 -41.9337 -33.1721 -41.9337 15.2563 GPRESSAVG: 65800 38.6683 -17.5822 -32.5164 -17.9809 -52.0906 -39.8962 -34.032 -42.4543 16.0189 TIMING: 65800 CPU: 191.277, 0.00291313/step Wall: 191.277, 0.00291313/step, 3.99278 hours remaining, 196.960938 MB of memory in use. ENERGY: 65800 757.5269 2099.3159 1962.8078 103.5745 -206088.8465 18088.4967 0.0000 0.0000 34266.1724 -148810.9522 299.2550 -183077.1246 -148714.2723 299.5149 187.0808 224.1744 556666.1652 0.8135 0.8655 PRESSURE: 66000 235.176 -123.599 35.5421 -123.598 14.1988 190.182 35.5423 190.182 190.698 GPRESSURE: 66000 228.048 -103.576 15.7558 -170.919 54.5155 108.816 42.2325 190.828 237.493 PRESSAVG: 66000 41.0259 -9.22397 65.4209 -9.22402 -53.5055 -51.6282 65.4209 -51.6281 -9.35894 GPRESSAVG: 66000 40.9537 -8.80185 65.9887 -9.35827 -54.4172 -52.3681 64.3647 -49.8279 -9.18768 TIMING: 66000 CPU: 191.856, 0.00289708/step Wall: 191.856, 0.00289708/step, 3.97061 hours remaining, 196.960938 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: 66000 726.7220 2133.9197 1970.6039 123.6150 -206380.0553 18038.3355 0.0000 0.0000 34558.7388 -148828.1204 301.8101 -183386.8592 -148731.0529 300.1643 146.6911 173.3524 556767.1091 -7.2795 -7.5504 PRESSURE: 66200 -259.208 23.0383 32.0822 23.0379 -115.862 -133.216 32.0813 -133.215 -138.625 GPRESSURE: 66200 -263.271 -76.3055 -24.6716 -51.1048 -81.18 -43.8765 24.0489 -181.843 -84.1748 PRESSAVG: 66200 43.5009 50.4106 17.1188 50.4106 -18.6121 -1.99471 17.1189 -1.9946 5.72049 GPRESSAVG: 66200 42.5371 51.3828 17.3514 50.3357 -18.1696 -3.69168 17.1524 -2.93345 6.37745 TIMING: 66200 CPU: 192.439, 0.00291419/step Wall: 192.439, 0.00291419/step, 3.9939 hours remaining, 196.960938 MB of memory in use. ENERGY: 66200 762.0133 2033.4117 1979.1673 121.6311 -205564.9725 17528.8667 0.0000 0.0000 34452.4545 -148687.4280 300.8819 -183139.8825 -148584.0582 300.7341 -171.2317 -142.8752 558080.3109 10.2031 10.2483 PRESSURE: 66400 34.3089 -63.7486 131.51 -63.7482 79.0976 -65.9342 131.509 -65.9363 459.56 GPRESSURE: 66400 85.996 -78.5524 97.0644 -20.5764 81.0929 -88.9664 152.33 26.4651 481.661 PRESSAVG: 66400 -2.78799 7.96723 -10.4559 7.96718 31.3644 5.50065 -10.4559 5.50077 40.0083 GPRESSAVG: 66400 -1.78824 8.5403 -10.8795 6.44484 30.5113 5.40991 -10.5004 6.37143 39.4875 TIMING: 66400 CPU: 193.017, 0.00288994/step Wall: 193.017, 0.00288994/step, 3.9605 hours remaining, 196.960938 MB of memory in use. ENERGY: 66400 757.0332 2195.1930 1983.3792 127.5303 -206005.4049 17890.0987 0.0000 0.0000 34420.3802 -148631.7902 300.6017 -183052.1704 -148535.1628 300.8535 190.9888 216.2500 556053.1940 22.8616 22.7369 PRESSURE: 66600 -47.9226 6.85449 51.2785 6.85405 -38.4019 2.99479 51.2789 2.99659 28.4511 GPRESSURE: 66600 -24.3441 -4.7333 132.348 -41.9888 10.0639 133.002 -27.5772 -27.8996 58.9397 PRESSAVG: 66600 -50.0857 -46.8188 21.795 -46.8188 16.4612 -45.7475 21.7949 -45.7476 29.7649 GPRESSAVG: 66600 -50.0257 -48.6693 20.9385 -45.2582 17.1935 -44.9245 21.9766 -46.7964 28.9461 TIMING: 66600 CPU: 193.604, 0.00293599/step Wall: 193.604, 0.00293599/step, 4.02345 hours remaining, 196.960938 MB of memory in use. ENERGY: 66600 773.4051 2075.0461 1971.5803 117.1811 -205827.3681 17816.1613 0.0000 0.0000 34355.9568 -148718.0375 300.0391 -183073.9942 -148614.9640 299.8249 -19.2911 14.8865 559099.6498 -1.2865 -1.2954 PRESSURE: 66800 -208.868 262.973 73.2871 262.975 -28.2287 36.122 73.2866 36.1218 45.1959 GPRESSURE: 66800 -160.295 278.976 174.87 221.351 63.7986 124.011 53.3723 25.9325 -1.63832 PRESSAVG: 66800 -1.29648 59.1487 9.4913 59.1487 50.4003 46.5389 9.49113 46.5389 -30.7993 GPRESSAVG: 66800 -2.90341 59.5457 10.0514 59.4432 49.9976 46.3455 10.7962 46.6429 -28.768 TIMING: 66800 CPU: 194.19, 0.00292711/step Wall: 194.19, 0.00292711/step, 4.01111 hours remaining, 196.960938 MB of memory in use. ENERGY: 66800 762.1168 2106.5002 1971.5494 111.1798 -205534.5363 17613.2477 0.0000 0.0000 34293.4453 -148676.4972 299.4932 -182969.9425 -148584.3552 300.9295 -63.9671 -32.7115 559335.1079 6.1015 6.1087 PRESSURE: 67000 -54.2188 -7.71595 98.3661 -7.7155 71.9346 -11.4618 98.3674 -11.4619 62.2212 GPRESSURE: 67000 -34.0877 37.0184 113.633 -20.7648 97.8803 17.5514 116.582 -60.3803 109.167 PRESSAVG: 67000 -54.0519 19.6082 -7.84996 19.6083 -5.6509 39.6743 -7.84996 39.6741 49.1622 GPRESSAVG: 67000 -53.1724 20.3118 -5.36246 18.259 -5.98692 39.7441 -11.2678 40.2075 48.7795 TIMING: 67000 CPU: 194.775, 0.00292616/step Wall: 194.775, 0.00292616/step, 4.00966 hours remaining, 196.960938 MB of memory in use. ENERGY: 67000 781.3920 2145.0056 1947.1480 109.5241 -206045.2088 17850.0432 0.0000 0.0000 34379.7038 -148832.3920 300.2465 -183212.0958 -148731.3725 300.9265 26.6457 57.6533 558735.0457 -3.5136 -3.4600 PRESSURE: 67200 79.3621 4.24908 73.5912 4.24814 22.1878 91.4695 73.5906 91.4716 -95.0689 GPRESSURE: 67200 140.721 -10.156 28.7144 59.8928 63.9887 130.392 145.9 34.3758 -87.1192 PRESSAVG: 67200 -6.45135 4.07689 -34.3325 4.07688 -4.6182 29.0371 -34.3324 29.0373 -32.5398 GPRESSAVG: 67200 -5.31778 3.61344 -37.3035 4.21873 -4.77736 29.3024 -31.9655 28.7654 -33.5864 TIMING: 67200 CPU: 195.359, 0.00292119/step Wall: 195.359, 0.00292119/step, 4.00268 hours remaining, 196.960938 MB of memory in use. ENERGY: 67200 721.5815 2130.4759 1969.3139 107.8646 -205945.2585 17827.3327 0.0000 0.0000 34366.6346 -148822.0553 300.1324 -183188.6898 -148718.7317 299.6784 2.1603 39.1970 559141.0588 -14.5365 -14.5605 PRESSURE: 67400 162.466 -137.358 245.269 -137.357 -24.0188 -64.2214 245.267 -64.2206 31.1407 GPRESSURE: 67400 112.736 -129.656 162.394 -179.033 18.0488 -147.189 198.007 -12.19 132.098 PRESSAVG: 67400 -23.7098 -60.5535 22.9237 -60.5536 12.3574 -28.2699 22.9237 -28.2699 -6.85236 GPRESSAVG: 67400 -24.9245 -59.6036 24.0745 -60.51 12.8389 -26.7242 21.151 -27.2476 -6.40033 TIMING: 67400 CPU: 195.941, 0.00291233/step Wall: 195.941, 0.00291233/step, 3.99037 hours remaining, 196.960938 MB of memory in use. ENERGY: 67400 788.2513 2151.4059 1956.9578 101.9886 -206400.6667 18136.5612 0.0000 0.0000 34204.1250 -149061.3769 298.7131 -183265.5019 -148967.9646 300.1564 56.5291 87.6274 558148.0230 -6.0683 -6.1620 PRESSURE: 67600 -344.895 2.03593 24.4353 2.03661 -61.5856 177.005 24.436 177.004 -143.285 GPRESSURE: 67600 -272.238 -14.4905 -3.43661 18.964 -66.6057 235.442 88.5207 174.614 -125.463 PRESSAVG: 67600 -1.28579 -1.05884 19.1567 -1.05895 53.2354 -18.3284 19.1567 -18.3285 -34.6871 GPRESSAVG: 67600 -1.45877 -2.12088 16.6904 -2.15808 54.4409 -17.6801 22.4165 -19.0894 -34.4864 TIMING: 67600 CPU: 196.524, 0.0029113/step Wall: 196.524, 0.0029113/step, 3.98881 hours remaining, 196.960938 MB of memory in use. ENERGY: 67600 769.4510 2160.3311 1991.0818 114.9966 -206281.4800 17735.7657 0.0000 0.0000 34402.2983 -149107.5554 300.4438 -183509.8537 -149012.6426 299.8067 -183.2549 -154.7689 558759.8134 5.7542 6.1653 PRESSURE: 67800 123.054 105.621 -38.4123 105.62 -25.5528 -0.864726 -38.4107 -0.865552 9.63146 GPRESSURE: 67800 137.247 42.8267 46.5411 232.514 15.6863 -64.2496 -22.2322 30.3853 50.1499 PRESSAVG: 67800 13.0107 15.2415 -25.9204 15.2415 42.2624 -41.9079 -25.9204 -41.9081 -54.3991 GPRESSAVG: 67800 13.1423 17.306 -24.2679 15.5062 41.2431 -44.4309 -26.4713 -41.1559 -53.547 TIMING: 67800 CPU: 197.102, 0.00289184/step Wall: 197.102, 0.00289184/step, 3.96198 hours remaining, 196.960938 MB of memory in use. ENERGY: 67800 748.1607 2142.2507 1940.9078 120.7571 -206462.0442 18114.2721 0.0000 0.0000 34281.1403 -149114.5555 299.3857 -183395.6958 -149013.3420 299.4162 35.7108 67.6944 557582.5437 0.2913 0.2795 PRESSURE: 68000 -72.3323 -156.508 -1.77564 -156.509 -156.6 6.86663 -1.77597 6.86491 -87.2259 GPRESSURE: 68000 -72.1773 -212.451 -43.1087 -162.664 -51.1188 49.2828 73.3411 -23.9357 -91.3183 PRESSAVG: 68000 -2.81675 -3.64121 28.0699 -3.64118 -20.1473 -33.1128 28.0701 -33.1129 32.3676 GPRESSAVG: 68000 -2.75289 -6.59852 29.7423 -1.18893 -19.4007 -32.8165 24.7291 -33.5154 30.736 TIMING: 68000 CPU: 197.679, 0.00288462/step Wall: 197.679, 0.00288462/step, 3.95193 hours remaining, 196.960938 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: 68000 739.0544 2093.9258 1946.1261 105.1283 -206061.2489 17711.7199 0.0000 0.0000 34261.0467 -149204.2477 299.2102 -183465.2944 -149104.9395 299.8878 -105.3862 -71.5382 558056.1773 3.1345 2.8608 PRESSURE: 68200 102.26 -134.585 -3.18924 -134.585 -42.3465 -237.409 -3.18938 -237.409 137.997 GPRESSURE: 68200 145.85 -183.318 -29.8137 -127.955 -27.2219 -202.906 -52.2515 -248.94 167.095 PRESSAVG: 68200 -2.04703 -3.06236 -39.329 -3.06246 -23.7663 -72.1572 -39.3289 -72.157 11.642 GPRESSAVG: 68200 -1.14314 -1.57352 -40.4285 -6.18688 -25.2102 -69.7924 -37.5312 -71.7368 12.9435 TIMING: 68200 CPU: 198.26, 0.00290257/step Wall: 198.26, 0.00290257/step, 3.97637 hours remaining, 196.960938 MB of memory in use. ENERGY: 68200 713.0980 2144.9727 1947.2384 99.3213 -206124.8798 17841.7888 0.0000 0.0000 34192.7061 -149185.7545 298.6134 -183378.4606 -149085.3191 299.4562 65.9703 95.2410 557976.8866 -4.7238 -4.4699 LDB: ============= START OF LOAD BALANCING ============== 201.726 LDB: ============== END OF LOAD BALANCING =============== 201.726 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 201.728 LDB: ============= START OF LOAD BALANCING ============== 202.018 LDB: Largest compute 4827 load 0.029336 is 25.0% of average load 0.117259 LDB: Average compute 0.001728 is 1.5% of average load 0.117259 LDB: TIME 202.02 LOAD: AVG 0.117259 MAX 0.17577 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.797 MB LDB: TIME 202.021 LOAD: AVG 0.117259 MAX 0.17577 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.801 MB LDB: TIME 202.021 LOAD: AVG 0.117259 MAX 0.17577 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.801 MB LDB: ============== END OF LOAD BALANCING =============== 202.023 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 202.027 PRESSURE: 68400 17.7239 -88.8069 60.2204 -88.8087 226.558 -105.552 60.2208 -105.553 223.818 GPRESSURE: 68400 78.4725 -142.67 182.612 -132.719 228.307 -124.361 57.148 -70.1812 248.449 PRESSAVG: 68400 -10.8084 -78.0353 13.5548 -78.0351 23.9139 -27.4933 13.5548 -27.4934 13.7252 GPRESSAVG: 68400 -10.8227 -79.0769 12.9799 -76.7597 24.4359 -28.8415 12.9442 -28.0752 13.3021 TIMING: 68400 CPU: 198.852, 0.00296139/step Wall: 198.852, 0.00296139/step, 4.05678 hours remaining, 197.257812 MB of memory in use. ENERGY: 68400 798.5030 2092.6033 1972.5973 102.8378 -206754.0580 18267.1823 0.0000 0.0000 34202.4424 -149317.8918 298.6984 -183520.3342 -149216.7438 298.6555 156.0332 185.0761 557342.4781 8.9436 8.9717 PRESSURE: 68600 29.8645 -70.7431 28.5375 -70.7424 208.111 -133.019 28.5372 -133.021 -100.989 GPRESSURE: 68600 31.4742 -14.2484 -6.43975 -104.297 210.753 -143.164 26.9465 -148.995 -8.79024 PRESSAVG: 68600 -57.3159 -68.9547 -51.009 -68.9547 24.8795 19.9467 -51.009 19.9467 8.49801 GPRESSAVG: 68600 -57.8155 -66.4801 -50.5394 -70.5238 25.0577 20.1454 -51.5767 19.9899 9.22408 TIMING: 68600 CPU: 199.434, 0.00290842/step Wall: 199.434, 0.00290842/step, 3.98405 hours remaining, 197.460938 MB of memory in use. ENERGY: 68600 753.4573 2128.9302 1946.9187 99.3126 -206243.3366 17960.4746 0.0000 0.0000 34087.2716 -149266.9716 297.6926 -183354.2432 -149172.2730 298.5976 45.6624 77.8125 557526.6021 -7.9795 -7.8446 PRESSURE: 68800 183.406 -13.7636 -81.5213 -13.7641 107.174 90.7251 -81.521 90.7245 43.4097 GPRESSURE: 68800 230.105 -87.2177 -102.843 -70.3557 192.36 90.4808 -126.967 121.317 9.80747 PRESSAVG: 68800 -23.9496 -14.7797 -55.5888 -14.7797 101.698 -40.9527 -55.5888 -40.9528 -25.1909 GPRESSAVG: 68800 -24.4545 -15.8406 -56.7459 -12.7639 102.813 -40.9015 -54.6361 -40.969 -25.1567 TIMING: 68800 CPU: 200.015, 0.00290725/step Wall: 200.015, 0.00290725/step, 3.98229 hours remaining, 197.460938 MB of memory in use. ENERGY: 68800 741.4135 2065.3657 1946.0736 102.1658 -206565.3027 17967.0862 0.0000 0.0000 34447.4560 -149295.7419 300.8382 -183743.1979 -149199.5721 298.8230 111.3300 144.0906 557678.7980 17.5191 17.7339 PRESSURE: 69000 -135.337 -43.2078 67.2437 -43.2071 -205.751 103.42 67.2439 103.421 -326.978 GPRESSURE: 69000 -118.623 3.88861 159.702 -40.9891 -143.154 81.3381 -3.40096 99.1366 -297.882 PRESSAVG: 69000 1.30349 -34.7558 -21.6218 -34.7558 35.809 -10.4079 -21.6219 -10.4081 -54.1304 GPRESSAVG: 69000 1.08087 -34.9151 -20.3584 -36.4891 34.6988 -10.7192 -21.4797 -10.8017 -52.5237 TIMING: 69000 CPU: 200.597, 0.00290927/step Wall: 200.597, 0.00290927/step, 3.9849 hours remaining, 197.460938 MB of memory in use. ENERGY: 69000 754.0023 2084.2847 1970.8838 110.1327 -205908.5216 17595.0458 0.0000 0.0000 34314.9661 -149079.2063 299.6811 -183394.1724 -148977.8907 299.7196 -222.6888 -186.5532 559881.8588 -5.6726 -5.5814 PRESSURE: 69200 48.2396 -18.8267 193.561 -18.8285 -142.266 -15.1791 193.561 -15.1807 -91.8872 GPRESSURE: 69200 38.421 22.6825 101.16 61.7762 -55.5638 -51.481 183.382 42.9296 -65.2413 PRESSAVG: 69200 26.4441 -28.9181 -4.29155 -28.9181 24.4394 -57.6967 -4.29154 -57.6967 -50.1959 GPRESSAVG: 69200 27.2225 -28.8301 -6.32174 -29.4817 25.3121 -56.7586 -4.49976 -57.5403 -51.6003 TIMING: 69200 CPU: 201.181, 0.00291941/step Wall: 201.181, 0.00291941/step, 3.99862 hours remaining, 197.460938 MB of memory in use. ENERGY: 69200 750.7244 2157.0322 1955.5221 117.1340 -206115.1784 17722.6751 0.0000 0.0000 34394.5735 -149017.5170 300.3764 -183412.0905 -148917.3616 299.7111 -61.9711 -27.4614 557313.6857 0.2292 0.3114 PRESSURE: 69400 -41.4184 -23.2727 9.31988 -23.2721 -228.427 -93.6198 9.31879 -93.6186 -220.73 GPRESSURE: 69400 -1.17607 -95.3055 106.542 64.8203 -171.952 -150.485 -48.2673 -83.5695 -213.694 PRESSAVG: 69400 97.758 -11.4626 10.9403 -11.4627 -24.7862 0.00653446 10.9404 0.00659525 -41.28 GPRESSAVG: 69400 97.3106 -12.4043 13.016 -10.4052 -25.0894 0.362024 10.7625 -0.166927 -40.2912 TIMING: 69400 CPU: 201.764, 0.00291796/step Wall: 201.764, 0.00291796/step, 3.99647 hours remaining, 197.460938 MB of memory in use. ENERGY: 69400 760.7353 2088.8145 1971.8966 118.0056 -206231.0181 17801.8031 0.0000 0.0000 34423.7913 -149065.9717 300.6315 -183489.7630 -148961.8888 299.1896 -163.5250 -128.9407 558039.2452 10.5639 10.6433 PRESSURE: 69600 -175.625 -55.8513 -96.0004 -55.8522 111.056 25.2096 -95.9998 25.2089 65.3388 GPRESSURE: 69600 -177.139 -2.38126 -92.8912 -120.084 213.619 19.1967 28.9847 22.2117 47.2985 PRESSAVG: 69600 -70.4773 43.8947 59.4751 43.8946 15.3614 30.5232 59.4751 30.5231 20.815 GPRESSAVG: 69600 -70.8741 45.4775 56.8249 43.1792 16.7925 30.7292 61.6736 30.4841 20.0112 TIMING: 69600 CPU: 202.346, 0.00291089/step Wall: 202.346, 0.00291089/step, 3.98663 hours remaining, 197.460938 MB of memory in use. ENERGY: 69600 775.8578 2122.6298 1928.2527 112.2777 -206131.2298 17772.3431 0.0000 0.0000 34349.3075 -149070.5613 299.9810 -183419.8688 -148973.9297 299.6814 0.2567 27.9262 557925.6576 -11.4336 -11.3568 PRESSURE: 69800 -76.962 54.1807 -63.9073 54.1794 295.635 136.228 -63.9068 136.227 272.999 GPRESSURE: 69800 -34.2389 8.08797 -82.4396 104.127 343.781 80.5409 -98.9208 128.443 282.862 PRESSAVG: 69800 28.3704 -9.39191 -10.8974 -9.3919 -11.5466 -6.75472 -10.8974 -6.75477 47.4156 GPRESSAVG: 69800 28.4284 -12.1332 -10.3219 -7.80316 -11.706 -9.19869 -11.1095 -5.41725 47.4924 TIMING: 69800 CPU: 202.932, 0.00292638/step Wall: 202.932, 0.00292638/step, 4.00768 hours remaining, 197.460938 MB of memory in use. ENERGY: 69800 725.9787 2081.6390 1947.7245 112.5128 -206151.5640 18071.6407 0.0000 0.0000 34193.7152 -149018.3531 298.6222 -183212.0683 -148926.1698 299.4495 163.8906 197.4683 557767.2485 21.4131 21.4050 PRESSURE: 70000 -231.604 -46.1521 -28.8048 -46.151 85.253 45.4423 -28.8052 45.4407 -170.866 GPRESSURE: 70000 -138.451 -57.1922 -54.9072 16.434 55.7063 69.1392 -37.4025 50.6807 -150.141 PRESSAVG: 70000 -4.82023 -18.5647 21.6165 -18.5647 -34.6006 8.09 21.6165 8.09025 19.0122 GPRESSAVG: 70000 -3.74884 -19.5365 21.1534 -18.7242 -35.773 9.18477 19.7771 5.67877 18.4366 TIMING: 70000 CPU: 203.513, 0.00290491/step Wall: 203.513, 0.00290491/step, 3.97811 hours remaining, 197.460938 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: 70000 717.3031 2082.3376 1971.2009 114.5716 -206176.2761 17730.4184 0.0000 0.0000 34232.9801 -149327.4644 298.9651 -183560.4445 -149230.0517 298.6794 -105.7390 -77.6287 558321.9411 -6.8029 -7.0284 PRESSURE: 70200 175.795 -65.0756 50.7924 -65.0755 92.9238 -64.2116 50.7919 -64.2125 -81.8707 GPRESSURE: 70200 176.498 -133.909 -39.3129 9.79118 119.935 3.82135 73.1047 -42.7177 -13.9212 PRESSAVG: 70200 -67.0173 -26.4987 4.70937 -26.4987 19.467 23.1196 4.70929 23.1196 8.89753 GPRESSAVG: 70200 -67.6158 -23.1026 6.81167 -29.8678 19.5481 21.7524 4.6708 26.0963 10.1467 TIMING: 70200 CPU: 204.099, 0.00293118/step Wall: 204.099, 0.00293118/step, 4.01392 hours remaining, 197.460938 MB of memory in use. ENERGY: 70200 753.9829 2062.6480 1972.5196 123.3726 -206458.6589 18172.9383 0.0000 0.0000 34255.6960 -149117.5015 299.1635 -183373.1976 -149017.6878 298.3800 62.2828 94.1707 558164.2289 -12.8843 -12.6403 PRESSURE: 70400 -104.018 -2.34232 75.835 -2.3422 30.7138 -50.0901 75.835 -50.088 54.1009 GPRESSURE: 70400 -60.1144 -21.4958 -0.0985832 12.35 127.956 -103.913 106.609 -83.2252 18.349 PRESSAVG: 70400 59.4859 4.22995 -9.71416 4.22994 -4.21837 -29.2652 -9.71421 -29.2652 -28.2255 GPRESSAVG: 70400 59.545 0.476068 -11.5816 7.84705 -4.50818 -29.0932 -9.25627 -29.0652 -28.314 TIMING: 70400 CPU: 204.682, 0.00291655/step Wall: 204.682, 0.00291655/step, 3.99373 hours remaining, 197.460938 MB of memory in use. ENERGY: 70400 726.4076 2066.4243 1957.3148 106.9421 -206166.2341 17810.0501 0.0000 0.0000 34302.1588 -149196.9362 299.5693 -183499.0951 -149099.9897 298.9399 -6.4012 28.7302 557499.5625 9.0140 8.9076 PRESSURE: 70600 -0.0592671 -28.5356 -74.1661 -28.5363 32.3552 74.9085 -74.1658 74.9087 -7.66653 GPRESSURE: 70600 8.85804 45.6054 -93.4025 -44.2446 110.295 65.9834 -92.5273 88.9708 -0.375214 PRESSAVG: 70600 -70.4588 27.7745 49.0656 27.7744 75.911 -31.5507 49.0656 -31.5506 57.7834 GPRESSAVG: 70600 -70.9932 28.3735 49.8692 27.4804 77.2641 -29.4678 47.7064 -35.8815 56.2303 TIMING: 70600 CPU: 205.268, 0.00292619/step Wall: 205.268, 0.00292619/step, 4.00677 hours remaining, 197.460938 MB of memory in use. ENERGY: 70600 726.7784 2099.8332 1951.1858 118.3412 -206285.2046 17954.9122 0.0000 0.0000 34137.9899 -149296.1637 298.1356 -183434.1536 -149199.0250 299.4252 8.2098 39.5926 558606.8770 21.0786 20.8337 PRESSURE: 70800 -67.2917 46.4777 69.9569 46.4766 -91.6236 -57.1775 69.957 -57.1761 -156.492 GPRESSURE: 70800 -50.4901 105.086 7.78535 -20.1795 -58.9012 -54.9645 124.951 16.2417 -95.8168 PRESSAVG: 70800 -60.7597 -28.9124 -36.3172 -28.9123 16.5412 55.7284 -36.3172 55.7282 22.0297 GPRESSAVG: 70800 -59.7488 -27.7759 -35.1331 -29.3055 14.8592 53.9681 -35.5491 58.8729 22.43 TIMING: 70800 CPU: 205.855, 0.00293909/step Wall: 205.855, 0.00293909/step, 4.02426 hours remaining, 197.460938 MB of memory in use. ENERGY: 70800 773.7400 2094.0194 1953.8591 122.4775 -206436.7547 17850.5416 0.0000 0.0000 34307.3557 -149334.7613 299.6147 -183642.1169 -149241.5567 298.7031 -105.1359 -68.4027 556793.7456 -7.3963 -7.4865 PRESSURE: 71000 -273.616 101.37 -96.0987 101.371 -2.51679 -52.9338 -96.0981 -52.9336 -39.5935 GPRESSURE: 71000 -215.175 140.922 11.8835 59.901 26.0718 -5.47006 -141.059 -6.67652 -17.4543 PRESSAVG: 71000 -43.2365 18.3951 1.95722 18.395 77.8573 -51.5597 1.95727 -51.5597 -18.9239 GPRESSAVG: 71000 -43.7795 16.9519 -0.697591 19.5669 77.178 -49.7128 2.79681 -52.6068 -17.5047 TIMING: 71000 CPU: 206.437, 0.00290709/step Wall: 206.437, 0.00290709/step, 3.98029 hours remaining, 197.460938 MB of memory in use. ENERGY: 71000 713.2098 2067.0593 1972.5079 102.9743 -206013.6595 17672.6071 0.0000 0.0000 34150.1610 -149335.1401 298.2418 -183485.3011 -149235.8804 298.8030 -105.2423 -68.8525 557677.0210 5.2323 5.2979 PRESSURE: 71200 -141.705 131.363 33.4103 131.364 -86.2659 -91.3473 33.4109 -91.3459 40.7417 GPRESSURE: 71200 -105.301 186.715 23.3654 86.4455 -85.2676 26.3524 -18.2557 -108.893 87.3334 PRESSAVG: 71200 18.7049 20.5943 -24.7061 20.5943 23.0854 8.86235 -24.7061 8.86238 -15.5502 GPRESSAVG: 71200 18.3849 21.201 -21.0866 19.2606 25.4542 7.60609 -24.5826 9.33645 -17.9306 TIMING: 71200 CPU: 207.02, 0.00291694/step Wall: 207.02, 0.00291694/step, 3.99361 hours remaining, 197.460938 MB of memory in use. ENERGY: 71200 757.1559 2108.9013 1939.3718 114.6492 -206491.5679 17914.0184 0.0000 0.0000 34327.3924 -149330.0790 299.7897 -183657.4714 -149235.4102 298.9050 -62.4098 -34.4117 557133.5169 8.7467 8.6362 PRESSURE: 71400 352.271 -60.8837 155.736 -60.8848 284.238 -41.2631 155.735 -41.2614 351.866 GPRESSURE: 71400 421.498 67.9525 120.363 -80.2995 336.314 -38.5977 92.5641 18.5042 327.856 PRESSAVG: 71400 -64.2587 41.496 0.580616 41.496 -86.7625 -1.92962 0.580625 -1.92963 95.2574 GPRESSAVG: 71400 -63.6708 43.1762 -0.64309 41.6688 -88.613 -1.51317 0.362385 -2.9173 96.1512 TIMING: 71400 CPU: 207.61, 0.00294931/step Wall: 207.61, 0.00294931/step, 4.03777 hours remaining, 197.460938 MB of memory in use. ENERGY: 71400 709.3388 2090.4385 1916.6329 129.8770 -206630.6571 18177.3747 0.0000 0.0000 34196.8037 -149410.1915 298.6492 -183606.9952 -149312.3836 298.5848 329.4584 361.8894 554520.6567 -18.5879 -18.7109 PRESSURE: 71600 -29.3783 -1.5073 -181.936 -1.50792 -214.862 -86.2739 -181.937 -86.2703 -29.0238 GPRESSURE: 71600 -38.4875 30.1107 -207.32 -16.2571 -180.509 -29.7257 -151.97 -79.462 41.2861 PRESSAVG: 71600 -18.5735 74.1828 -31.5987 74.1829 -1.32409 8.26834 -31.5987 8.26832 24.5019 GPRESSAVG: 71600 -19.4515 74.5783 -33.6018 72.4781 0.479483 9.12232 -30.1891 8.18491 23.8108 TIMING: 71600 CPU: 208.195, 0.00292278/step Wall: 208.195, 0.00292278/step, 4.00129 hours remaining, 197.460938 MB of memory in use. ENERGY: 71600 732.4813 2123.5122 1946.5011 100.1295 -206119.6034 17737.0414 0.0000 0.0000 34268.7305 -149211.2073 299.2773 -183479.9378 -149115.1497 298.9722 -91.0879 -59.2370 557697.8197 1.5348 1.6130 PRESSURE: 71800 -83.9799 75.948 -218.279 75.9463 -98.5373 -114.857 -218.278 -114.858 -86.8489 GPRESSURE: 71800 -119.188 51.2491 -210.93 112.112 -19.829 -51.5555 -249.391 -193.861 -43.1728 PRESSAVG: 71800 -9.35859 41.5589 -8.73009 41.5588 26.0968 42.9786 -8.73012 42.9785 -11.1054 GPRESSAVG: 71800 -9.03473 39.1222 -7.55111 45.0364 25.1294 38.907 -9.52793 46.4437 -11.1076 TIMING: 71800 CPU: 208.778, 0.00291695/step Wall: 208.778, 0.00291695/step, 3.99314 hours remaining, 197.460938 MB of memory in use. ENERGY: 71800 735.5243 2063.4814 1945.4023 113.6783 -206005.0453 17619.6094 0.0000 0.0000 34291.3355 -149236.0142 299.4748 -183527.3497 -149137.5963 299.3556 -89.7887 -60.7299 556430.6063 1.8776 1.6624 PRESSURE: 72000 -100.829 56.7266 -49.1005 56.7267 162.128 -27.8444 -49.1007 -27.8434 87.7721 GPRESSURE: 72000 -36.8522 24.464 -65.3578 16.2811 173.456 55.6817 -70.6385 -156.386 110.956 PRESSAVG: 72000 12.9511 -9.3347 -14.7067 -9.33469 -10.9032 -7.03351 -14.7067 -7.03358 31.7457 GPRESSAVG: 72000 14.2396 -6.90865 -14.466 -13.2285 -10.8787 -3.92963 -14.7912 -10.0382 30.7113 TIMING: 72000 CPU: 209.364, 0.00292939/step Wall: 209.364, 0.00292939/step, 4.01001 hours remaining, 197.460938 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: 72000 747.4302 2106.7996 1957.8450 123.5609 -206391.6844 18033.8406 0.0000 0.0000 34335.6918 -149086.5163 299.8621 -183422.2081 -148988.7615 298.8196 49.6903 82.5202 556443.9467 11.2645 11.3574 PRESSURE: 72200 -14.2333 -37.3267 -104.201 -37.3258 151.332 97.8071 -104.202 97.8064 179.291 GPRESSURE: 72200 3.81833 -78.0188 -43.5966 44.9755 232.968 55.1824 -77.4817 62.2674 185.962 PRESSAVG: 72200 23.1138 -10.5027 -12.4523 -10.5027 16.3984 -2.23901 -12.4522 -2.23892 14.8102 GPRESSAVG: 72200 21.8513 -11.2378 -11.9207 -8.54384 16.4226 -3.65475 -14.1841 -1.0977 16.1568 TIMING: 72200 CPU: 209.945, 0.00290842/step Wall: 209.945, 0.00290842/step, 3.98114 hours remaining, 197.460938 MB of memory in use. ENERGY: 72200 741.0158 2049.3196 1938.0462 120.5496 -206338.5553 17943.0227 0.0000 0.0000 34275.2388 -149271.3625 299.3342 -183546.6012 -149173.6874 298.9261 105.4633 140.9158 556980.6275 18.1075 18.1436 LDB: ============= START OF LOAD BALANCING ============== 213.413 LDB: ============== END OF LOAD BALANCING =============== 213.413 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 213.415 LDB: ============= START OF LOAD BALANCING ============== 213.704 LDB: Largest compute 4827 load 0.028095 is 23.9% of average load 0.117389 LDB: Average compute 0.001728 is 1.5% of average load 0.117389 LDB: TIME 213.706 LOAD: AVG 0.117389 MAX 0.178508 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.832 MB LDB: TIME 213.706 LOAD: AVG 0.117389 MAX 0.178508 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.832 MB LDB: TIME 213.707 LOAD: AVG 0.117389 MAX 0.178508 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 213.708 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 213.712 PRESSURE: 72400 -20.9231 -95.2835 -72.2416 -95.2845 125.471 -84.3435 -72.2411 -84.3453 -309.016 GPRESSURE: 72400 45.9248 -40.6789 -94.1544 -80.2144 127.159 -87.7171 -106.862 -39.9933 -287.119 PRESSAVG: 72400 -41.9191 -4.49149 -22.6298 -4.49158 44.9808 33.8478 -22.6297 33.8477 -17.5222 GPRESSAVG: 72400 -40.9417 -4.04607 -24.4224 -4.65026 44.8097 32.4251 -19.3224 35.0942 -18.2733 TIMING: 72400 CPU: 210.537, 0.00295772/step Wall: 210.537, 0.00295772/step, 4.04846 hours remaining, 196.285156 MB of memory in use. ENERGY: 72400 718.4975 2064.7031 1955.5399 121.3431 -206109.0616 17750.3212 0.0000 0.0000 34326.2452 -149172.4116 299.7796 -183498.6568 -149080.1761 299.5746 -68.1559 -38.0115 556044.4729 -4.8202 -4.8018 PRESSURE: 72600 84.6649 12.7756 10.6424 12.7748 -9.52621 29.4846 10.6442 29.4847 229.188 GPRESSURE: 72600 104.319 50.451 38.2003 24.6667 56.2926 25.4648 -7.12004 25.6083 251.024 PRESSAVG: 72600 -82.1087 31.0195 49.8817 31.0196 11.2636 -8.18769 49.8816 -8.18763 52.0817 GPRESSAVG: 72600 -80.4529 30.8631 51.8421 30.8113 11.876 -3.6927 48.1959 -10.7357 50.5243 TIMING: 72600 CPU: 211.114, 0.00288356/step Wall: 211.114, 0.00288356/step, 3.9468 hours remaining, 196.285156 MB of memory in use. ENERGY: 72600 762.1352 2037.8861 1965.0113 115.2414 -206362.9298 17963.8138 0.0000 0.0000 34405.5719 -149113.2701 300.4724 -183518.8421 -149020.2841 299.2261 101.4421 137.2119 556297.4174 -6.2545 -6.0175 PRESSURE: 72800 -22.6734 162.746 -14.505 162.745 -52.8049 -49.5269 -14.5054 -49.5275 161.592 GPRESSURE: 72800 -20.5865 142.018 -3.9955 171.078 -41.5394 -31.7477 19.0056 -75.5751 253.777 PRESSAVG: 72800 -42.3176 17.0633 -24.7387 17.0633 58.2313 27.9925 -24.7387 27.9924 43.771 GPRESSAVG: 72800 -44.0237 18.3914 -27.3255 16.0006 58.6141 25.4699 -23.7682 29.0446 44.9279 TIMING: 72800 CPU: 211.691, 0.00288555/step Wall: 211.691, 0.00288555/step, 3.94935 hours remaining, 196.285156 MB of memory in use. ENERGY: 72800 750.3228 2044.9786 1937.8562 112.9372 -206052.8270 17765.3698 0.0000 0.0000 34216.3816 -149224.9807 298.8202 -183441.3624 -149121.2099 299.4377 28.7045 63.8837 555675.9280 19.8949 19.8394 PRESSURE: 73000 124.072 138.026 8.21343 138.025 201.006 149.349 8.21252 149.349 24.2699 GPRESSURE: 73000 132.748 174.707 57.309 138.548 227.552 169.899 -19.1709 134.59 69.7669 PRESSAVG: 73000 16.9435 -28.3516 -16.7516 -28.3517 -37.9461 -25.534 -16.7517 -25.5339 -17.7346 GPRESSAVG: 73000 17.1833 -31.272 -14.7517 -27.5577 -38.6172 -25.2637 -18.496 -25.9791 -16.9809 TIMING: 73000 CPU: 212.265, 0.00286952/step Wall: 212.265, 0.00286952/step, 3.92725 hours remaining, 196.285156 MB of memory in use. ENERGY: 73000 723.8433 2055.5313 1969.9893 94.5352 -205969.5083 17807.4078 0.0000 0.0000 34170.2884 -149147.9129 298.4176 -183318.2013 -149050.8029 298.9333 116.4494 143.3558 556746.6979 -12.9124 -12.8049 PRESSURE: 73200 -28.4721 -223.915 -98.3922 -223.915 -191.947 -61.8271 -98.3925 -61.8271 -132.27 GPRESSURE: 73200 14.7696 -209.413 -19.9583 -193.851 -191.635 -148.305 -150.835 -50.9285 -66.1252 PRESSAVG: 73200 21.6863 -87.1379 7.41796 -87.138 13.7237 -11.4672 7.41798 -11.4672 -55.973 GPRESSAVG: 73200 21.6556 -85.6292 8.00379 -88.3431 13.9499 -10.9565 8.95965 -9.73666 -56.1733 TIMING: 73200 CPU: 212.843, 0.00289023/step Wall: 212.843, 0.00289023/step, 3.95544 hours remaining, 196.285156 MB of memory in use. ENERGY: 73200 759.4355 1989.3842 1962.4393 117.5674 -206131.1602 17685.0997 0.0000 0.0000 34339.1955 -149278.0386 299.8927 -183617.2340 -149185.1585 299.2461 -117.5629 -80.9969 557116.7508 -6.8543 -6.8559 PRESSURE: 73400 -398.965 -61.8386 -98.0977 -61.8396 -217.049 4.75593 -98.0975 4.75601 -305.815 GPRESSURE: 73400 -373.327 -48.5205 -90.2427 -93.92 -183.764 1.53959 -61.9891 7.19741 -258.155 PRESSAVG: 73400 72.1859 5.34278 -58.9996 5.34284 37.1456 12.3887 -58.9996 12.3888 -79.6588 GPRESSAVG: 73400 72.7198 3.59829 -59.0578 8.42575 37.7892 9.19303 -60.6784 12.0916 -80.3229 TIMING: 73400 CPU: 213.426, 0.00291481/step Wall: 213.426, 0.00291481/step, 3.98892 hours remaining, 196.285156 MB of memory in use. ENERGY: 73400 722.9390 2072.8377 1967.5311 123.7971 -206035.7540 17449.5425 0.0000 0.0000 34219.3323 -149479.7742 298.8459 -183699.1066 -149377.0630 298.6512 -307.2762 -271.7489 558181.6109 9.8909 10.0621 PRESSURE: 73600 -74.7755 112.005 -45.9712 112.005 1.1632 58.7615 -45.971 58.7631 -95.5406 GPRESSURE: 73600 -44.8853 157.21 -4.15205 119.909 33.7928 69.2919 -17.9396 84.4842 -66.211 PRESSAVG: 73600 47.1249 5.18879 -81.5803 5.18871 33.9102 14.433 -81.5803 14.4329 -70.5517 GPRESSAVG: 73600 47.3508 5.47288 -82.091 4.53858 33.0493 15.5437 -80.178 14.0442 -69.4148 TIMING: 73600 CPU: 214.004, 0.00289233/step Wall: 214.004, 0.00289233/step, 3.95799 hours remaining, 196.285156 MB of memory in use. ENERGY: 73600 730.8617 2092.6524 1982.5387 104.0437 -206681.7176 17877.7814 0.0000 0.0000 34167.8989 -149725.9407 298.3968 -183893.8396 -149625.8280 298.5685 -56.3843 -25.7678 557229.2310 3.4945 3.6618 PRESSURE: 73800 182.728 -184.002 -14.1376 -184.002 57.1101 91.1329 -14.1381 91.1334 68.9204 GPRESSURE: 73800 268.661 -158.219 82.6636 -115.364 82.9241 120.2 -1.63356 117.816 45.7345 PRESSAVG: 73800 20.5438 -4.08202 -20.3173 -4.08201 42.826 -24.1131 -20.3173 -24.1131 -49.8703 GPRESSAVG: 73800 19.705 -3.44679 -21.8956 -4.51891 43.1086 -22.6466 -19.6551 -26.6862 -49.1181 TIMING: 73800 CPU: 214.58, 0.00287802/step Wall: 214.58, 0.00287802/step, 3.93825 hours remaining, 196.671875 MB of memory in use. ENERGY: 73800 730.8120 2066.0122 1971.3213 109.1334 -206778.6016 18144.2304 0.0000 0.0000 34261.6977 -149495.3945 299.2159 -183757.0923 -149401.6584 298.4251 102.9196 132.4397 557936.2860 4.4999 4.5652 PRESSURE: 74000 113.506 -44.337 -36.9624 -44.3376 -179.622 -106.871 -36.9627 -106.87 1.86567 GPRESSURE: 74000 118.166 -60.8306 61.2239 -12.4815 -112.677 -178.743 -68.1155 -70.3222 29.7302 PRESSAVG: 74000 -28.2002 -20.9024 -11.1238 -20.9025 1.37852 -29.8818 -11.1239 -29.8819 19.8868 GPRESSAVG: 74000 -29.2247 -20.98 -9.10243 -23.7945 3.14298 -31.4845 -11.8987 -27.7813 19.2056 TIMING: 74000 CPU: 215.159, 0.0028934/step Wall: 215.159, 0.00289339/step, 3.95913 hours remaining, 196.671875 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: 74000 732.6778 2053.4578 1965.3091 112.4681 -206591.3763 18071.3727 0.0000 0.0000 34084.3810 -149571.7099 297.6674 -183656.0909 -149470.9936 298.8434 -21.4168 11.7397 557326.2987 -2.3116 -2.2920 PRESSURE: 74200 42.817 -115.927 -78.9856 -115.927 -406.625 55.2299 -78.9853 55.2299 -321.897 GPRESSURE: 74200 47.9517 -62.2619 -83.4262 -196.942 -370.448 182.629 -45.6233 -29.3409 -272.964 PRESSAVG: 74200 63.8957 -22.7962 14.676 -22.7962 -32.4535 -25.7282 14.676 -25.7283 -72.6852 GPRESSAVG: 74200 63.4114 -21.3913 14.2822 -21.0321 -33.0758 -24.7972 14.8721 -25.6827 -72.347 TIMING: 74200 CPU: 215.737, 0.00289032/step Wall: 215.737, 0.00289032/step, 3.95477 hours remaining, 196.671875 MB of memory in use. ENERGY: 74200 773.8935 2148.2133 1980.9551 128.7775 -206563.8887 17732.0154 0.0000 0.0000 34350.0162 -149450.0177 299.9872 -183800.0338 -149352.3207 298.4862 -228.5682 -198.4869 557800.6377 -13.7477 -14.0038 PRESSURE: 74400 39.147 -22.6239 79.863 -22.6244 119.552 116.975 79.863 116.974 14.0526 GPRESSURE: 74400 70.9539 -5.8256 229.391 71.1977 144.64 92.2186 -9.0585 159.368 47.9025 PRESSAVG: 74400 51.384 -78.9959 -17.9499 -78.9959 30.8871 16.6714 -17.9498 16.6715 -40.1251 GPRESSAVG: 74400 51.8342 -80.7097 -17.2281 -77.5421 31.3096 16.2623 -18.5701 15.6193 -40.7968 TIMING: 74400 CPU: 216.316, 0.00289827/step Wall: 216.316, 0.00289827/step, 3.96547 hours remaining, 196.671875 MB of memory in use. ENERGY: 74400 779.5558 2132.0972 1971.2596 122.8701 -206634.7221 18119.0612 0.0000 0.0000 34196.6048 -149313.2734 298.6475 -183509.8782 -149214.5026 298.7712 57.5840 87.8320 556649.9685 14.0487 14.1157 PRESSURE: 74600 227.318 165.193 -108.905 165.194 295.912 -21.3887 -108.905 -21.3886 -108.932 GPRESSURE: 74600 249.465 207.475 -121.059 133.24 329.065 -117.019 -213.697 133.124 -82.4029 PRESSAVG: 74600 23.1344 -40.9513 15.1056 -40.9513 0.957674 6.86252 15.1056 6.86255 -44.5367 GPRESSAVG: 74600 22.5037 -40.3433 13.4417 -40.9736 0.359961 6.26955 16.3184 8.27678 -43.8082 TIMING: 74600 CPU: 216.892, 0.00288096/step Wall: 216.892, 0.00288096/step, 3.94164 hours remaining, 196.671875 MB of memory in use. ENERGY: 74600 748.1610 2177.5969 1957.6785 113.6304 -206580.2864 17959.2446 0.0000 0.0000 34334.9561 -149289.0188 299.8557 -183623.9750 -149196.4449 298.7866 138.0992 165.3757 557427.9661 -6.8149 -6.9815 PRESSURE: 74800 -52.0262 -109.932 2.32184 -109.933 -280.181 -60.2309 2.3216 -60.2321 -86.5146 GPRESSURE: 74800 -74.7047 -12.7991 -4.42092 -147.912 -188.061 -131.439 47.7489 9.27267 -56.0022 PRESSAVG: 74800 46.5396 6.61058 12.9382 6.61045 -13.0052 -37.9434 12.9382 -37.9435 -37.1662 GPRESSAVG: 74800 47.3548 6.89082 12.0018 6.14082 -12.4402 -36.9483 12.4608 -38.872 -38.4485 TIMING: 74800 CPU: 217.474, 0.00290708/step Wall: 217.474, 0.00290708/step, 3.97721 hours remaining, 196.671875 MB of memory in use. ENERGY: 74800 763.2886 2112.4516 1950.2771 114.6541 -206168.3863 17670.0000 0.0000 0.0000 34241.3667 -149316.3481 299.0384 -183557.7148 -149225.3804 299.8777 -139.5739 -106.2560 558420.3357 -1.2106 -1.1780 PRESSURE: 75000 315.756 -74.9997 -215.263 -74.9992 -72.9514 77.2434 -215.262 77.2446 110.778 GPRESSURE: 75000 375.487 -54.9842 -171.049 -103.041 -24.7045 38.0997 -232.29 113.43 93.3143 PRESSAVG: 75000 -37.9968 -39.4191 -79.3082 -39.419 69.2507 38.4958 -79.3083 38.4958 -30.2263 GPRESSAVG: 75000 -37.5696 -40.2182 -79.0484 -39.7148 68.7343 37.4212 -79.1357 40.685 -30.3448 TIMING: 75000 CPU: 218.057, 0.00291452/step Wall: 218.057, 0.00291452/step, 3.98723 hours remaining, 196.671875 MB of memory in use. ENERGY: 75000 762.7095 2082.0145 1975.9405 106.4577 -206480.2281 17924.9903 0.0000 0.0000 34267.8535 -149360.2620 299.2697 -183628.1155 -149261.0242 299.1531 117.8610 148.0322 556503.4171 0.3425 0.2733 PRESSURE: 75200 -80.2754 11.2992 22.0817 11.2985 62.3706 -71.8764 22.0823 -71.877 -223.949 GPRESSURE: 75200 59.2773 82.0785 71.7947 28.392 -12.6368 -76.0564 72.255 -73.4144 -190.56 PRESSAVG: 75200 28.3765 -7.19976 -94.1422 -7.19977 2.2258 -1.19726 -94.1422 -1.19733 -13.6017 GPRESSAVG: 75200 28.2402 -4.22371 -92.0181 -7.3772 1.47119 -1.43791 -94.0795 -1.77498 -12.316 TIMING: 75200 CPU: 218.636, 0.00289628/step Wall: 218.636, 0.00289628/step, 3.96211 hours remaining, 196.671875 MB of memory in use. ENERGY: 75200 752.7908 2097.3416 1993.2220 118.3823 -206234.7393 17748.8517 0.0000 0.0000 34259.6423 -149264.5086 299.1980 -183524.1508 -149167.9449 299.1587 -80.6181 -47.9731 558047.6860 5.6669 5.7984 PRESSURE: 75400 76.4276 -79.1655 28.6695 -79.1656 72.09 -50.2024 28.6699 -50.2042 -164.301 GPRESSURE: 75400 44.6353 -119.472 -18.7392 -110.848 110.705 -106.94 126.218 5.94971 -80.1876 PRESSAVG: 75400 -0.585193 15.7644 -34.4408 15.7644 16.1235 18.4026 -34.4408 18.4026 39.8754 GPRESSAVG: 75400 -0.848852 15.17 -36.7066 14.8432 16.8232 18.8877 -32.9586 19.1046 39.2064 TIMING: 75400 CPU: 219.215, 0.00289256/step Wall: 219.215, 0.00289256/step, 3.95686 hours remaining, 196.671875 MB of memory in use. ENERGY: 75400 747.8646 2040.6743 1951.8539 116.9773 -206372.4637 17817.3850 0.0000 0.0000 34319.1002 -149378.6084 299.7172 -183697.7086 -149285.8100 299.3038 -5.2611 25.0508 557098.9324 18.4712 18.3936 PRESSURE: 75600 29.8602 144.558 -90.4681 144.559 -162.937 -74.9606 -90.4687 -74.9606 260.201 GPRESSURE: 75600 34.8436 169.889 -113.894 145.215 -74.7218 -27.4463 -47.0194 7.33819 264.168 PRESSAVG: 75600 -3.71512 48.1647 -10.2559 48.1647 0.333981 18.943 -10.256 18.943 -21.8957 GPRESSAVG: 75600 -3.84552 47.4721 -9.00247 50.4124 0.875152 20.4831 -10.7477 17.7269 -23.0208 TIMING: 75600 CPU: 219.794, 0.00289732/step Wall: 219.794, 0.00289732/step, 3.96322 hours remaining, 196.671875 MB of memory in use. ENERGY: 75600 731.2207 2075.8301 1953.2161 107.8764 -206525.4256 17861.4610 0.0000 0.0000 34304.0535 -149491.7678 299.5858 -183795.8213 -149393.4903 298.5569 42.3746 74.7632 556479.8411 -8.4256 -8.6637 PRESSURE: 75800 -112.871 -106.554 -95.9588 -106.553 -14.6879 -70.4863 -95.958 -70.4879 -186.231 GPRESSURE: 75800 -110.592 -12.0779 -109.171 -187 55.3659 -18.6912 -70.8247 -169.981 -162.602 PRESSAVG: 75800 27.0865 8.24202 -26.9884 8.24209 4.98242 -3.27477 -26.9885 -3.27484 -23.131 GPRESSAVG: 75800 27.0357 8.64332 -26.8079 5.74264 4.07134 -3.19693 -26.6759 -4.01918 -22.5188 TIMING: 75800 CPU: 220.372, 0.0028896/step Wall: 220.372, 0.0028896/step, 3.95249 hours remaining, 196.671875 MB of memory in use. ENERGY: 75800 745.2898 2136.3829 1969.9654 112.7144 -206446.8834 17732.9899 0.0000 0.0000 34279.5176 -149470.0234 299.3716 -183749.5411 -149373.6770 299.0027 -104.5966 -72.6092 557476.6751 2.9793 2.8627 PRESSURE: 76000 -104.92 96.7594 -171.507 96.76 -145.529 40.2563 -171.507 40.2555 -104.923 GPRESSURE: 76000 -105.909 152.88 -124.837 143.935 -63.2542 108.126 -139.065 17.982 -91.8486 PRESSAVG: 76000 60.6914 2.24199 -46.8036 2.24199 -17.342 -27.7332 -46.8035 -27.7332 12.5082 GPRESSAVG: 76000 59.1211 1.44421 -45.2594 1.76365 -16.3297 -28.7142 -49.5579 -26.2018 12.771 TIMING: 76000 CPU: 220.952, 0.00290205/step Wall: 220.952, 0.00290205/step, 3.96937 hours remaining, 196.671875 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: 76000 747.7593 2140.8341 1958.9000 107.1020 -206396.3962 17769.4937 0.0000 0.0000 34245.3648 -149426.9423 299.0733 -183672.3071 -149329.4041 299.1756 -118.4576 -87.0040 558121.1888 18.6192 18.5208 PRESSURE: 76200 -109.044 27.6427 -107.216 27.644 -30.2401 20.9128 -107.216 20.9116 -295.854 GPRESSURE: 76200 -155.984 18.6245 -68.4837 20.1656 58.5883 7.96028 -171.865 119.627 -233.95 PRESSAVG: 76200 -12.0053 20.7817 -48.2552 20.7817 -2.26756 15.4124 -48.2552 15.4124 26.6557 GPRESSAVG: 76200 -11.3168 20.0544 -48.7585 22.4299 -3.49073 16.2775 -47.55 16.3391 26.8557 TIMING: 76200 CPU: 221.535, 0.00291555/step Wall: 221.535, 0.00291555/step, 3.98766 hours remaining, 196.671875 MB of memory in use. ENERGY: 76200 804.2096 2106.0006 1970.5663 112.8270 -206574.2575 17946.6368 0.0000 0.0000 34087.0166 -149547.0006 297.6904 -183634.0172 -149458.1020 299.2776 -145.0461 -110.4486 558414.3418 4.1276 4.0160 LDB: ============= START OF LOAD BALANCING ============== 225.001 LDB: ============== END OF LOAD BALANCING =============== 225.001 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 225.003 LDB: ============= START OF LOAD BALANCING ============== 225.297 LDB: Largest compute 4827 load 0.027307 is 23.3% of average load 0.117279 LDB: Average compute 0.001724 is 1.5% of average load 0.117279 LDB: TIME 225.299 LOAD: AVG 0.117279 MAX 0.176254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 197.445 MB LDB: TIME 225.3 LOAD: AVG 0.117279 MAX 0.176254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.648 MB LDB: TIME 225.3 LOAD: AVG 0.117279 MAX 0.176254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 225.302 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 225.306 PRESSURE: 76400 94.1497 -114.845 -3.35912 -114.845 196.912 -6.15416 -3.36037 -6.15251 16.1867 GPRESSURE: 76400 104.569 -109.131 -2.30309 -113.53 194.648 -69.6137 22.6012 -29.9264 103.682 PRESSAVG: 76400 -14.1265 1.02613 -38.2925 1.02612 -11.9242 -45.0991 -38.2925 -45.0991 19.7358 GPRESSAVG: 76400 -14.0704 2.03722 -38.3653 -1.2683 -12.2919 -47.6497 -37.1114 -45.63 20.575 TIMING: 76400 CPU: 222.131, 0.00297541/step Wall: 222.131, 0.00297541/step, 4.06937 hours remaining, 200.011719 MB of memory in use. ENERGY: 76400 728.4334 2134.6521 1989.2661 114.2787 -206641.1559 18105.8510 0.0000 0.0000 34245.7833 -149322.8914 299.0769 -183568.6747 -149223.4705 299.0127 102.4162 134.2999 558541.1209 -2.1050 -1.9291 PRESSURE: 76600 22.4563 -113.473 31.6263 -113.474 -23.5171 -182.406 31.6264 -182.405 -17.2266 GPRESSURE: 76600 65.9069 -154.881 127.96 -105.185 23.9217 -183.918 64.4026 -214.034 -4.30699 PRESSAVG: 76600 0.590007 25.326 29.1271 25.326 41.3391 -47.0546 29.1271 -47.0546 -69.4656 GPRESSAVG: 76600 0.68626 24.4992 29.2181 26.487 42.9711 -45.7527 27.8863 -47.526 -71.1574 TIMING: 76600 CPU: 222.712, 0.00290782/step Wall: 222.712, 0.00290782/step, 3.97677 hours remaining, 200.082031 MB of memory in use. ENERGY: 76600 738.9156 2118.3391 1970.0551 118.8260 -206233.5579 17822.1084 0.0000 0.0000 34276.0488 -149189.2648 299.3413 -183465.3136 -149090.5875 299.1162 -6.0958 28.5072 557590.7759 -9.1788 -9.1667 PRESSURE: 76800 -160.061 24.917 -91.3633 24.9166 -50.1933 38.2159 -91.3642 38.2162 -136.851 GPRESSURE: 76800 -116.138 72.9278 -60.4729 -43.4848 32.1764 100.946 -123.945 -25.0101 -164.119 PRESSAVG: 76800 45.4841 11.323 -73.6337 11.323 -21.5938 -30.595 -73.6338 -30.5951 20.4265 GPRESSAVG: 76800 45.7824 13.6207 -75.3767 11.7039 -23.0446 -30.8775 -71.0196 -30.19 21.9335 TIMING: 76800 CPU: 223.298, 0.00292932/step Wall: 223.298, 0.00292932/step, 4.00601 hours remaining, 200.082031 MB of memory in use. ENERGY: 76800 730.3206 2131.7224 1977.3820 132.1502 -205739.4830 17542.4353 0.0000 0.0000 34119.0551 -149106.4174 297.9702 -183225.4725 -149007.2911 299.4328 -115.7020 -82.6935 558554.7582 14.7723 14.8904 PRESSURE: 77000 69.0241 31.5258 -35.2355 31.5252 162.2 -152.422 -35.2358 -152.421 86.0621 GPRESSURE: 77000 112.397 65.6131 -48.281 -4.59121 145.735 -117.524 51.1752 -196.074 147.649 PRESSAVG: 77000 -27.3143 37.3208 -18.6381 37.3209 54.8601 1.06233 -18.638 1.06234 -10.2854 GPRESSAVG: 77000 -25.2999 33.0272 -16.7759 39.1572 54.9671 0.251126 -19.9583 0.521523 -11.8515 TIMING: 77000 CPU: 223.882, 0.00291966/step Wall: 223.882, 0.00291966/step, 3.99263 hours remaining, 200.082031 MB of memory in use. ENERGY: 77000 729.3021 2057.5826 1972.1639 122.2300 -206146.5435 17841.1598 0.0000 0.0000 34357.9492 -149066.1558 300.0565 -183424.1050 -148966.6997 299.1540 105.7622 135.2606 558164.0267 5.7535 5.9386 PRESSURE: 77200 75.014 -251.33 -102.434 -251.33 -4.88588 55.3004 -102.435 55.3012 69.2827 GPRESSURE: 77200 70.8802 -244.833 -130.066 -299.828 101.115 -30.5754 -66.1651 132.906 73.251 PRESSAVG: 77200 3.62164 -36.04 -53.9408 -36.0399 27.0684 -13.5661 -53.9409 -13.566 -42.1105 GPRESSAVG: 77200 1.53351 -33.8285 -52.7056 -35.684 27.7414 -10.5369 -55.4832 -13.6616 -40.7509 TIMING: 77200 CPU: 224.469, 0.00293719/step Wall: 224.469, 0.00293719/step, 4.01644 hours remaining, 200.082031 MB of memory in use. ENERGY: 77200 726.9779 2120.5892 1963.0019 116.2923 -206108.7182 17883.9747 0.0000 0.0000 34213.0438 -149084.8382 298.7910 -183297.8820 -148992.2080 299.1463 46.4703 81.7488 558238.6953 -3.8068 -3.8253 PRESSURE: 77400 -56.7598 -134.211 -89.826 -134.211 -48.2978 -41.4626 -89.8256 -41.4612 -361.168 GPRESSURE: 77400 24.2948 -175.337 -166.348 -104.005 -46.5063 -69.1056 -82.8923 -1.6856 -355.426 PRESSAVG: 77400 -31.4719 40.928 -5.3632 40.928 52.5946 32.0504 -5.36326 32.0504 12.2296 GPRESSAVG: 77400 -30.7825 39.7973 -7.00096 38.8156 51.4267 29.7989 -5.09353 31.1097 12.3823 TIMING: 77400 CPU: 225.057, 0.00293878/step Wall: 225.057, 0.00293878/step, 4.01845 hours remaining, 200.082031 MB of memory in use. ENERGY: 77400 801.2859 2127.0660 1984.0908 128.3367 -205573.8623 17581.8814 0.0000 0.0000 34073.5508 -148877.6509 297.5728 -182951.2016 -148785.7934 299.7496 -155.4086 -125.8791 557366.9089 11.1175 11.0089 PRESSURE: 77600 -50.985 -52.7948 -25.7629 -52.7942 -32.9704 49.415 -25.7635 49.4149 -0.963784 GPRESSURE: 77600 -19.1109 -84.2557 -76.8636 -110.012 -21.7094 68.4624 -36.2895 12.9042 50.7777 PRESSAVG: 77600 10.4376 -34.6188 3.97504 -34.6187 41.4255 46.7476 3.97508 46.7476 -54.8016 GPRESSAVG: 77600 10.583 -34.2358 3.75409 -33.7507 42.7317 46.3348 5.78775 47.1942 -55.9381 TIMING: 77600 CPU: 225.638, 0.00290488/step Wall: 225.638, 0.00290488/step, 3.97193 hours remaining, 200.082031 MB of memory in use. ENERGY: 77600 750.8094 2178.9171 1992.0504 127.0204 -205963.6194 17772.2275 0.0000 0.0000 34010.7672 -149131.8276 297.0245 -183142.5948 -149034.8438 299.7593 -28.3064 3.3191 557297.2717 -0.9795 -0.8744 PRESSURE: 77800 -61.2641 -192.109 134.598 -192.11 33.6106 -19.6609 134.597 -19.6609 277.535 GPRESSURE: 77800 -47.992 -198.936 203.636 -257.038 50.4543 40.4405 170.9 39.5506 349.314 PRESSAVG: 77800 -12.8207 -0.957244 -22.4252 -0.957296 44.5549 22.6143 -22.4252 22.6143 26.3196 GPRESSAVG: 77800 -14.4462 -0.198736 -23.0422 -2.60278 45.1915 24.7502 -23.3143 21.4044 27.6188 TIMING: 77800 CPU: 226.216, 0.00289065/step Wall: 226.216, 0.00289065/step, 3.95232 hours remaining, 200.082031 MB of memory in use. ENERGY: 77800 715.0623 2149.0981 1939.6056 130.2128 -205876.1763 17668.7762 0.0000 0.0000 34322.1493 -148951.2719 299.7439 -183273.4212 -148846.9993 300.0909 83.2938 117.2589 557341.4996 19.3513 19.4547 PRESSURE: 78000 -192.006 71.9942 -93.8803 71.9954 78.0627 59.2131 -93.8813 59.2106 -40.658 GPRESSURE: 78000 -111.451 59.5661 -51.0387 -18.6759 77.0269 -17.569 -106.267 81.8993 -9.09685 PRESSAVG: 78000 -36.824 29.6647 -39.8074 29.6647 51.2433 -28.3117 -39.8073 -28.3117 -29.9018 GPRESSAVG: 78000 -35.8728 28.6019 -39.7183 30.0872 50.6398 -30.5051 -38.654 -27.3279 -30.8919 TIMING: 78000 CPU: 226.798, 0.00290874/step Wall: 226.798, 0.00290874/step, 3.97689 hours remaining, 200.082031 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: 78000 743.4328 2133.6961 1980.1190 124.1018 -206236.9209 17844.4671 0.0000 0.0000 34551.2017 -148859.9024 301.7442 -183411.1041 -148763.8826 300.4943 -51.5339 -14.5069 557575.2519 -5.1608 -5.3750 PRESSURE: 78200 207.509 -73.8208 76.4357 -73.8208 -149.916 199.268 76.4364 199.269 145.869 GPRESSURE: 78200 250.206 -26.2833 81.616 -60.0362 -173.172 225.153 93.3575 159.55 237.467 PRESSAVG: 78200 -40.7877 -2.75425 -35.5508 -2.7542 -1.12146 57.7481 -35.5508 57.7481 76.1538 GPRESSAVG: 78200 -41.1407 -1.84157 -35.6691 -2.26434 -1.15299 56.6529 -35.829 59.9772 76.3525 TIMING: 78200 CPU: 227.379, 0.00290358/step Wall: 227.379, 0.00290358/step, 3.96968 hours remaining, 200.082031 MB of memory in use. ENERGY: 78200 777.5737 2111.3742 1958.2307 117.6735 -206000.7120 17888.4090 0.0000 0.0000 34266.5844 -148880.8665 299.2586 -183147.4509 -148793.1267 301.4320 67.8206 104.8336 558159.5841 11.4149 11.3529 PRESSURE: 78400 -54.3227 -12.302 58.6542 -12.3014 -159.502 85.8098 58.6533 85.8102 -380.099 GPRESSURE: 78400 -102.758 23.4905 13.1414 -98.8412 -64.4223 3.7587 76.8961 62.9619 -321.846 PRESSAVG: 78400 22.443 12.0717 -3.37611 12.0717 -5.96343 -8.5278 -3.37617 -8.52788 -7.49464 GPRESSAVG: 78400 22.5097 14.2058 -4.05883 11.7092 -5.2547 -3.52636 -5.76033 -12.1148 -7.68486 TIMING: 78400 CPU: 227.958, 0.00289494/step Wall: 227.958, 0.00289494/step, 3.9577 hours remaining, 200.082031 MB of memory in use. ENERGY: 78400 768.8817 2074.4880 1936.1261 109.5639 -205618.8469 17572.3072 0.0000 0.0000 34168.3107 -148989.1694 298.4004 -183157.4801 -148896.6439 300.3017 -197.9744 -163.0088 559032.4082 2.9950 3.1900 PRESSURE: 78600 -30.1026 84.1574 -83.3763 84.157 173.67 55.4919 -83.3756 55.4933 0.569275 GPRESSURE: 78600 -15.2137 76.7411 -99.1832 -2.32885 181.684 25.8932 -31.5028 147.271 64.156 PRESSAVG: 78600 11.7656 -19.2718 -14.0539 -19.2718 -17.0117 16.1649 -14.0539 16.1649 -13.1943 GPRESSAVG: 78600 11.7306 -21.5133 -14.7005 -19.8644 -18.4319 12.5808 -11.1289 17.0496 -12.1231 TIMING: 78600 CPU: 228.535, 0.00288598/step Wall: 228.535, 0.00288598/step, 3.9453 hours remaining, 200.082031 MB of memory in use. ENERGY: 78600 775.9112 2078.5114 1985.7103 125.5045 -205976.5430 17818.9594 0.0000 0.0000 34155.9720 -149035.9743 298.2926 -183191.9463 -148938.3426 300.0163 48.0455 76.8755 557076.4828 -6.1468 -6.2748 PRESSURE: 78800 215.303 -84.9955 104.818 -84.9958 -62.2717 -134.677 104.817 -134.678 -114.906 GPRESSURE: 78800 234.003 -102.682 145.679 -80.4046 -6.95478 -167.77 75.9249 -105.652 -91.2053 PRESSAVG: 78800 20.7335 -44.1112 24.7335 -44.1112 66.8046 -7.54992 24.7334 -7.55 -88.6757 GPRESSAVG: 78800 20.6631 -45.4535 26.2854 -42.6547 66.5135 -6.45589 21.3244 -8.48006 -89.0544 TIMING: 78800 CPU: 229.114, 0.00289622/step Wall: 229.114, 0.00289622/step, 3.95914 hours remaining, 200.082031 MB of memory in use. ENERGY: 78800 739.9837 2133.5258 1975.6163 125.9398 -205789.9535 17610.4563 0.0000 0.0000 34008.0368 -149196.3947 297.0006 -183204.4316 -149097.7232 298.8174 12.7085 45.2810 557467.3535 -0.3792 -0.6259 PRESSURE: 79000 2.57219 -35.3887 -161.603 -35.3891 -230.028 -52.1972 -161.602 -52.1993 2.33436 GPRESSURE: 79000 119.002 -68.0488 -150.126 -109.988 -227.167 6.18909 -105.074 -83.8841 -7.32342 PRESSAVG: 79000 -3.44623 0.44756 30.4897 0.447556 -4.73431 63.0071 30.4897 63.007 43.5494 GPRESSAVG: 79000 -2.96993 1.47154 29.0245 1.08571 -4.68468 63.5652 33.7773 64.2353 43.2375 TIMING: 79000 CPU: 229.694, 0.00290032/step Wall: 229.694, 0.00290032/step, 3.96458 hours remaining, 200.082031 MB of memory in use. ENERGY: 79000 738.1408 2085.9571 1957.3287 113.2151 -206089.2625 17816.5076 0.0000 0.0000 34180.2640 -149197.8491 298.5047 -183378.1131 -149096.4018 298.2215 -75.0404 -38.4961 558700.1270 11.7896 11.8610 PRESSURE: 79200 -26.5289 20.3922 69.6011 20.3931 159.631 -161.114 69.6018 -161.113 165.997 GPRESSURE: 79200 -3.8596 -23.6825 106.811 53.1113 186.863 -208.919 45.8703 -129.612 215.585 PRESSAVG: 79200 -22.4468 1.19293 30.06 1.19294 -12.5576 -25.7881 30.0601 -25.7882 43.1237 GPRESSAVG: 79200 -23.0541 -0.0430287 30.5038 2.01349 -13.0912 -26.4009 30.0246 -25.8994 43.8753 TIMING: 79200 CPU: 230.273, 0.00289267/step Wall: 230.273, 0.00289267/step, 3.95396 hours remaining, 200.082031 MB of memory in use. ENERGY: 79200 717.6583 2058.2746 1954.3113 116.4610 -206710.0471 18182.8160 0.0000 0.0000 34508.7128 -149171.8130 301.3732 -183680.5258 -149078.9934 299.4226 99.6995 132.8627 557641.5402 2.7064 2.5767 PRESSURE: 79400 -138.461 -49.9561 -63.725 -49.957 -104.138 -29.6119 -63.7255 -29.6105 -303.364 GPRESSURE: 79400 -123.353 -96.6316 -131.988 7.63378 -78.1066 -79.0984 -75.574 10.1939 -241.697 PRESSAVG: 79400 18.3651 -5.30405 -9.58315 -5.30395 -28.2337 -23.9922 -9.58312 -23.9922 19.0216 GPRESSAVG: 79400 18.4346 -4.28768 -10.6558 -6.16146 -27.3113 -22.6932 -11.0842 -23.6054 18.7883 TIMING: 79400 CPU: 230.849, 0.00287944/step Wall: 230.849, 0.00287944/step, 3.93572 hours remaining, 200.082031 MB of memory in use. ENERGY: 79400 746.1311 2140.0837 1959.1092 122.2570 -205992.6630 17712.5951 0.0000 0.0000 34342.5349 -148969.9520 299.9219 -183312.4869 -148868.6605 299.8063 -181.9878 -147.7189 558987.4733 3.0510 3.3039 PRESSURE: 79600 -147.991 32.6344 -87.8903 32.6344 -112.394 63.5788 -87.8905 63.5799 -2.24428 GPRESSURE: 79600 -152.491 18.1623 -63.4307 -28.3288 -83.3225 -72.4778 -87.9919 90.4641 82.5842 PRESSAVG: 79600 -36.7129 -35.9866 -20.249 -35.9867 42.8979 44.4628 -20.2489 44.4627 0.482033 GPRESSAVG: 79600 -36.788 -35.4128 -18.3133 -35.5056 42.7642 41.5009 -20.4198 47.0738 0.428591 TIMING: 79600 CPU: 231.427, 0.00289442/step Wall: 231.427, 0.00289442/step, 3.95602 hours remaining, 200.082031 MB of memory in use. ENERGY: 79600 710.8377 2103.9096 1949.6507 118.7611 -206096.5720 17776.5536 0.0000 0.0000 34387.8728 -149048.9864 300.3178 -183436.8592 -148952.6289 299.9427 -87.5434 -51.0764 559399.0133 2.2223 2.1349 PRESSURE: 79800 -63.1721 135.89 -6.54137 135.89 -148.643 40.8107 -6.54133 40.8092 -34.5134 GPRESSURE: 79800 -5.93754 136.494 35.7959 142.951 -114.334 136.662 -75.8998 78.1592 -30.9775 PRESSAVG: 79800 28.6765 44.9006 20.4802 44.9006 14.5276 40.8035 20.4802 40.8036 -32.4184 GPRESSAVG: 79800 28.7956 44.1491 20.925 44.4363 14.1238 42.6406 20.2416 37.2646 -32.3857 TIMING: 79800 CPU: 232.009, 0.00291015/step Wall: 232.009, 0.00291015/step, 3.97737 hours remaining, 200.082031 MB of memory in use. ENERGY: 79800 764.3262 2111.4238 1974.4515 120.6812 -205971.4419 17757.6390 0.0000 0.0000 34240.2950 -149002.6253 299.0290 -183242.9202 -148900.6647 299.3733 -82.1095 -50.4164 559108.3980 3.5953 3.5112 PRESSURE: 80000 22.3417 75.3285 -80.8109 75.3288 153.25 -42.9611 -80.8116 -42.9612 -102.425 GPRESSURE: 80000 73.5386 38.9417 -7.17467 34.7802 199.887 25.6176 -173.434 -25.5771 -99.6405 PRESSAVG: 80000 96.0386 10.5729 38.778 10.573 -8.75917 7.31464 38.778 7.31444 -85.8657 GPRESSAVG: 80000 96.7249 10.5403 38.944 10.2555 -9.56435 6.69722 38.8144 8.12754 -86.5055 TIMING: 80000 CPU: 232.597, 0.00293582/step Wall: 232.597, 0.00293582/step, 4.01229 hours remaining, 200.082031 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: 80000 717.9443 2128.7651 1958.6411 113.6852 -206423.7389 18016.0938 0.0000 0.0000 34416.0213 -149072.5882 300.5637 -183488.6095 -148983.6106 300.0978 24.3892 57.9283 558087.5279 0.4712 0.2183 PRESSURE: 80200 181.238 -3.16978 129.545 -3.1689 372.297 29.5169 129.546 29.5176 31.5952 GPRESSURE: 80200 214.606 -108.22 142.46 118.903 378.782 15.9384 87.1049 -8.65459 80.5986 PRESSAVG: 80200 -23.7252 53.1426 24.207 53.1427 -30.5339 21.4037 24.2071 21.4037 21.6703 GPRESSAVG: 80200 -23.973 54.089 25.8554 52.6643 -29.838 20.0759 22.5167 22.7194 21.4399 TIMING: 80200 CPU: 233.178, 0.00290835/step Wall: 233.178, 0.00290835/step, 3.97458 hours remaining, 200.082031 MB of memory in use. ENERGY: 80200 773.1288 2096.9171 1974.0299 106.2354 -206470.1965 18169.9492 0.0000 0.0000 34125.6083 -149224.3278 298.0274 -183349.9361 -149133.8677 299.5738 195.0434 224.6624 556842.8342 -10.8629 -10.7904 LDB: ============= START OF LOAD BALANCING ============== 236.648 LDB: ============== END OF LOAD BALANCING =============== 236.648 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 236.649 LDB: ============= START OF LOAD BALANCING ============== 236.939 LDB: Largest compute 4827 load 0.026528 is 22.6% of average load 0.117312 LDB: Average compute 0.001720 is 1.5% of average load 0.117312 LDB: TIME 236.941 LOAD: AVG 0.117312 MAX 0.178411 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.27 MB LDB: TIME 236.942 LOAD: AVG 0.117312 MAX 0.178411 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.488 MB LDB: TIME 236.942 LOAD: AVG 0.117312 MAX 0.178411 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 196.488 MB LDB: ============== END OF LOAD BALANCING =============== 236.944 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 236.948 PRESSURE: 80400 51.5491 -96.4348 90.0077 -96.4357 179.875 -20.9913 90.008 -20.9915 270.358 GPRESSURE: 80400 89.0203 -180.732 114.698 -104.239 251.292 -62.7448 94.3078 58.1276 271.266 PRESSAVG: 80400 -18.7704 28.467 10.3974 28.467 48.1337 -8.8506 10.3974 -8.85061 14.4825 GPRESSAVG: 80400 -20.2622 26.5754 10.212 31.71 48.647 -8.94044 11.5734 -9.29285 16.0352 TIMING: 80400 CPU: 233.772, 0.00296993/step Wall: 233.772, 0.00296993/step, 4.05858 hours remaining, 197.496094 MB of memory in use. ENERGY: 80400 738.6926 2180.4787 1975.2012 106.7076 -206311.7661 17986.7731 0.0000 0.0000 34085.3827 -149238.5302 297.6761 -183323.9129 -149136.9126 299.1805 167.2606 203.8594 556929.6647 14.6153 14.8067 PRESSURE: 80600 -177.157 21.0297 -48.5029 21.0288 -304.444 14.1385 -48.5025 14.1372 -522.674 GPRESSURE: 80600 -106.929 -1.36304 -96.29 2.68099 -335.559 104.31 49.3727 72.0233 -464.038 PRESSAVG: 80600 -8.80735 -27.3971 -2.22213 -27.397 41.6105 -29.6127 -2.22208 -29.6128 26.5442 GPRESSAVG: 80600 -6.59778 -24.4146 -6.19024 -30.8004 41.965 -29.9216 1.22694 -29.8104 23.789 TIMING: 80600 CPU: 234.353, 0.00290588/step Wall: 234.353, 0.00290588/step, 3.97089 hours remaining, 197.699219 MB of memory in use. ENERGY: 80600 779.1542 2115.4390 1927.4929 124.5824 -205745.5096 17400.9520 0.0000 0.0000 34114.5259 -149283.3633 297.9306 -183397.8892 -149190.8114 299.0430 -334.7581 -302.1756 557971.3330 19.7825 19.7187 PRESSURE: 80800 -141.052 72.8997 -72.4179 72.8999 -125.008 -139.355 -72.4176 -139.356 57.1881 GPRESSURE: 80800 -84.4874 21.6251 -56.3545 9.07479 -65.6337 -304.785 -33.8327 -85.2904 38.8146 PRESSAVG: 80800 39.8107 -56.7335 12.8782 -56.7335 -7.47398 -28.8732 12.8782 -28.8731 -36.7368 GPRESSAVG: 80800 39.7936 -57.5485 16.1889 -56.35 -7.80588 -29.31 7.4607 -29.8704 -36.2454 TIMING: 80800 CPU: 234.937, 0.00291569/step Wall: 234.937, 0.00291569/step, 3.98413 hours remaining, 197.699219 MB of memory in use. ENERGY: 80800 752.6281 2083.8704 1961.6945 108.4561 -206320.6552 17796.2927 0.0000 0.0000 34182.4069 -149435.3067 298.5235 -183617.7135 -149346.7673 298.8108 -69.6239 -37.1022 556932.8602 -1.4667 -1.4192 PRESSURE: 81000 -251.948 136.097 188.066 136.098 -172.524 124.802 188.065 124.801 -204.321 GPRESSURE: 81000 -198.046 -3.93099 242.498 120.511 -149.789 230.408 215.056 65.2498 -175.021 PRESSAVG: 81000 37.8117 -12.1952 24.4204 -12.1951 -0.616258 12.9711 24.4204 12.971 -23.9517 GPRESSAVG: 81000 36.5869 -13.7283 23.1066 -11.713 -0.79556 13.9371 26.1177 12.977 -22.6599 TIMING: 81000 CPU: 235.518, 0.00290701/step Wall: 235.518, 0.00290701/step, 3.97211 hours remaining, 197.699219 MB of memory in use. ENERGY: 81000 758.8579 2082.3557 1947.8003 97.2854 -206344.8135 17729.2052 0.0000 0.0000 34211.6226 -149517.6863 298.7786 -183729.3089 -149420.6600 298.8583 -209.5979 -174.2853 556520.7237 4.4146 4.3772 PRESSURE: 81200 21.9252 16.3414 54.4662 16.342 -7.43073 3.43342 54.4664 3.43381 23.9678 GPRESSURE: 81200 23.678 23.1041 92.6386 -45.2547 34.6339 37.6059 38.3533 -64.1187 73.0386 PRESSAVG: 81200 22.2536 3.27052 27.9157 3.27068 -16.6381 67.7416 27.9156 67.7416 2.81592 GPRESSAVG: 81200 22.5181 3.3044 29.3034 3.04367 -15.6831 68.6377 30.0801 68.5736 1.81294 TIMING: 81200 CPU: 236.101, 0.00291294/step Wall: 236.101, 0.00291294/step, 3.98004 hours remaining, 197.699219 MB of memory in use. ENERGY: 81200 741.2124 2160.7420 1964.3290 107.7782 -206399.6928 17917.5243 0.0000 0.0000 34022.0842 -149486.0226 297.1233 -183508.1068 -149387.4354 297.7936 12.8208 43.7835 558328.3852 2.8105 2.8827 PRESSURE: 81400 -246.526 -58.9194 98.9906 -58.9208 -85.0993 106.618 98.9921 106.618 -306.46 GPRESSURE: 81400 -243.228 -71.9502 19.8424 -106.005 -38.1453 72.63 192.438 74.1435 -250.593 PRESSAVG: 81400 -78.2678 -20.961 13.6283 -20.9611 70.4005 24.1702 13.6284 24.1702 24.3722 GPRESSAVG: 81400 -77.2318 -19.4822 12.3497 -21.4402 69.2283 24.1648 12.1601 23.7782 24.3935 TIMING: 81400 CPU: 236.679, 0.00289011/step Wall: 236.679, 0.00289011/step, 3.94869 hours remaining, 197.699219 MB of memory in use. ENERGY: 81400 738.9444 2069.2068 1956.1919 105.8744 -205913.5955 17469.7599 0.0000 0.0000 34113.8528 -149459.7654 297.9248 -183573.6181 -149360.4332 298.5923 -212.6952 -177.3220 558207.3287 5.5016 5.4633 PRESSURE: 81600 25.2012 18.5212 -88.2867 18.5206 140.801 -27.1933 -88.2861 -27.1921 -71.9506 GPRESSURE: 81600 56.474 5.19469 23.5318 30.5271 141.013 -104.027 -128.15 30.8509 3.60988 PRESSAVG: 81600 -20.3224 20.588 17.5378 20.5881 -13.2197 -44.4654 17.5378 -44.4652 26.7114 GPRESSAVG: 81600 -21.6075 18.4508 17.554 20.4555 -11.371 -43.6802 17.2835 -45.3308 26.0511 TIMING: 81600 CPU: 237.26, 0.00290873/step Wall: 237.26, 0.00290873/step, 3.97397 hours remaining, 197.699219 MB of memory in use. ENERGY: 81600 732.2597 2164.3202 1978.3128 102.2326 -206729.2893 18063.4592 0.0000 0.0000 34186.5287 -149502.1761 298.5595 -183688.7048 -149417.8587 298.3904 31.3506 67.0323 557502.0889 -2.2769 -2.3091 PRESSURE: 81800 -211.093 -24.608 47.6036 -24.6067 66.9401 -14.2403 47.604 -14.2397 200.374 GPRESSURE: 81800 -155.076 -66.0712 -56.6697 55.0331 71.3877 -91.5838 11.1421 21.4836 237.316 PRESSAVG: 81800 -67.956 -32.5389 -59.7293 -32.5389 -18.9081 -12.0909 -59.7293 -12.0907 73.8482 GPRESSAVG: 81800 -67.3481 -33.6931 -60.1535 -32.1642 -21.0304 -15.0588 -59.4852 -9.07949 75.1972 TIMING: 81800 CPU: 237.846, 0.00292701/step Wall: 237.846, 0.00292701/step, 3.99878 hours remaining, 197.699219 MB of memory in use. ENERGY: 81800 747.1789 2080.4232 1970.5986 121.8688 -206094.2727 17840.6848 0.0000 0.0000 34018.9318 -149314.5865 297.0958 -183333.5183 -149217.5213 298.8891 18.7406 51.2093 556861.6080 -4.3386 -4.3938 PRESSURE: 82000 64.3482 14.2743 -72.1259 14.274 -208.127 -27.6911 -72.1263 -27.691 -12.465 GPRESSURE: 82000 97.1756 4.81334 -66.5084 -52.4679 -155.012 -64.9412 -88.7782 -78.0845 -1.6835 PRESSAVG: 82000 -38.7037 5.73551 5.45566 5.73557 -45.7338 -44.0499 5.4556 -44.0498 85.7576 GPRESSAVG: 82000 -38.4504 6.24639 6.62257 6.38249 -46.0664 -42.4139 5.47493 -45.1438 85.7922 TIMING: 82000 CPU: 238.428, 0.00291244/step Wall: 238.428, 0.00291244/step, 3.97872 hours remaining, 197.699219 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: 82000 757.7422 2139.3444 1999.5442 102.5544 -205906.2414 17607.5591 0.0000 0.0000 34161.2502 -149138.2469 298.3387 -183299.4971 -149039.6522 299.2334 -52.0812 -19.8400 557827.4926 0.4401 0.4251 PRESSURE: 82200 -42.48 -155.635 -80.5027 -155.636 -120.231 114.709 -80.5025 114.711 -7.58844 GPRESSURE: 82200 14.3445 -155.895 -47.5873 -180.984 -118.158 188.042 -168.697 15.5529 29.1661 PRESSAVG: 82200 36.6609 -24.3577 -36.377 -24.3577 -51.1363 31.866 -36.377 31.866 4.9906 GPRESSAVG: 82200 35.6873 -23.5399 -37.5894 -24.3904 -49.9033 31.3239 -37.123 30.6418 4.37125 TIMING: 82200 CPU: 239.01, 0.0029069/step Wall: 239.01, 0.0029069/step, 3.97099 hours remaining, 197.699219 MB of memory in use. ENERGY: 82200 743.9082 2069.7068 1958.9870 110.9136 -206187.9122 17769.1220 0.0000 0.0000 34136.8213 -149398.4534 298.1254 -183535.2747 -149306.1043 298.0174 -56.7665 -24.8826 556520.7467 -3.1616 -3.2816 PRESSURE: 82400 121.824 95.0478 44.6144 95.0484 -195.857 48.3919 44.6129 48.3917 -110.761 GPRESSURE: 82400 79.0813 63.0719 123.965 87.4926 -131.514 47.2696 -59.2579 7.60129 -26.5981 PRESSAVG: 82400 62.3728 5.33156 24.1292 5.33158 -38.1853 -24.9261 24.1292 -24.926 -25.2681 GPRESSAVG: 82400 62.8058 5.2334 24.9366 5.61179 -38.8585 -23.588 22.4381 -24.3944 -25.1395 TIMING: 82400 CPU: 239.595, 0.00292849/step Wall: 239.595, 0.00292849/step, 4.00031 hours remaining, 197.699219 MB of memory in use. ENERGY: 82400 723.8202 2165.0715 1967.4340 109.6580 -206186.4527 17652.4833 0.0000 0.0000 34227.8927 -149340.0930 298.9207 -183567.9857 -149245.2059 298.4553 -61.5982 -26.3438 556434.7944 -0.3602 -0.3974 PRESSURE: 82600 28.3144 -158.264 -28.4552 -158.263 -194.453 8.58996 -28.4575 8.58995 -306.872 GPRESSURE: 82600 44.0394 -226.48 44.3053 -61.7445 -139.035 -3.54373 -32.1955 56.2257 -285.374 PRESSAVG: 82600 37.0349 -0.0822298 27.4306 -0.0823235 -12.9166 -2.11043 27.4306 -2.11044 27.1446 GPRESSAVG: 82600 36.0527 0.792627 26.4348 -1.86316 -13.5218 -1.19122 30.1024 -2.86943 28.0967 TIMING: 82600 CPU: 240.18, 0.00292229/step Wall: 240.18, 0.00292229/step, 3.99169 hours remaining, 197.699219 MB of memory in use. ENERGY: 82600 748.2487 2123.5132 1963.7808 114.5920 -205998.6929 17562.8364 0.0000 0.0000 34203.2590 -149282.4626 298.7056 -183485.7217 -149190.7533 298.6435 -157.6699 -126.7899 557639.0820 17.0877 16.8759 PRESSURE: 82800 46.5094 104.077 -114.858 104.076 -87.3676 24.9523 -114.858 24.9531 -108.558 GPRESSURE: 82800 58.7938 158.332 -129.553 -3.90032 -37.6523 62.3662 -69.0404 35.3819 -72.8156 PRESSAVG: 82800 101.516 -44.3967 -19.2071 -44.3966 -77.5172 34.4596 -19.2072 34.4597 -27.6825 GPRESSAVG: 82800 102.083 -43.911 -18.8333 -44.2625 -77.0791 32.237 -20.4494 36.4777 -28.3888 TIMING: 82800 CPU: 240.764, 0.00292209/step Wall: 240.764, 0.00292209/step, 3.99126 hours remaining, 197.699219 MB of memory in use. ENERGY: 82800 774.8261 2017.6513 1963.6009 129.4446 -206149.3209 17871.3506 0.0000 0.0000 34188.0306 -149204.4168 298.5726 -183392.4474 -149110.8554 299.1705 -49.8055 -17.2247 558423.4713 -1.2280 -1.1283 PRESSURE: 83000 -166.966 -88.3412 163.608 -88.3409 -181.09 84.0232 163.609 84.0227 182.446 GPRESSURE: 83000 -51.031 -22.0451 95.6007 -145.724 -157.578 0.357282 250.901 103.848 151.764 PRESSAVG: 83000 20.3236 29.5022 25.8887 29.5023 -23.4524 8.53474 25.8886 8.53483 -9.32375 GPRESSAVG: 83000 22.6234 31.4731 25.6317 28.2495 -24.7348 9.10251 26.817 7.08787 -10.6774 TIMING: 83000 CPU: 241.353, 0.00294375/step Wall: 241.353, 0.00294375/step, 4.02067 hours remaining, 197.699219 MB of memory in use. ENERGY: 83000 744.2955 2112.0531 1957.4579 103.1939 -206084.1311 17921.2130 0.0000 0.0000 33948.9933 -149296.9243 296.4850 -183245.9176 -149197.1599 298.9240 -55.2033 -18.9482 558201.6670 -4.1509 -4.2629 PRESSURE: 83200 -382.287 -5.14627 -78.2928 -5.14514 -95.0192 -79.038 -78.2914 -79.038 72.4207 GPRESSURE: 83200 -352.931 -43.7281 -109.044 -56.6388 -121.852 18.6882 -53.3403 -126.476 160.97 PRESSAVG: 83200 10.4596 -29.1458 64.759 -29.1458 -0.861747 -6.76061 64.7591 -6.76054 -4.97316 GPRESSAVG: 83200 9.86803 -32.4278 66.4808 -25.4779 -0.774119 -4.98617 64.4495 -6.23963 -4.59952 TIMING: 83200 CPU: 241.937, 0.00291779/step Wall: 241.937, 0.00291779/step, 3.98505 hours remaining, 197.699219 MB of memory in use. ENERGY: 83200 723.8650 2141.4383 1977.2177 106.1249 -206109.7714 17714.2506 0.0000 0.0000 34284.9887 -149161.8863 299.4193 -183446.8751 -149062.9976 298.8884 -134.9619 -104.6041 559316.0857 1.5416 1.4981 PRESSURE: 83400 -17.5184 146.627 -59.0449 146.627 200.836 136.047 -59.0443 136.046 355.196 GPRESSURE: 83400 70.5831 86.5424 -33.4919 168.146 210.947 161.575 -65.8145 104.155 356.56 PRESSAVG: 83400 6.48514 -41.5809 19.703 -41.5809 28.2474 65.8668 19.703 65.8669 -23.5659 GPRESSAVG: 83400 6.16594 -40.382 20.0547 -44.1452 28.5104 63.9165 17.8683 64.7351 -23.0819 TIMING: 83400 CPU: 242.52, 0.00291617/step Wall: 242.52, 0.00291618/step, 3.98269 hours remaining, 197.699219 MB of memory in use. ENERGY: 83400 710.1423 2122.4803 1994.9982 98.6911 -206851.1051 18261.0858 0.0000 0.0000 34399.8075 -149263.8998 300.4221 -183663.7073 -149168.5049 300.0741 179.5046 212.6965 558443.3917 3.7222 3.8648 PRESSURE: 83600 136.8 -38.9154 49.5644 -38.9138 92.3417 -221.808 49.5643 -221.808 -61.1978 GPRESSURE: 83600 94.1645 3.70338 33.3892 -92.9303 163.608 -209.354 57.156 -230.727 -3.47214 PRESSAVG: 83600 -60.594 1.2679 32.3492 1.26788 86.6473 25.285 32.3491 25.285 -29.7438 GPRESSAVG: 83600 -61.2144 0.932689 31.5519 2.31528 85.9808 25.995 33.6243 26.4194 -28.2096 TIMING: 83600 CPU: 243.102, 0.00291065/step Wall: 243.102, 0.00291065/step, 3.97498 hours remaining, 197.699219 MB of memory in use. ENERGY: 83600 732.4527 2095.8434 1949.3606 113.2287 -206282.1042 17920.4228 0.0000 0.0000 34210.6298 -149260.1661 298.7699 -183470.7959 -149157.2772 298.6433 55.9814 84.7667 558499.5723 -1.2302 -1.1477 PRESSURE: 83800 -84.7779 45.7826 -132.562 45.7825 -98.5097 -18.5334 -132.562 -18.5354 -231.682 GPRESSURE: 83800 -26.6747 56.9211 -112.978 -24.7507 -109.948 -35.0973 -62.8848 -9.26332 -192.059 PRESSAVG: 83800 -45.5781 -24.1483 14.3562 -24.1483 45.9332 -22.9949 14.3562 -22.995 -22.7785 GPRESSAVG: 83800 -45.9691 -25.1313 14.6882 -24.237 46.1597 -20.9382 13.9833 -24.6919 -23.0463 TIMING: 83800 CPU: 243.682, 0.00289901/step Wall: 243.682, 0.00289901/step, 3.95892 hours remaining, 197.699219 MB of memory in use. ENERGY: 83800 740.6356 2112.2884 1971.0351 109.1347 -206118.3778 17741.7581 0.0000 0.0000 34335.2894 -149108.2365 299.8586 -183443.5259 -149007.5403 299.2290 -138.3232 -109.5607 558890.6367 -7.4744 -7.6186 PRESSURE: 84000 -200.272 -34.9824 -138.101 -34.9831 -83.2359 -93.4026 -138.1 -93.4033 -54.4338 GPRESSURE: 84000 -198.828 -148.325 -132.894 19.9949 -59.312 -76.2821 -139.632 -99.7307 22.8076 PRESSAVG: 84000 5.70169 -11.3904 -16.9796 -11.3905 -4.95141 -17.5819 -16.9796 -17.582 -11.1438 GPRESSAVG: 84000 6.05696 -11.1104 -18.3405 -11.0789 -4.51464 -18.8314 -17.3817 -16.9624 -11.7938 TIMING: 84000 CPU: 244.258, 0.00288401/step Wall: 244.258, 0.00288401/step, 3.93827 hours remaining, 197.699219 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: 84000 757.8759 2092.4754 1974.4591 112.5517 -205999.4892 17814.4341 0.0000 0.0000 34069.6972 -149177.9958 297.5391 -183247.6930 -149088.0816 299.3143 -112.6474 -78.4441 560375.8324 -3.4645 -3.4172 PRESSURE: 84200 317.531 -149.45 135.162 -149.448 130.96 -65.8216 135.163 -65.822 -143.439 GPRESSURE: 84200 377.754 -195.422 93.374 -106.475 160.255 -54.1403 62.6921 -83.1124 -150.278 PRESSAVG: 84200 12.9395 -15.1822 -22.4448 -15.1822 -17.252 9.53442 -22.4447 9.53445 7.8984 GPRESSAVG: 84200 12.7109 -13.8168 -22.6365 -14.8716 -18.4832 8.85013 -22.1204 12.1783 9.45361 TIMING: 84200 CPU: 244.839, 0.00290054/step Wall: 244.839, 0.00290054/step, 3.96068 hours remaining, 197.699219 MB of memory in use. ENERGY: 84200 759.5486 2107.6201 1967.0719 114.8130 -206478.9947 18095.8895 0.0000 0.0000 34247.5331 -149186.5185 299.0922 -183434.0516 -149095.5785 299.4671 101.6843 129.2436 557475.4612 1.1953 1.2271 LDB: ============= START OF LOAD BALANCING ============== 248.303 LDB: ============== END OF LOAD BALANCING =============== 248.303 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 248.305 LDB: ============= START OF LOAD BALANCING ============== 248.592 LDB: Largest compute 4820 load 0.025794 is 22.0% of average load 0.117366 LDB: Average compute 0.001723 is 1.5% of average load 0.117366 LDB: TIME 248.595 LOAD: AVG 0.117366 MAX 0.177201 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 196.984 MB LDB: TIME 248.595 LOAD: AVG 0.117366 MAX 0.177201 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.047 MB LDB: TIME 248.595 LOAD: AVG 0.117366 MAX 0.177201 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 197.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 248.597 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 248.601 PRESSURE: 84400 -14.0451 32.2503 -10.16 32.2486 -96.5521 164.554 -10.1599 164.554 -149.337 GPRESSURE: 84400 -30.4769 68.8461 17.5966 -6.65201 -30.2063 231.296 8.418 135.734 -120.446 PRESSAVG: 84400 8.34128 -49.8663 -0.0446756 -49.8663 -3.20101 -46.9428 -0.0446924 -46.9427 10.1838 GPRESSAVG: 84400 8.49691 -50.7369 -0.0327751 -50.7752 -2.03329 -48.3023 0.89787 -47.8994 8.81386 TIMING: 84400 CPU: 245.426, 0.00293694/step Wall: 245.426, 0.00293694/step, 4.01023 hours remaining, 198.273438 MB of memory in use. ENERGY: 84400 771.6978 2101.6263 1984.9190 128.2905 -206002.3037 17898.0938 0.0000 0.0000 33897.1996 -149220.4767 296.0327 -183117.6763 -149134.6622 298.5968 -86.6446 -60.3763 558559.0899 5.1080 5.0925 PRESSURE: 84600 -237.083 55.264 0.750312 55.2632 -168.79 -76.9766 0.750487 -76.9758 75.2166 GPRESSURE: 84600 -187.602 -28.4946 -45.8785 31.786 -92.9336 -143.921 -1.34333 -65.2927 49.2622 PRESSAVG: 84600 38.4543 0.584521 -3.71383 0.584574 7.18973 18.417 -3.7138 18.417 -57.4582 GPRESSAVG: 84600 39.3561 2.29034 -1.13673 0.0308935 6.21406 20.9301 -6.2655 16.5235 -57.3439 TIMING: 84600 CPU: 246.007, 0.00290495/step Wall: 246.007, 0.00290495/step, 3.96639 hours remaining, 198.273438 MB of memory in use. ENERGY: 84600 774.5823 2116.5745 1964.5550 108.7471 -205981.2947 17635.1602 0.0000 0.0000 34157.8509 -149223.8248 298.3090 -183381.6757 -149123.7189 298.7886 -110.2185 -77.0912 557721.5887 -3.9381 -3.9246 PRESSURE: 84800 120.677 -114.769 -63.8972 -114.768 93.0507 -56.8876 -63.8964 -56.8883 155.046 GPRESSURE: 84800 130.519 -176.061 11.2485 -18.5729 46.1533 -80.9052 -119.328 -50.1184 290.691 PRESSAVG: 84800 13.3158 -17.3986 -10.7879 -17.3985 -22.9747 -37.8384 -10.7879 -37.8385 41.3495 GPRESSAVG: 84800 12.8404 -17.1324 -10.103 -17.4276 -21.9323 -39.6768 -9.85665 -36.4086 40.4607 TIMING: 84800 CPU: 246.584, 0.00288432/step Wall: 246.584, 0.00288432/step, 3.93806 hours remaining, 198.273438 MB of memory in use. ENERGY: 84800 733.4217 2120.0803 1969.4312 119.5177 -206405.6909 17884.4774 0.0000 0.0000 34189.9025 -149388.8600 298.5889 -183578.7626 -149295.9118 298.2599 122.9245 155.7878 556884.2209 10.5635 10.4563 PRESSURE: 85000 -102.668 -65.2837 23.678 -65.283 154.054 35.7279 23.6778 35.7276 111.512 GPRESSURE: 85000 -119.182 -89.754 -85.891 -54.766 203.611 84.452 12.4796 -28.607 181.799 PRESSAVG: 85000 -2.82322 8.85495 21.0391 8.8549 -15.8059 -11.4044 21.0391 -11.4044 0.00698564 GPRESSAVG: 85000 -3.68992 6.18574 18.2716 9.66831 -15.341 -10.343 19.8819 -11.8765 0.1927 TIMING: 85000 CPU: 247.16, 0.00287853/step Wall: 247.16, 0.00287853/step, 3.92999 hours remaining, 198.273438 MB of memory in use. ENERGY: 85000 730.8173 2054.3148 1934.3588 110.8362 -206329.9658 17933.0980 0.0000 0.0000 34299.4949 -149267.0458 299.5460 -183566.5408 -149164.8214 298.5091 54.2993 88.7426 557542.1056 -6.2074 -6.2794 PRESSURE: 85200 -456.796 -54.4363 -68.1314 -54.4366 -194.381 104.108 -68.1325 104.109 -204.264 GPRESSURE: 85200 -424.446 -62.8273 -54.2928 -66.0118 -146.302 71.355 -102.443 108.581 -197.809 PRESSAVG: 85200 -31.6654 -5.84075 10.5466 -5.84069 -63.0439 68.7411 10.5466 68.7411 64.0905 GPRESSAVG: 85200 -31.637 -5.72573 11.2868 -3.75834 -63.3966 70.5933 10.2832 69.1975 63.6303 TIMING: 85200 CPU: 247.74, 0.00290208/step Wall: 247.74, 0.00290208/step, 3.96198 hours remaining, 198.273438 MB of memory in use. ENERGY: 85200 727.2539 2060.5386 1977.3876 115.1171 -205843.7860 17453.4501 0.0000 0.0000 34236.4857 -149273.5528 298.9957 -183510.0386 -149187.1803 298.5792 -285.1469 -256.1854 559004.3402 -10.2063 -10.4678 PRESSURE: 85400 -93.9391 87.2392 -14.2692 87.2368 -234.626 -22.4845 -14.2707 -22.4848 34.405 GPRESSURE: 85400 -33.7527 74.5388 45.9665 17.2631 -217.34 -57.6126 -29.1714 -21.6955 42.227 PRESSAVG: 85400 -5.93233 29.7986 -4.03751 29.7986 -68.8223 38.6976 -4.03751 38.6977 47.2247 GPRESSAVG: 85400 -6.74626 31.9642 -3.98792 26.9932 -69.2652 38.1634 -3.35951 39.3071 48.4037 TIMING: 85400 CPU: 248.32, 0.00290155/step Wall: 248.32, 0.00290155/step, 3.9611 hours remaining, 198.273438 MB of memory in use. ENERGY: 85400 781.4881 2028.4293 1988.7208 112.5966 -206252.7358 17797.9042 0.0000 0.0000 34368.4967 -149175.1000 300.1486 -183543.5968 -149077.8398 298.6087 -98.0535 -69.6220 556914.9460 -9.1766 -9.2026 PRESSURE: 85600 230.445 1.53846 129.346 1.53819 328.215 -69.3997 129.346 -69.3998 281.871 GPRESSURE: 85600 315.746 -125.203 119.059 12.1733 290.101 -133.338 120.455 -89.0296 320.224 PRESSAVG: 85600 -10.0208 12.623 4.40904 12.623 -46.3911 -11.4539 4.40898 -11.4539 17.6281 GPRESSAVG: 85600 -7.9785 9.46653 3.37553 15.7436 -47.4652 -11.9968 3.98888 -13.4073 16.3532 TIMING: 85600 CPU: 248.896, 0.00287869/step Wall: 248.896, 0.00287869/step, 3.92973 hours remaining, 198.273438 MB of memory in use. ENERGY: 85600 737.3393 2096.7689 1981.5541 105.4610 -206593.9588 18256.0628 0.0000 0.0000 34216.6464 -149200.1263 298.8225 -183416.7727 -149102.3747 298.8049 280.1771 308.6903 556668.3002 -12.9279 -13.0302 PRESSURE: 85800 -48.4297 -140.885 16.5178 -140.887 26.1066 4.83622 16.5179 4.83674 -11.209 GPRESSURE: 85800 -11.6386 -156.288 53.425 -123.543 118.529 38.1518 -23.3954 34.8371 -36.3976 PRESSAVG: 85800 30.7216 18.5943 -5.37528 18.5943 62.7841 1.30276 -5.37522 1.30276 -35.5332 GPRESSAVG: 85800 29.7333 21.6729 -4.26262 16.2537 63.445 2.41806 -4.0102 3.18674 -35.7726 TIMING: 85800 CPU: 249.476, 0.00289868/step Wall: 249.476, 0.00289868/step, 3.95686 hours remaining, 198.273438 MB of memory in use. ENERGY: 85800 760.5938 2068.6830 1972.8788 117.1481 -206366.7801 17974.2028 0.0000 0.0000 34183.2262 -149290.0474 298.5306 -183473.2736 -149197.6973 298.9662 -11.1774 23.4977 558446.2255 19.3241 19.1352 PRESSURE: 86000 20.6865 -45.6959 65.7864 -45.6955 -57.6134 158.794 65.7876 158.795 -407.034 GPRESSURE: 86000 43.0222 -26.7826 109.932 -4.94334 -74.3545 168.505 37.6339 137.794 -321.26 PRESSAVG: 86000 22.2191 1.06464 -14.1303 1.06459 46.2197 21.5931 -14.1302 21.5932 -25.4818 GPRESSAVG: 86000 21.5892 2.06549 -13.9623 1.55144 46.4771 20.5054 -13.4491 20.6498 -24.537 TIMING: 86000 CPU: 250.057, 0.00290471/step Wall: 250.057, 0.00290471/step, 3.96493 hours remaining, 198.273438 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: 86000 758.4752 2109.8207 1959.1344 112.8212 -206024.1724 17695.5982 0.0000 0.0000 34228.8000 -149159.5230 298.9286 -183388.3229 -149056.4924 299.7205 -147.9869 -117.5306 556716.4906 14.3190 14.5098 PRESSURE: 86200 -218.883 77.5536 142.91 77.5544 213.896 -24.6996 142.911 -24.7006 52.221 GPRESSURE: 86200 -144.107 76.891 79.7658 68.1277 218.104 32.9422 96.1497 -76.1122 69.3254 PRESSAVG: 86200 0.00182178 58.9821 76.0767 58.9822 76.4547 29.8376 76.0767 29.8375 -50.9022 GPRESSAVG: 86200 1.70829 58.2094 75.888 57.4898 76.8918 28.1347 74.7314 31.1245 -52.7409 TIMING: 86200 CPU: 250.634, 0.00288862/step Wall: 250.634, 0.00288862/step, 3.94281 hours remaining, 198.273438 MB of memory in use. ENERGY: 86200 743.0748 2070.3955 1955.7676 103.7117 -206292.6164 17861.6177 0.0000 0.0000 34254.0649 -149303.9841 299.1493 -183558.0490 -149195.8292 298.9273 15.7447 47.7743 556567.6081 8.5181 8.6197 PRESSURE: 86400 -10.2321 29.9782 116.983 29.977 -20.2148 -67.3152 116.983 -67.3145 -151.261 GPRESSURE: 86400 44.8972 -4.85963 178.293 36.6434 -24.999 -121.317 95.8946 47.1861 -111.006 PRESSAVG: 86400 0.855216 54.4034 76.2312 54.4034 90.3289 7.25347 76.2311 7.25358 -29.8584 GPRESSAVG: 86400 -1.34497 55.1483 74.7412 56.7946 90.6825 9.54294 79.3655 5.9877 -27.996 TIMING: 86400 CPU: 251.212, 0.00288858/step Wall: 251.212, 0.00288858/step, 3.94259 hours remaining, 198.273438 MB of memory in use. ENERGY: 86400 719.1638 2083.9927 1938.5579 123.2676 -205795.9477 17693.8690 0.0000 0.0000 34297.9974 -148939.0991 299.5329 -183237.0966 -148848.1279 299.1358 -60.5693 -30.3691 557897.1805 20.4419 20.4472 PRESSURE: 86600 -5.22199 -25.331 23.5195 -25.3309 251.092 54.6312 23.5197 54.6323 -151.679 GPRESSURE: 86600 8.70291 29.5354 -43.3933 -49.2448 312.362 54.706 14.3029 68.1474 -138.947 PRESSAVG: 86600 -6.13469 3.24419 77.6452 3.24426 16.8707 4.94319 77.6452 4.94312 -29.6931 GPRESSAVG: 86600 -5.55685 2.68401 78.4048 1.35057 17.6848 2.92627 75.583 5.12751 -31.2686 TIMING: 86600 CPU: 251.791, 0.0028969/step Wall: 251.791, 0.0028969/step, 3.95379 hours remaining, 198.273438 MB of memory in use. ENERGY: 86600 728.5332 2141.8235 1972.2621 114.8045 -206081.6219 17956.3636 0.0000 0.0000 34087.6514 -149080.1836 297.6959 -183167.8349 -148983.9141 299.5976 31.3969 60.7058 558242.1283 -6.3191 -6.3802 PRESSURE: 86800 -401.092 -132.41 154.074 -132.41 -172.037 84.8228 154.074 84.8219 -180.348 GPRESSURE: 86800 -326.984 -70.1484 124.684 -207.874 -148.054 69.5301 127.979 79.5016 -180.34 PRESSAVG: 86800 -95.6911 -21.1246 18.5204 -21.1246 75.0486 -21.5199 18.5203 -21.5199 29.814 GPRESSAVG: 86800 -94.2203 -20.9468 18.9694 -22.5509 74.2295 -20.3751 19.1352 -23.486 29.2118 TIMING: 86800 CPU: 252.373, 0.00290764/step Wall: 252.373, 0.00290764/step, 3.96828 hours remaining, 198.273438 MB of memory in use. ENERGY: 86800 788.0931 2054.9226 1972.8265 112.4933 -205921.6232 17441.1427 0.0000 0.0000 34338.8189 -149213.3261 299.8894 -183552.1450 -149114.4868 298.8382 -251.1591 -218.4595 558175.4549 3.0572 3.0737 PRESSURE: 87000 59.2506 -30.3014 163.528 -30.3011 195.502 72.0573 163.527 72.0587 -20.7791 GPRESSURE: 87000 75.1419 -99.3843 183.207 -25.8396 247.682 139.886 163.414 58.9571 6.24375 PRESSAVG: 87000 -70.5514 -40.1515 43.5286 -40.1514 17.3024 0.417728 43.5287 0.417828 51.1526 GPRESSAVG: 87000 -72.6016 -41.7073 42.058 -38.0769 18.5063 2.30567 44.0699 1.12865 52.0628 TIMING: 87000 CPU: 252.952, 0.00289698/step Wall: 252.952, 0.00289698/step, 3.95357 hours remaining, 198.273438 MB of memory in use. ENERGY: 87000 732.5948 2092.5642 1980.2746 108.1317 -206019.0615 17625.9563 0.0000 0.0000 34382.8312 -149096.7086 300.2738 -183479.5398 -149000.6661 299.2671 77.9913 109.6894 557044.1423 -0.6988 -0.6775 PRESSURE: 87200 -98.5293 -155.59 -10.7304 -155.591 101.489 103.493 -10.7301 103.493 21.0435 GPRESSURE: 87200 -26.3394 -186.011 49.9056 -248.063 142.899 115.751 -26.5252 118.159 2.45014 PRESSAVG: 87200 -48.8968 -75.8097 59.0538 -75.8097 20.9257 -33.9457 59.0537 -33.9455 26.6168 GPRESSAVG: 87200 -48.7961 -75.3357 59.6969 -74.946 21.3436 -37.3689 58.1689 -33.0375 26.3964 TIMING: 87200 CPU: 253.537, 0.00292154/step Wall: 253.537, 0.00292154/step, 3.98693 hours remaining, 198.273438 MB of memory in use. ENERGY: 87200 775.9897 2134.8794 1984.4594 109.1168 -206405.1312 18047.9124 0.0000 0.0000 34270.9692 -149081.8044 299.2969 -183352.7736 -148984.8475 299.0652 8.0011 39.6698 557181.1860 -0.4514 -0.3520 PRESSURE: 87400 -22.3922 -20.8057 159.706 -20.8054 103.656 -89.6652 159.707 -89.6639 313.144 GPRESSURE: 87400 -34.6553 -16.9877 184.623 50.1951 178.038 -116.324 107.721 -59.977 346.357 PRESSAVG: 87400 -99.1031 -24.7921 23.1222 -24.7921 53.4229 -6.84782 23.1222 -6.84769 52.7413 GPRESSAVG: 87400 -97.8795 -24.4593 23.8777 -25.9674 52.0994 -7.61627 23.8738 -6.27436 52.7 TIMING: 87400 CPU: 254.117, 0.00289983/step Wall: 254.117, 0.00289983/step, 3.95714 hours remaining, 198.273438 MB of memory in use. ENERGY: 87400 748.5297 2058.6879 1984.1717 114.4139 -206499.8329 17966.6916 0.0000 0.0000 34260.5015 -149366.8365 299.2055 -183627.3381 -149266.7639 298.7518 131.4691 163.2466 555324.0135 2.3537 2.3067 PRESSURE: 87600 -205.136 -7.68838 59.939 -7.68926 -4.88446 203.26 59.9398 203.261 124.833 GPRESSURE: 87600 -91.6652 86.6447 53.4015 -102.804 -26.2355 221.709 92.8796 254.424 131.843 PRESSAVG: 87600 -5.08933 29.0248 34.7904 29.0247 -51.4513 69.429 34.7904 69.4289 73.8802 GPRESSAVG: 87600 -4.67234 27.8754 32.5108 32.1169 -52.8504 71.5077 35.377 69.3872 74.3277 TIMING: 87600 CPU: 254.697, 0.0029029/step Wall: 254.697, 0.0029029/step, 3.96116 hours remaining, 198.273438 MB of memory in use. ENERGY: 87600 756.7105 2108.4530 1958.8380 117.1003 -206297.4417 17712.9340 0.0000 0.0000 34338.3061 -149305.0999 299.8850 -183643.4059 -149210.2141 298.3911 -28.3958 4.6474 556577.1769 5.7799 5.6017 PRESSURE: 87800 -189.45 -77.1891 61.4527 -77.1885 106.414 -126.095 61.4528 -126.097 -72.0819 GPRESSURE: 87800 -142.155 -38.6578 44.8235 -184.581 129.358 -154.207 94.917 -131.322 -53.7982 PRESSAVG: 87800 -13.446 -8.20848 12.6454 -8.20849 32.9485 -2.16045 12.6455 -2.16043 -16.8457 GPRESSAVG: 87800 -15.4856 -7.50555 16.581 -11.093 34.5047 -2.57608 12.1239 -3.44999 -17.2102 TIMING: 87800 CPU: 255.277, 0.00290088/step Wall: 255.277, 0.00290088/step, 3.95825 hours remaining, 198.273438 MB of memory in use. ENERGY: 87800 708.6096 2107.0974 1961.9811 125.4111 -206109.2381 17653.7023 0.0000 0.0000 34122.4276 -149430.0091 297.9996 -183552.4367 -149331.8547 298.4885 -51.7059 -22.1984 557548.9784 0.8856 0.6030 PRESSURE: 88000 -343.139 64.6989 19.7426 64.6982 -260.142 -17.3501 19.7426 -17.3502 -99.418 GPRESSURE: 88000 -332.56 84.488 122.433 178.75 -195.615 8.57664 -7.9275 50.6149 -70.5406 PRESSAVG: 88000 9.51777 -6.34796 29.9339 -6.34791 -12.8283 13.8746 29.934 13.8746 -1.99665 GPRESSAVG: 88000 10.2346 -5.67666 28.96 -5.93165 -14.8794 13.1685 28.6365 13.6392 -0.846222 TIMING: 88000 CPU: 255.868, 0.0029533/step Wall: 255.868, 0.0029533/step, 4.02961 hours remaining, 198.273438 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: 88000 754.4714 2121.4864 1947.6045 119.2119 -206077.3694 17440.3613 0.0000 0.0000 34169.2436 -149524.9902 298.4085 -183694.2338 -149432.9376 297.8562 -234.2329 -199.5721 556572.1907 -1.7691 -1.8304 PRESSURE: 88200 20.9099 -32.5814 7.97567 -32.5823 92.0901 -45.8828 7.97512 -45.8839 -31.2168 GPRESSURE: 88200 64.3834 13.1971 -25.0494 -44.3611 113.962 50.0409 27.3201 26.9062 -3.08037 PRESSAVG: 88200 -10.7162 20.3043 49.5125 20.3043 -17.7013 23.2955 49.5124 23.2955 18.5153 GPRESSAVG: 88200 -10.7319 21.7734 47.4292 20.3435 -16.3239 24.2451 50.3488 23.6232 16.8668 TIMING: 88200 CPU: 256.457, 0.00294217/step Wall: 256.457, 0.00294217/step, 4.01426 hours remaining, 198.273438 MB of memory in use. ENERGY: 88200 727.9452 2115.2000 1982.0013 110.2049 -206542.1745 17965.7626 0.0000 0.0000 34225.6074 -149415.4531 298.9007 -183641.0605 -149313.6255 298.3234 27.2611 58.4216 557602.9754 -3.3007 -3.3963 LDB: ============= START OF LOAD BALANCING ============== 259.923 LDB: ============== END OF LOAD BALANCING =============== 259.923 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 259.925 LDB: ============= START OF LOAD BALANCING ============== 260.217 LDB: Largest compute 4827 load 0.026209 is 22.3% of average load 0.117334 LDB: Average compute 0.001720 is 1.5% of average load 0.117334 LDB: TIME 260.219 LOAD: AVG 0.117334 MAX 0.177408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.965 MB LDB: TIME 260.22 LOAD: AVG 0.117334 MAX 0.177408 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.168 MB LDB: TIME 260.22 LOAD: AVG 0.117334 MAX 0.177408 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 260.222 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 260.226 PRESSURE: 88400 -269.719 95.3162 215.311 95.3163 -165.596 152.599 215.309 152.601 95.321 GPRESSURE: 88400 -273.034 7.78751 137.367 90.0054 -103.313 209.743 135.461 38.8567 129.05 PRESSAVG: 88400 -4.52634 15.0824 0.16103 15.0824 -27.848 42.5813 0.161166 42.5813 -26.9138 GPRESSAVG: 88400 -4.66929 14.0561 1.82806 16.3861 -27.9555 40.7471 0.0106997 43.2865 -26.8842 TIMING: 88400 CPU: 257.051, 0.00297028/step Wall: 257.051, 0.00297028/step, 4.05246 hours remaining, 198.843750 MB of memory in use. ENERGY: 88400 737.0472 2115.3852 1987.7580 125.9645 -206234.2130 17636.4369 0.0000 0.0000 34373.1859 -149258.4354 300.1896 -183631.6213 -149161.2484 299.0377 -113.3313 -82.4327 557142.5176 -19.7627 -19.8364 PRESSURE: 88600 298.939 176.725 147.592 176.726 -115.218 -10.2772 147.594 -10.2758 -94.0076 GPRESSURE: 88600 300.2 173.524 116.904 196.49 -74.3039 -29.1101 199.853 63.7622 -41.1236 PRESSAVG: 88600 29.7869 1.18956 48.0129 1.18964 -33.1075 -7.10503 48.0128 -7.10503 12.9955 GPRESSAVG: 88600 29.665 2.41373 48.2104 -1.32274 -33.4927 -5.58142 47.7663 -7.5525 13.3214 TIMING: 88600 CPU: 257.626, 0.0028767/step Wall: 257.626, 0.0028767/step, 3.92461 hours remaining, 198.843750 MB of memory in use. ENERGY: 88600 716.5012 2075.6865 1989.9697 124.8015 -206193.9772 17828.0871 0.0000 0.0000 34168.9782 -149289.9531 298.4062 -183458.9313 -149197.0766 299.1573 29.9045 61.5907 557443.3999 3.2250 3.1646 PRESSURE: 88800 -96.6586 136.71 -56.5075 136.712 110.06 -146.336 -56.5067 -146.338 -188.176 GPRESSURE: 88800 -72.9424 52.8726 32.3801 192.466 145.247 -197.189 -58.4741 -27.7385 -149.115 PRESSAVG: 88800 5.55785 0.785771 -2.4899 0.785766 -32.9839 -5.73593 -2.48994 -5.73588 6.3662 GPRESSAVG: 88800 4.3276 0.264841 -0.985011 3.6642 -32.8708 -7.17929 -3.20486 -4.72728 7.82887 TIMING: 88800 CPU: 258.203, 0.00288363/step Wall: 258.203, 0.00288363/step, 3.93392 hours remaining, 198.843750 MB of memory in use. ENERGY: 88800 737.6092 2075.1293 1972.5421 92.4004 -206216.6141 17815.1916 0.0000 0.0000 34297.9078 -149225.8337 299.5322 -183523.7415 -149131.6735 299.4384 -58.2584 -25.6034 557375.3572 -7.0200 -6.9048 PRESSURE: 89000 -246.435 117.019 -124.649 117.018 -55.052 -176.39 -124.648 -176.389 -258.679 GPRESSURE: 89000 -181.795 78.1364 -163.188 179.249 -54.9349 -183.991 -63.2349 -54.185 -233.05 PRESSAVG: 89000 -17.8684 6.32203 -6.98123 6.32203 51.0331 -20.8946 -6.98125 -20.8947 -14.4637 GPRESSAVG: 89000 -17.5816 4.74988 -9.21642 6.05584 50.7767 -20.6427 -4.3274 -21.7334 -14.9324 TIMING: 89000 CPU: 258.784, 0.00290479/step Wall: 258.784, 0.00290479/step, 3.96262 hours remaining, 198.843750 MB of memory in use. ENERGY: 89000 781.4184 2146.1890 1947.6393 99.1068 -205860.9053 17520.4859 0.0000 0.0000 34218.5235 -149147.5425 298.8389 -183366.0660 -149053.0416 299.1538 -186.7219 -156.5932 557814.5877 6.2337 6.0876 PRESSURE: 89200 24.0009 37.1148 -4.17651 37.1154 -136.348 -229.076 -4.17692 -229.073 -154.281 GPRESSURE: 89200 62.2537 42.7748 15.7464 70.4257 -105.104 -176.365 -57.0839 -191.744 -114.078 PRESSAVG: 89200 3.33276 18.6359 -34.0773 18.6359 -8.9484 -26.1758 -34.0773 -26.1758 -8.42465 GPRESSAVG: 89200 3.87243 18.2832 -33.2531 16.9057 -7.98813 -26.0457 -34.7863 -25.8676 -9.11359 TIMING: 89200 CPU: 259.365, 0.0029091/step Wall: 259.365, 0.0029091/step, 3.96833 hours remaining, 198.843750 MB of memory in use. ENERGY: 89200 767.7306 2092.4338 1958.8407 111.5454 -206411.8098 17856.1706 0.0000 0.0000 34431.7761 -149193.3126 300.7013 -183625.0887 -149091.1813 299.6416 -88.8761 -52.3094 557975.4225 -4.6801 -4.4098 PRESSURE: 89400 -203.8 -38.4858 -93.7926 -38.4863 92.2278 67.6251 -93.7927 67.6269 61.0695 GPRESSURE: 89400 -134.775 -37.1455 -107.551 -29.8301 62.4876 118.437 -5.26065 31.8406 122.739 PRESSAVG: 89400 16.0007 44.3785 7.15497 44.3785 -45.8671 -2.49299 7.15493 -2.49296 29.3906 GPRESSAVG: 89400 15.8612 45.5081 6.40341 45.0229 -45.8332 -3.60273 7.9287 -4.0078 29.4052 TIMING: 89400 CPU: 259.945, 0.00289975/step Wall: 259.945, 0.00289975/step, 3.95542 hours remaining, 198.843750 MB of memory in use. ENERGY: 89400 759.7768 2091.9463 1964.7964 117.6425 -206226.4958 17895.0195 0.0000 0.0000 34039.3948 -149357.9195 297.2745 -183397.3143 -149262.7528 298.7226 -16.8342 16.8175 557809.5484 -0.1586 -0.1890 PRESSURE: 89600 39.7398 116.441 51.2894 116.44 -72.0476 -1.56835 51.2891 -1.56789 -7.76885 GPRESSURE: 89600 86.3634 104.811 -32.4877 56.3851 14.6806 62.4475 -24.9402 -79.0743 -51.7886 PRESSAVG: 89600 -0.844241 14.7206 -6.06059 14.7205 18.3426 -40.5933 -6.06059 -40.5933 -4.32564 GPRESSAVG: 89600 -0.484447 15.6126 -5.23982 13.7366 19.1988 -40.3647 -7.6273 -40.6113 -5.34459 TIMING: 89600 CPU: 260.534, 0.00294256/step Wall: 260.534, 0.00294256/step, 4.01366 hours remaining, 198.843750 MB of memory in use. ENERGY: 89600 763.8978 2106.2449 1970.3151 109.2106 -206240.5132 17824.7829 0.0000 0.0000 34210.1454 -149255.9164 298.7657 -183466.0618 -149161.7549 298.1748 -13.3589 16.4185 556328.0331 4.3909 4.4566 PRESSURE: 89800 -144.41 -44.3567 28.4065 -44.3574 -121.053 83.5809 28.4059 83.5798 -27.2604 GPRESSURE: 89800 -148.347 19.9793 -11.6254 -82.9264 -63.3658 41.9295 29.7157 83.5017 34.0832 PRESSAVG: 89800 -63.939 23.0423 -19.9226 23.0423 -1.50582 -20.6085 -19.9226 -20.6085 27.7822 GPRESSAVG: 89800 -65.1233 23.4263 -20.0586 22.9273 -2.12665 -19.6498 -19.2011 -19.8485 29.1211 TIMING: 89800 CPU: 261.119, 0.00292366/step Wall: 261.119, 0.00292366/step, 3.9877 hours remaining, 198.843750 MB of memory in use. ENERGY: 89800 773.9554 2101.1489 1953.4783 116.2524 -206269.9539 17717.9977 0.0000 0.0000 34545.7322 -149061.3890 301.6965 -183607.1212 -148962.6209 298.7691 -97.5746 -59.2099 556872.3460 -12.5542 -12.7096 PRESSURE: 90000 83.0629 3.4872 1.62603 3.48865 88.4704 83.429 1.62534 83.4313 124.351 GPRESSURE: 90000 106.896 22.8539 45.6551 30.8498 190.17 113.895 16.3897 67.8779 110.2 PRESSAVG: 90000 -26.4571 9.46522 -28.5523 9.46523 -14.1832 -28.2768 -28.5523 -28.2768 34.826 GPRESSAVG: 90000 -25.2526 7.01938 -29.6168 10.3104 -15.0477 -27.6235 -28.5423 -28.5124 34.9285 TIMING: 90000 CPU: 261.702, 0.00291682/step Wall: 261.702, 0.00291682/step, 3.97822 hours remaining, 198.843750 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: 90000 785.9621 2096.2028 1986.0870 126.8811 -206476.4044 17981.8203 0.0000 0.0000 34366.8498 -149132.6013 300.1342 -183499.4511 -149039.8676 299.4399 98.6281 135.7557 555468.9627 -1.9381 -1.7906 PRESSURE: 90200 -25.6918 19.7224 31.7114 19.7222 182.579 100.308 31.7113 100.305 65.0799 GPRESSURE: 90200 -16.9735 -1.26367 -14.8258 -11.4559 233.1 88.453 119.72 157.048 96.5647 PRESSAVG: 90200 -36.1283 2.17986 16.6607 2.17988 24.2981 62.8594 16.6607 62.8593 40.2214 GPRESSAVG: 90200 -36.6421 3.07717 17.3395 2.94513 24.7782 61.4116 14.4858 62.2852 40.4119 TIMING: 90200 CPU: 262.281, 0.00289471/step Wall: 262.281, 0.00289471/step, 3.9479 hours remaining, 198.843750 MB of memory in use. ENERGY: 90200 777.9751 2093.7940 1961.6786 119.8568 -206054.9723 17832.1942 0.0000 0.0000 34080.1645 -149189.3090 297.6306 -183269.4735 -149089.3508 299.4109 73.9889 104.2303 555727.1079 9.4638 9.5160 PRESSURE: 90400 -101.87 -119.861 -30.8124 -119.861 -44.3003 -63.6474 -30.8135 -63.648 -1.14428 GPRESSURE: 90400 -36.0646 -159.008 -63.9724 -182.744 17.9918 -73.2448 5.55028 -121.642 -20.6002 PRESSAVG: 90400 45.2265 34.9888 -14.3029 34.9889 -53.9278 82.8257 -14.3029 82.8258 6.93164 GPRESSAVG: 90400 47.1776 35.0091 -13.6596 36.5161 -53.5144 82.5485 -12.9928 83.6391 4.99345 TIMING: 90400 CPU: 262.863, 0.00290821/step Wall: 262.863, 0.00290821/step, 3.96615 hours remaining, 198.843750 MB of memory in use. ENERGY: 90400 762.7878 2106.4626 1957.5293 126.6925 -205756.2246 17560.5610 0.0000 0.0000 34115.8019 -149126.3896 297.9418 -183242.1915 -149034.7217 298.2265 -49.1050 -12.8910 556287.0530 -0.5899 -0.4478 PRESSURE: 90600 -7.67565 52.1174 16.6166 52.1163 -60.9861 -60.9338 16.6172 -60.9351 80.0095 GPRESSURE: 90600 0.173804 72.5963 11.8411 76.3477 -3.89442 -73.6314 3.94849 -101.739 117.957 PRESSAVG: 90600 14.6559 28.1128 43.6882 28.1128 -7.21676 31.3265 43.6882 31.3264 -35.7558 GPRESSAVG: 90600 14.2199 28.7019 43.4804 26.8942 -8.02661 32.918 43.8043 29.9851 -35.1821 TIMING: 90600 CPU: 263.445, 0.0029099/step Wall: 263.445, 0.0029099/step, 3.96829 hours remaining, 198.843750 MB of memory in use. ENERGY: 90600 731.9749 2083.1578 1969.3345 107.5486 -206004.4859 17725.4099 0.0000 0.0000 34203.2681 -149183.7922 298.7056 -183387.0603 -149085.0795 298.5211 3.7826 38.0786 556999.8837 -9.4389 -9.6629 PRESSURE: 90800 140.345 -38.5553 19.5595 -38.555 107.993 43.3926 19.5603 43.3931 188.015 GPRESSURE: 90800 162.744 -98.2909 40.1297 -38.212 137.367 65.7239 50.6783 112.361 228.686 PRESSAVG: 90800 -12.7819 53.9482 -10.7537 53.948 -36.2131 13.5899 -10.7537 13.59 49.069 GPRESSAVG: 90800 -14.2833 53.1413 -10.5549 54.3787 -36.9232 12.4862 -12.0984 14.8533 51.5534 TIMING: 90800 CPU: 264.031, 0.00293019/step Wall: 264.031, 0.00293019/step, 3.9958 hours remaining, 198.843750 MB of memory in use. ENERGY: 90800 762.5435 2028.5309 1993.5038 112.2624 -206445.8689 18094.7358 0.0000 0.0000 34118.5925 -149335.7001 297.9662 -183454.2926 -149238.0694 298.8089 145.4510 176.2658 556910.2860 0.0247 0.1157 PRESSURE: 91000 -105.293 37.6869 50.0963 37.6869 -73.8349 -95.5888 50.0959 -95.5909 91.258 GPRESSURE: 91000 -16.9159 15.4462 60.9751 69.9402 -40.4467 -28.2892 61.732 -95.3327 77.9955 PRESSAVG: 91000 -36.5351 70.6977 7.14118 70.6978 61.0541 -55.7689 7.14123 -55.7689 55.5961 GPRESSAVG: 91000 -36.2632 69.9634 9.82239 69.7549 63.2584 -55.3017 6.5573 -57.4436 53.6463 TIMING: 91000 CPU: 264.612, 0.00290903/step Wall: 264.612, 0.00290903/step, 3.96679 hours remaining, 198.843750 MB of memory in use. ENERGY: 91000 728.8295 2127.6799 1978.4889 122.8960 -206403.8568 18011.9980 0.0000 0.0000 34156.8687 -149277.0958 298.3004 -183433.9646 -149181.8531 299.1442 -29.2898 6.8776 558058.1006 26.7050 26.8805 PRESSURE: 91200 -9.81771 -61.1577 81.895 -61.1582 -88.7584 -32.811 81.8946 -32.812 -3.62763 GPRESSURE: 91200 38.5946 -1.45747 17.0698 -8.66186 -42.5198 -29.516 111.545 -21.8935 -5.01689 PRESSAVG: 91200 21.625 25.8956 -4.89153 25.8956 39.0814 -21.6821 -4.89154 -21.6821 -20.1917 GPRESSAVG: 91200 21.574 27.1153 -9.33484 25.4888 37.5065 -20.4421 -3.35817 -19.8851 -19.147 TIMING: 91200 CPU: 265.196, 0.00291828/step Wall: 265.196, 0.00291828/step, 3.97924 hours remaining, 198.843750 MB of memory in use. ENERGY: 91200 753.6050 2124.2279 1968.0457 108.8693 -206196.1958 17849.8592 0.0000 0.0000 34269.8741 -149121.7146 299.2873 -183391.5887 -149025.2194 299.5850 -34.0679 -2.9807 558718.2976 13.5049 13.3112 PRESSURE: 91400 45.8424 40.1217 -130.981 40.1213 -157.222 48.9824 -130.982 48.9831 -190.155 GPRESSURE: 91400 30.0464 68.5818 -264.557 33.0054 -109.613 52.4028 -40.6633 3.43362 -129.085 PRESSAVG: 91400 -15.0112 -27.0465 -30.8444 -27.0466 -41.6017 20.8984 -30.8444 20.8983 20.4734 GPRESSAVG: 91400 -15.1923 -25.7966 -28.8654 -27.6297 -42.2786 17.9117 -30.3543 20.2246 20.7024 TIMING: 91400 CPU: 265.779, 0.00291372/step Wall: 265.779, 0.00291372/step, 3.97286 hours remaining, 198.843750 MB of memory in use. ENERGY: 91400 715.0187 2058.4284 1966.2079 115.1457 -206295.5898 17823.2310 0.0000 0.0000 34262.2209 -149355.3371 299.2205 -183617.5580 -149253.1118 299.5542 -100.5117 -69.5505 559267.1557 -12.0465 -12.2562 PRESSURE: 91600 171.136 -53.7204 -99.5784 -53.7198 339.588 -56.2887 -99.5785 -56.2879 20.6296 GPRESSURE: 91600 158.94 -162.35 -40.8062 -29.5317 354.758 -110.169 -171.595 -98.5785 114.586 PRESSAVG: 91600 62.3009 14.2577 -19.0955 14.2578 -0.110063 62.8696 -19.0955 62.8697 -45.5884 GPRESSAVG: 91600 60.8326 12.5863 -19.7681 13.48 0.611222 64.6076 -21.641 62.3294 -45.3352 TIMING: 91600 CPU: 266.36, 0.00290566/step Wall: 266.36, 0.00290566/step, 3.96171 hours remaining, 198.843750 MB of memory in use. ENERGY: 91600 733.0419 2068.6281 1980.7675 125.2872 -206998.6665 18274.5834 0.0000 0.0000 34462.4769 -149353.8814 300.9694 -183816.3584 -149250.7318 298.6404 177.1178 209.4280 558625.4269 5.5341 5.3696 PRESSURE: 91800 -126.906 81.6747 -191.754 81.6757 97.0789 -94.106 -191.755 -94.107 -53.5934 GPRESSURE: 91800 -74.2594 152.101 -239.717 104.399 133.65 -108.048 -116.723 -96.0062 -53.5301 PRESSAVG: 91800 -7.7124 -1.82188 12.8746 -1.82191 75.2242 27.463 12.8746 27.4628 -96.7777 GPRESSAVG: 91800 -6.89128 0.0238725 14.8799 -1.66024 76.2058 27.5984 11.9916 28.033 -98.0562 TIMING: 91800 CPU: 266.941, 0.0029075/step Wall: 266.941, 0.0029075/step, 3.96405 hours remaining, 198.843750 MB of memory in use. ENERGY: 91800 754.4363 2083.7960 1975.0536 108.9638 -206435.0073 18022.2145 0.0000 0.0000 34062.0394 -149428.5036 297.4723 -183490.5430 -149335.4470 298.8881 -27.8067 1.9534 559065.1820 -9.7553 -9.5806 PRESSURE: 92000 93.0325 -40.1074 72.4883 -40.1075 199.849 85.7361 72.4882 85.7371 -151.177 GPRESSURE: 92000 162.689 11.8993 49.5668 7.91839 183.932 87.5964 130.219 36.5809 -106.507 PRESSAVG: 92000 -7.88772 27.7429 24.1078 27.743 15.809 3.60039 24.1076 3.6004 9.17677 GPRESSAVG: 92000 -8.3913 26.631 22.4727 28.3178 15.5501 2.92338 27.4751 5.37566 9.85025 TIMING: 92000 CPU: 267.526, 0.0029227/step Wall: 267.526, 0.0029227/step, 3.98461 hours remaining, 198.843750 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: 92000 733.7502 2159.2372 1971.3996 116.7128 -206510.7278 17995.5535 0.0000 0.0000 34039.6101 -149494.4643 297.2764 -183534.0744 -149405.1240 298.4110 47.2347 80.0376 557725.0073 5.6994 5.6697 PRESSURE: 92200 124.915 -72.4008 91.4669 -72.4 -15.3675 -40.8903 91.466 -40.889 -173.888 GPRESSURE: 92200 146.572 -83.9694 104.783 -58.217 4.30754 -69.7991 80.2013 -22.1317 -118.044 PRESSAVG: 92200 68.3588 55.2974 34.5218 55.2974 2.0982 50.4825 34.5218 50.4825 -79.5815 GPRESSAVG: 92200 68.6985 54.7349 34.4092 57.2351 2.13166 50.3548 32.695 49.5447 -80.0465 TIMING: 92200 CPU: 268.11, 0.00291855/step Wall: 268.11, 0.00291854/step, 3.97879 hours remaining, 198.843750 MB of memory in use. ENERGY: 92200 713.2766 2058.0087 1977.6284 108.6092 -206128.8323 17827.8688 0.0000 0.0000 34040.8484 -149402.5923 297.2872 -183443.4406 -149305.0456 298.3385 -21.4468 10.9452 557450.9454 -3.0415 -3.0721 LDB: ============= START OF LOAD BALANCING ============== 271.577 LDB: ============== END OF LOAD BALANCING =============== 271.577 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 271.578 LDB: ============= START OF LOAD BALANCING ============== 271.875 LDB: Largest compute 4820 load 0.027508 is 23.5% of average load 0.117273 LDB: Average compute 0.001724 is 1.5% of average load 0.117273 LDB: TIME 271.877 LOAD: AVG 0.117273 MAX 0.177503 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 199.238 MB LDB: TIME 271.877 LOAD: AVG 0.117273 MAX 0.177503 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.242 MB LDB: TIME 271.877 LOAD: AVG 0.117273 MAX 0.177503 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 199.242 MB LDB: ============== END OF LOAD BALANCING =============== 271.879 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 271.883 PRESSURE: 92400 -81.483 30.7274 -119.085 30.7271 -31.6434 -24.3471 -119.086 -24.3462 -175.078 GPRESSURE: 92400 -56.8123 -3.06977 -136.149 21.3456 -3.39453 37.4988 -65.4775 -126.012 -131.805 PRESSAVG: 92400 32.1408 26.4732 20.1269 26.4731 -6.32466 7.4801 20.1269 7.48006 -7.08232 GPRESSAVG: 92400 31.7324 26.1081 18.2688 26.3287 -6.41031 5.85446 22.2514 7.34907 -6.8165 TIMING: 92400 CPU: 268.708, 0.00299202/step Wall: 268.708, 0.00299202/step, 4.07879 hours remaining, 198.855469 MB of memory in use. ENERGY: 92400 751.4473 2135.1772 1967.4119 101.1185 -206102.8887 17672.4707 0.0000 0.0000 34186.7371 -149288.5261 298.5613 -183475.2631 -149192.1519 298.4813 -96.0682 -64.0038 557687.9713 6.2446 6.1685 PRESSURE: 92600 -167.441 284.213 97.7569 284.213 -183.761 -140.003 97.7562 -140.004 -99.3496 GPRESSURE: 92600 -167.667 244.523 -35.4498 288.75 -129.298 -159.172 237.157 -167.963 -60.9486 PRESSAVG: 92600 20.1475 67.4911 14.534 67.4911 -61.0589 -12.9387 14.5341 -12.9386 7.55764 GPRESSAVG: 92600 19.1521 68.5167 15.3936 67.1381 -60.651 -11.7371 13.3978 -12.2156 8.63481 TIMING: 92600 CPU: 269.288, 0.00289907/step Wall: 269.288, 0.00289907/step, 3.95191 hours remaining, 198.855469 MB of memory in use. ENERGY: 92600 742.1560 2120.2424 1996.0772 119.0136 -205705.8772 17471.3684 0.0000 0.0000 34013.2334 -149243.7861 297.0460 -183257.0196 -149134.8290 298.6352 -150.1840 -119.3046 559922.8647 -11.1179 -10.9547 PRESSURE: 92800 -123.861 212.934 24.3627 212.936 -25.6502 -42.1309 24.3622 -42.1307 104.719 GPRESSURE: 92800 -44.4204 217.815 45.3988 114.11 15.36 5.26212 64.069 -4.82064 85.2 PRESSAVG: 92800 -5.70692 65.1076 22.0059 65.1076 -53.1065 7.53008 22.0059 7.53011 65.821 GPRESSAVG: 92800 -5.82363 65.336 24.7247 64.526 -52.8339 7.48071 20.1077 5.30485 65.3534 TIMING: 92800 CPU: 269.871, 0.00291534/step Wall: 269.871, 0.00291534/step, 3.97393 hours remaining, 198.855469 MB of memory in use. ENERGY: 92800 766.5963 2134.7866 1991.3964 120.9468 -206297.1307 17834.9424 0.0000 0.0000 34170.8628 -149277.5993 298.4226 -183448.4621 -149181.7072 299.0188 -14.9310 18.7132 556166.6183 2.3359 2.2320 PRESSURE: 93000 -107.311 -36.8484 -11.9234 -36.8488 -91.1596 -71.5011 -11.9242 -71.5018 -276.645 GPRESSURE: 93000 -141.417 22.066 -19.6917 -91.1811 -95.6913 -119.889 50.9828 -61.6905 -150.889 PRESSAVG: 93000 -34.6823 56.8085 34.43 56.8086 5.54057 32.7424 34.4299 32.7423 8.12585 GPRESSAVG: 93000 -34.2109 53.3483 32.5473 58.8042 4.28086 33.161 35.1886 33.0757 9.37948 TIMING: 93000 CPU: 270.461, 0.00294773/step Wall: 270.461, 0.00294773/step, 4.01793 hours remaining, 198.855469 MB of memory in use. ENERGY: 93000 739.6109 2131.5219 1994.3704 105.9199 -206259.8441 17752.9633 0.0000 0.0000 34242.6897 -149292.7680 299.0499 -183535.4577 -149194.8459 299.0228 -158.3718 -129.3324 558295.2283 -7.0053 -6.8502 PRESSURE: 93200 -211.452 -67.835 96.2961 -67.8346 -153.659 -55.0592 96.2972 -55.0597 -316.19 GPRESSURE: 93200 -165.593 -95.3142 75.9051 -37.343 -155.008 -53.2488 196.061 39.0105 -263.943 PRESSAVG: 93200 72.0207 -4.90065 88.0187 -4.90059 -50.691 45.3416 88.0187 45.3417 -47.8717 GPRESSAVG: 93200 71.3223 -3.82715 89.1105 -6.13277 -49.6146 44.7044 90.2408 46.622 -48.0712 TIMING: 93200 CPU: 271.044, 0.00291784/step Wall: 271.044, 0.00291784/step, 3.97701 hours remaining, 198.855469 MB of memory in use. ENERGY: 93200 748.9342 2127.8013 1970.6135 102.8027 -206170.5647 17675.1500 0.0000 0.0000 34383.9298 -149161.3332 300.2834 -183545.2630 -149061.3455 298.9119 -227.1004 -194.8478 558890.7076 -8.8473 -8.7878 PRESSURE: 93400 -224.494 33.6941 -90.5916 33.6913 -89.6977 -51.9458 -90.592 -51.9449 -124.846 GPRESSURE: 93400 -209.901 17.1253 -65.1863 79.7982 -36.6201 -39.2848 -41.5203 55.3269 -95.9428 PRESSAVG: 93400 13.9413 30.5245 61.6658 30.5244 40.7341 -10.3757 61.6659 -10.3757 -23.1008 GPRESSAVG: 93400 14.1137 31.875 61.4217 30.9752 40.6941 -11.0819 59.7193 -10.5785 -22.4807 TIMING: 93400 CPU: 271.627, 0.00291373/step Wall: 271.627, 0.00291373/step, 3.97125 hours remaining, 198.855469 MB of memory in use. ENERGY: 93400 713.5590 2134.2955 1965.3421 101.5677 -206067.0650 17718.1359 0.0000 0.0000 34269.4394 -149164.7255 299.2835 -183434.1649 -149065.5135 299.8824 -146.3461 -114.1545 557809.6675 10.5248 10.7757 PRESSURE: 93600 -86.6166 23.2923 -34.6742 23.2915 -47.5913 112.713 -34.6743 112.714 -85.0732 GPRESSURE: 93600 -28.1812 -3.41625 11.1508 80.1461 16.1216 45.9582 -11.2804 76.1661 -102.103 PRESSAVG: 93600 0.066594 -11.0615 47.1761 -11.0615 84.3406 2.24281 47.1761 2.24291 -31.7946 GPRESSAVG: 93600 1.49502 -11.7213 46.5847 -10.6752 84.0705 2.38368 47.8691 0.956094 -32.9195 TIMING: 93600 CPU: 272.205, 0.00288864/step Wall: 272.205, 0.00288864/step, 3.9369 hours remaining, 198.855469 MB of memory in use. ENERGY: 93600 752.2715 2108.5704 1945.9947 106.2453 -205752.7542 17699.8299 0.0000 0.0000 34081.6119 -149058.2305 297.6432 -183139.8424 -148966.5830 299.3843 -73.0937 -38.0544 558061.9019 17.5375 17.5487 PRESSURE: 93800 69.4599 -50.088 -134.426 -50.087 -136.147 -93.9046 -134.425 -93.9077 -60.4325 GPRESSURE: 93800 137.077 -4.00539 -79.589 -137.154 -91.8328 -141.469 -196.544 -75.1565 -65.5674 PRESSAVG: 93800 5.71402 -4.05329 -4.86165 -4.05328 17.3553 -20.3458 -4.86155 -20.3458 -52.9391 GPRESSAVG: 93800 4.54423 -3.90712 -4.43973 -4.86104 17.9093 -20.5756 -4.34734 -18.2611 -51.8288 TIMING: 93800 CPU: 272.788, 0.00291953/step Wall: 272.788, 0.00291953/step, 3.97883 hours remaining, 198.855469 MB of memory in use. ENERGY: 93800 714.0376 2081.2310 1963.7454 111.5339 -205966.8594 17606.4331 0.0000 0.0000 34260.7654 -149229.1131 299.2078 -183489.8785 -149132.4682 299.4928 -42.3733 -6.7744 555131.4630 -9.9566 -9.7918 PRESSURE: 94000 185.422 43.2986 0.951145 43.2989 29.9977 48.0617 0.950376 48.0618 166.17 GPRESSURE: 94000 148.561 13.0722 60.0762 7.57644 137.798 75.4865 -102.692 -56.6569 202.113 PRESSAVG: 94000 1.88041 20.0116 -11.9373 20.0116 23.1449 42.7606 -11.9373 42.7605 -4.64917 GPRESSAVG: 94000 1.64594 19.3433 -12.0263 20.2782 23.5557 42.3946 -12.4205 42.9398 -4.68108 TIMING: 94000 CPU: 273.375, 0.00293339/step Wall: 273.375, 0.00293339/step, 3.99756 hours remaining, 198.855469 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: 94000 729.7362 2057.2548 1948.1356 113.9608 -206382.1512 17965.1652 0.0000 0.0000 34280.4030 -149287.4956 299.3793 -183567.8987 -149191.2635 299.1021 127.1967 162.8239 556058.8003 6.7921 6.8402 PRESSURE: 94200 -4.41213 -20.4586 59.6241 -20.4599 -27.0412 103.974 59.6239 103.973 -223.691 GPRESSURE: 94200 -27.5858 -40.0305 55.3441 60.3643 1.47151 183.126 44.8853 119.354 -125.255 PRESSAVG: 94200 0.89321 -22.8248 24.3393 -22.825 62.3967 -14.078 24.3393 -14.0779 -52.7607 GPRESSAVG: 94200 1.12714 -21.515 23.3877 -22.496 62.9587 -12.8643 24.8036 -14.8295 -53.8713 TIMING: 94200 CPU: 273.96, 0.00292205/step Wall: 273.96, 0.00292205/step, 3.98194 hours remaining, 198.855469 MB of memory in use. ENERGY: 94200 733.4148 2140.0515 1947.9451 110.7827 -206341.0098 17763.3188 0.0000 0.0000 34311.7580 -149333.7390 299.6531 -183645.4969 -149238.8070 298.8740 -85.0483 -50.4564 556622.3066 3.5097 3.4048 PRESSURE: 94400 19.91 74.8 -20.7203 74.7991 -81.0813 -49.3358 -20.7207 -49.3347 344.296 GPRESSURE: 94400 94.5151 73.3009 13.1038 98.709 -37.2516 -117.014 -104.103 -22.8759 326.996 PRESSAVG: 94400 7.12703 12.2468 -27.5112 12.2468 -5.66864 -44.4099 -27.5111 -44.4098 16.1097 GPRESSAVG: 94400 7.12682 11.6999 -26.0273 9.85405 -6.01816 -45.2806 -29.102 -45.3376 16.7073 TIMING: 94400 CPU: 274.538, 0.00289159/step Wall: 274.538, 0.00289159/step, 3.94027 hours remaining, 198.855469 MB of memory in use. ENERGY: 94400 782.9714 2059.7443 1958.7977 104.4783 -206467.6259 17961.2111 0.0000 0.0000 34276.8242 -149323.5989 299.3480 -183600.4231 -149219.5774 299.1075 94.3750 128.0864 556626.6488 5.8560 5.9386 PRESSURE: 94600 39.2496 73.6373 -124.114 73.6371 261.28 -19.2821 -124.113 -19.2829 -20.3619 GPRESSURE: 94600 81.9946 88.3951 -86.4122 108.909 256.528 40.128 -136.932 12.5644 26.372 PRESSAVG: 94600 -9.68709 63.4122 -36.1408 63.4123 -2.86149 -28.7743 -36.1409 -28.7743 55.4396 GPRESSAVG: 94600 -10.4893 63.9624 -36.9302 66.2373 -2.91334 -27.2922 -35.0165 -28.5906 56.1217 TIMING: 94600 CPU: 275.122, 0.00292272/step Wall: 275.122, 0.00292272/step, 3.98253 hours remaining, 198.855469 MB of memory in use. ENERGY: 94600 698.1067 2183.4149 1948.0537 109.8400 -206915.6393 17937.9474 0.0000 0.0000 34504.0908 -149534.1857 301.3328 -184038.2765 -149433.0402 298.5893 93.3891 121.6314 555315.0242 14.2970 14.2397 PRESSURE: 94800 -127.473 -44.2129 21.5175 -44.2141 -19.0913 27.6176 21.5158 27.6193 -85.3362 GPRESSURE: 94800 -130.811 14.7029 3.71985 6.87088 -12.7504 -2.83219 3.48521 58.7525 14.5316 PRESSAVG: 94800 -30.4248 59.438 22.1257 59.4379 71.8958 13.0263 22.1255 13.0262 -8.95951 GPRESSAVG: 94800 -29.0235 60.6396 23.8737 59.1763 71.2415 12.0718 21.4734 13.6819 -10.2402 TIMING: 94800 CPU: 275.704, 0.00290547/step Wall: 275.704, 0.00290547/step, 3.95886 hours remaining, 198.855469 MB of memory in use. ENERGY: 94800 755.2060 2114.2346 1950.7052 103.6651 -206661.9512 17864.1157 0.0000 0.0000 34396.7262 -149477.2984 300.3952 -183874.0246 -149387.9614 298.5392 -77.3003 -43.0098 556901.0661 10.8372 10.6593 PRESSURE: 95000 124.493 31.9584 84.1015 31.958 233.09 144.892 84.1007 144.893 75.306 GPRESSURE: 95000 195.709 75.3156 -16.8367 72.5864 219.295 137.727 175.933 43.7444 126.043 PRESSAVG: 95000 -55.5399 49.6289 48.4869 49.6289 23.2726 1.78734 48.4869 1.78729 -15.9977 GPRESSAVG: 95000 -56.496 47.8083 47.017 50.2985 23.5213 0.630692 49.6686 2.35086 -15.2272 TIMING: 95000 CPU: 276.284, 0.00290359/step Wall: 276.284, 0.00290359/step, 3.95614 hours remaining, 198.855469 MB of memory in use. ENERGY: 95000 747.2830 2078.7869 1949.2531 122.4066 -206837.6873 18137.9079 0.0000 0.0000 34238.8138 -149563.2358 299.0161 -183802.0497 -149471.7741 298.1420 144.2965 180.3491 555608.4647 -16.0883 -16.0673 PRESSURE: 95200 86.3978 -10.1418 58.8759 -10.1421 -168.406 159.134 58.8755 159.136 -258.397 GPRESSURE: 95200 121.396 51.0644 58.544 -100.889 -102.209 167.736 -2.24107 69.3859 -261.922 PRESSAVG: 95200 44.8252 18.9904 -27.7097 18.9903 -14.4935 42.2526 -27.7096 42.2525 -32.8796 GPRESSAVG: 95200 45.5429 20.6094 -27.9526 16.5595 -15.3812 44.2932 -25.9925 39.8895 -32.3878 TIMING: 95200 CPU: 276.864, 0.00289931/step Wall: 276.864, 0.00289931/step, 3.95014 hours remaining, 198.855469 MB of memory in use. ENERGY: 95200 735.8337 2149.4056 1973.5701 118.1934 -206439.2967 17681.2654 0.0000 0.0000 34130.7366 -149650.2920 298.0722 -183781.0285 -149555.9912 298.2306 -113.4684 -80.9118 556587.8206 -0.8493 -0.7420 PRESSURE: 95400 -55.5748 25.997 22.5382 25.9972 -49.5737 142.007 22.5396 142.007 -265.093 GPRESSURE: 95400 -8.17132 25.1562 67.4017 41.6722 13.6231 103.817 -21.1612 155.86 -288.178 PRESSAVG: 95400 20.6294 3.02889 -33.082 3.02891 44.484 36.2382 -33.082 36.2383 -43.9294 GPRESSAVG: 95400 19.466 2.15582 -32.1367 3.09674 46.138 35.3919 -35.3081 37.2384 -44.4438 TIMING: 95400 CPU: 277.447, 0.00291509/step Wall: 277.447, 0.00291509/step, 3.97148 hours remaining, 198.855469 MB of memory in use. ENERGY: 95400 769.4934 2129.0344 1949.3294 102.5158 -206370.4699 17785.7781 0.0000 0.0000 33996.7234 -149637.5954 296.9018 -183634.3188 -149534.8779 297.9268 -123.4139 -94.2422 556929.5065 7.0613 7.0534 PRESSURE: 95600 -77.8613 78.703 169.856 78.7043 63.8272 -7.65318 169.857 -7.65484 -104.985 GPRESSURE: 95600 -39.4071 106.991 183.126 28.9588 48.9913 -8.1744 102.745 48.4233 -36.3365 PRESSAVG: 95600 -29.134 29.0217 -39.668 29.0218 56.5413 -45.4205 -39.6681 -45.4207 -52.2513 GPRESSAVG: 95600 -28.6506 28.8079 -38.2007 28.7018 55.3228 -46.862 -40.1211 -43.7579 -51.1467 TIMING: 95600 CPU: 278.028, 0.00290565/step Wall: 278.028, 0.00290565/step, 3.95847 hours remaining, 198.855469 MB of memory in use. ENERGY: 95600 748.5921 2109.2348 1946.1391 114.5083 -206537.5906 17823.5892 0.0000 0.0000 34154.5103 -149641.0168 298.2798 -183795.5271 -149540.2374 298.0796 -39.6729 -8.9174 556203.5996 -8.2813 -8.1582 PRESSURE: 95800 64.0887 90.7577 -5.1557 90.7588 51.054 -78.4532 -5.15696 -78.4528 -96.496 GPRESSURE: 95800 113.587 74.9561 25.2509 164.709 93.8921 -124.738 -22.2866 41.8736 -84.9605 PRESSAVG: 95800 21.6995 3.89467 -35.2918 3.8947 31.2731 -25.2239 -35.2918 -25.224 -39.5955 GPRESSAVG: 95800 22.416 4.76561 -38.3229 3.99384 29.8983 -24.4289 -34.0415 -25.9645 -39.4424 TIMING: 95800 CPU: 278.609, 0.00290241/step Wall: 278.609, 0.00290241/step, 3.95389 hours remaining, 198.855469 MB of memory in use. ENERGY: 95800 718.0615 2128.0796 1972.2247 112.1998 -206345.9624 17727.8888 0.0000 0.0000 34262.3845 -149425.1235 299.2219 -183687.5080 -149328.9191 297.9795 6.2156 40.8395 556470.5038 4.4591 4.2907 PRESSURE: 96000 35.9627 -67.7143 5.25911 -67.7129 83.7777 178.801 5.25845 178.8 -455.576 GPRESSURE: 96000 36.3889 -23.1045 83.4392 -94.741 97.4267 66.9665 42.3719 204.371 -376.909 PRESSAVG: 96000 18.2693 29.1307 -45.4466 29.1308 26.8776 -65.7276 -45.4466 -65.7277 -31.9933 GPRESSAVG: 96000 18.1702 28.8938 -43.9938 28.3867 27.9603 -66.5088 -47.474 -66.3305 -33.1228 TIMING: 96000 CPU: 279.196, 0.0029363/step Wall: 279.196, 0.0029363/step, 3.9999 hours remaining, 198.855469 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: 96000 774.4242 2087.0063 1960.3998 110.6385 -206420.5583 17869.1648 0.0000 0.0000 34345.2480 -149273.6768 299.9456 -183618.9247 -149171.7669 298.5601 -111.9452 -81.0310 559500.2586 4.3846 4.3359 PRESSURE: 96200 77.8265 -38.7528 27.4192 -38.7535 -224.863 292.147 27.4186 292.148 -408.101 GPRESSURE: 96200 116.793 -118.571 39.7151 -122.25 -213.985 291.652 48.5502 127.616 -353.411 PRESSAVG: 96200 69.774 -22.9449 -36.5617 -22.9449 53.1126 6.79683 -36.5617 6.79683 -85.6143 GPRESSAVG: 96200 68.2963 -23.5925 -38.5918 -23.6236 53.3104 8.09712 -33.621 4.00748 -83.9551 TIMING: 96200 CPU: 279.783, 0.00293288/step Wall: 279.783, 0.00293288/step, 3.99507 hours remaining, 198.855469 MB of memory in use. ENERGY: 96200 742.6241 2140.4107 1953.4302 115.1797 -206267.4203 17937.9501 0.0000 0.0000 34216.6996 -149161.1259 298.8229 -183377.8254 -149066.8997 298.8611 -185.0457 -150.2012 559673.7654 12.4241 12.5505 LDB: ============= START OF LOAD BALANCING ============== 283.252 LDB: ============== END OF LOAD BALANCING =============== 283.252 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 283.254 LDB: ============= START OF LOAD BALANCING ============== 283.546 LDB: Largest compute 4820 load 0.028966 is 24.7% of average load 0.117311 LDB: Average compute 0.001728 is 1.5% of average load 0.117311 LDB: TIME 283.548 LOAD: AVG 0.117311 MAX 0.179028 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 198.141 MB LDB: TIME 283.548 LOAD: AVG 0.117311 MAX 0.179028 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.344 MB LDB: TIME 283.548 LOAD: AVG 0.117311 MAX 0.179028 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 198.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 283.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 283.554 PRESSURE: 96400 -94.9414 102.702 87.186 102.702 -54.2418 -126.232 87.1864 -126.232 -358.227 GPRESSURE: 96400 -64.7794 91.2385 -17.3471 139.507 -21.6866 -97.0457 183.249 -116.989 -334.84 PRESSAVG: 96400 53.1433 51.5508 13.2403 51.5508 55.7537 -35.1207 13.2402 -35.1208 -99.2831 GPRESSAVG: 96400 53.2598 52.0994 13.2001 53.5 55.902 -35.6501 13.6555 -31.3416 -99.2792 TIMING: 96400 CPU: 280.379, 0.00298378/step Wall: 280.379, 0.00298378/step, 4.06424 hours remaining, 197.957031 MB of memory in use. ENERGY: 96400 791.7035 2157.4870 1947.1934 113.6826 -206226.6549 17722.2582 0.0000 0.0000 34371.0359 -149123.2944 300.1708 -183494.3303 -149029.0793 299.3703 -169.1366 -140.4354 558254.5466 3.2047 3.2942 PRESSURE: 96600 61.4321 -152.683 -17.3748 -152.683 -27.0263 -22.2316 -17.3746 -22.2302 3.86378 GPRESSURE: 96600 44.8769 -227.018 -44.6317 -214.777 65.2233 -124.138 -81.8136 35.9033 20.9383 PRESSAVG: 96600 -41.1807 32.3955 -43.2273 32.3954 47.8252 -6.01003 -43.2272 -6.01006 -10.5733 GPRESSAVG: 96600 -40.3617 32.8208 -44.6233 31.1413 47.2948 -5.95038 -45.7073 -8.08493 -11.1073 TIMING: 96600 CPU: 280.962, 0.00291192/step Wall: 280.962, 0.00291192/step, 3.9662 hours remaining, 197.957031 MB of memory in use. ENERGY: 96600 742.7671 2128.8739 1964.6965 108.4075 -206384.8244 17919.8646 0.0000 0.0000 34290.9470 -149229.2679 299.4714 -183520.2148 -149129.9378 299.3993 12.7565 43.6795 557351.5637 -1.3096 -1.3914 PRESSURE: 96800 -94.1541 4.32403 -45.9058 4.32476 -167.02 -88.1829 -45.9076 -88.1826 -105.463 GPRESSURE: 96800 -12.9811 27.0769 -60.2334 22.1643 -202.317 20.8356 48.4989 -105.476 -44.9019 PRESSAVG: 96800 108.769 -25.7065 -15.4434 -25.7065 -50.3817 21.1926 -15.4435 21.1925 -35.845 GPRESSAVG: 96800 108.638 -25.6452 -14.7413 -25.1631 -50.0524 21.5383 -13.6715 21.9627 -35.7543 TIMING: 96800 CPU: 281.544, 0.00291394/step Wall: 281.544, 0.00291394/step, 3.96879 hours remaining, 197.957031 MB of memory in use. ENERGY: 96800 777.3324 2151.9364 1961.5847 103.3430 -206134.4139 17693.0494 0.0000 0.0000 34064.6532 -149382.5148 297.4951 -183447.1680 -149288.7649 299.3342 -122.2123 -86.7332 557784.2319 7.5140 7.6104 PRESSURE: 97000 -27.2298 -207.601 -127.208 -207.601 195.308 37.8649 -127.208 37.8655 64.3896 GPRESSURE: 97000 33.1935 -160.528 -63.209 -189.333 210.019 58.5173 -98.0729 27.1567 69.6679 PRESSAVG: 97000 17.3568 13.0166 2.09321 13.0167 66.9686 39.4882 2.09332 39.4883 -54.6817 GPRESSAVG: 97000 17.8508 14.3631 3.63177 13.765 67.3949 37.2034 2.73362 39.9584 -55.4821 TIMING: 97000 CPU: 282.132, 0.00293881/step Wall: 282.132, 0.00293881/step, 4.00249 hours remaining, 197.957031 MB of memory in use. ENERGY: 97000 763.9298 2031.0598 1976.5721 132.3196 -206124.3448 17901.6355 0.0000 0.0000 34082.5942 -149236.2338 297.6518 -183318.8280 -149140.7864 298.1977 77.4894 104.2935 558623.4835 9.8812 9.9212 PRESSURE: 97200 -376.081 -49.9239 -60.6598 -49.9242 -357.927 90.2567 -60.6608 90.2563 1.52702 GPRESSURE: 97200 -327.175 -41.5074 -35.2265 -60.9732 -291.956 81.666 -104.164 133.964 -7.67405 PRESSAVG: 97200 8.92671 -8.00538 50.3356 -8.00543 15.8827 -1.88432 50.3356 -1.8844 -8.17117 GPRESSAVG: 97200 8.31942 -9.81848 50.6651 -7.02851 15.0825 2.73192 48.3958 -2.64689 -6.71468 TIMING: 97200 CPU: 282.72, 0.00293975/step Wall: 282.72, 0.00293975/step, 4.00361 hours remaining, 197.957031 MB of memory in use. ENERGY: 97200 778.1783 2103.3842 1971.3258 108.1538 -206066.1760 17619.0031 0.0000 0.0000 34220.0797 -149266.0513 298.8525 -183486.1310 -149165.1932 298.4547 -244.1602 -208.9352 558866.3266 5.5461 5.5624 PRESSURE: 97400 92.2326 141.663 264.265 141.664 -92.9907 41.9293 264.265 41.9302 66.5719 GPRESSURE: 97400 113.817 126.476 244.173 112.642 -114.349 72.1466 290.279 44.8987 151.036 PRESSAVG: 97400 -26.3355 13.7593 32.7075 13.7593 -5.28914 -3.02543 32.7075 -3.02544 -26.5802 GPRESSAVG: 97400 -25.0943 14.2897 30.0305 11.6948 -5.41546 -5.01031 33.8205 -1.84892 -28.0175 TIMING: 97400 CPU: 283.312, 0.0029603/step Wall: 283.312, 0.0029603/step, 4.03144 hours remaining, 197.957031 MB of memory in use. ENERGY: 97400 735.1782 2104.9433 1938.0299 104.8524 -206558.7621 17876.9528 0.0000 0.0000 34387.7997 -149411.0057 300.3172 -183798.8054 -149312.7627 298.3054 21.9379 50.1680 556778.6190 -19.4016 -19.5091 PRESSURE: 97600 -69.7869 -6.90121 26.8539 -6.90222 -42.6183 -210.488 26.8537 -210.487 43.2692 GPRESSURE: 97600 -44.2948 -24.0552 1.58147 -4.67912 43.2723 -156.621 118.859 -162.356 22.8164 PRESSAVG: 97600 -42.3688 50.736 42.8584 50.7359 4.57992 10.1406 42.8585 10.1406 21.587 GPRESSAVG: 97600 -42.0674 51.8335 44.0757 51.2268 5.73435 12.1822 41.9029 9.18633 20.7031 TIMING: 97600 CPU: 283.899, 0.00293184/step Wall: 283.899, 0.00293184/step, 3.99251 hours remaining, 197.957031 MB of memory in use. ENERGY: 97600 737.7908 2085.0503 1970.7942 100.0446 -206463.8680 17898.5134 0.0000 0.0000 34269.3559 -149402.3187 299.2828 -183671.6746 -149300.0483 298.4188 -23.0453 7.2646 557433.5500 -5.4006 -5.2100 PRESSURE: 97800 77.3488 24.3542 23.4311 24.3544 -285.484 55.0955 23.4313 55.0955 -153.088 GPRESSURE: 97800 101.79 -43.4471 52.3834 29.2475 -218.054 61.2476 -16.428 62.0631 -133.557 PRESSAVG: 97800 28.661 33.8497 5.02525 33.8498 -11.3939 -17.9456 5.02523 -17.9456 -50.3989 GPRESSAVG: 97800 27.993 29.9568 6.94538 35.098 -10.9821 -19.0575 4.44746 -19.0358 -50.4985 TIMING: 97800 CPU: 284.474, 0.00287797/step Wall: 284.474, 0.00287797/step, 3.919 hours remaining, 197.957031 MB of memory in use. ENERGY: 97800 761.3052 2069.2227 1971.6848 117.1572 -205951.6006 17619.0814 0.0000 0.0000 33967.3307 -149445.8185 296.6451 -183413.1493 -149343.6608 297.7081 -120.4078 -83.2740 558464.9285 -11.0439 -11.1625 PRESSURE: 98000 74.7717 44.9589 -43.5363 44.958 -213.318 120.765 -43.5363 120.764 -51.0039 GPRESSURE: 98000 99.2246 110.199 -19.6733 -6.13045 -220.058 63.4834 -46.3797 185.727 24.0292 PRESSAVG: 98000 -0.870116 -11.1173 1.98476 -11.1172 44.3221 28.8119 1.98473 28.8119 -11.4073 GPRESSAVG: 98000 -1.28368 -9.58769 1.22842 -11.9502 43.5208 28.2226 3.55914 31.1545 -10.5474 TIMING: 98000 CPU: 285.054, 0.00289967/step Wall: 285.054, 0.00289967/step, 3.94838 hours remaining, 197.957031 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: 98000 770.8358 2090.0747 1980.6651 124.4984 -206283.2864 17763.4996 0.0000 0.0000 34123.9005 -149429.8122 298.0125 -183553.7127 -149339.1263 298.3321 -63.1833 -32.2682 558283.5033 10.6816 10.5632 PRESSURE: 98200 -48.8695 1.54994 112.097 1.54986 -188.321 -136.326 112.096 -136.327 109.275 GPRESSURE: 98200 -49.6117 0.475944 46.7149 44.6044 -92.3733 -93.7474 183.867 -222.734 104.866 PRESSAVG: 98200 9.73036 -8.27684 46.8944 -8.27692 51.3282 -30.9274 46.8943 -30.9275 -22.1039 GPRESSAVG: 98200 10.211 -5.11425 47.4359 -10.4412 51.2826 -31.6958 46.7485 -30.0823 -22.4645 TIMING: 98200 CPU: 285.638, 0.00291999/step Wall: 285.638, 0.00291999/step, 3.97589 hours remaining, 197.957031 MB of memory in use. ENERGY: 98200 748.3060 2127.6226 1957.1891 114.7008 -206261.7236 17734.8516 0.0000 0.0000 34094.6899 -149484.3635 297.7574 -183579.0534 -149390.8322 298.0634 -42.6385 -12.3731 557537.7721 12.9849 13.0097 PRESSURE: 98400 -164.621 -71.7876 89.7368 -71.7883 -53.9962 11.7935 89.7372 11.7923 -34.6274 GPRESSURE: 98400 -83.9219 -29.9157 101.189 -116.785 -14.3013 3.66869 115.829 -46.599 -49.7069 PRESSAVG: 98400 56.6148 -1.85599 5.33288 -1.85591 9.07231 -73.2 5.33284 -73.2001 -48.2546 GPRESSAVG: 98400 55.8168 -3.2575 3.26223 0.719091 9.72673 -72.4136 4.77716 -73.5969 -47.9402 TIMING: 98400 CPU: 286.225, 0.00293558/step Wall: 286.225, 0.00293558/step, 3.99695 hours remaining, 197.957031 MB of memory in use. ENERGY: 98400 737.6444 2068.4127 1964.5242 118.1139 -205719.9479 17535.3587 0.0000 0.0000 33800.2736 -149495.6204 295.1862 -183295.8940 -149401.8900 298.6223 -84.4150 -49.3101 558986.8299 5.8108 5.8678 PRESSURE: 98600 89.7659 18.0086 -44.7668 18.0078 -62.6246 -102.999 -44.7682 -102.999 129.104 GPRESSURE: 98600 111.894 2.1974 -56.1818 -7.05201 -9.13263 -154.214 -34.5213 1.79191 152.158 PRESSAVG: 98600 2.79892 -0.638619 36.4197 -0.638556 -15.101 -34.3528 36.4197 -34.3528 5.35849 GPRESSAVG: 98600 2.69944 -1.28899 36.6579 -1.9124 -16.0479 -33.1389 37.2603 -36.3317 5.91245 TIMING: 98600 CPU: 286.807, 0.00290775/step Wall: 286.807, 0.00290775/step, 3.9589 hours remaining, 197.957031 MB of memory in use. ENERGY: 98600 762.9815 2097.2166 1948.6584 118.1846 -206714.0368 18157.8030 0.0000 0.0000 34233.2344 -149395.9584 298.9674 -183629.1927 -149303.7697 297.8274 52.0818 84.9732 558370.3223 -2.3145 -2.4787 PRESSURE: 98800 -310.976 104.243 -45.4394 104.242 -37.1159 90.6777 -45.44 90.6778 -97.204 GPRESSURE: 98800 -274.741 67.2836 -125.423 74.1074 -50.7223 90.4306 -14.3993 97.5887 -18.5742 PRESSAVG: 98800 31.5886 -53.4753 33.5875 -53.4754 -46.7825 10.0602 33.5874 10.0601 5.41897 GPRESSAVG: 98800 31.398 -52.6324 36.2027 -54.97 -46.6195 9.13456 31.1855 11.1014 5.54908 TIMING: 98800 CPU: 287.391, 0.00292273/step Wall: 287.391, 0.00292273/step, 3.97913 hours remaining, 197.957031 MB of memory in use. ENERGY: 98800 763.3493 2107.0406 1967.3672 131.1866 -206286.3214 17784.1979 0.0000 0.0000 34033.9028 -149499.2771 297.2265 -183533.1799 -149405.7051 298.2849 -148.4321 -114.6793 560538.6780 -3.2583 -3.2241 PRESSURE: 99000 12.2118 -24.8163 169.955 -24.8172 -31.8918 29.8478 169.954 29.848 -26.8597 GPRESSURE: 99000 0.441215 -36.1453 188.642 0.00878184 -7.22781 -52.5763 202.198 101.86 52.2309 PRESSAVG: 99000 -0.285502 42.147 36.9266 42.147 -52.4653 -25.231 36.9266 -25.2311 13.8335 GPRESSAVG: 99000 0.22985 42.2403 33.8665 42.7412 -52.7622 -23.7355 38.0665 -26.3478 13.1346 TIMING: 99000 CPU: 287.976, 0.0029214/step Wall: 287.976, 0.0029214/step, 3.97716 hours remaining, 197.957031 MB of memory in use. ENERGY: 99000 759.9881 2122.2941 1962.0527 125.3513 -206799.7359 18099.1811 0.0000 0.0000 34219.7979 -149511.0707 298.8500 -183730.8686 -149410.4092 298.1065 -15.5132 15.1481 558237.1575 -12.9724 -13.1326 PRESSURE: 99200 136.323 -118.616 -197.811 -118.617 -63.3147 4.89081 -197.811 4.8899 -11.8688 GPRESSURE: 99200 188.465 -7.94164 -256.635 -95.9435 -29.8144 -62.9477 -108.83 9.77249 -2.01718 PRESSAVG: 99200 19.6962 -15.5184 -24.3198 -15.5184 74.0061 -26.7109 -24.3197 -26.7109 -102.154 GPRESSAVG: 99200 19.8476 -16.2551 -23.5521 -15.6801 74.6594 -27.2841 -24.6918 -25.1563 -102.653 TIMING: 99200 CPU: 288.558, 0.00290941/step Wall: 288.558, 0.00290941/step, 3.96068 hours remaining, 197.957031 MB of memory in use. ENERGY: 99200 755.6583 2090.1446 1955.8460 98.3743 -206364.0785 17989.5686 0.0000 0.0000 34088.1553 -149386.3315 297.7003 -183474.4867 -149295.4399 298.2997 20.3798 52.2113 558727.7983 -2.8172 -2.7153 PRESSURE: 99400 16.5744 -78.0634 -122.987 -78.0623 427.135 14.1464 -122.987 14.1494 188.787 GPRESSURE: 99400 102.113 -74.1549 -138.445 38.4609 403.106 1.91597 -99.7896 40.3277 219.376 PRESSAVG: 99400 37.6226 -44.1179 -36.7204 -44.1179 -19.9334 -7.25227 -36.7204 -7.25219 18.21 GPRESSAVG: 99400 37.3581 -44.2762 -36.5962 -42.852 -21.5863 -8.33446 -36.5236 -8.11498 19.9365 TIMING: 99400 CPU: 289.14, 0.00291411/step Wall: 289.14, 0.00291411/step, 3.96691 hours remaining, 197.957031 MB of memory in use. ENERGY: 99400 702.5431 2087.8507 1948.1799 114.3640 -206456.7997 18065.4900 0.0000 0.0000 34311.0309 -149227.3411 299.6468 -183538.3720 -149132.9610 298.8595 210.8322 241.5315 556858.9508 11.9664 11.9028 PRESSURE: 99600 -98.1029 -159.88 -88.2011 -159.879 2.07256 -28.9561 -88.2021 -28.9561 -71.2444 GPRESSURE: 99600 -110.544 -51.4565 4.31932 -198.462 62.9652 6.93719 -123.62 -62.0176 -13.0768 PRESSAVG: 99600 47.6116 -18.333 -36.1833 -18.3329 -36.9337 27.7627 -36.1833 27.7626 -7.97883 GPRESSAVG: 99600 47.4287 -17.0631 -35.1907 -19.2058 -36.8781 27.9031 -37.4339 28.3106 -7.59119 TIMING: 99600 CPU: 289.726, 0.00293013/step Wall: 289.726, 0.00293013/step, 3.98855 hours remaining, 197.957031 MB of memory in use. ENERGY: 99600 755.4352 2152.2814 1978.2868 110.9989 -206427.8322 17944.3264 0.0000 0.0000 34177.1827 -149309.3208 298.4778 -183486.5035 -149213.7694 298.8642 -55.7583 -20.2184 558791.2764 0.8997 0.9865 PRESSURE: 99800 21.3188 32.0254 215.254 32.0255 110.839 8.4433 215.254 8.4423 -108.027 GPRESSURE: 99800 70.1073 73.2541 269.037 37.8065 99.2578 -18.9302 219.642 70.0575 -52.714 PRESSAVG: 99800 -0.798965 -12.7635 32.5886 -12.7636 33.5738 1.89989 32.5886 1.89973 -38.4656 GPRESSAVG: 99800 -0.565961 -13.4607 32.0795 -13.9764 34.0358 0.668155 34.7323 1.07187 -39.6171 TIMING: 99800 CPU: 290.308, 0.0029097/step Wall: 290.308, 0.0029097/step, 3.96059 hours remaining, 197.957031 MB of memory in use. ENERGY: 99800 770.4717 2103.7319 1971.1186 123.3947 -206167.1885 17977.2400 0.0000 0.0000 33922.9380 -149298.2937 296.2575 -183221.2317 -149206.3778 298.1561 8.0437 38.8837 557811.7089 -1.8969 -2.0491 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.029 seconds, 200.273 MB of memory in use PRESSURE: 100000 -227.618 134.272 0.237912 134.272 -361.417 3.9752 0.23639 3.97456 2.89465 GPRESSURE: 100000 -224.774 108.433 64.033 81.3678 -304.222 5.76248 -41.2887 -30.0561 33.7246 PRESSAVG: 100000 10.952 18.3283 32.2893 18.3282 34.4982 -11.8391 32.2893 -11.8391 29.645 GPRESSAVG: 100000 10.3725 16.8732 31.247 19.9971 34.1018 -12.1027 31.5471 -10.3199 30.7544 TIMING: 100000 CPU: 290.923, 0.00307324/step Wall: 290.923, 0.00307324/step, 4.18302 hours remaining, 200.609375 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: 100000 754.5556 2111.3252 1936.6177 97.0040 -206145.5265 17645.3636 0.0000 0.0000 34391.8142 -149208.8462 300.3523 -183600.6605 -149111.3383 298.6333 -195.3802 -165.0905 559460.6546 25.0317 25.0762 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.003 seconds, 200.613 MB of memory in use PRESSURE: 100200 200.919 32.005 43.7425 32.0044 162.181 31.9224 43.742 31.9234 75.8482 GPRESSURE: 100200 228.93 30.6345 24.8872 51.7966 179.545 87.1305 28.2425 -12.8159 111.574 PRESSAVG: 100200 -2.28896 4.45874 -21.0741 4.45881 -25.9454 -41.7089 -21.0741 -41.7088 12.2244 GPRESSAVG: 100200 -2.14465 5.84642 -19.1459 3.52214 -25.6568 -41.4589 -23.7853 -40.8276 11.162 TIMING: 100200 CPU: 291.508, 0.00292427/step Wall: 291.508, 0.00292427/step, 3.98009 hours remaining, 200.617188 MB of memory in use. ENERGY: 100200 755.9207 2144.3085 2004.4932 126.0955 -206697.9642 18147.9076 0.0000 0.0000 34358.5605 -149160.6781 300.0619 -183519.2386 -149065.1839 299.1982 146.3162 173.3497 556446.9368 -5.3367 -5.5465 LDB: ============= START OF LOAD BALANCING ============== 294.972 LDB: ============== END OF LOAD BALANCING =============== 294.972 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 294.974 LDB: ============= START OF LOAD BALANCING ============== 295.261 LDB: Largest compute 4820 load 0.028765 is 24.5% of average load 0.117371 LDB: Average compute 0.001721 is 1.5% of average load 0.117371 LDB: TIME 295.264 LOAD: AVG 0.117371 MAX 0.176737 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.93 MB LDB: TIME 295.264 LOAD: AVG 0.117371 MAX 0.176737 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.133 MB LDB: TIME 295.264 LOAD: AVG 0.117371 MAX 0.176737 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 295.266 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 295.27 PRESSURE: 100400 191.948 -94.8832 -6.09722 -94.8841 -70.8461 -14.2039 -6.09676 -14.2022 137.722 GPRESSURE: 100400 281.948 -78.9173 -29.5787 -121.478 -59.0179 7.04598 59.2713 -11.1012 139.536 PRESSAVG: 100400 30.1032 -38.2725 3.09803 -38.2725 -12.5773 15.5852 3.09806 15.5852 14.7134 GPRESSAVG: 100400 29.4576 -37.9941 3.05891 -35.8123 -11.9376 15.2486 4.80512 15.8525 15.0408 TIMING: 100400 CPU: 292.095, 0.00293448/step Wall: 292.095, 0.00293448/step, 3.99383 hours remaining, 200.343750 MB of memory in use. ENERGY: 100400 721.1796 2061.8826 1982.2783 110.8693 -206527.2011 18056.0565 0.0000 0.0000 34585.4678 -149009.4670 302.0435 -183594.9348 -148903.4128 299.3448 86.2748 120.8218 556862.9490 10.7464 10.8536 PRESSURE: 100600 48.8706 -18.3839 -37.5537 -18.3842 -32.3452 -30.9212 -37.5528 -30.9204 18.7382 GPRESSURE: 100600 74.9683 -1.78998 -27.4469 -24.2521 -32.2871 34.9349 -35.7446 -36.9563 77.6821 PRESSAVG: 100600 -13.2105 24.0542 21.6591 24.0541 3.91291 -10.947 21.6591 -10.947 13.2025 GPRESSAVG: 100600 -13.3547 24.416 20.0559 22.1404 3.56776 -10.5836 23.7035 -11.2703 13.9352 TIMING: 100600 CPU: 292.671, 0.00288211/step Wall: 292.671, 0.00288211/step, 3.92239 hours remaining, 200.546875 MB of memory in use. ENERGY: 100600 761.4457 2130.5973 1959.3164 103.5913 -206348.6118 17965.2185 0.0000 0.0000 34323.2705 -149105.1721 299.7537 -183428.4426 -149020.1960 299.3478 11.7545 40.1211 557486.8462 1.3017 1.3828 PRESSURE: 100800 -202.044 -180.084 -92.6411 -180.083 292.294 -8.89333 -92.6406 -8.89252 -45.096 GPRESSURE: 100800 -151.429 -142.997 -50.6062 -139.555 309.398 94.6357 -115.22 -43.389 -5.50317 PRESSAVG: 100800 4.36926 -34.7632 -60.5813 -34.7632 30.2502 3.15959 -60.5813 3.15948 1.39689 GPRESSAVG: 100800 5.99563 -35.9811 -59.5354 -32.8309 30.3777 5.14634 -61.3666 1.30556 -0.531766 TIMING: 100800 CPU: 293.246, 0.00287449/step Wall: 293.246, 0.00287449/step, 3.91187 hours remaining, 200.546875 MB of memory in use. ENERGY: 100800 759.7029 2102.7826 1982.2219 106.6540 -206214.7280 17858.3850 0.0000 0.0000 34307.1942 -149097.7873 299.6133 -183404.9815 -148997.7528 299.2849 15.0513 50.8218 557495.0107 12.0055 11.9472 PRESSURE: 101000 34.8832 -62.4073 -86.8232 -62.4063 151.203 -114.231 -86.8235 -114.23 136.548 GPRESSURE: 101000 111.765 -80.6039 -171.2 -8.15652 134.981 -147.853 -105.963 -83.6141 159.46 PRESSAVG: 101000 58.4389 5.07369 -33.7941 5.07369 33.226 -4.20143 -33.7941 -4.2014 -39.9973 GPRESSAVG: 101000 58.9194 5.79346 -34.2916 5.53998 33.3863 -5.09976 -33.7725 -3.05035 -40.4509 TIMING: 101000 CPU: 293.823, 0.0028831/step Wall: 293.823, 0.0028831/step, 3.92342 hours remaining, 200.546875 MB of memory in use. ENERGY: 101000 729.4409 2039.5998 1990.0271 115.6083 -206042.9643 17948.2095 0.0000 0.0000 34330.7727 -148889.3060 299.8192 -183220.0787 -148799.2593 299.0741 107.5446 135.4018 558724.9223 17.2225 17.2849 PRESSURE: 101200 134.69 -73.9294 66.8913 -73.9314 321.999 138.212 66.8909 138.212 125.421 GPRESSURE: 101200 199.443 -86.9585 131.37 -121.085 330.458 114.666 104.179 74.9157 139.645 PRESSAVG: 101200 -13.32 4.79964 34.5553 4.79962 64.6804 21.5807 34.5553 21.5808 -48.9505 GPRESSAVG: 101200 -13.7437 6.66438 33.1911 2.17549 63.3786 21.7131 36.7341 21.0336 -47.0032 TIMING: 101200 CPU: 294.4, 0.00288648/step Wall: 294.4, 0.00288648/step, 3.92786 hours remaining, 200.546875 MB of memory in use. ENERGY: 101200 744.3859 2052.8386 1957.2752 109.8774 -206292.6654 18218.8511 0.0000 0.0000 34132.9813 -149076.4561 298.0918 -183209.4374 -148976.9822 299.7422 194.0367 223.1817 557619.6393 0.8033 0.8772 PRESSURE: 101400 236.547 -66.251 -78.8672 -66.2515 189.37 -150.771 -78.8666 -150.769 -44.237 GPRESSURE: 101400 266.969 -44.1457 -41.8021 -99.9915 161.749 -69.7447 -93.1624 -134.368 62.0605 PRESSAVG: 101400 39.9222 -38.9149 -23.9243 -38.915 -41.2453 -7.70926 -23.9243 -7.70923 -26.7057 GPRESSAVG: 101400 39.2747 -41.6671 -22.9439 -37.224 -40.3149 -9.27272 -26.4219 -7.19795 -26.8979 TIMING: 101400 CPU: 294.978, 0.00288877/step Wall: 294.978, 0.00288877/step, 3.93082 hours remaining, 200.546875 MB of memory in use. ENERGY: 101400 735.6003 2087.2049 1980.5425 120.8023 -206391.0642 18122.0959 0.0000 0.0000 34229.5868 -149115.2314 298.9355 -183344.8183 -149026.3567 299.1916 127.2266 163.5928 557498.7683 -9.3429 -9.3127 PRESSURE: 101600 234.564 -27.7175 -38.3259 -27.718 -354.051 -32.357 -38.326 -32.3593 -58.7635 GPRESSURE: 101600 270.803 -75.0287 16.9005 -67.3696 -370.455 -123.653 -83.6381 66.0612 21.9522 PRESSAVG: 101600 -28.8845 30.7237 -15.3615 30.7236 25.1187 44.5581 -15.3615 44.558 0.610124 GPRESSAVG: 101600 -28.2867 30.9119 -15.3461 30.8681 24.8544 44.7686 -14.4986 44.7872 0.676022 TIMING: 101600 CPU: 295.557, 0.00289814/step Wall: 295.557, 0.00289814/step, 3.9434 hours remaining, 200.546875 MB of memory in use. ENERGY: 101600 771.5137 2124.6613 1964.2444 97.1274 -206202.8619 17860.3435 0.0000 0.0000 34312.3916 -149072.5801 299.6586 -183384.9717 -148967.3031 299.5856 -59.4168 -25.9002 557312.0534 -1.0519 -0.9188 PRESSURE: 101800 -70.6129 91.3688 -205.646 91.368 -309.09 -63.3801 -205.647 -63.378 -241.156 GPRESSURE: 101800 -91.7119 119.649 -305.818 -3.01851 -218.29 -129.646 -159.702 -30.8637 -210.153 PRESSAVG: 101800 -27.8842 -8.32601 15.708 -8.3259 -44.2533 -14.026 15.7079 -14.0262 53.5906 GPRESSAVG: 101800 -28.1322 -7.54502 15.8088 -10.0646 -44.0161 -13.2389 15.1062 -13.0756 53.4169 TIMING: 101800 CPU: 296.136, 0.00289491/step Wall: 296.136, 0.00289491/step, 3.93884 hours remaining, 200.546875 MB of memory in use. ENERGY: 101800 735.5802 2165.7292 1963.9271 113.5348 -205607.2671 17413.8873 0.0000 0.0000 34390.7578 -148823.8507 300.3430 -183214.6085 -148728.2641 299.8727 -206.9532 -173.3851 559231.7990 -6.1823 -6.2438 PRESSURE: 102000 94.1019 98.5541 -70.8005 98.553 69.1571 -83.3545 -70.7997 -83.354 121.948 GPRESSURE: 102000 137.415 23.9019 -8.08655 110.099 116.516 20.7865 -88.7692 -84.0632 130.705 PRESSAVG: 102000 6.45723 -50.1613 -3.37344 -50.1613 -29.2831 -27.1566 -3.37349 -27.1566 -11.8968 GPRESSAVG: 102000 6.67052 -51.07 -3.5307 -49.0974 -29.3751 -26.9849 -4.11631 -28.8352 -12.7074 TIMING: 102000 CPU: 296.714, 0.00288681/step Wall: 296.714, 0.00288681/step, 3.92767 hours remaining, 200.546875 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: 102000 695.7931 2123.2093 1962.1239 142.2905 -205998.9952 17822.2809 0.0000 0.0000 34413.3000 -148839.9975 300.5399 -183253.2975 -148740.0974 300.4073 95.0689 128.2121 557044.7253 -11.5742 -11.8040 PRESSURE: 102200 133.975 -89.683 8.59207 -89.6826 -241.25 -6.55054 8.5918 -6.55151 102.491 GPRESSURE: 102200 114.275 -96.7582 26.7844 -84.3696 -170.554 -41.3061 23.4744 19.4281 161.118 PRESSAVG: 102200 -18.8406 -98.0586 83.9076 -98.0586 -26.3561 -8.57093 83.9077 -8.57083 -5.89387 GPRESSAVG: 102200 -18.7759 -96.3766 86.0329 -98.2127 -25.5742 -7.83058 84.1718 -7.95602 -6.28037 TIMING: 102200 CPU: 297.294, 0.00290344/step Wall: 297.294, 0.00290344/step, 3.95013 hours remaining, 200.546875 MB of memory in use. ENERGY: 102200 740.6204 2058.2977 1953.3541 121.4346 -206028.1530 17834.2624 0.0000 0.0000 34512.2078 -148807.9761 301.4037 -183320.1839 -148710.8564 300.1568 -1.5948 34.9462 558940.6074 -17.0302 -16.8768 PRESSURE: 102400 -14.605 -103.624 153.107 -103.623 -128.829 -87.4032 153.108 -87.4032 -153.084 GPRESSURE: 102400 37.2025 -136.084 127.36 -108.692 -113.232 15.7401 102.921 -125.674 -128.069 PRESSAVG: 102400 -3.80694 -34.8769 -42.0535 -34.8769 35.0936 -37.0739 -42.0535 -37.0739 -24.5787 GPRESSAVG: 102400 -2.99149 -36.2475 -43.4455 -35.5675 34.0639 -39.4769 -41.8135 -37.0647 -24.7556 TIMING: 102400 CPU: 297.873, 0.00289125/step Wall: 297.873, 0.00289125/step, 3.93338 hours remaining, 200.546875 MB of memory in use. ENERGY: 102400 701.8305 2061.5824 2004.3011 117.5244 -205383.3347 17459.3610 0.0000 0.0000 34389.1707 -148649.5646 300.3292 -183038.7353 -148547.8330 300.2780 -98.8393 -68.0330 558857.2925 2.2360 2.1056 PRESSURE: 102600 181.094 -67.0143 102.883 -67.0136 74.3535 7.39218 102.882 7.39086 -51.3945 GPRESSURE: 102600 138.095 19.1915 65.9392 -53.3162 88.1963 -19.335 30.1563 -39.6622 54.2844 PRESSAVG: 102600 23.6132 5.87177 28.5597 5.87178 -64.0593 14.4494 28.5596 14.4495 22.2018 GPRESSAVG: 102600 22.7012 6.43163 28.7297 6.99664 -64.0241 16.0969 30.6171 13.488 22.9972 TIMING: 102600 CPU: 298.451, 0.00288997/step Wall: 298.451, 0.00288997/step, 3.93148 hours remaining, 200.546875 MB of memory in use. ENERGY: 102600 725.0560 2103.0115 1960.5912 107.0235 -206147.7643 17961.4976 0.0000 0.0000 34619.3890 -148671.1954 302.3397 -183290.5845 -148581.7571 300.2495 68.0175 93.5252 557416.3764 -6.0814 -6.1086 PRESSURE: 102800 19.6604 15.294 -210.933 15.2943 195.966 -161.098 -210.932 -161.098 -115.046 GPRESSURE: 102800 107.984 18.3784 -222.091 -32.5844 179.189 -87.4448 -159.909 -155.056 -91.1085 PRESSAVG: 102800 33.2704 20.9664 0.386782 20.9665 6.39206 8.41834 0.386693 8.41832 2.31284 GPRESSAVG: 102800 33.8287 20.457 -1.24007 21.0222 5.60352 10.3831 -0.080187 7.10174 2.53247 TIMING: 102800 CPU: 299.029, 0.00289363/step Wall: 299.029, 0.00289363/step, 3.9363 hours remaining, 200.546875 MB of memory in use. ENERGY: 102800 740.2810 2098.8630 1965.8316 121.4321 -206152.3820 17929.6518 0.0000 0.0000 34499.6886 -148796.6340 301.2944 -183296.3226 -148703.9901 300.7703 33.5266 65.3548 557224.0050 13.9918 13.9882 PRESSURE: 103000 8.75788 -86.5126 -41.5498 -86.5128 56.2299 -175.43 -41.5501 -175.431 -69.9884 GPRESSURE: 103000 -13.8137 -67.605 -106.333 -84.2684 61.439 -254.415 3.02131 -117.046 29.585 PRESSAVG: 103000 67.0469 -42.1158 -43.7894 -42.1159 37.5555 -42.7294 -43.7894 -42.7294 -81.7727 GPRESSAVG: 103000 66.8973 -41.6909 -43.9979 -42.5871 37.0613 -44.8488 -43.9139 -39.9238 -81.233 TIMING: 103000 CPU: 299.616, 0.00293531/step Wall: 299.616, 0.00293531/step, 3.99284 hours remaining, 200.546875 MB of memory in use. ENERGY: 103000 737.4409 2172.1119 1954.3723 123.5058 -205829.0028 17625.0043 0.0000 0.0000 34444.2752 -148772.2924 300.8104 -183216.5676 -148682.6753 300.5726 -1.6669 25.7368 557534.0047 7.6099 7.5752 PRESSURE: 103200 34.663 -79.9705 -13.6049 -79.9703 323.296 -80.202 -13.603 -80.2039 169.225 GPRESSURE: 103200 120.032 -96.4883 -57.5761 -113.189 344.845 -36.9798 39.4544 -54.3318 159.5 PRESSAVG: 103200 27.9012 63.496 -39.1432 63.496 -10.065 5.08485 -39.1431 5.08482 -34.949 GPRESSAVG: 103200 28.1768 63.9556 -37.3581 61.8923 -10.0103 3.68731 -41.0157 6.0075 -35.6974 TIMING: 103200 CPU: 300.203, 0.0029345/step Wall: 300.203, 0.0029345/step, 3.99157 hours remaining, 200.546875 MB of memory in use. ENERGY: 103200 772.7756 2117.1069 2000.8219 114.0977 -206426.5976 18068.7299 0.0000 0.0000 34545.2748 -148807.7908 301.6925 -183353.0656 -148707.6768 301.0232 175.7281 208.1259 557380.5792 -5.7043 -5.8436 PRESSURE: 103400 52.7141 -52.6473 160.35 -52.6483 18.6433 144.188 160.351 144.19 266.611 GPRESSURE: 103400 44.4289 -34.6563 126.368 -4.62404 53.7633 217.329 99.0325 76.7414 335.274 PRESSAVG: 103400 -0.616069 17.1902 66.9287 17.1903 2.26795 39.3804 66.9288 39.3804 23.7214 GPRESSAVG: 103400 -0.282524 16.1815 67.07 17.7206 2.79013 39.7529 67.137 37.2483 23.4566 TIMING: 103400 CPU: 300.789, 0.00292758/step Wall: 300.789, 0.00292758/step, 3.982 hours remaining, 200.546875 MB of memory in use. ENERGY: 103400 784.0516 2093.9730 1964.1390 122.4997 -206239.2568 18107.0179 0.0000 0.0000 34298.8340 -148868.7415 299.5402 -183167.5755 -148771.9308 300.3695 112.6561 144.4887 558161.8710 8.4577 8.6547 PRESSURE: 103600 -234.968 181.421 -30.2598 181.421 5.84628 71.491 -30.2595 71.4915 -91.7738 GPRESSURE: 103600 -264.125 205.296 26.693 95.7337 112.084 128.133 11.603 59.2694 -70.2532 PRESSAVG: 103600 -21.3316 3.27905 9.97979 3.27896 41.7958 52.8556 9.9798 52.8555 -13.8102 GPRESSAVG: 103600 -21.8319 6.32952 9.54893 1.89566 42.1874 53.8722 10.4013 53.4554 -13.4353 TIMING: 103600 CPU: 301.372, 0.00291608/step Wall: 301.372, 0.00291608/step, 3.96619 hours remaining, 200.546875 MB of memory in use. ENERGY: 103600 744.4718 2060.8350 1962.2481 99.8005 -205660.0041 17550.5621 0.0000 0.0000 34384.4650 -148857.6217 300.2881 -183242.0866 -148756.2847 300.7028 -106.9651 -74.0982 559230.4556 2.2180 2.3067 PRESSURE: 103800 -176.904 54.376 12.7492 54.3764 -22.6159 -38.4461 12.7496 -38.4469 -303.483 GPRESSURE: 103800 -85.1918 78.6558 -37.1194 48.564 -61.9683 3.18758 96.5689 -76.2452 -252.663 PRESSAVG: 103800 -70.679 9.40176 -25.388 9.40178 36.7776 -57.2507 -25.3879 -57.2507 29.0388 GPRESSAVG: 103800 -71.0774 5.57296 -26.0385 12.4459 36.7776 -58.2062 -24.3945 -56.423 28.7327 TIMING: 103800 CPU: 301.951, 0.00289522/step Wall: 301.951, 0.00289522/step, 3.93766 hours remaining, 200.546875 MB of memory in use. ENERGY: 103800 757.1227 2068.7042 1991.5942 99.1400 -205796.7159 17549.2061 0.0000 0.0000 34320.8986 -149010.0501 299.7329 -183330.9487 -148920.2664 299.9416 -167.6678 -133.2743 559761.2060 -1.6209 -1.8557 PRESSURE: 104000 389.434 -130.899 -59.8296 -130.899 88.7879 14.8744 -59.8298 14.8753 -196.909 GPRESSURE: 104000 444.116 -12.9175 -94.0226 -150.74 114.547 81.4133 -21.2221 22.1071 -170.839 PRESSAVG: 104000 -37.2722 -19.2671 14.7805 -19.2672 31.2281 -54.8486 14.7805 -54.8486 2.84691 GPRESSAVG: 104000 -36.7151 -18.7785 14.8596 -20.3898 31.3171 -55.5999 13.6727 -54.1824 2.97064 TIMING: 104000 CPU: 302.53, 0.002895/step Wall: 302.53, 0.002895/step, 3.9372 hours remaining, 200.546875 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: 104000 743.8140 2088.8805 1990.1052 107.7493 -206367.2787 18094.0619 0.0000 0.0000 34165.5975 -149177.0702 298.3767 -183342.6677 -149079.7124 299.7153 93.7708 129.2747 556775.2074 -1.0657 -0.8091 PRESSURE: 104200 -111.014 60.5556 -27.081 60.5536 38.0499 83.4388 -27.0811 83.4376 -146.424 GPRESSURE: 104200 -106.903 64.282 -18.6555 120.669 154.549 144.934 -32.5985 4.9799 -169.809 PRESSAVG: 104200 15.0328 -35.1801 -3.91536 -35.1801 17.8282 -16.8709 -3.91538 -16.8709 -43.6583 GPRESSAVG: 104200 14.8069 -34.7712 -4.00827 -35.4704 17.565 -13.2917 -3.441 -18.3301 -43.3808 TIMING: 104200 CPU: 303.11, 0.00289737/step Wall: 303.11, 0.00289737/step, 3.94026 hours remaining, 200.546875 MB of memory in use. ENERGY: 104200 729.2671 2032.0980 1976.1129 105.8929 -205985.7643 17674.6635 0.0000 0.0000 34326.8414 -149140.8886 299.7848 -183467.7300 -149042.0288 298.3975 -73.1292 -40.7209 557170.3050 -3.5991 -3.6697 LDB: ============= START OF LOAD BALANCING ============== 306.577 LDB: ============== END OF LOAD BALANCING =============== 306.578 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 306.579 LDB: ============= START OF LOAD BALANCING ============== 306.869 LDB: Largest compute 4820 load 0.028433 is 24.2% of average load 0.117374 LDB: Average compute 0.001729 is 1.5% of average load 0.117374 LDB: TIME 306.871 LOAD: AVG 0.117374 MAX 0.177323 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.918 MB LDB: TIME 306.871 LOAD: AVG 0.117374 MAX 0.177323 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.988 MB LDB: TIME 306.872 LOAD: AVG 0.117374 MAX 0.177323 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 306.873 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 306.878 PRESSURE: 104400 161.034 -11.0563 4.77735 -11.0567 -40.5826 -17.6994 4.77725 -17.6984 40.1943 GPRESSURE: 104400 245.452 -5.51908 50.8889 -32.7087 -32.2137 -27.6269 -15.6895 5.97141 51.2463 PRESSAVG: 104400 -19.5809 20.3399 -1.30695 20.3399 7.6933 38.8328 -1.30692 38.8329 34.2357 GPRESSAVG: 104400 -20.0424 21.0315 -1.0968 19.5076 7.8306 38.5693 -0.138403 36.1429 34.4495 TIMING: 104400 CPU: 303.702, 0.00296451/step Wall: 303.702, 0.00296451/step, 4.0314 hours remaining, 201.558594 MB of memory in use. ENERGY: 104400 721.1418 2141.6420 1990.5586 109.3503 -206025.5440 17626.9399 0.0000 0.0000 34474.2190 -148961.6924 301.0719 -183435.9114 -148865.9704 299.6921 53.5486 88.1614 554393.8971 7.4494 7.4125 PRESSURE: 104600 -184.04 -110.4 -42.7969 -110.401 -121.539 -122.337 -42.7965 -122.338 -418.757 GPRESSURE: 104600 -204.05 -143.87 25.0069 -31.0622 -41.4161 -167.875 -74.4469 -127.824 -395.382 PRESSAVG: 104600 -11.6887 -51.8473 -4.32696 -51.8473 12.4722 23.5749 -4.32703 23.5749 -3.19211 GPRESSAVG: 104600 -11.5985 -52.4723 -4.60301 -50.2276 13.4944 20.6893 -4.41393 27.2073 -4.00095 TIMING: 104600 CPU: 304.284, 0.00290831/step Wall: 304.284, 0.00290831/step, 3.95482 hours remaining, 201.628906 MB of memory in use. ENERGY: 104600 806.1385 2039.0009 1965.9749 106.7286 -205791.3988 17415.7284 0.0000 0.0000 34435.5718 -149022.2557 300.7344 -183457.8275 -148921.9566 300.5219 -241.4452 -213.6160 556397.1282 -0.8029 -0.7017 PRESSURE: 104800 182.914 69.1433 -6.66083 69.1428 322.697 -89.8682 -6.66125 -89.8673 118.485 GPRESSURE: 104800 238.863 39.6866 -20.3746 78.9046 323.811 -16.9817 -41.6911 -106.462 146.033 PRESSAVG: 104800 -2.89662 -2.91252 16.5856 -2.91262 47.2285 81.8437 16.5856 81.8437 -38.0488 GPRESSAVG: 104800 -1.51798 -3.10576 17.2801 -2.77301 45.2709 84.5913 17.1172 79.1259 -36.9466 TIMING: 104800 CPU: 304.862, 0.00288773/step Wall: 304.862, 0.00288773/step, 3.92667 hours remaining, 201.628906 MB of memory in use. ENERGY: 104800 708.8466 2086.8695 1983.4275 118.1969 -206379.7716 17976.6373 0.0000 0.0000 34277.3836 -149228.4101 299.3529 -183505.7937 -149139.1716 300.2797 208.0323 236.2354 554771.9657 2.0944 2.2688 PRESSURE: 105000 235.791 112.145 41.8694 112.144 -261.546 115.739 41.8704 115.738 -119.109 GPRESSURE: 105000 268.551 121.031 104.551 110.075 -234.123 135.68 6.37119 -4.62065 -74.9921 PRESSAVG: 105000 2.9507 -41.2806 -7.97501 -41.2807 49.459 -17.4812 -7.97498 -17.4811 -50.6946 GPRESSAVG: 105000 2.91651 -42.1153 -7.76843 -41.1681 50.2081 -18.6943 -8.59312 -15.4925 -50.6153 TIMING: 105000 CPU: 305.442, 0.00290428/step Wall: 305.442, 0.00290428/step, 3.94902 hours remaining, 201.628906 MB of memory in use. ENERGY: 105000 754.3805 2069.4492 1996.4625 111.4411 -206297.1419 17837.5594 0.0000 0.0000 34161.2578 -149366.5914 298.3388 -183527.8492 -149274.3368 299.2840 -48.2881 -13.5214 556633.1954 0.5717 0.8365 PRESSURE: 105200 -251.782 4.79911 155.771 4.80003 125.453 64.9078 155.771 64.909 -412.055 GPRESSURE: 105200 -202.253 20.3605 120.944 -14.7198 101.408 52.9327 161.106 93.9485 -341.708 PRESSAVG: 105200 -33.5822 52.6398 7.6669 52.6398 43.7306 21.77 7.66682 21.77 -39.922 GPRESSAVG: 105200 -33.9418 50.4332 5.52356 51.127 44.0037 23.2258 7.94443 21.0072 -39.6323 TIMING: 105200 CPU: 306.024, 0.00290955/step Wall: 306.024, 0.00290955/step, 3.95602 hours remaining, 201.628906 MB of memory in use. ENERGY: 105200 734.0804 2029.9855 2005.0310 119.0750 -206013.8078 17507.2093 0.0000 0.0000 34085.8479 -149532.5787 297.6802 -183618.4266 -149434.7590 298.2151 -179.4611 -147.5177 555245.3539 -9.9245 -9.8568 PRESSURE: 105400 -176.667 120.895 -124.732 120.896 3.90765 2.87256 -124.732 2.87352 127.356 GPRESSURE: 105400 -175.677 133.717 -128.506 30.926 68.0236 16.1904 -131.883 -48.631 154.458 PRESSAVG: 105400 -90.1832 -10.0953 -18.8034 -10.0952 69.5751 1.67259 -18.8033 1.67265 26.8378 GPRESSAVG: 105400 -90.406 -5.97101 -18.6219 -11.4537 70.1283 2.55522 -18.0838 -1.01546 26.6656 TIMING: 105400 CPU: 306.606, 0.00290769/step Wall: 306.606, 0.00290769/step, 3.95333 hours remaining, 201.765625 MB of memory in use. ENERGY: 105400 746.3574 2100.1863 1960.8151 134.4824 -206220.8453 17607.4772 0.0000 0.0000 34284.9725 -149386.5544 299.4192 -183671.5269 -149294.1776 298.4457 -15.1346 15.6015 555647.3195 2.0765 2.1293 PRESSURE: 105600 42.8786 89.2127 95.3865 89.213 -139.449 127.905 95.3861 127.906 264.83 GPRESSURE: 105600 48.68 79.0224 95.2786 36.15 -68.5964 100.425 114.188 58.9331 277.955 PRESSAVG: 105600 -50.103 -24.1902 6.6084 -24.1901 -32.6916 38.7906 6.60846 38.7906 69.0194 GPRESSAVG: 105600 -49.6203 -24.9529 7.26093 -22.4915 -32.3338 36.8884 8.24576 41.311 67.961 TIMING: 105600 CPU: 307.185, 0.00289751/step Wall: 307.185, 0.00289751/step, 3.93932 hours remaining, 201.765625 MB of memory in use. ENERGY: 105600 784.3933 2054.5198 1979.3346 118.2100 -206686.0137 18043.7501 0.0000 0.0000 34361.8534 -149343.9526 300.0906 -183705.8060 -149248.4210 298.7910 56.0864 86.0130 556269.4502 -4.5917 -4.6644 PRESSURE: 105800 126.289 -115.527 83.679 -115.528 48.3649 -125.669 83.6799 -125.67 -148.023 GPRESSURE: 105800 55.874 -76.3425 165.725 0.501456 120.929 -70.4341 39.1621 -139.599 -50.188 PRESSAVG: 105800 10.2382 -0.570386 21.4738 -0.5704 -21.8546 51.3364 21.4738 51.3364 -7.10085 GPRESSAVG: 105800 10.9319 -1.65328 22.6734 -0.981415 -23.8423 51.8908 17.3128 50.0059 -6.06638 TIMING: 105800 CPU: 307.765, 0.00289989/step Wall: 307.765, 0.00289989/step, 3.9424 hours remaining, 201.765625 MB of memory in use. ENERGY: 105800 741.0086 2071.5828 1978.0587 113.0202 -206655.5938 18056.3441 0.0000 0.0000 34460.7007 -149234.8787 300.9539 -183695.5794 -149142.1278 299.4026 8.8768 42.2049 558128.9236 -6.2391 -6.3256 PRESSURE: 106000 -232.586 -98.1547 49.4079 -98.1557 -32.7856 63.4608 49.4077 63.4601 -232.63 GPRESSURE: 106000 -213.078 -46.8622 103.244 -98.3281 -12.3942 97.9998 67.739 -20.9278 -178.049 PRESSAVG: 106000 -79.4493 -10.0758 64.7709 -10.0758 78.4908 26.6177 64.7709 26.6176 2.41806 GPRESSAVG: 106000 -79.6508 -10.4975 65.61 -10.4404 79.9433 25.3748 65.1109 26.8468 0.590499 TIMING: 106000 CPU: 308.346, 0.00290309/step Wall: 308.346, 0.00290309/step, 3.94658 hours remaining, 201.765625 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: 106000 764.9531 2095.9272 1980.6247 108.3611 -205936.4819 17629.0679 0.0000 0.0000 33982.6174 -149374.9305 296.7787 -183357.5480 -149276.0736 298.9293 -166.0005 -134.5070 559380.9011 0.4865 0.2943 PRESSURE: 106200 -136.897 -78.2834 -38.2725 -78.2837 27.3935 46.1096 -38.2719 46.109 -114.391 GPRESSURE: 106200 -70.7943 -194.536 -91.27 18.0195 51.5215 46.5849 -107.684 -30.8513 -98.0053 PRESSAVG: 106200 -56.0886 -78.9201 32.6276 -78.9201 65.9305 -17.89 32.6276 -17.8899 -7.87195 GPRESSAVG: 106200 -56.953 -78.205 31.8055 -78.0162 65.7428 -17.6429 32.8109 -18.1003 -6.76438 TIMING: 106200 CPU: 308.93, 0.00292044/step Wall: 308.93, 0.00292044/step, 3.97001 hours remaining, 201.765625 MB of memory in use. ENERGY: 106200 713.8763 2084.8336 1970.6290 110.9196 -206651.9500 17949.7619 0.0000 0.0000 34482.6320 -149339.2976 301.1454 -183821.9296 -149234.4997 299.2668 -74.6315 -39.0927 558052.4461 0.6566 0.6751 PRESSURE: 106400 102.398 51.6267 -70.8457 51.6254 -184.569 -126.146 -70.8462 -126.147 69.9517 GPRESSURE: 106400 156.795 117.114 42.211 28.2162 -112.059 -205.34 -99.7325 -65.4525 32.4937 PRESSAVG: 106400 21.9302 -48.9565 -32.1216 -48.9565 -54.052 14.7088 -32.1217 14.7089 0.040551 GPRESSAVG: 106400 21.6793 -49.8439 -32.2943 -48.482 -53.5301 13.2272 -31.5755 16.0784 -0.588271 TIMING: 106400 CPU: 309.516, 0.00292706/step Wall: 309.516, 0.00292706/step, 3.97885 hours remaining, 201.765625 MB of memory in use. ENERGY: 106400 741.8451 2125.6498 1960.4215 111.3610 -206400.7323 17922.6809 0.0000 0.0000 34171.6441 -149367.1300 298.4295 -183538.7740 -149264.3580 298.8864 -4.0729 25.7432 558530.7108 -10.6937 -10.8130 PRESSURE: 106600 -459.315 -97.6427 82.975 -97.6416 -180.701 -23.2254 82.9763 -23.2255 -223.619 GPRESSURE: 106600 -388.297 -51.3985 42.8472 -81.0451 -216.252 -86.0905 85.5115 66.8351 -156.464 PRESSAVG: 106600 -1.99619 4.5779 -6.20396 4.57793 -48.2476 0.117148 -6.20389 0.11707 21.6521 GPRESSAVG: 106600 -1.96938 3.98062 -6.33473 4.54096 -47.7398 -0.43715 -7.42031 0.939119 20.8043 TIMING: 106600 CPU: 310.099, 0.00291514/step Wall: 310.099, 0.00291514/step, 3.96249 hours remaining, 201.765625 MB of memory in use. ENERGY: 106600 766.1667 2115.0150 1973.9614 118.6079 -206077.4842 17711.7532 0.0000 0.0000 34174.8450 -149217.1350 298.4574 -183391.9801 -149120.4773 298.9310 -287.8784 -253.6708 559412.9478 -9.5306 -9.6350 PRESSURE: 106800 85.0857 88.9424 -111.784 88.9417 -11.836 79.9466 -111.783 79.9458 -193.261 GPRESSURE: 106800 102.642 132.576 -81.3863 108.867 45.0688 57.9125 -20.2207 81.2862 -175.57 PRESSAVG: 106800 7.82955 21.2136 27.3816 21.2136 34.1435 -23.1135 27.3817 -23.1136 -42.5899 GPRESSAVG: 106800 7.10446 19.6258 26.6498 21.4625 33.4019 -21.6821 30.0826 -25.1429 -40.9438 TIMING: 106800 CPU: 310.685, 0.00293246/step Wall: 310.685, 0.00293246/step, 3.98587 hours remaining, 201.968750 MB of memory in use. ENERGY: 106800 731.4338 2104.2378 1938.0620 113.1650 -205871.9280 17603.3431 0.0000 0.0000 34085.5342 -149296.1521 297.6774 -183381.6863 -149200.8399 298.5708 -40.0038 -9.2863 558738.2267 -0.2056 -0.1458 PRESSURE: 107000 -15.91 0.66393 10.7796 0.663987 72.1072 35.8131 10.7803 35.8108 74.1579 GPRESSURE: 107000 8.06312 7.81391 -70.8486 2.782 97.3648 -5.18677 98.9259 41.4399 114.489 PRESSAVG: 107000 11.7574 29.5063 -3.23643 29.5063 39.8877 -14.5397 -3.2364 -14.5397 -33.9976 GPRESSAVG: 107000 13.3985 30.1092 -3.64303 31.1513 39.4935 -14.8979 -4.33028 -12.6715 -35.8618 TIMING: 107000 CPU: 311.27, 0.00292665/step Wall: 311.27, 0.00292665/step, 3.9778 hours remaining, 201.968750 MB of memory in use. ENERGY: 107000 753.9814 2125.4965 1940.0061 115.1691 -206196.0962 17862.8631 0.0000 0.0000 34035.3602 -149363.2198 297.2393 -183398.5801 -149266.3510 298.6404 43.4517 73.3055 558122.7777 5.8825 5.6768 PRESSURE: 107200 -103.833 21.2741 70.6628 21.2735 -109.928 -168.574 70.6625 -168.575 178.817 GPRESSURE: 107200 -49.5653 47.5746 99.0807 -44.2166 -57.2731 -224.309 33.0658 -77.81 166.65 PRESSAVG: 107200 -56.9369 1.42837 1.3158 1.42843 -12.892 17.3716 1.31582 17.3717 43.3776 GPRESSAVG: 107200 -58.2769 0.367085 3.41932 -0.074285 -12.2109 17.2454 0.0565256 18.0898 43.8568 TIMING: 107200 CPU: 311.852, 0.00290762/step Wall: 311.852, 0.00290762/step, 3.95178 hours remaining, 201.968750 MB of memory in use. ENERGY: 107200 748.3805 2116.9853 1948.6035 104.5746 -206390.0492 17786.9163 0.0000 0.0000 34312.5002 -149372.0888 299.6596 -183684.5890 -149281.5681 297.6961 -11.6482 19.9372 557770.5050 -8.8171 -8.8770 PRESSURE: 107400 29.2208 -50.1978 0.155761 -50.1987 44.1742 -251.25 0.155053 -251.248 114.094 GPRESSURE: 107400 100.415 -20.4459 17.7902 -62.1345 25.6762 -199.922 -0.192607 -211.679 147.623 PRESSAVG: 107400 5.83516 -34.697 27.2024 -34.6971 -15.1828 -15.4037 27.2023 -15.4035 18.6882 GPRESSAVG: 107400 6.5884 -32.2221 27.3358 -37.812 -16.5578 -12.8725 27.8362 -16.8429 18.9239 TIMING: 107400 CPU: 312.434, 0.00291171/step Wall: 312.434, 0.00291171/step, 3.95717 hours remaining, 201.968750 MB of memory in use. ENERGY: 107400 731.5341 2078.7352 1948.5229 108.1924 -205856.2926 17773.5354 0.0000 0.0000 33977.0845 -149238.6880 296.7303 -183215.7725 -149146.6513 298.5360 62.4964 91.2380 556719.4996 3.1135 2.9849 PRESSURE: 107600 -82.5696 124.992 -39.7616 124.99 132.148 29.9316 -39.7612 29.9326 -538.439 GPRESSURE: 107600 -63.8681 106.379 38.509 104.828 124.717 -1.08857 -82.8145 55.8215 -448.704 PRESSAVG: 107600 -11.349 -47.4442 -22.2141 -47.4444 40.6884 41.0036 -22.2141 41.0037 -6.77456 GPRESSAVG: 107600 -11.9028 -47.413 -24.2036 -45.6078 42.8076 41.8999 -22.1117 38.7053 -8.0752 TIMING: 107600 CPU: 313.015, 0.00290578/step Wall: 313.015, 0.00290578/step, 3.94896 hours remaining, 201.968750 MB of memory in use. ENERGY: 107600 746.3352 2088.1096 1943.9798 114.9520 -205866.8752 17567.4956 0.0000 0.0000 34123.6341 -149282.3689 298.0102 -183406.0029 -149190.1804 298.8989 -162.9533 -129.2850 556832.8183 7.5216 7.6099 PRESSURE: 107800 -287.24 62.9405 17.4748 62.9415 -139.788 -95.0072 17.4743 -95.006 -246.802 GPRESSURE: 107800 -236.479 63.4969 167.733 68.9829 -137.456 -88.7502 -25.7939 -51.4187 -206.946 PRESSAVG: 107800 -79.7787 24.7092 -2.22122 24.7092 86.3378 29.6261 -2.22121 29.6261 -21.2012 GPRESSAVG: 107800 -79.9585 26.4251 -2.02442 23.0257 84.6238 26.9168 -2.36953 31.1763 -19.3259 TIMING: 107800 CPU: 313.594, 0.00289433/step Wall: 313.594, 0.00289433/step, 3.93324 hours remaining, 201.968750 MB of memory in use. ENERGY: 107800 758.2862 2079.6398 1949.3519 117.5415 -205962.6086 17544.8922 0.0000 0.0000 34240.0471 -149272.8499 299.0268 -183512.8970 -149178.5964 299.3802 -224.6103 -193.6273 558173.9167 -4.8807 -4.8868 PRESSURE: 108000 -33.4023 15.1798 -74.261 15.1767 -123.856 55.8816 -74.2606 55.8811 -3.18029 GPRESSURE: 108000 13.8938 -91.3646 -54.5692 69.4065 -102.327 94.1316 -101.305 126.507 28.1891 PRESSAVG: 108000 -54.5032 30.105 -51.1266 30.1051 14.5791 -42.6553 -51.1266 -42.6554 6.14407 GPRESSAVG: 108000 -53.7129 28.2958 -50.5749 32.281 15.8877 -42.4176 -49.2838 -43.092 4.14263 TIMING: 108000 CPU: 314.173, 0.00289492/step Wall: 314.173, 0.00289492/step, 3.93387 hours remaining, 201.968750 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: 108000 761.9356 2058.9428 1979.2052 102.7193 -206054.7195 17584.6600 0.0000 0.0000 34220.3026 -149346.9540 298.8544 -183567.2566 -149243.6602 298.8619 -53.4797 -20.0812 556188.2979 -11.2600 -11.2276 PRESSURE: 108200 556.085 215.317 -100.704 215.317 114.857 -130.098 -100.705 -130.097 129.405 GPRESSURE: 108200 554.433 142.841 -77.842 283.725 190.75 -110.183 -93.054 -212.794 160.34 PRESSAVG: 108200 -17.7183 40.2697 29.4688 40.2697 17.4036 -22.0002 29.4688 -22.0002 -33.7104 GPRESSAVG: 108200 -19.0187 40.9416 28.048 40.141 17.332 -22.6468 28.395 -22.2962 -32.6237 TIMING: 108200 CPU: 314.752, 0.00289486/step Wall: 314.752, 0.00289486/step, 3.93364 hours remaining, 201.968750 MB of memory in use. ENERGY: 108200 766.8306 2034.5930 1951.5541 113.6375 -206433.7397 18144.0679 0.0000 0.0000 34233.6144 -149189.4423 298.9707 -183423.0567 -149100.4470 299.8858 266.7824 301.8409 554839.2406 -11.3417 -11.4368 LDB: ============= START OF LOAD BALANCING ============== 318.217 LDB: ============== END OF LOAD BALANCING =============== 318.217 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 318.219 LDB: ============= START OF LOAD BALANCING ============== 318.511 LDB: Largest compute 4820 load 0.028881 is 24.6% of average load 0.117381 LDB: Average compute 0.001725 is 1.5% of average load 0.117381 LDB: TIME 318.513 LOAD: AVG 0.117381 MAX 0.175592 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.023 MB LDB: TIME 318.514 LOAD: AVG 0.117381 MAX 0.175592 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.023 MB LDB: TIME 318.514 LOAD: AVG 0.117381 MAX 0.175592 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 318.516 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 318.52 Info: useSync: 0 useProxySync: 0 PRESSURE: 108400 -164.239 8.74963 -91.9556 8.74879 -161.412 71.3971 -91.9549 71.3986 -126.202 GPRESSURE: 108400 -162.838 -45.3627 28.5165 -7.36165 -157.694 122.426 -161.108 65.4149 -40.6556 PRESSAVG: 108400 46.5867 30.5334 3.88378 30.5333 1.04485 -3.44672 3.8838 -3.44677 -17.4451 GPRESSAVG: 108400 46.3665 27.6298 7.1771 31.5561 0.185202 -4.57078 3.96438 -1.66893 -16.6191 TIMING: 108400 CPU: 315.344, 0.00296048/step Wall: 315.344, 0.00296048/step, 4.02264 hours remaining, 201.386719 MB of memory in use. ENERGY: 108400 775.5976 1980.0574 1980.4418 123.3075 -205793.6418 17502.4907 0.0000 0.0000 34134.9383 -149296.8087 298.1089 -183431.7469 -149200.9935 298.9373 -150.6175 -120.3956 557419.3604 10.0621 9.9776 PRESSURE: 108600 89.9071 -13.5641 50.0656 -13.5642 -235.71 -3.654 50.065 -3.65392 -65.9503 GPRESSURE: 108600 113.266 9.71682 63.0073 81.4703 -194.081 26.5957 75.9972 30.3617 -37.9303 PRESSAVG: 108600 -12.221 21.4154 14.7158 21.4155 -23.202 42.795 14.7157 42.7949 35.5193 GPRESSAVG: 108600 -10.5694 22.2104 13.2943 20.4818 -22.9873 45.4248 14.0532 41.5115 33.2807 TIMING: 108600 CPU: 315.925, 0.00290407/step Wall: 315.925, 0.00290407/step, 3.94582 hours remaining, 201.457031 MB of memory in use. ENERGY: 108600 737.4936 2071.5231 1955.1076 119.5150 -206306.4971 17547.7141 0.0000 0.0000 34527.5753 -149347.5683 301.5379 -183875.1436 -149259.1759 299.1619 -70.5845 -39.5817 557294.5390 0.0321 -0.0920 PRESSURE: 108800 -26.7979 46.16 81.5025 46.1604 -19.638 69.5035 81.5031 69.5041 -177.542 GPRESSURE: 108800 44.2463 91.5659 63.2988 1.43138 -34.1735 25.3123 13.8857 166.163 -135.763 PRESSAVG: 108800 -17.5161 36.9229 26.2166 36.923 32.351 -25.8015 26.2167 -25.8015 8.53304 GPRESSAVG: 108800 -18.2411 39.1724 25.587 36.2752 31.3843 -27.6835 27.3383 -25.3402 9.54168 TIMING: 108800 CPU: 316.506, 0.00290667/step Wall: 316.506, 0.00290668/step, 3.9492 hours remaining, 201.457031 MB of memory in use. ENERGY: 108800 738.1885 2082.4313 1985.2975 102.0570 -206200.4872 17636.1477 0.0000 0.0000 34210.3064 -149446.0589 298.7671 -183656.3653 -149343.3003 298.6861 -74.6594 -41.8967 557728.3563 7.7893 7.5616 PRESSURE: 109000 -348.294 -116.91 34.0808 -116.91 -22.2745 -56.0167 34.0808 -56.0155 61.5314 GPRESSURE: 109000 -273.486 -89.1158 2.89047 -100.939 -47.9691 -133.188 -11.6836 -8.46917 103.55 PRESSAVG: 109000 0.78845 -17.2143 23.7235 -17.2143 21.7739 11.5501 23.7235 11.5502 16.4698 GPRESSAVG: 109000 -0.00473923 -18.0397 21.3693 -14.4177 23.3183 12.0584 26.4006 10.8425 15.5229 TIMING: 109000 CPU: 317.083, 0.00288049/step Wall: 317.083, 0.00288049/step, 3.91347 hours remaining, 201.457031 MB of memory in use. ENERGY: 109000 762.8615 2059.9740 1987.6604 121.9153 -206157.1569 17597.8529 0.0000 0.0000 34288.7733 -149338.1194 299.4524 -183626.8928 -149237.6795 299.0713 -103.0122 -72.6351 556585.4562 13.0107 12.9455 PRESSURE: 109200 228.573 -46.5 -98.9168 -46.4999 170.522 61.2791 -98.9171 61.2788 44.7839 GPRESSURE: 109200 241.886 -24.5729 -162.784 -19.7392 180.707 26.4301 -51.8747 10.9497 115.199 PRESSAVG: 109200 -42.8686 -2.55785 -37.4295 -2.5578 10.7789 -17.7012 -37.4295 -17.7013 36.1784 GPRESSAVG: 109200 -42.7052 -3.25523 -33.7556 -3.02953 10.0235 -20.5132 -41.3102 -16.5226 37.1313 TIMING: 109200 CPU: 317.66, 0.00288932/step Wall: 317.66, 0.00288932/step, 3.9253 hours remaining, 201.457031 MB of memory in use. ENERGY: 109200 770.3230 2065.6390 1975.5659 120.8300 -206658.3460 18084.9346 0.0000 0.0000 34174.2857 -149466.7678 298.4525 -183641.0535 -149377.4915 298.2806 147.9596 179.2639 557310.2819 1.3629 1.4832 PRESSURE: 109400 -11.5746 -6.64355 -141.666 -6.64429 -201.607 253.001 -141.666 253.002 -75.5804 GPRESSURE: 109400 9.25815 -50.7093 -244.206 67.6941 -155.25 315.416 -78.3883 172.683 -55.0436 PRESSAVG: 109400 65.7837 18.1361 -50.3156 18.136 -34.3266 -25.0038 -50.3157 -25.0037 -6.97747 GPRESSAVG: 109400 65.8438 19.5338 -51.8322 18.7757 -34.5102 -20.9432 -48.6368 -25.7082 -6.55416 TIMING: 109400 CPU: 318.238, 0.00288631/step Wall: 318.238, 0.00288631/step, 3.92105 hours remaining, 201.457031 MB of memory in use. ENERGY: 109400 743.9878 2099.4326 1984.5342 112.6532 -206379.1545 17789.8664 0.0000 0.0000 34212.2846 -149436.3958 298.7844 -183648.6804 -149338.2285 298.5263 -96.2539 -67.0117 558570.0116 8.1599 8.2598 PRESSURE: 109600 -66.1591 209.059 -18.7259 209.058 117.35 -114.147 -18.7282 -114.147 11.7668 GPRESSURE: 109600 -98.5992 240.844 43.8996 185.139 103.451 -165.352 -108.132 -43.2919 142.23 PRESSAVG: 109600 -4.84175 -0.178135 19.5197 -0.178177 14.1395 -11.738 19.5197 -11.738 -15.3742 GPRESSAVG: 109600 -4.96593 -0.217116 21.7248 -1.85259 14.4327 -13.2185 16.8902 -11.2438 -15.043 TIMING: 109600 CPU: 318.821, 0.0029146/step Wall: 318.821, 0.0029146/step, 3.95932 hours remaining, 201.457031 MB of memory in use. ENERGY: 109600 778.7185 2083.1267 1975.0465 110.7142 -206527.3469 17975.0728 0.0000 0.0000 34143.3286 -149461.3397 298.1822 -183604.6683 -149373.7191 298.3055 20.9859 49.0271 558330.3205 -2.0255 -1.8587 PRESSURE: 109800 -170.873 -11.8832 -13.8868 -11.8829 -39.6588 -144.574 -13.8871 -144.573 -278.89 GPRESSURE: 109800 -147.254 17.1352 -37.7259 -80.9305 -31.5805 -134.496 -25.6894 -152.099 -213.782 PRESSAVG: 109800 -4.19251 34.5517 -33.8292 34.5517 62.3933 -31.7541 -33.8293 -31.7542 -43.8027 GPRESSAVG: 109800 -4.94719 34.5935 -34.6302 35.2959 63.297 -32.6609 -34.1607 -33.4077 -43.9935 TIMING: 109800 CPU: 319.405, 0.00292027/step Wall: 319.405, 0.00292027/step, 3.96686 hours remaining, 201.457031 MB of memory in use. ENERGY: 109800 766.8827 2090.3450 1968.7648 111.3815 -206194.8458 17620.5929 0.0000 0.0000 34180.8910 -149455.9879 298.5102 -183636.8789 -149354.7987 298.6427 -163.1406 -130.8722 558690.3566 4.7994 4.7854 PRESSURE: 110000 -119.729 -57.8108 46.7403 -57.8116 -30.4043 -29.8456 46.7404 -29.8467 155.632 GPRESSURE: 110000 -56.6686 -10.3321 42.6798 -32.0042 17.3588 -81.3797 48.4427 -27.3962 150.122 PRESSAVG: 110000 -25.8251 8.66377 -33.0087 8.66369 107.779 -12.3536 -33.0087 -12.3536 -45.0544 GPRESSAVG: 110000 -25.7781 8.76611 -34.6217 8.74942 107.758 -11.7266 -31.8657 -10.5575 -45.3198 TIMING: 110000 CPU: 319.987, 0.00290927/step Wall: 319.987, 0.00290927/step, 3.95176 hours remaining, 201.457031 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: 110000 737.1105 2079.8771 1981.3810 113.1207 -206390.8578 17922.6125 0.0000 0.0000 34177.2664 -149379.4896 298.4786 -183556.7560 -149279.9837 298.8122 1.8332 36.9375 557659.9456 12.2999 12.2201 PRESSURE: 110200 -186.58 23.271 -25.0762 23.269 -112.308 52.1448 -25.0769 52.145 114.993 GPRESSURE: 110200 -242.858 23.1178 -35.9611 12.4961 -41.8208 68.0218 -31.7659 -19.1382 198.917 PRESSAVG: 110200 -38.1576 -9.9147 90.1915 -9.91472 10.2713 16.7582 90.1915 16.7581 45.1274 GPRESSAVG: 110200 -38.0542 -9.87564 91.2933 -9.62608 9.38511 16.5672 89.817 14.5897 46.3994 TIMING: 110200 CPU: 320.566, 0.00289654/step Wall: 320.566, 0.00289654/step, 3.93431 hours remaining, 201.457031 MB of memory in use. ENERGY: 110200 763.8683 2082.3205 1947.4880 113.2210 -206045.3749 17785.9208 0.0000 0.0000 34115.3021 -149237.2543 297.9374 -183352.5564 -149145.4162 299.0731 -61.2983 -28.5871 557491.8316 5.7470 5.9101 PRESSURE: 110400 -102.741 -25.9698 -109.653 -25.9687 -181.26 95.7551 -109.653 95.757 107.893 GPRESSURE: 110400 -109.582 -44.9768 -127.09 -1.72411 -121.415 117.101 -115.977 65.113 156.83 PRESSAVG: 110400 28.7153 -10.3449 -26.0199 -10.3449 -62.2883 20.9772 -26.0199 20.9773 56.3746 GPRESSAVG: 110400 27.7594 -11.8167 -25.7472 -11.169 -59.8446 21.6033 -24.813 20.6434 54.4949 TIMING: 110400 CPU: 321.147, 0.00290803/step Wall: 321.147, 0.00290803/step, 3.94975 hours remaining, 201.457031 MB of memory in use. ENERGY: 110400 747.2591 2078.8050 1951.0994 109.3834 -205796.5984 17642.6739 0.0000 0.0000 34160.5895 -149106.7882 298.3329 -183267.3777 -149004.5241 299.4302 -58.7027 -24.7224 557831.4389 7.6005 7.4699 PRESSURE: 110600 -158.304 -37.4234 160.088 -37.4238 -222.443 -60.021 160.088 -60.0213 194.288 GPRESSURE: 110600 -177.296 -62.5222 125.768 -16.653 -90.7552 -106.775 125.69 -48.2209 182.78 PRESSAVG: 110600 19.3465 -74.2296 4.02801 -74.2297 -33.3332 4.11942 4.02796 4.11953 -16.6742 GPRESSAVG: 110600 19.1659 -72.1449 2.78673 -75.8729 -33.767 5.81379 3.28238 4.8662 -15.837 TIMING: 110600 CPU: 321.725, 0.00288691/step Wall: 321.725, 0.00288691/step, 3.9209 hours remaining, 201.457031 MB of memory in use. ENERGY: 110600 736.3330 2093.4913 1972.7661 113.5987 -206179.5645 17911.0507 0.0000 0.0000 34284.7291 -149067.5954 299.4171 -183352.3245 -148974.7304 299.5099 -62.1528 -28.4237 558289.9816 -10.2203 -10.1460 PRESSURE: 110800 -106.041 109.453 155.197 109.452 -238.253 112.009 155.196 112.01 -278.362 GPRESSURE: 110800 -83.2074 -0.809653 129.613 132.507 -159.195 156.607 169.284 58.826 -282.231 PRESSAVG: 110800 37.8705 -30.701 53.118 -30.701 45.2605 26.4729 53.1181 26.4729 -34.8174 GPRESSAVG: 110800 38.7503 -32.9368 53.9829 -28.8335 44.5106 23.8833 52.4956 27.1242 -35.0682 TIMING: 110800 CPU: 322.304, 0.0028977/step Wall: 322.304, 0.0028977/step, 3.93539 hours remaining, 201.457031 MB of memory in use. ENERGY: 110800 792.2453 2082.8877 1963.6469 112.6138 -205997.5599 17680.6624 0.0000 0.0000 34382.6045 -148982.8992 300.2718 -183365.5037 -148894.9647 299.7825 -207.5522 -174.8776 558021.1763 16.1046 16.0642 PRESSURE: 111000 -25.8748 51.3574 71.3718 51.357 -155.7 -138.951 71.3717 -138.95 117.353 GPRESSURE: 111000 -23.7668 27.3745 42.821 -21.0035 -97.1751 -128.874 72.7243 -22.291 150.829 PRESSAVG: 111000 43.4928 -37.3809 5.64798 -37.3809 -51.3536 -6.40939 5.64794 -6.40943 21.3839 GPRESSAVG: 111000 43.5697 -36.3451 3.94464 -36.8876 -51.4462 -4.8877 7.49525 -7.37956 21.2908 TIMING: 111000 CPU: 322.886, 0.00290837/step Wall: 322.886, 0.00290837/step, 3.94973 hours remaining, 201.457031 MB of memory in use. ENERGY: 111000 750.2120 2054.4184 1959.6407 116.3970 -205784.8789 17677.1644 0.0000 0.0000 34192.3213 -149034.7251 298.6100 -183227.0464 -148928.6786 299.3354 -21.4075 9.9624 556989.1482 4.5077 4.4714 PRESSURE: 111200 174.385 -107.789 -60.1785 -107.789 -51.3604 227.312 -60.1781 227.311 -141.187 GPRESSURE: 111200 169.314 -70.5368 -59.7319 -75.9275 20.0535 177.502 -24.0181 212.053 -126.466 PRESSAVG: 111200 -55.0898 -37.606 6.69898 -37.606 8.10665 58.1467 6.69902 58.1467 51.0891 GPRESSAVG: 111200 -55.9513 -36.4285 5.81118 -39.4843 9.22936 54.3694 6.83234 60.3368 51.1052 TIMING: 111200 CPU: 323.47, 0.00292141/step Wall: 323.47, 0.00292141/step, 3.96727 hours remaining, 201.457031 MB of memory in use. ENERGY: 111200 738.1757 2124.3946 1963.1261 102.1496 -206318.5723 17796.2873 0.0000 0.0000 34439.8465 -149154.5926 300.7717 -183594.4391 -149051.7267 299.7268 -6.0541 20.9672 556533.5488 1.3687 1.4611 PRESSURE: 111400 -89.1653 7.23514 -72.4811 7.23283 92.0646 141.918 -72.4822 141.917 -2.51341 GPRESSURE: 111400 -32.2295 -56.2346 -148.257 39.0694 75.6132 110.547 -126.808 80.4044 45.4707 PRESSAVG: 111400 73.8455 14.9271 -41.3733 14.9271 -9.64956 44.5219 -41.3734 44.5219 -56.0199 GPRESSAVG: 111400 74.5713 13.4065 -39.9905 17.5547 -11.353 45.5951 -42.4184 44.335 -54.7546 TIMING: 111400 CPU: 324.052, 0.00290937/step Wall: 324.052, 0.00290937/step, 3.95076 hours remaining, 201.457031 MB of memory in use. ENERGY: 111400 685.8642 2070.8801 1956.5213 99.3006 -205986.9941 17663.8355 0.0000 0.0000 34320.3210 -149190.2714 299.7279 -183510.5924 -149088.6865 299.2549 0.1286 29.6181 557386.5875 2.7253 2.8212 PRESSURE: 111600 -213.834 -24.7884 -129.3 -24.7881 27.9789 2.14983 -129.3 2.14939 113.067 GPRESSURE: 111600 -179.776 -67.8236 -127.589 1.18594 30.7152 -62.4664 -227.731 22.3553 181.525 PRESSAVG: 111600 8.5845 36.2011 -28.842 36.2011 1.09654 16.8524 -28.8421 16.8525 -22.1667 GPRESSAVG: 111600 9.19044 35.9557 -29.0561 33.9094 1.74949 20.2293 -28.7376 12.5932 -22.6879 TIMING: 111600 CPU: 324.637, 0.00292631/step Wall: 324.637, 0.00292631/step, 3.9736 hours remaining, 201.457031 MB of memory in use. ENERGY: 111600 776.4581 2049.8184 1947.1027 113.0905 -206133.1146 17809.5473 0.0000 0.0000 34406.8676 -149030.2299 300.4837 -183437.0976 -148944.2958 299.9827 -24.2627 10.8214 556040.0496 -4.1619 -3.9160 PRESSURE: 111800 -22.2014 -52.8556 29.5137 -52.8552 -44.695 81.5677 29.5138 81.5702 138.882 GPRESSURE: 111800 -14.9671 10.6084 25.1932 -19.1061 29.2779 133.22 91.4062 11.991 154.377 PRESSAVG: 111800 28.3941 -12.5883 -31.4779 -12.5883 -5.04265 34.0517 -31.4778 34.0518 -55.2439 GPRESSAVG: 111800 28.6072 -11.8845 -29.5939 -10.9468 -4.01223 31.8617 -31.744 34.6062 -56.3657 TIMING: 111800 CPU: 325.238, 0.00300098/step Wall: 325.238, 0.00300098/step, 4.07483 hours remaining, 201.457031 MB of memory in use. ENERGY: 111800 735.4985 2129.1993 1959.0806 121.7609 -206251.0799 18015.4912 0.0000 0.0000 34211.9510 -149078.0985 298.7815 -183290.0495 -148982.3240 299.4805 23.9953 56.2292 557410.4390 -10.6308 -10.5902 PRESSURE: 112000 6.10529 -51.9725 48.9442 -51.972 -40.6094 -124.219 48.9453 -124.218 256.388 GPRESSURE: 112000 86.4888 -54.3442 118.462 -9.91616 21.6375 -162.729 34.0545 -212.376 203.886 PRESSAVG: 112000 1.48794 25.8511 -61.7075 25.8511 -29.0706 7.00663 -61.7075 7.00668 18.4805 GPRESSAVG: 112000 -0.286732 25.8601 -60.7608 25.0982 -28.9063 8.13983 -61.2309 7.25422 20.1933 TIMING: 112000 CPU: 325.822, 0.00292418/step Wall: 325.822, 0.00292418/step, 3.97038 hours remaining, 201.457031 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: 112000 718.4948 2106.7276 1976.5226 101.2902 -205944.0933 17773.3751 0.0000 0.0000 34153.4896 -149114.1934 298.2709 -183267.6831 -149024.2937 299.9002 73.9613 104.0040 558672.8476 -3.0341 -2.9999 PRESSURE: 112200 32.8062 -33.3672 144.961 -33.3677 4.32062 -33.3656 144.961 -33.3669 -163.668 GPRESSURE: 112200 40.7418 -63.2271 85.9544 17.0421 75.7321 -30.9165 231.677 -31.5438 -143.21 PRESSAVG: 112200 38.0447 26.1637 9.4499 26.1637 -51.6063 7.4575 9.4498 7.45757 34.167 GPRESSAVG: 112200 39.9705 26.7717 7.42211 26.4643 -52.0721 5.7552 8.43399 8.05872 32.5477 TIMING: 112200 CPU: 326.401, 0.00289488/step Wall: 326.401, 0.00289488/step, 3.93044 hours remaining, 201.457031 MB of memory in use. ENERGY: 112200 798.9247 2062.8893 1993.4402 118.0083 -206137.0003 17857.2240 0.0000 0.0000 34227.0073 -149079.5064 298.9130 -183306.5138 -148986.2152 299.4307 -42.1804 -8.9120 557399.2865 6.8685 6.8154 LDB: ============= START OF LOAD BALANCING ============== 329.867 LDB: ============== END OF LOAD BALANCING =============== 329.868 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 329.869 LDB: ============= START OF LOAD BALANCING ============== 330.163 LDB: Largest compute 4820 load 0.030993 is 26.4% of average load 0.117477 LDB: Average compute 0.001733 is 1.5% of average load 0.117477 LDB: TIME 330.166 LOAD: AVG 0.117477 MAX 0.17585 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.125 MB LDB: TIME 330.166 LOAD: AVG 0.117477 MAX 0.17585 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.223 MB LDB: TIME 330.166 LOAD: AVG 0.117477 MAX 0.17585 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 330.168 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 330.172 PRESSURE: 112400 58.5314 55.4797 16.4897 55.4784 -200.498 -58.9287 16.4888 -58.9288 0.100032 GPRESSURE: 112400 110.46 95.1119 72.188 142.54 -179.962 -119.971 -49.831 -75.3914 35.1429 PRESSAVG: 112400 15.8134 25.7507 -7.72376 25.7506 -29.1328 6.18955 -7.72379 6.18965 16.9576 GPRESSAVG: 112400 16.0692 25.1616 -6.94269 24.7096 -30.0224 7.06154 -6.38511 5.99403 17.4289 TIMING: 112400 CPU: 326.997, 0.00297686/step Wall: 326.997, 0.00297686/step, 4.04158 hours remaining, 200.875000 MB of memory in use. ENERGY: 112400 750.6889 2127.7241 1948.7060 112.1778 -205956.4581 17779.5023 0.0000 0.0000 34183.9042 -149053.7548 298.5365 -183237.6590 -148963.2397 299.3311 -47.2889 -11.4532 558278.0061 1.2127 1.1585 PRESSURE: 112600 155.902 91.2841 54.5993 91.2843 51.7502 -97.7731 54.5998 -97.7718 -2.42301 GPRESSURE: 112600 163.36 104.818 10.6499 62.9363 57.2225 -54.6841 -1.46588 -144.075 73.3044 PRESSAVG: 112600 -55.8646 41.9543 -24.8716 41.9542 -90.5439 -66.3146 -24.8715 -66.3147 132.543 GPRESSAVG: 112600 -56.741 40.9731 -26.5596 41.2106 -90.5761 -65.1307 -25.1595 -66.6669 132.84 TIMING: 112600 CPU: 327.577, 0.00290238/step Wall: 327.577, 0.00290238/step, 3.9403 hours remaining, 201.078125 MB of memory in use. ENERGY: 112600 725.0575 2099.8385 1960.1230 124.6647 -206414.9684 17993.0720 0.0000 0.0000 34247.8449 -149264.3679 299.0949 -183512.2128 -149167.9144 298.5085 68.4096 97.9622 557816.8356 -4.6217 -4.8258 PRESSURE: 112800 -146.218 16.721 -129.26 16.7197 -192.446 20.2239 -129.26 20.2228 -66.3943 GPRESSURE: 112800 -121.768 47.3452 -51.133 -5.58015 -221.498 49.8573 -177.55 59.031 20.9999 PRESSAVG: 112800 -55.6776 8.22715 -36.7359 8.22715 -3.36509 -50.3962 -36.7359 -50.3963 61.4673 GPRESSAVG: 112800 -55.6606 10.2851 -36.1087 9.98306 -2.9667 -52.0528 -36.2959 -49.5152 60.8758 TIMING: 112800 CPU: 328.155, 0.00288789/step Wall: 328.155, 0.00288789/step, 3.92047 hours remaining, 201.078125 MB of memory in use. ENERGY: 112800 778.0626 2096.9872 1937.7432 117.3425 -206217.9230 17698.7943 0.0000 0.0000 34254.0146 -149334.9784 299.1488 -183588.9930 -149239.4806 299.0412 -135.0194 -107.4220 557951.7149 0.8082 0.7495 PRESSURE: 113000 -100.475 -119.847 -52.9033 -119.847 -138.045 -167.038 -52.902 -167.038 152.765 GPRESSURE: 113000 -38.5923 -63.3214 -51.0232 -123.835 -76.0047 -176.083 -86.4839 -173.187 131.559 PRESSAVG: 113000 -10.6681 17.9346 -29.4615 17.9346 -29.9927 -12.4095 -29.4616 -12.4095 46.2741 GPRESSAVG: 113000 -10.9637 16.4019 -27.5536 17.578 -31.2382 -13.568 -31.0392 -9.76611 48.3456 TIMING: 113000 CPU: 328.735, 0.00290198/step Wall: 328.735, 0.00290198/step, 3.93943 hours remaining, 201.078125 MB of memory in use. ENERGY: 113000 738.1165 2097.6858 1932.2640 102.4153 -206161.4463 17767.7948 0.0000 0.0000 34079.0374 -149444.1327 297.6207 -183523.1700 -149343.8398 298.4970 -28.5851 5.6540 557395.5736 1.8711 2.0479 PRESSURE: 113200 139.214 152.845 13.5612 152.845 -14.8974 -113.28 13.5622 -113.28 178.701 GPRESSURE: 113200 82.4658 174.749 7.80842 39.907 33.3737 -122.924 -13.3949 -88.471 279.065 PRESSAVG: 113200 -46.9528 -23.8034 -5.96021 -23.8033 -37.8148 -9.21844 -5.96021 -9.21835 124.615 GPRESSAVG: 113200 -46.701 -24.0487 -5.20299 -25.2261 -37.4288 -9.83471 -6.50007 -9.89646 124.005 TIMING: 113200 CPU: 329.312, 0.00288555/step Wall: 329.312, 0.00288555/step, 3.91697 hours remaining, 201.078125 MB of memory in use. ENERGY: 113200 754.9128 2121.2372 1960.0788 126.3025 -206642.2079 18176.1104 0.0000 0.0000 34140.5540 -149363.0121 298.1579 -183503.5661 -149267.3518 298.4726 101.0059 131.6347 557055.1094 13.2823 13.2918 PRESSURE: 113400 -398.796 263.175 -41.5793 263.175 38.2998 82.2972 -41.5797 82.2955 -99.8402 GPRESSURE: 113400 -371.06 315.357 -9.30817 268.528 104.317 93.4811 56.6564 53.4736 -94.3063 PRESSAVG: 113400 -40.9042 110.185 -53.7451 110.185 12.4334 7.50778 -53.7452 7.50772 17.1356 GPRESSAVG: 113400 -40.1874 112.099 -54.6477 109.406 13.2502 9.88852 -53.6517 6.51018 16.0196 TIMING: 113400 CPU: 329.888, 0.00287918/step Wall: 329.888, 0.00287918/step, 3.90816 hours remaining, 201.078125 MB of memory in use. ENERGY: 113400 763.8067 2170.7544 1967.9345 121.2497 -206159.2136 17691.9921 0.0000 0.0000 34422.4943 -149020.9819 300.6202 -183443.4762 -148921.0312 299.5288 -153.4454 -120.3498 559145.3333 -3.7784 -3.6392 PRESSURE: 113600 -294.523 83.7071 -4.52262 83.7064 -137.011 9.03541 -4.52273 9.0371 137.514 GPRESSURE: 113600 -265.14 54.8368 40.7493 114.027 -82.8387 -5.52797 -6.68422 18.0664 147.366 PRESSAVG: 113600 14.7493 28.606 -0.477204 28.606 -22.5797 -10.0704 -0.477123 -10.0703 77.1751 GPRESSAVG: 113600 14.2879 27.0946 -0.905757 31.8251 -23.1772 -11.4715 1.53578 -10.29 78.4617 TIMING: 113600 CPU: 330.468, 0.00289709/step Wall: 330.468, 0.00289709/step, 3.93232 hours remaining, 201.078125 MB of memory in use. ENERGY: 113600 776.4257 2149.9652 1954.1258 113.0801 -205998.8157 17744.4512 0.0000 0.0000 34216.3800 -149044.3879 298.8202 -183260.7679 -148941.1376 300.0368 -98.0067 -66.8709 558081.2039 23.1149 23.1908 PRESSURE: 113800 -144.097 67.9252 -27.6381 67.9256 -27.4522 -5.23815 -27.6379 -5.23791 -150.529 GPRESSURE: 113800 -151.609 47.1422 -56.6396 1.07961 45.6187 -22.2341 86.3736 -20.3642 -120.566 PRESSAVG: 113800 1.56411 -8.20874 29.4002 -8.20877 -13.3477 -47.7703 29.4002 -47.7703 28.0569 GPRESSAVG: 113800 1.41995 -5.76642 26.4122 -10.4239 -12.3601 -49.7728 29.7096 -46.1433 27.4636 TIMING: 113800 CPU: 331.05, 0.0029136/step Wall: 331.05, 0.0029136/step, 3.95457 hours remaining, 201.078125 MB of memory in use. ENERGY: 113800 745.9583 2039.1671 1976.2316 108.5470 -206022.3084 17710.0181 0.0000 0.0000 34290.8685 -149151.5178 299.4707 -183442.3863 -149053.2249 300.1422 -107.3594 -75.5189 557895.4575 5.4245 5.5078 PRESSURE: 114000 -167.616 16.9843 -30.057 16.9842 -108.524 -155.072 -30.0558 -155.073 -160.464 GPRESSURE: 114000 -128.198 42.6012 -27.9994 9.74434 -90.579 -215.466 -11.368 -98.104 -135.13 PRESSAVG: 114000 5.89291 -18.3781 42.0956 -18.378 29.7965 -59.2779 42.0955 -59.2777 -32.7307 GPRESSAVG: 114000 5.72474 -20.8007 44.4208 -17.7483 30.2936 -57.6686 40.2882 -60.7284 -33.6536 TIMING: 114000 CPU: 331.631, 0.00290183/step Wall: 331.631, 0.00290183/step, 3.93843 hours remaining, 201.078125 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: 114000 732.6472 2144.0089 1965.2592 119.6836 -205946.3424 17750.1552 0.0000 0.0000 34214.9739 -149019.6143 298.8079 -183234.5881 -148930.3235 299.0387 -145.5347 -117.9689 560269.6807 0.9862 0.7882 PRESSURE: 114200 -91.2552 113.914 2.96983 113.913 -125.063 23.6283 2.96917 23.6283 -101.302 GPRESSURE: 114200 -50.4337 106.552 -33.0463 103.718 -112.413 96.5765 -3.51536 -114.939 -53.0482 PRESSAVG: 114200 40.5694 10.9043 -0.988998 10.9044 -65.4114 -35.0049 -0.989049 -35.0049 -10.5722 GPRESSAVG: 114200 41.6863 9.94936 -0.842213 11.5355 -67.701 -32.7177 -1.96632 -34.7429 -9.77899 TIMING: 114200 CPU: 332.212, 0.00290667/step Wall: 332.212, 0.00290667/step, 3.94484 hours remaining, 201.078125 MB of memory in use. ENERGY: 114200 716.2293 2138.8881 1981.5797 105.6940 -206145.7610 17639.1876 0.0000 0.0000 34511.9801 -149052.2023 301.4017 -183564.1824 -148956.9302 299.8195 -105.8735 -71.9649 558481.3090 -11.8047 -11.9312 PRESSURE: 114400 -297.671 -56.2203 39.2573 -56.2206 -60.6991 138.468 39.2573 138.468 204.67 GPRESSURE: 114400 -221.065 -99.7985 23.7415 -72.9866 -12.8238 60.6526 81.8367 161.816 172.35 PRESSAVG: 114400 -47.5858 43.5853 -20.905 43.5852 64.5049 4.07338 -20.905 4.07345 -14.9224 GPRESSAVG: 114400 -48.1823 43.279 -23.2994 41.1589 66.3896 1.98469 -18.2656 4.55161 -15.7942 TIMING: 114400 CPU: 332.796, 0.00292182/step Wall: 332.796, 0.00292182/step, 3.96523 hours remaining, 201.078125 MB of memory in use. ENERGY: 114400 758.3776 2106.0852 1988.1845 114.1042 -205942.6592 17655.7213 0.0000 0.0000 34352.4832 -148967.7032 300.0088 -183320.1864 -148875.7114 300.2212 -51.2335 -20.5129 558116.8689 0.6656 0.8044 PRESSURE: 114600 31.6676 17.9692 -153.431 17.9696 -13.4674 35.1447 -153.431 35.1482 -27.5255 GPRESSURE: 114600 92.5867 49.8776 -135.501 -36.6809 10.5578 42.469 -96.174 42.258 -27.256 PRESSAVG: 114600 -6.10253 -8.43342 -58.2784 -8.43337 15.1941 -25.5518 -58.2785 -25.5518 17.7033 GPRESSAVG: 114600 -5.96274 -7.64107 -54.4216 -6.64279 15.4596 -27.3982 -59.9 -25.6492 18.0352 TIMING: 114600 CPU: 333.381, 0.00292374/step Wall: 333.381, 0.00292374/step, 3.96767 hours remaining, 201.078125 MB of memory in use. ENERGY: 114600 739.3412 2119.4670 1971.4414 124.0016 -206192.4063 17863.8904 0.0000 0.0000 34390.2318 -148984.0329 300.3384 -183374.2647 -148886.3027 299.6774 -3.1084 25.2962 559115.4121 8.9316 9.1774 PRESSURE: 114800 -31.5046 69.7541 -77.5999 69.7555 82.8961 201.609 -77.5994 201.609 -538.405 GPRESSURE: 114800 -45.0515 -1.77428 -93.202 114.231 127.977 239.8 -60.2914 125.935 -483.759 PRESSAVG: 114800 2.38316 58.5905 5.9659 58.5905 26.1034 4.31122 5.96589 4.3111 -6.71677 GPRESSAVG: 114800 1.36396 59.1034 6.16295 57.0274 26.0032 4.96076 5.68129 5.77156 -5.73008 TIMING: 114800 CPU: 333.963, 0.00290777/step Wall: 333.963, 0.00290777/step, 3.94585 hours remaining, 201.078125 MB of memory in use. ENERGY: 114800 762.3867 2132.8084 1975.1273 103.8794 -205872.8564 17628.8858 0.0000 0.0000 34225.1885 -149044.5803 298.8971 -183269.7688 -148942.7766 299.9660 -162.3379 -133.6110 558900.7489 7.2566 7.2123 PRESSURE: 115000 15.3409 17.0461 -95.3627 17.0461 -161.794 5.45281 -95.363 5.45283 178.125 GPRESSURE: 115000 35.9574 94.1488 -121.437 -19.0543 -120.526 -19.5637 -169.756 2.77107 203.285 PRESSAVG: 115000 37.3193 35.7411 -17.9986 35.7411 25.849 -25.9745 -17.9986 -25.9745 -62.9201 GPRESSAVG: 115000 38.4495 35.7665 -19.0944 35.3824 26.8966 -25.3001 -18.1798 -27.6492 -64.4318 TIMING: 115000 CPU: 334.546, 0.00291397/step Wall: 334.546, 0.00291397/step, 3.95409 hours remaining, 201.078125 MB of memory in use. ENERGY: 115000 758.3846 2111.0590 1942.6080 126.7213 -206152.7678 17907.9949 0.0000 0.0000 34439.1590 -148866.8410 300.7657 -183306.0000 -148770.2841 299.2851 10.5572 39.5720 558671.3176 0.0827 0.3048 PRESSURE: 115200 146.992 97.7846 80.406 97.7854 -38.7147 -105.751 80.4078 -105.751 159.592 GPRESSURE: 115200 183.455 113.594 125.528 89.4348 -12.8172 -160.233 111.872 -48.0185 195.085 PRESSAVG: 115200 -8.75448 10.3312 -57.0069 10.3311 -42.5467 -47.2259 -57.0069 -47.2259 68.9458 GPRESSAVG: 115200 -10.1405 8.97263 -55.3967 12.8442 -41.9513 -47.3774 -55.9715 -48.595 69.9208 TIMING: 115200 CPU: 335.131, 0.0029269/step Wall: 335.131, 0.0029269/step, 3.97148 hours remaining, 201.078125 MB of memory in use. ENERGY: 115200 735.0404 2091.3733 1947.9054 102.6017 -205773.4119 17867.1109 0.0000 0.0000 34094.3267 -148935.0534 297.7542 -183029.3801 -148837.7772 300.3806 89.2896 121.9079 557644.6112 5.8816 5.9430 PRESSURE: 115400 249.519 -127.822 -57.3293 -127.823 189.608 -43.5068 -57.3288 -43.5065 57.8633 GPRESSURE: 115400 274.62 -38.7992 -60.9757 -86.8103 221.922 -60.3565 -69.6295 -51.4686 85.1042 PRESSAVG: 115400 -71.7682 -3.73707 -17.2327 -3.73704 -19.001 -33.7929 -17.2326 -33.793 92.2918 GPRESSAVG: 115400 -70.1808 -2.07186 -19.0525 -4.54866 -19.7232 -32.339 -16.9427 -33.6204 91.7941 TIMING: 115400 CPU: 335.713, 0.00290978/step Wall: 335.713, 0.00290978/step, 3.94809 hours remaining, 201.078125 MB of memory in use. ENERGY: 115400 761.8421 2123.7458 1949.8121 106.6919 -206482.2434 18052.7206 0.0000 0.0000 34522.1922 -148965.2387 301.4909 -183487.4309 -148863.0364 299.5161 165.6633 193.8819 556704.9673 0.5076 0.6300 PRESSURE: 115600 82.2752 112.644 -43.0165 112.644 38.8093 -54.1769 -43.0182 -54.1777 110.123 GPRESSURE: 115600 115.883 133.368 -58.188 47.6074 80.0163 -201.659 -64.1803 4.34611 133.341 PRESSAVG: 115600 -28.2656 -7.02777 11.2955 -7.02778 -64.2468 13.0106 11.2954 13.0106 65.4605 GPRESSAVG: 115600 -29.207 -7.06252 12.5572 -6.69027 -63.6402 11.5709 11.5483 13.6142 65.7353 TIMING: 115600 CPU: 336.294, 0.00290791/step Wall: 336.294, 0.00290791/step, 3.94539 hours remaining, 201.078125 MB of memory in use. ENERGY: 115600 761.3195 2127.7618 1987.0728 115.7036 -206075.3575 17783.2458 0.0000 0.0000 34395.8616 -148904.3925 300.3876 -183300.2541 -148803.6436 299.9966 77.0692 109.7470 556841.9661 -9.0173 -9.0373 PRESSURE: 115800 71.0241 169.041 -138.287 169.04 152.671 73.1155 -138.287 73.1167 67.364 GPRESSURE: 115800 61.5042 175.056 -81.5986 78.7851 196.928 48.3653 -188.403 106.389 141.931 PRESSAVG: 115800 -15.3083 14.4567 12.437 14.4566 -3.07738 5.35209 12.4369 5.35196 2.20588 GPRESSAVG: 115800 -14.0518 12.5694 12.7889 14.3666 -4.81253 3.70305 11.7982 6.1955 3.16763 TIMING: 115800 CPU: 336.874, 0.00289796/step Wall: 336.874, 0.00289796/step, 3.93172 hours remaining, 201.078125 MB of memory in use. ENERGY: 115800 745.9422 2099.0144 1957.5768 121.2666 -206317.2043 18029.0270 0.0000 0.0000 34483.9719 -148880.4054 301.1571 -183364.3773 -148781.2239 300.2104 97.0196 133.4543 556771.8548 -5.3933 -5.2322 PRESSURE: 116000 -285.601 20.2929 -41.0373 20.293 -28.5442 111.296 -41.0377 111.297 80.7304 GPRESSURE: 116000 -235.577 151.109 -94.6496 -29.3598 38.7479 114.389 -36.7709 196.322 48.7699 PRESSAVG: 116000 59.2742 30.4161 0.810669 30.4162 6.62406 -27.8745 0.810621 -27.8746 -91.6398 GPRESSAVG: 116000 56.9985 32.7986 0.443032 27.5195 8.88674 -27.1624 0.390858 -28.969 -91.4607 TIMING: 116000 CPU: 337.457, 0.00291482/step Wall: 337.457, 0.00291482/step, 3.95443 hours remaining, 201.078125 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: 116000 775.9609 2107.0337 1993.0587 104.2802 -205779.6179 17578.2994 0.0000 0.0000 34411.7213 -148809.2636 300.5261 -183220.9849 -148713.0810 300.1482 -77.8050 -49.3531 557328.3540 -8.5805 -8.5252 PRESSURE: 116200 -407.895 16.6044 210.573 16.6059 -254.822 -159.744 210.572 -159.745 -265.007 GPRESSURE: 116200 -322.436 103.285 219.035 -113.601 -199.747 -145.894 185.528 -109.64 -321.026 PRESSAVG: 116200 5.48997 12.1868 5.72315 12.1868 -30.1842 -8.10888 5.72309 -8.10892 17.6137 GPRESSAVG: 116200 7.19233 10.8567 4.23689 13.7016 -31.5707 -7.54433 6.59712 -7.08457 16.9097 TIMING: 116200 CPU: 338.042, 0.00292345/step Wall: 338.042, 0.00292345/step, 3.96598 hours remaining, 201.078125 MB of memory in use. ENERGY: 116200 768.0127 2149.9583 1961.8744 115.8689 -205803.0481 17456.2793 0.0000 0.0000 34735.6508 -148615.4038 303.3551 -183351.0546 -148516.3353 301.1517 -309.2414 -281.0695 556524.6209 -2.3602 -2.4896 LDB: ============= START OF LOAD BALANCING ============== 341.509 LDB: ============== END OF LOAD BALANCING =============== 341.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 341.511 LDB: ============= START OF LOAD BALANCING ============== 341.801 LDB: Largest compute 4820 load 0.031308 is 26.7% of average load 0.117447 LDB: Average compute 0.001734 is 1.5% of average load 0.117447 LDB: TIME 341.803 LOAD: AVG 0.117447 MAX 0.177422 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.707 MB LDB: TIME 341.804 LOAD: AVG 0.117447 MAX 0.177422 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.707 MB LDB: TIME 341.804 LOAD: AVG 0.117447 MAX 0.177422 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 341.806 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 341.81 PRESSURE: 116400 22.7865 -105.761 116.708 -105.76 -401.921 -111.7 116.708 -111.701 -118.885 GPRESSURE: 116400 74.5876 -67.0047 66.5463 -107.353 -358.027 -61.9484 153.249 -128.315 -129.511 PRESSAVG: 116400 73.8824 11.4601 15.8383 11.4599 -49.6677 -50.5872 15.8384 -50.5872 -62.1037 GPRESSAVG: 116400 73.6895 13.6393 14.1161 9.9286 -49.6401 -48.0926 17.5803 -54.0539 -61.7866 TIMING: 116400 CPU: 338.635, 0.00296505/step Wall: 338.635, 0.00296505/step, 4.02225 hours remaining, 200.789062 MB of memory in use. ENERGY: 116400 731.3358 2144.1600 1975.3310 113.6097 -205711.4092 17419.7197 0.0000 0.0000 34491.5968 -148835.6563 301.2237 -183327.2531 -148739.0713 301.1029 -166.0065 -137.6504 558605.8995 -12.6296 -12.5790 PRESSURE: 116600 -198.199 -69.4529 152.628 -69.4519 182.886 -132.536 152.628 -132.536 3.19139 GPRESSURE: 116600 -171.812 -142.863 119.24 3.96218 217.021 -94.6399 183.921 -207.548 23.4852 PRESSAVG: 116600 -0.00673221 17.0002 -2.03332 17.0002 6.40201 -75.7209 -2.03338 -75.7209 -8.00236 GPRESSAVG: 116600 0.705119 14.2019 -1.32454 19.8737 5.85601 -78.7412 -3.39582 -70.8909 -8.29039 TIMING: 116600 CPU: 339.213, 0.00289138/step Wall: 339.213, 0.00289138/step, 3.92216 hours remaining, 200.933594 MB of memory in use. ENERGY: 116600 739.8077 2073.3820 1956.3287 110.8674 -206029.1114 17900.5250 0.0000 0.0000 34196.3087 -149051.8918 298.6449 -183248.2006 -148956.4435 300.6668 -4.0406 22.8981 557809.6186 -0.5357 -0.5764 PRESSURE: 116800 -126.627 -48.9635 20.16 -48.9637 -76.2087 -11.2371 20.1605 -11.2356 -24.7694 GPRESSURE: 116800 -60.7448 -145.475 34.3096 8.37062 -64.988 37.3509 -10.0887 -27.4488 -9.39505 PRESSAVG: 116800 -36.1676 4.85222 41.6562 4.85221 23.1229 39.7628 41.6562 39.7627 -50.5613 GPRESSAVG: 116800 -37.371 5.04188 44.1312 3.75377 23.3356 41.8646 41.2982 37.2842 -49.591 TIMING: 116800 CPU: 339.792, 0.00289396/step Wall: 339.792, 0.00289396/step, 3.92549 hours remaining, 200.933594 MB of memory in use. ENERGY: 116800 767.0241 2124.6362 1952.4400 137.7295 -206130.3442 17772.3104 0.0000 0.0000 34210.4611 -149165.7430 298.7685 -183376.2041 -149070.5068 299.4315 -75.8684 -45.0426 558338.2753 -21.2020 -21.2088 PRESSURE: 117000 4.2628 77.7868 14.97 77.7863 99.072 191.341 14.9697 191.342 121.557 GPRESSURE: 117000 50.5081 55.7579 -93.0944 109.289 187.59 189.665 81.8919 207.659 83.035 PRESSAVG: 117000 -96.5837 24.2996 18.148 24.2997 98.1933 8.8978 18.148 8.89774 9.74751 GPRESSAVG: 117000 -94.6851 25.3237 15.5974 23.702 98.9657 8.28661 19.395 9.84148 6.91006 TIMING: 117000 CPU: 340.374, 0.00290959/step Wall: 340.374, 0.00290959/step, 3.94653 hours remaining, 200.933594 MB of memory in use. ENERGY: 117000 735.7782 2103.5588 1966.5520 127.2435 -206254.1303 17770.5188 0.0000 0.0000 34229.6190 -149320.8601 298.9358 -183550.4791 -149225.6155 299.0875 74.9640 107.0444 556925.7992 3.7857 3.7302 PRESSURE: 117200 -98.3298 -68.5208 -75.6675 -68.5197 -139.175 -26.0399 -75.6672 -26.0415 -162.55 GPRESSURE: 117200 -113.107 -106.939 -92.9552 -14.7458 -118.047 -82.9805 -20.6296 -15.6012 -71.3326 PRESSAVG: 117200 -24.5077 6.51511 21.3571 6.51529 31.1987 17.8263 21.3572 17.8263 11.6864 GPRESSAVG: 117200 -26.3788 5.41658 23.8256 8.08595 30.7742 16.574 17.9293 17.9197 14.0905 TIMING: 117200 CPU: 340.951, 0.00288828/step Wall: 340.951, 0.00288828/step, 3.91747 hours remaining, 200.933594 MB of memory in use. ENERGY: 117200 704.4124 2067.8760 1936.4429 111.0295 -205914.7197 17573.2668 0.0000 0.0000 34289.1557 -149232.5364 299.4557 -183521.6921 -149137.6385 298.9650 -133.3515 -100.8291 558257.6395 6.1258 6.1620 PRESSURE: 117400 107.409 47.0366 -65.3859 47.036 -92.3371 -3.24675 -65.3857 -3.24669 -207.127 GPRESSURE: 117400 176.487 68.9304 -53.9503 80.8343 -69.9099 -12.4515 -56.7098 41.656 -201.667 PRESSAVG: 117400 32.6624 -41.2769 4.08806 -41.2769 -32.2297 -38.4926 4.08824 -38.4926 7.89776 GPRESSAVG: 117400 32.7224 -40.2823 4.371 -41.9637 -31.9295 -37.7746 7.09527 -39.8318 7.77881 TIMING: 117400 CPU: 341.529, 0.00288596/step Wall: 341.529, 0.00288596/step, 3.91416 hours remaining, 200.933594 MB of memory in use. ENERGY: 117400 732.1212 2100.1329 1943.7189 106.6526 -206094.6056 17652.2195 0.0000 0.0000 34300.1449 -149259.6156 299.5517 -183559.7605 -149165.6211 299.2598 -64.0184 -31.6967 556635.1244 2.7768 2.8572 PRESSURE: 117600 -285.566 -40.0195 -92.6357 -40.0198 79.4298 -63.4911 -92.6351 -63.4893 -116.398 GPRESSURE: 117600 -272.368 24.0339 -95.7558 -94.0422 63.8576 -53.7776 -95.611 -99.4768 -27.0239 PRESSAVG: 117600 29.2778 -30.8835 23.1038 -30.8835 22.5657 -12.8644 23.1039 -12.8643 -0.481162 GPRESSAVG: 117600 29.5751 -30.5314 21.3357 -32.292 22.7106 -12.7287 22.7412 -13.4303 -1.04238 TIMING: 117600 CPU: 342.111, 0.00291346/step Wall: 342.111, 0.00291346/step, 3.9513 hours remaining, 200.933594 MB of memory in use. ENERGY: 117600 746.2805 2048.2013 1954.7406 123.8184 -205830.1207 17486.0144 0.0000 0.0000 34203.6394 -149267.4261 298.7089 -183471.0655 -149174.3506 299.7619 -107.5111 -78.5115 558017.2632 17.1208 17.0811 PRESSURE: 117800 129.769 75.0118 118.727 75.0125 14.4318 81.707 118.726 81.7075 106.16 GPRESSURE: 117800 183.738 48.4573 92.451 93.6641 18.6047 95.566 147.495 35.9577 147.123 PRESSAVG: 117800 -18.5139 51.0534 -31.4781 51.0535 5.21083 -47.4312 -31.4782 -47.4312 10.2574 GPRESSAVG: 117800 -18.1291 49.6248 -32.2224 53.8301 4.56015 -46.9482 -31.5669 -47.284 10.9294 TIMING: 117800 CPU: 342.695, 0.0029171/step Wall: 342.695, 0.0029171/step, 3.95608 hours remaining, 200.933594 MB of memory in use. ENERGY: 117800 764.6709 2078.6068 1947.7697 106.1500 -206706.2751 18241.3296 0.0000 0.0000 34122.3576 -149445.3905 297.9990 -183567.7481 -149356.2930 299.0367 83.4534 116.4885 556940.4581 -1.0152 -0.8799 PRESSURE: 118000 -198.588 -80.511 1.60739 -80.5109 -169.971 86.5814 1.60693 86.5789 -299.167 GPRESSURE: 118000 -156.84 -50.5736 1.05909 -100.202 -123.333 24.7998 -2.99799 -0.690516 -286.641 PRESSAVG: 118000 -3.90511 -14.9149 -35.6745 -14.9149 19.4395 0.872393 -35.6745 0.87244 6.84212 GPRESSAVG: 118000 -2.89178 -13.9051 -32.7446 -14.3228 19.0654 -1.01226 -38.1262 1.70518 6.09824 TIMING: 118000 CPU: 343.275, 0.00289993/step Wall: 343.275, 0.00289994/step, 3.93263 hours remaining, 200.933594 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: 118000 747.6821 2112.8776 1972.8946 124.2875 -206255.7076 17568.0090 0.0000 0.0000 34228.9720 -149500.9848 298.9301 -183729.9569 -149407.2389 298.0858 -222.5753 -188.9377 556852.8370 7.4588 7.4240 PRESSURE: 118200 -282.817 127.854 -26.8719 127.854 -5.31902 14.9958 -26.8719 14.9958 -250.135 GPRESSURE: 118200 -187.945 192.202 -65.2584 102.101 31.6636 76.5564 -26.3017 6.10237 -286.982 PRESSAVG: 118200 -18.3983 25.483 44.8603 25.483 69.0899 -3.33678 44.8603 -3.33668 -75.8692 GPRESSAVG: 118200 -18.2055 24.2478 42.1103 25.1419 69.7297 -1.14228 47.073 -3.87815 -76.3918 TIMING: 118200 CPU: 343.855, 0.00290279/step Wall: 343.855, 0.00290279/step, 3.93634 hours remaining, 200.933594 MB of memory in use. ENERGY: 118200 727.5832 2076.4945 1989.2141 112.3283 -206428.9428 17594.8609 0.0000 0.0000 34417.3069 -149511.1550 300.5749 -183928.4619 -149412.6786 299.0114 -179.4236 -147.7545 556589.9863 -8.3925 -8.2892 PRESSURE: 118400 -207.8 41.3492 -157.514 41.3492 107.118 -29.6898 -157.514 -29.6887 -80.0751 GPRESSURE: 118400 -190.958 24.0221 -150.184 -12.5597 149.547 10.3055 -40.0657 -39.4839 -52.1555 PRESSAVG: 118400 19.6168 -4.90502 -2.18881 -4.90502 62.4327 47.7131 -2.18883 47.7132 -48.2257 GPRESSAVG: 118400 18.9175 -7.15765 -0.176876 -4.64631 62.4664 48.6158 -0.978051 47.5005 -48.046 TIMING: 118400 CPU: 344.436, 0.00290456/step Wall: 344.436, 0.00290456/step, 3.93859 hours remaining, 200.933594 MB of memory in use. ENERGY: 118400 758.3043 2039.1544 1968.8117 114.5571 -206483.4123 17850.1380 0.0000 0.0000 34249.1469 -149503.2999 299.1063 -183752.4468 -149406.3051 298.3275 -60.2525 -31.1885 558310.9418 11.2746 11.1126 PRESSURE: 118600 13.0975 -57.1725 -67.4805 -57.1738 -67.4439 -88.267 -67.4809 -88.2656 -23.3532 GPRESSURE: 118600 42.009 -8.65603 -164.436 -116.668 -41.0462 -164.377 30.8781 -108.469 18.4816 PRESSAVG: 118600 21.7874 27.559 -41.6784 27.559 17.4979 -16.5692 -41.6785 -16.5693 -23.8177 GPRESSAVG: 118600 22.7325 29.8042 -41.9867 28.1823 16.9049 -17.9315 -41.6522 -17.0217 -23.9125 TIMING: 118600 CPU: 345.021, 0.00292421/step Wall: 345.021, 0.00292421/step, 3.96507 hours remaining, 200.933594 MB of memory in use. ENERGY: 118600 745.2453 2125.0831 1968.8102 113.3607 -206743.9106 18042.1965 0.0000 0.0000 34148.9050 -149600.3097 298.2309 -183749.2147 -149511.3240 298.4449 -25.8999 6.4815 557535.4439 5.1559 5.2417 PRESSURE: 118800 -42.3948 146.677 127.598 146.679 134.632 -25.9163 127.598 -25.9175 -196.941 GPRESSURE: 118800 8.31167 193.481 160.804 211.33 125.28 -108.032 167.262 -26.1847 -144.346 PRESSAVG: 118800 -26.3797 16.9913 3.36735 16.9912 32.2449 -17.3311 3.36737 -17.3311 -27.1509 GPRESSAVG: 118800 -27.4729 16.3022 2.80222 15.6647 32.7269 -17.8539 2.70924 -16.6396 -26.7827 TIMING: 118800 CPU: 345.605, 0.00292121/step Wall: 345.605, 0.00292121/step, 3.96084 hours remaining, 200.933594 MB of memory in use. ENERGY: 118800 761.5891 2122.5536 1982.3822 119.6153 -206469.6537 17685.5802 0.0000 0.0000 34226.9693 -149570.9641 298.9126 -183797.9334 -149473.8863 298.8525 -34.9013 -3.5849 556686.4328 -7.0952 -7.1762 PRESSURE: 119000 -114.969 12.3672 -172.455 12.3687 -36.9542 29.6352 -172.455 29.6366 -304.299 GPRESSURE: 119000 -107.068 -2.68002 -84.5718 101.498 2.71219 27.5289 -149.563 61.0468 -266.37 PRESSAVG: 119000 -15.0195 -24.8282 31.0109 -24.8281 19.9418 7.49153 31.0108 7.49144 48.4386 GPRESSAVG: 119000 -14.7926 -23.9935 31.1415 -25.2555 19.9646 8.9469 29.9521 6.4171 48.0262 TIMING: 119000 CPU: 346.182, 0.00288458/step Wall: 346.182, 0.00288458/step, 3.91101 hours remaining, 200.933594 MB of memory in use. ENERGY: 119000 786.2162 2026.0897 1982.9688 86.8139 -206429.0917 17789.4266 0.0000 0.0000 34198.7300 -149558.8465 298.6660 -183757.5765 -149461.8092 298.6316 -152.0738 -123.5754 556757.9807 17.7870 17.7327 PRESSURE: 119200 -249.529 -75.3971 27.1671 -75.3977 -285.149 -118.385 27.1671 -118.385 -56.343 GPRESSURE: 119200 -202.227 -0.0426136 36.7186 -65.612 -288.363 -142.448 72.182 -90.879 3.2664 PRESSAVG: 119200 2.80618 -71.0232 10.9017 -71.0232 -1.9552 -73.7062 10.9017 -73.7062 -6.03049 GPRESSAVG: 119200 3.31102 -71.47 10.9289 -70.7978 -2.46223 -72.7192 11.3912 -74.0362 -6.12729 TIMING: 119200 CPU: 346.76, 0.00288997/step Wall: 346.76, 0.00288997/step, 3.91816 hours remaining, 200.933594 MB of memory in use. ENERGY: 119200 797.5604 2098.1222 1957.5987 103.2876 -206108.6335 17628.0891 0.0000 0.0000 34257.6223 -149266.3532 299.1803 -183523.9755 -149176.7855 298.8441 -197.0070 -162.4411 557496.1563 -1.7265 -1.7595 PRESSURE: 119400 -42.8448 -115.154 -172.283 -115.154 -5.16675 -105.427 -172.284 -105.426 -42.7696 GPRESSURE: 119400 -0.83452 -71.7983 -162.092 -136.659 9.38415 -84.6385 -61.7042 -80.4707 -3.56743 PRESSAVG: 119400 -52.1296 -14.6412 -43.8245 -14.6412 20.7791 -16.4153 -43.8245 -16.4153 -6.20769 GPRESSAVG: 119400 -53.7094 -16.9693 -42.0659 -13.7796 21.7557 -16.6775 -44.7633 -15.3409 -5.56137 TIMING: 119400 CPU: 347.341, 0.0029064/step Wall: 347.341, 0.0029064/step, 3.94027 hours remaining, 200.933594 MB of memory in use. ENERGY: 119400 745.2470 2081.6923 1959.7389 102.9232 -206252.4362 17898.4921 0.0000 0.0000 34174.8686 -149289.4741 298.4576 -183464.3427 -149194.3531 298.5892 -30.2604 1.6607 558077.7489 -12.5194 -12.5050 PRESSURE: 119600 -57.366 -51.9482 -196.764 -51.9482 -81.5496 156.157 -196.763 156.155 -44.892 GPRESSURE: 119600 -55.5356 -38.1055 -146.099 -70.8201 -17.5345 92.0394 -237.858 99.1678 -16.7636 PRESSAVG: 119600 3.39655 -24.1714 -11.0859 -24.1715 56.7756 -17.5053 -11.0859 -17.5053 -22.4293 GPRESSAVG: 119600 4.16777 -21.7211 -13.1932 -24.5455 55.7911 -18.5642 -10.5911 -18.0901 -22.4273 TIMING: 119600 CPU: 347.918, 0.00288105/step Wall: 347.918, 0.00288105/step, 3.90574 hours remaining, 200.933594 MB of memory in use. ENERGY: 119600 740.5176 2055.9565 1964.3234 113.7527 -205986.1236 17724.2619 0.0000 0.0000 34204.4022 -149182.9095 298.7156 -183387.3117 -149088.4601 298.7976 -61.2692 -29.9446 557969.6266 12.5809 12.5105 PRESSURE: 119800 212.82 -104.182 159.365 -104.181 -280.005 -30.7679 159.366 -30.7669 -73.5977 GPRESSURE: 119800 205.224 -94.6513 121.664 -166.8 -208.579 -133.576 180.469 7.19582 -47.8777 PRESSAVG: 119800 49.8003 46.6431 13.8998 46.643 4.01813 7.89308 13.8998 7.89301 -58.1027 GPRESSAVG: 119800 48.2253 46.3602 13.102 46.8665 4.96895 7.23236 15.8456 7.73451 -57.8343 TIMING: 119800 CPU: 348.497, 0.00289646/step Wall: 348.497, 0.00289646/step, 3.92648 hours remaining, 200.933594 MB of memory in use. ENERGY: 119800 762.9958 2130.2968 1964.0441 115.4654 -206366.6228 17865.6367 0.0000 0.0000 34205.0968 -149323.0872 298.7216 -183528.1839 -149231.2141 298.0151 -46.9277 -17.0774 558366.8907 -1.4281 -1.5467 PRESSURE: 120000 129.546 26.9199 21.1234 26.9182 309.03 34.3688 21.1234 34.3677 19.1775 GPRESSURE: 120000 203.722 -4.29443 6.40796 5.23092 319.453 75.1715 49.0537 45.125 29.9075 PRESSAVG: 120000 42.0717 10.9453 28.1446 10.9452 5.57696 -50.1088 28.1446 -50.1087 -32.2144 GPRESSAVG: 120000 43.5404 11.1031 28.908 9.03897 4.44192 -49.9382 25.3185 -48.7801 -31.8823 TIMING: 120000 CPU: 349.076, 0.00289532/step Wall: 349.076, 0.00289532/step, 3.92477 hours remaining, 200.933594 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: 120000 743.4420 2077.3688 1955.9333 91.7060 -206678.5826 18249.0192 0.0000 0.0000 34450.9325 -149110.1808 300.8686 -183561.1133 -149018.1706 298.9985 152.5843 184.3610 557010.3423 5.1447 5.3667 PRESSURE: 120200 -304.061 39.6257 24.6214 39.6248 76.7306 234.556 24.6218 234.556 -62.6296 GPRESSURE: 120200 -242.945 37.491 48.618 8.33607 69.4961 225.373 61.3119 223.891 -15.8662 PRESSAVG: 120200 14.9703 -52.234 -24.0171 -52.2339 46.3564 -9.32203 -24.017 -9.32208 -37.9579 GPRESSAVG: 120200 14.8925 -53.2131 -24.9115 -49.4983 47.8934 -8.24633 -21.0449 -10.1095 -39.3807 TIMING: 120200 CPU: 349.661, 0.0029237/step Wall: 349.661, 0.0029237/step, 3.96307 hours remaining, 200.933594 MB of memory in use. ENERGY: 120200 764.0345 2097.8056 1981.5047 112.6648 -206027.8345 17641.7579 0.0000 0.0000 34254.5494 -149175.5177 299.1535 -183430.0671 -149075.8902 299.6532 -96.6533 -63.1050 557312.0824 7.7896 7.8017 LDB: ============= START OF LOAD BALANCING ============== 353.127 LDB: ============== END OF LOAD BALANCING =============== 353.128 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 353.129 LDB: ============= START OF LOAD BALANCING ============== 353.418 LDB: Largest compute 4820 load 0.031625 is 26.9% of average load 0.117384 LDB: Average compute 0.001733 is 1.5% of average load 0.117384 LDB: TIME 353.42 LOAD: AVG 0.117384 MAX 0.179584 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.574 MB LDB: TIME 353.421 LOAD: AVG 0.117384 MAX 0.179584 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.637 MB LDB: TIME 353.421 LOAD: AVG 0.117384 MAX 0.179584 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 353.422 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 353.426 Info: useSync: 0 useProxySync: 0 PRESSURE: 120400 -93.5351 118.836 -177.261 118.835 -37.029 -20.503 -177.262 -20.5026 -50.0797 GPRESSURE: 120400 5.40331 92.01 -55.0873 113.082 -15.7992 -13.3585 -211.951 -8.72233 -77.6767 PRESSAVG: 120400 31.9548 31.0423 62.2924 31.0423 53.0276 -56.41 62.2923 -56.4099 -88.606 GPRESSAVG: 120400 32.5367 31.8609 63.7795 30.169 53.2097 -55.9022 61.7672 -57.3006 -89.6269 TIMING: 120400 CPU: 350.251, 0.00295239/step Wall: 350.251, 0.00295239/step, 4.00179 hours remaining, 201.503906 MB of memory in use. ENERGY: 120400 759.4015 2047.0426 1959.4916 116.3695 -206081.7496 17693.4220 0.0000 0.0000 34256.4141 -149249.6082 299.1698 -183506.0224 -149153.4398 299.1674 -60.2146 -29.3575 555985.9039 -1.2079 -1.2935 PRESSURE: 120600 -7.18851 100.609 -38.7131 100.609 -74.819 58.215 -38.7144 58.2139 -326.073 GPRESSURE: 120600 17.4486 34.4565 87.4398 153.429 -23.3358 -4.8368 -195.427 41.794 -299.089 PRESSAVG: 120600 -30.5232 -19.3185 -31.9176 -19.3185 34.9985 -2.67489 -31.9176 -2.6749 -9.36287 GPRESSAVG: 120600 -30.4927 -21.2681 -30.0639 -17.4046 34.0162 -3.40375 -33.0994 -0.818499 -8.42641 TIMING: 120600 CPU: 350.833, 0.00290978/step Wall: 350.833, 0.00290978/step, 3.94389 hours remaining, 201.832031 MB of memory in use. ENERGY: 120600 775.4653 2034.3787 1949.8187 104.8667 -206211.2275 17754.5305 0.0000 0.0000 34349.4848 -149242.6829 299.9826 -183592.1676 -149147.1544 299.3201 -136.0269 -101.6588 556677.2760 -1.6292 -1.6343 PRESSURE: 120800 -229.785 69.3687 23.737 69.3678 -84.73 -98.5512 23.7367 -98.5526 -277.912 GPRESSURE: 120800 -181.121 62.9303 20.1979 4.55717 -91.8818 -241.634 74.7954 -66.3506 -218.821 PRESSAVG: 120800 13.4231 -21.7314 -23.4341 -21.7314 -0.0891041 12.923 -23.4341 12.923 28.5781 GPRESSAVG: 120800 13.5657 -21.0367 -25.989 -25.1541 -0.531041 13.687 -22.5039 12.3017 28.4231 TIMING: 120800 CPU: 351.415, 0.00290761/step Wall: 351.415, 0.0029076/step, 3.94077 hours remaining, 201.832031 MB of memory in use. ENERGY: 120800 726.4464 2060.2993 1972.4519 108.7981 -205923.8964 17628.3455 0.0000 0.0000 34174.8127 -149252.7423 298.4571 -183427.5551 -149160.5272 298.3824 -197.4758 -163.9413 559321.1099 13.9707 13.8193 PRESSURE: 121000 94.6985 45.8677 52.0057 45.8663 -172.279 -35.4003 52.0065 -35.3992 197.767 GPRESSURE: 121000 73.2025 18.6638 58.683 30.4586 -41.6422 -62.9149 -25.9481 61.2472 179.029 PRESSAVG: 121000 -36.5594 22.0824 -37.9526 22.0825 27.5839 1.83225 -37.9526 1.83219 14.8265 GPRESSAVG: 121000 -38.1005 23.2146 -34.731 22.2815 29.1247 2.2061 -39.4809 2.21793 14.0923 TIMING: 121000 CPU: 351.998, 0.00291436/step Wall: 351.998, 0.00291436/step, 3.94977 hours remaining, 201.832031 MB of memory in use. ENERGY: 121000 746.8245 2088.6380 1969.7493 114.1670 -206414.9133 17968.8860 0.0000 0.0000 34250.7890 -149275.8595 299.1207 -183526.6485 -149183.6848 298.6589 40.0619 70.1964 557741.8170 1.9503 1.7055 PRESSURE: 121200 -197.42 -4.6204 82.6995 -4.62088 141.573 -14.5606 82.7001 -14.5624 -128.225 GPRESSURE: 121200 -178.282 -9.44593 70.001 3.09188 168.526 -4.57698 17.5894 1.1407 -86.8644 PRESSAVG: 121200 -51.9441 -7.87523 43.4998 -7.87517 2.97215 -25.5621 43.4997 -25.5621 67.6624 GPRESSAVG: 121200 -50.5787 -8.202 42.4655 -7.27272 1.62719 -26.3454 44.8379 -26.0426 67.4755 TIMING: 121200 CPU: 352.577, 0.00289739/step Wall: 352.577, 0.00289739/step, 3.92661 hours remaining, 201.832031 MB of memory in use. ENERGY: 121200 721.6840 2053.9282 1951.1706 107.5669 -205785.5539 17577.1239 0.0000 0.0000 34202.1061 -149171.9742 298.6955 -183374.0804 -149075.5337 299.3031 -61.3572 -32.2068 557644.2990 6.2302 6.1747 PRESSURE: 121400 -62.9646 210.504 34.9935 210.503 115.578 51.5827 34.9943 51.5835 -107.274 GPRESSURE: 121400 -9.08162 133.551 90.0201 207.901 124.454 32.0039 119.858 137.358 -76.48 PRESSAVG: 121400 -7.37151 38.9356 33.5975 38.9356 -22.5776 -58.8363 33.5975 -58.8364 58.0304 GPRESSAVG: 121400 -7.81508 37.9469 31.7717 38.9669 -21.6611 -58.9406 34.6532 -59.9656 57.7397 TIMING: 121400 CPU: 353.158, 0.00290468/step Wall: 353.158, 0.00290468/step, 3.93633 hours remaining, 201.832031 MB of memory in use. ENERGY: 121400 736.1113 2054.0365 1991.6430 118.1726 -206164.1743 17733.5489 0.0000 0.0000 34449.3343 -149081.3278 300.8546 -183530.6621 -148980.5598 299.0326 -18.2205 12.9640 556242.7454 9.3604 9.4212 PRESSURE: 121600 -13.8948 -84.1153 -6.63298 -84.115 333.51 -58.1428 -6.63311 -58.1434 187.566 GPRESSURE: 121600 101.936 -137.256 -28.44 24.5375 310.51 12.8636 -0.389192 -139.804 192.795 PRESSAVG: 121600 19.4005 29.9896 1.14228 29.9895 -30.4956 -13.5455 1.14229 -13.5455 37.8926 GPRESSAVG: 121600 20.326 31.2822 1.86152 29.3302 -30.9276 -14.4277 -0.338323 -10.6501 37.1253 TIMING: 121600 CPU: 353.738, 0.0028998/step Wall: 353.738, 0.0028998/step, 3.92955 hours remaining, 201.902344 MB of memory in use. ENERGY: 121600 738.0719 2092.7291 1983.3687 111.8352 -206044.7420 17828.7442 0.0000 0.0000 34328.2802 -148961.7126 299.7974 -183289.9928 -148878.6000 300.0121 169.0603 201.7470 556131.8318 8.9325 8.8412 PRESSURE: 121800 -123.181 75.0125 58.4566 75.0123 -318.086 8.33582 58.4569 8.33543 -185.67 GPRESSURE: 121800 -108.419 4.11993 96.7631 60.1302 -299.562 36.4105 62.1262 -146.879 -125.456 PRESSAVG: 121800 -53.9064 58.8566 15.8271 58.8566 -14.7976 50.5054 15.827 50.5053 57.1268 GPRESSAVG: 121800 -55.8195 57.3739 14.5912 59.3317 -14.0972 50.2592 16.3582 49.2145 58.243 TIMING: 121800 CPU: 354.317, 0.00289328/step Wall: 354.317, 0.00289328/step, 3.92055 hours remaining, 201.902344 MB of memory in use. ENERGY: 121800 749.9741 2090.5455 1947.9229 102.3608 -205787.0653 17486.7548 0.0000 0.0000 34415.5326 -148993.9745 300.5594 -183409.5071 -148894.8352 299.5084 -208.9790 -177.8124 558715.7468 -3.8591 -3.8912 PRESSURE: 122000 192.587 102.532 -213.303 102.53 2.00804 104.257 -213.304 104.257 7.61195 GPRESSURE: 122000 165.483 136.345 -148.042 103.73 42.907 124.619 -209.711 167.203 84.3395 PRESSAVG: 122000 12.902 12.4235 11.079 12.4235 -40.2912 15.087 11.0789 15.0869 34.3527 GPRESSAVG: 122000 13.1748 12.1106 13.1829 14.7967 -42.2265 16.1975 11.0371 13.8909 35.3281 TIMING: 122000 CPU: 354.893, 0.00288375/step Wall: 354.893, 0.00288375/step, 3.90748 hours remaining, 201.902344 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: 122000 712.5893 2104.9440 1977.3716 117.1705 -206448.1742 18042.1569 0.0000 0.0000 34437.3046 -149056.6372 300.7495 -183493.9418 -148961.2343 299.9984 67.4022 97.5765 558175.9130 2.3212 2.0922 PRESSURE: 122200 -384.299 84.8023 127.185 84.8012 -162.641 169.281 127.185 169.284 -132.467 GPRESSURE: 122200 -399.355 -11.2339 90.2061 118.528 -95.845 50.1312 163.337 194.869 -85.0658 PRESSAVG: 122200 -59.4565 12.0476 -9.19676 12.0475 69.0198 11.7059 -9.19674 11.7059 -0.687851 GPRESSAVG: 122200 -59.358 11.9991 -9.09076 9.36345 70.7761 10.5123 -8.79997 13.6188 -2.31754 TIMING: 122200 CPU: 355.475, 0.00290906/step Wall: 355.475, 0.00290906/step, 3.94161 hours remaining, 201.902344 MB of memory in use. ENERGY: 122200 778.9991 2085.0864 1982.6885 121.3638 -205772.9958 17547.7933 0.0000 0.0000 34365.1601 -148891.9045 300.1195 -183257.0647 -148786.6152 300.1312 -226.4694 -193.4219 558625.9460 2.9585 3.0335 PRESSURE: 122400 -60.3981 21.6201 -26.2372 21.62 139.11 146.726 -26.2376 146.726 144.838 GPRESSURE: 122400 -14.5272 66.1801 18.2812 17.1333 142.765 98.6304 -58.3373 151.96 201.712 PRESSAVG: 122400 1.92843 -41.3771 61.8435 -41.3771 22.1903 1.47207 61.8435 1.47195 7.20765 GPRESSAVG: 122400 1.75377 -40.7614 59.6591 -40.714 22.0615 2.73829 61.3317 1.07476 7.81706 TIMING: 122400 CPU: 356.059, 0.00291836/step Wall: 356.059, 0.00291836/step, 3.95406 hours remaining, 201.902344 MB of memory in use. ENERGY: 122400 755.0913 2086.2858 1963.5780 116.6084 -206446.1647 18151.5595 0.0000 0.0000 34374.6314 -148998.4102 300.2022 -183373.0417 -148899.9750 300.3971 74.5167 109.9833 557325.6979 10.4421 10.5441 PRESSURE: 122600 -308.627 -54.2852 -24.2254 -54.2853 -141.943 -187.117 -24.2261 -187.116 -403.349 GPRESSURE: 122600 -289.116 -24.8781 29.4901 -112.101 -87.627 -207.916 -68.4423 -84.3307 -382.227 PRESSAVG: 122600 10.0276 -9.33493 23.5046 -9.33492 18.3947 3.31281 23.5045 3.31283 -4.82101 GPRESSAVG: 122600 9.56259 -7.66671 23.5338 -9.03593 18.0612 4.40419 23.7926 2.53049 -4.36477 TIMING: 122600 CPU: 356.644, 0.0029253/step Wall: 356.644, 0.0029253/step, 3.96329 hours remaining, 201.902344 MB of memory in use. ENERGY: 122600 761.8908 2062.4606 1985.3982 123.9467 -205337.7325 17276.7935 0.0000 0.0000 34356.2911 -148770.9515 300.0420 -183127.2427 -148665.9366 300.4053 -284.6396 -252.9899 558805.5836 7.8671 7.7530 PRESSURE: 122800 -50.715 155.261 55.6001 155.258 -2.26557 -122.458 55.6009 -122.457 82.8404 GPRESSURE: 122800 -24.7034 238.421 -39.6526 154.302 66.6337 -169.402 106.157 -117.352 85.0622 PRESSAVG: 122800 -74.11 1.11601 3.93826 1.11592 72.821 -62.7751 3.93824 -62.7752 32.9528 GPRESSAVG: 122800 -73.2575 0.875255 3.74859 1.33106 73.1987 -64.8537 2.89196 -60.6773 31.8872 TIMING: 122800 CPU: 357.229, 0.00292464/step Wall: 357.229, 0.00292464/step, 3.96223 hours remaining, 201.902344 MB of memory in use. ENERGY: 122800 723.3772 2065.6940 2005.5598 115.6866 -205685.8275 17652.0003 0.0000 0.0000 34319.0465 -148804.4631 299.7168 -183123.5096 -148713.3115 300.4175 9.9533 42.3308 557586.9577 10.5546 10.6095 PRESSURE: 123000 -40.7156 97.4905 94.8898 97.4904 -78.8864 -40.0413 94.889 -40.0403 -37.7732 GPRESSURE: 123000 5.63302 106.234 108.58 7.65858 -73.4574 -88.7495 59.2308 -46.7892 11.4014 PRESSAVG: 123000 15.4736 -37.7457 29.8434 -37.7456 5.96303 -8.04079 29.8435 -8.04083 -9.26295 GPRESSAVG: 123000 14.6143 -38.8339 29.1038 -38.1385 5.48569 -8.62967 31.9051 -8.82811 -8.18832 TIMING: 123000 CPU: 357.813, 0.0029199/step Wall: 357.813, 0.0029199/step, 3.95565 hours remaining, 201.902344 MB of memory in use. ENERGY: 123000 760.8339 2042.2244 2006.4100 121.0923 -206105.9212 17893.6548 0.0000 0.0000 34424.0667 -148857.6391 300.6339 -183281.7058 -148766.8725 300.0080 -52.4584 -18.8077 558792.1394 4.0579 3.9705 PRESSURE: 123200 -146.424 -68.7594 -21.4209 -68.7595 14.7039 -37.5525 -21.4218 -37.5527 -269.698 GPRESSURE: 123200 -107.037 -95.2338 1.37849 -28.8922 46.8855 23.7373 -3.8556 -105.788 -249.975 PRESSAVG: 123200 -26.7421 45.3726 16.6316 45.3726 7.06587 21.0925 16.6316 21.0925 10.8579 GPRESSAVG: 123200 -25.6235 44.8667 20.0988 45.8021 6.7432 23.4283 15.9497 19.9127 9.54569 TIMING: 123200 CPU: 358.389, 0.00288299/step Wall: 358.389, 0.00288299/step, 3.9055 hours remaining, 201.902344 MB of memory in use. ENERGY: 123200 770.8152 2131.5926 1997.0211 101.2069 -206079.4070 17656.2465 0.0000 0.0000 34597.8912 -148824.6335 302.1520 -183422.5247 -148720.3794 299.8584 -133.8060 -103.3753 558199.3109 -2.9394 -3.1115 PRESSURE: 123400 -15.0537 5.5308 -98.6032 5.53075 -134.645 75.2532 -98.6021 75.2533 -303.914 GPRESSURE: 123400 6.55868 -1.68319 -129.725 -41.5545 -82.0574 63.0513 0.636569 54.1129 -282.54 PRESSAVG: 123400 -4.39111 20.9203 -25.3903 20.9203 14.1555 -2.17505 -25.3902 -2.17503 -42.7848 GPRESSAVG: 123400 -5.01534 22.3309 -27.1949 19.7922 14.0803 -3.52005 -25.618 -2.39754 -42.1402 TIMING: 123400 CPU: 358.972, 0.00291133/step Wall: 358.972, 0.00291133/step, 3.94372 hours remaining, 201.902344 MB of memory in use. ENERGY: 123400 701.7495 2091.4264 1964.9730 119.8533 -205498.8575 17454.3137 0.0000 0.0000 34202.2712 -148964.2704 298.6969 -183166.5415 -148875.8830 299.5307 -151.2043 -119.3462 559086.0072 -11.0068 -11.0251 PRESSURE: 123600 -196.326 57.0118 -68.3259 57.0125 -329.331 16.5802 -68.3249 16.5816 -193.835 GPRESSURE: 123600 -162.591 75.0368 1.90679 80.5061 -319.493 41.3388 -93.6406 -22.392 -140.739 PRESSAVG: 123600 40.793 -9.06358 4.88662 -9.06357 10.532 2.15685 4.88665 2.15689 -26.9689 GPRESSAVG: 123600 40.957 -10.1427 5.18141 -9.73801 10.0972 2.21075 3.63179 2.03174 -26.8676 TIMING: 123600 CPU: 359.559, 0.00293682/step Wall: 359.559, 0.00293682/step, 3.97808 hours remaining, 201.902344 MB of memory in use. ENERGY: 123600 761.0280 2096.5694 1955.3349 114.7371 -205570.3085 17409.2392 0.0000 0.0000 34272.1314 -148961.2685 299.3070 -183233.3999 -148870.5861 299.4960 -239.8308 -207.6076 558561.6650 8.1187 8.0622 PRESSURE: 123800 31.8062 38.7163 72.949 38.7158 110.599 -29.2971 72.9496 -29.2969 17.5129 GPRESSURE: 123800 93.066 32.6715 149.521 5.01146 131.997 -19.3227 141.629 -32.2317 26.5245 PRESSAVG: 123800 1.66236 3.21219 9.56846 3.21215 -11.0434 11.4543 9.56848 11.4542 -33.0075 GPRESSAVG: 123800 1.58487 3.31169 11.5008 4.24225 -11.9088 11.923 9.42648 13.4426 -32.321 TIMING: 123800 CPU: 360.145, 0.00293082/step Wall: 360.145, 0.00293082/step, 3.96979 hours remaining, 202.105469 MB of memory in use. ENERGY: 123800 775.6722 2061.2543 2004.6709 105.3085 -206290.9086 18050.5388 0.0000 0.0000 34359.9849 -148933.4789 300.0743 -183293.4638 -148829.5697 299.7308 53.3059 83.8625 557984.5692 -14.1295 -14.2150 PRESSURE: 124000 134.125 -16.9387 75.7308 -16.9373 -28.921 -67.3266 75.7307 -67.3249 -33.981 GPRESSURE: 124000 174.621 -26.319 -25.3767 -21.7158 -17.2766 -106.88 97.1306 -48.4611 12.4463 PRESSAVG: 124000 75.8501 15.6747 45.1968 15.6747 -56.9972 14.8049 45.1968 14.8049 14.9816 GPRESSAVG: 124000 75.8381 15.1378 43.4813 16.7977 -56.1803 13.9149 45.865 13.5061 13.9875 TIMING: 124000 CPU: 360.729, 0.00292113/step Wall: 360.729, 0.00292113/step, 3.95651 hours remaining, 202.105469 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: 124000 752.5330 2123.0843 1980.2530 112.7647 -206197.2828 17850.5516 0.0000 0.0000 34499.9614 -148878.1350 301.2967 -183378.0963 -148781.2509 300.0068 23.7409 56.5970 557597.0490 11.2782 11.2151 PRESSURE: 124200 59.2438 139.328 122.056 139.33 -315.141 -4.84613 122.056 -4.84563 -207.04 GPRESSURE: 124200 129.552 109.988 142.237 133.361 -314.593 -49.0115 104.219 63.4563 -193.446 PRESSAVG: 124200 111.438 42.3633 77.8701 42.3632 -108.943 -28.3843 77.8701 -28.3843 23.874 GPRESSAVG: 124200 112.013 42.5755 76.3524 41.1203 -110.079 -26.3179 79.2919 -26.7074 24.606 TIMING: 124200 CPU: 361.314, 0.00292537/step Wall: 361.314, 0.00292537/step, 3.96208 hours remaining, 202.105469 MB of memory in use. ENERGY: 124200 731.6237 2063.2929 1969.1302 114.8977 -205758.2357 17518.8742 0.0000 0.0000 34485.8705 -148874.5466 301.1737 -183360.4170 -148780.4130 300.1046 -154.3123 -126.1623 559375.1428 8.7895 8.8469 LDB: ============= START OF LOAD BALANCING ============== 364.779 LDB: ============== END OF LOAD BALANCING =============== 364.779 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 364.78 LDB: ============= START OF LOAD BALANCING ============== 365.068 LDB: Largest compute 4820 load 0.030326 is 25.8% of average load 0.117443 LDB: Average compute 0.001735 is 1.5% of average load 0.117443 LDB: TIME 365.07 LOAD: AVG 0.117443 MAX 0.176962 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.121 MB LDB: TIME 365.07 LOAD: AVG 0.117443 MAX 0.176962 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.359 MB LDB: TIME 365.07 LOAD: AVG 0.117443 MAX 0.176962 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 365.072 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 365.076 PRESSURE: 124400 269.824 184.535 90.294 184.534 149.361 9.1957 90.2933 9.1963 -177.645 GPRESSURE: 124400 306.425 108.213 2.1557 222.834 157.922 -38.9959 133.446 78.629 -130.642 PRESSAVG: 124400 59.1625 -42.284 -18.5924 -42.2839 -32.4878 11.0489 -18.5925 11.0489 -21.5906 GPRESSAVG: 124400 59.0868 -43.258 -17.3017 -39.6905 -31.5989 8.83643 -20.2186 11.218 -22.9424 TIMING: 124400 CPU: 361.901, 0.00293262/step Wall: 361.901, 0.00293262/step, 3.97175 hours remaining, 200.406250 MB of memory in use. ENERGY: 124400 699.1639 2096.3293 1976.6531 106.1871 -205776.4331 17790.9114 0.0000 0.0000 34286.4403 -148820.7480 299.4320 -183107.1882 -148719.9967 300.3658 80.5132 111.2352 557890.2003 1.6947 1.5152 PRESSURE: 124600 -8.06892 136.334 60.5972 136.334 -138.486 274.254 60.5969 274.253 -169.888 GPRESSURE: 124600 -9.3057 163.625 88.502 63.9065 -102.897 271.939 72.6568 214.885 -104.589 PRESSAVG: 124600 25.2888 -5.80657 25.6424 -5.80665 35.1148 3.25374 25.6425 3.25361 -51.9874 GPRESSAVG: 124600 24.5755 -4.60911 23.7243 -7.7086 36.3642 4.48182 27.3914 0.977269 -52.1793 TIMING: 124600 CPU: 362.479, 0.00288969/step Wall: 362.479, 0.00288969/step, 3.91344 hours remaining, 200.476562 MB of memory in use. ENERGY: 124600 757.7103 2066.3811 1974.3085 100.3294 -205805.8258 17613.8251 0.0000 0.0000 34225.1514 -149068.1201 298.8968 -183293.2715 -148969.3981 299.9828 -105.4810 -72.2637 556875.2963 2.8054 2.9201 PRESSURE: 124800 -8.30205 -48.8002 247.178 -48.7992 7.86434 205.695 247.178 205.695 342.719 GPRESSURE: 124800 13.5584 34.0897 263.73 -88.8925 25.5754 239.885 249.874 231.038 383.762 PRESSAVG: 124800 -1.51684 -2.58613 27.8656 -2.58617 -15.1546 30.1531 27.8656 30.153 -1.42939 GPRESSAVG: 124800 -0.922127 -2.42126 30.5589 -3.02931 -16.1405 30.294 27.521 30.8486 -1.32273 TIMING: 124800 CPU: 363.061, 0.0029085/step Wall: 363.061, 0.0029085/step, 3.93876 hours remaining, 200.476562 MB of memory in use. ENERGY: 124800 738.0387 2101.3253 1955.2687 111.1020 -206280.5166 17933.6513 0.0000 0.0000 34318.0202 -149123.1103 299.7078 -183441.1306 -149028.7177 299.1097 114.0937 140.9653 555253.8483 -6.0336 -6.1285 PRESSURE: 125000 41.8177 -141.773 155.893 -141.773 -294.554 -63.3999 155.894 -63.3994 -184.142 GPRESSURE: 125000 71.7996 -32.109 291.988 -213.03 -199.219 -59.3046 126.323 -46.4931 -209.315 PRESSAVG: 125000 87.203 17.5087 3.19343 17.5087 17.1856 -16.779 3.19345 -16.779 -44.418 GPRESSAVG: 125000 87.3004 18.4526 1.97687 17.0349 16.3372 -17.9517 3.038 -16.4882 -43.8306 TIMING: 125000 CPU: 363.64, 0.00289748/step Wall: 363.64, 0.00289748/step, 3.92367 hours remaining, 200.476562 MB of memory in use. ENERGY: 125000 753.8311 2087.5119 1980.1260 108.5950 -205909.8540 17643.4662 0.0000 0.0000 34160.4494 -149175.8744 298.3317 -183336.3238 -149077.6034 299.2542 -145.6259 -112.2450 556934.1752 19.9902 19.9357 PRESSURE: 125200 -213.224 41.4559 -56.0296 41.4561 -162.126 -169.093 -56.0302 -169.093 -19.5646 GPRESSURE: 125200 -140.905 -24.6703 -37.9626 101.584 -154.796 -193.765 -43.5836 -78.2179 0.855199 PRESSAVG: 125200 84.5394 -37.9498 45.1424 -37.9498 -85.3357 -0.607451 45.1424 -0.607473 -34.144 GPRESSAVG: 125200 84.8503 -36.8347 45.7539 -37.2796 -85.6002 1.16533 46.1707 -2.62165 -34.7894 TIMING: 125200 CPU: 364.22, 0.00290202/step Wall: 364.22, 0.00290202/step, 3.92966 hours remaining, 200.476562 MB of memory in use. ENERGY: 125200 748.7399 2066.9290 1979.8623 104.8612 -205941.8275 17632.2016 0.0000 0.0000 34202.2901 -149206.9435 298.6971 -183409.2336 -149108.8422 298.2749 -131.6383 -98.2820 559387.5513 -11.6468 -11.8464 PRESSURE: 125400 71.0402 9.85937 159.281 9.85852 -70.1491 -113.879 159.283 -113.878 -158.233 GPRESSURE: 125400 54.5599 17.6013 73.2741 35.8523 -3.8401 -122.549 109.415 -112.051 -110.856 PRESSAVG: 125400 24.9481 21.8875 -3.66629 21.8875 0.552192 -22.7524 -3.66631 -22.7523 -2.6533 GPRESSAVG: 125400 24.4087 20.0577 -4.51568 19.4505 0.456754 -24.6123 -5.45514 -21.0471 -1.57427 TIMING: 125400 CPU: 364.805, 0.00292353/step Wall: 364.805, 0.00292353/step, 3.95862 hours remaining, 200.476562 MB of memory in use. ENERGY: 125400 753.3659 2072.4619 1971.7126 117.5003 -205974.9224 17736.7429 0.0000 0.0000 34238.0614 -149085.0774 299.0095 -183323.1388 -148995.6155 299.0647 -52.4472 -20.0454 558317.6915 7.6157 7.7637 PRESSURE: 125600 -50.2599 -150.826 -39.9779 -150.826 -113.478 -120.804 -39.9777 -120.805 74.4876 GPRESSURE: 125600 -54.159 -164.699 -17.5139 -145.839 -78.8488 -149.037 -85.9316 -84.2788 135.226 PRESSAVG: 125600 20.4656 -36.0249 -3.11463 -36.0249 -17.8167 39.0482 -3.11464 39.0482 13.0529 GPRESSAVG: 125600 20.2831 -35.8541 -1.46263 -33.4115 -18.4475 37.6569 -3.40851 39.0193 13.6679 TIMING: 125600 CPU: 365.388, 0.00291426/step Wall: 365.388, 0.00291426/step, 3.94591 hours remaining, 200.476562 MB of memory in use. ENERGY: 125600 758.0865 2033.7283 1964.5513 110.2442 -206450.6251 17964.0940 0.0000 0.0000 34479.0479 -149140.8729 301.1141 -183619.9209 -149050.4069 299.3243 -29.7501 0.7394 558719.9985 5.2339 5.1678 PRESSURE: 125800 -126.92 91.8295 55.7659 91.8294 -191.765 81.0627 55.7644 81.0624 143.783 GPRESSURE: 125800 -81.5468 20.2085 67.031 129.134 -138.292 36.4067 39.3337 121.459 140.692 PRESSAVG: 125800 -66.828 -30.8225 -25.391 -30.8225 19.0464 50.5747 -25.391 50.5747 49.8758 GPRESSAVG: 125800 -66.4108 -31.1955 -25.507 -32.2878 19.4314 51.7702 -25.3486 48.5736 49.3209 TIMING: 125800 CPU: 365.972, 0.00292127/step Wall: 365.972, 0.00292127/step, 3.95523 hours remaining, 200.476562 MB of memory in use. ENERGY: 125800 737.5950 2067.2722 2022.1830 118.8016 -206083.9732 17635.4336 0.0000 0.0000 34322.8399 -149179.8479 299.7499 -183502.6878 -149078.1788 299.2883 -58.3007 -26.3821 556505.3844 0.6981 0.7805 PRESSURE: 126000 -82.197 5.86055 53.0294 5.86038 -174.324 27.199 53.0304 27.1992 -249.428 GPRESSURE: 126000 -37.8475 20.3172 86.6166 22.8514 -120.132 -15.3498 -77.9097 -24.3978 -247.256 PRESSAVG: 126000 14.1337 -6.86994 -13.1591 -6.86991 -111.996 32.2488 -13.1592 32.2489 47.3746 GPRESSAVG: 126000 13.8818 -7.09748 -13.1652 -7.22032 -111.091 31.4736 -12.5858 33.2316 46.6469 TIMING: 126000 CPU: 366.557, 0.00292319/step Wall: 366.557, 0.00292319/step, 3.95767 hours remaining, 200.476562 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: 126000 719.3665 2104.5184 1985.1883 102.2555 -205783.5009 17395.2513 0.0000 0.0000 34335.8991 -149141.0218 299.8639 -183476.9209 -149046.1465 299.3359 -168.6496 -135.0784 556554.4612 -16.8291 -16.8540 PRESSURE: 126200 -247.952 -96.0516 80.8731 -96.0521 -51.5892 113.063 80.8726 113.061 -164.41 GPRESSURE: 126200 -182.788 -14.8739 90.9983 -113.5 -14.3968 66.3405 70.4535 115.565 -168.874 PRESSAVG: 126200 49.5979 -23.5674 -11.3185 -23.5675 -8.65651 -6.51985 -11.3184 -6.51991 -48.8424 GPRESSAVG: 126200 49.7505 -23.2441 -12.7763 -22.7774 -8.81302 -6.58419 -11.0596 -5.32302 -48.6001 TIMING: 126200 CPU: 367.137, 0.00290201/step Wall: 367.137, 0.00290201/step, 3.92883 hours remaining, 200.476562 MB of memory in use. ENERGY: 126200 741.4285 2064.8680 2008.5100 122.8040 -205897.9803 17533.0383 0.0000 0.0000 34401.6360 -149025.6954 300.4380 -183427.3314 -148925.3403 299.2557 -154.6506 -122.0195 557310.4661 -2.6337 -2.5542 PRESSURE: 126400 319.759 -78.0104 -59.1396 -78.0109 64.7823 -203.392 -59.1398 -203.393 178.08 GPRESSURE: 126400 374.649 -108.278 -120.413 -42.6545 91.9617 -226.372 -26.5269 -211.875 194.846 PRESSAVG: 126400 41.462 -28.9192 -8.08528 -28.9191 18.8124 37.0811 -8.0853 37.0812 -25.5964 GPRESSAVG: 126400 42.2145 -29.9227 -8.12143 -27.8719 19.3578 37.4501 -7.94351 36.8944 -26.6617 TIMING: 126400 CPU: 367.714, 0.00288265/step Wall: 367.714, 0.00288265/step, 3.90247 hours remaining, 200.476562 MB of memory in use. ENERGY: 126400 742.4959 2082.8195 1965.1975 114.2040 -206523.5282 18158.8701 0.0000 0.0000 34302.0615 -149157.8799 299.5684 -183459.9414 -149055.2920 299.9584 187.5404 220.4855 555902.7707 11.5593 11.6369 PRESSURE: 126600 29.4386 -175.999 47.6125 -175.999 -202.241 -43.5396 47.6121 -43.5394 -143.093 GPRESSURE: 126600 36.9665 -145.025 -39.9933 -155.861 -147.746 -9.18692 129.537 -61.4276 -113.775 PRESSAVG: 126600 62.2929 -48.0566 -13.1065 -48.0565 -31.249 -5.67167 -13.1064 -5.67148 -32.3634 GPRESSAVG: 126600 61.6887 -47.447 -12.7372 -47.8928 -31.2315 -4.55367 -12.3076 -7.20174 -32.6043 TIMING: 126600 CPU: 368.292, 0.00288955/step Wall: 368.292, 0.00288955/step, 3.91165 hours remaining, 200.476562 MB of memory in use. ENERGY: 126600 762.9089 2105.0444 1978.6554 119.3978 -205919.1300 17542.8012 0.0000 0.0000 34326.1667 -149084.1555 299.7790 -183410.3222 -148990.5454 299.7724 -105.2985 -74.8514 555949.7523 -0.4398 -0.7157 PRESSURE: 126800 -142.943 115.386 -84.9438 115.386 1.3385 -86.4951 -84.9429 -86.4962 16.8645 GPRESSURE: 126800 -106.538 77.3917 -95.7498 33.0416 -5.66561 -73.0023 -81.7906 -121.582 82.0609 PRESSAVG: 126800 41.0634 25.3347 -66.5971 25.3348 41.2094 -1.65502 -66.5971 -1.65511 -40.3821 GPRESSAVG: 126800 40.5018 25.0784 -69.1148 24.5458 40.1002 -2.7521 -67.1408 1.73596 -39.2959 TIMING: 126800 CPU: 368.869, 0.00288562/step Wall: 368.869, 0.00288562/step, 3.90616 hours remaining, 200.476562 MB of memory in use. ENERGY: 126800 743.0225 2100.0219 1983.2343 101.7996 -205922.9742 17670.2041 0.0000 0.0000 34195.2904 -149129.4015 298.6360 -183324.6919 -149034.6950 300.2554 -41.5800 -10.0477 556137.3980 13.9636 13.7687 PRESSURE: 127000 -151.927 127.397 97.2436 127.397 -182.276 -83.4892 97.2441 -83.49 -295.463 GPRESSURE: 127000 -122.437 155.287 5.70047 175.923 -95.2116 -102.861 132.852 -78.5082 -320.462 PRESSAVG: 127000 -23.6301 -42.144 -46.9818 -42.144 24.6517 -39.6902 -46.9818 -39.6902 4.37043 GPRESSAVG: 127000 -23.6325 -43.0927 -43.9284 -41.6196 24.3017 -37.3741 -46.7175 -41.2697 4.55392 TIMING: 127000 CPU: 369.447, 0.00289244/step Wall: 369.447, 0.00289244/step, 3.91525 hours remaining, 200.476562 MB of memory in use. ENERGY: 127000 757.9587 2103.4466 1987.5729 118.4832 -206054.5011 17510.9147 0.0000 0.0000 34440.0169 -149136.1081 300.7732 -183576.1250 -149041.6883 299.6321 -209.8889 -179.3704 557336.4998 1.7974 1.7410 PRESSURE: 127200 -91.0307 5.20278 -29.7765 5.20337 -11.1856 -135.777 -29.7775 -135.777 103.201 GPRESSURE: 127200 -11.0794 -16.9345 -5.9523 -14.1619 13.5659 -221.208 -101.1 -132.632 105.305 PRESSAVG: 127200 52.3682 -11.0288 -37.2326 -11.0288 -21.7797 -5.62235 -37.2326 -5.62219 -58.0335 GPRESSAVG: 127200 52.8966 -10.6329 -37.1099 -10.9913 -20.9384 -7.39248 -37.8575 -4.83893 -59.262 TIMING: 127200 CPU: 370.026, 0.00289113/step Wall: 370.026, 0.00289113/step, 3.9133 hours remaining, 200.476562 MB of memory in use. ENERGY: 127200 705.7112 2105.5428 1985.7675 114.1242 -206226.9098 17818.9332 0.0000 0.0000 34534.2114 -148962.6195 301.5959 -183496.8308 -148862.2972 299.8965 0.3282 35.9304 557433.4786 -9.1484 -9.1013 PRESSURE: 127400 -85.0142 -90.9159 -16.8261 -90.9155 175.815 -64.0396 -16.8264 -64.0406 -56.8052 GPRESSURE: 127400 -48.6071 -31.2053 -34.7728 -94.8301 174.684 -165.448 -21.946 49.3997 3.18583 PRESSAVG: 127400 -10.6076 3.04965 -2.47052 3.04954 35.7387 -21.4649 -2.47042 -21.4649 -20.1586 GPRESSAVG: 127400 -9.63035 2.16995 -5.58212 1.69295 34.1208 -21.537 -2.9626 -21.0789 -19.2337 TIMING: 127400 CPU: 370.601, 0.00287587/step Wall: 370.601, 0.00287587/step, 3.89249 hours remaining, 200.476562 MB of memory in use. ENERGY: 127400 723.2031 2112.8601 1959.7562 136.2035 -205698.6339 17708.4078 0.0000 0.0000 34063.9967 -148994.2065 297.4894 -183058.2032 -148890.1869 300.6392 11.3317 43.0876 557441.9059 1.6575 1.7522 PRESSURE: 127600 -297.903 36.8597 67.5159 36.8596 -68.6868 126.63 67.5153 126.63 -18.447 GPRESSURE: 127600 -261.958 -10.1318 67.5873 -5.53835 -77.1473 83.0442 68.8883 81.8474 44.9372 PRESSAVG: 127600 -27.889 -15.3708 -8.39745 -15.3708 9.92345 -7.84831 -8.39766 -7.84835 -37.3212 GPRESSAVG: 127600 -28.3242 -14.9469 -5.53051 -15.9025 11.5266 -8.3676 -7.57944 -10.1055 -38.8182 TIMING: 127600 CPU: 371.175, 0.00287271/step Wall: 371.175, 0.00287271/step, 3.88806 hours remaining, 200.476562 MB of memory in use. ENERGY: 127600 784.2681 2113.2888 1969.8194 118.1416 -205875.3344 17589.7945 0.0000 0.0000 34426.0930 -148873.9288 300.6516 -183300.0219 -148769.9524 299.5571 -128.3456 -98.0561 558701.6724 -18.4289 -18.5386 PRESSURE: 127800 10.9484 54.8235 9.02463 54.8235 -176.473 206.159 9.02383 206.158 150.192 GPRESSURE: 127800 32.6609 53.0376 -52.5712 82.8932 -128.285 146.474 23.4192 256.206 167.6 PRESSAVG: 127800 -3.20005 8.90641 30.144 8.90643 -13.3136 78.4077 30.1442 78.4077 -19.0509 GPRESSAVG: 127800 -2.84499 9.65015 29.5927 10.533 -13.8616 77.8719 28.5241 80.8577 -18.4107 TIMING: 127800 CPU: 371.755, 0.0028962/step Wall: 371.755, 0.0028962/step, 3.91968 hours remaining, 200.476562 MB of memory in use. ENERGY: 127800 777.9365 2125.9101 1969.4790 109.4872 -205867.4004 17775.8253 0.0000 0.0000 34203.4387 -148905.3236 298.7071 -183108.7624 -148807.3070 300.5836 -5.1109 23.9920 558668.4761 -11.8549 -11.7058 PRESSURE: 128000 -177.526 9.14401 -39.8286 9.14264 -35.693 -169.242 -39.8298 -169.242 -179.051 GPRESSURE: 128000 -141.586 33.0032 -54.4873 -65.7075 -8.29554 -171.201 -70.9256 -173.778 -153.891 PRESSAVG: 128000 85.5627 13.5745 -14.5773 13.5745 -21.6203 46.5782 -14.5774 46.5782 -36.2642 GPRESSAVG: 128000 85.4674 13.8961 -14.8196 13.3476 -22.3433 45.6528 -12.7285 44.7616 -35.385 TIMING: 128000 CPU: 372.333, 0.00289027/step Wall: 372.333, 0.00289027/step, 3.9115 hours remaining, 200.476562 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: 128000 773.7732 2115.9489 1967.0115 100.1595 -205474.8338 17530.5740 0.0000 0.0000 34156.0272 -148831.3395 298.2931 -182987.3667 -148732.6328 299.7056 -130.7564 -101.2577 559249.1658 9.2261 9.2464 PRESSURE: 128200 -15.4307 59.6887 13.411 59.6883 -164.351 81.0735 13.4103 81.0725 -131.663 GPRESSURE: 128200 -10.2807 137.815 -51.7286 3.63898 -90.9604 15.4757 51.0208 45.5363 -98.7428 PRESSAVG: 128200 77.475 -1.81786 11.9974 -1.8179 5.9005 48.1021 11.9974 48.1021 -55.434 GPRESSAVG: 128200 76.7079 -3.24779 12.06 -0.496033 8.76621 49.9074 11.6199 48.7822 -56.6828 TIMING: 128200 CPU: 372.911, 0.00289212/step Wall: 372.911, 0.00289212/step, 3.91384 hours remaining, 200.476562 MB of memory in use. ENERGY: 128200 737.1679 2118.7630 1972.5329 110.3343 -205579.2586 17463.4608 0.0000 0.0000 34395.8447 -148781.1549 300.3875 -183176.9997 -148682.0677 299.8120 -103.8150 -66.6613 558579.1142 9.3138 9.5971 LDB: ============= START OF LOAD BALANCING ============== 376.378 LDB: ============== END OF LOAD BALANCING =============== 376.379 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 376.38 LDB: ============= START OF LOAD BALANCING ============== 376.672 LDB: Largest compute 4820 load 0.031433 is 26.8% of average load 0.117491 LDB: Average compute 0.001739 is 1.5% of average load 0.117491 LDB: TIME 376.675 LOAD: AVG 0.117491 MAX 0.17795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.668 MB LDB: TIME 376.675 LOAD: AVG 0.117491 MAX 0.17795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.871 MB LDB: TIME 376.675 LOAD: AVG 0.117491 MAX 0.17795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 376.677 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 376.681 PRESSURE: 128400 -25.1936 -10.859 68.8765 -10.8579 -205.156 286.74 68.877 286.742 -259.271 GPRESSURE: 128400 28.3075 -54.0459 100.566 -6.54609 -177.911 180.958 87.5114 239.787 -223.771 PRESSAVG: 128400 1.53379 -22.7934 0.493881 -22.7934 55.2085 -21.6379 0.493882 -21.638 -35.9411 GPRESSAVG: 128400 2.7354 -22.3621 2.35591 -24.3105 52.5368 -20.2308 -0.806899 -23.5212 -34.3703 TIMING: 128400 CPU: 373.506, 0.00297269/step Wall: 373.506, 0.00297269/step, 4.02271 hours remaining, 200.933594 MB of memory in use. ENERGY: 128400 783.5621 2152.2331 1980.9355 112.9524 -205806.4796 17764.0747 0.0000 0.0000 34312.2586 -148700.4632 299.6575 -183012.7218 -148606.5834 300.7112 -163.2069 -124.4580 558915.3413 6.9337 6.9673 PRESSURE: 128600 -180.522 73.1203 164.312 73.1206 -149.877 -44.4753 164.313 -44.4774 108.446 GPRESSURE: 128600 -138.586 53.735 176.972 147.853 -133.128 12.6513 212.741 -24.1228 145.094 PRESSAVG: 128600 -34.1891 18.2127 23.8297 18.2126 -28.8642 21.7665 23.8296 21.7665 34.2108 GPRESSAVG: 128600 -33.3672 17.8244 22.456 18.1358 -27.8628 20.1917 24.7065 24.1362 32.6663 TIMING: 128600 CPU: 374.084, 0.00289205/step Wall: 374.084, 0.00289205/step, 3.91342 hours remaining, 200.945312 MB of memory in use. ENERGY: 128600 758.5257 2180.7803 1958.6049 115.4934 -206022.2460 17822.4131 0.0000 0.0000 34364.4465 -148821.9822 300.1133 -183186.4287 -148725.3684 300.2407 -73.9844 -42.2066 558972.1818 -9.6142 -9.5212 PRESSURE: 128800 -105.085 -45.2029 -45.0807 -45.2043 -14.8939 -15.8899 -45.0802 -15.8915 -221.934 GPRESSURE: 128800 -44.3285 60.5515 -41.2274 -109.189 -29.588 -52.55 -26.9887 4.47008 -160.282 PRESSAVG: 128800 53.9854 5.06609 13.4649 5.06608 1.43156 53.7638 13.4649 53.7637 -37.9795 GPRESSAVG: 128800 52.7183 5.37375 12.943 6.69173 1.31085 53.0563 13.3818 53.6329 -36.807 TIMING: 128800 CPU: 374.664, 0.00289929/step Wall: 374.664, 0.00289929/step, 3.92306 hours remaining, 200.945312 MB of memory in use. ENERGY: 128800 729.8683 2119.1138 1961.1417 109.6495 -205859.0023 17752.2684 0.0000 0.0000 34330.1287 -148856.8320 299.8136 -183186.9607 -148761.2229 300.2704 -113.9710 -78.0661 559190.5093 5.8125 5.7407 PRESSURE: 129000 -211.052 135.432 -124.084 135.431 -339.57 130.97 -124.083 130.97 -128.391 GPRESSURE: 129000 -172.505 71.2196 -198.38 156.886 -312.008 157.092 4.99631 165.383 -105.71 PRESSAVG: 129000 -40.2421 -10.765 10.8257 -10.7649 -21.1496 15.0913 10.8256 15.0912 50.7905 GPRESSAVG: 129000 -40.8121 -10.3708 11.1249 -11.2074 -20.8 15.1525 10.9564 14.7588 51.6567 TIMING: 129000 CPU: 375.245, 0.00290739/step Wall: 375.245, 0.00290739/step, 3.93386 hours remaining, 200.945312 MB of memory in use. ENERGY: 129000 770.8720 2173.0409 1972.4421 107.9450 -205782.6291 17557.6844 0.0000 0.0000 34344.6107 -148856.0340 299.9400 -183200.6448 -148757.8442 300.7533 -226.3378 -196.7411 559000.6095 -3.5337 -3.3185 PRESSURE: 129200 77.6947 -138.738 113.892 -138.738 -352.241 -116.365 113.89 -116.364 -91.0589 GPRESSURE: 129200 98.9271 -59.6946 16.6352 -91.2907 -288.674 -117.559 79.1734 7.92277 -56.5786 PRESSAVG: 129200 73.4129 -21.2866 41.4046 -21.2865 -93.0041 -55.4554 41.4045 -55.4553 -10.8278 GPRESSAVG: 129200 74.4176 -21.6666 40.1526 -21.8336 -93.4194 -53.7473 41.2224 -56.4222 -11.6392 TIMING: 129200 CPU: 375.822, 0.0028853/step Wall: 375.822, 0.0028853/step, 3.90382 hours remaining, 200.945312 MB of memory in use. ENERGY: 129200 781.7627 2080.0406 1955.2834 113.3585 -206092.3176 17819.1315 0.0000 0.0000 34538.7580 -148803.9828 301.6356 -183342.7408 -148716.0823 299.2718 -121.8686 -82.1086 558954.8515 -10.1397 -10.2137 PRESSURE: 129400 21.4288 -126.933 -117.478 -126.931 -93.6502 -26.5986 -117.478 -26.5996 -119.845 GPRESSURE: 129400 74.117 -101.326 -110.505 -121.412 -61.8844 -116.33 -152.431 12.0826 -106.685 PRESSAVG: 129400 17.9889 -39.8292 16.0864 -39.8292 -24.635 -36.6626 16.0864 -36.6625 35.0888 GPRESSAVG: 129400 16.6968 -38.6571 17.1433 -40.7282 -24.5844 -39.2549 16.0305 -36.6001 36.1033 TIMING: 129400 CPU: 376.398, 0.00287901/step Wall: 376.398, 0.00287901/step, 3.89514 hours remaining, 200.945312 MB of memory in use. ENERGY: 129400 715.6918 2103.0423 1963.2974 116.8945 -205974.5458 17635.9047 0.0000 0.0000 34483.8222 -148955.8931 301.1558 -183439.7152 -148861.0630 300.0987 -64.0223 -31.4842 558621.6385 9.4809 9.4053 PRESSURE: 129600 -198.238 -49.9221 -4.90459 -49.9214 8.18374 8.2669 -4.90428 8.26586 -22.1304 GPRESSURE: 129600 -182.426 -35.743 149.441 -90.145 91.2344 14.743 -8.52847 -13.5024 -13.7275 PRESSAVG: 129600 -46.2591 24.933 -26.9978 24.9329 -19.1029 -37.436 -26.9977 -37.4361 106.534 GPRESSAVG: 129600 -45.366 24.2892 -28.1415 25.9276 -20.399 -36.6306 -25.5333 -36.725 106.57 TIMING: 129600 CPU: 376.979, 0.00290193/step Wall: 376.979, 0.00290193/step, 3.92599 hours remaining, 200.945312 MB of memory in use. ENERGY: 129600 741.5833 2115.6189 1954.1805 114.3328 -205786.3032 17803.0616 0.0000 0.0000 34158.1790 -148899.3471 298.3119 -183057.5261 -148802.5501 299.5692 -70.7282 -34.9730 559946.0554 13.7240 13.6018 PRESSURE: 129800 3.42597 -42.7962 212.64 -42.7972 81.2589 -77.8897 212.64 -77.8911 198.639 GPRESSURE: 129800 -18.0333 -88.9857 111.246 10.3521 154.091 -116.132 163.188 -101.216 250.478 PRESSAVG: 129800 -9.53981 1.89093 7.64512 1.89093 17.2488 -29.2869 7.64506 -29.2868 10.4523 GPRESSAVG: 129800 -9.97036 3.46262 8.45033 0.971509 18.4619 -28.5752 4.14989 -28.831 9.04553 TIMING: 129800 CPU: 377.56, 0.00290741/step Wall: 377.56, 0.00290741/step, 3.93324 hours remaining, 200.945312 MB of memory in use. ENERGY: 129800 741.5162 2076.1521 1961.4892 116.2281 -206335.5426 18142.8585 0.0000 0.0000 34279.4686 -149017.8298 299.3711 -183297.2984 -148916.9500 300.3609 94.4413 128.8451 558628.2705 6.0537 5.8457 PRESSURE: 130000 -123.534 193.925 172.586 193.925 -418.53 26.3378 172.587 26.3383 -167.829 GPRESSURE: 130000 -123.723 182.993 174.806 157.509 -400.883 70.1079 90.1353 -61.8438 -96.9005 PRESSAVG: 130000 -19.8971 -11.1537 0.229516 -11.1537 43.0884 0.855787 0.22942 0.855772 -40.3704 GPRESSAVG: 130000 -20.4485 -10.6435 -1.36079 -12.4092 42.7776 0.102484 0.850341 -0.069234 -39.4484 TIMING: 130000 CPU: 378.138, 0.00289041/step Wall: 378.138, 0.00289041/step, 3.91008 hours remaining, 200.945312 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: 130000 803.2456 2039.4004 1944.6654 111.2611 -205913.8563 17569.8795 0.0000 0.0000 34400.3527 -149045.0515 300.4268 -183445.4042 -148945.4078 299.3619 -236.6310 -207.1687 558932.0112 -5.7264 -5.7064 PRESSURE: 130200 -267.648 -45.7075 192.497 -45.7061 220.26 16.9519 192.497 16.9492 -117.225 GPRESSURE: 130200 -267.273 34.0753 213.649 -184.786 252.705 -19.7856 128.472 40.7503 -48.597 PRESSAVG: 130200 -60.9124 -13.4639 34.6878 -13.4639 22.1681 -30.9783 34.6879 -30.9784 42.4901 GPRESSAVG: 130200 -60.4108 -16.1967 36.541 -10.0871 23.1157 -31.4811 36.717 -29.7175 41.0455 TIMING: 130200 CPU: 378.719, 0.00290543/step Wall: 378.719, 0.00290544/step, 3.93025 hours remaining, 200.945312 MB of memory in use. ENERGY: 130200 701.8653 2098.0150 1990.5814 118.2760 -206257.7034 17840.5961 0.0000 0.0000 34471.2680 -149037.1017 301.0462 -183508.3697 -148938.3735 299.9128 -54.8708 -21.0550 558241.5014 1.2486 1.2501 PRESSURE: 130400 29.4888 -190.8 52.9776 -190.801 6.78271 -71.0117 52.9766 -71.0118 -90.0526 GPRESSURE: 130400 65.9711 -123.388 100.785 -207.766 14.6708 -33.1829 -11.5905 -148.609 -29.6941 PRESSAVG: 130400 45.8243 -82.9206 -28.6218 -82.9206 -8.3545 52.7078 -28.6217 52.7079 -87.8124 GPRESSAVG: 130400 45.7234 -83.0553 -30.1938 -83.6767 -8.26235 53.0305 -28.9192 52.6486 -87.5948 TIMING: 130400 CPU: 379.301, 0.00290906/step Wall: 379.301, 0.00290906/step, 3.93499 hours remaining, 200.945312 MB of memory in use. ENERGY: 130400 733.1056 2083.8937 1959.1696 117.8378 -206213.1356 17746.5591 0.0000 0.0000 34447.2260 -149125.3437 300.8362 -183572.5698 -149031.9830 299.9194 -17.9270 16.9826 558120.3066 -16.7808 -16.7112 PRESSURE: 130600 -132.966 -18.3172 -62.2534 -18.3167 238.048 75.6846 -62.2537 75.6846 95.4452 GPRESSURE: 130600 -83.2739 16.9649 -63.7326 -70.1396 218.51 33.1109 -53.7271 77.1703 157.787 PRESSAVG: 130600 1.39259 10.0082 -21.4182 10.0082 -4.62158 -13.0304 -21.4181 -13.0303 62.9047 GPRESSAVG: 130600 1.7248 12.7676 -20.727 7.99547 -6.99143 -13.0593 -21.2711 -15.2773 64.3938 TIMING: 130600 CPU: 379.884, 0.00291696/step Wall: 379.884, 0.00291696/step, 3.94551 hours remaining, 200.945312 MB of memory in use. ENERGY: 130600 791.7524 2054.9357 1983.8990 118.4512 -206386.9475 17978.4327 0.0000 0.0000 34256.6514 -149202.8252 299.1719 -183459.4766 -149104.8455 300.0863 66.8422 97.6743 558419.1235 19.8919 19.7091 PRESSURE: 130800 -124.434 73.5454 27.1461 73.5461 -215.689 -30.4651 27.1458 -30.4658 -253.827 GPRESSURE: 130800 -54.3641 73.0148 -0.281012 -14.0522 -225.428 -44.5228 24.477 57.0244 -204.913 PRESSAVG: 130800 8.34657 -12.9733 -31.2342 -12.9733 -54.3375 29.3364 -31.2343 29.3365 46.2714 GPRESSAVG: 130800 7.14483 -16.6244 -30.1468 -11.4579 -52.656 30.0332 -31.0856 31.7276 45.554 TIMING: 130800 CPU: 380.466, 0.00290892/step Wall: 380.466, 0.00290892/step, 3.93448 hours remaining, 200.945312 MB of memory in use. ENERGY: 130800 754.5837 2105.9344 1969.0157 112.4035 -205926.1369 17599.0002 0.0000 0.0000 34214.0537 -149171.1457 298.7998 -183385.1994 -149074.8732 299.4077 -197.9833 -161.5684 559523.6377 0.0935 0.0143 PRESSURE: 131000 86.6478 51.5346 -39.7025 51.5346 -217.971 28.4681 -39.7018 28.4694 18.2218 GPRESSURE: 131000 116.304 70.2432 -59.0951 -22.1293 -150.665 -45.9895 -71.4174 74.7083 12.9023 PRESSAVG: 131000 16.3696 32.614 -9.93076 32.6141 15.2084 4.38167 -9.9308 4.38176 -57.8197 GPRESSAVG: 131000 17.6575 37.0051 -9.624 30.9747 14.4322 4.73562 -12.5881 4.27221 -57.8577 TIMING: 131000 CPU: 381.045, 0.0028922/step Wall: 381.045, 0.0028922/step, 3.9117 hours remaining, 200.945312 MB of memory in use. ENERGY: 131000 743.9333 2173.7968 1981.5269 106.1665 -206215.5702 17814.2740 0.0000 0.0000 34277.6131 -149118.2596 299.3549 -183395.8727 -149016.6589 299.1774 -37.7006 -7.1531 559003.5910 -8.7472 -8.5893 PRESSURE: 131200 22.1217 77.1347 -46.1376 77.1356 50.6512 5.69087 -46.1396 5.68881 -95.9061 GPRESSURE: 131200 71.1164 36.1491 35.9377 131.268 63.2965 45.4079 -75.3696 -81.6086 -42.9545 PRESSAVG: 131200 30.2824 40.0974 9.09729 40.0974 -34.1619 -6.96345 9.09726 -6.96338 45.3584 GPRESSAVG: 131200 29.9388 37.2951 8.90431 40.756 -33.7173 -7.98855 11.5067 -8.11545 45.2235 TIMING: 131200 CPU: 381.624, 0.00289535/step Wall: 381.624, 0.00289535/step, 3.9158 hours remaining, 200.945312 MB of memory in use. ENERGY: 131200 733.2606 2138.3802 1977.1879 124.0858 -206046.9137 17840.2945 0.0000 0.0000 34160.6515 -149073.0532 298.3335 -183233.7047 -148974.5592 300.0558 -7.7110 30.4861 557034.3097 13.8263 13.8150 PRESSURE: 131400 -16.4019 -69.0775 -125.648 -69.0771 123.501 160.232 -125.649 160.232 -237.238 GPRESSURE: 131400 -29.1383 -18.0353 -171.904 -122.553 217.879 169.692 -121.468 149.544 -230.21 PRESSAVG: 131400 62.8403 -11.8939 18.9844 -11.8938 -59.6677 35.6222 18.9843 35.6221 -6.75036 GPRESSAVG: 131400 63.1099 -11.7973 17.765 -10.2025 -59.4399 35.927 18.2008 36.573 -6.71886 TIMING: 131400 CPU: 382.203, 0.0028966/step Wall: 382.203, 0.0028966/step, 3.91734 hours remaining, 200.945312 MB of memory in use. ENERGY: 131400 765.7870 2141.9258 1987.7335 122.4116 -205893.6157 17745.0752 0.0000 0.0000 34147.3040 -148983.3786 298.2169 -183130.6826 -148885.4509 299.0785 -43.3795 -13.8228 556974.7037 -1.1926 -1.0163 PRESSURE: 131600 304.846 -97.9206 -136.928 -97.921 404.264 -107.319 -136.927 -107.32 -120.059 GPRESSURE: 131600 384.765 -187.552 -219.246 -87.997 414.979 -127.022 -26.9121 -62.4685 -112.626 PRESSAVG: 131600 19.7194 8.84675 -14.4263 8.84681 -8.59937 -28.6072 -14.4263 -28.6072 -17.601 GPRESSAVG: 131600 19.2581 9.13098 -14.3876 7.83785 -7.64347 -27.0793 -14.0697 -28.9568 -18.267 TIMING: 131600 CPU: 382.787, 0.0029177/step Wall: 382.787, 0.0029177/step, 3.9457 hours remaining, 200.945312 MB of memory in use. ENERGY: 131600 716.9886 2149.4074 1980.8690 119.3175 -206481.6009 18223.5037 0.0000 0.0000 34193.8265 -149097.6883 298.6232 -183291.5148 -149005.7818 299.5663 196.3501 229.0391 557512.5746 -2.1603 -2.2174 PRESSURE: 131800 110.298 5.91059 -14.9529 5.91042 285.282 -22.2814 -14.9529 -22.2802 -50.8886 GPRESSURE: 131800 120.009 23.4575 -21.4894 -1.00081 262.285 16.1341 -19.5713 -65.0547 44.6069 PRESSAVG: 131800 51.1455 4.77596 -5.48912 4.77603 20.4233 -11.4448 -5.48923 -11.4449 -102.693 GPRESSAVG: 131800 51.596 4.69455 -4.98207 4.24913 18.1091 -11.5242 -7.83569 -14.0366 -101.138 TIMING: 131800 CPU: 383.366, 0.00289476/step Wall: 383.366, 0.00289476/step, 3.91452 hours remaining, 200.945312 MB of memory in use. ENERGY: 131800 753.2659 2125.3132 1950.9256 113.6026 -206301.9709 17896.0429 0.0000 0.0000 34327.6365 -149135.1843 299.7918 -183462.8208 -149042.9632 299.6209 114.8971 142.3003 557437.1998 -10.3747 -10.4775 PRESSURE: 132000 -237.697 -107.761 12.6239 -107.761 -37.0612 -36.1469 12.6245 -36.1474 -105.477 GPRESSURE: 132000 -126.682 -99.0431 -6.14484 -120.506 -87.3414 -73.9312 91.9664 -18.2139 -74.2196 PRESSAVG: 132000 50.3742 -79.6615 13.2 -79.6615 -23.2688 17.8456 13.2 17.8456 -6.1487 GPRESSAVG: 132000 51.6024 -82.1067 12.7575 -81.1996 -22.4948 16.554 14.7425 20.9963 -8.10182 TIMING: 132000 CPU: 383.944, 0.00289247/step Wall: 383.944, 0.00289247/step, 3.91127 hours remaining, 200.945312 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: 132000 744.8761 2100.1975 1968.2924 107.7462 -205670.0305 17595.0600 0.0000 0.0000 34086.2924 -149067.5658 297.6841 -183153.8582 -148965.2817 299.0163 -126.7452 -96.0810 557894.2247 6.9856 7.0019 PRESSURE: 132200 -144.024 -80.5479 -44.8485 -80.5479 55.3434 -16.0538 -44.8506 -16.0533 211.916 GPRESSURE: 132200 -138.819 -77.1923 -5.18179 -12.1977 114.547 -41.0325 -38.7661 95.0094 257.704 PRESSAVG: 132200 -7.71918 31.3849 8.90315 31.3849 59.914 -32.4308 8.90316 -32.4309 -44.4786 GPRESSAVG: 132200 -8.52238 33.7321 9.95159 30.6844 60.1126 -31.0093 7.3942 -34.5554 -44.1993 TIMING: 132200 CPU: 384.521, 0.00288382/step Wall: 384.521, 0.00288382/step, 3.89941 hours remaining, 200.945312 MB of memory in use. ENERGY: 132200 744.3780 2158.8762 1937.9634 117.6379 -206054.2544 17873.8744 0.0000 0.0000 34137.8513 -149083.6731 298.1343 -183221.5244 -148993.1944 298.4669 41.0785 77.8109 557112.2041 2.5721 2.4636 LDB: ============= START OF LOAD BALANCING ============== 387.987 LDB: ============== END OF LOAD BALANCING =============== 387.987 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 387.989 LDB: ============= START OF LOAD BALANCING ============== 388.28 LDB: Largest compute 4820 load 0.031020 is 26.4% of average load 0.117424 LDB: Average compute 0.001735 is 1.5% of average load 0.117424 LDB: TIME 388.282 LOAD: AVG 0.117424 MAX 0.179657 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.688 MB LDB: TIME 388.282 LOAD: AVG 0.117424 MAX 0.179657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.688 MB LDB: TIME 388.282 LOAD: AVG 0.117424 MAX 0.179657 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.688 MB LDB: ============== END OF LOAD BALANCING =============== 388.284 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 388.288 PRESSURE: 132400 -127.133 -89.0058 -4.58367 -89.0062 -356.642 45.6335 -4.58387 45.6319 -118.086 GPRESSURE: 132400 -136.189 -62.2592 -67.7602 -92.9898 -309.223 49.2294 6.00398 -26.963 -58.1396 PRESSAVG: 132400 -12.4201 3.02878 10.03 3.02866 26.9253 -9.91199 10.03 -9.91208 63.7273 GPRESSAVG: 132400 -12.5016 2.6482 8.45897 4.6889 27.2594 -10.0175 11.6173 -10.4824 63.422 TIMING: 132400 CPU: 385.113, 0.00296119/step Wall: 385.113, 0.00296119/step, 4.00386 hours remaining, 202.156250 MB of memory in use. ENERGY: 132400 789.5041 2057.1154 1963.0981 119.4366 -206067.5470 17566.9386 0.0000 0.0000 34351.2750 -149220.1792 299.9982 -183571.4542 -149119.3292 299.1621 -200.6204 -167.8504 556800.6504 26.0775 26.0599 PRESSURE: 132600 -216.958 -73.3769 -120.438 -73.3769 -206.003 3.19869 -120.436 3.19802 25.4816 GPRESSURE: 132600 -155.635 -71.6987 -83.876 -15.8339 -149.581 49.5316 -171.37 -104.842 -3.35976 PRESSAVG: 132600 -40.9412 22.2273 -7.43207 22.2273 30.9144 59.2044 -7.43201 59.2044 55.1 GPRESSAVG: 132600 -40.795 22.0288 -6.40167 24.4642 30.6144 58.4016 -7.0452 59.5422 55.1397 TIMING: 132600 CPU: 385.692, 0.00289677/step Wall: 385.692, 0.00289677/step, 3.9166 hours remaining, 202.359375 MB of memory in use. ENERGY: 132600 791.6169 2133.2462 1953.8396 126.2905 -205866.8306 17515.2568 0.0000 0.0000 34243.2640 -149103.3168 299.0549 -183346.5808 -149013.9301 299.9580 -132.4933 -102.8584 556705.2331 15.0244 14.9864 PRESSURE: 132800 -7.80662 127.07 -57.8794 127.07 -85.5138 -191.145 -57.8792 -191.145 158.912 GPRESSURE: 132800 23.0173 100.596 -37.8339 123.55 -81.98 -59.1644 -89.5152 -170.763 209.811 PRESSAVG: 132800 9.67962 25.9114 -80.5067 25.9115 -26.5503 -12.563 -80.5068 -12.5631 6.20022 GPRESSAVG: 132800 9.55174 27.7396 -80.7567 22.5023 -26.4566 -13.2508 -82.0902 -8.85349 6.14865 TIMING: 132800 CPU: 386.27, 0.00289001/step Wall: 386.27, 0.00289001/step, 3.90729 hours remaining, 202.359375 MB of memory in use. ENERGY: 132800 733.6566 2120.8764 1950.2160 111.1674 -206310.3762 17759.7313 0.0000 0.0000 34360.9476 -149273.7809 300.0827 -183634.7285 -149172.8215 299.3761 21.8640 50.2829 555839.5659 -3.5568 -3.5854 PRESSURE: 133000 228.123 -84.3098 100.892 -84.3088 68.2153 15.6394 100.892 15.6408 77.1755 GPRESSURE: 133000 228.938 -88.367 44.4548 -51.3716 98.4261 49.8085 90.8225 21.0291 145.516 PRESSAVG: 133000 -12.7528 30.4266 -36.0083 30.4266 37.1555 -58.7811 -36.0082 -58.7811 -23.5666 GPRESSAVG: 133000 -12.5514 28.7016 -35.1853 32.3793 35.3937 -58.5791 -36.0071 -61.2139 -22.6656 TIMING: 133000 CPU: 386.847, 0.00288521/step Wall: 386.847, 0.00288521/step, 3.90064 hours remaining, 202.359375 MB of memory in use. ENERGY: 133000 765.0959 2107.0745 1986.8367 109.0209 -206551.4483 18034.1346 0.0000 0.0000 34262.1613 -149287.1243 299.2200 -183549.2857 -149185.3494 299.5252 124.5045 157.6266 556200.7152 0.2787 0.0589 PRESSURE: 133200 -91.2972 63.7688 -80.6322 63.7686 -329.462 -45.5238 -80.633 -45.5243 -455.637 GPRESSURE: 133200 -57.5032 31.1124 -84.9119 155.304 -341.263 -87.6362 -97.6367 -17.5919 -380.416 PRESSAVG: 133200 -15.948 25.1687 -39.3493 25.1686 72.5293 -41.8966 -39.3493 -41.8968 -50.9336 GPRESSAVG: 133200 -16.7619 25.9153 -39.3472 24.6368 73.4413 -42.4656 -38.5133 -41.8149 -51.1785 TIMING: 133200 CPU: 387.425, 0.0028881/step Wall: 387.425, 0.0028881/step, 3.90439 hours remaining, 202.359375 MB of memory in use. ENERGY: 133200 763.1510 2089.6010 1965.4280 109.5711 -205696.3171 17392.1730 0.0000 0.0000 34194.5759 -149181.8171 298.6297 -183376.3930 -149078.4327 299.3434 -292.1321 -259.7275 558721.1535 1.8826 1.8336 PRESSURE: 133400 -40.6748 -55.7274 -93.1034 -55.7274 -30.1078 -112.856 -93.1037 -112.855 -269.071 GPRESSURE: 133400 -2.38458 -81.3449 -11.7972 -24.3697 -24.2148 -66.3611 -189.24 -81.7078 -228.227 PRESSAVG: 133400 -41.7281 35.1131 -73.0367 35.1131 7.3684 18.7841 -73.0367 18.7842 30.2852 GPRESSAVG: 133400 -40.9276 35.9054 -74.8359 34.5706 7.21227 19.8776 -71.8929 19.1317 29.4348 TIMING: 133400 CPU: 388.012, 0.00293268/step Wall: 388.012, 0.00293268/step, 3.9645 hours remaining, 202.359375 MB of memory in use. ENERGY: 133400 776.6079 2093.2338 1965.2283 118.2850 -206165.9914 17780.4670 0.0000 0.0000 34349.6385 -149082.5308 299.9839 -183432.1693 -148982.7732 299.5976 -113.2846 -84.9422 558031.3831 -1.3582 -1.4269 PRESSURE: 133600 -107.328 167.099 175.438 167.099 -50.8856 55.8996 175.439 55.8977 -22.5142 GPRESSURE: 133600 -84.0759 127.364 149.773 236.837 -10.7134 35.0994 232.709 97.8781 -1.76238 PRESSAVG: 133600 6.09401 -24.7714 17.4848 -24.7715 -7.40863 -31.1326 17.4848 -31.1325 -26.0164 GPRESSAVG: 133600 5.66683 -26.884 18.9706 -22.7939 -7.23171 -30.8246 17.6748 -31.3412 -25.6021 TIMING: 133600 CPU: 388.592, 0.00290307/step Wall: 388.592, 0.00290307/step, 3.92431 hours remaining, 202.359375 MB of memory in use. ENERGY: 133600 761.1073 2196.8200 2009.9412 116.6649 -205809.0255 17778.6885 0.0000 0.0000 34063.8449 -148881.9588 297.4880 -182945.8036 -148793.6109 299.9793 -60.2426 -32.1839 557798.1337 -9.1104 -9.0557 PRESSURE: 133800 -29.6196 -34.4783 179.707 -34.4789 118.462 41.8309 179.707 41.8323 -170.782 GPRESSURE: 133800 -11.1254 -33.3151 270.799 -53.9119 176.608 11.2622 158.923 -3.59538 -150.49 PRESSAVG: 133800 -16.1344 9.73674 47.1225 9.73682 103.418 -1.16703 47.1225 -1.16712 -113.753 GPRESSAVG: 133800 -15.6804 11.6163 45.9281 8.06662 102.323 -2.20491 45.3083 -0.611917 -112.965 TIMING: 133800 CPU: 389.176, 0.00292082/step Wall: 389.176, 0.00292082/step, 3.94813 hours remaining, 202.359375 MB of memory in use. ENERGY: 133800 775.7357 2098.5093 1985.7451 125.0945 -205568.1846 17475.9290 0.0000 0.0000 34318.9488 -148788.2222 299.7159 -183107.1710 -148688.6261 299.4339 -27.3130 4.9978 557879.1924 -8.8231 -8.7743 PRESSURE: 134000 -160.487 -50.3634 -57.2828 -50.3637 -324.079 143.403 -57.2808 143.403 -273.144 GPRESSURE: 134000 -130.657 32.3793 -94.6911 -22.6234 -273.806 166.99 9.27784 171.564 -257.637 PRESSAVG: 134000 61.8681 -13.9748 55.2109 -13.9748 59.3349 41.5583 55.2109 41.5585 -43.6858 GPRESSAVG: 134000 61.8821 -12.8892 56.0693 -13.0944 60.4709 42.0289 56.5476 41.1297 -44.917 TIMING: 134000 CPU: 389.76, 0.00291597/step Wall: 389.76, 0.00291597/step, 3.94141 hours remaining, 202.359375 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: 134000 747.7428 2116.7562 1968.0491 116.4887 -205418.6466 17288.8455 0.0000 0.0000 34322.8911 -148857.8731 299.7503 -183180.7643 -148763.1425 300.0375 -252.5698 -220.7001 558109.8671 25.8391 25.8120 PRESSURE: 134200 65.9992 99.6928 133.156 99.693 47.9105 7.21638 133.156 7.21628 70.8395 GPRESSURE: 134200 138.511 135.116 240.246 81.6384 64.4229 71.9321 56.029 -4.07749 67.8743 PRESSAVG: 134200 3.58688 7.7894 61.7089 7.78936 51.6308 63.5242 61.7088 63.5242 -53.3461 GPRESSAVG: 134200 2.80164 8.03476 62.7909 6.51247 52.305 64.1522 58.1898 63.943 -53.1515 TIMING: 134200 CPU: 390.344, 0.00292236/step Wall: 390.344, 0.00292236/step, 3.9499 hours remaining, 202.359375 MB of memory in use. ENERGY: 134200 760.2208 2137.6338 1968.3894 112.0125 -205837.8613 17738.9105 0.0000 0.0000 34310.2901 -148810.4042 299.6403 -183120.6943 -148709.6998 300.4785 61.5831 90.2696 556292.8129 0.6239 0.6517 PRESSURE: 134400 43.0971 -37.234 107.647 -37.2329 100.096 38.9833 107.648 38.9826 -34.2119 GPRESSURE: 134400 61.2162 18.5374 12.3057 -53.4075 116.363 -52.9574 132.056 85.6005 19.6385 PRESSAVG: 134400 24.4105 18.7935 93.2069 18.7935 46.9403 42.0526 93.2068 42.0527 -53.0855 GPRESSAVG: 134400 24.7909 17.1912 91.9186 20.0173 45.4882 41.3078 95.3891 42.2605 -52.1423 TIMING: 134400 CPU: 390.925, 0.00290368/step Wall: 390.925, 0.00290368/step, 3.92449 hours remaining, 202.359375 MB of memory in use. ENERGY: 134400 766.9643 2112.1718 1969.8303 119.7474 -206014.6293 17757.8119 0.0000 0.0000 34516.5196 -148771.5840 301.4414 -183288.1036 -148684.4284 300.2049 36.3270 65.7393 557588.9973 6.0885 6.0456 PRESSURE: 134600 119.944 86.7468 -48.8562 86.7477 108.354 229.819 -48.8575 229.818 -259.451 GPRESSURE: 134600 109.811 -31.0392 38.6243 182.731 125.46 184.882 -104.977 264.657 -180.747 PRESSAVG: 134600 1.64613 13.987 -31.2791 13.987 -2.77062 25.1857 -31.2791 25.1856 -13.1484 GPRESSAVG: 134600 1.51416 12.8972 -32.344 14.6027 -2.56605 24.9767 -32.5384 25.1613 -13.2117 TIMING: 134600 CPU: 391.506, 0.00290797/step Wall: 391.506, 0.00290797/step, 3.93012 hours remaining, 202.359375 MB of memory in use. ENERGY: 134600 756.2397 2072.7202 1952.5748 117.4557 -205514.8021 17706.2391 0.0000 0.0000 34198.3470 -148711.2257 298.6627 -182909.5726 -148616.2615 300.2875 -10.3845 18.1746 556849.5500 -4.7576 -4.7545 PRESSURE: 134800 -407.7 124.991 -210.918 124.993 -182.701 94.8444 -210.918 94.8446 -353.646 GPRESSURE: 134800 -335.745 159.949 -222.311 -4.55413 -227.293 28.1509 -170.676 83.4547 -293.471 PRESSAVG: 134800 -46.1872 25.6354 2.63844 25.6354 60.5087 11.814 2.63845 11.8141 -12.5151 GPRESSAVG: 134800 -46.4372 24.617 2.34722 23.2827 60.5779 10.9619 4.51626 12.3753 -12.4596 TIMING: 134800 CPU: 392.082, 0.00287708/step Wall: 392.082, 0.00287708/step, 3.88821 hours remaining, 202.359375 MB of memory in use. ENERGY: 134800 752.8442 2080.4380 1946.7576 114.9474 -205089.8390 17233.3791 0.0000 0.0000 34283.9072 -148677.5654 299.4099 -182961.4726 -148579.1351 300.3344 -314.6823 -285.5028 558719.3693 0.6021 0.5604 PRESSURE: 135000 -150.157 1.28 45.9973 1.28119 15.3322 28.862 45.9967 28.8647 -113.015 GPRESSURE: 135000 -139.522 12.8932 47.8338 -54.1298 26.4962 51.9971 28.5668 30.6855 -38.7056 PRESSAVG: 135000 -5.53108 -0.0683983 43.8916 -0.0682298 31.9226 -41.6129 43.8915 -41.6128 -33.466 GPRESSAVG: 135000 -5.88696 1.71494 47.2884 1.64994 31.4821 -40.8022 41.6985 -42.2445 -32.5839 TIMING: 135000 CPU: 392.656, 0.00287123/step Wall: 392.656, 0.00287123/step, 3.88015 hours remaining, 202.359375 MB of memory in use. ENERGY: 135000 771.1698 2059.4232 1968.8815 112.2955 -205734.0345 17689.7371 0.0000 0.0000 34479.7084 -148652.8190 301.1199 -183132.5275 -148563.8221 300.9470 -82.6134 -50.5770 556853.7084 -2.3582 -2.3296 PRESSURE: 135200 -56.8355 40.7172 -12.5931 40.7179 46.6129 145.302 -12.5926 145.3 -131.663 GPRESSURE: 135200 -29.3392 58.7599 17.4695 14.7416 75.8186 101.318 -49.9054 70.1908 -98.9082 PRESSAVG: 135200 43.6383 -33.5779 35.5763 -33.5779 -32.6969 10.2899 35.5763 10.2899 10.2978 GPRESSAVG: 135200 44.9026 -33.154 34.9345 -33.0944 -33.1217 12.1255 36.7173 8.38151 9.2637 TIMING: 135200 CPU: 393.242, 0.00292794/step Wall: 393.242, 0.00292794/step, 3.95662 hours remaining, 202.359375 MB of memory in use. ENERGY: 135200 742.8654 2067.7281 1982.5007 108.7653 -205637.7962 17687.1897 0.0000 0.0000 34426.1933 -148622.5538 300.6525 -183048.7471 -148524.4535 300.3442 -47.2952 -17.4762 556876.7305 7.0797 7.0148 PRESSURE: 135400 265.315 -10.2954 -106.083 -10.2954 -229.124 -93.1664 -106.081 -93.1673 -142.285 GPRESSURE: 135400 279.028 29.4481 -70.369 -46.7544 -185.179 -11.2582 -50.8857 -115.192 -103.217 PRESSAVG: 135400 63.6097 0.251103 -0.223819 0.251027 -44.5972 18.8718 -0.223827 18.8719 -18.2008 GPRESSAVG: 135400 64.4358 0.962043 0.145923 -4.55317 -44.6963 15.6607 -0.227031 22.1864 -19.0026 TIMING: 135400 CPU: 393.823, 0.00290736/step Wall: 393.823, 0.00290736/step, 3.92865 hours remaining, 202.359375 MB of memory in use. ENERGY: 135400 719.5664 2146.8319 1962.0981 98.3275 -205846.2393 17727.9753 0.0000 0.0000 34385.1987 -148806.2414 300.2945 -183191.4402 -148704.6123 300.7126 -35.3645 -3.1227 558622.1551 0.2706 0.2457 PRESSURE: 135600 218.472 -106.618 10.5091 -106.619 -271.191 29.502 10.5094 29.5017 144.4 GPRESSURE: 135600 230.977 -110.111 -1.67887 -42.9642 -214.568 29.5936 -17.4068 14.6954 175.192 PRESSAVG: 135600 57.0946 -51.0675 -15.2562 -51.0676 -1.37358 -26.6325 -15.2562 -26.6325 -82.8192 GPRESSAVG: 135600 55.3324 -52.3148 -16.248 -44.8862 -0.904903 -24.5203 -15.8844 -26.9283 -81.4597 TIMING: 135600 CPU: 394.407, 0.00292169/step Wall: 394.407, 0.00292169/step, 3.94785 hours remaining, 202.359375 MB of memory in use. ENERGY: 135600 729.7094 2135.5402 1942.4780 115.7197 -205820.7581 17831.5376 0.0000 0.0000 34314.6818 -148751.0913 299.6787 -183065.7730 -148658.4124 300.0373 30.5606 63.8668 558254.7064 -9.0327 -9.0107 PRESSURE: 135800 -139.113 -111.71 16.7991 -111.709 -310.325 -92.2838 16.7984 -92.2834 65.3443 GPRESSURE: 135800 -70.5492 -106.273 23.7597 -82.8499 -258.3 -116.529 19.2553 -78.3721 27.6107 PRESSAVG: 135800 -1.51713 -26.0425 4.47188 -26.0426 21.9614 20.5325 4.4719 20.5325 12.9125 GPRESSAVG: 135800 -0.892375 -25.2301 3.49776 -28.1855 22.3281 20.6823 4.90423 20.0337 11.3003 TIMING: 135800 CPU: 394.992, 0.00292406/step Wall: 394.992, 0.00292406/step, 3.95089 hours remaining, 202.359375 MB of memory in use. ENERGY: 135800 722.0558 2102.1762 2005.1152 99.0950 -205613.0904 17593.5221 0.0000 0.0000 34495.2449 -148595.8812 301.2556 -183091.1261 -148500.0939 300.4428 -128.0312 -100.4129 560262.0744 11.1189 10.9120 PRESSURE: 136000 -403.312 88.5953 -95.4804 88.5934 -241.3 137.233 -95.4799 137.233 -292.163 GPRESSURE: 136000 -364.657 108.011 -86.0665 137.013 -189.284 139.335 -119.725 118.46 -290.98 PRESSAVG: 136000 61.5597 -17.6356 -32.342 -17.6355 4.87876 33.0751 -32.342 33.0752 -20.4711 GPRESSAVG: 136000 62.4689 -15.8281 -31.9327 -19.3809 3.80377 33.2848 -33.046 31.3997 -19.4867 TIMING: 136000 CPU: 395.574, 0.00290694/step Wall: 395.574, 0.00290694/step, 3.9276 hours remaining, 202.359375 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: 136000 752.6562 2093.0406 1983.4260 104.0302 -205600.2853 17500.6315 0.0000 0.0000 34252.9078 -148913.5930 299.1392 -183166.5008 -148806.0203 299.9709 -312.2585 -281.6402 560242.3517 15.3224 15.5953 PRESSURE: 136200 43.3639 87.7059 12.1657 87.7055 -36.019 -150.193 12.1646 -150.193 126.658 GPRESSURE: 136200 114.556 32.4688 -46.3148 52.1677 -39.4559 -152.511 -14.0262 -123.826 149.134 PRESSAVG: 136200 17.9173 -17.3313 18.0073 -17.3313 -34.3628 -33.1254 18.0072 -33.1255 -32.2063 GPRESSAVG: 136200 17.5692 -17.7095 17.0421 -18.0799 -33.0625 -34.9226 18.093 -30.9279 -33.2213 TIMING: 136200 CPU: 396.157, 0.0029145/step Wall: 396.157, 0.0029145/step, 3.93764 hours remaining, 202.359375 MB of memory in use. ENERGY: 136200 718.6301 2123.1255 1964.4922 116.2842 -205772.5217 17847.9248 0.0000 0.0000 34198.9997 -148803.0652 298.6684 -183002.0649 -148709.0339 299.7955 44.6677 74.7449 561057.5549 -16.2173 -16.2382 LDB: ============= START OF LOAD BALANCING ============== 399.624 LDB: ============== END OF LOAD BALANCING =============== 399.624 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 399.626 LDB: ============= START OF LOAD BALANCING ============== 399.917 LDB: Largest compute 4820 load 0.031434 is 26.8% of average load 0.117386 LDB: Average compute 0.001734 is 1.5% of average load 0.117386 LDB: TIME 399.92 LOAD: AVG 0.117386 MAX 0.176794 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.348 MB LDB: TIME 399.92 LOAD: AVG 0.117386 MAX 0.176794 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.445 MB LDB: TIME 399.921 LOAD: AVG 0.117386 MAX 0.176794 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.445 MB LDB: ============== END OF LOAD BALANCING =============== 399.923 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 399.926 PRESSURE: 136400 -303.934 45.1597 -192.96 45.1593 48.1382 52.2768 -192.96 52.2751 -170.28 GPRESSURE: 136400 -315.964 8.60835 -186.253 129.173 102.372 76.1026 -186.636 60.5945 -106.546 PRESSAVG: 136400 20.0472 -28.0478 -2.46498 -28.0478 28.3003 22.0914 -2.46486 22.0914 -35.0495 GPRESSAVG: 136400 19.3866 -28.63 1.23848 -26.6618 27.9167 26.3046 -4.46354 18.882 -34.2176 TIMING: 136400 CPU: 396.751, 0.00297206/step Wall: 396.751, 0.00297206/step, 4.01526 hours remaining, 200.671875 MB of memory in use. ENERGY: 136400 747.1019 2089.8365 1976.7911 127.2693 -205770.0592 17606.1428 0.0000 0.0000 34290.3520 -148932.5657 299.4662 -183222.9176 -148832.3840 299.7103 -142.0251 -106.7125 559395.2888 4.4327 4.3619 PRESSURE: 136600 -36.8531 4.72282 -66.3827 4.72243 39.509 278.652 -66.3831 278.653 -1.76715 GPRESSURE: 136600 -0.167645 -54.0529 -54.5485 5.99537 96.0109 266.288 -134.216 282.054 9.14487 PRESSAVG: 136600 -23.9263 36.4722 4.44763 36.4721 51.0618 32.799 4.44764 32.799 31.1034 GPRESSAVG: 136600 -22.7243 34.0143 4.2075 39.9212 49.9391 30.5374 6.71412 32.8309 31.1934 TIMING: 136600 CPU: 397.333, 0.00291011/step Wall: 397.333, 0.00291011/step, 3.9314 hours remaining, 200.742188 MB of memory in use. ENERGY: 136600 728.3828 2086.3562 1995.7585 111.3728 -205908.1925 17730.8041 0.0000 0.0000 34362.0208 -148893.4973 300.0921 -183255.5181 -148792.2569 299.9504 0.2963 34.9960 558101.2189 19.4129 19.4694 PRESSURE: 136800 -254.337 -66.6967 -142.336 -66.6963 101.059 -60.9335 -142.337 -60.933 -314.896 GPRESSURE: 136800 -269.932 -89.3417 -38.1921 -121.506 158.279 -118.261 -136.994 -45.7426 -260.316 PRESSAVG: 136800 21.4983 -13.8243 9.00191 -13.8243 30.2913 14.388 9.00193 14.388 -17.8096 GPRESSAVG: 136800 21.4322 -11.6665 7.63272 -17.6956 31.3628 14.1784 9.75166 15.8039 -18.8928 TIMING: 136800 CPU: 397.913, 0.00290002/step Wall: 397.913, 0.00290002/step, 3.91761 hours remaining, 200.742188 MB of memory in use. ENERGY: 136800 722.6553 2108.7772 1956.3130 123.1712 -205842.1280 17561.1513 0.0000 0.0000 34367.1985 -149002.8615 300.1373 -183370.0600 -148909.9362 299.4926 -156.0576 -123.9896 557173.5547 11.3267 11.3008 PRESSURE: 137000 -19.8273 12.2474 173.014 12.2452 173.56 54.5061 173.014 54.5036 107.945 GPRESSURE: 137000 -19.0053 5.3921 224.078 9.1369 211.625 60.0307 119.642 -15.503 171.286 PRESSAVG: 137000 -34.3646 -12.4768 56.957 -12.4767 -16.8665 10.1553 56.9569 10.1552 48.9905 GPRESSAVG: 137000 -34.3071 -11.0359 55.9629 -12.3962 -17.6132 8.22471 56.2233 10.1506 49.7526 TIMING: 137000 CPU: 398.495, 0.00290815/step Wall: 398.495, 0.00290815/step, 3.92842 hours remaining, 200.742188 MB of memory in use. ENERGY: 137000 720.1977 2058.7034 1961.0045 120.3349 -205760.9103 17716.9143 0.0000 0.0000 34017.9179 -149165.8375 297.0869 -183183.7554 -149067.9528 299.2643 87.2259 121.3019 556009.4509 -0.7469 -0.7226 PRESSURE: 137200 183.197 111.47 137.165 111.472 218.756 -129.8 137.165 -129.8 182.302 GPRESSURE: 137200 238.905 131.073 109.915 179.435 285.169 -96.8428 196.881 -135.415 154.772 PRESSAVG: 137200 10.3381 13.0277 69.0705 13.0277 13.1278 10.6773 69.0706 10.6774 12.8088 GPRESSAVG: 137200 10.9546 13.4742 69.0705 12.4567 13.6681 11.7 69.2837 11.9005 12.1643 TIMING: 137200 CPU: 399.078, 0.00291689/step Wall: 399.078, 0.00291689/step, 3.94007 hours remaining, 200.742188 MB of memory in use. ENERGY: 137200 677.5880 2058.1261 1959.9464 107.2728 -206244.1636 18041.5825 0.0000 0.0000 34173.4248 -149226.2230 298.4450 -183399.6477 -149128.8750 299.2268 194.7517 226.2819 557452.1933 12.0915 12.2624 PRESSURE: 137400 95.2643 124.723 -102.491 124.724 207.374 -70.0266 -102.489 -70.0256 284.33 GPRESSURE: 137400 134.849 90.1472 -149.493 50.9706 233.614 -47.8579 -114.457 -19.6358 309.173 PRESSAVG: 137400 44.8836 -9.88789 15.0933 -9.88794 -46.6946 -2.48906 15.0933 -2.489 30.2114 GPRESSAVG: 137400 43.2835 -10.6 17.1215 -8.22925 -46.8181 -1.17282 13.6347 -5.51388 31.598 TIMING: 137400 CPU: 399.658, 0.00290054/step Wall: 399.658, 0.00290054/step, 3.91782 hours remaining, 200.742188 MB of memory in use. ENERGY: 137400 754.9085 2073.9000 1953.7949 105.0421 -206111.5602 17962.4340 0.0000 0.0000 34148.8015 -149112.6792 298.2300 -183261.4807 -149018.5449 298.8861 195.6561 225.8786 557179.7290 9.4668 9.3545 PRESSURE: 137600 294.671 89.4094 -66.2937 89.4084 -193.673 -35.7018 -66.2939 -35.7005 150.2 GPRESSURE: 137600 266.961 96.2869 -75.8226 71.2585 -128.944 -80.3519 -131.322 -1.75776 211.105 PRESSAVG: 137600 -36.0778 -41.052 -28.1546 -41.052 -9.17712 28.1549 -28.1546 28.1549 58.1868 GPRESSAVG: 137600 -35.2762 -42.1488 -31.7157 -40.8569 -8.025 26.3253 -26.3607 31.1368 56.6731 TIMING: 137600 CPU: 400.238, 0.00289993/step Wall: 400.238, 0.00289993/step, 3.91684 hours remaining, 200.742188 MB of memory in use. ENERGY: 137600 746.6244 2025.8672 1991.6604 112.8846 -206326.1505 17986.1451 0.0000 0.0000 34180.1404 -149282.8283 298.5037 -183462.9687 -149179.9408 298.6465 83.7326 116.3739 556154.2593 4.3106 4.4573 PRESSURE: 137800 -27.5187 -147.576 -67.8997 -147.577 -105.943 0.408379 -67.8996 0.407588 73.6502 GPRESSURE: 137800 38.6841 -189.964 -77.8905 -82.1166 -28.2073 -4.19554 -28.9067 74.521 32.5144 PRESSAVG: 137800 21.4393 -26.2787 18.3025 -26.2787 -62.8538 -23.4467 18.3025 -23.4466 68.3321 GPRESSAVG: 137800 21.3329 -28.1095 20.8834 -24.082 -63.746 -23.2406 17.4648 -25.0969 68.9186 TIMING: 137800 CPU: 400.816, 0.00288763/step Wall: 400.816, 0.00288763/step, 3.90006 hours remaining, 200.742188 MB of memory in use. ENERGY: 137800 738.9268 2077.5852 1981.1171 113.9419 -206422.1126 17829.8982 0.0000 0.0000 34254.5236 -149426.1198 299.1533 -183680.6434 -149328.7570 298.9831 -19.9371 14.3304 557140.1477 8.9725 8.8352 PRESSURE: 138000 -223.677 61.9664 23.7588 61.9664 102.736 -34.9043 23.7594 -34.9057 -97.2817 GPRESSURE: 138000 -176.007 27.2524 37.3142 52.4818 125.03 -120.002 8.89333 -65.6616 -71.1659 PRESSAVG: 138000 0.0308838 -48.6101 -22.9755 -48.6101 19.3383 -5.79309 -22.9755 -5.79316 0.561861 GPRESSAVG: 138000 -0.0927704 -46.1756 -24.7253 -50.098 19.3444 -4.28274 -23.1132 -5.83496 0.41436 TIMING: 138000 CPU: 401.392, 0.00288058/step Wall: 401.392, 0.00288058/step, 3.89038 hours remaining, 200.742188 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: 138000 738.7555 2029.5884 1987.9552 112.8017 -206340.1309 17751.2916 0.0000 0.0000 34230.8920 -149488.8466 298.9469 -183719.7386 -149394.7949 298.3043 -72.7409 -40.7145 557873.9325 6.6437 6.5553 PRESSURE: 138200 228.309 -228.062 -316.544 -228.061 -208.434 32.6815 -316.543 32.6819 56.8026 GPRESSURE: 138200 267.401 -258.515 -289.568 -159.306 -178.315 163.566 -260.127 3.11944 77.2382 PRESSAVG: 138200 9.326 -15.4138 23.8452 -15.4137 -26.1564 -14.4295 23.8452 -14.4295 17.1312 GPRESSAVG: 138200 8.82943 -16.5363 25.2968 -16.2492 -27.0629 -15.286 23.4319 -14.2527 17.8623 TIMING: 138200 CPU: 401.968, 0.00288257/step Wall: 401.968, 0.00288257/step, 3.89292 hours remaining, 200.742188 MB of memory in use. ENERGY: 138200 699.3944 2146.8260 1986.2185 111.1280 -206111.1482 17929.4090 0.0000 0.0000 33863.0612 -149375.1110 295.7345 -183238.1723 -149289.8481 298.3441 25.5592 55.4414 559212.7894 0.1003 -0.1237 PRESSURE: 138400 97.3252 -125.781 -28.9703 -125.782 86.0873 139 -28.9699 139.002 -35.5612 GPRESSURE: 138400 113.237 -50.4847 -138.138 -121.606 102.556 90.9015 26.6574 79.5145 30.9963 PRESSAVG: 138400 -6.33664 -3.87041 -61.7819 -3.87039 -43.1287 29.1711 -61.7818 29.1712 1.9748 GPRESSAVG: 138400 -6.97313 -3.84952 -62.5993 -3.64309 -43.111 28.3474 -59.1792 31.4383 2.43006 TIMING: 138400 CPU: 402.549, 0.00290211/step Wall: 402.549, 0.00290211/step, 3.91914 hours remaining, 200.742188 MB of memory in use. ENERGY: 138400 728.6496 2050.9160 1959.2351 111.8408 -206661.2929 18088.6657 0.0000 0.0000 34292.8340 -149429.1516 299.4878 -183721.9856 -149328.2340 298.5808 49.2838 82.2632 557241.5831 -15.8302 -15.8847 PRESSURE: 138600 96.0162 -204.33 150.465 -204.332 238.655 -189.856 150.464 -189.856 72.2573 GPRESSURE: 138600 88.392 -128.475 177.571 -203.804 286.333 -211.804 102.362 -183.376 132.961 PRESSAVG: 138600 -21.0562 -9.48139 1.99067 -9.4812 -13.5205 48.821 1.99063 48.8211 43.9262 GPRESSAVG: 138600 -20.8218 -6.91046 3.54541 -10.384 -12.6508 47.1649 0.484171 47.5055 43.0594 TIMING: 138600 CPU: 403.136, 0.00293696/step Wall: 403.136, 0.00293696/step, 3.96604 hours remaining, 200.742188 MB of memory in use. ENERGY: 138600 746.1966 2075.7144 1966.7448 110.5223 -206371.6692 17944.4207 0.0000 0.0000 34109.2863 -149418.7841 297.8849 -183528.0703 -149321.9632 298.2702 135.6427 169.2288 556868.2545 3.1165 3.1956 PRESSURE: 138800 -13.8918 67.7055 300.133 67.705 -234.948 48.2845 300.133 48.2841 196.103 GPRESSURE: 138800 49.0807 40.0554 366.797 26.9803 -132.355 -1.00002 269.033 26.9728 134.648 PRESSAVG: 138800 -63.9088 13.589 14.5114 13.589 56.5897 5.94364 14.5113 5.94375 -8.91416 GPRESSAVG: 138800 -63.5816 10.0076 14.8433 15.6501 55.6984 8.02073 15.1565 4.96797 -9.21699 TIMING: 138800 CPU: 403.718, 0.00290889/step Wall: 403.718, 0.00290889/step, 3.92798 hours remaining, 200.742188 MB of memory in use. ENERGY: 138800 727.2069 2144.9879 1958.9822 111.3078 -206265.6415 17767.9347 0.0000 0.0000 34148.3181 -149406.9039 298.2258 -183555.2220 -149317.1246 298.1928 -17.5789 17.1247 558069.0970 -5.4111 -5.7001 PRESSURE: 139000 72.9567 -3.4244 71.9417 -3.42503 146.882 -217.401 71.9424 -217.4 -191.107 GPRESSURE: 139000 71.0558 33.3368 17.6943 -2.51313 170.001 -162.149 104.924 -265.22 -123.865 PRESSAVG: 139000 0.936256 6.94674 13.3435 6.94676 8.66492 27.0513 13.3436 27.0512 -4.99589 GPRESSAVG: 139000 0.0863067 9.14006 13.0205 4.46832 8.39401 26.1354 13.2303 26.1494 -4.20948 TIMING: 139000 CPU: 404.302, 0.00291981/step Wall: 404.302, 0.00291981/step, 3.94256 hours remaining, 200.742188 MB of memory in use. ENERGY: 139000 733.5746 2122.2890 1955.5339 129.1461 -206215.6865 17726.4613 0.0000 0.0000 34136.4784 -149412.2032 298.1224 -183548.6815 -149314.3676 298.2610 9.5773 39.0640 556808.7399 1.5351 1.4236 PRESSURE: 139200 59.9315 -121.683 -73.6064 -121.682 209.61 -31.4198 -73.6058 -31.421 87.1997 GPRESSURE: 139200 67.1896 -101.22 -104.137 -76.5352 225.224 -13.611 -118.781 -6.90953 166.974 PRESSAVG: 139200 3.26349 -66.3205 46.3785 -66.3205 -17.4011 57.0679 46.3785 57.0679 3.55965 GPRESSAVG: 139200 3.64061 -65.7459 45.8595 -65.1451 -17.2226 57.5014 44.5596 56.8204 2.83183 TIMING: 139200 CPU: 404.884, 0.00291267/step Wall: 404.884, 0.00291267/step, 3.93275 hours remaining, 200.742188 MB of memory in use. ENERGY: 139200 727.6353 2057.0468 1969.5845 107.1274 -206497.4177 18001.4286 0.0000 0.0000 34148.4979 -149486.0972 298.2273 -183634.5951 -149391.5331 298.2986 118.9137 153.1291 556698.8947 -3.5260 -3.5834 PRESSURE: 139400 -330.175 57.9872 87.0079 57.9867 17.0066 -62.7788 87.0077 -62.7792 28.77 GPRESSURE: 139400 -253.076 43.3972 108.942 23.84 7.18166 -120.817 126.095 4.59983 54.5399 PRESSAVG: 139400 -6.66277 52.599 50.9461 52.599 -10.3926 25.0115 50.9461 25.0116 4.73094 GPRESSAVG: 139400 -6.19992 50.4279 51.1316 52.7431 -10.2878 24.7947 51.8892 26.185 4.49699 TIMING: 139400 CPU: 405.46, 0.00287909/step Wall: 405.46, 0.00287909/step, 3.88725 hours remaining, 200.742188 MB of memory in use. ENERGY: 139400 756.7115 2056.9788 1979.7713 111.4676 -206329.9264 17923.6545 0.0000 0.0000 34139.3520 -149361.9907 298.1475 -183501.3427 -149268.2126 298.1786 -94.7993 -63.7847 556951.2340 -4.1081 -3.9969 PRESSURE: 139600 119.15 -68.2853 23.8327 -68.2856 72.7026 33.1788 23.8319 33.1789 -75.1126 GPRESSURE: 139600 128.702 -49.6668 -8.79698 53.7899 127.7 49.97 62.3932 9.13798 -54.3073 PRESSAVG: 139600 -0.351021 37.8763 -25.3592 37.8764 27.5855 4.97066 -25.3592 4.97085 4.50174 GPRESSAVG: 139600 -2.04942 40.5187 -23.9948 37.4165 27.5538 5.69988 -24.1326 4.99256 5.94075 TIMING: 139600 CPU: 406.039, 0.00289184/step Wall: 406.039, 0.00289184/step, 3.90431 hours remaining, 200.742188 MB of memory in use. ENERGY: 139600 761.9541 2113.9265 1963.5341 121.0065 -206604.9993 18004.9280 0.0000 0.0000 34234.0348 -149405.6152 298.9743 -183639.6500 -149301.0030 298.6507 38.9134 67.3649 555930.7505 10.5787 10.4817 PRESSURE: 139800 -53.1565 17.5819 122.96 17.5822 21.7683 104.656 122.96 104.655 -31.9819 GPRESSURE: 139800 -53.267 -28.3421 63.5579 70.3762 23.2043 42.8509 189.179 174.029 57.4791 PRESSAVG: 139800 70.4768 33.1128 -18.8102 33.1129 -49.6507 -13.3784 -18.8102 -13.3783 -53.5793 GPRESSAVG: 139800 70.8518 33.3513 -19.8878 34.6305 -49.3998 -12.714 -19.2409 -14.4563 -54.1553 TIMING: 139800 CPU: 406.617, 0.00289375/step Wall: 406.617, 0.00289375/step, 3.90673 hours remaining, 200.742188 MB of memory in use. ENERGY: 139800 740.3225 2062.0469 1976.4348 112.7951 -206150.6563 17638.1971 0.0000 0.0000 34102.1582 -149518.7016 297.8226 -183620.8599 -149416.8100 298.3553 -21.1234 9.1388 556505.8667 -10.9178 -10.9011 PRESSURE: 140000 27.5399 51.7714 -156.126 51.7713 185.171 76.2307 -156.126 76.2312 -138.439 GPRESSURE: 140000 63.0635 24.9362 -206.93 51.5193 196.754 109.477 -146.323 52.5629 -75.7551 PRESSAVG: 140000 24.4708 42.2929 22.4967 42.2929 77.9284 17.8537 22.4968 17.8536 -30.5235 GPRESSAVG: 140000 26.2532 41.0566 20.7561 39.7159 76.7171 16.8163 22.3316 18.8432 -30.5868 TIMING: 140000 CPU: 407.201, 0.00291679/step Wall: 407.201, 0.00291679/step, 3.93767 hours remaining, 200.742188 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: 140000 768.7187 2131.2582 1955.9745 107.6912 -206583.3692 17949.5904 0.0000 0.0000 34171.9433 -149498.1929 298.4321 -183670.1362 -149397.7109 298.3428 24.7574 61.3540 555682.7313 23.9586 24.1278 PRESSURE: 140200 331.083 126.281 42.6658 126.282 -175.628 -43.52 42.6653 -43.5196 138.835 GPRESSURE: 140200 343.364 99.0725 19.3352 161.194 -162.551 -57.6116 60.4322 -69.6473 204.826 PRESSAVG: 140200 26.2512 12.564 24.9752 12.564 37.8897 31.8171 24.9753 31.8171 -53.471 GPRESSAVG: 140200 25.7143 12.2513 26.939 12.9021 39.1937 31.6867 23.5572 32.7947 -54.1598 TIMING: 140200 CPU: 407.779, 0.00289099/step Wall: 407.779, 0.00289099/step, 3.90267 hours remaining, 200.742188 MB of memory in use. ENERGY: 140200 708.7737 2119.1831 1953.0669 112.7241 -206093.4416 17783.5900 0.0000 0.0000 34084.0577 -149332.0461 297.6646 -183416.1038 -149233.6137 298.3747 98.0969 128.5465 555693.1731 3.5567 3.5827 LDB: ============= START OF LOAD BALANCING ============== 411.246 LDB: ============== END OF LOAD BALANCING =============== 411.247 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 411.248 LDB: ============= START OF LOAD BALANCING ============== 411.542 LDB: Largest compute 4820 load 0.030586 is 26.1% of average load 0.117365 LDB: Average compute 0.001730 is 1.5% of average load 0.117365 LDB: TIME 411.544 LOAD: AVG 0.117365 MAX 0.177254 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.148 MB LDB: TIME 411.545 LOAD: AVG 0.117365 MAX 0.177254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.352 MB LDB: TIME 411.545 LOAD: AVG 0.117365 MAX 0.177254 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 411.547 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 411.551 PRESSURE: 140400 -112.506 143.632 50.7448 143.632 126.544 12.0077 50.7448 12.007 -143.042 GPRESSURE: 140400 -67.741 52.2497 2.85062 155.97 142.313 96.2353 -29.5026 -2.54114 -106.959 PRESSAVG: 140400 13.0033 2.75903 -0.28581 2.75901 73.8731 11.884 -0.285765 11.884 -44.6861 GPRESSAVG: 140400 12.5068 2.27706 -2.0821 4.24659 73.3489 11.3388 0.755014 11.2015 -43.5659 TIMING: 140400 CPU: 408.376, 0.00298363/step Wall: 408.376, 0.00298363/step, 4.02757 hours remaining, 202.609375 MB of memory in use. ENERGY: 140400 728.9891 2137.8333 1954.3039 111.6000 -206200.1029 17735.7211 0.0000 0.0000 34129.1725 -149402.4831 298.0586 -183531.6557 -149302.6460 298.0037 -43.0012 -10.7955 558184.2757 14.0634 14.0966 PRESSURE: 140600 -69.8866 -65.7593 34.3682 -65.7591 -238.745 -97.6644 34.3698 -97.6658 -40.4625 GPRESSURE: 140600 -16.3097 35.145 57.3269 -77.7238 -175.732 0.177523 37.2772 -100.558 -57.4641 PRESSAVG: 140600 -27.0676 70.8233 -15.4942 70.8234 56.8117 16.292 -15.4942 16.2921 -19.6286 GPRESSAVG: 140600 -27.314 70.6864 -15.6395 71.2819 55.9783 16.9501 -13.4353 14.9948 -18.6488 TIMING: 140600 CPU: 408.954, 0.00289077/step Wall: 408.954, 0.00289077/step, 3.90206 hours remaining, 202.679688 MB of memory in use. ENERGY: 140600 754.7498 2105.3970 1970.9787 99.9437 -206486.9455 17801.6239 0.0000 0.0000 34423.2110 -149331.0415 300.6265 -183754.2525 -149230.5965 299.3264 -116.3646 -83.1687 557417.8443 3.3719 3.3385 PRESSURE: 140800 362.45 -14.1133 -22.5646 -14.1122 -4.6578 134.056 -22.5645 134.056 36.1797 GPRESSURE: 140800 349.389 -60.9241 17.8372 18.0046 40.5289 180.59 -12.4957 166.569 98.9336 PRESSAVG: 140800 49.0187 -43.0975 24.155 -43.0975 13.2408 78.4351 24.155 78.4353 -57.8199 GPRESSAVG: 140800 49.2323 -42.7756 25.658 -44.1014 13.3806 77.4294 20.2826 79.6073 -58.8234 TIMING: 140800 CPU: 409.535, 0.00290664/step Wall: 409.535, 0.00290664/step, 3.92332 hours remaining, 202.679688 MB of memory in use. ENERGY: 140800 733.2774 2132.2034 1979.8746 109.7045 -206547.6909 17960.0183 0.0000 0.0000 34284.6456 -149347.9670 299.4163 -183632.6126 -149250.4593 298.7209 131.3239 162.9506 555824.4649 1.4799 1.2632 PRESSURE: 141000 -60.9713 15.6867 16.6778 15.6877 -74.9714 -104.803 16.678 -104.803 66.9441 GPRESSURE: 141000 16.3632 -2.25587 19.2087 46.3445 -75.0704 -74.9701 -59.2673 -37.7584 85.937 PRESSAVG: 141000 -18.8259 -10.8511 -2.50107 -10.8511 8.71938 8.55923 -2.50108 8.55923 18.924 GPRESSAVG: 141000 -18.4871 -8.97547 -2.3205 -11.9743 9.08728 9.07653 -3.1868 9.64449 18.1166 TIMING: 141000 CPU: 410.116, 0.002903/step Wall: 410.116, 0.002903/step, 3.91825 hours remaining, 202.679688 MB of memory in use. ENERGY: 141000 738.1168 2094.7943 1972.8839 119.7825 -206436.8791 17853.6439 0.0000 0.0000 34202.6277 -149455.0301 298.7001 -183657.6578 -149362.9547 298.9596 -22.9995 9.0766 554951.8517 2.9392 2.9056 PRESSURE: 141200 110.242 64.0437 97.815 64.0433 25.6342 -34.515 97.8157 -34.5152 74.0058 GPRESSURE: 141200 83.9335 37.9129 69.6682 125.561 64.7719 11.4749 74.6934 -89.6932 155.818 PRESSAVG: 141200 36.3689 24.4558 1.01749 24.4558 24.8488 32.8536 1.01743 32.8538 -32.7558 GPRESSAVG: 141200 36.226 21.31 0.485399 24.8417 24.4309 34.0613 2.24144 29.7196 -31.9975 TIMING: 141200 CPU: 410.694, 0.0028911/step Wall: 410.694, 0.0028911/step, 3.90203 hours remaining, 202.679688 MB of memory in use. ENERGY: 141200 735.7609 2104.3971 1975.8682 122.3120 -206704.2887 18010.1114 0.0000 0.0000 34388.8536 -149366.9854 300.3264 -183755.8390 -149273.7148 299.1382 69.9606 101.5078 555096.2556 9.4873 9.5531 PRESSURE: 141400 -47.1457 -81.3796 -146.783 -81.3802 -211.676 -132.96 -146.782 -132.96 -139.692 GPRESSURE: 141400 -57.0098 -54.0789 -150.338 -41.7526 -103.339 -103.034 -147.04 -140.471 -144.913 PRESSAVG: 141400 8.70389 3.8403 39.8492 3.8403 44.953 16.3136 39.8491 16.3135 -38.187 GPRESSAVG: 141400 9.01283 4.74543 40.5047 5.84692 45.518 16.0025 40.2435 19.0191 -39.0243 TIMING: 141400 CPU: 411.276, 0.00291188/step Wall: 411.276, 0.00291188/step, 3.9299 hours remaining, 202.679688 MB of memory in use. ENERGY: 141400 794.8932 2118.9282 1958.4248 112.7984 -206334.7357 17639.9715 0.0000 0.0000 34324.1549 -149385.5649 299.7614 -183709.7197 -149289.4953 299.3870 -132.8377 -101.7540 556389.2824 5.1566 5.1689 PRESSURE: 141600 131.127 92.8752 80.7429 92.8755 180.981 110.468 80.7439 110.467 262.213 GPRESSURE: 141600 191.463 160.478 36.9729 40.9457 253.726 84.405 63.454 101.351 231.139 PRESSAVG: 141600 9.466 41.2819 37.8186 41.2818 23.2998 1.60937 37.8186 1.60928 -31.2881 GPRESSAVG: 141600 9.56439 41.0338 35.7753 40.5176 23.4528 0.629934 37.163 0.591246 -31.1622 TIMING: 141600 CPU: 411.855, 0.00289538/step Wall: 411.855, 0.00289538/step, 3.90748 hours remaining, 202.679688 MB of memory in use. ENERGY: 141600 703.1970 2194.3405 1967.5476 103.7064 -207196.6060 18356.6915 0.0000 0.0000 34459.0420 -149412.0809 300.9394 -183871.1229 -149317.8858 299.4502 191.4407 225.4427 556160.0768 0.4926 0.6183 PRESSURE: 141800 -119.734 -78.7338 54.1137 -78.7339 -411.636 71.1937 54.1143 71.1926 -51.8138 GPRESSURE: 141800 -94.3158 -30.4991 37.1664 -161.097 -394.733 68.8603 71.3349 40.6241 11.3452 PRESSAVG: 141800 -24.8938 35.4291 52.2061 35.4291 14.0022 45.9996 52.2061 45.9995 27.5776 GPRESSAVG: 141800 -24.9259 35.3344 53.1222 34.6971 14.2517 45.6448 52.6275 47.4849 27.8348 TIMING: 141800 CPU: 412.435, 0.00289909/step Wall: 412.435, 0.00289909/step, 3.91233 hours remaining, 202.679688 MB of memory in use. ENERGY: 141800 783.6897 2125.9396 1975.9036 123.6363 -206261.4300 17806.0872 0.0000 0.0000 34126.1805 -149319.9930 298.0324 -183446.1735 -149222.3623 298.6835 -194.3947 -159.2345 557880.6334 5.5620 5.7202 PRESSURE: 142000 84.9007 -142.858 -79.9159 -142.857 22.8505 -113.542 -79.9159 -113.542 -44.2466 GPRESSURE: 142000 115.942 -62.4959 -65.2411 -62.588 70.062 -37.4338 -92.8383 -96.8455 -20.1326 PRESSAVG: 142000 11.5416 -36.6555 1.69538 -36.6556 -40.2926 -15.1737 1.6954 -15.1737 46.7441 GPRESSAVG: 142000 12.6266 -34.7447 1.99077 -35.775 -40.5186 -13.0469 1.08118 -16.4245 46.2581 TIMING: 142000 CPU: 413.015, 0.00290039/step Wall: 413.015, 0.00290039/step, 3.91391 hours remaining, 202.679688 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: 142000 756.8331 2124.5901 1967.3603 109.4681 -206024.5064 17783.3369 0.0000 0.0000 34067.9418 -149214.9761 297.5238 -183282.9179 -149120.2263 299.0993 21.1682 55.2904 557024.0982 5.9977 6.1220 PRESSURE: 142200 -36.5496 -56.4381 -124.155 -56.4382 -5.49482 71.3781 -124.154 71.3762 117.137 GPRESSURE: 142200 40.4043 -10.2553 -106.289 -36.4823 20.9467 38.2336 -121.241 75.647 119.247 PRESSAVG: 142200 68.7225 -36.5505 -19.046 -36.5505 -85.0868 -9.96754 -19.0459 -9.96763 -12.269 GPRESSAVG: 142200 68.71 -38.3527 -19.4281 -37.6647 -85.9128 -13.2561 -17.5677 -8.0934 -11.7161 TIMING: 142200 CPU: 413.597, 0.00291041/step Wall: 413.597, 0.00291041/step, 3.92728 hours remaining, 202.679688 MB of memory in use. ENERGY: 142200 696.8502 2145.7908 1982.7504 122.4771 -206255.3178 17777.7507 0.0000 0.0000 34386.5607 -149143.1379 300.3064 -183529.6986 -149042.6934 298.9360 25.0307 60.1994 556895.8970 -9.5445 -9.6396 PRESSURE: 142400 132.21 -14.4272 -34.5245 -14.427 -292.738 12.1202 -34.5256 12.1198 -348.543 GPRESSURE: 142400 176.284 -92.3066 -10.4766 36.8283 -286.985 17.2196 -13.7692 47.5167 -292.172 PRESSAVG: 142400 -29.0392 -4.1408 6.82617 -4.14082 10.1369 37.7327 6.82636 37.7327 0.585689 GPRESSAVG: 142400 -29.0734 -3.13694 8.05971 -4.83709 9.79121 40.2564 6.28927 36.6742 0.908486 TIMING: 142400 CPU: 414.182, 0.00292521/step Wall: 414.182, 0.00292521/step, 3.94709 hours remaining, 202.679688 MB of memory in use. ENERGY: 142400 709.8950 2122.0713 1988.9574 113.7759 -206073.1707 17652.8995 0.0000 0.0000 34241.0981 -149244.4735 299.0360 -183485.5716 -149150.9345 299.6317 -169.6901 -134.2909 557900.1713 -6.1055 -6.1246 PRESSURE: 142600 21.1817 76.8348 -22.6574 76.8352 -34.4547 -20.8864 -22.6569 -20.8859 -211.521 GPRESSURE: 142600 90.1734 94.9509 -3.67992 90.081 -64.0065 -23.4339 -30.7014 -17.9928 -157.634 PRESSAVG: 142600 -20.231 -37.1798 54.0982 -37.1798 18.4391 4.41318 54.0983 4.41325 61.6823 GPRESSAVG: 142600 -18.9346 -36.7301 53.3877 -37.8762 18.1933 3.72352 52.8018 4.76384 60.5064 TIMING: 142600 CPU: 414.77, 0.00293963/step Wall: 414.77, 0.00293963/step, 3.96638 hours remaining, 202.679688 MB of memory in use. ENERGY: 142600 733.2641 2076.0159 1993.0776 130.0988 -206294.3803 17757.5379 0.0000 0.0000 34429.6879 -149174.6981 300.6830 -183604.3860 -149075.0053 299.2428 -74.9312 -43.8224 558181.4592 19.9635 19.9217 PRESSURE: 142800 76.0712 151.684 24.1272 151.685 75.872 -23.939 24.1287 -23.9382 42.4921 GPRESSURE: 142800 54.7533 129.074 -59.3965 188.123 116.004 19.8802 115.111 -91.2298 110.469 PRESSAVG: 142800 20.2129 40.3073 18.1335 40.3073 -79.3742 -30.911 18.1336 -30.9109 66.2147 GPRESSAVG: 142800 18.7072 39.516 18.3486 42.0665 -78.3352 -30.9784 19.8648 -32.1311 66.2368 TIMING: 142800 CPU: 415.349, 0.00289354/step Wall: 415.349, 0.00289354/step, 3.90403 hours remaining, 202.679688 MB of memory in use. ENERGY: 142800 738.6127 2079.5444 1992.3997 119.8381 -205940.3731 17876.7185 0.0000 0.0000 34067.8640 -149065.3956 297.5231 -183133.2596 -148968.5245 299.4255 64.8118 93.7421 557809.0437 2.3511 2.2029 PRESSURE: 143000 178.785 -9.83213 73.0586 -9.83106 -80.6811 87.1783 73.0583 87.1796 -221.404 GPRESSURE: 143000 198.79 -42.4722 12.1139 85.9202 -77.3365 133.032 80.8128 107.017 -153.104 PRESSAVG: 143000 11.7074 55.3262 36.2996 55.3262 -30.2569 -25.8323 36.2996 -25.8323 37.5568 GPRESSAVG: 143000 12.3759 55.2802 35.6549 55.6042 -30.9676 -26.1725 35.0914 -25.4915 37.1372 TIMING: 143000 CPU: 415.928, 0.00289618/step Wall: 415.928, 0.00289618/step, 3.90743 hours remaining, 202.679688 MB of memory in use. ENERGY: 143000 758.8326 2088.8035 2002.6283 121.2875 -206060.6277 17787.8614 0.0000 0.0000 34280.1822 -149021.0323 299.3774 -183301.2145 -148929.0531 299.6285 -41.1002 -10.5504 556785.1811 6.3358 6.1818 PRESSURE: 143200 21.8359 28.234 -49.0094 28.2346 -199.708 -97.8762 -49.0081 -97.8755 220.762 GPRESSURE: 143200 60.1862 45.5522 -5.82577 13.0338 -159.569 -139.783 -100.567 -163.24 251.732 PRESSAVG: 143200 -5.99103 45.1499 1.44982 45.1497 7.2702 8.23263 1.44981 8.23266 44.1333 GPRESSAVG: 143200 -7.75529 44.951 3.09543 43.5403 8.70955 6.87918 2.25078 9.54896 44.5902 TIMING: 143200 CPU: 416.513, 0.00292251/step Wall: 416.513, 0.00292251/step, 3.94278 hours remaining, 202.679688 MB of memory in use. ENERGY: 143200 776.5592 2100.6706 1995.0068 108.4130 -205952.5749 17829.5755 0.0000 0.0000 34351.1210 -148791.2288 299.9969 -183142.3498 -148693.9940 300.2263 14.2966 50.7832 557109.8921 15.1375 15.1815 PRESSURE: 143400 -67.0814 18.4224 5.48508 18.4225 -155.765 33.8105 5.4864 33.8103 -355.293 GPRESSURE: 143400 2.69028 8.54679 24.6132 21.0446 -126.793 71.5822 21.8556 85.2996 -351.877 PRESSAVG: 143400 54.7261 -15.2852 -10.0725 -15.2851 -64.463 -8.22669 -10.0725 -8.22654 48.6471 GPRESSAVG: 143400 55.4397 -15.7863 -10.4169 -15.1684 -64.6307 -5.47598 -10.5194 -10.7755 48.5047 TIMING: 143400 CPU: 417.101, 0.00293976/step Wall: 417.101, 0.00293976/step, 3.96589 hours remaining, 202.679688 MB of memory in use. ENERGY: 143400 744.5591 2142.2102 1988.3339 110.9901 -205796.8270 17592.6057 0.0000 0.0000 34421.9958 -148796.1321 300.6159 -183218.1279 -148702.0863 299.9910 -192.7132 -158.6599 558345.9768 12.9700 13.1046 PRESSURE: 143600 -95.2099 10.4138 -26.2385 10.4146 -234.09 137.219 -26.2386 137.219 -284.081 GPRESSURE: 143600 -47.8949 33.2888 -38.6965 -17.4926 -196.038 139.892 -9.35718 108.676 -271.502 PRESSAVG: 143600 59.8953 50.8373 -24.5695 50.8372 -34.6888 -13.2301 -24.5694 -13.2301 -33.12 GPRESSAVG: 143600 60.5417 50.7411 -26.4697 51.5764 -36.2703 -14.395 -24.7676 -10.9725 -32.2567 TIMING: 143600 CPU: 417.681, 0.00290001/step Wall: 417.681, 0.00290001/step, 3.91211 hours remaining, 202.679688 MB of memory in use. ENERGY: 143600 780.8862 2126.7147 1981.9913 119.5858 -205455.5627 17432.4143 0.0000 0.0000 34216.3102 -148797.6601 298.8195 -183013.9703 -148701.1053 300.1564 -204.4604 -171.8115 558071.4600 -2.6378 -2.6618 PRESSURE: 143800 116.784 -127.791 -30.1686 -127.792 -41.7087 150.141 -30.169 150.139 371.612 GPRESSURE: 143800 113.999 -113.471 31.1962 -141.664 22.4418 97.4933 -22.2532 74.7106 405.291 PRESSAVG: 143800 35.6098 -8.33167 78.6131 -8.33175 -15.5029 5.00706 78.6131 5.00701 -0.78048 GPRESSAVG: 143800 35.0664 -9.49859 79.9645 -7.49753 -13.6562 3.69811 79.263 4.26157 -2.08992 TIMING: 143800 CPU: 418.265, 0.00292352/step Wall: 418.265, 0.00292352/step, 3.94367 hours remaining, 202.679688 MB of memory in use. ENERGY: 143800 741.6083 2163.0155 1991.4472 103.3649 -205951.6599 17811.5477 0.0000 0.0000 34468.9037 -148671.7726 301.0255 -183140.6763 -148570.9111 300.5702 148.8958 180.5771 557021.5969 6.4422 6.4401 PRESSURE: 144000 108.415 48.2664 -57.3389 48.2662 270.343 -281.848 -57.3394 -281.847 297.307 GPRESSURE: 144000 148.238 45.7451 0.684838 73.3496 282.002 -271.669 -65.7248 -251.786 338.934 PRESSAVG: 144000 25.4901 -35.0434 18.8877 -35.0433 -51.5292 -50.3049 18.8877 -50.3049 32.1455 GPRESSAVG: 144000 25.3974 -35.2827 19.0633 -36.6294 -52.47 -48.9385 17.3251 -51.6889 33.3508 TIMING: 144000 CPU: 418.848, 0.00291555/step Wall: 418.848, 0.00291555/step, 3.93276 hours remaining, 202.679688 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: 144000 779.7667 2147.4835 1979.6557 128.3358 -206547.0676 18240.5337 0.0000 0.0000 34464.1111 -148807.1810 300.9837 -183271.2921 -148717.2443 300.6983 225.3552 256.3914 556939.8494 2.0355 2.0927 PRESSURE: 144200 26.0886 133.433 -139.937 133.433 -225.846 -161.114 -139.936 -161.114 104.872 GPRESSURE: 144200 56.5556 159.133 -23.4409 152.405 -174.562 -47.1298 -256.141 -246.061 122.75 PRESSAVG: 144200 31.2405 32.4767 1.8582 32.4767 -45.3991 -59.3569 1.85818 -59.3569 -3.94459 GPRESSAVG: 144200 30.9396 34.1765 2.37692 33.1315 -45.779 -60.8368 1.74834 -56.8202 -3.83565 TIMING: 144200 CPU: 419.431, 0.00291055/step Wall: 419.431, 0.00291055/step, 3.92585 hours remaining, 202.679688 MB of memory in use. ENERGY: 144200 762.7730 2097.2617 1977.3382 114.2748 -206229.9828 17832.7087 0.0000 0.0000 34572.8802 -148872.7460 301.9336 -183445.6263 -148779.5627 300.3088 -31.6286 1.5811 557697.1904 -6.0344 -6.2250 LDB: ============= START OF LOAD BALANCING ============== 422.898 LDB: ============== END OF LOAD BALANCING =============== 422.898 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 422.899 LDB: ============= START OF LOAD BALANCING ============== 423.19 LDB: Largest compute 4820 load 0.032013 is 27.3% of average load 0.117282 LDB: Average compute 0.001734 is 1.5% of average load 0.117282 LDB: TIME 423.193 LOAD: AVG 0.117282 MAX 0.177071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.215 MB LDB: TIME 423.193 LOAD: AVG 0.117282 MAX 0.177071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.418 MB LDB: TIME 423.193 LOAD: AVG 0.117282 MAX 0.177071 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.418 MB LDB: ============== END OF LOAD BALANCING =============== 423.195 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 423.199 PRESSURE: 144400 24.734 -2.30857 -203.523 -2.30818 147.947 78.8571 -203.523 78.8572 -185.459 GPRESSURE: 144400 9.04578 -115.288 -134.848 66.3686 207.43 44.6821 -185.326 59.9996 -137.31 PRESSAVG: 144400 -9.8696 3.97748 11.9446 3.97745 54.4376 -19.6121 11.9446 -19.6122 -52.4702 GPRESSAVG: 144400 -8.93204 2.51342 10.7465 4.78043 55.6602 -21.2529 14.351 -19.9818 -54.6467 TIMING: 144400 CPU: 420.024, 0.00296537/step Wall: 420.024, 0.00296537/step, 3.99963 hours remaining, 202.082031 MB of memory in use. ENERGY: 144400 778.7545 2115.5673 1991.1566 123.5461 -206105.6688 17717.2254 0.0000 0.0000 34424.6217 -148954.7973 300.6388 -183379.4190 -148857.3364 299.9297 -4.2591 26.3886 558037.6175 -2.6341 -2.6395 PRESSURE: 144600 -29.629 55.52 150.482 55.5215 -32.2393 -58.3533 150.482 -58.356 -202.131 GPRESSURE: 144600 -22.3243 87.8884 110.937 74.5345 71.9449 -10.1152 148.413 -95.1074 -209.099 PRESSAVG: 144600 -21.9105 36.83 31.2246 36.83 -8.28188 17.165 31.2247 17.165 22.3131 GPRESSAVG: 144600 -22.7863 37.3005 30.7803 36.2348 -9.52887 19.9215 30.1626 15.6845 24.7196 TIMING: 144600 CPU: 420.606, 0.00291305/step Wall: 420.606, 0.00291305/step, 3.9289 hours remaining, 202.285156 MB of memory in use. ENERGY: 144600 729.0576 2070.6231 1981.5713 116.6502 -206043.6245 17745.4624 0.0000 0.0000 34392.6054 -149007.6545 300.3592 -183400.2599 -148909.1294 300.0216 -87.9998 -53.1594 558540.2322 -2.6264 -2.5319 PRESSURE: 144800 -101.602 -212.639 -89.0125 -212.638 -321.443 220.861 -89.0122 220.862 134.835 GPRESSURE: 144800 -51.2769 -158.909 -78.9358 -170.859 -227.392 287.271 -35.7925 104.765 90.2085 PRESSAVG: 144800 31.4668 -39.261 -3.40302 -39.261 -19.7861 -18.4311 -3.40289 -18.4312 -30.0224 GPRESSAVG: 144800 32.1111 -39.0844 -3.88436 -40.1028 -19.8686 -17.8776 -2.56073 -19.2705 -29.9911 TIMING: 144800 CPU: 421.185, 0.00289152/step Wall: 421.185, 0.00289152/step, 3.8997 hours remaining, 202.285156 MB of memory in use. ENERGY: 144800 745.6417 2107.1378 1981.5296 109.5201 -206228.7750 17826.0085 0.0000 0.0000 34299.3461 -149159.5911 299.5447 -183458.9372 -149067.3953 299.8724 -96.0697 -62.8202 558570.1320 -6.1139 -5.9162 PRESSURE: 145000 31.6838 110.958 -273.349 110.958 -130.146 10.3496 -273.349 10.3504 228.884 GPRESSURE: 145000 91.0607 8.80944 -255.145 107.214 -52.2759 51.5942 -258.576 18.2606 192.717 PRESSAVG: 145000 23.2022 -19.6464 -13.618 -19.6464 -16.058 -51.7281 -13.618 -51.7281 -7.93763 GPRESSAVG: 145000 23.5188 -18.9826 -13.4053 -19.2751 -14.8298 -53.0143 -14.3108 -50.7454 -9.39741 TIMING: 145000 CPU: 421.766, 0.00290888/step Wall: 421.766, 0.00290888/step, 3.92294 hours remaining, 202.285156 MB of memory in use. ENERGY: 145000 749.4275 2054.4557 1965.8114 111.6468 -206126.3527 17728.8851 0.0000 0.0000 34217.1285 -149298.9977 298.8267 -183516.1262 -149205.0154 299.3672 43.4740 77.1674 558302.4782 -0.2645 -0.2362 PRESSURE: 145200 19.1514 -73.7101 -32.3976 -73.7094 -235.501 -54.2954 -32.3972 -54.2953 -58.1533 GPRESSURE: 145200 22.1821 11.1543 23.0662 -60.1089 -225.503 -62.868 -67.3552 -66.2795 16.8477 PRESSAVG: 145200 -8.68603 -17.7173 -14.0677 -17.7174 -19.4416 -3.63613 -14.0677 -3.63624 24.8389 GPRESSAVG: 145200 -9.66653 -18.9699 -13.3844 -15.8586 -19.7593 -4.02508 -13.7363 -2.26897 26.1992 TIMING: 145200 CPU: 422.347, 0.00290473/step Wall: 422.347, 0.00290473/step, 3.91719 hours remaining, 202.285156 MB of memory in use. ENERGY: 145200 746.8450 2056.4135 1970.3723 119.0013 -206272.0449 17759.8966 0.0000 0.0000 34388.2042 -149231.3121 300.3207 -183619.5162 -149134.6447 298.6814 -91.5008 -62.1576 557652.6188 -1.0963 -1.0756 PRESSURE: 145400 29.3519 79.5463 -66.7726 79.5466 72.1237 -56.1324 -66.7731 -56.132 208.738 GPRESSURE: 145400 88.4413 47.5273 -92.9636 68.6845 91.6419 -188.862 -34.305 -14.8974 226.806 PRESSAVG: 145400 49.1926 -41.9357 -28.378 -41.9356 -6.83309 -5.13464 -28.3779 -5.13463 -26.4056 GPRESSAVG: 145400 49.1463 -38.677 -29.468 -44.2111 -7.45443 -3.80136 -29.6222 -5.41617 -25.8249 TIMING: 145400 CPU: 422.926, 0.00289498/step Wall: 422.926, 0.00289498/step, 3.90388 hours remaining, 202.285156 MB of memory in use. ENERGY: 145400 769.2442 2094.4542 1956.0492 126.2337 -206412.5308 18074.7716 0.0000 0.0000 34183.6407 -149208.1372 298.5342 -183391.7779 -149114.9205 298.2528 103.4045 135.6297 556556.5311 5.3180 5.2890 PRESSURE: 145600 -63.0954 38.4349 44.0013 38.4345 -201.159 35.0161 44.001 35.0179 275.546 GPRESSURE: 145600 -7.41371 84.7765 136.231 92.1204 -213.889 54.1755 104.05 34.4619 335.952 PRESSAVG: 145600 -7.32102 18.4391 -74.3435 18.439 3.10619 18.4953 -74.3434 18.4953 50.4849 GPRESSAVG: 145600 -6.67981 17.1076 -73.1581 18.3837 3.98903 16.6494 -74.9023 17.1316 49.5511 TIMING: 145600 CPU: 423.506, 0.00289889/step Wall: 423.506, 0.00289889/step, 3.909 hours remaining, 202.285156 MB of memory in use. ENERGY: 145600 781.0624 2106.1021 1989.5458 113.4890 -206388.8142 17966.6288 0.0000 0.0000 34266.4410 -149165.5452 299.2574 -183431.9862 -149076.3652 299.2677 3.7638 38.2164 558165.9749 15.4233 15.6201 PRESSURE: 145800 155.555 -44.7688 -53.7771 -44.7692 -103.184 43.1531 -53.7775 43.1543 19.6249 GPRESSURE: 145800 192.734 -113.619 -93.2542 -6.05144 -109.949 24.3334 -59.7475 68.7052 82.3463 PRESSAVG: 145800 1.6995 6.1348 -89.2146 6.13475 -22.1923 82.7467 -89.2145 82.7468 27.5002 GPRESSAVG: 145800 0.990735 5.54024 -89.6163 8.4425 -21.5772 82.2811 -89.2951 83.2139 27.8283 TIMING: 145800 CPU: 424.092, 0.00292776/step Wall: 424.092, 0.00292776/step, 3.94776 hours remaining, 202.285156 MB of memory in use. ENERGY: 145800 759.5990 2069.9282 1999.6999 112.4236 -205969.9553 17935.3542 0.0000 0.0000 34088.8530 -149004.0974 297.7064 -183092.9504 -148908.7101 299.6995 23.9986 55.0436 557282.1411 2.3358 2.4140 PRESSURE: 146000 -98.978 -1.67295 -155.329 -1.6719 35.7174 90.4115 -155.329 90.4129 36.7195 GPRESSURE: 146000 -53.5972 22.6275 -60.1814 -8.37793 48.5093 9.22518 -232.684 138.746 79.1934 PRESSAVG: 146000 29.0692 -25.9799 -14.1896 -25.9799 -40.0616 58.6237 -14.1896 58.6238 20.131 GPRESSAVG: 146000 29.0375 -27.238 -13.7767 -26.4168 -39.5532 58.8379 -13.8436 59.7073 19.0496 TIMING: 146000 CPU: 424.67, 0.00288997/step Wall: 424.67, 0.00288997/step, 3.89664 hours remaining, 202.285156 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: 146000 747.3046 2083.7271 1986.2985 134.5412 -205721.5069 17743.2740 0.0000 0.0000 34006.4968 -149019.8646 296.9872 -183026.3613 -148922.9317 298.7988 -8.8470 24.7018 556949.8668 3.0462 2.8446 PRESSURE: 146200 -190.308 -69.1591 -74.4046 -69.1594 42.1563 -46.8262 -74.4032 -46.8263 -37.0036 GPRESSURE: 146200 -133.251 -107.517 -32.7983 -110.126 45.2845 -36.6895 -99.1664 -63.5398 -11.6126 PRESSAVG: 146200 -73.5923 -6.51713 -52.7224 -6.51722 29.9032 -38.9951 -52.7224 -38.9952 37.8103 GPRESSAVG: 146200 -73.5565 -4.79101 -52.6535 -7.38033 28.9193 -36.8765 -52.1653 -40.8359 37.9001 TIMING: 146200 CPU: 425.252, 0.00291257/step Wall: 425.252, 0.00291257/step, 3.92696 hours remaining, 202.285156 MB of memory in use. ENERGY: 146200 749.1570 2127.5121 1955.5226 114.9627 -206141.2882 17844.2927 0.0000 0.0000 34261.9663 -149087.8749 299.2183 -183349.8412 -148994.9220 298.2716 -61.7183 -33.1930 558492.4286 -1.9596 -2.2457 PRESSURE: 146400 -60.8082 36.3494 44.395 36.3477 91.9996 90.9232 44.3954 90.9232 102.953 GPRESSURE: 146400 -38.0087 57.7974 85.3176 -5.36821 139.932 58.7437 26.2518 69.8683 132.187 PRESSAVG: 146400 -11.4109 -52.1045 19.4681 -52.1046 7.19472 -2.90757 19.4682 -2.90752 5.75118 GPRESSAVG: 146400 -11.5142 -51.7392 18.6967 -50.9494 6.63073 -3.60652 20.3946 -2.91435 6.68185 TIMING: 146400 CPU: 425.831, 0.00289664/step Wall: 425.831, 0.00289664/step, 3.90531 hours remaining, 202.285156 MB of memory in use. ENERGY: 146400 742.4671 2089.3856 1995.2465 110.0287 -206235.5933 17951.3234 0.0000 0.0000 34267.5866 -149079.5554 299.2674 -183347.1421 -148980.8009 298.8664 44.7147 78.0369 558692.0113 0.5117 0.5994 PRESSURE: 146600 -348.763 25.9219 -42.1327 25.9221 17.436 -32.8826 -42.1323 -32.8843 88.559 GPRESSURE: 146600 -264.136 -7.95229 -23.3364 -0.0888782 46.7246 -26.792 -126.661 -100.064 67.1845 PRESSAVG: 146600 31.8975 -6.42741 -4.22498 -6.42742 -10.7251 -14.4615 -4.22492 -14.4615 -14.3409 GPRESSAVG: 146600 32.6982 -7.92049 -5.00766 -6.36193 -10.4906 -15.1452 -4.99329 -13.2278 -15.0293 TIMING: 146600 CPU: 426.41, 0.00289225/step Wall: 426.41, 0.00289225/step, 3.89923 hours remaining, 202.285156 MB of memory in use. ENERGY: 146600 739.7543 2130.8768 1995.3009 119.2677 -206008.1718 17699.5860 0.0000 0.0000 34444.1314 -148879.2548 300.8092 -183323.3862 -148778.2556 300.0282 -80.9226 -50.0756 557898.8837 2.2771 2.3928 PRESSURE: 146800 57.6662 -128.003 -204.045 -128.002 -47.9816 -118.025 -204.044 -118.025 22.8047 GPRESSURE: 146800 65.6175 -51.1068 -267.889 -104.849 -15.6753 -94.6971 -169.036 -224.295 87.7677 PRESSAVG: 146800 26.392 6.73394 -92.2133 6.73397 17.808 38.3011 -92.2133 38.301 -40.9101 GPRESSAVG: 146800 27.1985 8.09991 -91.8409 6.45773 17.3611 39.2762 -92.1743 37.5133 -41.4104 TIMING: 146800 CPU: 426.989, 0.00289348/step Wall: 426.989, 0.00289348/step, 3.90074 hours remaining, 202.285156 MB of memory in use. ENERGY: 146800 725.9654 2092.0867 2002.5342 120.6706 -205913.0523 17677.7224 0.0000 0.0000 34456.0105 -148838.0624 300.9129 -183294.0729 -148733.5276 300.0499 10.8298 45.9033 558448.2483 1.0966 1.0497 PRESSURE: 147000 -167.445 -157.265 -163.391 -157.265 -111.564 -62.1674 -163.391 -62.1666 41.8144 GPRESSURE: 147000 -174.97 -170.696 -62.7937 -38.4519 -41.2734 -23.5825 -212.994 7.14847 80.9216 PRESSAVG: 147000 -46.9379 -48.1835 3.84279 -48.1835 -67.3676 0.883279 3.84283 0.883208 124.742 GPRESSAVG: 147000 -46.7566 -49.4782 4.59375 -45.7947 -68.1431 0.349022 1.71942 0.667634 125.456 TIMING: 147000 CPU: 427.574, 0.00292722/step Wall: 427.574, 0.00292722/step, 3.94606 hours remaining, 202.285156 MB of memory in use. ENERGY: 147000 722.9229 2118.5904 1987.9368 117.9590 -205569.3029 17566.5686 0.0000 0.0000 34063.4404 -148991.8847 297.4845 -183055.3252 -148892.1716 299.7916 -79.0651 -45.1072 558126.6745 3.4789 3.5188 PRESSURE: 147200 -86.7562 37.8689 -6.42421 37.8697 -244.446 -33.4822 -6.42455 -33.481 -36.6522 GPRESSURE: 147200 -38.0504 88.6289 67.9003 52.0781 -235.908 -17.4467 70.7371 -72.4914 -4.28016 PRESSAVG: 147200 23.6559 -64.1397 -60.7776 -64.1396 -17.1048 31.6971 -60.7775 31.697 40.5864 GPRESSAVG: 147200 22.4074 -62.861 -60.7066 -65.7544 -16.1237 29.9901 -58.6738 32.6963 40.3127 TIMING: 147200 CPU: 428.159, 0.00292591/step Wall: 428.159, 0.00292591/step, 3.94412 hours remaining, 202.285156 MB of memory in use. ENERGY: 147200 749.9772 2080.7620 1963.0024 106.2953 -206001.9646 17563.1363 0.0000 0.0000 34447.6659 -149091.1255 300.8400 -183538.7914 -148995.0691 299.7095 -122.6180 -92.7461 557457.2563 15.7125 15.5322 PRESSURE: 147400 73.7617 2.06874 -109.359 2.06899 93.5699 -34.8 -109.359 -34.8011 -148.696 GPRESSURE: 147400 141.562 -26.2076 -111.632 -75.1853 46.0279 -51.1577 -143.99 -81.3411 -74.5696 PRESSAVG: 147400 40.1136 12.8852 -28.2333 12.8851 -57.4699 -5.93776 -28.2333 -5.9377 -55.6124 GPRESSAVG: 147400 39.7439 14.3961 -25.9828 10.9473 -56.1312 -5.69593 -28.8299 -6.31135 -56.7905 TIMING: 147400 CPU: 428.74, 0.00290233/step Wall: 428.74, 0.00290233/step, 3.91218 hours remaining, 202.285156 MB of memory in use. ENERGY: 147400 748.9442 2016.5505 2006.1407 111.0807 -206059.8826 17714.9316 0.0000 0.0000 34230.8189 -149231.4160 298.9463 -183462.2349 -149138.3929 299.1107 6.2119 37.6733 557097.6746 -24.3229 -24.3926 PRESSURE: 147600 -200.409 33.9047 0.942399 33.9052 -362.754 -259.141 0.940857 -259.139 -139.624 GPRESSURE: 147600 -204.691 47.1408 -3.04204 17.3416 -320.421 -258.597 12.7923 -296.951 -76.7819 PRESSAVG: 147600 18.6633 13.0407 -31.4464 13.0406 -47.4356 -39.8018 -31.4464 -39.8018 53.0894 GPRESSAVG: 147600 17.9537 12.4665 -34.5726 14.9171 -47.3477 -39.1726 -30.9015 -41.509 52.9203 TIMING: 147600 CPU: 429.316, 0.00288015/step Wall: 429.316, 0.00288015/step, 3.88213 hours remaining, 202.285156 MB of memory in use. ENERGY: 147600 754.0465 2076.5339 1976.9583 101.3061 -205599.9960 17380.5528 0.0000 0.0000 34099.6311 -149210.9671 297.8006 -183310.5983 -149118.5569 298.3435 -234.2625 -200.6314 557159.3521 8.1057 7.8421 PRESSURE: 147800 -131.656 169.082 -42.5792 169.082 47.2797 25.5898 -42.5799 25.5901 -49.7105 GPRESSURE: 147800 -64.7914 207.583 -16.1687 163.93 22.759 -13.1658 -95.5479 62.9596 0.302647 PRESSAVG: 147800 -18.5318 25.6391 -14.1774 25.6391 30.0246 14.7149 -14.1774 14.7149 32.4118 GPRESSAVG: 147800 -19.2828 25.7158 -14.3803 26.2783 28.9361 15.5081 -14.3044 14.3919 33.3985 TIMING: 147800 CPU: 429.895, 0.00289875/step Wall: 429.895, 0.00289875/step, 3.90704 hours remaining, 202.285156 MB of memory in use. ENERGY: 147800 767.3191 2075.8643 1977.5598 130.8281 -205979.6551 17796.6461 0.0000 0.0000 34190.5888 -149040.8489 298.5949 -183231.4377 -148947.6301 298.8591 -44.6955 -13.9099 559045.9759 14.6348 14.3506 PRESSURE: 148000 -149.93 21.8155 10.1573 21.8145 136.191 118.831 10.1579 118.832 -198.236 GPRESSURE: 148000 -179.019 96.1554 -101.445 10.2805 193.59 104.401 11.6922 84.868 -139.304 PRESSAVG: 148000 -25.4707 -22.6126 22.2731 -22.6127 -11.1783 46.1755 22.2731 46.1755 -9.47719 GPRESSAVG: 148000 -24.7235 -22.1082 23.4219 -24.4974 -11.218 45.5773 23.5425 47.5146 -9.90603 TIMING: 148000 CPU: 430.476, 0.00290257/step Wall: 430.476, 0.00290257/step, 3.91202 hours remaining, 202.285156 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: 148000 723.5556 2080.9283 1964.6298 115.5984 -206119.2254 17846.0676 0.0000 0.0000 34505.0187 -148883.4269 301.3409 -183388.4456 -148792.5799 299.6970 -70.6583 -41.5776 558936.8246 -15.3754 -15.2825 PRESSURE: 148200 71.7273 12.6304 5.81982 12.6303 124.687 27.1035 5.82007 27.1026 -235.194 GPRESSURE: 148200 89.4562 34.8792 85.0309 -107.032 194.28 62.5654 -75.1421 -53.768 -239.524 PRESSAVG: 148200 -9.47572 1.07548 -10.8919 1.07552 57.3704 -20.7991 -10.8919 -20.7991 -58.0756 GPRESSAVG: 148200 -9.13859 -0.404364 -10.3679 1.85822 57.0773 -20.7582 -14.045 -21.9942 -57.8709 TIMING: 148200 CPU: 431.053, 0.00288714/step Wall: 431.053, 0.00288714/step, 3.89107 hours remaining, 202.285156 MB of memory in use. ENERGY: 148200 717.6332 2111.7366 2000.4350 118.6272 -206257.4033 17868.0063 0.0000 0.0000 34519.5971 -148921.3678 301.4682 -183440.9650 -148820.3301 300.3856 -12.9264 14.7376 557285.6056 -3.3936 -3.3107 LDB: ============= START OF LOAD BALANCING ============== 434.518 LDB: ============== END OF LOAD BALANCING =============== 434.519 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 434.52 LDB: ============= START OF LOAD BALANCING ============== 434.81 LDB: Largest compute 4820 load 0.031649 is 27.0% of average load 0.117328 LDB: Average compute 0.001729 is 1.5% of average load 0.117328 LDB: TIME 434.813 LOAD: AVG 0.117328 MAX 0.178559 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.043 MB LDB: TIME 434.813 LOAD: AVG 0.117328 MAX 0.178559 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.043 MB LDB: TIME 434.813 LOAD: AVG 0.117328 MAX 0.178559 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.043 MB LDB: ============== END OF LOAD BALANCING =============== 434.815 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 434.819 PRESSURE: 148400 -37.3142 75.1416 122.318 75.1411 -114.889 -153.082 122.318 -153.082 -331.486 GPRESSURE: 148400 49.3054 74.7814 110.61 56.5067 -126.149 -206.602 151.391 -111.298 -305.149 PRESSAVG: 148400 39.593 -44.6641 44.9476 -44.6641 -27.2973 -16.2474 44.9477 -16.2474 -51.2755 GPRESSAVG: 148400 40.4731 -43.6075 45.8184 -43.1347 -28.0153 -15.7511 46.6061 -15.0404 -51.4185 TIMING: 148400 CPU: 431.644, 0.00295112/step Wall: 431.644, 0.00295112/step, 3.97712 hours remaining, 200.621094 MB of memory in use. ENERGY: 148400 751.7585 2095.1082 1991.1574 108.5499 -206024.7634 17829.1096 0.0000 0.0000 34328.3014 -148920.7784 299.7976 -183249.0798 -148823.7953 299.6349 -161.2297 -127.3311 560014.7106 -12.9933 -12.9869 PRESSURE: 148600 -318.989 81.879 -73.6419 81.8788 -240.105 93.5566 -73.6407 93.555 -40.2456 GPRESSURE: 148600 -250.023 33.8336 -63.4349 40.5579 -242.44 92.5627 -71.154 30.0783 -18.6744 PRESSAVG: 148600 63.2703 8.34832 20.4263 8.34836 -54.234 47.2267 20.4263 47.2269 42.6512 GPRESSAVG: 148600 63.0448 8.99214 19.6887 5.65076 -52.995 45.4825 19.9986 48.4427 41.478 TIMING: 148600 CPU: 432.225, 0.00290736/step Wall: 432.225, 0.00290736/step, 3.918 hours remaining, 200.621094 MB of memory in use. ENERGY: 148600 742.1822 2095.5800 1942.5807 101.1167 -205698.4601 17569.9103 0.0000 0.0000 34470.5351 -148776.5550 301.0398 -183247.0902 -148685.8980 300.4078 -199.7799 -170.3792 559265.5412 17.2292 17.1759 PRESSURE: 148800 -264.339 31.2894 -29.2741 31.2902 -317.147 129.785 -29.2746 129.785 -346.639 GPRESSURE: 148800 -175.031 17.8278 30.4913 105.852 -257.995 77.5324 -23.2062 145.742 -385.057 PRESSAVG: 148800 12.4894 -17.8429 31.5449 -17.843 0.802292 38.7199 31.5448 38.7199 31.6984 GPRESSAVG: 148800 12.1756 -18.7375 32.9963 -15.1769 1.33066 41.6163 30.7585 35.7879 31.7041 TIMING: 148800 CPU: 432.805, 0.00290002/step Wall: 432.805, 0.00290002/step, 3.90794 hours remaining, 200.621094 MB of memory in use. ENERGY: 148800 772.2116 2072.8531 1998.7053 116.6063 -205672.0707 17401.6027 0.0000 0.0000 34382.0873 -148928.0044 300.2673 -183310.0917 -148830.3908 300.5522 -309.3750 -272.6944 558554.7543 14.9967 15.0701 PRESSURE: 149000 -149.597 -70.2705 60.3345 -70.2707 -165.731 -26.5113 60.3342 -26.511 -34.2096 GPRESSURE: 149000 -174.408 -95.5537 83.8026 3.95145 -74.239 65.0098 -10.9286 -1.19924 10.0925 PRESSAVG: 149000 72.9082 1.0454 -25.5628 1.04542 -37.1524 5.3173 -25.5629 5.31725 -21.0275 GPRESSAVG: 149000 73.0613 -0.705675 -27.3161 1.25058 -37.4109 3.6854 -25.2826 9.14426 -21.3018 TIMING: 149000 CPU: 433.388, 0.0029141/step Wall: 433.388, 0.0029141/step, 3.92674 hours remaining, 200.878906 MB of memory in use. ENERGY: 149000 711.4705 2095.1861 1969.3528 127.6840 -205975.4596 17904.5937 0.0000 0.0000 34200.6014 -148966.5712 298.6824 -183167.1727 -148871.1993 299.9180 -116.5127 -79.5182 560803.0168 4.9094 4.7829 PRESSURE: 149200 -87.4566 131.978 -186.988 131.977 7.4095 -152.557 -186.987 -152.557 232.017 GPRESSURE: 149200 -64.7433 88.4613 -238.69 85.7242 18.1075 -192.452 -110.262 -104.916 293.383 PRESSAVG: 149200 -15.7046 51.5991 4.6021 51.5992 -15.7202 -12.1355 4.60218 -12.1353 70.1253 GPRESSAVG: 149200 -16.1948 53.2718 3.42425 50.6904 -14.7693 -13.1422 4.63802 -11.3945 69.6883 TIMING: 149200 CPU: 433.973, 0.00292384/step Wall: 433.973, 0.00292384/step, 3.93972 hours remaining, 200.878906 MB of memory in use. ENERGY: 149200 734.1261 2084.4244 1957.9133 120.5174 -205822.2917 17864.8654 0.0000 0.0000 34213.5749 -148846.8702 298.7957 -183060.4451 -148753.7371 299.3721 50.6567 82.2492 558824.0843 12.9002 12.9081 PRESSURE: 149400 -184.407 78.1835 133.469 78.1839 -141.467 -41.6429 133.468 -41.6443 114.858 GPRESSURE: 149400 -145.828 72.4792 170.333 97.5297 -19.2255 -78.1313 102.097 -8.42331 54.9642 PRESSAVG: 149400 -11.8353 18.1899 21.9562 18.1899 -65.3966 -44.1671 21.9562 -44.167 64.3495 GPRESSAVG: 149400 -11.821 19.3252 22.0477 17.39 -66.5464 -44.068 21.4683 -46.4782 65.3687 TIMING: 149400 CPU: 434.549, 0.00288039/step Wall: 434.549, 0.00288039/step, 3.88101 hours remaining, 200.878906 MB of memory in use. ENERGY: 149400 711.2187 2029.7092 1989.0089 116.0259 -205793.5744 17510.5032 0.0000 0.0000 34572.4517 -148864.6568 301.9298 -183437.1086 -148759.9369 299.9262 -70.3388 -36.6965 558439.5674 -4.2941 -4.3329 PRESSURE: 149600 16.3608 -76.4897 90.6736 -76.4896 143.473 3.11817 90.6734 3.11808 -200.06 GPRESSURE: 149600 -2.67657 -82.4257 17.5698 -82.7244 175.717 22.7019 120.047 -4.11553 -117.908 PRESSAVG: 149600 -10.8121 63.9828 58.0841 63.9828 -43.5739 -72.9726 58.0841 -72.9726 51.1892 GPRESSAVG: 149600 -10.9366 63.4441 58.6705 62.2633 -43.3535 -71.3962 59.7738 -73.4795 51.315 TIMING: 149600 CPU: 435.124, 0.00287575/step Wall: 435.124, 0.00287575/step, 3.87459 hours remaining, 200.878906 MB of memory in use. ENERGY: 149600 719.6247 2108.6173 1977.0499 110.5442 -205827.4342 17679.9829 0.0000 0.0000 34259.2414 -148972.3737 299.1945 -183231.6151 -148882.4966 299.7899 -13.4089 18.3775 558658.8455 -1.0656 -0.9917 PRESSURE: 149800 -92.1813 -16.6712 29.3234 -16.6708 46.3338 91.4368 29.3235 91.4366 -256.54 GPRESSURE: 149800 -64.6266 -57.5666 184.51 4.65044 96.4917 -7.08452 0.328518 77.1933 -234.657 PRESSAVG: 149800 42.1078 29.3085 32.043 29.3086 -13.9738 2.88579 32.043 2.88594 -25.8107 GPRESSAVG: 149800 41.9129 29.4082 33.0071 30.9156 -13.7112 1.90363 31.2379 2.3347 -25.7655 TIMING: 149800 CPU: 435.701, 0.00288737/step Wall: 435.701, 0.00288737/step, 3.89008 hours remaining, 200.878906 MB of memory in use. ENERGY: 149800 740.3754 2125.4299 1997.2899 102.8743 -206056.4377 17794.3610 0.0000 0.0000 34204.7063 -149091.4010 298.7182 -183296.1073 -148988.6842 299.5824 -100.7960 -67.5972 557204.5379 0.7744 0.8121 PRESSURE: 150000 129.523 -212.1 -11.1913 -212.1 132.227 -52.4818 -11.191 -52.4808 -83.9562 GPRESSURE: 150000 196.888 -193.994 56.9865 -256.419 188.885 -167.823 -13.7752 13.4932 -95.7264 PRESSAVG: 150000 23.1725 -35.2743 23.9022 -35.2741 11.7512 -16.3144 23.9022 -16.3145 -26.5656 GPRESSAVG: 150000 23.5727 -33.8343 22.2391 -36.254 12.0882 -16.2598 24.4326 -15.4435 -27.1802 TIMING: 150000 CPU: 436.277, 0.00287863/step Wall: 436.277, 0.00287863/step, 3.87815 hours remaining, 200.878906 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: 150000 763.7566 2091.8992 1986.5100 109.7204 -206691.9543 18124.6862 0.0000 0.0000 34501.7438 -149113.6382 301.3123 -183615.3819 -149020.2957 300.3356 59.2645 96.6822 555828.0402 2.7860 2.8269 PRESSURE: 150200 165.596 192.9 -36.308 192.901 -239.955 173.493 -36.3071 173.493 139.67 GPRESSURE: 150200 165.712 171.06 -62.0719 168.356 -219.639 188.696 37.8663 91.7707 219.772 PRESSAVG: 150200 10.4934 -36.6254 32.8107 -36.6254 -47.3456 -43.3732 32.8106 -43.3732 68.5625 GPRESSAVG: 150200 10.161 -38.5838 34.2158 -33.2081 -47.5828 -42.0788 32.2534 -44.4982 69.2049 TIMING: 150200 CPU: 436.858, 0.00290532/step Wall: 436.858, 0.00290532/step, 3.91395 hours remaining, 200.878906 MB of memory in use. ENERGY: 150200 730.7550 2050.2359 1947.9183 122.9322 -206356.8512 17938.6538 0.0000 0.0000 34444.1725 -149122.1836 300.8095 -183566.3561 -149029.9534 299.5983 21.7704 55.2815 555586.6115 10.5701 10.5944 PRESSURE: 150400 -222.897 -36.2236 61.7235 -36.2227 6.63343 -10.8176 61.7235 -10.8164 -43.7482 GPRESSURE: 150400 -187.505 -57.7744 26.9169 -12.2353 58.737 -9.0944 56.105 90.1506 -36.4288 PRESSAVG: 150400 -39.4826 -23.2889 -15.1685 -23.2889 16.8183 24.8342 -15.1684 24.8342 -5.94253 GPRESSAVG: 150400 -39.7705 -23.6274 -16.1656 -23.8972 17.7831 23.3805 -15.0679 25.0084 -6.93708 TIMING: 150400 CPU: 437.436, 0.00288921/step Wall: 437.436, 0.00288921/step, 3.89208 hours remaining, 200.878906 MB of memory in use. ENERGY: 150400 770.8177 2083.9108 1994.2742 105.5557 -206108.5359 17832.0189 0.0000 0.0000 33991.9824 -149329.9761 296.8604 -183321.9585 -149237.5856 299.0897 -86.6704 -55.0654 556455.4172 -9.5356 -9.6415 PRESSURE: 150600 35.5982 33.0285 -281.825 33.0284 -158.141 -89.9854 -281.824 -89.9868 -463.527 GPRESSURE: 150600 44.8931 82.8023 -302.192 10.9568 -156.018 -83.1841 -293.615 -72.6642 -379.379 PRESSAVG: 150600 45.19 26.0245 -53.0428 26.0245 17.3755 -43.6923 -53.0428 -43.6924 -17.3949 GPRESSAVG: 150600 45.8549 25.851 -52.159 24.2225 15.5481 -43.5371 -53.1876 -41.0633 -16.6265 TIMING: 150600 CPU: 438.011, 0.00287348/step Wall: 438.011, 0.00287348/step, 3.87074 hours remaining, 200.878906 MB of memory in use. ENERGY: 150600 746.9355 2083.5356 1992.4474 120.8699 -206103.3619 17584.6363 0.0000 0.0000 34334.4160 -149240.5213 299.8510 -183574.9373 -149140.7678 298.4875 -195.3568 -163.5012 556950.5972 15.0569 14.9255 PRESSURE: 150800 0.642965 9.17193 -177.236 9.17141 53.3054 -15.055 -177.236 -15.0541 -335.65 GPRESSURE: 150800 22.7494 -77.406 -195.803 51.9906 86.9159 -4.29272 -140.858 -31.0404 -291.526 PRESSAVG: 150800 15.8251 1.67188 -50.9308 1.67203 19.0779 21.4078 -50.9308 21.4077 -78.1811 GPRESSAVG: 150800 15.7666 2.75058 -52.3144 2.49351 19.1733 19.7366 -48.8237 20.5931 -78.2366 TIMING: 150800 CPU: 438.587, 0.00288012/step Wall: 438.587, 0.00288012/step, 3.87952 hours remaining, 200.878906 MB of memory in use. ENERGY: 150800 764.3079 2048.0052 1968.4313 111.1189 -206092.2498 17678.0295 0.0000 0.0000 34322.0699 -149200.2872 299.7432 -183522.3571 -149100.0603 299.0286 -93.9006 -60.6200 556748.0085 -14.4260 -14.4322 PRESSURE: 151000 88.5565 68.1213 30.1687 68.1206 185.698 -50.4922 30.1685 -50.4932 170.753 GPRESSURE: 151000 130.531 149.289 17.8788 34.8194 206.399 -148.938 -20.7183 -4.78863 190.389 PRESSAVG: 151000 -9.75384 12.3555 -19.9752 12.3555 31.5887 0.0986732 -19.9752 0.0987321 -38.3333 GPRESSAVG: 151000 -9.71182 12.7398 -17.2242 10.8252 31.7253 1.14832 -23.974 1.47802 -37.7594 TIMING: 151000 CPU: 439.162, 0.00287514/step Wall: 439.162, 0.00287514/step, 3.87266 hours remaining, 200.878906 MB of memory in use. ENERGY: 151000 779.2453 2047.4171 1963.6381 101.1566 -206179.9446 17913.5505 0.0000 0.0000 34133.7631 -149241.1739 298.0986 -183374.9370 -149146.4130 298.3828 148.3361 175.7728 556647.2309 -5.4995 -5.2486 PRESSURE: 151200 257.197 100.434 -85.5049 100.434 135.849 -41.6638 -85.5061 -41.665 -54.3535 GPRESSURE: 151200 261.849 131.037 -20.7837 128.527 129.289 -31.3349 -172.134 -65.1275 41.3811 PRESSAVG: 151200 -29.8405 72.7987 -32.2853 72.7987 47.3818 -35.7813 -32.2852 -35.7812 1.88245 GPRESSAVG: 151200 -29.0414 72.2806 -34.1937 72.8477 46.5293 -33.4897 -28.7878 -38.5618 1.88338 TIMING: 151200 CPU: 439.739, 0.00288679/step Wall: 439.739, 0.00288679/step, 3.88819 hours remaining, 200.878906 MB of memory in use. ENERGY: 151200 742.8099 2118.0038 1977.9470 107.6088 -206613.6589 18171.9327 0.0000 0.0000 34184.1874 -149311.1693 298.5390 -183495.3567 -149216.2442 298.6778 112.8975 144.1731 555302.4491 6.4746 6.4571 PRESSURE: 151400 -142.111 96.8151 130.954 96.8156 -37.0054 34.934 130.953 34.9362 -32.9858 GPRESSURE: 151400 -116.499 46.2475 160.184 122.24 -9.81257 29.5854 80.3117 -31.6208 14.544 PRESSAVG: 151400 -16.1942 52.9335 -28.332 52.9336 12.8159 -67.0037 -28.3319 -67.0038 45.5819 GPRESSAVG: 151400 -17.2501 53.0219 -27.201 53.5474 14.2505 -68.7931 -29.1517 -67.4271 44.3663 TIMING: 151400 CPU: 440.314, 0.00287324/step Wall: 440.314, 0.00287324/step, 3.86977 hours remaining, 200.878906 MB of memory in use. ENERGY: 151400 738.3613 2073.3501 1981.0196 127.7592 -206196.0660 17651.9680 0.0000 0.0000 34182.9732 -149440.6346 298.5284 -183623.6078 -149341.3277 298.9211 -70.7006 -37.2560 557066.4653 14.0679 13.7889 PRESSURE: 151600 149.013 -65.8197 72.4167 -65.8194 -45.1861 4.93497 72.4179 4.93518 328.605 GPRESSURE: 151600 183.894 -49.7347 78.5277 -96.3731 17.6174 63.384 26.8806 -32.0118 329.903 PRESSAVG: 151600 6.10002 45.9778 -27.6843 45.9778 -35.4975 38.1288 -27.6842 38.1289 4.81255 GPRESSAVG: 151600 6.06511 47.4423 -28.3623 42.6229 -36.4001 36.9541 -28.134 39.7302 5.77303 TIMING: 151600 CPU: 440.894, 0.00290076/step Wall: 440.894, 0.00290076/step, 3.90668 hours remaining, 200.878906 MB of memory in use. ENERGY: 151600 758.2571 2016.0743 1970.5201 115.3488 -206709.6954 18027.5520 0.0000 0.0000 34358.4850 -149463.4581 300.0612 -183821.9431 -149361.1478 298.5330 144.1440 177.1379 555640.9504 -8.1950 -8.1873 PRESSURE: 151800 163.887 102.349 -19.9454 102.349 -30.218 -22.3054 -19.9454 -22.3068 -72.5385 GPRESSURE: 151800 187.083 110.278 -18.5997 91.4029 -25.356 -128.423 -4.81386 -61.6901 -11.7351 PRESSAVG: 151800 -39.7615 -1.78027 15.0123 -1.78031 -38.0089 -45.5598 15.0122 -45.5598 41.8415 GPRESSAVG: 151800 -41.0492 -3.00121 16.5992 2.33732 -37.9279 -44.9709 13.9045 -45.3671 42.6264 TIMING: 151800 CPU: 441.475, 0.00290603/step Wall: 441.475, 0.00290603/step, 3.91362 hours remaining, 200.878906 MB of memory in use. ENERGY: 151800 734.5037 2079.1061 1990.9595 95.3162 -206459.5539 17871.6981 0.0000 0.0000 34301.6996 -149386.2706 299.5653 -183687.9702 -149298.9827 298.9740 20.3768 49.9975 558812.2350 -11.9763 -12.1169 PRESSURE: 152000 -253.054 -51.0877 -18.417 -51.0905 -85.5221 -26.0116 -18.417 -26.0114 -298.202 GPRESSURE: 152000 -240.816 -43.6319 -5.16709 -98.5369 -73.7571 -16.4261 -41.4202 -65.7417 -219.957 PRESSAVG: 152000 -9.94992 -33.8141 -15.8178 -33.8141 -9.61318 34.8287 -15.8178 34.8287 37.4273 GPRESSAVG: 152000 -8.97573 -35.1171 -16.2788 -33.6777 -9.65794 35.8659 -15.0071 33.6118 36.1939 TIMING: 152000 CPU: 442.056, 0.00290525/step Wall: 442.056, 0.00290525/step, 3.9124 hours remaining, 200.878906 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: 152000 733.5264 2016.8969 1994.5217 111.1374 -206109.2678 17500.5463 0.0000 0.0000 34184.2176 -149568.4216 298.5393 -183752.6392 -149469.6062 297.8366 -212.2593 -178.1766 558079.7846 5.9547 5.8534 PRESSURE: 152200 130.388 -68.664 111.633 -68.6635 -270.325 163.626 111.634 163.625 -298.61 GPRESSURE: 152200 177.882 -42.1792 104.068 -121.174 -266.198 120.88 95.6346 165.613 -258.374 PRESSAVG: 152200 66.8964 -70.2957 26.5549 -70.2958 -23.194 -15.3015 26.5549 -15.3017 -3.62574 GPRESSAVG: 152200 66.7153 -68.9797 27.0698 -70.7876 -23.8174 -17.4802 28.1524 -13.2343 -3.21627 TIMING: 152200 CPU: 442.64, 0.00291732/step Wall: 442.64, 0.00291732/step, 3.92849 hours remaining, 200.878906 MB of memory in use. ENERGY: 152200 743.7210 2097.5571 1964.0282 125.3569 -206110.1114 17512.9340 0.0000 0.0000 34241.3215 -149425.1928 299.0380 -183666.5143 -149325.6229 298.0504 -146.1826 -115.5633 558282.1527 13.3589 13.2272 LDB: ============= START OF LOAD BALANCING ============== 446.104 LDB: ============== END OF LOAD BALANCING =============== 446.105 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.106 LDB: ============= START OF LOAD BALANCING ============== 446.394 LDB: Largest compute 4820 load 0.031750 is 27.1% of average load 0.117371 LDB: Average compute 0.001740 is 1.5% of average load 0.117371 LDB: TIME 446.397 LOAD: AVG 0.117371 MAX 0.177528 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.391 MB LDB: TIME 446.397 LOAD: AVG 0.117371 MAX 0.177528 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.594 MB LDB: TIME 446.397 LOAD: AVG 0.117371 MAX 0.177528 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.594 MB LDB: ============== END OF LOAD BALANCING =============== 446.399 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 446.403 PRESSURE: 152400 -21.8932 136.977 -53.01 136.977 -351.958 -24.5442 -53.0112 -24.5443 -25.7856 GPRESSURE: 152400 -10.7814 50.2185 -73.9199 115.656 -287.271 49.7462 -119.327 -78.2136 -5.2039 PRESSAVG: 152400 57.4508 -17.4105 29.5226 -17.4106 -23.0703 78.2763 29.5227 78.2763 -24.5351 GPRESSAVG: 152400 56.0534 -16.6605 28.9428 -17.7029 -20.548 80.8803 27.6981 74.6548 -25.4417 TIMING: 152400 CPU: 443.228, 0.00293979/step Wall: 443.228, 0.00293979/step, 3.9586 hours remaining, 200.109375 MB of memory in use. ENERGY: 152400 731.3127 2113.5288 1962.1409 105.5150 -206129.0929 17724.2493 0.0000 0.0000 34163.5236 -149328.8226 298.3585 -183492.3462 -149231.7075 298.0500 -133.2123 -101.0854 558948.5559 3.2818 3.3546 PRESSURE: 152600 -138.354 38.9268 111.002 38.9271 -3.84157 72.0402 111.003 72.0408 -81.5313 GPRESSURE: 152600 -88.7915 -5.05824 142.907 42.1724 9.12595 78.4035 134.893 111.142 -42.4974 PRESSAVG: 152600 5.3612 7.10272 6.66045 7.10276 -16.4146 48.6003 6.66052 48.6002 -16.6196 GPRESSAVG: 152600 5.70921 6.19364 6.3295 6.89597 -18.0621 47.3947 8.51449 50.6294 -15.8229 TIMING: 152600 CPU: 443.804, 0.00288303/step Wall: 443.804, 0.00288303/step, 3.882 hours remaining, 200.109375 MB of memory in use. ENERGY: 152600 738.3880 2120.4405 1932.5283 115.5649 -206100.6637 17699.1572 0.0000 0.0000 34356.0655 -149138.5193 300.0401 -183494.5848 -149036.7886 298.9314 -74.5755 -40.7210 557856.8616 -9.2243 -9.3919 PRESSURE: 152800 -100.13 -52.5166 -144.537 -52.5164 -113.01 -0.548591 -144.537 -0.548532 11.3614 GPRESSURE: 152800 -90.9812 -46.7513 -38.4611 -26.4505 -84.9614 -16.6675 -110.246 -25.7552 66.0989 PRESSAVG: 152800 8.2061 4.41713 -1.54634 4.41714 17.1415 28.7275 -1.54632 28.7274 -19.2255 GPRESSAVG: 152800 9.31322 5.51993 -1.77459 4.98949 18.0939 30.5196 -2.17149 26.9673 -21.2013 TIMING: 152800 CPU: 444.381, 0.00288258/step Wall: 444.381, 0.00288258/step, 3.88124 hours remaining, 200.109375 MB of memory in use. ENERGY: 152800 749.3613 2030.0692 1980.0699 115.0339 -206182.0954 17778.5566 0.0000 0.0000 34248.1548 -149280.8496 299.0977 -183529.0044 -149190.7352 298.9590 -67.2595 -36.6145 557394.7307 2.0407 2.0686 PRESSURE: 153000 -80.1936 -185.262 85.1421 -185.263 82.7647 160.127 85.1408 160.126 -114.726 GPRESSURE: 153000 -71.1577 -235.478 73.5297 -143.921 134.938 138.402 99.8264 81.5304 -85.2913 PRESSAVG: 153000 26.1625 -2.71114 12.8961 -2.71102 28.017 6.13878 12.8959 6.13873 -81.6772 GPRESSAVG: 153000 26.2822 -3.49172 10.6805 -2.78429 27.8532 4.82872 12.7131 7.09776 -81.5118 TIMING: 153000 CPU: 444.955, 0.00287319/step Wall: 444.955, 0.00287319/step, 3.86843 hours remaining, 200.109375 MB of memory in use. ENERGY: 153000 739.6911 2029.5313 1989.7673 116.7731 -206428.3320 17906.9948 0.0000 0.0000 34322.8318 -149322.7426 299.7498 -183645.5743 -149226.5723 299.4395 -37.3849 -7.1702 558489.5293 -9.1659 -9.1254 PRESSURE: 153200 -298.583 -91.1737 43.765 -91.1738 -19.5874 -43.6613 43.7646 -43.6601 -142.831 GPRESSURE: 153200 -236.909 -124.229 142.868 -68.2806 -29.7626 -39.8162 -33.9875 -11.12 -94.9183 PRESSAVG: 153200 -32.5457 -38.0407 32.3606 -38.0406 53.1114 35.9972 32.3606 35.9973 5.64495 GPRESSAVG: 153200 -31.3176 -38.367 35.7334 -36.0704 52.916 36.2025 30.5638 36.7284 5.03769 TIMING: 153200 CPU: 445.531, 0.00287784/step Wall: 445.531, 0.00287784/step, 3.87453 hours remaining, 200.109375 MB of memory in use. ENERGY: 153200 758.4966 2084.3980 1999.4010 104.9548 -206538.1674 17798.1270 0.0000 0.0000 34364.2960 -149428.4940 300.1119 -183792.7900 -149338.1620 298.9874 -153.6672 -120.5301 560500.1181 8.7369 8.8787 PRESSURE: 153400 -18.1258 6.91285 211.936 6.913 56.3058 74.5831 211.935 74.5846 168.23 GPRESSURE: 153400 30.8756 -54.9849 185.127 0.461829 61.0003 95.1668 203.347 159.412 205.619 PRESSAVG: 153400 -49.6558 -18.064 21.2223 -18.0641 51.9994 53.064 21.2223 53.064 -44.2833 GPRESSAVG: 153400 -50.6969 -17.7112 19.3129 -18.637 52.216 53.1 21.8698 51.3295 -43.4201 TIMING: 153400 CPU: 446.107, 0.00288151/step Wall: 446.107, 0.00288151/step, 3.87932 hours remaining, 200.109375 MB of memory in use. ENERGY: 153400 745.2203 2060.7739 1995.1792 107.4946 -206616.8021 17976.2249 0.0000 0.0000 34193.5142 -149538.3951 298.6205 -183731.9093 -149439.8880 298.6237 68.8034 99.1650 558204.2518 -13.9799 -13.9670 PRESSURE: 153600 110.934 -18.0001 152.531 -17.9997 87.8014 173.391 152.531 173.391 -78.5913 GPRESSURE: 153600 73.9687 3.53512 16.7102 39.9784 131.356 83.9729 117.955 159.416 16.6 PRESSAVG: 153600 27.0497 3.4934 20.6909 3.49341 23.0719 18.5936 20.6909 18.5936 -54.821 GPRESSAVG: 153600 26.3081 3.70669 20.4351 2.45499 23.3099 18.6012 20.229 19.4709 -54.5851 TIMING: 153600 CPU: 446.687, 0.00289822/step Wall: 446.687, 0.00289822/step, 3.90164 hours remaining, 200.109375 MB of memory in use. ENERGY: 153600 754.6561 2126.3167 1995.8201 115.0282 -206542.4241 18029.0645 0.0000 0.0000 34259.5466 -149261.9919 299.1971 -183521.5384 -149172.9330 297.9873 40.0480 73.9750 558747.5898 -1.5665 -1.6557 PRESSURE: 153800 82.4291 39.8829 -82.2421 39.8836 74.2069 -19.208 -82.2404 -19.2083 -109.036 GPRESSURE: 153800 84.4026 23.842 -63.5623 57.0686 74.1164 54.0317 -60.6273 8.88253 -30.0491 PRESSAVG: 153800 -4.65067 13.4987 35.7289 13.4986 71.1306 64.2109 35.7289 64.2109 -17.9739 GPRESSAVG: 153800 -4.22284 14.7524 36.3433 14.3365 72.0809 65.316 36.2583 63.0298 -19.377 TIMING: 153800 CPU: 447.265, 0.00289058/step Wall: 447.265, 0.00289058/step, 3.8912 hours remaining, 200.109375 MB of memory in use. ENERGY: 153800 781.6320 2136.9085 1983.3437 114.9487 -206302.3845 17880.8327 0.0000 0.0000 34155.2253 -149249.4937 298.2861 -183404.7190 -149158.9696 299.2081 15.8665 42.8233 557235.8950 16.1687 16.1604 PRESSURE: 154000 -101.178 -33.0759 114.152 -33.0753 225.75 208.91 114.151 208.909 -23.2973 GPRESSURE: 154000 -84.9228 -71.2033 165.385 -6.768 190.065 149.385 59.8938 230.283 94.2428 PRESSAVG: 154000 27.2152 8.67519 -2.46133 8.67512 41.5277 -27.1701 -2.46126 -27.17 -65.6656 GPRESSAVG: 154000 27.2859 7.29242 -3.61275 9.46695 40.8765 -26.6628 -0.263997 -24.147 -64.8108 TIMING: 154000 CPU: 447.841, 0.00288083/step Wall: 447.841, 0.00288083/step, 3.87792 hours remaining, 200.109375 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: 154000 722.2519 2089.9871 1988.9306 106.5964 -206362.4595 17812.4900 0.0000 0.0000 34531.1338 -149111.0697 301.5690 -183642.2035 -149011.8001 299.3161 33.7582 66.4617 557477.4500 1.0258 1.1172 PRESSURE: 154200 -168.655 -25.3862 33.4178 -25.3863 44.917 -2.49052 33.4187 -2.4899 -40.2181 GPRESSURE: 154200 -91.5953 -10.5465 19.2583 -62.8767 68.7731 -5.17479 28.8111 64.2075 -35.6873 PRESSAVG: 154200 -52.0195 1.88597 -28.0493 1.88596 40.0499 3.55367 -28.0493 3.55367 -28.9189 GPRESSAVG: 154200 -50.6537 0.852563 -30.0599 -0.0665226 39.6526 3.60673 -29.4147 1.85915 -29.8959 TIMING: 154200 CPU: 448.422, 0.00290186/step Wall: 448.422, 0.00290186/step, 3.90607 hours remaining, 200.109375 MB of memory in use. ENERGY: 154200 751.5678 2118.0879 1945.7556 125.7059 -206181.4645 17798.1288 0.0000 0.0000 34365.2916 -149076.9268 300.1206 -183442.2183 -148975.4155 299.3754 -54.6522 -19.5032 558216.9890 -13.6295 -13.6324 PRESSURE: 154400 36.7177 -63.9664 -16.3529 -63.968 117.343 139.823 -16.3531 139.823 -163.704 GPRESSURE: 154400 57.1191 -60.5098 -23.17 -77.3792 133.79 127.861 -64.2619 165.242 -100.597 PRESSAVG: 154400 10.3115 27.9631 -10.1861 27.963 28.1902 -11.715 -10.1861 -11.715 -31.133 GPRESSAVG: 154400 8.5534 28.2862 -7.51062 28.3691 28.3399 -13.2681 -8.2419 -10.4795 -29.5767 TIMING: 154400 CPU: 449.005, 0.0029181/step Wall: 449.005, 0.0029181/step, 3.92776 hours remaining, 200.109375 MB of memory in use. ENERGY: 154400 784.8042 2097.2250 1990.5293 118.1263 -206396.8867 17914.6878 0.0000 0.0000 34279.5685 -149211.9456 299.3720 -183491.5141 -149115.3558 299.1514 -3.2142 30.1040 556479.4452 2.4562 2.4389 PRESSURE: 154600 -106.07 40.4257 122.294 40.4264 -82.1073 -85.3596 122.294 -85.3599 52.3987 GPRESSURE: 154600 -90.4071 8.82489 152.311 51.3412 -52.1131 -41.0714 81.1909 -98.9891 108.536 PRESSAVG: 154600 -26.8678 51.2768 -29.9116 51.2768 28.4322 -13.7974 -29.9116 -13.7974 -29.2063 GPRESSAVG: 154600 -26.0287 50.7876 -30.0825 51.3615 27.985 -13.3399 -32.0773 -13.5007 -30.2359 TIMING: 154600 CPU: 449.585, 0.00290032/step Wall: 449.585, 0.00290032/step, 3.90367 hours remaining, 200.109375 MB of memory in use. ENERGY: 154600 700.1207 2081.5873 1969.1068 121.9499 -206130.3755 17822.8072 0.0000 0.0000 34303.8691 -149130.9345 299.5842 -183434.8036 -149030.7865 299.8191 -45.2594 -11.3280 559631.3701 -9.2140 -9.4265 PRESSURE: 154800 -113.946 -27.5254 -54.231 -27.5248 -113.084 -9.406 -54.2307 -9.40701 -168.778 GPRESSURE: 154800 -94.1071 -84.6354 -5.75955 -7.08695 -98.5633 9.00994 -92.4979 -49.1623 -96.0185 PRESSAVG: 154800 49.0876 48.4206 4.99873 48.4206 -2.27214 -46.1024 4.99872 -46.1023 19.7718 GPRESSAVG: 154800 49.3144 48.9585 5.15593 48.9311 -2.63691 -46.0721 6.28904 -48.4996 20.1729 TIMING: 154800 CPU: 450.166, 0.00290406/step Wall: 450.166, 0.00290406/step, 3.90854 hours remaining, 200.109375 MB of memory in use. ENERGY: 154800 785.6628 2053.9809 2010.0189 111.4867 -206095.4029 17673.5982 0.0000 0.0000 34151.8529 -149308.8025 298.2566 -183460.6554 -149218.1134 298.8002 -131.9359 -96.2296 558164.7288 22.1957 22.2834 PRESSURE: 155000 322.371 27.9385 -70.4522 27.9388 118.375 -41.3499 -70.4522 -41.3516 39.7387 GPRESSURE: 155000 333.8 50.6492 -174.7 -19.7223 123.711 -95.4333 -30.2609 61.9213 102.909 PRESSAVG: 155000 -1.14116 69.2882 12.5407 69.2883 -29.8626 -9.65861 12.5407 -9.65857 3.84806 GPRESSAVG: 155000 -1.78802 68.3573 11.9055 70.9691 -28.9404 -9.88315 10.9518 -8.28831 3.4969 TIMING: 155000 CPU: 450.744, 0.00289217/step Wall: 450.744, 0.00289217/step, 3.89238 hours remaining, 200.109375 MB of memory in use. ENERGY: 155000 747.8706 2017.4670 1971.2299 108.4024 -206549.1093 18249.0598 0.0000 0.0000 34272.2276 -149182.8521 299.3079 -183455.0796 -149082.4515 298.7608 160.1614 186.8070 559391.6784 -9.0519 -9.0772 PRESSURE: 155200 -76.2797 -83.2243 -61.1732 -83.2261 150.014 80.673 -61.1755 80.6728 120.611 GPRESSURE: 155200 -66.3825 -99.4389 -43.3876 -5.55183 250.792 109.528 1.94706 44.4469 96.5222 PRESSAVG: 155200 2.3043 2.34708 -65.4743 2.34718 65.2349 1.24144 -65.4742 1.24137 -62.5864 GPRESSAVG: 155200 1.56386 4.28049 -66.3165 -0.844206 64.8141 2.36887 -64.9009 0.107707 -61.5028 TIMING: 155200 CPU: 451.322, 0.00288668/step Wall: 451.322, 0.00288668/step, 3.88483 hours remaining, 200.109375 MB of memory in use. ENERGY: 155200 721.0241 2097.1249 1956.4078 124.4901 -206337.8320 18044.5861 0.0000 0.0000 34237.5485 -149156.6506 299.0050 -183394.1991 -149064.1318 298.9467 64.7819 93.6437 559349.7530 1.6509 1.6250 PRESSURE: 155400 -244.291 26.2566 -38.0187 26.256 -16.348 -160.479 -38.0203 -160.481 -225.164 GPRESSURE: 155400 -154.773 1.37995 25.3069 87.5518 -9.84728 -238.19 12.1183 -84.2087 -216.353 PRESSAVG: 155400 27.1662 48.8556 2.44353 48.8556 2.29384 51.8747 2.44351 51.8747 -73.7555 GPRESSAVG: 155400 28.5697 46.2264 3.52958 52.0603 2.7899 51.3786 2.53338 54.6243 -75.1715 TIMING: 155400 CPU: 451.899, 0.00288382/step Wall: 451.899, 0.00288382/step, 3.88082 hours remaining, 200.109375 MB of memory in use. ENERGY: 155400 761.1724 2090.1519 1983.0590 109.4391 -206022.2350 17645.1794 0.0000 0.0000 34194.7685 -149238.4647 298.6314 -183433.2332 -149143.4002 298.8115 -161.9344 -126.9910 559106.6909 -14.7652 -14.6040 PRESSURE: 155600 107.453 -4.02336 214.48 -4.02419 53.1705 -75.595 214.48 -75.5958 242.779 GPRESSURE: 155600 146.818 -29.33 215.862 -50.8369 112.575 -128.793 222.934 -49.2653 234.946 PRESSAVG: 155600 48.7143 15.7144 -11.9915 15.7144 40.8753 61.352 -11.9915 61.352 -47.7276 GPRESSAVG: 155600 49.0425 15.8029 -14.9731 14.5793 40.4901 61.0204 -10.4623 60.5756 -47.0015 TIMING: 155600 CPU: 452.485, 0.00293446/step Wall: 452.485, 0.00293446/step, 3.94881 hours remaining, 200.109375 MB of memory in use. ENERGY: 155600 734.3130 2081.9433 1972.2215 127.5455 -206184.3283 17929.6960 0.0000 0.0000 34221.2095 -149117.3995 298.8623 -183338.6090 -149015.7386 298.7097 134.4677 164.7795 558289.4790 13.9540 14.1770 PRESSURE: 155800 -143.33 -195.614 -152.586 -195.614 174.275 42.7586 -152.586 42.76 279.784 GPRESSURE: 155800 -86.2279 -221.508 -192.206 -175.661 192.108 9.29359 -90.9465 27.7978 305.564 PRESSAVG: 155800 10.1749 -18.3741 -20.4013 -18.374 -6.12889 7.43149 -20.4013 7.43153 -4.38544 GPRESSAVG: 155800 10.2452 -15.7591 -16.7391 -19.1377 -5.97759 6.60744 -21.4658 8.69831 -5.23854 TIMING: 155800 CPU: 453.07, 0.00292181/step Wall: 453.07, 0.00292181/step, 3.93162 hours remaining, 200.109375 MB of memory in use. ENERGY: 155800 716.8707 2067.8469 1996.8769 122.1524 -206251.7712 17900.0005 0.0000 0.0000 34268.3112 -149179.7124 299.2737 -183448.0237 -149080.1144 299.2923 103.5763 137.1480 557375.1063 -0.1131 -0.3236 PRESSURE: 156000 138.398 214.807 119.769 214.808 -3.17851 -123.876 119.768 -123.876 202.991 GPRESSURE: 156000 137.154 148.878 201.209 268.61 69.4443 -93.5746 64.4921 -124.201 221.228 PRESSAVG: 156000 -27.4156 1.33479 -47.4977 1.33478 -0.826326 -32.9341 -47.4977 -32.9341 56.1599 GPRESSAVG: 156000 -28.4991 1.56185 -46.7123 0.657568 -0.432927 -30.1936 -49.4998 -36.5316 56.6574 TIMING: 156000 CPU: 453.654, 0.00292037/step Wall: 453.654, 0.00292037/step, 3.92952 hours remaining, 200.109375 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: 156000 727.5951 2072.4372 1970.4834 99.5987 -206315.8632 17969.8203 0.0000 0.0000 34315.5732 -149160.3553 299.6864 -183475.9285 -149061.5196 298.6164 112.7367 142.6087 556637.9293 9.3060 9.2418 PRESSURE: 156200 -120.528 162.861 42.1436 162.861 -277.881 -15.6288 42.1436 -15.6283 -240.339 GPRESSURE: 156200 -111.133 74.2429 63.0277 262.4 -235.524 -3.25739 21.7357 -46.2658 -189.453 PRESSAVG: 156200 40.0471 72.6066 67.0141 72.6066 -37.6314 -8.03019 67.0141 -8.03015 30.2841 GPRESSAVG: 156200 40.8061 70.9591 65.8849 75.9343 -38.025 -9.58251 67.8634 -6.10041 30.0807 TIMING: 156200 CPU: 454.229, 0.0028762/step Wall: 454.229, 0.0028762/step, 3.86992 hours remaining, 200.109375 MB of memory in use. ENERGY: 156200 732.4539 2080.1042 1982.9598 112.5362 -205650.8355 17449.4336 0.0000 0.0000 34223.7513 -149069.5965 298.8845 -183293.3478 -148975.7547 298.9982 -212.9159 -178.7034 557858.9414 10.8999 10.9540 LDB: ============= START OF LOAD BALANCING ============== 457.692 LDB: ============== END OF LOAD BALANCING =============== 457.692 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 457.693 LDB: ============= START OF LOAD BALANCING ============== 457.98 LDB: Largest compute 4820 load 0.031496 is 26.8% of average load 0.117375 LDB: Average compute 0.001725 is 1.5% of average load 0.117375 LDB: TIME 457.982 LOAD: AVG 0.117375 MAX 0.178178 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.488 MB LDB: TIME 457.983 LOAD: AVG 0.117375 MAX 0.178178 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.488 MB LDB: TIME 457.983 LOAD: AVG 0.117375 MAX 0.178178 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 457.984 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 457.988 PRESSURE: 156400 303.334 275.409 124.63 275.408 -9.30112 25.5033 124.629 25.5038 66.2621 GPRESSURE: 156400 339.965 277.597 83.7072 318.596 24.1192 12.0402 190.031 60.7396 94.3775 PRESSAVG: 156400 19.1817 38.546 -30.7373 38.546 -9.756 -28.9239 -30.7374 -28.924 4.90211 GPRESSAVG: 156400 18.3168 37.8142 -31.4148 36.5987 -8.37161 -26.8364 -29.5513 -29.427 4.52406 TIMING: 156400 CPU: 454.813, 0.00291971/step Wall: 454.813, 0.00291971/step, 3.92831 hours remaining, 200.679688 MB of memory in use. ENERGY: 156400 744.6095 2060.0838 1974.5811 114.1608 -206078.8564 17873.7904 0.0000 0.0000 34224.7668 -149086.8639 298.8934 -183311.6307 -148991.3717 299.6092 120.0983 152.8204 557473.1103 4.7759 4.8231 PRESSURE: 156600 -135.311 3.05827 97.6208 3.05783 -336.096 72.5686 97.6208 72.5697 -198.362 GPRESSURE: 156600 -65.4251 0.681928 109.01 80.3287 -312.888 77.1489 169.198 99.4041 -193.062 PRESSAVG: 156600 -70.4574 17.2653 68.7154 17.2652 18.0144 17.7075 68.7155 17.7076 43.1003 GPRESSAVG: 156600 -70.1841 18.6345 68.9147 17.4145 17.7508 16.9078 67.4851 17.6909 42.789 TIMING: 156600 CPU: 455.394, 0.0029038/step Wall: 455.394, 0.0029038/step, 3.90674 hours remaining, 200.882812 MB of memory in use. ENERGY: 156600 761.3178 2046.7683 1970.3353 118.2468 -206135.1315 17737.9582 0.0000 0.0000 34188.2410 -149312.2641 298.5744 -183500.5051 -149203.7430 298.7325 -223.2561 -190.4583 559259.3517 -3.1142 -3.2148 PRESSURE: 156800 54.8103 -17.0449 157.556 -17.0459 64.3801 35.4208 157.556 35.4222 202.848 GPRESSURE: 156800 61.4638 -56.9836 154.525 25.6833 116.019 85.4388 88.2427 35.9595 238.619 PRESSAVG: 156800 55.6225 4.21515 20.1866 4.21512 -0.862668 23.4453 20.1865 23.4453 -19.0402 GPRESSAVG: 156800 55.1028 4.24713 20.5492 3.63831 -2.26944 22.0758 19.7871 24.8242 -17.6841 TIMING: 156800 CPU: 455.971, 0.00288818/step Wall: 455.971, 0.00288818/step, 3.88557 hours remaining, 200.882812 MB of memory in use. ENERGY: 156800 754.4498 2063.8470 1987.8728 125.5293 -206523.7826 18086.1768 0.0000 0.0000 34250.2298 -149255.6770 299.1158 -183505.9068 -149166.0357 298.8950 107.3461 138.7006 558872.5381 11.9066 11.7164 PRESSURE: 157000 -179.493 120.41 95.0001 120.412 -148.286 -25.8509 94.9991 -25.8516 -240.004 GPRESSURE: 157000 -136.685 207.72 6.65696 -1.44161 -118.853 -23.6097 89.1011 -71.8126 -205.126 PRESSAVG: 157000 -25.187 45.9617 2.39686 45.9618 3.22953 -16.4295 2.39687 -16.4294 9.31798 GPRESSAVG: 157000 -25.17 45.8065 1.49323 46.3198 4.07422 -17.1483 1.95335 -17.4681 8.94708 TIMING: 157000 CPU: 456.551, 0.00289583/step Wall: 456.551, 0.00289583/step, 3.89569 hours remaining, 200.882812 MB of memory in use. ENERGY: 157000 735.8761 2024.8789 1990.1321 116.5336 -205873.1449 17618.8632 0.0000 0.0000 34041.6161 -149345.2449 297.2939 -183386.8610 -149247.6240 298.5940 -189.2610 -153.5546 558508.6504 -4.2132 -4.0496 PRESSURE: 157200 176.418 82.5315 -183.731 82.5311 240.904 -54.2693 -183.731 -54.271 147.552 GPRESSURE: 157200 242.909 27.0994 -122.584 125.044 301.957 -109.357 -160.816 -115.879 109.534 PRESSAVG: 157200 -2.61306 32.7182 -55.1209 32.7182 1.29629 49.2776 -55.1208 49.2775 -34.0458 GPRESSAVG: 157200 -1.66583 34.5049 -50.804 31.3434 1.27546 47.2351 -55.3998 50.786 -35.5234 TIMING: 157200 CPU: 457.128, 0.00288802/step Wall: 457.128, 0.00288802/step, 3.88503 hours remaining, 200.882812 MB of memory in use. ENERGY: 157200 719.8339 2088.8831 1975.3590 114.9053 -206447.5437 18230.6630 0.0000 0.0000 34094.1519 -149223.7475 297.7527 -183317.8994 -149120.9852 298.1274 188.2914 218.1332 557990.5605 -11.7875 -11.9712 PRESSURE: 157400 -127.581 58.2484 19.3428 58.2483 123.629 80.014 19.3425 80.0127 -197.551 GPRESSURE: 157400 -98.8097 86.3619 -7.89196 53.5906 139.751 136.807 79.5907 129.579 -149.108 PRESSAVG: 157400 -24.807 -8.58667 -39.8331 -8.58663 10.4702 40.1131 -39.833 40.1131 18.9842 GPRESSAVG: 157400 -26.6052 -9.32285 -41.1433 -9.66947 10.5049 40.8608 -39.8022 40.4193 20.8085 TIMING: 157400 CPU: 457.705, 0.00288497/step Wall: 457.705, 0.00288497/step, 3.88076 hours remaining, 200.882812 MB of memory in use. ENERGY: 157400 783.7840 2067.0365 1983.6826 114.6228 -206000.3730 17907.5568 0.0000 0.0000 34139.6257 -149004.0645 298.1498 -183143.6902 -148907.9006 298.2684 -67.1676 -36.0553 558601.4599 1.5491 1.5694 PRESSURE: 157600 -151.776 35.9218 75.9894 35.9236 -179.4 -148.166 75.9905 -148.167 -198.97 GPRESSURE: 157600 -96.9816 41.7149 155.676 20.2471 -128.124 -140.688 31.1351 -148.253 -207.749 PRESSAVG: 157600 -59.4013 -13.0579 36.0006 -13.0579 -3.99245 -24.0074 36.0007 -24.0074 13.0663 GPRESSAVG: 157600 -58.8758 -15.8804 33.1916 -9.35231 -3.54503 -24.034 38.4282 -23.4352 12.1174 TIMING: 157600 CPU: 458.285, 0.00289785/step Wall: 458.285, 0.00289785/step, 3.89793 hours remaining, 200.882812 MB of memory in use. ENERGY: 157600 744.3964 2070.6575 1971.6139 111.8344 -205866.7081 17885.0585 0.0000 0.0000 33980.2279 -149102.9195 296.7578 -183083.1474 -149005.7638 298.5759 -176.7154 -144.2848 561199.9838 -16.7758 -16.7678 PRESSURE: 157800 0.238974 22.9345 -97.4503 22.9356 -178.244 -12.7056 -97.4503 -12.7064 28.5883 GPRESSURE: 157800 -16.1751 74.4244 -127.548 17.0352 -190.382 -55.7056 -118.653 -10.5857 151.651 PRESSAVG: 157800 15.9966 17.1464 17.6566 17.1465 -6.23417 11.6234 17.6567 11.6234 8.97105 GPRESSAVG: 157800 15.4684 18.9798 19.1696 15.8438 -6.49945 14.3917 16.8129 9.34615 9.23591 TIMING: 157800 CPU: 458.866, 0.00290458/step Wall: 458.866, 0.00290458/step, 3.90682 hours remaining, 200.882812 MB of memory in use. ENERGY: 157800 707.5453 2084.1070 1979.4461 114.6502 -205757.2863 17592.7797 0.0000 0.0000 34027.3531 -149251.4050 297.1693 -183278.7580 -149152.3715 298.8568 -49.8056 -18.3017 560170.5478 6.2445 6.0683 PRESSURE: 158000 -47.7366 75.3017 -42.9677 75.3014 -176.935 61.9063 -42.9675 61.9067 -20.2701 GPRESSURE: 158000 20.1584 67.5792 -87.4216 83.6622 -159.371 26.744 -9.60877 68.6776 -5.01245 PRESSAVG: 158000 28.5721 38.7599 -1.73042 38.7599 5.84376 1.16356 -1.73044 1.16358 -48.3053 GPRESSAVG: 158000 28.336 38.9075 -2.71345 38.4382 6.31608 0.321467 -1.49917 0.274122 -49.1042 TIMING: 158000 CPU: 459.447, 0.00290514/step Wall: 459.447, 0.00290514/step, 3.90741 hours remaining, 200.882812 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: 158000 764.6447 2052.3394 1979.3609 121.0373 -206195.4543 17947.9127 0.0000 0.0000 34175.5495 -149154.6097 298.4636 -183330.1593 -149060.9275 298.2470 -81.6473 -48.0751 559328.8832 -4.6298 -4.8174 PRESSURE: 158200 -497.72 64.6251 87.6166 64.6241 -331.008 69.515 87.6165 69.5172 -426.511 GPRESSURE: 158200 -374.641 112.174 195.7 42.3477 -356.772 46.0179 28.4886 61.3705 -424.545 PRESSAVG: 158200 -103.909 51.4184 -5.84362 51.4184 44.917 27.4182 -5.84364 27.4181 51.9694 GPRESSAVG: 158200 -102.621 51.769 -7.04921 49.9194 43.7612 26.2529 -6.41302 28.9631 51.5174 TIMING: 158200 CPU: 460.023, 0.00288348/step Wall: 460.023, 0.00288348/step, 3.87812 hours remaining, 201.183594 MB of memory in use. ENERGY: 158200 775.7164 2076.6661 1978.0260 102.5976 -205509.0963 17201.8944 0.0000 0.0000 34160.9805 -149213.2152 298.3363 -183374.1957 -149116.8714 298.9282 -418.4130 -385.3191 559937.9941 -2.3408 -2.4475 PRESSURE: 158400 91.0063 24.1484 80.1992 24.1495 54.7753 -61.6431 80.2002 -61.6439 -9.00143 GPRESSURE: 158400 134.209 81.5039 37.9495 -49.9433 140.198 -23.1409 139.116 -119.663 -23.7165 PRESSAVG: 158400 -42.0012 18.5467 58.3659 18.5467 23.0241 -12.3014 58.3659 -12.3014 -16.0063 GPRESSAVG: 158400 -43.5589 18.5585 58.9993 20.5532 23.7612 -10.9735 57.9346 -12.6657 -15.243 TIMING: 158400 CPU: 460.606, 0.0029107/step Wall: 460.606, 0.0029107/step, 3.91457 hours remaining, 201.183594 MB of memory in use. ENERGY: 158400 728.3432 2085.5208 1980.7628 108.5785 -206200.9563 17937.4117 0.0000 0.0000 34245.3674 -149114.9718 299.0733 -183360.3392 -149008.6505 299.2872 45.5934 83.5634 557049.4161 -11.6611 -11.6802 PRESSURE: 158600 -307.88 17.7102 -137.808 17.711 -20.5817 87.9871 -137.807 87.9871 -10.1055 GPRESSURE: 158600 -234.053 -30.2674 -129.101 22.1704 32.1646 74.7748 -136.907 91.1028 -40.0465 PRESSAVG: 158600 -0.420832 -13.7772 9.40065 -13.7772 -6.72273 -3.43202 9.40067 -3.43204 -11.1143 GPRESSAVG: 158600 0.703489 -13.2377 10.0254 -15.6876 -7.33671 -4.83216 8.85517 -3.3733 -11.4052 TIMING: 158600 CPU: 461.186, 0.00290264/step Wall: 461.186, 0.00290264/step, 3.90357 hours remaining, 201.183594 MB of memory in use. ENERGY: 158600 703.9852 2013.2798 1982.0270 114.8681 -205856.9400 17681.9542 0.0000 0.0000 34142.3194 -149218.5062 298.1734 -183360.8256 -149124.5563 298.9108 -112.8557 -80.6450 557802.1283 -6.0860 -6.0128 PRESSURE: 158800 -12.7629 -90.5816 64.034 -90.5812 -40.8958 -50.8414 64.0346 -50.842 -171.698 GPRESSURE: 158800 0.515237 -112.394 82.393 -84.554 -45.8033 -93.0082 33.5555 8.53502 -85.6933 PRESSAVG: 158800 4.17138 -7.66976 -11.6602 -7.66986 27.1101 -70.3806 -11.6602 -70.3806 -4.98779 GPRESSAVG: 158800 4.37107 -10.2492 -12.5392 -7.13759 25.7557 -69.0148 -9.94871 -70.8658 -3.36165 TIMING: 158800 CPU: 461.764, 0.00288736/step Wall: 461.764, 0.00288736/step, 3.88285 hours remaining, 201.183594 MB of memory in use. ENERGY: 158800 736.1537 2069.6087 2007.5386 117.5422 -205923.7604 17748.7676 0.0000 0.0000 34149.4574 -149094.6921 298.2357 -183244.1495 -148996.9614 298.7862 -75.1190 -43.6605 559828.6105 8.7646 8.9217 PRESSURE: 159000 -204.815 63.8537 11.3512 63.8536 -27.5055 -88.5564 11.3511 -88.5554 -138.597 GPRESSURE: 159000 -117.137 86.563 -81.9973 132.839 47.589 -86.8485 10.2833 -54.5603 -196.39 PRESSAVG: 159000 70.0264 -34.1287 27.6573 -34.1287 10.4502 20.0503 27.6572 20.0503 -45.7442 GPRESSAVG: 159000 69.6101 -32.5285 24.867 -34.1886 12.2502 20.2582 29.1802 20.4463 -48.0399 TIMING: 159000 CPU: 462.342, 0.00289155/step Wall: 462.342, 0.00289155/step, 3.88833 hours remaining, 201.183594 MB of memory in use. ENERGY: 159000 726.4596 2055.8178 2000.7609 101.0006 -205747.3711 17499.9550 0.0000 0.0000 34254.4394 -149108.9378 299.1525 -183363.3772 -149010.9153 298.8668 -123.6391 -88.6460 558787.5959 11.5775 11.2735 PRESSURE: 159200 -59.908 86.7203 -35.5502 86.7184 236.983 -15.6998 -35.549 -15.7001 285.891 GPRESSURE: 159200 -38.9914 115.396 29.328 25.2613 282.674 -21.536 13.8197 50.1808 322.048 PRESSAVG: 159200 -25.1738 -29.9798 43.3215 -29.9799 50.9409 30.3106 43.3214 30.3106 -15.6302 GPRESSAVG: 159200 -25.486 -30.21 44.8112 -31.1069 50.3414 31.0338 42.5722 27.5466 -15.229 TIMING: 159200 CPU: 462.924, 0.00290907/step Wall: 462.924, 0.00290907/step, 3.91172 hours remaining, 201.183594 MB of memory in use. ENERGY: 159200 730.8569 2035.0693 1961.8305 128.3925 -206286.7044 17988.5663 0.0000 0.0000 34205.7366 -149236.2524 298.7272 -183441.9890 -149142.0985 297.9989 154.3219 188.5770 557098.0314 3.3790 3.2088 PRESSURE: 159400 -18.8853 -119.149 4.86714 -119.148 56.1815 101.731 4.86797 101.731 -51.298 GPRESSURE: 159400 13.4749 -175.373 -4.81471 -98.6636 98.7342 74.825 -42.2807 121.411 -9.3156 PRESSAVG: 159400 -23.2902 -35.4216 -46.3593 -35.4216 62.2832 22.7405 -46.3594 22.7406 -14.5286 GPRESSAVG: 159400 -23.9253 -36.1197 -44.616 -34.008 62.1349 22.6801 -47.5991 23.593 -12.9946 TIMING: 159400 CPU: 463.506, 0.00291124/step Wall: 463.506, 0.00291124/step, 3.91448 hours remaining, 201.183594 MB of memory in use. ENERGY: 159400 761.6461 2056.4151 1973.1583 116.7187 -206560.2521 17953.0315 0.0000 0.0000 34266.5808 -149432.7016 299.2586 -183699.2824 -149330.5218 298.5781 -4.6673 34.2979 557417.6355 8.1548 8.4050 PRESSURE: 159600 138.169 146.079 23.1551 146.079 89.5414 142.169 23.1547 142.17 261.949 GPRESSURE: 159600 136.659 79.0412 -9.6217 162.646 169.465 162.704 -8.28665 150.324 274.993 PRESSAVG: 159600 -52.0678 -17.9665 36.9356 -17.9664 8.18318 106.995 36.9357 106.995 48.3133 GPRESSAVG: 159600 -51.5952 -18.1185 36.9363 -18.9995 8.53914 104.053 36.1181 107.961 46.8854 TIMING: 159600 CPU: 464.089, 0.00291534/step Wall: 464.089, 0.00291534/step, 3.91983 hours remaining, 201.183594 MB of memory in use. ENERGY: 159600 775.5552 2074.9247 1965.0457 115.0120 -206534.6932 18235.5275 0.0000 0.0000 34113.6769 -149254.9511 297.9232 -183368.6281 -149160.5100 298.5633 163.2199 193.7059 558587.1704 1.4762 1.2764 PRESSURE: 159800 83.7381 -82.2446 -212.181 -82.2446 286.449 -11.3944 -212.181 -11.3944 325.508 GPRESSURE: 159800 134.824 -55.5397 -161.776 -22.1833 293.789 -13.0806 -186.726 -67.9964 363.445 PRESSAVG: 159800 -31.7633 9.52979 -19.9137 9.52984 56.1253 -30.6693 -19.9137 -30.6692 -9.09126 GPRESSAVG: 159800 -32.1441 10.2404 -19.4568 12.5784 55.669 -30.1745 -19.9406 -28.3043 -8.27402 TIMING: 159800 CPU: 464.668, 0.00289523/step Wall: 464.668, 0.00289523/step, 3.89264 hours remaining, 201.183594 MB of memory in use. ENERGY: 159800 744.6959 2080.7397 1959.7636 111.4323 -206658.1884 18211.3792 0.0000 0.0000 34437.9767 -149112.2011 300.7554 -183550.1778 -149022.4380 299.0623 231.8981 264.0191 558398.0368 5.0903 5.0836 PRESSURE: 160000 -26.607 -72.281 19.8569 -72.2821 -84.2601 139.635 19.8577 139.635 111.419 GPRESSURE: 160000 21.9182 -153.887 -45.5374 -20.7669 -79.058 131.263 32.2977 154.556 143.17 PRESSAVG: 160000 -1.40848 -27.5283 -18.4137 -27.5283 5.42006 -3.70429 -18.4137 -3.70429 18.4813 GPRESSAVG: 160000 -2.09127 -27.8432 -18.6758 -28.0288 5.23641 -2.23645 -18.1192 -3.96181 19.554 TIMING: 160000 CPU: 465.251, 0.00291326/step Wall: 465.251, 0.00291326/step, 3.91672 hours remaining, 201.253906 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: 160000 752.2603 2100.7885 1993.4227 112.8382 -206103.1955 17882.4221 0.0000 0.0000 34338.8993 -148922.5644 299.8901 -183261.4637 -148827.8625 300.0553 0.1840 28.6766 558040.6568 7.4976 7.5664 PRESSURE: 160200 -222.688 30.574 -34.2279 30.5735 212.702 -89.8583 -34.2272 -89.8583 -134.125 GPRESSURE: 160200 -174.909 17.1642 -47.986 -36.6082 211.283 -73.5758 35.0192 -95.498 -93.4986 PRESSAVG: 160200 -13.5735 -55.425 -32.5392 -55.425 29.5565 -41.2047 -32.5391 -41.2046 -33.1617 GPRESSAVG: 160200 -13.0376 -53.897 -34.8588 -57.7034 29.4489 -41.9662 -30.5361 -41.5357 -33.6297 TIMING: 160200 CPU: 465.829, 0.00289367/step Wall: 465.829, 0.00289367/step, 3.89021 hours remaining, 201.250000 MB of memory in use. ENERGY: 160200 777.9900 2111.1313 1983.2447 108.9642 -205854.3415 17686.7040 0.0000 0.0000 34292.9133 -148893.3940 299.4885 -183186.3073 -148795.1222 300.2189 -48.0368 -19.0414 557959.4482 -5.7262 -5.7395 LDB: ============= START OF LOAD BALANCING ============== 469.294 LDB: ============== END OF LOAD BALANCING =============== 469.294 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 469.296 LDB: ============= START OF LOAD BALANCING ============== 469.587 LDB: Largest compute 4820 load 0.031914 is 27.2% of average load 0.117354 LDB: Average compute 0.001727 is 1.5% of average load 0.117354 LDB: TIME 469.589 LOAD: AVG 0.117354 MAX 0.174852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.555 MB LDB: TIME 469.59 LOAD: AVG 0.117354 MAX 0.174852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.684 MB LDB: TIME 469.59 LOAD: AVG 0.117354 MAX 0.174852 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.684 MB LDB: ============== END OF LOAD BALANCING =============== 469.592 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 469.596 PRESSURE: 160400 -25.937 12.6841 -113.874 12.6836 324.512 -66.9098 -113.875 -66.9087 -62.9781 GPRESSURE: 160400 16.8767 -54.6943 -126.342 113.465 324.752 -185.284 -56.2577 -64.6832 -15.6777 PRESSAVG: 160400 -7.24653 -29.9243 -27.2244 -29.9243 41.3057 16.8936 -27.2243 16.8936 -24.0246 GPRESSAVG: 160400 -8.39772 -30.8927 -24.1785 -27.7841 41.9575 19.1048 -28.7456 13.7089 -23.3404 TIMING: 160400 CPU: 466.42, 0.00295445/step Wall: 466.42, 0.00295445/step, 3.97176 hours remaining, 201.171875 MB of memory in use. ENERGY: 160400 760.6616 2101.0585 1964.8248 114.5462 -206332.8562 17942.1021 0.0000 0.0000 34545.9941 -148903.6689 301.6988 -183449.6630 -148796.8984 299.8156 78.5322 108.6504 557571.3240 3.3449 3.4064 PRESSURE: 160600 -364.218 -2.48751 20.2016 -2.48736 48.7942 45.4718 20.2016 45.4723 -194.963 GPRESSURE: 160600 -323.416 11.2574 -6.72357 -19.2134 104.485 -4.6712 -12.372 98.7623 -204.56 PRESSAVG: 160600 -65.6623 -13.8678 4.97704 -13.8678 85.4901 25.5566 4.97713 25.5567 -31.9828 GPRESSAVG: 160600 -64.5229 -13.5667 5.22398 -15.1032 84.8667 24.9119 3.52751 25.7709 -32.6456 TIMING: 160600 CPU: 467.003, 0.00291511/step Wall: 467.003, 0.00291511/step, 3.91872 hours remaining, 201.429688 MB of memory in use. ENERGY: 160600 740.8639 2107.3430 1960.1479 103.1549 -205823.5551 17584.5688 0.0000 0.0000 34235.3029 -149092.1736 298.9854 -183327.4765 -148996.5319 299.5792 -170.1292 -141.1638 559775.4581 -4.0517 -4.1006 PRESSURE: 160800 -29.044 -140.673 133.146 -140.672 -51.31 -49.9718 133.147 -49.9724 -23.1211 GPRESSURE: 160800 66.1362 -126.015 208.175 -104.506 -63.2974 -153.388 110.891 -44.0986 3.81972 PRESSAVG: 160800 -64.7317 4.74574 -30.0755 4.74588 12.0547 59.1982 -30.0755 59.1982 54.2354 GPRESSAVG: 160800 -64.4217 4.94212 -29.4647 4.5313 12.5117 56.755 -29.9774 59.9439 52.9979 TIMING: 160800 CPU: 467.58, 0.00288457/step Wall: 467.58, 0.00288457/step, 3.87751 hours remaining, 201.429688 MB of memory in use. ENERGY: 160800 766.4474 2125.8335 1966.5407 110.5670 -206378.6981 17990.5606 0.0000 0.0000 34167.6883 -149251.0607 298.3949 -183418.7490 -149150.4465 298.4377 -34.4917 2.2195 557525.5783 0.5195 0.3626 PRESSURE: 161000 -48.3096 101.339 -20.5795 101.339 256.281 -17.3038 -20.5804 -17.305 40.3495 GPRESSURE: 161000 48.586 111.908 69.3822 97.4195 179.566 0.493698 -8.61734 -55.5238 128.377 PRESSAVG: 161000 23.2316 -42.8135 24.1795 -42.8135 -7.79176 19.8719 24.1795 19.8719 38.6254 GPRESSAVG: 161000 22.5893 -43.5675 22.9106 -43.0633 -7.54015 20.9315 24.6431 19.7818 38.7855 TIMING: 161000 CPU: 468.16, 0.00290058/step Wall: 468.16, 0.00290058/step, 3.89886 hours remaining, 201.488281 MB of memory in use. ENERGY: 161000 752.4592 2095.5933 1974.0075 111.2011 -206187.6970 17966.9623 0.0000 0.0000 34183.8306 -149103.6430 298.5359 -183287.4736 -149013.2460 298.5943 82.7737 118.8432 558117.2866 18.0217 17.9449 PRESSURE: 161200 6.06387 21.3041 21.5795 21.301 333.032 -110.057 21.5793 -110.057 72.3494 GPRESSURE: 161200 81.157 16.0837 10.7084 15.8302 348.106 -158.106 31.7587 -101.929 67.4144 PRESSAVG: 161200 22.6975 -23.1511 -90.2951 -23.1511 -10.3465 -40.6539 -90.2951 -40.6539 -28.9499 GPRESSAVG: 161200 22.0313 -23.1459 -91.1514 -20.6755 -10.3435 -37.8419 -87.3115 -41.6962 -28.0023 TIMING: 161200 CPU: 468.742, 0.00291029/step Wall: 468.742, 0.00291029/step, 3.91175 hours remaining, 201.488281 MB of memory in use. ENERGY: 161200 757.2895 2058.5889 1945.6685 115.2226 -206253.2641 18018.1795 0.0000 0.0000 34263.1322 -149095.1829 299.2285 -183358.3151 -149002.4468 298.7853 137.1485 165.5590 556719.5271 -5.5330 -5.4382 PRESSURE: 161400 -3.37691 -53.6557 -139.015 -53.6564 68.7112 106.026 -139.015 106.025 -167.887 GPRESSURE: 161400 32.828 51.8236 -149.461 -144.117 77.5104 69.8332 -142.629 62.9546 -111.486 PRESSAVG: 161400 28.8495 -25.8067 -59.1027 -25.8068 -19.3769 -89.6685 -59.1027 -89.6685 3.36758 GPRESSAVG: 161400 29.4093 -23.3895 -57.1375 -26.0296 -20.0805 -91.8728 -61.9116 -86.3869 2.79515 TIMING: 161400 CPU: 469.326, 0.0029178/step Wall: 469.326, 0.0029178/step, 3.92168 hours remaining, 201.488281 MB of memory in use. ENERGY: 161400 746.9324 2056.0765 1981.2421 117.3093 -205803.6826 17660.0475 0.0000 0.0000 34249.6701 -148992.4047 299.1109 -183242.0747 -148897.0097 298.9143 -34.1842 -0.3826 558040.2063 4.2800 4.0413 PRESSURE: 161600 25.8417 -29.9496 -45.108 -29.9491 -79.9348 -36.2991 -45.1086 -36.2996 -121.458 GPRESSURE: 161600 66.9586 -32.8349 -17.6489 42.6379 -86.6596 -22.0041 -72.7041 -43.1047 -59.666 PRESSAVG: 161600 -8.4974 -81.1376 14.4337 -81.1375 83.552 9.20918 14.4338 9.20925 -60.0367 GPRESSAVG: 161600 -8.47856 -81.9366 12.5579 -82.0923 84.3377 9.35173 15.8077 7.6971 -60.5308 TIMING: 161600 CPU: 469.905, 0.00289545/step Wall: 469.905, 0.00289545/step, 3.89148 hours remaining, 201.488281 MB of memory in use. ENERGY: 161600 750.6548 2116.2005 1961.9039 115.3766 -206013.0874 17779.7793 0.0000 0.0000 34285.2742 -149003.8981 299.4218 -183289.1723 -148911.7624 299.5429 -58.5170 -26.4557 557965.7702 5.0060 5.1095 PRESSURE: 161800 -169.142 124.506 -15.8553 124.505 39.206 292.314 -15.8558 292.314 180.993 GPRESSURE: 161800 -104.302 79.6171 -74.8749 141.795 58.7725 271.969 -43.5373 202.512 200.464 PRESSAVG: 161800 -3.29495 -11.958 14.0868 -11.958 48.4326 -29.524 14.0867 -29.524 -31.4852 GPRESSAVG: 161800 -3.53958 -13.3289 13.8548 -12.1699 47.7464 -29.7842 12.4499 -29.5751 -30.5019 TIMING: 161800 CPU: 470.488, 0.00291454/step Wall: 470.488, 0.00291454/step, 3.91698 hours remaining, 201.488281 MB of memory in use. ENERGY: 161800 724.2245 2097.2084 2000.5387 122.5362 -206083.0793 17845.5115 0.0000 0.0000 34211.2228 -149081.8372 298.7751 -183293.0600 -148985.6619 299.8804 17.0190 51.6448 558481.5826 4.5508 4.5683 PRESSURE: 162000 -97.4199 -23.9651 104.402 -23.9645 -89.5873 -30.9025 104.403 -30.9019 11.9163 GPRESSURE: 162000 -81.3487 -44.7905 135.907 -37.8281 -58.7933 -88.3843 93.1498 -18.9371 56.9303 PRESSAVG: 162000 34.6033 -35.1447 3.87296 -35.1446 -46.8143 36.8238 3.87302 36.8238 -9.06344 GPRESSAVG: 162000 34.142 -31.6965 4.09739 -35.8104 -45.8041 36.9811 4.6254 36.1237 -9.59103 TIMING: 162000 CPU: 471.07, 0.00291229/step Wall: 471.07, 0.00291229/step, 3.91379 hours remaining, 201.519531 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: 162000 764.6655 2069.7367 1946.2383 112.8313 -206172.1376 17884.0554 0.0000 0.0000 34097.6158 -149296.9946 297.7830 -183394.6104 -149202.3272 298.7512 -58.3636 -27.7372 557582.2361 -7.0915 -7.0844 PRESSURE: 162200 -145.842 -58.3576 99.6777 -58.3554 -20.6849 56.0454 99.6781 56.0454 40.8948 GPRESSURE: 162200 -91.7289 -166.884 77.3441 25.1464 -17.7213 108.595 19.7498 79.5007 83.8819 PRESSAVG: 162200 50.169 -15.9372 64.4802 -15.9372 -31.0903 -8.55037 64.4803 -8.55035 16.2747 GPRESSAVG: 162200 51.0579 -20.0855 63.2144 -14.1839 -31.8943 -7.91414 64.9306 -7.76568 16.472 TIMING: 162200 CPU: 471.653, 0.00291206/step Wall: 471.653, 0.00291206/step, 3.91332 hours remaining, 201.519531 MB of memory in use. ENERGY: 162200 750.6556 2084.5293 1987.9332 122.8768 -206331.2318 17691.3441 0.0000 0.0000 34331.1831 -149362.7097 299.8228 -183693.8927 -149266.5138 298.3950 -41.8772 -8.5228 557852.8972 11.7845 11.8785 PRESSURE: 162400 37.9009 -3.06106 -57.3223 -3.06116 -264.591 -4.60736 -57.3217 -4.60753 -58.673 GPRESSURE: 162400 110.964 28.4613 -126.901 -89.1375 -228.117 8.90237 -26.3218 0.478932 -79.9597 PRESSAVG: 162400 52.7525 30.6213 39.5542 30.6213 -57.5139 -20.4274 39.5542 -20.4273 11.0758 GPRESSAVG: 162400 52.4231 31.8572 40.8268 29.7912 -56.7403 -19.7408 38.4365 -22.2602 10.0758 TIMING: 162400 CPU: 472.237, 0.0029181/step Wall: 472.237, 0.0029181/step, 3.92128 hours remaining, 201.519531 MB of memory in use. ENERGY: 162400 735.7347 2063.3339 1999.0955 107.8797 -206259.0088 17809.5215 0.0000 0.0000 34193.4725 -149349.9710 298.6201 -183543.4434 -149259.2097 298.5446 -95.1210 -65.7041 558423.4227 2.1048 1.9195 PRESSURE: 162600 152.16 -125.137 98.3966 -125.138 169.887 71.1144 98.3971 71.1165 317.489 GPRESSURE: 162600 201.113 -87.9152 194.107 -163.237 185.389 96.8161 101.75 147.599 359.697 PRESSAVG: 162600 38.3985 19.8687 -10.4559 19.8688 -13.5896 -25.9425 -10.4559 -25.9425 17.4041 GPRESSAVG: 162600 37.7022 21.7519 -9.65438 20.6792 -12.7923 -24.976 -8.25135 -25.3603 16.9534 TIMING: 162600 CPU: 472.823, 0.0029338/step Wall: 472.823, 0.0029338/step, 3.94222 hours remaining, 201.519531 MB of memory in use. ENERGY: 162600 716.2845 2133.0685 1972.6692 112.4481 -206970.7893 18331.2730 0.0000 0.0000 34465.7767 -149239.2693 300.9982 -183705.0459 -149148.8908 299.6243 213.1787 248.7327 557736.8401 14.0710 13.9544 PRESSURE: 162800 -22.7525 133.376 -168.197 133.376 -54.3265 75.4456 -168.198 75.4455 -355.793 GPRESSURE: 162800 -15.0762 150.956 -147.015 80.8137 -27.3291 52.7523 -118.017 24.1601 -299.548 PRESSAVG: 162800 5.11694 -8.77608 -37.9873 -8.77619 -10.9811 63.8959 -37.9872 63.8958 -26.8945 GPRESSAVG: 162800 4.73652 -8.25398 -38.5545 -8.3546 -11.3233 62.7795 -38.2061 64.2283 -26.5668 TIMING: 162800 CPU: 473.408, 0.00292472/step Wall: 473.408, 0.00292472/step, 3.92985 hours remaining, 201.519531 MB of memory in use. ENERGY: 162800 811.2924 2151.5675 1954.8939 115.9053 -206334.8373 17813.9320 0.0000 0.0000 34162.2507 -149324.9955 298.3474 -183487.2462 -149231.7451 299.2387 -144.2907 -113.9845 558236.7796 -10.9195 -11.0512 PRESSURE: 163000 -188.46 -9.29858 -323.759 -9.29716 -454.259 174.695 -323.761 174.695 -11.7654 GPRESSURE: 163000 -138.986 3.33998 -309.108 23.0305 -421.651 197.34 -274.304 209.357 0.607249 PRESSAVG: 163000 98.4188 -3.26577 -69.1809 -3.26576 -25.5033 7.457 -69.1809 7.45701 -62.7158 GPRESSAVG: 163000 98.8634 -5.18765 -68.4596 -5.02943 -26.3286 6.95444 -69.8088 6.81657 -61.9911 TIMING: 163000 CPU: 473.994, 0.0029271/step Wall: 473.994, 0.0029271/step, 3.93289 hours remaining, 201.519531 MB of memory in use. ENERGY: 163000 767.4754 2089.4487 1970.8944 117.4441 -205876.6194 17491.6056 0.0000 0.0000 34230.7361 -149209.0152 298.9455 -183439.7513 -149114.5190 298.9891 -218.1613 -186.6767 557852.8563 3.3999 3.5146 PRESSURE: 163200 57.5604 -77.289 92.3702 -77.2884 -230.425 108.937 92.3705 108.938 -122.343 GPRESSURE: 163200 -16.9421 -129.743 -44.949 -101.133 -126.975 130.104 123.364 45.1249 -75.3527 PRESSAVG: 163200 15.2328 16.838 -26.6253 16.8381 15.9105 -10.627 -26.6253 -10.6269 -12.9102 GPRESSAVG: 163200 15.1357 17.5804 -26.7012 16.0242 17.3267 -11.2325 -27.3753 -8.63329 -14.0428 TIMING: 163200 CPU: 474.577, 0.00291637/step Wall: 474.577, 0.00291637/step, 3.9183 hours remaining, 201.519531 MB of memory in use. ENERGY: 163200 744.3237 2154.3797 1955.3670 98.1970 -206222.0078 17754.7598 0.0000 0.0000 34291.4548 -149223.5259 299.4758 -183514.9807 -149119.5601 299.3232 -98.4026 -73.0899 557508.7049 6.0777 6.1398 PRESSURE: 163400 19.2254 122.321 -74.6507 122.319 -280.501 -72.4073 -74.6504 -72.4079 -253.154 GPRESSURE: 163400 -6.41844 85.5415 -79.5882 154.626 -216.645 -59.9853 -70.5418 -80.8058 -196.739 PRESSAVG: 163400 49.2443 -5.37346 37.6833 -5.37339 -62.8549 -18.9272 37.6835 -18.9271 23.5916 GPRESSAVG: 163400 47.8768 -7.1014 34.8191 -2.99293 -63.2006 -16.8494 38.7397 -18.6516 24.8711 TIMING: 163400 CPU: 475.158, 0.00290561/step Wall: 475.158, 0.00290561/step, 3.90369 hours remaining, 201.519531 MB of memory in use. ENERGY: 163400 779.3209 2096.0428 1976.7626 114.4070 -205743.2428 17527.2709 0.0000 0.0000 34132.0360 -149117.4027 298.0836 -183249.4387 -149021.2387 298.9221 -171.4764 -139.9341 557289.8499 3.3270 3.1824 PRESSURE: 163600 -150.457 -56.9873 4.79275 -56.9882 16.7449 -43.0554 4.792 -43.0565 101.502 GPRESSURE: 163600 -130.787 -92.6198 14.8946 -84.6394 97.802 33.1357 -8.97017 -36.6128 97.0622 PRESSAVG: 163600 -4.28946 20.4968 51.8067 20.4969 -5.52769 -13.2507 51.8068 -13.2506 52.3618 GPRESSAVG: 163600 -2.25137 22.6122 53.179 19.019 -6.45801 -13.6285 51.4748 -16.0513 52.0893 TIMING: 163600 CPU: 475.741, 0.00291417/step Wall: 475.741, 0.00291417/step, 3.91503 hours remaining, 201.519531 MB of memory in use. ENERGY: 163600 779.5596 2089.2134 1953.4346 126.2246 -205980.9809 17539.0473 0.0000 0.0000 34458.4598 -149035.0415 300.9343 -183493.5014 -148940.9659 300.0268 -10.7367 21.3592 555898.9737 14.1816 14.4600 PRESSURE: 163800 -189.648 41.3498 -154.627 41.3503 32.2076 75.8023 -154.626 75.8019 -118.409 GPRESSURE: 163800 -119.821 19.0912 -168.073 182.594 0.733307 81.6532 -110.746 91.0513 -59.3003 PRESSAVG: 163800 50.8746 18.4839 0.680043 18.4839 -70.502 -67.6673 0.680064 -67.6673 36.5554 GPRESSAVG: 163800 51.205 17.31 0.774084 19.5874 -70.6838 -67.7418 2.70502 -67.1637 36.6153 TIMING: 163800 CPU: 476.321, 0.0029019/step Wall: 476.321, 0.0029019/step, 3.89837 hours remaining, 201.519531 MB of memory in use. ENERGY: 163800 747.4147 2072.7057 1965.5665 120.9510 -206115.9983 17705.7053 0.0000 0.0000 34336.0098 -149167.6453 299.8649 -183503.6551 -149068.6827 299.7915 -91.9497 -59.4627 557671.8266 5.6427 5.7122 PRESSURE: 164000 -190.744 -39.0359 5.7357 -39.0341 38.1753 37.2081 5.73476 37.2074 -57.6671 GPRESSURE: 164000 -164.21 -9.20548 41.0712 -3.86302 72.8409 88.3301 -20.7272 15.6278 -13.9744 PRESSAVG: 164000 42.1188 51.5499 42.5455 51.55 8.90927 14.0691 42.5455 14.0691 -62.6857 GPRESSAVG: 164000 40.7975 52.1901 43.4324 52.0123 8.93514 12.5365 40.672 17.327 -62.3548 TIMING: 164000 CPU: 476.908, 0.00293204/step Wall: 476.908, 0.00293204/step, 3.9387 hours remaining, 201.519531 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: 164000 742.7104 2087.2062 1964.8435 103.5671 -206216.9720 17701.7568 0.0000 0.0000 34526.5362 -149090.3517 301.5288 -183616.8879 -148999.1949 299.5044 -70.0786 -35.1145 556770.7304 -3.8859 -4.2074 PRESSURE: 164200 232.157 -70.48 10.8998 -70.48 153.691 306.9 10.8992 306.9 -265.331 GPRESSURE: 164200 261.675 -115.819 15.4122 -76.0816 177.771 238.513 -13.711 375.983 -225.986 PRESSAVG: 164200 35.6887 10.552 -4.13438 10.5521 5.39845 43.3782 -4.13439 43.378 -31.2914 GPRESSAVG: 164200 35.5291 9.03282 -6.95518 10.2388 6.31151 43.0678 -2.48513 41.8635 -31.6185 TIMING: 164200 CPU: 477.489, 0.00290547/step Wall: 477.489, 0.00290547/step, 3.90286 hours remaining, 201.519531 MB of memory in use. ENERGY: 164200 708.1654 2144.5403 1965.9584 107.4441 -206009.6801 17621.7194 0.0000 0.0000 34381.4686 -149080.3840 300.2619 -183461.8525 -148982.4367 299.5132 40.1723 71.1534 557860.3942 3.2653 3.4074 LDB: ============= START OF LOAD BALANCING ============== 480.952 LDB: ============== END OF LOAD BALANCING =============== 480.952 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 480.954 LDB: ============= START OF LOAD BALANCING ============== 481.243 LDB: Largest compute 4820 load 0.030901 is 26.3% of average load 0.117406 LDB: Average compute 0.001731 is 1.5% of average load 0.117406 LDB: TIME 481.245 LOAD: AVG 0.117406 MAX 0.177537 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.594 MB LDB: TIME 481.245 LOAD: AVG 0.117406 MAX 0.177537 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.637 MB LDB: TIME 481.245 LOAD: AVG 0.117406 MAX 0.177537 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 481.247 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 481.251 PRESSURE: 164400 236.382 130.011 -43.431 130.009 -103.095 -119.651 -43.4321 -119.651 164.796 GPRESSURE: 164400 277.593 97.8426 -14.1161 92.4481 -62.038 -129.288 -28.605 -81.616 170.009 PRESSAVG: 164400 72.1065 -6.8229 12.6367 -6.82283 -52.5 4.19208 12.6367 4.19204 -57.2944 GPRESSAVG: 164400 72.3074 -7.81845 15.0683 -6.58785 -52.8128 4.86491 10.6062 5.20021 -57.8272 TIMING: 164400 CPU: 478.076, 0.00293591/step Wall: 478.076, 0.00293591/step, 3.94358 hours remaining, 203.718750 MB of memory in use. ENERGY: 164400 728.7786 2063.2499 2007.7396 109.8434 -206355.6078 18028.9317 0.0000 0.0000 34225.5318 -149191.5327 298.9001 -183417.0645 -149094.6606 299.2632 99.3612 128.5212 557046.9797 -12.5626 -12.7775 PRESSURE: 164600 -86.7916 -24.0215 76.6155 -24.0213 39.2069 53.9001 76.6156 53.9004 17.8763 GPRESSURE: 164600 -35.2449 -121.042 39.4549 -16.9628 46.9085 54.8472 9.31099 84.2211 44.4325 PRESSAVG: 164600 30.4283 -26.0954 39.8847 -26.0954 -23.8841 31.9819 39.8848 31.9819 -5.85797 GPRESSAVG: 164600 29.6467 -22.8337 39.3484 -27.819 -24.1531 33.4658 41.898 29.8838 -4.92749 TIMING: 164600 CPU: 478.656, 0.00290047/step Wall: 478.656, 0.00290047/step, 3.89581 hours remaining, 202.968750 MB of memory in use. ENERGY: 164600 754.1390 2097.4333 1975.3125 110.2974 -206170.1796 17817.9875 0.0000 0.0000 34223.3348 -149191.6750 298.8809 -183415.0099 -149099.9580 299.0484 -9.9028 18.6987 558479.7565 0.2287 0.1887 PRESSURE: 164800 -175.576 -25.4194 18.6832 -25.4179 -111.02 146.239 18.6829 146.239 185.083 GPRESSURE: 164800 -114.486 4.78138 -59.6825 -36.4576 -100.123 165.23 65.228 104.773 198.219 PRESSAVG: 164800 20.2592 17.4513 30.9738 17.4513 -57.4994 2.50997 30.9738 2.51001 -16.3141 GPRESSAVG: 164800 21.592 15.8577 31.5148 20.0703 -57.9003 2.88041 29.078 0.318617 -17.304 TIMING: 164800 CPU: 479.229, 0.00286528/step Wall: 479.229, 0.00286529/step, 3.8484 hours remaining, 202.968750 MB of memory in use. ENERGY: 164800 760.5171 2154.0164 1969.4840 112.9354 -206347.8742 17852.8100 0.0000 0.0000 34294.7907 -149203.3205 299.5049 -183498.1112 -149109.8238 299.1149 -33.8380 -5.4635 556954.0587 -17.8514 -17.8708 PRESSURE: 165000 -207.802 -41.2562 102.025 -41.256 -170.876 -115.329 102.026 -115.328 -70.2625 GPRESSURE: 165000 -175.003 -68.5917 61.0067 18.5309 -158.438 -149.562 122.252 -104.485 -20.1045 PRESSAVG: 165000 22.1097 -33.6321 37.2123 -33.632 -46.3971 -3.05821 37.2123 -3.0583 25.8769 GPRESSAVG: 165000 20.243 -31.6191 36.6218 -35.2883 -45.2737 -4.02856 37.0016 -0.246309 26.8782 TIMING: 165000 CPU: 479.806, 0.00288603/step Wall: 479.806, 0.00288603/step, 3.8761 hours remaining, 202.968750 MB of memory in use. ENERGY: 165000 766.8856 2105.6045 1960.7439 121.0358 -205929.4915 17655.6813 0.0000 0.0000 34160.0341 -149159.5064 298.3281 -183319.5405 -149065.3145 298.8374 -149.6470 -117.8483 557498.7994 0.5298 0.6158 PRESSURE: 165200 -29.1623 12.7983 53.8022 12.7978 100.498 88.968 53.8017 88.9669 -36.5667 GPRESSURE: 165200 -6.18118 25.6517 47.3504 9.61989 105.55 111.429 35.9122 59.6729 27.6733 PRESSAVG: 165200 -13.6257 3.1973 17.2559 3.19725 -3.16214 -18.2676 17.256 -18.2676 -20.1394 GPRESSAVG: 165200 -12.2343 5.34047 17.2003 2.73493 -4.00013 -18.4037 18.768 -17.8242 -20.5977 TIMING: 165200 CPU: 480.387, 0.0029042/step Wall: 480.387, 0.0029042/step, 3.90034 hours remaining, 202.968750 MB of memory in use. ENERGY: 165200 738.2181 2047.2379 1978.5420 125.4509 -205921.2846 17666.5084 0.0000 0.0000 34182.4712 -149182.8561 298.5240 -183365.3273 -149086.4665 298.9172 11.5898 42.3473 556647.3842 -12.3091 -12.2774 PRESSURE: 165400 -265.173 259.998 57.2153 259.999 -239.541 85.1345 57.2165 85.1351 -244.28 GPRESSURE: 165400 -244.855 230.707 55.5778 274.266 -163.355 82.0614 -1.30702 30.7044 -236.233 PRESSAVG: 165400 -11.9644 21.9154 -1.40033 21.9154 -27.9717 -7.2796 -1.40027 -7.27957 40.9892 GPRESSAVG: 165400 -12.9194 20.1036 -2.45781 22.9916 -27.3414 -5.57876 -1.79234 -8.40467 40.9462 TIMING: 165400 CPU: 480.967, 0.00290067/step Wall: 480.967, 0.00290067/step, 3.89544 hours remaining, 202.968750 MB of memory in use. ENERGY: 165400 724.5995 2132.7838 1972.3976 116.4055 -205918.7874 17517.3089 0.0000 0.0000 34326.7557 -149128.5364 299.7841 -183455.2921 -149024.9380 299.4228 -249.6647 -214.8142 557236.1836 0.3510 0.2285 PRESSURE: 165600 -173.133 100.754 -87.4926 100.754 -41.3165 90.562 -87.4932 90.5636 -15.5831 GPRESSURE: 165600 -179.887 87.9899 -154.523 170.234 28.0739 39.4912 -107.25 169.103 7.40224 PRESSAVG: 165600 9.04957 110.878 12.8065 110.878 32.5337 13.1905 12.8066 13.1906 -56.8888 GPRESSAVG: 165600 10.257 109.076 15.0631 110.821 32.1405 12.2413 11.3293 14.7375 -57.3611 TIMING: 165600 CPU: 481.548, 0.00290528/step Wall: 481.548, 0.00290528/step, 3.90147 hours remaining, 202.968750 MB of memory in use. ENERGY: 165600 739.8330 2088.7473 1986.1341 104.6699 -205795.1237 17667.6717 0.0000 0.0000 34194.1162 -149013.9515 298.6257 -183208.0677 -148907.1561 299.6301 -76.6775 -48.1368 556595.9644 -5.1018 -4.9879 PRESSURE: 165800 -70.5754 197.402 27.5477 197.403 -291.26 34.1902 27.5481 34.1912 13.1588 GPRESSURE: 165800 -40.762 122.619 56.1613 198.797 -222.702 30.1769 33.4601 58.978 9.53271 PRESSAVG: 165800 21.1505 83.0097 32.9675 83.0097 -72.6891 -29.7829 32.9676 -29.7829 20.9 GPRESSAVG: 165800 21.9421 81.6392 29.9348 84.1677 -72.8774 -33.0376 32.2425 -30.7657 20.4615 TIMING: 165800 CPU: 482.131, 0.00291189/step Wall: 482.131, 0.00291189/step, 3.91019 hours remaining, 202.968750 MB of memory in use. ENERGY: 165800 771.7847 2148.6654 2004.1289 105.5586 -205891.1587 17705.9365 0.0000 0.0000 34317.1646 -148837.9199 299.7003 -183155.0845 -148748.0875 299.9090 -116.2257 -84.6437 557764.5899 -10.2129 -10.1579 PRESSURE: 166000 -412.447 -35.0063 -142.642 -35.0064 -75.2125 -270.33 -142.643 -270.331 32.2717 GPRESSURE: 166000 -385.538 -27.97 -100.882 -19.8044 -56.2124 -161.779 -129.581 -285.487 80.7273 PRESSAVG: 166000 -12.8678 58.0816 23.538 58.0815 -63.9706 7.02366 23.538 7.02361 68.3516 GPRESSAVG: 166000 -13.6986 60.3169 25.2011 55.9314 -64.2008 10.686 26.4288 7.81626 69.2122 TIMING: 166000 CPU: 482.708, 0.0028871/step Wall: 482.708, 0.0028871/step, 3.87673 hours remaining, 202.968750 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: 166000 721.4708 2151.1621 1971.9015 105.4994 -205311.7824 17342.3971 0.0000 0.0000 34190.2845 -148829.0668 298.5923 -183019.3513 -148737.6552 300.5845 -151.7959 -120.3410 556514.8412 -2.8289 -2.8957 PRESSURE: 166200 51.6839 33.5955 192.37 33.5959 -148.734 30.2932 192.37 30.294 24.5427 GPRESSURE: 166200 105.744 7.17441 181.882 35.4775 -141.62 65.6813 244.716 75.8906 64.9637 PRESSAVG: 166200 51.3278 1.63913 -26.0259 1.63914 32.0362 8.86091 -26.0257 8.86085 -66.6249 GPRESSAVG: 166200 51.8279 1.11013 -25.0088 1.19354 32.8409 8.021 -26.7391 10.4283 -67.7049 TIMING: 166200 CPU: 483.287, 0.00289565/step Wall: 483.287, 0.00289565/step, 3.88805 hours remaining, 202.968750 MB of memory in use. ENERGY: 166200 752.5040 2195.8629 1978.7186 118.8962 -205606.0869 17603.6607 0.0000 0.0000 34335.7867 -148620.6577 299.8630 -182956.4445 -148540.0733 300.2471 -24.1691 9.6959 558183.8780 5.5797 5.6546 PRESSURE: 166400 -92.8946 43.969 20.1862 43.9689 -22.1884 -68.0702 20.1869 -68.0689 -353.567 GPRESSURE: 166400 -69.8177 28.4946 55.4643 88.3096 29.2821 -121.733 -35.7646 16.8017 -320.546 PRESSAVG: 166400 111.393 -0.893078 12.5609 -0.892958 85.1942 -7.88468 12.5609 -7.88463 -145.887 GPRESSAVG: 166400 111.267 -1.03074 10.192 2.51564 84.1385 -10.4959 13.3744 -7.41079 -144.72 TIMING: 166400 CPU: 483.87, 0.00291506/step Wall: 483.87, 0.00291506/step, 3.91396 hours remaining, 203.230469 MB of memory in use. ENERGY: 166400 759.0232 2040.6166 1984.7493 108.9100 -205542.4191 17591.1764 0.0000 0.0000 34295.0165 -148762.9270 299.5069 -183057.9435 -148665.9611 300.5128 -156.2166 -120.3607 558672.3675 16.9001 16.8948 PRESSURE: 166600 380.666 -47.174 -26.5327 -47.1747 -8.57532 -60.0654 -26.5332 -60.0645 40.4586 GPRESSURE: 166600 415.263 -40.5978 38.7654 -18.7911 70.3778 -37.4808 21.8897 -36.0248 17.4183 PRESSAVG: 166600 41.2992 -9.61466 2.45591 -9.6147 1.13981 18.2792 2.45586 18.2792 -63.962 GPRESSAVG: 166600 42.1915 -9.57079 2.3004 -12.4968 2.10734 21.0681 1.88323 15.5072 -65.7343 TIMING: 166600 CPU: 484.448, 0.00288816/step Wall: 484.448, 0.00288816/step, 3.87768 hours remaining, 203.230469 MB of memory in use. ENERGY: 166600 723.4223 2092.3344 1979.6333 112.2834 -206112.6062 17757.1637 0.0000 0.0000 34595.5996 -148852.1695 302.1320 -183447.7691 -148749.6950 300.0784 137.5165 167.6863 556770.0757 -7.1743 -7.1452 PRESSURE: 166800 148.364 185.572 -45.1188 185.57 217.581 -62.4591 -45.119 -62.4604 448.359 GPRESSURE: 166800 155.777 247.727 -107.075 63.7433 251.706 -39.6031 -58.8487 -102.039 498.359 PRESSAVG: 166800 -46.8503 52.1209 -16.5892 52.1209 -2.30309 -36.5164 -16.5891 -36.5166 35.6357 GPRESSAVG: 166800 -48.3658 51.5321 -16.5217 53.6676 -2.0103 -37.7601 -16.712 -35.8578 37.053 TIMING: 166800 CPU: 485.026, 0.00288928/step Wall: 485.026, 0.00288928/step, 3.87901 hours remaining, 203.230469 MB of memory in use. ENERGY: 166800 677.8596 2118.8300 1973.1615 110.3899 -205963.1499 17853.8637 0.0000 0.0000 34316.8003 -148912.2449 299.6972 -183229.0452 -148820.2099 299.9882 271.4350 301.9474 556351.2183 -4.5059 -4.4410 PRESSURE: 167000 -141.14 62.1942 43.5867 62.1935 -81.8523 167.015 43.5862 167.017 -101.894 GPRESSURE: 167000 -135.071 40.1742 5.17454 35.3344 -21.361 143.946 109.971 229.997 -71.7437 PRESSAVG: 167000 83.464 102.157 40.4267 102.157 -102.524 11.539 40.4267 11.5389 15.2421 GPRESSAVG: 167000 83.9232 103.965 41.8438 100.871 -101.75 9.81242 39.7905 14.7934 15.2305 TIMING: 167000 CPU: 485.604, 0.00289273/step Wall: 485.604, 0.00289273/step, 3.88349 hours remaining, 203.230469 MB of memory in use. ENERGY: 167000 746.2056 2069.9764 1969.6067 105.9486 -205927.8628 17641.7453 0.0000 0.0000 34396.1733 -148998.2069 300.3903 -183394.3802 -148896.2119 300.5970 -108.2954 -76.0587 557235.7979 -1.2727 -0.8653 PRESSURE: 167200 -231.248 44.1663 115.879 44.1648 -221.976 -48.9258 115.879 -48.9249 57.4788 GPRESSURE: 167200 -201.448 -69.9385 114.93 125.935 -180.622 -43.8432 185.004 -37.232 89.1949 PRESSAVG: 167200 -21.9288 18.507 57.5822 18.5071 -42.8144 28.6373 57.5821 28.6373 0.0422835 GPRESSAVG: 167200 -20.7091 17.0438 55.7438 20.0432 -44.5672 30.0632 57.6111 25.7742 0.538558 TIMING: 167200 CPU: 486.177, 0.00286347/step Wall: 486.177, 0.00286347/step, 3.84405 hours remaining, 203.230469 MB of memory in use. ENERGY: 167200 760.4432 2061.6473 1983.7707 106.7547 -205693.2147 17545.8445 0.0000 0.0000 34295.4002 -148939.3542 299.5103 -183234.7543 -148845.1335 299.8611 -131.9154 -97.6251 559948.1080 -21.5670 -21.5793 PRESSURE: 167400 -202.914 -111.004 -116.823 -111.004 -371.273 -64.4996 -116.825 -64.4983 89.9004 GPRESSURE: 167400 -195.105 -87.1056 -126.376 -103.799 -322.107 -66.0063 -98.9712 -53.6181 128.049 PRESSAVG: 167400 11.0039 51.9636 -1.70465 51.9636 -49.4377 -74.5294 -1.70464 -74.5294 17.4891 GPRESSAVG: 167400 9.59673 53.4528 -1.23027 49.4471 -48.5017 -75.2011 -3.16991 -73.3439 17.1542 TIMING: 167400 CPU: 486.753, 0.00288129/step Wall: 486.753, 0.00288129/step, 3.86781 hours remaining, 203.230469 MB of memory in use. ENERGY: 167400 762.1968 2112.3583 1978.4843 112.8307 -205724.8858 17371.2648 0.0000 0.0000 34470.4966 -148917.2542 301.0394 -183387.7508 -148824.3398 300.1133 -161.4288 -129.7211 557770.6824 -6.9816 -7.2503 PRESSURE: 167600 46.1878 196.985 83.0384 196.985 -159.992 66.0334 83.0393 66.033 -71.5696 GPRESSURE: 167600 98.9751 212.24 98.4994 261.129 -131.381 73.6018 59.7266 73.8134 -61.4309 PRESSAVG: 167600 22.6832 -24.5494 -0.938003 -24.5494 -39.8202 44.4384 -0.938033 44.4384 35.2664 GPRESSAVG: 167600 22.433 -26.5928 1.44844 -23.1017 -40.1402 46.5092 -2.1605 43.2625 36.2751 TIMING: 167600 CPU: 487.332, 0.00289258/step Wall: 487.332, 0.00289258/step, 3.88281 hours remaining, 203.230469 MB of memory in use. ENERGY: 167600 730.5448 2108.5196 1965.5573 95.6982 -206073.9975 17860.1994 0.0000 0.0000 34276.5017 -149036.9765 299.3452 -183313.4782 -148935.3568 299.7759 -61.7914 -31.2790 558237.4802 6.0431 6.1893 PRESSURE: 167800 45.6227 56.5263 -58.99 56.5276 -48.0453 21.1914 -58.9899 21.1922 212.754 GPRESSURE: 167800 72.343 92.7307 -38.8259 53.0086 -20.9347 -18.1763 -85.5028 -101.733 250.246 PRESSAVG: 167800 -61.9728 20.8686 -2.52272 20.8686 -3.15013 -23.8287 -2.52266 -23.8286 54.1071 GPRESSAVG: 167800 -62.0702 23.7938 -3.00965 19.5461 -3.38079 -26.485 -2.04893 -25.2883 54.2447 TIMING: 167800 CPU: 487.909, 0.00288831/step Wall: 487.909, 0.00288831/step, 3.87691 hours remaining, 203.230469 MB of memory in use. ENERGY: 167800 720.1112 2108.4690 1962.8448 117.7151 -205898.8533 17796.6303 0.0000 0.0000 34037.4504 -149155.6326 297.2575 -183193.0829 -149060.1499 298.9209 70.1104 100.5515 558482.8674 -3.6719 -3.7354 PRESSURE: 168000 21.694 55.4612 137.247 55.4604 -45.2046 -153.97 137.246 -153.972 41.7862 GPRESSURE: 168000 17.3499 125.637 90.5981 2.13091 7.38928 -138.998 126.241 -186.606 98.2735 PRESSAVG: 168000 -12.564 0.636727 20.379 0.636707 -51.1123 20.4572 20.3791 20.4571 71.2772 GPRESSAVG: 168000 -12.3606 -2.04632 18.9555 4.06415 -50.0237 20.9272 20.9726 20.7878 70.2743 TIMING: 168000 CPU: 488.489, 0.00289657/step Wall: 488.489, 0.00289657/step, 3.88784 hours remaining, 203.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 168000 719.5573 2059.7440 1955.4401 108.4001 -206052.8536 17722.4770 0.0000 0.0000 34375.1455 -149112.0896 300.2067 -183487.2351 -149023.2068 298.9195 6.0919 41.0042 557269.5979 2.5336 2.6300 PRESSURE: 168200 -42.2068 66.2694 67.6388 66.2693 -127.004 -18.6765 67.639 -18.6766 -95.9115 GPRESSURE: 168200 -70.4901 54.2164 95.1867 3.78959 -72.3472 -6.64007 97.0508 16.7006 -30.9795 PRESSAVG: 168200 -17.3411 11.9191 66.0694 11.9191 -8.1625 -58.3164 66.0694 -58.3166 -14.7392 GPRESSAVG: 168200 -16.7891 12.196 65.483 9.11988 -8.94374 -56.7151 67.5846 -55.8569 -14.6954 TIMING: 168200 CPU: 489.071, 0.00291049/step Wall: 489.071, 0.00291049/step, 3.90636 hours remaining, 203.296875 MB of memory in use. ENERGY: 168200 705.8034 2079.5716 1973.6489 107.2052 -205681.9403 17561.9484 0.0000 0.0000 34243.3207 -149010.4420 299.0554 -183253.7627 -148911.9219 299.6086 -88.3741 -57.9389 557124.4349 -13.4142 -13.4761 LDB: ============= START OF LOAD BALANCING ============== 492.536 LDB: ============== END OF LOAD BALANCING =============== 492.536 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 492.537 LDB: ============= START OF LOAD BALANCING ============== 492.825 LDB: Largest compute 4820 load 0.032815 is 28.0% of average load 0.117324 LDB: Average compute 0.001738 is 1.5% of average load 0.117324 LDB: TIME 492.827 LOAD: AVG 0.117324 MAX 0.178661 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.566 MB LDB: TIME 492.827 LOAD: AVG 0.117324 MAX 0.178661 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.637 MB LDB: TIME 492.827 LOAD: AVG 0.117324 MAX 0.178661 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 492.829 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 492.833 PRESSURE: 168400 93.2222 -105.193 149.259 -105.194 185.496 -120.008 149.258 -120.01 -178.047 GPRESSURE: 168400 112.194 -99.9067 130.775 -55.0743 184.439 -152.483 58.2017 -123.344 -103.615 PRESSAVG: 168400 22.6774 -21.5752 8.06805 -21.5752 -25.8142 -43.7188 8.06792 -43.7188 35.7914 GPRESSAVG: 168400 22.8163 -19.7802 7.68845 -23.1111 -24.8314 -47.3148 8.57501 -45.2764 35.0876 TIMING: 168400 CPU: 489.658, 0.00293518/step Wall: 489.658, 0.00293518/step, 3.93934 hours remaining, 200.363281 MB of memory in use. ENERGY: 168400 741.1145 2060.5941 1965.3886 104.2193 -205849.2721 17702.8294 0.0000 0.0000 34348.2920 -148926.8341 299.9722 -183275.1262 -148832.6705 299.5808 33.5571 64.3394 557664.3959 10.8849 11.0242 PRESSURE: 168600 -266.947 -114.212 239.426 -114.212 138.413 -37.6825 239.425 -37.683 2.86476 GPRESSURE: 168600 -267.322 -84.8419 310.925 -86.8065 153.756 -31.5684 206.054 -92.4311 90.7431 PRESSAVG: 168600 -16.9659 -75.7296 100.404 -75.7296 -60.2846 -68.1313 100.404 -68.1314 -2.22185 GPRESSAVG: 168600 -17.9554 -75.205 102.811 -74.6657 -59.7005 -66.4176 97.3898 -67.6107 -1.2026 TIMING: 168600 CPU: 490.234, 0.00288177/step Wall: 490.234, 0.00288177/step, 3.8675 hours remaining, 200.363281 MB of memory in use. ENERGY: 168600 761.4837 2096.9504 1980.7323 119.3620 -206130.9842 17836.2652 0.0000 0.0000 34492.8277 -148843.3629 301.2344 -183336.1905 -148747.8174 300.1354 -41.8897 -7.6073 557906.9888 -26.4908 -26.2862 PRESSURE: 168800 -223.529 -56.8275 -127.269 -56.8284 -16.0677 131.139 -127.27 131.139 158.119 GPRESSURE: 168800 -177.285 -54.435 -174.78 -11.5274 32.6052 139.415 -136.822 155.941 145.171 PRESSAVG: 168800 -0.568913 -57.1334 21.5446 -57.1335 -5.49925 13.3736 21.5447 13.3735 6.46203 GPRESSAVG: 168800 0.414411 -57.1791 19.3462 -58.1642 -7.10857 14.2424 24.3707 14.4031 7.11556 TIMING: 168800 CPU: 490.811, 0.00288146/step Wall: 490.811, 0.00288146/step, 3.86692 hours remaining, 200.363281 MB of memory in use. ENERGY: 168800 745.6752 2105.6503 1984.5617 113.6847 -205927.8292 17603.7882 0.0000 0.0000 34374.4560 -149000.0131 300.2007 -183374.4691 -148903.0084 299.8284 -27.1593 0.1637 557003.3331 0.1313 0.1405 PRESSURE: 169000 -155.493 90.2319 60.4807 90.232 -53.8701 -160.2 60.4821 -160.2 -109.482 GPRESSURE: 169000 -160.53 90.2722 87.6243 28.9726 -4.80563 -149.645 40.1157 -133.397 -56.1442 PRESSAVG: 169000 39.3304 -5.04939 37.919 -5.04941 -7.08855 46.4294 37.919 46.4294 -48.0471 GPRESSAVG: 169000 40.1306 -5.14703 39.3017 -3.31136 -6.44145 46.283 37.5903 46.0912 -48.946 TIMING: 169000 CPU: 491.393, 0.00290999/step Wall: 491.393, 0.00290999/step, 3.90505 hours remaining, 200.398438 MB of memory in use. ENERGY: 169000 748.2847 2112.5564 1991.6725 112.6360 -205974.2174 17637.4576 0.0000 0.0000 34228.0325 -149143.5778 298.9219 -183371.6103 -149052.8690 299.2750 -106.2816 -73.8267 557802.6715 -5.2684 -5.0856 PRESSURE: 169200 219.916 -23.3695 1.26976 -23.3693 -47.2108 -82.0289 1.26891 -82.0279 111.661 GPRESSURE: 169200 264.596 -24.0453 10.0122 -110.115 6.42247 -130.114 -50.7671 -98.8084 116.089 PRESSAVG: 169200 -17.0145 14.1043 -34.9781 14.1043 -37.9063 -42.4652 -34.9782 -42.4651 51.0708 GPRESSAVG: 169200 -17.3127 13.1434 -34.0741 14.6503 -36.7095 -43.6422 -36.5274 -43.7886 50.7944 TIMING: 169200 CPU: 491.972, 0.0028962/step Wall: 491.972, 0.0028962/step, 3.88638 hours remaining, 200.398438 MB of memory in use. ENERGY: 169200 748.1277 2110.9758 1983.3392 119.5367 -206688.3294 18043.6533 0.0000 0.0000 34451.2418 -149231.4550 300.8713 -183682.6967 -149137.1135 299.1204 94.7887 129.0358 556298.3266 -1.2833 -1.0759 PRESSURE: 169400 -35.1651 17.0212 -56.1126 17.0223 5.13573 52.6086 -56.1132 52.6093 31.426 GPRESSURE: 169400 -26.977 78.8743 -91.717 -48.3058 1.28145 117.622 -17.0032 -46.8663 120.878 PRESSAVG: 169400 -20.5011 -54.1886 -33.6075 -54.1885 59.08 59.4174 -33.6075 59.4173 -27.6016 GPRESSAVG: 169400 -20.7798 -53.2411 -34.8224 -54.3681 59.1598 61.91 -33.9567 58.0851 -27.4599 TIMING: 169400 CPU: 492.548, 0.00288121/step Wall: 492.548, 0.00288121/step, 3.86611 hours remaining, 200.398438 MB of memory in use. ENERGY: 169400 777.7840 2109.2681 1962.4256 119.8413 -206131.0157 17823.2534 0.0000 0.0000 34250.9199 -149087.5234 299.1218 -183338.4434 -148987.5924 299.7110 0.4656 31.7273 556610.3892 3.6591 3.6400 PRESSURE: 169600 45.3906 20.0008 -119.594 20.001 -80.9667 -21.9837 -119.595 -21.9834 -106.179 GPRESSURE: 169600 93.1693 -18.5579 -91.0218 68.0649 -20.059 10.6101 -148.966 1.4817 -121.979 PRESSAVG: 169600 -39.8948 -7.18369 -45.8338 -7.18369 22.0303 -20.517 -45.8338 -20.517 26.3053 GPRESSAVG: 169600 -40.3785 -7.661 -47.0463 -7.8458 23.3115 -21.2299 -44.5182 -19.6843 25.4996 TIMING: 169600 CPU: 493.126, 0.00288835/step Wall: 493.126, 0.00288835/step, 3.87553 hours remaining, 200.398438 MB of memory in use. ENERGY: 169600 723.6167 2111.0623 1997.2437 118.1851 -205905.1033 17671.5056 0.0000 0.0000 34126.9600 -149156.5299 298.0392 -183283.4900 -149057.7133 299.1181 -47.2516 -16.2894 557273.8789 2.8136 2.8108 PRESSURE: 169800 -58.9006 -39.823 -143.817 -39.8226 39.4084 -23.9285 -143.817 -23.9276 -34.9354 GPRESSURE: 169800 -29.4617 -118.775 -185.317 -19.4813 57.4676 -60.89 -111.295 16.3471 19.8538 PRESSAVG: 169800 -2.26405 -7.58088 -48.7477 -7.58079 26.9985 11.4635 -48.7477 11.4635 7.7473 GPRESSAVG: 169800 -2.00989 -7.47198 -47.546 -4.76713 26.0321 10.0466 -48.4204 13.0733 8.52165 TIMING: 169800 CPU: 493.707, 0.00290469/step Wall: 493.707, 0.00290469/step, 3.89729 hours remaining, 200.398438 MB of memory in use. ENERGY: 169800 777.5514 2115.9985 1988.5937 119.6421 -206296.1958 17880.6714 0.0000 0.0000 34096.8437 -149316.8951 297.7762 -183413.7388 -149224.9492 298.5107 -18.1425 15.9533 555196.7155 10.8272 10.8479 PRESSURE: 170000 17.6131 107.743 -130.213 107.743 206.134 142.892 -130.212 142.893 156.324 GPRESSURE: 170000 50.8181 67.194 -73.4996 166.789 235.047 123.084 -148.715 183.398 195.95 PRESSAVG: 170000 -12.103 37.5005 3.43283 37.5005 13.5839 -35.0289 3.43278 -35.0288 -0.349967 GPRESSAVG: 170000 -13.1048 37.668 3.60903 34.6924 13.2052 -32.4828 1.41553 -35.5735 1.69951 TIMING: 170000 CPU: 494.289, 0.00291225/step Wall: 494.289, 0.00291225/step, 3.90727 hours remaining, 200.398438 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: 170000 732.2992 2037.5015 1999.1844 114.0115 -206256.1083 17785.7541 0.0000 0.0000 34402.2216 -149185.1359 300.4432 -183587.3575 -149088.6610 298.8783 126.6906 160.6049 556692.2324 0.3770 0.6000 PRESSURE: 170200 183.876 -54.8381 89.607 -54.8378 346.798 8.70777 89.6076 8.7082 384.785 GPRESSURE: 170200 225.328 -133.286 101.557 -33.1421 377.151 30.6869 75.2598 -50.5693 420.384 PRESSAVG: 170200 -61.0256 32.4688 27.3949 32.4689 18.9843 5.01961 27.3948 5.01962 42.4886 GPRESSAVG: 170200 -59.678 31.1006 28.9171 33.0217 20.0853 3.72756 27.6992 3.61308 40.3066 TIMING: 170200 CPU: 494.868, 0.00289442/step Wall: 494.868, 0.00289442/step, 3.88319 hours remaining, 200.398438 MB of memory in use. ENERGY: 170200 730.6094 2088.2653 1992.0591 110.6653 -206494.5992 18137.0525 0.0000 0.0000 34225.0484 -149210.8992 298.8959 -183435.9476 -149115.4311 299.5487 305.1528 340.9542 555935.3014 0.1491 0.2380 PRESSURE: 170400 -21.2071 147.041 -167.731 147.04 -151.037 -89.4575 -167.732 -89.4563 7.24106 GPRESSURE: 170400 -45.0774 64.2741 -192.456 85.0978 -43.9716 -134.454 -92.0738 -99.5317 40.8187 PRESSAVG: 170400 -39.4933 4.17765 -33.4807 4.17756 31.7021 -8.97594 -33.4808 -8.97581 52.9705 GPRESSAVG: 170400 -39.7317 6.01767 -36.1417 5.27101 31.4388 -7.82203 -31.2867 -9.4383 53.3067 TIMING: 170400 CPU: 495.447, 0.00289299/step Wall: 495.447, 0.00289299/step, 3.88111 hours remaining, 200.398438 MB of memory in use. ENERGY: 170400 764.8407 2044.4113 1973.6205 113.2703 -206029.0148 17706.3030 0.0000 0.0000 34298.4602 -149128.1088 299.5370 -183426.5690 -149034.6613 298.8066 -55.0009 -16.0768 557014.0254 15.0598 15.0046 PRESSURE: 170600 -137.023 -82.4898 -29.867 -82.4881 -308.5 -170.376 -29.8678 -170.375 95.9273 GPRESSURE: 170600 -92.8128 -9.48114 88.6009 -76.0608 -267.567 -237.031 9.87667 -143.725 85.1012 PRESSAVG: 170600 -57.8315 -17.2691 -29.7336 -17.2692 55.4847 61.9869 -29.7335 61.987 -14.0559 GPRESSAVG: 170600 -56.7296 -17.6705 -28.4884 -18.4807 54.5144 60.8044 -31.4566 62.2463 -13.8706 TIMING: 170600 CPU: 496.028, 0.00290714/step Wall: 496.028, 0.00290714/step, 3.89993 hours remaining, 200.398438 MB of memory in use. ENERGY: 170600 738.0841 2048.6753 1962.7768 116.4169 -206002.1629 17644.0510 0.0000 0.0000 34421.4254 -149070.7333 300.6109 -183492.1588 -148966.4023 299.1388 -116.5318 -91.7594 558641.0224 -5.4676 -5.3620 PRESSURE: 170800 222.841 49.75 -70.1199 49.7494 238.44 117.616 -70.1202 117.618 -23.1392 GPRESSURE: 170800 217.66 105.485 -75.6719 -58.8801 254.238 75.1182 -106.899 149.035 56.098 PRESSAVG: 170800 35.3005 -8.11812 28.5188 -8.11805 -56.7572 12.6354 28.5187 12.6354 13.5592 GPRESSAVG: 170800 33.3811 -9.43196 27.8519 -6.71953 -56.6831 15.5239 29.7718 12.9679 14.5997 TIMING: 170800 CPU: 496.614, 0.0029294/step Wall: 496.614, 0.0029294/step, 3.92963 hours remaining, 200.398438 MB of memory in use. ENERGY: 170800 737.2842 2068.5016 1991.2987 118.1403 -206525.9215 18139.5538 0.0000 0.0000 34328.9243 -149142.2186 299.8030 -183471.1429 -149042.7937 299.8409 146.0473 175.9985 558741.5384 -2.6325 -2.9007 PRESSURE: 171000 66.4466 128.731 -95.6041 128.73 -78.6627 -7.03589 -95.603 -7.03449 127.112 GPRESSURE: 171000 77.9913 35.3166 -125.426 134.686 -15.5258 33.3167 -79.4322 11.9263 131.722 PRESSAVG: 171000 41.4444 -3.90203 -54.7399 -3.90197 -2.50508 30.8791 -54.74 30.8791 -23.2438 GPRESSAVG: 171000 41.292 -2.82425 -53.843 -5.71253 -1.24285 27.697 -55.438 30.3285 -24.6988 TIMING: 171000 CPU: 497.194, 0.00289875/step Wall: 497.194, 0.00289875/step, 3.88835 hours remaining, 200.398438 MB of memory in use. ENERGY: 171000 739.3106 2092.9617 1954.8463 108.4321 -206394.2579 17928.4870 0.0000 0.0000 34382.9186 -149187.3016 300.2746 -183570.2202 -149095.5405 299.4796 38.2988 64.7292 556790.6188 5.2318 5.1168 PRESSURE: 171200 209.328 73.9177 122.808 73.9154 199.102 161.867 122.808 161.868 -189.556 GPRESSURE: 171200 258.903 107.688 197.49 30.655 243.808 88.9541 59.7573 70.4985 -177.849 PRESSAVG: 171200 29.36 11.7304 -0.56231 11.7303 3.07433 88.5977 -0.562286 88.5977 -82.9375 GPRESSAVG: 171200 29.7538 11.9198 -2.80408 14.2466 1.55478 87.0846 0.652568 88.9251 -82.1743 TIMING: 171200 CPU: 497.777, 0.00291508/step Wall: 497.777, 0.00291508/step, 3.9101 hours remaining, 200.398438 MB of memory in use. ENERGY: 171200 742.1465 2054.1247 1960.0595 115.1991 -206425.0314 17996.9109 0.0000 0.0000 34262.1416 -149294.4491 299.2198 -183556.5908 -149196.4784 298.4050 72.9577 108.2872 556514.8581 -16.8344 -16.9552 PRESSURE: 171400 60.9076 -112.695 1.29211 -112.695 22.6936 176.366 1.29155 176.366 124.965 GPRESSURE: 171400 142.561 -180.648 -44.2143 -76.3877 56.2129 209.84 85.5456 177.141 110.401 PRESSAVG: 171400 8.60153 -33.6113 -4.97219 -33.6113 7.90432 72.427 -4.9722 72.4271 49.6006 GPRESSAVG: 171400 8.84167 -35.1778 -2.8427 -33.9571 8.11666 73.5636 -7.25784 72.3431 49.7137 TIMING: 171400 CPU: 498.361, 0.00292401/step Wall: 498.361, 0.00292401/step, 3.92191 hours remaining, 200.398438 MB of memory in use. ENERGY: 171400 723.0686 2096.1495 1966.0609 112.4304 -206450.3935 17967.9912 0.0000 0.0000 34253.4128 -149331.2800 299.1436 -183584.6928 -149231.5926 298.8187 69.5220 103.0583 557522.2726 22.0355 22.2240 PRESSURE: 171600 -183.678 151.266 105.835 151.265 258.276 -12.1042 105.836 -12.1036 216.098 GPRESSURE: 171600 -143.866 109.059 128.495 159.935 302.25 1.83995 166.624 -58.486 226.468 PRESSAVG: 171600 -70.8445 49.7365 59.6769 49.7366 11.1312 -13.8292 59.677 -13.8292 109.255 GPRESSAVG: 171600 -70.4319 51.5418 60.722 47.7669 11.0593 -11.804 60.3443 -14.7693 109.243 TIMING: 171600 CPU: 498.939, 0.00288863/step Wall: 498.939, 0.00288863/step, 3.8743 hours remaining, 200.398438 MB of memory in use. ENERGY: 171600 724.1324 2086.9965 1970.5103 113.2029 -206085.3867 17849.8907 0.0000 0.0000 34075.3945 -149265.2595 297.5889 -183340.6540 -149172.0409 298.9676 96.8986 128.2843 556941.7039 16.5140 16.6233 PRESSURE: 171800 -133.499 -69.1963 -154.331 -69.1957 19.2429 -144.651 -154.332 -144.651 26.9026 GPRESSURE: 171800 -165.866 -23.5968 -157.025 -69.2764 82.7811 -116.772 -112.064 -187.273 93.634 PRESSAVG: 171800 -120.579 -6.36943 -45.9611 -6.3694 72.5563 -9.74159 -45.9611 -9.74168 14.3226 GPRESSAVG: 171800 -120.463 -5.7104 -46.1464 -6.9909 72.7296 -11.4581 -45.1318 -10.014 14.356 TIMING: 171800 CPU: 499.518, 0.00289441/step Wall: 499.518, 0.00289441/step, 3.88188 hours remaining, 200.398438 MB of memory in use. ENERGY: 171800 782.3272 2084.0683 1985.5307 105.4632 -206057.6746 17709.0649 0.0000 0.0000 34176.3953 -149214.8251 298.4710 -183391.2204 -149121.7118 298.4134 -29.1178 3.5165 556397.2300 -11.2333 -11.1258 PRESSURE: 172000 -253.262 112.591 -96.5319 112.591 -177.633 -144.544 -96.5311 -144.544 -77.5499 GPRESSURE: 172000 -176.918 120.692 -129.221 44.7755 -87.8505 -39.5073 -90.3028 -291.57 -140.865 PRESSAVG: 172000 -43.23 27.3399 -58.7209 27.3399 61.2118 1.11348 -58.721 1.11351 -27.2261 GPRESSAVG: 172000 -43.7735 26.5378 -60.3705 27.3187 62.1595 0.999863 -59.9881 2.2822 -27.1341 TIMING: 172000 CPU: 500.102, 0.00291837/step Wall: 500.102, 0.00291837/step, 3.91387 hours remaining, 200.398438 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: 172000 719.1360 2056.4392 1979.8710 103.5210 -205837.8638 17426.8274 0.0000 0.0000 34294.7672 -149257.3020 299.5047 -183552.0691 -149160.4263 299.0082 -169.4817 -135.2113 556903.8630 -3.0814 -2.9160 PRESSURE: 172200 22.2052 76.7251 50.839 76.7252 -354.826 -215.09 50.8405 -215.091 -129.145 GPRESSURE: 172200 51.3641 116.104 78.4721 76.5656 -331.927 -235.383 9.54244 -175.502 -87.5204 PRESSAVG: 172200 21.563 28.9217 27.3073 28.9218 -41.3419 -9.41295 27.3072 -9.41293 18.3592 GPRESSAVG: 172200 22.5293 28.2888 28.3686 30.2977 -42.7981 -8.40003 30.1705 -10.4623 18.9394 TIMING: 172200 CPU: 500.68, 0.00289108/step Wall: 500.68, 0.00289108/step, 3.87709 hours remaining, 200.398438 MB of memory in use. ENERGY: 172200 807.2092 2088.9997 1981.0149 115.0197 -206056.7200 17627.0311 0.0000 0.0000 34057.1858 -149380.2596 297.4299 -183437.4454 -149286.0837 298.5758 -153.9220 -122.6946 556397.2328 -0.4733 -0.4432 LDB: ============= START OF LOAD BALANCING ============== 504.142 LDB: ============== END OF LOAD BALANCING =============== 504.142 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 504.143 LDB: ============= START OF LOAD BALANCING ============== 504.43 LDB: Largest compute 4820 load 0.030727 is 26.1% of average load 0.117513 LDB: Average compute 0.001735 is 1.5% of average load 0.117513 LDB: TIME 504.432 LOAD: AVG 0.117513 MAX 0.175299 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.875 MB LDB: TIME 504.433 LOAD: AVG 0.117513 MAX 0.175299 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.887 MB LDB: TIME 504.433 LOAD: AVG 0.117513 MAX 0.175299 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.887 MB LDB: ============== END OF LOAD BALANCING =============== 504.435 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 504.439 PRESSURE: 172400 89.3704 66.2576 61.5854 66.2579 -90.9237 4.83363 61.5857 4.83172 -25.0417 GPRESSURE: 172400 145.213 35.9089 26.6159 17.5036 -29.222 58.6262 -44.3319 -68.8771 -33.1828 PRESSAVG: 172400 71.8583 25.9289 36.4976 25.9289 -50.7286 -21.5393 36.4977 -21.5391 25.2326 GPRESSAVG: 172400 71.395 25.6312 34.9145 25.965 -49.9386 -20.1868 34.9288 -20.7192 24.3938 TIMING: 172400 CPU: 501.264, 0.00291859/step Wall: 501.264, 0.00291859/step, 3.91384 hours remaining, 201.257812 MB of memory in use. ENERGY: 172400 764.4756 2072.7665 1991.9389 121.4925 -206407.5273 17936.0122 0.0000 0.0000 34223.3659 -149297.4758 298.8812 -183520.8416 -149198.0193 298.5932 -8.8650 27.6028 558032.4083 15.4541 15.2834 PRESSURE: 172600 -25.4929 -13.8396 -84.3879 -13.8404 27.6103 -59.5108 -84.3881 -59.5121 -64.7844 GPRESSURE: 172600 -25.4138 -39.5159 -124.948 27.0154 44.3198 45.5449 -137.814 -131.751 6.23996 PRESSAVG: 172600 3.75147 0.407193 -32.1585 0.4071 -19.6633 -10.2123 -32.1586 -10.2124 -21.6595 GPRESSAVG: 172600 3.49528 -1.48972 -30.1787 1.51453 -20.443 -11.5341 -31.9733 -10.3449 -20.9012 TIMING: 172600 CPU: 501.838, 0.00287308/step Wall: 501.838, 0.00287308/step, 3.85265 hours remaining, 201.460938 MB of memory in use. ENERGY: 172600 716.9244 2126.3864 1963.3076 136.5487 -206000.1244 17617.9257 0.0000 0.0000 34407.7180 -149031.3137 300.4912 -183439.0316 -148937.2167 299.7464 -20.8890 8.3820 557763.4155 -12.5238 -12.6163 PRESSURE: 172800 163.284 -277.441 -27.2793 -277.44 81.8056 -24.9573 -27.2794 -24.9592 209.506 GPRESSURE: 172800 229.314 -240.11 -73.5598 -234.491 114.858 23.4205 -30.5843 -57.8492 206.826 PRESSAVG: 172800 -24.2692 57.354 -12.6112 57.354 17.1807 21.7202 -12.6112 21.7202 1.81445 GPRESSAVG: 172800 -23.0901 58.9451 -13.6164 55.395 17.4629 20.5966 -12.3973 20.9835 0.247946 TIMING: 172800 CPU: 502.413, 0.00287341/step Wall: 502.413, 0.00287341/step, 3.85293 hours remaining, 201.460938 MB of memory in use. ENERGY: 172800 734.2118 2113.9391 1980.8350 126.2538 -206484.2745 18125.7032 0.0000 0.0000 34214.2781 -149189.0534 298.8018 -183403.3315 -149091.1842 298.8335 151.5320 183.6662 557043.6153 -1.7580 -1.7931 PRESSURE: 173000 -86.7256 112.005 11.8777 112.007 264.322 18.2806 11.8775 18.2831 68.6777 GPRESSURE: 173000 -61.8431 85.6028 -38.4048 79.2412 303.367 17.2358 40.8525 42.5847 110.517 PRESSAVG: 173000 14.5998 -40.38 5.44333 -40.3799 44.3113 76.5914 5.44327 76.5914 -10.4502 GPRESSAVG: 173000 13.4863 -40.2534 5.10393 -37.7199 44.3844 78.7683 7.44308 77.5459 -9.62343 TIMING: 173000 CPU: 502.984, 0.00285624/step Wall: 502.984, 0.00285624/step, 3.82975 hours remaining, 201.460938 MB of memory in use. ENERGY: 173000 795.2970 2095.8553 1955.6279 123.8354 -206385.9024 17968.1842 0.0000 0.0000 34221.5003 -149225.6022 298.8649 -183447.1025 -149125.0384 298.8865 82.0915 117.3469 557407.0466 16.1536 16.0824 PRESSURE: 173200 63.743 29.3365 53.8899 29.3372 11.9026 -62.3745 53.8894 -62.3752 96.0191 GPRESSURE: 173200 105.469 53.5826 8.67872 -37.2136 58.0305 -16.0854 53.0844 -31.2532 106.16 PRESSAVG: 173200 -52.05 60.5838 -11.9403 60.5839 17.6531 12.5815 -11.9404 12.5816 16.0718 GPRESSAVG: 173200 -51.8588 61.1344 -12.9652 59.3232 18.5677 12.2506 -13.1268 13.7449 15.5684 TIMING: 173200 CPU: 503.56, 0.00287826/step Wall: 503.56, 0.00287826/step, 3.85911 hours remaining, 201.460938 MB of memory in use. ENERGY: 173200 716.6232 2112.7812 1984.1386 93.5729 -206380.9215 17876.5231 0.0000 0.0000 34383.3365 -149213.9460 300.2782 -183597.2825 -149107.1098 298.7423 57.2216 89.8863 558580.9141 -6.1084 -5.9076 PRESSURE: 173400 -307.964 128.795 44.9896 128.793 45.4767 -57.5452 44.9898 -57.5453 -163.767 GPRESSURE: 173400 -266.455 6.00041 -57.0669 178.917 -9.07015 -77.336 69.8145 20.928 -45.1027 PRESSAVG: 173400 -102.86 32.6015 -10.8971 32.6015 -2.70505 16.9769 -10.8971 16.9768 67.6935 GPRESSAVG: 173400 -101.203 31.4655 -9.15079 32.0416 -4.78423 15.7386 -10.4761 16.7891 68.2764 TIMING: 173400 CPU: 504.134, 0.00287172/step Wall: 504.134, 0.00287172/step, 3.85018 hours remaining, 201.722656 MB of memory in use. ENERGY: 173400 739.5805 2136.0026 1997.6704 114.7209 -206128.0445 17752.5182 0.0000 0.0000 34234.2080 -149153.3439 298.9759 -183387.5519 -149058.5037 298.8917 -142.0846 -106.8760 559130.6856 -12.6238 -12.5704 PRESSURE: 173600 -256.656 65.1158 49.4998 65.117 -275.421 117.107 49.5009 117.107 142.219 GPRESSURE: 173600 -210.582 172.411 33.028 -10.4342 -170.471 74.6217 -37.9627 131.288 86.9162 PRESSAVG: 173600 -44.7248 4.1618 -6.94126 4.16178 58.0369 -34.62 -6.9413 -34.6199 -53.0433 GPRESSAVG: 173600 -46.0989 4.30216 -7.13881 4.81077 59.465 -35.0301 -9.13723 -34.9953 -53.4359 TIMING: 173600 CPU: 504.714, 0.00289795/step Wall: 504.714, 0.00289795/step, 3.88519 hours remaining, 201.722656 MB of memory in use. ENERGY: 173600 788.4933 2096.9102 1947.3961 94.8268 -206106.0352 17815.2546 0.0000 0.0000 34230.2643 -149132.8899 298.9414 -183363.1542 -149037.1973 299.5474 -129.9526 -98.0457 558961.2800 -13.2438 -13.3566 PRESSURE: 173800 -191.971 -78.0741 3.18995 -78.0736 -125.736 22.65 3.18986 22.6502 -22.21 GPRESSURE: 173800 -137.227 -101.497 11.1341 -81.103 -67.8039 84.1675 -5.61622 -42.2652 -41.5936 PRESSAVG: 173800 -10.3522 -17.5492 -4.13005 -17.5492 -14.2985 -37.7163 -4.13012 -37.7163 29.3433 GPRESSAVG: 173800 -9.70901 -16.2288 -3.94463 -17.683 -14.5114 -35.7915 -3.08403 -39.184 29.1821 TIMING: 173800 CPU: 505.292, 0.00289103/step Wall: 505.292, 0.00289103/step, 3.87574 hours remaining, 201.722656 MB of memory in use. ENERGY: 173800 760.8476 2112.9791 2006.5012 117.8451 -205921.2216 17684.6970 0.0000 0.0000 34247.1059 -148991.2457 299.0885 -183238.3515 -148900.2347 299.5976 -113.3057 -82.2082 558743.7372 1.5642 1.6539 PRESSURE: 174000 42.0771 83.98 -106.885 83.981 185.94 39.2555 -106.886 39.2556 -15.1497 GPRESSURE: 174000 98.4425 66.1194 -122.181 155.177 214.142 117.649 -69.1742 -99.2384 -10.0838 PRESSAVG: 174000 22.8981 12.3393 -27.5845 12.3394 2.5664 27.6877 -27.5845 27.6876 -39.1513 GPRESSAVG: 174000 23.7558 12.1387 -29.1309 11.9376 2.50424 28.9178 -27.4171 25.5884 -39.9492 TIMING: 174000 CPU: 505.871, 0.00289699/step Wall: 505.871, 0.00289699/step, 3.88358 hours remaining, 201.757812 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: 174000 696.5379 2131.2812 1992.9936 136.7264 -206362.7610 17860.3528 0.0000 0.0000 34490.9636 -149053.9056 301.2182 -183544.8691 -148952.0027 299.0116 70.9558 100.8337 558600.5815 -4.5623 -4.5631 PRESSURE: 174200 -37.7206 73.1168 5.01758 73.1167 146.238 79.2235 5.01646 79.2243 -189.375 GPRESSURE: 174200 -5.18068 106.47 -60.4267 107.485 215.16 106.268 13.7642 52.5511 -186.789 PRESSAVG: 174200 80.2007 -7.14522 -38.6558 -7.1452 -13.9397 11.7601 -38.6557 11.7601 -67.2914 GPRESSAVG: 174200 79.3171 -8.12981 -38.766 -7.62198 -15.2039 8.51541 -40.6835 14.2434 -65.3167 TIMING: 174200 CPU: 506.452, 0.00290391/step Wall: 506.452, 0.00290391/step, 3.8927 hours remaining, 201.757812 MB of memory in use. ENERGY: 174200 777.7176 2146.9593 1986.9241 113.9190 -206262.4317 17872.5536 0.0000 0.0000 34208.8206 -149155.5375 298.7541 -183364.3581 -149053.5146 299.6036 -26.9523 7.7302 558258.6830 -0.3435 -0.4012 PRESSURE: 174400 -24.7488 -87.2408 -95.1938 -87.2431 -199.179 155.919 -95.1936 155.918 -260.092 GPRESSURE: 174400 -9.83111 -87.3074 -77.8677 -73.7041 -170.951 133.62 -226.473 125.846 -198.75 PRESSAVG: 174400 10.0783 -6.38579 -23.687 -6.3858 33.0966 19.7416 -23.687 19.7417 -40.2039 GPRESSAVG: 174400 10.8913 -5.87667 -20.9418 -7.15261 32.596 19.1419 -22.6026 21.324 -40.6612 TIMING: 174400 CPU: 507.032, 0.00289833/step Wall: 507.032, 0.00289833/step, 3.88505 hours remaining, 201.757812 MB of memory in use. ENERGY: 174400 750.9891 2090.6115 1973.6195 111.1225 -206014.5752 17552.9984 0.0000 0.0000 34543.5739 -148991.6603 301.6776 -183535.2342 -148895.5647 299.5934 -161.3399 -126.5105 558021.4766 0.9903 0.9420 PRESSURE: 174600 36.9767 144.508 149.726 144.509 -28.698 27.8196 149.725 27.8193 129.5 GPRESSURE: 174600 23.7546 189.947 82.7364 104.289 25.5889 69.7513 187.532 96.9083 192.447 PRESSAVG: 174600 -39.0041 21.3441 -23.8551 21.344 57.3653 64.6896 -23.8551 64.6896 14.5715 GPRESSAVG: 174600 -40.3441 22.0028 -25.3105 20.6336 57.7762 64.2121 -22.4964 63.1875 15.509 TIMING: 174600 CPU: 507.615, 0.0029163/step Wall: 507.615, 0.0029163/step, 3.90897 hours remaining, 201.757812 MB of memory in use. ENERGY: 174600 722.6006 2092.3443 1971.5996 102.9400 -206098.7526 17867.1022 0.0000 0.0000 34317.4199 -149024.7460 299.7026 -183342.1659 -148927.9088 299.7727 45.9264 80.5967 557858.6855 10.9776 10.9804 PRESSURE: 174800 -359.48 -192.618 -78.6618 -192.617 -22.4798 61.1207 -78.6631 61.1209 -51.1092 GPRESSURE: 174800 -280.394 -231.71 -125.039 -259.556 48.0123 39.8932 24.3746 61.3564 -103.354 PRESSAVG: 174800 -9.50801 -10.2571 62.3645 -10.257 -2.08619 18.0661 62.3645 18.0661 14.645 GPRESSAVG: 174800 -8.05136 -11.5294 62.7015 -7.87703 -1.25362 19.4444 62.851 18.8483 12.9793 TIMING: 174800 CPU: 508.198, 0.00291482/step Wall: 508.198, 0.00291482/step, 3.90683 hours remaining, 201.757812 MB of memory in use. ENERGY: 174800 769.8154 2053.2244 1994.5987 102.3443 -205766.8205 17649.8810 0.0000 0.0000 34049.5187 -149147.4378 297.3629 -183196.9565 -149056.1105 299.9898 -144.3565 -111.9119 557962.0366 1.0169 1.2248 PRESSURE: 175000 -147.602 -145.79 143.388 -145.789 -128.318 112.051 143.388 112.051 -297.214 GPRESSURE: 175000 -102.162 -229.939 83.0535 -194.714 -96.451 7.09122 199.638 195.196 -278.814 PRESSAVG: 175000 -2.21443 -75.6669 41.3242 -75.667 -38.4197 32.3469 41.3242 32.3468 40.3393 GPRESSAVG: 175000 -2.66736 -73.8213 41.2218 -76.2881 -39.6117 30.6901 39.8134 32.6071 42.0918 TIMING: 175000 CPU: 508.778, 0.00289771/step Wall: 508.778, 0.00289771/step, 3.88374 hours remaining, 201.757812 MB of memory in use. ENERGY: 175000 799.0610 2152.2336 1973.7891 120.8496 -205657.1219 17474.9200 0.0000 0.0000 34193.3738 -148942.8949 298.6192 -183136.2687 -148856.0192 299.2518 -191.0446 -159.1425 559050.8544 -0.0983 -0.0624 PRESSURE: 175200 -62.6197 -42.8442 69.7363 -42.8442 -171.446 15.389 69.7365 15.3863 -76.4428 GPRESSURE: 175200 -95.7452 -24.5069 -2.02025 -49.2544 -106.102 26.3501 42.484 -29.6228 -18.9273 PRESSAVG: 175200 21.5332 -44.0428 -68.0898 -44.0429 -21.3134 7.76853 -68.0898 7.7685 7.31357 GPRESSAVG: 175200 22.5744 -45.3176 -67.9086 -44.1432 -21.3864 8.96786 -67.4325 7.66607 6.50842 TIMING: 175200 CPU: 509.361, 0.00291652/step Wall: 509.361, 0.00291652/step, 3.90878 hours remaining, 201.757812 MB of memory in use. ENERGY: 175200 767.3533 2079.7932 2008.6594 107.2281 -205717.6737 17663.6165 0.0000 0.0000 34107.1236 -148983.8996 297.8660 -183091.0232 -148883.7418 299.3817 -103.5028 -73.5914 558710.9627 2.5111 2.5655 PRESSURE: 175400 -126.928 -17.144 -83.926 -17.1438 20.8564 89.0677 -83.9255 89.0675 47.1716 GPRESSURE: 175400 -72.6975 37.2317 -60.6171 -8.48827 36.2578 48.6894 -135.12 143.57 66.4089 PRESSAVG: 175400 45.3092 13.1396 -14.9798 13.1396 -7.54086 -1.4168 -14.9797 -1.41679 51.2102 GPRESSAVG: 175400 44.0303 12.3215 -14.1407 12.13 -7.25241 -1.4626 -16.0107 -0.751495 52.2554 TIMING: 175400 CPU: 509.942, 0.00290399/step Wall: 509.942, 0.00290399/step, 3.89184 hours remaining, 201.757812 MB of memory in use. ENERGY: 175400 719.3186 2064.3239 1980.9049 111.3454 -205621.8968 17674.2106 0.0000 0.0000 34111.8783 -148959.9151 297.9075 -183071.7935 -148863.7268 299.5815 -19.6332 9.9897 559145.3030 29.6595 29.6778 PRESSURE: 175600 13.9675 119.831 103.921 119.831 14.4877 79.594 103.923 79.5946 -137.388 GPRESSURE: 175600 -6.75471 169.981 104.062 49.7121 -23.8474 132.673 45.2895 37.616 2.92078 PRESSAVG: 175600 3.06407 -25.1721 -8.45255 -25.172 -46.1048 -6.24137 -8.45252 -6.24132 14.8541 GPRESSAVG: 175600 3.64322 -24.1149 -8.67432 -23.4917 -47.2483 -6.15402 -8.22493 -6.7473 14.2703 TIMING: 175600 CPU: 510.518, 0.0028816/step Wall: 510.518, 0.0028816/step, 3.86167 hours remaining, 201.757812 MB of memory in use. ENERGY: 175600 721.6301 2093.2722 1999.2277 107.9001 -205935.6186 17777.6871 0.0000 0.0000 34195.3298 -149040.5717 298.6363 -183235.9015 -148941.5948 299.1897 -36.3110 -9.2271 558243.0806 -9.3956 -9.7783 PRESSURE: 175800 116.01 110.355 -161.695 110.355 -162.06 82.1253 -161.695 82.1274 -104.916 GPRESSURE: 175800 97.3129 105.311 -165.01 157.19 -67.3197 135.551 -246.088 14.9809 -87.8391 PRESSAVG: 175800 20.6155 43.7031 -38.7523 43.7032 0.590338 -21.7644 -38.7522 -21.7644 -19.9757 GPRESSAVG: 175800 19.7307 43.0148 -38.823 43.6706 1.61908 -20.5698 -38.0707 -22.2827 -20.2046 TIMING: 175800 CPU: 511.105, 0.00293361/step Wall: 511.105, 0.00293361/step, 3.9312 hours remaining, 201.757812 MB of memory in use. ENERGY: 175800 748.7532 2045.4194 1983.0115 108.0279 -206078.2534 17931.8865 0.0000 0.0000 34416.0753 -148845.0795 300.5641 -183261.1549 -148751.4015 299.4749 -50.3223 -19.2820 559157.6967 0.4101 0.3817 PRESSURE: 176000 134.598 16.521 -71.9946 16.5205 -75.8969 -68.024 -71.9933 -68.0233 168.15 GPRESSURE: 176000 203.098 12.5347 -23.3664 28.9977 -87.4571 -84.8426 -166.643 -99.455 207.727 PRESSAVG: 176000 34.5485 -4.53545 -26.0873 -4.53536 14.89 -31.6587 -26.0874 -31.6588 -42.6152 GPRESSAVG: 176000 35.9452 -4.57896 -25.6595 -3.82588 15.0068 -32.0304 -26.6162 -31.5623 -43.9318 TIMING: 176000 CPU: 511.685, 0.00290292/step Wall: 511.685, 0.00290292/step, 3.88991 hours remaining, 201.757812 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: 176000 727.8344 2069.8693 1988.2886 109.5968 -206026.4423 17884.4052 0.0000 0.0000 34300.2789 -148946.1691 299.5529 -183246.4481 -148851.7868 299.5032 75.6171 107.7892 558499.2455 2.2744 2.3401 PRESSURE: 176200 77.5952 -51.4031 122.557 -51.4041 -102.482 -87.2007 122.557 -87.2008 -85.7266 GPRESSURE: 176200 116.335 54.3331 62.9117 -114.204 -57.8941 -86.1798 152.503 -66.8826 -71.9566 PRESSAVG: 176200 22.605 -29.1236 40.4334 -29.1236 -45.0944 51.8289 40.4334 51.8289 -6.32061 GPRESSAVG: 176200 21.0409 -26.7943 40.7987 -30.2655 -45.0171 53.1087 41.3998 51.8846 -5.55215 TIMING: 176200 CPU: 512.273, 0.00293723/step Wall: 512.273, 0.00293723/step, 3.93573 hours remaining, 201.757812 MB of memory in use. ENERGY: 176200 724.0616 2062.7874 1984.0327 118.8326 -205833.6396 17645.9408 0.0000 0.0000 34301.8412 -148996.1433 299.5665 -183297.9845 -148900.8176 300.1971 -36.8711 -4.5054 558866.5903 -9.6033 -9.8428 LDB: ============= START OF LOAD BALANCING ============== 515.74 LDB: ============== END OF LOAD BALANCING =============== 515.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 515.742 LDB: ============= START OF LOAD BALANCING ============== 516.033 LDB: Largest compute 4820 load 0.031188 is 26.6% of average load 0.117423 LDB: Average compute 0.001728 is 1.5% of average load 0.117423 LDB: TIME 516.036 LOAD: AVG 0.117423 MAX 0.177849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.453 MB LDB: TIME 516.036 LOAD: AVG 0.117423 MAX 0.177849 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.461 MB LDB: TIME 516.036 LOAD: AVG 0.117423 MAX 0.177849 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.461 MB LDB: ============== END OF LOAD BALANCING =============== 516.038 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 516.042 PRESSURE: 176400 166.489 39.7156 2.36754 39.7145 60.3966 31.55 2.36555 31.5508 36.3696 GPRESSURE: 176400 205.7 68.4825 35.3796 28.7232 114.689 -27.4442 -92.5744 12.6236 38.2039 PRESSAVG: 176400 46.0473 -54.1473 11.4284 -54.1473 -44.7016 49.4688 11.4284 49.4688 5.2395 GPRESSAVG: 176400 46.5084 -54.2871 10.9802 -54.5973 -45.1759 46.2874 9.46907 50.0622 5.31978 TIMING: 176400 CPU: 512.867, 0.00296902/step Wall: 512.867, 0.00296902/step, 3.97816 hours remaining, 201.136719 MB of memory in use. ENERGY: 176400 736.5564 2095.3567 1987.3415 105.9618 -206258.7283 18005.8237 0.0000 0.0000 34364.7563 -148962.9319 300.1160 -183327.6882 -148866.3271 299.4377 87.7517 119.5310 556885.5935 2.1951 2.2174 PRESSURE: 176600 -93.4274 -40.8874 -55.4862 -40.8884 -448.34 -12.4362 -55.4835 -12.436 -303.099 GPRESSURE: 176600 -70.6388 -89.1155 -38.327 -54.2896 -405.84 -24.2231 -97.0115 75.6213 -270.608 PRESSAVG: 176600 8.43109 -47.2441 26.1993 -47.2441 -39.679 -14.5316 26.1994 -14.5315 76.5416 GPRESSAVG: 176600 7.05191 -50.0974 26.2096 -45.4128 -38.6551 -11.7922 25.9184 -14.1554 76.2915 TIMING: 176600 CPU: 513.443, 0.00288306/step Wall: 513.443, 0.00288306/step, 3.86282 hours remaining, 201.371094 MB of memory in use. ENERGY: 176600 787.7993 2112.9779 1996.8896 113.3765 -205704.6596 17433.3208 0.0000 0.0000 34418.5831 -148841.7125 300.5860 -183260.2956 -148754.5352 300.3117 -281.6220 -249.0289 558595.4826 15.0979 14.8961 PRESSURE: 176800 -3.45432 88.2941 108.36 88.2944 -103.601 25.023 108.36 25.0232 196.634 GPRESSURE: 176800 50.9415 121.636 114.346 46.5482 -38.867 96.7896 127.555 -53.5555 187.242 PRESSAVG: 176800 13.97 -58.7195 19.3518 -58.7195 -26.2611 0.231572 19.3516 0.231647 14.4054 GPRESSAVG: 176800 14.927 -57.9708 17.4069 -60.5403 -27.1274 0.629213 21.3694 -0.640273 14.2564 TIMING: 176800 CPU: 514.022, 0.00289555/step Wall: 514.022, 0.00289555/step, 3.8794 hours remaining, 201.371094 MB of memory in use. ENERGY: 176800 727.0565 2077.5301 1969.4126 125.0541 -205827.7749 17766.0646 0.0000 0.0000 34386.3802 -148776.2768 300.3048 -183162.6570 -148666.9387 299.8244 29.8594 66.4388 559503.6413 0.7048 0.6853 PRESSURE: 177000 -256.585 -100.663 158.384 -100.663 -340.759 -50.2508 158.383 -50.252 -134.34 GPRESSURE: 177000 -210.376 -106.591 142.937 -100.418 -334.587 -61.4215 144.291 40.3632 -88.2858 PRESSAVG: 177000 -61.0058 -21.5157 -16.7387 -21.5158 -15.5295 48.6282 -16.7387 48.6282 76.4162 GPRESSAVG: 177000 -60.8516 -23.013 -16.5512 -19.0924 -16.5519 48.6209 -16.3587 50.0458 76.7157 TIMING: 177000 CPU: 514.605, 0.00291315/step Wall: 514.605, 0.00291315/step, 3.90281 hours remaining, 201.371094 MB of memory in use. ENERGY: 177000 765.3928 2068.1039 1974.5140 110.3924 -205458.9907 17379.1258 0.0000 0.0000 34367.4029 -148794.0590 300.1391 -183161.4619 -148698.4879 300.2124 -243.8948 -211.0828 559810.5463 -0.0397 -0.2293 PRESSURE: 177200 -44.8046 -105.788 30.4366 -105.788 -433.627 54.8228 30.438 54.8221 -134.748 GPRESSURE: 177200 -18.1243 -78.8467 54.7862 -161.738 -364.388 35.2596 22.99 74.5515 -128.22 PRESSAVG: 177200 39.4217 -53.2187 24.3481 -53.2187 -10.4013 -46.7482 24.3482 -46.7482 -27.1862 GPRESSAVG: 177200 40.2754 -51.4219 24.079 -55.6284 -9.98043 -47.9365 24.301 -46.4816 -28.2758 TIMING: 177200 CPU: 515.185, 0.00290172/step Wall: 515.185, 0.00290172/step, 3.88734 hours remaining, 201.371094 MB of memory in use. ENERGY: 177200 772.5307 2091.7190 1984.7772 109.0628 -205599.3970 17450.9881 0.0000 0.0000 34433.2217 -148757.0975 300.7139 -183190.3192 -148657.4820 299.7721 -204.3934 -170.2443 558588.7934 0.6114 0.6730 PRESSURE: 177400 36.4188 35.9929 87.1129 35.9917 -177.008 5.56163 87.1133 5.56108 36.9536 GPRESSURE: 177400 16.1812 -33.1134 78.8094 104.531 -115.759 -33.0715 102.13 19.9931 96.4599 PRESSAVG: 177400 62.4421 -48.4663 3.10393 -48.4662 8.9504 34.5628 3.10392 34.5629 -69.8483 GPRESSAVG: 177400 61.6959 -46.312 4.25357 -50.1899 8.31978 34.7956 3.1235 32.7107 -67.9973 TIMING: 177400 CPU: 515.763, 0.00288949/step Wall: 515.763, 0.00288949/step, 3.87079 hours remaining, 201.371094 MB of memory in use. ENERGY: 177400 728.5553 2060.8625 1963.0349 112.1991 -205280.0380 17651.9971 0.0000 0.0000 34139.4789 -148623.9103 298.1486 -182763.3892 -148522.8803 299.5855 -34.5452 -1.0394 558874.8056 0.5148 0.6728 PRESSURE: 177600 4.85814 59.2695 -130.896 59.2703 43.8347 53.0307 -130.897 53.0308 189.618 GPRESSURE: 177600 53.7863 112.786 -85.2697 25.021 59.433 142.583 -97.1093 81.1319 230.18 PRESSAVG: 177600 47.3493 -46.2742 -1.45702 -46.2742 35.8466 47.6911 -1.45695 47.691 -17.9148 GPRESSAVG: 177600 48.0378 -46.2456 -0.627672 -44.2897 36.4929 50.0288 -1.82125 47.8349 -19.152 TIMING: 177600 CPU: 516.342, 0.00289296/step Wall: 516.342, 0.00289296/step, 3.87529 hours remaining, 201.371094 MB of memory in use. ENERGY: 177600 751.8785 2088.2547 1941.6025 103.1964 -205998.2318 17874.3610 0.0000 0.0000 34624.9320 -148614.0067 302.3881 -183238.9387 -148518.2376 300.4349 79.4371 114.4663 558368.0761 21.7604 21.7929 PRESSURE: 177800 -97.796 -43.3541 -60.402 -43.3546 157.39 72.9227 -60.4024 72.9227 -57.1908 GPRESSURE: 177800 -27.3915 -5.64142 -20.3793 -124.234 194.575 59.8787 -59.086 75.7043 -51.8744 PRESSAVG: 177800 -13.7508 -3.40483 47.2935 -3.40486 -9.1632 -24.877 47.2935 -24.8771 7.12358 GPRESSAVG: 177800 -15.461 -5.03979 45.0688 -4.25771 -8.49 -27.5938 46.8747 -22.7643 7.21411 TIMING: 177800 CPU: 516.923, 0.0029077/step Wall: 516.923, 0.0029077/step, 3.89486 hours remaining, 201.371094 MB of memory in use. ENERGY: 177800 750.4146 2128.4018 1957.3785 110.4531 -205744.3282 17817.7527 0.0000 0.0000 34491.8987 -148488.0287 301.2263 -182979.9274 -148394.4413 301.5338 0.8012 38.4365 557294.5412 -5.2635 -5.5789 PRESSURE: 178000 294.479 -10.4429 59.9348 -10.4435 89.8291 -159.711 59.9345 -159.711 -172.089 GPRESSURE: 178000 268.998 -90.681 64.2646 95.0952 138.671 -133.138 -35.5691 -196.001 -103.49 PRESSAVG: 178000 28.3147 -35.0045 -22.8151 -35.0044 -16.3507 -12.1443 -22.8152 -12.1443 -43.186 GPRESSAVG: 178000 28.8181 -37.015 -19.3648 -32.5374 -16.5716 -11.7446 -22.9183 -13.945 -44.2114 TIMING: 178000 CPU: 517.498, 0.00287579/step Wall: 517.498, 0.00287579/step, 3.85197 hours remaining, 201.371094 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: 178000 757.1360 2126.3508 1979.1737 123.0254 -205825.5706 17973.5385 0.0000 0.0000 34434.2513 -148432.0949 300.7229 -182866.3461 -148336.2852 301.2210 70.7396 101.3931 558444.3294 -10.4073 -10.6550 PRESSURE: 178200 -1.31737 -68.0723 183.319 -68.0747 190.455 -106.596 183.32 -106.597 96.3434 GPRESSURE: 178200 70.4167 -41.8955 155.728 -87.8267 228.049 -152.777 248.61 -142.748 93.742 PRESSAVG: 178200 -12.3527 12.0033 19.0198 12.0034 -11.7047 -14.6422 19.0198 -14.6422 26.7034 GPRESSAVG: 178200 -11.9335 11.3862 16.3812 12.4169 -12.5351 -13.3967 20.3147 -13.7589 26.6665 TIMING: 178200 CPU: 518.073, 0.00287115/step Wall: 518.073, 0.00287115/step, 3.84559 hours remaining, 201.371094 MB of memory in use. ENERGY: 178200 747.8177 2109.5287 1976.2281 110.4625 -205860.9077 17966.0387 0.0000 0.0000 34478.5321 -148472.2999 301.1096 -182950.8320 -148378.2409 301.3900 95.1603 130.7358 558792.3333 0.8820 0.7326 PRESSURE: 178400 -43.9451 -21.8086 -55.758 -21.8079 -189.561 -65.9433 -55.7588 -65.9434 -267.876 GPRESSURE: 178400 -1.17541 -35.8738 -59.0323 -67.4062 -190.678 -110.119 -44.6161 14.7478 -217.156 PRESSAVG: 178400 22.3876 -24.6741 24.9762 -24.6741 -17.5461 16.2118 24.9763 16.2118 10.4073 GPRESSAVG: 178400 22.0531 -24.2176 25.0804 -25.9088 -17.7043 16.1536 24.7841 15.7068 10.9142 TIMING: 178400 CPU: 518.652, 0.00289599/step Wall: 518.652, 0.00289599/step, 3.87869 hours remaining, 201.437500 MB of memory in use. ENERGY: 178400 771.7377 2163.8244 1953.9121 113.2740 -205690.9503 17598.2281 0.0000 0.0000 34540.2806 -148549.6932 301.6489 -183089.9738 -148454.4028 301.4551 -167.1273 -136.3365 558493.6769 5.0829 5.0877 PRESSURE: 178600 202.364 -94.2708 -183.191 -94.2711 95.3942 108.611 -183.19 108.609 184.59 GPRESSURE: 178600 236.086 -81.4062 -158.244 -65.7378 158.561 47.3399 -173.4 83.5507 204.286 PRESSAVG: 178600 3.44581 -16.9002 -31.5645 -16.9002 -26.7054 -6.04142 -31.5646 -6.04141 36.888 GPRESSAVG: 178600 2.68438 -16.3172 -30.8839 -15.8183 -25.9872 -7.78496 -31.5314 -5.86896 37.1302 TIMING: 178600 CPU: 519.238, 0.00292827/step Wall: 519.238, 0.00292827/step, 3.92177 hours remaining, 201.437500 MB of memory in use. ENERGY: 178600 764.8029 2132.0766 1976.5722 123.3799 -205843.2997 17912.8078 0.0000 0.0000 34321.1108 -148612.5494 299.7348 -182933.6602 -148521.3308 301.2686 160.7825 199.6440 557398.5512 4.5428 4.6091 PRESSURE: 178800 -136.686 -75.3071 188.956 -75.3069 -108.789 -35.0135 188.955 -35.0146 -44.5966 GPRESSURE: 178800 -113.657 -91.4005 183.734 -80.2227 -96.9001 -96.269 150.135 -8.74969 11.2127 PRESSAVG: 178800 4.05023 -45.1879 39.7635 -45.1878 -35.4035 45.3867 39.7636 45.3866 44.4586 GPRESSAVG: 178800 3.19033 -43.8674 40.8826 -44.9244 -35.7306 48.8468 40.566 44.717 45.3464 TIMING: 178800 CPU: 519.826, 0.00294433/step Wall: 519.826, 0.00294433/step, 3.94311 hours remaining, 201.437500 MB of memory in use. ENERGY: 178800 796.1278 2117.9739 1977.0534 106.2976 -205705.1047 17612.9183 0.0000 0.0000 34425.2651 -148669.4687 300.6444 -183094.7337 -148572.0996 300.8696 -96.6907 -66.4482 556696.9131 4.3685 4.2687 PRESSURE: 179000 141.276 4.12051 -85.4716 4.12065 -175.382 18.4108 -85.4733 18.4107 105.19 GPRESSURE: 179000 163.031 -14.4424 -87.8789 21.1463 -116.582 -59.5234 -105.292 135.041 134.097 PRESSAVG: 179000 1.46335 0.541693 17.1235 0.541658 -40.1015 18.9348 17.1234 18.9349 76.2334 GPRESSAVG: 179000 2.23141 -0.382757 16.2517 -0.509712 -40.9117 16.3327 16.3461 18.8263 76.2058 TIMING: 179000 CPU: 520.413, 0.00293183/step Wall: 520.413, 0.00293183/step, 3.92621 hours remaining, 201.437500 MB of memory in use. ENERGY: 179000 728.9921 2147.8725 2003.4770 112.4957 -205450.3782 17643.6002 0.0000 0.0000 34273.6586 -148540.2821 299.3204 -182813.9407 -148441.8212 300.9906 23.6947 60.1821 557978.5396 12.5318 12.5085 PRESSURE: 179200 -105.436 11.5007 -47.8094 11.5 -41.1194 13.9294 -47.8087 13.9313 -12.5011 GPRESSURE: 179200 -125.547 12.1067 18.8903 -21.5176 -49.5482 -50.3898 -59.6432 36.475 100.514 PRESSAVG: 179200 44.3278 -35.5216 -9.37444 -35.5216 -32.5927 16.1717 -9.37441 16.1717 13.393 GPRESSAVG: 179200 45.2561 -36.3351 -8.96933 -35.0239 -33.5703 15.5883 -8.34595 16.6916 13.665 TIMING: 179200 CPU: 520.997, 0.00292298/step Wall: 520.997, 0.00292298/step, 3.9142 hours remaining, 201.437500 MB of memory in use. ENERGY: 179200 765.0890 2114.2523 1983.4501 109.7285 -205892.2133 17722.0144 0.0000 0.0000 34509.8473 -148687.8318 301.3831 -183197.6790 -148591.7095 301.5679 -53.0188 -24.8604 557602.6410 8.3760 8.4503 PRESSURE: 179400 12.5259 -55.9481 -61.8743 -55.9483 -114.269 -64.9507 -61.8743 -64.9527 198.529 GPRESSURE: 179400 119.886 -52.5553 -191.052 -49.8875 -96.7797 -22.5156 -30.1515 -53.0877 181.343 PRESSAVG: 179400 -34.7234 -19.5053 -11.8887 -19.5055 35.3234 -40.045 -11.8886 -40.0451 17.1209 GPRESSAVG: 179400 -34.8469 -17.483 -14.2158 -22.1471 36.4228 -38.3497 -13.0386 -40.1303 16.0879 TIMING: 179400 CPU: 521.583, 0.00292736/step Wall: 521.583, 0.00292736/step, 3.9199 hours remaining, 201.437500 MB of memory in use. ENERGY: 179400 705.6097 2086.7496 1988.8159 101.8351 -206055.7991 17831.3609 0.0000 0.0000 34578.5815 -148762.8464 301.9834 -183341.4279 -148662.6341 300.7298 32.2621 68.1497 558702.9010 5.9070 5.8879 PRESSURE: 179600 -274.987 53.888 51.3725 53.8874 -242.044 -34.1508 51.3711 -34.1497 86.4235 GPRESSURE: 179600 -227.478 37.7476 -4.65568 115.92 -176.163 -83.4325 116.221 -2.46389 74.9787 PRESSAVG: 179600 -70.0035 -25.1874 55.3875 -25.1875 -17.2478 -56.8553 55.3876 -56.8554 79.7609 GPRESSAVG: 179600 -70.3091 -27.6664 57.7758 -23.8422 -17.2339 -58.0389 54.4808 -56.8599 80.5054 TIMING: 179600 CPU: 522.168, 0.0029248/step Wall: 522.168, 0.0029248/step, 3.91631 hours remaining, 201.437500 MB of memory in use. ENERGY: 179600 728.9208 2105.6750 1991.9545 117.1245 -205803.2318 17591.6497 0.0000 0.0000 34342.1482 -148925.7592 299.9185 -183267.9073 -148835.4097 300.4485 -143.5358 -109.5540 559138.3074 -2.4968 -2.3458 PRESSURE: 179800 105.055 93.2301 177.933 93.2295 -321.5 -44.3985 177.933 -44.3986 -109.585 GPRESSURE: 179800 109.05 36.6756 142.973 131.968 -239.549 29.2905 139.604 9.22225 -104.879 PRESSAVG: 179800 -18.9407 -9.12258 51.5145 -9.12257 -15.6239 -34.2285 51.5147 -34.2284 32.3318 GPRESSAVG: 179800 -18.5005 -8.97906 51.1078 -10.2208 -15.054 -33.4306 51.5135 -32.1137 31.3795 TIMING: 179800 CPU: 522.75, 0.00290993/step Wall: 522.75, 0.00290993/step, 3.89623 hours remaining, 201.437500 MB of memory in use. ENERGY: 179800 721.9810 2077.9878 1979.3848 110.9754 -206183.0365 17860.7773 0.0000 0.0000 34516.7728 -148915.1574 301.4436 -183431.9302 -148813.3886 300.1870 -108.6764 -78.4594 559676.8180 -0.7443 -0.7250 PRESSURE: 180000 28.4558 110.781 -72.5434 110.78 10.5858 -215.53 -72.5444 -215.53 -199.584 GPRESSURE: 180000 80.8222 149.597 -64.0575 31.2227 21.7679 -211.896 -130.319 -167.396 -165.754 PRESSAVG: 180000 12.5296 25.5051 18.4343 25.505 10.1578 -47.3072 18.4343 -47.3072 -35.4745 GPRESSAVG: 180000 13.1872 23.6508 22.24 28.6117 9.98878 -45.3078 17.4948 -49.7852 -35.9311 TIMING: 180000 CPU: 523.329, 0.00289775/step Wall: 523.329, 0.00289775/step, 3.87977 hours remaining, 201.437500 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: 180000 746.9399 2095.4842 1999.9537 114.0744 -205641.2575 17712.9373 0.0000 0.0000 34191.7507 -148780.1172 298.6051 -182971.8680 -148686.6620 299.9915 -53.5143 -21.0547 559297.4108 -4.2624 -4.2517 PRESSURE: 180200 -167.265 -31.4111 102.602 -31.411 -198.695 -99.9391 102.603 -99.9398 -164.879 GPRESSURE: 180200 -110.762 -99.6521 131.509 23.7865 -237.998 -126.938 60.3827 -91.1507 -80.458 PRESSAVG: 180200 56.3523 27.5072 30.3408 27.5072 -45.4187 -2.18067 30.3408 -2.18073 -40.3082 GPRESSAVG: 180200 55.8134 29.8161 27.6669 26.8886 -45.8911 -4.27507 32.6198 -1.60091 -38.9718 TIMING: 180200 CPU: 523.911, 0.00290635/step Wall: 523.911, 0.00290635/step, 3.89112 hours remaining, 201.437500 MB of memory in use. ENERGY: 180200 756.7541 2069.5949 1989.6115 132.3446 -206015.5289 17723.6186 0.0000 0.0000 34352.7288 -148990.8763 300.0109 -183343.6051 -148889.6855 300.0854 -176.9464 -143.0725 558631.3656 -9.7915 -9.6832 LDB: ============= START OF LOAD BALANCING ============== 527.375 LDB: ============== END OF LOAD BALANCING =============== 527.375 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 527.377 LDB: ============= START OF LOAD BALANCING ============== 527.666 LDB: Largest compute 4820 load 0.029863 is 25.4% of average load 0.117418 LDB: Average compute 0.001725 is 1.5% of average load 0.117418 LDB: TIME 527.668 LOAD: AVG 0.117418 MAX 0.178882 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.203 MB LDB: TIME 527.668 LOAD: AVG 0.117418 MAX 0.178882 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.203 MB LDB: TIME 527.668 LOAD: AVG 0.117418 MAX 0.178882 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 527.671 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 527.675 PRESSURE: 180400 -110.282 -3.71746 128.296 -3.71876 -82.7154 183.027 128.298 183.028 45.3632 GPRESSURE: 180400 -68.3228 -57.8654 120.614 -35.3693 -9.05297 101.795 142.139 197.619 29.7002 PRESSAVG: 180400 44.5095 8.4406 -14.0678 8.44065 -57.6244 21.3315 -14.0678 21.3316 12.1042 GPRESSAVG: 180400 43.984 8.481 -15.9617 7.59891 -56.6353 21.5317 -14.8785 21.1025 11.5914 TIMING: 180400 CPU: 524.499, 0.00294379/step Wall: 524.499, 0.00294379/step, 3.94108 hours remaining, 202.125000 MB of memory in use. ENERGY: 180400 725.7387 2062.0443 1997.4673 120.2455 -205758.4282 17690.2338 0.0000 0.0000 34258.1380 -148904.5605 299.1848 -183162.6985 -148801.6714 299.6066 -49.2115 -15.8919 557909.4300 -0.3369 -0.3533 PRESSURE: 180600 297.478 -5.27613 110.946 -5.27578 24.6473 16.0386 110.945 16.0391 269.446 GPRESSURE: 180600 370.142 -44.2109 136.936 66.5082 77.8504 -12.6231 56.8278 -23.122 243.142 PRESSAVG: 180600 57.5784 -3.11066 65.8594 -3.11065 -19.5339 45.3585 65.8595 45.3585 7.98705 GPRESSAVG: 180600 58.0857 -2.89697 66.612 -3.04408 -20.1676 44.8435 67.991 46.7005 8.63965 TIMING: 180600 CPU: 525.082, 0.00291386/step Wall: 525.082, 0.00291386/step, 3.90085 hours remaining, 202.164062 MB of memory in use. ENERGY: 180600 727.0064 2141.2524 2004.0947 117.6257 -206268.3957 17862.8929 0.0000 0.0000 34387.3559 -149028.1677 300.3133 -183415.5236 -148934.3247 299.5432 197.1904 230.3782 556170.0532 15.3438 15.5193 PRESSURE: 180800 -175.375 -98.1267 174.242 -98.1263 72.5125 -56.1765 174.242 -56.1755 -93.7675 GPRESSURE: 180800 -169.084 -70.6261 180.229 -33.1142 55.9835 -116.31 150.37 -127.268 7.25858 PRESSAVG: 180800 73.2153 0.758965 -22.2308 0.759039 6.84071 -28.8896 -22.2307 -28.8896 -83.5645 GPRESSAVG: 180800 72.3516 0.489122 -21.465 1.73039 6.76525 -28.943 -24.0422 -29.2117 -82.8743 TIMING: 180800 CPU: 525.663, 0.00290271/step Wall: 525.663, 0.00290271/step, 3.88576 hours remaining, 202.164062 MB of memory in use. ENERGY: 180800 738.2324 2056.0936 2013.2581 109.4067 -205977.1887 17541.4684 0.0000 0.0000 34297.5815 -149221.1480 299.5293 -183518.7295 -149120.2131 299.0228 -65.5433 -35.2807 557079.1293 -1.1695 -1.2525 PRESSURE: 181000 -87.7206 15.8577 3.23794 15.8575 144.644 -171.795 3.24011 -171.794 14.7404 GPRESSURE: 181000 20.2726 42.5519 7.98572 29.047 127.624 -197.054 -94.9764 -236.276 27.8289 PRESSAVG: 181000 -36.4652 51.2106 -8.59461 51.2106 0.984868 -8.47459 -8.59471 -8.47467 -15.6446 GPRESSAVG: 181000 -34.8015 50.7197 -9.0212 49.2939 -0.134091 -8.31949 -8.73322 -8.69783 -16.0241 TIMING: 181000 CPU: 526.238, 0.00287877/step Wall: 526.238, 0.00287877/step, 3.85356 hours remaining, 202.164062 MB of memory in use. ENERGY: 181000 764.5099 2079.1769 1968.0662 105.8232 -206174.0178 17786.1369 0.0000 0.0000 34209.1976 -149261.1072 298.7574 -183470.3048 -149168.2684 298.6017 23.8879 58.5751 556547.4051 -17.0417 -16.9866 PRESSURE: 181200 112.575 -17.1792 -54.9067 -17.1795 -140.181 29.2588 -54.9065 29.2585 9.2519 GPRESSURE: 181200 88.216 7.25602 -119.192 -43.1526 -30.2312 -50.9616 -66.6814 66.3499 17.8248 PRESSAVG: 181200 -58.6917 50.1965 -4.13279 50.1966 44.2943 -2.85163 -4.13276 -2.85161 0.512877 GPRESSAVG: 181200 -59.7131 50.8573 -3.81163 49.8724 46.341 -3.12986 -2.44778 -1.00526 -0.804435 TIMING: 181200 CPU: 526.818, 0.0028974/step Wall: 526.818, 0.00289739/step, 3.87832 hours remaining, 202.164062 MB of memory in use. ENERGY: 181200 733.3976 2121.5869 1983.5277 111.0850 -206300.1172 17726.1578 0.0000 0.0000 34198.7445 -149425.6177 298.6661 -183624.3622 -149325.7223 299.2671 -6.1181 25.2699 556326.4757 -4.6282 -4.7255 PRESSURE: 181400 -31.6244 80.2669 -34.6328 80.2661 42.857 124.479 -34.6318 124.48 149.071 GPRESSURE: 181400 9.48826 77.6074 -35.5349 95.6902 91.5633 182.399 -49.9999 132.238 151.772 PRESSAVG: 181400 -4.46791 -1.05994 -8.9747 -1.05987 -55.7927 -33.251 -8.97472 -33.251 3.76668 GPRESSAVG: 181400 -4.91282 -0.0359468 -10.2875 -0.838718 -56.6015 -31.8722 -10.2138 -34.1635 4.79789 TIMING: 181400 CPU: 527.401, 0.002918/step Wall: 527.401, 0.002918/step, 3.90574 hours remaining, 202.164062 MB of memory in use. ENERGY: 181400 717.6405 2082.4748 1974.1547 123.9973 -206238.4027 17832.8356 0.0000 0.0000 34144.4322 -149362.8676 298.1918 -183507.2998 -149265.2232 298.4526 53.4346 84.2744 556177.3616 -18.8313 -18.9055 PRESSURE: 181600 179.306 20.6092 37.5825 20.6084 -183.886 13.5798 37.5816 13.5793 -17.3533 GPRESSURE: 181600 240.032 -66.2713 42.1303 71.0458 -150.277 49.8743 56.2101 -31.1251 -17.1643 PRESSAVG: 181600 57.9032 50.0644 5.55756 50.0644 -17.5894 17.4998 5.55747 17.4999 -13.5046 GPRESSAVG: 181600 59.4513 48.1846 7.66165 52.4414 -18.4576 18.3037 5.11878 15.3432 -14.5301 TIMING: 181600 CPU: 527.985, 0.00291676/step Wall: 527.985, 0.00291676/step, 3.90392 hours remaining, 202.164062 MB of memory in use. ENERGY: 181600 785.5696 2024.1059 1956.9947 122.1229 -206239.8175 17825.4947 0.0000 0.0000 34193.8545 -149331.6753 298.6234 -183525.5298 -149234.9550 298.6076 -7.3111 24.1970 557344.0677 8.9364 8.8212 PRESSURE: 181800 -83.2184 277.721 44.9651 277.719 210.415 37.408 44.9656 37.41 30.5375 GPRESSURE: 181800 -66.2006 267.254 22.2996 292.037 211.81 59.5795 65.8884 78.3151 108.368 PRESSAVG: 181800 -31.8465 -33.6659 18.0208 -33.666 14.4442 4.69276 18.0208 4.69288 0.294874 GPRESSAVG: 181800 -31.6473 -33.783 19.722 -34.5878 13.2148 4.58926 17.9672 4.27973 1.37743 TIMING: 181800 CPU: 528.572, 0.00293632/step Wall: 528.572, 0.00293632/step, 3.92994 hours remaining, 202.164062 MB of memory in use. ENERGY: 181800 741.0508 2075.7857 1980.3784 125.9179 -206282.7046 17933.4922 0.0000 0.0000 34239.1568 -149186.9228 299.0191 -183426.0797 -149083.5621 298.6288 52.5780 84.6593 558767.7763 -5.7025 -5.6850 PRESSURE: 182000 173.857 -98.1235 -113.7 -98.1223 37.7012 -78.6291 -113.699 -78.6287 72.7111 GPRESSURE: 182000 162.904 -82.8195 -125.485 -81.159 108.183 -150.537 -83.4216 42.0751 114.819 PRESSAVG: 182000 -65.8499 3.87227 -44.133 3.87232 32.2205 -19.1009 -44.133 -19.1009 -14.503 GPRESSAVG: 182000 -67.4396 4.72621 -46.621 3.51219 34.5984 -19.9592 -43.2823 -18.1143 -15.508 TIMING: 182000 CPU: 529.159, 0.00293397/step Wall: 529.159, 0.00293397/step, 3.92662 hours remaining, 202.164062 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: 182000 754.6859 2064.8416 1966.6433 104.2167 -206129.2749 17860.3719 0.0000 0.0000 34237.5881 -149140.9274 299.0054 -183378.5155 -149043.7783 298.8128 94.7566 128.6356 557029.5433 -16.0442 -16.1164 PRESSURE: 182200 68.9826 -15.3518 2.64457 -15.353 -56.179 28.923 2.64512 28.9219 6.83788 GPRESSURE: 182200 123.919 65.9113 -46.9633 -38.6601 -25.9145 38.1515 -13.9817 57.4984 18.063 PRESSAVG: 182200 -33.1413 6.01292 -14.2226 6.01289 21.8136 -9.21053 -14.2226 -9.21056 61.9613 GPRESSAVG: 182200 -33.4679 7.07605 -15.3002 4.90223 22.2753 -9.68053 -14.2015 -8.06247 62.4637 TIMING: 182200 CPU: 529.741, 0.00290934/step Wall: 529.741, 0.00290934/step, 3.8935 hours remaining, 202.164062 MB of memory in use. ENERGY: 182200 741.4567 2117.2895 1976.2999 104.3887 -206346.7003 17953.9099 0.0000 0.0000 34222.1345 -149231.2212 298.8704 -183453.3557 -149132.1702 298.6423 6.5472 38.6891 557526.9167 16.8778 17.0904 PRESSURE: 182400 111.222 36.3498 7.93254 36.3497 -195.614 -85.5488 7.93257 -85.5497 91.1739 GPRESSURE: 182400 134.416 67.7243 2.02504 -41.7877 -133.975 -137.744 25.7211 -74.5686 117.619 PRESSAVG: 182400 -47.5112 -12.7198 -12.644 -12.7198 88.1757 -82.7303 -12.644 -82.7303 -48.8938 GPRESSAVG: 182400 -45.1859 -14.174 -12.0447 -12.9881 87.5979 -81.5908 -11.1595 -84.4927 -50.2794 TIMING: 182400 CPU: 530.325, 0.00292298/step Wall: 530.325, 0.00292298/step, 3.91159 hours remaining, 202.164062 MB of memory in use. ENERGY: 182400 743.5865 2074.7038 1941.9712 119.8686 -206211.1295 18053.5598 0.0000 0.0000 33950.1280 -149327.3115 296.4949 -183277.4395 -149233.8205 298.5539 2.2607 39.3536 558810.2910 -2.7431 -2.6225 PRESSURE: 182600 -202.182 -45.2951 126.451 -45.2949 -22.6815 -71.8004 126.451 -71.801 -138.259 GPRESSURE: 182600 -190.166 -4.99116 199.134 -52.2691 13.4646 -142.592 70.0025 -72.3602 -84.7114 PRESSAVG: 182600 -9.39059 61.8674 12.4588 61.8673 -50.5997 -28.5195 12.4588 -28.5197 55.3013 GPRESSAVG: 182600 -9.95022 62.2377 13.9421 63.9401 -51.0879 -29.6075 10.573 -28.3742 56.4776 TIMING: 182600 CPU: 530.908, 0.00291476/step Wall: 530.908, 0.00291476/step, 3.90043 hours remaining, 202.164062 MB of memory in use. ENERGY: 182600 744.4599 2078.1941 1970.9354 118.1601 -206370.3747 17933.5833 0.0000 0.0000 34116.9267 -149408.1152 297.9516 -183525.0419 -149311.0465 299.1102 -121.0406 -87.1377 558845.8883 -1.5630 -1.5202 PRESSURE: 182800 191.905 -107.239 141.333 -107.239 -25.5377 -58.0644 141.332 -58.065 -201.007 GPRESSURE: 182800 177.275 2.51854 173.694 -194.945 -8.60355 -23.1156 148.541 -38.1124 -96.333 PRESSAVG: 182800 18.8608 7.94558 -2.46745 7.94548 -3.07844 -11.4695 -2.46741 -11.4695 7.02052 GPRESSAVG: 182800 18.3144 8.47684 -1.30322 4.5457 -4.21203 -12.0427 -2.18569 -10.7827 8.61778 TIMING: 182800 CPU: 531.491, 0.00291219/step Wall: 531.491, 0.00291219/step, 3.89684 hours remaining, 202.164062 MB of memory in use. ENERGY: 182800 782.1511 2064.2043 1973.3614 113.4250 -206593.0518 18018.7959 0.0000 0.0000 34327.0096 -149314.1045 299.7863 -183641.1141 -149208.6611 298.7585 -11.5468 24.1129 556152.4128 7.6010 7.5734 PRESSURE: 183000 -225.383 -146.761 102.55 -146.763 -162.912 4.55283 102.549 4.55257 90.7875 GPRESSURE: 183000 -138.412 -153.455 -17.233 -110.236 -123.488 -58.553 96.7142 42.6556 70.3162 PRESSAVG: 183000 -39.5162 -16.4753 -3.2776 -16.4754 16.3143 -30.4688 -3.27755 -30.4688 32.2741 GPRESSAVG: 183000 -38.7864 -17.5767 -6.05737 -15.119 17.9191 -29.7059 -1.61261 -29.3682 29.94 TIMING: 183000 CPU: 532.069, 0.0028909/step Wall: 532.069, 0.0028909/step, 3.86818 hours remaining, 202.164062 MB of memory in use. ENERGY: 183000 776.9695 2115.6160 1987.3465 109.2749 -206385.0488 17712.4421 0.0000 0.0000 34386.0982 -149297.3017 300.3023 -183683.3999 -149197.3428 299.2835 -99.1691 -63.8611 557195.1867 3.0241 3.0243 PRESSURE: 183200 26.3561 120.012 93.3478 120.012 -308.881 -50.0442 93.3478 -50.044 165.616 GPRESSURE: 183200 110.513 50.4271 120.322 171.498 -262.597 8.59664 157.379 -75.1608 118.278 PRESSAVG: 183200 -33.021 4.95299 67.354 4.95308 47.8708 -14.7806 67.354 -14.7806 -28.8888 GPRESSAVG: 183200 -33.4465 4.75465 68.7952 6.36158 46.5463 -12.5978 63.9091 -17.3229 -27.2704 TIMING: 183200 CPU: 532.644, 0.00287629/step Wall: 532.644, 0.00287629/step, 3.84847 hours remaining, 202.164062 MB of memory in use. ENERGY: 183200 747.2684 2077.4548 1946.2298 106.9092 -206102.5256 17832.1472 0.0000 0.0000 34139.2230 -149253.2932 298.1463 -183392.5162 -149153.0463 299.1295 -38.9696 -11.2685 559531.7478 -4.6797 -4.7235 PRESSURE: 183400 -37.438 -148.303 -96.5459 -148.304 -152.084 -23.0625 -96.5459 -23.0618 99.2887 GPRESSURE: 183400 -63.8419 -209.665 -17.6611 -145.373 -115.884 1.87363 -89.7441 24.3052 177.915 PRESSAVG: 183400 25.7246 -2.31045 16.234 -2.31049 -32.8856 -29.1281 16.2339 -29.128 20.4501 GPRESSAVG: 183400 26.5581 -1.75195 16.9528 -4.62302 -32.9517 -29.071 18.5994 -28.6271 20.1224 TIMING: 183400 CPU: 533.226, 0.00290679/step Wall: 533.226, 0.00290679/step, 3.88913 hours remaining, 202.164062 MB of memory in use. ENERGY: 183400 741.9634 2122.5263 1988.2597 114.9164 -206059.2124 17688.1891 0.0000 0.0000 34254.4813 -149148.8761 299.1529 -183403.3574 -149054.2668 299.3962 -30.0778 -0.6034 558096.0057 4.4297 4.5763 PRESSURE: 183600 65.5921 -18.1597 139.214 -18.1588 68.8063 -23.0439 139.213 -23.0427 95.1879 GPRESSURE: 183600 144.391 -42.3037 136.155 -15.3305 66.4752 -46.0745 78.6338 -95.139 117.983 PRESSAVG: 183600 -14.5805 12.8783 7.13131 12.8783 -23.5581 25.3428 7.13129 25.3429 48.4074 GPRESSAVG: 183600 -14.996 13.9343 9.15167 13.175 -23.2571 24.0323 5.98145 26.1205 48.8205 TIMING: 183600 CPU: 533.806, 0.00290137/step Wall: 533.806, 0.00290137/step, 3.88172 hours remaining, 202.164062 MB of memory in use. ENERGY: 183600 758.7144 2083.0744 1986.7262 123.4397 -206188.8662 17829.8963 0.0000 0.0000 34262.3688 -149144.6463 299.2218 -183407.0151 -149049.1986 299.3971 76.5287 109.6164 557071.2316 3.4229 3.5225 PRESSURE: 183800 -171.225 21.4045 -31.4169 21.4046 -103.095 -110.907 -31.4168 -110.906 155.264 GPRESSURE: 183800 -156.409 -10.6196 -49.124 8.9056 -69.5318 -132.655 0.190644 -75.5733 199.191 PRESSAVG: 183800 -31.4977 29.582 -44.1748 29.582 -84.3525 6.2767 -44.1749 6.27684 97.7156 GPRESSAVG: 183800 -30.0139 28.8463 -45.962 28.8541 -84.3024 5.9695 -45.1118 5.82339 96.6192 TIMING: 183800 CPU: 534.385, 0.00289795/step Wall: 534.385, 0.00289795/step, 3.87698 hours remaining, 202.164062 MB of memory in use. ENERGY: 183800 776.9905 2148.3268 1980.2819 115.7698 -206115.4377 17684.4541 0.0000 0.0000 34350.1949 -149059.4198 299.9888 -183409.6146 -148959.2677 299.6492 -39.6854 -8.9165 556263.0535 -6.0449 -5.8991 PRESSURE: 184000 -300.639 -126.68 -165.799 -126.679 9.87361 174.078 -165.798 174.077 55.5618 GPRESSURE: 184000 -274.033 4.50126 -237.133 -193.64 108.022 227.2 -211.547 173.522 13.9589 PRESSAVG: 184000 -70.8521 14.4308 -20.0714 14.4307 -14.1729 -0.872541 -20.0714 -0.872573 41.6868 GPRESSAVG: 184000 -72.7291 14.6337 -20.041 16.323 -14.1653 -1.8391 -21.1805 1.28849 43.391 TIMING: 184000 CPU: 534.969, 0.00291603/step Wall: 534.969, 0.00291603/step, 3.901 hours remaining, 202.164062 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: 184000 764.1950 2072.1011 1992.4062 130.1839 -206087.7653 17701.8259 0.0000 0.0000 34255.0930 -149171.9602 299.1582 -183427.0532 -149072.9669 299.4674 -78.4012 -50.6839 557786.1551 -14.4461 -14.5011 PRESSURE: 184200 -225.801 68.4787 -8.30456 68.4797 -208.092 104.603 -8.30628 104.602 195.763 GPRESSURE: 184200 -153.612 97.2527 -0.299365 96.1426 -213.28 34.372 -35.3395 128.946 218.506 PRESSAVG: 184200 27.2019 9.84183 -5.15852 9.84177 -16.6997 3.38245 -5.15846 3.38237 -5.88694 GPRESSAVG: 184200 28.2128 11.9893 -5.48541 7.32175 -17.0057 5.46086 -5.5617 0.381865 -6.1608 TIMING: 184200 CPU: 535.555, 0.00293391/step Wall: 535.555, 0.00293391/step, 3.92475 hours remaining, 202.164062 MB of memory in use. ENERGY: 184200 776.9104 2151.7148 1992.6020 123.8540 -206152.7987 17671.5437 0.0000 0.0000 34506.6555 -148929.5183 301.3552 -183436.1737 -148833.4146 299.6358 -79.3765 -49.4621 557319.1916 1.5384 1.6821 LDB: ============= START OF LOAD BALANCING ============== 539.022 LDB: ============== END OF LOAD BALANCING =============== 539.022 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 539.023 LDB: ============= START OF LOAD BALANCING ============== 539.311 LDB: Largest compute 4820 load 0.030634 is 26.1% of average load 0.117433 LDB: Average compute 0.001722 is 1.5% of average load 0.117433 LDB: TIME 539.314 LOAD: AVG 0.117433 MAX 0.17812 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.895 MB LDB: TIME 539.314 LOAD: AVG 0.117433 MAX 0.17812 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.957 MB LDB: TIME 539.314 LOAD: AVG 0.117433 MAX 0.17812 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.957 MB LDB: ============== END OF LOAD BALANCING =============== 539.316 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 539.32 PRESSURE: 184400 -28.6443 -88.2 0.925236 -88.1987 5.56372 10.5381 0.924828 10.5386 -364.843 GPRESSURE: 184400 -8.48515 -117.399 3.49772 -29.2377 44.5244 8.20455 -24.0303 -64.8592 -328.13 PRESSAVG: 184400 26.2889 -10.7016 39.9546 -10.7015 -98.327 55.8941 39.9545 55.894 33.6571 GPRESSAVG: 184400 26.0637 -12.6268 39.0428 -9.44428 -98.0668 54.361 43.9979 58.0766 33.385 TIMING: 184400 CPU: 536.145, 0.00294627/step Wall: 536.145, 0.00294627/step, 3.94113 hours remaining, 200.796875 MB of memory in use. ENERGY: 184400 766.2391 2150.3310 1972.8240 116.3167 -205862.3847 17672.8624 0.0000 0.0000 34225.0224 -148958.7890 298.8956 -183183.8114 -148862.4101 299.9019 -129.3078 -97.3634 558989.0668 -12.7937 -12.8727 PRESSURE: 184600 415.119 -70.9109 111.721 -70.9097 -86.3764 -8.81355 111.721 -8.81435 130.962 GPRESSURE: 184600 394.663 -133.752 48.3391 -105.785 -23.9266 -63.7466 130.27 18.5958 175.714 PRESSAVG: 184600 14.9552 8.84258 37.8419 8.84248 -66.2052 -8.19658 37.8418 -8.19662 54.3155 GPRESSAVG: 184600 14.5329 9.55387 37.5152 9.87151 -65.056 -7.40862 35.0083 -10.7395 53.426 TIMING: 184600 CPU: 536.726, 0.0029077/step Wall: 536.726, 0.0029077/step, 3.88938 hours remaining, 201.000000 MB of memory in use. ENERGY: 184600 775.6213 2035.9647 1990.4980 116.5165 -206826.6614 18045.8018 0.0000 0.0000 34638.4443 -149223.8148 302.5061 -183862.2591 -149115.7457 299.3359 153.2348 182.1500 555800.9070 1.0218 0.9676 PRESSURE: 184800 -203.182 247.182 -102.485 247.181 59.4504 -91.4583 -102.484 -91.4574 176.871 GPRESSURE: 184800 -194.244 164.426 -125.954 277.434 45.6365 -116.558 8.21608 -104.649 273.99 PRESSAVG: 184800 36.2411 34.6323 1.31394 34.6322 -68.5268 18.0376 1.31398 18.0377 42.7647 GPRESSAVG: 184800 36.7474 33.9103 1.337 35.4436 -69.4818 17.0391 3.07923 19.9599 43.528 TIMING: 184800 CPU: 537.306, 0.00289658/step Wall: 537.306, 0.00289658/step, 3.87434 hours remaining, 201.000000 MB of memory in use. ENERGY: 184800 739.1007 2116.2162 1964.5876 115.5669 -206116.8861 17746.0081 0.0000 0.0000 34161.2767 -149274.1299 298.3389 -183435.4066 -149171.1654 298.7382 11.0464 41.7944 556905.8438 3.4930 3.5978 PRESSURE: 185000 24.7238 -102.619 -35.68 -102.618 -229.395 -84.9315 -35.6808 -84.9314 107.423 GPRESSURE: 185000 64.8803 -83.2833 -41.0285 -101.934 -160.887 13.8276 -1.56324 -183.43 99.5676 PRESSAVG: 185000 -40.2463 5.39551 -18.9986 5.39555 -102.399 -1.50417 -18.9985 -1.50407 127.566 GPRESSAVG: 185000 -40.4624 4.63693 -19.323 5.25571 -101.254 0.930314 -19.7127 -4.05872 126.751 TIMING: 185000 CPU: 537.885, 0.00289746/step Wall: 537.885, 0.00289746/step, 3.87535 hours remaining, 201.000000 MB of memory in use. ENERGY: 185000 759.4981 2151.5296 1971.0890 121.4183 -205996.1458 17529.6982 0.0000 0.0000 34242.5077 -149220.4049 299.0483 -183462.9126 -149121.9122 298.5745 -32.4160 1.1869 556398.5700 -5.0266 -4.9885 PRESSURE: 185200 13.6317 22.1661 168.916 22.1666 98.2273 -94.5709 168.917 -94.5713 329.339 GPRESSURE: 185200 42.2463 -12.8287 211.606 49.4116 108.902 -86.4605 156.458 -106.983 392.214 PRESSAVG: 185200 -10.4981 -28.6212 -18.6733 -28.6211 -4.93203 14.0566 -18.6734 14.0567 67.1182 GPRESSAVG: 185200 -10.8329 -27.4447 -16.4112 -29.1722 -5.82897 13.2987 -19.3338 17.0617 67.787 TIMING: 185200 CPU: 538.463, 0.00288943/step Wall: 538.463, 0.00288943/step, 3.86445 hours remaining, 201.000000 MB of memory in use. ENERGY: 185200 736.2885 2111.3048 2012.8764 104.0155 -206623.2070 18128.7027 0.0000 0.0000 34337.7836 -149192.2356 299.8804 -183530.0192 -149100.4830 299.4347 147.0661 181.1207 557064.3576 17.2294 17.0417 PRESSURE: 185400 27.1495 -48.7273 -18.0845 -48.7265 -9.24608 206.334 -18.0823 206.333 -78.9368 GPRESSURE: 185400 64.835 -28.7688 49.0576 -61.376 -3.68176 158.922 -84.7818 124.827 -14.0471 PRESSAVG: 185400 -46.244 4.88262 -5.66535 4.88251 -32.9317 9.51305 -5.66535 9.51305 87.2628 GPRESSAVG: 185400 -46.0833 5.29696 -6.35414 6.57557 -32.1008 10.0206 -5.22303 8.17467 86.4774 TIMING: 185400 CPU: 539.038, 0.00287325/step Wall: 539.038, 0.00287325/step, 3.84265 hours remaining, 201.000000 MB of memory in use. ENERGY: 185400 776.0083 2117.8070 1965.3208 109.2360 -206492.7532 17850.4361 0.0000 0.0000 34531.9283 -149142.0167 301.5759 -183673.9450 -149049.8261 299.6262 -20.3444 15.7021 556568.5118 2.6957 2.7645 PRESSURE: 185600 -237.774 -43.7543 -188.929 -43.7541 -20.9345 -89.599 -188.928 -89.5989 -56.4483 GPRESSURE: 185600 -168.459 -40.427 -110.1 -77.0486 -29.5217 -166.643 -141.15 -65.3419 -18.6811 PRESSAVG: 185600 -39.0507 17.0691 8.59253 17.069 -9.27307 -61.8015 8.59244 -61.8015 17.4592 GPRESSAVG: 185600 -39.2075 14.5169 8.58883 16.7401 -9.728 -63.0917 11.0669 -61.4205 18.0611 TIMING: 185600 CPU: 539.611, 0.00286737/step Wall: 539.611, 0.00286737/step, 3.83463 hours remaining, 201.000000 MB of memory in use. ENERGY: 185600 739.4902 2101.5787 1985.0167 127.3926 -206019.5817 17634.9384 0.0000 0.0000 34311.4347 -149119.7304 299.6503 -183431.1650 -149016.0413 299.7246 -105.0521 -72.2206 557911.8617 -10.2882 -10.2915 PRESSURE: 185800 50.7594 55.7282 -6.073 55.7276 101.632 -134.691 -6.07341 -134.69 -5.55324 GPRESSURE: 185800 80.9336 115.172 -32.6876 38.7527 149.762 -64.6194 -17.6332 -161.143 4.41668 PRESSAVG: 185800 -52.2571 -6.68381 -27.569 -6.68383 54.7761 -36.3162 -27.5689 -36.3162 53.2181 GPRESSAVG: 185800 -52.2271 -5.44008 -29.6753 -6.83828 54.2877 -35.5077 -27.5484 -36.1698 53.5992 TIMING: 185800 CPU: 540.19, 0.00289382/step Wall: 540.19, 0.00289382/step, 3.86984 hours remaining, 201.000000 MB of memory in use. ENERGY: 185800 746.0858 2072.9279 2008.2397 119.9148 -206610.4155 18001.7286 0.0000 0.0000 34367.4881 -149294.0307 300.1398 -183661.5188 -149196.4226 299.3358 48.9460 78.3708 557057.2191 18.5790 18.5533 PRESSURE: 186000 -99.0819 -252.242 -26.8871 -252.24 -132.446 -107.856 -26.8876 -107.857 -30.5677 GPRESSURE: 186000 -30.9747 -202.191 -47.1329 -245.255 -126.795 -149.216 4.0502 -91.8075 1.04 PRESSAVG: 186000 -7.06803 -45.094 -16.813 -45.094 25.6569 -11.7207 -16.8129 -11.7209 -28.6052 GPRESSAVG: 186000 -7.28998 -43.1833 -15.4633 -46.3259 26.3982 -10.0513 -16.4479 -12.3528 -29.1234 TIMING: 186000 CPU: 540.771, 0.00290379/step Wall: 540.771, 0.00290379/step, 3.88301 hours remaining, 201.000000 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: 186000 761.4435 2102.9821 1972.6700 124.1681 -205871.9717 17537.6932 0.0000 0.0000 34079.6579 -149293.3570 297.6261 -183373.0148 -149199.8127 298.9876 -87.3653 -52.2433 557130.6051 -3.3388 -3.3384 PRESSURE: 186200 -206.423 -41.2914 -107.117 -41.2901 -63.7475 -145.156 -107.116 -145.157 -218.892 GPRESSURE: 186200 -176.687 -15.1245 -149.404 -30.8602 -23.5219 -228.535 -98.4462 -154.759 -201.478 PRESSAVG: 186200 -92.7494 -64.3527 -5.94978 -64.3528 89.3948 -76.0477 -5.94981 -76.0477 8.63648 GPRESSAVG: 186200 -93.0443 -69.535 -6.61108 -61.4807 88.6133 -77.4377 -8.04023 -75.3851 9.30518 TIMING: 186200 CPU: 541.353, 0.00291175/step Wall: 541.353, 0.00291175/step, 3.8935 hours remaining, 201.000000 MB of memory in use. ENERGY: 186200 749.4286 2079.1373 1967.6009 112.8941 -205884.8020 17608.3077 0.0000 0.0000 34010.7911 -149356.6424 297.0247 -183367.4335 -149257.8389 299.1792 -163.0210 -133.8956 556898.3161 1.7606 1.6247 PRESSURE: 186400 -26.5604 249.405 -30.8435 249.406 -293.565 32.7295 -30.8447 32.7292 -185.506 GPRESSURE: 186400 55.5402 270.766 -35.2222 298.26 -278.998 78.7719 -62.691 37.5478 -199.386 PRESSAVG: 186400 -66.1891 -10.4466 -33.9004 -10.4465 -3.07976 -54.6614 -33.9003 -54.6613 69.2562 GPRESSAVG: 186400 -65.2886 -6.62067 -32.6247 -12.8613 -3.12992 -55.7636 -34.8353 -53.4726 68.2316 TIMING: 186400 CPU: 541.93, 0.00288706/step Wall: 541.93, 0.00288706/step, 3.86032 hours remaining, 201.000000 MB of memory in use. ENERGY: 186400 741.1010 2136.2805 1938.9506 112.1951 -206040.2319 17533.4467 0.0000 0.0000 34206.0372 -149372.2208 298.7298 -183578.2580 -149274.0164 298.7591 -168.5437 -140.9480 557129.6869 -0.0042 -0.0623 PRESSURE: 186600 -125.934 161.707 245.125 161.707 73.9277 -156.639 245.125 -156.638 -69.1818 GPRESSURE: 186600 -123.528 98.6414 201.369 179.394 65.8082 -153.696 187.589 -119.138 14.908 PRESSAVG: 186600 28.6642 38.3146 31.3228 38.3146 -22.5975 -68.7292 31.3229 -68.7292 -16.708 GPRESSAVG: 186600 27.761 40.0737 31.6294 38.4042 -21.9055 -67.3529 32.2041 -69.936 -17.3255 TIMING: 186600 CPU: 542.514, 0.00291708/step Wall: 542.514, 0.00291708/step, 3.9003 hours remaining, 201.000000 MB of memory in use. ENERGY: 186600 737.5510 2033.2808 1971.1692 117.5027 -206468.6219 17901.2684 0.0000 0.0000 34239.5184 -149468.3314 299.0222 -183707.8498 -149377.9136 298.4627 -40.3959 -14.2707 559386.1856 -3.5471 -3.8234 PRESSURE: 186800 213.384 13.7929 75.1715 13.7941 -222.083 183.959 75.17 183.959 149.969 GPRESSURE: 186800 258.691 -39.1546 40.5438 67.0887 -232.583 121.075 89.4409 197.547 212.116 PRESSAVG: 186800 -32.368 1.82467 -7.81814 1.82474 15.0147 30.8662 -7.81808 30.8661 32.8314 GPRESSAVG: 186800 -33.7218 0.783675 -8.92165 1.43505 13.565 31.0861 -7.44278 30.9163 35.1484 TIMING: 186800 CPU: 543.091, 0.00288638/step Wall: 543.091, 0.00288638/step, 3.8591 hours remaining, 201.000000 MB of memory in use. ENERGY: 186800 722.8862 2118.4135 1976.4970 109.9193 -206295.2379 17861.6393 0.0000 0.0000 34040.3625 -149465.5200 297.2830 -183505.8825 -149369.0343 298.3798 47.0901 79.4081 556862.0988 5.1594 4.9972 PRESSURE: 187000 18.0415 -72.3949 70.0143 -72.3945 -227.415 -38.6842 70.0133 -38.6847 26.9982 GPRESSURE: 187000 92.0008 -103.809 18.2971 14.7085 -205.35 -78.7023 109.561 -36.3497 15.1008 PRESSAVG: 187000 21.164 -25.7605 -17.5522 -25.7604 -81.1117 -12.8511 -17.5522 -12.8511 71.1433 GPRESSAVG: 187000 22.3712 -26.5234 -18.4986 -26.3789 -80.0034 -13.2675 -18.4265 -12.6524 69.3972 TIMING: 187000 CPU: 543.673, 0.00290972/step Wall: 543.673, 0.00290972/step, 3.89013 hours remaining, 201.000000 MB of memory in use. ENERGY: 187000 730.4999 2095.3607 1960.9121 120.6047 -206148.4982 17689.4800 0.0000 0.0000 34090.5163 -149461.1246 297.7210 -183551.6409 -149361.9875 298.3739 -60.7919 -32.7495 557963.1130 3.7319 3.9216 PRESSURE: 187200 216.586 -106.536 60.6199 -106.535 177.639 8.47248 60.6213 8.4722 -288.325 GPRESSURE: 187200 207.993 -84.5375 51.5658 -49.4158 195.545 -17.1177 -5.22087 41.9641 -206.996 PRESSAVG: 187200 52.8561 -61.7746 44.841 -61.7747 -33.215 19.3352 44.841 19.3352 -20.9951 GPRESSAVG: 187200 52.9305 -59.0254 46.4246 -62.4622 -33.2476 18.0527 44.273 19.0851 -21.211 TIMING: 187200 CPU: 544.256, 0.0029159/step Wall: 544.256, 0.0029159/step, 3.89823 hours remaining, 201.000000 MB of memory in use. ENERGY: 187200 769.1812 2041.9816 1960.8989 115.8351 -206699.9962 18103.6470 0.0000 0.0000 34140.8093 -149567.6431 298.1602 -183708.4524 -149473.6913 297.9092 35.3002 65.5142 558138.2450 -0.4513 -0.5094 PRESSURE: 187400 -249.403 -52.377 86.8058 -52.3766 -102.455 36.4708 86.8052 36.4698 -23.6361 GPRESSURE: 187400 -191.517 -31.1173 119.674 -100.057 -100.924 9.37872 125.286 -9.89008 6.61243 PRESSAVG: 187400 10.4425 -0.48127 53.9701 -0.481276 32.776 28.0049 53.9702 28.0049 -2.60196 GPRESSAVG: 187400 10.739 -0.82798 55.2059 0.691085 31.927 29.1083 53.8709 27.8717 -2.10742 TIMING: 187400 CPU: 544.837, 0.00290476/step Wall: 544.837, 0.00290476/step, 3.88318 hours remaining, 201.000000 MB of memory in use. ENERGY: 187400 749.5840 2028.2346 2011.0889 119.2730 -206373.0978 17860.6325 0.0000 0.0000 34106.9555 -149497.3293 297.8645 -183604.2849 -149397.9871 298.3962 -125.1646 -95.2760 559409.9971 13.5389 13.5195 PRESSURE: 187600 -145.131 -72.8484 -33.677 -72.8481 -160.555 -111.417 -33.6762 -111.417 -49.2554 GPRESSURE: 187600 -86.5034 -18.3584 20.0796 -108.905 -114.059 -127.318 -107.441 -136.243 -54.2672 PRESSAVG: 187600 -7.67041 -13.2465 -2.74087 -13.2465 -0.953681 -13.1455 -2.74088 -13.1455 -44.4237 GPRESSAVG: 187600 -8.27222 -13.8741 -2.12513 -15.4899 -0.0857012 -15.4355 -3.74143 -12.1302 -45.1363 TIMING: 187600 CPU: 545.416, 0.00289593/step Wall: 545.416, 0.00289593/step, 3.87122 hours remaining, 201.000000 MB of memory in use. ENERGY: 187600 759.7097 2077.0518 2003.9952 105.7236 -206383.5734 17779.2566 0.0000 0.0000 34219.6821 -149438.1543 298.8490 -183657.8365 -149339.9940 298.1005 -118.3137 -84.9432 557605.0720 -17.6826 -17.8314 PRESSURE: 187800 101.394 -96.5956 14.5409 -96.5952 50.994 -86.4801 14.5406 -86.4796 -2.40484 GPRESSURE: 187800 107.648 -159.511 -18.844 -97.1343 56.4677 64.2397 20.4706 -166.809 99.3571 PRESSAVG: 187800 -5.03055 -30.4159 -0.472578 -30.4159 -31.1315 -21.0775 -0.472657 -21.0774 56.1709 GPRESSAVG: 187800 -4.89457 -30.9578 -2.10639 -26.4078 -30.9224 -18.9849 1.46801 -20.5752 55.5069 TIMING: 187800 CPU: 545.994, 0.00288651/step Wall: 545.994, 0.00288651/step, 3.85846 hours remaining, 201.000000 MB of memory in use. ENERGY: 187800 735.8489 2050.5880 1976.6092 135.9136 -206553.3004 17988.7243 0.0000 0.0000 34313.1695 -149352.4469 299.6654 -183665.6163 -149260.2750 298.4465 49.9945 87.8241 555954.8353 6.6696 6.5633 PRESSURE: 188000 -116.067 -111.072 -22.8988 -111.072 -271.849 -53.6333 -22.8994 -53.6333 -426.95 GPRESSURE: 188000 -111.629 -78.7305 -32.3887 -97.8106 -217.508 49.4676 -32.7925 -117.37 -383.081 PRESSAVG: 188000 21.3668 -59.1194 18.2549 -59.1193 -40.6856 -65.086 18.255 -65.0861 14.5142 GPRESSAVG: 188000 21.8209 -58.7649 18.9657 -62.782 -41.3259 -65.8358 18.2823 -64.1139 14.5122 TIMING: 188000 CPU: 546.568, 0.00287054/step Wall: 546.568, 0.00287054/step, 3.83696 hours remaining, 201.000000 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: 188000 788.5501 2111.7302 1972.2363 122.7838 -205854.4087 17522.4618 0.0000 0.0000 34071.9254 -149264.7212 297.5586 -183336.6466 -149172.6300 299.0766 -271.6217 -237.4061 557705.1728 -1.6015 -1.6643 PRESSURE: 188200 329.79 -50.1977 -151.259 -50.198 -242.369 -182.533 -151.259 -182.533 -182.279 GPRESSURE: 188200 316.007 -76.4558 -118.014 -102.009 -156.152 -280.273 -102.014 -111.608 -165.575 PRESSAVG: 188200 51.8658 -99.536 -26.9093 -99.536 17.3907 -46.6304 -26.9093 -46.6304 -22.4373 GPRESSAVG: 188200 51.5176 -99.584 -27.5576 -98.2154 17.865 -46.6939 -26.1731 -46.2699 -22.5602 TIMING: 188200 CPU: 547.144, 0.0028805/step Wall: 547.144, 0.0028805/step, 3.85011 hours remaining, 201.000000 MB of memory in use. ENERGY: 188200 695.0894 2083.7817 1970.7413 104.8486 -206241.3629 17617.3601 0.0000 0.0000 34419.9098 -149349.6319 300.5976 -183769.5418 -149256.5641 298.7316 -31.6193 -1.9066 557870.3646 15.6064 15.6075 LDB: ============= START OF LOAD BALANCING ============== 550.609 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 550.609 LDB: =============== DONE WITH MIGRATION ================ 550.611 LDB: ============= START OF LOAD BALANCING ============== 550.899 LDB: Largest compute 4820 load 0.029976 is 25.5% of average load 0.117441 LDB: Average compute 0.001721 is 1.5% of average load 0.117441 LDB: TIME 550.902 LOAD: AVG 0.117441 MAX 0.175591 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.992 MB LDB: TIME 550.902 LOAD: AVG 0.117441 MAX 0.175591 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.992 MB LDB: TIME 550.902 LOAD: AVG 0.117441 MAX 0.175591 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 550.904 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 550.908 PRESSURE: 188400 25.3693 76.9622 -61.4803 76.9628 153.491 113.694 -61.4797 113.692 128.337 GPRESSURE: 188400 123.397 42.8333 -25.5694 191.795 193.985 34.2457 -63.2311 117.594 70.4739 PRESSAVG: 188400 -64.9087 -39.6286 -43.7759 -39.6286 28.9034 7.68344 -43.776 7.68335 36.1622 GPRESSAVG: 188400 -64.7538 -40.2963 -45.0316 -38.372 29.3509 7.81783 -44.1247 6.55511 35.5972 TIMING: 188400 CPU: 547.733, 0.00294466/step Wall: 547.733, 0.00294466/step, 3.9357 hours remaining, 201.394531 MB of memory in use. ENERGY: 188400 749.9388 2037.1920 1947.4838 105.3163 -206326.8651 18083.9255 0.0000 0.0000 34113.8777 -149289.1310 297.9250 -183403.0087 -149196.7900 299.4558 102.3992 129.2855 557341.3796 0.0523 0.0648 PRESSURE: 188600 178.133 -29.9673 -1.64905 -29.9686 100.746 7.15172 -1.64951 7.15224 -3.5243 GPRESSURE: 188600 203.91 -55.9613 55.5623 21.8166 132.022 -1.20562 -27.8115 4.73429 30.9314 PRESSAVG: 188600 7.10963 -19.7457 29.5291 -19.7458 -17.3087 42.2592 29.5291 42.259 41.6018 GPRESSAVG: 188600 6.92235 -19.3057 30.7296 -23.1892 -17.6135 43.1998 28.8743 42.0378 42.7451 TIMING: 188600 CPU: 548.308, 0.00287793/step Wall: 548.308, 0.00287793/step, 3.84635 hours remaining, 201.539062 MB of memory in use. ENERGY: 188600 733.0560 2045.6186 1972.0300 120.2422 -206496.9261 18055.5440 0.0000 0.0000 34205.4070 -149365.0283 298.7243 -183570.4353 -149275.9445 298.8162 91.7849 122.2878 558299.8353 10.4676 10.6847 PRESSURE: 188800 -161.13 49.1936 -30.5952 49.1936 53.3982 73.9357 -30.5946 73.933 228.388 GPRESSURE: 188800 -68.9432 107.613 -30.1773 -4.33634 76.9332 142.498 -25.6314 43.516 197.638 PRESSAVG: 188800 59.1992 -19.9869 23.5784 -19.9869 -26.5386 -28.588 23.5784 -28.588 -0.918448 GPRESSAVG: 188800 58.0672 -19.8219 25.0351 -20.6261 -25.7074 -27.9187 22.8156 -29.3979 -0.266344 TIMING: 188800 CPU: 548.884, 0.00287997/step Wall: 548.884, 0.00287997/step, 3.84891 hours remaining, 201.539062 MB of memory in use. ENERGY: 188800 723.6655 2087.3528 1981.7517 115.8087 -206392.4222 17897.7579 0.0000 0.0000 34292.2157 -149293.8699 299.4824 -183586.0856 -149205.7265 298.7357 40.2188 68.5426 557115.8798 10.5807 10.6978 PRESSURE: 189000 -11.7045 28.0931 -86.648 28.093 82.2334 41.6917 -86.6486 41.6917 78.7504 GPRESSURE: 189000 22.3787 23.3461 -12.569 74.1886 107.869 -19.3166 -49.7572 63.0972 124.552 PRESSAVG: 189000 -55.913 19.4115 -8.80479 19.4114 -4.16633 9.80635 -8.80483 9.80639 41.7427 GPRESSAVG: 189000 -53.4434 19.1749 -10.1299 20.8475 -4.57803 8.7612 -8.70974 8.81263 39.6568 TIMING: 189000 CPU: 549.463, 0.00289218/step Wall: 549.463, 0.00289218/step, 3.86508 hours remaining, 201.539062 MB of memory in use. ENERGY: 189000 731.0006 2116.6702 1972.7190 108.3023 -206507.5099 17805.7837 0.0000 0.0000 34271.3372 -149501.6969 299.3001 -183773.0341 -149406.4408 299.0534 49.7598 84.9333 556854.0298 -6.1122 -6.1215 PRESSURE: 189200 -278.746 -0.139297 177.376 -0.13773 -12.586 -14.7216 177.377 -14.7208 -159.353 GPRESSURE: 189200 -204.229 -182.211 144.335 8.78299 -44.0812 75.5945 207.98 -42.7054 -100.692 PRESSAVG: 189200 0.875097 -15.4062 24.8207 -15.4062 -36.7174 11.3725 24.8208 11.3725 64.1874 GPRESSAVG: 189200 -0.350595 -15.8706 24.092 -13.5182 -37.5577 14.4 25.1437 12.1854 65.491 TIMING: 189200 CPU: 550.045, 0.00291093/step Wall: 550.045, 0.00291093/step, 3.88997 hours remaining, 201.539062 MB of memory in use. ENERGY: 189200 775.8798 2079.9775 1985.9624 124.6423 -206360.4037 17811.8858 0.0000 0.0000 34137.3942 -149444.6617 298.1304 -183582.0559 -149345.3966 299.2968 -150.2285 -116.3340 558540.2494 9.4484 9.1942 PRESSURE: 189400 -213.613 -45.4101 -92.5011 -45.4079 -352.116 160.514 -92.5012 160.514 -313.098 GPRESSURE: 189400 -189.021 -35.2979 -106.338 -58.9581 -299.17 174.317 -60.7658 140.417 -292.676 PRESSAVG: 189400 -57.9401 -11.3805 29.4925 -11.3805 49.1566 -9.56628 29.4927 -9.56631 -20.8862 GPRESSAVG: 189400 -57.6933 -8.91088 28.9395 -13.1184 49.1832 -11.0096 30.9596 -7.90761 -20.664 TIMING: 189400 CPU: 550.627, 0.00291015/step Wall: 550.627, 0.00291015/step, 3.88877 hours remaining, 201.539062 MB of memory in use. ENERGY: 189400 743.2094 2006.7065 1986.2315 104.8758 -205865.2834 17411.3334 0.0000 0.0000 34133.8553 -149479.0715 298.0994 -183612.9268 -149375.3002 297.7279 -292.9421 -260.2891 558760.2185 -9.8899 -9.7247 PRESSURE: 189600 -270.209 -110.99 -54.5972 -110.991 -112.996 -20.6048 -54.5972 -20.6056 -222.78 GPRESSURE: 189600 -267.085 -60.1158 -103.313 -155.12 -117.433 -28.0255 14.5812 10.6747 -131.186 PRESSAVG: 189600 16.4704 18.0825 2.85968 18.0824 -6.60926 21.7787 2.85968 21.7788 -32.4474 GPRESSAVG: 189600 15.8666 15.5743 1.20632 19.9041 -5.85429 20.7327 3.50939 21.6175 -32.6191 TIMING: 189600 CPU: 551.209, 0.00290935/step Wall: 551.209, 0.00290935/step, 3.88753 hours remaining, 201.664062 MB of memory in use. ENERGY: 189600 732.4362 2053.4015 1990.0636 103.1286 -205991.3037 17654.8105 0.0000 0.0000 33953.6627 -149503.8006 296.5258 -183457.4634 -149415.0593 298.6171 -201.9952 -171.9014 558014.0827 -7.5288 -7.5356 PRESSURE: 189800 -100.16 7.15338 -33.0992 7.15329 -250.561 -64.5697 -33.0977 -64.5701 81.093 GPRESSURE: 189800 -54.4928 40.3645 -48.5587 1.06156 -226.2 68.8665 0.0514393 -178.601 117.175 PRESSAVG: 189800 36.9686 23.9573 -59.042 23.9574 -38.1093 -13.5121 -59.042 -13.5122 -42.4535 GPRESSAVG: 189800 37.188 23.3635 -55.7833 23.254 -39.349 -12.6227 -61.6288 -14.021 -41.5169 TIMING: 189800 CPU: 551.802, 0.00296415/step Wall: 551.802, 0.00296415/step, 3.9606 hours remaining, 201.664062 MB of memory in use. ENERGY: 189800 729.9530 2038.5326 2007.6444 102.6268 -206254.8954 17710.8435 0.0000 0.0000 34024.5921 -149640.7031 297.1452 -183665.2951 -149542.8147 297.7791 -89.8759 -54.5059 559080.9427 -14.5314 -14.5593 PRESSURE: 190000 67.5598 225.308 119.021 225.309 -244.203 -22.4837 119.02 -22.4838 -74.2703 GPRESSURE: 190000 125.679 188.456 154.286 223.305 -229.223 39.5489 96.4733 -50.577 -49.3452 PRESSAVG: 190000 66.6398 -38.3585 40.3334 -38.3585 -0.982693 -2.91992 40.3333 -2.91988 -107.163 GPRESSAVG: 190000 67.6856 -39.1713 41.4363 -37.8377 -0.32971 -4.09641 40.7257 -1.19832 -108.848 TIMING: 190000 CPU: 552.384, 0.00291409/step Wall: 552.384, 0.00291409/step, 3.89355 hours remaining, 201.664062 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: 190000 783.6889 2038.4715 1979.5571 105.5544 -206626.9668 17968.5655 0.0000 0.0000 34060.4072 -149690.7222 297.4580 -183751.1294 -149588.5690 297.8617 -83.6378 -50.9631 558814.4840 -13.8352 -13.8306 PRESSURE: 190200 -126.359 -24.364 -120.015 -24.364 -198.381 -92.7833 -120.015 -92.7851 -65.411 GPRESSURE: 190200 -131.339 -12.4577 -133.899 80.2059 -152.032 -128.318 -91.8711 -74.4741 -24.2948 PRESSAVG: 190200 -11.6295 0.783955 16.9209 0.783949 -7.699 -17.6653 16.9208 -17.6653 13.9446 GPRESSAVG: 190200 -13.4625 2.37536 12.7232 0.0678054 -7.44325 -17.2991 19.3099 -17.6157 15.336 TIMING: 190200 CPU: 552.967, 0.00291426/step Wall: 552.967, 0.00291426/step, 3.89361 hours remaining, 201.664062 MB of memory in use. ENERGY: 190200 731.5650 2020.0718 2006.5808 114.2353 -206576.1559 17782.7934 0.0000 0.0000 34021.1036 -149899.8060 297.1148 -183920.9096 -149806.5374 297.1190 -130.0503 -102.5554 558743.4625 -1.7947 -1.8566 PRESSURE: 190400 -113.726 -68.8661 12.0663 -68.8664 -21.3551 -145.149 12.0673 -145.149 -157.37 GPRESSURE: 190400 -86.305 -29.6316 43.309 -130.211 84.2795 -109.305 -38.7263 -180.191 -188.542 PRESSAVG: 190400 -35.8491 -2.36551 -21.4803 -2.36546 -27.1094 -5.62103 -21.4803 -5.62112 49.2897 GPRESSAVG: 190400 -35.884 -3.91698 -18.0964 -1.04793 -26.554 -8.08039 -23.4779 -5.67691 48.6635 TIMING: 190400 CPU: 553.552, 0.00292444/step Wall: 553.552, 0.00292444/step, 3.90705 hours remaining, 201.664062 MB of memory in use. ENERGY: 190400 763.2692 2062.6205 2018.0811 122.4163 -206491.6793 17808.6707 0.0000 0.0000 34127.8131 -149588.8084 298.0467 -183716.6215 -149495.1045 297.5785 -97.4838 -63.5224 558321.1956 -4.5562 -4.5915 PRESSURE: 190600 45.4848 37.8242 215.165 37.8239 116.073 -162.374 215.164 -162.374 -265.83 GPRESSURE: 190600 -6.66599 2.42598 125.298 61.0542 202.519 -129.455 239.824 -106.013 -195.241 PRESSAVG: 190600 18.1221 -14.9078 -7.3324 -14.9078 10.955 -74.9293 -7.33244 -74.9293 -31.5348 GPRESSAVG: 190600 20.7409 -15.6105 -9.22393 -15.7207 9.45437 -73.1283 -5.39469 -76.6277 -32.4712 TIMING: 190600 CPU: 554.131, 0.00289489/step Wall: 554.131, 0.00289489/step, 3.86741 hours remaining, 201.664062 MB of memory in use. ENERGY: 190600 732.0162 2060.2285 1979.4548 117.1931 -206563.8526 17809.2122 0.0000 0.0000 34332.0391 -149533.7088 299.8302 -183865.7479 -149430.7556 297.6961 -34.7575 0.2041 556951.1631 -0.8192 -0.7587 PRESSURE: 190800 182.816 36.8001 -223.354 36.8008 126.754 -2.22999 -223.354 -2.22923 168.232 GPRESSURE: 190800 187.823 140.066 -214.328 52.0099 171.713 -130.361 -232.477 47.7203 223.344 PRESSAVG: 190800 -12.4433 49.2731 14.5247 49.2731 34.1382 11.1544 14.5248 11.1544 -7.72959 GPRESSAVG: 190800 -14.0959 50.9804 16.5488 50.4921 34.9498 11.8052 11.512 9.31506 -6.55447 TIMING: 190800 CPU: 554.712, 0.00290561/step Wall: 554.712, 0.00290561/step, 3.88157 hours remaining, 201.664062 MB of memory in use. ENERGY: 190800 756.2959 2088.1841 1981.5294 121.0450 -207003.7563 18404.0251 0.0000 0.0000 34310.4391 -149342.2376 299.6416 -183652.6767 -149243.8305 297.9683 159.2674 194.2932 557721.3509 4.6551 4.7665 PRESSURE: 191000 -264.03 101.578 -151.246 101.579 -306.234 -36.5627 -151.245 -36.5624 57.0259 GPRESSURE: 191000 -261.475 74.1386 -150.768 123.731 -281.197 -28.4499 -184.495 -20.6088 126.625 PRESSAVG: 191000 -25.5019 -32.7963 23.8441 -32.7963 -61.9088 9.99567 23.844 9.9957 79.6217 GPRESSAVG: 191000 -24.9008 -32.9317 22.9893 -33.1492 -62.2825 7.14197 25.6961 13.241 78.8926 TIMING: 191000 CPU: 555.292, 0.00290003/step Wall: 555.292, 0.00290003/step, 3.87395 hours remaining, 201.664062 MB of memory in use. ENERGY: 191000 761.3074 2161.1424 1989.8805 116.6124 -206121.5140 17655.4071 0.0000 0.0000 34257.0878 -149180.0763 299.1757 -183437.1641 -149082.7415 299.1101 -171.0792 -138.6822 558094.1936 -2.5963 -2.7636 PRESSURE: 191200 -289.997 -11.9686 51.3664 -11.9684 145.269 -68.3806 51.3655 -68.3802 -18.3883 GPRESSURE: 191200 -232.298 14.2989 20.7097 -10.6692 167.263 -63.0598 160.449 -144.172 -13.5246 PRESSAVG: 191200 0.272466 -32.7979 37.0207 -32.7979 -23.2707 -30.0575 37.0206 -30.0574 49.2906 GPRESSAVG: 191200 -0.949078 -34.5775 36.9911 -31.7426 -21.747 -28.8954 36.6429 -31.2084 48.8546 TIMING: 191200 CPU: 555.873, 0.00290508/step Wall: 555.873, 0.00290508/step, 3.88054 hours remaining, 201.664062 MB of memory in use. ENERGY: 191200 805.9567 2078.6567 2010.0831 129.6198 -206303.8258 17822.9215 0.0000 0.0000 34272.6024 -149183.9857 299.3112 -183456.5881 -149087.2219 299.2371 -54.3722 -26.1864 558131.7587 8.7641 8.7195 PRESSURE: 191400 -126.554 -129.844 80.9897 -129.843 -132.655 -115.093 80.9897 -115.092 -190.921 GPRESSURE: 191400 -30.7676 -119.952 60.0813 -145.197 -184.83 -167.163 70.3547 -22.0775 -129.235 PRESSAVG: 191400 -54.4076 7.32453 25.0577 7.32464 -15.4933 -30.9614 25.0578 -30.9614 92.9964 GPRESSAVG: 191400 -54.5436 8.50889 25.5892 5.67606 -17.2007 -29.1083 25.0708 -30.6357 94.2612 TIMING: 191400 CPU: 556.452, 0.00289453/step Wall: 556.452, 0.00289453/step, 3.86629 hours remaining, 201.664062 MB of memory in use. ENERGY: 191400 752.6300 2095.3859 1965.9206 123.3903 -206325.2924 17741.8921 0.0000 0.0000 34507.4686 -149138.6050 301.3623 -183646.0735 -149045.2752 299.4943 -150.0432 -114.9443 557198.4642 7.6985 7.5056 PRESSURE: 191600 204.19 -75.2654 114.786 -75.2651 219.074 61.9842 114.785 61.9829 -346.781 GPRESSURE: 191600 173.99 -101.038 199.09 -56.4658 258.574 -23.7045 175.852 155.537 -263.64 PRESSAVG: 191600 19.4616 -26.6951 -1.74032 -26.6951 -14.0164 23.9123 -1.7404 23.9123 39.459 GPRESSAVG: 191600 19.7978 -25.3059 -1.7985 -27.7029 -14.0009 24.2132 -2.84434 21.7899 38.8021 TIMING: 191600 CPU: 557.031, 0.0028963/step Wall: 557.031, 0.0028963/step, 3.86849 hours remaining, 201.664062 MB of memory in use. ENERGY: 191600 745.7412 2072.9553 1965.7766 102.8767 -205876.0952 17686.9285 0.0000 0.0000 34202.0154 -149099.8014 298.6947 -183301.8169 -148997.0963 299.8546 25.4941 56.3081 556446.3016 14.9681 14.8663 PRESSURE: 191800 70.6012 30.3997 8.65402 30.3994 111.158 -18.8728 8.65414 -18.8707 254.918 GPRESSURE: 191800 108.46 -11.804 -30.0175 38.4273 151.749 85.6345 -65.7339 -42.6152 273.258 PRESSAVG: 191800 31.2281 -36.4003 5.93979 -36.4004 -68.9097 -4.08717 5.93987 -4.087 35.3229 GPRESSAVG: 191800 30.5023 -37.4004 6.51984 -36.1753 -69.404 -4.05482 5.70415 -2.30443 36.7781 TIMING: 191800 CPU: 557.613, 0.00290544/step Wall: 557.613, 0.00290544/step, 3.88054 hours remaining, 201.664062 MB of memory in use. ENERGY: 191800 762.7122 2148.0383 1997.6540 111.1752 -206391.2792 18033.8320 0.0000 0.0000 34261.8139 -149076.0536 299.2169 -183337.8675 -148979.4649 299.3334 145.5590 177.8225 556060.8886 -0.7862 -0.7078 PRESSURE: 192000 -45.9644 -73.5532 183.43 -73.5544 94.3242 93.2816 183.429 93.2822 -278.821 GPRESSURE: 192000 -52.028 63.9524 165.778 -105.611 165.835 16.8963 185.863 48.5577 -247.723 PRESSAVG: 192000 30.3982 42.7482 43.4562 42.7482 -13.6586 -43.0677 43.4563 -43.0677 -49.5648 GPRESSAVG: 192000 30.6026 42.6238 42.5703 44.3968 -12.8156 -44.1164 43.1712 -43.7942 -50.5237 TIMING: 192000 CPU: 558.189, 0.00288333/step Wall: 558.189, 0.00288333/step, 3.85084 hours remaining, 201.664062 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: 192000 762.7205 2113.6928 1977.5515 116.6491 -206029.3822 17713.2473 0.0000 0.0000 34264.6657 -149080.8553 299.2418 -183345.5210 -148986.0343 299.7374 -76.8204 -44.6385 558402.3410 -10.9417 -10.9123 PRESSURE: 192200 -235.591 75.8791 127.708 75.8786 -110.931 -32.4307 127.708 -32.4307 -137.707 GPRESSURE: 192200 -166.174 -16.9931 116.558 98.5447 -44.9936 -77.5303 92.1814 -65.495 -173.562 PRESSAVG: 192200 15.808 -10.5179 2.96328 -10.518 -24.4011 -9.15056 2.96331 -9.15055 -38.8949 GPRESSAVG: 192200 15.9075 -11.9721 2.64334 -12.0493 -23.5335 -8.86173 3.81456 -9.40916 -39.4948 TIMING: 192200 CPU: 558.768, 0.0028925/step Wall: 558.768, 0.0028925/step, 3.86294 hours remaining, 201.664062 MB of memory in use. ENERGY: 192200 731.9484 2095.8513 2004.9540 115.7148 -206170.4128 17632.4293 0.0000 0.0000 34490.1919 -149099.3232 301.2114 -183589.5152 -148997.9027 299.1303 -161.4100 -128.2432 557106.2361 -15.8293 -15.7069 LDB: ============= START OF LOAD BALANCING ============== 562.234 LDB: ============== END OF LOAD BALANCING =============== 562.234 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 562.236 LDB: ============= START OF LOAD BALANCING ============== 562.523 LDB: Largest compute 4820 load 0.029733 is 25.3% of average load 0.117428 LDB: Average compute 0.001726 is 1.5% of average load 0.117428 LDB: TIME 562.526 LOAD: AVG 0.117428 MAX 0.177191 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.441 MB LDB: TIME 562.526 LOAD: AVG 0.117428 MAX 0.177191 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.512 MB LDB: TIME 562.526 LOAD: AVG 0.117428 MAX 0.177191 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 562.528 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 562.532 PRESSURE: 192400 -113.19 17.4579 -7.6632 17.457 -1.29161 -11.9408 -7.66395 -11.9405 -84.7371 GPRESSURE: 192400 -58.4155 13.5619 -0.469872 61.0296 -1.48337 -34.2778 62.9626 -27.1322 -32.0606 PRESSAVG: 192400 -1.6396 76.5162 -11.9384 76.5162 27.6392 4.57834 -11.9385 4.57837 5.65435 GPRESSAVG: 192400 -0.950824 78.5052 -11.2742 76.6432 26.2419 5.33249 -11.4974 3.30869 6.38172 TIMING: 192400 CPU: 559.357, 0.00294561/step Wall: 559.357, 0.00294561/step, 3.9337 hours remaining, 202.917969 MB of memory in use. ENERGY: 192400 781.2372 2063.8162 1982.6671 104.6822 -206144.8736 17855.0217 0.0000 0.0000 34293.1995 -149064.2498 299.4910 -183357.4493 -148960.3267 300.0138 -66.4064 -30.6531 558397.8475 10.5513 10.5576 PRESSURE: 192600 -38.0922 23.1994 -273.575 23.1997 34.3527 128.711 -273.575 128.711 -162.698 GPRESSURE: 192600 12.4255 -45.8368 -248.87 119.555 86.124 158.03 -181.874 77.9372 -163.996 PRESSAVG: 192600 71.0992 26.6923 -11.3156 26.6925 -48.4998 3.51879 -11.3156 3.51881 -24.6199 GPRESSAVG: 192600 70.1052 25.5336 -11.0883 25.684 -46.6977 5.34831 -11.9285 5.19959 -25.1457 TIMING: 192600 CPU: 559.933, 0.00288081/step Wall: 559.933, 0.00288081/step, 3.847 hours remaining, 203.121094 MB of memory in use. ENERGY: 192600 722.6674 2100.1734 1989.6567 125.9586 -205900.6255 17646.1534 0.0000 0.0000 34278.5188 -149037.4972 299.3628 -183316.0160 -148937.7613 299.3870 -55.4791 -21.8156 558239.3080 -0.6735 -0.5794 PRESSURE: 192800 -19.2571 -65.0024 36.6736 -65.0033 -9.29359 -23.7625 36.6729 -23.7638 -77.4176 GPRESSURE: 192800 -6.21551 -152.981 54.0085 -110.33 26.1059 -34.8522 35.4859 97.2569 -29.6372 PRESSAVG: 192800 8.19249 47.4483 2.57202 47.4482 -67.1469 -37.3937 2.57198 -37.3936 51.2649 GPRESSAVG: 192800 9.37756 49.0925 3.34466 50.383 -67.5481 -39.9112 2.80298 -37.578 50.3712 TIMING: 192800 CPU: 560.512, 0.00289497/step Wall: 560.512, 0.00289497/step, 3.86574 hours remaining, 203.121094 MB of memory in use. ENERGY: 192800 747.7281 2096.5072 1990.4821 120.9557 -206167.0051 17749.6513 0.0000 0.0000 34470.8235 -148990.8571 301.0423 -183461.6806 -148894.2950 300.6794 -35.3227 -3.2489 557016.9230 -2.5631 -2.5998 PRESSURE: 193000 188.34 24.4214 -108.466 24.4208 14.2631 -80.0308 -108.467 -80.0298 77.2086 GPRESSURE: 193000 176.181 30.8921 -27.5127 23.6663 51.3789 -147.708 -164.867 -24.8723 150.764 PRESSAVG: 193000 -34.9197 -0.0340377 19.0959 -0.0341565 -10.134 -19.1607 19.0959 -19.1607 47.5324 GPRESSAVG: 193000 -35.2786 -2.03891 17.8556 -1.40813 -11.0338 -20.1758 19.3621 -17.2385 48.9036 TIMING: 193000 CPU: 561.092, 0.00289955/step Wall: 561.092, 0.00289955/step, 3.8717 hours remaining, 203.121094 MB of memory in use. ENERGY: 193000 764.2026 2058.6943 2001.5252 127.7072 -205903.3765 17677.0714 0.0000 0.0000 34366.2971 -148907.8787 300.1294 -183274.1758 -148805.5903 300.1656 93.2704 126.1081 556203.3348 0.8263 0.8637 PRESSURE: 193200 -100.321 -18.3285 -91.8555 -18.3301 137.054 101.754 -91.8555 101.756 -6.80616 GPRESSURE: 193200 -17.4582 -67.3117 -140.829 19.8187 132.735 76.7089 13.8143 101.584 9.86058 PRESSAVG: 193200 10.1904 39.2124 12.3086 39.2124 18.9934 13.2569 12.3085 13.2569 -19.9622 GPRESSAVG: 193200 10.6661 40.6022 13.2269 41.5848 18.4209 13.9212 11.1555 11.1771 -19.6091 TIMING: 193200 CPU: 561.671, 0.00289595/step Wall: 561.671, 0.00289595/step, 3.86674 hours remaining, 203.121094 MB of memory in use. ENERGY: 193200 730.2035 2116.0563 1986.6807 127.1459 -206170.3337 17811.9966 0.0000 0.0000 34333.7278 -149064.5229 299.8450 -183398.2507 -148967.8352 299.6872 9.9755 41.7125 557680.1644 3.0739 3.1593 PRESSURE: 193400 -127.068 -126.658 -15.7962 -126.657 120.131 58.046 -15.7954 58.046 122.479 GPRESSURE: 193400 -28.8557 -98.6755 -11.3034 -139.625 138.283 61.8144 -55.1692 113.906 100.985 PRESSAVG: 193400 -6.45042 33.1064 22.8166 33.1064 6.28109 -28.9315 22.8166 -28.9317 -14.4514 GPRESSAVG: 193400 -5.17624 34.446 22.1213 32.5454 6.29298 -28.9601 23.7996 -28.1806 -15.6522 TIMING: 193400 CPU: 562.25, 0.00289527/step Wall: 562.25, 0.00289527/step, 3.86567 hours remaining, 203.121094 MB of memory in use. ENERGY: 193400 755.9225 2118.0326 1961.4896 111.0681 -206376.9360 17994.2142 0.0000 0.0000 34478.3083 -148957.9006 301.1076 -183436.2089 -148863.6925 300.5786 38.5142 70.1373 558000.0902 -4.8736 -4.8452 PRESSURE: 193600 177.014 118.027 -132.202 118.026 -151.265 31.1961 -132.202 31.1978 47.984 GPRESSURE: 193600 172.013 24.1734 -70.8472 123.68 -112.918 124.977 -87.4435 -8.46838 105.725 PRESSAVG: 193600 24.8253 -15.0801 -32.0275 -15.0801 22.5238 21.8611 -32.0275 21.8611 -36.7217 GPRESSAVG: 193600 24.2548 -17.0293 -32.6248 -15.909 23.1444 22.1935 -32.5225 21.5909 -36.3133 TIMING: 193600 CPU: 562.829, 0.00289581/step Wall: 562.829, 0.00289581/step, 3.86623 hours remaining, 203.121094 MB of memory in use. ENERGY: 193600 742.4257 2026.9899 1978.9991 97.3066 -205923.6217 17793.4078 0.0000 0.0000 34342.1129 -148942.3797 299.9182 -183284.4926 -148845.9413 300.3216 24.5779 54.9401 557138.6256 3.5425 3.6953 PRESSURE: 193800 -26.5986 127.403 1.63826 127.402 -11.5657 -52.0868 1.63896 -52.0873 147.556 GPRESSURE: 193800 -12.3542 72.9771 -5.99583 146.658 68.0956 -150.864 13.5751 -12.8666 138.814 PRESSAVG: 193800 19.6268 2.44399 15.1444 2.44404 -40.3117 -16.2801 15.1446 -16.2803 47.1703 GPRESSAVG: 193800 19.0379 2.47585 14.3562 0.884501 -39.1659 -18.1011 14.865 -15.0901 46.8898 TIMING: 193800 CPU: 563.406, 0.00288434/step Wall: 563.406, 0.00288434/step, 3.85076 hours remaining, 203.121094 MB of memory in use. ENERGY: 193800 758.7481 2057.5772 1996.0552 118.3318 -206075.2751 17958.3755 0.0000 0.0000 34212.2227 -148973.9646 298.7839 -183186.1873 -148881.2399 299.3891 36.4639 64.8517 558022.9546 8.8284 8.9206 PRESSURE: 194000 -92.0938 -4.96884 -112.672 -4.96927 -303.963 247.349 -112.671 247.349 -10.5513 GPRESSURE: 194000 -65.0793 41.259 -37.6826 6.7566 -262.236 222.689 -89.0162 296.747 14.7193 PRESSAVG: 194000 36.0006 -17.3249 11.9409 -17.325 -16.4937 -14.44 11.9408 -14.44 14.4314 GPRESSAVG: 194000 36.3964 -18.3141 10.7124 -16.0101 -16.967 -13.2987 13.0954 -14.7018 14.1521 TIMING: 194000 CPU: 563.98, 0.00286723/step Wall: 563.98, 0.00286723/step, 3.82776 hours remaining, 203.121094 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: 194000 789.9037 2067.3674 1978.0572 118.1366 -205996.2705 17809.5103 0.0000 0.0000 34237.5534 -148995.7419 299.0051 -183233.2953 -148893.7789 299.9374 -135.5359 -104.1987 559426.9868 11.3128 11.1938 PRESSURE: 194200 -176.68 -60.6873 5.40405 -60.6869 -0.409323 114.929 5.40352 114.929 44.0314 GPRESSURE: 194200 -120.336 45.3817 -110.911 -144.541 24.8085 59.4374 51.1345 170.202 69.6998 PRESSAVG: 194200 -5.62002 -66.428 -22.1977 -66.428 6.26204 10.341 -22.1976 10.3409 17.1478 GPRESSAVG: 194200 -6.41124 -66.3881 -20.7846 -63.9999 7.3355 11.4608 -22.2978 9.31109 17.7979 TIMING: 194200 CPU: 564.557, 0.00288844/step Wall: 564.557, 0.00288844/step, 3.85591 hours remaining, 203.121094 MB of memory in use. ENERGY: 194200 769.8287 2071.0512 1980.6033 120.4954 -206033.9771 17794.3175 0.0000 0.0000 34329.0655 -148968.6154 299.8043 -183297.6809 -148868.5005 299.6783 -44.3528 -8.6092 559050.6306 5.9299 6.2407 PRESSURE: 194400 -168.58 -89.4527 -62.4663 -89.4526 6.40032 109.435 -62.4656 109.434 -46.7943 GPRESSURE: 194400 -179.13 -44.5895 -61.7053 -161.196 31.1254 121.926 -13.1396 118.564 29.5575 PRESSAVG: 194400 -27.2898 -8.05291 15.8546 -8.05286 10.9071 14.896 15.8545 14.896 61.3846 GPRESSAVG: 194400 -27.6249 -8.17359 14.6946 -10.9996 10.514 13.2538 16.9486 16.9712 62.3195 TIMING: 194400 CPU: 565.132, 0.00287175/step Wall: 565.132, 0.00287175/step, 3.83346 hours remaining, 203.324219 MB of memory in use. ENERGY: 194400 738.7587 2115.0697 1975.6958 126.8394 -205829.2238 17704.6160 0.0000 0.0000 34179.2604 -148988.9837 298.4960 -183168.2441 -148899.3717 299.3059 -69.6579 -39.4825 558581.9255 15.0006 15.0695 PRESSURE: 194600 147.126 116.366 -43.5158 116.367 -42.4952 -159.36 -43.5162 -159.361 -347.332 GPRESSURE: 194600 134.186 42.1087 -76.0126 142.385 44.0739 -147.589 22.5947 -209.782 -336.746 PRESSAVG: 194600 -69.2579 -26.9676 63.1388 -26.9676 18.6363 -9.38345 63.1387 -9.38335 5.37598 GPRESSAVG: 194600 -69.0673 -24.7743 62.3861 -26.2397 18.7971 -9.56897 63.4793 -8.99837 4.69701 TIMING: 194600 CPU: 565.71, 0.00288925/step Wall: 565.71, 0.00288925/step, 3.85667 hours remaining, 203.324219 MB of memory in use. ENERGY: 194600 741.5523 2158.8514 1990.4333 118.8860 -206053.0048 17730.6292 0.0000 0.0000 34288.5902 -149024.0625 299.4508 -183312.6526 -148925.1140 299.2583 -80.9003 -52.8287 558111.6958 -15.0819 -15.1911 PRESSURE: 194800 -108.132 -117.913 -54.1662 -117.912 -136.954 -40.7357 -54.1659 -40.7392 -13.3569 GPRESSURE: 194800 -50.7765 -106.748 -154.94 -129.535 -116.505 -41.7143 -30.6429 -52.2528 2.01036 PRESSAVG: 194800 43.1049 -18.7556 1.28674 -18.7555 -41.503 -1.24606 1.28673 -1.24616 -18.3102 GPRESSAVG: 194800 43.648 -19.0676 3.07802 -17.8361 -42.2692 -0.652169 -1.0589 -1.11694 -17.9893 TIMING: 194800 CPU: 566.287, 0.0028891/step Wall: 566.287, 0.0028891/step, 3.85631 hours remaining, 203.324219 MB of memory in use. ENERGY: 194800 732.1083 2139.5937 1975.2216 102.4150 -205789.1351 17635.3787 0.0000 0.0000 34202.7223 -149001.6956 298.7009 -183204.4179 -148902.0480 299.7552 -86.1474 -55.0905 558688.6979 -5.5695 -5.5368 PRESSURE: 195000 -166.496 -4.77867 116.53 -4.77915 -178.601 -125.292 116.529 -125.291 -329.8 GPRESSURE: 195000 -134.028 104.412 128.45 -80.501 -125.145 -105.528 134.934 -150.009 -324.519 PRESSAVG: 195000 58.5508 0.357087 -2.2327 0.3571 -86.7863 -13.717 -2.23268 -13.7169 -29.0926 GPRESSAVG: 195000 57.9106 0.908428 -2.71034 -1.94589 -86.5088 -12.9871 0.989493 -16.951 -28.8054 TIMING: 195000 CPU: 566.864, 0.00288547/step Wall: 566.864, 0.00288547/step, 3.8513 hours remaining, 203.324219 MB of memory in use. ENERGY: 195000 748.0081 2100.7368 1971.1585 108.3070 -205939.2748 17560.5727 0.0000 0.0000 34298.0136 -149152.4782 299.5331 -183450.4918 -149054.1992 299.0257 -224.9656 -194.5640 559536.2810 -19.1094 -19.1346 PRESSURE: 195200 21.8597 109.956 -129.998 109.956 -331.334 65.6597 -129.998 65.6603 -4.38502 GPRESSURE: 195200 4.66731 94.463 -83.333 53.4425 -276.451 115.284 -141.369 16.3322 49.1762 PRESSAVG: 195200 72.4191 -42.8803 -15.4724 -42.8804 -89.2862 -21.7659 -15.4724 -21.7659 5.51094 GPRESSAVG: 195200 71.4 -43.799 -12.771 -42.391 -88.0268 -21.0351 -18.1887 -20.238 5.44729 TIMING: 195200 CPU: 567.443, 0.00289116/step Wall: 567.443, 0.00289116/step, 3.85873 hours remaining, 203.324219 MB of memory in use. ENERGY: 195200 775.2067 2104.4958 1972.6851 128.6578 -205953.8268 17561.8090 0.0000 0.0000 34264.0412 -149146.9312 299.2364 -183410.9724 -149045.4903 299.7138 -104.6198 -74.2026 557734.4292 -3.7854 -3.7265 PRESSURE: 195400 -60.7822 -98.1069 78.403 -98.1073 -127.44 100.489 78.4035 100.488 -19.2838 GPRESSURE: 195400 -19.823 -133.088 32.8145 -165.767 -133.387 60.162 40.6821 109.028 47.4594 PRESSAVG: 195400 19.9396 10.1957 -9.72915 10.1957 -11.806 -38.1697 -9.72923 -38.1697 6.0266 GPRESSAVG: 195400 22.1715 8.57274 -10.2655 10.5158 -13.9555 -37.793 -9.27081 -38.9469 6.28117 TIMING: 195400 CPU: 568.019, 0.00287921/step Wall: 568.019, 0.00287921/step, 3.84263 hours remaining, 203.324219 MB of memory in use. ENERGY: 195400 746.9154 2119.8653 1957.4331 112.5058 -206406.5197 17933.4714 0.0000 0.0000 34197.0457 -149339.2831 298.6513 -183536.3288 -149239.9472 299.1109 -69.1688 -35.2501 558446.8882 4.7200 4.8324 PRESSURE: 195600 6.54256 -122.017 58.3663 -122.016 -123.615 27.8758 58.3656 27.8748 -106.324 GPRESSURE: 195600 18.031 -116.852 41.1371 -108.009 -86.2223 6.92647 63.035 87.2608 -50.7614 PRESSAVG: 195600 -24.1728 3.27962 -40.2371 3.27962 18.3749 -21.1547 -40.237 -21.1547 49.8943 GPRESSAVG: 195600 -25.2732 3.70561 -41.2895 3.78871 19.5685 -22.0633 -39.4907 -20.3084 49.3447 TIMING: 195600 CPU: 568.59, 0.00285624/step Wall: 568.59, 0.00285624/step, 3.81181 hours remaining, 203.324219 MB of memory in use. ENERGY: 195600 779.6816 2060.2493 1964.1325 114.6088 -206971.8710 18268.6811 0.0000 0.0000 34220.3958 -149564.1219 298.8552 -183784.5177 -149464.9485 298.5073 -74.4653 -39.6509 558481.4133 14.6988 14.5467 PRESSURE: 195800 264.375 161.036 89.2458 161.037 25.9827 143.68 89.2452 143.682 25.1895 GPRESSURE: 195800 214.881 108.177 31.2947 202.61 87.3255 171.25 88.3038 109.639 107.31 PRESSAVG: 195800 39.4072 38.383 -33.6561 38.3829 -49.3627 -34.1749 -33.6562 -34.1748 -50.7539 GPRESSAVG: 195800 39.5155 40.7697 -33.7757 37.0889 -49.5394 -33.3955 -35.3168 -32.6739 -51.0116 TIMING: 195800 CPU: 569.163, 0.00286608/step Wall: 569.163, 0.00286608/step, 3.82478 hours remaining, 203.324219 MB of memory in use. ENERGY: 195800 732.3194 2094.7024 1952.0759 116.9262 -206682.1390 18137.3768 0.0000 0.0000 34117.9521 -149530.7862 297.9606 -183648.7383 -149440.9185 297.5039 105.1822 136.5053 559179.1738 -20.2365 -20.3452 PRESSURE: 196000 159.11 101.555 23.645 101.557 130.62 -9.45294 23.6446 -9.45275 -30.4608 GPRESSURE: 196000 197.297 18.3199 107.606 185.798 196.366 -23.8115 32.4173 17.6904 -41.3153 PRESSAVG: 196000 -12.6962 7.8744 -9.21006 7.87434 28.6802 -5.69573 -9.21 -5.69589 -21.6203 GPRESSAVG: 196000 -13.2018 6.91904 -8.44415 7.85363 29.8921 -6.52071 -7.56103 -8.1242 -22.9498 TIMING: 196000 CPU: 569.738, 0.00287537/step Wall: 569.738, 0.00287537/step, 3.83702 hours remaining, 203.324219 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: 196000 761.9776 2079.8784 2000.4386 116.2246 -206556.6199 17987.6350 0.0000 0.0000 34193.8714 -149416.5943 298.6236 -183610.4656 -149324.8386 298.4120 86.4228 117.4492 556636.0220 -1.8788 -2.0865 PRESSURE: 196200 -282.397 66.7451 -34.4739 66.7449 88.6752 22.8324 -34.4732 22.8336 -56.8658 GPRESSURE: 196200 -200.237 10.0132 -76.0651 179.176 148.778 25.117 -18.8987 -13.6133 -102.058 PRESSAVG: 196200 -27.7052 -5.35385 -32.545 -5.35399 37.3378 -60.8539 -32.545 -60.854 8.82528 GPRESSAVG: 196200 -28.0121 -6.67998 -30.9541 -2.59943 35.8722 -58.6004 -34.959 -61.6451 11.2138 TIMING: 196200 CPU: 570.315, 0.00288612/step Wall: 570.315, 0.00288612/step, 3.8512 hours remaining, 203.324219 MB of memory in use. ENERGY: 196200 722.1044 2102.9874 1980.6968 108.1225 -206105.6470 17821.4379 0.0000 0.0000 34205.8700 -149164.4280 298.7284 -183370.2980 -149068.9676 298.6854 -83.5290 -51.1726 557131.9877 6.1526 6.3580 LDB: ============= START OF LOAD BALANCING ============== 573.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 573.78 LDB: =============== DONE WITH MIGRATION ================ 573.782 LDB: ============= START OF LOAD BALANCING ============== 574.069 LDB: Largest compute 4820 load 0.028731 is 24.5% of average load 0.117348 LDB: Average compute 0.001724 is 1.5% of average load 0.117348 LDB: TIME 574.071 LOAD: AVG 0.117348 MAX 0.178413 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.66 MB LDB: TIME 574.072 LOAD: AVG 0.117348 MAX 0.178413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.66 MB LDB: TIME 574.072 LOAD: AVG 0.117348 MAX 0.178413 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.66 MB LDB: ============== END OF LOAD BALANCING =============== 574.074 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 574.078 PRESSURE: 196400 -167.364 -126.626 -145.455 -126.627 -38.6729 13.2901 -145.455 13.2882 -191.146 GPRESSURE: 196400 -101.219 -133.649 -125.311 -139.49 5.59564 22.263 -164.99 -92.7096 -201.023 PRESSAVG: 196400 -2.43312 -0.315603 -13.2359 -0.315611 -0.93593 -62.6817 -13.236 -62.6817 12.0308 GPRESSAVG: 196400 -2.34866 1.56334 -13.8506 -0.665753 -0.889401 -64.1895 -11.509 -62.0058 11.752 TIMING: 196400 CPU: 570.903, 0.00293636/step Wall: 570.903, 0.00293636/step, 3.91808 hours remaining, 202.863281 MB of memory in use. ENERGY: 196400 708.0434 2101.7531 1949.9818 114.2366 -205960.5656 17675.8117 0.0000 0.0000 34297.0659 -149113.6730 299.5248 -183410.7389 -149014.3237 299.4355 -132.3942 -98.8823 557957.1473 2.8873 2.8380 PRESSURE: 196600 -266.156 -30.1277 -80.0349 -30.1272 23.2103 10.6058 -80.035 10.6049 -81.3866 GPRESSURE: 196600 -204.26 -37.1135 -77.3988 -91.1205 -2.87568 21.7212 -81.8871 -74.896 -17.9106 PRESSAVG: 196600 -97.0161 77.0269 -6.60736 77.027 121.959 -5.12912 -6.60737 -5.12925 -3.63003 GPRESSAVG: 196600 -96.913 77.9374 -8.16846 74.7963 121.466 -6.75801 -6.86746 -3.40697 -3.44983 TIMING: 196600 CPU: 571.482, 0.00289846/step Wall: 571.482, 0.00289846/step, 3.86735 hours remaining, 203.394531 MB of memory in use. ENERGY: 196600 737.0424 2064.8502 1989.6060 119.7474 -206227.3854 17745.7127 0.0000 0.0000 34455.7361 -149114.6906 300.9105 -183570.4267 -149015.8264 298.5987 -108.1108 -75.0153 558114.0521 7.1042 7.0343 PRESSURE: 196800 -42.8306 -2.01043 81.0078 -2.01004 76.3604 -21.5844 81.0066 -21.5844 114.136 GPRESSURE: 196800 -25.3912 -22.1249 97.4953 46.5237 122.026 -39.2158 46.7657 -20.0118 152.402 PRESSAVG: 196800 -43.0255 -8.06098 13.6941 -8.06094 25.9866 -42.093 13.6942 -42.093 20.1637 GPRESSAVG: 196800 -43.0106 -8.86763 14.8869 -9.3581 26.1854 -40.1651 13.8871 -42.599 20.7049 TIMING: 196800 CPU: 572.058, 0.00288083/step Wall: 572.058, 0.00288083/step, 3.84367 hours remaining, 203.394531 MB of memory in use. ENERGY: 196800 703.8243 2085.8984 2010.5815 108.9767 -206221.3560 17788.1459 0.0000 0.0000 34345.3908 -149178.5383 299.9468 -183523.9291 -149085.8481 299.2952 49.2221 83.0124 556752.2735 1.0416 1.2932 PRESSURE: 197000 -34.7823 21.466 -84.3754 21.4668 -178.307 -40.2329 -84.374 -40.2316 -135.13 GPRESSURE: 197000 -32.3853 49.5012 -65.2451 108.655 -82.9234 34.667 -117.873 -114.719 -140.474 PRESSAVG: 197000 -77.6398 20.808 12.4324 20.808 23.2008 14.3013 12.4325 14.3012 67.5143 GPRESSAVG: 197000 -78.2185 19.4418 12.5218 23.5059 24.0313 13.812 12.6308 13.89 67.2109 TIMING: 197000 CPU: 572.634, 0.00287688/step Wall: 572.634, 0.00287688/step, 3.83824 hours remaining, 203.406250 MB of memory in use. ENERGY: 197000 756.5327 2083.8623 1968.1386 123.6571 -205942.3473 17499.0312 0.0000 0.0000 34515.8094 -148995.3160 301.4351 -183511.1254 -148903.9608 299.6559 -116.0729 -85.2608 557882.0293 4.3584 4.3412 PRESSURE: 197200 -19.0012 -205.464 -33.535 -205.464 -29.2303 -33.9709 -33.5351 -33.9699 -124.754 GPRESSURE: 197200 26.6384 -203.072 82.3125 -265.061 -46.7386 -83.9873 -115.289 -76.3837 -65.5473 PRESSAVG: 197200 2.85755 10.6158 36.2348 10.6158 23.5757 -39.0165 36.2348 -39.0166 26.5184 GPRESSAVG: 197200 4.56963 11.5876 33.6978 8.82686 21.7417 -39.4847 37.5472 -40.0415 26.7991 TIMING: 197200 CPU: 573.208, 0.00287112/step Wall: 573.208, 0.00287112/step, 3.83039 hours remaining, 203.406250 MB of memory in use. ENERGY: 197200 782.6746 2064.8848 1940.4484 105.4015 -206187.7685 17785.9913 0.0000 0.0000 34493.4425 -149014.9253 301.2398 -183508.3679 -148916.1472 299.4240 -57.6617 -28.5492 556642.3820 17.6505 17.7035 PRESSURE: 197400 -85.3214 112.659 81.9881 112.661 -164.102 87.8718 81.9876 87.8721 -277.539 GPRESSURE: 197400 -65.3101 102.092 125.017 197.439 -139.08 91.5825 23.9381 107.51 -228.078 PRESSAVG: 197400 -21.9377 34.9817 10.3715 34.9817 73.2827 -45.3432 10.3715 -45.3432 -45.1642 GPRESSAVG: 197400 -23.5402 34.42 11.5966 36.9686 74.3928 -43.7172 11.2484 -45.384 -45.1798 TIMING: 197400 CPU: 573.789, 0.0029073/step Wall: 573.789, 0.0029073/step, 3.8785 hours remaining, 203.406250 MB of memory in use. ENERGY: 197400 769.5107 2056.0354 1965.1732 122.5986 -205901.3735 17561.7019 0.0000 0.0000 34347.6275 -149078.7261 299.9664 -183426.3536 -148992.7646 299.4913 -175.6542 -144.1560 557082.1676 2.0603 1.8909 PRESSURE: 197600 71.1218 -228.282 -26.5109 -228.282 23.1139 -26.5192 -26.5102 -26.519 -192.953 GPRESSURE: 197600 87.9564 -238.998 27.4302 -173.463 8.00059 -102.215 -90.688 15.427 -105.25 PRESSAVG: 197600 -45.6618 13.228 -13.3257 13.2281 5.88686 20.3349 -13.3256 20.335 36.2668 GPRESSAVG: 197600 -45.3764 13.9942 -12.9902 11.0975 5.5333 18.6914 -15.1354 22.1268 36.4382 TIMING: 197600 CPU: 574.371, 0.0029081/step Wall: 574.371, 0.0029081/step, 3.8794 hours remaining, 203.406250 MB of memory in use. ENERGY: 197600 759.5745 2136.2621 1959.9769 109.8179 -206022.5729 17720.2100 0.0000 0.0000 34286.6896 -149050.0419 299.4342 -183336.7315 -148948.8363 299.8396 -32.9057 -3.0978 556997.5336 -1.1694 -1.1350 PRESSURE: 197800 92.8525 -156.144 41.518 -156.144 115.471 109.601 41.5185 109.602 156.799 GPRESSURE: 197800 104.388 -257.295 63.5489 -204.943 180.273 98.644 -72.4753 151.397 165.732 PRESSAVG: 197800 30.8212 -61.9375 20.73 -61.9375 -42.8196 -2.2904 20.73 -2.2903 22.4554 GPRESSAVG: 197800 31.4344 -63.4343 20.6357 -59.4922 -42.3775 -2.38783 19.0227 -5.21046 21.5958 TIMING: 197800 CPU: 574.952, 0.00290659/step Wall: 574.952, 0.00290659/step, 3.87722 hours remaining, 203.406250 MB of memory in use. ENERGY: 197800 719.8360 2084.6460 1972.7205 123.4021 -206100.4818 17895.0680 0.0000 0.0000 34251.9722 -149052.8369 299.1310 -183304.8091 -148957.8917 299.6281 121.7078 150.1308 555915.0020 3.4857 3.5509 PRESSURE: 198000 88.9718 176.813 42.042 176.813 -126.739 -76.9767 42.0418 -76.9758 107.42 GPRESSURE: 198000 104.958 114.096 -41.097 176.014 -99.3988 -92.6645 71.5433 -83.2856 154.848 PRESSAVG: 198000 -37.9375 -21.753 81.1362 -21.753 53.5325 23.9671 81.1361 23.9671 -11.834 GPRESSAVG: 198000 -37.2574 -19.2586 81.3842 -24.5263 53.6898 24.6078 82.4422 23.5047 -12.5853 TIMING: 198000 CPU: 575.526, 0.00286984/step Wall: 575.526, 0.00286984/step, 3.82804 hours remaining, 203.406250 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: 198000 804.0648 2108.2190 1976.0320 118.8800 -206140.7717 17921.4368 0.0000 0.0000 33976.1597 -149235.9794 296.7223 -183212.1391 -149140.6065 299.9821 23.2175 53.4691 556618.3880 1.2537 1.2824 PRESSURE: 198200 -25.6249 -67.6078 30.5304 -67.6084 45.5804 -108.473 30.5289 -108.473 8.96638 GPRESSURE: 198200 -23.0816 23.0059 13.0597 -154.924 138.853 -11.5067 17.3303 -172.683 4.02883 PRESSAVG: 198200 -76.1444 -17.1772 13.3898 -17.1773 49.9639 24.223 13.3898 24.2229 35.2807 GPRESSAVG: 198200 -76.3922 -17.1752 13.9721 -16.8157 50.2219 23.3796 13.0021 25.4894 35.4004 TIMING: 198200 CPU: 576.108, 0.00290937/step Wall: 576.108, 0.00290937/step, 3.88062 hours remaining, 203.406250 MB of memory in use. ENERGY: 198200 747.2685 2118.5442 1972.9107 112.6648 -206338.3230 17908.3689 0.0000 0.0000 34120.2793 -149358.2867 297.9809 -183478.5660 -149258.9280 298.6946 9.6406 39.9333 557686.8500 3.0334 3.0767 PRESSURE: 198400 -9.39568 205.21 -16.0069 205.21 33.5926 161.156 -16.0075 161.156 -23.8867 GPRESSURE: 198400 65.1981 224.856 -40.2769 175.57 50.805 148.925 -11.705 99.2983 -8.61821 PRESSAVG: 198400 58.904 -9.54171 15.1897 -9.5416 -2.0034 31.6676 15.1898 31.6676 -23.3026 GPRESSAVG: 198400 58.6769 -9.73075 13.1031 -10.4061 -2.64431 31.8105 16.0645 31.7892 -22.0683 TIMING: 198400 CPU: 576.688, 0.00290033/step Wall: 576.688, 0.00290033/step, 3.8684 hours remaining, 203.406250 MB of memory in use. ENERGY: 198400 781.0038 2067.8955 1972.9739 111.5304 -206096.8145 17709.8933 0.0000 0.0000 34171.1782 -149282.3395 298.4254 -183453.5176 -149190.7086 298.2900 0.1034 35.7950 555352.7371 11.1993 11.3214 PRESSURE: 198600 144.287 68.1754 -128.216 68.1749 -219.983 -18.0997 -128.217 -18.0991 -113.252 GPRESSURE: 198600 126.345 102.233 -214.845 82.1371 -134.896 -30.3951 -144.544 17.9806 -80.8462 PRESSAVG: 198600 29.7128 -7.25392 11.6942 -7.25397 -26.6049 -6.77285 11.6943 -6.7727 17.5489 GPRESSAVG: 198600 29.8938 -7.6377 13.3154 -8.09502 -25.2593 -7.08471 13.5275 -6.24654 15.7787 TIMING: 198600 CPU: 577.266, 0.00288905/step Wall: 577.266, 0.00288905/step, 3.85319 hours remaining, 203.406250 MB of memory in use. ENERGY: 198600 739.9187 2129.7174 1999.3333 102.4624 -206286.7491 17838.0819 0.0000 0.0000 34281.7882 -149195.4471 299.3914 -183477.2353 -149097.3473 299.1928 -62.9825 -29.7990 556965.5853 6.8856 6.8044 PRESSURE: 198800 86.4657 29.6784 -12.735 29.6792 85.7517 -103.021 -12.7351 -103.022 85.5782 GPRESSURE: 198800 144.364 45.5823 -20.9272 -55.6526 146.439 -164.876 128.583 -42.4428 54.5863 PRESSAVG: 198800 58.2933 -8.92966 -34.1677 -8.92974 -52.3609 -48.7488 -34.1677 -48.7488 -14.4398 GPRESSAVG: 198800 59.0891 -9.75995 -34.0981 -6.52294 -54.1809 -50.0815 -35.5442 -48.0944 -13.5544 TIMING: 198800 CPU: 577.845, 0.0028963/step Wall: 577.845, 0.0028963/step, 3.8627 hours remaining, 203.406250 MB of memory in use. ENERGY: 198800 752.7790 2168.7769 2001.3633 118.0403 -206289.5646 17967.5134 0.0000 0.0000 34120.7605 -149160.3314 297.9851 -183281.0918 -149067.4377 299.2451 85.9319 115.1299 557808.9214 -2.8358 -2.8821 PRESSURE: 199000 -253.777 -11.584 67.116 -11.5835 -147.197 207.096 67.1146 207.097 -128.267 GPRESSURE: 199000 -269.895 -12.3939 115.157 -7.93682 -119.251 87.0149 64.4844 220.55 -28.3747 PRESSAVG: 199000 -10.728 -0.330014 -23.6994 -0.330002 -4.35313 -8.20525 -23.6994 -8.20522 -5.90306 GPRESSAVG: 199000 -10.135 0.585782 -23.2441 -1.37453 -4.71597 -7.84328 -23.5066 -7.99882 -6.39828 TIMING: 199000 CPU: 578.431, 0.00293029/step Wall: 578.431, 0.00293029/step, 3.90787 hours remaining, 203.406250 MB of memory in use. ENERGY: 199000 784.1479 2097.8593 2001.2943 110.4805 -206083.9021 17795.4175 0.0000 0.0000 34111.5501 -149183.1524 297.9047 -183294.7026 -149085.3505 298.5679 -176.4137 -139.1733 557940.4193 -6.9947 -7.0831 PRESSURE: 199200 -80.7328 -30.6508 -18.7523 -30.6511 -242.938 178.638 -18.7522 178.637 -228.911 GPRESSURE: 199200 -27.7727 -16.1512 69.88 20.039 -194.009 239.884 15.0731 191.617 -232.783 PRESSAVG: 199200 -12.7597 -27.6773 -31.983 -27.6773 -29.5171 71.044 -31.9831 71.044 36.4461 GPRESSAVG: 199200 -14.0669 -28.0515 -31.904 -26.5611 -28.6006 73.1669 -32.8937 69.544 37.2722 TIMING: 199200 CPU: 579.01, 0.00289348/step Wall: 579.01, 0.00289348/step, 3.85861 hours remaining, 203.406250 MB of memory in use. ENERGY: 199200 737.9518 2129.0571 1982.2768 96.8318 -205408.7187 17328.8506 0.0000 0.0000 34003.7183 -149130.0324 296.9629 -183133.7506 -149025.2428 298.5005 -184.1940 -151.5215 559359.9610 -1.9436 -1.7984 PRESSURE: 199400 236.049 -82.5114 -48.6924 -82.512 -162.952 12.5542 -48.6921 12.5544 -251.484 GPRESSURE: 199400 279.756 -111.613 49.5719 -66.5221 -102.297 50.3903 -46.8407 -43.8687 -259.951 PRESSAVG: 199400 -17.6375 24.5383 -20.3328 24.5383 29.3256 18.4138 -20.3329 18.4137 17.0038 GPRESSAVG: 199400 -18.0014 24.1758 -20.0125 24.3304 28.9723 16.56 -19.3574 17.5626 17.3884 TIMING: 199400 CPU: 579.591, 0.0029047/step Wall: 579.591, 0.0029047/step, 3.87342 hours remaining, 203.406250 MB of memory in use. ENERGY: 199400 724.8124 2122.7585 1978.6778 130.5582 -206255.1839 17809.3827 0.0000 0.0000 34144.0373 -149344.9570 298.1884 -183488.9944 -149243.2924 298.9013 -59.4624 -27.4977 558153.6141 9.5640 9.4531 PRESSURE: 199600 -167.141 -68.4772 -48.4788 -68.4783 -30.9438 11.3021 -48.4795 11.302 189.664 GPRESSURE: 199600 -77.8431 -84.8705 -43.1696 -50.7406 -26.8329 66.8384 -96.2172 -51.0081 184 PRESSAVG: 199600 -38.1435 -27.8128 -16.5704 -27.8128 -15.2403 -13.9611 -16.5705 -13.9611 93.2659 GPRESSAVG: 199600 -37.2843 -28.8699 -17.0375 -26.887 -15.2879 -11.7846 -16.0071 -14.3748 92.9064 TIMING: 199600 CPU: 580.173, 0.0029121/step Wall: 580.173, 0.0029121/step, 3.88312 hours remaining, 203.406250 MB of memory in use. ENERGY: 199600 716.6864 2092.2490 1971.2983 111.8228 -206383.9112 17823.5258 0.0000 0.0000 34190.6099 -149477.7189 298.5951 -183668.3288 -149384.1362 298.2001 -2.8070 26.4413 558245.6680 13.2940 13.4448 PRESSURE: 199800 -195.673 24.3615 -25.0029 24.3617 98.0221 23.8817 -25.0029 23.8816 -214.92 GPRESSURE: 199800 -202.131 49.7401 -19.3584 -53.0215 158.833 -29.1528 -106.15 -31.4572 -164.84 PRESSAVG: 199800 -96.3197 -21.7406 -29.2486 -21.7405 -35.6903 -29.9976 -29.2486 -29.9976 102.203 GPRESSAVG: 199800 -96.5985 -20.9287 -29.1598 -20.1634 -34.7424 -31.1584 -30.9557 -28.0473 102.373 TIMING: 199800 CPU: 580.753, 0.00289576/step Wall: 580.753, 0.00289576/step, 3.86117 hours remaining, 203.406250 MB of memory in use. ENERGY: 199800 724.3443 2063.4775 2000.6161 114.4182 -205997.5547 17599.3346 0.0000 0.0000 34133.1998 -149362.1643 298.0937 -183495.3641 -149261.7371 298.5075 -104.1904 -69.3795 557857.5056 -9.9356 -9.6559 PRESSURE: 200000 -16.7739 -197.742 -12.1682 -197.742 164.304 -22.6688 -12.1677 -22.6695 -137.845 GPRESSURE: 200000 -65.2159 -207.045 73.3149 -214.399 249.408 37.7889 -37.4846 -25.2886 -72.5582 PRESSAVG: 200000 10.508 8.37194 -0.666835 8.37195 2.57361 -6.70806 -0.666783 -6.708 10.5397 GPRESSAVG: 200000 11.6616 8.29128 -1.28757 6.02365 0.886337 -7.76778 -1.0582 -6.50325 11.6566 TIMING: 200000 CPU: 581.329, 0.00288147/step Wall: 581.329, 0.00288146/step, 3.84195 hours remaining, 203.406250 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: 200000 709.4393 2162.2209 1953.2187 114.0936 -206337.6288 17721.7366 0.0000 0.0000 34265.8430 -149411.0766 299.2521 -183676.9196 -149317.1654 298.6046 3.2282 37.2114 555642.4263 7.8738 8.0682 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.010 seconds, 203.406 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.004 seconds, 203.535 MB of memory in use PRESSURE: 200200 -236.663 142.293 88.1674 142.293 -169.337 -104.91 88.1667 -104.908 -163.466 GPRESSURE: 200200 -162.465 119.652 148.69 111.685 -183.086 -118.389 121.12 -116.916 -125.276 PRESSAVG: 200200 -11.7031 16.7826 12.4952 16.7827 10.7172 -17.8616 12.4952 -17.8615 9.7167 GPRESSAVG: 200200 -12.3931 15.0762 12.0633 17.6563 11.7449 -17.893 13.1636 -17.0136 8.83377 TIMING: 200200 CPU: 581.922, 0.00296671/step Wall: 581.922, 0.00296671/step, 3.95544 hours remaining, 203.535156 MB of memory in use. ENERGY: 200200 758.3111 2087.2447 1967.0687 93.6787 -206170.2458 17690.0143 0.0000 0.0000 34300.3238 -149273.6044 299.5533 -183573.9283 -149176.6750 298.8874 -189.8219 -156.9420 557537.2217 2.9103 2.7285 LDB: ============= START OF LOAD BALANCING ============== 585.387 LDB: ============== END OF LOAD BALANCING =============== 585.388 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 585.389 LDB: ============= START OF LOAD BALANCING ============== 585.679 LDB: Largest compute 4820 load 0.028595 is 24.4% of average load 0.117301 LDB: Average compute 0.001726 is 1.5% of average load 0.117301 LDB: TIME 585.681 LOAD: AVG 0.117301 MAX 0.176916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 200.625 MB LDB: TIME 585.681 LOAD: AVG 0.117301 MAX 0.176916 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.668 MB LDB: TIME 585.682 LOAD: AVG 0.117301 MAX 0.176916 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 200.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 585.683 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 585.688 PRESSURE: 200400 115.726 -33.6163 -36.1013 -33.6176 340.542 4.44202 -36.1009 4.44199 -21.0955 GPRESSURE: 200400 150.734 17.82 -3.84335 -13.9235 391.002 9.11606 -99.9369 -8.39748 -7.47998 PRESSAVG: 200400 20.413 59.7661 -37.291 59.7661 47.288 -41.0786 -37.291 -41.0786 -42.9827 GPRESSAVG: 200400 20.8956 59.9853 -35.665 59.1413 47.4194 -41.9327 -37.9014 -40.5778 -44.0216 TIMING: 200400 CPU: 582.512, 0.00294962/step Wall: 582.512, 0.00294962/step, 3.9325 hours remaining, 202.417969 MB of memory in use. ENERGY: 200400 721.4725 2087.7641 1963.0358 117.4726 -206075.2029 17893.4836 0.0000 0.0000 34161.0603 -149130.9140 298.3370 -183291.9743 -149038.2614 299.0890 145.0575 178.0854 555829.2033 8.2394 8.0978 PRESSURE: 200600 -228.689 -13.3781 -140.335 -13.3774 -111.023 -9.9575 -140.336 -9.95829 -48.0656 GPRESSURE: 200600 -226.069 -95.7299 -117.087 24.8376 -39.9152 5.79909 -166.232 21.0956 -22.6768 PRESSAVG: 200600 -5.44829 47.164 -35.5539 47.164 -10.0219 13.7443 -35.5539 13.7444 21.733 GPRESSAVG: 200600 -6.13268 47.0668 -38.5974 47.2987 -9.39023 13.6409 -35.7558 12.8967 21.7623 TIMING: 200600 CPU: 583.088, 0.0028808/step Wall: 583.088, 0.0028808/step, 3.84059 hours remaining, 202.621094 MB of memory in use. ENERGY: 200600 770.7156 2040.3404 1989.2529 115.3631 -206118.3778 17718.6593 0.0000 0.0000 34154.4521 -149329.5942 298.2793 -183484.0464 -149233.5681 298.5576 -129.2592 -96.2203 556872.4710 2.0876 2.0798 PRESSURE: 200800 -161.317 -23.0568 19.7117 -23.0568 -38.1547 119.395 19.7104 119.395 -213.042 GPRESSURE: 200800 -141.58 -96.0701 60.1844 -8.95881 3.96054 14.4039 -3.76959 182.883 -180.895 PRESSAVG: 200800 -25.7871 -6.44611 -90.4783 -6.44606 45.583 12.409 -90.4784 12.409 -17.5003 GPRESSAVG: 200800 -25.7846 -5.64094 -89.0394 -5.87832 45.4807 15.598 -90.7997 11.9079 -17.6333 TIMING: 200800 CPU: 583.667, 0.00289292/step Wall: 583.667, 0.00289292/step, 3.85658 hours remaining, 202.621094 MB of memory in use. ENERGY: 200800 753.1993 2030.0010 1987.9499 107.1806 -205864.6532 17680.5951 0.0000 0.0000 34089.0070 -149216.7203 297.7078 -183305.7273 -149126.6755 297.8625 -137.5047 -106.1714 558524.9088 0.7652 0.6876 PRESSURE: 201000 -19.4149 -11.9843 -7.70944 -11.9855 -256.934 -179.874 -7.70777 -179.875 -310.433 GPRESSURE: 201000 15.3071 -33.4971 -21.0128 39.8721 -265.886 -133.388 11.6807 -151.7 -240.854 PRESSAVG: 201000 -7.12959 -38.8735 -52.1041 -38.8735 -26.0673 -11.8994 -52.1041 -11.8994 20.9585 GPRESSAVG: 201000 -6.06476 -38.9049 -51.8677 -38.7965 -27.443 -14.1554 -50.2064 -11.8491 21.3112 TIMING: 201000 CPU: 584.246, 0.00289484/step Wall: 584.246, 0.00289484/step, 3.85899 hours remaining, 202.621094 MB of memory in use. ENERGY: 201000 766.7053 2167.9017 1974.7761 113.3541 -205878.6378 17692.1986 0.0000 0.0000 34091.1299 -149072.5720 297.7263 -183163.7019 -148979.9106 299.3916 -195.5939 -163.8108 558762.9301 -4.0795 -4.0655 PRESSURE: 201200 -33.4172 121.617 47.5216 121.617 285.008 120.046 47.5218 120.046 29.3652 GPRESSURE: 201200 14.5707 77.5717 91.4554 152.989 332.664 138.573 -8.04279 130.695 34.4989 PRESSAVG: 201200 -7.27335 30.5031 -18.5777 30.5031 -37.6594 -25.7546 -18.5778 -25.7544 13.7207 GPRESSAVG: 201200 -7.75235 31.4492 -16.5815 29.1569 -36.5859 -24.1822 -19.6974 -26.0278 13.4602 TIMING: 201200 CPU: 584.823, 0.00288351/step Wall: 584.823, 0.00288351/step, 3.84372 hours remaining, 202.621094 MB of memory in use. ENERGY: 201200 710.1712 2146.6488 1977.6148 116.7543 -206264.4678 17947.9835 0.0000 0.0000 34232.5357 -149132.7595 298.9612 -183365.2952 -149038.9486 299.0153 93.6519 127.2447 557970.7925 -10.4040 -10.2927 PRESSURE: 201400 -124.954 84.859 -5.18132 84.8592 35.4767 63.9596 -5.18144 63.9592 118.478 GPRESSURE: 201400 -124.373 47.7157 52.8881 101.986 36.689 110.131 -20.5642 68.7957 205.609 PRESSAVG: 201400 -14.4608 25.9236 24.8431 25.9235 -33.69 18.9867 24.8431 18.9867 28.6172 GPRESSAVG: 201400 -13.6431 25.5232 22.1359 26.0136 -34.8743 18.8459 25.0377 19.3377 28.7953 TIMING: 201400 CPU: 585.402, 0.00289563/step Wall: 585.402, 0.00289563/step, 3.85972 hours remaining, 202.621094 MB of memory in use. ENERGY: 201400 737.7533 2068.6490 1988.5053 116.0813 -205975.7540 17758.4359 0.0000 0.0000 34275.7898 -149030.5395 299.3390 -183306.3293 -148939.2124 299.0250 9.6668 39.3086 557937.2956 -6.5112 -6.5740 PRESSURE: 201600 -281.846 12.0987 -225.188 12.1007 -184.936 3.08651 -225.188 3.08787 -94.5051 GPRESSURE: 201600 -226.571 56.7603 -151.948 -18.0646 -172.556 82.0434 -211.579 -2.03827 -66.231 PRESSAVG: 201600 101.046 25.1145 -6.76031 25.1144 -33.7245 31.2782 -6.76035 31.2781 0.511757 GPRESSAVG: 201600 99.6182 26.8519 -5.20475 23.8949 -32.219 29.8618 -9.83404 32.5945 0.175863 TIMING: 201600 CPU: 585.982, 0.00289893/step Wall: 585.982, 0.00289893/step, 3.86395 hours remaining, 202.621094 MB of memory in use. ENERGY: 201600 730.3765 2067.2720 1999.8957 105.1019 -205859.7820 17484.2880 0.0000 0.0000 34280.2953 -149192.5526 299.3783 -183472.8479 -149096.5770 299.2693 -187.0954 -155.1194 558344.2709 22.6110 22.5250 PRESSURE: 201800 308.177 -242.833 1.57916 -242.832 -89.1099 -240.542 1.57968 -240.542 -329.57 GPRESSURE: 201800 337.307 -239.528 -1.29836 -256.133 -69.7082 -223.841 -35.5845 -164.594 -281.685 PRESSAVG: 201800 52.3839 -11.3633 -19.9683 -11.3632 -20.1081 45.0766 -19.9683 45.0766 -51.3685 GPRESSAVG: 201800 53.6922 -14.0062 -19.6687 -10.158 -20.9 43.5145 -19.0727 45.6307 -51.9166 TIMING: 201800 CPU: 586.562, 0.00290468/step Wall: 586.562, 0.00290468/step, 3.87146 hours remaining, 202.621094 MB of memory in use. ENERGY: 201800 762.3187 2036.3451 1969.6994 111.6147 -205949.1614 17745.7619 0.0000 0.0000 34041.1608 -149282.2607 297.2899 -183323.4215 -149180.3206 299.1972 -36.8344 -4.6955 557919.5135 -6.3642 -6.3748 PRESSURE: 202000 -44.6018 20.1506 -3.65074 20.1491 39.0832 -143.295 -3.65077 -143.292 -91.4526 GPRESSURE: 202000 -26.1327 -28.2489 40.7547 44.0011 14.847 -194.541 18.9388 -13.0278 -5.59631 PRESSAVG: 202000 78.6595 -83.8286 -18.9812 -83.8285 27.5097 11.2876 -18.9812 11.2876 -72.3741 GPRESSAVG: 202000 78.601 -83.4429 -20.0467 -82.8369 27.5722 13.1691 -17.0803 9.6937 -72.0384 TIMING: 202000 CPU: 587.146, 0.00291569/step Wall: 587.146, 0.00291569/step, 3.88597 hours remaining, 202.621094 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: 202000 725.6046 2085.1279 1997.9822 113.9747 -205795.8958 17551.1295 0.0000 0.0000 34090.9579 -149231.1190 297.7248 -183322.0770 -149131.9179 299.5464 -32.3238 -5.6274 556422.4966 11.2650 11.3782 PRESSURE: 202200 -256.478 97.8646 -81.0572 97.8638 24.013 83.2327 -81.0558 83.2327 -156.03 GPRESSURE: 202200 -205.724 131.93 17.6596 66.4991 28.1969 71.4838 -149.538 29.6493 -95.0883 PRESSAVG: 202200 0.477939 43.0593 -38.0085 43.0592 16.1081 35.4558 -38.0084 35.4557 6.73888 GPRESSAVG: 202200 0.229973 43.018 -37.335 42.6781 15.8532 34.7061 -38.203 35.9579 6.96809 TIMING: 202200 CPU: 587.726, 0.0029006/step Wall: 587.726, 0.0029006/step, 3.8657 hours remaining, 202.621094 MB of memory in use. ENERGY: 202200 719.0409 2083.2176 1995.2624 107.7695 -205759.3843 17496.6841 0.0000 0.0000 34113.2161 -149244.1935 297.9192 -183357.4097 -149152.5879 298.1505 -129.4983 -90.8717 557872.9724 7.7750 7.6837 PRESSURE: 202400 -99.5627 -133.741 -4.98597 -133.742 -129.633 -74.2053 -4.98675 -74.2057 -148.307 GPRESSURE: 202400 -111.002 -148.407 14.1586 -107.974 -63.6769 -141.699 29.7288 53.3233 -108.082 PRESSAVG: 202400 11.2364 57.6676 -16.473 57.6677 -4.36909 4.62754 -16.473 4.62755 -16.6675 GPRESSAVG: 202400 10.6876 57.8239 -16.2774 57.7298 -3.88162 4.23947 -16.6493 4.22394 -17.3815 TIMING: 202400 CPU: 588.303, 0.00288427/step Wall: 588.303, 0.00288427/step, 3.84377 hours remaining, 202.621094 MB of memory in use. ENERGY: 202400 745.0920 2103.8341 1959.3130 112.7636 -205569.8838 17427.9759 0.0000 0.0000 34191.5861 -149029.3191 298.6036 -183220.9052 -148933.7094 298.6977 -125.8340 -94.2534 557601.2998 -3.2667 -3.5252 PRESSURE: 202600 3.64081 53.5458 88.9611 53.5464 -11.1603 -2.07897 88.9606 -2.07941 190.44 GPRESSURE: 202600 24.5457 119.628 0.555837 125.933 9.76295 72.6209 91.2522 28.8426 237.594 PRESSAVG: 202600 -6.14347 -35.6944 20.7661 -35.6943 25.5141 -48.1777 20.7661 -48.1778 44.9058 GPRESSAVG: 202600 -5.99328 -35.171 18.5704 -35.0989 25.4743 -49.7039 23.5108 -47.0447 45.4004 TIMING: 202600 CPU: 588.88, 0.00288546/step Wall: 588.88, 0.00288546/step, 3.8452 hours remaining, 202.621094 MB of memory in use. ENERGY: 202600 733.8762 2076.9319 1968.3689 106.9496 -206255.1549 18007.4245 0.0000 0.0000 34480.6018 -148881.0020 301.1277 -183361.6038 -148779.3564 299.6351 60.9736 90.6343 557428.5735 21.4255 21.6271 PRESSURE: 202800 55.2382 -47.8914 -189.48 -47.8924 158.236 84.5434 -189.48 84.5423 102.823 GPRESSURE: 202800 97.5894 -94.8521 -244.002 -12.0992 221.653 63.8349 -130.646 57.4798 107.271 PRESSAVG: 202800 35.0093 9.40987 -48.3449 9.40979 -28.139 -11.6626 -48.3449 -11.6626 -34.0323 GPRESSAVG: 202800 34.2073 7.42023 -45.2363 10.4751 -28.397 -11.4407 -50.9818 -10.6305 -33.1009 TIMING: 202800 CPU: 589.459, 0.00289773/step Wall: 589.459, 0.00289773/step, 3.86138 hours remaining, 202.621094 MB of memory in use. ENERGY: 202800 754.8720 2043.9953 1969.8795 93.4501 -205742.3877 17774.5056 0.0000 0.0000 34177.8208 -148927.8645 298.4834 -183105.6853 -148831.7144 300.0143 105.4322 142.1710 557440.4036 -9.0540 -9.0969 PRESSURE: 203000 177.01 -14.2436 -121.764 -14.2435 126.241 72.6427 -121.763 72.6431 51.5777 GPRESSURE: 203000 193.76 57.6477 -125.224 -52.824 178.609 134.833 -116.615 62.4799 87.3467 PRESSAVG: 203000 -15.8521 -6.62533 -15.036 -6.62533 34.1148 13.1412 -15.036 13.1413 -16.7582 GPRESSAVG: 203000 -16.449 -6.07486 -16.4801 -6.77438 34.9879 14.4264 -14.8623 11.9402 -17.2183 TIMING: 203000 CPU: 590.042, 0.00291385/step Wall: 590.042, 0.00291385/step, 3.8827 hours remaining, 202.621094 MB of memory in use. ENERGY: 203000 752.1570 2116.5461 1967.3833 119.8310 -205965.6176 17906.0645 0.0000 0.0000 34254.0252 -148849.6104 299.1489 -183103.6357 -148754.6532 298.5828 118.2763 153.2385 556491.8515 0.5015 0.4402 PRESSURE: 203200 163.626 106.703 -21.4794 106.703 360.533 -206.976 -21.4809 -206.974 188.78 GPRESSURE: 203200 153.222 126.4 -40.3225 162.517 384.433 -142.257 69.8109 -169.407 270.081 PRESSAVG: 203200 64.5503 -8.35176 -31.2944 -8.35182 25.8873 2.2453 -31.2945 2.24532 -77.2262 GPRESSAVG: 203200 66.2363 -9.43105 -30.1972 -8.13033 26.628 0.499823 -32.9938 2.73387 -79.6528 TIMING: 203200 CPU: 590.624, 0.00290853/step Wall: 590.624, 0.00290853/step, 3.87546 hours remaining, 202.621094 MB of memory in use. ENERGY: 203200 730.5421 2115.5034 1949.7344 119.3816 -206719.7084 18252.4254 0.0000 0.0000 34471.8829 -149080.2386 301.0515 -183552.1215 -148982.5275 299.8402 237.6463 269.2453 557285.0099 4.4038 4.4039 PRESSURE: 203400 177.184 26.9067 -15.3666 26.9066 -61.9719 -58.8157 -15.3652 -58.8174 -113.537 GPRESSURE: 203400 198.231 68.273 69.8048 13.5256 21.6276 -6.52519 31.0742 -90.2954 -119.089 PRESSAVG: 203400 68.5243 -13.1326 -7.06753 -13.1326 23.3037 -1.29688 -7.06751 -1.29691 -93.0115 GPRESSAVG: 203400 67.9339 -11.8942 -7.99789 -14.3537 21.7073 0.294484 -5.45701 -3.03402 -90.8983 TIMING: 203400 CPU: 591.208, 0.00292285/step Wall: 591.208, 0.00292285/step, 3.89437 hours remaining, 202.621094 MB of memory in use. ENERGY: 203400 776.4524 2098.2073 1991.0924 110.3695 -206080.0070 17872.9666 0.0000 0.0000 34062.6165 -149168.3023 297.4773 -183230.9188 -149076.4976 299.6454 0.5584 33.5898 557334.7267 -0.3945 -0.4190 PRESSURE: 203600 155.489 131.806 -30.3517 131.806 201.381 94.1995 -30.3501 94.2 52.2677 GPRESSURE: 203600 245.546 80.3915 -55.3385 205.311 258.245 122.817 -55.8466 50.6527 9.08048 PRESSAVG: 203600 37.9597 -19.9204 -35.0254 -19.9203 48.3954 -6.99562 -35.0254 -6.99565 -36.6861 GPRESSAVG: 203600 37.8627 -17.4823 -36.1758 -20.5096 48.9495 -7.74669 -34.3109 -7.26405 -36.9351 TIMING: 203600 CPU: 591.789, 0.00290152/step Wall: 591.789, 0.00290152/step, 3.86579 hours remaining, 202.621094 MB of memory in use. ENERGY: 203600 731.3660 2092.8540 1970.8521 99.4968 -206359.6953 18064.7920 0.0000 0.0000 34228.2489 -149172.0854 298.9238 -183400.3343 -149075.5373 299.4911 136.3794 170.9571 557658.0023 16.5563 16.6257 PRESSURE: 203800 -135.672 -19.6766 175.342 -19.6767 -313.985 -141.277 175.341 -141.277 -147.605 GPRESSURE: 203800 -106.716 -101.932 60.817 -43.415 -247.691 -180.947 185.559 -93.8975 -157.785 PRESSAVG: 203800 -0.631651 10.9596 15.2751 10.9596 -62.5482 -70.2791 15.2752 -70.2792 55.2331 GPRESSAVG: 203800 -0.170223 9.04623 14.9425 11.5243 -63.437 -69.63 16.598 -68.5071 55.7642 TIMING: 203800 CPU: 592.372, 0.00291785/step Wall: 592.372, 0.00291785/step, 3.88739 hours remaining, 202.621094 MB of memory in use. ENERGY: 203800 752.0315 2094.9451 1983.3350 114.3563 -205927.5508 17517.6538 0.0000 0.0000 34173.3116 -149291.9175 298.4440 -183465.2291 -149191.1691 299.3613 -199.0870 -170.7306 558384.5881 -2.6489 -2.6144 PRESSURE: 204000 -127.602 -132.199 -13.8611 -132.199 -102.814 -16.748 -13.8606 -16.7475 -150.655 GPRESSURE: 204000 -67.4055 -82.698 37.6737 -162.819 -94.9542 -81.7009 -48.166 -53.6402 -109.121 PRESSAVG: 204000 -23.8032 -29.973 24.7969 -29.9729 -39.0211 -39.002 24.7969 -39.002 74.9262 GPRESSAVG: 204000 -24.1749 -29.3103 26.0886 -29.6244 -37.533 -37.9249 24.9159 -40.2255 74.3963 TIMING: 204000 CPU: 592.95, 0.00289139/step Wall: 592.95, 0.00289139/step, 3.85197 hours remaining, 202.621094 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: 204000 773.9975 2095.1613 1977.7476 107.9624 -206106.0207 17651.3208 0.0000 0.0000 34172.8801 -149326.9511 298.4403 -183499.8312 -149230.4084 298.5815 -127.0238 -90.4937 555856.6694 4.0339 4.2295 PRESSURE: 204200 -31.2418 54.4273 127.3 54.4281 124.434 -204.646 127.301 -204.646 -213.342 GPRESSURE: 204200 -19.1567 84.2832 58.2666 -11.1706 147.979 -205.501 115.54 -164.071 -148.442 PRESSAVG: 204200 -8.4286 5.55029 61.8461 5.5503 5.55723 -17.1211 61.8461 -17.1211 35.438 GPRESSAVG: 204200 -9.01432 3.22134 61.114 7.73554 5.95274 -19.144 60.3363 -15.5483 35.4635 TIMING: 204200 CPU: 593.532, 0.0029079/step Wall: 593.532, 0.0029079/step, 3.8738 hours remaining, 202.621094 MB of memory in use. ENERGY: 204200 719.0306 2060.9139 1986.5857 108.5666 -206145.0141 17719.6147 0.0000 0.0000 34145.9230 -149404.3795 298.2048 -183550.3024 -149310.3606 298.3266 -40.0499 -6.5401 556578.1838 10.8555 10.8006 LDB: ============= START OF LOAD BALANCING ============== 597 LDB: ============== END OF LOAD BALANCING =============== 597 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 597.001 LDB: ============= START OF LOAD BALANCING ============== 597.295 LDB: Largest compute 4820 load 0.028226 is 24.1% of average load 0.117327 LDB: Average compute 0.001732 is 1.5% of average load 0.117327 LDB: TIME 597.297 LOAD: AVG 0.117327 MAX 0.1795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.191 MB LDB: TIME 597.297 LOAD: AVG 0.117327 MAX 0.1795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.43 MB LDB: TIME 597.297 LOAD: AVG 0.117327 MAX 0.1795 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.43 MB LDB: ============== END OF LOAD BALANCING =============== 597.299 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 597.303 PRESSURE: 204400 302.189 -3.59505 -9.34553 -3.59445 61.2264 55.0241 -9.34553 55.0249 188.233 GPRESSURE: 204400 264.596 28.3105 -28.6955 12.1304 100.605 32.8003 14.1489 105.456 280.068 PRESSAVG: 204400 -9.3525 15.7604 21.503 15.7604 -13.5082 -16.2185 21.503 -16.2184 34.4997 GPRESSAVG: 204400 -8.88604 16.5386 21.6381 14.2781 -14.9726 -15.6719 20.5123 -18.2152 35.4866 TIMING: 204400 CPU: 594.128, 0.00297914/step Wall: 594.128, 0.00297914/step, 3.96854 hours remaining, 202.988281 MB of memory in use. ENERGY: 204400 704.4725 2121.2035 1966.3926 124.4006 -206953.9983 18170.5903 0.0000 0.0000 34268.9351 -149598.0038 299.2791 -183866.9388 -149501.8996 298.4405 183.8828 215.0894 555761.2716 3.8797 3.8760 PRESSURE: 204600 -49.9371 92.3711 -47.8039 92.3709 14.2128 -129.047 -47.8044 -129.047 26.5967 GPRESSURE: 204600 -12.1659 44.7105 -36.5322 117.624 83.2356 -183.481 -6.56916 -125.509 12.0758 PRESSAVG: 204600 21.3215 16.3115 23.194 16.3115 -21.6008 -5.79629 23.1941 -5.79637 59.747 GPRESSAVG: 204600 21.5096 16.5471 22.5096 16.549 -20.0398 -5.70744 24.5863 -3.98128 57.5578 TIMING: 204600 CPU: 594.711, 0.00291751/step Wall: 594.711, 0.00291751/step, 3.88629 hours remaining, 203.449219 MB of memory in use. ENERGY: 204600 720.2358 2031.8443 2005.6436 116.7142 -206193.1418 17758.5531 0.0000 0.0000 34011.7475 -149548.4033 297.0331 -183560.1508 -149453.5574 298.0249 -3.0425 27.7152 555364.2205 19.8226 19.6759 PRESSURE: 204800 -179.755 167.394 -34.6878 167.395 72.8153 -77.5266 -34.6877 -77.5272 -97.9442 GPRESSURE: 204800 -146.727 146.527 -84.6727 187.989 99.0438 -70.6713 -27.4673 -46.7611 -58.5061 PRESSAVG: 204800 -19.3954 -15.7927 18.0121 -15.7927 4.61636 -41.3527 18.0121 -41.3527 22.3643 GPRESSAVG: 204800 -19.8391 -16.4418 18.1099 -16.0198 3.95527 -41.274 18.0019 -41.9215 23.5803 TIMING: 204800 CPU: 595.295, 0.00291837/step Wall: 595.295, 0.00291837/step, 3.88727 hours remaining, 203.449219 MB of memory in use. ENERGY: 204800 697.1693 2052.6356 1959.0742 107.5844 -206297.7748 17578.8810 0.0000 0.0000 34288.6068 -149613.8234 299.4509 -183902.4303 -149518.5494 298.5596 -68.2946 -35.3965 557038.8628 2.5284 2.5655 PRESSURE: 205000 114.956 -12.2733 -43.1469 -12.2749 57.7198 -75.012 -43.1475 -75.0112 189.322 GPRESSURE: 205000 137.589 39.4471 6.58311 79.8919 87.6018 38.6526 24.6697 -128.517 236.625 PRESSAVG: 205000 34.6506 4.92181 5.43028 4.92179 -7.56467 16.5942 5.4303 16.5943 -13.376 GPRESSAVG: 205000 33.8312 5.54578 4.88864 4.14152 -7.039 16.217 5.00592 17.7977 -13.2001 TIMING: 205000 CPU: 595.879, 0.00292242/step Wall: 595.879, 0.00292242/step, 3.89251 hours remaining, 203.449219 MB of memory in use. ENERGY: 205000 714.2764 2076.5018 1987.1440 111.4619 -206634.6906 18042.9074 0.0000 0.0000 34230.6729 -149471.7262 298.9450 -183702.3991 -149372.3879 297.9059 120.6657 153.9386 555347.8583 4.5700 4.5307 PRESSURE: 205200 77.708 82.7296 -96.2639 82.7301 -294.102 -128.927 -96.2634 -128.926 -44.2569 GPRESSURE: 205200 163.065 33.3831 -69.1121 11.4724 -305.276 -45.6392 -91.8446 -193.122 -17.3857 PRESSAVG: 205200 16.2293 37.5471 13.6399 37.5471 -11.1139 -17.2061 13.6399 -17.206 1.20147 GPRESSAVG: 205200 16.512 38.4334 15.6506 38.784 -11.2626 -17.7994 13.6573 -19.9345 1.38528 TIMING: 205200 CPU: 596.461, 0.00290609/step Wall: 596.461, 0.00290609/step, 3.87059 hours remaining, 203.449219 MB of memory in use. ENERGY: 205200 777.1258 2105.4281 1973.1574 112.0385 -205970.9561 17543.7311 0.0000 0.0000 34177.7562 -149281.7189 298.4828 -183459.4751 -149184.7827 298.3786 -86.8835 -53.1989 554567.7994 2.1056 2.2115 PRESSURE: 205400 -265.026 87.7935 -103.6 87.7928 -314.818 4.02848 -103.6 4.02613 -138.864 GPRESSURE: 205400 -248.731 90.5866 -122.362 86.8748 -234.33 -14.7501 -54.1775 47.3869 -149.38 PRESSAVG: 205400 4.04523 10.9913 -28.3803 10.9914 2.44462 0.687417 -28.3803 0.687365 -19.4261 GPRESSAVG: 205400 4.91727 10.9534 -29.1029 10.7969 2.65584 -0.598792 -29.061 1.84122 -20.2314 TIMING: 205400 CPU: 597.043, 0.00291296/step Wall: 597.043, 0.00291296/step, 3.87957 hours remaining, 203.449219 MB of memory in use. ENERGY: 205400 724.1737 2110.8088 1979.5413 100.1442 -205390.0119 17248.3847 0.0000 0.0000 33992.4922 -149234.4670 296.8649 -183226.9592 -149138.7257 298.5239 -239.5692 -210.8140 557653.3003 -4.3121 -4.2194 PRESSURE: 205600 -13.0236 -31.6109 60.2619 -31.6115 10.2043 67.9049 60.2607 67.9045 -125.756 GPRESSURE: 205600 68.5801 -14.5624 49.1836 80.2334 43.4381 -4.45119 20.209 101.444 -142.137 PRESSAVG: 205600 -62.5408 41.2793 -24.3648 41.2792 -5.89652 -21.5794 -24.3649 -21.5794 83.204 GPRESSAVG: 205600 -62.957 42.2835 -22.6081 41.5528 -5.37076 -20.0847 -23.1562 -21.0208 82.692 TIMING: 205600 CPU: 597.624, 0.00290284/step Wall: 597.624, 0.00290284/step, 3.86594 hours remaining, 203.710938 MB of memory in use. ENERGY: 205600 763.5999 2104.7041 1980.1269 127.2931 -205992.0910 17758.4661 0.0000 0.0000 34350.8674 -148907.0335 299.9947 -183257.9009 -148817.3664 299.8248 -42.8583 -10.0398 555915.6245 4.9222 4.7881 PRESSURE: 205800 37.4567 89.8996 35.5478 89.899 -196.956 95.6003 35.5473 95.5999 -119.774 GPRESSURE: 205800 7.32201 104.055 32.0333 67.1354 -118.945 117.285 12.5155 73.5876 -44.09 PRESSAVG: 205800 -6.13142 24.3263 -5.43124 24.3264 -66.3788 51.0194 -5.43131 51.0193 64.1185 GPRESSAVG: 205800 -6.47477 25.3125 -8.29197 23.1896 -66.8866 51.896 -3.92994 52.8017 65.0342 TIMING: 205800 CPU: 598.209, 0.00292419/step Wall: 598.209, 0.00292419/step, 3.89421 hours remaining, 203.710938 MB of memory in use. ENERGY: 205800 783.1514 2076.8052 1976.6481 114.3570 -205838.4731 17602.1677 0.0000 0.0000 34447.9881 -148837.3557 300.8428 -183285.3438 -148736.8475 300.7082 -93.0913 -51.9042 556787.6814 -2.7972 -2.7757 PRESSURE: 206000 -280.867 49.4303 67.9777 49.431 -121.829 23.2693 67.9768 23.2691 -53.9738 GPRESSURE: 206000 -239.307 2.88996 38.6671 66.9345 -89.7166 82.6079 102.603 57.5667 -36.3885 PRESSAVG: 206000 35.3302 26.9529 43.4321 26.953 -5.01745 32.5743 43.4321 32.5743 -21.9034 GPRESSAVG: 206000 35.5449 23.7622 44.3974 28.0381 -6.15659 31.5307 41.9183 31.6509 -21.2255 TIMING: 206000 CPU: 598.792, 0.00291474/step Wall: 598.792, 0.00291474/step, 3.88146 hours remaining, 203.710938 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: 206000 806.2221 2132.1289 1961.2989 117.0014 -205833.2928 17573.0595 0.0000 0.0000 34288.6752 -148954.9068 299.4515 -183243.5820 -148851.8146 299.9424 -152.2235 -121.8042 558228.6018 2.8031 2.7209 PRESSURE: 206200 105.7 147.366 -64.8852 147.365 95.0323 -108.64 -64.8864 -108.643 0.612122 GPRESSURE: 206200 172.347 4.00548 -50.8876 117.737 104.778 -167.692 -38.2999 -125.822 42.9158 PRESSAVG: 206200 94.317 35.9301 26.805 35.9301 -32.7661 34.1438 26.805 34.1437 -4.05542 GPRESSAVG: 206200 94.7575 36.0342 26.5849 37.0124 -31.2993 33.9005 27.1314 34.0968 -5.61921 TIMING: 206200 CPU: 599.371, 0.00289872/step Wall: 599.371, 0.00289872/step, 3.85996 hours remaining, 203.710938 MB of memory in use. ENERGY: 206200 750.5460 2123.1758 1962.8228 112.9020 -206309.2163 17823.4082 0.0000 0.0000 34512.7424 -149023.6192 301.4084 -183536.3616 -148927.0984 299.4303 67.1147 106.6804 556746.7322 19.1652 19.2797 PRESSURE: 206400 -44.6101 46.1706 81.9357 46.1705 5.42573 20.6951 81.9363 20.6954 -202.146 GPRESSURE: 206400 27.5963 -13.1965 106.786 -19.12 11.7501 -14.3631 92.0213 22.7792 -177.978 PRESSAVG: 206400 -8.49826 -7.64555 51.776 -7.64554 63.1885 -29.8379 51.7761 -29.838 -4.06992 GPRESSAVG: 206400 -9.21631 -5.81415 53.1151 -7.92765 62.372 -29.4337 53.0815 -29.7618 -3.01511 TIMING: 206400 CPU: 599.952, 0.0029027/step Wall: 599.952, 0.0029027/step, 3.8651 hours remaining, 203.710938 MB of memory in use. ENERGY: 206400 719.8138 2085.8864 1973.1444 108.8603 -205696.8317 17539.5431 0.0000 0.0000 34399.7226 -148869.8611 300.4213 -183269.5837 -148774.6003 299.7180 -80.4433 -46.2107 557844.3973 16.8734 16.7135 PRESSURE: 206600 145.454 -40.0494 -89.366 -40.0488 224.903 2.19755 -89.3657 2.19567 64.0054 GPRESSURE: 206600 134.541 8.33452 -58.2274 -25.838 283.814 70.6904 -163.016 5.1965 123.876 PRESSAVG: 206600 -58.4367 7.4457 -21.9587 7.44579 54.2391 9.97312 -21.9588 9.97311 22.5858 GPRESSAVG: 206600 -57.4558 9.03072 -21.5617 4.7283 54.5498 9.23392 -24.1668 9.7733 21.7308 TIMING: 206600 CPU: 600.532, 0.00289991/step Wall: 600.532, 0.00289991/step, 3.86123 hours remaining, 203.710938 MB of memory in use. ENERGY: 206600 751.7236 2076.6557 1979.9141 106.9002 -206200.5579 18012.2818 0.0000 0.0000 34425.7594 -148847.3233 300.6487 -183273.0826 -148754.9503 300.4527 144.7874 180.7437 557516.5593 6.1294 6.2749 PRESSURE: 206800 -35.277 115.339 -130.167 115.34 -633.754 77.5778 -130.165 77.5779 -135.873 GPRESSURE: 206800 -2.04936 136.995 -34.5075 135.893 -613.538 51.283 -152.802 33.0276 -76.1821 PRESSAVG: 206800 -38.7335 31.0617 -27.365 31.0618 15.1763 37.0844 -27.365 37.0844 17.0911 GPRESSAVG: 206800 -39.4634 28.5193 -28.0707 33.4924 15.8246 38.1097 -27.2972 36.2345 16.8486 TIMING: 206800 CPU: 601.11, 0.0028901/step Wall: 601.11, 0.0028901/step, 3.84801 hours remaining, 203.710938 MB of memory in use. ENERGY: 206800 738.1797 2086.6817 1975.5201 122.2993 -205409.2847 17290.3933 0.0000 0.0000 34214.7003 -148981.5103 298.8055 -183196.2106 -148878.6993 300.4435 -268.3013 -230.5897 557718.4180 -2.1554 -2.2634 PRESSURE: 207000 68.2279 75.7261 -24.9755 75.7255 46.6874 -112.06 -24.9742 -112.06 153.871 GPRESSURE: 207000 93.1417 54.1996 -40.8674 65.1536 66.9739 -146.397 -47.6155 -90.3401 195.246 PRESSAVG: 207000 14.6887 9.61816 -21.8877 9.61816 11.8307 0.901784 -21.8878 0.901646 -7.15155 GPRESSAVG: 207000 14.069 8.69751 -22.5121 9.4407 10.7473 1.09673 -22.8788 2.0311 -5.41594 TIMING: 207000 CPU: 601.684, 0.00287163/step Wall: 601.684, 0.00287163/step, 3.82325 hours remaining, 203.710938 MB of memory in use. ENERGY: 207000 770.0107 2071.5356 2008.9142 113.5793 -206293.6936 17996.1569 0.0000 0.0000 34177.7355 -149155.7614 298.4827 -183333.4969 -149055.0669 299.8772 89.5954 118.4538 557785.7226 6.4559 6.4668 PRESSURE: 207200 154.594 118.859 -28.3303 118.86 -35.3397 120.042 -28.3296 120.041 -57.5239 GPRESSURE: 207200 189.238 120.07 -80.7929 158.697 -83.1071 181.006 28.1278 81.5927 38.863 PRESSAVG: 207200 -20.3952 16.998 -29.6234 16.998 -26.6513 39.2217 -29.6235 39.2218 17.3072 GPRESSAVG: 207200 -18.9362 19.0207 -30.6847 16.845 -26.9228 39.3816 -28.4753 38.5835 16.567 TIMING: 207200 CPU: 602.265, 0.00290338/step Wall: 602.265, 0.00290338/step, 3.86537 hours remaining, 203.710938 MB of memory in use. ENERGY: 207200 738.4311 2092.7498 1987.6311 99.0815 -206226.8953 17864.7024 0.0000 0.0000 34229.2114 -149215.0880 298.9322 -183444.2993 -149125.2580 299.1910 20.5768 48.3315 556346.2869 -9.9131 -9.7640 PRESSURE: 207400 243.939 86.165 153.252 86.1658 -104.916 -2.61363 153.253 -2.61367 -99.7735 GPRESSURE: 207400 271.63 70.9019 117.324 89.7605 -27.3781 9.67331 171.223 67.2296 -104.453 PRESSAVG: 207400 27.7537 0.756194 6.6612 0.75613 0.808293 69.1655 6.66116 69.1655 -1.82948 GPRESSAVG: 207400 27.6699 1.98164 6.82542 2.02537 1.84171 69.0494 5.74998 70.8241 -3.15069 TIMING: 207400 CPU: 602.845, 0.00289922/step Wall: 602.845, 0.00289922/step, 3.85967 hours remaining, 203.710938 MB of memory in use. ENERGY: 207400 758.0005 2078.4424 1973.8750 121.6096 -206486.8897 17920.9096 0.0000 0.0000 34360.5893 -149273.4631 300.0796 -183634.0525 -149169.6177 299.2351 13.0831 46.5997 558193.6873 8.9109 8.7870 PRESSURE: 207600 -394.319 -135.523 -113.609 -135.523 -387.463 30.7975 -113.608 30.7979 -196.546 GPRESSURE: 207600 -379.997 -119.97 -52.527 -164.387 -320.368 -23.8209 -194.563 48.4805 -192.04 PRESSAVG: 207600 89.3158 14.9474 67.6323 14.9473 -44.0924 -15.3139 67.6323 -15.3139 -10.6035 GPRESSAVG: 207600 89.2858 14.1661 67.7585 15.0478 -43.8842 -14.0722 69.7003 -16.4375 -11.0133 TIMING: 207600 CPU: 603.42, 0.00287421/step Wall: 603.42, 0.00287421/step, 3.82621 hours remaining, 203.710938 MB of memory in use. ENERGY: 207600 767.5396 2061.1546 1994.9603 118.5801 -205745.5686 17483.1599 0.0000 0.0000 34144.9259 -149175.2483 298.1961 -183320.1741 -149084.8572 298.5867 -326.1095 -297.4684 560419.6332 11.5400 11.4628 PRESSURE: 207800 250.98 -182.996 29.5151 -182.995 195.392 162.552 29.5158 162.551 136.466 GPRESSURE: 207800 246.331 -177.421 5.22872 -186.635 209.746 98.7283 30.636 160.412 219.271 PRESSAVG: 207800 -56.4136 -94.8394 32.3604 -94.8393 8.43105 41.2631 32.3604 41.2629 40.9736 GPRESSAVG: 207800 -58.2635 -94.5158 32.4684 -96.7383 9.63104 38.597 31.9993 42.9386 41.7127 TIMING: 207800 CPU: 604.001, 0.0029093/step Wall: 604.001, 0.0029093/step, 3.87276 hours remaining, 203.710938 MB of memory in use. ENERGY: 207800 725.1471 2070.3668 1996.4272 130.2036 -206524.5491 18198.8730 0.0000 0.0000 34174.7401 -149228.7914 298.4565 -183403.5315 -149132.7291 298.4419 194.2792 225.1160 557666.6671 -2.3363 -2.3066 PRESSURE: 208000 -183.267 -38.4039 28.7273 -38.4046 164.517 120.384 28.7272 120.384 -230.022 GPRESSURE: 208000 -169.476 -140.16 -17.0264 24.6812 194.933 136.99 6.45278 14.0809 -188.96 PRESSAVG: 208000 -19.7868 -29.0682 -0.779879 -29.0682 -55.5853 61.1152 -0.779943 61.1151 70.9156 GPRESSAVG: 208000 -19.4403 -31.6246 -0.206947 -29.9573 -56.3575 59.5582 -0.422103 58.7595 71.8503 TIMING: 208000 CPU: 604.582, 0.00290129/step Wall: 604.582, 0.00290129/step, 3.86193 hours remaining, 203.710938 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: 208000 741.4697 2107.1090 2013.9036 127.6395 -206199.9018 17642.2123 0.0000 0.0000 34355.2637 -149212.3039 300.0331 -183567.5676 -149116.2324 298.9991 -82.9243 -54.5009 556821.5506 -1.4855 -1.3159 PRESSURE: 208200 -440.715 68.9236 115.474 68.9241 -265.568 -42.6728 115.474 -42.6716 -243.55 GPRESSURE: 208200 -426.082 14.1676 68.9881 60.9105 -220.449 -118.445 127.639 -61.2935 -205.755 PRESSAVG: 208200 -60.3557 -23.4116 -28.6965 -23.4115 80.1562 -14.1136 -28.6964 -14.1136 8.92994 GPRESSAVG: 208200 -59.1756 -23.2266 -28.8188 -22.5564 79.5414 -11.8036 -29.7675 -14.5905 8.56756 TIMING: 208200 CPU: 605.163, 0.00290451/step Wall: 605.163, 0.00290451/step, 3.86606 hours remaining, 203.710938 MB of memory in use. ENERGY: 208200 793.3236 2115.0714 1983.3249 108.5202 -206085.4034 17579.7594 0.0000 0.0000 34192.0523 -149313.3515 298.6077 -183505.4039 -149213.2706 300.1845 -316.6109 -284.0953 559282.8939 9.5768 9.6444 LDB: ============= START OF LOAD BALANCING ============== 608.63 LDB: ============== END OF LOAD BALANCING =============== 608.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 608.632 LDB: ============= START OF LOAD BALANCING ============== 608.925 LDB: Largest compute 4820 load 0.029767 is 25.4% of average load 0.117347 LDB: Average compute 0.001732 is 1.5% of average load 0.117347 LDB: TIME 608.927 LOAD: AVG 0.117347 MAX 0.177914 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.137 MB LDB: TIME 608.928 LOAD: AVG 0.117347 MAX 0.177914 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.137 MB LDB: TIME 608.928 LOAD: AVG 0.117347 MAX 0.177914 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 608.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 608.934 PRESSURE: 208400 -187.5 123.297 -120.505 123.297 -20.1306 188.574 -120.506 188.574 190.062 GPRESSURE: 208400 -156.793 179.521 -138.187 62.4052 14.1263 188.837 -116.593 147.862 213.368 PRESSAVG: 208400 -7.32838 39.4412 25.7363 39.4412 -16.5104 92.8646 25.7363 92.8648 11.8018 GPRESSAVG: 208400 -6.7425 39.9324 24.4987 40.4783 -16.4232 92.6076 27.0611 91.149 11.7683 TIMING: 208400 CPU: 605.758, 0.00297774/step Wall: 605.758, 0.00297774/step, 3.96337 hours remaining, 203.710938 MB of memory in use. ENERGY: 208400 759.0994 2118.9595 1985.1189 111.8259 -206455.3022 17902.8219 0.0000 0.0000 34333.4009 -149244.0757 299.8421 -183577.4766 -149148.3086 299.3304 -5.8560 23.5672 557941.8812 -4.0123 -3.7991 PRESSURE: 208600 68.2736 54.0335 -98.4529 54.0357 81.5397 26.1627 -98.4522 26.1613 133.28 GPRESSURE: 208600 82.4935 81.7047 -109.827 53.6199 129.727 49.5111 -112.181 25.7452 171.495 PRESSAVG: 208600 -13.6481 -14.1633 -16.4902 -14.1632 -8.73675 -5.51564 -16.4902 -5.51576 23.8793 GPRESSAVG: 208600 -14.6411 -13.1975 -16.5177 -14.4648 -8.05096 -5.4932 -17.8735 -4.73921 24.1546 TIMING: 208600 CPU: 606.34, 0.00290797/step Wall: 606.34, 0.00290797/step, 3.87034 hours remaining, 203.781250 MB of memory in use. ENERGY: 208600 755.6894 2070.2928 1991.9053 105.8937 -206327.9516 17850.4809 0.0000 0.0000 34052.2239 -149501.4655 297.3865 -183553.6894 -149401.6999 299.0582 94.3644 127.9050 556257.4433 0.4982 0.4875 PRESSURE: 208800 -13.079 61.844 -9.04427 61.8443 -254.659 -121.164 -9.0425 -121.165 19.5228 GPRESSURE: 208800 27.5213 57.4516 -14.8093 11.2832 -215.753 -46.4123 -5.18282 -118.278 34.2457 PRESSAVG: 208800 -11.2377 41.1305 -35.0885 41.1304 -13.7903 -28.5022 -35.0884 -28.5021 61.3431 GPRESSAVG: 208800 -10.5539 39.8082 -33.8146 40.6435 -14.3349 -27.6795 -35.6284 -29.4254 60.8314 TIMING: 208800 CPU: 606.921, 0.00290552/step Wall: 606.921, 0.00290552/step, 3.86692 hours remaining, 203.781250 MB of memory in use. ENERGY: 208800 737.2793 2135.4598 2010.5447 123.3800 -206225.5326 17636.6266 0.0000 0.0000 34196.8741 -149385.3681 298.6498 -183582.2422 -149286.1801 298.5950 -82.7385 -51.3286 556779.5997 12.1051 11.9809 PRESSURE: 209000 -169.692 -129.317 -60.6474 -129.317 -39.1016 -23.1199 -60.6463 -23.1199 -325.036 GPRESSURE: 209000 -117.889 -93.8251 -66.1156 -191.577 -23.9219 6.18516 19.7107 -10.7596 -295.319 PRESSAVG: 209000 -16.3618 -40.7231 -27.2884 -40.7231 -18.349 -2.82303 -27.2885 -2.82298 1.49644 GPRESSAVG: 209000 -16.1094 -39.0457 -28.2764 -41.0134 -18.1348 -4.54581 -25.7189 0.0549384 1.68512 TIMING: 209000 CPU: 607.503, 0.0029087/step Wall: 607.503, 0.0029087/step, 3.87099 hours remaining, 203.781250 MB of memory in use. ENERGY: 209000 798.0102 2113.4677 1974.1237 126.3051 -206298.1314 17734.4190 0.0000 0.0000 34213.2176 -149338.5881 298.7925 -183551.8057 -149234.0392 297.8854 -177.9430 -145.7099 558161.3057 -11.0714 -10.8530 PRESSURE: 209200 -189.011 -7.39954 -88.9106 -7.39871 -35.0144 4.55223 -88.9107 4.55358 -98.6284 GPRESSURE: 209200 -149.339 19.6945 -108.021 -23.8842 0.651612 -15.7097 -94.5698 41.921 -76.0035 PRESSAVG: 209200 24.6886 -14.5273 -4.26235 -14.5273 -76.5698 33.6578 -4.26238 33.6579 69.2418 GPRESSAVG: 209200 24.0843 -15.5953 -4.17372 -14.0462 -76.1728 35.8001 -5.28344 33.1822 69.8051 TIMING: 209200 CPU: 608.085, 0.00290999/step Wall: 608.085, 0.00290999/step, 3.87255 hours remaining, 203.781250 MB of memory in use. ENERGY: 209200 800.1677 2114.1277 1979.1195 105.0871 -206070.1349 17717.5441 0.0000 0.0000 34007.3569 -149346.7319 296.9947 -183354.0888 -149248.8963 299.5761 -107.5511 -74.8971 558323.0328 5.7869 5.9056 PRESSURE: 209400 -124.599 117.716 -51.9619 117.717 -87.9527 -80.6025 -51.961 -80.6025 -95.525 GPRESSURE: 209400 -177.368 124.432 -8.61519 93.5201 -5.61452 -39.7469 -115.819 -174.473 -26.1818 PRESSAVG: 209400 -43.1583 -27.432 -1.07604 -27.4321 -25.4465 15.5543 -1.07609 15.5543 44.3503 GPRESSAVG: 209400 -44.0073 -25.5339 -0.927106 -29.415 -24.7475 14.1189 -1.7535 16.2769 44.6911 TIMING: 209400 CPU: 608.667, 0.00291235/step Wall: 608.667, 0.00291235/step, 3.87553 hours remaining, 203.781250 MB of memory in use. ENERGY: 209400 770.1318 2121.1761 1981.3941 105.1775 -206264.6359 17704.2587 0.0000 0.0000 34080.5549 -149501.9429 297.6340 -183582.4978 -149406.0230 298.8450 -102.6921 -69.7214 556637.2129 -8.0848 -8.0212 PRESSURE: 209600 -116.911 -34.3481 73.1423 -34.3479 273.891 83.3197 73.1435 83.3195 -45.6304 GPRESSURE: 209600 -77.5866 -13.7084 7.84612 -9.03537 365.29 -14.1923 138.927 77.5897 -68.3539 PRESSAVG: 209600 -13.5135 10.5232 42.4972 10.5232 -35.9944 24.263 42.4973 24.263 66.4514 GPRESSAVG: 209600 -13.0121 7.27691 40.8826 11.3059 -35.0407 25.5108 43.3906 22.9506 65.617 TIMING: 209600 CPU: 609.247, 0.00289923/step Wall: 609.247, 0.00289923/step, 3.85791 hours remaining, 203.781250 MB of memory in use. ENERGY: 209600 751.0065 2064.1277 1957.1831 106.6905 -206003.7419 17734.6585 0.0000 0.0000 34089.3142 -149300.7613 297.7105 -183390.0756 -149203.8527 298.8220 37.1166 73.1165 556779.6572 5.6479 5.8547 PRESSURE: 209800 30.567 40.4747 3.58024 40.476 -255.258 -108.743 3.58133 -108.743 -73.3776 GPRESSURE: 209800 81.7246 116.766 -66.7282 43.5208 -206.575 -1.54539 120.248 -200.29 -73.5955 PRESSAVG: 209800 25.5532 -26.8234 11.0583 -26.8234 -13.8493 0.912156 11.0581 0.912158 30.8448 GPRESSAVG: 209800 26.2285 -25.5407 14.159 -27.4996 -14.2678 1.07856 10.6848 0.0144804 30.9055 TIMING: 209800 CPU: 609.834, 0.0029358/step Wall: 609.834, 0.0029358/step, 3.9064 hours remaining, 203.781250 MB of memory in use. ENERGY: 209800 780.2181 2130.5599 1981.0290 118.9679 -206321.2964 17785.2424 0.0000 0.0000 34349.3144 -149175.9646 299.9811 -183525.2790 -149077.8766 298.6975 -99.3563 -66.1486 556827.6709 14.1829 14.2888 PRESSURE: 210000 -62.8066 -111.623 44.549 -111.623 9.16114 118.353 44.5493 118.352 -45.5298 GPRESSURE: 210000 1.27243 -75.7494 50.3933 -128.196 23.0613 129.668 -48.0989 90.0344 -14.4138 PRESSAVG: 210000 -0.77103 29.7615 44.3808 29.7613 -10.3972 11.6286 44.3809 11.6287 17.5202 GPRESSAVG: 210000 -1.23432 30.1706 42.5663 29.1284 -10.4606 11.7473 43.436 11.8162 17.4849 TIMING: 210000 CPU: 610.412, 0.00289191/step Wall: 610.412, 0.00289191/step, 3.84785 hours remaining, 203.781250 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: 210000 744.1511 2108.6605 1983.3868 112.5209 -206240.6941 17827.1273 0.0000 0.0000 34146.5300 -149318.3175 298.2101 -183464.8475 -149227.2972 299.0941 -33.0584 3.3067 556738.9701 2.1173 1.9300 PRESSURE: 210200 162.031 -249.468 90.6308 -249.468 15.3135 -77.7776 90.6302 -77.7802 113.336 GPRESSURE: 210200 206.197 -277.383 32.9185 -249.51 32.4403 -204.836 72.522 -11.2093 162.439 PRESSAVG: 210200 24.6089 -48.9755 19.8651 -48.9755 3.95418 -14.8712 19.8653 -14.8712 -39.0128 GPRESSAVG: 210200 24.468 -49.7885 20.9304 -46.1955 3.66838 -15.737 19.1392 -14.3431 -38.9168 TIMING: 210200 CPU: 610.991, 0.00289238/step Wall: 610.991, 0.00289238/step, 3.84831 hours remaining, 203.781250 MB of memory in use. ENERGY: 210200 718.0835 2159.3352 1963.7414 107.1538 -206780.5424 18121.0668 0.0000 0.0000 34238.9018 -149472.2599 299.0168 -183711.1617 -149376.4629 298.2686 96.8935 133.6919 556540.3738 -3.4832 -3.5935 PRESSURE: 210400 -123.951 43.8355 15.0411 43.8362 3.51621 43.7631 15.0402 43.7641 -125.277 GPRESSURE: 210400 -60.7439 -27.1525 -27.9238 12.6121 26.1656 -58.6597 -43.7643 37.5033 -110.677 PRESSAVG: 210400 -55.8723 -114.837 -12.5395 -114.837 50.7473 -21.2873 -12.5397 -21.2873 -2.79299 GPRESSAVG: 210400 -55.8122 -114.39 -14.47 -114.314 51.1072 -22.0369 -9.19872 -20.001 -3.20157 TIMING: 210400 CPU: 611.575, 0.00291871/step Wall: 611.575, 0.00291871/step, 3.88318 hours remaining, 203.781250 MB of memory in use. ENERGY: 210400 755.0985 2108.4374 1970.3633 114.3086 -206163.7139 17726.4928 0.0000 0.0000 34013.5632 -149475.4502 297.0489 -183489.0133 -149377.8365 298.5046 -81.9037 -48.4186 558213.4764 -2.6393 -2.6355 PRESSURE: 210600 -37.5048 -171.125 118.097 -171.125 45.4188 -6.37832 118.097 -6.37893 -154.459 GPRESSURE: 210600 -24.6394 -145.816 135.875 -127.721 22.9471 -19.7446 66.4495 2.95143 -58.1712 PRESSAVG: 210600 14.6076 -58.0921 -2.24777 -58.0921 16.1461 -50.4091 -2.24782 -50.409 -13.4544 GPRESSAVG: 210600 16.3209 -58.6287 0.47773 -58.4617 14.7783 -48.9287 -3.47054 -52.0566 -13.2464 TIMING: 210600 CPU: 612.155, 0.00289917/step Wall: 612.155, 0.00289917/step, 3.85703 hours remaining, 203.781250 MB of memory in use. ENERGY: 210600 730.1095 2083.2672 1957.8217 118.1767 -206345.4009 17804.2088 0.0000 0.0000 34280.6909 -149371.1260 299.3818 -183651.8170 -149269.3126 299.0351 -48.8485 -19.9545 558319.7803 5.7664 5.9509 PRESSURE: 210800 33.0779 -79.809 -68.6431 -79.8082 -73.2995 -109.578 -68.6434 -109.578 118.012 GPRESSURE: 210800 40.3829 -91.5939 16.6865 -43.1999 -12.7434 -67.3429 -191.173 -157.036 150.178 PRESSAVG: 210800 4.79156 -60.9643 -2.51968 -60.9644 55.3034 -24.1876 -2.51967 -24.1875 -47.9926 GPRESSAVG: 210800 4.4334 -59.8421 -4.62416 -62.6374 56.2244 -23.1287 -2.65389 -24.5664 -47.7989 TIMING: 210800 CPU: 612.736, 0.00290545/step Wall: 612.736, 0.00290545/step, 3.86522 hours remaining, 203.781250 MB of memory in use. ENERGY: 210800 755.2268 2142.9238 1930.2909 94.3466 -206225.7040 17715.7039 0.0000 0.0000 34198.0954 -149389.1167 298.6605 -183587.2120 -149297.1889 298.5529 25.9301 59.2726 555183.2809 4.0341 4.2863 PRESSURE: 211000 -194.095 -7.44411 124.374 -7.44499 -109.798 108.937 124.374 108.939 -26.8658 GPRESSURE: 211000 -129.26 38.6789 161.227 -82.1395 -56.0277 69.5507 91.1091 89.5654 -47.9752 PRESSAVG: 211000 7.32695 -28.4598 44.3532 -28.4596 -46.2875 -8.4385 44.3531 -8.43838 45.4289 GPRESSAVG: 211000 6.47623 -30.0789 46.9369 -28.298 -45.6206 -11.0221 44.8222 -7.48896 45.8621 TIMING: 211000 CPU: 613.321, 0.00292871/step Wall: 613.321, 0.00292871/step, 3.896 hours remaining, 203.781250 MB of memory in use. ENERGY: 211000 735.5186 2153.2257 1984.1412 99.5255 -206565.3510 17955.9115 0.0000 0.0000 34117.1477 -149519.8808 297.9535 -183637.0285 -149424.2021 298.3088 -110.2531 -77.7543 558314.1856 2.1561 2.2393 PRESSURE: 211200 -109.164 -65.7949 -113.723 -65.7953 -17.188 -107.913 -113.722 -107.913 -135.766 GPRESSURE: 211200 -64.7523 48.419 -56.8696 -91.0696 -25.9921 -63.1316 -138.867 -78.0408 -67.6374 PRESSAVG: 211200 48.0719 -21.1002 7.42025 -21.1002 -1.49107 -65.4973 7.42019 -65.4974 -72.3489 GPRESSAVG: 211200 48.2155 -20.1324 5.67823 -20.8231 -1.17079 -66.0049 8.06835 -63.8851 -72.7309 TIMING: 211200 CPU: 613.902, 0.00290135/step Wall: 613.902, 0.00290135/step, 3.85944 hours remaining, 203.781250 MB of memory in use. ENERGY: 211200 765.1547 2046.3520 1994.4896 103.0624 -206316.4301 17739.9813 0.0000 0.0000 34316.2057 -149351.1844 299.6920 -183667.3901 -149260.5354 298.2069 -87.3730 -52.7939 556471.8326 -8.5894 -8.5621 PRESSURE: 211400 131.266 18.1748 -13.9372 18.1755 46.4849 11.0957 -13.9368 11.0972 -212.782 GPRESSURE: 211400 97.0688 96.4931 -47.8231 -25.4591 114.936 78.2552 -1.79166 -14.7586 -161.079 PRESSAVG: 211400 -11.3013 -6.12688 -3.83497 -6.12689 46.4299 -7.90644 -3.83488 -7.90642 -8.13339 GPRESSAVG: 211400 -11.2036 -7.28327 -3.03562 -4.97761 44.3933 -7.69538 -5.11807 -9.91652 -6.58217 TIMING: 211400 CPU: 614.488, 0.00293169/step Wall: 614.488, 0.00293169/step, 3.89964 hours remaining, 203.781250 MB of memory in use. ENERGY: 211400 732.9592 2080.9833 1977.3926 112.4589 -205978.0125 17656.3932 0.0000 0.0000 34130.3678 -149287.4576 298.0690 -183417.8255 -149193.9584 299.0391 -11.6768 16.9752 557082.0942 8.9984 8.8692 PRESSURE: 211600 -352.711 90.0047 -218.72 90.004 -150.422 -2.53682 -218.721 -2.53724 -229.422 GPRESSURE: 211600 -305.389 -0.569078 -249.584 79.3603 -135.126 25.7674 -264.973 -39.719 -186.284 PRESSAVG: 211600 10.6909 47.5233 -21.3203 47.5234 38.4278 24.7849 -21.3203 24.7848 -33.4236 GPRESSAVG: 211600 10.4388 48.39 -21.5969 47.1907 38.9794 26.5281 -20.1363 23.5455 -34.1999 TIMING: 211600 CPU: 615.073, 0.00292297/step Wall: 615.073, 0.00292297/step, 3.88787 hours remaining, 203.781250 MB of memory in use. ENERGY: 211600 757.2899 2075.9301 1976.7917 112.7905 -205727.1095 17365.7505 0.0000 0.0000 34079.7552 -149358.8015 297.6270 -183438.5568 -149262.3788 297.9701 -244.1849 -208.9334 557032.1429 5.2317 5.0728 PRESSURE: 211800 145.353 140.071 -97.6939 140.07 25.5386 19.3354 -97.6937 19.3357 102.267 GPRESSURE: 211800 150.26 69.2211 -83.934 125.386 92.115 -40.6011 -52.0991 92.9876 125.308 PRESSAVG: 211800 21.921 46.3108 -31.8668 46.3108 18.784 0.105192 -31.8668 0.105152 -2.89925 GPRESSAVG: 211800 22.2349 43.3517 -31.9182 47.8445 18.4684 0.599353 -32.4622 1.73576 -3.16952 TIMING: 211800 CPU: 615.656, 0.00291909/step Wall: 615.656, 0.00291909/step, 3.88256 hours remaining, 203.781250 MB of memory in use. ENERGY: 211800 765.6592 2114.3128 1939.7982 111.0392 -206445.1396 17960.1951 0.0000 0.0000 34218.2172 -149335.9179 298.8362 -183554.1351 -149239.1894 298.5939 91.0529 122.5611 556397.1880 12.6019 12.5113 PRESSURE: 212000 91.9 21.6305 44.8835 21.6315 87.5414 126.571 44.8835 126.57 153.11 GPRESSURE: 212000 156.315 47.4079 -50.465 6.59983 155.298 83.9754 21.0479 87.3409 119.028 PRESSAVG: 212000 -72.4014 11.0093 26.9215 11.0094 85.1518 -27.5246 26.9215 -27.5245 -20.835 GPRESSAVG: 212000 -73.8359 13.1653 26.1602 8.64772 85.5287 -28.4288 26.3078 -28.2212 -20.1935 TIMING: 212000 CPU: 616.238, 0.00290628/step Wall: 616.238, 0.00290628/step, 3.86535 hours remaining, 203.781250 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: 212000 742.4103 2120.8415 1966.5545 113.4462 -206543.0896 18138.0520 0.0000 0.0000 34148.6011 -149313.1838 298.2282 -183461.7849 -149209.9635 299.1076 110.8504 143.5468 556491.2314 -2.6949 -2.8336 PRESSURE: 212200 107.208 8.64532 -106.741 8.6448 111.357 -145.581 -106.741 -145.582 -103.763 GPRESSURE: 212200 77.9918 17.5537 -130.799 26.0603 132.707 -208.897 -96.3273 -134.31 -3.34565 PRESSAVG: 212200 -49.121 24.5694 19.1794 24.5694 30.0888 -0.0580079 19.1793 -0.0581058 22.5819 GPRESSAVG: 212200 -48.8791 25.0069 18.3416 25.9027 30.3548 -0.612507 20.019 1.84554 21.6323 TIMING: 212200 CPU: 616.824, 0.00293114/step Wall: 616.824, 0.00293114/step, 3.89825 hours remaining, 203.781250 MB of memory in use. ENERGY: 212200 748.7958 2191.5088 1973.1407 108.5230 -206648.3206 18038.0807 0.0000 0.0000 34166.3667 -149421.9048 298.3834 -183588.2715 -149325.4117 298.6359 38.2673 69.1176 556582.5589 1.1832 1.0360 LDB: ============= START OF LOAD BALANCING ============== 620.29 LDB: ============== END OF LOAD BALANCING =============== 620.291 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 620.292 LDB: ============= START OF LOAD BALANCING ============== 620.582 LDB: Largest compute 4820 load 0.029206 is 24.9% of average load 0.117458 LDB: Average compute 0.001732 is 1.5% of average load 0.117458 LDB: TIME 620.585 LOAD: AVG 0.117458 MAX 0.177978 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.188 MB LDB: TIME 620.585 LOAD: AVG 0.117458 MAX 0.177978 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.391 MB LDB: TIME 620.585 LOAD: AVG 0.117458 MAX 0.177978 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.391 MB LDB: ============== END OF LOAD BALANCING =============== 620.587 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 620.591 PRESSURE: 212400 -261.485 6.37852 -42.2625 6.3786 -78.4337 -26.4242 -42.2637 -26.4261 -92.5873 GPRESSURE: 212400 -263.582 11.7526 -24.5102 11.1448 -26.5538 -69.7143 28.5552 54.0374 -43.9538 PRESSAVG: 212400 -4.18891 59.5114 45.7697 59.5114 -29.8105 4.38234 45.7698 4.38227 69.0848 GPRESSAVG: 212400 -3.52777 59.0048 48.1016 60.1522 -30.5439 5.68618 45.1239 3.36883 69.0901 TIMING: 212400 CPU: 617.416, 0.00295886/step Wall: 617.416, 0.00295886/step, 3.93495 hours remaining, 202.218750 MB of memory in use. ENERGY: 212400 742.3021 2078.6671 1985.4605 109.7394 -205823.1377 17744.8026 0.0000 0.0000 33857.2870 -149304.8789 295.6841 -183162.1659 -149207.6728 298.9210 -144.1687 -111.3631 559547.3886 11.6951 11.6728 PRESSURE: 212600 -235.847 -3.27206 -74.577 -3.27325 -112.342 17.5689 -74.5767 17.5686 -210.802 GPRESSURE: 212600 -172.967 29.0001 -77.7938 -20.1054 -133.055 48.7695 -58.5717 20.4871 -176.553 PRESSAVG: 212600 -2.30276 36.3707 32.3219 36.3707 -0.28558 12.2284 32.3218 12.2285 -35.718 GPRESSAVG: 212600 -2.45478 37.1369 32.1732 34.9844 -0.751564 9.97726 32.313 14.0651 -35.5989 TIMING: 212600 CPU: 618.003, 0.00293601/step Wall: 618.003, 0.00293601/step, 3.90441 hours remaining, 202.421875 MB of memory in use. ENERGY: 212600 749.2779 2122.5485 1959.2226 105.5208 -206256.6070 17674.9060 0.0000 0.0000 34341.1130 -149304.0182 299.9095 -183645.1312 -149208.6617 298.1137 -186.3304 -160.8584 559979.7793 -12.7688 -12.9351 PRESSURE: 212800 217.405 -212.215 116.236 -212.216 199.291 -63.943 116.237 -63.9416 158.861 GPRESSURE: 212800 229.478 -191.328 141.537 -227.52 248.479 -112.473 160.288 -67.4627 205.339 PRESSAVG: 212800 63.4872 -39.6173 14.9953 -39.6173 -57.6292 58.3049 14.9954 58.305 -8.7788 GPRESSAVG: 212800 62.4746 -38.8979 14.5452 -39.094 -57.7756 58.9179 16.111 56.848 -7.88962 TIMING: 212800 CPU: 618.586, 0.00291726/step Wall: 618.586, 0.00291726/step, 3.8793 hours remaining, 202.421875 MB of memory in use. ENERGY: 212800 729.0705 2048.0828 1995.8527 120.8249 -206589.7296 18153.9824 0.0000 0.0000 34178.2251 -149363.6912 298.4869 -183541.9164 -149273.3651 298.7757 191.8523 227.7654 558055.5042 -0.9736 -1.0635 PRESSURE: 213000 266.584 187.779 100.328 187.779 34.6176 -84.6934 100.329 -84.6937 225.295 GPRESSURE: 213000 265.426 139.621 36.3824 120.334 78.8285 -77.6108 171.325 -85.1108 280.412 PRESSAVG: 213000 68.2558 24.4652 22.1902 24.4652 -42.9397 54.2263 22.1902 54.2263 19.9905 GPRESSAVG: 213000 68.7448 25.3772 20.3951 24.689 -42.8445 55.7566 23.1211 54.7458 19.4722 TIMING: 213000 CPU: 619.169, 0.00291273/step Wall: 619.169, 0.00291273/step, 3.87312 hours remaining, 202.691406 MB of memory in use. ENERGY: 213000 708.8465 2109.5160 1980.6334 109.4670 -206885.8852 18244.4295 0.0000 0.0000 34227.5067 -149505.4861 298.9173 -183732.9928 -149414.8826 298.3974 175.4989 208.2222 556571.3467 15.1022 15.1241 PRESSURE: 213200 186.542 5.45889 -43.9358 5.45835 -17.2154 -44.6773 -43.9362 -44.678 71.8775 GPRESSURE: 213200 187.446 73.359 -110.772 -42.4049 21.9236 -8.10099 -57.2919 -75.9591 124.511 PRESSAVG: 213200 60.5815 19.3337 0.99459 19.3337 -52.8873 -30.7867 0.99456 -30.7867 -18.4548 GPRESSAVG: 213200 61.1162 18.2751 2.06595 18.8435 -53.1202 -32.1927 -0.166486 -29.7088 -18.8568 TIMING: 213200 CPU: 619.751, 0.00291119/step Wall: 619.751, 0.00291119/step, 3.87091 hours remaining, 202.691406 MB of memory in use. ENERGY: 213200 753.7253 2100.6486 1962.2554 111.4653 -206819.0355 18170.1806 0.0000 0.0000 34131.2132 -149589.5471 298.0764 -183720.7603 -149492.8247 297.7327 80.4013 111.2935 556647.0678 -3.5869 -3.6203 PRESSURE: 213400 -65.2955 82.1223 -36.9305 82.1216 -158.257 53.8952 -36.9302 53.8952 95.1904 GPRESSURE: 213400 -106.204 76.5355 -18.655 74.5818 -117.646 161.302 19.5253 -4.46471 186.843 PRESSAVG: 213400 -11.5655 -24.8313 3.18073 -24.8315 -49.7207 0.294243 3.18077 0.294133 0.198802 GPRESSAVG: 213400 -13.2023 -26.2931 1.7884 -22.5125 -48.098 0.408673 2.00397 -0.960396 0.682057 TIMING: 213400 CPU: 620.336, 0.0029234/step Wall: 620.336, 0.0029234/step, 3.88698 hours remaining, 202.691406 MB of memory in use. ENERGY: 213400 712.8577 2146.2934 1983.3600 115.7848 -206724.1758 17972.7754 0.0000 0.0000 34157.1680 -149635.9365 298.3030 -183793.1045 -149543.1136 297.7242 -42.7875 -12.3358 557726.5865 -20.3625 -20.2061 PRESSURE: 213600 -95.4488 334.672 -41.1452 334.672 82.4228 -133.917 -41.1441 -133.917 237.442 GPRESSURE: 213600 -23.6335 301.878 -41.0142 329.578 73.5933 -114.833 -91.2878 -94.4576 268.094 PRESSAVG: 213600 -29.4667 -16.9889 47.5452 -16.9889 -20.4582 -55.6691 47.5452 -55.669 22.7942 GPRESSAVG: 213600 -28.2982 -14.9767 50.3338 -19.6174 -21.4995 -55.0658 47.8196 -54.7089 22.1141 TIMING: 213600 CPU: 620.92, 0.00292181/step Wall: 620.92, 0.00292181/step, 3.88471 hours remaining, 202.691406 MB of memory in use. ENERGY: 213600 726.2189 2137.9943 1962.7940 116.8348 -206456.2013 17924.0453 0.0000 0.0000 34062.5470 -149525.7670 297.4767 -183588.3140 -149428.7206 297.6298 74.8054 106.0181 557960.4287 -9.0436 -9.2278 PRESSURE: 213800 8.27584 -94.4561 -9.03823 -94.4557 13.1613 -46.3478 -9.0387 -46.3469 78.9869 GPRESSURE: 213800 14.85 -35.0106 6.77058 -119.345 22.4394 -17.2529 71.9609 -76.6667 161.774 PRESSAVG: 213800 -26.461 32.8649 35.1119 32.865 7.08645 22.8423 35.1119 22.8425 40.9132 GPRESSAVG: 213800 -26.4122 30.5857 35.6378 35.6012 7.07817 22.9758 34.2166 21.9268 41.2635 TIMING: 213800 CPU: 621.505, 0.00292367/step Wall: 621.505, 0.00292367/step, 3.88702 hours remaining, 202.691406 MB of memory in use. ENERGY: 213800 726.2503 2044.3461 1974.7319 115.6955 -206286.6367 17778.9885 0.0000 0.0000 34420.5899 -149226.0345 300.6036 -183646.6243 -149130.7661 299.1294 33.4747 66.3543 556557.0733 7.1796 7.3098 PRESSURE: 214000 49.5693 -47.7274 29.7068 -47.7285 -20.4679 2.22765 29.7071 2.22857 119.564 GPRESSURE: 214000 83.172 -79.7669 56.0629 -41.8227 1.13857 -32.5282 4.02207 69.0646 162.425 PRESSAVG: 214000 -27.3437 -6.35196 6.56569 -6.35195 19.2747 25.4907 6.56569 25.4907 22.2328 GPRESSAVG: 214000 -28.2865 -6.79643 7.15276 -6.87729 19.0984 25.4141 8.08895 25.56 23.7303 TIMING: 214000 CPU: 622.089, 0.00291858/step Wall: 622.089, 0.00291858/step, 3.88009 hours remaining, 202.691406 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: 214000 735.9514 2054.0509 1990.2985 108.4393 -206286.9516 17774.4611 0.0000 0.0000 34290.7585 -149332.9919 299.4697 -183623.7503 -149236.1451 299.5358 49.5551 82.2450 555472.3813 4.7213 4.8474 PRESSURE: 214200 77.7672 176.307 -54.8256 176.306 63.6288 144.219 -54.8247 144.217 -78.6137 GPRESSURE: 214200 121.045 234.21 -10.3607 153.141 143.799 94.1366 -87.8214 185.663 -107.021 PRESSAVG: 214200 4.99139 -24.9979 18.3818 -24.9979 48.7032 -22.2449 18.3819 -22.2449 -50.3495 GPRESSAVG: 214200 5.60492 -24.7639 17.8188 -25.3403 49.7289 -22.452 17.886 -20.4062 -52.1286 TIMING: 214200 CPU: 622.672, 0.00291895/step Wall: 622.672, 0.00291895/step, 3.88042 hours remaining, 202.691406 MB of memory in use. ENERGY: 214200 795.7223 2085.3302 1983.9468 120.1658 -206324.2631 17773.6367 0.0000 0.0000 34131.9625 -149433.4988 298.0829 -183565.4613 -149345.4474 298.7454 20.9274 52.6078 554680.3512 1.1150 1.0684 PRESSURE: 214400 26.998 18.9961 44.3873 18.9964 -14.6866 -72.7225 44.3887 -72.7216 83.0417 GPRESSURE: 214400 -26.38 -2.34666 -83.3412 10.8391 52.2968 -99.7877 -5.46708 -80.8725 165.591 PRESSAVG: 214400 29.9197 -10.5448 -24.0524 -10.5449 31.505 91.0395 -24.0524 91.0394 -50.4099 GPRESSAVG: 214400 29.0647 -12.4733 -23.9761 -9.66463 30.9669 90.5006 -23.4371 89.7182 -48.9239 TIMING: 214400 CPU: 623.25, 0.0028874/step Wall: 623.25, 0.0028874/step, 3.83831 hours remaining, 202.691406 MB of memory in use. ENERGY: 214400 770.3920 2123.5990 1946.2352 109.6159 -206737.0142 17951.6419 0.0000 0.0000 34484.7020 -149350.8282 301.1635 -183835.5302 -149256.4861 299.4370 31.7844 63.8360 555468.7076 3.6716 3.7026 PRESSURE: 214600 170.432 -13.5746 -14.405 -13.5734 165.291 -47.1114 -14.4043 -47.1117 315.81 GPRESSURE: 214600 169.223 56.9365 -46.857 -74.9821 224.771 -60.3048 -9.54951 -71.0599 366.234 PRESSAVG: 214600 7.80312 -79.9023 32.977 -79.9022 9.43213 6.39653 32.9769 6.39656 -16.8356 GPRESSAVG: 214600 8.61507 -79.3229 31.2232 -81.0873 10.4141 8.27842 33.2448 5.7485 -18.1276 TIMING: 214600 CPU: 623.831, 0.00290346/step Wall: 623.831, 0.00290346/step, 3.85951 hours remaining, 202.691406 MB of memory in use. ENERGY: 214600 730.7078 2121.5256 1988.2160 114.1168 -206802.5273 18133.1615 0.0000 0.0000 34297.1946 -149417.6050 299.5259 -183714.7996 -149326.2549 299.2724 217.1777 253.4092 554524.2466 0.1332 0.3005 PRESSURE: 214800 144.153 -5.84902 144.451 -5.84939 61.8589 -36.9838 144.452 -36.9823 -395.444 GPRESSURE: 214800 153.221 79.8923 122.166 -91.4973 59.4429 -114.371 130.89 20.8284 -302.292 PRESSAVG: 214800 -16.8576 -4.37728 61.4507 -4.37724 57.9131 6.53123 61.4507 6.5312 -33.8269 GPRESSAVG: 214800 -17.6695 -2.79859 62.6458 -4.77634 57.632 4.76057 60.0191 7.01627 -32.6191 TIMING: 214800 CPU: 624.414, 0.00291558/step Wall: 624.414, 0.00291558/step, 3.87545 hours remaining, 202.691406 MB of memory in use. ENERGY: 214800 760.8329 2042.5479 1995.9300 110.4493 -206288.7572 17812.5403 0.0000 0.0000 34288.3419 -149278.1149 299.4486 -183566.4567 -149187.1146 299.0835 -63.1441 -29.8759 556284.0282 2.4095 2.4478 PRESSURE: 215000 166.986 57.7316 44.8827 57.7314 10.2163 -27.5001 44.8832 -27.5006 -194.911 GPRESSURE: 215000 227.714 160.179 44.5002 -46.8391 15.5352 -145.69 82.7172 -24.0622 -163.507 PRESSAVG: 215000 -5.18219 -8.63801 -5.15809 -8.63796 40.4944 23.909 -5.15804 23.9089 -64.9399 GPRESSAVG: 215000 -4.98417 -11.6346 -5.3524 -8.13261 39.7396 24.1966 -5.50013 24.7452 -64.3866 TIMING: 215000 CPU: 624.999, 0.0029275/step Wall: 624.999, 0.0029275/step, 3.89113 hours remaining, 202.691406 MB of memory in use. ENERGY: 215000 748.2675 2103.9164 1977.9414 110.5846 -206303.1698 17775.0561 0.0000 0.0000 34389.9753 -149197.4285 300.3362 -183587.4039 -149104.7249 299.4313 -5.9029 26.5807 557145.1353 -9.8759 -9.8771 PRESSURE: 215200 -275.703 23.6352 44.8982 23.6338 -70.1033 -191.129 44.899 -191.128 -145.983 GPRESSURE: 215200 -273.861 3.78248 153.645 -37.8847 -27.4142 -104.613 10.4242 -200.304 -105.614 PRESSAVG: 215200 -5.58111 14.2607 94.0587 14.2606 36.9489 14.4508 94.0586 14.4508 17.982 GPRESSAVG: 215200 -5.262 18.0555 93.4718 12.9566 37.6661 13.9558 95.7246 14.047 16.3407 TIMING: 215200 CPU: 625.58, 0.00290473/step Wall: 625.58, 0.00290473/step, 3.86071 hours remaining, 202.691406 MB of memory in use. ENERGY: 215200 769.3881 2126.5888 1982.8922 117.0940 -206214.4988 17717.8438 0.0000 0.0000 34154.8961 -149345.7958 298.2832 -183500.6919 -149243.2450 299.2818 -163.9298 -135.6296 559096.2274 16.4499 16.2483 PRESSURE: 215400 -82.4983 -5.97236 -143.731 -5.97302 -189.358 92.0406 -143.731 92.04 -48.5252 GPRESSURE: 215400 -90.638 24.623 -122.13 -48.7675 -157.826 191.564 -230.486 -15.2452 19.4 PRESSAVG: 215400 -18.8836 8.12485 11.8302 8.12485 -9.46991 -88.2377 11.8303 -88.2376 40.1694 GPRESSAVG: 215400 -18.8458 5.67084 11.5901 9.03223 -11.2606 -88.4846 10.789 -88.8574 42.1761 TIMING: 215400 CPU: 626.165, 0.00292678/step Wall: 626.165, 0.00292678/step, 3.88985 hours remaining, 202.691406 MB of memory in use. ENERGY: 215400 733.4055 2124.4061 1967.3919 130.2397 -206147.1683 17586.3706 0.0000 0.0000 34415.8041 -149189.5504 300.5618 -183605.3545 -149084.9791 299.3887 -106.7940 -76.3548 557303.7732 3.9386 4.0232 PRESSURE: 215600 44.9133 53.8679 17.4207 53.8679 9.87441 -181.576 17.4209 -181.575 -118.978 GPRESSURE: 215600 103.397 128.542 -6.89798 2.20293 66.5281 -106.077 -29.0646 -224.007 -129.815 PRESSAVG: 215600 37.283 -0.668629 -25.3201 -0.668655 -39.0197 -32.4505 -25.3201 -32.4503 11.3935 GPRESSAVG: 215600 36.5853 0.431511 -24.6566 -0.807255 -37.0704 -33.5893 -25.7897 -30.9916 10.3057 TIMING: 215600 CPU: 626.75, 0.00292082/step Wall: 626.75, 0.00292082/step, 3.88177 hours remaining, 202.691406 MB of memory in use. ENERGY: 215600 726.6409 2054.9164 1988.1760 114.1489 -206151.2992 17843.8573 0.0000 0.0000 34340.5469 -149083.0128 299.9045 -183423.5597 -148978.9039 299.7345 -21.3968 13.3700 556893.3019 3.2190 3.2735 PRESSURE: 215800 -117.494 -18.9786 -1.86437 -18.9789 26.133 46.0499 -1.86505 46.0498 121.359 GPRESSURE: 215800 -99.1414 -18.5858 33.0681 -82.3796 77.0229 -69.3676 -70.1474 124.805 165.65 PRESSAVG: 215800 -10.6066 10.8332 44.228 10.8332 -15.7787 -49.7694 44.2279 -49.7695 27.5419 GPRESSAVG: 215800 -10.1958 12.5396 45.6359 10.4068 -17.1872 -48.815 44.7192 -51.5916 28.8064 TIMING: 215800 CPU: 627.336, 0.00293441/step Wall: 627.336, 0.00293441/step, 3.89967 hours remaining, 202.691406 MB of memory in use. ENERGY: 215800 750.9816 2178.6201 1985.0108 111.5670 -206210.1930 17810.2591 0.0000 0.0000 34425.8844 -148947.8701 300.6498 -183373.7545 -148851.7569 299.3379 9.9991 47.8440 555130.3651 0.3855 0.4744 PRESSURE: 216000 -39.4164 -32.354 -62.8652 -32.3532 -104.199 -53.6517 -62.8658 -53.6534 9.17836 GPRESSURE: 216000 -43.1848 0.661307 3.19152 -30.8583 -47.3525 -62.8869 -78.5388 -70.9339 46.9682 PRESSAVG: 216000 -5.77447 9.40993 -12.1152 9.40997 25.7875 -6.78666 -12.1152 -6.78672 -39.5272 GPRESSAVG: 216000 -5.47915 7.97055 -14.6035 9.72835 26.6572 -7.83142 -12.5435 -4.1329 -40.4423 TIMING: 216000 CPU: 627.928, 0.00295749/step Wall: 627.928, 0.00295749/step, 3.93017 hours remaining, 202.890625 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: 216000 727.8048 2125.7490 1964.3296 112.8873 -206051.3429 17673.3627 0.0000 0.0000 34349.4368 -149097.7727 299.9822 -183447.2095 -148994.9810 299.8360 -44.8122 -14.5230 556197.7769 -6.5047 -6.4214 PRESSURE: 216200 -88.5587 -38.851 4.54589 -38.8509 -251.733 -60.5898 4.54478 -60.5917 -375.647 GPRESSURE: 216200 -139.665 -58.9212 -9.81195 -25.9479 -185.462 -65.5006 76.9299 -61.4008 -294.193 PRESSAVG: 216200 68.3735 -35.0589 -28.5529 -35.0589 54.4203 -45.2046 -28.553 -45.2047 -70.3773 GPRESSAVG: 216200 69.1379 -34.7926 -26.6892 -35.0934 53.268 -43.8749 -28.255 -47.2496 -70.0636 TIMING: 216200 CPU: 628.518, 0.00295183/step Wall: 628.518, 0.00295183/step, 3.92249 hours remaining, 202.890625 MB of memory in use. ENERGY: 216200 742.0211 2099.9173 1970.5147 116.0899 -205465.7014 17380.9477 0.0000 0.0000 34033.4539 -149122.7568 297.2226 -183156.2107 -149023.3696 299.2929 -238.6461 -206.4401 556326.4584 17.4722 17.4474 LDB: ============= START OF LOAD BALANCING ============== 631.988 LDB: ============== END OF LOAD BALANCING =============== 631.988 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 631.99 LDB: ============= START OF LOAD BALANCING ============== 632.286 LDB: Largest compute 4820 load 0.030357 is 25.9% of average load 0.117398 LDB: Average compute 0.001739 is 1.5% of average load 0.117398 LDB: TIME 632.289 LOAD: AVG 0.117398 MAX 0.176333 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.906 MB LDB: TIME 632.289 LOAD: AVG 0.117398 MAX 0.176333 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.906 MB LDB: TIME 632.289 LOAD: AVG 0.117398 MAX 0.176333 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.906 MB LDB: ============== END OF LOAD BALANCING =============== 632.291 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 632.295 PRESSURE: 216400 -211.462 -103.168 -69.1698 -103.167 -118.267 22.4912 -69.1694 22.4897 -122.375 GPRESSURE: 216400 -181.695 -84.7197 -72.3752 -62.5594 -103.26 -57.0995 -40.3257 6.7115 -64.0269 PRESSAVG: 216400 -40.8318 -39.3492 13.324 -39.3493 6.29777 -23.603 13.3239 -23.6031 20.1055 GPRESSAVG: 216400 -41.5443 -40.5654 13.192 -39.2962 6.71273 -23.9189 12.7329 -22.5909 20.8334 TIMING: 216400 CPU: 629.12, 0.00300705/step Wall: 629.12, 0.00300705/step, 3.9957 hours remaining, 201.394531 MB of memory in use. ENERGY: 216400 750.3714 2127.4283 1987.9830 100.7233 -205607.0298 17408.9323 0.0000 0.0000 34145.8312 -149085.7602 298.2040 -183231.5915 -148981.9621 299.0774 -150.7015 -116.3271 557105.1727 -4.8095 -4.6661 PRESSURE: 216600 127.72 119.877 -51.7311 119.877 244.062 -15.4565 -51.7306 -15.4558 -102.281 GPRESSURE: 216600 142.103 139.822 -68.3584 36.0794 293.869 0.669405 -27.6216 -82.0713 -67.5763 PRESSAVG: 216600 -23.879 -19.4684 37.2115 -19.4684 55.2452 -3.37543 37.2115 -3.37541 -23.4068 GPRESSAVG: 216600 -24.2311 -19.6006 36.2876 -18.2661 56.2199 -2.9174 38.9871 -4.6747 -23.9081 TIMING: 216600 CPU: 629.705, 0.00292721/step Wall: 629.705, 0.00292722/step, 3.88946 hours remaining, 201.464844 MB of memory in use. ENERGY: 216600 725.4274 2030.4392 1989.7169 105.4100 -206243.3885 17998.9090 0.0000 0.0000 34373.6302 -149019.8558 300.1935 -183393.4860 -148919.4882 300.0015 89.8336 122.7986 557935.2171 2.6531 2.6936 PRESSURE: 216800 51.5409 269.698 174.2 269.696 -273.625 269.163 174.2 269.163 -36.8559 GPRESSURE: 216800 120.794 284.001 88.0338 220.18 -273.361 313.939 149.506 347.768 -1.57492 PRESSAVG: 216800 47.5393 8.10321 32.726 8.1032 -0.879133 49.4898 32.726 49.4897 -65.1242 GPRESSAVG: 216800 47.2259 9.64759 33.6475 7.3677 -1.19237 47.729 30.9067 49.746 -64.197 TIMING: 216800 CPU: 630.292, 0.00293151/step Wall: 630.292, 0.00293151/step, 3.895 hours remaining, 201.464844 MB of memory in use. ENERGY: 216800 761.2021 2030.4996 1963.3922 110.7307 -206074.8486 17801.9652 0.0000 0.0000 34305.6600 -149101.3990 299.5999 -183407.0589 -148994.3604 299.4350 -86.3132 -51.3807 557624.2731 -6.1547 -6.0545 PRESSURE: 217000 33.316 24.2214 88.3258 24.2219 15.717 116.182 88.3272 116.183 -261.42 GPRESSURE: 217000 19.179 71.0593 108.33 59.6496 80.0903 124.569 89.7802 75.5624 -223.105 PRESSAVG: 217000 21.2517 1.06578 50.7144 1.06591 52.2226 69.657 50.7145 69.657 -73.829 GPRESSAVG: 217000 21.333 -0.0354795 48.3406 0.519362 52.2334 71.9671 51.1394 70.8012 -74.3907 TIMING: 217000 CPU: 630.871, 0.00289778/step Wall: 630.871, 0.00289778/step, 3.85002 hours remaining, 201.464844 MB of memory in use. ENERGY: 217000 774.2614 2037.7961 1940.4454 114.4110 -206105.4358 17612.2568 0.0000 0.0000 34430.4073 -149195.8577 300.6893 -183626.2651 -149098.8270 299.9675 -70.7956 -41.2786 556382.7564 -0.1182 -0.2748 PRESSURE: 217200 23.3367 30.153 63.5684 30.1527 -19.6636 51.7745 63.5685 51.7737 -46.3624 GPRESSURE: 217200 47.0282 87.1141 135.928 -38.9032 -10.0146 76.2056 21.23 27.4881 18.4818 PRESSAVG: 217200 41.8229 -39.3532 29.5423 -39.3532 12.847 -11.4022 29.5424 -11.402 -57.7235 GPRESSAVG: 217200 41.6162 -38.7051 31.6386 -41.2449 13.0117 -11.9383 28.3743 -13.3155 -57.9459 TIMING: 217200 CPU: 631.457, 0.00293168/step Wall: 631.457, 0.00293168/step, 3.8949 hours remaining, 201.464844 MB of memory in use. ENERGY: 217200 763.8034 2082.3483 1950.4746 109.5654 -206176.3605 17758.3388 0.0000 0.0000 34440.3884 -149071.4416 300.7765 -183511.8300 -148976.8462 299.8286 -14.2298 18.4985 556927.3264 -1.0179 -1.1060 PRESSURE: 217400 207.489 -25.3804 -5.83914 -25.3798 6.56086 -29.7774 -5.83916 -29.7787 162.724 GPRESSURE: 217400 241.533 -26.8948 -58.387 -39.582 69.8223 -100.36 23.0034 0.343112 155.991 PRESSAVG: 217400 37.0909 -41.5144 19.4918 -41.5143 20.9929 -30.0628 19.4918 -30.0628 -75.6367 GPRESSAVG: 217400 38.0659 -42.4162 19.728 -41.1331 21.4612 -28.1668 19.976 -29.8613 -76.9244 TIMING: 217400 CPU: 632.04, 0.00291061/step Wall: 632.04, 0.00291061/step, 3.86675 hours remaining, 201.464844 MB of memory in use. ENERGY: 217400 732.4365 2084.1144 1956.6344 121.4061 -206094.5397 17915.6514 0.0000 0.0000 34331.0504 -148953.2466 299.8216 -183284.2970 -148856.5665 299.3449 125.5914 155.7819 558270.3733 -5.8510 -5.7991 PRESSURE: 217600 -29.7659 -190.455 12.8961 -190.455 100.964 137.585 12.8961 137.585 -265.716 GPRESSURE: 217600 -26.6104 -172.176 18.9529 -205.923 129.816 75.6072 -32.647 229.762 -198.544 PRESSAVG: 217600 1.206 -31.0061 -13.5031 -31.0061 29.5969 -13.6326 -13.503 -13.6323 -1.26434 GPRESSAVG: 217600 2.25159 -29.4807 -13.1041 -30.1903 28.0822 -15.4964 -14.3417 -13.4972 -0.616609 TIMING: 217600 CPU: 632.622, 0.0029124/step Wall: 632.622, 0.0029124/step, 3.86896 hours remaining, 201.464844 MB of memory in use. ENERGY: 217600 746.3807 2049.7718 1985.7521 105.2796 -205458.3084 17602.9333 0.0000 0.0000 34252.4249 -148715.7660 299.1349 -182968.1909 -148618.0752 300.2303 -64.8393 -31.7795 557952.0350 9.8462 9.9057 PRESSURE: 217800 23.1513 76.753 -90.9472 76.7516 -260.889 22.2881 -90.9467 22.2894 -94.0268 GPRESSURE: 217800 71.0134 121.843 -67.9222 -25.4329 -183.46 28.5922 -146.465 21.1184 -123.562 PRESSAVG: 217800 7.77498 -5.27638 -1.43892 -5.27639 20.1387 63.785 -1.439 63.785 1.80667 GPRESSAVG: 217800 7.71144 -6.37806 -0.909753 -5.12166 20.0423 63.0023 -1.46253 64.2926 2.40838 TIMING: 217800 CPU: 633.206, 0.00291881/step Wall: 633.206, 0.00291881/step, 3.87732 hours remaining, 201.464844 MB of memory in use. ENERGY: 217800 742.4356 2123.1575 1964.8999 105.7099 -205867.6650 17588.9809 0.0000 0.0000 34321.5992 -149020.8819 299.7391 -183342.4811 -148918.8836 299.4729 -110.5882 -78.6695 558557.3640 9.9068 10.0540 PRESSURE: 218000 -86.1195 13.2498 -69.8496 13.2503 -167.2 56.9504 -69.8479 56.9503 -76.1722 GPRESSURE: 218000 -103.484 -16.8632 -34.9662 -93.808 -129.459 58.3982 -34.1969 8.65359 1.57702 PRESSAVG: 218000 10.0187 4.42397 12.6498 4.42399 33.4841 14.9571 12.6497 14.9571 -89.4121 GPRESSAVG: 218000 8.61035 4.71654 10.1554 3.9602 34.3567 15.3498 15.1323 15.1623 -88.8269 TIMING: 218000 CPU: 633.795, 0.00294863/step Wall: 633.795, 0.00294863/step, 3.91676 hours remaining, 201.464844 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: 218000 770.6936 2087.8219 1998.0411 116.0348 -206040.6305 17689.8779 0.0000 0.0000 34312.9710 -149065.1903 299.6637 -183378.1613 -148972.0238 299.0982 -109.8304 -77.1219 558533.9975 -15.3031 -15.2866 PRESSURE: 218200 -254.502 44.5215 11.3675 44.5203 -147.366 70.3086 11.3668 70.3078 219.412 GPRESSURE: 218200 -207.91 67.6124 69.1751 -5.93881 -83.3719 -60.6685 -18.2749 76.8092 220.215 PRESSAVG: 218200 -19.1783 12.5116 -33.1611 12.5116 -14.3584 16.4634 -33.1611 16.4633 5.32598 GPRESSAVG: 218200 -17.7839 11.6615 -30.9839 10.9815 -14.627 16.722 -32.748 16.3921 3.8799 TIMING: 218200 CPU: 634.386, 0.00295067/step Wall: 634.386, 0.00295067/step, 3.91931 hours remaining, 201.464844 MB of memory in use. ENERGY: 218200 733.8937 2067.3392 1979.5351 115.1743 -205995.9521 17764.7725 0.0000 0.0000 34295.5974 -149039.6400 299.5120 -183335.2374 -148942.0713 299.1152 -60.8185 -23.6892 558357.3619 -9.4036 -9.5103 PRESSURE: 218400 -113.591 -32.519 150.061 -32.5184 98.2993 -61.5244 150.06 -61.5246 306.522 GPRESSURE: 218400 -107.672 -18.8667 67.3651 30.8845 167.267 -9.44285 187.133 -62.3041 322.835 PRESSAVG: 218400 42.9217 13.622 -58.1531 13.6221 -57.55 -16.4553 -58.1531 -16.4554 40.5688 GPRESSAVG: 218400 43.2637 13.0233 -58.9101 17.6487 -58.4387 -16.3157 -59.8935 -16.2043 40.5828 TIMING: 218400 CPU: 634.972, 0.00293119/step Wall: 634.972, 0.00293119/step, 3.89327 hours remaining, 201.464844 MB of memory in use. ENERGY: 218400 811.4292 2042.2905 1986.1630 121.7684 -206621.2961 18000.2026 0.0000 0.0000 34546.4914 -149112.9510 301.7031 -183659.4423 -149015.2766 299.5631 97.0768 127.4765 556717.4523 8.6468 8.4693 PRESSURE: 218600 200.327 82.8941 65.4541 82.8938 -23.4305 -96.0408 65.4548 -96.0403 -146.859 GPRESSURE: 218600 171.493 146.637 62.1695 -12.2404 47.6072 -151.204 144.278 -97.8582 -86.8544 PRESSAVG: 218600 -38.7837 77.2653 3.4269 77.2653 6.62556 9.86578 3.42678 9.8657 -3.11416 GPRESSAVG: 218600 -40.0322 78.9678 4.99129 75.281 7.22939 11.8172 2.16573 8.68384 -2.3457 TIMING: 218600 CPU: 635.557, 0.00292754/step Wall: 635.557, 0.00292754/step, 3.88826 hours remaining, 201.464844 MB of memory in use. ENERGY: 218600 709.4803 2088.9703 1985.9715 99.4337 -206255.0274 17854.3836 0.0000 0.0000 34461.9765 -149054.8115 300.9650 -183516.7879 -148957.4036 299.4787 10.0126 44.0820 558770.2388 -11.7574 -11.7162 PRESSURE: 218800 0.000989551 54.4936 -44.707 54.4937 175.711 21.3289 -44.7074 21.33 221.487 GPRESSURE: 218800 -13.9542 119.922 -40.5118 116.325 212.283 24.501 40.224 22.723 284.372 PRESSAVG: 218800 -5.1296 8.97829 0.84205 8.97825 -1.61528 13.1072 0.842024 13.1073 24.169 GPRESSAVG: 218800 -4.60531 10.6993 0.810558 9.676 -1.85556 11.5291 2.78708 13.9707 24.2567 TIMING: 218800 CPU: 636.142, 0.00292151/step Wall: 636.142, 0.00292151/step, 3.88009 hours remaining, 201.464844 MB of memory in use. ENERGY: 218800 712.7384 2114.0338 1994.4861 114.7625 -206182.9486 17833.9570 0.0000 0.0000 34296.0941 -149116.8767 299.5163 -183412.9707 -149021.4239 299.6036 132.3997 160.9000 556727.5103 5.8080 5.9319 PRESSURE: 219000 -130.855 28.8922 33.5341 28.8932 -434.415 -81.441 33.5343 -81.441 -209.732 GPRESSURE: 219000 -84.0801 47.6246 129.849 50.4859 -394.959 -126.723 -3.42497 0.659517 -197.08 PRESSAVG: 219000 -43.6121 21.7993 -48.2136 21.7994 -52.8932 -15.4421 -48.2135 -15.4421 75.2981 GPRESSAVG: 219000 -44.038 19.6276 -49.1056 24.0027 -52.4114 -15.7868 -49.3743 -14.8726 74.8401 TIMING: 219000 CPU: 636.72, 0.00288935/step Wall: 636.72, 0.00288935/step, 3.83721 hours remaining, 201.464844 MB of memory in use. ENERGY: 219000 718.3110 2113.1795 1973.3501 123.1463 -205969.3149 17623.9923 0.0000 0.0000 34240.1803 -149177.1553 299.0280 -183417.3356 -149078.1707 299.4725 -258.3342 -225.3729 559389.5465 -7.0691 -7.2031 PRESSURE: 219200 -42.3464 -106.508 -124.748 -106.508 -50.9746 16.7737 -124.746 16.7722 1.25706 GPRESSURE: 219200 9.56497 -100.227 -173.103 -79.2752 10.9313 50.3998 -86.65 84.1917 -8.68083 PRESSAVG: 219200 19.1869 8.59151 -28.8781 8.59152 -49.3582 38.6713 -28.8781 38.6712 56.281 GPRESSAVG: 219200 18.7182 10.9986 -28.2486 5.51226 -48.3936 37.4775 -30.296 38.3412 56.4404 TIMING: 219200 CPU: 637.295, 0.0028751/step Wall: 637.295, 0.0028751/step, 3.81814 hours remaining, 201.464844 MB of memory in use. ENERGY: 219200 748.7783 2102.3554 2006.7679 106.0953 -206355.4615 17964.1494 0.0000 0.0000 34159.6105 -149267.7047 298.3244 -183427.3152 -149170.5200 299.5479 -30.6880 3.9385 557164.7017 8.7032 8.9217 PRESSURE: 219400 -27.2084 11.5202 121.593 11.5194 -0.271277 -82.8154 121.595 -82.815 47.0437 GPRESSURE: 219400 40.9306 -32.4201 115.737 36.7257 -18.9687 -59.8583 89.1394 -96.5034 112.514 PRESSAVG: 219400 -26.5937 -8.11787 22.9538 -8.11794 -27.1916 -33.0286 22.9538 -33.0285 25.6455 GPRESSAVG: 219400 -25.9273 -9.42796 19.4099 -6.9684 -27.6601 -30.5191 24.594 -33.657 25.8772 TIMING: 219400 CPU: 637.874, 0.0028968/step Wall: 637.874, 0.0028968/step, 3.84678 hours remaining, 201.464844 MB of memory in use. ENERGY: 219400 780.6798 2082.2774 1987.5620 104.3578 -206134.1738 17832.4383 0.0000 0.0000 34019.6958 -149327.1628 297.1025 -183346.8585 -149232.4908 298.6355 6.5213 44.8251 557712.0050 -9.3799 -9.2367 PRESSURE: 219600 -62.5674 15.44 68.1576 15.4413 -132.172 161.335 68.1571 161.335 30.6729 GPRESSURE: 219600 -29.6128 -23.5099 72.4002 65.7447 -101.527 169.259 109.39 106.162 72.1457 PRESSAVG: 219600 -17.2781 -35.2967 17.2138 -35.2967 -22.9613 -12.8545 17.2138 -12.8544 45.1479 GPRESSAVG: 219600 -17.1402 -32.9919 20.6041 -35.9698 -22.6713 -13.896 15.737 -11.8754 44.7297 TIMING: 219600 CPU: 638.454, 0.00290122/step Wall: 638.454, 0.00290122/step, 3.85249 hours remaining, 201.464844 MB of memory in use. ENERGY: 219600 722.4977 2078.4030 1981.8583 125.4860 -206176.8791 17813.3114 0.0000 0.0000 34087.2415 -149368.0812 297.6924 -183455.3227 -149256.6448 298.7739 -54.6888 -19.6648 558265.2896 1.6362 1.6394 PRESSURE: 219800 -182.376 81.715 -69.3696 81.7144 -26.0051 -41.9385 -69.3706 -41.9377 -262.217 GPRESSURE: 219800 -145.511 168.638 -66.7933 3.82638 -3.38585 10.7463 -77.4004 -112.325 -230.448 PRESSAVG: 219800 -34.4831 -4.0831 25.9127 -4.08305 18.6187 4.83259 25.9126 4.83255 11.6163 GPRESSAVG: 219800 -35.6925 -4.73576 26.0691 -4.96145 18.7354 7.15394 25.5651 3.05186 12.941 TIMING: 219800 CPU: 639.032, 0.00288815/step Wall: 639.032, 0.00288815/step, 3.83498 hours remaining, 201.464844 MB of memory in use. ENERGY: 219800 740.0757 2087.7037 1980.1313 123.8485 -206089.3727 17756.4259 0.0000 0.0000 34314.3268 -149086.8608 299.6756 -183401.1876 -148990.0252 299.2389 -156.8663 -126.4483 558649.3965 -1.4160 -1.3387 PRESSURE: 220000 -349.909 64.7861 102.181 64.7857 37.9826 94.1471 102.181 94.1466 -136.062 GPRESSURE: 220000 -260.535 68.0102 106.052 9.96066 17.1628 158.027 131.205 71.8498 -107.981 PRESSAVG: 220000 14.5355 79.0304 6.21189 79.0303 -5.02652 57.7531 6.21196 57.7531 5.58324 GPRESSAVG: 220000 15.6768 79.0114 6.07722 78.4358 -6.37805 56.2954 8.70802 58.2232 5.60586 TIMING: 220000 CPU: 639.614, 0.00290881/step Wall: 639.614, 0.00290881/step, 3.86225 hours remaining, 201.464844 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: 220000 749.5675 2095.2384 1966.0195 117.2675 -206006.8342 17651.9165 0.0000 0.0000 34304.9772 -149121.8476 299.5939 -183426.8248 -149022.3040 299.3507 -149.3296 -117.1176 557938.5137 5.0307 4.9682 PRESSURE: 220200 43.0015 62.649 -65.9653 62.6494 -146.748 55.9545 -65.9651 55.9566 172.487 GPRESSURE: 220200 64.587 14.411 -87.0657 75.8882 -46.0073 62.5581 -44.2695 85.4395 165.336 PRESSAVG: 220200 15.5893 27.4472 15.8987 27.4472 -77.3476 15.8925 15.8987 15.8926 26.3424 GPRESSAVG: 220200 15.089 26.457 14.9371 28.9506 -75.9711 15.9759 14.8113 14.9459 24.9314 TIMING: 220200 CPU: 640.195, 0.00290739/step Wall: 640.195, 0.00290739/step, 3.8602 hours remaining, 201.464844 MB of memory in use. ENERGY: 220200 758.2788 2063.0744 1958.1710 106.4407 -206314.7765 18018.6614 0.0000 0.0000 34342.5433 -149067.6071 299.9220 -183410.1503 -148966.6798 299.3368 22.9136 61.3051 557582.4749 -11.8053 -11.9836 LDB: ============= START OF LOAD BALANCING ============== 643.664 LDB: ============== END OF LOAD BALANCING =============== 643.664 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 643.665 LDB: ============= START OF LOAD BALANCING ============== 643.957 LDB: Largest compute 4820 load 0.029870 is 25.4% of average load 0.117504 LDB: Average compute 0.001741 is 1.5% of average load 0.117504 LDB: TIME 643.96 LOAD: AVG 0.117504 MAX 0.175518 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.477 MB LDB: TIME 643.96 LOAD: AVG 0.117504 MAX 0.175518 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.484 MB LDB: TIME 643.96 LOAD: AVG 0.117504 MAX 0.175518 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.484 MB LDB: ============== END OF LOAD BALANCING =============== 643.962 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 643.966 PRESSURE: 220400 -23.4632 113.327 -39.5459 113.326 -68.0664 55.4969 -39.5462 55.4962 155.335 GPRESSURE: 220400 -13.1408 153.817 -105.177 62.9542 15.3042 -20.171 -20.9616 34.0209 160.06 PRESSAVG: 220400 49.7901 32.7955 -16.8915 32.7954 -24.737 12.7285 -16.8916 12.7285 6.34723 GPRESSAVG: 220400 50.3592 32.6466 -15.9241 32.5095 -25.6327 12.4142 -16.8209 14.3529 6.85988 TIMING: 220400 CPU: 640.79, 0.00297725/step Wall: 640.79, 0.00297725/step, 3.9528 hours remaining, 201.906250 MB of memory in use. ENERGY: 220400 771.1839 2070.2637 1989.1254 119.8893 -206386.2495 18118.1771 0.0000 0.0000 34122.9721 -149194.6380 298.0044 -183317.6101 -149105.2818 299.6767 21.2685 54.0745 558754.3677 10.4668 10.5288 PRESSURE: 220600 -30.7673 -133.038 3.49041 -133.037 -45.3708 115.478 3.49066 115.479 -10.9009 GPRESSURE: 220600 41.3729 -93.2893 -65.0138 -169.056 -33.5229 178.452 139.605 23.1097 2.36728 PRESSAVG: 220600 32.2721 25.526 -60.9825 25.526 -43.5026 7.50045 -60.9826 7.50041 5.7782 GPRESSAVG: 220600 32.5348 25.2432 -59.7488 26.1606 -43.0031 8.8761 -60.3916 6.36766 5.11888 TIMING: 220600 CPU: 641.371, 0.00290188/step Wall: 641.371, 0.00290188/step, 3.85257 hours remaining, 202.273438 MB of memory in use. ENERGY: 220600 740.0442 2080.7502 1992.0209 112.3044 -206006.7590 17714.4050 0.0000 0.0000 34329.1309 -149038.1034 299.8048 -183367.2343 -148935.3130 299.4772 -29.0130 3.4057 558260.0309 -1.8175 -1.7831 PRESSURE: 220800 -107.532 20.8605 -21.0595 20.8609 -185.739 123.543 -21.0602 123.543 24.2917 GPRESSURE: 220800 -58.5432 117.513 -3.14952 8.6441 -134.286 20.5512 -59.8116 246.376 17.0787 PRESSAVG: 220800 23.4308 -24.4179 -30.5552 -24.4178 14.7561 -26.2432 -30.5552 -26.2432 18.0531 GPRESSAVG: 220800 22.6818 -24.4927 -31.3315 -23.4054 14.7106 -27.5341 -31.7515 -23.4397 19.1788 TIMING: 220800 CPU: 641.949, 0.00289057/step Wall: 641.949, 0.00289057/step, 3.83739 hours remaining, 202.273438 MB of memory in use. ENERGY: 220800 776.5454 2102.8340 1965.1471 98.8930 -206144.9767 17800.5955 0.0000 0.0000 34384.7841 -149016.1776 300.2909 -183400.9617 -148924.3116 299.6265 -89.6598 -58.5836 557809.0876 18.7467 18.8571 PRESSURE: 221000 -163.26 35.1733 155.148 35.1741 -218.464 -193.921 155.15 -193.921 -521.991 GPRESSURE: 221000 -108.172 64.3979 94.0452 -35.345 -161.07 -318.755 227.494 -55.6877 -519.75 PRESSAVG: 221000 -7.8698 11.3768 13.6675 11.3768 -3.0818 39.609 13.6675 39.609 -9.67742 GPRESSAVG: 221000 -6.83218 10.8127 12.4622 10.666 -2.88265 37.0544 13.7675 38.7296 -11.4771 TIMING: 221000 CPU: 642.524, 0.0028728/step Wall: 642.524, 0.0028728/step, 3.81364 hours remaining, 202.273438 MB of memory in use. ENERGY: 221000 774.3081 2150.1157 1977.4264 115.2116 -205684.8142 17355.2361 0.0000 0.0000 34209.5426 -149102.9737 298.7604 -183312.5163 -149000.9108 299.7835 -301.2384 -262.9972 558283.0070 -6.8763 -7.0640 PRESSURE: 221200 -41.24 -91.6778 13.3654 -91.6764 -72.6917 -76.2533 13.3658 -76.252 -231.499 GPRESSURE: 221200 -42.6113 -149.216 -46.6154 13.3897 -27.2047 -104.762 -12.3068 -70.9324 -183.097 PRESSAVG: 221200 -54.4588 11.2317 -32.69 11.2317 30.9983 -4.68684 -32.6901 -4.68681 35.4646 GPRESSAVG: 221200 -54.9078 14.2303 -32.1034 9.12013 30.4125 -3.51556 -32.0284 -4.77526 37.1469 TIMING: 221200 CPU: 643.103, 0.00289805/step Wall: 643.103, 0.00289805/step, 3.84701 hours remaining, 202.273438 MB of memory in use. ENERGY: 221200 766.0416 2082.2571 1996.0280 113.0204 -206008.6309 17634.8680 0.0000 0.0000 34241.0885 -149175.3273 299.0359 -183416.4158 -149086.1616 299.9557 -115.1437 -84.3044 557416.1626 4.0014 4.2172 PRESSURE: 221400 -104.263 93.5098 -4.07898 93.5099 -260.904 -26.451 -4.07932 -26.4519 -278.964 GPRESSURE: 221400 -2.49534 118.786 -66.921 21.0857 -260.779 42.3753 -45.2027 -19.176 -293.836 PRESSAVG: 221400 -34.1522 -28.5001 -56.1587 -28.5001 -4.5855 -41.8092 -56.1588 -41.8091 33.4236 GPRESSAVG: 221400 -35.7097 -29.9523 -55.052 -26.0932 -4.37522 -41.2292 -59.1717 -42.1158 34.2938 TIMING: 221400 CPU: 643.681, 0.00289006/step Wall: 643.681, 0.00289006/step, 3.83624 hours remaining, 202.273438 MB of memory in use. ENERGY: 221400 763.2255 2052.5268 2001.6756 117.9098 -206230.6082 17559.8698 0.0000 0.0000 34466.6153 -149268.7854 301.0055 -183735.4007 -149174.4430 299.6194 -214.7105 -185.7035 557447.2600 -1.7714 -1.9304 PRESSURE: 221600 99.6466 81.0898 -16.493 81.0895 -259.184 -116.624 -16.4914 -116.625 6.11197 GPRESSURE: 221600 95.1165 89.9299 -15.9958 -13.7519 -175.21 -108.119 61.4394 -88.3219 21.6096 PRESSAVG: 221600 53.4705 -23.3806 -1.8446 -23.3806 -10.4466 -13.1033 -1.8445 -13.1034 11.731 GPRESSAVG: 221600 54.5314 -24.5827 -2.34864 -23.0906 -11.0145 -13.1391 1.12426 -13.4113 10.6476 TIMING: 221600 CPU: 644.263, 0.00291017/step Wall: 644.263, 0.00291017/step, 3.86277 hours remaining, 202.273438 MB of memory in use. ENERGY: 221600 764.9534 2058.1577 1946.9087 125.2750 -206203.5874 17890.0773 0.0000 0.0000 34113.9814 -149304.2338 297.9259 -183418.2152 -149205.7499 298.8376 -51.1418 -19.4946 558147.0772 18.2516 18.0548 PRESSURE: 221800 -278.14 53.1522 -38.9857 53.1511 -345.195 112.832 -38.986 112.832 -92.9891 GPRESSURE: 221800 -277.337 48.6886 -19.9629 55.6958 -302.841 59.1856 -131.08 76.501 -50.0999 PRESSAVG: 221800 -10.2306 3.68917 13.5025 3.68919 24.5258 -13.5945 13.5025 -13.5943 -17.1888 GPRESSAVG: 221800 -10.7898 5.49972 13.4996 2.35227 24.9238 -11.9251 13.1513 -14.2875 -16.7622 TIMING: 221800 CPU: 644.841, 0.00288691/step Wall: 644.841, 0.00288691/step, 3.83173 hours remaining, 202.273438 MB of memory in use. ENERGY: 221800 720.1553 2052.7329 1954.8312 112.2899 -206015.5991 17512.0325 0.0000 0.0000 34186.5433 -149477.0139 298.5596 -183663.5572 -149384.1300 298.4598 -238.7749 -210.0929 557965.3224 -0.9645 -0.8761 PRESSURE: 222000 4.40895 -0.851767 29.1469 -0.852004 -99.7146 176.233 29.1468 176.231 -130.856 GPRESSURE: 222000 32.5765 -37.8785 22.0026 36.5744 -66.1631 251.48 -3.78495 106.113 -108.763 PRESSAVG: 222000 -46.0201 -6.41124 -33.0663 -6.41122 17.1584 -0.188631 -33.0664 -0.188575 67.7626 GPRESSAVG: 222000 -45.2866 -6.12578 -31.4148 -5.46751 16.6739 0.232897 -34.0958 -1.89559 68.1299 TIMING: 222000 CPU: 645.419, 0.00289087/step Wall: 645.419, 0.00289087/step, 3.83682 hours remaining, 202.273438 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: 222000 707.7655 2001.6203 1976.9616 125.1864 -206451.8770 17640.2594 0.0000 0.0000 34425.5351 -149574.5488 300.6468 -184000.0839 -149472.6861 298.7894 -75.3871 -47.4497 557462.2010 12.9670 13.1724 PRESSURE: 222200 -94.5354 -33.7173 -25.7872 -33.7165 23.2042 -105.25 -25.7876 -105.251 -139.608 GPRESSURE: 222200 -6.22196 -31.5669 -18.4386 -24.779 13.6129 -148.577 -64.2003 -76.4241 -115.165 PRESSAVG: 222200 41.933 -12.9034 12.0928 -12.9034 -12.0842 32.1466 12.0929 32.1466 -31.3937 GPRESSAVG: 222200 41.6423 -14.8436 11.8491 -11.8946 -11.3987 30.1863 13.3176 34.0949 -31.6133 TIMING: 222200 CPU: 646.002, 0.00291822/step Wall: 646.002, 0.00291822/step, 3.87296 hours remaining, 202.273438 MB of memory in use. ENERGY: 222200 746.2624 2068.7815 1971.0272 120.5033 -206238.4690 17765.0288 0.0000 0.0000 34141.9744 -149424.8914 298.1704 -183566.8658 -149330.4772 298.2933 -70.3131 -35.9247 557393.9413 -0.5150 -0.4566 PRESSURE: 222400 244.185 -145.153 62.1322 -145.153 94.4075 -158.494 62.1312 -158.493 416.165 GPRESSURE: 222400 198.621 -145.922 89.7504 -125.728 185.308 -113.035 53.493 -135.213 467.759 PRESSAVG: 222400 -60.2028 -60.7337 -4.26632 -60.7337 63.248 -35.0585 -4.26637 -35.0586 -20.1371 GPRESSAVG: 222400 -61.1193 -59.3035 -3.91246 -61.0126 63.1576 -33.2184 -2.98956 -34.2921 -19.0624 TIMING: 222400 CPU: 646.584, 0.00290772/step Wall: 646.584, 0.00290772/step, 3.85887 hours remaining, 202.273438 MB of memory in use. ENERGY: 222400 740.5067 2081.2497 1965.0862 124.0255 -206635.3551 18272.3637 0.0000 0.0000 33999.3068 -149452.8165 296.9244 -183452.1233 -149356.5455 298.4166 251.5860 283.8959 556962.3897 -5.6973 -5.6747 PRESSURE: 222600 -120.99 -24.7749 5.43607 -24.7743 -26.2743 41.5678 5.43497 41.5669 -54.5788 GPRESSURE: 222600 -70.7635 16.3404 43.8049 -89.575 4.66224 -23.9947 30.92 51.6349 -47.8686 PRESSAVG: 222600 -6.48142 -54.2707 45.2927 -54.2707 10.0185 -27.1431 45.2927 -27.1432 -21.3799 GPRESSAVG: 222600 -6.41439 -54.3129 42.5452 -52.661 9.88425 -28.6453 44.555 -28.1928 -20.9667 TIMING: 222600 CPU: 647.171, 0.00293347/step Wall: 647.171, 0.00293347/step, 3.89287 hours remaining, 202.273438 MB of memory in use. ENERGY: 222600 687.2254 2073.0001 1972.3167 108.0868 -206005.9868 17522.0845 0.0000 0.0000 34250.1565 -149393.1168 299.1151 -183643.2733 -149295.1073 298.1541 -67.2811 -37.9900 557999.8907 -5.9476 -5.8323 PRESSURE: 222800 -156.649 -66.3373 -218.127 -66.3361 -97.3347 124.96 -218.127 124.959 -74.1819 GPRESSURE: 222800 -105.302 -80.8693 -318.212 29.13 -90.7891 126.828 -179.46 114.776 -44.6627 PRESSAVG: 222800 31.2037 -31.0569 1.55612 -31.057 47.372 -13.7381 1.55609 -13.738 -27.583 GPRESSAVG: 222800 31.4272 -30.8187 3.70164 -32.8127 46.5355 -14.533 2.45472 -14.2728 -27.0634 TIMING: 222800 CPU: 647.751, 0.00290084/step Wall: 647.751, 0.00290084/step, 3.84942 hours remaining, 202.273438 MB of memory in use. ENERGY: 222800 735.1527 2094.5985 1978.0136 129.7383 -206141.4367 17701.3990 0.0000 0.0000 34175.3317 -149327.2030 298.4617 -183502.5347 -149228.7265 298.5072 -109.3886 -80.2511 558616.7038 16.9976 16.9664 PRESSURE: 223000 183.411 -47.8137 -80.49 -47.8129 14.4512 -26.5747 -80.4897 -26.5771 -137.045 GPRESSURE: 223000 210.696 -23.7127 -71.2542 -133.837 81.8822 55.9648 -65.3301 -57.5539 -133.148 PRESSAVG: 223000 55.5541 12.4403 -20.0276 12.4403 -58.7855 -26.0405 -20.0276 -26.0406 -18.9692 GPRESSAVG: 223000 56.7509 13.0623 -19.7499 12.0475 -59.2363 -26.2483 -19.998 -25.1477 -19.3549 TIMING: 223000 CPU: 648.331, 0.00290347/step Wall: 648.331, 0.00290347/step, 3.85275 hours remaining, 202.273438 MB of memory in use. ENERGY: 223000 756.3817 2131.6681 1999.9336 123.7877 -206352.1466 17969.8804 0.0000 0.0000 34004.2368 -149366.2585 296.9675 -183370.4953 -149273.9370 298.3974 20.2723 53.1433 557194.5023 -7.4002 -7.2801 PRESSURE: 223200 -369.931 -80.0933 30.524 -80.0939 -121.905 -162.249 30.5236 -162.247 28.0004 GPRESSURE: 223200 -346.614 -34.5012 -95.7428 -108.837 -104.053 -51.2192 105.594 -140.062 68.3629 PRESSAVG: 223200 48.1565 41.5952 19.6746 41.5952 -14.6114 -31.4 19.6746 -31.4001 -21.57 GPRESSAVG: 223200 47.6507 41.2629 19.257 43.0521 -14.4201 -29.6926 20.5049 -31.6536 -21.2843 TIMING: 223200 CPU: 648.906, 0.00287471/step Wall: 648.906, 0.00287471/step, 3.81442 hours remaining, 202.273438 MB of memory in use. ENERGY: 223200 757.7945 2015.2213 1993.9729 125.5049 -205938.4758 17598.4006 0.0000 0.0000 34114.6907 -149332.8909 297.9321 -183447.5816 -149244.3018 299.0492 -154.6117 -127.4346 556774.6518 3.9917 3.9821 PRESSURE: 223400 73.3772 -128.533 -44.2936 -128.533 109.198 87.0921 -44.293 87.0928 188.462 GPRESSURE: 223400 118.38 -210.098 -48.46 -93.3135 141.44 21.5979 -63.5855 99.5257 211.488 PRESSAVG: 223400 74.5907 -18.1121 52.2504 -18.1122 -15.4427 49.5472 52.2504 49.5471 -23.2502 GPRESSAVG: 223400 74.7808 -19.2112 52.6903 -20.3767 -14.7432 47.4596 53.7844 49.241 -24.0271 TIMING: 223400 CPU: 649.485, 0.00289097/step Wall: 649.485, 0.00289097/step, 3.83584 hours remaining, 202.273438 MB of memory in use. ENERGY: 223400 702.7120 2077.2150 1987.6776 105.9130 -206830.1735 18162.7087 0.0000 0.0000 34142.7481 -149651.1990 298.1771 -183793.9471 -149558.1702 298.3317 123.6790 157.1025 555870.4690 11.9659 12.0035 PRESSURE: 223600 15.5705 -218.038 -43.4347 -218.04 78.5414 -35.2735 -43.4355 -35.2726 -132.959 GPRESSURE: 223600 74.1322 -169.603 -101.705 -269.282 71.7495 30.4961 -68.7332 -70.4005 -92.2893 PRESSAVG: 223600 17.8698 24.2985 17.222 24.2985 -17.2358 -5.20061 17.2219 -5.20071 7.99215 GPRESSAVG: 223600 16.956 25.8702 17.1003 24.4584 -15.9986 -6.34812 15.2608 -2.36106 7.6775 TIMING: 223600 CPU: 650.066, 0.00290771/step Wall: 650.066, 0.00290771/step, 3.85789 hours remaining, 202.273438 MB of memory in use. ENERGY: 223600 733.5980 2030.4316 1957.4278 117.8297 -206363.0766 17798.3409 0.0000 0.0000 34102.9349 -149622.5139 297.8294 -183725.4487 -149526.4209 297.6169 -12.9489 17.8641 556065.8539 2.8754 2.8783 PRESSURE: 223800 -177.956 88.7998 6.27151 88.7996 -86.6817 -105.544 6.27036 -105.544 -248.094 GPRESSURE: 223800 -132.222 90.2664 51.6463 72.4869 -62.0983 -86.8039 -102.693 -191.988 -208.238 PRESSAVG: 223800 -18.9182 3.09592 -36.8615 3.0959 36.5715 -26.0815 -36.8615 -26.0815 23.929 GPRESSAVG: 223800 -18.0067 1.3662 -36.6634 3.66229 35.3984 -24.4836 -37.6423 -28.2962 24.7709 TIMING: 223800 CPU: 650.647, 0.00290467/step Wall: 650.647, 0.00290467/step, 3.85369 hours remaining, 202.273438 MB of memory in use. ENERGY: 223800 750.7151 2034.1135 1951.6405 119.0453 -206688.7974 17811.7072 0.0000 0.0000 34370.6741 -149650.9016 300.1676 -184021.5756 -149556.2917 298.4398 -170.9105 -134.1863 557016.5949 13.8608 14.0542 PRESSURE: 224000 -319.362 -83.0011 -13.3536 -83.001 -262.577 -94.6055 -13.3539 -94.6038 -279.47 GPRESSURE: 224000 -279.644 -18.8895 57.9643 -122.051 -281.522 -55.9529 -28.1426 -135.889 -211.133 PRESSAVG: 224000 23.2533 18.3591 16.4778 18.3591 -20.9639 -20.3548 16.4777 -20.3547 14.401 GPRESSAVG: 224000 23.6105 20.7592 14.2001 19.1834 -22.6467 -19.6072 18.8562 -19.2881 15.5836 TIMING: 224000 CPU: 651.23, 0.0029142/step Wall: 651.23, 0.0029142/step, 3.86617 hours remaining, 202.273438 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: 224000 731.6670 2015.1018 1950.2436 109.8580 -205487.8450 17237.9626 0.0000 0.0000 33867.6288 -149575.3834 295.7744 -183443.0121 -149481.3261 297.8887 -287.1360 -257.4329 557691.6536 5.5635 5.5158 PRESSURE: 224200 -55.1851 -47.9696 -78.2277 -47.972 -10.3701 -20.4404 -78.2283 -20.4413 -69.5752 GPRESSURE: 224200 -28.5997 -71.9636 -48.9516 -64.2368 23.7323 -34.812 -1.7604 -71.1385 -42.89 PRESSAVG: 224200 -1.41001 22.3487 38.1469 22.3486 -41.6179 -59.093 38.147 -59.093 32.7558 GPRESSAVG: 224200 -2.13908 20.2522 38.3076 22.1355 -39.9855 -58.0254 39.7084 -60.5845 31.6444 TIMING: 224200 CPU: 651.808, 0.00289024/step Wall: 651.808, 0.00289024/step, 3.83423 hours remaining, 202.273438 MB of memory in use. ENERGY: 224200 711.6043 2099.9932 1954.0360 104.0384 -205987.9950 17633.1277 0.0000 0.0000 34122.4664 -149362.7290 298.0000 -183485.1955 -149272.3633 297.9211 -45.0435 -15.9191 558162.1124 -3.4240 -3.4934 LDB: ============= START OF LOAD BALANCING ============== 655.275 LDB: ============== END OF LOAD BALANCING =============== 655.275 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 655.277 LDB: ============= START OF LOAD BALANCING ============== 655.568 LDB: Largest compute 4820 load 0.029590 is 25.2% of average load 0.117344 LDB: Average compute 0.001737 is 1.5% of average load 0.117344 LDB: TIME 655.571 LOAD: AVG 0.117344 MAX 0.176322 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.906 MB LDB: TIME 655.571 LOAD: AVG 0.117344 MAX 0.176322 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.969 MB LDB: TIME 655.571 LOAD: AVG 0.117344 MAX 0.176322 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 655.573 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 655.577 PRESSURE: 224400 -204.694 134.951 151.606 134.95 123.498 -2.86392 151.606 -2.86451 209.066 GPRESSURE: 224400 -182.994 94.3453 182.316 135.531 183.935 -7.44307 106.321 -0.730474 224.213 PRESSAVG: 224400 42.8669 -4.87217 -10.9802 -4.87218 -72.4051 -18.4465 -10.9802 -18.4465 17.924 GPRESSAVG: 224400 43.2135 -4.65847 -9.6238 -5.79097 -72.2704 -20.4648 -12.4236 -17.8485 17.8677 TIMING: 224400 CPU: 652.402, 0.00296878/step Wall: 652.402, 0.00296878/step, 3.93825 hours remaining, 201.664062 MB of memory in use. ENERGY: 224400 748.3536 2087.0645 1943.7249 108.9356 -206304.0520 17742.6817 0.0000 0.0000 34197.7180 -149475.5737 298.6572 -183673.2917 -149385.5304 298.4489 42.6234 75.0512 556092.4417 -3.8714 -3.7297 PRESSURE: 224600 0.459921 81.6019 -35.0661 81.6034 -160.741 -0.0212843 -35.066 -0.0213829 6.31165 GPRESSURE: 224600 53.6474 138.894 -41.2178 19.7892 -145.454 68.1224 -17.0328 30.7248 36.8071 PRESSAVG: 224600 -5.46489 26.6814 32.3299 26.6813 -62.8496 18.032 32.33 18.0319 78.2771 GPRESSAVG: 224600 -6.44837 27.804 34.7445 27.2892 -63.0783 18.4682 29.4161 17.0693 78.919 TIMING: 224600 CPU: 652.988, 0.00292932/step Wall: 652.988, 0.00292932/step, 3.88574 hours remaining, 201.867188 MB of memory in use. ENERGY: 224600 728.7409 2023.3370 1941.5530 104.3665 -206270.8990 17854.1192 0.0000 0.0000 34169.0655 -149449.7167 298.4069 -183618.7822 -149347.3914 297.7464 -51.3232 -18.3333 557449.3830 3.3208 3.1308 PRESSURE: 224800 -224.56 33.2553 -92.2964 33.2549 -74.8684 57.4121 -92.2958 57.4123 202.318 GPRESSURE: 224800 -229.497 90.4727 -124.945 -21.5281 -20.9727 133.23 -104.76 72.3301 232.924 PRESSAVG: 224800 31.0574 8.72083 30.194 8.72095 4.95592 -36.0142 30.1941 -36.0142 7.93328 GPRESSAVG: 224800 30.9896 5.74598 30.0014 8.97873 4.82539 -36.0025 29.8143 -36.0159 8.09591 TIMING: 224800 CPU: 653.571, 0.00291766/step Wall: 653.571, 0.00291766/step, 3.87012 hours remaining, 201.867188 MB of memory in use. ENERGY: 224800 775.2374 2000.9115 1953.2274 110.0228 -206165.2031 17813.3877 0.0000 0.0000 34219.1703 -149293.2461 298.8445 -183512.4163 -149195.5831 298.8408 -32.3703 -5.8486 558644.0687 14.6489 14.6370 PRESSURE: 225000 16.7374 -190.738 55.03 -190.738 109.955 -9.19891 55.0299 -9.19936 352.873 GPRESSURE: 225000 38.8928 -97.854 35.3147 -216.103 123.917 -28.5005 17.5821 -7.98478 405.037 PRESSAVG: 225000 70.1608 -25.4237 20.8053 -25.4237 -98.6725 -8.35055 20.8053 -8.35059 60.6029 GPRESSAVG: 225000 70.4988 -23.2054 19.2831 -25.7462 -99.2074 -10.4376 21.8615 -7.57949 60.7781 TIMING: 225000 CPU: 654.16, 0.0029437/step Wall: 654.16, 0.0029437/step, 3.9045 hours remaining, 201.867188 MB of memory in use. ENERGY: 225000 721.4861 2115.4962 1955.1492 119.2194 -206303.3829 18015.1182 0.0000 0.0000 34272.7957 -149104.1181 299.3128 -183376.9138 -149007.5862 299.1017 159.8554 189.2823 556758.9373 10.6971 10.6898 PRESSURE: 225200 13.8975 13.6999 -48.8309 13.7 -33.6793 72.1335 -48.8311 72.1336 -120.383 GPRESSURE: 225200 48.9205 -58.0215 -59.8009 -13.3654 -27.438 30.868 -50.1393 72.2358 -55.69 PRESSAVG: 225200 -43.3559 -17.8593 50.1074 -17.8594 17.2679 -55.2003 50.1075 -55.2003 33.6969 GPRESSAVG: 225200 -43.0763 -20.1551 50.4944 -18.0819 17.6178 -53.4529 52.4593 -55.1126 33.6311 TIMING: 225200 CPU: 654.742, 0.0029126/step Wall: 654.742, 0.0029126/step, 3.86308 hours remaining, 201.867188 MB of memory in use. ENERGY: 225200 743.2885 2045.3044 1973.7943 106.9634 -205904.6878 17642.2168 0.0000 0.0000 34376.8289 -149016.2915 300.2214 -183393.1204 -148920.5391 299.5645 -46.7215 -11.4025 557480.8055 2.5363 2.7242 PRESSURE: 225400 -55.9121 98.0181 -27.8052 98.0166 11.6284 -32.8812 -27.8039 -32.8809 50.0061 GPRESSURE: 225400 -46.7513 82.7739 -83.9363 169.472 61.2563 -84.506 -10.6456 -3.06982 85.7771 PRESSAVG: 225400 -28.5622 -21.5887 41.4586 -21.5886 33.7485 10.1648 41.4584 10.1647 -13.5448 GPRESSAVG: 225400 -28.6036 -21.0537 41.3433 -22.871 33.8203 10.2887 39.3775 9.532 -13.0696 TIMING: 225400 CPU: 655.328, 0.00292765/step Wall: 655.328, 0.00292765/step, 3.88287 hours remaining, 201.867188 MB of memory in use. ENERGY: 225400 720.3606 2189.7849 1981.3415 122.0136 -206190.0271 17697.6386 0.0000 0.0000 34490.8431 -148988.0449 301.2171 -183478.8880 -148893.5586 300.0844 1.9075 33.4274 556694.5604 -2.7861 -2.6176 PRESSURE: 225600 -10.0783 56.1708 69.8704 56.1707 253.921 37.4841 69.8713 37.4849 -83.9371 GPRESSURE: 225600 37.5554 127.74 95.371 43.3587 261.526 35.5811 40.8199 52.5742 -48.6268 PRESSAVG: 225600 4.61519 24.0139 26.4988 24.0138 30.7799 51.6536 26.4989 51.6536 -36.3176 GPRESSAVG: 225600 5.80838 25.2839 24.8061 25.3933 30.7218 51.2056 28.1347 51.6969 -37.9078 TIMING: 225600 CPU: 655.916, 0.00294161/step Wall: 655.916, 0.00294161/step, 3.90123 hours remaining, 201.867188 MB of memory in use. ENERGY: 225600 750.1885 2136.9443 2029.5714 107.3973 -205913.9899 17880.7487 0.0000 0.0000 34115.9467 -148893.1931 297.9430 -183009.1397 -148797.9557 300.4342 53.3020 83.4850 558877.5833 -0.3075 -0.4592 PRESSURE: 225800 15.5462 105.619 -98.1767 105.619 193.198 43.1024 -98.1772 43.1032 -112.122 GPRESSURE: 225800 41.5073 112.06 -48.6271 1.31889 224.694 66.601 -113.247 84.7269 -66.232 PRESSAVG: 225800 -21.5368 25.5429 -16.1792 25.5428 60.889 50.1593 -16.1793 50.1594 -68.3125 GPRESSAVG: 225800 -22.2107 26.5776 -13.1429 22.5859 60.4935 49.3236 -18.3049 50.1995 -66.8938 TIMING: 225800 CPU: 656.508, 0.00295898/step Wall: 656.508, 0.00295898/step, 3.92411 hours remaining, 201.867188 MB of memory in use. ENERGY: 225800 728.3474 2073.5805 1996.0504 121.8790 -206023.3240 17735.9646 0.0000 0.0000 34454.9330 -148912.5690 300.9035 -183367.5020 -148819.1595 300.0906 32.2077 66.6566 556205.0854 -9.6534 -9.5370 PRESSURE: 226000 -173.914 -4.09713 4.04047 -4.09651 -87.0548 153.004 4.04011 153.003 -227.087 GPRESSURE: 226000 -91.859 -107.172 -36.5936 101.648 -122.4 174.691 21.1151 108.576 -169.577 PRESSAVG: 226000 -53.9044 13.6661 -8.5919 13.666 30.9039 3.9292 -8.59195 3.92923 44.2039 GPRESSAVG: 226000 -53.0939 11.2467 -9.69622 16.2579 31.3996 4.84807 -7.13974 4.44032 43.4964 TIMING: 226000 CPU: 657.092, 0.00291746/step Wall: 657.092, 0.00291746/step, 3.86888 hours remaining, 201.867188 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: 226000 766.3828 2139.5846 1992.2189 120.8678 -205979.7599 17636.4683 0.0000 0.0000 34296.7670 -149027.4704 299.5222 -183324.2374 -148937.1054 300.2943 -162.6854 -127.9455 558270.0535 7.0678 7.2674 PRESSURE: 226200 -136.01 -105.007 -126.213 -105.008 -496.764 79.5819 -126.213 79.5802 33.0973 GPRESSURE: 226200 -110.895 -131.838 -69.0906 -36.4076 -436.579 44.4484 -127.781 84.1853 30.5213 PRESSAVG: 226200 0.796428 30.6103 -33.784 30.6103 -2.12942 29.5193 -33.784 29.5192 14.1493 GPRESSAVG: 226200 1.2254 32.8757 -32.3319 30.2155 -2.03286 28.3911 -33.8038 27.4549 13.5607 TIMING: 226200 CPU: 657.676, 0.00292405/step Wall: 657.676, 0.00292405/step, 3.87745 hours remaining, 201.867188 MB of memory in use. ENERGY: 226200 753.1408 2108.3352 2003.3510 116.9515 -205823.6730 17407.8049 0.0000 0.0000 34501.9518 -148932.1377 301.3141 -183434.0895 -148837.9618 300.0219 -199.8921 -172.3174 557398.2625 4.2721 4.2511 PRESSURE: 226400 60.4555 -10.6888 -94.341 -10.6897 149.583 -68.3515 -94.3377 -68.3517 -130.894 GPRESSURE: 226400 88.603 18.612 -115.673 -128.241 138.339 -102.078 -64.4923 -20.762 -38.529 PRESSAVG: 226400 32.5417 -45.6516 -2.88549 -45.6516 -47.4957 -22.3125 -2.88546 -22.3125 16.5075 GPRESSAVG: 226400 32.3367 -47.0728 -5.81153 -45.8405 -47.2497 -20.3172 0.0408609 -21.5161 16.5923 TIMING: 226400 CPU: 658.257, 0.00290345/step Wall: 658.257, 0.00290345/step, 3.84997 hours remaining, 201.867188 MB of memory in use. ENERGY: 226400 730.0506 2112.7423 1987.5254 118.8647 -206268.0034 17889.4142 0.0000 0.0000 34570.4603 -148858.9460 301.9124 -183429.4062 -148760.0066 300.0948 26.3817 62.8045 557529.4299 0.5178 0.5598 PRESSURE: 226600 -17.1551 88.0322 1.02486 88.0311 189.598 -62.1438 1.02459 -62.1436 -121.809 GPRESSURE: 226600 47.4296 85.3985 -51.4633 43.4124 176.61 -51.3484 -3.66244 -12.1928 -74.7401 PRESSAVG: 226600 -19.178 -58.67 4.18576 -58.67 27.0028 -33.4663 4.18578 -33.4664 22.7749 GPRESSAVG: 226600 -19.291 -58.2416 3.19592 -58.2569 26.4983 -35.241 2.68209 -32.9211 23.5844 TIMING: 226600 CPU: 658.844, 0.00293557/step Wall: 658.844, 0.00293557/step, 3.8924 hours remaining, 201.867188 MB of memory in use. ENERGY: 226600 752.3649 2076.2846 1978.7528 125.5423 -205804.5773 17651.1831 0.0000 0.0000 34385.8466 -148834.6029 300.3002 -183220.4495 -148736.5207 300.3338 16.8777 49.7665 557147.6197 10.1999 10.2639 PRESSURE: 226800 -312.533 -41.4092 332.809 -41.4101 -86.902 -21.9875 332.808 -21.9885 3.69677 GPRESSURE: 226800 -230.618 -8.5614 230.038 5.6677 -62.0228 58.7776 352.909 -28.5009 -14.529 PRESSAVG: 226800 -100.187 -9.93859 1.16124 -9.9386 51.4977 -26.7979 1.16123 -26.7979 29.0849 GPRESSAVG: 226800 -99.5563 -9.51007 3.8595 -11.6771 51.67 -25.1114 -0.141029 -28.2364 28.2636 TIMING: 226800 CPU: 659.425, 0.00290621/step Wall: 659.425, 0.00290621/step, 3.85331 hours remaining, 201.867188 MB of memory in use. ENERGY: 226800 792.0536 2125.1053 1971.2335 112.6219 -205806.8958 17611.0760 0.0000 0.0000 34359.9208 -148834.8847 300.0737 -183194.8055 -148745.5159 300.2608 -131.9127 -102.3898 558653.3721 -6.5347 -6.5409 PRESSURE: 227000 194.12 107.247 -3.00728 107.246 27.5977 -142.199 -3.00679 -142.199 -319.825 GPRESSURE: 227000 256.465 176.28 -89.4904 141.245 -5.6415 -124.979 64.6844 -61.5589 -254.471 PRESSAVG: 227000 -60.091 -53.8328 58.5509 -53.8328 -12.4201 -4.01207 58.5509 -4.01213 54.5646 GPRESSAVG: 227000 -59.3458 -55.7114 58.0634 -51.8831 -12.0913 -4.13636 58.8851 -2.14647 53.8818 TIMING: 227000 CPU: 660.011, 0.00292796/step Wall: 660.011, 0.00292796/step, 3.88199 hours remaining, 201.867188 MB of memory in use. ENERGY: 227000 776.9591 2055.4497 1984.1948 114.7609 -205878.0468 17682.2357 0.0000 0.0000 34397.9090 -148866.5377 300.4055 -183264.4467 -148770.0252 299.8781 -32.7024 -1.2157 557338.6005 -5.9821 -5.8518 PRESSURE: 227200 95.644 73.7815 0.31387 73.7822 126.34 129.728 0.312454 129.727 -31.3245 GPRESSURE: 227200 137.646 4.00105 63.8124 95.2329 136.641 61.2938 48.0563 80.9822 5.17764 PRESSAVG: 227200 74.3833 -6.18682 -9.57657 -6.18689 -8.89015 33.8135 -9.57667 33.8136 22.418 GPRESSAVG: 227200 74.3773 -5.17517 -7.82832 -7.34844 -9.67401 30.6947 -8.96345 35.1776 23.6674 TIMING: 227200 CPU: 660.598, 0.00293524/step Wall: 660.598, 0.00293524/step, 3.89148 hours remaining, 201.867188 MB of memory in use. ENERGY: 227200 712.2476 2039.3094 1998.0051 115.5813 -205942.7666 17815.1436 0.0000 0.0000 34447.7659 -148814.7138 300.8409 -183262.4797 -148706.6196 300.3092 63.5531 93.1550 558084.9006 29.3037 29.4569 PRESSURE: 227400 9.00787 8.85575 36.1476 8.85548 51.2444 141.369 36.147 141.37 -172.145 GPRESSURE: 227400 -15.746 90.5859 -108.505 -89.9691 136.809 124.626 85.3308 73.0357 -135.485 PRESSAVG: 227400 -35.3847 41.1011 -14.7014 41.101 23.4154 40.1843 -14.7014 40.1844 36.8702 GPRESSAVG: 227400 -35.9994 40.9608 -15.3531 41.3807 23.6749 41.016 -15.6924 35.387 37.363 TIMING: 227400 CPU: 661.188, 0.00294995/step Wall: 661.188, 0.00294995/step, 3.91082 hours remaining, 201.867188 MB of memory in use. ENERGY: 227400 747.1235 2074.3481 1985.3333 116.7654 -205827.2961 17585.4780 0.0000 0.0000 34403.6659 -148914.5818 300.4558 -183318.2478 -148822.5882 299.9864 -37.2977 -4.8075 557336.7411 8.3003 8.3462 PRESSURE: 227600 -126.704 -56.9219 45.0923 -56.921 -184.118 44.4026 45.0928 44.4027 -63.5827 GPRESSURE: 227600 -147.898 -22.9393 118.127 -76.513 -95.814 -40.5684 21.804 99.4076 -49.0715 PRESSAVG: 227600 29.4184 12.996 -20.0405 12.996 -16.5531 -15.8977 -20.0405 -15.8977 30.2806 GPRESSAVG: 227600 29.4713 10.5063 -20.1255 14.2034 -16.1348 -13.9863 -20.4997 -13.1278 30.0982 TIMING: 227600 CPU: 661.776, 0.00294163/step Wall: 661.776, 0.00294163/step, 3.89962 hours remaining, 201.867188 MB of memory in use. ENERGY: 227600 733.7120 2075.9758 2014.4284 112.3807 -205452.3851 17386.2131 0.0000 0.0000 34312.3833 -148817.2919 299.6586 -183129.6752 -148718.0351 299.7775 -124.8017 -97.5944 558865.4037 14.3820 14.4782 PRESSURE: 227800 -48.0958 -25.3412 67.9416 -25.3415 103.374 -154.503 67.9415 -154.503 -129.358 GPRESSURE: 227800 -43.0672 13.0964 57.9115 77.8977 107.001 -42.3973 78.7046 -219.288 -43.2278 PRESSAVG: 227800 8.555 17.6367 16.6925 17.6367 45.4253 -16.1087 16.6926 -16.1088 -59.9665 GPRESSAVG: 227800 7.61477 20.4016 16.7312 17.1538 45.3554 -16.6316 16.7969 -17.6095 -58.8987 TIMING: 227800 CPU: 662.361, 0.00292546/step Wall: 662.361, 0.00292546/step, 3.87802 hours remaining, 201.867188 MB of memory in use. ENERGY: 227800 714.6693 2036.1488 2019.1081 115.4420 -205974.1628 17765.9779 0.0000 0.0000 34462.6905 -148860.1262 300.9712 -183322.8167 -148758.2871 299.9114 -24.6935 6.9021 559032.0263 -1.9954 -1.9762 PRESSURE: 228000 -247.41 229.005 16.4488 229.005 -365.264 34.7688 16.449 34.7716 -64.318 GPRESSURE: 228000 -148.058 217.487 -10.9635 136.665 -343.479 15.5249 53.8658 4.11757 -81.2578 PRESSAVG: 228000 -39.5609 37.933 -6.2003 37.933 43.9146 4.32999 -6.2003 4.32986 3.97323 GPRESSAVG: 228000 -39.4189 38.3644 -5.5867 39.007 44.7858 4.9478 -5.55455 4.94551 3.0093 TIMING: 228000 CPU: 662.941, 0.0028967/step Wall: 662.941, 0.0028967/step, 3.83974 hours remaining, 201.867188 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: 228000 716.5593 2053.1169 1981.7743 108.0216 -205692.6066 17383.6722 0.0000 0.0000 34174.4196 -149275.0426 298.4537 -183449.4623 -149175.8316 299.2649 -225.6642 -190.9317 557637.1286 2.7756 2.7921 PRESSURE: 228200 -226.62 -209.544 -19.5351 -209.544 -49.3348 -211.917 -19.5367 -211.918 -29.9572 GPRESSURE: 228200 -213.794 -219.928 -75.6544 -173.581 29.1164 -152.192 -21.3038 -144.49 -16.6905 PRESSAVG: 228200 12.7146 -46.1135 -9.2766 -46.1134 54.7729 -27.4215 -9.27658 -27.4214 -9.38938 GPRESSAVG: 228200 12.8465 -48.6637 -10.1152 -46.9011 54.7137 -28.1532 -7.54217 -26.952 -9.24674 TIMING: 228200 CPU: 663.518, 0.00288366/step Wall: 663.518, 0.00288366/step, 3.82229 hours remaining, 201.867188 MB of memory in use. ENERGY: 228200 729.1778 2038.6193 1994.9340 113.6602 -205866.3918 17613.6020 0.0000 0.0000 34211.0179 -149165.3807 298.7733 -183376.3986 -149070.3106 298.8499 -101.9705 -67.1228 557554.0589 19.3660 19.4378 LDB: ============= START OF LOAD BALANCING ============== 666.98 LDB: ============== END OF LOAD BALANCING =============== 666.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 666.981 LDB: ============= START OF LOAD BALANCING ============== 667.27 LDB: Largest compute 4820 load 0.029132 is 24.8% of average load 0.117509 LDB: Average compute 0.001731 is 1.5% of average load 0.117509 LDB: TIME 667.272 LOAD: AVG 0.117509 MAX 0.177889 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.621 MB LDB: TIME 667.273 LOAD: AVG 0.117509 MAX 0.177889 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.824 MB LDB: TIME 667.273 LOAD: AVG 0.117509 MAX 0.177889 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 667.275 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 667.279 PRESSURE: 228400 173.49 -13.2741 105.595 -13.2736 -48.7136 135.824 105.595 135.823 -194.404 GPRESSURE: 228400 218.358 -58.3589 114.896 33.2855 -1.20493 46.3665 61.9266 173.711 -183.984 PRESSAVG: 228400 -14.4331 -6.2393 37.3727 -6.23927 6.43487 -55.7108 37.3727 -55.711 17.5711 GPRESSAVG: 228400 -14.2488 -4.16439 39.1869 -8.0281 5.89568 -54.5855 34.7405 -56.8492 17.9194 TIMING: 228400 CPU: 664.103, 0.00292952/step Wall: 664.103, 0.00292952/step, 3.88292 hours remaining, 202.714844 MB of memory in use. ENERGY: 228400 741.1233 2097.0014 1989.3007 118.5927 -206010.3047 17718.3606 0.0000 0.0000 34206.8556 -149139.0704 298.7370 -183345.9260 -149049.9607 298.8313 -23.2091 11.0564 556241.8120 3.1910 3.1888 PRESSURE: 228600 50.8986 54.7847 -102.013 54.7859 -117.014 -77.3709 -102.013 -77.3702 -115.983 GPRESSURE: 228600 91.3171 68.2841 -155.341 28.8117 -108.81 -46.7924 -102.339 -87.2054 -59.4107 PRESSAVG: 228600 96.8002 -3.35678 16.9686 -3.35678 -10.886 -24.3002 16.9686 -24.3003 -99.9283 GPRESSAVG: 228600 96.2851 -4.1506 17.4715 -1.78546 -11.1434 -27.0315 17.5745 -23.3331 -99.1568 TIMING: 228600 CPU: 664.68, 0.00288272/step Wall: 664.68, 0.00288272/step, 3.82072 hours remaining, 203.042969 MB of memory in use. ENERGY: 228600 779.2871 2098.6729 1996.6207 117.9611 -206168.1395 17878.2776 0.0000 0.0000 34328.0699 -148969.2503 299.7956 -183297.3202 -148871.9715 299.9404 -60.6996 -25.6347 557642.9720 -4.6714 -4.6717 PRESSURE: 228800 7.67273 -55.4982 145.605 -55.4972 10.7101 -93.4096 145.605 -93.4104 -40.4756 GPRESSURE: 228800 81.2787 -79.6442 25.9135 -66.3941 2.1882 -36.1372 199.949 -159.563 -7.56439 PRESSAVG: 228800 -1.49983 1.95595 -9.24956 1.95592 -51.6379 -6.6624 -9.24959 -6.66239 40.7193 GPRESSAVG: 228800 -0.779616 2.14135 -12.0524 2.40602 -50.4342 -3.78021 -9.05618 -7.11629 38.8575 TIMING: 228800 CPU: 665.255, 0.00287313/step Wall: 665.255, 0.00287313/step, 3.80786 hours remaining, 203.042969 MB of memory in use. ENERGY: 228800 736.1718 2120.1729 1993.3969 109.6002 -206278.4796 17649.6350 0.0000 0.0000 34462.1876 -149207.3152 300.9669 -183669.5028 -149107.5257 299.5376 -7.3643 25.3008 555806.5834 -4.1395 -4.1188 PRESSURE: 229000 133.152 -180.789 129.697 -180.788 394.569 -8.31288 129.698 -8.31422 279.31 GPRESSURE: 229000 160.853 -178.37 41.1933 -203.498 465.561 -41.5021 215.321 -36.1057 273.675 PRESSAVG: 229000 3.76844 -85.8676 -6.80506 -85.8675 25.68 -66.2154 -6.80507 -66.2154 -19.2122 GPRESSAVG: 229000 3.56169 -83.3229 -6.29327 -88.335 24.6273 -66.9871 -5.88492 -66.0768 -18.4208 TIMING: 229000 CPU: 665.834, 0.00289566/step Wall: 665.834, 0.00289566/step, 3.83756 hours remaining, 203.042969 MB of memory in use. ENERGY: 229000 725.5844 2113.1798 1974.0201 116.0985 -206511.9366 18154.3071 0.0000 0.0000 34306.4135 -149122.3332 299.6064 -183428.7467 -149031.3444 299.2832 269.0105 300.0300 556002.6632 3.4121 3.2561 PRESSURE: 229200 203.609 133.752 -34.9894 133.753 166.335 81.6254 -34.9902 81.6267 92.7053 GPRESSURE: 229200 212.506 132.813 -9.17805 114.961 205.096 164.205 0.122664 30.0931 137.148 PRESSAVG: 229200 -51.5174 -46.6044 8.06526 -46.6044 -1.83282 -38.3382 8.06532 -38.3382 23.9155 GPRESSAVG: 229200 -51.7816 -48.7985 11.1074 -45.9249 -1.90045 -38.9852 5.21118 -36.4187 24.2398 TIMING: 229200 CPU: 666.412, 0.00289/step Wall: 666.412, 0.00289/step, 3.82989 hours remaining, 203.171875 MB of memory in use. ENERGY: 229200 700.4083 2132.4753 2016.0446 125.3048 -206461.2003 18059.5552 0.0000 0.0000 34211.6063 -149215.8059 298.7785 -183427.4121 -149119.4489 300.0068 154.2162 184.9167 558959.9471 -9.8116 -9.8141 PRESSURE: 229400 -248.449 -84.3588 -70.7999 -84.359 -80.2796 -174.318 -70.8006 -174.317 52.8167 GPRESSURE: 229400 -175.928 -35.8306 -0.028944 -84.8637 -14.0768 -175.574 -147.092 -159.427 15.5522 PRESSAVG: 229400 -41.0892 19.3142 -45.6603 19.3143 6.47036 -52.0395 -45.6604 -52.0395 4.62536 GPRESSAVG: 229400 -40.4057 20.4564 -47.3266 19.1764 6.10342 -52.2708 -44.3636 -51.4568 4.17161 TIMING: 229400 CPU: 666.992, 0.00290076/step Wall: 666.992, 0.00290076/step, 3.844 hours remaining, 203.171875 MB of memory in use. ENERGY: 229400 746.3658 2081.2892 1990.5260 115.4496 -205983.2296 17561.1966 0.0000 0.0000 34209.0219 -149279.3804 298.7559 -183488.4023 -149186.2754 298.6405 -91.9706 -58.1508 557035.5642 -9.9978 -10.0436 PRESSURE: 229600 -381.231 47.5849 -107.86 47.5849 -190.459 117.068 -107.859 117.07 -94.1386 GPRESSURE: 229600 -322.618 -47.8713 21.2244 114.665 -184.694 97.071 -88.3653 109.869 -61.5768 PRESSAVG: 229600 17.5977 -26.525 -36.9887 -26.5249 11.1871 -48.6707 -36.9886 -48.6706 9.60505 GPRESSAVG: 229600 17.3891 -29.7674 -36.7039 -25.0835 11.5721 -49.4802 -36.075 -49.1811 9.42984 TIMING: 229600 CPU: 667.571, 0.00289767/step Wall: 667.571, 0.00289767/step, 3.83973 hours remaining, 203.183594 MB of memory in use. ENERGY: 229600 749.2496 2106.3597 1984.8671 102.9945 -206320.3575 17742.7629 0.0000 0.0000 34305.7343 -149328.3894 299.6005 -183634.1237 -149237.7753 298.6646 -221.9428 -189.6295 558863.1174 12.7966 12.7970 PRESSURE: 229800 -45.5799 -152.708 39.689 -152.708 -3.65408 -156.813 39.689 -156.813 -56.1389 GPRESSURE: 229800 17.4112 -94.4101 103.213 -157.418 32.8268 -173.844 80.1414 -96.8528 -49.1215 PRESSAVG: 229800 65.8913 18.9469 -2.86724 18.9469 -62.1428 9.7699 -2.86722 9.7698 35.2042 GPRESSAVG: 229800 65.9516 18.3619 -4.43452 18.9482 -61.0795 10.3874 -3.0265 9.71008 34.7523 TIMING: 229800 CPU: 668.155, 0.00291721/step Wall: 668.155, 0.00291721/step, 3.86547 hours remaining, 203.183594 MB of memory in use. ENERGY: 229800 770.5625 2061.5404 1971.4456 104.0854 -206340.4764 17803.4042 0.0000 0.0000 34370.6069 -149258.8314 300.1671 -183629.4383 -149154.1331 298.8121 -35.1243 0.3722 558186.0234 12.9842 13.2081 PRESSURE: 230000 -41.15 -198.865 67.6881 -198.865 -149.109 8.74292 67.6886 8.74264 -302.917 GPRESSURE: 230000 -52.812 -200.619 157.523 -216.3 -150.888 -74.0917 63.0144 59.2092 -197.281 PRESSAVG: 230000 -20.0963 -23.2443 5.21087 -23.2443 22.2068 -4.14421 5.21087 -4.14437 -30.0441 GPRESSAVG: 230000 -19.664 -20.5357 7.1576 -24.7334 21.6415 -2.01355 4.30889 -5.13819 -29.9017 TIMING: 230000 CPU: 668.74, 0.00292409/step Wall: 668.74, 0.00292409/step, 3.87441 hours remaining, 203.183594 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: 230000 720.9290 2120.1609 1985.0371 114.7661 -206318.0662 17704.7822 0.0000 0.0000 34387.5811 -149284.8099 300.3153 -183672.3909 -149184.8973 298.5012 -164.3920 -133.6602 559193.8642 -9.3112 -9.3081 PRESSURE: 230200 138.061 -199.25 -86.8281 -199.249 239.608 40.3628 -86.829 40.361 -6.34394 GPRESSURE: 230200 124.454 -268.873 39.9856 -117.883 315.163 66.3172 -175.496 -0.389844 31.5097 PRESSAVG: 230200 72.8075 -10.8184 9.41896 -10.8183 -3.29 -21.5275 9.41891 -21.5276 1.2861 GPRESSAVG: 230200 71.8935 -9.57697 7.912 -10.0084 -3.18434 -21.8941 8.29741 -22.8731 1.56315 TIMING: 230200 CPU: 669.322, 0.00291204/step Wall: 669.322, 0.00291204/step, 3.85829 hours remaining, 203.183594 MB of memory in use. ENERGY: 230200 710.7548 2059.3526 2001.7188 116.1245 -206640.5344 18168.0507 0.0000 0.0000 34421.1729 -149163.3600 300.6087 -183584.5330 -149066.6246 299.5515 123.7753 157.0424 556680.3675 23.6012 23.4241 PRESSURE: 230400 -53.1905 -40.9241 -5.43088 -40.9252 10.0504 -25.2097 -5.43062 -25.2109 269.326 GPRESSURE: 230400 -25.0577 56.4472 21.2192 -67.3311 58.0947 -28.3793 0.365008 -53.4191 287.59 PRESSAVG: 230400 -23.7414 27.9834 3.073 27.9833 -25.4297 -36.348 3.07297 -36.348 65.8533 GPRESSAVG: 230400 -24.0745 26.5766 1.66997 27.622 -25.5798 -38.6905 5.0781 -33.6869 66.2783 TIMING: 230400 CPU: 669.905, 0.00291245/step Wall: 669.905, 0.00291245/step, 3.85867 hours remaining, 203.183594 MB of memory in use. ENERGY: 230400 750.3672 2131.7353 1984.1941 104.7451 -206249.6757 17820.6221 0.0000 0.0000 34372.7601 -149085.2519 300.1859 -183458.0119 -148997.5980 299.6914 75.3952 106.8756 556088.3999 5.5607 5.5413 PRESSURE: 230600 -198.616 -102.5 -10.4715 -102.5 -55.0997 5.94687 -10.4713 5.94538 72.9544 GPRESSURE: 230600 -157.57 -71.8853 22.0352 -41.7594 -60.814 -53.789 14.9112 30.8271 140.453 PRESSAVG: 230600 -29.1427 -23.6666 -8.73083 -23.6667 -16.7234 -20.4151 -8.73076 -20.4151 74.2551 GPRESSAVG: 230600 -28.9766 -22.9587 -7.78638 -23.8455 -16.7043 -19.4444 -8.52477 -21.4661 73.9902 TIMING: 230600 CPU: 670.485, 0.00290285/step Wall: 670.485, 0.00290285/step, 3.8458 hours remaining, 203.183594 MB of memory in use. ENERGY: 230600 739.6873 2064.5933 1997.5258 111.6426 -206127.0485 17585.5315 0.0000 0.0000 34397.3458 -149230.7222 300.4006 -183628.0680 -149126.1906 299.8169 -60.2537 -25.9767 556069.8839 9.4630 9.4364 PRESSURE: 230800 56.3575 -36.0832 242.314 -36.0843 47.0942 -32.5142 242.313 -32.5141 -104.187 GPRESSURE: 230800 101.619 -13.5964 253.628 -28.4287 34.9338 -39.3606 233.326 -34.466 -48.1548 PRESSAVG: 230800 -19.4588 38.3867 -27.5478 38.3867 59.1789 11.0179 -27.5478 11.0178 -49.2953 GPRESSAVG: 230800 -18.8658 36.6907 -25.3065 39.043 58.0372 10.1517 -28.24 11.1808 -48.4965 TIMING: 230800 CPU: 671.06, 0.00287378/step Wall: 671.06, 0.00287378/step, 3.80713 hours remaining, 203.183594 MB of memory in use. ENERGY: 230800 773.3835 2055.7444 1967.8687 121.6765 -206285.7841 18013.6646 0.0000 0.0000 34274.7818 -149078.6646 299.3302 -183353.4464 -148990.2428 299.0211 -0.2451 29.4659 557976.9312 -3.1917 -3.1084 PRESSURE: 231000 -181.201 -108.062 20.9927 -108.062 -157.039 18.6636 20.9934 18.6627 -45.0872 GPRESSURE: 231000 -134.08 -47.0668 -17.2609 -62.3919 -99.3832 61.6203 -23.5784 -29.2675 -50.331 PRESSAVG: 231000 44.7939 -18.9707 39.7286 -18.9707 -8.46665 -5.38968 39.7286 -5.38971 -9.59896 GPRESSAVG: 231000 44.1504 -18.1002 39.0335 -19.3195 -7.68418 -4.59945 40.0801 -4.36318 -10.1143 TIMING: 231000 CPU: 671.639, 0.00289683/step Wall: 671.639, 0.00289683/step, 3.83749 hours remaining, 203.183594 MB of memory in use. ENERGY: 231000 775.6310 2091.2663 1989.3993 114.0347 -206132.1278 17692.4795 0.0000 0.0000 34442.2430 -149027.0741 300.7927 -183469.3171 -148930.5809 299.7279 -127.7759 -94.5981 558788.0320 8.9094 8.7840 PRESSURE: 231200 198.902 -127.548 -10.2104 -127.549 138.794 38.2845 -10.2109 38.284 61.2451 GPRESSURE: 231200 172.939 -93.4293 -12.3248 -148.935 208.879 71.8017 -69.7193 -73.1171 115.055 PRESSAVG: 231200 -7.25313 -11.774 7.14402 -11.7739 -12.0092 -19.5693 7.14392 -19.5692 15.1271 GPRESSAVG: 231200 -7.42551 -13.1229 7.43238 -12.5104 -11.6516 -17.2299 5.71723 -22.2824 15.2879 TIMING: 231200 CPU: 672.217, 0.00288855/step Wall: 672.217, 0.00288855/step, 3.82637 hours remaining, 203.183594 MB of memory in use. ENERGY: 231200 748.2847 2163.3388 1994.3259 112.6174 -206166.7740 17970.8210 0.0000 0.0000 34143.3976 -149033.9886 298.1828 -183177.3862 -148935.3660 299.7905 132.9804 165.6243 558106.1975 -1.3784 -1.2631 PRESSURE: 231400 126.052 -93.1006 -18.3487 -93.1009 84.0884 -105.082 -18.3489 -105.085 106.696 GPRESSURE: 231400 154.809 -18.686 -46.6812 -59.1912 80.4528 -161.526 31.5243 -51.8455 173.58 PRESSAVG: 231400 -0.667186 2.12998 28.6368 2.13004 -29.5245 -15.5677 28.6368 -15.5676 34.3212 GPRESSAVG: 231400 -1.5778 3.48596 28.929 3.18965 -29.082 -15.8641 30.4015 -14.6915 34.9698 TIMING: 231400 CPU: 672.794, 0.0028846/step Wall: 672.794, 0.0028846/step, 3.82098 hours remaining, 203.183594 MB of memory in use. ENERGY: 231400 766.2046 2170.6197 1954.9657 110.1711 -206742.7332 18078.3308 0.0000 0.0000 34407.3861 -149255.0553 300.4883 -183662.4413 -149159.8729 299.0775 105.6122 136.2806 556902.1878 1.3765 1.4367 PRESSURE: 231600 41.7132 -79.2414 -67.5912 -79.2416 -19.2036 -150.939 -67.5916 -150.939 -146.142 GPRESSURE: 231600 64.5828 -108.848 -37.6425 -62.656 22.51 -156.072 -93.4731 -97.429 -130.043 PRESSAVG: 231600 -50.26 29.2407 15.813 29.2408 44.6828 -74.8426 15.813 -74.8426 -16.2492 GPRESSAVG: 231600 -48.7249 27.1379 13.6248 30.994 43.6732 -76.6312 16.0417 -72.5844 -16.7863 TIMING: 231600 CPU: 673.375, 0.00290508/step Wall: 673.375, 0.00290508/step, 3.84794 hours remaining, 203.183594 MB of memory in use. ENERGY: 231600 775.0870 2091.7955 1990.5944 109.1641 -206480.8905 17955.5913 0.0000 0.0000 34306.7356 -149251.9226 299.6093 -183558.6582 -149161.4026 299.0683 -41.2108 -14.3166 556470.4441 -7.2755 -7.2793 PRESSURE: 231800 -185.045 53.0288 11.7529 53.0281 75.0034 -281.772 11.7531 -281.771 -7.4907 GPRESSURE: 231800 -134.452 -8.52991 10.628 82.2643 100.478 -289.891 16.2761 -258.822 32.9184 PRESSAVG: 231800 7.04884 -3.35127 -8.29761 -3.35119 -24.3837 -14.5432 -8.29758 -14.5433 4.23695 GPRESSAVG: 231800 5.45257 -2.58419 -8.36062 -5.19905 -24.2584 -11.2795 -7.6142 -15.6376 5.68481 TIMING: 231800 CPU: 673.955, 0.00289927/step Wall: 673.955, 0.00289927/step, 3.84008 hours remaining, 203.183594 MB of memory in use. ENERGY: 231800 719.8390 2124.7065 1992.9116 121.8293 -205862.1067 17710.3127 0.0000 0.0000 34004.0685 -149188.4392 296.9660 -183192.5077 -149093.8635 298.9259 -39.1773 -0.3517 557752.0499 -4.3660 -4.3737 PRESSURE: 232000 -8.2382 136.502 -181.265 136.502 -102.092 -4.16614 -181.264 -4.16593 12.2922 GPRESSURE: 232000 -18.0267 67.8705 -191.413 99.6849 -37.8845 -81.3878 -124.308 99.566 67.6618 PRESSAVG: 232000 36.0027 -3.23936 -25.6662 -3.23951 11.981 -86.0533 -25.6661 -86.0532 -44.5014 GPRESSAVG: 232000 38.2498 -2.36611 -22.7689 -2.9245 11.1639 -87.5779 -27.6403 -87.2454 -45.673 TIMING: 232000 CPU: 674.535, 0.00290009/step Wall: 674.535, 0.00290009/step, 3.84101 hours remaining, 203.183594 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: 232000 746.1205 2155.4797 1965.7392 113.1071 -206137.6963 17680.3262 0.0000 0.0000 34188.8005 -149288.1231 298.5793 -183476.9236 -149187.9643 298.2943 -32.6792 3.9169 555068.9041 1.1607 1.2469 PRESSURE: 232200 -141.713 74.2373 -7.37436 74.2373 -29.074 13.6418 -7.3741 13.6433 -170.431 GPRESSURE: 232200 -123.376 44.2052 68.3461 94.9348 -31.1537 -12.4317 -50.0638 -35.0435 -104.695 PRESSAVG: 232200 -54.9495 23.0248 20.9904 23.0249 6.43441 -32.326 20.9904 -32.3259 30.2326 GPRESSAVG: 232200 -56.133 22.3513 20.3732 23.653 7.89749 -34.3867 22.7699 -30.6878 30.0123 TIMING: 232200 CPU: 675.116, 0.00290562/step Wall: 675.116, 0.00290562/step, 3.84817 hours remaining, 203.183594 MB of memory in use. ENERGY: 232200 758.7282 2102.6391 1976.8098 113.5425 -205443.7575 17314.6597 0.0000 0.0000 34220.4229 -148956.9553 298.8555 -183177.3781 -148860.9402 299.0008 -113.7394 -86.4084 556926.8889 -6.0942 -6.0744 LDB: ============= START OF LOAD BALANCING ============== 678.58 LDB: ============== END OF LOAD BALANCING =============== 678.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 678.582 LDB: ============= START OF LOAD BALANCING ============== 678.872 LDB: Largest compute 4820 load 0.028800 is 24.6% of average load 0.117279 LDB: Average compute 0.001731 is 1.5% of average load 0.117279 LDB: TIME 678.874 LOAD: AVG 0.117279 MAX 0.175651 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.234 MB LDB: TIME 678.875 LOAD: AVG 0.117279 MAX 0.175651 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.234 MB LDB: TIME 678.875 LOAD: AVG 0.117279 MAX 0.175651 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 678.877 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 678.881 PRESSURE: 232400 -174.898 171.566 75.1713 171.565 292.567 -16.1108 75.1709 -16.1098 116.523 GPRESSURE: 232400 -127.741 108.898 78.99 233.855 331.257 19.2904 103.907 -25.373 143.38 PRESSAVG: 232400 -1.32402 -9.43069 31.8498 -9.43066 68.2841 -29.4525 31.8499 -29.4525 -19.5379 GPRESSAVG: 232400 -0.975895 -5.91015 31.2035 -11.8939 67.0859 -28.3107 32.3115 -29.8965 -18.8946 TIMING: 232400 CPU: 675.705, 0.002947/step Wall: 675.705, 0.002947/step, 3.90282 hours remaining, 200.722656 MB of memory in use. ENERGY: 232400 727.9036 2032.1975 1985.1563 121.9924 -205957.9596 17796.1648 0.0000 0.0000 34260.2546 -149034.2903 299.2033 -183294.5449 -148930.7862 299.5514 78.0641 115.6320 557904.4928 15.8074 15.7385 PRESSURE: 232600 -76.4916 -146.118 -140.578 -146.117 -113.336 -231.355 -140.579 -231.356 -10.6734 GPRESSURE: 232600 -96.996 -90.2371 -157.758 -100.408 -67.5581 -237.17 -145.396 -177.967 50.5925 PRESSAVG: 232600 -0.690281 9.8888 4.50572 9.88878 31.4947 -26.9683 4.50568 -26.9682 -30.47 GPRESSAVG: 232600 -0.513122 6.80362 2.91241 10.8508 31.5651 -27.8251 3.80131 -25.9836 -30.8448 TIMING: 232600 CPU: 676.284, 0.00289146/step Wall: 676.284, 0.00289146/step, 3.8291 hours remaining, 200.722656 MB of memory in use. ENERGY: 232600 760.6724 2124.2453 1985.7708 111.4436 -205692.4106 17505.5154 0.0000 0.0000 34186.8189 -149017.9443 298.5620 -183204.7632 -148922.8524 299.3361 -66.8338 -37.9872 556764.5427 0.1115 0.0691 PRESSURE: 232800 -179.255 -118.369 56.5642 -118.368 273.463 -101.769 56.5641 -101.769 -9.43733 GPRESSURE: 232800 -143.82 -150.42 132.423 -165.054 298.97 -57.7732 -107.402 -87.7713 28.4017 PRESSAVG: 232800 -10.2349 -29.9782 -39.4768 -29.9782 16.3221 -46.7845 -39.4768 -46.7846 -20.1492 GPRESSAVG: 232800 -9.91414 -28.5296 -36.3252 -29.897 16.2346 -46.5909 -41.8863 -48.0263 -20.7967 TIMING: 232800 CPU: 676.869, 0.00292628/step Wall: 676.869, 0.00292628/step, 3.87505 hours remaining, 200.722656 MB of memory in use. ENERGY: 232800 751.0932 2070.1332 2006.8307 118.3840 -206245.0710 17882.4405 0.0000 0.0000 34374.2554 -149041.9341 300.1989 -183416.1895 -148938.7564 299.2524 28.2568 61.1839 555856.3681 -4.6873 -4.8254 PRESSURE: 233000 -27.6048 65.6054 -25.8471 65.6061 -108.613 -91.5918 -25.8451 -91.5919 -59.6403 GPRESSURE: 233000 29.8085 115.009 54.6467 -17.4095 -129.263 -131.549 -49.059 -38.9582 12.1491 PRESSAVG: 233000 -23.1497 -7.85871 53.8413 -7.85867 56.9408 -44.367 53.8411 -44.3669 -55.1477 GPRESSAVG: 233000 -23.4566 -8.94128 52.8137 -6.58421 56.3934 -45.5448 54.3035 -43.7569 -54.1294 TIMING: 233000 CPU: 677.454, 0.00292368/step Wall: 677.454, 0.00292368/step, 3.87144 hours remaining, 200.722656 MB of memory in use. ENERGY: 233000 705.8712 2100.3133 1965.6359 120.3011 -206029.6272 17727.7344 0.0000 0.0000 34316.9989 -149092.7725 299.6989 -183409.7713 -148991.2944 299.0092 -65.2860 -29.1019 557386.2965 -7.1189 -7.0642 PRESSURE: 233200 -22.4529 -15.0922 -76.9218 -15.0921 126.752 -41.2353 -76.9222 -41.2363 4.37922 GPRESSURE: 233200 30.1702 -51.9289 50.3474 21.1227 124.79 -38.0428 -44.4592 -22.3729 49.9855 PRESSAVG: 233200 37.9967 -77.982 30.2065 -77.982 33.6125 -25.4182 30.2065 -25.4182 -64.9474 GPRESSAVG: 233200 39.0045 -77.9688 30.9475 -78.9221 33.5242 -25.8502 28.6192 -24.461 -65.3945 TIMING: 233200 CPU: 678.032, 0.00289215/step Wall: 678.032, 0.00289215/step, 3.82953 hours remaining, 200.722656 MB of memory in use. ENERGY: 233200 741.2825 2087.8587 1978.5238 120.4975 -205899.1421 17761.1654 0.0000 0.0000 34173.9009 -149035.9132 298.4492 -183209.8142 -148937.5920 299.3410 36.2262 68.3151 557212.7842 2.2206 2.3781 PRESSURE: 233400 -11.1243 98.2462 -153.436 98.2463 162.231 -86.4361 -153.436 -86.438 -157.874 GPRESSURE: 233400 3.87964 58.1994 -170.304 86.3624 229.236 -82.6957 -125.932 -65.4849 -137.535 PRESSAVG: 233400 -24.5078 -18.2566 -24.0368 -18.2565 45.4869 -22.9508 -24.0367 -22.9508 -5.21658 GPRESSAVG: 233400 -24.9533 -17.0787 -25.3493 -18.4798 46.5815 -18.9468 -20.4826 -24.2501 -5.1417 TIMING: 233400 CPU: 678.612, 0.00290221/step Wall: 678.612, 0.00290221/step, 3.84269 hours remaining, 200.761719 MB of memory in use. ENERGY: 233400 715.2877 2062.9186 1969.8444 110.4989 -205790.8557 17659.9440 0.0000 0.0000 34124.5478 -149147.8143 298.0182 -183272.3621 -149044.5978 299.2182 -2.2558 31.8601 557877.2238 5.2542 5.4955 PRESSURE: 233600 45.4678 162.03 -66.825 162.03 257.941 -104.963 -66.826 -104.964 -49.8426 GPRESSURE: 233600 126.384 163.666 -54.448 177.64 247.449 -143.086 -120.818 -116.441 -20.4776 PRESSAVG: 233600 -32.2414 -14.4617 -2.90373 -14.4617 80.4937 -66.2891 -2.90376 -66.2891 -93.4192 GPRESSAVG: 233600 -32.1631 -15.8527 -1.59208 -13.8827 80.8705 -68.4005 -3.75013 -66.2389 -93.256 TIMING: 233600 CPU: 679.191, 0.00289299/step Wall: 679.191, 0.00289299/step, 3.83032 hours remaining, 200.851562 MB of memory in use. ENERGY: 233600 742.6573 2047.3437 1956.5596 116.5222 -206304.7939 18058.6576 0.0000 0.0000 34301.8229 -149081.2306 299.5664 -183383.0535 -148985.7601 299.3604 84.5221 117.7850 556689.6505 -15.0557 -14.8495 PRESSURE: 233800 44.2185 4.88249 105.233 4.88331 30.5009 4.56768 105.233 4.56795 147.501 GPRESSURE: 233800 103.559 -11.895 92.5968 -5.88968 39.1187 20.7944 96.5785 57.337 165.139 PRESSAVG: 233800 -8.76446 -16.6088 -0.946738 -16.6087 35.9533 7.01511 -0.946724 7.0151 -29.6794 GPRESSAVG: 233800 -8.39054 -15.4908 -3.76023 -14.3576 35.2897 8.68797 -0.68082 6.91624 -29.6674 TIMING: 233800 CPU: 679.766, 0.00287414/step Wall: 679.766, 0.00287414/step, 3.80521 hours remaining, 200.851562 MB of memory in use. ENERGY: 233800 744.5626 2121.6341 1955.1262 122.2303 -206365.9156 18041.3627 0.0000 0.0000 34321.3132 -149059.6865 299.7366 -183380.9997 -148971.6741 298.6686 74.0734 102.6053 556954.5859 -0.8302 -0.9228 PRESSURE: 234000 -162.687 -82.3111 82.4371 -82.311 270.229 43.6274 82.4364 43.6274 215.614 GPRESSURE: 234000 -125.187 -58.0779 137.983 -49.1568 322.646 142.28 144.66 -9.11949 223.03 PRESSAVG: 234000 -13.9702 -9.44495 11.1947 -9.44497 30.025 6.73414 11.1947 6.73404 32.1095 GPRESSAVG: 234000 -14.9872 -10.3652 13.0688 -11.5799 31.8186 4.3135 10.649 5.86593 31.4675 TIMING: 234000 CPU: 680.344, 0.0028914/step Wall: 680.344, 0.0028914/step, 3.8279 hours remaining, 200.851562 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: 234000 759.8957 2100.4421 1949.0834 97.9557 -206226.4999 18037.6139 0.0000 0.0000 34284.9950 -148996.5141 299.4194 -183281.5091 -148903.3831 298.8607 107.7185 140.1630 555831.6222 16.0547 16.0996 PRESSURE: 234200 -63.4589 132.076 95.971 132.077 -211.649 172.57 95.9706 172.569 -160.424 GPRESSURE: 234200 -19.33 86.193 38.3086 133.656 -159.919 128.296 162.87 197.111 -158.608 PRESSAVG: 234200 -59.9735 42.4993 76.0893 42.4993 14.0731 23.4152 76.0893 23.4152 -9.31382 GPRESSAVG: 234200 -58.278 44.5752 74.8301 41.365 13.4057 24.9416 75.5397 22.402 -10.4912 TIMING: 234200 CPU: 680.921, 0.0028848/step Wall: 680.921, 0.0028848/step, 3.81899 hours remaining, 200.851562 MB of memory in use. ENERGY: 234200 715.0389 2079.6579 1970.1752 120.9210 -206014.0110 17505.9431 0.0000 0.0000 34487.8891 -149134.3858 301.1913 -183622.2749 -149035.6242 299.1885 -145.1772 -112.6191 556713.1163 -18.4047 -18.4545 PRESSURE: 234400 182.107 194.006 124.868 194.005 -5.71828 87.8516 124.868 87.8525 30.2796 GPRESSURE: 234400 207.848 78.0946 119.509 160.782 13.0127 181.045 139.708 -5.76644 75.6369 PRESSAVG: 234400 34.2861 -9.55469 -1.12852 -9.55474 -4.03681 18.9939 -1.12841 18.994 -2.17633 GPRESSAVG: 234400 33.5236 -10.3837 0.691312 -8.25262 -3.99582 19.6501 -1.67534 20.2977 -1.09556 TIMING: 234400 CPU: 681.5, 0.00289572/step Wall: 681.5, 0.00289572/step, 3.83329 hours remaining, 200.851562 MB of memory in use. ENERGY: 234400 737.6009 2138.2324 1953.0287 113.0017 -206216.7456 17942.6328 0.0000 0.0000 34270.3860 -149061.8631 299.2918 -183332.2491 -148966.6336 299.4666 68.8896 98.8324 556536.9576 9.3577 9.4774 PRESSURE: 234600 122.057 -29.3765 174.954 -29.3769 83.7488 82.0229 174.953 82.0225 17.783 GPRESSURE: 234600 146.06 6.95403 165.964 10.9143 81.8295 37.1793 184.074 132.04 93.8565 PRESSAVG: 234600 96.4956 16.5332 22.6826 16.5333 -34.9036 41.6702 22.6827 41.6701 -63.3306 GPRESSAVG: 234600 97.4757 16.9301 23.0885 15.992 -37.0747 38.9281 22.3073 43.6506 -61.8291 TIMING: 234600 CPU: 682.078, 0.00288625/step Wall: 682.078, 0.00288625/step, 3.8206 hours remaining, 200.851562 MB of memory in use. ENERGY: 234600 753.1456 2142.5881 1943.9766 115.5789 -206229.5696 18002.4517 0.0000 0.0000 34297.4482 -148974.3804 299.5281 -183271.8286 -148883.4682 299.0533 74.5297 107.2487 557662.5573 -0.5795 -0.4760 PRESSURE: 234800 138.589 -26.7629 -31.0518 -26.763 71.0268 -33.7597 -31.0513 -33.7582 9.67399 GPRESSURE: 234800 157.676 -62.5849 -91.6955 -63.0993 78.4644 -2.52598 13.4553 71.3775 77.7969 PRESSAVG: 234800 97.7534 -9.1323 -10.7976 -9.13231 -12.1803 -4.98521 -10.7975 -4.98521 -91.8402 GPRESSAVG: 234800 96.7155 -9.22014 -12.2571 -8.66413 -9.88804 -2.85153 -6.85296 -6.80096 -92.8297 TIMING: 234800 CPU: 682.655, 0.00288934/step Wall: 682.655, 0.00288934/step, 3.82452 hours remaining, 200.851562 MB of memory in use. ENERGY: 234800 728.5087 2115.1749 1951.0735 99.8200 -205992.4805 17998.9790 0.0000 0.0000 34241.5399 -148857.3845 299.0399 -183098.9244 -148761.5926 299.8941 73.0967 104.6458 557577.9218 -2.0891 -2.0007 PRESSURE: 235000 -208.525 -7.60869 -147.214 -7.60877 36.5183 50.0347 -147.215 50.0334 -17.8825 GPRESSURE: 235000 -191.596 9.08209 -178.262 52.6648 113.365 -26.8892 -166.75 44.2912 -22.2986 PRESSAVG: 235000 -12.8217 -42.6241 -46.0505 -42.6241 21.2767 32.5517 -46.0506 32.5517 0.843928 GPRESSAVG: 235000 -12.6619 -42.616 -47.4182 -41.9889 20.0498 32.7683 -47.1308 31.6953 1.53376 TIMING: 235000 CPU: 683.232, 0.00288123/step Wall: 683.232, 0.00288123/step, 3.81363 hours remaining, 200.851562 MB of memory in use. ENERGY: 235000 737.1706 2079.2130 1946.9556 118.0525 -206046.9636 17816.5501 0.0000 0.0000 34429.4457 -148919.5761 300.6809 -183349.0218 -148819.0453 300.0152 -63.2964 -33.5100 558945.7061 3.0996 2.9739 PRESSURE: 235200 123.834 23.4985 -29.1236 23.4991 216.604 117.067 -29.1241 117.067 -65.643 GPRESSURE: 235200 163.961 -133.048 -54.5435 49.1273 212.869 95.982 -84.095 102.052 -14.2846 PRESSAVG: 235200 -3.12384 21.1671 -12.643 21.1671 -74.2103 1.41727 -12.643 1.4173 37.9424 GPRESSAVG: 235200 -2.74458 21.5041 -12.6291 22.7309 -74.2106 0.882491 -12.1354 2.10345 37.9898 TIMING: 235200 CPU: 683.81, 0.00289368/step Wall: 683.81, 0.00289368/step, 3.82995 hours remaining, 200.851562 MB of memory in use. ENERGY: 235200 746.3235 2102.0924 1981.1149 125.9611 -206250.1053 18065.8270 0.0000 0.0000 34300.0893 -148928.6971 299.5512 -183228.7864 -148829.2293 299.8690 91.5985 120.8488 559325.5578 -13.1306 -12.9885 PRESSURE: 235400 45.8277 -105.23 79.0339 -105.23 45.7179 156.378 79.0325 156.378 48.0047 GPRESSURE: 235400 78.2171 -21.4757 96.4545 -168.982 69.2038 159.576 106.99 112.527 66.864 PRESSAVG: 235400 -30.6434 22.335 -70.3442 22.335 50.6523 23.9806 -70.3443 23.9805 10.8123 GPRESSAVG: 235400 -31.5254 19.4528 -70.2052 22.1048 52.04 23.5179 -69.4257 24.7855 10.1277 TIMING: 235400 CPU: 684.395, 0.00292422/step Wall: 684.395, 0.00292422/step, 3.8702 hours remaining, 200.851562 MB of memory in use. ENERGY: 235400 714.6466 2116.0394 2004.5325 130.5701 -206162.7097 17874.2861 0.0000 0.0000 34343.0786 -148979.5564 299.9266 -183322.6350 -148882.2936 299.9102 46.5167 71.4283 559022.2247 10.2737 10.2141 PRESSURE: 235600 137.416 -3.81346 55.8934 -3.81302 69.1429 -41.1585 55.8936 -41.1601 -32.9475 GPRESSURE: 235600 169.959 -9.81828 97.4253 93.2365 149.547 -57.9742 0.876702 5.60825 -36.3834 PRESSAVG: 235600 -17.1845 -30.7698 11.3128 -30.7699 -1.21643 -35.1488 11.3127 -35.1489 27.6626 GPRESSAVG: 235600 -17.075 -25.9102 13.8874 -31.8487 -1.38573 -34.7979 9.90141 -34.2072 27.3672 TIMING: 235600 CPU: 684.976, 0.00290375/step Wall: 684.976, 0.00290375/step, 3.84295 hours remaining, 200.851562 MB of memory in use. ENERGY: 235600 737.5619 2077.0197 1989.3500 114.7887 -206385.8871 18034.7229 0.0000 0.0000 34356.0964 -149076.3476 300.0403 -183432.4439 -148983.2391 300.0180 57.8706 94.3741 558359.8793 3.0872 2.9688 PRESSURE: 235800 -88.9594 97.3471 100.54 97.3482 26.8501 -114.714 100.541 -114.714 26.8162 GPRESSURE: 235800 -35.1618 61.0608 81.3265 64.0979 94.9296 -60.625 157.327 -86.4541 5.0234 PRESSAVG: 235800 2.65174 49.1862 -38.5625 49.1862 -8.57395 27.3236 -38.5625 27.3235 -14.1637 GPRESSAVG: 235800 2.70666 48.3034 -38.4537 48.1862 -8.5842 27.3189 -39.8214 26.7973 -14.3318 TIMING: 235800 CPU: 685.555, 0.0028943/step Wall: 685.555, 0.0028943/step, 3.83028 hours remaining, 200.851562 MB of memory in use. ENERGY: 235800 758.2689 2084.1708 1956.1662 114.5173 -206174.1857 17854.4932 0.0000 0.0000 34265.9227 -149140.6467 299.2528 -183406.5694 -149044.3236 299.4376 -11.7644 21.5971 556990.6852 -6.6953 -6.7365 PRESSURE: 236000 -84.2443 109.5 135.681 109.5 -229.225 115.982 135.681 115.982 -442.039 GPRESSURE: 236000 -93.3168 59.8575 243.971 83.9546 -226.318 99.0993 137.86 170.036 -348.041 PRESSAVG: 236000 -20.3509 1.91932 40.3141 1.91936 -22.7091 16.2334 40.3141 16.2334 -13.3177 GPRESSAVG: 236000 -20.5417 -1.33135 39.9227 3.72924 -23.2636 15.9354 40.6328 15.5292 -11.8563 TIMING: 236000 CPU: 686.134, 0.00289647/step Wall: 686.134, 0.00289647/step, 3.833 hours remaining, 200.851562 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: 236000 763.0911 2029.1406 1969.3801 121.1844 -205817.1125 17340.6021 0.0000 0.0000 34389.1633 -149204.5510 300.3291 -183593.7143 -149100.2450 299.3849 -251.8358 -222.5587 557853.1114 -18.7926 -18.5538 PRESSURE: 236200 -41.1598 -2.0167 33.323 -2.01629 91.5982 42.5034 33.3237 42.5043 -145.838 GPRESSURE: 236200 6.44185 -40.8711 57.8807 -4.91461 114.712 -83.5104 -28.9787 13.447 -113.148 PRESSAVG: 236200 48.8465 0.534418 5.51571 0.534335 -1.51498 39.3581 5.5158 39.3582 -36.4971 GPRESSAVG: 236200 48.595 2.13743 4.5204 -0.253704 -0.320105 40.9622 6.34931 36.4009 -38.1047 TIMING: 236200 CPU: 686.713, 0.00289268/step Wall: 686.713, 0.00289268/step, 3.82782 hours remaining, 200.851562 MB of memory in use. ENERGY: 236200 741.9609 2092.8729 1971.9543 117.0559 -206231.8153 17832.0431 0.0000 0.0000 34314.0455 -149161.8828 299.6731 -183475.9282 -149063.7702 299.7117 -31.7997 2.6686 557010.5468 3.6115 3.3901 LDB: ============= START OF LOAD BALANCING ============== 690.177 LDB: ============== END OF LOAD BALANCING =============== 690.178 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 690.179 LDB: ============= START OF LOAD BALANCING ============== 690.469 LDB: Largest compute 4820 load 0.028165 is 24.0% of average load 0.117385 LDB: Average compute 0.001740 is 1.5% of average load 0.117385 LDB: TIME 690.472 LOAD: AVG 0.117385 MAX 0.1767 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.77 MB LDB: TIME 690.472 LOAD: AVG 0.117385 MAX 0.1767 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.977 MB LDB: TIME 690.472 LOAD: AVG 0.117385 MAX 0.1767 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.977 MB LDB: ============== END OF LOAD BALANCING =============== 690.474 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 690.478 PRESSURE: 236400 103.997 -23.6047 138.499 -23.6055 107.491 -24.4517 138.497 -24.4517 163.803 GPRESSURE: 236400 155.002 3.19706 106.963 14.6577 130.702 -2.58677 1.1053 0.022185 183.274 PRESSAVG: 236400 -39.8421 -9.55373 7.36442 -9.55364 44.715 -44.0128 7.36445 -44.0128 24.4585 GPRESSAVG: 236400 -39.24 -9.0465 7.42434 -10.8705 42.1851 -43.8199 6.95126 -43.444 26.4423 TIMING: 236400 CPU: 687.303, 0.00294933/step Wall: 687.303, 0.00294933/step, 3.90261 hours remaining, 201.031250 MB of memory in use. ENERGY: 236400 736.6578 2096.9386 1987.0555 113.5576 -206502.6657 18231.4884 0.0000 0.0000 34169.8514 -149167.1165 298.4138 -183336.9679 -149075.8500 299.3206 125.0970 156.3260 557276.2054 9.7772 9.7958 PRESSURE: 236600 200.812 -115.01 61.7197 -115.011 -146.077 289.804 61.7214 289.806 33.283 GPRESSURE: 236600 242.189 -9.39997 91.6747 -165.32 -117.685 216.869 61.0305 358.463 48.7453 PRESSAVG: 236600 5.19245 -24.6617 35.7695 -24.6617 -42.3768 51.2297 35.7694 51.2296 60.0009 GPRESSAVG: 236600 5.56063 -25.1263 34.8735 -24.4136 -41.2629 50.3982 36.133 53.4741 58.6388 TIMING: 236600 CPU: 687.878, 0.00287946/step Wall: 687.878, 0.00287946/step, 3.81001 hours remaining, 201.492188 MB of memory in use. ENERGY: 236600 741.6300 2082.1396 1976.7827 110.7547 -206185.2794 17843.9094 0.0000 0.0000 34273.7333 -149156.3297 299.3210 -183430.0630 -149065.7625 299.3413 29.3394 57.7499 558528.7035 7.6055 7.6455 PRESSURE: 236800 50.0697 38.0231 -156.619 38.0228 -79.1887 -77.0225 -156.619 -77.0228 -274.015 GPRESSURE: 236800 54.6843 59.0205 -255.27 -4.50975 -71.7964 -116.342 -107.303 -134.427 -181.461 PRESSAVG: 236800 -17.544 -43.2952 -48.2212 -43.2952 -15.6679 -12.8023 -48.2212 -12.8022 64.1487 GPRESSAVG: 236800 -18.2141 -42.3094 -46.6064 -44.7357 -15.4158 -12.8472 -49.3959 -12.9448 64.1056 TIMING: 236800 CPU: 688.457, 0.00289432/step Wall: 688.457, 0.00289432/step, 3.82951 hours remaining, 201.492188 MB of memory in use. ENERGY: 236800 752.1419 2072.6363 1974.8436 115.7555 -206156.5219 17891.7410 0.0000 0.0000 34352.9187 -148996.4851 300.0126 -183349.4038 -148895.6986 299.9550 -101.0448 -66.1910 558833.6075 10.3123 10.1586 PRESSURE: 237000 40.9693 -21.0632 98.5539 -21.0638 -9.1149 1.37955 98.5538 1.37913 -3.74126 GPRESSURE: 237000 54.6384 -23.5522 129.438 -78.3203 39.2419 87.866 56.2962 -41.0705 35.6543 PRESSAVG: 237000 -2.30971 -17.671 6.19748 -17.6711 -42.0675 -28.3116 6.19746 -28.3116 -0.630872 GPRESSAVG: 237000 -2.38312 -18.2755 5.36557 -15.6294 -40.4289 -27.6953 6.96548 -30.2856 -1.80867 TIMING: 237000 CPU: 689.038, 0.00290217/step Wall: 689.038, 0.00290217/step, 3.83973 hours remaining, 201.492188 MB of memory in use. ENERGY: 237000 739.3245 2125.8441 1966.9876 112.9163 -206262.5466 17925.5075 0.0000 0.0000 34454.8879 -148937.0788 300.9031 -183391.9667 -148838.7161 300.1377 9.3710 43.1782 558521.5892 -15.0027 -14.8736 PRESSURE: 237200 -106.11 119.702 -185.396 119.702 25.1462 37.5679 -185.396 37.5679 -90.0782 GPRESSURE: 237200 -140.34 115.187 -123.005 112.46 121.526 12.342 -214.475 28.8988 -56.751 PRESSAVG: 237200 48.1426 -7.62876 -22.5161 -7.62876 23.906 -12.0254 -22.5161 -12.0253 -6.21133 GPRESSAVG: 237200 48.2936 -9.59642 -21.7863 -7.13377 23.1983 -11.8307 -23.3121 -10.3913 -5.64008 TIMING: 237200 CPU: 689.622, 0.0029224/step Wall: 689.622, 0.0029224/step, 3.86633 hours remaining, 201.492188 MB of memory in use. ENERGY: 237200 753.4699 2080.0489 1991.2534 102.7994 -206099.7565 17867.0739 0.0000 0.0000 34392.9122 -148912.1987 300.3619 -183305.1110 -148820.6519 300.5300 -57.0139 -25.1884 557579.7811 21.9458 21.9506 PRESSURE: 237400 80.1121 30.421 -122.394 30.4204 -169.696 62.2657 -122.396 62.266 -26.4619 GPRESSURE: 237400 82.7952 63.7133 -127.901 -75.5301 -108.31 81.94 -156.634 59.5615 4.4649 PRESSAVG: 237400 41.8444 4.86448 -34.3832 4.86458 -11.3913 19.8685 -34.3832 19.8685 17.8458 GPRESSAVG: 237400 42.4922 4.99458 -34.7599 4.12489 -12.6936 19.1224 -32.9085 19.3587 18.531 TIMING: 237400 CPU: 690.208, 0.00292672/step Wall: 690.208, 0.00292672/step, 3.87189 hours remaining, 201.726562 MB of memory in use. ENERGY: 237400 741.6032 2071.3920 1974.7933 116.9035 -206348.0928 17781.1556 0.0000 0.0000 34565.0066 -149097.2385 301.8648 -183662.2451 -148989.2122 299.9457 -38.6821 -7.0168 557101.3886 16.0996 16.1099 PRESSURE: 237600 -197.584 77.393 219.663 77.392 204.943 38.0316 219.662 38.0324 193.878 GPRESSURE: 237600 -154.225 44.5597 204.362 133.166 236.181 1.17079 227.349 82.3961 211.852 PRESSAVG: 237600 8.43021 36.7369 70.4255 36.7369 14.2891 33.9902 70.4255 33.9901 -8.48599 GPRESSAVG: 237600 7.25092 37.4552 70.1713 36.1767 15.3556 33.2232 69.8464 35.8612 -8.8415 TIMING: 237600 CPU: 690.79, 0.00291265/step Wall: 690.79, 0.00291265/step, 3.85312 hours remaining, 201.726562 MB of memory in use. ENERGY: 237600 748.6385 2109.1259 2010.0813 122.2633 -206531.1861 18004.5331 0.0000 0.0000 34454.7449 -149081.7990 300.9019 -183536.5439 -148973.6230 300.3213 67.0791 97.9358 556700.9232 4.7444 4.5884 PRESSURE: 237800 -37.5912 41.5855 16.2542 41.5854 184.89 25.8728 16.2556 25.8719 98.8843 GPRESSURE: 237800 15.9195 -42.5195 -11.5777 84.0941 166.807 32.9251 -3.83286 3.17055 151.415 PRESSAVG: 237800 -22.141 3.88169 20.5969 3.88169 72.1876 -48.4941 20.5969 -48.4941 -28.2677 GPRESSAVG: 237800 -20.0321 2.75368 20.0858 5.7731 70.1841 -47.3651 22.9704 -49.2822 -28.6942 TIMING: 237800 CPU: 691.372, 0.00290821/step Wall: 691.372, 0.00290821/step, 3.84708 hours remaining, 201.726562 MB of memory in use. ENERGY: 237800 709.1763 2111.6979 1988.1479 114.1920 -206220.0170 17943.9182 0.0000 0.0000 34173.0319 -149179.8529 298.4416 -183352.8848 -149081.2115 299.7185 82.0610 111.3802 556629.0305 7.2596 7.1526 PRESSURE: 238000 35.1682 -121.728 -164.673 -121.728 -77.4754 -15.2231 -164.673 -15.2232 17.8515 GPRESSURE: 238000 69.7839 -129.274 -107.733 -93.64 -34.8737 -3.82877 -122.105 -16.3683 40.7523 PRESSAVG: 238000 0.434403 69.0512 -27.544 69.0513 8.59691 4.44409 -27.5441 4.44401 -75.1668 GPRESSAVG: 238000 -0.716212 70.4731 -24.7144 68.1485 10.3943 4.93533 -28.2507 4.50944 -75.7724 TIMING: 238000 CPU: 691.958, 0.00293366/step Wall: 691.958, 0.00293366/step, 3.88058 hours remaining, 201.726562 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: 238000 762.5336 2096.5988 1961.7943 102.8356 -206424.1709 17863.3211 0.0000 0.0000 34303.4041 -149333.6835 299.5802 -183637.0876 -149233.5367 298.9912 -8.1519 25.2208 556253.1687 -22.0452 -22.0314 PRESSURE: 238200 -69.472 181.286 -101.668 181.286 -92.6928 -23.595 -101.667 -23.5951 13.6467 GPRESSURE: 238200 10.5728 130.354 -165.663 199.227 -133.749 121.618 -20.4813 -170.318 72.0724 PRESSAVG: 238200 -1.65747 10.1975 -48.4112 10.1974 54.8475 11.728 -48.4111 11.7281 -50.4876 GPRESSAVG: 238200 -1.53402 11.1184 -48.6848 9.69991 53.3574 12.6384 -48.7824 10.4407 -49.6079 TIMING: 238200 CPU: 692.548, 0.00294619/step Wall: 692.548, 0.00294619/step, 3.89699 hours remaining, 201.726562 MB of memory in use. ENERGY: 238200 727.7260 2053.4565 1964.1879 121.8405 -205827.2611 17515.4563 0.0000 0.0000 33980.5147 -149464.0791 296.7603 -183444.5938 -149367.4908 298.7073 -49.5060 -17.0346 556350.8110 0.9008 0.7385 PRESSURE: 238400 204.976 51.9421 87.886 51.9415 -226.154 114.584 87.8865 114.584 -212.089 GPRESSURE: 238400 194.061 112.145 112.012 -6.36309 -172.084 122.573 92.8896 111.425 -151.675 PRESSAVG: 238400 53.146 37.5904 -15.4415 37.5904 -20.6643 -22.7548 -15.4416 -22.7547 -39.8718 GPRESSAVG: 238400 52.3185 36.1486 -18.3909 37.3937 -20.3343 -25.1075 -15.16 -24.0612 -39.2588 TIMING: 238400 CPU: 693.135, 0.00293721/step Wall: 693.135, 0.00293721/step, 3.88495 hours remaining, 201.726562 MB of memory in use. ENERGY: 238400 727.7059 2134.2247 1969.6228 103.9449 -205969.0760 17535.6904 0.0000 0.0000 34213.0247 -149284.8626 298.7909 -183497.8873 -149192.8172 298.0872 -77.7555 -43.2326 557258.8951 -2.4634 -2.4249 PRESSURE: 238600 -58.7105 108.966 60.8812 108.966 36.8834 75.3659 60.8824 75.3659 27.3422 GPRESSURE: 238600 18.0473 107.827 4.57833 139.77 19.7865 -0.963402 95.619 100.163 75.2362 PRESSAVG: 238600 0.707583 43.1202 6.95354 43.1201 5.38444 -40.1369 6.95339 -40.1367 11.2051 GPRESSAVG: 238600 1.81074 43.7521 7.41601 42.2399 4.93139 -39.7043 7.93911 -38.8441 10.7977 TIMING: 238600 CPU: 693.718, 0.00291514/step Wall: 693.718, 0.00291514/step, 3.8556 hours remaining, 201.726562 MB of memory in use. ENERGY: 238600 750.9211 2154.8770 1979.4945 120.9036 -206296.8082 17953.2805 0.0000 0.0000 34092.8955 -149244.4359 297.7417 -183337.3315 -149157.9159 298.7668 1.8383 37.6900 557256.1532 5.7657 5.8466 PRESSURE: 238800 110.602 123.756 -137.674 123.756 97.208 -24.4994 -137.675 -24.4999 211.521 GPRESSURE: 238800 133.67 75.6603 -109.266 146.155 151.345 -55.3045 -167.619 -6.36784 236.32 PRESSAVG: 238800 9.57437 17.0951 -2.18083 17.0951 -81.5895 -54.7028 -2.18074 -54.7028 83.1805 GPRESSAVG: 238800 10.6205 16.6886 -1.33263 17.6957 -82.1997 -54.3961 -1.49489 -56.6075 82.3094 TIMING: 238800 CPU: 694.301, 0.00291209/step Wall: 694.301, 0.00291209/step, 3.85139 hours remaining, 201.726562 MB of memory in use. ENERGY: 238800 733.6985 2136.9473 1966.9897 129.3116 -206660.9932 18107.5403 0.0000 0.0000 34283.7941 -149302.7117 299.4089 -183586.5058 -149206.5585 298.6714 139.7771 173.7783 557055.9399 3.7218 3.5767 PRESSURE: 239000 7.08288 221.803 5.66001 221.802 -146.881 -81.9575 5.66199 -81.9555 -187.106 GPRESSURE: 239000 3.99514 313.057 -60.6816 122.886 -132.715 -75.6797 56.8971 -181.972 -110.632 PRESSAVG: 239000 -18.1447 4.05615 50.9009 4.0562 -4.51159 3.50377 50.9011 3.50377 1.67022 GPRESSAVG: 239000 -18.9298 2.72809 51.8385 4.39285 -3.91724 4.23255 46.6643 3.32595 2.10733 TIMING: 239000 CPU: 694.88, 0.00289846/step Wall: 694.88, 0.00289846/step, 3.83321 hours remaining, 201.726562 MB of memory in use. ENERGY: 239000 724.8607 2069.6388 1966.7675 104.8832 -205946.9031 17468.1434 0.0000 0.0000 34329.5182 -149283.0913 299.8082 -183612.6094 -149190.2931 298.5116 -108.9680 -79.7841 557633.2185 -6.9954 -6.9132 PRESSURE: 239200 -136.231 41.6651 -62.738 41.666 -170.328 -66.5719 -62.7369 -66.5711 -8.19805 GPRESSURE: 239200 -103.46 12.1933 48.1568 10.1297 -185.228 -136.059 -150.447 -21.8128 82.1968 PRESSAVG: 239200 -37.9428 -56.3403 9.47004 -56.3404 -14.3342 -44.7122 9.46997 -44.7121 11.614 GPRESSAVG: 239200 -39.3473 -54.8258 8.35041 -55.8351 -14.5594 -45.4283 11.6188 -41.9591 12.5822 TIMING: 239200 CPU: 695.456, 0.0028809/step Wall: 695.456, 0.0028809/step, 3.80983 hours remaining, 201.726562 MB of memory in use. ENERGY: 239200 774.9160 2098.0804 1968.5417 110.5220 -206016.9924 17572.5526 0.0000 0.0000 34326.0124 -149166.3673 299.7776 -183492.3798 -149066.6583 298.6879 -104.9190 -68.8305 557891.7516 -13.5543 -13.7748 PRESSURE: 239400 -142.513 12.9101 -8.22985 12.9101 -118.532 0.494509 -8.22947 0.493606 10.7339 GPRESSURE: 239400 -73.0414 116.647 22.6893 -58.4216 -133.428 -29.8091 118.956 -25.5653 55.5723 PRESSAVG: 239400 -0.607413 41.6166 -10.92 41.6166 -26.1828 43.7094 -10.92 43.7095 16.4688 GPRESSAVG: 239400 0.973517 42.3578 -10.554 39.1271 -25.5772 43.518 -10.7799 43.0321 14.6241 TIMING: 239400 CPU: 696.043, 0.00293247/step Wall: 696.043, 0.00293247/step, 3.87787 hours remaining, 201.726562 MB of memory in use. ENERGY: 239400 748.8473 2112.3629 2016.8304 129.8189 -206103.8191 17813.2533 0.0000 0.0000 34301.1975 -148981.5087 299.5609 -183282.7062 -148887.0034 299.0143 -83.4369 -50.2992 558730.1326 -3.4405 -3.3265 PRESSURE: 239600 -199.145 22.8822 62.1969 22.8824 71.835 14.2407 62.1957 14.2413 -153.487 GPRESSURE: 239600 -137.904 57.4482 47.8998 0.219836 69.0929 90.0857 119.217 -50.1233 -110.319 PRESSAVG: 239600 -27.0165 -21.1893 58.1423 -21.1893 -12.9595 29.2916 58.1423 29.2915 14.8858 GPRESSAVG: 239600 -27.416 -23.125 58.3737 -19.7754 -12.9894 32.167 57.434 29.5996 15.1759 TIMING: 239600 CPU: 696.62, 0.00288338/step Wall: 696.62, 0.00288338/step, 3.8128 hours remaining, 201.726562 MB of memory in use. ENERGY: 239600 718.8963 2092.0667 2018.0823 111.7648 -205967.6050 17647.2180 0.0000 0.0000 34554.2721 -148825.3048 301.7711 -183379.5769 -148731.9975 300.1477 -93.5988 -59.7100 558874.6032 -8.3634 -8.4098 PRESSURE: 239800 -217.157 6.42368 150.051 6.42289 -263.795 135.409 150.051 135.411 50.2013 GPRESSURE: 239800 -175.124 29.0113 211.064 -75.3551 -254.783 68.6087 109.798 135.454 84.6897 PRESSAVG: 239800 -42.4992 -32.0885 -17.073 -32.0884 45.1541 33.2584 -17.073 33.2584 2.47821 GPRESSAVG: 239800 -43.4054 -28.2607 -17.2997 -33.218 45.6209 31.7568 -17.3933 32.9061 2.51235 TIMING: 239800 CPU: 697.196, 0.00288315/step Wall: 697.196, 0.00288315/step, 3.81233 hours remaining, 201.726562 MB of memory in use. ENERGY: 239800 766.6599 2070.1129 1952.7319 113.2401 -205948.0777 17522.3699 0.0000 0.0000 34559.9177 -148963.0453 301.8204 -183522.9630 -148865.7402 300.4347 -143.5836 -115.0726 556763.4195 1.7111 1.5760 PRESSURE: 240000 -54.3111 20.1263 -84.0196 20.1284 -148.103 -106.709 -84.0187 -106.708 56.1463 GPRESSURE: 240000 -5.11338 -113.165 -58.214 44.0023 -42.7734 -4.00128 -81.8205 -137.119 -5.99609 PRESSAVG: 240000 -71.7298 -10.0118 50.864 -10.0119 7.31542 14.5516 50.864 14.5516 35.2858 GPRESSAVG: 240000 -71.8051 -12.106 51.7548 -7.92051 6.49237 15.0668 52.0679 14.4629 36.3278 TIMING: 240000 CPU: 697.774, 0.00289084/step Wall: 697.774, 0.00289084/step, 3.82233 hours remaining, 201.726562 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: 240000 721.9029 2077.2767 2005.3034 117.0717 -205987.1974 17765.3181 0.0000 0.0000 34243.8530 -149056.4716 299.0601 -183300.3246 -148951.5403 299.8288 -48.7560 -17.9609 558363.5070 -9.7095 -9.6617 PRESSURE: 240200 221.259 -129.179 -62.1493 -129.179 -21.0322 267.164 -62.1487 267.164 -132.181 GPRESSURE: 240200 234.151 -118.918 -115.927 -43.1849 23.9011 217.119 -31.4325 174.679 -95.5181 PRESSAVG: 240200 -53.9964 42.4618 -58.4438 42.4618 28.8631 3.46127 -58.4438 3.46125 33.9385 GPRESSAVG: 240200 -52.2302 44.3449 -59.2463 39.3322 27.3626 0.983129 -57.8801 3.86922 33.4681 TIMING: 240200 CPU: 698.354, 0.00289936/step Wall: 698.354, 0.00289936/step, 3.83344 hours remaining, 201.726562 MB of memory in use. ENERGY: 240200 738.7154 2034.9020 1980.4397 108.6070 -205932.5640 17907.8062 0.0000 0.0000 34151.3618 -149010.7318 298.2523 -183162.0936 -148909.6014 300.2060 22.6820 54.1781 559700.4537 2.9350 2.8669 LDB: ============= START OF LOAD BALANCING ============== 701.82 LDB: ============== END OF LOAD BALANCING =============== 701.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 701.822 LDB: ============= START OF LOAD BALANCING ============== 702.115 LDB: Largest compute 4820 load 0.028259 is 24.1% of average load 0.117425 LDB: Average compute 0.001733 is 1.5% of average load 0.117425 LDB: TIME 702.118 LOAD: AVG 0.117425 MAX 0.176789 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.922 MB LDB: TIME 702.118 LOAD: AVG 0.117425 MAX 0.176789 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.992 MB LDB: TIME 702.118 LOAD: AVG 0.117425 MAX 0.176789 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.992 MB LDB: ============== END OF LOAD BALANCING =============== 702.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 702.124 PRESSURE: 240400 -94.493 -12.1245 -54.0537 -12.1243 -251.794 -220.722 -54.054 -220.722 12.1492 GPRESSURE: 240400 -23.0632 -5.73318 -78.509 69.8739 -194.409 -144.42 -52.7108 -233.89 -28.7109 PRESSAVG: 240400 53.2927 40.5608 -13.5745 40.5609 -58.877 -61.7807 -13.5744 -61.7808 8.94056 GPRESSAVG: 240400 52.2685 37.9361 -15.5104 42.209 -56.5929 -62.0858 -13.7158 -61.9708 7.4353 TIMING: 240400 CPU: 698.949, 0.00297352/step Wall: 698.949, 0.00297352/step, 3.93132 hours remaining, 201.906250 MB of memory in use. ENERGY: 240400 743.5847 2104.5594 2006.4806 111.7591 -205866.3791 17581.8783 0.0000 0.0000 34235.9826 -149082.1344 298.9914 -183318.1169 -148984.1270 299.7371 -111.3791 -82.0609 558369.7410 1.1187 1.0370 PRESSURE: 240600 28.272 -80.9662 -85.6541 -80.9658 186.471 2.70562 -85.6533 2.70419 358.266 GPRESSURE: 240600 36.792 -105.936 -127.53 -86.308 229.128 4.77803 -3.40324 -28.5829 402.179 PRESSAVG: 240600 -12.229 -31.4572 -0.641081 -31.4573 -15.4666 -30.4525 -0.641002 -30.4525 26.807 GPRESSAVG: 240600 -12.2776 -33.0819 0.584435 -30.6953 -15.4263 -30.2924 -1.38629 -30.7152 27.0916 TIMING: 240600 CPU: 699.531, 0.0029093/step Wall: 699.531, 0.0029093/step, 3.84626 hours remaining, 201.906250 MB of memory in use. ENERGY: 240600 712.7905 2098.0760 2007.1523 127.7412 -206289.3978 18003.2775 0.0000 0.0000 34390.9989 -148949.3614 300.3451 -183340.3603 -148852.2677 299.3940 191.0029 222.6996 557779.3934 -0.2962 -0.2041 PRESSURE: 240800 30.8716 -262.661 -68.3357 -262.66 -117.974 49.0474 -68.336 49.048 -121.392 GPRESSURE: 240800 80.9716 -276.162 -80.1494 -221.33 -73.7466 128.632 -38.6747 9.39483 -118.254 PRESSAVG: 240800 -46.69 -8.68154 -18.651 -8.68151 12.6939 -1.10291 -18.6509 -1.10287 55.5047 GPRESSAVG: 240800 -46.937 -7.8144 -16.215 -8.46539 12.2615 -0.514439 -19.0847 -0.711059 56.313 TIMING: 240800 CPU: 700.115, 0.00292014/step Wall: 700.115, 0.00292014/step, 3.86043 hours remaining, 201.906250 MB of memory in use. ENERGY: 240800 763.6737 2079.0561 1976.8244 115.8259 -206283.5232 17812.4966 0.0000 0.0000 34427.5735 -149108.0731 300.6646 -183535.6465 -149011.4793 299.7172 -69.4981 -37.0098 556920.0197 7.1695 7.2125 PRESSURE: 241000 63.5026 81.673 -91.1026 81.6724 -151.811 -57.7845 -91.1017 -57.7854 -120.717 GPRESSURE: 241000 177.416 58.9735 -180.445 46.1562 -178.661 -11.2905 -87.1707 -54.7803 -127.204 PRESSAVG: 241000 -9.23033 -11.0941 7.20493 -11.0942 -23.6163 -74.0435 7.20491 -74.0435 12.8454 GPRESSAVG: 241000 -9.93527 -12.1668 5.92792 -11.5651 -23.6884 -73.44 6.46236 -75.7326 13.4429 TIMING: 241000 CPU: 700.691, 0.00288095/step Wall: 700.691, 0.00288095/step, 3.80846 hours remaining, 201.906250 MB of memory in use. ENERGY: 241000 780.4820 2162.5013 1996.1734 109.7380 -206109.0778 17860.2494 0.0000 0.0000 34282.6379 -148917.2956 299.3988 -183199.9335 -148818.3751 299.7869 -69.6751 -42.8163 559345.2568 -6.6671 -6.7269 PRESSURE: 241200 -187.725 -44.7556 -16.1601 -44.7561 -140.69 -100.031 -16.1608 -100.029 -40.8152 GPRESSURE: 241200 -140.902 -55.8009 1.47131 4.9869 -120.252 -69.6608 61.3449 -14.4062 -6.07996 PRESSAVG: 241200 9.06894 -32.4428 8.90543 -32.4427 -4.37273 -10.5064 8.90552 -10.5064 -64.726 GPRESSAVG: 241200 9.6485 -31.4754 8.28911 -32.1062 -4.68793 -10.2504 9.10679 -10.2108 -65.2967 TIMING: 241200 CPU: 701.271, 0.00289938/step Wall: 701.271, 0.00289938/step, 3.83265 hours remaining, 201.906250 MB of memory in use. ENERGY: 241200 714.5324 2097.9236 1982.6585 110.3115 -205678.6125 17461.0243 0.0000 0.0000 34235.1311 -149077.0312 298.9839 -183312.1622 -148983.2574 299.6817 -123.0768 -89.0781 559409.8757 -20.0099 -20.1120 PRESSURE: 241400 -117.105 71.2165 -0.878128 71.2168 -61.3888 52.7747 -0.877107 52.7728 -138.979 GPRESSURE: 241400 -97.3763 161.57 -45.3141 -13.4409 9.11182 90.5083 24.8389 44.7983 -137.712 PRESSAVG: 241400 -25.9408 26.0387 13.7074 26.0386 -12.2259 -4.59976 13.7073 -4.59975 46.3446 GPRESSAVG: 241400 -25.9488 26.5673 13.1635 24.8305 -11.7468 -3.25977 17.3172 -3.60226 46.0431 TIMING: 241400 CPU: 701.846, 0.00287598/step Wall: 701.846, 0.00287598/step, 3.80157 hours remaining, 201.906250 MB of memory in use. ENERGY: 241400 742.0213 2081.8017 1994.9699 120.9052 -205872.0830 17692.4298 0.0000 0.0000 34096.6807 -149143.2744 297.7748 -183239.9551 -149050.2729 299.6263 -105.8246 -75.3254 559219.5970 2.7260 2.7825 PRESSURE: 241600 -84.2772 -3.76919 -7.09871 -3.7688 -99.568 40.8446 -7.09829 40.8453 128.876 GPRESSURE: 241600 -42.5196 44.3807 -54.6162 -43.2905 -28.0906 80.9833 -20.2771 83.8628 119.387 PRESSAVG: 241600 19.6184 -31.034 36.1696 -31.034 -18.0022 32.8085 36.1696 32.8086 -18.8482 GPRESSAVG: 241600 19.4975 -31.8718 36.6903 -30.0221 -18.3099 30.8033 35.1582 33.0798 -18.3736 TIMING: 241600 CPU: 702.422, 0.00287679/step Wall: 702.422, 0.00287679/step, 3.80248 hours remaining, 201.906250 MB of memory in use. ENERGY: 241600 782.8202 2016.9041 1969.2124 106.9536 -206246.9403 17896.7623 0.0000 0.0000 34244.5115 -149229.7762 299.0658 -183474.2877 -149138.0833 298.7734 -18.3232 16.2590 557446.7040 -5.7440 -5.7287 PRESSURE: 241800 72.5537 37.315 -67.359 37.3143 -389.4 -1.58427 -67.36 -1.58539 -15.1431 GPRESSURE: 241800 17.9307 -43.4197 -1.02914 91.845 -279.122 -103.42 -95.0101 11.7502 28.9302 PRESSAVG: 241800 -15.6697 36.7203 -40.4222 36.7203 -4.03395 17.524 -40.4223 17.524 17.3537 GPRESSAVG: 241800 -15.6491 36.2703 -41.7188 37.172 -4.05456 18.4853 -40.0277 16.9663 16.9971 TIMING: 241800 CPU: 702.996, 0.00287025/step Wall: 702.996, 0.00287025/step, 3.79367 hours remaining, 201.906250 MB of memory in use. ENERGY: 241800 755.3554 2038.0053 1981.4594 122.4541 -206477.2691 17810.7537 0.0000 0.0000 34497.7235 -149271.5177 301.2772 -183769.2412 -149171.7173 299.3490 -110.6632 -77.4204 557016.1836 -0.7833 -0.9022 PRESSURE: 242000 41.3366 13.5537 115.987 13.554 -103.128 -130.839 115.988 -130.838 -14.0888 GPRESSURE: 242000 47.9701 68.0443 106.94 31.7799 -33.5429 -143.379 141.958 -133.412 17.0706 PRESSAVG: 242000 -38.5529 -3.8844 -86.224 -3.88434 -0.375364 25.1037 -86.2241 25.1038 38.2295 GPRESSAVG: 242000 -39.2721 -1.83943 -84.8164 -4.06615 0.535463 21.9671 -87.214 24.968 37.6421 TIMING: 242000 CPU: 703.574, 0.00289214/step Wall: 703.574, 0.00289214/step, 3.82244 hours remaining, 201.906250 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: 242000 741.2536 2087.5263 1974.5736 111.2852 -206243.7148 17728.0825 0.0000 0.0000 34246.2094 -149354.7841 299.0807 -183600.9936 -149262.2732 298.5778 -25.2935 10.4992 556455.6419 -0.2329 -0.3648 PRESSURE: 242200 -53.8266 8.94283 -13.335 8.94303 -178.919 88.2242 -13.3372 88.2235 -300.475 GPRESSURE: 242200 5.81038 44.5114 -84.285 8.2303 -226.018 233.193 12.1754 -14.7727 -216.05 PRESSAVG: 242200 11.3501 -20.0684 -32.5557 -20.0683 12.7503 -9.51338 -32.5557 -9.5134 -2.98205 GPRESSAVG: 242200 12.7018 -20.6914 -31.6173 -20.1162 11.8522 -7.66897 -32.5245 -10.0218 -3.05633 TIMING: 242200 CPU: 704.153, 0.0028972/step Wall: 704.153, 0.0028972/step, 3.82898 hours remaining, 201.906250 MB of memory in use. ENERGY: 242200 738.3161 2102.5849 1974.8066 108.9747 -206093.9819 17535.6414 0.0000 0.0000 34344.4390 -149289.2192 299.9385 -183633.6582 -149184.9039 299.0751 -177.7402 -145.4192 556301.2470 7.0394 7.1659 PRESSURE: 242400 -266.975 -40.9314 46.4602 -40.9317 -314.285 -63.4048 46.4607 -63.405 -202.583 GPRESSURE: 242400 -211.586 -96.3254 -28.8357 36.0029 -277.487 -15.8237 110.013 -41.5075 -195.708 PRESSAVG: 242400 3.51496 -61.7426 21.8399 -61.7425 45.7181 19.5152 21.8399 19.5153 -30.6791 GPRESSAVG: 242400 4.22599 -62.0275 22.8887 -61.3985 45.8023 17.9742 20.4748 22.5972 -31.2301 TIMING: 242400 CPU: 704.736, 0.00291326/step Wall: 704.736, 0.00291326/step, 3.85003 hours remaining, 201.906250 MB of memory in use. ENERGY: 242400 761.4245 2062.8447 1980.6252 102.5795 -205621.1878 17242.3492 0.0000 0.0000 34191.9236 -149279.4413 298.6066 -183471.3649 -149181.9323 298.2466 -261.2809 -228.2605 557259.4182 6.1846 6.2661 PRESSURE: 242600 -246.778 0.859977 -58.2633 0.859175 -61.234 35.9438 -58.263 35.9435 -123.436 GPRESSURE: 242600 -201.546 -93.3793 92.7548 30.5638 -28.1259 37.7828 -52.308 -6.06604 -103.801 PRESSAVG: 242600 -8.25721 -15.2533 57.9611 -15.2532 6.7018 30.6773 57.961 30.6773 11.3266 GPRESSAVG: 242600 -8.56678 -15.8071 58.4771 -14.1996 6.40496 30.6431 58.0613 28.34 11.9083 TIMING: 242600 CPU: 705.314, 0.00288916/step Wall: 705.314, 0.00288916/step, 3.81803 hours remaining, 201.906250 MB of memory in use. ENERGY: 242600 735.3645 2088.6346 2006.1841 123.6694 -205771.0694 17500.2493 0.0000 0.0000 34262.7363 -149054.2313 299.2250 -183316.9676 -148959.1750 299.8294 -143.8160 -111.1578 558020.2937 3.2571 3.2488 PRESSURE: 242800 215.053 -18.822 -81.7537 -18.8207 115.317 -38.0113 -81.7546 -38.0126 -161.883 GPRESSURE: 242800 203.584 -43.1989 -73.0727 -7.99798 165.836 7.54336 -28.9472 -50.9916 -112.347 PRESSAVG: 242800 -15.6578 -37.1927 -16.5487 -37.1927 41.0194 35.2341 -16.5487 35.234 -68.1234 GPRESSAVG: 242800 -15.9767 -36.1803 -18.1763 -38.6136 41.6947 36.1372 -16.8401 35.2266 -68.2055 TIMING: 242800 CPU: 705.889, 0.00287582/step Wall: 705.889, 0.00287582/step, 3.80023 hours remaining, 201.906250 MB of memory in use. ENERGY: 242800 699.4489 2123.8359 1951.4135 100.8648 -206482.0493 17964.0416 0.0000 0.0000 34496.9044 -149145.5402 301.2700 -183642.4445 -149045.4647 299.7664 56.1622 85.6908 557851.6462 -14.2540 -14.1625 PRESSURE: 243000 -104.56 -57.5711 216.564 -57.5719 -235.777 5.86491 216.563 5.86454 -77.8995 GPRESSURE: 243000 -92.2948 -213.877 195.601 65.0519 -198.275 33.7524 190.597 -22.5756 -21.776 PRESSAVG: 243000 -42.4686 -39.6669 13.0372 -39.6669 63.6022 69.3446 13.0371 69.3445 -46.7495 GPRESSAVG: 243000 -42.6042 -41.4922 13.4772 -37.8486 62.9771 70.2178 13.7226 67.1092 -45.9348 TIMING: 243000 CPU: 706.465, 0.00287841/step Wall: 706.465, 0.00287841/step, 3.8035 hours remaining, 201.906250 MB of memory in use. ENERGY: 243000 746.0279 2105.5859 1969.8709 110.9529 -206277.5081 17649.2374 0.0000 0.0000 34447.9104 -149247.9227 300.8422 -183695.8331 -149148.4900 299.7797 -139.4123 -104.1153 557847.8473 -8.5386 -8.5207 PRESSURE: 243200 -268.912 53.357 -53.9785 53.3577 -211.309 86.573 -53.9785 86.572 -24.9133 GPRESSURE: 243200 -252.091 101.002 -50.7864 -8.63301 -134.121 22.2776 -4.86765 152.606 -31.0946 PRESSAVG: 243200 -39.6052 -50.1925 49.0043 -50.1925 51.5583 -35.6068 49.0043 -35.6068 -20.7823 GPRESSAVG: 243200 -39.4281 -48.4672 47.1249 -52.2549 51.9007 -36.8069 50.5519 -32.303 -21.0346 TIMING: 243200 CPU: 707.043, 0.0028897/step Wall: 707.043, 0.0028897/step, 3.81826 hours remaining, 201.906250 MB of memory in use. ENERGY: 243200 753.5561 2143.9633 1974.5596 99.6082 -206086.7047 17563.7217 0.0000 0.0000 34304.9671 -149246.3288 299.5938 -183551.2958 -149144.4194 299.6467 -168.3782 -139.1022 558127.7045 -2.9430 -2.8540 PRESSURE: 243400 -96.4466 -249.721 38.248 -249.72 -112.237 185.604 38.2483 185.605 94.1033 GPRESSURE: 243400 -48.6143 -198.248 -9.95958 -268.108 -84.9191 178.596 46.0182 178.223 104.08 PRESSAVG: 243400 -3.6944 -38.8219 -20.5124 -38.8219 13.6584 -1.64665 -20.5125 -1.64674 30.0602 GPRESSAVG: 243400 -3.07177 -40.6221 -20.669 -37.1629 13.6048 0.349874 -23.5409 -0.664344 29.4804 TIMING: 243400 CPU: 707.621, 0.00289324/step Wall: 707.621, 0.00289324/step, 3.82278 hours remaining, 201.906250 MB of memory in use. ENERGY: 243400 784.6876 2105.3803 1988.1750 123.1929 -206364.9708 17863.2772 0.0000 0.0000 34220.8632 -149279.3946 298.8593 -183500.2578 -149194.0055 299.1813 -38.1936 -9.8178 558034.4044 13.3414 13.3378 PRESSURE: 243600 -31.3846 80.5618 69.3623 80.5628 74.3013 81.0373 69.3617 81.0372 -82.1775 GPRESSURE: 243600 32.2169 99.6009 56.7065 24.5308 46.9683 14.4531 80.9295 113.861 -26.1349 PRESSAVG: 243600 -4.60034 18.7963 -38.0259 18.7963 13.3659 59.9016 -38.026 59.9016 -13.7699 GPRESSAVG: 243600 -3.83365 20.8702 -35.7908 16.6011 12.9921 59.4184 -37.1946 58.678 -13.7585 TIMING: 243600 CPU: 708.201, 0.00289749/step Wall: 708.201, 0.00289749/step, 3.82823 hours remaining, 201.906250 MB of memory in use. ENERGY: 243600 759.8242 2063.2978 1991.5701 94.0701 -206308.3664 17958.8459 0.0000 0.0000 34319.2292 -149121.5292 299.7184 -183440.7584 -149025.7109 299.6363 -13.0869 17.6834 557740.1788 -1.6681 -1.5333 PRESSURE: 243800 -24.6749 76.1579 54.7598 76.1585 84.7552 -112.051 54.759 -112.051 159.154 GPRESSURE: 243800 3.04637 95.0543 32.3066 112.85 133.611 -135.331 30.4529 -82.3085 187.132 PRESSAVG: 243800 -29.2648 1.13657 4.13597 1.13656 24.7004 28.8138 4.13593 28.8139 -0.349199 GPRESSAVG: 243800 -29.872 2.80893 2.33045 0.763571 25.0126 28.4257 5.14777 30.1464 0.128662 TIMING: 243800 CPU: 708.778, 0.00288823/step Wall: 708.778, 0.00288823/step, 3.81583 hours remaining, 201.906250 MB of memory in use. ENERGY: 243800 738.3847 2091.3773 1982.6587 121.2268 -206296.8109 18007.2830 0.0000 0.0000 34197.0528 -149158.8275 298.6514 -183355.8804 -149061.7554 299.4820 73.0782 107.9298 557530.1238 -1.6379 -1.5769 PRESSURE: 244000 -87.4596 18.1743 -18.1022 18.1733 -79.05 312.543 -18.1023 312.544 -367.86 GPRESSURE: 244000 -40.9563 -26.0476 -55.7072 12.3602 -89.747 184.758 -12.7342 391.878 -307.223 PRESSAVG: 244000 -24.4892 18.8208 -12.9799 18.8208 17.726 33.5294 -12.9798 33.5294 1.22609 GPRESSAVG: 244000 -25.6537 17.1723 -13.2582 17.0018 18.414 33.7168 -13.5893 34.44 1.8792 TIMING: 244000 CPU: 709.352, 0.00286554/step Wall: 709.352, 0.00286554/step, 3.7857 hours remaining, 201.906250 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: 244000 760.2967 2049.6666 1953.9515 119.0461 -206140.8725 17691.6841 0.0000 0.0000 34319.4756 -149246.7519 299.7205 -183566.2274 -149143.7658 299.0082 -178.1231 -145.9753 558555.8970 -1.8457 -1.7868 PRESSURE: 244200 -7.95585 164.224 140.897 164.223 -237.301 -2.03229 140.896 -2.03011 -119.326 GPRESSURE: 244200 19.2867 128 161.789 201.426 -187.226 0.847789 42.0021 38.6475 -94.9745 PRESSAVG: 244200 -91.1848 -8.63102 34.3171 -8.63106 43.0214 -14.8942 34.317 -14.8942 56.7898 GPRESSAVG: 244200 -89.3259 -7.3189 35.4476 -7.73706 43.2995 -14.3955 34.0199 -16.2839 55.2024 TIMING: 244200 CPU: 709.93, 0.0028901/step Wall: 709.93, 0.0028901/step, 3.81799 hours remaining, 201.906250 MB of memory in use. ENERGY: 244200 724.6989 2068.1200 1983.9039 115.5392 -205718.1210 17418.3507 0.0000 0.0000 34310.3663 -149097.1421 299.6410 -183407.5084 -148998.4984 299.1657 -121.5274 -87.6379 557245.7486 2.8755 3.0587 LDB: ============= START OF LOAD BALANCING ============== 713.393 LDB: ============== END OF LOAD BALANCING =============== 713.393 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 713.394 LDB: ============= START OF LOAD BALANCING ============== 713.683 LDB: Largest compute 4820 load 0.027825 is 23.7% of average load 0.117377 LDB: Average compute 0.001739 is 1.5% of average load 0.117377 LDB: TIME 713.685 LOAD: AVG 0.117377 MAX 0.178068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.035 MB LDB: TIME 713.685 LOAD: AVG 0.117377 MAX 0.178068 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.098 MB LDB: TIME 713.686 LOAD: AVG 0.117377 MAX 0.178068 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 713.687 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 713.691 PRESSURE: 244400 -317.698 -236.28 -87.2442 -236.28 -186.16 -36.5986 -87.2443 -36.5983 -134.133 GPRESSURE: 244400 -296.878 -211.861 -97.9081 -230.664 -157.036 -55.8467 -121.027 29.9138 -86.0431 PRESSAVG: 244400 -40.3418 -19.8119 6.63606 -19.8119 0.88842 -36.2701 6.63613 -36.2701 77.7523 GPRESSAVG: 244400 -40.3534 -19.1534 6.35899 -19.5451 -0.639414 -37.8122 5.91251 -35.1114 78.7543 TIMING: 244400 CPU: 710.516, 0.00293143/step Wall: 710.516, 0.00293143/step, 3.87242 hours remaining, 201.054688 MB of memory in use. ENERGY: 244400 769.4113 2035.4030 1963.6578 118.8033 -205545.9750 17350.6243 0.0000 0.0000 34185.5262 -149122.5492 298.5507 -183308.0754 -149021.4210 299.7639 -212.6636 -179.9857 557610.4647 12.7663 12.5872 PRESSURE: 244600 -133.651 2.00807 58.1979 2.00707 -27.9166 82.6822 58.1987 82.6816 -26.9779 GPRESSURE: 244600 -107.488 -8.41341 106.605 44.6557 10.3908 79.8065 -15.8151 63.6408 2.13013 PRESSAVG: 244600 -80.4474 -48.8127 -13.7123 -48.8128 35.1749 -14.6403 -13.7122 -14.6402 72.5719 GPRESSAVG: 244600 -81.0055 -50.5833 -13.7761 -48.1456 37.7554 -14.923 -13.5661 -15.2663 70.7005 TIMING: 244600 CPU: 711.093, 0.00288733/step Wall: 711.093, 0.00288733/step, 3.814 hours remaining, 201.257812 MB of memory in use. ENERGY: 244600 749.2792 2087.2672 1989.9421 121.4939 -205838.1611 17671.8340 0.0000 0.0000 34118.6068 -149099.7379 297.9663 -183218.3447 -149006.2817 298.8465 -62.8487 -31.6556 557393.3816 9.0998 9.1501 PRESSURE: 244800 -187.636 -42.1279 -3.12774 -42.128 -304.838 11.9488 -3.12715 11.9486 -135.564 GPRESSURE: 244800 -123.686 -41.8851 -55.9261 12.579 -235.37 -7.20584 -16.9943 18.6471 -168.474 PRESSAVG: 244800 -34.4482 14.9575 -5.82589 14.9575 68.0375 -36.2634 -5.82592 -36.2633 -29.5309 GPRESSAVG: 244800 -33.6711 15.1115 -5.16852 16.1171 66.0592 -35.1848 -6.39213 -36.5611 -28.5774 TIMING: 244800 CPU: 711.668, 0.00287547/step Wall: 711.668, 0.00287547/step, 3.79818 hours remaining, 201.296875 MB of memory in use. ENERGY: 244800 743.9318 2041.4122 1971.3222 104.0658 -205823.0403 17602.3887 0.0000 0.0000 34278.6804 -149081.2390 299.3642 -183359.9195 -148984.8021 299.4303 -209.3459 -175.8433 558191.4385 1.3528 1.2702 PRESSURE: 245000 -104.705 -136.158 -145.304 -136.158 58.835 -97.1085 -145.305 -97.1076 -137.177 GPRESSURE: 245000 -53.2218 -135.485 -136.321 -33.4793 91.092 -119.363 -199.567 26.8529 -121.769 PRESSAVG: 245000 -6.72027 7.45741 -118.71 7.45742 66.615 -8.32655 -118.71 -8.32643 -46.546 GPRESSAVG: 245000 -6.57129 8.14439 -120.151 6.62061 66.8464 -7.61487 -116.856 -9.39964 -47.2394 TIMING: 245000 CPU: 712.244, 0.00287893/step Wall: 712.244, 0.00287893/step, 3.80259 hours remaining, 201.296875 MB of memory in use. ENERGY: 245000 727.2028 2097.0276 1981.9253 119.4007 -206033.0892 17787.0882 0.0000 0.0000 34037.4886 -149282.9559 297.2579 -183320.4445 -149182.0785 299.1490 -61.0157 -27.9664 557410.0930 4.4496 4.3452 PRESSURE: 245200 -153.478 153.032 95.0951 153.032 78.8015 -216.613 95.095 -216.612 -137.721 GPRESSURE: 245200 -54.3248 108.617 98.1697 172.48 73.8003 -128.282 163.798 -244.275 -129.68 PRESSAVG: 245200 -37.9331 -17.845 -12.3102 -17.8449 105.73 -48.5283 -12.3102 -48.5281 -50.4018 GPRESSAVG: 245200 -37.7913 -16.2157 -10.674 -18.7435 105.306 -47.5722 -12.7889 -47.1244 -50.215 TIMING: 245200 CPU: 712.821, 0.00288313/step Wall: 712.821, 0.00288313/step, 3.80798 hours remaining, 201.375000 MB of memory in use. ENERGY: 245200 727.3883 2105.9773 1978.3810 105.2170 -206027.6937 17555.5532 0.0000 0.0000 34282.0993 -149273.0776 299.3941 -183555.1769 -149171.1068 298.6153 -70.7993 -36.7350 557229.2146 5.7984 5.7667 PRESSURE: 245400 -61.8068 -20.3839 197.705 -20.3841 -163.851 273.415 197.707 273.415 212.493 GPRESSURE: 245400 -92.9849 -68.4788 131.951 -20.4533 -50.8025 340.183 186.454 225.415 212.368 PRESSAVG: 245400 -4.312 -14.9986 46.1508 -14.9986 29.2389 -69.4822 46.1508 -69.4822 -0.782022 GPRESSAVG: 245400 -4.57546 -16.8717 46.2315 -11.9352 30.7707 -70.6347 45.3959 -67.9178 -1.65808 TIMING: 245400 CPU: 713.393, 0.00285984/step Wall: 713.393, 0.00285984/step, 3.77705 hours remaining, 201.375000 MB of memory in use. ENERGY: 245400 712.7531 2077.0156 1952.9330 114.5136 -205947.1091 17728.2119 0.0000 0.0000 34147.6746 -149214.0073 298.2201 -183361.6819 -149117.5612 298.1584 -4.3883 22.8601 558640.4684 8.0483 8.1791 PRESSURE: 245600 -153.318 69.8527 71.8236 69.8516 25.9743 43.0642 71.8231 43.0653 133.674 GPRESSURE: 245600 -89.5281 129.5 71.1357 96.9578 36.5798 15.9211 97.4966 41.5339 165.038 PRESSAVG: 245600 -35.9487 10.231 -10.1644 10.2309 88.6667 -15.5726 -10.1646 -15.5725 -28.8609 GPRESSAVG: 245600 -36.2184 12.9004 -12.6965 4.94303 88.9636 -15.4512 -8.79945 -17.4533 -28.5423 TIMING: 245600 CPU: 713.971, 0.00289119/step Wall: 713.971, 0.00289119/step, 3.8183 hours remaining, 201.375000 MB of memory in use. ENERGY: 245600 715.4963 2106.4321 1960.5491 120.8506 -206328.6039 17885.1097 0.0000 0.0000 34165.2977 -149374.8683 298.3740 -183540.1660 -149281.5136 298.4506 2.1102 37.3634 559717.8878 7.9524 8.0676 PRESSURE: 245800 -77.4934 182.018 -100.484 182.018 -151.288 0.171017 -100.485 0.171132 -216.345 GPRESSURE: 245800 1.1777 154.939 -113.184 214.292 -123.591 -3.9848 -70.213 -72.8951 -209.046 PRESSAVG: 245800 -0.574434 9.36513 14.0235 9.3652 -15.1674 60.577 14.0235 60.5771 -17.232 GPRESSAVG: 245800 0.370382 8.5792 16.5731 11.8341 -16.007 59.7135 13.2967 59.8481 -17.4914 TIMING: 245800 CPU: 714.549, 0.00288841/step Wall: 714.549, 0.00288841/step, 3.81446 hours remaining, 201.375000 MB of memory in use. ENERGY: 245800 743.8963 2073.5741 1987.4084 113.1498 -206258.1952 17815.6626 0.0000 0.0000 34063.6149 -149460.8892 297.4860 -183524.5041 -149365.2344 298.7438 -148.3756 -110.4863 559220.5281 -10.9913 -11.0427 PRESSURE: 246000 -35.4273 -150.09 91.168 -150.092 -125.729 -67.6704 91.1695 -67.6732 -58.472 GPRESSURE: 246000 17.427 -123.389 -5.86826 -104.673 -102.189 -170.313 109.887 20.4917 -30.1685 PRESSAVG: 246000 61.9463 27.5628 22.5692 27.5628 12.6105 -22.6266 22.5693 -22.6265 -40.3056 GPRESSAVG: 246000 60.2864 25.5836 23.7479 27.7836 13.6867 -23.8732 20.8597 -23.3574 -40.349 TIMING: 246000 CPU: 715.126, 0.00288767/step Wall: 715.126, 0.00288767/step, 3.81332 hours remaining, 201.433594 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: 246000 767.8693 2066.3121 1965.7737 100.9795 -206401.9333 17842.9564 0.0000 0.0000 34205.5851 -149452.4573 298.7259 -183658.0425 -149360.0634 298.3480 -73.2093 -38.3102 557525.0074 11.4171 11.2080 PRESSURE: 246200 26.3142 186.826 -57.1898 186.826 -24.8395 0.488459 -57.1905 0.487815 -149.185 GPRESSURE: 246200 38.0903 196.896 -86.8 174.644 -30.7059 -49.4803 35.4424 -5.72944 -56.0548 PRESSAVG: 246200 20.4192 41.1496 5.67465 41.1497 80.6891 -37.2712 5.67474 -37.2712 -86.0774 GPRESSAVG: 246200 21.5067 40.9038 4.56507 42.8409 79.0495 -35.0365 6.93142 -35.904 -85.72 TIMING: 246200 CPU: 715.701, 0.00287457/step Wall: 715.701, 0.00287457/step, 3.79588 hours remaining, 201.433594 MB of memory in use. ENERGY: 246200 742.8024 2088.9794 1964.4705 113.0524 -206391.3303 17737.1253 0.0000 0.0000 34281.5279 -149463.3723 299.3891 -183744.9002 -149363.6742 298.4452 -49.2368 -16.2235 556510.2224 5.0103 4.9454 PRESSURE: 246400 2.79142 -89.0771 -188.535 -89.0779 54.2411 102.7 -188.535 102.699 71.0976 GPRESSURE: 246400 80.6966 -93.0469 -177.051 -48.6678 82.7932 0.626783 -189.024 104.109 63.6056 PRESSAVG: 246400 40.8686 14.6638 -7.56866 14.6637 -14.4116 11.9949 -7.56879 11.9948 -19.7232 GPRESSAVG: 246400 39.5872 15.1371 -8.64386 14.3003 -14.2616 11.0829 -8.95959 13.3935 -18.8647 TIMING: 246400 CPU: 716.278, 0.00288478/step Wall: 716.278, 0.00288478/step, 3.80919 hours remaining, 201.433594 MB of memory in use. ENERGY: 246400 747.9523 2082.0018 1978.9671 116.0633 -206457.0387 17953.4765 0.0000 0.0000 34082.2021 -149496.3757 297.6483 -183578.5778 -149416.6568 298.3380 42.7100 75.6985 556790.6740 2.2446 2.1536 PRESSURE: 246600 -64.8438 6.20727 56.7488 6.20778 -310.029 27.0118 56.7489 27.0122 -185.527 GPRESSURE: 246600 -33.4994 76.8656 89.7314 -77.1373 -294.464 3.79515 25.7984 38.9792 -126.235 PRESSAVG: 246600 -14.5996 22.2598 -53.8699 22.2598 22.95 40.512 -53.8699 40.512 -23.1523 GPRESSAVG: 246600 -13.3092 24.0799 -52.5123 19.5244 23.1636 39.3375 -52.7679 40.7685 -24.2044 TIMING: 246600 CPU: 716.852, 0.00286921/step Wall: 716.852, 0.00286921/step, 3.78848 hours remaining, 201.433594 MB of memory in use. ENERGY: 246600 722.4187 2050.8935 1969.8731 107.3609 -206224.0425 17603.0274 0.0000 0.0000 34299.5672 -149470.9018 299.5467 -183770.4689 -149364.0004 297.8858 -186.8000 -151.3993 557415.8219 -4.9339 -4.7834 PRESSURE: 246800 -14.6393 52.2509 89.2321 52.2494 -111.213 135.396 89.2333 135.395 -44.5925 GPRESSURE: 246800 64.1532 140.044 112.75 48.1202 -122.303 136.95 136.589 110.411 -14.444 PRESSAVG: 246800 5.08221 15.824 -14.3291 15.824 -20.4584 -13.1088 -14.3291 -13.1087 39.9904 GPRESSAVG: 246800 4.04257 13.6201 -13.0761 19.3045 -20.4942 -13.4296 -14.4785 -13.669 41.3003 TIMING: 246800 CPU: 717.43, 0.00288876/step Wall: 717.43, 0.00288876/step, 3.81413 hours remaining, 201.433594 MB of memory in use. ENERGY: 246800 759.4162 2079.5571 1985.7786 118.9194 -206094.9875 17645.9916 0.0000 0.0000 34131.9518 -149373.3728 298.0828 -183505.3246 -149271.0727 298.2468 -56.8151 -24.1980 557228.2194 8.2047 8.2829 PRESSURE: 247000 106.046 38.9064 -262.666 38.9059 108.593 -27.9202 -262.667 -27.9196 -16.992 GPRESSURE: 247000 178.115 19.7765 -321.642 14.0258 56.4394 -96.2641 -321.682 67.9679 52.2858 PRESSAVG: 247000 -58.8589 -21.7718 -64.3609 -21.7717 -12.7513 47.609 -64.3611 47.6091 44.495 GPRESSAVG: 247000 -57.8111 -22.3337 -67.1536 -23.1809 -13.69 49.1487 -64.006 47.0648 44.1952 TIMING: 247000 CPU: 718.007, 0.00288634/step Wall: 718.007, 0.00288634/step, 3.81077 hours remaining, 201.433594 MB of memory in use. ENERGY: 247000 746.8180 2086.0483 1945.8984 115.9252 -206403.7112 17890.1439 0.0000 0.0000 34391.8751 -149227.0023 300.3528 -183618.8774 -149125.9616 299.3597 65.8823 95.6134 556323.7081 -9.0384 -9.1020 PRESSURE: 247200 10.1614 -93.892 -50.9517 -93.8925 24.3859 65.2209 -50.9516 65.2211 75.42 GPRESSURE: 247200 52.1653 -135.442 -129.025 -51.186 103.992 82.5041 3.94021 -54.023 39.1755 PRESSAVG: 247200 94.1897 -29.7939 -59.3734 -29.794 -34.6545 -24.1659 -59.3735 -24.166 11.2113 GPRESSAVG: 247200 93.6823 -29.3687 -58.8077 -31.434 -33.7026 -24.2829 -58.7399 -25.5471 10.9585 TIMING: 247200 CPU: 718.584, 0.0028867/step Wall: 718.584, 0.0028867/step, 3.81109 hours remaining, 201.433594 MB of memory in use. ENERGY: 247200 769.3415 2044.2177 1953.9906 134.3075 -206006.0011 17733.3221 0.0000 0.0000 34171.1609 -149199.6608 298.4252 -183370.8217 -149098.7454 298.7126 36.6557 65.1109 557262.3042 23.5822 23.6461 PRESSURE: 247400 -92.9943 89.5459 -128.006 89.5476 -276.893 -71.7029 -128.007 -71.7025 -99.4257 GPRESSURE: 247400 -49.5846 72.3213 -220.171 55.363 -241.795 -177.039 -90.3649 -41.4283 -76.1722 PRESSAVG: 247400 77.161 -22.1702 -78.817 -22.1702 5.36411 0.00427653 -78.817 0.00434748 -49.4234 GPRESSAVG: 247400 77.3142 -20.2834 -78.0672 -22.736 5.89301 -1.00699 -79.3033 0.955457 -49.8621 TIMING: 247400 CPU: 719.165, 0.00290147/step Wall: 719.165, 0.00290147/step, 3.83042 hours remaining, 201.433594 MB of memory in use. ENERGY: 247400 762.4676 2049.7098 1992.8599 109.8735 -205776.7657 17475.0123 0.0000 0.0000 34166.2411 -149220.6015 298.3823 -183386.8426 -149124.9774 299.3302 -156.4375 -122.5174 557890.1978 11.0339 11.1151 PRESSURE: 247600 -5.32157 73.0593 57.4013 73.0604 -280.338 9.82152 57.401 9.82072 -64.6916 GPRESSURE: 247600 44.2616 73.858 36.357 141.007 -216.459 20.3484 91.6886 55.0961 -78.9982 PRESSAVG: 247600 67.2818 -20.7967 -29.3137 -20.7967 -49.4226 -51.8355 -29.3138 -51.8356 -2.99443 GPRESSAVG: 247600 66.8819 -20.8674 -27.8973 -19.5952 -49.25 -50.0012 -29.6931 -50.2425 -2.63721 TIMING: 247600 CPU: 719.743, 0.00289018/step Wall: 719.743, 0.00289018/step, 3.81536 hours remaining, 201.433594 MB of memory in use. ENERGY: 247600 757.5246 2111.9776 1963.1971 122.7875 -206459.2142 17895.1078 0.0000 0.0000 34279.5548 -149329.0647 299.3719 -183608.6195 -149232.3988 298.6910 -116.7836 -83.7318 556590.9851 4.9549 4.9982 PRESSURE: 247800 -237.253 -127.436 -30.67 -127.437 -307.251 62.4886 -30.6699 62.4892 -414.128 GPRESSURE: 247800 -179.413 -145.86 -86.9075 -138.855 -275.345 47.0532 33.1122 35.3457 -403.789 PRESSAVG: 247800 53.28 35.8825 -55.1038 35.8825 16.5789 -48.7384 -55.1037 -48.7385 -36.3446 GPRESSAVG: 247800 55.2713 34.6811 -56.3508 35.3861 15.6409 -50.9927 -55.3069 -47.5152 -36.9008 TIMING: 247800 CPU: 720.319, 0.00287958/step Wall: 720.319, 0.00287958/step, 3.80121 hours remaining, 201.433594 MB of memory in use. ENERGY: 247800 740.6781 2074.0909 1968.7823 130.6740 -205572.9618 17188.8844 0.0000 0.0000 34325.6378 -149144.2144 299.7743 -183469.8522 -149056.8646 298.8983 -319.5437 -286.1824 558088.8897 11.1714 11.3371 PRESSURE: 248000 145.704 -2.2714 -102.253 -2.27074 -66.0501 -21.6921 -102.253 -21.6903 53.4229 GPRESSURE: 248000 142.939 87.4534 -26.6223 -91.0834 -43.6877 -45.5234 -133.972 -17.3034 116.2 PRESSAVG: 248000 -3.85994 -78.9313 33.4386 -78.9314 -25.8384 -33.1792 33.4386 -33.1792 25.0618 GPRESSAVG: 248000 -4.28711 -77.191 33.3561 -79.8841 -27.1585 -32.2488 33.2757 -35.7897 26.0862 TIMING: 248000 CPU: 720.896, 0.00288827/step Wall: 720.896, 0.00288827/step, 3.81252 hours remaining, 201.433594 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: 248000 732.7667 2058.7545 2023.1303 103.4863 -206346.8669 17865.0736 0.0000 0.0000 34305.4623 -149258.1932 299.5981 -183563.6555 -149155.2991 298.9506 44.3589 71.8174 556363.4631 -1.5455 -1.7865 PRESSURE: 248200 144.03 177.73 -83.5051 177.731 273.831 31.4603 -83.5037 31.4621 227.614 GPRESSURE: 248200 192.65 90.8025 -57.2404 175.78 258.905 -38.2115 -62.9517 67.5583 280.809 PRESSAVG: 248200 -36.1536 -11.7944 -32.4863 -11.7943 35.7779 0.474297 -32.4863 0.474321 0.837732 GPRESSAVG: 248200 -35.4586 -11.9256 -32.7762 -10.7579 35.9399 0.134074 -30.268 1.51536 0.878316 TIMING: 248200 CPU: 721.482, 0.00292794/step Wall: 721.482, 0.00292794/step, 3.86471 hours remaining, 201.433594 MB of memory in use. ENERGY: 248200 717.6968 2089.4026 1970.7248 123.5626 -206293.6455 18015.0148 0.0000 0.0000 34147.1938 -149230.0502 298.2159 -183377.2439 -149139.2953 298.8748 215.1584 244.1214 556599.3271 0.1540 0.4532 LDB: ============= START OF LOAD BALANCING ============== 724.946 LDB: ============== END OF LOAD BALANCING =============== 724.946 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 724.948 LDB: ============= START OF LOAD BALANCING ============== 725.239 LDB: Largest compute 4820 load 0.031179 is 26.6% of average load 0.117351 LDB: Average compute 0.001740 is 1.5% of average load 0.117351 LDB: TIME 725.242 LOAD: AVG 0.117351 MAX 0.177146 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.906 MB LDB: TIME 725.242 LOAD: AVG 0.117351 MAX 0.177146 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.977 MB LDB: TIME 725.242 LOAD: AVG 0.117351 MAX 0.177146 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 725.245 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 725.249 PRESSURE: 248400 89.707 71.8121 126.454 71.8141 66.2749 -16.5922 126.453 -16.5917 116.618 GPRESSURE: 248400 162.692 84.8477 120.775 12.7393 120.514 -98.4066 158.736 -18.9879 90.4023 PRESSAVG: 248400 10.0228 85.5621 19.2249 85.5621 88.6372 21.2782 19.2249 21.2781 -21.6843 GPRESSAVG: 248400 8.91471 81.8117 20.2341 88.4199 89.8888 20.231 17.1706 22.0601 -21.8188 TIMING: 248400 CPU: 722.073, 0.00295712/step Wall: 722.073, 0.00295712/step, 3.90306 hours remaining, 202.605469 MB of memory in use. ENERGY: 248400 716.7437 2080.7707 1999.9530 105.3326 -206072.6453 17765.7174 0.0000 0.0000 34304.2383 -149099.8896 299.5874 -183404.1279 -149003.8206 299.7714 90.8667 124.5359 556745.9629 25.6586 25.6616 PRESSURE: 248600 46.4469 20.3866 119.698 20.3885 -75.4326 68.4562 119.698 68.4576 -92.4555 GPRESSURE: 248600 81.4383 16.8846 4.32829 44.2701 -10.5456 77.0118 185.438 -12.8469 -98.1318 PRESSAVG: 248600 -58.4535 11.7379 -25.8215 11.7379 56.5334 -17.1315 -25.8214 -17.1314 -20.9175 GPRESSAVG: 248600 -58.7112 14.8722 -29.3525 8.4174 57.9364 -15.7165 -24.2736 -19.3534 -22.5106 TIMING: 248600 CPU: 722.654, 0.00290434/step Wall: 722.654, 0.00290434/step, 3.83324 hours remaining, 202.867188 MB of memory in use. ENERGY: 248600 788.2931 2082.0193 1975.5712 116.1663 -206206.2446 17825.2720 0.0000 0.0000 34276.9132 -149142.0094 299.3488 -183418.9226 -149041.8347 299.6782 -40.4804 -9.0797 556760.5139 -7.6126 -7.7618 PRESSURE: 248800 -174.747 -144.015 -88.8308 -144.014 -151.146 -10.4448 -88.831 -10.4442 -197.238 GPRESSURE: 248800 -158.75 -43.2212 54.5509 -142.251 -149.622 -41.6744 -47.5656 21.5519 -116.367 PRESSAVG: 248800 -13.3248 -30.8039 -31.7218 -30.8037 32.1341 15.191 -31.7219 15.191 -7.41058 GPRESSAVG: 248800 -12.2204 -32.01 -27.9335 -30.5191 31.4789 15.0316 -33.9806 15.3822 -7.57835 TIMING: 248800 CPU: 723.238, 0.00292156/step Wall: 723.238, 0.00292156/step, 3.85581 hours remaining, 202.867188 MB of memory in use. ENERGY: 248800 731.0119 2068.5714 1960.1554 111.2902 -205905.1000 17516.1711 0.0000 0.0000 34251.6465 -149266.2535 299.1281 -183517.9000 -149164.0468 298.7964 -174.3768 -141.5797 557855.0142 3.7996 3.8934 PRESSURE: 249000 61.4624 100.092 136.967 100.094 -68.2396 22.2133 136.966 22.2143 -169.449 GPRESSURE: 249000 74.2291 174.725 89.4674 68.0137 -31.5635 28.9018 125.377 33.9187 -115.487 PRESSAVG: 249000 39.8349 15.3575 -8.05243 15.3574 -7.40312 -33.3486 -8.05244 -33.3485 -43.8946 GPRESSAVG: 249000 40.3197 15.795 -9.49275 15.8821 -8.71529 -31.6189 -6.18769 -33.2874 -42.6946 TIMING: 249000 CPU: 723.817, 0.00289177/step Wall: 723.817, 0.00289177/step, 3.81634 hours remaining, 202.867188 MB of memory in use. ENERGY: 249000 773.3633 2148.8609 1987.4654 109.3443 -206255.7433 17845.1578 0.0000 0.0000 34134.7092 -149256.8424 298.1069 -183391.5516 -149172.1065 299.7663 -58.7422 -24.2738 556529.8606 -3.8209 -3.6967 PRESSURE: 249200 -215.733 106.587 2.58918 106.587 95.1717 120.841 2.58954 120.841 -129.451 GPRESSURE: 249200 -183.455 36.7596 53.4651 121.437 135.158 166.819 57.2553 79.4563 -112.258 PRESSAVG: 249200 -37.9311 18.4851 11.5279 18.4852 7.53709 6.73413 11.5278 6.73415 -0.984572 GPRESSAVG: 249200 -38.6308 19.6702 11.3808 18.5666 8.09826 4.84924 10.457 6.38935 -0.79285 TIMING: 249200 CPU: 724.393, 0.0028795/step Wall: 724.393, 0.0028795/step, 3.79998 hours remaining, 202.867188 MB of memory in use. ENERGY: 249200 738.8562 2157.2949 1990.6151 119.8229 -206278.9741 17772.6589 0.0000 0.0000 34185.4894 -149314.2365 298.5504 -183499.7259 -149219.4276 299.6878 -83.3375 -53.5183 557267.8061 -10.4595 -10.4418 PRESSURE: 249400 93.5411 -172.598 133.964 -172.598 40.5817 100.957 133.963 100.957 -47.8412 GPRESSURE: 249400 106.314 -130.573 84.3753 -131.437 81.4169 -11.7632 71.5872 247.812 -0.852816 PRESSAVG: 249400 9.69255 -16.1754 12.4694 -16.1755 -30.1274 -32.3328 12.4694 -32.3329 37.287 GPRESSAVG: 249400 10.539 -16.4379 15.558 -14.8904 -29.6801 -31.4821 11.4129 -32.1233 36.1814 TIMING: 249400 CPU: 724.969, 0.00287919/step Wall: 724.969, 0.00287919/step, 3.79941 hours remaining, 202.867188 MB of memory in use. ENERGY: 249400 745.1422 2079.4174 2009.5223 115.7869 -206539.3822 17970.8637 0.0000 0.0000 34232.4390 -149386.2106 298.9604 -183618.6496 -149283.6619 299.3347 28.7605 62.2928 556767.7174 5.6174 5.6801 PRESSURE: 249600 -262.972 91.8362 -107.377 91.8369 -125.244 68.9366 -107.377 68.9374 -13.0602 GPRESSURE: 249600 -269.501 99.488 -108.18 66.9019 -86.8872 -0.658078 -125.582 64.3262 43.2755 PRESSAVG: 249600 34.9085 -18.3236 -25.8725 -18.3236 -31.7398 29.6344 -25.8724 29.6343 -7.73632 GPRESSAVG: 249600 34.6556 -20.0347 -28.1515 -18.862 -32.0808 29.1075 -24.7504 30.5333 -7.43108 TIMING: 249600 CPU: 725.551, 0.00291138/step Wall: 725.551, 0.00291138/step, 3.84173 hours remaining, 202.867188 MB of memory in use. ENERGY: 249600 752.9714 2048.7782 1988.3322 119.6183 -206342.9746 17663.7982 0.0000 0.0000 34248.9713 -149520.5049 299.1048 -183769.4762 -149423.8943 298.6313 -133.7587 -104.3711 557289.9957 -1.5225 -1.6188 PRESSURE: 249800 -34.2725 108.543 118.17 108.544 129.015 -109.689 118.17 -109.691 -141.613 GPRESSURE: 249800 35.3006 139.294 20.1601 132.82 142.472 -172.365 189.207 -115.733 -131.575 PRESSAVG: 249800 21.527 26.9742 10.1176 26.9743 -39.8501 23.8146 10.1177 23.8146 -6.49916 GPRESSAVG: 249800 21.0417 26.8261 10.3292 26.3203 -39.6691 25.5411 10.6764 20.2327 -6.74056 TIMING: 249800 CPU: 726.129, 0.00289013/step Wall: 726.129, 0.00289013/step, 3.81353 hours remaining, 202.867188 MB of memory in use. ENERGY: 249800 741.4453 2135.2186 2015.7709 112.2379 -206322.9958 17848.7945 0.0000 0.0000 34032.0161 -149437.5126 297.2101 -183469.5286 -149343.0396 298.3376 -15.6234 15.3991 557374.3826 -8.2741 -8.4560 PRESSURE: 250000 -218.599 48.4619 99.9909 48.4615 -135.91 77.2221 99.9898 77.2212 -113.401 GPRESSURE: 250000 -171.363 48.5167 109.556 42.2777 -100.732 27.4757 198.576 66.7308 -86.4903 PRESSAVG: 250000 -61.3568 14.1308 -21.3935 14.1308 40.3903 14.1616 -21.3936 14.1616 27.4882 GPRESSAVG: 250000 -60.9594 15.268 -22.0696 15.8757 39.7942 9.69536 -22.0446 17.6574 27.3443 TIMING: 250000 CPU: 726.712, 0.00291508/step Wall: 726.712, 0.00291508/step, 3.84629 hours remaining, 202.867188 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: 250000 728.0752 2123.1498 1990.7000 120.6267 -206091.0020 17552.7282 0.0000 0.0000 34214.4668 -149361.2553 298.8034 -183575.7221 -149256.0904 298.5904 -155.9700 -119.5282 556438.4443 2.1739 2.0597 PRESSURE: 250200 -266.701 65.922 -3.19575 65.9223 -171.264 165.697 -3.19709 165.696 -186.35 GPRESSURE: 250200 -222.766 55.4767 46.4191 -8.55213 -167.96 127.677 -9.667 171.975 -136.143 PRESSAVG: 250200 -43.6071 12.225 34.0042 12.225 81.1746 39.2922 34.0041 39.2922 -41.0559 GPRESSAVG: 250200 -43.8946 11.772 33.7777 10.4551 81.6987 40.927 33.286 38.7362 -40.7263 TIMING: 250200 CPU: 727.295, 0.00291314/step Wall: 727.295, 0.00291314/step, 3.84357 hours remaining, 202.867188 MB of memory in use. ENERGY: 250200 774.9294 2117.3950 1982.7134 124.4004 -206033.9952 17465.5064 0.0000 0.0000 33984.0173 -149585.0332 296.7909 -183569.0505 -149490.2281 298.0827 -208.1049 -175.6230 558137.9385 -1.1628 -0.9740 PRESSURE: 250400 -175.392 56.9591 -124.939 56.9599 -188.339 -4.99108 -124.94 -4.9903 -168.793 GPRESSURE: 250400 -138.548 109.576 -143.103 66.3114 -139.454 34.8217 -84.5472 11.8554 -164.012 PRESSAVG: 250400 -53.2622 28.2109 -11.4353 28.211 -21.9867 -71.2523 -11.4353 -71.2523 42.851 GPRESSAVG: 250400 -53.7301 28.8895 -10.875 28.8388 -21.9906 -70.0217 -10.8391 -71.0467 43.2079 TIMING: 250400 CPU: 727.872, 0.00288604/step Wall: 727.872, 0.00288604/step, 3.80765 hours remaining, 202.867188 MB of memory in use. ENERGY: 250400 778.6673 2119.0156 1969.1121 121.8068 -205990.5789 17659.9300 0.0000 0.0000 33955.9604 -149386.0866 296.5458 -183342.0470 -149296.5713 297.3294 -177.5077 -147.3379 558176.0448 -10.7993 -10.8376 PRESSURE: 250600 -134.081 19.4826 -2.32071 19.482 22.6287 16.9203 -2.32018 16.9217 1.70385 GPRESSURE: 250600 -106.844 86.9081 29.3047 -19.1162 61.2182 19.2807 -79.5126 -10.3212 28.9861 PRESSAVG: 250600 10.6118 28.8307 -62.2668 28.8308 -55.3387 -3.82112 -62.2667 -3.82107 1.15529 GPRESSAVG: 250600 9.7637 27.7648 -63.873 29.3076 -55.4636 -4.11379 -61.6773 -5.08092 2.37305 TIMING: 250600 CPU: 728.451, 0.00289605/step Wall: 728.451, 0.00289605/step, 3.82069 hours remaining, 202.867188 MB of memory in use. ENERGY: 250600 743.9746 2109.6827 1960.0539 114.1389 -206430.3349 18051.8017 0.0000 0.0000 34085.9382 -149364.7447 297.6810 -183450.6829 -149270.2941 298.2396 -36.5827 -5.5467 559880.0274 -14.5239 -14.4423 PRESSURE: 250800 143.06 -65.5202 -26.5414 -65.5199 -114.055 -49.872 -26.5405 -49.8732 55.9909 GPRESSURE: 250800 174.183 -62.9015 -81.1765 -8.58594 -95.1324 -103.747 -4.19416 1.74219 109.842 PRESSAVG: 250800 54.1396 10.3414 -73.6948 10.3414 -19.7491 -21.8997 -73.6947 -21.8997 20.8511 GPRESSAVG: 250800 56.3644 13.0342 -74.7994 10.3247 -20.2224 -20.612 -73.233 -22.4227 19.8897 TIMING: 250800 CPU: 729.032, 0.00290776/step Wall: 729.032, 0.00290776/step, 3.83598 hours remaining, 202.867188 MB of memory in use. ENERGY: 250800 714.9805 2070.6811 1954.6345 112.3699 -206475.7313 18059.7397 0.0000 0.0000 34015.5703 -149547.7553 297.0664 -183563.3256 -149453.1921 297.9409 28.3321 62.9643 559849.0621 18.4139 18.6773 PRESSURE: 251000 -187.658 127.138 48.4856 127.138 -125.532 -25.0948 48.4848 -25.0968 -69.8001 GPRESSURE: 251000 -184.48 -48.2536 -7.11861 203.123 -63.728 -11.0294 113.686 -51.5195 -32.8345 PRESSAVG: 251000 10.6179 -14.2172 -100.984 -14.2172 10.9097 -3.53426 -100.984 -3.53426 -4.58698 GPRESSAVG: 251000 9.04349 -18.7213 -99.5012 -12.1572 11.4942 -3.91191 -101.479 -3.16174 -3.63745 TIMING: 251000 CPU: 729.608, 0.00287774/step Wall: 729.608, 0.00287774/step, 3.79621 hours remaining, 202.867188 MB of memory in use. ENERGY: 251000 763.0092 2085.7909 1985.2892 113.9989 -206054.1795 17702.8273 0.0000 0.0000 34001.6437 -149401.6203 296.9448 -183403.2641 -149301.3697 298.4801 -127.6637 -93.6808 558393.2213 5.6469 5.6334 PRESSURE: 251200 -220.958 -113.265 -173.556 -113.265 76.2912 -28.7964 -173.556 -28.7947 -181.881 GPRESSURE: 251200 -169.333 -197.108 -69.2761 -46.9899 57.0031 -68.4379 -139.171 11.5038 -117.68 PRESSAVG: 251200 -29.8527 -47.3006 -45.3605 -47.3005 64.3742 -26.8578 -45.3606 -26.8578 -27.7145 GPRESSAVG: 251200 -30.0103 -43.9271 -44.6924 -49.599 65.0003 -27.3604 -44.5598 -25.6154 -28.2867 TIMING: 251200 CPU: 730.189, 0.00290622/step Wall: 730.189, 0.00290622/step, 3.83363 hours remaining, 202.867188 MB of memory in use. ENERGY: 251200 743.2422 2052.8074 1974.3195 112.6180 -206207.2902 17799.9295 0.0000 0.0000 34027.8742 -149496.4994 297.1739 -183524.3736 -149398.8216 298.6605 -108.8493 -76.6699 558402.3274 2.2690 2.2344 PRESSURE: 251400 -105.771 51.1418 -232.397 51.1417 386.691 12.7995 -232.397 12.8005 259.564 GPRESSURE: 251400 -105.299 44.9338 -273.954 82.5519 427.189 9.71296 -228.377 -74.9733 304.94 PRESSAVG: 251400 -16.1553 17.8009 -44.7219 17.801 -6.29318 34.9377 -44.7219 34.9377 18.9317 GPRESSAVG: 251400 -15.8614 17.0801 -46.6826 17.685 -8.17398 33.6926 -44.332 35.2004 20.4576 TIMING: 251400 CPU: 730.771, 0.00290953/step Wall: 730.771, 0.00290953/step, 3.83784 hours remaining, 202.867188 MB of memory in use. ENERGY: 251400 736.4916 2059.3133 1951.1351 118.8387 -206696.1807 18027.8516 0.0000 0.0000 34297.3295 -149505.2208 299.5271 -183802.5504 -149409.5673 297.3877 180.1616 208.9434 556123.2071 -1.1722 -1.1926 PRESSURE: 251600 -9.01299 -230.063 46.0856 -230.062 -71.8991 70.4523 46.0863 70.4514 384.122 GPRESSURE: 251600 52.1766 -112.749 32.5586 -281.816 -59.8147 144.042 29.312 32.4755 413.391 PRESSAVG: 251600 -78.2686 -0.962057 33.659 -0.962052 1.66056 -17.5895 33.659 -17.5896 32.2171 GPRESSAVG: 251600 -76.5035 0.0368009 34.646 -1.31589 1.73326 -15.4867 33.4702 -20.9462 30.5727 TIMING: 251600 CPU: 731.353, 0.00290992/step Wall: 731.353, 0.00290992/step, 3.83818 hours remaining, 202.867188 MB of memory in use. ENERGY: 251600 743.4295 2097.3043 1962.1868 95.9819 -206076.2379 17840.3098 0.0000 0.0000 34013.2114 -149323.8141 297.0458 -183337.0255 -149229.8028 298.0021 101.0699 135.2510 557009.1826 -14.7970 -14.7325 PRESSURE: 251800 -39.7161 144.204 0.223474 144.205 -68.3365 -72.9084 0.222818 -72.9086 447.809 GPRESSURE: 251800 -47.9853 84.8814 -27.3531 188.113 -25.5574 -49.3092 123.731 -92.7503 510.334 PRESSAVG: 251800 -63.3738 22.5088 35.2682 22.5089 81.6024 19.8754 35.2681 19.8755 -3.82192 GPRESSAVG: 251800 -64.1484 20.5806 34.1475 24.4144 83.5896 18.8499 35.5513 21.5316 -3.60084 TIMING: 251800 CPU: 731.93, 0.00288241/step Wall: 731.93, 0.00288241/step, 3.80174 hours remaining, 202.867188 MB of memory in use. ENERGY: 251800 723.3052 2072.9307 1991.6569 102.9873 -206305.8300 18002.7303 0.0000 0.0000 34074.1591 -149338.0605 297.5781 -183412.2196 -149248.8790 298.8548 113.2522 145.5971 557617.6797 4.8022 5.2801 PRESSURE: 252000 -127.472 77.0977 -29.1482 77.0975 123.207 37.4623 -29.1479 37.4619 -23.549 GPRESSURE: 252000 -74.2753 59.433 -12.9519 78.2188 196.808 129.501 -12.3432 53.8744 -48.7392 PRESSAVG: 252000 46.8309 18.7433 80.5239 18.7434 66.2164 3.67463 80.5239 3.67449 -106.552 GPRESSAVG: 252000 46.7085 17.5412 81.2245 18.9943 65.4965 3.79344 77.7405 5.19502 -105.845 TIMING: 252000 CPU: 732.508, 0.00289224/step Wall: 732.508, 0.00289224/step, 3.81454 hours remaining, 202.867188 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: 252000 743.2558 2038.9324 1981.6333 114.7251 -206354.3200 17865.4185 0.0000 0.0000 34211.7785 -149398.5764 298.7800 -183610.3549 -149304.9465 298.9081 -9.2713 24.5977 557942.0749 2.1650 2.1199 PRESSURE: 252200 -16.0409 -74.7616 -11.6796 -74.7618 -36.2382 -66.9926 -11.6804 -66.9928 -248.075 GPRESSURE: 252200 48.4939 -67.2094 50.5372 -62.1346 -11.8377 -143.544 -61.8678 -7.30005 -238.623 PRESSAVG: 252200 6.13392 15.8814 30.3268 15.8814 50.2828 31.2507 30.3268 31.2507 -103.248 GPRESSAVG: 252200 5.87495 17.7344 29.7382 13.1626 51.0714 30.2206 31.4655 30.0651 -104.051 TIMING: 252200 CPU: 733.09, 0.00290984/step Wall: 733.09, 0.00290984/step, 3.83759 hours remaining, 202.867188 MB of memory in use. ENERGY: 252200 688.6810 2115.6735 2003.3403 134.1753 -206088.5775 17603.7564 0.0000 0.0000 34267.0404 -149275.9107 299.2626 -183542.9511 -149174.2974 298.5786 -100.1180 -67.3221 556465.7480 -15.6103 -15.7015 LDB: ============= START OF LOAD BALANCING ============== 736.557 LDB: ============== END OF LOAD BALANCING =============== 736.557 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 736.559 LDB: ============= START OF LOAD BALANCING ============== 736.852 LDB: Largest compute 4820 load 0.029236 is 24.9% of average load 0.117328 LDB: Average compute 0.001732 is 1.5% of average load 0.117328 LDB: TIME 736.854 LOAD: AVG 0.117328 MAX 0.176899 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.805 MB LDB: TIME 736.855 LOAD: AVG 0.117328 MAX 0.176899 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.004 MB LDB: TIME 736.855 LOAD: AVG 0.117328 MAX 0.176899 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.004 MB LDB: ============== END OF LOAD BALANCING =============== 736.857 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 736.861 PRESSURE: 252400 -65.735 -204.79 -46.1334 -204.79 88.6457 28.4083 -46.1333 28.4084 10.6338 GPRESSURE: 252400 -31.3784 -55.4958 31.6405 -252.854 67.0993 90.6028 -136.163 92.2814 81.0773 PRESSAVG: 252400 -12.6057 -3.91548 -19.0339 -3.91554 83.4542 -1.61155 -19.0339 -1.61168 -16.3816 GPRESSAVG: 252400 -13.1109 -5.36537 -19.1434 -2.01065 83.3172 -0.902345 -17.4554 -1.20911 -16.0656 TIMING: 252400 CPU: 733.686, 0.00297891/step Wall: 733.686, 0.00297891/step, 3.92852 hours remaining, 201.195312 MB of memory in use. ENERGY: 252400 746.4713 2092.1153 1976.6542 125.3761 -206308.3776 17803.8586 0.0000 0.0000 34060.2132 -149503.6889 297.4563 -183563.9022 -149412.2719 299.1011 11.1815 38.9327 555756.2661 18.1556 18.0469 PRESSURE: 252600 -21.9941 -28.08 191.252 -28.0795 -112.801 -162.337 191.252 -162.338 99.1044 GPRESSURE: 252600 55.7572 104.882 159.547 -103.944 -62.3453 -157.005 202.796 -94.8967 82.1592 PRESSAVG: 252600 27.9707 -17.1244 25.278 -17.1243 -30.201 10.1368 25.2779 10.1369 -37.6225 GPRESSAVG: 252600 29.2225 -17.6537 26.0145 -16.1704 -30.3634 9.00404 23.9202 12.0885 -37.9263 TIMING: 252600 CPU: 734.27, 0.00292009/step Wall: 734.27, 0.00292009/step, 3.85078 hours remaining, 201.195312 MB of memory in use. ENERGY: 252600 717.2647 2120.8403 1999.4064 111.9559 -206326.4105 17738.0644 0.0000 0.0000 34169.5233 -149469.3555 298.4109 -183638.8788 -149372.7445 298.4794 -11.8970 25.1904 556843.5876 -13.2843 -13.0224 PRESSURE: 252800 -184.348 -63.4034 -20.1694 -63.4034 52.3404 66.1178 -20.1692 66.1174 -34.3511 GPRESSURE: 252800 -149.99 -90.5032 -26.4222 39.3125 70.0979 62.6712 -3.65937 79.9597 7.92448 PRESSAVG: 252800 13.5711 25.6829 -29.157 25.6828 30.2867 2.87602 -29.1571 2.87586 -39.0415 GPRESSAVG: 252800 13.0988 26.1515 -28.7265 24.4529 30.7431 4.80295 -28.3163 0.282254 -38.7569 TIMING: 252800 CPU: 734.856, 0.00292874/step Wall: 734.856, 0.00292874/step, 3.86204 hours remaining, 201.195312 MB of memory in use. ENERGY: 252800 722.5225 2140.5315 1974.3684 124.4930 -206380.7025 17656.4944 0.0000 0.0000 34249.9876 -149512.3052 299.1137 -183762.2928 -149424.9215 298.2747 -55.4528 -23.9892 555154.6791 1.6055 1.6950 PRESSURE: 253000 -77.2315 102.226 -26.6247 102.227 160.321 107.639 -26.6257 107.638 -216.837 GPRESSURE: 253000 -23.7435 -9.54471 -11.8445 168.868 76.2554 159.043 0.430686 125.882 -96.1853 PRESSAVG: 253000 -35.12 -11.2798 0.133819 -11.2798 20.4147 38.7871 0.133845 38.7871 -2.65713 GPRESSAVG: 253000 -34.6944 -11.4538 0.6318 -11.039 20.1321 37.3244 0.971251 39.2707 -3.17579 TIMING: 253000 CPU: 735.441, 0.00292706/step Wall: 735.441, 0.00292706/step, 3.85965 hours remaining, 201.195312 MB of memory in use. ENERGY: 253000 712.2255 2081.2958 1973.2569 114.8522 -206466.4009 17890.4717 0.0000 0.0000 34128.5003 -149565.7987 298.0527 -183694.2990 -149467.3658 298.0437 -44.5827 -14.5578 556969.8375 -5.7875 -5.9127 PRESSURE: 253200 -510.786 -34.0188 147.563 -34.0193 -142.364 57.4468 147.563 57.4469 9.81035 GPRESSURE: 253200 -407.101 -5.16905 104.721 -95.3718 -141.1 9.58285 155.327 21.8005 0.82347 PRESSAVG: 253200 -90.0853 -2.46861 30.9428 -2.46859 79.2095 5.22932 30.9427 5.22933 -31.1424 GPRESSAVG: 253200 -90.4841 -3.38038 30.9068 -0.77194 79.3189 4.89745 28.2818 5.32943 -31.115 TIMING: 253200 CPU: 736.023, 0.00291102/step Wall: 736.023, 0.00291102/step, 3.83834 hours remaining, 201.195312 MB of memory in use. ENERGY: 253200 768.1869 2166.6387 1950.3438 118.6934 -205906.7445 17388.7423 0.0000 0.0000 34119.8980 -149394.2413 297.9776 -183514.1393 -149299.8784 298.7162 -214.4465 -182.4594 556321.7095 -14.0061 -14.0934 PRESSURE: 253400 -35.2148 114.052 159.409 114.051 74.667 -136.239 159.408 -136.238 -101.641 GPRESSURE: 253400 -49.0029 81.5429 170.308 136.985 147.824 -91.5728 104.662 -192.877 -63.8214 PRESSAVG: 253400 -14.4836 -9.58749 -33.4482 -9.5874 7.67449 6.06202 -33.4483 6.0621 -10.8441 GPRESSAVG: 253400 -15.6219 -7.28982 -34.4856 -11.4481 8.63563 7.39056 -34.1974 4.86509 -10.4533 TIMING: 253400 CPU: 736.601, 0.00288956/step Wall: 736.601, 0.00288956/step, 3.80988 hours remaining, 201.195312 MB of memory in use. ENERGY: 253400 730.5481 2111.2011 1983.2169 114.0019 -206358.5921 17775.5500 0.0000 0.0000 34058.2343 -149585.8398 297.4390 -183644.0741 -149485.6558 298.4022 -20.7298 11.6665 555601.3792 -5.8844 -5.8132 PRESSURE: 253600 129.751 86.5555 -93.2801 86.5548 153.145 -15.882 -93.2815 -15.8813 -27.7987 GPRESSURE: 253600 115.072 78.0423 -195.859 37.4596 189.771 27.3939 -90.7632 -56.9405 47.3129 PRESSAVG: 253600 -43.8014 10.206 10.6674 10.206 24.941 -26.6984 10.6675 -26.6985 21.4833 GPRESSAVG: 253600 -42.5719 9.16025 9.81406 11.1129 24.2686 -27.989 12.1609 -26.3119 20.0807 TIMING: 253600 CPU: 737.183, 0.00290911/step Wall: 737.183, 0.00290911/step, 3.8355 hours remaining, 201.195312 MB of memory in use. ENERGY: 253600 725.6089 2110.2192 1993.8068 120.3738 -207098.2135 18168.8127 0.0000 0.0000 34318.4763 -149660.9158 299.7118 -183979.3921 -149559.0862 298.2372 85.0323 117.3853 555414.4464 0.8743 0.5925 PRESSURE: 253800 28.6908 -95.6374 -73.1579 -95.6367 -274.172 124.106 -73.1566 124.107 -49.5262 GPRESSURE: 253800 26.4335 -84.0598 -47.9628 -84.7824 -208.886 96.2864 -81.0143 124.51 -20.6375 PRESSAVG: 253800 48.4349 -9.82471 29.0156 -9.82471 17.63 -38.3045 29.0155 -38.3044 -22.2403 GPRESSAVG: 253800 47.6283 -7.4727 32.0724 -12.5541 16.7552 -38.5646 27.7342 -36.1094 -20.8195 TIMING: 253800 CPU: 737.764, 0.00290505/step Wall: 737.764, 0.00290505/step, 3.82999 hours remaining, 201.195312 MB of memory in use. ENERGY: 253800 767.4928 2112.3633 1985.5524 108.9546 -206742.5361 17857.3417 0.0000 0.0000 34282.8543 -149627.9770 299.4007 -183910.8313 -149530.9492 298.5084 -98.3357 -67.6966 557411.0360 14.6082 14.5213 PRESSURE: 254000 112.119 39.9328 47.7582 39.9315 -36.4161 -71.8578 47.7585 -71.8582 63.8917 GPRESSURE: 254000 148.079 18.951 65.9497 47.0466 -53.742 -45.5763 50.5173 -12.9818 151.532 PRESSAVG: 254000 -51.3148 -16.8371 13.9183 -16.8371 64.9114 -2.99868 13.9184 -2.99875 -30.5342 GPRESSAVG: 254000 -50.564 -20.6953 13.2769 -14.8149 64.8955 -2.72834 13.9284 -3.177 -31.087 TIMING: 254000 CPU: 738.345, 0.00290657/step Wall: 738.345, 0.00290657/step, 3.83183 hours remaining, 201.195312 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: 254000 772.7538 2079.4488 2008.6613 97.6201 -206576.3895 17862.5778 0.0000 0.0000 34177.8839 -149577.4438 298.4840 -183755.3277 -149469.2901 298.9343 46.5317 81.9564 556232.4763 -5.6458 -5.5852 PRESSURE: 254200 386.375 -153.155 10.381 -153.155 85.6892 130.822 10.3812 130.824 -83.2649 GPRESSURE: 254200 374.841 -207.008 -13.6696 -74.8634 71.1133 156.118 -50.0216 145.677 40.6316 PRESSAVG: 254200 -14.4874 -7.19085 -9.05141 -7.19089 52.443 0.779756 -9.05139 0.779761 -39.4317 GPRESSAVG: 254200 -15.4436 -8.33723 -11.3827 -6.90677 52.9666 1.59857 -8.16889 -1.08138 -38.9334 TIMING: 254200 CPU: 738.923, 0.00288844/step Wall: 738.923, 0.00288844/step, 3.80777 hours remaining, 201.195312 MB of memory in use. ENERGY: 254200 768.5048 2114.2779 1995.3871 116.5502 -206784.7443 18051.3201 0.0000 0.0000 34187.6793 -149551.0249 298.5695 -183738.7042 -149449.9350 298.3007 129.5997 162.1953 556264.3684 -0.4920 -0.4701 PRESSURE: 254400 -204.706 -33.2902 -148.263 -33.2912 160.304 -45.7617 -148.264 -45.7616 88.7929 GPRESSURE: 254400 -128.621 -76.6686 -132.228 10.6399 218.201 -83.7889 -84.6017 28.8587 56.2492 PRESSAVG: 254400 -14.1348 14.185 4.57813 14.185 39.5494 34.2939 4.57816 34.2939 -32.0163 GPRESSAVG: 254400 -13.9203 15.9233 6.11456 14.6508 39.2783 34.3203 4.35298 37.0423 -32.3955 TIMING: 254400 CPU: 739.5, 0.0028846/step Wall: 739.5, 0.0028846/step, 3.80255 hours remaining, 201.195312 MB of memory in use. ENERGY: 254400 743.4543 2147.1839 1994.4355 112.1144 -206659.3177 17960.8073 0.0000 0.0000 34083.1392 -149618.1829 297.6565 -183701.3221 -149528.4088 298.8198 14.7968 48.6098 557032.0462 -2.2006 -2.3458 PRESSURE: 254600 34.7494 79.6922 11.354 79.6929 -255.658 90.8412 11.3547 90.841 -344.654 GPRESSURE: 254600 79.8923 60.8676 32.6514 72.9581 -223.923 109.417 17.5242 57.4818 -318.407 PRESSAVG: 254600 -44.1569 4.71284 44.7107 4.71291 54.7793 2.34819 44.7107 2.34803 5.19483 GPRESSAVG: 254600 -43.7138 5.26261 45.0162 3.52642 54.6743 1.22686 45.172 1.6744 4.6188 TIMING: 254600 CPU: 740.076, 0.00287969/step Wall: 740.076, 0.00287969/step, 3.79591 hours remaining, 201.195312 MB of memory in use. ENERGY: 254600 785.8058 2054.3251 1989.7121 121.3107 -206398.7343 17650.9761 0.0000 0.0000 34098.9357 -149697.6688 297.7945 -183796.6045 -149599.3155 298.1675 -188.5210 -154.1458 557036.1194 5.2724 5.1931 PRESSURE: 254800 -105.652 24.147 -44.7598 24.1456 -270.429 -58.4674 -44.7609 -58.4664 -82.6528 GPRESSURE: 254800 -111.567 -30.0231 -40.5248 -0.444838 -168.077 -74.3376 12.6324 -63.9962 -84.2809 PRESSAVG: 254800 81.9907 3.45722 95.9818 3.45716 -72.4009 -18.8792 95.9818 -18.8791 1.53294 GPRESSAVG: 254800 80.9764 5.98903 95.166 -0.0766571 -72.5007 -16.832 96.6165 -21.8539 1.81206 TIMING: 254800 CPU: 740.656, 0.00290112/step Wall: 740.656, 0.00290112/step, 3.824 hours remaining, 201.195312 MB of memory in use. ENERGY: 254800 777.2400 2135.4970 1965.8672 114.9493 -206417.3074 17791.2838 0.0000 0.0000 33955.6489 -149676.8212 296.5431 -183632.4701 -149594.1028 297.9560 -152.9110 -121.3083 556201.5920 3.7076 3.4292 PRESSURE: 255000 49.2797 -22.2934 212.369 -22.2939 215.186 206.759 212.369 206.76 -21.822 GPRESSURE: 255000 64.2505 -5.98078 151.667 9.07735 264.626 230.324 194.094 137.592 2.15743 PRESSAVG: 255000 55.0842 -45.6417 -8.06542 -45.6416 -112.982 19.1209 -8.06543 19.1208 20.7434 GPRESSAVG: 255000 54.5445 -47.2798 -6.75732 -42.0628 -112.263 18.7584 -11.247 19.8908 20.5358 TIMING: 255000 CPU: 741.235, 0.00289409/step Wall: 741.235, 0.00289409/step, 3.81458 hours remaining, 201.195312 MB of memory in use. ENERGY: 255000 758.5179 2113.2511 1974.8088 121.8415 -206622.7940 18027.4725 0.0000 0.0000 34133.4625 -149493.4397 298.0960 -183626.9022 -149396.2099 297.7901 80.8813 110.3446 555373.1729 -12.3848 -12.3944 PRESSURE: 255200 58.7434 42.6181 121.285 42.6193 5.4255 166.026 121.284 166.027 -141.976 GPRESSURE: 255200 105.052 108.508 52.3878 -8.3545 -8.47853 100.727 128.494 125.529 -88.0111 PRESSAVG: 255200 0.276636 44.1449 29.2892 44.1449 43.6158 45.4688 29.2892 45.4689 -16.1377 GPRESSAVG: 255200 0.90137 42.8161 28.088 44.0087 41.9993 46.018 29.9474 46.8438 -15.3437 TIMING: 255200 CPU: 741.811, 0.00288183/step Wall: 741.811, 0.00288183/step, 3.79826 hours remaining, 201.195312 MB of memory in use. ENERGY: 255200 740.9005 2157.3466 1969.9254 109.4665 -206620.0282 17894.8016 0.0000 0.0000 34251.9237 -149495.6641 299.1306 -183747.5877 -149396.1841 297.7845 -25.9358 2.8540 556411.0702 9.2516 9.1857 PRESSURE: 255400 71.9399 -13.1976 53.388 -13.1976 311.712 22.4737 53.3871 22.4722 -160.612 GPRESSURE: 255400 98.3517 -5.40156 11.5912 -76.1003 282.349 93.2245 85.5426 27.7762 -70.425 PRESSAVG: 255400 -0.0203314 1.2049 22.8627 1.20487 26.8263 7.38758 22.8628 7.38766 -29.3295 GPRESSAVG: 255400 -0.800073 1.48694 22.2686 2.47548 27.6922 7.57236 24.8761 8.18086 -29.5126 TIMING: 255400 CPU: 742.392, 0.00290196/step Wall: 742.392, 0.00290196/step, 3.82463 hours remaining, 201.195312 MB of memory in use. ENERGY: 255400 733.4043 2121.8362 1936.5092 105.3622 -206683.2420 18043.6587 0.0000 0.0000 34103.6603 -149638.8110 297.8357 -183742.4713 -149543.0880 297.8721 74.3467 103.4251 556710.6847 -0.8412 -0.8735 PRESSURE: 255600 -175.796 108.82 -13.8764 108.82 8.7846 277.126 -13.8761 277.127 -48.8262 GPRESSURE: 255600 -139.865 151.999 -115.115 80.9964 63.406 162.663 50.7004 303.389 -32.2502 PRESSAVG: 255600 -42.5612 -38.546 2.80997 -38.546 48.9129 75.3334 2.80999 75.3334 5.37319 GPRESSAVG: 255600 -42.8209 -37.965 3.94436 -40.4092 49.298 74.9776 2.20883 74.2773 5.57349 TIMING: 255600 CPU: 742.966, 0.00287187/step Wall: 742.966, 0.00287187/step, 3.78481 hours remaining, 201.195312 MB of memory in use. ENERGY: 255600 724.5574 2113.4429 1976.0037 116.9762 -205978.1061 17587.9248 0.0000 0.0000 33920.0740 -149539.1271 296.2324 -183459.2011 -149435.7247 298.3845 -71.9459 -36.2363 559027.0041 3.9083 4.0169 PRESSURE: 255800 -8.42978 -125.352 145.645 -125.352 -167.832 -19.4948 145.645 -19.4949 -29.4182 GPRESSURE: 255800 -70.7332 -211.032 160.949 -89.214 -75.2134 1.67748 130.108 -11.5949 33.5422 PRESSAVG: 255800 20.8639 -1.96697 -18.0144 -1.96699 -35.3348 71.8996 -18.0143 71.8994 -5.16777 GPRESSAVG: 255800 20.3261 -3.0403 -17.1841 -2.02872 -34.9802 73.5287 -19.4584 71.8146 -5.42007 TIMING: 255800 CPU: 743.544, 0.00289143/step Wall: 743.544, 0.00289143/step, 3.81043 hours remaining, 201.234375 MB of memory in use. ENERGY: 255800 734.2658 2144.5719 1965.4153 107.4208 -206722.3729 17957.9653 0.0000 0.0000 34342.0393 -149470.6945 299.9176 -183812.7338 -149373.3655 298.0462 -68.5598 -37.4681 557021.8158 -6.5462 -6.6914 PRESSURE: 256000 -102.273 31.3072 -145.281 31.3066 -335.394 82.1622 -145.279 82.1598 55.5255 GPRESSURE: 256000 -93.0677 9.23576 -7.56846 50.5517 -312.146 14.5229 -212.038 102.817 124.676 PRESSAVG: 256000 -8.23139 31.1058 2.95234 31.1059 33.4147 33.711 2.95245 33.711 32.1941 GPRESSAVG: 256000 -7.66877 30.2572 3.26109 32.6563 32.8889 32.9379 4.60877 33.8365 32.0395 TIMING: 256000 CPU: 744.12, 0.00287733/step Wall: 744.12, 0.00287733/step, 3.79168 hours remaining, 201.234375 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: 256000 732.4158 2097.3707 1944.2319 109.4155 -206409.0031 17692.8281 0.0000 0.0000 34177.0361 -149655.7051 298.4766 -183832.7411 -149555.8040 297.9053 -127.3805 -93.5123 556191.2241 19.1258 19.0866 PRESSURE: 256200 -123.387 -11.2627 -177.103 -11.2642 -165.827 113.195 -177.102 113.196 -219.795 GPRESSURE: 256200 -97.1508 42.5507 -214.836 -78.4926 -100.143 146.409 -211.872 110.796 -205.03 PRESSAVG: 256200 3.88875 66.3664 -0.93143 66.3665 61.882 -35.5065 -0.931431 -35.5067 -42.9364 GPRESSAVG: 256200 3.0335 65.5595 -3.12941 65.8845 61.8477 -36.1831 -1.49719 -33.2612 -42.5738 TIMING: 256200 CPU: 744.697, 0.00288435/step Wall: 744.697, 0.00288435/step, 3.80078 hours remaining, 201.234375 MB of memory in use. ENERGY: 256200 744.6687 2110.0623 1992.0713 111.7905 -206368.3521 17602.9171 0.0000 0.0000 34115.2318 -149691.6104 297.9368 -183806.8422 -149589.3785 298.0140 -169.6695 -134.1079 557167.9864 7.6115 7.4358 LDB: ============= START OF LOAD BALANCING ============== 748.161 LDB: ============== END OF LOAD BALANCING =============== 748.161 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 748.163 LDB: ============= START OF LOAD BALANCING ============== 748.449 LDB: Largest compute 4820 load 0.029333 is 25.0% of average load 0.117399 LDB: Average compute 0.001735 is 1.5% of average load 0.117399 LDB: TIME 748.452 LOAD: AVG 0.117399 MAX 0.17873 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.227 MB LDB: TIME 748.452 LOAD: AVG 0.117399 MAX 0.17873 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.227 MB LDB: TIME 748.452 LOAD: AVG 0.117399 MAX 0.17873 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.227 MB LDB: ============== END OF LOAD BALANCING =============== 748.454 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 748.458 PRESSURE: 256400 0.0912518 196.215 -63.4957 196.216 -117.084 20.4052 -63.496 20.4064 180.114 GPRESSURE: 256400 83.2018 228.334 -41.7821 174.961 -90.768 64.8875 -111.499 1.10269 160.201 PRESSAVG: 256400 45.4988 20.0839 16.8979 20.0839 21.5694 9.73783 16.8979 9.73781 -35.5784 GPRESSAVG: 256400 47.2713 22.2411 19.6918 19.7365 22.0825 10.0794 16.3152 8.49697 -37.4681 TIMING: 256400 CPU: 745.283, 0.00293295/step Wall: 745.283, 0.00293295/step, 3.86466 hours remaining, 200.558594 MB of memory in use. ENERGY: 256400 733.8662 2098.9908 1978.8406 114.6612 -206666.2632 17896.5942 0.0000 0.0000 34047.8928 -149795.4173 297.3487 -183843.3101 -149698.4298 298.2086 21.0405 50.8783 557524.4765 10.4966 10.6286 PRESSURE: 256600 -233.611 226.617 -0.995798 226.618 -260.03 121.77 -0.99543 121.769 -56.2486 GPRESSURE: 256600 -198.698 253.926 94.0351 149.463 -249.869 147.098 -92.7973 154.296 2.95883 PRESSAVG: 256600 37.9389 44.695 -33.3834 44.6949 7.06897 0.801872 -33.3834 0.801856 -6.30953 GPRESSAVG: 256600 37.4173 43.9062 -34.8091 44.2466 5.87591 0.968065 -32.5842 -0.41218 -4.42117 TIMING: 256600 CPU: 745.857, 0.00287008/step Wall: 745.857, 0.00287008/step, 3.78165 hours remaining, 200.832031 MB of memory in use. ENERGY: 256600 725.0285 2081.1566 1974.5135 114.2597 -206019.4866 17503.9821 0.0000 0.0000 33978.7250 -149641.8212 296.7447 -183620.5461 -149539.4001 297.6269 -183.2964 -148.5362 557054.3608 12.8995 12.9574 PRESSURE: 256800 -49.8207 175.481 94.8161 175.48 -162.658 -26.6619 94.8156 -26.6623 -209.169 GPRESSURE: 256800 21.7608 173.221 109.243 133.509 -151.56 0.880937 173.958 -62.6766 -202.284 PRESSAVG: 256800 -25.8203 29.5644 -22.5841 29.5643 26.8432 13.8957 -22.584 13.8958 12.4307 GPRESSAVG: 256800 -26.1716 28.7957 -24.4545 28.9117 26.7553 14.853 -20.7942 15.1765 12.3067 TIMING: 256800 CPU: 746.435, 0.00289111/step Wall: 746.435, 0.00289111/step, 3.80919 hours remaining, 200.832031 MB of memory in use. ENERGY: 256800 748.4530 2117.7037 1963.8829 119.3271 -205970.1967 17398.8257 0.0000 0.0000 34030.9912 -149591.0130 297.2011 -183622.0042 -149488.7768 298.0173 -140.5495 -110.6944 556878.8366 4.4846 4.2968 PRESSURE: 257000 70.6548 138.538 104.322 138.538 -52.0316 30.6976 104.322 30.6964 -89.27 GPRESSURE: 257000 39.9845 76.0185 184.228 187.214 29.1523 -92.0149 98.1794 50.9743 -49.3578 PRESSAVG: 257000 72.9504 -14.3677 54.2165 -14.3677 -22.3139 -38.9275 54.2166 -38.9275 -37.9942 GPRESSAVG: 257000 72.7833 -12.5119 56.6991 -14.0286 -21.9913 -38.2023 51.1019 -39.9885 -38.449 TIMING: 257000 CPU: 747.013, 0.00289008/step Wall: 747.013, 0.00289008/step, 3.80769 hours remaining, 200.832031 MB of memory in use. ENERGY: 257000 771.5481 2182.3592 1998.6784 102.3536 -206235.1219 17773.1408 0.0000 0.0000 34160.0311 -149247.0107 298.3280 -183407.0418 -149154.6867 298.6216 -23.5489 6.5930 558001.7781 4.2141 4.1143 PRESSURE: 257200 22.545 194.018 103.718 194.017 -251.174 119.84 103.718 119.842 -277.38 GPRESSURE: 257200 69.1152 167.54 84.4061 214.075 -209.75 147.457 95.3723 126.781 -272.45 PRESSAVG: 257200 46.5976 3.49029 14.8667 3.49035 -55.2091 50.9283 14.8667 50.9282 39.4837 GPRESSAVG: 257200 46.4266 1.74485 14.0301 4.05524 -53.961 50.1631 16.1802 51.6024 38.4133 TIMING: 257200 CPU: 747.59, 0.00288302/step Wall: 747.59, 0.00288302/step, 3.79822 hours remaining, 200.832031 MB of memory in use. ENERGY: 257200 768.9445 2110.1154 1998.6209 116.8520 -206135.2417 17787.1903 0.0000 0.0000 34396.4933 -148957.0254 300.3931 -183353.5187 -148856.1688 299.1152 -168.6697 -137.6949 559706.8624 10.2907 10.2930 PRESSURE: 257400 -185.756 9.30505 120.939 9.30444 -48.2442 -146.686 120.94 -146.687 -80.6057 GPRESSURE: 257400 -170.287 -2.71924 110.833 -39.5364 4.6988 -72.7282 83.2847 -220.937 -63.5671 PRESSAVG: 257400 70.4568 -9.98386 31.157 -9.98386 -83.6076 12.7621 31.1569 12.7621 -12.4076 GPRESSAVG: 257400 71.1868 -9.77007 30.4138 -11.2908 -85.0334 12.7626 31.1794 12.5277 -11.8733 TIMING: 257400 CPU: 748.171, 0.00290261/step Wall: 748.171, 0.00290261/step, 3.82387 hours remaining, 200.832031 MB of memory in use. ENERGY: 257400 774.3085 2126.5393 1972.3612 112.2521 -205964.8913 17651.9103 0.0000 0.0000 34230.3919 -149097.1281 298.9425 -183327.5199 -149004.4465 299.8520 -104.8685 -76.3850 557286.6787 -8.5195 -8.5733 PRESSURE: 257600 117.712 -50.2629 -42.1506 -50.2642 -196.879 88.6488 -42.1503 88.6505 49.3556 GPRESSURE: 257600 135.481 -81.5029 -65.0663 -52.7271 -174.146 27.3294 -58.0529 55.4001 106.21 PRESSAVG: 257600 83.3501 -35.1924 7.6503 -35.1924 -84.9048 -11.0461 7.65037 -11.046 19.8545 GPRESSAVG: 257600 82.9395 -36.2362 5.8226 -33.8723 -84.4333 -9.61762 7.42951 -10.7648 19.8269 TIMING: 257600 CPU: 748.749, 0.00289181/step Wall: 748.749, 0.00289181/step, 3.80947 hours remaining, 200.832031 MB of memory in use. ENERGY: 257600 740.6199 2166.2367 1969.3881 109.8208 -206117.4730 17762.0667 0.0000 0.0000 34156.6888 -149212.6520 298.2989 -183369.3408 -149109.1781 299.3190 -9.9370 22.5148 557905.7059 6.0999 6.1111 PRESSURE: 257800 51.7586 60.9373 21.0563 60.9381 -371 10.3429 21.0539 10.3427 -294.298 GPRESSURE: 257800 47.4233 79.8689 -24.2455 22.9801 -335.28 69.9366 90.1778 -29.0259 -241.595 PRESSAVG: 257800 73.3954 -7.34258 20.9529 -7.34272 -117.844 27.0677 20.9528 27.0677 59.5883 GPRESSAVG: 257800 72.8997 -7.41638 24.5528 -8.89317 -117.92 25.4096 19.5801 27.6569 59.7733 TIMING: 257800 CPU: 749.327, 0.00289174/step Wall: 749.327, 0.00289174/step, 3.80922 hours remaining, 200.832031 MB of memory in use. ENERGY: 257800 743.9305 2110.3790 1990.3800 114.9000 -206095.6988 17490.6537 0.0000 0.0000 34283.6961 -149361.7595 299.4080 -183645.4555 -149266.1152 298.8507 -204.5130 -176.4837 558106.1428 5.0464 4.9176 PRESSURE: 258000 -206.013 -8.21298 -31.0383 -8.21307 17.3108 44.8734 -31.0367 44.8728 -19.2543 GPRESSURE: 258000 -197.006 -116.875 -78.6329 15.0659 23.3076 20.2065 6.14337 51.6839 56.3646 PRESSAVG: 258000 -0.345104 11.3461 4.09622 11.3461 14.9193 18.4475 4.0963 18.4476 -17.0431 GPRESSAVG: 258000 -0.719236 10.3127 1.77192 11.7131 14.2439 17.8654 6.87791 19.2866 -16.6398 TIMING: 258000 CPU: 749.906, 0.00289307/step Wall: 749.906, 0.00289307/step, 3.81082 hours remaining, 200.832031 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: 258000 767.1967 2051.2237 1992.0829 121.1891 -206335.4754 17753.5052 0.0000 0.0000 34345.6095 -149304.6683 299.9488 -183650.2778 -149209.1273 298.8623 -69.3187 -39.1113 557814.7422 -0.8230 -1.0384 PRESSURE: 258200 -204.998 160.561 -16.1511 160.56 -74.3645 83.2613 -16.1499 83.2629 -68.2205 GPRESSURE: 258200 -169.215 192.371 107.115 112.671 -42.1081 150.27 -38.0163 25.7324 -44.2353 PRESSAVG: 258200 3.50873 33.8233 22.9644 33.8232 17.3143 7.24954 22.9644 7.24964 -17.1002 GPRESSAVG: 258200 3.81943 35.8748 24.1636 31.924 17.3852 7.68569 21.6019 6.31748 -17.4704 TIMING: 258200 CPU: 750.488, 0.00290953/step Wall: 750.488, 0.00290953/step, 3.83233 hours remaining, 200.832031 MB of memory in use. ENERGY: 258200 764.3189 2038.9368 1973.6957 117.4656 -206245.1227 17763.2094 0.0000 0.0000 34122.1020 -149465.3942 297.9968 -183587.4962 -149372.0439 298.8717 -115.8611 -85.1862 557159.8916 1.2409 1.2447 PRESSURE: 258400 29.1807 -67.1851 161.481 -67.1846 31.19 12.6476 161.48 12.6481 376.122 GPRESSURE: 258400 104.721 -160.13 164.996 -84.3724 17.6216 -32.6445 100.649 17.2333 403.994 PRESSAVG: 258400 34.822 61.405 46.8313 61.4049 -31.8568 19.345 46.8312 19.3451 31.414 GPRESSAVG: 258400 35.4083 63.6042 46.6353 60.6318 -32.3279 18.018 47.0817 20.8124 31.1721 TIMING: 258400 CPU: 751.066, 0.00288912/step Wall: 751.066, 0.00288912/step, 3.80529 hours remaining, 200.832031 MB of memory in use. ENERGY: 258400 711.1248 2109.6078 1963.3271 106.1115 -206334.9406 17908.1294 0.0000 0.0000 34147.1492 -149389.4909 298.2155 -183536.6401 -149293.8944 298.1647 145.4975 175.4455 557152.7353 11.4597 11.4175 PRESSURE: 258600 90.4081 98.4162 -63.1296 98.4157 190.848 -37.4627 -63.1295 -37.4621 119.776 GPRESSURE: 258600 122.49 136.483 -59.7461 52.3866 230.735 -68.5172 4.63617 -86.298 146.919 PRESSAVG: 258600 -47.5176 24.6332 19.8758 24.6331 10.4889 1.92956 19.8758 1.92963 -3.13174 GPRESSAVG: 258600 -48.6341 22.5429 18.7024 26.996 12.0848 5.7759 19.7413 0.0264397 -3.68623 TIMING: 258600 CPU: 751.642, 0.00288378/step Wall: 751.642, 0.00288378/step, 3.79809 hours remaining, 200.832031 MB of memory in use. ENERGY: 258600 745.4390 2125.5957 1957.1201 116.2329 -206784.8371 18143.5693 0.0000 0.0000 34220.1773 -149476.7027 298.8533 -183696.8800 -149378.0017 298.1419 133.6775 166.7146 555585.4784 -13.3868 -13.4118 PRESSURE: 258800 -354.862 77.1162 46.7711 77.1162 -189.216 3.83706 46.7706 3.8386 -152.697 GPRESSURE: 258800 -294.57 31.5233 80.8777 116.684 -171.668 -105.572 -22.1616 36.0949 -133.616 PRESSAVG: 258800 -28.865 -3.03745 -5.15611 -3.03748 -19.8713 28.6701 -5.15612 28.6702 6.69786 GPRESSAVG: 258800 -27.2596 -3.75689 -6.28371 -4.15255 -20.5702 25.208 -2.21764 28.2277 6.14801 TIMING: 258800 CPU: 752.218, 0.0028772/step Wall: 752.218, 0.0028772/step, 3.78927 hours remaining, 200.832031 MB of memory in use. ENERGY: 258800 766.4513 2099.7376 1980.3555 125.8613 -206098.9820 17574.7712 0.0000 0.0000 34222.0083 -149329.7969 298.8693 -183551.8051 -149231.6781 298.3455 -232.2587 -199.9514 558360.9455 -14.0128 -13.8940 PRESSURE: 259000 -133.812 -48.4026 177.677 -48.403 -453.635 74.5335 177.677 74.5318 -302.664 GPRESSURE: 259000 -155.834 -95.4662 224.736 -38.7001 -429.605 62.4886 128.774 78.7754 -218.89 PRESSAVG: 259000 -56.3268 -24.7437 4.07599 -24.7437 41.8619 -4.0774 4.07594 -4.07739 3.54451 GPRESSAVG: 259000 -57.0687 -23.9706 5.26077 -24.4397 41.6655 -3.05359 0.948976 -2.34869 3.85311 TIMING: 259000 CPU: 752.796, 0.00289161/step Wall: 752.796, 0.00289161/step, 3.80809 hours remaining, 200.832031 MB of memory in use. ENERGY: 259000 735.9219 2129.0663 1988.2439 116.2718 -205710.6374 17391.9499 0.0000 0.0000 34160.6088 -149188.5748 298.3331 -183349.1836 -149088.2826 298.6408 -296.7036 -268.1098 559540.8165 -3.6401 -3.8500 PRESSURE: 259200 167.976 121.079 -99.8247 121.079 -2.5956 51.8575 -99.8255 51.8572 99.2796 GPRESSURE: 259200 210.824 58.3373 -108.456 145.231 64.6005 12.9498 -137.475 32.4531 85.6182 PRESSAVG: 259200 36.5624 46.5958 -38.9987 46.5958 -2.41823 22.8414 -38.9987 22.8412 -4.07173 GPRESSAVG: 259200 36.8576 45.5263 -40.2857 47.0664 -3.37483 23.5901 -37.3035 21.4292 -3.50165 TIMING: 259200 CPU: 753.372, 0.0028785/step Wall: 753.372, 0.0028785/step, 3.79066 hours remaining, 200.832031 MB of memory in use. ENERGY: 259200 702.7563 2090.2876 1962.2541 121.2382 -206249.1036 17948.4798 0.0000 0.0000 34336.2719 -149087.8158 299.8672 -183424.0877 -148990.8190 299.2205 88.2200 120.3476 556613.7133 10.0241 9.9937 PRESSURE: 259400 -51.4009 84.1242 99.7728 84.1258 -219.147 30.5247 99.7742 30.5247 -257.314 GPRESSURE: 259400 0.796625 38.4196 104.623 133.637 -209.625 -7.04214 90.8725 60.6061 -214.992 PRESSAVG: 259400 12.3382 62.7009 19.8157 62.7009 -2.70917 -48.8408 19.8158 -48.8409 -10.1922 GPRESSAVG: 259400 12.3052 63.459 20.3811 60.7376 -1.33913 -48.5068 18.7532 -48.8443 -11.0206 TIMING: 259400 CPU: 753.948, 0.00287819/step Wall: 753.948, 0.00287819/step, 3.7901 hours remaining, 200.832031 MB of memory in use. ENERGY: 259400 763.5255 2102.6754 1995.5834 128.8462 -205970.7158 17586.5527 0.0000 0.0000 34262.5151 -149131.0174 299.2231 -183393.5325 -149035.1331 299.6197 -175.9540 -141.2734 558247.9244 -0.1877 -0.0182 PRESSURE: 259600 -4.99273 118.836 196.047 118.837 -147.708 41.3126 196.046 41.3115 -252.819 GPRESSURE: 259600 65.1922 82.428 256.406 214.935 -108.025 17.0758 153.033 9.91478 -270.083 PRESSAVG: 259600 52.108 58.7266 44.5785 58.7265 -51.6137 0.557122 44.5786 0.557097 -42.0857 GPRESSAVG: 259600 51.6988 58.2412 45.8694 60.3181 -52.4452 0.197675 44.1891 1.06833 -40.5309 TIMING: 259600 CPU: 754.52, 0.00286123/step Wall: 754.52, 0.00286123/step, 3.7676 hours remaining, 200.832031 MB of memory in use. ENERGY: 259600 776.5922 2117.6019 1995.1574 131.6513 -206008.4481 17720.8226 0.0000 0.0000 34262.6293 -149003.9934 299.2241 -183266.6227 -148902.8486 299.5777 -135.1732 -104.3051 557450.1624 -13.8638 -13.7591 PRESSURE: 259800 211.969 -34.8645 -88.467 -34.8644 77.5231 36.3145 -88.4675 36.3143 273.984 GPRESSURE: 259800 256.734 -84.8259 -72.1043 -43.5556 127.229 61.2614 -82.8182 16.9633 279.587 PRESSAVG: 259800 -15.1057 -23.4302 39.83 -23.4302 9.57135 10.6696 39.8301 10.6696 32.4998 GPRESSAVG: 259800 -14.4279 -23.1315 39.1179 -25.3252 10.5759 11.0611 40.2937 11.1817 31.3411 TIMING: 259800 CPU: 755.099, 0.00289851/step Wall: 755.099, 0.00289851/step, 3.81653 hours remaining, 200.832031 MB of memory in use. ENERGY: 259800 745.1880 2060.3536 1979.7700 120.2379 -206613.8998 18219.0443 0.0000 0.0000 34456.8800 -149032.4259 300.9205 -183489.3059 -148933.0545 299.5712 187.8252 221.1833 557135.6313 8.9885 9.1630 PRESSURE: 260000 44.7963 -89.2751 -124.472 -89.2738 -252.426 -16.6288 -124.473 -16.6286 160.137 GPRESSURE: 260000 71.8646 -72.8204 7.48754 -167.249 -189.709 5.67276 -191.662 -26.1797 167.907 PRESSAVG: 260000 93.2215 -21.0009 15.6267 -21.0008 -57.6795 26.7053 15.6266 26.7054 -12.104 GPRESSAVG: 260000 92.1841 -21.5779 19.4734 -20.5278 -57.3074 26.5501 14.6876 24.1675 -11.9052 TIMING: 260000 CPU: 755.677, 0.00289003/step Wall: 755.677, 0.00289003/step, 3.8052 hours remaining, 200.832031 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: 260000 752.4740 2143.2978 1946.1765 101.8709 -206085.0945 17882.8248 0.0000 0.0000 34179.3134 -149079.1370 298.4964 -183258.4504 -148982.8309 299.4537 -15.8311 16.6878 559196.8831 7.8127 7.6572 PRESSURE: 260200 -183.182 60.4467 -64.0077 60.447 -108.035 -208.244 -64.0082 -208.244 -263.261 GPRESSURE: 260200 -164.86 79.0053 -23.7319 47.4003 -120.897 -242.065 -95.683 -143.343 -150.363 PRESSAVG: 260200 -50.8313 19.8621 -27.8591 19.8621 -18.5783 -11.9755 -27.8591 -11.9755 15.6367 GPRESSAVG: 260200 -50.8067 20.957 -32.8303 19.2256 -19.1029 -12.328 -26.4454 -9.75893 16.4409 TIMING: 260200 CPU: 756.258, 0.00290388/step Wall: 756.258, 0.00290388/step, 3.82328 hours remaining, 200.832031 MB of memory in use. ENERGY: 260200 740.5826 2107.6138 1953.0655 106.6188 -206020.0750 17699.2133 0.0000 0.0000 34185.3081 -149227.6729 298.5488 -183412.9810 -149136.9197 299.6171 -184.8260 -145.3733 559340.0348 -17.9243 -17.8229 LDB: ============= START OF LOAD BALANCING ============== 759.724 LDB: ============== END OF LOAD BALANCING =============== 759.724 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 759.725 LDB: ============= START OF LOAD BALANCING ============== 760.015 LDB: Largest compute 4820 load 0.029756 is 25.4% of average load 0.117370 LDB: Average compute 0.001747 is 1.5% of average load 0.117370 LDB: TIME 760.018 LOAD: AVG 0.11737 MAX 0.177054 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.898 MB LDB: TIME 760.018 LOAD: AVG 0.11737 MAX 0.177054 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.051 MB LDB: TIME 760.018 LOAD: AVG 0.11737 MAX 0.177054 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.051 MB LDB: ============== END OF LOAD BALANCING =============== 760.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 760.024 PRESSURE: 260400 -82.9063 54.1545 -138.386 54.1539 14.6334 47.9708 -138.385 47.9692 -95.4176 GPRESSURE: 260400 -22.0296 158.21 -177.265 -17.1192 65.2064 56.8056 -153.488 34.0031 -102.985 PRESSAVG: 260400 36.1508 -40.5395 -3.53621 -40.5395 -30.6339 -9.14882 -3.53616 -9.1489 -11.8892 GPRESSAVG: 260400 35.8608 -42.4509 -3.48431 -39.7936 -31.0137 -8.4932 -3.31785 -9.73287 -11.2988 TIMING: 260400 CPU: 756.849, 0.00295475/step Wall: 756.849, 0.00295475/step, 3.89009 hours remaining, 201.468750 MB of memory in use. ENERGY: 260400 754.4855 2182.8557 1955.8674 118.8487 -206451.1679 17873.7283 0.0000 0.0000 34253.2721 -149312.1102 299.1423 -183565.3823 -149222.2742 298.8677 -54.5635 -19.9359 558395.6834 -2.1241 -2.1506 PRESSURE: 260600 -179.688 -36.557 60.5205 -36.5569 197.427 50.2683 60.5214 50.2687 -3.45527 GPRESSURE: 260600 -140.069 -17.856 65.7967 -20.3797 206.64 160.173 -11.1958 -5.40477 42.7765 PRESSAVG: 260600 -14.9874 -22.0685 11.8006 -22.0685 41.6952 82.1688 11.8006 82.169 -64.9565 GPRESSAVG: 260600 -14.3253 -20.1369 14.2264 -22.7958 41.6907 82.3119 11.4039 81.347 -65.7911 TIMING: 260600 CPU: 757.428, 0.00289384/step Wall: 757.428, 0.00289384/step, 3.80974 hours remaining, 201.468750 MB of memory in use. ENERGY: 260600 744.9687 2133.0541 1972.5134 115.6756 -206191.1024 17729.9885 0.0000 0.0000 34209.9226 -149284.9796 298.7638 -183494.9021 -149191.3560 298.5592 4.7612 36.4491 557465.1459 -12.7495 -12.8086 PRESSURE: 260800 -33.6948 -140.915 56.7129 -140.916 43.158 -22.2983 56.7125 -22.2962 76.4055 GPRESSURE: 260800 5.74378 -87.5265 54.4626 -208.24 81.8653 64.8585 57.1035 -144.265 98.8514 PRESSAVG: 260800 -27.835 -28.9352 -16.7787 -28.9352 -1.03101 -15.0348 -16.7786 -15.0349 36.7533 GPRESSAVG: 260800 -28.1582 -30.5341 -17.6997 -28.4761 -1.8567 -15.0083 -17.2491 -14.4505 37.7117 TIMING: 260800 CPU: 758.006, 0.00288867/step Wall: 758.006, 0.00288867/step, 3.80277 hours remaining, 201.468750 MB of memory in use. ENERGY: 260800 763.8470 2077.2007 1952.8102 110.6173 -206152.8892 17716.1218 0.0000 0.0000 34068.2621 -149464.0301 297.5266 -183532.2922 -149360.8424 298.0944 28.6229 62.1535 557315.2082 2.6291 2.5656 PRESSURE: 261000 -98.2747 -52.7951 213.688 -52.7958 -15.7487 9.44187 213.688 9.44292 -96.4172 GPRESSURE: 261000 -71.9657 -23.06 214.259 -123.389 23.3766 -3.89291 212.588 29.1023 -61.8704 PRESSAVG: 261000 66.0513 -10.681 8.49041 -10.6811 -35.9965 3.35021 8.49038 3.3502 -14.0658 GPRESSAVG: 261000 67.2558 -10.3603 9.13407 -10.0162 -36.0911 2.80397 7.72379 4.00439 -14.9587 TIMING: 261000 CPU: 758.584, 0.00289367/step Wall: 758.584, 0.00289367/step, 3.8092 hours remaining, 201.468750 MB of memory in use. ENERGY: 261000 750.8472 2086.1737 1962.9343 112.5849 -206628.4926 18052.8738 0.0000 0.0000 34313.8317 -149349.2470 299.6712 -183663.0788 -149246.5142 298.7066 -70.1469 -36.8199 557679.1751 5.3296 5.4020 PRESSURE: 261200 -110.045 -147.489 26.0712 -147.489 -236.782 105.224 26.0705 105.223 -139.379 GPRESSURE: 261200 -103.98 -200.516 22.1572 -153.472 -163.146 134.707 101.897 86.7215 -126.677 PRESSAVG: 261200 38.0491 -26.5363 -4.13538 -26.5362 34.5831 -20.9682 -4.1354 -20.9681 -77.7196 GPRESSAVG: 261200 36.8733 -26.965 -4.84777 -27.4169 34.8222 -18.5487 -2.38229 -22.2599 -76.6366 TIMING: 261200 CPU: 759.161, 0.00288522/step Wall: 759.161, 0.00288522/step, 3.79791 hours remaining, 201.468750 MB of memory in use. ENERGY: 261200 800.8270 2093.9523 1984.8332 130.3442 -206151.6956 17574.7088 0.0000 0.0000 34053.5584 -149513.4715 297.3982 -183567.0300 -149424.3686 298.0587 -162.0687 -131.2678 556109.3775 -1.6958 -1.6471 PRESSURE: 261400 -316.249 38.4389 14.3015 38.438 189.072 -49.3209 14.3018 -49.3206 221.193 GPRESSURE: 261400 -231.409 38.8895 -20.0097 39.564 245.357 -41.9293 18.8401 -83.7661 171.745 PRESSAVG: 261400 -31.2287 -15.0772 -24.8408 -15.0772 13.0112 -65.9926 -24.8407 -65.9925 19.0042 GPRESSAVG: 261400 -31.6291 -16.2957 -25.4763 -14.8013 13.5974 -69.037 -23.4783 -63.8113 19.0526 TIMING: 261400 CPU: 759.736, 0.00287432/step Wall: 759.736, 0.00287432/step, 3.78341 hours remaining, 201.468750 MB of memory in use. ENERGY: 261400 777.0330 2087.9177 1967.0706 107.5610 -206702.5636 18002.5346 0.0000 0.0000 34372.1874 -149388.2595 300.1809 -183760.4469 -149289.9179 298.9765 31.3384 61.8977 555926.3836 0.2622 0.3403 PRESSURE: 261600 74.1382 110.43 -13.0063 110.43 -30.1549 -167.063 -13.0071 -167.062 -33.1458 GPRESSURE: 261600 126.197 60.4212 -86.9099 148.216 -36.2166 -47.6604 82.4915 -162.194 4.0821 PRESSAVG: 261600 -14.0592 35.7112 -48.2214 35.7112 5.10345 9.06233 -48.2214 9.06246 14.9128 GPRESSAVG: 261600 -13.6021 37.6889 -48.0228 34.8404 4.53638 9.08731 -49.0504 9.65442 15.1038 TIMING: 261600 CPU: 760.315, 0.00289352/step Wall: 760.315, 0.00289352/step, 3.80852 hours remaining, 201.593750 MB of memory in use. ENERGY: 261600 740.7673 2101.0259 1972.4980 105.3421 -206419.7705 18017.0634 0.0000 0.0000 34127.4050 -149355.6688 298.0431 -183483.0738 -149266.1201 298.9889 3.6125 31.3541 557774.9914 1.9857 2.0127 PRESSURE: 261800 -249.191 79.4539 -46.2008 79.4533 -297.377 -153.469 -46.1995 -153.473 -120.057 GPRESSURE: 261800 -174.096 60.3171 -46.2498 75.0091 -284.361 -131.415 31.1486 -142.017 -103.483 PRESSAVG: 261800 16.6054 59.7663 -29.6045 59.7663 -61.9721 -35.6196 -29.6045 -35.6195 55.4805 GPRESSAVG: 261800 18.1699 57.9298 -29.1164 60.7006 -62.8028 -33.5976 -30.9737 -38.0266 54.7921 TIMING: 261800 CPU: 760.897, 0.00290742/step Wall: 760.897, 0.00290742/step, 3.82665 hours remaining, 201.593750 MB of memory in use. ENERGY: 261800 742.7800 2137.6284 1980.2558 127.1512 -205904.4517 17455.9123 0.0000 0.0000 34093.2042 -149367.5197 297.7444 -183460.7239 -149276.1901 298.7696 -222.2082 -187.3133 558796.4669 3.3713 3.3864 PRESSURE: 262000 107.505 -127.953 114.876 -127.954 104.484 89.4456 114.876 89.445 161.207 GPRESSURE: 262000 100.912 -124.575 110.347 -40.3834 90.9716 86.595 113.893 56.7681 263.228 PRESSAVG: 262000 -52.2015 27.3482 0.0297062 27.3482 2.28445 -6.63036 0.0296592 -6.63031 98.9338 GPRESSAVG: 262000 -53.7833 27.7048 -0.4967 26.3454 2.2153 -8.95795 0.573581 -5.78198 99.911 TIMING: 262000 CPU: 761.478, 0.00290984/step Wall: 761.478, 0.00290984/step, 3.82967 hours remaining, 201.593750 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: 262000 774.9740 2071.5406 1949.4739 116.9085 -206540.0883 17991.3746 0.0000 0.0000 34263.1870 -149372.6298 299.2289 -183635.8168 -149274.3955 299.1045 124.3987 151.7042 557495.7875 16.3389 16.1143 PRESSURE: 262200 42.2946 12.2525 -311.088 12.2505 -14.2587 80.7671 -311.089 80.7672 155.336 GPRESSURE: 262200 84.401 34.2295 -292.488 10.5942 36.8915 -64.4245 -322.333 142.353 167.146 PRESSAVG: 262200 -23.8061 12.6662 -4.57375 12.6662 2.4226 14.5699 -4.57366 14.57 25.2093 GPRESSAVG: 262200 -23.595 13.9044 -4.02138 13.5618 3.15466 13.3617 -5.20394 18.2966 24.1637 TIMING: 262200 CPU: 762.057, 0.00289275/step Wall: 762.057, 0.00289275/step, 3.80702 hours remaining, 201.593750 MB of memory in use. ENERGY: 262200 716.2454 2131.2030 1976.4726 119.0737 -206396.2628 17829.2467 0.0000 0.0000 34339.7339 -149284.2875 299.8974 -183624.0214 -149184.1818 298.5291 61.1241 96.1462 557834.6646 1.2753 1.2411 PRESSURE: 262400 1.76437 5.63417 99.3636 5.63346 119.841 -87.4589 99.3633 -87.4589 -69.4546 GPRESSURE: 262400 21.8573 -4.17631 62.7376 77.8725 163.391 -76.3841 97.735 -11.2591 -26.8155 PRESSAVG: 262400 -10.8401 10.1064 -39.9839 10.1064 -35.1705 22.4237 -39.9839 22.4238 51.575 GPRESSAVG: 262400 -10.6479 10.5799 -41.4763 9.4458 -35.1577 24.4852 -37.5131 19.052 51.7956 TIMING: 262400 CPU: 762.634, 0.00288261/step Wall: 762.634, 0.00288261/step, 3.79351 hours remaining, 201.593750 MB of memory in use. ENERGY: 262400 768.9360 2067.4972 1987.4489 110.9055 -206525.5799 17974.7503 0.0000 0.0000 34521.0051 -149095.0369 301.4805 -183616.0419 -148991.6588 299.9667 17.3837 52.8109 557986.4843 1.8548 1.9967 PRESSURE: 262600 -50.9155 131.806 -165.411 131.807 161.722 22.218 -165.412 22.2181 188.845 GPRESSURE: 262600 -50.767 73.0932 -172.124 176.427 245.875 48.995 -250.12 -1.83618 202.612 PRESSAVG: 262600 8.87794 19.2531 5.6949 19.253 -35.8188 6.15856 5.69489 6.15857 19.2034 GPRESSAVG: 262600 7.6393 18.2897 8.00846 20.6748 -35.0984 4.96652 2.75882 6.49459 19.6108 TIMING: 262600 CPU: 763.211, 0.00288796/step Wall: 763.211, 0.00288796/step, 3.80039 hours remaining, 201.593750 MB of memory in use. ENERGY: 262600 785.2138 2123.0056 1992.1942 105.3381 -206667.2625 18209.2729 0.0000 0.0000 34352.0387 -149100.1992 300.0049 -183452.2379 -149002.0648 299.0449 99.8838 132.5736 557852.8514 -2.5792 -2.6161 PRESSURE: 262800 -189.657 29.4072 -152.199 29.4071 -140.654 -72.6224 -152.2 -72.6222 170.056 GPRESSURE: 262800 -228.341 28.6678 -171.183 98.9912 -49.2197 -105.669 -152.835 -17.5737 204.792 PRESSAVG: 262800 -17.968 23.368 -11.3098 23.3681 -7.38523 -32.1191 -11.3098 -32.1192 25.9518 GPRESSAVG: 262800 -16.065 21.688 -11.5372 24.5264 -6.5724 -31.6987 -11.2982 -31.7236 23.9668 TIMING: 262800 CPU: 763.79, 0.00289254/step Wall: 763.79, 0.00289254/step, 3.80626 hours remaining, 201.593750 MB of memory in use. ENERGY: 262800 811.9084 2158.7671 1983.3297 118.1320 -205987.5324 17765.4888 0.0000 0.0000 34259.8056 -148890.1009 299.1994 -183149.9064 -148803.7919 299.0509 -53.4183 -24.2563 558261.2386 0.1995 0.4431 PRESSURE: 263000 -39.4447 -65.0388 -13.8544 -65.038 -174.955 -86.0723 -13.8551 -86.0712 -233.726 GPRESSURE: 263000 22.5784 -24.7118 73.6639 -68.4079 -181.356 -107.252 -20.4145 -81.3756 -195.318 PRESSAVG: 263000 -1.12037 2.11148 -0.640997 2.11146 -21.2901 -7.9295 -0.641049 -7.92949 89.2516 GPRESSAVG: 263000 -1.7274 4.47581 -3.403 -0.66015 -21.1334 -7.07861 -1.21014 -6.43446 90.2077 TIMING: 263000 CPU: 764.371, 0.00290818/step Wall: 764.371, 0.00290818/step, 3.82668 hours remaining, 201.593750 MB of memory in use. ENERGY: 263000 765.0177 2095.4773 1983.1262 120.9821 -205937.5293 17588.5866 0.0000 0.0000 34495.0141 -148889.3254 301.2535 -183384.3395 -148795.5778 300.1177 -149.3750 -118.0318 557279.9377 22.2804 22.4490 PRESSURE: 263200 -136.475 124.833 -17.7681 124.833 267.385 -29.5194 -17.7673 -29.5194 -21.0916 GPRESSURE: 263200 -84.9683 -25.2862 -14.276 176.148 255.294 -5.79065 -30.1928 6.76786 29.2337 PRESSAVG: 263200 41.5355 -10.9169 -64.1285 -10.9169 4.96596 -14.9683 -64.1286 -14.9684 -9.32424 GPRESSAVG: 263200 42.0515 -12.0994 -62.0646 -9.56733 4.45542 -14.5574 -61.8448 -16.4402 -9.40439 TIMING: 263200 CPU: 764.951, 0.00290019/step Wall: 764.951, 0.00290019/step, 3.81601 hours remaining, 201.593750 MB of memory in use. ENERGY: 263200 745.3216 2113.7736 1975.7074 110.0032 -205796.7620 17631.3444 0.0000 0.0000 34145.1643 -149075.4475 298.1982 -183220.6118 -148986.5393 300.1925 36.6062 66.5198 557821.4847 12.3924 12.3675 PRESSURE: 263400 87.2327 -129.077 -70.7452 -129.078 -2.09262 -2.48288 -70.7452 -2.48484 -143.506 GPRESSURE: 263400 70.8981 -114.893 -154.692 -120.091 106.429 47.3218 -45.8805 -12.7716 -139.87 PRESSAVG: 263400 -31.5288 -12.7328 -1.12124 -12.7328 29.5779 51.4015 -1.12123 51.4016 -0.511844 GPRESSAVG: 263400 -32.2161 -12.3454 -1.7121 -13.356 29.6922 48.957 -2.66577 51.0383 0.234924 TIMING: 263400 CPU: 765.533, 0.00290906/step Wall: 765.533, 0.00290906/step, 3.82752 hours remaining, 201.593750 MB of memory in use. ENERGY: 263400 760.3715 2021.3429 1984.6912 107.8803 -206525.5645 17952.2732 0.0000 0.0000 34398.0879 -149300.9174 300.4071 -183699.0053 -149197.0300 299.8807 -19.4555 12.4857 558676.8412 -0.8209 -0.7630 PRESSURE: 263600 -132.54 66.8405 -40.4813 66.8408 66.4748 -111.267 -40.4817 -111.27 -102.313 GPRESSURE: 263600 -84.0892 15.3328 -8.82614 32.6872 92.6553 -79.3995 -118.749 -176.064 -63.1567 PRESSAVG: 263600 17.1686 33.7123 16.3476 33.7123 -31.7417 -0.159071 16.3477 -0.159005 -12.7891 GPRESSAVG: 263600 17.4976 32.8578 17.6734 32.0221 -31.6898 2.809 15.3036 -0.975409 -13.1389 TIMING: 263600 CPU: 766.112, 0.00289597/step Wall: 766.112, 0.00289597/step, 3.81013 hours remaining, 201.593750 MB of memory in use. ENERGY: 263600 721.1141 2080.1290 1959.3891 120.2868 -206292.4966 17923.7067 0.0000 0.0000 34068.9574 -149418.9135 297.5327 -183487.8710 -149319.8254 298.6420 -56.1260 -18.1969 558754.3411 -9.1207 -9.1103 PRESSURE: 263800 7.60487 71.2678 30.014 71.2675 212.946 0.60374 30.0137 0.604218 -38.2373 GPRESSURE: 263800 -6.60303 72.4334 102.709 20.5468 277.06 26.7441 101.341 -56.6651 4.5173 PRESSAVG: 263800 -47.0901 42.8232 -50.3568 42.8232 43.478 -34.7295 -50.3569 -34.7296 -0.737002 GPRESSAVG: 263800 -47.1478 43.8586 -50.9978 43.9144 44.1365 -34.6635 -49.1908 -34.6581 -0.517047 TIMING: 263800 CPU: 766.692, 0.00289689/step Wall: 766.692, 0.00289689/step, 3.81118 hours remaining, 201.593750 MB of memory in use. ENERGY: 263800 726.4989 2122.2388 1988.3888 113.7855 -206345.8910 17802.4144 0.0000 0.0000 34271.5251 -149321.0394 299.3018 -183592.5645 -149222.6847 298.8538 60.7713 91.6580 556843.5247 -1.4497 -1.1761 PRESSURE: 264000 -89.6878 225.209 -28.6252 225.209 76.8074 155.124 -28.6245 155.125 134.056 GPRESSURE: 264000 -75.5384 207.843 36.2412 253.829 107.664 110.998 -34.9724 202.815 178.466 PRESSAVG: 264000 2.79294 48.2002 -19.508 48.2002 28.2673 61.3903 -19.5079 61.3902 -19.922 GPRESSAVG: 264000 2.4867 48.5461 -17.7386 49.2164 28.4533 60.8541 -20.7879 61.9769 -19.3557 TIMING: 264000 CPU: 767.274, 0.00291113/step Wall: 767.274, 0.00291113/step, 3.82976 hours remaining, 201.746094 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: 264000 721.2942 2139.0407 1973.1181 111.5202 -206101.6772 17767.0425 0.0000 0.0000 33952.6780 -149436.9834 296.5172 -183389.6614 -149337.5084 298.9902 40.3917 70.1970 557441.2188 3.7127 3.8615 PRESSURE: 264200 -95.983 -9.57473 146.682 -9.57355 -157.977 -32.8956 146.683 -32.8948 -226.184 GPRESSURE: 264200 -98.3012 5.31927 104.441 -39.5372 -126.332 -117.548 142.166 40.8998 -158.355 PRESSAVG: 264200 -21.7157 4.35588 9.58075 4.3558 -58.5307 -48.0988 9.58094 -48.0988 53.1061 GPRESSAVG: 264200 -21.9309 4.21178 9.58407 3.3805 -58.447 -48.7882 9.22783 -47.4423 53.159 TIMING: 264200 CPU: 767.858, 0.0029197/step Wall: 767.858, 0.0029197/step, 3.84087 hours remaining, 201.746094 MB of memory in use. ENERGY: 264200 750.6103 2130.7776 1998.1320 111.1274 -205996.7145 17579.4308 0.0000 0.0000 34035.0064 -149391.6300 297.2362 -183426.6364 -149300.4175 298.4555 -160.0479 -127.6626 558247.7156 -9.0468 -9.0730 LDB: ============= START OF LOAD BALANCING ============== 771.325 LDB: ============== END OF LOAD BALANCING =============== 771.325 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 771.327 LDB: ============= START OF LOAD BALANCING ============== 771.619 LDB: Largest compute 4820 load 0.028720 is 24.5% of average load 0.117345 LDB: Average compute 0.001738 is 1.5% of average load 0.117345 LDB: TIME 771.621 LOAD: AVG 0.117345 MAX 0.178122 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.375 MB LDB: TIME 771.622 LOAD: AVG 0.117345 MAX 0.178122 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.488 MB LDB: TIME 771.622 LOAD: AVG 0.117345 MAX 0.178122 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 771.624 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 771.627 PRESSURE: 264400 110.664 -9.16587 -121.053 -9.16748 23.3694 44.7459 -121.053 44.7463 -0.25562 GPRESSURE: 264400 111.777 -65.4837 -66.521 -56.2752 46.8797 113.929 -130.617 73.543 76.7893 PRESSAVG: 264400 42.2719 -51.2758 26.6958 -51.2758 7.45546 -71.6578 26.6958 -71.6577 -14.1493 GPRESSAVG: 264400 44.0187 -51.8419 26.2728 -51.2797 6.52344 -72.6899 27.0487 -71.5226 -15.112 TIMING: 264400 CPU: 768.452, 0.00297197/step Wall: 768.452, 0.00297197/step, 3.90946 hours remaining, 201.238281 MB of memory in use. ENERGY: 264400 754.2718 2135.8693 1977.9392 119.5868 -206255.9549 17819.7788 0.0000 0.0000 34060.3819 -149388.1272 297.4578 -183448.5091 -149294.0200 298.0623 44.5927 78.4820 557253.4575 11.8593 11.8100 PRESSURE: 264600 -101.288 -27.8346 264.064 -27.8348 59.9814 25.5982 264.064 25.5989 -171.606 GPRESSURE: 264600 -97.1644 -6.84703 257.754 -16.4438 51.4247 50.1364 238.541 -12.751 -67.3325 PRESSAVG: 264600 9.3358 -12.3121 25.6691 -12.3121 -29.8894 28.077 25.6692 28.077 -19.0322 GPRESSAVG: 264600 8.62801 -10.6693 23.2978 -13.2866 -29.8691 29.4999 27.6302 28.4174 -18.3045 TIMING: 264600 CPU: 769.034, 0.00290753/step Wall: 769.034, 0.00290753/step, 3.82453 hours remaining, 201.238281 MB of memory in use. ENERGY: 264600 757.4722 2146.1720 1975.0105 112.0048 -206392.2918 17815.5736 0.0000 0.0000 34121.3427 -149464.7161 297.9902 -183586.0588 -149380.8265 298.1555 -70.9708 -37.6907 558161.6716 -13.1953 -13.1819 PRESSURE: 264800 -104.79 -86.4118 -116.198 -86.411 89.8734 122.057 -116.199 122.057 -4.95441 GPRESSURE: 264800 -45.0122 -146.865 -161.149 -14.8347 112.177 111.776 -173.164 66.9756 1.55526 PRESSAVG: 264800 48.0667 -30.8013 13.1502 -30.8013 -25.3118 0.991723 13.1502 0.991865 27.7782 GPRESSAVG: 264800 47.6154 -32.1717 14.6384 -29.1983 -24.6127 -0.223713 11.1606 2.48543 27.7594 TIMING: 264800 CPU: 769.606, 0.00286229/step Wall: 769.606, 0.00286229/step, 3.76487 hours remaining, 201.238281 MB of memory in use. ENERGY: 264800 731.8168 2067.8089 1997.9464 110.7636 -206289.3740 17780.5574 0.0000 0.0000 34173.6335 -149426.8475 298.4468 -183600.4810 -149324.4741 298.0892 -6.6237 22.9068 557250.6697 16.8444 16.9207 PRESSURE: 265000 -192.671 -49.2268 -54.657 -49.2263 194.86 61.8994 -54.6553 61.9009 -27.4154 GPRESSURE: 265000 -146.394 17.1509 -28.8315 -39.2397 215.659 80.7647 -86.9376 71.504 -8.39889 PRESSAVG: 265000 -2.05269 -25.8134 -24.0282 -25.8134 -47.7114 42.1833 -24.0281 42.1834 22.5915 GPRESSAVG: 265000 -1.46888 -25.2779 -22.6521 -25.7156 -48.065 42.694 -23.6602 42.3493 22.0294 TIMING: 265000 CPU: 770.182, 0.00288024/step Wall: 770.182, 0.00288024/step, 3.78832 hours remaining, 201.238281 MB of memory in use. ENERGY: 265000 746.8544 2128.8741 1977.8298 111.1011 -206131.4643 17709.0292 0.0000 0.0000 34141.7696 -149316.0060 298.1686 -183457.7756 -149216.1174 298.2800 -8.4090 20.2889 556449.6486 -9.0575 -9.1682 PRESSURE: 265200 -106.887 -73.0617 -108.772 -73.0626 39.2056 -52.4792 -108.772 -52.4793 -303.868 GPRESSURE: 265200 -83.5266 -130.162 -108.441 -145.752 60.3466 -57.4967 -58.0241 -50.7613 -253.909 PRESSAVG: 265200 47.7695 -9.41486 52.1387 -9.41489 -67.0384 -22.6484 52.1386 -22.6485 39.1627 GPRESSAVG: 265200 47.6825 -10.2248 49.5134 -9.84692 -67.9716 -23.287 53.8947 -24.1911 40.2688 TIMING: 265200 CPU: 770.759, 0.00288252/step Wall: 770.759, 0.00288252/step, 3.79116 hours remaining, 201.238281 MB of memory in use. ENERGY: 265200 767.9162 2175.9550 1991.8350 112.6264 -206176.4743 17650.1586 0.0000 0.0000 33973.3554 -149504.6277 296.6978 -183477.9831 -149404.5536 298.3867 -123.8499 -92.3631 556690.6880 6.6313 6.6599 PRESSURE: 265400 -245.018 87.1376 -108.628 87.1375 -187.86 155.554 -108.63 155.553 -170.895 GPRESSURE: 265400 -255.864 -63.2369 -75.5695 102.4 -110.799 193.494 -54.0101 98.2178 -146.714 PRESSAVG: 265400 -22.1883 -80.7234 -11.3917 -80.7234 79.3714 -14.7105 -11.3918 -14.7104 -28.3097 GPRESSAVG: 265400 -21.9522 -78.5127 -9.53866 -81.5597 79.908 -13.5429 -10.8656 -14.0188 -28.8952 TIMING: 265400 CPU: 771.336, 0.00288528/step Wall: 771.336, 0.00288528/step, 3.79462 hours remaining, 201.238281 MB of memory in use. ENERGY: 265400 733.3192 2104.6894 1974.9307 116.0809 -206051.5028 17517.1612 0.0000 0.0000 34026.4116 -149578.9099 297.1611 -183605.3214 -149482.4809 297.8024 -201.2578 -171.1253 557620.0721 9.6245 9.6869 PRESSURE: 265600 -106.914 55.4987 197.086 55.4998 84.1837 -42.0494 197.085 -42.0475 184.526 GPRESSURE: 265600 -85.1829 51.4627 207.911 13.7432 108.246 -64.7544 81.6433 -10.6935 223.551 PRESSAVG: 265600 11.5426 -70.0056 -42.6706 -70.0056 33.1089 12.0389 -42.6706 12.0387 -39.9025 GPRESSAVG: 265600 10.9902 -72.3472 -43.3606 -68.7755 32.1017 8.87519 -45.1575 13.4272 -38.5584 TIMING: 265600 CPU: 771.918, 0.00291149/step Wall: 771.918, 0.00291149/step, 3.82894 hours remaining, 201.238281 MB of memory in use. ENERGY: 265600 754.0447 2055.5458 1988.2650 115.0153 -206378.7343 17847.1614 0.0000 0.0000 34027.3801 -149591.3220 297.1696 -183618.7020 -149498.6284 298.6551 53.9318 82.2047 556503.3803 1.5830 1.5112 PRESSURE: 265800 177.347 76.5697 -179.978 76.5696 -25.871 -6.35757 -179.978 -6.35878 167.809 GPRESSURE: 265800 217.369 83.9323 -126.815 11.2978 -7.25084 -81.0992 -218.977 -60.2392 195.392 PRESSAVG: 265800 -54.6726 -33.2256 -7.03259 -33.2256 -2.16231 -28.9556 -7.03255 -28.9555 23.1749 GPRESSAVG: 265800 -53.8724 -32.9469 -6.29221 -35.5144 -1.54937 -28.1626 -5.34249 -30.4734 22.3531 TIMING: 265800 CPU: 772.498, 0.00289755/step Wall: 772.498, 0.00289755/step, 3.81044 hours remaining, 201.238281 MB of memory in use. ENERGY: 265800 727.5046 2127.0860 1971.6110 119.0422 -206790.8085 18283.6922 0.0000 0.0000 33923.1490 -149638.7236 296.2593 -183561.8726 -149549.0907 297.9008 106.4283 135.1702 558445.1876 -11.2200 -11.0229 PRESSURE: 266000 -42.0503 197.945 -60.3789 197.945 121.687 -10.5978 -60.3789 -10.5977 -112.292 GPRESSURE: 266000 -6.58488 143.218 -45.0546 182.115 117.624 -118.631 -94.8627 0.905633 -61.155 PRESSAVG: 266000 28.9656 13.8322 -58.2888 13.8323 12.0186 -58.291 -58.2888 -58.291 3.11637 GPRESSAVG: 266000 28.2359 12.5248 -57.9108 15.5604 11.7929 -59.0461 -60.2208 -57.7697 4.42237 TIMING: 266000 CPU: 773.07, 0.00286221/step Wall: 773.07, 0.00286221/step, 3.76381 hours remaining, 201.238281 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: 266000 737.5857 2046.2003 1998.5638 104.8094 -206246.6877 17796.8818 0.0000 0.0000 34212.7078 -149349.9390 298.7881 -183562.6468 -149257.3454 298.2674 -10.8850 16.6279 558358.6246 14.7002 14.8171 PRESSURE: 266200 -108.627 -65.4837 -12.1936 -65.4842 29.6058 -54.5871 -12.193 -54.5876 108.751 GPRESSURE: 266200 -46.1604 -66.4505 78.0455 -135.837 68.2555 -43.6347 -11.7821 -36.8049 111.28 PRESSAVG: 266200 0.229281 49.3718 10.3765 49.3717 -4.59031 -42.5125 10.3765 -42.5127 2.55364 GPRESSAVG: 266200 0.637442 49.972 9.80116 48.0748 -3.5878 -42.0316 9.4792 -42.6077 1.23267 TIMING: 266200 CPU: 773.647, 0.00288238/step Wall: 773.647, 0.00288238/step, 3.79017 hours remaining, 201.238281 MB of memory in use. ENERGY: 266200 759.8735 2096.4022 1945.3815 111.1078 -206430.2285 17975.1310 0.0000 0.0000 34156.6494 -149385.6831 298.2985 -183542.3325 -149289.3232 298.6352 9.9099 44.4583 557935.8949 -0.6025 -0.5726 PRESSURE: 266400 61.7495 -20.0191 35.3756 -20.0196 36.6934 -186.156 35.3759 -186.155 -195.863 GPRESSURE: 266400 74.7513 -8.15443 34.1802 -11.7644 75.584 -118.146 133.719 -213.124 -164.248 PRESSAVG: 266400 -1.77962 65.0346 -25.1782 65.0347 3.73485 -35.9766 -25.1782 -35.9765 7.68788 GPRESSAVG: 266400 -0.829888 65.6422 -25.9147 65.816 3.62959 -33.0404 -21.5679 -37.3446 6.90623 TIMING: 266400 CPU: 774.227, 0.00290232/step Wall: 774.227, 0.00290232/step, 3.81623 hours remaining, 201.238281 MB of memory in use. ENERGY: 266400 738.9970 2079.6522 1969.8015 122.4206 -206025.4093 17605.4178 0.0000 0.0000 34057.0209 -149452.0993 297.4284 -183509.1202 -149353.8525 298.1469 -32.4732 -4.6376 557225.2983 3.2144 3.2353 PRESSURE: 266600 -182.747 -108.53 -45.4479 -108.53 -84.0497 76.1458 -45.4479 76.148 -286.809 GPRESSURE: 266600 -174.827 -148.907 17.7384 -73.9053 -69.8928 -38.7691 -75.3018 125.374 -209.206 PRESSAVG: 266600 19.4797 -14.7237 -4.27474 -14.7238 3.59516 -59.2204 -4.27467 -59.2204 -50.1324 GPRESSAVG: 266600 18.4159 -14.9297 -5.3537 -14.2918 3.28196 -60.3237 -4.64529 -58.3661 -48.901 TIMING: 266600 CPU: 774.807, 0.00289926/step Wall: 774.807, 0.00289926/step, 3.81205 hours remaining, 201.238281 MB of memory in use. ENERGY: 266600 778.2107 2102.7986 1979.5683 113.8487 -206089.2292 17562.1016 0.0000 0.0000 34235.9628 -149316.7386 298.9912 -183552.7014 -149217.8229 299.2255 -184.5351 -151.3086 556738.6081 -9.0192 -9.0677 PRESSURE: 266800 -203.389 158.412 -61.1986 158.412 -173.57 -17.5277 -61.1986 -17.5281 -210.157 GPRESSURE: 266800 -249.53 46.2508 -96.8783 105.25 -148.364 -72.9162 -42.0163 2.63595 -98.1132 PRESSAVG: 266800 17.1478 -20.8191 79.2449 -20.8192 4.02229 -11.2557 79.2449 -11.2557 11.3481 GPRESSAVG: 266800 17.7341 -19.0838 80.0074 -21.067 4.45615 -13.5466 79.374 -11.9657 9.85904 TIMING: 266800 CPU: 775.386, 0.00289521/step Wall: 775.386, 0.00289521/step, 3.80656 hours remaining, 201.238281 MB of memory in use. ENERGY: 266800 768.7039 2088.8249 1978.3702 120.6035 -206058.5643 17710.4546 0.0000 0.0000 34206.6439 -149184.9633 298.7351 -183391.6072 -149081.4728 298.9640 -195.7053 -165.3355 558557.2199 10.8394 10.6831 PRESSURE: 267000 -366.735 -170.125 -69.0301 -170.124 -277.328 -134.194 -69.0294 -134.195 -437.225 GPRESSURE: 267000 -362.537 -209.077 -64.4284 -98.3399 -221.337 -109.737 -22.1935 -122.34 -398.856 PRESSAVG: 267000 -11.9906 -6.50336 -30.4785 -6.50337 21.1895 -52.883 -30.4785 -52.883 10.5893 GPRESSAVG: 267000 -11.6941 -6.5566 -29.664 -6.85327 20.3713 -51.8996 -31.262 -53.3034 10.4627 TIMING: 267000 CPU: 775.964, 0.00289182/step Wall: 775.964, 0.00289182/step, 3.80194 hours remaining, 201.238281 MB of memory in use. ENERGY: 267000 784.9342 2091.9867 1985.0221 123.0109 -205727.4381 17365.8876 0.0000 0.0000 34137.4994 -149239.0972 298.1313 -183376.5966 -149140.1006 298.6859 -360.4292 -327.5767 559580.6416 6.5961 6.3800 PRESSURE: 267200 -111.058 10.0964 35.9297 10.095 -79.1724 -197.037 35.9312 -197.037 -235.908 GPRESSURE: 267200 -111.312 24.8431 -21.5099 -112.298 -81.1833 -224.174 81.5457 -144.27 -133.486 PRESSAVG: 267200 55.429 -12.1077 15.5081 -12.1077 -69.649 -56.5111 15.5082 -56.5111 -20.4605 GPRESSAVG: 267200 53.8917 -11.5868 16.1496 -11.8699 -69.4689 -56.7081 17.3225 -56.2092 -19.4805 TIMING: 267200 CPU: 776.542, 0.00288627/step Wall: 776.542, 0.00288627/step, 3.79448 hours remaining, 201.238281 MB of memory in use. ENERGY: 267200 755.3022 2073.2961 1980.7019 129.2141 -206227.2034 17770.0321 0.0000 0.0000 34206.7979 -149311.8590 298.7365 -183518.6569 -149219.6872 298.8927 -142.0460 -108.6604 558429.2871 -11.5602 -11.6859 PRESSURE: 267400 -196.434 10.5225 53.8842 10.5231 -66.1887 -24.5716 53.884 -24.5702 -151.011 GPRESSURE: 267400 -176.146 35.0369 41.7052 -15.5879 32.2277 -34.1043 49.1181 20.5849 -176.277 PRESSAVG: 267400 70.2557 -29.4679 19.986 -29.4678 -18.9064 -36.1744 19.986 -36.1743 -44.1139 GPRESSAVG: 267400 70.8908 -29.3051 17.3044 -31.7772 -19.2453 -35.5136 18.767 -34.4145 -44.3347 TIMING: 267400 CPU: 777.122, 0.00290385/step Wall: 777.122, 0.00290385/step, 3.81744 hours remaining, 201.238281 MB of memory in use. ENERGY: 267400 745.2394 2101.3709 1961.3569 97.2661 -206253.1704 17667.3564 0.0000 0.0000 34264.7891 -149415.7916 299.2429 -183680.5807 -149320.9139 298.7762 -137.8779 -106.7317 557850.8192 2.4118 2.4369 PRESSURE: 267600 -54.0164 76.563 117.261 76.5617 -6.01345 65.2696 117.261 65.2696 0.0619848 GPRESSURE: 267600 -23.3735 44.1675 -8.43465 119.638 42.8843 30.4899 143.395 79.884 23.7985 PRESSAVG: 267600 15.5323 33.596 3.49722 33.596 20.2836 -8.97531 3.49723 -8.9753 -40.7404 GPRESSAVG: 267600 15.7659 32.6936 4.80997 37.5907 20.1271 -8.86301 2.08035 -9.96619 -40.0781 TIMING: 267600 CPU: 777.703, 0.00290153/step Wall: 777.703, 0.00290153/step, 3.81422 hours remaining, 201.238281 MB of memory in use. ENERGY: 267600 757.3814 2137.5552 1940.5067 128.9612 -206497.1263 17888.3376 0.0000 0.0000 34227.5645 -149416.8196 298.9178 -183644.3841 -149322.8517 298.4127 -19.9893 14.4364 555590.0262 -1.6415 -1.3950 PRESSURE: 267800 69.4014 29.5522 10.5013 29.5531 85.2202 62.6294 10.5008 62.6297 173.198 GPRESSURE: 267800 83.9543 1.46887 33.8588 90.4611 116.218 40.5897 -67.6788 117.988 218.701 PRESSAVG: 267800 22.5421 10.4115 -46.2377 10.4113 -3.74618 7.04472 -46.2377 7.0447 -33.8959 GPRESSAVG: 267800 22.4721 10.2479 -45.1114 6.89543 -3.24558 5.66548 -46.8939 8.04309 -34.3756 TIMING: 267800 CPU: 778.285, 0.00291276/step Wall: 778.285, 0.00291276/step, 3.82882 hours remaining, 201.238281 MB of memory in use. ENERGY: 267800 749.3379 2125.1275 1965.4256 119.8836 -206836.9311 18079.4839 0.0000 0.0000 34309.5773 -149488.0954 299.6341 -183797.6727 -149387.5898 298.8005 109.2733 139.6246 556094.9237 -5.0333 -5.0497 PRESSURE: 268000 -285.277 -28.0611 195.477 -28.06 -14.6068 -47.2322 195.477 -47.2316 42.8275 GPRESSURE: 268000 -224.931 21.2644 142.857 -70.5395 3.67763 -33.8418 163.356 -17.4779 54.0822 PRESSAVG: 268000 45.3272 -16.1566 13.221 -16.1565 -27.4098 -1.75956 13.221 -1.7596 -37.7083 GPRESSAVG: 268000 44.7976 -16.5929 11.7527 -15.1597 -27.3247 -0.254777 15.2947 -1.8095 -37.2683 TIMING: 268000 CPU: 778.867, 0.0029069/step Wall: 778.867, 0.0029069/step, 3.82096 hours remaining, 201.238281 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: 268000 843.7728 2138.7188 1965.3435 97.7743 -206479.6097 17882.6596 0.0000 0.0000 34132.3758 -149418.9649 298.0865 -183551.3407 -149313.5357 298.3336 -85.6854 -55.7238 555341.9199 -6.5970 -6.5985 PRESSURE: 268200 14.0025 70.5401 68.6614 70.539 -58.8173 84.2105 68.6618 84.2104 -172.652 GPRESSURE: 268200 23.5099 156.361 30.0379 -16.2908 -22.5252 94.2642 7.03594 116.45 -130.883 PRESSAVG: 268200 25.1191 -17.4534 31.9014 -17.4534 -34.245 24.0957 31.9014 24.0957 2.47319 GPRESSAVG: 268200 26.1786 -16.5122 33.6507 -18.9795 -35.0956 24.5738 28.2306 22.0524 2.61277 TIMING: 268200 CPU: 779.447, 0.00290114/step Wall: 779.447, 0.00290114/step, 3.81323 hours remaining, 201.238281 MB of memory in use. ENERGY: 268200 751.3953 2117.8296 2010.9817 118.5251 -206439.2496 17762.3403 0.0000 0.0000 34191.4753 -149486.7024 298.6027 -183678.1777 -149384.5713 298.4771 -72.4890 -43.2994 556449.8148 -2.2176 -2.1014 LDB: ============= START OF LOAD BALANCING ============== 782.915 LDB: ============== END OF LOAD BALANCING =============== 782.916 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 782.917 LDB: ============= START OF LOAD BALANCING ============== 783.208 LDB: Largest compute 4820 load 0.028575 is 24.4% of average load 0.117334 LDB: Average compute 0.001738 is 1.5% of average load 0.117334 LDB: TIME 783.211 LOAD: AVG 0.117334 MAX 0.17716 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.207 MB LDB: TIME 783.211 LOAD: AVG 0.117334 MAX 0.17716 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.207 MB LDB: TIME 783.211 LOAD: AVG 0.117334 MAX 0.17716 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 783.213 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 783.217 PRESSURE: 268400 19.3813 72.6126 42.8998 72.6131 -50.7192 91.5606 42.898 91.5601 31.1515 GPRESSURE: 268400 61.6813 100.903 60.4648 58.2406 -64.5613 21.7818 28.3243 105.272 91.788 PRESSAVG: 268400 29.5087 -8.5267 12.4133 -8.52681 39.1605 -4.02216 12.4132 -4.02218 -35.1284 GPRESSAVG: 268400 29.5705 -9.82819 10.839 -5.83675 39.1381 -5.6353 15.6089 -2.40038 -35.4843 TIMING: 268400 CPU: 780.042, 0.00297485/step Wall: 780.042, 0.00297485/step, 3.90994 hours remaining, 201.535156 MB of memory in use. ENERGY: 268400 763.6997 2173.8666 1953.9976 108.6928 -206648.1407 17838.6789 0.0000 0.0000 34277.6188 -149531.5864 299.3550 -183809.2052 -149437.0423 298.2199 -0.0621 29.6360 556103.5513 11.1803 11.0748 PRESSURE: 268600 -257.69 -97.7117 -76.8093 -97.7121 -154.551 113.804 -76.8084 113.806 -52.9211 GPRESSURE: 268600 -263.066 -118.532 -148.394 -97.8737 -135.834 88.2481 10.4344 112.94 28.6288 PRESSAVG: 268600 25.1818 4.37868 -2.46734 4.37876 -16.6514 -12.2584 -2.46736 -12.2583 -3.32289 GPRESSAVG: 268600 24.0003 4.99385 -1.20184 3.26609 -16.3591 -12.3664 -2.95638 -11.3913 -3.08649 TIMING: 268600 CPU: 780.619, 0.00288828/step Wall: 780.619, 0.00288828/step, 3.796 hours remaining, 201.535156 MB of memory in use. ENERGY: 268600 765.3510 2126.3569 1966.3885 114.3622 -206484.8572 17882.5625 0.0000 0.0000 34102.4517 -149527.3846 297.8252 -183629.8362 -149438.7699 298.4991 -155.0542 -123.4237 559297.6082 1.7359 1.5182 PRESSURE: 268800 38.7552 -30.888 16.6935 -30.8882 52.5526 233.468 16.6924 233.469 -143.659 GPRESSURE: 268800 52.1788 32.6503 13.1274 -150.387 81.527 189.514 55.4868 278.162 -85.7788 PRESSAVG: 268800 2.41423 -14.4791 26.1574 -14.479 -83.6441 -41.4926 26.1574 -41.4926 47.1119 GPRESSAVG: 268800 2.96624 -15.5713 24.5739 -15.2249 -83.254 -40.9628 26.4048 -42.8226 45.8776 TIMING: 268800 CPU: 781.2, 0.00290295/step Wall: 781.2, 0.00290295/step, 3.81512 hours remaining, 201.535156 MB of memory in use. ENERGY: 268800 809.9403 2094.2102 1990.8263 112.8443 -206691.5645 18084.9084 0.0000 0.0000 34392.1256 -149206.7094 300.3550 -183598.8350 -149107.1094 298.7641 -17.4503 15.9757 557184.1427 -11.3726 -11.4701 PRESSURE: 269000 -18.7244 -172.388 67.1953 -172.389 107.931 -173.822 67.1955 -173.823 -120.346 GPRESSURE: 269000 4.73544 -222.191 42.9304 -114.936 109.187 -239.192 27.3035 -118.56 -67.8002 PRESSAVG: 269000 1.71806 -41.7107 57.9594 -41.7107 -0.388246 -4.21227 57.9594 -4.21228 33.9095 GPRESSAVG: 269000 0.829423 -40.4874 56.9725 -40.0836 -1.12952 -4.7093 58.0539 -3.86381 35.2141 TIMING: 269000 CPU: 781.777, 0.00288396/step Wall: 781.777, 0.00288396/step, 3.79 hours remaining, 201.535156 MB of memory in use. ENERGY: 269000 741.9325 2059.5927 1948.0485 120.0158 -206267.3864 17924.0707 0.0000 0.0000 34144.0072 -149329.7190 298.1881 -183473.7262 -149233.5481 298.5401 -10.3796 15.3740 558172.6405 11.7464 11.6380 PRESSURE: 269200 -11.9273 0.00958075 -124.283 0.0104189 -8.53129 -156.728 -124.284 -156.728 -12.5029 GPRESSURE: 269200 32.26 -34.8857 -169 88.1249 -10.0876 -129.772 -56.0368 -156.746 46.1224 PRESSAVG: 269200 5.21374 -3.85116 14.3973 -3.8511 -8.36519 -31.3102 14.3974 -31.3101 34.484 GPRESSAVG: 269200 5.74463 -3.70132 18.4569 -3.90364 -8.90454 -30.7626 12.5601 -33.5904 34.9654 TIMING: 269200 CPU: 782.349, 0.00286323/step Wall: 782.349, 0.00286323/step, 3.7626 hours remaining, 201.535156 MB of memory in use. ENERGY: 269200 772.8700 2090.0780 1959.5312 97.7620 -206403.8147 17931.2473 0.0000 0.0000 34081.1109 -149471.2151 297.6388 -183552.3261 -149378.0188 298.5745 -10.9872 22.7649 557311.2484 10.4442 10.6018 PRESSURE: 269400 92.9959 63.707 34.9447 63.7065 -40.1452 -86.2034 34.9448 -86.2032 -169.383 GPRESSURE: 269400 154.628 89.5429 58.4119 -3.69552 -59.0543 -31.309 75.254 -110.372 -112.011 PRESSAVG: 269400 57.8379 2.05892 -43.6967 2.05889 13.6923 55.5972 -43.6967 55.5973 -67.5861 GPRESSAVG: 269400 57.528 2.55088 -45.3177 1.76138 13.8563 57.3288 -41.8335 55.3378 -67.2102 TIMING: 269400 CPU: 782.929, 0.00289567/step Wall: 782.929, 0.00289567/step, 3.80507 hours remaining, 201.535156 MB of memory in use. ENERGY: 269400 731.6845 2111.1595 1981.2720 120.7328 -205901.7345 17576.8095 0.0000 0.0000 34088.9479 -149291.1281 297.7073 -183380.0761 -149194.6831 298.5292 -38.8441 -5.4792 556681.5954 1.3147 1.3914 PRESSURE: 269600 -188.845 12.3988 91.6146 12.3994 -102.326 -12.6202 91.6148 -12.6204 116.846 GPRESSURE: 269600 -117.814 26.2485 139.025 -7.9541 -106.986 52.0858 87.939 -66.6713 141.167 PRESSAVG: 269600 -57.34 -19.7783 41.9049 -19.7783 60.6135 16.0971 41.9049 16.0972 -17.8228 GPRESSAVG: 269600 -56.3685 -19.5585 42.2887 -20.7336 61.5017 15.4157 39.8571 17.2618 -19.8125 TIMING: 269600 CPU: 783.511, 0.00290982/step Wall: 783.511, 0.00290982/step, 3.8235 hours remaining, 201.535156 MB of memory in use. ENERGY: 269600 746.1102 2080.8794 1976.4771 112.5869 -206119.0063 17720.5529 0.0000 0.0000 34325.3504 -149157.0495 299.7718 -183482.3998 -149058.0454 299.0613 -58.1086 -27.8776 557224.3620 -4.8498 -4.8931 PRESSURE: 269800 173.543 -114.359 -18.2931 -114.36 119.767 -34.0175 -18.2926 -34.0156 218.516 GPRESSURE: 269800 197.532 -131.063 21.4439 -150.474 165.724 -34.5309 -7.16464 -12.4095 239.87 PRESSAVG: 269800 -78.0082 17.3408 56.7175 17.3408 -26.7556 -16.3022 56.7175 -16.3023 113.267 GPRESSAVG: 269800 -77.8483 15.4283 57.1752 18.2302 -26.4779 -18.1806 57.1126 -14.4862 112.833 TIMING: 269800 CPU: 784.088, 0.00288879/step Wall: 784.088, 0.00288879/step, 3.79571 hours remaining, 201.535156 MB of memory in use. ENERGY: 269800 732.1812 2084.5155 1981.1082 135.9699 -206448.1931 18034.9966 0.0000 0.0000 34457.6997 -149021.7220 300.9277 -183479.4217 -148923.9675 300.0372 170.6089 201.0420 556030.0709 2.8343 2.8355 PRESSURE: 270000 -98.4587 -238.473 -235.006 -238.473 35.6974 4.5469 -235.006 4.54558 49.1542 GPRESSURE: 270000 -10.0173 -201.906 -338.369 -194.637 82.517 -79.4826 -228.011 64.0879 10.8174 PRESSAVG: 270000 25.1767 -17.4895 -25.7509 -17.4894 -48.9088 8.60444 -25.7508 8.60445 -2.2136 GPRESSAVG: 270000 24.9518 -15.9089 -28.5288 -17.1265 -48.9654 9.99209 -23.4107 6.55167 -1.77394 TIMING: 270000 CPU: 784.666, 0.00288623/step Wall: 784.666, 0.00288623/step, 3.79218 hours remaining, 201.535156 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: 270000 740.7056 2095.4711 1951.3489 108.4616 -206088.9284 17761.7160 0.0000 0.0000 34333.2164 -149098.0088 299.8405 -183431.2252 -149003.3601 299.7688 -4.5357 27.7724 556272.0699 -8.6486 -8.5959 PRESSURE: 270200 6.19496 -19.63 -9.4087 -19.6293 106.546 58.2792 -9.40902 58.2788 -325.768 GPRESSURE: 270200 29.5354 -111.122 30.3654 -36.3275 140.712 126.926 -141.086 30.607 -284.369 PRESSAVG: 270200 -42.5579 -80.7151 -4.81407 -80.7151 47.4696 19.2033 -4.81396 19.2033 -15.8817 GPRESSAVG: 270200 -41.3653 -81.1772 -3.7482 -83.8368 46.6149 17.0656 -5.07285 20.8199 -16.1967 TIMING: 270200 CPU: 785.244, 0.00289118/step Wall: 785.244, 0.00289118/step, 3.79853 hours remaining, 201.535156 MB of memory in use. ENERGY: 270200 815.0636 2102.1101 1973.8962 111.7293 -206170.9866 17737.5838 0.0000 0.0000 34331.5417 -149099.0620 299.8259 -183430.6037 -148999.9734 299.9179 -71.0089 -38.0405 556187.1774 -3.6567 -3.6491 PRESSURE: 270400 68.5505 154.429 -25.9721 154.429 -101.378 61.4032 -25.9724 61.4032 229.279 GPRESSURE: 270400 143.85 124.666 -8.49099 155.82 -57.2835 125.851 -59.1703 15.4902 217.162 PRESSAVG: 270400 27.2411 10.6552 -9.38155 10.6552 10.5776 -42.4063 -9.38152 -42.4063 -27.4241 GPRESSAVG: 270400 27.3596 11.2451 -9.21276 11.855 10.4123 -39.7838 -9.12132 -42.9064 -28.3307 TIMING: 270400 CPU: 785.827, 0.00291592/step Wall: 785.827, 0.00291592/step, 3.83087 hours remaining, 201.691406 MB of memory in use. ENERGY: 270400 740.3378 2063.1267 1985.6314 123.3243 -206184.4575 17972.6403 0.0000 0.0000 34232.8348 -149066.5621 298.9639 -183299.3969 -148972.0730 299.4055 65.4838 101.2429 559222.3700 3.4648 3.1470 PRESSURE: 270600 -131.966 77.1946 66.3057 77.1949 -46.7234 -64.942 66.3071 -64.9418 -338.569 GPRESSURE: 270600 -46.3935 155.28 -37.6794 26.5464 15.028 -106.208 60.9906 -107.917 -389.667 PRESSAVG: 270600 -32.4959 -13.3319 -43.9712 -13.3319 23.8541 5.9926 -43.9712 5.99243 -60.2477 GPRESSAVG: 270600 -33.1645 -12.0374 -43.9091 -14.6549 23.1877 3.96451 -45.1939 5.62805 -58.798 TIMING: 270600 CPU: 786.405, 0.00289144/step Wall: 786.405, 0.00289144/step, 3.79855 hours remaining, 201.691406 MB of memory in use. ENERGY: 270600 748.7624 2081.0560 1998.0452 123.1322 -205700.2679 17548.7275 0.0000 0.0000 34328.8992 -148871.6453 299.8028 -183200.5445 -148770.9744 299.2138 -172.4194 -140.3441 559129.4935 -22.9632 -22.9249 PRESSURE: 270800 -160.547 158.993 -62.3107 158.994 -117.451 49.6276 -62.3117 49.6274 -85.4215 GPRESSURE: 270800 -165.716 147.379 26.3702 80.0466 -35.7849 118.89 -35.2375 -32.8187 -59.9567 PRESSAVG: 270800 25.7119 34.7163 -28.9747 34.7163 54.4159 -24.6119 -28.9746 -24.6117 -55.8665 GPRESSAVG: 270800 25.4038 31.8336 -30.0148 36.5091 55.3069 -23.7461 -27.7892 -24.9537 -56.4793 TIMING: 270800 CPU: 786.987, 0.00290926/step Wall: 786.987, 0.00290926/step, 3.8218 hours remaining, 201.691406 MB of memory in use. ENERGY: 270800 739.9609 2105.0017 1972.9854 113.9706 -205941.0845 17631.2543 0.0000 0.0000 34511.3471 -148866.5645 301.3962 -183377.9116 -148764.7464 299.7447 -121.1399 -87.1527 557499.9289 8.0871 8.0771 PRESSURE: 271000 -19.0832 46.8294 100.584 46.8286 -72.6809 88.5923 100.584 88.5913 82.0153 GPRESSURE: 271000 43.1975 142.818 67.2442 -11.9527 -9.90099 86.5394 123.7 73.128 65.0723 PRESSAVG: 271000 -80.6316 38.8674 24.9753 38.8675 54.9639 -8.37285 24.9752 -8.37295 1.77165 GPRESSAVG: 271000 -81.3423 40.1159 26.2687 40.5874 54.9745 -7.92398 24.4107 -9.57117 1.85331 TIMING: 271000 CPU: 787.566, 0.00289487/step Wall: 787.566, 0.00289487/step, 3.80273 hours remaining, 201.691406 MB of memory in use. ENERGY: 271000 731.2727 2117.5866 1998.6116 107.9813 -206184.2645 17871.9903 0.0000 0.0000 34483.2347 -148873.5873 301.1507 -183356.8219 -148777.8748 300.5717 -3.2496 32.7896 557791.4635 -7.9654 -8.1715 PRESSURE: 271200 -177.388 -4.68542 55.3279 -4.68528 212.062 -49.3016 55.3279 -49.3036 36.7786 GPRESSURE: 271200 -139.493 15.8957 101.912 -21.0369 220.767 -82.4385 119.585 82.5601 95.9762 PRESSAVG: 271200 -98.5066 11.3034 11.0957 11.3034 116.589 -42.1433 11.0958 -42.1434 -32.5627 GPRESSAVG: 271200 -97.2581 11.0613 10.9719 10.0121 115.848 -45.0641 10.1259 -39.1329 -33.4027 TIMING: 271200 CPU: 788.149, 0.0029158/step Wall: 788.149, 0.0029158/step, 3.83007 hours remaining, 201.691406 MB of memory in use. ENERGY: 271200 754.4096 2117.9002 1966.2155 110.9420 -206172.1922 17914.8074 0.0000 0.0000 34247.4836 -149060.4339 299.0918 -183307.9175 -148974.8427 299.4971 23.8176 59.0835 557012.7511 -4.8268 -4.9377 PRESSURE: 271400 143.731 -29.1097 41.7022 -29.1099 -8.50885 -80.9349 41.7024 -80.9338 -105.002 GPRESSURE: 271400 219.022 -52.7131 48.3726 -94.4535 -12.2651 -51.4806 19.9085 -72.5347 -85.0671 PRESSAVG: 271400 21.9018 -7.18217 -21.6816 -7.18217 -8.51532 15.5118 -21.6816 15.5117 -23.7514 GPRESSAVG: 271400 20.1559 -6.42842 -21.9611 -8.08205 -8.95213 16.3905 -20.428 14.651 -22.0407 TIMING: 271400 CPU: 788.732, 0.00291383/step Wall: 788.732, 0.00291383/step, 3.82732 hours remaining, 201.691406 MB of memory in use. ENERGY: 271400 743.0261 2122.3636 1991.1073 119.2096 -206154.8433 17859.2417 0.0000 0.0000 34374.5555 -148945.3395 300.2015 -183319.8950 -148859.5332 299.8665 10.0736 40.5633 557304.9767 -3.4550 -3.6123 PRESSURE: 271600 -290.384 -163.633 -102.422 -163.633 -189.45 -174.694 -102.422 -174.695 -140.107 GPRESSURE: 271600 -261.835 -216.182 -97.5049 -186.015 -202.319 -175.846 -55.0849 -166.971 -76.534 PRESSAVG: 271600 -21.6744 -7.84618 5.40278 -7.84619 -52.5561 -28.2804 5.40276 -28.2803 31.948 GPRESSAVG: 271600 -21.3288 -8.78486 6.80633 -7.05507 -51.9962 -26.793 4.13076 -29.6383 31.1009 TIMING: 271600 CPU: 789.315, 0.00291658/step Wall: 789.315, 0.00291658/step, 3.83076 hours remaining, 201.691406 MB of memory in use. ENERGY: 271600 719.0784 2127.6933 1975.4538 131.0041 -205799.4933 17529.1384 0.0000 0.0000 34283.9685 -149033.1568 299.4104 -183317.1252 -148934.2877 299.5792 -206.6471 -180.2292 558272.1109 -14.0942 -14.0747 PRESSURE: 271800 173.788 58.383 -39.1463 58.3821 -86.5773 -66.0604 -39.1474 -66.062 -93.5589 GPRESSURE: 271800 152.792 149.303 -48.6519 21.9488 -41.333 -128.795 -88.1298 -51.7626 -24.3556 PRESSAVG: 271800 -39.1372 1.8388 38.5595 1.8388 10.3588 42.1988 38.5596 42.1988 30.8403 GPRESSAVG: 271800 -40.4411 1.68784 36.864 0.923897 10.7998 40.798 40.7594 42.6916 31.8513 TIMING: 271800 CPU: 789.894, 0.00289526/step Wall: 789.894, 0.00289526/step, 3.8026 hours remaining, 201.691406 MB of memory in use. ENERGY: 271800 721.3990 2104.5594 1952.1864 115.3907 -206188.2942 17968.0671 0.0000 0.0000 34375.2609 -148951.4307 300.2077 -183326.6915 -148857.3698 299.3769 -2.1162 29.0346 558311.5859 0.6873 0.7367 PRESSURE: 272000 78.7967 39.0015 -206.901 39.0018 -232.645 34.548 -206.9 34.5479 188.626 GPRESSURE: 272000 193.254 25.8595 -161.855 95.8666 -206.061 -32.7234 -173.461 58.4282 157.581 PRESSAVG: 272000 -24.268 7.36153 -34.1032 7.36161 -35.3521 -7.94383 -34.1032 -7.94375 73.811 GPRESSAVG: 272000 -21.8157 9.05981 -34.0911 7.76852 -35.3415 -7.4428 -36.1348 -7.97132 71.6035 TIMING: 272000 CPU: 790.473, 0.00289282/step Wall: 790.473, 0.00289282/step, 3.79923 hours remaining, 201.691406 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: 272000 701.7526 2069.9602 1981.2426 100.4603 -205894.0929 17787.2087 0.0000 0.0000 34191.1821 -149062.2865 298.6001 -183253.4686 -148968.4026 299.3753 11.5924 48.2577 558512.9884 4.7303 4.8154 PRESSURE: 272200 -30.9413 -100.791 -3.14188 -100.791 -96.9974 -36.4469 -3.14241 -36.4468 87.7235 GPRESSURE: 272200 -57.4496 -26.401 39.6393 -56.9334 -81.8222 -26.9808 -78.5438 -10.6218 182.158 PRESSAVG: 272200 9.77017 -10.397 -3.27614 -10.3969 -39.9999 9.77795 -3.27615 9.77797 38.3439 GPRESSAVG: 272200 8.34849 -12.9188 -3.38008 -9.03969 -40.1292 8.97294 -0.773276 7.5171 39.4253 TIMING: 272200 CPU: 791.056, 0.00291518/step Wall: 791.056, 0.00291518/step, 3.82844 hours remaining, 201.691406 MB of memory in use. ENERGY: 272200 729.8640 2110.5638 1975.0411 113.4502 -205913.5838 17810.0030 0.0000 0.0000 34123.7217 -149050.9399 298.0109 -183174.6616 -148961.9818 298.9088 -13.4051 14.2956 558573.6971 2.7047 2.5482 LDB: ============= START OF LOAD BALANCING ============== 794.523 LDB: ============== END OF LOAD BALANCING =============== 794.523 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 794.524 LDB: ============= START OF LOAD BALANCING ============== 794.816 LDB: Largest compute 4820 load 0.030180 is 25.7% of average load 0.117393 LDB: Average compute 0.001746 is 1.5% of average load 0.117393 LDB: TIME 794.818 LOAD: AVG 0.117393 MAX 0.177029 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.75 MB LDB: TIME 794.819 LOAD: AVG 0.117393 MAX 0.177029 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.75 MB LDB: TIME 794.819 LOAD: AVG 0.117393 MAX 0.177029 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 794.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 794.824 PRESSURE: 272400 4.08697 -91.3813 14.003 -91.3818 -73.1783 -173.674 14.0031 -173.673 -100.033 GPRESSURE: 272400 16.2439 -89.2302 -36.3157 4.03023 -55.7955 -177.312 53.7135 -91.5542 -41.6544 PRESSAVG: 272400 -36.7368 -20.0742 -25.0138 -20.0742 -57.4742 73.5805 -25.0139 73.5804 61.3724 GPRESSAVG: 272400 -36.8191 -18.7813 -25.8286 -22.6119 -57.8104 73.5104 -25.8934 74.0651 61.5151 TIMING: 272400 CPU: 791.649, 0.00296565/step Wall: 791.649, 0.00296565/step, 3.89456 hours remaining, 203.824219 MB of memory in use. ENERGY: 272400 752.5494 2077.5026 1983.3249 116.4638 -206070.3166 17695.8318 0.0000 0.0000 34307.7069 -149136.9370 299.6177 -183444.6440 -149041.5899 299.3455 -56.3746 -27.0687 557454.6438 -10.9462 -11.0381 PRESSURE: 272600 -24.4843 -32.6947 -48.1585 -32.6939 18.5011 -31.9084 -48.159 -31.9085 112.105 GPRESSURE: 272600 46.3807 -10.3901 -59.1198 -157.427 108.291 18.8062 -24.9102 -31.8352 56.8138 PRESSAVG: 272600 -28.2176 -77.1691 29.1642 -77.1691 38.5994 18.4841 29.1643 18.4841 1.41653 GPRESSAVG: 272600 -27.5063 -74.7672 30.8376 -78.2751 38.9009 19.0309 28.5514 18.9908 0.552927 TIMING: 272600 CPU: 792.228, 0.00289296/step Wall: 792.228, 0.00289296/step, 3.79894 hours remaining, 203.824219 MB of memory in use. ENERGY: 272600 763.6671 2019.7772 1942.6421 109.3816 -206224.5660 17880.9940 0.0000 0.0000 34439.3692 -149068.7349 300.7676 -183508.1041 -148977.0703 299.4248 35.3740 70.4953 557759.6417 3.9328 3.9825 PRESSURE: 272800 -49.48 -51.9332 -15.5207 -51.9341 -118.068 -52.2768 -15.5201 -52.2789 -122.898 GPRESSURE: 272800 0.564968 -75.627 90.8821 -62.8757 -155.012 -27.9378 -7.39802 -103.033 -30.2194 PRESSAVG: 272800 -15.7301 -36.0571 -36.0131 -36.057 18.3793 1.35588 -36.0132 1.35577 39.1281 GPRESSAVG: 272800 -15.874 -38.5305 -36.4829 -33.4196 18.153 0.0277066 -35.9248 1.61279 39.3916 TIMING: 272800 CPU: 792.812, 0.00292361/step Wall: 792.812, 0.00292361/step, 3.83902 hours remaining, 203.824219 MB of memory in use. ENERGY: 272800 732.4395 2094.6592 1970.8270 119.6409 -206084.0815 17622.5130 0.0000 0.0000 34471.2986 -149072.7034 301.0464 -183544.0019 -148972.7220 300.1644 -96.8151 -61.5555 557342.8857 13.9258 13.8902 PRESSURE: 273000 -98.1998 -38.4885 -80.3614 -38.4883 154.411 17.0923 -80.3605 17.0925 1.57532 GPRESSURE: 273000 -41.189 -9.05751 -11.1798 -13.2423 143.772 47.6896 -104.119 -93.1393 46.3665 PRESSAVG: 273000 -5.66471 4.43343 -88.5303 4.43337 -3.6504 -50.721 -88.5303 -50.7209 -5.41931 GPRESSAVG: 273000 -6.14129 7.58826 -87.2431 0.431122 -3.08877 -48.3589 -88.8805 -51.0974 -5.2806 TIMING: 273000 CPU: 793.391, 0.0028939/step Wall: 793.391, 0.0028939/step, 3.79985 hours remaining, 203.824219 MB of memory in use. ENERGY: 273000 785.1677 2120.9416 1974.4848 125.4720 -206315.9382 17875.9362 0.0000 0.0000 34458.1547 -148975.7811 300.9316 -183433.9358 -148874.6917 299.7811 19.2621 49.6500 557346.7203 -4.9115 -4.8369 PRESSURE: 273200 -301.41 -16.8495 -87.0069 -16.8493 -61.7021 -22.6487 -87.0077 -22.6472 134.927 GPRESSURE: 273200 -316.582 -66.4706 -54.1944 107.62 -39.658 -46.178 -97.1313 49.9528 220.941 PRESSAVG: 273200 -47.1099 -21.7811 -85.2288 -21.7811 -47.0636 -5.45222 -85.2288 -5.45223 96.5138 GPRESSAVG: 273200 -46.4934 -25.5234 -84.8305 -19.2411 -47.9145 -4.79476 -85.359 -6.63759 96.9832 TIMING: 273200 CPU: 793.969, 0.00288966/step Wall: 793.969, 0.00288966/step, 3.79412 hours remaining, 203.824219 MB of memory in use. ENERGY: 273200 792.9641 2041.7307 1981.5816 103.9330 -205979.8348 17785.7098 0.0000 0.0000 34174.4859 -149099.4298 298.4543 -183273.9156 -149002.3104 299.3108 -76.0618 -45.0996 557938.5744 0.7801 0.8584 PRESSURE: 273400 -216.912 -21.2796 -207.692 -21.2793 -30.1076 -87.4419 -207.692 -87.4428 -283.722 GPRESSURE: 273400 -192.479 -62.9891 -190.841 52.3749 -30.3701 -62.6809 -172.509 -113.416 -215.309 PRESSAVG: 273400 1.76167 29.9378 -47.4134 29.9379 -36.7635 -11.2725 -47.4135 -11.2724 30.1849 GPRESSAVG: 273400 0.842708 31.7801 -50.0645 30.0351 -35.6067 -14.1435 -45.7981 -10.9377 29.6969 TIMING: 273400 CPU: 794.553, 0.00292153/step Wall: 794.553, 0.00292153/step, 3.83581 hours remaining, 203.824219 MB of memory in use. ENERGY: 273400 760.9886 2115.3806 1978.8447 123.8665 -205808.2726 17528.7413 0.0000 0.0000 34204.0602 -149096.3908 298.7126 -183300.4510 -148994.3866 299.2193 -176.9137 -146.0525 558508.2949 -1.6057 -1.6890 PRESSURE: 273600 17.058 36.1336 -57.1096 36.1337 -129.063 -6.36532 -57.1096 -6.36588 -151.174 GPRESSURE: 273600 56.1452 28.1089 -3.48484 -14.8494 -120.817 56.4443 -23.4982 -10.549 -105.979 PRESSAVG: 273600 24.3679 -23.7601 -6.78597 -23.7602 23.8549 8.77064 -6.78594 8.77069 -31.992 GPRESSAVG: 273600 25.0156 -24.3153 -4.64785 -24.2987 22.7174 11.5447 -7.33171 9.64637 -31.557 TIMING: 273600 CPU: 795.139, 0.00292625/step Wall: 795.139, 0.00292625/step, 3.84185 hours remaining, 203.824219 MB of memory in use. ENERGY: 273600 721.6303 2092.3003 1968.8216 108.1695 -205925.1179 17790.5440 0.0000 0.0000 34040.6575 -149202.9947 297.2855 -183243.6522 -149105.9562 300.0169 -87.7266 -56.8838 559735.6220 5.4103 5.3920 PRESSURE: 273800 -203.712 116.87 61.5696 116.871 -309.385 -86.4597 61.5693 -86.4604 -126.629 GPRESSURE: 273800 -198.805 111.377 58.3557 130.438 -282.976 35.8511 67.287 -125.049 -62.7835 PRESSAVG: 273800 27.6378 -15.4091 17.2935 -15.4091 -41.5883 83.5174 17.2933 83.5174 -35.5638 GPRESSAVG: 273800 27.3836 -15.4082 16.8163 -15.7654 -41.0616 81.2612 17.3476 83.3812 -35.7449 TIMING: 273800 CPU: 795.721, 0.00291286/step Wall: 795.721, 0.00291286/step, 3.8241 hours remaining, 203.824219 MB of memory in use. ENERGY: 273800 766.2944 2087.1693 1963.4612 110.1202 -205725.9353 17417.2557 0.0000 0.0000 34171.1583 -149210.4762 298.4252 -183381.6345 -149115.5893 299.3581 -213.2419 -181.5215 559256.7088 -16.5048 -16.4743 PRESSURE: 274000 6.68519 34.3458 78.1068 34.3471 -124.975 -38.0674 78.1065 -38.0677 -179.113 GPRESSURE: 274000 52.4001 47.8813 64.889 27.5458 -77.0666 12.9611 133.088 -140.891 -177.966 PRESSAVG: 274000 -45.6299 -18.8722 50.9035 -18.8723 -9.30923 11.8427 50.9034 11.8427 67.6193 GPRESSAVG: 274000 -46.5157 -21.7833 49.8813 -16.7776 -9.25834 11.5506 49.9319 12.8652 68.0856 TIMING: 274000 CPU: 796.307, 0.00292728/step Wall: 796.307, 0.00292728/step, 3.84287 hours remaining, 203.824219 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: 274000 707.0183 2074.4716 1973.9934 105.0148 -206412.0838 17873.3554 0.0000 0.0000 34397.3440 -149280.8863 300.4006 -183678.2303 -149187.3395 299.1249 -99.1342 -67.5442 558314.9137 4.2267 4.1038 PRESSURE: 274200 -255.497 12.8974 4.84213 12.8991 -22.6986 -65.7183 4.84114 -65.7176 -206.485 GPRESSURE: 274200 -234.233 34.4869 63.083 17.4066 50.6761 -103.626 -24.0709 -55.0686 -213.486 PRESSAVG: 274200 -2.41096 -13.4808 104.219 -13.4807 -31.6865 -30.9066 104.219 -30.9066 26.3811 GPRESSAVG: 274200 -0.616632 -13.1434 105.793 -12.6321 -30.8703 -29.9774 105.062 -32.841 23.9083 TIMING: 274200 CPU: 796.883, 0.00288056/step Wall: 796.883, 0.00288056/step, 3.78137 hours remaining, 203.824219 MB of memory in use. ENERGY: 274200 761.0804 2080.3867 2017.1170 121.5363 -206007.8792 17550.0413 0.0000 0.0000 34348.4617 -149129.2559 299.9737 -183477.7176 -149038.4173 299.1382 -161.5604 -132.3475 557600.6063 -2.5721 -2.5262 PRESSURE: 274400 64.5828 -183.907 19.5319 -183.906 33.8965 -34.2654 19.5332 -34.2665 156.855 GPRESSURE: 274400 52.3282 -205.349 63.7309 -211.601 73.5795 19.5637 -49.1392 -86.6442 227.246 PRESSAVG: 274400 -35.7282 -61.3297 30.0242 -61.3298 38.4577 -57.2371 30.0241 -57.2372 -19.5915 GPRESSAVG: 274400 -37.0164 -60.6889 29.1182 -61.462 38.9822 -58.1518 29.3424 -55.3462 -18.4157 TIMING: 274400 CPU: 797.457, 0.00287014/step Wall: 797.457, 0.00287014/step, 3.76754 hours remaining, 203.824219 MB of memory in use. ENERGY: 274400 720.6139 2097.4111 1986.6435 125.3250 -206336.8774 17863.1365 0.0000 0.0000 34522.6394 -149021.1079 301.4948 -183543.7473 -148919.5703 299.9378 85.1114 117.7180 557069.7698 -5.6206 -5.4833 PRESSURE: 274600 -134.695 -30.5759 46.9319 -30.5764 10.3945 103.67 46.9318 103.668 137.212 GPRESSURE: 274600 -78.1788 -39.9171 58.9056 -101.598 37.6536 99.8404 49.6505 42.0508 154.976 PRESSAVG: 274600 -4.44937 -10.5806 -64.4518 -10.5806 1.56971 25.8676 -64.4518 25.8676 -17.7637 GPRESSAVG: 274600 -3.36334 -11.8406 -65.2756 -11.0789 1.10844 26.0196 -63.3481 24.1495 -18.0702 TIMING: 274600 CPU: 798.034, 0.00288743/step Wall: 798.034, 0.00288743/step, 3.79007 hours remaining, 203.824219 MB of memory in use. ENERGY: 274600 743.3042 2156.5026 1959.8212 123.7053 -205936.4602 17620.2103 0.0000 0.0000 34181.9743 -149150.9422 298.5197 -183332.9165 -149053.3408 299.6475 4.3041 38.1503 557186.3037 -6.8811 -6.7750 PRESSURE: 274800 -128.337 -125.703 -172.133 -125.704 -249.289 -30.7816 -172.133 -30.7807 53.6959 GPRESSURE: 274800 -98.507 -83.334 -158.939 -131.358 -193.456 -78.6422 -171.386 -38.4553 64.5613 PRESSAVG: 274800 24.7292 -7.97634 1.19784 -7.97638 1.69738 24.995 1.19779 24.9951 -15.1064 GPRESSAVG: 274800 23.8093 -7.83959 2.17092 -8.28964 1.18946 24.5089 -0.00183609 25.4983 -14.0088 TIMING: 274800 CPU: 798.616, 0.00290672/step Wall: 798.616, 0.00290672/step, 3.81523 hours remaining, 204.085938 MB of memory in use. ENERGY: 274800 716.3989 2143.0879 1966.5449 124.0071 -206015.6349 17665.8703 0.0000 0.0000 34093.0633 -149306.6624 297.7432 -183399.7258 -149209.9708 299.4554 -107.9767 -75.8007 558056.0055 3.7734 3.6633 PRESSURE: 275000 44.2144 -55.9826 40.6586 -55.9824 -7.42457 37.9988 40.6574 37.9974 -209.982 GPRESSURE: 275000 73.8579 -14.8713 -10.5431 -78.4592 -0.409178 93.1564 116.489 -5.14878 -172.197 PRESSAVG: 275000 -38.3452 -44.9487 -2.79394 -44.9486 2.43381 -27.5742 -2.79393 -27.5742 10.4372 GPRESSAVG: 275000 -37.8325 -44.0081 -3.77739 -45.5756 1.267 -23.9936 -0.501179 -27.8312 11.1691 TIMING: 275000 CPU: 799.198, 0.0029098/step Wall: 799.198, 0.0029098/step, 3.81911 hours remaining, 204.085938 MB of memory in use. ENERGY: 275000 754.4549 2155.0912 1974.3630 117.1033 -206303.0414 17841.1882 0.0000 0.0000 34169.3066 -149291.5343 298.4091 -183460.8409 -149196.9082 298.8864 -57.7308 -32.9160 557383.8216 -8.4914 -8.4655 PRESSURE: 275200 241.85 37.4802 -24.8717 37.4801 -74.2448 45.7226 -24.8714 45.7229 -148.877 GPRESSURE: 275200 200.116 -31.039 -42.3418 47.4752 -11.6367 -10.2347 -42.5588 122.188 -78.2033 PRESSAVG: 275200 18.3191 -22.7625 36.3297 -22.7624 10.6786 27.3357 36.3296 27.3358 -15.5149 GPRESSAVG: 275200 18.4878 -22.1177 37.9844 -22.3424 12.1289 27.5515 35.3292 27.0317 -16.7082 TIMING: 275200 CPU: 799.782, 0.00292212/step Wall: 799.782, 0.00292211/step, 3.83511 hours remaining, 204.085938 MB of memory in use. ENERGY: 275200 745.7854 2161.4406 1984.1583 110.9043 -206297.4439 17902.6344 0.0000 0.0000 34090.2054 -149302.3155 297.7182 -183392.5209 -149209.3994 299.0727 6.2426 36.7586 557508.6870 4.4943 4.6362 PRESSURE: 275400 168.263 81.9139 -7.43956 81.9139 122.459 -37.8815 -7.43908 -37.8804 -81.2393 GPRESSURE: 275400 219.813 195.077 -22.4955 77.0781 149.469 -39.6603 21.703 -24.3302 -59.7685 PRESSAVG: 275400 -89.7728 39.162 34.7213 39.1621 50.4383 -3.37585 34.7213 -3.37583 10.1758 GPRESSAVG: 275400 -90.2613 39.6975 32.6995 36.1788 50.5768 -4.78484 34.0345 -2.47146 10.8301 TIMING: 275400 CPU: 800.364, 0.00291174/step Wall: 800.364, 0.00291174/step, 3.82133 hours remaining, 204.085938 MB of memory in use. ENERGY: 275400 794.2754 2110.3773 1977.8106 110.4392 -206447.6389 18150.7785 0.0000 0.0000 34031.8671 -149272.0909 297.2088 -183303.9580 -149171.5947 298.7988 69.8274 103.1711 556654.7946 -9.7196 -9.6181 PRESSURE: 275600 90.4221 41.8366 26.3562 41.835 154.976 232.912 26.3555 232.912 263.194 GPRESSURE: 275600 113.719 94.3028 -39.2338 16.6793 221.773 161.858 41.7514 277.086 262.841 PRESSAVG: 275600 -8.06865 26.8486 9.64377 26.8487 31.5454 2.75815 9.64381 2.75823 -12.2523 GPRESSAVG: 275600 -8.28099 27.1982 12.5513 28.6573 31.8328 3.68507 9.12031 2.05555 -12.6181 TIMING: 275600 CPU: 800.944, 0.00289587/step Wall: 800.944, 0.00289587/step, 3.80035 hours remaining, 204.085938 MB of memory in use. ENERGY: 275600 733.2031 2053.0517 1985.0418 115.7260 -206587.2418 18130.0780 0.0000 0.0000 34382.3393 -149187.8020 300.2695 -183570.1413 -149088.4281 299.2958 169.5310 199.4441 557090.8678 3.7415 3.6446 PRESSURE: 275800 43.5899 -27.0057 -10.264 -27.0058 -15.7473 -95.3083 -10.2646 -95.3081 -233.516 GPRESSURE: 275800 67.2733 -99.5367 35.202 -20.0092 29.3556 -103.701 -47.6828 -138.921 -192.384 PRESSAVG: 275800 38.9004 38.01 7.40574 38.01 40.2321 3.88496 7.40574 3.88494 -54.0574 GPRESSAVG: 275800 40.1596 37.6377 7.41543 38.3514 38.8988 2.49698 6.21757 3.29468 -53.9771 TIMING: 275800 CPU: 801.528, 0.00292234/step Wall: 801.528, 0.00292234/step, 3.83492 hours remaining, 204.085938 MB of memory in use. ENERGY: 275800 728.4462 2120.7127 1971.7670 114.7660 -206174.1598 17637.0999 0.0000 0.0000 34217.1006 -149384.2674 298.8265 -183601.3681 -149285.3704 299.5570 -68.5577 -31.9185 557149.2743 8.3584 8.3604 PRESSURE: 276000 -82.8006 -7.68628 150.048 -7.68576 -404.385 41.425 150.048 41.4233 -39.5267 GPRESSURE: 276000 -26.8841 -19.5034 124.8 -29.0912 -396.884 38.8065 131.521 -4.9389 -4.32022 PRESSAVG: 276000 29.6665 -14.0178 -15.3397 -14.0178 -43.5937 -30.2084 -15.3396 -30.2084 10.4732 GPRESSAVG: 276000 28.4821 -12.9837 -18.8058 -16.1562 -42.0116 -29.4146 -13.6131 -27.9667 9.93188 TIMING: 276000 CPU: 802.105, 0.00288574/step Wall: 802.105, 0.00288574/step, 3.78673 hours remaining, 204.085938 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: 276000 784.2178 2071.2189 2002.2131 109.5283 -206046.0049 17555.3397 0.0000 0.0000 34256.8020 -149266.6851 299.1732 -183523.4871 -149173.9484 299.0735 -175.5707 -142.6962 555773.1612 -1.1514 -1.1992 PRESSURE: 276200 -43.5735 157.108 -70.0815 157.109 -186.885 -198.624 -70.0819 -198.622 -291.891 GPRESSURE: 276200 -0.0139736 178.411 12.9645 166.41 -155.569 -137.879 -124.988 -202.905 -268.873 PRESSAVG: 276200 39.8978 -16.6015 -24.3022 -16.6015 -45.969 -2.90256 -24.3023 -2.9025 32.6073 GPRESSAVG: 276200 40.0703 -17.5999 -21.2767 -14.025 -46.1992 -4.38009 -23.8051 -4.99544 32.7621 TIMING: 276200 CPU: 802.685, 0.0028988/step Wall: 802.685, 0.0028988/step, 3.80371 hours remaining, 204.152344 MB of memory in use. ENERGY: 276200 762.0084 2102.8373 1971.2401 111.7756 -206142.9203 17629.9504 0.0000 0.0000 34145.4904 -149419.6181 298.2011 -183565.1085 -149317.3513 298.9907 -174.1163 -141.4854 555033.9876 8.8454 8.8777 LDB: ============= START OF LOAD BALANCING ============== 806.155 LDB: ============== END OF LOAD BALANCING =============== 806.155 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 806.157 LDB: ============= START OF LOAD BALANCING ============== 806.452 LDB: Largest compute 4820 load 0.028730 is 24.5% of average load 0.117386 LDB: Average compute 0.001734 is 1.5% of average load 0.117386 LDB: TIME 806.455 LOAD: AVG 0.117386 MAX 0.179047 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.922 MB LDB: TIME 806.455 LOAD: AVG 0.117386 MAX 0.179047 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.004 MB LDB: TIME 806.455 LOAD: AVG 0.117386 MAX 0.179047 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 806.458 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 806.462 PRESSURE: 276400 -24.6452 -26.5785 14.4852 -26.5791 8.02176 145.667 14.4834 145.668 35.3211 GPRESSURE: 276400 -30.8213 -85.6285 -30.3914 -19.8009 63.9683 147.241 11.8852 154.77 65.6514 PRESSAVG: 276400 29.6755 -6.81749 26.0037 -6.81745 3.96795 51.6826 26.0036 51.6826 -27.275 GPRESSAVG: 276400 29.5962 -6.00063 25.2409 -8.83284 3.1032 51.5461 24.61 52.7332 -26.1485 TIMING: 276400 CPU: 803.286, 0.00300683/step Wall: 803.286, 0.00300683/step, 3.9453 hours remaining, 202.562500 MB of memory in use. ENERGY: 276400 737.4862 2111.6435 1991.2443 110.1596 -206505.3621 17877.2428 0.0000 0.0000 34152.7157 -149524.8700 298.2642 -183677.5857 -149429.7343 298.2887 6.2326 32.9328 556040.8076 2.1228 2.1836 PRESSURE: 276600 29.807 -96.9735 -14.7971 -96.9741 74.0659 118.302 -14.7964 118.303 58.0016 GPRESSURE: 276600 85.9356 2.75682 -89.1611 -153.987 114.847 217.749 12.2725 66.3605 53.4541 PRESSAVG: 276600 -45.0637 -8.59644 37.5708 -8.59656 37.4779 37.3265 37.5708 37.3267 -30.2381 GPRESSAVG: 276600 -45.8193 -8.20528 38.4852 -7.52522 39.157 39.8856 37.586 35.636 -30.9156 TIMING: 276600 CPU: 803.875, 0.00294183/step Wall: 803.875, 0.00294183/step, 3.85985 hours remaining, 202.562500 MB of memory in use. ENERGY: 276600 714.2547 2147.8822 1983.6478 115.6855 -206433.6828 17799.6718 0.0000 0.0000 34160.6188 -149511.9221 298.3332 -183672.5408 -149421.3729 298.2009 53.9581 84.7455 556215.7730 -12.6080 -12.5260 PRESSURE: 276800 -93.2053 -6.95415 78.9521 -6.9551 82.0493 -87.7587 78.9523 -87.7594 274.336 GPRESSURE: 276800 -48.6022 13.6058 71.143 -27.0184 96.6874 -73.0478 105.028 -64.6604 324.814 PRESSAVG: 276800 -63.7518 1.52921 -31.9297 1.5292 12.9845 -58.3633 -31.9297 -58.3633 34.0762 GPRESSAVG: 276800 -63.4876 0.265223 -31.7577 1.01498 13.2804 -59.5455 -32.0577 -58.5294 33.9302 TIMING: 276800 CPU: 804.456, 0.00290894/step Wall: 804.456, 0.00290894/step, 3.81653 hours remaining, 202.562500 MB of memory in use. ENERGY: 276800 763.2844 2115.3704 1964.7635 110.4912 -206562.1543 17927.9278 0.0000 0.0000 34379.9925 -149300.3245 300.2490 -183680.3170 -149211.0960 298.4134 87.7267 124.2997 556881.2238 -5.5637 -5.4257 PRESSURE: 277000 -21.0397 74.9006 101.401 74.8989 282.357 93.3019 101.4 93.3025 14.9037 GPRESSURE: 277000 -0.962307 98.6766 142.769 31.1405 333.994 33.6759 79.3001 150.753 37.1456 PRESSAVG: 277000 -27.8909 -2.05537 31.397 -2.05537 -39.9561 -28.4268 31.3969 -28.4268 47.4446 GPRESSAVG: 277000 -26.8794 -1.55383 31.8462 -0.933143 -40.9712 -29.3313 31.3839 -26.8429 47.3746 TIMING: 277000 CPU: 805.039, 0.00291137/step Wall: 805.039, 0.00291137/step, 3.81956 hours remaining, 202.562500 MB of memory in use. ENERGY: 277000 742.6192 2121.2713 1966.3252 110.8527 -206343.2511 17930.7718 0.0000 0.0000 34208.4031 -149263.0078 298.7505 -183471.4109 -149160.8981 299.1703 92.0735 123.3923 556259.2297 -6.8008 -6.8253 PRESSURE: 277200 58.3877 13.1157 -56.1609 13.1153 -96.8635 36.6415 -56.1607 36.6404 -197.356 GPRESSURE: 277200 103.614 61.4142 -72.5493 -33.8997 -35.5538 26.4892 25.0829 19.9605 -211.996 PRESSAVG: 277200 23.7078 50.261 3.08391 50.261 39.9412 21.3336 3.08389 21.3336 -20.8685 GPRESSAVG: 277200 22.4716 49.7383 2.35357 49.9346 40.6807 20.2814 3.7813 23.3465 -20.2362 TIMING: 277200 CPU: 805.628, 0.00294392/step Wall: 805.628, 0.00294392/step, 3.86209 hours remaining, 202.562500 MB of memory in use. ENERGY: 277200 750.1767 2083.1496 1976.1580 119.1161 -206094.2697 17587.3056 0.0000 0.0000 34390.6338 -149187.7298 300.3420 -183578.3636 -149094.1713 299.3751 -78.6106 -47.9783 555802.2460 14.2602 14.3054 PRESSURE: 277400 208.538 -226.581 -30.7738 -226.581 338.186 -49.0093 -30.7738 -49.0093 -318.809 GPRESSURE: 277400 192.922 -190.59 52.1919 -205.665 365.503 2.83958 -1.48292 -24.5652 -218.548 PRESSAVG: 277400 -12.5572 -59.8251 10.5108 -59.8252 68.7463 -7.05903 10.5108 -7.05902 -52.8626 GPRESSAVG: 277400 -11.464 -59.9794 8.45254 -59.7951 68.6675 -4.89482 10.8374 -8.50527 -53.7014 TIMING: 277400 CPU: 806.215, 0.00293903/step Wall: 806.215, 0.00293903/step, 3.85551 hours remaining, 202.562500 MB of memory in use. ENERGY: 277400 749.1765 2117.4743 1968.4796 119.1543 -206454.1059 18017.4840 0.0000 0.0000 34383.4694 -149098.8678 300.2794 -183482.3372 -148990.2367 299.9205 75.9719 113.2922 556703.7335 1.1089 1.1674 PRESSURE: 277600 -72.0635 -84.2223 49.2434 -84.2218 -20.9784 140.392 49.2435 140.391 -215.687 GPRESSURE: 277600 -40.6307 -50.3718 21.9075 -75.2646 -35.7599 232.99 50.5794 75.5536 -137.584 PRESSAVG: 277600 53.8885 -79.2885 -14.4702 -79.2885 12.9106 10.8856 -14.4701 10.8854 -18.0762 GPRESSAVG: 277600 53.0372 -80.02 -12.0475 -81.079 13.0705 11.0104 -15.3519 10.4415 -17.4441 TIMING: 277600 CPU: 806.808, 0.00296289/step Wall: 806.808, 0.00296289/step, 3.88666 hours remaining, 202.562500 MB of memory in use. ENERGY: 277600 747.9070 2166.9443 1989.4271 115.1353 -205912.8831 17680.4029 0.0000 0.0000 34170.5755 -149042.4909 298.4201 -183213.0664 -148949.2863 299.7738 -102.9097 -71.3249 557523.6048 16.2410 16.2212 PRESSURE: 277800 200.776 26.0559 -114.123 26.0551 140.157 120.448 -114.124 120.446 130.305 GPRESSURE: 277800 286.877 45.7807 -142.684 -85.918 114.418 95.7831 -118.056 88.7975 170.409 PRESSAVG: 277800 22.3066 -5.53908 -22.8625 -5.53902 34.3835 40.0091 -22.8626 40.0091 -38.4614 GPRESSAVG: 277800 23.0033 -5.6453 -23.0014 -4.79901 34.2668 37.4845 -22.7556 41.1812 -39.0717 TIMING: 277800 CPU: 807.402, 0.0029725/step Wall: 807.402, 0.0029725/step, 3.89909 hours remaining, 202.562500 MB of memory in use. ENERGY: 277800 723.0808 2151.0812 1969.0739 120.6352 -206285.6492 18042.7549 0.0000 0.0000 34307.7915 -148971.2317 299.6185 -183279.0231 -148881.9501 300.4645 157.0792 190.5682 558110.8453 6.0762 6.0661 PRESSURE: 278000 62.0142 -10.9188 61.6351 -10.9182 53.9808 19.2233 61.6345 19.2239 75.3671 GPRESSURE: 278000 68.4482 -10.2599 -20.5137 -31.8595 79.3594 88.2054 99.7627 -5.04337 136.7 PRESSAVG: 278000 7.5522 -27.7237 -30.3078 -27.7236 -72.1841 25.8509 -30.3077 25.8509 4.64412 GPRESSAVG: 278000 6.88521 -26.0593 -31.8 -27.3762 -72.6715 27.1343 -29.6229 23.77 5.28828 TIMING: 278000 CPU: 807.986, 0.00291933/step Wall: 807.986, 0.00291933/step, 3.82919 hours remaining, 202.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 278000 763.0691 2106.1498 2004.5595 132.2400 -206300.5431 18089.3393 0.0000 0.0000 34103.2519 -149101.9335 297.8322 -183205.1854 -149010.9822 299.1329 63.7873 94.8358 557776.4582 -19.9959 -20.1660 PRESSURE: 278200 31.3115 55.5039 -134.894 55.5043 60.8292 108.109 -134.893 108.108 51.8162 GPRESSURE: 278200 45.5096 -54.3 -106.207 148.204 153.084 96.8549 -136.205 116.406 49.4818 PRESSAVG: 278200 30.2528 -1.21984 7.24712 -1.21995 -37.9364 16.6801 7.24712 16.6801 -11.7002 GPRESSAVG: 278200 31.2481 -1.64532 8.84638 -2.33613 -38.8706 17.6482 6.50943 17.7415 -11.0888 TIMING: 278200 CPU: 808.575, 0.00294376/step Wall: 808.575, 0.00294376/step, 3.86106 hours remaining, 202.562500 MB of memory in use. ENERGY: 278200 734.1663 2100.9791 2001.1751 107.5483 -206202.4902 17834.4755 0.0000 0.0000 34395.4485 -149028.6974 300.3840 -183424.1459 -148926.7353 299.9149 47.9856 82.6917 557805.0665 -6.4613 -6.2371 PRESSURE: 278400 -187.1 183.822 42.9496 183.822 210.314 155.146 42.9482 155.147 -142.436 GPRESSURE: 278400 -92.7832 188.255 21.1491 127.222 246.479 118.288 107.808 110.994 -176.623 PRESSAVG: 278400 49.1655 34.3981 -7.41681 34.398 -35.3151 15.641 -7.41685 15.6409 -36.1561 GPRESSAVG: 278400 49.4402 34.2444 -8.10735 37.2775 -35.5474 13.13 -5.93678 16.1962 -36.3263 TIMING: 278400 CPU: 809.157, 0.0029121/step Wall: 809.157, 0.0029121/step, 3.81938 hours remaining, 202.562500 MB of memory in use. ENERGY: 278400 754.7513 2160.7795 1968.5464 118.1644 -205905.5839 17656.6440 0.0000 0.0000 34282.6361 -148964.0621 299.3988 -183246.6982 -148863.6276 300.0285 -39.7406 -7.6424 557535.0613 -7.4352 -7.4778 PRESSURE: 278600 122.698 55.4823 -33.7703 55.4815 -23.0611 110.986 -33.7697 110.984 -44.9393 GPRESSURE: 278600 157.227 30.3916 -5.74146 115.127 3.83346 195.46 -36.3086 61.7545 -24.6402 PRESSAVG: 278600 -0.690473 26.1226 -37.4276 26.1226 38.125 3.10939 -37.4276 3.10927 -38.9959 GPRESSAVG: 278600 -2.34855 27.4991 -35.5167 25.1216 40.355 4.81429 -38.3416 1.19184 -39.3359 TIMING: 278600 CPU: 809.747, 0.00294922/step Wall: 809.747, 0.00294922/step, 3.8679 hours remaining, 202.562500 MB of memory in use. ENERGY: 278600 763.4243 2148.0448 1961.7207 114.1461 -206298.8732 17881.2322 0.0000 0.0000 34295.3074 -149134.9977 299.5094 -183430.3051 -149041.7539 300.1035 18.2325 45.4733 557458.3282 -0.5204 -0.4432 PRESSURE: 278800 -29.1696 39.7557 23.5689 39.7553 35.9593 -87.8202 23.5699 -87.8211 -92.1768 GPRESSURE: 278800 -8.9538 82.9636 -47.932 -77.8554 81.3337 -107.011 56.4747 -60.4443 -67.1677 PRESSAVG: 278800 42.2012 -4.54122 25.1654 -4.54118 -15.5416 -0.825106 25.1654 -0.825281 -45.563 GPRESSAVG: 278800 42.9206 -5.89786 24.2379 -5.24208 -17.0197 -1.31672 24.6783 0.392148 -44.6638 TIMING: 278800 CPU: 810.332, 0.00292293/step Wall: 810.332, 0.00292293/step, 3.83327 hours remaining, 202.562500 MB of memory in use. ENERGY: 278800 796.9164 2058.6335 1961.5444 121.9515 -206818.1776 18088.0449 0.0000 0.0000 34434.3433 -149356.7437 300.7237 -183791.0869 -149264.9269 298.4568 -28.4624 1.7374 557715.9619 -6.3011 -6.2543 PRESSURE: 279000 -314.538 37.3497 -75.0639 37.349 -229.209 61.7017 -75.064 61.7032 -106.577 GPRESSURE: 279000 -295.433 -38.6674 -90.7297 87.0879 -156.186 78.6811 -139.708 94.5288 -105.949 PRESSAVG: 279000 -15.3048 -4.23144 -14.0183 -4.23142 4.2301 -12.5864 -14.0183 -12.5864 -18.2647 GPRESSAVG: 279000 -15.8766 -4.28724 -15.0375 -3.57371 4.35766 -13.6305 -14.9758 -10.3216 -17.685 TIMING: 279000 CPU: 810.909, 0.00288567/step Wall: 810.909, 0.00288567/step, 3.78423 hours remaining, 202.562500 MB of memory in use. ENERGY: 279000 743.0719 2134.2972 1972.9160 116.5919 -206134.3997 17627.9419 0.0000 0.0000 34133.4911 -149406.0897 298.0963 -183539.5808 -149310.5715 299.1517 -216.7747 -185.8559 558851.6866 -9.7798 -9.7346 PRESSURE: 279200 92.445 -84.7266 41.2746 -84.7255 37.4053 66.5177 41.274 66.5164 100.351 GPRESSURE: 279200 133.023 -92.235 -8.64962 -30.2888 55.31 -0.735886 83.4962 128.814 132.39 PRESSAVG: 279200 -9.98223 -9.9353 20.2977 -9.93528 24.0423 15.7286 20.2976 15.7286 -37.0451 GPRESSAVG: 279200 -9.39428 -7.95691 20.0972 -9.81641 25.1692 17.0855 22.0603 13.9122 -38.1477 TIMING: 279200 CPU: 811.49, 0.00290652/step Wall: 811.49, 0.00290652/step, 3.81142 hours remaining, 202.855469 MB of memory in use. ENERGY: 279200 731.6877 2134.7739 1968.0935 110.5113 -206319.3077 18025.8513 0.0000 0.0000 34037.7875 -149310.6026 297.2605 -183348.3901 -149222.0242 298.9053 76.7338 106.9079 558765.9366 -7.6617 -7.4576 PRESSURE: 279400 101.174 66.775 128.435 66.7748 -210.239 149.217 128.436 149.216 163.352 GPRESSURE: 279400 138.628 39.0036 147.2 57.5127 -171.227 142.243 78.6229 164.751 174.817 PRESSAVG: 279400 12.5145 51.5074 68.1738 51.5074 13.9399 -14.6474 68.1737 -14.6474 11.4259 GPRESSAVG: 279400 12.9311 50.6959 68.0975 49.5978 13.4422 -15.1993 67.7638 -16.1321 11.3941 TIMING: 279400 CPU: 812.073, 0.00291122/step Wall: 812.073, 0.00291122/step, 3.81742 hours remaining, 202.855469 MB of memory in use. ENERGY: 279400 734.2400 2096.3657 1965.0154 118.6757 -206565.7798 18053.3574 0.0000 0.0000 34235.8265 -149362.2991 298.9900 -183598.1256 -149263.8322 298.6595 18.0958 47.4060 557919.2034 12.6267 12.5891 PRESSURE: 279600 117.538 109.526 -17.425 109.525 -167.955 65.9686 -17.4247 65.9696 23.8277 GPRESSURE: 279600 92.7423 53.441 -46.5601 103.203 -52.9634 -16.6382 10.0035 97.5827 31.3162 PRESSAVG: 279600 -1.80718 26.3809 25.7874 26.3809 -18.3989 31.3658 25.7873 31.3658 -16.0239 GPRESSAVG: 279600 -1.65813 25.1083 25.0089 28.0591 -18.1733 31.1195 24.6629 31.5954 -16.4063 TIMING: 279600 CPU: 812.665, 0.0029637/step Wall: 812.665, 0.0029637/step, 3.88608 hours remaining, 202.855469 MB of memory in use. ENERGY: 279600 768.1483 2082.6517 1970.4881 123.2511 -206347.4311 17799.8338 0.0000 0.0000 34398.0885 -149204.9697 300.4071 -183603.0582 -149113.0218 298.9565 -8.8629 23.6984 556816.0366 -12.0767 -12.0792 PRESSURE: 279800 -57.3974 -69.3246 -216.602 -69.3243 -69.5734 -43.2412 -216.602 -43.2423 58.7865 GPRESSURE: 279800 -46.5365 -103.528 -128.51 -25.9311 -63.6854 -54.0267 -222.539 25.4491 126.238 PRESSAVG: 279800 -3.63583 -15.9255 30.5781 -15.9255 44.1719 -21.0986 30.5781 -21.0986 -21.2757 GPRESSAVG: 279800 -4.20194 -13.2464 33.7257 -18.7373 43.5437 -20.8975 31.0113 -19.7083 -20.5958 TIMING: 279800 CPU: 813.257, 0.00295837/step Wall: 813.257, 0.00295837/step, 3.87892 hours remaining, 202.855469 MB of memory in use. ENERGY: 279800 757.8966 2038.9180 1990.5302 120.3838 -206017.1256 17671.6939 0.0000 0.0000 34104.6708 -149333.0324 297.8446 -183437.7031 -149230.1190 299.8492 -22.7281 5.3388 558487.7819 6.4201 6.2487 PRESSURE: 280000 -38.5447 85.6521 37.9522 85.6509 -142.03 89.0332 37.9509 89.0341 -100.454 GPRESSURE: 280000 -59.7582 186.943 98.633 -7.79128 -33.762 45.6004 -23.3985 -3.17488 -75.8006 PRESSAVG: 280000 -38.186 -37.1741 1.63897 -37.1741 56.4353 12.0171 1.63904 12.0171 -28.0093 GPRESSAVG: 280000 -37.6297 -39.5844 1.41537 -35.106 56.6228 12.4123 1.28433 9.79402 -28.7968 TIMING: 280000 CPU: 813.846, 0.00294465/step Wall: 813.846, 0.00294465/step, 3.86076 hours remaining, 202.855469 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: 280000 779.6758 2043.0395 1988.0387 106.7511 -206283.9788 17736.8354 0.0000 0.0000 34206.4462 -149423.1920 298.7334 -183629.6382 -149322.7521 298.8284 -93.6761 -56.4402 558909.5082 -3.2533 -3.2679 PRESSURE: 280200 -120.559 -129.837 -24.9597 -129.838 238.194 -39.4069 -24.9593 -39.4072 -11.2802 GPRESSURE: 280200 -109.88 -96.1109 37.2315 -90.6585 279.687 -111.963 -48.1378 -0.897554 40.1154 PRESSAVG: 280200 -31.6029 37.8328 15.8668 37.8328 20.3676 -11.8086 15.8667 -11.8086 24.9805 GPRESSAVG: 280200 -32.0538 38.6347 12.6317 38.0716 19.962 -12.9032 17.292 -9.43257 25.5376 TIMING: 280200 CPU: 814.431, 0.00292324/step Wall: 814.431, 0.00292324/step, 3.83254 hours remaining, 202.855469 MB of memory in use. ENERGY: 280200 758.0299 2014.6071 1970.2504 123.7460 -206773.5263 17975.6774 0.0000 0.0000 34332.1761 -149599.0393 299.8314 -183931.2154 -149497.8410 298.3701 35.4515 69.9743 556119.1721 4.5817 4.4819 LDB: ============= START OF LOAD BALANCING ============== 817.901 LDB: ============== END OF LOAD BALANCING =============== 817.901 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 817.902 LDB: ============= START OF LOAD BALANCING ============== 818.193 LDB: Largest compute 4820 load 0.027609 is 23.5% of average load 0.117440 LDB: Average compute 0.001732 is 1.5% of average load 0.117440 LDB: TIME 818.195 LOAD: AVG 0.11744 MAX 0.178095 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.082 MB LDB: TIME 818.196 LOAD: AVG 0.11744 MAX 0.178095 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.086 MB LDB: TIME 818.196 LOAD: AVG 0.11744 MAX 0.178095 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 818.197 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 818.202 PRESSURE: 280400 -243.24 62.6085 -129.044 62.6081 -112.973 -189.848 -129.044 -189.847 -325.633 GPRESSURE: 280400 -229.139 92.0539 -119.673 57.3173 -110.582 -157.438 -150.027 -190.7 -234.833 PRESSAVG: 280400 11.7701 -24.1204 19.7788 -24.1204 40.8652 -29.3937 19.7789 -29.3937 -42.8649 GPRESSAVG: 280400 13.4614 -25.6781 18.6927 -23.994 40.2235 -28.8719 20.3026 -28.6471 -43.9777 TIMING: 280400 CPU: 815.026, 0.00297857/step Wall: 815.026, 0.00297857/step, 3.90491 hours remaining, 202.250000 MB of memory in use. ENERGY: 280400 796.4140 2131.9329 1972.1255 102.2325 -206109.0877 17535.0752 0.0000 0.0000 33956.6880 -149614.6196 296.5522 -183571.3076 -149522.7225 298.7311 -227.2821 -191.5179 556641.3567 3.2568 3.2357 PRESSURE: 280600 -162.521 56.4925 -17.0505 56.4922 35.3643 -73.6536 -17.0508 -73.6538 -202.068 GPRESSURE: 280600 -51.7413 -35.3276 -58.3726 -5.95254 25.4021 -156.158 -23.1907 -34.4183 -187.795 PRESSAVG: 280600 55.2868 16.5316 18.6797 16.5316 17.594 -52.5036 18.6797 -52.5036 -59.0415 GPRESSAVG: 280600 54.2185 17.4792 21.3785 16.3592 17.377 -53.0644 16.8582 -53.0777 -57.9208 TIMING: 280600 CPU: 815.61, 0.00291775/step Wall: 815.61, 0.00291775/step, 3.82501 hours remaining, 202.453125 MB of memory in use. ENERGY: 280600 748.6030 2140.2772 1969.4347 113.4259 -206606.8114 17856.7045 0.0000 0.0000 34207.9120 -149570.4542 298.7462 -183778.3662 -149477.1291 298.1350 -109.7414 -71.3779 556992.2698 4.6131 4.5582 PRESSURE: 280800 -137.127 61.5819 -143.467 61.5802 -119.386 -74.106 -143.468 -74.1052 -76.702 GPRESSURE: 280800 -68.5837 14.149 -231.092 33.6967 -83.2279 -164.058 -77.2082 -106.508 -83.8005 PRESSAVG: 280800 44.4711 11.3007 -15.6651 11.3007 -42.5839 -0.787431 -15.6651 -0.787464 -21.2828 GPRESSAVG: 280800 44.903 12.7138 -14.2606 10.163 -42.4838 -0.746136 -15.0648 -1.17972 -21.4147 TIMING: 280800 CPU: 816.191, 0.00290714/step Wall: 816.191, 0.00290714/step, 3.81093 hours remaining, 202.453125 MB of memory in use. ENERGY: 280800 734.6758 2084.9483 1979.3210 114.0399 -206744.0130 17915.8144 0.0000 0.0000 34196.3224 -149718.8913 298.6450 -183915.2137 -149627.7910 297.8560 -111.0716 -78.5374 558292.3862 -6.4652 -6.3318 PRESSURE: 281000 43.5371 68.4838 -48.8443 68.483 -81.2802 -66.0915 -48.8438 -66.0911 100.915 GPRESSURE: 281000 48.0558 37.9068 -84.58 56.6662 -43.2105 -52.7652 -63.1843 -108.028 154.936 PRESSAVG: 281000 3.90652 -14.3867 -44.683 -14.3869 -27.5155 4.47328 -44.683 4.47327 40.4434 GPRESSAVG: 281000 4.06937 -14.4732 -45.5369 -13.448 -27.3107 4.08051 -45.4204 4.54414 39.6226 TIMING: 281000 CPU: 816.772, 0.00290245/step Wall: 816.772, 0.00290245/step, 3.80463 hours remaining, 202.453125 MB of memory in use. ENERGY: 281000 775.5701 2072.8562 1960.9379 103.6107 -206573.1817 17942.9394 0.0000 0.0000 34013.7634 -149703.5039 297.0507 -183717.2673 -149606.9379 298.2021 21.0574 53.2605 556488.3860 5.6115 5.4604 PRESSURE: 281200 12.6543 190.57 -32.2192 190.569 -239.562 -42.6479 -32.2194 -42.6485 -343.011 GPRESSURE: 281200 33.0098 205.021 11.5572 89.3661 -200.518 -19.4944 -79.734 -30.1887 -294.994 PRESSAVG: 281200 11.4856 29.1946 -36.0222 29.1946 -34.1022 -21.3213 -36.0224 -21.3212 30.7138 GPRESSAVG: 281200 10.7082 28.9087 -35.1339 30.5228 -34.2342 -20.8621 -36.2818 -22.2667 31.484 TIMING: 281200 CPU: 817.357, 0.00292549/step Wall: 817.357, 0.00292549/step, 3.83467 hours remaining, 202.453125 MB of memory in use. ENERGY: 281200 759.5099 2091.2134 1990.3340 103.9691 -206277.1307 17677.5235 0.0000 0.0000 33945.3818 -149709.1990 296.4535 -183654.5808 -149605.3404 297.7077 -189.9729 -154.1674 558181.5694 2.6991 2.6527 PRESSURE: 281400 -362.376 -50.1057 -52.463 -50.1063 -168.051 110.039 -52.4627 110.038 -3.13322 GPRESSURE: 281400 -358.087 18.238 42.4708 33.269 -83.4451 126.959 -61.514 57.0776 -7.69697 PRESSAVG: 281400 -10.5312 1.79005 49.9865 1.79007 -30.2812 9.47702 49.9865 9.47697 88.0383 GPRESSAVG: 281400 -10.6539 2.89088 46.7397 0.456527 -30.3818 10.0955 51.4669 8.45083 87.5545 TIMING: 281400 CPU: 817.944, 0.0029351/step Wall: 817.944, 0.0029351/step, 3.8471 hours remaining, 202.453125 MB of memory in use. ENERGY: 281400 749.2140 2061.8782 2003.7094 122.9368 -206418.4193 17770.6415 0.0000 0.0000 34196.3791 -149513.6602 298.6455 -183710.0394 -149425.5698 298.1121 -177.8533 -149.7429 557406.6508 15.7420 15.5063 PRESSURE: 281600 -48.0356 247.776 88.0558 247.775 -88.9058 -82.9154 88.0578 -82.9139 -187.35 GPRESSURE: 281600 20.1249 215.19 16.7261 222.993 -113.758 -105.57 111.229 -49.1504 -135.209 PRESSAVG: 281600 -43.1382 33.1188 -12.0859 33.1188 4.67208 38.0919 -12.0858 38.0921 10.4845 GPRESSAVG: 281600 -42.5426 30.9783 -9.51096 33.5516 4.76561 37.4611 -11.9793 40.6416 10.2427 TIMING: 281600 CPU: 818.53, 0.00293193/step Wall: 818.53, 0.00293193/step, 3.84279 hours remaining, 202.453125 MB of memory in use. ENERGY: 281600 757.0902 2069.7583 1990.4177 110.5999 -206294.5040 17657.6366 0.0000 0.0000 34102.4799 -149606.5216 297.8254 -183709.0015 -149514.7777 298.0578 -108.0971 -76.2809 556540.9734 -9.3272 -9.1781 PRESSURE: 281800 79.7504 14.2264 252.975 14.2271 289.958 143.633 252.975 143.633 166.627 GPRESSURE: 281800 114.417 33.9023 229.334 -21.1942 327.225 135.259 268.573 83.2362 200.659 PRESSAVG: 281800 12.1047 9.54688 34.4723 9.54687 -48.1444 15.2163 34.4723 15.2163 67.0294 GPRESSAVG: 281800 12.973 10.8993 33.0915 8.53993 -47.9697 14.6438 34.9567 14.7696 66.1989 TIMING: 281800 CPU: 819.119, 0.00294246/step Wall: 819.119, 0.00294246/step, 3.85642 hours remaining, 202.453125 MB of memory in use. ENERGY: 281800 726.8643 2020.6481 1959.9563 127.5463 -206615.3984 18009.9194 0.0000 0.0000 34320.1839 -149450.2802 299.7267 -183770.4641 -149359.8879 298.0215 178.7786 214.1003 556048.0998 10.3299 10.4007 PRESSURE: 282000 68.8745 -26.3921 -42.396 -26.3916 -211.231 -52.2995 -42.3951 -52.2987 -81.8254 GPRESSURE: 282000 118.048 -1.20281 -46.5461 -36.4924 -159.502 -62.425 -68.8615 -36.7489 -80.9393 PRESSAVG: 282000 45.6296 -32.6455 -43.2367 -32.6455 -53.6406 -2.27293 -43.2366 -2.27287 47.7821 GPRESSAVG: 282000 44.7202 -31.8163 -42.2095 -33.0965 -52.6651 0.638442 -44.0768 -4.69605 47.8393 TIMING: 282000 CPU: 819.714, 0.00297632/step Wall: 819.714, 0.00297632/step, 3.90063 hours remaining, 202.453125 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: 282000 768.8865 2038.4188 1992.4454 111.8815 -205980.6761 17628.9735 0.0000 0.0000 34196.4960 -149243.5743 298.6465 -183440.0703 -149148.9098 298.1762 -74.7272 -40.7979 557892.3872 13.2570 13.2981 PRESSURE: 282200 -194.141 5.20612 -90.5475 5.20588 67.8893 98.7129 -90.5474 98.7138 34.5 GPRESSURE: 282200 -154.48 -72.0685 -117.4 0.336362 46.7665 118.268 -61.0066 68.404 107.961 PRESSAVG: 282200 4.93271 60.9163 -38.8818 60.9163 -54.9405 -12.9807 -38.8819 -12.9809 67.2235 GPRESSAVG: 282200 5.60784 57.3699 -42.2027 61.9775 -57.9716 -13.7895 -37.8627 -11.5991 69.1108 TIMING: 282200 CPU: 820.3, 0.0029289/step Wall: 820.3, 0.0029289/step, 3.83832 hours remaining, 202.453125 MB of memory in use. ENERGY: 282200 739.3571 2036.3359 1993.6038 121.5147 -206475.1699 17838.9025 0.0000 0.0000 34241.6161 -149503.8397 299.0406 -183745.4558 -149410.5046 298.7706 -30.5839 0.0823 556323.0813 5.7386 5.5824 PRESSURE: 282400 -24.1889 60.7104 176.241 60.7108 -202.502 -15.4872 176.242 -15.4871 -40.5431 GPRESSURE: 282400 47.8984 29.3896 93.6394 -9.17587 -172.586 69.8891 94.2458 -61.2361 -40.3815 PRESSAVG: 282400 24.3266 -45.4036 33.3839 -45.4036 -36.8877 -16.8185 33.384 -16.8185 39.388 GPRESSAVG: 282400 24.5305 -42.6257 32.8491 -46.0836 -35.1617 -16.2327 35.5969 -16.8287 37.83 TIMING: 282400 CPU: 820.885, 0.00292736/step Wall: 820.885, 0.00292736/step, 3.83614 hours remaining, 202.453125 MB of memory in use. ENERGY: 282400 740.3206 2046.4884 2002.0643 119.8741 -206246.0211 17759.8009 0.0000 0.0000 34185.2191 -149392.2538 298.5480 -183577.4729 -149299.5270 297.7335 -89.0779 -55.0230 557436.4069 8.9423 9.0663 PRESSURE: 282600 3.71175 -78.5822 -89.8399 -78.5819 214.559 211.203 -89.84 211.203 61.2486 GPRESSURE: 282600 26.5695 8.13211 -25.675 -184.008 203.394 146.876 -58.3605 212.471 151.051 PRESSAVG: 282600 -31.1547 -24.9383 8.00959 -24.9382 -5.26496 -8.13382 8.00964 -8.13373 16.4157 GPRESSAVG: 282600 -31.2752 -23.5568 10.8417 -25.5456 -5.32569 -9.71391 5.10776 -5.8283 16.7611 TIMING: 282600 CPU: 821.469, 0.00291832/step Wall: 821.469, 0.00291832/step, 3.82413 hours remaining, 202.453125 MB of memory in use. ENERGY: 282600 756.9508 2055.1454 1965.5908 93.9915 -206475.6748 17995.6434 0.0000 0.0000 34154.2674 -149454.0853 298.2777 -183608.3527 -149356.3848 298.8358 93.1731 127.0048 556824.9056 -6.6680 -6.6133 PRESSURE: 282800 -102.034 -9.20267 -89.8947 -9.20362 -63.1233 1.01548 -89.8944 1.01608 -185.183 GPRESSURE: 282800 -77.3343 26.501 -81.7539 -68.021 -60.8447 17.4972 -45.2328 -31.4042 -124.704 PRESSAVG: 282800 -52.75 -55.6468 -1.12645 -55.6467 5.67523 12.2036 -1.12656 12.2036 38.727 GPRESSAVG: 282800 -53.5985 -57.561 -2.34901 -55.3689 6.0415 13.5979 -0.758916 9.97556 38.9443 TIMING: 282800 CPU: 822.049, 0.00290206/step Wall: 822.049, 0.00290206/step, 3.80267 hours remaining, 202.453125 MB of memory in use. ENERGY: 282800 774.6486 2115.5886 1974.7464 114.8852 -206195.8674 17798.5528 0.0000 0.0000 34129.5026 -149287.9431 298.0614 -183417.4457 -149191.2005 298.0941 -116.7799 -87.6277 557718.8853 -2.7826 -2.8709 PRESSURE: 283000 85.4934 79.2639 10.3781 79.2624 -56.7281 -15.4885 10.3786 -15.4876 256.618 GPRESSURE: 283000 66.3759 63.2325 -49.7663 98.5551 32.0914 -2.99391 43.8675 -34.4748 282.657 PRESSAVG: 283000 -4.59377 -64.2678 -21.0007 -64.2678 11.4503 64.4473 -21.0007 64.4474 55.1181 GPRESSAVG: 283000 -2.84799 -62.5283 -19.1826 -64.433 9.94315 64.6452 -23.0895 64.8508 55.0422 TIMING: 283000 CPU: 822.63, 0.00290404/step Wall: 822.63, 0.00290404/step, 3.8051 hours remaining, 202.453125 MB of memory in use. ENERGY: 283000 737.2205 2129.0519 1980.4946 111.6020 -206541.0565 18032.7628 0.0000 0.0000 34430.5031 -149119.4216 300.6901 -183549.9246 -149027.9652 299.4411 95.1279 127.0415 557003.4231 20.6582 20.7124 PRESSURE: 283200 55.0756 124.102 -15.9053 124.104 -10.0001 -59.2851 -15.9057 -59.2836 -90.7123 GPRESSURE: 283200 83.0723 150.51 -21.4853 156.775 55.7076 -62.1747 -39.6474 -21.08 -72.3186 PRESSAVG: 283200 -61.503 -1.53019 33.996 -1.53012 -39.044 26.0102 33.9959 26.0103 36.4975 GPRESSAVG: 283200 -61.8348 -4.34583 35.3319 0.424969 -37.849 25.9702 33.8559 25.5639 35.5821 TIMING: 283200 CPU: 823.208, 0.00289028/step Wall: 823.208, 0.00289028/step, 3.78691 hours remaining, 202.453125 MB of memory in use. ENERGY: 283200 755.7525 2087.6389 1980.4112 115.8843 -206185.4346 17797.1296 0.0000 0.0000 34435.9452 -149012.6729 300.7377 -183448.6181 -148920.3200 299.5772 -15.2122 22.1537 557773.7643 -21.3498 -21.3672 PRESSURE: 283400 20.872 -82.0943 110.429 -82.0926 -7.39631 -27.2978 110.429 -27.2968 -85.4544 GPRESSURE: 283400 4.08188 -23.5892 78.8811 -66.305 62.1357 -70.8661 73.2834 -11.1031 -42.5919 PRESSAVG: 283400 17.8295 16.1664 15.388 16.1665 38.8598 -5.63306 15.3881 -5.63308 -47.7594 GPRESSAVG: 283400 17.0313 17.6327 13.0661 16.1011 39.0149 -8.21416 17.3577 -4.61273 -46.7563 TIMING: 283400 CPU: 823.788, 0.00290038/step Wall: 823.788, 0.00290038/step, 3.79998 hours remaining, 202.453125 MB of memory in use. ENERGY: 283400 745.0425 2136.2193 1969.8057 110.6233 -206123.0332 17832.5892 0.0000 0.0000 34286.7264 -149042.0268 299.4345 -183328.7532 -148951.0045 300.1543 -23.9929 7.8752 557919.9616 2.9766 3.0966 PRESSURE: 283600 12.5553 -162.974 -99.6673 -162.973 79.6863 21.1353 -99.6679 21.1351 110.726 GPRESSURE: 283600 21.7965 -75.302 -114.85 -217.829 127.183 -7.308 -132.178 -35.0202 130.168 PRESSAVG: 283600 39.4895 -51.4417 -26.2074 -51.4417 -49.5278 -11.299 -26.2074 -11.299 43.6707 GPRESSAVG: 283600 39.6551 -50.3011 -26.6116 -53.607 -51.498 -9.69809 -25.5556 -11.7664 45.455 TIMING: 283600 CPU: 824.364, 0.0028807/step Wall: 824.364, 0.0028807/step, 3.77404 hours remaining, 202.453125 MB of memory in use. ENERGY: 283600 725.5817 2088.4933 1981.7755 118.3086 -206256.7453 17777.9793 0.0000 0.0000 34328.6668 -149235.9400 299.8008 -183564.6068 -149138.9200 299.6390 67.6558 93.0491 558334.8566 11.2108 11.2040 PRESSURE: 283800 -277.666 -43.4554 -198.237 -43.4557 -244.733 14.003 -198.238 14.0048 -36.5958 GPRESSURE: 283800 -278.771 -64.859 -177.834 -106.708 -184.699 -29.4538 -212.326 55.2453 8.7866 PRESSAVG: 283800 -39.8625 17.4853 49.0149 17.4852 44.2912 13.3898 49.0149 13.3899 2.18372 GPRESSAVG: 283800 -38.7782 16.8581 49.598 17.8513 45.1531 13.9501 47.4339 11.6031 0.41615 TIMING: 283800 CPU: 824.945, 0.002902/step Wall: 824.945, 0.002902/step, 3.80178 hours remaining, 202.453125 MB of memory in use. ENERGY: 283800 749.5783 2103.3891 1946.8878 112.1433 -206019.6769 17729.2043 0.0000 0.0000 34179.5586 -149198.9154 298.4986 -183378.4740 -149102.2786 299.0971 -186.3317 -151.5611 558454.1898 2.2042 2.2637 PRESSURE: 284000 81.5112 42.6638 84.9663 42.6622 -91.8956 142.698 84.966 142.698 -72.0107 GPRESSURE: 284000 61.4069 61.4895 68.2966 37.4908 -16.6226 119.636 31.1242 144.264 -37.4142 PRESSAVG: 284000 -31.1201 -19.3502 8.11286 -19.3502 13.0327 31.3431 8.11286 31.3431 10.5405 GPRESSAVG: 284000 -31.8125 -20.8362 7.45885 -16.918 12.2635 31.7054 9.04374 33.2529 11.805 TIMING: 284000 CPU: 825.525, 0.00290127/step Wall: 825.525, 0.00290127/step, 3.80066 hours remaining, 202.453125 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: 284000 762.4742 2084.0115 1980.7584 117.3004 -206168.4929 17740.8906 0.0000 0.0000 34279.1391 -149203.9187 299.3682 -183483.0578 -149103.4750 298.4923 -27.4651 2.4567 555382.1097 -2.5156 -2.5813 PRESSURE: 284200 153.796 -7.71599 -140.107 -7.71653 -115.174 113.88 -140.108 113.881 -530.821 GPRESSURE: 284200 134.101 -52.5695 -107.954 33.6893 -108.119 122.44 -129.656 111.28 -435.631 PRESSAVG: 284200 19.6289 -19.624 12.4435 -19.6241 12.3776 29.5595 12.4436 29.5596 -9.76958 GPRESSAVG: 284200 19.6329 -18.7863 13.1519 -20.8896 12.6723 27.6046 12.5121 29.3472 -10.011 TIMING: 284200 CPU: 826.102, 0.00288626/step Wall: 826.102, 0.00288626/step, 3.78084 hours remaining, 202.453125 MB of memory in use. ENERGY: 284200 747.7557 2121.2750 2013.7348 118.5486 -205833.3680 17445.2989 0.0000 0.0000 34310.6726 -149076.0825 299.6436 -183386.7551 -148986.8762 299.1743 -164.0664 -136.5496 556851.6409 7.4123 7.4314 LDB: ============= START OF LOAD BALANCING ============== 829.565 LDB: ============== END OF LOAD BALANCING =============== 829.566 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 829.567 LDB: ============= START OF LOAD BALANCING ============== 829.854 LDB: Largest compute 4820 load 0.028577 is 24.3% of average load 0.117440 LDB: Average compute 0.001728 is 1.5% of average load 0.117440 LDB: TIME 829.857 LOAD: AVG 0.11744 MAX 0.178612 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.859 MB LDB: TIME 829.857 LOAD: AVG 0.11744 MAX 0.178612 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.863 MB LDB: TIME 829.857 LOAD: AVG 0.11744 MAX 0.178612 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 829.859 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 829.863 PRESSURE: 284400 118.578 45.0464 -128.039 45.0463 -158.781 37.9171 -128.04 37.9167 -457.364 GPRESSURE: 284400 131.857 19.275 -100.222 39.6831 -144.162 61.6214 -108.503 58.1097 -384.149 PRESSAVG: 284400 8.99697 11.9011 -33.7748 11.9011 28.7793 94.5324 -33.7749 94.5325 -47.891 GPRESSAVG: 284400 9.187 10.3221 -33.1434 11.2861 28.4088 93.7292 -34.4783 94.0192 -47.2448 TIMING: 284400 CPU: 826.688, 0.00292961/step Wall: 826.688, 0.00292961/step, 3.83746 hours remaining, 202.996094 MB of memory in use. ENERGY: 284400 708.7090 2100.1258 1985.0230 121.8630 -205851.6149 17551.5542 0.0000 0.0000 34181.0103 -149203.3295 298.5113 -183384.3399 -149106.3054 299.2447 -165.8557 -132.1517 557577.3629 -3.3716 -3.2163 PRESSURE: 284600 -48.2089 32.4816 63.1172 32.4816 -242.526 -86.4364 63.1171 -86.4373 -50.7239 GPRESSURE: 284600 -36.7378 66.1974 56.259 59.5916 -189.755 -69.385 -14.1137 -65.6234 -13.7134 PRESSAVG: 284600 5.95394 25.3997 60.8979 25.3996 -31.6437 42.1623 60.8979 42.1624 8.1633 GPRESSAVG: 284600 5.83734 27.3269 62.0569 24.3826 -31.6627 41.7584 60.9626 44.5447 8.28303 TIMING: 284600 CPU: 827.267, 0.00289277/step Wall: 827.267, 0.00289277/step, 3.78905 hours remaining, 202.996094 MB of memory in use. ENERGY: 284600 720.3613 2060.4526 1961.7171 122.7188 -206167.6490 17689.9829 0.0000 0.0000 34382.1052 -149230.3112 300.2675 -183612.4164 -149132.8816 299.5885 -113.8197 -80.0689 556332.7169 -5.8422 -5.8474 PRESSURE: 284800 -305.985 -21.6121 33.4255 -21.6126 -275.15 -206.773 33.4263 -206.772 -434.683 GPRESSURE: 284800 -240.121 -45.5618 93.8852 69.6219 -236.094 -243.53 27.853 -129.222 -445.14 PRESSAVG: 284800 23.6614 3.79739 31.9661 3.79732 -66.3657 -19.1482 31.9661 -19.1481 4.74973 GPRESSAVG: 284800 24.6816 3.89642 29.7706 5.09212 -65.8133 -18.0403 33.4119 -21.2305 3.23006 TIMING: 284800 CPU: 827.848, 0.00290368/step Wall: 827.848, 0.00290368/step, 3.80318 hours remaining, 202.996094 MB of memory in use. ENERGY: 284800 730.1572 2065.8440 1994.6401 113.7486 -205699.5397 17319.9529 0.0000 0.0000 34325.9594 -149149.2376 299.7771 -183475.1970 -149053.0027 299.9767 -338.6059 -307.1182 557721.8369 -12.6515 -12.6339 PRESSURE: 285000 150.279 -28.1141 93.2315 -28.1143 -117.11 -58.1071 93.2318 -58.1079 -247.406 GPRESSURE: 285000 163.374 -17.2923 85.181 -53.1536 -87.1462 -96.0066 50.9421 1.8547 -200.741 PRESSAVG: 285000 56.0399 8.24816 9.02694 8.24808 -4.46115 2.285 9.02678 2.28496 -76.4325 GPRESSAVG: 285000 55.1726 7.90488 10.3206 7.26924 -5.74928 2.34625 7.36004 1.95292 -75.0056 TIMING: 285000 CPU: 828.427, 0.00289623/step Wall: 828.427, 0.00289623/step, 3.79325 hours remaining, 202.996094 MB of memory in use. ENERGY: 285000 795.8560 2050.9339 1953.6209 118.8902 -206024.7165 17688.7439 0.0000 0.0000 34295.1740 -149121.4977 299.5083 -183416.6717 -149023.0337 299.7124 -71.4122 -41.5041 556699.7418 -8.2846 -8.5274 PRESSURE: 285200 -71.9272 34.0524 90.8278 34.0524 -264.199 94.7952 90.8276 94.7949 -48.4056 GPRESSURE: 285200 -9.62321 67.0505 80.2677 54.7118 -258.781 20.0118 66.8807 87.7446 -13.7502 PRESSAVG: 285200 -27.4988 1.92117 49.9212 1.92119 -14.5679 -35.6484 49.921 -35.6483 55.6598 GPRESSAVG: 285200 -27.9737 1.85738 47.3514 3.31317 -13.6332 -36.7912 50.4189 -35.5521 55.6874 TIMING: 285200 CPU: 829.006, 0.00289827/step Wall: 829.006, 0.00289827/step, 3.79577 hours remaining, 202.996094 MB of memory in use. ENERGY: 285200 740.0403 2051.9527 1955.0965 114.4850 -205762.0920 17581.3400 0.0000 0.0000 34149.0745 -149170.1029 298.2324 -183319.1775 -149075.0481 299.0061 -128.1772 -94.0514 557466.8517 4.5310 4.6935 PRESSURE: 285400 391.034 -113.892 -164.119 -113.891 117.203 60.3498 -164.119 60.3488 145.732 GPRESSURE: 285400 407.03 -50.1586 -200.706 -196.215 179.704 99.3564 -153.333 -26.8042 155.719 PRESSAVG: 285400 32.6734 -51.4833 -11.8164 -51.4833 -46.99 -28.7357 -11.8164 -28.7359 29.0413 GPRESSAVG: 285400 33.0602 -52.3349 -11.1902 -53.0408 -47.1899 -29.354 -12.2453 -28.1384 28.3575 TIMING: 285400 CPU: 829.592, 0.00292699/step Wall: 829.592, 0.00292699/step, 3.83322 hours remaining, 202.996094 MB of memory in use. ENERGY: 285400 700.1832 2052.1586 1964.1437 122.4975 -206367.0887 18075.9615 0.0000 0.0000 34272.1638 -149179.9805 299.3073 -183452.1443 -149090.5123 298.8130 217.9895 247.4845 556348.1605 4.9082 4.7426 PRESSURE: 285600 -245.225 111.644 -57.6129 111.644 -226.28 -13.1881 -57.6141 -13.1881 -241.443 GPRESSURE: 285600 -247.97 -1.22884 29.3873 122.776 -178.972 101.237 -120.718 -79.5466 -195.139 PRESSAVG: 285600 -5.31421 -14.6275 23.5505 -14.6276 -31.5401 19.2348 23.5505 19.2348 3.43709 GPRESSAVG: 285600 -5.71396 -13.989 24.2991 -14.7397 -31.2284 20.9847 23.4269 18.1813 3.1905 TIMING: 285600 CPU: 830.173, 0.00290758/step Wall: 830.173, 0.00290758/step, 3.80764 hours remaining, 203.191406 MB of memory in use. ENERGY: 285600 731.8616 2081.6814 1980.8304 104.3641 -206092.4149 17548.0082 0.0000 0.0000 34396.9587 -149248.7105 300.3972 -183645.6691 -149146.0259 298.4502 -237.6495 -207.3605 557989.4899 -11.1391 -11.2506 PRESSURE: 285800 -267.197 33.0856 -103.611 33.0842 -249.462 189.657 -103.612 189.658 -56.5789 GPRESSURE: 285800 -222.65 79.9522 -153.271 57.2895 -211.301 181.224 -85.7332 217.08 -43.2475 PRESSAVG: 285800 -8.5142 3.82137 -38.2312 3.82134 4.64438 15.0711 -38.2311 15.071 35.944 GPRESSAVG: 285800 -7.3848 1.82056 -37.3801 5.92402 3.56121 13.6582 -39.6047 16.0955 36.0628 TIMING: 285800 CPU: 830.757, 0.00291826/step Wall: 830.757, 0.00291826/step, 3.82147 hours remaining, 203.191406 MB of memory in use. ENERGY: 285800 776.2600 2082.0576 1940.1394 121.4820 -205643.6019 17521.3099 0.0000 0.0000 33885.1287 -149317.2242 295.9273 -183202.3529 -149218.0757 298.6657 -191.0792 -159.0661 559059.1406 10.6914 10.7464 PRESSURE: 286000 -360.934 89.6007 80.0325 89.599 -94.4996 -14.7576 80.0333 -14.7584 -335.714 GPRESSURE: 286000 -358.209 102.574 30.7135 -4.66786 -70.3505 16.0614 21.915 -14.216 -263.719 PRESSAVG: 286000 -31.6493 -35.8995 45.8627 -35.8996 34.5869 78.2676 45.8626 78.2676 1.84139 GPRESSAVG: 286000 -32.7503 -34.4063 45.0599 -38.2774 36.368 80.5344 47.3726 76.6893 0.950256 TIMING: 286000 CPU: 831.337, 0.00289966/step Wall: 831.337, 0.00289966/step, 3.79695 hours remaining, 203.191406 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: 286000 729.4393 2032.9272 1980.6421 115.4029 -206107.9296 17565.0925 0.0000 0.0000 34357.2611 -149327.1644 300.0505 -183684.4256 -149231.6521 298.2697 -263.7157 -230.7593 557583.1339 1.5930 1.5227 PRESSURE: 286200 -395.947 -99.5657 32.3183 -99.5643 164.919 -103.526 32.3175 -103.527 25.2386 GPRESSURE: 286200 -369.046 -88.2126 24.6095 -65.1711 222.177 -61.3336 1.2147 -87.7843 50.7705 PRESSAVG: 286200 -62.8015 -13.2614 -3.42134 -13.2613 30.2859 28.333 -3.42126 28.333 -1.15845 GPRESSAVG: 286200 -61.995 -14.112 -3.86832 -11.9785 29.2829 26.6451 -2.39611 30.7345 -1.02362 TIMING: 286200 CPU: 831.92, 0.0029131/step Wall: 831.92, 0.0029131/step, 3.81438 hours remaining, 203.191406 MB of memory in use. ENERGY: 286200 726.5143 2074.6373 1966.9931 106.2338 -205938.3223 17726.4690 0.0000 0.0000 34179.7667 -149157.7081 298.5004 -183337.4748 -149064.8315 299.3259 -68.5963 -32.0328 558511.9779 -11.2247 -11.2453 PRESSURE: 286400 -66.5268 -100.546 -10.7666 -100.544 -81.2023 -96.7248 -10.7664 -96.7261 -61.5454 GPRESSURE: 286400 -69.8804 -40.0344 -41.454 -49.7824 -41.0237 -26.0282 69.5678 -169.249 -0.46041 PRESSAVG: 286400 -30.5351 -36.8811 -26.2644 -36.8811 41.696 -42.8086 -26.2644 -42.8088 -0.75975 GPRESSAVG: 286400 -31.3747 -36.5147 -23.5899 -38.13 41.7925 -42.3031 -27.4155 -44.099 -0.188114 TIMING: 286400 CPU: 832.499, 0.00289568/step Wall: 832.499, 0.00289568/step, 3.79142 hours remaining, 203.191406 MB of memory in use. ENERGY: 286400 794.4346 2080.3751 1987.0429 104.7250 -205816.1366 17576.2767 0.0000 0.0000 34211.1032 -149062.1790 298.7741 -183273.2822 -148965.7379 299.0350 -69.7582 -37.1215 556367.8496 3.4671 3.4099 PRESSURE: 286600 -100.088 18.4091 41.7517 18.4103 276.339 -59.1553 41.7512 -59.1568 -31.144 GPRESSURE: 286600 -27.341 -37.2321 69.418 -31.0323 271.933 -127.612 -65.1368 -12.392 5.71878 PRESSAVG: 286600 3.65503 21.3574 10.0468 21.3573 -41.2824 9.90045 10.0469 9.9004 18.7575 GPRESSAVG: 286600 4.73009 21.9023 9.3227 20.4045 -41.4336 9.01825 8.75656 10.8955 18.1223 TIMING: 286600 CPU: 833.081, 0.00291158/step Wall: 833.081, 0.00291158/step, 3.81207 hours remaining, 203.191406 MB of memory in use. ENERGY: 286600 746.8394 2055.0346 1980.7652 117.3499 -206450.4712 17943.9279 0.0000 0.0000 34451.8050 -149154.7492 300.8762 -183606.5542 -149063.1214 298.7977 48.3690 83.4370 556160.7967 -6.2900 -6.1937 PRESSURE: 286800 -252.118 32.66 -20.5021 32.66 -113.367 -34.9582 -20.5006 -34.9593 -215.421 GPRESSURE: 286800 -201.76 46.4591 32.01 67.8984 -130.515 -92.2747 12.8533 26.5786 -150.752 PRESSAVG: 286800 16.9932 -6.3269 -2.8222 -6.32683 -31.6622 0.272954 -2.82219 0.272944 10.0296 GPRESSAVG: 286800 16.2394 -7.55614 -4.26622 -5.75787 -32.3386 1.02135 -2.18679 -1.16678 11.5793 TIMING: 286800 CPU: 833.663, 0.0029108/step Wall: 833.663, 0.0029108/step, 3.81089 hours remaining, 203.191406 MB of memory in use. ENERGY: 286800 734.4295 2019.0330 1996.7186 113.6488 -205734.9799 17562.3889 0.0000 0.0000 34062.3533 -149246.4078 297.4750 -183308.7611 -149153.2553 298.6745 -193.6354 -161.0092 559340.5372 -1.5465 -1.5066 PRESSURE: 287000 96.6839 79.1762 -16.2275 79.1761 -89.4689 -135.587 -16.2263 -135.585 -15.9102 GPRESSURE: 287000 131.961 17.443 -50.5152 142.734 -59.9509 -155.843 14.7091 -120.266 22.7471 PRESSAVG: 287000 88.1134 37.831 51.5297 37.8309 29.7522 -29.8768 51.5297 -29.8768 -102.249 GPRESSAVG: 287000 88.2469 37.826 51.8147 38.9428 30.6232 -29.9432 51.7203 -28.0947 -103.077 TIMING: 287000 CPU: 834.248, 0.00292504/step Wall: 834.248, 0.00292504/step, 3.82937 hours remaining, 203.191406 MB of memory in use. ENERGY: 287000 724.9830 2060.0409 1969.3170 109.1261 -206232.6708 17816.5785 0.0000 0.0000 34370.4135 -149182.2118 300.1654 -183552.6254 -149090.9736 298.4675 -2.8984 31.5857 557869.1348 5.2055 5.2645 PRESSURE: 287200 -130.311 -34.1484 257.185 -34.1502 10.253 -29.9081 257.184 -29.9081 -205.512 GPRESSURE: 287200 -99.1752 1.39319 300.32 51.1599 32.4848 -21.5704 212.171 -126.515 -170.769 PRESSAVG: 287200 38.9897 10.3741 68.5848 10.3741 -2.71259 -21.3307 68.5849 -21.3307 -40.5625 GPRESSAVG: 287200 39.088 10.4305 67.6863 10.745 -2.97423 -21.6314 70.2785 -22.1966 -40.7894 TIMING: 287200 CPU: 834.837, 0.00294252/step Wall: 834.837, 0.00294252/step, 3.85209 hours remaining, 203.191406 MB of memory in use. ENERGY: 287200 745.4322 2058.7658 1980.3950 120.4210 -206083.2287 17767.6497 0.0000 0.0000 34164.1174 -149246.4476 298.3637 -183410.5650 -149154.6001 299.1806 -108.5232 -79.1530 558162.5149 -1.4284 -1.5585 PRESSURE: 287400 -45.3784 74.3051 219.552 74.3064 27.1725 -49.9584 219.551 -49.9578 -70.7269 GPRESSURE: 287400 42.4417 15.5102 188.023 69.0565 -19.1896 16.5488 228.399 -93.8963 -6.34154 PRESSAVG: 287400 -38.0041 13.3477 7.3977 13.3478 39.9693 -13.3335 7.39765 -13.3336 -33.4664 GPRESSAVG: 287400 -39.9573 13.9539 6.85598 12.8826 40.2704 -14.2652 7.90022 -13.6878 -31.8139 TIMING: 287400 CPU: 835.426, 0.0029467/step Wall: 835.426, 0.0029467/step, 3.85739 hours remaining, 203.191406 MB of memory in use. ENERGY: 287400 774.4299 2083.6273 1960.5912 105.8063 -206285.4804 17963.1802 0.0000 0.0000 34288.7974 -149109.0482 299.4526 -183397.8455 -149014.2104 298.9665 -29.6443 5.6368 557908.0015 -10.5004 -10.5003 PRESSURE: 287600 -18.8718 65.7048 73.4957 65.7047 -77.3844 -104.34 73.4955 -104.34 -189.522 GPRESSURE: 287600 23.9345 54.2525 59.1627 27.2651 -53.0835 -75.165 87.4876 -106.464 -147.935 PRESSAVG: 287600 43.4447 -24.5619 46.1299 -24.5618 -55.8273 -17.2417 46.13 -17.2416 11.2505 GPRESSAVG: 287600 45.295 -25.6484 47.1098 -25.0545 -56.1291 -15.9954 44.9185 -18.0792 9.42453 TIMING: 287600 CPU: 836.014, 0.00293863/step Wall: 836.014, 0.00293863/step, 3.84667 hours remaining, 203.191406 MB of memory in use. ENERGY: 287600 787.9326 2089.4144 1960.2135 117.8214 -206093.8036 17727.9941 0.0000 0.0000 34316.7028 -149093.7249 299.6963 -183410.4277 -149001.4361 299.9298 -95.2594 -59.0280 556851.8288 -0.3774 -0.4699 PRESSURE: 287800 -366.445 70.3715 114.185 70.3719 -109.471 -49.4318 114.184 -49.4324 -263.596 GPRESSURE: 287800 -321.106 56.4437 142.568 48.4874 -108.211 -58.0344 58.9642 -6.29091 -219.098 PRESSAVG: 287800 15.186 13.6107 53.6996 13.6108 5.80589 -15.8117 53.6996 -15.8117 -11.5663 GPRESSAVG: 287800 14.5632 13.5126 55.5383 15.6966 6.17468 -16.7253 53.3304 -13.5454 -11.986 TIMING: 287800 CPU: 836.6, 0.00293042/step Wall: 836.6, 0.00293042/step, 3.83576 hours remaining, 203.191406 MB of memory in use. ENERGY: 287800 749.8595 2124.8987 1990.2998 126.3539 -205692.8030 17443.4373 0.0000 0.0000 34400.0431 -148857.9108 300.4241 -183257.9539 -148768.1250 299.8336 -246.5038 -216.1383 557158.2847 3.1419 2.9173 PRESSURE: 288000 96.4545 -32.959 119.842 -32.9594 177.549 -62.7602 119.843 -62.7593 -92.0038 GPRESSURE: 288000 149.017 20.9588 49.4201 -107.895 197.318 -84.1495 102.689 -166.049 -66.0363 PRESSAVG: 288000 -27.0915 -40.2975 32.215 -40.2975 -24.1461 -78.3166 32.215 -78.3167 51.4947 GPRESSAVG: 288000 -27.8492 -40.3738 30.6112 -41.6875 -25.106 -78.3664 34.3766 -78.5971 53.1415 TIMING: 288000 CPU: 837.184, 0.00292042/step Wall: 837.184, 0.00292042/step, 3.82251 hours remaining, 203.191406 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: 288000 727.1959 2094.9479 1979.6319 106.9448 -205899.5003 17764.8203 0.0000 0.0000 34263.4834 -148962.4761 299.2315 -183225.9595 -148873.3318 300.0995 60.6666 93.4328 557193.4584 0.0857 0.0621 PRESSURE: 288200 233.616 -40.9513 83.9641 -40.9518 -31.0698 -104.451 83.9626 -104.451 209.702 GPRESSURE: 288200 239.461 -38.8638 90.2679 -18.9849 51.3921 -169.31 21.3662 -26.4308 215.364 PRESSAVG: 288200 24.5787 -30.7426 11.847 -30.7425 -16.8813 -4.65357 11.847 -4.65361 -5.1378 GPRESSAVG: 288200 25.201 -30.5879 11.0188 -31.8828 -16.0353 -5.20092 11.1811 -4.05461 -6.54001 TIMING: 288200 CPU: 837.77, 0.0029328/step Wall: 837.77, 0.0029328/step, 3.83854 hours remaining, 203.191406 MB of memory in use. ENERGY: 288200 736.2651 2107.8563 2006.6486 113.6676 -206196.8326 17912.4621 0.0000 0.0000 34326.5545 -148993.3784 299.7823 -183319.9328 -148894.2914 300.3058 137.4160 168.7390 555582.5008 0.8532 0.8752 LDB: ============= START OF LOAD BALANCING ============== 841.24 LDB: ============== END OF LOAD BALANCING =============== 841.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 841.241 LDB: ============= START OF LOAD BALANCING ============== 841.534 LDB: Largest compute 4820 load 0.028350 is 24.2% of average load 0.117374 LDB: Average compute 0.001738 is 1.5% of average load 0.117374 LDB: TIME 841.536 LOAD: AVG 0.117374 MAX 0.178136 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.578 MB LDB: TIME 841.537 LOAD: AVG 0.117374 MAX 0.178136 PROXIES: TOTAL 978 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.578 MB LDB: TIME 841.537 LOAD: AVG 0.117374 MAX 0.178136 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.578 MB LDB: ============== END OF LOAD BALANCING =============== 841.538 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 841.543 PRESSURE: 288400 162.423 103.053 34.7727 103.053 131.41 175.467 34.773 175.467 52.837 GPRESSURE: 288400 174.981 65.2562 -16.7904 -12.4866 168.981 197.583 84.25 86.53 105.915 PRESSAVG: 288400 -57.88 -3.08402 10.1123 -3.08402 29.9086 8.6825 10.1123 8.68252 9.60642 GPRESSAVG: 288400 -57.7578 -4.22929 11.7608 -2.81748 30.5043 9.16985 8.98794 6.82349 8.56443 TIMING: 288400 CPU: 838.367, 0.00298399/step Wall: 838.367, 0.00298399/step, 3.90538 hours remaining, 204.597656 MB of memory in use. ENERGY: 288400 720.3174 2088.9101 1976.9960 121.2563 -206494.4906 18037.2268 0.0000 0.0000 34438.1713 -149111.6127 300.7571 -183549.7840 -149004.9827 300.5687 115.5566 149.9589 555586.0698 -6.1216 -6.2297 PRESSURE: 288600 -62.9614 8.24613 -139.943 8.24591 -145.059 -30.0759 -139.942 -30.0752 226.196 GPRESSURE: 288600 -32.5471 32.187 -138.836 60.4039 -111.709 -127.908 -85.0596 -36.3589 249.135 PRESSAVG: 288600 23.3901 -44.813 -28.9486 -44.8131 3.09302 -47.6715 -28.9486 -47.6715 -10.9193 GPRESSAVG: 288600 22.2728 -42.9434 -30.9819 -44.3168 2.96073 -47.1865 -29.1617 -48.123 -9.54417 TIMING: 288600 CPU: 838.95, 0.00291546/step Wall: 838.95, 0.00291546/step, 3.81552 hours remaining, 204.738281 MB of memory in use. ENERGY: 288600 716.3268 2061.1236 1967.9371 116.6444 -205919.9321 17569.4225 0.0000 0.0000 34447.2512 -149041.2265 300.8364 -183488.4777 -148951.1782 300.6029 6.0585 34.9595 557019.5393 5.1880 5.2298 PRESSURE: 288800 -89.2792 -40.2719 232.843 -40.2726 -47.6034 44.318 232.843 44.3193 -83.4668 GPRESSURE: 288800 -116.661 -33.2593 225.31 -91.1384 38.3787 87.2089 186.851 7.56225 -48.1033 PRESSAVG: 288800 15.0016 -75.1246 -13.6855 -75.1246 35.9685 -20.2997 -13.6855 -20.2998 -63.578 GPRESSAVG: 288800 16.2235 -72.9624 -12.9948 -76.4689 34.6827 -21.444 -14.7261 -18.0586 -64.1253 TIMING: 288800 CPU: 839.529, 0.00289195/step Wall: 839.529, 0.00289195/step, 3.7846 hours remaining, 204.738281 MB of memory in use. ENERGY: 288800 751.7046 2124.5921 1954.3940 114.5413 -206172.8850 17801.4137 0.0000 0.0000 34402.8344 -149023.4049 300.4485 -183426.2394 -148925.8803 300.0414 -73.4498 -42.1286 557343.5517 -4.2026 -4.4064 PRESSURE: 289000 -42.0893 244.936 -153.972 244.936 7.12404 -98.8199 -153.972 -98.8188 -73.6729 GPRESSURE: 289000 -21.1192 192.076 -131.27 228.995 11.1533 -54.9039 -56.6759 -98.6975 0.688991 PRESSAVG: 289000 -1.92928 -38.4315 -17.9113 -38.4315 1.36137 -35.0166 -17.9113 -35.0166 -21.0647 GPRESSAVG: 289000 -2.50923 -42.1867 -17.8995 -33.6296 0.935997 -34.8096 -15.5975 -36.1097 -20.2576 TIMING: 289000 CPU: 840.109, 0.00290187/step Wall: 840.109, 0.00290187/step, 3.79742 hours remaining, 204.738281 MB of memory in use. ENERGY: 289000 700.5230 2067.6652 1970.2470 130.2191 -206205.1594 17786.7556 0.0000 0.0000 34449.4638 -149100.2858 300.8557 -183549.7496 -148988.2867 299.1123 -36.2127 -3.0923 557185.1018 -7.2109 -7.2770 PRESSURE: 289200 -119.099 -103.909 128.055 -103.909 -227.986 135.404 128.054 135.403 -153.716 GPRESSURE: 289200 -88.636 -74.8526 128.045 -74.9513 -217.058 151.613 104.183 201.691 -89.798 PRESSAVG: 289200 18.4503 -0.821423 -23.4726 -0.821353 18.4149 60.5378 -23.4726 60.5379 -9.35706 GPRESSAVG: 289200 17.7192 0.611719 -22.2675 -3.10672 19.7231 62.4399 -25.654 60.2268 -9.04538 TIMING: 289200 CPU: 840.688, 0.00289425/step Wall: 840.688, 0.00289425/step, 3.78729 hours remaining, 204.738281 MB of memory in use. ENERGY: 289200 776.8615 2041.6494 1978.0743 129.7379 -206221.6867 17806.5844 0.0000 0.0000 34351.2189 -149137.5605 299.9977 -183488.7793 -149037.3371 299.6738 -166.9336 -131.8307 558441.6641 9.1694 9.4656 PRESSURE: 289400 226.961 -146.378 -21.2648 -146.377 216.238 -61.5378 -21.2656 -61.5375 15.4346 GPRESSURE: 289400 292.961 -70.6202 11.4805 -207.962 220.328 -47.0098 -36.9179 -22.6316 45.2494 PRESSAVG: 289400 27.4809 5.2613 23.5527 5.26116 8.27025 -3.18684 23.5527 -3.18679 -12.9445 GPRESSAVG: 289400 27.3926 3.53961 23.3702 6.11714 8.18263 -5.63371 24.6287 -4.27066 -12.5745 TIMING: 289400 CPU: 841.276, 0.00293862/step Wall: 841.276, 0.00293862/step, 3.84519 hours remaining, 204.738281 MB of memory in use. ENERGY: 289400 712.4947 2052.6048 1994.9802 137.8615 -206419.8149 18023.8426 0.0000 0.0000 34313.7489 -149184.2822 299.6705 -183498.0311 -149086.0619 299.2342 152.8780 186.1797 557571.8176 7.6022 7.6669 PRESSURE: 289600 125.096 21.2969 -57.82 21.2965 -190.053 -40.6212 -57.8198 -40.6223 -106.577 GPRESSURE: 289600 136.118 -1.49594 -29.6061 -21.7949 -91.7841 -75.4811 -21.4561 24.0147 -107.453 PRESSAVG: 289600 51.0412 -53.935 8.14939 -53.935 -2.27702 -24.6087 8.14933 -24.6086 -41.9945 GPRESSAVG: 289600 51.4523 -51.1506 8.25703 -56.1319 -1.7848 -24.2347 8.48953 -25.1709 -43.1379 TIMING: 289600 CPU: 841.867, 0.00295595/step Wall: 841.867, 0.00295595/step, 3.86769 hours remaining, 204.738281 MB of memory in use. ENERGY: 289600 726.0384 2149.3615 1978.9223 114.9827 -206256.5328 17777.5293 0.0000 0.0000 34477.3721 -149032.3266 301.0995 -183509.6987 -148934.9895 299.4330 -57.1781 -21.0395 558043.2537 2.2566 2.1765 PRESSURE: 289800 229.121 131.86 -13.1766 131.86 20.1 -109.414 -13.1764 -109.414 -245.955 GPRESSURE: 289800 262.071 67.3247 -125.269 199.763 48.9832 -119.404 87.6519 -52.8087 -200.205 PRESSAVG: 289800 57.6712 -35.1459 31.6884 -35.1459 11.7951 -51.5709 31.6884 -51.5711 -39.4058 GPRESSAVG: 289800 57.9296 -35.5927 29.7573 -34.6184 10.7163 -52.1415 32.5361 -50.9907 -38.516 TIMING: 289800 CPU: 842.455, 0.00294276/step Wall: 842.455, 0.00294276/step, 3.85027 hours remaining, 204.738281 MB of memory in use. ENERGY: 289800 755.1881 2106.8443 1984.3160 106.8957 -205908.3503 17826.2937 0.0000 0.0000 34299.9751 -148828.8374 299.5502 -183128.8125 -148728.7581 299.5365 1.0885 36.9497 558431.8083 10.0202 10.0433 PRESSURE: 290000 218.988 67.228 60.7828 67.2279 -153.704 7.87802 60.7827 7.87721 -44.8021 GPRESSURE: 290000 225.866 98.5158 18.2523 -0.779624 -136.041 -55.7178 59.5896 21.3847 24.9639 PRESSAVG: 290000 57.4865 -48.7193 41.372 -48.7194 -4.99852 -59.1118 41.3719 -59.1118 -82.8072 GPRESSAVG: 290000 56.998 -47.8199 41.9257 -49.7939 -5.15146 -58.0154 38.5505 -59.2105 -82.1788 TIMING: 290000 CPU: 843.038, 0.0029122/step Wall: 843.038, 0.0029122/step, 3.81013 hours remaining, 204.738281 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: 290000 727.9236 2094.7508 2014.3530 102.4494 -206308.0087 17912.2351 0.0000 0.0000 34395.3845 -149060.9124 300.3834 -183456.2969 -148963.8785 299.0994 6.8271 38.2629 557951.5247 -10.1064 -10.1107 PRESSURE: 290200 -99.7918 -39.3636 -19.2161 -39.3653 -386.694 73.9301 -19.2175 73.9314 -302.351 GPRESSURE: 290200 -114.2 -150.285 -9.35289 -27.8243 -281.85 91.9021 -73.4277 114.411 -304.792 PRESSAVG: 290200 68.3984 -2.1398 0.794662 -2.13983 -11.5347 -33.1653 0.794718 -33.1653 16.1058 GPRESSAVG: 290200 69.0066 -5.46787 0.83895 -0.126515 -12.1826 -34.4212 1.69225 -30.6606 16.1697 TIMING: 290200 CPU: 843.62, 0.00290863/step Wall: 843.62, 0.00290863/step, 3.8053 hours remaining, 204.738281 MB of memory in use. ENERGY: 290200 767.5017 2138.9184 1976.3264 112.6307 -205939.1605 17567.9116 0.0000 0.0000 34369.1745 -149006.6971 300.1545 -183375.8716 -148910.2107 299.3935 -262.9454 -233.6139 557680.5195 24.3232 24.3312 PRESSURE: 290400 -99.1746 32.4574 -152.985 32.4565 -174.488 -91.3486 -152.985 -91.3463 -8.47822 GPRESSURE: 290400 -75.5637 73.5611 -31.0358 14.6033 -80.3145 -97.6404 -248.36 -34.1394 -26.7419 PRESSAVG: 290400 19.6102 -4.8479 -38.7782 -4.84783 -42.3726 -25.5148 -38.7781 -25.5147 26.73 GPRESSAVG: 290400 17.8621 -4.41244 -36.332 -4.36216 -40.936 -24.2902 -38.9219 -28.5474 26.8086 TIMING: 290400 CPU: 844.203, 0.00291599/step Wall: 844.203, 0.00291599/step, 3.81476 hours remaining, 204.738281 MB of memory in use. ENERGY: 290400 777.2616 2195.1440 1992.8095 115.7917 -206266.6619 17662.1461 0.0000 0.0000 34499.0447 -149024.4643 301.2887 -183523.5091 -148923.1645 300.5582 -94.0470 -60.8734 557462.4427 1.3225 1.2449 PRESSURE: 290600 -218.972 34.371 -59.6516 34.3713 -231.643 55.4048 -59.6521 55.4053 276.557 GPRESSURE: 290600 -156.444 70.5896 -60.8384 -57.9681 -148.612 97.3072 -77.5266 136.585 239.454 PRESSAVG: 290600 59.702 4.49547 -57.3 4.49551 -48.0537 6.27226 -57.3 6.27212 -24.6766 GPRESSAVG: 290600 61.6198 6.72282 -58.0695 3.09062 -49.1464 7.60452 -57.0072 7.95589 -25.6559 TIMING: 290600 CPU: 844.785, 0.0029123/step Wall: 844.785, 0.0029123/step, 3.80977 hours remaining, 204.738281 MB of memory in use. ENERGY: 290600 745.0584 2140.6118 1998.5247 120.6285 -205964.6459 17643.2427 0.0000 0.0000 34224.3874 -149092.1926 298.8901 -183316.5800 -148996.2788 300.4517 -58.0194 -21.8671 556981.9878 -4.3427 -4.3942 PRESSURE: 290800 -155.634 5.1582 -36.635 5.15706 -88.9782 -79.545 -36.6343 -79.5455 159.628 GPRESSURE: 290800 -102.202 -21.3853 -34.309 23.3328 -79.0422 22.978 54.9381 -75.7005 191.609 PRESSAVG: 290800 21.0127 -5.28882 -81.461 -5.28888 25.1311 -37.3709 -81.4611 -37.3708 0.186283 GPRESSAVG: 290800 20.8814 -5.58669 -80.1553 -6.07194 26.2186 -38.1405 -81.8953 -37.4989 -1.22661 TIMING: 290800 CPU: 845.369, 0.00291869/step Wall: 845.369, 0.00291869/step, 3.81797 hours remaining, 204.738281 MB of memory in use. ENERGY: 290800 764.0703 2136.2776 1952.4788 128.7151 -205779.8440 17705.6251 0.0000 0.0000 34122.3985 -148970.2785 297.9994 -183092.6771 -148875.6882 300.2229 -28.3280 3.4549 556678.7952 15.4433 15.2911 PRESSURE: 291000 33.5719 -83.5656 -21.6594 -83.5646 95.9817 -89.8034 -21.6608 -89.8053 -243.451 GPRESSURE: 291000 45.7117 5.3384 -27.1908 -142.464 89.4939 -36.3997 -43.5559 -41.4379 -165.274 PRESSAVG: 291000 7.61751 -61.7541 1.60773 -61.754 -0.0566901 -21.3281 1.60772 -21.3282 26.922 GPRESSAVG: 291000 6.71763 -59.8047 1.80069 -62.857 -1.56241 -22.0012 -0.484795 -22.6768 29.0669 TIMING: 291000 CPU: 845.956, 0.0029362/step Wall: 845.956, 0.0029362/step, 3.84071 hours remaining, 204.738281 MB of memory in use. ENERGY: 291000 743.1543 2113.3225 1986.8129 122.7908 -205611.2713 17435.8482 0.0000 0.0000 34355.1050 -148854.2375 300.0317 -183209.3426 -148758.7530 299.9908 -37.9659 -10.0227 556966.2279 11.4943 11.4074 PRESSURE: 291200 -209.419 127.242 42.6229 127.242 -222.011 -141.947 42.6238 -141.946 -216.218 GPRESSURE: 291200 -138.884 65.427 103.056 70.7155 -203.941 -133.424 62.8714 -225.534 -214.834 PRESSAVG: 291200 -30.4708 -6.07155 21.2988 -6.07163 -8.38442 -55.9555 21.2988 -55.9556 19.438 GPRESSAVG: 291200 -29.4778 -7.83373 17.799 -2.88188 -7.62827 -55.6059 23.7156 -56.1561 18.2593 TIMING: 291200 CPU: 846.538, 0.00290716/step Wall: 846.538, 0.00290716/step, 3.80256 hours remaining, 204.738281 MB of memory in use. ENERGY: 291200 772.7011 2110.4991 1993.2397 104.0241 -205827.7176 17584.6456 0.0000 0.0000 34296.7177 -148965.8904 299.5218 -183262.6081 -148869.5481 299.6000 -215.8828 -185.8865 558249.3465 -6.4724 -6.2823 PRESSURE: 291400 49.2326 156.565 -144.812 156.566 36.4123 -66.4001 -144.812 -66.4008 6.42592 GPRESSURE: 291400 183.863 178.436 -68.842 93.1303 66.8979 -85.7508 -122.122 33.1289 -68.9955 PRESSAVG: 291400 39.5618 -12.8641 -29.8966 -12.8643 9.65523 11.3048 -29.8966 11.3048 -18.4446 GPRESSAVG: 291400 38.6959 -11.555 -27.6124 -17.2738 9.15819 9.19603 -29.3601 13.3687 -17.7584 TIMING: 291400 CPU: 847.12, 0.0029101/step Wall: 847.12, 0.0029101/step, 3.80625 hours remaining, 204.738281 MB of memory in use. ENERGY: 291400 715.3014 2107.5584 1993.7090 110.0229 -205756.5453 17689.5829 0.0000 0.0000 34243.5633 -148896.8075 299.0576 -183140.3707 -148799.5138 300.1656 30.6903 60.5883 556357.2178 10.2575 10.0319 PRESSURE: 291600 59.9091 96.8341 192.472 96.8336 29.9682 -45.8827 192.472 -45.8846 125.943 GPRESSURE: 291600 85.1036 73.2827 198.302 36.4676 83.3737 -29.5744 139.344 40.3576 134.902 PRESSAVG: 291600 39.8174 0.848493 -1.72967 0.848673 -35.3682 4.9918 -1.72973 4.992 -0.560322 GPRESSAVG: 291600 40.078 -0.939981 -3.19125 3.39061 -35.6882 6.56172 -0.40055 5.54799 -1.26397 TIMING: 291600 CPU: 847.699, 0.00289405/step Wall: 847.699, 0.00289405/step, 3.78509 hours remaining, 204.738281 MB of memory in use. ENERGY: 291600 732.9398 2135.6994 1979.6428 118.8714 -206236.0487 17870.1949 0.0000 0.0000 34523.6688 -148875.0316 301.5038 -183398.7004 -148771.6395 300.1738 71.9401 101.1264 557235.0470 1.2963 1.0419 PRESSURE: 291800 114.161 46.7457 50.9421 46.7454 -77.7888 -25.7574 50.9419 -25.7571 94.3022 GPRESSURE: 291800 175.18 -5.94781 104.017 71.2972 0.321457 -98.5276 18.767 -78.9578 55.3997 PRESSAVG: 291800 37.7342 36.6197 21.2361 36.6197 -79.4636 -33.6903 21.2362 -33.6904 70.1656 GPRESSAVG: 291800 37.2588 36.7721 21.3027 35.4559 -79.7965 -33.0671 19.8542 -37.1653 70.891 TIMING: 291800 CPU: 848.276, 0.00288835/step Wall: 848.276, 0.00288835/step, 3.77748 hours remaining, 204.738281 MB of memory in use. ENERGY: 291800 728.7418 2079.6940 1989.0765 105.6032 -206040.6748 17861.0489 0.0000 0.0000 34416.3555 -148860.1549 300.5666 -183276.5104 -148763.6488 300.8990 43.5580 76.9669 557188.4040 9.4787 9.4511 PRESSURE: 292000 150.974 0.766267 -78.3462 0.765588 -42.7824 -66.4323 -78.3461 -66.4324 247.692 GPRESSURE: 292000 191.19 10.5958 -25.4171 -2.60198 -46.6691 -10.5856 -76.9839 -125.794 311.739 PRESSAVG: 292000 -39.1354 -6.99946 32.6932 -6.99942 -4.5101 -39.6478 32.6931 -39.6476 31.6106 GPRESSAVG: 292000 -39.568 -6.50645 32.6877 -7.07472 -3.60505 -38.5162 33.7448 -40.1484 30.8097 TIMING: 292000 CPU: 848.853, 0.00288255/step Wall: 848.853, 0.00288255/step, 3.76974 hours remaining, 204.738281 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: 292000 776.5436 2051.2890 2013.9087 113.9044 -206130.8523 17908.1749 0.0000 0.0000 34304.2277 -148962.8039 299.5874 -183267.0316 -148868.3282 300.3043 118.6280 152.0866 556847.3306 -4.0116 -4.1211 PRESSURE: 292200 11.9936 6.82373 -25.1494 6.82238 63.2658 -275.913 -25.1502 -275.914 -28.3935 GPRESSURE: 292200 3.20248 -46.944 38.2775 -27.0488 123.157 -307.41 -44.1066 -177.691 36.5798 PRESSAVG: 292200 -35.3598 21.6466 -10.8728 21.6467 34.6974 12.4752 -10.8728 12.4752 -32.2424 GPRESSAVG: 292200 -34.3732 22.2871 -8.44187 22.6575 33.9305 11.9536 -13.8364 14.8615 -32.8056 TIMING: 292200 CPU: 849.425, 0.00285944/step Wall: 849.425, 0.00285944/step, 3.73936 hours remaining, 204.738281 MB of memory in use. ENERGY: 292200 772.9736 2129.4709 1978.3992 113.9900 -206016.9884 17763.5764 0.0000 0.0000 34318.3169 -148940.2614 299.7104 -183258.5783 -148842.8429 299.9630 15.6220 54.3131 558415.4484 -10.9683 -11.0827 LDB: ============= START OF LOAD BALANCING ============== 852.89 LDB: ============== END OF LOAD BALANCING =============== 852.891 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 852.892 LDB: ============= START OF LOAD BALANCING ============== 853.179 LDB: Largest compute 4820 load 0.027736 is 23.6% of average load 0.117528 LDB: Average compute 0.001737 is 1.5% of average load 0.117528 LDB: TIME 853.182 LOAD: AVG 0.117528 MAX 0.177629 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.922 MB LDB: TIME 853.182 LOAD: AVG 0.117528 MAX 0.177629 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.125 MB LDB: TIME 853.182 LOAD: AVG 0.117528 MAX 0.177629 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 853.184 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 853.188 PRESSURE: 292400 -12.7317 177.193 -320.689 177.194 -38.1246 36.8991 -320.689 36.898 328.496 GPRESSURE: 292400 55.4907 156.318 -310.299 95.5511 -23.573 15.7257 -265.121 75.5188 353.596 PRESSAVG: 292400 27.6692 -8.795 -61.3822 -8.79505 -1.02555 20.2826 -61.3822 20.2826 -4.38637 GPRESSAVG: 292400 28.2129 -9.80765 -62.6543 -7.78617 -2.61943 18.0949 -59.7809 20.4223 -3.47161 TIMING: 292400 CPU: 850.013, 0.0029409/step Wall: 850.013, 0.0029409/step, 3.84571 hours remaining, 204.140625 MB of memory in use. ENERGY: 292400 724.0778 2109.4261 1996.1259 102.7520 -206573.6405 18102.1942 0.0000 0.0000 34414.1282 -149124.9362 300.5471 -183539.0644 -149028.4508 299.9767 92.5465 128.5047 558036.0674 7.4191 7.3740 PRESSURE: 292600 -378.798 88.5821 91.8416 88.5821 193.097 -17.6948 91.841 -17.6947 -6.9848 GPRESSURE: 292600 -348.204 129.785 114.089 89.5265 254.378 49.4338 59.757 23.2908 -9.30086 PRESSAVG: 292600 -47.8479 42.9838 -47.8897 42.9837 -15.106 25.1827 -47.8896 25.1827 63.6903 GPRESSAVG: 292600 -48.6174 41.8515 -50.0807 42.9068 -13.6326 26.4296 -47.7517 24.0686 62.858 TIMING: 292600 CPU: 850.592, 0.00289516/step Wall: 850.592, 0.00289516/step, 3.78575 hours remaining, 204.343750 MB of memory in use. ENERGY: 292600 762.2787 2180.6180 1973.1701 102.8699 -206175.0277 17721.4838 0.0000 0.0000 34298.1288 -149136.4782 299.5341 -183434.6070 -149036.6818 299.3951 -64.2286 -34.3755 558344.6229 0.2455 0.2027 PRESSURE: 292800 -133.749 43.9884 -82.1411 43.9885 -75.9336 103.343 -82.14 103.343 -192.428 GPRESSURE: 292800 -114.844 1.52523 -7.72888 -8.85594 -43.6368 100.304 -119.118 151.908 -141.202 PRESSAVG: 292800 -33.3292 -50.9732 19.7439 -50.9732 26.4652 22.4089 19.7438 22.4089 4.70108 GPRESSAVG: 292800 -34.0768 -50.5439 20.6728 -50.4937 27.513 21.5048 20.0049 20.8377 4.68584 TIMING: 292800 CPU: 851.171, 0.00289487/step Wall: 851.171, 0.00289487/step, 3.78521 hours remaining, 204.343750 MB of memory in use. ENERGY: 292800 766.2353 2058.8749 1971.3446 126.5225 -206135.6427 17851.7050 0.0000 0.0000 34252.6797 -149108.2807 299.1372 -183360.9604 -149010.5950 299.4318 -134.0369 -99.8940 559368.9130 -0.7210 -0.6260 PRESSURE: 293000 -285.918 201.596 -5.88654 201.596 38.9617 -170.298 -5.88647 -170.298 -170.857 GPRESSURE: 293000 -259.737 150.649 3.3089 198.299 55.2424 -231.061 8.82369 -130.476 -112.33 PRESSAVG: 293000 -59.2602 -4.10968 -13.8512 -4.10965 77.799 29.5212 -13.8513 29.5211 -49.5912 GPRESSAVG: 293000 -58.8084 -2.11374 -13.3577 -4.62703 76.7905 30.3369 -14.1767 31.2989 -49.1652 TIMING: 293000 CPU: 851.748, 0.0028883/step Wall: 851.748, 0.0028883/step, 3.77645 hours remaining, 204.343750 MB of memory in use. ENERGY: 293000 706.2531 2130.1555 1966.9428 97.6127 -205766.7606 17590.7979 0.0000 0.0000 34201.4824 -149073.5162 298.6901 -183274.9986 -148980.7695 299.0706 -139.2713 -105.6082 559112.1849 -10.3508 -10.3944 PRESSURE: 293200 -93.6066 -26.8272 -52.8129 -26.8273 -237.464 207.643 -52.8125 207.644 165.575 GPRESSURE: 293200 -95.1392 -29.3758 -108.903 30.4536 -136.801 234.641 -63.9563 140.099 166.584 PRESSAVG: 293200 46.267 -17.7659 2.20777 -17.7659 -16.6594 19.9021 2.20776 19.9022 0.642198 GPRESSAVG: 293200 46.2792 -20.2273 1.98637 -16.5106 -15.6656 21.4584 1.92602 17.3845 -0.507267 TIMING: 293200 CPU: 852.329, 0.00290196/step Wall: 852.329, 0.00290196/step, 3.79415 hours remaining, 204.343750 MB of memory in use. ENERGY: 293200 750.4825 2063.0368 1972.9951 134.9734 -205751.3714 17562.3849 0.0000 0.0000 34419.8068 -148847.6920 300.5967 -183267.4987 -148750.1529 300.1741 -55.1651 -21.7853 558022.4081 10.0833 10.0355 PRESSURE: 293400 -74.7764 30.2909 165.852 30.2916 -54.8784 -44.4907 165.852 -44.4898 83.6279 GPRESSURE: 293400 -32.8246 2.41218 100.186 -76.861 -22.6577 34.4745 139.351 -47.7145 108.407 PRESSAVG: 293400 31.2602 8.59867 48.4494 8.59861 -32.2539 5.87972 48.4495 5.87965 43.9073 GPRESSAVG: 293400 31.9265 9.86054 48.7851 7.12993 -33.4752 4.35784 48.7785 7.71994 43.4798 TIMING: 293400 CPU: 852.909, 0.00290062/step Wall: 852.909, 0.00290062/step, 3.79224 hours remaining, 204.343750 MB of memory in use. ENERGY: 293400 735.8994 2126.4445 1951.9349 114.6344 -205976.5534 17838.2001 0.0000 0.0000 34354.4146 -148855.0254 300.0256 -183209.4400 -148755.8677 300.0605 -15.3423 17.6416 556854.9663 14.3045 13.9771 PRESSURE: 293600 139.86 163.626 92.3414 163.626 47.456 124.301 92.3417 124.303 40.5794 GPRESSURE: 293600 135.3 101.493 70.372 147.03 107.544 20.5659 60.8332 98.1099 72.4596 PRESSAVG: 293600 14.9148 -21.6316 46.1509 -21.6315 -23.1597 -26.7993 46.1509 -26.7993 -17.0828 GPRESSAVG: 293600 13.5679 -23.4586 45.8789 -21.6166 -23.0946 -28.0661 45.1102 -28.4409 -16.1848 TIMING: 293600 CPU: 853.482, 0.00286407/step Wall: 853.482, 0.00286407/step, 3.7443 hours remaining, 204.343750 MB of memory in use. ENERGY: 293600 739.8687 2085.9833 1984.3427 111.4414 -205909.8271 17805.7098 0.0000 0.0000 34259.4910 -148922.9902 299.1967 -183182.4812 -148824.2262 299.5347 75.9650 105.1011 555701.5324 -8.4425 -8.5705 PRESSURE: 293800 -315.759 97.7664 -73.4877 97.7662 -208.645 133.235 -73.4871 133.235 -112.257 GPRESSURE: 293800 -287.606 41.1957 -115.293 46.3961 -206.033 61.9809 -112.734 151.93 -42.8638 PRESSAVG: 293800 78.5308 -0.934028 -0.807744 -0.934071 -30.3657 9.89877 -0.807764 9.89895 -13.4162 GPRESSAVG: 293800 78.6761 1.02041 -1.22563 -1.15969 -30.6973 9.7533 0.819453 12.5509 -13.1658 TIMING: 293800 CPU: 854.054, 0.00286242/step Wall: 854.054, 0.00286242/step, 3.74198 hours remaining, 204.343750 MB of memory in use. ENERGY: 293800 748.5230 2118.3282 1979.2517 97.7286 -205696.2134 17574.9862 0.0000 0.0000 34407.6912 -148769.7046 300.4909 -183177.3957 -148674.3507 300.0255 -212.2203 -178.8341 558698.6391 11.5830 11.6043 PRESSURE: 294000 -47.5055 71.3834 98.1244 71.3825 -16.0388 70.1546 98.1246 70.1548 -140.056 GPRESSURE: 294000 -64.1341 74.8916 51.3504 22.964 -9.71302 126.18 145.941 82.5417 -30.8029 PRESSAVG: 294000 53.9083 -28.9243 -1.59654 -28.9244 -60.9164 33.6883 -1.59659 33.6882 -5.29265 GPRESSAVG: 294000 53.1995 -29.3711 -0.568847 -28.484 -60.4339 35.2042 -2.05044 31.9479 -5.06943 TIMING: 294000 CPU: 854.63, 0.00287886/step Wall: 854.63, 0.00287886/step, 3.76331 hours remaining, 204.343750 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: 294000 746.5309 2123.3709 1989.0790 124.5880 -205556.7389 17601.4980 0.0000 0.0000 34275.5203 -148696.1517 299.3366 -182971.6720 -148599.8133 299.3018 -67.8667 -34.8833 557826.3191 -4.1002 -4.1013 PRESSURE: 294200 50.8426 109.54 17.0496 109.538 132.765 59.165 17.0511 59.1638 -75.0761 GPRESSURE: 294200 97.0127 164.844 -24.0442 164.448 187.487 14.9101 25.0529 76.8682 -68.9884 PRESSAVG: 294200 -13.6258 27.473 40.0738 27.4729 -10.8068 13.5201 40.0739 13.5201 34.3498 GPRESSAVG: 294200 -13.7895 27.4576 37.5561 27.9764 -11.2038 13.7098 40.4331 13.2343 35.0596 TIMING: 294200 CPU: 855.211, 0.00290649/step Wall: 855.211, 0.00290649/step, 3.79926 hours remaining, 204.343750 MB of memory in use. ENERGY: 294200 766.8717 2074.4837 1995.7531 106.5807 -206355.9659 18032.5977 0.0000 0.0000 34308.2579 -149071.4212 299.6225 -183379.6791 -148970.3022 300.5986 36.1770 71.8372 557408.2843 3.3057 3.3554 PRESSURE: 294400 210.065 -57.0774 -60.8955 -57.0775 43.8819 79.5794 -60.8955 79.5809 45.7423 GPRESSURE: 294400 256.921 -93.0274 -124.224 -23.2724 43.6042 81.0255 -98.6171 90.5812 92.5256 PRESSAVG: 294400 -48.833 27.6504 -27.2419 27.6504 8.54112 58.9466 -27.242 58.9467 5.5881 GPRESSAVG: 294400 -47.9222 27.3161 -25.3143 25.384 8.16756 59.0766 -27.8184 59.6661 5.26269 TIMING: 294400 CPU: 855.793, 0.00290967/step Wall: 855.793, 0.00290967/step, 3.80326 hours remaining, 204.644531 MB of memory in use. ENERGY: 294400 732.7427 2074.3864 1995.3799 128.0106 -206355.7580 17954.6509 0.0000 0.0000 34451.0314 -149019.5562 300.8694 -183470.5876 -148928.6491 299.7501 99.8965 131.0168 558294.4670 -11.5679 -11.4973 PRESSURE: 294600 -257.059 34.4212 125.473 34.4222 -53.1928 -130.568 125.474 -130.568 -574.79 GPRESSURE: 294600 -215.848 70.2545 174.245 39.1558 1.3488 -121.497 67.4224 -72.2024 -580.654 PRESSAVG: 294600 34.899 39.2563 1.64269 39.2564 99.4308 12.3079 1.64281 12.3079 -77.3231 GPRESSAVG: 294600 34.3253 39.107 1.91785 42.3142 101.103 10.1947 -0.704573 15.2072 -78.3898 TIMING: 294600 CPU: 856.377, 0.00291702/step Wall: 856.377, 0.00291702/step, 3.8127 hours remaining, 204.644531 MB of memory in use. ENERGY: 294600 792.2811 2081.5057 1995.3910 112.3995 -206029.5938 17530.9586 0.0000 0.0000 34345.0969 -149171.9611 299.9443 -183517.0580 -149068.8489 300.0176 -295.0141 -265.0510 557842.5276 19.0022 19.0130 PRESSURE: 294800 -150.852 -37.1298 -30.5513 -37.1288 61.3967 13.3451 -30.5515 13.3454 -107.398 GPRESSURE: 294800 -84.4269 -58.8783 6.19262 -43.7422 45.5491 64.1169 -85.1209 -3.95231 -81.6961 PRESSAVG: 294800 -9.09425 -9.43148 21.0432 -9.43151 51.0906 45.09 21.0432 45.0901 -59.1497 GPRESSAVG: 294800 -9.06578 -10.2978 18.3221 -9.70672 50.8021 46.5165 24.4389 41.0582 -58.7912 TIMING: 294800 CPU: 856.965, 0.00294325/step Wall: 856.965, 0.00294325/step, 3.84682 hours remaining, 204.644531 MB of memory in use. ENERGY: 294800 749.7494 2141.8578 1975.8793 104.7586 -206049.8730 17686.4477 0.0000 0.0000 34305.1711 -149086.0092 299.5956 -183391.1803 -148991.6639 299.8866 -65.6177 -40.1913 557398.3746 -5.7178 -5.6850 PRESSURE: 295000 -267.986 191.423 -58.3583 191.422 -149.691 -39.3703 -58.3571 -39.369 -291.24 GPRESSURE: 295000 -212.05 191.739 -79.3842 91.4906 -133.464 -81.8955 -74.6855 -6.78234 -271.535 PRESSAVG: 295000 -18.2724 74.8797 -19.8571 74.8796 4.87679 -5.92196 -19.8571 -5.92198 -40.0895 GPRESSAVG: 295000 -18.0832 75.3321 -17.7356 72.9222 5.3097 -4.42665 -22.0618 -5.48725 -40.6254 TIMING: 295000 CPU: 857.548, 0.00291452/step Wall: 857.548, 0.00291452/step, 3.80911 hours remaining, 204.644531 MB of memory in use. ENERGY: 295000 757.6666 2044.9892 1984.3988 118.3623 -205812.6650 17577.6796 0.0000 0.0000 34201.7496 -149127.8190 298.6924 -183329.5686 -149031.0388 298.4488 -236.3057 -205.6828 557910.4237 -17.8284 -17.7996 PRESSURE: 295200 178.511 31.3988 -114.319 31.3988 399.493 113.756 -114.318 113.754 -9.76017 GPRESSURE: 295200 223.026 -26.7886 -139.586 39.5119 400.573 167.346 -84.6191 98.3063 55.4527 PRESSAVG: 295200 54.361 9.79682 -3.13495 9.79682 -16.4768 74.5757 -3.13492 74.5756 13.0471 GPRESSAVG: 295200 54.6412 9.20076 -3.37449 10.0545 -17.1167 73.2412 -2.43559 75.0998 13.8471 TIMING: 295200 CPU: 858.13, 0.00291069/step Wall: 858.13, 0.00291069/step, 3.80395 hours remaining, 204.644531 MB of memory in use. ENERGY: 295200 772.1907 2056.5423 1984.8355 109.4321 -206347.2491 18186.1342 0.0000 0.0000 34305.1545 -148932.9597 299.5954 -183238.1142 -148835.1442 300.3228 189.4145 226.3507 557428.8846 16.9771 17.1239 PRESSURE: 295400 -176.845 -58.4598 -24.7765 -58.4613 183.968 -68.1589 -24.7766 -68.1597 -84.0519 GPRESSURE: 295400 -78.6179 -57.4791 -73.5106 75.3797 161.085 -30.2899 33.9057 -38.9553 -68.0425 PRESSAVG: 295400 -20.0422 37.2933 -94.9491 37.2934 44.2151 -15.3725 -94.949 -15.3726 -56.109 GPRESSAVG: 295400 -20.8039 36.9161 -94.5059 39.3911 45.4208 -14.0576 -94.8101 -14.1037 -56.6286 TIMING: 295400 CPU: 858.707, 0.00288309/step Wall: 858.707, 0.00288309/step, 3.76771 hours remaining, 204.644531 MB of memory in use. ENERGY: 295400 751.3230 2080.7383 1972.6722 109.8878 -206119.6793 17779.3449 0.0000 0.0000 34486.7267 -148938.9864 301.1812 -183425.7131 -148835.5303 300.4144 -25.6430 4.8082 556384.0814 -10.6453 -10.6706 PRESSURE: 295600 -305.435 -30.3694 30.1874 -30.3675 -157.865 -158.763 30.1874 -158.763 -56.9626 GPRESSURE: 295600 -251.364 43.8059 66.2593 -76.9635 -116.765 -148.747 8.76649 -120.637 -46.5666 PRESSAVG: 295600 -11.8132 23.2039 27.4864 23.2039 40.2241 -28.627 27.4864 -28.6269 -7.01961 GPRESSAVG: 295600 -12.2621 24.1335 26.6683 23.2573 37.9724 -28.5239 28.7591 -30.2836 -4.41484 TIMING: 295600 CPU: 859.289, 0.00290972/step Wall: 859.289, 0.00290972/step, 3.80236 hours remaining, 204.644531 MB of memory in use. ENERGY: 295600 749.1603 2093.6375 1980.1531 115.4476 -205511.0834 17497.3928 0.0000 0.0000 34214.8750 -148860.4170 298.8070 -183075.2920 -148764.0637 300.6630 -173.4206 -138.2316 559632.4096 7.1304 7.0985 PRESSURE: 295800 -407.795 -44.5485 96.186 -44.5489 -294.209 197.334 96.1861 197.332 -449.617 GPRESSURE: 295800 -396.214 -13.4264 36.3954 -58.0352 -228.468 286.241 111.743 102.519 -430.81 PRESSAVG: 295800 7.82138 8.70244 27.8862 8.70238 18.3053 30.08 27.8861 30.0801 -30.1455 GPRESSAVG: 295800 8.51601 8.99564 28.0769 7.17875 20.2968 26.883 26.7724 31.9523 -31.8473 TIMING: 295800 CPU: 859.869, 0.00290045/step Wall: 859.869, 0.00290045/step, 3.79008 hours remaining, 204.644531 MB of memory in use. ENERGY: 295800 759.3606 2137.7507 1991.0682 124.9239 -205203.3925 17082.2560 0.0000 0.0000 34198.0080 -148910.0252 298.6597 -183108.0332 -148812.5611 300.1787 -383.8737 -351.8308 559401.7859 -1.3396 -1.0115 PRESSURE: 296000 -52.0737 -39.7652 -73.8209 -39.7638 3.1038 143.45 -73.8209 143.451 -91.6206 GPRESSURE: 296000 -34.3333 -78.4474 -120.622 -25.1067 -4.96853 104.214 -33.5701 143.612 -1.78091 PRESSAVG: 296000 -16.2763 17.8806 41.1468 17.8806 6.5697 29.2037 41.1469 29.2036 8.14701 GPRESSAVG: 296000 -15.3824 18.6157 41.6817 18.0521 5.02165 30.9228 42.0874 29.2366 8.91211 TIMING: 296000 CPU: 860.446, 0.00288445/step Wall: 860.446, 0.00288445/step, 3.76902 hours remaining, 204.644531 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: 296000 734.5154 2165.1680 1952.4420 113.1868 -205767.0715 17618.9862 0.0000 0.0000 34355.4217 -148827.3514 300.0344 -183182.7732 -148732.1424 299.5578 -46.8635 -13.6943 557445.1465 -0.5199 -0.4829 PRESSURE: 296200 -128.786 124.456 -39.0929 124.455 8.14749 -183.498 -39.0939 -183.497 -58.5189 GPRESSURE: 296200 -102.152 117.069 30.2075 110.901 50.2903 -94.5226 22.2069 -206.357 -37.5068 PRESSAVG: 296200 -83.0205 14.9161 -4.63042 14.9161 -16.7019 -11.471 -4.63037 -11.4711 64.4622 GPRESSAVG: 296200 -82.6183 15.2777 -3.68156 15.9837 -15.5693 -11.0636 -6.83468 -11.5493 62.5269 TIMING: 296200 CPU: 861.022, 0.00288283/step Wall: 861.022, 0.00288283/step, 3.76674 hours remaining, 204.644531 MB of memory in use. ENERGY: 296200 746.1709 2097.6432 1983.3486 104.6811 -205932.4363 17844.5281 0.0000 0.0000 34269.2956 -148886.7687 299.2823 -183156.0643 -148794.2591 300.4607 -59.7190 -29.7894 557745.4285 -11.7534 -11.8869 LDB: ============= START OF LOAD BALANCING ============== 864.485 LDB: ============== END OF LOAD BALANCING =============== 864.485 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.487 LDB: ============= START OF LOAD BALANCING ============== 864.777 LDB: Largest compute 4820 load 0.029398 is 25.0% of average load 0.117514 LDB: Average compute 0.001734 is 1.5% of average load 0.117514 LDB: TIME 864.779 LOAD: AVG 0.117514 MAX 0.179795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.227 MB LDB: TIME 864.78 LOAD: AVG 0.117514 MAX 0.179795 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.289 MB LDB: TIME 864.78 LOAD: AVG 0.117514 MAX 0.179795 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 864.781 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 864.785 PRESSURE: 296400 -109.419 14.6579 34.8864 14.6581 -53.1607 -49.3364 34.8851 -49.3371 13.9438 GPRESSURE: 296400 -82.75 -90.3712 24.0651 32.4693 -20.3022 -43.3266 93.3875 -27.5218 47.1895 PRESSAVG: 296400 8.93304 20.6015 0.670693 20.6015 -9.67066 -29.612 0.670675 -29.6119 -0.574909 GPRESSAVG: 296400 8.72939 18.5596 1.68547 20.0803 -9.24824 -28.8307 1.19328 -30.2412 -0.819791 TIMING: 296400 CPU: 861.61, 0.00293836/step Wall: 861.61, 0.00293836/step, 3.83913 hours remaining, 203.312500 MB of memory in use. ENERGY: 296400 746.9082 2077.8959 1978.7333 112.7425 -205777.0120 17507.9785 0.0000 0.0000 34550.6072 -148802.1463 301.7390 -183352.7536 -148704.4796 299.8806 -49.5453 -18.6209 556245.3498 -0.4375 -0.4462 PRESSURE: 296600 -41.4212 47.2006 -115.442 47.2003 230.714 89.3123 -115.441 89.3131 13.7512 GPRESSURE: 296600 47.4101 -45.5554 -48.4725 96.1489 272.576 89.3529 -125.808 125.048 -17.4215 PRESSAVG: 296600 -36.268 -10.3757 20.6479 -10.3756 24.7463 2.4923 20.648 2.49232 -15.844 GPRESSAVG: 296600 -37.5281 -9.1038 19.7233 -10.8585 24.5373 2.39535 19.857 4.31724 -14.2253 TIMING: 296600 CPU: 862.189, 0.00289404/step Wall: 862.189, 0.00289404/step, 3.78107 hours remaining, 203.453125 MB of memory in use. ENERGY: 296600 763.7698 2148.1877 1960.5265 98.9434 -205853.1331 17679.4897 0.0000 0.0000 34291.3263 -148910.8897 299.4747 -183202.2161 -148819.7386 300.1532 67.6812 100.8550 555886.5920 -9.1219 -9.0720 PRESSURE: 296800 22.8911 -113.115 103.261 -113.114 -55.9029 25.2635 103.261 25.2635 -96.3225 GPRESSURE: 296800 69.2649 -137.164 103.663 -70.1137 -72.6751 -9.35732 83.7415 143.485 -26.4196 PRESSAVG: 296800 -38.4369 -42.8585 14.7106 -42.8585 36.267 27.3279 14.7106 27.3279 32.4903 GPRESSAVG: 296800 -38.2853 -40.432 11.8776 -44.2836 37.0847 27.0589 16.7318 23.9108 30.7622 TIMING: 296800 CPU: 862.769, 0.00290256/step Wall: 862.769, 0.00290256/step, 3.79203 hours remaining, 203.453125 MB of memory in use. ENERGY: 296800 756.1860 2069.9591 2005.6880 120.3485 -205902.9420 17724.2342 0.0000 0.0000 34369.6387 -148856.8874 300.1586 -183226.5261 -148760.0146 299.6903 -43.1114 -9.9432 558281.9601 10.1068 9.8539 PRESSURE: 297000 249.147 -111.396 -68.7023 -111.396 -90.9074 202.325 -68.7028 202.324 96.8143 GPRESSURE: 297000 248.016 -147.02 -145.661 -49.2617 -32.8806 163.989 -37.2016 251.242 135.58 PRESSAVG: 297000 77.7231 -72.3695 -2.36992 -72.3694 -13.1108 27.9527 -2.36989 27.9528 -3.56423 GPRESSAVG: 297000 78.0813 -72.756 -0.283186 -70.6281 -14.3022 28.1859 -2.53885 30.6342 -2.51147 TIMING: 297000 CPU: 863.347, 0.00288686/step Wall: 863.347, 0.00288686/step, 3.77136 hours remaining, 203.453125 MB of memory in use. ENERGY: 297000 747.8386 2157.7152 1993.9728 113.6415 -206313.0474 18151.4602 0.0000 0.0000 34348.0718 -148800.3473 299.9703 -183148.4191 -148699.4564 300.0859 85.0181 116.9052 559230.2871 20.3494 20.4225 PRESSURE: 297200 -9.85738 -72.6988 132.441 -72.6983 -248.904 -24.1393 132.44 -24.1386 -48.329 GPRESSURE: 297200 -13.9926 -16.5628 153.152 -73.675 -207.33 -68.4338 150.87 -1.09131 13.3872 PRESSAVG: 297200 22.2386 -41.9437 -10.7817 -41.9438 -23.3524 30.056 -10.7816 30.0559 -3.26799 GPRESSAVG: 297200 21.4921 -42.204 -10.904 -42.4685 -22.9201 29.3674 -10.1528 31.7413 -3.64893 TIMING: 297200 CPU: 863.922, 0.00287779/step Wall: 863.922, 0.00287779/step, 3.75935 hours remaining, 203.453125 MB of memory in use. ENERGY: 297200 788.8814 2114.4509 2006.3000 111.3283 -206227.9536 17987.2941 0.0000 0.0000 34347.1618 -148872.5371 299.9623 -183219.6989 -148776.1088 300.8053 -102.3634 -69.3118 557205.9438 -1.4606 -1.6923 PRESSURE: 297400 -129.175 4.71841 31.2879 4.71864 207.681 -58.3756 31.2875 -58.3756 101.377 GPRESSURE: 297400 -78.3809 -15.9919 41.6892 35.8864 247.812 -91.6437 15.9821 -4.80427 99.9932 PRESSAVG: 297400 23.0102 -29.8471 -7.65182 -29.847 38.2211 -14.603 -7.65178 -14.6031 -48.9275 GPRESSAVG: 297400 21.7162 -31.6985 -5.85492 -30.8914 38.3979 -14.6795 -8.73187 -17.6987 -47.5818 TIMING: 297400 CPU: 864.502, 0.00290018/step Wall: 864.502, 0.00290018/step, 3.78844 hours remaining, 203.453125 MB of memory in use. ENERGY: 297400 732.2900 2140.2288 1973.5182 137.0533 -206303.0021 18016.0463 0.0000 0.0000 34315.9563 -148987.9093 299.6898 -183303.8656 -148888.4108 299.8231 59.9610 89.8082 557924.1235 4.1013 4.1774 PRESSURE: 297600 -136.172 -46.7885 -39.8992 -46.7872 -167.44 85.7611 -39.8998 85.7626 -141.927 GPRESSURE: 297600 -97.1374 -123.062 -103.09 47.6446 -118.923 126.967 -29.6111 24.0995 -138.501 PRESSAVG: 297600 -30.143 50.7293 -26.0983 50.7294 41.0239 8.3898 -26.0984 8.38985 -27.265 GPRESSAVG: 297600 -27.4825 50.9195 -27.7331 51.9404 40.3404 8.9932 -26.1796 8.70964 -29.0263 TIMING: 297600 CPU: 865.084, 0.00290989/step Wall: 865.084, 0.00290989/step, 3.80097 hours remaining, 203.453125 MB of memory in use. ENERGY: 297600 756.6481 2067.1106 1969.9068 121.9123 -206114.6415 17715.5512 0.0000 0.0000 34473.8477 -149009.6649 301.0687 -183483.5126 -148906.8543 299.5429 -148.5131 -118.1869 558107.7879 -5.4614 -5.3894 PRESSURE: 297800 -87.9014 -200.805 -34.0884 -200.805 64.6316 63.4277 -34.0889 63.4276 -166.638 GPRESSURE: 297800 -77.0203 -105.895 -56.7463 -189.652 101.522 29.8601 -27.9243 70.1251 -114.63 PRESSAVG: 297800 -38.3295 8.78688 8.96085 8.78684 11.5339 29.7933 8.96078 29.7933 53.4455 GPRESSAVG: 297800 -38.4148 8.03263 9.68542 6.85373 11.4809 29.376 9.1282 31.1712 53.8437 TIMING: 297800 CPU: 865.666, 0.0029099/step Wall: 865.666, 0.0029099/step, 3.80082 hours remaining, 203.453125 MB of memory in use. ENERGY: 297800 730.9291 2072.4773 1979.6978 123.9700 -206094.5077 17832.8327 0.0000 0.0000 34411.0211 -148943.5799 300.5200 -183354.6009 -148841.2808 300.3083 -63.3027 -30.0425 559651.9705 8.8833 8.9700 PRESSURE: 298000 -165.523 -7.49437 20.2694 -7.49503 70.3447 -9.1009 20.2688 -9.10114 -121.332 GPRESSURE: 298000 -120.163 -30.3687 23.3441 -32.3457 69.2281 -101.768 108.212 86.7013 -63.1951 PRESSAVG: 298000 -82.6382 -31.899 69.8907 -31.899 43.2273 -5.36348 69.8907 -5.36344 12.9763 GPRESSAVG: 298000 -82.3075 -33.71 68.3457 -30.5621 42.9293 -5.61412 69.2147 -6.47077 12.7987 TIMING: 298000 CPU: 866.255, 0.00294326/step Wall: 866.255, 0.00294326/step, 3.84423 hours remaining, 203.453125 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: 298000 726.9540 2118.8512 1938.5887 103.4492 -206072.3913 17727.4842 0.0000 0.0000 34478.5125 -148978.5514 301.1094 -183457.0640 -148886.5330 300.0783 -72.1701 -38.0434 558792.4050 -8.8115 -8.8598 PRESSURE: 298200 -21.2924 -45.7697 -63.3751 -45.7686 -119.494 -12.8268 -63.3739 -12.8271 -45.2263 GPRESSURE: 298200 -31.2019 -22.0201 -41.2175 -0.930643 -78.9124 -20.5179 -20.2241 17.3512 20.0039 PRESSAVG: 298200 14.6812 -45.4933 -5.70346 -45.4933 -71.0385 6.15948 -5.70344 6.15957 55.4297 GPRESSAVG: 298200 13.6541 -42.3862 -6.06132 -45.6833 -70.0553 6.58458 -2.37657 7.15465 56.0046 TIMING: 298200 CPU: 866.841, 0.00292759/step Wall: 866.841, 0.00292759/step, 3.82359 hours remaining, 203.453125 MB of memory in use. ENERGY: 298200 720.0776 2122.3549 1971.1985 107.7964 -206502.3877 17885.3552 0.0000 0.0000 34585.4971 -149110.1081 302.0437 -183695.6052 -149016.4523 299.7346 -62.0041 -30.0368 557336.0577 -0.3092 -0.1322 PRESSURE: 298400 -1.83161 32.4491 -224.981 32.4482 -79.1561 176.81 -224.981 176.811 157.627 GPRESSURE: 298400 4.55865 49.2205 -204.088 21.4238 20.0971 192.908 -133.053 171.775 149.13 PRESSAVG: 298400 -0.842835 -67.214 35.1754 -67.214 -33.9625 9.95537 35.1753 9.9553 63.6577 GPRESSAVG: 298400 0.117086 -67.8167 36.9612 -66.5202 -34.1016 10.8203 33.2336 9.42784 62.6328 TIMING: 298400 CPU: 867.422, 0.00290552/step Wall: 867.422, 0.00290552/step, 3.79461 hours remaining, 203.453125 MB of memory in use. ENERGY: 298400 713.1600 2065.3830 1970.0806 112.7063 -206136.5929 17838.6886 0.0000 0.0000 34373.6392 -149062.9351 300.1935 -183436.5743 -148975.9168 299.9451 25.5465 57.9287 556740.7823 9.6174 9.5494 PRESSURE: 298600 255.48 -40.9699 155.249 -40.9692 -114.196 10.4126 155.249 10.4137 -184.774 GPRESSURE: 298600 236.808 -98.2165 136.669 -70.0313 -53.7354 -26.9936 154.625 66.4004 -121.791 PRESSAVG: 298600 30.0106 4.60455 -22.3855 4.6046 -52.5366 -10.0919 -22.3855 -10.0918 50.5404 GPRESSAVG: 298600 28.5471 3.80828 -25.1929 5.18356 -52.1117 -10.4616 -21.5084 -11.0795 51.8216 TIMING: 298600 CPU: 868.001, 0.00289811/step Wall: 868.001, 0.00289811/step, 3.78477 hours remaining, 203.453125 MB of memory in use. ENERGY: 298600 759.6482 2129.2748 1966.1057 97.5119 -206224.9175 17731.3679 0.0000 0.0000 34317.1805 -149223.8285 299.7005 -183541.0090 -149124.5678 299.2972 -14.4967 20.4274 557944.1559 9.3381 9.4190 PRESSURE: 298800 77.7621 135.436 -201.178 135.437 -103.961 47.1659 -201.18 47.1668 -214.003 GPRESSURE: 298800 80.7727 75.4565 -116.467 157.239 -47.8466 46.4866 -243.101 34.5757 -173.359 PRESSAVG: 298800 26.1461 57.2843 10.1881 57.2844 -44.1522 -38.0015 10.188 -38.0014 5.70965 GPRESSAVG: 298800 26.4944 56.08 11.6767 57.6081 -44.7492 -37.0937 9.10582 -37.3406 5.71661 TIMING: 298800 CPU: 868.581, 0.00289837/step Wall: 868.581, 0.00289837/step, 3.78495 hours remaining, 203.453125 MB of memory in use. ENERGY: 298800 731.1369 2100.6052 1990.5790 116.0535 -205764.0972 17561.9891 0.0000 0.0000 34145.5854 -149118.1481 298.2019 -183263.7335 -149020.0361 299.2277 -80.0673 -46.8110 556839.1702 -4.0988 -4.1794 PRESSURE: 299000 -66.0576 -120.574 116.762 -120.575 -158.073 -121.787 116.762 -121.787 -229.608 GPRESSURE: 299000 -8.56213 -139.079 146.166 -99.3621 -138.304 -95.8958 79.9881 -169.654 -206.046 PRESSAVG: 299000 20.8878 -16.3642 -17.1303 -16.3642 -33.4209 82.8965 -17.1304 82.8966 -11.7982 GPRESSAVG: 299000 20.1176 -15.7326 -19.2183 -17.8628 -33.0578 81.7685 -15.2582 83.3773 -11.5818 TIMING: 299000 CPU: 869.158, 0.00288316/step Wall: 869.158, 0.00288316/step, 3.76492 hours remaining, 203.453125 MB of memory in use. ENERGY: 299000 743.5814 2128.6874 1953.3697 115.1724 -205800.1384 17495.2416 0.0000 0.0000 34144.5117 -149219.5741 298.1925 -183364.0859 -149131.9375 299.1179 -151.2461 -117.6375 556957.8450 -8.1104 -8.1740 PRESSURE: 299200 -205.914 -14.8684 -336.978 -14.8694 -239.341 -32.4065 -336.978 -32.4068 -489.234 GPRESSURE: 299200 -225.113 -12.0091 -284.653 3.48619 -175.952 -36.1219 -296.299 5.16643 -438.471 PRESSAVG: 299200 53.9007 19.3883 5.30921 19.3884 -82.7987 -38.3263 5.30929 -38.3263 -5.26671 GPRESSAVG: 299200 54.4997 17.7126 6.36985 22.2993 -82.8575 -38.8314 4.71264 -38.5606 -5.90291 TIMING: 299200 CPU: 869.735, 0.00288636/step Wall: 869.735, 0.00288636/step, 3.76895 hours remaining, 203.453125 MB of memory in use. ENERGY: 299200 763.8130 2196.5678 1966.8123 100.7071 -205910.8194 17436.9267 0.0000 0.0000 34055.8341 -149390.1584 297.4181 -183445.9925 -149293.1401 298.6380 -311.4961 -279.8452 557648.3779 -11.3882 -11.4202 PRESSURE: 299400 290.104 20.7955 -221.425 20.7946 -18.7187 53.6708 -221.424 53.6708 17.4553 GPRESSURE: 299400 286.68 -5.54943 -244.838 17.8578 81.6057 98.6834 -187.17 37.7702 37.4069 PRESSAVG: 299400 -13.9248 -49.1055 -49.962 -49.1055 -9.32414 9.71388 -49.9619 9.71387 21.7414 GPRESSAVG: 299400 -14.7962 -48.3946 -49.019 -51.3031 -9.15245 10.6462 -50.8012 9.27437 22.9268 TIMING: 299400 CPU: 870.313, 0.00289162/step Wall: 870.313, 0.00289162/step, 3.77565 hours remaining, 203.453125 MB of memory in use. ENERGY: 299400 774.6301 2098.7791 1963.6906 106.3655 -206626.0983 18019.6690 0.0000 0.0000 34218.9716 -149443.9924 298.8428 -183662.9639 -149356.1360 299.5914 96.2804 135.2308 555357.0134 -0.5025 -0.3406 PRESSURE: 299600 35.5485 93.3695 -18.4994 93.3708 135.081 -36.3512 -18.4992 -36.3501 37.0364 GPRESSURE: 299600 45.9977 78.6423 -15.1966 42.2308 170.839 -58.448 9.8858 -28.5318 104.21 PRESSAVG: 299600 -2.32781 -12.6733 0.0479703 -12.6732 -16.9462 11.3451 0.0478954 11.345 36.495 GPRESSAVG: 299600 -2.05276 -12.4072 0.582403 -12.7698 -17.7868 11.3481 -1.34683 12.0037 36.6136 TIMING: 299600 CPU: 870.896, 0.0029139/step Wall: 870.896, 0.0029139/step, 3.80458 hours remaining, 203.453125 MB of memory in use. ENERGY: 299600 735.1815 2091.3333 1967.7331 106.5913 -206519.4383 17985.9390 0.0000 0.0000 34067.4738 -149565.1863 297.5197 -183632.6601 -149471.5600 298.6595 69.2220 107.0156 556483.4436 5.7403 5.5914 PRESSURE: 299800 -253.757 169.87 -89.794 169.873 -102.499 8.58701 -89.7948 8.5867 -116.995 GPRESSURE: 299800 -224.577 169.468 -53.6661 264.14 -39.9503 -8.94896 -62.169 3.95583 -110.401 PRESSAVG: 299800 -38.4756 -25.6081 8.23289 -25.6082 12.9635 -32.3654 8.23289 -32.3654 -29.6596 GPRESSAVG: 299800 -37.5437 -26.7528 7.27654 -24.109 12.5956 -32.7335 9.64391 -33.1915 -30.1513 TIMING: 299800 CPU: 871.476, 0.00290053/step Wall: 871.476, 0.00290053/step, 3.78696 hours remaining, 203.453125 MB of memory in use. ENERGY: 299800 721.9123 2076.4546 1974.2246 113.7632 -206264.5029 17758.3737 0.0000 0.0000 34182.2172 -149437.5573 298.5218 -183619.7745 -149339.9740 297.8643 -157.7505 -124.9760 559426.7307 -18.3906 -18.3665 PRESSURE: 300000 118.378 -24.1298 12.79 -24.1303 -29.4977 20.7706 12.7897 20.7703 102.058 GPRESSURE: 300000 118.56 25.4128 46.422 -44.1773 6.86135 -20.6673 17.2106 57.4289 156.284 PRESSAVG: 300000 -12.7294 45.5947 -27.1802 45.5947 -4.5868 -6.16644 -27.1801 -6.16637 12.9457 GPRESSAVG: 300000 -13.07 46.8371 -26.0234 43.2588 -4.24724 -6.9586 -27.7527 -5.08991 13.9072 TIMING: 300000 CPU: 872.056, 0.00290035/step Wall: 872.056, 0.00290035/step, 3.78657 hours remaining, 203.453125 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: 300000 721.4828 2092.5159 1988.4459 124.3990 -206126.2367 17715.5592 0.0000 0.0000 34151.7303 -149332.1036 298.2556 -183483.8339 -149233.1422 298.3572 63.6461 93.9018 556680.6510 -1.4569 -1.1367 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.010 seconds, 203.453 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.004 seconds, 203.453 MB of memory in use PRESSURE: 300200 -18.1707 54.8251 -34.049 54.8244 159.576 145.076 -34.0486 145.077 -48.6524 GPRESSURE: 300200 -44.2823 60.8898 -102.02 50.5913 191.926 83.8062 36.0463 204.781 34.5016 PRESSAVG: 300200 -11.1495 8.29154 15.1132 8.29164 39.1338 15.6263 15.1133 15.6263 52.3504 GPRESSAVG: 300200 -10.8823 9.48805 14.8013 9.89759 38.4847 17.4111 15.1696 14.5338 52.5406 TIMING: 300200 CPU: 872.651, 0.00297352/step Wall: 872.651, 0.00297352/step, 3.88193 hours remaining, 203.453125 MB of memory in use. ENERGY: 300200 700.1966 2125.4492 1985.4782 113.5054 -206153.5698 17699.5297 0.0000 0.0000 34194.7203 -149334.6904 298.6310 -183529.4107 -149250.9914 299.8368 30.9177 60.7151 555394.5339 26.7782 26.7143 LDB: ============= START OF LOAD BALANCING ============== 876.114 LDB: ============== END OF LOAD BALANCING =============== 876.114 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 876.116 LDB: ============= START OF LOAD BALANCING ============== 876.404 LDB: Largest compute 4820 load 0.027501 is 23.4% of average load 0.117542 LDB: Average compute 0.001739 is 1.5% of average load 0.117542 LDB: TIME 876.407 LOAD: AVG 0.117542 MAX 0.178811 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.188 MB LDB: TIME 876.407 LOAD: AVG 0.117542 MAX 0.178811 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.195 MB LDB: TIME 876.407 LOAD: AVG 0.117542 MAX 0.178811 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.195 MB LDB: ============== END OF LOAD BALANCING =============== 876.409 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 876.413 PRESSURE: 300400 185.583 -149.703 -259.24 -149.703 141.836 -11.7603 -259.239 -11.7594 232.528 GPRESSURE: 300400 248.478 -163.528 -230.756 -91.0675 183.366 81.8818 -221.732 -82.5055 220.925 PRESSAVG: 300400 53.9638 37.0064 -17.4637 37.0064 -32.7072 -29.1424 -17.4637 -29.1424 -39.7248 GPRESSAVG: 300400 52.4403 34.8144 -16.8111 36.6547 -31.6139 -30.4665 -17.3806 -28.8136 -39.2036 TIMING: 300400 CPU: 873.238, 0.00293653/step Wall: 873.238, 0.00293653/step, 3.83348 hours remaining, 202.023438 MB of memory in use. ENERGY: 300400 725.3183 2080.7555 1989.1175 118.3065 -206773.8054 18184.4573 0.0000 0.0000 34388.2451 -149287.6052 300.3211 -183675.8503 -149204.1280 299.4473 186.6491 217.5897 557352.5269 -6.1560 -6.1258 PRESSURE: 300600 177.471 38.8177 174.055 38.8187 202.34 -178.001 174.055 -178.002 -196.289 GPRESSURE: 300600 191.952 6.62083 149.561 78.8332 246.764 -207.053 172.479 -153.013 -156.882 PRESSAVG: 300600 12.6481 -50.5092 5.00303 -50.5092 24.5495 -41.7128 5.00297 -41.7127 -69.9091 GPRESSAVG: 300600 13.7285 -48.9976 3.79884 -51.6906 24.8694 -42.1878 5.79055 -40.7773 -71.7289 TIMING: 300600 CPU: 873.818, 0.00289744/step Wall: 873.818, 0.00289744/step, 3.78229 hours remaining, 202.484375 MB of memory in use. ENERGY: 300600 733.4021 2145.5496 1995.4781 112.3484 -206481.7602 18061.4759 0.0000 0.0000 34257.9007 -149175.6054 299.1828 -183433.5061 -149076.0811 299.6235 61.1739 93.9448 558996.8703 -10.9039 -11.0436 PRESSURE: 300800 -56.2773 -62.7657 -101.732 -62.765 24.7818 47.7635 -101.732 47.7645 -87.4072 GPRESSURE: 300800 -2.09727 -46.4695 -72.7748 10.1944 48.9089 115.8 -166.968 58.9516 -55.9241 PRESSAVG: 300800 7.03864 28.1264 33.6617 28.1265 17.4552 -42.2967 33.6617 -42.2967 -33.7673 GPRESSAVG: 300800 6.8892 28.7956 32.5063 28.3711 16.8533 -42.9107 34.1942 -41.8475 -32.5536 TIMING: 300800 CPU: 874.398, 0.00290051/step Wall: 874.398, 0.00290051/step, 3.78613 hours remaining, 202.484375 MB of memory in use. ENERGY: 300800 725.6556 2062.8094 1974.4599 97.2668 -206037.7826 17781.4423 0.0000 0.0000 34236.5479 -149159.6008 298.9963 -183396.1487 -149057.6384 298.9502 -39.6342 -3.0375 558448.0649 -3.0911 -2.9371 PRESSURE: 301000 -223.676 -59.5044 -119.195 -59.5034 346.501 130.614 -119.196 130.613 -82.1504 GPRESSURE: 301000 -198.569 37.1088 -145.556 -126.34 348.825 67.3588 -51.0455 183.832 -4.66687 PRESSAVG: 301000 -31.1128 -36.7569 -38.8133 -36.7569 7.44088 5.46219 -38.8134 5.46209 57.9999 GPRESSAVG: 301000 -30.7481 -35.6954 -37.0119 -37.2285 7.61848 7.21618 -38.1212 4.84392 57.4926 TIMING: 301000 CPU: 874.976, 0.00288904/step Wall: 874.976, 0.00288904/step, 3.77101 hours remaining, 202.484375 MB of memory in use. ENERGY: 301000 724.8583 2014.3584 1968.2907 110.3649 -206136.6578 17855.7426 0.0000 0.0000 34177.5200 -149285.5230 298.4808 -183463.0430 -149189.9073 298.8990 13.5581 48.5295 557678.2072 11.4427 11.4543 PRESSURE: 301200 136.72 -59.3645 174.739 -59.3642 250.385 3.51334 174.739 3.51508 -16.3165 GPRESSURE: 301200 144.025 -112.442 273.251 4.57252 322.687 -43.2218 85.3614 28.2537 5.94304 PRESSAVG: 301200 50.724 -53.3274 -10.8472 -53.3275 -14.3809 43.2067 -10.8473 43.2068 -2.53291 GPRESSAVG: 301200 50.8148 -56.0521 -10.8567 -50.795 -13.4682 42.3594 -13.1896 42.9459 -3.3524 TIMING: 301200 CPU: 875.555, 0.00289711/step Wall: 875.555, 0.00289711/step, 3.78137 hours remaining, 202.550781 MB of memory in use. ENERGY: 301200 740.3347 2058.7936 1993.5781 114.1063 -206409.6148 18069.3386 0.0000 0.0000 34185.8735 -149247.5899 298.5537 -183433.4635 -149156.9439 298.7247 123.5961 157.5517 557053.6660 11.2701 11.3314 PRESSURE: 301400 -206.24 95.4494 -139.183 95.4505 113.442 -141.316 -139.182 -141.317 53.6861 GPRESSURE: 301400 -151.745 79.2762 -63.301 175.254 111.327 -150.728 -183.515 -111.359 115.103 PRESSAVG: 301400 -35.3672 -26.0185 -4.25959 -26.0185 23.1869 -2.33233 -4.25955 -2.33234 2.47741 GPRESSAVG: 301400 -33.8735 -25.5287 -4.92892 -26.4849 22.3994 -0.652225 -2.23419 -4.7749 2.1391 TIMING: 301400 CPU: 876.139, 0.0029204/step Wall: 876.139, 0.0029204/step, 3.81161 hours remaining, 202.550781 MB of memory in use. ENERGY: 301400 749.4469 2076.4051 1964.7778 108.7069 -206714.0294 18016.7541 0.0000 0.0000 34352.0197 -149445.9189 300.0047 -183797.9386 -149355.5608 298.7069 -13.0373 24.8948 558061.2617 -3.2343 -3.1117 PRESSURE: 301600 -121.836 -121.292 -59.4035 -121.292 69.8986 -47.5094 -59.4046 -47.5111 -83.6237 GPRESSURE: 301600 -98.8332 -71.8318 -65.5294 -204.374 119.836 -34.283 -58.99 -40.2535 -70.8331 PRESSAVG: 301600 3.62747 -33.0548 -0.282768 -33.055 71.7344 -8.3426 -0.282772 -8.34258 -63.7352 GPRESSAVG: 301600 1.21246 -30.1177 -0.0959185 -34.9164 72.4878 -9.42201 0.747108 -6.84998 -63.4446 TIMING: 301600 CPU: 876.717, 0.00288738/step Wall: 876.717, 0.00288738/step, 3.76836 hours remaining, 202.550781 MB of memory in use. ENERGY: 301600 723.4482 2077.7042 1951.8975 107.9840 -206337.5104 17816.8005 0.0000 0.0000 34132.1285 -149527.5475 298.0844 -183659.6760 -149428.2700 298.1072 -45.1870 -16.6101 557048.4654 3.8756 3.4186 PRESSURE: 301800 -283.062 13.8108 112.218 13.8106 -29.1434 -11.9666 112.217 -11.9667 -60.7929 GPRESSURE: 301800 -212.276 89.729 74.0656 -48.0214 -26.8031 80.3841 155.234 -70.127 -53.2707 PRESSAVG: 301800 -22.4615 -19.6721 57.2812 -19.6722 74.6162 -18.5375 57.2812 -18.5374 -74.6663 GPRESSAVG: 301800 -22.3774 -20.7492 56.1284 -18.3161 74.4797 -18.1783 54.5712 -19.5532 -75.0257 TIMING: 301800 CPU: 877.295, 0.00289305/step Wall: 877.295, 0.00289305/step, 3.77559 hours remaining, 202.550781 MB of memory in use. ENERGY: 301800 732.4990 2050.7202 1965.7814 107.9482 -206123.4403 17659.6536 0.0000 0.0000 34245.4001 -149361.4379 299.0736 -183606.8379 -149255.2222 298.6608 -124.3328 -97.4500 558054.4011 -7.5039 -7.6411 PRESSURE: 302000 -287.36 -48.674 -225.362 -48.6742 135.866 -41.0178 -225.36 -41.017 -132.355 GPRESSURE: 302000 -244.68 -3.22226 -248.973 42.4706 130.354 24.0758 -211.292 -44.1331 -69.9517 PRESSAVG: 302000 -44.9524 -7.27776 -0.729706 -7.27779 111.452 3.94625 -0.729652 3.94623 -59.8844 GPRESSAVG: 302000 -45.1412 -6.91833 -1.41358 -8.44481 111.334 1.89675 1.03944 4.12463 -59.6917 TIMING: 302000 CPU: 877.876, 0.00290272/step Wall: 877.876, 0.00290272/step, 3.78805 hours remaining, 202.550781 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: 302000 743.4824 2152.1417 1985.4316 118.4003 -206253.8836 17831.4898 0.0000 0.0000 34041.3354 -149381.6024 297.2914 -183422.9378 -149285.1945 298.6227 -94.6166 -61.4260 557670.0661 2.2052 2.1670 PRESSURE: 302200 200.627 -3.20871 3.4081 -3.20873 -69.444 1.98789 3.41068 1.98904 -22.4975 GPRESSURE: 302200 233.48 -54.7838 -33.2135 59.4537 -21.9339 9.75758 27.0003 7.10516 -5.14727 PRESSAVG: 302200 -47.1644 -31.3684 -45.4874 -31.3683 61.5152 -4.5399 -45.4874 -4.53982 9.00308 GPRESSAVG: 302200 -46.5217 -32.399 -43.2282 -30.6485 60.1682 -4.18579 -46.3594 -2.21685 9.7323 TIMING: 302200 CPU: 878.452, 0.00288172/step Wall: 878.452, 0.00288172/step, 3.76049 hours remaining, 202.550781 MB of memory in use. ENERGY: 302200 750.7680 2101.6209 1991.7666 123.4056 -206266.8746 18018.3417 0.0000 0.0000 34120.8796 -149160.0922 297.9861 -183280.9719 -149066.1680 298.6000 36.2286 68.7996 557924.9863 7.7846 7.7929 PRESSURE: 302400 65.3942 6.6049 191.395 6.60407 42.2732 -6.25245 191.395 -6.25042 266.069 GPRESSURE: 302400 113.078 0.938147 122.35 -120.496 53.4063 16.2391 200.595 31.0326 293.073 PRESSAVG: 302400 -22.7431 -3.40819 20.2453 -3.40816 5.07023 -21.6677 20.2452 -21.6675 38.987 GPRESSAVG: 302400 -23.0046 -4.29248 19.4798 -1.09266 5.7779 -19.9672 20.9764 -22.6395 38.5189 TIMING: 302400 CPU: 879.032, 0.00290208/step Wall: 879.032, 0.00290208/step, 3.78689 hours remaining, 202.550781 MB of memory in use. ENERGY: 302400 740.4743 2042.6583 1965.7722 100.7408 -206161.4081 18032.3586 0.0000 0.0000 34284.3010 -148995.1029 299.4133 -183279.4039 -148897.0449 299.4950 124.5787 153.1860 558329.9663 7.1047 7.0974 PRESSURE: 302600 -41.4392 -60.8678 59.4391 -60.8687 96.5198 139.101 59.4392 139.101 -136.239 GPRESSURE: 302600 -36.1882 -31.7139 48.5579 -64.1815 149.707 33.2788 54.062 156.35 -99.7029 PRESSAVG: 302600 -0.0814557 -42.7554 54.0858 -42.7554 8.85786 3.12025 54.0859 3.12026 4.09325 GPRESSAVG: 302600 0.145549 -44.3578 54.0653 -42.5717 8.54214 3.04235 53.0949 1.8945 4.23206 TIMING: 302600 CPU: 879.609, 0.00288392/step Wall: 879.609, 0.00288392/step, 3.76303 hours remaining, 202.550781 MB of memory in use. ENERGY: 302600 761.4384 2090.0084 1982.2514 103.8537 -206207.0737 17940.3838 0.0000 0.0000 34373.8522 -148955.2857 300.1954 -183329.1379 -148856.6401 300.3623 -27.0528 4.6054 557894.8944 4.2899 4.3066 PRESSURE: 302800 111.367 16.7881 37.8693 16.7873 -60.1338 115.477 37.8682 115.476 -43.9053 GPRESSURE: 302800 93.7507 96.2097 27.9457 -92.6962 2.10414 177.474 -12.0872 43.475 21.633 PRESSAVG: 302800 6.57036 -2.84355 34.237 -2.84355 -6.91399 -21.911 34.2369 -21.9109 14.0331 GPRESSAVG: 302800 7.178 -0.427399 34.3908 -5.14246 -8.30547 -21.6741 34.8769 -21.1296 13.8509 TIMING: 302800 CPU: 880.185, 0.00288016/step Wall: 880.185, 0.00288016/step, 3.75796 hours remaining, 202.550781 MB of memory in use. ENERGY: 302800 735.7385 2072.8447 1947.6135 109.2133 -206380.1956 17949.1511 0.0000 0.0000 34400.3879 -149165.2466 300.4271 -183565.6345 -149069.6329 299.9169 2.4427 39.1626 558867.3737 4.5632 4.2411 PRESSURE: 303000 -16.4762 214.486 65.5118 214.485 -27.3457 -244.699 65.5118 -244.698 8.24814 GPRESSURE: 303000 -47.6272 218.997 7.34775 259.929 37.4867 -259.77 58.2831 -196.696 75.7374 PRESSAVG: 303000 2.18667 8.01783 24.9192 8.01772 50.4336 -14.8613 24.9192 -14.8612 -39.087 GPRESSAVG: 303000 1.1017 8.61893 25.1179 6.9963 51.5565 -16.0239 24.9267 -14.6679 -39.0372 TIMING: 303000 CPU: 880.766, 0.00290551/step Wall: 880.766, 0.00290551/step, 3.79088 hours remaining, 202.550781 MB of memory in use. ENERGY: 303000 738.3704 2115.2034 2002.8274 109.6743 -206591.0491 17923.4847 0.0000 0.0000 34564.7082 -149136.7807 301.8622 -183701.4889 -149041.3504 299.4524 -11.8579 21.8656 557211.1762 4.5111 4.5403 PRESSURE: 303200 160.988 64.9657 10.2338 64.964 164.604 -133.32 10.2355 -133.318 34.7278 GPRESSURE: 303200 156.313 98.8001 -42.9322 11.3067 258.932 -101.023 41.5653 -149.028 38.7449 PRESSAVG: 303200 -43.7576 33.0873 23.711 33.0873 93.8549 38.9172 23.711 38.9173 -23.8369 GPRESSAVG: 303200 -43.9216 31.1597 24.6655 34.8365 93.0681 39.6202 22.3914 37.4662 -23.397 TIMING: 303200 CPU: 881.345, 0.00289474/step Wall: 881.345, 0.00289474/step, 3.77668 hours remaining, 202.550781 MB of memory in use. ENERGY: 303200 750.3550 2090.9980 1992.0963 113.2782 -206153.9348 17970.6478 0.0000 0.0000 34116.9322 -149119.6274 297.9517 -183236.5596 -149022.5519 299.4673 120.1065 151.3300 556470.5263 8.7535 8.5832 PRESSURE: 303400 -66.9851 109.706 -89.4193 109.705 90.2318 151.209 -89.4188 151.21 -172 GPRESSURE: 303400 -25.9568 183.102 -92.2788 88.1829 80.553 99.6948 -96.2581 65.5115 -104.772 PRESSAVG: 303400 -2.84753 78.2804 5.68952 78.2804 50.8426 -3.88258 5.68954 -3.8826 -43.603 GPRESSAVG: 303400 -2.37116 78.793 4.66519 77.5437 51.7344 -4.97899 6.71291 -1.61368 -45.2816 TIMING: 303400 CPU: 881.922, 0.00288114/step Wall: 881.922, 0.00288114/step, 3.75876 hours remaining, 202.550781 MB of memory in use. ENERGY: 303400 724.8406 2129.6366 1974.7068 111.4512 -205956.3003 17660.2248 0.0000 0.0000 34153.2807 -149202.1596 298.2691 -183355.4404 -149108.0816 299.7026 -49.5844 -16.7252 558187.6011 1.4640 1.3606 PRESSURE: 303600 -77.7807 80.2101 -50.8144 80.2111 -42.4373 20.9029 -50.8163 20.9029 11.5664 GPRESSURE: 303600 -46.6778 130.852 21.9401 27.4629 -19.2278 0.0110484 -81.6352 -7.44026 62.885 PRESSAVG: 303600 -13.7544 40.8977 -37.9992 40.8976 40.6506 29.0222 -37.9993 29.0223 -38.9823 GPRESSAVG: 303600 -13.96 42.6056 -36.5259 39.8035 40.4289 31.4185 -38.6353 26.593 -38.0676 TIMING: 303600 CPU: 882.5, 0.00289283/step Wall: 882.5, 0.00289283/step, 3.77386 hours remaining, 202.550781 MB of memory in use. ENERGY: 303600 747.9033 2123.9447 1945.0347 114.5990 -206213.2585 17870.8816 0.0000 0.0000 34311.0908 -149099.8045 299.6473 -183410.8953 -149000.9682 299.3678 -36.2172 -1.0069 557173.1907 -4.0287 -3.8662 PRESSURE: 303800 -23.1709 74.0986 56.5256 74.0981 -48.3469 -47.8665 56.5246 -47.8657 -199.694 GPRESSURE: 303800 -3.28802 173.668 72.6842 -40.3524 -5.46418 -68.147 57.6093 -82.2165 -172.279 PRESSAVG: 303800 5.94173 48.8338 -38.1066 48.8338 18.9958 6.1774 -38.1065 6.17746 -23.5534 GPRESSAVG: 303800 6.78145 46.8952 -38.6997 52.5554 18.2507 6.91715 -39.0481 7.32902 -22.8722 TIMING: 303800 CPU: 883.08, 0.00290088/step Wall: 883.08, 0.00290088/step, 3.78419 hours remaining, 202.550781 MB of memory in use. ENERGY: 303800 782.7422 2056.6494 2006.7804 108.7190 -206161.4135 17759.5116 0.0000 0.0000 34092.6947 -149354.3163 297.7400 -183447.0109 -149264.3107 299.0083 -90.4039 -60.3437 556919.2537 0.4614 0.7200 PRESSURE: 304000 12.4331 163.62 76.2965 163.621 -234.708 33.9729 76.2983 33.9733 -320.731 GPRESSURE: 304000 -15.9725 172.184 139.512 146.382 -129.406 63.6435 46.8305 75.4405 -306.372 PRESSAVG: 304000 0.119714 17.907 -49.6995 17.9069 -13.5166 18.3058 -49.6995 18.306 30.3487 GPRESSAVG: 304000 0.554084 18.6624 -49.4195 17.1225 -13.4781 16.2172 -48.1332 19.9957 30.0245 TIMING: 304000 CPU: 883.665, 0.00292296/step Wall: 883.665, 0.00292296/step, 3.81284 hours remaining, 202.550781 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: 304000 757.5722 2109.7369 1995.3018 115.7090 -206131.0761 17535.9443 0.0000 0.0000 34203.0842 -149413.7278 298.7040 -183616.8119 -149315.8355 298.6200 -181.0021 -150.5836 556956.1240 5.6506 5.7002 PRESSURE: 304200 -105.219 -13.3874 -185.144 -13.387 -58.66 -13.8885 -185.143 -13.888 15.5632 GPRESSURE: 304200 -83.6302 -68.4783 -66.4949 0.60547 -75.8881 -33.4195 -238.065 4.90607 99.4928 PRESSAVG: 304200 13.9008 -1.21648 -5.13395 -1.21651 6.36624 15.8957 -5.13387 15.8957 -32.3918 GPRESSAVG: 304200 13.4046 -1.67128 -5.80325 -2.60369 7.18987 15.5452 -5.14528 15.1444 -31.9512 TIMING: 304200 CPU: 884.247, 0.00291215/step Wall: 884.247, 0.00291215/step, 3.79857 hours remaining, 202.550781 MB of memory in use. ENERGY: 304200 772.8004 2140.6419 1987.3680 114.6469 -205967.3534 17588.7831 0.0000 0.0000 34071.9291 -149291.1840 297.5586 -183363.1131 -149199.2917 298.8552 -49.4385 -20.0085 556154.0361 -4.0416 -3.7856 LDB: ============= START OF LOAD BALANCING ============== 887.713 LDB: ============== END OF LOAD BALANCING =============== 887.714 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 887.715 LDB: ============= START OF LOAD BALANCING ============== 888.004 LDB: Largest compute 4820 load 0.026813 is 22.8% of average load 0.117517 LDB: Average compute 0.001741 is 1.5% of average load 0.117517 LDB: TIME 888.007 LOAD: AVG 0.117517 MAX 0.178924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.504 MB LDB: TIME 888.007 LOAD: AVG 0.117517 MAX 0.178924 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.547 MB LDB: TIME 888.007 LOAD: AVG 0.117517 MAX 0.178924 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 888.009 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 888.013 PRESSURE: 304400 16.1494 43.3717 131.648 43.3703 -194.617 121.732 131.648 121.734 -196.065 GPRESSURE: 304400 16.336 51.5675 47.4404 -12.1218 -115.306 74.07 103.789 123.256 -166.491 PRESSAVG: 304400 38.6556 -17.8304 -67.1036 -17.8305 -21.0984 74.0347 -67.1036 74.0347 -18.3229 GPRESSAVG: 304400 38.7647 -18.6765 -67.5889 -16.5338 -21.4748 74.3993 -66.1934 73.4331 -18.0352 TIMING: 304400 CPU: 884.838, 0.00295302/step Wall: 884.838, 0.00295302/step, 3.85172 hours remaining, 201.511719 MB of memory in use. ENERGY: 304400 743.7940 2132.8090 1991.8476 120.0727 -206343.7140 17700.3243 0.0000 0.0000 34376.2308 -149278.6356 300.2162 -183654.8664 -149178.5388 299.2194 -124.8441 -88.4871 556851.6709 -0.2552 -0.2485 PRESSURE: 304600 -113.389 52.9018 -120.592 52.9011 -13.5775 -10.2319 -120.593 -10.2324 -124.38 GPRESSURE: 304600 -93.7374 118.008 -115.017 10.9598 31.8449 24.7229 -39.3999 -61.558 -98.1034 PRESSAVG: 304600 35.9329 23.3776 13.1235 23.3777 -55.5155 43.9247 13.1234 43.9248 -8.10126 GPRESSAVG: 304600 36.2586 23.9303 10.2502 21.7855 -55.9984 43.732 14.4503 45.1227 -8.43636 TIMING: 304600 CPU: 885.415, 0.00288455/step Wall: 885.415, 0.00288455/step, 3.76226 hours remaining, 201.511719 MB of memory in use. ENERGY: 304600 779.5316 2169.6276 1957.4220 115.3725 -206314.0778 17712.7143 0.0000 0.0000 34227.0703 -149352.3393 298.9135 -183579.4096 -149253.8739 299.2005 -83.7821 -53.3319 558464.4134 -9.2279 -9.3920 PRESSURE: 304800 -164.105 -26.8104 41.6033 -26.8122 -65.7938 44.6243 41.603 44.6237 -102.845 GPRESSURE: 304800 -163.974 -76.9401 53.0005 -15.2347 -72.301 45.0064 56.9928 -29.6313 -15.0907 PRESSAVG: 304800 -77.6272 20.7422 41.1834 20.7423 26.7367 16.7482 41.1833 16.7482 23.293 GPRESSAVG: 304800 -78.8213 22.1462 43.0918 22.3755 27.5207 14.5894 39.7509 16.2022 23.5448 TIMING: 304800 CPU: 885.995, 0.00289961/step Wall: 885.995, 0.00289961/step, 3.78174 hours remaining, 201.511719 MB of memory in use. ENERGY: 304800 782.2695 2096.3394 1959.7825 117.6377 -206321.7107 17718.4950 0.0000 0.0000 34329.2752 -149317.9114 299.8061 -183647.1866 -149218.1838 298.2074 -110.9147 -83.7885 557363.7617 -9.1992 -9.2519 PRESSURE: 305000 158.167 185.029 15.0095 185.029 -45.7819 -26.9333 15.0103 -26.9335 158.979 GPRESSURE: 305000 217.506 172.887 -3.56021 131.326 -58.7514 -27.8389 37.1716 -31.0546 195.671 PRESSAVG: 305000 -7.9752 50.2196 -16.0695 50.2197 63.6911 -32.4105 -16.0695 -32.4106 -23.086 GPRESSAVG: 305000 -6.38773 48.8026 -15.473 50.1605 62.9404 -31.7934 -15.4714 -32.8303 -23.6715 TIMING: 305000 CPU: 886.576, 0.00290441/step Wall: 886.576, 0.00290441/step, 3.78784 hours remaining, 201.511719 MB of memory in use. ENERGY: 305000 741.2468 2051.3234 1996.7921 116.1324 -206131.8438 17882.2993 0.0000 0.0000 33961.8408 -149382.2089 296.5972 -183344.0497 -149283.2177 298.0483 90.4545 118.1417 557401.5556 10.8766 10.9604 PRESSURE: 305200 2.9255 33.6123 -88.3593 33.613 -19.1011 -215.773 -88.3594 -215.774 -167.288 GPRESSURE: 305200 66.8082 48.9524 -106.732 -26.0418 -5.35699 -207.825 -156.7 -142.775 -155.314 PRESSAVG: 305200 -2.79044 66.4018 -2.13396 66.4018 -22.008 -18.5571 -2.13395 -18.5571 13.0438 GPRESSAVG: 305200 -3.84725 65.9455 -0.698878 69.1538 -21.5552 -16.7096 -4.56843 -19.7188 13.8897 TIMING: 305200 CPU: 887.154, 0.00289046/step Wall: 887.154, 0.00289046/step, 3.76948 hours remaining, 201.511719 MB of memory in use. ENERGY: 305200 784.7454 2074.4959 1981.8684 120.0132 -206267.7988 17797.4917 0.0000 0.0000 33944.2218 -149564.9625 296.4433 -183509.1842 -149472.3084 297.7812 -61.1544 -31.2876 557145.3223 -3.9182 -3.8376 PRESSURE: 305400 70.6242 -74.6285 61.5984 -74.6283 -128.276 14.8298 61.5983 14.8306 286.055 GPRESSURE: 305400 74.8562 -119.205 37.9087 -35.1157 -90.9304 -85.8838 131.541 67.8883 334.002 PRESSAVG: 305400 14.7694 -7.80544 36.7142 -7.80536 -7.19495 -47.1978 36.7143 -47.1978 -24.6902 GPRESSAVG: 305400 16.0517 -6.86036 34.6796 -11.8984 -7.28686 -47.5842 37.4503 -45.0678 -26.1251 TIMING: 305400 CPU: 887.729, 0.00287837/step Wall: 887.729, 0.00287837/step, 3.75356 hours remaining, 201.511719 MB of memory in use. ENERGY: 305400 681.8615 2075.6568 1992.6209 124.2712 -206557.1950 17896.5367 0.0000 0.0000 34140.8651 -149645.3830 298.1607 -183786.2480 -149546.6842 297.9844 76.1345 105.9760 556633.2095 -5.7052 -5.7867 PRESSURE: 305600 -290.03 -37.0709 -42.3695 -37.0695 200 21.8993 -42.3705 21.9009 70.4797 GPRESSURE: 305600 -218.409 -56.3037 -37.2026 -14.4267 250.797 76.2551 -25.0615 7.29944 42.7537 PRESSAVG: 305600 47.9437 -14.0022 19.0884 -14.0021 -39.2929 -28.5275 19.0884 -28.5275 -13.202 GPRESSAVG: 305600 46.205 -15.5596 21.2953 -14.6349 -37.962 -31.5552 19.1541 -26.5316 -12.4097 TIMING: 305600 CPU: 888.301, 0.00285818/step Wall: 888.301, 0.00285818/step, 3.72707 hours remaining, 201.511719 MB of memory in use. ENERGY: 305600 714.5683 2148.2924 1980.9989 107.8573 -206714.3281 17888.4276 0.0000 0.0000 34011.6288 -149862.5546 297.0320 -183874.1835 -149768.4830 297.8704 -6.5167 25.0472 556443.5055 -1.5171 -1.3889 PRESSURE: 305800 23.1798 22.6778 -37.9509 22.6788 -80.5908 -115.535 -37.9508 -115.535 -57.9871 GPRESSURE: 305800 -4.7342 35.1313 -27.5809 15.3342 20.8245 -67.8657 -28.1562 -146.491 -35.6301 PRESSAVG: 305800 19.0099 17.767 1.44914 17.7669 -22.2588 15.188 1.449 15.188 -37.3929 GPRESSAVG: 305800 19.6231 19.0741 0.74282 19.1343 -23.3268 18.4849 0.776167 10.7527 -35.9609 TIMING: 305800 CPU: 888.875, 0.00286967/step Wall: 888.875, 0.00286967/step, 3.74189 hours remaining, 201.511719 MB of memory in use. ENERGY: 305800 735.2188 2087.2836 1962.5678 112.8900 -206400.3322 17749.2637 0.0000 0.0000 33993.8696 -149759.2388 296.8769 -183753.1084 -149657.8956 297.0880 -38.4660 -6.5132 556195.2621 -13.5473 -13.2215 PRESSURE: 306000 116.303 -135.453 -0.745593 -135.452 62.585 80.12 -0.746082 80.1196 -233.903 GPRESSURE: 306000 176.127 -119.761 -105.898 -146.901 120.893 28.6779 102.992 38.5177 -257.082 PRESSAVG: 306000 23.2164 -0.108921 7.99473 -0.108825 19.6678 -11.4528 7.99471 -11.4531 -27.3491 GPRESSAVG: 306000 23.8803 -0.0219415 7.86991 -1.42379 19.3947 -11.2106 7.8217 -10.0063 -28.4805 TIMING: 306000 CPU: 889.449, 0.00286952/step Wall: 889.449, 0.00286952/step, 3.74153 hours remaining, 201.511719 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: 306000 745.4955 2113.5695 1985.1467 114.4231 -206365.5699 17807.6122 0.0000 0.0000 34175.9894 -149423.3334 298.4674 -183599.3228 -149325.4430 297.8560 -18.3382 13.3128 556499.7444 5.1784 4.9315 PRESSURE: 306200 -435.908 114.903 75.0415 114.903 -149.395 10.3714 75.0413 10.3713 -511.198 GPRESSURE: 306200 -367.487 118.269 -36.6914 53.9567 -134.351 28.2378 186.739 -2.14465 -498.328 PRESSAVG: 306200 84.4344 34.1196 -13.9702 34.1197 -38.0455 34.423 -13.9702 34.4228 -66.9898 GPRESSAVG: 306200 84.5836 34.9686 -15.2948 31.967 -37.055 33.4557 -12.2635 34.7825 -68.47 TIMING: 306200 CPU: 890.021, 0.00285833/step Wall: 890.021, 0.00285833/step, 3.72679 hours remaining, 201.511719 MB of memory in use. ENERGY: 306200 767.1474 2131.3650 1999.2033 108.6740 -206351.8297 17619.1109 0.0000 0.0000 34194.5923 -149531.7367 298.6299 -183726.3290 -149437.1698 298.1243 -365.5004 -333.3885 557804.0063 -6.8670 -6.9805 PRESSURE: 306400 46.144 -98.1504 159.754 -98.1516 47.392 -20.7899 159.753 -20.7896 7.76417 GPRESSURE: 306400 63.7215 -67.9568 266.453 -129.409 30.9789 9.55739 49.5036 -6.01112 97.0997 PRESSAVG: 306400 38.3584 45.7328 -31.9229 45.7328 -38.7153 28.1857 -31.923 28.1855 -0.081844 GPRESSAVG: 306400 38.0508 46.3132 -32.0928 48.8175 -39.426 28.8417 -30.2788 27.7876 1.04925 TIMING: 306400 CPU: 890.595, 0.00287093/step Wall: 890.595, 0.00287093/step, 3.74305 hours remaining, 201.511719 MB of memory in use. ENERGY: 306400 722.0618 2159.8529 1972.8311 119.1309 -206335.8374 17873.3427 0.0000 0.0000 34028.9606 -149459.6574 297.1834 -183488.6180 -149358.7156 298.2250 33.7667 63.9334 558772.1927 -0.1463 -0.1087 PRESSURE: 306600 -139.798 -8.57799 94.5492 -8.57789 -199.301 5.76228 94.5482 5.76206 -126.835 GPRESSURE: 306600 -119.793 -12.031 36.0332 -28.7256 -126.476 71.1549 22.2967 0.716653 -130.261 PRESSAVG: 306600 -53.5739 -7.85359 25.641 -7.85356 5.8392 14.3012 25.641 14.3012 55.4617 GPRESSAVG: 306600 -53.7726 -9.25057 26.0906 -7.72237 5.53632 14.1821 23.8246 12.4744 55.6678 TIMING: 306600 CPU: 891.167, 0.00286336/step Wall: 891.167, 0.00286336/step, 3.73302 hours remaining, 201.511719 MB of memory in use. ENERGY: 306600 760.8249 2070.5416 1995.6302 117.0143 -205856.6424 17494.8712 0.0000 0.0000 34110.5626 -149307.1976 297.8960 -183417.7602 -149217.8040 298.9578 -155.3115 -125.5099 558281.1803 2.5756 2.4772 PRESSURE: 306800 -106.273 -26.5875 -72.6779 -26.586 -190.205 -14.1495 -72.6795 -14.1476 -27.0502 GPRESSURE: 306800 -81.5327 0.252264 -21.5863 -39.3629 -114.261 -43.4625 -151.784 -2.46479 -24.8605 PRESSAVG: 306800 32.4072 -5.49805 41.2683 -5.49814 -41.5097 44.8461 41.2682 44.846 1.61434 GPRESSAVG: 306800 33.5081 -3.73697 42.3132 -6.9181 -41.6841 42.8766 42.2005 48.0587 0.555744 TIMING: 306800 CPU: 891.743, 0.00287705/step Wall: 891.743, 0.00287705/step, 3.75072 hours remaining, 201.511719 MB of memory in use. ENERGY: 306800 730.3489 2115.0583 1969.3204 106.1858 -206028.3465 17657.5600 0.0000 0.0000 34019.2836 -149430.5894 297.0989 -183449.8730 -149334.9556 298.7665 -107.8428 -73.5516 556685.7916 -2.4961 -2.5401 PRESSURE: 307000 -179.194 -31.2212 -36.0739 -31.2198 -179.638 4.30568 -36.0757 4.30564 465.49 GPRESSURE: 307000 -129.051 2.76023 -53.4807 -29.2567 -105.124 -57.2385 -70.7851 35.4711 448.348 PRESSAVG: 307000 -17.9554 11.8859 -22.8577 11.8859 3.24758 34.1208 -22.8577 34.1207 27.3913 GPRESSAVG: 307000 -18.6974 12.5719 -22.3174 11.2528 4.50145 36.2539 -24.6481 33.0791 27.5581 TIMING: 307000 CPU: 892.323, 0.00289895/step Wall: 892.323, 0.00289895/step, 3.7791 hours remaining, 201.511719 MB of memory in use. ENERGY: 307000 755.8520 2115.7986 1994.6986 127.2415 -206753.7450 17997.9834 0.0000 0.0000 34291.9050 -149470.2659 299.4797 -183762.1710 -149369.2434 298.7659 35.5527 71.3911 555618.6582 4.2278 4.4540 PRESSURE: 307200 -99.1033 -55.5218 -149.083 -55.5208 51.2578 4.99291 -149.083 4.9935 172.132 GPRESSURE: 307200 -57.9419 -98.4367 -102.412 -99.2223 96.8538 111.217 -161.448 -66.15 189.002 PRESSAVG: 307200 14.0184 -24.981 1.36116 -24.9809 6.44172 -45.393 1.36118 -45.393 -10.3861 GPRESSAVG: 307200 14.9603 -25.3901 2.2206 -22.5353 5.34391 -46.5055 1.0958 -45.4369 -9.47828 TIMING: 307200 CPU: 892.908, 0.00292498/step Wall: 892.908, 0.00292498/step, 3.81288 hours remaining, 201.511719 MB of memory in use. ENERGY: 307200 745.5629 2130.2485 1981.3288 127.1753 -206713.6026 17965.7203 0.0000 0.0000 34289.7102 -149473.8566 299.4606 -183763.5668 -149378.1253 298.7272 41.4287 75.9712 556079.6622 3.3580 3.6086 PRESSURE: 307400 -21.9667 -49.9016 93.7797 -49.9022 -169.309 87.0831 93.7799 87.0821 -106.962 GPRESSURE: 307400 48.4741 -137.874 139.56 -76.9419 -156.044 185.875 53.7721 45.9239 -84.4161 PRESSAVG: 307400 -27.9068 14.5586 30.6815 14.5586 26.9795 29.9077 30.6815 29.9077 37.827 GPRESSAVG: 307400 -27.9263 15.5219 28.7002 14.1792 26.5708 30.5428 31.2762 29.3001 38.4805 TIMING: 307400 CPU: 893.488, 0.00290448/step Wall: 893.488, 0.00290448/step, 3.78598 hours remaining, 201.511719 MB of memory in use. ENERGY: 307400 753.6208 2169.3044 1972.0384 102.3449 -206013.3786 17510.0825 0.0000 0.0000 34134.4539 -149371.5336 298.1047 -183505.9875 -149275.5326 298.9850 -99.4125 -63.9952 556445.7166 12.2999 12.3750 PRESSURE: 307600 17.9728 49.0624 118.995 49.0625 -392.072 21.6052 118.996 21.6053 -128.579 GPRESSURE: 307600 26.8911 102.887 33.298 -29.6315 -309.387 -114.303 110.863 1.30534 -117.917 PRESSAVG: 307600 36.1158 -19.5999 -42.4946 -19.6 -15.1314 54.3129 -42.4946 54.3131 -17.2214 GPRESSAVG: 307600 35.9092 -17.7751 -42.7405 -20.0348 -14.7301 55.9071 -42.2718 55.0028 -17.4253 TIMING: 307600 CPU: 894.07, 0.00290604/step Wall: 894.07, 0.00290604/step, 3.78786 hours remaining, 201.511719 MB of memory in use. ENERGY: 307600 775.8201 2101.3764 1977.7634 104.9560 -206288.0318 17746.9780 0.0000 0.0000 34277.3833 -149303.7545 299.3529 -183581.1379 -149207.4480 299.3730 -167.5594 -133.4712 557274.8928 1.2543 1.2513 PRESSURE: 307800 -208.795 -28.0208 105.42 -28.0211 -106.563 88.8873 105.42 88.8876 49.5504 GPRESSURE: 307800 -104.294 16.7007 44.9429 -3.6474 -183.011 78.5832 168.425 122.269 114.169 PRESSAVG: 307800 1.01823 74.8295 -22.6639 74.8294 -56.3919 17.2197 -22.6639 17.2197 -0.672294 GPRESSAVG: 307800 -0.0355981 72.2966 -22.3703 74.1259 -55.4197 15.6339 -22.2011 17.3582 -1.16945 TIMING: 307800 CPU: 894.654, 0.00292258/step Wall: 894.654, 0.00292258/step, 3.80926 hours remaining, 201.511719 MB of memory in use. ENERGY: 307800 754.7151 2055.6131 1981.0825 105.4941 -205832.2075 17658.6215 0.0000 0.0000 34043.2941 -149233.3872 297.3086 -183276.6813 -149134.7220 299.3558 -88.6026 -57.7120 558068.6208 -18.6820 -18.8749 PRESSURE: 308000 -230.892 15.3236 -78.0049 15.323 195.89 46.307 -78.0046 46.3064 251.916 GPRESSURE: 308000 -203.406 -15.54 -108.584 -45.828 247.419 18.7259 -85.2321 67.7324 263.964 PRESSAVG: 308000 -55.7014 -58.9428 -12.946 -58.9428 24.3031 43.9348 -12.9461 43.9349 16.1267 GPRESSAVG: 308000 -56.3258 -60.9072 -11.9964 -58.5508 24.762 45.1316 -13.5482 44.028 16.9391 TIMING: 308000 CPU: 895.235, 0.00290562/step Wall: 895.235, 0.00290562/step, 3.78699 hours remaining, 201.511719 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: 308000 749.1475 2085.5405 1960.9049 113.5739 -206133.4698 17753.2336 0.0000 0.0000 34346.3186 -149124.7508 299.9549 -183471.0694 -149032.7238 298.8546 72.3046 102.6589 556915.3829 -5.0905 -4.8749 PRESSURE: 308200 -10.4478 -21.2798 -84.9582 -21.2804 -18.9095 36.0851 -84.9597 36.0851 -7.28548 GPRESSURE: 308200 14.1131 -24.8964 -73.4384 7.26745 18.1834 69.2404 -124.826 48.0745 32.3657 PRESSAVG: 308200 -41.6818 7.76721 4.00939 7.76718 -3.34038 15.8026 4.0094 15.8026 60.0087 GPRESSAVG: 308200 -41.2235 10.1602 4.12961 8.95068 -3.51773 15.9644 1.29121 14.552 59.8611 TIMING: 308200 CPU: 895.814, 0.00289229/step Wall: 895.814, 0.00289229/step, 3.76946 hours remaining, 201.511719 MB of memory in use. ENERGY: 308200 750.5956 2154.9267 1973.8862 113.1528 -206243.1157 17731.0986 0.0000 0.0000 34237.2496 -149282.2062 299.0024 -183519.4558 -149186.2257 298.8746 -12.2143 21.5541 558166.5981 4.9955 5.0400 LDB: ============= START OF LOAD BALANCING ============== 899.28 LDB: ============== END OF LOAD BALANCING =============== 899.281 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 899.282 LDB: ============= START OF LOAD BALANCING ============== 899.571 LDB: Largest compute 4820 load 0.028760 is 24.5% of average load 0.117547 LDB: Average compute 0.001740 is 1.5% of average load 0.117547 LDB: TIME 899.574 LOAD: AVG 0.117547 MAX 0.177298 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.055 MB LDB: TIME 899.574 LOAD: AVG 0.117547 MAX 0.177298 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.055 MB LDB: TIME 899.574 LOAD: AVG 0.117547 MAX 0.177298 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 899.576 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 899.58 PRESSURE: 308400 -287.376 -34.1968 -59.2017 -34.1969 -401.066 -20.2104 -59.202 -20.2127 -232.659 GPRESSURE: 308400 -199.934 -2.29931 -22.0193 -16.3443 -385.485 -72.872 -11.7477 -69.176 -233.285 PRESSAVG: 308400 -25.7897 -19.4538 -19.1447 -19.4537 -86.6277 -48.0423 -19.1447 -48.0423 82.2675 GPRESSAVG: 308400 -25.8818 -20.3635 -18.4072 -18.4765 -86.8364 -50.0564 -16.1266 -48.1512 82.7253 TIMING: 308400 CPU: 896.405, 0.00295718/step Wall: 896.405, 0.00295717/step, 3.85386 hours remaining, 203.304688 MB of memory in use. ENERGY: 308400 756.3795 2141.7833 1973.9016 112.7504 -205768.3943 17353.3765 0.0000 0.0000 34181.7200 -149248.4830 298.5175 -183430.2030 -149150.6318 299.8770 -307.0340 -272.9013 558937.0157 -10.0500 -9.9976 PRESSURE: 308600 185.539 -28.2507 137.798 -28.2513 50.6333 -11.368 137.799 -11.3673 94.3304 GPRESSURE: 308600 277.798 -84.6899 174.63 5.28472 101.631 -15.0677 141.305 -3.61372 52.1662 PRESSAVG: 308600 21.5756 -14.896 68.5872 -14.8959 -3.69842 -16.8547 68.5872 -16.8547 25.3935 GPRESSAVG: 308600 22.9633 -15.0406 67.0105 -16.1931 -4.34784 -16.5541 68.7435 -15.5727 24.9169 TIMING: 308600 CPU: 896.985, 0.00289757/step Wall: 896.985, 0.00289757/step, 3.77602 hours remaining, 203.507812 MB of memory in use. ENERGY: 308600 722.6766 2097.8182 1968.9981 97.5914 -206185.3792 17864.8729 0.0000 0.0000 34593.4695 -148839.9527 302.1134 -183433.4221 -148741.5734 300.2189 110.1676 143.8651 556998.6768 14.4236 14.5108 PRESSURE: 308800 -99.2665 -84.9861 276.98 -84.9863 311.361 101.272 276.981 101.272 78.3267 GPRESSURE: 308800 -89.3476 -59.1633 235.16 -162.783 353.612 86.3663 238.104 73.0913 116.32 PRESSAVG: 308800 6.63447 -49.643 35.9687 -49.643 41.742 -26.6306 35.9688 -26.6305 -10.9358 GPRESSAVG: 308800 5.28086 -47.8256 36.4834 -50.4646 43.1816 -25.5112 36.386 -26.9669 -10.8419 TIMING: 308800 CPU: 897.564, 0.00289442/step Wall: 897.564, 0.00289442/step, 3.77175 hours remaining, 203.507812 MB of memory in use. ENERGY: 308800 694.2385 2094.6279 1994.1930 113.8125 -206192.2593 17961.0693 0.0000 0.0000 34399.9902 -148934.3279 300.4237 -183334.3181 -148833.6893 300.3329 96.8071 126.8614 557889.5533 12.4802 12.5402 PRESSURE: 309000 127.585 -87.7318 207.524 -87.7321 168.104 65.9236 207.524 65.9239 -132.31 GPRESSURE: 309000 192.684 -70.2569 240.521 -39.1907 203.517 85.6661 212.397 -0.185335 -132.071 PRESSAVG: 309000 -42.8916 -12.7803 72.6769 -12.7804 35.7067 -43.0799 72.6769 -43.08 -11.4048 GPRESSAVG: 309000 -42.4444 -13.3112 70.8588 -11.5059 35.2062 -42.0175 71.8261 -44.6316 -11.2528 TIMING: 309000 CPU: 898.147, 0.00291883/step Wall: 898.147, 0.00291883/step, 3.8034 hours remaining, 203.507812 MB of memory in use. ENERGY: 309000 692.6500 2068.3099 2002.7823 108.1600 -205550.6444 17675.2723 0.0000 0.0000 34054.7920 -148948.6778 297.4090 -183003.4698 -148852.0476 300.0734 54.4599 88.0430 557127.4280 -6.1966 -6.1637 PRESSURE: 309200 -27.8402 -12.706 60.4322 -12.7056 -203.777 55.5341 60.4325 55.5344 210.138 GPRESSURE: 309200 -47.4682 19.251 142.654 -2.59481 -162.38 54.9232 47.1392 44.3717 280.084 PRESSAVG: 309200 -38.3631 -33.6827 24.0891 -33.6827 -4.47637 -8.36931 24.0891 -8.3693 52.6248 GPRESSAVG: 309200 -39.0027 -37.0303 25.9832 -33.1411 -4.24779 -9.15723 22.5624 -7.87193 52.7947 TIMING: 309200 CPU: 898.727, 0.00289998/step Wall: 898.727, 0.00289998/step, 3.77867 hours remaining, 203.507812 MB of memory in use. ENERGY: 309200 775.0505 2120.0037 1966.4008 112.0525 -205964.1274 17646.7640 0.0000 0.0000 34380.7550 -148963.1009 300.2557 -183343.8558 -148877.9150 300.5111 -7.1597 23.4118 557224.9535 3.2618 3.1814 PRESSURE: 309400 -16.1305 -6.10399 72.2142 -6.10509 205.829 19.2142 72.215 19.2126 -13.9895 GPRESSURE: 309400 25.5248 -47.2182 50.9314 -28.012 251.406 79.8485 39.5493 73.4399 -10.2003 PRESSAVG: 309400 4.55351 38.1759 -36.2122 38.176 31.4181 11.5054 -36.2123 11.5054 16.0942 GPRESSAVG: 309400 4.39238 37.9239 -33.8428 37.4653 31.7136 9.82948 -37.5669 11.933 15.9023 TIMING: 309400 CPU: 899.312, 0.00292232/step Wall: 899.312, 0.00292232/step, 3.80762 hours remaining, 203.507812 MB of memory in use. ENERGY: 309400 748.4703 2145.9793 1970.7592 116.5893 -206110.7183 17758.1448 0.0000 0.0000 34272.1057 -149098.6697 299.3068 -183370.7754 -149007.4734 300.2382 58.5695 88.9102 557107.1957 17.3552 17.3361 PRESSURE: 309600 -318.655 100.97 -46.6413 100.969 92.6773 -17.0421 -46.6401 -17.0413 -199.201 GPRESSURE: 309600 -245.504 119.768 -77.5758 3.04979 78.2612 -13.0489 -36.4468 -23.2688 -157.489 PRESSAVG: 309600 47.2268 -13.0569 32.1871 -13.0568 44.3509 51.837 32.187 51.837 -98.0326 GPRESSAVG: 309600 49.2919 -11.4179 30.9334 -13.8762 43.0336 52.2551 33.7163 52.3926 -99.1544 TIMING: 309600 CPU: 899.889, 0.00288455/step Wall: 899.889, 0.00288455/step, 3.75825 hours remaining, 203.507812 MB of memory in use. ENERGY: 309600 745.9996 2107.6830 1983.8266 115.5201 -206019.9915 17568.4548 0.0000 0.0000 34237.0873 -149261.4202 299.0010 -183498.5075 -149162.1889 299.5751 -141.7262 -108.2439 557466.5785 -2.1516 -2.2763 PRESSURE: 309800 33.61 183.379 86.2571 183.378 -96.4033 136.055 86.2563 136.057 -76.6605 GPRESSURE: 309800 67.301 253.265 101.911 76.3992 -91.7033 146.978 157.175 85.5563 -20.8594 PRESSAVG: 309800 7.2363 11.6259 19.8849 11.6257 -0.534552 -9.26931 19.8848 -9.26932 27.2729 GPRESSAVG: 309800 6.37667 13.756 20.659 11.2415 -0.518676 -7.35328 20.352 -10.2488 27.9183 TIMING: 309800 CPU: 900.469, 0.00290236/step Wall: 900.469, 0.00290236/step, 3.78129 hours remaining, 203.507812 MB of memory in use. ENERGY: 309800 714.3805 2096.3004 1975.6552 105.7882 -206399.9912 17778.4347 0.0000 0.0000 34303.5117 -149425.9205 299.5811 -183729.4322 -149327.6737 298.7413 -46.4846 -15.0872 557248.3981 11.3249 11.2588 PRESSURE: 310000 186.151 -3.69484 -83.3945 -3.694 183.193 129.958 -83.3937 129.96 98.1186 GPRESSURE: 310000 254.939 -7.5511 -122.6 -25.669 190.425 167.53 -57.3941 150.575 109.796 PRESSAVG: 310000 25.5725 44.7301 -4.68246 44.7301 -56.6664 36.7078 -4.68249 36.7078 20.462 GPRESSAVG: 310000 25.2477 41.6288 -6.48273 48.7901 -55.7729 36.5024 -5.18157 36.1636 19.6728 TIMING: 310000 CPU: 901.048, 0.00289508/step Wall: 901.048, 0.00289508/step, 3.77164 hours remaining, 203.507812 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: 310000 753.7493 2023.5377 1953.0078 114.7227 -206774.4809 18339.7556 0.0000 0.0000 34144.1827 -149445.5251 298.1896 -183589.7078 -149344.5761 298.2050 155.8208 185.0532 558131.2354 -3.5440 -3.6175 PRESSURE: 310200 105.357 99.0084 -194.088 99.0085 -81.4897 45.252 -194.088 45.2513 111.756 GPRESSURE: 310200 101.183 -47.283 -205.945 121.741 -36.9916 100.735 -189.926 8.79899 164.911 PRESSAVG: 310200 79.287 -0.139325 0.333273 -0.139391 27.5253 67.9737 0.333253 67.9737 -61.7032 GPRESSAVG: 310200 78.5723 1.47303 -0.0376494 -3.48517 27.3279 66.3115 -0.586723 69.6365 -60.9527 TIMING: 310200 CPU: 901.631, 0.0029148/step Wall: 901.631, 0.0029148/step, 3.79717 hours remaining, 203.507812 MB of memory in use. ENERGY: 310200 727.1627 1982.0732 2015.7438 130.7823 -206579.5070 18074.0619 0.0000 0.0000 34251.8010 -149397.8820 299.1295 -183649.6831 -149296.7551 298.1284 45.2077 76.3675 558488.3638 15.0364 14.9825 PRESSURE: 310400 92.7414 26.4237 118.461 26.4237 -359.464 110.009 118.46 110.01 -60.1756 GPRESSURE: 310400 129.24 -16.2059 2.50999 45.9064 -288.86 159.354 138.731 44.3507 -69.568 PRESSAVG: 310400 29.1578 12.4112 -43.9247 12.4111 -42.7544 23.6004 -43.9246 23.6005 27.8599 GPRESSAVG: 310400 28.507 11.6614 -44.4011 13.0568 -43.1726 22.7049 -42.4784 22.0257 28.3943 TIMING: 310400 CPU: 902.213, 0.00290813/step Wall: 902.213, 0.00290813/step, 3.78833 hours remaining, 203.507812 MB of memory in use. ENERGY: 310400 763.8825 2052.1544 1971.1353 125.3809 -206089.3557 17874.7359 0.0000 0.0000 33937.3859 -149364.6808 296.3836 -183302.0668 -149274.6239 297.7636 -108.9662 -76.3959 559986.5593 4.7544 4.5762 PRESSURE: 310600 73.1322 -107.922 -7.1776 -107.923 -2.28995 -6.54237 -7.17769 -6.54169 51.4138 GPRESSURE: 310600 74.466 -109.088 -35.8126 -138.914 62.7397 -30.0482 -24.8956 12.6282 76.864 PRESSAVG: 310600 36.5575 -24.7171 -7.14752 -24.7172 -4.56513 32.4794 -7.14746 32.4793 -22.8332 GPRESSAVG: 310600 36.9428 -24.7098 -7.37132 -24.623 -3.28944 35.0968 -7.02767 32.5656 -24.2538 TIMING: 310600 CPU: 902.793, 0.0028993/step Wall: 902.793, 0.0028993/step, 3.77666 hours remaining, 203.566406 MB of memory in use. ENERGY: 310600 748.3711 2038.6681 1961.4541 105.8193 -206622.8607 18126.1133 0.0000 0.0000 34250.3454 -149392.0894 299.1168 -183642.4348 -149287.2560 298.5314 40.7520 71.3566 558789.1730 3.0531 3.1332 PRESSURE: 310800 -111.022 -182.764 -216.604 -182.763 172.773 86.0954 -216.603 86.0944 -84.3807 GPRESSURE: 310800 -86.24 -138.663 -292.437 -135.868 196.615 44.4306 -282.971 138.033 -29.1098 PRESSAVG: 310800 62.6327 -14.6569 -49.0483 -14.6569 25.602 -20.2158 -49.0483 -20.2158 -130.128 GPRESSAVG: 310800 62.8001 -15.0095 -48.9585 -12.8388 25.2133 -21.9783 -51.09 -18.183 -129.952 TIMING: 310800 CPU: 903.37, 0.00288438/step Wall: 903.37, 0.00288438/step, 3.75706 hours remaining, 203.566406 MB of memory in use. ENERGY: 310800 730.5577 2098.9939 1968.4868 97.5199 -206436.8324 17791.9063 0.0000 0.0000 34218.7903 -149530.5775 298.8412 -183749.3678 -149437.4924 298.0434 -7.5433 27.0885 556064.3147 -13.9643 -13.9796 PRESSURE: 311000 -22.128 83.6176 -34.1475 83.6177 -144.308 68.0032 -34.1477 68.005 -125.89 GPRESSURE: 311000 12.846 68.1023 -36.5628 93.233 -123.075 59.465 -49.1573 69.6371 -84.5076 PRESSAVG: 311000 31.7989 -39.6986 -31.0953 -39.6986 83.5992 -30.9822 -31.0952 -30.9821 -78.0733 GPRESSAVG: 311000 32.4297 -40.9138 -33.8969 -41.5233 82.1714 -29.3239 -28.656 -31.3561 -77.1141 TIMING: 311000 CPU: 903.946, 0.00288308/step Wall: 903.946, 0.00288308/step, 3.75521 hours remaining, 203.566406 MB of memory in use. ENERGY: 311000 762.3383 2097.7738 1947.0353 111.4137 -206568.3652 17876.7490 0.0000 0.0000 34432.2996 -149340.7554 300.7058 -183773.0551 -149242.0637 299.0263 -97.4422 -64.9120 557701.2187 12.4416 12.4957 PRESSURE: 311200 42.9667 80.0741 -30.2878 80.0738 97.2718 -94.7275 -30.2894 -94.7271 106.002 GPRESSURE: 311200 -4.9673 45.5215 5.04001 76.6414 166.366 -58.9977 -8.1603 -71.3558 170.792 PRESSAVG: 311200 55.0546 -1.06638 -14.8393 -1.06642 -28.722 24.6271 -14.8393 24.627 -4.92798 GPRESSAVG: 311200 54.3259 -0.531505 -13.103 0.332149 -27.1366 24.2522 -15.4693 23.1286 -5.43126 TIMING: 311200 CPU: 904.529, 0.00291662/step Wall: 904.529, 0.00291662/step, 3.79874 hours remaining, 203.566406 MB of memory in use. ENERGY: 311200 737.3933 2060.5872 1978.4957 119.3390 -206668.7649 18025.6605 0.0000 0.0000 34411.2135 -149336.0757 300.5217 -183747.2892 -149242.5947 299.5637 82.0801 110.7302 556684.1212 7.1349 7.2527 PRESSURE: 311400 -291.592 79.9851 -63.6825 79.9841 -97.7868 1.42283 -63.6823 1.42241 -340.26 GPRESSURE: 311400 -253.979 49.2008 -42.6257 46.7931 -101.812 -48.3954 -2.10069 5.83901 -277.672 PRESSAVG: 311400 65.8447 -17.0078 -5.74206 -17.0078 56.0874 5.25876 -5.74199 5.2586 -71.2641 GPRESSAVG: 311400 66.3569 -15.7175 -3.33836 -18.6115 54.2059 5.79228 -7.06887 5.82482 -70.2688 TIMING: 311400 CPU: 905.115, 0.0029271/step Wall: 905.115, 0.0029271/step, 3.81223 hours remaining, 203.566406 MB of memory in use. ENERGY: 311400 744.7851 2090.3456 1971.0021 113.4406 -205885.4329 17514.8303 0.0000 0.0000 34220.5192 -149230.5100 298.8563 -183451.0292 -149132.0775 298.6293 -243.2128 -211.1542 558110.0405 16.8894 16.7647 PRESSURE: 311600 230.422 69.8513 -125.622 69.8516 117.391 -74.4128 -125.622 -74.4151 -143.237 GPRESSURE: 311600 207.678 -15.9845 -236.273 49.2069 212.663 -46.4072 -157.664 -5.90568 -127.754 PRESSAVG: 311600 34.9818 30.1008 -30.4431 30.1008 39.2006 -9.4059 -30.4431 -9.40579 -88.8616 GPRESSAVG: 311600 35.2094 29.3294 -32.0659 30.5143 39.5605 -11.5289 -29.2527 -9.80707 -88.535 TIMING: 311600 CPU: 905.696, 0.00290667/step Wall: 905.696, 0.00290667/step, 3.78546 hours remaining, 203.703125 MB of memory in use. ENERGY: 311600 723.2751 2066.9435 1983.2167 107.5274 -206453.8575 18055.9870 0.0000 0.0000 34417.0200 -149099.8879 300.5724 -183516.9079 -149009.6729 299.2584 68.1919 97.5290 556421.8736 -4.8931 -4.5884 PRESSURE: 311800 57.7471 74.2111 136.478 74.2133 -47.0159 -41.7514 136.478 -41.7497 40.9816 GPRESSURE: 311800 137.278 43.0415 37.2124 21.6167 -46.6184 -63.0609 189.907 8.62138 72.0805 PRESSAVG: 311800 48.0554 29.9819 13.5814 29.982 -14.6269 -38.185 13.5813 -38.1849 4.25068 GPRESSAVG: 311800 48.5519 29.4571 15.2499 31.619 -14.7344 -36.1072 12.263 -37.254 3.35773 TIMING: 311800 CPU: 906.275, 0.00289458/step Wall: 906.275, 0.00289458/step, 3.76955 hours remaining, 203.703125 MB of memory in use. ENERGY: 311800 732.6364 2112.8647 1984.2975 130.6521 -206218.5151 17853.8220 0.0000 0.0000 34249.2228 -149155.0196 299.1070 -183404.2424 -149057.5523 299.1348 17.2376 54.2467 556790.6015 12.5597 12.3917 PRESSURE: 312000 -209.397 -195.912 100.209 -195.911 -130.346 24.222 100.209 24.2234 -32.8926 GPRESSURE: 312000 -117.736 -228.86 232.062 -187.435 -97.6369 47.2563 33.1109 50.3963 -56.4806 PRESSAVG: 312000 18.5573 -42.9578 -18.1904 -42.9578 -15.8323 27.2903 -18.1904 27.2901 -30.2797 GPRESSAVG: 312000 17.9743 -42.7957 -18.3735 -44.0461 -15.8249 27.3856 -16.0788 26.4486 -29.7513 TIMING: 312000 CPU: 906.852, 0.00288577/step Wall: 906.852, 0.00288577/step, 3.75791 hours remaining, 203.703125 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: 312000 764.8149 2086.3131 1974.7233 118.5732 -206159.7383 17734.7131 0.0000 0.0000 34319.6480 -149160.9527 299.7220 -183480.6007 -149054.7168 298.5115 -124.2117 -90.6180 557292.7337 -9.1849 -9.2006 PRESSURE: 312200 -251.455 20.5526 -70.9917 20.5532 -43.3434 -117.407 -70.9904 -117.407 -96.4161 GPRESSURE: 312200 -217.201 94.8728 -108.61 -17.8439 7.01785 -59.9604 -105.398 -66.5113 -70.8992 PRESSAVG: 312200 76.3029 -12.249 19.9082 -12.249 33.9519 1.02657 19.9082 1.02662 -103.734 GPRESSAVG: 312200 76.1891 -12.7628 20.9632 -12.1846 34.3096 -5.75758e-05 16.5482 3.20811 -104.144 TIMING: 312200 CPU: 907.432, 0.00289929/step Wall: 907.432, 0.00289929/step, 3.77536 hours remaining, 203.703125 MB of memory in use. ENERGY: 312200 744.2465 2103.4028 1966.1979 120.2042 -205972.1936 17664.6775 0.0000 0.0000 34217.6016 -149155.8632 298.8308 -183373.4648 -149058.8266 299.2288 -130.4048 -93.6942 557439.8397 2.1736 2.1181 LDB: ============= START OF LOAD BALANCING ============== 910.898 LDB: ============== END OF LOAD BALANCING =============== 910.898 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 910.9 LDB: ============= START OF LOAD BALANCING ============== 911.189 LDB: Largest compute 4820 load 0.026717 is 22.7% of average load 0.117510 LDB: Average compute 0.001736 is 1.5% of average load 0.117510 LDB: TIME 911.192 LOAD: AVG 0.11751 MAX 0.176735 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.621 MB LDB: TIME 911.192 LOAD: AVG 0.11751 MAX 0.176735 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.855 MB LDB: TIME 911.192 LOAD: AVG 0.11751 MAX 0.176735 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 911.195 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 911.199 PRESSURE: 312400 -243.089 50.8596 -110.363 50.8608 -261.023 104.748 -110.363 104.749 -220.375 GPRESSURE: 312400 -223.265 7.89 -85.7912 8.31446 -223.742 126.815 -123.731 140.36 -172.938 PRESSAVG: 312400 1.68163 -4.19275 -17.1256 -4.1927 -30 37.6887 -17.1255 37.6887 40.6255 GPRESSAVG: 312400 2.07043 -5.24181 -18.4307 -2.95631 -29.5238 38.9832 -15.3234 36.3939 39.6719 TIMING: 312400 CPU: 908.023, 0.00295568/step Wall: 908.023, 0.00295568/step, 3.84863 hours remaining, 203.753906 MB of memory in use. ENERGY: 312400 796.2735 2088.8348 1968.2716 115.0015 -205975.4360 17678.4620 0.0000 0.0000 34261.6991 -149066.8935 299.2159 -183328.5925 -148974.3329 298.6971 -241.4956 -206.6485 558253.6679 4.1024 4.0728 PRESSURE: 312600 -438.139 -28.0335 -18.6479 -28.0341 -26.0706 -117.796 -18.6482 -117.796 -117.688 GPRESSURE: 312600 -334.066 72.3854 -36.7961 -13.8091 -65.3449 -100.356 1.25168 -84.69 -93.95 PRESSAVG: 312600 -4.4602 -42.8591 27.6558 -42.859 -1.16281 6.67925 27.6558 6.67941 -16.5225 GPRESSAVG: 312600 -4.94795 -42.4808 27.815 -43.4319 -2.11782 4.94293 26.4246 7.44249 -14.8211 TIMING: 312600 CPU: 908.598, 0.00287111/step Wall: 908.598, 0.00287111/step, 3.73834 hours remaining, 203.765625 MB of memory in use. ENERGY: 312600 784.5589 2074.6128 2002.5947 113.6750 -205958.6858 17609.7896 0.0000 0.0000 34304.1868 -149069.2681 299.5870 -183373.4549 -148974.5632 299.0841 -193.9658 -164.4537 557190.1616 -7.3818 -7.2956 PRESSURE: 312800 104.322 43.3571 -86.6617 43.3571 -357.806 -37.0514 -86.6606 -37.0513 33.3737 GPRESSURE: 312800 124.365 -1.42069 -136.764 24.9737 -310.564 25.5344 -87.7484 -53.7787 65.3794 PRESSAVG: 312800 -44.7157 23.8852 -22.2787 23.8852 -6.06499 43.2914 -22.2787 43.2913 37.1074 GPRESSAVG: 312800 -45.5369 24.7833 -24.0848 22.8506 -5.2128 43.0258 -20.3661 43.4334 36.8777 TIMING: 312800 CPU: 909.173, 0.00287899/step Wall: 909.173, 0.00287899/step, 3.74845 hours remaining, 203.765625 MB of memory in use. ENERGY: 312800 759.4099 2143.5611 2004.1182 111.7363 -205977.2886 17689.3872 0.0000 0.0000 34059.1590 -149209.9168 297.4471 -183269.0758 -149118.0400 299.1635 -73.3701 -40.2733 557567.7970 -4.5578 -4.6240 PRESSURE: 313000 -48.6483 -40.05 36.535 -40.0492 -191.529 -216.446 36.5338 -216.446 104.982 GPRESSURE: 313000 -19.0389 -74.0093 -8.09442 -73.0225 -196.166 -258.861 117.698 -206.559 172.326 PRESSAVG: 313000 20.7022 -24.3119 -22.1433 -24.3119 8.41454 -59.8723 -22.1433 -59.8723 9.80707 GPRESSAVG: 313000 22.0266 -23.7599 -19.2357 -24.2638 7.98689 -58.3256 -22.0283 -60.9728 8.91458 TIMING: 313000 CPU: 909.75, 0.00288266/step Wall: 909.75, 0.00288266/step, 3.75306 hours remaining, 203.765625 MB of memory in use. ENERGY: 313000 735.7309 2135.3779 2011.1260 120.3465 -206342.1387 17685.8531 0.0000 0.0000 34396.7044 -149256.9999 300.3950 -183653.7043 -149161.5612 299.0885 -45.0652 -14.2930 555489.6716 12.9746 12.9760 PRESSURE: 313200 -92.15 98.8336 -94.9405 98.8333 -95.3978 3.58037 -94.9398 3.57853 -93.2944 GPRESSURE: 313200 -66.8781 114.345 -1.66501 52.8161 -78.2843 -9.59338 -174.454 95.7616 -37.0562 PRESSAVG: 313200 45.051 7.66282 -57.5671 7.66276 -39.7358 -18.064 -57.5671 -18.064 -6.23185 GPRESSAVG: 313200 43.4259 7.10383 -58.6048 6.17906 -38.8528 -19.7403 -56.4021 -17.6647 -6.08017 TIMING: 313200 CPU: 910.328, 0.0028911/step Wall: 910.328, 0.0028911/step, 3.76389 hours remaining, 203.765625 MB of memory in use. ENERGY: 313200 743.1373 2052.0748 1985.8711 106.0519 -206318.5129 17694.1473 0.0000 0.0000 34366.7698 -149370.4607 300.1335 -183737.2305 -149276.1788 299.3304 -93.6141 -60.7396 556715.0731 -0.3055 -0.5024 PRESSURE: 313400 -274.626 64.4972 131.69 64.4975 -72.8941 -19.5753 131.69 -19.5754 -92.4039 GPRESSURE: 313400 -292.491 99.2337 216.887 74.5791 -2.08567 44.1773 77.7402 -23.3995 -43.5032 PRESSAVG: 313400 10.0054 -28.3078 -10.9405 -28.3077 10.0026 -16.2906 -10.9404 -16.2906 -0.623935 GPRESSAVG: 313400 9.06214 -30.2549 -10.7419 -25.8937 10.6866 -14.9186 -12.3938 -17.054 -0.831634 TIMING: 313400 CPU: 910.913, 0.00292612/step Wall: 910.913, 0.00292612/step, 3.80932 hours remaining, 203.765625 MB of memory in use. ENERGY: 313400 725.1972 2027.8211 1985.2559 114.5526 -206651.4514 17866.9308 0.0000 0.0000 34396.7426 -149534.9512 300.3953 -183931.6938 -149434.7840 298.4983 -146.6413 -112.6933 556456.6269 6.4613 6.3057 PRESSURE: 313600 209.807 168.091 117.915 168.09 -103.141 -64.3601 117.915 -64.3595 56.9394 GPRESSURE: 313600 254.658 152.757 143.757 154.885 -74.9504 -35.6348 52.4427 -102.603 88.3541 PRESSAVG: 313600 26.264 52.9584 5.54171 52.9584 10.1742 -15.2506 5.54173 -15.2506 -18.7612 GPRESSAVG: 313600 27.0508 52.9411 5.17415 54.2446 9.0545 -14.9237 7.97837 -14.544 -18.002 TIMING: 313600 CPU: 911.502, 0.00294395/step Wall: 911.502, 0.00294395/step, 3.83236 hours remaining, 203.765625 MB of memory in use. ENERGY: 313600 729.2368 2051.3304 1970.4972 107.0759 -206511.2423 17923.6674 0.0000 0.0000 34056.0442 -149673.3904 297.4199 -183729.4346 -149579.1750 297.7780 54.5350 89.3540 555277.2644 5.8924 6.0345 PRESSURE: 313800 23.7694 -63.2802 144.78 -63.28 -90.2061 -112.887 144.779 -112.887 131.518 GPRESSURE: 313800 43.7201 -94.1686 185.926 6.16853 -37.7479 -156.07 115.174 -59.4007 171.365 PRESSAVG: 313800 18.3691 14.0509 -19.0315 14.0509 37.4645 -23.0412 -19.0316 -23.0413 -68.276 GPRESSAVG: 313800 19.9632 17.0561 -19.6971 10.7104 37.1283 -24.4332 -20.5692 -23.1282 -69.2151 TIMING: 313800 CPU: 912.078, 0.00288014/step Wall: 912.078, 0.00288014/step, 3.74915 hours remaining, 203.765625 MB of memory in use. ENERGY: 313800 750.8531 2030.0190 1969.1415 120.0332 -206301.4755 17814.3255 0.0000 0.0000 34083.7435 -149533.3597 297.6618 -183617.1032 -149432.4815 297.9964 21.6939 59.1125 556339.4225 -4.1475 -4.0412 PRESSURE: 314000 355.09 130.005 32.6347 130.006 169.497 -16.878 32.634 -16.8791 -80.0181 GPRESSURE: 314000 364.282 178.875 18.4634 147.456 168.71 29.317 -32.8482 -0.170607 13.984 PRESSAVG: 314000 24.6563 14.407 -0.412551 14.407 -24.7587 -0.639042 -0.412585 -0.639046 -18.7693 GPRESSAVG: 314000 24.2215 13.7331 -0.547584 16.7444 -24.5995 -0.570379 -1.72628 -1.83001 -18.0524 TIMING: 314000 CPU: 912.657, 0.00289631/step Wall: 912.657, 0.00289631/step, 3.77003 hours remaining, 203.765625 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: 314000 735.7091 2102.5108 1975.8157 136.3603 -206853.6411 18039.3262 0.0000 0.0000 34359.9523 -149503.9668 300.0740 -183863.9191 -149409.6999 298.4556 148.1897 182.3254 554750.4398 -6.2906 -6.1435 PRESSURE: 314200 -140.737 12.811 -157.625 12.8099 140.792 51.968 -157.626 51.9679 126.828 GPRESSURE: 314200 -87.5636 -53.459 -201.175 77.9555 186.169 60.769 -136.399 73.4913 120.928 PRESSAVG: 314200 37.7477 13.2601 -7.19871 13.2602 -3.88006 -17.6075 -7.19858 -17.6075 -4.75403 GPRESSAVG: 314200 37.3828 12.7515 -6.46316 13.7759 -3.55578 -16.8505 -5.61596 -16.3981 -5.50276 TIMING: 314200 CPU: 913.238, 0.00290372/step Wall: 913.238, 0.00290372/step, 3.77951 hours remaining, 203.765625 MB of memory in use. ENERGY: 314200 752.8624 2098.5371 1973.2711 115.2967 -206599.6286 17866.9895 0.0000 0.0000 34301.1699 -149491.5019 299.5606 -183792.6718 -149388.2050 298.5328 42.2943 73.1777 556709.0251 9.7045 9.4414 PRESSURE: 314400 300.987 207.86 101.065 207.859 160.53 -147.643 101.065 -147.642 327.404 GPRESSURE: 314400 300.134 209.132 88.4416 224.599 210.233 -111.593 89.8432 -206.252 377.875 PRESSAVG: 314400 58.6766 25.1792 -80.93 25.1792 17.8347 -48.8837 -80.93 -48.8836 1.1527 GPRESSAVG: 314400 57.3829 25.4991 -81.0664 24.8253 19.5692 -47.194 -81.8136 -50.4482 0.545902 TIMING: 314400 CPU: 913.821, 0.00291294/step Wall: 913.821, 0.00291294/step, 3.79135 hours remaining, 203.765625 MB of memory in use. ENERGY: 314400 721.1424 2056.5241 1978.5866 111.5184 -206772.1006 18136.4418 0.0000 0.0000 34290.8705 -149477.0168 299.4707 -183767.8873 -149390.7649 298.3581 262.9738 296.0809 555650.9791 25.8880 25.8327 PRESSURE: 314600 -74.7534 74.9121 17.2855 74.9133 210.545 -189.194 17.2859 -189.192 -72.2388 GPRESSURE: 314600 -52.3635 32.466 70.3565 30.2739 247.021 -110.171 -7.17108 -206.799 -25.3749 PRESSAVG: 314600 28.8121 -28.9943 -91.6419 -28.9943 -0.31234 -72.2471 -91.6421 -72.2471 -15.2159 GPRESSAVG: 314600 29.895 -30.1281 -90.6605 -29.1813 -1.23322 -72.2865 -91.2321 -71.223 -15.4565 TIMING: 314600 CPU: 914.4, 0.00289399/step Wall: 914.4, 0.00289399/step, 3.76653 hours remaining, 203.765625 MB of memory in use. ENERGY: 314600 731.9891 2133.3779 1973.6453 104.5647 -206574.9653 18017.9724 0.0000 0.0000 34079.0999 -149534.3161 297.6213 -183613.4159 -149447.5968 298.0367 21.1842 56.4275 556543.0614 4.4279 4.4018 PRESSURE: 314800 -167.79 -48.5565 95.3466 -48.5559 -61.4539 -36.7186 95.3458 -36.7197 -286.149 GPRESSURE: 314800 -141.6 33.2856 146.414 -33.395 -40.0679 13.3904 146.409 -24.7821 -230.603 PRESSAVG: 314800 -9.33115 10.1092 -19.8595 10.1092 50.4041 4.41429 -19.8595 4.41441 -37.0241 GPRESSAVG: 314800 -9.21008 8.12908 -19.7693 11.0303 49.8744 3.56907 -20.1071 5.44197 -37.0315 TIMING: 314800 CPU: 914.982, 0.00291493/step Wall: 914.982, 0.00291493/step, 3.79362 hours remaining, 203.765625 MB of memory in use. ENERGY: 314800 758.6369 2119.7590 1975.3946 114.1715 -206285.6986 17687.0593 0.0000 0.0000 34168.4642 -149462.2131 298.4017 -183630.6773 -149359.6646 298.4083 -171.7978 -137.4237 556695.0693 1.3496 1.2109 PRESSURE: 315000 55.2109 -25.8293 -95.589 -25.8297 56.3835 3.07519 -95.5886 3.07541 -83.611 GPRESSURE: 315000 31.2061 14.6183 -124.142 78.8906 104.433 1.68029 -22.4488 42.9165 -2.92091 PRESSAVG: 315000 -14.7222 -48.8727 -2.24893 -48.8726 22.5531 2.2532 -2.24889 2.25314 16.7557 GPRESSAVG: 315000 -13.7675 -48.3001 -1.97533 -49.0206 22.0125 1.96565 -2.05728 0.719707 16.1077 TIMING: 315000 CPU: 915.561, 0.00289167/step Wall: 915.561, 0.00289167/step, 3.76319 hours remaining, 203.765625 MB of memory in use. ENERGY: 315000 715.1144 2050.4053 1976.2102 112.4122 -206613.0203 17881.0028 0.0000 0.0000 34269.6392 -149608.2362 299.2853 -183877.8754 -149504.9251 298.6918 9.3278 44.2395 557602.5129 8.1955 8.1176 PRESSURE: 315200 91.8385 1.4056 46.2926 1.40583 -142.781 203.064 46.2921 203.062 300.811 GPRESSURE: 315200 136.589 34.4181 -45.0819 -21.887 -107.262 199.068 34.7463 186.109 318.837 PRESSAVG: 315200 -9.4306 -40.0832 37.3697 -40.0831 -75.867 -25.8832 37.3697 -25.8833 99.9714 GPRESSAVG: 315200 -10.2739 -36.8943 36.3511 -39.8532 -76.2614 -26.9184 37.9172 -25.6025 101.307 TIMING: 315200 CPU: 916.145, 0.00292237/step Wall: 916.145, 0.00292237/step, 3.80297 hours remaining, 203.765625 MB of memory in use. ENERGY: 315200 739.0249 2051.6441 1972.1010 104.3422 -206217.1916 17629.9944 0.0000 0.0000 34336.2226 -149383.8624 299.8668 -183720.0851 -149282.4201 298.7719 83.2894 116.0546 555280.5020 4.8913 4.9238 PRESSURE: 315400 44.3908 -178.527 121.45 -178.526 258.703 36.5136 121.45 36.5157 121.386 GPRESSURE: 315400 88.6873 -141.821 173.533 -199.884 335.819 69.8064 89.4991 24.4048 85.384 PRESSAVG: 315400 -13.2593 -29.8178 18.7799 -29.8179 -17.1531 15.1691 18.7799 15.169 65.5068 GPRESSAVG: 315400 -12.6908 -31.8474 18.8599 -29.2219 -17.2593 14.7964 17.1027 15.4659 64.8568 TIMING: 315400 CPU: 916.726, 0.00290548/step Wall: 916.726, 0.00290548/step, 3.78084 hours remaining, 203.765625 MB of memory in use. ENERGY: 315400 751.0609 2089.7740 1971.8481 111.0444 -206449.2646 17843.7354 0.0000 0.0000 34329.9162 -149351.8856 299.8117 -183681.8018 -149259.7288 298.3336 141.4933 169.9633 555626.4251 11.6982 11.6355 PRESSURE: 315600 -260.419 -131.259 -96.2238 -131.259 -191.334 85.5746 -96.2242 85.5749 -17.4032 GPRESSURE: 315600 -235.758 -66.0339 -28.0555 -121.751 -140.252 59.2557 -175.11 64.6365 2.72316 PRESSAVG: 315600 -6.99613 1.32525 -7.16955 1.32521 -29.0779 -0.987178 -7.16961 -0.987143 -2.28765 GPRESSAVG: 315600 -8.17884 2.77876 -4.56893 -0.28202 -27.7456 -1.28306 -7.77176 -1.16076 -2.30267 TIMING: 315600 CPU: 917.308, 0.00290664/step Wall: 917.308, 0.00290664/step, 3.78219 hours remaining, 203.765625 MB of memory in use. ENERGY: 315600 744.3560 2125.9560 1965.7898 111.1719 -206261.6967 17560.7231 0.0000 0.0000 34238.6416 -149515.0584 299.0146 -183753.7000 -149430.2348 298.8981 -156.3855 -124.4291 556899.6736 -12.7872 -12.7424 PRESSURE: 315800 364.692 37.5219 -134.857 37.5219 239.817 -173.948 -134.858 -173.95 16.4218 GPRESSURE: 315800 376.1 -24.0942 -112.831 62.6815 331.832 -202.048 -104.16 -110.554 2.91246 PRESSAVG: 315800 45.0668 -28.1736 -40.7144 -28.1736 21.7539 -56.4426 -40.7143 -56.4425 -38.1539 GPRESSAVG: 315800 45.6068 -26.2664 -44.9122 -28.1462 21.2901 -56.7964 -39.2701 -56.2042 -38.1669 TIMING: 315800 CPU: 917.885, 0.00288554/step Wall: 917.885, 0.00288554/step, 3.75457 hours remaining, 203.765625 MB of memory in use. ENERGY: 315800 740.0595 2104.8808 1983.7341 127.1198 -206707.2104 18163.3179 0.0000 0.0000 34118.0093 -149470.0890 297.9611 -183588.0983 -149377.0876 298.0827 206.9770 236.9483 555442.6395 9.5556 9.5767 PRESSURE: 316000 -40.0994 -35.1434 29.4731 -35.1444 154.051 56.8547 29.4737 56.8563 -92.6844 GPRESSURE: 316000 -33.0443 -50.9797 62.5448 -79.1605 170.416 29.2508 46.0133 106.54 -16.753 PRESSAVG: 316000 4.23037 -7.41703 -56.383 -7.41698 -16.1026 -22.5794 -56.3831 -22.5794 13.0768 GPRESSAVG: 316000 4.04317 -9.85117 -53.5035 -8.80489 -15.5972 -20.5149 -56.7786 -23.266 13.0831 TIMING: 316000 CPU: 918.468, 0.00291521/step Wall: 918.468, 0.00291521/step, 3.79301 hours remaining, 203.765625 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: 316000 756.6564 2055.8173 1970.3512 115.0392 -206678.9292 17956.8984 0.0000 0.0000 34275.8546 -149548.3120 299.3396 -183824.1666 -149449.8836 298.4268 7.0891 40.2064 557027.7153 0.4015 0.5097 PRESSURE: 316200 -262.989 73.1377 111.149 73.1365 -406.338 -64.4503 111.149 -64.4519 -132.402 GPRESSURE: 316200 -246.843 56.3811 150.34 163.67 -369.304 -68.4083 88.8304 -82.7052 -99.1867 PRESSAVG: 316200 -6.10245 -17.537 6.57864 -17.5368 8.63289 -5.58885 6.57865 -5.5888 -17.4763 GPRESSAVG: 316200 -4.99233 -14.3754 7.77032 -15.1339 7.28804 -6.79553 5.79924 -4.22386 -17.6119 TIMING: 316200 CPU: 919.052, 0.00292/step Wall: 919.052, 0.00292/step, 3.79908 hours remaining, 203.765625 MB of memory in use. ENERGY: 316200 795.5929 2078.1678 1974.0095 113.0457 -206040.9136 17449.5487 0.0000 0.0000 34282.4467 -149348.1023 299.3971 -183630.5490 -149252.2605 298.6043 -267.2430 -238.4446 558292.7562 -4.9820 -5.1054 LDB: ============= START OF LOAD BALANCING ============== 922.519 LDB: ============== END OF LOAD BALANCING =============== 922.519 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 922.521 LDB: ============= START OF LOAD BALANCING ============== 922.81 LDB: Largest compute 4820 load 0.027812 is 23.7% of average load 0.117491 LDB: Average compute 0.001741 is 1.5% of average load 0.117491 LDB: TIME 922.812 LOAD: AVG 0.117491 MAX 0.177081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 922.813 LOAD: AVG 0.117491 MAX 0.177081 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.688 MB LDB: TIME 922.813 LOAD: AVG 0.117491 MAX 0.177081 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 922.814 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 922.818 PRESSURE: 316400 -5.66753 -184.971 -137.58 -184.971 259.911 26.552 -137.579 26.553 234.224 GPRESSURE: 316400 12.0713 -288.072 -161.894 -75.1522 284.601 -63.0514 -125.759 77.6744 278.354 PRESSAVG: 316400 -34.3374 -25.5137 -10.7023 -25.5136 20.6821 -14.9246 -10.7023 -14.9247 31.0166 GPRESSAVG: 316400 -35.1148 -26.4243 -11.4245 -25.8291 20.7757 -15.6338 -12.2381 -14.9039 31.0371 TIMING: 316400 CPU: 919.643, 0.00295655/step Wall: 919.643, 0.00295655/step, 3.84647 hours remaining, 202.660156 MB of memory in use. ENERGY: 316400 754.6352 2190.4804 1981.5038 112.5079 -206804.7673 18317.7258 0.0000 0.0000 34212.1747 -149235.7396 298.7834 -183447.9142 -149138.2185 298.9936 162.8228 191.6755 557424.1439 5.7871 5.5660 PRESSURE: 316600 -225.439 20.675 -88.8004 20.6754 31.1012 -41.5404 -88.8 -41.5401 128.736 GPRESSURE: 316600 -201.086 -42.5719 -87.7471 69.1627 68.3683 -24.8163 -75.8756 16.3166 170.641 PRESSAVG: 316600 -24.5737 33.3889 -6.79793 33.3889 -48.5723 25.4507 -6.79792 25.4509 49.7068 GPRESSAVG: 316600 -24.8269 30.9757 -7.52913 32.7473 -47.2247 25.9123 -3.98833 24.958 48.9063 TIMING: 316600 CPU: 920.217, 0.00286968/step Wall: 920.217, 0.00286968/step, 3.7333 hours remaining, 202.660156 MB of memory in use. ENERGY: 316600 766.7518 2114.5054 1972.5236 111.2585 -206104.1139 17868.8072 0.0000 0.0000 34273.9299 -148996.3375 299.3228 -183270.2674 -148904.1412 298.9593 -21.8674 12.6411 558191.2355 -7.8131 -7.7151 PRESSURE: 316800 -138.327 145.15 -49.2883 145.148 66.3484 37.7735 -49.2871 37.775 246.778 GPRESSURE: 316800 -100.395 178.147 -33.5676 154.836 105.839 14.1605 6.18395 30.6107 259.764 PRESSAVG: 316800 -97.3302 4.09468 43.0317 4.09464 -30.2723 14.7736 43.0318 14.7735 113.848 GPRESSAVG: 316800 -97.7575 5.42344 42.9287 3.85156 -30.891 14.8436 42.7936 14.8588 114.838 TIMING: 316800 CPU: 920.8, 0.00291445/step Wall: 920.8, 0.00291445/step, 3.79137 hours remaining, 202.660156 MB of memory in use. ENERGY: 316800 749.2423 2122.2056 1982.4393 123.5282 -206044.4304 17645.7845 0.0000 0.0000 34359.8141 -149061.4164 300.0728 -183421.2305 -148968.2252 299.2730 58.2664 88.4026 559297.9588 -4.5850 -4.6036 PRESSURE: 317000 -181.286 -58.681 -140.048 -58.6803 -43.2741 40.5671 -140.049 40.5662 -47.4887 GPRESSURE: 317000 -131.694 -102.579 -119.831 -53.7768 -33.6309 25.7628 -63.7625 36.6968 0.0633596 PRESSAVG: 317000 -36.0486 6.32282 21.3997 6.32289 -39.0572 68.9415 21.3997 68.9415 70.1452 GPRESSAVG: 317000 -35.3263 5.46081 22.3829 8.44179 -39.1722 68.0731 20.6043 68.4601 69.2313 TIMING: 317000 CPU: 921.379, 0.0028967/step Wall: 921.379, 0.0028967/step, 3.76812 hours remaining, 202.660156 MB of memory in use. ENERGY: 317000 737.3857 2020.9953 1961.0560 103.4482 -205789.5321 17511.0885 0.0000 0.0000 34495.1594 -148960.3989 301.2548 -183455.5584 -148865.0223 299.5158 -90.6831 -55.0871 558869.1371 -1.6535 -1.7557 PRESSURE: 317200 17.925 -23.076 174.419 -23.0757 -126.009 44.907 174.418 44.906 -24.7902 GPRESSURE: 317200 75.3768 -17.8198 249.005 -63.8849 -88.4235 58.5935 114.548 -32.3383 -9.69957 PRESSAVG: 317200 -6.65434 11.2169 -25.4333 11.217 -11.426 1.41149 -25.4333 1.41148 27.1726 GPRESSAVG: 317200 -7.08871 11.6448 -25.0105 8.30723 -11.0645 3.24251 -27.1845 1.19558 26.7012 TIMING: 317200 CPU: 921.96, 0.00290455/step Wall: 921.96, 0.00290455/step, 3.77818 hours remaining, 202.660156 MB of memory in use. ENERGY: 317200 767.3255 2111.4897 2002.6416 109.7244 -206188.7901 17853.3217 0.0000 0.0000 34450.6891 -148893.5980 300.8664 -183344.2872 -148799.7359 299.7172 -44.2914 -7.5821 558575.8739 3.0308 2.8493 PRESSURE: 317400 -122.411 95.567 197.55 95.5672 119.201 -16.6208 197.551 -16.6226 200.06 GPRESSURE: 317400 -143.466 50.8342 129.566 94.3952 193.58 12.1453 153.5 33.408 239.92 PRESSAVG: 317400 11.8886 49.8017 38.8487 49.8016 -29.5196 -32.8993 38.8488 -32.8994 9.35449 GPRESSAVG: 317400 11.4652 51.1517 38.9382 50.1851 -29.9901 -32.7842 40.0563 -34.2756 10.1318 TIMING: 317400 CPU: 922.538, 0.00288676/step Wall: 922.538, 0.00288676/step, 3.75487 hours remaining, 202.660156 MB of memory in use. ENERGY: 317400 715.6280 2123.4003 1961.5080 123.5008 -206205.9794 17882.3005 0.0000 0.0000 34371.5610 -149028.0808 300.1754 -183399.6418 -148940.9978 299.7545 65.6171 96.6782 557024.7056 -2.7588 -2.7977 PRESSURE: 317600 211.997 -50.7166 42.6994 -50.717 -42.5715 -60.5506 42.6991 -60.5498 -83.2896 GPRESSURE: 317600 257.427 -75.2268 -26.3558 -107.626 15.6387 -88.3496 81.8519 -45.0596 -77.5821 PRESSAVG: 317600 -37.1855 20.8901 -8.95506 20.89 37.8904 22.6287 -8.95508 22.6286 -16.4737 GPRESSAVG: 317600 -36.22 20.2567 -9.53991 22.2576 37.9554 21.0953 -9.60033 24.0982 -17.5549 TIMING: 317600 CPU: 923.115, 0.0028872/step Wall: 923.115, 0.0028872/step, 3.75528 hours remaining, 202.660156 MB of memory in use. ENERGY: 317600 737.4105 2040.5321 1996.8077 99.4664 -205999.1615 17711.3452 0.0000 0.0000 34478.6739 -148934.9257 301.1108 -183413.5996 -148839.0955 299.6074 28.7119 65.1613 557802.1645 -5.2563 -5.2732 PRESSURE: 317800 -102.031 7.05684 28.7547 7.05731 -198.318 24.3844 28.7541 24.3864 2.1294 GPRESSURE: 317800 -80.2933 -67.0479 -92.8955 0.430257 -130.106 11.0597 -22.2856 56.9521 20.5775 PRESSAVG: 317800 16.4457 3.88544 -21.0686 3.88552 20.3475 30.647 -21.0686 30.647 -5.30007 GPRESSAVG: 317800 14.8157 6.84068 -21.2871 0.825003 18.9012 31.9837 -21.0826 30.4895 -2.45158 TIMING: 317800 CPU: 923.693, 0.00289033/step Wall: 923.693, 0.00289033/step, 3.75919 hours remaining, 202.660156 MB of memory in use. ENERGY: 317800 759.1700 2126.9521 1944.9712 124.3694 -205846.0504 17617.8531 0.0000 0.0000 34342.5212 -148930.2134 299.9218 -183272.7346 -148831.2747 300.0476 -99.4066 -63.2739 557637.5037 10.4977 10.4218 PRESSURE: 318000 20.3041 -16.2903 150.637 -16.2896 -33.392 68.3278 150.637 68.3293 -10.9467 GPRESSURE: 318000 68.351 -40.5345 158.956 87.2424 -32.2339 155.995 117.546 -64.5987 38.8116 PRESSAVG: 318000 -18.3263 15.2459 -36.0893 15.246 7.66881 9.25183 -36.0893 9.25187 -14.908 GPRESSAVG: 318000 -16.7476 12.0489 -37.0928 15.9392 6.94795 9.20874 -35.1926 7.93523 -16.1284 TIMING: 318000 CPU: 924.275, 0.00291143/step Wall: 924.275, 0.00291143/step, 3.78647 hours remaining, 202.804688 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: 318000 736.8096 2102.9759 1989.5091 106.0559 -205988.0370 17838.7491 0.0000 0.0000 34383.2820 -148830.6553 300.2778 -183213.9373 -148733.1511 299.8071 -8.0115 24.9762 558844.2861 -8.5218 -8.6427 PRESSURE: 318200 209.614 86.366 -231.71 86.3661 352.035 66.3599 -231.709 66.3608 -126.476 GPRESSURE: 318200 261.697 89.9013 -152.22 104.323 395.666 53.7043 -197.199 64.4238 -120.165 PRESSAVG: 318200 20.7703 -7.80455 -8.57832 -7.80459 -27.9373 39.9927 -8.57832 39.9925 1.38688 GPRESSAVG: 318200 20.9152 -8.0009 -5.89022 -6.76888 -27.2823 37.8793 -10.6822 41.9271 0.63591 TIMING: 318200 CPU: 924.857, 0.00290667/step Wall: 924.857, 0.00290667/step, 3.78013 hours remaining, 202.804688 MB of memory in use. ENERGY: 318200 761.9435 2067.8087 1991.8179 113.8660 -206580.1325 18167.4312 0.0000 0.0000 34488.7400 -148988.5251 301.1987 -183477.2652 -148904.1375 300.4723 145.0575 179.0663 557760.1204 -1.9267 -1.9104 PRESSURE: 318400 -31.486 23.884 44.0515 23.8836 -48.0214 37.2263 44.0518 37.227 -80.9776 GPRESSURE: 318400 23.6787 16.8482 13.1639 61.2365 -65.3664 -1.35541 84.7235 142.483 -26.095 PRESSAVG: 318400 -6.53736 27.2824 -73.4812 27.2824 -27.9879 18.0996 -73.4811 18.0995 -43.6552 GPRESSAVG: 318400 -7.18994 28.9769 -74.782 28.0594 -28.7772 18.8473 -70.7398 16.3321 -42.8933 TIMING: 318400 CPU: 925.443, 0.00292889/step Wall: 925.443, 0.00292889/step, 3.80886 hours remaining, 202.804688 MB of memory in use. ENERGY: 318400 760.6606 2099.8889 1967.5484 116.4434 -205971.9627 17779.7478 0.0000 0.0000 34263.6583 -148984.0152 299.2331 -183247.6735 -148882.5628 300.9947 -53.4950 -22.5942 558034.8407 -26.0602 -26.2868 PRESSURE: 318600 127.561 33.7177 -36.6726 33.7183 -61.8688 -27.8517 -36.6718 -27.8527 -158.939 GPRESSURE: 318600 168.786 63.7709 -22.422 0.817655 -81.013 27.5592 -70.6512 -37.6029 -92.3509 PRESSAVG: 318600 -21.6035 41.6673 -64.7044 41.6673 21.2481 19.3757 -64.7044 19.3757 -5.19651 GPRESSAVG: 318600 -21.2981 43.9 -65.3314 39.1991 22.2457 19.9228 -66.0455 20.0472 -6.33698 TIMING: 318600 CPU: 926.03, 0.00293696/step Wall: 926.03, 0.00293696/step, 3.81918 hours remaining, 202.804688 MB of memory in use. ENERGY: 318600 731.6205 2078.7975 1970.2245 119.0620 -205908.1375 17733.4524 0.0000 0.0000 34486.3085 -148788.6720 301.1775 -183274.9805 -148690.3815 300.6325 -31.0822 -1.5260 558282.1002 -1.8506 -1.7965 PRESSURE: 318800 30.714 85.8212 -15.8005 85.8214 -235.588 51.8997 -15.7997 51.8997 68.6675 GPRESSURE: 318800 85.5371 106.746 -35.3445 135.161 -181 95.709 -47.1951 12.6123 57.0669 PRESSAVG: 318800 18.7114 3.16556 -4.09912 3.16548 0.00601233 48.9357 -4.09917 48.9356 -44.8869 GPRESSAVG: 318800 19.0936 -0.352866 -4.93171 5.45686 -0.158031 47.9126 -4.71016 49.7756 -45.666 TIMING: 318800 CPU: 926.607, 0.00288765/step Wall: 926.607, 0.00288765/step, 3.7549 hours remaining, 202.804688 MB of memory in use. ENERGY: 318800 739.3036 2160.6135 1976.5480 119.2163 -205707.4049 17567.8071 0.0000 0.0000 34529.8133 -148614.1031 301.5574 -183143.9164 -148510.7224 301.0539 -45.4023 -12.7987 558194.8734 -8.7232 -8.9101 PRESSURE: 319000 -274.772 -85.9048 -234.287 -85.9045 49.9766 195.315 -234.289 195.315 -57.6288 GPRESSURE: 319000 -180.214 -68.5279 -188.513 -107.236 60.8756 217.39 -304.021 73.7844 -69.6508 PRESSAVG: 319000 -19.2175 -22.8689 -13.8174 -22.8689 -1.86833 5.8216 -13.8174 5.82166 23.0381 GPRESSAVG: 319000 -19.6408 -22.7068 -14.5778 -23.0168 -2.43355 7.82368 -13.1925 6.79103 23.9877 TIMING: 319000 CPU: 927.19, 0.00291207/step Wall: 927.19, 0.00291207/step, 3.7865 hours remaining, 202.804688 MB of memory in use. ENERGY: 319000 774.0432 2116.3968 1975.6810 113.1307 -205874.0022 17770.4730 0.0000 0.0000 34402.7470 -148721.5306 300.4477 -183124.2776 -148622.5758 301.3178 -94.1415 -62.9965 558998.2545 0.6508 0.6378 PRESSURE: 319200 157.383 2.75707 15.2746 2.7565 147.227 -124.548 15.2745 -124.546 -22.1692 GPRESSURE: 319200 242.58 79.3939 81.6625 -19.842 131.091 -146.723 21.7779 -131.533 -5.13605 PRESSAVG: 319200 -26.8436 -24.7486 -0.58526 -24.7485 65.4835 -24.8485 -0.585261 -24.8484 -18.8042 GPRESSAVG: 319200 -27.2539 -24.6119 0.417785 -23.3948 65.1718 -25.0203 1.62146 -26.7018 -17.9 TIMING: 319200 CPU: 927.767, 0.00288621/step Wall: 927.767, 0.00288621/step, 3.75271 hours remaining, 202.804688 MB of memory in use. ENERGY: 319200 764.7355 2100.2903 1987.7400 102.0571 -206285.7598 18112.6105 0.0000 0.0000 34522.3177 -148696.0087 301.4920 -183218.3263 -148604.4654 300.2296 94.1468 122.8449 558598.4611 6.6119 6.6726 PRESSURE: 319400 100.431 20.4474 43.9239 20.4483 181.521 139.158 43.9243 139.156 26.8227 GPRESSURE: 319400 21.9477 51.3185 82.8336 153.933 268.757 119.93 6.6494 125.879 124.757 PRESSAVG: 319400 -17.738 -21.0654 38.181 -21.0655 4.05673 5.28589 38.1809 5.28574 -11.5138 GPRESSAVG: 319400 -18.0231 -20.9987 37.2698 -21.0151 3.86882 3.54602 34.7467 7.13666 -11.0157 TIMING: 319400 CPU: 928.349, 0.00291098/step Wall: 928.349, 0.00291098/step, 3.78475 hours remaining, 202.804688 MB of memory in use. ENERGY: 319400 764.2655 2036.1401 1987.4785 111.5665 -206524.1219 18193.8663 0.0000 0.0000 34578.7727 -148852.0323 301.9850 -183430.8050 -148753.5836 300.7284 102.9250 138.4872 558103.1669 -8.3983 -8.3900 PRESSURE: 319600 -32.216 49.0365 60.0967 49.0364 -123.297 -26.6364 60.0963 -26.6364 401.437 GPRESSURE: 319600 -28.6517 -21.3069 -40.0959 -19.4609 -94.6877 -10.1789 183.904 -43.8075 472.559 PRESSAVG: 319600 -29.6045 30.9462 -11.1601 30.9461 -4.23176 -13.1219 -11.16 -13.1218 37.5731 GPRESSAVG: 319600 -29.3402 29.5538 -11.0293 29.5024 -3.1136 -13.1626 -9.97848 -13.7387 36.4368 TIMING: 319600 CPU: 928.928, 0.0028946/step Wall: 928.928, 0.0028946/step, 3.7633 hours remaining, 202.804688 MB of memory in use. ENERGY: 319600 737.3337 2160.1389 1960.0444 113.7996 -205936.2908 17988.0954 0.0000 0.0000 34234.0252 -148742.8537 298.9743 -182976.8789 -148646.7768 300.5345 81.9748 116.4066 559371.8406 1.2456 1.3277 PRESSURE: 319800 -41.0377 -15.5639 58.6712 -15.5634 88.5046 47.5546 58.6725 47.5561 67.4743 GPRESSURE: 319800 -21.2156 -35.893 45.6052 46.2903 115.802 25.3263 -3.69275 51.9547 115.942 PRESSAVG: 319800 -26.02 -5.68026 -24.2844 -5.68024 -18.8368 36.9436 -24.2844 36.9436 39.482 GPRESSAVG: 319800 -24.6667 -5.12578 -24.3746 -6.51648 -19.7535 38.6978 -25.7743 36.344 39.2078 TIMING: 319800 CPU: 929.508, 0.00289742/step Wall: 929.508, 0.00289742/step, 3.76681 hours remaining, 202.804688 MB of memory in use. ENERGY: 319800 776.6930 2117.9628 1966.1874 120.2195 -205621.3388 17740.9936 0.0000 0.0000 34350.0916 -148549.1908 299.9879 -182899.2824 -148456.0807 300.3804 38.3137 70.1761 558039.0400 -1.7916 -1.7375 PRESSURE: 320000 284.596 31.7578 -13.8549 31.759 -75.8886 -63.0236 -13.8549 -63.0214 -240.168 GPRESSURE: 320000 234.753 99.5915 -2.15513 42.5627 -25.7124 -33.4056 -56.7092 -37.5085 -134.457 PRESSAVG: 320000 22.6135 -1.26316 -18.7922 -1.2632 -9.15824 -22.4092 -18.7922 -22.4092 1.3171 GPRESSAVG: 320000 20.856 -0.812618 -19.1798 -1.47374 -9.247 -22.8588 -19.6196 -20.716 2.5412 TIMING: 320000 CPU: 930.088, 0.00290053/step Wall: 930.088, 0.00290053/step, 3.77069 hours remaining, 202.804688 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: 320000 761.9952 2121.9079 2002.2621 120.4736 -205364.5813 17829.9829 0.0000 0.0000 34139.9036 -148388.0560 298.1523 -182527.9595 -148298.3374 300.7549 -10.4870 24.8611 559591.0091 4.9241 4.7167 PRESSURE: 320200 10.7427 24.027 -36.1397 24.0266 -70.5144 143.269 -36.1392 143.268 -294.706 GPRESSURE: 320200 8.37401 125.37 5.16487 -51.4998 -31.6611 124.929 -43.5319 59.5941 -225.468 PRESSAVG: 320200 -23.5426 31.6371 -47.4172 31.6372 42.0484 9.36417 -47.4172 9.36419 -30.9823 GPRESSAVG: 320200 -22.9576 31.4743 -47.3673 33.2717 42.5973 10.5528 -44.3366 6.09528 -32.557 TIMING: 320200 CPU: 930.666, 0.00289102/step Wall: 930.666, 0.00289102/step, 3.75817 hours remaining, 202.804688 MB of memory in use. ENERGY: 320200 730.1523 2093.0417 1961.4636 105.5542 -205586.1954 17622.8737 0.0000 0.0000 34436.5968 -148636.5132 300.7434 -183073.1100 -148538.1865 300.7223 -118.1593 -82.9183 558699.0923 -4.1588 -4.3058 LDB: ============= START OF LOAD BALANCING ============== 934.129 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 934.129 LDB: =============== DONE WITH MIGRATION ================ 934.13 LDB: ============= START OF LOAD BALANCING ============== 934.419 LDB: Largest compute 4820 load 0.028865 is 24.6% of average load 0.117525 LDB: Average compute 0.001739 is 1.5% of average load 0.117525 LDB: TIME 934.422 LOAD: AVG 0.117525 MAX 0.178291 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.121 MB LDB: TIME 934.422 LOAD: AVG 0.117525 MAX 0.178291 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.152 MB LDB: TIME 934.422 LOAD: AVG 0.117525 MAX 0.178291 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.152 MB LDB: ============== END OF LOAD BALANCING =============== 934.424 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 934.428 PRESSURE: 320400 9.70722 -15.5158 115.047 -15.5167 142.036 -130.154 115.047 -130.156 -88.5114 GPRESSURE: 320400 46.0059 -44.0703 109.384 26.6921 166.044 -39.909 100.179 -205.056 -49.8456 PRESSAVG: 320400 -78.2074 -31.585 -6.23472 -31.585 13.9694 19.818 -6.23482 19.818 51.0523 GPRESSAVG: 320400 -78.5521 -29.4167 -4.12931 -33.6759 14.3002 19.056 -7.83538 21.7189 51.9972 TIMING: 320400 CPU: 931.253, 0.00293464/step Wall: 931.253, 0.00293464/step, 3.81471 hours remaining, 203.125000 MB of memory in use. ENERGY: 320400 723.6365 2110.5050 1951.6808 118.2845 -205801.5223 17793.2997 0.0000 0.0000 34366.8771 -148737.2387 300.1345 -183104.1158 -148644.9753 301.1532 21.0772 54.0681 559188.2905 -4.3952 -4.0849 PRESSURE: 320600 119.857 -31.432 167.722 -31.4319 -302.958 248.372 167.723 248.372 55.2273 GPRESSURE: 320600 206.972 36.2048 108.289 -156.742 -349.979 245.597 142.382 220.236 121.614 PRESSAVG: 320600 -20.6852 35.7344 32.9492 35.7343 -20.3122 24.6772 32.9492 24.6771 23.4336 GPRESSAVG: 320600 -20.3 36.2393 32.2906 35.8314 -20.6885 24.7794 32.4379 25.3352 23.8812 TIMING: 320600 CPU: 931.832, 0.0028966/step Wall: 931.832, 0.0028966/step, 3.7651 hours remaining, 203.328125 MB of memory in use. ENERGY: 320600 716.0870 2100.7574 1996.9184 120.5161 -205580.0228 17582.8261 0.0000 0.0000 34175.0428 -148887.8750 298.4591 -183062.9178 -148792.9532 299.9839 -42.6247 -7.1308 558308.9752 -5.8546 -5.7024 PRESSURE: 320800 -191.697 95.7612 220.585 95.7626 -141.802 -18.2019 220.586 -18.2012 -120.025 GPRESSURE: 320800 -176.46 87.5962 177.273 63.3976 -108.882 -38.7321 209.974 66.5038 -69.0022 PRESSAVG: 320800 10.9038 -41.4414 37.6221 -41.4414 -20.9517 78.0431 37.6222 78.0432 31.4722 GPRESSAVG: 320800 10.8688 -43.5996 37.3105 -41.4745 -20.6478 79.7235 37.5586 76.0065 30.9772 TIMING: 320800 CPU: 932.408, 0.00287784/step Wall: 932.408, 0.00287784/step, 3.74055 hours remaining, 203.386719 MB of memory in use. ENERGY: 320800 762.7011 2093.4652 1967.8504 116.6337 -206002.8076 17652.8417 0.0000 0.0000 34464.4146 -148944.9008 300.9863 -183409.3154 -148853.5374 300.0774 -151.1746 -118.1149 558570.0692 7.1415 7.0660 PRESSURE: 321000 -167.802 30.056 -73.7144 30.0565 35.3468 -45.9348 -73.713 -45.9349 47.0649 GPRESSURE: 321000 -135.028 -15.7128 -141.674 -31.9133 65.7549 -6.93133 13.6022 -51.8066 90.9923 PRESSAVG: 321000 -22.0034 -8.55213 82.0006 -8.55218 53.7655 -55.4566 82.0006 -55.4567 27.1379 GPRESSAVG: 321000 -22.6514 -6.92224 80.7664 -7.89821 54.1462 -55.538 81.6827 -54.8234 27.0766 TIMING: 321000 CPU: 932.983, 0.00287827/step Wall: 932.983, 0.00287827/step, 3.74095 hours remaining, 203.386719 MB of memory in use. ENERGY: 321000 779.9869 2040.3924 1963.0771 116.6633 -206159.3839 17913.8139 0.0000 0.0000 34532.8859 -148812.5644 301.5843 -183345.4504 -148715.9684 300.4642 -28.4634 7.2396 558429.7569 19.6333 19.5238 PRESSURE: 321200 -138.998 -215.342 63.7293 -215.342 -10.8069 -101.196 63.7281 -101.197 -148.802 GPRESSURE: 321200 -134.752 -156.597 98.0272 -262.365 63.6551 -176.189 58.8095 -44.361 -129.744 PRESSAVG: 321200 -11.2412 -59.651 -66.7135 -59.651 -4.77767 -18.7896 -66.7136 -18.7897 -16.4258 GPRESSAVG: 321200 -11.1214 -58.6597 -63.4365 -59.1789 -5.81435 -20.093 -65.4571 -18.0879 -15.5496 TIMING: 321200 CPU: 933.56, 0.00288379/step Wall: 933.56, 0.00288379/step, 3.74796 hours remaining, 203.386719 MB of memory in use. ENERGY: 321200 759.9483 2086.4147 1966.0719 108.6812 -206233.7985 17808.8797 0.0000 0.0000 34435.8168 -149067.9860 300.7366 -183503.8028 -148974.9937 299.4081 -99.5358 -66.9469 558370.6589 -10.8149 -10.8284 PRESSURE: 321400 217.196 -62.5523 46.8708 -62.5524 63.7741 -58.7685 46.8704 -58.7677 0.772164 GPRESSURE: 321400 244.029 -24.491 80.1478 -71.5313 75.9631 -49.2526 89.9499 -0.332143 59.9553 PRESSAVG: 321400 4.9159 -15.6142 -5.00752 -15.6141 16.2375 -51.9845 -5.00769 -51.9845 -3.00327 GPRESSAVG: 321400 5.40516 -17.761 -4.83385 -13.9065 17.5305 -53.884 -5.64324 -50.8752 -4.68759 TIMING: 321400 CPU: 934.138, 0.00288812/step Wall: 934.138, 0.00288812/step, 3.75344 hours remaining, 203.386719 MB of memory in use. ENERGY: 321400 765.9530 2107.0979 1979.8713 111.2864 -206303.6188 18083.2121 0.0000 0.0000 34320.3374 -148935.8606 299.7280 -183256.1981 -148843.8022 299.9909 93.9140 126.6490 557801.2591 6.0500 6.0827 PRESSURE: 321600 -129.545 90.3383 28.1511 90.338 -329.972 50.1831 28.1494 50.1838 -6.79521 GPRESSURE: 321600 -59.911 82.3699 -23.8003 100.604 -371.223 -42.9622 58.1298 99.5137 62.8196 PRESSAVG: 321600 74.1476 23.3981 36.7837 23.3981 -57.2184 37.2906 36.7836 37.2906 -19.9858 GPRESSAVG: 321600 74.3845 22.856 33.7945 21.2271 -57.332 37.6429 37.736 36.7309 -19.1951 TIMING: 321600 CPU: 934.714, 0.00288066/step Wall: 934.714, 0.00288066/step, 3.74358 hours remaining, 203.386719 MB of memory in use. ENERGY: 321600 785.7516 2160.7897 1982.0555 110.6073 -205892.4132 17581.9102 0.0000 0.0000 34183.9457 -149087.3532 298.5369 -183271.2989 -148987.4879 299.9937 -155.4376 -122.7716 559361.5455 -1.0188 -0.7142 PRESSURE: 321800 102.413 0.256637 164.142 0.257384 37.2163 178.395 164.142 178.395 -107.376 GPRESSURE: 321800 128.84 102.067 167.487 -87.3954 67.77 174.621 87.7593 153.813 -62.1308 PRESSAVG: 321800 102.068 -1.60068 -9.29696 -1.60079 -48.0265 59.9976 -9.29698 59.9976 -56.4512 GPRESSAVG: 321800 101.677 0.877124 -9.41927 -0.89977 -48.5353 60.8159 -8.788 58.6048 -55.5269 TIMING: 321800 CPU: 935.291, 0.00288491/step Wall: 935.291, 0.00288491/step, 3.74893 hours remaining, 203.386719 MB of memory in use. ENERGY: 321800 762.1753 2130.3441 1972.2377 102.7583 -206226.0701 17820.1489 0.0000 0.0000 34361.1536 -149077.2522 300.0845 -183438.4058 -148982.0857 300.0082 10.7511 44.8264 557964.2461 -0.8033 -0.7952 PRESSURE: 322000 -369.686 -15.7747 56.1068 -15.7758 -86.4988 22.5173 56.106 22.5168 -214.791 GPRESSURE: 322000 -330.251 -42.1157 67.9432 -106.535 -66.9407 -21.0602 78.5993 113.828 -170.562 PRESSAVG: 322000 28.3376 23.346 30.7512 23.3459 53.2221 56.9956 30.7512 56.9957 -69.6153 GPRESSAVG: 322000 29.32 21.1005 32.5584 22.2814 52.7689 56.4281 28.9046 59.2124 -70.4742 TIMING: 322000 CPU: 935.866, 0.00287419/step Wall: 935.866, 0.00287419/step, 3.73485 hours remaining, 203.386719 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: 322000 789.1499 2115.2348 1958.1858 98.1856 -206116.7557 17694.4613 0.0000 0.0000 34356.3907 -149105.1475 300.0429 -183461.5382 -149003.4853 299.8358 -223.6587 -189.2512 558651.4162 3.9815 3.8716 PRESSURE: 322200 -149.111 -16.4941 -71.0639 -16.4933 -402.504 38.9641 -71.0645 38.9628 -213.518 GPRESSURE: 322200 -126.264 -23.7341 -64.152 30.7844 -378.726 -23.4013 -34.951 120.95 -184.213 PRESSAVG: 322200 3.69246 77.4409 36.7168 77.4409 -46.6873 22.9531 36.7169 22.9531 -4.03196 GPRESSAVG: 322200 3.96064 78.2353 34.9176 77.7639 -46.5355 23.5664 37.6877 22.2809 -4.58769 TIMING: 322200 CPU: 936.446, 0.0029015/step Wall: 936.446, 0.0029015/step, 3.77018 hours remaining, 203.386719 MB of memory in use. ENERGY: 322200 755.6222 2099.9738 1976.9311 116.6219 -205916.4538 17678.7337 0.0000 0.0000 34094.6616 -149193.9096 297.7572 -183288.5712 -149097.2577 298.8547 -255.0444 -229.7342 560409.2021 -15.6756 -15.7208 PRESSURE: 322400 42.4854 62.5953 -65.7716 62.5959 175.625 -78.3094 -65.7719 -78.3113 304 GPRESSURE: 322400 127.578 13.5091 -151.232 126.826 155.555 69.9314 -53.0279 -153.504 318.071 PRESSAVG: 322400 16.1536 51.7571 10.4769 51.7572 -17.7422 -6.39133 10.4768 -6.39142 1.67789 GPRESSAVG: 322400 16.2067 50.5269 9.62731 53.7711 -17.97 -4.53463 10.8636 -8.25259 1.41155 TIMING: 322400 CPU: 937.027, 0.00290681/step Wall: 937.027, 0.00290681/step, 3.77691 hours remaining, 203.386719 MB of memory in use. ENERGY: 322400 750.1952 2138.3680 1979.6676 121.8743 -206639.6533 18207.8578 0.0000 0.0000 34350.3637 -149091.3267 299.9903 -183441.6903 -148996.0516 299.8832 174.0371 200.4012 557899.5669 0.0298 -0.1173 PRESSURE: 322600 -58.6376 71.3909 -69.6689 71.3903 213.369 -54.8747 -69.6698 -54.8733 -199.587 GPRESSURE: 322600 -59.038 90.0751 -48.8149 121.07 278.147 -46.5142 -96.8459 -82.2575 -154.736 PRESSAVG: 322600 -51.9201 41.2638 -10.659 41.2638 74.1947 -15.6149 -10.659 -15.6148 -50.1101 GPRESSAVG: 322600 -53.2669 43.2517 -9.14432 39.0221 75.6385 -16.6926 -12.4883 -15.5618 -49.1702 TIMING: 322600 CPU: 937.603, 0.00287754/step Wall: 937.603, 0.00287754/step, 3.73872 hours remaining, 203.386719 MB of memory in use. ENERGY: 322600 733.2411 2169.2366 1960.8637 107.4658 -206333.5896 17949.5204 0.0000 0.0000 34290.3579 -149122.9040 299.4662 -183413.2619 -149019.1156 299.1659 -14.9519 21.4578 558612.0130 -9.2785 -8.9329 PRESSURE: 322800 140.278 83.2421 -27.4657 83.2432 39.4495 -139.674 -27.464 -139.675 -203.229 GPRESSURE: 322800 158.413 65.7321 -12.797 90.4806 96.4723 -41.29 -5.56173 -155.435 -186.085 PRESSAVG: 322800 -64.7374 37.1676 -14.8782 37.1676 61.9167 10.7208 -14.8782 10.7208 18.3505 GPRESSAVG: 322800 -64.5559 36.5259 -15.1314 37.9173 62.8055 10.5389 -13.6374 11.5665 17.7502 TIMING: 322800 CPU: 938.184, 0.00290405/step Wall: 938.184, 0.00290405/step, 3.77301 hours remaining, 203.386719 MB of memory in use. ENERGY: 322800 755.5559 2155.1364 1988.0726 100.8760 -206174.7892 17953.2862 0.0000 0.0000 34228.9953 -148992.8669 298.9303 -183221.8622 -148899.0324 299.6955 -7.8336 22.9336 558403.1517 5.1766 5.3333 PRESSURE: 323000 174.433 39.4607 97.6085 39.4609 148.777 147.827 97.6091 147.827 278.907 GPRESSURE: 323000 230.492 76.4775 137.982 98.7198 123.449 108.546 140.34 109.531 344.118 PRESSAVG: 323000 -9.10613 32.3453 57.0583 32.3453 22.8319 54.16 57.0584 54.1599 -30.1012 GPRESSAVG: 323000 -8.54191 32.5823 56.8126 31.3819 20.1801 54.505 56.1694 53.859 -28.1847 TIMING: 323000 CPU: 938.764, 0.00290034/step Wall: 938.764, 0.00290034/step, 3.76802 hours remaining, 203.386719 MB of memory in use. ENERGY: 323000 744.4467 2139.6906 1959.1025 115.5468 -206407.1475 18234.4921 0.0000 0.0000 34278.7003 -148935.1686 299.3644 -183213.8689 -148840.5761 299.7017 200.7056 232.6864 558046.7002 -5.4585 -5.5155 PRESSURE: 323200 -241.279 65.0454 -88.3922 65.0443 -89.976 63.1864 -88.3908 63.1858 -384.908 GPRESSURE: 323200 -174.698 107.384 -121.116 -27.2406 -139.863 19.3399 -91.0211 172.593 -305.4 PRESSAVG: 323200 -8.39128 -25.4569 34.2203 -25.4569 43.3105 43.355 34.2204 43.3551 -33.2866 GPRESSAVG: 323200 -7.65549 -25.1784 34.5371 -27.3444 42.8547 41.6883 35.5632 43.7445 -33.4354 TIMING: 323200 CPU: 939.343, 0.00289549/step Wall: 939.343, 0.00289549/step, 3.76157 hours remaining, 203.386719 MB of memory in use. ENERGY: 323200 769.5635 2047.5143 1970.0110 108.5318 -205866.2320 17427.3292 0.0000 0.0000 34544.6152 -148998.6671 301.6867 -183543.2823 -148901.9104 299.3779 -238.7209 -206.6537 558159.0108 0.5442 0.5879 PRESSURE: 323400 123.995 -114.566 73.6517 -114.566 15.3437 130.191 73.6516 130.189 165.562 GPRESSURE: 323400 161.566 -161.912 83.6922 -59.5503 35.0671 84.6114 -15.451 58.4262 210.294 PRESSAVG: 323400 -3.98243 -15.2953 -6.44642 -15.2953 13.0793 24.1718 -6.44626 24.1717 -6.27814 GPRESSAVG: 323400 -3.27509 -15.2807 -5.12349 -13.6033 14.2572 24.5431 -7.83607 25.8876 -8.18616 TIMING: 323400 CPU: 939.923, 0.00290257/step Wall: 939.923, 0.00290257/step, 3.7706 hours remaining, 203.386719 MB of memory in use. ENERGY: 323400 761.8914 2083.3247 1970.0630 101.9906 -206447.1063 18073.1712 0.0000 0.0000 34442.8366 -149013.8288 300.7979 -183456.6654 -148918.6036 299.3791 101.6335 135.6425 556741.6932 0.9396 0.9320 PRESSURE: 323600 -152.075 56.6876 -87.5006 56.6871 89.7683 48.8347 -87.5012 48.8364 -38.588 GPRESSURE: 323600 -105.283 160.462 -30.2103 41.6272 79.5906 12.5171 -80.7755 24.7786 37.9322 PRESSAVG: 323600 43.0476 58.2668 19.4936 58.2668 -10.5893 28.7309 19.4936 28.731 2.68709 GPRESSAVG: 323600 42.782 58.2398 20.1075 59.1182 -11.5302 30.1451 20.3413 24.5989 4.11318 TIMING: 323600 CPU: 940.506, 0.00291145/step Wall: 940.506, 0.00291145/step, 3.78197 hours remaining, 203.453125 MB of memory in use. ENERGY: 323600 747.1898 2137.3015 1952.9384 106.9145 -206213.8446 17861.0258 0.0000 0.0000 34312.5210 -149095.9536 299.6598 -183408.4746 -149000.4673 300.0523 -33.6317 4.0801 557119.6285 11.7151 11.7883 PRESSURE: 323800 117.839 -168.469 -108.928 -168.47 28.2553 -32.0851 -108.928 -32.0842 45.7221 GPRESSURE: 323800 115.056 -211.821 -101.844 -192.184 113.343 -52.6546 -86.5035 -16.5258 56.4765 PRESSAVG: 323800 9.31417 -14.4409 10.5217 -14.4409 42.4335 3.64101 10.5217 3.64102 -47.9214 GPRESSAVG: 323800 9.55607 -14.9513 10.0944 -15.6528 43.5594 2.67782 10.8755 6.89582 -48.9413 TIMING: 323800 CPU: 941.092, 0.00293059/step Wall: 941.092, 0.00293059/step, 3.80667 hours remaining, 203.453125 MB of memory in use. ENERGY: 323800 724.2999 2117.7722 1959.5921 109.2446 -206394.6468 18059.8532 0.0000 0.0000 34203.6291 -149220.2556 298.7088 -183423.8848 -149117.5167 298.8756 63.9386 94.9585 558392.7882 1.2754 1.3914 PRESSURE: 324000 219.358 69.5939 -133.108 69.5933 -203.332 29.0489 -133.108 29.05 -311.319 GPRESSURE: 324000 196.171 107.398 -135.737 40.9397 -150.758 7.07415 -90.5801 80.4677 -246.909 PRESSAVG: 324000 19.2558 25.8246 -25.7028 25.8245 -2.88708 24.5064 -25.7028 24.5064 -38.9199 GPRESSAVG: 324000 18.1172 25.7379 -25.4706 26.4377 -1.77297 23.6589 -26.6644 24.8262 -38.5979 TIMING: 324000 CPU: 941.671, 0.00289422/step Wall: 941.671, 0.00289422/step, 3.75926 hours remaining, 203.453125 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: 324000 743.6099 2128.7081 1971.6487 103.9991 -206190.4472 17811.1285 0.0000 0.0000 34245.3062 -149186.0468 299.0728 -183431.3530 -149097.0785 299.4233 -98.4312 -67.1651 558558.6954 -7.5171 -7.4179 PRESSURE: 324200 14.8442 169.846 144.824 169.847 20.6705 -45.0843 144.824 -45.0837 -35.4768 GPRESSURE: 324200 31.2898 229.578 164.259 145.082 60.4878 -51.1938 116.165 -31.137 -7.6754 PRESSAVG: 324200 11.0758 14.8401 -39.3399 14.8402 14.6324 32.9939 -39.3399 32.9941 10.0105 GPRESSAVG: 324200 11.0308 14.8242 -38.7779 14.6812 13.9851 34.2221 -41.8489 32.2267 10.7197 TIMING: 324200 CPU: 942.25, 0.00289703/step Wall: 942.25, 0.00289703/step, 3.76276 hours remaining, 203.453125 MB of memory in use. ENERGY: 324200 762.9384 2091.2004 1974.7719 116.1659 -206047.6342 17771.2933 0.0000 0.0000 34036.9104 -149294.3540 297.2528 -183331.2643 -149197.8934 299.0984 0.0126 28.0341 559582.1109 11.9062 11.9119 LDB: ============= START OF LOAD BALANCING ============== 945.716 LDB: ============== END OF LOAD BALANCING =============== 945.717 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 945.718 LDB: ============= START OF LOAD BALANCING ============== 946.008 LDB: Largest compute 4820 load 0.027206 is 23.2% of average load 0.117423 LDB: Average compute 0.001736 is 1.5% of average load 0.117423 LDB: TIME 946.01 LOAD: AVG 0.117423 MAX 0.176561 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.766 MB LDB: TIME 946.011 LOAD: AVG 0.117423 MAX 0.176561 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.836 MB LDB: TIME 946.011 LOAD: AVG 0.117423 MAX 0.176561 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 946.013 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 946.017 PRESSURE: 324400 -54.84 -104.194 37.5527 -104.195 -42.4824 -114.142 37.5534 -114.142 -104.917 GPRESSURE: 324400 -21.6615 -87.1382 105.265 -147.703 -13.9624 -231.736 -25.4636 -71.7132 -71.6678 PRESSAVG: 324400 49.1075 -18.9879 3.76308 -18.9878 -20.6714 1.93512 3.76313 1.93521 -41.9358 GPRESSAVG: 324400 49.4754 -20.8659 5.17658 -19.4855 -20.3584 2.42011 5.31173 0.920856 -42.3876 TIMING: 324400 CPU: 942.842, 0.00295841/step Wall: 942.842, 0.00295841/step, 3.84231 hours remaining, 202.082031 MB of memory in use. ENERGY: 324400 790.2737 2087.9821 1954.4867 113.6704 -206358.2444 17806.0566 0.0000 0.0000 34340.3366 -149265.4385 299.9027 -183605.7751 -149175.1712 298.7105 -67.4133 -35.7639 558827.7409 -4.4999 -4.4235 PRESSURE: 324600 74.5509 -71.7498 81.9664 -71.7476 60.9261 169.597 81.9656 169.598 -105.315 GPRESSURE: 324600 69.6737 -40.977 131.476 -67.8155 79.4308 135.763 41.4258 149.675 -23.5727 PRESSAVG: 324600 36.8274 0.821854 -23.2457 0.821857 -53.8116 -36.2692 -23.2456 -36.2691 4.23995 GPRESSAVG: 324600 36.682 2.66639 -26.1581 2.64895 -54.0259 -37.8768 -21.6241 -35.8539 3.93138 TIMING: 324600 CPU: 943.418, 0.0028805/step Wall: 943.418, 0.0028805/step, 3.74097 hours remaining, 202.410156 MB of memory in use. ENERGY: 324600 716.8904 2069.0921 1948.7006 113.1586 -206441.5641 18075.9111 0.0000 0.0000 34056.1776 -149461.6336 297.4211 -183517.8113 -149368.7001 298.2295 10.0539 41.8439 558476.2011 -4.2481 -4.4709 PRESSURE: 324800 -90.7086 3.52489 24.1264 3.52655 179.986 2.23649 24.1248 2.23769 180.094 GPRESSURE: 324800 -5.56043 -24.6976 52.3435 17.3672 145.102 100.595 14.2835 -66.9011 217.399 PRESSAVG: 324800 14.0754 57.3178 29.7077 57.3178 -18.7182 -32.071 29.7077 -32.071 39.0218 GPRESSAVG: 324800 14.3074 55.437 31.797 57 -19.2013 -30.9291 29.5065 -31.2387 39.3818 TIMING: 324800 CPU: 943.993, 0.00287446/step Wall: 943.993, 0.00287446/step, 3.73296 hours remaining, 202.480469 MB of memory in use. ENERGY: 324800 741.2622 2100.6356 1959.5049 122.8077 -206331.8917 17999.2322 0.0000 0.0000 34254.6308 -149153.8182 299.1542 -183408.4490 -149060.7107 297.5214 89.7904 118.9803 558305.6276 11.4597 11.4960 PRESSURE: 325000 -399.267 -35.3207 -166.533 -35.3195 -326.265 -159.286 -166.533 -159.287 -334.94 GPRESSURE: 325000 -304.564 -44.7897 -43.3967 26.0053 -253.115 -136.497 -278.655 -145.827 -406.332 PRESSAVG: 325000 -12.1202 0.811663 -16.3766 0.811705 -45.643 3.12206 -16.3767 3.12217 52.7619 GPRESSAVG: 325000 -12.9796 1.01586 -17.2559 1.59108 -44.57 2.70049 -16.2035 1.92337 52.0304 TIMING: 325000 CPU: 944.571, 0.00288859/step Wall: 944.571, 0.00288859/step, 3.75115 hours remaining, 202.480469 MB of memory in use. ENERGY: 325000 714.9737 2135.6531 1962.4918 101.7180 -205423.9187 17126.3540 0.0000 0.0000 34345.6285 -149037.0997 299.9489 -183382.7281 -148936.2648 299.7889 -353.4908 -321.3371 557158.3209 -1.6671 -1.8397 PRESSURE: 325200 178.825 -103.445 -61.318 -103.446 80.4842 -13.5379 -61.3169 -13.5375 111.003 GPRESSURE: 325200 172.099 -169.683 -80.6457 -86.9355 153.757 -53.3241 -76.2384 -59.2646 149.884 PRESSAVG: 325200 -3.75955 2.88696 -5.77531 2.88694 -12.533 -3.14418 -5.77534 -3.14414 2.35907 GPRESSAVG: 325200 -2.5281 5.47145 -4.05337 1.53907 -13.6598 -2.63239 -6.52891 -0.772204 2.319 TIMING: 325200 CPU: 945.146, 0.00287995/step Wall: 945.146, 0.00287995/step, 3.73977 hours remaining, 202.480469 MB of memory in use. ENERGY: 325200 744.5977 2096.8015 1998.4065 113.9598 -206173.2642 17887.2239 0.0000 0.0000 34428.1782 -148904.0966 300.6698 -183332.2748 -148805.9670 299.4703 123.4375 158.5800 556211.7015 -4.6445 -4.6229 PRESSURE: 325400 30.7216 -41.5822 -9.88722 -41.5813 108.89 51.9151 -9.88814 51.9158 3.95623 GPRESSURE: 325400 101.574 -33.0785 -39.782 3.41548 108.387 76.9544 -66.3851 80.8676 34.8037 PRESSAVG: 325400 -2.50213 64.1057 8.2315 64.1057 -3.5666 41.632 8.23149 41.632 -11.1453 GPRESSAVG: 325400 -3.0391 62.9173 7.62608 62.5944 -3.88756 43.1999 8.708 39.2919 -10.3651 TIMING: 325400 CPU: 945.722, 0.0028794/step Wall: 945.722, 0.0028794/step, 3.7389 hours remaining, 202.480469 MB of memory in use. ENERGY: 325400 752.7959 2126.8485 2003.1037 115.6081 -206051.9679 17931.9642 0.0000 0.0000 34358.7474 -148762.9000 300.0635 -183121.6474 -148669.0610 299.9621 47.8558 81.5884 556880.5209 -5.7380 -5.7639 PRESSURE: 325600 -113.051 159.721 -54.1196 159.721 142.156 98.6533 -54.1208 98.6549 -87.0779 GPRESSURE: 325600 -52.5531 158.607 -17.4346 32.5442 139.433 75.5899 -45.1908 171.965 -40.2069 PRESSAVG: 325600 -38.3484 -31.1063 -53.737 -31.1064 -29.0449 73.463 -53.7371 73.4631 60.2391 GPRESSAVG: 325600 -36.9661 -32.0832 -55.7457 -28.7232 -29.5784 74.5779 -52.3854 71.7306 59.1619 TIMING: 325600 CPU: 946.299, 0.00288063/step Wall: 946.299, 0.00288063/step, 3.74034 hours remaining, 202.480469 MB of memory in use. ENERGY: 325600 732.2916 2014.5704 1979.1734 123.0175 -205887.5909 17757.1720 0.0000 0.0000 34452.2189 -148829.1470 300.8798 -183281.3659 -148728.8965 300.6707 -19.3241 15.5576 558188.0046 -2.3847 -2.4609 PRESSURE: 325800 -177.679 -209.749 -5.12777 -209.749 -76.651 -11.8546 -5.12823 -11.8552 -215.813 GPRESSURE: 325800 -130.865 -289.168 -116.669 -177.668 -74.3527 94.178 -27.9854 -26.1927 -167.132 PRESSAVG: 325800 18.2227 23.0307 -87.1141 23.0308 -16.4967 41.1213 -87.1141 41.1212 -28.1938 GPRESSAVG: 325800 16.6902 23.187 -87.3415 24.1967 -16.7338 39.8357 -88.3262 41.8555 -26.5499 TIMING: 325800 CPU: 946.874, 0.00287986/step Wall: 946.874, 0.00287986/step, 3.73918 hours remaining, 202.480469 MB of memory in use. ENERGY: 325800 736.2239 2072.8861 1996.2584 117.0127 -205499.1154 17420.1388 0.0000 0.0000 34338.4197 -148818.1758 299.8860 -183156.5955 -148723.6578 299.8702 -156.7143 -124.1167 557015.8210 -8.8226 -8.8645 PRESSURE: 326000 -69.1321 -5.47356 6.37189 -5.47358 73.5966 -175.262 6.37198 -175.261 75.9571 GPRESSURE: 326000 -35.7692 -76.8401 -9.18405 -15.535 76.3223 -169.608 -18.2137 -149.996 139.754 PRESSAVG: 326000 -54.2481 -83.1231 -34.4526 -83.1231 9.72442 -3.69325 -34.4526 -3.69337 60.2784 GPRESSAVG: 326000 -54.5976 -84.1523 -33.8399 -83.6171 10.0067 -4.63617 -34.5134 -3.22023 59.8185 TIMING: 326000 CPU: 947.451, 0.00288323/step Wall: 947.451, 0.00288323/step, 3.7434 hours remaining, 202.480469 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: 326000 781.1867 2159.9773 1970.6677 101.6520 -206018.9253 17925.6398 0.0000 0.0000 34329.7705 -148750.0313 299.8104 -183079.8017 -148651.6906 299.8790 26.8072 60.1022 556195.1276 5.2516 5.0759 PRESSURE: 326200 -31.3733 -108.923 -9.54991 -108.923 169.633 -151.619 -9.55028 -151.62 -14.0944 GPRESSURE: 326200 19.9517 -113.043 14.5845 -140.89 170.52 -135.037 -6.53789 -85.6642 32.4232 PRESSAVG: 326200 -67.5059 20.9776 -56.878 20.9776 -32.7001 -40.1415 -56.8781 -40.1414 109.774 GPRESSAVG: 326200 -68.4665 19.962 -55.9721 21.3943 -31.9709 -40.9127 -58.6888 -38.5837 109.158 TIMING: 326200 CPU: 948.025, 0.0028702/step Wall: 948.025, 0.0028702/step, 3.72632 hours remaining, 202.554688 MB of memory in use. ENERGY: 326200 786.4367 2126.0804 1977.6968 111.6727 -206226.9793 18114.9294 0.0000 0.0000 34275.3410 -148834.8223 299.3351 -183110.1632 -148735.3090 299.9029 41.3885 74.2983 557829.1975 3.1895 2.9068 PRESSURE: 326400 -186.596 -78.991 -91.9563 -78.9902 74.9269 152.691 -91.956 152.69 136.385 GPRESSURE: 326400 -121.205 -119.191 -125.896 -10.1295 131.15 165.489 -79.8747 138.75 105.92 PRESSAVG: 326400 -66.9131 23.421 21.7369 23.4209 24.1801 -18.6845 21.737 -18.6847 44.4147 GPRESSAVG: 326400 -66.4968 25.6669 20.9164 21.0151 24.2619 -19.6714 22.8571 -19.3189 44.0043 TIMING: 326400 CPU: 948.599, 0.00286811/step Wall: 948.599, 0.00286811/step, 3.72344 hours remaining, 202.554688 MB of memory in use. ENERGY: 326400 814.1121 2025.9369 2000.5219 108.6553 -205900.4614 17798.1405 0.0000 0.0000 34348.1443 -148804.9504 299.9709 -183153.0947 -148709.2287 299.6603 8.2384 38.6213 557772.7702 0.5605 0.5898 PRESSURE: 326600 -25.199 55.9945 -63.4525 55.994 -29.6288 106.928 -63.4518 106.927 -140.624 GPRESSURE: 326600 30.7024 -11.1199 -100.409 109.218 -12.4784 93.8915 72.1548 110.502 -104.338 PRESSAVG: 326600 24.7803 49.0702 -40.5295 49.0702 -23.5163 32.3897 -40.5295 32.3896 5.58306 GPRESSAVG: 326600 24.9834 48.8748 -38.7363 50.1186 -23.6975 34.7476 -39.8302 30.9202 6.29081 TIMING: 326600 CPU: 949.172, 0.00286662/step Wall: 949.172, 0.00286662/step, 3.72136 hours remaining, 202.554688 MB of memory in use. ENERGY: 326600 733.9367 2138.4086 1975.5020 115.9945 -205657.0670 17559.4930 0.0000 0.0000 34407.7861 -148725.9461 300.4918 -183133.7322 -148632.0370 300.2274 -65.1506 -28.7045 557442.7780 2.2824 2.5256 PRESSURE: 326800 -345.956 123.954 -54.1341 123.954 16.0976 149.59 -54.1341 149.591 -43.0874 GPRESSURE: 326800 -311.685 82.9216 -109.577 137.059 53.4686 64.8369 42.7438 146.214 -26.0764 PRESSAVG: 326800 -50.4094 45.5607 -51.8457 45.5607 -1.65607 60.0287 -51.8458 60.0288 44.1775 GPRESSAVG: 326800 -48.6139 44.9998 -54.3246 45.8141 -2.34022 60.4654 -51.2802 60.1957 43.1055 TIMING: 326800 CPU: 949.743, 0.00285612/step Wall: 949.743, 0.00285612/step, 3.70756 hours remaining, 202.554688 MB of memory in use. ENERGY: 326800 746.4185 2113.0480 1965.7675 116.5095 -205643.6761 17536.6843 0.0000 0.0000 34370.9440 -148794.3043 300.1700 -183165.2483 -148691.8008 300.7231 -124.3151 -94.7642 557916.0806 -2.6293 -2.6162 PRESSURE: 327000 196.436 6.7407 6.27995 6.74129 -123.921 182.036 6.28078 182.038 94.9614 GPRESSURE: 327000 294.15 31.3181 82.9538 39.7742 -172.506 192.019 -15.827 182.643 141.357 PRESSAVG: 327000 -25.0486 32.0563 -26.7095 32.0564 -16.3238 2.43032 -26.7095 2.43035 28.5718 GPRESSAVG: 327000 -25.9723 31.1867 -25.9983 33.0453 -16.5068 0.504473 -26.6327 4.26 29.5301 TIMING: 327000 CPU: 950.316, 0.00286356/step Wall: 950.316, 0.00286356/step, 3.71706 hours remaining, 202.554688 MB of memory in use. ENERGY: 327000 753.0763 2056.4304 1985.5169 120.2590 -206060.7311 17805.5340 0.0000 0.0000 34505.5954 -148834.3190 301.3459 -183339.9144 -148738.0813 300.0330 55.8253 87.6672 556487.3809 -4.2669 -4.3163 PRESSURE: 327200 -34.8363 -50.8554 -16.6923 -50.8555 -35.7875 99.9603 -16.6912 99.9604 178.335 GPRESSURE: 327200 -15.5552 26.6947 -37.692 -105.98 22.4202 156.207 91.125 79.6432 213.588 PRESSAVG: 327200 20.3626 31.1137 -12.5508 31.1137 1.17619 -10.5074 -12.5508 -10.5074 18.6537 GPRESSAVG: 327200 19.8934 31.6176 -11.9924 31.1931 1.78908 -8.50336 -12.2494 -13.5871 18.4176 TIMING: 327200 CPU: 950.893, 0.00288266/step Wall: 950.893, 0.00288266/step, 3.74169 hours remaining, 202.554688 MB of memory in use. ENERGY: 327200 746.2446 2112.6191 1989.2694 110.5217 -206136.7515 17820.9795 0.0000 0.0000 34482.4693 -148874.6478 301.1440 -183357.1172 -148778.8224 300.5411 35.9037 73.4842 556863.5534 13.3975 13.3667 PRESSURE: 327400 -83.9247 -48.7356 46.4822 -48.7359 -77.5071 56.1227 46.4828 56.1237 -141.921 GPRESSURE: 327400 -17.3954 -145.364 13.4155 26.8481 -98.9352 -20.3584 44.9302 67.792 -83.1604 PRESSAVG: 327400 39.6479 3.31718 -42.5097 3.31713 16.0605 9.46812 -42.5098 9.46804 -5.51774 GPRESSAVG: 327400 40.6912 5.04821 -40.2758 1.74516 16.0592 7.4482 -44.986 11.6859 -6.78577 TIMING: 327400 CPU: 951.475, 0.00291409/step Wall: 951.475, 0.00291409/step, 3.78233 hours remaining, 202.554688 MB of memory in use. ENERGY: 327400 756.0631 2066.2282 1996.6281 107.0416 -205590.8170 17483.5791 0.0000 0.0000 34391.2296 -148790.0472 300.3472 -183181.2768 -148686.9993 300.2848 -101.1175 -66.4970 556343.0720 16.7302 16.6549 PRESSURE: 327600 63.0752 23.111 -74.777 23.1107 94.6506 70.6868 -74.7774 70.6864 117.819 GPRESSURE: 327600 88.3136 46.0512 19.4624 2.95819 156.454 145.26 -23.5258 36.6936 129.283 PRESSAVG: 327600 -15.5443 38.794 -0.494664 38.7939 33.9878 67.884 -0.494686 67.8839 -47.4821 GPRESSAVG: 327600 -15.7991 37.4421 0.31211 36.9241 33.2018 69.2834 -1.12584 65.3345 -46.5059 TIMING: 327600 CPU: 952.055, 0.00289792/step Wall: 952.055, 0.00289791/step, 3.76117 hours remaining, 202.554688 MB of memory in use. ENERGY: 327600 727.0966 2006.7006 1954.6914 101.2518 -205994.8210 17878.9462 0.0000 0.0000 34503.9005 -148822.2338 301.3311 -183326.1343 -148731.0512 300.5678 91.8482 124.6837 556235.6054 -9.6795 -9.7011 PRESSURE: 327800 -16.8097 16.3717 127.656 16.3723 -245.694 -41.603 127.656 -41.6028 -2.78391 GPRESSURE: 327800 -71.1499 61.9246 74.9526 3.49849 -180.001 -79.4581 30.764 -17.3758 85.3536 PRESSAVG: 327800 -17.5979 30.3575 -39.8225 30.3575 24.7759 16.1211 -39.8225 16.1211 22.5924 GPRESSAVG: 327800 -18.1316 30.7407 -42.2405 30.1769 24.9661 16.7231 -36.7123 17.3461 22.7134 TIMING: 327800 CPU: 952.633, 0.00288774/step Wall: 952.633, 0.00288774/step, 3.7478 hours remaining, 202.554688 MB of memory in use. ENERGY: 327800 777.8708 2040.9291 1987.2195 113.0116 -205567.8667 17358.4379 0.0000 0.0000 34408.6687 -148881.7292 300.4995 -183290.3979 -148781.6287 299.9080 -88.4293 -55.2656 556336.4093 9.9234 9.8493 PRESSURE: 328000 -204.422 -85.6018 60.2054 -85.6013 32.9137 -14.8383 60.2051 -14.8386 -77.7894 GPRESSURE: 328000 -214.848 -118.948 73.9971 -95.2116 85.1267 26.325 53.0533 -57.3853 -12.5877 PRESSAVG: 328000 -43.2306 6.84418 -23.2422 6.84424 -17.1529 11.1538 -23.2421 11.1539 62.1567 GPRESSAVG: 328000 -42.7452 5.38008 -24.8413 10.8044 -17.3623 10.3507 -21.8651 11.1103 62.5989 TIMING: 328000 CPU: 953.213, 0.00290314/step Wall: 953.213, 0.00290314/step, 3.76763 hours remaining, 202.554688 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: 328000 756.6152 2015.3941 1962.2904 106.0979 -205877.8144 17556.4899 0.0000 0.0000 34411.2521 -149069.6750 300.5220 -183480.9270 -148969.3648 299.9427 -83.0994 -47.4363 556510.2627 0.5911 0.8305 PRESSURE: 328200 -300.021 89.2015 -22.0239 89.2011 -149.78 232.272 -22.0242 232.271 -137.231 GPRESSURE: 328200 -212.843 80.3672 -16.4457 126.889 -161.784 240.097 -83.4329 187.481 -130.27 PRESSAVG: 328200 -104.4 -8.91692 -50.284 -8.91693 2.39868 -27.6585 -50.284 -27.6586 114.718 GPRESSAVG: 328200 -104.418 -6.62168 -48.9962 -11.2888 3.68362 -27.7075 -51.6239 -26.9289 113.671 TIMING: 328200 CPU: 953.795, 0.00291049/step Wall: 953.795, 0.00291049/step, 3.77701 hours remaining, 202.554688 MB of memory in use. ENERGY: 328200 797.1505 2140.6525 1949.5012 122.8160 -205650.7984 17492.0110 0.0000 0.0000 34214.0523 -148934.6148 298.7998 -183148.6671 -148840.5490 299.3797 -195.6772 -168.2993 557618.4052 4.2390 4.3122 LDB: ============= START OF LOAD BALANCING ============== 957.259 LDB: ============== END OF LOAD BALANCING =============== 957.259 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 957.261 LDB: ============= START OF LOAD BALANCING ============== 957.552 LDB: Largest compute 4820 load 0.026538 is 22.6% of average load 0.117425 LDB: Average compute 0.001732 is 1.5% of average load 0.117425 LDB: TIME 957.555 LOAD: AVG 0.117425 MAX 0.17562 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.082 MB LDB: TIME 957.555 LOAD: AVG 0.117425 MAX 0.17562 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.09 MB LDB: TIME 957.555 LOAD: AVG 0.117425 MAX 0.17562 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.09 MB LDB: ============== END OF LOAD BALANCING =============== 957.557 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 957.561 PRESSURE: 328400 -321.631 37.3801 -93.7856 37.3786 7.70533 52.6805 -93.7854 52.6801 -10.6004 GPRESSURE: 328400 -313.154 48.7034 -45.954 -7.98236 30.07 93.9091 -202.946 18.0853 52.6039 PRESSAVG: 328400 -52.814 11.6706 -40.2488 11.6706 8.20437 9.54307 -40.2487 9.54307 13.062 GPRESSAVG: 328400 -52.9988 11.68 -39.1918 12.6604 7.92011 8.13044 -40.8632 10.1949 13.7665 TIMING: 328400 CPU: 954.386, 0.00295343/step Wall: 954.386, 0.00295343/step, 3.83257 hours remaining, 202.984375 MB of memory in use. ENERGY: 328400 729.4336 2059.5940 1960.1726 117.8919 -205970.2508 17722.6555 0.0000 0.0000 34320.3511 -149060.1520 299.7282 -183380.5032 -148958.7101 299.3887 -108.1753 -76.8266 557680.9287 -10.5159 -10.4374 PRESSURE: 328600 139.342 -134.176 -135.814 -134.178 39.1411 94.7506 -135.815 94.7517 14.4816 GPRESSURE: 328600 193.715 -206.55 -63.3777 -133.053 72.8035 37.4399 -176.932 81.0692 27.1375 PRESSAVG: 328600 -23.9304 3.04347 -27.114 3.04339 27.1179 48.0462 -27.1139 48.0463 -12.3821 GPRESSAVG: 328600 -24.1202 1.7458 -27.1995 1.13391 27.4596 48.7635 -27.8886 46.79 -12.2644 TIMING: 328600 CPU: 954.971, 0.00292564/step Wall: 954.971, 0.00292564/step, 3.79635 hours remaining, 203.187500 MB of memory in use. ENERGY: 328600 745.7315 2068.0590 1958.8298 110.1735 -205687.7381 17725.1623 0.0000 0.0000 34181.5677 -148898.2144 298.5161 -183079.7820 -148802.6246 299.1138 64.3215 97.8854 557912.1590 -3.0649 -2.9750 PRESSURE: 328800 -4.11798 158.338 72.7358 158.338 105.801 29.1691 72.7346 29.1698 -101.207 GPRESSURE: 328800 -20.9404 109.167 98.4636 217.755 135.171 26.4106 107.025 -27.0365 -19.8527 PRESSAVG: 328800 -11.8844 11.9197 28.5305 11.9199 -44.1236 -17.7616 28.5306 -17.7617 26.4112 GPRESSAVG: 328800 -10.7388 12.1406 29.7276 10.8054 -44.4603 -17.0191 28.3352 -17.7422 26.0716 TIMING: 328800 CPU: 955.557, 0.00292881/step Wall: 955.557, 0.00292881/step, 3.80029 hours remaining, 203.187500 MB of memory in use. ENERGY: 328800 721.9680 2096.9171 1999.8717 114.6688 -206275.9073 17929.7860 0.0000 0.0000 34401.8885 -149010.8073 300.4402 -183412.6958 -148909.9547 299.1639 0.1587 31.4592 558137.0585 -9.8656 -9.7092 PRESSURE: 329000 -237.763 -52.0788 -169.25 -52.0786 -31.5161 -314.924 -169.251 -314.924 230.174 GPRESSURE: 329000 -153.351 -2.74077 -303.336 -106.391 -21.0696 -262.811 -126.515 -279.715 225.373 PRESSAVG: 329000 -44.3904 -7.712 -12.7944 -7.71195 -30.0257 -35.5782 -12.7944 -35.5782 63.5938 GPRESSAVG: 329000 -44.6912 -6.89723 -15.0509 -5.40334 -30.3877 -35.0939 -12.3183 -35.9261 64.3109 TIMING: 329000 CPU: 956.139, 0.00290847/step Wall: 956.139, 0.00290847/step, 3.77374 hours remaining, 203.187500 MB of memory in use. ENERGY: 329000 767.6231 2069.2305 1966.4274 114.7622 -205931.6906 17761.2297 0.0000 0.0000 34289.3314 -148963.0862 299.4573 -183252.4176 -148859.4320 299.6097 -13.0349 16.9840 558247.5236 -3.6074 -3.5893 PRESSURE: 329200 -98.6246 111.297 83.3744 111.297 -185.563 -102.704 83.3745 -102.706 -286.023 GPRESSURE: 329200 -106.021 158.484 90.7858 151.461 -92.8967 -149.093 130.606 -120.918 -263.714 PRESSAVG: 329200 16.9045 -23.0158 -6.28247 -23.0158 1.50304 -26.3316 -6.2824 -26.3316 -9.59001 GPRESSAVG: 329200 16.4242 -23.3407 -5.47291 -22.7332 2.18258 -26.5599 -6.03211 -26.4594 -10.1032 TIMING: 329200 CPU: 956.72, 0.00290958/step Wall: 956.72, 0.00290958/step, 3.77502 hours remaining, 203.187500 MB of memory in use. ENERGY: 329200 726.8583 2113.9381 1980.6027 122.7203 -205660.4435 17561.0009 0.0000 0.0000 34285.9907 -148869.3326 299.4281 -183155.3233 -148770.8438 299.4669 -190.0703 -154.2106 557893.0785 2.9392 2.8345 PRESSURE: 329400 -42.2824 63.3798 -2.24098 63.3792 -177.724 -87.869 -2.24205 -87.8703 -263.129 GPRESSURE: 329400 15.4306 71.0787 -13.5352 14.7374 -241.148 -40.1862 25.3477 -107.211 -170.423 PRESSAVG: 329400 26.637 -11.7212 2.20059 -11.7212 -31.3074 -28.8157 2.20059 -28.8156 59.6697 GPRESSAVG: 329400 25.6984 -11.0756 0.762903 -14.3277 -31.4034 -30.1513 3.09556 -28.6615 60.059 TIMING: 329400 CPU: 957.305, 0.00292038/step Wall: 957.305, 0.00292038/step, 3.78887 hours remaining, 203.187500 MB of memory in use. ENERGY: 329400 779.8414 2098.6652 1959.9692 119.1822 -205822.1658 17617.5853 0.0000 0.0000 34448.3515 -148798.5711 300.8460 -183246.9226 -148696.8912 300.3208 -161.0452 -132.0469 557473.9241 18.3331 18.1180 PRESSURE: 329600 -291.847 -11.3627 -14.1207 -11.3631 281.776 -253.253 -14.1211 -253.254 450.422 GPRESSURE: 329600 -172.281 -43.2888 0.704982 5.06597 275.553 -180.391 -51.3891 -239.908 432.025 PRESSAVG: 329600 -16.4262 -6.82431 72.0189 -6.82431 18.2667 -9.58667 72.0189 -9.58652 6.79341 GPRESSAVG: 329600 -15.9708 -8.25836 72.8038 -4.34155 18.1539 -8.51123 71.5271 -7.63225 7.21264 TIMING: 329600 CPU: 957.884, 0.00289615/step Wall: 957.884, 0.00289615/step, 3.75728 hours remaining, 203.187500 MB of memory in use. ENERGY: 329600 747.1759 2122.2404 1995.9624 114.3221 -206295.2491 18010.9367 0.0000 0.0000 34420.2607 -148884.3508 300.6007 -183304.6116 -148785.2103 300.3133 146.7839 178.4325 555883.8265 2.8780 3.1319 PRESSURE: 329800 -153.925 61.6084 -3.21494 61.61 68.3412 47.412 -3.21513 47.4119 86.489 GPRESSURE: 329800 -136.047 87.2039 43.7658 20.0044 133.999 111.121 -87.0386 -23.7899 92.7546 PRESSAVG: 329800 -54.3397 -18.3652 27.5257 -18.3652 34.1644 -56.2329 27.5256 -56.2329 16.0786 GPRESSAVG: 329800 -53.0552 -19.2736 29.2838 -19.6384 32.8975 -54.1894 27.0485 -59.0853 15.9894 TIMING: 329800 CPU: 958.467, 0.00291842/step Wall: 958.467, 0.00291842/step, 3.786 hours remaining, 203.187500 MB of memory in use. ENERGY: 329800 712.2881 2099.8218 1990.5789 110.9358 -206077.5530 17888.0008 0.0000 0.0000 34419.9465 -148855.9810 300.5980 -183275.9275 -148752.8451 300.6296 0.3017 30.2357 558808.6751 -1.3655 -1.3894 PRESSURE: 330000 -459.12 80.298 -72.8633 80.2977 94.1897 27.8292 -72.8637 27.83 -57.6723 GPRESSURE: 330000 -407.271 43.1743 -131.341 28.1131 179.433 5.80372 -122.823 35.7551 -95.1651 PRESSAVG: 330000 -71.7773 12.8799 -15.4251 12.8799 56.0381 -47.6313 -15.4251 -47.6312 6.61675 GPRESSAVG: 330000 -73.0298 13.9769 -16.9685 13.9444 57.2507 -50.4598 -13.3949 -43.7249 6.75355 TIMING: 330000 CPU: 959.045, 0.00288993/step Wall: 959.045, 0.00288993/step, 3.74888 hours remaining, 203.187500 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: 330000 752.9812 2143.4419 1984.4813 116.7962 -205809.9297 17480.0014 0.0000 0.0000 34218.3276 -149113.9002 298.8372 -183332.2278 -149018.7178 300.4536 -140.8676 -107.6677 557088.9432 -3.0408 -3.0085 PRESSURE: 330200 46.2006 -109.214 42.3374 -109.215 -114.997 -41.6207 42.3367 -41.6192 67.3841 GPRESSURE: 330200 62.8323 -218.119 113.614 -52.7914 -79.2557 -106.862 69.6552 -45.099 111.706 PRESSAVG: 330200 -9.54174 -21.6796 -68.3544 -21.6797 -14.0002 -46.408 -68.3543 -46.408 60.281 GPRESSAVG: 330200 -9.30837 -20.7996 -69.271 -23.1569 -14.2696 -46.5035 -68.473 -48.1567 60.0421 TIMING: 330200 CPU: 959.621, 0.00287858/step Wall: 959.621, 0.00287858/step, 3.734 hours remaining, 203.187500 MB of memory in use. ENERGY: 330200 815.5034 2106.8516 1961.5345 113.4808 -206096.7990 17955.0668 0.0000 0.0000 34227.5304 -148916.8315 298.9175 -183144.3619 -148822.7498 299.8840 -0.4709 31.7608 557291.0763 12.2464 12.1547 PRESSURE: 330400 -88.5875 -0.132673 -116.061 -0.131908 90.2281 90.199 -116.06 90.1994 -5.20773 GPRESSURE: 330400 -41.6911 -53.4627 -35.8102 61.3229 152.027 53.0848 -83.439 116.667 -8.77895 PRESSAVG: 330400 18.4373 8.26785 -35.7122 8.26793 -43.2943 -28.656 -35.7122 -28.6561 23.9387 GPRESSAVG: 330400 18.1592 6.739 -34.347 8.49713 -43.2328 -28.8389 -37.1117 -28.0889 24.9185 TIMING: 330400 CPU: 960.198, 0.00288421/step Wall: 960.198, 0.00288421/step, 3.74114 hours remaining, 203.187500 MB of memory in use. ENERGY: 330400 793.2288 2109.4101 2002.1067 109.2490 -206017.2831 17853.0249 0.0000 0.0000 34130.0308 -149020.2328 298.0660 -183150.2636 -148924.9348 299.4929 -1.1890 33.8525 558464.7203 -0.3061 -0.0517 PRESSURE: 330600 -144.522 -152.874 -133.858 -152.874 -187.591 -98.7153 -133.858 -98.7154 -20.1409 GPRESSURE: 330600 -106.369 -138.107 -154.049 -44.5408 -205.978 -30.2818 -173.336 -26.0174 63.0958 PRESSAVG: 330600 14.6965 -43.7155 -69.9097 -43.7155 51.401 17.1083 -69.9097 17.1084 -28.1689 GPRESSAVG: 330600 14.2338 -43.1569 -69.8986 -41.8979 52.6934 18.9902 -70.2137 16.0715 -28.4339 TIMING: 330600 CPU: 960.772, 0.00286975/step Wall: 960.772, 0.00286975/step, 3.72222 hours remaining, 203.187500 MB of memory in use. ENERGY: 330600 784.4319 2166.1757 1961.5559 128.3076 -206042.1743 17727.8247 0.0000 0.0000 34225.7659 -149048.1126 298.9021 -183273.8785 -148944.9337 299.3419 -117.4179 -83.0838 559528.0717 12.6429 12.8311 PRESSURE: 330800 -72.8741 51.3723 -17.8374 51.3714 54.7517 -210.095 -17.8364 -210.096 -191.253 GPRESSURE: 330800 -39.0491 81.7317 -93.7346 49.8082 99.5987 -252.002 -8.17321 -224.993 -171.219 PRESSAVG: 330800 6.67824 27.5629 -20.4353 27.5628 11.6446 -31.3345 -20.4353 -31.3345 -25.4479 GPRESSAVG: 330800 7.72247 27.6403 -22.451 26.5203 12.2373 -32.1001 -20.6411 -29.7598 -27.0014 TIMING: 330800 CPU: 961.354, 0.00290977/step Wall: 961.354, 0.00290977/step, 3.77397 hours remaining, 203.187500 MB of memory in use. ENERGY: 330800 755.5211 2124.2056 1995.2775 110.3615 -206368.6277 17850.4376 0.0000 0.0000 34379.6122 -149153.2122 300.2457 -183532.8244 -149052.2331 298.8264 -69.7916 -36.8899 559251.7797 -2.3750 -2.3472 PRESSURE: 331000 -152.445 -212.945 -3.65387 -212.947 -54.045 58.2755 -3.65495 58.2748 -195.637 GPRESSURE: 331000 -181.951 -237.561 -55.5772 -223.002 34.0659 104.597 -25.3962 0.00348709 -158.121 PRESSAVG: 331000 1.01521 12.6984 -23.6971 12.6982 0.345926 -9.19606 -23.6971 -9.19612 5.40633 GPRESSAVG: 331000 0.69872 11.2059 -20.7812 15.8101 -1.54332 -10.1283 -23.8156 -10.0169 7.73901 TIMING: 331000 CPU: 961.933, 0.00289375/step Wall: 961.933, 0.00289375/step, 3.75304 hours remaining, 203.187500 MB of memory in use. ENERGY: 331000 786.8406 2128.4140 1949.7224 117.8958 -206441.6415 18064.2591 0.0000 0.0000 34122.7882 -149271.7214 298.0028 -183394.5096 -149169.3995 298.2998 -134.0425 -102.0021 559705.1072 2.2558 2.2981 PRESSURE: 331200 48.4131 2.30159 -112.715 2.30175 301.843 -53.0595 -112.714 -53.0596 176.898 GPRESSURE: 331200 85.8001 8.08656 -115.989 37.882 335.948 -87.7875 -59.5457 -87.7243 209.803 PRESSAVG: 331200 3.49283 -0.552437 36.8326 -0.552514 -34.3389 4.67092 36.8326 4.67108 16.0997 GPRESSAVG: 331200 4.18776 0.0575281 35.0985 -4.32384 -34.0125 4.93975 38.1454 3.40334 15.2774 TIMING: 331200 CPU: 962.52, 0.00293638/step Wall: 962.52, 0.00293637/step, 3.80815 hours remaining, 203.257812 MB of memory in use. ENERGY: 331200 721.2323 2099.7283 1953.2479 113.9653 -206638.4758 18252.3174 0.0000 0.0000 34352.1434 -149145.8412 300.0058 -183497.9846 -149047.8845 298.5464 175.7183 210.5173 558703.2761 -4.9154 -4.8491 PRESSURE: 331400 152.358 -82.6636 127.924 -82.6646 231.622 -159.885 127.923 -159.885 44.4021 GPRESSURE: 331400 224.063 -46.5823 118.766 -103.093 270.494 -183.443 133.68 -134.323 32.1449 PRESSAVG: 331400 -12.1425 -35.0145 49.4691 -35.0145 18.4166 4.56627 49.469 4.56625 0.815541 GPRESSAVG: 331400 -12.6389 -33.7414 49.5689 -35.2398 18.8761 4.96913 49.1311 4.64736 1.16804 TIMING: 331400 CPU: 963.099, 0.00289461/step Wall: 963.099, 0.00289461/step, 3.75382 hours remaining, 203.257812 MB of memory in use. ENERGY: 331400 766.2800 2122.9439 1967.9559 130.7420 -206622.1551 18191.5114 0.0000 0.0000 34327.0225 -149115.6992 299.7864 -183442.7217 -149013.5260 299.2058 142.7937 175.5670 558363.0605 2.3632 2.4684 PRESSURE: 331600 106.918 29.505 66.2387 29.5066 -262.546 -72.1768 66.2378 -72.1752 318.89 GPRESSURE: 331600 73.9943 75.0324 93.1359 20.6318 -187.552 -76.8096 60.0081 -150.283 367.121 PRESSAVG: 331600 43.5071 30.8777 38.681 30.8776 -28.8555 -42.6736 38.6809 -42.6735 -21.809 GPRESSAVG: 331600 44.1925 28.6632 38.7534 34.3007 -28.9698 -40.8465 39.2422 -44.925 -22.4005 TIMING: 331600 CPU: 963.676, 0.0028858/step Wall: 963.676, 0.0028858/step, 3.74225 hours remaining, 203.257812 MB of memory in use. ENERGY: 331600 733.6066 2035.7393 1969.6469 113.8564 -206217.2126 17849.1544 0.0000 0.0000 34277.4454 -149237.7636 299.3535 -183515.2090 -149139.7019 299.1366 54.4207 84.5210 557162.4770 -2.3858 -2.3926 PRESSURE: 331800 -288.785 95.5653 -49.5355 95.565 -64.8884 22.6022 -49.5358 22.6004 -94.9013 GPRESSURE: 331800 -276.556 30.8885 -23.0221 98.0001 43.7099 -15.8174 -76.7906 -21.6026 -121.821 PRESSAVG: 331800 -0.861881 -29.02 23.8182 -29.02 6.10762 1.93083 23.8182 1.93071 -16.087 GPRESSAVG: 331800 -0.520756 -26.7479 22.4747 -30.8365 5.87852 0.214255 22.0011 4.00956 -15.887 TIMING: 331800 CPU: 964.255, 0.00289341/step Wall: 964.255, 0.00289341/step, 3.75195 hours remaining, 203.257812 MB of memory in use. ENERGY: 331800 785.0697 2103.7943 1961.8518 110.8879 -205865.1192 17469.7671 0.0000 0.0000 33994.2851 -149439.4633 296.8805 -183433.7485 -149345.6407 298.3229 -149.5250 -118.2224 556873.6526 -3.6138 -3.5098 PRESSURE: 332000 -109.395 -46.2695 65.0102 -46.2698 -96.5223 24.1942 65.0093 24.1932 -56.4783 GPRESSURE: 332000 -113.496 -87.3288 83.1608 65.2102 -67.2494 24.6339 82.2297 21.908 12.2806 PRESSAVG: 332000 3.59244 0.621312 1.55506 0.621257 34.5222 28.2921 1.55498 28.2922 -22.475 GPRESSAVG: 332000 2.59568 0.359185 0.459951 1.12401 34.9355 28.3866 3.74714 27.5843 -21.7008 TIMING: 332000 CPU: 964.833, 0.00289356/step Wall: 964.833, 0.00289356/step, 3.75198 hours remaining, 203.257812 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: 332000 753.3674 2064.3183 1960.4975 110.4555 -206216.4816 17697.1681 0.0000 0.0000 34160.3014 -149470.3733 298.3304 -183630.6747 -149375.2523 298.4260 -87.4652 -56.1548 556007.1268 5.2132 5.2768 PRESSURE: 332200 103.996 -87.0805 180.343 -87.0809 -135.03 122.29 180.343 122.291 203.418 GPRESSURE: 332200 157.289 -66.5139 212.3 -129.241 -136.675 147.976 162.259 6.37634 256.532 PRESSAVG: 332200 16.2651 19.6835 23.1425 19.6834 14.1415 17.1624 23.1424 17.1624 -43.1637 GPRESSAVG: 332200 16.2481 20.0108 24.2231 20.1747 13.47 16.8916 22.9068 16.6416 -42.5896 TIMING: 332200 CPU: 965.414, 0.00290451/step Wall: 965.414, 0.00290451/step, 3.76603 hours remaining, 203.257812 MB of memory in use. ENERGY: 332200 750.1639 2115.9098 1954.6477 115.8589 -206523.2562 17934.4371 0.0000 0.0000 34116.9248 -149535.3140 297.9516 -183652.2388 -149440.9766 297.9340 57.4614 92.3819 557099.2083 -4.2524 -4.2905 LDB: ============= START OF LOAD BALANCING ============== 968.88 LDB: ============== END OF LOAD BALANCING =============== 968.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 968.881 LDB: ============= START OF LOAD BALANCING ============== 969.172 LDB: Largest compute 4820 load 0.028400 is 24.2% of average load 0.117471 LDB: Average compute 0.001743 is 1.5% of average load 0.117471 LDB: TIME 969.174 LOAD: AVG 0.117471 MAX 0.174964 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.766 MB LDB: TIME 969.174 LOAD: AVG 0.117471 MAX 0.174964 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.801 MB LDB: TIME 969.174 LOAD: AVG 0.117471 MAX 0.174964 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.801 MB LDB: ============== END OF LOAD BALANCING =============== 969.176 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 969.18 PRESSURE: 332400 -37.738 172.152 -86.4337 172.151 55.7069 148.072 -86.433 148.072 224.816 GPRESSURE: 332400 18.0391 227.4 -110.087 133.196 70.3423 167.353 -62.2409 169.211 256.451 PRESSAVG: 332400 -20.3186 12.0184 -10.6119 12.0184 41.488 -49.2635 -10.612 -49.2635 -11.9385 GPRESSAVG: 332400 -19.9799 12.13 -10.1233 11.7578 42.4916 -47.7461 -11.218 -47.1859 -13.1496 TIMING: 332400 CPU: 966.005, 0.00295244/step Wall: 966.005, 0.00295244/step, 3.828 hours remaining, 204.468750 MB of memory in use. ENERGY: 332400 714.5476 2096.5147 1970.1596 115.1938 -206703.4839 18054.7219 0.0000 0.0000 34239.7396 -149512.6066 299.0242 -183752.3462 -149411.9706 298.2901 80.9283 114.9441 555266.0189 3.0770 3.1207 PRESSURE: 332600 -41.2681 19.1043 -29.5112 19.1038 31.6006 6.10918 -29.5116 6.10979 -203.871 GPRESSURE: 332600 -56.8637 -38.1528 -62.105 -20.3891 118.212 54.9224 26.7923 -17.0792 -165.891 PRESSAVG: 332600 35.5995 14.3437 15.1717 14.3437 -13.5515 61.1568 15.1718 61.1569 -49.6517 GPRESSAVG: 332600 36.1654 13.3279 15.663 15.9817 -14.8656 58.4721 15.1471 61.4037 -49.7897 TIMING: 332600 CPU: 966.581, 0.00287994/step Wall: 966.581, 0.00287994/step, 3.73384 hours remaining, 204.667969 MB of memory in use. ENERGY: 332600 745.9920 2101.7390 1995.6772 116.8979 -206021.4929 17625.8247 0.0000 0.0000 33957.0840 -149478.2780 296.5557 -183435.3620 -149382.8470 299.1651 -71.1795 -34.8474 556431.4969 -9.2012 -9.4966 PRESSURE: 332800 -62.9778 -122.464 29.7636 -122.463 -113.644 -12.1212 29.7627 -12.1196 -16.5946 GPRESSURE: 332800 -29.7916 -153.272 40.7179 -155.291 -75.5037 114.409 76.4904 -70.8009 6.13803 PRESSAVG: 332800 -1.26794 -21.6573 20.3199 -21.6573 19.2431 -14.7806 20.3199 -14.7806 22.6714 GPRESSAVG: 332800 -2.13781 -21.1795 20.5447 -24.546 20.3437 -15.4745 20.0213 -14.7172 22.6517 TIMING: 332800 CPU: 967.161, 0.0029031/step Wall: 967.161, 0.0029031/step, 3.76371 hours remaining, 205.015625 MB of memory in use. ENERGY: 332800 748.4309 2126.8637 1961.8395 119.4057 -206366.5040 17781.4526 0.0000 0.0000 34125.6995 -149502.8121 298.0282 -183628.5117 -149413.3972 298.5631 -64.4054 -33.0524 556011.8729 13.5489 13.6192 PRESSURE: 333000 -122.909 2.58198 154.383 2.58076 -79.5435 -118.542 154.382 -118.542 -224.53 GPRESSURE: 333000 -87.9781 16.2783 147.794 42.137 -86.5072 -164.524 220.53 -136.031 -164.05 PRESSAVG: 333000 -3.96552 7.69096 35.0596 7.69097 -22.3132 -56.9832 35.0596 -56.9832 6.90529 GPRESSAVG: 333000 -2.61868 6.86472 35.1267 8.07695 -24.1106 -55.7322 34.3885 -56.7155 7.35303 TIMING: 333000 CPU: 967.742, 0.00290257/step Wall: 967.742, 0.00290257/step, 3.76286 hours remaining, 205.015625 MB of memory in use. ENERGY: 333000 701.8003 2107.3562 1964.3074 125.4566 -206172.9707 17668.0086 0.0000 0.0000 34234.1970 -149371.8447 298.9758 -183606.0417 -149270.9935 298.4998 -142.3276 -112.8452 557440.5670 -6.4578 -6.4588 PRESSURE: 333200 -39.9968 12.3414 -14.4261 12.3411 138.468 77.2728 -14.426 77.2718 48.4973 GPRESSURE: 333200 -3.75714 19.1549 -40.762 55.8181 153.838 60.6147 -20.0273 88.309 90.6716 PRESSAVG: 333200 36.6986 47.3244 54.3094 47.3244 -39.381 -40.2913 54.3093 -40.2914 -5.09186 GPRESSAVG: 333200 36.2003 50.5089 53.7323 47.498 -38.1385 -39.7883 55.4433 -42.2359 -5.38101 TIMING: 333200 CPU: 968.332, 0.00294868/step Wall: 968.332, 0.00294868/step, 3.82247 hours remaining, 205.015625 MB of memory in use. ENERGY: 333200 740.6138 2059.4797 1962.6745 115.8886 -206082.2875 17765.6207 0.0000 0.0000 34002.9868 -149435.0234 296.9565 -183438.0102 -149336.9432 298.4735 48.9894 80.2510 557657.9744 -2.5914 -2.4397 PRESSURE: 333400 57.1382 -113.711 -191.541 -113.71 -27.3359 117.79 -191.54 117.788 59.164 GPRESSURE: 333400 132.194 -186.187 -168.834 -31.9897 -3.4428 165.738 -136.412 151.166 62.5686 PRESSAVG: 333400 0.980095 32.8655 10.1291 32.8655 7.78211 -35.4949 10.129 -35.4948 15.2777 GPRESSAVG: 333400 1.84608 30.6097 11.5196 31.2338 6.54445 -36.977 7.61208 -33.4982 15.4621 TIMING: 333400 CPU: 968.914, 0.00291122/step Wall: 968.914, 0.00291122/step, 3.77375 hours remaining, 205.015625 MB of memory in use. ENERGY: 333400 744.7802 2118.8012 1992.6127 112.2968 -206406.5450 17796.6365 0.0000 0.0000 34242.2793 -149399.1383 299.0463 -183641.4176 -149296.9717 298.5083 29.6554 63.7732 557161.7869 8.0133 7.9509 PRESSURE: 333600 -112.163 -177.105 2.56271 -177.105 -2.58786 -4.23739 2.56134 -4.23678 -146.355 GPRESSURE: 333600 -9.32697 -169.753 56.2156 -284.75 -29.8144 -76.8056 -63.8934 59.3028 -125.032 PRESSAVG: 333600 -84.2877 -54.1847 -44.8663 -54.1846 -13.3117 -16.02 -44.8663 -16.02 96.7787 GPRESSAVG: 333600 -84.627 -52.5326 -47.1291 -53.7589 -12.6887 -16.3634 -44.4239 -16.6489 96.7412 TIMING: 333600 CPU: 969.487, 0.00286806/step Wall: 969.487, 0.00286805/step, 3.71764 hours remaining, 205.015625 MB of memory in use. ENERGY: 333600 749.0564 2097.2089 1975.6595 111.1651 -206395.9405 17682.7845 0.0000 0.0000 34253.8491 -149526.2170 299.1474 -183780.0661 -149424.0238 298.7847 -87.0351 -54.7245 557602.7850 -0.2736 -0.1915 PRESSURE: 333800 223.811 -119.276 -113.023 -119.277 204.541 -61.686 -113.022 -61.6855 -46.9975 GPRESSURE: 333800 194.741 -207.029 -125.954 -17.1783 268.947 -72.0107 -20.2197 -75.0092 21.1895 PRESSAVG: 333800 4.51142 -55.4332 -32.227 -55.4332 35.029 -9.80603 -32.227 -9.80605 -26.3814 GPRESSAVG: 333800 5.36116 -58.5643 -31.8602 -52.1287 34.604 -9.03231 -30.4785 -10.9621 -26.1676 TIMING: 333800 CPU: 970.065, 0.00288778/step Wall: 970.065, 0.00288778/step, 3.74304 hours remaining, 205.015625 MB of memory in use. ENERGY: 333800 731.4894 2115.4485 1991.9437 108.5074 -206643.4430 17892.5503 0.0000 0.0000 34244.8109 -149558.6928 299.0685 -183803.5037 -149463.9376 298.4273 127.1180 161.6261 554967.9479 4.3863 4.5992 PRESSURE: 334000 1.66545 -85.1612 -1.52309 -85.1611 -124.863 181.199 -1.52266 181.2 -207.117 GPRESSURE: 334000 68.1829 1.58598 -35.3756 -91.0741 -121.712 144.052 0.43958 122.835 -186.311 PRESSAVG: 334000 -23.703 -22.821 59.7984 -22.821 36.3841 41.073 59.7984 41.073 24.4837 GPRESSAVG: 334000 -24.3359 -20.1303 60.0403 -25.6296 38.2326 40.0271 58.0479 43.9606 23.262 TIMING: 334000 CPU: 970.653, 0.00294087/step Wall: 970.653, 0.00294087/step, 3.81169 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 334000 722.6662 2119.5505 1959.7786 106.7812 -206220.0929 17617.1504 0.0000 0.0000 34278.0925 -149416.0735 299.3591 -183694.1659 -149320.1205 299.1722 -110.1050 -79.9467 556548.1910 12.3883 12.3863 PRESSURE: 334200 -49.0503 3.26412 -50.1669 3.26373 -87.3877 -17.9859 -50.1676 -17.987 128.981 GPRESSURE: 334200 -12.5894 2.29603 -85.3606 36.448 -129.791 -114.829 -52.6286 30.7435 234.163 PRESSAVG: 334200 36.464 -32.0439 23.2281 -32.0438 -61.3196 -8.77975 23.2282 -8.77977 36.0577 GPRESSAVG: 334200 35.8776 -33.565 23.7355 -32.3291 -61.9088 -7.60307 23.7668 -9.68901 37.4207 TIMING: 334200 CPU: 971.239, 0.00292797/step Wall: 971.239, 0.00292797/step, 3.79481 hours remaining, 205.027344 MB of memory in use. ENERGY: 334200 745.3216 2071.7255 1947.2943 99.2804 -206184.0148 17751.8702 0.0000 0.0000 34203.2153 -149365.3074 298.7052 -183568.5227 -149267.0248 298.8466 -2.4856 30.5941 557518.9482 3.7340 3.7965 PRESSURE: 334400 13.2758 -41.1683 -52.3979 -41.1688 100.221 -19.4286 -52.3988 -19.4288 75.0772 GPRESSURE: 334400 73.1141 -190.465 -47.9867 83.8048 160.157 -40.3759 -66.5107 -27.764 53.7667 PRESSAVG: 334400 5.15104 30.1529 -1.43503 30.1529 26.9182 9.664 -1.43506 9.66396 1.06756 GPRESSAVG: 334400 5.60235 28.9234 -0.41054 29.8626 27.8914 9.48872 -3.37034 9.51899 -0.669484 TIMING: 334400 CPU: 971.82, 0.00290395/step Wall: 971.82, 0.00290395/step, 3.76352 hours remaining, 205.027344 MB of memory in use. ENERGY: 334400 764.3364 2110.2961 1964.9198 108.9719 -206702.8492 18106.9717 0.0000 0.0000 34220.3073 -149427.0459 298.8545 -183647.3531 -149328.8380 298.8183 62.8582 95.6794 558084.4702 11.0456 10.9414 PRESSURE: 334600 -4.16566 -53.1973 43.8327 -53.1972 -72.7082 63.7075 43.8331 63.7075 -268.633 GPRESSURE: 334600 43.7346 3.97477 34.1684 -31.5028 -55.1876 14.0769 88.5902 59.0702 -251.181 PRESSAVG: 334600 9.69207 34.3917 10.4217 34.3917 41.7751 60.5512 10.4217 60.5511 -54.4824 GPRESSAVG: 334600 9.81004 37.077 10.4028 33.8149 41.7525 61.2015 11.7103 61.0899 -54.5253 TIMING: 334600 CPU: 972.403, 0.00291909/step Wall: 972.403, 0.00291909/step, 3.78298 hours remaining, 205.027344 MB of memory in use. ENERGY: 334600 717.7164 2106.3970 1947.6481 114.8365 -206290.9016 17719.0899 0.0000 0.0000 34219.8128 -149465.4009 298.8501 -183685.2137 -149362.3102 297.6887 -115.1690 -87.5446 557250.2934 -1.0051 -0.9876 PRESSURE: 334800 70.9372 1.63433 68.2464 1.63482 106.121 -132.911 68.2465 -132.912 -40.0469 GPRESSURE: 334800 139.564 -43.1825 19.5859 -30.8785 118.991 -97.6132 -13.3695 -61.9528 -22.2637 PRESSAVG: 334800 70.5006 -11.4569 -29.1462 -11.4568 -7.02627 16.8827 -29.1462 16.8828 -79.8495 GPRESSAVG: 334800 70.2192 -15.0751 -30.5232 -8.85852 -8.94339 16.7076 -29.6834 15.6342 -78.1808 TIMING: 334800 CPU: 972.99, 0.00293352/step Wall: 972.99, 0.00293352/step, 3.80151 hours remaining, 205.027344 MB of memory in use. ENERGY: 334800 771.9597 2052.5259 1986.4597 137.1940 -206514.8617 17953.6267 0.0000 0.0000 34244.9702 -149368.1256 299.0698 -183613.0958 -149264.6440 297.2772 45.6705 78.7638 557126.3235 -5.4584 -5.6350 PRESSURE: 335000 -40.274 68.1111 83.9521 68.1114 -27.9969 55.2233 83.9527 55.2231 -62.9201 GPRESSURE: 335000 -15.035 -30.6993 56.5128 70.158 17.1151 87.0027 94.0281 71.6919 -27.0062 PRESSAVG: 335000 5.91629 13.7068 -14.8991 13.7067 38.432 52.5839 -14.8989 52.5837 -79.5247 GPRESSAVG: 335000 6.4609 14.8313 -16.0235 12.3093 38.7369 53.9298 -12.9683 53.9391 -80.5442 TIMING: 335000 CPU: 973.571, 0.00290235/step Wall: 973.571, 0.00290235/step, 3.76096 hours remaining, 205.027344 MB of memory in use. ENERGY: 335000 758.0433 2122.7256 1989.0812 106.4857 -206372.2925 17923.1799 0.0000 0.0000 34068.0697 -149404.7072 297.5249 -183472.7769 -149308.2271 298.5839 -43.7303 -8.3087 556779.7380 -11.7254 -11.7821 PRESSURE: 335200 332.593 -39.2912 -14.0586 -39.2911 276.139 57.2195 -14.0599 57.2212 366.879 GPRESSURE: 335200 359.671 -57.8308 -97.5679 -1.40264 317.485 -24.556 -37.145 157.029 394.192 PRESSAVG: 335200 5.22657 -60.407 -16.9188 -60.407 -39.6905 -3.6712 -16.9188 -3.67125 29.4983 GPRESSAVG: 335200 5.2011 -58.4608 -15.9056 -61.8955 -40.5061 -4.15663 -16.1811 -5.71505 30.4807 TIMING: 335200 CPU: 974.149, 0.0028909/step Wall: 974.149, 0.0028909/step, 3.74597 hours remaining, 205.027344 MB of memory in use. ENERGY: 335200 753.3071 2074.1582 2007.4903 120.5505 -206888.5273 18354.2712 0.0000 0.0000 34266.4528 -149312.2972 299.2575 -183578.7499 -149215.7786 298.7812 325.2035 357.1159 556722.8600 -1.6552 -1.6081 PRESSURE: 335400 -123.177 13.3552 149.655 13.3568 -70.9404 79.4716 149.656 79.4712 -188.266 GPRESSURE: 335400 -123.309 61.592 69.6853 -123.096 -30.687 4.99828 209.197 51.1417 -142.73 PRESSAVG: 335400 68.443 4.62062 -22.4007 4.62068 -52.2294 -26.3938 -22.4006 -26.3937 15.6655 GPRESSAVG: 335400 66.9453 4.36035 -22.797 4.28616 -50.8016 -27.2985 -23.9678 -25.5841 15.8521 TIMING: 335400 CPU: 974.729, 0.00290152/step Wall: 974.729, 0.00290152/step, 3.75956 hours remaining, 205.027344 MB of memory in use. ENERGY: 335400 774.7192 2112.9258 1995.4203 122.1614 -206262.3862 17763.6027 0.0000 0.0000 34272.2230 -149221.3338 299.3078 -183493.5569 -149121.8256 299.0253 -127.4612 -98.9088 557591.1191 10.6264 10.6653 PRESSURE: 335600 28.7193 -36.5071 -121.134 -36.5076 -405.685 -124.578 -121.133 -124.578 -17.6831 GPRESSURE: 335600 38.4952 18.5934 -38.1307 -155.154 -377.154 -140.979 -117.298 -117.519 39.7376 PRESSAVG: 335600 -50.1345 -1.93299 -51.7952 -1.93301 0.987924 36.827 -51.7952 36.8268 5.04791 GPRESSAVG: 335600 -49.36 -2.48133 -50.3883 0.23928 0.786702 35.7768 -52.6011 38.1047 4.75071 TIMING: 335600 CPU: 975.31, 0.00290686/step Wall: 975.31, 0.00290686/step, 3.76632 hours remaining, 205.027344 MB of memory in use. ENERGY: 335600 745.4089 2086.8461 1972.4960 136.8429 -206189.5779 17605.7651 0.0000 0.0000 34288.7010 -149353.5179 299.4518 -183642.2189 -149249.9006 298.6363 -131.5495 -99.6403 556671.1446 -14.6995 -14.6075 PRESSURE: 335800 -23.9964 -6.95397 68.8176 -6.95368 -61.8452 42.8791 68.8178 42.8801 -81.0659 GPRESSURE: 335800 -1.90985 31.8894 23.1179 -24.9458 -33.5885 53.1358 61.4773 24.2451 -43.1291 PRESSAVG: 335800 24.8252 1.47806 45.411 1.47804 -54.2614 -2.74707 45.411 -2.74714 10.8692 GPRESSAVG: 335800 25.7139 0.49407 45.7943 2.1636 -55.5383 0.548008 45.775 -2.68564 11.1809 TIMING: 335800 CPU: 975.891, 0.00290451/step Wall: 975.891, 0.00290451/step, 3.76312 hours remaining, 205.027344 MB of memory in use. ENERGY: 335800 722.5247 2063.2560 1999.3672 111.5340 -206183.8201 17788.2101 0.0000 0.0000 34146.5642 -149352.3640 298.2104 -183498.9281 -149258.1830 298.7241 -55.6358 -26.2091 558415.4961 -6.1890 -6.2145 PRESSURE: 336000 -206.936 -103.997 8.57767 -103.997 -229.514 -114.661 8.57753 -114.661 -163.234 GPRESSURE: 336000 -183.07 -110.238 -10.8474 -77.3774 -167.476 -127.813 -30.4972 -138.154 -157.257 PRESSAVG: 336000 32.8742 -14.3507 -1.10906 -14.3507 -11.9226 9.77262 -1.10902 9.77262 -15.1785 GPRESSAVG: 336000 32.7979 -12.38 -2.82349 -15.8327 -11.6278 8.12474 0.626136 9.5124 -15.4563 TIMING: 336000 CPU: 976.475, 0.00291663/step Wall: 976.475, 0.00291663/step, 3.77866 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 336000 744.7899 2086.6914 1986.2512 112.2076 -205852.0844 17614.5071 0.0000 0.0000 33893.2515 -149414.3857 295.9982 -183307.6372 -149315.5922 298.3773 -199.8948 -169.2679 558367.1785 1.9244 1.9046 PRESSURE: 336200 -266.135 19.3061 1.08783 19.3051 -95.386 64.3955 1.08749 64.3934 89.4332 GPRESSURE: 336200 -295.377 -1.60334 -1.91103 -2.16454 -35.4007 -17.3085 60.2766 43.2825 154.682 PRESSAVG: 336200 13.1967 -0.449633 -28.1592 -0.449778 -48.6638 18.0798 -28.1592 18.0798 19.4006 GPRESSAVG: 336200 12.4612 -2.42517 -27.1092 3.52651 -48.0238 16.6759 -31.4163 17.5954 19.267 TIMING: 336200 CPU: 977.063, 0.00294407/step Wall: 977.063, 0.00294407/step, 3.81404 hours remaining, 205.027344 MB of memory in use. ENERGY: 336200 791.5378 2039.3671 2017.0838 107.9959 -206270.8888 17899.8999 0.0000 0.0000 33961.2267 -149453.7776 296.5918 -183415.0043 -149364.5471 298.7827 -90.6958 -58.6983 557827.1884 -5.3555 -5.4319 LDB: ============= START OF LOAD BALANCING ============== 980.532 LDB: ============== END OF LOAD BALANCING =============== 980.533 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 980.534 LDB: ============= START OF LOAD BALANCING ============== 980.825 LDB: Largest compute 4820 load 0.029566 is 25.2% of average load 0.117530 LDB: Average compute 0.001741 is 1.5% of average load 0.117530 LDB: TIME 980.827 LOAD: AVG 0.11753 MAX 0.177279 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.449 MB LDB: TIME 980.828 LOAD: AVG 0.11753 MAX 0.177279 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.688 MB LDB: TIME 980.828 LOAD: AVG 0.11753 MAX 0.177279 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.688 MB LDB: ============== END OF LOAD BALANCING =============== 980.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 980.834 PRESSURE: 336400 -45.3047 -100.666 106.067 -100.666 -129.908 -127.333 106.067 -127.332 -125.381 GPRESSURE: 336400 16.105 -36.1543 182.958 -170.135 -128.44 -154.509 47.8619 -109.519 -102.247 PRESSAVG: 336400 45.6907 -22.3619 -7.50872 -22.362 18.4027 -50.3936 -7.50876 -50.3936 -35.5613 GPRESSAVG: 336400 46.2591 -22.4729 -7.67478 -25.033 17.2439 -50.4227 -5.92583 -48.6552 -34.8883 TIMING: 336400 CPU: 977.659, 0.00297524/step Wall: 977.659, 0.00297524/step, 3.85426 hours remaining, 202.226562 MB of memory in use. ENERGY: 336400 734.8389 2122.3719 1962.9526 116.0030 -206454.4608 17803.4134 0.0000 0.0000 34272.3933 -149442.4877 299.3093 -183714.8810 -149342.4252 298.5616 -100.1979 -71.5273 557268.3205 9.5107 9.5382 PRESSURE: 336600 -10.1193 37.3466 -251.685 37.3455 98.4893 -85.7966 -251.684 -85.7971 88.3204 GPRESSURE: 336600 -5.38134 49.5247 -300.424 29.215 154.338 -143.838 -278.01 -52.7186 115.698 PRESSAVG: 336600 57.9775 -1.79904 -26.746 -1.79906 20.0543 21.4717 -26.746 21.4718 -64.2811 GPRESSAVG: 336600 57.6011 -0.876369 -26.0553 -0.566091 22.0186 22.8645 -27.3082 20.0652 -65.802 TIMING: 336600 CPU: 978.241, 0.00291264/step Wall: 978.241, 0.00291264/step, 3.773 hours remaining, 202.429688 MB of memory in use. ENERGY: 336600 747.5759 2110.8927 1999.9228 114.2738 -206326.2184 17812.0707 0.0000 0.0000 34019.7357 -149521.7468 297.1028 -183541.4825 -149429.9578 298.8977 58.8968 88.2182 556894.8862 4.5836 4.6059 PRESSURE: 336800 238.759 -89.5676 206.22 -89.5684 50.484 243.508 206.22 243.506 305.093 GPRESSURE: 336800 222.569 -52.082 193.888 -91.3872 165.77 329.925 274.868 155.68 304.647 PRESSAVG: 336800 41.0149 21.7654 -12.8237 21.7654 -60.8865 31.297 -12.8237 31.297 15.1967 GPRESSAVG: 336800 41.8248 23.3723 -14.6047 19.7766 -61.6255 29.8071 -13.8734 30.6816 16.0616 TIMING: 336800 CPU: 978.822, 0.00290614/step Wall: 978.822, 0.00290614/step, 3.76442 hours remaining, 202.429688 MB of memory in use. ENERGY: 336800 702.9350 2095.8815 2005.9943 108.9177 -206804.3791 18088.5648 0.0000 0.0000 34374.2429 -149427.8429 300.1988 -183802.0858 -149328.1015 298.9318 198.1120 230.9955 556255.5204 -1.5583 -1.2464 PRESSURE: 337000 -82.2145 -85.6542 51.5966 -85.6544 159.095 22.8198 51.5975 22.8192 -79.5125 GPRESSURE: 337000 -59.581 -66.4395 28.9079 -72.0765 176.804 54.1338 40.7665 90.1911 -30.5905 PRESSAVG: 337000 27.2762 -50.7839 27.2681 -50.7839 -2.09994 43.6617 27.2681 43.6617 -6.65325 GPRESSAVG: 337000 26.5037 -51.1813 27.1353 -50.6026 -1.48391 44.3479 29.447 44.5659 -6.28497 TIMING: 337000 CPU: 979.408, 0.0029274/step Wall: 979.408, 0.0029274/step, 3.7918 hours remaining, 202.429688 MB of memory in use. ENERGY: 337000 755.7505 2090.8072 1979.3015 123.3958 -206531.4917 17836.9768 0.0000 0.0000 34279.7295 -149465.5305 299.3734 -183745.2600 -149365.2876 299.3146 -0.8773 28.8776 555221.5366 6.1743 6.2449 PRESSURE: 337200 54.7713 -75.0853 -126.444 -75.0834 123.149 -125.69 -126.445 -125.69 39.411 GPRESSURE: 337200 82.9673 -24.1951 -137.661 -134.01 143.268 -107.586 -108.522 -113.406 87.4553 PRESSAVG: 337200 36.2499 -2.41356 8.57944 -2.41361 32.7755 -31.7862 8.57948 -31.786 -72.1992 GPRESSAVG: 337200 36.8053 -3.00267 9.67469 -1.15499 32.0011 -30.5893 6.56658 -34.4658 -72.9028 TIMING: 337200 CPU: 979.99, 0.00290997/step Wall: 979.99, 0.00290997/step, 3.76906 hours remaining, 202.429688 MB of memory in use. ENERGY: 337200 784.8024 2117.7892 1976.8410 112.9713 -206574.3907 18147.4759 0.0000 0.0000 34177.5711 -149256.9398 298.4812 -183434.5109 -149160.4500 299.1400 72.4439 104.5635 556008.4778 -1.0579 -1.3655 PRESSURE: 337400 120.487 -38.3924 76.5976 -38.391 175.745 -75.588 76.5981 -75.5882 45.9888 GPRESSURE: 337400 195.961 -71.2401 92.4593 -29.2223 255.767 -89.5046 92.0564 0.107711 -17.5904 PRESSAVG: 337400 1.42013 -10.5206 45.2103 -10.5206 -20.1931 -86.0006 45.2104 -86.0007 22.0606 GPRESSAVG: 337400 2.62816 -11.1958 46.4964 -10.7021 -19.0612 -87.5545 45.8222 -85.0008 20.1223 TIMING: 337400 CPU: 980.573, 0.00291654/step Wall: 980.573, 0.00291654/step, 3.77741 hours remaining, 202.429688 MB of memory in use. ENERGY: 337400 717.2311 2124.1061 1993.2290 120.8416 -206612.6755 18001.6316 0.0000 0.0000 34441.8721 -149213.7641 300.7894 -183655.6362 -149123.4761 299.8815 114.0737 144.7123 555886.1036 1.0959 1.2298 PRESSURE: 337600 -180.619 49.7051 122.625 49.7059 51.8572 -5.18154 122.625 -5.18282 -207.216 GPRESSURE: 337600 -169.688 -8.36101 62.137 74.4917 146.853 -89.6878 104.561 63.8935 -208.244 PRESSAVG: 337600 54.9457 -29.2758 37.7442 -29.2757 42.5488 -39.8984 37.7442 -39.8985 -73.2376 GPRESSAVG: 337600 53.2875 -28.0371 37.7693 -31.1192 42.7592 -39.5872 36.2597 -38.6992 -72.5376 TIMING: 337600 CPU: 981.157, 0.00292109/step Wall: 981.157, 0.00292109/step, 3.78314 hours remaining, 202.429688 MB of memory in use. ENERGY: 337600 750.8494 2080.7168 2005.3786 117.9576 -206053.7674 17608.3858 0.0000 0.0000 34427.3783 -149063.1009 300.6629 -183490.4792 -148963.9816 300.0595 -111.9924 -77.0261 556741.5513 8.0856 7.8364 PRESSURE: 337800 87.2283 -60.0665 128.194 -60.0661 246.664 31.9034 128.195 31.9024 94.0352 GPRESSURE: 337800 126.684 -46.3187 81.5386 -116.995 294.346 109.559 125.714 76.4366 109.397 PRESSAVG: 337800 4.58268 -69.9764 -3.88536 -69.9764 3.36482 49.9094 -3.88535 49.9093 -27.6623 GPRESSAVG: 337800 5.98423 -70.8638 -6.63454 -69.2669 1.39162 50.814 -1.91902 48.9485 -26.555 TIMING: 337800 CPU: 981.735, 0.00288631/step Wall: 981.735, 0.00288631/step, 3.73793 hours remaining, 202.429688 MB of memory in use. ENERGY: 337800 809.6667 2069.9392 1983.6651 115.2700 -206410.5673 17996.8863 0.0000 0.0000 34203.7932 -149231.3468 298.7102 -183435.1400 -149142.8568 299.3325 142.6425 176.8092 555222.5471 -6.5716 -6.3931 PRESSURE: 338000 -268.598 -4.92458 66.2165 -4.92333 -89.148 85.9146 66.2171 85.9161 51.715 GPRESSURE: 338000 -260.088 -124.959 79.5082 43.3114 -32.1107 13.1426 41.8391 110.281 86.5468 PRESSAVG: 338000 15.663 -49.3801 -5.41442 -49.3801 -60.3078 1.91816 -5.41443 1.91816 72.029 GPRESSAVG: 338000 15.303 -50.0618 -2.76375 -48.2597 -59.4113 -0.877472 -5.66465 4.25126 71.0579 TIMING: 338000 CPU: 982.314, 0.00289667/step Wall: 982.314, 0.00289667/step, 3.75118 hours remaining, 202.429688 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: 338000 772.6236 2060.1100 1977.7088 116.4708 -206252.6161 17603.6609 0.0000 0.0000 34443.1862 -149278.8558 300.8009 -183722.0420 -149182.2493 299.8576 -102.0102 -68.5508 556732.8310 9.1281 8.9832 PRESSURE: 338200 -26.0227 43.6813 17.523 43.6807 -132.66 -43.6646 17.5248 -43.665 72.0569 GPRESSURE: 338200 0.539438 37.9093 19.2173 31.8312 -86.3699 11.5286 -42.7929 -5.92552 115.462 PRESSAVG: 338200 45.6269 24.4685 -20.4552 24.4685 -12.2077 11.6058 -20.4553 11.6058 10.9197 GPRESSAVG: 338200 45.2934 25.2061 -22.5677 26.0766 -12.0425 13.1077 -20.3813 9.2527 11.4442 TIMING: 338200 CPU: 982.893, 0.00289804/step Wall: 982.893, 0.00289804/step, 3.7528 hours remaining, 202.429688 MB of memory in use. ENERGY: 338200 760.1165 2083.8680 1994.6146 118.1694 -206236.5760 17723.3957 0.0000 0.0000 34337.5171 -149218.8946 299.8781 -183556.4118 -149128.2413 299.5957 -28.8753 9.8772 556769.2898 14.7796 14.8984 PRESSURE: 338400 -83.0383 -243.129 82.2491 -243.127 330.057 -85.1521 82.2486 -85.1528 6.20969 GPRESSURE: 338400 -14.561 -265.345 -14.7968 -244.055 315.677 -27.0932 182.976 -72.2707 50.113 PRESSAVG: 338400 6.68853 18.9281 66.4437 18.9281 14.5655 19.8317 66.4438 19.8317 -28.2912 GPRESSAVG: 338400 6.99929 17.9034 66.6789 17.349 14.6944 20.5809 67.9656 19.7292 -29.1499 TIMING: 338400 CPU: 983.476, 0.00291432/step Wall: 983.476, 0.00291432/step, 3.77371 hours remaining, 202.429688 MB of memory in use. ENERGY: 338400 740.4949 2084.2559 1981.9472 112.6420 -206628.3612 18208.4703 0.0000 0.0000 34212.6897 -149287.8612 298.7879 -183500.5509 -149192.7259 299.0058 84.4095 117.0762 557056.7370 -2.3457 -2.4854 PRESSURE: 338600 38.7708 -263.177 70.3754 -263.175 115.309 60.1742 70.3756 60.1743 10.5255 GPRESSURE: 338600 67.34 -333.593 116.07 -170.937 138.108 44.0424 25.6983 101.82 52.9335 PRESSAVG: 338600 -19.1208 -82.9234 -9.92888 -82.9235 -20.2461 -14.9332 -9.92894 -14.9332 -13.7885 GPRESSAVG: 338600 -19.7326 -80.7527 -7.66307 -82.5539 -19.3355 -14.2976 -12.6315 -15.551 -14.3495 TIMING: 338600 CPU: 984.06, 0.00291859/step Wall: 984.06, 0.00291859/step, 3.77909 hours remaining, 202.429688 MB of memory in use. ENERGY: 338600 732.5687 2100.4397 1973.0721 120.5247 -206274.3415 17852.8633 0.0000 0.0000 34060.6061 -149434.2670 297.4597 -183494.8731 -149339.2539 299.1925 54.8685 86.1271 557904.0538 -17.7184 -17.8059 PRESSURE: 338800 -130.908 11.8441 33.1779 11.8433 -302.278 89.8019 33.1776 89.8039 -319.495 GPRESSURE: 338800 -98.0916 11.5224 36.9832 36.589 -295.135 130.269 39.2889 65.1204 -269 PRESSAVG: 338800 26.9593 -16.4316 -5.04182 -16.4316 -60.3147 21.0113 -5.04179 21.0114 47.6228 GPRESSAVG: 338800 26.4344 -18.8776 -5.39146 -16.4827 -60.3191 20.9404 -4.26221 20.5327 47.8772 TIMING: 338800 CPU: 984.648, 0.00294197/step Wall: 984.648, 0.00294197/step, 3.8092 hours remaining, 202.429688 MB of memory in use. ENERGY: 338800 769.7030 2143.4876 1984.3785 107.3133 -206323.3937 17705.9290 0.0000 0.0000 34233.6310 -149378.9512 298.9708 -183612.5822 -149284.6352 298.9588 -250.8935 -220.7421 557881.6246 4.7558 4.6642 PRESSURE: 339000 -107.922 -95.1453 75.0962 -95.1449 -23.3751 20.2093 75.0962 20.2094 108.824 GPRESSURE: 339000 -52.5526 -74.0116 48.0048 -110.26 2.13588 -43.9659 12.2505 83.6139 121.487 PRESSAVG: 339000 -13.9617 23.3222 -4.1511 23.3222 -24.8328 23.8099 -4.15114 23.81 23.0176 GPRESSAVG: 339000 -14.02 24.5061 -4.41794 22.2462 -24.7805 24.5342 -3.74356 24.8822 23.0499 TIMING: 339000 CPU: 985.235, 0.00293284/step Wall: 985.235, 0.00293284/step, 3.79721 hours remaining, 202.429688 MB of memory in use. ENERGY: 339000 705.0995 2146.2935 1980.5856 115.0243 -206053.2985 17664.6558 0.0000 0.0000 33988.5708 -149453.0691 296.8306 -183441.6399 -149353.5123 298.8415 -7.4910 23.6902 558549.3340 -5.2589 -5.2502 PRESSURE: 339200 15.7866 283.971 87.1521 283.972 199.305 -66.7267 87.1523 -66.7254 182.884 GPRESSURE: 339200 77.1263 333.968 85.2068 201.563 197.251 -154.581 92.8453 -87.888 215.65 PRESSAVG: 339200 -10.1394 22.8613 -59.2339 22.8614 25.3466 7.62405 -59.2339 7.62417 18.8657 GPRESSAVG: 339200 -8.84393 23.4497 -59.2342 25.0668 25.0856 5.57675 -58.4587 6.37684 18.4005 TIMING: 339200 CPU: 985.813, 0.00289179/step Wall: 985.813, 0.00289179/step, 3.74391 hours remaining, 202.429688 MB of memory in use. ENERGY: 339200 741.3974 2142.9376 1984.1112 103.1933 -206650.9672 18105.3738 0.0000 0.0000 34036.1184 -149537.8355 297.2459 -183573.9540 -149448.0839 298.4922 132.6588 163.3424 556561.2965 11.3576 11.5474 PRESSURE: 339400 128.945 -92.1509 22.089 -92.15 19.6183 -28.5957 22.0891 -28.597 49.972 GPRESSURE: 339400 82.1622 19.0133 20.9954 -83.9964 130.872 40.1371 -19.6591 -65.7541 79.8493 PRESSAVG: 339400 11.3005 -36.6648 24.4719 -36.6648 0.420218 40.519 24.4719 40.5191 25.9166 GPRESSAVG: 339400 10.8641 -35.9131 22.398 -37.9293 -0.135324 42.8975 25.4257 40.2441 26.8181 TIMING: 339400 CPU: 986.394, 0.00290521/step Wall: 986.394, 0.00290521/step, 3.76112 hours remaining, 202.429688 MB of memory in use. ENERGY: 339400 739.2926 2078.6195 1968.4923 118.2485 -206440.1246 17848.3853 0.0000 0.0000 34073.1111 -149613.9754 297.5690 -183687.0865 -149521.7859 298.5455 66.1784 97.6277 555510.5919 12.5458 12.5156 PRESSURE: 339600 -108.393 55.3823 -62.7882 55.3818 -74.4191 -178.258 -62.7893 -178.258 -62.0829 GPRESSURE: 339600 -65.6472 99.2952 -33.89 -18.5335 -61.7383 -151.742 -39.34 -124.536 -27.5446 PRESSAVG: 339600 109.081 1.14891 -14.3199 1.14892 34.3025 51.1633 -14.3198 51.1634 -120.744 GPRESSAVG: 339600 107.662 -0.31349 -12.763 0.941533 35.5127 48.2333 -14.4662 53.2558 -120.898 TIMING: 339600 CPU: 986.977, 0.00291342/step Wall: 986.977, 0.00291342/step, 3.77159 hours remaining, 202.429688 MB of memory in use. ENERGY: 339600 734.9089 2108.5906 1977.0717 122.5320 -206780.3967 17759.9862 0.0000 0.0000 34126.8952 -149950.4120 298.0387 -184077.3073 -149855.7024 297.8713 -81.6317 -51.6434 556825.8780 7.5463 7.4256 PRESSURE: 339800 -24.9107 -264.12 -178.173 -264.122 44.9228 4.2819 -178.172 4.28084 -108.416 GPRESSURE: 339800 66.9483 -296.295 -57.2029 -172.693 57.5137 14.3957 -215.264 6.78386 -95.055 PRESSAVG: 339800 -23.1856 2.51478 -47.586 2.51487 58.2015 10.515 -47.586 10.515 -69.0384 GPRESSAVG: 339800 -21.5667 0.503386 -45.8729 3.01739 57.6754 11.3913 -47.9967 9.73376 -69.809 TIMING: 339800 CPU: 987.562, 0.00292194/step Wall: 987.562, 0.00292194/step, 3.78246 hours remaining, 202.429688 MB of memory in use. ENERGY: 339800 741.3924 2165.8749 1961.8393 113.9721 -206775.1781 17847.7704 0.0000 0.0000 34109.7422 -149834.5868 297.8889 -183944.3290 -149739.6308 297.2099 -29.4681 9.8023 555327.6575 -11.3408 -11.2335 PRESSURE: 340000 200.16 85.0864 -115.568 85.0854 173.502 -154.67 -115.569 -154.671 116.39 GPRESSURE: 340000 190.246 92.1158 -15.563 39.6573 310.702 -175.279 -143.699 -134.67 91.4246 PRESSAVG: 340000 15.9665 5.46083 9.46602 5.46087 -30.7017 -11.6978 9.46606 -11.6978 29.9719 GPRESSAVG: 340000 14.8958 7.64747 7.54142 5.30879 -30.4405 -10.3979 8.52706 -10.7725 30.9943 TIMING: 340000 CPU: 988.152, 0.00295283/step Wall: 988.152, 0.00295283/step, 3.82227 hours remaining, 202.429688 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: 340000 732.3362 2056.5205 1986.9935 102.9323 -206770.4809 18100.6915 0.0000 0.0000 34050.5049 -149740.5020 297.3715 -183791.0069 -149642.7930 298.1946 163.3509 197.4576 556995.6036 5.0789 5.1499 PRESSURE: 340200 79.0983 14.403 -71.8507 14.4039 -19.9792 -20.5689 -71.8505 -20.57 14.7943 GPRESSURE: 340200 81.1075 -43.8868 -31.4341 18.5006 35.3029 37.0237 -138.582 -94.4551 57.8637 PRESSAVG: 340200 -13.6993 -4.02303 14.065 -4.02314 -29.3885 20.5356 14.065 20.5357 38.7127 GPRESSAVG: 340200 -14.2311 -7.2492 14.1669 -3.73163 -29.276 21.2213 13.5219 19.5815 39.5957 TIMING: 340200 CPU: 988.736, 0.00291718/step Wall: 988.736, 0.00291718/step, 3.77596 hours remaining, 202.429688 MB of memory in use. ENERGY: 340200 727.0115 2109.4236 1958.0555 96.0083 -207007.1866 17987.9342 0.0000 0.0000 34389.9427 -149738.8107 300.3359 -184128.7534 -149636.7022 298.1235 24.6378 58.0914 556467.4743 -1.4584 -1.3038 LDB: ============= START OF LOAD BALANCING ============== 992.202 LDB: ============== END OF LOAD BALANCING =============== 992.202 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 992.203 LDB: ============= START OF LOAD BALANCING ============== 992.494 LDB: Largest compute 4820 load 0.028959 is 24.6% of average load 0.117533 LDB: Average compute 0.001739 is 1.5% of average load 0.117533 LDB: TIME 992.497 LOAD: AVG 0.117533 MAX 0.181159 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.16 MB LDB: TIME 992.497 LOAD: AVG 0.117533 MAX 0.181159 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.363 MB LDB: TIME 992.497 LOAD: AVG 0.117533 MAX 0.181159 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 992.499 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 992.503 PRESSURE: 340400 -70.8771 188.393 -94.3678 188.393 76.5505 -58.2114 -94.369 -58.213 80.1773 GPRESSURE: 340400 -14.9471 219.274 -173.806 129.225 118.178 7.6135 -70.6184 -64.1751 79.8851 PRESSAVG: 340400 -6.54317 26.5201 34.4927 26.5202 -16.2204 17.4381 34.4927 17.438 20.117 GPRESSAVG: 340400 -5.74173 28.731 33.9533 26.4297 -16.7365 18.2308 35.802 16.1677 19.8175 TIMING: 340400 CPU: 989.327, 0.00295988/step Wall: 989.327, 0.00295988/step, 3.83108 hours remaining, 203.316406 MB of memory in use. ENERGY: 340400 757.0403 2135.2907 1969.8554 125.4128 -206768.0988 17788.7256 0.0000 0.0000 34027.4678 -149964.3060 297.1703 -183991.7739 -149862.6364 297.3450 28.6169 61.0388 556739.7563 -0.8822 -0.8869 PRESSURE: 340600 47.9023 -70.6112 -82.0482 -70.611 121.348 72.1548 -82.0485 72.1543 167.541 GPRESSURE: 340600 45.2087 -65.0223 9.48358 -54.314 145.499 -1.8667 -29.4492 141.786 237.491 PRESSAVG: 340600 -16.4415 -6.75027 22.2216 -6.7503 -21.8981 -13.7981 22.2216 -13.7981 19.5787 GPRESSAVG: 340600 -17.63 -9.52966 21.3927 -5.41622 -21.7412 -14.4113 20.2961 -13.1528 20.1509 TIMING: 340600 CPU: 989.921, 0.00296935/step Wall: 989.921, 0.00296935/step, 3.84316 hours remaining, 203.316406 MB of memory in use. ENERGY: 340600 724.9346 2132.6145 1965.5951 113.8991 -207111.9889 18129.0906 0.0000 0.0000 33916.7133 -150129.1417 296.2031 -184045.8549 -150034.4399 296.5686 112.2638 142.7328 555939.3871 -6.2536 -6.4068 PRESSURE: 340800 -202.511 -169.638 99.5298 -169.639 16.6356 38.5154 99.53 38.5163 -255.363 GPRESSURE: 340800 -126.832 -149.198 94.2918 -195.849 -22.7604 35.1919 160.556 9.33531 -191.858 PRESSAVG: 340800 -29.7568 40.6459 -14.9047 40.6459 11.308 43.4181 -14.9047 43.4181 10.1179 GPRESSAVG: 340800 -28.6652 44.2778 -14.4157 37.053 10.9625 41.604 -14.4332 44.757 8.64076 TIMING: 340800 CPU: 990.511, 0.00294968/step Wall: 990.511, 0.00294968/step, 3.81754 hours remaining, 203.316406 MB of memory in use. ENERGY: 340800 761.6845 2100.2485 1978.2288 111.9917 -206512.9548 17647.1453 0.0000 0.0000 33943.2184 -149970.4377 296.4346 -183913.6560 -149867.4775 296.8396 -147.0796 -113.8169 554700.8818 -2.7770 -3.0206 PRESSURE: 341000 27.2278 35.7947 -80.9519 35.795 261.421 113.816 -80.9497 113.816 101.426 GPRESSURE: 341000 42.5772 4.39683 -86.3315 70.995 248.032 103.338 -64.0675 71.7279 194.5 PRESSAVG: 341000 -62.1569 8.97003 -24.9413 8.97007 53.0129 16.7016 -24.9413 16.7016 38.1283 GPRESSAVG: 341000 -61.8882 8.27144 -25.471 10.1698 53.119 17.9327 -25.9232 14.9269 37.962 TIMING: 341000 CPU: 991.099, 0.00293914/step Wall: 991.099, 0.00293914/step, 3.80373 hours remaining, 203.316406 MB of memory in use. ENERGY: 341000 747.5035 2165.1391 1966.9020 116.8289 -206971.5102 18020.8212 0.0000 0.0000 33863.6636 -150090.6520 295.7398 -183954.3156 -150000.1449 297.1154 130.0249 161.7032 554953.5621 9.6614 9.7309 PRESSURE: 341200 -148.842 -5.80463 -256.888 -5.80471 193.94 -25.9417 -256.887 -25.9434 174.936 GPRESSURE: 341200 -136.018 -23.1502 -146.146 -62.6519 280.548 45.2321 -243.217 -111.36 175.347 PRESSAVG: 341200 -47.8629 35.8676 -25.9835 35.8677 35.041 0.275624 -25.9834 0.275514 60.3097 GPRESSAVG: 341200 -48.1416 34.6091 -24.8986 37.317 34.1171 1.31582 -25.3237 0.165104 61.7615 TIMING: 341200 CPU: 991.688, 0.00294477/step Wall: 991.688, 0.00294477/step, 3.81086 hours remaining, 203.316406 MB of memory in use. ENERGY: 341200 745.0446 2053.9086 1980.5476 117.2951 -207174.7385 18187.8589 0.0000 0.0000 34182.7428 -149907.3410 298.5264 -184090.0838 -149817.1095 297.8286 73.3447 106.6258 556646.4847 15.8293 15.9123 PRESSURE: 341400 -176.269 -67.108 48.6937 -67.1074 -180.3 124.503 48.6941 124.503 3.3753 GPRESSURE: 341400 -143.395 -85.6793 113.59 -140.385 -135.483 88.6395 23.4931 140.152 17.064 PRESSAVG: 341400 -43.2415 20.3092 14.5393 20.3092 -1.8981 35.1535 14.5393 35.1536 16.7232 GPRESSAVG: 341400 -44.7103 21.7442 13.8298 19.2033 0.436252 32.6416 14.5494 37.0204 15.7424 TIMING: 341400 CPU: 992.274, 0.00292934/step Wall: 992.274, 0.00292934/step, 3.79073 hours remaining, 203.316406 MB of memory in use. ENERGY: 341400 792.3792 2108.1696 1970.8744 116.3690 -206547.4975 17811.6058 0.0000 0.0000 34014.5838 -149733.5157 297.0578 -183748.0995 -149641.8079 298.1277 -117.7312 -87.2712 556350.5738 -9.4721 -9.5106 PRESSURE: 341600 87.5735 -51.3973 -158.242 -51.3972 47.4028 39.0819 -158.242 39.0828 -228.504 GPRESSURE: 341600 117.411 -12.0374 -288.145 -75.7317 58.8743 78.5749 -101.943 30.7546 -173.041 PRESSAVG: 341600 1.38127 12.3991 -2.09213 12.3993 21.8967 57.8932 -2.09218 57.8932 -32.7228 GPRESSAVG: 341600 2.32202 11.6295 -3.92692 13.5215 20.2193 60.5858 -2.94264 56.4241 -31.9731 TIMING: 341600 CPU: 992.859, 0.00292293/step Wall: 992.859, 0.00292293/step, 3.78227 hours remaining, 203.316406 MB of memory in use. ENERGY: 341600 742.5553 2087.0038 1992.8340 122.4307 -206806.0325 17895.0300 0.0000 0.0000 34181.3525 -149784.8264 298.5143 -183966.1788 -149685.2809 298.1135 -31.1759 1.0813 555811.1367 -3.1483 -3.1439 PRESSURE: 341800 40.572 10.3842 142.347 10.3843 416.156 -52.292 142.347 -52.2912 19.6738 GPRESSURE: 341800 39.557 -84.4267 178.565 73.1526 472.341 -23.1715 126.211 -0.657955 56.6603 PRESSAVG: 341800 34.8919 -27.0475 -12.3316 -27.0476 56.6468 -14.4244 -12.3318 -14.4243 -55.4074 GPRESSAVG: 341800 35.1066 -27.8162 -11.7459 -28.0094 56.2299 -13.161 -9.63437 -16.7163 -55.4289 TIMING: 341800 CPU: 993.446, 0.00293839/step Wall: 993.446, 0.00293839/step, 3.80211 hours remaining, 203.316406 MB of memory in use. ENERGY: 341800 728.5965 2089.7772 1962.0506 121.9446 -206497.1726 17863.0923 0.0000 0.0000 33996.3300 -149735.3814 296.8984 -183731.7114 -149635.1838 297.8491 158.8008 189.5195 556280.6408 12.0437 11.9692 PRESSURE: 342000 -106.149 61.5394 -167.869 61.5393 97.9131 83.9509 -167.869 83.9488 -304.637 GPRESSURE: 342000 -62.6047 57.7756 -199.852 39.9267 110.247 143.124 -143.978 0.268047 -268.538 PRESSAVG: 342000 23.6743 18.1895 10.8776 18.1895 -3.37191 -6.65369 10.8776 -6.65359 -91.8284 GPRESSAVG: 342000 23.0896 20.3703 12.816 17.5061 -2.98915 -7.1393 9.27027 -4.67558 -91.5927 TIMING: 342000 CPU: 994.029, 0.00291183/step Wall: 994.029, 0.00291183/step, 3.76758 hours remaining, 203.316406 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: 342000 751.3351 2098.4493 2030.5767 117.7478 -206227.2541 17695.4207 0.0000 0.0000 34071.1038 -149462.6208 297.5514 -183533.7245 -149367.7916 297.4668 -104.2912 -73.6318 558137.9688 -23.8420 -23.8307 PRESSURE: 342200 203.59 82.983 2.76017 82.9832 185.365 68.9831 2.76097 68.9839 -112.14 GPRESSURE: 342200 275.779 129.262 9.38666 93.381 206.165 58.0258 48.9928 67.7177 -125.464 PRESSAVG: 342200 12.5721 10.68 -13.5641 10.68 41.0142 52.8612 -13.5641 52.8613 -10.2761 GPRESSAVG: 342200 12.6673 9.63632 -12.6157 11.582 40.6927 51.7367 -12.8088 53.1498 -10.375 TIMING: 342200 CPU: 994.612, 0.00291902/step Wall: 994.612, 0.00291902/step, 3.77673 hours remaining, 203.316406 MB of memory in use. ENERGY: 342200 744.4527 2054.5645 1971.2454 121.7899 -206539.7511 18148.5890 0.0000 0.0000 34103.8772 -149395.2322 297.8376 -183499.1095 -149299.7968 299.1230 92.2717 118.8265 557658.9683 14.4367 14.3284 PRESSURE: 342400 -121.828 -92.8809 -52.1358 -92.8802 197.317 -1.04277 -52.1359 -1.04368 3.70545 GPRESSURE: 342400 -100.792 -129.686 -90.0703 -110.633 214.559 6.82733 -65.0535 -20.7616 63.6184 PRESSAVG: 342400 -10.7155 -33.71 -5.55011 -33.71 41.654 40.8026 -5.55014 40.8027 -7.79217 GPRESSAVG: 342400 -10.6201 -35.0153 -8.03679 -33.7302 42.3297 39.7784 -6.49759 38.6738 -8.23388 TIMING: 342400 CPU: 995.196, 0.00291614/step Wall: 995.196, 0.00291614/step, 3.77283 hours remaining, 203.316406 MB of memory in use. ENERGY: 342400 764.6935 2113.5295 1979.9676 118.4450 -206339.0936 17828.9874 0.0000 0.0000 34241.6028 -149291.8678 299.0404 -183533.4706 -149195.4980 298.6605 26.3983 59.1286 558532.2105 7.7155 7.8252 PRESSURE: 342600 51.6973 14.1982 45.0485 14.1977 156.99 76.6177 45.0473 76.6182 140.321 GPRESSURE: 342600 92.4587 10.2124 0.68443 12.8136 155.242 52.7527 56.662 40.2848 212.083 PRESSAVG: 342600 2.13907 2.56921 72.7249 2.56923 14.5766 15.9727 72.725 15.9728 0.68968 GPRESSAVG: 342600 1.41339 3.62234 70.8489 1.93977 16.1677 16.2978 73.8491 20.3781 0.566542 TIMING: 342600 CPU: 995.775, 0.00289639/step Wall: 995.775, 0.00289639/step, 3.74713 hours remaining, 203.316406 MB of memory in use. ENERGY: 342600 761.0166 2080.8791 1968.5092 123.5248 -206618.3470 18216.9914 0.0000 0.0000 34320.7071 -149146.7187 299.7313 -183467.4258 -149054.0789 298.7479 116.3361 153.2613 556676.5691 5.8018 6.0492 PRESSURE: 342800 159.467 3.83571 -109.548 3.83554 16.3603 -35.173 -109.547 -35.1737 26.2857 GPRESSURE: 342800 185.474 -8.66797 -97.1877 85.538 -12.1628 5.09115 -94.0348 -15.8316 133.284 PRESSAVG: 342800 24.5105 -22.2722 -16.6736 -22.2723 -26.1446 -32.6517 -16.6737 -32.6517 43.1503 GPRESSAVG: 342800 25.4166 -20.9879 -14.5307 -22.5115 -27.2168 -30.4142 -16.749 -35.7482 43.4786 TIMING: 342800 CPU: 996.359, 0.00291925/step Wall: 996.359, 0.00291925/step, 3.77654 hours remaining, 203.316406 MB of memory in use. ENERGY: 342800 725.7175 2078.7558 1984.5262 110.0983 -206110.7341 17896.5758 0.0000 0.0000 34245.0210 -149070.0394 299.0703 -183315.0604 -148977.3481 299.9760 67.3710 102.1983 557900.6108 13.8387 13.8928 PRESSURE: 343000 -130.214 -157.725 11.2982 -157.725 -108.604 -43.1319 11.298 -43.1326 -86.322 GPRESSURE: 343000 -120.448 -192.466 95.3737 -117.694 -83.2624 -101.19 -44.3185 10.5496 -17.5393 PRESSAVG: 343000 22.3813 -10.0291 -1.26639 -10.0291 -50.4511 25.6413 -1.26632 25.6411 -5.67605 GPRESSAVG: 343000 22.2901 -9.83439 -1.53784 -10.5195 -49.5536 25.3141 -1.67674 25.0813 -5.94851 TIMING: 343000 CPU: 996.951, 0.00296322/step Wall: 996.951, 0.00296322/step, 3.83326 hours remaining, 203.316406 MB of memory in use. ENERGY: 343000 763.9289 2080.7754 2010.3192 102.8293 -206154.0693 17705.0414 0.0000 0.0000 34422.5929 -149068.5822 300.6211 -183491.1750 -148969.5756 299.0593 -108.3799 -73.7499 557877.0595 -11.2486 -11.0707 PRESSURE: 343200 -272.088 32.5491 -77.7478 32.5488 -52.8081 108.814 -77.7468 108.816 -85.2451 GPRESSURE: 343200 -195.574 -40.913 -125.77 125.161 -27.061 163.08 -113.169 -10.4317 -101.839 PRESSAVG: 343200 6.08872 -34.6693 41.4533 -34.6693 20.1152 4.96811 41.4532 4.96809 -10.8552 GPRESSAVG: 343200 6.19168 -35.9002 41.3759 -33.2134 19.1551 4.08089 41.9916 6.39947 -9.49808 TIMING: 343200 CPU: 997.539, 0.00293686/step Wall: 997.539, 0.00293686/step, 3.79899 hours remaining, 203.316406 MB of memory in use. ENERGY: 343200 730.1799 2134.9985 1997.7940 99.9297 -205780.9862 17485.8617 0.0000 0.0000 34345.2997 -148986.9227 299.9460 -183332.2223 -148896.4567 299.4509 -136.7137 -108.1580 557848.9867 5.1162 5.2829 PRESSURE: 343400 -100.492 83.3039 -43.6543 83.3049 109.663 -64.5919 -43.6568 -64.5914 -218.785 GPRESSURE: 343400 -73.3134 187.397 -87.4679 -11.1712 57.5428 -50.4192 82.8085 -17.0713 -99.5624 PRESSAVG: 343400 34.5718 16.6475 25.703 16.6475 -5.15018 53.038 25.703 53.038 7.43963 GPRESSAVG: 343400 34.5485 17.9458 28.1019 14.571 -5.81337 54.4732 25.6059 53.1772 8.20454 TIMING: 343400 CPU: 998.119, 0.00290145/step Wall: 998.119, 0.00290145/step, 3.75303 hours remaining, 203.316406 MB of memory in use. ENERGY: 343400 737.1704 2113.1150 1941.1894 112.5587 -205614.5600 17701.4013 0.0000 0.0000 34093.9993 -148915.1259 297.7514 -183009.1252 -148813.3002 298.8521 -69.8714 -38.4443 559072.7061 12.2871 12.3132 PRESSURE: 343600 -45.6182 -38.9166 75.3142 -38.9168 -168.091 -41.7179 75.3133 -41.7182 120.934 GPRESSURE: 343600 -27.4212 -30.0736 29.8683 -75.4792 -55.1289 -11.7036 162.145 -14.989 98.3533 PRESSAVG: 343600 -40.5855 0.0536153 12.9146 0.0535919 13.6523 -25.5859 12.9146 -25.5861 -7.56799 GPRESSAVG: 343600 -41.161 -1.25709 10.3513 0.91417 15.8207 -27.6907 13.0423 -24.5573 -8.92789 TIMING: 343600 CPU: 998.697, 0.00288984/step Wall: 998.697, 0.00288984/step, 3.73785 hours remaining, 203.316406 MB of memory in use. ENERGY: 343600 710.7677 2064.1185 1978.5005 115.7040 -205971.3275 17816.2796 0.0000 0.0000 34434.7835 -148851.1736 300.7275 -183285.9571 -148756.1897 299.7170 -30.9250 5.2678 558692.3809 -11.5004 -11.4227 PRESSURE: 343800 -52.9973 -15.5668 -115.449 -15.5675 -174.609 92.2312 -115.45 92.2323 -178.11 GPRESSURE: 343800 -68.4008 4.65978 -94.8996 -18.5123 -148.63 -4.60291 -168.69 86.1466 -97.0822 PRESSAVG: 343800 12.2913 -10.75 -10.3801 -10.7501 -53.9479 40.2522 -10.3802 40.2522 23.0741 GPRESSAVG: 343800 13.4149 -8.96784 -7.92769 -12.3345 -54.7102 39.7261 -10.8515 39.3211 22.6807 TIMING: 343800 CPU: 999.278, 0.00290516/step Wall: 999.278, 0.00290516/step, 3.7575 hours remaining, 203.316406 MB of memory in use. ENERGY: 343800 730.7679 2137.0160 1993.0315 103.8662 -206021.5753 17618.9115 0.0000 0.0000 34475.9428 -148962.0392 301.0870 -183437.9820 -148865.6377 299.4009 -135.2388 -104.7042 558064.1230 -6.1942 -6.2049 PRESSURE: 344000 -106.665 54.9603 -9.20768 54.9607 238.104 -225.155 -9.20725 -225.154 50.3704 GPRESSURE: 344000 -39.731 -51.0957 -53.1366 26.6062 309.578 -195.527 82.7525 -168.728 20.2245 PRESSAVG: 344000 -18.5813 47.3357 -24.7307 47.3357 -31.8209 -43.7717 -24.7307 -43.7718 44.6086 GPRESSAVG: 344000 -18.8029 47.285 -25.6714 49.6276 -31.1931 -44.5475 -24.9588 -42.6106 44.5762 TIMING: 344000 CPU: 999.862, 0.0029223/step Wall: 999.862, 0.0029223/step, 3.77951 hours remaining, 203.316406 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: 344000 768.3523 2105.3496 1973.3649 113.1403 -206171.2827 17886.9846 0.0000 0.0000 34229.7640 -149094.3269 298.9370 -183324.0910 -148996.9678 299.7779 60.6032 96.6904 556244.9480 -1.9312 -1.8066 PRESSURE: 344200 128.502 156.016 -49.117 156.015 -35.2331 32.4683 -49.1176 32.4672 -74.907 GPRESSURE: 344200 131 157.449 -37.7586 188.509 -1.59037 14.4368 -44.5341 -6.44177 -14.2887 PRESSAVG: 344200 20.4451 64.2468 30.3427 64.2468 -41.6774 -25.886 30.3426 -25.886 36.2312 GPRESSAVG: 344200 21.1785 61.1328 30.6304 66.0342 -41.8394 -23.494 29.2535 -27.1646 34.8947 TIMING: 344200 CPU: 1000.45, 0.00292642/step Wall: 1000.45, 0.00292642/step, 3.78467 hours remaining, 203.316406 MB of memory in use. ENERGY: 344200 769.5562 2076.4992 1988.9124 115.3296 -205877.4566 17504.2151 0.0000 0.0000 34196.8585 -149226.0854 298.6497 -183422.9439 -149129.4665 299.2705 6.1207 38.3736 555551.2559 4.9996 4.7446 LDB: ============= START OF LOAD BALANCING ============== 1003.91 LDB: ============== END OF LOAD BALANCING =============== 1003.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1003.92 LDB: ============= START OF LOAD BALANCING ============== 1004.21 LDB: Largest compute 4820 load 0.027816 is 23.7% of average load 0.117505 LDB: Average compute 0.001738 is 1.5% of average load 0.117505 LDB: TIME 1004.21 LOAD: AVG 0.117505 MAX 0.177032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.887 MB LDB: TIME 1004.21 LOAD: AVG 0.117505 MAX 0.177032 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.09 MB LDB: TIME 1004.21 LOAD: AVG 0.117505 MAX 0.177032 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.09 MB LDB: ============== END OF LOAD BALANCING =============== 1004.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1004.22 PRESSURE: 344400 85.1265 151.944 -41.2614 151.944 91.7535 61.1744 -41.2585 61.1764 -120.681 GPRESSURE: 344400 141.652 174.848 26.1649 122.44 76.6321 65.5048 -91.7297 125.934 -69.4414 PRESSAVG: 344400 -56.1816 24.5824 -15.6197 24.5825 3.28073 20.9666 -15.6198 20.9666 39.4038 GPRESSAVG: 344400 -56.5286 28.4964 -15.8729 21.5833 1.79262 20.0619 -15.4103 24.3644 41.508 TIMING: 344400 CPU: 1001.04, 0.0029697/step Wall: 1001.04, 0.0029697/step, 3.84048 hours remaining, 203.765625 MB of memory in use. ENERGY: 344400 755.2965 2133.2214 1998.2635 107.6553 -205930.9987 17669.2460 0.0000 0.0000 34033.8618 -149233.4543 297.2262 -183267.3161 -149138.5313 298.7758 18.7330 49.6143 557352.1882 -4.4990 -4.4093 PRESSURE: 344600 -61.6617 0.306483 -61.8168 0.306782 -143 130.49 -61.8166 130.49 53.8206 GPRESSURE: 344600 -54.6726 -6.01363 -50.3483 3.08456 -126.516 186.066 -37.6709 158.481 124.618 PRESSAVG: 344600 -88.0901 3.60754 -33.9804 3.60755 7.33659 11.3027 -33.9804 11.3027 83.606 GPRESSAVG: 344600 -88.1143 0.836954 -33.0572 4.31714 8.19406 10.6069 -32.9686 6.66336 83.3982 TIMING: 344600 CPU: 1001.63, 0.00291789/step Wall: 1001.63, 0.00291789/step, 3.77332 hours remaining, 204.285156 MB of memory in use. ENERGY: 344600 725.4091 2040.5386 1983.6314 120.7930 -206196.6069 17743.7771 0.0000 0.0000 34337.0686 -149245.3891 299.8742 -183582.4577 -149146.9863 298.9016 -50.2804 -18.8568 556961.8447 0.9508 1.1593 PRESSURE: 344800 2.48242 2.73572 -67.942 2.73603 -176.635 5.82388 -67.9419 5.82467 -227.427 GPRESSURE: 344800 37.0541 -135.032 -77.1365 33.2496 -114.365 68.8481 -138.861 -19.1902 -220.846 PRESSAVG: 344800 38.3937 -28.5556 -58.6808 -28.5554 -51.976 42.9622 -58.6808 42.9623 16.5052 GPRESSAVG: 344800 39.1626 -27.2141 -59.376 -30.5821 -51.3259 43.0841 -61.3127 45.7187 14.7387 TIMING: 344800 CPU: 1002.21, 0.00293422/step Wall: 1002.21, 0.00293422/step, 3.79427 hours remaining, 204.285156 MB of memory in use. ENERGY: 344800 754.7152 2136.9527 1961.5727 100.4240 -205958.7253 17743.0876 0.0000 0.0000 34241.1467 -149020.8264 299.0365 -183261.9731 -148924.9660 299.5686 -133.8600 -99.3858 558652.8276 0.9743 0.8585 PRESSURE: 345000 -14.95 34.6107 -74.2864 34.6096 -243.296 -91.9838 -74.2875 -91.9819 -236.793 GPRESSURE: 345000 -7.46197 -27.9704 -41.2533 42.3051 -211.794 -167.394 6.89226 8.22116 -188.507 PRESSAVG: 345000 -23.469 -4.28465 -7.12388 -4.28466 20.2355 8.04329 -7.12392 8.04324 -19.4656 GPRESSAVG: 345000 -24.1713 -3.29074 -8.08059 -3.22 19.4868 7.00759 -4.01081 7.87452 -18.0811 TIMING: 345000 CPU: 1002.79, 0.00286893/step Wall: 1002.79, 0.00286893/step, 3.70969 hours remaining, 204.285156 MB of memory in use. ENERGY: 345000 755.2674 2040.7663 1964.4691 118.0213 -205761.4175 17657.5936 0.0000 0.0000 33990.7660 -149234.5339 296.8498 -183225.2998 -149137.0479 298.9556 -165.0131 -135.9211 559234.5270 -7.5664 -7.5885 PRESSURE: 345200 85.3603 110.973 118.487 110.974 176.039 5.89467 118.486 5.89498 -286.562 GPRESSURE: 345200 17.5413 136.921 160.656 99.1039 209.755 -14.9163 104.802 -6.00063 -156.453 PRESSAVG: 345200 24.1807 -9.67275 -38.2274 -9.67278 -2.31651 68.5896 -38.2274 68.5896 -24.7908 GPRESSAVG: 345200 24.9444 -9.78751 -35.7288 -9.28029 -2.49401 71.2799 -40.5608 68.5008 -24.9264 TIMING: 345200 CPU: 1003.36, 0.00288239/step Wall: 1003.36, 0.00288239/step, 3.72693 hours remaining, 204.285156 MB of memory in use. ENERGY: 345200 733.4437 2098.0369 1992.5380 100.3411 -206528.9244 17966.5374 0.0000 0.0000 34245.8777 -149392.1496 299.0778 -183638.0273 -149292.3178 298.9006 -8.3877 23.6143 558214.4686 -0.9755 -0.8253 PRESSURE: 345400 71.8846 -152.701 175.052 -152.702 65.7333 -124.003 175.051 -124.003 228.4 GPRESSURE: 345400 51.388 -117.104 131.66 -69.8703 137.026 -143.435 192.951 -65.3524 276.761 PRESSAVG: 345400 33.7099 -20.1596 -16.8292 -20.1595 -7.74025 16.0761 -16.8291 16.076 -50.9523 GPRESSAVG: 345400 33.539 -22.1645 -18.3135 -19.2737 -7.86981 13.3412 -14.5941 16.7978 -50.7134 TIMING: 345400 CPU: 1003.95, 0.00292512/step Wall: 1003.95, 0.00292512/step, 3.78202 hours remaining, 204.285156 MB of memory in use. ENERGY: 345400 711.3942 2076.5797 1974.4042 98.2488 -206822.5615 18114.4181 0.0000 0.0000 34350.2686 -149497.2477 299.9894 -183847.5164 -149394.2113 298.4892 122.0060 155.0583 556542.4630 -8.3276 -8.3481 PRESSURE: 345600 142 69.5454 9.52974 69.5448 -94.5114 -81.2314 9.52862 -81.2308 -212.272 GPRESSURE: 345600 109.163 113.446 -5.7176 92.4896 -7.70905 -77.0821 -57.1066 -85.0067 -168.208 PRESSAVG: 345600 -18.3908 -58.4453 -61.7089 -58.4453 -14.611 -62.8891 -61.7089 -62.889 38.3695 GPRESSAVG: 345600 -18.6775 -59.0083 -62.272 -57.3663 -14.1447 -63.0324 -62.2937 -63.8364 38.2776 TIMING: 345600 CPU: 1004.52, 0.00287517/step Wall: 1004.52, 0.00287517/step, 3.71728 hours remaining, 204.285156 MB of memory in use. ENERGY: 345600 713.5235 2087.8205 2002.5483 102.3100 -206237.0561 17903.7112 0.0000 0.0000 34013.2718 -149413.8708 297.0464 -183427.1426 -149316.0543 298.2408 -54.9277 -22.2512 558553.3731 1.7892 1.8184 PRESSURE: 345800 -15.0882 -29.5919 -35.3219 -29.5918 77.1046 -32.8385 -35.3227 -32.8387 -90.5356 GPRESSURE: 345800 1.93625 -69.0411 -117.537 -27.0549 116.034 -61.6921 40.7385 -46.4272 -41.4595 PRESSAVG: 345800 11.9872 17.2028 -18.8796 17.2027 56.5679 26.1193 -18.8797 26.1193 -44.3134 GPRESSAVG: 345800 12.7838 18.5438 -20.7822 15.8139 55.5056 28.6287 -18.9264 27.0876 -44.0883 TIMING: 345800 CPU: 1005.1, 0.00287643/step Wall: 1005.1, 0.00287643/step, 3.71874 hours remaining, 204.285156 MB of memory in use. ENERGY: 345800 783.8655 2065.8457 1999.0055 118.4950 -206161.4424 17851.7948 0.0000 0.0000 34250.1426 -149092.2932 299.1150 -183342.4358 -149003.8739 299.0307 -9.5064 25.5034 558400.0294 8.0806 8.0670 PRESSURE: 346000 179.886 -3.56571 -14.6093 -3.56604 -23.4338 42.7602 -14.6085 42.7612 180.659 GPRESSURE: 346000 182.421 19.7847 -6.0078 -61.0219 12.857 43.842 -75.3258 79.9159 246.318 PRESSAVG: 346000 51.6672 -5.199 -3.8834 -5.19889 -1.14062 36.06 -3.88344 36.0599 -41.7607 GPRESSAVG: 346000 50.6837 -4.76205 -4.84732 -6.49748 0.143269 36.6922 -2.99724 32.457 -42.3832 TIMING: 346000 CPU: 1005.67, 0.0028851/step Wall: 1005.67, 0.0028851/step, 3.7298 hours remaining, 204.285156 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: 346000 776.9566 2048.1018 1993.9035 105.4443 -206217.0421 18087.0680 0.0000 0.0000 34178.2019 -149027.3659 298.4867 -183205.5678 -148923.3101 298.5282 112.3705 147.1989 557759.2510 2.9219 2.8146 PRESSURE: 346200 -40.46 -76.4997 -88.8552 -76.4991 -56.3094 72.4924 -88.8563 72.4924 -296.933 GPRESSURE: 346200 -75.1298 1.26705 -65.1088 -135.845 -53.6274 34.4901 -125.136 110.379 -180.189 PRESSAVG: 346200 34.8623 5.7443 12.3422 5.7443 -4.34048 -53.7993 12.3422 -53.7993 -37.5599 GPRESSAVG: 346200 34.2571 5.61357 13.4208 8.58737 -5.08073 -55.2375 11.3817 -53.8111 -36.6969 TIMING: 346200 CPU: 1006.25, 0.00289417/step Wall: 1006.25, 0.00289417/step, 3.74136 hours remaining, 204.285156 MB of memory in use. ENERGY: 346200 799.1086 2106.7314 1988.1191 109.8275 -205678.4525 17688.7497 0.0000 0.0000 34181.6784 -148804.2378 298.5171 -182985.9161 -148711.8058 299.9252 -131.2342 -102.9821 557946.6550 -2.3460 -2.5068 PRESSURE: 346400 -123.715 50.7952 -83.0981 50.7944 38.0352 43.0875 -83.0972 43.0884 -48.488 GPRESSURE: 346400 -136.137 47.527 -101.288 59.2835 85.9773 25.0017 -109.84 -17.8681 15.5058 PRESSAVG: 346400 23.3986 -25.4148 -21.1532 -25.4148 3.83757 -21.205 -21.1533 -21.2051 2.01207 GPRESSAVG: 346400 24.3251 -24.7977 -22.6097 -28.7806 4.36579 -22.2034 -20.5535 -19.4758 0.611194 TIMING: 346400 CPU: 1006.83, 0.00287951/step Wall: 1006.83, 0.00287951/step, 3.72225 hours remaining, 204.285156 MB of memory in use. ENERGY: 346400 753.9145 2147.5464 1980.4427 112.4064 -205968.0891 17692.6951 0.0000 0.0000 34320.1008 -148960.9831 299.7260 -183281.0840 -148859.3577 299.6673 -44.7226 -11.5514 556753.2715 9.7494 9.7674 PRESSURE: 346600 47.8327 219.081 67.2462 219.081 -70.449 12.0078 67.2466 12.0084 126.28 GPRESSURE: 346600 45.9438 168.674 10.398 183.551 -58.0332 -29.6236 80.965 -4.84268 197.045 PRESSAVG: 346600 41.649 24.9792 17.4427 24.9792 1.79941 4.27179 17.4427 4.27183 -63.9803 GPRESSAVG: 346600 41.3017 24.0112 18.7423 27.3553 1.46867 4.23204 15.1194 4.85894 -63.3988 TIMING: 346600 CPU: 1007.41, 0.00289159/step Wall: 1007.41, 0.00289159/step, 3.7377 hours remaining, 204.285156 MB of memory in use. ENERGY: 346600 744.1814 2139.1030 1995.9192 101.3782 -206044.9732 17832.8963 0.0000 0.0000 34146.9970 -149084.4981 298.2142 -183231.4951 -148987.8689 299.9212 34.5546 61.6518 557246.8700 -6.8440 -6.8761 PRESSURE: 346800 -75.6447 -7.21461 37.5799 -7.21435 -161.669 166.428 37.5808 166.427 -37.9086 GPRESSURE: 346800 -73.4915 66.4887 -67.8317 -47.4671 -86.1378 179.549 139.35 210.988 -15.4858 PRESSAVG: 346800 36.2111 24.4023 17.6513 24.4024 -15.3768 -22.9695 17.6513 -22.9696 -29.1864 GPRESSAVG: 346800 35.5521 23.9518 17.5377 23.2122 -14.2704 -23.2434 19.86 -22.1482 -29.2929 TIMING: 346800 CPU: 1007.98, 0.00288382/step Wall: 1007.98, 0.00288382/step, 3.7275 hours remaining, 204.285156 MB of memory in use. ENERGY: 346800 751.8146 2151.7413 1993.9301 118.7422 -205906.9914 17588.3730 0.0000 0.0000 34279.1970 -149023.1933 299.3688 -183302.3903 -148931.0484 299.8553 -91.7409 -58.3717 557871.9261 -2.7841 -2.6704 PRESSURE: 347000 7.29329 75.7281 -107.103 75.7272 61.4648 -68.2276 -107.103 -68.2278 99.9488 GPRESSURE: 347000 30.6617 8.90927 -86.4981 107.325 53.6233 -58.6259 -96.0916 -94.7776 169.286 PRESSAVG: 347000 3.24135 16.3766 -5.36727 16.3765 -9.52381 -15.7178 -5.36736 -15.7178 27.4004 GPRESSAVG: 347000 4.37574 16.9213 -2.36484 17.1065 -11.4033 -14.4507 -7.51096 -16.4912 28.5683 TIMING: 347000 CPU: 1008.56, 0.00287811/step Wall: 1008.56, 0.00287811/step, 3.71996 hours remaining, 204.285156 MB of memory in use. ENERGY: 347000 731.7994 2150.5549 1974.2219 126.3175 -206086.9216 17684.6863 0.0000 0.0000 34426.2410 -148993.1005 300.6529 -183419.3415 -148896.1595 299.0581 56.2356 84.5238 557157.3580 7.0393 7.1802 PRESSURE: 347200 -321.133 -43.3566 -0.7839 -43.3566 -109.375 -10.3249 -0.784209 -10.3244 128.777 GPRESSURE: 347200 -240.243 -12.5909 -32.1007 -114.034 -116.948 -39.3924 8.55972 14.8689 150.459 PRESSAVG: 347200 -9.75813 -42.5603 -8.97092 -42.5603 -20.7436 -41.4373 -8.97099 -41.4372 39.9826 GPRESSAVG: 347200 -10.6682 -41.3576 -11.7267 -42.7304 -20.283 -43.7966 -8.40954 -39.7292 40.0118 TIMING: 347200 CPU: 1009.15, 0.00292612/step Wall: 1009.15, 0.00292612/step, 3.78185 hours remaining, 204.285156 MB of memory in use. ENERGY: 347200 725.1347 2079.7174 1985.5456 118.3767 -205822.9869 17558.2647 0.0000 0.0000 34310.3725 -149045.5752 299.6410 -183355.9477 -148947.5901 299.8449 -100.5773 -68.9104 557002.6660 3.1603 3.0202 PRESSURE: 347400 -313.955 -45.0048 1.85462 -45.0054 -206.023 86.7676 1.85439 86.7684 -293.764 GPRESSURE: 347400 -307.849 -99.2256 -2.27907 -34.5662 -207.105 40.2157 46.4942 75.9075 -189.132 PRESSAVG: 347400 -30.1748 -38.8963 9.87249 -38.8963 3.91773 20.4773 9.8726 20.4772 33.0525 GPRESSAVG: 347400 -29.368 -38.8049 10.2792 -38.4332 3.68843 20.648 9.55942 19.4448 32.3114 TIMING: 347400 CPU: 1009.73, 0.00293073/step Wall: 1009.73, 0.00293073/step, 3.78764 hours remaining, 204.285156 MB of memory in use. ENERGY: 347400 746.5409 2156.4246 1964.8261 107.4682 -205845.3287 17571.2680 0.0000 0.0000 34325.1320 -148973.6689 299.7699 -183298.8008 -148874.7876 300.0806 -271.2472 -234.6951 558924.6137 2.2651 2.2106 PRESSURE: 347600 -162.201 70.4177 16.8272 70.4171 81.6883 -92.0828 16.8281 -92.083 -221.819 GPRESSURE: 347600 -192.183 37.3378 7.30755 79.8448 130.003 -20.7004 3.90035 -66.0024 -147.487 PRESSAVG: 347600 16.1695 -36.4219 -40.674 -36.4219 36.6263 5.21231 -40.674 5.21241 -54.1765 GPRESSAVG: 347600 15.8208 -36.8388 -39.0137 -38.4405 38.0718 6.139 -41.7718 4.96516 -54.614 TIMING: 347600 CPU: 1010.32, 0.00292516/step Wall: 1010.32, 0.00292516/step, 3.78028 hours remaining, 204.285156 MB of memory in use. ENERGY: 347600 771.8344 2113.9915 1958.7493 106.9880 -206210.9343 17897.5555 0.0000 0.0000 34387.7605 -148974.0551 300.3169 -183361.8156 -148869.2756 299.7760 -100.7770 -69.8892 558184.7792 -0.4602 -0.2405 PRESSURE: 347800 -315.081 69.6735 -125.128 69.6719 67.6416 102.097 -125.128 102.096 -23.038 GPRESSURE: 347800 -259.709 91.686 -80.2976 93.0117 78.5863 93.7311 -147.531 59.8853 9.93094 PRESSAVG: 347800 -22.8662 -29.168 54.4422 -29.1681 7.12903 48.4515 54.4423 48.4513 41.2021 GPRESSAVG: 347800 -21.5552 -29.5888 53.4724 -28.5152 5.8682 48.3723 55.8978 48.6855 41.1223 TIMING: 347800 CPU: 1010.9, 0.00290491/step Wall: 1010.9, 0.00290491/step, 3.75395 hours remaining, 204.285156 MB of memory in use. ENERGY: 347800 744.9038 2169.6243 1970.1429 109.0335 -205878.1984 17542.4874 0.0000 0.0000 34420.5614 -148921.4450 300.6033 -183342.0065 -148825.3357 299.7575 -90.1591 -57.0640 558298.0109 8.4883 8.4784 PRESSURE: 348000 74.9511 -166.711 -24.0123 -166.713 -3.92386 191.729 -24.0127 191.73 -147.463 GPRESSURE: 348000 72.1658 -167.648 -127.018 -108.914 152.27 226.579 -25.9777 244.669 -191.419 PRESSAVG: 348000 8.83363 -75.9279 -47.8921 -75.9279 51.8719 6.81141 -47.8922 6.81139 -18.8819 GPRESSAVG: 348000 8.88541 -76.208 -50.5701 -74.4535 51.9649 8.42974 -46.8216 6.56991 -19.313 TIMING: 348000 CPU: 1011.48, 0.00290846/step Wall: 1011.48, 0.00290846/step, 3.75838 hours remaining, 204.285156 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: 348000 743.9981 2140.5118 1968.3656 107.3550 -206107.1144 17840.8780 0.0000 0.0000 34381.3881 -148924.6179 300.2612 -183306.0060 -148824.4304 300.3546 -25.4786 11.0057 557346.3673 13.9412 13.8458 PRESSURE: 348200 19.5952 76.0927 88.5895 76.0939 -33.6688 -146.831 88.5911 -146.829 -279.823 GPRESSURE: 348200 -47.7853 87.4022 98.054 -38.4721 54.6012 -112.342 50.0768 -112.585 -192.956 PRESSAVG: 348200 19.3209 -46.8346 -3.92285 -46.8347 0.748824 32.4163 -3.92277 32.4164 -28.8895 GPRESSAVG: 348200 18.2533 -45.8337 -2.15763 -46.9264 0.961404 30.6848 -5.41336 30.9546 -28.3528 TIMING: 348200 CPU: 1012.07, 0.00293121/step Wall: 1012.07, 0.00293121/step, 3.78761 hours remaining, 204.296875 MB of memory in use. ENERGY: 348200 739.9377 2112.7336 1965.9989 108.3268 -205544.1497 17547.5315 0.0000 0.0000 34159.2106 -148910.4106 298.3209 -183069.6211 -148810.7547 299.7719 -97.9655 -62.0466 559058.3040 -2.9399 -3.0460 LDB: ============= START OF LOAD BALANCING ============== 1015.53 LDB: ============== END OF LOAD BALANCING =============== 1015.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1015.54 LDB: ============= START OF LOAD BALANCING ============== 1015.83 LDB: Largest compute 4820 load 0.026651 is 22.7% of average load 0.117537 LDB: Average compute 0.001740 is 1.5% of average load 0.117537 LDB: TIME 1015.83 LOAD: AVG 0.117537 MAX 0.178915 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.836 MB LDB: TIME 1015.83 LOAD: AVG 0.117537 MAX 0.178915 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.91 MB LDB: TIME 1015.83 LOAD: AVG 0.117537 MAX 0.178915 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1015.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1015.84 PRESSURE: 348400 -180.546 24.2639 -204.014 24.2641 -41.0131 19.4252 -204.014 19.4251 -110.916 GPRESSURE: 348400 -125.933 75.5629 -175.613 14.8558 -49.1734 48.9903 -215.279 76.1735 -69.2699 PRESSAVG: 348400 -32.3499 -27.8961 -12.6015 -27.8961 16.497 -3.81017 -12.6015 -3.81026 -13.7198 GPRESSAVG: 348400 -32.3355 -26.9176 -9.94365 -30.9664 15.6447 -2.33717 -13.0818 -2.96826 -13.219 TIMING: 348400 CPU: 1012.66, 0.00298817/step Wall: 1012.66, 0.00298817/step, 3.86104 hours remaining, 203.828125 MB of memory in use. ENERGY: 348400 735.4861 2127.6467 1984.6802 109.9398 -205826.4109 17632.5140 0.0000 0.0000 34329.9229 -148906.2214 299.8118 -183236.1443 -148804.2978 299.3586 -110.8250 -81.4588 558740.5940 -9.8575 -9.9699 PRESSURE: 348600 -238.168 -145.572 -47.9456 -145.571 3.39885 22.2515 -47.9448 22.252 -149.052 GPRESSURE: 348600 -172.208 -89.1417 -7.95465 -187.318 -12.3314 41.6708 -21.0444 -3.48623 -110.06 PRESSAVG: 348600 -34.873 -61.5927 -43.0181 -61.5926 46.9812 16.5755 -43.0181 16.5755 2.8393 GPRESSAVG: 348600 -35.1221 -64.4916 -44.9951 -59.7081 48.2496 16.1466 -41.8526 15.1901 2.5916 TIMING: 348600 CPU: 1013.25, 0.0029402/step Wall: 1013.25, 0.0029402/step, 3.7989 hours remaining, 204.156250 MB of memory in use. ENERGY: 348600 700.0920 2059.0700 1985.8221 106.7706 -205429.5846 17389.4734 0.0000 0.0000 34419.6344 -148768.7222 300.5952 -183188.3566 -148672.9749 300.0220 -127.9402 -98.1998 560191.8047 4.9825 5.2397 PRESSURE: 348800 -38.4316 98.9025 77.6965 98.9032 334.861 -0.908912 77.6952 -0.909969 18.3283 GPRESSURE: 348800 -53.5483 126.052 -30.5526 29.3075 401.278 -23.8331 84.2198 -2.23815 58.6709 PRESSAVG: 348800 -75.0238 28.9224 76.083 28.9224 58.4983 3.43615 76.083 3.43609 43.6946 GPRESSAVG: 348800 -74.3699 29.2157 75.7195 29.7306 58.095 2.24358 77.3461 3.87472 43.319 TIMING: 348800 CPU: 1013.83, 0.00289135/step Wall: 1013.83, 0.00289135/step, 3.73562 hours remaining, 204.156250 MB of memory in use. ENERGY: 348800 727.2438 2103.5173 1963.3145 101.6285 -206038.2887 17937.0728 0.0000 0.0000 34133.7112 -149071.8007 298.0982 -183205.5118 -148980.0046 299.3314 104.9192 135.4669 557399.5286 9.0564 9.0147 PRESSURE: 349000 -93.5758 -135.036 74.5527 -135.036 -317.232 80.7988 74.553 80.7975 -35.6674 GPRESSURE: 349000 -119.247 -71.541 41.1259 -159.931 -261.36 2.22984 8.00731 69.591 18.2617 PRESSAVG: 349000 -13.4388 34.2875 17.9821 34.2876 7.9899 -0.211956 17.9821 -0.211982 37.9454 GPRESSAVG: 349000 -12.5055 32.3757 17.9507 37.2049 8.44376 1.49477 16.4852 1.17837 36.3478 TIMING: 349000 CPU: 1014.41, 0.00289543/step Wall: 1014.41, 0.00289543/step, 3.74073 hours remaining, 204.156250 MB of memory in use. ENERGY: 349000 754.8470 2092.0584 1969.9327 112.9306 -205735.5910 17598.9652 0.0000 0.0000 34283.3605 -148923.4966 299.4051 -183206.8571 -148828.1269 299.4273 -148.8252 -120.7817 559377.3055 10.8322 10.7620 PRESSURE: 349200 -164.14 -18.3144 107.27 -18.3146 -309.196 4.59494 107.269 4.59497 -122.264 GPRESSURE: 349200 -131.044 -50.9235 120.899 6.49548 -291.514 -62.5913 60.5305 96.9135 -76.1872 PRESSAVG: 349200 -67.1955 33.1869 20.8967 33.1869 10.2035 15.5205 20.8966 15.5205 76.7264 GPRESSAVG: 349200 -67.7212 37.3273 20.5407 28.4769 9.51476 15.6786 21.7356 14.1617 77.8856 TIMING: 349200 CPU: 1014.99, 0.00289004/step Wall: 1014.99, 0.00289004/step, 3.73361 hours remaining, 204.156250 MB of memory in use. ENERGY: 349200 722.6774 2091.9791 1990.7982 103.9317 -205672.4687 17464.4855 0.0000 0.0000 34411.7988 -148886.7980 300.5268 -183298.5968 -148785.3193 300.2356 -198.5335 -166.2484 559547.6127 6.5781 6.5597 PRESSURE: 349400 8.23509 26.2965 -19.5993 26.2975 -132.922 15.8824 -19.5984 15.882 -81.8011 GPRESSURE: 349400 -56.8624 67.4596 6.1385 23.9144 -65.6952 22.6125 -38.6206 -12.8022 13.5061 PRESSAVG: 349400 7.4436 -40.8764 4.56345 -40.8765 -26.2395 -11.8511 4.5634 -11.8512 43.4689 GPRESSAVG: 349400 6.98095 -42.6764 5.69326 -40.2881 -26.0334 -11.4704 3.01901 -9.62624 43.528 TIMING: 349400 CPU: 1015.57, 0.0029271/step Wall: 1015.57, 0.0029271/step, 3.78132 hours remaining, 204.156250 MB of memory in use. ENERGY: 349400 796.6601 2064.7553 1976.3911 107.3937 -205734.7870 17745.9513 0.0000 0.0000 34197.0341 -148846.6014 298.6512 -183043.6355 -148752.0406 300.1101 -68.8293 -36.3505 558917.5385 8.2243 8.1585 PRESSURE: 349600 -81.3868 -41.7433 -57.2879 -41.7439 -18.7081 -88.8337 -57.2877 -88.833 28.3491 GPRESSURE: 349600 -77.2312 -8.50252 -37.7916 40.5555 63.6356 -159.683 -1.86395 -33.1304 43.6786 PRESSAVG: 349600 -54.0488 -22.8689 34.8509 -22.8688 -13.2239 -8.66186 34.8508 -8.66187 25.2488 GPRESSAVG: 349600 -54.2057 -20.6153 33.9882 -24.4787 -13.5015 -10.2544 35.4055 -11.1996 26.0465 TIMING: 349600 CPU: 1016.15, 0.00290293/step Wall: 1016.15, 0.00290293/step, 3.74994 hours remaining, 204.156250 MB of memory in use. ENERGY: 349600 698.8195 2108.3394 1986.0749 114.0639 -205680.7617 17699.6401 0.0000 0.0000 34253.2654 -148820.5586 299.1423 -183073.8240 -148724.1952 299.8575 -23.9153 10.0277 559992.8525 -14.0079 -13.8869 PRESSURE: 349800 44.8723 -35.5186 -27.4986 -35.5189 -118.143 204.264 -27.4987 204.262 150.862 GPRESSURE: 349800 52.873 -56.5566 4.58738 5.62 -54.2604 148.869 -19.7873 217.786 181.415 PRESSAVG: 349800 -13.2654 -10.749 33.0035 -10.749 34.3933 -36.8589 33.0035 -36.8588 -31.1777 GPRESSAVG: 349800 -14.0937 -13.2731 32.2782 -6.65952 35.3008 -36.8642 34.2684 -34.9577 -31.548 TIMING: 349800 CPU: 1016.73, 0.00290291/step Wall: 1016.73, 0.00290291/step, 3.74975 hours remaining, 204.156250 MB of memory in use. ENERGY: 349800 697.6070 2114.2310 1984.0996 116.2504 -206056.9187 17814.7565 0.0000 0.0000 34492.0540 -148837.9202 301.2277 -183329.9742 -148743.2858 300.4023 25.8635 60.0093 558294.6477 -3.3499 -3.4470 PRESSURE: 350000 41.603 119.779 -64.0746 119.78 18.1048 130.306 -64.0758 130.307 53.5549 GPRESSURE: 350000 8.45534 102.289 -49.4912 59.4732 107.352 70.7184 -56.3184 101.299 76.6602 PRESSAVG: 350000 -11.3101 62.1602 46.6075 62.1602 -5.79358 32.6291 46.6075 32.6291 24.8382 GPRESSAVG: 350000 -11.1454 62.3371 49.8579 59.2975 -6.58768 33.9895 44.0293 31.1771 25.1584 TIMING: 350000 CPU: 1017.31, 0.00287927/step Wall: 1017.31, 0.00287927/step, 3.71906 hours remaining, 204.156250 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: 350000 755.4695 2133.7451 1987.2019 131.8935 -206093.9123 17807.0527 0.0000 0.0000 34445.1220 -148833.4277 300.8178 -183278.5497 -148751.8441 300.2297 37.7542 64.1559 557430.1308 2.5782 2.4751 PRESSURE: 350200 0.422347 -69.6351 -106.545 -69.6337 -139.596 72.7903 -106.545 72.7881 1.47691 GPRESSURE: 350200 -9.78437 -108.963 40.2506 -113.867 -73.3046 60.9948 -171.773 41.9188 36.861 PRESSAVG: 350200 -55.2324 16.5231 -16.3369 16.523 5.13269 21.3492 -16.3369 21.3493 36.4635 GPRESSAVG: 350200 -55.3504 17.1603 -18.6676 17.1239 5.86873 21.4548 -14.2694 21.6479 35.545 TIMING: 350200 CPU: 1017.89, 0.00288215/step Wall: 1017.89, 0.00288215/step, 3.72262 hours remaining, 204.156250 MB of memory in use. ENERGY: 350200 714.2494 2125.0658 2001.4676 124.7770 -205858.1378 17669.2909 0.0000 0.0000 34262.1800 -148961.1070 299.2201 -183223.2870 -148860.9241 299.8003 -45.8989 -15.4093 557159.2374 -4.5454 -4.6456 PRESSURE: 350400 -5.11876 -44.058 -16.5066 -44.0566 248.535 -71.2333 -16.5075 -71.235 -347.992 GPRESSURE: 350400 -20.7593 -144.399 -61.8589 18.3723 277.555 -61.6211 -136.931 21.4263 -276.077 PRESSAVG: 350400 -75.4518 -29.9016 -11.0169 -29.9015 57.5997 30.069 -11.0169 30.0691 3.56188 GPRESSAVG: 350400 -75.3818 -31.7603 -11.3394 -29.5598 56.4867 31.4654 -10.2656 30.9123 4.39311 TIMING: 350400 CPU: 1018.46, 0.00287508/step Wall: 1018.46, 0.00287508/step, 3.71332 hours remaining, 204.156250 MB of memory in use. ENERGY: 350400 710.4576 2150.1487 1971.0264 121.7676 -206165.9387 17804.8589 0.0000 0.0000 34368.9537 -149038.7258 300.1526 -183407.6795 -148940.4865 300.1697 -34.8584 -6.4273 557738.5712 -4.7634 -4.8340 PRESSURE: 350600 -385.148 -66.3077 -78.4534 -66.3089 57.3351 79.094 -78.452 79.0925 -91.9305 GPRESSURE: 350600 -370.393 -77.8924 -29.1077 1.50769 55.3565 45.8782 -73.7513 91.3435 -5.28461 PRESSAVG: 350600 -6.86439 -1.97775 -40.0838 -1.9778 10.535 -28.5731 -40.0836 -28.5732 -11.9525 GPRESSAVG: 350600 -5.5978 -0.920515 -36.9347 -4.15953 11.0565 -30.5865 -41.7562 -28.3164 -13.2398 TIMING: 350600 CPU: 1019.04, 0.00289537/step Wall: 1019.04, 0.00289537/step, 3.73937 hours remaining, 204.156250 MB of memory in use. ENERGY: 350600 731.0371 2031.7300 1956.9107 110.9272 -206044.0186 17690.1125 0.0000 0.0000 34486.7824 -149036.5189 301.1816 -183523.3013 -148937.0212 299.6570 -139.9143 -106.7737 559175.7439 -2.7606 -2.5937 PRESSURE: 350800 -68.8211 133.514 -191.06 133.515 -221.057 -23.0741 -191.059 -23.075 33.9929 GPRESSURE: 350800 -62.0578 190.15 -203.443 92.6064 -108.659 41.9644 -122.468 -10.8082 5.97634 PRESSAVG: 350800 28.471 22.9017 -64.3519 22.9017 4.50059 -34.6797 -64.352 -34.6798 5.24279 GPRESSAVG: 350800 27.2713 25.2905 -65.8947 21.9197 3.94479 -34.4271 -61.3955 -35.1927 7.32826 TIMING: 350800 CPU: 1019.62, 0.00290794/step Wall: 1019.62, 0.00290794/step, 3.75544 hours remaining, 204.156250 MB of memory in use. ENERGY: 350800 761.0722 2095.2824 1965.9405 127.8720 -205589.2718 17601.9983 0.0000 0.0000 34095.2407 -148941.8657 297.7622 -183037.1064 -148852.1824 299.3147 -85.2950 -54.9136 558178.4628 12.7381 12.8481 PRESSURE: 351000 67.2556 -15.0167 64.2931 -15.0177 145.348 68.6429 64.291 68.6431 172.291 GPRESSURE: 351000 27.8317 -77.7227 31.7859 13.7814 230.099 108.842 57.286 9.51092 217.328 PRESSAVG: 351000 -51.9497 45.5718 22.1037 45.5718 29.8006 17.9959 22.1036 17.996 50.5412 GPRESSAVG: 351000 -50.5316 42.9913 20.8897 46.8103 29.1614 19.2717 22.2663 16.1024 49.3121 TIMING: 351000 CPU: 1020.2, 0.00289268/step Wall: 1020.2, 0.00289268/step, 3.73558 hours remaining, 204.156250 MB of memory in use. ENERGY: 351000 752.3602 2093.8676 1971.0677 109.0156 -206120.8695 17951.6188 0.0000 0.0000 34415.5568 -148827.3828 300.5596 -183242.9396 -148736.8111 300.0848 128.2982 158.4195 557144.9901 9.4640 9.3140 PRESSURE: 351200 81.774 3.01891 100.447 3.01865 -178.797 175.237 100.448 175.234 -183.566 GPRESSURE: 351200 98.3723 17.9577 151.549 29.1363 -102.672 153.988 79.2169 115.974 -174.954 PRESSAVG: 351200 -35.2877 23.2032 3.56729 23.2031 2.71568 4.06044 3.56724 4.06049 14.2718 GPRESSAVG: 351200 -36.4852 24.5664 4.8725 24.0629 3.16622 3.91754 1.71905 3.6664 14.5315 TIMING: 351200 CPU: 1020.78, 0.00288413/step Wall: 1020.78, 0.00288413/step, 3.72437 hours remaining, 204.156250 MB of memory in use. ENERGY: 351200 727.7247 2068.7802 1990.1484 99.3979 -205738.7599 17705.3095 0.0000 0.0000 34235.5446 -148911.8547 298.9875 -183147.3992 -148817.1359 300.1509 -93.5299 -59.7513 558102.0342 -6.1001 -6.2625 PRESSURE: 351400 270.092 55.4321 -2.76195 55.4321 -116.341 51.4594 -2.76197 51.4606 -161.772 GPRESSURE: 351400 304.611 -78.1997 21.4613 115.826 -75.843 78.9672 -10.99 -38.2406 -119.905 PRESSAVG: 351400 31.9348 14.1913 20.3245 14.1913 -70.9564 -22.0585 20.3245 -22.0586 11.2972 GPRESSAVG: 351400 30.9582 11.5848 21.0658 13.3597 -70.9788 -21.0161 21.1712 -20.9944 11.7393 TIMING: 351400 CPU: 1021.35, 0.0028682/step Wall: 1021.35, 0.00286821/step, 3.70365 hours remaining, 204.156250 MB of memory in use. ENERGY: 351400 759.2183 2022.1456 1960.5418 127.9974 -206249.9147 17766.2797 0.0000 0.0000 34520.7243 -149093.0076 301.4781 -183613.7319 -148995.7974 299.3993 -2.6736 36.2877 556806.6041 -9.2415 -9.4271 PRESSURE: 351600 45.4062 120.788 142.782 120.789 -118.661 123.916 142.782 123.916 49.675 GPRESSURE: 351600 2.31233 74.7838 161.92 100.755 -96.9111 193.287 95.7574 87.8768 164.318 PRESSAVG: 351600 -12.7953 30.2233 48.9937 30.2232 35.4877 19.1955 48.9937 19.1955 -36.7971 GPRESSAVG: 351600 -11.9222 32.461 47.8148 31.406 35.8318 19.8852 48.936 18.7205 -37.8683 TIMING: 351600 CPU: 1021.93, 0.0028871/step Wall: 1021.93, 0.0028871/step, 3.72788 hours remaining, 204.156250 MB of memory in use. ENERGY: 351600 736.6944 2077.7283 2005.7230 104.0542 -205946.4803 17750.2595 0.0000 0.0000 34225.4178 -149046.6032 298.8991 -183272.0210 -148958.4247 298.6471 -7.8600 23.2397 556012.0910 -4.7015 -4.6529 PRESSURE: 351800 -45.9892 110.63 -91.625 110.63 -40.5346 -128.489 -91.6254 -128.488 21.2578 GPRESSURE: 351800 -6.08074 76.2371 -133.329 66.9956 -53.249 -135.671 -22.153 -122.248 96.6678 PRESSAVG: 351800 25.916 16.6226 9.40888 16.6225 -46.0727 22.8971 9.40896 22.8971 82.8868 GPRESSAVG: 351800 25.829 14.6972 9.58053 16.5159 -47.8685 19.6495 8.13851 24.7738 84.8003 TIMING: 351800 CPU: 1022.5, 0.00288008/step Wall: 1022.5, 0.00288008/step, 3.71866 hours remaining, 204.156250 MB of memory in use. ENERGY: 351800 729.9555 2046.4571 1964.4857 113.2558 -206181.1687 17683.5530 0.0000 0.0000 34611.7675 -149031.6941 302.2732 -183643.4616 -148939.0240 299.9186 -21.7553 12.4460 556974.6571 20.9100 20.9202 PRESSURE: 352000 99.701 -90.6162 -8.36957 -90.6164 -67.7585 47.8414 -8.36988 47.8411 58.9409 GPRESSURE: 352000 136.96 -133.987 -33.3679 -9.821 -35.8776 150.262 -9.85802 37.0837 74.0121 PRESSAVG: 352000 66.1704 33.3031 -6.8876 33.3031 35.3291 -31.133 -6.88756 -31.133 -52.7272 GPRESSAVG: 352000 66.2297 34.1525 -9.22716 31.8003 36.4834 -28.3103 -5.82441 -33.4512 -53.7597 TIMING: 352000 CPU: 1023.08, 0.00289937/step Wall: 1023.08, 0.00289937/step, 3.74341 hours remaining, 204.156250 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: 352000 775.9744 2073.4230 1969.6285 122.2084 -206093.3093 17937.6859 0.0000 0.0000 34229.1105 -148985.2786 298.9313 -183214.3891 -148882.9507 299.8500 30.2944 58.3648 556534.7590 16.2574 16.3178 PRESSURE: 352200 5.97028 241.201 -73.4664 241.2 -112.463 -55.8047 -73.4663 -55.8044 -109.349 GPRESSURE: 352200 26.1773 195.536 -110.943 264.751 -41.0132 -78.6574 -36.2683 3.7941 -101.526 PRESSAVG: 352200 23.1456 -28.4686 43.7815 -28.4686 28.9876 -54.2489 43.7816 -54.249 -78.5954 GPRESSAVG: 352200 22.7623 -27.4134 47.5694 -27.4772 29.3558 -56.9287 43.6759 -52.2876 -79.219 TIMING: 352200 CPU: 1023.66, 0.00288421/step Wall: 1023.66, 0.00288421/step, 3.72368 hours remaining, 204.156250 MB of memory in use. ENERGY: 352200 759.5428 2124.6060 1969.0387 118.4461 -205987.9110 17696.5574 0.0000 0.0000 34436.1089 -148883.6110 300.7391 -183319.7199 -148785.6376 300.3645 -71.9473 -38.7873 558062.3621 -8.8207 -9.0336 LDB: ============= START OF LOAD BALANCING ============== 1027.12 LDB: ============== END OF LOAD BALANCING =============== 1027.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1027.13 LDB: ============= START OF LOAD BALANCING ============== 1027.42 LDB: Largest compute 4820 load 0.026899 is 22.9% of average load 0.117418 LDB: Average compute 0.001730 is 1.5% of average load 0.117418 LDB: TIME 1027.42 LOAD: AVG 0.117418 MAX 0.178527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.996 MB LDB: TIME 1027.42 LOAD: AVG 0.117418 MAX 0.178527 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.203 MB LDB: TIME 1027.42 LOAD: AVG 0.117418 MAX 0.178527 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1027.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1027.43 PRESSURE: 352400 -0.519706 54.2109 60.1143 54.2102 -151.308 -60.5938 60.1139 -60.5932 -110.385 GPRESSURE: 352400 -7.17231 61.0742 15.1465 52.671 -116.236 8.4254 72.2355 -105.447 -42.0952 PRESSAVG: 352400 41.4138 18.9617 3.23971 18.9617 8.44354 -69.0198 3.23968 -69.0198 -67.1244 GPRESSAVG: 352400 41.9795 18.8534 1.28079 18.7233 8.41483 -68.3347 3.89112 -70.5059 -67.4198 TIMING: 352400 CPU: 1024.25, 0.00295522/step Wall: 1024.25, 0.00295522/step, 3.81518 hours remaining, 203.316406 MB of memory in use. ENERGY: 352400 737.0714 2019.2626 1953.8537 114.7990 -205721.9561 17609.7461 0.0000 0.0000 34257.9597 -149029.2637 299.1833 -183287.2234 -148947.6893 299.7291 -87.4041 -55.1677 557592.8455 -5.7557 -5.6751 PRESSURE: 352600 48.2922 -0.77636 205.135 -0.777001 -89.9732 -98.9887 205.134 -98.9902 -31.1483 GPRESSURE: 352600 61.2726 -13.8406 208.41 57.9338 -88.0868 -36.9229 207.373 -118.516 46.4167 PRESSAVG: 352600 -36.542 16.817 70.2647 16.817 10.365 -28.0001 70.2647 -28.0002 -11.3254 GPRESSAVG: 352600 -37.2475 18.2848 70.9583 16.4854 10.3124 -26.9934 69.764 -26.1759 -11.11 TIMING: 352600 CPU: 1024.84, 0.00291939/step Wall: 1024.84, 0.00291939/step, 3.76877 hours remaining, 203.316406 MB of memory in use. ENERGY: 352600 741.9002 2062.3941 1964.3936 101.9063 -206164.7362 17717.6505 0.0000 0.0000 34282.3391 -149294.1525 299.3962 -183576.4915 -149198.3204 299.5832 -24.2764 6.5342 556704.4545 -12.5008 -12.6817 PRESSURE: 352800 -25.5465 131.221 -121.567 131.22 -36.6626 -60.7423 -121.568 -60.7423 74.303 GPRESSURE: 352800 -46.0058 114.472 -76.8391 97.1591 21.6992 -33.6953 -126.047 -91.4996 138.587 PRESSAVG: 352800 -20.385 -5.05895 10.333 -5.05881 69.103 27.6255 10.3329 27.6255 -46.0145 GPRESSAVG: 352800 -20.0323 -6.47746 11.6838 -4.84901 68.1735 28.3424 9.66883 26.3499 -45.5615 TIMING: 352800 CPU: 1025.41, 0.00289067/step Wall: 1025.41, 0.00289067/step, 3.73154 hours remaining, 203.316406 MB of memory in use. ENERGY: 352800 714.7338 2096.6018 1985.4995 119.7555 -206329.7779 17867.2282 0.0000 0.0000 34255.8592 -149290.1000 299.1649 -183545.9592 -149195.0050 299.0076 4.0313 38.0934 559292.0750 0.9012 0.8599 PRESSURE: 353000 -37.6893 -184.73 1.22058 -184.731 -39.9688 40.5235 1.22086 40.5229 65.4746 GPRESSURE: 353000 -91.0945 -95.0401 -35.5656 -182.553 -8.91 21.1497 18.0296 44.2832 196.829 PRESSAVG: 353000 -10.2156 -9.67303 -7.27248 -9.67293 19.2999 -14.2468 -7.27258 -14.2468 -17.6952 GPRESSAVG: 353000 -11.6066 -9.90552 -6.78785 -7.99463 20.5059 -15.86 -8.65954 -12.8098 -17.1396 TIMING: 353000 CPU: 1025.99, 0.00288247/step Wall: 1025.99, 0.00288247/step, 3.72079 hours remaining, 203.597656 MB of memory in use. ENERGY: 353000 729.7037 2074.7742 1984.0248 124.6068 -206357.4753 17799.9963 0.0000 0.0000 34112.5465 -149531.8230 297.9134 -183644.3695 -149438.2910 298.2558 -4.0612 32.2748 557380.0339 -2.8703 -2.7468 PRESSURE: 353200 -5.82197 -61.0892 -128.408 -61.0906 -251.809 -45.3631 -128.408 -45.3632 -1.88522 GPRESSURE: 353200 22.7134 -102.358 -100.531 6.41762 -175.564 -31.8396 -149.005 -19.413 -11.7688 PRESSAVG: 353200 -18.2944 -16.549 -5.72918 -16.5489 -33.6352 -5.63918 -5.72917 -5.63925 35.2232 GPRESSAVG: 353200 -17.8298 -17.3284 -6.85744 -17.9314 -32.9997 -5.19065 -4.52122 -6.73388 33.8058 TIMING: 353200 CPU: 1026.57, 0.00288736/step Wall: 1026.57, 0.00288736/step, 3.72694 hours remaining, 203.597656 MB of memory in use. ENERGY: 353200 741.1647 2056.1770 1963.8758 113.4118 -206380.5360 17766.9874 0.0000 0.0000 34115.7996 -149623.1196 297.9418 -183738.9192 -149527.1529 297.9839 -86.5055 -54.8730 556513.4172 -5.5688 -5.6745 PRESSURE: 353400 -119.287 -33.4163 14.4854 -33.4153 34.6229 104.304 14.4853 104.303 -62.3432 GPRESSURE: 353400 -80.9922 -70.6802 -50.7718 -13.96 59.458 138.833 107.871 130.577 -47.6698 PRESSAVG: 353400 14.7055 35.7552 1.43482 35.7552 -51.2415 30.4674 1.43476 30.4675 57.6921 GPRESSAVG: 353400 15.4677 35.7004 -0.708886 36.1452 -52.6874 31.3376 2.70409 27.802 58.2425 TIMING: 353400 CPU: 1027.15, 0.00290112/step Wall: 1027.15, 0.00290112/step, 3.74454 hours remaining, 203.597656 MB of memory in use. ENERGY: 353400 738.7712 2074.9362 1992.5456 119.3720 -206327.6253 17664.6881 0.0000 0.0000 34077.0145 -149660.2978 297.6030 -183737.3122 -149560.6468 298.4258 -49.0024 -23.0680 556522.3619 7.0520 7.0076 PRESSURE: 353600 -25.8577 35.344 26.2454 35.3439 -140.657 58.1865 26.2457 58.1872 -187.896 GPRESSURE: 353600 25.69 15.574 33.2735 39.1051 -131.588 153.577 58.5507 -64.9397 -144.483 PRESSAVG: 353600 76.6669 -0.62433 9.76819 -0.624224 -63.5378 -10.046 9.76824 -10.046 -16.5843 GPRESSAVG: 353600 76.4652 0.385701 10.3669 -1.92685 -64.236 -8.97359 8.43623 -9.44907 -15.4432 TIMING: 353600 CPU: 1027.72, 0.00288438/step Wall: 1027.72, 0.00288438/step, 3.72277 hours remaining, 203.597656 MB of memory in use. ENERGY: 353600 739.7797 2019.9825 1967.6254 122.0691 -206447.1549 17828.4862 0.0000 0.0000 34209.5036 -149559.7085 298.7601 -183769.2120 -149463.9812 298.0344 -118.1372 -83.4605 557765.3367 -1.1517 -1.0713 PRESSURE: 353800 -132.885 126.473 -2.29024 126.473 -71.9034 -90.9396 -2.29003 -90.9399 -24.4909 GPRESSURE: 353800 -93.0977 178.815 26.5872 57.5644 -84.8441 -180.648 -55.9545 26.2635 40.7724 PRESSAVG: 353800 -11.1091 3.95595 40.0439 3.95602 3.39386 -42.6144 40.0439 -42.6144 4.61064 GPRESSAVG: 353800 -11.4501 2.44096 41.9448 3.94096 4.41978 -44.8528 40.0576 -40.8639 3.44454 TIMING: 353800 CPU: 1028.3, 0.00289043/step Wall: 1028.3, 0.00289043/step, 3.73043 hours remaining, 203.597656 MB of memory in use. ENERGY: 353800 758.6006 2115.4044 1994.5768 101.9453 -206283.9098 17730.4997 0.0000 0.0000 34255.8080 -149327.0748 299.1645 -183582.8829 -149232.7903 298.2760 -76.4265 -45.7231 558135.9716 -1.0349 -1.1952 PRESSURE: 354000 -179.546 -88.5412 -25.7587 -88.541 -457.088 -72.8945 -25.7572 -72.8947 131.859 GPRESSURE: 354000 -130.31 -3.35622 -63.9362 -100.633 -376.514 -58.1356 4.83731 -17.6757 98.2666 PRESSAVG: 354000 57.8232 11.2117 -10.2293 11.2116 14.91 -52.6717 -10.2293 -52.6717 -23.175 GPRESSAVG: 354000 57.093 12.5635 -9.55951 13.0828 14.7095 -52.7463 -9.11852 -52.5214 -22.583 TIMING: 354000 CPU: 1028.88, 0.00288841/step Wall: 1028.88, 0.00288841/step, 3.72766 hours remaining, 203.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 354000 702.7041 2104.7375 1974.8351 112.8996 -205855.4725 17370.9456 0.0000 0.0000 34248.1957 -149341.1551 299.0980 -183589.3508 -149247.4674 299.4656 -168.2582 -136.1858 558992.5834 16.5194 16.4065 PRESSURE: 354200 367.822 -114.218 24.9794 -114.218 131.131 34.719 24.9794 34.7177 281.487 GPRESSURE: 354200 358.372 -164.792 -57.5045 -78.4333 168.14 16.8765 76.192 25.6498 348.728 PRESSAVG: 354200 38.1946 15.776 44.326 15.7759 -46.3918 -12.6757 44.3259 -12.6757 -0.505758 GPRESSAVG: 354200 39.003 15.0296 44.5131 15.9452 -45.5731 -11.9464 43.0804 -13.8745 -2.31855 TIMING: 354200 CPU: 1029.46, 0.00291036/step Wall: 1029.46, 0.00291036/step, 3.75582 hours remaining, 203.597656 MB of memory in use. ENERGY: 354200 775.4864 2088.5418 1974.6795 114.0191 -206659.9797 18214.4624 0.0000 0.0000 34142.7976 -149349.9927 298.1775 -183492.7904 -149251.9355 298.9430 260.1468 291.7466 555424.5256 -2.9010 -2.9629 PRESSURE: 354400 117.682 130.251 233.878 130.25 -12.7834 -61.5499 233.877 -61.5507 91.9993 GPRESSURE: 354400 156.116 127.218 240.131 84.8496 28.2084 -81.1369 283.114 -54.7109 106.331 PRESSAVG: 354400 40.6052 31.2957 37.8642 31.2957 -6.14807 -20.5487 37.8642 -20.5487 57.1998 GPRESSAVG: 354400 40.4847 29.7325 35.7459 31.8644 -7.41832 -21.5857 38.8884 -17.6544 58.7353 TIMING: 354400 CPU: 1030.04, 0.00289476/step Wall: 1030.04, 0.00289476/step, 3.73553 hours remaining, 203.597656 MB of memory in use. ENERGY: 354400 763.2038 2106.9049 1981.9869 115.3339 -206293.8403 17683.5744 0.0000 0.0000 34298.6623 -149344.1741 299.5387 -183642.8364 -149245.7678 298.6087 65.6326 96.8853 555173.9771 30.5523 30.6006 PRESSURE: 354600 49.0379 202.78 -165.935 202.779 -117.264 -185.588 -165.935 -185.589 -160.063 GPRESSURE: 354600 46.0651 247.652 -178.871 238.261 -42.5758 -61.0543 -139.569 -266.715 -135.606 PRESSAVG: 354600 27.0021 -30.4877 -21.5677 -30.4878 -74.5118 60.3434 -21.5678 60.3434 17.4508 GPRESSAVG: 354600 26.7046 -27.9174 -21.6592 -32.8177 -73.8066 61.7308 -20.3976 60.0943 16.0785 TIMING: 354600 CPU: 1030.61, 0.00286618/step Wall: 1030.61, 0.00286619/step, 3.69849 hours remaining, 203.597656 MB of memory in use. ENERGY: 354600 736.0831 2082.6512 1976.1344 102.8256 -206516.0041 17953.6491 0.0000 0.0000 34332.5059 -149332.1547 299.8343 -183664.6606 -149238.0322 298.5741 -76.0963 -44.0388 557246.7768 -10.0196 -10.3412 PRESSURE: 354800 220.968 94.0173 -7.73506 94.0167 145.05 15.8327 -7.73523 15.8306 -159.291 GPRESSURE: 354800 203.582 124.587 -28.5261 120.287 195.071 7.25453 -99.5802 -13.3426 -92.6403 PRESSAVG: 354800 66.4624 -57.9731 28.7972 -57.9731 -54.8262 -10.0116 28.7972 -10.0116 -18.7704 GPRESSAVG: 354800 67.1679 -58.2533 27.3924 -56.9046 -56.0061 -9.54742 28.7495 -12.3104 -18.2602 TIMING: 354800 CPU: 1031.19, 0.00288561/step Wall: 1031.19, 0.00288561/step, 3.7234 hours remaining, 203.597656 MB of memory in use. ENERGY: 354800 717.2603 2101.8865 1963.9480 135.0757 -206479.8609 17916.5214 0.0000 0.0000 34255.6489 -149389.5201 299.1631 -183645.1690 -149294.8881 298.1130 68.9091 102.0043 557342.4433 -2.3781 -2.3661 PRESSURE: 355000 -189.212 95.2231 -32.5849 95.2222 83.422 -87.5429 -32.5839 -87.5426 -1.94222 GPRESSURE: 355000 -158.102 131.377 -2.6985 105.81 110.486 37.8314 -25.9023 -85.2086 34.255 PRESSAVG: 355000 -36.9929 15.7836 28.166 15.7835 71.3361 -2.48203 28.166 -2.4821 -2.27872 GPRESSAVG: 355000 -38.231 14.611 28.1602 17.0452 71.8796 -3.35036 29.1913 -2.84535 -1.23839 TIMING: 355000 CPU: 1031.77, 0.00290428/step Wall: 1031.77, 0.00290428/step, 3.74733 hours remaining, 203.597656 MB of memory in use. ENERGY: 355000 737.8538 2081.4735 1982.4170 107.1008 -206160.7008 17684.3553 0.0000 0.0000 34139.0769 -149428.4233 298.1450 -183567.5003 -149326.8809 298.2370 -35.9106 -4.4539 556415.0768 10.6882 10.8034 PRESSURE: 355200 -84.6271 -86.3801 -8.9328 -86.3814 -33.2715 39.1138 -8.93179 39.1146 -79.1083 GPRESSURE: 355200 -60.7681 -91.7205 -46.0389 -130.64 -36.4541 -22.974 -36.7683 75.6425 -13.4066 PRESSAVG: 355200 6.36711 -39.4545 45.6046 -39.4545 -0.711694 -51.0117 45.6046 -51.0118 29.1494 GPRESSAVG: 355200 6.56045 -40.0439 46.8183 -39.6024 -0.684978 -52.1676 43.4601 -50.1291 28.6856 TIMING: 355200 CPU: 1032.35, 0.00290972/step Wall: 1032.35, 0.00290972/step, 3.75419 hours remaining, 203.597656 MB of memory in use. ENERGY: 355200 730.3237 2095.9850 1989.6315 113.1491 -206056.8327 17696.6992 0.0000 0.0000 34209.9533 -149221.0911 298.7640 -183431.0443 -149126.3017 298.3749 -65.6690 -36.8763 557159.5151 11.6016 11.5204 PRESSURE: 355400 -59.2726 142.907 -53.9427 142.907 152.859 178.846 -53.9436 178.846 -260.515 GPRESSURE: 355400 -15.442 56.9087 -54.0775 93.0442 155.96 92.7006 38.4538 195.979 -203.572 PRESSAVG: 355400 -20.5119 -26.1676 37.6166 -26.1677 -60.0428 24.3159 37.6166 24.3158 30.1416 GPRESSAVG: 355400 -20.7386 -26.219 39.5367 -26.3475 -60.2878 24.1792 37.4711 24.8943 30.2913 TIMING: 355400 CPU: 1032.94, 0.00290948/step Wall: 1032.94, 0.00290948/step, 3.75372 hours remaining, 203.597656 MB of memory in use. ENERGY: 355400 719.7668 2126.3538 1970.9726 103.1357 -205831.7517 17709.6067 0.0000 0.0000 34091.1554 -149110.7606 297.7265 -183201.9160 -149014.7289 298.9268 -55.6429 -21.0178 557862.9811 -16.8044 -16.9117 PRESSURE: 355600 -382.806 10.0339 -47.984 10.0336 -268.322 128.796 -47.985 128.795 108.771 GPRESSURE: 355600 -306.259 40.4408 0.910568 11.6727 -204.8 91.8859 -65.9789 110.343 68.1031 PRESSAVG: 355600 -66.4442 -30.5327 -15.6018 -30.5327 27.7545 9.39334 -15.6019 9.39326 52.9016 GPRESSAVG: 355600 -65.6938 -29.6333 -17.8588 -29.731 28.2132 10.3649 -14.5464 6.39334 52.059 TIMING: 355600 CPU: 1033.52, 0.00289762/step Wall: 1033.52, 0.00289762/step, 3.73825 hours remaining, 203.597656 MB of memory in use. ENERGY: 355600 747.1920 2039.0047 1990.5075 116.4665 -206142.9147 17617.3919 0.0000 0.0000 34415.9076 -149216.4445 300.5627 -183632.3521 -149122.7590 299.6408 -180.7856 -147.6521 558077.3962 4.7373 4.8595 PRESSURE: 355800 -54.4873 -47.0212 123.468 -47.0207 -89.4512 -164.869 123.468 -164.87 -306.055 GPRESSURE: 355800 -3.94706 21.5023 52.6171 -111.213 -96.3698 -194.998 163.179 -148.897 -260.025 PRESSAVG: 355800 -33.1682 -36.3607 -9.89134 -36.3607 2.6765 53.7635 -9.89135 53.7635 17.4049 GPRESSAVG: 355800 -33.7935 -35.5398 -10.8574 -36.1421 2.69075 51.9952 -10.6043 54.8287 17.6686 TIMING: 355800 CPU: 1034.09, 0.00289215/step Wall: 1034.09, 0.00289215/step, 3.73104 hours remaining, 203.597656 MB of memory in use. ENERGY: 355800 749.9530 2033.1608 1969.4131 105.4732 -205660.1314 17476.6218 0.0000 0.0000 34139.7441 -149185.7653 298.1509 -183325.5094 -149079.5466 299.2579 -149.9977 -120.1138 557532.7674 -4.3623 -4.4780 PRESSURE: 356000 -179.639 152.672 39.4603 152.673 -213.28 14.6759 39.4599 14.6756 -193.228 GPRESSURE: 356000 -116.309 204.436 41.2169 94.95 -171.227 31.5248 13.8023 -61.5937 -207.638 PRESSAVG: 356000 5.04487 -37.0297 -32.2431 -37.0297 -0.254831 7.18817 -32.2431 7.18816 -2.43729 GPRESSAVG: 356000 5.37201 -36.9217 -29.7314 -38.9014 -0.64397 8.9901 -32.6716 7.25456 -2.26396 TIMING: 356000 CPU: 1034.67, 0.00289704/step Wall: 1034.67, 0.00289704/step, 3.73718 hours remaining, 203.597656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 356000 738.7785 2084.4555 1956.2430 109.4247 -205798.2547 17522.0437 0.0000 0.0000 34276.6451 -149110.6641 299.3465 -183387.3092 -149016.6168 299.0158 -195.3822 -165.0577 559095.0346 0.7843 0.8214 PRESSURE: 356200 75.3797 -15.7955 60.0591 -15.7946 -168.811 -48.8692 60.0596 -48.8686 -110.828 GPRESSURE: 356200 80.9926 52.1223 92.7648 -103.602 -109.5 -19.6839 32.7229 -90.8401 -80.8303 PRESSAVG: 356200 -12.4139 14.2025 -27.0562 14.2027 10.6202 0.702202 -27.0562 0.702152 7.7476 GPRESSAVG: 356200 -13.7184 13.0338 -27.3181 15.0816 11.6894 -1.10097 -28.431 1.24307 7.97519 TIMING: 356200 CPU: 1035.26, 0.0029074/step Wall: 1035.26, 0.0029074/step, 3.75039 hours remaining, 203.597656 MB of memory in use. ENERGY: 356200 766.4257 2038.8622 1989.3226 108.9766 -206303.5968 17870.1838 0.0000 0.0000 34313.4369 -149216.3890 299.6678 -183529.8259 -149117.3963 299.2996 -68.0864 -36.4459 557168.7933 1.9846 1.9821 LDB: ============= START OF LOAD BALANCING ============== 1038.72 LDB: ============== END OF LOAD BALANCING =============== 1038.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1038.72 LDB: ============= START OF LOAD BALANCING ============== 1039.01 LDB: Largest compute 4820 load 0.026071 is 22.2% of average load 0.117532 LDB: Average compute 0.001739 is 1.5% of average load 0.117532 LDB: TIME 1039.01 LOAD: AVG 0.117532 MAX 0.177482 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.113 MB LDB: TIME 1039.01 LOAD: AVG 0.117532 MAX 0.177482 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.316 MB LDB: TIME 1039.01 LOAD: AVG 0.117532 MAX 0.177482 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.316 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1039.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1039.02 PRESSURE: 356400 189.515 -107.823 -150.622 -107.824 -98.3341 99.0643 -150.62 99.0652 -199.068 GPRESSURE: 356400 236.512 -42.7838 -137.954 -187.091 -85.217 102.133 -129.296 84.0106 -168.668 PRESSAVG: 356400 -16.2255 -15.2307 -85.0221 -15.2307 20.114 -23.6103 -85.0221 -23.6104 26.5636 GPRESSAVG: 356400 -14.6488 -13.8953 -84.869 -17.322 19.7937 -24.464 -82.6147 -22.3712 25.5393 TIMING: 356400 CPU: 1035.84, 0.00294458/step Wall: 1035.84, 0.00294458/step, 3.79818 hours remaining, 203.253906 MB of memory in use. ENERGY: 356400 733.6041 2019.8308 1988.8644 114.6207 -206162.9054 17808.8334 0.0000 0.0000 34191.4835 -149305.6686 298.6027 -183497.1521 -149196.5913 298.8570 -35.9624 -5.7910 557032.2222 10.1507 10.2281 PRESSURE: 356600 263.256 40.9854 -39.4174 40.9844 177.519 127.423 -39.4174 127.424 167.92 GPRESSURE: 356600 275.882 135.537 -96.0613 -44.941 274.291 119.823 -20.4023 93.9418 166.497 PRESSAVG: 356600 36.7084 -46.5873 -37.4211 -46.5873 -32.4073 60.2352 -37.4212 60.2352 -27.3299 GPRESSAVG: 356600 36.1063 -45.5136 -39.9102 -47.8055 -31.6204 61.8042 -36.1733 59.6059 -27.5219 TIMING: 356600 CPU: 1036.42, 0.00288717/step Wall: 1036.42, 0.00288717/step, 3.72397 hours remaining, 203.324219 MB of memory in use. ENERGY: 356600 715.8985 2114.7314 1982.9992 121.1677 -206559.4480 18044.3907 0.0000 0.0000 34263.5960 -149316.6644 299.2325 -183580.2603 -149225.7858 298.8121 202.8986 238.8897 555677.3566 -7.6763 -7.6787 PRESSURE: 356800 273.152 90.5035 -127.906 90.5034 73.8503 44.3563 -127.906 44.3554 216.489 GPRESSURE: 356800 319.652 31.0449 -96.6135 213.634 127.16 -28.4182 -160.996 25.32 217.893 PRESSAVG: 356800 72.2223 -26.2851 -43.1785 -26.2851 -80.6365 -38.8204 -43.1786 -38.8204 35.1923 GPRESSAVG: 356800 73.0149 -29.0854 -41.9115 -22.2574 -81.3872 -39.5917 -42.9684 -39.6833 34.7449 TIMING: 356800 CPU: 1036.99, 0.00286328/step Wall: 1036.99, 0.00286328/step, 3.693 hours remaining, 203.324219 MB of memory in use. ENERGY: 356800 752.0904 2115.4152 1979.9863 108.6365 -206733.0407 18250.5913 0.0000 0.0000 34071.4277 -149454.8933 297.5543 -183526.3210 -149359.1772 299.0258 187.8304 221.5680 555649.0988 8.9260 8.7909 PRESSURE: 357000 275.093 -48.4699 61.6149 -48.4702 203.634 -18.6202 61.6161 -18.6188 270.831 GPRESSURE: 357000 290.97 20.274 18.8321 -160.246 256.705 -33.4441 78.5274 -26.6223 306.883 PRESSAVG: 357000 71.2743 0.770754 -15.2961 0.770754 14.0279 4.24034 -15.2961 4.24043 -46.8013 GPRESSAVG: 357000 70.5063 0.235587 -16.9982 0.22908 13.5533 5.12955 -15.1292 4.25741 -45.5927 TIMING: 357000 CPU: 1037.57, 0.0028767/step Wall: 1037.57, 0.0028767/step, 3.71015 hours remaining, 203.324219 MB of memory in use. ENERGY: 357000 738.5373 2045.1752 1974.7713 117.7124 -206771.3591 18110.2514 0.0000 0.0000 34335.5901 -149449.3214 299.8612 -183784.9116 -149353.5389 298.6603 249.8525 284.8525 556140.1434 12.8336 12.8223 PRESSURE: 357200 -8.01685 35.9872 142.926 35.9885 -196.801 -157.824 142.927 -157.824 35.605 GPRESSURE: 357200 48.4489 14.1023 133.652 68.7566 -133.54 -163.008 74.3697 -70.1097 8.55109 PRESSAVG: 357200 -8.78901 -19.4229 34.8003 -19.4228 13.6562 -11.2149 34.8003 -11.2149 -4.66299 GPRESSAVG: 357200 -8.24028 -16.9555 37.4894 -21.695 15.0535 -11.5561 32.6038 -12.2103 -6.49791 TIMING: 357200 CPU: 1038.15, 0.00288275/step Wall: 1038.15, 0.00288275/step, 3.71778 hours remaining, 203.324219 MB of memory in use. ENERGY: 357200 735.1784 2065.3374 1980.1827 123.3311 -206469.7433 17800.6537 0.0000 0.0000 34078.6392 -149686.4208 297.6172 -183765.0600 -149589.6154 298.2834 -56.4043 -25.5135 556000.5106 0.0681 0.1051 PRESSURE: 357400 -353.724 34.4245 32.7759 34.4254 111.173 -53.3286 32.7764 -53.329 -112.699 GPRESSURE: 357400 -316.232 1.4465 121.821 109.303 145.799 -28.6607 -63.8532 -107.245 -83.8989 PRESSAVG: 357400 14.356 22.2487 66.422 22.2488 37.5574 23.1724 66.422 23.1725 -59.5928 GPRESSAVG: 357400 13.2796 19.8117 65.2316 23.9252 37.6401 23.9682 67.0953 23.0183 -59.1339 TIMING: 357400 CPU: 1038.72, 0.00288093/step Wall: 1038.72, 0.00288093/step, 3.71529 hours remaining, 203.324219 MB of memory in use. ENERGY: 357400 757.2095 2064.1302 1958.9977 119.4524 -206161.4064 17613.4508 0.0000 0.0000 34040.7800 -149607.3857 297.2866 -183648.1657 -149503.7688 297.1366 -118.4165 -84.7772 556962.5406 -2.5598 -2.7381 PRESSURE: 357600 -84.9436 22.2191 -50.8604 22.2194 65.0607 -143.527 -50.8606 -143.527 106.887 GPRESSURE: 357600 -9.96594 -35.2416 -71.7272 177.651 72.9924 -130.37 -48.3621 -88.7106 121.588 PRESSAVG: 357600 -23.52 -7.43237 0.945021 -7.4324 5.91004 -35.9677 0.944931 -35.9677 -8.84588 GPRESSAVG: 357600 -22.6436 -5.86934 3.01802 -8.75075 4.66557 -36.5628 1.54818 -34.0406 -8.44132 TIMING: 357600 CPU: 1039.3, 0.00289988/step Wall: 1039.3, 0.00289988/step, 3.73955 hours remaining, 203.324219 MB of memory in use. ENERGY: 357600 737.7067 2063.4496 1977.5942 117.1370 -206569.7252 17860.9906 0.0000 0.0000 34242.8919 -149569.9553 299.0517 -183812.8472 -149463.5420 297.7049 29.0014 61.5381 556059.6895 -8.8186 -8.8065 PRESSURE: 357800 -94.7423 -167.154 14.5492 -167.154 -73.0981 21.875 14.5499 21.8757 160.741 GPRESSURE: 357800 -67.1141 -201.331 36.0969 -208.948 -26.7598 59.4849 -55.3667 -19.7337 180.24 PRESSAVG: 357800 -22.2418 1.71927 10.0013 1.71922 16.9381 -34.264 10.0013 -34.264 20.7674 GPRESSAVG: 357800 -21.5734 0.372328 10.0482 3.01731 16.9372 -33.9537 7.38152 -35.4628 20.0034 TIMING: 357800 CPU: 1039.88, 0.00288058/step Wall: 1039.88, 0.00288058/step, 3.71451 hours remaining, 203.324219 MB of memory in use. ENERGY: 357800 725.7768 2133.8101 1961.7697 101.8963 -206222.7391 17770.1360 0.0000 0.0000 34062.2405 -149467.1097 297.4740 -183529.3502 -149372.1984 298.0197 -2.3666 28.7887 556376.0444 5.1546 5.1224 PRESSURE: 358000 178.988 33.5013 -60.445 33.5011 -189.844 -77.1196 -60.4466 -77.1196 45.9041 GPRESSURE: 358000 249.959 49.8019 -13.0153 131.214 -103.028 -158.191 -106.513 -120.599 -4.41762 PRESSAVG: 358000 41.1023 -50.8746 -54.2727 -50.8746 -4.63642 -37.5135 -54.2727 -37.5135 -28.0703 GPRESSAVG: 358000 39.8213 -49.6263 -55.7095 -52.5542 -2.99361 -36.9481 -51.9624 -36.657 -28.8292 TIMING: 358000 CPU: 1040.45, 0.00287485/step Wall: 1040.45, 0.00287485/step, 3.70696 hours remaining, 203.324219 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: 358000 710.4580 2073.4529 1980.7122 111.6095 -206349.4606 17878.9034 0.0000 0.0000 34173.5704 -149420.7542 298.4463 -183594.3246 -149316.3624 298.1267 11.6826 47.5043 559324.3904 2.7985 2.6662 PRESSURE: 358200 19.4434 -14.7737 113.098 -14.7737 394.026 67.2398 113.099 67.2409 237.638 GPRESSURE: 358200 86.8879 -24.5853 115.82 -55.4622 342.923 56.7929 94.6219 14.1477 315.966 PRESSAVG: 358200 44.0514 -2.4847 -34.9659 -2.4847 -51.98 -16.8144 -34.9658 -16.8143 35.2471 GPRESSAVG: 358200 44.374 -2.05249 -34.4911 -1.34669 -52.8933 -16.0435 -35.308 -18.2532 35.9869 TIMING: 358200 CPU: 1041.03, 0.00287993/step Wall: 1041.03, 0.00287993/step, 3.71335 hours remaining, 203.324219 MB of memory in use. ENERGY: 358200 730.0815 2088.3267 1972.7912 102.5930 -206104.6156 17875.8268 0.0000 0.0000 33951.3023 -149383.6941 296.5052 -183334.9964 -149290.9659 298.2474 217.0361 248.5923 558388.0650 9.1062 9.1559 PRESSURE: 358400 -78.973 -46.1446 -156.787 -46.1443 -245.862 19.121 -156.787 19.1205 -58.6944 GPRESSURE: 358400 -57.9311 37.2507 -88.2296 -28.4012 -225.127 10.2983 -160.609 -29.3462 -4.07509 PRESSAVG: 358400 -51.6489 -1.29236 -57.3753 -1.29249 82.1466 21.4705 -57.3752 21.4704 -48.9693 GPRESSAVG: 358400 -52.1611 -0.40093 -59.4357 -2.44603 82.2129 19.7819 -56.1914 22.2741 -47.8241 TIMING: 358400 CPU: 1041.61, 0.00288196/step Wall: 1041.61, 0.00288196/step, 3.71581 hours remaining, 203.324219 MB of memory in use. ENERGY: 358400 723.2210 2085.7099 1966.8195 109.0764 -205606.7041 17396.5993 0.0000 0.0000 34126.5315 -149198.7465 298.0355 -183325.2780 -149101.4520 298.2310 -127.8430 -95.7109 557966.9272 -6.1572 -5.9241 PRESSURE: 358600 -5.66274 15.9501 219.703 15.9497 -33.9774 81.6862 219.705 81.6858 -94.6015 GPRESSURE: 358600 44.1604 63.1443 215.192 47.5777 -46.5185 -1.32747 118.185 202.178 -41.8622 PRESSAVG: 358600 -8.31441 34.4617 14.512 34.4617 38.7768 61.9562 14.512 61.9561 -5.02611 GPRESSAVG: 358600 -7.20298 35.0731 15.8577 34.5939 38.5042 64.0212 12.5164 61.394 -5.42834 TIMING: 358600 CPU: 1042.18, 0.00289417/step Wall: 1042.18, 0.00289417/step, 3.73139 hours remaining, 203.324219 MB of memory in use. ENERGY: 358600 708.0412 2043.1918 1966.7719 113.7627 -206127.7071 17612.4654 0.0000 0.0000 34360.7268 -149322.7472 300.0808 -183683.4740 -149226.8094 298.9785 -44.7472 -14.7401 556203.3674 8.4788 8.6243 PRESSURE: 358800 1.92843 29.6996 -83.3502 29.6996 -7.43394 -109.226 -83.3499 -109.224 148.473 GPRESSURE: 358800 16.7969 14.8461 -75.5675 -37.6815 66.2431 -172.816 -98.2881 -108.762 154.264 PRESSAVG: 358800 30.0183 -2.53393 -12.5683 -2.53398 -53.3046 52.1791 -12.5684 52.179 8.71954 GPRESSAVG: 358800 29.7167 -3.20969 -11.7588 -3.58985 -54.258 50.5293 -13.6375 52.9985 10.2286 TIMING: 358800 CPU: 1042.76, 0.00289791/step Wall: 1042.76, 0.00289791/step, 3.73605 hours remaining, 203.324219 MB of memory in use. ENERGY: 358800 767.4595 2085.6164 1956.8358 93.0162 -206191.7474 17975.3715 0.0000 0.0000 34077.4282 -149236.0197 297.6067 -183313.4479 -149142.1193 298.7627 47.6559 79.1013 558713.3411 -4.8556 -4.7709 PRESSURE: 359000 -74.1998 173.357 -66.1339 173.356 112.32 30.2905 -66.1345 30.2909 330.323 GPRESSURE: 359000 -22.894 214.927 -72.0527 172.045 139.918 52.6668 -107.72 42.3797 344.824 PRESSAVG: 359000 -44.2269 37.7601 -0.485868 37.7601 9.57981 4.20183 -0.485971 4.20182 13.9475 GPRESSAVG: 359000 -45.138 36.4918 -0.850329 38.6725 11.7921 3.31936 1.99626 4.66874 12.7903 TIMING: 359000 CPU: 1043.34, 0.00290409/step Wall: 1043.34, 0.00290409/step, 3.74385 hours remaining, 203.324219 MB of memory in use. ENERGY: 359000 755.4887 2107.4324 1985.1516 123.7471 -206480.4727 17962.8925 0.0000 0.0000 34358.5500 -149187.2105 300.0618 -183545.7605 -149093.6362 298.3774 122.8144 153.9492 555578.9558 -6.8998 -6.8519 PRESSURE: 359200 152.143 98.2033 3.58382 98.204 141.049 47.2434 3.58364 47.2437 -78.8419 GPRESSURE: 359200 208.492 22.6291 26.0429 151.682 117.032 38.9235 -68.1675 16.7019 -19.7995 PRESSAVG: 359200 -40.3559 68.1005 -15.0002 68.1004 20.4842 -9.60187 -15.0003 -9.60196 -7.69978 GPRESSAVG: 359200 -39.1725 67.5694 -12.8179 69.867 19.1993 -11.5852 -17.6244 -8.64598 -7.47511 TIMING: 359200 CPU: 1043.93, 0.00290639/step Wall: 1043.93, 0.00290639/step, 3.74665 hours remaining, 203.324219 MB of memory in use. ENERGY: 359200 721.9204 2114.2978 1968.5343 119.3976 -205844.5707 17787.6006 0.0000 0.0000 34115.9319 -149016.8880 297.9429 -183132.8200 -148918.4574 299.6466 71.4502 101.9084 557109.5253 -9.1905 -9.1495 PRESSURE: 359400 114.413 -12.7303 -30.607 -12.7299 172.684 7.03252 -30.608 7.03256 -74.7639 GPRESSURE: 359400 137.718 52.26 -72.2614 -193.717 204.137 -68.1274 43.7566 92.2659 -24.3964 PRESSAVG: 359400 29.9481 12.0891 4.0944 12.0892 5.14031 42.3619 4.09436 42.3618 -14.1875 GPRESSAVG: 359400 30.1097 13.5339 1.16475 11.8935 5.36106 44.3847 6.26344 42.2845 -14.8471 TIMING: 359400 CPU: 1044.52, 0.00294445/step Wall: 1044.52, 0.00294445/step, 3.79556 hours remaining, 203.324219 MB of memory in use. ENERGY: 359400 738.1840 2068.9774 1965.4032 115.0837 -205818.1340 17736.5490 0.0000 0.0000 34154.1703 -149039.7664 298.2769 -183193.9366 -148948.0372 299.2144 70.7776 105.8195 556408.4180 6.9670 6.8746 PRESSURE: 359600 141.149 -109.584 0.0867597 -109.583 24.3501 -11.3277 0.0863912 -11.327 62.7521 GPRESSURE: 359600 162.186 -183.364 -27.9811 -49.4756 51.4379 -19.0361 -29.6566 -43.0101 108.677 PRESSAVG: 359600 51.7697 -1.22968 6.83306 -1.22963 39.9912 0.292845 6.83297 0.292813 -101.941 GPRESSAVG: 359600 52.3865 -2.26258 7.8038 -2.90331 39.1923 3.55167 5.37691 -3.04052 -101.952 TIMING: 359600 CPU: 1045.09, 0.00289835/step Wall: 1045.09, 0.00289835/step, 3.73597 hours remaining, 203.324219 MB of memory in use. ENERGY: 359600 723.0443 2052.4342 1966.0232 117.8528 -206243.9453 17880.6534 0.0000 0.0000 34524.7174 -148979.2198 301.5129 -183503.9373 -148872.2956 299.4649 76.0837 107.4336 556869.9475 -3.3934 -3.4576 PRESSURE: 359800 -135.124 114.176 58.6289 114.176 -77.285 58.8044 58.6294 58.8039 -264.586 GPRESSURE: 359800 -128.41 230.073 125.982 -2.04455 -45.3998 66.2227 40.9285 56.1787 -224.452 PRESSAVG: 359800 23.1512 -12.8691 -1.91103 -12.8691 67.1907 -4.96977 -1.91114 -4.96976 -44.3581 GPRESSAVG: 359800 21.7714 -12.317 -1.87221 -11.661 69.1779 -7.97259 0.97378 -3.10931 -45.2599 TIMING: 359800 CPU: 1045.67, 0.00287246/step Wall: 1045.67, 0.00287246/step, 3.70244 hours remaining, 203.324219 MB of memory in use. ENERGY: 359800 774.0427 2081.7557 2014.3418 115.5983 -205776.0891 17658.8074 0.0000 0.0000 34280.7919 -148850.7514 299.3827 -183131.5433 -148752.2022 300.5165 -158.9985 -132.7539 558798.2784 15.3279 15.2298 PRESSURE: 360000 206.193 166.079 83.4262 166.079 -106.614 -75.6447 83.4255 -75.6462 -127.642 GPRESSURE: 360000 241.302 140.783 235.101 222.881 -96.5687 -27.9893 -1.52926 -66.8928 -84.1277 PRESSAVG: 360000 68.8919 52.8178 8.95239 52.8178 -1.00432 11.8839 8.95244 11.8838 -64.9942 GPRESSAVG: 360000 69.3276 51.1761 9.18389 54.2152 -2.02602 12.4781 5.9461 10.7658 -64.0915 TIMING: 360000 CPU: 1046.25, 0.00288028/step Wall: 1046.25, 0.00288028/step, 3.71236 hours remaining, 203.324219 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: 360000 767.6686 2092.6024 1998.1792 113.4178 -205962.3556 17880.7696 0.0000 0.0000 34227.6011 -148882.1170 298.9182 -183109.7181 -148795.5545 299.5974 -9.3543 20.2017 557946.4200 0.9645 1.0700 PRESSURE: 360200 229.318 -24.3946 190.347 -24.3934 -201.293 -64.7097 190.347 -64.7089 -206.112 GPRESSURE: 360200 274.462 -31.4675 257.297 -60.6346 -128.861 26.4966 140.183 -143.585 -215.629 PRESSAVG: 360200 94.3049 58.4959 21.294 58.4959 -44.2057 -11.761 21.2941 -11.7609 -17.813 GPRESSAVG: 360200 94.8948 59.0996 20.8597 55.0866 -43.4271 -10.0631 22.0322 -10.7393 -19.3064 TIMING: 360200 CPU: 1046.82, 0.00288151/step Wall: 1046.82, 0.00288151/step, 3.71379 hours remaining, 203.324219 MB of memory in use. ENERGY: 360200 752.6105 2093.2427 1995.6389 101.1265 -206251.5535 17890.5349 0.0000 0.0000 34498.3733 -148920.0265 301.2829 -183418.3999 -148821.9204 300.4167 -59.3625 -23.3428 557877.1866 10.7621 10.7204 LDB: ============= START OF LOAD BALANCING ============== 1050.29 LDB: ============== END OF LOAD BALANCING =============== 1050.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1050.29 LDB: ============= START OF LOAD BALANCING ============== 1050.58 LDB: Largest compute 4820 load 0.027708 is 23.6% of average load 0.117492 LDB: Average compute 0.001737 is 1.5% of average load 0.117492 LDB: TIME 1050.58 LOAD: AVG 0.117492 MAX 0.176519 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.023 MB LDB: TIME 1050.58 LOAD: AVG 0.117492 MAX 0.176519 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.086 MB LDB: TIME 1050.58 LOAD: AVG 0.117492 MAX 0.176519 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1050.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1050.59 PRESSURE: 360400 -18.9696 -55.4755 -76.9681 -55.4751 -270.209 -98.5091 -76.9684 -98.5093 -56.0821 GPRESSURE: 360400 -48.4009 -93.0589 -52.2841 11.4155 -208.387 -53.8598 -51.8852 -86.8957 2.42237 PRESSAVG: 360400 5.62054 -7.54395 -10.6009 -7.54396 -27.1911 30.7356 -10.6008 30.7357 -12.1609 GPRESSAVG: 360400 4.74929 -5.8987 -12.2292 -5.80062 -27.612 28.5383 -7.91047 31.9018 -10.5353 TIMING: 360400 CPU: 1047.41, 0.00295331/step Wall: 1047.41, 0.00295331/step, 3.80615 hours remaining, 202.535156 MB of memory in use. ENERGY: 360400 720.0809 2164.4887 1985.1759 118.1400 -205678.4208 17602.4247 0.0000 0.0000 34410.9508 -148677.1599 300.5194 -183088.1107 -148583.2851 300.7126 -115.0869 -84.7886 559396.6008 -11.2438 -11.1327 PRESSURE: 360600 12.1825 7.95803 104.603 7.95693 67.4445 -122.894 104.605 -122.894 154.169 GPRESSURE: 360600 66.7987 -2.72152 175.423 -34.3337 50.6039 -113.041 164.107 -215.594 206.155 PRESSAVG: 360600 -35.3039 -18.5031 -25.4342 -18.5032 -4.01313 -3.56565 -25.4342 -3.56562 57.857 GPRESSAVG: 360600 -34.8007 -19.9952 -24.6207 -17.6295 -3.447 -3.76674 -27.0573 -3.78564 56.9441 TIMING: 360600 CPU: 1047.99, 0.00291394/step Wall: 1047.99, 0.00291394/step, 3.75526 hours remaining, 202.546875 MB of memory in use. ENERGY: 360600 749.7300 2068.8493 1993.4908 107.8746 -206166.2805 18028.3949 0.0000 0.0000 34433.0815 -148784.8594 300.7127 -183217.9409 -148680.3723 300.0182 77.9319 107.8525 557875.3331 6.1800 6.2321 PRESSURE: 360800 -19.1152 -71.7597 117.51 -71.7604 -90.8769 153.324 117.51 153.324 31.6203 GPRESSURE: 360800 -10.5794 -19.3869 166.412 -81.0401 -53.5385 135.94 122.925 129.18 75.545 PRESSAVG: 360800 37.9251 -29.7656 3.27015 -29.7655 15.8285 0.938891 3.27014 0.938914 -20.4682 GPRESSAVG: 360800 36.9501 -27.2473 2.85516 -31.512 15.2489 0.153853 1.9965 2.09351 -19.3418 TIMING: 360800 CPU: 1048.58, 0.00290795/step Wall: 1048.58, 0.00290795/step, 3.74737 hours remaining, 202.546875 MB of memory in use. ENERGY: 360800 758.7454 2097.1150 1998.3885 114.1194 -205922.5278 17731.1189 0.0000 0.0000 34302.9838 -148920.0568 299.5765 -183223.0406 -148822.5283 299.8371 -26.1239 3.8090 557878.0647 11.0951 10.9524 PRESSURE: 361000 -62.2445 -95.148 128.329 -95.148 -54.366 -43.4923 128.33 -43.49 -27.3757 GPRESSURE: 361000 -35.8105 16.6524 167.484 -141.718 -32.8774 -63.3254 106.291 14.3557 36.49 PRESSAVG: 361000 21.656 48.8055 56.9733 48.8054 20.8255 -3.19389 56.9733 -3.19388 -15.2001 GPRESSAVG: 361000 22.0966 45.8854 56.5854 49.7099 21.2973 -3.64758 57.7196 -3.8023 -16.0152 TIMING: 361000 CPU: 1049.16, 0.00289634/step Wall: 1049.16, 0.00289634/step, 3.73225 hours remaining, 202.546875 MB of memory in use. ENERGY: 361000 718.2947 2069.4815 1975.4213 104.3180 -206040.1234 17790.4922 0.0000 0.0000 34322.4123 -149059.7034 299.7462 -183382.1157 -148962.5653 299.4310 -47.9954 -10.7326 558589.8041 9.0938 9.1262 PRESSURE: 361200 -50.4298 -238.378 68.0167 -238.379 -164.421 -46.3165 68.0163 -46.3177 -308.307 GPRESSURE: 361200 -6.32599 -256.199 80.0926 -239.275 -74.9747 18.0102 98.2115 -106.213 -342.427 PRESSAVG: 361200 -16.3277 -56.7219 69.9354 -56.7218 22.8145 -31.956 69.9354 -31.9562 18.1779 GPRESSAVG: 361200 -15.9852 -55.8409 70.2335 -57.0948 22.5822 -31.4945 72.6388 -32.1612 18.1349 TIMING: 361200 CPU: 1049.73, 0.00289499/step Wall: 1049.73, 0.00289499/step, 3.73036 hours remaining, 202.546875 MB of memory in use. ENERGY: 361200 739.8889 2142.5765 1974.8374 105.8911 -205636.5676 17536.5852 0.0000 0.0000 34243.9434 -148892.8452 299.0609 -183136.7885 -148799.7450 299.7355 -174.3859 -141.2424 560178.9601 8.2216 8.2440 PRESSURE: 361400 -183.574 4.25123 -27.35 4.25137 -265.07 -118.672 -27.3504 -118.671 -300.484 GPRESSURE: 361400 -177.184 36.4507 -122.541 27.5524 -230.222 -193.203 38.8472 -86.8911 -238.227 PRESSAVG: 361400 35.6439 13.2874 1.24475 13.2874 6.83672 -104.217 1.24465 -104.217 -39.2031 GPRESSAVG: 361400 35.5461 12.7515 4.10985 13.9672 6.78501 -105.039 -1.15745 -102.463 -39.6568 TIMING: 361400 CPU: 1050.31, 0.00289145/step Wall: 1050.31, 0.00289145/step, 3.72564 hours remaining, 202.546875 MB of memory in use. ENERGY: 361400 757.2972 2114.4973 1961.0919 126.5548 -205622.8325 17551.8990 0.0000 0.0000 34283.7363 -148827.7559 299.4084 -183111.4923 -148728.8491 300.3411 -249.7091 -215.2109 559636.9106 1.0925 0.8914 PRESSURE: 361600 -139.699 -126.09 -11.0587 -126.09 -89.9146 -170.995 -11.0587 -170.995 -227.115 GPRESSURE: 361600 -81.691 -181.246 -52.5373 15.7746 -65.32 -153.771 -26.0354 -136.222 -216.249 PRESSAVG: 361600 48.1117 32.0155 -22.703 32.0155 16.8971 -50.9308 -22.703 -50.9309 -65.374 GPRESSAVG: 361600 48.5034 32.5028 -25.4353 32.1781 17.2856 -49.4522 -22.3814 -53.6116 -65.7142 TIMING: 361600 CPU: 1050.89, 0.00290143/step Wall: 1050.89, 0.00290143/step, 3.73833 hours remaining, 202.546875 MB of memory in use. ENERGY: 361600 784.8293 2137.0173 1997.5371 101.2148 -206128.7188 17706.1697 0.0000 0.0000 34515.9337 -148886.0169 301.4362 -183401.9506 -148787.8980 300.4056 -152.2428 -121.0868 559208.5163 -0.1217 0.0249 PRESSURE: 361800 -63.9842 -10.129 -3.16347 -10.1294 187.769 -85.3843 -3.16371 -85.3835 -122.749 GPRESSURE: 361800 -30.8379 -65.9506 37.2701 -18.9966 171.657 -99.1374 -28.8045 -104.417 -44.1447 PRESSAVG: 361800 31.3812 -8.49799 0.57675 -8.49791 -23.7123 -69.6268 0.576629 -69.6267 -56.6082 GPRESSAVG: 361800 30.4219 -10.3129 0.43044 -5.86196 -24.5823 -70.0232 -0.0449447 -69.1899 -55.352 TIMING: 361800 CPU: 1051.48, 0.00291171/step Wall: 1051.48, 0.00291171/step, 3.75142 hours remaining, 202.546875 MB of memory in use. ENERGY: 361800 762.1856 2117.4152 1968.5520 116.2024 -206245.8491 17874.3028 0.0000 0.0000 34385.1297 -149022.0614 300.2939 -183407.1911 -148933.0997 299.5690 0.3451 32.2247 558549.4064 -16.3131 -16.5042 PRESSURE: 362000 77.0853 71.1891 -125.225 71.1886 -153.056 -46.3984 -125.225 -46.3983 -23.1782 GPRESSURE: 362000 49.2987 95.5277 -94.9577 64.0759 -124.185 -53.9104 -138.966 -72.9765 57.4719 PRESSAVG: 362000 65.8768 101.435 26.8953 101.435 -17.0577 -18.1498 26.8953 -18.1498 -48.9427 GPRESSAVG: 362000 66.1365 102.894 29.3745 98.4956 -16.6214 -16.4759 27.4661 -18.4844 -50.4801 TIMING: 362000 CPU: 1052.06, 0.00289997/step Wall: 1052.06, 0.00289997/step, 3.73613 hours remaining, 202.546875 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: 362000 783.0167 2099.3326 1998.2188 115.4162 -206089.7656 17833.4684 0.0000 0.0000 34299.3880 -148960.9249 299.5451 -183260.3129 -148870.6543 299.7615 -33.0495 -5.8049 558412.1680 -0.0412 -0.3217 PRESSURE: 362200 10.3239 112.193 1.50747 112.195 195.232 43.1744 1.507 43.1744 103.503 GPRESSURE: 362200 90.8448 116.371 3.5604 78.9314 200.096 37.3628 54.6712 33.9549 126.046 PRESSAVG: 362200 22.0048 88.2925 26.6521 88.2925 -10.093 -41.3701 26.652 -41.3701 49.7502 GPRESSAVG: 362200 22.5687 86.2547 26.5847 87.4412 -11.0701 -41.8444 26.7075 -41.9149 50.2445 TIMING: 362200 CPU: 1052.64, 0.00291067/step Wall: 1052.64, 0.00291067/step, 3.74975 hours remaining, 202.546875 MB of memory in use. ENERGY: 362200 725.0665 2108.2778 1967.4484 104.9821 -206574.5558 18193.9639 0.0000 0.0000 34467.9582 -149006.8591 301.0173 -183474.8172 -148900.4626 300.2539 103.0196 138.9953 557610.9313 20.5540 20.5810 PRESSURE: 362400 117.47 124.641 21.5255 124.641 -113.476 62.5465 21.5241 62.5467 -366.071 GPRESSURE: 362400 171.412 43.3932 52.7429 153.623 -107.625 81.8623 -42.8974 106.788 -337.821 PRESSAVG: 362400 65.2361 89.2802 62.6313 89.28 9.63444 20.7846 62.6313 20.7847 -45.6854 GPRESSAVG: 362400 63.609 90.2646 63.2792 89.3581 10.9443 21.2157 61.7104 20.8987 -45.2118 TIMING: 362400 CPU: 1053.22, 0.00289341/step Wall: 1053.22, 0.00289341/step, 3.72735 hours remaining, 202.546875 MB of memory in use. ENERGY: 362400 725.6213 2083.6740 1997.8464 124.0578 -205819.7404 17555.6550 0.0000 0.0000 34173.9739 -149158.9119 298.4498 -183332.8858 -149053.1135 299.4513 -120.6926 -91.3451 559474.7262 9.7284 9.7805 PRESSURE: 362600 -170.48 -78.0607 184.563 -78.0602 -92.5876 -98.7362 184.564 -98.7352 80.612 GPRESSURE: 362600 -51.6559 -104.846 142.517 -60.8278 -83.0606 -83.0656 128.47 -69.0205 43.8582 PRESSAVG: 362600 9.12154 -29.9242 61.2551 -29.9243 -4.03015 1.60234 61.2551 1.60246 -62.5995 GPRESSAVG: 362600 10.863 -27.5126 61.6073 -28.9463 -5.20452 -0.781464 60.1141 2.37105 -63.4441 TIMING: 362600 CPU: 1053.8, 0.00289228/step Wall: 1053.8, 0.00289228/step, 3.72574 hours remaining, 202.546875 MB of memory in use. ENERGY: 362600 720.3679 2112.9549 1972.3192 131.5410 -206156.4647 17729.6373 0.0000 0.0000 34335.3911 -149154.2533 299.8595 -183489.6444 -149058.6159 299.5241 -60.8186 -30.2861 557531.8026 -19.1694 -19.2619 PRESSURE: 362800 97.7487 98.5941 43.7414 98.5947 -52.1093 33.8262 43.7422 33.8281 -69.7154 GPRESSURE: 362800 114.694 129.683 30.2637 35.2116 38.3135 20.3611 21.9661 82.0105 -62.2135 PRESSAVG: 362800 54.452 7.06692 -7.81966 7.06686 -36.5148 -11.0347 -7.8196 -11.0345 3.63023 GPRESSAVG: 362800 53.4161 6.29162 -8.6685 4.83717 -36.201 -10.0009 -8.10501 -11.2336 4.51248 TIMING: 362800 CPU: 1054.38, 0.00293953/step Wall: 1054.38, 0.00293953/step, 3.78644 hours remaining, 202.546875 MB of memory in use. ENERGY: 362800 744.7747 2098.8023 1965.7344 115.4710 -206104.3681 17798.7145 0.0000 0.0000 34226.6666 -149154.2046 298.9100 -183380.8713 -149068.4559 299.0665 -8.0253 30.2646 557715.7909 7.1892 7.2425 PRESSURE: 363000 -131.947 -186.685 64.5915 -186.684 -265.572 -56.2005 64.5913 -56.2003 -54.1807 GPRESSURE: 363000 -116.74 -174.967 106.685 -215.019 -233.593 -16.4847 61.6343 -26.7403 -7.99824 PRESSAVG: 363000 57.5351 -54.6416 -2.43499 -54.6417 -5.22087 54.9541 -2.43495 54.954 -66.2987 GPRESSAVG: 363000 56.1334 -54.7868 -3.3672 -51.722 -4.56052 55.7721 -2.92898 54.3566 -65.7287 TIMING: 363000 CPU: 1054.97, 0.00293456/step Wall: 1054.97, 0.00293456/step, 3.77987 hours remaining, 202.546875 MB of memory in use. ENERGY: 363000 722.4397 2106.2730 1957.7557 119.4304 -205898.0492 17660.2539 0.0000 0.0000 34186.4445 -149145.4521 298.5587 -183331.8966 -149046.0016 299.2384 -150.5666 -119.4438 557084.9802 -4.6615 -4.7186 PRESSURE: 363200 -384.908 14.43 -133.438 14.4306 276.005 91.6535 -133.439 91.6507 -146.024 GPRESSURE: 363200 -321.039 6.04985 -88.6769 51.1673 276.521 88.4743 -65.809 45.123 -116.243 PRESSAVG: 363200 3.07876 -103.113 -19.1655 -103.113 69.8561 46.4142 -19.1656 46.4141 -84.959 GPRESSAVG: 363200 4.5564 -104.738 -17.6307 -105.388 68.2535 44.735 -17.4698 47.6394 -85.1456 TIMING: 363200 CPU: 1055.56, 0.00294815/step Wall: 1055.56, 0.00294815/step, 3.79721 hours remaining, 202.546875 MB of memory in use. ENERGY: 363200 752.5199 2089.9916 1969.2220 104.2197 -206067.5647 17608.8061 0.0000 0.0000 34403.8980 -149138.9075 300.4578 -183542.8055 -149045.8702 299.3005 -84.9757 -53.5869 556566.9648 -4.0081 -4.1119 PRESSURE: 363400 252.116 135.127 -132.753 135.127 209.035 25.9311 -132.753 25.9313 504.014 GPRESSURE: 363400 284.404 117.964 -114.34 112.771 258.794 13.5572 -108.448 -2.96828 512.836 PRESSAVG: 363400 2.46558 -12.3256 41.5688 -12.3256 76.7587 -4.06439 41.5688 -4.06431 -48.3423 GPRESSAVG: 363400 1.47428 -10.2562 42.1611 -10.4446 77.8432 -4.3325 40.8637 -2.5222 -48.6208 TIMING: 363400 CPU: 1056.14, 0.00290279/step Wall: 1056.14, 0.00290279/step, 3.73863 hours remaining, 202.546875 MB of memory in use. ENERGY: 363400 730.5607 2150.7538 1995.8076 123.6349 -206548.3957 18144.6212 0.0000 0.0000 34086.1163 -149316.9011 297.6825 -183403.0174 -149225.1068 298.8782 321.7219 352.0112 554273.6628 10.2940 10.2322 PRESSURE: 363600 -48.9265 -184.76 -247.17 -184.759 -6.095 21.177 -247.17 21.1777 180.344 GPRESSURE: 363600 -4.29444 -157.523 -213.359 -208.923 12.685 12.6285 -305.156 -29.4652 213.706 PRESSAVG: 363600 -47.8554 3.635 -39.7708 3.63492 -6.89948 -18.0574 -39.7708 -18.0574 78.9112 GPRESSAVG: 363600 -47.5576 0.737716 -40.8228 3.16402 -7.71013 -16.9325 -39.131 -19.5534 79.1196 TIMING: 363600 CPU: 1056.73, 0.00293959/step Wall: 1056.73, 0.00293959/step, 3.78586 hours remaining, 202.546875 MB of memory in use. ENERGY: 363600 767.4912 2088.3144 1962.2739 121.1051 -206449.2878 17784.6586 0.0000 0.0000 34355.8505 -149369.5941 300.0382 -183725.4446 -149271.6468 298.2745 41.7742 74.0322 556404.0872 8.0521 7.9506 PRESSURE: 363800 -66.993 38.9116 -70.8101 38.9117 124.759 -29.8584 -70.8108 -29.8587 -152.078 GPRESSURE: 363800 -69.0166 103.12 -106.754 -63.3292 197.414 -108.971 -80.827 -66.1 -129.45 PRESSAVG: 363800 74.4826 -17.3778 -20.2701 -17.3777 -65.0527 50.2569 -20.2702 50.2569 27.159 GPRESSAVG: 363800 74.3594 -15.3828 -20.4303 -19.4098 -63.9147 49.9365 -19.3612 48.9003 25.7934 TIMING: 363800 CPU: 1057.31, 0.00288792/step Wall: 1057.31, 0.00288792/step, 3.71917 hours remaining, 202.546875 MB of memory in use. ENERGY: 363800 745.7123 2101.1465 1978.6981 115.3235 -206093.2773 17696.2463 0.0000 0.0000 34309.6993 -149146.4512 299.6351 -183456.1506 -149054.4892 299.3858 -31.4376 -0.3508 556329.3385 12.1963 12.0794 PRESSURE: 364000 -140.266 23.3196 94.3637 23.3196 34.1238 31.3721 94.3626 31.3736 245.214 GPRESSURE: 364000 -34.9042 7.37643 145.616 -8.4368 57.0199 39.6636 28.428 27.4469 236.965 PRESSAVG: 364000 9.78645 -7.68067 -2.38155 -7.68067 -41.5154 11.2303 -2.38153 11.2302 51.6925 GPRESSAVG: 364000 10.8058 -8.43969 -3.19123 -5.84237 -42.5352 10.9029 -2.49834 11.3546 51.4686 TIMING: 364000 CPU: 1057.89, 0.00292022/step Wall: 1057.89, 0.00292022/step, 3.7606 hours remaining, 202.546875 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: 364000 772.5752 2049.4434 1975.3972 115.5725 -206730.6459 18175.7739 0.0000 0.0000 34431.7414 -149210.1423 300.7010 -183641.8837 -149115.7621 299.1591 46.3572 86.3603 558225.7363 6.6545 6.5797 PRESSURE: 364200 -19.4522 -117.417 78.0269 -117.417 -97.258 -97.3151 78.0279 -97.316 -36.4809 GPRESSURE: 364200 1.625 -161.982 40.3604 -97.5854 -69.2002 -111.753 37.049 -82.127 10.6826 PRESSAVG: 364200 16.1788 -1.77205 23.0698 -1.77201 -69.4807 -15.197 23.0698 -15.197 43.4291 GPRESSAVG: 364200 13.7864 -4.86471 24.207 -1.32391 -68.6535 -14.7597 21.4772 -14.4535 44.8051 TIMING: 364200 CPU: 1058.47, 0.00289432/step Wall: 1058.47, 0.00289432/step, 3.72708 hours remaining, 202.546875 MB of memory in use. ENERGY: 364200 726.3608 2122.7444 2004.0559 131.0123 -205984.5462 17642.8753 0.0000 0.0000 34114.4674 -149243.0301 297.9301 -183357.4975 -149144.3562 299.2411 -51.0637 -18.9642 558581.9189 -3.2909 -3.3540 LDB: ============= START OF LOAD BALANCING ============== 1061.93 LDB: ============== END OF LOAD BALANCING =============== 1061.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1061.93 LDB: ============= START OF LOAD BALANCING ============== 1062.22 LDB: Largest compute 4820 load 0.026816 is 22.8% of average load 0.117448 LDB: Average compute 0.001740 is 1.5% of average load 0.117448 LDB: TIME 1062.22 LOAD: AVG 0.117448 MAX 0.177151 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.117 MB LDB: TIME 1062.23 LOAD: AVG 0.117448 MAX 0.177151 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: TIME 1062.23 LOAD: AVG 0.117448 MAX 0.177151 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1062.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1062.23 PRESSURE: 364400 -2.87333 1.84589 77.2442 1.84546 166.842 95.071 77.2448 95.0708 57.1908 GPRESSURE: 364400 70.7336 -15.8571 34.0598 -39.8785 186.951 100.98 53.1685 58.9123 65.9226 PRESSAVG: 364400 4.41354 -44.9876 -12.3667 -44.9876 -48.8425 34.9685 -12.3667 34.9685 92.1104 GPRESSAVG: 364400 6.20126 -43.7747 -12.3835 -45.7711 -49.5365 33.9876 -10.8063 35.2067 91.1882 TIMING: 364400 CPU: 1059.06, 0.00293816/step Wall: 1059.06, 0.00293816/step, 3.78337 hours remaining, 204.972656 MB of memory in use. ENERGY: 364400 766.0621 2121.4956 1959.5351 117.1118 -206837.3269 18079.2224 0.0000 0.0000 34233.0000 -149560.8998 298.9653 -183793.8998 -149468.2788 298.5482 73.7198 107.8692 556227.6583 15.8938 15.9510 PRESSURE: 364600 -26.8874 -52.2296 -105.521 -52.2284 268.936 -68.3004 -105.521 -68.2992 -322.177 GPRESSURE: 364600 -47.4966 -124.648 -142.546 77.0711 244.816 -29.7713 -50.7547 17.9117 -182.854 PRESSAVG: 364600 -5.78408 10.8153 -32.5059 10.8152 14.2035 2.72325 -32.506 2.72327 -27.2074 GPRESSAVG: 364600 -7.08233 12.8514 -32.4302 9.8933 15.3416 5.35027 -33.8109 3.4469 -27.0452 TIMING: 364600 CPU: 1059.63, 0.0028859/step Wall: 1059.63, 0.0028859/step, 3.71592 hours remaining, 204.972656 MB of memory in use. ENERGY: 364600 761.5766 2117.7070 1984.4236 116.2442 -206393.5719 17833.8019 0.0000 0.0000 34047.6973 -149532.1213 297.3470 -183579.8186 -149426.6633 298.3528 -26.7095 4.8218 556094.8115 -6.2626 -6.2620 PRESSURE: 364800 157.393 38.0383 -62.4725 38.0384 -197.264 -168.415 -62.4728 -168.417 -9.75849 GPRESSURE: 364800 199.51 4.12335 -78.7355 126.453 -176.636 -180.351 -63.381 -174.978 16.9962 PRESSAVG: 364800 1.26762 52.7825 -60.1215 52.7826 -15.5425 -55.0025 -60.1215 -55.0026 -7.84853 GPRESSAVG: 364800 2.35632 49.8201 -61.0586 55.7871 -17.1456 -56.446 -58.9713 -55.3328 -7.79495 TIMING: 364800 CPU: 1060.21, 0.00289135/step Wall: 1060.21, 0.00289135/step, 3.72277 hours remaining, 204.980469 MB of memory in use. ENERGY: 364800 719.3774 2060.8436 1975.0141 104.3214 -206546.9984 17922.5195 0.0000 0.0000 34212.9095 -149552.0129 298.7898 -183764.9224 -149457.5893 297.5672 -16.5431 13.2900 557497.8702 -7.3745 -7.5281 PRESSURE: 365000 18.1535 -85.5387 79.471 -85.5395 49.6999 -79.846 79.4713 -79.8491 -101.278 GPRESSURE: 365000 15.4328 -99.0037 24.8201 -97.9657 67.4752 -21.5243 93.7414 -157.647 -15.9599 PRESSAVG: 365000 36.4594 49.254 -24.3349 49.2539 35.2923 14.1187 -24.3349 14.1188 -94.8242 GPRESSAVG: 365000 35.9309 49.9888 -25.3082 49.1522 35.6322 15.0977 -22.6234 14.3566 -94.2763 TIMING: 365000 CPU: 1060.79, 0.00290077/step Wall: 1060.79, 0.00290077/step, 3.73474 hours remaining, 204.980469 MB of memory in use. ENERGY: 365000 710.8814 2113.4075 1989.3828 121.2336 -206419.8196 17798.8676 0.0000 0.0000 34004.4790 -149681.5679 296.9696 -183686.0469 -149583.2381 298.1661 -11.1416 22.3160 557355.4807 -7.6908 -7.5710 PRESSURE: 365200 -323.717 78.2097 -173.116 78.2096 -171.171 100.56 -173.118 100.561 -76.5211 GPRESSURE: 365200 -268.729 111.136 -153.348 31.4434 -117.202 137.547 -153.627 66.6992 -69.884 PRESSAVG: 365200 26.5241 15.3893 -65.1787 15.3892 -19.1518 -19.4417 -65.1787 -19.4417 -12.9456 GPRESSAVG: 365200 27.844 16.9326 -64.7805 14.2275 -19.1139 -21.4725 -67.125 -20.7859 -13.7307 TIMING: 365200 CPU: 1061.37, 0.00289324/step Wall: 1061.37, 0.00289324/step, 3.72489 hours remaining, 204.980469 MB of memory in use. ENERGY: 365200 748.8697 2087.2470 1975.6103 115.3618 -206492.7651 17680.6593 0.0000 0.0000 34141.3282 -149743.6888 298.1647 -183885.0170 -149642.6906 297.9881 -190.4696 -151.9384 556096.8506 -1.8578 -1.6669 PRESSURE: 365400 34.4376 -61.9159 -158.113 -61.9157 294.595 -78.3459 -158.114 -78.3466 102.296 GPRESSURE: 365400 79.743 -131.458 -191.542 -24.2066 324.569 -16.1794 -165.004 -79.0769 120.889 PRESSAVG: 365400 43.828 39.2126 -58.4017 39.2126 14.9538 15.4487 -58.4017 15.4486 -44.1925 GPRESSAVG: 365400 43.657 39.4124 -58.1799 38.5419 14.2875 18.5682 -57.7336 15.5216 -43.9828 TIMING: 365400 CPU: 1061.95, 0.00289547/step Wall: 1061.95, 0.00289547/step, 3.7276 hours remaining, 204.980469 MB of memory in use. ENERGY: 365400 672.3376 2041.6201 1939.5823 119.3019 -206954.9524 18131.1535 0.0000 0.0000 34154.1684 -149896.7886 298.2768 -184050.9570 -149802.0357 297.3923 143.7761 175.0672 556233.2598 4.8631 4.6539 PRESSURE: 365600 -117.779 26.7394 -49.378 26.7403 -301.066 -197.382 -49.378 -197.383 -205.598 GPRESSURE: 365600 -71.6717 -8.76509 -7.04703 33.8734 -324.075 -153.246 -27.2687 -221.377 -134.629 PRESSAVG: 365600 41.6958 -26.4367 -62.9573 -26.4367 11.8577 -28.9699 -62.9572 -28.9698 -0.0760601 GPRESSAVG: 365600 40.5768 -25.3083 -62.3862 -27.8224 11.2293 -30.9217 -63.5636 -29.8728 1.68243 TIMING: 365600 CPU: 1062.53, 0.00290165/step Wall: 1062.53, 0.00290165/step, 3.7354 hours remaining, 204.980469 MB of memory in use. ENERGY: 365600 743.2849 2117.2098 1956.0302 114.8782 -206557.1878 17602.7010 0.0000 0.0000 34137.1548 -149885.9290 298.1283 -184023.0838 -149788.1394 297.3941 -208.1478 -176.7920 556541.8715 17.8258 17.8295 PRESSURE: 365800 -66.0864 -277.003 -99.8211 -277.003 -67.6865 24.5393 -99.8212 24.5397 -167.608 GPRESSURE: 365800 -44.9244 -210.256 -79.758 -224.918 -18.3198 62.6905 8.4331 -5.47626 -140.898 PRESSAVG: 365800 15.068 24.3317 -37.3615 24.3316 -38.8661 -46.4701 -37.3616 -46.4701 30.6041 GPRESSAVG: 365800 14.6813 22.6792 -38.9677 24.8968 -38.398 -46.9816 -39.4225 -45.4845 29.9527 TIMING: 365800 CPU: 1063.11, 0.0028926/step Wall: 1063.11, 0.0028926/step, 3.72358 hours remaining, 204.980469 MB of memory in use. ENERGY: 365800 737.8673 2060.3960 1970.3765 116.8753 -206744.5644 17856.8610 0.0000 0.0000 34115.5784 -149886.6099 297.9398 -184002.1883 -149784.2606 296.9714 -100.4604 -68.0474 556605.2496 2.2687 2.0786 PRESSURE: 366000 -29.5867 110.616 -37.1833 110.616 -64.683 -135.49 -37.1824 -135.489 -43.4716 GPRESSURE: 366000 -83.3598 127.873 -28.7073 108.457 -21.8227 -128.256 -39.8509 -58.8024 61.7194 PRESSAVG: 366000 62.1333 -16.8015 -18.1169 -16.8015 6.54445 -0.909712 -18.1169 -0.909684 -17.3242 GPRESSAVG: 366000 63.2611 -15.2274 -17.817 -18.3633 5.88662 0.732457 -17.2239 -0.942229 -17.8516 TIMING: 366000 CPU: 1063.69, 0.00290631/step Wall: 1063.69, 0.00290631/step, 3.74106 hours remaining, 204.980469 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: 366000 715.7375 2062.8297 1927.7505 117.8383 -206639.6765 18004.5565 0.0000 0.0000 34061.3440 -149749.6200 297.4662 -183810.9639 -149650.2911 297.4701 -45.9138 -14.4877 557642.0059 17.1179 17.0987 PRESSURE: 366200 22.5425 -44.6852 -94.5131 -44.6859 -108.203 116.106 -94.5127 116.107 -167.428 GPRESSURE: 366200 35.3976 -121.308 -77.0406 36.1622 -69.71 73.3643 -104.171 132.186 -127.929 PRESSAVG: 366200 6.62184 -15.6176 -49.8716 -15.6175 52.5955 -3.24062 -49.8717 -3.24074 -52.64 GPRESSAVG: 366200 6.48049 -18.176 -50.2921 -12.9227 53.2978 -4.71769 -47.9095 -1.56128 -53.5851 TIMING: 366200 CPU: 1064.27, 0.00290061/step Wall: 1064.27, 0.00290061/step, 3.73357 hours remaining, 204.980469 MB of memory in use. ENERGY: 366200 737.6366 2026.4186 1953.2321 119.5645 -206582.6865 17802.3995 0.0000 0.0000 34188.9488 -149754.4863 298.5806 -183943.4351 -149656.8077 297.9719 -84.3629 -54.0803 558632.1328 2.1924 2.0644 PRESSURE: 366400 -164.954 -16.9505 -58.3925 -16.9503 191.849 -68.0788 -58.3907 -68.0783 -189.913 GPRESSURE: 366400 -68.5732 -25.2033 -52.2582 -135 178.638 -66.6755 -60.6788 -27.2572 -185.299 PRESSAVG: 366400 -49.619 -25.5585 -54.9313 -25.5584 23.263 5.0226 -54.9313 5.02249 -13.7028 GPRESSAVG: 366400 -49.2776 -24.145 -56.2214 -25.7738 22.3059 6.03908 -55.5563 2.45868 -13.4203 TIMING: 366400 CPU: 1064.86, 0.00293652/step Wall: 1064.86, 0.00293652/step, 3.77962 hours remaining, 204.980469 MB of memory in use. ENERGY: 366400 733.7287 2090.7193 1941.8880 114.7092 -206728.9099 17927.8767 0.0000 0.0000 34137.6692 -149782.3189 298.1328 -183919.9880 -149694.8297 297.4977 -54.3392 -25.0781 556821.4580 -13.3529 -13.4640 PRESSURE: 366600 107.08 19.9869 50.9779 19.987 -70.729 144.481 50.9783 144.481 -131.193 GPRESSURE: 366600 138.65 38.6889 -36.8445 -22.0024 -54.3736 162.369 59.9564 132.442 -91.5504 PRESSAVG: 366600 -46.8546 -7.45125 -24.6307 -7.45122 128.91 26.1653 -24.6307 26.1652 -63.7621 GPRESSAVG: 366600 -48.3628 -8.99887 -23.4981 -7.90222 129.928 26.8288 -23.3956 28.1573 -63.3927 TIMING: 366600 CPU: 1065.45, 0.00294743/step Wall: 1065.45, 0.00294742/step, 3.7935 hours remaining, 204.980469 MB of memory in use. ENERGY: 366600 743.7877 2057.5327 1975.0202 122.6398 -206589.7730 17835.2864 0.0000 0.0000 34233.0068 -149622.4995 298.9654 -183855.5063 -149523.5989 297.8555 -31.6139 -2.4248 556844.6429 6.0978 6.0575 PRESSURE: 366800 -227.208 -16.7842 132.409 -16.7855 -137.78 -152.792 132.409 -152.792 -51.5364 GPRESSURE: 366800 -195.401 101.794 187.407 -55.4752 -123.116 -112.2 128.765 -174.491 3.34245 PRESSAVG: 366800 -69.6945 -1.32889 51.4701 -1.32875 2.29283 -47.149 51.4701 -47.1491 -19.7924 GPRESSAVG: 366800 -69.6839 0.510179 53.2778 0.569646 4.09428 -48.9389 49.817 -48.0969 -21.4994 TIMING: 366800 CPU: 1066.03, 0.00290876/step Wall: 1066.03, 0.00290876/step, 3.74358 hours remaining, 204.980469 MB of memory in use. ENERGY: 366800 717.6656 2047.1305 1958.5388 100.8101 -206107.4079 17618.4058 0.0000 0.0000 34204.6926 -149460.1646 298.7181 -183664.8571 -149365.4397 298.4984 -138.8417 -105.0582 557399.4395 -29.0647 -29.0297 PRESSURE: 367000 -3.3546 1.57567 40.9646 1.57522 -24.8501 40.2153 40.9641 40.2152 -86.688 GPRESSURE: 367000 -20.4849 6.49152 -6.38655 92.4444 35.9864 73.7817 41.7573 -8.02379 -55.1497 PRESSAVG: 367000 -71.5601 -11.9908 50.338 -11.9908 17.6828 2.69612 50.338 2.69615 58.0534 GPRESSAVG: 367000 -72.4454 -13.4063 51.6002 -12.7831 16.3906 1.42706 49.4943 4.4068 60.7151 TIMING: 367000 CPU: 1066.61, 0.00290748/step Wall: 1066.61, 0.00290748/step, 3.74177 hours remaining, 204.980469 MB of memory in use. ENERGY: 367000 729.4601 2035.9085 1980.3603 103.8768 -206256.2754 17776.9452 0.0000 0.0000 34082.0269 -149547.6976 297.6468 -183629.7245 -149440.1638 298.1082 -38.2975 -13.2161 557344.9247 1.3921 1.5535 PRESSURE: 367200 170.289 -29.2652 98.4186 -29.2671 238.474 -106.972 98.4177 -106.972 123.081 GPRESSURE: 367200 210.315 22.6058 49.3346 -30.7795 272.884 -19.7828 62.8265 -188.824 147.081 PRESSAVG: 367200 0.765074 -34.0658 23.3155 -34.0657 -14.1437 -11.7266 23.3155 -11.7266 42.3678 GPRESSAVG: 367200 2.44627 -34.0099 19.8822 -35.5799 -15.3583 -10.6357 23.6508 -12.9999 41.9822 TIMING: 367200 CPU: 1067.19, 0.00290575/step Wall: 1067.19, 0.00290575/step, 3.73938 hours remaining, 204.980469 MB of memory in use. ENERGY: 367200 737.2891 2115.6419 1931.7741 124.8999 -206782.6468 18166.7890 0.0000 0.0000 33975.1626 -149731.0901 296.7135 -183706.2527 -149645.3291 298.1967 177.2811 210.0933 557971.7860 9.6631 9.6901 PRESSURE: 367400 16.4162 -46.9493 -73.5133 -46.9492 81.9588 -24.2558 -73.5122 -24.2537 -125.488 GPRESSURE: 367400 48.3619 -91.3231 -92.2177 -49.4766 97.78 39.2468 -83.2212 -76.3802 -79.1623 PRESSAVG: 367400 -28.0373 10.0862 5.44515 10.0862 25.8083 -0.969371 5.44516 -0.96925 19.6469 GPRESSAVG: 367400 -27.5355 8.89924 6.68029 10.8834 25.707 -0.747633 5.63557 0.33803 19.0756 TIMING: 367400 CPU: 1067.77, 0.00289153/step Wall: 1067.77, 0.00289153/step, 3.72092 hours remaining, 204.980469 MB of memory in use. ENERGY: 367400 764.7044 2012.3244 1982.3575 104.8591 -206773.2076 17955.4521 0.0000 0.0000 34174.1816 -149779.3284 298.4516 -183953.5100 -149679.7303 297.7826 -9.0377 22.3265 557837.9139 5.8060 5.7490 PRESSURE: 367600 -64.9131 11.3863 -107.223 11.385 163.173 -66.2781 -107.224 -66.279 -96.4713 GPRESSURE: 367600 -63.0562 -21.2251 -41.6272 35.729 212.807 -51.0331 -61.549 -133.073 -35.0596 PRESSAVG: 367600 -34.9865 -16.8751 -14.0856 -16.8751 49.9965 -15.7775 -14.0856 -15.7773 -15.1478 GPRESSAVG: 367600 -35.0734 -14.667 -12.7338 -19.8045 50.2472 -16.2182 -14.8044 -15.7957 -15.7135 TIMING: 367600 CPU: 1068.35, 0.00290536/step Wall: 1068.35, 0.00290536/step, 3.73856 hours remaining, 204.980469 MB of memory in use. ENERGY: 367600 747.1296 2051.5542 1980.2171 105.2154 -206499.4596 18041.6014 0.0000 0.0000 33945.6351 -149628.1069 296.4557 -183573.7420 -149529.9301 297.2974 0.5962 38.2304 557791.8511 -0.0459 -0.1799 PRESSURE: 367800 -239.002 -122.601 7.51835 -122.602 68.8852 120.96 7.51913 120.96 -61.1167 GPRESSURE: 367800 -205.063 -142.675 53.0894 -210.382 63.6311 159.134 28.4897 47.5548 8.47404 PRESSAVG: 367800 -5.2686 -16.5982 21.9107 -16.5983 21.7096 14.1159 21.9108 14.1159 -6.29581 GPRESSAVG: 367800 -5.54954 -17.1245 18.7469 -15.2833 22.2311 17.4432 23.3278 12.2905 -6.86358 TIMING: 367800 CPU: 1068.92, 0.00287282/step Wall: 1068.92, 0.00287282/step, 3.69653 hours remaining, 204.980469 MB of memory in use. ENERGY: 367800 746.0454 2058.4906 1980.1558 126.5097 -206440.8041 17867.6807 0.0000 0.0000 34036.6397 -149625.2821 297.2504 -183661.9219 -149526.4026 298.1179 -77.0778 -44.3193 556999.2958 3.3817 3.2727 PRESSURE: 368000 -30.7673 8.48261 21.6083 8.48204 63.4453 9.39736 21.608 9.39688 -39.3945 GPRESSURE: 368000 18.8179 46.5727 39.4845 10.3651 94.3829 -10.8769 4.80156 14.2018 -9.10066 PRESSAVG: 368000 -32.3218 -48.5481 -10.0746 -48.5481 65.9077 6.2273 -10.0746 6.22722 12.5477 GPRESSAVG: 368000 -32.3448 -49.1259 -7.28494 -47.9944 65.4223 3.91027 -11.6589 6.94434 12.8927 TIMING: 368000 CPU: 1069.51, 0.00290749/step Wall: 1069.51, 0.00290749/step, 3.74096 hours remaining, 204.980469 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: 368000 712.7793 2070.8959 1978.3918 115.4590 -206301.0875 17899.0970 0.0000 0.0000 33967.4671 -149556.9974 296.6463 -183524.4645 -149463.7874 297.7436 -2.2388 34.7000 557887.9686 15.3779 15.3234 PRESSURE: 368200 47.135 131.957 -21.8982 131.956 67.592 41.8165 -21.8978 41.8164 -352.694 GPRESSURE: 368200 55.9122 98.3496 -6.30934 139.851 106.434 68.6437 -30.3475 33.1215 -309.488 PRESSAVG: 368200 -27.6074 -38.7512 14.293 -38.7511 81.7484 23.8659 14.2929 23.8659 -75.7817 GPRESSAVG: 368200 -26.4952 -39.8553 12.8704 -35.848 81.9031 25.1658 14.6621 24.2056 -76.8236 TIMING: 368200 CPU: 1070.08, 0.00288111/step Wall: 1070.08, 0.00288111/step, 3.70686 hours remaining, 204.980469 MB of memory in use. ENERGY: 368200 746.3110 2070.5677 1990.6604 112.8028 -206300.3259 17728.4592 0.0000 0.0000 34174.6330 -149476.8917 298.4556 -183651.5247 -149378.6511 297.6257 -79.3224 -49.0475 556855.8098 -7.2136 -7.1385 LDB: ============= START OF LOAD BALANCING ============== 1073.55 LDB: ============== END OF LOAD BALANCING =============== 1073.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1073.55 LDB: ============= START OF LOAD BALANCING ============== 1073.84 LDB: Largest compute 4820 load 0.027553 is 23.4% of average load 0.117543 LDB: Average compute 0.001741 is 1.5% of average load 0.117543 LDB: TIME 1073.84 LOAD: AVG 0.117543 MAX 0.177571 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 201.441 MB LDB: TIME 1073.84 LOAD: AVG 0.117543 MAX 0.177571 PROXIES: TOTAL 979 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.5 MB LDB: TIME 1073.84 LOAD: AVG 0.117543 MAX 0.177571 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 201.5 MB LDB: ============== END OF LOAD BALANCING =============== 1073.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1073.85 PRESSURE: 368400 -244.425 95.1226 120.424 95.1233 171.107 -2.35763 120.422 -2.3583 -117.512 GPRESSURE: 368400 -200.283 107.19 46.7109 28.4763 168.365 127.322 138.647 21.5148 -58.1591 PRESSAVG: 368400 20.9984 -30.8165 45.2399 -30.8164 -6.41857 44.9121 45.2399 44.9121 11.3686 GPRESSAVG: 368400 20.4808 -30.5403 45.9157 -33.2571 -7.53744 44.5405 47.843 44.5043 13.0603 TIMING: 368400 CPU: 1070.67, 0.00295011/step Wall: 1070.67, 0.00295011/step, 3.79548 hours remaining, 202.015625 MB of memory in use. ENERGY: 368400 754.4892 2066.4661 1952.8402 110.6961 -206330.1678 17623.9177 0.0000 0.0000 34329.8807 -149491.8779 299.8114 -183821.7586 -149396.8335 298.6619 -63.6101 -30.0256 555471.7128 8.6495 8.6679 PRESSURE: 368600 -149.777 -166.931 7.70325 -166.931 33.3551 10.0919 7.70358 10.0918 131.21 GPRESSURE: 368600 -149.261 -103.263 27.5149 -127.614 76.701 -81.9315 46.3299 38.9856 174.409 PRESSAVG: 368600 -17.8742 -13.9437 26.7253 -13.9436 -26.4067 -18.3727 26.7253 -18.3726 38.8443 GPRESSAVG: 368600 -18.5102 -13.7412 23.6472 -11.614 -25.4202 -18.9631 25.9004 -18.5908 38.3351 TIMING: 368600 CPU: 1071.26, 0.00292494/step Wall: 1071.26, 0.00292494/step, 3.76293 hours remaining, 202.214844 MB of memory in use. ENERGY: 368600 763.6810 2093.8223 1969.8179 107.5048 -206404.8077 17872.0616 0.0000 0.0000 34157.4126 -149440.5075 298.3052 -183597.9200 -149344.9477 298.7553 4.9294 33.9500 557469.1868 -1.8122 -1.8651 PRESSURE: 368800 -174.418 -35.7307 -98.1687 -35.7316 -169.323 128.976 -98.1692 128.978 -262.571 GPRESSURE: 368800 -199.086 -41.1049 -120.248 -24.3391 -134.037 39.1869 -39.7353 204.212 -172.021 PRESSAVG: 368800 -1.18904 -32.1343 -43.8152 -32.1344 -38.6569 61.8111 -43.815 61.8112 12.3144 GPRESSAVG: 368800 -1.90345 -32.5013 -40.8737 -32.7723 -37.687 61.0478 -45.01 64.1718 12.8251 TIMING: 368800 CPU: 1071.84, 0.00289221/step Wall: 1071.84, 0.00289221/step, 3.72067 hours remaining, 202.246094 MB of memory in use. ENERGY: 368800 734.0795 2080.6171 1976.9112 118.0150 -205990.6450 17455.9337 0.0000 0.0000 34051.9977 -149573.0908 297.3846 -183625.0885 -149477.1810 298.1744 -202.1040 -168.3813 557259.3563 -9.1772 -8.9218 PRESSURE: 369000 -192.549 138.169 0.00940873 138.169 -79.0383 -29.4134 0.00946005 -29.4138 -247.396 GPRESSURE: 369000 -120.467 65.5639 -93.1206 101.517 -53.2011 -5.36237 5.92184 -93.903 -245.882 PRESSAVG: 369000 18.7086 27.317 -15.8836 27.3171 -2.9754 44.499 -15.8836 44.4989 -6.44859 GPRESSAVG: 369000 19.0767 28.2647 -17.5437 24.8692 -3.60682 44.6404 -13.9294 42.5598 -6.14654 TIMING: 369000 CPU: 1072.42, 0.0029225/step Wall: 1072.42, 0.0029225/step, 3.75947 hours remaining, 202.246094 MB of memory in use. ENERGY: 369000 756.3292 2108.2070 1939.2717 115.0026 -206209.9613 17634.4150 0.0000 0.0000 34140.9224 -149515.8134 298.1612 -183656.7358 -149420.1074 298.7624 -172.9944 -139.8500 556501.0138 3.0949 3.1078 PRESSURE: 369200 411.741 208.103 -37.2255 208.103 -33.7776 23.7661 -37.2253 23.766 75.6022 GPRESSURE: 369200 379.482 209.224 -8.91378 161.219 36.1147 79.304 -9.24889 -88.1627 133.012 PRESSAVG: 369200 16.8568 -53.9025 -11.9186 -53.9025 16.4119 10.5512 -11.9185 10.5511 -51.8587 GPRESSAVG: 369200 18.0376 -55.2212 -11.1525 -51.5139 15.6226 11.7073 -13.1212 8.30579 -51.6607 TIMING: 369200 CPU: 1073, 0.00291366/step Wall: 1073, 0.00291366/step, 3.74794 hours remaining, 202.246094 MB of memory in use. ENERGY: 369200 713.8020 2060.8089 1973.8935 118.3428 -206530.8966 17951.6991 0.0000 0.0000 34249.7407 -149462.6096 299.1115 -183712.3503 -149362.2479 298.8236 151.1887 182.8696 557215.4021 -6.1967 -6.0001 PRESSURE: 369400 113.297 -22.5186 -28.0145 -22.5184 -72.2072 -189.557 -28.0157 -189.557 -146.918 GPRESSURE: 369400 121.536 -42.3613 -47.4086 103.855 -26.1476 -189.108 46.593 -174.396 -100.945 PRESSAVG: 369400 -22.7375 55.635 -17.4329 55.635 22.5935 39.825 -17.4328 39.825 18.5134 GPRESSAVG: 369400 -21.8383 56.6993 -16.2116 51.6327 22.155 38.6366 -17.3554 41.2212 17.9674 TIMING: 369400 CPU: 1073.59, 0.00291629/step Wall: 1073.59, 0.00291629/step, 3.75116 hours remaining, 202.246094 MB of memory in use. ENERGY: 369400 734.6010 2090.6949 1964.6697 101.5753 -206361.7052 17721.3234 0.0000 0.0000 34347.5279 -149401.3129 299.9655 -183748.8408 -149302.5773 298.9054 -35.2760 -1.8521 557994.9792 6.1231 6.0947 PRESSURE: 369600 62.9619 33.2267 -61.8475 33.2276 208.595 -42.0939 -61.8465 -42.095 -23.1351 GPRESSURE: 369600 50.1622 6.00956 -23.6702 37.8474 242.304 -7.2872 -76.464 -119.025 59.1985 PRESSAVG: 369600 -9.44377 34.4299 36.4917 34.4298 -31.5479 56.599 36.4916 56.5989 42.8194 GPRESSAVG: 369600 -10.9724 33.2271 35.6949 36.5098 -30.4437 58.2099 36.526 58.2078 42.9657 TIMING: 369600 CPU: 1074.17, 0.0029289/step Wall: 1074.17, 0.0029289/step, 3.76722 hours remaining, 202.246094 MB of memory in use. ENERGY: 369600 760.4083 2091.6188 1995.4980 111.7703 -206706.5338 18203.6142 0.0000 0.0000 34027.4035 -149516.2208 297.1698 -183543.6243 -149422.6022 297.9536 82.8074 117.2217 558242.1218 0.6092 0.5165 PRESSURE: 369800 27.3044 30.3541 -93.0789 30.3542 156.644 215.453 -93.0783 215.452 74.0171 GPRESSURE: 369800 95.5655 84.514 -110.376 -17.3038 143.895 126.781 -116.407 280.137 117.269 PRESSAVG: 369800 -10.0685 16.7374 -7.77835 16.7374 28.0124 24.599 -7.77839 24.5989 4.39873 GPRESSAVG: 369800 -8.86157 17.981 -8.93147 16.2159 27.2037 22.4283 -6.71504 23.9115 3.17651 TIMING: 369800 CPU: 1074.75, 0.00288744/step Wall: 1074.75, 0.00288744/step, 3.71373 hours remaining, 202.246094 MB of memory in use. ENERGY: 369800 740.3256 2105.2964 1982.7934 110.9024 -206382.5933 17819.8696 0.0000 0.0000 34386.7798 -149236.6260 300.3083 -183623.4058 -149140.1977 299.2214 85.9886 118.9098 557738.9753 7.4475 7.1729 PRESSURE: 370000 -288.017 -61.3083 3.27542 -61.3071 148.974 -76.6502 3.27565 -76.6489 -296.949 GPRESSURE: 370000 -228.88 53.1925 9.23125 -22.932 177.087 -30.601 24.0294 -139.257 -281.912 PRESSAVG: 370000 -16.0206 -8.27947 -28.7835 -8.27929 1.56433 64.3695 -28.7835 64.3695 1.54182 GPRESSAVG: 370000 -16.669 -7.21285 -28.1273 -7.55345 2.68793 63.8864 -29.7518 64.6597 1.5169 TIMING: 370000 CPU: 1075.33, 0.00291058/step Wall: 1075.33, 0.00291058/step, 3.74333 hours remaining, 202.246094 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: 370000 742.3619 2103.9569 1972.7211 124.7504 -206326.1910 17812.4917 0.0000 0.0000 34256.0182 -149313.8910 299.1663 -183569.9092 -149218.3486 299.1346 -145.3304 -111.2350 557910.2433 -4.3048 -4.1547 PRESSURE: 370200 47.5736 -65.3235 4.5767 -65.3246 -120.179 -66.1578 4.57648 -66.1576 -61.3381 GPRESSURE: 370200 91.6043 -9.43962 -56.0189 -112.677 -106.7 -120.589 22.4958 -20.2216 -26.8185 PRESSAVG: 370200 -11.8636 1.87626 -40.7323 1.87626 48.1265 -5.2833 -40.7323 -5.28329 -12.3832 GPRESSAVG: 370200 -11.6052 0.486863 -40.9069 2.66539 47.3012 -4.12475 -39.8764 -6.07857 -11.762 TIMING: 370200 CPU: 1075.91, 0.00290383/step Wall: 1075.91, 0.00290383/step, 3.73449 hours remaining, 202.304688 MB of memory in use. ENERGY: 370200 730.9820 2069.7503 1962.2711 114.1733 -206155.5734 17754.0051 0.0000 0.0000 34352.4876 -149171.9040 300.0088 -183524.3916 -149071.8920 298.8887 -44.6478 -13.9714 558359.3861 7.9599 7.9780 PRESSURE: 370400 116.882 -18.9865 -126.445 -18.9864 -9.96189 -175.866 -126.445 -175.865 -182.381 GPRESSURE: 370400 128.879 61.356 -86.126 -60.5393 3.56271 -180.798 -96.3587 -69.0906 -120.249 PRESSAVG: 370400 25.0822 -78.8043 -14.6685 -78.8043 9.71774 -9.46909 -14.6686 -9.46903 -36.6964 GPRESSAVG: 370400 23.9231 -78.4895 -12.9531 -79.5389 10.3933 -9.62 -17.0862 -9.29947 -36.0574 TIMING: 370400 CPU: 1076.49, 0.00291116/step Wall: 1076.49, 0.00291116/step, 3.74375 hours remaining, 202.304688 MB of memory in use. ENERGY: 370400 747.8444 2064.2848 1963.7763 106.6979 -206058.2187 17802.7660 0.0000 0.0000 34198.0841 -149174.7652 298.6604 -183372.8493 -149080.3377 299.0148 -25.1536 4.0645 557518.1706 -0.6321 -0.5803 PRESSURE: 370600 -25.953 164.896 100.821 164.896 -86.897 -3.48384 100.822 -3.48317 -276.773 GPRESSURE: 370600 35.5866 180.304 71.6559 117.964 -48.8933 68.0075 88.0053 -73.2191 -283.48 PRESSAVG: 370600 15.9776 -63.1927 -49.6915 -63.1926 23.5842 3.01391 -49.6914 3.01393 -8.70596 GPRESSAVG: 370600 17.2143 -62.5869 -49.5924 -65.0872 22.8527 3.02726 -48.9296 1.48085 -9.00528 TIMING: 370600 CPU: 1077.07, 0.00289592/step Wall: 1077.07, 0.00289592/step, 3.724 hours remaining, 202.304688 MB of memory in use. ENERGY: 370600 732.9305 2135.5188 1947.5738 112.5559 -205713.2297 17596.1275 0.0000 0.0000 34229.7028 -148958.8204 298.9365 -183188.5232 -148864.0175 299.1247 -129.8745 -98.9290 558454.1463 10.2853 10.3539 PRESSURE: 370800 -17.4137 -195.452 18.3506 -195.452 -135.386 63.8755 18.3502 63.8743 -62.4587 GPRESSURE: 370800 27.1018 -92.0395 56.0857 -283.401 -100.177 64.6948 -7.36843 78.3912 -43.3271 PRESSAVG: 370800 42.8135 -52.6277 -14.6337 -52.6277 -75.4839 4.13845 -14.6337 4.13849 -5.33224 GPRESSAVG: 370800 41.849 -51.3804 -15.118 -51.8058 -74.9586 3.83656 -12.9021 6.66214 -5.38168 TIMING: 370800 CPU: 1077.66, 0.00290497/step Wall: 1077.66, 0.00290497/step, 3.73546 hours remaining, 202.304688 MB of memory in use. ENERGY: 370800 751.3337 2053.9291 1986.7922 110.0033 -205953.5453 17863.3176 0.0000 0.0000 34153.8719 -149034.2974 298.2743 -183188.1693 -148939.2358 299.4457 -71.7527 -38.8008 559561.2080 -12.6676 -12.8304 PRESSURE: 371000 126.52 102.161 10.7179 102.16 96.9418 -52.8523 10.7181 -52.8512 108.406 GPRESSURE: 371000 103.068 127.776 2.60596 78.8414 143.002 29.9226 20.338 -69.1994 187.348 PRESSAVG: 371000 -65.5227 24.5206 -38.9027 24.5206 23.8397 1.02744 -38.9027 1.02744 14.9242 GPRESSAVG: 371000 -64.3124 23.732 -40.5631 25.4018 23.0255 -0.0724587 -38.866 -1.04717 14.7135 TIMING: 371000 CPU: 1078.24, 0.00292826/step Wall: 1078.24, 0.00292826/step, 3.76525 hours remaining, 202.304688 MB of memory in use. ENERGY: 371000 745.4145 2024.5953 1992.2563 113.4196 -206525.5090 18177.7447 0.0000 0.0000 34255.3018 -149216.7768 299.1601 -183472.0787 -149115.2334 299.1283 110.6224 144.4728 557319.0642 -8.9196 -8.8578 PRESSURE: 371200 -32.2926 -155.199 -12.1486 -155.197 178.832 103.536 -12.1477 103.534 -29.8826 GPRESSURE: 371200 -61.1142 -79.5978 48.5554 -23.0118 187.293 24.5858 -33.6587 112.128 72.4986 PRESSAVG: 371200 64.1289 18.6005 -8.42202 18.6005 25.1221 38.8299 -8.42188 38.8298 -60.2736 GPRESSAVG: 371200 63.4513 19.087 -7.36918 17.9975 26.3965 37.1571 -8.67225 41.4441 -60.6662 TIMING: 371200 CPU: 1078.82, 0.00291971/step Wall: 1078.82, 0.00291971/step, 3.75409 hours remaining, 202.304688 MB of memory in use. ENERGY: 371200 768.7743 2044.0092 1966.5630 113.1179 -206150.1029 17924.5170 0.0000 0.0000 34275.9461 -149057.1753 299.3404 -183333.1215 -148970.5445 299.2211 38.8856 66.2259 557469.0676 9.6591 9.7272 PRESSURE: 371400 21.14 -100.877 -116.638 -100.878 20.6464 271.575 -116.638 271.576 -401.11 GPRESSURE: 371400 66.0121 -158.028 -95.1717 -38.2382 9.42212 267.086 -148.966 179.146 -342.106 PRESSAVG: 371400 56.4471 -36.5493 -43.2384 -36.5494 -22.6366 81.55 -43.2384 81.55 -10.2777 GPRESSAVG: 371400 56.767 -38.0786 -41.0176 -35.0994 -23.2658 81.5428 -44.0223 81.3982 -10.1303 TIMING: 371400 CPU: 1079.41, 0.00293197/step Wall: 1079.41, 0.00293197/step, 3.7697 hours remaining, 202.304688 MB of memory in use. ENERGY: 371400 725.1415 2052.6855 1998.1817 108.7304 -206173.9094 17763.3792 0.0000 0.0000 34115.9875 -149409.8035 297.9434 -183525.7911 -149318.3266 298.4755 -119.7746 -88.8905 559371.6758 7.8442 7.7903 PRESSURE: 371600 -182.136 26.3826 -196.849 26.3821 -35.9343 -104.489 -196.848 -104.488 -76.1107 GPRESSURE: 371600 -155.879 16.4893 -272.773 93.553 -0.677692 -104.419 -100.343 -150.4 -30.4503 PRESSAVG: 371600 71.7689 -27.8531 -30.8521 -27.8531 4.10619 0.71043 -30.8521 0.710444 -54.1054 GPRESSAVG: 371600 71.6723 -27.4904 -31.9277 -28.8835 4.2317 0.612036 -30.0062 0.695781 -54.0359 TIMING: 371600 CPU: 1079.99, 0.00291265/step Wall: 1079.99, 0.00291265/step, 3.74469 hours remaining, 202.304688 MB of memory in use. ENERGY: 371600 717.3249 2053.5957 2004.2946 137.4983 -206127.4630 17660.1713 0.0000 0.0000 34253.4656 -149301.1125 299.1440 -183554.5781 -149209.6187 299.1247 -98.0602 -62.3356 558710.3137 7.2566 7.2894 PRESSURE: 371800 -112.134 -54.7765 -42.4068 -54.7767 188.486 132.037 -42.4074 132.036 -174.191 GPRESSURE: 371800 -56.3938 -119.842 -51.981 -57.1154 179.515 113.866 4.04009 94.2887 -113.163 PRESSAVG: 371800 -14.1714 53.9144 -2.91353 53.9144 -15.7646 23.14 -2.91352 23.14 15.3411 GPRESSAVG: 371800 -13.255 52.3387 -2.94921 50.6291 -15.258 25.2076 -2.70197 22.7167 14.3536 TIMING: 371800 CPU: 1080.57, 0.00289852/step Wall: 1080.57, 0.00289852/step, 3.72637 hours remaining, 202.371094 MB of memory in use. ENERGY: 371800 758.9900 2111.6471 1989.3455 118.9201 -206694.0203 18089.7296 0.0000 0.0000 34420.9129 -149204.4750 300.6064 -183625.3880 -149111.8781 299.0502 -32.6127 3.3194 558244.1189 -4.8650 -4.7198 PRESSURE: 372000 62.115 -36.8054 -68.2318 -36.8053 -105.631 -54.7366 -68.2316 -54.7374 -136.396 GPRESSURE: 372000 14.074 -119.827 -73.6654 -55.8075 -18.9865 -79.7428 -68.2137 -20.3572 -74.2951 PRESSAVG: 372000 -7.04638 -5.80065 -7.22706 -5.80068 34.9009 10.7446 -7.22707 10.7448 -76.1248 GPRESSAVG: 372000 -8.87356 -5.76938 -8.59539 -2.3967 36.1268 10.9534 -6.92724 12.1547 -76.0633 TIMING: 372000 CPU: 1081.16, 0.0029235/step Wall: 1081.16, 0.0029235/step, 3.75832 hours remaining, 202.371094 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: 372000 742.6224 2108.9129 1986.4036 131.2039 -206138.5386 17704.0050 0.0000 0.0000 34258.7698 -149206.6209 299.1904 -183465.3907 -149114.3139 299.4221 -59.9707 -26.4025 558656.2287 -16.0901 -16.2700 PRESSURE: 372200 114.534 -96.0383 -90.9325 -96.0385 -166.388 -186.558 -90.9333 -186.558 -219.913 GPRESSURE: 372200 153.493 -78.2277 -45.2574 -18.9888 -79.2383 -181.504 -147.413 -156.919 -251.886 PRESSAVG: 372200 15.9997 -26.2457 -58.7912 -26.2457 56.5027 8.76732 -58.7914 8.76731 -27.146 GPRESSAVG: 372200 17.8455 -24.4268 -58.4992 -26.7565 55.4432 9.05556 -57.8627 7.06098 -28.0252 TIMING: 372200 CPU: 1081.74, 0.00290116/step Wall: 1081.74, 0.00290116/step, 3.72944 hours remaining, 202.371094 MB of memory in use. ENERGY: 372200 755.1247 2108.6310 1978.4930 115.5469 -206538.3863 17878.1297 0.0000 0.0000 34357.6528 -149344.8082 300.0539 -183702.4610 -149250.4016 299.2178 -90.5891 -59.2106 557998.5279 15.1188 15.0878 LDB: ============= START OF LOAD BALANCING ============== 1085.2 LDB: ============== END OF LOAD BALANCING =============== 1085.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1085.21 LDB: ============= START OF LOAD BALANCING ============== 1085.49 LDB: Largest compute 4820 load 0.026673 is 22.7% of average load 0.117536 LDB: Average compute 0.001740 is 1.5% of average load 0.117536 LDB: TIME 1085.5 LOAD: AVG 0.117536 MAX 0.176074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.82 MB LDB: TIME 1085.5 LOAD: AVG 0.117536 MAX 0.176074 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.82 MB LDB: TIME 1085.5 LOAD: AVG 0.117536 MAX 0.176074 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1085.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1085.5 PRESSURE: 372400 -57.1523 50.9307 -10.1491 50.9304 287.426 158.48 -10.1492 158.482 146.241 GPRESSURE: 372400 1.46461 28.2304 -41.0642 31.4524 304.435 120.264 -62.1835 124.094 176.949 PRESSAVG: 372400 -41.8197 28.89 28.0143 28.8898 9.69766 36.7389 28.0143 36.7389 6.60289 GPRESSAVG: 372400 -42.9255 27.4924 28.9825 29.0939 10.7071 36.3792 26.0734 37.6826 6.27456 TIMING: 372400 CPU: 1082.33, 0.00294855/step Wall: 1082.33, 0.00294855/step, 3.7902 hours remaining, 204.722656 MB of memory in use. ENERGY: 372400 718.6702 2071.3355 1989.2336 120.4622 -206426.3927 18117.5085 0.0000 0.0000 34222.8545 -149186.3281 298.8767 -183409.1825 -149092.1106 299.1492 125.5050 160.9495 558727.2099 -8.5064 -8.6479 PRESSURE: 372600 -134.963 -29.4669 18.8551 -29.4681 7.47621 -41.4048 18.8556 -41.4042 48.9011 GPRESSURE: 372600 -115.011 -30.3121 -26.097 79.9944 65.8405 -123.656 -0.775286 16.7369 71.4548 PRESSAVG: 372600 -44.3631 -12.7207 10.9396 -12.7208 13.6029 5.41906 10.9397 5.41905 51.2675 GPRESSAVG: 372600 -43.8508 -13.9558 10.2774 -11.23 12.3103 3.45277 11.3702 5.29604 51.8122 TIMING: 372600 CPU: 1082.91, 0.00288866/step Wall: 1082.91, 0.00288866/step, 3.71306 hours remaining, 204.730469 MB of memory in use. ENERGY: 372600 708.5784 2075.1220 1939.0991 109.6640 -206259.0568 17888.7163 0.0000 0.0000 34311.7675 -149226.1095 299.6532 -183537.8769 -149126.7706 299.1202 -26.1951 7.4283 558560.4478 6.8358 6.7572 PRESSURE: 372800 98.8086 71.0482 7.98268 71.0479 -69.0289 -149.467 7.98362 -149.467 -79.5055 GPRESSURE: 372800 54.6368 158.257 3.71397 22.6256 -21.1982 -46.0629 -88.1786 -202.741 10.9339 PRESSAVG: 372800 29.7963 64.2812 28.2543 64.2813 -19.7495 -16.0603 28.2543 -16.0602 33.8555 GPRESSAVG: 372800 29.7667 66.8683 28.6639 61.6706 -19.6315 -16.711 29.0288 -14.9932 33.8177 TIMING: 372800 CPU: 1083.48, 0.00289101/step Wall: 1083.48, 0.00289101/step, 3.71591 hours remaining, 205.031250 MB of memory in use. ENERGY: 372800 732.2791 2074.3473 1973.9307 109.2043 -206500.8154 17957.8462 0.0000 0.0000 34445.5259 -149207.6820 300.8213 -183653.2079 -149116.3286 299.5436 -16.5753 14.7908 559497.3169 14.6341 14.6510 PRESSURE: 373000 -295.572 -10.2558 -103.794 -10.2573 -439.712 58.0481 -103.797 58.0482 -55.6858 GPRESSURE: 373000 -270.475 -30.4851 -110.189 41.5318 -350.576 61.8283 -153.348 58.5019 -87.8645 PRESSAVG: 373000 -11.6205 -17.9067 13.1548 -17.9066 -31.8477 22.6719 13.1548 22.6718 24.9662 GPRESSAVG: 373000 -12.7918 -19.4226 11.7744 -17.2266 -31.3321 25.6113 13.6299 21.733 25.0326 TIMING: 373000 CPU: 1084.06, 0.00288678/step Wall: 1084.06, 0.00288678/step, 3.71032 hours remaining, 205.031250 MB of memory in use. ENERGY: 373000 755.2559 2075.5935 1967.3405 106.3309 -206057.8885 17588.3449 0.0000 0.0000 34415.4672 -149149.5557 300.5588 -183565.0229 -149051.9120 299.2849 -263.6565 -236.3053 559062.1185 -6.1673 -6.3638 PRESSURE: 373200 -69.9509 8.50031 -24.7182 8.50112 -225.287 91.1612 -24.7182 91.1633 -101.037 GPRESSURE: 373200 -63.8311 -25.9453 -61.4218 56.3927 -202.964 77.7624 -50.0169 58.0182 -35.6962 PRESSAVG: 373200 15.6335 8.8687 2.53066 8.86877 -24.1713 -5.20369 2.53064 -5.20363 -63.7449 GPRESSAVG: 373200 16.4012 9.64471 2.77641 8.93262 -24.8873 -2.38071 3.42553 -7.93448 -63.1726 TIMING: 373200 CPU: 1084.64, 0.00288859/step Wall: 1084.64, 0.00288859/step, 3.71248 hours remaining, 205.031250 MB of memory in use. ENERGY: 373200 766.2784 2110.6916 1964.5891 121.7007 -206335.2826 17784.4326 0.0000 0.0000 34370.6753 -149216.9151 300.1677 -183587.5903 -149117.3425 299.3393 -132.0919 -100.8306 557640.0631 -24.0942 -23.8862 PRESSURE: 373400 38.9443 271.724 -139.368 271.725 294.854 -29.3213 -139.367 -29.3216 51.285 GPRESSURE: 373400 43.8532 188.371 -189.146 227.061 308.52 78.2794 -50.9023 -122.614 133.845 PRESSAVG: 373400 -19.7316 -54.4196 -11.9681 -54.4197 22.333 43.1171 -11.9681 43.117 16.7839 GPRESSAVG: 373400 -18.9006 -56.7181 -9.60584 -53.0646 21.3864 39.5123 -13.4447 45.6974 17.3345 TIMING: 373400 CPU: 1085.21, 0.00287852/step Wall: 1085.21, 0.00287852/step, 3.69938 hours remaining, 205.031250 MB of memory in use. ENERGY: 373400 807.0634 2100.6637 1975.6804 108.5151 -206696.5429 18129.3333 0.0000 0.0000 34246.7167 -149328.5704 299.0851 -183575.2871 -149233.4080 298.8505 128.3612 162.0728 555375.5944 6.4618 6.6068 PRESSURE: 373600 -282.625 -62.8016 -53.1374 -62.8023 76.6404 13.8943 -53.1375 13.8934 257.72 GPRESSURE: 373600 -264.33 -70.1862 -37.8464 -70.2495 141.377 55.0079 -47.481 -44.8482 265.391 PRESSAVG: 373600 -47.7121 -17.0418 -17.5711 -17.042 54.6271 -0.99757 -17.5711 -0.997597 37.303 GPRESSAVG: 373600 -47.6152 -15.6591 -17.9082 -18.9784 55.2913 0.30175 -18.5969 -2.38968 35.8846 TIMING: 373600 CPU: 1085.79, 0.0028746/step Wall: 1085.79, 0.0028746/step, 3.69418 hours remaining, 205.031250 MB of memory in use. ENERGY: 373600 771.7905 2109.2449 1975.0208 111.3755 -206315.4018 17796.9990 0.0000 0.0000 34232.0254 -149318.9458 298.9568 -183550.9712 -149221.6489 299.2630 17.2450 47.4793 554949.2721 14.7393 14.5202 PRESSURE: 373800 102.864 -15.3717 -191.155 -15.3719 -115.971 -133.175 -191.155 -133.175 108.154 GPRESSURE: 373800 99.9514 -44.8131 -207.942 73.8932 -47.275 -71.9912 -280.544 -160.887 133.676 PRESSAVG: 373800 -18.6074 21.5447 -36.9793 21.5446 -3.41094 -17.93 -36.9792 -17.9301 -20.7487 GPRESSAVG: 373800 -18.5828 20.0953 -37.1444 24.0415 -5.09924 -17.9205 -34.6062 -15.247 -19.7109 TIMING: 373800 CPU: 1086.37, 0.00289715/step Wall: 1086.37, 0.00289715/step, 3.723 hours remaining, 205.031250 MB of memory in use. ENERGY: 373800 760.9732 2093.3757 1979.1421 118.9599 -206296.2233 17927.1136 0.0000 0.0000 34247.9210 -149168.7377 299.0956 -183416.6587 -149079.4594 299.6143 31.6824 62.1174 555550.3410 -14.2557 -14.4643 PRESSURE: 374000 -346.263 81.4253 37.8096 81.4252 44.7483 87.994 37.81 87.9931 -46.2895 GPRESSURE: 374000 -334.902 83.2239 23.3441 60.7954 118.608 47.0508 25.9521 176.993 -36.9287 PRESSAVG: 374000 -2.49425 23.0422 -42.2712 23.0422 35.3989 41.0454 -42.2713 41.0452 -21.0457 GPRESSAVG: 374000 -3.15813 22.6154 -43.481 20.6943 35.9738 37.9962 -43.8904 41.8537 -20.2881 TIMING: 374000 CPU: 1086.95, 0.00288826/step Wall: 1086.95, 0.00288826/step, 3.71142 hours remaining, 205.031250 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: 374000 749.5078 2106.9739 1980.2274 100.4656 -205746.0887 17434.2919 0.0000 0.0000 34335.9798 -149038.6422 299.8647 -183374.6220 -148937.4291 299.9178 -115.9349 -84.4075 556915.6240 3.9530 4.1759 PRESSURE: 374200 16.1475 252.766 -12.0349 252.765 -209.125 59.346 -12.0332 59.3456 -87.7277 GPRESSURE: 374200 34.4851 247.058 -25.3882 264.335 -212.75 55.6301 -14.6798 61.4515 -3.71115 PRESSAVG: 374200 38.5792 41.3918 -1.16962 41.3917 17.1137 18.4602 -1.16958 18.4602 -14.6946 GPRESSAVG: 374200 39.1957 41.8554 -1.20566 42.8665 17.1614 21.7631 -0.0614149 14.2982 -15.3799 TIMING: 374200 CPU: 1087.52, 0.00287887/step Wall: 1087.52, 0.00287887/step, 3.69919 hours remaining, 205.031250 MB of memory in use. ENERGY: 374200 750.2385 2167.3855 1978.1209 116.2632 -205726.9628 17666.8970 0.0000 0.0000 34074.5350 -148973.5228 297.5814 -183048.0577 -148880.8415 299.7989 -93.5684 -60.6586 558063.2216 13.6661 13.6591 PRESSURE: 374400 -25.8248 5.78508 41.1786 5.78547 -151.277 -61.6786 41.1785 -61.6795 1.64769 GPRESSURE: 374400 44.6744 51.1194 163.152 -22.9896 -148.15 17.8284 37.5612 -54.021 9.83727 PRESSAVG: 374400 -12.5669 52.1682 14.155 52.1682 -13.1103 8.97168 14.155 8.97166 -7.84366 GPRESSAVG: 374400 -12.0744 53.2755 15.2519 51.0748 -14.2183 7.93424 12.1497 12.6856 -7.21917 TIMING: 374400 CPU: 1088.1, 0.00289534/step Wall: 1088.1, 0.00289534/step, 3.72019 hours remaining, 205.031250 MB of memory in use. ENERGY: 374400 758.1223 2123.0651 1962.8257 96.3375 -205917.0916 17741.4837 0.0000 0.0000 34316.1652 -148919.0921 299.6916 -183235.2573 -148827.5310 300.1271 -58.4847 -31.2128 557726.3170 -11.1736 -11.1706 PRESSURE: 374600 -58.1484 -54.1269 -53.3334 -54.127 96.3594 247.27 -53.3353 247.27 30.7792 GPRESSURE: 374600 -59.344 -76.3403 -39.7002 2.63535 138.228 150.252 -7.14271 256.478 75.5093 PRESSAVG: 374600 18.4538 -23.1324 1.27057 -23.1323 -16.942 30.3275 1.27047 30.3275 38.4416 GPRESSAVG: 374600 17.9578 -23.6882 0.454365 -22.2161 -16.35 30.0803 3.54116 29.1783 37.8488 TIMING: 374600 CPU: 1088.68, 0.00287218/step Wall: 1088.68, 0.00287218/step, 3.69027 hours remaining, 205.031250 MB of memory in use. ENERGY: 374600 725.8884 2053.5387 1985.2031 115.5725 -205910.6945 17740.4519 0.0000 0.0000 34371.6764 -148918.3636 300.1764 -183290.0400 -148819.3159 299.3574 22.9967 51.4645 557170.5232 13.3178 13.1522 PRESSURE: 374800 -281.157 -33.1642 -62.2339 -33.1636 -205.174 -26.991 -62.2366 -26.9911 -39.5843 GPRESSURE: 374800 -230.93 -33.0422 -79.0109 -1.0138 -213.574 -80.3412 -36.8418 -27.1646 11.9174 PRESSAVG: 374800 -23.3354 -12.0731 9.87217 -12.0731 8.48516 51.0653 9.87214 51.0653 20.4883 GPRESSAVG: 374800 -22.3148 -12.0641 10.4005 -11.9342 7.57327 49.9155 10.0743 50.3441 19.8092 TIMING: 374800 CPU: 1089.25, 0.00288308/step Wall: 1089.25, 0.00288308/step, 3.70412 hours remaining, 205.031250 MB of memory in use. ENERGY: 374800 734.2565 2146.5356 1980.4016 111.0876 -205799.5801 17567.3703 0.0000 0.0000 34230.5675 -149029.3610 298.9441 -183259.9285 -148945.3759 299.5967 -175.3051 -144.1958 558079.6858 1.8794 1.6892 PRESSURE: 375000 -194.632 -74.0203 141.886 -74.0206 -48.5749 115.684 141.886 115.683 93.9558 GPRESSURE: 375000 -129.987 -25.525 145.872 -176.396 -74.3314 171.058 100.962 -6.67452 147.824 PRESSAVG: 375000 -44.1473 -21.3615 17.1089 -21.3614 -0.348499 20.2328 17.1089 20.2327 6.91396 GPRESSAVG: 375000 -45.6762 -20.3781 17.3431 -22.2982 -0.189625 23.0427 15.4824 18.5921 7.55337 TIMING: 375000 CPU: 1089.83, 0.00289044/step Wall: 1089.83, 0.00289044/step, 3.71341 hours remaining, 205.031250 MB of memory in use. ENERGY: 375000 751.4045 2049.4749 1995.4241 117.1847 -205797.1475 17605.5356 0.0000 0.0000 34325.5249 -148952.5986 299.7733 -183278.1235 -148856.2266 300.0787 -49.7503 -18.8314 557212.0152 -12.5273 -12.7708 PRESSURE: 375200 155.301 108.72 -53.8864 108.72 289.797 -95.6625 -53.8855 -95.6607 280.14 GPRESSURE: 375200 241.835 134.142 -115.385 127.582 319.49 -67.9662 -83.867 -135.233 264.567 PRESSAVG: 375200 103.632 -51.4742 18.1605 -51.4742 -97.9753 -38.633 18.1605 -38.6331 34.285 GPRESSAVG: 375200 104.514 -51.9624 17.9651 -51.2662 -97.885 -41.3575 18.6386 -37.3978 33.087 TIMING: 375200 CPU: 1090.41, 0.00289887/step Wall: 1090.41, 0.00289887/step, 3.72408 hours remaining, 205.031250 MB of memory in use. ENERGY: 375200 705.2042 2098.0878 1991.7642 112.3981 -206309.5221 18076.4736 0.0000 0.0000 34317.4016 -149008.1926 299.7024 -183325.5942 -148909.0061 299.9209 241.7459 275.2977 556147.2244 13.3140 13.2387 PRESSURE: 375400 275.828 23.675 215.481 23.6763 9.95981 43.4847 215.481 43.484 -73.6139 GPRESSURE: 375400 283.666 10.6525 109.996 130.723 51.3439 46.3564 183.635 114.07 -30.6085 PRESSAVG: 375400 -24.8226 38.224 -1.41721 38.224 28.9833 14.9001 -1.41718 14.9003 26.7051 GPRESSAVG: 375400 -25.2784 36.1004 -3.51113 39.5386 29.3732 16.5704 -0.899762 14.0245 26.8656 TIMING: 375400 CPU: 1090.99, 0.00291103/step Wall: 1090.99, 0.00291103/step, 3.73955 hours remaining, 205.031250 MB of memory in use. ENERGY: 375400 703.8228 2062.3553 1981.3876 112.5297 -206145.9238 17881.7366 0.0000 0.0000 34424.5162 -148979.5756 300.6379 -183404.0917 -148884.9144 299.8455 70.7245 101.4671 556675.2074 10.2886 10.3201 PRESSURE: 375600 -135.628 77.8073 -45.3401 77.8081 148.636 -47.2469 -45.3387 -47.2447 -172.396 GPRESSURE: 375600 -104.46 66.8111 -32.1012 35.8453 143.992 -72.0328 -68.1751 -6.31622 -94.4165 PRESSAVG: 375600 -4.27199 61.0378 -62.7271 61.0378 29.5954 86.0667 -62.7272 86.0667 -49.5895 GPRESSAVG: 375600 -4.14244 60.3462 -63.4242 60.5703 29.1658 86.259 -60.3964 86.7933 -50.2762 TIMING: 375600 CPU: 1091.58, 0.00292478/step Wall: 1091.58, 0.00292478/step, 3.75704 hours remaining, 205.031250 MB of memory in use. ENERGY: 375600 750.6489 2104.5339 1963.6985 112.9518 -205694.7025 17676.6684 0.0000 0.0000 34251.4538 -148834.7472 299.1265 -183086.2010 -148736.5415 300.6870 -53.1293 -18.2950 558056.2266 -8.0887 -8.4176 PRESSURE: 375800 -203.756 -93.2931 -69.6339 -93.292 -13.4058 161.475 -69.6349 161.476 -333.301 GPRESSURE: 375800 -160.718 -111.316 -138.722 -166.148 9.51106 143.266 -49.977 190.224 -310.45 PRESSAVG: 375800 112.539 -22.1113 -34.9176 -22.1114 -15.2655 86.0588 -34.9177 86.0589 -91.2835 GPRESSAVG: 375800 110.685 -19.0394 -32.3126 -24.6119 -13.569 84.0285 -35.6025 87.3936 -91.2038 TIMING: 375800 CPU: 1092.16, 0.00291547/step Wall: 1092.16, 0.00291547/step, 3.74493 hours remaining, 205.031250 MB of memory in use. ENERGY: 375800 775.5165 2137.8748 1977.1194 107.2392 -205770.2766 17413.7016 0.0000 0.0000 34337.5402 -149021.2849 299.8783 -183358.8251 -148925.9143 299.9823 -183.4876 -153.8856 557262.7182 1.9966 1.9707 PRESSURE: 376000 202.919 78.9688 -76.949 78.9689 -52.5518 8.83794 -76.9489 8.83759 -229.091 GPRESSURE: 376000 179.667 123.964 -23.7453 27.6829 -17.8056 -31.7365 -66.8722 45.8213 -155.608 PRESSAVG: 376000 -4.71371 -8.05139 -36.818 -8.0514 17.4868 3.55492 -36.818 3.55485 -40.7279 GPRESSAVG: 376000 -4.38333 -8.40019 -37.2968 -7.34688 17.5616 4.9105 -36.6142 1.94766 -40.6416 TIMING: 376000 CPU: 1092.74, 0.00291333/step Wall: 1092.74, 0.00291333/step, 3.74201 hours remaining, 205.031250 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: 376000 748.7101 2058.9162 1968.9441 107.3925 -206433.3210 18003.7470 0.0000 0.0000 34443.8900 -149101.7211 300.8071 -183545.6111 -149002.8701 299.7830 -26.2412 2.0843 558383.2924 -9.3183 -9.1545 PRESSURE: 376200 81.8403 -65.2979 -32.9981 -65.2985 40.4066 -27.8907 -32.9978 -27.8904 122.358 GPRESSURE: 376200 68.745 -127.19 -78.9823 4.92687 77.743 -56.4553 20.7458 -23.3396 183.701 PRESSAVG: 376200 -12.4132 -11.8986 -27.3465 -11.8986 54.3796 -64.9544 -27.3465 -64.9544 -30.456 GPRESSAVG: 376200 -11.8018 -11.8634 -27.2807 -11.9822 54.0113 -66.896 -28.4181 -64.757 -30.479 TIMING: 376200 CPU: 1093.33, 0.0029134/step Wall: 1093.33, 0.0029134/step, 3.74193 hours remaining, 205.031250 MB of memory in use. ENERGY: 376200 755.1570 2102.7902 1992.9328 104.7012 -206441.4010 17961.8029 0.0000 0.0000 34257.6925 -149266.3244 299.1809 -183524.0169 -149175.4821 300.1070 81.5351 110.0631 555708.9747 3.8368 3.9102 LDB: ============= START OF LOAD BALANCING ============== 1096.79 LDB: ============== END OF LOAD BALANCING =============== 1096.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1096.79 LDB: ============= START OF LOAD BALANCING ============== 1097.09 LDB: Largest compute 4820 load 0.028360 is 24.1% of average load 0.117592 LDB: Average compute 0.001736 is 1.5% of average load 0.117592 LDB: TIME 1097.09 LOAD: AVG 0.117592 MAX 0.179701 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.012 MB LDB: TIME 1097.09 LOAD: AVG 0.117592 MAX 0.179701 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.211 MB LDB: TIME 1097.09 LOAD: AVG 0.117592 MAX 0.179701 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.211 MB LDB: ============== END OF LOAD BALANCING =============== 1097.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1097.1 PRESSURE: 376400 84.6861 54.9171 -34.6494 54.9165 65.4819 61.3693 -34.6484 61.3692 -14.1874 GPRESSURE: 376400 109.063 125.425 -48.2228 55.0857 50.8279 -53.4637 -4.45214 126.833 65.3037 PRESSAVG: 376400 -1.68454 -22.601 -34.8295 -22.601 -17.8917 15.6726 -34.8295 15.6726 62.6978 GPRESSAVG: 376400 -0.253519 -25.5722 -33.1067 -20.5123 -19.7669 15.7312 -36.214 16.5497 63.2361 TIMING: 376400 CPU: 1093.92, 0.00297124/step Wall: 1093.92, 0.00297124/step, 3.81606 hours remaining, 204.125000 MB of memory in use. ENERGY: 376400 778.6582 2049.8883 1964.9029 112.4939 -206275.0456 17899.6368 0.0000 0.0000 34205.2711 -149264.1944 298.7231 -183469.4655 -149174.8154 299.0519 45.3269 75.0650 556041.5060 14.3738 14.4052 PRESSURE: 376600 5.88985 19.91 143.89 19.9094 -144.801 -95.265 143.891 -95.2647 89.5138 GPRESSURE: 376600 95.2548 49.6351 99.2679 -11.7196 -144.656 9.18949 132.334 -158.479 90.9393 PRESSAVG: 376600 -36.4628 11.4343 38.5827 11.4343 2.70764 32.1231 38.5827 32.1232 39.8692 GPRESSAVG: 376600 -36.8439 14.9024 38.3855 9.18072 3.70403 32.9828 39.8501 33.5 39.1419 TIMING: 376600 CPU: 1094.5, 0.00289951/step Wall: 1094.5, 0.00289951/step, 3.72378 hours remaining, 204.527344 MB of memory in use. ENERGY: 376600 733.2559 2070.2318 1984.6328 114.4703 -206233.0579 17640.5873 0.0000 0.0000 34265.8311 -149424.0486 299.2520 -183689.8797 -149329.3219 298.4441 -16.4657 13.8459 556936.2725 2.0380 2.0007 PRESSURE: 376800 -28.0464 -27.5779 126.618 -27.5782 71.8389 85.8786 126.618 85.8796 -27.0013 GPRESSURE: 376800 31.4824 54.9804 132.108 3.27924 113.539 177.382 195.484 74.5884 -29.0336 PRESSAVG: 376800 18.4459 -21.2844 -1.57666 -21.2844 49.0674 -5.69657 -1.57659 -5.69653 -61.7196 GPRESSAVG: 376800 19.0885 -21.1536 -2.44077 -20.5449 49.5618 -6.38889 -1.98298 -6.02241 -62.1353 TIMING: 376800 CPU: 1095.08, 0.00290406/step Wall: 1095.08, 0.00290406/step, 3.72945 hours remaining, 204.527344 MB of memory in use. ENERGY: 376800 760.3311 2072.4963 1965.5508 112.5276 -206005.0918 17821.7395 0.0000 0.0000 34050.0131 -149222.4335 297.3672 -183272.4465 -149124.3060 298.0059 5.5971 38.6627 556597.7404 1.9312 2.1717 PRESSURE: 377000 -105.912 -27.8019 307.829 -27.8019 -220.251 -178.069 307.828 -178.071 -100.414 GPRESSURE: 377000 -93.5121 50.6964 271.309 -6.65147 -174.495 -144.235 360.533 -93.2591 -74.9268 PRESSAVG: 377000 11.6693 -64.2009 24.8715 -64.2008 7.86302 -42.7348 24.8714 -42.7348 0.552405 GPRESSAVG: 377000 11.695 -65.4035 25.6309 -63.3237 7.75912 -40.9907 24.7299 -43.7114 1.00556 TIMING: 377000 CPU: 1095.66, 0.00290587/step Wall: 1095.66, 0.00290587/step, 3.73162 hours remaining, 204.527344 MB of memory in use. ENERGY: 377000 751.1115 2022.5453 1960.1407 105.7971 -205807.0657 17550.7825 0.0000 0.0000 34097.6620 -149319.0265 297.7834 -183416.6886 -149226.5279 298.4719 -142.1925 -114.3114 557996.5946 6.6949 6.8199 PRESSURE: 377200 21.3381 17.5411 -52.0723 17.5419 174.565 -27.6325 -52.0723 -27.6319 -19.9397 GPRESSURE: 377200 84.979 -89.4825 -71.631 95.9038 177.765 -8.74777 15.9507 -73.1718 11.8112 PRESSAVG: 377200 -47.7785 -14.1037 22.2588 -14.1038 49.9463 -28.0595 22.2588 -28.0593 28.8637 GPRESSAVG: 377200 -49.2736 -14.649 20.8885 -13.7897 51.0234 -30.7175 22.393 -26.0905 28.8779 TIMING: 377200 CPU: 1096.24, 0.0028909/step Wall: 1096.24, 0.0028909/step, 3.71223 hours remaining, 204.527344 MB of memory in use. ENERGY: 377200 744.7707 2087.8011 1956.4037 110.7859 -206591.1149 17990.2797 0.0000 0.0000 34277.5407 -149423.5331 299.3543 -183701.0738 -149326.9166 298.6138 58.6546 91.5184 555343.4340 10.3439 10.2093 PRESSURE: 377400 55.5127 82.3629 90.848 82.3642 -394.913 -56.9164 90.8477 -56.9156 -408.096 GPRESSURE: 377400 116.675 12.9862 18.505 97.7708 -379.361 -93.186 160.749 18.553 -370.097 PRESSAVG: 377400 -37.458 12.1479 12.3926 12.1479 22.8779 -2.6139 12.3926 -2.61391 28.4094 GPRESSAVG: 377400 -35.2696 14.5707 12.2 12.037 20.8833 -2.18763 12.657 -3.17879 28.6686 TIMING: 377400 CPU: 1096.82, 0.00288038/step Wall: 1096.82, 0.00288038/step, 3.69857 hours remaining, 204.597656 MB of memory in use. ENERGY: 377400 783.3030 2092.4180 1963.7253 124.5769 -206162.9406 17767.4367 0.0000 0.0000 34132.9178 -149298.5630 298.0913 -183431.4808 -149203.2776 298.6878 -249.1653 -210.9280 558823.5462 4.6098 4.7608 PRESSURE: 377600 220.183 87.8775 -42.4692 87.8798 345.676 62.2491 -42.4695 62.2489 -113.131 GPRESSURE: 377600 240.095 -20.9793 -61.1908 134.491 397.75 92.9518 -20.0939 27.222 -89.4646 PRESSAVG: 377600 25.1842 24.6082 -53.2969 24.6082 -21.3387 36.0301 -53.2968 36.0302 5.06111 GPRESSAVG: 377600 23.5559 22.1415 -53.6498 25.345 -19.7986 37.1898 -49.9187 33.9213 5.54832 TIMING: 377600 CPU: 1097.39, 0.00289294/step Wall: 1097.39, 0.00289294/step, 3.71453 hours remaining, 204.796875 MB of memory in use. ENERGY: 377600 716.8620 2060.1064 1969.8556 106.4709 -206666.0866 18091.6170 0.0000 0.0000 34343.1508 -149378.0238 299.9273 -183721.1746 -149279.8976 299.0671 150.9092 182.7936 557257.1338 2.9689 3.1019 PRESSURE: 377800 -38.8139 -70.883 -129.383 -70.883 -206.901 -86.1952 -129.382 -86.1949 -260.213 GPRESSURE: 377800 -24.8483 -81.0021 -108.415 -63.539 -183.772 -85.0783 -118.638 -61.9723 -205.755 PRESSAVG: 377800 11.3095 33.1878 -38.7917 33.1878 68.6133 7.20857 -38.7917 7.20863 -35.8875 GPRESSAVG: 377800 12.2298 34.0035 -37.4378 31.5329 67.6185 6.41396 -40.5848 8.34944 -35.5474 TIMING: 377800 CPU: 1097.98, 0.0029016/step Wall: 1097.98, 0.0029016/step, 3.7255 hours remaining, 204.796875 MB of memory in use. ENERGY: 377800 743.2252 2064.6285 1981.6695 119.3809 -205966.1200 17750.9008 0.0000 0.0000 33960.0575 -149346.2575 296.5816 -183306.3150 -149247.2404 298.0404 -168.6426 -138.1254 560376.9448 14.6785 14.7670 PRESSURE: 378000 14.0135 55.1501 -77.5089 55.1492 231.281 177.62 -77.5096 177.62 -34.888 GPRESSURE: 378000 74.1755 93.4497 -50.7923 130.465 236.233 75.5482 -64.3648 197.106 -17.9623 PRESSAVG: 378000 38.01 30.0578 -3.87218 30.0578 5.91772 18.2502 -3.87208 18.2501 -49.0643 GPRESSAVG: 378000 38.1644 29.0269 -4.94838 29.8366 5.43543 19.4617 -4.74528 17.8458 -48.495 TIMING: 378000 CPU: 1098.55, 0.00289403/step Wall: 1098.55, 0.00289403/step, 3.71561 hours remaining, 204.796875 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: 378000 743.6809 2078.7448 1965.2470 110.0330 -206556.6534 18122.4030 0.0000 0.0000 34069.8396 -149466.7052 297.5404 -183536.5449 -149370.4602 298.8280 70.1354 97.4820 557819.5948 -1.7122 -1.6317 PRESSURE: 378200 -367.977 44.042 -94.7582 44.042 188.789 29.1323 -94.7598 29.1311 23.8995 GPRESSURE: 378200 -375.836 59.3103 -98.4823 123.308 204.589 116.599 -97.3783 -13.1748 113.641 PRESSAVG: 378200 -28.451 14.9362 -20.7263 14.9362 75.0907 10.2599 -20.7263 10.2598 -22.5749 GPRESSAVG: 378200 -29.0755 14.835 -20.0397 15.1754 75.4837 9.85946 -19.4832 11.524 -22.1292 TIMING: 378200 CPU: 1099.13, 0.00289863/step Wall: 1099.13, 0.00289863/step, 3.72135 hours remaining, 204.796875 MB of memory in use. ENERGY: 378200 693.8701 2098.1791 1949.2323 107.0096 -206453.1960 17821.2711 0.0000 0.0000 34156.3899 -149627.2439 298.2962 -183783.6338 -149526.1325 298.1017 -51.7627 -19.2018 557711.3473 8.0216 8.0930 PRESSURE: 378400 -3.28188 108.844 -45.2365 108.845 32.9082 -110.111 -45.2365 -110.112 -84.0207 GPRESSURE: 378400 -17.3449 138.975 -2.11714 100.28 71.7648 -176.697 -58.6332 -100.082 -18.006 PRESSAVG: 378400 -29.2972 -57.704 -47.9345 -57.704 22.2188 -38.9071 -47.9345 -38.907 10.0778 GPRESSAVG: 378400 -28.049 -56.2456 -46.9735 -57.9474 22.2845 -36.979 -49.9847 -41.163 8.7557 TIMING: 378400 CPU: 1099.71, 0.00288132/step Wall: 1099.71, 0.00288132/step, 3.69898 hours remaining, 204.796875 MB of memory in use. ENERGY: 378400 715.2286 2058.6710 1956.4762 108.0115 -206061.9167 17680.4136 0.0000 0.0000 34093.0326 -149450.0833 297.7429 -183543.1158 -149357.4887 298.9809 -18.1315 12.1380 557875.1510 0.9998 0.9971 PRESSURE: 378600 -225.175 76.5083 -51.178 76.5079 -210.289 -144.106 -51.1791 -144.105 -38.477 GPRESSURE: 378600 -154.204 47.8773 -42.1882 92.7193 -177.513 -135.656 -118.204 -236.138 -27.9392 PRESSAVG: 378600 19.4414 -44.8925 -38.3191 -44.8925 24.0824 -12.7365 -38.3191 -12.7364 -41.9679 GPRESSAVG: 378600 19.239 -45.5163 -41.0367 -45.6613 24.653 -15.3972 -36.3815 -12.482 -42.3424 TIMING: 378600 CPU: 1100.29, 0.00288766/step Wall: 1100.29, 0.00288766/step, 3.70696 hours remaining, 204.796875 MB of memory in use. ENERGY: 378600 728.1784 2017.1996 1944.1685 99.0589 -205987.6477 17588.9125 0.0000 0.0000 34058.2272 -149551.9025 297.4390 -183610.1297 -149455.0017 297.8730 -157.9804 -119.8855 557634.3082 0.5186 0.5165 PRESSURE: 378800 171.643 -33.8746 48.0267 -33.8732 -74.4761 68.5175 48.0271 68.5171 -316.426 GPRESSURE: 378800 212.742 -99.9066 41.0165 -55.6414 -32.5841 19.7673 78.2274 -18.7405 -304.287 PRESSAVG: 378800 21.0109 8.28123 18.7411 8.28122 15.3747 7.31923 18.7411 7.31931 -88.9577 GPRESSAVG: 378800 19.3419 9.08083 20.7104 7.52905 15.5826 6.08441 17.1289 7.72845 -88.0188 TIMING: 378800 CPU: 1100.87, 0.00290427/step Wall: 1100.87, 0.00290427/step, 3.72812 hours remaining, 204.796875 MB of memory in use. ENERGY: 378800 754.0241 2086.5217 1956.9614 97.1624 -206400.8946 17876.9793 0.0000 0.0000 34063.1811 -149566.0646 297.4822 -183629.2457 -149475.0422 297.7375 -73.0864 -41.3763 557914.1219 -17.5240 -17.6981 PRESSURE: 379000 -88.9809 -171.56 52.4713 -171.558 -232.476 76.8972 52.4722 76.8983 -20.0171 GPRESSURE: 379000 -102.647 -141.781 49.9547 -144.981 -185.684 30.0528 123.485 40.7688 46.8277 PRESSAVG: 379000 76.9319 -25.0668 2.19049 -25.0669 -41.6941 -14.3191 2.19048 -14.3191 -26.5382 GPRESSAVG: 379000 77.4591 -26.7513 1.35947 -22.6194 -41.9599 -14.4355 2.92282 -15.188 -26.5109 TIMING: 379000 CPU: 1101.45, 0.00290709/step Wall: 1101.45, 0.00290709/step, 3.73157 hours remaining, 204.796875 MB of memory in use. ENERGY: 379000 755.5579 2067.5302 1943.8281 112.1499 -206127.6658 17795.3688 0.0000 0.0000 34038.9075 -149414.3233 297.2702 -183453.2309 -149321.6697 297.6334 -113.8247 -80.5009 558209.2315 2.8999 2.9961 PRESSURE: 379200 -96.4142 45.3249 -84.1718 45.3233 -114.493 -66.4003 -84.1718 -66.4015 31.5381 GPRESSURE: 379200 -96.4628 137.442 -21.9688 4.82467 -63.1846 -59.5298 -127.53 -71.3967 81.175 PRESSAVG: 379200 110.482 -18.8706 -22.7124 -18.8707 -75.7939 28.5753 -22.7125 28.5754 1.51003 GPRESSAVG: 379200 111.068 -18.1335 -20.463 -20.778 -76.2016 30.2822 -23.0241 29.7322 1.48611 TIMING: 379200 CPU: 1102.03, 0.00289356/step Wall: 1102.03, 0.00289356/step, 3.71405 hours remaining, 204.796875 MB of memory in use. ENERGY: 379200 771.9021 2055.7730 1959.1288 113.7325 -206106.1808 17644.3114 0.0000 0.0000 34026.6111 -149534.7219 297.1629 -183561.3331 -149445.4415 298.3849 -59.7896 -26.1575 556878.2820 12.0661 12.1175 PRESSURE: 379400 -93.0134 -186.192 -111.261 -186.19 -167.13 -1.68781 -111.26 -1.6897 99.7688 GPRESSURE: 379400 -12.7923 -217.152 -171.342 -109.079 -133.908 21.1225 -38.2223 -22.0784 80.0784 PRESSAVG: 379400 67.3698 -17.4863 1.06618 -17.4863 -33.5547 15.7914 1.06613 15.7913 27.6594 GPRESSAVG: 379400 67.1725 -18.3906 -0.325861 -16.0107 -34.0462 15.3825 1.70613 15.066 28.6066 TIMING: 379400 CPU: 1102.61, 0.0028936/step Wall: 1102.61, 0.0028936/step, 3.71393 hours remaining, 204.796875 MB of memory in use. ENERGY: 379400 744.1206 1996.2865 1977.7950 107.7698 -206280.6009 17710.1884 0.0000 0.0000 34383.6913 -149360.7493 300.2813 -183744.4406 -149265.6972 298.5305 -53.4582 -22.2072 557133.5615 20.4915 20.5776 PRESSURE: 379600 -95.2146 116.147 33.53 116.148 88.4059 37.2048 33.5309 37.2051 -96.5686 GPRESSURE: 379600 -42.5957 92.1383 75.8418 92.0234 173.451 -54.1966 94.1082 52.1244 -130.937 PRESSAVG: 379600 -2.1143 -7.09895 -6.4526 -7.09899 12.4373 15.174 -6.45253 15.1739 20.9448 GPRESSAVG: 379600 -1.13832 -6.9037 -6.61656 -8.06952 12.9203 16.0958 -6.82522 15.8346 19.5305 TIMING: 379600 CPU: 1103.19, 0.00291675/step Wall: 1103.19, 0.00291675/step, 3.74348 hours remaining, 204.796875 MB of memory in use. ENERGY: 379600 728.1637 2087.2680 1976.2741 111.6196 -205907.4517 17624.8995 0.0000 0.0000 34120.3078 -149258.9190 297.9811 -183379.2267 -149166.8811 298.2654 -34.4591 -0.0274 557572.2242 10.4226 10.4375 PRESSURE: 379800 -306.157 34.8922 18.6195 34.8924 -72.1174 -197.941 18.6183 -197.943 -256.204 GPRESSURE: 379800 -227.606 -3.10215 -22.4215 44.632 -67.4322 -188.98 57.5906 -216.437 -235.051 PRESSAVG: 379800 -12.4884 -26.7347 -3.89158 -26.7347 7.86622 -39.667 -3.89159 -39.6671 8.08605 GPRESSAVG: 379800 -13.7785 -25.2253 -5.00611 -26.9877 7.92955 -39.3228 -1.98704 -38.9063 9.43768 TIMING: 379800 CPU: 1103.77, 0.00289733/step Wall: 1103.77, 0.00289733/step, 3.7184 hours remaining, 204.796875 MB of memory in use. ENERGY: 379800 770.7545 2031.0693 1986.3685 117.3770 -205707.0010 17520.7333 0.0000 0.0000 34147.0835 -149133.6148 298.2150 -183280.6983 -149036.8086 299.6995 -211.4927 -176.6962 559400.2762 1.1546 1.1962 PRESSURE: 380000 87.3029 -78.0566 -30.4273 -78.0558 -156.221 -92.4011 -30.4285 -92.3997 -269.611 GPRESSURE: 380000 89.3435 -85.4306 70.6436 7.97654 -107.293 -113.07 -66.9355 -78.2751 -216.633 PRESSAVG: 380000 20.2815 5.17381 -30.8148 5.17385 37.4755 -43.7517 -30.8149 -43.7518 -65.6045 GPRESSAVG: 380000 20.7157 4.74 -31.467 4.43847 37.4614 -44.9389 -32.9541 -42.3335 -65.587 TIMING: 380000 CPU: 1104.35, 0.00291356/step Wall: 1104.35, 0.00291356/step, 3.73907 hours remaining, 204.796875 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: 380000 755.1407 2039.6331 1964.0914 121.5699 -205636.6078 17540.7387 0.0000 0.0000 34176.6053 -149038.8286 298.4728 -183215.4340 -148947.6905 299.5233 -112.8431 -78.1939 558431.6707 -2.6158 -2.4700 PRESSURE: 380200 -126.445 -131.021 68.0727 -131.021 90.7055 75.4057 68.0726 75.4052 -5.33771 GPRESSURE: 380200 -114.301 -186.885 42.901 -175.062 179.132 39.4667 101.547 148.774 -2.22263 PRESSAVG: 380200 31.0274 32.9264 -13.2165 32.9263 42.0941 17.9193 -13.2165 17.9192 -46.8286 GPRESSAVG: 380200 31.9648 31.4752 -9.83413 31.0758 42.8875 16.7824 -12.69 18.7071 -48.1622 TIMING: 380200 CPU: 1104.93, 0.0029019/step Wall: 1104.93, 0.0029019/step, 3.72395 hours remaining, 204.796875 MB of memory in use. ENERGY: 380200 748.1120 2053.8980 1996.0293 120.7661 -205863.4085 17728.6210 0.0000 0.0000 34515.5208 -148700.4613 301.4326 -183215.9822 -148607.9810 300.4412 -13.6924 20.8693 558329.4851 8.7643 8.8967 LDB: ============= START OF LOAD BALANCING ============== 1108.4 LDB: ============== END OF LOAD BALANCING =============== 1108.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1108.4 LDB: ============= START OF LOAD BALANCING ============== 1108.69 LDB: Largest compute 4855 load 0.028975 is 24.7% of average load 0.117492 LDB: Average compute 0.001737 is 1.5% of average load 0.117492 LDB: TIME 1108.7 LOAD: AVG 0.117492 MAX 0.176611 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.977 MB LDB: TIME 1108.7 LOAD: AVG 0.117492 MAX 0.176611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.215 MB LDB: TIME 1108.7 LOAD: AVG 0.117492 MAX 0.176611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1108.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1108.7 PRESSURE: 380400 114.817 5.02118 153.769 5.0214 16.4898 76.0358 153.769 76.0365 159.886 GPRESSURE: 380400 155.005 17.0171 80.7864 -8.13763 17.6669 75.3193 170.332 133.511 210.688 PRESSAVG: 380400 -84.5279 7.89303 8.12071 7.893 43.6463 3.16935 8.12074 3.16939 31.4141 GPRESSAVG: 380400 -84.7609 9.15271 4.99569 11.0293 43.229 4.06126 10.1758 1.62587 32.0122 TIMING: 380400 CPU: 1105.53, 0.0029686/step Wall: 1105.53, 0.0029686/step, 3.80937 hours remaining, 202.996094 MB of memory in use. ENERGY: 380400 768.6295 2092.9933 2003.4748 119.1276 -206343.2188 18096.5039 0.0000 0.0000 34248.5213 -149013.9683 299.1009 -183262.4896 -148918.7670 300.5056 97.0644 127.7868 557949.4366 -3.1558 -3.1733 PRESSURE: 380600 -471.331 -121.923 -79.3521 -121.922 -470.6 -13.5736 -79.352 -13.5723 -266.783 GPRESSURE: 380600 -470.062 -97.6606 -122.781 -87.345 -443.901 -6.43452 -43.5127 -61.1571 -193.403 PRESSAVG: 380600 -41.3036 -56.1761 32.4501 -56.176 22.4222 -32.2806 32.4501 -32.2807 28.4475 GPRESSAVG: 380600 -41.0383 -54.5201 34.1612 -57.1377 22.4485 -31.8967 30.5172 -32.9234 28.3678 TIMING: 380600 CPU: 1106.11, 0.00291933/step Wall: 1106.11, 0.00291933/step, 3.74598 hours remaining, 203.457031 MB of memory in use. ENERGY: 380600 762.8445 2050.7781 1986.6941 94.9496 -205826.4488 17306.1605 0.0000 0.0000 34535.2214 -149089.8007 301.6047 -183625.0221 -148987.9576 299.4117 -402.9046 -369.1223 558870.9030 3.1887 3.2593 PRESSURE: 380800 -181.459 -35.3133 2.72131 -35.3139 105.892 31.9021 2.721 31.9017 -83.554 GPRESSURE: 380800 -147.341 -17.5614 -45.0396 13.6928 105.539 13.6533 -17.0249 45.346 -25.1988 PRESSAVG: 380800 -24.9439 -10.8217 -43 -10.8217 21.0746 -56.7131 -43 -56.713 -29.1461 GPRESSAVG: 380800 -25.243 -12.7873 -41.7907 -10.0429 20.9839 -56.0682 -42.7673 -55.7481 -28.4314 TIMING: 380800 CPU: 1106.69, 0.00291235/step Wall: 1106.69, 0.00291235/step, 3.73687 hours remaining, 203.457031 MB of memory in use. ENERGY: 380800 743.7370 2035.5815 1986.0069 111.9944 -206010.3312 17799.3053 0.0000 0.0000 34319.8638 -149013.8422 299.7239 -183333.7060 -148919.6882 300.0558 -53.0403 -22.3337 558893.2982 -11.0051 -10.8968 PRESSURE: 381000 -328.61 63.5538 -93.0773 63.553 174.455 -2.01631 -93.0772 -2.0155 -122.574 GPRESSURE: 381000 -347.474 23.9801 -114.324 62.7041 231.803 -116.472 16.3989 65.9082 -65.4876 PRESSAVG: 381000 -8.29975 27.5449 2.3891 27.5449 45.2288 -16.6893 2.38922 -16.6893 -36.4734 GPRESSAVG: 381000 -7.0157 26.2719 1.0544 27.2965 45.3358 -15.31 3.96107 -17.6887 -37.5863 TIMING: 381000 CPU: 1107.28, 0.00291209/step Wall: 1107.28, 0.00291209/step, 3.73638 hours remaining, 203.464844 MB of memory in use. ENERGY: 381000 787.2935 2111.3897 2015.7764 108.1068 -205651.7232 17579.3384 0.0000 0.0000 34098.5391 -148951.2794 297.7910 -183049.8185 -148857.2460 299.1598 -92.2430 -60.3862 558638.3083 0.1519 0.2446 PRESSURE: 381200 -5.19902 35.677 -192.188 35.6775 -311.562 -14.3438 -192.188 -14.3445 -191.931 GPRESSURE: 381200 40.6609 -4.69203 -239.369 -14.3121 -279.861 96.8169 -224.768 -58.3039 -165.316 PRESSAVG: 381200 27.7976 14.8427 -6.9808 14.8427 20.4632 -25.8747 -6.98083 -25.8747 -15.4968 GPRESSAVG: 381200 27.4454 18.1905 -7.62392 12.1587 19.9094 -28.8316 -7.28486 -25.1077 -14.6755 TIMING: 381200 CPU: 1107.86, 0.00291059/step Wall: 1107.86, 0.00291059/step, 3.73428 hours remaining, 203.464844 MB of memory in use. ENERGY: 381200 755.4965 2059.5254 1958.9760 109.0773 -205802.5098 17611.2542 0.0000 0.0000 34318.3540 -148989.8265 299.7107 -183308.1805 -148883.5766 299.2807 -169.5639 -134.8389 558837.3177 10.9213 10.8931 PRESSURE: 381400 -325.584 -171.29 62.1008 -171.288 -122.753 94.8193 62.1006 94.8222 -77.736 GPRESSURE: 381400 -256.675 -179.108 55.4182 -204.158 -68.1149 87.1049 50.1977 99.808 -118.49 PRESSAVG: 381400 28.84 45.0532 -30.4608 45.0531 -24.1361 2.14134 -30.4608 2.14138 -49.4911 GPRESSAVG: 381400 29.1888 43.0912 -29.6687 46.2318 -24.4205 2.49282 -30.7016 2.35426 -49.7754 TIMING: 381400 CPU: 1108.44, 0.00289517/step Wall: 1108.44, 0.00289517/step, 3.71435 hours remaining, 203.535156 MB of memory in use. ENERGY: 381400 739.2574 2089.5993 1973.7032 127.0921 -205468.0311 17502.0870 0.0000 0.0000 34042.0489 -148994.2432 297.2977 -183036.2921 -148903.2193 299.4986 -175.3576 -147.7601 558124.3980 -14.9291 -15.0024 PRESSURE: 381600 -136.718 -35.7562 149.334 -35.7568 -149.792 2.42761 149.334 2.42588 -88.2149 GPRESSURE: 381600 -125.56 -22.9661 150.064 -57.44 -67.9384 100.377 83.9216 52.2006 -96.2787 PRESSAVG: 381600 55.5181 10.4428 18.6915 10.4428 2.24025 -19.6579 18.6915 -19.658 -30.4219 GPRESSAVG: 381600 55.266 10.7608 17.5465 9.78856 2.17665 -20.5794 18.8491 -18.2045 -30.5934 TIMING: 381600 CPU: 1109.02, 0.00290002/step Wall: 1109.02, 0.00290002/step, 3.72041 hours remaining, 203.535156 MB of memory in use. ENERGY: 381600 718.6567 2040.2866 1977.4205 120.9467 -205601.0857 17466.6557 0.0000 0.0000 34236.3420 -149040.7776 298.9945 -183277.1195 -148939.2639 299.0617 -124.9083 -96.5924 557805.2417 9.1122 8.9498 PRESSURE: 381800 -253.187 -7.74648 122.392 -7.74647 -46.5878 97.9452 122.393 97.9454 -174.47 GPRESSURE: 381800 -209.572 -38.7696 164.792 -73.4461 -16.7673 110.32 135.742 105.118 -143.928 PRESSAVG: 381800 20.9979 -22.0028 49.3901 -22.0029 -0.467449 -0.35004 49.3901 -0.349857 4.03991 GPRESSAVG: 381800 21.2469 -22.2285 51.0674 -20.8566 -0.239751 0.890367 48.752 -0.363123 2.78169 TIMING: 381800 CPU: 1109.6, 0.00289311/step Wall: 1109.6, 0.00289311/step, 3.71137 hours remaining, 203.535156 MB of memory in use. ENERGY: 381800 756.2431 2102.3024 1988.3394 122.5840 -206139.9586 17698.7715 0.0000 0.0000 34198.6643 -149273.0540 298.6654 -183471.7183 -149179.6889 299.5810 -158.0816 -123.4224 557113.5986 8.1901 7.9296 PRESSURE: 382000 70.7399 -50.3041 28.1573 -50.3053 101.136 -21.4447 28.1573 -21.4453 -7.0207 GPRESSURE: 382000 172.383 -117.646 58.5996 34.5797 136.824 -46.2273 63.1728 -92.0988 -45.0228 PRESSAVG: 382000 34.1991 -7.28779 28.4359 -7.28768 -33.1812 -3.39462 28.4358 -3.39459 -18.5882 GPRESSAVG: 382000 33.8247 -7.55934 27.8099 -6.69614 -33.547 -3.42835 28.4079 -6.01585 -18.0447 TIMING: 382000 CPU: 1110.17, 0.00288836/step Wall: 1110.17, 0.00288836/step, 3.70513 hours remaining, 203.535156 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: 382000 743.2390 2106.8057 1993.2713 125.1195 -206453.5813 18021.7224 0.0000 0.0000 34248.3051 -149215.1182 299.0990 -183463.4233 -149119.4010 299.2133 54.9517 88.0613 558024.4932 -5.8568 -5.9223 PRESSURE: 382200 160.283 -60.7351 -24.0148 -60.7351 245.39 -174.807 -24.0153 -174.808 110.683 GPRESSURE: 382200 225.443 -91.8002 -74.949 -142.552 277.528 -171.498 23.6267 -149.62 119.335 PRESSAVG: 382200 40.6938 -10.3332 64.602 -10.3332 -46.1246 10.3097 64.6021 10.3098 1.63859 GPRESSAVG: 382200 40.3152 -10.8562 64.2585 -11.2674 -45.8444 11.2632 65.1273 10.6184 1.336 TIMING: 382200 CPU: 1110.75, 0.00290229/step Wall: 1110.75, 0.00290229/step, 3.72283 hours remaining, 203.535156 MB of memory in use. ENERGY: 382200 741.8409 2076.1196 2001.1080 112.2753 -206745.3522 18255.7943 0.0000 0.0000 34324.9990 -149233.2151 299.7688 -183558.2140 -149133.7231 299.0365 172.1189 207.4352 556815.3765 -1.2641 -1.3977 PRESSURE: 382400 -130.024 -48.4215 32.2328 -48.4224 150.909 -27.2388 32.2329 -27.238 -102.12 GPRESSURE: 382400 -115.513 -65.43 -19.7646 -17.0962 234.009 -43.313 68.6981 1.68853 -101.052 PRESSAVG: 382400 -31.0728 -5.84539 -46.3295 -5.84546 26.8211 -38.0484 -46.3294 -38.0483 -25.7803 GPRESSAVG: 382400 -31.0979 -4.29964 -46.6208 -5.41461 26.7797 -38.7003 -47.4449 -38.1649 -25.7271 TIMING: 382400 CPU: 1111.33, 0.00290143/step Wall: 1111.33, 0.00290143/step, 3.72157 hours remaining, 203.535156 MB of memory in use. ENERGY: 382400 726.4311 2075.3972 1976.1918 108.7099 -205872.6707 17818.1933 0.0000 0.0000 34065.3429 -149102.4046 297.5011 -183167.7475 -149005.6330 299.0560 -27.0781 5.8145 558582.9584 -10.0107 -10.0151 PRESSURE: 382600 9.07485 -87.5782 41.3573 -87.578 39.5208 48.2369 41.3574 48.2379 -60.149 GPRESSURE: 382600 50.8977 -105.6 23.27 -95.3599 57.8155 32.8184 134.602 -35.4539 -28.5881 PRESSAVG: 382600 -17.9353 -81.8149 10.3657 -81.815 -28.6537 0.868493 10.3658 0.868422 34.8178 GPRESSAVG: 382600 -18.7439 -83.7283 11.3832 -80.3097 -28.0562 0.443077 9.60991 1.47489 35.022 TIMING: 382600 CPU: 1111.91, 0.00288478/step Wall: 1111.91, 0.00288478/step, 3.70005 hours remaining, 203.535156 MB of memory in use. ENERGY: 382600 744.4097 2048.4845 1987.0500 105.8132 -206242.4981 17855.4266 0.0000 0.0000 34302.5953 -149198.7188 299.5731 -183501.3141 -149104.6369 298.9114 -3.8511 26.7084 557279.6492 -3.9237 -3.9260 PRESSURE: 382800 -146.255 58.5752 -154.899 58.575 23.1849 193.91 -154.9 193.912 -72.812 GPRESSURE: 382800 -144.885 82.2742 -141.994 50.3319 61.1376 185.549 -77.6471 268.199 -25.3712 PRESSAVG: 382800 35.6865 37.116 0.15269 37.116 -51.9187 22.9619 0.152695 22.9619 11.4199 GPRESSAVG: 382800 35.9258 39.315 -0.732521 36.5667 -52.1743 24.5569 3.39918 22.0148 11.2995 TIMING: 382800 CPU: 1112.49, 0.00289741/step Wall: 1112.49, 0.0028974/step, 3.71608 hours remaining, 203.535156 MB of memory in use. ENERGY: 382800 736.5179 2036.7180 1969.8176 116.3950 -206071.7069 17655.8492 0.0000 0.0000 34267.9333 -149288.4758 299.2704 -183556.4091 -149195.6575 299.2704 -65.2940 -36.3730 557659.6873 -1.6041 -1.6497 PRESSURE: 383000 -102.557 -89.7247 -17.8735 -89.7245 -384.545 -117.769 -17.8741 -117.769 -398.43 GPRESSURE: 383000 -81.1834 -32.262 -27.5315 -96.5336 -323.596 -81.6738 -74.4425 -167.901 -374.107 PRESSAVG: 383000 -6.30183 39.4882 21.4174 39.4881 3.2157 2.22373 21.4174 2.22376 -16.9279 GPRESSAVG: 383000 -5.00984 38.898 21.5128 38.8386 2.82401 1.85992 20.7152 1.29162 -17.7098 TIMING: 383000 CPU: 1113.07, 0.00290909/step Wall: 1113.07, 0.00290909/step, 3.7309 hours remaining, 203.535156 MB of memory in use. ENERGY: 383000 770.6158 2090.9416 1969.9511 108.3214 -206019.1236 17480.2247 0.0000 0.0000 34256.6436 -149342.4254 299.1718 -183599.0690 -149244.4033 298.9613 -295.1773 -259.6287 559580.5521 -6.6713 -6.6319 PRESSURE: 383200 -28.183 -107.501 143.125 -107.502 -29.8426 29.3986 143.125 29.3988 49.6652 GPRESSURE: 383200 -31.0657 -119.169 123.892 -137.006 23.6684 60.1992 142.013 -66.1571 88.6593 PRESSAVG: 383200 -37.5641 11.3292 -4.58994 11.3292 22.5964 12.1828 -4.58992 12.1827 -30.7566 GPRESSAVG: 383200 -37.3251 12.9924 -5.06935 9.35898 22.8405 12.1021 -5.8823 14.7631 -30.2109 TIMING: 383200 CPU: 1113.65, 0.0028987/step Wall: 1113.65, 0.0028987/step, 3.71742 hours remaining, 203.535156 MB of memory in use. ENERGY: 383200 768.0336 2102.0521 1963.1901 98.8416 -205931.7263 17694.5999 0.0000 0.0000 34085.7632 -149219.2459 297.6794 -183305.0091 -149124.7172 298.5452 -2.7868 27.0873 557119.9902 -15.2414 -14.8985 PRESSURE: 383400 -139.692 103.522 50.894 103.522 225.815 71.3647 50.8944 71.3643 372.685 GPRESSURE: 383400 -82.7301 100.069 146.174 71.0607 229.616 102.016 73.1105 37.1969 399.092 PRESSAVG: 383400 -110.047 -14.3203 -5.70497 -14.3204 86.5864 42.7184 -5.70497 42.7184 42.3965 GPRESSAVG: 383400 -110.44 -15.122 -5.94274 -13.3621 85.605 43.2676 -4.90258 41.0371 44.0995 TIMING: 383400 CPU: 1114.23, 0.00289313/step Wall: 1114.23, 0.00289313/step, 3.71012 hours remaining, 203.535156 MB of memory in use. ENERGY: 383400 721.2411 2105.1369 1960.6130 127.0005 -206407.0185 17983.8180 0.0000 0.0000 34238.9217 -149270.2873 299.0170 -183509.2090 -149171.1279 299.2089 152.9359 181.9928 556288.6003 6.3119 6.4216 PRESSURE: 383600 24.1141 -254.909 -57.9097 -254.908 75.9907 15.4035 -57.9087 15.4043 81.0957 GPRESSURE: 383600 49.1373 -182.566 -45.208 -220.638 116.149 100.187 -150.855 -136.195 114.338 PRESSAVG: 383600 -81.8291 30.9009 64.0844 30.9009 31.8969 -6.51176 64.0844 -6.51152 44.8053 GPRESSAVG: 383600 -81.7653 31.161 66.9893 32.25 32.7876 -5.8014 63.0651 -6.80551 43.7701 TIMING: 383600 CPU: 1114.81, 0.00291883/step Wall: 1114.81, 0.00291883/step, 3.74291 hours remaining, 203.535156 MB of memory in use. ENERGY: 383600 742.2961 2142.4001 1958.9468 106.4177 -206196.6997 17903.0177 0.0000 0.0000 34148.4458 -149195.1754 298.2269 -183343.6213 -149104.4271 298.5846 60.4002 93.2080 557650.7303 -1.7090 -1.7359 PRESSURE: 383800 27.9715 -2.25776 -26.461 -2.25769 115.466 -65.9256 -26.4611 -65.9256 -308.076 GPRESSURE: 383800 44.8209 -5.33982 0.62247 -52.7722 151.466 -41.9713 17.2379 -21.0189 -272.084 PRESSAVG: 383800 0.828972 -59.8997 -3.52944 -59.8999 1.34132 -0.225073 -3.52946 -0.225164 39.6717 GPRESSAVG: 383800 0.997129 -61.6476 -6.59487 -59.4693 2.3029 -1.43273 -2.87658 0.0803737 38.8802 TIMING: 383800 CPU: 1115.4, 0.00290854/step Wall: 1115.4, 0.00290854/step, 3.72956 hours remaining, 203.535156 MB of memory in use. ENERGY: 383800 725.1562 2083.4524 1976.6137 124.5261 -205562.9521 17483.6933 0.0000 0.0000 34212.6515 -148956.8589 298.7876 -183169.5104 -148858.3488 299.6756 -54.8797 -25.2658 558245.2776 13.9473 14.0601 PRESSURE: 384000 80.332 168.59 165.193 168.59 57.4956 -166.652 165.192 -166.652 -78.2428 GPRESSURE: 384000 75.8011 149.408 180.131 202.485 85.6678 -134.175 110.577 -143.629 -2.85944 PRESSAVG: 384000 2.08147 50.6428 26.4137 50.6428 15.504 -23.1205 26.4138 -23.1205 -14.0676 GPRESSAVG: 384000 0.939048 51.8362 25.9118 50.2613 16.1771 -22.5192 27.1154 -22.23 -13.2951 TIMING: 384000 CPU: 1115.98, 0.00293538/step Wall: 1115.98, 0.00293538/step, 3.76381 hours remaining, 203.535156 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: 384000 765.2652 2068.4041 1970.7370 117.0240 -206150.4988 17793.4530 0.0000 0.0000 34596.8372 -148838.7782 302.1428 -183435.6154 -148737.8484 300.8403 19.8616 52.8698 556396.1129 1.1726 1.2737 PRESSURE: 384200 -97.9563 -125.264 201.224 -125.264 -109.035 -32.5627 201.224 -32.5623 -9.10731 GPRESSURE: 384200 -36.156 -170.686 221.391 -87.9276 -62.5667 -31.9297 179.347 -41.1774 -13.1324 PRESSAVG: 384200 70.043 31.865 21.3887 31.865 -60.2151 -4.0663 21.3886 -4.06642 12.424 GPRESSAVG: 384200 70.8772 30.2119 23.4667 32.9456 -61.1024 -4.00846 20.3304 -3.68863 12.3515 TIMING: 384200 CPU: 1116.57, 0.00292545/step Wall: 1116.57, 0.00292545/step, 3.75092 hours remaining, 203.535156 MB of memory in use. ENERGY: 384200 777.1784 2039.8946 2018.7107 104.3124 -205680.6403 17521.5234 0.0000 0.0000 34414.8851 -148804.1357 300.5538 -183219.0208 -148710.7993 300.9306 -72.0327 -37.2850 556994.0145 7.4173 7.3754 LDB: ============= START OF LOAD BALANCING ============== 1120.03 LDB: ============== END OF LOAD BALANCING =============== 1120.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1120.03 LDB: ============= START OF LOAD BALANCING ============== 1120.33 LDB: Largest compute 4820 load 0.027695 is 23.6% of average load 0.117587 LDB: Average compute 0.001735 is 1.5% of average load 0.117587 LDB: TIME 1120.33 LOAD: AVG 0.117587 MAX 0.177801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.832 MB LDB: TIME 1120.33 LOAD: AVG 0.117587 MAX 0.177801 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.836 MB LDB: TIME 1120.33 LOAD: AVG 0.117587 MAX 0.177801 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.836 MB LDB: ============== END OF LOAD BALANCING =============== 1120.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1120.33 PRESSURE: 384400 -176.785 -2.29883 -6.73459 -2.29904 -291.474 -159.238 -6.73479 -159.235 -362.055 GPRESSURE: 384400 -183.725 -4.49007 -44.4942 122.415 -190.535 -189.541 6.61848 -55.1287 -364.991 PRESSAVG: 384400 -10.0183 28.0924 9.31805 28.0924 -18.5565 -12.7623 9.31807 -12.7624 17.9027 GPRESSAVG: 384400 -9.84374 31.1985 9.05298 24.9688 -18.7721 -13.9619 10.2719 -12.3662 18.1411 TIMING: 384400 CPU: 1117.16, 0.00295599/step Wall: 1117.16, 0.00295599/step, 3.78991 hours remaining, 203.996094 MB of memory in use. ENERGY: 384400 745.9463 2107.6881 1963.8659 100.5508 -205423.5341 17375.8986 0.0000 0.0000 34267.4695 -148862.1149 299.2663 -183129.5844 -148762.6377 299.9732 -276.7714 -246.4173 558249.3509 -3.5574 -3.4916 PRESSURE: 384600 -250.998 137.817 -50.8391 137.816 -145.368 -55.1447 -50.8398 -55.1453 -196.478 GPRESSURE: 384600 -202.32 126.393 -43.2902 140.953 -127.601 -32.2125 -69.9835 -46.2051 -162.929 PRESSAVG: 384600 -38.0277 8.55127 7.19354 8.55133 -17.0798 -13.3648 7.19345 -13.3647 27.7871 GPRESSAVG: 384600 -38.9539 7.46047 6.45927 8.90954 -14.9808 -12.6025 6.62984 -15.1809 26.5801 TIMING: 384600 CPU: 1117.74, 0.00290083/step Wall: 1117.74, 0.00290083/step, 3.71903 hours remaining, 204.066406 MB of memory in use. ENERGY: 384600 763.5791 2040.9604 1963.5557 117.0921 -205663.9665 17527.5185 0.0000 0.0000 34257.3642 -148993.8965 299.1781 -183251.2607 -148898.6849 299.9048 -197.6146 -164.2836 557492.7256 -9.1068 -9.1182 PRESSURE: 384800 -139.131 4.53392 -128.134 4.53558 -158.139 43.7856 -128.134 43.7851 -22.3916 GPRESSURE: 384800 -93.9048 41.3491 -166.041 0.650712 -129.993 16.2209 -55.1904 56.9183 -2.18505 PRESSAVG: 384800 -22.9227 36.3156 -9.52139 36.3156 -17.5831 10.8745 -9.52136 10.8743 89.3782 GPRESSAVG: 384800 -21.6363 35.2567 -9.02589 35.8784 -19.1819 10.7764 -8.86894 11.3792 90.4032 TIMING: 384800 CPU: 1118.32, 0.00289773/step Wall: 1118.32, 0.00289773/step, 3.71489 hours remaining, 204.164062 MB of memory in use. ENERGY: 384800 728.9475 2095.5922 2006.5105 101.7259 -206159.5452 17825.2870 0.0000 0.0000 34377.3459 -149024.1363 300.2259 -183401.4822 -148926.4300 299.7332 -106.5539 -75.3611 557563.9844 16.2908 16.5283 PRESSURE: 385000 -37.599 104.508 68.2016 104.509 25.765 11.9059 68.2004 11.904 -135.624 GPRESSURE: 385000 3.49069 91.1268 61.2239 136.378 26.5383 -41.841 48.4841 89.8819 -89.2022 PRESSAVG: 385000 -11.0436 16.7488 41.9012 16.7487 -3.35917 10.0024 41.9012 10.0026 33.8577 GPRESSAVG: 385000 -12.371 16.7653 40.7472 18.2522 -2.08761 10.5628 39.2629 9.26942 33.7277 TIMING: 385000 CPU: 1118.9, 0.00288671/step Wall: 1118.9, 0.00288671/step, 3.7006 hours remaining, 204.164062 MB of memory in use. ENERGY: 385000 778.9502 2134.0087 1974.1620 110.6519 -206252.8307 17802.5243 0.0000 0.0000 34310.2380 -149142.2956 299.6398 -183452.5336 -149052.5848 299.5535 -49.1526 -19.7244 557194.6805 6.4850 6.4230 PRESSURE: 385200 -103.262 88.5823 -104.906 88.5817 -60.4815 117.51 -104.904 117.51 13.8037 GPRESSURE: 385200 -53.9651 168.432 -49.8774 80.9094 -22.587 159.807 -137.641 49.2608 30.7916 PRESSAVG: 385200 -10.7651 -2.37737 78.2204 -2.37744 -4.63036 24.304 78.2204 24.3039 -19.0992 GPRESSAVG: 385200 -10.4869 -1.47084 80.7892 -3.31415 -5.52411 22.6437 80.861 24.1327 -18.582 TIMING: 385200 CPU: 1119.48, 0.00290186/step Wall: 1119.48, 0.00290186/step, 3.71986 hours remaining, 204.164062 MB of memory in use. ENERGY: 385200 739.2741 2140.5320 1963.9964 115.3885 -205931.7224 17768.0278 0.0000 0.0000 33961.1556 -149243.3479 296.5912 -183204.5035 -149157.8730 299.2423 -49.9800 -15.2535 557912.4901 -11.4982 -11.5310 PRESSURE: 385400 60.255 -204.803 161.304 -204.803 -114.192 61.9244 161.303 61.9237 96.3128 GPRESSURE: 385400 77.3914 -148.009 151.008 -206.245 -77.4119 58.4803 118.685 18.9806 124.206 PRESSAVG: 385400 -39.0745 1.82995 -40.5279 1.82994 -7.29751 93.4867 -40.5278 93.4867 51.9909 GPRESSAVG: 385400 -39.9386 2.63763 -42.2776 1.03496 -6.10415 94.2971 -41.3551 94.4286 51.0836 TIMING: 385400 CPU: 1120.05, 0.00288785/step Wall: 1120.05, 0.00288785/step, 3.70174 hours remaining, 204.164062 MB of memory in use. ENERGY: 385400 791.1989 2112.1030 1990.6581 124.0782 -206458.6876 17995.7284 0.0000 0.0000 34433.5645 -149011.3565 300.7169 -183444.9210 -148917.9182 299.8733 14.1252 41.3951 557953.9000 1.8729 1.6803 PRESSURE: 385600 -143.584 -171.47 -15.6626 -171.469 -179.44 -22.6469 -15.6617 -22.6472 214.243 GPRESSURE: 385600 -19.2764 -241.961 -39.2516 -99.109 -142.977 67.23 -1.41602 -103.89 154.161 PRESSAVG: 385600 4.92934 4.14505 26.3483 4.14507 2.31854 23.0895 26.3483 23.0895 21.9091 GPRESSAVG: 385600 6.05892 2.00346 25.3955 5.5922 1.00557 24.4446 26.4144 21.3006 21.6409 TIMING: 385600 CPU: 1120.63, 0.00287329/step Wall: 1120.63, 0.00287329/step, 3.68292 hours remaining, 204.164062 MB of memory in use. ENERGY: 385600 764.9309 2142.0478 1956.3417 125.7925 -205926.8744 17795.5726 0.0000 0.0000 34300.4246 -148841.7642 299.5541 -183142.1888 -148749.7742 300.0422 -36.2604 -2.6975 558095.7323 9.7190 9.5685 PRESSURE: 385800 -176.147 -135.246 -40.439 -135.245 32.3768 163.552 -40.4394 163.552 -90.6401 GPRESSURE: 385800 -141.641 -81.213 -81.4987 -123.203 110.238 193.059 -95.6479 115.709 -103.88 PRESSAVG: 385800 -11.8433 -80.3227 11.3881 -80.3228 -12.3224 35.8548 11.3882 35.8548 47.6124 GPRESSAVG: 385800 -12.972 -79.3881 10.9976 -81.3317 -11.742 35.7325 11.1122 38.2623 47.754 TIMING: 385800 CPU: 1121.2, 0.00287579/step Wall: 1121.2, 0.00287579/step, 3.68596 hours remaining, 204.164062 MB of memory in use. ENERGY: 385800 737.0962 2098.8695 1993.8013 109.8536 -206030.7601 17698.8556 0.0000 0.0000 34691.2580 -148701.0258 302.9674 -183392.2838 -148594.7742 300.2736 -78.1367 -45.0943 557757.4231 7.8156 7.6800 PRESSURE: 386000 4.60565 -91.8809 42.8095 -91.8809 138.729 82.2459 42.8083 82.2472 -192.922 GPRESSURE: 386000 51.7169 -128.893 6.86089 7.24215 119.631 105.29 41.4065 63.5806 -129.36 PRESSAVG: 386000 -2.03886 -33.1209 -31.7156 -33.1209 -26.5408 -0.782794 -31.7155 -0.782655 31.5888 GPRESSAVG: 386000 -1.41825 -32.5335 -32.563 -32.8499 -25.9794 -0.896824 -31.4932 -1.94929 30.5738 TIMING: 386000 CPU: 1121.78, 0.00288659/step Wall: 1121.78, 0.00288659/step, 3.69964 hours remaining, 204.164062 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: 386000 756.9203 2076.8520 1973.8699 130.6299 -205736.2875 17684.3574 0.0000 0.0000 34474.4006 -148639.2574 301.0735 -183113.6580 -148542.7720 300.5090 -16.5294 13.9960 558939.7391 1.0030 1.0587 PRESSURE: 386200 263.327 -37.4394 -87.255 -37.4394 48.8839 17.3227 -87.2546 17.3229 144.108 GPRESSURE: 386200 302.028 -177.794 -89.012 80.3144 36.5919 -9.69233 -113.583 1.52993 220.926 PRESSAVG: 386200 40.3119 -8.55778 -9.60393 -8.55782 -68.5657 -26.0974 -9.6039 -26.0974 48.9224 GPRESSAVG: 386200 40.6036 -9.72095 -7.95074 -6.99123 -69.3946 -28.7134 -8.30042 -25.6434 49.4518 TIMING: 386200 CPU: 1122.36, 0.00288768/step Wall: 1122.36, 0.00288768/step, 3.70088 hours remaining, 204.164062 MB of memory in use. ENERGY: 386200 747.5382 2147.6433 1955.8960 115.2184 -206308.1045 17985.8757 0.0000 0.0000 34614.1223 -148741.8106 302.2937 -183355.9329 -148645.4590 300.7078 152.1063 186.5154 556183.3191 6.8896 6.8869 PRESSURE: 386400 -16.8391 -15.4965 122.997 -15.4974 -125.227 84.324 122.997 84.3233 101.603 GPRESSURE: 386400 -45.8297 -33.714 135.959 19.8538 -33.3388 178.018 142.392 62.4707 122.507 PRESSAVG: 386400 30.0798 21.0399 45.4646 21.0399 -30.3657 -49.5533 45.4647 -49.5534 17.9513 GPRESSAVG: 386400 29.206 21.2824 46.4251 19.5584 -30.2787 -49.9986 44.4783 -50.0792 18.4296 TIMING: 386400 CPU: 1122.94, 0.002918/step Wall: 1122.94, 0.002918/step, 3.73958 hours remaining, 204.164062 MB of memory in use. ENERGY: 386400 762.9906 2100.9223 1988.9189 109.1155 -206054.0972 17867.5276 0.0000 0.0000 34534.8177 -148689.8045 301.6012 -183224.6223 -148597.5346 300.3372 -13.4876 14.4462 558125.9142 5.8885 5.7856 PRESSURE: 386600 -286.49 -14.357 16.0326 -14.3573 -342.574 355.555 16.033 355.557 -31.7032 GPRESSURE: 386600 -260.959 -10.9031 -5.54573 -17.1761 -269.683 310.148 -71.391 279.235 -28.0019 PRESSAVG: 386600 -12.2555 1.72653 0.948717 1.72649 -21.0153 -16.2648 0.948672 -16.2649 61.8572 GPRESSAVG: 386600 -12.2604 2.82737 -0.461093 0.793608 -20.0569 -13.8589 1.0443 -17.1718 60.6896 TIMING: 386600 CPU: 1123.52, 0.00288978/step Wall: 1123.52, 0.00288979/step, 3.70326 hours remaining, 204.164062 MB of memory in use. ENERGY: 386600 742.3535 2087.8011 1979.8513 103.8511 -205482.8914 17591.2853 0.0000 0.0000 34312.4201 -148665.3291 299.6589 -182977.7491 -148566.8643 300.4873 -220.2559 -186.2147 558735.4995 9.5288 9.4574 PRESSURE: 386800 274.344 -25.3766 14.3574 -25.376 158.848 -174.163 14.3594 -174.163 112.402 GPRESSURE: 386800 308.482 -68.9459 -8.57069 -3.04599 212.783 -207.223 39.5611 -69.1213 126.303 PRESSAVG: 386800 29.521 45.251 3.0529 45.2511 3.20649 34.2093 3.05293 34.2093 -50.1356 GPRESSAVG: 386800 31.1402 44.1272 1.9846 45.7281 1.63119 33.0217 4.38599 35.6789 -50.1698 TIMING: 386800 CPU: 1124.1, 0.00291007/step Wall: 1124.1, 0.00291007/step, 3.7291 hours remaining, 204.164062 MB of memory in use. ENERGY: 386800 742.6273 2089.8298 1958.8537 122.6632 -206228.2427 18085.7435 0.0000 0.0000 34605.6558 -148622.8694 302.2198 -183228.5252 -148528.1385 301.3317 181.8646 215.8563 556742.1342 -5.8027 -5.7995 PRESSURE: 387000 -45.2542 -123.172 -50.54 -123.171 -96.9802 143.862 -50.5394 143.864 77.2017 GPRESSURE: 387000 -0.404923 -62.3896 -32.8375 -24.7582 -71.9004 101.857 45.2883 112.856 106.476 PRESSAVG: 387000 -63.0925 -13.1491 -28.5934 -13.1492 69.4781 -25.3164 -28.5933 -25.3164 -52.7997 GPRESSAVG: 387000 -64.0262 -12.1604 -25.3811 -12.3098 69.7152 -25.9504 -28.6537 -27.6674 -52.4749 TIMING: 387000 CPU: 1124.68, 0.00290349/step Wall: 1124.68, 0.00290349/step, 3.7205 hours remaining, 204.164062 MB of memory in use. ENERGY: 387000 714.3243 2219.4514 1985.2726 114.7196 -205379.1336 17486.9205 0.0000 0.0000 34403.7234 -148454.7220 300.4563 -182858.4454 -148358.3368 301.6631 -21.6776 11.3902 558472.3374 -15.4714 -15.5953 PRESSURE: 387200 -290.766 63.4248 -11.1261 63.4236 -350.484 11.3354 -11.1272 11.335 -225.511 GPRESSURE: 387200 -276.051 18.1207 -58.7498 64.9262 -323.664 125.626 32.3822 36.4166 -175.43 PRESSAVG: 387200 16.5015 43.0199 -37.3381 43.0199 -76.3932 8.98231 -37.3382 8.98223 11.8321 GPRESSAVG: 387200 16.7198 39.7389 -37.0906 42.8411 -76.1205 9.28276 -39.0125 9.38044 11.8254 TIMING: 387200 CPU: 1125.27, 0.002928/step Wall: 1125.27, 0.002928/step, 3.75174 hours remaining, 204.164062 MB of memory in use. ENERGY: 387200 800.6702 2083.2555 1973.3538 100.4587 -205457.7206 17340.0316 0.0000 0.0000 34596.2976 -148563.6531 302.1381 -183159.9507 -148459.6178 301.0581 -288.9203 -258.3816 558101.4860 -16.0199 -15.8584 PRESSURE: 387400 -149.205 78.9427 -194.704 78.9438 -67.5036 62.1567 -194.703 62.1564 -71.1939 GPRESSURE: 387400 -120.959 129.824 -193.081 87.4449 48.4631 45.7406 -183.012 -18.7273 -119.153 PRESSAVG: 387400 -17.6716 -23.3732 -30.0133 -23.3733 -8.97642 23.7432 -30.0134 23.7432 29.9698 GPRESSAVG: 387400 -16.8983 -22.6136 -30.7329 -22.6356 -8.93718 25.3927 -28.8368 23.5155 28.9726 TIMING: 387400 CPU: 1125.86, 0.00293185/step Wall: 1125.86, 0.00293185/step, 3.75652 hours remaining, 204.164062 MB of memory in use. ENERGY: 387400 763.5267 2078.8682 1964.8598 109.3515 -205602.3981 17519.4568 0.0000 0.0000 34615.8634 -148550.4717 302.3089 -183166.3351 -148457.7510 300.7499 -95.9675 -63.8832 558748.0638 1.1072 1.0457 PRESSURE: 387600 -58.0459 -143.329 -37.9964 -143.328 -67.3528 -52.1578 -37.9962 -52.1577 165.458 GPRESSURE: 387600 -11.5608 -111.806 2.91571 -121.237 -64.5059 -120.926 -74.4857 -77.4373 202.944 PRESSAVG: 387600 5.04527 -30.7007 8.22586 -30.7007 -23.2528 44.8517 8.22594 44.8517 25.8284 GPRESSAVG: 387600 3.73549 -31.7311 6.18772 -30.9682 -23.2926 41.6221 7.86677 47.7844 26.7042 TIMING: 387600 CPU: 1126.44, 0.00291639/step Wall: 1126.44, 0.00291639/step, 3.73655 hours remaining, 204.164062 MB of memory in use. ENERGY: 387600 780.4778 2083.0954 1981.5531 109.1041 -205745.4222 17777.1138 0.0000 0.0000 34405.8630 -148608.2150 300.4750 -183014.0780 -148509.7652 301.4653 13.3531 42.2923 557914.0173 2.5403 2.3824 PRESSURE: 387800 491.588 -81.4842 0.101412 -81.4849 302.427 -26.9279 0.102353 -26.9276 218.203 GPRESSURE: 387800 517.318 -86.8148 63.0177 -7.0959 383.957 -44.4316 13.4887 -11.2326 218.171 PRESSAVG: 387800 -1.62114 -33.7699 -4.04736 -33.7698 56.3395 36.6005 -4.0473 36.6004 -19.1519 GPRESSAVG: 387800 -2.20501 -30.13 -2.57226 -33.7964 56.307 37.8972 -4.32796 33.9982 -18.7313 TIMING: 387800 CPU: 1127.02, 0.00291084/step Wall: 1127.02, 0.00291084/step, 3.72928 hours remaining, 204.164062 MB of memory in use. ENERGY: 387800 730.0579 2103.0907 2004.2174 116.9288 -206127.7937 18190.1115 0.0000 0.0000 34494.9291 -148488.4584 301.2528 -182983.3874 -148389.8191 300.7673 337.4061 373.1487 556531.1209 11.8555 11.7902 PRESSURE: 388000 -88.6184 -196.62 162.476 -196.62 -47.985 61.4391 162.478 61.4385 -316.53 GPRESSURE: 388000 -23.2059 -281.855 152.262 -76.6576 -42.0473 36.0682 179.862 120.135 -292.924 PRESSAVG: 388000 -4.06166 37.3803 101.23 37.3803 -0.32287 46.2047 101.23 46.2047 -0.644372 GPRESSAVG: 388000 -4.15288 37.2807 102.047 37.6974 -0.680692 46.4567 102.716 47.414 -0.752305 TIMING: 388000 CPU: 1127.61, 0.0029308/step Wall: 1127.61, 0.0029308/step, 3.75468 hours remaining, 204.421875 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: 388000 770.5205 2027.1781 2005.4234 111.8006 -205572.9372 17442.9338 0.0000 0.0000 34679.2858 -148535.7950 302.8628 -183215.0808 -148434.5216 301.1915 -151.0444 -119.3923 556209.9047 -1.6763 -1.8620 PRESSURE: 388200 -17.7287 -159.214 -119.557 -159.214 20.5286 -64.9328 -119.557 -64.9329 -221.682 GPRESSURE: 388200 -14.9134 -109.455 -31.1419 -149.66 15.1294 -99.1871 -133.396 -14.4093 -130.794 PRESSAVG: 388200 32.1006 -4.84352 35.9693 -4.84354 -11.9252 -23.0657 35.9693 -23.0657 -1.53909 GPRESSAVG: 388200 33.4384 -6.35544 35.3938 -3.79798 -13.4567 -22.7621 34.587 -26.9204 -1.58591 TIMING: 388200 CPU: 1128.19, 0.00292793/step Wall: 1128.19, 0.00292793/step, 3.75083 hours remaining, 204.421875 MB of memory in use. ENERGY: 388200 762.7611 2077.0494 2019.0361 113.8912 -205398.1039 17430.8335 0.0000 0.0000 34453.0825 -148541.4501 300.8873 -182994.5326 -148447.9122 301.6485 -72.9609 -43.5261 556669.5500 6.2121 6.1319 LDB: ============= START OF LOAD BALANCING ============== 1131.66 LDB: ============== END OF LOAD BALANCING =============== 1131.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1131.66 LDB: ============= START OF LOAD BALANCING ============== 1131.95 LDB: Largest compute 4855 load 0.028375 is 24.1% of average load 0.117552 LDB: Average compute 0.001730 is 1.5% of average load 0.117552 LDB: TIME 1131.96 LOAD: AVG 0.117552 MAX 0.179262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.996 MB LDB: TIME 1131.96 LOAD: AVG 0.117552 MAX 0.179262 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.996 MB LDB: TIME 1131.96 LOAD: AVG 0.117552 MAX 0.179262 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1131.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1131.96 PRESSURE: 388400 68.4482 97.412 -193.37 97.4114 186.349 -92.4387 -193.369 -92.4404 -144.142 GPRESSURE: 388400 127.654 90.8838 -173.027 118.109 153.633 -122.327 -231.074 -84.4946 -77.9131 PRESSAVG: 388400 73.6633 4.87506 -75.6644 4.87504 -12.9955 -5.15726 -75.6643 -5.15739 -29.6063 GPRESSAVG: 388400 72.0455 6.73309 -76.367 3.14643 -12.1558 -7.45241 -74.6305 -2.01923 -28.7485 TIMING: 388400 CPU: 1128.79, 0.00297472/step Wall: 1128.79, 0.00297472/step, 3.81061 hours remaining, 203.050781 MB of memory in use. ENERGY: 388400 791.4945 2114.7320 1992.3318 133.8120 -205697.2900 17545.6271 0.0000 0.0000 34580.8744 -148538.4183 302.0034 -183119.2927 -148439.9395 301.5506 36.8850 67.7912 556266.9495 10.3538 10.3804 PRESSURE: 388600 -52.8746 98.1276 -8.25531 98.1282 -53.5495 165.688 -8.25428 165.689 69.3136 GPRESSURE: 388600 35.848 124.468 -31.0493 37.3429 -71.7341 99.6217 27.5516 181.789 89.8754 PRESSAVG: 388600 -24.4451 14.0991 -7.20951 14.099 -29.1755 26.4538 -7.20949 26.4539 42.9291 GPRESSAVG: 388600 -23.4872 13.3946 -7.36832 11.9032 -29.5672 27.7226 -5.61809 26.7809 42.2452 TIMING: 388600 CPU: 1129.37, 0.00293638/step Wall: 1129.37, 0.00293638/step, 3.76135 hours remaining, 203.121094 MB of memory in use. ENERGY: 388600 731.4888 2098.5099 1957.7276 120.0448 -205789.1955 17565.4624 0.0000 0.0000 34733.6678 -148582.2943 303.3378 -183315.9620 -148486.9917 300.9052 -12.3701 17.9965 556391.8477 -3.5638 -3.6031 PRESSURE: 388800 -93.5651 133.042 -24.0699 133.042 119.299 -20.4174 -24.0704 -20.4165 -124.427 GPRESSURE: 388800 -76.5873 75.0888 -49.8758 107.592 150.875 -122.49 -24.3077 12.6625 -77.8317 PRESSAVG: 388800 1.63785 17.7191 -32.1328 17.7192 -26.8672 -20.3947 -32.1328 -20.3945 11.3764 GPRESSAVG: 388800 1.60723 18.2002 -32.2747 18.7145 -26.4482 -19.9765 -33.8344 -21.8385 10.36 TIMING: 388800 CPU: 1129.96, 0.00294715/step Wall: 1129.96, 0.00294715/step, 3.77497 hours remaining, 203.121094 MB of memory in use. ENERGY: 388800 739.7713 2016.8435 1988.0442 116.6902 -205647.9530 17631.6369 0.0000 0.0000 34311.8928 -148843.0743 299.6543 -183154.9671 -148745.4009 300.6894 -32.8977 -1.1812 556651.5793 -4.6177 -4.8270 PRESSURE: 389000 -146.218 -38.7489 25.6986 -38.749 68.834 -161.407 25.6986 -161.406 -250.792 GPRESSURE: 389000 -93.4936 -64.3149 77.2538 -0.751327 55.4704 -117.447 61.722 -201.101 -196.895 PRESSAVG: 389000 -62.4384 64.8609 32.0681 64.861 26.8206 -42.033 32.0681 -42.0329 -21.8886 GPRESSAVG: 389000 -63.4104 64.133 31.5995 64.5652 27.3766 -43.3276 32.0887 -40.1439 -21.2605 TIMING: 389000 CPU: 1130.55, 0.00292529/step Wall: 1130.55, 0.00292529/step, 3.74681 hours remaining, 203.121094 MB of memory in use. ENERGY: 389000 755.1262 2061.8012 1980.9824 111.7931 -205511.1451 17614.0583 0.0000 0.0000 34406.5177 -148580.8663 300.4807 -182987.3840 -148485.1311 300.3961 -109.3919 -78.3062 557571.9793 -19.1688 -19.0981 PRESSURE: 389200 -259.611 89.7781 96.0746 89.7786 59.4095 -81.9596 96.075 -81.9593 -123.414 GPRESSURE: 389200 -222.213 221.743 88.5152 -10.5974 60.5932 -205.935 46.2119 2.57344 -71.3251 PRESSAVG: 389200 1.8628 -32.8862 -31.8349 -32.8863 24.1708 -9.54749 -31.8348 -9.54741 -29.2685 GPRESSAVG: 389200 1.89531 -31.6602 -31.2427 -32.639 24.4351 -7.04503 -31.4018 -10.5531 -29.5784 TIMING: 389200 CPU: 1131.13, 0.00291192/step Wall: 1131.13, 0.00291192/step, 3.72953 hours remaining, 203.121094 MB of memory in use. ENERGY: 389200 769.2749 2092.9960 1992.1053 112.2602 -205934.9951 17719.4978 0.0000 0.0000 34478.1847 -148770.6763 301.1066 -183248.8609 -148670.7789 300.7998 -107.8717 -77.6484 558156.1200 -1.0783 -1.0827 PRESSURE: 389400 -147.801 -10.6352 -78.6123 -10.636 -180.154 81.4572 -78.6125 81.4581 -329.623 GPRESSURE: 389400 -106.388 4.44915 -128.754 33.8251 -96.8324 93.0855 -56.4949 77.8578 -361.159 PRESSAVG: 389400 5.42188 2.96312 -0.334047 2.96308 19.4781 -11.6254 -0.334052 -11.6254 -28.8839 GPRESSAVG: 389400 7.15969 -1.52584 -1.54787 3.61267 19.25 -12.6482 0.20657 -12.2362 -30.0363 TIMING: 389400 CPU: 1131.71, 0.00291147/step Wall: 1131.71, 0.00291147/step, 3.72879 hours remaining, 203.121094 MB of memory in use. ENERGY: 389400 815.6241 2058.0717 2007.2391 126.9733 -205796.9313 17509.3968 0.0000 0.0000 34360.7328 -148918.8934 300.0808 -183279.6262 -148826.2043 300.2086 -219.1926 -188.1263 558962.6250 -1.3280 -1.2089 PRESSURE: 389600 -72.9382 74.6207 45.4932 74.6215 -103.007 86.3751 45.4926 86.3755 31.3115 GPRESSURE: 389600 -57.7471 147.126 26.2754 76.592 -17.6533 110.143 -34.7153 106.059 34.9995 PRESSAVG: 389600 22.9278 -15.2712 6.75595 -15.2711 -67.8003 -32.9044 6.75593 -32.9046 23.8367 GPRESSAVG: 389600 21.6287 -11.8987 7.72954 -15.1966 -68.1543 -33.3184 4.387 -31.5484 24.8394 TIMING: 389600 CPU: 1132.29, 0.00289521/step Wall: 1132.29, 0.00289521/step, 3.7078 hours remaining, 203.121094 MB of memory in use. ENERGY: 389600 748.1915 2036.4159 1971.0307 119.0841 -205919.4057 17524.6069 0.0000 0.0000 34481.1595 -149038.9171 301.1325 -183520.0766 -148941.0195 299.7671 -48.2112 -13.4669 555665.2066 -7.0119 -7.2288 PRESSURE: 389800 125.202 -40.1483 128.274 -40.1476 -19.7546 -33.7582 128.273 -33.757 24.7881 GPRESSURE: 389800 165.196 15.7975 222.13 -69.7428 7.93303 4.83856 185.926 -31.1773 53.4502 PRESSAVG: 389800 1.72711 -11.1109 50.4961 -11.1109 7.66227 23.524 50.4961 23.5242 -5.82647 GPRESSAVG: 389800 0.777107 -12.1587 49.2306 -10.1601 8.72949 24.6413 51.7769 22.8573 -5.65525 TIMING: 389800 CPU: 1132.87, 0.00288028/step Wall: 1132.87, 0.00288028/step, 3.68851 hours remaining, 203.121094 MB of memory in use. ENERGY: 389800 730.6126 2026.2827 1975.7991 118.0595 -205803.9104 17749.8224 0.0000 0.0000 34248.0327 -148955.3015 299.0966 -183203.3341 -148855.3053 299.2906 43.4119 75.5263 556838.2974 1.1876 1.2838 PRESSURE: 390000 -27.6363 185.51 -29.0593 185.512 -17.9405 101.235 -29.0592 101.235 -84.4736 GPRESSURE: 390000 37.8136 197.74 -63.6709 91.448 -43.1635 98.5404 29.4487 76.0912 -29.7485 PRESSAVG: 390000 32.6076 28.7306 -2.72373 28.7306 -77.0859 39.6231 -2.72369 39.623 27.7721 GPRESSAVG: 390000 33.5434 29.1072 -1.30227 27.6978 -79.7689 36.7587 -2.28291 41.7551 28.8785 TIMING: 390000 CPU: 1133.45, 0.00291304/step Wall: 1133.45, 0.00291304/step, 3.73031 hours remaining, 203.121094 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: 390000 744.4289 2095.2083 1968.7938 118.2546 -205887.5440 17825.2161 0.0000 0.0000 34159.7984 -148975.8438 298.3260 -183135.6422 -148881.9835 299.5827 -43.3501 -11.6994 558732.8353 -5.5687 -5.7823 PRESSURE: 390200 -160.145 -87.1783 -104.884 -87.1789 -148.636 -8.86725 -104.884 -8.8687 69.9963 GPRESSURE: 390200 -116.549 -94.7539 -96.0317 -45.2689 -173.186 -50.2297 -136.524 -16.0981 150.156 PRESSAVG: 390200 29.7234 14.9924 5.2943 14.9925 -61.6886 -42.8719 5.29427 -42.872 6.52541 GPRESSAVG: 390200 29.7167 16.0721 3.96784 12.9471 -60.9336 -41.4787 5.52334 -44.9372 5.44707 TIMING: 390200 CPU: 1134.03, 0.00289756/step Wall: 1134.03, 0.00289756/step, 3.71033 hours remaining, 203.121094 MB of memory in use. ENERGY: 390200 762.5311 2041.6167 1934.7262 114.2598 -205854.1163 17666.5660 0.0000 0.0000 34514.5077 -148819.9088 301.4238 -183334.4165 -148723.8078 299.5225 -79.5950 -46.5265 558014.8623 -8.4799 -8.5900 PRESSURE: 390400 207.836 -26.8054 1.13292 -26.8047 201.573 -46.8223 1.13462 -46.8214 46.9315 GPRESSURE: 390400 196.797 -97.5787 28.7191 48.3434 239.107 16.5393 -8.13921 -135.561 113.753 PRESSAVG: 390400 -18.2357 -38.1968 2.42169 -38.1967 -70.5853 -40.7042 2.42156 -40.7042 89.9 GPRESSAVG: 390400 -18.13 -38.8438 2.25547 -36.7215 -69.4427 -38.6469 2.9393 -40.0069 89.149 TIMING: 390400 CPU: 1134.61, 0.0029027/step Wall: 1134.61, 0.0029027/step, 3.71674 hours remaining, 203.121094 MB of memory in use. ENERGY: 390400 706.8022 2100.6227 1966.9799 113.9375 -206291.3154 18057.4660 0.0000 0.0000 34415.9442 -148929.5629 300.5630 -183345.5071 -148839.2011 300.3080 152.1135 183.2187 556977.7771 0.3597 0.5254 PRESSURE: 390600 -7.15175 164.49 -49.5681 164.489 180.307 2.56719 -49.5689 2.56767 162.285 GPRESSURE: 390600 55.9839 196.129 -9.92468 44.1318 189.704 24.3202 -19.8489 42.8774 196.262 PRESSAVG: 390600 15.069 4.26479 29.86 4.26478 22.9736 -10.4508 29.86 -10.4508 8.78611 GPRESSAVG: 390600 15.2737 2.51881 31.7549 5.33712 22.5148 -11.2066 29.2517 -10.547 9.12978 TIMING: 390600 CPU: 1135.19, 0.0029146/step Wall: 1135.19, 0.0029146/step, 3.73182 hours remaining, 203.121094 MB of memory in use. ENERGY: 390600 786.0574 2007.2542 1955.2936 120.2908 -206268.9871 18010.2221 0.0000 0.0000 34444.0351 -148945.8340 300.8083 -183389.8691 -148850.0823 300.2461 111.8134 147.3167 556147.0039 15.6096 15.6394 PRESSURE: 390800 78.6549 -110.176 70.3868 -110.176 245.308 28.6142 70.3872 28.6154 141.776 GPRESSURE: 390800 129.75 -126.359 147.564 -124.685 283.79 50.2626 -22.2056 17.8965 137.335 PRESSAVG: 390800 -20.7041 -7.00428 1.64177 -7.00427 15.4835 18.4968 1.64172 18.4969 14.7349 GPRESSAVG: 390800 -20.1254 -5.33553 2.23922 -8.68214 15.22 16.3759 -1.30289 20.4633 14.1881 TIMING: 390800 CPU: 1135.77, 0.00289871/step Wall: 1135.77, 0.00289871/step, 3.71132 hours remaining, 203.324219 MB of memory in use. ENERGY: 390800 717.9996 2122.4747 1994.8172 113.6468 -206447.2446 18057.5928 0.0000 0.0000 34437.1467 -149003.5668 300.7482 -183440.7134 -148905.6726 299.7538 155.2464 183.6250 556595.2778 3.1714 3.0942 PRESSURE: 391000 151.931 -8.70287 -72.7966 -8.70147 -22.3889 111.828 -72.7954 111.828 65.5245 GPRESSURE: 391000 134.738 -2.62291 -82.9528 79.7407 34.8254 70.0462 -121.318 120.141 133.869 PRESSAVG: 391000 -12.5697 -0.945807 -40.5579 -0.945857 -33.7545 -13.7249 -40.5578 -13.725 30.454 GPRESSAVG: 391000 -13.623 -0.932429 -41.8394 -0.89778 -33.4685 -12.5007 -37.9812 -14.4457 30.819 TIMING: 391000 CPU: 1136.35, 0.0028889/step Wall: 1136.35, 0.0028889/step, 3.6986 hours remaining, 203.324219 MB of memory in use. ENERGY: 391000 774.9852 2071.0916 1970.3673 115.1904 -206406.7575 18063.6562 0.0000 0.0000 34392.3382 -149019.1285 300.3568 -183411.4667 -148924.9292 299.5787 65.0222 101.1438 557284.9756 -5.2901 -5.4241 PRESSURE: 391200 40.8695 -54.014 154.272 -54.0145 12.9505 -137.525 154.271 -137.526 90.9547 GPRESSURE: 391200 66.5258 -75.5496 103.982 10.071 37.1578 -152.151 157.976 -95.5809 127.642 PRESSAVG: 391200 7.74897 -32.8702 5.9979 -32.8702 -30.3876 -54.9251 5.99785 -54.925 5.82344 GPRESSAVG: 391200 8.94574 -32.1283 3.85748 -33.0729 -30.8762 -55.3921 5.98748 -53.6449 5.4623 TIMING: 391200 CPU: 1136.93, 0.00289333/step Wall: 1136.93, 0.00289333/step, 3.70411 hours remaining, 203.324219 MB of memory in use. ENERGY: 391200 729.1140 2117.9077 1986.4357 102.6009 -206179.7889 17860.7566 0.0000 0.0000 34352.5681 -149030.4059 300.0095 -183382.9740 -148931.7893 299.9154 48.2582 77.1086 557846.5953 -5.6051 -5.4894 PRESSURE: 391400 322.722 -27.5386 -115.368 -27.5384 86.4676 -36.5023 -115.369 -36.5021 4.38449 GPRESSURE: 391400 385.806 -72.122 -142.667 57.233 76.6535 3.97773 -111.653 -38.952 50.2704 PRESSAVG: 391400 -52.6263 -5.41993 19.3152 -5.4199 35.489 32.8129 19.3152 32.8129 65.995 GPRESSAVG: 391400 -52.8517 -6.85751 20.5844 -3.8625 36.3212 32.1427 18.6052 30.3054 64.856 TIMING: 391400 CPU: 1137.51, 0.00289158/step Wall: 1137.51, 0.00289158/step, 3.7017 hours remaining, 203.324219 MB of memory in use. ENERGY: 391400 722.1871 2133.3466 1967.6690 115.4608 -206440.8214 18029.7989 0.0000 0.0000 34239.3043 -149233.0546 299.0204 -183472.3589 -149142.6554 298.7383 137.8580 170.9100 558016.9178 16.2859 16.1085 PRESSURE: 391600 -122.137 -61.7127 -38.228 -61.7122 -229.379 118.548 -38.2272 118.548 92.251 GPRESSURE: 391600 -104.746 48.637 -156.276 -128.903 -169.828 168.189 -74.2394 116.7 112.765 PRESSAVG: 391600 -83.7371 -54.3291 -18.7525 -54.3291 21.5246 35.5605 -18.7524 35.5606 56.8085 GPRESSAVG: 391600 -84.6799 -53.3922 -17.5813 -53.7107 21.9214 38.1483 -18.3283 36.6465 57.6055 TIMING: 391600 CPU: 1138.09, 0.00289218/step Wall: 1138.09, 0.00289218/step, 3.70231 hours remaining, 203.324219 MB of memory in use. ENERGY: 391600 740.9679 2075.2641 1967.8820 124.0852 -205731.9774 17487.3080 0.0000 0.0000 34185.5447 -149150.9254 298.5509 -183336.4701 -149058.3896 299.5800 -86.4215 -53.9363 557654.0080 -1.8013 -1.7177 PRESSURE: 391800 -233.653 -28.1961 51.4362 -28.1961 -87.6702 131.037 51.4354 131.04 -36.7128 GPRESSURE: 391800 -249.814 5.98222 10.5908 -97.3168 -20.8874 121.495 1.8009 104.346 -5.23022 PRESSAVG: 391800 -2.44326 -100.543 -13.467 -100.543 -52.8968 8.51774 -13.467 8.51778 57.1693 GPRESSAVG: 391800 -3.2116 -100.3 -14.2112 -102.981 -52.594 6.41493 -13.6561 7.72597 57.3833 TIMING: 391800 CPU: 1138.67, 0.00290771/step Wall: 1138.67, 0.00290771/step, 3.72202 hours remaining, 203.324219 MB of memory in use. ENERGY: 391800 775.5184 2090.5457 1963.4683 114.0504 -205994.2154 17651.1277 0.0000 0.0000 34279.5520 -149119.9528 299.3719 -183399.5048 -149026.8431 299.0568 -119.3452 -91.9771 558641.7500 0.6098 0.5259 PRESSURE: 392000 -62.7389 -81.4569 -17.8502 -81.4551 -69.3544 26.4899 -17.8502 26.4893 68.3301 GPRESSURE: 392000 -44.3048 -80.5582 -81.3024 -19.6791 -28.3781 -19.1552 21.9961 31.5706 103.425 PRESSAVG: 392000 -50.7318 -15.6097 56.7499 -15.6096 -27.0582 -10.9102 56.75 -10.9104 50.1167 GPRESSAVG: 392000 -48.8984 -17.3171 57.3269 -13.033 -27.4964 -9.40443 57.6728 -11.3179 49.1992 TIMING: 392000 CPU: 1139.25, 0.00289683/step Wall: 1139.25, 0.00289683/step, 3.70794 hours remaining, 203.527344 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: 392000 726.7404 2070.4031 1966.2145 120.6959 -206138.6233 17751.9464 0.0000 0.0000 34458.1933 -149044.4298 300.9320 -183502.6231 -148948.6624 299.3697 -21.2544 10.2475 558168.7104 -9.2244 -9.0652 PRESSURE: 392200 -248.655 24.0962 65.3225 24.096 70.9827 -6.70717 65.3226 -6.70755 121.131 GPRESSURE: 392200 -215.302 22.5089 51.845 -93.3579 86.2007 -137.761 103.611 47.5901 176.781 PRESSAVG: 392200 -24.4837 -3.38345 47.5933 -3.38344 20.3926 -33.5401 47.5933 -33.5402 3.46198 GPRESSAVG: 392200 -24.5674 -4.28808 46.8578 -3.44562 20.3936 -32.2178 47.3753 -32.5632 3.7366 TIMING: 392200 CPU: 1139.83, 0.00288773/step Wall: 1139.83, 0.00288773/step, 3.69614 hours remaining, 203.527344 MB of memory in use. ENERGY: 392200 744.3313 2094.2037 1950.4654 118.1182 -205881.0630 17823.8323 0.0000 0.0000 34143.5536 -149006.5585 298.1841 -183150.1121 -148908.0600 299.3432 -18.8471 15.8929 557670.3923 -0.2097 -0.1458 LDB: ============= START OF LOAD BALANCING ============== 1143.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1143.29 LDB: =============== DONE WITH MIGRATION ================ 1143.29 LDB: ============= START OF LOAD BALANCING ============== 1143.58 LDB: Largest compute 4820 load 0.027666 is 23.5% of average load 0.117550 LDB: Average compute 0.001735 is 1.5% of average load 0.117550 LDB: TIME 1143.58 LOAD: AVG 0.11755 MAX 0.176807 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.055 MB LDB: TIME 1143.58 LOAD: AVG 0.11755 MAX 0.176807 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.055 MB LDB: TIME 1143.58 LOAD: AVG 0.11755 MAX 0.176807 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1143.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1143.59 PRESSURE: 392400 -132.791 -44.3609 -40.9134 -44.3593 -118.834 115.804 -40.9137 115.805 18.0186 GPRESSURE: 392400 -58.3502 -133.264 71.7164 103.337 -97.9198 163.957 -129.612 59.6551 15.8407 PRESSAVG: 392400 4.74592 -5.80744 53.3654 -5.80744 -54.6984 -25.0586 53.3654 -25.0587 21.7841 GPRESSAVG: 392400 3.98128 -4.76308 53.7843 -6.39939 -55.4955 -28.7863 52.5063 -24.254 22.7717 TIMING: 392400 CPU: 1140.41, 0.00294415/step Wall: 1140.41, 0.00294415/step, 3.76819 hours remaining, 202.226562 MB of memory in use. ENERGY: 392400 802.0653 2040.4241 1969.7005 128.8448 -206185.9273 17820.3604 0.0000 0.0000 34301.1090 -149123.4231 299.5601 -183424.5321 -149030.1666 299.2075 -77.8689 -46.8098 557604.3327 -9.3895 -9.5808 PRESSURE: 392600 -1.1105 -94.7679 91.3319 -94.7674 -98.2021 -35.4248 91.3304 -35.425 351.701 GPRESSURE: 392600 25.863 0.0685183 55.1933 -29.1028 -37.5393 10.0909 88.8227 -162.004 360.567 PRESSAVG: 392600 -10.2303 -29.5091 48.2378 -29.5091 56.2491 -5.36468 48.2378 -5.36483 -8.98756 GPRESSAVG: 392600 -11.088 -26.5898 49.3736 -31.1758 56.4865 -1.99707 47.1804 -6.11342 -8.56754 TIMING: 392600 CPU: 1140.99, 0.00286624/step Wall: 1140.99, 0.00286624/step, 3.66831 hours remaining, 202.226562 MB of memory in use. ENERGY: 392600 778.0454 2049.3377 1956.3234 105.2175 -206264.2278 18102.3748 0.0000 0.0000 34222.1843 -149050.7447 298.8708 -183272.9290 -148953.8515 299.9076 84.1294 116.2969 557159.4011 12.3438 12.2770 PRESSURE: 392800 -88.0357 33.5992 -168.42 33.5985 -363.829 -80.0732 -168.419 -80.0729 85.8289 GPRESSURE: 392800 -88.5705 77.7119 -241.935 107.754 -315.416 -95.1105 -88.2465 -84.297 139.598 PRESSAVG: 392800 -5.4149 24.5364 3.22119 24.5364 -61.8977 -45.4176 3.22122 -45.4175 98.3971 GPRESSAVG: 392800 -5.18529 22.9104 2.0801 25.7568 -62.9796 -46.0144 5.37594 -46.1232 98.6874 TIMING: 392800 CPU: 1141.57, 0.00288781/step Wall: 1141.57, 0.00288781/step, 3.69576 hours remaining, 202.371094 MB of memory in use. ENERGY: 392800 759.0184 2117.2389 1963.9185 117.3785 -205744.6627 17541.3921 0.0000 0.0000 34268.9530 -148976.7632 299.2793 -183245.7162 -148878.5170 300.7903 -122.0119 -88.1295 558095.0739 10.3615 10.1742 PRESSURE: 393000 94.9149 68.4586 109.445 68.4592 26.698 -65.288 109.445 -65.289 -63.7301 GPRESSURE: 393000 105.713 100.439 95.6934 -80.8505 54.2184 101.626 159.607 -67.7927 -3.27901 PRESSAVG: 393000 22.8244 18.9619 10.6118 18.9619 -12.5032 -14.9539 10.6118 -14.9539 -22.3013 GPRESSAVG: 393000 23.0208 18.3435 12.0181 18.0468 -12.2392 -15.5697 8.74573 -14.2627 -22.7358 TIMING: 393000 CPU: 1142.14, 0.00288929/step Wall: 1142.14, 0.00288929/step, 3.69749 hours remaining, 202.429688 MB of memory in use. ENERGY: 393000 763.4589 2057.1341 1983.1010 108.1805 -206095.1107 17805.2081 0.0000 0.0000 34321.4004 -149056.6276 299.7373 -183378.0280 -148956.7749 299.7564 19.2943 52.2174 557578.1630 -3.9934 -3.9847 PRESSURE: 393200 -46.108 -50.0837 -0.629439 -50.0845 -67.6743 -44.8489 -0.628337 -44.8495 -110.892 GPRESSURE: 393200 25.1973 -93.642 -33.8163 -74.7093 -78.4637 -121.675 52.7904 102.326 -76.0254 PRESSAVG: 393200 16.6708 73.2049 32.249 73.2049 14.8718 -17.5391 32.2491 -17.5392 -25.4798 GPRESSAVG: 393200 16.4322 72.5703 31.1171 72.6393 15.1961 -18.7554 31.7128 -17.3174 -25.5105 TIMING: 393200 CPU: 1142.72, 0.00289231/step Wall: 1142.72, 0.00289231/step, 3.70119 hours remaining, 202.429688 MB of memory in use. ENERGY: 393200 742.8797 2069.3302 1990.4273 101.5331 -205972.6892 17683.6484 0.0000 0.0000 34410.8843 -148973.9862 300.5188 -183384.8705 -148878.2028 300.3293 -74.8914 -43.0972 556296.1081 2.0209 2.0393 PRESSURE: 393400 -216.297 -4.63572 163.017 -4.63512 -87.5946 -92.8566 163.017 -92.8556 -86.5724 GPRESSURE: 393400 -126.756 -20.5441 157.247 -56.8613 -116.02 -195.919 196.551 -22.966 -48.2443 PRESSAVG: 393400 28.5044 -11.3592 59.5442 -11.3592 -9.45918 -17.4914 59.5442 -17.4914 -14.6682 GPRESSAVG: 393400 28.6019 -12.615 60.1541 -9.81485 -9.37885 -17.5165 60.47 -18.5344 -15.0492 TIMING: 393400 CPU: 1143.3, 0.00290361/step Wall: 1143.3, 0.00290361/step, 3.7155 hours remaining, 202.429688 MB of memory in use. ENERGY: 393400 742.1269 2041.1087 1935.8839 117.3208 -205798.3101 17541.2994 0.0000 0.0000 34430.8462 -148989.7243 300.6931 -183420.5705 -148887.1282 300.2514 -130.1547 -97.0068 556408.0278 1.4590 1.3913 PRESSURE: 393600 113.563 -115.264 63.269 -115.264 56.14 94.9994 63.2699 95.0002 71.8991 GPRESSURE: 393600 224.438 -197.756 102.4 -28.7664 63.4502 143.75 81.671 143.633 64.555 PRESSAVG: 393600 11.7957 -0.0151628 101.752 -0.0152443 -15.2031 -20.2229 101.752 -20.2228 -35.2489 GPRESSAVG: 393600 12.083 2.00676 99.9879 0.137684 -15.9023 -19.3453 103.21 -19.7838 -35.0487 TIMING: 393600 CPU: 1143.88, 0.00289271/step Wall: 1143.88, 0.00289271/step, 3.70138 hours remaining, 202.429688 MB of memory in use. ENERGY: 393600 740.5097 2066.4115 1962.1328 126.1061 -206308.0820 17988.3708 0.0000 0.0000 34418.9555 -149005.5956 300.5893 -183424.5511 -148914.6300 299.7050 80.5339 117.4809 556950.4860 -12.8855 -12.9560 PRESSURE: 393800 3.36737 12.8493 65.4996 12.8486 64.6609 44.8958 65.4986 44.8971 -178.34 GPRESSURE: 393800 5.05501 56.537 60.7866 93.6164 101.304 49.3372 69.9988 74.1916 -122.54 PRESSAVG: 393800 -21.6056 20.5648 47.962 20.5647 55.9653 19.5908 47.9619 19.5909 -37.487 GPRESSAVG: 393800 -22.3664 21.5492 49.5798 18.4646 56.0675 20.5114 47.9316 20.2878 -37.1781 TIMING: 393800 CPU: 1144.46, 0.00288714/step Wall: 1144.46, 0.00288714/step, 3.6941 hours remaining, 202.429688 MB of memory in use. ENERGY: 393800 728.7138 2108.4145 1944.5791 114.9064 -205723.3586 17761.3136 0.0000 0.0000 34147.9499 -148917.4811 298.2225 -183065.4311 -148822.9421 299.3813 -36.7706 -5.3938 558929.5411 -1.0424 -1.1590 PRESSURE: 394000 54.8327 -9.58436 46.1855 -9.58575 92.5402 -74.1992 46.1858 -74.1996 255.95 GPRESSURE: 394000 171.676 38.9143 55.8218 -6.46691 96.2753 -85.6303 -64.8264 -20.3425 227.893 PRESSAVG: 394000 -34.2768 3.9473 14.548 3.94731 86.0248 8.64801 14.548 8.64788 -34.9972 GPRESSAVG: 394000 -35.4985 2.49268 12.8842 4.99021 87.5781 10.5066 13.1979 7.07146 -35.8578 TIMING: 394000 CPU: 1145.04, 0.00290587/step Wall: 1145.04, 0.00290587/step, 3.7179 hours remaining, 202.429688 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: 394000 698.0426 2070.2157 1976.5382 122.3379 -206408.3697 18047.9481 0.0000 0.0000 34276.2456 -149217.0415 299.3430 -183493.2872 -149115.8047 299.6206 134.4411 165.2815 556924.1017 5.5836 5.4072 PRESSURE: 394200 277.155 18.9308 41.8406 18.9324 69.0414 113.055 41.839 113.056 54.3586 GPRESSURE: 394200 310.99 32.3941 -2.4545 -22.1621 112.264 99.032 109.198 113.791 87.6716 PRESSAVG: 394200 -9.91167 13.5552 52.8086 13.5551 5.49494 53.3677 52.8086 53.3676 -3.62364 GPRESSAVG: 394200 -8.79219 12.5501 53.6752 14.3737 3.90273 51.9992 53.061 53.0179 -3.58386 TIMING: 394200 CPU: 1145.62, 0.00291412/step Wall: 1145.62, 0.00291412/step, 3.72829 hours remaining, 202.429688 MB of memory in use. ENERGY: 394200 725.0441 2069.9993 1979.9384 99.3537 -206390.3745 18001.5155 0.0000 0.0000 34341.9758 -149172.5476 299.9170 -183514.5234 -149071.7745 299.4343 133.5183 170.3086 556393.8573 -2.6801 -2.8244 PRESSURE: 394400 -106.313 108.567 -176.116 108.568 -149.517 -17.2117 -176.117 -17.2114 -39.7219 GPRESSURE: 394400 -99.1924 77.4329 -35.5366 164.31 -135.467 2.13617 -187.243 -85.223 52.1157 PRESSAVG: 394400 -26.1157 -20.2959 -36.0676 -20.2959 -8.17678 33.2714 -36.0675 33.2714 27.378 GPRESSAVG: 394400 -27.4838 -18.5867 -34.6523 -20.9564 -8.11193 32.3425 -35.5201 35.1365 28.3491 TIMING: 394400 CPU: 1146.2, 0.00288209/step Wall: 1146.2, 0.00288209/step, 3.68715 hours remaining, 202.429688 MB of memory in use. ENERGY: 394400 757.5330 2053.3712 1984.6302 121.8048 -205831.6334 17563.1543 0.0000 0.0000 34142.2397 -149208.9003 298.1727 -183351.1400 -149106.7348 299.1390 -98.5173 -60.8478 556762.9723 -2.3048 -2.4155 PRESSURE: 394600 95.4373 63.8533 -16.4405 63.8527 -88.7739 -132.255 -16.4397 -132.256 -144.691 GPRESSURE: 394600 118.859 33.857 -45.7429 117.005 -42.492 -149.511 24.9373 -121.164 -111.338 PRESSAVG: 394600 62.1132 5.03603 -17.5781 5.03609 16.9525 -11.4711 -17.5781 -11.4711 -57.479 GPRESSAVG: 394600 63.8771 4.1921 -20.2271 6.49457 16.8069 -11.5579 -16.7513 -11.7353 -59.0145 TIMING: 394600 CPU: 1146.78, 0.00289375/step Wall: 1146.78, 0.00289375/step, 3.70191 hours remaining, 202.429688 MB of memory in use. ENERGY: 394600 791.4730 2078.6895 1944.8578 101.7934 -206055.9649 17756.8526 0.0000 0.0000 34059.4196 -149322.8790 297.4494 -183382.2986 -149225.3007 298.9430 -46.0094 -11.6572 557037.1624 7.1956 7.2232 PRESSURE: 394800 128.428 -164.008 -106.116 -164.007 -109.7 84.1878 -106.116 84.187 -123.652 GPRESSURE: 394800 195.503 -112.343 -102.322 -238.454 -71.2147 84.4111 -43.2937 106.318 -140.065 PRESSAVG: 394800 70.8305 0.285312 -0.0964396 0.28533 -3.97525 9.14142 -0.0964112 9.14135 -54.2425 GPRESSAVG: 394800 70.3559 1.09963 2.14022 -0.139667 -4.25992 8.56282 -1.41945 9.81746 -53.2781 TIMING: 394800 CPU: 1147.35, 0.00288581/step Wall: 1147.35, 0.00288581/step, 3.69159 hours remaining, 202.429688 MB of memory in use. ENERGY: 394800 772.1447 2086.2359 1959.4895 121.5367 -206521.9447 18053.8725 0.0000 0.0000 34329.5136 -149199.1517 299.8082 -183528.6653 -149102.0267 298.6698 -34.9745 -5.2589 558819.9864 4.2042 4.2726 PRESSURE: 395000 -81.167 -103.323 98.6818 -103.323 15.8156 -102.014 98.6823 -102.014 -180.756 GPRESSURE: 395000 -35.6704 -79.9691 196.444 -151.272 7.32033 -110.944 -2.8614 -194.581 -120.052 PRESSAVG: 395000 64.0717 -37.6832 59.4909 -37.6832 30.6046 17.0654 59.4909 17.0653 -85.617 GPRESSAVG: 395000 63.9167 -36.0433 60.0361 -41.3525 31.4588 19.1211 58.713 13.9108 -86.3418 TIMING: 395000 CPU: 1147.93, 0.00287854/step Wall: 1147.93, 0.00287854/step, 3.68213 hours remaining, 202.429688 MB of memory in use. ENERGY: 395000 738.8083 2055.7539 1964.2634 110.4517 -206218.1835 17696.0726 0.0000 0.0000 34429.2547 -149223.5788 300.6792 -183652.8335 -149124.2316 300.1012 -82.0357 -49.4672 557063.3402 3.0197 3.0112 PRESSURE: 395200 56.8138 -100.328 206.127 -100.329 -122.304 12.1049 206.127 12.1051 -253.17 GPRESSURE: 395200 100.661 -52.79 210.621 -66.2948 -128.045 61.7904 192.527 25.0696 -194.36 PRESSAVG: 395200 36.3617 21.3334 47.3136 21.3334 -13.4389 44.4507 47.3135 44.4507 -52.7171 GPRESSAVG: 395200 34.4445 19.3975 47.8178 24.4261 -12.5509 44.3232 48.2094 46.0339 -51.8796 TIMING: 395200 CPU: 1148.51, 0.00290302/step Wall: 1148.51, 0.00290302/step, 3.71328 hours remaining, 202.429688 MB of memory in use. ENERGY: 395200 746.2126 2111.7945 1986.1229 111.1197 -206080.9069 17698.3692 0.0000 0.0000 34152.6808 -149274.6071 298.2639 -183427.2879 -149176.7272 299.4691 -106.2200 -73.9147 557079.6775 -9.9315 -9.9953 PRESSURE: 395400 149.831 79.5008 141.745 79.4998 -159.736 216.407 141.744 216.408 -48.5251 GPRESSURE: 395400 162.845 52.5894 56.0469 159.093 -103.362 304.896 169.594 168.951 -26.5854 PRESSAVG: 395400 20.808 -4.43134 30.5832 -4.4314 -9.0585 77.0622 30.5831 77.062 10.7138 GPRESSAVG: 395400 23.2672 -2.55062 28.954 -4.87215 -10.5825 75.6269 30.6441 77.4622 10.374 TIMING: 395400 CPU: 1149.09, 0.00290238/step Wall: 1149.09, 0.00290238/step, 3.71231 hours remaining, 202.429688 MB of memory in use. ENERGY: 395400 773.9052 2088.2511 1970.3613 98.1775 -206104.8812 17617.8648 0.0000 0.0000 34297.4037 -149258.9175 299.5278 -183556.3213 -149164.7994 299.4016 -19.4770 10.9661 556865.9039 7.4878 7.6862 PRESSURE: 395600 -217.008 -171.115 35.5255 -171.115 -93.7125 212.385 35.5252 212.385 -13.6987 GPRESSURE: 395600 -230.601 -176.93 -0.552383 -124.925 -49.0662 287.893 74.8119 128.49 56.0189 PRESSAVG: 395600 26.2617 -15.5231 -6.04816 -15.5232 -35.3841 71.116 -6.04813 71.116 4.45074 GPRESSAVG: 395600 27.1491 -17.8109 -5.61115 -13.7162 -34.2183 71.1021 -7.48904 71.2846 2.55489 TIMING: 395600 CPU: 1149.67, 0.00289847/step Wall: 1149.67, 0.00289847/step, 3.70715 hours remaining, 202.429688 MB of memory in use. ENERGY: 395600 761.7361 2071.7544 2022.5252 122.9858 -205977.5134 17632.1848 0.0000 0.0000 34046.4551 -149319.8721 297.3362 -183366.3271 -149230.1914 298.6721 -108.1397 -74.5495 557056.7846 -1.5572 -1.5048 PRESSURE: 395800 -12.9878 146.103 -95.8049 146.103 -160.616 -126.423 -95.8056 -126.424 -74.8653 GPRESSURE: 395800 19.8687 214.18 -13.8915 102.321 -88.1908 -102.289 -67.2175 -146.062 -73.0505 PRESSAVG: 395800 -16.153 -15.7896 40.8014 -15.7896 29.9268 35.279 40.8015 35.2789 -58.8583 GPRESSAVG: 395800 -18.2972 -14.7333 42.021 -17.5036 30.7157 33.3835 41.6451 35.1285 -57.7159 TIMING: 395800 CPU: 1150.25, 0.00289378/step Wall: 1150.25, 0.00289378/step, 3.70098 hours remaining, 202.429688 MB of memory in use. ENERGY: 395800 754.3099 2123.1085 1969.8871 119.5060 -206540.8193 18030.4731 0.0000 0.0000 34187.4382 -149356.0965 298.5674 -183543.5347 -149257.1328 299.6264 -82.8229 -47.1242 557545.0164 -15.0282 -15.0991 PRESSURE: 396000 -139.602 -53.9768 81.7375 -53.976 -221.98 -26.74 81.7384 -26.7413 63.1212 GPRESSURE: 396000 -105.015 -12.9114 112.423 -55.1938 -159.646 25.8291 56.2257 -59.1259 56.5043 PRESSAVG: 396000 -16.2796 39.1844 0.647464 39.1845 3.16616 31.084 0.647379 31.084 -39.3528 GPRESSAVG: 396000 -16.1769 39.5961 0.120833 38.6051 2.25074 32.0435 1.91629 30.1436 -38.7401 TIMING: 396000 CPU: 1150.83, 0.00288598/step Wall: 1150.83, 0.00288598/step, 3.69085 hours remaining, 202.429688 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: 396000 719.6878 2098.8481 1987.0728 119.1670 -206271.2273 17703.7977 0.0000 0.0000 34307.4286 -149335.2254 299.6153 -183642.6540 -149243.9653 298.5824 -99.4871 -69.3855 557647.5763 -17.4887 -17.5554 PRESSURE: 396200 56.9606 26.2045 -158.481 26.2035 124.814 -23.8639 -158.481 -23.8627 204.474 GPRESSURE: 396200 159.653 8.39552 -219.091 -22.4952 142.536 -10.5709 -214.116 -148.752 177.515 PRESSAVG: 396200 25.0086 -17.1428 5.60144 -17.1428 32.5926 -21.6731 5.60137 -21.6732 -23.1729 GPRESSAVG: 396200 25.6493 -17.6041 6.10394 -17.0629 32.8469 -19.9725 3.87754 -21.1013 -24.0311 TIMING: 396200 CPU: 1151.41, 0.0029056/step Wall: 1151.41, 0.0029056/step, 3.71578 hours remaining, 202.429688 MB of memory in use. ENERGY: 396200 735.9014 2097.2234 1975.9532 93.8402 -206618.4692 17885.1236 0.0000 0.0000 34367.7884 -149462.6391 300.1424 -183830.4274 -149363.8020 299.4231 128.7495 159.9011 555832.4599 11.4761 11.4884 LDB: ============= START OF LOAD BALANCING ============== 1154.88 LDB: ============== END OF LOAD BALANCING =============== 1154.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1154.88 LDB: ============= START OF LOAD BALANCING ============== 1155.17 LDB: Largest compute 4820 load 0.026921 is 22.9% of average load 0.117610 LDB: Average compute 0.001737 is 1.5% of average load 0.117610 LDB: TIME 1155.17 LOAD: AVG 0.11761 MAX 0.176837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.254 MB LDB: TIME 1155.17 LOAD: AVG 0.11761 MAX 0.176837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.461 MB LDB: TIME 1155.17 LOAD: AVG 0.11761 MAX 0.176837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1155.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1155.18 PRESSURE: 396400 74.8456 10.9522 -15.9609 10.953 141.144 37.3722 -15.9597 37.3704 10.9436 GPRESSURE: 396400 113.274 32.8527 -47.674 34.2599 111.188 2.43293 -25.6067 91.2739 90.1901 PRESSAVG: 396400 -13.0705 4.85142 -22.616 4.8515 26.2439 -3.66932 -22.6159 -3.66934 16.1332 GPRESSAVG: 396400 -12.9093 5.99374 -23.5253 6.13548 24.6121 -3.52433 -20.5798 -3.72901 17.3465 TIMING: 396400 CPU: 1152, 0.00296056/step Wall: 1152, 0.00296056/step, 3.7859 hours remaining, 206.527344 MB of memory in use. ENERGY: 396400 702.6598 2041.7250 1992.1119 99.0873 -206774.0826 18139.7910 0.0000 0.0000 34174.2428 -149624.4647 298.4522 -183798.7075 -149524.8011 299.3398 75.6446 104.8837 556414.1664 9.7689 9.6831 PRESSURE: 396600 -187.654 -29.8286 0.366298 -29.8281 -153.861 -128.353 0.367497 -128.355 77.1707 GPRESSURE: 396600 -155.282 -49.3609 15.7716 -50.2234 -120.172 -146.374 -29.7787 -122.467 101.844 PRESSAVG: 396600 -5.27883 -24.7183 -11.971 -24.7182 26.8794 18.1403 -11.971 18.1404 29.7843 GPRESSAVG: 396600 -5.63738 -26.0924 -11.3057 -23.8072 26.2948 17.0692 -13.1082 20.4864 31.1904 TIMING: 396600 CPU: 1152.58, 0.00290097/step Wall: 1152.58, 0.00290097/step, 3.70954 hours remaining, 206.671875 MB of memory in use. ENERGY: 396600 774.1857 2056.0489 1966.3335 118.6973 -206609.6305 17997.6488 0.0000 0.0000 34154.9440 -149541.7723 298.2836 -183696.7163 -149453.0836 298.1717 -88.1148 -57.8701 559039.2055 17.1283 17.2826 PRESSURE: 396800 -135.024 -75.1492 -86.8677 -75.1484 -202.69 -182.404 -86.8688 -182.403 15.6265 GPRESSURE: 396800 -109.494 -169.831 -199.507 30.8943 -177.955 -207.215 -29.1801 -135.687 59.0932 PRESSAVG: 396800 52.7628 -28.0825 55.8053 -28.0826 -14.6447 7.5056 55.8053 7.50555 -6.75094 GPRESSAVG: 396800 52.3385 -27.7377 56.5826 -28.6592 -13.5225 7.96588 54.696 5.29235 -7.66953 TIMING: 396800 CPU: 1153.16, 0.00289452/step Wall: 1153.16, 0.00289452/step, 3.70112 hours remaining, 206.671875 MB of memory in use. ENERGY: 396800 713.3972 2102.2580 1976.0186 116.1634 -206363.2347 17698.0198 0.0000 0.0000 34045.5387 -149711.8390 297.3282 -183757.3777 -149616.3181 298.6385 -107.3625 -76.1187 557255.8896 10.4557 10.3821 PRESSURE: 397000 -318.512 73.4992 -87.7906 73.4981 -83.2508 -104.109 -87.79 -104.109 123.73 GPRESSURE: 397000 -294.175 66.3104 -151.189 74.7543 -26.6739 -58.1089 -70.8648 -189.922 152.274 PRESSAVG: 397000 -43.0719 20.9393 -57.9068 20.9393 24.0769 -45.7662 -57.9068 -45.766 23.278 GPRESSAVG: 397000 -41.2837 19.1202 -59.8535 22.0059 23.4363 -45.6693 -55.628 -45.058 21.9698 TIMING: 397000 CPU: 1153.74, 0.00289766/step Wall: 1153.74, 0.00289766/step, 3.70498 hours remaining, 206.671875 MB of memory in use. ENERGY: 397000 734.8551 2142.6345 1967.6215 101.1781 -206499.8097 17697.6978 0.0000 0.0000 34152.3368 -149703.4859 298.2609 -183855.8227 -149603.7307 298.2092 -92.6778 -56.1916 557267.8597 1.4277 1.3741 PRESSURE: 397200 164.116 39.2383 10.416 39.239 93.1564 3.21499 10.4168 3.21561 -178.421 GPRESSURE: 397200 216.183 181.546 -23.4667 -27.652 138.705 -83.4726 40.8663 73.3143 -181.607 PRESSAVG: 397200 19.2098 26.4901 -37.7357 26.4901 -53.7215 -77.4779 -37.7357 -77.4778 32.8311 GPRESSAVG: 397200 19.1272 28.4862 -38.0665 26.1257 -54.3005 -76.6765 -38.0447 -77.9065 33.2244 TIMING: 397200 CPU: 1154.32, 0.00288315/step Wall: 1154.32, 0.00288315/step, 3.68627 hours remaining, 206.671875 MB of memory in use. ENERGY: 397200 755.6178 2113.5312 1985.6516 115.1611 -206619.5764 17982.3519 0.0000 0.0000 34089.4975 -149577.7654 297.7121 -183667.2629 -149475.0689 297.9542 26.2839 57.7602 556612.5341 -0.5602 -0.6496 PRESSURE: 397400 -220.851 99.5908 36.9821 99.5914 -1.58273 -16.8532 36.9813 -16.8522 -509.387 GPRESSURE: 397400 -202.211 157.975 0.662067 97.9669 23.6247 42.1911 50.7041 -94.3126 -455.601 PRESSAVG: 397400 7.63221 8.37795 -21.1723 8.378 -11.8844 28.6047 -21.1723 28.6047 26.5161 GPRESSAVG: 397400 4.80533 8.10295 -19.271 6.88614 -9.42109 27.6472 -21.866 29.0602 27.3844 TIMING: 397400 CPU: 1154.9, 0.00291568/step Wall: 1154.9, 0.00291568/step, 3.7277 hours remaining, 206.875000 MB of memory in use. ENERGY: 397400 749.5049 2082.9348 1961.1891 108.4209 -205978.3596 17458.9473 0.0000 0.0000 34076.8234 -149540.5392 297.6014 -183617.3626 -149451.7317 298.2882 -243.9402 -211.3958 557421.1884 7.4213 7.5896 PRESSURE: 397600 -155.38 19.2402 43.2078 19.2416 -174.149 -134.292 43.2069 -134.29 -244.431 GPRESSURE: 397600 -188.86 27.9309 11.4478 4.13403 -107.049 -131.444 10.5912 -153.323 -180.49 PRESSAVG: 397600 21.1965 23.521 22.0486 23.521 31.8215 -35.5753 22.0485 -35.5754 -51.1045 GPRESSAVG: 397600 21.2755 23.1885 19.8078 24.4277 32.1496 -34.2773 21.3602 -36.6271 -52.0156 TIMING: 397600 CPU: 1155.48, 0.00290842/step Wall: 1155.48, 0.00290841/step, 3.71825 hours remaining, 206.875000 MB of memory in use. ENERGY: 397600 753.3535 2046.5994 1987.6601 116.5809 -205869.9236 17609.8605 0.0000 0.0000 33747.3697 -149608.4996 294.7242 -183355.8693 -149518.8531 296.9313 -191.3199 -158.7998 558097.2091 0.6379 0.4698 PRESSURE: 397800 -72.1244 55.5392 -159.185 55.5397 31.3785 117.835 -159.186 117.834 -195.133 GPRESSURE: 397800 -11.8276 11.0221 -82.549 97.7863 51.9428 78.4386 -194.015 99.825 -184.656 PRESSAVG: 397800 -4.05527 59.1741 4.89757 59.1741 44.1028 -28.8659 4.8976 -28.8659 -24.7878 GPRESSAVG: 397800 -3.03954 58.6417 9.15554 58.4944 42.1737 -30.3656 4.14243 -28.2396 -23.7022 TIMING: 397800 CPU: 1156.06, 0.00289926/step Wall: 1156.06, 0.00289926/step, 3.70639 hours remaining, 206.875000 MB of memory in use. ENERGY: 397800 746.7488 2118.7816 1988.5201 128.2000 -206395.1711 17849.5408 0.0000 0.0000 34077.5057 -149485.8741 297.6073 -183563.3798 -149391.4874 298.0656 -78.6264 -48.1802 558941.7501 5.0866 5.1440 PRESSURE: 398000 179.899 32.6975 -48.4629 32.6969 -68.0338 -100.153 -48.4646 -100.154 -76.1794 GPRESSURE: 398000 168.328 24.3198 -71.8021 0.20454 -36.7127 -105.968 -36.5423 -104.439 -5.62481 PRESSAVG: 398000 -8.04186 62.1244 -36.1277 62.1244 24.7229 -32.8486 -36.1277 -32.8486 9.08517 GPRESSAVG: 398000 -7.03066 63.4101 -39.5559 62.6776 24.8821 -33.1629 -35.2137 -33.0035 8.07884 TIMING: 398000 CPU: 1156.64, 0.00289981/step Wall: 1156.64, 0.00289981/step, 3.70693 hours remaining, 206.875000 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: 398000 760.5626 2082.0732 1985.9934 124.7314 -206098.6276 17842.9366 0.0000 0.0000 33876.4865 -149425.8438 295.8518 -183302.3303 -149335.6846 298.0386 11.8953 41.9968 558184.8110 8.5887 8.6434 PRESSURE: 398200 -5.91533 206.682 53.0078 206.681 6.57749 74.735 53.0087 74.7351 -72.1593 GPRESSURE: 398200 29.9973 205.467 65.3111 146.548 1.90534 -14.5602 -9.70536 98.3815 -1.09521 PRESSAVG: 398200 -24.004 25.0508 -1.34469 25.0508 -15.5914 -12.4363 -1.34476 -12.4363 16.4505 GPRESSAVG: 398200 -24.7266 24.1659 -0.517565 24.0207 -16.0847 -10.6342 -0.803614 -13.5507 17.9884 TIMING: 398200 CPU: 1157.22, 0.00292056/step Wall: 1157.22, 0.00292056/step, 3.73329 hours remaining, 206.875000 MB of memory in use. ENERGY: 398200 732.4857 2102.9068 1997.5728 115.7107 -206231.4501 17634.7815 0.0000 0.0000 34127.3687 -149520.6239 298.0428 -183647.9926 -149424.1797 298.3846 -23.8324 10.2691 556363.5604 -7.7150 -7.6076 PRESSURE: 398400 -254.177 -56.9353 -46.7565 -56.9345 -128.888 -45.3658 -46.7562 -45.3672 -175.159 GPRESSURE: 398400 -231.781 -58.3255 -51.5472 -23.9966 -92.7488 -32.7825 20.8845 -68.3056 -128.906 PRESSAVG: 398400 14.2408 51.4796 6.80771 51.4796 38.0384 -6.82068 6.80774 -6.82061 -32.7279 GPRESSAVG: 398400 13.5189 51.3778 7.53172 51.6734 39.0958 -7.4954 8.21921 -6.27557 -33.8216 TIMING: 398400 CPU: 1157.81, 0.00291827/step Wall: 1157.81, 0.00291827/step, 3.7302 hours remaining, 206.875000 MB of memory in use. ENERGY: 398400 739.9947 2134.8799 1962.9715 121.6095 -206265.0717 17629.3463 0.0000 0.0000 34304.6027 -149371.6670 299.5906 -183676.2698 -149278.1731 298.8781 -186.0748 -151.1456 558149.8478 6.5171 6.2643 PRESSURE: 398600 -151.606 -93.5012 -19.3684 -93.5014 77.4213 -95.2053 -19.3696 -95.2061 46.7242 GPRESSURE: 398600 -134.5 -84.7493 34.1511 -51.402 144.487 63.5749 12.3389 -140.776 50.9766 PRESSAVG: 398600 23.0792 -18.3158 50.4514 -18.3159 34.1046 7.56972 50.4515 7.56978 -29.8166 GPRESSAVG: 398600 22.8878 -17.2555 51.5448 -19.4583 33.9212 6.7226 48.4056 8.7056 -29.6236 TIMING: 398600 CPU: 1158.39, 0.00290108/step Wall: 1158.39, 0.00290108/step, 3.70807 hours remaining, 206.875000 MB of memory in use. ENERGY: 398600 701.1088 2149.0813 2010.6751 112.8708 -206221.5175 17744.1107 0.0000 0.0000 33946.7911 -149556.8798 296.4658 -183503.6708 -149469.0498 298.4495 -9.1535 20.3214 556759.6945 9.1224 9.0618 PRESSURE: 398800 195.257 -8.27747 -72.5807 -8.2771 70.8071 -95.6099 -72.5804 -95.6113 -117.361 GPRESSURE: 398800 191.738 11.9424 -161.619 -85.1489 81.7882 8.56657 -130.383 -109.482 -22.507 PRESSAVG: 398800 -8.16559 -13.6951 -2.23264 -13.6951 45.6208 -49.5894 -2.23266 -49.5895 -14.1498 GPRESSAVG: 398800 -7.13473 -15.816 -3.72254 -10.6162 46.1348 -48.9904 -1.865 -51.8438 -15.4468 TIMING: 398800 CPU: 1158.97, 0.00289357/step Wall: 1158.97, 0.00289357/step, 3.69831 hours remaining, 206.875000 MB of memory in use. ENERGY: 398800 778.5202 2041.4290 1979.2338 109.9989 -206549.4424 17984.4908 0.0000 0.0000 34336.6721 -149319.0974 299.8707 -183655.7695 -149214.3284 298.0551 49.5678 83.6731 556338.8445 7.7685 7.8511 PRESSURE: 399000 196.489 -16.3287 -59.7401 -16.3296 35.1708 210.726 -59.739 210.725 16.0352 GPRESSURE: 399000 231.103 71.0106 -112.685 6.76775 44.1682 164.947 -11.458 186.053 62.3692 PRESSAVG: 399000 -5.32661 -39.46 -30.4799 -39.4599 -21.1894 -45.8886 -30.4799 -45.8886 45.6539 GPRESSAVG: 399000 -6.26344 -39.1083 -31.2659 -37.8709 -20.945 -45.1887 -29.017 -44.2541 46.3235 TIMING: 399000 CPU: 1159.55, 0.00290005/step Wall: 1159.55, 0.00290005/step, 3.70642 hours remaining, 206.875000 MB of memory in use. ENERGY: 399000 719.4854 2083.0294 1941.9045 115.7265 -206132.7723 17779.5323 0.0000 0.0000 34110.2282 -149382.8661 297.8931 -183493.0943 -149290.2416 298.4490 82.5651 112.5469 556464.3060 6.3793 6.3717 PRESSURE: 399200 72.2362 -33.7685 -79.595 -33.7693 -121.647 -2.29748 -79.595 -2.29829 123.883 GPRESSURE: 399200 88.2844 -54.1442 -176.665 26.1925 -92.4306 -87.022 -50.276 67.3976 163.493 PRESSAVG: 399200 20.0158 -42.8127 -62.7704 -42.8128 -29.6548 -0.908918 -62.7704 -0.908907 -7.40145 GPRESSAVG: 399200 19.5534 -42.0467 -62.7338 -45.9407 -30.2938 -0.333038 -63.1628 -1.61248 -7.00957 TIMING: 399200 CPU: 1160.13, 0.00291668/step Wall: 1160.13, 0.00291668/step, 3.72751 hours remaining, 206.875000 MB of memory in use. ENERGY: 399200 709.8553 2120.6474 1975.4817 108.6979 -206029.5599 17760.6900 0.0000 0.0000 34115.3592 -149238.8283 297.9379 -183354.1876 -149148.5612 299.1654 24.8242 53.1157 557888.5283 -5.6802 -5.9167 PRESSURE: 399400 56.6548 14.2028 -43.0175 14.2034 138.04 103.394 -43.0165 103.393 151.23 GPRESSURE: 399400 118.266 44.0209 -6.93938 7.22612 139.934 169.519 -26.4203 86.628 199.23 PRESSAVG: 399400 -15.8426 -34.379 -44.4503 -34.379 -13.7136 44.084 -44.4504 44.084 22.323 GPRESSAVG: 399400 -14.9518 -34.0124 -41.5278 -32.4177 -13.5221 42.8439 -47.2064 43.3093 21.7266 TIMING: 399400 CPU: 1160.71, 0.00290899/step Wall: 1160.71, 0.00290899/step, 3.71753 hours remaining, 206.875000 MB of memory in use. ENERGY: 399400 700.0673 2118.0960 1955.4907 92.9230 -206263.0286 17876.3753 0.0000 0.0000 34200.1701 -149319.9063 298.6786 -183520.0763 -149223.4454 298.8498 115.3083 152.4769 557011.4832 -2.4111 -2.2491 PRESSURE: 399600 -122.36 -17.5683 -123.826 -17.5672 35.2846 -90.107 -123.829 -90.1054 196.001 GPRESSURE: 399600 -95.762 23.2265 -211.005 -69.6454 39.9579 -76.6164 -49.1437 -112.772 246.781 PRESSAVG: 399600 -17.1156 -28.7831 -5.17201 -28.7831 -25.2774 15.8817 -5.17192 15.8817 53.9997 GPRESSAVG: 399600 -16.3484 -29.0709 -7.15572 -29.5418 -25.7334 16.9653 -3.12771 15.2662 53.6055 TIMING: 399600 CPU: 1161.3, 0.00291643/step Wall: 1161.3, 0.00291643/step, 3.72688 hours remaining, 206.875000 MB of memory in use. ENERGY: 399600 721.9624 2089.2405 1947.7242 110.6053 -206128.7555 17765.4384 0.0000 0.0000 34264.0960 -149229.6887 299.2369 -183493.7847 -149129.1160 298.6704 36.3086 63.6590 557515.7316 3.8689 3.8412 PRESSURE: 399800 4.01084 -132.573 -179.407 -132.572 134.909 -122.673 -179.408 -122.672 9.70583 GPRESSURE: 399800 24.5033 -186.812 -155.358 -121.464 198.59 -71.514 -98.3699 -40.1697 15.1636 PRESSAVG: 399800 -11.1136 -98.8068 -35.8889 -98.8068 61.8474 11.2426 -35.8889 11.2426 19.1739 GPRESSAVG: 399800 -12.7775 -99.0331 -35.6135 -98.4121 61.9644 10.3614 -35.7541 11.6501 20.5884 TIMING: 399800 CPU: 1161.88, 0.00292899/step Wall: 1161.88, 0.00292899/step, 3.74276 hours remaining, 206.875000 MB of memory in use. ENERGY: 399800 762.7062 2123.4179 1979.5063 122.5417 -206470.7382 17950.6288 0.0000 0.0000 34528.0281 -149003.9092 301.5419 -183531.9373 -148907.6611 299.6148 49.5420 79.4189 558044.8274 23.3026 23.2584 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.009 seconds, 206.875 MB of memory in use PRESSURE: 400000 -55.8498 13.0799 69.2967 13.0801 248.544 -190.128 69.2965 -190.127 -287.458 GPRESSURE: 400000 -90.5933 94.7766 97.56 -56.0947 279.036 -178.517 20.1795 -232.079 -194.973 PRESSAVG: 400000 30.4345 -9.76969 -36.9833 -9.76981 11.7255 -4.7402 -36.9832 -4.74018 -26.09 GPRESSAVG: 400000 30.8685 -9.10768 -37.6472 -10.7902 11.7378 -5.35557 -37.5033 -2.68116 -26.8359 TIMING: 400000 CPU: 1162.48, 0.00296987/step Wall: 1162.48, 0.00296987/step, 3.79484 hours remaining, 208.160156 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: 400000 799.2774 2138.4623 1985.8517 106.1243 -206402.6085 17997.7743 0.0000 0.0000 34231.7526 -149143.3659 298.9544 -183375.1185 -149045.9185 298.9410 -31.5877 -2.1770 558037.3087 5.3567 5.2568 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.004 seconds, 208.180 MB of memory in use PRESSURE: 400200 113.849 -231.28 40.1077 -231.281 -175.033 15.7249 40.1076 15.7245 -121.104 GPRESSURE: 400200 119.107 -128.505 104.766 -241.98 -103.771 26.4622 7.39204 -72.2388 -125.538 PRESSAVG: 400200 12.0695 -55.9166 -15.2336 -55.9167 36.7389 -23.1769 -15.2336 -23.1769 -9.04229 GPRESSAVG: 400200 12.7023 -54.8813 -15.9737 -56.3197 37.7459 -21.076 -14.616 -24.3483 -10.8091 TIMING: 400200 CPU: 1163.06, 0.00292699/step Wall: 1163.06, 0.00292699/step, 3.73988 hours remaining, 208.179688 MB of memory in use. ENERGY: 400200 719.3644 2177.5918 1982.8579 113.8228 -206384.4576 17774.4145 0.0000 0.0000 34322.7748 -149293.6315 299.7493 -183616.4062 -149194.2407 299.2656 -60.7627 -36.7340 557440.0587 13.2554 13.2131 LDB: ============= START OF LOAD BALANCING ============== 1166.53 LDB: ============== END OF LOAD BALANCING =============== 1166.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1166.53 LDB: ============= START OF LOAD BALANCING ============== 1166.82 LDB: Largest compute 4820 load 0.028042 is 23.9% of average load 0.117494 LDB: Average compute 0.001736 is 1.5% of average load 0.117494 LDB: TIME 1166.82 LOAD: AVG 0.117494 MAX 0.17729 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.945 MB LDB: TIME 1166.82 LOAD: AVG 0.117494 MAX 0.17729 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.148 MB LDB: TIME 1166.82 LOAD: AVG 0.117494 MAX 0.17729 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1166.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1166.83 PRESSURE: 400400 163.643 9.6262 3.9152 9.62545 52.4969 193.563 3.91377 193.563 -313.832 GPRESSURE: 400400 148.636 63.444 3.52981 73.7024 115.897 249.221 -48.6702 179.491 -253.067 PRESSAVG: 400400 -44.4554 -16.5166 19.3527 -16.5165 4.77979 4.42264 19.3527 4.42252 43.5096 GPRESSAVG: 400400 -44.7235 -19.5128 19.8226 -14.7287 3.23456 1.62648 18.8806 5.91515 45.6355 TIMING: 400400 CPU: 1163.65, 0.00295861/step Wall: 1163.65, 0.00295861/step, 3.78012 hours remaining, 205.960938 MB of memory in use. ENERGY: 400400 796.1698 2122.4171 1973.0222 120.7287 -206283.0336 17884.8170 0.0000 0.0000 34184.1544 -149201.7244 298.5387 -183385.8788 -149102.4534 299.2040 -32.5641 3.8222 556653.0683 1.2780 1.3822 PRESSURE: 400600 -364.074 115.23 18.9233 115.23 -457.086 -116.285 18.924 -116.284 -74.4582 GPRESSURE: 400600 -399.256 96.4488 78.9197 148.567 -337.69 -154.206 -27.8829 -102.437 -61.5515 PRESSAVG: 400600 -31.8323 -11.3921 3.75054 -11.3921 -23.2269 33.3914 3.75048 33.3914 45.6925 GPRESSAVG: 400600 -31.3632 -11.2459 4.48695 -12.215 -22.6232 35.0043 4.36852 32.8914 45.2956 TIMING: 400600 CPU: 1164.23, 0.00289278/step Wall: 1164.23, 0.00289278/step, 3.69584 hours remaining, 206.164062 MB of memory in use. ENERGY: 400600 778.0785 2065.1831 1964.2908 113.9919 -205624.8283 17350.9292 0.0000 0.0000 34147.5613 -149204.7935 298.2191 -183352.3548 -149112.2464 298.7920 -298.5393 -266.1658 558088.2182 -3.1222 -2.8969 PRESSURE: 400800 181.334 -144.736 -167.847 -144.738 108.617 -61.0749 -167.847 -61.0753 358.483 GPRESSURE: 400800 192.51 -152.35 -131.857 -179.986 113.47 -117.721 -167.028 -37.2965 428.47 PRESSAVG: 400800 -28.139 -10.1836 39.6674 -10.1835 17.4127 1.3198 39.6674 1.3198 87.55 GPRESSAVG: 400800 -28.3296 -7.83047 40.103 -10.5101 16.9289 2.00733 36.2227 0.0457737 87.4017 TIMING: 400800 CPU: 1164.81, 0.0028975/step Wall: 1164.81, 0.0028975/step, 3.70172 hours remaining, 206.230469 MB of memory in use. ENERGY: 400800 760.6464 2113.6967 2006.9565 116.4524 -206506.6619 18173.5033 0.0000 0.0000 34269.0558 -149066.3507 299.2802 -183335.4065 -148965.5262 298.8326 216.1450 244.8168 555675.6642 25.6079 25.3337 PRESSURE: 401000 31.6013 -32.8567 198.944 -32.8584 40.3665 -85.0757 198.943 -85.076 35.2956 GPRESSURE: 401000 77.3584 22.6844 164.962 -83.777 117.301 -119.599 318.911 -144.571 5.17814 PRESSAVG: 401000 -30.9951 -17.7618 20.639 -17.7619 -26.3322 -53.0065 20.639 -53.0064 23.5276 GPRESSAVG: 401000 -29.7007 -19.2179 20.6364 -16.2603 -25.9135 -54.7456 23.5691 -51.7116 21.9278 TIMING: 401000 CPU: 1165.38, 0.00287256/step Wall: 1165.38, 0.00287256/step, 3.66969 hours remaining, 206.230469 MB of memory in use. ENERGY: 401000 773.7340 2094.7638 2007.3007 108.2779 -206533.5967 18053.8689 0.0000 0.0000 34198.3371 -149297.3143 298.6626 -183495.6514 -149198.2471 298.2503 35.7545 66.6127 557064.3291 -11.2666 -11.2288 PRESSURE: 401200 33.1642 -57.9757 -16.0089 -57.9754 210.113 102.305 -16.0088 102.304 -84.0958 GPRESSURE: 401200 65.7095 -59.3869 -45.7999 -61.5241 215.937 90.4966 -32.4693 33.473 -36.6241 PRESSAVG: 401200 40.805 -0.407569 -0.916787 -0.40754 -76.2091 13.6435 -0.916754 13.6436 12.0181 GPRESSAVG: 401200 39.559 0.0775214 0.105709 -3.1059 -75.6976 15.0151 -1.78465 12.2644 12.6745 TIMING: 401200 CPU: 1165.96, 0.00287451/step Wall: 1165.96, 0.00287451/step, 3.67203 hours remaining, 206.230469 MB of memory in use. ENERGY: 401200 759.9380 2155.0528 1975.2814 121.3369 -206496.1572 17990.3653 0.0000 0.0000 34342.2564 -149151.9265 299.9195 -183494.1829 -149055.9574 298.5180 53.0603 81.6743 556778.6635 -7.7953 -7.8214 PRESSURE: 401400 46.1162 -63.6684 -86.6786 -63.6689 -4.74087 46.478 -86.677 46.4769 0.111139 GPRESSURE: 401400 123.93 -16.4147 -54.1224 -27.5053 13.7668 53.2794 -118.51 6.70576 0.164671 PRESSAVG: 401400 31.9318 -38.132 -57.3902 -38.1321 -54.5899 34.3996 -57.3902 34.3996 33.6547 GPRESSAVG: 401400 32.3701 -38.8708 -57.6783 -35.938 -55.9061 34.4436 -58.9589 37.1455 34.0341 TIMING: 401400 CPU: 1166.54, 0.00289406/step Wall: 1166.54, 0.00289406/step, 3.69684 hours remaining, 206.230469 MB of memory in use. ENERGY: 401400 736.8448 2093.3004 2008.0783 117.6886 -206354.4415 17738.1743 0.0000 0.0000 34454.8698 -149205.4853 300.9029 -183660.3551 -149106.6773 299.3261 13.8288 45.9539 557169.0523 3.6656 3.4994 PRESSURE: 401600 -71.8699 22.8618 14.677 22.8621 -203.351 61.6797 14.6783 61.6801 -207.979 GPRESSURE: 401600 -79.2931 20.7704 46.7645 0.500968 -170.843 97.9604 41.8225 2.32751 -132.218 PRESSAVG: 401600 47.6653 -23.1444 7.93363 -23.1444 -75.6692 3.23203 7.93363 3.23197 44.3409 GPRESSAVG: 401600 46.5094 -22.3979 6.50456 -24.8977 -76.9567 2.26202 10.0983 0.198228 45.8061 TIMING: 401600 CPU: 1167.12, 0.00290669/step Wall: 1167.12, 0.00290669/step, 3.71281 hours remaining, 206.230469 MB of memory in use. ENERGY: 401600 742.3199 2062.8856 2000.5697 103.0438 -205411.0355 17243.2210 0.0000 0.0000 34062.1023 -149196.8932 297.4728 -183258.9956 -149102.0245 299.4511 -161.0665 -127.4512 557307.7609 5.4457 5.1196 PRESSURE: 401800 89.0908 -161.343 -14.4184 -161.344 -191.313 -61.4803 -14.4199 -61.4816 -102.775 GPRESSURE: 401800 124.173 -132.187 -89.5309 -210.488 -170.864 -102.365 0.330143 -33.2547 -63.3937 PRESSAVG: 401800 60.6014 -21.2874 39.1719 -21.2873 -20.8558 -6.12439 39.1719 -6.12449 7.72779 GPRESSAVG: 401800 60.0308 -22.6876 38.8713 -20.1954 -18.8377 -4.26227 40.2342 -6.17046 6.50085 TIMING: 401800 CPU: 1167.7, 0.00290075/step Wall: 1167.7, 0.00290075/step, 3.70507 hours remaining, 206.230469 MB of memory in use. ENERGY: 401800 747.2104 2061.0769 1985.9469 114.9368 -206207.1717 17800.0641 0.0000 0.0000 34243.0945 -149254.8421 299.0535 -183497.9365 -149154.8409 298.9452 -68.3323 -36.6950 555885.1288 15.8245 15.8980 PRESSURE: 402000 -13.4073 -19.8217 -40.2454 -19.821 130.733 -115.264 -40.2423 -115.264 -14.5668 GPRESSURE: 402000 45.9527 -11.7579 8.68714 69.818 112.667 -131.485 -15.7151 -117.83 40.7748 PRESSAVG: 402000 66.0067 -0.478692 49.5602 -0.478675 -54.9475 54.6293 49.5601 54.6292 -15.5727 GPRESSAVG: 402000 66.6643 3.36972 50.1508 1.92755 -56.6867 52.9341 48.7185 55.6461 -14.1566 TIMING: 402000 CPU: 1168.28, 0.00287953/step Wall: 1168.28, 0.00287954/step, 3.67781 hours remaining, 206.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 402000 744.4997 2055.8769 1981.3027 114.8469 -205959.4637 17788.4621 0.0000 0.0000 34396.6247 -148877.8508 300.3943 -183274.4754 -148784.1686 299.3455 34.2530 66.4649 556852.9306 -1.5045 -1.3930 PRESSURE: 402200 119.67 12.5537 -69.421 12.5538 235.779 -43.3284 -69.4211 -43.3277 -118.255 GPRESSURE: 402200 85.2099 95.7266 -115.596 -32.8353 280.895 -78.5149 26.559 -31.1751 -25.716 PRESSAVG: 402200 6.2684 -7.38026 -25.5887 -7.38026 21.239 -31.2806 -25.5886 -31.2807 -13.361 GPRESSAVG: 402200 6.16496 -10.3079 -24.7722 -8.5744 21.4343 -31.7632 -25.8011 -31.834 -13.5565 TIMING: 402200 CPU: 1168.85, 0.00287261/step Wall: 1168.85, 0.00287261/step, 3.6688 hours remaining, 206.230469 MB of memory in use. ENERGY: 402200 706.1166 2110.9741 2002.6155 105.4908 -205892.6186 17917.7170 0.0000 0.0000 34173.8753 -148875.8293 298.4490 -183049.7046 -148784.9937 299.3078 79.0647 113.4630 558266.7131 4.7155 4.6809 PRESSURE: 402400 -82.9132 14.1982 -50.4821 14.1995 139.377 -29.8668 -50.4826 -29.8676 92.4212 GPRESSURE: 402400 -56.5833 -86.3636 -43.1767 70.1341 177.483 17.6221 -72.9641 1.30573 119.27 PRESSAVG: 402400 -33.6171 -36.3514 -20.7936 -36.3515 -19.2522 -13.7234 -20.7936 -13.7233 51.0261 GPRESSAVG: 402400 -33.1253 -35.3653 -21.5355 -37.5973 -20.008 -12.7836 -20.948 -12.6751 51.3222 TIMING: 402400 CPU: 1169.43, 0.0028866/step Wall: 1169.43, 0.0028866/step, 3.68651 hours remaining, 206.230469 MB of memory in use. ENERGY: 402400 751.9999 2034.2083 1986.9161 104.4001 -205883.9549 17795.3497 0.0000 0.0000 34289.0736 -148922.0072 299.4550 -183211.0808 -148831.5766 300.5673 49.6284 80.0564 555987.8216 -0.6144 -0.6037 PRESSURE: 402600 253.608 34.8747 -83.1717 34.8737 -84.7217 -31.2902 -83.1715 -31.2919 153.735 GPRESSURE: 402600 248.914 19.4195 -79.1219 42.5148 -53.748 -32.7586 -35.8276 -23.6561 215.769 PRESSAVG: 402600 -5.34104 25.6608 -10.5785 25.6607 4.44077 -43.7037 -10.5786 -43.7038 14.4539 GPRESSAVG: 402600 -5.15429 25.6045 -10.0959 27.3966 4.72233 -44.048 -10.3656 -45.2155 14.1207 TIMING: 402600 CPU: 1170.01, 0.00289116/step Wall: 1170.01, 0.00289116/step, 3.69217 hours remaining, 206.230469 MB of memory in use. ENERGY: 402600 711.3276 2075.7979 1989.9532 105.6431 -206131.2691 17734.2945 0.0000 0.0000 34443.6318 -149070.6210 300.8048 -183514.2528 -148976.1835 300.1632 107.5405 136.9784 555986.9328 4.5179 4.5629 PRESSURE: 402800 196.668 -114.281 42.5894 -114.281 -65.1711 175.487 42.5894 175.485 207.612 GPRESSURE: 402800 229.553 -122.05 46.4167 -140.829 -49.6456 80.2343 8.20243 230.62 255.185 PRESSAVG: 402800 86.3171 14.9117 -4.36679 14.9117 -9.50988 -18.0747 -4.36674 -18.0749 14.5462 GPRESSAVG: 402800 87.2588 15.7313 -5.15381 13.9001 -9.71615 -17.9088 -5.16535 -17.9167 13.5507 TIMING: 402800 CPU: 1170.59, 0.00289486/step Wall: 1170.59, 0.00289486/step, 3.69674 hours remaining, 206.230469 MB of memory in use. ENERGY: 402800 764.2621 2065.1534 1973.3229 102.7708 -205842.1895 17859.5707 0.0000 0.0000 34162.4568 -148914.6527 298.3492 -183077.1094 -148824.3943 300.0231 113.0364 145.0308 555916.1980 30.4511 30.3645 PRESSURE: 403000 176.619 -48.1774 -81.0141 -48.1778 110.596 22.6328 -81.0128 22.6327 52.8229 GPRESSURE: 403000 213.124 -132.853 -76.9416 -14.1685 103.6 53.0855 -29.5246 -2.23937 104.979 PRESSAVG: 403000 104.739 -20.2158 23.0592 -20.2157 -14.8854 13.6283 23.0592 13.6282 -104.413 GPRESSAVG: 403000 104.967 -20.9378 22.1873 -21.8289 -14.1201 13.8387 23.591 13.4997 -105.239 TIMING: 403000 CPU: 1171.17, 0.00290637/step Wall: 1171.17, 0.00290637/step, 3.71128 hours remaining, 206.230469 MB of memory in use. ENERGY: 403000 732.2042 2074.5092 1983.2096 114.4335 -206243.1957 17953.0203 0.0000 0.0000 34369.7505 -149016.0683 300.1596 -183385.8188 -148926.1489 299.8371 113.3458 140.5677 556626.0226 -4.8531 -4.7972 PRESSURE: 403200 62.8629 25.6631 -85.9484 25.6636 212.763 -60.5901 -85.949 -60.5887 -106.958 GPRESSURE: 403200 138.589 22.1823 -155.923 43.2371 207.01 -96.2894 -57.3816 -128.141 -84.628 PRESSAVG: 403200 69.6848 -32.2275 1.6695 -32.2275 32.1419 -7.4658 1.66956 -7.46584 -39.0021 GPRESSAVG: 403200 68.4745 -31.2662 2.39162 -32.0306 32.4026 -6.549 0.92834 -8.45523 -38.2964 TIMING: 403200 CPU: 1171.74, 0.0028923/step Wall: 1171.74, 0.0028923/step, 3.69314 hours remaining, 206.230469 MB of memory in use. ENERGY: 403200 721.3135 2038.4588 1999.1176 105.7059 -206333.7468 17972.0903 0.0000 0.0000 34436.9377 -149060.1230 300.7463 -183497.0607 -148962.0288 299.7136 56.2227 86.9905 558468.4491 20.9415 20.8602 PRESSURE: 403400 -181.606 -59.1806 -46.1938 -59.1797 101.586 157.101 -46.1935 157.102 -270.941 GPRESSURE: 403400 -119.302 -75.6772 1.04793 -6.17409 122.024 66.9603 4.2751 148.694 -254.935 PRESSAVG: 403400 33.3894 18.5161 61.7852 18.5162 103.435 18.9745 61.7851 18.9744 -125.404 GPRESSAVG: 403400 34.0032 18.6078 62.8223 20.2628 103.211 16.1503 63.7394 18.7575 -125.145 TIMING: 403400 CPU: 1172.32, 0.00288609/step Wall: 1172.32, 0.00288609/step, 3.68506 hours remaining, 206.230469 MB of memory in use. ENERGY: 403400 791.6410 2054.2658 1981.7701 120.4808 -206140.3478 17964.7878 0.0000 0.0000 34026.1101 -149201.2921 297.1585 -183227.4023 -149110.5441 298.4807 -116.9870 -84.0710 559563.0246 3.8067 4.0232 PRESSURE: 403600 -193.613 -36.7918 69.0995 -36.7905 145.748 -205.847 69.0985 -205.848 -202.873 GPRESSURE: 403600 -152.211 -7.10252 -26.8908 0.358866 158.748 -217.72 132.304 -145.97 -165.271 PRESSAVG: 403600 -9.79384 -13.6766 23.0465 -13.6767 30.3435 24.7437 23.0465 24.7438 -8.51388 GPRESSAVG: 403600 -9.53786 -13.7438 22.2394 -15.9262 30.0817 26.3941 23.0395 24.6892 -8.32746 TIMING: 403600 CPU: 1172.9, 0.00288581/step Wall: 1172.9, 0.00288581/step, 3.68453 hours remaining, 206.230469 MB of memory in use. ENERGY: 403600 760.4440 2075.1815 1987.3811 115.0636 -206167.3251 17856.9352 0.0000 0.0000 34105.7698 -149266.5500 297.8542 -183372.3198 -149170.8214 298.8534 -83.5795 -52.9112 558864.5271 4.0119 4.0721 PRESSURE: 403800 -73.7588 93.8258 -33.1443 93.8263 -171.33 -8.53866 -33.1436 -8.53899 -186.684 GPRESSURE: 403800 -76.6376 75.2136 23.1961 29.4082 -43.9502 5.97868 -72.7697 -67.822 -237.081 PRESSAVG: 403800 -5.62244 2.85812 8.09542 2.85817 43.6596 -34.6083 8.0954 -34.6084 -10.3397 GPRESSAVG: 403800 -4.95429 1.55368 9.0784 2.41351 43.6148 -34.7881 7.2251 -34.7086 -11.5752 TIMING: 403800 CPU: 1173.48, 0.00289302/step Wall: 1173.48, 0.00289302/step, 3.69358 hours remaining, 206.230469 MB of memory in use. ENERGY: 403800 750.8237 2101.9556 2027.9275 99.8100 -205530.2518 17321.4786 0.0000 0.0000 33955.3605 -149272.8959 296.5406 -183228.2564 -149179.2562 298.6223 -143.9240 -119.2229 557960.1763 9.2325 9.0284 PRESSURE: 404000 118.943 104.115 -12.1228 104.112 -32.6694 -100.561 -12.1224 -100.56 -92.8019 GPRESSURE: 404000 186.492 133.503 24.7513 115.353 -9.33805 -85.2853 -55.294 -120.857 -87.5478 PRESSAVG: 404000 -10.0879 83.6089 18.5753 83.6089 28.2673 -28.518 18.5753 -28.5179 -41.7812 GPRESSAVG: 404000 -10.8686 83.4111 17.6802 84.1799 27.8992 -26.8233 18.0373 -27.681 -40.1383 TIMING: 404000 CPU: 1174.06, 0.00290395/step Wall: 1174.06, 0.00290395/step, 3.70738 hours remaining, 206.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 404000 727.9274 2086.7086 2010.8132 113.6195 -206038.8803 17753.2228 0.0000 0.0000 34164.5030 -149182.0858 298.3671 -183346.5887 -149092.9020 299.1684 -2.1761 29.8686 556131.6909 -7.8673 -7.7025 PRESSURE: 404200 -203.948 -115.934 -150.375 -115.935 -39.998 26.343 -150.377 26.3439 115.154 GPRESSURE: 404200 -184.892 -12.1062 -127.826 -172.752 -16.8653 7.36662 -188.338 -36.1744 179.075 PRESSAVG: 404200 -5.19569 12.34 10.603 12.3401 -9.25799 -65.8628 10.6029 -65.8628 33.9084 GPRESSAVG: 404200 -5.86435 11.5508 11.8088 12.2709 -9.00187 -67.5742 10.0349 -65.4613 33.745 TIMING: 404200 CPU: 1174.64, 0.00292069/step Wall: 1174.64, 0.00292069/step, 3.72859 hours remaining, 206.230469 MB of memory in use. ENERGY: 404200 744.9376 2149.6652 1968.1602 113.6787 -205974.5484 17647.6947 0.0000 0.0000 34142.6313 -149207.7808 298.1761 -183350.4120 -149113.9881 299.4124 -42.9307 -7.5609 557543.9409 6.4849 6.2929 LDB: ============= START OF LOAD BALANCING ============== 1178.11 LDB: ============== END OF LOAD BALANCING =============== 1178.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1178.11 LDB: ============= START OF LOAD BALANCING ============== 1178.4 LDB: Largest compute 4820 load 0.029484 is 25.1% of average load 0.117507 LDB: Average compute 0.001738 is 1.5% of average load 0.117507 LDB: TIME 1178.41 LOAD: AVG 0.117507 MAX 0.176943 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.426 MB LDB: TIME 1178.41 LOAD: AVG 0.117507 MAX 0.176943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: TIME 1178.41 LOAD: AVG 0.117507 MAX 0.176943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1178.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1178.41 PRESSURE: 404400 6.72861 -106.543 -37.1621 -106.543 -339.453 109.711 -37.1621 109.711 -175.287 GPRESSURE: 404400 90.4318 -182.238 -68.3965 -57.3094 -333.376 130.783 42.9897 110.88 -173.487 PRESSAVG: 404400 12.5178 7.96308 34.3872 7.96307 -41.9358 -1.3285 34.3872 -1.32859 58.7124 GPRESSAVG: 404400 13.3045 8.98943 35.1618 8.24391 -42.2634 -1.66135 33.8011 -2.54326 57.919 TIMING: 404400 CPU: 1175.24, 0.00297444/step Wall: 1175.24, 0.00297444/step, 3.79703 hours remaining, 203.843750 MB of memory in use. ENERGY: 404400 750.5984 2135.6245 1981.0751 106.6107 -206118.1262 17629.3900 0.0000 0.0000 34309.2453 -149205.5823 299.6312 -183514.8276 -149106.4158 298.9947 -169.3370 -138.8102 556602.0185 9.7648 9.6534 PRESSURE: 404600 -166.912 157.01 -4.34979 157.01 71.5483 -45.1722 -4.35086 -45.1717 -37.7671 GPRESSURE: 404600 -83.8026 148.183 -49.4595 120.759 93.485 0.972371 47.3181 -48.6513 -41.003 PRESSAVG: 404600 -14.8722 13.5801 -19.652 13.5801 26.4357 -4.06285 -19.652 -4.06286 -56.1004 GPRESSAVG: 404600 -15.6029 14.5365 -22.49 12.917 27.1733 -3.78425 -18.1645 -2.99451 -56.1658 TIMING: 404600 CPU: 1175.82, 0.00289327/step Wall: 1175.82, 0.00289327/step, 3.69326 hours remaining, 204.046875 MB of memory in use. ENERGY: 404600 774.7737 2061.2300 2013.5933 117.0327 -205732.7763 17638.9441 0.0000 0.0000 34057.2590 -149069.9436 297.4305 -183127.2026 -148977.9831 299.1211 -44.3769 -10.4402 557646.9893 -14.8456 -14.8651 PRESSURE: 404800 180.794 -142.265 -38.9216 -142.266 180.559 -66.6549 -38.9219 -66.6543 -93.2989 GPRESSURE: 404800 149.77 -184.137 -106.653 -119.311 203.419 -117.142 -44.8922 57.53 18.1882 PRESSAVG: 404800 33.0691 9.1557 -52.5848 9.15571 0.318431 0.352463 -52.5847 0.352377 -21.3214 GPRESSAVG: 404800 33.4611 10.0401 -49.0639 8.46225 -0.181721 0.0238589 -54.285 1.01745 -20.899 TIMING: 404800 CPU: 1176.4, 0.00291104/step Wall: 1176.4, 0.00291104/step, 3.71578 hours remaining, 204.066406 MB of memory in use. ENERGY: 404800 757.7552 2123.3390 1949.6591 113.5688 -206383.3601 17990.1450 0.0000 0.0000 34223.5208 -149225.3722 298.8825 -183448.8930 -149125.6932 298.6225 89.3514 123.7924 556643.1351 4.0220 4.1268 PRESSURE: 405000 -194.674 92.1591 20.5214 92.1577 9.55666 15.0119 20.5229 15.0132 147.934 GPRESSURE: 405000 -143.049 89.1151 -103.619 -13.7361 4.34023 -82.0329 38.9075 48.051 202.09 PRESSAVG: 405000 -11.1077 -44.5743 -7.82623 -44.5744 -42.3986 14.2478 -7.82616 14.2479 39.1865 GPRESSAVG: 405000 -11.0801 -44.8507 -9.48729 -43.8551 -42.9533 11.7275 -7.65493 14.4581 39.6594 TIMING: 405000 CPU: 1176.98, 0.00290187/step Wall: 1176.98, 0.00290187/step, 3.70392 hours remaining, 204.066406 MB of memory in use. ENERGY: 405000 723.3910 2113.3638 1992.7798 118.1394 -205897.9843 17476.1303 0.0000 0.0000 34216.8374 -149257.3427 298.8242 -183474.1801 -149159.0094 299.0597 -12.3943 21.1271 555682.5581 -4.7733 -4.7913 PRESSURE: 405200 -90.3777 84.1654 179.493 84.1659 -203.492 -63.8807 179.494 -63.8822 57.3504 GPRESSURE: 405200 -58.1258 158.314 378.038 35.5231 -210.57 -90.9587 65.2117 -45.5516 115.256 PRESSAVG: 405200 0.775429 -8.99762 27.2894 -8.99755 26.1089 36.5488 27.2895 36.5489 16.5995 GPRESSAVG: 405200 0.22017 -11.131 27.0432 -9.67178 27.4702 36.812 27.5187 35.4459 15.8707 TIMING: 405200 CPU: 1177.56, 0.00289594/step Wall: 1177.56, 0.00289594/step, 3.69619 hours remaining, 204.066406 MB of memory in use. ENERGY: 405200 764.9616 2106.9653 1968.3264 123.2257 -206560.0626 17927.3140 0.0000 0.0000 34456.5142 -149212.7554 300.9173 -183669.2696 -149117.8145 299.1285 -78.8398 -51.1465 557710.0771 14.4946 14.5203 PRESSURE: 405400 210.112 -97.8208 200.201 -97.8214 23.9456 54.1911 200.201 54.1898 -111.643 GPRESSURE: 405400 221.161 -78.5454 186.949 -136.237 66.8975 38.4997 189.604 109.322 -66.0134 PRESSAVG: 405400 74.8632 -25.6021 33.3524 -25.6022 -34.2266 41.6954 33.3524 41.6953 -7.96599 GPRESSAVG: 405400 76.3757 -25.5102 33.5939 -24.9517 -34.6226 42.9638 33.7202 43.2494 -9.11696 TIMING: 405400 CPU: 1178.14, 0.0029118/step Wall: 1178.14, 0.0029118/step, 3.71626 hours remaining, 204.066406 MB of memory in use. ENERGY: 405400 710.2208 2039.6019 1973.3802 110.6898 -206295.3955 17957.6981 0.0000 0.0000 34341.0774 -149162.7273 299.9092 -183503.8047 -149065.5365 299.0118 40.8049 74.0150 558724.0844 10.8902 10.8787 PRESSURE: 405600 84.9354 2.13887 114.869 2.13827 35 1.22254 114.87 1.22198 -308.25 GPRESSURE: 405600 114.005 -54.8945 143.81 19.0559 65.4135 37.6287 143.429 -48.3769 -280.197 PRESSAVG: 405600 -43.1217 47.9719 32.7175 47.9718 84.5988 25.6304 32.7175 25.6304 -27.1374 GPRESSAVG: 405600 -43.3504 47.9623 34.0005 51.4594 84.1553 26.4295 32.4467 22.9051 -26.4789 TIMING: 405600 CPU: 1178.72, 0.002906/step Wall: 1178.72, 0.002906/step, 3.7087 hours remaining, 204.066406 MB of memory in use. ENERGY: 405600 741.3622 2082.1772 2010.2387 106.4059 -206126.6400 17663.3783 0.0000 0.0000 34217.0961 -149305.9816 298.8264 -183523.0777 -149202.7099 299.2718 -62.7714 -33.5929 558530.6185 4.7799 4.7753 PRESSURE: 405800 -293.538 -31.8434 -130.243 -31.8442 -244.183 158.943 -130.242 158.944 -442.945 GPRESSURE: 405800 -307.937 33.1603 -189.452 -33.3319 -257.155 94.7055 -87.7519 90.6494 -329.827 PRESSAVG: 405800 14.7072 22.0852 5.90625 22.0851 -33.5813 17.7834 5.90628 17.7834 -25.5228 GPRESSAVG: 405800 13.5119 22.1685 5.53425 18.1496 -32.9472 16.4627 5.32521 19.4113 -24.9043 TIMING: 405800 CPU: 1179.31, 0.00292341/step Wall: 1179.31, 0.00292341/step, 3.73076 hours remaining, 204.066406 MB of memory in use. ENERGY: 405800 757.4843 2077.9319 1982.2295 101.8536 -205838.8229 17450.3746 0.0000 0.0000 34248.7902 -149220.1588 299.1032 -183468.9490 -149120.8536 298.6727 -326.8884 -298.3065 559512.0835 -14.7990 -14.7799 PRESSURE: 406000 -201.885 -267.5 -34.1077 -267.499 -108.597 53.1444 -34.1079 53.1462 -41.8873 GPRESSURE: 406000 -206.609 -234.199 8.25246 -364.725 -6.53505 95.1599 -48.2885 41.0657 -39.1212 PRESSAVG: 406000 -64.8329 -3.90249 -65.909 -3.90246 11.9038 33.54 -65.909 33.54 28.0097 GPRESSAVG: 406000 -64.4588 -2.91508 -66.855 -2.46071 11.6794 33.1789 -65.2701 34.7656 28.5574 TIMING: 406000 CPU: 1179.88, 0.00286936/step Wall: 1179.88, 0.00286936/step, 3.66162 hours remaining, 204.066406 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: 406000 751.4149 2071.9328 1981.0586 114.0214 -205977.4855 17497.7105 0.0000 0.0000 34209.7206 -149351.6267 298.7620 -183561.3473 -149255.1827 298.1237 -117.4566 -84.0885 557459.4649 -8.3065 -8.0740 PRESSURE: 406200 104.647 -28.2277 -159.142 -28.2276 -115.602 -15.0415 -159.145 -15.0415 -215.423 GPRESSURE: 406200 129.129 52.9318 -198.861 4.94156 -80.0171 -29.7217 -74.6432 -41.8614 -176.339 PRESSAVG: 406200 -7.66221 -35.7729 -59.8325 -35.7728 2.28907 22.0561 -59.8325 22.0561 31.2263 GPRESSAVG: 406200 -8.35817 -34.6151 -60.781 -36.2778 2.62366 23.3041 -60.5481 20.9001 31.6101 TIMING: 406200 CPU: 1180.46, 0.00287849/step Wall: 1180.46, 0.00287849/step, 3.67312 hours remaining, 204.066406 MB of memory in use. ENERGY: 406200 748.8329 2075.3831 1971.9335 113.2029 -206349.5391 17789.5796 0.0000 0.0000 34591.5681 -149059.0390 302.0968 -183650.6071 -148958.0492 299.6497 -75.4596 -42.4089 557514.4985 8.6177 8.6252 PRESSURE: 406400 80.3574 -25.4846 25.7654 -25.4854 -119.535 -70.0164 25.7661 -70.0162 -123.083 GPRESSURE: 406400 70.0518 -15.8713 -0.038452 7.39278 -63.6705 -55.6468 61.3974 -114.536 -72.2785 PRESSAVG: 406400 97.399 -89.36 -13.4744 -89.3599 -9.57929 -2.42629 -13.4744 -2.42624 -34.3282 GPRESSAVG: 406400 98.3539 -90.4343 -12.0121 -88.9287 -10.491 -3.43445 -12.0252 -2.66972 -34.9251 TIMING: 406400 CPU: 1181.04, 0.00289783/step Wall: 1181.04, 0.00289783/step, 3.69763 hours remaining, 204.066406 MB of memory in use. ENERGY: 406400 739.1547 2073.3077 1972.9996 114.1302 -206147.0775 17793.5991 0.0000 0.0000 34098.5440 -149355.3422 297.7911 -183453.8861 -149266.0821 299.6244 -54.0868 -21.9657 556172.2101 17.8305 17.6459 PRESSURE: 406600 -18.1311 -61.4299 -91.9443 -61.4289 -306.092 49.4683 -91.9439 49.4674 127.794 GPRESSURE: 406600 41.7852 -27.4642 -54.2817 -139.385 -295.546 35.607 -27.7301 56.3808 157.338 PRESSAVG: 406600 -48.6583 -35.5065 19.4605 -35.5066 1.37333 45.6783 19.4605 45.6782 -15.6895 GPRESSAVG: 406600 -48.9641 -36.1252 18.9285 -35.6714 2.14331 45.6894 19.4752 44.5851 -15.5502 TIMING: 406600 CPU: 1181.61, 0.0028718/step Wall: 1181.61, 0.0028718/step, 3.66426 hours remaining, 204.066406 MB of memory in use. ENERGY: 406600 721.2671 2093.8534 2003.3571 108.8143 -205920.5572 17595.1207 0.0000 0.0000 34083.5850 -149314.5596 297.6604 -183398.1446 -149221.3923 297.9602 -65.4763 -32.1408 557810.5121 -20.9915 -20.7903 PRESSURE: 406800 100.628 -16.8939 -205.527 -16.896 -89.7915 -77.5724 -205.527 -77.5719 129.171 GPRESSURE: 406800 114.538 36.7979 -284.45 -36.6883 -4.19227 -70.6225 -213.103 -31.3573 130.577 PRESSAVG: 406800 -12.5797 -43.0883 -38.0794 -43.0883 -9.17643 -7.68783 -38.0794 -7.68774 -29.7043 GPRESSAVG: 406800 -12.3097 -43.4283 -37.8617 -43.9944 -9.30186 -7.04296 -37.9253 -6.55275 -29.1116 TIMING: 406800 CPU: 1182.19, 0.00288431/step Wall: 1182.19, 0.00288431/step, 3.68006 hours remaining, 204.066406 MB of memory in use. ENERGY: 406800 784.2521 2101.3030 1984.5436 123.7912 -206216.2348 17903.8450 0.0000 0.0000 34177.4459 -149141.0540 298.4801 -183318.4999 -149045.8507 298.8178 46.6691 80.3074 556569.1412 -17.1535 -16.9077 PRESSURE: 407000 -496.586 -104.975 166.642 -104.976 -292.324 25.8958 166.642 25.8955 -27.2363 GPRESSURE: 407000 -421.708 -109.275 180.499 -124.505 -299.731 -19.5579 165.096 8.85753 3.57874 PRESSAVG: 407000 14.6054 -26.2884 -67.1377 -26.2885 -16.8432 -6.7194 -67.1376 -6.71942 -4.53132 GPRESSAVG: 407000 13.9006 -25.3677 -67.4114 -24.1544 -15.5409 -6.77464 -66.4422 -8.10439 -4.87545 TIMING: 407000 CPU: 1182.76, 0.00287483/step Wall: 1182.76, 0.00287483/step, 3.6678 hours remaining, 204.066406 MB of memory in use. ENERGY: 407000 766.7346 2120.2892 1959.8912 106.0838 -205975.3414 17446.3246 0.0000 0.0000 34254.2567 -149321.7613 299.1509 -183576.0180 -149218.9899 298.9211 -272.0489 -239.2867 556550.6396 -2.2564 -2.1719 PRESSURE: 407200 -53.5731 218.57 15.6539 218.57 -98.7146 35.3004 15.6547 35.3 152.745 GPRESSURE: 407200 -42.8571 159.53 49.775 272.729 -61.862 -70.7609 -39.7733 71.0065 194.512 PRESSAVG: 407200 -11.2058 9.18134 -5.64574 9.18134 -24.926 -9.22625 -5.64571 -9.22632 6.08103 GPRESSAVG: 407200 -11.3366 7.76828 -5.315 5.99654 -24.7568 -9.81284 -7.66459 -7.87751 5.39596 TIMING: 407200 CPU: 1183.34, 0.00287752/step Wall: 1183.34, 0.00287752/step, 3.67108 hours remaining, 204.066406 MB of memory in use. ENERGY: 407200 777.5525 2140.0929 1961.0223 113.5977 -206338.0062 17759.7429 0.0000 0.0000 34107.6139 -149478.3841 297.8703 -183585.9980 -149384.9107 298.6797 0.1524 29.9311 555474.3570 -10.0169 -10.2325 PRESSURE: 407400 -93.2301 -22.6685 -113.373 -22.6668 30.2969 -43.7339 -113.373 -43.7339 -24.2389 GPRESSURE: 407400 -56.163 -60.106 -51.4814 2.99678 16.2203 -84.8273 -106.774 47.6637 58.1839 PRESSAVG: 407400 -72.7248 38.0381 9.31544 38.038 44.8077 -6.62085 9.31552 -6.62075 43.1331 GPRESSAVG: 407400 -72.8886 38.3125 7.25798 40.6541 44.7034 -6.01211 12.3578 -8.09737 43.4526 TIMING: 407400 CPU: 1183.91, 0.00287792/step Wall: 1183.91, 0.00287792/step, 3.67143 hours remaining, 204.066406 MB of memory in use. ENERGY: 407400 796.2088 2066.9442 1940.9043 126.1199 -206404.9939 17824.7585 0.0000 0.0000 34290.3815 -149359.6767 299.4664 -183650.0582 -149262.3049 298.4082 -29.0574 6.0804 557254.5118 5.0720 5.0891 PRESSURE: 407600 -301.425 -183.743 -5.08451 -183.744 171.596 -57.8954 -5.08469 -57.8963 -255.731 GPRESSURE: 407600 -207.067 -184.554 -113.99 -218.609 162.583 -171.536 40.307 69.0579 -245.623 PRESSAVG: 407600 -62.1563 -31.2006 5.34555 -31.2006 107.297 25.9267 5.34547 25.9267 -53.7616 GPRESSAVG: 407600 -60.8383 -29.918 7.17428 -33.8009 106.72 24.8518 3.87936 27.4311 -54.0789 TIMING: 407600 CPU: 1184.49, 0.00287794/step Wall: 1184.49, 0.00287794/step, 3.67129 hours remaining, 204.066406 MB of memory in use. ENERGY: 407600 728.6479 2099.9934 1951.0364 108.7837 -206011.6365 17653.3481 0.0000 0.0000 34158.8884 -149310.9385 298.3181 -183469.8269 -149210.9311 299.0506 -128.5201 -96.7020 559248.5667 -2.8735 -2.7324 PRESSURE: 407800 20.7249 -25.9924 -25.8587 -25.9929 2.05104 -34.0234 -25.8594 -34.0251 -58.1074 GPRESSURE: 407800 54.7208 4.36405 -50.9705 -58.9612 -9.1614 29.6356 -45.3314 -8.97672 -0.525098 PRESSAVG: 407800 -33.785 25.3118 42.3181 25.3117 88.144 13.3734 42.3181 13.3734 -81.7025 GPRESSAVG: 407800 -34.3145 24.8582 40.5689 24.3881 87.0183 13.3021 42.7267 11.8341 -80.3991 TIMING: 407800 CPU: 1185.07, 0.00288863/step Wall: 1185.07, 0.00288863/step, 3.68477 hours remaining, 204.066406 MB of memory in use. ENERGY: 407800 704.5090 2093.0850 1935.3746 114.1595 -206106.5857 17721.4110 0.0000 0.0000 34263.9699 -149274.0768 299.2358 -183538.0467 -149168.3361 298.4719 -11.7772 15.0114 558131.8165 -9.1145 -9.2318 PRESSURE: 408000 -203.126 16.1568 -38.7519 16.1571 -72.5055 46.565 -38.7522 46.5666 -67.9261 GPRESSURE: 408000 -163.072 13.2015 -8.79856 -14.3531 1.71166 38.3028 -9.31097 65.9963 -66.0631 PRESSAVG: 408000 27.402 -5.5841 20.587 -5.58416 40.0955 15.4775 20.5872 15.4774 -57.9629 GPRESSAVG: 408000 27.1093 -4.41682 20.1295 -5.39947 41.2278 15.9579 19.7061 15.828 -58.5659 TIMING: 408000 CPU: 1185.64, 0.00288266/step Wall: 1185.64, 0.00288266/step, 3.677 hours remaining, 204.066406 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: 408000 733.6703 2096.1054 1966.0437 123.4253 -206322.8881 17767.9883 0.0000 0.0000 34108.3183 -149527.3369 297.8764 -183635.6552 -149433.9831 298.3820 -114.5192 -75.8078 557128.1668 3.1782 3.2571 PRESSURE: 408200 -327.199 17.7426 60.6858 17.7436 -99.2168 -81.8915 60.6863 -81.8914 -242.605 GPRESSURE: 408200 -273.29 63.3662 -16.6801 10.1244 -54.3367 -68.2049 135.112 -75.5321 -232.36 PRESSAVG: 408200 21.2971 54.4841 4.13031 54.4842 24.4584 -5.80878 4.1303 -5.80866 10.897 GPRESSAVG: 408200 22.0437 53.3845 3.08303 55.8224 24.6448 -5.64157 5.27979 -5.98067 10.1717 TIMING: 408200 CPU: 1186.22, 0.00289431/step Wall: 1186.22, 0.00289431/step, 3.69169 hours remaining, 204.066406 MB of memory in use. ENERGY: 408200 741.2521 2058.1092 1962.5047 123.2321 -206218.3826 17752.7687 0.0000 0.0000 34097.9487 -149482.5670 297.7859 -183580.5157 -149379.3004 297.9794 -223.0067 -186.6623 558639.5906 18.8842 18.9534 LDB: ============= START OF LOAD BALANCING ============== 1189.69 LDB: ============== END OF LOAD BALANCING =============== 1189.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1189.69 LDB: ============= START OF LOAD BALANCING ============== 1189.98 LDB: Largest compute 4820 load 0.028236 is 24.0% of average load 0.117490 LDB: Average compute 0.001744 is 1.5% of average load 0.117490 LDB: TIME 1189.98 LOAD: AVG 0.11749 MAX 0.178359 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.816 MB LDB: TIME 1189.98 LOAD: AVG 0.11749 MAX 0.178359 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.816 MB LDB: TIME 1189.98 LOAD: AVG 0.11749 MAX 0.178359 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1189.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1189.98 PRESSURE: 408400 100.34 -57.3976 20.315 -57.3972 130.239 93.8038 20.3134 93.804 -246.13 GPRESSURE: 408400 112.282 -122.457 -5.35625 -49.3747 137.301 85.2465 63.7181 70.9102 -182.832 PRESSAVG: 408400 -15.7403 -25.0843 53.8046 -25.0842 48.1316 -21.2737 53.8045 -21.2738 -33.0488 GPRESSAVG: 408400 -15.9196 -26.3479 54.5795 -25.9339 48.3134 -20.7955 52.7859 -21.402 -32.7511 TIMING: 408400 CPU: 1186.81, 0.00293972/step Wall: 1186.81, 0.00293971/step, 3.74944 hours remaining, 205.640625 MB of memory in use. ENERGY: 408400 741.9891 2152.0290 1967.2559 126.3474 -206632.2444 18018.4687 0.0000 0.0000 34240.9294 -149385.2250 299.0346 -183626.1544 -149284.6564 298.8387 -5.1835 22.2501 559260.4399 -0.2191 -0.1191 PRESSURE: 408600 -74.4484 -85.2916 -41.771 -85.2907 -34.3689 -81.2489 -41.7723 -81.2488 -315.906 GPRESSURE: 408600 -86.7143 -142.282 -65.3322 -51.8163 44.1603 -47.5748 12.0525 -62.5911 -281.723 PRESSAVG: 408600 11.8598 27.1847 25.5572 27.1847 46.989 -25.1843 25.5573 -25.1842 -40.0756 GPRESSAVG: 408600 10.8712 28.8893 26.6101 27.3457 46.3462 -25.1025 25.1561 -25.1056 -38.6959 TIMING: 408600 CPU: 1187.39, 0.00287981/step Wall: 1187.39, 0.00287981/step, 3.67287 hours remaining, 206.039062 MB of memory in use. ENERGY: 408600 756.9092 2096.4750 1962.2676 117.3403 -206011.6948 17653.1751 0.0000 0.0000 33920.0365 -149505.4910 296.2321 -183425.5275 -149406.4625 298.0419 -141.5744 -108.0925 559285.2045 6.2577 6.1738 PRESSURE: 408800 -269.44 -56.8465 -8.2489 -56.8469 -455.734 60.6111 -8.2493 60.6102 -344.174 GPRESSURE: 408800 -233.06 -11.3934 -17.8028 -57.0875 -428.536 65.4605 30.0232 111.52 -306.062 PRESSAVG: 408800 -27.2802 23.2913 -1.04161 23.2913 9.15363 -9.92955 -1.04163 -9.92957 -33.8322 GPRESSAVG: 408800 -26.551 22.4081 -2.57455 24.4987 10.5726 -10.2433 -0.380789 -9.34591 -35.2726 TIMING: 408800 CPU: 1187.96, 0.00288043/step Wall: 1187.96, 0.00288042/step, 3.6735 hours remaining, 206.039062 MB of memory in use. ENERGY: 408800 765.2414 2125.0339 1962.1991 109.2114 -206027.1091 17368.6806 0.0000 0.0000 34206.8538 -149489.8889 298.7370 -183696.7427 -149394.5792 298.2052 -356.4493 -322.5530 558778.4570 -17.3196 -17.0837 PRESSURE: 409000 -97.7972 67.2261 -93.3604 67.2263 -85.6413 95.2845 -93.361 95.2864 -112.937 GPRESSURE: 409000 -77.2395 90.4667 -73.6826 71.1243 -62.9479 127.03 -85.1438 103.112 -69.0061 PRESSAVG: 409000 -3.85842 -52.4532 -7.65639 -52.4531 -26.0454 37.5443 -7.65643 37.5443 25.0982 GPRESSAVG: 409000 -3.54145 -51.6142 -6.07993 -53.1897 -25.8122 37.9978 -6.86071 38.3071 25.3273 TIMING: 409000 CPU: 1188.54, 0.00288563/step Wall: 1188.54, 0.00288564/step, 3.67999 hours remaining, 206.039062 MB of memory in use. ENERGY: 409000 745.5400 2052.4857 1976.6253 119.9919 -206526.7441 17832.7845 0.0000 0.0000 34230.1295 -149569.1872 298.9402 -183799.3167 -149478.7302 298.3037 -98.7920 -69.7312 557991.3700 -1.6019 -1.3421 PRESSURE: 409200 30.3731 -133.614 -98.2678 -133.615 -218.314 68.8738 -98.2678 68.8752 -144.566 GPRESSURE: 409200 82.5838 -32.6028 -28.5118 -181.615 -210.786 119.907 -135.72 64.3279 -103.26 PRESSAVG: 409200 -95.6467 -7.76727 1.87063 -7.76718 12.9119 31.5473 1.87065 31.5471 43.1166 GPRESSAVG: 409200 -97.3043 -8.01927 2.64887 -9.29089 13.3558 31.2152 1.75717 30.4335 44.224 TIMING: 409200 CPU: 1189.11, 0.00287724/step Wall: 1189.11, 0.00287725/step, 3.66913 hours remaining, 206.039062 MB of memory in use. ENERGY: 409200 776.1173 2035.3510 1968.1482 114.6043 -206724.9373 17981.7877 0.0000 0.0000 34205.4123 -149643.5165 298.7244 -183848.9288 -149544.2719 297.7864 -110.8355 -77.1543 558756.3442 -13.2061 -13.2415 PRESSURE: 409400 67.5972 -164.029 146.11 -164.027 -215.693 41.6864 146.111 41.6865 13.2656 GPRESSURE: 409400 114.937 -162.194 123.665 -177.296 -164.179 -72.4536 121.218 100.56 16.9711 PRESSAVG: 409400 -27.0253 4.50156 32.8003 4.50145 -67.3591 29.6168 32.8002 29.6166 87.3658 GPRESSAVG: 409400 -25.8859 3.14208 32.0261 6.98738 -68.6557 28.0215 32.5521 29.2772 87.9836 TIMING: 409400 CPU: 1189.69, 0.0028967/step Wall: 1189.69, 0.0028967/step, 3.69377 hours remaining, 206.039062 MB of memory in use. ENERGY: 409400 753.8506 2078.7455 2002.2375 105.8099 -206455.4557 17809.7209 0.0000 0.0000 34179.4457 -149525.6457 298.4976 -183705.0914 -149424.8777 297.5251 -44.9435 -10.7570 558674.1963 -2.3395 -2.1860 PRESSURE: 409600 107.731 -12.3818 -68.8927 -12.3808 -18.0785 152.698 -68.893 152.698 36.2513 GPRESSURE: 409600 60.4037 39.922 -60.3527 -61.4181 51.5188 230.337 15.3142 110.712 120.134 PRESSAVG: 409600 37.2494 -45.5762 -24.2745 -45.5762 -52.6652 27.0961 -24.2745 27.0961 67.8945 GPRESSAVG: 409600 36.1625 -44.0714 -24.5103 -45.2794 -49.9393 26.9244 -24.4464 27.1693 66.6312 TIMING: 409600 CPU: 1190.27, 0.00288238/step Wall: 1190.27, 0.00288238/step, 3.67536 hours remaining, 206.039062 MB of memory in use. ENERGY: 409600 767.4334 2041.9947 1985.2812 119.9385 -206435.5360 17916.0796 0.0000 0.0000 34103.6030 -149501.2055 297.8352 -183604.8085 -149412.3820 298.4642 41.9679 77.3522 557018.4912 17.4929 17.6181 PRESSURE: 409800 -148.405 70.276 73.6377 70.2758 283.297 132.533 73.6389 132.532 86.8675 GPRESSURE: 409800 -95.0685 66.0503 64.6428 40.5279 310.782 137.895 59.9444 78.2194 108.923 PRESSAVG: 409800 -61.8973 56.6513 -30.9802 56.6512 15.9251 95.0257 -30.9801 95.0256 63.7531 GPRESSAVG: 409800 -60.825 54.1668 -30.3439 56.7739 15.2444 95.2891 -30.5806 97.8079 63.0815 TIMING: 409800 CPU: 1190.85, 0.00291027/step Wall: 1190.85, 0.00291027/step, 3.71076 hours remaining, 206.039062 MB of memory in use. ENERGY: 409800 698.7436 2072.1263 1963.6343 113.9815 -206631.5279 18073.3601 0.0000 0.0000 34167.2290 -149542.4532 298.3909 -183709.6821 -149449.1609 297.9551 73.9197 108.2121 558350.2874 5.9270 5.8336 PRESSURE: 410000 -8.30789 119.304 65.3132 119.303 -154.584 150.204 65.3137 150.205 -56.5458 GPRESSURE: 410000 60.6103 133.967 68.7783 109.003 -131.707 179.122 139.028 74.4269 -50.997 PRESSAVG: 410000 -13.754 19.851 -5.42245 19.8509 18.0347 47.9386 -5.42233 47.9386 11.933 GPRESSAVG: 410000 -12.3398 19.231 -5.42224 18.9014 16.2318 50.8197 -6.29373 45.8291 12.8531 TIMING: 410000 CPU: 1191.43, 0.00291387/step Wall: 1191.43, 0.00291387/step, 3.71518 hours remaining, 206.039062 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: 410000 719.7950 1998.7569 1967.8608 109.1182 -206267.0265 17789.3242 0.0000 0.0000 34238.7107 -149443.4607 299.0152 -183682.1714 -149343.9523 297.6684 -73.1458 -40.6978 558474.0599 5.4046 5.5817 PRESSURE: 410200 137.597 -71.5807 -6.83606 -71.5804 36.0004 72.6467 -6.83721 72.6456 188.927 GPRESSURE: 410200 143.533 -35.1699 -23.6909 -87.7371 105.772 1.62308 1.33846 105.25 205.864 PRESSAVG: 410200 57.0178 29.0388 -5.62766 29.0387 -3.43436 24.6191 -5.62776 24.6191 -33.9424 GPRESSAVG: 410200 55.9983 31.0545 -6.25278 28.161 -2.16034 24.2473 -4.69962 21.947 -33.9126 TIMING: 410200 CPU: 1192.01, 0.00286638/step Wall: 1192.01, 0.00286638/step, 3.65448 hours remaining, 206.039062 MB of memory in use. ENERGY: 410200 741.6528 2070.2490 1958.2174 104.9911 -206289.0976 18074.5842 0.0000 0.0000 34071.7698 -149267.6332 297.5572 -183339.4031 -149168.6131 298.5776 120.8417 151.7228 557764.2889 6.5470 6.6418 PRESSURE: 410400 -200.422 -54.7989 -11.0556 -54.8001 -265.123 71.6047 -11.0564 71.605 159.179 GPRESSURE: 410400 -172.597 -113.662 55.5884 -8.57194 -234.972 94.9289 -55.3425 62.1839 213.394 PRESSAVG: 410400 -25.5603 -35.3664 -41.6653 -35.3664 50.1074 54.8565 -41.6652 54.8565 5.65421 GPRESSAVG: 410400 -24.775 -35.6365 -42.7753 -34.6009 49.366 53.9026 -42.2964 56.716 5.98356 TIMING: 410400 CPU: 1192.59, 0.00288812/step Wall: 1192.59, 0.00288812/step, 3.68203 hours remaining, 206.039062 MB of memory in use. ENERGY: 410400 751.4163 2072.3820 1958.3717 98.4597 -205809.0908 17747.6328 0.0000 0.0000 33947.8448 -149232.9836 296.4750 -183180.8284 -149138.6534 298.8999 -102.1219 -64.7251 559002.7864 10.0671 10.1915 PRESSURE: 410600 85.4504 125.304 -52.7244 125.305 192.733 147.956 -52.724 147.956 288.855 GPRESSURE: 410600 137.746 175.177 -22.6826 92.8801 207.684 214.867 20.0296 80.0245 318.4 PRESSAVG: 410600 -45.5648 -6.7533 -4.36192 -6.75326 -0.826136 49.7447 -4.36189 49.7448 10.158 GPRESSAVG: 410600 -45.6751 -6.34716 -1.79756 -6.76139 -0.427274 48.2086 -5.90688 51.48 10.1997 TIMING: 410600 CPU: 1193.16, 0.00289552/step Wall: 1193.16, 0.00289552/step, 3.69131 hours remaining, 206.039062 MB of memory in use. ENERGY: 410600 737.1068 2065.0253 1956.4596 127.8085 -206242.9810 17977.6238 0.0000 0.0000 34044.4228 -149334.5342 297.3184 -183378.9570 -149242.1747 298.2481 189.0128 221.2766 556345.0965 -12.0776 -11.9675 PRESSURE: 410800 61.4066 164.804 134.665 164.804 -39.9713 -118.688 134.665 -118.688 -35.2427 GPRESSURE: 410800 38.7763 127.577 230.045 132.304 75.7803 -59.1372 100.334 -218.793 -21.1722 PRESSAVG: 410800 -9.63072 -3.57178 17.0844 -3.57185 -19.5888 4.83642 17.0844 4.83645 41.8922 GPRESSAVG: 410800 -9.23397 -5.3992 15.3381 -4.42129 -19.2674 8.25991 18.1843 2.99575 40.7674 TIMING: 410800 CPU: 1193.74, 0.00289086/step Wall: 1193.74, 0.00289086/step, 3.6852 hours remaining, 206.039062 MB of memory in use. ENERGY: 410800 723.0084 2028.0742 1982.1101 102.7661 -206186.0499 17783.1972 0.0000 0.0000 34254.4165 -149312.4775 299.1523 -183566.8939 -149206.3994 298.7216 -4.6025 31.1281 556264.0907 4.2242 4.0887 PRESSURE: 411000 -92.8659 -40.3299 -136.911 -40.3285 -99.6197 47.0608 -136.909 47.0615 -163.214 GPRESSURE: 411000 -60.0649 -48.8777 -182.953 -43.0231 -134.763 34.2491 -40.9078 82.5533 -81.5491 PRESSAVG: 411000 0.0844771 -22.6274 -2.08755 -22.6274 -27.8556 -4.22542 -2.08754 -4.22541 10.9797 GPRESSAVG: 411000 -0.567836 -21.1436 -3.19469 -22.2397 -28.0675 -4.16713 -0.693158 -4.5709 12.0196 TIMING: 411000 CPU: 1194.32, 0.00288727/step Wall: 1194.32, 0.00288727/step, 3.68046 hours remaining, 206.039062 MB of memory in use. ENERGY: 411000 739.6671 2052.3406 1981.7373 104.2282 -206410.5311 17838.7536 0.0000 0.0000 34218.4809 -149475.3234 298.8385 -183693.8043 -149364.5318 298.7321 -118.5665 -92.1256 558443.4782 -5.5971 -5.5386 PRESSURE: 411200 -89.3263 109.549 -117.874 109.548 335.206 128.907 -117.875 128.907 120.055 GPRESSURE: 411200 -5.93056 97.8535 -172.629 208.408 299.052 147.528 -113.197 150.988 161.727 PRESSAVG: 411200 46.6201 -3.89945 20.6421 -3.89944 -20.1707 -70.2172 20.642 -70.2171 -53.3988 GPRESSAVG: 411200 46.5429 -6.37506 22.8461 -2.51175 -20.132 -70.4973 20.6387 -69.8284 -53.1619 TIMING: 411200 CPU: 1194.9, 0.0029033/step Wall: 1194.9, 0.0029033/step, 3.70074 hours remaining, 206.039062 MB of memory in use. ENERGY: 411200 743.4074 2029.0575 1944.2407 115.0794 -206452.9626 17932.8619 0.0000 0.0000 34114.9091 -149573.4066 297.9340 -183688.3157 -149470.6964 297.6967 121.9782 151.6162 555476.9396 -8.9831 -8.9170 PRESSURE: 411400 -148.218 78.8293 -18.3861 78.83 -184.501 131.912 -18.3854 131.911 155.08 GPRESSURE: 411400 -90.447 153.698 -115.836 102.652 -126.267 45.5907 -24.0216 193.202 130.888 PRESSAVG: 411400 9.5545 -42.0799 -31.413 -42.0799 -29.9056 15.2819 -31.4131 15.282 -33.5997 GPRESSAVG: 411400 9.83891 -39.4087 -32.4168 -41.9657 -29.7848 15.1582 -33.3378 17.0187 -33.8585 TIMING: 411400 CPU: 1195.48, 0.00291205/step Wall: 1195.48, 0.00291205/step, 3.71173 hours remaining, 206.039062 MB of memory in use. ENERGY: 411400 705.6390 2087.4089 1971.0530 100.4817 -206135.6317 17694.6632 0.0000 0.0000 34184.2837 -149392.1022 298.5399 -183576.3859 -149296.4211 297.4112 -59.2130 -28.6087 557245.2930 -17.9836 -17.9348 PRESSURE: 411600 64.3566 49.6071 -82.5815 49.6077 14.0247 -118.817 -82.5807 -118.816 34.3532 GPRESSURE: 411600 92.79 -0.0254455 -15.1668 106.491 60.8803 -40.0884 -75.336 -120.099 67.5308 PRESSAVG: 411600 -20.8002 -5.08164 -52.8887 -5.08172 28.859 -52.7105 -52.8887 -52.7106 -10.0114 GPRESSAVG: 411600 -19.8526 -5.09183 -51.272 -5.65672 29.0134 -53.0782 -52.5358 -54.0482 -11.3336 TIMING: 411600 CPU: 1196.06, 0.00289695/step Wall: 1196.06, 0.00289695/step, 3.69233 hours remaining, 206.039062 MB of memory in use. ENERGY: 411600 733.9059 2071.6101 1947.5977 121.0402 -206377.3393 17953.3633 0.0000 0.0000 34051.0179 -149498.8043 297.3760 -183549.8221 -149405.2327 297.9061 37.5781 73.7337 557990.8355 -0.6509 -0.7243 PRESSURE: 411800 34.5308 -31.5599 -45.197 -31.5601 -102.584 11.0187 -45.1971 11.0174 -136.884 GPRESSURE: 411800 38.1325 15.4109 38.8747 -71.7368 -75.6355 46.9808 6.56342 -2.21685 -80.3593 PRESSAVG: 411800 21.5779 -57.6028 -42.8288 -57.6027 1.7536 -15.97 -42.8288 -15.9701 -34.0158 GPRESSAVG: 411800 20.8814 -57.5047 -43.0541 -58.0309 0.194677 -15.3019 -42.702 -16.1964 -32.1527 TIMING: 411800 CPU: 1196.65, 0.00291568/step Wall: 1196.65, 0.00291568/step, 3.71603 hours remaining, 206.039062 MB of memory in use. ENERGY: 411800 739.7287 2011.6135 1962.4723 110.3297 -206381.2325 17720.3749 0.0000 0.0000 34344.9734 -149491.7400 299.9432 -183836.7134 -149395.9185 298.5357 -68.3123 -39.2875 556651.8185 -3.5614 -3.6922 PRESSURE: 412000 -273.618 -6.95686 -10.1018 -6.95572 -313.73 47.6541 -10.1004 47.6533 -39.6959 GPRESSURE: 412000 -225.327 -0.579607 -113.829 21.1643 -253.973 105.726 37.6221 51.6262 -46.8786 PRESSAVG: 412000 51.5409 -43.7936 22.007 -43.7936 -56.8499 -6.553 22.0069 -6.55289 -13.7654 GPRESSAVG: 412000 51.4631 -46.5897 20.1219 -40.5664 -55.6697 -5.81515 22.723 -6.06375 -15.8002 TIMING: 412000 CPU: 1197.22, 0.00289153/step Wall: 1197.22, 0.00289153/step, 3.6851 hours remaining, 206.039062 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: 412000 731.3324 2048.3253 1951.9919 111.4811 -205876.8275 17464.5812 0.0000 0.0000 34085.5865 -149483.5292 297.6779 -183569.1156 -149391.3023 298.2730 -209.0145 -175.3927 557508.2740 -6.3582 -6.6689 PRESSURE: 412200 -118.414 -36.5707 100.46 -36.5709 111.836 51.967 100.46 51.9666 -163.728 GPRESSURE: 412200 -181.84 -27.8472 101.723 -48.8834 243.053 61.9932 26.6536 7.61631 -130.597 PRESSAVG: 412200 6.93703 -6.7732 -32.7349 -6.7733 -9.38916 32.8718 -32.7349 32.8718 -27.9846 GPRESSAVG: 412200 6.1976 -4.63111 -32.0933 -9.83822 -9.44619 29.6175 -32.4038 35.4722 -27.0765 TIMING: 412200 CPU: 1197.81, 0.00291879/step Wall: 1197.81, 0.00291879/step, 3.71967 hours remaining, 206.039062 MB of memory in use. ENERGY: 412200 750.0764 2022.0151 1953.2399 108.2541 -206083.5474 17617.7915 0.0000 0.0000 34216.4491 -149415.7214 298.8208 -183632.1705 -149325.5389 298.4312 -56.7686 -23.1281 556004.9509 -10.1456 -10.1084 LDB: ============= START OF LOAD BALANCING ============== 1201.28 LDB: ============== END OF LOAD BALANCING =============== 1201.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1201.28 LDB: ============= START OF LOAD BALANCING ============== 1201.57 LDB: Largest compute 4820 load 0.028965 is 24.6% of average load 0.117518 LDB: Average compute 0.001741 is 1.5% of average load 0.117518 LDB: TIME 1201.57 LOAD: AVG 0.117518 MAX 0.176439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.816 MB LDB: TIME 1201.57 LOAD: AVG 0.117518 MAX 0.176439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.816 MB LDB: TIME 1201.57 LOAD: AVG 0.117518 MAX 0.176439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.816 MB LDB: ============== END OF LOAD BALANCING =============== 1201.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1201.58 PRESSURE: 412400 -157.376 -21.3319 -14.3893 -21.3323 29.6752 32.5368 -14.3908 32.5375 179.647 GPRESSURE: 412400 -102.486 -57.2841 8.83451 -25.5917 41.9116 -10.9028 -68.5536 161.977 212.725 PRESSAVG: 412400 -9.24117 0.896232 30.3565 0.896213 -17.0915 43.6885 30.3565 43.6883 9.24128 GPRESSAVG: 412400 -9.7315 -0.219232 29.7445 1.54796 -16.8169 45.1603 30.7194 40.1517 9.58731 TIMING: 412400 CPU: 1198.4, 0.00297607/step Wall: 1198.4, 0.00297607/step, 3.7925 hours remaining, 204.871094 MB of memory in use. ENERGY: 412400 707.9870 2079.4587 1976.9911 103.8892 -206095.8455 17788.3346 0.0000 0.0000 34318.0864 -149121.0985 299.7084 -183439.1849 -149023.7763 299.0542 17.3154 50.7170 558044.9872 -5.6971 -5.6537 PRESSURE: 412600 22.5295 5.65435 84.3919 5.6554 -544.651 -77.5712 84.3923 -77.5728 12.4673 GPRESSURE: 412600 28.2399 -17.7232 119.69 27.1678 -461.966 -103.796 89.5228 -58.145 12.7637 PRESSAVG: 412600 -15.2239 -32.1137 56.3279 -32.1137 -8.1351 44.2353 56.3279 44.2353 24.7617 GPRESSAVG: 412600 -13.903 -31.1341 57.6829 -30.6875 -9.01673 43.3108 55.2785 44.4422 23.778 TIMING: 412600 CPU: 1198.98, 0.00290397/step Wall: 1198.98, 0.00290397/step, 3.70047 hours remaining, 205.386719 MB of memory in use. ENERGY: 412600 729.9722 2066.5130 2000.4455 118.9202 -205853.7585 17509.2641 0.0000 0.0000 34345.2931 -149083.3504 299.9460 -183428.6434 -148981.0048 299.6740 -169.8847 -140.3207 558868.3837 0.4676 0.2861 PRESSURE: 412800 -216.724 15.1729 -66.2201 15.1747 -44.3748 7.56744 -66.2204 7.56629 16.4325 GPRESSURE: 412800 -176.283 63.2866 -45.5552 -4.00369 -46.1247 -4.0132 -61.9684 26.9436 68.3607 PRESSAVG: 412800 67.4056 42.0026 43.869 42.0026 -98.5979 6.54768 43.8689 6.54765 32.6512 GPRESSAVG: 412800 67.3007 42.174 45.0864 41.3965 -99.0546 7.31355 42.3192 5.6033 33.5014 TIMING: 412800 CPU: 1199.56, 0.0029038/step Wall: 1199.56, 0.0029038/step, 3.70009 hours remaining, 205.386719 MB of memory in use. ENERGY: 412800 713.8208 2053.6705 1969.3711 110.7817 -205958.7855 17684.1055 0.0000 0.0000 34386.0519 -149040.9840 300.3019 -183427.0359 -148945.3496 299.6482 -81.5555 -51.3489 558292.5856 0.4863 0.5825 PRESSURE: 413000 170.565 52.3949 90.9124 52.3937 -125.715 192.801 90.914 192.801 205.166 GPRESSURE: 413000 215.422 75.005 113.841 101.053 -83.8998 269.106 77.4 107.575 218.72 PRESSAVG: 413000 16.8633 29.5225 18.4682 29.5225 8.67046 18.8102 18.4681 18.8103 -15.0965 GPRESSAVG: 413000 17.7613 29.6638 16.8656 28.3488 7.87928 18.0787 20.3528 19.5183 -14.9604 TIMING: 413000 CPU: 1200.14, 0.00289881/step Wall: 1200.14, 0.00289881/step, 3.69357 hours remaining, 205.386719 MB of memory in use. ENERGY: 413000 717.6997 2063.2590 1977.1416 106.2490 -206055.6558 17881.3221 0.0000 0.0000 34406.2457 -148903.7388 300.4783 -183309.9845 -148805.0650 299.5277 83.3387 116.7472 558937.3469 3.4791 3.5601 PRESSURE: 413200 -69.5193 119.235 -3.26807 119.235 -326.57 -84.987 -3.26859 -84.9858 197.38 GPRESSURE: 413200 -35.6836 144.047 33.9983 98.6441 -254.591 -61.1914 -26.8627 -62.0382 205.694 PRESSAVG: 413200 -4.94955 -18.3554 59.0993 -18.3554 50.1947 17.4156 59.0992 17.4156 -13.3053 GPRESSAVG: 413200 -5.52173 -19.5856 58.9434 -17.0245 51.3 17.8815 60.0239 17.6693 -14.7168 TIMING: 413200 CPU: 1200.73, 0.00292337/step Wall: 1200.73, 0.00292337/step, 3.72469 hours remaining, 205.386719 MB of memory in use. ENERGY: 413200 776.8419 2067.4984 1969.1099 116.3457 -205569.2097 17639.1268 0.0000 0.0000 34145.6021 -148854.6848 298.2020 -183000.2870 -148759.2126 299.4384 -66.2365 -28.1934 558453.9774 10.6466 10.3538 PRESSURE: 413400 89.717 46.6528 -39.4498 46.6534 357.245 46.3966 -39.4489 46.3984 -116.997 GPRESSURE: 413400 126.152 35.7874 -22.5035 -47.0483 402.586 44.4861 -30.0501 126.829 -102.631 PRESSAVG: 413400 50.3513 -31.5567 -2.71654 -31.5567 8.55278 28.3509 -2.71647 28.3509 -18.6414 GPRESSAVG: 413400 50.3032 -31.1516 -2.91398 -33.3537 8.62968 30.1019 -2.06141 30.6557 -19.0236 TIMING: 413400 CPU: 1201.31, 0.00291966/step Wall: 1201.31, 0.00291966/step, 3.71981 hours remaining, 205.398438 MB of memory in use. ENERGY: 413400 765.3015 2074.3389 1983.9856 99.3156 -206236.1005 17969.9126 0.0000 0.0000 34378.7206 -148964.5256 300.2379 -183343.2462 -148872.6738 300.0935 109.9884 142.0356 556577.9341 13.4209 13.3031 PRESSURE: 413600 -69.0688 124.572 -65.1337 124.574 -96.0412 174.997 -65.1322 174.997 199.786 GPRESSURE: 413600 -10.9598 52.2069 -43.6947 122.219 9.95293 148.77 -29.2934 158.578 125.833 PRESSAVG: 413600 -28.7923 -12.0707 36.4668 -12.0708 2.12366 93.8798 36.4669 93.8798 50.0699 GPRESSAVG: 413600 -29.6892 -13.9984 37.2611 -11.0179 1.29616 90.4512 34.4928 93.5745 51.1711 TIMING: 413600 CPU: 1201.89, 0.0028864/step Wall: 1201.89, 0.0028864/step, 3.67728 hours remaining, 205.398438 MB of memory in use. ENERGY: 413600 754.8867 2118.3316 1965.3057 107.5047 -206220.9258 18007.2937 0.0000 0.0000 34187.5685 -149080.0348 298.5685 -183267.6033 -148984.5200 298.9761 11.5586 41.6087 557847.3838 7.8004 7.5927 PRESSURE: 413800 335.869 117.559 73.6447 117.56 -137.221 141.741 73.6448 141.742 113.737 GPRESSURE: 413800 325.045 59.5783 70.009 107.865 -95.2212 118.567 111.314 142.501 169.705 PRESSAVG: 413800 55.0277 30.5146 24.2897 30.5146 -62.1968 83.844 24.2897 83.8439 19.2231 GPRESSAVG: 413800 55.6276 33.4889 23.8796 30.8557 -62.2218 83.8289 24.3404 84.3125 18.4448 TIMING: 413800 CPU: 1202.47, 0.00288884/step Wall: 1202.47, 0.00288884/step, 3.68022 hours remaining, 205.398438 MB of memory in use. ENERGY: 413800 739.2817 2062.1162 1972.9488 116.9478 -206395.2160 18065.0574 0.0000 0.0000 34323.7301 -149115.1340 299.7577 -183438.8641 -149009.5256 299.3915 104.1283 133.1765 558693.9192 4.0180 3.9502 PRESSURE: 414000 87.8395 210.711 154.602 210.711 -23.5561 -23.3795 154.603 -23.3783 -152.471 GPRESSURE: 414000 68.5697 242.329 157.742 120.105 -22.9969 -88.8921 217.502 4.11672 -40.311 PRESSAVG: 414000 35.2737 14.661 45.6122 14.6611 -29.2513 31.5178 45.6122 31.5178 -0.429528 GPRESSAVG: 414000 34.9173 12.4731 46.9746 14.1416 -28.6291 33.2942 43.6576 28.3829 -0.941899 TIMING: 414000 CPU: 1203.04, 0.00287471/step Wall: 1203.04, 0.00287471/step, 3.66206 hours remaining, 205.398438 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: 414000 795.5145 2089.6388 1971.7499 116.3229 -206638.5880 18028.5868 0.0000 0.0000 34252.9337 -149383.8413 299.1394 -183636.7750 -149286.8719 299.2745 -29.3959 1.7540 557557.5116 1.8643 1.7821 PRESSURE: 414200 -49.1567 97.2472 -131.585 97.2465 39.9205 -217.426 -131.585 -217.426 35.8664 GPRESSURE: 414200 95.0285 31.9553 -136.28 87.0893 23.727 -270.302 -130.927 -130.746 4.59759 PRESSAVG: 414200 50.3047 30.445 28.5867 30.445 -42.8229 16.72 28.5867 16.7201 8.25827 GPRESSAVG: 414200 50.2162 31.7117 27.1875 27.8033 -43.3133 14.6304 30.5445 20.6388 9.03333 TIMING: 414200 CPU: 1203.62, 0.0028885/step Wall: 1203.62, 0.0028885/step, 3.67947 hours remaining, 205.398438 MB of memory in use. ENERGY: 414200 761.4136 2059.2723 1953.3948 94.2308 -206437.3768 17934.4502 0.0000 0.0000 34201.1778 -149433.4373 298.6874 -183634.6152 -149341.1444 298.3862 8.8767 41.1177 557515.5136 5.2467 5.3121 PRESSURE: 414400 100.467 36.6276 73.4985 36.6273 8.20504 3.46775 73.499 3.46789 -170.557 GPRESSURE: 414400 155.846 -46.025 127.71 77.3326 28.7594 3.46237 142.612 14.7013 -153.743 PRESSAVG: 414400 23.4658 50.6324 -33.503 50.6325 28.0074 -46.222 -33.503 -46.222 -44.6725 GPRESSAVG: 414400 23.0202 51.0049 -33.3548 52.4615 28.2437 -44.8478 -32.5025 -48.5074 -44.3923 TIMING: 414400 CPU: 1204.2, 0.00287914/step Wall: 1204.2, 0.00287914/step, 3.66739 hours remaining, 205.398438 MB of memory in use. ENERGY: 414400 759.3053 2108.1193 1961.6666 109.2785 -206409.1143 17758.6977 0.0000 0.0000 34331.9806 -149380.0664 299.8297 -183712.0469 -149285.0456 298.8516 -20.6284 10.2873 557076.1594 2.2669 2.2905 PRESSURE: 414600 -88.4003 -175.407 136.957 -175.408 -22.8646 -13.2907 136.957 -13.291 -29.1268 GPRESSURE: 414600 -101.757 -146.222 145.417 -113.241 55.9906 -22.9277 96.4372 -27.1473 3.40379 PRESSAVG: 414600 1.76468 25.8026 -47.6947 25.8026 -25.1281 -0.863669 -47.6947 -0.863713 39.5259 GPRESSAVG: 414600 2.87728 28.0291 -46.7734 23.8781 -24.8845 0.542887 -48.0258 -2.11334 38.5704 TIMING: 414600 CPU: 1204.77, 0.00288668/step Wall: 1204.77, 0.00288668/step, 3.67683 hours remaining, 205.398438 MB of memory in use. ENERGY: 414600 775.4564 2030.7461 1961.3056 99.0497 -206470.0643 18000.3201 0.0000 0.0000 34196.7943 -149406.3921 298.6491 -183603.1864 -149302.6671 298.1878 -46.7972 -14.1208 558046.2422 5.3875 5.5211 PRESSURE: 414800 -126.294 -21.278 -70.1581 -21.2764 -112.458 108.18 -70.1579 108.18 105.194 GPRESSURE: 414800 -51.465 -85.2064 -155.878 -72.566 -46.0817 85.7795 14.3156 114.316 72.648 PRESSAVG: 414800 -45.5305 39.1232 -32.7739 39.1232 -17.4211 44.7614 -32.7739 44.7614 44.2331 GPRESSAVG: 414800 -47.1056 37.7373 -32.3491 40.9649 -17.3581 43.6677 -34.5236 45.2809 45.0161 TIMING: 414800 CPU: 1205.35, 0.00289752/step Wall: 1205.35, 0.00289752/step, 3.69047 hours remaining, 205.398438 MB of memory in use. ENERGY: 414800 703.6325 2179.1080 1958.0515 105.4042 -206461.9150 17759.8099 0.0000 0.0000 34241.0723 -149514.8365 299.0358 -183755.9089 -149425.9117 298.7796 -44.5191 -8.2995 557855.2256 -6.2395 -6.4825 PRESSURE: 415000 -147.229 225.854 103.281 225.855 -285.263 -158.748 103.28 -158.747 65.9126 GPRESSURE: 415000 -99.5966 256.817 140.837 195.557 -234.07 -212.481 105.662 -67.0835 69.5196 PRESSAVG: 415000 -67.0827 5.20737 1.65395 5.20727 -17.6562 82.917 1.65391 82.9169 44.218 GPRESSAVG: 415000 -66.6174 4.94045 1.56164 6.4902 -19.3896 82.849 2.25852 83.1586 44.6954 TIMING: 415000 CPU: 1205.93, 0.00289098/step Wall: 1205.93, 0.00289098/step, 3.68199 hours remaining, 205.398438 MB of memory in use. ENERGY: 415000 758.6991 2071.2007 1955.1229 105.8802 -206317.7496 17818.7505 0.0000 0.0000 34034.9829 -149573.1134 297.2360 -183608.0963 -149476.8275 298.2459 -122.1931 -88.0490 556286.2380 -13.5070 -13.7705 PRESSURE: 415200 -159.519 -57.2989 -23.7517 -57.299 -176.46 96.6679 -23.7509 96.6685 52.3395 GPRESSURE: 415200 -124.616 -49.9949 8.33977 -18.795 -141.433 213.682 -142.171 60.5166 74.4229 PRESSAVG: 415200 18.4556 -6.43791 12.8359 -6.43797 -47.4233 49.2505 12.8359 49.2505 25.3351 GPRESSAVG: 415200 18.6447 -6.08987 14.0277 -9.17666 -47.6001 48.9076 12.3171 48.5052 24.9912 TIMING: 415200 CPU: 1206.51, 0.00290412/step Wall: 1206.51, 0.00290412/step, 3.69856 hours remaining, 205.398438 MB of memory in use. ENERGY: 415200 753.5590 2072.1118 1966.0757 107.2264 -206265.1643 17763.6143 0.0000 0.0000 34106.0751 -149496.5020 297.8568 -183602.5771 -149390.2135 297.7818 -94.5464 -63.8754 556928.9295 -1.2109 -1.3214 PRESSURE: 415400 -64.5914 -14.874 3.61387 -14.8734 -292.223 -67.3016 3.61518 -67.3022 -184.582 GPRESSURE: 415400 -57.6492 -58.2771 -11.4383 -17.5848 -274.866 -99.5071 48.6626 -0.46649 -104.254 PRESSAVG: 415400 -17.9881 8.25352 -45.0577 8.25356 7.75309 -23.5423 -45.0578 -23.5424 15.4625 GPRESSAVG: 415400 -18.6572 8.00996 -47.874 9.61352 7.85599 -24.0241 -45.6727 -22.9659 15.9536 TIMING: 415400 CPU: 1207.09, 0.00289126/step Wall: 1207.09, 0.00289126/step, 3.68202 hours remaining, 205.398438 MB of memory in use. ENERGY: 415400 758.2202 2158.8983 1962.6736 99.6302 -206219.7953 17652.3619 0.0000 0.0000 34239.5247 -149348.4864 299.0223 -183588.0112 -149250.0244 298.4174 -180.4655 -145.5899 556675.0315 1.7425 1.7174 PRESSURE: 415600 -93.9494 -67.3301 111.202 -67.3298 152.864 -28.4017 111.202 -28.4018 -107.416 GPRESSURE: 415600 -94.9098 11.172 129.5 -84.2682 184.3 -93.4625 99.7822 45.3954 -46.8737 PRESSAVG: 415600 -58.7192 -22.5768 -30.4473 -22.5767 24.9729 93.7191 -30.4471 93.7191 43.1556 GPRESSAVG: 415600 -57.8885 -23.4422 -29.3739 -21.7553 24.8163 93.9556 -30.459 93.6278 41.7728 TIMING: 415600 CPU: 1207.67, 0.00288779/step Wall: 1207.67, 0.00288779/step, 3.67745 hours remaining, 205.398438 MB of memory in use. ENERGY: 415600 762.5887 2104.3615 1979.1126 113.1738 -206473.7672 17786.9749 0.0000 0.0000 34355.2511 -149372.3046 300.0330 -183727.5558 -149274.7663 299.1952 -16.1671 14.1720 556234.4324 3.1364 2.9002 PRESSURE: 415800 48.9372 64.3344 -27.6378 64.3335 -89.7057 -15.504 -27.6365 -15.5042 54.9097 GPRESSURE: 415800 69.6784 58.2785 -56.9033 64.9594 4.63195 3.22317 29.8176 46.5999 42.2848 PRESSAVG: 415800 74.8639 -57.4336 -14.432 -57.4336 -22.9913 -3.44401 -14.4321 -3.44407 -71.6757 GPRESSAVG: 415800 74.4598 -57.3149 -14.6971 -58.6155 -22.5593 -2.42767 -13.5983 -2.10173 -71.7983 TIMING: 415800 CPU: 1208.25, 0.00288727/step Wall: 1208.25, 0.00288727/step, 3.67662 hours remaining, 205.398438 MB of memory in use. ENERGY: 415800 735.2006 2134.8045 1965.9797 123.4464 -206431.2659 17861.1668 0.0000 0.0000 34181.0025 -149429.6654 298.5112 -183610.6679 -149333.3934 298.3831 4.7137 38.8651 556624.9843 -6.6010 -6.6326 PRESSURE: 416000 110.113 -85.5509 33.1645 -85.551 10.5511 74.8538 33.1628 74.8525 180.189 GPRESSURE: 416000 67.6206 -135.643 11.9 24.9726 51.5929 68.0273 91.1892 61.1941 279.584 PRESSAVG: 416000 17.0358 -33.2591 -32.2481 -33.2591 -3.79594 -66.4459 -32.2481 -66.4461 23.2713 GPRESSAVG: 416000 17.052 -32.7411 -33.0512 -32.5275 -4.06496 -67.2121 -31.2422 -68.1152 23.717 TIMING: 416000 CPU: 1208.82, 0.00289333/step Wall: 1208.82, 0.00289333/step, 3.68417 hours remaining, 205.398438 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: 416000 738.5524 2086.6142 1958.6005 111.9396 -206796.1746 18041.0898 0.0000 0.0000 34302.9723 -149556.4059 299.5764 -183859.3782 -149452.3448 298.2280 100.2842 132.9323 557207.2468 12.1704 12.2347 PRESSURE: 416200 -21.4992 -34.4829 9.50316 -34.4825 -105.832 30.62 9.50454 30.6205 166.949 GPRESSURE: 416200 -27.9702 31.4709 67.1396 -28.0356 -40.4691 -30.3882 -30.2099 26.6801 208.285 PRESSAVG: 416200 -24.6871 -63.2985 20.1361 -63.2986 66.1126 -24.1029 20.1361 -24.103 -67.4511 GPRESSAVG: 416200 -24.9015 -62.69 21.6185 -64.9747 66.2302 -24.6915 18.9013 -22.3801 -67.4492 TIMING: 416200 CPU: 1209.41, 0.0029081/step Wall: 1209.41, 0.0029081/step, 3.70282 hours remaining, 205.398438 MB of memory in use. ENERGY: 416200 744.7536 2114.1237 1991.6789 118.5852 -206803.7108 18031.7888 0.0000 0.0000 34211.4108 -149591.3698 298.7768 -183802.7806 -149503.8467 298.3876 13.2062 46.6151 557323.6553 -8.6752 -8.7068 LDB: ============= START OF LOAD BALANCING ============== 1212.87 LDB: ============== END OF LOAD BALANCING =============== 1212.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1212.88 LDB: ============= START OF LOAD BALANCING ============== 1213.17 LDB: Largest compute 4820 load 0.029803 is 25.4% of average load 0.117534 LDB: Average compute 0.001746 is 1.5% of average load 0.117534 LDB: TIME 1213.17 LOAD: AVG 0.117534 MAX 0.179398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.355 MB LDB: TIME 1213.17 LOAD: AVG 0.117534 MAX 0.179398 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.414 MB LDB: TIME 1213.17 LOAD: AVG 0.117534 MAX 0.179398 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.414 MB LDB: ============== END OF LOAD BALANCING =============== 1213.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1213.18 PRESSURE: 416400 228.898 56.7171 82.8782 56.7169 -109.578 76.5997 82.8793 76.6008 34.084 GPRESSURE: 416400 235.733 -16.677 113.631 -17.2349 -97.2842 27.6003 97.2544 112.033 107.333 PRESSAVG: 416400 11.4937 54.9608 45.7972 54.9608 -50.8238 2.78647 45.7972 2.78648 32.3663 GPRESSAVG: 416400 11.599 54.7118 42.6986 56.0402 -51.1275 3.9506 47.2124 2.767 32.576 TIMING: 416400 CPU: 1210, 0.00297174/step Wall: 1210, 0.00297174/step, 3.78369 hours remaining, 205.128906 MB of memory in use. ENERGY: 416400 745.9244 2100.9854 1958.7955 114.7343 -206611.2892 17988.2395 0.0000 0.0000 34187.5747 -149515.0353 298.5686 -183702.6100 -149416.0594 298.4622 51.1347 81.9272 556193.5651 -2.3212 -2.3175 PRESSURE: 416600 -107.23 -33.1066 -33.0153 -33.1071 -122.932 -45.6338 -33.015 -45.6333 -55.9808 GPRESSURE: 416600 -84.3582 -76.7248 37.1996 45.4227 -68.2873 -76.8788 -69.4354 -114.743 -40.3619 PRESSAVG: 416600 -36.6216 -10.658 59.3574 -10.658 -34.6458 -15.2343 59.3574 -15.2343 66.598 GPRESSAVG: 416600 -36.3192 -11.2441 62.5116 -11.0268 -34.3819 -15.0233 57.1169 -17.3942 66.0968 TIMING: 416600 CPU: 1210.58, 0.00288667/step Wall: 1210.58, 0.00288667/step, 3.67521 hours remaining, 205.128906 MB of memory in use. ENERGY: 416600 760.0447 2127.1566 1954.7981 124.3016 -206319.1864 17762.8157 0.0000 0.0000 34286.7732 -149303.2965 299.4349 -183590.0697 -149197.1604 298.5973 -95.3810 -64.3358 556837.7688 -1.5565 -1.5347 PRESSURE: 416800 -180.317 -68.9448 -62.534 -68.9431 47.5618 42.4656 -62.5344 42.4653 -53.2096 GPRESSURE: 416800 -158.771 -78.325 -66.1014 -103.696 70.3479 6.03007 -108.282 72.9247 -9.08699 PRESSAVG: 416800 30.8521 33.1627 -2.15958 33.1627 1.43378 15.4563 -2.15961 15.4563 -0.221078 GPRESSAVG: 416800 29.618 34.5487 -4.4715 32.0287 2.98669 13.9814 -1.31569 17.552 -0.182685 TIMING: 416800 CPU: 1211.15, 0.00287505/step Wall: 1211.15, 0.00287505/step, 3.66026 hours remaining, 205.128906 MB of memory in use. ENERGY: 416800 752.9953 2070.1204 1991.4210 113.9014 -206270.6278 17777.3850 0.0000 0.0000 34239.8088 -149324.9960 299.0248 -183564.8048 -149224.0521 298.6961 -61.9882 -32.5032 557171.5504 10.6883 10.8073 PRESSURE: 417000 113.426 43.7656 60.7907 43.7655 67.5342 -67.775 60.7912 -67.7738 4.69523 GPRESSURE: 417000 148.95 85.4193 66.4456 26.3065 139.329 -165.981 80.9749 3.29441 -8.74824 PRESSAVG: 417000 22.3908 23.1692 -0.55122 23.1693 -4.05265 -30.9127 -0.551186 -30.9127 -43.8021 GPRESSAVG: 417000 22.7017 20.3636 0.571424 24.9727 -4.23553 -30.7205 -1.55865 -31.758 -43.6621 TIMING: 417000 CPU: 1211.73, 0.00287214/step Wall: 1211.73, 0.00287214/step, 3.65639 hours remaining, 205.128906 MB of memory in use. ENERGY: 417000 742.5898 2099.3081 1948.0320 107.5857 -206142.4661 17790.6753 0.0000 0.0000 34179.8420 -149274.4332 298.5011 -183454.2751 -149174.1266 298.9174 61.8853 93.1770 556002.6728 -8.4880 -8.3986 PRESSURE: 417200 206.729 -69.5544 20.5911 -69.5547 80.6146 -62.0645 20.5923 -62.0635 -148.919 GPRESSURE: 417200 315.28 89.4139 59.8799 -38.6327 77.0697 -82.8071 13.948 16.0911 -160.24 PRESSAVG: 417200 16.6628 -37.8614 -6.32101 -37.8614 0.0069834 28.8127 -6.32097 28.8126 -10.8434 GPRESSAVG: 417200 15.8479 -36.7719 -5.18712 -38.3273 0.452252 30.2171 -5.6383 27.8671 -10.9804 TIMING: 417200 CPU: 1212.31, 0.00289786/step Wall: 1212.31, 0.00289786/step, 3.68898 hours remaining, 205.128906 MB of memory in use. ENERGY: 417200 731.9426 2046.4856 1954.9934 119.5844 -206360.9712 17848.6116 0.0000 0.0000 34385.7496 -149273.6039 300.2993 -183659.3535 -149178.3676 298.6121 46.1415 77.3698 555848.0806 1.9421 1.7732 PRESSURE: 417400 -145.663 90.3179 106.913 90.319 179.2 -78.3355 106.912 -78.3364 400.207 GPRESSURE: 417400 -150.376 90.8748 116.067 48.737 230.016 -79.1747 53.668 -46.999 455.214 PRESSAVG: 417400 -10.5254 -18.8908 19.6063 -18.8908 12.393 18.341 19.6064 18.3408 -37.3754 GPRESSAVG: 417400 -9.55441 -20.1302 17.6679 -19.2542 11.0032 17.9251 21.7301 18.6413 -37.027 TIMING: 417400 CPU: 1212.89, 0.00291757/step Wall: 1212.89, 0.00291757/step, 3.7139 hours remaining, 205.128906 MB of memory in use. ENERGY: 417400 744.5478 2072.9007 1966.6337 114.7513 -206560.2192 18076.9767 0.0000 0.0000 34196.9180 -149387.4910 298.6502 -183584.4090 -149283.6551 299.1265 144.5812 178.2848 556396.0463 -11.8359 -11.8594 PRESSURE: 417600 -74.4752 -118.698 -104.974 -118.697 269.157 -156.129 -104.975 -156.132 12.5062 GPRESSURE: 417600 -33.1089 -84.2381 -46.3786 -203.558 270.473 -147.122 -124.636 -93.0093 72.9066 PRESSAVG: 417600 -33.2569 -116.971 -41.1449 -116.971 80.9389 18.0306 -41.1449 18.0305 -17.5824 GPRESSAVG: 417600 -32.4396 -115.021 -39.7637 -116.751 80.8053 17.4719 -40.6908 18.6597 -18.9626 TIMING: 417600 CPU: 1213.47, 0.00290745/step Wall: 1213.47, 0.00290745/step, 3.70087 hours remaining, 205.128906 MB of memory in use. ENERGY: 417600 772.9555 2125.4564 1968.1907 100.4629 -206422.6947 17959.9368 0.0000 0.0000 34270.3818 -149225.3106 299.2918 -183495.6924 -149131.3063 298.7329 69.0627 103.4237 555902.3165 10.0332 9.8010 PRESSURE: 417800 -56.3809 -120.716 -152.772 -120.716 -19.8836 81.247 -152.773 81.2467 13.423 GPRESSURE: 417800 -22.0393 -126.18 -165.371 -16.5538 -15.8131 90.4147 -188.828 99.5223 64.5621 PRESSAVG: 417800 50.5093 7.6723 3.68558 7.67233 -10.2747 42.0707 3.68558 42.0707 5.264 GPRESSAVG: 417800 48.072 6.76137 3.15798 9.2856 -9.92494 44.0038 2.05739 42.2383 6.69912 TIMING: 417800 CPU: 1214.05, 0.00290232/step Wall: 1214.05, 0.00290232/step, 3.69417 hours remaining, 205.128906 MB of memory in use. ENERGY: 417800 743.4222 2117.9972 1974.8143 125.2531 -206171.0763 17797.6827 0.0000 0.0000 34217.6176 -149194.2891 298.8310 -183411.9067 -149100.9181 299.4138 -20.9472 8.9032 558118.2473 15.1662 14.9487 PRESSURE: 418000 -115.216 54.747 15.1281 54.7465 -19.2737 55.7191 15.1277 55.7178 22.2625 GPRESSURE: 418000 -53.3139 24.8436 -67.0301 -14.1805 -10.6119 15.1797 41.0428 104.418 51.8376 PRESSAVG: 418000 -1.91193 -39.1581 3.49593 -39.1582 25.999 79.9838 3.49602 79.9838 -30.0386 GPRESSAVG: 418000 -1.1561 -40.1928 2.92605 -41.8715 26.0657 78.7292 3.59522 81.1768 -30.9344 TIMING: 418000 CPU: 1214.63, 0.00289283/step Wall: 1214.63, 0.00289283/step, 3.68193 hours remaining, 205.128906 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: 418000 748.5242 2072.7301 2003.2660 104.4613 -205965.7785 17733.3533 0.0000 0.0000 34360.3157 -148943.1279 300.0772 -183303.4436 -148844.2104 300.0427 -37.4091 -4.0294 556629.9674 -1.9838 -2.0083 PRESSURE: 418200 -97.8481 -65.2947 -84.7225 -65.2946 -36.2169 -12.8995 -84.722 -12.8994 -319.164 GPRESSURE: 418200 -86.268 -55.7012 -58.7904 -72.2084 33.5318 44.5766 -136.546 -67.0029 -301.35 PRESSAVG: 418200 -15.088 27.0826 -5.4573 27.0826 68.2345 -17.2439 -5.45726 -17.2439 -57.9063 GPRESSAVG: 418200 -14.8836 25.7576 -3.51274 28.0936 68.7801 -17.3001 -6.08864 -20.555 -58.175 TIMING: 418200 CPU: 1215.21, 0.00289331/step Wall: 1215.21, 0.00289331/step, 3.68238 hours remaining, 205.128906 MB of memory in use. ENERGY: 418200 745.6716 2061.5892 2005.4248 123.2183 -205826.1504 17735.0125 0.0000 0.0000 34193.1745 -148962.0596 298.6175 -183155.2341 -148865.2633 300.1575 -151.0765 -118.0287 557390.6875 -1.5866 -1.4262 PRESSURE: 418400 -82.2976 -131.799 46.7031 -131.8 -264.704 -12.6503 46.7047 -12.6525 -5.22169 GPRESSURE: 418400 -44.0826 -110.287 49.1851 -141.764 -222.967 -83.1101 49.0761 -24.9898 19.2779 PRESSAVG: 418400 -33.8022 -33.1374 5.19471 -33.1374 25.6479 -60.6723 5.19463 -60.6724 1.13018 GPRESSAVG: 418400 -32.4146 -30.4668 6.33962 -34.465 25.2141 -60.6606 6.14664 -59.5115 0.318749 TIMING: 418400 CPU: 1215.79, 0.00288774/step Wall: 1215.79, 0.00288774/step, 3.67513 hours remaining, 205.128906 MB of memory in use. ENERGY: 418400 737.5505 2068.7711 2010.2175 108.6560 -205766.3276 17707.7148 0.0000 0.0000 34155.2110 -148978.2068 298.2860 -183133.4178 -148878.0937 298.7472 -117.4078 -82.5906 558220.9443 -2.3414 -2.2939 PRESSURE: 418600 90.6395 47.2213 13.4662 47.2195 -0.613054 -62.9558 13.4664 -62.9545 157.958 GPRESSURE: 418600 105.441 86.7487 21.6944 38.0053 80.2164 -127.477 -8.18448 -29.1865 158.833 PRESSAVG: 418600 -20.0684 25.3938 -6.42193 25.3938 19.7277 -57.2064 -6.42194 -57.2064 12.4724 GPRESSAVG: 418600 -21.9523 25.0002 -8.62436 26.3625 21.1134 -59.0367 -7.7245 -55.4317 13.6331 TIMING: 418600 CPU: 1216.36, 0.00287091/step Wall: 1216.36, 0.00287091/step, 3.65355 hours remaining, 205.128906 MB of memory in use. ENERGY: 418600 725.6294 2064.1398 2000.1325 125.0286 -206418.9230 18042.1929 0.0000 0.0000 34428.9873 -149032.8127 300.6769 -183461.7999 -148936.1037 299.9437 82.6613 114.8301 556891.5393 4.0439 4.2647 PRESSURE: 418800 -104.929 -328.266 143.766 -328.265 56.7124 6.89121 143.765 6.8923 -178.111 GPRESSURE: 418800 -24.8909 -363.038 90.6924 -274.379 49.7365 -2.0083 107.169 -15.1783 -167.854 PRESSAVG: 418800 -36.7333 6.05247 -40.7518 6.05243 41.014 20.6086 -40.7519 20.6086 12.4594 GPRESSAVG: 418800 -35.6527 5.25252 -42.4532 5.04696 39.4294 21.4218 -39.3486 19.3084 12.8883 TIMING: 418800 CPU: 1216.94, 0.00289598/step Wall: 1216.94, 0.00289598/step, 3.6853 hours remaining, 205.128906 MB of memory in use. ENERGY: 418800 744.1340 2081.4087 2013.7078 106.1388 -206157.9555 17811.2031 0.0000 0.0000 34455.2189 -148946.1442 300.9060 -183401.3631 -148859.6245 299.6727 -75.4425 -47.6695 558828.8052 5.5800 5.5550 PRESSURE: 419000 -79.6033 -47.3815 130.703 -47.3803 -147.679 -26.2756 130.704 -26.2781 -34.0715 GPRESSURE: 419000 -32.615 -69.4625 122.223 1.795 -151.264 -1.53262 141.897 -12.6905 20.6147 PRESSAVG: 419000 -19.7765 -0.220069 11.4863 -0.219994 -45.1267 38.2783 11.4863 38.2782 30.1655 GPRESSAVG: 419000 -20.1565 -0.132577 15.4075 1.24106 -43.747 40.1639 9.61649 36.497 29.4573 TIMING: 419000 CPU: 1217.52, 0.00288517/step Wall: 1217.52, 0.00288517/step, 3.67138 hours remaining, 205.128906 MB of memory in use. ENERGY: 419000 735.5992 2100.1496 1975.5731 104.7120 -205499.4144 17600.2813 0.0000 0.0000 34034.7346 -148948.3645 297.2338 -182983.0991 -148845.8764 299.1843 -87.1179 -54.4214 558608.9408 -11.5793 -11.4821 PRESSURE: 419200 33.3457 79.0161 39.0594 79.0155 181.748 -60.1038 39.0602 -60.104 -249.369 GPRESSURE: 419200 58.9094 44.6926 7.5692 163.337 216.581 -131.047 49.4229 -27.8318 -206.527 PRESSAVG: 419200 19.1408 -15.475 -26.6883 -15.4749 -10.3277 -13.6916 -26.6884 -13.6914 -8.21102 GPRESSAVG: 419200 17.9763 -15.648 -30.0685 -13.9972 -9.7819 -15.1887 -24.3649 -11.725 -7.57804 TIMING: 419200 CPU: 1218.1, 0.00290646/step Wall: 1218.1, 0.00290646/step, 3.69831 hours remaining, 205.128906 MB of memory in use. ENERGY: 419200 745.0534 2087.2109 1975.0460 105.1458 -206196.4983 17906.5111 0.0000 0.0000 34365.0483 -149012.4827 300.1185 -183377.5310 -148908.1735 298.6431 -11.4250 22.9878 558508.1683 0.2007 0.2055 PRESSURE: 419400 46.7571 -38.9175 81.4255 -38.9175 81.5283 37.3091 81.4259 37.3091 103.946 GPRESSURE: 419400 30.3265 -77.9187 187.739 -34.5056 198.848 -40.3516 95.0604 21.9719 101.177 PRESSAVG: 419400 33.4842 36.9067 31.192 36.9067 12.3559 -34.6122 31.192 -34.6123 -24.5201 GPRESSAVG: 419400 33.7698 37.6058 33.9827 36.7232 12.0079 -34.2732 29.5337 -36.4117 -24.954 TIMING: 419400 CPU: 1218.68, 0.00288654/step Wall: 1218.68, 0.00288654/step, 3.6728 hours remaining, 205.128906 MB of memory in use. ENERGY: 419400 761.8751 2099.3891 2008.4987 96.0968 -206425.0661 18006.5908 0.0000 0.0000 34446.3424 -149006.2730 300.8285 -183452.6154 -148910.5832 299.6974 77.4103 110.1171 558521.0986 7.1067 6.9412 PRESSURE: 419600 -121.914 -36.3285 54.822 -36.3276 -340.692 -44.1157 54.8207 -44.1166 95.3497 GPRESSURE: 419600 -66.702 -50.7129 101.234 79.3318 -312.707 -114.107 55.841 -56.2596 105.762 PRESSAVG: 419600 -9.30993 -6.80473 74.5842 -6.80478 39.0478 -22.2098 74.5842 -22.2099 -23.477 GPRESSAVG: 419600 -9.76128 -5.28583 74.7767 -7.6798 39.3169 -24.9168 73.5958 -19.7573 -22.956 TIMING: 419600 CPU: 1219.26, 0.00290827/step Wall: 1219.26, 0.00290827/step, 3.70029 hours remaining, 205.128906 MB of memory in use. ENERGY: 419600 771.7608 2095.8496 2003.2436 116.5063 -205925.1334 17683.1429 0.0000 0.0000 34256.4369 -148998.1934 299.1700 -183254.6303 -148903.7460 299.9999 -122.4186 -91.2156 558845.6907 2.0870 2.1999 PRESSURE: 419800 7.3074 69.3473 291.546 69.3474 -185.517 19.6383 291.545 19.6382 154.394 GPRESSURE: 419800 80.699 96.0863 289.148 31.6255 -163.679 -49.8332 277.63 38.0577 150.231 PRESSAVG: 419800 -8.25053 43.4647 87.7953 43.4648 -68.5765 -32.3915 87.7954 -32.3915 16.0018 GPRESSAVG: 419800 -7.73733 43.5349 85.8854 43.1831 -67.845 -29.0811 87.7312 -31.9396 14.9277 TIMING: 419800 CPU: 1219.84, 0.00289048/step Wall: 1219.84, 0.00289048/step, 3.67749 hours remaining, 205.128906 MB of memory in use. ENERGY: 419800 779.4434 2111.7411 1987.9508 110.9035 -206263.7071 17876.5030 0.0000 0.0000 34370.8175 -149026.3478 300.1689 -183397.1654 -148932.7941 299.7258 -7.9383 22.4169 557393.4801 -20.2751 -20.2182 PRESSURE: 420000 110.488 16.2779 -36.0569 16.2776 -107.114 36.1295 -36.0565 36.1309 -205.304 GPRESSURE: 420000 146.627 29.1655 15.4948 24.2444 -143.463 59.1356 -23.5755 71.8374 -119.177 PRESSAVG: 420000 1.93505 0.802961 68.3386 0.802867 41.257 10.2442 68.3385 10.2441 -27.3148 GPRESSAVG: 420000 3.40332 0.307886 68.9248 2.3964 40.0338 9.00543 68.2731 10.125 -27.6398 TIMING: 420000 CPU: 1220.41, 0.0028767/step Wall: 1220.41, 0.0028767/step, 3.6598 hours remaining, 205.128906 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: 420000 763.7624 2058.9880 1999.3868 117.1837 -206029.2364 17813.2628 0.0000 0.0000 34191.6798 -149084.9730 298.6044 -183276.6528 -148994.3975 300.3213 -67.3103 -38.6710 558583.6708 5.2924 5.2658 PRESSURE: 420200 -97.8883 77.6996 130.777 77.7001 -46.1289 57.1144 130.778 57.1143 -20.7601 GPRESSURE: 420200 -126.499 36.4119 108.344 85.638 41.0342 53.6111 45.4847 51.7335 24.7809 PRESSAVG: 420200 49.4098 30.8892 36.3358 30.8893 -19.9662 -15.6151 36.3356 -15.615 -33.3592 GPRESSAVG: 420200 49.3386 29.8002 34.8222 29.5404 -20.2211 -16.293 38.1994 -16.3947 -33.1025 TIMING: 420200 CPU: 1220.98, 0.00286554/step Wall: 1220.98, 0.00286554/step, 3.64544 hours remaining, 205.128906 MB of memory in use. ENERGY: 420200 739.3720 2037.3070 1996.5891 117.4337 -205885.3977 17577.9220 0.0000 0.0000 34261.6489 -149155.1250 299.2155 -183416.7739 -149057.3382 299.7467 -54.9258 -20.2281 557345.8842 -1.3052 -1.3283 LDB: ============= START OF LOAD BALANCING ============== 1224.45 LDB: ============== END OF LOAD BALANCING =============== 1224.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1224.45 LDB: ============= START OF LOAD BALANCING ============== 1224.74 LDB: Largest compute 4820 load 0.028364 is 24.1% of average load 0.117461 LDB: Average compute 0.001738 is 1.5% of average load 0.117461 LDB: TIME 1224.74 LOAD: AVG 0.117461 MAX 0.176098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.453 MB LDB: TIME 1224.74 LOAD: AVG 0.117461 MAX 0.176098 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.453 MB LDB: TIME 1224.74 LOAD: AVG 0.117461 MAX 0.176098 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1224.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1224.74 PRESSURE: 420400 -318.028 -46.9578 90.9699 -46.9585 5.49644 34.5745 90.9698 34.5754 -41.8467 GPRESSURE: 420400 -261.389 -40.0057 70.2534 -68.3859 26.6262 102.245 79.5156 -8.95199 -26.3791 PRESSAVG: 420400 15.1075 -35.3138 28.228 -35.3138 9.21211 41.0114 28.228 41.0114 -13.9174 GPRESSAVG: 420400 14.7192 -35.6931 29.851 -34.7499 9.72921 44.7543 25.3706 40.1244 -14.3744 TIMING: 420400 CPU: 1221.57, 0.00292607/step Wall: 1221.57, 0.00292607/step, 3.72229 hours remaining, 204.804688 MB of memory in use. ENERGY: 420400 760.4539 2038.1169 1982.5286 121.3467 -206236.9287 17759.6516 0.0000 0.0000 34412.0186 -149162.8124 300.5287 -183574.8310 -149065.9375 299.5524 -118.1260 -87.0473 556450.7908 3.4674 3.3580 PRESSURE: 420600 54.4885 -109.106 92.09 -109.106 -365.908 -84.9329 92.0897 -84.9349 -19.0687 GPRESSURE: 420600 78.4953 -99.942 77.6531 -80.9583 -359.512 12.7759 95.0686 -77.607 50.0883 PRESSAVG: 420600 -16.5931 24.9789 -3.79602 24.979 -52.2541 64.2558 -3.79603 64.2557 79.4866 GPRESSAVG: 420600 -17.0529 25.0107 -4.90295 23.9145 -52.5517 63.1608 -1.33852 63.6879 79.7432 TIMING: 420600 CPU: 1222.15, 0.00289325/step Wall: 1222.15, 0.00289325/step, 3.68037 hours remaining, 205.007812 MB of memory in use. ENERGY: 420600 761.8288 2071.5321 1983.2935 118.2635 -206236.9452 17715.6355 0.0000 0.0000 34245.8222 -149340.5696 299.0773 -183586.3918 -149240.8279 299.5596 -110.1626 -76.9761 556927.6022 3.5465 3.3795 PRESSURE: 420800 -250.004 120.278 8.99561 120.278 -110.804 13.9202 8.99601 13.9209 -281.589 GPRESSURE: 420800 -195.502 43.6675 4.45669 104.116 -110.523 -13.5078 94.4047 67.6254 -246.825 PRESSAVG: 420800 -8.06855 4.5488 -25.3143 4.54873 -28.3287 -7.61385 -25.3142 -7.61378 44.5652 GPRESSAVG: 420800 -9.91656 5.4789 -22.7558 4.78813 -27.1762 -9.49426 -28.266 -6.78785 44.715 TIMING: 420800 CPU: 1222.72, 0.00288165/step Wall: 1222.72, 0.00288165/step, 3.66545 hours remaining, 205.007812 MB of memory in use. ENERGY: 420800 775.0845 2034.2129 1984.1338 137.7881 -205845.4787 17483.9790 0.0000 0.0000 34098.8205 -149331.4599 297.7935 -183430.2805 -149226.0484 298.8823 -214.1322 -184.2832 557106.2751 2.7227 2.5407 PRESSURE: 421000 -102.911 -35.3788 -201.712 -35.3798 -148.321 -14.4158 -201.713 -14.417 -79.9958 GPRESSURE: 421000 -55.8788 -38.8097 -201.036 -2.99936 -62.5225 -111.687 -134.629 57.7068 -118.599 PRESSAVG: 421000 -57.9641 -25.769 -5.00599 -25.769 -8.27237 -29.9281 -5.00598 -29.928 85.7109 GPRESSAVG: 421000 -56.8795 -25.7313 -6.03328 -26.2991 -8.14971 -28.4799 -3.37583 -29.7864 84.798 TIMING: 421000 CPU: 1223.3, 0.00287618/step Wall: 1223.3, 0.00287618/step, 3.65834 hours remaining, 205.007812 MB of memory in use. ENERGY: 421000 770.2253 2088.1582 1970.8226 115.1168 -205928.4401 17567.6425 0.0000 0.0000 33996.9707 -149419.5041 296.9040 -183416.4748 -149319.1838 298.4485 -110.4091 -79.0000 557011.8712 6.4915 6.5896 PRESSURE: 421200 -62.7982 32.3046 39.5557 32.3041 96.7542 14.1148 39.555 14.1128 -90.0442 GPRESSURE: 421200 -66.6356 -80.3644 69.4242 69.69 119.767 -94.0904 13.3474 1.50012 -15.8523 PRESSAVG: 421200 -30.3934 -16.1801 -8.6566 -16.1801 8.83271 44.6454 -8.65651 44.6453 77.0352 GPRESSAVG: 421200 -28.3323 -16.8271 -9.32592 -15.075 7.06486 43.6306 -7.92893 44.2245 77.1329 TIMING: 421200 CPU: 1223.88, 0.00288623/step Wall: 1223.88, 0.00288623/step, 3.67097 hours remaining, 205.007812 MB of memory in use. ENERGY: 421200 740.8119 2116.7932 1988.7973 109.1961 -206388.7458 17777.1609 0.0000 0.0000 34218.0886 -149437.8977 298.8351 -183655.9864 -149349.6754 298.5666 -18.6961 12.4263 556353.1942 18.4915 18.6218 PRESSURE: 421400 -197.729 30.3552 -115.592 30.356 -215.289 132.665 -115.593 132.667 -115.875 GPRESSURE: 421400 -191.492 71.8628 -124.816 28.5595 -213.465 67.9117 -155.609 179.629 -41.4887 PRESSAVG: 421400 -13.7635 -10.2444 29.1057 -10.2445 3.16485 9.38096 29.1056 9.38101 4.82813 GPRESSAVG: 421400 -14.7085 -10.3517 29.7255 -10.4727 3.10995 9.97482 29.0076 8.35955 5.61241 TIMING: 421400 CPU: 1224.46, 0.00289397/step Wall: 1224.46, 0.00289397/step, 3.68065 hours remaining, 205.007812 MB of memory in use. ENERGY: 421400 732.1428 2113.7444 1985.8245 121.2375 -206010.1037 17575.9447 0.0000 0.0000 34054.9865 -149426.2232 297.4107 -183481.2097 -149335.0799 298.0186 -176.2978 -148.8153 557928.9589 -1.9235 -1.9954 PRESSURE: 421600 -267.034 29.9049 -60.3279 29.9041 -257.447 -112.562 -60.3287 -112.562 169.926 GPRESSURE: 421600 -171.416 20.3913 -85.2906 30.8461 -204.618 -142.635 -77.0588 -43.838 113.776 PRESSAVG: 421600 37.905 -6.61614 0.897761 -6.61618 -27.2598 -41.3351 0.89782 -41.3351 19.0405 GPRESSAVG: 421600 35.9647 -5.18382 0.101046 -6.37907 -24.9708 -41.1935 0.864448 -40.3995 18.3146 TIMING: 421600 CPU: 1225.04, 0.00290024/step Wall: 1225.04, 0.00290024/step, 3.68846 hours remaining, 205.007812 MB of memory in use. ENERGY: 421600 752.6773 2100.5655 2002.5529 121.6925 -206260.6977 17792.4835 0.0000 0.0000 34340.5160 -149150.2100 299.9043 -183490.7261 -149049.2468 299.1564 -118.1850 -87.4191 557251.4922 9.8952 9.7695 PRESSURE: 421800 28.5219 -171.777 -60.8665 -171.775 -121.64 -30.7618 -60.8656 -30.7614 1.05725 GPRESSURE: 421800 -2.58109 -143.75 -71.9631 -222.812 -67.8755 -121.495 -7.3293 10.3293 59.4213 PRESSAVG: 421800 -22.858 -13.1056 -48.8582 -13.1057 76.296 -16.1643 -48.8582 -16.1644 -50.1511 GPRESSAVG: 421800 -21.1831 -12.1919 -48.3068 -13.7258 72.9086 -16.0451 -49.4694 -15.4807 -48.6959 TIMING: 421800 CPU: 1225.62, 0.0028995/step Wall: 1225.62, 0.00289951/step, 3.68736 hours remaining, 205.007812 MB of memory in use. ENERGY: 421800 750.8366 2075.8427 1968.3524 108.5807 -206284.5742 17878.3847 0.0000 0.0000 34242.9737 -149259.6033 299.0524 -183502.5770 -149162.9648 299.0815 -30.6869 -3.6784 557741.2925 1.0956 1.0099 PRESSURE: 422000 63.4957 -292.137 114.927 -292.137 218.493 -44.8699 114.927 -44.8686 226.716 GPRESSURE: 422000 88.0447 -317.086 200.717 -312.129 219.831 48.0491 80.7497 -74.2155 296.409 PRESSAVG: 422000 8.40603 -71.6688 -19.071 -71.6689 30.3899 -5.9425 -19.071 -5.94243 -27.8457 GPRESSAVG: 422000 7.78249 -73.4212 -18.9563 -71.4301 31.9082 -5.95152 -19.3515 -6.76287 -28.5047 TIMING: 422000 CPU: 1226.19, 0.00289523/step Wall: 1226.19, 0.00289523/step, 3.68176 hours remaining, 205.007812 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: 422000 765.9020 2061.8350 1980.2749 112.4674 -206823.0318 18256.1545 0.0000 0.0000 34284.1249 -149362.2729 299.4118 -183646.3978 -149262.3307 298.5378 169.5681 201.4280 556924.8262 3.6501 3.7287 PRESSURE: 422200 -130.154 -38.0491 -40.1257 -38.0489 134.938 140.846 -40.1255 140.847 15.2207 GPRESSURE: 422200 -116.209 -14.5147 -123.17 -122.078 151.58 71.432 27.1901 176.503 75.7473 PRESSAVG: 422200 3.60797 5.79119 -24.1867 5.79117 20.2914 -55.6381 -24.1867 -55.6381 -2.61128 GPRESSAVG: 422200 2.7528 5.88466 -25.697 7.35363 21.22 -57.9074 -20.6267 -55.8101 -2.46956 TIMING: 422200 CPU: 1226.77, 0.0028919/step Wall: 1226.77, 0.0028919/step, 3.67737 hours remaining, 205.007812 MB of memory in use. ENERGY: 422200 762.3608 2074.3275 1974.2133 106.5725 -206296.7009 17920.8249 0.0000 0.0000 34327.6730 -149130.7289 299.7921 -183458.4019 -149033.5211 299.2545 6.6682 37.0395 557533.9184 7.0960 7.1677 PRESSURE: 422400 114.836 -90.5935 -90.0305 -90.5933 -259.579 -72.5203 -90.0292 -72.5205 -11.2376 GPRESSURE: 422400 144.718 -40.9744 -7.85709 -25.716 -249.421 -21.2991 -18.6951 -3.09708 34.8506 PRESSAVG: 422400 12.4267 -41.2262 -33.3622 -41.2261 -19.0915 -23.8516 -33.3622 -23.8517 18.9523 GPRESSAVG: 422400 14.191 -43.2121 -31.7057 -39.0687 -20.0097 -21.9076 -35.55 -23.9781 18.4076 TIMING: 422400 CPU: 1227.35, 0.00287753/step Wall: 1227.35, 0.00287753/step, 3.65893 hours remaining, 205.007812 MB of memory in use. ENERGY: 422400 771.1041 2056.7007 1977.2530 111.4325 -206221.0090 17864.6852 0.0000 0.0000 34211.0555 -149228.7779 298.7737 -183439.8334 -149139.9173 298.7922 -51.9935 -23.2842 558829.5367 4.0958 4.1963 PRESSURE: 422600 1.21643 36.6526 39.9988 36.6535 -197.241 -99.8377 39.9991 -99.8381 137.743 GPRESSURE: 422600 -8.26255 61.6192 98.9652 16.0954 -122.966 -177.078 66.1488 -102.293 180.329 PRESSAVG: 422600 9.30398 -10.4336 32.512 -10.4336 -28.8699 -13.4781 32.512 -13.4781 35.9551 GPRESSAVG: 422600 10.0359 -8.49816 29.4073 -13.5749 -30.4521 -14.7696 33.2281 -11.7777 36.6058 TIMING: 422600 CPU: 1227.93, 0.00288818/step Wall: 1227.93, 0.00288818/step, 3.67232 hours remaining, 205.007812 MB of memory in use. ENERGY: 422600 718.8127 2018.8841 1997.5844 120.7667 -206423.2514 17940.6282 0.0000 0.0000 34306.8001 -149319.7752 299.6098 -183626.5753 -149224.9560 299.3354 -19.4274 16.3666 558055.0731 5.4631 5.3965 PRESSURE: 422800 -39.4913 -24.0832 89.9342 -24.0837 256.831 188.502 89.9347 188.501 159.076 GPRESSURE: 422800 44.65 -65.8526 20.3729 25.8491 286.1 198.102 84.9622 247.534 130.003 PRESSAVG: 422800 -22.305 -2.02025 -16.3213 -2.02033 13.1336 40.1226 -16.3213 40.1226 26.5132 GPRESSAVG: 422800 -23.6235 -0.961114 -13.7358 -2.43364 13.598 43.3025 -18.6277 38.9253 27.2221 TIMING: 422800 CPU: 1228.51, 0.00289707/step Wall: 1228.51, 0.00289707/step, 3.68347 hours remaining, 205.007812 MB of memory in use. ENERGY: 422800 736.9984 2060.8494 1988.8931 114.5535 -206313.3110 17961.0628 0.0000 0.0000 33993.6559 -149457.2977 296.8751 -183450.9537 -149359.7324 298.8471 125.4719 153.5843 557677.7056 5.7806 5.7322 PRESSURE: 423000 -279.013 71.6828 -63.2868 71.6821 -247.62 41.4419 -63.2871 41.4395 -122.679 GPRESSURE: 423000 -222.481 107.369 30.0467 -28.3494 -208.719 -42.8835 -105.089 109.827 -127.742 PRESSAVG: 423000 -40.904 -11.5287 18.6962 -11.5286 43.1889 39.6238 18.6963 39.6238 4.29982 GPRESSAVG: 423000 -39.7138 -12.4155 17.2921 -11.9577 42.5612 38.0757 17.2219 39.8497 3.90626 TIMING: 423000 CPU: 1229.08, 0.00287616/step Wall: 1229.08, 0.00287616/step, 3.65672 hours remaining, 205.007812 MB of memory in use. ENERGY: 423000 706.4806 2074.4224 1977.5155 115.2677 -206035.6978 17578.5253 0.0000 0.0000 34065.6529 -149517.8334 297.5038 -183583.4863 -149415.8348 298.0789 -216.4373 -186.3141 559113.9864 2.1949 2.2512 PRESSURE: 423200 179.677 69.5637 -0.660575 69.5638 88.8572 73.8058 -0.659425 73.8055 149.486 GPRESSURE: 423200 206.593 36.416 62.4431 102.252 180.046 45.9318 -47.6531 98.5221 116.782 PRESSAVG: 423200 -24.2598 29.6885 -45.3942 29.6883 -13.313 -21.9394 -45.3941 -21.9393 61.2772 GPRESSAVG: 423200 -25.3367 30.4186 -44.2149 30.1109 -11.7401 -22.2541 -45.5275 -21.543 60.635 TIMING: 423200 CPU: 1229.66, 0.00288201/step Wall: 1229.66, 0.00288201/step, 3.66399 hours remaining, 205.007812 MB of memory in use. ENERGY: 423200 706.4299 2099.4858 1994.5160 121.2981 -206582.4579 18113.0147 0.0000 0.0000 34093.5534 -149454.1601 297.7475 -183547.7135 -149355.3977 298.0438 139.3401 167.8071 556456.3594 7.9014 7.8527 PRESSURE: 423400 409.463 -49.5035 -110.537 -49.5042 -156.163 -82.7978 -110.538 -82.7982 47.3063 GPRESSURE: 423400 401.831 -75.2876 -151.585 -85.1506 -136.646 -94.8039 -17.7363 -107.391 114.735 PRESSAVG: 423400 -5.77275 31.452 -61.3743 31.4521 8.57766 -35.2929 -61.3744 -35.2928 3.60301 GPRESSAVG: 423400 -5.26813 31.1117 -62.2727 32.158 6.92982 -35.0461 -58.547 -34.4015 4.98043 TIMING: 423400 CPU: 1230.24, 0.0029033/step Wall: 1230.24, 0.0029033/step, 3.6909 hours remaining, 205.007812 MB of memory in use. ENERGY: 423400 748.2666 2136.5091 1989.7073 111.9224 -206646.9980 18105.3073 0.0000 0.0000 34218.3647 -149336.9206 298.8375 -183555.2854 -149247.1123 298.5193 100.2019 126.6401 556937.1701 2.1360 2.2140 PRESSURE: 423600 -95.8985 -180.957 -159.644 -180.958 -264.94 -92.7065 -159.642 -92.7074 17.1613 GPRESSURE: 423600 -39.2126 -222.107 -179.594 -172.334 -271.461 -122.381 -230.488 -128.834 63.1559 PRESSAVG: 423600 -0.00147476 -1.06854 56.2976 -1.06843 -50.8206 -34.1198 56.2977 -34.1198 62.6989 GPRESSAVG: 423600 -0.895875 -1.93441 55.0648 -1.82758 -49.406 -32.1349 56.1414 -34.1362 62.6184 TIMING: 423600 CPU: 1230.82, 0.00290479/step Wall: 1230.82, 0.00290479/step, 3.69263 hours remaining, 205.007812 MB of memory in use. ENERGY: 423600 736.6740 2091.7276 1990.4648 102.8064 -205944.9709 17599.3566 0.0000 0.0000 34219.1068 -149204.8348 298.8440 -183423.9416 -149108.5097 299.3007 -114.5591 -82.5060 557867.7287 3.9589 4.1055 PRESSURE: 423800 123.082 34.9148 125.576 34.9154 54.7617 215.783 125.575 215.784 -83.0774 GPRESSURE: 423800 141.38 59.7722 97.0912 -3.59992 50.3826 100.249 205.789 284.086 -0.462215 PRESSAVG: 423800 -6.13575 -29.9644 -32.6353 -29.9643 -5.82417 20.658 -32.6353 20.6579 2.11958 GPRESSAVG: 423800 -6.54552 -29.3132 -30.7034 -30.6339 -5.34121 17.6008 -34.7178 19.7516 2.42097 TIMING: 423800 CPU: 1231.4, 0.00292868/step Wall: 1231.4, 0.00292868/step, 3.72283 hours remaining, 205.007812 MB of memory in use. ENERGY: 423800 755.3667 2017.5175 2005.0889 108.7486 -206274.1479 17896.4974 0.0000 0.0000 34321.0530 -149169.8757 299.7343 -183490.9287 -149080.6066 299.0195 31.5889 63.7669 556254.2207 -3.2801 -3.1553 PRESSURE: 424000 -192.051 11.7708 15.7441 11.7703 -153.594 -140.543 15.7433 -140.542 -74.8169 GPRESSURE: 424000 -201.919 -0.324751 0.554808 -22.9772 -79.5839 -169.6 49.9906 -76.6316 -35.1152 PRESSAVG: 424000 -49.8295 19.158 -7.15978 19.158 55.2548 7.23656 -7.15979 7.23663 5.50789 GPRESSAVG: 424000 -48.1699 18.906 -7.61203 20.6632 54.2501 7.23197 -5.96336 6.03171 4.35348 TIMING: 424000 CPU: 1231.99, 0.00291489/step Wall: 1231.99, 0.00291489/step, 3.70514 hours remaining, 205.007812 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: 424000 781.7248 2127.9805 1978.5530 116.4085 -206028.2342 17688.5324 0.0000 0.0000 34312.1740 -149022.8609 299.6567 -183335.0349 -148930.1597 299.5448 -140.1543 -105.5395 558257.9057 3.6444 3.4779 PRESSURE: 424200 65.7882 22.5633 -30.4171 22.564 -19.4976 14.0505 -30.4171 14.0493 -122.205 GPRESSURE: 424200 54.339 -17.9103 -65.4282 75.2153 61.1592 84.9775 -35.5336 29.5938 -99.362 PRESSAVG: 424200 -2.55547 28.2496 48.6129 28.2496 -3.21377 -0.121454 48.6129 -0.121276 51.1372 GPRESSAVG: 424200 -2.75503 27.8705 46.8425 27.6797 -2.13751 3.04007 48.6345 -0.0108274 50.3023 TIMING: 424200 CPU: 1232.57, 0.00291299/step Wall: 1232.57, 0.00291299/step, 3.70257 hours remaining, 205.199219 MB of memory in use. ENERGY: 424200 788.8120 2092.4934 1996.0582 115.9233 -205787.1473 17684.8011 0.0000 0.0000 33964.2209 -149144.8383 296.6180 -183109.0592 -149049.6158 299.7269 -25.3048 5.3787 557733.1685 15.1226 15.1366 LDB: ============= START OF LOAD BALANCING ============== 1236.04 LDB: ============== END OF LOAD BALANCING =============== 1236.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1236.04 LDB: ============= START OF LOAD BALANCING ============== 1236.33 LDB: Largest compute 4820 load 0.027587 is 23.5% of average load 0.117627 LDB: Average compute 0.001723 is 1.5% of average load 0.117627 LDB: TIME 1236.33 LOAD: AVG 0.117627 MAX 0.179765 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.195 MB LDB: TIME 1236.33 LOAD: AVG 0.117627 MAX 0.179765 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: TIME 1236.33 LOAD: AVG 0.117627 MAX 0.179765 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1236.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1236.34 PRESSURE: 424400 -195.289 95.9686 65.9696 95.9697 3.76056 -13.7282 65.9689 -13.728 -278.322 GPRESSURE: 424400 -137.913 66.2753 91.0994 109.924 58.3091 -91.1022 -17.4954 23.0983 -281.83 PRESSAVG: 424400 -11.2746 9.3661 -7.06527 9.36616 48.4777 -4.21348 -7.06524 -4.21345 -12.9106 GPRESSAVG: 424400 -12.9726 10.0478 -3.75058 9.61739 48.5903 -6.85438 -7.9006 -3.63606 -11.6979 TIMING: 424400 CPU: 1233.16, 0.0029511/step Wall: 1233.16, 0.0029511/step, 3.75084 hours remaining, 205.457031 MB of memory in use. ENERGY: 424400 747.1245 2109.0253 2001.5413 104.6349 -206135.1274 17754.0296 0.0000 0.0000 34269.5168 -149149.2551 299.2842 -183418.7719 -149047.4090 299.3206 -156.6168 -120.4779 559813.4558 8.0975 7.9733 PRESSURE: 424600 -210.98 -17.0616 137.557 -17.0618 116.573 94.1326 137.558 94.1312 -139.619 GPRESSURE: 424600 -190.73 -71.5919 139.435 31.0671 172.769 146.572 47.057 76.7753 -117.032 PRESSAVG: 424600 -47.7571 8.293 16.7943 8.293 71.4713 10.2154 16.7944 10.2153 -35.0411 GPRESSAVG: 424600 -46.0294 6.88835 14.1126 6.52207 70.9283 7.99526 17.4664 11.4756 -36.6872 TIMING: 424600 CPU: 1233.74, 0.00288639/step Wall: 1233.74, 0.00288639/step, 3.66844 hours remaining, 205.656250 MB of memory in use. ENERGY: 424600 787.4190 2113.9780 1985.8707 120.2916 -206249.1691 17742.0869 0.0000 0.0000 34405.3610 -149094.1620 300.4706 -183499.5230 -148991.9863 299.5515 -78.0087 -44.9978 558614.7911 -3.7756 -3.9294 PRESSURE: 424800 37.5311 -198.633 -195.285 -198.633 190.881 -109.442 -195.286 -109.443 -28.1931 GPRESSURE: 424800 37.6913 -132.976 -172.048 -300.869 185.996 -142.719 -188.423 -143.197 78.5157 PRESSAVG: 424800 12.7581 -63.9545 41.857 -63.9545 -15.3368 -1.53407 41.857 -1.53412 -6.31493 GPRESSAVG: 424800 10.9052 -62.8969 44.0729 -62.4255 -14.5589 0.569199 42.5159 -1.28683 -4.92626 TIMING: 424800 CPU: 1234.32, 0.00289911/step Wall: 1234.32, 0.00289911/step, 3.68445 hours remaining, 205.656250 MB of memory in use. ENERGY: 424800 727.7734 2148.1946 1975.8022 129.9958 -206093.4792 17801.9191 0.0000 0.0000 34346.1602 -148963.6340 299.9536 -183309.7942 -148867.3489 299.3711 66.7396 100.7342 558535.0680 -2.9645 -2.8600 PRESSURE: 425000 -227.746 -15.2586 -79.6845 -15.2596 -44.8238 130.249 -79.6853 130.248 188.958 GPRESSURE: 425000 -228.988 -26.2472 -72.4696 -49.2902 57.7918 108.894 -134.672 183.542 171.728 PRESSAVG: 425000 27.3455 19.2888 30.1745 19.2888 -28.7947 -6.1423 30.1744 -6.14226 2.87368 GPRESSAVG: 425000 26.9125 17.8762 29.9694 18.8573 -28.157 -5.40511 29.4339 -6.88592 2.92687 TIMING: 425000 CPU: 1234.9, 0.00289143/step Wall: 1234.9, 0.00289143/step, 3.67453 hours remaining, 205.656250 MB of memory in use. ENERGY: 425000 769.9477 2102.8447 1961.7644 112.7576 -205821.0300 17561.7265 0.0000 0.0000 34335.2323 -148976.7567 299.8581 -183311.9890 -148878.1765 299.8649 -27.8704 0.1775 556352.8578 0.4748 0.5608 PRESSURE: 425200 210.809 4.00201 23.2349 4.00233 -166.7 -42.6146 23.2354 -42.6142 -54.7216 GPRESSURE: 425200 230.16 -7.21397 5.94711 23.8968 -80.1541 -136.444 -40.9612 -23.8063 -50.3482 PRESSAVG: 425200 46.3621 -21.906 -35.5523 -21.906 -35.1296 -39.8176 -35.5524 -39.8176 17.2878 GPRESSAVG: 425200 47.2786 -19.6402 -37.6704 -22.4283 -35.9013 -40.9277 -35.486 -39.0425 16.8079 TIMING: 425200 CPU: 1235.47, 0.00287976/step Wall: 1235.47, 0.00287976/step, 3.65954 hours remaining, 205.726562 MB of memory in use. ENERGY: 425200 741.8977 2072.1904 1977.1157 114.8822 -206219.9985 18072.2686 0.0000 0.0000 34107.5089 -149134.1351 297.8694 -183241.6440 -149039.7698 299.1199 -3.5373 33.2194 558910.9917 9.5067 9.3951 PRESSURE: 425400 -3.71722 -25.3518 106.266 -25.3526 423.308 -12.0459 106.267 -12.0476 -18.7717 GPRESSURE: 425400 12.7751 -109.114 96.658 -15.3501 429.603 9.05154 102.963 -43.1476 39.5983 PRESSAVG: 425400 -60.4209 6.89492 11.9116 6.89479 -33.2545 1.74933 11.9116 1.7492 44.5987 GPRESSAVG: 425400 -60.2761 5.67513 11.9719 7.83295 -33.2106 4.40793 12.7647 -0.850865 44.4673 TIMING: 425400 CPU: 1236.05, 0.00290094/step Wall: 1236.05, 0.00290094/step, 3.68629 hours remaining, 205.726562 MB of memory in use. ENERGY: 425400 689.1985 2186.2007 1981.9112 126.5231 -206245.6974 17967.1442 0.0000 0.0000 34196.2783 -149098.4413 298.6446 -183294.7196 -149002.8451 299.4036 133.6063 160.6588 557441.9296 -16.3589 -16.3398 PRESSURE: 425600 8.44189 267.32 127.572 267.319 109.09 -3.03395 127.572 -3.03256 -295.51 GPRESSURE: 425600 38.0818 332.393 62.1994 239.128 162.69 28.5085 64.5087 46.8 -279.436 PRESSAVG: 425600 -9.57431 -6.52569 37.194 -6.52567 -5.12024 -22.4666 37.1939 -22.4665 2.76891 GPRESSAVG: 425600 -9.83066 -6.52773 37.6038 -5.75787 -4.4475 -23.5049 37.0723 -21.1688 2.14411 TIMING: 425600 CPU: 1236.63, 0.00289752/step Wall: 1236.63, 0.00289752/step, 3.68178 hours remaining, 205.796875 MB of memory in use. ENERGY: 425600 713.9551 2122.5273 1989.8462 105.8725 -205958.7122 17645.9881 0.0000 0.0000 34259.7608 -149120.7623 299.1990 -183380.5231 -149021.4390 299.8919 -59.3261 -26.2212 558275.2268 -3.9752 -4.0447 PRESSURE: 425800 -37.938 23.1121 15.1074 23.1109 -105.375 0.321665 15.1076 0.321638 -71.5681 GPRESSURE: 425800 12.1635 -8.19265 33.9257 34.3178 -100.454 -2.86393 -20.6162 33.2746 -41.5312 PRESSAVG: 425800 51.9626 32.39 -12.1402 32.3899 29.9704 -31.0616 -12.1401 -31.0617 -61.3714 GPRESSAVG: 425800 51.4183 33.1106 -10.5205 29.7711 30.7198 -32.23 -12.2802 -29.4498 -62.3191 TIMING: 425800 CPU: 1237.21, 0.00291681/step Wall: 1237.21, 0.00291681/step, 3.70613 hours remaining, 205.796875 MB of memory in use. ENERGY: 425800 706.9854 2118.1088 1982.4351 115.4454 -205942.9173 17577.7764 0.0000 0.0000 34178.4014 -149263.7649 298.4885 -183442.1663 -149172.8393 299.1983 -71.6271 -43.2738 557205.9787 6.8539 6.6063 PRESSURE: 426000 19.9448 16.9261 -110.569 16.9262 38.7565 -25.7827 -110.568 -25.7837 -223.143 GPRESSURE: 426000 2.93169 4.11967 -85.95 4.07848 138.66 -15.8802 -103.827 -19.8822 -209.897 PRESSAVG: 426000 -32.9381 58.7493 -5.16266 58.7493 24.6344 2.39221 -5.16269 2.39231 -2.68014 GPRESSAVG: 426000 -32.0232 58.1557 -6.86336 59.8419 23.2699 3.76032 -4.61198 0.430693 -2.75921 TIMING: 426000 CPU: 1237.8, 0.0029032/step Wall: 1237.8, 0.0029032/step, 3.68868 hours remaining, 205.796875 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: 426000 739.5694 2107.6714 1967.2042 114.2432 -206233.8486 17872.8062 0.0000 0.0000 34148.4410 -149283.9133 298.2268 -183432.3542 -149184.4521 299.6267 -54.8141 -22.7686 558091.5168 -3.6613 -3.8375 PRESSURE: 426200 24.1555 -23.2772 -35.5795 -23.2775 -4.75476 -19.2989 -35.5793 -19.2989 -129.495 GPRESSURE: 426200 -2.24054 -47.1766 32.4508 14.4397 79.5358 -28.4174 -92.9516 40.1064 -93.1098 PRESSAVG: 426200 43.5362 35.6272 24.4022 35.6272 -22.4319 -29.3367 24.4022 -29.3367 9.85862 GPRESSAVG: 426200 43.3533 36.3626 23.0724 35.4508 -22.2018 -31.4852 24.5724 -28.7837 9.50851 TIMING: 426200 CPU: 1238.37, 0.00289038/step Wall: 1238.37, 0.00289038/step, 3.67223 hours remaining, 205.796875 MB of memory in use. ENERGY: 426200 696.5683 2060.1699 1948.6317 127.2129 -205941.6546 17760.3388 0.0000 0.0000 34259.9812 -149088.7518 299.2009 -183348.7330 -148994.7678 299.3875 -36.6982 -5.2715 558337.3098 10.3210 10.2200 PRESSURE: 426400 -183.907 95.7973 -6.88835 95.7959 84.8921 -125.413 -6.88856 -125.413 30.7533 GPRESSURE: 426400 -91.7389 41.7818 35.4949 157.906 91.3467 -55.4537 -83.6832 -205.365 18.0886 PRESSAVG: 426400 -51.0284 -22.7412 -36.7488 -22.7412 26.5313 -59.8081 -36.7488 -59.8081 -33.1134 GPRESSAVG: 426400 -50.0808 -22.7295 -35.6063 -22.3952 24.4439 -59.1573 -38.0338 -59.1878 -32.1258 TIMING: 426400 CPU: 1238.96, 0.00291202/step Wall: 1238.96, 0.00291202/step, 3.69956 hours remaining, 205.796875 MB of memory in use. ENERGY: 426400 706.2766 2117.3198 1973.4078 109.9591 -206024.6455 17830.8857 0.0000 0.0000 34119.1002 -149167.6962 297.9706 -183286.7964 -149072.1122 298.4796 -22.7537 5.8988 556796.0706 -19.2035 -19.2542 PRESSURE: 426600 -103.688 -130.251 -10.5552 -130.252 -292.085 -90.6682 -10.5542 -90.668 -271.951 GPRESSURE: 426600 -114.804 -154.768 -33.0089 -104.014 -292.741 -121.399 -40.9763 -52.9633 -169.965 PRESSAVG: 426600 -1.05891 7.1609 -19.652 7.16086 35.7469 -55.0796 -19.652 -55.0796 7.27817 GPRESSAVG: 426600 -2.03879 7.08685 -18.1862 7.89958 38.2343 -56.5345 -19.4074 -54.7601 6.09536 TIMING: 426600 CPU: 1239.54, 0.00290987/step Wall: 1239.54, 0.00290987/step, 3.69666 hours remaining, 205.796875 MB of memory in use. ENERGY: 426600 739.1769 2064.6171 1996.1162 119.5923 -206230.7026 17549.3512 0.0000 0.0000 34468.0921 -149293.7568 301.0184 -183761.8489 -149197.9704 299.1565 -222.5746 -192.5033 557539.0252 13.9887 14.0970 PRESSURE: 426800 -74.7753 -153.926 -125.51 -153.925 -198.351 -121.415 -125.509 -121.415 -20.5917 GPRESSURE: 426800 -97.2635 -91.5504 -46.9363 -159.802 -118.456 -55.0132 -193.765 -133.703 15.7974 PRESSAVG: 426800 46.6258 -20.2214 32.6069 -20.2214 5.89208 -49.2258 32.6069 -49.2258 -27.2748 GPRESSAVG: 426800 46.5703 -23.1082 32.3739 -19.8378 4.98153 -48.0333 31.8671 -48.0729 -26.2727 TIMING: 426800 CPU: 1240.12, 0.00291238/step Wall: 1240.12, 0.00291238/step, 3.69969 hours remaining, 205.796875 MB of memory in use. ENERGY: 426800 743.8559 2073.0980 1983.4972 105.2717 -206142.5055 17674.2579 0.0000 0.0000 34334.3966 -149228.1282 299.8508 -183562.5248 -149124.9361 299.8222 -97.9060 -66.6406 558032.9991 8.4144 8.4264 PRESSURE: 427000 92.0911 -82.7647 61.8713 -82.7648 304.56 106.535 61.8705 106.535 -6.49707 GPRESSURE: 427000 132.829 -90.0673 22.9467 -16.9338 319.78 165.274 67.5131 124.358 31.516 PRESSAVG: 427000 50.6292 11.5853 0.516858 11.5852 46.1315 -10.423 0.516892 -10.423 -81.1729 GPRESSAVG: 427000 52.213 13.2979 0.469144 11.1637 45.7252 -6.98932 1.9962 -12.8475 -82.4097 TIMING: 427000 CPU: 1240.7, 0.00289419/step Wall: 1240.7, 0.00289419/step, 3.67642 hours remaining, 205.796875 MB of memory in use. ENERGY: 427000 751.3973 2063.3785 1976.1359 116.2951 -206444.4890 18003.2612 0.0000 0.0000 34166.2017 -149367.8193 298.3819 -183534.0210 -149270.3182 299.0036 130.0513 161.3750 556606.8166 5.1959 5.1762 PRESSURE: 427200 -285.059 136.938 243.535 136.938 -134.668 99.3578 243.535 99.3576 222.786 GPRESSURE: 427200 -227.408 153.303 179.472 77.1722 -131.153 28.8718 227.585 134.764 253.197 PRESSAVG: 427200 8.54561 41.3765 12.9445 41.3764 33.9211 -0.596817 12.9446 -0.596841 -37.1518 GPRESSAVG: 427200 8.90897 41.0932 12.9554 38.9582 33.7159 -2.68124 11.5221 0.265189 -37.3657 TIMING: 427200 CPU: 1241.28, 0.00292269/step Wall: 1241.28, 0.00292269/step, 3.71246 hours remaining, 205.796875 MB of memory in use. ENERGY: 427200 740.9964 2089.8897 1966.2616 120.9643 -206209.0897 17730.0067 0.0000 0.0000 34371.6898 -149189.2812 300.1765 -183560.9710 -149095.2927 298.5211 -65.6469 -35.1211 557791.8660 1.7716 1.7530 PRESSURE: 427400 -64.6947 105.744 -205.931 105.744 105.013 -7.66995 -205.933 -7.66978 245.436 GPRESSURE: 427400 -44.7951 99.0554 -259.208 34.7149 169.437 -58.8981 -209.987 -25.513 257.429 PRESSAVG: 427400 -54.0243 19.9836 -49.3922 19.9835 -2.20687 29.1116 -49.3922 29.1116 38.1849 GPRESSAVG: 427400 -54.6654 23.087 -49.8578 20.4048 -2.52226 28.0999 -49.0316 28.9859 39.2765 TIMING: 427400 CPU: 1241.86, 0.00290173/step Wall: 1241.86, 0.00290173/step, 3.68568 hours remaining, 205.796875 MB of memory in use. ENERGY: 427400 714.7410 2065.3342 1965.8236 120.5188 -206158.5062 17806.1450 0.0000 0.0000 34325.2265 -149160.7172 299.7707 -183485.9437 -149065.2136 299.2660 95.2515 127.3569 557255.3620 -6.0154 -5.9704 PRESSURE: 427600 -8.53149 39.1649 4.6226 39.1642 -101.352 -118.371 4.62259 -118.371 30.8192 GPRESSURE: 427600 -44.2006 -42.7945 13.3667 212.107 -64.8972 -110.074 -36.5518 -114.725 122.241 PRESSAVG: 427600 33.6531 21.3771 -64.7889 21.3771 46.8153 21.0816 -64.7888 21.0816 -1.40485 GPRESSAVG: 427600 32.4962 18.3349 -66.1268 24.0847 47.9106 21.5693 -62.3857 20.5474 -1.40682 TIMING: 427600 CPU: 1242.45, 0.00293051/step Wall: 1242.45, 0.00293051/step, 3.72207 hours remaining, 205.796875 MB of memory in use. ENERGY: 427600 766.3595 2110.6370 1976.4830 109.2588 -206193.6369 17690.9477 0.0000 0.0000 34382.0847 -149157.8661 300.2673 -183539.9508 -149059.4571 299.4893 -26.3548 4.3811 556753.9248 26.3545 26.3333 PRESSURE: 427800 -39.3625 73.8409 125.887 73.8411 -53.0709 -0.309165 125.887 -0.30987 -9.97617 GPRESSURE: 427800 4.21228 66.7434 136.295 123.968 -63.5612 -93.7852 62.1522 10.8309 45.2226 PRESSAVG: 427800 -22.1632 12.5036 15.3799 12.5035 50.887 -19.5969 15.38 -19.5969 0.33935 GPRESSAVG: 427800 -20.391 13.9224 16.878 11.4799 49.5088 -21.4654 13.0273 -18.1662 0.375468 TIMING: 427800 CPU: 1243.03, 0.0029226/step Wall: 1243.03, 0.0029226/step, 3.71187 hours remaining, 205.796875 MB of memory in use. ENERGY: 427800 729.5444 2079.1123 1971.2867 116.4486 -206055.8500 17785.3248 0.0000 0.0000 34099.4039 -149274.7293 297.7986 -183374.1331 -149175.0923 298.9867 -34.1365 -4.7088 557722.3128 9.6877 9.8311 PRESSURE: 428000 130.718 79.8267 -29.7134 79.8271 -191.474 -188.56 -29.7128 -188.56 11.4229 GPRESSURE: 428000 190.022 -27.3756 48.4026 149.456 -154.561 -199.137 -96.1175 -201.182 5.55764 PRESSAVG: 428000 98.5788 -11.5146 19.5308 -11.5145 -24.5845 -8.9063 19.5308 -8.90633 -34.4899 GPRESSAVG: 428000 98.0021 -12.1574 20.1134 -11.8813 -23.2863 -6.32031 18.9654 -10.7389 -35.1626 TIMING: 428000 CPU: 1243.62, 0.00294441/step Wall: 1243.62, 0.00294441/step, 3.7394 hours remaining, 205.796875 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: 428000 779.8139 2111.4994 1984.7670 118.2808 -205969.7424 17711.5462 0.0000 0.0000 34095.5477 -149168.2874 297.7649 -183263.8351 -149077.6230 299.0164 -16.4442 13.6728 559155.0121 13.1681 13.1844 PRESSURE: 428200 355.278 -75.4551 -183.941 -75.456 -185.235 -135.728 -183.941 -135.727 -40.658 GPRESSURE: 428200 309.641 -38.7409 -197.661 -23.0169 -111.068 -83.8132 -155.59 -184.991 25.3697 PRESSAVG: 428200 52.6255 -18.8494 -26.1377 -18.8494 -18.9322 -26.4957 -26.1377 -26.4956 -29.279 GPRESSAVG: 428200 51.5445 -17.7007 -29.2513 -17.7394 -19.2482 -26.9028 -25.5203 -24.8836 -27.7966 TIMING: 428200 CPU: 1244.21, 0.0029144/step Wall: 1244.21, 0.0029144/step, 3.70113 hours remaining, 205.796875 MB of memory in use. ENERGY: 428200 746.1305 2091.0640 1952.4472 112.7864 -206396.1682 18076.5316 0.0000 0.0000 34284.3606 -149132.8477 299.4138 -183417.2084 -149033.8349 299.0604 43.1285 74.6477 559280.8063 1.4714 1.4999 LDB: ============= START OF LOAD BALANCING ============== 1247.67 LDB: ============== END OF LOAD BALANCING =============== 1247.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1247.68 LDB: ============= START OF LOAD BALANCING ============== 1247.97 LDB: Largest compute 4820 load 0.028490 is 24.2% of average load 0.117635 LDB: Average compute 0.001718 is 1.5% of average load 0.117635 LDB: TIME 1247.97 LOAD: AVG 0.117635 MAX 0.179349 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.566 MB LDB: TIME 1247.97 LOAD: AVG 0.117635 MAX 0.179349 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: TIME 1247.97 LOAD: AVG 0.117635 MAX 0.179349 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: ============== END OF LOAD BALANCING =============== 1247.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1247.97 PRESSURE: 428400 126.527 -100.545 -34.5256 -100.544 -65.6766 -127.584 -34.5272 -127.582 142.392 GPRESSURE: 428400 175.06 -171.504 -43.0855 -55.7334 -28.4422 -121.679 1.93434 -140.015 150.175 PRESSAVG: 428400 -2.46786 -25.0683 -15.9374 -25.0682 9.55066 -7.76125 -15.9374 -7.76132 11.4048 GPRESSAVG: 428400 -2.38185 -26.1575 -13.5867 -24.8959 9.69639 -7.8467 -15.7367 -7.1249 10.9043 TIMING: 428400 CPU: 1244.8, 0.00296296/step Wall: 1244.8, 0.00296296/step, 3.76263 hours remaining, 203.652344 MB of memory in use. ENERGY: 428400 737.8084 2045.8646 1981.6589 123.7306 -206256.8702 17878.9607 0.0000 0.0000 34263.4746 -149225.3723 299.2314 -183488.8470 -149132.3605 299.4949 67.7472 98.9308 558199.1295 6.1625 6.0729 PRESSURE: 428600 -106.471 -68.6307 -48.4487 -68.6289 -203.021 -20.8933 -48.4485 -20.8948 -202.443 GPRESSURE: 428600 -49.8917 -80.7565 -52.9124 -24.0822 -128.932 21.2095 -2.94486 -36.7408 -226.049 PRESSAVG: 428600 56.6316 6.17707 -28.1009 6.17704 -32.992 -51.1811 -28.101 -51.1811 -3.22255 GPRESSAVG: 428600 56.8648 6.17249 -28.6627 7.70627 -32.3435 -50.5156 -26.6785 -51.7343 -4.90677 TIMING: 428600 CPU: 1245.38, 0.00289638/step Wall: 1245.38, 0.00289638/step, 3.67792 hours remaining, 203.855469 MB of memory in use. ENERGY: 428600 732.3624 2133.9394 1986.0255 120.3957 -206332.6790 17818.4779 0.0000 0.0000 34390.0493 -149151.4289 300.3369 -183541.4782 -149046.4484 299.4776 -170.6454 -134.9575 558191.8542 6.8057 6.5382 PRESSURE: 428800 -80.547 92.8305 -123.302 92.829 -93.7883 197.669 -123.301 197.669 156.668 GPRESSURE: 428800 18.0428 69.2436 -146.181 139.227 -130.411 129.193 -111.41 162.342 196.055 PRESSAVG: 428800 -14.2421 17.0702 30.8516 17.0701 -55.6553 -54.5922 30.8515 -54.5922 39.5399 GPRESSAVG: 428800 -14.0913 17.3424 30.192 14.8981 -56.4229 -55.7755 29.5548 -54.6547 40.1492 TIMING: 428800 CPU: 1245.95, 0.00287947/step Wall: 1245.95, 0.00287947/step, 3.65629 hours remaining, 203.855469 MB of memory in use. ENERGY: 428800 771.0231 2076.6640 1960.9446 113.6766 -205999.1950 17864.5024 0.0000 0.0000 34231.4506 -148980.9336 298.9518 -183212.3843 -148886.0472 298.9480 -5.8891 27.8956 557923.3583 -10.1192 -10.1217 PRESSURE: 429000 -190.272 -5.04554 -93.0142 -5.0437 -96.2534 -72.5479 -93.0156 -72.548 162.451 GPRESSURE: 429000 -153.181 -44.0452 -59.133 -20.4241 -84.1045 -54.5498 -86.1391 -115.388 200.521 PRESSAVG: 429000 -42.1834 -0.109999 -0.820403 -0.110034 60.0344 -66.7095 -0.820409 -66.7095 2.60767 GPRESSAVG: 429000 -43.1161 -0.553489 1.16322 -0.955326 59.5941 -66.3084 -1.61632 -66.2744 3.22553 TIMING: 429000 CPU: 1246.53, 0.00287945/step Wall: 1246.53, 0.00287945/step, 3.65611 hours remaining, 203.855469 MB of memory in use. ENERGY: 429000 791.9334 2168.9580 1987.9992 115.2921 -206015.3524 17730.6432 0.0000 0.0000 34237.8177 -148982.7088 299.0074 -183220.5265 -148891.1310 298.8433 -41.3580 -12.2550 557384.9054 6.8196 6.5678 PRESSURE: 429200 -190.53 0.0133386 -156.962 0.0141295 -149.136 -116.479 -156.962 -116.478 -9.31417 GPRESSURE: 429200 -118.998 31.8565 -111.944 52.4277 -147.453 -185.577 -250.292 -89.374 21.7752 PRESSAVG: 429200 -8.16194 36.6338 -20.2921 36.6339 -51.7527 -89.1723 -20.292 -89.1723 72.1832 GPRESSAVG: 429200 -8.52145 37.6493 -19.7039 37.6383 -50.9576 -89.2649 -20.8701 -88.3448 71.7669 TIMING: 429200 CPU: 1247.11, 0.002876/step Wall: 1247.11, 0.002876/step, 3.65156 hours remaining, 203.960938 MB of memory in use. ENERGY: 429200 729.8742 2015.6332 1964.8440 104.2705 -205950.8667 17715.4058 0.0000 0.0000 34541.9813 -148878.8576 301.6637 -183420.8389 -148784.5689 299.5843 -116.3268 -81.5586 558998.4579 4.0895 4.0959 PRESSURE: 429400 -37.6731 -92.1047 -95.294 -92.1042 -145.144 10.3651 -95.2945 10.3635 -53.3 GPRESSURE: 429400 -16.31 -80.3881 1.46038 -35.9911 -68.7106 66.8601 -145.804 2.23736 -60.1113 PRESSAVG: 429400 -10.6194 24.8094 30.7749 24.8095 -14.4777 -9.72801 30.7748 -9.7279 -1.4079 GPRESSAVG: 429400 -11.4337 23.8315 28.134 24.8911 -13.964 -10.9901 33.0889 -11.1716 -1.29999 TIMING: 429400 CPU: 1247.68, 0.00289543/step Wall: 1247.68, 0.00289543/step, 3.67607 hours remaining, 203.960938 MB of memory in use. ENERGY: 429400 757.9332 2038.3655 2001.0717 118.4642 -205954.7239 17617.2307 0.0000 0.0000 34359.4399 -149062.2187 300.0695 -183421.6587 -148967.0702 299.8972 -78.7057 -48.3773 556996.2930 -8.8350 -8.8992 PRESSURE: 429600 -7.35359 34.7549 218.119 34.7546 -56.3198 152.961 218.118 152.961 -160.237 GPRESSURE: 429600 0.719458 19.2779 59.9577 63.1572 -85.5695 225.875 280.915 55.3826 -41.7793 PRESSAVG: 429600 21.0781 30.0919 14.3612 30.092 -12.6322 11.6071 14.3612 11.607 7.59514 GPRESSAVG: 429600 21.8158 31.01 13.2817 30.2604 -12.8539 12.9098 14.6804 12.7097 6.95638 TIMING: 429600 CPU: 1248.26, 0.00290096/step Wall: 1248.26, 0.00290096/step, 3.68293 hours remaining, 203.960938 MB of memory in use. ENERGY: 429600 707.8513 2127.6592 1993.6310 125.4171 -205946.7597 17527.7591 0.0000 0.0000 34596.3258 -148868.1161 302.1383 -183464.4419 -148770.8134 300.4237 -74.6367 -42.2098 557443.7870 5.3470 5.3061 PRESSURE: 429800 148.913 90.4247 28.522 90.4247 -68.8126 -122.171 28.5216 -122.172 206.792 GPRESSURE: 429800 170.748 131.051 115.714 76.0647 -3.62171 -95.4232 -0.638953 -132.037 228.088 PRESSAVG: 429800 -50.189 72.4136 33.0934 72.4137 6.3342 -22.1973 33.0934 -22.1974 -18.8748 GPRESSAVG: 429800 -49.4284 72.0746 33.7662 73.2162 5.54837 -22.1753 32.4999 -22.5101 -18.5918 TIMING: 429800 CPU: 1248.84, 0.00289266/step Wall: 1248.84, 0.00289266/step, 3.67223 hours remaining, 203.960938 MB of memory in use. ENERGY: 429800 781.5149 2071.7943 1966.2685 126.9583 -206101.5883 17881.5709 0.0000 0.0000 34265.3021 -149008.1792 299.2474 -183273.4813 -148906.0313 300.1179 95.6305 131.7382 556988.8279 -20.9099 -20.8239 PRESSURE: 430000 -127.559 192.609 8.82552 192.609 -61.5052 112.231 8.82428 112.232 86.8579 GPRESSURE: 430000 -23.6569 210.47 23.6519 200.94 -59.7387 86.4154 55.9272 117.701 79.0217 PRESSAVG: 430000 4.18271 63.8367 19.0767 63.8366 14.6555 -3.58999 19.0767 -3.58985 -4.54095 GPRESSAVG: 430000 4.91556 64.9651 21.6383 61.7134 14.4763 -1.81048 19.4258 -3.64106 -4.69113 TIMING: 430000 CPU: 1249.42, 0.00288086/step Wall: 1249.42, 0.00288086/step, 3.65709 hours remaining, 203.960938 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: 430000 776.3906 2068.7317 1970.5635 124.4065 -206219.4278 17818.1300 0.0000 0.0000 34230.0758 -149231.1297 298.9398 -183461.2055 -149135.0905 300.1136 -34.0687 -1.4580 556001.4675 4.7657 4.9002 PRESSURE: 430200 194.349 17.5622 -62.1947 17.5622 -55.523 155.804 -62.1954 155.807 59.1478 GPRESSURE: 430200 172.903 16.3801 -135.794 54.8661 -14.1182 237.807 -33.2448 48.0381 123.157 PRESSAVG: 430200 -8.58772 45.3589 -19.0166 45.359 2.89166 34.3008 -19.0167 34.3009 -14.3146 GPRESSAVG: 430200 -9.94977 45.7733 -21.5916 46.0725 4.32203 33.3155 -19.2927 35.4013 -14.3989 TIMING: 430200 CPU: 1250, 0.0028805/step Wall: 1250, 0.0028805/step, 3.65647 hours remaining, 203.960938 MB of memory in use. ENERGY: 430200 726.9167 2011.6847 1978.3036 120.3663 -206349.5706 17830.0377 0.0000 0.0000 34446.7286 -149235.5329 300.8318 -183682.2615 -149140.5688 299.9688 65.9914 93.9804 556319.7456 -6.6702 -6.6756 PRESSURE: 430400 -176.65 42.6916 -11.5521 42.6913 -99.3882 -118.845 -11.5518 -118.845 -62.3841 GPRESSURE: 430400 -161.996 -16.5138 -15.7798 88.3952 -55.8264 -22.7514 22.2286 -136.018 -27.2052 PRESSAVG: 430400 16.3791 44.7621 -43.2474 44.7621 33.7988 17.9252 -43.2474 17.9254 -7.66877 GPRESSAVG: 430400 16.586 44.6143 -40.2485 44.069 33.0857 16.8068 -43.3734 16.5817 -7.70782 TIMING: 430400 CPU: 1250.58, 0.00289897/step Wall: 1250.58, 0.00289897/step, 3.67976 hours remaining, 203.960938 MB of memory in use. ENERGY: 430400 760.4543 2071.1372 1951.9744 108.5316 -206089.2153 17636.3584 0.0000 0.0000 34171.5963 -149389.1631 298.4290 -183560.7594 -149286.2319 298.9943 -112.8075 -81.6757 556980.1193 14.1697 13.9879 PRESSURE: 430600 21.953 12.5937 118.344 12.5924 156.292 86.9314 118.344 86.9317 -64.3798 GPRESSURE: 430600 37.9743 -44.3293 48.6055 -3.68132 214.666 118.895 171.667 86.3944 -46.0815 PRESSAVG: 430600 32.312 -15.665 8.52258 -15.665 -22.1714 64.8806 8.5226 64.8806 -31.474 GPRESSAVG: 430600 34.1648 -16.5714 8.70568 -15.4357 -22.9396 65.0783 7.91214 63.9882 -32.7207 TIMING: 430600 CPU: 1251.15, 0.00288864/step Wall: 1251.15, 0.00288864/step, 3.66648 hours remaining, 203.960938 MB of memory in use. ENERGY: 430600 730.9163 2075.8750 1982.1891 113.3123 -206264.2607 17891.7988 0.0000 0.0000 34176.8634 -149293.3059 298.4750 -183470.1693 -149196.3528 298.8695 37.9550 68.8530 557102.8011 -7.1111 -7.1652 PRESSURE: 430800 -104.29 -19.6869 46.6156 -19.6868 -420.945 -49.6247 46.615 -49.6259 26.0509 GPRESSURE: 430800 -24.0511 -42.7556 58.4402 -91.1228 -332.794 -27.5784 66.4676 -9.18206 -32.146 PRESSAVG: 430800 43.1739 -15.2065 25.8818 -15.2065 -17.7457 -56.0523 25.8818 -56.0523 9.3379 GPRESSAVG: 430800 40.3705 -14.5066 27.1983 -16.3994 -16.9935 -54.2298 24.705 -58.3338 11.4986 TIMING: 430800 CPU: 1251.73, 0.00287573/step Wall: 1251.73, 0.00287573/step, 3.64994 hours remaining, 203.960938 MB of memory in use. ENERGY: 430800 751.3897 2037.9515 1979.4665 111.8984 -206047.2472 17585.5189 0.0000 0.0000 34189.5161 -149391.5061 298.5855 -183581.0222 -149297.7033 298.1881 -166.3946 -129.6638 558655.3170 11.5887 11.6252 PRESSURE: 431000 -63.4058 -16.2914 -137.03 -16.2921 14.1357 -48.5108 -137.031 -48.5094 -147.452 GPRESSURE: 431000 -1.15553 -7.89646 -104.367 -107.281 39.4214 -61.9323 -62.8619 0.338478 -132.047 PRESSAVG: 431000 46.3697 -30.6465 -65.849 -30.6466 -24.3634 -5.53797 -65.849 -5.53802 -72.0359 GPRESSAVG: 431000 46.9933 -31.2059 -66.1835 -27.2853 -24.3465 -8.51694 -63.3877 -2.03359 -72.8845 TIMING: 431000 CPU: 1252.3, 0.0028636/step Wall: 1252.3, 0.0028636/step, 3.63439 hours remaining, 203.960938 MB of memory in use. ENERGY: 431000 733.2742 2075.4253 1965.0888 129.1741 -206081.8778 17740.2803 0.0000 0.0000 34067.8774 -149370.7577 297.5232 -183438.6351 -149274.9667 298.5323 -65.5740 -31.2605 558408.2156 -16.6765 -16.7459 PRESSURE: 431200 187.763 -47.2511 -56.4172 -47.2514 55.7744 46.9591 -56.4168 46.9582 199.082 GPRESSURE: 431200 172.519 -44.7284 -132.736 -63.9367 104.861 25.8427 -28.8424 25.7398 255.114 PRESSAVG: 431200 28.7278 12.6471 11.0785 12.6471 66.464 -42.9244 11.0786 -42.9243 -71.2855 GPRESSAVG: 431200 30.0753 10.4776 9.8308 13.3324 64.6158 -40.8263 10.5743 -44.1892 -70.4587 TIMING: 431200 CPU: 1252.88, 0.00287996/step Wall: 1252.88, 0.00287996/step, 3.65498 hours remaining, 203.960938 MB of memory in use. ENERGY: 431200 755.6911 2045.0959 1967.4079 124.2248 -206846.2089 18179.0234 0.0000 0.0000 34422.3130 -149352.4528 300.6186 -183774.7658 -149254.3908 299.0781 147.5398 177.4978 555091.4667 7.9688 8.0775 PRESSURE: 431400 -170.107 76.6616 107.688 76.6604 -390.932 201.68 107.689 201.68 -160.734 GPRESSURE: 431400 -131.016 -51.5653 32.1353 106.137 -352.5 129.095 90.6964 189.4 -132.469 PRESSAVG: 431400 -5.68696 8.8701 39.5656 8.87003 10.6905 9.48961 39.5656 9.48959 40.9079 GPRESSAVG: 431400 -6.6989 11.689 39.0752 6.05647 11.3817 10.5014 41.1386 9.22835 41.2207 TIMING: 431400 CPU: 1253.45, 0.00288041/step Wall: 1253.45, 0.00288041/step, 3.6554 hours remaining, 203.960938 MB of memory in use. ENERGY: 431400 746.0818 2031.2593 2005.2088 112.5536 -205904.2648 17510.8709 0.0000 0.0000 34172.3576 -149325.9328 298.4357 -183498.2904 -149221.3694 298.8570 -240.5909 -205.3286 556514.1731 15.3038 15.3012 PRESSURE: 431600 20.8861 107.423 98.7316 107.423 -144.306 -104.752 98.7308 -104.752 -7.34631 GPRESSURE: 431600 59.9627 60.0874 113.588 62.2011 -80.0781 -8.54197 146.564 -143.228 2.10454 PRESSAVG: 431600 -10.4519 35.7852 41.8602 35.7851 20.1415 35.7197 41.8602 35.7197 1.64636 GPRESSAVG: 431600 -9.78224 34.7474 43.0905 36.2509 20.3469 35.0404 39.4257 37.1965 0.824149 TIMING: 431600 CPU: 1254.03, 0.00288572/step Wall: 1254.03, 0.00288572/step, 3.66198 hours remaining, 203.960938 MB of memory in use. ENERGY: 431600 772.6698 2055.4604 2003.3320 119.1340 -206469.6984 17896.6973 0.0000 0.0000 34371.3860 -149251.0190 300.1739 -183622.4050 -149157.1970 299.1132 -43.5889 -6.0036 556254.0695 3.7787 3.7963 PRESSURE: 431800 -244.391 -59.4758 34.8777 -59.4761 132.002 8.68902 34.8772 8.68974 -75.3304 GPRESSURE: 431800 -171.878 48.5903 -8.25926 -40.7122 149.351 -2.19814 74.2404 -91.9406 -63.9471 PRESSAVG: 431800 30.74 -9.01449 68.4695 -9.0145 6.28317 4.71013 68.4695 4.71008 -48.6266 GPRESSAVG: 431800 31.512 -8.85189 67.6352 -9.05253 5.64329 4.44804 69.225 3.12065 -48.7397 TIMING: 431800 CPU: 1254.61, 0.00289071/step Wall: 1254.61, 0.00289071/step, 3.66815 hours remaining, 203.960938 MB of memory in use. ENERGY: 431800 716.0510 2043.0468 1980.1664 117.1016 -205955.9011 17603.1129 0.0000 0.0000 34158.0901 -149338.3323 298.3111 -183496.4224 -149233.5234 299.0303 -62.5728 -28.8246 557369.3969 -3.8678 -3.8615 PRESSURE: 432000 -189.658 -58.5745 -25.9923 -58.5737 -12.6533 2.47364 -25.9932 2.47335 177.048 GPRESSURE: 432000 -118.214 -30.6766 -77.4157 -22.3851 12.406 -1.16791 7.57635 36.6113 165.303 PRESSAVG: 432000 -69.0232 -6.13415 16.8405 -6.13414 -3.80837 1.23556 16.8406 1.23564 26.058 GPRESSAVG: 432000 -69.1823 -5.18248 17.331 -5.97106 -2.65719 -1.57371 18.2308 2.76308 25.4131 TIMING: 432000 CPU: 1255.18, 0.00288067/step Wall: 1255.18, 0.00288067/step, 3.65525 hours remaining, 203.960938 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: 432000 738.5805 2110.8325 1978.3214 115.6566 -206321.7180 17685.5785 0.0000 0.0000 34223.1307 -149469.6178 298.8791 -183692.7486 -149362.9503 298.5892 -8.4210 19.8317 557159.7360 -15.5912 -15.4755 PRESSURE: 432200 181.409 -55.0543 50.6797 -55.0541 -18.8966 81.4945 50.6789 81.4954 -30.4824 GPRESSURE: 432200 147.404 -78.1277 153.501 -80.486 49.2768 53.5188 -74.3645 78.2658 34.5869 PRESSAVG: 432200 -41.8244 23.9263 16.3665 23.9263 23.2464 -15.9942 16.3665 -15.9942 36.9997 GPRESSAVG: 432200 -41.8724 23.5367 16.6411 24.3523 22.9859 -14.8603 14.034 -16.8332 37.991 TIMING: 432200 CPU: 1255.76, 0.00289046/step Wall: 1255.76, 0.00289046/step, 3.66751 hours remaining, 203.960938 MB of memory in use. ENERGY: 432200 708.6871 2075.7099 1975.4551 114.7480 -206633.8512 17976.2326 0.0000 0.0000 34434.0048 -149349.0138 300.7207 -183783.0186 -149251.6136 299.1816 44.0101 77.0892 557690.0909 6.1406 6.3682 LDB: ============= START OF LOAD BALANCING ============== 1259.23 LDB: ============== END OF LOAD BALANCING =============== 1259.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1259.23 LDB: ============= START OF LOAD BALANCING ============== 1259.52 LDB: Largest compute 4820 load 0.028376 is 24.1% of average load 0.117589 LDB: Average compute 0.001728 is 1.5% of average load 0.117589 LDB: TIME 1259.52 LOAD: AVG 0.117589 MAX 0.182008 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.93 MB LDB: TIME 1259.52 LOAD: AVG 0.117589 MAX 0.182008 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: TIME 1259.52 LOAD: AVG 0.117589 MAX 0.182008 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1259.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1259.53 PRESSURE: 432400 302.3 -216.996 -89.5639 -216.996 107.29 113.87 -89.5658 113.87 56.8532 GPRESSURE: 432400 348.253 -292.33 -148.549 -152.986 141.17 76.8651 15.2079 84.2121 86.434 PRESSAVG: 432400 -58.1893 -50.3106 -2.20597 -50.3107 84.3489 21.9984 -2.20593 21.9984 -12.2574 GPRESSAVG: 432400 -58.4769 -50.3371 -3.88498 -50.4972 84.3436 21.5647 0.335008 24.0378 -12.1923 TIMING: 432400 CPU: 1256.35, 0.00296306/step Wall: 1256.35, 0.00296306/step, 3.75946 hours remaining, 203.707031 MB of memory in use. ENERGY: 432400 725.9592 2067.8598 1960.0435 105.0382 -206638.2316 18059.0845 0.0000 0.0000 34209.8834 -149510.3630 298.7634 -183720.2464 -149416.2948 298.7430 155.4813 191.9524 556788.1163 4.6340 4.5581 PRESSURE: 432600 -356.279 -1.25133 162.888 -1.25156 -132.923 67.2395 162.887 67.2411 -216.134 GPRESSURE: 432600 -283.741 -55.2173 171.066 74.9553 -117.831 79.5914 251.777 10.6891 -207.32 PRESSAVG: 432600 13.0021 -42.1726 8.39667 -42.1726 -2.89421 -44.4738 8.39675 -44.4737 34.6528 GPRESSAVG: 432600 12.7706 -44.0343 9.75772 -41.7256 -3.97176 -44.4976 6.76052 -45.2001 35.9247 TIMING: 432600 CPU: 1256.93, 0.00289687/step Wall: 1256.93, 0.00289687/step, 3.67533 hours remaining, 203.910156 MB of memory in use. ENERGY: 432600 758.9759 2081.9684 1951.2401 100.2278 -205939.7963 17475.3044 0.0000 0.0000 34148.7336 -149423.3461 298.2294 -183572.0796 -149324.3985 298.3819 -235.1122 -202.9636 558555.6243 14.9202 14.9078 PRESSURE: 432800 5.03583 225.739 -25.6595 225.74 64.5781 40.7196 -25.659 40.7198 -24.7744 GPRESSURE: 432800 42.3908 216.731 58.68 126.797 58.8898 34.7807 -26.6266 70.9893 51.4676 PRESSAVG: 432800 -25.9364 -18.2912 60.2751 -18.2912 31.8943 20.0992 60.2751 20.0993 17.9801 GPRESSAVG: 432800 -25.1408 -17.0775 61.5082 -18.5861 32.2283 20.2163 60.3885 18.9801 17.3161 TIMING: 432800 CPU: 1257.51, 0.00289197/step Wall: 1257.51, 0.00289197/step, 3.66894 hours remaining, 203.910156 MB of memory in use. ENERGY: 432800 753.8330 2064.2585 1974.5142 113.5521 -206287.4958 17879.9322 0.0000 0.0000 34211.4103 -149289.9955 298.7768 -183501.4058 -149190.9386 298.4390 14.9465 50.9160 557570.3527 7.9793 8.1345 PRESSURE: 433000 48.5566 50.5912 49.5388 50.5913 361.729 -23.1555 49.5382 -23.1568 -38.8515 GPRESSURE: 433000 100.738 92.6716 23.6627 4.95435 381.37 -101.87 -18.638 -52.8606 -25.5684 PRESSAVG: 433000 -21.8859 -2.59309 10.9721 -2.59316 34.5329 -16.5893 10.972 -16.5893 11.7387 GPRESSAVG: 433000 -22.2876 -3.08705 10.7817 -1.46758 34.9744 -17.7174 10.1689 -15.1446 11.6139 TIMING: 433000 CPU: 1258.08, 0.00285207/step Wall: 1258.08, 0.00285207/step, 3.61817 hours remaining, 203.910156 MB of memory in use. ENERGY: 433000 716.9414 2090.4675 1971.1248 105.6325 -206500.8971 17944.3912 0.0000 0.0000 34380.9328 -149291.4071 300.2572 -183672.3398 -149197.4254 298.9686 123.8113 152.1797 557856.3771 8.1286 8.1002 PRESSURE: 433200 -612.381 13.0797 45.7255 13.0802 -298.629 -92.4294 45.7271 -92.4302 -282.623 GPRESSURE: 433200 -551.943 100.786 67.6032 -30.3979 -276.087 -63.7502 -30.9054 -149.208 -265.518 PRESSAVG: 433200 -66.3832 -28.1007 34.6312 -28.1006 72.6236 8.94656 34.6312 8.94645 -18.7464 GPRESSAVG: 433200 -66.6204 -27.1689 32.3856 -30.0217 72.4351 9.83731 35.6054 9.70111 -17.4076 TIMING: 433200 CPU: 1258.65, 0.00285724/step Wall: 1258.65, 0.00285724/step, 3.62457 hours remaining, 203.910156 MB of memory in use. ENERGY: 433200 740.0718 2075.1072 1967.3764 116.3721 -205623.5049 17227.4534 0.0000 0.0000 34102.8872 -149394.2368 297.8290 -183497.1240 -149297.6552 298.9280 -397.8776 -364.5160 557894.6017 -4.1687 -3.8643 PRESSURE: 433400 -220.564 -267.502 186.171 -267.501 -317.824 39.9679 186.172 39.9674 218.806 GPRESSURE: 433400 -228.707 -182.74 162.788 -251.644 -241.514 41.6001 152.914 131.993 229.402 PRESSAVG: 433400 -67.1119 -19.3843 72.4055 -19.3843 31.5363 -7.6134 72.4054 -7.61345 41.7406 GPRESSAVG: 433400 -67.1332 -18.1115 75.3083 -19.6655 32.5412 -6.22113 68.8926 -11.1294 40.9286 TIMING: 433400 CPU: 1259.23, 0.00289544/step Wall: 1259.23, 0.00289544/step, 3.67286 hours remaining, 203.910156 MB of memory in use. ENERGY: 433400 750.6953 2044.0646 1960.9700 103.7392 -206389.7202 17765.2337 0.0000 0.0000 34353.7801 -149411.2371 300.0201 -183765.0172 -149309.1135 298.9894 -106.5275 -80.2732 558091.9265 2.0550 2.1122 PRESSURE: 433600 -115.426 31.3415 -277.833 31.3419 -581.901 -144.033 -277.833 -144.032 99.1383 GPRESSURE: 433600 -92.2792 59.0278 -324.219 42.817 -510.044 -201.495 -249.301 -66.0983 93.6264 PRESSAVG: 433600 -41.1682 -1.94547 -52.3367 -1.94548 22.5983 -45.118 -52.3366 -45.1181 -13.3724 GPRESSAVG: 433600 -40.2006 -1.66444 -55.7653 -2.72497 21.7091 -47.3482 -48.4397 -41.3913 -12.998 TIMING: 433600 CPU: 1259.81, 0.00287175/step Wall: 1259.81, 0.00287175/step, 3.64266 hours remaining, 203.910156 MB of memory in use. ENERGY: 433600 764.1477 2043.9450 1988.9116 120.5978 -205688.4555 17439.5615 0.0000 0.0000 34078.0148 -149253.2771 297.6118 -183331.2919 -149158.8459 298.9063 -199.3963 -169.5655 560141.2240 -10.6474 -10.4965 PRESSURE: 433800 115.086 26.6591 16.3115 26.66 -161.958 -74.9709 16.3129 -74.9734 15.6494 GPRESSURE: 433800 153.88 91.5583 125.666 -3.25323 -101.924 -119.419 32.9556 -18.6304 -8.56049 PRESSAVG: 433800 -1.63157 25.6409 41.0674 25.6408 -11.8441 -11.216 41.0674 -11.2161 30.9287 GPRESSAVG: 433800 -1.29922 25.2727 41.4576 27.4779 -10.7224 -10.7934 40.8504 -11.7206 29.4936 TIMING: 433800 CPU: 1260.38, 0.00285885/step Wall: 1260.38, 0.00285885/step, 3.62614 hours remaining, 203.910156 MB of memory in use. ENERGY: 433800 716.9129 2115.0813 1950.3935 115.3487 -206151.9682 17784.2388 0.0000 0.0000 34197.3900 -149272.6029 298.6543 -183469.9930 -149181.1585 298.9727 -10.4074 14.4649 558731.0512 5.8177 5.8240 PRESSURE: 434000 -142.051 41.7274 -129.817 41.7279 196.157 155.329 -129.817 155.327 -20.8656 GPRESSURE: 434000 -111.786 -41.4656 -153.473 67.9754 188.758 138.559 -61.9106 189.978 57.5832 PRESSAVG: 434000 2.73423 20.3899 17.3752 20.3898 25.5532 -6.90346 17.3751 -6.9035 -31.2272 GPRESSAVG: 434000 1.15163 18.8611 17.3822 22.1441 25.8591 -6.1159 16.3902 -7.68471 -30.0462 TIMING: 434000 CPU: 1260.95, 0.00287191/step Wall: 1260.95, 0.00287191/step, 3.64254 hours remaining, 203.910156 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: 434000 760.0929 2045.7377 1986.4576 119.5818 -206230.2173 17964.6475 0.0000 0.0000 34069.3405 -149284.3593 297.5360 -183353.6998 -149180.5369 299.0365 11.0802 44.8518 557744.6897 -0.9799 -1.0118 PRESSURE: 434200 173.399 -53.2444 72.9678 -53.2434 37.4097 18.4254 72.9682 18.4271 -301.199 GPRESSURE: 434200 255.63 -71.5644 82.0948 -67.0269 43.2145 20.3347 59.6776 -16.095 -290.274 PRESSAVG: 434200 85.9217 41.8591 19.2614 41.8591 41.8206 65.1817 19.2614 65.1817 -125.233 GPRESSAVG: 434200 88.111 43.3435 20.1372 40.1955 40.4146 65.198 19.4445 63.9154 -125.654 TIMING: 434200 CPU: 1261.53, 0.00288952/step Wall: 1261.53, 0.00288952/step, 3.66472 hours remaining, 203.910156 MB of memory in use. ENERGY: 434200 778.8841 2097.4879 1992.9342 104.4589 -206179.2099 17837.9552 0.0000 0.0000 34218.9942 -149148.4953 298.8430 -183367.4895 -149053.7429 298.6933 -30.1303 2.8570 557836.5387 0.8365 0.9573 PRESSURE: 434400 -238.852 -39.3709 47.13 -39.3698 -69.3561 -68.0429 47.1302 -68.0441 -52.6072 GPRESSURE: 434400 -209.029 -51.9691 12.951 -1.64017 -56.4228 -29.8796 34.9605 -56.0218 -2.53664 PRESSAVG: 434400 -26.317 -14.3721 -8.62381 -14.372 -31.0556 34.7943 -8.62378 34.7944 43.6128 GPRESSAVG: 434400 -28.2134 -16.3214 -8.8048 -14.3242 -30.6853 35.9258 -7.87891 33.5427 44.7513 TIMING: 434400 CPU: 1262.11, 0.00287873/step Wall: 1262.11, 0.00287872/step, 3.65086 hours remaining, 203.910156 MB of memory in use. ENERGY: 434400 770.7032 2057.0890 2002.3415 114.9030 -206246.7103 17838.8562 0.0000 0.0000 34135.8622 -149326.9551 298.1170 -183462.8173 -149225.4822 299.5879 -120.2717 -89.3295 558138.8058 -4.5866 -4.7158 PRESSURE: 434600 -66.939 32.8873 -139.216 32.8889 -159.744 -180.228 -139.216 -180.228 -147.695 GPRESSURE: 434600 -18.8523 20.7981 -86.9871 63.8415 -147.583 -131.095 -190.49 -118.542 -116.339 PRESSAVG: 434600 -26.9947 -9.54717 -47.1297 -9.5472 59.7724 -9.09402 -47.1296 -9.09394 5.6625 GPRESSAVG: 434600 -26.3197 -10.3134 -47.4141 -9.0504 60.2074 -10.3219 -46.8468 -6.58831 4.95053 TIMING: 434600 CPU: 1262.69, 0.00290216/step Wall: 1262.69, 0.00290216/step, 3.68043 hours remaining, 203.910156 MB of memory in use. ENERGY: 434600 738.5171 2029.3710 1987.9427 114.6196 -206043.9271 17691.7851 0.0000 0.0000 34248.4519 -149233.2397 299.1002 -183481.6916 -149135.5949 299.1035 -124.7927 -94.2581 558933.4333 12.8134 12.9461 PRESSURE: 434800 -268.213 -9.89441 -113.562 -9.89543 -149.693 69.2036 -113.562 69.2041 -118.439 GPRESSURE: 434800 -209.016 -43.1641 -74.7372 65.86 -151.505 -12.9125 -210.694 11.6064 -87.6882 PRESSAVG: 434800 -63.6302 9.26604 -29.4589 9.26603 -30.3041 -27.688 -29.4589 -27.688 99.542 GPRESSAVG: 434800 -63.6222 8.36925 -27.588 11.6441 -31.401 -26.6466 -31.3902 -28.55 100.923 TIMING: 434800 CPU: 1263.27, 0.00289993/step Wall: 1263.27, 0.00289993/step, 3.67743 hours remaining, 203.910156 MB of memory in use. ENERGY: 434800 735.1147 2054.1651 1968.2696 114.4675 -205949.9730 17530.3121 0.0000 0.0000 34195.1235 -149352.5205 298.6345 -183547.6440 -149255.2444 298.8222 -178.7817 -149.4029 558065.5395 1.8692 1.9664 PRESSURE: 435000 -224.623 152.006 145.055 152.006 39.3596 -48.027 145.055 -48.0271 -140.104 GPRESSURE: 435000 -198.546 176.847 184.31 132.222 71.6728 16.1228 54.4838 -18.8838 -93.2033 PRESSAVG: 435000 -62.7196 32.5275 40.6725 32.5276 -65.2169 -0.734878 40.6726 -0.734963 76.6846 GPRESSAVG: 435000 -63.0194 34.095 37.9045 29.9538 -64.1863 0.72954 41.2689 0.051966 75.7813 TIMING: 435000 CPU: 1263.84, 0.00287436/step Wall: 1263.84, 0.00287436/step, 3.64485 hours remaining, 203.910156 MB of memory in use. ENERGY: 435000 790.3257 2020.6103 1973.9825 105.3566 -206176.2202 17803.2854 0.0000 0.0000 34127.1830 -149355.4767 298.0412 -183482.6597 -149269.2447 298.0040 -108.4556 -73.3588 559387.4786 -17.0839 -17.1415 PRESSURE: 435200 19.0943 -113.837 -69.4219 -113.836 -4.43958 4.56837 -69.4221 4.56823 -102.466 GPRESSURE: 435200 42.1194 -153.989 -127.225 -105.725 49.4194 57.448 -63.863 -110.405 -78.7657 PRESSAVG: 435200 21.1864 -46.5699 0.452108 -46.5699 -71.1224 -35.7291 0.452221 -35.7291 36.9664 GPRESSAVG: 435200 21.7891 -48.74 1.12401 -44.8115 -71.4754 -37.3732 2.18927 -37.1747 36.5122 TIMING: 435200 CPU: 1264.42, 0.0028824/step Wall: 1264.42, 0.0028824/step, 3.65489 hours remaining, 203.910156 MB of memory in use. ENERGY: 435200 751.6977 2066.0893 1969.4841 123.1433 -206055.8191 17815.1322 0.0000 0.0000 34236.2318 -149094.0408 298.9935 -183330.2726 -149001.4028 298.5310 -29.2703 4.2577 558539.0063 -4.3232 -4.3914 PRESSURE: 435400 -62.548 112.977 -16.3425 112.978 -217.376 -22.5902 -16.3426 -22.5904 199.591 GPRESSURE: 435400 8.46524 70.7622 -30.369 101.942 -207.293 0.801682 11.6421 -62.5302 224.651 PRESSAVG: 435400 -36.5777 -28.6533 -23.0507 -28.6532 20.3896 -21.4334 -23.0506 -21.4334 56.8033 GPRESSAVG: 435400 -36.3242 -28.5042 -22.7803 -29.6986 20.2493 -21.5091 -23.7433 -18.6464 57.0665 TIMING: 435400 CPU: 1265, 0.00289109/step Wall: 1265, 0.00289109/step, 3.66575 hours remaining, 203.910156 MB of memory in use. ENERGY: 435400 738.0059 2023.9671 1962.2044 109.6790 -206251.6248 17816.4490 0.0000 0.0000 34277.9083 -149323.4110 299.3575 -183601.3193 -149229.5909 299.2286 -26.7778 8.6076 557991.7586 13.5384 13.6639 PRESSURE: 435600 2.36062 -57.8658 -171.772 -57.8658 -332.637 -11.6894 -171.771 -11.6891 -56.6424 GPRESSURE: 435600 12.3407 -40.5741 -188.298 -103.033 -305.316 -34.3603 -228.425 69.8516 1.41022 PRESSAVG: 435600 -36.2123 17.4435 -24.4786 17.4435 -51.3145 -41.7609 -24.4788 -41.7608 102.847 GPRESSAVG: 435600 -36.4645 19.4797 -24.9111 16.9952 -50.6383 -42.7239 -25.6156 -43.3042 102.542 TIMING: 435600 CPU: 1265.58, 0.00291693/step Wall: 1265.58, 0.00291693/step, 3.69834 hours remaining, 203.910156 MB of memory in use. ENERGY: 435600 726.9036 2121.4539 1958.3987 97.7606 -206123.2343 17657.7802 0.0000 0.0000 34309.9156 -149251.0218 299.6370 -183560.9374 -149155.0063 299.3454 -128.9729 -97.1884 559039.2959 5.1067 5.1463 PRESSURE: 435800 57.5338 282.351 -19.0068 282.351 -256.611 -147.956 -19.0072 -147.956 113.691 GPRESSURE: 435800 88.3457 296.889 19.9941 240.133 -247.398 -194.467 -70.8815 -67.5469 161.857 PRESSAVG: 435800 -53.579 80.4037 19.2094 80.4037 2.12746 -26.6121 19.2094 -26.6121 51.1711 GPRESSAVG: 435800 -52.9396 79.7317 20.3824 79.9284 2.27495 -26.2543 19.3447 -24.7598 50.4397 TIMING: 435800 CPU: 1266.16, 0.00290813/step Wall: 1266.16, 0.00290813/step, 3.68703 hours remaining, 203.910156 MB of memory in use. ENERGY: 435800 742.3117 2082.7834 2013.3620 111.8914 -206106.8047 17748.7289 0.0000 0.0000 34286.7098 -149121.0177 299.4344 -183407.7274 -149018.6971 299.3622 -28.4620 0.9349 558581.6006 -0.0935 -0.0750 PRESSURE: 436000 -163.477 168.394 32.9734 168.394 -111.174 96.1387 32.9731 96.1392 48.7567 GPRESSURE: 436000 -74.7591 61.1309 112.733 243.051 -61.8566 171.188 1.91674 -3.19018 11.1342 PRESSAVG: 436000 17.9733 24.3798 8.44767 24.3799 -63.0542 -18.4072 8.44763 -18.4072 76.9082 GPRESSAVG: 436000 18.0826 22.6379 7.78087 24.7238 -64.0601 -18.2191 10.1336 -18.5044 78.1522 TIMING: 436000 CPU: 1266.74, 0.00289837/step Wall: 1266.74, 0.00289837/step, 3.67449 hours remaining, 204.109375 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: 436000 763.5371 2034.6402 1983.2622 109.0286 -205916.1606 17613.8847 0.0000 0.0000 33983.5928 -149428.2150 296.7872 -183411.8078 -149332.6592 298.7833 -75.2983 -41.8272 557253.5942 10.6091 10.7249 PRESSURE: 436200 -243.287 -111.304 -161.774 -111.304 22.8441 -137.363 -161.775 -137.362 -122.69 GPRESSURE: 436200 -247.642 -121.812 -122.805 -94.7141 35.2987 -95.5724 -125.145 -226.7 -50.9095 PRESSAVG: 436200 4.02213 -2.51521 26.4952 -2.51519 -31.8327 -23.0733 26.4952 -23.0732 43.5238 GPRESSAVG: 436200 4.16573 -3.72452 26.4584 -0.603166 -30.688 -23.8915 26.6961 -23.3306 41.5346 TIMING: 436200 CPU: 1267.32, 0.00290661/step Wall: 1267.32, 0.00290661/step, 3.68477 hours remaining, 204.109375 MB of memory in use. ENERGY: 436200 722.6158 2077.4804 1979.1675 114.2150 -206010.2490 17763.6558 0.0000 0.0000 34156.8695 -149196.2449 298.3004 -183353.1145 -149102.1557 298.5160 -114.3777 -87.7508 558462.4666 5.2377 5.0041 LDB: ============= START OF LOAD BALANCING ============== 1270.79 LDB: ============== END OF LOAD BALANCING =============== 1270.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1270.79 LDB: ============= START OF LOAD BALANCING ============== 1271.08 LDB: Largest compute 4820 load 0.026770 is 22.8% of average load 0.117550 LDB: Average compute 0.001729 is 1.5% of average load 0.117550 LDB: TIME 1271.08 LOAD: AVG 0.11755 MAX 0.176788 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.789 MB LDB: TIME 1271.08 LOAD: AVG 0.11755 MAX 0.176788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.797 MB LDB: TIME 1271.08 LOAD: AVG 0.11755 MAX 0.176788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.797 MB LDB: ============== END OF LOAD BALANCING =============== 1271.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1271.09 PRESSURE: 436400 -52.6615 -52.9065 236.796 -52.9064 -47.9062 40.4761 236.795 40.4754 -240.68 GPRESSURE: 436400 -22.7925 -136.787 56.6369 3.98582 14.6589 45.8482 260.124 33.6219 -232.536 PRESSAVG: 436400 -57.0924 25.3212 39.7139 25.3212 34.1714 -13.4002 39.7138 -13.4001 -13.0037 GPRESSAVG: 436400 -56.4889 27.7692 39.8405 22.989 34.2426 -12.0691 37.2304 -14.8898 -12.9654 TIMING: 436400 CPU: 1267.91, 0.00294947/step Wall: 1267.91, 0.00294947/step, 3.73894 hours remaining, 205.074219 MB of memory in use. ENERGY: 436400 752.5733 2136.1950 1972.2233 113.8148 -206198.0380 17892.9511 0.0000 0.0000 34357.7962 -148972.4844 300.0552 -183330.2805 -148872.3778 299.9272 -113.7492 -80.2231 558982.6769 -11.9749 -11.7372 PRESSURE: 436600 -70.5065 -180.65 -16.3116 -180.649 -53.6741 -142.933 -16.311 -142.933 -132.644 GPRESSURE: 436600 -23.6972 -175.843 -40.6182 -146.763 -27.4509 -104.154 52.6531 -76.5432 -108.928 PRESSAVG: 436600 13.1736 -16.7303 -10.8248 -16.7303 4.25846 -24.3711 -10.8247 -24.3711 -21.554 GPRESSAVG: 436600 11.49 -16.3509 -9.32437 -15.2881 5.92223 -24.7002 -9.30128 -23.2285 -21.6599 TIMING: 436600 CPU: 1268.49, 0.00288614/step Wall: 1268.49, 0.00288614/step, 3.6585 hours remaining, 205.074219 MB of memory in use. ENERGY: 436600 750.7143 2089.0546 1970.7470 119.7086 -205833.0374 17681.0650 0.0000 0.0000 34150.7454 -149071.0026 298.2470 -183221.7480 -148975.3917 300.0817 -85.6080 -53.3586 559403.8638 -1.3740 -1.4159 PRESSURE: 436800 -0.759418 99.9031 113.345 99.9041 -39.5173 -10.1443 113.345 -10.1462 -208.435 GPRESSURE: 436800 33.5577 38.5771 79.7122 117.664 -37.3612 67.0612 116.84 -64.8436 -143.007 PRESSAVG: 436800 -16.2451 -54.4892 21.1434 -54.4893 33.1865 -0.993152 21.1434 -0.993159 -31.7452 GPRESSAVG: 436800 -15.8893 -54.8968 18.3175 -52.7197 32.3804 -0.472969 21.6314 0.0586364 -31.7203 TIMING: 436800 CPU: 1269.07, 0.00289441/step Wall: 1269.07, 0.00289441/step, 3.66883 hours remaining, 205.074219 MB of memory in use. ENERGY: 436800 747.3871 2097.2421 1952.3375 103.9192 -205487.9155 17586.5970 0.0000 0.0000 34197.2608 -148803.1718 298.6532 -183000.4326 -148702.9570 299.7184 -82.9040 -48.9368 558890.1614 -4.9346 -5.0764 PRESSURE: 437000 -3.72694 16.5619 124.978 16.5623 -1.55341 118.771 124.978 118.77 207.45 GPRESSURE: 437000 21.7767 17.8299 161.048 11.6585 5.83375 26.7785 214.716 123.129 277.555 PRESSAVG: 437000 -9.90603 -87.9438 1.6416 -87.9439 -1.39741 -23.617 1.64151 -23.6169 12.845 GPRESSAVG: 437000 -10.2137 -87.0157 1.82082 -90.7948 -2.12929 -22.4056 2.28013 -25.6582 13.8119 TIMING: 437000 CPU: 1269.65, 0.00287988/step Wall: 1269.65, 0.00287988/step, 3.65025 hours remaining, 205.074219 MB of memory in use. ENERGY: 437000 756.0094 2127.1225 1976.2042 130.2682 -206291.2979 18019.6345 0.0000 0.0000 34569.3680 -148712.6911 301.9029 -183282.0591 -148614.3721 300.5962 67.3900 101.7217 558014.9509 0.5139 0.4896 PRESSURE: 437200 153.98 -77.1984 -45.445 -77.1997 -41.654 -228.061 -45.4452 -228.061 7.10181 GPRESSURE: 437200 144.905 -58.5453 -17.9554 -106.37 36.55 -195.037 -71.4719 -279.333 43.8745 PRESSAVG: 437200 32.0052 -60.0577 -12.1963 -60.0577 3.69249 -26.1046 -12.1962 -26.1045 -6.42881 GPRESSAVG: 437200 31.9733 -60.531 -10.4108 -59.6001 5.04416 -27.8158 -14.8708 -25.6379 -7.63879 TIMING: 437200 CPU: 1270.22, 0.00286655/step Wall: 1270.22, 0.00286655/step, 3.63319 hours remaining, 205.074219 MB of memory in use. ENERGY: 437200 717.0719 2094.3955 1973.2699 122.0551 -206007.7335 17977.3837 0.0000 0.0000 34263.7313 -148859.8261 299.2337 -183123.5574 -148758.6016 300.1363 39.8092 75.1100 558109.7328 9.7563 9.7929 PRESSURE: 437400 -115.455 26.5952 -96.8402 26.5952 -248.356 -36.9667 -96.84 -36.9669 -49.5438 GPRESSURE: 437400 -109.485 -26.4382 -136.49 50.4101 -219.588 -64.0285 -32.4959 1.91199 10.3073 PRESSAVG: 437400 55.3872 8.36114 14.4017 8.36112 -14.1144 24.9988 14.4016 24.9987 -48.3535 GPRESSAVG: 437400 56.2533 8.10586 14.6763 9.51616 -14.7441 24.6634 17.4643 23.8688 -47.8034 TIMING: 437400 CPU: 1270.8, 0.0028805/step Wall: 1270.8, 0.0028805/step, 3.65072 hours remaining, 205.074219 MB of memory in use. ENERGY: 437400 732.8494 2118.3275 1977.6521 117.1264 -205642.7166 17544.0501 0.0000 0.0000 34366.8098 -148785.9013 300.1339 -183152.7111 -148685.6259 299.9753 -137.7852 -106.2551 559387.4522 -2.3602 -2.0981 PRESSURE: 437600 203.157 1.56241 -147.359 1.56345 -178.03 64.7552 -147.36 64.7523 133.466 GPRESSURE: 437600 227.694 22.499 -128.594 34.4138 -150.604 75.6054 -128.349 11.6801 178.688 PRESSAVG: 437600 55.2748 34.3079 4.91726 34.3078 -58.408 38.23 4.91727 38.2302 27.1151 GPRESSAVG: 437600 54.763 34.8496 4.69422 32.3218 -58.4891 39.8664 4.39597 38.9563 27.2911 TIMING: 437600 CPU: 1271.37, 0.00288213/step Wall: 1271.37, 0.00288213/step, 3.65262 hours remaining, 205.074219 MB of memory in use. ENERGY: 437600 703.8660 2117.5749 1980.7820 116.6427 -206221.0724 17926.3393 0.0000 0.0000 34230.2470 -149145.6205 298.9413 -183375.8675 -149051.1390 299.9329 52.8646 85.2592 558798.1288 7.9940 7.8550 PRESSURE: 437800 298.573 -13.0627 88.3613 -13.063 25.4929 -8.12585 88.3603 -8.12682 233.357 GPRESSURE: 437800 330.49 24.8765 125.967 -53.222 66.4533 -37.2566 118.81 -7.92337 265.414 PRESSAVG: 437800 26.4925 20.4519 14.6845 20.4519 -49.4614 7.44111 14.6844 7.44113 6.82697 GPRESSAVG: 437800 27.9342 17.4497 13.2378 24.1022 -50.2254 5.2786 15.2691 7.46662 6.91879 TIMING: 437800 CPU: 1271.95, 0.00289343/step Wall: 1271.95, 0.00289343/step, 3.66678 hours remaining, 205.074219 MB of memory in use. ENERGY: 437800 710.4878 2101.0263 1981.0497 116.5198 -206316.3532 18031.8738 0.0000 0.0000 34315.0137 -149060.3819 299.6815 -183375.3957 -148969.8887 299.6156 185.8077 220.7858 557080.8892 -5.3806 -5.1241 PRESSURE: 438000 -68.9994 -68.6119 139.972 -68.6136 -223.225 78.3259 139.973 78.3266 2.05956 GPRESSURE: 438000 2.32338 -113.83 26.5197 -45.1197 -184.627 113.27 218.878 53.7207 -10.0363 PRESSAVG: 438000 -19.8346 33.2422 55.0026 33.2422 11.0775 -14.3378 55.0025 -14.3377 15.6216 GPRESSAVG: 438000 -20.9535 35.2875 54.3027 31.0354 12.7871 -13.191 52.4959 -13.7111 14.8582 TIMING: 438000 CPU: 1272.52, 0.00286567/step Wall: 1272.52, 0.00286567/step, 3.63144 hours remaining, 205.074219 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: 438000 794.6530 2085.6300 1982.9006 110.1454 -206043.7536 17829.8465 0.0000 0.0000 34263.0626 -148977.5156 299.2278 -183240.5782 -148886.6711 299.8755 -96.7217 -64.1133 559557.5312 2.2882 2.2306 PRESSURE: 438200 173.376 40.7521 75.0529 40.7541 54.236 -9.24224 75.0542 -9.24132 13.2043 GPRESSURE: 438200 176.467 41.4722 66.2255 19.4113 119.314 -1.50852 81.4172 49.5789 35.3116 PRESSAVG: 438200 75.4273 -46.4075 37.6935 -46.4075 7.25727 -0.87681 37.6937 -0.876891 -39.5458 GPRESSAVG: 438200 74.9061 -46.4011 37.6653 -47.4005 7.12424 -1.00255 38.2522 -0.993127 -38.2952 TIMING: 438200 CPU: 1273.1, 0.0028763/step Wall: 1273.1, 0.0028763/step, 3.64475 hours remaining, 205.074219 MB of memory in use. ENERGY: 438200 741.9469 2023.1764 2017.6999 121.3384 -206359.4401 18070.6799 0.0000 0.0000 34310.2442 -149074.3544 299.6399 -183384.5985 -148983.5426 299.2951 80.2722 110.3643 558991.6978 14.3796 14.5784 PRESSURE: 438400 2.05136 26.8108 12.2944 26.8105 -84.1924 108.587 12.2927 108.588 -54.0013 GPRESSURE: 438400 15.6044 30.3118 78.1183 54.3824 -35.4049 135.778 -64.3135 40.2776 -24.1329 PRESSAVG: 438400 72.354 -0.489858 -17.1975 -0.489833 22.6336 21.3699 -17.1975 21.3698 -68.5252 GPRESSAVG: 438400 72.8861 -2.10394 -17.3858 0.536534 23.0853 19.7919 -14.1997 22.8738 -69.5386 TIMING: 438400 CPU: 1273.68, 0.002897/step Wall: 1273.68, 0.002897/step, 3.67082 hours remaining, 205.074219 MB of memory in use. ENERGY: 438400 732.6635 2083.6207 1989.1612 119.3627 -206449.5413 17985.4758 0.0000 0.0000 34346.8247 -149192.4329 299.9594 -183539.2575 -149095.7546 299.1139 -45.3808 -14.6445 557870.4588 8.8208 8.8109 PRESSURE: 438600 19.7589 -218.511 53.6156 -218.511 160.709 37.3643 53.6153 37.3639 -70.8184 GPRESSURE: 438600 48.7324 -269.526 99.0968 -128.446 188.312 -45.7061 40.5562 46.1149 -27.1724 PRESSAVG: 438600 51.5292 -37.0292 -9.20979 -37.0292 5.94019 27.4885 -9.20977 27.4885 -28.9562 GPRESSAVG: 438600 52.8517 -36.0854 -6.78668 -36.9377 5.95695 29.0526 -11.6452 25.4609 -29.8507 TIMING: 438600 CPU: 1274.26, 0.00289622/step Wall: 1274.26, 0.00289622/step, 3.66968 hours remaining, 205.074219 MB of memory in use. ENERGY: 438600 752.2186 2055.0013 1996.9101 115.2541 -206543.9337 17988.8143 0.0000 0.0000 34172.6308 -149463.1045 298.4381 -183635.7353 -149365.3200 298.8376 36.5500 69.9572 557900.8175 9.5044 9.6526 PRESSURE: 438800 23.0656 11.3338 81.3904 11.3331 234.799 114.282 81.3914 114.281 288.8 GPRESSURE: 438800 46.7333 37.7248 17.1807 -65.1617 255.602 78.555 108.067 133.416 347.577 PRESSAVG: 438800 38.1276 -0.778796 -23.1964 -0.778824 -44.9346 -34.2519 -23.1963 -34.2519 -24.9539 GPRESSAVG: 438800 36.8124 -0.557361 -23.5259 -1.39505 -45.3435 -34.865 -22.7174 -35.0389 -23.7359 TIMING: 438800 CPU: 1274.83, 0.00288029/step Wall: 1274.83, 0.00288029/step, 3.64933 hours remaining, 205.074219 MB of memory in use. ENERGY: 438800 758.4790 2063.7764 2036.1728 121.2455 -206912.4084 18199.9848 0.0000 0.0000 34448.9098 -149283.8401 300.8509 -183732.7499 -149193.5422 298.3806 182.2213 216.6374 556988.5203 -10.5870 -10.7557 PRESSURE: 439000 209.882 -71.0494 106.747 -71.0492 281.122 -21.5102 106.746 -21.5117 344.271 GPRESSURE: 439000 237.59 -73.0037 28.9294 -108.836 331.736 -55.3416 126.784 -103.354 356.704 PRESSAVG: 439000 -45.5426 -56.922 -6.8511 -56.922 1.90987 -0.853407 -6.8511 -0.853349 32.6151 GPRESSAVG: 439000 -44.8547 -57.6481 -7.79535 -56.9452 2.7925 -0.683959 -6.69399 0.630088 31.1623 TIMING: 439000 CPU: 1275.41, 0.00287866/step Wall: 1275.41, 0.00287866/step, 3.6471 hours remaining, 205.074219 MB of memory in use. ENERGY: 439000 753.7424 2089.9326 1967.5756 111.1936 -206850.8967 18421.4947 0.0000 0.0000 34226.0046 -149280.9531 298.9042 -183506.9577 -149179.8215 298.4517 278.4248 308.6768 556781.4161 -3.6726 -3.6333 PRESSURE: 439200 -277.173 -76.4686 -197.701 -76.4693 -151.898 -5.37989 -197.701 -5.37995 -202.923 GPRESSURE: 439200 -270.356 -72.7973 -197.137 -56.8316 -131.416 37.1072 -154.154 28.1251 -141.506 PRESSAVG: 439200 -21.0219 33.9974 -3.72089 33.9974 25.7881 5.22765 -3.72092 5.2276 -13.9779 GPRESSAVG: 439200 -21.7446 33.7062 -3.92166 34.0985 24.8118 4.87626 -3.75625 4.82994 -12.5218 TIMING: 439200 CPU: 1275.99, 0.0028847/step Wall: 1275.99, 0.0028847/step, 3.65459 hours remaining, 205.074219 MB of memory in use. ENERGY: 439200 769.6817 2123.8548 1974.1729 110.7557 -205897.8904 17603.7138 0.0000 0.0000 34110.0506 -149205.6609 297.8916 -183315.7115 -149108.9217 299.0540 -210.6647 -181.0927 559404.5402 -3.0706 -3.1515 PRESSURE: 439400 109.517 35.1106 1.22877 35.1094 16.6484 -16.165 1.22745 -16.1668 46.9067 GPRESSURE: 439400 185.29 14.4963 -87.7114 54.8971 -14.8649 -0.565432 -29.2656 -52.6274 102.418 PRESSAVG: 439400 14.4759 36.8989 2.52802 36.8989 -5.18618 -73.0269 2.52801 -73.0269 -7.37617 GPRESSAVG: 439400 15.0838 37.689 4.65202 36.7851 -6.11544 -73.0411 0.595547 -72.7918 -6.35272 TIMING: 439400 CPU: 1276.56, 0.0028782/step Wall: 1276.56, 0.0028782/step, 3.6462 hours remaining, 205.074219 MB of memory in use. ENERGY: 439400 718.4266 2042.1307 1993.3389 108.9043 -206174.9427 17966.1304 0.0000 0.0000 34110.7770 -149235.2348 297.8979 -183346.0118 -149141.4334 298.4565 57.6907 90.9475 559144.9640 0.6378 0.8719 PRESSURE: 439600 -245.283 -141.995 -39.3422 -141.995 -27.3225 18.2184 -39.3428 18.2191 150.79 GPRESSURE: 439600 -199.106 -106.602 -33.7062 -137.706 30.8646 52.9778 33.2053 -80.1868 147.945 PRESSAVG: 439600 21.905 14.7911 -38.0482 14.7911 -50.304 3.77399 -38.0483 3.774 43.4556 GPRESSAVG: 439600 22.7838 15.1515 -39.4209 15.2238 -49.7347 5.73462 -37.1495 2.80151 41.5453 TIMING: 439600 CPU: 1277.14, 0.00287637/step Wall: 1277.14, 0.00287637/step, 3.64372 hours remaining, 205.144531 MB of memory in use. ENERGY: 439600 799.3275 2102.3325 1994.2272 104.9552 -206503.5264 18042.5496 0.0000 0.0000 34307.9314 -149152.2031 299.6197 -183460.1345 -149056.3908 298.9315 -40.6051 -6.7652 559371.3061 5.0189 4.8648 PRESSURE: 439800 203.734 -4.5982 151.673 -4.59892 258.27 -24.155 151.673 -24.1561 -19.8959 GPRESSURE: 439800 215.196 -105.1 186.357 10.0125 248.022 94.856 128.804 -63.4282 87.2144 PRESSAVG: 439800 30.496 -0.107404 40.789 -0.107417 -82.1355 49.8016 40.7891 49.8015 66.2178 GPRESSAVG: 439800 29.5271 -0.0402514 40.8302 -0.520099 -81.1455 49.8773 42.4109 47.7005 65.8727 TIMING: 439800 CPU: 1277.71, 0.00288821/step Wall: 1277.71, 0.00288821/step, 3.65855 hours remaining, 205.144531 MB of memory in use. ENERGY: 439800 736.0679 2058.5589 1993.1279 123.5499 -206311.0675 18037.1363 0.0000 0.0000 34131.9023 -149230.7243 298.0824 -183362.6266 -149137.5719 299.3933 147.3692 183.4775 557840.8858 4.8595 4.7514 PRESSURE: 440000 -65.0483 -85.593 -5.47496 -85.5937 -344.05 6.6486 -5.47387 6.64916 -233.441 GPRESSURE: 440000 -14.4 -116.293 51.3839 -87.6757 -273.004 -25.2788 -100.287 27.1221 -246.04 PRESSAVG: 440000 44.8777 40.4784 39.1362 40.4783 -6.7239 6.03038 39.1362 6.03037 -8.81668 GPRESSAVG: 440000 43.9533 40.4751 38.2737 39.9234 -6.09347 2.17913 40.6063 8.6178 -7.95098 TIMING: 440000 CPU: 1278.29, 0.00290065/step Wall: 1278.29, 0.00290065/step, 3.67416 hours remaining, 205.144531 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: 440000 743.0897 2034.7951 1994.6932 108.5684 -205845.9186 17603.1599 0.0000 0.0000 34074.7008 -149286.9115 297.5828 -183361.6123 -149189.4366 298.3734 -214.1798 -177.8150 558639.7010 9.7790 9.9696 PRESSURE: 440200 109.058 89.1754 -61.0079 89.1766 -34.9435 90.5443 -61.0077 90.5428 -73.8036 GPRESSURE: 440200 144.494 206.712 -75.7597 43.0644 9.09849 49.9585 -140.705 29.2905 -58.4902 PRESSAVG: 440200 49.9372 8.493 1.75805 8.49303 -22.7015 9.24795 1.75802 9.24797 30.1471 GPRESSAVG: 440200 50.6004 8.15019 2.98229 9.542 -22.1371 11.3749 -1.83026 7.30381 28.9754 TIMING: 440200 CPU: 1278.87, 0.00288375/step Wall: 1278.87, 0.00288375/step, 3.65259 hours remaining, 205.144531 MB of memory in use. ENERGY: 440200 722.7742 2035.9555 2006.7473 120.1627 -206553.7491 18029.1999 0.0000 0.0000 34364.8936 -149274.0158 300.1172 -183638.9095 -149173.6487 298.7210 0.1035 31.7007 557984.2054 19.1276 19.1462 LDB: ============= START OF LOAD BALANCING ============== 1282.34 LDB: ============== END OF LOAD BALANCING =============== 1282.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1282.34 LDB: ============= START OF LOAD BALANCING ============== 1282.63 LDB: Largest compute 4820 load 0.026445 is 22.5% of average load 0.117648 LDB: Average compute 0.001724 is 1.5% of average load 0.117648 LDB: TIME 1282.63 LOAD: AVG 0.117648 MAX 0.179775 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.812 MB LDB: TIME 1282.63 LOAD: AVG 0.117648 MAX 0.179775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.016 MB LDB: TIME 1282.63 LOAD: AVG 0.117648 MAX 0.179775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1282.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1282.64 PRESSURE: 440400 121.78 -76.1276 30.5087 -76.128 -85.3999 64.1553 30.5101 64.1565 106.106 GPRESSURE: 440400 161.752 -37.1794 26.8407 -31.2885 -67.2184 123.497 44.1939 28.5249 140.302 PRESSAVG: 440400 -9.62718 -48.1843 27.4417 -48.1843 30.1322 44.1017 27.4418 44.1017 -25.3771 GPRESSAVG: 440400 -10.1283 -48.6815 24.7055 -48.1722 29.4359 44.254 30.1382 45.3609 -23.7662 TIMING: 440400 CPU: 1279.46, 0.00295239/step Wall: 1279.46, 0.00295239/step, 3.73936 hours remaining, 203.261719 MB of memory in use. ENERGY: 440400 754.2728 2042.3977 1982.8343 119.2245 -206256.9683 17915.4192 0.0000 0.0000 34167.9083 -149274.9114 298.3968 -183442.8197 -149182.6117 298.9485 47.4954 78.2782 556147.1492 -1.6240 -1.4862 PRESSURE: 440600 -83.4112 -143.767 72.1439 -143.766 -290.804 82.4681 72.1437 82.4681 -75.3917 GPRESSURE: 440600 -65.0726 -133.289 55.3869 -189.247 -279.314 -13.3052 119.532 136.23 4.16281 PRESSAVG: 440600 25.2088 -18.0621 68.9851 -18.0621 -2.86331 1.92135 68.985 1.92142 33.6604 GPRESSAVG: 440600 25.2326 -18.0804 70.8311 -17.3749 -2.67956 0.597329 67.2823 2.59639 33.5367 TIMING: 440600 CPU: 1280.04, 0.00287801/step Wall: 1280.04, 0.00287801/step, 3.645 hours remaining, 203.328125 MB of memory in use. ENERGY: 440600 722.2149 2066.3934 1959.2747 122.5529 -205760.2173 17563.8883 0.0000 0.0000 34101.3770 -149224.5160 297.8158 -183325.8930 -149126.1184 298.3635 -149.8690 -113.4080 557828.6577 18.6686 18.6966 PRESSURE: 440800 105.643 23.9668 -19.6365 23.9675 -206.802 149.069 -19.6364 149.067 112.454 GPRESSURE: 440800 91.6836 56.3384 13.1975 -8.14402 -116.377 174.672 -10.4328 111.875 134.421 PRESSAVG: 440800 48.7611 -33.8618 44.514 -33.8618 -57.207 66.921 44.514 66.921 -13.4761 GPRESSAVG: 440800 50.1952 -33.142 43.1369 -34.1206 -57.4553 67.3891 44.728 65.4784 -14.1287 TIMING: 440800 CPU: 1280.61, 0.0028832/step Wall: 1280.61, 0.0028832/step, 3.65141 hours remaining, 203.328125 MB of memory in use. ENERGY: 440800 689.6650 2109.8222 1954.7001 112.0365 -206191.6891 17922.0813 0.0000 0.0000 34240.4790 -149162.9049 299.0306 -183403.3839 -149067.8896 298.7002 3.7650 36.5758 559856.0636 -7.3073 -7.1296 PRESSURE: 441000 -386.121 90.4033 28.4875 90.4017 -188.028 33.8731 28.4874 33.8721 -236.911 GPRESSURE: 441000 -403.585 145.446 15.0292 119.962 -57.9949 98.8155 14.0001 46.0689 -259.449 PRESSAVG: 441000 -12.5705 -34.1179 13.2284 -34.1179 -22.5734 19.9249 13.2284 19.9251 37.3235 GPRESSAVG: 441000 -13.4356 -34.6524 14.164 -34.3356 -21.9551 21.8891 12.9139 19.8418 37.3245 TIMING: 441000 CPU: 1281.19, 0.00290277/step Wall: 1281.19, 0.00290277/step, 3.67603 hours remaining, 203.328125 MB of memory in use. ENERGY: 441000 738.5089 2133.1228 1978.2885 127.1355 -205831.0438 17399.9569 0.0000 0.0000 34473.0945 -148980.9368 301.0621 -183454.0313 -148885.1973 299.3101 -270.3531 -240.3427 560519.8772 0.7265 0.6446 PRESSURE: 441200 -53.5307 -66.7784 -64.8412 -66.7782 -55.6038 133 -64.8411 133.001 199.904 GPRESSURE: 441200 15.4414 -70.9787 -69.5189 18.1383 -7.90552 64.4717 -93.1986 120.679 183.648 PRESSAVG: 441200 7.50808 55.6921 69.8747 55.6921 7.36969 0.322323 69.8747 0.322382 -17.9028 GPRESSAVG: 441200 8.36619 55.2562 68.8992 56.7774 7.20686 -2.62159 70.3496 2.22861 -17.7593 TIMING: 441200 CPU: 1281.77, 0.0028996/step Wall: 1281.77, 0.0028996/step, 3.67186 hours remaining, 203.328125 MB of memory in use. ENERGY: 441200 738.2322 2072.2581 1975.5832 119.6375 -206387.5447 17912.9757 0.0000 0.0000 34326.7520 -149242.1061 299.7841 -183568.8581 -149141.4452 299.5478 30.2564 63.7279 559242.8573 -1.0083 -0.7288 PRESSURE: 441400 -41.8686 -169.105 -91.7442 -169.106 -40.7744 165.293 -91.7445 165.292 -69.2298 GPRESSURE: 441400 -62.3866 -160.333 14.091 -94.6342 11.2636 133.432 -181.017 139.832 -3.57744 PRESSAVG: 441400 -9.46793 -19.3782 32.9414 -19.3782 -9.23288 32.1873 32.9415 32.1875 40.5004 GPRESSAVG: 441400 -10.4356 -20.2679 33.514 -20.274 -8.95423 32.3763 32.6267 30.9376 41.6519 TIMING: 441400 CPU: 1282.35, 0.00288044/step Wall: 1282.35, 0.00288044/step, 3.64743 hours remaining, 203.328125 MB of memory in use. ENERGY: 441400 764.6183 2086.1325 1991.3767 110.1586 -206001.9277 17692.7486 0.0000 0.0000 34198.9477 -149157.9453 298.6679 -183356.8930 -149064.7370 299.3822 -50.6243 -18.2335 557955.2371 7.2665 7.4207 PRESSURE: 441600 37.5548 -60.3229 -39.8443 -60.3242 -9.78587 -71.7695 -39.8448 -71.7697 171.818 GPRESSURE: 441600 82.8302 -86.2309 -37.7247 -182.339 15.8172 -62.6796 -64.1297 -31.5784 196.293 PRESSAVG: 441600 18.1409 -1.32785 -5.48981 -1.32787 -14.2408 8.70239 -5.48982 8.70235 -0.0066619 GPRESSAVG: 441600 17.6154 -1.1185 -6.66928 -3.69748 -14.0575 9.68891 -4.4012 9.18638 -0.0563553 TIMING: 441600 CPU: 1282.93, 0.00287902/step Wall: 1282.93, 0.00287902/step, 3.64548 hours remaining, 203.328125 MB of memory in use. ENERGY: 441600 775.2827 2099.9968 1991.6214 114.6146 -206659.4626 18186.6100 0.0000 0.0000 34338.4860 -149152.8510 299.8865 -183491.3370 -149051.6057 299.3187 66.5289 98.3134 558840.9779 1.2978 1.1672 PRESSURE: 441800 -91.162 -81.8811 128.914 -81.8815 -133.051 70.6924 128.913 70.691 -144.804 GPRESSURE: 441800 10.6689 -57.7251 223.823 -92.8498 -193.258 103.713 32.1222 40.3605 -89.589 PRESSAVG: 441800 12.6446 -27.9751 55.3867 -27.9751 -38.6587 3.68431 55.3868 3.68442 -4.10808 GPRESSAVG: 441800 13.4234 -26.1116 57.6362 -25.3993 -39.6579 4.71758 54.5655 3.32503 -3.65805 TIMING: 441800 CPU: 1283.5, 0.00286551/step Wall: 1283.5, 0.00286551/step, 3.62821 hours remaining, 203.328125 MB of memory in use. ENERGY: 441800 751.9463 2076.2773 1968.9120 116.3787 -205926.7711 17701.8601 0.0000 0.0000 34043.8153 -149267.5814 297.3131 -183311.3967 -149167.7770 298.5044 -123.0057 -90.7262 558488.8127 -10.0407 -9.9642 PRESSURE: 442000 42.2481 98.4109 -78.9068 98.4115 -38.9852 70.3387 -78.9077 70.3383 14.2982 GPRESSURE: 442000 -15.2687 138.469 -109.853 56.9334 28.3006 92.4633 17.2636 76.216 96.1072 PRESSAVG: 442000 34.8234 -0.124472 -11.7057 -0.124392 -42.6714 35.3487 -11.7056 35.3486 18.2633 GPRESSAVG: 442000 34.9662 -2.94763 -11.8357 1.26021 -42.5795 34.5214 -13.7068 35.0359 18.0259 TIMING: 442000 CPU: 1284.07, 0.00287143/step Wall: 1284.07, 0.00287143/step, 3.63555 hours remaining, 203.328125 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: 442000 775.2515 2132.9636 1974.7334 118.8723 -206309.3885 17873.7213 0.0000 0.0000 34234.6772 -149199.1692 298.9800 -183433.8464 -149098.7903 298.6591 5.8537 36.3797 556833.3422 3.4718 3.4708 PRESSURE: 442200 -0.0305309 -21.3164 37.3356 -21.3176 -88.0078 116.453 37.3351 116.453 143.608 GPRESSURE: 442200 26.8875 -7.01355 -42.8636 -146.623 -54.9138 130.369 36.9969 83.9953 165.821 PRESSAVG: 442200 -7.92349 27.9703 47.2079 27.9703 12.9674 3.20396 47.2079 3.20398 -4.026 GPRESSAVG: 442200 -7.90193 31.6893 44.5285 25.2021 12.7226 3.4145 48.9548 2.0418 -4.2848 TIMING: 442200 CPU: 1284.65, 0.00286483/step Wall: 1284.65, 0.00286483/step, 3.62703 hours remaining, 203.328125 MB of memory in use. ENERGY: 442200 745.2542 2085.8441 1984.5056 116.7200 -206688.1162 18154.6479 0.0000 0.0000 34351.8194 -149249.3251 300.0030 -183601.1445 -149152.9192 299.1112 18.5232 45.9316 556829.0261 0.3393 0.1786 PRESSURE: 442400 -112.604 74.5331 -10.5856 74.5356 -124.255 -46.6365 -10.5858 -46.6369 49.1226 GPRESSURE: 442400 -64.0883 79.2117 9.04001 94.2202 -102.155 -81.8607 -18.19 -54.4218 72.4626 PRESSAVG: 442400 11.6803 22.7314 88.7286 22.7316 -8.54057 21.6657 88.7286 21.6657 -9.48497 GPRESSAVG: 442400 12.5809 20.6159 90.1143 24.1132 -8.36377 22.8571 87.8485 21.2415 -10.433 TIMING: 442400 CPU: 1285.23, 0.00289889/step Wall: 1285.23, 0.00289889/step, 3.67 hours remaining, 203.328125 MB of memory in use. ENERGY: 442400 740.7722 2125.5217 1988.1570 128.1643 -206337.8682 17726.7251 0.0000 0.0000 34077.1241 -149551.4039 297.6040 -183628.5280 -149456.4834 298.1942 -62.5788 -31.2603 558007.7839 -2.1151 -2.0720 PRESSURE: 442600 -110.104 49.8796 108.526 49.8808 -325.311 178.203 108.526 178.202 37.1827 GPRESSURE: 442600 -70.5945 83.1959 16.3357 83.2812 -304.763 147.219 141.531 120.805 80.8666 PRESSAVG: 442600 36.8817 5.71984 67.0503 5.71983 -32.9833 68.365 67.0504 68.3651 -27.0641 GPRESSAVG: 442600 36.7245 4.50695 67.8064 4.07424 -33.6469 67.4598 68.23 69.5419 -26.3021 TIMING: 442600 CPU: 1285.8, 0.002882/step Wall: 1285.8, 0.002882/step, 3.64846 hours remaining, 203.328125 MB of memory in use. ENERGY: 442600 753.5312 2103.9101 1982.5750 121.6888 -206127.4731 17658.0683 0.0000 0.0000 33964.0510 -149543.6487 296.6165 -183507.6997 -149443.2215 298.4522 -132.7441 -98.1635 557767.5152 -7.7219 -7.7415 PRESSURE: 442800 -136.069 -54.2449 -5.60544 -54.2466 -155.84 -21.6041 -5.60555 -21.6041 -557.667 GPRESSURE: 442800 -92.2201 -110.525 64.886 -69.7665 -107.189 -18.0113 -28.8857 12.819 -557.386 PRESSAVG: 442800 30.9461 8.71083 28.5574 8.71076 -27.5173 -30.3424 28.5573 -30.3423 8.36891 GPRESSAVG: 442800 29.7696 9.47839 29.3453 11.0168 -26.3348 -29.4888 26.7394 -28.5887 8.42301 TIMING: 442800 CPU: 1286.38, 0.00285958/step Wall: 1286.38, 0.00285958/step, 3.61991 hours remaining, 203.531250 MB of memory in use. ENERGY: 442800 796.4559 2099.3795 1963.3970 116.9202 -206119.5029 17623.3209 0.0000 0.0000 34091.4443 -149428.5851 297.7291 -183520.0294 -149323.3252 299.1861 -283.1921 -252.2650 557939.9726 3.9326 3.9526 PRESSURE: 443000 -145.542 51.8717 -152.019 51.8722 -30.8398 25.9975 -152.018 25.9972 -358.172 GPRESSURE: 443000 -152.21 27.9917 -215.348 52.7267 20.1625 72.4474 -91.1988 -1.39427 -298.55 PRESSAVG: 443000 103.858 -18.4155 -30.4483 -18.4155 -34.4869 -29.7968 -30.4484 -29.7968 -70.6927 GPRESSAVG: 443000 103.779 -16.0211 -31.4298 -20.3218 -34.5005 -30.9661 -29.4828 -32.3023 -70.8668 TIMING: 443000 CPU: 1286.95, 0.00287484/step Wall: 1286.95, 0.00287484/step, 3.63907 hours remaining, 203.531250 MB of memory in use. ENERGY: 443000 779.6921 2123.9805 1969.5192 116.3375 -206145.1818 17503.2461 0.0000 0.0000 34189.5352 -149462.8713 298.5857 -183652.4064 -149360.7057 298.4445 -178.1845 -143.5325 557746.1478 -0.4405 -0.5295 PRESSURE: 443200 -105.6 -96.0608 -201.909 -96.0609 197.605 -90.7585 -201.909 -90.7593 181.395 GPRESSURE: 443200 -70.3499 -84.0942 -109.081 -130.466 195.227 -86.7319 -185.525 -26.9712 262.256 PRESSAVG: 443200 -40.6561 -14.6244 -18.1572 -14.6244 60.0146 -29.2531 -18.1571 -29.2532 -35.5609 GPRESSAVG: 443200 -39.3903 -17.4869 -17.4911 -13.4089 59.2979 -28.144 -16.3652 -29.0009 -36.4584 TIMING: 443200 CPU: 1287.53, 0.00289848/step Wall: 1287.53, 0.00289849/step, 3.66884 hours remaining, 203.531250 MB of memory in use. ENERGY: 443200 730.7868 2118.9388 1961.9270 119.3437 -206494.9907 17945.0804 0.0000 0.0000 34269.9292 -149348.9849 299.2878 -183618.9141 -149260.0788 298.2892 91.1331 129.0443 557714.3613 -5.4008 -5.5170 PRESSURE: 443400 -366.801 92.769 -52.8915 92.7682 -244.093 -146.452 -52.8915 -146.452 18.6164 GPRESSURE: 443400 -340.746 86.6762 -35.3201 66.0425 -173.998 -148.846 -53.8058 -240.683 30.1986 PRESSAVG: 443400 -4.74727 -39.9508 -11.356 -39.9509 -30.9192 -85.8991 -11.3559 -85.8991 19.0579 GPRESSAVG: 443400 -4.62574 -38.2242 -11.3195 -42.9113 -31.8672 -87.5975 -13.0183 -85.2544 20.0764 TIMING: 443400 CPU: 1288.11, 0.0028893/step Wall: 1288.11, 0.0028893/step, 3.65705 hours remaining, 203.531250 MB of memory in use. ENERGY: 443400 741.9312 2142.2026 1982.4182 106.6297 -206389.3820 17724.0251 0.0000 0.0000 34295.3725 -149396.8028 299.5100 -183692.1753 -149300.8447 298.5361 -197.4262 -161.5151 557684.6220 -5.5362 -5.4722 PRESSURE: 443600 -40.347 51.9847 -28.8006 51.9858 -267.031 -164.26 -28.7997 -164.26 -35.3243 GPRESSURE: 443600 31.9781 7.29803 -81.3228 91.3081 -276.633 -288.816 -41.2528 -85.7405 -11.1978 PRESSAVG: 443600 11.6743 -12.6698 -6.41893 -12.6698 -13.0193 -50.5257 -6.41885 -50.5257 -16.282 GPRESSAVG: 443600 11.7056 -12.7525 -7.85578 -11.0427 -13.4347 -49.6554 -4.96533 -49.7931 -16.1801 TIMING: 443600 CPU: 1288.69, 0.00288898/step Wall: 1288.69, 0.00288898/step, 3.65649 hours remaining, 203.531250 MB of memory in use. ENERGY: 443600 726.2746 2148.1537 1974.7055 114.3048 -206210.4681 17605.1307 0.0000 0.0000 34067.7083 -149574.1906 297.5218 -183641.8989 -149473.1744 298.1503 -114.2341 -85.2841 558154.5148 -5.8757 -5.9697 PRESSURE: 443800 73.0047 6.72517 -57.9697 6.72481 -5.9165 -221.793 -57.97 -221.792 65.0273 GPRESSURE: 443800 183.651 -6.2583 -60.3174 13.5626 -38.0676 -265.287 -95.6569 -161.444 87.7799 PRESSAVG: 443800 54.0586 -28.6953 -78.5511 -28.6952 -33.7853 -91.4235 -78.5511 -91.4235 9.35606 GPRESSAVG: 443800 53.3989 -27.6088 -76.833 -29.3282 -34.4039 -92.6818 -79.5051 -91.3381 10.5677 TIMING: 443800 CPU: 1289.26, 0.00288702/step Wall: 1289.26, 0.00288702/step, 3.65385 hours remaining, 203.531250 MB of memory in use. ENERGY: 443800 735.6789 2091.6157 1958.3030 107.4103 -206398.1422 17823.8183 0.0000 0.0000 34149.5270 -149531.7890 298.2363 -183681.3161 -149425.8802 298.0841 44.0385 77.7876 556076.4465 9.8764 9.8543 PRESSURE: 444000 115.275 83.4627 -46.2826 83.464 233.075 89.1232 -46.2827 89.1224 -103.561 GPRESSURE: 444000 151.18 108.85 -31.026 16.3912 232.433 208.96 -105.302 75.5358 -36.6866 PRESSAVG: 444000 -43.3776 -18.1367 -81.99 -18.1367 43.3678 -24.7617 -81.99 -24.7617 -14.3103 GPRESSAVG: 444000 -42.4627 -20.7862 -81.9179 -15.8753 44.4963 -24.3584 -82.4645 -23.5455 -16.8358 TIMING: 444000 CPU: 1289.84, 0.00287868/step Wall: 1289.84, 0.00287868/step, 3.64313 hours remaining, 203.531250 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: 444000 748.9654 2100.0613 1992.3334 103.7140 -206448.0682 17990.6697 0.0000 0.0000 33990.1910 -149522.1334 296.8448 -183512.3245 -149430.4042 298.0644 81.5961 115.6422 556697.3567 -4.7733 -4.9341 PRESSURE: 444200 23.8327 143.928 61.5845 143.928 -164.486 42.3253 61.5846 42.3264 -238.344 GPRESSURE: 444200 16.3027 104.071 5.48099 132.845 -83.7709 80.5909 132.745 5.87428 -217.445 PRESSAVG: 444200 -6.53202 -18.0504 -61.0766 -18.0504 48.681 -41.8307 -61.0766 -41.8307 -55.0356 GPRESSAVG: 444200 -7.2592 -15.8021 -61.9663 -18.1799 49.7226 -40.1581 -59.1075 -44.499 -54.5845 TIMING: 444200 CPU: 1290.42, 0.00289147/step Wall: 1290.42, 0.00289147/step, 3.65916 hours remaining, 203.531250 MB of memory in use. ENERGY: 444200 759.4528 2145.2368 1971.8490 104.4808 -206487.5099 17844.1339 0.0000 0.0000 34236.3037 -149426.0528 298.9942 -183662.3566 -149340.4292 299.1771 -126.3325 -94.9710 557615.2756 -4.2955 -4.0404 LDB: ============= START OF LOAD BALANCING ============== 1293.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1293.88 LDB: =============== DONE WITH MIGRATION ================ 1293.89 LDB: ============= START OF LOAD BALANCING ============== 1294.18 LDB: Largest compute 4820 load 0.025594 is 21.8% of average load 0.117514 LDB: Average compute 0.001726 is 1.5% of average load 0.117514 LDB: TIME 1294.18 LOAD: AVG 0.117514 MAX 0.180718 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.098 MB LDB: TIME 1294.18 LOAD: AVG 0.117514 MAX 0.180718 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: TIME 1294.18 LOAD: AVG 0.117514 MAX 0.180718 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1294.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1294.19 PRESSURE: 444400 -185.335 85.7593 -49.5976 85.7594 -131.099 143.169 -49.5982 143.169 -38.5639 GPRESSURE: 444400 -196.526 48.876 -106.146 102.04 -105.863 176.375 -60.4893 48.5028 38.3996 PRESSAVG: 444400 -27.8039 -28.8691 -32.0697 -28.8691 34.2121 10.5628 -32.0697 10.5627 -19.0872 GPRESSAVG: 444400 -28.1638 -30.9451 -32.5216 -28.1433 33.8306 8.54434 -33.6446 11.4995 -18.2171 TIMING: 444400 CPU: 1291.01, 0.0029681/step Wall: 1291.01, 0.0029681/step, 3.75597 hours remaining, 206.101562 MB of memory in use. ENERGY: 444400 750.9102 2101.2821 1988.1614 107.0273 -206144.2103 17678.1365 0.0000 0.0000 34217.8824 -149300.8104 298.8333 -183518.6928 -149209.1327 299.2643 -118.3328 -87.9965 559198.8356 -4.2263 -4.1834 PRESSURE: 444600 -147.836 53.9635 -60.3123 53.9647 81.2204 111.14 -60.3115 111.141 -167.028 GPRESSURE: 444600 -64.7626 53.1881 -103.886 95.6815 53.8472 157.408 9.54697 56.3295 -123.004 PRESSAVG: 444600 35.8187 4.4239 46.8347 4.42382 -35.8712 62.5592 46.8348 62.5592 -14.6343 GPRESSAVG: 444600 37.8226 3.46761 45.9416 5.40539 -37.1639 61.9987 48.3376 61.0262 -15.0155 TIMING: 444600 CPU: 1291.59, 0.00290442/step Wall: 1291.59, 0.00290442/step, 3.67523 hours remaining, 206.101562 MB of memory in use. ENERGY: 444600 767.4663 2060.4490 1965.1922 123.7086 -206320.2794 17957.9644 0.0000 0.0000 34236.8557 -149208.6431 298.9990 -183445.4989 -149113.9378 299.2842 -77.8811 -44.6399 557167.2579 -4.8956 -4.7856 PRESSURE: 444800 77.8525 -218.371 63.2178 -218.37 23.6506 177.22 63.2163 177.219 -65.2505 GPRESSURE: 444800 139.184 -137.011 -5.43093 -205.757 70.8824 195.095 137.948 171.977 -85.2437 PRESSAVG: 444800 34.2094 -14.6711 -25.6615 -14.6711 17.5127 42.6899 -25.6615 42.6898 -75.0548 GPRESSAVG: 444800 33.8164 -12.6805 -24.1164 -17.6612 18.4135 43.3618 -25.9333 43.9233 -75.5623 TIMING: 444800 CPU: 1292.17, 0.00290632/step Wall: 1292.17, 0.00290632/step, 3.67746 hours remaining, 206.234375 MB of memory in use. ENERGY: 444800 715.7398 2172.3273 1981.7060 116.1209 -206501.5809 17903.9206 0.0000 0.0000 34457.9516 -149153.8147 300.9299 -183611.7663 -149056.9671 299.5306 12.0842 41.6074 557236.9787 -7.7776 -7.7775 PRESSURE: 445000 74.0803 45.7951 -56.7612 45.7958 55.1142 82.0495 -56.7618 82.0484 25.9675 GPRESSURE: 445000 71.0111 24.6826 -168.881 32.5524 150.127 140.235 -28.1848 79.0411 28.3643 PRESSAVG: 445000 18.0266 10.6949 18.7872 10.6949 38.2323 32.9194 18.7871 32.9194 -23.6228 GPRESSAVG: 445000 17.3412 10.0311 17.4429 12.4381 38.3504 32.1442 18.7069 33.1377 -22.8645 TIMING: 445000 CPU: 1292.75, 0.00287762/step Wall: 1292.75, 0.00287762/step, 3.64099 hours remaining, 206.234375 MB of memory in use. ENERGY: 445000 764.4514 2108.3986 1944.3521 100.5609 -206527.0176 18010.5525 0.0000 0.0000 34255.8133 -149342.8887 299.1645 -183598.7020 -149246.0254 298.9949 51.7207 83.1675 557017.8680 10.8787 10.9424 PRESSURE: 445200 57.8044 89.9238 -125.048 89.9228 -127.105 -102.908 -125.048 -102.908 54.7459 GPRESSURE: 445200 175.735 104.212 -163.317 32.5285 -169.856 -121.795 -153.925 -85.0305 82.6286 PRESSAVG: 445200 -63.1077 4.57354 27.2303 4.57352 62.536 -29.6218 27.2303 -29.6216 -3.10505 GPRESSAVG: 445200 -63.8039 4.68311 30.7023 5.05776 63.3891 -28.8477 27.1339 -29.7221 -2.89197 TIMING: 445200 CPU: 1293.33, 0.00289126/step Wall: 1293.33, 0.00289126/step, 3.65808 hours remaining, 206.234375 MB of memory in use. ENERGY: 445200 802.3822 2045.2025 1976.2478 111.6043 -206422.8364 18121.0191 0.0000 0.0000 34267.9720 -149098.4085 299.2707 -183366.3805 -149004.7203 299.4148 -4.8516 29.5026 557612.9618 -1.2256 -1.1023 PRESSURE: 445400 -11.7656 -3.3393 106.677 -3.33937 -81.8952 131.411 106.677 131.41 166.962 GPRESSURE: 445400 -40.8139 49.485 77.9344 -33.4957 -23.9694 86.993 124.88 83.2781 214.011 PRESSAVG: 445400 13.2671 -13.099 -7.15358 -13.0991 18.2855 12.9087 -7.15363 12.9086 -6.46593 GPRESSAVG: 445400 14.6162 -12.429 -10.2692 -13.3423 18.7737 13.536 -6.90826 11.3671 -8.67349 TIMING: 445400 CPU: 1293.9, 0.00287048/step Wall: 1293.9, 0.00287048/step, 3.63164 hours remaining, 206.234375 MB of memory in use. ENERGY: 445400 767.6263 2159.7647 1958.0591 116.2582 -206443.0072 17919.1808 0.0000 0.0000 34401.2808 -149120.8373 300.4349 -183522.1181 -149023.9492 299.8667 24.4336 49.7425 555891.9830 8.3622 8.2388 PRESSURE: 445600 -187.409 49.5813 66.2897 49.5795 -361.191 -54.1965 66.2903 -54.1977 -214.038 GPRESSURE: 445600 -127.409 165.507 135.726 -83.587 -359.529 8.5319 16.1579 -92.1902 -184.723 PRESSAVG: 445600 62.0538 14.4112 31.3172 14.4113 -50.9204 -13.1947 31.3172 -13.1947 0.512387 GPRESSAVG: 445600 61.4189 14.2406 34.5026 12.3512 -52.0208 -14.1801 30.2246 -13.5313 2.42239 TIMING: 445600 CPU: 1294.47, 0.00285848/step Wall: 1294.47, 0.00285848/step, 3.61629 hours remaining, 206.234375 MB of memory in use. ENERGY: 445600 736.9402 2100.4176 2004.5016 145.2991 -205802.2773 17362.8208 0.0000 0.0000 34318.3762 -149133.9218 299.7109 -183452.2980 -149030.8494 299.5762 -254.2125 -223.8871 557538.6342 3.8819 3.9402 PRESSURE: 445800 129.229 125.967 162.532 125.966 87.3279 50.737 162.532 50.7383 124.282 GPRESSURE: 445800 197.968 96.6751 82.0633 32.2513 101.316 69.2094 131.685 52.5985 141.482 PRESSAVG: 445800 62.9781 14.6652 25.1369 14.6652 -31.6307 35.1828 25.1371 35.1827 -47.5967 GPRESSAVG: 445800 63.6261 15.3734 21.793 15.7058 -32.1879 34.9809 29.8468 36.7979 -47.6524 TIMING: 445800 CPU: 1295.05, 0.00287755/step Wall: 1295.05, 0.00287755/step, 3.64026 hours remaining, 206.292969 MB of memory in use. ENERGY: 445800 742.2468 2098.2817 1965.8987 119.5789 -206488.7513 18053.3199 0.0000 0.0000 34183.3767 -149326.0486 298.5319 -183509.4253 -149228.2698 299.0496 113.6130 146.9220 557986.9488 -5.4164 -5.4047 PRESSURE: 446000 38.7494 -5.73589 41.0627 -5.73692 -224.562 -134.813 41.063 -134.814 26.8531 GPRESSURE: 446000 37.4906 37.5942 130.738 -105.918 -135.598 -105.053 -23.5228 -181.479 38.4734 PRESSAVG: 446000 18.6521 24.2908 38.4598 24.2908 -81.4962 -3.59983 38.4598 -3.59995 65.1766 GPRESSAVG: 446000 18.3704 24.6944 39.0624 24.7983 -80.0635 -4.18145 35.4735 -1.98869 64.0918 TIMING: 446000 CPU: 1295.62, 0.0028796/step Wall: 1295.62, 0.0028796/step, 3.64269 hours remaining, 206.292969 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: 446000 792.1064 2086.2789 1995.4157 126.1527 -206260.5454 17820.3489 0.0000 0.0000 34184.0623 -149256.1804 298.5379 -183440.2428 -149168.2207 298.7828 -52.9864 -19.8781 557018.8340 0.7775 0.7995 PRESSURE: 446200 154.608 88.6722 -31.3847 88.6728 125.512 9.99319 -31.3862 9.99327 140.993 GPRESSURE: 446200 168.453 64.8048 -7.75647 53.8633 178.46 43.471 40.9663 48.7539 163.472 PRESSAVG: 446200 -42.9691 -37.2789 -2.05878 -37.2789 -13.7097 0.8071 -2.0588 0.80718 44.5461 GPRESSAVG: 446200 -41.9128 -37.6836 -2.4793 -38.8266 -14.7497 1.83686 0.194619 0.39461 44.4597 TIMING: 446200 CPU: 1296.21, 0.00291869/step Wall: 1296.21, 0.00291869/step, 3.69198 hours remaining, 206.292969 MB of memory in use. ENERGY: 446200 751.5691 2085.1345 1983.0436 126.9884 -206406.6102 17960.4584 0.0000 0.0000 34332.6270 -149166.7893 299.8354 -183499.4163 -149081.9066 299.0548 140.3711 170.1285 556188.2178 -4.0442 -4.0676 PRESSURE: 446400 -238.369 -72.864 -125.795 -72.8642 -265.164 -14.9077 -125.794 -14.9082 -72.18 GPRESSURE: 446400 -199.06 -40.0093 -116.573 6.44678 -251.503 47.2127 -51.0591 -107.516 -36.5023 PRESSAVG: 446400 -97.0415 -2.32078 6.98468 -2.32075 47.3129 -18.5602 6.98476 -18.5602 31.1819 GPRESSAVG: 446400 -98.4015 -2.71059 6.08426 -0.240411 48.3746 -20.4669 7.29121 -21.1346 31.8316 TIMING: 446400 CPU: 1296.79, 0.00289123/step Wall: 1296.79, 0.00289123/step, 3.65708 hours remaining, 206.292969 MB of memory in use. ENERGY: 446400 721.1314 2181.6312 1983.1356 115.2226 -205778.3606 17458.8764 0.0000 0.0000 34258.7978 -149059.5655 299.1906 -183318.3632 -148966.7343 299.3869 -191.9045 -162.3553 558162.4742 -6.1822 -6.0651 PRESSURE: 446600 -100.256 119.085 -198.619 119.085 5.07117 71.0789 -198.619 71.0776 -97.5843 GPRESSURE: 446600 -73.091 130.723 -133.533 126.216 66.1238 106.673 -226.265 53.516 -91.5711 PRESSAVG: 446600 -61.3788 46.2642 -27.8297 46.2641 -4.46615 41.6907 -27.8298 41.6907 30.8282 GPRESSAVG: 446600 -61.2419 46.1203 -26.3128 45.498 -5.32597 42.5385 -29.9017 42.8952 31.8008 TIMING: 446600 CPU: 1297.36, 0.00289322/step Wall: 1297.36, 0.00289322/step, 3.65944 hours remaining, 206.292969 MB of memory in use. ENERGY: 446600 737.0940 2120.3479 1960.3868 119.7827 -205965.1069 17792.7506 0.0000 0.0000 34161.7067 -149073.0382 298.3427 -183234.7450 -148979.9983 299.4588 -64.2565 -32.8461 559134.2091 -11.6723 -11.5890 PRESSURE: 446800 -2.34638 -33.5559 90.8348 -33.5557 59.7562 74.6086 90.8363 74.6086 209.848 GPRESSURE: 446800 2.05915 -137.921 85.7246 79.242 146.523 29.5623 82.5965 64.5229 206.303 PRESSAVG: 446800 -26.8855 3.24604 -25.7495 3.2461 66.3854 6.99228 -25.7494 6.99234 5.66535 GPRESSAVG: 446800 -26.8077 2.06081 -23.8391 3.20888 66.4134 7.04684 -26.9016 6.46189 5.69356 TIMING: 446800 CPU: 1297.94, 0.00289507/step Wall: 1297.94, 0.00289507/step, 3.66163 hours remaining, 206.292969 MB of memory in use. ENERGY: 446800 774.5877 2037.5420 1956.8535 112.3194 -206245.7801 17991.2349 0.0000 0.0000 34241.2938 -149131.9488 299.0377 -183373.2426 -149034.9229 299.5924 89.0860 118.2953 556536.2773 15.0551 15.0997 PRESSURE: 447000 36.0659 -221.141 12.1146 -221.141 35.3802 -65.888 12.1143 -65.8871 -56.9539 GPRESSURE: 447000 -23.5173 -182.119 -27.8421 -110.491 125.93 -77.5371 -21.001 20.2818 1.47801 PRESSAVG: 447000 17.3765 -19.4103 7.10135 -19.4103 -20.7415 -10.1148 7.10146 -10.1146 -9.56631 GPRESSAVG: 447000 16.951 -18.0787 6.76896 -18.0902 -19.546 -11.0446 9.51321 -9.24439 -10.3141 TIMING: 447000 CPU: 1298.52, 0.0028963/step Wall: 1298.52, 0.0028963/step, 3.66302 hours remaining, 206.515625 MB of memory in use. ENERGY: 447000 756.6513 2152.5794 1956.6887 115.3078 -206025.2960 17697.3651 0.0000 0.0000 34179.9279 -149166.7758 298.5018 -183346.7036 -149072.0944 299.2689 4.8307 34.6301 557953.1606 -4.3105 -4.3030 PRESSURE: 447200 -207.724 -31.9863 2.12887 -31.9853 -241.195 -3.15573 2.12833 -3.15654 -294.102 GPRESSURE: 447200 -233.514 -82.7338 9.75452 38.6511 -182.401 19.6852 37.7409 5.08556 -244.478 PRESSAVG: 447200 -9.51392 35.6549 -27.1825 35.6548 27.6291 -10.5868 -27.1825 -10.5869 -22.5692 GPRESSAVG: 447200 -9.54044 35.6671 -28.2075 34.6213 26.4571 -9.73433 -28.3428 -9.83754 -21.3344 TIMING: 447200 CPU: 1299.1, 0.00288479/step Wall: 1299.1, 0.00288479/step, 3.64829 hours remaining, 206.515625 MB of memory in use. ENERGY: 447200 713.0726 2103.2221 1955.5731 126.5536 -205478.4923 17238.5505 0.0000 0.0000 34389.2119 -148952.3084 300.3295 -183341.5203 -148861.7430 300.2044 -247.6737 -220.1309 558051.2035 -1.4847 -1.4726 PRESSURE: 447400 45.7135 141.277 185.444 141.278 87.0374 -132.252 185.441 -132.253 -106.811 GPRESSURE: 447400 81.6108 152.219 193.049 106.358 134.172 -66.7289 130.719 -144.257 -90.1117 PRESSAVG: 447400 -0.420085 -4.33511 31.9245 -4.33513 47.2002 -1.60946 31.9244 -1.6094 -23.0993 GPRESSAVG: 447400 -0.375445 -5.43263 30.4045 -3.77874 47.77 0.821059 32.2696 -3.49713 -23.4943 TIMING: 447400 CPU: 1299.67, 0.00287401/step Wall: 1299.67, 0.00287401/step, 3.63451 hours remaining, 206.515625 MB of memory in use. ENERGY: 447400 755.7446 2126.2204 1984.4882 126.8675 -206320.4148 17900.8084 0.0000 0.0000 34230.3909 -149195.8948 298.9425 -183426.2857 -149098.7842 299.8690 8.6466 41.8905 557266.0118 7.8936 7.9668 PRESSURE: 447600 12.8596 -50.7845 76.4543 -50.7829 -163.765 -23.2902 76.454 -23.2889 -134.752 GPRESSURE: 447600 27.6491 -54.5259 14.9659 -92.2182 -115.762 -81.329 75.3334 -10.3198 -96.5122 PRESSAVG: 447600 66.0464 36.9578 -45.5715 36.9578 -22.4951 5.60109 -45.5715 5.60117 -69.97 GPRESSAVG: 447600 65.8297 37.7895 -44.9088 34.9608 -22.6245 2.49496 -44.8899 5.75826 -69.8304 TIMING: 447600 CPU: 1300.25, 0.00287513/step Wall: 1300.25, 0.00287513/step, 3.63577 hours remaining, 206.515625 MB of memory in use. ENERGY: 447600 727.9504 2086.0806 1974.3540 112.0914 -206801.5816 17992.2323 0.0000 0.0000 34487.0390 -149421.8339 301.1839 -183908.8729 -149318.5205 299.0438 -95.2193 -61.5419 557704.3433 -8.8062 -8.8751 PRESSURE: 447800 -186.305 -18.8593 -48.6953 -18.8586 -148.235 154.034 -48.6965 154.035 -413.578 GPRESSURE: 447800 -177.641 4.56571 -32.3434 15.9018 -108.648 155.769 11.0504 61.8991 -359.563 PRESSAVG: 447800 20.5362 24.619 -33.3607 24.619 35.9346 47.4781 -33.3607 47.4782 5.94761 GPRESSAVG: 447800 21.687 23.8059 -34.2286 25.2863 34.4117 46.6127 -32.7287 46.3582 6.23411 TIMING: 447800 CPU: 1300.83, 0.00289965/step Wall: 1300.83, 0.00289965/step, 3.66661 hours remaining, 206.515625 MB of memory in use. ENERGY: 447800 757.3437 2050.9708 1976.4134 116.0114 -205950.0798 17709.6328 0.0000 0.0000 34151.1410 -149188.5666 298.2504 -183339.7076 -149086.0714 298.5035 -249.3725 -215.2841 561193.5294 20.8061 20.7776 PRESSURE: 448000 -115.562 -113.947 16.3653 -113.947 33.7795 -23.637 16.3658 -23.6393 41.9349 GPRESSURE: 448000 -149.401 -186.091 -81.8314 -154.684 81.6195 -3.98023 97.7331 -58.975 111.176 PRESSAVG: 448000 45.5592 -28.3403 -14.5255 -28.3404 -66.2009 -13.2511 -14.5255 -13.251 9.19254 GPRESSAVG: 448000 44.6109 -29.4042 -14.499 -28.5761 -65.0309 -11.9726 -15.9734 -12.5288 8.63791 TIMING: 448000 CPU: 1301.41, 0.00288287/step Wall: 1301.41, 0.00288287/step, 3.64523 hours remaining, 206.515625 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: 448000 756.5241 2055.3044 1952.6467 104.5190 -206087.0271 17816.0417 0.0000 0.0000 34224.3827 -149177.6084 298.8900 -183401.9912 -149081.5253 298.7598 -13.2827 14.4648 558996.1801 -3.8164 -3.9274 PRESSURE: 448200 -97.3512 -79.7997 113.413 -79.7992 91.4989 -13.6946 113.414 -13.6934 124.413 GPRESSURE: 448200 -85.5384 -123.2 74.0381 -106.14 121.902 -43.3335 162.836 -2.20561 176.15 PRESSAVG: 448200 13.3175 -69.9881 -62.2314 -69.9881 -20.9496 32.2624 -62.2315 32.2625 -44.4178 GPRESSAVG: 448200 14.1049 -67.7528 -62.5388 -69.6135 -21.887 32.5883 -60.1604 34.4433 -43.7914 TIMING: 448200 CPU: 1301.98, 0.00288311/step Wall: 1301.98, 0.00288311/step, 3.64537 hours remaining, 206.515625 MB of memory in use. ENERGY: 448200 743.3289 2066.3092 1982.4413 139.4661 -205958.3648 17837.1568 0.0000 0.0000 34112.9043 -149076.7582 297.9165 -183189.6625 -148977.0146 298.8426 39.5204 70.8381 557968.2227 -17.3500 -17.1912 LDB: ============= START OF LOAD BALANCING ============== 1305.45 LDB: ============== END OF LOAD BALANCING =============== 1305.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1305.45 LDB: ============= START OF LOAD BALANCING ============== 1305.74 LDB: Largest compute 4820 load 0.028159 is 23.9% of average load 0.117610 LDB: Average compute 0.001732 is 1.5% of average load 0.117610 LDB: TIME 1305.74 LOAD: AVG 0.11761 MAX 0.175192 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.559 MB LDB: TIME 1305.74 LOAD: AVG 0.11761 MAX 0.175192 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.633 MB LDB: TIME 1305.74 LOAD: AVG 0.11761 MAX 0.175192 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.633 MB LDB: ============== END OF LOAD BALANCING =============== 1305.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1305.75 PRESSURE: 448400 -343.74 -9.80095 -77.9548 -9.8 161.883 -30.1407 -77.9554 -30.1393 72.3103 GPRESSURE: 448400 -264.316 17.9074 8.93193 0.209801 186.55 -28.1377 -112.494 -79.5836 68.4449 PRESSAVG: 448400 -6.67301 12.0149 -21.7575 12.0149 33.9699 13.8836 -21.7575 13.8837 42.0202 GPRESSAVG: 448400 -6.09972 11.4485 -21.5957 10.9995 34.4561 13.6335 -23.2873 12.9228 40.9747 TIMING: 448400 CPU: 1302.57, 0.00295964/step Wall: 1302.57, 0.00295964/step, 3.74198 hours remaining, 204.617188 MB of memory in use. ENERGY: 448400 740.0088 2068.6926 1975.5024 123.8202 -205756.7342 17566.1552 0.0000 0.0000 34204.1527 -149078.4022 298.7134 -183282.5549 -148975.2253 299.8524 -36.5156 -3.1072 556299.5237 23.1057 23.1104 PRESSURE: 448600 -156.062 -157.677 19.5462 -157.676 31.0891 -84.0511 19.5462 -84.0507 -19.0687 GPRESSURE: 448600 -94.6319 -193.298 5.12991 -126.037 19.6792 -66.7976 59.2176 -72.9683 41.6446 PRESSAVG: 448600 -10.5419 41.7154 -9.11335 41.7154 0.118732 -38.5132 -9.11344 -38.5132 -58.1962 GPRESSAVG: 448600 -10.3967 40.9154 -6.59156 42.2072 0.13505 -36.0724 -8.88302 -39.0021 -58.6923 TIMING: 448600 CPU: 1303.15, 0.0028763/step Wall: 1303.15, 0.0028763/step, 3.63644 hours remaining, 204.687500 MB of memory in use. ENERGY: 448600 694.7182 2137.3403 1959.8408 117.3173 -206096.9984 17680.0256 0.0000 0.0000 34275.8742 -149231.8822 299.3397 -183507.7564 -149142.1070 299.6790 -48.0139 -11.1027 557109.6793 -22.8731 -22.9847 PRESSURE: 448800 122.078 -143.541 -72.881 -143.54 183.274 -105.581 -72.8811 -105.58 54.7979 GPRESSURE: 448800 203.768 -176.541 -158.722 -125.568 201.833 -162.101 -100.578 0.400972 34.9062 PRESSAVG: 448800 22.8378 -21.3518 21.5377 -21.3519 23.3961 -16.0088 21.5377 -16.0088 -38.4611 GPRESSAVG: 448800 22.9786 -20.7881 18.5164 -20.572 22.1464 -17.4356 21.8977 -15.0496 -38.1023 TIMING: 448800 CPU: 1303.72, 0.00287358/step Wall: 1303.72, 0.00287358/step, 3.63284 hours remaining, 204.687500 MB of memory in use. ENERGY: 448800 755.2468 2040.7338 1966.8519 112.4082 -206360.9591 17951.5698 0.0000 0.0000 34365.6720 -149168.4765 300.1240 -183534.1486 -149070.4966 299.6211 120.0500 146.8357 557145.9821 2.5910 2.3409 PRESSURE: 449000 7.80886 132.494 -74.1693 132.494 24.7906 -77.5233 -74.1696 -77.5233 19.2163 GPRESSURE: 449000 5.5375 226.185 -54.5499 64.0009 84.2663 -260.275 -38.9385 34.4579 54.3735 PRESSAVG: 449000 42.1326 -7.10284 -26.7542 -7.10287 -23.9946 -46.347 -26.7543 -46.3469 -8.60614 GPRESSAVG: 449000 40.6591 -5.41897 -25.2974 -8.78535 -21.9702 -47.5899 -27.1047 -46.659 -8.98038 TIMING: 449000 CPU: 1304.3, 0.00289277/step Wall: 1304.3, 0.00289277/step, 3.65694 hours remaining, 204.890625 MB of memory in use. ENERGY: 449000 707.5945 2128.2799 1965.6239 94.5138 -206289.9800 17846.3113 0.0000 0.0000 34297.1945 -149250.4620 299.5259 -183547.6565 -149159.1305 299.5261 17.2719 48.0591 557075.6499 3.1773 3.2362 PRESSURE: 449200 -99.9342 8.48039 -48.5193 8.4815 -69.5732 -7.61953 -48.5207 -7.61989 -71.695 GPRESSURE: 449200 -18.352 73.5602 -55.1045 15.2255 -65.2884 -105.573 -71.3734 24.8186 -74.9126 PRESSAVG: 449200 9.71702 23.7031 9.20121 23.7032 -109.053 14.5036 9.20119 14.5036 68.0378 GPRESSAVG: 449200 10.2857 23.0179 9.10145 23.3184 -109.145 14.5314 10.826 16.7749 67.4624 TIMING: 449200 CPU: 1304.88, 0.00288006/step Wall: 1304.88, 0.00288006/step, 3.64071 hours remaining, 204.890625 MB of memory in use. ENERGY: 449200 748.4305 2099.0685 1975.3339 124.6894 -206144.7383 17890.1963 0.0000 0.0000 34274.6695 -149032.3501 299.3292 -183307.0197 -148944.3674 298.9220 -80.4008 -52.8510 558152.0277 -10.4327 -10.4656 PRESSURE: 449400 83.6135 133.078 91.1371 133.079 255.356 -3.39918 91.1371 -3.39766 99.5409 GPRESSURE: 449400 117.855 40.5447 119.604 170.576 265.704 43.9686 -20.2857 -34.6519 148.567 PRESSAVG: 449400 28.9376 -27.7194 37.7642 -27.7194 46.3641 1.00397 37.7643 1.00417 -61.0619 GPRESSAVG: 449400 28.9735 -28.4002 37.3462 -26.6973 45.5812 3.73901 35.3862 -2.25972 -60.3197 TIMING: 449400 CPU: 1305.45, 0.0028689/step Wall: 1305.45, 0.0028689/step, 3.62645 hours remaining, 204.890625 MB of memory in use. ENERGY: 449400 707.5789 2118.9918 1992.9670 114.8159 -206324.7466 17922.3477 0.0000 0.0000 34298.0124 -149170.0329 299.5331 -183468.0453 -149077.4274 298.9778 146.1700 177.3753 557699.8276 4.7466 4.7450 PRESSURE: 449600 114.645 7.32234 101.539 7.32312 260.502 -4.07632 101.538 -4.07529 284.856 GPRESSURE: 449600 210.015 -115.749 72.0041 88.7403 293.007 12.2243 93.5199 -1.45648 245.711 PRESSAVG: 449600 45.5115 34.8014 77.3996 34.8015 20.2786 5.76483 77.3997 5.76479 -30.5728 GPRESSAVG: 449600 46.2938 34.9691 78.6507 35.3415 20.9819 4.04221 77.1624 7.07965 -31.5994 TIMING: 449600 CPU: 1306.03, 0.00288644/step Wall: 1306.03, 0.00288644/step, 3.64846 hours remaining, 204.890625 MB of memory in use. ENERGY: 449600 703.5176 2040.0942 1980.7342 114.3257 -206655.2840 18195.2634 0.0000 0.0000 34312.8326 -149308.5164 299.6625 -183621.3489 -149208.4722 298.9622 220.0010 249.5777 558438.4401 11.7391 11.8921 PRESSURE: 449800 -6.81307 153.508 -26.1684 153.509 -354.554 20.076 -26.1685 20.0749 123.172 GPRESSURE: 449800 -5.93572 159.441 37.0099 138.709 -296.539 93.5804 -53.0053 -8.23152 166.908 PRESSAVG: 449800 3.96571 -2.45255 4.11237 -2.45241 -73.712 -12.1761 4.11237 -12.176 47.9674 GPRESSAVG: 449800 3.45938 -3.20041 1.60309 -3.22364 -73.4195 -12.5616 2.73947 -11.9146 48.2356 TIMING: 449800 CPU: 1306.61, 0.00290717/step Wall: 1306.61, 0.00290717/step, 3.6745 hours remaining, 204.890625 MB of memory in use. ENERGY: 449800 724.2426 2063.7928 1981.3671 133.0032 -206164.1753 17773.8724 0.0000 0.0000 34130.7086 -149357.1887 298.0720 -183487.8972 -149262.3287 299.0068 -79.3982 -45.1888 556888.6916 -7.2596 -7.2415 PRESSURE: 450000 152.264 171.589 -71.0234 171.59 139.344 -7.43679 -71.0235 -7.43657 118.353 GPRESSURE: 450000 135.978 171.202 -81.8458 178.194 207.765 17.9168 10.0652 -8.63342 163.761 PRESSAVG: 450000 3.22889 38.5382 10.4584 38.5381 -0.679003 -65.0311 10.4584 -65.0311 -20.5979 GPRESSAVG: 450000 2.59372 36.1243 10.7611 38.8976 -0.309406 -62.28 12.2666 -65.692 -20.1473 TIMING: 450000 CPU: 1307.19, 0.00290236/step Wall: 1307.19, 0.00290236/step, 3.66826 hours remaining, 204.890625 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: 450000 746.4769 2049.9080 1954.3762 135.9878 -206499.5261 18076.1942 0.0000 0.0000 34331.5913 -149204.9917 299.8263 -183536.5830 -149110.4460 298.5255 136.6537 169.1678 557312.1260 -6.0160 -5.9543 PRESSURE: 450200 12.9145 -27.3514 188.632 -27.3517 -413.088 77.1308 188.632 77.1336 116.446 GPRESSURE: 450200 72.1506 -86.9623 115.653 72.8845 -294.952 -3.20212 264.776 151.277 43.3744 PRESSAVG: 450200 -7.03272 -20.6724 71.8528 -20.6724 8.07085 -13.9607 71.8529 -13.9605 -40.728 GPRESSAVG: 450200 -5.46274 -18.0184 74.7225 -22.2798 6.1426 -14.8032 70.8066 -13.564 -40.0528 TIMING: 450200 CPU: 1307.77, 0.00290685/step Wall: 1307.77, 0.00290685/step, 3.67378 hours remaining, 204.890625 MB of memory in use. ENERGY: 450200 778.7774 2110.8459 1962.1371 126.4897 -206053.5769 17735.1146 0.0000 0.0000 34391.2637 -148948.9485 300.3475 -183340.2121 -148861.1181 299.8101 -94.5758 -59.8091 558116.0365 -13.2300 -13.1243 PRESSURE: 450400 -145.512 -76.581 -87.731 -76.5811 -375.412 -161.546 -87.7311 -161.548 -120.907 GPRESSURE: 450400 -104.826 -85.5163 -64.7678 -35.5067 -326.147 -185.255 -31.7605 -196.218 -97.5336 PRESSAVG: 450400 -23.0107 16.4148 76.4305 16.4148 -36.2916 -23.1269 76.4306 -23.1269 44.0279 GPRESSAVG: 450400 -23.903 15.9488 75.6202 17.5674 -35.2386 -24.2771 76.8308 -23.0761 43.5375 TIMING: 450400 CPU: 1308.35, 0.00290623/step Wall: 1308.35, 0.00290623/step, 3.67283 hours remaining, 204.890625 MB of memory in use. ENERGY: 450400 775.6210 2141.7406 1962.7210 121.9076 -205661.1101 17538.8730 0.0000 0.0000 34206.0256 -148914.2213 298.7297 -183120.2469 -148818.4128 299.3120 -213.9435 -176.1689 558986.1123 -5.0915 -5.2013 PRESSURE: 450600 41.4759 67.7486 -16.9265 67.7493 -51.3699 0.256848 -16.9269 0.257148 41.199 GPRESSURE: 450600 95.356 42.3429 20.5711 14.3389 -44.2315 -56.9809 -75.0011 3.99488 79.3841 PRESSAVG: 450600 -8.63567 -27.7432 9.38277 -27.7432 24.8382 -47.4625 9.3827 -47.4625 -4.4235 GPRESSAVG: 450600 -8.36705 -29.1663 9.9053 -26.8348 24.4298 -47.1571 9.81733 -47.0657 -4.57183 TIMING: 450600 CPU: 1308.94, 0.00290724/step Wall: 1308.94, 0.00290724/step, 3.67394 hours remaining, 204.890625 MB of memory in use. ENERGY: 450600 773.8062 2172.8324 1983.3794 116.7392 -205839.3727 17668.5775 0.0000 0.0000 34216.6358 -148907.4022 298.8224 -183124.0381 -148817.1105 299.3388 10.4350 43.5028 559563.6739 3.9263 3.8303 PRESSURE: 450800 -120.509 -163.144 70.4346 -163.145 72.7477 -57.4888 70.4339 -57.4879 55.5098 GPRESSURE: 450800 -117.284 -127.44 11.222 -193.847 100.923 -72.2077 193.726 -155.077 120.911 PRESSAVG: 450800 -37.2556 -60.7243 -26.9165 -60.7242 -6.82622 -28.6435 -26.9165 -28.6435 37.3773 GPRESSAVG: 450800 -37.7346 -59.2892 -27.5832 -59.8742 -6.38013 -27.9298 -27.1188 -29.0659 37.1108 TIMING: 450800 CPU: 1309.51, 0.00288849/step Wall: 1309.51, 0.00288849/step, 3.65009 hours remaining, 204.890625 MB of memory in use. ENERGY: 450800 750.3990 2098.9597 1976.7251 116.1372 -205989.7258 17773.4063 0.0000 0.0000 34297.0962 -148977.0023 299.5251 -183274.0985 -148879.3147 299.7768 2.5828 34.8501 559684.3166 -2.2348 -2.3346 PRESSURE: 451000 -338.391 113.034 -57.4461 113.035 -226.283 84.9822 -57.4473 84.9811 -249.784 GPRESSURE: 451000 -322.554 105.873 -37.4703 89.6339 -143.575 107.704 -45.6668 123.057 -257.429 PRESSAVG: 451000 -42.8488 -13.6759 47.4814 -13.6759 -3.39819 38.016 47.4813 38.0159 62.5793 GPRESSAVG: 451000 -43.7954 -13.2225 49.889 -15.4853 -3.889 38.0652 46.9941 38.6704 64.071 TIMING: 451000 CPU: 1310.1, 0.00290816/step Wall: 1310.1, 0.00290816/step, 3.67478 hours remaining, 204.890625 MB of memory in use. ENERGY: 451000 801.7605 2091.4804 1984.0204 109.8122 -205334.4429 17439.6866 0.0000 0.0000 34047.3674 -148860.3154 297.3441 -182907.6828 -148766.7972 299.9500 -271.4859 -241.1857 559857.5148 5.4441 5.4622 PRESSURE: 451200 -15.3275 -49.6254 206.701 -49.6252 24.4248 72.6599 206.7 72.6598 -57.3136 GPRESSURE: 451200 74.9301 47.8481 143.999 -27.4376 27.3401 102.368 128.914 47.1011 -60.0194 PRESSAVG: 451200 -55.3574 -13.9897 46.198 -13.9898 69.1556 -69.5264 46.198 -69.5264 53.2528 GPRESSAVG: 451200 -53.624 -14.953 45.979 -14.2133 68.1423 -70.8266 45.7318 -71.8411 52.3053 TIMING: 451200 CPU: 1310.67, 0.00289002/step Wall: 1310.67, 0.00289002/step, 3.6517 hours remaining, 204.890625 MB of memory in use. ENERGY: 451200 731.3884 2081.2747 2015.6295 113.8464 -205726.4843 17791.7927 0.0000 0.0000 34134.2807 -148858.2720 298.1032 -182992.5526 -148762.9510 299.5349 -16.0721 14.0836 560369.7029 22.3503 22.2746 PRESSURE: 451400 -19.7947 97.0717 -75.7906 97.0727 167.837 68.81 -75.7895 68.8105 176.734 GPRESSURE: 451400 9.46918 107.052 -60.6097 115.32 190.711 61.0517 -48.7304 74.2876 227.069 PRESSAVG: 451400 -31.8345 -16.8733 43.928 -16.8734 -27.5205 -13.3638 43.928 -13.3637 57.7745 GPRESSAVG: 451400 -32.8651 -14.657 44.086 -16.3405 -26.2021 -11.3342 45.4379 -13.1433 57.9676 TIMING: 451400 CPU: 1311.25, 0.00287668/step Wall: 1311.25, 0.00287668/step, 3.63469 hours remaining, 204.890625 MB of memory in use. ENERGY: 451400 723.5844 2081.6363 1963.5773 105.8745 -205869.7253 17838.3082 0.0000 0.0000 34346.5934 -148810.1513 299.9573 -183156.7446 -148711.9085 299.3746 108.2590 142.4166 559419.7126 -0.5269 -0.3665 PRESSURE: 451600 -25.3492 -40.0333 -31.0587 -40.0325 82.4552 -36.2733 -31.0586 -36.2731 -331.642 GPRESSURE: 451600 -7.85838 -30.6181 -47.6526 -88.709 123.019 -38.5434 -121.457 -0.0848083 -295.073 PRESSAVG: 451600 70.6044 9.68509 20.9209 9.68514 31.3757 16.4436 20.921 16.4436 -35.0404 GPRESSAVG: 451600 70.9455 7.79328 20.5223 9.67081 30.6611 16.6179 20.3078 17.6501 -35.1812 TIMING: 451600 CPU: 1311.83, 0.0028985/step Wall: 1311.83, 0.0028985/step, 3.66209 hours remaining, 204.890625 MB of memory in use. ENERGY: 451600 753.5554 2118.7130 1952.3581 109.8884 -205726.3469 17637.0151 0.0000 0.0000 34156.6115 -148998.2054 298.2982 -183154.8169 -148897.4068 299.7305 -91.5120 -59.9711 558725.9653 22.3132 22.1418 PRESSURE: 451800 -92.3181 7.28817 165.841 7.28957 -29.8823 -29.6413 165.841 -29.639 -165.314 GPRESSURE: 451800 -76.3385 -16.5585 110.408 -2.04073 22.7958 23.1377 130.661 55.9494 -130.595 PRESSAVG: 451800 -48.8526 1.84708 -35.2601 1.84713 105.815 -43.9986 -35.2601 -43.9985 -51.9519 GPRESSAVG: 451800 -49.1742 3.25716 -36.9778 1.755 105.678 -44.4285 -34.3079 -45.3988 -51.5194 TIMING: 451800 CPU: 1312.41, 0.00290856/step Wall: 1312.41, 0.00290857/step, 3.67465 hours remaining, 204.890625 MB of memory in use. ENERGY: 451800 772.5163 2084.6323 1945.0197 114.1178 -206255.6957 17883.2699 0.0000 0.0000 34455.8276 -149000.3121 300.9113 -183456.1397 -148901.4811 299.2246 -95.8380 -61.3791 558255.9858 1.6700 1.6613 PRESSURE: 452000 -77.4717 76.3621 157.84 76.3613 -214.95 -54.4681 157.841 -54.469 -236.848 GPRESSURE: 452000 -68.7013 123.899 174.158 92.1062 -161.185 -93.5736 99.836 -11.6422 -202.778 PRESSAVG: 452000 -28.5606 -1.34861 -47.732 -1.34857 36.2924 -4.28051 -47.7319 -4.2805 -49.3602 GPRESSAVG: 452000 -28.4362 -1.92094 -46.662 -0.461337 37.1107 -3.98617 -50.7157 -3.91407 -50.4134 TIMING: 452000 CPU: 1312.99, 0.00289992/step Wall: 1312.99, 0.00289992/step, 3.66356 hours remaining, 204.890625 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: 452000 760.8436 2023.8471 1982.1557 112.0844 -205793.4391 17673.9059 0.0000 0.0000 34232.7645 -149007.8380 298.9632 -183240.6025 -148905.6245 298.9754 -176.4234 -144.2215 558159.3346 -13.8761 -13.9130 PRESSURE: 452200 76.3506 96.5183 71.8979 96.5183 227.73 272.443 71.8977 272.444 76.0012 GPRESSURE: 452200 72.4097 121.737 0.461863 64.4283 241.82 230.648 26.6387 254.77 144.133 PRESSAVG: 452200 -74.0135 6.9383 -26.4306 6.93834 -8.54845 15.8039 -26.4306 15.8039 46.5762 GPRESSAVG: 452200 -73.0444 5.69566 -26.2167 8.27931 -9.77098 15.4987 -25.6824 15.8743 47.1555 TIMING: 452200 CPU: 1313.57, 0.0028836/step Wall: 1313.57, 0.0028836/step, 3.64279 hours remaining, 204.890625 MB of memory in use. ENERGY: 452200 724.1882 2118.0394 1972.9198 108.1708 -206317.9542 17867.6028 0.0000 0.0000 34576.3621 -148950.6711 301.9640 -183527.0332 -148855.5411 299.9592 126.6938 152.7878 556469.0180 -11.9952 -11.8866 LDB: ============= START OF LOAD BALANCING ============== 1317.03 LDB: ============== END OF LOAD BALANCING =============== 1317.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1317.03 LDB: ============= START OF LOAD BALANCING ============== 1317.32 LDB: Largest compute 4820 load 0.028675 is 24.4% of average load 0.117585 LDB: Average compute 0.001742 is 1.5% of average load 0.117585 LDB: TIME 1317.32 LOAD: AVG 0.117585 MAX 0.17561 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.836 MB LDB: TIME 1317.32 LOAD: AVG 0.117585 MAX 0.17561 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.879 MB LDB: TIME 1317.32 LOAD: AVG 0.117585 MAX 0.17561 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.879 MB LDB: ============== END OF LOAD BALANCING =============== 1317.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1317.33 PRESSURE: 452400 -101.405 -168.943 -146.834 -168.942 -239.029 -21.7514 -146.833 -21.7511 -213.091 GPRESSURE: 452400 -125.712 -183.353 -203.971 -49.3694 -211.524 47.1323 -173.081 -43.233 -117.158 PRESSAVG: 452400 -64.0862 40.3244 60.2256 40.3244 24.3149 -23.451 60.2255 -23.4511 15.9436 GPRESSAVG: 452400 -64.7929 41.2239 58.3868 36.7047 24.5997 -23.4679 61.2751 -22.7922 16.463 TIMING: 452400 CPU: 1314.16, 0.00294466/step Wall: 1314.16, 0.00294466/step, 3.71976 hours remaining, 202.859375 MB of memory in use. ENERGY: 452400 737.5356 2146.8450 1971.9069 107.9918 -205785.7254 17516.3227 0.0000 0.0000 34365.5347 -148939.5889 300.1228 -183305.1236 -148845.1370 299.4904 -184.5085 -151.4650 557996.3902 -7.9426 -7.9101 PRESSURE: 452600 -54.5676 82.7713 29.9735 82.7712 3.30364 -111.467 29.9727 -111.469 9.54969 GPRESSURE: 452600 -102.046 -18.4586 74.0749 108.551 71.7118 -93.0884 -15.4637 -146.028 86.4177 PRESSAVG: 452600 6.92561 -14.5119 0.0321377 -14.5118 38.6799 -17.4016 0.0322319 -17.4017 -51.8593 GPRESSAVG: 452600 5.89368 -14.7174 1.20619 -12.6919 39.5971 -18.0305 -0.654977 -17.9857 -51.6724 TIMING: 452600 CPU: 1314.74, 0.0029122/step Wall: 1314.74, 0.0029122/step, 3.6786 hours remaining, 202.882812 MB of memory in use. ENERGY: 452600 756.8880 2094.4921 1974.3950 105.8987 -205903.3907 17687.7733 0.0000 0.0000 34463.8939 -148820.0496 300.9818 -183283.9436 -148721.1625 300.6625 -13.9048 18.6945 556190.0552 -2.0846 -2.0605 PRESSURE: 452800 22.3067 318.474 53.6285 318.475 39.7273 165.826 53.6281 165.825 29.9334 GPRESSURE: 452800 43.9205 310.04 79.4285 294.988 105.117 154.552 81.4635 186.344 35.0758 PRESSAVG: 452800 -13.9251 -11.1233 -25.6296 -11.1233 93.2632 -12.6252 -25.6297 -12.6252 -52.3623 GPRESSAVG: 452800 -12.1873 -9.97446 -25.3503 -11.8035 93.3672 -13.346 -24.0626 -13.2076 -53.9436 TIMING: 452800 CPU: 1315.33, 0.00293526/step Wall: 1315.33, 0.00293526/step, 3.70756 hours remaining, 203.003906 MB of memory in use. ENERGY: 452800 766.5520 2093.1825 1988.3332 113.2101 -205763.2418 17787.3113 0.0000 0.0000 34355.7450 -148658.9077 300.0373 -183014.6527 -148565.4015 300.7240 30.6558 61.3709 556686.8370 8.9919 9.0788 PRESSURE: 453000 69.2357 -143.832 205.337 -143.833 104.29 34.9733 205.337 34.972 -77.785 GPRESSURE: 453000 162.178 -170.642 258.035 -137.071 120.554 10.2026 181.419 38.7836 -97.4849 PRESSAVG: 453000 23.3197 -55.4709 -5.68236 -55.471 69.0459 39.3533 -5.68242 39.3532 -99.2958 GPRESSAVG: 453000 24.0087 -57.2565 -3.01929 -54.197 68.2359 38.5325 -8.56852 41.9789 -98.8927 TIMING: 453000 CPU: 1315.91, 0.00291948/step Wall: 1315.91, 0.00291948/step, 3.68747 hours remaining, 203.003906 MB of memory in use. ENERGY: 453000 751.4341 2114.8849 1967.2937 107.5904 -205473.9925 17574.0356 0.0000 0.0000 34471.3827 -148487.3710 301.0472 -182958.7537 -148393.7274 300.7333 31.9136 61.7490 556622.1664 -2.3101 -2.2160 PRESSURE: 453200 14.7466 -156.869 37.9566 -156.87 -50.9214 96.8162 37.9545 96.8159 -3.5445 GPRESSURE: 453200 70.0709 -212.777 103.482 -122.932 -18.3884 104.05 -18.1648 50.605 6.29404 PRESSAVG: 453200 21.3921 -18.8861 24.5509 -18.8862 -40.8406 56.24 24.5509 56.24 -5.76835 GPRESSAVG: 453200 19.9467 -17.5647 20.7101 -19.4504 -40.7316 58.1027 26.9007 53.3675 -5.06076 TIMING: 453200 CPU: 1316.49, 0.00288553/step Wall: 1316.49, 0.00288553/step, 3.64442 hours remaining, 203.203125 MB of memory in use. ENERGY: 453200 732.8566 2064.9571 1991.9402 122.6592 -205683.4841 17685.4776 0.0000 0.0000 34398.4496 -148687.1438 300.4102 -183085.5934 -148591.6164 301.1715 -13.2398 19.3255 557264.1215 -8.4056 -8.6152 PRESSURE: 453400 218.311 -42.173 10.0678 -42.1739 -218.808 -25.7284 10.0684 -25.7287 -54.9964 GPRESSURE: 453400 246.337 -31.7549 -42.8924 -78.0851 -177.374 16.6587 -37.294 -8.11825 -41.2762 PRESSAVG: 453400 -10.9961 11.5067 -31.8788 11.5067 -15.7849 1.7975 -31.8788 1.7975 14.8425 GPRESSAVG: 453400 -10.1897 12.508 -29.308 10.4081 -15.088 1.08645 -31.8935 4.38705 14.0378 TIMING: 453400 CPU: 1317.07, 0.00289782/step Wall: 1317.07, 0.00289782/step, 3.65979 hours remaining, 203.203125 MB of memory in use. ENERGY: 453400 763.3196 2082.2926 2000.7495 105.9133 -206052.5340 17958.4547 0.0000 0.0000 34488.0181 -148653.7862 301.1924 -183141.8043 -148564.5969 299.8776 -18.4979 9.2288 558146.3234 -3.9795 -3.7467 PRESSURE: 453600 -79.6755 133.603 12.811 133.604 189.692 12.6223 12.8118 12.6207 13.4857 GPRESSURE: 453600 -67.6848 192.553 -70.4281 12.3981 232.538 67.3426 8.97743 -0.903731 69.3685 PRESSAVG: 453600 -12.5869 -34.9064 8.43554 -34.9063 -4.65703 31.1877 8.43554 31.1878 -6.16437 GPRESSAVG: 453600 -12.2335 -35.7673 6.08909 -32.4791 -4.84763 33.4153 8.77911 27.7574 -5.6354 TIMING: 453600 CPU: 1317.64, 0.00286684/step Wall: 1317.64, 0.00286684/step, 3.6205 hours remaining, 203.203125 MB of memory in use. ENERGY: 453600 780.0284 2081.7888 1955.4139 112.0370 -206204.3433 18000.0751 0.0000 0.0000 34505.9911 -148769.0092 301.3494 -183275.0003 -148664.6944 299.9912 41.1673 78.0738 557233.4913 -7.8028 -7.5722 PRESSURE: 453800 -201.738 -84.1649 133.851 -84.1648 -382.423 40.6443 133.852 40.6442 -285.174 GPRESSURE: 453800 -136.026 -138.326 104.685 -88.4064 -336.577 64.6133 145.815 54.9459 -298.2 PRESSAVG: 453800 -21.2089 -2.39136 18.3966 -2.39121 53.9182 21.1672 18.3965 21.167 -20.1502 GPRESSAVG: 453800 -21.2112 -2.14582 20.1423 -3.66097 53.0093 17.9456 19.2524 22.6845 -19.5788 TIMING: 453800 CPU: 1318.22, 0.00288386/step Wall: 1318.22, 0.00288386/step, 3.64184 hours remaining, 203.203125 MB of memory in use. ENERGY: 453800 737.7324 2057.3055 1984.8607 120.4186 -205374.1214 17301.5455 0.0000 0.0000 34509.3847 -148662.8740 301.3790 -183172.2588 -148557.1257 300.7134 -289.7783 -256.9344 559769.0360 4.1864 4.0731 PRESSURE: 454000 -201.828 84.1174 -54.128 84.1172 -193.142 112.951 -54.1273 112.951 -130.549 GPRESSURE: 454000 -203.869 85.1927 10.6668 72.4056 -152.39 197.435 -88.5334 58.4223 -74.9113 PRESSAVG: 454000 -6.62991 -8.23249 -23.6009 -8.23246 43.7927 -14.845 -23.6008 -14.845 -23.8474 GPRESSAVG: 454000 -6.57193 -9.46435 -24.5366 -7.81559 43.3165 -13.7597 -25.6288 -14.5661 -23.7663 TIMING: 454000 CPU: 1318.8, 0.00290002/step Wall: 1318.8, 0.00290002/step, 3.66208 hours remaining, 203.203125 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: 454000 773.5433 2115.1780 1959.2085 120.3551 -205324.6131 17388.4893 0.0000 0.0000 34312.3880 -148655.4510 299.6586 -182967.8389 -148554.7910 300.5705 -175.1731 -143.7232 558443.6496 4.4385 4.3261 PRESSURE: 454200 -6.35517 61.8508 76.14 61.85 -15.9839 63.1758 76.1399 63.1754 -138.827 GPRESSURE: 454200 -46.1799 -28.3351 160.438 45.6291 27.0312 112.622 -16.9649 -4.95427 -51.0362 PRESSAVG: 454200 -29.6651 1.72532 2.35867 1.72531 19.8657 -2.53083 2.35866 -2.53087 -47.8229 GPRESSAVG: 454200 -30.3949 2.30847 2.5467 2.06092 20.9439 -0.509049 4.22055 -2.18173 -48.3582 TIMING: 454200 CPU: 1319.38, 0.00290341/step Wall: 1319.38, 0.00290341/step, 3.66621 hours remaining, 203.203125 MB of memory in use. ENERGY: 454200 740.4020 2133.6513 1965.2150 114.3980 -205519.4233 17635.8040 0.0000 0.0000 34180.2785 -148749.6745 298.5049 -182929.9530 -148654.2112 300.2418 -53.7219 -23.3950 559710.8480 -19.2074 -19.2698 PRESSURE: 454400 -144.282 10.3182 -146.369 10.3184 175.676 105.967 -146.37 105.967 -249.157 GPRESSURE: 454400 -22.9784 66.2443 -115.996 53.2838 155.028 95.6004 -130.837 76.9733 -253.806 PRESSAVG: 454400 20.2258 24.9231 29.5237 24.923 57.808 20.9781 29.5237 20.9781 -61.485 GPRESSAVG: 454400 20.5026 24.6163 30.2685 25.3113 57.5319 22.3461 27.4231 18.7798 -62.0852 TIMING: 454400 CPU: 1319.95, 0.00288752/step Wall: 1319.95, 0.00288752/step, 3.64597 hours remaining, 203.203125 MB of memory in use. ENERGY: 454400 737.0673 2085.3785 1986.4732 122.4743 -205925.0604 17789.0692 0.0000 0.0000 34340.3381 -148864.2597 299.9027 -183204.5979 -148768.6471 300.5140 -72.5875 -40.5854 558771.4273 5.5163 5.3164 PRESSURE: 454600 173.379 183.164 -83.7901 183.163 -32.3318 102.549 -83.7909 102.548 84.6564 GPRESSURE: 454600 170.995 256.729 -183.429 185.272 -2.2779 116.917 -69.9875 68.507 150.915 PRESSAVG: 454600 13.6007 45.4191 32.6305 45.4191 0.868912 21.8204 32.6305 21.8204 -5.77425 GPRESSAVG: 454600 14.3374 46.3452 30.9792 45.0894 0.519747 16.8745 34.1448 25.7217 -5.6297 TIMING: 454600 CPU: 1320.53, 0.00287633/step Wall: 1320.53, 0.00287633/step, 3.63168 hours remaining, 203.203125 MB of memory in use. ENERGY: 454600 691.2594 2078.8324 1972.9173 111.7891 -205960.1022 17992.6180 0.0000 0.0000 34356.8255 -148755.8604 300.0467 -183112.6859 -148662.0794 300.1832 75.2345 106.5442 560007.3740 2.8984 3.0758 PRESSURE: 454800 -44.1877 177.776 137.695 177.776 137.653 -17.575 137.696 -17.5753 -137.232 GPRESSURE: 454800 -62.0283 212.549 106.346 137.62 142.812 28.1845 162.904 -5.92123 -25.9151 PRESSAVG: 454800 -7.31523 16.368 35.3448 16.368 17.6148 12.7554 35.3448 12.7553 -56.1472 GPRESSAVG: 454800 -8.35645 15.5541 36.227 16.4948 18.0693 13.3086 34.4664 11.2827 -55.4979 TIMING: 454800 CPU: 1321.11, 0.00289525/step Wall: 1321.11, 0.00289525/step, 3.65541 hours remaining, 203.203125 MB of memory in use. ENERGY: 454800 719.0535 2013.3894 1967.7094 124.5495 -205867.6885 17797.2517 0.0000 0.0000 34384.3474 -148861.3876 300.2871 -183245.7350 -148768.8659 301.0026 -14.5887 18.2894 559654.4120 -15.2825 -15.2617 PRESSURE: 455000 147.793 78.5453 92.947 78.5441 83.5506 119.237 92.9476 119.237 28.3937 GPRESSURE: 455000 160.009 180.444 74.6133 67.5958 129.579 81.6078 14.4313 121.607 63.6747 PRESSAVG: 455000 80.1817 30.4992 15.7867 30.4991 -42.8428 30.3799 15.7867 30.3799 -34.9502 GPRESSAVG: 455000 78.5793 29.8909 16.531 29.9953 -42.7286 32.0653 15.4415 27.5686 -34.0449 TIMING: 455000 CPU: 1321.69, 0.00289452/step Wall: 1321.69, 0.00289452/step, 3.65433 hours remaining, 203.203125 MB of memory in use. ENERGY: 455000 734.9956 2144.8544 1978.6509 112.7116 -206259.3076 18044.6601 0.0000 0.0000 34477.2618 -148766.1733 301.0985 -183243.4351 -148663.7527 301.1942 86.5790 117.7541 558282.4777 0.7962 0.6019 PRESSURE: 455200 21.341 52.1765 -116.018 52.1758 -115.924 -33.8475 -116.019 -33.8465 -151.968 GPRESSURE: 455200 16.6604 22.4562 -15.9969 95.2945 1.20898 -39.3472 -147.339 -54.6429 -167.052 PRESSAVG: 455200 -28.6742 47.1965 -47.6072 47.1965 9.92239 22.1605 -47.6072 22.1604 22.4522 GPRESSAVG: 455200 -26.6452 46.7745 -48.5683 46.9642 10.7233 20.3567 -46.178 25.37 20.3413 TIMING: 455200 CPU: 1322.26, 0.00286599/step Wall: 1322.26, 0.00286599/step, 3.61815 hours remaining, 203.203125 MB of memory in use. ENERGY: 455200 738.8961 2126.8064 1957.1590 109.9708 -205804.8950 17612.0406 0.0000 0.0000 34359.8687 -148900.1534 300.0733 -183260.0221 -148803.0029 300.3869 -82.1839 -49.7274 557536.6532 1.2334 1.4731 PRESSURE: 455400 198.306 44.086 51.044 44.0856 291.842 63.097 51.0449 63.0973 249.144 GPRESSURE: 455400 231.383 -37.2514 -44.4585 73.2311 291.789 139.874 36.2704 65.3891 303.269 PRESSAVG: 455400 53.2592 3.02116 14.1833 3.02115 -31.0807 -113.259 14.1833 -113.259 -16.3194 GPRESSAVG: 455400 52.2978 6.38898 14.4114 2.09123 -31.7891 -112.569 12.782 -114.197 -15.202 TIMING: 455400 CPU: 1322.84, 0.00288365/step Wall: 1322.84, 0.00288365/step, 3.64028 hours remaining, 203.203125 MB of memory in use. ENERGY: 455400 725.4622 2062.7000 1953.1764 127.1525 -206312.1104 18117.3363 0.0000 0.0000 34452.0756 -148874.2074 300.8785 -183326.2830 -148771.3318 300.8953 246.4306 275.4800 556917.9586 1.9530 1.7689 PRESSURE: 455600 -59.6483 74.3179 -37.9849 74.3172 88.9938 18.6225 -37.9857 18.6225 19.2015 GPRESSURE: 455600 -40.4776 148.36 -85.5673 95.3945 111.627 -8.89385 -142.983 15.6135 60.9009 PRESSAVG: 455600 16.7061 51.5345 11.9167 51.5346 -11.1867 -26.2311 11.9167 -26.2309 -6.73322 GPRESSAVG: 455600 17.1209 49.2983 12.0391 52.3336 -11.5969 -27.6627 12.4534 -23.1546 -6.68644 TIMING: 455600 CPU: 1323.42, 0.00289278/step Wall: 1323.42, 0.00289278/step, 3.65166 hours remaining, 203.203125 MB of memory in use. ENERGY: 455600 758.1750 2065.0947 1961.9803 112.1194 -205762.5018 17716.5942 0.0000 0.0000 34306.2633 -148842.2750 299.6051 -183148.5383 -148745.5553 300.7610 16.1823 44.0168 555677.0872 -0.4046 -0.3875 PRESSURE: 455800 -5.62616 54.0439 75.185 54.0443 442.405 38.4586 75.186 38.4571 16.9619 GPRESSURE: 455800 54.1782 66.8606 48.1754 66.5667 424.342 109.16 131.899 25.6297 72.8915 PRESSAVG: 455800 50.0481 26.4641 16.1319 26.464 9.42786 33.7289 16.1319 33.729 -25.5725 GPRESSAVG: 455800 49.4417 24.2586 17.5541 28.1908 9.91372 36.0017 15.9177 30.932 -25.1761 TIMING: 455800 CPU: 1324, 0.00289969/step Wall: 1324, 0.00289969/step, 3.66021 hours remaining, 203.203125 MB of memory in use. ENERGY: 455800 719.2570 2092.9420 1969.0905 115.6735 -206252.9818 18009.8507 0.0000 0.0000 34348.3561 -148997.8119 299.9727 -183346.1680 -148904.7765 299.8235 151.2471 183.8039 556820.5422 11.3012 11.3931 PRESSURE: 456000 -300.38 -54.2352 33.0257 -54.2354 -278.441 134.09 33.0268 134.091 -226.979 GPRESSURE: 456000 -275.772 -9.92199 2.54794 -84.1757 -240.624 101.713 52.9206 176.834 -193.482 PRESSAVG: 456000 27.6602 -13.2171 52.9203 -13.217 -36.8742 14.6992 52.9204 14.6992 14.7591 GPRESSAVG: 456000 27.7109 -10.4234 51.8942 -15.3333 -36.9494 15.3347 51.7941 15.2889 14.7859 TIMING: 456000 CPU: 1324.58, 0.00290731/step Wall: 1324.58, 0.00290731/step, 3.66967 hours remaining, 203.203125 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: 456000 750.3908 2158.0329 1976.7242 119.4926 -205522.6493 17435.4580 0.0000 0.0000 34067.2368 -149015.3141 297.5177 -183082.5509 -148921.9245 299.7201 -268.5999 -236.6258 559088.0265 1.8484 1.8491 PRESSURE: 456200 -11.9871 -129.425 61.8042 -129.425 99.823 135.541 61.8036 135.542 163.883 GPRESSURE: 456200 41.1149 -102.657 -10.375 -67.7656 178.686 164.987 150.742 70.6441 123.647 PRESSAVG: 456200 -32.7797 12.3211 -18.6978 12.3211 41.4098 -19.7808 -18.6978 -19.7807 -35.3332 GPRESSAVG: 456200 -32.1308 11.6935 -17.9363 14.0987 42.5171 -21.2739 -19.0662 -19.8335 -36.4395 TIMING: 456200 CPU: 1325.15, 0.00288776/step Wall: 1325.15, 0.00288776/step, 3.64484 hours remaining, 203.203125 MB of memory in use. ENERGY: 456200 743.9420 2102.8164 1956.7395 114.9435 -206220.7151 17912.8041 0.0000 0.0000 34366.0889 -149023.3806 300.1276 -183389.4695 -148933.1979 299.7240 83.9062 114.4827 557794.4984 -8.9010 -8.6844 LDB: ============= START OF LOAD BALANCING ============== 1328.62 LDB: ============== END OF LOAD BALANCING =============== 1328.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1328.62 LDB: ============= START OF LOAD BALANCING ============== 1328.91 LDB: Largest compute 4820 load 0.029425 is 25.0% of average load 0.117567 LDB: Average compute 0.001738 is 1.5% of average load 0.117567 LDB: TIME 1328.91 LOAD: AVG 0.117567 MAX 0.178544 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.105 MB LDB: TIME 1328.91 LOAD: AVG 0.117567 MAX 0.178544 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.199 MB LDB: TIME 1328.91 LOAD: AVG 0.117567 MAX 0.178544 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1328.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1328.92 PRESSURE: 456400 -18.404 5.46342 37.4461 5.46222 113.458 71.7562 37.4453 71.7568 -116.25 GPRESSURE: 456400 77.7751 11.2315 -0.447875 27.6297 117.997 103.081 -1.01922 71.6308 -122.066 PRESSAVG: 456400 26.1657 -15.6419 16.4144 -15.6419 -26.3586 27.2145 16.4143 27.2145 -6.98565 GPRESSAVG: 456400 27.5463 -14.4597 15.0689 -17.8762 -27.8425 26.662 17.6549 28.4382 -6.01582 TIMING: 456400 CPU: 1325.75, 0.00295221/step Wall: 1325.75, 0.00295221/step, 3.72602 hours remaining, 203.324219 MB of memory in use. ENERGY: 456400 782.0180 2090.9764 1935.8288 113.2664 -206278.4554 17884.0699 0.0000 0.0000 34446.3159 -149025.9799 300.8282 -183472.2958 -148930.1882 299.0499 -7.0652 24.5686 557941.5614 -2.3928 -2.1040 PRESSURE: 456600 -90.3346 14.5566 -73.8333 14.5574 121.122 -60.0962 -73.8343 -60.0972 4.2941 GPRESSURE: 456600 -14.4364 -11.567 4.74823 14.7448 147.76 -58.0585 -196.655 -6.58558 -7.9221 PRESSAVG: 456600 -68.2703 -11.9014 -6.21263 -11.9015 15.1244 -12.4733 -6.21261 -12.4734 59.4657 GPRESSAVG: 456600 -70.3442 -11.9658 -4.72167 -10.5237 16.3004 -12.5669 -7.35509 -12.4406 59.9239 TIMING: 456600 CPU: 1326.32, 0.00288822/step Wall: 1326.32, 0.00288822/step, 3.6451 hours remaining, 203.324219 MB of memory in use. ENERGY: 456600 748.0345 2074.1174 1965.5834 118.3525 -206008.8665 17792.1489 0.0000 0.0000 34234.6387 -149075.9912 298.9796 -183310.6299 -148983.7584 299.6070 11.6940 41.8005 558130.5149 2.1066 1.9600 PRESSURE: 456800 -115.035 61.9525 15.6444 61.9519 120.279 -58.8049 15.6452 -58.8057 72.199 GPRESSURE: 456800 -54.5978 76.0517 34.137 67.7379 110.738 -24.4344 30.7574 7.72331 123.039 PRESSAVG: 456800 -70.9757 10.2002 -19.9737 10.2002 38.4905 -18.7345 -19.9738 -18.7345 54.0604 GPRESSAVG: 456800 -69.806 9.49633 -20.513 11.2218 37.7511 -19.3133 -20.8106 -18.9393 53.6965 TIMING: 456800 CPU: 1326.91, 0.00291885/step Wall: 1326.91, 0.00291885/step, 3.68358 hours remaining, 203.339844 MB of memory in use. ENERGY: 456800 748.8870 2026.7814 1937.0665 113.6877 -206244.6987 17988.3076 0.0000 0.0000 34410.5899 -149019.3785 300.5162 -183429.9684 -148926.9205 300.0341 25.8143 59.7265 557626.6909 7.1917 7.2139 PRESSURE: 457000 176.031 151.06 52.2122 151.06 39.462 67.6191 52.2127 67.6187 112.64 GPRESSURE: 457000 178.001 209.203 85.6103 123.566 157.26 65.748 -6.50736 76.5565 87.7184 PRESSAVG: 457000 -36.1948 -2.95761 5.291 -2.95767 14.8337 52.8871 5.29094 52.8872 22.6699 GPRESSAVG: 457000 -36.2883 -3.33073 5.5404 -4.79353 14.8394 54.632 6.01805 51.8273 22.4448 TIMING: 457000 CPU: 1327.49, 0.00290245/step Wall: 1327.49, 0.00290245/step, 3.66274 hours remaining, 203.339844 MB of memory in use. ENERGY: 457000 754.9765 2037.6386 1940.6971 114.2796 -206202.7945 17912.8194 0.0000 0.0000 34187.5608 -149254.8225 298.5685 -183442.3833 -149156.5172 299.7611 109.3778 140.9931 556447.7982 0.4363 0.3320 PRESSURE: 457200 138.836 -99.2828 18.802 -99.2839 -73.2049 -129.775 18.8021 -129.775 132.837 GPRESSURE: 457200 165.42 -105.33 52.2089 -69.0153 -37.8402 -160.527 -37.4914 -74.7996 172.259 PRESSAVG: 457200 2.09041 -4.39554 24.9232 -4.39551 -8.89083 34.6503 24.9232 34.6503 20.3406 GPRESSAVG: 457200 0.971669 -4.77371 23.7794 -2.65271 -7.59404 34.1864 23.9796 35.9388 20.582 TIMING: 457200 CPU: 1328.06, 0.00288889/step Wall: 1328.06, 0.00288889/step, 3.64546 hours remaining, 203.339844 MB of memory in use. ENERGY: 457200 782.6594 2090.8225 1972.5599 122.2674 -206327.6775 17975.4493 0.0000 0.0000 34152.3353 -149231.5837 298.2608 -183383.9190 -149133.1053 299.3665 66.1558 99.9461 557175.0620 4.5134 4.6532 PRESSURE: 457400 -41.1583 -88.8544 114.941 -88.8547 -84.1211 141.303 114.94 141.304 -13.0746 GPRESSURE: 457400 2.30598 -160.832 88.5881 -25.3812 -51.3108 43.0369 222.006 153.709 2.86484 PRESSAVG: 457400 -10.4172 -53.7109 -23.3832 -53.7108 -11.1028 -2.47925 -23.3833 -2.47933 9.20182 GPRESSAVG: 457400 -10.1296 -54.03 -22.9541 -54.6468 -11.8959 -4.4134 -22.6744 -1.42282 9.6593 TIMING: 457400 CPU: 1328.64, 0.00288117/step Wall: 1328.64, 0.00288117/step, 3.63556 hours remaining, 203.339844 MB of memory in use. ENERGY: 457400 762.9567 2031.1377 1972.3914 103.7096 -206456.9310 17800.6200 0.0000 0.0000 34565.8543 -149220.2612 301.8722 -183786.1156 -149116.8107 299.5573 -46.1180 -15.3800 556895.7939 -4.1060 -4.1221 PRESSURE: 457600 -90.4989 -126.125 -107.132 -126.122 119.491 -160.945 -107.131 -160.946 165.789 GPRESSURE: 457600 -106.348 -117.973 59.8516 -142.425 180.941 -87.7089 -111.941 -111.434 228.701 PRESSAVG: 457600 -79.2666 -22.8845 7.83642 -22.8845 45.563 24.0948 7.83641 24.0947 58.3492 GPRESSAVG: 457600 -77.7359 -22.307 6.49369 -21.996 44.7927 26.2929 10.6097 22.8469 57.9793 TIMING: 457600 CPU: 1329.22, 0.00288137/step Wall: 1329.22, 0.00288137/step, 3.63565 hours remaining, 203.339844 MB of memory in use. ENERGY: 457600 728.3319 2051.6931 1985.7706 115.9771 -206142.9629 17948.8167 0.0000 0.0000 34164.8132 -149147.5604 298.3698 -183312.3735 -149049.5729 299.7241 64.9269 101.0979 558062.5418 8.2152 8.3454 PRESSURE: 457800 -43.4993 -188.368 81.2587 -188.368 100.466 97.8742 81.2599 97.8743 -179.952 GPRESSURE: 457800 -28.9101 -152.386 95.6894 -224.677 158.071 210.001 66.0805 51.6122 -152.428 PRESSAVG: 457800 -54.193 -11.8433 19.4463 -11.8433 16.1852 -36.5276 19.4463 -36.5276 27.7419 GPRESSAVG: 457800 -55.2559 -11.6413 21.5652 -13.69 16.4028 -36.8745 14.8495 -36.91 28.4372 TIMING: 457800 CPU: 1329.79, 0.0028744/step Wall: 1329.79, 0.0028744/step, 3.6267 hours remaining, 203.402344 MB of memory in use. ENERGY: 457800 741.9316 2057.2729 1965.3931 109.6018 -205916.9424 17758.9697 0.0000 0.0000 34141.3669 -149142.4064 298.1650 -183283.7734 -149050.8132 299.4895 -40.9952 -7.7556 558707.4081 -3.4220 -3.4720 PRESSURE: 458000 69.5358 56.0659 -56.7807 56.0669 72.0245 -98.7284 -56.7805 -98.7283 208.91 GPRESSURE: 458000 118.923 67.4221 -70.7578 92.0576 120.881 -140.284 -73.4768 -78.8877 184.831 PRESSAVG: 458000 98.911 0.754249 9.98115 0.7543 -48.6125 28.2863 9.9811 28.2862 -55.6075 GPRESSAVG: 458000 99.1397 -0.378044 10.6798 1.83851 -48.63 28.0217 11.3004 27.5153 -56.5146 TIMING: 458000 CPU: 1330.37, 0.00287387/step Wall: 1330.37, 0.00287387/step, 3.62587 hours remaining, 203.402344 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: 458000 729.1159 2125.1794 1961.9048 110.8392 -206245.5229 18040.8009 0.0000 0.0000 34032.3043 -149245.3784 297.2126 -183277.6827 -149145.3378 298.5466 116.8234 141.5453 558910.1869 -1.7696 -2.0016 PRESSURE: 458200 204.917 142.78 -70.0471 142.78 -239.762 -155.744 -70.0482 -155.745 63.84 GPRESSURE: 458200 234.189 104.145 -156.526 135.466 -175.984 -78.7293 -44.9607 -216.246 62.238 PRESSAVG: 458200 10.4606 8.12715 -48.2682 8.12712 -31.0506 5.53275 -48.2682 5.53268 20.114 GPRESSAVG: 458200 11.2745 10.4545 -49.9956 6.59928 -30.4072 4.67363 -46.9094 6.99282 18.2327 TIMING: 458200 CPU: 1330.94, 0.00287602/step Wall: 1330.94, 0.00287602/step, 3.62842 hours remaining, 203.402344 MB of memory in use. ENERGY: 458200 782.8043 2048.9325 1977.9299 106.2774 -206243.0680 18026.8192 0.0000 0.0000 34119.5791 -149180.7257 297.9748 -183300.3047 -149086.2143 298.8575 9.6652 40.1476 558090.5615 -0.1587 -0.3000 PRESSURE: 458400 -182.445 78.7472 139.912 78.7485 -291.4 -20.4887 139.913 -20.4883 -26.8611 GPRESSURE: 458400 -167.18 47.0475 156.377 52.7251 -264.669 -31.0648 121.098 -69.0333 22.4158 PRESSAVG: 458400 -39.1197 32.8639 -7.44146 32.8639 -23.1149 -28.6249 -7.44148 -28.6248 35.2874 GPRESSAVG: 458400 -41.0862 32.567 -6.71659 34.5587 -22.2173 -26.4401 -8.4733 -29.68 36.4263 TIMING: 458400 CPU: 1331.52, 0.00288713/step Wall: 1331.52, 0.00288713/step, 3.64228 hours remaining, 203.402344 MB of memory in use. ENERGY: 458400 770.4709 2042.1685 1994.0444 111.8925 -205935.0834 17702.1903 0.0000 0.0000 34360.6218 -148953.6950 300.0799 -183314.3168 -148867.6302 298.9945 -166.9020 -136.4779 560706.1496 -8.9824 -8.9590 PRESSURE: 458600 -230.217 97.8544 -153.818 97.8545 -8.22606 -59.1327 -153.817 -59.1331 -39.5301 GPRESSURE: 458600 -132.388 131.665 -86.4639 136.432 -37.8834 -39.552 -168.713 -79.9387 -26.6144 PRESSAVG: 458600 16.1064 -7.46482 18.75 -7.46482 -35.998 35.4627 18.7499 35.4628 21.1628 GPRESSAVG: 458600 16.2999 -9.13655 18.5199 -7.6199 -35.8985 33.9705 18.9053 36.2987 20.7032 TIMING: 458600 CPU: 1332.1, 0.00288576/step Wall: 1332.1, 0.00288576/step, 3.64039 hours remaining, 203.402344 MB of memory in use. ENERGY: 458600 765.0765 2042.5616 1973.9659 104.1268 -205818.7086 17782.3531 0.0000 0.0000 34264.5539 -148886.0708 299.2409 -183150.6247 -148791.3505 299.5160 -92.6577 -65.6286 558764.2176 0.4237 0.3682 PRESSURE: 458800 79.5174 -288.921 205.02 -288.921 -241.445 -139.397 205.019 -139.397 -54.2666 GPRESSURE: 458800 168.81 -310.341 199.23 -244.528 -229.916 -165.369 219.761 -69.0304 -66.6235 PRESSAVG: 458800 34.9017 26.8625 -27.4065 26.8625 -10.1175 35.7176 -27.4065 35.7177 29.3375 GPRESSAVG: 458800 36.2221 27.9401 -27.1526 26.5549 -11.775 37.865 -28.3498 33.3563 30.224 TIMING: 458800 CPU: 1332.67, 0.0028841/step Wall: 1332.67, 0.0028841/step, 3.63813 hours remaining, 203.402344 MB of memory in use. ENERGY: 458800 749.0136 2060.9968 1977.9503 119.3176 -205937.9209 17727.6926 0.0000 0.0000 34465.7001 -148837.2500 300.9975 -183302.9500 -148734.0239 300.1166 -72.0646 -42.5764 557996.5323 18.0406 18.2237 PRESSURE: 459000 23.7382 145.804 -98.2738 145.804 -49.8598 -80.3703 -98.2741 -80.3722 -205.031 GPRESSURE: 459000 11.5222 81.528 -28.4817 130.876 64.7915 -98.9061 -100.055 -55.5386 -218.058 PRESSAVG: 459000 6.60796 -40.8657 36.9035 -40.8657 -19.3425 -79.3605 36.9035 -79.3606 30.3116 GPRESSAVG: 459000 5.69056 -40.8493 36.5461 -43.5084 -18.2176 -79.8025 36.7138 -76.7387 30.2168 TIMING: 459000 CPU: 1333.25, 0.00290464/step Wall: 1333.25, 0.00290464/step, 3.66388 hours remaining, 203.402344 MB of memory in use. ENERGY: 459000 748.0677 2053.1881 1966.5376 114.1538 -205657.8081 17669.1502 0.0000 0.0000 34435.9611 -148670.7496 300.7378 -183106.7107 -148575.7870 300.6924 -77.0510 -47.2482 559843.7765 5.8590 5.8966 PRESSURE: 459200 -27.8325 29.403 86.901 29.4031 -274.249 -107.864 86.9012 -107.864 126.727 GPRESSURE: 459200 -17.7459 -38.8901 145.142 73.8608 -173.853 -121.093 114.328 -130.202 114.39 PRESSAVG: 459200 6.72152 -54.0588 -10.4155 -54.0589 32.9022 2.72146 -10.4154 2.72154 -29.7281 GPRESSAVG: 459200 7.84564 -52.7234 -10.524 -52.1961 32.6371 1.71489 -8.80527 1.75188 -30.1701 TIMING: 459200 CPU: 1333.84, 0.00290328/step Wall: 1333.84, 0.00290328/step, 3.66201 hours remaining, 203.402344 MB of memory in use. ENERGY: 459200 767.0836 2054.7671 1984.1675 116.4922 -205914.0488 17867.0079 0.0000 0.0000 34411.7955 -148712.7350 300.5268 -183124.5305 -148618.1623 300.9101 -58.4516 -25.7363 560371.6873 3.2986 3.4376 PRESSURE: 459400 90.5239 -19.4812 49.9534 -19.4819 -117.264 102.122 49.953 102.122 181.06 GPRESSURE: 459400 90.038 -103.308 35.1918 14.8889 -76.8019 165.966 -41.2008 23.6819 220.422 PRESSAVG: 459400 11.386 -71.0556 -18.8092 -71.0556 -84.2234 72.9884 -18.8093 72.9883 60.8998 GPRESSAVG: 459400 11.2085 -74.5706 -20.793 -69.5516 -83.1713 71.5773 -17.5339 73.7571 59.9967 TIMING: 459400 CPU: 1334.41, 0.00289355/step Wall: 1334.41, 0.00289355/step, 3.64957 hours remaining, 203.402344 MB of memory in use. ENERGY: 459400 752.6907 2132.9621 1981.6537 126.3794 -206000.2742 17823.6975 0.0000 0.0000 34332.9846 -148849.9062 299.8385 -183182.8908 -148754.7957 299.4833 51.4397 77.8861 559976.6202 -3.9792 -3.9887 PRESSURE: 459600 -200.945 -4.26951 -94.284 -4.26755 -199.816 88.2595 -94.2847 88.2566 -84.9008 GPRESSURE: 459600 -205.468 -58.2522 -93.8006 -40.9887 -190.481 92.3769 -26.2666 80.6388 11.2632 PRESSAVG: 459600 63.6211 -4.70078 -40.2437 -4.70076 -52.476 -0.226189 -40.2438 -0.226235 23.4188 GPRESSAVG: 459600 62.5779 -2.93981 -37.6398 -7.5436 -52.5639 1.3655 -42.4465 -1.2254 24.1737 TIMING: 459600 CPU: 1334.99, 0.00289566/step Wall: 1334.99, 0.00289566/step, 3.65207 hours remaining, 203.402344 MB of memory in use. ENERGY: 459600 712.2851 2147.4943 1978.4744 121.5084 -205572.4803 17436.5316 0.0000 0.0000 34404.3309 -148771.8556 300.4616 -183176.1866 -148674.1502 300.0650 -161.8873 -128.2285 559476.7991 11.5213 11.3959 PRESSURE: 459800 -92.2836 -40.3721 34.2532 -40.3725 -41.2255 -99.0929 34.2524 -99.0928 30.1587 GPRESSURE: 459800 -15.7676 -66.0177 15.4099 -14.898 -53.8629 -98.7102 77.2427 -77.1771 55.9066 PRESSAVG: 459800 15.7027 26.9098 -47.7501 26.9097 -34.335 -39.7561 -47.7501 -39.756 -7.00047 GPRESSAVG: 459800 15.5839 27.8343 -48.5128 27.8506 -35.7368 -40.8514 -46.0534 -39.056 -6.20479 TIMING: 459800 CPU: 1335.57, 0.00287662/step Wall: 1335.57, 0.00287662/step, 3.62789 hours remaining, 203.402344 MB of memory in use. ENERGY: 459800 756.8461 2058.0778 1964.9915 124.0214 -206026.9668 17909.2863 0.0000 0.0000 34534.0794 -148679.6642 301.5947 -183213.7437 -148585.2014 300.0108 -34.4501 -4.5746 560686.7757 -8.5443 -8.7859 PRESSURE: 460000 -173.19 67.9272 -97.4021 67.9271 -187.966 42.4058 -97.403 42.4055 -192.374 GPRESSURE: 460000 -194.755 -15.5565 -55.5764 137.663 -112.596 81.531 -219.381 45.5299 -145.249 PRESSAVG: 460000 7.36634 33.1714 -31.2949 33.1714 24.1159 13.0036 -31.2949 13.0036 -6.54861 GPRESSAVG: 460000 7.89971 34.0001 -31.0613 33.0823 25.4875 14.7356 -31.1599 12.3478 -8.29461 TIMING: 460000 CPU: 1336.15, 0.00288748/step Wall: 1336.15, 0.00288748/step, 3.64144 hours remaining, 203.402344 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: 460000 721.6258 2136.4111 1960.2053 119.0317 -205383.0865 17454.0818 0.0000 0.0000 34360.6197 -148631.1112 300.0798 -182991.7309 -148531.7242 300.4796 -184.5098 -150.8668 560831.9741 8.3112 8.3642 PRESSURE: 460200 -86.9568 -184.119 35.4392 -184.12 -25.3957 -11.908 35.4394 -11.9073 83.9738 GPRESSURE: 460200 -12.4375 -238.008 81.0665 -176.923 24.3084 36.6747 -101.924 -27.3587 60.6312 PRESSAVG: 460200 0.355423 -3.81661 29.5211 -3.81672 28.8576 17.8331 29.5211 17.8331 -71.7185 GPRESSAVG: 460200 0.947709 -4.63552 29.1894 -2.2475 27.9257 19.4762 28.1669 16.6042 -71.3516 TIMING: 460200 CPU: 1336.72, 0.00288661/step Wall: 1336.72, 0.00288661/step, 3.64017 hours remaining, 203.402344 MB of memory in use. ENERGY: 460200 756.3807 2107.6872 1976.3130 121.5378 -206095.2064 17882.3969 0.0000 0.0000 34494.2064 -148756.6845 301.2465 -183250.8909 -148655.1254 300.3350 -9.4596 24.1674 559136.5632 -14.1685 -14.1594 LDB: ============= START OF LOAD BALANCING ============== 1340.19 LDB: ============== END OF LOAD BALANCING =============== 1340.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1340.19 LDB: ============= START OF LOAD BALANCING ============== 1340.48 LDB: Largest compute 4820 load 0.027195 is 23.1% of average load 0.117564 LDB: Average compute 0.001728 is 1.5% of average load 0.117564 LDB: TIME 1340.48 LOAD: AVG 0.117564 MAX 0.176549 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.188 MB LDB: TIME 1340.48 LOAD: AVG 0.117564 MAX 0.176549 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.395 MB LDB: TIME 1340.48 LOAD: AVG 0.117564 MAX 0.176549 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1340.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1340.49 PRESSURE: 460400 70.7573 -38.2074 45.9735 -38.2063 -205.138 130.724 45.9733 130.725 -135.528 GPRESSURE: 460400 51.6357 41.7038 93.5536 -77.7658 -200.784 130.285 -4.09129 66.0764 -13.6256 PRESSAVG: 460400 -76.1459 43.6301 21.2716 43.6301 -9.98492 -14.252 21.2717 -14.2521 44.2845 GPRESSAVG: 460400 -76.6332 44.4835 20.0225 42.8598 -9.85672 -15.9885 21.8329 -13.9729 44.7204 TIMING: 460400 CPU: 1337.31, 0.00294566/step Wall: 1337.31, 0.00294566/step, 3.71448 hours remaining, 205.867188 MB of memory in use. ENERGY: 460400 763.7612 2100.4104 1953.0064 129.2799 -205918.4246 17855.0195 0.0000 0.0000 34234.7371 -148882.2102 298.9805 -183116.9473 -148784.9702 299.7597 -89.9695 -54.2578 559966.5436 -13.9488 -13.9232 PRESSURE: 460600 -8.04366 124.842 107.207 124.841 -68.8585 -22.374 107.208 -22.374 38.5849 GPRESSURE: 460600 32.6847 71.2928 81.4398 102.028 -22.4329 -84.3951 112.373 -61.0598 42.931 PRESSAVG: 460600 31.154 10.8229 50.2172 10.823 -39.959 34.0625 50.2173 34.0626 7.47665 GPRESSAVG: 460600 31.1796 9.27827 51.0468 11.9998 -39.1128 32.3155 49.6909 36.0105 6.86884 TIMING: 460600 CPU: 1337.9, 0.00291848/step Wall: 1337.9, 0.00291848/step, 3.68004 hours remaining, 205.937500 MB of memory in use. ENERGY: 460600 801.9905 2151.5505 1955.3539 110.2050 -205969.3265 17796.6636 0.0000 0.0000 34313.0792 -148840.4838 299.6647 -183153.5631 -148744.8480 299.7187 -12.7724 17.7276 558624.8921 -0.4428 -0.3548 PRESSURE: 460800 -102.376 -73.1828 -21.2852 -73.1825 -182.602 -132.675 -21.2856 -132.674 42.9283 GPRESSURE: 460800 -60.4226 -95.1391 -116.417 -111.544 -98.5579 -84.9546 13.3165 -143.331 20.1604 PRESSAVG: 460800 28.6389 -3.94591 -21.4728 -3.94589 -77.9204 9.72622 -21.4728 9.72622 21.014 GPRESSAVG: 460800 27.9784 -2.55452 -20.7195 -5.31146 -75.7469 12.7998 -22.9113 9.01828 19.7723 TIMING: 460800 CPU: 1338.47, 0.00289415/step Wall: 1338.47, 0.00289415/step, 3.64921 hours remaining, 205.937500 MB of memory in use. ENERGY: 460800 728.0257 2123.7628 1965.7265 128.3543 -206171.6641 17753.7771 0.0000 0.0000 34638.1511 -148833.8666 302.5036 -183472.0177 -148727.6245 300.0967 -80.6833 -46.2734 560116.5416 -9.4225 -9.3320 PRESSURE: 461000 81.1648 -185.881 99.1077 -185.88 96.5074 -9.12979 99.1063 -9.13083 -5.54814 GPRESSURE: 461000 186.456 -203.928 218.239 -178.919 70.3986 -135.377 95.1438 117.721 19.5808 PRESSAVG: 461000 -6.90064 17.3192 -15.6373 17.3191 35.185 -1.75041 -15.6372 -1.75042 -40.4068 GPRESSAVG: 461000 -6.01064 15.025 -16.4014 18.0545 33.5866 -4.7755 -15.1811 -1.48377 -39.1604 TIMING: 461000 CPU: 1339.05, 0.00287667/step Wall: 1339.05, 0.00287667/step, 3.627 hours remaining, 205.937500 MB of memory in use. ENERGY: 461000 769.8614 2096.6123 1978.0358 121.7029 -206331.8391 18142.1895 0.0000 0.0000 34398.1975 -148825.2398 300.4080 -183223.4373 -148731.3054 300.6631 57.3747 92.1452 559582.6095 -4.0408 -3.8615 PRESSURE: 461200 61.0705 -27.3697 -122.089 -27.3694 118.32 -27.8991 -122.09 -27.8998 -109.489 GPRESSURE: 461200 68.783 6.33161 -146.041 -27.5256 165.496 -63.9137 -168.036 -31.5967 -64.1449 PRESSAVG: 461200 34.7176 44.5697 -10.6264 44.5698 -17.5122 -41.0441 -10.6264 -41.0442 19.383 GPRESSAVG: 461200 33.9608 46.2734 -10.6675 42.7337 -18.4058 -40.0251 -8.8505 -40.241 21.322 TIMING: 461200 CPU: 1339.63, 0.00288136/step Wall: 1339.63, 0.00288136/step, 3.63276 hours remaining, 206.132812 MB of memory in use. ENERGY: 461200 766.1663 2082.0447 1967.3888 118.5321 -205863.0066 17874.4475 0.0000 0.0000 34306.8693 -148747.5579 299.6104 -183054.4272 -148657.2898 300.6292 23.3008 56.7115 558971.3586 12.1961 12.2924 PRESSURE: 461400 45.0201 34.2446 146.411 34.2449 -125.106 102.709 146.411 102.71 -58.4036 GPRESSURE: 461400 74.5125 25.6163 85.0421 -18.3894 -40.1114 143.127 226.556 7.7795 -76.8641 PRESSAVG: 461400 97.6587 32.708 39.1694 32.708 19.7194 -20.9703 39.1694 -20.9705 -60.0025 GPRESSAVG: 461400 98.2939 32.8889 37.647 35.593 19.5579 -19.5032 36.934 -24.2296 -60.8565 TIMING: 461400 CPU: 1340.2, 0.00288771/step Wall: 1340.2, 0.00288771/step, 3.6406 hours remaining, 206.132812 MB of memory in use. ENERGY: 461400 762.4541 2114.6286 1974.4841 118.0090 -205704.7858 17575.5582 0.0000 0.0000 34505.8413 -148653.8104 301.3481 -183159.6518 -148550.3823 300.7164 -46.1633 -14.1543 559530.4276 19.1252 18.9984 PRESSURE: 461600 96.8339 85.1531 46.8041 85.1528 -272.291 -90.1822 46.8036 -90.1827 -112.672 GPRESSURE: 461600 130.572 91.0008 -8.91443 106.546 -219.865 -55.2574 97.2435 -74.8742 -108.553 PRESSAVG: 461600 27.9402 3.75587 23.7776 3.75583 -20.7571 -17.5483 23.7775 -17.5484 -26.2056 GPRESSAVG: 461600 27.7391 2.21065 24.9427 4.32463 -20.4951 -19.9301 25.2948 -15.2064 -26.3973 TIMING: 461600 CPU: 1340.78, 0.00289951/step Wall: 1340.78, 0.00289951/step, 3.65531 hours remaining, 206.132812 MB of memory in use. ENERGY: 461600 743.5404 2069.9983 1948.3011 116.4858 -205972.7072 17886.5390 0.0000 0.0000 34492.7899 -148715.0527 301.2341 -183207.8426 -148622.5992 300.0637 -96.0430 -65.9487 560375.8035 -6.3408 -6.3844 PRESSURE: 461800 -21.2538 3.65584 16.8789 3.65564 -154.812 72.3686 16.8786 72.3686 -193.482 GPRESSURE: 461800 -30.1277 -100.256 -8.51222 -32.3416 -121.614 118.025 -4.28166 42.3592 -122.328 PRESSAVG: 461800 23.9211 -20.551 -7.77022 -20.551 3.58647 -23.6828 -7.77018 -23.6827 -11.8196 GPRESSAVG: 461800 22.5496 -21.3634 -6.20504 -20.201 3.94221 -23.8255 -9.59587 -23.1402 -10.9343 TIMING: 461800 CPU: 1341.36, 0.00288804/step Wall: 1341.36, 0.00288804/step, 3.64069 hours remaining, 206.132812 MB of memory in use. ENERGY: 461800 750.6945 2104.0461 1970.8000 119.8527 -205467.4637 17647.0488 0.0000 0.0000 34299.5896 -148575.4319 299.5468 -182875.0216 -148485.4298 300.4097 -123.1826 -91.3566 560818.6911 5.2293 5.1858 PRESSURE: 462000 264.826 -158.088 -93.402 -158.087 -75.5594 -20.0394 -93.4011 -20.0397 138.286 GPRESSURE: 462000 273.982 -144.385 -18.7751 -113.517 -13.4206 -7.99251 -109.439 -122.048 162.891 PRESSAVG: 462000 38.8958 -0.435614 17.8439 -0.435554 -53.0495 9.93284 17.8439 9.93285 7.02396 GPRESSAVG: 462000 40.8253 1.44366 17.4212 -2.62158 -53.1781 12.7533 18.9847 9.38413 4.84684 TIMING: 462000 CPU: 1341.94, 0.00289895/step Wall: 1341.94, 0.00289895/step, 3.65429 hours remaining, 206.335938 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: 462000 738.8086 2130.7911 1975.5760 109.0688 -206206.6487 18083.1841 0.0000 0.0000 34467.2676 -148701.9525 301.0112 -183169.2202 -148611.5977 300.6570 109.1841 141.1508 558466.7626 -2.3766 -2.5020 PRESSURE: 462200 -251.791 -5.44002 108.727 -5.43916 -149.513 117.301 108.726 117.3 -216.761 GPRESSURE: 462200 -215.446 30.736 188.812 29.5772 -164.326 93.6317 39.2985 159.327 -148.12 PRESSAVG: 462200 34.6066 -14.935 27.1734 -14.935 49.9831 50.8755 27.1734 50.8755 -73.3886 GPRESSAVG: 462200 35.1698 -13.335 26.5988 -15.7206 49.0272 50.2223 26.7969 51.1675 -72.9337 TIMING: 462200 CPU: 1342.52, 0.00289293/step Wall: 1342.52, 0.00289293/step, 3.64654 hours remaining, 206.335938 MB of memory in use. ENERGY: 462200 725.8497 2182.4034 1991.7806 109.8114 -205715.1415 17594.0000 0.0000 0.0000 34315.9938 -148795.3025 299.6901 -183111.2964 -148703.0672 299.9045 -206.0216 -175.9638 559654.3538 3.7337 3.7544 PRESSURE: 462400 85.0706 -18.1094 37.2862 -18.1097 -95.9608 30.2242 37.2858 30.2262 145.952 GPRESSURE: 462400 66.066 -45.6625 73.161 -38.7388 -19.9549 142.611 -24.0039 10.6977 179.889 PRESSAVG: 462400 -29.8702 -74.9389 1.50823 -74.9389 -15.2402 -20.3422 1.50823 -20.3421 49.7533 GPRESSAVG: 462400 -30.23 -75.1593 0.00562086 -75.2478 -14.8389 -20.0065 3.65574 -21.3096 50.5281 TIMING: 462400 CPU: 1343.1, 0.0029056/step Wall: 1343.1, 0.0029056/step, 3.66235 hours remaining, 206.335938 MB of memory in use. ENERGY: 462400 722.4186 2111.7252 1973.5421 125.3376 -206335.7277 18036.9706 0.0000 0.0000 34630.5485 -148735.1851 302.4372 -183365.7337 -148636.9365 299.8353 45.0205 75.3334 558527.3985 1.5476 1.8197 PRESSURE: 462600 -42.2357 -54.9092 152.496 -54.9101 115.694 68.261 152.496 68.262 41.9433 GPRESSURE: 462600 -29.7092 -95.9136 63.1971 -24.8535 89.4773 112.102 223.065 98.2589 159.471 PRESSAVG: 462600 -41.7394 12.5749 36.9811 12.5749 93.6743 22.1335 36.9811 22.1335 -1.12381 GPRESSAVG: 462600 -42.1358 11.5982 37.906 12.4593 93.4829 21.4234 34.4146 22.6905 -0.493493 TIMING: 462600 CPU: 1343.68, 0.00289806/step Wall: 1343.68, 0.00289806/step, 3.65268 hours remaining, 206.335938 MB of memory in use. ENERGY: 462600 756.4782 2075.5421 1975.1649 123.4347 -206261.1774 17931.8620 0.0000 0.0000 34478.1980 -148920.4976 301.1067 -183398.6956 -148820.3414 300.2130 38.4670 73.0796 557299.9051 16.9370 16.9512 PRESSURE: 462800 -29.5645 -64.7559 -60.1622 -64.7554 -321.673 178.942 -60.1621 178.942 152.738 GPRESSURE: 462800 -13.7057 -44.0476 -38.2188 -8.53252 -266.463 141.411 -41.5907 182.648 176.97 PRESSAVG: 462800 32.8892 13.5784 13.372 13.5784 -3.26787 37.1062 13.3721 37.1062 -21.0944 GPRESSAVG: 462800 32.1072 13.011 14.1506 15.2107 -2.20782 36.756 14.394 34.4621 -21.6545 TIMING: 462800 CPU: 1344.25, 0.00287167/step Wall: 1344.25, 0.00287167/step, 3.61926 hours remaining, 206.335938 MB of memory in use. ENERGY: 462800 754.3806 2056.2676 1984.4783 111.3858 -206227.3212 17922.7648 0.0000 0.0000 34501.7442 -148896.2998 301.3123 -183398.0440 -148798.4459 300.0152 -66.1666 -34.3997 559693.1213 2.8423 2.7483 PRESSURE: 463000 -119.162 -57.3453 87.0069 -57.3434 -68.125 -111.952 87.0075 -111.952 -192.782 GPRESSURE: 463000 -69.4117 -46.4305 16.7929 -87.008 -54.5316 -38.2538 73.439 -100.804 -174.396 PRESSAVG: 463000 -34.2753 -25.7206 25.8051 -25.7205 17.382 9.6524 25.8051 9.65239 33.1733 GPRESSAVG: 463000 -34.4657 -25.2949 26.0076 -24.9593 18.1382 7.1114 24.5731 11.5516 32.8403 TIMING: 463000 CPU: 1344.84, 0.00293492/step Wall: 1344.84, 0.00293492/step, 3.69881 hours remaining, 206.335938 MB of memory in use. ENERGY: 463000 795.5577 2075.6524 1989.8145 113.0692 -206133.5215 17903.3832 0.0000 0.0000 34335.6337 -148920.4108 299.8616 -183256.0445 -148826.2007 300.0985 -126.6895 -99.4465 560324.7930 5.4267 5.5043 PRESSURE: 463200 -119.567 17.0377 -105.055 17.0369 14.6564 97.9404 -105.055 97.9399 105.486 GPRESSURE: 463200 -95.1445 -15.1828 -77.5977 61.5781 67.3531 154.492 -142.073 -0.399548 130.68 PRESSAVG: 463200 -20.8302 -66.3397 28.0293 -66.3397 34.6863 13.1224 28.0294 13.1225 -66.7556 GPRESSAVG: 463200 -19.4529 -66.014 25.4191 -67.83 34.0043 14.9363 30.9221 14.1458 -67.1863 TIMING: 463200 CPU: 1345.43, 0.00291807/step Wall: 1345.43, 0.00291807/step, 3.67742 hours remaining, 206.335938 MB of memory in use. ENERGY: 463200 777.6179 2036.5861 1988.0680 116.2098 -206312.1567 17964.0941 0.0000 0.0000 34472.4036 -148957.1772 301.0561 -183429.5808 -148872.2965 299.2976 0.1917 34.2961 558209.8072 -17.6332 -17.5450 PRESSURE: 463400 -211.057 -5.9958 -5.73307 -5.99503 -97.3266 27.3154 -5.73435 27.3162 -114.174 GPRESSURE: 463400 -168.672 18.1004 109.347 94.5181 -30.3241 16.5854 -60.2986 24.4234 -128.583 PRESSAVG: 463400 -75.0355 0.606288 22.9855 0.606246 68.6154 -27.993 22.9855 -27.993 8.39004 GPRESSAVG: 463400 -75.199 -1.82261 26.9802 1.48078 68.9768 -28.134 20.8042 -29.2095 7.84334 TIMING: 463400 CPU: 1346, 0.00288959/step Wall: 1346, 0.00288959/step, 3.64136 hours remaining, 206.335938 MB of memory in use. ENERGY: 463400 752.7772 2139.6430 1961.0155 110.9840 -205845.7689 17674.9972 0.0000 0.0000 34451.1449 -148755.2070 300.8704 -183206.3519 -148662.3619 300.0607 -140.8525 -109.1930 559042.0319 0.6567 0.5404 PRESSURE: 463600 260.472 -204.06 31.5554 -204.059 -43.3068 27.6311 31.5548 27.6302 69.4443 GPRESSURE: 463600 245.308 -121.235 34.5767 -131.395 19.6086 -4.08624 3.76342 51.4511 119.648 PRESSAVG: 463600 -10.2186 0.521161 25.7517 0.521084 1.38894 -26.7832 25.7516 -26.7832 5.88069 GPRESSAVG: 463600 -11.8519 2.31382 25.3427 1.10313 1.47361 -25.8951 27.1899 -26.751 8.02703 TIMING: 463600 CPU: 1346.58, 0.00290556/step Wall: 1346.58, 0.00290556/step, 3.66132 hours remaining, 206.335938 MB of memory in use. ENERGY: 463600 718.5216 2132.2658 2004.5049 110.3751 -206165.1486 17764.2348 0.0000 0.0000 34497.1962 -148938.0502 301.2726 -183435.2464 -148839.4423 300.1818 95.5364 128.1880 557702.1330 -0.9830 -0.7838 PRESSURE: 463800 -112.747 30.1369 -125.557 30.1371 -375.212 -99.5727 -125.558 -99.5714 -271.225 GPRESSURE: 463800 -51.9382 -40.0943 -176.016 45.2542 -323.54 -99.9285 -133.076 -82.2786 -288.701 PRESSAVG: 463800 2.56114 -44.3366 10.6104 -44.3365 -64.0883 14.0356 10.6104 14.0357 49.4452 GPRESSAVG: 463800 2.73647 -44.478 11.636 -45.3498 -64.0826 10.8947 8.70148 15.5813 49.295 TIMING: 463800 CPU: 1347.16, 0.00290022/step Wall: 1347.16, 0.00290022/step, 3.65444 hours remaining, 206.335938 MB of memory in use. ENERGY: 463800 729.9439 2119.7367 1949.9768 120.0496 -205679.4774 17449.3044 0.0000 0.0000 34292.9761 -149017.4899 299.4891 -183310.4659 -148914.1172 300.1116 -253.0615 -221.3931 559002.4238 -4.0273 -4.0171 PRESSURE: 464000 226.207 -41.6196 -169.057 -41.6198 183.478 11.6271 -169.056 11.6289 -22.9015 GPRESSURE: 464000 247.721 3.51657 -191.619 -151.869 268.751 -23.4182 -108.05 -28.8765 -32.1551 PRESSAVG: 464000 -28.0819 -27.8499 -3.23159 -27.8499 -21.5788 -28.6329 -3.23162 -28.6329 46.7295 GPRESSAVG: 464000 -28.4911 -27.4186 -5.14838 -28.1502 -21.2033 -27.0501 -2.88874 -29.7402 46.9539 TIMING: 464000 CPU: 1347.74, 0.00288625/step Wall: 1347.74, 0.00288625/step, 3.63668 hours remaining, 206.335938 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: 464000 751.4988 2079.0720 1985.5920 112.7132 -206181.9925 18020.8261 0.0000 0.0000 34188.6101 -149043.6803 298.5776 -183232.2904 -148949.8154 299.2914 128.9278 161.4389 558060.4540 -0.9771 -0.9135 PRESSURE: 464200 204.909 42.8196 -184.166 42.8198 176.72 86.0965 -184.166 86.0962 205.975 GPRESSURE: 464200 253.407 38.1447 -154.881 5.88536 181.661 47.0875 -203.321 7.07365 259.849 PRESSAVG: 464200 -14.4608 -5.92372 -17.7763 -5.92373 -4.15596 -5.7138 -17.7764 -5.71385 28.9016 GPRESSAVG: 464200 -14.1099 -6.47633 -17.0212 -4.54137 -4.37473 -6.89995 -17.3716 -5.87942 29.0006 TIMING: 464200 CPU: 1348.32, 0.00289854/step Wall: 1348.32, 0.00289854/step, 3.652 hours remaining, 206.335938 MB of memory in use. ENERGY: 464200 688.8266 2075.4963 1973.4333 108.7925 -206213.3298 18043.9433 0.0000 0.0000 34226.1104 -149096.7274 298.9051 -183322.8378 -148995.9002 299.8853 195.8681 231.6391 557120.3327 3.4283 3.5053 LDB: ============= START OF LOAD BALANCING ============== 1351.79 LDB: ============== END OF LOAD BALANCING =============== 1351.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1351.79 LDB: ============= START OF LOAD BALANCING ============== 1352.08 LDB: Largest compute 4820 load 0.027414 is 23.3% of average load 0.117498 LDB: Average compute 0.001743 is 1.5% of average load 0.117498 LDB: TIME 1352.08 LOAD: AVG 0.117498 MAX 0.178648 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.609 MB LDB: TIME 1352.08 LOAD: AVG 0.117498 MAX 0.178648 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: TIME 1352.08 LOAD: AVG 0.117498 MAX 0.178648 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1352.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1352.09 PRESSURE: 464400 -71.0061 -3.63381 -109.427 -3.63339 259.644 -145.605 -109.427 -145.603 -35.8578 GPRESSURE: 464400 -23.1308 48.8562 -104.706 -33.2958 286.448 -104.62 -100.543 -139.07 -17.1024 PRESSAVG: 464400 34.9304 -2.73943 -42.3565 -2.73937 -62.7843 -18.3042 -42.3566 -18.304 14.0959 GPRESSAVG: 464400 33.9952 -3.23752 -42.444 -3.27893 -63.3211 -15.6732 -42.4004 -18.2287 15.3317 TIMING: 464400 CPU: 1348.91, 0.00294574/step Wall: 1348.91, 0.00294574/step, 3.7113 hours remaining, 203.843750 MB of memory in use. ENERGY: 464400 749.1618 2055.8359 1974.1725 108.8686 -206257.4160 17909.1539 0.0000 0.0000 34299.6145 -149160.6088 299.5471 -183460.2234 -149060.3470 299.5478 50.9268 82.0715 556376.4597 -4.5860 -4.6647 PRESSURE: 464600 156.341 33.8354 -31.8308 33.8346 47.2756 -35.6247 -31.8297 -35.6245 -84.6632 GPRESSURE: 464600 180.261 78.501 -31.2392 -2.47247 73.031 -60.9612 -8.22798 44.5057 -24.092 PRESSAVG: 464600 73.4758 50.37 -33.8465 50.37 -100.607 -29.3229 -33.8465 -29.3229 14.6931 GPRESSAVG: 464600 72.8858 48.2935 -33.6549 50.9717 -100.293 -31.2252 -35.5329 -27.0395 14.1021 TIMING: 464600 CPU: 1349.49, 0.00289083/step Wall: 1349.49, 0.00289083/step, 3.64197 hours remaining, 204.210938 MB of memory in use. ENERGY: 464600 718.8507 2127.9183 1963.0276 106.7459 -206028.9460 17722.1712 0.0000 0.0000 34407.1983 -148983.0340 300.4866 -183390.2322 -148891.1979 299.8640 39.6511 76.4000 556468.4012 -4.1462 -4.4350 PRESSURE: 464800 28.859 -3.9439 -8.88282 -3.94297 13.6456 60.1021 -8.8825 60.1009 -53.5521 GPRESSURE: 464800 86.509 -82.3993 55.2676 67.1181 42.4777 97.0982 12.8101 -1.89619 -51.955 PRESSAVG: 464800 -29.0594 5.69572 -13.2283 5.69575 -57.7251 35.4861 -13.2282 35.4862 28.7685 GPRESSAVG: 464800 -28.8841 6.00654 -12.1675 5.26151 -56.7479 35.5107 -13.1325 31.3313 28.0413 TIMING: 464800 CPU: 1350.07, 0.00290198/step Wall: 1350.07, 0.00290198/step, 3.65584 hours remaining, 204.210938 MB of memory in use. ENERGY: 464800 757.9211 2132.4242 1991.6027 104.6200 -206086.0301 17705.3829 0.0000 0.0000 34442.7191 -148951.3601 300.7968 -183394.0792 -148848.4497 299.9072 -3.6825 25.6772 555746.2423 -19.3387 -19.1969 PRESSURE: 465000 -33.9817 69.5488 -174.411 69.5505 -43.7249 223.472 -174.411 223.472 99.8512 GPRESSURE: 465000 -12.6484 20.7625 -124.508 121.616 -7.04341 131.721 -175.769 272.625 141.811 PRESSAVG: 465000 36.3846 -27.2296 -10.852 -27.2297 -91.6282 49.174 -10.8518 49.1741 47.9183 GPRESSAVG: 465000 37.1121 -25.7676 -10.2303 -25.3523 -92.5257 48.3992 -10.1756 50.6911 48.2065 TIMING: 465000 CPU: 1350.65, 0.00288929/step Wall: 1350.65, 0.00288929/step, 3.6397 hours remaining, 204.210938 MB of memory in use. ENERGY: 465000 737.4039 2126.3808 1948.5139 117.0290 -205939.7253 17742.2743 0.0000 0.0000 34347.6695 -148920.4539 299.9667 -183268.1234 -148821.5241 299.8731 7.3815 40.7065 558590.4469 -2.4418 -2.4024 PRESSURE: 465200 -175.151 -63.0929 -115 -63.0925 -86.9273 102.803 -115.001 102.803 192.868 GPRESSURE: 465200 -73.3881 -57.6012 -130.092 -54.6899 -60.2248 33.7392 -178.11 146.857 170.212 PRESSAVG: 465200 -52.9042 35.8778 0.31415 35.8778 1.34006 21.0213 0.314076 21.0211 95.8333 GPRESSAVG: 465200 -53.2363 33.7969 -2.21111 36.4378 1.30894 23.218 0.186063 18.9717 95.8477 TIMING: 465200 CPU: 1351.23, 0.00291405/step Wall: 1351.23, 0.00291405/step, 3.67074 hours remaining, 204.210938 MB of memory in use. ENERGY: 465200 721.0441 2129.1171 1966.7867 138.5950 -205966.5435 17761.8928 0.0000 0.0000 34466.1688 -148782.9390 301.0016 -183249.1078 -148688.5194 300.6355 -23.0702 12.1996 558235.7681 14.7564 14.6401 PRESSURE: 465400 -214.057 -114.958 58.8221 -114.958 -368.846 152.85 58.8215 152.852 -7.14313 GPRESSURE: 465400 -179.093 -134.531 69.7537 -67.3632 -302.958 256.771 120.407 80.4766 -18.3136 PRESSAVG: 465400 -15.6229 -12.8383 2.59589 -12.8382 -23.3112 -43.7682 2.59592 -43.7681 -0.619114 GPRESSAVG: 465400 -15.5444 -10.475 3.02755 -15.0961 -22.521 -43.1987 3.69116 -44.4285 -1.66408 TIMING: 465400 CPU: 1351.81, 0.00290737/step Wall: 1351.81, 0.00290737/step, 3.66216 hours remaining, 204.210938 MB of memory in use. ENERGY: 465400 708.8761 2075.5022 1986.9631 116.4835 -205658.8854 17543.0781 0.0000 0.0000 34545.8009 -148682.1814 301.6971 -183227.9824 -148585.6512 300.9157 -196.6819 -166.7885 558363.9830 -13.1844 -13.2432 PRESSURE: 465600 -7.82527 -28.0259 47.056 -28.0236 -87.053 -4.02936 47.0565 -4.02886 -262.339 GPRESSURE: 465600 -42.4874 54.1712 79.3578 -97.2108 -34.534 22.8362 17.4771 -38.0011 -196.945 PRESSAVG: 465600 15.9017 23.4454 -24.5392 23.4453 -10.9766 -12.5952 -24.5392 -12.5951 -9.9037 GPRESSAVG: 465600 15.2041 22.7927 -24.1913 22.6778 -11.2944 -14.8081 -25.3971 -10.3582 -8.68415 TIMING: 465600 CPU: 1352.4, 0.00291852/step Wall: 1352.4, 0.00291852/step, 3.67603 hours remaining, 204.210938 MB of memory in use. ENERGY: 465600 754.1827 2121.1955 1978.1441 110.1674 -205618.6811 17496.7675 0.0000 0.0000 34473.4150 -148684.8088 301.0649 -183158.2239 -148591.4952 300.6885 -119.0724 -91.3222 559881.1713 -1.6595 -1.5915 PRESSURE: 465800 -161.536 10.6711 -52.6814 10.6706 -342.39 -26.0595 -52.682 -26.0588 -273.748 GPRESSURE: 465800 -166.165 -19.0039 -66.9026 66.7578 -313.437 -60.1618 -81.4845 -77.0301 -210.921 PRESSAVG: 465800 -17.4088 9.56877 -18.0722 9.5688 -30.275 2.00641 -18.0723 2.00634 58.9593 GPRESSAVG: 465800 -16.7331 8.62822 -18.6438 10.3515 -29.7401 3.10108 -18.7531 0.801944 57.548 TIMING: 465800 CPU: 1352.98, 0.00293353/step Wall: 1352.98, 0.00293353/step, 3.69478 hours remaining, 204.210938 MB of memory in use. ENERGY: 465800 801.8410 2071.2469 2006.6828 113.7671 -205123.9734 17359.8582 0.0000 0.0000 34236.2920 -148534.2854 298.9941 -182770.5775 -148441.8847 301.0116 -259.2246 -230.1743 560739.2107 3.7585 3.6916 PRESSURE: 466000 0.475742 16.1117 100.824 16.112 -194.067 -12.413 100.824 -12.4128 -43.1153 GPRESSURE: 466000 33.7602 31.9071 59.0191 -5.59338 -121.7 9.74191 77.3131 -8.3593 -53.8005 PRESSAVG: 466000 -46.0273 -46.7135 16.9247 -46.7135 -52.0588 32.569 16.9247 32.5691 55.7203 GPRESSAVG: 466000 -46.4237 -45.262 16.0109 -48.374 -52.235 34.1812 17.6164 33.9622 56.3657 TIMING: 466000 CPU: 1353.57, 0.0029388/step Wall: 1353.57, 0.0029388/step, 3.70126 hours remaining, 204.210938 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: 466000 765.8649 2016.7647 1996.2481 114.7959 -205298.4739 17471.7480 0.0000 0.0000 34276.7401 -148656.3122 299.3473 -182933.0523 -148558.1819 300.5901 -78.9023 -47.2466 558527.2717 -14.1219 -14.0977 PRESSURE: 466200 -273.04 -231.419 -8.393 -231.419 -146.646 35.0652 -8.39372 35.065 119.271 GPRESSURE: 466200 -235.802 -210.683 20.1917 -183.902 -114.686 28.4206 72.3939 47.8435 141.71 PRESSAVG: 466200 -8.61445 -15.3954 21.1966 -15.3955 7.09489 0.540764 21.1967 0.5407 -5.75687 GPRESSAVG: 466200 -7.50286 -15.3816 21.9748 -14.1686 6.36751 0.180217 20.6314 -0.353088 -6.33195 TIMING: 466200 CPU: 1354.15, 0.00291689/step Wall: 1354.15, 0.00291689/step, 3.67349 hours remaining, 204.210938 MB of memory in use. ENERGY: 466200 770.9265 2063.1972 1956.9043 103.4865 -205490.4113 17575.6281 0.0000 0.0000 34431.8113 -148588.4574 300.7016 -183020.2687 -148494.6208 300.6630 -100.1385 -69.5928 557454.2452 -2.4255 -2.4891 PRESSURE: 466400 136.322 112.158 -58.8083 112.158 258.061 31.0169 -58.8092 31.0168 111.191 GPRESSURE: 466400 141.277 87.0943 24.857 188.41 276.265 96.1965 18.1716 19.9394 174.923 PRESSAVG: 466400 -15.3166 -36.2228 6.35105 -36.2227 29.9814 -0.718235 6.35102 -0.718209 14.4713 GPRESSAVG: 466400 -15.2135 -37.161 7.94387 -35.3756 29.6349 -2.17857 4.99509 0.834647 14.9057 TIMING: 466400 CPU: 1354.73, 0.00289821/step Wall: 1354.73, 0.00289821/step, 3.64982 hours remaining, 204.210938 MB of memory in use. ENERGY: 466400 740.5163 2099.2196 1982.2028 119.7662 -205826.2778 17953.2210 0.0000 0.0000 34284.0751 -148647.2769 299.4114 -182931.3520 -148553.2527 301.3428 168.5246 197.4883 557109.4397 9.7120 9.7757 PRESSURE: 466600 -24.8163 58.8449 82.1046 58.8435 -205.252 14.1828 82.1044 14.1812 -97.3963 GPRESSURE: 466600 -10.7072 3.28291 22.3472 93.3212 -132.388 21.0111 102.288 40.6635 -76.3 PRESSAVG: 466600 6.29311 11.8507 -64.2342 11.8506 7.10348 -15.8281 -64.2341 -15.8281 8.66958 GPRESSAVG: 466600 6.32787 13.2225 -64.6473 11.0778 7.79576 -16.2662 -62.8483 -17.6635 8.19712 TIMING: 466600 CPU: 1355.31, 0.00287758/step Wall: 1355.31, 0.00287758/step, 3.62367 hours remaining, 204.210938 MB of memory in use. ENERGY: 466600 769.0816 2038.8293 1986.5608 109.9589 -205926.3424 17673.4714 0.0000 0.0000 34477.8111 -148870.6293 301.1033 -183348.4404 -148771.6346 300.3260 -109.1549 -73.1319 558182.2131 7.3554 7.4403 PRESSURE: 466800 -95.8707 40.3504 171.253 40.3498 -10.908 -46.8805 171.254 -46.8813 25.5086 GPRESSURE: 466800 -102.745 19.77 144.754 -62.2622 36.8704 37.2349 224.282 -105.003 68.619 PRESSAVG: 466800 -18.7016 -41.1395 40.3074 -41.1394 2.83698 19.7637 40.3074 19.7636 3.10955 GPRESSAVG: 466800 -20.136 -40.9078 40.2149 -40.9483 3.05109 19.2139 40.7583 22.1745 3.88424 TIMING: 466800 CPU: 1355.89, 0.00289228/step Wall: 1355.89, 0.00289228/step, 3.64202 hours remaining, 204.210938 MB of memory in use. ENERGY: 466800 758.4803 2070.5853 1971.5414 118.9503 -205660.7337 17677.7426 0.0000 0.0000 34238.6164 -148824.8175 299.0144 -183063.4339 -148728.3042 299.8165 -27.0900 0.9149 558054.3182 -4.2517 -4.4002 PRESSURE: 467000 46.8777 -93.4929 148.048 -93.4925 -64.1628 78.4342 148.047 78.436 -354.155 GPRESSURE: 467000 42.4094 -61.5739 75.4643 -54.1674 -66.8579 9.76958 151.751 70.9607 -243.377 PRESSAVG: 467000 31.8173 41.4316 -7.47356 41.4317 -23.0737 2.45501 -7.47362 2.45507 -43.4412 GPRESSAVG: 467000 32.6305 42.5747 -7.26956 40.6513 -23.5223 3.03069 -7.69244 0.235031 -43.3688 TIMING: 467000 CPU: 1356.47, 0.00289649/step Wall: 1356.47, 0.00289649/step, 3.64716 hours remaining, 204.210938 MB of memory in use. ENERGY: 467000 757.2751 2084.4253 1962.1993 101.3266 -205562.4183 17552.4300 0.0000 0.0000 34440.7856 -148663.9762 300.7799 -183104.7618 -148567.2053 300.0953 -123.8135 -89.2753 558704.2680 -11.5659 -11.4202 PRESSURE: 467200 -201.179 33.0955 -48.7938 33.0946 -163.863 149.217 -48.7936 149.217 -203.381 GPRESSURE: 467200 -160.267 21.2576 -98.8478 74.2803 -98.0823 147.192 77.5421 74.6024 -215.131 PRESSAVG: 467200 11.5441 14.4596 17.3718 14.4596 -40.4219 -7.83999 17.3718 -7.83991 80.8943 GPRESSAVG: 467200 12.8217 12.5144 16.4066 14.196 -41.363 -6.93518 18.3213 -8.42108 80.3879 TIMING: 467200 CPU: 1357.05, 0.00290184/step Wall: 1357.05, 0.00290184/step, 3.65374 hours remaining, 204.210938 MB of memory in use. ENERGY: 467200 717.8477 2099.2705 1979.3676 115.3917 -205398.2733 17302.8319 0.0000 0.0000 34349.5861 -148833.9776 299.9835 -183183.5637 -148738.2908 300.0107 -189.4744 -157.8270 558799.0391 17.3388 17.2822 PRESSURE: 467400 -61.2948 24.2696 48.56 24.2693 -151.569 167.318 48.5603 167.318 53.6847 GPRESSURE: 467400 -51.8225 50.6231 1.48066 37.7916 -109.504 99.8246 86.6617 190.916 83.8815 PRESSAVG: 467400 -20.8218 35.2148 58.1838 35.2146 -7.08292 57.1126 58.1837 57.1125 33.0658 GPRESSAVG: 467400 -21.5525 34.8815 57.43 37.6512 -6.54915 56.4964 57.2431 59.3622 33.3396 TIMING: 467400 CPU: 1357.63, 0.00289654/step Wall: 1357.63, 0.00289654/step, 3.6469 hours remaining, 204.210938 MB of memory in use. ENERGY: 467400 726.3082 2080.5977 1972.8539 117.6274 -205778.5853 17771.1138 0.0000 0.0000 34368.8590 -148741.2253 300.1518 -183110.0843 -148647.5290 299.6153 -53.0598 -25.8151 557698.6827 1.7204 1.7460 PRESSURE: 467600 105.964 112.34 35.5382 112.34 -82.4342 26.9956 35.5404 26.9958 52.4384 GPRESSURE: 467600 89.4854 165.436 146.195 69.7154 -20.2928 87.6352 41.0974 -3.01477 96.6864 PRESSAVG: 467600 -51.4233 39.4876 35.4428 39.4875 -4.60233 -8.81551 35.4428 -8.81556 32.6539 GPRESSAVG: 467600 -52.8788 41.0403 37.0059 38.0976 -3.94797 -9.6186 33.988 -7.73069 33.1505 TIMING: 467600 CPU: 1358.21, 0.00290158/step Wall: 1358.21, 0.00290158/step, 3.65309 hours remaining, 204.210938 MB of memory in use. ENERGY: 467600 727.3973 2094.4479 1958.6363 119.7280 -206291.4407 18116.4663 0.0000 0.0000 34468.7338 -148806.0310 301.0240 -183274.7648 -148710.4672 300.1268 25.3227 55.2930 559599.8310 -7.7906 -7.8921 PRESSURE: 467800 -10.2181 118.293 2.81583 118.293 68.5255 -281.144 2.81583 -281.144 -22.4959 GPRESSURE: 467800 23.8355 86.7178 13.5156 131.629 120.359 -236.381 -22.2417 -255.179 -11.9509 PRESSAVG: 467800 27.1155 22.4345 12.4794 22.4345 12.7844 -52.242 12.4795 -52.2421 -6.60714 GPRESSAVG: 467800 28.4834 21.0516 11.4613 23.457 12.2846 -50.2407 14.7465 -53.6806 -7.11036 TIMING: 467800 CPU: 1358.78, 0.00288808/step Wall: 1358.78, 0.00288808/step, 3.63593 hours remaining, 204.210938 MB of memory in use. ENERGY: 467800 732.4621 2073.1218 1989.8137 113.1903 -206025.3671 17881.6738 0.0000 0.0000 34304.2042 -148930.9012 299.5871 -183235.1054 -148838.1550 300.2192 11.9372 44.0811 559386.5309 11.0976 11.2192 PRESSURE: 468000 58.0539 -153.372 45.9588 -153.371 74.917 6.26639 45.959 6.2658 -138.601 GPRESSURE: 468000 102.266 -175.449 63.9561 -143.54 72.2728 0.58368 65.9554 20.3718 -100.755 PRESSAVG: 468000 45.9101 32.7083 5.38131 32.7083 -15.8699 -62.2327 5.38129 -62.2326 -26.2493 GPRESSAVG: 468000 45.9076 32.4967 5.78233 34.8814 -16.4715 -64.0491 4.18294 -62.0985 -25.278 TIMING: 468000 CPU: 1359.36, 0.00289722/step Wall: 1359.36, 0.00289722/step, 3.64727 hours remaining, 204.210938 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: 468000 734.9169 2046.1733 1962.5507 115.5869 -205896.9456 17741.3285 0.0000 0.0000 34308.2920 -148988.0972 299.6228 -183296.3892 -148893.7744 299.5024 -1.8768 24.5947 558313.4616 1.2636 1.3860 PRESSURE: 468200 54.6011 -13.6673 -105.185 -13.6667 0.868098 -237.565 -105.186 -237.566 -82.3971 GPRESSURE: 468200 71.3327 -21.9076 -83.4977 71.8524 21.5815 -202.596 -28.8751 -224.161 -10.9005 PRESSAVG: 468200 10.8034 -25.7873 37.7833 -25.7873 -8.96235 -0.461121 37.7832 -0.461245 -1.7527 GPRESSAVG: 468200 11.3077 -24.1474 35.6584 -27.4698 -8.27226 1.65169 38.6718 -0.56906 -2.72125 TIMING: 468200 CPU: 1359.95, 0.00292803/step Wall: 1359.95, 0.00292803/step, 3.6859 hours remaining, 204.210938 MB of memory in use. ENERGY: 468200 701.4518 2048.9897 1963.7063 127.9398 -205958.2422 17817.9164 0.0000 0.0000 34165.9672 -149132.2710 298.3799 -183298.2381 -149037.8502 299.5392 -8.9760 27.3379 558394.8732 0.0294 0.1047 LDB: ============= START OF LOAD BALANCING ============== 1363.41 LDB: ============== END OF LOAD BALANCING =============== 1363.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1363.41 LDB: ============= START OF LOAD BALANCING ============== 1363.7 LDB: Largest compute 4820 load 0.028425 is 24.2% of average load 0.117526 LDB: Average compute 0.001738 is 1.5% of average load 0.117526 LDB: TIME 1363.71 LOAD: AVG 0.117526 MAX 0.175078 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.199 MB LDB: TIME 1363.71 LOAD: AVG 0.117526 MAX 0.175078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.199 MB LDB: TIME 1363.71 LOAD: AVG 0.117526 MAX 0.175078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1363.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1363.71 PRESSURE: 468400 149.167 -129.51 -69.8206 -129.51 -79.4006 -145.236 -69.8209 -145.237 62.3814 GPRESSURE: 468400 156.866 69.9264 -56.8287 -139.061 -26.8485 -184.769 -111.831 -136.91 85.0734 PRESSAVG: 468400 31.8156 23.2004 -20.8899 23.2003 -26.4321 -9.13127 -20.8899 -9.13124 -27.16 GPRESSAVG: 468400 31.8755 22.8504 -20.0778 22.6737 -27.4524 -11.2524 -20.8278 -7.91964 -26.544 TIMING: 468400 CPU: 1360.54, 0.00294701/step Wall: 1360.54, 0.00294701/step, 3.70963 hours remaining, 203.847656 MB of memory in use. ENERGY: 468400 747.2430 2130.2790 1989.0209 116.0089 -206034.8038 17940.7500 0.0000 0.0000 34147.2467 -148964.2553 298.2164 -183111.5020 -148869.3626 299.1015 44.0493 71.6971 559279.3998 -7.2588 -7.3736 PRESSURE: 468600 -93.3488 161.006 27.3642 161.005 0.855016 3.7871 27.3649 3.7868 -51.3705 GPRESSURE: 468600 -36.3346 121.465 77.0539 159.256 -15.2749 -93.8142 -11.6722 50.2449 5.31301 PRESSAVG: 468600 15.8243 -20.2594 20.5064 -20.2595 -33.092 -6.42776 20.5064 -6.4279 59.6281 GPRESSAVG: 468600 16.8656 -18.3161 21.1059 -20.975 -32.763 -5.61615 21.8333 -7.51734 59.4207 TIMING: 468600 CPU: 1361.12, 0.00290355/step Wall: 1361.12, 0.00290355/step, 3.65476 hours remaining, 203.847656 MB of memory in use. ENERGY: 468600 745.6273 2047.2363 1955.4364 112.9079 -206211.6875 17931.9150 0.0000 0.0000 34209.4098 -149209.1548 298.7593 -183418.5646 -149108.0817 299.1038 -47.9548 -15.4322 558675.7264 14.1201 14.5078 PRESSURE: 468800 -239.824 -102.971 86.2037 -102.972 61.6612 -71.0209 86.2055 -71.02 354.039 GPRESSURE: 468800 -102.057 -80.2344 80.6502 7.39663 27.5178 -21.7859 37.0241 -38.407 346.553 PRESSAVG: 468800 7.82157 -9.46923 9.41937 -9.46917 -28.9255 11.2133 9.41939 11.2133 51.5445 GPRESSAVG: 468800 7.00631 -12.8263 9.80505 -9.0502 -27.7906 9.81075 8.07068 12.0924 51.4091 TIMING: 468800 CPU: 1361.7, 0.00290261/step Wall: 1361.7, 0.00290261/step, 3.65342 hours remaining, 203.847656 MB of memory in use. ENERGY: 468800 714.3389 2081.8026 1951.0755 115.7810 -206241.0314 17992.2959 0.0000 0.0000 33970.2082 -149415.5292 296.6703 -183385.7375 -149318.4875 298.4541 58.6257 90.6712 558908.4049 10.1469 10.2083 PRESSURE: 469000 64.0447 90.6276 4.42431 90.6276 -114.902 40.6245 4.4242 40.6253 69.3704 GPRESSURE: 469000 102.826 39.4938 -48.1957 163.028 -62.0353 124.836 100.626 -14.6487 68.365 PRESSAVG: 469000 -22.9405 2.62472 -2.93672 2.62474 29.6235 3.03337 -2.93665 3.03331 27.8549 GPRESSAVG: 469000 -22.7265 4.30935 -4.50627 1.79672 29.2042 2.86218 -1.97953 3.36831 28.423 TIMING: 469000 CPU: 1362.28, 0.0028897/step Wall: 1362.28, 0.0028897/step, 3.63701 hours remaining, 203.847656 MB of memory in use. ENERGY: 469000 761.4037 2045.0632 1966.8312 110.0665 -206411.0828 18021.1680 0.0000 0.0000 33934.1888 -149572.3614 296.3557 -183506.5502 -149471.5225 297.6325 6.1710 36.3853 559159.6635 11.5127 11.6336 PRESSURE: 469200 5.89032 -83.912 -95.0306 -83.912 -261.096 -110.515 -95.0304 -110.516 -87.1514 GPRESSURE: 469200 15.692 -175.407 -19.8821 32.6779 -190.341 -51.5288 -8.65279 -179.386 -70.7592 PRESSAVG: 469200 -11.2649 -23.8109 15.3266 -23.8109 5.05106 27.1839 15.3267 27.1839 -9.94058 GPRESSAVG: 469200 -11.245 -25.0952 17.3044 -23.5572 5.84137 28.5482 12.025 26.0181 -9.95377 TIMING: 469200 CPU: 1362.85, 0.00288962/step Wall: 1362.85, 0.00288962/step, 3.63674 hours remaining, 204.195312 MB of memory in use. ENERGY: 469200 760.7208 1989.1782 1955.2985 111.7283 -206493.9074 17808.2645 0.0000 0.0000 34209.6841 -149659.0331 298.7617 -183868.7172 -149566.1633 297.4199 -114.1191 -81.8026 557760.9506 -5.3848 -5.1191 PRESSURE: 469400 -320.99 -82.2039 -158.173 -82.204 51.413 57.6824 -158.173 57.6823 17.7949 GPRESSURE: 469400 -316.652 -28.0563 -207.968 -88.8517 68.3442 106.172 -175.19 89.2792 90.3945 PRESSAVG: 469400 -73.0538 -25.1847 -32.5483 -25.1847 25.2805 -32.4065 -32.5484 -32.4065 21.1334 GPRESSAVG: 469400 -74.1567 -23.5363 -33.5001 -26.5807 24.4319 -31.1097 -30.053 -31.5129 23.3353 TIMING: 469400 CPU: 1363.44, 0.00291073/step Wall: 1363.44, 0.00291073/step, 3.66315 hours remaining, 204.195312 MB of memory in use. ENERGY: 469400 716.6974 2027.8119 1970.2996 115.8366 -206315.3030 17739.8859 0.0000 0.0000 34218.3500 -149526.4215 298.8374 -183744.7716 -149432.8493 298.5821 -83.9274 -52.6377 558713.7986 -8.8800 -8.7965 PRESSURE: 469600 -171.955 88.597 40.0038 88.5989 -202.62 -106.043 40.0031 -106.044 -51.0901 GPRESSURE: 469600 -109.987 127.257 12.0526 5.67635 -217.505 -26.6911 85.4463 -184.692 -7.44622 PRESSAVG: 469600 -24.3188 1.99229 -7.70042 1.99237 37.152 -36.9638 -7.70052 -36.9637 -9.33631 GPRESSAVG: 469600 -23.8124 4.12784 -7.31806 2.04819 38.5965 -38.7857 -7.81977 -37.9284 -11.3778 TIMING: 469600 CPU: 1364.02, 0.00290514/step Wall: 1364.02, 0.00290514/step, 3.65596 hours remaining, 204.195312 MB of memory in use. ENERGY: 469600 772.5170 2036.6919 1976.0054 105.9401 -206341.4016 17821.6167 0.0000 0.0000 34011.2015 -149617.4289 297.0283 -183628.6305 -149520.4822 298.2183 -141.8886 -111.6461 557136.9286 1.1656 1.1354 PRESSURE: 469800 -20.5383 -26.0181 164.546 -26.0176 143.241 5.56086 164.548 5.5608 -62.5378 GPRESSURE: 469800 1.34036 -39.3895 170.4 62.6705 189.156 -48.5292 106.767 70.8792 -40.3491 PRESSAVG: 469800 8.14186 -41.6253 -9.60621 -41.6253 31.9217 55.9503 -9.60613 55.9502 -29.5406 GPRESSAVG: 469800 7.90088 -46.1692 -9.85965 -38.6266 31.218 55.4476 -9.92171 54.7331 -28.3899 TIMING: 469800 CPU: 1364.6, 0.00290294/step Wall: 1364.6, 0.00290294/step, 3.65303 hours remaining, 204.195312 MB of memory in use. ENERGY: 469800 734.5433 2040.2351 1969.1073 100.4465 -206569.9145 17905.2465 0.0000 0.0000 34187.6159 -149632.7199 298.5690 -183820.3358 -149531.3163 297.4114 20.0550 50.0490 557158.3447 3.5076 3.5763 PRESSURE: 470000 105.941 32.4446 77.0347 32.4451 -29.1656 69.3118 77.0348 69.3125 -126.088 GPRESSURE: 470000 123.788 -35.1227 105.046 29.7687 17.0994 -4.14046 18.9185 65.0498 -105.889 PRESSAVG: 470000 -2.36695 -17.2565 -23.275 -17.2565 -6.17765 74.2788 -23.2749 74.2787 -43.2173 GPRESSAVG: 470000 -1.77119 -15.5753 -22.4003 -18.6754 -5.84604 74.1222 -23.4879 76.5086 -44.146 TIMING: 470000 CPU: 1365.18, 0.00289399/step Wall: 1365.18, 0.00289399/step, 3.64161 hours remaining, 204.195312 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: 470000 715.2585 2053.1183 1974.9543 113.2557 -206367.1525 17874.0012 0.0000 0.0000 34035.3794 -149601.1851 297.2394 -183636.5645 -149502.0164 297.7015 -16.4374 11.6662 557797.1995 -17.2540 -17.2544 PRESSURE: 470200 -18.9064 206.905 21.685 206.904 143.121 -2.93916 21.6837 -2.93962 114.459 GPRESSURE: 470200 0.587652 89.0221 44.6273 286.86 145.905 21.0783 -62.8531 19.5159 175.497 PRESSAVG: 470200 86.2094 -32.4528 -20.4975 -32.4528 -33.263 43.8503 -20.4974 43.8501 -12.9318 GPRESSAVG: 470200 87.2271 -35.4379 -21.3064 -29.7727 -33.6428 45.1269 -21.0368 42.3652 -13.3673 TIMING: 470200 CPU: 1365.75, 0.00287509/step Wall: 1365.75, 0.00287509/step, 3.61766 hours remaining, 204.195312 MB of memory in use. ENERGY: 470200 777.1585 2081.1351 1977.4051 119.8032 -206690.3203 18062.1188 0.0000 0.0000 34055.6268 -149617.0727 297.4163 -183672.6995 -149526.9161 298.0722 79.5578 107.3301 557281.5057 13.3382 13.4057 PRESSURE: 470400 60.9468 102.873 -81.701 102.873 -194.283 76.491 -81.7011 76.4912 -148.67 GPRESSURE: 470400 98.3715 126.105 -22.0771 47.0554 -139.876 -27.3668 -144.417 114.647 -141.664 PRESSAVG: 470400 14.8047 21.5122 4.12698 21.5121 30.1978 29.2842 4.127 29.2842 -51.4564 GPRESSAVG: 470400 14.0717 23.4687 5.49806 18.7263 30.5055 30.3179 3.72709 28.4878 -51.4359 TIMING: 470400 CPU: 1366.33, 0.00287397/step Wall: 1366.33, 0.00287397/step, 3.6161 hours remaining, 204.195312 MB of memory in use. ENERGY: 470400 705.3665 2084.1802 1970.2740 105.3995 -205918.2087 17544.6683 0.0000 0.0000 34131.5464 -149376.7738 298.0793 -183508.3202 -149275.6724 298.3833 -94.0021 -61.0561 557646.4282 -2.1513 -2.2862 PRESSURE: 470600 30.2256 40.6353 4.90655 40.6353 -571.951 -20.5882 4.90691 -20.589 -213.332 GPRESSURE: 470600 53.9835 9.39762 45.9069 42.585 -520.727 -21.4362 -28.3756 10.9437 -208.619 PRESSAVG: 470600 27.2959 25.0866 32.7502 25.0865 -41.4778 34.7228 32.7501 34.7227 -14.2413 GPRESSAVG: 470600 28.0085 24.2329 30.8477 25.5241 -42.3263 32.9697 34.2108 35.0634 -14.2938 TIMING: 470600 CPU: 1366.9, 0.00287024/step Wall: 1366.9, 0.00287024/step, 3.61124 hours remaining, 204.195312 MB of memory in use. ENERGY: 470600 750.4227 2048.0379 1984.6671 120.3490 -205993.3160 17451.8320 0.0000 0.0000 34131.9836 -149506.0236 298.0831 -183638.0072 -149402.3479 298.3926 -251.6858 -225.1209 557774.9354 -9.4744 -9.5372 PRESSURE: 470800 45.0076 3.95867 -103.801 3.95847 197.868 -70.2994 -103.802 -70.2994 -109.192 GPRESSURE: 470800 42.0339 -39.7433 -153.36 -16.4935 201.966 -32.6473 -45.9317 -50.3246 -16.3093 PRESSAVG: 470800 98.0175 15.2471 -30.359 15.2471 -53.0252 17.2198 -30.359 17.2199 -48.5316 GPRESSAVG: 470800 96.4944 15.1808 -29.2835 15.947 -51.9797 18.2429 -33.5585 19.9552 -47.4455 TIMING: 470800 CPU: 1367.48, 0.00288707/step Wall: 1367.48, 0.00288707/step, 3.63226 hours remaining, 204.195312 MB of memory in use. ENERGY: 470800 737.1448 2077.5628 1967.4097 111.5506 -206388.1582 17840.0731 0.0000 0.0000 34085.5705 -149568.8467 297.6778 -183654.4172 -149470.8167 298.1802 44.5613 75.8968 557897.7883 -1.1797 -0.9769 PRESSURE: 471000 116.904 89.7233 -119.533 89.7225 -79.6996 -18.6452 -119.533 -18.6447 45.7516 GPRESSURE: 471000 123.631 122.51 -61.8767 57.5576 -9.55855 -51.6775 -127.083 -17.9738 62.6332 PRESSAVG: 471000 -22.121 57.2208 17.4476 57.2209 -4.68496 -3.36034 17.4476 -3.36032 55.0685 GPRESSAVG: 471000 -22.3465 58.4383 17.709 56.2883 -5.24115 -2.71581 19.1793 -5.95958 55.9943 TIMING: 471000 CPU: 1368.06, 0.00289949/step Wall: 1368.06, 0.00289949/step, 3.64771 hours remaining, 204.195312 MB of memory in use. ENERGY: 471000 759.5849 2123.1003 1952.4643 107.8280 -206550.7113 17855.6921 0.0000 0.0000 34368.5606 -149383.4811 300.1492 -183752.0417 -149294.4090 298.8403 27.6519 58.9019 556250.4200 9.4208 9.4689 PRESSURE: 471200 36.1635 -79.6691 1.91984 -79.6695 2.70165 43.9871 1.92001 43.9867 64.2556 GPRESSURE: 471200 83.0156 -72.4761 -76.3421 -108.158 -64.5124 42.8382 96.6343 -21.9356 175.946 PRESSAVG: 471200 52.476 7.09049 36.9856 7.09055 -49.8411 -13.805 36.9856 -13.8049 25.3685 GPRESSAVG: 471200 53.9098 9.35403 36.7757 6.19839 -49.552 -13.3054 36.6084 -13.0811 23.5337 TIMING: 471200 CPU: 1368.64, 0.00291709/step Wall: 1368.64, 0.00291709/step, 3.6697 hours remaining, 204.195312 MB of memory in use. ENERGY: 471200 743.3863 2059.4499 1997.8819 92.8872 -206426.7891 17821.3774 0.0000 0.0000 34317.9923 -149393.8140 299.7076 -183711.8064 -149298.4497 299.2728 34.3736 64.8163 557113.5157 9.3345 9.2971 PRESSURE: 471400 60.0167 73.013 -1.37103 73.0132 -10.8524 24.2534 -1.37192 24.2545 79.6571 GPRESSURE: 471400 90.4048 6.69055 -31.1656 26.6572 14.2126 45.9145 -28.8238 -70.1824 114.855 PRESSAVG: 471400 78.0815 31.1124 -14.1806 31.1124 -94.0253 66.3127 -14.1807 66.3126 12.8292 GPRESSAVG: 471400 77.6235 28.7527 -16.07 33.0063 -93.7724 64.2611 -13.5177 67.8073 13.5345 TIMING: 471400 CPU: 1369.22, 0.00290297/step Wall: 1369.22, 0.00290297/step, 3.65178 hours remaining, 204.195312 MB of memory in use. ENERGY: 471400 750.2649 2107.0808 1962.1611 131.1827 -206200.9803 17918.5148 0.0000 0.0000 34157.9491 -149173.8270 298.3099 -183331.7761 -149080.9446 298.5350 42.9405 73.1576 556951.9383 -1.0382 -0.8715 PRESSURE: 471600 -59.1724 61.0795 -18.4651 61.0793 -18.3132 57.6191 -18.4657 57.6204 -99.4275 GPRESSURE: 471600 -12.8688 124.685 -52.2443 41.7746 26.7796 73.2803 -3.31289 -2.08494 -78.1059 PRESSAVG: 471600 47.4806 31.3601 12.6089 31.3601 -6.47639 -16.8202 12.6089 -16.8202 -7.19371 GPRESSAVG: 471600 47.2432 30.9846 12.6547 31.6604 -6.14229 -17.4037 13.8318 -17.2248 -7.61935 TIMING: 471600 CPU: 1369.8, 0.00288477/step Wall: 1369.8, 0.00288477/step, 3.62872 hours remaining, 204.195312 MB of memory in use. ENERGY: 471600 762.8880 2068.5584 1961.3165 115.4580 -206370.7447 17860.1564 0.0000 0.0000 34300.3957 -149301.9718 299.5539 -183602.3675 -149203.3457 299.0124 -58.9710 -21.3983 558373.2047 11.2702 11.1605 PRESSURE: 471800 -125.662 -44.9022 -61.5903 -44.9031 60.8475 16.1836 -61.5896 16.1831 -14.4351 GPRESSURE: 471800 -93.8108 -65.7848 14.7388 -109.082 77.593 56.9172 -19.1681 -1.3038 28.5594 PRESSAVG: 471800 -7.20411 -19.9349 -6.73222 -19.9349 -1.69655 -7.09408 -6.73214 -7.094 -5.68958 GPRESSAVG: 471800 -7.0509 -18.2969 -5.17843 -21.1019 -3.16228 -6.39008 -9.28428 -7.6641 -4.48266 TIMING: 471800 CPU: 1370.38, 0.00289009/step Wall: 1370.38, 0.00289009/step, 3.63526 hours remaining, 204.195312 MB of memory in use. ENERGY: 471800 734.0223 2068.2734 1946.5702 118.7576 -206208.1635 17842.9362 0.0000 0.0000 34444.8212 -149052.7826 300.8152 -183497.6039 -148959.4450 299.1904 -26.4167 4.1139 559169.7522 -4.8634 -4.8986 PRESSURE: 472000 -262.086 34.8513 -79.3989 34.8506 -142.394 -15.073 -79.3998 -15.0719 -81.0485 GPRESSURE: 472000 -220.924 -9.46757 -155.882 92.2312 -75.7031 -88.4637 -109.686 33.7467 -94.593 PRESSAVG: 472000 -8.31056 14.7821 -55.124 14.7823 41.4344 7.21369 -55.1239 7.2136 -23.0568 GPRESSAVG: 472000 -8.12974 13.2336 -55.0004 15.5256 41.2492 5.75474 -54.6254 8.73097 -23.8364 TIMING: 472000 CPU: 1370.96, 0.00289395/step Wall: 1370.96, 0.00289395/step, 3.63994 hours remaining, 204.195312 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: 472000 743.5949 2149.6219 1967.0983 117.0842 -206015.7214 17594.2343 0.0000 0.0000 34133.6105 -149310.4772 298.0973 -183444.0877 -149209.2528 299.8212 -161.8429 -130.4068 558402.3419 3.3557 3.0944 PRESSURE: 472200 -64.0864 92.2805 -331.121 92.2818 -70.8111 40.5177 -331.121 40.5165 -259.439 GPRESSURE: 472200 -45.4704 58.8871 -339.24 23.3169 -73.4857 -25.7465 -366.673 22.106 -191.299 PRESSAVG: 472200 10.5936 25.5455 -20.7862 25.5455 -23.2098 24.5093 -20.7863 24.5093 -3.08052 GPRESSAVG: 472200 11.1845 23.7664 -20.2354 25.9894 -23.3152 26.389 -21.1461 21.9799 -3.59584 TIMING: 472200 CPU: 1371.53, 0.00288608/step Wall: 1371.53, 0.00288608/step, 3.62988 hours remaining, 204.195312 MB of memory in use. ENERGY: 472200 728.9321 2093.4754 1987.8730 110.3207 -206330.2233 17652.4147 0.0000 0.0000 34441.6627 -149315.5447 300.7876 -183757.2074 -149214.6792 298.9099 -131.4455 -103.4185 557329.3848 -5.2322 -5.2422 LDB: ============= START OF LOAD BALANCING ============== 1375 LDB: ============== END OF LOAD BALANCING =============== 1375 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1375 LDB: ============= START OF LOAD BALANCING ============== 1375.29 LDB: Largest compute 4820 load 0.027901 is 23.7% of average load 0.117511 LDB: Average compute 0.001731 is 1.5% of average load 0.117511 LDB: TIME 1375.29 LOAD: AVG 0.117511 MAX 0.176839 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.82 MB LDB: TIME 1375.29 LOAD: AVG 0.117511 MAX 0.176839 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.824 MB LDB: TIME 1375.29 LOAD: AVG 0.117511 MAX 0.176839 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.824 MB LDB: ============== END OF LOAD BALANCING =============== 1375.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1375.3 PRESSURE: 472400 -158.478 68.6718 -20.4021 68.6714 32.4645 178.991 -20.4027 178.991 -136.075 GPRESSURE: 472400 -162.221 26.7067 52.3813 114.133 120.459 290.001 -137.471 54.2535 -133.983 PRESSAVG: 472400 -2.85879 -26.017 -25.8205 -26.017 -19.9048 24.3189 -25.8206 24.3189 -50.5119 GPRESSAVG: 472400 -4.74226 -25.4869 -25.3339 -25.3674 -18.5726 23.1096 -25.528 26.4091 -50.286 TIMING: 472400 CPU: 1372.12, 0.00294943/step Wall: 1372.12, 0.00294943/step, 3.7094 hours remaining, 205.257812 MB of memory in use. ENERGY: 472400 727.4758 2150.9784 1957.9730 115.0519 -206089.6085 17630.3234 0.0000 0.0000 34230.0738 -149277.7322 298.9397 -183507.8061 -149172.7151 298.6250 -87.3630 -58.5818 557284.7839 -24.4252 -24.5336 PRESSURE: 472600 -139.884 10.0901 -71.2576 10.0896 270.246 -57.8744 -71.2561 -57.8747 64.252 GPRESSURE: 472600 -146.622 64.1346 -83.4556 52.8713 305.188 2.93752 70.4654 -46.8337 135.475 PRESSAVG: 472600 1.28788 27.5683 -4.85376 27.5683 50.732 32.0443 -4.85369 32.0442 -26.3197 GPRESSAVG: 472600 1.33705 29.8632 -6.0627 24.4445 50.7818 34.469 -3.46519 30.8801 -26.5281 TIMING: 472600 CPU: 1372.7, 0.00290324/step Wall: 1372.7, 0.00290324/step, 3.65115 hours remaining, 205.257812 MB of memory in use. ENERGY: 472600 728.4045 2073.6049 1948.8955 112.8927 -206310.5575 17950.3337 0.0000 0.0000 34172.9184 -149323.5078 298.4406 -183496.4262 -149215.7203 298.9892 64.8712 98.0137 557493.8254 8.5667 8.5303 PRESSURE: 472800 170.889 -97.3936 -22.3225 -97.393 -12.5388 156.228 -22.3219 156.228 19.8858 GPRESSURE: 472800 263.946 -122.85 -47.9561 -27.9271 -16.933 185.344 50.1242 92.7593 30.579 PRESSAVG: 472800 -53.4164 13.6478 -7.26271 13.6478 0.0909315 28.0562 -7.26261 28.0563 49.1138 GPRESSAVG: 472800 -52.9239 14.0629 -8.15785 14.5561 -0.837682 26.8418 -7.61128 29.6376 49 TIMING: 472800 CPU: 1373.28, 0.00288822/step Wall: 1373.28, 0.00288822/step, 3.6321 hours remaining, 205.257812 MB of memory in use. ENERGY: 472800 725.2972 2121.5935 1944.0725 114.3180 -206469.7909 17937.8274 0.0000 0.0000 34293.9283 -149332.7540 299.4974 -183626.6823 -149235.0853 299.3351 59.4120 92.5307 557651.4027 -1.4039 -1.5872 PRESSURE: 473000 -31.6748 6.09475 -81.9985 6.09497 -68.4695 -57.4881 -81.998 -57.4884 119.479 GPRESSURE: 473000 3.16647 77.084 -66.3146 -33.484 7.56923 15.5861 -19.8018 -45.9428 108.953 PRESSAVG: 473000 38.2073 -30.2807 9.77021 -30.2808 6.15623 18.3138 9.77017 18.3139 47.2926 GPRESSAVG: 473000 37.7448 -30.8445 11.0331 -31.1041 5.92871 19.0072 8.95251 17.0141 47.8039 TIMING: 473000 CPU: 1373.87, 0.00292544/step Wall: 1373.87, 0.00292544/step, 3.67874 hours remaining, 205.257812 MB of memory in use. ENERGY: 473000 733.3390 2112.3037 1969.9827 114.4879 -206260.1776 17889.3421 0.0000 0.0000 34338.0066 -149102.7155 299.8824 -183440.7221 -149005.3689 299.0269 6.4450 39.8963 557962.6871 30.5520 30.4925 PRESSURE: 473200 -324.894 -128.01 -92.099 -128.011 -363.339 -101.335 -92.0978 -101.334 19.6565 GPRESSURE: 473200 -307.801 -173.204 -54.0557 -117.695 -281.926 -49.5559 -118.724 -183.206 6.60149 PRESSAVG: 473200 -7.56217 -28.914 -38.2909 -28.9139 -68.8002 12.9105 -38.2909 12.9105 66.2593 GPRESSAVG: 473200 -7.4817 -28.4181 -39.3482 -28.5913 -68.0445 11.526 -37.9596 11.2062 65.6406 TIMING: 473200 CPU: 1374.45, 0.00291341/step Wall: 1374.45, 0.00291341/step, 3.66345 hours remaining, 205.257812 MB of memory in use. ENERGY: 473200 759.8113 2067.3212 1975.5513 102.0487 -206099.3017 17620.2496 0.0000 0.0000 34389.8181 -149184.5015 300.3348 -183574.3196 -149082.8325 299.4794 -222.8588 -194.3749 557519.6627 -3.3677 -3.2952 PRESSURE: 473400 98.6915 13.5002 -81.0758 13.5005 41.2825 -37.3066 -81.0739 -37.3068 -13.1597 GPRESSURE: 473400 117.647 -34.2082 -57.1218 92.1513 63.6452 -118.777 -71.8936 -34.0183 46.7254 PRESSAVG: 473400 -75.7389 11.3554 4.22655 11.3555 -1.21909 -18.7714 4.22654 -18.7714 79.2689 GPRESSAVG: 473400 -74.629 11.9232 2.747 10.7761 -2.93494 -19.0696 4.03432 -17.0136 80.5744 TIMING: 473400 CPU: 1375.03, 0.00288375/step Wall: 1375.03, 0.00288375/step, 3.626 hours remaining, 205.468750 MB of memory in use. ENERGY: 473400 751.4981 2047.1939 1942.2553 116.0017 -206003.2800 17647.5778 0.0000 0.0000 34386.5756 -149112.1777 300.3065 -183498.7533 -149013.3519 299.3979 42.2714 76.0057 556231.5996 0.7703 1.0035 PRESSURE: 473600 106.358 64.0697 46.5557 64.0707 -244.795 241.206 46.5545 241.204 -204.128 GPRESSURE: 473600 128.448 116.843 21.4739 34.0119 -200.558 262.306 111.089 251.937 -183.3 PRESSAVG: 473600 -6.85721 -16.7449 -30.71 -16.7449 -10.6165 23.9637 -30.7099 23.9636 10.6572 GPRESSAVG: 473600 -7.64573 -18.6588 -29.2222 -15.7107 -9.51596 24.6507 -30.5417 20.9683 10.0737 TIMING: 473600 CPU: 1375.6, 0.00288821/step Wall: 1375.6, 0.00288821/step, 3.63145 hours remaining, 205.468750 MB of memory in use. ENERGY: 473600 742.9541 2076.2758 1952.1624 114.7656 -206386.0613 17906.9559 0.0000 0.0000 34341.4630 -149251.4845 299.9125 -183592.9475 -149153.0536 299.6833 -114.1884 -85.1369 559424.9056 -2.2722 -2.3627 PRESSURE: 473800 -41.7158 -113.259 -94.4666 -113.258 85.1344 27.399 -94.4666 27.3994 -194.889 GPRESSURE: 473800 -12.8216 -117.144 -158.932 -133.903 128.042 -39.9742 -99.2671 -7.69484 -177.172 PRESSAVG: 473800 31.3586 21.3661 -21.8058 21.366 19.8004 47.6088 -21.8059 47.6088 -30.0362 GPRESSAVG: 473800 32.3372 24.8241 -20.8362 18.5307 20.3299 47.8585 -22.6039 48.8193 -31.187 TIMING: 473800 CPU: 1376.18, 0.00289448/step Wall: 1376.18, 0.00289448/step, 3.63916 hours remaining, 205.468750 MB of memory in use. ENERGY: 473800 695.6682 2059.8639 1987.0895 116.2544 -205993.7472 17651.5368 0.0000 0.0000 34256.7189 -149226.6155 299.1724 -183483.3344 -149127.3483 299.5401 -50.4900 -20.6505 558088.1871 7.0409 7.1600 PRESSURE: 474000 166.155 215.351 4.58565 215.351 162.186 -161.43 4.5858 -161.429 70.0468 GPRESSURE: 474000 109.976 215.97 64.4286 225.809 218.645 -159.824 -6.12487 -103.733 160.112 PRESSAVG: 474000 -8.18838 10.8335 -49.3485 10.8335 33.8705 12.5188 -49.3485 12.5187 -49.7685 GPRESSAVG: 474000 -8.33323 9.35835 -50.9472 12.784 33.5424 11.4584 -49.1331 12.9063 -49.4886 TIMING: 474000 CPU: 1376.76, 0.00287812/step Wall: 1376.76, 0.00287812/step, 3.61844 hours remaining, 205.468750 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: 474000 742.2135 2120.9543 1961.6868 127.6993 -206314.6985 17898.9633 0.0000 0.0000 34306.3428 -149156.8384 299.6058 -183463.1812 -149062.3296 299.6074 132.7959 162.9110 556780.7848 -8.0288 -8.0931 PRESSURE: 474200 -142.711 -155.121 -53.6715 -155.122 131.231 -135.793 -53.6713 -135.791 -178.115 GPRESSURE: 474200 -63.2253 -109.458 -110.042 -178.465 133.287 -99.9623 -62.5432 -141.986 -181.168 PRESSAVG: 474200 19.9426 -29.1547 -12.359 -29.1547 -36.2003 22.0421 -12.3592 22.0421 -17.2493 GPRESSAVG: 474200 19.5432 -29.1793 -11.6643 -29.3299 -36.3994 23.9212 -11.5512 24.6155 -16.4109 TIMING: 474200 CPU: 1377.34, 0.00289544/step Wall: 1377.34, 0.00289544/step, 3.64005 hours remaining, 205.468750 MB of memory in use. ENERGY: 474200 797.2449 2107.1081 1995.5378 125.5871 -206215.1103 17869.6081 0.0000 0.0000 34213.8522 -149106.1721 298.7981 -183320.0243 -149015.3946 299.7070 -63.1984 -37.0353 556527.3704 -11.1690 -11.0890 PRESSURE: 474400 -327.778 16.9547 61.7779 16.9546 89.798 187.729 61.778 187.73 -128.552 GPRESSURE: 474400 -292.195 -56.7493 93.4237 29.7118 58.1012 201.262 126.96 155.646 -58.6978 PRESSAVG: 474400 -6.19142 55.6958 -6.82047 55.6959 9.58322 40.0669 -6.82052 40.067 -2.18927 GPRESSAVG: 474400 -4.2969 55.4434 -8.75253 57.103 8.6252 39.0582 -6.47676 38.034 -2.81139 TIMING: 474400 CPU: 1377.92, 0.00289641/step Wall: 1377.92, 0.00289641/step, 3.64111 hours remaining, 205.468750 MB of memory in use. ENERGY: 474400 718.0464 2057.2994 1954.9360 107.7902 -205995.2816 17686.3723 0.0000 0.0000 34343.1352 -149127.7021 299.9271 -183470.8373 -149033.0895 298.9044 -122.1772 -97.5972 556871.8066 0.4008 0.5056 PRESSURE: 474600 8.35719 -132.216 -38.9903 -132.217 391.061 -15.8287 -38.99 -15.8296 -268.455 GPRESSURE: 474600 1.53621 -3.05078 -102.708 -212.248 472.739 5.00403 81.9126 16.1168 -261.457 PRESSAVG: 474600 27.5405 52.491 7.51938 52.4911 20.5817 -14.3614 7.51933 -14.3614 -14.0244 GPRESSAVG: 474600 25.8638 55.166 10.3389 49.7078 21.1281 -15.3601 5.82206 -13.9037 -13.3605 TIMING: 474600 CPU: 1378.5, 0.00290448/step Wall: 1378.5, 0.00290448/step, 3.6511 hours remaining, 205.535156 MB of memory in use. ENERGY: 474600 743.7302 2044.4069 1969.7819 112.6617 -206413.4738 18036.8940 0.0000 0.0000 34305.3630 -149200.6362 299.5973 -183505.9992 -149098.6487 299.1839 43.6542 70.9396 557404.1899 11.3659 11.2105 PRESSURE: 474800 6.55617 -25.5806 139.892 -25.5796 -159.024 -4.02444 139.892 -4.02513 34.2602 GPRESSURE: 474800 37.0532 -45.6778 51.8056 10.9015 -110.451 81.494 158.856 26.2477 46.2464 PRESSAVG: 474800 9.37599 28.4226 18.4111 28.4226 48.9125 -7.91596 18.4112 -7.91583 -13.6439 GPRESSAVG: 474800 7.84093 26.4051 18.3778 30.737 50.4122 -5.85799 19.6948 -9.87571 -13.4837 TIMING: 474800 CPU: 1379.08, 0.00290225/step Wall: 1379.08, 0.00290225/step, 3.64812 hours remaining, 205.535156 MB of memory in use. ENERGY: 474800 768.5233 2082.7728 1976.1342 117.8309 -206459.0234 17869.0070 0.0000 0.0000 34325.8748 -149318.8804 299.7764 -183644.7552 -149223.7296 300.0091 -39.4027 -9.0506 557154.1028 14.8815 14.9232 PRESSURE: 475000 17.0161 -93.3597 72.6855 -93.358 -76.6727 -150.957 72.6856 -150.957 103.58 GPRESSURE: 475000 2.92862 -51.3344 32.0283 -204.069 -25.2239 -170.458 11.4835 -194.226 160.596 PRESSAVG: 475000 0.894199 10.9269 17.3426 10.9269 12.0339 -19.9576 17.3425 -19.9577 -8.81476 GPRESSAVG: 475000 3.35211 9.11643 17.8463 9.26048 10.2909 -20.3992 17.9037 -19.2644 -9.48227 TIMING: 475000 CPU: 1379.66, 0.00289663/step Wall: 1379.66, 0.00289663/step, 3.6409 hours remaining, 205.535156 MB of memory in use. ENERGY: 475000 740.9712 2113.3573 1965.4733 115.2763 -206522.3007 17913.7278 0.0000 0.0000 34364.6135 -149308.8813 300.1147 -183673.4948 -149219.2019 299.3300 14.6410 46.1003 555896.9290 1.3711 1.3869 PRESSURE: 475200 -135.807 54.1219 144.388 54.1234 -47.264 -27.8296 144.39 -27.8311 164.379 GPRESSURE: 475200 -125.068 56.9828 61.6698 38.231 -12.2781 -59.6067 68.3309 -11.2503 206.626 PRESSAVG: 475200 -28.5107 -37.9344 37.2259 -37.9343 7.11799 17.3859 37.2259 17.3858 67.844 GPRESSAVG: 475200 -30.5275 -38.1716 37.8117 -35.4747 8.84723 15.6129 35.9246 20.0715 68.0073 TIMING: 475200 CPU: 1380.24, 0.00289271/step Wall: 1380.24, 0.00289271/step, 3.63581 hours remaining, 205.535156 MB of memory in use. ENERGY: 475200 740.5149 2091.4286 1970.1053 102.4209 -206442.4846 17942.6305 0.0000 0.0000 34202.5649 -149392.8194 298.6995 -183595.3842 -149294.1225 299.2531 -6.2309 23.0932 557634.5396 15.4838 15.4424 PRESSURE: 475400 127.675 133.407 -26.4856 133.408 72.0797 10.8612 -26.4864 10.8613 179.854 GPRESSURE: 475400 129.894 216.543 14.2978 60.2425 95.1427 -48.395 12.6293 58.002 253.403 PRESSAVG: 475400 -54.1857 2.23337 29.1853 2.23345 -3.47151 -31.4864 29.1853 -31.4864 11.7441 GPRESSAVG: 475400 -53.808 4.84574 29.0143 -0.657924 -4.10001 -32.5435 30.4078 -32.4216 11.8229 TIMING: 475400 CPU: 1380.81, 0.00289335/step Wall: 1380.81, 0.00289335/step, 3.63646 hours remaining, 205.535156 MB of memory in use. ENERGY: 475400 754.0733 2081.3442 1958.4973 114.6502 -206762.3343 18019.7275 0.0000 0.0000 34274.9531 -149559.0887 299.3317 -183834.0419 -149464.2510 298.8040 126.5362 159.4800 555429.9366 -15.3044 -15.3617 PRESSURE: 475600 97.1272 -280.095 14.6641 -280.097 -157.25 57.0068 14.6633 57.0076 277.173 GPRESSURE: 475600 112.646 -252.384 27.7161 -358.95 -85.868 117.405 -72.7614 46.2319 284.427 PRESSAVG: 475600 52.6079 16.2303 19.6796 16.2303 -29.9518 -15.0779 19.6797 -15.0779 37.7805 GPRESSAVG: 475600 53.8533 16.3757 17.8028 17.5426 -30.7503 -12.9895 17.7666 -14.4994 37.2132 TIMING: 475600 CPU: 1381.4, 0.00292464/step Wall: 1381.4, 0.00292464/step, 3.67563 hours remaining, 205.535156 MB of memory in use. ENERGY: 475600 769.9531 2060.5837 1972.3691 127.8574 -206396.2231 17939.7473 0.0000 0.0000 34109.7357 -149415.9769 297.8888 -183525.7126 -149322.7882 298.0691 72.3502 103.7351 557528.9931 20.1455 20.1054 PRESSURE: 475800 -121.661 21.9955 -6.63153 21.9946 -242.673 -31.1152 -6.63158 -31.1143 108.023 GPRESSURE: 475800 -116.965 -18.31 15.4048 104.007 -192.567 -44.143 -19.7355 -31.4372 154.729 PRESSAVG: 475800 -6.37056 31.1449 20.9235 31.1448 -22.9125 0.475951 20.9235 0.476097 29.4572 GPRESSAVG: 475800 -6.12482 28.7945 23.3553 32.2796 -21.9059 0.647096 21.8983 -1.79382 29.2514 TIMING: 475800 CPU: 1381.98, 0.0029014/step Wall: 1381.98, 0.0029014/step, 3.64625 hours remaining, 205.535156 MB of memory in use. ENERGY: 475800 763.9422 2122.1319 1971.1295 114.1166 -206085.9644 17880.5823 0.0000 0.0000 33974.6404 -149259.4217 296.7090 -183234.0620 -149169.3562 298.5440 -85.4371 -51.6007 558438.2733 0.0580 0.4069 PRESSURE: 476000 -88.6588 -50.5107 22.4341 -50.5099 94.2773 -42.0895 22.4349 -42.0893 164.588 GPRESSURE: 476000 -35.0476 -13.0909 65.4878 -41.2493 118.734 -25.2655 3.37319 -62.673 179.698 PRESSAVG: 476000 -39.5233 24.7963 11.1472 24.7963 -47.3045 -48.976 11.1473 -48.9761 32.8209 GPRESSAVG: 476000 -40.7511 26.5839 10.6457 23.8908 -47.688 -48.4728 11.3345 -47.4236 34.3084 TIMING: 476000 CPU: 1382.56, 0.00287547/step Wall: 1382.56, 0.00287547/step, 3.6135 hours remaining, 205.535156 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: 476000 766.6551 2061.0060 1969.1040 118.0707 -206318.7917 17889.5531 0.0000 0.0000 34176.7366 -149337.6663 298.4739 -183514.4028 -149237.0425 299.4602 56.7355 87.7947 556584.6423 -18.0023 -18.0436 PRESSURE: 476200 109.053 -60.8257 -59.1932 -60.8259 97.5165 -97.2126 -59.1939 -97.2132 -144.173 GPRESSURE: 476200 153.85 -141.924 22.3707 -4.36499 102.895 -56.3888 -101.73 -158.448 -108.249 PRESSAVG: 476200 -0.044205 -32.8386 15.0558 -32.8386 -34.5312 -47.7903 15.0558 -47.7904 22.1097 GPRESSAVG: 476200 1.47205 -33.4758 14.1429 -33.6188 -35.3092 -48.4262 15.4517 -48.1734 21.33 TIMING: 476200 CPU: 1383.13, 0.00289422/step Wall: 1383.13, 0.00289422/step, 3.63691 hours remaining, 205.535156 MB of memory in use. ENERGY: 476200 756.4930 2097.1992 1962.6666 126.7818 -206526.3022 17980.8287 0.0000 0.0000 34296.1409 -149306.1920 299.5167 -183602.3329 -149200.7920 298.4171 20.7988 49.4988 556975.7479 -4.1553 -4.1690 LDB: ============= START OF LOAD BALANCING ============== 1386.6 LDB: ============== END OF LOAD BALANCING =============== 1386.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1386.6 LDB: ============= START OF LOAD BALANCING ============== 1386.89 LDB: Largest compute 4820 load 0.027134 is 23.1% of average load 0.117515 LDB: Average compute 0.001718 is 1.5% of average load 0.117515 LDB: TIME 1386.89 LOAD: AVG 0.117515 MAX 0.175256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.59 MB LDB: TIME 1386.89 LOAD: AVG 0.117515 MAX 0.175256 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.793 MB LDB: TIME 1386.89 LOAD: AVG 0.117515 MAX 0.175256 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.793 MB LDB: ============== END OF LOAD BALANCING =============== 1386.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1386.9 PRESSURE: 476400 36.857 10.9058 -132.893 10.907 -31.3822 65.5322 -132.894 65.5307 171.719 GPRESSURE: 476400 49.0379 14.9326 -51.9059 75.2039 28.3154 36.4556 -122.63 118.215 200.078 PRESSAVG: 476400 20.2377 13.3935 -14.003 13.3934 25.2999 62.3248 -14.0031 62.3246 9.4738 GPRESSAVG: 476400 19.8695 14.4949 -13.1921 13.3138 25.8054 62.4663 -15.5488 62.1795 9.33941 TIMING: 476400 CPU: 1383.72, 0.0029368/step Wall: 1383.72, 0.0029368/step, 3.69025 hours remaining, 205.132812 MB of memory in use. ENERGY: 476400 719.3076 2095.1220 1978.5200 119.9094 -206254.6881 17901.1834 0.0000 0.0000 34267.7687 -149172.8769 299.2689 -183440.6456 -149072.1847 299.3777 59.0647 92.4770 558142.4649 18.3371 18.3381 PRESSURE: 476600 -185.212 120.721 -125.272 120.721 -79.3428 -114.111 -125.273 -114.111 -92.446 GPRESSURE: 476600 -137.888 99.6454 -129.771 195.911 -53.0115 -113.709 -91.7305 -148.524 -68.5809 PRESSAVG: 476600 -46.5056 -5.99433 -18.2835 -5.99431 22.2124 23.3332 -18.2835 23.3332 15.1914 GPRESSAVG: 476600 -46.3902 -5.9569 -18.7789 -5.92238 21.6891 22.6439 -16.4434 22.8476 15.5199 TIMING: 476600 CPU: 1384.3, 0.00288882/step Wall: 1384.3, 0.00288882/step, 3.6298 hours remaining, 205.335938 MB of memory in use. ENERGY: 476600 744.1493 2085.1544 1950.0807 115.2820 -206165.7115 17849.5843 0.0000 0.0000 34104.6642 -149316.7967 297.8445 -183421.4609 -149213.6368 298.2566 -119.0004 -86.4933 558807.9438 -3.0339 -3.0604 PRESSURE: 476800 -144.594 90.7607 10.6711 90.7616 -18.3507 26.0237 10.6701 26.0243 -101.984 GPRESSURE: 476800 -167.729 47.7736 -131.037 61.8962 55.2049 57.1183 53.7959 -33.1411 -71.8158 PRESSAVG: 476800 -38.1472 32.3842 -53.7767 32.3843 89.2415 -4.61651 -53.7767 -4.61656 -38.2132 GPRESSAVG: 476800 -38.2569 30.5336 -53.856 34.0604 89.301 -4.94213 -53.5285 -4.07012 -37.9356 TIMING: 476800 CPU: 1384.87, 0.00287008/step Wall: 1384.87, 0.00287008/step, 3.6061 hours remaining, 205.335938 MB of memory in use. ENERGY: 476800 730.3734 2087.2451 1983.5074 115.0670 -206270.1175 17801.2066 0.0000 0.0000 34250.2040 -149302.5141 299.1156 -183552.7181 -149200.4394 298.8324 -88.3094 -61.4467 558839.2366 4.2937 4.3695 PRESSURE: 477000 -65.4649 18.5358 61.1427 18.5358 -104.829 -10.4912 61.1412 -10.4914 135.317 GPRESSURE: 477000 0.684275 -43.7996 61.4499 -16.9568 -95.326 17.4908 -58.0274 -25.4286 149.695 PRESSAVG: 477000 -9.59889 54.7298 9.34004 54.7298 14.5917 18.9596 9.34012 18.9596 27.1943 GPRESSAVG: 477000 -9.62812 55.9007 9.72961 54.598 13.9825 19.8929 8.89568 18.3609 28.2416 TIMING: 477000 CPU: 1385.45, 0.00288013/step Wall: 1385.45, 0.00288013/step, 3.61856 hours remaining, 205.335938 MB of memory in use. ENERGY: 477000 757.8773 2127.0680 1964.3731 128.8790 -206247.7361 17793.1453 0.0000 0.0000 34261.0930 -149215.3003 299.2106 -183476.3934 -149116.1648 299.6185 -11.6589 18.3510 557735.6763 10.7290 10.8653 PRESSURE: 477200 -54.9881 153.237 194.615 153.236 67.2815 116.874 194.614 116.875 -53.0851 GPRESSURE: 477200 -55.5791 24.1501 126.004 176.695 86.4297 79.8798 226.791 113.456 16.9649 PRESSAVG: 477200 76.5635 -26.572 16.3014 -26.5719 -91.4413 -2.24302 16.3014 -2.24304 25.8679 GPRESSAVG: 477200 76.2549 -26.9371 15.949 -27.1094 -91.2791 -3.21623 17.4153 -1.41998 25.8702 TIMING: 477200 CPU: 1386.03, 0.00289299/step Wall: 1386.03, 0.00289299/step, 3.63456 hours remaining, 205.335938 MB of memory in use. ENERGY: 477200 749.4942 2135.1202 1972.0731 105.9127 -206225.3267 17859.5535 0.0000 0.0000 34256.8367 -149146.3362 299.1735 -183403.1729 -149042.1068 299.1037 -13.5972 15.9385 558463.8778 3.6634 3.6153 PRESSURE: 477400 -36.0131 -81.7243 -31.8252 -81.7254 -242.262 -46.4953 -31.8243 -46.4932 -223.648 GPRESSURE: 477400 25.5737 -25.8649 -117.731 -6.47788 -208.682 -11.7082 -47.9786 -80.7692 -225.497 PRESSAVG: 477400 1.6645 8.37667 -2.50169 8.37657 3.84608 -13.5806 -2.50165 -13.5806 33.0948 GPRESSAVG: 477400 2.54112 10.8258 -3.13474 10.4157 4.14343 -11.919 -2.75395 -13.119 31.7625 TIMING: 477400 CPU: 1386.61, 0.00289969/step Wall: 1386.61, 0.00289969/step, 3.64282 hours remaining, 205.335938 MB of memory in use. ENERGY: 477400 767.3762 2138.0257 1996.6521 116.1328 -206065.2083 17706.4105 0.0000 0.0000 34168.0032 -149172.6078 298.3977 -183340.6111 -149072.7816 299.3566 -167.3075 -136.2018 559012.8279 12.8684 12.8157 PRESSURE: 477600 -146.321 28.8937 3.53959 28.8959 -18.8635 -107.018 3.53934 -107.019 183.963 GPRESSURE: 477600 -187.717 33.6468 4.12765 -103.766 80.3068 -122.665 37.5718 -35.1442 225.455 PRESSAVG: 477600 51.929 2.61476 -18.2859 2.61478 -27.1222 -36.6375 -18.2858 -36.6373 -20.7351 GPRESSAVG: 477600 51.5198 1.43204 -16.993 -0.227563 -26.3826 -36.8924 -18.2278 -37.7805 -20.6702 TIMING: 477600 CPU: 1387.18, 0.00288248/step Wall: 1387.18, 0.00288248/step, 3.62104 hours remaining, 205.335938 MB of memory in use. ENERGY: 477600 739.0218 2157.6692 1944.1997 120.6391 -206101.3422 17889.5680 0.0000 0.0000 34049.7188 -149200.5257 297.3647 -183250.2445 -149100.1656 298.9822 6.2594 39.3484 558068.7644 1.3572 1.4890 PRESSURE: 477800 -98.4386 13.6175 -13.6539 13.6182 -224.955 124.14 -13.6541 124.142 29.6351 GPRESSURE: 477800 -26.8365 40.8902 -142.272 15.3817 -203.969 63.3291 92.8491 89.8181 37.4322 PRESSAVG: 477800 -31.2473 35.0566 -37.4304 35.0566 9.4089 36.9403 -37.4304 36.9405 17.8135 GPRESSAVG: 477800 -31.1061 36.1078 -39.2482 36.0909 8.87735 36.2109 -36.9067 36.6803 18.2883 TIMING: 477800 CPU: 1387.77, 0.00291226/step Wall: 1387.77, 0.00291226/step, 3.65828 hours remaining, 205.335938 MB of memory in use. ENERGY: 477800 726.4503 2124.6610 1992.0765 115.2595 -206024.6794 17733.0959 0.0000 0.0000 34143.2063 -149189.9299 298.1811 -183333.1361 -149093.3705 299.4579 -97.9195 -64.4577 557317.6988 -1.3416 -1.3135 PRESSURE: 478000 -4.80988 175.933 39.1313 175.931 -123.175 26.7861 39.1319 26.7878 -217.263 GPRESSURE: 478000 43.263 241.851 42.7812 254.627 -108.145 13.7017 69.91 -19.6611 -179.251 PRESSAVG: 478000 -12.9027 107.968 -0.242033 107.968 45.3564 67.2519 -0.242036 67.2519 -29.4036 GPRESSAVG: 478000 -12.9409 106.682 -0.209507 109.152 45.8313 67.2642 -1.86814 67.7291 -29.8241 TIMING: 478000 CPU: 1388.35, 0.00289886/step Wall: 1388.35, 0.00289886/step, 3.64128 hours remaining, 205.335938 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: 478000 781.4293 2123.6412 1960.5197 113.5378 -206265.5219 17809.0907 0.0000 0.0000 34293.6333 -149183.6699 299.4948 -183477.3032 -149086.1040 299.1218 -115.0827 -81.3775 558232.5743 1.0167 1.0221 PRESSURE: 478200 -65.7503 40.4756 -33.493 40.4766 17.09 -68.996 -33.493 -68.9938 -173.553 GPRESSURE: 478200 -95.1007 3.05486 -48.8559 -27.7653 32.365 -50.5648 39.7383 -82.5252 -60.4773 PRESSAVG: 478200 -23.7023 40.857 21.217 40.8569 -20.7727 4.77788 21.2171 4.77802 42.7644 GPRESSAVG: 478200 -24.4052 40.3898 20.839 40.4239 -20.3669 6.34715 21.6253 4.75063 43.2586 TIMING: 478200 CPU: 1388.92, 0.00288658/step Wall: 1388.92, 0.00288658/step, 3.6257 hours remaining, 205.335938 MB of memory in use. ENERGY: 478200 733.4789 2107.5160 1949.8102 118.8310 -205946.7640 17637.4197 0.0000 0.0000 34204.1596 -149195.5486 298.7134 -183399.7083 -149099.1675 299.5328 -74.0710 -41.0710 559038.6163 -0.5702 -0.5045 PRESSURE: 478400 -363.19 -189.736 -161.085 -189.736 -13.1233 -19.0961 -161.084 -19.0969 -58.2037 GPRESSURE: 478400 -328.914 -241.399 -227.064 -183.298 7.00154 23.8278 -45.8924 23.7434 -19.662 PRESSAVG: 478400 38.4409 -72.7392 -52.4808 -72.7393 12.6052 5.6004 -52.4808 5.60034 -49.3323 GPRESSAVG: 478400 39.4167 -72.9642 -51.7707 -71.3114 11.7852 6.30578 -52.3815 5.83184 -49.7999 TIMING: 478400 CPU: 1389.5, 0.00288996/step Wall: 1389.5, 0.00288996/step, 3.62979 hours remaining, 205.406250 MB of memory in use. ENERGY: 478400 723.6859 2095.6921 1974.8631 127.8092 -205712.6106 17400.1726 0.0000 0.0000 34287.6976 -149102.6901 299.4430 -183390.3877 -149000.0006 298.9907 -144.8389 -113.8583 557694.6490 0.5713 0.4673 PRESSURE: 478600 -94.2467 -14.6852 -110.894 -14.6847 -111.896 71.2066 -110.894 71.2058 -275.846 GPRESSURE: 478600 -67.0163 -30.4812 -78.8951 -116.53 -81.9981 -60.4528 -104.623 148.315 -244.478 PRESSAVG: 478600 18.8076 52.7077 -30.2456 52.7076 10.9255 8.36165 -30.2456 8.36176 -35.3929 GPRESSAVG: 478600 18.4516 53.3806 -28.9229 50.6263 11.9028 6.03339 -30.9274 8.16376 -35.6918 TIMING: 478600 CPU: 1390.08, 0.00290721/step Wall: 1390.08, 0.00290721/step, 3.6513 hours remaining, 205.406250 MB of memory in use. ENERGY: 478600 734.3035 2145.8027 1964.8675 118.1389 -205502.8342 17525.9905 0.0000 0.0000 34129.1847 -148884.5464 298.0587 -183013.7311 -148788.7097 298.8890 -160.6630 -131.1640 558584.1472 -1.8866 -1.7791 PRESSURE: 478800 -9.96811 -140.611 89.1272 -140.611 -78.2802 -184.412 89.1265 -184.411 -100.195 GPRESSURE: 478800 1.02815 -73.9216 55.8616 -172.021 -12.0074 -208.813 99.9663 -170.665 -84.5974 PRESSAVG: 478800 -34.8197 69.7883 -10.3374 69.7882 46.1057 -0.522593 -10.3374 -0.522671 -8.97115 GPRESSAVG: 478800 -33.9721 69.6642 -12.4369 69.5267 45.6372 1.66683 -10.6444 -0.125799 -9.55679 TIMING: 478800 CPU: 1390.66, 0.00287812/step Wall: 1390.66, 0.00287812/step, 3.6146 hours remaining, 205.406250 MB of memory in use. ENERGY: 478800 766.3364 2124.2257 1972.9755 109.3020 -205394.5586 17554.1349 0.0000 0.0000 34063.5701 -148804.0140 297.4856 -182867.5841 -148701.4986 299.0106 -62.8146 -31.8589 557844.2886 0.7716 0.7028 PRESSURE: 479000 228.396 53.9207 -110.001 53.9224 110.788 64.0527 -110 64.0543 138.634 GPRESSURE: 479000 286.212 29.2595 -115.945 11.1256 134.969 106.033 -119.512 49.1551 140.834 PRESSAVG: 479000 49.074 77.4158 5.4216 77.4158 45.3913 -13.0516 5.42162 -13.0516 -102.252 GPRESSAVG: 479000 48.9036 78.6405 6.34423 76.3354 45.1232 -13.5718 6.64572 -14.7637 -101.795 TIMING: 479000 CPU: 1391.24, 0.00288987/step Wall: 1391.24, 0.00288987/step, 3.6292 hours remaining, 205.406250 MB of memory in use. ENERGY: 479000 719.7650 2086.1764 1962.5755 118.9495 -205651.7967 17861.7897 0.0000 0.0000 34120.7352 -148781.8053 297.9849 -182902.5405 -148686.6937 299.7268 159.2726 187.3381 559135.9611 -2.5954 -2.5894 PRESSURE: 479200 -126.934 -78.6561 33.1132 -78.6578 -166.83 40.3242 33.1128 40.3254 -35.6319 GPRESSURE: 479200 -51.7658 -35.4073 0.234357 -76.0112 -121.898 92.4381 103.064 9.21094 -54.2736 PRESSAVG: 479200 19.0305 7.13571 49.3289 7.13573 4.05375 5.208 49.3289 5.20804 -18.6605 GPRESSAVG: 479200 19.0876 4.94425 50.7384 10.1644 4.0364 5.33732 48.4648 4.7033 -18.2579 TIMING: 479200 CPU: 1391.82, 0.00290127/step Wall: 1391.82, 0.00290127/step, 3.64335 hours remaining, 205.406250 MB of memory in use. ENERGY: 479200 738.8199 2086.4638 1983.9747 127.9017 -205363.5171 17454.7684 0.0000 0.0000 34276.1883 -148695.4004 299.3425 -182971.5886 -148599.1571 300.3220 -109.7988 -75.9791 558832.2854 1.4746 1.6220 PRESSURE: 479400 90.655 104.32 89.0545 104.32 376.792 -126.502 89.0548 -126.501 -24.1152 GPRESSURE: 479400 99.2957 57.0438 82.1222 73.7583 402.565 -137.376 -14.7429 -63.5763 33.785 PRESSAVG: 479400 -19.0571 -34.2487 32.9333 -34.2488 52.2952 37.0795 32.9332 37.0796 -32.8595 GPRESSAVG: 479400 -19.9116 -34.1703 30.0478 -36.1302 52.9113 35.3596 33.0937 41.3001 -32.9188 TIMING: 479400 CPU: 1392.39, 0.00288485/step Wall: 1392.39, 0.00288485/step, 3.62257 hours remaining, 205.406250 MB of memory in use. ENERGY: 479400 750.7291 2071.5406 1989.2816 108.3779 -206286.8995 18059.8958 0.0000 0.0000 34519.0610 -148788.0135 301.4635 -183307.0744 -148689.5517 299.9222 147.7774 178.5486 558227.9665 0.1262 0.0270 PRESSURE: 479600 96.6406 -111.842 117.165 -111.841 53.9699 6.72941 117.165 6.72988 110.022 GPRESSURE: 479600 142.48 -106.283 71.9745 -88.2214 126.736 -69.7578 137.188 9.96093 83.897 PRESSAVG: 479600 -43.8907 59.3279 -14.4419 59.3279 20.4212 1.97713 -14.442 1.97722 2.77348 GPRESSAVG: 479600 -44.6377 60.3528 -13.9216 58.5448 21.227 0.739796 -15.2476 1.68744 3.08193 TIMING: 479600 CPU: 1392.97, 0.00287444/step Wall: 1392.97, 0.00287444/step, 3.60934 hours remaining, 205.406250 MB of memory in use. ENERGY: 479600 700.4819 2095.1594 1947.2777 120.1888 -205968.4013 17932.6297 0.0000 0.0000 34299.9134 -148872.7503 299.5497 -183172.6637 -148769.6377 300.2171 86.8776 117.7044 559677.3342 -6.8987 -6.7763 PRESSURE: 479800 121.605 190.892 58.216 190.893 -239.501 -67.7547 58.2159 -67.755 175.896 GPRESSURE: 479800 116.564 242.93 31.1743 62.0155 -167.704 -108.171 60.7471 -70.9909 204.034 PRESSAVG: 479800 5.75539 32.3866 20.5358 32.3866 -55.6267 -13.6908 20.5358 -13.6907 50.048 GPRESSAVG: 479800 5.76466 30.0582 21.2188 35.9836 -54.9826 -11.5984 22.0856 -15.0385 50.0242 TIMING: 479800 CPU: 1393.54, 0.00286285/step Wall: 1393.54, 0.00286285/step, 3.59463 hours remaining, 205.406250 MB of memory in use. ENERGY: 479800 742.4461 2123.1308 1956.7218 115.1749 -205845.1718 17899.1810 0.0000 0.0000 34300.9090 -148707.6081 299.5584 -183008.5172 -148612.8641 300.1817 19.3335 50.9646 560526.5284 0.0589 0.2687 PRESSURE: 480000 127.244 64.0473 46.7553 64.0469 -26.0315 -203.102 46.7548 -203.101 11.7171 GPRESSURE: 480000 193.527 11.1984 185.994 159.197 7.59051 -145.431 -0.289005 -183.663 5.23569 PRESSAVG: 480000 28.3796 -5.89205 -4.37363 -5.89212 -47.8506 -41.3661 -4.37362 -41.366 21.648 GPRESSAVG: 480000 29.4686 -5.36253 -4.35713 -7.74299 -48.8687 -41.6608 -3.54711 -41.4205 21.4825 TIMING: 480000 CPU: 1394.12, 0.00288897/step Wall: 1394.12, 0.00288897/step, 3.62726 hours remaining, 205.406250 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: 480000 742.9868 2073.0148 1975.7493 104.9278 -206092.6162 17904.1721 0.0000 0.0000 34458.8002 -148832.9652 300.9373 -183291.7654 -148732.9569 300.1849 37.6433 68.7845 559669.1158 0.7256 0.6941 PRESSURE: 480200 123.637 131.125 68.0388 131.125 -195.685 83.3768 68.04 83.3778 45.7889 GPRESSURE: 480200 146.562 134.198 36.723 108.738 -178.481 84.1782 -24.0989 -3.0157 84.3199 PRESSAVG: 480200 22.5901 -26.3123 -8.19425 -26.3123 -13.0901 -10.0488 -8.19426 -10.0488 30.3607 GPRESSAVG: 480200 23.121 -25.1918 -9.02055 -26.3282 -14.8692 -8.40602 -8.50597 -11.6387 31.4542 TIMING: 480200 CPU: 1394.7, 0.0028912/step Wall: 1394.7, 0.0028912/step, 3.6299 hours remaining, 205.406250 MB of memory in use. ENERGY: 480200 777.0662 2042.7918 1971.6577 109.1431 -206132.3305 17926.8143 0.0000 0.0000 34346.2341 -148958.6233 299.9542 -183304.8573 -148866.5329 300.0647 -8.7528 17.4670 559315.9790 13.2869 13.2353 LDB: ============= START OF LOAD BALANCING ============== 1398.16 LDB: ============== END OF LOAD BALANCING =============== 1398.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1398.17 LDB: ============= START OF LOAD BALANCING ============== 1398.45 LDB: Largest compute 4820 load 0.029257 is 24.9% of average load 0.117523 LDB: Average compute 0.001726 is 1.5% of average load 0.117523 LDB: TIME 1398.46 LOAD: AVG 0.117523 MAX 0.176378 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.258 MB LDB: TIME 1398.46 LOAD: AVG 0.117523 MAX 0.176378 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: TIME 1398.46 LOAD: AVG 0.117523 MAX 0.176378 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: ============== END OF LOAD BALANCING =============== 1398.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1398.46 PRESSURE: 480400 -48.3542 45.414 -55.4093 45.4149 261.751 71.1261 -55.4089 71.1262 -67.2253 GPRESSURE: 480400 -12.5206 2.27357 -32.214 36.6338 255.917 -1.95414 26.607 143.569 -5.04552 PRESSAVG: 480400 -8.68404 1.12478 -1.16556 1.12478 -4.36356 11.3995 -1.16545 11.3995 13.8185 GPRESSAVG: 480400 -10.0851 2.62555 -0.335917 0.406547 -3.9732 8.36763 -1.71756 13.1867 14.7792 TIMING: 480400 CPU: 1395.29, 0.00295047/step Wall: 1395.29, 0.00295047/step, 3.70415 hours remaining, 206.617188 MB of memory in use. ENERGY: 480400 727.3521 2073.7486 1970.9263 109.0662 -205926.6456 17723.7690 0.0000 0.0000 34280.5539 -149041.2295 299.3806 -183321.7833 -148940.6055 299.9303 48.7240 79.4503 557613.1478 0.2570 0.2403 PRESSURE: 480600 -307.448 128.011 -28.7839 128.011 -319.411 -131.631 -28.7824 -131.633 -86.3101 GPRESSURE: 480600 -310.416 82.1731 -27.1707 131.937 -267.053 -66.0316 -12.1831 -152.448 -31.5639 PRESSAVG: 480600 0.869796 -1.10959 12.6833 -1.10967 -56.1116 -9.4276 12.6833 -9.42758 23.5449 GPRESSAVG: 480600 1.14393 -3.14766 10.0805 -0.477902 -55.4459 -6.88598 14.4925 -10.3144 22.8129 TIMING: 480600 CPU: 1395.87, 0.00289206/step Wall: 1395.87, 0.00289206/step, 3.63066 hours remaining, 206.687500 MB of memory in use. ENERGY: 480600 774.3186 2123.6921 1975.3732 111.3473 -205965.0215 17588.2977 0.0000 0.0000 34317.1932 -149074.7993 299.7006 -183391.9925 -148978.7084 299.2727 -237.7231 -203.0109 560033.8196 -10.5656 -10.4964 PRESSURE: 480800 -138.663 -57.5068 -82.4487 -57.5073 -150.25 63.3889 -82.4486 63.3895 -76.9865 GPRESSURE: 480800 -133.22 -70.4368 -152.479 -136.985 -134.583 82.6129 -28.9215 -15.0722 -5.28094 PRESSAVG: 480800 -3.98733 -28.0505 6.01601 -28.0506 3.84736 -51.7479 6.0159 -51.748 2.95057 GPRESSAVG: 480800 -4.34243 -27.7497 7.49455 -28.8795 3.83479 -51.4755 6.11896 -51.5183 3.37821 TIMING: 480800 CPU: 1396.44, 0.00289067/step Wall: 1396.44, 0.00289067/step, 3.62876 hours remaining, 206.945312 MB of memory in use. ENERGY: 480800 722.1820 2129.7806 1984.3964 126.6972 -206403.0126 17801.8844 0.0000 0.0000 34388.0077 -149250.0643 300.3190 -183638.0720 -149146.8679 299.9304 -121.9665 -91.0281 558966.7265 0.9369 0.9569 PRESSURE: 481000 128.76 58.7117 -2.97541 58.7106 67.2426 -34.2054 -2.97619 -34.2044 323.609 GPRESSURE: 481000 162.191 36.1656 -80.8805 101.818 99.9988 22.3662 19.3168 -107.116 352.668 PRESSAVG: 481000 -8.16442 13.1317 5.96425 13.1316 18.6271 -24.4873 5.96424 -24.4873 -30.949 GPRESSAVG: 481000 -7.97674 14.2511 7.3831 12.7836 19.5475 -25.0359 2.20117 -22.4227 -31.9933 TIMING: 481000 CPU: 1397.03, 0.00291488/step Wall: 1397.03, 0.00291488/step, 3.65899 hours remaining, 207.011719 MB of memory in use. ENERGY: 481000 726.2757 2123.4816 1971.1225 115.9667 -206610.3401 18152.9171 0.0000 0.0000 34185.3888 -149335.1877 298.5495 -183520.5765 -149236.0732 299.0138 173.2037 204.9525 557480.1052 -6.8288 -6.8075 PRESSURE: 481200 -262.991 29.3298 -16.0518 29.3303 -216.916 -132.538 -16.0527 -132.538 -106.454 GPRESSURE: 481200 -211.486 39.8984 -50.9633 23.5714 -199.618 -127.044 50.0002 -124.588 -86.1639 PRESSAVG: 481200 14.5101 -22.2442 -7.71229 -22.2442 34.7338 -13.852 -7.71233 -13.852 -18.8427 GPRESSAVG: 481200 14.1539 -22.9319 -9.90498 -22.5477 33.4156 -11.7683 -7.29949 -16.2489 -17.1163 TIMING: 481200 CPU: 1397.61, 0.00290764/step Wall: 1397.61, 0.00290764/step, 3.64974 hours remaining, 207.011719 MB of memory in use. ENERGY: 481200 741.7167 2078.8676 1992.7034 115.4954 -205851.1459 17541.0756 0.0000 0.0000 34091.3134 -149289.9737 297.7279 -183381.2871 -149186.9396 299.1306 -195.4536 -165.7562 558054.6452 10.1338 10.1511 PRESSURE: 481400 -102.225 -54.4888 5.94502 -54.4879 -13.9238 -129.519 5.94724 -129.52 54.2825 GPRESSURE: 481400 -59.7167 46.0141 12.1952 -73.5811 57.2982 -56.545 31.7266 -174.532 34.7478 PRESSAVG: 481400 -18.8245 -0.926489 -15.7259 -0.92646 19.4367 -13.0361 -15.7258 -13.0361 -36.6776 GPRESSAVG: 481400 -18.6029 -0.760268 -15.7679 1.38031 20.3166 -15.0142 -15.2113 -10.621 -37.713 TIMING: 481400 CPU: 1398.19, 0.00292085/step Wall: 1398.19, 0.00292085/step, 3.66616 hours remaining, 207.011719 MB of memory in use. ENERGY: 481400 705.9914 2081.6195 1989.8357 118.5641 -206429.1581 17933.8282 0.0000 0.0000 34258.1398 -149341.1793 299.1849 -183599.3191 -149240.5595 298.5076 -20.6223 10.7764 558188.5590 -12.0218 -11.9998 PRESSURE: 481600 101.91 147.626 41.4757 147.626 -29.4866 -74.6057 41.4749 -74.6058 119.504 GPRESSURE: 481600 111.252 128.861 92.4613 110.892 -19.0716 38.184 11.8571 -54.3561 193.649 PRESSAVG: 481600 29.5119 5.41602 -26.6236 5.41593 74.6071 -20.8212 -26.6235 -20.8212 -85.8119 GPRESSAVG: 481600 31.2245 5.20526 -26.392 3.65229 74.3219 -18.8874 -25.9898 -23.2874 -87.2832 TIMING: 481600 CPU: 1398.77, 0.0029084/step Wall: 1398.77, 0.0029084/step, 3.65037 hours remaining, 207.011719 MB of memory in use. ENERGY: 481600 742.4726 2065.7460 1976.0701 113.9885 -206652.6802 18055.2933 0.0000 0.0000 34311.8750 -149387.2347 299.6541 -183699.1096 -149289.2992 298.4273 63.9757 95.2763 557298.1659 6.1024 6.0877 PRESSURE: 481800 -169.94 -76.533 43.5098 -76.5324 -225.472 78.3013 43.5096 78.3005 -122.895 GPRESSURE: 481800 -163.877 -120.397 108.859 -162.182 -143.811 135.764 -19.5054 5.76269 -118.981 PRESSAVG: 481800 12.4709 13.4747 -5.00389 13.4747 -18.583 -49.7822 -5.00397 -49.7821 -9.3658 GPRESSAVG: 481800 11.5377 13.898 -5.37752 13.2025 -19.1203 -51.827 -4.75973 -49.6878 -8.34886 TIMING: 481800 CPU: 1399.36, 0.00290948/step Wall: 1399.36, 0.00290948/step, 3.65156 hours remaining, 207.078125 MB of memory in use. ENERGY: 481800 764.4454 2152.7115 1961.1900 114.8179 -206232.4862 17661.3507 0.0000 0.0000 34224.2253 -149353.7454 298.8887 -183577.9707 -149255.6720 298.8233 -172.7691 -142.2231 557409.3259 -5.1593 -5.3105 PRESSURE: 482000 -380.603 54.5314 0.956445 54.53 -2.49767 148.668 0.956021 148.668 -412.929 GPRESSURE: 482000 -317.812 40.4839 104.285 134.985 24.2222 31.9434 -72.184 171.258 -409.881 PRESSAVG: 482000 -1.03891 12.4968 -7.15829 12.4968 -1.13464 2.22774 -7.15827 2.2276 -36.0569 GPRESSAVG: 482000 -0.501478 10.8084 -6.39118 13.5303 -0.202176 0.91593 -9.01676 3.90084 -37.527 TIMING: 482000 CPU: 1399.93, 0.00289037/step Wall: 1399.93, 0.00289037/step, 3.62741 hours remaining, 207.078125 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: 482000 783.0750 2119.5770 1971.7778 109.3094 -206577.0457 17782.2426 0.0000 0.0000 34185.7154 -149625.3485 298.5524 -183811.0639 -149531.6035 298.2145 -265.3434 -234.4903 559166.2729 -12.7435 -12.7436 PRESSURE: 482200 200.813 -26.6291 -190.847 -26.629 181.518 -107.931 -190.847 -107.931 -39.155 GPRESSURE: 482200 166.061 -74.8253 -48.0406 107.952 238.12 -46.6202 -163.334 -85.5212 30.0777 PRESSAVG: 482200 18.4571 24.434 -7.90364 24.4338 41.0049 6.1567 -7.90368 6.15668 -15.8654 GPRESSAVG: 482200 16.9708 26.7782 -6.97115 22.7786 41.0618 7.93213 -7.80178 5.83233 -14.7035 TIMING: 482200 CPU: 1400.51, 0.00288581/step Wall: 1400.51, 0.00288581/step, 3.62153 hours remaining, 207.078125 MB of memory in use. ENERGY: 482200 737.6065 2169.1370 1978.4861 113.5799 -207072.7154 18165.8045 0.0000 0.0000 34323.6764 -149584.4249 299.7572 -183908.1013 -149491.0606 298.0246 114.3920 144.7531 557272.4805 14.5322 14.4430 PRESSURE: 482400 27.0832 -58.3353 99.5399 -58.3347 115.158 63.0874 99.5387 63.0845 -38.4395 GPRESSURE: 482400 58.2759 -6.25988 147.866 -75.7181 123.96 86.0637 133.343 78.2566 17.5926 PRESSAVG: 482400 26.4558 -50.6215 -18.5413 -50.6215 14.1933 15.0889 -18.5414 15.0889 -75.2808 GPRESSAVG: 482400 26.377 -52.2285 -17.7167 -50.2323 15.2351 16.485 -17.7457 14.8463 -76.0216 TIMING: 482400 CPU: 1401.09, 0.00289224/step Wall: 1401.09, 0.00289224/step, 3.62944 hours remaining, 207.078125 MB of memory in use. ENERGY: 482400 714.0495 2062.8682 1997.8610 123.2374 -206799.0775 18003.4356 0.0000 0.0000 34251.5540 -149646.0718 299.1273 -183897.6258 -149545.7062 298.3266 34.6006 66.6096 557337.1019 -11.5439 -11.4698 PRESSURE: 482600 64.6724 9.25435 -57.1167 9.25374 -15.9984 43.9606 -57.1159 43.9614 -36.5974 GPRESSURE: 482600 93.0443 -14.0499 -99.0641 45.6798 -18.2759 129.198 -51.5588 -22.3325 27.7449 PRESSAVG: 482600 30.7872 -4.17471 24.1562 -4.17469 4.17574 50.4546 24.1563 50.4546 -20.0533 GPRESSAVG: 482600 31.8028 -2.9506 22.0168 -6.92691 2.12236 48.2733 24.7306 51.4302 -18.3466 TIMING: 482600 CPU: 1401.67, 0.00288447/step Wall: 1401.67, 0.00288447/step, 3.61952 hours remaining, 207.078125 MB of memory in use. ENERGY: 482600 746.8274 2102.2887 1994.2536 105.9775 -206614.3087 17923.7851 0.0000 0.0000 34271.0121 -149470.1643 299.2973 -183741.1764 -149375.0104 298.1989 4.0255 34.1711 556367.5396 4.9699 5.1929 PRESSURE: 482800 -297.96 -91.1414 59.3533 -91.142 244.825 -11.7922 59.3542 -11.7922 20.068 GPRESSURE: 482800 -289.979 -98.4103 116.407 -62.2167 227.935 26.9082 37.0913 -39.7296 117.153 PRESSAVG: 482800 -21.8551 36.8347 -24.7892 36.8347 26.8528 22.1136 -24.7892 22.1135 13.7913 GPRESSAVG: 482800 -22.2436 35.5575 -22.1043 41.4286 27.0959 24.3852 -28.0457 21.1653 13.7902 TIMING: 482800 CPU: 1402.24, 0.0028638/step Wall: 1402.24, 0.0028638/step, 3.59343 hours remaining, 207.078125 MB of memory in use. ENERGY: 482800 733.4822 2063.5745 1969.6685 113.4513 -206338.0790 17748.6177 0.0000 0.0000 34176.8061 -149532.4787 298.4745 -183709.2848 -149427.1847 298.2237 -11.0226 18.3697 556181.8684 6.2630 6.2142 PRESSURE: 483000 -159.243 25.6707 -159.66 25.6709 -254.01 -126.718 -159.66 -126.718 16.3801 GPRESSURE: 483000 -155.919 -48.1277 -87.756 -30.8313 -227.829 -137.151 -151.26 -124.411 84.2617 PRESSAVG: 483000 0.691763 -4.80555 4.8927 -4.80557 45.2869 -62.6781 4.89274 -62.678 -31.0697 GPRESSAVG: 483000 1.83663 -3.8825 0.67371 -4.58756 44.8419 -64.3087 8.32867 -61.0307 -31.6774 TIMING: 483000 CPU: 1402.81, 0.00287109/step Wall: 1402.81, 0.00287109/step, 3.60242 hours remaining, 207.078125 MB of memory in use. ENERGY: 483000 765.6692 2078.4881 1993.5103 119.4073 -206374.0088 17787.8946 0.0000 0.0000 34252.8650 -149376.1744 299.1388 -183629.0394 -149282.5522 298.8521 -132.2910 -99.8287 559149.0422 4.9697 5.0004 PRESSURE: 483200 5.17306 65.9094 55.9352 65.9083 277.256 30.8326 55.9351 30.832 9.55767 GPRESSURE: 483200 22.5417 -5.20266 69.7442 64.9783 291.95 80.341 -1.69664 70.5695 74.8392 PRESSAVG: 483200 -53.1408 10.2236 -3.89991 10.2236 7.33011 -0.933898 -3.8998 -0.933995 46.784 GPRESSAVG: 483200 -54.0053 12.5773 -3.29922 7.10892 8.4756 0.637169 -4.17677 -3.69916 46.4586 TIMING: 483200 CPU: 1403.39, 0.00288429/step Wall: 1403.39, 0.00288429/step, 3.61883 hours remaining, 207.078125 MB of memory in use. ENERGY: 483200 707.1308 2129.3150 1971.7559 116.5980 -206788.4345 18126.4574 0.0000 0.0000 34226.9707 -149510.2067 298.9126 -183737.1773 -149417.0502 298.7999 97.3289 129.7769 556861.3006 0.3244 0.3096 PRESSURE: 483400 -325.391 -9.347 13.6634 -9.34579 -132.131 3.4412 13.6637 3.44122 -199.361 GPRESSURE: 483400 -321.613 -33.7891 -33.8407 -14.6864 -102.787 -34.4752 1.86579 13.7103 -135.027 PRESSAVG: 483400 -94.3191 27.5475 -16.5671 27.5476 42.7405 -27.1554 -16.5671 -27.1553 55.1017 GPRESSAVG: 483400 -94.398 25.1674 -16.118 28.9141 41.4892 -27.537 -15.4806 -24.4459 56.3883 TIMING: 483400 CPU: 1403.97, 0.00287478/step Wall: 1403.97, 0.00287478/step, 3.60673 hours remaining, 207.078125 MB of memory in use. ENERGY: 483400 770.7866 2088.1127 1981.5855 109.6860 -206051.8969 17590.2091 0.0000 0.0000 34090.3659 -149421.1512 297.7196 -183511.5171 -149328.9689 298.4424 -218.9609 -186.4756 558683.0975 1.1744 1.1598 PRESSURE: 483600 -218.76 23.8815 68.5105 23.8804 -261.159 -167.718 68.5113 -167.718 -149.534 GPRESSURE: 483600 -246.746 43.2274 20.2924 -0.0150362 -212.616 -35.8422 122.617 -273.198 -88.3082 PRESSAVG: 483600 -28.6521 21.9673 34.257 21.9673 60.3973 -54.6685 34.257 -54.6684 12.8466 GPRESSAVG: 483600 -28.3227 21.0338 33.6258 21.2006 60.6865 -52.9539 32.0339 -57.2418 11.9664 TIMING: 483600 CPU: 1404.54, 0.00287077/step Wall: 1404.54, 0.00287078/step, 3.60155 hours remaining, 207.078125 MB of memory in use. ENERGY: 483600 723.6511 2050.7909 1958.1940 113.5299 -205690.2626 17465.4560 0.0000 0.0000 34159.4717 -149219.1691 298.3232 -183378.6408 -149119.0539 298.8709 -209.8181 -182.5565 559116.9092 14.8639 14.7767 PRESSURE: 483800 -283.958 -60.5581 -144.283 -60.5583 -92.6357 52.1965 -144.283 52.1955 -174.843 GPRESSURE: 483800 -255.078 -66.2607 -135.85 -31.1993 -30.1223 41.815 -142.891 48.5789 -163.912 PRESSAVG: 483800 26.6855 6.06476 47.9962 6.06472 -65.2808 -91.9122 47.9961 -91.9122 1.83756 GPRESSAVG: 483800 27.6549 7.37567 50.2242 3.90552 -64.6471 -95.2107 46.9759 -89.9104 0.162242 TIMING: 483800 CPU: 1405.11, 0.00287323/step Wall: 1405.11, 0.00287323/step, 3.60447 hours remaining, 207.078125 MB of memory in use. ENERGY: 483800 739.5691 2165.2298 1957.1042 107.5039 -205958.4174 17604.2710 0.0000 0.0000 34131.3679 -149253.3714 298.0777 -183384.7394 -149163.0987 299.2825 -183.8121 -149.7043 557018.8672 -12.2526 -12.2766 PRESSURE: 484000 18.4499 72.8819 -79.9677 72.8819 16.1788 -127.596 -79.9688 -127.597 -102.691 GPRESSURE: 484000 31.334 -33.3362 -51.7 38.1087 74.7972 -133.048 -60.8318 -120.116 -78.5462 PRESSAVG: 484000 6.8137 28.8692 -7.20104 28.8693 -56.4 -53.0545 -7.20108 -53.0545 58.9108 GPRESSAVG: 484000 5.31199 28.993 -8.35296 29.9861 -56.0548 -53.1293 -4.94335 -54.5692 60.3367 TIMING: 484000 CPU: 1405.69, 0.00287489/step Wall: 1405.69, 0.00287489/step, 3.60638 hours remaining, 207.078125 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: 484000 763.6080 2086.0378 1976.6070 114.5203 -206217.8171 17982.6878 0.0000 0.0000 34084.4543 -149209.9019 297.6680 -183294.3563 -149108.5013 299.1536 -22.6874 9.1950 558079.6158 3.1082 3.1979 PRESSURE: 484200 221.335 -43.6945 -129.539 -43.6941 106.414 -70.3042 -129.54 -70.3047 7.56904 GPRESSURE: 484200 231.717 -86.3203 -112.575 29.3224 165.908 -89.244 -106.574 -118.955 33.6514 PRESSAVG: 484200 79.2351 16.311 26.4763 16.3112 -16.1655 -37.9094 26.4764 -37.9093 -27.6348 GPRESSAVG: 484200 78.8587 19.007 25.8638 15.5177 -16.0142 -38.3757 27.8247 -36.6995 -27.8263 TIMING: 484200 CPU: 1406.27, 0.00288379/step Wall: 1406.27, 0.00288379/step, 3.61739 hours remaining, 207.078125 MB of memory in use. ENERGY: 484200 775.3311 2076.1857 1974.3691 122.2560 -206514.9202 18151.4567 0.0000 0.0000 34347.5955 -149067.7260 299.9661 -183415.3215 -148977.4241 299.4737 111.7726 143.7586 557553.6785 11.8116 11.6727 LDB: ============= START OF LOAD BALANCING ============== 1409.73 LDB: ============== END OF LOAD BALANCING =============== 1409.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1409.73 LDB: ============= START OF LOAD BALANCING ============== 1410.02 LDB: Largest compute 4820 load 0.026967 is 22.9% of average load 0.117563 LDB: Average compute 0.001727 is 1.5% of average load 0.117563 LDB: TIME 1410.02 LOAD: AVG 0.117563 MAX 0.177511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.078 MB LDB: TIME 1410.02 LOAD: AVG 0.117563 MAX 0.177511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.152 MB LDB: TIME 1410.02 LOAD: AVG 0.117563 MAX 0.177511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1410.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1410.03 PRESSURE: 484400 -37.0832 21.9484 -11.6169 21.9481 -335.106 38.5521 -11.617 38.5522 -241.854 GPRESSURE: 484400 -0.703677 -20.832 -51.0451 75.7832 -310.972 1.34597 -59.9973 79.6393 -225.006 PRESSAVG: 484400 17.2134 5.27232 0.0148084 5.27228 -28.8884 -19.9671 0.0148348 -19.9671 -8.21953 GPRESSAVG: 484400 17.6613 4.07122 0.154496 6.23108 -30.137 -18.3054 -2.3085 -21.0824 -7.63334 TIMING: 484400 CPU: 1406.85, 0.00293834/step Wall: 1406.85, 0.00293834/step, 3.68565 hours remaining, 204.621094 MB of memory in use. ENERGY: 484400 782.9079 2096.4397 1977.8969 110.6390 -206140.7562 17695.9203 0.0000 0.0000 34297.1375 -149179.8149 299.5254 -183476.9524 -149084.7200 299.2449 -204.6812 -178.8939 558136.7621 -6.6315 -6.7030 PRESSURE: 484600 -106.939 76.2589 241.32 76.2575 -100.807 -127.843 241.321 -127.842 186.239 GPRESSURE: 484600 -39.2392 119.301 227.006 67.3065 -84.7367 -134.856 180.313 -118.219 218.95 PRESSAVG: 484600 47.2999 19.7866 11.6842 19.7866 -64.2297 -7.43212 11.684 -7.43211 9.62355 GPRESSAVG: 484600 46.9399 19.4451 11.8776 19.668 -63.2463 -6.52893 12.1332 -8.04524 9.28612 TIMING: 484600 CPU: 1407.43, 0.00287383/step Wall: 1407.43, 0.00287383/step, 3.60458 hours remaining, 204.824219 MB of memory in use. ENERGY: 484600 750.4947 2106.4193 2000.6829 111.0266 -206211.9869 17856.6794 0.0000 0.0000 34148.1410 -149238.5430 298.2242 -183386.6840 -149151.9358 299.4678 -7.1692 31.6582 558054.0349 -2.4354 -2.3401 PRESSURE: 484800 59.4899 73.0139 -94.9229 73.0138 9.46265 -48.4359 -94.9239 -48.4369 -187.711 GPRESSURE: 484800 58.0304 55.8733 -65.7919 75.4354 -3.38986 -25.2759 -134.107 -72.4497 -95.6737 PRESSAVG: 484800 20.7612 73.5661 -4.8459 73.566 -38.9103 -20.6164 -4.84587 -20.6164 23.7509 GPRESSAVG: 484800 19.6535 71.5331 -4.97031 72.9615 -38.5671 -23.7036 -5.03554 -18.5248 24.5402 TIMING: 484800 CPU: 1408.01, 0.00290429/step Wall: 1408.01, 0.00290429/step, 3.64262 hours remaining, 204.824219 MB of memory in use. ENERGY: 484800 744.9810 2151.0440 1929.8711 107.3507 -206603.1588 18116.5720 0.0000 0.0000 34178.6136 -149374.7265 298.4903 -183553.3401 -149277.1482 299.1771 -39.5863 -13.6777 557897.9373 1.8673 1.8755 PRESSURE: 485000 -44.8561 -53.1484 -82.4963 -53.1487 152.393 -39.0297 -82.4957 -39.0295 -256.826 GPRESSURE: 485000 46.0989 -77.3824 -114.901 -80.1232 134.093 -79.858 -66.6295 -78.3218 -234.337 PRESSAVG: 485000 -58.7467 19.7223 -0.591812 19.7223 20.2595 -18.9018 -0.591772 -18.9019 23.2024 GPRESSAVG: 485000 -55.8943 20.2207 -1.00371 20.8049 19.032 -17.7598 -0.0114534 -19.73 22.1702 TIMING: 485000 CPU: 1408.59, 0.00288593/step Wall: 1408.59, 0.00288593/step, 3.61944 hours remaining, 204.824219 MB of memory in use. ENERGY: 485000 757.6932 2082.2581 1979.9956 120.6509 -206462.4990 17944.1370 0.0000 0.0000 34105.1206 -149472.6436 297.8485 -183577.7643 -149371.3911 298.7532 -49.7631 -18.0486 557759.6961 -5.0949 -4.8974 PRESSURE: 485200 259.702 -64.9068 172.582 -64.9054 45.9449 71.8819 172.579 71.8815 430.265 GPRESSURE: 485200 276.183 -70.6218 159.025 -78.8012 101.315 48.3536 106.907 157.549 464.796 PRESSAVG: 485200 -17.8319 -20.4996 27.7126 -20.4997 -9.95957 26.8626 27.7126 26.8625 33.8754 GPRESSAVG: 485200 -19.7647 -19.9143 29.0381 -21.0964 -9.02398 27.1817 25.491 26.9005 34.1744 TIMING: 485200 CPU: 1409.16, 0.00288346/step Wall: 1409.16, 0.00288346/step, 3.61617 hours remaining, 205.027344 MB of memory in use. ENERGY: 485200 791.0578 2083.3665 1960.8336 108.9319 -207144.8517 18296.5101 0.0000 0.0000 34379.8785 -149524.2732 300.2480 -183904.1517 -149435.7094 299.0038 245.3039 280.7646 556218.9030 2.0280 1.7952 PRESSURE: 485400 -2.7828 18.4765 -166.101 18.4757 -88.5963 113.445 -166.101 113.445 5.18392 GPRESSURE: 485400 42.7747 16.7074 -192.455 15.9085 -75.2602 128.426 -100.126 86.9022 43.5745 PRESSAVG: 485400 -45.863 -84.254 -24.9923 -84.254 32.8503 -15.0892 -24.9923 -15.0891 36.3702 GPRESSAVG: 485400 -44.362 -83.8595 -25.3953 -83.3455 31.3099 -15.4483 -23.7584 -13.9073 36.5261 TIMING: 485400 CPU: 1409.74, 0.00287532/step Wall: 1409.74, 0.00287532/step, 3.60581 hours remaining, 205.027344 MB of memory in use. ENERGY: 485400 727.7019 2074.6760 1971.3493 103.5716 -206523.0445 17985.3419 0.0000 0.0000 34192.8110 -149467.5928 298.6143 -183660.4038 -149369.4964 298.8121 -28.7317 3.6963 556240.9962 7.7858 7.8247 PRESSURE: 485600 -115.177 9.9059 65.905 9.90596 -103.422 -58.2504 65.9053 -58.2526 -300.245 GPRESSURE: 485600 -132.965 74.0296 -8.21784 5.9456 -52.6109 -85.7247 55.2766 -97.0945 -231.479 PRESSAVG: 485600 55.4811 -31.9722 -16.0679 -31.9723 53.1983 25.762 -16.068 25.7619 -87.0428 GPRESSAVG: 485600 55.2443 -31.5154 -14.6102 -32.9057 54.4566 25.1216 -14.847 25.5326 -88.5203 TIMING: 485600 CPU: 1410.31, 0.00286782/step Wall: 1410.31, 0.00286782/step, 3.59625 hours remaining, 205.027344 MB of memory in use. ENERGY: 485600 771.3726 2069.7522 1989.1490 112.0822 -206034.5013 17513.7940 0.0000 0.0000 34125.4325 -149452.9188 298.0259 -183578.3512 -149353.4836 298.8156 -172.9478 -139.0182 557760.8108 7.2122 7.0602 PRESSURE: 485800 -6.4382 -47.9092 134.744 -47.9088 21.643 44.3311 134.744 44.3321 161.738 GPRESSURE: 485800 19.0163 -118.218 166.143 -10.2711 62.6135 75.04 143.261 56.7778 183.677 PRESSAVG: 485800 43.0756 -13.2202 65.8028 -13.2202 -55.0408 -5.75873 65.8028 -5.7588 -1.1637 GPRESSAVG: 485800 42.0555 -14.8884 63.178 -10.7518 -54.4056 -4.85605 66.195 -7.06582 -0.424682 TIMING: 485800 CPU: 1410.89, 0.00289098/step Wall: 1410.89, 0.00289098/step, 3.62513 hours remaining, 205.027344 MB of memory in use. ENERGY: 485800 714.9835 2112.8562 1960.1365 114.3082 -206691.5094 17977.4531 0.0000 0.0000 34364.9311 -149446.8409 300.1175 -183811.7720 -149349.5105 299.1276 58.9811 88.4355 557608.4122 -4.3763 -4.2583 PRESSURE: 486000 -273.485 -3.13489 -47.2669 -3.13578 130.923 -250.542 -47.2669 -250.543 -269.855 GPRESSURE: 486000 -215.332 62.8049 -96.297 -15.6994 134.472 -234.463 20.0975 -186.396 -237.516 PRESSAVG: 486000 7.80335 -3.51198 2.47375 -3.51193 54.192 -55.1188 2.47388 -55.1188 -28.9306 GPRESSAVG: 486000 7.80549 -2.51022 3 -4.77991 54.2691 -58.2327 0.614908 -53.7024 -29.1354 TIMING: 486000 CPU: 1411.47, 0.00290047/step Wall: 1411.47, 0.00290047/step, 3.63687 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 486000 760.1908 2135.7398 1961.2356 120.2094 -206260.9504 17669.2988 0.0000 0.0000 34333.0631 -149281.2129 299.8392 -183614.2760 -149184.7122 298.6574 -137.4722 -106.1254 557726.3028 11.0216 10.9797 PRESSURE: 486200 -92.0092 38.1776 17.4497 38.1769 75.2755 139.156 17.4494 139.156 -24.8658 GPRESSURE: 486200 -66.2079 39.9044 22.384 9.713 166.914 131.249 55.4309 111.521 -35.7534 PRESSAVG: 486200 15.2504 -9.09271 -14.0105 -9.0928 37.3618 21.2654 -14.0105 21.2654 -22.4202 GPRESSAVG: 486200 15.4198 -7.25163 -13.818 -9.65772 37.7455 23.4058 -12.8319 21.6398 -22.6845 TIMING: 486200 CPU: 1412.05, 0.00288865/step Wall: 1412.05, 0.00288865/step, 3.62188 hours remaining, 205.027344 MB of memory in use. ENERGY: 486200 773.4650 2053.6142 1963.6702 111.5754 -206100.9922 17875.3968 0.0000 0.0000 34072.0343 -149251.2363 297.5596 -183323.2706 -149151.8735 298.9913 -13.8665 21.6509 558684.7434 10.0640 10.1603 PRESSURE: 486400 -9.20178 -97.2329 86.3154 -97.2346 -160.158 -11.7535 86.3167 -11.75 45.5435 GPRESSURE: 486400 34.3347 -239.741 3.58866 -70.0241 -151.405 70.371 85.5678 -61.7802 92.4737 PRESSAVG: 486400 -22.1179 -4.36741 14.9055 -4.36753 -16.9042 25.1118 14.9055 25.1119 66.0476 GPRESSAVG: 486400 -21.8611 -6.73861 14.2683 -4.24253 -17.4317 26.6014 13.4362 22.9195 66.9015 TIMING: 486400 CPU: 1412.63, 0.00290693/step Wall: 1412.63, 0.00290693/step, 3.64464 hours remaining, 205.027344 MB of memory in use. ENERGY: 486400 727.3340 2084.3276 2005.2679 119.0176 -205870.1528 17528.7098 0.0000 0.0000 34284.8371 -149120.6588 299.4180 -183405.4958 -149018.4013 298.6284 -41.2722 -8.1990 557928.6725 9.0085 9.2029 PRESSURE: 486600 -34.3063 47.1195 125.871 47.1206 -66.7036 -237.1 125.872 -237.1 97.3329 GPRESSURE: 486600 17.2612 -11.1768 136.47 8.71878 -56.4874 -86.9814 173.673 -258.958 138.959 PRESSAVG: 486600 48.1593 15.6918 24.3314 15.6917 -38.0783 -33.2382 24.3314 -33.2383 -10.7336 GPRESSAVG: 486600 49.1419 14.2506 25.8991 16.7617 -38.4778 -35.0792 24.2064 -30.6266 -11.6282 TIMING: 486600 CPU: 1413.21, 0.00289654/step Wall: 1413.21, 0.00289654/step, 3.63146 hours remaining, 205.027344 MB of memory in use. ENERGY: 486600 793.1579 2141.3545 1988.0390 106.5639 -206127.3749 17835.5733 0.0000 0.0000 34265.7475 -148996.9388 299.2513 -183262.6862 -148907.2934 299.3494 -1.2256 33.2441 556530.6257 -0.2176 -0.3214 PRESSURE: 486800 -124.653 42.6631 6.37882 42.6636 -32.2962 37.6289 6.37752 37.6288 -419.585 GPRESSURE: 486800 -128.832 -2.44266 -68.7842 44.633 8.20057 2.18653 21.5559 31.6179 -346.837 PRESSAVG: 486800 71.0162 10.4214 -4.42291 10.4215 -12.7127 -13.8275 -4.42302 -13.8276 -10.7986 GPRESSAVG: 486800 71.5395 12.1231 -5.19871 10.8132 -13.3641 -12.5594 -4.24912 -15.7565 -10.3716 TIMING: 486800 CPU: 1413.78, 0.00288076/step Wall: 1413.78, 0.00288076/step, 3.61151 hours remaining, 205.027344 MB of memory in use. ENERGY: 486800 764.5581 2032.5772 1971.4139 115.7009 -205819.1716 17473.8026 0.0000 0.0000 34396.3502 -149064.7687 300.3919 -183461.1189 -148960.4943 299.7848 -192.1780 -155.8229 556839.0666 15.8350 15.9346 PRESSURE: 487000 -94.5001 -20.1042 -108.44 -20.1059 48.7154 37.5237 -108.44 37.523 10.1893 GPRESSURE: 487000 -87.5063 -30.2205 -73.6589 -88.5005 70.1628 -18.1254 -74.6359 -0.0839343 66.0159 PRESSAVG: 487000 -11.5692 21.9517 -36.8145 21.9516 -20.0066 -1.86553 -36.8146 -1.86555 57.1494 GPRESSAVG: 487000 -13.1158 22.9473 -37.054 21.846 -19.203 -3.9796 -36.4216 -1.79867 57.7128 TIMING: 487000 CPU: 1414.37, 0.00293121/step Wall: 1414.37, 0.00293121/step, 3.6746 hours remaining, 205.027344 MB of memory in use. ENERGY: 487000 759.1722 2068.3008 1959.8090 118.2385 -205607.5803 17602.3106 0.0000 0.0000 34293.3340 -148806.4152 299.4922 -183099.7492 -148706.9064 299.7371 -11.8651 16.2241 557524.4996 8.5245 8.4647 PRESSURE: 487200 -9.95544 48.8483 85.7773 48.8488 147.496 -24.9916 85.7779 -24.9925 -137.593 GPRESSURE: 487200 67.5072 105.546 116.723 41.4903 106.498 17.4184 86.9687 -13.9759 -89.0251 PRESSAVG: 487200 38.1052 -4.93892 -18.2792 -4.93894 -36.1611 58.6271 -18.2792 58.6272 -39.7172 GPRESSAVG: 487200 39.5624 -5.56627 -17.672 -4.34213 -36.1823 61.8593 -18.2347 56.1646 -41.366 TIMING: 487200 CPU: 1414.95, 0.00291655/step Wall: 1414.95, 0.00291655/step, 3.65606 hours remaining, 205.027344 MB of memory in use. ENERGY: 487200 711.5183 2121.0539 1992.0329 122.6854 -205751.7546 17659.7476 0.0000 0.0000 34342.6667 -148802.0497 299.9230 -183144.7164 -148701.4275 300.0780 -0.0176 28.3266 557903.9049 -12.5910 -12.6620 PRESSURE: 487400 212.716 21.8359 98.3077 21.8357 101.203 -57.58 98.3082 -57.5807 -10.0671 GPRESSURE: 487400 219.399 -2.48761 169.17 14.408 147.071 -35.3419 -4.84136 29.6025 38.5457 PRESSAVG: 487400 24.4736 7.89664 -62.3264 7.89664 -11.3057 58.9056 -62.3264 58.9055 12.7455 GPRESSAVG: 487400 23.6889 8.376 -62.6406 5.63268 -12.0202 58.6673 -63.7428 60.3965 14.2111 TIMING: 487400 CPU: 1415.53, 0.00289068/step Wall: 1415.53, 0.00289068/step, 3.62346 hours remaining, 205.027344 MB of memory in use. ENERGY: 487400 735.8404 2040.8104 1970.3160 107.6288 -206146.2322 18058.4266 0.0000 0.0000 34408.4144 -148824.7956 300.4972 -183233.2101 -148728.5150 299.7922 101.2842 135.0052 558099.2713 8.6378 8.6266 PRESSURE: 487600 -7.74034 138.52 -26.9625 138.52 -269.286 61.4925 -26.9617 61.4916 -99.2016 GPRESSURE: 487600 57.1826 85.8021 -60.9308 162.086 -183.686 68.6675 37.4561 44.9259 -162.301 PRESSAVG: 487600 73.7903 1.47917 -27.7363 1.47923 -35.0347 38.7013 -27.7364 38.7011 -3.09979 GPRESSAVG: 487600 74.0013 0.968857 -29.3699 2.36136 -34.6613 37.6634 -23.9463 39.287 -3.33511 TIMING: 487600 CPU: 1416.11, 0.00288169/step Wall: 1416.11, 0.00288169/step, 3.61204 hours remaining, 205.027344 MB of memory in use. ENERGY: 487600 758.1031 2092.8329 1996.1043 104.7338 -205347.3559 17561.4792 0.0000 0.0000 34118.3273 -148715.7752 297.9638 -182834.1026 -148624.4961 300.1904 -125.4092 -96.2682 559667.9814 11.8853 12.0016 PRESSURE: 487800 124.785 -210.379 -171.378 -210.379 -125.92 -94.0581 -171.378 -94.0579 -35.217 GPRESSURE: 487800 121.464 -250.251 -59.4663 -246.497 -139.859 -138.111 -197.742 -84.7503 85.0133 PRESSAVG: 487800 -8.76718 -9.17859 -17.7888 -9.17861 67.9248 12.3198 -17.7888 12.3197 -61.182 GPRESSAVG: 487800 -8.88553 -10.4885 -18.2981 -6.76962 68.3647 11.0153 -20.2857 12.6439 -61.0051 TIMING: 487800 CPU: 1416.69, 0.00288135/step Wall: 1416.69, 0.00288135/step, 3.61146 hours remaining, 205.027344 MB of memory in use. ENERGY: 487800 720.7728 2051.3100 1957.7821 108.4976 -205904.2329 17890.1031 0.0000 0.0000 34344.5873 -148831.1799 299.9398 -183175.7673 -148733.9846 300.6468 -12.1173 22.2062 558395.3964 -0.6748 -0.5086 PRESSURE: 488000 -2.45437 -151.665 -107.998 -151.665 491.575 -36.3775 -107.998 -36.3763 -260.818 GPRESSURE: 488000 10.5864 -114.501 -72.1354 -131.138 505.836 -28.7041 -151.091 37.4425 -205.382 PRESSAVG: 488000 -27.3516 -13.4632 -29.4443 -13.4632 39.4588 32.8082 -29.4444 32.8082 -5.78175 GPRESSAVG: 488000 -27.8105 -11.6178 -25.7832 -15.7103 41.2331 34.3665 -32.225 32.4966 -6.70304 TIMING: 488000 CPU: 1417.26, 0.0028951/step Wall: 1417.26, 0.0028951/step, 3.62852 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 488000 742.6806 2139.1910 1966.6262 112.5021 -206038.0016 17987.2522 0.0000 0.0000 34247.6752 -148842.0744 299.0935 -183089.7496 -148751.6543 299.9449 76.1009 103.6802 558341.3762 2.1085 2.2399 PRESSURE: 488200 138.043 218.053 -35.7822 218.053 -13.7056 -86.0819 -35.7828 -86.0811 36.4228 GPRESSURE: 488200 168.066 189.541 -86.3627 203.403 60.9161 -154.224 69.8921 -82.8397 37.7303 PRESSAVG: 488200 11.2787 -1.65795 -20.7452 -1.65789 21.3486 -3.91356 -20.7451 -3.91363 -57.831 GPRESSAVG: 488200 12.0485 -2.94316 -22.5079 -0.278223 20.4537 -3.78847 -16.3873 -4.71799 -58.2971 TIMING: 488200 CPU: 1417.84, 0.00289372/step Wall: 1417.84, 0.00289372/step, 3.62663 hours remaining, 205.027344 MB of memory in use. ENERGY: 488200 732.2200 2049.8232 1942.2469 119.5514 -206031.5919 17809.2249 0.0000 0.0000 34448.3688 -148930.1567 300.8462 -183378.5255 -148836.3016 299.7991 53.5867 88.9041 556712.7210 -8.4012 -8.5983 LDB: ============= START OF LOAD BALANCING ============== 1421.31 LDB: ============== END OF LOAD BALANCING =============== 1421.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1421.31 LDB: ============= START OF LOAD BALANCING ============== 1421.6 LDB: Largest compute 4820 load 0.028289 is 24.1% of average load 0.117496 LDB: Average compute 0.001728 is 1.5% of average load 0.117496 LDB: TIME 1421.6 LOAD: AVG 0.117496 MAX 0.178321 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.52 MB LDB: TIME 1421.6 LOAD: AVG 0.117496 MAX 0.178321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.59 MB LDB: TIME 1421.6 LOAD: AVG 0.117496 MAX 0.178321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.59 MB LDB: ============== END OF LOAD BALANCING =============== 1421.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1421.61 PRESSURE: 488400 -32.7875 -21.5574 -28.1493 -21.5569 -57.7444 -112.846 -28.1491 -112.847 49.6839 GPRESSURE: 488400 -15.6653 -25.3786 -42.7538 -24.9629 -12.1044 -29.7624 -9.67043 -172.939 79.1551 PRESSAVG: 488400 71.8997 8.20441 9.21844 8.20441 -23.8318 -17.1282 9.21831 -17.1282 -33.5969 GPRESSAVG: 488400 71.7208 8.7661 8.843 7.94828 -25.2101 -15.0271 7.71291 -17.4329 -31.8843 TIMING: 488400 CPU: 1418.43, 0.00294842/step Wall: 1418.43, 0.00294842/step, 3.69502 hours remaining, 203.851562 MB of memory in use. ENERGY: 488400 769.6942 2053.1200 1966.3873 102.3328 -206057.8805 17741.2054 0.0000 0.0000 34391.4122 -149033.7286 300.3488 -183425.1408 -148933.1451 299.4314 -13.6160 17.1284 558156.0802 4.8237 4.8755 PRESSURE: 488600 299.149 -25.6909 -109.018 -25.6904 26.8956 -106.91 -109.017 -106.911 91.0751 GPRESSURE: 488600 262.984 -98.5844 -42.6891 -22.7711 164.9 -69.3945 -110.887 -76.0816 82.3114 PRESSAVG: 488600 10.777 23.3942 60.8736 23.3942 -37.5006 -42.2446 60.8737 -42.2445 14.4648 GPRESSAVG: 488600 9.38759 24.586 62.5031 19.1244 -36.6762 -44.9274 58.538 -40.7612 15.072 TIMING: 488600 CPU: 1419.01, 0.00289866/step Wall: 1419.01, 0.00289866/step, 3.6325 hours remaining, 203.851562 MB of memory in use. ENERGY: 488600 753.8420 2068.4559 1975.3946 107.1211 -206439.5779 18228.7846 0.0000 0.0000 34316.0824 -148989.8973 299.6909 -183305.9798 -148895.8925 299.6775 139.0399 170.0652 557716.8575 -4.0863 -4.0722 PRESSURE: 488800 53.8574 -149.363 -141.765 -149.365 -54.1334 -72.7746 -141.765 -72.7757 -32.589 GPRESSURE: 488800 28.957 -160.609 -161.294 -108.159 -27.2341 -48.4187 -108.259 -147.557 71.4003 PRESSAVG: 488800 54.2668 8.74324 -8.45287 8.74318 -79.0703 44.7113 -8.45278 44.7114 24.8317 GPRESSAVG: 488800 54.7441 7.05684 -9.72812 12.2929 -78.6256 45.1697 -6.35257 43.3716 24.2819 TIMING: 488800 CPU: 1419.59, 0.00289222/step Wall: 1419.59, 0.00289222/step, 3.62427 hours remaining, 203.851562 MB of memory in use. ENERGY: 488800 765.1235 2085.6151 1983.9804 109.7152 -206140.3795 17891.4007 0.0000 0.0000 34335.0235 -148969.5210 299.8563 -183304.5445 -148868.9708 299.5137 -10.9550 24.3744 559756.8792 0.0094 0.1335 PRESSURE: 489000 15.2378 -37.7864 0.458576 -37.7867 -43.5184 64.4742 0.458408 64.4746 4.08443 GPRESSURE: 489000 52.1444 -48.6291 -95.8572 -8.18798 0.571646 102.927 49.7465 39.642 33.8674 PRESSAVG: 489000 47.9968 -58.2852 -10.0192 -58.2853 -44.9571 11.5663 -10.0192 11.5664 22.6942 GPRESSAVG: 489000 48.2198 -56.7534 -11.3943 -59.317 -45.7501 11.0377 -11.5486 11.3813 23.5304 TIMING: 489000 CPU: 1420.17, 0.00288/step Wall: 1420.17, 0.00288/step, 3.6088 hours remaining, 203.851562 MB of memory in use. ENERGY: 489000 741.5144 2092.3136 1976.8536 125.0971 -206171.1687 17915.9212 0.0000 0.0000 34462.0641 -148857.4047 300.9658 -183319.4688 -148763.4751 299.8661 -8.0654 28.8611 559663.9134 8.5779 8.6667 PRESSURE: 489200 -201.702 -180.326 -41.114 -180.326 -11.005 -92.165 -41.1152 -92.1651 -83.5847 GPRESSURE: 489200 -143.355 -200.361 -7.88933 -236.117 21.2615 -141.237 -71.2545 -64.1301 -78.6588 PRESSAVG: 489200 13.5328 -15.5245 -3.79071 -15.5245 26.6914 -4.84902 -3.79073 -4.84898 -15.6549 GPRESSAVG: 489200 13.4867 -16.9914 -3.34168 -14.8624 28.0557 -3.44651 -2.58994 -5.41965 -16.8619 TIMING: 489200 CPU: 1420.75, 0.00290749/step Wall: 1420.75, 0.00290749/step, 3.64309 hours remaining, 203.851562 MB of memory in use. ENERGY: 489200 749.3614 2111.1644 1961.6905 107.4968 -205989.9512 17733.3773 0.0000 0.0000 34417.2532 -148909.6075 300.5744 -183326.8608 -148808.3102 300.0113 -98.7640 -66.9174 558961.4307 8.1898 8.2269 PRESSURE: 489400 -367.369 21.1825 -77.0694 21.1833 51.8662 12.3817 -77.0708 12.3798 354.472 GPRESSURE: 489400 -273.785 0.885877 -111.305 0.636012 82.7718 57.348 -67.8711 -59.2096 332.517 PRESSAVG: 489400 -14.7393 46.0109 8.66947 46.011 -24.778 71.8632 8.66937 71.8633 30.9564 GPRESSAVG: 489400 -13.9586 46.8654 11.2459 47.1131 -24.4417 72.0104 7.47091 72.5382 30.1999 TIMING: 489400 CPU: 1421.33, 0.00289581/step Wall: 1421.33, 0.00289581/step, 3.62829 hours remaining, 203.851562 MB of memory in use. ENERGY: 489400 733.1759 2093.9216 1977.8987 101.1756 -206151.9710 17939.4388 0.0000 0.0000 34336.0078 -148970.3526 299.8649 -183306.3604 -148873.5777 299.8589 12.9897 47.1680 558742.5167 -2.8536 -2.7335 PRESSURE: 489600 164.585 147.672 -4.26043 147.672 142.432 57.2887 -4.26029 57.2902 -43.8383 GPRESSURE: 489600 234.525 164.19 44.556 108.322 134.702 62.2178 -22.8258 81.0631 9.14457 PRESSAVG: 489600 -2.97694 29.4918 66.1488 29.4918 -18.0783 17.573 66.1488 17.5731 16.8721 GPRESSAVG: 489600 -3.69808 30.0789 65.4786 29.8075 -18.6923 16.2947 67.4443 18.4535 18.4484 TIMING: 489600 CPU: 1421.91, 0.00290885/step Wall: 1421.91, 0.00290885/step, 3.64446 hours remaining, 203.851562 MB of memory in use. ENERGY: 489600 731.5860 2125.1411 1951.9969 115.4520 -206381.2898 17949.4417 0.0000 0.0000 34505.7956 -149001.8765 301.3477 -183507.6721 -148897.1246 299.8500 87.7261 126.1238 558240.4917 -1.3944 -1.3140 PRESSURE: 489800 179.203 79.8233 -166.878 79.8224 -245.421 90.6681 -166.879 90.6677 -214.325 GPRESSURE: 489800 222.763 131.528 -100.235 36.4563 -211.286 18.9134 -205.004 119.389 -197.024 PRESSAVG: 489800 -51.5697 16.7431 -54.4603 16.743 -26.1762 83.1702 -54.4604 83.1701 14.4091 GPRESSAVG: 489800 -51.4197 15.7383 -55.976 16.5518 -25.537 85.2283 -54.501 81.5767 13.2252 TIMING: 489800 CPU: 1422.49, 0.002898/step Wall: 1422.49, 0.002898/step, 3.63071 hours remaining, 203.851562 MB of memory in use. ENERGY: 489800 727.7107 2117.8194 1967.5860 104.8033 -205850.1894 17766.9894 0.0000 0.0000 34182.8083 -148982.4724 298.5270 -183165.2807 -148880.8159 299.2623 -93.5146 -61.8491 559703.0819 -21.1123 -21.2438 PRESSURE: 490000 -266.585 -143.938 -25.347 -143.938 -411.458 -106.928 -25.3481 -106.928 -238.772 GPRESSURE: 490000 -243.386 -170.898 15.8828 -148.135 -375.494 -104.441 -25.3772 -55.0692 -206.634 PRESSAVG: 490000 -53.288 6.42432 -63.056 6.42424 78.7856 16.2425 -63.0561 16.2425 -9.29014 GPRESSAVG: 490000 -52.7233 7.23969 -62.1492 6.35855 78.7878 13.6456 -63.4577 16.5848 -10.8797 TIMING: 490000 CPU: 1423.07, 0.00289597/step Wall: 1423.07, 0.00289597/step, 3.628 hours remaining, 203.851562 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: 490000 740.2053 2091.4527 1985.9667 110.4656 -205449.4289 17404.1414 0.0000 0.0000 34157.0826 -148960.1147 298.3023 -183117.1973 -148859.3113 299.4663 -305.6053 -275.1715 560119.6524 5.4025 5.0616 PRESSURE: 490200 -139.247 -62.2121 48.9131 -62.2139 100.215 -139.662 48.9136 -139.664 98.7433 GPRESSURE: 490200 -94.7147 -27.8804 36.5723 -73.2138 171.466 -186.599 82.1256 -90.2017 70.7251 PRESSAVG: 490200 23.975 -88.5764 70.6289 -88.5763 21.0107 -33.6215 70.6289 -33.6215 -51.6265 GPRESSAVG: 490200 22.8451 -89.1179 71.4539 -88.8043 20.1738 -31.6113 70.9486 -33.8676 -49.6865 TIMING: 490200 CPU: 1423.65, 0.00290381/step Wall: 1423.65, 0.00290381/step, 3.63766 hours remaining, 203.921875 MB of memory in use. ENERGY: 490200 713.6055 2082.3034 1977.9208 111.2957 -206040.2523 17645.9472 0.0000 0.0000 34399.9651 -149109.2145 300.4235 -183509.1796 -149021.2926 299.6199 19.9035 49.1589 557029.4122 -2.2136 -2.2225 PRESSURE: 490400 -48.215 -5.10186 91.0053 -5.10143 36.933 110.522 91.0056 110.522 -78.669 GPRESSURE: 490400 -7.54019 36.5983 96.2429 -7.71586 69.0392 136.16 156.499 114.525 -62.5602 PRESSAVG: 490400 42.7873 22.4116 26.5892 22.4116 -12.846 3.39813 26.5893 3.39828 -40.3588 GPRESSAVG: 490400 42.0463 20.5603 24.8791 23.0297 -11.5953 2.90836 27.4494 2.29102 -41.1406 TIMING: 490400 CPU: 1424.23, 0.00291/step Wall: 1424.23, 0.00291/step, 3.64526 hours remaining, 203.921875 MB of memory in use. ENERGY: 490400 725.8243 2096.3229 1965.2433 99.5616 -206366.3689 17762.3574 0.0000 0.0000 34505.4343 -149211.6251 301.3445 -183717.0594 -149113.8343 299.1349 -29.9837 -0.3537 556977.3759 -3.4725 -3.5632 PRESSURE: 490600 -77.7204 -4.05428 -138.983 -4.05327 155.942 -32.755 -138.983 -32.7529 -113.52 GPRESSURE: 490600 -39.7801 -63.7394 -208.79 -0.970467 189.345 -97.5343 -67.241 -55.6659 -84.8554 PRESSAVG: 490600 31.2167 23.7521 -48.9833 23.7521 -11.8421 46.8297 -48.9833 46.8296 -6.53314 GPRESSAVG: 490600 32.4024 28.2757 -47.459 22.6221 -12.1986 47.1669 -50.6084 48.7728 -7.87525 TIMING: 490600 CPU: 1424.81, 0.00289245/step Wall: 1424.81, 0.00289245/step, 3.62311 hours remaining, 203.921875 MB of memory in use. ENERGY: 490600 739.3209 2061.0524 1989.0797 119.4915 -206105.7623 17812.9966 0.0000 0.0000 34136.5525 -149247.2687 298.1230 -183383.8212 -149164.2663 298.7975 -11.7662 21.5697 557657.1361 4.2805 4.1095 PRESSURE: 490800 -300.336 -124.947 12.947 -124.947 -393.235 64.9821 12.9474 64.9822 -259.422 GPRESSURE: 490800 -287.095 -63.1585 44.5449 -48.7243 -327.654 75.4296 1.18975 32.9222 -249.869 PRESSAVG: 490800 -16.1437 -26.6295 33.4381 -26.6294 69.3431 33.6675 33.438 33.6675 -54.728 GPRESSAVG: 490800 -17.7259 -27.8393 31.3896 -24.9203 69.0789 34.4511 34.2439 33.092 -52.8408 TIMING: 490800 CPU: 1425.39, 0.00288901/step Wall: 1425.39, 0.00288901/step, 3.61865 hours remaining, 203.921875 MB of memory in use. ENERGY: 490800 759.3939 2094.2802 1964.2584 101.0882 -205805.4301 17349.0954 0.0000 0.0000 34285.9689 -149251.3451 299.4279 -183537.3139 -149150.4446 299.3396 -317.6641 -288.2060 557656.4848 -0.5096 -0.4959 PRESSURE: 491000 -182.066 -75.5585 -156.321 -75.5579 -537.756 93.244 -156.322 93.2441 68.7547 GPRESSURE: 491000 -169.251 -84.2921 -79.86 -5.17538 -455.081 20.9074 -216.549 102.36 80.1077 PRESSAVG: 491000 66.7267 44.1144 -20.3634 44.1144 -69.6993 10.5607 -20.3633 10.5608 19.0013 GPRESSAVG: 491000 67.5425 42.576 -20.5579 42.8316 -70.4685 8.19292 -19.0191 11.1086 18.8181 TIMING: 491000 CPU: 1425.96, 0.00287739/step Wall: 1425.96, 0.00287739/step, 3.60393 hours remaining, 203.921875 MB of memory in use. ENERGY: 491000 771.7116 2043.5257 1955.1049 98.0669 -205848.3306 17466.4933 0.0000 0.0000 34268.4062 -149245.0221 299.2745 -183513.4283 -149144.6427 299.6389 -217.0225 -181.4079 557717.9838 5.3429 5.2973 PRESSURE: 491200 -211.169 -95.4966 -83.7974 -95.497 70.5779 -77.1879 -83.7967 -77.1863 -15.1198 GPRESSURE: 491200 -183.757 -62.3271 -11.2037 -56.9464 149.29 1.15165 -82.8297 -124.623 -16.323 PRESSAVG: 491200 33.751 15.286 -28.4723 15.286 -100.984 -18.5512 -28.4722 -18.5512 35.5162 GPRESSAVG: 491200 33.9043 15.8573 -28.0861 14.3686 -100.147 -17.2793 -29.2613 -19.3512 34.5318 TIMING: 491200 CPU: 1426.54, 0.00290145/step Wall: 1426.54, 0.00290145/step, 3.6339 hours remaining, 203.921875 MB of memory in use. ENERGY: 491200 756.1826 2094.1841 1967.4800 115.6034 -206295.1434 17818.7497 0.0000 0.0000 34251.0436 -149291.9001 299.1229 -183542.9437 -149194.9732 299.1667 -51.9036 -16.9299 558588.0113 -10.5722 -10.5704 PRESSURE: 491400 59.3213 77.3023 -142.921 77.302 247.872 71.049 -142.922 71.0502 50.4306 GPRESSURE: 491400 83.5347 -36.8951 -11.0231 98.3998 272.298 50.4437 -213.77 68.7542 106.655 PRESSAVG: 491400 52.5307 4.30984 -42.4429 4.30972 -50.8416 -29.9407 -42.4428 -29.9407 -35.658 GPRESSAVG: 491400 53.0984 2.66291 -42.0463 6.58625 -51.0422 -28.847 -41.7108 -29.6409 -35.86 TIMING: 491400 CPU: 1427.12, 0.00288801/step Wall: 1427.12, 0.00288801/step, 3.61691 hours remaining, 203.921875 MB of memory in use. ENERGY: 491400 757.3168 2093.8331 1967.9719 115.2843 -206693.5065 18157.3137 0.0000 0.0000 34327.7205 -149274.0662 299.7925 -183601.7868 -149179.3521 298.7223 119.2079 154.1626 557973.0118 -11.3230 -11.2679 PRESSURE: 491600 137.276 -122.081 -106.077 -122.081 -220.02 153.265 -106.076 153.265 136.923 GPRESSURE: 491600 111.462 -184.043 -40.2206 -123.178 -190.057 93.9025 -50.0853 293.97 217.976 PRESSAVG: 491600 19.5388 -21.7089 -80.3864 -21.7089 -42.5508 44.3064 -80.3864 44.3064 79.1402 GPRESSAVG: 491600 19.3713 -19.4668 -80.6254 -22.7699 -42.9607 43.2402 -82.686 44.4223 80.3762 TIMING: 491600 CPU: 1427.7, 0.00292081/step Wall: 1427.7, 0.00292081/step, 3.65782 hours remaining, 203.921875 MB of memory in use. ENERGY: 491600 723.7098 2105.2170 2010.9761 131.3778 -206545.4222 17887.4854 0.0000 0.0000 34331.7741 -149354.8820 299.8279 -183686.6561 -149252.1054 298.5404 18.0596 46.4605 557445.7842 18.7094 18.9289 PRESSURE: 491800 -228.636 -18.8518 98.421 -18.8499 -179.989 164.739 98.4209 164.738 242.394 GPRESSURE: 491800 -233.706 -8.06427 147.031 -3.01016 -138.715 161.407 57.5046 99.2183 300.754 PRESSAVG: 491800 -86.7644 -48.5558 1.91259 -48.5559 -17.8905 29.5942 1.91256 29.5942 94.3833 GPRESSAVG: 491800 -87.3878 -48.8384 1.50189 -48.809 -16.3552 30.769 4.26625 29.3244 92.9556 TIMING: 491800 CPU: 1428.29, 0.00291368/step Wall: 1428.29, 0.00291368/step, 3.64874 hours remaining, 203.921875 MB of memory in use. ENERGY: 491800 809.5980 2113.7258 2020.8878 111.5653 -206739.8531 18017.1532 0.0000 0.0000 34256.0101 -149410.9129 299.1663 -183666.9230 -149313.8971 298.9309 -55.4103 -23.8889 557461.9005 -3.4239 -3.5958 PRESSURE: 492000 33.9788 86.4449 196.178 86.4458 -56.5361 -50.6825 196.179 -50.6824 -143.32 GPRESSURE: 492000 69.4586 102.7 202.834 17.0621 -13.9907 -57.4233 109.741 23.374 -130.396 PRESSAVG: 492000 22.1023 18.2476 26.0006 18.2477 -96.5316 37.456 26.0007 37.4559 52.9911 GPRESSAVG: 492000 22.6773 17.838 26.4789 18.0211 -97.6535 36.5208 24.5462 37.4438 53.6143 TIMING: 492000 CPU: 1428.87, 0.00290519/step Wall: 1428.87, 0.00290519/step, 3.63795 hours remaining, 203.921875 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: 492000 742.6886 2084.9855 1973.6288 118.6949 -206622.1676 18000.0596 0.0000 0.0000 34167.5865 -149534.5238 298.3940 -183702.1103 -149435.6920 298.5536 -55.2924 -24.9759 558133.4642 -7.1461 -7.1206 PRESSURE: 492200 149.39 2.30438 124 2.30428 100.987 2.47476 124.002 2.47404 -190.153 GPRESSURE: 492200 166.241 42.1496 92.947 -49.3604 114.522 -71.5588 136.728 -1.37077 -120.349 PRESSAVG: 492200 -24.9952 -26.2261 8.22088 -26.2262 -0.0795635 30.0201 8.22087 30.0202 28.767 GPRESSAVG: 492200 -25.0982 -25.7839 8.02236 -24.2741 0.532292 30.9934 9.55422 29.2561 28.7117 TIMING: 492200 CPU: 1429.45, 0.00288789/step Wall: 1429.45, 0.00288789/step, 3.61611 hours remaining, 203.921875 MB of memory in use. ENERGY: 492200 731.3071 2060.7472 1987.9721 115.2731 -206547.6395 17917.0611 0.0000 0.0000 34154.5499 -149580.7290 298.2802 -183735.2789 -149482.6289 297.6489 20.0747 53.4714 557379.8107 1.2308 1.3819 LDB: ============= START OF LOAD BALANCING ============== 1432.91 LDB: ============== END OF LOAD BALANCING =============== 1432.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1432.91 LDB: ============= START OF LOAD BALANCING ============== 1433.21 LDB: Largest compute 4820 load 0.026497 is 22.5% of average load 0.117548 LDB: Average compute 0.001725 is 1.5% of average load 0.117548 LDB: TIME 1433.21 LOAD: AVG 0.117548 MAX 0.178619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.973 MB LDB: TIME 1433.21 LOAD: AVG 0.117548 MAX 0.178619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.012 MB LDB: TIME 1433.21 LOAD: AVG 0.117548 MAX 0.178619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1433.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1433.21 PRESSURE: 492400 -12.802 -1.2392 45.8511 -1.23764 18.803 54.266 45.8509 54.2659 -107.285 GPRESSURE: 492400 -4.23916 16.9501 71.1464 31.0837 19.9873 17.4102 -46.4064 59.2989 -4.34703 PRESSAVG: 492400 7.04679 -6.20814 43.3387 -6.20813 11.9328 29.0786 43.3387 29.0787 -20.7818 GPRESSAVG: 492400 6.88095 -7.3645 43.6646 -6.04732 11.8533 28.528 41.8084 31.7414 -20.3737 TIMING: 492400 CPU: 1430.04, 0.00296506/step Wall: 1430.04, 0.00296506/step, 3.71259 hours remaining, 204.363281 MB of memory in use. ENERGY: 492400 796.7195 2044.2591 1977.5080 108.9463 -206383.0067 17831.4472 0.0000 0.0000 34307.2202 -149316.9064 299.6135 -183624.1266 -149224.3948 298.3836 -33.7613 3.8004 556393.5135 -0.6007 -0.5465 PRESSURE: 492600 -53.2566 -87.5927 131.814 -87.5929 -161.444 -16.7837 131.814 -16.7838 90.0135 GPRESSURE: 492600 -34.007 -112.526 101.392 -101.559 -103.865 24.9867 109.949 -64.2101 110.478 PRESSAVG: 492600 -53.5899 16.1294 -42.5069 16.1293 -0.231694 3.72219 -42.5068 3.72218 38.2783 GPRESSAVG: 492600 -53.7145 16.3639 -42.4835 14.5957 -0.167179 3.57512 -39.6831 1.68433 38.1971 TIMING: 492600 CPU: 1430.63, 0.00293106/step Wall: 1430.63, 0.00293106/step, 3.66985 hours remaining, 204.566406 MB of memory in use. ENERGY: 492600 749.5132 2139.3867 1990.3135 116.9871 -206304.5912 17672.1242 0.0000 0.0000 34300.7402 -149335.5264 299.5569 -183636.2665 -149236.5706 298.4534 -41.5625 -9.1312 556841.2844 -5.1811 -5.2282 PRESSURE: 492800 -171.676 0.762472 -8.20594 0.763142 162.973 -199.519 -8.20718 -199.519 -38.7409 GPRESSURE: 492800 -129.604 -111.571 -25.5226 71.9427 151.24 -122.955 54.7482 -136.102 16.5976 PRESSAVG: 492800 -65.8523 0.29866 7.40948 0.29865 38.4998 15.1386 7.40947 15.1386 4.39403 GPRESSAVG: 492800 -64.7663 -0.091588 8.49413 -0.397111 38.4652 15.2264 4.95826 13.6135 3.2592 TIMING: 492800 CPU: 1431.21, 0.00291847/step Wall: 1431.21, 0.00291847/step, 3.65393 hours remaining, 204.593750 MB of memory in use. ENERGY: 492800 775.7703 2074.6611 1968.4531 107.6262 -206208.4841 17777.3351 0.0000 0.0000 34195.7626 -149308.8757 298.6401 -183504.6383 -149210.1617 298.6067 -15.8147 12.7445 558956.9434 -7.6528 -7.6806 PRESSURE: 493000 -282.65 27.4567 80.1753 27.4556 -225.86 80.5097 80.1759 80.5097 -418.882 GPRESSURE: 493000 -321.087 71.132 83.9422 27.7824 -140.276 109.2 43.8404 35.5112 -377.695 PRESSAVG: 493000 2.02472 -13.7313 37.0266 -13.7313 16.7172 20.3064 37.0267 20.3063 6.2932 GPRESSAVG: 493000 1.16028 -12.4011 37.416 -13.8857 17.4217 20.2938 36.5136 21.8211 6.34595 TIMING: 493000 CPU: 1431.79, 0.00291298/step Wall: 1431.79, 0.00291298/step, 3.64689 hours remaining, 204.593750 MB of memory in use. ENERGY: 493000 779.9924 2134.0974 1994.8774 120.4010 -205774.1365 17397.0406 0.0000 0.0000 34084.9492 -149262.7786 297.6723 -183347.7278 -149168.2843 298.9325 -309.1304 -279.6861 558649.3496 8.3450 8.3093 PRESSURE: 493200 155.258 -125.196 95.6795 -125.195 -20.6592 -125.562 95.6783 -125.562 153.96 GPRESSURE: 493200 113.015 -133.232 15.576 -136.999 44.2824 -36.1526 126.289 -183.521 220.007 PRESSAVG: 493200 -11.9242 -4.16648 -40.1817 -4.16645 -12.5479 -8.04587 -40.1817 -8.04586 -2.52951 GPRESSAVG: 493200 -11.9188 -4.35673 -40.6071 -4.24394 -13.3734 -6.7138 -39.5266 -8.77577 -1.65916 TIMING: 493200 CPU: 1432.38, 0.00291854/step Wall: 1432.38, 0.00291854/step, 3.65369 hours remaining, 204.593750 MB of memory in use. ENERGY: 493200 751.9598 2100.8067 1969.7722 121.5096 -206537.2482 18036.9865 0.0000 0.0000 34117.4416 -149438.7718 297.9561 -183556.2134 -149344.0323 298.9325 96.1861 125.7683 557299.8440 -9.0005 -8.9838 PRESSURE: 493400 -75.4954 -13.9738 33.2921 -13.9745 -231.15 14.6116 33.2946 14.6119 -13.5966 GPRESSURE: 493400 -45.6136 -124.602 58.9664 14.302 -192.642 24.6818 -0.621329 60.5083 18.8313 PRESSAVG: 493400 -12.932 38.0378 28.0704 38.0378 -32.4075 5.73448 28.0703 5.7346 42.4873 GPRESSAVG: 493400 -11.9251 36.4834 26.5233 39.2654 -33.3188 6.10195 30.004 6.15849 42.4207 TIMING: 493400 CPU: 1432.96, 0.00291443/step Wall: 1432.96, 0.00291443/step, 3.64839 hours remaining, 204.593750 MB of memory in use. ENERGY: 493400 733.9591 2097.0505 1995.8619 120.1881 -206258.0064 17695.2847 0.0000 0.0000 34309.0567 -149306.6055 299.6295 -183615.6621 -149210.8131 298.9868 -106.7474 -73.1413 556331.3122 -0.9507 -0.9411 PRESSURE: 493600 -147.705 21.6054 -30.6623 21.6064 -267.95 115.456 -30.6624 115.456 72.1431 GPRESSURE: 493600 -129.646 33.8387 -74.1381 7.55374 -247.663 50.542 -13.7748 72.9393 126.835 PRESSAVG: 493600 -13.3762 47.6182 -12.5697 47.6183 42.6296 2.35195 -12.5697 2.3519 -17.3527 GPRESSAVG: 493600 -14.0077 48.4437 -12.3638 47.5426 44.0813 0.993312 -13.8791 1.73606 -18.2407 TIMING: 493600 CPU: 1433.54, 0.0029213/step Wall: 1433.54, 0.00292129/step, 3.65681 hours remaining, 204.593750 MB of memory in use. ENERGY: 493600 788.5826 2095.8030 2008.6443 114.4168 -206434.8347 17752.5994 0.0000 0.0000 34306.7124 -149368.0762 299.6091 -183674.7886 -149272.5610 298.4165 -114.5038 -83.4915 556696.4020 3.9669 3.9443 PRESSURE: 493800 8.7865 7.12679 -156.548 7.12699 -69.4638 -12.7014 -156.548 -12.7022 -146.172 GPRESSURE: 493800 55.3043 -27.2619 25.7581 -2.08789 -70.8093 -20.6781 -161.341 -37.7082 -87.8915 PRESSAVG: 493800 2.74248 1.21199 -40.4939 1.21196 20.0258 14.3924 -40.4939 14.3924 15.1081 GPRESSAVG: 493800 3.74598 1.88013 -39.9664 0.508643 19.1861 14.0023 -39.7228 15.0432 15.1806 TIMING: 493800 CPU: 1434.12, 0.0028972/step Wall: 1434.12, 0.0028972/step, 3.62649 hours remaining, 204.660156 MB of memory in use. ENERGY: 493800 805.2445 2122.1089 1971.1024 109.6798 -206373.5832 17937.8809 0.0000 0.0000 34182.6169 -149244.9497 298.5253 -183427.5666 -149149.0953 298.7367 -68.9497 -34.4655 557177.2526 12.6255 12.7042 PRESSURE: 494000 -203.824 -48.2496 0.285378 -48.2481 -327.9 -75.1858 0.285047 -75.1874 -231.336 GPRESSURE: 494000 -177.815 -20.3167 39.1329 -79.204 -315.254 -44.4996 4.49666 -58.1626 -184.708 PRESSAVG: 494000 22.3806 17.697 -27.335 17.697 -96.3131 34.2609 -27.335 34.261 61.8256 GPRESSAVG: 494000 20.413 17.8474 -28.7074 18.6392 -96.322 33.6455 -27.1565 34.0979 63.4855 TIMING: 494000 CPU: 1434.7, 0.00290022/step Wall: 1434.7, 0.00290022/step, 3.63011 hours remaining, 204.660156 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: 494000 736.7857 2156.3847 1958.0510 118.7783 -205889.4539 17428.8715 0.0000 0.0000 34226.6513 -149263.9314 298.9099 -183490.5827 -149169.0248 299.5611 -254.3533 -225.9257 558727.5117 -4.0356 -4.1412 PRESSURE: 494200 -119.819 8.50637 76.4914 8.50664 -32.1008 -39.6987 76.4918 -39.6985 21.2831 GPRESSURE: 494200 -117.125 16.3699 85.7975 -37.5064 30.9508 12.0067 123.08 -81.3383 49.462 PRESSAVG: 494200 -3.61701 -8.93763 53.2579 -8.93759 21.8828 -4.28433 53.2579 -4.28436 1.55946 GPRESSAVG: 494200 -2.45298 -10.1249 54.0431 -8.49431 22.3437 -3.72277 54.7427 -3.33516 0.522647 TIMING: 494200 CPU: 1435.29, 0.00291752/step Wall: 1435.29, 0.00291752/step, 3.6516 hours remaining, 204.660156 MB of memory in use. ENERGY: 494200 731.4091 2067.3739 1964.3659 109.3404 -206282.2448 17917.0726 0.0000 0.0000 34192.3457 -149300.3374 298.6103 -183492.6830 -149205.0514 299.0870 -43.5456 -12.2374 558086.0026 6.6084 6.8044 PRESSURE: 494400 -109.559 60.7605 16.5981 60.7619 40.4632 -35.9743 16.5991 -35.9756 99.6668 GPRESSURE: 494400 -96.5321 164.757 -50.8562 98.7846 109.153 -12.4825 31.6884 -17.0056 121.673 PRESSAVG: 494400 -24.3949 25.5072 24.9428 25.5072 -83.5657 -41.3638 24.9428 -41.3636 51.8487 GPRESSAVG: 494400 -25.3297 28.0324 26.0345 25.0033 -83.4835 -40.1593 22.8279 -43.0243 52.6305 TIMING: 494400 CPU: 1435.87, 0.00291236/step Wall: 1435.87, 0.00291236/step, 3.64498 hours remaining, 204.660156 MB of memory in use. ENERGY: 494400 731.0926 2133.4353 1963.8935 105.2666 -206630.7218 17853.0688 0.0000 0.0000 34496.1797 -149347.7853 301.2637 -183843.9650 -149252.6802 299.0010 10.1902 44.7647 556705.1251 -18.7040 -18.7275 PRESSURE: 494600 -110.739 80.4227 -73.5171 80.4209 -151.029 -42.6947 -73.5161 -42.6963 127.533 GPRESSURE: 494600 -82.3596 110.852 -157.33 -20.1994 -139.175 -110.599 1.69768 -123.17 185.153 PRESSAVG: 494600 -12.4901 -17.7389 -2.03444 -17.739 -57.7107 28.6567 -2.03441 28.6565 56.3237 GPRESSAVG: 494600 -11.3984 -18.6635 -1.6235 -18.4263 -58.5167 26.7237 -0.998323 31.65 56.6769 TIMING: 494600 CPU: 1436.45, 0.00288818/step Wall: 1436.45, 0.00288818/step, 3.61456 hours remaining, 204.660156 MB of memory in use. ENERGY: 494600 745.3732 2045.2008 1957.4145 108.7419 -206480.3939 17920.3357 0.0000 0.0000 34449.1672 -149254.1605 300.8531 -183703.3277 -149152.3423 299.4276 -44.7449 -12.1274 556651.7209 -4.6257 -4.4127 PRESSURE: 494800 184.28 -95.0453 40.9815 -95.0448 -244.325 44.0079 40.9812 44.0075 -190.369 GPRESSURE: 494800 223.046 -40.6268 21.0771 -139.465 -219.358 51.9545 35.8453 27.3097 -155.924 PRESSAVG: 494800 46.5556 18.9452 -68.6782 18.9452 -106.746 8.15352 -68.6782 8.15352 19.1645 GPRESSAVG: 494800 45.5635 18.882 -72.1185 19.3922 -105.386 7.78664 -69.6886 8.32269 18.8604 TIMING: 494800 CPU: 1437.02, 0.00288798/step Wall: 1437.02, 0.00288798/step, 3.61415 hours remaining, 204.660156 MB of memory in use. ENERGY: 494800 755.8373 2127.0404 1965.0961 94.6690 -206355.8365 17744.5697 0.0000 0.0000 34371.2751 -149297.3489 300.1729 -183668.6240 -149203.4930 299.4014 -83.4716 -50.7453 557270.5534 -13.6753 -13.6540 PRESSURE: 495000 -126.253 141.36 -0.348693 141.359 -82.4079 -121.742 -0.349793 -121.741 -24.2691 GPRESSURE: 495000 -96.3857 38.2435 27.8258 194.409 -67.1004 -95.267 -46.2857 -120.493 27.2639 PRESSAVG: 495000 44.5505 -28.2857 -23.4848 -28.2858 -107.299 2.54194 -23.4849 2.54181 43.9165 GPRESSAVG: 495000 45.3811 -27.4801 -20.5314 -27.0723 -108.295 5.44101 -22.3816 -0.267019 44.7502 TIMING: 495000 CPU: 1437.6, 0.00290581/step Wall: 1437.6, 0.00290581/step, 3.6363 hours remaining, 204.660156 MB of memory in use. ENERGY: 495000 756.5487 2107.7987 1957.0195 117.3139 -206186.9437 17715.2057 0.0000 0.0000 34200.4032 -149332.6541 298.6806 -183533.0573 -149236.0401 299.3355 -77.6432 -45.4074 557468.8162 -6.2774 -6.0546 PRESSURE: 495200 -144.881 -119.275 -169.591 -119.275 109.128 -43.8449 -169.591 -43.8461 -205.658 GPRESSURE: 495200 -56.0888 -108.808 -162.778 -107.106 105.814 -80.2379 -155.811 -63.2478 -195.171 PRESSAVG: 495200 39.402 -11.8633 -18.2923 -11.8633 29.0131 28.6343 -18.2923 28.6344 -10.7326 GPRESSAVG: 495200 39.4633 -12.5481 -18.8889 -12.9899 29.6541 28.2078 -18.4401 27.5875 -12.1085 TIMING: 495200 CPU: 1438.18, 0.00290051/step Wall: 1438.18, 0.00290051/step, 3.6295 hours remaining, 204.660156 MB of memory in use. ENERGY: 495200 784.5402 2086.9798 1989.4909 118.3349 -206500.1547 17801.2360 0.0000 0.0000 34296.3393 -149423.2334 299.5185 -183719.5727 -149326.6143 299.8984 -80.4702 -48.4819 556886.3132 19.2275 19.0030 PRESSURE: 495400 -75.6508 -14.0786 99.611 -14.0782 -58.4985 79.1362 99.6113 79.1374 32.2764 GPRESSURE: 495400 -40.6343 53.0887 109.785 -34.3348 -1.46115 97.6715 97.0978 29.8453 36.2128 PRESSAVG: 495400 20.0864 -20.7303 -25.9963 -20.7304 -9.07699 -52.9457 -25.9963 -52.9457 -33.8814 GPRESSAVG: 495400 19.1727 -21.5436 -27.8482 -21.1431 -9.18271 -53.4492 -24.0512 -51.3473 -33.1045 TIMING: 495400 CPU: 1438.77, 0.00291727/step Wall: 1438.77, 0.00291727/step, 3.65032 hours remaining, 204.660156 MB of memory in use. ENERGY: 495400 737.9232 2127.5979 2008.2633 109.4478 -206213.2492 17606.4877 0.0000 0.0000 34300.6147 -149322.9145 299.5558 -183623.5293 -149221.1004 299.0883 -33.9576 -1.9609 555815.9319 -7.6240 -7.7048 PRESSURE: 495600 -88.0447 -52.2442 53.3946 -52.2435 -8.50512 -78.1511 53.3947 -78.1524 190.195 GPRESSURE: 495600 -85.9289 -145.225 64.5126 38.5333 15.3078 -87.0089 57.3932 -53.0215 268.9 PRESSAVG: 495600 5.20701 17.5164 64.59 17.5164 18.5968 20.5589 64.59 20.5589 -10.2362 GPRESSAVG: 495600 5.69573 16.5817 66.8837 19.139 17.8628 19.73 62.1762 20.7437 -9.90724 TIMING: 495600 CPU: 1439.35, 0.0029062/step Wall: 1439.35, 0.0029062/step, 3.6363 hours remaining, 204.660156 MB of memory in use. ENERGY: 495600 717.0593 2129.2910 1977.0288 107.7095 -206219.9306 17833.1830 0.0000 0.0000 34299.4308 -149156.2283 299.5455 -183455.6591 -149059.5010 299.3774 31.2151 66.0929 557022.7938 4.5225 4.5504 PRESSURE: 495800 -38.6426 -27.7823 -71.1494 -27.7824 -179.685 -10.7885 -71.15 -10.7892 -127.537 GPRESSURE: 495800 24.4445 -58.3018 -49.5541 -4.85849 -139.771 62.8825 -63.4692 -41.0839 -118.466 PRESSAVG: 495800 -47.204 38.3313 23.4391 38.3313 -11.2613 -25.0761 23.4391 -25.0761 22.874 GPRESSAVG: 495800 -47.0538 39.8594 21.4571 38.4474 -12.0879 -24.8376 23.2349 -26.5963 22.9575 TIMING: 495800 CPU: 1439.93, 0.00291191/step Wall: 1439.93, 0.00291191/step, 3.64329 hours remaining, 204.660156 MB of memory in use. ENERGY: 495800 725.7394 2151.8435 1972.0060 115.7836 -206063.6254 17616.3682 0.0000 0.0000 34312.1577 -149169.7269 299.6566 -183481.8846 -149076.8478 299.6207 -115.2880 -77.9308 557011.2355 -11.8638 -12.0614 PRESSURE: 496000 -102.975 -71.015 -214.321 -71.0156 -7.98143 -115.258 -214.321 -115.259 121.463 GPRESSURE: 496000 -28.0363 -48.817 -238.435 -57.4221 21.8428 -77.2196 -205.224 -211.501 117.536 PRESSAVG: 496000 29.0893 -31.0021 10.7148 -31.0021 -0.906659 -21.867 10.7148 -21.867 -15.267 GPRESSAVG: 496000 29.7219 -31.3109 12.6563 -32.0495 0.312725 -24.0176 9.48358 -18.4268 -16.7264 TIMING: 496000 CPU: 1440.51, 0.00288255/step Wall: 1440.51, 0.00288255/step, 3.60639 hours remaining, 204.660156 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: 496000 720.2749 2120.4962 1975.5191 119.9120 -206015.1069 17702.6189 0.0000 0.0000 34248.0775 -149128.2083 299.0970 -183376.2857 -149031.1069 299.9722 3.5024 37.1143 555951.7198 4.3052 4.4361 PRESSURE: 496200 38.1875 120.425 -22.5081 120.425 -180.828 98.8246 -22.5067 98.8256 -116.545 GPRESSURE: 496200 27.9619 110.23 19.3475 87.9634 -147.653 116.716 17.6392 82.1877 -54.0849 PRESSAVG: 496200 3.80438 -2.07962 -37.9774 -2.07959 31.3947 -18.7325 -37.9773 -18.7326 -4.03357 GPRESSAVG: 496200 4.1377 -1.47871 -39.1433 -2.41134 31.0546 -16.0127 -36.5238 -20.4506 -3.22148 TIMING: 496200 CPU: 1441.09, 0.0029067/step Wall: 1441.09, 0.0029067/step, 3.63644 hours remaining, 204.660156 MB of memory in use. ENERGY: 496200 792.8687 2100.8912 1963.0098 111.1487 -206338.1672 17747.1789 0.0000 0.0000 34494.4744 -149128.5956 301.2488 -183623.0699 -149033.9608 299.9287 -86.3952 -57.9252 555993.3054 10.3885 10.6569 LDB: ============= START OF LOAD BALANCING ============== 1444.55 LDB: ============== END OF LOAD BALANCING =============== 1444.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1444.55 LDB: ============= START OF LOAD BALANCING ============== 1444.84 LDB: Largest compute 4820 load 0.027407 is 23.3% of average load 0.117595 LDB: Average compute 0.001734 is 1.5% of average load 0.117595 LDB: TIME 1444.84 LOAD: AVG 0.117595 MAX 0.177491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.977 MB LDB: TIME 1444.84 LOAD: AVG 0.117595 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 1444.84 LOAD: AVG 0.117595 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: ============== END OF LOAD BALANCING =============== 1444.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1444.85 PRESSURE: 496400 -180.007 -92.5764 -98.9712 -92.5766 -16.6687 -1.94588 -98.9709 -1.94494 78.3652 GPRESSURE: 496400 -161.878 20.1823 -16.8524 -154.738 42.157 -13.4671 -198.061 68.1494 95.083 PRESSAVG: 496400 7.95428 -31.2481 18.2167 -31.248 53.945 -11.8762 18.2167 -11.8762 -87.072 GPRESSAVG: 496400 8.50459 -33.7757 18.1978 -29.0536 53.2316 -11.6095 16.9827 -11.0478 -86.3091 TIMING: 496400 CPU: 1441.68, 0.00293233/step Wall: 1441.68, 0.00293233/step, 3.66835 hours remaining, 204.164062 MB of memory in use. ENERGY: 496400 762.1706 2062.7480 2003.6179 121.9225 -206361.0682 17881.6904 0.0000 0.0000 34409.8864 -149119.0323 300.5101 -183528.9188 -149017.2237 299.8150 -39.4368 -8.2126 556783.4928 -8.3909 -8.1910 PRESSURE: 496600 -185.322 -45.0342 48.9354 -45.035 -279.438 -11.735 48.9352 -11.7352 45.3846 GPRESSURE: 496600 -135.267 3.99344 67.0149 -85.3961 -234.277 11.1012 116.455 -27.4236 55.4977 PRESSAVG: 496600 20.5538 -15.278 -19.7968 -15.278 -8.86367 -55.5007 -19.7967 -55.5007 3.66282 GPRESSAVG: 496600 20.58 -14.1496 -19.3144 -17.891 -9.47967 -55.3528 -20.4242 -57.1369 4.4553 TIMING: 496600 CPU: 1442.25, 0.00288468/step Wall: 1442.25, 0.00288468/step, 3.60858 hours remaining, 204.363281 MB of memory in use. ENERGY: 496600 736.8092 2153.4848 1966.8601 110.4633 -206044.8063 17483.0039 0.0000 0.0000 34499.3267 -149094.8584 301.2912 -183594.1851 -148992.9748 299.6500 -139.7919 -104.6821 555628.8324 5.1176 5.1852 PRESSURE: 496800 -74.2789 136.171 -257.589 136.172 -199.316 -58.1501 -257.589 -58.1508 -73.7979 GPRESSURE: 496800 -55.4578 139.119 -294.207 128.175 -155.86 -69.0639 -272.53 -79.4773 -27.0354 PRESSAVG: 496800 -11.5057 -21.9251 -17.6659 -21.925 61.9481 -19.9084 -17.6659 -19.9086 -41.4748 GPRESSAVG: 496800 -12.8607 -20.1836 -18.4086 -21.0966 64.0947 -19.1401 -15.1418 -21.8795 -42.6185 TIMING: 496800 CPU: 1442.83, 0.00289739/step Wall: 1442.83, 0.00289739/step, 3.62432 hours remaining, 204.363281 MB of memory in use. ENERGY: 496800 755.2746 2143.2806 1974.5609 123.4777 -206381.3717 17779.4156 0.0000 0.0000 34278.0696 -149327.2928 299.3589 -183605.3624 -149238.5835 299.3855 -115.7977 -79.4512 557503.7515 2.9892 2.8718 PRESSURE: 497000 -208.205 -47.8813 -107.14 -47.8818 -73.6099 70.7017 -107.139 70.7019 -227.813 GPRESSURE: 497000 -164.057 -75.525 -92.0257 -21.7387 -58.8168 4.83758 -72.3744 71.4988 -190.306 PRESSAVG: 497000 -44.3457 20.1352 -92.4353 20.1351 -31.8661 46.7318 -92.4353 46.7316 70.349 GPRESSAVG: 497000 -44.4812 21.5643 -93.3455 19.6995 -32.23 44.1977 -92.2988 48.6571 70.5725 TIMING: 497000 CPU: 1443.41, 0.00289969/step Wall: 1443.41, 0.00289969/step, 3.62703 hours remaining, 204.363281 MB of memory in use. ENERGY: 497000 732.2393 2085.4914 1972.2673 121.0087 -206151.2890 17702.4375 0.0000 0.0000 34215.7053 -149322.1396 298.8143 -183537.8449 -149222.2299 299.1904 -169.8762 -137.7266 557791.9800 -1.9543 -2.0462 PRESSURE: 497200 -133.517 -121.063 181.507 -121.062 -207.777 -203.579 181.508 -203.58 -46.212 GPRESSURE: 497200 -123.195 -111.001 209.512 -157.513 -192.512 -198.819 214.823 -137.815 25.3234 PRESSAVG: 497200 10.251 -63.1357 9.9902 -63.1358 14.0048 49.4856 9.99023 49.4855 -54.2394 GPRESSAVG: 497200 10.4857 -64.4505 11.065 -63.2915 13.4341 49.2053 9.53741 50.0351 -54.2203 TIMING: 497200 CPU: 1443.99, 0.00287569/step Wall: 1443.99, 0.00287569/step, 3.59685 hours remaining, 204.363281 MB of memory in use. ENERGY: 497200 772.0109 2048.3971 1961.1283 117.6127 -206048.6651 17659.8847 0.0000 0.0000 34295.6032 -149194.0282 299.5120 -183489.6315 -149093.1862 299.0890 -129.1687 -96.7944 557990.3861 -9.9945 -10.1001 PRESSURE: 497400 254.583 -55.2682 157.974 -55.2674 146.65 26.4578 157.974 26.4564 153.825 GPRESSURE: 497400 330.532 -76.0682 186.37 24.1002 171.201 43.3581 180.053 67.2474 154.602 PRESSAVG: 497400 50.559 -6.3366 52.031 -6.3365 -44.6863 -11.3036 52.0311 -11.3037 -41.5227 GPRESSAVG: 497400 51.3241 -7.33878 51.438 -8.27353 -45.2879 -11.068 51.9086 -10.7418 -41.7356 TIMING: 497400 CPU: 1444.57, 0.0028994/step Wall: 1444.57, 0.0028994/step, 3.62634 hours remaining, 204.363281 MB of memory in use. ENERGY: 497400 709.8337 2072.5661 1990.0745 121.3334 -206511.8722 18051.3352 0.0000 0.0000 34426.5287 -149140.2007 300.6554 -183566.7293 -149037.3507 299.1359 185.0197 218.7783 556379.3096 -11.8834 -11.8998 PRESSURE: 497600 235.357 69.2691 -261.011 69.2694 5.80367 124.038 -261.011 124.037 -97.2224 GPRESSURE: 497600 309.011 58.6795 -263.153 62.133 1.74097 124.245 -239.511 176.541 -60.6584 PRESSAVG: 497600 129.097 -22.8476 -35.0368 -22.8475 -56.0904 44.8239 -35.0368 44.824 -85.2114 GPRESSAVG: 497600 129.268 -22.6413 -32.9249 -21.336 -55.8372 44.3477 -36.6316 45.4363 -86.0044 TIMING: 497600 CPU: 1445.15, 0.00290741/step Wall: 1445.15, 0.00290741/step, 3.63621 hours remaining, 204.363281 MB of memory in use. ENERGY: 497600 757.1344 2110.5075 2003.7673 108.0216 -205979.9172 17738.3539 0.0000 0.0000 34170.7099 -149091.4224 298.4213 -183262.1323 -149002.1277 299.7040 47.9794 83.3645 556611.4481 -4.0683 -4.1914 PRESSURE: 497800 276.098 106.728 169.199 106.727 162.169 -8.29323 169.2 -8.29401 -172.573 GPRESSURE: 497800 354.602 96.7753 104.855 48.3522 193.889 13.5885 224.443 10.2924 -188.345 PRESSAVG: 497800 25.1422 9.01465 20.4941 9.0147 -16.0763 47.888 20.4941 47.888 -31.794 GPRESSAVG: 497800 24.1703 7.56024 17.9566 10.4411 -15.0807 48.4904 22.0535 46.1298 -31.9725 TIMING: 497800 CPU: 1445.73, 0.00290998/step Wall: 1445.73, 0.00290998/step, 3.63925 hours remaining, 204.363281 MB of memory in use. ENERGY: 497800 727.9940 2104.5046 1974.9879 117.2102 -206206.5301 18154.8319 0.0000 0.0000 34166.8048 -148960.1968 298.3872 -183127.0016 -148869.9817 299.7105 88.5647 120.0489 558550.7164 -7.5760 -7.6276 PRESSURE: 498000 -52.9025 -103.043 69.616 -103.043 159.411 19.4411 69.6162 19.441 -112.728 GPRESSURE: 498000 -32.9511 -44.2486 -17.0409 -189.919 159.854 27.2028 93.1674 5.40475 -43.7697 PRESSAVG: 498000 79.7367 34.7826 -9.96802 34.7826 79.0505 -9.05194 -9.96813 -9.05192 -105.767 GPRESSAVG: 498000 78.7721 35.7318 -10.4143 33.736 78.4037 -9.56228 -12.1282 -5.85058 -104.327 TIMING: 498000 CPU: 1446.31, 0.00288625/step Wall: 1446.31, 0.00288625/step, 3.60942 hours remaining, 204.363281 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: 498000 757.8580 2133.7411 1960.9905 113.5513 -206348.9998 17911.3077 0.0000 0.0000 34354.2539 -149117.2974 300.0242 -183471.5513 -149022.3870 299.2762 -2.0731 27.7111 558150.3579 17.6735 17.6162 PRESSURE: 498200 38.1287 -21.9716 84.3514 -21.9727 -134.744 -71.1647 84.3515 -71.1652 -121.789 GPRESSURE: 498200 44.8397 -37.3117 10.6249 -30.7627 -50.1656 -58.8018 124.644 -33.6481 -114.092 PRESSAVG: 498200 9.60108 -30.3485 42.1676 -30.3485 28.6975 9.31012 42.1675 9.31008 -61.9432 GPRESSAVG: 498200 11.0184 -29.8442 44.348 -32.4357 28.5227 10.7055 42.5528 5.76588 -62.9363 TIMING: 498200 CPU: 1446.88, 0.00288346/step Wall: 1446.88, 0.00288346/step, 3.60577 hours remaining, 204.363281 MB of memory in use. ENERGY: 498200 725.2112 2119.6011 1969.4887 121.0256 -206043.5644 17630.9949 0.0000 0.0000 34229.6930 -149247.5500 298.9364 -183477.2430 -149149.4349 299.1500 -72.8014 -39.8060 557257.2104 -7.8815 -7.7984 PRESSURE: 498400 -264.274 41.3643 121.802 41.3638 -213.276 -86.8018 121.802 -86.8013 -121.639 GPRESSURE: 498400 -279.169 -50.9196 95.0413 90.6732 -146.609 -98.1424 116.294 -12.4167 -81.4741 PRESSAVG: 498400 -19.6763 -0.238678 -16.6181 -0.238681 35.5587 16.892 -16.6181 16.892 -58.1086 GPRESSAVG: 498400 -19.9076 -1.54529 -16.4839 1.19517 35.4236 16.361 -16.5979 18.8244 -58.1431 TIMING: 498400 CPU: 1447.46, 0.00289458/step Wall: 1447.46, 0.00289458/step, 3.61951 hours remaining, 204.566406 MB of memory in use. ENERGY: 498400 747.8171 2161.9840 1970.3041 122.1524 -205962.2257 17660.0617 0.0000 0.0000 34156.9218 -149142.9845 298.3009 -183299.9063 -149060.1976 299.0667 -199.7295 -169.0840 557258.8980 -14.0754 -14.2091 PRESSURE: 498600 158.322 -213.598 -85.9874 -213.599 161.537 -138.014 -85.9882 -138.014 -132.872 GPRESSURE: 498600 175.039 -255.43 -55.6886 -189.778 196.172 -114.407 -2.63386 -123.036 -84.817 PRESSAVG: 498600 22.2946 -1.21182 -24.0301 -1.21178 -6.34548 -29.573 -24.0301 -29.5729 11.6084 GPRESSAVG: 498600 22.1381 -0.880281 -23.3542 -0.854465 -6.4766 -30.6409 -25.0729 -29.6725 11.9407 TIMING: 498600 CPU: 1448.04, 0.00289321/step Wall: 1448.04, 0.00289321/step, 3.61764 hours remaining, 204.566406 MB of memory in use. ENERGY: 498600 752.1652 2147.5407 1970.7319 115.5075 -206300.2112 17839.5883 0.0000 0.0000 34241.5884 -149233.0891 299.0403 -183474.6774 -149137.7223 298.9453 62.3293 95.4646 556648.2931 9.1858 9.2007 PRESSURE: 498800 21.8716 -190.131 115.159 -190.131 -189.585 125.404 115.16 125.404 -168.266 GPRESSURE: 498800 -3.19048 -221.398 81.3036 -116.046 -114.82 135.247 168.862 115.629 -130.063 PRESSAVG: 498800 33.1427 -0.0812503 9.54995 -0.0812636 -53.2365 1.43463 9.54986 1.43451 51.3018 GPRESSAVG: 498800 33.0393 -1.6742 8.84433 0.267642 -52.8585 1.39394 11.0567 0.75051 50.6671 TIMING: 498800 CPU: 1448.62, 0.00291137/step Wall: 1448.62, 0.00291137/step, 3.64018 hours remaining, 204.566406 MB of memory in use. ENERGY: 498800 733.1726 2089.3656 1998.2488 112.4669 -205986.9293 17658.3719 0.0000 0.0000 34276.5429 -149118.7606 299.3456 -183395.3035 -149013.8422 299.5323 -111.9932 -82.6910 558248.5509 10.4027 10.2827 PRESSURE: 499000 323.329 150.788 -15.1639 150.787 21.704 144.418 -15.1644 144.416 386.118 GPRESSURE: 499000 321.3 72.7312 15.0561 212.998 75.4753 182.647 40.9006 83.1963 434.463 PRESSAVG: 499000 -21.7443 46.1126 41.2561 46.1126 11.9197 22.0378 41.2561 22.0376 29.7028 GPRESSAVG: 499000 -20.4029 46.8322 40.5699 45.5073 11.2171 21.7177 41.1165 22.5148 29.2351 TIMING: 499000 CPU: 1449.2, 0.00289364/step Wall: 1449.2, 0.00289364/step, 3.61785 hours remaining, 204.566406 MB of memory in use. ENERGY: 499000 723.2956 2084.1882 1982.3521 115.2534 -206636.3667 18169.6267 0.0000 0.0000 34379.7270 -149181.9236 300.2467 -183561.6507 -149089.2325 299.0562 243.7170 277.0794 557784.5758 6.6261 6.6831 PRESSURE: 499200 -345.413 84.2624 -39.7312 84.2622 -392.941 -19.5404 -39.7309 -19.5417 -227.086 GPRESSURE: 499200 -280.036 131.234 7.67558 131.113 -354.726 -69.8778 -84.1094 -14.4284 -237.363 PRESSAVG: 499200 -17.3173 -9.58887 -30.9483 -9.58881 -5.41476 3.51423 -30.9483 3.51419 36.2455 GPRESSAVG: 499200 -19.041 -11.2916 -30.398 -8.64321 -4.65684 4.96138 -31.0213 2.92525 37.4774 TIMING: 499200 CPU: 1449.78, 0.00289193/step Wall: 1449.78, 0.00289193/step, 3.61555 hours remaining, 204.566406 MB of memory in use. ENERGY: 499200 749.5102 2134.9050 1977.2887 119.1597 -205638.6972 17452.8815 0.0000 0.0000 34091.5031 -149113.4489 297.7296 -183204.9520 -149010.6442 299.5280 -321.8134 -290.7083 561340.9846 4.5045 4.5932 PRESSURE: 499400 106.217 149.955 -74.8643 149.956 24.8182 -173.681 -74.8645 -173.681 -331.733 GPRESSURE: 499400 53.9207 111.39 -107.923 225.542 72.1221 -217.679 -99.8795 -159.077 -243.759 PRESSAVG: 499400 46.0962 7.2566 -51.9595 7.25655 -26.6175 45.3246 -51.9595 45.3246 -24.5025 GPRESSAVG: 499400 46.4836 8.35819 -53.2262 7.37341 -26.4487 42.6232 -52.518 47.6079 -25.3921 TIMING: 499400 CPU: 1450.37, 0.0029314/step Wall: 1450.37, 0.0029314/step, 3.66474 hours remaining, 204.566406 MB of memory in use. ENERGY: 499400 759.2795 2148.0675 1963.4314 106.7112 -206136.3197 17792.3071 0.0000 0.0000 34377.5005 -148989.0225 300.2273 -183366.5231 -148885.5123 299.8706 -66.8992 -39.2388 558125.5545 -1.6746 -1.7857 PRESSURE: 499600 164.772 182.531 82.0325 182.532 130.604 60.7784 82.0336 60.7781 -114.296 GPRESSURE: 499600 158.869 147.916 69.1425 189.682 171.528 -35.6605 10.4733 116.079 -51.9815 PRESSAVG: 499600 21.5655 25.3005 -1.14547 25.3004 52.5733 0.837945 -1.14544 0.837964 -69.391 GPRESSAVG: 499600 23.2465 26.8544 -0.990071 24.2731 51.4885 0.990109 -2.30178 -1.33766 -69.8219 TIMING: 499600 CPU: 1450.95, 0.00289339/step Wall: 1450.95, 0.00289339/step, 3.61705 hours remaining, 204.566406 MB of memory in use. ENERGY: 499600 760.8728 2139.7882 1953.9366 127.0135 -206288.5160 17908.9407 0.0000 0.0000 34323.9597 -149074.0045 299.7597 -183397.9642 -148974.1414 299.5605 60.3600 92.8053 556537.2162 1.5826 1.6377 PRESSURE: 499800 -202.431 -212.192 -18.7751 -212.19 175.97 -166.999 -18.7735 -166.998 -197.21 GPRESSURE: 499800 -81.4902 -217.029 -60.1942 -207.203 120.95 -129.377 74.8598 -103.012 -165.824 PRESSAVG: 499800 95.521 37.9672 6.88669 37.9672 -10.1308 -20.1635 6.88669 -20.1635 -61.7217 GPRESSAVG: 499800 94.6444 36.831 6.92266 38.2089 -10.1701 -20.5881 8.21121 -17.4019 -60.7737 TIMING: 499800 CPU: 1451.53, 0.00289435/step Wall: 1451.53, 0.00289435/step, 3.6181 hours remaining, 204.566406 MB of memory in use. ENERGY: 499800 770.6444 2097.9817 2000.1487 112.6303 -205951.0700 17789.5822 0.0000 0.0000 34111.1977 -149068.8850 297.9016 -183180.0828 -148977.1903 299.6901 -74.5570 -42.1215 558692.9857 7.8895 7.9002 PRESSURE: 500000 -80.4133 -9.40079 76.4461 -9.402 -126.09 -177.581 76.446 -177.582 242.608 GPRESSURE: 500000 -1.70914 97.5288 53.7031 -17.7 -142.832 -41.4522 130.125 -302.335 263.285 PRESSAVG: 500000 -9.48177 11.139 29.9816 11.139 -6.82153 -17.8257 29.9815 -17.8256 -29.1964 GPRESSAVG: 500000 -9.12653 12.4576 29.8156 11.2478 -7.1336 -16.3491 30.226 -19.6909 -29.0883 TIMING: 500000 CPU: 1452.1, 0.00289709/step Wall: 1452.1, 0.00289709/step, 3.62137 hours remaining, 204.566406 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: 500000 744.8644 2146.1813 1962.1995 114.7064 -206063.2294 17708.2393 0.0000 0.0000 34421.1689 -148965.8696 300.6086 -183387.0385 -148867.3458 300.3081 12.0347 39.5816 557819.2640 -15.1666 -15.1161 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.080 seconds, 204.566 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.059 seconds, 204.566 MB of memory in use PRESSURE: 500200 39.1139 -61.2825 -15.6776 -61.283 13.9313 -164.393 -15.6782 -164.393 -308.015 GPRESSURE: 500200 26.5792 -77.4574 -19.3139 -58.2086 62.8778 -161.016 -18.1599 -156.777 -258.168 PRESSAVG: 500200 -43.6958 -1.745 -15.8835 -1.74494 11.4707 -57.1459 -15.8835 -57.146 -19.1266 GPRESSAVG: 500200 -44.4693 -0.917966 -15.1383 -2.54082 12.0355 -57.1104 -15.7239 -58.5471 -19.2508 TIMING: 500200 CPU: 1452.9, 0.00395392/step Wall: 1452.9, 0.00395392/step, 4.94218 hours remaining, 204.566406 MB of memory in use. ENERGY: 500200 737.7812 2128.0384 1976.3726 140.9966 -206107.7241 17693.4402 0.0000 0.0000 34379.8638 -149051.2312 300.2479 -183431.0950 -148950.5951 299.1971 -84.9899 -56.2370 559407.9666 -17.1172 -17.2282 LDB: ============= START OF LOAD BALANCING ============== 1456.36 LDB: ============== END OF LOAD BALANCING =============== 1456.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1456.36 LDB: ============= START OF LOAD BALANCING ============== 1456.65 LDB: Largest compute 4820 load 0.027153 is 23.1% of average load 0.117564 LDB: Average compute 0.001726 is 1.5% of average load 0.117564 LDB: TIME 1456.66 LOAD: AVG 0.117564 MAX 0.178766 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.207 MB LDB: TIME 1456.66 LOAD: AVG 0.117564 MAX 0.178766 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: TIME 1456.66 LOAD: AVG 0.117564 MAX 0.178766 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1456.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1456.66 PRESSURE: 500400 112.59 -49.7852 -82.0751 -49.785 28.1587 -52.9886 -82.0748 -52.9886 189.53 GPRESSURE: 500400 168.277 -75.581 -59.8318 -22.3135 62.7331 -111.251 -137.408 27.1257 208.038 PRESSAVG: 500400 17.327 -39.0079 -21.9639 -39.0079 -9.59584 -40.7557 -21.9639 -40.7558 39.3611 GPRESSAVG: 500400 17.0053 -37.9767 -22.3328 -39.0941 -10.3494 -40.8123 -21.4764 -40.8376 40.3231 TIMING: 500400 CPU: 1453.49, 0.00295497/step Wall: 1453.49, 0.00295497/step, 3.69339 hours remaining, 204.363281 MB of memory in use. ENERGY: 500400 762.0331 2102.4012 1949.7937 101.2590 -206505.9520 18160.6028 0.0000 0.0000 34208.0351 -149221.8271 298.7473 -183429.8622 -149118.1549 299.3208 110.0930 146.3494 557416.7332 15.6974 15.6596 PRESSURE: 500600 -27.2947 -50.4705 23.3245 -50.4703 40.5269 75.8509 23.3231 75.8522 -12.347 GPRESSURE: 500600 12.2541 -71.5777 31.8321 -31.4412 35.5734 95.4948 49.0122 57.6434 47.0102 PRESSAVG: 500600 -1.43802 -5.7918 -4.00239 -5.79182 -12.3094 -27.189 -4.00247 -27.189 -1.44762 GPRESSAVG: 500600 -0.134838 -9.88672 -4.1726 -2.01105 -11.8643 -28.1687 -3.64351 -26.3495 -3.27326 TIMING: 500600 CPU: 1454.07, 0.00289533/step Wall: 1454.07, 0.00289533/step, 3.61868 hours remaining, 204.363281 MB of memory in use. ENERGY: 500600 744.7159 2151.3100 2003.1165 122.0870 -206191.1053 17705.7730 0.0000 0.0000 34313.3656 -149150.7374 299.6672 -183464.1029 -149059.8235 299.6515 0.2951 31.6126 556795.5818 -5.0650 -5.0908 PRESSURE: 500800 -206.963 181.083 38.0718 181.083 -15.4379 -69.5154 38.0719 -69.5164 123.169 GPRESSURE: 500800 -111.481 185.135 48.1158 224.111 14.9449 -45.5996 27.6855 6.62962 81.5657 PRESSAVG: 500800 -26.1723 15.9446 27.9089 15.9447 68.1646 -28.595 27.9089 -28.5948 1.89167 GPRESSAVG: 500800 -27.9374 18.6596 26.356 12.7806 68.9021 -27.1281 28.8046 -28.0921 2.94447 TIMING: 500800 CPU: 1454.64, 0.00288787/step Wall: 1454.64, 0.00288787/step, 3.60919 hours remaining, 204.363281 MB of memory in use. ENERGY: 500800 787.8081 2157.9404 1969.1853 111.9642 -206226.8287 17796.9960 0.0000 0.0000 34389.0168 -149013.9179 300.3278 -183402.9347 -148916.2660 300.0362 -33.0771 -4.9903 556970.7818 14.6280 14.6364 PRESSURE: 501000 58.0018 47.7601 -124.599 47.7591 -207.856 61.6831 -124.599 61.6815 -64.2434 GPRESSURE: 501000 121.312 -10.3404 -149.285 14.5296 -169.864 50.0415 -36.0365 107.17 -67.2333 PRESSAVG: 501000 -36.004 -6.58689 -32.4205 -6.58696 36.8235 -48.3247 -32.4205 -48.3248 -14.9355 GPRESSAVG: 501000 -34.9492 -6.60138 -28.6324 -5.80796 35.6484 -50.9799 -34.6439 -48.2849 -14.7858 TIMING: 501000 CPU: 1455.22, 0.00288566/step Wall: 1455.22, 0.00288566/step, 3.60627 hours remaining, 204.363281 MB of memory in use. ENERGY: 501000 754.1535 2104.1606 1977.4869 107.6873 -205831.6235 17636.6633 0.0000 0.0000 34178.8253 -149072.6465 298.4922 -183251.4718 -148975.7082 299.8214 -71.3658 -38.5951 557313.7327 -4.7053 -4.6955 PRESSURE: 501200 -113.758 79.7718 -34.9811 79.773 -94.0285 47.7992 -34.9804 47.7985 58.5931 GPRESSURE: 501200 -58.2632 114.739 -142.215 16.4807 -78.5952 100.96 -61.83 -10.4133 74.9375 PRESSAVG: 501200 -57.0265 48.0217 -8.77198 48.0218 44.4838 -89.7343 -8.77199 -89.7343 50.7076 GPRESSAVG: 501200 -56.0113 48.608 -13.0812 46.0991 44.4536 -85.8306 -7.66752 -90.6147 50.0182 TIMING: 501200 CPU: 1455.8, 0.00287602/step Wall: 1455.8, 0.00287602/step, 3.59406 hours remaining, 204.363281 MB of memory in use. ENERGY: 501200 751.3049 2148.9480 1956.0165 104.8681 -206206.2089 17883.8620 0.0000 0.0000 34405.7435 -148955.4660 300.4739 -183361.2095 -148854.1625 299.3508 -49.7310 -20.6403 557809.5635 12.7216 12.8202 PRESSURE: 501400 -168.235 -0.96508 47.2588 -0.966549 -115.554 -102.806 47.2601 -102.806 61.1216 GPRESSURE: 501400 -125.497 -84.2105 47.6918 -34.1697 -114.82 14.1109 105.293 -71.243 111.324 PRESSAVG: 501400 -5.06571 14.9163 -51.956 14.9163 -3.16733 -68.4207 -51.956 -68.4208 23.6375 GPRESSAVG: 501400 -5.82337 15.4669 -49.9416 16.598 -2.53299 -69.428 -51.6359 -69.0055 24.2445 TIMING: 501400 CPU: 1456.37, 0.00286589/step Wall: 1456.37, 0.00286589/step, 3.58125 hours remaining, 204.363281 MB of memory in use. ENERGY: 501400 756.9098 2090.2538 1958.0103 122.9241 -205714.3013 17666.3366 0.0000 0.0000 33962.7667 -149157.1001 296.6053 -183119.8668 -149060.2212 299.6823 -74.2222 -42.9976 558326.3808 5.1348 5.2961 PRESSURE: 501600 107.316 -56.6039 -173.73 -56.6037 18.4304 -36.6355 -173.73 -36.6338 323.189 GPRESSURE: 501600 170.272 21.6356 -20.9313 -18.1404 90.2267 -162.668 -121.977 0.519242 291.355 PRESSAVG: 501600 -0.523075 26.2708 -9.42316 26.2707 10.819 -32.6214 -9.42311 -32.6215 -35.9938 GPRESSAVG: 501600 -0.240848 23.9585 -10.0381 28.2212 10.6456 -33.8899 -7.30194 -31.8547 -36.2245 TIMING: 501600 CPU: 1456.95, 0.00289727/step Wall: 1456.95, 0.00289727/step, 3.6203 hours remaining, 204.363281 MB of memory in use. ENERGY: 501600 738.8061 2063.3372 1965.8111 108.1485 -206656.5928 18121.9936 0.0000 0.0000 34531.5209 -149126.9754 301.5724 -183658.4963 -149028.4119 298.7552 149.6450 183.9512 557219.9463 -8.5659 -8.6066 PRESSURE: 501800 -128.646 139.844 11.2587 139.845 180.601 -227.793 11.2576 -227.795 198.187 GPRESSURE: 501800 -140.796 192.655 13.6289 12.3216 252.335 -125.829 -23.1517 -159.417 242.799 PRESSAVG: 501800 -31.4866 35.4729 34.1891 35.473 56.0822 -63.3953 34.1891 -63.3952 35.8395 GPRESSAVG: 501800 -32.4004 37.0613 32.4131 33.6145 56.9371 -62.6298 31.827 -64.6941 36.3803 TIMING: 501800 CPU: 1457.53, 0.00288699/step Wall: 1457.53, 0.00288699/step, 3.60729 hours remaining, 204.363281 MB of memory in use. ENERGY: 501800 756.4430 2095.2928 1966.8067 124.3025 -206505.9476 17944.8944 0.0000 0.0000 34367.3936 -149250.8146 300.1390 -183618.2082 -149154.0427 299.2247 83.3807 118.1127 557293.5859 20.1450 20.3057 PRESSURE: 502000 67.488 191.955 8.18736 191.954 95.0908 202.684 8.18865 202.685 59.9182 GPRESSURE: 502000 78.4674 168.74 -6.90541 257.449 110.06 172.03 -8.37185 250.947 131.526 PRESSAVG: 502000 19.9559 79.5147 4.10255 79.5146 27.1661 19.1715 4.10255 19.1715 -46.1834 GPRESSAVG: 502000 19.9651 79.0546 4.9085 80.141 26.8482 17.9068 6.19434 21.3199 -45.9518 TIMING: 502000 CPU: 1458.1, 0.00286551/step Wall: 1458.1, 0.00286551/step, 3.5803 hours remaining, 204.363281 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: 502000 775.5572 2087.0273 1988.6433 104.4382 -206280.0472 17990.1945 0.0000 0.0000 34066.3665 -149267.8204 297.5101 -183334.1869 -149166.5976 298.4655 74.1657 106.6844 558044.0460 0.3129 0.2872 PRESSURE: 502200 43.8735 64.6906 78.3327 64.69 120.115 -7.28129 78.3332 -7.27976 74.7412 GPRESSURE: 502200 128.368 -8.18139 97.6559 13.6247 55.3896 31.7192 135.308 -28.3006 154.403 PRESSAVG: 502200 8.72769 25.3518 19.9665 25.3518 -32.4231 26.9925 19.9664 26.9925 32.1602 GPRESSAVG: 502200 9.25238 26.5608 20.8825 24.1256 -32.3412 28.8625 16.5981 25.4383 32.4142 TIMING: 502200 CPU: 1458.67, 0.00287002/step Wall: 1458.67, 0.00287002/step, 3.58577 hours remaining, 204.566406 MB of memory in use. ENERGY: 502200 766.6223 2092.2465 1957.2146 113.0106 -206470.3386 18099.4095 0.0000 0.0000 34332.1060 -149109.7291 299.8308 -183441.8351 -149006.7020 298.9690 79.5765 112.7201 559029.0712 2.8216 3.1085 PRESSURE: 502400 120.33 42.1695 -109.837 42.1696 -34.7047 48.6972 -109.836 48.6987 134.446 GPRESSURE: 502400 147.723 52.9363 -18.8329 37.7838 15.8151 56.3308 -153.234 98.6301 145.603 PRESSAVG: 502400 -66.8384 -5.48408 -32.1899 -5.4841 9.13224 13.8519 -32.1899 13.8519 93.9321 GPRESSAVG: 502400 -66.1727 -6.08273 -33.5128 -5.69337 8.02466 13.221 -28.6578 14.8334 94.0789 TIMING: 502400 CPU: 1459.25, 0.00287123/step Wall: 1459.25, 0.00287123/step, 3.58712 hours remaining, 204.566406 MB of memory in use. ENERGY: 502400 767.1227 2124.1137 1986.5724 103.4045 -206099.0543 17854.5162 0.0000 0.0000 34332.1394 -148931.1854 299.8311 -183263.3248 -148839.0712 299.4690 73.3569 103.0469 558658.7016 12.0753 11.9770 PRESSURE: 502600 -115.471 -6.99597 68.2907 -6.99576 -8.87659 182.559 68.2899 182.559 -147.968 GPRESSURE: 502600 -67.9493 -1.65062 73.7096 35.241 -18.1347 217.397 -30.9022 207.338 -94.9049 PRESSAVG: 502600 -14.4988 13.8728 -41.2238 13.8729 -75.9579 -9.09415 -41.2238 -9.09415 65.8411 GPRESSAVG: 502600 -14.6049 14.4207 -41.6502 15.1345 -74.9192 -8.86948 -43.2328 -10.1614 65.0708 TIMING: 502600 CPU: 1459.82, 0.0028734/step Wall: 1459.82, 0.0028734/step, 3.58968 hours remaining, 204.566406 MB of memory in use. ENERGY: 502600 741.0097 2135.2144 1986.8706 129.0397 -205852.9920 17760.6692 0.0000 0.0000 34132.0979 -148968.0905 298.0841 -183100.1884 -148870.0311 299.0964 -90.7718 -60.3296 559551.7516 -8.2052 -8.1511 PRESSURE: 502800 173.864 -21.0158 91.0406 -21.0161 -41.6537 137.701 91.0418 137.7 157.11 GPRESSURE: 502800 136.126 -45.6404 -12.8001 -22.0347 83.8376 143.774 48.5535 109.345 174.676 PRESSAVG: 502800 0.104147 -8.83101 -46.0534 -8.83107 40.9491 41.9898 -46.0534 41.9897 -14.984 GPRESSAVG: 502800 0.718642 -8.85264 -43.1274 -9.9199 39.8958 42.3578 -47.369 42.6463 -15.2903 TIMING: 502800 CPU: 1460.4, 0.0028771/step Wall: 1460.4, 0.0028771/step, 3.59414 hours remaining, 204.566406 MB of memory in use. ENERGY: 502800 754.6208 2141.1672 1962.1885 121.5087 -206592.4519 18091.6909 0.0000 0.0000 34680.8264 -148840.4495 302.8763 -183521.2758 -148744.2755 300.3851 96.4401 131.5466 558935.2926 8.6898 8.4414 PRESSURE: 503000 -152.248 3.50122 -12.2143 3.50098 -47.8734 73.9627 -12.2121 73.9636 177.671 GPRESSURE: 503000 -139.102 9.73072 40.0656 -40.2208 -51.3801 60.9794 -52.1518 31.5508 259.049 PRESSAVG: 503000 -0.330762 43.8656 -31.6657 43.8656 -9.10146 30.0798 -31.6656 30.0797 30.015 GPRESSAVG: 503000 -1.14589 42.2711 -31.8495 45.4498 -10.0774 30.0754 -32.6539 28.996 31.3651 TIMING: 503000 CPU: 1460.97, 0.0028736/step Wall: 1460.97, 0.0028736/step, 3.5896 hours remaining, 204.566406 MB of memory in use. ENERGY: 503000 745.5074 2131.0135 2017.1542 129.5046 -205630.8601 17758.5441 0.0000 0.0000 34191.4095 -148657.7269 298.6021 -182849.1364 -148559.2579 300.5438 -7.4833 22.8557 559782.1358 6.8609 6.7139 PRESSURE: 503200 124.878 -2.85973 -24.5487 -2.85898 -228.276 -33.7341 -24.5493 -33.7355 109.963 GPRESSURE: 503200 128.068 -32.3213 11.3765 10.2634 -214.937 -111.144 -1.68847 31.3621 184.549 PRESSAVG: 503200 -6.61592 0.840619 27.7095 0.84061 -41.5662 20.339 27.7096 20.339 31.4341 GPRESSAVG: 503200 -7.15463 1.89469 25.8507 1.20366 -39.9279 20.09 31.1589 21.7858 30.6449 TIMING: 503200 CPU: 1461.55, 0.00289537/step Wall: 1461.55, 0.00289537/step, 3.61664 hours remaining, 204.566406 MB of memory in use. ENERGY: 503200 759.6958 2095.7416 1989.9507 101.6798 -205989.5780 17905.6212 0.0000 0.0000 34344.3410 -148792.5480 299.9377 -183136.8890 -148708.4712 300.2144 2.1883 32.5601 557920.9389 -5.5827 -5.4792 PRESSURE: 503400 -96.1785 -115.813 -120.06 -115.814 -94.0054 -31.0909 -120.059 -31.0928 -173.025 GPRESSURE: 503400 -39.2883 -64.3025 -56.0802 -58.1694 -36.8604 -11.6363 -90.2293 -106.543 -195.307 PRESSAVG: 503400 24.7863 -30.8365 -13.0529 -30.8364 -5.96252 24.693 -13.0529 24.6931 -58.87 GPRESSAVG: 503400 26.6252 -30.7807 -12.6275 -28.8674 -7.86504 27.2185 -13.1523 22.1447 -59.1652 TIMING: 503400 CPU: 1462.13, 0.00287838/step Wall: 1462.13, 0.00287838/step, 3.59526 hours remaining, 204.566406 MB of memory in use. ENERGY: 503400 757.9310 2123.8897 1959.7961 103.1747 -205875.7192 17662.0629 0.0000 0.0000 34416.6017 -148852.2633 300.5687 -183268.8650 -148757.7428 300.3499 -121.0696 -90.4852 557731.2311 -13.3487 -13.4683 PRESSURE: 503600 -177.443 -80.7912 -73.3776 -80.791 -98.8237 -11.0264 -73.3776 -11.0279 -259.042 GPRESSURE: 503600 -150.058 -96.756 -57.2712 -7.6148 -51.2449 43.8564 -88.9093 -31.3397 -236.667 PRESSAVG: 503600 22.3879 7.50028 13.3129 7.50032 11.3216 -15.7839 13.3128 -15.7839 -48.4948 GPRESSAVG: 503600 21.0034 6.30429 12.9509 5.4595 12.9981 -17.6329 11.5652 -15.1213 -49.254 TIMING: 503600 CPU: 1462.7, 0.00288093/step Wall: 1462.7, 0.00288093/step, 3.59829 hours remaining, 204.566406 MB of memory in use. ENERGY: 503600 729.1095 2120.6672 1977.4745 120.1411 -205816.2644 17555.9642 0.0000 0.0000 34410.4068 -148902.5012 300.5146 -183312.9080 -148798.8559 300.9058 -178.4362 -145.9898 559439.2276 -4.9284 -5.0842 PRESSURE: 503800 27.0601 -137.688 -98.4403 -137.689 -28.7717 -4.64475 -98.4401 -4.64292 -46.9699 GPRESSURE: 503800 31.2568 -140.747 -51.5861 -161.313 -15.0225 107.454 -179.015 -59.2393 40.2737 PRESSAVG: 503800 -4.75912 -47.2713 6.77094 -47.2713 56.7546 -67.9369 6.77094 -67.9369 -58.4421 GPRESSAVG: 503800 -4.80321 -45.0767 9.21271 -49.874 56.1301 -66.9217 6.43934 -68.5579 -57.5214 TIMING: 503800 CPU: 1463.28, 0.00288546/step Wall: 1463.28, 0.00288546/step, 3.60378 hours remaining, 204.566406 MB of memory in use. ENERGY: 503800 713.8418 2136.7852 2006.6922 124.3449 -206051.3710 17818.9060 0.0000 0.0000 34609.2677 -148641.5333 302.2513 -183250.8010 -148543.5715 301.4441 -16.2272 18.8360 558307.6097 -2.1489 -2.0648 PRESSURE: 504000 -33.9516 -107.434 -61.0161 -107.434 -101.939 41.862 -61.0168 41.8607 32.3604 GPRESSURE: 504000 33.8991 -161.763 -118.424 -1.20894 -105.049 75.3987 -103.104 -13.2203 34.7012 PRESSAVG: 504000 12.9386 -14.1016 34.5776 -14.1016 52.3169 29.1355 34.5776 29.1355 -9.42295 GPRESSAVG: 504000 13.1292 -17.5669 33.2473 -14.9356 51.608 29.3241 35.6386 30.2069 -8.83495 TIMING: 504000 CPU: 1463.86, 0.00288043/step Wall: 1463.86, 0.00288043/step, 3.59733 hours remaining, 204.566406 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: 504000 749.5146 2093.2875 1969.2565 118.9805 -205975.8643 17893.7306 0.0000 0.0000 34459.0142 -148692.0804 300.9391 -183151.0946 -148585.7921 300.8220 -34.5101 -12.1496 559693.2452 18.6108 18.6341 PRESSURE: 504200 124.072 39.8565 23.6775 39.8565 29.5186 -117.527 23.6764 -117.527 -161.716 GPRESSURE: 504200 147.129 -5.63568 -15.9116 82.896 38.5692 -160.866 37.3578 -53.9373 -92.3864 PRESSAVG: 504200 4.49484 -23.3965 -17.857 -23.3964 -69.5577 30.1051 -17.857 30.1051 57.5329 GPRESSAVG: 504200 5.72227 -22.4873 -18.6291 -20.6887 -68.2622 28.592 -16.7903 29.5787 55.4003 TIMING: 504200 CPU: 1464.43, 0.00287739/step Wall: 1464.43, 0.00287739/step, 3.59338 hours remaining, 204.566406 MB of memory in use. ENERGY: 504200 738.5889 2135.5608 1983.2323 112.0851 -206020.9211 17864.2521 0.0000 0.0000 34211.5249 -148975.6769 298.7778 -183187.2019 -148880.2508 300.8989 -2.7083 31.1041 558572.7802 -2.5100 -2.3799 LDB: ============= START OF LOAD BALANCING ============== 1467.89 LDB: ============== END OF LOAD BALANCING =============== 1467.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1467.9 LDB: ============= START OF LOAD BALANCING ============== 1468.18 LDB: Largest compute 4820 load 0.026810 is 22.8% of average load 0.117590 LDB: Average compute 0.001725 is 1.5% of average load 0.117590 LDB: TIME 1468.19 LOAD: AVG 0.11759 MAX 0.179069 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.957 MB LDB: TIME 1468.19 LOAD: AVG 0.11759 MAX 0.179069 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: TIME 1468.19 LOAD: AVG 0.11759 MAX 0.179069 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1468.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1468.19 PRESSURE: 504400 109.114 198.4 34.6479 198.399 183.902 61.6679 34.6475 61.6685 67.4176 GPRESSURE: 504400 192.763 197.179 44.4371 241.971 172.353 111.468 46.3538 -0.754925 83.4064 PRESSAVG: 504400 20.9571 -35.6892 -27.8336 -35.6892 -29.8456 -39.241 -27.8335 -39.241 15.1787 GPRESSAVG: 504400 20.2249 -34.9701 -25.7225 -36.6147 -30.4142 -38.8195 -32.2771 -38.7724 15.7396 TIMING: 504400 CPU: 1465.02, 0.0029321/step Wall: 1465.02, 0.0029321/step, 3.66154 hours remaining, 203.988281 MB of memory in use. ENERGY: 504400 725.0887 2087.6428 1934.4489 122.8825 -206368.8826 18087.4539 0.0000 0.0000 34514.4581 -148896.9076 301.4233 -183411.3657 -148806.5836 299.5253 120.1444 149.5076 559929.8123 2.0967 1.8501 PRESSURE: 504600 10.6096 -19.0687 66.9239 -19.0695 0.623375 -73.4584 66.9245 -73.4582 -132.047 GPRESSURE: 504600 50.8197 -27.9539 16.7326 -81.1832 25.6493 -86.7667 84.6749 -97.1884 -102.35 PRESSAVG: 504600 -20.1141 10.4491 -6.63182 10.4491 8.64241 -13.1977 -6.63177 -13.1977 31.7387 GPRESSAVG: 504600 -20.0325 10.1359 -8.88477 11.1867 8.93198 -11.6755 -1.96931 -13.4674 31.5073 TIMING: 504600 CPU: 1465.59, 0.0028682/step Wall: 1465.59, 0.0028682/step, 3.58158 hours remaining, 204.332031 MB of memory in use. ENERGY: 504600 742.3548 2104.1136 1999.6045 121.1732 -205636.1917 17668.9414 0.0000 0.0000 34198.6220 -148801.3822 298.6651 -183000.0042 -148701.5205 299.7019 -40.2713 -8.6269 559355.0384 6.7557 6.8022 PRESSURE: 504800 93.0066 -3.8965 -164.303 -3.89674 146.976 -149.743 -164.304 -149.745 150.563 GPRESSURE: 504800 120.935 -35.8242 -129.824 -11.5592 181.894 -109.979 -171.037 -228.804 200.222 PRESSAVG: 504800 -97.9818 3.68734 -7.8241 3.68722 -16.2117 28.2849 -7.82423 28.2849 104.789 GPRESSAVG: 504800 -99.0412 3.35686 -7.50318 6.31085 -15.7761 28.4094 -7.97098 27.5803 105.652 TIMING: 504800 CPU: 1466.17, 0.00289223/step Wall: 1466.17, 0.00289223/step, 3.61143 hours remaining, 204.332031 MB of memory in use. ENERGY: 504800 758.6987 2093.4850 1969.5734 110.0270 -206518.3675 18141.8117 0.0000 0.0000 34346.2571 -149098.5146 299.9544 -183444.7718 -148998.0858 299.8041 130.1819 167.6838 558074.4808 -3.1348 -3.0552 PRESSURE: 505000 -294.334 -172.687 -196.05 -172.687 -310.169 46.7448 -196.05 46.7456 75.3769 GPRESSURE: 505000 -263.525 -200.59 -142.37 -189.198 -272.587 18.5662 -244.073 203.902 102.641 PRESSAVG: 505000 -77.1522 -34.4807 -60.2747 -34.4808 21.6037 7.96193 -60.2747 7.9619 80.4669 GPRESSAVG: 505000 -78.143 -35.0642 -58.3689 -37.4204 22.4947 7.77529 -61.8538 9.46055 80.6521 TIMING: 505000 CPU: 1466.75, 0.00290582/step Wall: 1466.75, 0.00290582/step, 3.62824 hours remaining, 204.332031 MB of memory in use. ENERGY: 505000 754.8329 2085.9726 1985.2139 100.2811 -205867.9464 17614.7649 0.0000 0.0000 34236.4929 -149090.3880 298.9958 -183326.8809 -148988.5797 299.6147 -176.3752 -144.4901 557400.1561 8.3061 8.3346 PRESSURE: 505200 -116.966 -133.605 -86.6146 -133.606 285.384 62.1269 -86.6164 62.1266 279.368 GPRESSURE: 505200 -130.379 -214.714 13.4033 -35.1618 368.309 139.522 -78.551 20.0493 312.812 PRESSAVG: 505200 -33.1776 3.68721 -19.1297 3.6871 -14.8354 -13.1071 -19.1296 -13.107 10.8145 GPRESSAVG: 505200 -31.6775 4.13999 -20.5764 5.59611 -15.9081 -14.1385 -19.9747 -11.826 10.5644 TIMING: 505200 CPU: 1467.33, 0.0028795/step Wall: 1467.33, 0.0028795/step, 3.59522 hours remaining, 204.332031 MB of memory in use. ENERGY: 505200 743.6934 2116.7978 1988.0369 106.3846 -206387.6279 17929.5258 0.0000 0.0000 34370.6354 -149132.5540 300.1673 -183503.1894 -149045.8200 299.1841 149.2622 183.5808 556273.5548 -12.3995 -12.3404 PRESSURE: 505400 -1.30907 -96.5214 84.3067 -96.522 -52.0716 -38.9682 84.3075 -38.9675 -166.442 GPRESSURE: 505400 -2.65966 -86.9946 87.9692 -101.03 -19.4077 -39.8153 106.552 -44.5969 -112.059 PRESSAVG: 505400 -74.1094 23.6023 20.2069 23.6023 29.5755 15.3932 20.207 15.3932 15.6339 GPRESSAVG: 505400 -75.0382 26.0356 20.0942 22.1472 29.5435 17.6329 22.1729 12.1209 16.899 TIMING: 505400 CPU: 1467.9, 0.00285293/step Wall: 1467.9, 0.00285293/step, 3.56188 hours remaining, 204.332031 MB of memory in use. ENERGY: 505400 705.0264 2160.8009 1965.7758 134.5614 -205697.2812 17470.6416 0.0000 0.0000 34232.6210 -149027.8540 298.9620 -183260.4750 -148941.3743 299.5652 -73.2742 -44.7087 557404.7625 -9.6333 -9.5319 PRESSURE: 505600 -106.992 4.39763 -135.605 4.39798 -104.481 -86.7635 -135.603 -86.7633 -110.422 GPRESSURE: 505600 -63.2099 77.0297 -105.007 -80.2935 -99.9524 -43.9606 -100.355 -82.3328 -57.6446 PRESSAVG: 505600 6.58387 33.43 -26.9167 33.43 8.9847 46.5 -26.9166 46.5 19.3218 GPRESSAVG: 505600 6.38606 32.8239 -25.461 32.0664 9.11774 46.0508 -28.5329 46.9594 19.2603 TIMING: 505600 CPU: 1468.47, 0.00287465/step Wall: 1468.47, 0.00287465/step, 3.58884 hours remaining, 204.343750 MB of memory in use. ENERGY: 505600 748.7729 2083.2777 1976.4200 105.2330 -205643.0945 17599.6565 0.0000 0.0000 34147.8902 -148981.8442 298.2220 -183129.7344 -148884.5351 299.4859 -107.2984 -73.6023 558015.0768 11.6301 11.5880 PRESSURE: 505800 -144.443 -106.325 81.0988 -106.326 41.3357 2.44102 81.0991 2.44219 -35.401 GPRESSURE: 505800 -140.779 -86.9707 265.263 -156.131 72.2837 30.4235 60.1313 14.8615 8.65983 PRESSAVG: 505800 -38.5798 -18.234 15.89 -18.2341 -3.98947 -2.68492 15.8899 -2.68486 30.5341 GPRESSAVG: 505800 -38.4036 -17.8426 16.2812 -17.5116 -2.96407 -5.07177 14.0716 -1.22049 29.6522 TIMING: 505800 CPU: 1469.05, 0.00286759/step Wall: 1469.05, 0.00286759/step, 3.57987 hours remaining, 204.343750 MB of memory in use. ENERGY: 505800 759.8495 2038.3110 1981.6028 125.7199 -205595.4397 17583.9905 0.0000 0.0000 34206.6381 -148899.3280 298.7351 -183105.9661 -148808.3904 299.3341 -46.1696 -19.9450 557294.5605 -4.0117 -3.9052 PRESSURE: 506000 75.0279 -136.17 144.757 -136.169 117.323 2.09837 144.758 2.09865 73.6693 GPRESSURE: 506000 110.482 -104.402 86.0382 -186.626 158.953 167.301 132.55 -36.5858 89.5653 PRESSAVG: 506000 5.35795 -62.0891 33.992 -62.0892 3.53429 6.09889 33.9919 6.09898 -4.86119 GPRESSAVG: 506000 5.50625 -64.0432 31.4936 -60.0481 1.48784 7.91791 35.9257 5.12275 -3.15536 TIMING: 506000 CPU: 1469.62, 0.00289406/step Wall: 1469.62, 0.00289406/step, 3.61275 hours remaining, 204.343750 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: 506000 746.9843 2054.7091 2002.6692 115.8387 -205695.6617 17680.4391 0.0000 0.0000 34223.1519 -148871.8694 298.8793 -183095.0213 -148776.0773 299.5532 88.6735 119.6669 557101.0252 1.3437 1.2796 PRESSURE: 506200 -87.3496 -25.9624 13.6064 -25.9638 261.238 38.3565 13.6065 38.3581 160.24 GPRESSURE: 506200 -110.682 8.70435 -90.3019 -71.2676 331.798 55.3488 92.3373 -26.7 194.978 PRESSAVG: 506200 -50.1111 -10.772 52.2221 -10.772 27.094 35.8644 52.2222 35.8644 8.56662 GPRESSAVG: 506200 -50.2438 -9.93769 53.2295 -13.4674 29.1281 34.6572 50.6737 35.4462 6.13057 TIMING: 506200 CPU: 1470.2, 0.00289284/step Wall: 1470.2, 0.00289284/step, 3.61107 hours remaining, 204.406250 MB of memory in use. ENERGY: 506200 768.5488 2059.0895 1985.4019 115.2991 -205860.7731 17851.2042 0.0000 0.0000 34236.7072 -148844.5222 298.9977 -183081.2295 -148751.4900 300.2296 111.3760 138.6980 558271.5609 -4.8168 -4.9950 PRESSURE: 506400 -203.505 39.1416 63.3213 39.1413 -132.718 32.1691 63.3209 32.1698 130.548 GPRESSURE: 506400 -159.143 0.613865 106.681 36.0452 -81.9174 88.0727 81.8365 -36.0399 134.744 PRESSAVG: 506400 -29.1727 17.7166 -42.5823 17.7166 47.4427 40.6852 -42.5824 40.6852 -2.44626 GPRESSAVG: 506400 -29.1799 16.9715 -42.0629 20.3466 46.8118 42.4633 -40.0793 40.1427 -2.17516 TIMING: 506400 CPU: 1470.79, 0.00292324/step Wall: 1470.79, 0.00292324/step, 3.64886 hours remaining, 204.464844 MB of memory in use. ENERGY: 506400 730.3312 2117.7043 1979.1944 115.5421 -205469.3097 17481.1378 0.0000 0.0000 34185.2500 -148860.1498 298.5483 -183045.3998 -148761.2559 300.2329 -68.5585 -35.4388 557386.6267 5.2746 5.1522 PRESSURE: 506600 179.716 62.1286 147.839 62.1281 174.75 270.782 147.839 270.783 25.0634 GPRESSURE: 506600 207.632 18.2726 144.591 164.588 163.781 333.431 119.735 217.999 102.291 PRESSAVG: 506600 49.8912 0.143805 41.1104 0.143827 -5.24728 14.4396 41.1104 14.4395 0.35432 GPRESSAVG: 506600 50.7831 1.29534 40.8575 -0.617159 -6.07694 14.8996 38.7741 14.8871 0.675699 TIMING: 506600 CPU: 1471.37, 0.00292489/step Wall: 1471.37, 0.00292489/step, 3.65075 hours remaining, 204.464844 MB of memory in use. ENERGY: 506600 787.1608 2098.3309 1974.3591 109.4966 -206261.1970 18003.2759 0.0000 0.0000 34395.0785 -148893.4951 300.3808 -183288.5736 -148792.2650 300.3953 126.5095 157.9017 557439.3551 14.9994 15.1273 PRESSURE: 506800 150.087 22.659 158.921 22.659 -208.809 -212.777 158.921 -212.777 14.4834 GPRESSURE: 506800 133.905 29.7136 175.311 51.0186 -153.043 -186.929 142.033 -247.58 75.7599 PRESSAVG: 506800 117.612 -11.3023 7.71618 -11.3023 -73.145 -51.4974 7.71621 -51.4973 17.8975 GPRESSAVG: 506800 116.414 -11.4674 5.0085 -11.9966 -71.7638 -51.5955 10.7106 -52.6008 18.2517 TIMING: 506800 CPU: 1471.96, 0.00291833/step Wall: 1471.96, 0.00291833/step, 3.6424 hours remaining, 204.464844 MB of memory in use. ENERGY: 506800 764.6944 2069.2293 1981.9975 115.9749 -205908.3758 17814.6720 0.0000 0.0000 34330.7148 -148831.0928 299.8187 -183161.8077 -148738.0595 300.4115 -14.7462 18.8741 557080.1085 20.7883 20.9673 PRESSURE: 507000 -110.863 67.035 145.379 67.0358 -186.569 59.9037 145.38 59.9033 -28.0962 GPRESSURE: 507000 -98.1121 79.2422 158.97 12.8094 -125.935 23.0325 229.849 75.3488 -4.30296 PRESSAVG: 507000 18.9919 2.54094 41.5124 2.54092 -94.2038 -29.1329 41.5124 -29.1329 79.759 GPRESSAVG: 507000 20.0034 3.22648 43.7966 3.8657 -94.7626 -30.5105 40.233 -27.3976 79.1041 TIMING: 507000 CPU: 1472.54, 0.00290129/step Wall: 1472.54, 0.00290129/step, 3.62097 hours remaining, 204.464844 MB of memory in use. ENERGY: 507000 754.0228 2035.2137 1983.9570 120.4888 -205654.8787 17623.4329 0.0000 0.0000 34289.2073 -148848.5561 299.4562 -183137.7634 -148752.0371 299.7907 -108.5094 -76.1165 559056.5996 1.5157 1.4483 PRESSURE: 507200 167.613 35.3242 81.1237 35.3248 -29.0925 -13.9299 81.1222 -13.9293 102.096 GPRESSURE: 507200 205.878 -52.4533 100.919 65.3244 -4.60946 -4.29768 85.0542 -39.964 132.026 PRESSAVG: 507200 69.9761 -31.2609 -10.1323 -31.2609 -66.0666 -24.6438 -10.1324 -24.6438 4.92109 GPRESSAVG: 507200 69.4789 -32.128 -10.0145 -32.6165 -65.8282 -25.0672 -11.3839 -24.9175 5.14779 TIMING: 507200 CPU: 1473.12, 0.00289327/step Wall: 1473.12, 0.00289327/step, 3.6108 hours remaining, 204.464844 MB of memory in use. ENERGY: 507200 783.8840 2092.6832 1970.3187 103.7771 -206140.7972 17982.6967 0.0000 0.0000 34448.5968 -148758.8407 300.8482 -183207.4375 -148666.2559 300.6522 80.2055 111.0983 556797.0635 2.9436 2.9329 PRESSURE: 507400 138.803 17.8664 -27.4517 17.8672 17.0105 -123.662 -27.452 -123.661 189.872 GPRESSURE: 507400 195.606 131.86 -32.0492 -37.8582 34.5091 -107.231 -76.8969 -34.3697 212.701 PRESSAVG: 507400 -32.9788 28.049 -14.1735 28.0491 -6.66548 -2.22356 -14.1736 -2.22347 23.881 GPRESSAVG: 507400 -32.7797 30.1246 -13.2994 27.4576 -6.80684 1.13866 -12.8895 -1.61476 23.9279 TIMING: 507400 CPU: 1473.69, 0.0028674/step Wall: 1473.69, 0.0028674/step, 3.57836 hours remaining, 204.464844 MB of memory in use. ENERGY: 507400 737.0034 2101.4126 1960.4782 108.5507 -206196.8781 18081.8335 0.0000 0.0000 34564.2337 -148643.3661 301.8580 -183207.5998 -148551.7399 301.2188 115.2283 147.6052 557801.8360 -5.2544 -5.2195 PRESSURE: 507600 -272.932 -59.3472 -7.98439 -59.3477 -165.776 200.653 -7.98547 200.652 -130.529 GPRESSURE: 507600 -252.085 -12.897 -69.7658 -44.1927 -82.8683 208.66 -10.6458 178.18 -125.902 PRESSAVG: 507600 -23.5963 -16.8544 -15.2792 -16.8544 36.5601 27.9513 -15.2792 27.9513 -5.72648 GPRESSAVG: 507600 -24.1729 -17.908 -17.4208 -17.1679 37.7247 25.6724 -14.3701 28.5352 -6.19986 TIMING: 507600 CPU: 1474.27, 0.00288884/step Wall: 1474.27, 0.00288884/step, 3.60495 hours remaining, 204.464844 MB of memory in use. ENERGY: 507600 762.9168 2145.3001 1958.7322 116.2761 -205796.1436 17540.5692 0.0000 0.0000 34574.2169 -148698.1324 301.9452 -183272.3493 -148607.5417 301.1198 -189.7457 -153.6184 558445.4441 2.4124 2.4507 PRESSURE: 507800 -241.927 83.3656 -24.6672 83.3664 -39.5805 93.1081 -24.6671 93.1077 280.561 GPRESSURE: 507800 -170.15 43.4754 6.50646 36.8037 6.45891 160.932 -145.26 57.1394 246.802 PRESSAVG: 507800 -51.4605 -3.97954 -44.9486 -3.97952 19.8584 23.959 -44.9487 23.959 29.2953 GPRESSAVG: 507800 -50.673 -3.73258 -45.4162 -3.46797 17.2465 25.2694 -45.1591 22.7311 30.6541 TIMING: 507800 CPU: 1474.84, 0.00288955/step Wall: 1474.84, 0.00288955/step, 3.60568 hours remaining, 204.464844 MB of memory in use. ENERGY: 507800 730.1460 2070.5798 1966.6923 115.8231 -205915.9465 17823.0730 0.0000 0.0000 34543.6352 -148665.9971 301.6782 -183209.6323 -148564.4618 300.2706 -0.3158 27.7036 558058.0477 -0.7690 -0.9242 PRESSURE: 508000 8.7374 99.6913 27.5875 99.6895 238.01 -5.94021 27.5875 -5.93819 -241.871 GPRESSURE: 508000 43.1328 193.054 94.4099 -3.0154 250.375 -72.7991 36.9293 -49.6182 -188.561 PRESSAVG: 508000 -38.5609 -32.5234 -48.7823 -32.5234 5.08687 34.4952 -48.7823 34.4951 24.6782 GPRESSAVG: 508000 -39.5415 -33.6243 -47.2606 -29.569 6.67853 32.4915 -47.3823 37.3622 23.6248 TIMING: 508000 CPU: 1475.42, 0.00289344/step Wall: 1475.42, 0.00289344/step, 3.61037 hours remaining, 204.464844 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: 508000 731.1488 2086.7737 1973.2391 112.8083 -205784.8159 17772.0320 0.0000 0.0000 34497.5589 -148611.2551 301.2758 -183108.8140 -148515.0125 300.7419 1.6256 34.9820 557802.3105 -2.9319 -3.0794 PRESSURE: 508200 86.9206 49.1937 -18.0214 49.1935 -156.294 -187.505 -18.0216 -187.506 -5.94492 GPRESSURE: 508200 109.251 12.0886 -97.9569 77.2932 -105.045 -161.248 69.5456 -147.303 16.3108 PRESSAVG: 508200 -72.8087 -11.6248 0.3181 -11.6249 -15.9871 -36.7845 0.318068 -36.7845 88.6127 GPRESSAVG: 508200 -73.3476 -12.2202 1.03658 -12.8941 -15.9304 -37.9036 -1.48106 -37.4382 89.4968 TIMING: 508200 CPU: 1476, 0.00288243/step Wall: 1476, 0.00288243/step, 3.59647 hours remaining, 204.464844 MB of memory in use. ENERGY: 508200 728.7550 2104.0448 1986.7286 117.0536 -205753.9109 17804.7828 0.0000 0.0000 34434.9948 -148577.5512 300.7294 -183012.5461 -148485.3203 301.0084 -25.1062 6.8389 559037.2889 -0.0610 0.0729 LDB: ============= START OF LOAD BALANCING ============== 1479.46 LDB: ============== END OF LOAD BALANCING =============== 1479.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1479.47 LDB: ============= START OF LOAD BALANCING ============== 1479.76 LDB: Largest compute 4820 load 0.025810 is 21.9% of average load 0.117603 LDB: Average compute 0.001719 is 1.5% of average load 0.117603 LDB: TIME 1479.76 LOAD: AVG 0.117603 MAX 0.178935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.344 MB LDB: TIME 1479.76 LOAD: AVG 0.117603 MAX 0.178935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.406 MB LDB: TIME 1479.76 LOAD: AVG 0.117603 MAX 0.178935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1479.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1479.76 PRESSURE: 508400 128.042 -153.762 -77.4428 -153.762 -230.913 -165.939 -77.4425 -165.939 32.4424 GPRESSURE: 508400 182.863 -114.837 -62.7269 -113.222 -120.336 -138.582 -58.3958 -143.985 -44.4195 PRESSAVG: 508400 67.2121 -25.9572 -50.1268 -25.9572 -5.7345 -5.91395 -50.1268 -5.91394 -21.2955 GPRESSAVG: 508400 67.9235 -25.1526 -50.6017 -24.8717 -5.02003 -5.07305 -49.5003 -7.34047 -22.1864 TIMING: 508400 CPU: 1476.59, 0.00294352/step Wall: 1476.59, 0.00294352/step, 3.67253 hours remaining, 204.882812 MB of memory in use. ENERGY: 508400 742.6341 2090.9394 1963.8402 109.2018 -205545.8674 17637.4242 0.0000 0.0000 34223.0294 -148778.7982 298.8782 -183001.8276 -148684.5556 300.0093 -23.4764 6.0360 558165.3897 13.3941 13.5724 PRESSURE: 508600 89.4883 35.4043 58.2574 35.4031 -109.111 88.2316 58.2574 88.2302 -130.243 GPRESSURE: 508600 82.8828 15.5006 140.802 69.2389 2.05629 38.7423 30.3476 56.0831 -134.997 PRESSAVG: 508600 77.5165 -41.6898 -24.6806 -41.6898 -7.09121 27.2332 -24.6806 27.2332 -67.1681 GPRESSAVG: 508600 77.3656 -40.4118 -25.6852 -43.2473 -7.30629 28.5166 -24.2436 26.9659 -66.6687 TIMING: 508600 CPU: 1477.17, 0.00290311/step Wall: 1477.17, 0.00290311/step, 3.62195 hours remaining, 205.085938 MB of memory in use. ENERGY: 508600 766.8886 2083.2389 1948.7616 118.4319 -205835.6045 17777.2189 0.0000 0.0000 34268.1920 -148872.8725 299.2726 -183141.0645 -148770.6684 299.6870 -49.9551 -16.6861 558360.3057 1.0857 1.1302 PRESSURE: 508800 -50.1739 -68.449 126.919 -68.4483 -82.0507 -118.482 126.919 -118.481 -128.307 GPRESSURE: 508800 -11.3597 -101.682 39.281 13.5169 -42.6825 -128.976 201.619 -175.238 -112.947 PRESSAVG: 508800 37.0473 -9.65602 -15.3957 -9.65608 -78.6453 48.7436 -15.3957 48.7435 25.1937 GPRESSAVG: 508800 37.7932 -8.5705 -14.3367 -10.2664 -79.5483 48.2973 -17.161 48.8219 25.7382 TIMING: 508800 CPU: 1477.75, 0.00289367/step Wall: 1477.75, 0.00289367/step, 3.61002 hours remaining, 205.175781 MB of memory in use. ENERGY: 508800 751.7483 2090.9516 1968.0092 103.7450 -205594.5921 17535.7282 0.0000 0.0000 34276.8908 -148867.5191 299.3486 -183144.4099 -148771.4591 299.9426 -86.8440 -55.6631 557927.4038 -5.4681 -5.3390 PRESSURE: 509000 3.18986 -141.587 -95.9705 -141.587 16.996 71.5422 -95.9713 71.5416 -146.381 GPRESSURE: 509000 57.1535 -79.874 -108.616 -56.0979 2.81191 66.5411 -188.113 69.4447 -93.8271 PRESSAVG: 509000 29.997 -51.6199 4.48264 -51.6199 18.0478 -16.7638 4.48265 -16.7637 -24.4534 GPRESSAVG: 509000 30.2866 -54.8531 5.48669 -51.0514 18.9216 -16.9111 3.17339 -14.3004 -25.5644 TIMING: 509000 CPU: 1478.32, 0.00286712/step Wall: 1478.32, 0.00286712/step, 3.57673 hours remaining, 205.175781 MB of memory in use. ENERGY: 509000 735.9591 2034.4428 1978.7417 114.6098 -206108.1798 17905.6346 0.0000 0.0000 34337.0160 -149001.7757 299.8737 -183338.7918 -148904.1089 299.8125 -42.0650 -11.2872 557274.0193 7.8638 7.8812 PRESSURE: 509200 -118.907 233.93 37.0595 233.929 -68.5046 -37.3982 37.0605 -37.3981 156.209 GPRESSURE: 509200 -108.69 141.273 63.1115 158.197 -15.9416 27.6954 90.8905 -51.4897 189.323 PRESSAVG: 509200 7.58413 -13.5551 22.5947 -13.5551 -8.25661 27.8658 22.5947 27.8658 -11.7516 GPRESSAVG: 509200 7.56466 -13.3721 21.5115 -12.4438 -8.99848 28.8557 24.7397 25.051 -11.111 TIMING: 509200 CPU: 1478.9, 0.00287595/step Wall: 1478.9, 0.00287595/step, 3.58759 hours remaining, 205.320312 MB of memory in use. ENERGY: 509200 733.2369 2073.4997 1971.3268 109.6302 -206138.1836 17726.3024 0.0000 0.0000 34558.9787 -148965.2089 301.8122 -183524.1876 -148864.0649 299.8388 -10.4007 21.5636 556080.3862 -4.1414 -4.1816 PRESSURE: 509400 235.325 74.902 -29.0813 74.9017 -36.7915 10.8254 -29.0799 10.8241 253.863 GPRESSURE: 509400 245.249 64.8252 29.3313 122.579 6.59312 13.1654 -82.0551 -57.4182 303.18 PRESSAVG: 509400 21.2204 49.1161 44.8932 49.1161 -22.3407 -24.0043 44.8932 -24.0042 6.66064 GPRESSAVG: 509400 19.5258 50.349 44.4195 48.3295 -21.5548 -25.9392 45.3897 -22.125 7.82025 TIMING: 509400 CPU: 1479.48, 0.00289636/step Wall: 1479.48, 0.00289636/step, 3.61288 hours remaining, 205.320312 MB of memory in use. ENERGY: 509400 743.2765 2122.9077 1967.3463 108.5912 -206330.0144 18080.3217 0.0000 0.0000 34283.2553 -149024.3158 299.4042 -183307.5711 -148918.4533 300.1720 150.7986 185.0072 556512.1976 1.8468 1.9304 PRESSURE: 509600 54.9926 -23.5808 -22.9392 -23.5814 64.264 -125.127 -22.9391 -125.127 -98.3393 GPRESSURE: 509600 81.523 12.167 -47.8618 -71.3175 144.574 -114.609 -25.3723 -162.946 -112.427 PRESSAVG: 509600 -18.7236 21.9735 18.9603 21.9736 55.6924 -32.6925 18.9603 -32.6924 -47.6093 GPRESSAVG: 509600 -17.2114 21.4014 18.1581 21.3175 54.0509 -31.397 18.5898 -33.4869 -47.4294 TIMING: 509600 CPU: 1480.05, 0.00287114/step Wall: 1480.05, 0.00287114/step, 3.58127 hours remaining, 205.320312 MB of memory in use. ENERGY: 509600 762.1304 2133.3768 1974.5349 109.5776 -206219.3744 17796.7119 0.0000 0.0000 34462.2629 -148980.7799 300.9675 -183443.0429 -148880.0906 300.3850 6.9724 37.8899 557562.7297 -3.5468 -3.5300 PRESSURE: 509800 -44.0478 37.5391 10.8239 37.5398 74.6314 82.8939 10.8229 82.8944 312.753 GPRESSURE: 509800 12.7408 18.1191 2.37525 -14.1058 78.9702 52.3347 27.1364 55.5213 349.461 PRESSAVG: 509800 -10.4438 30.7692 -1.03574 30.7691 27.1575 -1.95057 -1.03561 -1.95051 -8.75725 GPRESSAVG: 509800 -11.1106 29.0803 0.24186 30.7494 29.5552 -1.36453 -1.35432 -2.72142 -9.95975 TIMING: 509800 CPU: 1480.63, 0.00288022/step Wall: 1480.63, 0.00288022/step, 3.59243 hours remaining, 205.320312 MB of memory in use. ENERGY: 509800 728.1575 2141.6286 1974.9610 110.8546 -206308.3008 17937.6944 0.0000 0.0000 34308.5679 -149106.4368 299.6253 -183415.0047 -149000.5432 299.9078 114.4455 147.0572 558363.5590 2.6522 2.8283 PRESSURE: 510000 -214.064 3.7551 -3.88849 3.75289 133.99 -74.14 -3.88921 -74.1403 254.28 GPRESSURE: 510000 -164.453 16.0572 -40.1702 55.3994 128.159 -49.5458 -33.0658 -52.2406 294.778 PRESSAVG: 510000 -21.9256 38.2402 -25.5756 38.2402 -1.2252 -48.806 -25.5756 -48.8061 54.484 GPRESSAVG: 510000 -22.0765 38.0079 -24.7584 40.9553 -1.8739 -50.4917 -28.1014 -47.244 54.9564 TIMING: 510000 CPU: 1481.21, 0.00289619/step Wall: 1481.21, 0.00289619/step, 3.61219 hours remaining, 205.320312 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: 510000 773.3769 2132.2059 1979.3673 107.9999 -206331.6676 18004.1114 0.0000 0.0000 34357.4299 -148977.1763 300.0520 -183334.6062 -148879.2573 299.9520 58.0686 86.1613 558284.4349 10.4444 10.3353 PRESSURE: 510200 16.3818 25.5556 -61.0342 25.5565 -172.65 -80.3423 -61.0338 -80.3422 -70.9232 GPRESSURE: 510200 62.1073 10.2414 -43.6478 41.7713 -151.381 -172.034 -42.4753 37.824 -35.9214 PRESSAVG: 510200 -1.94448 -27.1945 24.2098 -27.1945 -7.71655 -34.1941 24.2099 -34.194 24.8641 GPRESSAVG: 510200 -0.0807654 -26.325 25.3275 -30.2096 -9.23677 -32.5902 25.3653 -34.1101 24.5025 TIMING: 510200 CPU: 1481.78, 0.00288265/step Wall: 1481.78, 0.00288265/step, 3.59514 hours remaining, 205.320312 MB of memory in use. ENERGY: 510200 805.4618 2077.1307 1989.6545 105.4030 -206425.5335 17977.4126 0.0000 0.0000 34394.9242 -149075.5466 300.3794 -183470.4708 -148977.2574 299.7674 -75.7304 -41.7318 559328.5633 5.0677 5.0617 PRESSURE: 510400 -56.0548 -112.934 -135.71 -112.934 51.1989 -41.9697 -135.71 -41.9711 41.3607 GPRESSURE: 510400 -4.62724 -64.9111 -133.902 -97.1433 46.3283 -23.1738 -87.8437 67.5635 85.6766 PRESSAVG: 510400 -33.004 -42.0526 -46.921 -42.0527 61.5079 12.073 -46.9209 12.0729 -28.2 GPRESSAVG: 510400 -34.1189 -40.0419 -49.3782 -43.8264 61.6089 11.8543 -45.5991 11.7877 -27.0776 TIMING: 510400 CPU: 1482.36, 0.00287525/step Wall: 1482.36, 0.00287525/step, 3.58575 hours remaining, 205.320312 MB of memory in use. ENERGY: 510400 728.3604 2050.8104 1996.7613 118.5558 -205764.0661 17759.5891 0.0000 0.0000 34165.6923 -148944.2968 298.3775 -183109.9891 -148848.6430 299.6277 12.1683 42.4592 558886.0435 0.1013 0.1375 PRESSURE: 510600 -87.2739 33.1871 -31.3551 33.1868 -134.456 -22.3369 -31.3549 -22.3377 -117.186 GPRESSURE: 510600 -41.5242 0.725581 -41.4936 68.2759 -126.548 -58.6948 -2.24012 -22.5206 -79.4455 PRESSAVG: 510600 20.7132 -55.6082 -3.22437 -55.6082 -17.7006 -8.74718 -3.2245 -8.74718 30.2223 GPRESSAVG: 510600 20.8704 -57.6315 -1.60285 -54.197 -17.0167 -10.1819 -3.50212 -8.21076 29.6862 TIMING: 510600 CPU: 1482.93, 0.00287927/step Wall: 1482.93, 0.00287927/step, 3.5906 hours remaining, 205.320312 MB of memory in use. ENERGY: 510600 748.3463 2135.8170 1964.2245 114.5800 -205883.8957 17614.6435 0.0000 0.0000 34412.8575 -148893.4270 300.5360 -183306.2845 -148788.7676 300.0812 -112.9721 -82.5058 557939.8064 11.0783 11.1799 PRESSURE: 510800 -91.9466 -5.94119 2.47369 -5.9406 87.4674 -77.6533 2.47386 -77.6508 131.622 GPRESSURE: 510800 -49.1956 -27.5357 5.30559 0.728312 139.538 28.614 50.7993 -124.259 128.746 PRESSAVG: 510800 -105.661 26.6496 -74.6203 26.6497 89.0357 10.4729 -74.6203 10.473 -37.8221 GPRESSAVG: 510800 -105.748 27.4316 -74.8724 27.0105 88.723 12.6595 -74.5078 8.24147 -37.5503 TIMING: 510800 CPU: 1483.51, 0.00287764/step Wall: 1483.51, 0.00287764/step, 3.58842 hours remaining, 205.320312 MB of memory in use. ENERGY: 510800 705.0927 2109.9599 1991.1478 116.1798 -205804.4603 17714.3974 0.0000 0.0000 34307.9726 -148859.7102 299.6201 -183167.6828 -148766.2671 299.9760 42.3811 73.0292 558747.8315 -18.1490 -18.1917 PRESSURE: 511000 77.2281 -38.8236 56.061 -38.824 39.5927 -61.2131 56.0628 -61.2125 -93.4433 GPRESSURE: 511000 81.8291 -18.4071 30.4265 -58.1068 125.301 -24.6782 95.4937 -59.4955 -95.4729 PRESSAVG: 511000 -72.9009 -37.4184 1.76787 -37.4183 63.5725 -24.2395 1.76793 -24.2393 27.3659 GPRESSAVG: 511000 -73.3461 -35.5274 2.2663 -38.1795 63.4474 -24.3426 3.04258 -23.5082 27.8123 TIMING: 511000 CPU: 1484.09, 0.00289307/step Wall: 1484.09, 0.00289307/step, 3.60749 hours remaining, 205.320312 MB of memory in use. ENERGY: 511000 771.5997 2103.9935 1962.6663 98.2814 -205924.3410 17882.5358 0.0000 0.0000 34192.2569 -148913.0075 298.6095 -183105.2644 -148818.7038 299.3208 7.7925 37.2190 558067.5313 6.0125 5.9712 PRESSURE: 511200 -81.1855 -45.7877 28.7947 -45.787 -257.332 -187.562 28.7933 -187.561 -100.942 GPRESSURE: 511200 -79.725 -59.3025 39.7467 -48.9386 -176.626 -162.079 -23.6448 -235.376 -81.0143 PRESSAVG: 511200 -55.7243 -52.3916 -80.2592 -52.3917 27.5326 -79.204 -80.2592 -79.2039 -10.46 GPRESSAVG: 511200 -55.7587 -55.3507 -81.1299 -50.6221 28.1527 -79.6571 -81.8136 -81.549 -10.5515 TIMING: 511200 CPU: 1484.66, 0.00287569/step Wall: 1484.66, 0.00287569/step, 3.58567 hours remaining, 205.320312 MB of memory in use. ENERGY: 511200 738.9440 2074.3506 1998.0370 99.4141 -206026.4944 17694.9989 0.0000 0.0000 34263.0455 -149157.7042 299.2277 -183420.7497 -149064.9212 299.0644 -146.4864 -112.4550 558292.8309 -12.8839 -12.7192 PRESSURE: 511400 118.292 -65.2182 155.437 -65.2179 -55.1543 16.4901 155.438 16.4912 309.008 GPRESSURE: 511400 164.928 -70.608 155.391 -82.6465 -14.7127 38.7227 170.15 55.9469 325.106 PRESSAVG: 511400 10.6936 7.20924 17.1268 7.20916 -40.4001 -46.6885 17.1267 -46.6885 -0.713331 GPRESSAVG: 511400 11.0516 7.42281 16.634 5.84367 -41.7758 -44.2045 16.7027 -45.3743 -0.183294 TIMING: 511400 CPU: 1485.24, 0.00288101/step Wall: 1485.24, 0.00288101/step, 3.59214 hours remaining, 205.320312 MB of memory in use. ENERGY: 511400 725.2198 2043.3634 1972.6033 109.3625 -206548.0075 17989.3010 0.0000 0.0000 34372.8530 -149335.3046 300.1867 -183708.1575 -149235.2890 298.7315 124.0486 158.4404 556217.4983 -10.1399 -10.3025 PRESSURE: 511600 -62.2989 -231.438 -87.9936 -231.439 -57.958 -46.5814 -87.9956 -46.5808 24.9253 GPRESSURE: 511600 -51.8652 -286.366 -160.484 -54.8257 -13.5491 -147.706 -42.6117 43.8156 56.186 PRESSAVG: 511600 -45.8844 -29.7182 -23.6086 -29.7182 -23.0287 -24.4259 -23.6084 -24.4258 91.9898 GPRESSAVG: 511600 -47.1967 -28.6321 -23.2488 -28.8677 -21.9401 -29.2123 -24.1143 -23.6147 91.8779 TIMING: 511600 CPU: 1485.81, 0.00287626/step Wall: 1485.81, 0.00287626/step, 3.58606 hours remaining, 205.320312 MB of memory in use. ENERGY: 511600 750.9799 2068.9457 1977.0765 115.5728 -206028.9061 17632.2284 0.0000 0.0000 34246.7657 -149237.3371 299.0855 -183484.1028 -149142.9862 299.3372 -31.7772 -3.0761 556882.0191 7.6922 7.5804 PRESSURE: 511800 -109.306 126.909 -182.421 126.908 99.0928 -0.673452 -182.421 -0.674106 -261.929 GPRESSURE: 511800 -68.044 206.112 -162.262 1.73363 96.6549 -31.9845 -174.429 -57.9496 -208.526 PRESSAVG: 511800 6.74492 47.8761 -33.8161 47.8762 -11.1611 -41.5445 -33.8161 -41.5445 20.3115 GPRESSAVG: 511800 7.51362 47.827 -33.0964 47.9041 -12.7125 -41.4833 -32.9535 -42.0489 20.8203 TIMING: 511800 CPU: 1486.39, 0.00286198/step Wall: 1486.39, 0.00286198/step, 3.5681 hours remaining, 205.320312 MB of memory in use. ENERGY: 511800 754.9878 2078.2294 1971.4114 112.6946 -206184.3232 17719.4714 0.0000 0.0000 34145.8854 -149401.6432 298.2045 -183547.5287 -149302.4943 298.4989 -90.7141 -59.9716 557013.6019 5.2984 5.2071 PRESSURE: 512000 -26.0338 -8.10804 -16.2039 -8.10738 -187.036 -52.512 -16.2033 -52.5125 151.847 GPRESSURE: 512000 -0.381523 -29.1124 12.0169 46.3955 -156.051 -97.6559 -35.0782 -13.096 195.339 PRESSAVG: 512000 -6.56534 50.6898 -37.5603 50.6899 -65.0798 36.6941 -37.5604 36.6941 72.9939 GPRESSAVG: 512000 -6.5712 50.839 -37.3749 52.4102 -64.2877 38.769 -36.1589 36.5536 71.9794 TIMING: 512000 CPU: 1486.96, 0.00286721/step Wall: 1486.96, 0.00286721/step, 3.57445 hours remaining, 205.320312 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: 512000 722.4050 2098.1605 1975.8855 112.9056 -206565.8277 17900.7090 0.0000 0.0000 34385.9564 -149369.8058 300.3011 -183755.7622 -149271.8410 298.5682 -20.4076 12.9689 557289.6787 0.4496 0.3735 PRESSURE: 512200 -147.921 101.336 -177.059 101.336 -52.9871 -58.1752 -177.059 -58.1758 40.9784 GPRESSURE: 512200 -118.107 61.205 -182.44 77.6725 -5.93118 -55.2629 -198.974 11.0669 58.7651 PRESSAVG: 512200 -20.2907 -4.57144 -14.5096 -4.57141 5.92767 -37.53 -14.5098 -37.53 23.0205 GPRESSAVG: 512200 -19.155 -7.03535 -15.8029 -5.86284 5.49934 -35.6267 -14.1865 -38.6307 22.1707 TIMING: 512200 CPU: 1487.53, 0.00286716/step Wall: 1487.53, 0.00286716/step, 3.57423 hours remaining, 205.320312 MB of memory in use. ENERGY: 512200 761.1105 2072.8076 1978.7638 118.6736 -206850.6534 18011.0678 0.0000 0.0000 34375.7633 -149532.4669 300.2121 -183908.2302 -149436.0999 298.0324 -53.3099 -21.7576 557490.4115 2.8858 2.8384 LDB: ============= START OF LOAD BALANCING ============== 1491 LDB: ============== END OF LOAD BALANCING =============== 1491 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1491 LDB: ============= START OF LOAD BALANCING ============== 1491.29 LDB: Largest compute 4827 load 0.024695 is 21.0% of average load 0.117603 LDB: Average compute 0.001712 is 1.5% of average load 0.117603 LDB: TIME 1491.29 LOAD: AVG 0.117603 MAX 0.178991 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.898 MB LDB: TIME 1491.29 LOAD: AVG 0.117603 MAX 0.178991 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.898 MB LDB: TIME 1491.29 LOAD: AVG 0.117603 MAX 0.178991 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.898 MB LDB: ============== END OF LOAD BALANCING =============== 1491.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1491.3 PRESSURE: 512400 -134.927 22.4451 -91.6681 22.4445 -47.4635 177.711 -91.6679 177.712 127.821 GPRESSURE: 512400 -108.75 69.449 -119.682 43.109 1.81758 45.28 -99.4172 256.068 153.083 PRESSAVG: 512400 -0.568615 51.4687 2.54063 51.4688 -44.8147 13.3477 2.54055 13.3476 28.2506 GPRESSAVG: 512400 -1.68027 53.508 3.40991 50.5486 -44.7885 8.27945 1.60414 16.0235 29.4425 TIMING: 512400 CPU: 1488.12, 0.00294394/step Wall: 1488.12, 0.00294394/step, 3.66978 hours remaining, 203.933594 MB of memory in use. ENERGY: 512400 739.1656 2017.5555 1983.4365 114.4438 -206572.5738 17966.3558 0.0000 0.0000 34282.4282 -149469.1884 299.3970 -183751.6167 -149373.3763 298.5365 -18.1898 15.3837 556936.1062 -5.7109 -5.6754 PRESSURE: 512600 -31.578 -14.7186 138.934 -14.7182 128.652 133.895 138.934 133.895 172.817 GPRESSURE: 512600 86.6365 -90.4072 179.291 -61.6871 100.723 68.9182 164.538 180.646 175.45 PRESSAVG: 512600 -15.5831 24.3725 -8.72701 24.3725 27.9986 -13.7722 -8.72705 -13.7722 -64.9217 GPRESSAVG: 512600 -14.884 24.7106 -9.00299 24.8635 28.1461 -12.095 -8.17653 -14.2908 -65.9966 TIMING: 512600 CPU: 1488.7, 0.00288275/step Wall: 1488.7, 0.00288275/step, 3.59335 hours remaining, 204.003906 MB of memory in use. ENERGY: 512600 754.2735 2087.6815 1972.7678 108.6218 -206759.7002 18069.9854 0.0000 0.0000 34148.7320 -149617.6382 298.2294 -183766.3702 -149529.5973 298.9692 89.9638 120.9366 556877.9244 -17.5021 -17.5781 PRESSURE: 512800 -28.6303 -171.897 -73.1585 -171.898 -264.998 63.5616 -73.1585 63.5616 -255.111 GPRESSURE: 512800 -52.6492 -96.5329 0.759668 -127.901 -243.888 92.6062 -130.941 -24.3137 -151.51 PRESSAVG: 512800 -9.04782 -61.2498 11.0276 -61.2498 23.2238 -17.9674 11.0276 -17.9673 -18.6053 GPRESSAVG: 512800 -9.47593 -60.6244 12.7952 -63.0016 22.768 -17.5056 10.1543 -19.4541 -17.2953 TIMING: 512800 CPU: 1489.27, 0.00287734/step Wall: 1489.27, 0.00287734/step, 3.58645 hours remaining, 204.003906 MB of memory in use. ENERGY: 512800 749.0341 2047.3931 1964.6174 117.4186 -206380.9957 17678.8841 0.0000 0.0000 34181.1054 -149642.5430 298.5121 -183823.6483 -149545.8694 298.8692 -182.9129 -149.3490 558933.5890 -1.4764 -1.3344 PRESSURE: 513000 -102.538 -13.2501 -156.416 -13.2499 218.777 -42.4496 -156.416 -42.4514 -154.061 GPRESSURE: 513000 -72.0618 -75.1262 -114.583 -15.6614 262.148 18.8163 -177.334 -89.9486 -133.163 PRESSAVG: 513000 -33.9203 10.8638 25.2355 10.8638 20.9655 18.1999 25.2354 18.1998 -11.436 GPRESSAVG: 513000 -33.2544 10.79 25.5839 12.9771 20.8323 19.0649 25.7501 17.2888 -11.1183 TIMING: 513000 CPU: 1489.85, 0.00287778/step Wall: 1489.85, 0.00287778/step, 3.58683 hours remaining, 204.003906 MB of memory in use. ENERGY: 513000 743.1669 2115.2921 1961.3578 96.3682 -206429.9236 17896.0775 0.0000 0.0000 33893.3667 -149724.2944 295.9992 -183617.6611 -149635.1752 297.6750 -12.6070 18.9745 557921.3170 -8.1303 -7.8468 PRESSURE: 513200 -4.00472 -5.98537 167.802 -5.98505 -50.7501 -34.7451 167.802 -34.7455 -177.675 GPRESSURE: 513200 31.6442 -52.7872 120.95 83.8606 -39.9875 -79.9446 161.089 -80.2652 -117.547 PRESSAVG: 513200 -11.0929 0.884091 5.22147 0.884155 6.20249 -30.7855 5.22133 -30.7855 -16.6486 GPRESSAVG: 513200 -11.247 -1.71203 2.82981 2.44618 5.82772 -31.1243 5.52486 -30.6861 -15.9188 TIMING: 513200 CPU: 1490.43, 0.00289671/step Wall: 1490.43, 0.00289671/step, 3.61027 hours remaining, 204.003906 MB of memory in use. ENERGY: 513200 752.7013 2106.0124 1962.5008 115.2035 -206477.0153 17822.1665 0.0000 0.0000 34179.4405 -149538.9902 298.4976 -183718.4308 -149438.5556 297.5745 -77.4764 -41.9633 556726.4121 -7.1797 -7.1127 PRESSURE: 513400 -98.4376 -179.003 20.3168 -179.002 60.0977 79.3168 20.3175 79.3167 -54.734 GPRESSURE: 513400 -128.499 -146.163 16.977 -184.75 138.724 81.1508 -27.3514 61.74 -7.60087 PRESSAVG: 513400 -9.62981 -13.2843 47.3127 -13.2843 -9.6009 24.5174 47.3127 24.5175 5.61402 GPRESSAVG: 513400 -10.1781 -11.2134 47.8505 -15.4229 -7.59627 24.3349 47.4654 25.3197 4.10493 TIMING: 513400 CPU: 1491.01, 0.00289061/step Wall: 1491.01, 0.00289061/step, 3.6025 hours remaining, 204.003906 MB of memory in use. ENERGY: 513400 734.9926 2087.3009 1992.1036 110.3651 -206507.2966 17844.0980 0.0000 0.0000 34090.6925 -149647.7438 297.7225 -183738.4363 -149550.0656 297.5136 -31.0246 0.8747 556609.0675 -4.5389 -4.5565 PRESSURE: 513600 36.5913 -115.895 -44.702 -115.895 55.6913 -37.9915 -44.7031 -37.9923 280.208 GPRESSURE: 513600 15.4766 -131.628 8.20924 -151.67 129.432 -0.887089 -138.374 -2.19034 329.557 PRESSAVG: 513600 4.65412 8.16901 48.53 8.16903 -54.035 -11.6905 48.53 -11.6906 13.224 GPRESSAVG: 513600 4.84193 8.64452 49.9121 7.2128 -54.7592 -12.3977 48.2064 -12.4804 13.8551 TIMING: 513600 CPU: 1491.59, 0.00290252/step Wall: 1491.59, 0.00290252/step, 3.61719 hours remaining, 204.003906 MB of memory in use. ENERGY: 513600 727.4537 2034.7624 1983.7990 111.8158 -206719.5528 17995.7223 0.0000 0.0000 34172.8250 -149693.1745 298.4398 -183865.9995 -149590.8864 298.1089 124.1635 158.1552 556303.0612 -12.0523 -12.0207 PRESSURE: 513800 28.5121 -101.417 -12.028 -101.417 -3.757 -28.3897 -12.028 -28.3883 -127.518 GPRESSURE: 513800 73.834 -93.7482 -36.2821 -86.7381 -24.4676 44.0061 33.4929 -64.8582 -69.7787 PRESSAVG: 513800 13.7789 -7.3013 -7.2862 -7.30127 45.771 20.2188 -7.28629 20.2189 -85.3367 GPRESSAVG: 513800 14.2356 -7.31871 -6.74966 -8.53556 44.8948 20.907 -9.81648 19.8354 -85.3903 TIMING: 513800 CPU: 1492.17, 0.00289153/step Wall: 1492.17, 0.00289153/step, 3.60333 hours remaining, 204.003906 MB of memory in use. ENERGY: 513800 674.8809 2083.6357 1981.0432 110.2544 -206300.6835 17732.4745 0.0000 0.0000 34091.5229 -149626.8720 297.7297 -183718.3948 -149527.7080 298.1270 -34.2543 -6.8041 557612.0471 -8.5956 -8.7533 PRESSURE: 514000 -63.5101 81.2966 -73.7279 81.2968 -215.692 43.5835 -73.7283 43.5824 -146.759 GPRESSURE: 514000 2.33976 133.099 -85.6624 53.1781 -156.56 -4.24675 -37.186 43.0223 -182.964 PRESSAVG: 514000 -4.79 41.8235 37.9593 41.8235 44.8033 -8.18411 37.9593 -8.18415 -38.4605 GPRESSAVG: 514000 -4.44226 41.2929 35.6707 44.0035 45.2458 -8.71237 40.6152 -8.06929 -39.3716 TIMING: 514000 CPU: 1492.74, 0.00287892/step Wall: 1492.74, 0.00287892/step, 3.58745 hours remaining, 204.003906 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: 514000 750.4531 2055.7662 1981.5149 112.8453 -206024.6626 17505.1907 0.0000 0.0000 33984.5906 -149634.3018 296.7959 -183618.8924 -149533.2314 298.1504 -141.9870 -112.3949 557105.4667 0.5176 0.4773 PRESSURE: 514200 90.6709 -130.031 -3.11408 -130.031 200.465 -29.9402 -3.11357 -29.9405 -252.891 GPRESSURE: 514200 95.0942 -139.913 -53.4637 -88.9729 225.985 53.389 32.994 35.1035 -176.063 PRESSAVG: 514200 -35.2722 8.99758 74.5858 8.99761 97.172 45.4329 74.5859 45.4329 -29.2282 GPRESSAVG: 514200 -35.4915 7.68776 75.5948 10.6509 97.9901 45.6081 74.7303 46.8931 -29.2549 TIMING: 514200 CPU: 1493.32, 0.00288031/step Wall: 1493.32, 0.00288031/step, 3.58902 hours remaining, 204.003906 MB of memory in use. ENERGY: 514200 742.0377 2128.5406 1951.8065 113.2831 -206491.5886 17978.3568 0.0000 0.0000 33989.2797 -149588.2842 296.8368 -183577.5639 -149489.3936 297.7627 12.7486 48.3388 557743.3138 10.8906 11.0812 PRESSURE: 514400 420.113 -1.51912 -152.929 -1.5183 -54.4707 -59.1625 -152.929 -59.1626 -91.5336 GPRESSURE: 514400 441.327 -61.7018 -181.557 -17.9088 -2.70646 -147.78 -110.388 43.2387 -69.0816 PRESSAVG: 514400 50.7872 49.2117 64.9472 49.2118 74.0419 -9.46224 64.9471 -9.46217 -76.2273 GPRESSAVG: 514400 50.0467 49.863 66.1334 47.5328 74.3304 -8.87236 62.7687 -11.2667 -75.7835 TIMING: 514400 CPU: 1493.89, 0.00287738/step Wall: 1493.89, 0.00287738/step, 3.58522 hours remaining, 204.003906 MB of memory in use. ENERGY: 514400 752.3087 2116.9818 1950.9648 110.3207 -206712.8965 18177.8415 0.0000 0.0000 34095.0345 -149509.4444 297.7604 -183604.4789 -149414.8542 297.6805 91.3695 123.1798 556985.8041 16.2006 16.1979 PRESSURE: 514600 158.953 128.753 51.7685 128.753 133.456 53.5733 51.7679 53.5743 -9.12687 GPRESSURE: 514600 200.034 48.8528 105.208 106.185 125.941 38.7262 74.5216 25.1943 76.7836 PRESSAVG: 514600 43.852 47.9612 34.9015 47.9612 27.6906 -38.8818 34.9016 -38.8818 -50.9259 GPRESSAVG: 514600 44.4995 48.0505 32.6601 46.7938 26.2839 -40.3079 36.5084 -38.8144 -50.5118 TIMING: 514600 CPU: 1494.47, 0.00288256/step Wall: 1494.47, 0.00288256/step, 3.59151 hours remaining, 204.207031 MB of memory in use. ENERGY: 514600 705.8681 2089.6121 1943.1108 102.3396 -206670.8226 18084.9582 0.0000 0.0000 34196.3680 -149548.5658 298.6454 -183744.9339 -149453.5067 298.0091 94.4272 134.2528 557059.6424 6.8722 6.7572 PRESSURE: 514800 -46.8325 -49.6026 -94.5222 -49.603 -378.817 9.80248 -94.5232 9.80255 -130.751 GPRESSURE: 514800 -38.2659 -73.9094 -54.5633 -188.608 -344.287 -30.2991 -109.81 20.2598 -77.2451 PRESSAVG: 514800 -48.8518 3.75917 -46.6075 3.75924 33.5975 -17.5346 -46.6076 -17.5346 -11.931 GPRESSAVG: 514800 -48.5041 2.07281 -45.95 5.81694 33.6822 -16.9968 -46.9034 -16.3365 -11.8227 TIMING: 514800 CPU: 1495.04, 0.00285609/step Wall: 1495.04, 0.00285609/step, 3.55837 hours remaining, 204.207031 MB of memory in use. ENERGY: 514800 720.3252 2108.0821 1972.1455 94.8142 -206208.4668 17600.2345 0.0000 0.0000 34087.1675 -149625.6978 297.6917 -183712.8654 -149533.4491 297.9089 -185.4670 -153.2661 558036.9857 -9.0618 -8.8815 PRESSURE: 515000 -94.3634 -57.8626 -31.5988 -57.8637 -125.211 -2.7027 -31.5996 -2.70164 -5.59224 GPRESSURE: 515000 -16.3637 -34.2145 -101.557 -151.486 -195.326 2.41732 27.4207 -32.6343 79.3912 PRESSAVG: 515000 6.8506 -31.1626 31.9117 -31.1626 -16.0953 -54.3153 31.9117 -54.3154 28.4045 GPRESSAVG: 515000 5.71353 -29.6395 33.1575 -30.1389 -15.2488 -54.6864 31.4687 -53.6311 28.5848 TIMING: 515000 CPU: 1495.62, 0.00287481/step Wall: 1495.62, 0.00287481/step, 3.58154 hours remaining, 204.207031 MB of memory in use. ENERGY: 515000 743.3834 2119.6383 1952.0662 106.4343 -206278.2617 17763.7683 0.0000 0.0000 34069.1654 -149523.8060 297.5345 -183592.9714 -149418.4388 297.8047 -75.0557 -44.0996 556033.5499 6.3866 6.3499 PRESSURE: 515200 124.014 152.714 219.647 152.713 33.6918 -13.2252 219.649 -13.2244 -182.437 GPRESSURE: 515200 101.271 172.229 180.756 105.501 100.932 -48.4578 285.692 34.1737 -132.924 PRESSAVG: 515200 35.1047 36.7234 40.997 36.7235 -10.276 5.45031 40.997 5.45032 6.06469 GPRESSAVG: 515200 34.3577 38.9385 40.7733 32.4483 -9.35302 6.76196 40.9795 5.22893 6.63168 TIMING: 515200 CPU: 1496.19, 0.00288237/step Wall: 1496.19, 0.00288237/step, 3.5908 hours remaining, 204.207031 MB of memory in use. ENERGY: 515200 711.0436 2106.0916 1964.6907 112.0290 -206311.8095 17796.7697 0.0000 0.0000 34087.6736 -149533.5112 297.6961 -183621.1848 -149436.7454 298.2229 -8.2438 23.0931 557289.4139 10.2978 10.5455 PRESSURE: 515400 -163.901 -43.4536 29.5248 -43.4546 -100.893 93.805 29.526 93.8033 82.3057 GPRESSURE: 515400 -152.83 5.16418 102.153 -11.3602 -40.1179 53.2751 -34.0319 84.2253 93.764 PRESSAVG: 515400 -46.6396 39.3375 20.9719 39.3375 -28.4832 -21.1574 20.9719 -21.1573 45.9062 GPRESSAVG: 515400 -45.3287 37.1469 23.4125 41.2019 -29.2891 -21.2792 19.3072 -21.3568 45.6893 TIMING: 515400 CPU: 1496.77, 0.00288437/step Wall: 1496.77, 0.00288437/step, 3.59312 hours remaining, 204.207031 MB of memory in use. ENERGY: 515400 746.2553 2085.1041 1953.3231 104.3740 -206073.2295 17703.1843 0.0000 0.0000 34072.3813 -149408.6076 297.5626 -183480.9889 -149306.8524 298.8333 -60.8294 -33.0613 557858.2007 -9.7389 -9.6428 PRESSURE: 515600 -251.036 133.341 -73.017 133.341 -92.9434 -138.779 -73.0168 -138.779 30.5869 GPRESSURE: 515600 -202.237 143.748 -57.6698 48.8324 -43.6942 -115.655 -132.926 -121.396 34.4058 PRESSAVG: 515600 -21.2303 15.0731 -16.6988 15.0729 46.5981 33.6289 -16.6989 33.6289 -18.5788 GPRESSAVG: 515600 -21.4565 15.8209 -17.7125 15.6407 46.2107 34.4617 -16.3873 31.9007 -18.1702 TIMING: 515600 CPU: 1497.35, 0.00289135/step Wall: 1497.35, 0.00289135/step, 3.60165 hours remaining, 204.207031 MB of memory in use. ENERGY: 515600 783.1297 2141.4564 1956.7808 106.7250 -206385.3724 17678.1693 0.0000 0.0000 34247.6048 -149471.5063 299.0929 -183719.1112 -149371.0098 298.7469 -104.4642 -70.5084 557186.7826 2.2630 2.1947 PRESSURE: 515800 -121.194 -102.778 132.847 -102.776 192.979 43.5001 132.846 43.5004 -141.191 GPRESSURE: 515800 -120.048 -104.345 93.3329 24.4074 202.055 4.1494 128.634 45.6398 -60.0884 PRESSAVG: 515800 4.45613 18.7884 3.99793 18.7884 16.3135 6.10717 3.9979 6.10716 -22.2368 GPRESSAVG: 515800 5.34535 18.4931 2.96667 20.4593 15.9636 4.5347 5.12469 7.9781 -22.2796 TIMING: 515800 CPU: 1497.93, 0.00291196/step Wall: 1497.93, 0.00291196/step, 3.62717 hours remaining, 204.207031 MB of memory in use. ENERGY: 515800 768.7695 2114.6699 1986.5911 110.7490 -206552.1564 17873.8144 0.0000 0.0000 34271.0410 -149426.5216 299.2975 -183697.5626 -149337.1322 298.9236 -23.1354 7.3063 557088.7705 -0.4891 -0.3235 PRESSURE: 516000 -195.411 25.2144 35.24 25.214 -327.257 78.6182 35.2394 78.6182 -305.418 GPRESSURE: 516000 -152.944 52.1145 29.7929 1.15376 -305.71 40.5589 17.8695 79.4719 -277.834 PRESSAVG: 516000 -41.8285 6.98954 -6.08167 6.98964 22.0695 25.7716 -6.08155 25.7717 8.73642 GPRESSAVG: 516000 -42.4845 5.64855 -7.59941 5.98838 22.283 25.6228 -5.57503 24.2795 9.00817 TIMING: 516000 CPU: 1498.51, 0.00289593/step Wall: 1498.51, 0.00289593/step, 3.60704 hours remaining, 204.207031 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: 516000 743.1063 2081.6789 1980.1597 114.3219 -206082.8250 17620.4728 0.0000 0.0000 34153.8707 -149389.2148 298.2742 -183543.0855 -149294.8487 299.2806 -276.0287 -245.4963 558270.3036 -3.6742 -3.7311 PRESSURE: 516200 103.235 -5.1134 -42.7699 -5.11219 -147.861 35.3411 -42.7695 35.3421 88.9169 GPRESSURE: 516200 136.728 -1.21726 92.1018 16.5116 -74.815 -9.96917 -64.3435 99.6499 81.1616 PRESSAVG: 516200 54.309 25.3484 -39.3545 25.3485 -14.2868 -10.6931 -39.3545 -10.693 -30.3469 GPRESSAVG: 516200 55.0799 27.1062 -40.0042 24.2001 -14.7314 -10.6774 -38.8284 -9.90459 -30.0981 TIMING: 516200 CPU: 1499.08, 0.00287928/step Wall: 1499.08, 0.00287928/step, 3.58614 hours remaining, 204.207031 MB of memory in use. ENERGY: 516200 783.7519 2163.7136 1969.2710 114.4723 -206371.9176 17897.7975 0.0000 0.0000 34104.1133 -149338.7980 297.8397 -183442.9113 -149250.0651 299.5340 14.7635 47.6914 556909.1682 3.2251 3.4168 LDB: ============= START OF LOAD BALANCING ============== 1502.55 LDB: ============== END OF LOAD BALANCING =============== 1502.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1502.55 LDB: ============= START OF LOAD BALANCING ============== 1502.84 LDB: Largest compute 4820 load 0.025496 is 21.7% of average load 0.117559 LDB: Average compute 0.001715 is 1.5% of average load 0.117559 LDB: TIME 1502.84 LOAD: AVG 0.117559 MAX 0.176159 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.285 MB LDB: TIME 1502.84 LOAD: AVG 0.117559 MAX 0.176159 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.523 MB LDB: TIME 1502.84 LOAD: AVG 0.117559 MAX 0.176159 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1502.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1502.85 PRESSURE: 516400 30.7571 136.054 -1.88863 136.053 86.2249 97.5517 -1.88899 97.5537 -233.676 GPRESSURE: 516400 53.7194 200.784 123.002 71.4509 107.985 189.683 -54.4202 33.0281 -182.199 PRESSAVG: 516400 35.5118 34.4166 14.9236 34.4167 -56.3435 53.2453 14.9234 53.2451 9.38055 GPRESSAVG: 516400 34.7343 34.7343 15.7029 33.8977 -55.5321 53.5019 14.1612 52.3328 9.8433 TIMING: 516400 CPU: 1499.67, 0.00294356/step Wall: 1499.67, 0.00294356/step, 3.66604 hours remaining, 203.933594 MB of memory in use. ENERGY: 516400 798.7151 2081.2332 1984.7553 134.2067 -206469.1922 18027.0999 0.0000 0.0000 34244.3296 -149198.8524 299.0642 -183443.1819 -149099.4776 299.1147 -38.8980 -6.8315 556713.4901 -3.8171 -3.6515 PRESSURE: 516600 204.914 19.2219 -49.408 19.2207 -171.874 24.9712 -49.4092 24.9706 22.1035 GPRESSURE: 516600 300.122 -3.71184 -116.208 54.6249 -175.567 20.5126 -4.2315 -27.3649 24.0468 PRESSAVG: 516600 110.398 22.1951 -23.2765 22.195 -43.5263 57.6297 -23.2766 57.6298 -50.9509 GPRESSAVG: 516600 110.529 21.1095 -23.2241 23.3649 -43.6626 59.1857 -25.2026 57.77 -50.3852 TIMING: 516600 CPU: 1500.25, 0.00286921/step Wall: 1500.25, 0.00286921/step, 3.57329 hours remaining, 204.132812 MB of memory in use. ENERGY: 516600 729.4105 2135.4797 1977.3465 125.4581 -205886.9618 17764.3018 0.0000 0.0000 34079.0959 -149075.8694 297.6212 -183154.9653 -148976.3673 299.5966 18.3812 49.5340 557678.4091 5.3070 5.4939 PRESSURE: 516800 -157.65 134.851 75.2985 134.851 -59.1801 -118.111 75.2991 -118.111 -35.3804 GPRESSURE: 516800 -73.9559 74.2843 132.522 173.86 -33.6448 -126.954 5.23473 -53.7457 -57.126 PRESSAVG: 516800 -5.79324 9.84285 28.9784 9.84284 -10.5758 36.5722 28.9784 36.5722 -0.30542 GPRESSAVG: 516800 -4.26176 8.75064 29.2834 10.0488 -11.6657 35.126 30.92 37.4645 -1.39539 TIMING: 516800 CPU: 1500.83, 0.00289074/step Wall: 1500.83, 0.00289074/step, 3.59993 hours remaining, 204.132812 MB of memory in use. ENERGY: 516800 749.2024 2094.3884 1963.2473 102.3982 -205610.4900 17530.7463 0.0000 0.0000 34125.5624 -149044.9451 298.0270 -183170.5074 -148953.1608 299.5930 -84.0702 -54.9089 558725.8879 -5.5581 -5.7743 PRESSURE: 517000 -99.308 39.1904 -191.323 39.1913 285.271 -135.034 -191.323 -135.034 -16.3141 GPRESSURE: 517000 -9.78941 77.4196 -219.303 -12.3105 338.293 -103.234 -187.81 -84.9882 -73.6648 PRESSAVG: 517000 -27.841 8.63423 59.596 8.63432 8.26383 -18.7825 59.5959 -18.7827 32.3275 GPRESSAVG: 517000 -29.8823 9.02188 57.4141 7.58939 9.75426 -19.5717 60.8394 -19.3251 32.5896 TIMING: 517000 CPU: 1501.41, 0.00291984/step Wall: 1501.41, 0.00291984/step, 3.63601 hours remaining, 204.132812 MB of memory in use. ENERGY: 517000 753.6859 2076.0015 1950.2283 109.0346 -206263.5325 17952.9881 0.0000 0.0000 34336.1360 -149085.4581 299.8660 -183421.5941 -148985.2251 299.8856 56.5497 84.9463 556902.9238 4.2501 4.1538 PRESSURE: 517200 -175.769 -33.1388 76.0925 -33.1383 -15.0241 0.199979 76.0934 0.199945 -151.333 GPRESSURE: 517200 -133.896 16.6344 41.0664 3.73675 -2.23932 15.3635 148.401 66.6815 -115.459 PRESSAVG: 517200 -4.95091 17.4217 -3.88399 17.4217 -37.284 -4.99233 -3.88395 -4.99235 -17.0638 GPRESSAVG: 517200 -3.43064 19.1388 -0.975019 18.0714 -39.6574 -3.94762 -4.64276 -5.81117 -16.7097 TIMING: 517200 CPU: 1501.99, 0.00292774/step Wall: 1501.99, 0.00292774/step, 3.64568 hours remaining, 204.132812 MB of memory in use. ENERGY: 517200 762.5136 2171.6279 1965.1504 112.3988 -205863.9739 17693.6803 0.0000 0.0000 34278.8183 -148879.7847 299.3654 -183158.6030 -148788.4553 299.5046 -114.0420 -83.8647 558388.6079 -19.7663 -19.9326 PRESSURE: 517400 -28.2991 38.6307 -96.0902 38.6308 -101.769 94.5576 -96.0913 94.5567 -118.766 GPRESSURE: 517400 -15.533 18.7467 -96.9925 93.4732 -70.8092 39.7765 -124.577 104.893 -78.4742 PRESSAVG: 517400 -16.3447 1.90675 -31.715 1.90681 19.6828 22.0451 -31.7149 22.045 -24.1426 GPRESSAVG: 517400 -17.6698 -0.186688 -29.6523 3.18436 20.4943 19.3447 -33.5121 24.5759 -23.5502 TIMING: 517400 CPU: 1502.58, 0.00292218/step Wall: 1502.58, 0.00292218/step, 3.6386 hours remaining, 204.132812 MB of memory in use. ENERGY: 517400 730.9547 2101.6987 1967.2763 117.9112 -205806.2409 17662.4958 0.0000 0.0000 34318.0462 -148907.8580 299.7080 -183225.9042 -148821.3601 299.3968 -82.9448 -54.9388 558038.0641 -6.9349 -6.9086 PRESSURE: 517600 48.1292 -206.731 87.0381 -206.73 -83.6021 -22.0684 87.0377 -22.0679 117.133 GPRESSURE: 517600 41.3522 -155.9 74.0153 -185.599 -27.8194 -96.7972 67.0416 -81.323 167.226 PRESSAVG: 517600 62.8295 -26.1126 33.0095 -26.1126 -93.579 9.20057 33.0094 9.2005 35.2652 GPRESSAVG: 517600 63.5218 -26.0918 32.0136 -27.5442 -94.3527 12.5084 31.7953 7.53324 34.9712 TIMING: 517600 CPU: 1503.16, 0.00292704/step Wall: 1503.16, 0.00292704/step, 3.64449 hours remaining, 204.132812 MB of memory in use. ENERGY: 517600 771.4414 2138.3033 1952.1479 126.0939 -206274.5762 17906.4136 0.0000 0.0000 34515.9724 -148864.2039 301.4366 -183380.1763 -148761.6501 299.7649 27.2200 60.2531 557328.4722 1.5052 1.3801 PRESSURE: 517800 126.83 116.878 101.727 116.878 148.972 71.452 101.726 71.4516 234.195 GPRESSURE: 517800 166.784 159.066 148.651 60.5332 155.621 27.8758 29.6288 23.8643 279.794 PRESSAVG: 517800 -32.7495 27.2952 39.4735 27.2952 56.7982 -73.121 39.4735 -73.1211 -17.2184 GPRESSAVG: 517800 -33.1351 29.7291 39.0342 26.0957 57.244 -76.6812 42.9523 -72.3218 -17.0028 TIMING: 517800 CPU: 1503.75, 0.00291511/step Wall: 1503.75, 0.00291511/step, 3.62947 hours remaining, 204.132812 MB of memory in use. ENERGY: 517800 779.5710 2097.5320 1968.5156 109.9662 -206114.6898 18145.4523 0.0000 0.0000 34407.5743 -148606.0783 300.4899 -183013.6526 -148513.5155 300.7860 169.9988 200.7332 558476.9183 2.2768 2.3687 PRESSURE: 518000 37.7032 29.7882 38.6071 29.7879 -81.0409 -26.2732 38.6071 -26.2728 217.359 GPRESSURE: 518000 71.9891 20.5803 -51.0739 -35.0665 -59.9111 47.3766 111.464 -40.4382 262.473 PRESSAVG: 518000 -20.4636 37.8537 9.89708 37.8538 -5.84118 -11.3062 9.89703 -11.3062 36.1121 GPRESSAVG: 518000 -21.1031 36.7222 8.88848 38.327 -4.93347 -10.0255 6.44321 -12.1585 36.375 TIMING: 518000 CPU: 1504.33, 0.00289453/step Wall: 1504.33, 0.00289453/step, 3.60369 hours remaining, 204.132812 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: 518000 776.3127 2131.3207 1988.2257 102.0875 -206269.5607 18037.8345 0.0000 0.0000 34476.2588 -148757.5208 301.0897 -183233.7796 -148657.5034 300.5441 58.0072 91.5169 558089.3682 3.2691 3.4462 PRESSURE: 518200 -150.045 -4.00813 -84.0231 -4.00781 92.0588 -3.68051 -84.0225 -3.68086 -157.898 GPRESSURE: 518200 -133.491 -13.5284 -86.6092 15.845 97.3169 -40.7739 -65.2811 0.222127 -90.8174 PRESSAVG: 518200 -0.55461 -8.53629 71.6082 -8.53638 -6.92949 21.2748 71.6082 21.2749 17.8343 GPRESSAVG: 518200 0.526102 -8.59199 71.9194 -7.233 -6.72498 22.0671 72.0537 21.2681 16.8775 TIMING: 518200 CPU: 1504.91, 0.00291357/step Wall: 1504.91, 0.00291357/step, 3.62723 hours remaining, 204.132812 MB of memory in use. ENERGY: 518200 752.5821 2119.7778 1955.5559 121.5208 -205674.8395 17637.1273 0.0000 0.0000 34421.3440 -148666.9318 300.6102 -183088.2757 -148565.4379 300.5166 -71.9613 -42.3305 559086.2182 3.4501 3.5595 PRESSURE: 518400 -358.908 181.962 110.036 181.961 -151.693 164.601 110.035 164.599 -148.99 GPRESSURE: 518400 -285.677 204.631 112.357 242.281 -152.063 171.796 17.3445 133.018 -136.633 PRESSAVG: 518400 -61.0338 66.5815 -20.7247 66.5816 37.1567 74.7326 -20.7247 74.7324 22.1706 GPRESSAVG: 518400 -60.5375 67.5089 -19.749 65.4287 37.5719 75.7302 -19.5485 74.16 20.9839 TIMING: 518400 CPU: 1505.49, 0.00290175/step Wall: 1505.49, 0.00290175/step, 3.61235 hours remaining, 204.132812 MB of memory in use. ENERGY: 518400 746.3453 2118.0073 1966.1133 116.1709 -205409.4255 17327.8811 0.0000 0.0000 34507.6490 -148627.2585 301.3639 -183134.9075 -148530.2306 300.6841 -219.8636 -191.4578 557852.0416 -0.5688 -0.6606 PRESSURE: 518600 -179.166 -163.527 3.84355 -163.527 -77.219 -39.2876 3.84289 -39.288 72.232 GPRESSURE: 518600 -109.32 -128.913 47.5938 -69.5925 -29.2195 -57.7878 -10.0226 -35.0722 56.5509 PRESSAVG: 518600 7.17501 77.2555 -43.6878 77.2555 -24.897 33.7066 -43.6878 33.7066 37.574 GPRESSAVG: 518600 5.12945 76.7223 -45.8849 78.3445 -24.9804 32.2448 -43.1608 35.0521 39.5755 TIMING: 518600 CPU: 1506.07, 0.00291125/step Wall: 1506.07, 0.00291125/step, 3.62402 hours remaining, 204.132812 MB of memory in use. ENERGY: 518600 773.9545 2097.6281 1939.8283 104.2751 -205526.2411 17583.9794 0.0000 0.0000 34342.7774 -148683.7983 299.9240 -183026.5757 -148595.0078 301.1037 -61.3844 -27.3294 556423.0517 6.6173 6.5748 PRESSURE: 518800 -350.632 91.1996 101.228 91.1987 -224.808 26.0974 101.228 26.0958 -257.822 GPRESSURE: 518800 -359.3 47.0548 117.156 30.7916 -185.58 34.9195 115.418 73.1853 -191.422 PRESSAVG: 518800 -2.61511 34.3073 8.45498 34.3073 80.195 40.0503 8.45503 40.0502 -53.6718 GPRESSAVG: 518800 -2.43332 34.934 11.1966 30.435 79.8558 39.4131 6.06315 39.3118 -53.6789 TIMING: 518800 CPU: 1506.65, 0.00290517/step Wall: 1506.65, 0.00290517/step, 3.61629 hours remaining, 204.132812 MB of memory in use. ENERGY: 518800 758.2531 2044.1552 1991.1879 103.2326 -205384.2879 17267.0112 0.0000 0.0000 34485.9624 -148734.4855 301.1745 -183220.4479 -148631.6956 300.9183 -277.7542 -245.4339 558122.5089 7.9694 7.9145 PRESSURE: 519000 16.8969 63.7935 -122.517 63.7938 -31.6645 235.458 -122.518 235.459 70.2901 GPRESSURE: 519000 61.7382 77.8855 -135.051 88.9413 13.4989 134.937 -52.2732 236.605 74.7912 PRESSAVG: 519000 -20.3132 66.7234 -20.9988 66.7233 20.0067 -5.3849 -20.9988 -5.38487 -3.87544 GPRESSAVG: 519000 -20.5751 67.1122 -23.4297 66.7244 20.1448 -4.1628 -18.328 -6.12418 -4.05291 TIMING: 519000 CPU: 1507.23, 0.00290213/step Wall: 1507.23, 0.00290213/step, 3.61235 hours remaining, 204.132812 MB of memory in use. ENERGY: 519000 703.7121 2148.6253 1943.4122 112.8631 -206003.4153 17700.9332 0.0000 0.0000 34406.2121 -148987.6575 300.4780 -183393.8696 -148893.8155 300.3375 18.5075 50.0094 557107.6361 -1.3940 -1.4944 PRESSURE: 519200 -88.8491 209.443 -54.0574 209.444 115.71 140.423 -54.0571 140.423 -18.8369 GPRESSURE: 519200 -51.5248 185.24 -2.80283 152.657 127.409 99.6021 -55.213 208.712 14.2748 PRESSAVG: 519200 -29.4112 -11.2588 -44.3467 -11.2587 17.4471 -9.20033 -44.3468 -9.20022 19.8948 GPRESSAVG: 519200 -28.2548 -11.8561 -41.4242 -10.1638 17.0872 -11.6275 -46.3814 -8.29992 19.6423 TIMING: 519200 CPU: 1507.81, 0.00288993/step Wall: 1507.81, 0.00288993/step, 3.597 hours remaining, 204.132812 MB of memory in use. ENERGY: 519200 726.7635 2066.4600 1966.0733 120.6102 -205778.4135 17628.8505 0.0000 0.0000 34281.4017 -148988.2542 299.3880 -183269.6559 -148897.5892 299.9202 2.6748 30.0529 557018.2649 2.6436 2.8249 PRESSURE: 519400 -49.3154 -103.058 52.0306 -103.058 -125.114 122.268 52.0294 122.268 -110.971 GPRESSURE: 519400 -14.249 -158.686 -4.18991 -23.1663 -60.9011 132.384 71.4422 142.65 -124.752 PRESSAVG: 519400 4.19493 46.588 48.8102 46.588 9.94548 13.5877 48.8102 13.5877 -11.4084 GPRESSAVG: 519400 4.51886 45.611 48.2814 46.4578 9.82775 16.2481 49.726 14.0801 -10.2864 TIMING: 519400 CPU: 1508.38, 0.00286442/step Wall: 1508.38, 0.00286442/step, 3.56509 hours remaining, 204.132812 MB of memory in use. ENERGY: 519400 769.2827 2097.7089 1926.9323 119.5755 -205737.9780 17660.0462 0.0000 0.0000 34325.3420 -148839.0905 299.7717 -183164.4324 -148742.4823 300.3050 -95.1335 -66.6341 557548.5535 0.9107 1.3534 PRESSURE: 519600 -453.899 -246.256 171.245 -246.256 -87.9113 39.9019 171.244 39.9016 -422.89 GPRESSURE: 519600 -465.403 -92.2176 129.688 -313.792 -85.272 48.7225 78.7762 22.9699 -326.646 PRESSAVG: 519600 -46.0363 -81.6358 46.5953 -81.6359 65.3594 20.4001 46.5952 20.4001 -36.2426 GPRESSAVG: 519600 -46.3615 -79.6501 45.6579 -80.9319 64.9369 19.2373 45.2714 19.7339 -35.8379 TIMING: 519600 CPU: 1508.96, 0.00287961/step Wall: 1508.96, 0.00287961/step, 3.58383 hours remaining, 204.132812 MB of memory in use. ENERGY: 519600 802.2797 2066.4542 1966.5656 111.0776 -205507.4037 17324.7998 0.0000 0.0000 34341.3037 -148894.9232 299.9111 -183236.2269 -148795.4099 300.6111 -321.5669 -292.4405 558565.5703 -5.6398 -5.7542 PRESSURE: 519800 6.70632 -231.212 -242.84 -231.211 -61.4958 56.1874 -242.84 56.1865 0.0148304 GPRESSURE: 519800 42.2879 -259.625 -237.826 -203.868 -12.7865 45.6238 -273.519 11.3112 19.9332 PRESSAVG: 519800 -46.19 40.6395 -30.7623 40.6395 38.0066 3.78748 -30.7623 3.78743 9.35455 GPRESSAVG: 519800 -46.6718 38.4251 -32.3302 40.4462 39.086 4.33038 -27.3811 3.10211 8.85478 TIMING: 519800 CPU: 1509.54, 0.00288399/step Wall: 1509.54, 0.00288399/step, 3.58913 hours remaining, 204.199219 MB of memory in use. ENERGY: 519800 715.2513 2076.1316 1955.7622 111.4114 -205790.8846 17730.5809 0.0000 0.0000 34278.3768 -148923.3704 299.3616 -183201.7473 -148825.6551 299.6175 -18.2582 16.4782 558028.1022 0.3904 0.4230 PRESSURE: 520000 -44.5748 -129.248 -16.2263 -129.248 59.8056 -142.959 -16.2283 -142.957 156.749 GPRESSURE: 520000 10.6244 -124.013 8.72195 -130.804 79.4869 -195.055 -9.2486 -96.9429 171.481 PRESSAVG: 520000 -41.5503 -1.12866 -31.0219 -1.12851 38.2255 -4.40256 -31.0219 -4.40269 66.0028 GPRESSAVG: 520000 -41.6034 -0.605373 -28.757 -0.0917596 38.7136 -4.71249 -29.8144 -4.66696 65.947 TIMING: 520000 CPU: 1510.11, 0.00287903/step Wall: 1510.11, 0.00287903/step, 3.58279 hours remaining, 204.199219 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: 520000 722.4237 2068.0233 1966.6244 108.3934 -205961.6290 17853.2479 0.0000 0.0000 34360.5123 -148882.4041 300.0789 -183242.9164 -148788.9169 299.8006 57.3264 87.1974 557834.9804 20.8927 21.0190 PRESSURE: 520200 -222.761 -85.8734 50.8966 -85.8735 -176.684 -61.7425 50.8967 -61.7428 153.409 GPRESSURE: 520200 -169.738 -92.8409 -11.5374 -88.8118 -111.654 -79.8257 53.8399 -41.2923 137.076 PRESSAVG: 520200 -63.4576 3.55802 24.6986 3.55797 -10.8882 -6.79303 24.6986 -6.79295 39.6637 GPRESSAVG: 520200 -63.9353 4.07632 22.7274 2.70369 -10.2144 -5.83809 23.5367 -6.4402 39.7116 TIMING: 520200 CPU: 1510.69, 0.00288611/step Wall: 1510.69, 0.00288611/step, 3.59144 hours remaining, 204.199219 MB of memory in use. ENERGY: 520200 780.4007 2097.5564 1976.2682 115.6393 -206082.2358 17695.3542 0.0000 0.0000 34303.2839 -149113.7332 299.5791 -183417.0171 -149019.1629 300.0523 -82.0119 -48.1050 557372.0115 -11.5607 -11.4794 LDB: ============= START OF LOAD BALANCING ============== 1514.15 LDB: ============== END OF LOAD BALANCING =============== 1514.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1514.15 LDB: ============= START OF LOAD BALANCING ============== 1514.44 LDB: Largest compute 4826 load 0.025302 is 21.5% of average load 0.117650 LDB: Average compute 0.001720 is 1.5% of average load 0.117650 LDB: TIME 1514.45 LOAD: AVG 0.11765 MAX 0.176912 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.445 MB LDB: TIME 1514.45 LOAD: AVG 0.11765 MAX 0.176912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.648 MB LDB: TIME 1514.45 LOAD: AVG 0.11765 MAX 0.176912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1514.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1514.45 PRESSURE: 520400 -236.098 -105.128 -22.6731 -105.128 -132.405 -84.0264 -22.6743 -84.0256 127.724 GPRESSURE: 520400 -216.96 -41.0125 -39.2627 -119.129 -58.7891 -16.5903 -29.3818 -99.5859 140.619 PRESSAVG: 520400 -94.4399 28.9654 49.4859 28.9653 -17.3956 74.4986 49.4859 74.4985 92.4575 GPRESSAVG: 520400 -94.4554 28.6482 51.2327 29.9821 -18.404 74.7625 47.1497 76.3816 92.893 TIMING: 520400 CPU: 1511.28, 0.00293519/step Wall: 1511.28, 0.00293519/step, 3.65236 hours remaining, 205.082031 MB of memory in use. ENERGY: 520400 737.5984 2135.8306 1949.4768 112.3212 -205975.8622 17713.6544 0.0000 0.0000 34195.9799 -149131.0009 298.6420 -183326.9808 -149033.5071 299.4900 -80.2598 -45.0434 557736.6458 -6.4593 -6.6555 PRESSURE: 520600 -131.384 -197.844 84.1151 -197.844 74.82 131.531 84.1173 131.53 77.0692 GPRESSURE: 520600 -64.3614 -142.774 73.6598 -184.383 70.9341 59.9045 28.7598 136.529 116.304 PRESSAVG: 520600 -86.1316 -8.85658 -3.21886 -8.85657 16.0099 61.5808 -3.21895 61.5807 74.5769 GPRESSAVG: 520600 -85.5754 -8.44779 -4.16559 -10.1485 17.0507 61.1009 -2.15347 61.5397 72.7852 TIMING: 520600 CPU: 1511.85, 0.0028839/step Wall: 1511.85, 0.0028839/step, 3.58837 hours remaining, 205.285156 MB of memory in use. ENERGY: 520600 753.2594 2111.7520 1969.3024 115.7653 -206273.9309 17866.0603 0.0000 0.0000 34351.1270 -149106.6645 299.9969 -183457.7915 -149007.1133 299.5169 6.8350 40.9588 557559.2843 1.4851 1.4202 PRESSURE: 520800 173.363 -133.963 -156.333 -133.964 315.887 48.7327 -156.331 48.7323 298.719 GPRESSURE: 520800 208.174 -84.1541 -84.9776 -89.287 391.129 -27.4784 -265.23 131.621 271.471 PRESSAVG: 520800 -15.8013 -5.19194 23.7751 -5.19192 -33.3 41.0756 23.7751 41.0756 27.8349 GPRESSAVG: 520800 -14.9905 -3.88343 24.1527 -6.13756 -34.4478 40.6691 24.1168 40.3156 27.9407 TIMING: 520800 CPU: 1512.43, 0.00288239/step Wall: 1512.43, 0.00288239/step, 3.58634 hours remaining, 205.285156 MB of memory in use. ENERGY: 520800 752.4386 2096.3552 1994.1873 110.0459 -206923.8878 18287.5117 0.0000 0.0000 34445.2719 -149238.0772 300.8191 -183683.3491 -149141.8632 299.6486 262.6561 290.2580 556101.9555 -7.0888 -7.1659 PRESSURE: 521000 25.9952 75.5956 5.88772 75.5938 -22.5066 -3.42362 5.89027 -3.42187 -93.8322 GPRESSURE: 521000 85.2467 84.4709 48.0659 64.3176 -75.8964 -32.2629 37.5191 -9.10117 -2.00425 PRESSAVG: 521000 25.9815 3.72827 -47.3259 3.72821 -5.35144 80.8664 -47.3258 80.8664 -23.727 GPRESSAVG: 521000 24.3036 2.91415 -46.0542 3.96537 -5.66295 81.1993 -45.3917 79.2301 -21.4098 TIMING: 521000 CPU: 1513.01, 0.00288899/step Wall: 1513.01, 0.00288899/step, 3.59439 hours remaining, 205.285156 MB of memory in use. ENERGY: 521000 742.6447 2106.9113 1964.0256 116.2081 -206372.4793 17808.3346 0.0000 0.0000 34385.3297 -149249.0254 300.2956 -183634.3551 -149150.8028 299.9238 -30.1145 2.4487 557204.9120 -1.0323 -0.9230 PRESSURE: 521200 67.0985 49.8777 147.335 49.8781 -21.6566 8.6751 147.334 8.67404 -91.8432 GPRESSURE: 521200 125.914 66.4121 105.375 10.7034 -9.35881 -50.2586 242.7 -3.55328 -56.8554 PRESSAVG: 521200 -10.8606 87.2597 2.61469 87.2597 58.3391 90.6644 2.61475 90.6643 10.1617 GPRESSAVG: 521200 -10.6674 85.0408 1.33921 90.0195 58.8584 90.3324 1.8525 92.8208 9.53055 TIMING: 521200 CPU: 1513.58, 0.00287426/step Wall: 1513.58, 0.00287426/step, 3.57589 hours remaining, 205.484375 MB of memory in use. ENERGY: 521200 767.8802 2087.0591 1978.4478 115.5057 -206339.8057 18011.1778 0.0000 0.0000 34240.5230 -149139.2121 299.0310 -183379.7350 -149039.3901 299.1044 -15.4671 19.8999 559019.5390 19.2134 19.2405 PRESSURE: 521400 -308.556 81.547 -14.7949 81.5468 -139.619 -172.571 -14.7958 -172.571 -138.688 GPRESSURE: 521400 -239.591 72.6731 -78.9189 173.902 -92.5651 -220.034 -50.6884 -176.687 -170.555 PRESSAVG: 521400 18.7809 32.0419 -2.6073 32.0418 -21.1589 20.2526 -2.60725 20.2526 -32.213 GPRESSAVG: 521400 19.5056 34.9911 -2.89653 29.8057 -20.8724 20.1916 -5.11035 20.3927 -32.8085 TIMING: 521400 CPU: 1514.16, 0.00286965/step Wall: 1514.16, 0.00286965/step, 3.57 hours remaining, 205.484375 MB of memory in use. ENERGY: 521400 774.5930 2118.5159 1986.2219 120.4872 -206010.5182 17613.7807 0.0000 0.0000 34247.3771 -149149.5426 299.0909 -183396.9196 -149047.1552 300.0031 -195.6212 -167.5702 557606.2519 -11.5304 -11.3918 PRESSURE: 521600 31.5704 93.988 91.4624 93.987 118.93 8.2902 91.4621 8.28968 247.231 GPRESSURE: 521600 116.474 62.4345 169.535 31.239 166.936 -15.6011 15.7441 3.56751 209.27 PRESSAVG: 521600 -1.23855 -11.6868 14.8367 -11.6867 -4.86942 -28.1248 14.8367 -28.1247 -36.0343 GPRESSAVG: 521600 -1.0261 -12.5073 16.466 -9.66061 -5.08084 -27.5221 14.5311 -28.6178 -35.7825 TIMING: 521600 CPU: 1514.73, 0.00287386/step Wall: 1514.73, 0.00287386/step, 3.57508 hours remaining, 205.484375 MB of memory in use. ENERGY: 521600 727.5859 2112.1515 2004.7922 109.5630 -206356.3979 18126.3016 0.0000 0.0000 34208.6843 -149067.3193 298.7529 -183276.0036 -148971.3888 299.2543 132.5772 164.2265 557269.8077 -14.0474 -13.9631 PRESSURE: 521800 -98.7101 -120.444 -72.3213 -120.443 -513.887 14.1336 -72.321 14.1337 -267.152 GPRESSURE: 521800 -46.9927 -105.242 -69.496 -151.765 -499.128 5.84642 -86.0187 -46.2355 -244.424 PRESSAVG: 521800 -8.37778 40.6668 11.7744 40.6668 -53.543 -21.5126 11.7744 -21.5126 17.1863 GPRESSAVG: 521800 -7.60914 39.8986 12.7055 39.8697 -53.0643 -22.8095 11.1834 -21.7115 15.8597 TIMING: 521800 CPU: 1515.31, 0.0028761/step Wall: 1515.31, 0.0028761/step, 3.57771 hours remaining, 205.484375 MB of memory in use. ENERGY: 521800 748.9317 2060.1519 1961.5086 118.0532 -205846.8817 17502.6640 0.0000 0.0000 34206.8113 -149248.7609 298.7366 -183455.5722 -149155.7430 299.3480 -293.2495 -263.5151 560448.1145 -14.9115 -14.9379 PRESSURE: 522000 169.727 -1.11566 -18.6608 -1.1148 -196.355 63.8766 -18.6598 63.8777 -158.014 GPRESSURE: 522000 172.209 -45.7324 -52.8654 39.2811 -128.604 10.9403 121.58 113.467 -139.005 PRESSAVG: 522000 -2.91887 7.15375 -34.352 7.1538 -43.7391 26.2153 -34.3519 26.2154 16.3737 GPRESSAVG: 522000 -3.59284 8.37745 -35.3776 7.13939 -43.4644 26.2211 -33.2918 27.8862 16.9396 TIMING: 522000 CPU: 1515.88, 0.00288652/step Wall: 1515.88, 0.00288652/step, 3.59051 hours remaining, 205.484375 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: 522000 749.8858 2115.2323 1960.6235 107.9186 -206392.2685 17896.9293 0.0000 0.0000 34276.0491 -149285.6299 299.3413 -183561.6790 -149187.9901 298.3756 -61.5473 -31.7999 559729.6641 -10.0948 -10.0392 PRESSURE: 522200 -270.701 -96.0883 78.9093 -96.0882 -187.165 79.4591 78.9088 79.4583 -1.99962 GPRESSURE: 522200 -215.199 4.60933 125.772 -207.598 -122.049 118.556 55.6193 102.184 -16.2989 PRESSAVG: 522200 19.2694 17.5333 13.83 17.5334 -60.7643 -34.2886 13.83 -34.2885 40.3384 GPRESSAVG: 522200 20.1448 17.3342 13.0922 18.269 -61.3204 -32.09 15.4732 -36.3722 40.5848 TIMING: 522200 CPU: 1516.46, 0.00288871/step Wall: 1516.46, 0.00288871/step, 3.59307 hours remaining, 205.484375 MB of memory in use. ENERGY: 522200 731.1050 2130.6185 1986.6723 109.7934 -205954.0819 17508.3250 0.0000 0.0000 34036.9026 -149450.6650 297.2527 -183487.5676 -149357.6663 297.7615 -153.2885 -117.8490 559826.8259 -0.3855 -0.1970 PRESSURE: 522400 349.36 106.062 40.492 106.062 141.803 -103.112 40.4914 -103.112 150.321 GPRESSURE: 522400 343.197 69.0912 -14.3483 87.3991 198.733 -42.2751 109.906 -61.9012 200.268 PRESSAVG: 522400 19.4946 29.8132 -7.46683 29.8131 48.498 -51.5571 -7.46688 -51.557 -59.9287 GPRESSAVG: 522400 19.2354 29.8282 -7.44815 29.9201 48.6649 -53.3821 -9.21825 -49.088 -60.448 TIMING: 522400 CPU: 1517.04, 0.00289225/step Wall: 1517.04, 0.00289225/step, 3.59732 hours remaining, 205.484375 MB of memory in use. ENERGY: 522400 699.2430 2099.1097 1999.0394 109.5480 -206585.8913 18036.1800 0.0000 0.0000 34090.6699 -149552.1013 297.7223 -183642.7712 -149451.6958 298.8414 213.8280 247.3993 557179.8419 2.6880 2.4841 PRESSURE: 522600 -208.11 -73.9428 25.3368 -73.9426 -67.6168 -57.4374 25.3368 -57.4361 -93.3023 GPRESSURE: 522600 -187.779 -2.9803 12.2653 -131.851 0.761398 -22.6369 80.4306 -117.368 -87.9312 PRESSAVG: 522600 -44.8678 59.0785 19.7621 59.0786 3.79573 -45.2832 19.7621 -45.2832 -11.0133 GPRESSAVG: 522600 -44.9699 57.4939 19.5123 59.3443 3.63828 -44.3773 19.2159 -45.9685 -10.3926 TIMING: 522600 CPU: 1517.62, 0.0028966/step Wall: 1517.62, 0.0028966/step, 3.60256 hours remaining, 205.484375 MB of memory in use. ENERGY: 522600 727.4788 2050.0531 1979.1275 107.1760 -206404.4415 17675.9452 0.0000 0.0000 34191.9801 -149672.6809 298.6071 -183864.6610 -149575.4090 298.0689 -123.0098 -91.6496 557154.4033 -17.3618 -17.2414 PRESSURE: 522800 7.80682 132.407 -7.14165 132.407 -11.503 130.423 -7.142 130.424 28.9034 GPRESSURE: 522800 31.5475 113.988 41.34 93.7913 3.37274 83.7762 -19.8549 154.924 90.9871 PRESSAVG: 522800 -47.809 7.78143 -0.0400581 7.78146 -18.0374 -11.5804 -0.0401817 -11.5804 69.3959 GPRESSAVG: 522800 -48.5783 9.03396 -0.545998 6.8419 -17.5414 -12.7795 2.18139 -12.1569 69.9075 TIMING: 522800 CPU: 1518.2, 0.00290545/step Wall: 1518.2, 0.00290545/step, 3.61341 hours remaining, 205.484375 MB of memory in use. ENERGY: 522800 742.9608 2137.2614 1973.5075 109.2612 -206158.4557 17623.7348 0.0000 0.0000 33981.1254 -149590.6047 296.7656 -183571.7300 -149491.9279 298.0367 8.4024 41.9691 556711.8580 1.1832 1.2626 PRESSURE: 523000 -125.983 11.8332 102.938 11.8335 113.305 94.1597 102.938 94.1592 105.985 GPRESSURE: 523000 -97.3932 64.2761 98.5846 -6.6902 100.334 9.65323 101.083 104.719 183.517 PRESSAVG: 523000 -31.1536 1.35757 -55.0423 1.35755 52.7474 6.70598 -55.0423 6.70609 -5.2145 GPRESSAVG: 523000 -31.0966 -0.293675 -53.5062 1.30474 52.2115 8.88522 -55.9194 4.89347 -5.05901 TIMING: 523000 CPU: 1518.78, 0.00289118/step Wall: 1518.78, 0.00289118/step, 3.5955 hours remaining, 205.484375 MB of memory in use. ENERGY: 523000 768.2153 2086.2533 1966.0128 108.8738 -206417.2601 17894.4218 0.0000 0.0000 33992.6533 -149600.8298 296.8663 -183593.4831 -149502.8073 297.7308 31.1026 62.1528 556668.6822 5.4598 5.3520 PRESSURE: 523200 -656.768 -155.706 131.089 -155.706 -106.66 121.749 131.089 121.749 -368.532 GPRESSURE: 523200 -617.819 -210.284 160.075 -123.488 -79.8561 34.9427 82.0366 76.4352 -332.842 PRESSAVG: 523200 -71.3131 -57.4604 8.88384 -57.4604 37.9666 -25.9217 8.88383 -25.9218 36.9052 GPRESSAVG: 523200 -70.9932 -55.9707 9.10019 -58.4556 38.7941 -27.8819 9.1296 -23.5927 36.3772 TIMING: 523200 CPU: 1519.36, 0.00290173/step Wall: 1519.36, 0.00290173/step, 3.60847 hours remaining, 205.484375 MB of memory in use. ENERGY: 523200 761.3423 2056.4657 1947.4703 133.7119 -205508.1071 17114.4808 0.0000 0.0000 34150.2537 -149344.3825 298.2427 -183494.6361 -149246.6878 298.4924 -377.3202 -343.5057 558505.4407 1.1862 1.3927 PRESSURE: 523400 -290.772 33.7799 -22.2207 33.7793 -135.157 -81.4404 -22.22 -81.4393 -51.6481 GPRESSURE: 523400 -275.201 79.2302 -20.6677 -36.5637 -112.41 -27.3636 43.415 -113.916 -1.721 PRESSAVG: 523400 -30.2499 -65.3262 32.7822 -65.3262 -13.4716 32.0594 32.7822 32.0594 19.845 GPRESSAVG: 523400 -31.5773 -64.3936 33.0076 -62.4151 -12.8341 31.1242 31.6008 31.349 20.8243 TIMING: 523400 CPU: 1519.94, 0.00288778/step Wall: 1519.94, 0.00288778/step, 3.59095 hours remaining, 205.484375 MB of memory in use. ENERGY: 523400 738.7919 2084.6985 1966.8385 114.5184 -205857.3453 17533.4257 0.0000 0.0000 34076.3970 -149342.6754 297.5977 -183419.0724 -149250.9885 298.7885 -159.1922 -129.7774 558086.9641 -7.9589 -7.8624 PRESSURE: 523600 52.3415 37.893 98.4736 37.8931 90.7738 7.58856 98.4744 7.58847 129.456 GPRESSURE: 523600 122.872 4.11604 56.2163 146.121 112.45 26.375 27.6351 13.083 135.171 PRESSAVG: 523600 34.6069 -11.7368 10.9486 -11.7367 -66.7462 26.3947 10.9486 26.3948 42.9486 GPRESSAVG: 523600 36.1749 -13.1882 9.28289 -12.3295 -67.4691 27.6799 11.7655 25.5743 42.3677 TIMING: 523600 CPU: 1520.51, 0.00288424/step Wall: 1520.51, 0.00288424/step, 3.5864 hours remaining, 205.484375 MB of memory in use. ENERGY: 523600 751.0098 2101.6741 1974.1298 121.2830 -206511.3812 17996.4183 0.0000 0.0000 34141.5626 -149425.3036 298.1668 -183566.8662 -149331.5579 297.6832 90.8572 123.4976 555831.0089 3.6031 3.6912 PRESSURE: 523800 -144.479 59.0081 -110.749 59.0073 -58.9951 -33.9194 -110.749 -33.9203 -170.491 GPRESSURE: 523800 -156.36 -28.5061 -122.532 235.805 -61.2624 -40.8304 -79.5746 -8.12434 -58.5742 PRESSAVG: 523800 22.8342 -17.4459 -40.7713 -17.446 34.3457 9.63131 -40.7713 9.63123 22.0535 GPRESSAVG: 523800 22.6615 -15.7229 -40.6143 -16.498 34.0145 10.4093 -40.8515 11.3654 22.5238 TIMING: 523800 CPU: 1521.09, 0.00289206/step Wall: 1521.09, 0.00289206/step, 3.59595 hours remaining, 205.484375 MB of memory in use. ENERGY: 523800 785.1446 2139.8408 1935.4903 105.1852 -206135.0749 17744.8984 0.0000 0.0000 34159.5383 -149264.9773 298.3237 -183424.5156 -149177.5493 298.4947 -124.6549 -92.0656 556983.0692 26.4111 26.3999 PRESSURE: 524000 -36.925 -106.015 -168.879 -106.014 63.1131 46.2813 -168.88 46.2826 31.7005 GPRESSURE: 524000 -61.1524 -147.889 -153.717 -90.2584 125.367 -11.187 -167.332 76.2666 84.4045 PRESSAVG: 524000 -17.0374 -25.8558 -23.5692 -25.8558 -25.5855 -14.4139 -23.5693 -14.4138 38.5455 GPRESSAVG: 524000 -17.2483 -27.6153 -23.8648 -27.924 -24.9531 -13.4857 -23.9344 -16.0825 37.7611 TIMING: 524000 CPU: 1521.67, 0.00288774/step Wall: 1521.67, 0.00288774/step, 3.59042 hours remaining, 205.484375 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: 524000 753.3025 2078.3644 1985.8935 110.6750 -205725.2520 17558.6623 0.0000 0.0000 34054.2224 -149184.1319 297.4040 -183238.3543 -149098.4593 298.8395 19.2962 49.5397 556955.0701 -1.3591 -1.4801 PRESSURE: 524200 40.5776 44.4324 -150.77 44.4321 -42.823 26.6554 -150.77 26.6539 -216.717 GPRESSURE: 524200 73.2304 75.7805 -98.3052 101.736 -64.5446 25.6822 -206.154 15.3412 -134.029 PRESSAVG: 524200 21.2274 45.5629 -83.5314 45.563 -38.592 -8.01286 -83.5313 -8.01278 29.8233 GPRESSAVG: 524200 20.621 46.6632 -83.3443 45.0759 -37.9078 -8.30834 -83.7466 -6.58462 29.9177 TIMING: 524200 CPU: 1522.25, 0.00287823/step Wall: 1522.25, 0.00287823/step, 3.57844 hours remaining, 205.484375 MB of memory in use. ENERGY: 524200 773.2104 2041.7335 1964.3039 127.0532 -205935.5416 17759.2944 0.0000 0.0000 34132.6342 -149137.3120 298.0888 -183269.9462 -149042.8510 299.2692 -72.9875 -41.7811 558203.6235 4.1529 4.2103 LDB: ============= START OF LOAD BALANCING ============== 1525.71 LDB: ============== END OF LOAD BALANCING =============== 1525.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1525.71 LDB: ============= START OF LOAD BALANCING ============== 1526 LDB: Largest compute 4826 load 0.025716 is 21.9% of average load 0.117506 LDB: Average compute 0.001717 is 1.5% of average load 0.117506 LDB: TIME 1526 LOAD: AVG 0.117506 MAX 0.178663 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.5 MB LDB: TIME 1526 LOAD: AVG 0.117506 MAX 0.178663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.633 MB LDB: TIME 1526 LOAD: AVG 0.117506 MAX 0.178663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1526.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1526.01 PRESSURE: 524400 -242.11 106.409 -62.3387 106.41 166.434 9.7828 -62.3388 9.78391 -14.5361 GPRESSURE: 524400 -206.441 115.473 -157.567 76.7596 207.23 82.2227 -24.0138 1.18794 15.1838 PRESSAVG: 524400 -23.5678 5.47073 -15.2594 5.47086 27.5464 -38.6329 -15.2593 -38.6328 -1.34892 GPRESSAVG: 524400 -22.6237 4.45964 -14.2798 7.00398 26.9032 -40.3165 -15.9653 -40.1086 -1.13006 TIMING: 524400 CPU: 1522.83, 0.00294344/step Wall: 1522.83, 0.00294344/step, 3.65935 hours remaining, 203.472656 MB of memory in use. ENERGY: 524400 748.5977 2120.9388 1962.3887 119.6651 -206226.4939 17820.3785 0.0000 0.0000 34147.6931 -149306.8320 298.2203 -183454.5250 -149215.1217 298.7580 -30.0707 5.3243 558048.1178 0.8766 1.0498 PRESSURE: 524600 -224.96 -40.472 93.8068 -40.4722 -302.166 82.571 93.8062 82.5691 -0.620523 GPRESSURE: 524600 -192.595 49.1155 43.6645 -14.922 -229.578 107.247 95.1072 56.0643 -13.9584 PRESSAVG: 524600 -49.2776 24.3369 -5.85914 24.337 -20.0425 44.4774 -5.85906 44.4775 43.876 GPRESSAVG: 524600 -50.3537 25.7684 -4.87526 23.6608 -19.1872 45.1206 -4.09592 45.4056 43.9599 TIMING: 524600 CPU: 1523.41, 0.002884/step Wall: 1523.41, 0.002884/step, 3.58529 hours remaining, 203.472656 MB of memory in use. ENERGY: 524600 748.2355 2091.6467 1973.8429 112.8585 -205919.6623 17623.5474 0.0000 0.0000 34085.0434 -149284.4879 297.6732 -183369.5313 -149188.1366 298.4733 -175.9156 -145.3771 559813.6792 -8.4814 -8.5270 PRESSURE: 524800 -241.486 20.7551 -85.4976 20.7561 200.52 218.32 -85.4975 218.32 -1.55023 GPRESSURE: 524800 -128.658 59.5769 -29.4867 40.0457 202.363 194.032 -152.45 222.536 -10.0607 PRESSAVG: 524800 -10.4361 16.7701 -36.6097 16.7701 -0.138134 60.6057 -36.6099 60.6057 36.6702 GPRESSAVG: 524800 -10.217 16.0739 -39.0793 16.9981 -1.32943 60.7476 -37.7638 60.9529 37.4601 TIMING: 524800 CPU: 1523.99, 0.00287619/step Wall: 1523.99, 0.00287619/step, 3.57543 hours remaining, 203.691406 MB of memory in use. ENERGY: 524800 752.1433 2060.3684 1976.1362 105.8231 -206205.3716 17933.4526 0.0000 0.0000 34144.4999 -149232.9480 298.1924 -183377.4480 -149131.7716 298.7710 -14.1721 21.2149 559566.5454 8.6987 8.6379 PRESSURE: 525000 -56.7399 -59.6754 -23.1805 -59.6749 -126.35 133.082 -23.181 133.082 232.405 GPRESSURE: 525000 -45.486 -19.9526 37.0592 -125.887 -115.348 167.681 -91.7163 70.742 293.494 PRESSAVG: 525000 -66.3511 23.6321 -42.7215 23.632 -29.7854 86.57 -42.7216 86.5699 36.7604 GPRESSAVG: 525000 -66.9066 23.1335 -40.6679 22.1956 -28.9071 86.4246 -42.6084 85.7387 36.7216 TIMING: 525000 CPU: 1524.56, 0.00288402/step Wall: 1524.56, 0.00288402/step, 3.585 hours remaining, 203.691406 MB of memory in use. ENERGY: 525000 729.4082 2083.8404 1994.4535 115.9210 -206047.5850 17887.3721 0.0000 0.0000 34125.0918 -149111.4979 298.0229 -183236.5897 -149018.7891 298.9656 16.4382 44.2198 560255.3345 -19.7921 -19.6974 PRESSURE: 525200 204.13 -23.1441 -93.9372 -23.1446 -77.3649 61.6452 -93.9385 61.6457 181.37 GPRESSURE: 525200 219.681 -27.1255 -90.176 19.9857 -50.1676 71.7829 -167.523 10.6345 238.525 PRESSAVG: 525200 7.92312 3.55233 -17.5973 3.5523 -17.7672 27.3835 -17.5974 27.3835 9.16933 GPRESSAVG: 525200 8.68274 3.56352 -19.0666 5.56699 -18.42 28.2959 -16.7488 27.5002 9.23582 TIMING: 525200 CPU: 1525.14, 0.00289138/step Wall: 1525.14, 0.00289138/step, 3.59399 hours remaining, 203.691406 MB of memory in use. ENERGY: 525200 734.0342 2039.7295 1926.5901 100.8441 -206079.8083 17934.7571 0.0000 0.0000 34506.0473 -148837.8060 301.3499 -183343.8534 -148733.7584 299.7846 102.7118 136.0129 559137.0940 -0.2249 -0.1671 PRESSURE: 525400 32.8906 95.0381 201.979 95.0389 -29.0421 37.0265 201.979 37.0279 -222.324 GPRESSURE: 525400 38.5094 160.964 150.742 89.1961 -13.0335 15.0609 181.196 41.7374 -149.362 PRESSAVG: 525400 10.6564 43.3377 -20.5057 43.3377 -35.5419 17.5588 -20.5057 17.5588 21.9135 GPRESSAVG: 525400 10.5638 43.6117 -21.8038 43.6854 -35.5218 17.4692 -20.949 17.9136 22.1545 TIMING: 525400 CPU: 1525.72, 0.00290082/step Wall: 1525.72, 0.00290082/step, 3.60555 hours remaining, 203.691406 MB of memory in use. ENERGY: 525400 691.6444 2045.1431 1962.8316 114.4364 -205830.5035 17811.1560 0.0000 0.0000 34320.6624 -148884.6297 299.7309 -183205.2921 -148784.1352 300.4096 -72.8253 -41.2955 559716.4121 -0.9907 -0.9345 PRESSURE: 525600 -63.6479 119.515 15.456 119.516 -147.766 33.8518 15.4573 33.8508 -198.928 GPRESSURE: 525600 -53.5746 132.527 26.6391 30.569 -99.7559 -52.2152 26.1605 107.799 -168.48 PRESSAVG: 525600 -36.7013 -11.4568 56.8965 -11.4567 50.0439 14.5718 56.8965 14.5719 54.8296 GPRESSAVG: 525600 -36.9211 -10.8155 57.7618 -12.906 50.9848 14.0993 57.6197 14.1189 54.0747 TIMING: 525600 CPU: 1526.3, 0.00287824/step Wall: 1526.3, 0.00287824/step, 3.57733 hours remaining, 203.691406 MB of memory in use. ENERGY: 525600 713.3728 2011.3442 1966.1529 118.6440 -205502.0618 17514.2860 0.0000 0.0000 34528.4091 -148649.8528 301.5452 -183178.2619 -148548.9312 300.2443 -136.7806 -107.2703 559373.8909 22.7241 22.7128 PRESSURE: 525800 71.8392 145.065 3.06983 145.064 -10.1172 -2.94356 3.07059 -2.94508 23.5352 GPRESSURE: 525800 83.338 56.4344 91.7509 129.728 -57.9674 37.2721 -37.2272 -14.4998 155.524 PRESSAVG: 525800 10.6557 39.5779 54.0163 39.5778 -52.5637 -22.9855 54.0162 -22.9855 92.9012 GPRESSAVG: 525800 10.7422 38.6194 54.789 41.0043 -52.7031 -23.6139 54.8242 -22.6925 93.1046 TIMING: 525800 CPU: 1526.88, 0.00290095/step Wall: 1526.88, 0.00290095/step, 3.60539 hours remaining, 203.753906 MB of memory in use. ENERGY: 525800 726.0696 2027.6651 1960.0853 97.4628 -205309.7903 17567.4460 0.0000 0.0000 34268.2792 -148662.7822 299.2734 -182931.0615 -148565.8588 300.5889 28.4191 60.2981 559870.4424 16.9977 17.0479 PRESSURE: 526000 -407.191 31.5552 -26.616 31.5567 102.679 -59.9479 -26.6157 -59.9469 -219.014 GPRESSURE: 526000 -336.77 77.2299 -63.6684 -0.734644 122.108 -99.951 -50.2818 -71.6639 -223.69 PRESSAVG: 526000 -54.5405 3.1298 65.6927 3.12992 54.2129 -48.0727 65.6927 -48.0727 -12.1898 GPRESSAVG: 526000 -54.2201 3.56641 66.6259 1.49115 54.0471 -49.4526 63.2208 -47.7304 -11.9881 TIMING: 526000 CPU: 1527.46, 0.00290549/step Wall: 1527.46, 0.00290549/step, 3.61088 hours remaining, 203.753906 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: 526000 758.6827 2065.8099 1957.9508 132.1031 -205810.8939 17814.1280 0.0000 0.0000 34383.9023 -148698.3172 300.2832 -183082.2195 -148604.4200 300.8455 -174.5089 -146.1173 560814.7187 -4.1725 -4.0537 PRESSURE: 526200 27.8289 67.271 168.178 67.2697 9.34642 183.454 168.178 183.452 -150.937 GPRESSURE: 526200 77.6082 98.2335 131.165 101.253 43.5325 89.8401 153.033 280.685 -136.783 PRESSAVG: 526200 -68.69 -23.5451 -1.37043 -23.5451 56.0332 -8.18874 -1.37039 -8.18871 -4.95251 GPRESSAVG: 526200 -68.6773 -21.7474 -2.59118 -23.4145 55.0148 -6.90418 -1.09726 -7.61543 -4.63327 TIMING: 526200 CPU: 1528.03, 0.00288394/step Wall: 1528.03, 0.00288394/step, 3.58393 hours remaining, 203.753906 MB of memory in use. ENERGY: 526200 725.4866 2073.7361 1957.6280 115.3418 -205563.5803 17711.1490 0.0000 0.0000 34432.9879 -148547.2508 300.7118 -182980.2388 -148450.1926 300.8040 -37.9205 -5.2141 559960.4550 -5.8698 -6.0986 PRESSURE: 526400 -67.7941 22.4057 -83.6621 22.4065 -174.789 -222.971 -83.6632 -222.973 -247.594 GPRESSURE: 526400 -44.5825 127.488 -161.858 -138.389 -157.616 -131.296 -27.6051 -310.743 -187.298 PRESSAVG: 526400 1.35799 16.8877 11.4138 16.8877 -39.8405 13.0628 11.4138 13.0627 24.9859 GPRESSAVG: 526400 1.26839 17.2814 13.2613 16.3795 -38.4456 14.2471 12.4771 11.2226 24.2523 TIMING: 526400 CPU: 1528.61, 0.00289411/step Wall: 1528.61, 0.00289411/step, 3.59641 hours remaining, 203.957031 MB of memory in use. ENERGY: 526400 782.4427 2042.9516 1943.4012 111.7167 -205516.3953 17723.6417 0.0000 0.0000 34297.4446 -148614.7968 299.5281 -182912.2414 -148521.8651 300.5970 -163.3925 -129.8322 559804.3681 -4.4989 -4.3083 PRESSURE: 526600 44.5244 38.7574 -105.181 38.7576 134.272 75.7313 -105.181 75.7321 -292.813 GPRESSURE: 526600 98.7194 49.727 -107.924 12.1403 135.532 152.312 -130.047 -29.2799 -246.813 PRESSAVG: 526600 -11.6746 -38.384 -87.338 -38.384 -17.0222 -60.3672 -87.338 -60.3673 33.7232 GPRESSAVG: 526600 -11.1937 -41.8485 -89.1778 -39.4871 -17.9751 -61.1511 -87.9081 -60.226 34.6663 TIMING: 526600 CPU: 1529.19, 0.0029014/step Wall: 1529.19, 0.0029014/step, 3.60532 hours remaining, 203.957031 MB of memory in use. ENERGY: 526600 752.0970 2099.5541 1989.6937 123.2556 -205289.3200 17602.2967 0.0000 0.0000 34267.7443 -148454.6785 299.2687 -182722.4228 -148360.5207 300.9960 -38.0057 -4.1874 560014.3596 1.6755 1.8325 PRESSURE: 526800 -25.5191 -110.25 106.87 -110.251 -402.638 -19.0851 106.87 -19.0866 6.91567 GPRESSURE: 526800 3.14073 -107.534 100.173 -150.451 -336.407 -21.1399 172.031 -14.658 18.5329 PRESSAVG: 526800 -47.4705 31.5029 -14.4549 31.5029 -46.0895 -22.7105 -14.4549 -22.7105 52.5588 GPRESSAVG: 526800 -47.2049 31.172 -14.3437 33.1091 -45.0578 -22.8514 -15.271 -24.9201 51.3465 TIMING: 526800 CPU: 1529.78, 0.00291091/step Wall: 1529.78, 0.00291091/step, 3.61697 hours remaining, 203.957031 MB of memory in use. ENERGY: 526800 759.8795 2076.4842 1974.8205 109.0879 -205508.2552 17658.6593 0.0000 0.0000 34409.3885 -148519.9354 300.5057 -182929.3238 -148422.7989 301.0815 -140.4137 -104.9113 560116.8243 -13.6671 -13.6388 PRESSURE: 527000 -195.779 31.4147 -44.6099 31.4139 -264.914 -2.88097 -44.6113 -2.88238 -171.241 GPRESSURE: 527000 -194.432 35.1177 -22.2784 59.1358 -236.709 -28.4187 -22.4244 0.706164 -90.2175 PRESSAVG: 527000 16.9581 -17.9846 27.6342 -17.9846 -83.5383 -1.94674 27.6342 -1.94677 29.2095 GPRESSAVG: 527000 15.85 -16.455 25.6536 -18.5418 -84.6943 -1.65413 29.986 1.44482 31.2392 TIMING: 527000 CPU: 1530.36, 0.00290545/step Wall: 1530.36, 0.00290545/step, 3.61002 hours remaining, 203.957031 MB of memory in use. ENERGY: 527000 722.1701 2141.6004 1956.6149 100.9953 -205398.4724 17531.6563 0.0000 0.0000 34459.9266 -148485.5088 300.9471 -182945.4354 -148386.4259 301.1564 -210.6449 -173.7861 559741.9241 -12.4569 -12.5350 PRESSURE: 527200 -96.8699 -22.7453 155.972 -22.7445 164.287 -109.355 155.972 -109.356 -410.764 GPRESSURE: 527200 -95.0858 -2.66989 78.9047 -28.0687 203.444 -51.9987 239.636 -128.552 -367.025 PRESSAVG: 527200 -7.37202 1.36933 7.53236 1.3694 -13.6359 4.00511 7.53228 4.00508 39.7303 GPRESSAVG: 527200 -6.39122 0.34902 7.12774 0.776329 -13.1067 4.61563 9.37458 2.77578 38.1443 TIMING: 527200 CPU: 1530.94, 0.00289091/step Wall: 1530.94, 0.00289091/step, 3.5918 hours remaining, 203.957031 MB of memory in use. ENERGY: 527200 743.7220 2106.7303 1955.4489 116.7892 -205429.0405 17562.9903 0.0000 0.0000 34421.1740 -148522.1859 300.6087 -182943.3598 -148428.2660 300.8230 -114.4489 -86.2223 559643.2303 6.2408 6.2155 PRESSURE: 527400 -259.848 137.766 -86.8643 137.765 25.906 -75.7658 -86.8629 -75.7665 51.321 GPRESSURE: 527400 -226.671 132.947 1.67215 129.528 119.094 -146.311 -103.515 30.8747 17.1849 PRESSAVG: 527400 1.47591 36.5379 23.2064 36.538 -1.37306 -59.9188 23.2064 -59.9187 -19.6901 GPRESSAVG: 527400 0.417613 35.61 25.8863 36.708 -2.12269 -61.7773 19.0219 -58.5745 -17.9793 TIMING: 527400 CPU: 1531.51, 0.00287327/step Wall: 1531.51, 0.00287327/step, 3.56972 hours remaining, 203.957031 MB of memory in use. ENERGY: 527400 730.0230 2138.1824 1958.2659 102.3400 -205559.7727 17634.9698 0.0000 0.0000 34479.5288 -148516.4629 301.1183 -182995.9917 -148412.9497 301.0669 -60.8738 -30.1307 558661.4467 -6.5291 -6.5615 PRESSURE: 527600 84.0162 73.1795 -173.044 73.1797 -98.5077 32.2095 -173.044 32.2095 70.7936 GPRESSURE: 527600 126.912 125.014 -186.956 57.3653 -59.2339 62.6288 -105.85 49.1374 81.7804 PRESSAVG: 527600 30.3679 35.4392 -29.2649 35.4393 1.22314 31.7204 -29.265 31.7203 -40.532 GPRESSAVG: 527600 32.2655 37.6529 -29.8512 34.509 0.780374 30.9902 -28.0699 31.4369 -41.8482 TIMING: 527600 CPU: 1532.09, 0.00287983/step Wall: 1532.09, 0.00287983/step, 3.57771 hours remaining, 203.957031 MB of memory in use. ENERGY: 527600 756.6419 2065.8331 1961.2322 103.7246 -205725.9738 17807.9392 0.0000 0.0000 34551.4895 -148479.1133 301.7468 -183030.6028 -148378.0068 301.4666 18.7674 49.8195 558014.3451 -2.9803 -2.9341 PRESSURE: 527800 -75.7453 198.465 24.7988 198.463 -193.649 49.1179 24.7978 49.1187 -44.0499 GPRESSURE: 527800 -60.388 213.102 58.2137 147.19 -93.7615 48.6531 -3.49459 22.5278 -58.7416 PRESSAVG: 527800 -22.2825 38.5711 43.6806 38.5711 2.05449 23.7486 43.6806 23.7485 -10.4268 GPRESSAVG: 527800 -24.0595 36.0833 45.223 40.0559 3.68872 23.9938 44.2199 25.1752 -10.4856 TIMING: 527800 CPU: 1532.66, 0.00288868/step Wall: 1532.66, 0.00288868/step, 3.58855 hours remaining, 203.957031 MB of memory in use. ENERGY: 527800 743.9836 2112.5218 1983.1547 114.8851 -205763.5207 17640.1364 0.0000 0.0000 34490.3182 -148678.5209 301.2125 -183168.8390 -148581.2946 300.6634 -104.4815 -70.9637 559185.9423 -10.2183 -10.2855 PRESSURE: 528000 -59.4558 147.886 40.0621 147.885 -40.0394 45.1692 40.0633 45.1687 240.504 GPRESSURE: 528000 -23.3079 128.347 59.394 189.049 9.6434 -34.6292 -8.12304 25.0517 252.741 PRESSAVG: 528000 -7.28732 5.4833 -15.9679 5.48318 -8.58603 16.4661 -15.9679 16.4661 -31.4748 GPRESSAVG: 528000 -7.67263 5.06906 -17.1321 4.87856 -8.51007 17.9765 -19.0385 12.1527 -31.1147 TIMING: 528000 CPU: 1533.24, 0.00289283/step Wall: 1533.24, 0.00289283/step, 3.59353 hours remaining, 203.957031 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: 528000 738.5351 2080.3052 2017.3208 113.8738 -205980.8974 17950.2802 0.0000 0.0000 34404.2769 -148676.3054 300.4611 -183080.5823 -148580.7969 300.9131 47.0028 79.6922 558368.2872 -15.7827 -15.7658 PRESSURE: 528200 23.0076 -22.5705 -79.005 -22.5701 182.265 -46.5782 -79.0064 -46.5796 65.9579 GPRESSURE: 528200 53.1918 16.0478 -104.56 21.1999 218.316 -79.3521 31.8558 10.2684 81.1473 PRESSAVG: 528200 9.095 55.4732 31.852 55.4732 -46.0974 -31.4386 31.8519 -31.4385 -31.0455 GPRESSAVG: 528200 10.329 58.5042 33.5171 54.172 -46.6456 -33.392 30.3883 -28.6688 -32.0266 TIMING: 528200 CPU: 1533.82, 0.00290101/step Wall: 1533.82, 0.002901/step, 3.60353 hours remaining, 203.957031 MB of memory in use. ENERGY: 528200 752.8395 2066.5612 1986.7123 123.1847 -205873.3663 17820.5828 0.0000 0.0000 34391.6273 -148731.8584 300.3506 -183123.4857 -148632.9889 300.5859 90.4101 117.5516 558599.1022 -22.6826 -22.7811 LDB: ============= START OF LOAD BALANCING ============== 1537.29 LDB: ============== END OF LOAD BALANCING =============== 1537.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1537.29 LDB: ============= START OF LOAD BALANCING ============== 1537.58 LDB: Largest compute 4827 load 0.026247 is 22.3% of average load 0.117552 LDB: Average compute 0.001716 is 1.5% of average load 0.117552 LDB: TIME 1537.58 LOAD: AVG 0.117552 MAX 0.179706 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.086 MB LDB: TIME 1537.58 LOAD: AVG 0.117552 MAX 0.179706 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.148 MB LDB: TIME 1537.58 LOAD: AVG 0.117552 MAX 0.179706 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.148 MB LDB: ============== END OF LOAD BALANCING =============== 1537.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1537.59 PRESSURE: 528400 259.19 107.348 119.217 107.348 -128.707 -46.6756 119.218 -46.6744 -189.646 GPRESSURE: 528400 257.364 137.111 114.054 86.5447 -83.2058 -71.7309 77.7104 -115.402 -130.818 PRESSAVG: 528400 14.8852 31.3763 15.5301 31.3762 -12.6764 9.55615 15.53 9.55617 5.4633 GPRESSAVG: 528400 15.1861 27.7932 13.4809 34.0496 -12.3503 11.4128 19.3213 10.2699 5.02692 TIMING: 528400 CPU: 1534.41, 0.00295832/step Wall: 1534.41, 0.00295832/step, 3.67456 hours remaining, 204.449219 MB of memory in use. ENERGY: 528400 766.6836 2195.0328 1969.9442 111.0362 -206099.5032 17905.8611 0.0000 0.0000 34347.4134 -148803.5318 299.9645 -183150.9452 -148699.1376 300.1077 -19.7210 14.4470 558532.1949 2.5574 2.6209 PRESSURE: 528600 43.6283 -0.377246 168.091 -0.377222 -35.2643 107.845 168.089 107.846 133.311 GPRESSURE: 528600 121.141 -2.13977 211.501 -24.4961 -10.8079 84.6663 191.44 88.9984 127.81 PRESSAVG: 528600 22.2534 72.0537 50.7498 72.0536 -14.8346 -60.6246 50.7498 -60.6246 -27.3779 GPRESSAVG: 528600 21.4487 72.1443 50.5026 72.277 -16.3021 -61.1349 49.5684 -62.1066 -25.0202 TIMING: 528600 CPU: 1534.99, 0.00290231/step Wall: 1534.99, 0.00290231/step, 3.60483 hours remaining, 204.449219 MB of memory in use. ENERGY: 528600 775.7783 2114.6194 1983.2755 118.0032 -206164.4669 17956.4471 0.0000 0.0000 34331.2372 -148885.1063 299.8232 -183216.3435 -148788.7845 299.9047 47.2250 79.3811 558911.3613 -6.6531 -6.6245 PRESSURE: 528800 -189.545 -65.4831 210.199 -65.484 -277.889 49.3639 210.2 49.3642 -25.5974 GPRESSURE: 528800 -142.31 -101.618 124.889 -121.91 -231.822 117.449 248.268 45.1681 -19.0629 PRESSAVG: 528800 48.4896 51.4636 40.8806 51.4636 -33.9773 3.48974 40.8805 3.48983 -9.17259 GPRESSAVG: 528800 47.8669 52.436 41.6586 50.9067 -34.4919 2.64553 41.7541 3.1292 -7.98317 TIMING: 528800 CPU: 1535.58, 0.00290996/step Wall: 1535.58, 0.00290996/step, 3.61417 hours remaining, 204.449219 MB of memory in use. ENERGY: 528800 754.0436 2103.4520 1971.5681 117.6491 -206343.5593 17932.7790 0.0000 0.0000 34452.4463 -149011.6213 300.8818 -183464.0676 -148912.9574 299.7626 -164.3440 -131.0648 559353.2708 1.7799 1.7973 PRESSURE: 529000 -149.321 40.6106 9.0079 40.6102 -61.9916 -8.17478 9.00817 -8.17257 -214.384 GPRESSURE: 529000 -99.4445 81.2988 108.713 50.4851 -61.174 -50.0044 -6.62976 -8.8271 -172.385 PRESSAVG: 529000 -31.9206 -6.19994 13.4873 -6.19986 -18.9045 21.7013 13.4872 21.7014 25.4885 GPRESSAVG: 529000 -32.4717 -4.71749 13.6049 -7.4105 -17.7212 22.5864 13.1966 21.4028 23.8636 TIMING: 529000 CPU: 1536.15, 0.00288529/step Wall: 1536.15, 0.00288529/step, 3.58337 hours remaining, 204.449219 MB of memory in use. ENERGY: 529000 773.9655 2133.1848 1975.4391 118.4875 -205784.5442 17584.9295 0.0000 0.0000 34242.8662 -148955.6716 299.0515 -183198.5377 -148857.3645 299.6359 -141.8989 -111.0013 559016.0099 -8.4455 -8.7765 PRESSURE: 529200 52.2075 -64.5394 119.116 -64.5393 17.864 -156.203 119.116 -156.202 384.679 GPRESSURE: 529200 59.3503 -57.7659 88.1418 -88.9653 80.7823 -215.786 130.539 -115.905 416.855 PRESSAVG: 529200 58.1771 -1.5408 49.8836 -1.54077 -49.1204 -21.3731 49.8835 -21.3731 12.9575 GPRESSAVG: 529200 57.8315 -1.98965 51.2011 0.367855 -49.8517 -21.8188 50.2215 -20.0087 13.9784 TIMING: 529200 CPU: 1536.73, 0.00287956/step Wall: 1536.73, 0.00287956/step, 3.57609 hours remaining, 204.449219 MB of memory in use. ENERGY: 529200 770.1494 2079.1942 1931.7594 119.2523 -206238.8313 18058.1566 0.0000 0.0000 34286.1551 -148994.1642 299.4295 -183280.3193 -148898.8142 299.7478 151.5836 185.6625 558419.4176 7.3381 7.3194 PRESSURE: 529400 -123.55 63.4504 31.36 63.4514 -124.934 74.9541 31.3608 74.9555 -155.508 GPRESSURE: 529400 -51.7134 -25.3734 44.6562 66.1381 -110.569 60.2402 3.69743 145.904 -133.871 PRESSAVG: 529400 -5.91354 5.30593 -1.98104 5.30604 -44.8912 26.1638 -1.98102 26.1639 67.4143 GPRESSAVG: 529400 -5.43309 3.99458 -4.66295 5.38301 -45.1199 27.1812 -3.84644 26.5523 67.3096 TIMING: 529400 CPU: 1537.31, 0.00288102/step Wall: 1537.31, 0.00288102/step, 3.57775 hours remaining, 204.449219 MB of memory in use. ENERGY: 529400 726.8323 2009.4968 1976.8431 119.8348 -206195.8502 17898.3047 0.0000 0.0000 34331.3510 -149133.1874 299.8242 -183464.5384 -149035.7535 299.4973 -134.6641 -98.7180 560648.4654 5.5365 5.5855 PRESSURE: 529600 -136.368 54.4466 176.076 54.4463 -86.6408 60.6785 176.077 60.6789 -67.8317 GPRESSURE: 529600 -83.7452 6.21073 91.8699 146.892 -24.6056 86.2191 124.789 13.9238 -104.659 PRESSAVG: 529600 1.3307 -16.2659 48.1762 -16.2659 -9.32052 -18.0425 48.1761 -18.0425 -6.19179 GPRESSAVG: 529600 2.02399 -16.3668 47.7341 -17.0036 -9.37313 -18.5105 50.3508 -18.2534 -7.16006 TIMING: 529600 CPU: 1537.88, 0.00289126/step Wall: 1537.88, 0.00289126/step, 3.5903 hours remaining, 204.449219 MB of memory in use. ENERGY: 529600 764.3555 2147.9537 1945.7640 126.8357 -206216.8998 17639.5094 0.0000 0.0000 34379.2060 -149213.2754 300.2422 -183592.4814 -149115.9854 299.8404 -96.9469 -71.0033 558364.0200 -4.7272 -4.8364 PRESSURE: 529800 -139.775 88.9139 -161.935 88.913 -46.2646 -243.422 -161.936 -243.422 -3.2798 GPRESSURE: 529800 -97.693 54.6016 -248.154 62.6961 -15.6632 -261.352 -72.4088 -221.075 34.6669 PRESSAVG: 529800 -53.2652 3.56321 -23.6726 3.56319 -41.0788 -6.96879 -23.6726 -6.96867 96.9667 GPRESSAVG: 529800 -53.124 3.70631 -22.0782 3.33704 -40.7927 -4.74314 -24.1313 -9.39924 97.0342 TIMING: 529800 CPU: 1538.46, 0.00289867/step Wall: 1538.46, 0.00289867/step, 3.59934 hours remaining, 204.449219 MB of memory in use. ENERGY: 529800 759.5039 2081.4994 1971.4006 124.9027 -206249.4431 17778.9379 0.0000 0.0000 34258.8736 -149274.3251 299.1913 -183533.1986 -149184.3946 299.0129 -63.1064 -26.2298 556439.1753 0.8742 1.0392 PRESSURE: 530000 52.56 -117.126 -63.5639 -117.126 205.798 42.3761 -63.5626 42.3759 148.105 GPRESSURE: 530000 91.9006 -108.909 -5.36467 -99.2227 263.203 39.2751 -86.4805 102.92 155.083 PRESSAVG: 530000 -26.0594 2.40955 -24.1706 2.40946 27.2416 19.4005 -24.1706 19.4006 10.0589 GPRESSAVG: 530000 -25.8101 3.60166 -25.0736 2.03362 26.73 17.5823 -24.5197 20.6804 9.82881 TIMING: 530000 CPU: 1539.04, 0.00289547/step Wall: 1539.04, 0.00289547/step, 3.59521 hours remaining, 204.449219 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: 530000 786.5640 2093.7935 1952.0500 107.2667 -206212.8977 18091.8231 0.0000 0.0000 34015.4858 -149165.9145 297.0657 -183181.4004 -149074.2578 299.3705 135.4877 170.0623 558115.1238 3.7470 3.5829 PRESSURE: 530200 110.965 -33.7079 -116.826 -33.7081 -12.6067 -20.6355 -116.827 -20.6366 140.889 GPRESSURE: 530200 104.191 40.9952 -109.36 14.4268 32.9293 -42.8732 -89.1392 -36.9611 199.835 PRESSAVG: 530200 26.4074 1.52397 -71.1196 1.52405 -2.88675 33.8257 -71.1195 33.8257 46.0439 GPRESSAVG: 530200 25.6109 3.2002 -71.2575 -0.614087 -1.71777 34.6673 -71.106 32.5507 44.9721 TIMING: 530200 CPU: 1539.62, 0.00289522/step Wall: 1539.62, 0.00289522/step, 3.59474 hours remaining, 204.449219 MB of memory in use. ENERGY: 530200 744.7035 2051.3851 1952.5904 122.6606 -206619.7803 18170.0070 0.0000 0.0000 34485.6214 -149092.8123 301.1715 -183578.4337 -148991.2399 299.6712 79.7489 112.3182 558548.9173 23.1882 22.9551 PRESSURE: 530400 -281.799 116.956 -24.3883 116.957 -161.635 -84.1178 -24.3873 -84.1199 109.683 GPRESSURE: 530400 -222.756 92.737 -39.7514 94.3052 -136.453 -55.6641 -69.5346 -59.4439 120.083 PRESSAVG: 530400 -14.9608 -51.6246 -74.1997 -51.6245 10.5498 28.3205 -74.1998 28.3204 22.877 GPRESSAVG: 530400 -15.682 -52.472 -75.0705 -50.5821 9.64709 28.2936 -75.54 28.8508 24.3288 TIMING: 530400 CPU: 1540.2, 0.00288894/step Wall: 1540.2, 0.00288894/step, 3.58678 hours remaining, 204.449219 MB of memory in use. ENERGY: 530400 738.7461 2086.6241 1989.4339 102.8992 -205837.9883 17601.6680 0.0000 0.0000 34302.1290 -149016.4880 299.5690 -183318.6171 -148920.6905 299.2070 -111.2505 -79.7087 557688.3703 6.1554 6.0979 PRESSURE: 530600 17.1415 1.99196 -4.64393 1.9926 -184.367 -57.0712 -4.64476 -57.0724 49.2866 GPRESSURE: 530600 74.2827 -64.6043 -4.22233 23.3493 -163.305 -55.4728 23.7744 -47.8612 63.7274 PRESSAVG: 530600 23.1854 16.6977 37.6693 16.6977 7.57253 -8.8527 37.6692 -8.85279 -19.0561 GPRESSAVG: 530600 24.4483 16.1273 38.3355 17.7439 7.91655 -9.38391 37.3455 -9.64442 -20.6463 TIMING: 530600 CPU: 1540.78, 0.00289168/step Wall: 1540.78, 0.00289168/step, 3.59002 hours remaining, 204.449219 MB of memory in use. ENERGY: 530600 749.3017 2085.7747 1976.7931 122.6679 -206026.3544 17725.2866 0.0000 0.0000 34200.4028 -149166.1275 298.6806 -183366.5303 -149066.4045 299.3042 -39.3130 -8.4316 557534.6182 3.9006 3.9062 PRESSURE: 530800 -232.543 34.4954 137.203 34.4964 117.768 94.9976 137.202 94.9979 87.1053 GPRESSURE: 530800 -224.122 59.1186 77.6599 2.98961 124.866 193.39 131.374 89.5337 166.209 PRESSAVG: 530800 -108.499 -45.2032 -7.81459 -45.2033 51.6638 -2.22851 -7.81459 -2.22852 17.8343 GPRESSAVG: 530800 -109.603 -44.4615 -6.41273 -45.1498 51.9684 -3.81823 -8.2239 0.243263 19.039 TIMING: 530800 CPU: 1541.35, 0.00288248/step Wall: 1541.35, 0.00288248/step, 3.57844 hours remaining, 204.449219 MB of memory in use. ENERGY: 530800 748.3315 2116.8787 1975.3051 122.8155 -206525.0188 17919.6983 0.0000 0.0000 34592.7537 -149049.2360 302.1071 -183641.9897 -148956.2396 300.0213 -9.2233 22.3180 557888.4226 -13.0001 -12.8652 PRESSURE: 531000 -8.28946 -56.087 129.103 -56.0864 -160.157 -92.9283 129.103 -92.9296 88.3862 GPRESSURE: 531000 19.1463 -57.9101 70.5571 -93.7498 -93.6657 -90.6833 213.687 -121.38 84.4188 PRESSAVG: 531000 -19.9337 -40.4203 42.7314 -40.4203 0.129612 -21.9339 42.7316 -21.9339 61.3543 GPRESSAVG: 531000 -19.3737 -40.0955 41.514 -42.8451 0.531953 -19.4769 45.5142 -22.5774 60.9366 TIMING: 531000 CPU: 1541.93, 0.00289776/step Wall: 1541.93, 0.00289776/step, 3.59725 hours remaining, 204.449219 MB of memory in use. ENERGY: 531000 715.3399 2154.1190 1975.3637 113.0149 -206402.0126 17861.1639 0.0000 0.0000 34477.1577 -149105.8534 301.0976 -183583.0111 -149010.2215 300.3063 -26.6866 3.2998 558986.5558 13.8501 14.0316 PRESSURE: 531200 123.314 1.79248 -5.89195 1.79377 8.46552 -27.5955 -5.89067 -27.5948 66.4841 GPRESSURE: 531200 202.542 -33.2693 -65.5479 5.86255 28.0099 -91.8248 54.5244 -34.647 68.0173 PRESSAVG: 531200 -13.8006 -19.2309 7.1492 -19.2308 28.7119 4.73744 7.14922 4.73751 -12.9055 GPRESSAVG: 531200 -14.7483 -20.3347 8.02453 -16.1895 28.9172 3.86713 7.16192 4.3448 -12.536 TIMING: 531200 CPU: 1542.51, 0.0029028/step Wall: 1542.51, 0.0029028/step, 3.60335 hours remaining, 204.449219 MB of memory in use. ENERGY: 531200 765.4213 2098.2501 1975.3808 124.7633 -206181.3148 17771.8337 0.0000 0.0000 34390.9539 -149054.7117 300.3448 -183445.6655 -148961.7015 300.0485 66.0880 99.5230 556766.3297 0.6686 0.5443 PRESSURE: 531400 -25.5644 -125.811 -17.4285 -125.811 -88.1122 -37.5186 -17.4268 -37.5164 -225.596 GPRESSURE: 531400 -32.3081 -95.837 -32.7203 -103.19 -50.8966 -70.7118 -46.0097 -52.223 -169.094 PRESSAVG: 531400 96.1006 10.0626 -4.02069 10.0626 -75.2846 -2.26872 -4.02072 -2.26868 -19.692 GPRESSAVG: 531400 96.2167 10.2724 -2.42858 7.9967 -75.5766 -1.38149 -4.46681 -3.82057 -18.9771 TIMING: 531400 CPU: 1543.1, 0.00292195/step Wall: 1543.1, 0.00292195/step, 3.62695 hours remaining, 204.449219 MB of memory in use. ENERGY: 531400 786.3779 2009.4647 1989.8655 128.4355 -206264.4264 17915.4989 0.0000 0.0000 34417.8070 -149016.9769 300.5793 -183434.7839 -148915.5365 299.9916 -113.0910 -84.0996 558657.9571 0.3747 0.5543 PRESSURE: 531600 -23.47 64.5713 -65.4992 64.5726 15.5079 -109.627 -65.4977 -109.627 -37.1137 GPRESSURE: 531600 -14.7991 84.8032 -36.4217 -12.0326 82.9424 -126.1 -51.0609 -77.5297 -17.6318 PRESSAVG: 531600 83.7652 -8.81013 -33.3701 -8.81004 -7.2206 51.7168 -33.3701 51.7168 -51.8428 GPRESSAVG: 531600 85.6251 -9.37425 -34.6067 -8.73945 -7.7611 50.77 -34.4771 52.1008 -52.9428 TIMING: 531600 CPU: 1543.68, 0.00291312/step Wall: 1543.68, 0.00291312/step, 3.61582 hours remaining, 204.449219 MB of memory in use. ENERGY: 531600 741.8674 2084.6981 1961.1881 120.6380 -206296.2862 17985.8826 0.0000 0.0000 34502.5384 -148899.4737 301.3192 -183402.0120 -148795.3213 299.4526 -15.0253 16.8371 558886.1832 8.2339 8.3071 PRESSURE: 531800 9.96495 -148.489 -78.4386 -148.489 -99.3655 -77.2561 -78.4382 -77.256 -115.591 GPRESSURE: 531800 13.5708 -88.1944 -132.855 -188.278 -102.06 -124.456 -66.959 -90.1248 -28.021 PRESSAVG: 531800 33.353 -9.04954 -40.256 -9.04948 1.04073 -7.36374 -40.256 -7.36385 -34.8522 GPRESSAVG: 531800 31.9314 -8.94155 -41.7529 -9.52493 2.19027 -7.35328 -39.4188 -8.02073 -35.2072 TIMING: 531800 CPU: 1544.26, 0.00291256/step Wall: 1544.26, 0.00291256/step, 3.61497 hours remaining, 204.449219 MB of memory in use. ENERGY: 531800 767.2819 2074.5780 1982.6511 118.8734 -205768.3792 17839.9757 0.0000 0.0000 34263.0779 -148721.9411 299.2280 -182985.0190 -148627.0441 299.8253 -68.3306 -38.8368 560570.6341 -0.1528 -0.3619 PRESSURE: 532000 146.175 -107.256 -191.192 -107.257 -20.446 9.74205 -191.192 9.74177 111.669 GPRESSURE: 532000 183.121 -178.899 -147.548 -124.859 28.9102 72.0383 -183.741 41.5342 122.712 PRESSAVG: 532000 24.9563 13.1574 -43.7428 13.1574 -29.2221 -16.9669 -43.7429 -16.9669 -5.63186 GPRESSAVG: 532000 26.2281 13.9999 -43.0743 12.5329 -29.1719 -16.2047 -45.0308 -16.965 -7.35975 TIMING: 532000 CPU: 1544.85, 0.00292988/step Wall: 1544.85, 0.00292988/step, 3.63631 hours remaining, 204.449219 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: 532000 770.3777 2133.8173 1960.0349 119.7489 -205989.5353 17861.6020 0.0000 0.0000 34307.7019 -148836.2525 299.6177 -183143.9544 -148741.9499 300.4487 79.1326 111.5811 558331.6231 -3.2992 -3.4345 PRESSURE: 532200 -7.73444 25.1527 -91.4061 25.1526 -39.0976 -10.7763 -91.4062 -10.7745 177.032 GPRESSURE: 532200 86.0429 35.4003 21.3312 63.9113 -45.4026 -22.8812 -158.919 -10.2492 182.893 PRESSAVG: 532200 -8.39341 3.09223 -32.3537 3.09212 -19.7668 16.4312 -32.3537 16.4311 28.8035 GPRESSAVG: 532200 -7.92193 2.5141 -30.2095 3.27191 -21.0623 15.955 -31.9565 16.2879 29.2081 TIMING: 532200 CPU: 1545.43, 0.00290866/step Wall: 1545.43, 0.00290866/step, 3.60981 hours remaining, 204.449219 MB of memory in use. ENERGY: 532200 746.4307 2140.5495 1965.0323 109.1166 -205952.7705 17845.2696 0.0000 0.0000 34267.0001 -148879.3718 299.2622 -183146.3719 -148788.2733 300.5789 43.4000 74.5110 559397.5353 0.2144 0.0746 LDB: ============= START OF LOAD BALANCING ============== 1548.9 LDB: ============== END OF LOAD BALANCING =============== 1548.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1548.9 LDB: ============= START OF LOAD BALANCING ============== 1549.19 LDB: Largest compute 4826 load 0.026441 is 22.5% of average load 0.117647 LDB: Average compute 0.001716 is 1.5% of average load 0.117647 LDB: TIME 1549.19 LOAD: AVG 0.117647 MAX 0.178523 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.613 MB LDB: TIME 1549.19 LOAD: AVG 0.117647 MAX 0.178523 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: TIME 1549.19 LOAD: AVG 0.117647 MAX 0.178523 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1549.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1549.2 PRESSURE: 532400 -314.395 -64.3557 -89.0231 -64.356 117.323 -42.5024 -89.0232 -42.4987 76.9895 GPRESSURE: 532400 -299.154 -26.217 -104.066 -20.714 164.181 -52.7045 -7.93565 -39.4583 103.188 PRESSAVG: 532400 -35.9335 8.77498 13.8868 8.77498 -2.70783 23.5704 13.8866 23.5704 6.20383 GPRESSAVG: 532400 -37.8049 9.31473 12.2369 9.59989 -2.88796 22.4519 15.7041 25.6107 8.67746 TIMING: 532400 CPU: 1546.03, 0.00296777/step Wall: 1546.03, 0.00296777/step, 3.68301 hours remaining, 205.078125 MB of memory in use. ENERGY: 532400 819.9442 2116.6446 1983.5169 105.5321 -206147.5497 17919.1377 0.0000 0.0000 34387.1824 -148815.5918 300.3118 -183202.7743 -148714.3488 300.5357 -40.0272 -10.5952 557733.8965 -10.8125 -10.6718 PRESSURE: 532600 -129.573 20.6736 -53.8236 20.6736 83.9419 136.238 -53.824 136.237 -42.4862 GPRESSURE: 532600 -51.6554 31.5912 -165.79 76.6377 85.468 184.953 -127.44 66.3523 -28.453 PRESSAVG: 532600 -12.1781 35.6762 -46.4822 35.6763 19.2058 22.7447 -46.4823 22.7447 43.8177 GPRESSAVG: 532600 -11.1891 33.4696 -47.5675 35.6689 20.0083 22.5259 -48.9856 23.6456 41.9488 TIMING: 532600 CPU: 1546.61, 0.00290144/step Wall: 1546.61, 0.00290144/step, 3.60052 hours remaining, 205.078125 MB of memory in use. ENERGY: 532600 777.0624 2126.8265 1975.3620 129.8436 -206013.8508 17811.0108 0.0000 0.0000 34654.0361 -148539.7094 302.6423 -183193.7455 -148442.3063 301.0091 -29.3725 1.7865 558523.5842 16.9484 16.9227 PRESSURE: 532800 276.395 18.9726 30.3788 18.9728 -98.3711 0.582153 30.3793 0.581155 152.297 GPRESSURE: 532800 292.002 -18.1393 12.5606 77.915 -50.203 -14.1653 -10.7615 -2.81405 187.64 PRESSAVG: 532800 53.9039 39.1957 15.554 39.1957 -55.8705 11.4038 15.554 11.4039 5.92929 GPRESSAVG: 532800 53.7878 41.2006 15.61 40.3043 -55.9112 11.6149 15.165 9.34768 6.6278 TIMING: 532800 CPU: 1547.18, 0.00288779/step Wall: 1547.18, 0.00288779/step, 3.58343 hours remaining, 205.078125 MB of memory in use. ENERGY: 532800 716.7573 2159.4977 1984.1060 109.6479 -205936.0355 17880.4014 0.0000 0.0000 34403.9619 -148681.6633 300.4584 -183085.6251 -148594.5543 301.2635 110.1070 143.1465 557563.2704 1.3209 1.5015 PRESSURE: 533000 88.0892 91.723 -52.5664 91.7231 33.4182 24.0898 -52.5649 24.0897 134.822 GPRESSURE: 533000 121.461 100.178 -65.2023 48.8287 51.1838 26.9676 -36.0243 47.1971 177.578 PRESSAVG: 533000 -3.53857 15.7574 29.0657 15.7574 -37.8175 42.9514 29.0657 42.9514 14.7609 GPRESSAVG: 533000 -3.72833 16.026 29.3896 13.9328 -37.6726 42.0586 30.2979 42.9247 14.4261 TIMING: 533000 CPU: 1547.76, 0.00290677/step Wall: 1547.76, 0.00290678/step, 3.60682 hours remaining, 205.078125 MB of memory in use. ENERGY: 533000 764.8175 2147.2113 1978.3032 103.4234 -206184.8671 18041.9940 0.0000 0.0000 34426.0598 -148723.0579 300.6513 -183149.1177 -148628.5750 301.0436 85.4431 116.7407 558055.6079 -8.8650 -8.9916 PRESSURE: 533200 12.1446 -24.8373 10.0306 -24.8368 -82.8226 -7.12755 10.0311 -7.12698 179.475 GPRESSURE: 533200 68.5616 -9.88723 -70.5633 -19.8899 -62.437 12.7429 -6.68248 -20.3309 198.872 PRESSAVG: 533200 42.2259 43.9277 10.447 43.9278 3.00651 49.9352 10.447 49.9352 -26.5603 GPRESSAVG: 533200 41.4284 44.8683 9.50689 43.3152 2.77203 50.517 10.6254 50.1045 -25.7461 TIMING: 533200 CPU: 1548.34, 0.0028844/step Wall: 1548.34, 0.0028844/step, 3.57889 hours remaining, 205.078125 MB of memory in use. ENERGY: 533200 765.6428 2087.0079 1970.0833 118.2810 -206103.6196 17878.9600 0.0000 0.0000 34441.1918 -148842.4529 300.7835 -183283.6446 -148756.4084 300.0706 36.2655 68.3321 556971.7519 6.2241 6.1514 PRESSURE: 533400 246.08 -148.692 -94.4978 -148.692 -96.1583 56.2202 -94.4981 56.2188 -185.149 GPRESSURE: 533400 268.876 -92.2678 -69.2321 -156.836 -47.707 7.23276 -56.7005 -22.9556 -152.617 PRESSAVG: 533400 50.4033 -34.8761 -2.14207 -34.8761 -71.7609 16.4893 -2.14212 16.4894 -38.9032 GPRESSAVG: 533400 51.0401 -37.7333 -1.87496 -33.1159 -70.6237 14.7998 -2.63886 19.234 -40.4458 TIMING: 533400 CPU: 1548.92, 0.00290185/step Wall: 1548.92, 0.00290185/step, 3.60039 hours remaining, 205.160156 MB of memory in use. ENERGY: 533400 756.0953 2081.4960 1952.9962 100.7362 -206103.4698 17935.0012 0.0000 0.0000 34264.0394 -149013.1056 299.2364 -183277.1450 -148916.1520 299.8942 -11.7427 22.8507 558798.3203 -20.0869 -20.0098 PRESSURE: 533600 -204.358 -180.994 156.412 -180.995 179.063 116.626 156.412 116.628 -30.1274 GPRESSURE: 533600 -141.757 -153.989 149.283 -183.429 188.337 84.607 151.357 121.858 -10.8504 PRESSAVG: 533600 5.83839 -65.651 -42.7746 -65.651 -24.3727 12.755 -42.7746 12.7549 4.5742 GPRESSAVG: 533600 4.61929 -63.6951 -39.9348 -65.5988 -25.897 14.4932 -45.1182 10.7901 7.16994 TIMING: 533600 CPU: 1549.51, 0.00292022/step Wall: 1549.51, 0.00292022/step, 3.62302 hours remaining, 205.160156 MB of memory in use. ENERGY: 533600 736.3975 2066.1744 1967.9288 107.1576 -205808.6494 17609.9247 0.0000 0.0000 34188.2875 -149132.7789 298.5748 -183321.0665 -149038.3814 298.7718 -18.4742 11.9098 557525.4485 -4.6534 -4.7026 PRESSURE: 533800 -238.563 53.2772 -255.447 53.2764 -107.404 18.8736 -255.447 18.872 -110.962 GPRESSURE: 533800 -205.637 38.8489 -200.804 29.3533 -51.2859 18.5676 -251.884 26.6134 -109.317 PRESSAVG: 533800 -5.57579 -15.3256 -54.9911 -15.3256 15.7794 12.8917 -54.9911 12.8916 -33.1205 GPRESSAVG: 533800 -5.49727 -16.8255 -54.9497 -17.3804 16.8963 9.48098 -53.7581 16.1232 -33.6233 TIMING: 533800 CPU: 1550.09, 0.00290574/step Wall: 1550.09, 0.00290574/step, 3.60489 hours remaining, 205.160156 MB of memory in use. ENERGY: 533800 770.6509 2120.8612 1949.9729 116.5146 -205843.1412 17508.9166 0.0000 0.0000 34166.3024 -149209.9225 298.3828 -183376.2249 -149107.3811 299.0214 -152.3097 -122.0800 556855.1578 -7.6390 -7.4081 PRESSURE: 534000 -31.4017 85.3861 -37.4135 85.3865 -2.80957 28.9541 -37.4139 28.9531 -167.074 GPRESSURE: 534000 -97.8102 82.4368 6.80684 99.9703 58.2286 50.7966 -75.5252 14.7496 -78.4623 PRESSAVG: 534000 21.0358 34.3092 -12.3335 34.3092 8.79377 28.8291 -12.3336 28.8291 4.27872 GPRESSAVG: 534000 20.2627 34.6513 -12.7711 36.0992 8.53505 31.6453 -12.1044 25.3836 5.18161 TIMING: 534000 CPU: 1550.67, 0.00290724/step Wall: 1550.67, 0.00290724/step, 3.60659 hours remaining, 205.160156 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: 534000 735.1298 2124.5669 2019.7689 118.8718 -206486.3551 17874.7408 0.0000 0.0000 34338.8068 -149274.4702 299.8893 -183613.2769 -149178.5742 299.2921 -67.0951 -39.3479 556220.2446 11.3694 11.3265 PRESSURE: 534200 -33.0941 13.9817 -74.6621 13.982 -76.2872 31.3532 -74.6612 31.3547 207.137 GPRESSURE: 534200 -27.9247 21.6573 -40.2392 19.8094 14.4604 140.184 -121.98 -60.4547 202.811 PRESSAVG: 534200 14.9265 32.7964 -50.9967 32.7964 -35.8263 45.9788 -50.9966 45.9789 -0.448738 GPRESSAVG: 534200 15.1415 32.7946 -52.0389 33.0327 -35.7753 46.6401 -50.2522 46.408 -0.786878 TIMING: 534200 CPU: 1551.25, 0.00289957/step Wall: 1551.25, 0.00289957/step, 3.59692 hours remaining, 205.160156 MB of memory in use. ENERGY: 534200 728.0441 2201.7405 1965.7782 106.6586 -206055.2548 17686.8488 0.0000 0.0000 34159.8301 -149206.3546 298.3263 -183366.1847 -149113.8787 298.7527 32.5852 63.1156 557198.3404 -7.1162 -7.1402 PRESSURE: 534400 -176.894 -93.8782 -51.4143 -93.8773 -47.1388 18.3738 -51.4146 18.3754 -31.0358 GPRESSURE: 534400 -143.502 -55.4024 15.9398 -98.469 -9.01514 -3.98527 -38.5922 66.9471 0.512392 PRESSAVG: 534400 -76.0211 15.6287 -33.1162 15.6287 93.8454 -1.71487 -33.1162 -1.71492 10.4013 GPRESSAVG: 534400 -75.6415 14.6605 -32.2764 14.9491 93.998 -2.25939 -33.9122 -1.23244 9.4514 TIMING: 534400 CPU: 1551.83, 0.00290709/step Wall: 1551.83, 0.00290709/step, 3.60609 hours remaining, 205.160156 MB of memory in use. ENERGY: 534400 709.9159 2128.8157 1973.7443 106.4567 -206077.6454 17606.9116 0.0000 0.0000 34357.2826 -149194.5185 300.0507 -183551.8011 -149087.0042 299.2575 -85.0230 -50.6681 557153.8736 9.4085 9.2693 PRESSURE: 534600 -506.148 -11.7014 107.724 -11.7015 -116.682 46.3922 107.726 46.3936 20.6827 GPRESSURE: 534600 -453.69 -74.3652 134.121 -19.9913 -84.3645 38.4887 46.0685 1.2933 30.8743 PRESSAVG: 534600 -105.698 24.2901 -10.4919 24.2901 58.2603 6.85035 -10.4919 6.85028 65.4017 GPRESSAVG: 534600 -105.455 24.2045 -10.1907 23.7625 56.9726 8.97205 -10.3611 6.90437 66.4411 TIMING: 534600 CPU: 1552.41, 0.00292317/step Wall: 1552.41, 0.00292317/step, 3.62586 hours remaining, 205.160156 MB of memory in use. ENERGY: 534600 772.2351 2109.4729 1973.7704 101.9788 -206038.7295 17637.0599 0.0000 0.0000 34278.9866 -149165.2258 299.3669 -183444.2124 -149075.1767 299.7249 -200.7157 -169.0600 559163.6141 5.9880 5.9862 PRESSURE: 534800 71.5155 -144.994 -81.724 -144.995 84.5684 -99.4521 -81.7235 -99.4522 -72.2669 GPRESSURE: 534800 127.441 -166.791 -21.2835 -154.577 89.1705 -119.382 -109.089 -55.6179 -34.9926 PRESSAVG: 534800 -53.8698 22.9717 -69.7904 22.9718 -56.0611 -11.3442 -69.7904 -11.3443 104.45 GPRESSAVG: 534800 -53.3801 22.5478 -70.4094 23.3851 -54.9619 -14.5926 -69.4136 -12.0068 103.443 TIMING: 534800 CPU: 1553, 0.00290343/step Wall: 1553, 0.00290342/step, 3.60121 hours remaining, 205.160156 MB of memory in use. ENERGY: 534800 767.5542 2140.0178 1985.1688 109.5764 -206233.0533 18016.3060 0.0000 0.0000 34092.4675 -149121.9625 297.7380 -183214.4301 -149031.4959 299.5481 27.9390 60.5396 559283.8600 -1.8269 -1.6328 PRESSURE: 535000 49.9766 -0.0906 -110.281 -0.0905756 -66.2899 -42.2056 -110.282 -42.2038 -26.7455 GPRESSURE: 535000 97.4659 -61.5638 -207.858 -23.2293 -121.136 -13.6545 -39.0967 -17.2698 73.1056 PRESSAVG: 535000 12.1016 -12.9824 0.668756 -12.9824 -70.8344 -23.5312 0.668688 -23.5311 78.8263 GPRESSAVG: 535000 12.8863 -11.3222 -1.01722 -13.3179 -71.8431 -22.4442 2.42481 -23.0404 79.5879 TIMING: 535000 CPU: 1553.58, 0.00293844/step Wall: 1553.58, 0.00293844/step, 3.64448 hours remaining, 205.160156 MB of memory in use. ENERGY: 535000 728.4344 2080.8972 2002.3471 104.4373 -206074.4803 17697.4233 0.0000 0.0000 34357.1449 -149103.7962 300.0495 -183460.9411 -149008.5098 299.5970 -14.3529 16.4785 558520.9227 6.6978 6.8770 PRESSURE: 535200 -195.852 37.7404 76.2774 37.7412 1.39214 183.713 76.2776 183.713 -160.484 GPRESSURE: 535200 -147.787 56.838 226.362 -23.654 29.4448 215.245 88.3797 186.109 -134.046 PRESSAVG: 535200 -37.6378 23.2863 -1.64257 23.2863 -60.888 19.6991 -1.64264 19.6991 46.2411 GPRESSAVG: 535200 -38.6453 22.9526 0.831783 22.8762 -59.195 19.539 -2.32542 21.1588 46.2606 TIMING: 535200 CPU: 1554.17, 0.00291806/step Wall: 1554.17, 0.00291806/step, 3.61904 hours remaining, 205.160156 MB of memory in use. ENERGY: 535200 790.9824 2193.5130 1958.8473 115.3521 -206214.3186 17787.9343 0.0000 0.0000 34200.9678 -149166.7216 298.6856 -183367.6894 -149065.4974 299.4665 -118.3148 -84.1294 559127.2201 -17.4283 -17.1932 PRESSURE: 535400 111.606 -74.2032 -98.6527 -74.2021 98.9791 -27.1932 -98.6525 -27.1933 123.653 GPRESSURE: 535400 85.5982 -33.349 -163.659 -16.9331 157.618 28.7344 -92.6395 -96.4343 189.88 PRESSAVG: 535400 -48.362 17.1181 13.9708 17.1181 -52.8216 16.6639 13.9709 16.664 71.1829 GPRESSAVG: 535400 -48.3614 16.6316 13.6032 17.5502 -53.489 15.9979 14.1304 15.504 72.2007 TIMING: 535400 CPU: 1554.75, 0.00291338/step Wall: 1554.75, 0.00291338/step, 3.61308 hours remaining, 205.160156 MB of memory in use. ENERGY: 535400 741.5267 2090.0651 1963.1539 115.2995 -206349.8734 17969.5345 0.0000 0.0000 34336.4912 -149133.8025 299.8691 -183470.2937 -149039.1248 299.1221 111.4127 144.3654 557609.5804 -10.0002 -9.8832 PRESSURE: 535600 124.383 2.90482 143.007 2.90407 261.56 115.771 143.006 115.772 -38.3982 GPRESSURE: 535600 151.057 -58.3787 7.57113 35.3975 275.754 163.595 182.834 143.506 16.3487 PRESSAVG: 535600 44.3289 -46.2062 -18.0367 -46.2062 -56.0076 7.26461 -18.0368 7.26463 33.7465 GPRESSAVG: 535600 44.7286 -46.2759 -19.6473 -46.5034 -55.6404 7.913 -17.3506 7.97425 33.25 TIMING: 535600 CPU: 1555.33, 0.00289976/step Wall: 1555.33, 0.00289976/step, 3.59602 hours remaining, 205.160156 MB of memory in use. ENERGY: 535600 732.5150 2054.1174 1975.7543 110.7298 -206704.1163 18285.9941 0.0000 0.0000 34376.0698 -149168.9359 300.2148 -183545.0057 -149073.5135 299.4217 115.8484 147.7199 558585.1275 7.3560 7.4461 PRESSURE: 535800 187.432 -92.8296 -84.7303 -92.8295 116.403 -132.527 -84.7301 -132.526 -37.8657 GPRESSURE: 535800 202.738 -83.2959 -31.5918 -89.8023 118.641 -107.298 -135.54 -131.662 34.3063 PRESSAVG: 535800 42.0144 -10.9784 18.6388 -10.9784 -79.6846 -34.1925 18.6387 -34.1925 79.7234 GPRESSAVG: 535800 42.4985 -11.1593 18.865 -9.69608 -80.1677 -34.9497 15.9939 -34.8914 79.5945 TIMING: 535800 CPU: 1555.91, 0.00288883/step Wall: 1555.91, 0.00288883/step, 3.58232 hours remaining, 205.363281 MB of memory in use. ENERGY: 535800 745.0700 2160.3069 1977.1093 108.8914 -206273.6101 18001.8920 0.0000 0.0000 34192.3826 -149087.9579 298.6106 -183280.3405 -148993.6474 298.9440 88.6564 118.5617 558340.8893 14.0178 13.9751 PRESSURE: 536000 -8.77087 -126.771 -11.659 -126.77 -236.217 -20.67 -11.658 -20.6695 261.34 GPRESSURE: 536000 17.5355 -152.011 -6.95499 -135.107 -218.103 33.4622 11.5226 -70.1024 311.209 PRESSAVG: 536000 42.2504 25.2063 -27.4087 25.2063 -48.6309 -51.7797 -27.4088 -51.7795 1.70255 GPRESSAVG: 536000 40.5299 25.8878 -27.1046 23.9485 -48.0285 -50.1519 -25.2732 -52.1765 2.7616 TIMING: 536000 CPU: 1556.49, 0.00289989/step Wall: 1556.49, 0.00289989/step, 3.59587 hours remaining, 205.363281 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: 536000 746.3083 2075.5298 1965.6614 125.9682 -206133.2456 17848.1820 0.0000 0.0000 34308.4564 -149063.1396 299.6243 -183371.5960 -148966.8761 299.8490 5.4504 36.8806 557983.7933 -1.5593 -1.5790 PRESSURE: 536200 -88.5594 37.5629 18.0665 37.564 -350.265 -32.0637 18.0646 -32.064 -146.512 GPRESSURE: 536200 -22.1758 5.3935 -16.1095 9.51891 -297.481 -7.77195 -0.258291 -13.0907 -171.162 PRESSAVG: 536200 -4.31021 25.4919 15.6004 25.4919 11.8547 -4.35635 15.6003 -4.35621 -34.271 GPRESSAVG: 536200 -3.10754 24.8081 17.5174 26.69 12.9005 -4.36501 16.841 -4.18811 -35.8041 TIMING: 536200 CPU: 1557.06, 0.00287424/step Wall: 1557.06, 0.00287424/step, 3.5639 hours remaining, 205.363281 MB of memory in use. ENERGY: 536200 726.9447 2028.4235 1989.9373 113.5195 -205734.4068 17424.2635 0.0000 0.0000 34311.4689 -149139.8495 299.6506 -183451.3184 -149037.2553 299.3366 -195.1121 -163.6063 558570.4144 -8.9088 -8.6704 LDB: ============= START OF LOAD BALANCING ============== 1560.53 LDB: ============== END OF LOAD BALANCING =============== 1560.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1560.53 LDB: ============= START OF LOAD BALANCING ============== 1560.82 LDB: Largest compute 4826 load 0.025489 is 21.7% of average load 0.117475 LDB: Average compute 0.001722 is 1.5% of average load 0.117475 LDB: TIME 1560.82 LOAD: AVG 0.117475 MAX 0.17615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 1560.82 LOAD: AVG 0.117475 MAX 0.17615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.883 MB LDB: TIME 1560.82 LOAD: AVG 0.117475 MAX 0.17615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1560.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1560.83 PRESSURE: 536400 -249.236 30.3656 -14.4804 30.3655 -179.749 -63.7248 -14.4786 -63.7254 -313.328 GPRESSURE: 536400 -265.24 -53.2347 -1.06488 -22.0874 -162.573 -50.8759 -30.8288 -70.3041 -230.98 PRESSAVG: 536400 82.3721 21.4144 -40.3332 21.4144 8.24733 -25.6719 -40.3332 -25.672 -83.6313 GPRESSAVG: 536400 82.4984 20.7689 -42.1875 20.8634 6.57858 -24.7443 -40.8338 -25.8962 -82.4894 TIMING: 536400 CPU: 1557.65, 0.00294554/step Wall: 1557.65, 0.00294554/step, 3.65214 hours remaining, 204.113281 MB of memory in use. ENERGY: 536400 762.5385 2038.3875 2000.4976 120.3415 -205457.7707 17398.4311 0.0000 0.0000 34168.9261 -148968.6483 298.4057 -183137.5745 -148869.1982 299.4181 -247.4376 -219.5976 558939.9366 2.3294 2.1958 PRESSURE: 536600 30.4084 225.673 48.5381 225.674 60.3077 160.045 48.5374 160.046 -202.034 GPRESSURE: 536600 31.3149 276.086 42.3234 271.912 134.339 150.704 31.5291 97.6839 -179.311 PRESSAVG: 536600 75.2776 63.866 9.36485 63.8659 14.6629 7.74588 9.36487 7.74585 -41.9497 GPRESSAVG: 536600 74.2473 63.646 9.06484 64.1105 15.9769 6.25427 9.25817 6.21773 -42.2569 TIMING: 536600 CPU: 1558.23, 0.00288384/step Wall: 1558.23, 0.00288384/step, 3.57547 hours remaining, 204.113281 MB of memory in use. ENERGY: 536600 766.1234 2094.9074 1948.8368 117.8400 -205664.4522 17733.5870 0.0000 0.0000 34015.2789 -148987.8787 297.0639 -183003.1576 -148891.3363 299.4239 -37.1058 -4.5524 558570.3809 15.9969 15.9891 PRESSURE: 536800 52.1035 -129.663 75.4266 -129.664 -39.7929 -58.3611 75.4259 -58.3613 -130.362 GPRESSURE: 536800 63.8254 -99.5112 -19.7055 -103.86 7.85644 -67.9776 145.481 -11.0636 -104.106 PRESSAVG: 536800 -0.596889 38.173 -6.89064 38.173 4.08417 38.2 -6.89067 38.2001 -5.28793 GPRESSAVG: 536800 -0.260322 40.4876 -5.55456 36.1373 3.81886 38.5991 -9.32781 40.012 -5.44559 TIMING: 536800 CPU: 1558.81, 0.00289356/step Wall: 1558.81, 0.00289356/step, 3.58737 hours remaining, 204.113281 MB of memory in use. ENERGY: 536800 758.1806 2145.9481 1954.9394 112.7122 -205903.4863 17719.3871 0.0000 0.0000 34367.3323 -148844.9865 300.1385 -183212.3188 -148749.7013 299.7376 -39.3506 -10.8080 559131.9249 -0.6002 -0.6290 PRESSURE: 537000 -235.143 151.417 34.98 151.416 -18.0265 -15.9785 34.9798 -15.9788 71.9348 GPRESSURE: 537000 -175.688 233.754 14.0254 77.2516 -3.52349 4.86715 51.5032 -66.5405 83.6764 PRESSAVG: 537000 18.1384 -18.304 -1.98246 -18.304 26.1875 47.1952 -1.9824 47.1952 -65.6039 GPRESSAVG: 537000 18.7559 -18.4045 -2.38124 -19.0666 25.7541 46.9938 0.563354 45.1103 -66.1098 TIMING: 537000 CPU: 1559.38, 0.00287691/step Wall: 1559.38, 0.00287691/step, 3.56657 hours remaining, 204.171875 MB of memory in use. ENERGY: 537000 740.8364 2091.0128 1962.6056 111.6253 -206180.9733 17847.4168 0.0000 0.0000 34419.9440 -149007.5324 300.5979 -183427.4764 -148919.2370 299.1201 -60.4115 -31.8449 559321.0825 -7.0927 -7.1999 PRESSURE: 537200 134.479 -140.577 63.8038 -140.577 -135.27 6.95108 63.8043 6.95214 -29.1555 GPRESSURE: 537200 176.464 -193.129 59.9142 -175.84 -116.91 -148.483 39.9837 43.987 14.2219 PRESSAVG: 537200 49.9132 33.5461 3.22948 33.5462 -39.1086 12.7633 3.22946 12.7634 55.751 GPRESSAVG: 537200 50.7157 33.4222 3.7998 34.757 -39.9593 13.0978 0.338007 14.7531 56.0567 TIMING: 537200 CPU: 1559.96, 0.00287879/step Wall: 1559.96, 0.00287879/step, 3.56873 hours remaining, 204.171875 MB of memory in use. ENERGY: 537200 733.3905 2089.0604 1964.1927 116.5522 -206207.1317 17936.1764 0.0000 0.0000 34406.0121 -148961.7473 300.4763 -183367.7594 -148864.7239 300.2059 -9.9821 24.5922 558723.5479 22.1852 22.2710 PRESSURE: 537400 96.6381 -37.6385 -134.022 -37.6378 25.6609 98.8279 -134.022 98.83 -43.1477 GPRESSURE: 537400 152.093 47.712 -184.083 -94.4622 15.801 40.7972 -83.7478 132.634 0.0188974 PRESSAVG: 537400 61.2037 -6.17842 -0.738792 -6.17846 -65.6704 -16.6505 -0.738757 -16.6506 -2.17664 GPRESSAVG: 537400 60.3017 -7.83622 0.280976 -4.59592 -64.979 -18.4735 -0.913954 -16.4947 -2.12658 TIMING: 537400 CPU: 1560.53, 0.00288421/step Wall: 1560.53, 0.00288421/step, 3.5753 hours remaining, 204.171875 MB of memory in use. ENERGY: 537400 710.4792 2040.8115 1998.7104 106.2615 -206062.9828 17862.8385 0.0000 0.0000 34280.0965 -149063.7851 299.3766 -183343.8817 -148964.6544 299.7357 26.3838 55.9711 557592.3593 -2.2144 -2.2680 PRESSURE: 537600 91.4874 68.498 -21.006 68.4958 -324.561 -28.4458 -21.0066 -28.4431 32.3589 GPRESSURE: 537600 63.4822 56.9002 43.9212 71.5977 -279.047 -9.95604 -123.699 -3.28528 107.529 PRESSAVG: 537600 1.18183 -6.65237 -7.47693 -6.65243 -17.6404 14.5986 -7.4769 14.5987 13.4163 GPRESSAVG: 537600 1.84002 -5.84653 -7.34597 -6.49381 -18.4905 15.9395 -4.55953 13.2794 13.017 TIMING: 537600 CPU: 1561.11, 0.00288855/step Wall: 1561.11, 0.00288855/step, 3.58052 hours remaining, 204.265625 MB of memory in use. ENERGY: 537600 754.5350 2063.9992 1951.8823 117.8757 -206089.5890 17837.6928 0.0000 0.0000 34154.6999 -149208.9042 298.2815 -183363.6041 -149109.3073 299.2844 -66.9049 -36.0120 559316.4066 -1.0141 -1.2112 PRESSURE: 537800 -9.33859 10.0433 22.199 10.0433 -186.256 175.141 22.199 175.142 -254.526 GPRESSURE: 537800 -13.4533 73.0002 93.4066 15.3413 -158.367 110.323 -43.1326 255.726 -182.216 PRESSAVG: 537800 -8.82523 15.1426 -0.501842 15.1425 -30.9559 -64.8132 -0.501794 -64.8132 1.63704 GPRESSAVG: 537800 -10.1898 15.889 -1.74929 14.4177 -29.1716 -65.9218 -1.17046 -62.9931 1.76713 TIMING: 537800 CPU: 1561.69, 0.00289153/step Wall: 1561.69, 0.00289153/step, 3.58406 hours remaining, 204.265625 MB of memory in use. ENERGY: 537800 734.9570 2056.1582 1986.4899 114.0327 -205802.5263 17597.7038 0.0000 0.0000 34292.6219 -149020.5628 299.4860 -183313.1847 -148918.9894 298.6628 -150.0403 -118.0121 559624.7116 -12.7147 -12.5314 PRESSURE: 538000 359.867 127.05 -81.6891 127.05 117.133 27.3526 -81.6879 27.3529 15.2883 GPRESSURE: 538000 319.847 131.57 -61.8235 124.294 111.091 44.5046 -30.4065 -19.2412 130.641 PRESSAVG: 538000 47.7807 -12.8003 15.8123 -12.8002 -12.1654 47.2275 15.8124 47.2275 7.48704 GPRESSAVG: 538000 49.7528 -14.2768 15.8815 -13.1169 -13.8693 47.7551 16.1214 48.2989 7.45815 TIMING: 538000 CPU: 1562.27, 0.00288482/step Wall: 1562.27, 0.00288482/step, 3.57557 hours remaining, 204.265625 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: 538000 713.4944 2083.2091 1975.9291 108.3706 -205948.9084 17785.9424 0.0000 0.0000 34389.8584 -148892.1045 300.3352 -183281.9629 -148796.1212 299.8711 164.0962 187.1930 556486.6232 14.3674 14.4472 PRESSURE: 538200 16.8415 -12.0083 -55.2669 -12.0082 67.3667 -28.0114 -55.2672 -28.0122 63.4578 GPRESSURE: 538200 13.6385 22.4014 -45.4723 6.8873 132.005 -40.1814 -102.106 -85.7244 95.0092 PRESSAVG: 538200 -6.54733 7.52919 -57.3098 7.52924 -39.0727 32.874 -57.3099 32.8741 3.5575 GPRESSAVG: 538200 -7.05554 10.2436 -58.2162 7.54698 -38.436 33.5227 -58.4519 31.6631 3.35233 TIMING: 538200 CPU: 1562.84, 0.00288018/step Wall: 1562.84, 0.00288018/step, 3.56966 hours remaining, 204.265625 MB of memory in use. ENERGY: 538200 725.7033 2142.0036 1949.4907 111.6276 -206355.4854 17912.1875 0.0000 0.0000 34447.1648 -149067.3079 300.8357 -183514.4727 -148973.5610 300.2901 49.2220 80.2176 555936.0589 -14.0208 -14.0464 PRESSURE: 538400 -154.919 -50.1682 0.242608 -50.1682 -236.578 125.88 0.2422 125.88 128.682 GPRESSURE: 538400 -125.547 53.265 -15.0477 -179.682 -163.949 46.1693 -57.7556 180.996 127.73 PRESSAVG: 538400 -25.085 -17.5522 -13.278 -17.5524 -47.1269 -18.0291 -13.278 -18.0292 53.2862 GPRESSAVG: 538400 -25.9868 -17.2577 -11.1239 -19.4203 -46.0755 -17.764 -14.0493 -17.3012 53.3611 TIMING: 538400 CPU: 1563.42, 0.00288804/step Wall: 1563.42, 0.00288804/step, 3.57925 hours remaining, 204.265625 MB of memory in use. ENERGY: 538400 746.6151 2056.2514 1961.0210 108.0043 -205638.7911 17545.1699 0.0000 0.0000 34274.0525 -148947.6767 299.3238 -183221.7293 -148849.5287 300.0041 -87.6052 -53.9219 556752.8692 -6.3086 -6.2337 PRESSURE: 538600 153.149 96.1841 -123.748 96.1828 -84.4509 -100.9 -123.746 -100.9 88.9119 GPRESSURE: 538600 133.982 172.693 -16.5299 100.067 -6.78893 -105.539 -248.61 -124.681 142.271 PRESSAVG: 538600 63.786 -1.77209 5.65545 -1.77204 -10.1885 25.3214 5.65552 25.3214 -47.6448 GPRESSAVG: 538600 64.5963 -3.42555 3.76884 1.8239 -8.87848 24.8614 6.76405 23.7986 -49.2276 TIMING: 538600 CPU: 1564, 0.00289142/step Wall: 1564, 0.00289141/step, 3.58327 hours remaining, 204.265625 MB of memory in use. ENERGY: 538600 736.4058 2072.0098 1983.5607 111.6954 -206140.2565 17919.6532 0.0000 0.0000 34233.3647 -149083.5669 298.9685 -183316.9316 -148984.2116 299.6068 52.5368 89.8214 557638.6446 1.9843 2.1634 PRESSURE: 538800 417.603 0.831463 53.0248 0.831125 94.4566 44.9799 53.0251 44.9796 -23.0058 GPRESSURE: 538800 386.96 -40.4503 69.3827 15.2945 139.134 4.73018 43.569 93.5112 50.8201 PRESSAVG: 538800 31.8205 5.55437 -61.7326 5.55436 -8.85187 15.6521 -61.7326 15.6522 24.5807 GPRESSAVG: 538800 32.6075 5.49631 -60.9265 3.46416 -11.3603 14.0667 -61.0694 17.0466 25.7311 TIMING: 538800 CPU: 1564.58, 0.00289035/step Wall: 1564.58, 0.00289035/step, 3.58179 hours remaining, 204.265625 MB of memory in use. ENERGY: 538800 707.8031 2060.2735 1968.8052 111.8986 -206337.2251 17964.0724 0.0000 0.0000 34377.4847 -149146.8876 300.2271 -183524.3722 -149055.7521 298.8096 163.0178 192.3047 557058.8382 15.8498 15.6594 PRESSURE: 539000 224.2 -39.1808 -41.2473 -39.1797 357.816 16.6445 -41.2467 16.6455 193.827 GPRESSURE: 539000 306.971 -16.4923 0.599209 1.41268 353.953 -18.5722 -19.7291 28.6165 208.172 PRESSAVG: 539000 17.3474 13.0831 -27.9627 13.083 19.6154 44.8171 -27.9627 44.817 -13.1314 GPRESSAVG: 539000 17.1868 12.942 -27.3438 11.6638 18.4796 45.7905 -28.8269 43.6252 -11.5734 TIMING: 539000 CPU: 1565.15, 0.0028712/step Wall: 1565.15, 0.0028712/step, 3.55789 hours remaining, 204.265625 MB of memory in use. ENERGY: 539000 708.4123 2084.2473 1978.2983 118.8616 -206483.8545 18221.6464 0.0000 0.0000 34143.8306 -149228.5580 298.1866 -183372.3887 -149127.8566 298.5331 258.6141 289.6987 558184.7209 7.9438 8.0310 PRESSURE: 539200 -71.8233 -49.1868 26.7372 -49.1867 -228.373 30.1003 26.738 30.0996 -83.0553 GPRESSURE: 539200 -81.1535 11.1396 51.2719 -65.8153 -198.816 -9.80155 31.2764 -47.2257 -0.715938 PRESSAVG: 539200 -16.7745 -11.0593 -70.8875 -11.0592 32.5389 58.0286 -70.8874 58.0287 6.73931 GPRESSAVG: 539200 -16.6482 -10.0499 -74.3027 -8.34567 34.0776 60.7167 -69.4051 57.5102 5.76876 TIMING: 539200 CPU: 1565.73, 0.00287593/step Wall: 1565.73, 0.00287593/step, 3.5636 hours remaining, 204.265625 MB of memory in use. ENERGY: 539200 784.3929 2068.4399 1927.5162 116.5359 -206080.2093 17934.9813 0.0000 0.0000 34093.9624 -149154.3807 297.7511 -183248.3431 -149065.1360 298.9146 -127.7506 -93.5619 559146.6015 7.5013 7.7327 PRESSURE: 539400 -255.509 176.67 10.2351 176.67 -211.054 -161.781 10.2352 -161.781 23.0443 GPRESSURE: 539400 -230.312 72.1219 -3.03162 204.55 -199.793 -182.78 1.91546 -148.225 86.97 PRESSAVG: 539400 21.6822 3.5252 -29.0508 3.52521 15.0147 -24.4751 -29.0508 -24.4752 25.6095 GPRESSAVG: 539400 21.4638 2.57965 -26.6414 4.62657 14.6059 -26.0066 -31.242 -26.397 26.4121 TIMING: 539400 CPU: 1566.3, 0.00287143/step Wall: 1566.3, 0.00287143/step, 3.55786 hours remaining, 204.265625 MB of memory in use. ENERGY: 539400 775.2963 2089.8337 1982.2818 119.3452 -206209.2647 17713.2780 0.0000 0.0000 34278.3631 -149250.8666 299.3615 -183529.2297 -149154.4128 299.5668 -147.8395 -114.3785 557134.7705 20.7688 20.8273 PRESSURE: 539600 -304.77 252.392 -89.9423 252.391 -115.394 143.92 -89.9427 143.92 -56.6925 GPRESSURE: 539600 -277.867 282.129 -3.17345 258.751 -32.4688 35.6685 -184.755 186.43 -60.8719 PRESSAVG: 539600 -21.8544 10.7979 60.5561 10.798 30.2926 13.1357 60.556 13.1358 -17.8628 GPRESSAVG: 539600 -21.662 10.7195 59.621 10.637 31.9189 10.3988 60.1642 18.4286 -19.7339 TIMING: 539600 CPU: 1566.88, 0.0028912/step Wall: 1566.88, 0.0028912/step, 3.5822 hours remaining, 204.265625 MB of memory in use. ENERGY: 539600 740.0802 2059.3301 1970.3057 112.5961 -205755.8003 17460.3471 0.0000 0.0000 34248.8475 -149164.2936 299.1037 -183413.1411 -149059.2407 298.7399 -158.9520 -123.7358 557734.6527 -3.1416 -3.1590 PRESSURE: 539800 64.6308 -153.219 42.0659 -153.219 -158.317 133.958 42.0661 133.959 55.5061 GPRESSURE: 539800 108.066 -175.79 93.1429 -90.2904 -152.94 121.591 15.9738 104.648 89.5379 PRESSAVG: 539800 -30.4432 15.935 6.18398 15.935 18.273 14.2345 6.18402 14.2345 -32.1005 GPRESSAVG: 539800 -29.434 16.6426 7.158 14.0369 16.3654 16.4737 7.58893 11.0232 -31.6091 TIMING: 539800 CPU: 1567.46, 0.0028868/step Wall: 1567.46, 0.0028868/step, 3.57659 hours remaining, 204.265625 MB of memory in use. ENERGY: 539800 769.4247 2077.2516 1984.8288 114.1974 -206599.0531 17914.5829 0.0000 0.0000 34313.2714 -149425.4963 299.6663 -183738.7677 -149333.0216 298.8672 -12.7268 14.8880 557531.6636 -14.7569 -14.8926 PRESSURE: 540000 61.2227 4.30393 -17.9578 4.30446 -88.6341 -93.2713 -17.9574 -93.2717 5.25074 GPRESSURE: 540000 95.3382 -47.9591 -24.0963 119.807 -101.22 -92.3327 -10.7219 -52.6008 70.0063 PRESSAVG: 540000 -23.7646 -32.4102 -24.3164 -32.4102 8.70356 51.1367 -24.3164 51.1367 -1.26131 GPRESSAVG: 540000 -25.2386 -30.637 -24.8721 -32.1302 8.33164 50.3641 -24.2621 52.5436 0.261135 TIMING: 540000 CPU: 1568.04, 0.00291667/step Wall: 1568.04, 0.00291666/step, 3.61342 hours remaining, 204.265625 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: 540000 716.7778 2089.9582 1963.5590 117.4982 -205769.6248 17540.3632 0.0000 0.0000 33960.6085 -149380.8600 296.5864 -183341.4684 -149289.1926 298.5265 -7.3869 21.3750 557986.7478 -5.4408 -5.5486 PRESSURE: 540200 -215.442 -186.106 91.9785 -186.105 166.757 -23.8305 91.9799 -23.8314 212.387 GPRESSURE: 540200 -125.312 -132.109 32.4583 -209.074 182.921 36.8696 117.518 -32.9924 194.795 PRESSAVG: 540200 -52.8242 -10.8799 -8.42161 -10.8799 53.7509 3.76857 -8.42155 3.7686 -25.4337 GPRESSAVG: 540200 -53.4232 -11.3776 -8.05005 -12.5177 53.9964 6.28369 -8.30029 3.33226 -25.7256 TIMING: 540200 CPU: 1568.62, 0.00291588/step Wall: 1568.62, 0.00291588/step, 3.61229 hours remaining, 204.265625 MB of memory in use. ENERGY: 540200 756.5592 2066.2448 1974.3661 111.8790 -206562.6244 17934.3315 0.0000 0.0000 34291.8315 -149427.4123 299.4791 -183719.2438 -149335.2095 298.2225 54.5672 84.1345 556083.1844 -8.1690 -8.3842 LDB: ============= START OF LOAD BALANCING ============== 1572.09 LDB: ============== END OF LOAD BALANCING =============== 1572.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1572.09 LDB: ============= START OF LOAD BALANCING ============== 1572.39 LDB: Largest compute 4827 load 0.027147 is 23.1% of average load 0.117560 LDB: Average compute 0.001731 is 1.5% of average load 0.117560 LDB: TIME 1572.39 LOAD: AVG 0.11756 MAX 0.180572 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.938 MB LDB: TIME 1572.39 LOAD: AVG 0.11756 MAX 0.180572 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.938 MB LDB: TIME 1572.39 LOAD: AVG 0.11756 MAX 0.180572 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.938 MB LDB: ============== END OF LOAD BALANCING =============== 1572.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1572.4 PRESSURE: 540400 135.108 123.153 84.9425 123.154 -190.886 71.7524 84.9438 71.7515 5.21817 GPRESSURE: 540400 130.804 212.514 -3.51432 103.14 -137.633 47.7092 51.3922 103.567 55.5197 PRESSAVG: 540400 8.00276 -55.4995 46.0797 -55.4996 3.84063 56.9887 46.0798 56.9887 -36.462 GPRESSAVG: 540400 8.65743 -57.2844 44.7009 -53.1474 4.41454 55.7963 47.1444 55.655 -37.6923 TIMING: 540400 CPU: 1569.22, 0.00298971/step Wall: 1569.22, 0.00298971/step, 3.70359 hours remaining, 204.449219 MB of memory in use. ENERGY: 540400 708.6800 2028.1807 1955.9790 103.0307 -206410.9052 17907.0582 0.0000 0.0000 34042.8265 -149665.1502 297.3045 -183707.9766 -149569.8664 297.9610 -16.8534 16.2302 558025.4313 -8.2062 -8.2068 PRESSURE: 540600 -106.149 15.6558 42.6669 15.6549 36.4137 -93.2982 42.6683 -93.297 -4.65787 GPRESSURE: 540600 -87.9681 -52.6683 37.8157 6.24477 100.61 -129.579 -37.642 -64.9946 15.0635 PRESSAVG: 540600 -13.9801 36.3432 21.6238 36.3432 10.8998 -29.557 21.6238 -29.5569 -8.83876 GPRESSAVG: 540600 -14.5969 35.9863 22.7351 35.1092 11.549 -30.2392 20.4203 -27.5632 -8.97853 TIMING: 540600 CPU: 1569.8, 0.00290935/step Wall: 1569.8, 0.00290935/step, 3.60388 hours remaining, 204.652344 MB of memory in use. ENERGY: 540600 718.2647 2102.1728 1943.4762 104.3864 -206503.3738 17921.6634 0.0000 0.0000 34103.2740 -149610.1363 297.8324 -183713.4103 -149501.7344 297.1497 -24.7976 9.2350 558393.1447 -3.9730 -4.0088 PRESSURE: 540800 16.5325 -56.2204 -182.416 -56.2208 134.441 -30.3519 -182.417 -30.3524 166.094 GPRESSURE: 540800 -2.54811 -15.4651 -169.728 -10.3749 154.397 43.859 -43.2316 -99.8443 261.38 PRESSAVG: 540800 60.8458 11.6382 -46.2909 11.6382 -47.2575 -23.8129 -46.2909 -23.8129 -3.0142 GPRESSAVG: 540800 60.2228 13.5006 -44.3222 11.662 -47.2506 -23.7926 -48.0061 -25.2823 -3.019 TIMING: 540800 CPU: 1570.38, 0.00290877/step Wall: 1570.38, 0.00290877/step, 3.603 hours remaining, 204.652344 MB of memory in use. ENERGY: 540800 720.8236 2035.6477 1954.3809 124.3891 -206517.1687 18117.6858 0.0000 0.0000 33928.5949 -149635.6468 296.3069 -183564.2417 -149540.7228 297.7309 105.6893 137.7429 558159.6582 3.5247 3.3177 PRESSURE: 541000 212.856 0.205555 -74.7609 0.205772 -88.22 62.692 -74.7616 62.6925 257.222 GPRESSURE: 541000 231.975 -84.6223 -28.0624 -28.6078 -38.6455 8.45067 -115.96 49.1881 292.472 PRESSAVG: 541000 48.4676 -29.3182 -27.679 -29.3181 -6.43732 -34.8671 -27.679 -34.867 4.17433 GPRESSAVG: 541000 49.5333 -29.2792 -28.2308 -30.1038 -6.98851 -34.5885 -26.0327 -33.0536 4.22443 TIMING: 541000 CPU: 1570.97, 0.00291976/step Wall: 1570.97, 0.00291976/step, 3.61644 hours remaining, 204.652344 MB of memory in use. ENERGY: 541000 711.0873 2091.6668 1963.8719 120.5766 -206693.3110 18181.3511 0.0000 0.0000 34169.3066 -149455.4508 298.4091 -183624.7574 -149356.8667 297.4469 127.2858 161.9339 557331.2375 15.4015 15.5897 PRESSURE: 541200 124.937 -127.261 39.7368 -127.261 7.70977 -168.92 39.7378 -168.917 90.996 GPRESSURE: 541200 166.537 -102.025 155.787 -121.993 19.9254 -173.203 -20.4408 -115.835 143.653 PRESSAVG: 541200 36.8408 12.1759 0.816671 12.1759 41.2071 -48.6346 0.816721 -48.6347 -68.939 GPRESSAVG: 541200 36.0616 10.1172 0.16956 11.5047 42.2959 -49.1501 0.906565 -51.0881 -69.2797 TIMING: 541200 CPU: 1571.56, 0.00293833/step Wall: 1571.56, 0.00293833/step, 3.63929 hours remaining, 204.855469 MB of memory in use. ENERGY: 541200 721.7016 2180.7459 1956.0503 107.4039 -206710.5994 18037.0394 0.0000 0.0000 34315.5987 -149392.0596 299.6867 -183707.6583 -149288.6020 297.9778 74.5476 110.0386 557930.0376 3.0363 3.0259 PRESSURE: 541400 -219.675 7.62992 -35.525 7.63001 -114.444 -189.944 -35.5254 -189.944 320.273 GPRESSURE: 541400 -181.188 40.5584 -50.7048 -22.1703 -34.354 -162.305 -15.3824 -133.172 292.377 PRESSAVG: 541400 3.27284 -59.3454 -3.80361 -59.3453 17.0402 26.4011 -3.80364 26.4012 27.4412 GPRESSAVG: 541400 5.93271 -58.7363 -4.77635 -58.0335 16.131 25.2997 -4.41481 26.9639 26.3598 TIMING: 541400 CPU: 1572.14, 0.00293126/step Wall: 1572.14, 0.00293126/step, 3.63036 hours remaining, 204.855469 MB of memory in use. ENERGY: 541400 744.6015 2160.5316 1921.1995 103.7088 -206351.3509 17886.2607 0.0000 0.0000 34343.3736 -149191.6751 299.9292 -183535.0487 -149096.9224 299.1094 -4.6154 25.6118 557745.4125 15.9181 16.1412 PRESSURE: 541600 -19.9989 -158.206 -55.285 -158.208 89.7843 161.933 -55.2848 161.934 -239.504 GPRESSURE: 541600 -7.99599 -84.6546 -25.3338 -210.865 124.992 75.3363 -63.5682 273.653 -188.551 PRESSAVG: 541600 27.4351 -20.0127 -54.546 -20.0126 -80.0539 7.3527 -54.5461 7.35273 47.8269 GPRESSAVG: 541600 25.3315 -19.5418 -53.5168 -19.6885 -79.9491 7.68832 -55.1964 8.11364 49.6381 TIMING: 541600 CPU: 1572.72, 0.00290916/step Wall: 1572.72, 0.00290916/step, 3.60283 hours remaining, 204.855469 MB of memory in use. ENERGY: 541600 736.8389 2082.5110 1968.0323 107.4365 -206103.1508 17728.2871 0.0000 0.0000 34488.9605 -148991.0845 301.2007 -183480.0450 -148896.1640 299.6266 -56.5729 -23.8517 558600.1327 -1.5973 -1.6598 PRESSURE: 541800 -177.866 -13.6017 -118.5 -13.602 -240.212 -135.494 -118.5 -135.494 -308.596 GPRESSURE: 541800 -167.951 -108.471 -66.384 95.1576 -222.079 -188.839 -105.531 -112.433 -252.76 PRESSAVG: 541800 22.9084 -12.4589 0.234997 -12.4589 -34.9354 -21.1284 0.235 -21.1284 -19.474 GPRESSAVG: 541800 23.5697 -12.1608 0.317535 -12.4241 -35.1237 -19.7612 0.717619 -23.647 -19.5733 TIMING: 541800 CPU: 1573.31, 0.00292711/step Wall: 1573.31, 0.00292711/step, 3.6249 hours remaining, 204.855469 MB of memory in use. ENERGY: 541800 725.3290 2130.1472 1960.3727 115.3387 -205647.6524 17375.8407 0.0000 0.0000 34320.7873 -149019.8368 299.7320 -183340.6240 -148921.4348 299.8057 -242.2248 -214.2629 558051.7920 -10.5003 -10.3758 PRESSURE: 542000 -22.1017 -30.8557 65.3652 -30.8551 -83.7218 6.74674 65.3661 6.74775 1.30664 GPRESSURE: 542000 -52.7021 15.9725 -22.8257 -79.7771 6.05201 45.7572 87.6736 -75.1372 32.424 PRESSAVG: 542000 40.1921 -65.7536 6.12346 -65.7537 -33.0288 -5.68192 6.12345 -5.68189 46.8548 GPRESSAVG: 542000 39.9876 -64.2029 5.65734 -65.9623 -32.6504 -6.90893 5.88869 -3.33901 46.9431 TIMING: 542000 CPU: 1573.89, 0.0029049/step Wall: 1573.89, 0.0029049/step, 3.59724 hours remaining, 204.855469 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: 542000 759.8055 2115.4485 1974.8099 101.8334 -206208.1565 17831.1587 0.0000 0.0000 34267.6460 -149157.4545 299.2679 -183425.1005 -149059.8015 300.0103 -34.8389 -4.7421 557137.7140 18.0060 18.0934 PRESSURE: 542200 112.971 223.567 -91.4633 223.567 44.1394 -24.7615 -91.4624 -24.7608 40.6113 GPRESSURE: 542200 144.552 146.576 -125.215 169.911 77.2685 -44.8862 -89.4698 82.4463 54.835 PRESSAVG: 542200 -8.88217 -16.2199 -3.24685 -16.2198 -41.9495 -7.92891 -3.24689 -7.92884 48.442 GPRESSAVG: 542200 -9.77315 -16.1069 -3.56649 -16.2734 -41.6737 -4.06759 -3.77095 -10.4384 49.1715 TIMING: 542200 CPU: 1574.47, 0.0029136/step Wall: 1574.47, 0.0029136/step, 3.60785 hours remaining, 204.855469 MB of memory in use. ENERGY: 542200 724.7108 2075.3676 1966.8049 124.3131 -206476.1501 17982.9800 0.0000 0.0000 34248.9409 -149353.0328 299.1045 -183601.9737 -149242.3434 299.2195 65.9073 92.2185 556434.0019 -0.7966 -0.7585 PRESSURE: 542400 -9.87257 29.1733 -10.9624 29.1747 82.67 151.189 -10.962 151.189 180.248 GPRESSURE: 542400 9.99968 77.0922 -9.22583 44.8856 138.919 95.8701 -16.5363 96.6321 202.08 PRESSAVG: 542400 9.31819 3.96867 -12.2955 3.96867 2.74099 22.7336 -12.2954 22.7336 34.3806 GPRESSAVG: 542400 10.1033 5.13197 -12.9396 2.99872 2.48539 19.842 -10.6875 24.7795 33.8258 TIMING: 542400 CPU: 1575.06, 0.00292022/step Wall: 1575.06, 0.00292022/step, 3.61588 hours remaining, 204.925781 MB of memory in use. ENERGY: 542400 727.1685 2137.9698 1963.3222 117.0578 -206459.2597 17902.6534 0.0000 0.0000 34227.3974 -149383.6905 298.9164 -183611.0879 -149286.9706 298.4660 84.3486 116.9996 556973.4450 15.4799 15.4715 PRESSURE: 542600 159.154 -254.89 -139.667 -254.891 195.656 -21.2641 -139.668 -21.2648 315.726 GPRESSURE: 542600 209.414 -239.475 -173.553 -233.435 244.104 -43.16 -70.6862 -18.9012 311.57 PRESSAVG: 542600 4.81191 15.1514 -16.0511 15.1514 -15.4265 -5.96351 -16.0512 -5.96341 16.1755 GPRESSAVG: 542600 4.07418 14.0399 -18.2973 17.7621 -15.1177 -5.8378 -15.6636 -5.15922 16.2099 TIMING: 542600 CPU: 1575.64, 0.00292663/step Wall: 1575.64, 0.00292663/step, 3.62366 hours remaining, 204.925781 MB of memory in use. ENERGY: 542600 765.8311 2097.5954 1995.4954 112.1209 -206915.7814 18374.6439 0.0000 0.0000 34033.1871 -149536.9075 297.2203 -183570.0946 -149450.0301 298.9430 223.5119 255.0294 557066.4967 1.8536 1.7221 PRESSURE: 542800 -155.714 -89.5177 -40.8945 -89.5177 -249.67 25.982 -40.8953 25.9813 -380.44 GPRESSURE: 542800 -150.827 -65.4443 27.5416 -176.221 -248.02 -15.3156 5.5898 43.3892 -285.944 PRESSAVG: 542800 27.2569 -0.0845584 -18.324 -0.0845729 12.0103 9.03126 -18.3241 9.03129 0.662092 GPRESSAVG: 542800 27.5507 -0.156775 -18.6531 -0.654631 11.4109 9.10525 -18.5804 7.97507 1.15879 TIMING: 542800 CPU: 1576.23, 0.00293763/step Wall: 1576.23, 0.00293763/step, 3.63711 hours remaining, 204.925781 MB of memory in use. ENERGY: 542800 747.9870 2182.7122 1950.5930 117.1384 -206118.5584 17448.3136 0.0000 0.0000 34069.7858 -149602.0284 297.5399 -183671.8143 -149510.0168 298.2592 -261.9414 -228.2636 557765.4478 13.3098 13.3734 PRESSURE: 543000 -188.971 158.009 28.2596 158.01 -211.169 -71.3108 28.2591 -71.3107 -209.877 GPRESSURE: 543000 -154.331 215.537 96.0297 182.988 -227.899 -96.8314 33.5461 0.944848 -124.323 PRESSAVG: 543000 -11.1303 -8.65452 16.875 -8.65452 -53.5658 1.87194 16.875 1.87196 51.4671 GPRESSAVG: 543000 -11.7669 -9.32222 19.2406 -10.4862 -52.4814 1.06348 15.487 1.71626 51.4457 TIMING: 543000 CPU: 1576.81, 0.00290174/step Wall: 1576.81, 0.00290174/step, 3.59251 hours remaining, 204.925781 MB of memory in use. ENERGY: 543000 753.0242 2130.9095 1988.0770 110.5704 -206453.7902 17792.2375 0.0000 0.0000 34070.0278 -149608.9440 297.5420 -183678.9718 -149510.2658 297.6474 -203.3388 -168.8512 558009.4201 -4.4097 -4.2675 PRESSURE: 543200 65.1912 -77.5408 62.7249 -77.5417 -105.053 -159.543 62.7249 -159.542 -139.255 GPRESSURE: 543200 125.76 -142.666 74.9853 38.6029 -89.8958 -75.8271 67.0133 -154.125 -123.628 PRESSAVG: 543200 9.4783 30.1763 -7.23864 30.1764 -8.5002 19.564 -7.23871 19.5638 -2.39302 GPRESSAVG: 543200 10.2646 30.6601 -8.73398 32.2683 -8.77071 19.77 -5.79314 18.7027 -3.24392 TIMING: 543200 CPU: 1577.39, 0.00289296/step Wall: 1577.39, 0.00289296/step, 3.58148 hours remaining, 204.925781 MB of memory in use. ENERGY: 543200 758.4596 2033.4438 1998.8319 117.8402 -206369.7548 17807.0962 0.0000 0.0000 33981.6787 -149672.4044 296.7705 -183654.0830 -149577.0205 298.2362 -59.7055 -29.2546 557305.3671 -0.4716 -0.5833 PRESSURE: 543400 -199.717 41.2914 -86.8644 41.2914 -369.188 153.566 -86.8643 153.567 -180.296 GPRESSURE: 543400 -174.441 74.5925 -176.905 34.8443 -285.044 77.3599 -27.9394 173.139 -188.848 PRESSAVG: 543400 10.0414 23.3348 -14.7089 23.3348 -20.8486 18.1103 -14.709 18.1103 19.671 GPRESSAVG: 543400 10.3792 23.8455 -11.8253 22.2351 -20.463 18.5458 -16.6033 16.8298 19.1226 TIMING: 543400 CPU: 1577.97, 0.00290479/step Wall: 1577.97, 0.00290479/step, 3.59597 hours remaining, 204.925781 MB of memory in use. ENERGY: 543400 737.4369 2109.8301 1967.4296 114.4543 -206154.5879 17717.6798 0.0000 0.0000 34034.3026 -149473.4546 297.2300 -183507.7572 -149389.3908 297.6213 -249.7337 -216.1109 558336.6834 2.9546 3.0130 PRESSURE: 543600 -53.3065 -147.771 -1.0968 -147.771 12.2351 49.5401 -1.09753 49.5412 -274.873 GPRESSURE: 543600 -54.1438 -184.39 35.2347 -127.722 42.4722 58.5442 -115.009 -13.1873 -212.574 PRESSAVG: 543600 5.92779 35.5248 -96.7051 35.5249 7.29713 -49.6426 -96.7051 -49.6427 6.59643 GPRESSAVG: 543600 5.49088 35.8649 -98.6719 33.9197 6.10674 -50.7578 -96.1812 -48.8652 7.99487 TIMING: 543600 CPU: 1578.55, 0.00289877/step Wall: 1578.55, 0.00289877/step, 3.58836 hours remaining, 204.925781 MB of memory in use. ENERGY: 543600 729.3510 2070.6806 1973.7627 118.0913 -206435.7487 17693.8820 0.0000 0.0000 34258.1838 -149591.7973 299.1852 -183849.9811 -149499.2169 298.6571 -105.3149 -74.7486 556645.8617 6.6071 6.5308 PRESSURE: 543800 -33.3467 -158.899 -176.98 -158.898 -79.4857 -122.557 -176.98 -122.557 20.0476 GPRESSURE: 543800 -29.6704 -24.4307 -100.362 -289.865 36.4933 -114.439 -221.225 -120.704 3.97452 PRESSAVG: 543800 29.6228 -61.0797 14.5323 -61.0797 -34.1256 -66.2884 14.5323 -66.2884 -27.4561 GPRESSAVG: 543800 29.7523 -63.3322 16.3498 -59.3758 -34.1125 -63.2862 14.6942 -66.215 -27.5845 TIMING: 543800 CPU: 1579.12, 0.00287512/step Wall: 1579.12, 0.00287512/step, 3.55892 hours remaining, 204.925781 MB of memory in use. ENERGY: 543800 730.5898 2078.6529 1966.0609 132.5814 -206293.9563 17785.2928 0.0000 0.0000 33895.5014 -149705.2772 296.0178 -183600.7786 -149603.0339 297.9012 -30.9283 3.5991 557451.7840 -10.6529 -10.6482 PRESSURE: 544000 115.93 57.3246 109.947 57.3252 63.8041 -96.6864 109.948 -96.685 -205.19 GPRESSURE: 544000 138.651 118.66 220.197 -22.3092 49.5212 -34.2908 86.5899 -140.022 -127.807 PRESSAVG: 544000 5.99476 -52.6716 36.5495 -52.6716 33.7318 3.52364 36.5496 3.5237 -53.9895 GPRESSAVG: 544000 6.3927 -51.4213 35.9746 -52.513 33.5233 2.76991 37.3305 2.2735 -54.0875 TIMING: 544000 CPU: 1579.7, 0.00288206/step Wall: 1579.7, 0.00288206/step, 3.56735 hours remaining, 204.925781 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: 544000 748.8990 2064.5023 1963.1932 101.7230 -206612.2883 17858.5434 0.0000 0.0000 34100.4532 -149774.9743 297.8077 -183875.4274 -149687.5954 298.0895 -8.4855 20.1219 556787.4440 -4.7543 -4.7238 PRESSURE: 544200 5.98704 -44.7814 -96.0241 -44.7821 -163.039 -101.954 -96.0237 -101.953 -85.1102 GPRESSURE: 544200 45.1822 -86.8838 -152.387 -30.9398 -126.976 -106.538 -47.3495 -123.704 -65.4956 PRESSAVG: 544200 45.8568 -1.55055 46.7037 -1.55054 -21.1362 -44.5748 46.7037 -44.5748 -12.7688 GPRESSAVG: 544200 45.903 -3.0803 47.5538 -0.276813 -21.1059 -46.8726 47.0649 -41.3967 -13.0017 TIMING: 544200 CPU: 1580.28, 0.00291068/step Wall: 1580.28, 0.00291068/step, 3.60262 hours remaining, 204.925781 MB of memory in use. ENERGY: 544200 730.3419 2055.9555 1966.1559 113.4888 -206574.4576 17826.9285 0.0000 0.0000 34140.6976 -149740.8894 298.1592 -183881.5870 -149647.4956 297.0955 -80.7208 -49.0966 558449.9578 3.9839 3.9318 LDB: ============= START OF LOAD BALANCING ============== 1583.75 LDB: ============== END OF LOAD BALANCING =============== 1583.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1583.75 LDB: ============= START OF LOAD BALANCING ============== 1584.04 LDB: Largest compute 4826 load 0.027251 is 23.2% of average load 0.117546 LDB: Average compute 0.001723 is 1.5% of average load 0.117546 LDB: TIME 1584.05 LOAD: AVG 0.117546 MAX 0.177018 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 1584.05 LOAD: AVG 0.117546 MAX 0.177018 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.289 MB LDB: TIME 1584.05 LOAD: AVG 0.117546 MAX 0.177018 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.289 MB LDB: ============== END OF LOAD BALANCING =============== 1584.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1584.05 PRESSURE: 544400 25.6315 75.945 -166.863 75.9457 67.9007 20.5353 -166.862 20.5335 -270.911 GPRESSURE: 544400 -15.9709 14.0171 -104.577 24.1237 141.257 -44.0114 -134.366 8.54046 -210.886 PRESSAVG: 544400 -30.6085 -15.4142 30.4759 -15.4142 31.2859 -41.3652 30.4759 -41.3652 29.6435 GPRESSAVG: 544400 -29.8356 -13.77 30.2451 -16.5801 29.9799 -40.457 29.2132 -42.0575 29.8192 TIMING: 544400 CPU: 1580.88, 0.0029698/step Wall: 1580.88, 0.0029698/step, 3.67563 hours remaining, 205.460938 MB of memory in use. ENERGY: 544400 769.5654 2049.6065 1985.2690 116.4832 -206515.2420 17833.0494 0.0000 0.0000 33896.2394 -149865.0292 296.0243 -183761.2686 -149767.0387 297.8242 -59.1264 -28.5332 557692.2284 10.1070 9.9878 PRESSURE: 544600 -278.179 35.2315 -38.9804 35.231 50.0097 -45.483 -38.9802 -45.4825 -119.265 GPRESSURE: 544600 -239.722 18.8727 11.6296 28.9075 18.2221 -76.7574 -29.3476 -17.8965 -29.2236 PRESSAVG: 544600 -38.1028 -24.9211 -42.5684 -24.9211 12.5578 -41.2904 -42.5685 -41.2903 8.06653 GPRESSAVG: 544600 -38.7675 -27.0423 -42.9954 -23.3392 13.1084 -41.0487 -43.1004 -41.486 7.92105 TIMING: 544600 CPU: 1581.45, 0.0028849/step Wall: 1581.45, 0.0028849/step, 3.57039 hours remaining, 205.917969 MB of memory in use. ENERGY: 544600 747.7002 2061.8255 2014.7756 122.8681 -206557.6970 17807.0685 0.0000 0.0000 33976.6083 -149826.8509 296.7262 -183803.4592 -149737.2172 297.7865 -115.8113 -83.5744 555831.1506 -5.8261 -5.9127 PRESSURE: 544800 -55.0798 -0.828534 41.0592 -0.827803 103.544 -79.5584 41.0595 -79.5591 245.52 GPRESSURE: 544800 -35.5189 -25.6577 41.5959 -13.8325 178.391 -61.1423 137.141 -49.9818 242.331 PRESSAVG: 544800 -26.0729 -37.1001 -36.9296 -37.1 5.50186 -31.5986 -36.9296 -31.5985 13.5578 GPRESSAVG: 544800 -27.3598 -37.6425 -37.3932 -38.0979 6.42194 -31.1272 -33.1992 -32.3715 14.1632 TIMING: 544800 CPU: 1582.03, 0.00289329/step Wall: 1582.03, 0.00289329/step, 3.58061 hours remaining, 205.917969 MB of memory in use. ENERGY: 544800 739.0255 2072.2273 1972.8274 107.1075 -206972.3772 18024.7160 0.0000 0.0000 34314.3484 -149742.1250 299.6757 -184056.4734 -149647.8859 298.1667 97.9945 128.4010 556564.6334 -2.3377 -2.2582 PRESSURE: 545000 205.554 -128.333 -51.3535 -128.333 -63.9592 -60.7624 -51.3543 -60.7615 236.528 GPRESSURE: 545000 233.291 -148.622 -68.9481 -96.7917 34.5525 -101.428 -150.782 63.5126 208.362 PRESSAVG: 545000 -22.427 -8.44149 -1.18785 -8.44153 10.5121 -6.5693 -1.18781 -6.56936 13.0624 GPRESSAVG: 545000 -21.5961 -8.08237 -0.814975 -8.4046 10.4785 -6.57743 -4.71558 -5.96364 11.8467 TIMING: 545000 CPU: 1582.61, 0.00290236/step Wall: 1582.61, 0.00290236/step, 3.59168 hours remaining, 205.917969 MB of memory in use. ENERGY: 545000 740.8955 2064.3090 1978.2442 104.3099 -206860.4798 18095.4615 0.0000 0.0000 34194.6497 -149682.6100 298.6304 -183877.2597 -149581.1091 298.4884 126.0411 158.7350 556479.2927 0.3825 0.2430 PRESSURE: 545200 -119.92 -248.877 -89.4375 -248.878 75.9637 -3.5731 -89.4381 -3.57184 -1.68411 GPRESSURE: 545200 -122.887 -240.304 -176.61 -368.98 140.134 23.9069 -61.0153 -0.24793 32.53 PRESSAVG: 545200 62.9898 -39.7478 -21.6303 -39.7478 -37.3006 12.9124 -21.6303 12.9124 -61.5915 GPRESSAVG: 545200 63.3581 -38.5582 -22.6369 -41.4825 -37.301 12.7249 -20.7135 13.1688 -62.2995 TIMING: 545200 CPU: 1583.19, 0.00289365/step Wall: 1583.19, 0.00289365/step, 3.58073 hours remaining, 205.917969 MB of memory in use. ENERGY: 545200 727.4277 2070.2118 1999.4813 106.1465 -206434.3294 17690.8822 0.0000 0.0000 34079.9208 -149760.2591 297.6284 -183840.1799 -149667.6190 297.5392 -15.2133 16.5924 555465.9751 -11.9674 -12.0808 PRESSURE: 545400 -68.1606 14.734 71.7472 14.7334 -117.844 36.7685 71.7453 36.7681 -164.246 GPRESSURE: 545400 -57.5058 -4.37433 110.255 -47.3772 -62.6255 -6.27658 30.0763 52.445 -136.872 PRESSAVG: 545400 31.5857 -35.0079 60.6278 -35.008 -3.85819 66.3414 60.6278 66.3413 21.9601 GPRESSAVG: 545400 29.3621 -34.4574 62.341 -35.2686 -2.97917 66.2715 63.2806 65.8037 22.8006 TIMING: 545400 CPU: 1583.77, 0.00289886/step Wall: 1583.77, 0.00289886/step, 3.58702 hours remaining, 205.917969 MB of memory in use. ENERGY: 545400 744.0879 2022.5219 1990.5965 109.5426 -206397.5199 17662.1749 0.0000 0.0000 34025.6684 -149842.9277 297.1546 -183868.5961 -149745.1202 297.5552 -116.7502 -85.6677 555410.9195 16.5625 16.3945 PRESSURE: 545600 118.095 77.648 -69.9056 77.6491 -69.1204 80.6377 -69.9068 80.6373 14.8132 GPRESSURE: 545600 141.508 190.166 -109.674 52.9162 -76.1199 112.79 -33.5637 -15.5746 90.403 PRESSAVG: 545600 26.9348 -37.6833 20.9823 -37.6833 -15.7179 -42.133 20.9824 -42.133 -11.7672 GPRESSAVG: 545600 28.5226 -37.9639 19.813 -37.4539 -16.9903 -42.9806 17.3904 -40.8678 -12.0287 TIMING: 545600 CPU: 1584.35, 0.00288765/step Wall: 1584.35, 0.00288765/step, 3.57298 hours remaining, 205.917969 MB of memory in use. ENERGY: 545600 732.4662 2094.7528 1997.8442 108.4064 -206663.2331 17892.3559 0.0000 0.0000 34284.1520 -149553.2557 299.4120 -183837.4076 -149461.2722 298.2115 21.2627 51.9304 555773.8551 -0.1835 -0.1655 PRESSURE: 545800 -13.8529 -112.468 34.1789 -112.469 278.568 -48.4308 34.1808 -48.4302 -80.2531 GPRESSURE: 545800 21.5091 -151.029 54.348 -87.0377 272.003 -29.1985 43.8575 -13.9437 -10.6334 PRESSAVG: 545800 -88.0462 38.7839 -52.0248 38.7839 11.6535 18.6179 -52.0247 18.618 68.7061 GPRESSAVG: 545800 -88.5106 37.8604 -50.8296 38.7187 11.0859 19.9986 -50.1292 16.7226 69.2627 TIMING: 545800 CPU: 1584.93, 0.00288659/step Wall: 1584.93, 0.00288659/step, 3.57151 hours remaining, 205.917969 MB of memory in use. ENERGY: 545800 751.7217 2091.2837 1986.0701 124.7893 -206362.3134 17614.5445 0.0000 0.0000 34126.8608 -149667.0432 298.0384 -183793.9040 -149581.8713 298.6481 61.4875 94.2929 555040.8612 -2.5622 -2.7206 PRESSURE: 546000 -100.965 155.407 7.46316 155.408 -226.529 -125.242 7.46492 -125.242 -309.924 GPRESSURE: 546000 -97.7527 116.119 -54.3056 165.077 -190.796 -210.165 1.38477 -112.654 -246.269 PRESSAVG: 546000 -6.56803 2.30071 -5.01649 2.30057 14.2993 15.99 -5.01652 15.9901 -12.4077 GPRESSAVG: 546000 -6.3469 3.34029 -5.75255 4.09197 13.4086 16.53 -4.60709 15.8729 -11.9572 TIMING: 546000 CPU: 1585.51, 0.00289109/step Wall: 1585.51, 0.00289109/step, 3.57692 hours remaining, 205.988281 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: 546000 720.3025 2054.9920 1988.1228 122.5960 -206213.8231 17502.0087 0.0000 0.0000 34126.5861 -149699.2150 298.0360 -183825.8011 -149597.9186 298.3134 -212.4726 -178.2725 557424.7235 -1.5588 -1.6318 PRESSURE: 546200 -305.205 -138.696 -23.4176 -138.696 -57.6913 -101.595 -23.4176 -101.594 -501.85 GPRESSURE: 546200 -236.64 -199.034 3.0539 -129.649 -48.8124 3.18528 -20.0238 -95.2345 -479.58 PRESSAVG: 546200 -33.3449 19.4395 -37.8723 19.4394 101.348 36.7595 -37.8723 36.7594 -70.7935 GPRESSAVG: 546200 -33.3213 20.2447 -37.3156 18.6067 102.83 34.131 -39.811 37.8042 -72.2789 TIMING: 546200 CPU: 1586.08, 0.00289838/step Wall: 1586.08, 0.00289838/step, 3.58577 hours remaining, 206.000000 MB of memory in use. ENERGY: 546200 770.4239 2151.3127 1975.5771 120.5765 -205837.9971 17276.9932 0.0000 0.0000 33902.5860 -149640.5278 296.0797 -183543.1138 -149550.4122 297.8486 -288.2488 -255.0105 558543.8063 -0.9301 -0.9234 PRESSURE: 546400 -27.7358 6.71139 87.4498 6.71175 82.106 -3.27345 87.4493 -3.27468 -98.4968 GPRESSURE: 546400 -15.0296 66.1528 84.0935 -26.8756 86.2871 67.2764 121.864 -51.3732 -16.1229 PRESSAVG: 546400 42.3599 -13.1516 -1.00435 -13.1516 17.5284 -12.406 -1.00438 -12.406 -56.8759 GPRESSAVG: 546400 41.0755 -13.7588 -1.88847 -12.8153 18.1383 -10.8333 -0.0268774 -12.5996 -55.9364 TIMING: 546400 CPU: 1586.66, 0.00289668/step Wall: 1586.66, 0.00289668/step, 3.58352 hours remaining, 206.000000 MB of memory in use. ENERGY: 546400 749.1785 2104.9793 1942.0130 104.6478 -206353.8569 17640.0426 0.0000 0.0000 34164.7139 -149648.2818 298.3689 -183812.9956 -149552.4051 297.9463 -14.7089 18.3782 555801.8506 1.0041 1.0925 PRESSURE: 546600 -353.06 126.827 -5.40092 126.826 -214.702 -109.799 -5.40245 -109.798 -176.526 GPRESSURE: 546600 -358.499 176.165 108.513 123.225 -159.461 -139.719 -64.0465 -105.094 -128.185 PRESSAVG: 546600 56.8058 32.1659 -22.683 32.1659 11.5869 6.10733 -22.6829 6.10723 -81.3692 GPRESSAVG: 546600 58.4153 32.0368 -22.7859 30.8893 10.4457 6.43829 -21.7001 3.20217 -81.9068 TIMING: 546600 CPU: 1587.24, 0.00290281/step Wall: 1587.24, 0.00290281/step, 3.59094 hours remaining, 206.000000 MB of memory in use. ENERGY: 546600 740.5837 2143.1485 1942.3205 118.5572 -206054.1514 17337.5456 0.0000 0.0000 34101.1630 -149670.8330 297.8139 -183771.9960 -149577.8248 297.6940 -248.0962 -215.3817 556116.6542 -4.3255 -4.3486 PRESSURE: 546800 -93.5709 116.108 -136.519 116.107 -103.686 -39.0285 -136.519 -39.0282 -449.842 GPRESSURE: 546800 -75.3011 55.4739 -125.282 65.0072 -98.3355 -56.0559 -99.8942 92.3928 -371.484 PRESSAVG: 546800 20.429 2.10399 -40.034 2.10401 -22.6565 -8.03495 -40.034 -8.03498 -13.8865 GPRESSAVG: 546800 19.9363 1.22351 -39.812 2.63256 -23.0011 -9.91515 -40.6542 -4.7012 -13.1374 TIMING: 546800 CPU: 1587.83, 0.00291147/step Wall: 1587.83, 0.00291147/step, 3.60148 hours remaining, 206.000000 MB of memory in use. ENERGY: 546800 710.2495 2108.9871 1949.3984 107.1788 -205829.4507 17369.6022 0.0000 0.0000 34071.5212 -149512.5134 297.5551 -183584.0346 -149411.0313 298.0969 -215.6997 -181.7068 557095.1840 -5.3713 -5.4008 PRESSURE: 547000 -197.624 -159.904 -87.7813 -159.903 -204.381 -94.4364 -87.781 -94.436 -254.312 GPRESSURE: 547000 -108.987 -206.632 -5.47256 -115.633 -177.584 -73.6482 -49.3802 -217.289 -278.063 PRESSAVG: 547000 46.2498 -7.29755 -7.45588 -7.29746 -20.8724 -23.2861 -7.45592 -23.2862 -53.5401 GPRESSAVG: 547000 45.7291 -5.91344 -5.0452 -6.94788 -19.3541 -18.8255 -7.26611 -25.3142 -55.3473 TIMING: 547000 CPU: 1588.41, 0.00290997/step Wall: 1588.41, 0.00290997/step, 3.59948 hours remaining, 206.000000 MB of memory in use. ENERGY: 547000 757.1294 2106.3546 1997.6536 107.5698 -206273.3270 17688.1296 0.0000 0.0000 34114.7973 -149501.6926 297.9330 -183616.4899 -149403.6615 298.1645 -218.7724 -188.2112 557454.0648 -9.3876 -9.6574 PRESSURE: 547200 -211.046 61.5375 124.252 61.5374 73.8057 -94.6225 124.252 -94.623 110.212 GPRESSURE: 547200 -175.404 58.6858 198.336 21.4544 112.467 -11.3084 78.5184 -169.713 139.852 PRESSAVG: 547200 35.5503 7.17934 -23.4705 7.17934 2.01768 -97.4267 -23.4705 -97.4268 9.47777 GPRESSAVG: 547200 34.9281 5.18288 -24.3834 6.13915 0.638 -100.07 -25.8818 -95.955 11.5777 TIMING: 547200 CPU: 1588.99, 0.0029169/step Wall: 1588.99, 0.0029169/step, 3.60788 hours remaining, 206.000000 MB of memory in use. ENERGY: 547200 731.0076 2107.9537 2019.0477 98.7017 -206187.9844 17842.2916 0.0000 0.0000 34008.3904 -149380.5917 297.0037 -183388.9821 -149288.8349 298.5598 -9.0093 25.6382 557627.5430 15.6819 15.7146 PRESSURE: 547400 50.3209 106.523 -53.6352 106.522 -199.438 6.66058 -53.6356 6.66243 -164.353 GPRESSURE: 547400 109.627 77.8254 -55.1369 186.917 -215.099 99.6498 -3.88383 -76.0305 -98.5442 PRESSAVG: 547400 52.8695 32.4143 -6.15688 32.4143 -25.763 -7.89556 -6.15684 -7.8957 -23.8237 GPRESSAVG: 547400 53.4947 34.255 -6.91094 32.7182 -25.0993 -7.59466 -6.8938 -6.29078 -25.6024 TIMING: 547400 CPU: 1589.57, 0.00288423/step Wall: 1589.57, 0.00288423/step, 3.56731 hours remaining, 206.000000 MB of memory in use. ENERGY: 547400 740.3804 2105.5277 1968.9901 103.1002 -206115.8943 17712.5181 0.0000 0.0000 34281.9204 -149203.4574 299.3925 -183485.3778 -149103.7362 299.3034 -104.4903 -68.0053 558251.5780 1.0942 0.9310 PRESSURE: 547600 -42.5581 33.871 -76.5238 33.8724 247.179 134.652 -76.5238 134.652 -86.2501 GPRESSURE: 547600 -25.5138 5.76664 -69.9399 -62.804 305.838 131.499 -85.1227 163.132 -62.6688 PRESSAVG: 547600 52.0005 -27.8504 2.16031 -27.8504 -10.7323 40.446 2.16028 40.446 -23.649 GPRESSAVG: 547600 51.4566 -29.125 0.346135 -26.8775 -10.8281 40.9504 4.81044 38.7157 -23.4382 TIMING: 547600 CPU: 1590.16, 0.00293374/step Wall: 1590.16, 0.00293374/step, 3.62838 hours remaining, 206.000000 MB of memory in use. ENERGY: 547600 799.7955 2108.1308 1990.0019 121.3888 -206516.6433 18136.9222 0.0000 0.0000 34062.0082 -149298.3959 297.4720 -183360.4042 -149199.0589 299.2182 39.4570 72.5519 557493.1334 5.8730 5.7301 PRESSURE: 547800 -110.018 10.6249 -32.2113 10.6265 96.761 11.8252 -32.2111 11.8243 100.175 GPRESSURE: 547800 -27.2821 -18.2565 31.3754 -1.0437 60.8732 0.501103 11.099 -126.583 142.872 PRESSAVG: 547800 31.2369 -12.1473 11.3159 -12.1473 86.7141 25.2741 11.3159 25.274 -66.2054 GPRESSAVG: 547800 32.6188 -11.1891 10.3884 -13.6991 85.6997 25.4302 10.8522 24.883 -66.5418 TIMING: 547800 CPU: 1590.74, 0.00291602/step Wall: 1590.74, 0.00291602/step, 3.60631 hours remaining, 206.000000 MB of memory in use. ENERGY: 547800 776.5302 2146.8088 1946.2888 109.6565 -206472.9892 17884.2885 0.0000 0.0000 34157.1757 -149452.2408 298.3031 -183609.4164 -149357.0841 298.7811 28.9729 58.8212 556101.0472 17.2486 17.2589 PRESSURE: 548000 -135.49 44.908 -196.719 44.9079 77.1648 -19.9592 -196.719 -19.9589 -415.982 GPRESSURE: 548000 -104.339 65.8878 -199.284 100.274 76.4451 -17.8475 -216.808 -92.8245 -342.776 PRESSAVG: 548000 16.0515 2.28157 -11.3024 2.28154 50.5138 -45.2358 -11.3023 -45.2357 -7.05346 GPRESSAVG: 548000 15.5615 0.860583 -9.31554 2.83314 50.6787 -45.9713 -11.6005 -43.2766 -6.28617 TIMING: 548000 CPU: 1591.32, 0.00289577/step Wall: 1591.32, 0.00289577/step, 3.58111 hours remaining, 206.000000 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: 548000 753.4469 2115.3228 1964.5939 112.5723 -206009.9429 17505.2581 0.0000 0.0000 34088.7508 -149469.9980 297.7055 -183558.7488 -149365.8556 298.1725 -158.1021 -123.5568 557033.5342 19.8373 19.9847 PRESSURE: 548200 16.4918 -77.8108 -38.0121 -77.8112 -224.678 -61.3323 -38.0113 -61.3332 19.3415 GPRESSURE: 548200 -11.0306 -40.7022 8.61452 -78.5414 -175.92 -105 -49.5829 -25.0993 91.0252 PRESSAVG: 548200 -5.64319 -45.4772 -28.0208 -45.4772 -21.2027 1.33517 -28.0209 1.33514 -1.12546 GPRESSAVG: 548200 -5.77901 -45.2098 -27.2453 -44.6375 -20.555 0.142149 -29.756 2.73145 -1.71101 TIMING: 548200 CPU: 1591.9, 0.002899/step Wall: 1591.9, 0.002899/step, 3.58493 hours remaining, 206.000000 MB of memory in use. ENERGY: 548200 744.2153 2097.8996 1969.7288 102.9572 -206163.0419 17694.1622 0.0000 0.0000 34080.8310 -149473.2479 297.6364 -183554.0789 -149381.1118 298.3905 -62.9482 -31.9752 555305.1590 -9.3238 -9.3483 LDB: ============= START OF LOAD BALANCING ============== 1595.36 LDB: ============== END OF LOAD BALANCING =============== 1595.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1595.36 LDB: ============= START OF LOAD BALANCING ============== 1595.65 LDB: Largest compute 4827 load 0.027605 is 23.5% of average load 0.117620 LDB: Average compute 0.001731 is 1.5% of average load 0.117620 LDB: TIME 1595.66 LOAD: AVG 0.11762 MAX 0.176654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.891 MB LDB: TIME 1595.66 LOAD: AVG 0.11762 MAX 0.176654 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: TIME 1595.66 LOAD: AVG 0.11762 MAX 0.176654 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1595.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1595.66 PRESSURE: 548400 -246.382 -209.927 1.47575 -209.927 47.7164 -149.723 1.47536 -149.724 -32.1034 GPRESSURE: 548400 -165.755 -155.064 51.1509 -211.45 -18.2557 -132.419 -9.35942 -200.462 55.7224 PRESSAVG: 548400 -3.71312 -61.7658 -44.9299 -61.7657 19.9646 -28.7556 -44.93 -28.7555 -21.9817 GPRESSAVG: 548400 -3.95296 -59.7557 -47.3716 -63.9825 20.2022 -28.4369 -42.151 -31.2828 -22.4913 TIMING: 548400 CPU: 1592.49, 0.00295161/step Wall: 1592.49, 0.00295161/step, 3.64984 hours remaining, 205.132812 MB of memory in use. ENERGY: 548400 735.1390 2104.1223 1982.1227 117.9162 -206443.5449 17846.3167 0.0000 0.0000 34294.1826 -149363.7455 299.4996 -183657.9280 -149264.1270 298.6205 -76.9229 -42.7629 556751.0383 -1.9101 -2.0807 PRESSURE: 548600 -23.9066 71.6801 147.684 71.6807 143.604 23.1227 147.684 23.1217 30.5892 GPRESSURE: 548600 -103.906 92.7659 145.927 -33.6946 196.36 -27.0593 59.73 95.8332 145.178 PRESSAVG: 548600 -15.6553 10.9119 -36.5615 10.9118 21.548 -26.307 -36.5614 -26.3069 -22.8923 GPRESSAVG: 548600 -15.6211 10.4024 -35.5757 10.6858 20.271 -23.5846 -36.8463 -27.223 -21.8577 TIMING: 548600 CPU: 1593.07, 0.00288867/step Wall: 1593.07, 0.00288867/step, 3.57184 hours remaining, 205.132812 MB of memory in use. ENERGY: 548600 713.9376 2083.6056 1982.6611 109.1102 -206080.3699 17730.6014 0.0000 0.0000 34141.9435 -149318.5106 298.1701 -183460.4541 -149223.1454 298.5736 50.0955 79.2106 557295.8379 -5.6665 -5.7359 PRESSURE: 548800 -184.528 -141.432 -121.783 -141.431 -142.704 -83.9661 -121.783 -83.9659 -209.789 GPRESSURE: 548800 -143.169 -87.7689 -95.7853 -136.356 -155.564 -202.931 -155.06 -78.0477 -138.97 PRESSAVG: 548800 -13.8682 8.17489 -8.84649 8.17494 -0.283593 -33.5384 -8.84646 -33.5384 24.3248 GPRESSAVG: 548800 -14.7266 9.09245 -7.73379 7.09402 0.2535 -35.4888 -11.5145 -31.6992 24.5032 TIMING: 548800 CPU: 1593.64, 0.00287547/step Wall: 1593.64, 0.00287548/step, 3.55537 hours remaining, 205.238281 MB of memory in use. ENERGY: 548800 731.6987 2014.3481 1961.7818 114.1321 -205979.3816 17616.3227 0.0000 0.0000 34154.0028 -149387.0953 298.2754 -183541.0981 -149287.7453 298.7758 -179.0070 -145.9009 558417.8205 3.3910 3.3434 PRESSURE: 549000 195.014 69.5433 -133.128 69.5442 -26.3047 -112.864 -133.128 -112.865 12.9476 GPRESSURE: 549000 246.196 71.5816 -194.326 138.902 24.4289 -148.92 -83.3189 -94.4365 14.4257 PRESSAVG: 549000 114.427 34.7268 16.5609 34.7269 -53.8322 -22.0889 16.5607 -22.0888 -17.652 GPRESSAVG: 549000 114.455 33.9953 15.3917 36.8419 -53.1646 -21.3955 18.2495 -23.6144 -19.0709 TIMING: 549000 CPU: 1594.22, 0.00289701/step Wall: 1594.22, 0.00289701/step, 3.58183 hours remaining, 205.238281 MB of memory in use. ENERGY: 549000 779.1585 2038.9330 1950.7412 106.8082 -206344.4047 18104.2098 0.0000 0.0000 33970.1307 -149394.4233 296.6696 -183364.5539 -149303.8797 299.0719 60.5522 95.0170 558009.6683 14.3141 14.0730 PRESSURE: 549200 -239.75 124.021 87.6711 124.02 -19.6133 -151.969 87.6707 -151.968 114.04 GPRESSURE: 549200 -193.3 104.589 -6.22946 141.47 11.8044 -89.8211 135.187 -122.481 134.365 PRESSAVG: 549200 13.2092 37.0454 -19.6244 37.0454 36.6522 -34.66 -19.6244 -34.66 -70.3789 GPRESSAVG: 549200 12.668 36.7263 -17.8837 37.0075 36.0387 -33.5904 -20.5746 -32.8435 -69.3972 TIMING: 549200 CPU: 1594.8, 0.002891/step Wall: 1594.8, 0.002891/step, 3.57424 hours remaining, 205.238281 MB of memory in use. ENERGY: 549200 722.8437 2073.1739 1959.1224 120.3846 -206342.0574 17771.6563 0.0000 0.0000 34214.2926 -149480.5838 298.8019 -183694.8764 -149384.2032 297.8125 -48.4408 -15.7102 557447.5751 -6.8392 -6.8968 PRESSURE: 549400 5.94293 88.8167 -114.51 88.8173 -268.809 40.1447 -114.51 40.1448 205.742 GPRESSURE: 549400 46.8004 91.4522 -47.957 179.235 -168.125 -17.3085 -96.6848 32.3956 167.164 PRESSAVG: 549400 29.2511 46.5435 -25.6564 46.5435 -18.5215 16.9415 -25.6565 16.9415 43.6508 GPRESSAVG: 549400 30.3214 46.2858 -26.743 48.6038 -18.85 14.82 -22.8614 15.4873 43.4985 TIMING: 549400 CPU: 1595.37, 0.0028709/step Wall: 1595.37, 0.0028709/step, 3.54923 hours remaining, 205.238281 MB of memory in use. ENERGY: 549400 730.9294 2089.9667 1971.6526 127.3439 -206195.6986 17748.8643 0.0000 0.0000 34238.2815 -149288.6603 299.0114 -183526.9418 -149192.2024 298.6153 -19.0412 15.2800 556763.5359 18.1268 18.3233 PRESSURE: 549600 116.347 48.3558 -68.4304 48.3559 81.9476 107.278 -68.4307 107.277 392.502 GPRESSURE: 549600 167.319 45.3583 -21.1286 84.894 92.0251 146.872 -133.911 0.846911 423.151 PRESSAVG: 549600 -11.2139 35.4523 1.19356 35.4523 14.5673 28.7634 1.19356 28.7634 -0.528778 GPRESSAVG: 549600 -13.0034 35.8583 1.41354 34.1489 15.8161 29.1106 -0.578063 28.5664 -0.238557 TIMING: 549600 CPU: 1595.95, 0.00289623/step Wall: 1595.95, 0.00289623/step, 3.58039 hours remaining, 205.496094 MB of memory in use. ENERGY: 549600 782.8819 2090.4194 1999.7117 113.0949 -206559.1158 18097.1864 0.0000 0.0000 34319.5952 -149156.2262 299.7216 -183475.8214 -149059.1904 299.5261 196.9321 227.4981 556806.5459 0.9415 0.8580 PRESSURE: 549800 175.249 37.092 -22.2323 37.0911 -113.615 24.5091 -22.232 24.5078 -194.22 GPRESSURE: 549800 218.206 33.4806 27.5064 65.744 -90.7957 -23.7568 -53.3214 -44.7679 -172.484 PRESSAVG: 549800 29.8593 57.3276 -10.6427 57.3277 -34.0878 -16.1147 -10.6427 -16.1147 -13.5827 GPRESSAVG: 549800 30.957 56.6642 -10.2644 54.8621 -35.3642 -17.6403 -10.3018 -15.4154 -13.5906 TIMING: 549800 CPU: 1596.53, 0.00290211/step Wall: 1596.53, 0.00290211/step, 3.5875 hours remaining, 205.550781 MB of memory in use. ENERGY: 549800 713.0310 2036.5414 2005.0811 108.8002 -206178.9432 17699.5400 0.0000 0.0000 34361.4107 -149254.5389 300.0867 -183615.9495 -149155.5958 299.5496 -44.1955 -15.0246 557816.2543 -5.9371 -5.9993 PRESSURE: 550000 -102.341 93.4216 19.7961 93.4211 -0.0496295 -136.72 19.7958 -136.721 -105.491 GPRESSURE: 550000 -91.9528 125.282 25.4808 40.1315 27.9816 -128.1 21.0139 -131.121 -47.9489 PRESSAVG: 550000 64.3437 33.4818 40.4305 33.4819 21.42 8.6599 40.4305 8.65979 -53.1187 GPRESSAVG: 550000 63.0061 33.3021 39.2451 34.8096 23.2531 8.55091 39.7849 7.4348 -54.189 TIMING: 550000 CPU: 1597.11, 0.00289756/step Wall: 1597.11, 0.00289756/step, 3.5817 hours remaining, 205.550781 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: 550000 722.6442 2029.9649 1981.9572 127.3765 -206139.0117 17742.3030 0.0000 0.0000 34412.5486 -149122.2172 300.5333 -183534.7658 -149019.5757 299.9245 -69.2938 -37.3067 558202.2418 10.8817 10.6901 PRESSURE: 550200 -105.422 75.0845 42.7462 75.0861 -176.18 45.2688 42.747 45.2707 171.577 GPRESSURE: 550200 -59.011 104.466 42.723 100.855 -82.2557 116.9 73.7865 -27.3224 131.791 PRESSAVG: 550200 -28.9321 12.8525 32.7475 12.8524 -27.7454 -3.28325 32.7476 -3.28325 49.9616 GPRESSAVG: 550200 -27.9975 12.2838 33.7386 12.5045 -29.1415 -1.37441 33.2413 -3.34789 50.1385 TIMING: 550200 CPU: 1597.69, 0.00290869/step Wall: 1597.69, 0.00290869/step, 3.5953 hours remaining, 205.550781 MB of memory in use. ENERGY: 550200 751.0067 2079.4413 1980.2972 107.8141 -206178.3391 17802.0652 0.0000 0.0000 34389.5870 -149068.1275 300.3328 -183457.7145 -148975.5906 300.2870 -36.6750 -3.1585 557688.7783 -2.2386 -2.3335 PRESSURE: 550400 -377.259 74.0492 37.5481 74.0488 -413.222 -153.194 37.5482 -153.192 -296.19 GPRESSURE: 550400 -380.409 103.388 96.5863 76.9096 -325.925 -145.372 46.1878 -202.512 -294.145 PRESSAVG: 550400 -13.8016 -34.324 58.6542 -34.3239 13.5832 -27.5689 58.6541 -27.569 34.6659 GPRESSAVG: 550400 -13.8726 -33.2222 58.614 -34.7418 13.2425 -27.6206 59.3109 -25.1844 34.2374 TIMING: 550400 CPU: 1598.28, 0.00291655/step Wall: 1598.28, 0.00291655/step, 3.60485 hours remaining, 205.550781 MB of memory in use. ENERGY: 550400 814.6982 2100.1809 1982.2772 112.9214 -205404.4247 17308.0548 0.0000 0.0000 33915.9476 -149170.3445 296.1964 -183086.2922 -149081.2413 300.0130 -362.2239 -333.4931 558911.5471 11.4825 11.2024 PRESSURE: 550600 -74.2585 39.7524 -17.0153 39.7527 -130.536 -7.3701 -17.0151 -7.37038 75.4645 GPRESSURE: 550600 -36.6846 74.0696 -69.5004 -43.1795 -54.3073 -15.5965 -41.9848 44.0264 59.612 PRESSAVG: 550600 -18.2124 26.1052 43.5966 26.1052 -22.6439 16.1448 43.5966 16.1447 46.3245 GPRESSAVG: 550600 -17.6091 24.442 42.898 26.9262 -22.0873 13.9762 43.6905 14.845 45.4327 TIMING: 550600 CPU: 1598.86, 0.00290934/step Wall: 1598.86, 0.00290934/step, 3.59578 hours remaining, 205.550781 MB of memory in use. ENERGY: 550600 744.8980 2112.8363 1979.0739 121.5995 -206129.6911 17785.6657 0.0000 0.0000 34146.9377 -149238.6800 298.2137 -183385.6177 -149137.3806 298.5286 -43.1100 -10.4600 557084.3070 1.8227 1.9121 PRESSURE: 550800 -29.5539 -130.186 -85.4574 -130.186 24.5706 -43.5672 -85.4576 -43.5653 407.339 GPRESSURE: 550800 12.4579 -42.036 -146.759 -133.81 66.4318 -39.2397 -17.6579 14.8229 423.515 PRESSAVG: 550800 10.7068 -6.27836 -34.924 -6.27836 -25.8498 -43.7405 -34.9241 -43.7404 8.84443 GPRESSAVG: 550800 10.2392 -5.96988 -34.8562 -7.24225 -26.3471 -44.0088 -35.9444 -42.2086 9.78249 TIMING: 550800 CPU: 1599.44, 0.00290609/step Wall: 1599.44, 0.00290609/step, 3.59161 hours remaining, 205.550781 MB of memory in use. ENERGY: 550800 695.3850 2064.5718 1967.2261 108.9236 -205936.5232 17820.9565 0.0000 0.0000 33935.3648 -149344.0954 296.3660 -183279.4602 -149249.3077 298.1156 134.1185 167.4683 558628.8037 -2.0995 -2.1085 PRESSURE: 551000 115.558 -65.9083 -102.482 -65.9082 71.9389 -52.2345 -102.482 -52.2321 252.109 GPRESSURE: 551000 146.358 -29.0666 -109.209 -61.7286 121.619 -135.855 -14.5399 28.0163 271.927 PRESSAVG: 551000 -26.9824 -3.61012 28.341 -3.61015 2.32179 30.1035 28.341 30.1035 26.1379 GPRESSAVG: 551000 -26.4716 -4.49337 26.7467 -2.60536 1.38567 31.1849 29.6291 28.6166 26.2963 TIMING: 551000 CPU: 1600.02, 0.00289925/step Wall: 1600.02, 0.00289925/step, 3.58298 hours remaining, 205.550781 MB of memory in use. ENERGY: 551000 722.0785 2055.5028 2009.8252 116.6874 -206353.2248 17964.7344 0.0000 0.0000 34226.3934 -149258.0031 298.9076 -183484.3965 -149166.0378 298.4598 146.5353 179.9682 556690.2431 0.4924 0.4035 PRESSURE: 551200 -55.0591 20.7406 66.452 20.7392 95.7041 12.9885 66.4508 12.9893 -80.1998 GPRESSURE: 551200 -68.8064 33.4179 28.6466 57.9383 143.953 38.4418 33.0498 106.196 -20.6334 PRESSAVG: 551200 -2.65074 7.89358 38.6042 7.89361 -10.65 28.2453 38.6042 28.2454 8.59189 GPRESSAVG: 551200 -4.22143 9.02902 40.8179 9.07282 -9.43162 28.7193 37.6195 29.7657 9.29606 TIMING: 551200 CPU: 1600.6, 0.00288541/step Wall: 1600.6, 0.00288541/step, 3.56572 hours remaining, 205.550781 MB of memory in use. ENERGY: 551200 746.0013 2068.6284 1996.8398 109.4170 -206214.4088 17887.2347 0.0000 0.0000 34216.2260 -149190.0616 298.8188 -183406.2876 -149088.4791 299.6181 -13.1849 18.1710 558239.0637 -1.5696 -1.4523 PRESSURE: 551400 -73.4026 42.4044 -56.6994 42.4051 -350.132 165.168 -56.7004 165.168 -97.9362 GPRESSURE: 551400 -46.7849 75.7592 -121.489 31.1928 -277.136 148.537 5.45479 156.739 -100.223 PRESSAVG: 551400 -59.886 -1.50815 32.1646 -1.50818 52.3948 -32.6189 32.1646 -32.6189 20.7708 GPRESSAVG: 551400 -59.0189 -0.333784 32.1601 -2.30289 51.5439 -34.4464 32.3864 -34.8136 20.7344 TIMING: 551400 CPU: 1601.17, 0.00288534/step Wall: 1601.17, 0.00288534/step, 3.56548 hours remaining, 205.550781 MB of memory in use. ENERGY: 551400 745.4455 2132.5130 1977.7118 117.1769 -205989.8557 17559.1965 0.0000 0.0000 34243.9834 -149213.8285 299.0612 -183457.8119 -149112.9727 299.0617 -173.8236 -141.3811 558757.9825 4.4265 4.4198 PRESSURE: 551600 -68.2501 63.1829 -133.48 63.1822 -396.27 -6.5674 -133.48 -6.56874 259.451 GPRESSURE: 551600 -12.2595 163.361 -138.204 40.6733 -365.206 85.2692 -80.1091 39.6228 261.634 PRESSAVG: 551600 -33.5614 60.986 11.0171 60.986 -13.0765 23.2415 11.0171 23.2414 42.4782 GPRESSAVG: 551600 -34.1405 60.9286 10.6567 60.5271 -11.4993 25.3617 9.7354 23.8583 41.6029 TIMING: 551600 CPU: 1601.75, 0.00289893/step Wall: 1601.75, 0.00289893/step, 3.58211 hours remaining, 205.550781 MB of memory in use. ENERGY: 551600 773.3657 2127.4920 1977.6260 125.2665 -206214.3179 17894.6341 0.0000 0.0000 34201.0674 -149114.8662 298.6864 -183315.9336 -149019.1415 299.4472 -68.3564 -38.6106 559029.6826 -1.3866 -1.3456 PRESSURE: 551800 27.5648 76.2433 24.8942 76.2433 -72.117 83.0888 24.8952 83.0854 -147.062 GPRESSURE: 551800 8.3909 69.0987 27.439 -26.6525 -14.0924 127.34 50.0487 164.339 -94.7431 PRESSAVG: 551800 22.7354 17.9545 -7.95625 17.9544 3.76793 41.818 -7.95624 41.8178 13.8818 GPRESSAVG: 551800 22.7057 18.9878 -8.75642 16.333 3.85723 41.789 -6.41831 42.7191 12.9984 TIMING: 551800 CPU: 1602.33, 0.00287741/step Wall: 1602.33, 0.00287741/step, 3.55536 hours remaining, 205.550781 MB of memory in use. ENERGY: 551800 750.5055 2095.0094 1996.5549 130.4837 -205932.5248 17752.2546 0.0000 0.0000 34069.0816 -149138.6351 297.5338 -183207.7167 -149041.1576 299.0999 -63.8715 -33.4815 559875.2007 13.4617 13.1871 PRESSURE: 552000 -61.1841 -93.9973 15.4396 -93.999 54.9134 -59.9412 15.4396 -59.9424 -120.419 GPRESSURE: 552000 6.55459 -25.2313 -33.2115 -48.3561 104.907 -116.781 79.8757 -25.6067 -137.937 PRESSAVG: 552000 34.9135 24.7082 37.3538 24.7081 -9.85075 38.9041 37.3539 38.904 15.1337 GPRESSAVG: 552000 35.6052 25.3313 37.8405 23.9401 -11.1246 39.3965 37.5258 35.779 15.7973 TIMING: 552000 CPU: 1602.91, 0.00288539/step Wall: 1602.91, 0.00288539/step, 3.56506 hours remaining, 205.550781 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: 552000 734.8375 2082.1575 1976.4654 109.9279 -206409.2769 17915.2919 0.0000 0.0000 34301.8662 -149288.7304 299.5667 -183590.5965 -149196.0220 298.9800 -42.2298 -8.8251 557038.0410 13.3988 13.4260 PRESSURE: 552200 -134.751 78.5277 16.1819 78.528 -267.459 -36.6792 16.1827 -36.6806 57.3626 GPRESSURE: 552200 -114.201 69.4556 150.71 169.328 -249.804 -42.4993 -98.4657 -5.32863 110.177 PRESSAVG: 552200 38.0136 45.489 -22.6059 45.489 -53.4469 36.1883 -22.606 36.1883 64.2817 GPRESSAVG: 552200 37.9994 43.7362 -22.2585 47.2269 -53.198 35.0023 -23.3904 36.6843 63.679 TIMING: 552200 CPU: 1603.48, 0.00287197/step Wall: 1603.48, 0.00287197/step, 3.54832 hours remaining, 205.550781 MB of memory in use. ENERGY: 552200 736.3350 2111.9351 1972.9610 124.6582 -206067.7848 17583.9249 0.0000 0.0000 34170.1444 -149367.8262 298.4164 -183537.9707 -149281.4415 298.4588 -114.9490 -84.6096 557742.5055 16.2828 16.1601 LDB: ============= START OF LOAD BALANCING ============== 1606.95 LDB: ============== END OF LOAD BALANCING =============== 1606.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1606.95 LDB: ============= START OF LOAD BALANCING ============== 1607.24 LDB: Largest compute 4827 load 0.026735 is 22.7% of average load 0.117610 LDB: Average compute 0.001717 is 1.5% of average load 0.117610 LDB: TIME 1607.24 LOAD: AVG 0.11761 MAX 0.178536 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 1607.24 LOAD: AVG 0.11761 MAX 0.178536 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: TIME 1607.24 LOAD: AVG 0.11761 MAX 0.178536 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: ============== END OF LOAD BALANCING =============== 1607.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1607.25 PRESSURE: 552400 -350.446 -6.16062 -10.1159 -6.16075 136.956 -50.9527 -10.1178 -50.9544 -77.9876 GPRESSURE: 552400 -277.673 65.0107 8.4181 -70.6342 91.0944 -93.4893 43.3067 -29.9049 -10.9887 PRESSAVG: 552400 -33.2246 55.6286 16.6777 55.6284 -10.4312 43.8894 16.6778 43.8892 39.4912 GPRESSAVG: 552400 -33.6401 55.1503 16.9994 57.4113 -10.2977 44.0188 15.2772 46.5066 40.1556 TIMING: 552400 CPU: 1604.07, 0.00294552/step Wall: 1604.07, 0.00294552/step, 3.63902 hours remaining, 206.238281 MB of memory in use. ENERGY: 552400 728.7683 2112.3617 1996.9238 113.7899 -205986.8344 17747.5091 0.0000 0.0000 34016.7091 -149270.7726 297.0764 -183287.4816 -149174.1901 298.4193 -97.1591 -65.8559 559518.5402 -1.3882 -1.2607 PRESSURE: 552600 136.709 87.1764 -78.6866 87.1764 -68.9453 84.894 -78.6874 84.8922 16.5315 GPRESSURE: 552600 208.075 -32.1299 -63.0618 196.707 -43.2955 10.8292 -77.0246 134.524 10.4166 PRESSAVG: 552600 -36.2321 39.8799 36.9913 39.88 0.708715 54.5476 36.9913 54.5475 35.2938 GPRESSAVG: 552600 -36.7524 43.4249 36.2974 38.5412 1.32599 53.0545 38.2504 55.5035 34.7068 TIMING: 552600 CPU: 1604.65, 0.00288381/step Wall: 1604.65, 0.00288381/step, 3.56262 hours remaining, 206.250000 MB of memory in use. ENERGY: 552600 714.7101 2112.6533 1988.3068 103.9790 -206332.2434 18056.2830 0.0000 0.0000 34033.7261 -149322.5851 297.2250 -183356.3112 -149231.4819 298.6997 28.0985 58.3987 558750.1943 -0.0766 -0.2399 PRESSURE: 552800 60.4848 30.256 130.319 30.2552 -24.1951 40.9925 130.32 40.9924 -209.267 GPRESSURE: 552800 68.8795 -35.3946 119.577 51.3152 36.3429 84.9539 69.6751 9.05085 -185.486 PRESSAVG: 552800 -15.0361 -3.00238 -28.884 -3.0024 15.6809 70.7496 -28.884 70.7497 -11.7001 GPRESSAVG: 552800 -14.0832 -7.10224 -28.1348 -2.90934 14.2171 70.302 -28.6294 70.5006 -11.2089 TIMING: 552800 CPU: 1605.22, 0.00288586/step Wall: 1605.22, 0.00288586/step, 3.565 hours remaining, 206.250000 MB of memory in use. ENERGY: 552800 715.8057 2041.7202 1974.8180 117.0182 -206651.3505 17894.1202 0.0000 0.0000 34247.5929 -149660.2753 299.0927 -183907.8681 -149562.0620 298.1814 -57.6592 -26.7546 559683.2603 -3.6851 -3.6917 PRESSURE: 553000 22.4878 30.0487 -7.49994 30.0486 115.975 -115.198 -7.50055 -115.197 -188.198 GPRESSURE: 553000 49.4819 112.58 -20.7922 -50.2446 126.467 -115.187 -28.7141 -135.396 -134.538 PRESSAVG: 553000 17.4541 59.0363 91.8063 59.0363 27.5738 9.32361 91.8062 9.32368 -48.2735 GPRESSAVG: 553000 17.9107 60.4294 90.3969 58.9403 27.3017 9.71474 92.3015 9.1347 -48.9605 TIMING: 553000 CPU: 1605.8, 0.00289492/step Wall: 1605.8, 0.00289492/step, 3.57603 hours remaining, 206.250000 MB of memory in use. ENERGY: 553000 701.4956 2068.1010 1961.7817 120.8774 -206293.6855 17850.1817 0.0000 0.0000 34057.5406 -149533.7074 297.4330 -183591.2480 -149435.2140 297.3918 -16.5782 13.8036 559038.9516 -1.0818 -1.2494 PRESSURE: 553200 -31.1386 86.3407 -3.47097 86.3412 -314.591 91.4261 -3.47024 91.4275 -282.073 GPRESSURE: 553200 8.03704 117.317 27.4464 46.9492 -302.182 87.3719 45.2804 113.747 -226.131 PRESSAVG: 553200 -12.0859 -3.20738 29.852 -3.20737 37.422 27.1947 29.8519 27.1947 -26.9572 GPRESSAVG: 553200 -12.1412 -3.5023 30.4344 -4.21316 38.6968 27.4785 28.6913 26.5105 -27.9666 TIMING: 553200 CPU: 1606.38, 0.0028976/step Wall: 1606.38, 0.0028976/step, 3.57918 hours remaining, 206.261719 MB of memory in use. ENERGY: 553200 772.6269 2119.4481 2013.3159 102.1050 -206272.6100 17730.8711 0.0000 0.0000 34242.1305 -149292.1125 299.0450 -183534.2430 -149200.5908 298.3861 -209.2676 -173.4252 560696.5954 -0.5404 -0.4703 PRESSURE: 553400 147.479 160.507 -103.937 160.508 -35.4686 -170.385 -103.936 -170.385 121.27 GPRESSURE: 553400 144.705 216.202 -133.035 183.089 40.58 -140.834 -66.3656 -275.858 146.442 PRESSAVG: 553400 -19.606 8.40442 -21.8259 8.40446 -45.3513 -0.262734 -21.826 -0.262577 52.1259 GPRESSAVG: 553400 -20.1402 7.86279 -21.4536 9.18762 -45.5226 1.4784 -21.5823 -1.86671 53.484 TIMING: 553400 CPU: 1606.96, 0.00290052/step Wall: 1606.96, 0.00290052/step, 3.58262 hours remaining, 206.261719 MB of memory in use. ENERGY: 553400 762.8366 2046.1484 1959.1040 110.1408 -206461.8903 18000.0062 0.0000 0.0000 34153.6603 -149429.9940 298.2724 -183583.6544 -149333.3756 298.3674 77.7600 110.5755 558697.7363 -4.2771 -4.0596 PRESSURE: 553600 135.502 6.29615 -57.0306 6.29607 13.5608 58.956 -57.032 58.9577 149.776 GPRESSURE: 553600 146.766 25.8649 -106.927 -10.5473 83.8911 89.9477 -35.3314 78.7312 154.909 PRESSAVG: 553600 20.4046 24.4846 -21.1491 24.4845 -24.6113 27.2828 -21.1492 27.2829 45.1067 GPRESSAVG: 553600 20.866 25.1711 -21.3064 25.2931 -24.4281 24.4503 -20.3444 28.7988 44.811 TIMING: 553600 CPU: 1607.54, 0.00289996/step Wall: 1607.54, 0.00289996/step, 3.58177 hours remaining, 206.261719 MB of memory in use. ENERGY: 553600 775.7072 2113.8226 1986.2087 104.0887 -206442.4306 18031.5367 0.0000 0.0000 34028.2827 -149402.7840 297.1775 -183431.0667 -149311.7595 298.2551 99.6130 128.5221 558148.4529 13.6333 13.7496 PRESSURE: 553800 -130.748 -11.1583 68.4167 -11.1601 159.076 -68.9941 68.4172 -68.9942 70.3134 GPRESSURE: 553800 -129.441 -38.8156 49.0819 -60.9972 152.834 21.4203 31.0021 -139.426 167.931 PRESSAVG: 553800 -31.7551 -2.79811 -16.7493 -2.79807 -28.7942 23.6059 -16.7493 23.6058 30.7405 GPRESSAVG: 553800 -32.83 -2.66836 -18.0483 -3.33542 -28.5156 25.9068 -16.0342 23.2402 31.4826 TIMING: 553800 CPU: 1608.12, 0.00290305/step Wall: 1608.12, 0.00290304/step, 3.58542 hours remaining, 206.261719 MB of memory in use. ENERGY: 553800 753.9159 2086.6631 1965.8504 105.0561 -206888.2274 18138.2538 0.0000 0.0000 34201.2082 -149637.2800 298.6877 -183838.4881 -149540.5871 297.6946 32.8804 63.7745 557652.2150 -9.9362 -9.9544 PRESSURE: 554000 -293.734 -58.1263 130.426 -58.1263 -213.021 49.4564 130.425 49.4569 -264.651 GPRESSURE: 554000 -266.689 -2.06702 33.3456 -28.3393 -188.694 84.5164 155.161 34.5038 -219.008 PRESSAVG: 554000 -8.48573 -44.7721 -55.7521 -44.7721 25.5184 -37.3888 -55.7521 -37.3886 39.5523 GPRESSAVG: 554000 -6.96911 -43.7974 -54.7408 -44.9108 23.8395 -37.6879 -58.1985 -38.1796 39.4524 TIMING: 554000 CPU: 1608.7, 0.00289139/step Wall: 1608.7, 0.00289139/step, 3.57087 hours remaining, 206.261719 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: 554000 739.4876 2126.3566 1973.2935 115.2684 -206200.7842 17465.1211 0.0000 0.0000 34139.1238 -149642.1332 298.1455 -183781.2570 -149547.6229 297.9133 -257.1352 -224.7966 559092.4191 18.8617 18.7743 PRESSURE: 554200 63.9202 16.6028 102.014 16.6026 45.2938 224.901 102.013 224.901 228.931 GPRESSURE: 554200 44.4081 -71.505 164.416 5.96252 80.1103 284.223 33.3423 200.951 314.324 PRESSAVG: 554200 -5.62825 -10.0442 -22.9965 -10.0441 70.3382 -7.43026 -22.9966 -7.43026 -16.2961 GPRESSAVG: 554200 -6.14456 -12.473 -21.9682 -9.80477 71.0099 -7.72219 -20.7936 -7.90968 -16.123 TIMING: 554200 CPU: 1609.28, 0.00288502/step Wall: 1609.28, 0.00288502/step, 3.56284 hours remaining, 206.261719 MB of memory in use. ENERGY: 554200 758.1192 2083.4688 1949.1094 120.0269 -207096.7138 18341.7609 0.0000 0.0000 34013.6122 -149830.6163 297.0493 -183844.2285 -149732.5499 297.7131 112.7149 146.2808 558999.1480 16.1379 16.2475 PRESSURE: 554400 280.22 -28.536 76.9235 -28.5369 104.454 20.9966 76.9227 20.9963 108.465 GPRESSURE: 554400 280.611 -21.3518 22.4824 -82.9178 157.474 26.6844 41.3849 42.7993 146.425 PRESSAVG: 554400 -77.5656 9.88382 4.29399 9.88373 19.7309 8.91482 4.29413 8.9148 20.705 GPRESSAVG: 554400 -77.7098 9.88579 3.51337 9.83101 19.8932 7.20765 2.43477 11.3798 21.1444 TIMING: 554400 CPU: 1609.86, 0.00289158/step Wall: 1609.86, 0.00289158/step, 3.57078 hours remaining, 206.261719 MB of memory in use. ENERGY: 554400 716.5118 2109.9468 1985.3068 125.9603 -206833.9791 18083.5262 0.0000 0.0000 34157.4277 -149655.2995 298.3053 -183812.7272 -149557.7202 297.8269 164.3795 194.8367 556832.5838 -12.3766 -12.2240 PRESSURE: 554600 13.1449 30.3872 66.4478 30.3881 -224.411 9.24327 66.4469 9.2442 -64.4234 GPRESSURE: 554600 65.4309 28.3854 55.641 40.9487 -206.325 -18.3362 94.853 -7.57726 -28.3863 PRESSAVG: 554600 24.0573 41.4218 14.081 41.4218 -3.81706 17.3442 14.081 17.3442 44.0198 GPRESSAVG: 554600 25.4053 42.5684 13.5363 41.5623 -4.34775 18.496 13.8407 17.4613 43.2242 TIMING: 554600 CPU: 1610.43, 0.00287654/step Wall: 1610.43, 0.00287654/step, 3.55205 hours remaining, 206.261719 MB of memory in use. ENERGY: 554600 757.3836 2092.3430 1982.5996 106.1442 -206412.7268 17781.4184 0.0000 0.0000 34081.5022 -149611.3358 297.6422 -183692.8380 -149514.6560 298.1416 -91.8965 -56.4269 558162.1404 21.4200 21.4273 PRESSURE: 554800 173.985 193.755 9.13116 193.755 87.0075 -13.0311 9.13026 -13.03 -120.137 GPRESSURE: 554800 186.698 123.78 -34.9255 282.474 195.275 -81.0314 9.73365 -3.25688 -153.312 PRESSAVG: 554800 39.101 47.9255 15.3411 47.9255 -10.5076 -44.6814 15.3411 -44.6815 -43.6599 GPRESSAVG: 554800 38.1139 47.4462 16.5563 48.7791 -9.65239 -44.8284 15.7371 -45.5253 -43.2712 TIMING: 554800 CPU: 1611.01, 0.00290118/step Wall: 1611.01, 0.00290118/step, 3.58231 hours remaining, 206.328125 MB of memory in use. ENERGY: 554800 733.9166 2101.6148 1982.7464 127.8376 -207256.2097 18198.1319 0.0000 0.0000 34416.4767 -149695.4857 300.5677 -184111.9625 -149598.0179 298.5649 46.9517 76.2204 557874.0863 -5.0221 -4.9366 PRESSURE: 555000 30.1918 161.884 175.7 161.883 -134.818 -106.487 175.701 -106.487 -77.2596 GPRESSURE: 555000 67.0484 86.9293 208.21 218.968 -80.9387 28.6565 75.2657 -158.671 -77.6685 PRESSAVG: 555000 33.8543 0.744224 4.33185 0.744179 24.5558 -16.826 4.33181 -16.8259 -108.908 GPRESSAVG: 555000 35.2465 -0.512846 1.4557 1.89121 24.295 -17.0187 5.49846 -15.5874 -109.314 TIMING: 555000 CPU: 1611.59, 0.00287805/step Wall: 1611.59, 0.00287805/step, 3.55359 hours remaining, 206.328125 MB of memory in use. ENERGY: 555000 754.3392 2094.7372 1995.9544 111.1460 -206506.2031 17751.4261 0.0000 0.0000 34320.7507 -149477.8495 299.7317 -183798.6003 -149388.7275 298.6745 -60.6285 -30.5196 557693.8820 -16.8326 -16.5907 PRESSURE: 555200 241.653 -93.007 84.2498 -93.0071 28.5868 -134.851 84.2488 -134.849 -66.939 GPRESSURE: 555200 249.114 -21.4204 75.5821 -165.976 77.2964 -164.884 100.364 -175.171 -18.7984 PRESSAVG: 555200 20.0652 -1.31359 11.1706 -1.31366 79.4836 3.41039 11.1705 3.41036 -75.2741 GPRESSAVG: 555200 19.1014 -0.503311 13.0729 -5.95011 78.9166 2.2829 9.93367 2.18247 -73.6801 TIMING: 555200 CPU: 1612.16, 0.0028806/step Wall: 1612.16, 0.0028806/step, 3.55658 hours remaining, 206.328125 MB of memory in use. ENERGY: 555200 755.7097 2157.7401 1999.9070 113.0855 -206585.2544 18106.9124 0.0000 0.0000 34207.6141 -149244.2856 298.7436 -183451.8998 -149149.0195 298.9733 67.7669 102.5375 558020.7597 8.0916 8.1126 PRESSURE: 555400 -96.3579 84.6286 -92.3719 84.6295 -57.045 25.6507 -92.3725 25.6495 137.97 GPRESSURE: 555400 -77.3522 69.7933 -107.759 23.4438 24.9846 28.4875 -119.568 35.4465 131.487 PRESSAVG: 555400 22.5024 -5.26344 -12.6154 -5.26343 41.351 -16.0349 -12.6153 -16.0348 -87.3346 GPRESSAVG: 555400 22.4706 -3.57065 -12.1879 -2.72979 42.438 -13.1424 -12.9088 -16.3695 -88.2959 TIMING: 555400 CPU: 1612.74, 0.00288529/step Wall: 1612.74, 0.00288529/step, 3.56221 hours remaining, 206.328125 MB of memory in use. ENERGY: 555400 746.0041 2100.2774 1984.1133 118.0867 -206195.1261 17782.9867 0.0000 0.0000 34208.3893 -149255.2685 298.7504 -183463.6579 -149157.1435 299.5967 -5.1443 26.3730 555698.9200 -7.8270 -7.7958 PRESSURE: 555600 -105.222 122.367 122.6 122.367 231.742 -26.7467 122.6 -26.7456 103.587 GPRESSURE: 555600 -8.10428 96.6938 84.7412 120.9 205.714 -117.618 130.659 18.8388 121.698 PRESSAVG: 555600 -13.8646 59.3395 14.1895 59.3395 56.2498 11.2805 14.1894 11.2805 -20.3526 GPRESSAVG: 555600 -13.2142 58.3051 13.1567 60.6768 56.4012 10.0182 14.5115 9.8343 -20.6162 TIMING: 555600 CPU: 1613.32, 0.00288068/step Wall: 1613.32, 0.00288068/step, 3.55636 hours remaining, 206.328125 MB of memory in use. ENERGY: 555600 738.1648 2141.1741 1961.3673 120.8194 -206242.9778 17911.4828 0.0000 0.0000 34050.1672 -149319.8023 297.3686 -183369.9695 -149217.1235 299.1216 76.7022 106.4361 557541.7474 7.3442 7.5236 PRESSURE: 555800 -76.9878 -36.5 -64.0789 -36.4991 -10.4337 -64.9304 -64.0786 -64.932 45.6402 GPRESSURE: 555800 -43.1315 -21.3274 2.74211 -89.6877 5.933 -52.9508 -76.9533 -169.328 96.9788 PRESSAVG: 555800 21.1636 -34.7098 27.837 -34.7098 -18.8342 -45.0958 27.837 -45.0957 -30.5458 GPRESSAVG: 555800 21.5016 -35.7045 29.2557 -35.2462 -20.2796 -44.5438 26.4357 -44.3077 -28.9656 TIMING: 555800 CPU: 1613.89, 0.00288198/step Wall: 1613.89, 0.00288198/step, 3.5578 hours remaining, 206.328125 MB of memory in use. ENERGY: 555800 735.0945 2063.6028 1990.8854 95.4457 -206386.7985 17875.9918 0.0000 0.0000 34139.1529 -149486.6254 298.1457 -183625.7783 -149389.6154 297.2982 -13.9271 19.9268 559039.3411 -9.4055 -9.2478 PRESSURE: 556000 -265.557 11.0918 76.5353 11.0915 112.077 -71.4716 76.5343 -71.4722 3.88111 GPRESSURE: 556000 -202.962 -33.1393 41.3062 68.6226 87.4497 -3.16997 52.0024 -28.2957 79.8159 PRESSAVG: 556000 -61.6188 17.0583 59.1124 17.0582 35.1173 -25.823 59.1124 -25.8231 34.41 GPRESSAVG: 556000 -61.3194 18.8218 58.1479 17.3666 35.9612 -25.9902 59.9123 -25.7851 33.5462 TIMING: 556000 CPU: 1614.48, 0.002916/step Wall: 1614.48, 0.002916/step, 3.59964 hours remaining, 206.328125 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: 556000 741.2155 2091.5153 1980.1597 99.6660 -206324.2624 17874.1413 0.0000 0.0000 34157.8124 -149379.7523 298.3087 -183537.5648 -149281.1420 298.0810 -49.8665 -11.8989 559026.5751 2.6362 2.7293 PRESSURE: 556200 -177.563 33.4015 -20.9209 33.3999 -467.779 147.022 -20.9221 147.021 -91.8692 GPRESSURE: 556200 -119.259 -12.4287 -10.264 59.2215 -414.728 213.434 -49.5665 33.0809 -88.9581 PRESSAVG: 556200 -65.4222 -9.89203 -26.8051 -9.89209 41.4077 -45.223 -26.8051 -45.2231 32.8232 GPRESSAVG: 556200 -65.0887 -8.19601 -27.7007 -11.18 42.4573 -45.9242 -24.7221 -46.5032 31.5528 TIMING: 556200 CPU: 1615.06, 0.00289474/step Wall: 1615.06, 0.00289474/step, 3.57323 hours remaining, 206.328125 MB of memory in use. ENERGY: 556200 801.1503 2064.2607 1982.7285 109.0079 -206090.9599 17599.6105 0.0000 0.0000 34115.3908 -149418.8112 297.9382 -183534.2021 -149324.6237 297.9129 -245.7370 -207.6482 556787.7943 2.9362 2.9738 LDB: ============= START OF LOAD BALANCING ============== 1618.52 LDB: ============== END OF LOAD BALANCING =============== 1618.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1618.52 LDB: ============= START OF LOAD BALANCING ============== 1618.81 LDB: Largest compute 4826 load 0.026348 is 22.4% of average load 0.117535 LDB: Average compute 0.001723 is 1.5% of average load 0.117535 LDB: TIME 1618.82 LOAD: AVG 0.117535 MAX 0.179931 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.73 MB LDB: TIME 1618.82 LOAD: AVG 0.117535 MAX 0.179931 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: TIME 1618.82 LOAD: AVG 0.117535 MAX 0.179931 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: ============== END OF LOAD BALANCING =============== 1618.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1618.82 PRESSURE: 556400 -119.405 -178.671 11.328 -178.671 159.466 -12.1422 11.3278 -12.1439 237.153 GPRESSURE: 556400 -113.24 -126.553 -28.9521 -248.299 218.674 -7.45507 -19.9161 -72.6545 269.693 PRESSAVG: 556400 -27.6915 42.0524 -65.6889 42.0524 46.0943 -62.6016 -65.6888 -62.6017 14.1376 GPRESSAVG: 556400 -28.2154 41.1512 -66.4131 41.1916 46.1527 -61.7427 -65.851 -62.8542 14.6934 TIMING: 556400 CPU: 1615.65, 0.00296151/step Wall: 1615.65, 0.00296151/step, 3.65549 hours remaining, 204.769531 MB of memory in use. ENERGY: 556400 699.0060 2053.5750 1961.3983 107.9668 -206504.3640 18014.9285 0.0000 0.0000 34285.2111 -149382.2784 299.4213 -183667.4894 -149285.1422 299.2920 92.4047 125.0421 556243.7024 10.8468 10.8769 PRESSURE: 556600 -39.321 119.764 -44.6754 119.764 -29.4124 59.2098 -44.6746 59.2104 4.6954 GPRESSURE: 556600 -75.0574 131.383 -73.4539 95.1639 30.6518 35.396 -5.75173 -5.11721 76.5534 PRESSAVG: 556600 -31.396 30.7126 -8.95537 30.7126 16.5738 -21.9804 -8.95541 -21.9805 11.3718 GPRESSAVG: 556600 -32.8049 30.2271 -5.48382 31.4751 16.5665 -24.1893 -11.2912 -21.9624 13.0886 TIMING: 556600 CPU: 1616.23, 0.0028947/step Wall: 1616.23, 0.00289471/step, 3.57287 hours remaining, 204.769531 MB of memory in use. ENERGY: 556600 776.0409 2105.4151 1980.9578 118.9280 -206871.0763 18118.4381 0.0000 0.0000 34266.1039 -149505.1924 299.2544 -183771.2963 -149410.1670 298.8003 -21.3460 10.7159 557413.2254 -1.1501 -1.0499 PRESSURE: 556800 10.4288 -106.815 11.1446 -106.814 -66.0282 49.4784 11.1439 49.4788 59.4794 GPRESSURE: 556800 94.2722 -51.5324 -50.7986 -62.0192 -48.5282 56.4137 28.1834 59.4197 58.1622 PRESSAVG: 556800 60.9007 13.3394 -1.50392 13.3394 -39.5105 -51.1555 -1.50404 -51.1555 -3.4286 GPRESSAVG: 556800 61.0776 14.9733 -4.30055 11.7433 -39.2618 -48.9874 0.40589 -50.3783 -4.2069 TIMING: 556800 CPU: 1616.81, 0.00291094/step Wall: 1616.81, 0.00291094/step, 3.59274 hours remaining, 205.035156 MB of memory in use. ENERGY: 556800 734.8226 2115.2994 1975.2760 121.6122 -206354.5426 17772.2630 0.0000 0.0000 34135.5780 -149499.6914 298.1145 -183635.2694 -149411.7218 299.2077 1.2933 34.6354 557218.3789 5.9872 5.8696 PRESSURE: 557000 -64.3955 20.0766 20.325 20.0765 -142.876 31.7164 20.3245 31.7143 -17.2111 GPRESSURE: 557000 -18.427 39.6469 51.9672 11.5202 -58.7676 -11.5351 55.3543 44.232 -44.2889 PRESSAVG: 557000 -31.0317 -36.1881 -48.8319 -36.1882 14.0817 -22.4958 -48.832 -22.4959 64.8691 GPRESSAVG: 557000 -29.4839 -37.0817 -48.4552 -36.05 14.3464 -23.2012 -47.3568 -23.1952 63.0966 TIMING: 557000 CPU: 1617.39, 0.00290064/step Wall: 1617.39, 0.00290064/step, 3.57987 hours remaining, 205.269531 MB of memory in use. ENERGY: 557000 729.1796 2104.4351 1990.4993 111.8383 -206337.2363 17843.2723 0.0000 0.0000 34090.7761 -149467.2356 297.7232 -183558.0117 -149362.5963 298.7312 -74.8276 -40.4945 557954.2879 15.9730 15.9864 PRESSURE: 557200 -273.331 -19.234 -23.1384 -19.2329 -102.342 3.59349 -23.1389 3.59363 157.323 GPRESSURE: 557200 -190.061 -110.77 -91.9861 35.69 -129.387 -26.2046 4.53444 14.1781 173.018 PRESSAVG: 557200 2.67941 14.0776 -63.2119 14.0777 -16.7977 19.0476 -63.2119 19.0475 20.926 GPRESSAVG: 557200 3.11213 12.3851 -64.5375 16.0061 -17.8829 18.6242 -64.3372 19.5168 21.7045 TIMING: 557200 CPU: 1617.97, 0.0029027/step Wall: 1617.97, 0.0029027/step, 3.58225 hours remaining, 205.269531 MB of memory in use. ENERGY: 557200 703.7765 2109.4041 1970.9954 122.6821 -206353.1242 17676.8657 0.0000 0.0000 34215.1573 -149554.2432 298.8095 -183769.4004 -149459.8590 297.8519 -72.7834 -48.8101 557635.5223 2.2692 2.3112 PRESSURE: 557400 -129.755 -11.0967 19.8889 -11.0961 -320.428 -155.444 19.8893 -155.444 -199.775 GPRESSURE: 557400 -43.1552 6.68166 44.017 -29.9507 -297.336 -81.796 50.0633 -133.301 -212.672 PRESSAVG: 557400 -29.8901 -15.7331 -52.3598 -15.733 -7.40086 -34.1187 -52.3597 -34.1188 7.74543 GPRESSAVG: 557400 -30.8937 -16.3868 -52.5276 -17.0441 -6.9803 -34.1438 -53.437 -33.2877 8.53822 TIMING: 557400 CPU: 1618.55, 0.00291677/step Wall: 1618.55, 0.00291677/step, 3.59946 hours remaining, 205.269531 MB of memory in use. ENERGY: 557400 737.7814 2110.8545 1940.5955 114.0508 -205636.1449 17257.4319 0.0000 0.0000 34045.3468 -149430.0840 297.3265 -183475.4308 -149334.1205 298.0105 -216.6526 -184.3878 558181.7916 -9.8485 -9.7786 PRESSURE: 557600 -67.4425 30.3999 100.099 30.3995 -122.348 -80.4812 100.099 -80.4821 -104.351 GPRESSURE: 557600 -35.6068 22.1356 79.4543 20.102 -144.889 -80.0428 123.599 -108.653 -19.049 PRESSAVG: 557600 -27.1538 1.20163 13.4114 1.20173 93.9424 -54.3532 13.4114 -54.3532 -53.5123 GPRESSAVG: 557600 -27.3688 4.29517 13.5901 2.31015 93.8886 -53.2931 13.8992 -55.2685 -53.0849 TIMING: 557600 CPU: 1619.13, 0.00288797/step Wall: 1619.13, 0.00288797/step, 3.56375 hours remaining, 205.269531 MB of memory in use. ENERGY: 557600 739.9989 2117.2854 1961.5891 119.5530 -205940.7588 17644.5730 0.0000 0.0000 34095.0263 -149262.7331 297.7603 -183357.7594 -149175.7087 297.5038 -98.0473 -66.5149 558760.9612 4.4254 4.4783 PRESSURE: 557800 -7.66214 -6.48193 184.25 -6.48213 165.273 3.51157 184.25 3.51061 22.4379 GPRESSURE: 557800 77.9622 -13.8633 173.748 17.0504 106.254 4.59641 170.823 22.7536 98.0205 PRESSAVG: 557800 -23.9129 -15.7144 30.3925 -15.7144 15.4805 24.0382 30.3924 24.0382 31.604 GPRESSAVG: 557800 -24.353 -17.8193 31.3308 -17.69 16.0298 23.4016 31.119 23.3009 30.8281 TIMING: 557800 CPU: 1619.71, 0.00290614/step Wall: 1619.71, 0.00290615/step, 3.58602 hours remaining, 205.269531 MB of memory in use. ENERGY: 557800 746.9409 2027.0424 1997.8203 116.5528 -206498.2784 17996.2596 0.0000 0.0000 34184.5127 -149429.1498 298.5419 -183613.6624 -149328.1387 298.8826 60.0162 94.0789 557759.3800 7.7239 7.5016 PRESSURE: 558000 32.8785 -51.9449 93.944 -51.9455 -222.23 -27.0044 93.9445 -27.0054 18.2436 GPRESSURE: 558000 66.3417 38.0566 87.987 -41.8931 -160.017 -112.38 32.1933 -48.6388 25.1653 PRESSAVG: 558000 28.0468 -28.2582 41.0431 -28.2582 10.415 -37.9188 41.0431 -37.9188 -31.8996 GPRESSAVG: 558000 28.0628 -28.4454 39.382 -26.9539 9.94839 -37.0133 40.7376 -36.1016 -31.4772 TIMING: 558000 CPU: 1620.29, 0.00290937/step Wall: 1620.29, 0.00290937/step, 3.58985 hours remaining, 205.269531 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: 558000 725.8428 2073.5226 2017.5450 98.7060 -206188.2486 17726.0107 0.0000 0.0000 34203.6552 -149342.9663 298.7090 -183546.6215 -149250.4090 298.0086 -57.0361 -22.8366 558542.7805 2.1874 2.1780 PRESSURE: 558200 -181.879 18.2415 -26.8484 18.2412 -316.715 53.7727 -26.8476 53.7729 37.7739 GPRESSURE: 558200 -182.586 -15.663 -23.5525 53.5043 -288.571 138.49 -66.9385 24.5518 102.75 PRESSAVG: 558200 21.8105 -12.9508 -15.5174 -12.9507 -71.7457 -14.1579 -15.5174 -14.1579 28.0918 GPRESSAVG: 558200 21.7225 -12.5397 -14.8151 -12.5437 -70.7616 -15.6333 -15.0437 -13.6406 27.3802 TIMING: 558200 CPU: 1620.88, 0.00291576/step Wall: 1620.88, 0.00291576/step, 3.59757 hours remaining, 205.269531 MB of memory in use. ENERGY: 558200 791.7080 2083.6049 1981.8860 111.5096 -206022.5519 17586.3136 0.0000 0.0000 34156.8072 -149310.7226 298.2999 -183467.5299 -149214.3367 298.4434 -153.6065 -122.8025 559456.5476 -7.2811 -7.2196 PRESSURE: 558400 133.272 -90.8673 18.506 -90.8665 -109.965 -29.5379 18.5064 -29.5382 188.486 GPRESSURE: 558400 98.3211 -101.478 39.535 -125.67 -2.68272 -57.4486 1.46356 5.27594 212.953 PRESSAVG: 558400 -14.6458 2.06461 16.7619 2.06459 31.7644 8.97826 16.7619 8.97812 -14.3964 GPRESSAVG: 558400 -13.006 2.59177 18.2963 1.45298 31.3254 9.51063 14.5826 9.29614 -15.4843 TIMING: 558400 CPU: 1621.46, 0.00291344/step Wall: 1621.46, 0.00291345/step, 3.59454 hours remaining, 205.269531 MB of memory in use. ENERGY: 558400 739.4881 2181.2911 1987.1032 105.1363 -206523.6010 17948.2032 0.0000 0.0000 34253.7586 -149308.6206 299.1466 -183562.3792 -149217.2121 298.7600 70.5975 102.8639 556643.0811 0.9074 0.9451 PRESSURE: 558600 -357.18 101.448 -99.4445 101.447 -249.462 7.24731 -99.4444 7.24758 -112.52 GPRESSURE: 558600 -301.485 158.732 -32.2175 -21.4368 -221.925 44.2565 -149.169 8.5321 -104.183 PRESSAVG: 558600 -5.10031 -33.53 -10.7068 -33.53 -8.40059 -16.3239 -10.7068 -16.3239 7.51469 GPRESSAVG: 558600 -5.50767 -33.9222 -12.6207 -34.3872 -9.49196 -16.4372 -9.24951 -16.5862 9.35388 TIMING: 558600 CPU: 1622.04, 0.00291092/step Wall: 1622.04, 0.00291092/step, 3.59127 hours remaining, 205.269531 MB of memory in use. ENERGY: 558600 736.4755 2124.6276 2002.7179 115.3119 -205923.1522 17520.1791 0.0000 0.0000 34121.4567 -149302.3835 297.9912 -183423.8402 -149212.0353 299.5512 -239.7207 -209.1977 557305.4514 -1.9954 -1.8819 PRESSURE: 558800 -34.4133 3.35747 -14.9219 3.35702 -40.1276 -27.1758 -14.9233 -27.1754 -247.188 GPRESSURE: 558800 6.06975 50.1739 -35.6721 0.828919 -31.0384 -20.5218 -67.5353 -64.7511 -212.794 PRESSAVG: 558800 71.3753 -6.92869 -9.18219 -6.92867 -33.4177 13.1073 -9.18227 13.1074 -49.1573 GPRESSAVG: 558800 71.9044 -6.24908 -8.07513 -6.40502 -33.18 13.7559 -10.0307 12.0481 -50.115 TIMING: 558800 CPU: 1622.62, 0.00289265/step Wall: 1622.62, 0.00289265/step, 3.56857 hours remaining, 205.269531 MB of memory in use. ENERGY: 558800 776.9903 2073.8635 2011.4755 119.8143 -206118.0414 17672.4337 0.0000 0.0000 34248.7813 -149214.6827 299.1031 -183463.4640 -149119.7552 299.8803 -107.2430 -79.2541 556895.8861 -3.7332 -3.7969 PRESSURE: 559000 -9.19705 -64.4003 -97.6767 -64.4005 88.7663 34.4994 -97.6771 34.4977 -76.1446 GPRESSURE: 559000 31.0962 -100.896 -90.48 0.208704 123.853 30.4473 -119.729 12.8883 -62.8025 PRESSAVG: 559000 -34.1656 -24.6249 -57.4082 -24.625 57.656 0.833777 -57.4083 0.833896 -43.266 GPRESSAVG: 559000 -35.1004 -24.9927 -58.2756 -23.5979 57.1288 0.77977 -56.0234 -1.50974 -42.0776 TIMING: 559000 CPU: 1623.2, 0.00290627/step Wall: 1623.2, 0.00290627/step, 3.58521 hours remaining, 205.269531 MB of memory in use. ENERGY: 559000 782.8818 2075.3401 1990.0979 104.5437 -206399.3423 17766.7234 0.0000 0.0000 34350.8657 -149328.8896 299.9947 -183679.7553 -149236.6292 299.8601 1.1415 30.7156 555968.3086 -6.5919 -6.6831 PRESSURE: 559200 13.0153 -158.622 46.4926 -158.623 277.164 -153.602 46.4922 -153.603 -81.4767 GPRESSURE: 559200 69.1464 -81.0446 54.5318 -129.982 290.735 -63.6709 86.226 -146.615 -42.3082 PRESSAVG: 559200 -30.6424 -56.314 40.7229 -56.3141 14.3477 -17.4257 40.7228 -17.4258 -0.845931 GPRESSAVG: 559200 -30.98 -57.464 41.5504 -57.3962 15.0252 -13.5619 39.499 -18.4329 -1.2643 TIMING: 559200 CPU: 1623.78, 0.00290301/step Wall: 1623.78, 0.00290301/step, 3.58103 hours remaining, 205.269531 MB of memory in use. ENERGY: 559200 728.3984 2114.4839 1975.9848 115.1153 -206131.6979 17766.4336 0.0000 0.0000 34108.6987 -149322.5832 297.8797 -183431.2819 -149214.7663 298.7115 69.5674 105.8578 557049.0982 -5.7136 -5.7397 PRESSURE: 559400 -33.761 -91.5592 37.2995 -91.5585 105.44 6.85614 37.2983 6.85527 -159.133 GPRESSURE: 559400 -12.0299 -55.2224 104.985 -57.6416 166.476 -24.1819 51.3968 11.4581 -143.23 PRESSAVG: 559400 6.58869 9.96734 -50.8402 9.96734 55.3812 -27.2332 -50.8402 -27.2332 -48.9981 GPRESSAVG: 559400 7.71167 9.10309 -51.9229 11.3193 54.8708 -28.67 -50.9644 -26.198 -49.3183 TIMING: 559400 CPU: 1624.37, 0.00291554/step Wall: 1624.37, 0.00291554/step, 3.59632 hours remaining, 205.269531 MB of memory in use. ENERGY: 559400 736.7753 2105.7865 1979.4970 109.0426 -206170.1277 17812.8893 0.0000 0.0000 34072.3782 -149353.7588 297.5626 -183426.1370 -149254.3399 297.7399 -29.1515 3.7388 558206.9203 4.3240 4.4214 PRESSURE: 559600 -35.3547 33.5263 -156.78 33.5252 -207.019 -64.9991 -156.778 -65 -176.391 GPRESSURE: 559600 -34.8877 -47.0975 -96.1839 63.5669 -143.914 -35.317 -148.561 -27.7889 -149.045 PRESSAVG: 559600 -6.46978 -51.9817 -56.8497 -51.9816 37.0112 -3.25972 -56.8498 -3.25967 -20.8261 GPRESSAVG: 559600 -7.52001 -51.8716 -57.0503 -52.4163 38.5021 -6.00018 -55.4013 -3.14186 -21.3657 TIMING: 559600 CPU: 1624.95, 0.0029153/step Wall: 1624.95, 0.0029153/step, 3.59586 hours remaining, 205.269531 MB of memory in use. ENERGY: 559600 722.7193 2150.6420 1967.0105 122.2255 -205941.5432 17531.8507 0.0000 0.0000 34051.1709 -149395.9242 297.3773 -183447.0952 -149300.3463 297.9812 -139.5883 -109.2823 558962.8309 3.2384 3.2055 PRESSURE: 559800 93.5057 63.3284 -40.7209 63.3281 131.033 -94.3853 -40.7209 -94.3839 -288.657 GPRESSURE: 559800 126.646 73.2554 103.613 71.7755 173.493 21.8873 -183.751 -160.486 -263.403 PRESSAVG: 559800 87.3783 33.1426 -5.80288 33.1426 19.4346 -46.7569 -5.80296 -46.7569 -82.8201 GPRESSAVG: 559800 87.0142 35.2496 -4.55931 32.3954 18.5894 -45.2178 -7.71074 -46.9155 -81.745 TIMING: 559800 CPU: 1625.53, 0.00289939/step Wall: 1625.53, 0.00289939/step, 3.57608 hours remaining, 205.269531 MB of memory in use. ENERGY: 559800 747.2194 2115.0881 1983.2007 119.3937 -206476.9030 18072.4808 0.0000 0.0000 34155.8907 -149283.6297 298.2919 -183439.5204 -149189.1909 298.7008 -21.3726 12.2456 557579.5490 7.9976 7.9529 PRESSURE: 560000 -240.67 -10.0285 96.141 -10.0282 194.649 112.098 96.1423 112.099 33.1169 GPRESSURE: 560000 -216.233 -102.163 235.104 50.9868 270.513 143.758 44.8821 108.988 30.4418 PRESSAVG: 560000 -16.092 3.82724 43.8763 3.82722 16.9027 -0.629967 43.8763 -0.629868 -15.4343 GPRESSAVG: 560000 -17.3434 2.86874 41.9444 5.52434 16.7012 -2.53966 45.1876 1.61198 -14.0982 TIMING: 560000 CPU: 1626.11, 0.00289416/step Wall: 1626.11, 0.00289416/step, 3.56946 hours remaining, 205.269531 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: 560000 749.0468 2070.1366 1977.7271 95.6256 -206324.5694 17833.2806 0.0000 0.0000 34446.8473 -149151.9054 300.8329 -183598.7527 -149054.9564 298.6741 -4.3014 28.2407 557471.7449 -4.8745 -4.9134 PRESSURE: 560200 72.861 -83.5163 16.5306 -83.5142 -209.399 -118.991 16.5308 -118.991 -111.22 GPRESSURE: 560200 104.291 -167.68 24.6536 -41.9266 -230.029 -87.1014 -17.8151 -110.228 -31.1141 PRESSAVG: 560200 5.11771 -44.6897 3.89295 -44.6898 0.441058 -11.5256 3.89296 -11.5255 8.82693 GPRESSAVG: 560200 6.84727 -41.918 4.67835 -48.1081 -0.167969 -9.26553 3.97129 -13.5375 7.80707 TIMING: 560200 CPU: 1626.69, 0.00291458/step Wall: 1626.69, 0.00291458/step, 3.59449 hours remaining, 205.269531 MB of memory in use. ENERGY: 560200 741.8033 2062.3118 1956.1271 104.2518 -206254.7588 17748.8737 0.0000 0.0000 34327.3585 -149314.0325 299.7894 -183641.3910 -149213.6724 299.3840 -82.5860 -52.2840 558540.5905 4.7952 4.8288 LDB: ============= START OF LOAD BALANCING ============== 1630.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1630.16 LDB: =============== DONE WITH MIGRATION ================ 1630.16 LDB: ============= START OF LOAD BALANCING ============== 1630.45 LDB: Largest compute 4827 load 0.025642 is 21.8% of average load 0.117585 LDB: Average compute 0.001719 is 1.5% of average load 0.117585 LDB: TIME 1630.45 LOAD: AVG 0.117585 MAX 0.178961 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.184 MB LDB: TIME 1630.45 LOAD: AVG 0.117585 MAX 0.178961 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.387 MB LDB: TIME 1630.45 LOAD: AVG 0.117585 MAX 0.178961 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.387 MB LDB: ============== END OF LOAD BALANCING =============== 1630.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1630.46 PRESSURE: 560400 31.1857 -23.3644 -85.1698 -23.3635 -217.571 -110.672 -85.1706 -110.673 6.55174 GPRESSURE: 560400 16.1854 -117.161 14.5849 -15.5625 -149.069 -39.4299 -143.271 -133.214 54.354 PRESSAVG: 560400 50.1292 7.59564 -76.3761 7.59567 -59.1524 28.2305 -76.376 28.2304 1.18981 GPRESSAVG: 560400 49.5302 4.11424 -74.6434 9.70622 -57.9082 28.4692 -75.9408 29.0206 0.953955 TIMING: 560400 CPU: 1627.28, 0.00296308/step Wall: 1627.28, 0.00296308/step, 3.65414 hours remaining, 206.726562 MB of memory in use. ENERGY: 560400 787.9103 2068.3408 1971.2336 97.2366 -206235.7476 17923.7825 0.0000 0.0000 34216.1740 -149171.0699 298.8184 -183387.2439 -149074.2142 298.8252 -59.9445 -26.1766 557519.8396 -2.6111 -2.4747 PRESSURE: 560600 333.623 81.1291 78.7776 81.1291 -5.78347 48.0027 78.7772 48.0012 83.9407 GPRESSURE: 560600 341.721 44.0091 -5.26418 49.6846 17.0007 40.3482 155.924 67.36 156.15 PRESSAVG: 560600 -18.2816 74.2066 26.8999 74.2065 59.8918 22.1755 26.8999 22.1754 -25.7893 GPRESSAVG: 560600 -17.6967 74.5368 24.3456 74.1909 59.2529 22.0199 26.4658 23.4669 -25.2517 TIMING: 560600 CPU: 1627.87, 0.00291978/step Wall: 1627.87, 0.00291978/step, 3.60057 hours remaining, 206.796875 MB of memory in use. ENERGY: 560600 734.8315 2088.6623 1967.4498 117.0616 -206130.1473 17844.2247 0.0000 0.0000 34208.1694 -149169.7481 298.7485 -183377.9175 -149074.4161 299.3770 137.2600 171.6239 556167.9857 5.2737 5.4348 PRESSURE: 560800 -251.053 147.231 -50.1138 147.23 -251.807 -71.6828 -50.1136 -71.6844 -13.6388 GPRESSURE: 560800 -212.328 156.846 -63.7871 202.474 -217.776 -84.2029 -144.419 11.4877 10.3624 PRESSAVG: 560800 -6.05266 15.8632 8.2524 15.8633 -26.2767 -26.0743 8.25234 -26.0743 58.6968 GPRESSAVG: 560800 -6.15269 13.8923 11.176 15.1915 -26.2699 -26.8444 7.35704 -27.5055 58.4889 TIMING: 560800 CPU: 1628.45, 0.00291468/step Wall: 1628.45, 0.00291468/step, 3.59412 hours remaining, 206.796875 MB of memory in use. ENERGY: 560800 739.9088 2096.1363 1975.6752 109.0254 -206085.5084 17590.0716 0.0000 0.0000 34400.1963 -149174.4949 300.4255 -183574.6912 -149072.9648 298.9774 -172.1663 -139.9140 558027.9885 8.7892 8.6888 PRESSURE: 561000 -159.586 46.8931 -14.697 46.8911 56.7818 4.16007 -14.6967 4.15997 -235.899 GPRESSURE: 561000 -137.792 56.7053 41.7396 116.044 68.5362 -36.94 33.2087 111.565 -171.486 PRESSAVG: 561000 -1.70528 1.9402 -22.4508 1.94008 14.9327 -8.24521 -22.4507 -8.24514 40.2248 GPRESSAVG: 561000 -0.800917 3.02243 -24.4571 3.48267 13.7795 -9.49555 -20.3722 -6.72479 40.4592 TIMING: 561000 CPU: 1629.03, 0.00292351/step Wall: 1629.03, 0.00292351/step, 3.60486 hours remaining, 206.796875 MB of memory in use. ENERGY: 561000 713.5270 2124.7901 1954.7215 116.7156 -206238.0086 17692.4152 0.0000 0.0000 34381.4792 -149254.3600 300.2620 -183635.8393 -149150.0832 299.4614 -112.9012 -80.2475 557353.9864 17.8174 17.8126 PRESSURE: 561200 58.7171 108.331 76.4549 108.333 56.4267 125.061 76.4545 125.062 -62.4492 GPRESSURE: 561200 96.3703 19.5061 147.874 214.006 93.3061 137.79 27.3796 101.523 -38.5446 PRESSAVG: 561200 -42.1843 11.3397 -1.6616 11.3397 -45.8202 -8.90184 -1.66154 -8.90183 39.6942 GPRESSAVG: 561200 -42.5207 12.2844 -4.02347 7.73109 -45.7704 -6.58414 -0.614238 -9.02426 39.8559 TIMING: 561200 CPU: 1629.62, 0.00291227/step Wall: 1629.62, 0.00291227/step, 3.59082 hours remaining, 206.855469 MB of memory in use. ENERGY: 561200 724.7970 2112.7987 1938.0340 115.5264 -206119.6142 17708.5526 0.0000 0.0000 34050.4835 -149469.4220 297.3713 -183519.9055 -149365.0259 299.5603 17.5649 50.3773 556435.5753 -16.1035 -16.1451 PRESSURE: 561400 15.8712 69.3276 -43.4655 69.3279 347.177 3.20536 -43.4647 3.20432 49.6983 GPRESSURE: 561400 26.1957 -12.4445 -32 107.887 383.801 -42.6489 -78.5027 85.7452 98.1384 PRESSAVG: 561400 23.4364 -3.96 24.4283 -3.95998 -29.2168 28.2776 24.4283 28.2775 34.2948 GPRESSAVG: 561400 23.3156 -4.16153 27.9649 -2.85079 -27.9441 26.0292 22.0592 28.3489 33.185 TIMING: 561400 CPU: 1630.2, 0.00291973/step Wall: 1630.2, 0.00291973/step, 3.59986 hours remaining, 206.855469 MB of memory in use. ENERGY: 561400 710.7184 2124.0977 1952.7861 115.1254 -206651.5082 17990.8615 0.0000 0.0000 34418.9030 -149339.0161 300.5888 -183757.9191 -149238.3522 298.6069 137.5820 169.3784 556040.3668 9.5048 9.5188 PRESSURE: 561600 67.3727 200.156 37.1378 200.158 197.524 -41.4108 37.1379 -41.4101 232.784 GPRESSURE: 561600 79.0505 193.903 60.4566 207.687 254.501 -0.513968 -42.0726 -53.4852 274.293 PRESSAVG: 561600 -46.7435 21.4638 5.67654 21.4639 20.4436 -19.8381 5.67652 -19.8381 29.6039 GPRESSAVG: 561600 -47.3294 20.1539 2.8845 22.447 20.0414 -17.6179 7.61971 -20.4567 31.0594 TIMING: 561600 CPU: 1630.78, 0.00290919/step Wall: 1630.78, 0.00290919/step, 3.58671 hours remaining, 206.855469 MB of memory in use. ENERGY: 561600 752.6212 2109.0761 1961.6236 108.6013 -206283.8681 17929.5192 0.0000 0.0000 34241.2184 -149181.2084 299.0371 -183422.4268 -149083.1326 298.5359 165.8939 202.6150 556585.4715 1.1013 1.2571 PRESSURE: 561800 -116.544 -33.2787 164.429 -33.2797 -10.7645 75.9201 164.43 75.9194 -15.2033 GPRESSURE: 561800 -88.4499 -17.0503 231.772 -54.7707 16.0594 71.7325 102.97 59.7499 35.914 PRESSAVG: 561800 -67.5005 7.58129 -11.3 7.58147 -23.8898 -14.6478 -11.3 -14.6479 69.5185 GPRESSAVG: 561800 -68.3194 8.27327 -8.14287 6.4263 -23.588 -16.4115 -13.203 -12.8774 69.6766 TIMING: 561800 CPU: 1631.36, 0.00290322/step Wall: 1631.36, 0.00290322/step, 3.57919 hours remaining, 206.855469 MB of memory in use. ENERGY: 561800 731.5951 2099.8940 1940.9225 111.6645 -206253.6611 17771.9739 0.0000 0.0000 34326.1264 -149271.4848 299.7786 -183597.6112 -149178.5981 298.8037 -47.5038 -12.1588 557481.7118 -7.2906 -7.4103 PRESSURE: 562000 -288.484 -37.6996 -104.719 -37.6979 52.9354 31.7238 -104.718 31.7255 -104.689 GPRESSURE: 562000 -271.302 -60.945 -110.345 25.2122 87.2742 -12.8889 -133.367 32.7204 -58.8464 PRESSAVG: 562000 -41.091 -12.4445 -11.79 -12.4445 1.57791 -10.8976 -11.79 -10.8976 64.9029 GPRESSAVG: 562000 -39.5957 -12.8114 -12.4066 -11.2026 0.957127 -11.2749 -13.2895 -10.8505 63.4509 TIMING: 562000 CPU: 1631.94, 0.00289966/step Wall: 1631.94, 0.00289966/step, 3.57463 hours remaining, 206.855469 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: 562000 742.2452 2101.6340 1996.9722 132.1577 -206030.4798 17698.2746 0.0000 0.0000 34185.6701 -149173.5259 298.5520 -183359.1960 -149071.5430 299.5260 -113.4127 -80.9581 558953.4752 8.4633 8.2708 PRESSURE: 562200 23.8317 -39.6987 99.1965 -39.6987 -139.504 77.7101 99.197 77.7099 -230.661 GPRESSURE: 562200 14.4239 9.53144 80.2165 -133.636 -100.672 188.043 61.8659 97.5134 -169.008 PRESSAVG: 562200 -84.5955 7.27899 -32.755 7.27898 56.1259 -22.6225 -32.755 -22.6227 32.4246 GPRESSAVG: 562200 -85.9213 6.92541 -32.4588 7.8227 56.1923 -20.4196 -31.3098 -24.8293 33.4093 TIMING: 562200 CPU: 1632.52, 0.00289759/step Wall: 1632.52, 0.00289759/step, 3.57192 hours remaining, 206.855469 MB of memory in use. ENERGY: 562200 778.2690 2066.6199 1987.3385 110.4619 -206320.6806 17764.9401 0.0000 0.0000 34181.7016 -149431.3496 298.5173 -183613.0512 -149331.5225 299.1872 -115.4442 -85.0853 557922.4147 1.3183 1.2267 PRESSURE: 562400 210.758 -36.0263 -94.4544 -36.0257 -33.4895 48.1946 -94.4528 48.1945 295.843 GPRESSURE: 562400 261.428 -0.723302 -99.8621 -18.4981 -14.1223 -4.75972 -112.257 66.3732 328.674 PRESSAVG: 562400 -76.2772 -37.6275 50.7054 -37.6275 79.4984 2.23459 50.7054 2.23469 -36.5433 GPRESSAVG: 562400 -76.0733 -37.4855 50.0425 -38.4814 78.3941 0.0114544 52.1873 4.09302 -36.5328 TIMING: 562400 CPU: 1633.1, 0.0029099/step Wall: 1633.1, 0.0029099/step, 3.58693 hours remaining, 206.855469 MB of memory in use. ENERGY: 562400 732.7977 2040.4302 1982.1145 121.1242 -206574.4659 18150.6121 0.0000 0.0000 34239.5551 -149307.8320 299.0226 -183547.3871 -149215.3899 298.6068 157.7036 191.9930 556880.6582 -11.1074 -11.4040 PRESSURE: 562600 80.8375 174.931 -146.433 174.931 -65.943 -7.28748 -146.432 -7.28805 -149.174 GPRESSURE: 562600 141.273 200.263 -246.717 148.685 -100.866 -20.1991 -47.432 -41.4707 -78.3262 PRESSAVG: 562600 3.48 61.2484 -34.5632 61.2484 -13.6224 -25.1084 -34.5632 -25.1085 40.0632 GPRESSAVG: 562600 4.79163 62.4202 -34.175 60.6118 -12.8217 -24.7515 -36.5742 -25.0545 37.9897 TIMING: 562600 CPU: 1633.69, 0.00291605/step Wall: 1633.69, 0.00291605/step, 3.59435 hours remaining, 206.855469 MB of memory in use. ENERGY: 562600 750.2878 2143.8283 1969.3933 112.2036 -206076.3530 17585.5029 0.0000 0.0000 34284.6521 -149230.4849 299.4164 -183515.1370 -149134.2379 298.9563 -44.7599 -12.6399 556372.7886 9.9736 9.9866 PRESSURE: 562800 179.52 12.4254 -51.1945 12.425 -155.696 -108.996 -51.1944 -108.995 372.703 GPRESSURE: 562800 224.158 38.8592 -36.0998 4.6398 -101.426 -115.897 -20.5053 -56.2421 360.682 PRESSAVG: 562800 69.2035 33.3804 25.8498 33.3804 -8.24294 -3.86985 25.8498 -3.86985 -80.2008 GPRESSAVG: 562800 69.1595 31.4496 27.7917 33.3507 -8.54724 -3.42935 27.5287 -4.22481 -79.7199 TIMING: 562800 CPU: 1634.27, 0.00289908/step Wall: 1634.27, 0.00289908/step, 3.57328 hours remaining, 206.855469 MB of memory in use. ENERGY: 562800 766.6791 2123.1663 1991.1413 111.8442 -206448.7830 17953.5314 0.0000 0.0000 34124.5146 -149377.9061 298.0179 -183502.4207 -149284.3046 298.2266 132.1754 161.1381 557693.4301 -6.4134 -6.3692 PRESSURE: 563000 -207.988 -163.407 -75.6161 -163.405 -130.586 85.2009 -75.6157 85.2009 28.1019 GPRESSURE: 563000 -171.406 -62.8925 -98.0243 -200.055 -64.2844 105.883 25.3045 -1.80554 17.487 PRESSAVG: 563000 56.2373 36.9502 -56.2 36.9503 -75.8469 -4.01282 -56.2 -4.01286 15.1845 GPRESSAVG: 563000 56.2957 39.0305 -57.7833 38.6128 -74.8928 -3.42036 -57.543 -6.20458 14.4918 TIMING: 563000 CPU: 1634.84, 0.00288472/step Wall: 1634.84, 0.00288472/step, 3.55541 hours remaining, 206.855469 MB of memory in use. ENERGY: 563000 764.4222 2128.0654 1961.2563 111.8892 -206376.4539 17734.6746 0.0000 0.0000 34229.5662 -149446.5800 298.9353 -183676.1461 -149346.9141 299.3419 -103.4909 -72.7345 558047.3466 -1.4750 -1.3684 PRESSURE: 563200 -262.325 185.228 20.6336 185.229 208.373 -148.218 20.6337 -148.219 -189.742 GPRESSURE: 563200 -234.1 167.005 38.1675 126.169 192.369 -160.753 37.9449 -110.111 -118.369 PRESSAVG: 563200 -18.0768 51.0458 13.1096 51.0457 64.302 13.0279 13.1096 13.0278 -17.9634 GPRESSAVG: 563200 -18.8174 50.333 11.4182 48.9293 63.8703 11.841 12.2334 13.5353 -16.7503 TIMING: 563200 CPU: 1635.42, 0.00289919/step Wall: 1635.42, 0.00289919/step, 3.57309 hours remaining, 206.992188 MB of memory in use. ENERGY: 563200 726.5396 2101.3156 1998.1421 119.9266 -206332.8139 17835.4146 0.0000 0.0000 34228.6715 -149322.8038 298.9275 -183551.4753 -149225.1313 298.4502 -81.2314 -53.3667 557604.5167 9.4206 9.4342 PRESSURE: 563400 18.8969 13.8643 5.9686 13.865 287.223 -17.75 5.96734 -17.7496 97.0183 GPRESSURE: 563400 -14.4683 -7.46627 -17.5488 -12.5471 336.039 9.01506 -24.6312 -14.9664 182.238 PRESSAVG: 563400 -103.73 -41.5908 63.4491 -41.5908 72.278 -23.7876 63.4491 -23.7876 41.3619 GPRESSAVG: 563400 -103.41 -42.9145 65.9497 -39.5455 71.2697 -23.6535 65.1399 -20.9399 41.545 TIMING: 563400 CPU: 1636.01, 0.00291842/step Wall: 1636.01, 0.00291842/step, 3.59663 hours remaining, 206.992188 MB of memory in use. ENERGY: 563400 716.6737 2070.3665 1974.2014 109.4825 -206747.8892 18034.4984 0.0000 0.0000 34331.0485 -149511.6182 299.8216 -183842.6667 -149414.3320 298.8711 134.3794 167.9362 555332.9313 3.3033 3.1349 PRESSURE: 563600 -116.126 -164.976 29.1156 -164.977 320.626 152.231 29.1149 152.231 -147.03 GPRESSURE: 563600 -66.989 -175.787 86.7241 -74.1652 290.696 132.395 52.0304 130.843 -83.3838 PRESSAVG: 563600 9.54764 2.47946 -4.76369 2.47941 24.0824 71.2183 -4.76362 71.2182 34.4081 GPRESSAVG: 563600 8.18069 3.64856 -6.73362 1.53724 25.3773 72.6579 -4.26295 70.2561 33.7627 TIMING: 563600 CPU: 1636.59, 0.00290379/step Wall: 1636.59, 0.00290379/step, 3.57844 hours remaining, 206.992188 MB of memory in use. ENERGY: 563600 757.0371 2150.5407 1972.2534 106.4439 -206813.4492 17994.5076 0.0000 0.0000 34245.4689 -149587.1978 299.0742 -183832.6666 -149494.1847 298.7640 19.1568 46.7745 555619.9125 22.6794 22.4402 PRESSURE: 563800 -75.1888 6.66233 -43.7316 6.66335 -39.3827 45.4855 -43.7324 45.487 -28.6727 GPRESSURE: 563800 -11.6039 21.4436 -18.4971 -32.0869 -22.0469 55.5531 -104.743 43.0854 -15.7983 PRESSAVG: 563800 14.726 -26.0928 4.83103 -26.0928 79.4435 49.1826 4.83106 49.1824 -90.9042 GPRESSAVG: 563800 16.1412 -25.081 7.01282 -26.2104 78.1201 48.6892 2.88443 49.5422 -91.1169 TIMING: 563800 CPU: 1637.17, 0.00291159/step Wall: 1637.17, 0.00291159/step, 3.58788 hours remaining, 206.992188 MB of memory in use. ENERGY: 563800 783.7201 2134.3194 1970.9707 108.3707 -206270.5167 17890.9626 0.0000 0.0000 34002.0750 -149380.0981 296.9486 -183382.1731 -149279.5658 297.7501 -47.7480 -16.4830 558179.2145 1.0884 1.0481 PRESSURE: 564000 -82.0899 18.3042 -6.83261 18.3052 -215.03 -36.3856 -6.8312 -36.3853 -110.249 GPRESSURE: 564000 -8.80789 36.1989 -42.8668 38.076 -191.632 -70.1319 -50.5893 -39.0787 -108.901 PRESSAVG: 564000 45.9527 -10.1471 52.3126 -10.1471 10.7288 52.1526 52.3126 52.1527 -53.0957 GPRESSAVG: 564000 45.2309 -11.8203 51.4644 -8.89881 10.1642 52.4957 54.4006 50.6512 -51.1828 TIMING: 564000 CPU: 1637.75, 0.00291062/step Wall: 1637.75, 0.00291062/step, 3.58653 hours remaining, 206.992188 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: 564000 785.3975 2070.8121 1973.6664 115.8775 -206517.1790 17804.2429 0.0000 0.0000 34368.8234 -149398.3591 300.1515 -183767.1826 -149298.4575 298.4956 -135.7894 -103.1138 557450.4247 1.1952 1.4041 PRESSURE: 564200 -318.842 44.3061 6.54013 44.3059 -172.63 164.575 6.53946 164.574 -229.208 GPRESSURE: 564200 -311.64 144.223 -78.1496 52.6407 -177.287 168.641 27.96 117.056 -134.764 PRESSAVG: 564200 -34.5988 26.268 -4.395 26.2679 30.004 -10.9686 -4.39504 -10.9687 57.9357 GPRESSAVG: 564200 -33.4818 26.919 -5.47892 24.9965 29.5784 -11.8181 -6.67986 -9.968 57.2041 TIMING: 564200 CPU: 1638.34, 0.00291787/step Wall: 1638.34, 0.00291787/step, 3.59531 hours remaining, 206.992188 MB of memory in use. ENERGY: 564200 796.2414 2107.6926 1968.8835 110.9621 -206420.1726 17908.4461 0.0000 0.0000 33873.6700 -149654.2770 295.8272 -183527.9470 -149555.6990 298.6104 -240.2266 -207.8971 558973.9898 17.7803 17.7669 LDB: ============= START OF LOAD BALANCING ============== 1641.8 LDB: ============== END OF LOAD BALANCING =============== 1641.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1641.8 LDB: ============= START OF LOAD BALANCING ============== 1642.1 LDB: Largest compute 4855 load 0.026437 is 22.5% of average load 0.117587 LDB: Average compute 0.001724 is 1.5% of average load 0.117587 LDB: TIME 1642.1 LOAD: AVG 0.117587 MAX 0.178923 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 202.73 MB LDB: TIME 1642.1 LOAD: AVG 0.117587 MAX 0.178923 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.934 MB LDB: TIME 1642.1 LOAD: AVG 0.117587 MAX 0.178923 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 202.934 MB LDB: ============== END OF LOAD BALANCING =============== 1642.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1642.11 PRESSURE: 564400 -521.841 -40.9064 128.205 -40.9058 96.0146 -69.5927 128.204 -69.5926 -289.294 GPRESSURE: 564400 -485.85 -40.7431 168.788 -47.457 159.679 -86.5669 119.112 1.47659 -300.085 PRESSAVG: 564400 -26.1147 38.6995 -11.6671 38.6995 -8.0686 -14.9386 -11.6672 -14.9386 14.8044 GPRESSAVG: 564400 -27.0262 35.7966 -11.5172 41.8096 -7.24095 -14.208 -9.50031 -15.8618 14.6477 TIMING: 564400 CPU: 1638.93, 0.00296492/step Wall: 1638.93, 0.00296492/step, 3.65311 hours remaining, 204.460938 MB of memory in use. ENERGY: 564400 740.5375 2097.2271 1990.8765 101.3342 -206347.6773 17611.7709 0.0000 0.0000 34129.8967 -149676.0343 298.0649 -183805.9311 -149579.5485 298.2097 -238.3734 -208.7522 558005.3911 -6.4596 -6.5398 PRESSURE: 564600 33.2184 20.4982 20.8082 20.4989 199.602 7.16352 20.8075 7.16446 169.157 GPRESSURE: 564600 98.8173 33.7395 8.08288 24.0535 129.938 -25.5236 57.6964 5.08433 253.859 PRESSAVG: 564600 -41.3855 20.1047 40.0856 20.1047 5.62013 -24.9542 40.0856 -24.9541 6.43624 GPRESSAVG: 564600 -41.6546 21.4613 39.486 18.1481 5.80528 -26.8777 39.0717 -23.2003 6.63943 TIMING: 564600 CPU: 1639.52, 0.0029258/step Wall: 1639.52, 0.0029258/step, 3.60475 hours remaining, 204.679688 MB of memory in use. ENERGY: 564600 739.2428 2110.4089 1972.1163 121.3737 -206333.5858 17902.8053 0.0000 0.0000 34028.4181 -149459.2206 297.1786 -183487.6387 -149360.8618 298.1667 133.9924 160.8713 555750.8340 -9.7764 -9.7366 PRESSURE: 564800 -139.595 -21.6365 183.872 -21.6372 -155.824 -66.8893 183.872 -66.8895 -114.621 GPRESSURE: 564800 -105.106 -28.3346 179.603 28.7785 -134.548 30.4832 174.484 -66.6024 -79.1453 PRESSAVG: 564800 24.2805 -4.68295 32.454 -4.68294 65.0971 -8.94944 32.4539 -8.9495 -35.3071 GPRESSAVG: 564800 24.3076 -3.12509 34.0286 -4.56658 65.8741 -9.53294 31.5839 -10.5038 -35.3547 TIMING: 564800 CPU: 1640.1, 0.00289959/step Wall: 1640.1, 0.00289959/step, 3.5723 hours remaining, 204.679688 MB of memory in use. ENERGY: 564800 722.8759 2111.3395 1966.2135 112.7821 -205995.9626 17501.1152 0.0000 0.0000 34179.2629 -149402.3735 298.4960 -183581.6364 -149312.1262 298.4012 -136.6800 -106.2664 558002.0280 18.0235 18.2757 PRESSURE: 565000 -161.437 106.254 65.5838 106.256 -563.823 -63.3678 65.584 -63.3665 -119.398 GPRESSURE: 565000 -198.223 174.086 17.5175 56.9566 -442.309 55.5703 -28.4841 -77.9661 -103.582 PRESSAVG: 565000 -3.2364 53.0906 15.3535 53.0906 -20.1343 -51.8866 15.3534 -51.8865 -13.4815 GPRESSAVG: 565000 -2.56859 52.9562 11.6094 52.8965 -20.0738 -49.7701 17.5373 -50.3152 -13.4214 TIMING: 565000 CPU: 1640.68, 0.00292307/step Wall: 1640.68, 0.00292307/step, 3.60105 hours remaining, 204.679688 MB of memory in use. ENERGY: 565000 740.2971 2094.3109 1969.0199 107.9417 -205836.1917 17385.3051 0.0000 0.0000 34034.8181 -149504.4989 297.2345 -183539.3169 -149410.0590 298.4918 -281.5527 -248.0381 559354.9907 -12.2841 -12.0213 PRESSURE: 565200 31.1523 -77.0574 -184.36 -77.0576 15.984 112.674 -184.358 112.674 -59.865 GPRESSURE: 565200 80.9258 -58.6041 -255.849 -38.4252 78.4718 173.587 -68.8485 127.155 -70.1193 PRESSAVG: 565200 -33.7614 19.5536 -20.1418 19.5535 18.7877 48.0713 -20.1418 48.0712 14.2459 GPRESSAVG: 565200 -33.8777 19.3116 -18.5948 19.4404 18.6052 45.9597 -20.2319 49.5057 14.76 TIMING: 565200 CPU: 1641.26, 0.00290451/step Wall: 1641.26, 0.00290451/step, 3.57803 hours remaining, 204.679688 MB of memory in use. ENERGY: 565200 737.9223 2105.4727 1975.9679 106.4186 -206710.8509 18018.0329 0.0000 0.0000 34353.1513 -149413.8852 300.0146 -183767.0365 -149322.6753 299.1364 -4.2429 29.7594 556894.1238 -0.2426 -0.1708 PRESSURE: 565400 61.9743 -215.692 6.64769 -215.694 107.849 3.76727 6.64738 3.76777 22.8409 GPRESSURE: 565400 115.268 -187.196 -23.5987 -234.616 162.865 11.7607 8.76624 -43.1487 22.9808 PRESSAVG: 565400 3.61083 -19.2187 -1.34953 -19.2187 19.4817 -14.9512 -1.34953 -14.9511 11.8623 GPRESSAVG: 565400 3.17615 -17.9683 -1.42163 -19.8248 19.0734 -13.8182 -0.607291 -17.9172 12.57 TIMING: 565400 CPU: 1641.84, 0.00290979/step Wall: 1641.84, 0.00290979/step, 3.58437 hours remaining, 204.679688 MB of memory in use. ENERGY: 565400 750.6725 2053.6501 1997.7372 114.9834 -206449.6469 17908.2156 0.0000 0.0000 34057.5918 -149566.7963 297.4334 -183624.3881 -149479.1116 297.8757 64.2213 100.3711 556559.3316 11.6516 11.6065 PRESSURE: 565600 -20.3978 -4.7062 -49.3689 -4.7062 -30.6622 116.99 -49.3679 116.99 -189.659 GPRESSURE: 565600 48.6937 -82.7344 50.1731 44.8889 -13.7057 150.562 -51.9385 60.0886 -183.433 PRESSAVG: 565600 26.1632 -15.2466 -47.1419 -15.2465 -0.835473 53.9625 -47.142 53.9625 -41.2379 GPRESSAVG: 565600 27.0093 -15.9366 -45.8232 -13.761 -1.73375 53.9536 -49.4332 55.7772 -41.5338 TIMING: 565600 CPU: 1642.42, 0.00289627/step Wall: 1642.42, 0.00289627/step, 3.56756 hours remaining, 204.679688 MB of memory in use. ENERGY: 565600 795.3036 2023.0902 1979.6877 113.6057 -206348.6485 17830.0122 0.0000 0.0000 34076.9812 -149529.9679 297.6028 -183606.9491 -149435.4141 298.1387 -80.2396 -49.4816 557887.9904 -5.3034 -5.4194 PRESSURE: 565800 -34.6276 -104.015 -145.908 -104.015 -350.825 205.008 -145.906 205.009 -22.0645 GPRESSURE: 565800 7.9383 -11.4698 -124.949 -90.2198 -300.799 127.221 -129.975 217.854 -0.0435412 PRESSAVG: 565800 56.4779 18.6802 3.84531 18.6801 62.173 21.2334 3.84529 21.2334 -106.228 GPRESSAVG: 565800 55.3777 19.2738 4.58848 17.2332 64.432 21.0004 4.00496 20.9548 -106.81 TIMING: 565800 CPU: 1643, 0.00289843/step Wall: 1643, 0.00289843/step, 3.57006 hours remaining, 204.679688 MB of memory in use. ENERGY: 565800 754.8016 2046.2414 1953.0661 114.6356 -206540.1394 17854.7325 0.0000 0.0000 34134.1799 -149682.4823 298.1023 -183816.6622 -149583.3612 297.8688 -135.8391 -97.6346 557515.7869 4.1410 4.3331 PRESSURE: 566000 167.498 216.5 78.0889 216.499 86.8416 -10.614 78.0884 -10.615 12.1308 GPRESSURE: 566000 220.135 96.4647 71.4509 283.356 82.9144 -79.6916 158.88 34.1788 53.463 PRESSAVG: 566000 -13.0361 -7.27324 12.2379 -7.27326 -11.8659 18.1603 12.2379 18.1604 11.8057 GPRESSAVG: 566000 -12.1751 -8.74781 11.7846 -5.77023 -13.5301 19.5674 12.7848 16.5409 12.0045 TIMING: 566000 CPU: 1643.58, 0.00291525/step Wall: 1643.58, 0.00291525/step, 3.59062 hours remaining, 204.679688 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: 566000 732.5686 2125.8670 1983.5591 120.7164 -206628.5424 18004.1807 0.0000 0.0000 33976.9914 -149684.6592 296.7295 -183661.6506 -149590.1708 297.6499 88.8235 118.8375 556950.0349 -4.3654 -4.5669 PRESSURE: 566200 -47.0027 29.3089 -4.91244 29.3091 -276.526 -18.9194 -4.91425 -18.9178 -116.965 GPRESSURE: 566200 -0.870318 66.0102 41.7838 131.028 -278.461 -7.82081 -16.1183 -53.9606 -56.1568 PRESSAVG: 566200 4.89906 20.9276 20.0177 20.9276 -40.8862 45.5614 20.0177 45.5615 11.1653 GPRESSAVG: 566200 4.31676 22.3651 19.5037 20.7616 -40.5574 43.8538 20.7987 48.9048 11.4671 TIMING: 566200 CPU: 1644.17, 0.00291779/step Wall: 1644.17, 0.00291779/step, 3.59359 hours remaining, 204.679688 MB of memory in use. ENERGY: 566200 732.4092 2087.6117 1973.0254 110.6118 -206478.1349 17796.6280 0.0000 0.0000 34230.9943 -149546.8546 298.9478 -183777.8489 -149451.4762 298.6923 -146.8312 -111.8293 556768.6745 -8.2739 -8.2578 PRESSURE: 566400 236.331 31.5195 -1.89056 31.5201 -183.416 -0.65083 -1.89082 -0.650052 -272.119 GPRESSURE: 566400 234.43 35.0412 -64.6155 55.7311 -102.879 27.3686 102.326 -13.097 -251.376 PRESSAVG: 566400 20.2997 -58.0423 -31.9228 -58.0423 -69.2528 15.9112 -31.9228 15.9113 16.8396 GPRESSAVG: 566400 20.5843 -58.2836 -29.8296 -59.4268 -68.2515 17.978 -33.0573 12.919 15.3933 TIMING: 566400 CPU: 1644.75, 0.00292444/step Wall: 1644.75, 0.00292444/step, 3.60161 hours remaining, 204.679688 MB of memory in use. ENERGY: 566400 716.4915 2046.4737 1994.2415 120.4662 -206455.6838 17830.3527 0.0000 0.0000 34222.3021 -149525.3560 298.8719 -183747.6581 -149421.0329 298.7896 -73.0678 -39.9417 558409.2051 -10.7045 -10.7580 PRESSURE: 566600 12.8739 138.057 40.3583 138.057 -243.024 171.143 40.3583 171.143 -54.0291 GPRESSURE: 566600 23.3225 81.6944 97.3419 131.041 -123.778 164.754 -34.6152 118.259 -95.6288 PRESSAVG: 566600 76.4796 59.2538 5.36757 59.2538 -47.4828 35.8543 5.36755 35.8543 -58.981 GPRESSAVG: 566600 76.5551 59.2009 4.39528 59.7797 -47.4017 33.3132 6.94773 38.4095 -58.5933 TIMING: 566600 CPU: 1645.33, 0.0029051/step Wall: 1645.33, 0.0029051/step, 3.57763 hours remaining, 204.679688 MB of memory in use. ENERGY: 566600 707.2401 2040.8090 2001.6873 110.2039 -205906.4018 17543.3919 0.0000 0.0000 34082.6397 -149420.4299 297.6522 -183503.0696 -149319.8454 298.9453 -94.7265 -65.3613 558358.8412 -9.9948 -9.8133 PRESSURE: 566800 49.7469 43.203 61.8931 43.203 -213.091 -78.448 61.8922 -78.4489 125.222 GPRESSURE: 566800 114.183 45.987 22.0344 29.8997 -145.557 -42.9101 108.77 6.68757 89.2457 PRESSAVG: 566800 19.219 8.86495 14.6201 8.86486 4.72046 35.6517 14.62 35.6516 -67.8825 GPRESSAVG: 566800 19.047 7.8239 13.8076 9.0277 5.26772 39.209 14.8414 33.8246 -68.7467 TIMING: 566800 CPU: 1645.92, 0.00290487/step Wall: 1645.92, 0.00290487/step, 3.57719 hours remaining, 204.679688 MB of memory in use. ENERGY: 566800 732.7789 2095.1142 1975.1375 109.0690 -206231.9525 17821.7254 0.0000 0.0000 34212.1383 -149285.9892 298.7831 -183498.1275 -149195.6321 299.0671 -12.7075 19.2906 557643.8652 -14.6477 -14.8107 PRESSURE: 567000 -71.4069 146.8 174.372 146.799 -23.8505 -27.1249 174.372 -27.1261 194.7 GPRESSURE: 567000 -14.6898 87.3896 189.145 99.881 -9.00363 -79.2271 150.686 -45.2881 204.888 PRESSAVG: 567000 12.9485 -10.7463 51.2843 -10.7464 -46.4665 32.575 51.2843 32.575 76.4497 GPRESSAVG: 567000 14.6343 -8.71317 51.9083 -11.6453 -48.0468 30.5164 51.2199 32.826 76.351 TIMING: 567000 CPU: 1646.49, 0.00289672/step Wall: 1646.49, 0.00289672/step, 3.56699 hours remaining, 204.679688 MB of memory in use. ENERGY: 567000 765.7726 2105.7450 1981.2696 125.2653 -206267.4575 17876.8516 0.0000 0.0000 34151.8828 -149260.6707 298.2569 -183412.5535 -149167.5491 298.9762 33.1476 60.3983 556833.9407 14.3106 14.3129 PRESSURE: 567200 -125.813 1.01391 -73.327 1.01253 -11.614 86.8303 -73.3258 86.8317 -40.7347 GPRESSURE: 567200 -83.2742 69.4966 -4.33454 -68.3476 -1.91571 85.0308 -113.884 56.711 4.64768 PRESSAVG: 567200 10.5038 8.88301 -2.70823 8.88299 -2.77474 -22.5971 -2.70824 -22.5971 15.5441 GPRESSAVG: 567200 10.2709 8.11924 -2.69272 9.94885 -2.55084 -23.1772 -2.71163 -20.6491 15.6902 TIMING: 567200 CPU: 1647.08, 0.00291117/step Wall: 1647.08, 0.00291117/step, 3.58463 hours remaining, 204.679688 MB of memory in use. ENERGY: 567200 702.9889 2050.5244 1982.9439 112.9550 -205825.3871 17658.4502 0.0000 0.0000 34026.5750 -149290.9496 297.1625 -183317.5247 -149197.6309 299.3049 -59.3872 -26.8474 556765.5537 7.7577 7.8034 PRESSURE: 567400 150.338 -72.5379 -114.322 -72.5391 342.398 25.244 -114.324 25.2425 169.82 GPRESSURE: 567400 194.541 -46.9738 -143.098 -80.2777 380.163 3.28373 -149.174 38.8017 188.699 PRESSAVG: 567400 21.3562 -7.24696 -2.764 -7.24689 -15.9233 9.43481 -2.76403 9.43472 24.0029 GPRESSAVG: 567400 21.7863 -8.95452 -2.60954 -6.01754 -16.4324 9.88204 -6.55056 8.77349 24.6464 TIMING: 567400 CPU: 1647.66, 0.00293132/step Wall: 1647.66, 0.00293132/step, 3.60926 hours remaining, 204.679688 MB of memory in use. ENERGY: 567400 736.5778 2103.7690 1975.1670 112.2093 -206447.6191 18152.8472 0.0000 0.0000 34105.2805 -149261.7682 297.8499 -183367.0487 -149178.3628 298.1300 220.8522 254.4678 556982.7305 9.8120 10.0001 PRESSURE: 567600 389.821 22.8562 -8.44829 22.8561 -123.946 16.0468 -8.44866 16.0449 -13.2575 GPRESSURE: 567600 404.039 -38.5306 28.166 83.8721 -55.9861 -38.0581 -12.5029 36.538 3.20163 PRESSAVG: 567600 22.5215 9.47005 -32.4995 9.46999 -24.2867 59.731 -32.4996 59.731 38.2557 GPRESSAVG: 567600 21.7212 11.7296 -33.6652 9.71619 -23.6424 59.6492 -28.9181 58.1634 38.4318 TIMING: 567600 CPU: 1648.25, 0.00292117/step Wall: 1648.25, 0.00292117/step, 3.5966 hours remaining, 204.679688 MB of memory in use. ENERGY: 567600 688.0233 2095.5544 1979.8232 114.7959 -206212.9013 17882.8878 0.0000 0.0000 34270.1986 -149181.6182 299.2902 -183451.8168 -149083.7916 298.9117 84.2057 117.0848 557556.5167 12.1635 12.1702 PRESSURE: 567800 -517.63 -29.7808 -53.7879 -29.7789 -461.282 82.0867 -53.7876 82.0865 -236.384 GPRESSURE: 567800 -479.081 -96.8109 -50.5592 49.7989 -380.035 118.789 -31.2248 104.593 -251.901 PRESSAVG: 567800 -8.69572 52.3314 -16.0467 52.3313 -21.4582 -11.3683 -16.0468 -11.3682 22.293 GPRESSAVG: 567800 -8.90013 50.6148 -14.7399 52.284 -21.1862 -10.1308 -16.8468 -10.9761 22.6817 TIMING: 567800 CPU: 1648.83, 0.00292394/step Wall: 1648.83, 0.00292394/step, 3.59986 hours remaining, 204.679688 MB of memory in use. ENERGY: 567800 767.7299 2133.4792 1965.4056 109.6977 -205708.6460 17294.6473 0.0000 0.0000 34209.9964 -149227.6899 298.7644 -183437.6863 -149126.6215 298.8268 -405.0988 -370.3390 559941.0158 -2.6203 -2.4682 PRESSURE: 568000 152.957 -37.4054 -85.5509 -37.4055 -81.2718 -18.4178 -85.5517 -18.4177 -165.7 GPRESSURE: 568000 151.798 -99.5378 -53.9414 -50.8113 -53.1852 6.51841 -100.74 -23.1757 -104.217 PRESSAVG: 568000 -46.1832 -30.6512 -43.5807 -30.6511 12.9105 -18.441 -43.5807 -18.4411 25.652 GPRESSAVG: 568000 -45.2245 -31.1514 -40.937 -30.4033 12.541 -17.3168 -45.8321 -19.6185 25.1385 TIMING: 568000 CPU: 1649.41, 0.00291175/step Wall: 1649.41, 0.00291175/step, 3.58469 hours remaining, 204.679688 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: 568000 725.3146 2097.8273 1952.3048 117.4268 -206370.4260 17871.9797 0.0000 0.0000 34195.0988 -149410.4740 298.6343 -183605.5728 -149320.1880 297.8867 -31.3383 -1.8682 557087.6244 -2.5402 -2.5150 PRESSURE: 568200 157.458 30.765 54.1744 30.7652 -166.152 -139.459 54.1728 -139.458 191.541 GPRESSURE: 568200 209.643 -20.023 30.0782 7.33206 -137.139 -144.561 147.221 -127.583 207.29 PRESSAVG: 568200 83.6007 49.9162 -5.86828 49.9162 -25.0572 -40.1121 -5.86825 -40.1121 -48.955 GPRESSAVG: 568200 84.9274 48.3884 -9.00873 49.2544 -26.1924 -43.47 -3.14093 -38.7652 -49.0304 TIMING: 568200 CPU: 1650, 0.00291674/step Wall: 1650, 0.00291674/step, 3.59067 hours remaining, 204.679688 MB of memory in use. ENERGY: 568200 778.1177 2040.4731 1985.6628 116.5681 -206501.1640 17970.6985 0.0000 0.0000 34104.7408 -149504.9029 297.8452 -183609.6437 -149408.2809 297.9133 60.9491 93.2649 557872.0705 3.1962 3.2349 LDB: ============= START OF LOAD BALANCING ============== 1653.46 LDB: ============== END OF LOAD BALANCING =============== 1653.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1653.47 LDB: ============= START OF LOAD BALANCING ============== 1653.76 LDB: Largest compute 4855 load 0.027856 is 23.7% of average load 0.117488 LDB: Average compute 0.001723 is 1.5% of average load 0.117488 LDB: TIME 1653.76 LOAD: AVG 0.117488 MAX 0.178842 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 1653.76 LOAD: AVG 0.117488 MAX 0.178842 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.723 MB LDB: TIME 1653.76 LOAD: AVG 0.117488 MAX 0.178842 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.723 MB LDB: ============== END OF LOAD BALANCING =============== 1653.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1653.77 PRESSURE: 568400 207.451 -44.0406 -144.613 -44.0388 0.55321 58.3619 -144.614 58.3626 88.3711 GPRESSURE: 568400 215.874 -134.164 -65.0579 62.5095 22.5724 63.9189 -122.363 60.5791 153.17 PRESSAVG: 568400 83.5196 -31.4706 16.4437 -31.4706 5.79004 -46.5729 16.4437 -46.5729 -85.9467 GPRESSAVG: 568400 83.1855 -28.2712 17.0309 -32.402 4.4735 -45.0385 16.8851 -47.4072 -84.3647 TIMING: 568400 CPU: 1650.59, 0.00297701/step Wall: 1650.59, 0.00297701/step, 3.6647 hours remaining, 203.156250 MB of memory in use. ENERGY: 568400 764.0661 2105.8943 1968.8214 115.1509 -206708.3049 18101.1537 0.0000 0.0000 34223.4842 -149429.7342 298.8822 -183653.2183 -149342.2684 298.5636 98.7917 130.5387 557920.3001 1.1210 1.0981 PRESSURE: 568600 -203.908 34.8391 -48.3017 34.8384 186.655 0.274362 -48.3021 0.274603 174.703 GPRESSURE: 568600 -175.99 96.8136 46.1837 86.5817 235.223 41.4563 -118.656 -57.0783 189.919 PRESSAVG: 568600 36.4979 7.45335 2.11232 7.45342 -21.7198 37.3414 2.11238 37.3414 17.9422 GPRESSAVG: 568600 36.3338 5.8228 2.43789 9.87973 -19.9437 38.4214 0.83299 37.6324 15.8593 TIMING: 568600 CPU: 1651.18, 0.00293426/step Wall: 1651.18, 0.00293426/step, 3.61192 hours remaining, 203.359375 MB of memory in use. ENERGY: 568600 756.0291 2109.3010 1974.3755 115.1762 -206614.6904 17982.3087 0.0000 0.0000 34262.8544 -149414.6455 299.2260 -183677.4999 -149321.3369 298.8686 52.4832 83.0507 557405.7824 10.9068 10.7498 PRESSURE: 568800 126.355 -103.381 39.8103 -103.379 -84.6968 71.0937 39.8102 71.0929 60.6433 GPRESSURE: 568800 149.67 -16.1173 -3.26596 -148.502 -8.65486 54.7742 -24.4725 93.9286 60.9809 PRESSAVG: 568800 10.1584 21.0407 -24.9407 21.0408 -10.6721 -30.399 -24.9406 -30.3991 -6.65975 GPRESSAVG: 568800 10.1486 23.2932 -25.2374 19.256 -12.0204 -33.0159 -24.6823 -28.8996 -5.92533 TIMING: 568800 CPU: 1651.76, 0.00290501/step Wall: 1651.76, 0.00290501/step, 3.57575 hours remaining, 203.359375 MB of memory in use. ENERGY: 568800 729.2112 2111.4173 1952.2718 105.2211 -206262.9169 17824.8029 0.0000 0.0000 34135.6530 -149404.3396 298.1151 -183539.9927 -149302.5135 299.2079 34.1004 67.3320 557642.4259 -2.3911 -2.5990 PRESSURE: 569000 -118.755 -89.2062 119.642 -89.2064 -42.1199 7.29502 119.643 7.29497 -75.1023 GPRESSURE: 569000 -47.7643 -48.0897 201.271 -27.9477 -73.3772 28.6273 -8.94504 -26.5311 -22.2115 PRESSAVG: 569000 35.5913 -54.2094 28.2122 -54.2094 -36.758 -11.9448 28.2122 -11.9448 9.81211 GPRESSAVG: 569000 33.719 -56.7612 28.615 -54.0813 -35.2674 -10.0173 28.2473 -11.4609 10.1095 TIMING: 569000 CPU: 1652.34, 0.00291712/step Wall: 1652.34, 0.00291712/step, 3.59049 hours remaining, 203.359375 MB of memory in use. ENERGY: 569000 753.9690 2116.3836 1982.0984 117.0713 -206214.7226 17894.3325 0.0000 0.0000 34063.2808 -149287.5869 297.4831 -183350.8678 -149197.9011 299.0611 -78.6592 -47.7843 558276.7773 2.8818 2.8537 PRESSURE: 569200 104.467 61.247 -41.9873 61.2473 -36.0806 116.661 -41.9876 116.662 286.519 GPRESSURE: 569200 150.208 89.5801 -2.32669 42.8024 35.9941 67.3988 -90.5685 31.9748 273.871 PRESSAVG: 569200 38.028 -21.4243 12.1606 -21.4244 -5.97285 -24.1733 12.1607 -24.1734 -26.5393 GPRESSAVG: 569200 39.6847 -20.6898 12.6564 -19.854 -6.70773 -24.895 11.6566 -26.9488 -27.3345 TIMING: 569200 CPU: 1652.92, 0.00288725/step Wall: 1652.92, 0.00288725/step, 3.55357 hours remaining, 203.359375 MB of memory in use. ENERGY: 569200 745.4726 2080.0686 1962.4437 111.7751 -206650.7944 18052.5481 0.0000 0.0000 34391.4977 -149306.9885 300.3495 -183698.4863 -149207.7117 298.7650 118.3020 153.3576 555721.9006 1.8386 1.8808 PRESSURE: 569400 32.3107 -47.3827 -184.259 -47.3842 -131.13 -161.19 -184.259 -161.189 116.924 GPRESSURE: 569400 23.996 -11.034 -230.663 74.5482 -60.468 -122.802 -223.776 -112.306 127.689 PRESSAVG: 569400 -9.34751 16.8027 -11.7113 16.8026 -87.5201 -36.8859 -11.7113 -36.886 78.0538 GPRESSAVG: 569400 -9.48029 16.5638 -9.90561 17.7055 -86.7294 -37.0633 -13.9018 -36.2499 77.5875 TIMING: 569400 CPU: 1653.5, 0.00289092/step Wall: 1653.5, 0.00289092/step, 3.55791 hours remaining, 203.359375 MB of memory in use. ENERGY: 569400 740.5006 2121.9461 1977.4566 117.2412 -206238.9473 17732.3863 0.0000 0.0000 34340.2067 -149209.2099 299.9016 -183549.4166 -149109.7543 299.3416 6.0347 30.4058 556363.0808 -6.2713 -6.2074 PRESSURE: 569600 -22.8074 49.9964 117.408 49.9963 -26.3992 57.6501 117.408 57.6493 -1.45614 GPRESSURE: 569600 12.655 -18.6135 192.916 15.5051 1.62001 104.208 123.499 56.6052 27.7721 PRESSAVG: 569600 8.18247 7.2073 -13.9744 7.20721 -14.6828 -17.9123 -13.9744 -17.9122 1.51196 GPRESSAVG: 569600 8.12924 7.35682 -15.067 4.80454 -15.4229 -16.8952 -12.5231 -16.957 2.36779 TIMING: 569600 CPU: 1654.09, 0.00293676/step Wall: 1654.09, 0.00293676/step, 3.61418 hours remaining, 203.359375 MB of memory in use. ENERGY: 569600 744.3483 2141.8221 1966.2027 111.9497 -206119.4023 17788.9525 0.0000 0.0000 34202.1604 -149163.9667 298.6960 -183366.1271 -149064.5089 299.0840 -16.8876 14.0157 557970.9980 -1.6628 -1.6419 PRESSURE: 569800 63.5502 -208.949 -312.779 -208.948 -388.226 54.132 -312.78 54.1322 -230.98 GPRESSURE: 569800 53.6862 -220.071 -298.42 -231.985 -299.51 61.5935 -235.388 -57.8217 -215.918 PRESSAVG: 569800 -55.4582 0.355499 -44.7929 0.355456 -9.4172 43.7063 -44.7929 43.7063 33.7008 GPRESSAVG: 569800 -56.5933 1.10806 -47.4709 -0.436041 -8.22439 42.1091 -44.1257 43.7209 33.8591 TIMING: 569800 CPU: 1654.67, 0.00291294/step Wall: 1654.67, 0.00291294/step, 3.58469 hours remaining, 203.359375 MB of memory in use. ENERGY: 569800 742.2320 2118.5295 1961.4675 117.6341 -205781.5865 17537.8363 0.0000 0.0000 34045.3116 -149258.5755 297.3262 -183303.8871 -149153.2897 298.5585 -185.2188 -153.9137 559098.5208 -10.3915 -10.3195 PRESSURE: 570000 -346.591 -95.6921 68.0771 -95.6934 -68.6926 -15.0557 68.0768 -15.0563 95.4847 GPRESSURE: 570000 -272.242 -47.5462 113.343 -103.655 -50.0057 -95.2756 -15.8466 -43.0793 104.684 PRESSAVG: 570000 -46.4801 -32.7862 3.14317 -32.7862 -48.4004 4.89557 3.1431 4.89552 79.9328 GPRESSAVG: 570000 -45.4737 -29.9951 5.37176 -33.7301 -49.9602 5.95864 3.43434 5.16819 81.0243 TIMING: 570000 CPU: 1655.25, 0.00290032/step Wall: 1655.25, 0.00290032/step, 3.569 hours remaining, 203.359375 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: 570000 701.5336 2105.9249 1947.8606 109.2308 -205706.7257 17565.7600 0.0000 0.0000 34092.0246 -149184.3913 297.7341 -183276.4159 -149081.7856 298.6545 -106.5995 -72.5210 558618.0294 -4.9826 -4.8032 PRESSURE: 570200 -53.6995 105.56 -89.8045 105.56 -147.45 -0.962008 -89.8041 -0.962929 106.233 GPRESSURE: 570200 -47.2151 88.2443 -22.5437 125.349 -111.207 -69.8082 -95.1471 -3.29628 150.816 PRESSAVG: 570200 -10.9384 -35.3764 -20.0661 -35.3764 -70.5853 -58.1405 -20.066 -58.1406 109.274 GPRESSAVG: 570200 -11.9036 -37.1985 -20.7382 -34.5148 -69.3718 -57.446 -21.508 -59.0693 108.56 TIMING: 570200 CPU: 1655.83, 0.00289868/step Wall: 1655.83, 0.00289868/step, 3.56682 hours remaining, 203.359375 MB of memory in use. ENERGY: 570200 753.6025 2084.2906 1981.7957 100.9046 -206516.2747 17786.4468 0.0000 0.0000 34504.9794 -149304.2550 301.3406 -183809.2345 -149208.9776 298.7044 -31.6389 -2.5353 557189.8489 9.2500 9.0947 PRESSURE: 570400 -10.1593 -25.197 -120.46 -25.1964 -45.2068 -44.2661 -120.46 -44.2658 105.315 GPRESSURE: 570400 25.166 -52.2735 -90.4136 -12.9627 -73.7605 -3.54356 -110.871 -47.921 172.088 PRESSAVG: 570400 37.737 52.8999 18.3458 52.8999 -69.7289 11.8769 18.3458 11.8769 14.2041 GPRESSAVG: 570400 40.0918 52.0912 17.6209 52.7787 -70.8992 11.9704 19.9633 12.3747 12.8458 TIMING: 570400 CPU: 1656.41, 0.00288665/step Wall: 1656.41, 0.00288665/step, 3.55186 hours remaining, 203.359375 MB of memory in use. ENERGY: 570400 715.1150 2118.7438 2008.7885 109.4560 -206562.2561 17932.3905 0.0000 0.0000 34195.8344 -149481.9279 298.6407 -183677.7622 -149384.6908 299.1569 16.6495 41.1645 557701.4839 -5.9293 -5.9872 PRESSURE: 570600 -15.4206 -45.5431 -22.1338 -45.5428 -27.7666 31.1906 -22.1342 31.1906 121.363 GPRESSURE: 570600 0.635074 -22.7472 63.645 -15.1064 43.4263 -33.6175 -15.4897 44.4061 120.574 PRESSAVG: 570600 -22.6369 -20.4757 25.6814 -20.4757 -8.97024 47.9232 25.6814 47.9234 35.3104 GPRESSAVG: 570600 -23.5861 -19.7827 27.3557 -21.3825 -8.56823 46.172 25.6951 48.095 36.5116 TIMING: 570600 CPU: 1656.99, 0.00289769/step Wall: 1656.99, 0.00289769/step, 3.56528 hours remaining, 203.359375 MB of memory in use. ENERGY: 570600 693.8360 2115.1957 1980.0076 139.0988 -206296.2733 17847.6381 0.0000 0.0000 34038.4798 -149482.0174 297.2665 -183520.4972 -149383.3896 298.3324 26.0586 54.8785 558832.7036 1.2344 1.4524 PRESSURE: 570800 -115.87 48.127 64.1948 48.1264 -155.756 -86.769 64.1956 -86.7693 -179.501 GPRESSURE: 570800 -130.028 70.8615 168.411 93.3014 -115.849 -62.374 6.60156 -101.857 -111.221 PRESSAVG: 570800 -58.4619 -42.497 26.2556 -42.497 18.6994 23.992 26.2556 23.9921 38.2085 GPRESSAVG: 570800 -59.2113 -41.9139 26.9654 -41.6295 18.6855 24.7019 24.9024 24.2454 38.8104 TIMING: 570800 CPU: 1657.57, 0.00290279/step Wall: 1657.57, 0.00290279/step, 3.57139 hours remaining, 203.359375 MB of memory in use. ENERGY: 570800 727.1133 2093.6096 1994.5875 108.5485 -206243.5281 17741.9405 0.0000 0.0000 34110.3748 -149467.3540 297.8944 -183577.7288 -149370.2810 298.9149 -150.3758 -119.0327 560021.9179 -0.5180 -0.5718 PRESSURE: 571000 -246.169 142.627 208.044 142.626 -114.525 52.7337 208.045 52.7337 -197.424 GPRESSURE: 571000 -189.267 139.539 194.8 134.695 -57.8331 72.5202 299.554 8.15413 -206.71 PRESSAVG: 571000 4.47659 -17.9157 8.74049 -17.9158 59.1885 -8.35688 8.7405 -8.3569 -16.4132 GPRESSAVG: 571000 5.97384 -19.4398 8.20033 -18.0021 59.466 -8.26364 9.19073 -9.96261 -17.3911 TIMING: 571000 CPU: 1658.15, 0.00289364/step Wall: 1658.15, 0.00289364/step, 3.55998 hours remaining, 203.429688 MB of memory in use. ENERGY: 571000 755.6262 2125.1405 2010.9278 110.9090 -206185.1827 17733.2762 0.0000 0.0000 34046.6836 -149402.6195 297.3382 -183449.3031 -149313.4741 298.3733 -186.0395 -151.2700 557120.5182 15.7506 16.0162 PRESSURE: 571200 -37.9565 -24.9702 -87.0665 -24.9688 215.39 -17.0597 -87.0649 -17.0588 -334.858 GPRESSURE: 571200 -14.9688 1.10143 -102.191 5.29465 217.072 15.4495 -134.327 -27.1936 -287.7 PRESSAVG: 571200 -105.561 -6.72134 -12.0253 -6.72123 142.155 7.52905 -12.0252 7.52892 -12.4968 GPRESSAVG: 571200 -106.106 -8.85472 -14.6103 -6.66943 142.861 5.26493 -9.8591 10.7654 -13.0617 TIMING: 571200 CPU: 1658.72, 0.00289215/step Wall: 1658.72, 0.00289215/step, 3.55799 hours remaining, 203.429688 MB of memory in use. ENERGY: 571200 769.3761 1992.4086 1985.4863 104.8388 -206035.8335 17657.7197 0.0000 0.0000 34165.1685 -149360.8355 298.3729 -183526.0040 -149264.0435 299.0047 -52.4750 -28.5323 555767.7255 8.0325 7.8978 PRESSURE: 571400 -164.509 -34.1108 106.376 -34.1094 358.775 -46.2862 106.376 -46.2849 -58.9649 GPRESSURE: 571400 -190.974 -161.04 44.2215 -1.43366 430.078 -36.253 7.6549 -16.496 -1.64282 PRESSAVG: 571400 -33.5496 20.64 -0.468016 20.6401 16.0185 -1.80158 -0.468 -1.80156 -8.22258 GPRESSAVG: 571400 -33.7462 22.7957 0.712702 20.8594 16.0675 -0.693035 -0.782446 -4.17597 -8.07132 TIMING: 571400 CPU: 1659.31, 0.00290722/step Wall: 1659.31, 0.00290722/step, 3.57637 hours remaining, 203.429688 MB of memory in use. ENERGY: 571400 724.7626 2055.0502 1973.5191 120.5898 -206011.1064 17842.6020 0.0000 0.0000 34199.2852 -149095.2976 298.6709 -183294.5828 -149005.5500 299.4051 45.1004 79.1537 556793.0887 -8.5846 -8.5833 PRESSURE: 571600 -181.841 -122.017 112.734 -122.017 -37.9053 121.425 112.735 121.427 -262.362 GPRESSURE: 571600 -141.994 -162.462 71.8083 -88.2209 -48.6236 88.5848 132.019 135.661 -183.164 PRESSAVG: 571600 -21.9266 -56.3113 42.2657 -56.3113 14.2614 29.196 42.2656 29.196 -24.4058 GPRESSAVG: 571600 -20.6395 -56.754 42.6849 -57.2432 12.8814 30.5925 42.0155 29.2465 -24.3757 TIMING: 571600 CPU: 1659.89, 0.00293774/step Wall: 1659.89, 0.00293774/step, 3.61374 hours remaining, 203.496094 MB of memory in use. ENERGY: 571600 757.7306 2132.0062 1994.9992 128.1929 -205900.5288 17638.3244 0.0000 0.0000 34243.9694 -149005.3063 299.0611 -183249.2757 -148907.7170 299.5328 -160.7027 -124.5938 558004.1040 -10.6903 -10.7113 PRESSURE: 571800 -176.992 -52.5938 152.151 -52.5936 -60.9498 -23.6288 152.151 -23.6286 -108.783 GPRESSURE: 571800 -191.208 10.2175 114.444 -120.144 -47.2748 -34.7616 197.906 -5.23401 -25.0959 PRESSAVG: 571800 -2.86869 -11.9034 28.7667 -11.9034 32.2562 -0.0905552 28.7665 -0.0905383 -40.7101 GPRESSAVG: 571800 -3.32108 -10.9207 29.3111 -12.6297 32.5942 -1.37365 28.4479 -0.502665 -39.7914 TIMING: 571800 CPU: 1660.47, 0.0028917/step Wall: 1660.47, 0.0028917/step, 3.55695 hours remaining, 203.496094 MB of memory in use. ENERGY: 571800 785.3154 2151.8006 1972.6223 121.6551 -205955.4958 17644.5785 0.0000 0.0000 34327.7132 -148951.8107 299.7925 -183279.5239 -148849.4843 300.1367 -115.5749 -87.8594 557896.1698 -3.7742 -3.5061 PRESSURE: 572000 -376.955 102.459 -84.3249 102.459 19.005 67.2556 -84.3247 67.2551 -117.778 GPRESSURE: 572000 -342.231 40.2884 -79.4162 109.642 83.1025 86.214 -100.126 94.5333 -107.135 PRESSAVG: 572000 16.153 -58.5537 22.7965 -58.5537 -23.7798 7.55278 22.7964 7.55283 56.2031 GPRESSAVG: 572000 16.0028 -60.6017 23.5704 -55.5326 -23.1164 8.60134 23.4224 7.71113 55.2401 TIMING: 572000 CPU: 1661.05, 0.00290409/step Wall: 1661.05, 0.00290409/step, 3.57204 hours remaining, 203.496094 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: 572000 744.4042 2139.0963 1985.8651 113.2532 -206033.7517 17646.3804 0.0000 0.0000 34313.1826 -149091.5698 299.6656 -183404.7524 -148996.6854 299.6085 -158.5759 -122.0879 558197.5609 16.1921 16.0422 PRESSURE: 572200 41.3545 -77.4024 1.27261 -77.4017 129.074 -30.2041 1.27115 -30.2051 249.779 GPRESSURE: 572200 31.3108 59.972 66.5983 -93.436 206.606 -31.1191 -90.2702 -34.6342 274.157 PRESSAVG: 572200 -86.3017 -41.2575 19.6885 -41.2575 20.6235 -47.8733 19.6885 -47.8732 -8.11339 GPRESSAVG: 572200 -87.2153 -39.6377 20.3695 -41.5753 20.6347 -47.8658 17.5248 -47.1565 -7.62392 TIMING: 572200 CPU: 1661.63, 0.00290134/step Wall: 1661.63, 0.00290134/step, 3.56848 hours remaining, 203.496094 MB of memory in use. ENERGY: 572200 726.2483 2118.2924 1972.4123 110.3867 -206487.8286 18124.6747 0.0000 0.0000 34279.3808 -149156.4335 299.3704 -183435.8143 -149055.4448 299.5127 140.0692 170.6911 557184.3845 -24.5972 -24.7348 LDB: ============= START OF LOAD BALANCING ============== 1665.1 LDB: ============== END OF LOAD BALANCING =============== 1665.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1665.1 LDB: ============= START OF LOAD BALANCING ============== 1665.39 LDB: Largest compute 4855 load 0.028214 is 24.0% of average load 0.117561 LDB: Average compute 0.001727 is 1.5% of average load 0.117561 LDB: TIME 1665.4 LOAD: AVG 0.117561 MAX 0.180669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.574 MB LDB: TIME 1665.4 LOAD: AVG 0.117561 MAX 0.180669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.645 MB LDB: TIME 1665.4 LOAD: AVG 0.117561 MAX 0.180669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1665.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1665.4 PRESSURE: 572400 -89.967 50.014 73.6735 50.0133 -118.946 -27.2747 73.672 -27.2743 120.927 GPRESSURE: 572400 -109.001 -11.4653 159.716 18.898 -23.7702 -145.183 46.8386 -53.2066 146.648 PRESSAVG: 572400 -25.8859 -11.1249 -13.491 -11.1248 57.3246 25.4404 -13.491 25.4404 18.3349 GPRESSAVG: 572400 -24.9875 -9.3573 -15.4985 -11.9591 56.7729 26.6713 -10.522 24.885 18.491 TIMING: 572400 CPU: 1662.23, 0.00296856/step Wall: 1662.23, 0.00296856/step, 3.651 hours remaining, 203.167969 MB of memory in use. ENERGY: 572400 728.7172 2103.2786 1990.6114 112.5947 -206081.2397 17691.3523 0.0000 0.0000 34103.6381 -149351.0476 297.8356 -183454.6857 -149256.3198 299.1824 -29.3286 4.6257 555196.3620 16.5912 16.7588 PRESSURE: 572600 12.1389 38.5889 18.8656 38.589 -31.8289 3.26504 18.8645 3.26478 24.3111 GPRESSURE: 572600 17.1549 25.4423 108.915 48.3842 16.7036 51.9291 -131.264 -5.64639 60.393 PRESSAVG: 572600 4.51309 -74.413 -47.4633 -74.413 56.78 83.156 -47.4633 83.156 -58.331 GPRESSAVG: 572600 3.76909 -76.7606 -45.9523 -74.5004 56.3661 81.8365 -48.4498 84.4823 -57.4348 TIMING: 572600 CPU: 1662.81, 0.00290194/step Wall: 1662.81, 0.00290193/step, 3.5689 hours remaining, 203.257812 MB of memory in use. ENERGY: 572600 732.1363 2084.3550 2010.5552 101.7445 -206069.0269 17836.9840 0.0000 0.0000 34167.8787 -149135.3733 298.3966 -183303.2520 -149045.0883 299.2187 1.5403 31.4172 556573.2667 0.9874 0.9001 PRESSURE: 572800 38.1172 7.08805 153.446 7.08761 138.067 -56.8173 153.446 -56.818 -114.237 GPRESSURE: 572800 51.9837 62.6198 138.094 -50.4709 173.911 -32.7585 118.224 -77.7717 -79.1617 PRESSAVG: 572800 -10.7752 -22.6351 15.2895 -22.6351 6.10265 20.3446 15.2894 20.3446 -8.67822 GPRESSAVG: 572800 -9.29037 -20.8591 16.132 -25.0802 6.38558 20.2249 13.9089 18.8816 -10.7395 TIMING: 572800 CPU: 1663.39, 0.00292584/step Wall: 1663.39, 0.00292584/step, 3.59813 hours remaining, 203.257812 MB of memory in use. ENERGY: 572800 706.1525 2187.6198 1961.9807 113.4065 -206184.0445 17824.9432 0.0000 0.0000 34248.2337 -149141.7081 299.0983 -183389.9418 -149040.9005 299.1410 20.6490 48.9112 555831.0764 -4.4503 -4.5481 PRESSURE: 573000 -329.6 -81.8681 145.734 -81.8682 -0.887572 38.4046 145.734 38.4047 -43.5905 GPRESSURE: 573000 -256.942 7.89624 82.7808 -117.863 18.6864 -18.2929 148.381 63.8865 -23.9543 PRESSAVG: 573000 17.3198 -32.4566 -4.74649 -32.4567 5.27792 7.99857 -4.7465 7.99861 6.56038 GPRESSAVG: 573000 17.6718 -33.3006 -7.73025 -32.7732 4.11817 10.0961 -2.77811 5.73619 7.5546 TIMING: 573000 CPU: 1663.97, 0.00287971/step Wall: 1663.97, 0.00287971/step, 3.54124 hours remaining, 203.257812 MB of memory in use. ENERGY: 573000 733.3794 2120.9622 1973.2723 114.8665 -205956.4928 17625.0847 0.0000 0.0000 34266.7637 -149122.1640 299.2602 -183388.9276 -149029.0765 299.5842 -124.6925 -87.4033 556769.2288 9.7194 9.7815 PRESSURE: 573200 25.6214 -23.6321 199.236 -23.6326 199.489 -49.7444 199.237 -49.7445 58.9028 GPRESSURE: 573200 75.5982 6.99049 223.65 -2.60781 223.379 -28.6711 188.412 27.7839 83.3109 PRESSAVG: 573200 -9.98756 -6.42467 -8.46248 -6.42466 -14.8658 -24.2065 -8.46245 -24.2067 14.0074 GPRESSAVG: 573200 -9.94056 -7.49982 -7.28879 -2.20616 -14.1347 -26.3868 -9.55379 -22.495 13.3629 TIMING: 573200 CPU: 1664.55, 0.00292051/step Wall: 1664.55, 0.00292051/step, 3.59125 hours remaining, 203.257812 MB of memory in use. ENERGY: 573200 757.2391 2115.2784 1982.1784 114.2049 -206180.2295 17888.5983 0.0000 0.0000 34176.9199 -149145.8105 298.4755 -183322.7304 -149043.1402 298.6974 94.6712 127.4294 556949.1416 -3.6153 -3.5708 PRESSURE: 573400 -52.3237 23.1002 84.459 23.1009 -99.6592 42.2821 84.459 42.2817 -187.092 GPRESSURE: 573400 -18.5212 9.76852 49.3309 44.3389 -24.5745 -18.7044 202.198 9.53044 -198.625 PRESSAVG: 573400 23.8941 -14.0944 30.3335 -14.0946 13.4003 -40.8362 30.3335 -40.8361 -21.3209 GPRESSAVG: 573400 22.8516 -12.045 30.2094 -16.7766 14.408 -40.3385 30.9268 -39.7401 -20.8725 TIMING: 573400 CPU: 1665.13, 0.00289412/step Wall: 1665.13, 0.00289412/step, 3.55864 hours remaining, 203.257812 MB of memory in use. ENERGY: 573400 748.4758 2139.4777 1972.2285 99.6134 -206204.2410 17708.9366 0.0000 0.0000 34300.8142 -149234.6948 299.5575 -183535.5090 -149137.4155 299.7788 -113.0249 -80.5736 558289.5501 5.3245 5.4624 PRESSURE: 573600 -340.759 92.3452 -20.994 92.3457 90.855 -21.0117 -20.993 -21.0119 -158.665 GPRESSURE: 573600 -304.951 95.7542 56.059 38.3654 108.708 -51.8562 -95.1396 48.589 -115.828 PRESSAVG: 573600 0.674654 -13.7993 18.7647 -13.7992 16.4945 20.5993 18.7647 20.5993 -45.7344 GPRESSAVG: 573600 1.27531 -15.4888 19.0694 -12.2179 16.0775 20.6664 19.3143 21.8488 -46.3308 TIMING: 573600 CPU: 1665.71, 0.00288709/step Wall: 1665.71, 0.00288709/step, 3.54984 hours remaining, 203.257812 MB of memory in use. ENERGY: 573600 738.4569 2080.1976 1969.0776 110.5492 -206001.5906 17620.4048 0.0000 0.0000 34204.1723 -149278.7320 298.7135 -183482.9043 -149174.0222 298.9923 -136.1896 -104.0238 558226.1399 -9.5218 -9.6593 PRESSURE: 573800 117.1 -80.9541 -102.344 -80.9542 39.5945 89.5271 -102.344 89.5269 106.142 GPRESSURE: 573800 98.5803 -104.626 -147.666 -132.349 101.016 -19.7415 -55.3132 149.811 150.451 PRESSAVG: 573800 -79.7539 7.31844 -47.9933 7.31843 30.5958 33.1921 -47.9932 33.1922 2.28526 GPRESSAVG: 573800 -79.8759 8.35793 -48.7487 5.23775 30.8856 33.8931 -48.7422 33.6592 2.27742 TIMING: 573800 CPU: 1666.29, 0.00288656/step Wall: 1666.29, 0.00288656/step, 3.54903 hours remaining, 203.257812 MB of memory in use. ENERGY: 573800 713.8284 2091.5930 1962.2851 114.0409 -206019.8255 17812.2953 0.0000 0.0000 34072.7609 -149253.0219 297.5659 -183325.7827 -149162.2032 298.6038 87.6123 116.6826 559610.6949 -15.6243 -15.5710 PRESSURE: 574000 284.437 -96.1245 -1.36892 -96.1248 251.956 -119.943 -1.36989 -119.942 179.437 GPRESSURE: 574000 356.007 -68.3561 -46.9556 -53.7726 300.187 -105.414 4.63329 -153.176 152.079 PRESSAVG: 574000 31.5348 -1.16638 0.841959 -1.1664 53.7763 -36.4809 0.841934 -36.481 -79.693 GPRESSAVG: 574000 33.0117 -1.74096 0.662664 0.633823 51.8586 -35.9867 1.00315 -39.6108 -79.3154 TIMING: 574000 CPU: 1666.87, 0.00290905/step Wall: 1666.87, 0.00290905/step, 3.57651 hours remaining, 203.257812 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: 574000 759.3556 2087.7833 1971.3567 121.3435 -206626.2565 18184.8212 0.0000 0.0000 34216.1943 -149285.4018 298.8185 -183501.5961 -149186.9026 298.8532 238.6101 269.4242 557063.6942 1.8727 1.8516 PRESSURE: 574200 263.276 92.4893 14.657 92.4892 327.144 -184.141 14.6565 -184.142 -40.7842 GPRESSURE: 574200 311.455 64.0339 126.954 96.9341 360.915 -231.668 -6.7518 -112.256 -26.233 PRESSAVG: 574200 -25.4376 13.451 -17.2085 13.451 38.3236 48.8321 -17.2085 48.8322 -27.191 GPRESSAVG: 574200 -26.7752 12.7642 -16.0404 11.8155 39.2612 48.6253 -17.532 50.0818 -26.7986 TIMING: 574200 CPU: 1667.44, 0.00288443/step Wall: 1667.44, 0.00288443/step, 3.54609 hours remaining, 203.257812 MB of memory in use. ENERGY: 574200 767.0730 2081.9691 1974.0660 111.4564 -206462.7869 18213.6863 0.0000 0.0000 34314.1945 -149000.3417 299.6744 -183314.5361 -148904.3990 299.0086 183.2117 215.3791 557873.5541 -4.7683 -4.7708 PRESSURE: 574400 235.438 -105.976 -33.0573 -105.974 -44.1458 -285.627 -33.0571 -285.627 62.7996 GPRESSURE: 574400 279.761 -76.5487 -61.2093 -80.9024 -47.6919 -261.39 -51.1745 -276.688 123.279 PRESSAVG: 574400 80.1357 -15.2764 -30.2198 -15.2764 -24.5158 -35.7116 -30.2198 -35.7117 -19.1128 GPRESSAVG: 574400 80.0594 -14.0915 -29.0007 -14.5281 -25.5831 -37.486 -29.5214 -34.1517 -17.7855 TIMING: 574400 CPU: 1668.02, 0.00287986/step Wall: 1668.02, 0.00287986/step, 3.54031 hours remaining, 203.257812 MB of memory in use. ENERGY: 574400 736.4090 2084.3579 1953.2972 107.2037 -206451.8113 17925.1816 0.0000 0.0000 34479.2517 -149166.1102 301.1159 -183645.3619 -149064.4837 300.0402 84.6972 118.4494 557284.9293 12.1690 12.2303 PRESSURE: 574600 79.6414 -71.8504 -180.487 -71.8505 -112.533 -147.132 -180.486 -147.131 -4.06001 GPRESSURE: 574600 111.768 -117.737 -107.163 -136.314 -34.5332 -126.403 -231.545 -105.907 -14.826 PRESSAVG: 574600 -90.1459 -34.9538 -82.284 -34.9538 61.9903 36.2185 -82.284 36.2185 42.5151 GPRESSAVG: 574600 -90.6764 -36.9704 -83.3446 -34.1308 64.1408 36.9994 -82.9097 36.0599 41.1707 TIMING: 574600 CPU: 1668.6, 0.00288492/step Wall: 1668.6, 0.00288492/step, 3.54636 hours remaining, 203.257812 MB of memory in use. ENERGY: 574600 744.2190 2061.8389 1996.9963 115.1722 -205970.2932 17806.5080 0.0000 0.0000 34208.9620 -149036.5968 298.7554 -183245.5588 -148941.2063 299.9849 -12.3172 20.8029 556867.4022 4.7865 4.8784 PRESSURE: 574800 20.0898 -43.0516 -98.6149 -43.0505 129.874 167.477 -98.617 167.477 37.955 GPRESSURE: 574800 41.5434 -60.3261 -107.597 -9.19065 181.629 162.478 -114.082 130.362 78.9811 PRESSAVG: 574800 -30.5977 -9.5714 -6.39873 -9.5713 -26.4308 65.0144 -6.39868 65.0144 75.6404 GPRESSAVG: 574800 -30.3257 -8.29775 -7.49413 -9.10381 -26.9974 65.2459 -5.51904 65.1643 75.718 TIMING: 574800 CPU: 1669.17, 0.00288757/step Wall: 1669.17, 0.00288757/step, 3.54947 hours remaining, 203.257812 MB of memory in use. ENERGY: 574800 720.4481 2113.0452 1981.1778 107.7855 -206058.9735 18002.1424 0.0000 0.0000 34011.8701 -149122.5043 297.0341 -183134.3744 -149033.7549 299.3959 62.6395 100.7178 558495.0137 6.2040 6.1316 PRESSURE: 575000 141.47 -103.595 -39.4546 -103.596 -0.203104 78.9911 -39.454 78.9913 -139.745 GPRESSURE: 575000 153.03 -146.486 -63.0015 -125.025 -5.09252 88.3106 -29.0341 105.907 -50.7964 PRESSAVG: 575000 37.8318 -24.503 -8.42059 -24.503 15.5326 51.8023 -8.42062 51.8023 -69.352 GPRESSAVG: 575000 37.4304 -24.4999 -8.66794 -26.2361 15.3839 52.3237 -8.68081 50.0836 -68.1001 TIMING: 575000 CPU: 1669.75, 0.00288784/step Wall: 1669.75, 0.00288784/step, 3.54964 hours remaining, 203.257812 MB of memory in use. ENERGY: 575000 729.3170 2118.9189 1962.8736 115.5752 -206456.5077 17947.4177 0.0000 0.0000 34365.1703 -149217.2349 300.1196 -183582.4052 -149121.2460 299.3612 0.5072 32.3805 558539.5207 -5.3292 -5.0953 PRESSURE: 575200 69.7685 -65.1042 67.3293 -65.1029 -122.534 -146.161 67.3283 -146.16 135.77 GPRESSURE: 575200 147.007 -40.1856 -16.8005 -96.978 -103.247 -102.804 166.646 -151.312 144.013 PRESSAVG: 575200 33.2332 -34.2042 0.62609 -34.2041 -18.0129 50.6338 0.625992 50.6338 12.6016 GPRESSAVG: 575200 34.9835 -32.8663 2.04251 -35.5035 -18.7324 52.8705 -0.903789 50.9772 11.543 TIMING: 575200 CPU: 1670.33, 0.00288416/step Wall: 1670.33, 0.00288416/step, 3.54495 hours remaining, 203.257812 MB of memory in use. ENERGY: 575200 764.1768 2120.3768 1949.8063 118.8172 -206267.6157 17822.9571 0.0000 0.0000 34210.7370 -149280.7444 298.7709 -183491.4815 -149184.0432 299.2111 27.6682 62.5911 559041.2577 9.2740 9.2647 PRESSURE: 575400 90.7947 24.1102 83.254 24.109 402.789 34.71 83.2531 34.7115 195.577 GPRESSURE: 575400 101.73 52.1586 124.427 -11.4105 423.918 -4.86664 -23.6105 130.905 266.208 PRESSAVG: 575400 -27.0723 6.55801 42.1914 6.55795 8.34993 11.8087 42.1914 11.8087 43.9008 GPRESSAVG: 575400 -29.2967 6.87386 42.044 8.18044 9.90159 8.32471 41.9176 13.4542 44.4934 TIMING: 575400 CPU: 1670.91, 0.00290627/step Wall: 1670.91, 0.00290627/step, 3.57197 hours remaining, 203.257812 MB of memory in use. ENERGY: 575400 728.4037 2068.9630 1962.0091 107.2012 -206402.9512 18128.2264 0.0000 0.0000 34118.8535 -149289.2943 297.9684 -183408.1478 -149195.2285 298.9891 229.7202 263.9522 555437.3407 8.3928 8.3661 PRESSURE: 575600 193.902 -12.966 16.8014 -12.9663 8.82205 63.718 16.8006 63.7189 110.531 GPRESSURE: 575600 243.451 -87.1637 -46.4971 -4.35403 46.4542 49.7398 -35.7264 21.4502 129.026 PRESSAVG: 575600 -13.4598 -29.1891 15.0678 -29.189 -25.3014 -4.54669 15.0677 -4.54669 30.0664 GPRESSAVG: 575600 -12.9121 -32.3328 15.5993 -27.8751 -26.809 -3.81211 15.385 -5.03611 30.2504 TIMING: 575600 CPU: 1671.49, 0.00288021/step Wall: 1671.49, 0.00288021/step, 3.53978 hours remaining, 203.257812 MB of memory in use. ENERGY: 575600 752.8146 2096.8854 1967.4975 104.0390 -206510.0563 18028.0501 0.0000 0.0000 34222.3954 -149338.3744 298.8727 -183560.7698 -149237.6119 298.4476 104.4181 139.6436 556391.5946 -2.8983 -3.1569 PRESSURE: 575800 153.708 -23.5947 30.1611 -23.5947 -9.35753 -163.485 30.1614 -163.484 47.3236 GPRESSURE: 575800 134.428 17.0513 26.3625 -66.5402 44.7573 -200.89 -53.9899 -99.559 111.403 PRESSAVG: 575800 56.7187 -4.7191 29.6496 -4.71907 10.1578 35.8476 29.6498 35.8477 -24.6283 GPRESSAVG: 575800 56.3318 -3.49406 27.2785 -6.4626 9.90938 37.8463 30.5865 34.1028 -24.5273 TIMING: 575800 CPU: 1672.07, 0.00289539/step Wall: 1672.07, 0.00289539/step, 3.55827 hours remaining, 203.257812 MB of memory in use. ENERGY: 575800 732.2138 2090.6286 2003.3197 114.8361 -206297.4361 17887.9792 0.0000 0.0000 34004.3912 -149464.0675 296.9688 -183468.4587 -149364.9418 298.4659 63.8914 96.8627 557039.7892 14.0827 13.9046 PRESSURE: 576000 232.231 120.049 -112.461 120.05 72.6995 158.739 -112.461 158.739 -17.3359 GPRESSURE: 576000 313.916 149.902 -36.8702 88.8721 56.1466 61.7436 -186.551 120.649 18.0039 PRESSAVG: 576000 -0.175924 47.4172 -27.27 47.4172 20.2222 13.0258 -27.2699 13.0258 16.9266 GPRESSAVG: 576000 0.326116 46.3939 -24.9975 49.1937 20.4043 12.8712 -28.6976 13.7746 16.0802 TIMING: 576000 CPU: 1672.64, 0.00289598/step Wall: 1672.64, 0.00289598/step, 3.55883 hours remaining, 203.257812 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: 576000 734.1900 2124.4051 1961.7319 101.9915 -206702.4983 18060.6261 0.0000 0.0000 34245.9945 -149473.5592 299.0788 -183719.5537 -149372.5599 297.8090 95.8650 129.3555 556728.0636 12.3243 12.2702 PRESSURE: 576200 -227.183 -54.5374 56.0386 -54.5372 -176.142 154.542 56.0377 154.542 -4.65706 GPRESSURE: 576200 -244.566 -125.926 112.669 2.7512 -125.313 176.171 -57.7578 84.1497 61.4568 PRESSAVG: 576200 37.6093 36.7948 36.885 36.7948 10.5333 -12.9188 36.885 -12.9188 -84.1059 GPRESSAVG: 576200 37.3046 37.7664 35.3155 37.709 10.166 -14.8159 37.5164 -11.8735 -83.1606 TIMING: 576200 CPU: 1673.22, 0.00287974/step Wall: 1673.22, 0.00287974/step, 3.53872 hours remaining, 203.257812 MB of memory in use. ENERGY: 576200 758.1963 2135.6390 1988.5357 116.1719 -206432.9943 17787.5253 0.0000 0.0000 34214.1048 -149432.8214 298.8003 -183646.9262 -149333.4641 298.8815 -135.9941 -102.8073 557413.5738 -11.9878 -11.8967 LDB: ============= START OF LOAD BALANCING ============== 1676.69 LDB: ============== END OF LOAD BALANCING =============== 1676.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1676.69 LDB: ============= START OF LOAD BALANCING ============== 1676.98 LDB: Largest compute 4827 load 0.028682 is 24.4% of average load 0.117511 LDB: Average compute 0.001723 is 1.5% of average load 0.117511 LDB: TIME 1676.98 LOAD: AVG 0.117511 MAX 0.179246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.926 MB LDB: TIME 1676.98 LOAD: AVG 0.117511 MAX 0.179246 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.184 MB LDB: TIME 1676.98 LOAD: AVG 0.117511 MAX 0.179246 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1676.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1676.99 PRESSURE: 576400 -81.6204 24.3053 9.5331 24.3055 87.5441 35.9709 9.53352 35.9718 -64.1562 GPRESSURE: 576400 -38.9568 10.3678 -68.7591 41.7737 87.6233 29.7839 -20.7402 27.0229 -13.7003 PRESSAVG: 576400 16.2006 3.40316 55.3896 3.40325 -44.7217 35.5095 55.3896 35.5095 -0.987065 GPRESSAVG: 576400 14.9884 3.7015 54.9789 2.27699 -44.0238 35.4251 55.3978 34.8925 -0.726235 TIMING: 576400 CPU: 1673.82, 0.00297232/step Wall: 1673.82, 0.00297232/step, 3.65232 hours remaining, 204.960938 MB of memory in use. ENERGY: 576400 750.5861 2082.2963 1993.6731 117.9141 -206462.6892 17912.5793 0.0000 0.0000 34152.9922 -149452.6480 298.2666 -183605.6403 -149353.1640 298.4195 -19.4108 11.6554 556424.1275 -9.8361 -9.9205 PRESSURE: 576600 68.0152 96.381 -54.5498 96.3815 28.4006 -143.557 -54.5502 -143.556 -102.339 GPRESSURE: 576600 150.764 137.71 5.16998 69.9958 11.5197 -180.258 14.2892 -108.701 -73.9845 PRESSAVG: 576600 -46.929 39.3643 30.2005 39.3643 42.0147 9.21367 30.2005 9.21369 -9.40428 GPRESSAVG: 576600 -45.4697 39.7183 29.1346 40.8263 40.8671 9.64156 31.0429 7.75215 -9.47475 TIMING: 576600 CPU: 1674.4, 0.00293682/step Wall: 1674.4, 0.00293682/step, 3.60854 hours remaining, 205.031250 MB of memory in use. ENERGY: 576600 707.6805 2086.3915 1965.3018 118.2983 -206162.7970 17815.2833 0.0000 0.0000 34236.8267 -149233.0149 298.9987 -183469.8416 -149128.3185 298.8253 -1.9745 29.4332 557595.0033 -4.7728 -4.6924 PRESSURE: 576800 53.7595 -1.64962 34.6846 -1.65037 -70.0223 8.39701 34.6855 8.39772 426.106 GPRESSURE: 576800 39.0935 -36.2101 160.014 -9.24618 6.349 -103.946 51.2115 92.5159 456.949 PRESSAVG: 576800 -9.03656 96.1425 2.49782 96.1424 -81.4871 5.86352 2.49785 5.86355 82.5363 GPRESSAVG: 576800 -10.87 94.8714 3.24857 95.8827 -81.257 3.90321 2.82328 5.43206 83.4348 TIMING: 576800 CPU: 1674.99, 0.00291904/step Wall: 1674.99, 0.00291904/step, 3.58652 hours remaining, 205.031250 MB of memory in use. ENERGY: 576800 770.9165 2077.7011 1983.9591 126.3447 -206386.3536 18109.9192 0.0000 0.0000 34142.7582 -149174.7548 298.1772 -183317.5131 -149078.2866 299.6211 136.6143 167.4639 557261.8897 -2.6624 -2.8974 PRESSURE: 577000 -210.271 45.9583 108.344 45.9586 -53.9081 -41.1568 108.345 -41.1557 133.945 GPRESSURE: 577000 -107.795 51.963 132.156 67.8589 -61.1624 -22.7929 8.08376 -43.2149 133.655 PRESSAVG: 577000 -34.4998 36.8073 -6.93074 36.8073 -8.84791 52.5661 -6.9307 52.5663 37.7876 GPRESSAVG: 577000 -34.1325 37.752 -7.51791 35.5297 -7.91599 54.6573 -8.05372 54.2772 36.4948 TIMING: 577000 CPU: 1675.57, 0.00292344/step Wall: 1675.57, 0.00292344/step, 3.59177 hours remaining, 205.031250 MB of memory in use. ENERGY: 577000 774.0498 1997.8494 1983.8454 112.9129 -205961.5471 17718.9421 0.0000 0.0000 34003.0181 -149370.9294 296.9568 -183373.9475 -149268.2675 299.3688 -43.4113 -11.7677 557044.3384 -1.8534 -1.8512 PRESSURE: 577200 143.986 156.59 144.966 156.59 236.177 167.662 144.966 167.661 173.651 GPRESSURE: 577200 138.85 178.343 160.987 152.157 319.972 140.939 174.6 109.686 180.248 PRESSAVG: 577200 -10.4977 70.6522 2.29423 70.6522 28.6277 -9.26831 2.2943 -9.26825 1.89995 GPRESSAVG: 577200 -10.5889 72.7492 5.98001 71.0178 27.6982 -9.34364 1.48573 -7.76651 2.70592 TIMING: 577200 CPU: 1676.16, 0.00293894/step Wall: 1676.16, 0.00293894/step, 3.61065 hours remaining, 205.031250 MB of memory in use. ENERGY: 577200 697.6411 2109.6926 1984.1091 103.1784 -206390.7727 17982.2110 0.0000 0.0000 34239.7867 -149274.1539 299.0246 -183513.9406 -149176.3561 297.9602 184.6047 213.0232 557602.5580 6.6767 6.6051 PRESSURE: 577400 166.913 -125.196 64.484 -125.195 9.91687 114.63 64.4841 114.631 188.206 GPRESSURE: 577400 213.068 -94.3436 22.8767 -133.767 21.7219 128.43 155.28 151.871 234.723 PRESSAVG: 577400 -14.0125 13.5722 1.07828 13.5722 35.5318 74.8121 1.07819 74.8121 8.55474 GPRESSAVG: 577400 -14.7271 10.8539 -0.700454 12.3335 36.5676 74.9392 2.49199 73.1985 8.21384 TIMING: 577400 CPU: 1676.74, 0.00289506/step Wall: 1676.74, 0.00289506/step, 3.55658 hours remaining, 205.031250 MB of memory in use. ENERGY: 577400 733.2033 2057.4939 2002.6044 101.4293 -206428.0248 17892.4967 0.0000 0.0000 34312.7804 -149328.0167 299.6620 -183640.7971 -149231.1919 298.5953 121.6787 156.5043 556582.7509 10.0247 10.0181 PRESSURE: 577600 69.5336 56.7673 75.4126 56.7674 108.593 65.7334 75.4137 65.7318 178.479 GPRESSURE: 577600 157.052 66.2129 61.1959 96.2553 124.359 78.2842 21.1639 51.7897 176.126 PRESSAVG: 577600 -15.2528 26.9521 -29.7976 26.9521 32.7936 -33.6655 -29.7976 -33.6656 -15.7855 GPRESSAVG: 577600 -14.0069 26.5284 -30.8728 29.359 32.99 -33.6707 -30.0878 -34.0283 -17.3421 TIMING: 577600 CPU: 1677.32, 0.00288981/step Wall: 1677.32, 0.00288981/step, 3.54997 hours remaining, 205.031250 MB of memory in use. ENERGY: 577600 744.2030 2088.7642 1997.9489 118.3955 -206114.6532 17755.2225 0.0000 0.0000 34163.6789 -149246.4402 298.3599 -183410.1191 -149151.6021 299.3553 118.8685 152.5124 556152.6473 0.5851 0.5470 PRESSURE: 577800 191.178 -107.423 -6.07808 -107.424 19.9753 -123.026 -6.07754 -123.027 -2.55997 GPRESSURE: 577800 259.417 -75.9095 -20.541 -147.133 29.328 -203.888 17.7658 -80.511 10.1125 PRESSAVG: 577800 43.7611 3.5739 45.6571 3.57399 -31.625 -3.92344 45.6571 -3.92342 -14.7321 GPRESSAVG: 577800 42.6815 5.33074 45.9562 3.50508 -31.8727 -4.39314 46.1309 -3.68525 -13.4627 TIMING: 577800 CPU: 1677.9, 0.00291139/step Wall: 1677.9, 0.00291138/step, 3.57631 hours remaining, 205.031250 MB of memory in use. ENERGY: 577800 733.1922 2088.4729 1984.5887 119.1617 -206452.9106 17950.4372 0.0000 0.0000 34304.0170 -149273.0409 299.5855 -183577.0578 -149182.2158 299.3399 69.5310 99.6193 556655.1101 -0.8653 -0.8847 PRESSURE: 578000 -135.178 -113.001 -106.645 -113.002 -19.4965 -149.454 -106.646 -149.454 199.255 GPRESSURE: 578000 -69.3372 -115.078 -138.705 -5.0146 5.6183 -151.525 -145.862 -147.398 199.517 PRESSAVG: 578000 42.8376 -31.4617 74.9943 -31.4618 -37.8477 -53.6486 74.9943 -53.6486 -13.2348 GPRESSAVG: 578000 43.8545 -33.2757 74.7476 -31.6997 -38.2892 -51.8954 74.8089 -54.1399 -14.076 TIMING: 578000 CPU: 1678.48, 0.00290506/step Wall: 1678.48, 0.00290506/step, 3.56838 hours remaining, 205.031250 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: 578000 758.0333 2148.6603 1953.3779 110.8731 -206193.1437 17824.1940 0.0000 0.0000 34073.5698 -149324.4353 297.5730 -183398.0052 -149234.7552 299.0634 14.8602 45.2659 556526.5628 -2.7483 -2.8369 PRESSURE: 578200 96.3748 66.5995 -39.4618 66.5989 -327.913 104.567 -39.461 104.568 -318.846 GPRESSURE: 578200 106.735 116.196 -11.5914 55.5561 -291.526 16.6791 -150.45 136.513 -276.755 PRESSAVG: 578200 58.5257 -33.2527 -8.48494 -33.2527 -46.4527 -17.0354 -8.48487 -17.0355 25.0753 GPRESSAVG: 578200 56.9726 -32.6588 -7.02115 -35.4168 -46.1808 -20.04 -11.1235 -16.7234 26.8449 TIMING: 578200 CPU: 1679.06, 0.00291595/step Wall: 1679.06, 0.00291595/step, 3.5816 hours remaining, 205.031250 MB of memory in use. ENERGY: 578200 744.2120 2152.2550 1963.4093 117.5972 -206095.0702 17641.5145 0.0000 0.0000 34271.1264 -149204.9559 299.2983 -183476.0822 -149105.9604 298.7784 -183.4612 -153.8488 557811.5029 12.3827 12.5456 PRESSURE: 578400 130.285 1.36816 78.3314 1.36913 -316.91 80.9514 78.3305 80.9526 154.579 GPRESSURE: 578400 135.979 -127.588 85.5355 101.927 -317.054 93.1707 89.9128 74.1271 234.017 PRESSAVG: 578400 9.45938 -19.8097 2.30706 -19.8098 -49.8517 13.6172 2.30705 13.6174 30.8058 GPRESSAVG: 578400 10.0208 -21.6867 0.922103 -16.6702 -49.0093 16.8091 5.3571 12.0387 29.5199 TIMING: 578400 CPU: 1679.65, 0.00292279/step Wall: 1679.65, 0.00292279/step, 3.58983 hours remaining, 205.156250 MB of memory in use. ENERGY: 578400 752.9032 2165.5332 1972.5446 114.2103 -205963.0270 17580.1626 0.0000 0.0000 34325.7172 -149051.9560 299.7750 -183377.6731 -148947.9290 300.0048 -10.6820 17.6473 555958.0092 -3.1955 -3.1562 PRESSURE: 578600 288.383 -83.9564 -54.3461 -83.9558 -43.1253 4.02284 -54.3455 4.02412 -8.02564 GPRESSURE: 578600 325.305 -95.4006 -43.1357 -65.0901 30.736 -63.6134 -53.2794 -36.4594 -6.03144 PRESSAVG: 578600 39.6085 -31.6095 13.2513 -31.6095 -16.2163 -18.4509 13.2513 -18.4511 -5.6548 GPRESSAVG: 578600 40.382 -29.8722 16.5654 -34.8694 -17.6196 -19.7442 12.2121 -17.7421 -5.52309 TIMING: 578600 CPU: 1680.23, 0.00292493/step Wall: 1680.23, 0.00292493/step, 3.5923 hours remaining, 205.156250 MB of memory in use. ENERGY: 578600 745.5111 2099.0980 1983.7669 116.5070 -206403.8278 17924.3649 0.0000 0.0000 34486.5105 -149048.0695 301.1793 -183534.5800 -148963.2561 299.7576 79.0772 116.6698 556581.6905 5.9125 5.7464 PRESSURE: 578800 -189.958 40.1647 54.3817 40.1633 -221.804 14.0146 54.3813 14.0164 -154.353 GPRESSURE: 578800 -166.785 24.3396 8.28408 84.7879 -192.644 80.3036 34.6964 9.16167 -96.5015 PRESSAVG: 578800 26.6706 -25.9222 -57.1438 -25.9221 -43.2211 78.8803 -57.1438 78.8802 -25.5787 GPRESSAVG: 578800 25.9122 -26.3427 -57.7358 -22.1169 -43.1704 76.8311 -57.6775 80.56 -24.199 TIMING: 578800 CPU: 1680.81, 0.0029096/step Wall: 1680.81, 0.0029096/step, 3.57331 hours remaining, 205.156250 MB of memory in use. ENERGY: 578800 795.4728 2112.4206 1965.8664 124.4064 -205900.9569 17528.9662 0.0000 0.0000 34353.8694 -149019.9551 300.0209 -183373.8245 -148924.6389 300.6502 -188.7051 -151.9770 556525.1052 -14.0431 -13.8191 PRESSURE: 579000 -149.86 91.9113 225.153 91.9113 -123.796 -1.46022 225.152 -1.45887 29.068 GPRESSURE: 579000 -158.633 52.7145 192.151 129.766 -106.99 -29.1908 205.389 -24.3561 116.587 PRESSAVG: 579000 -10.921 48.6665 47.4718 48.6666 -69.5909 38.636 47.4719 38.6361 12.9148 GPRESSAVG: 579000 -10.4386 48.9621 44.3856 46.5305 -68.6215 38.7523 48.827 38.574 11.048 TIMING: 579000 CPU: 1681.39, 0.00287834/step Wall: 1681.39, 0.00287834/step, 3.53477 hours remaining, 205.156250 MB of memory in use. ENERGY: 579000 790.0307 2123.3626 1986.5889 118.6060 -206352.9764 17767.7699 0.0000 0.0000 34358.9902 -149207.6280 300.0656 -183566.6182 -149113.3552 299.9331 -81.5291 -49.6786 556897.2113 -22.5324 -22.6707 PRESSURE: 579200 -201.676 64.748 -77.6254 64.7469 -82.035 -66.4051 -77.6257 -66.4064 -206.063 GPRESSURE: 579200 -176.233 51.186 -106.497 30.265 -58.6645 -51.2866 -118.919 -58.4026 -156.12 PRESSAVG: 579200 30.1964 12.3946 6.30891 12.3944 -15.0971 -11.6817 6.30889 -11.6817 -2.63227 GPRESSAVG: 579200 30.3102 12.5061 5.41642 10.6026 -15.5532 -12.2213 6.52912 -10.2222 -2.38529 TIMING: 579200 CPU: 1681.97, 0.00288795/step Wall: 1681.97, 0.00288795/step, 3.5464 hours remaining, 205.156250 MB of memory in use. ENERGY: 579200 752.5030 2119.0020 1971.1344 111.5148 -205964.9130 17573.9919 0.0000 0.0000 34278.7819 -149157.9850 299.3651 -183436.7669 -149067.8913 299.6060 -163.2581 -130.3390 557835.9770 4.1557 4.1239 PRESSURE: 579400 -225.795 121.643 89.6463 121.643 -20.054 -99.6618 89.6463 -99.662 -29.2115 GPRESSURE: 579400 -225.26 175.782 144.175 63.7319 56.4529 -94.5563 89.6409 -46.8271 -11.5162 PRESSAVG: 579400 -41.0956 34.037 29.7147 34.0369 32.0861 -5.86545 29.7147 -5.86547 -1.38518 GPRESSAVG: 579400 -40.4141 33.5336 33.2102 35.9813 31.687 -4.06526 28.494 -8.11804 -1.77782 TIMING: 579400 CPU: 1682.55, 0.00291502/step Wall: 1682.55, 0.00291502/step, 3.57948 hours remaining, 205.156250 MB of memory in use. ENERGY: 579400 728.2811 2097.9646 1974.0713 113.2232 -205912.3076 17489.2335 0.0000 0.0000 34365.0808 -149144.4531 300.1188 -183509.5339 -149047.5384 299.6527 -91.6870 -60.1078 558070.9243 -3.4649 -3.5016 PRESSURE: 579600 -39.5244 -59.0561 25.1829 -59.0566 119.884 -41.6859 25.1815 -41.6866 -317.363 GPRESSURE: 579600 11.8224 -20.7841 46.4098 -26.2883 139.881 -41.0782 -28.1002 -83.7027 -302.726 PRESSAVG: 579600 65.968 -5.13126 17.6174 -5.13129 -41.4483 -32.3463 17.6173 -32.3462 -52.0189 GPRESSAVG: 579600 65.7412 -5.27546 16.383 -6.3253 -41.4507 -30.2506 19.2503 -32.6621 -51.4216 TIMING: 579600 CPU: 1683.13, 0.00289778/step Wall: 1683.13, 0.00289778/step, 3.55815 hours remaining, 205.156250 MB of memory in use. ENERGY: 579600 736.9659 2155.4660 1975.4920 118.6876 -206104.9000 17622.4570 0.0000 0.0000 34441.0241 -149054.8074 300.7820 -183495.8315 -148958.1534 299.2155 -79.0013 -50.3410 558591.1289 -9.1664 -9.0437 PRESSURE: 579800 -109.923 67.1264 -82.8839 67.126 -256.5 -69.9799 -82.8843 -69.9775 -89.6759 GPRESSURE: 579800 -106.067 94.1534 -89.4882 -10.2179 -210.213 -89.8535 -76.2706 -14.6703 -59.2812 PRESSAVG: 579800 30.9488 6.70042 41.6007 6.70039 -77.1391 -10.6935 41.6008 -10.6934 10.5185 GPRESSAVG: 579800 31.3042 6.50346 42.9575 8.02688 -77.2229 -13.9338 39.4685 -9.54876 10.3623 TIMING: 579800 CPU: 1683.71, 0.00292733/step Wall: 1683.71, 0.00292733/step, 3.59428 hours remaining, 205.156250 MB of memory in use. ENERGY: 579800 755.7040 2100.1564 1967.3758 122.7241 -205782.0113 17628.5904 0.0000 0.0000 34279.7427 -148927.7179 299.3735 -183207.4606 -148829.4046 299.6263 -152.0330 -125.1870 559159.2990 -11.8906 -11.8521 PRESSURE: 580000 70.2392 -51.0226 69.0001 -51.0217 -5.60337 -110.564 68.9989 -110.564 -61.873 GPRESSURE: 580000 131.339 -77.957 31.5534 -63.5461 24.5989 -117.202 40.2052 -111.19 -60.3735 PRESSAVG: 580000 71.0011 -47.002 -38.5172 -47.002 -64.9655 -29.479 -38.5172 -29.4789 30.0474 GPRESSAVG: 580000 69.9732 -47.9589 -38.009 -48.4173 -63.8813 -26.7569 -36.0865 -31.7393 29.6743 TIMING: 580000 CPU: 1684.3, 0.00291087/step Wall: 1684.3, 0.00291087/step, 3.5739 hours remaining, 205.359375 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: 580000 781.9784 2057.1883 1975.2021 119.3755 -205976.4849 17716.5835 0.0000 0.0000 34336.2131 -148989.9441 299.8667 -183326.1572 -148893.6305 299.1627 0.9209 31.8548 558170.7086 12.0277 11.9221 PRESSURE: 580200 233.358 53.1498 47.4512 53.1502 119.526 117.714 47.4523 117.712 -56.0445 GPRESSURE: 580200 245.967 142.842 49.7519 39.5976 160.3 126.886 76.8102 168.715 -26.684 PRESSAVG: 580200 -54.1313 14.7481 -18.731 14.7481 63.4851 40.953 -18.7311 40.9529 -16.9564 GPRESSAVG: 580200 -54.5705 15.3457 -19.1498 16.1104 63.5224 39.4576 -21.0121 42.2512 -16.1118 TIMING: 580200 CPU: 1684.87, 0.0028885/step Wall: 1684.87, 0.0028885/step, 3.54627 hours remaining, 205.359375 MB of memory in use. ENERGY: 580200 717.3470 2154.5899 1951.6064 107.0632 -205895.2780 17856.1553 0.0000 0.0000 34204.9612 -148903.5550 298.7204 -183108.5162 -148810.2700 299.2345 98.9465 126.5277 558396.9670 -2.5342 -2.3866 LDB: ============= START OF LOAD BALANCING ============== 1688.34 LDB: ============== END OF LOAD BALANCING =============== 1688.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1688.34 LDB: ============= START OF LOAD BALANCING ============== 1688.63 LDB: Largest compute 4855 load 0.027515 is 23.4% of average load 0.117555 LDB: Average compute 0.001725 is 1.5% of average load 0.117555 LDB: TIME 1688.63 LOAD: AVG 0.117555 MAX 0.177926 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.191 MB LDB: TIME 1688.63 LOAD: AVG 0.117555 MAX 0.177926 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.434 MB LDB: TIME 1688.63 LOAD: AVG 0.117555 MAX 0.177926 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1688.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1688.64 PRESSURE: 580400 31.9802 25.4717 152.347 25.4725 -12.0147 11.9746 152.346 11.9737 102.48 GPRESSURE: 580400 102.375 65.7191 203.117 8.57185 42.6058 45.1272 72.5516 6.83111 64.5158 PRESSAVG: 580400 37.9855 46.8864 49.914 46.8864 -46.4472 15.3997 49.914 15.3997 -36.2511 GPRESSAVG: 580400 38.0014 47.119 48.6285 48.4435 -46.1974 16.5148 50.8353 15.6722 -36.6958 TIMING: 580400 CPU: 1685.47, 0.00295161/step Wall: 1685.47, 0.00295161/step, 3.62359 hours remaining, 203.734375 MB of memory in use. ENERGY: 580400 705.1286 2040.4140 1994.5923 111.1643 -206084.7463 17785.8511 0.0000 0.0000 34371.7680 -149075.8280 300.1772 -183447.5960 -148975.8866 299.4540 40.8153 69.8321 557949.2042 -14.9043 -14.9639 PRESSURE: 580600 140.367 2.85468 63.5833 2.85435 187.917 -112.537 63.5823 -112.538 155.261 GPRESSURE: 580600 171.349 12.9153 46.7266 -45.7592 195.671 -111.94 105.684 -52.5956 215.662 PRESSAVG: 580600 19.4762 3.17449 21.6692 3.1745 -9.79296 4.80008 21.6693 4.80018 -3.91445 GPRESSAVG: 580600 19.3626 3.50044 21.5126 2.73725 -10.5151 3.71326 24.1662 5.57111 -3.21789 TIMING: 580600 CPU: 1686.05, 0.00291727/step Wall: 1686.05, 0.00291727/step, 3.58128 hours remaining, 203.992188 MB of memory in use. ENERGY: 580600 692.5557 2107.6344 1983.2488 99.3534 -206279.4263 18079.9009 0.0000 0.0000 34157.1378 -149159.5951 298.3028 -183316.7329 -149062.9513 299.3650 161.1816 194.2273 557503.3204 1.9229 1.8765 PRESSURE: 580800 3.90734 6.11209 57.3295 6.1107 109.689 -134.739 57.3289 -134.741 -59.7307 GPRESSURE: 580800 10.6303 32.6034 -10.8763 75.1514 184.112 -207.277 69.4251 -124.471 -45.2302 PRESSAVG: 580800 1.9654 29.7795 -6.5592 29.7795 -7.74331 -39.4437 -6.55924 -39.4439 0.998132 GPRESSAVG: 580800 1.56193 30.5013 -7.16561 27.4088 -7.82168 -37.8921 -8.33738 -39.8705 1.37737 TIMING: 580800 CPU: 1686.64, 0.0029529/step Wall: 1686.64, 0.0029529/step, 3.62484 hours remaining, 203.992188 MB of memory in use. ENERGY: 580800 745.0638 2062.9705 1997.8292 117.6105 -206118.8427 17804.8105 0.0000 0.0000 34338.1360 -149052.4222 299.8835 -183390.5582 -148965.3415 299.5610 17.9551 49.8374 558088.4461 -1.5933 -1.6275 PRESSURE: 581000 56.8143 -87.052 -180.658 -87.0521 -167.411 -354.861 -180.658 -354.861 16.7349 GPRESSURE: 581000 79.6858 -151.686 -169.917 -6.27255 -124.288 -409.219 -243.295 -287.701 39.6064 PRESSAVG: 581000 -2.31347 8.79063 -54.9783 8.79059 4.34018 4.95795 -54.9782 4.95802 -20.2041 GPRESSAVG: 581000 -1.70742 8.24327 -54.0736 8.93557 3.85097 4.64871 -53.6878 2.95417 -20.8311 TIMING: 581000 CPU: 1687.22, 0.00291173/step Wall: 1687.22, 0.00291173/step, 3.57414 hours remaining, 204.085938 MB of memory in use. ENERGY: 581000 729.1369 2081.8599 1977.8917 107.3942 -206125.9040 17785.9642 0.0000 0.0000 34340.0239 -149103.6331 299.9000 -183443.6571 -149013.0786 299.6359 -31.2874 -1.6653 558453.1032 -6.0591 -6.2292 PRESSURE: 581200 -349.209 -17.9223 36.6642 -17.923 -165.239 -304.593 36.6639 -304.594 -264.866 GPRESSURE: 581200 -242.359 -88.2582 22.034 39.8438 -156.603 -285.323 -8.7346 -331.582 -275.949 PRESSAVG: 581200 -15.5828 -9.96282 59.963 -9.9629 2.84717 -67.3011 59.9631 -67.3011 40.6153 GPRESSAVG: 581200 -14.9142 -8.61485 59.4534 -10.078 3.18115 -67.9619 57.9846 -64.9368 39.5485 TIMING: 581200 CPU: 1687.8, 0.00289509/step Wall: 1687.8, 0.00289509/step, 3.55356 hours remaining, 204.085938 MB of memory in use. ENERGY: 581200 757.6675 2090.4587 1980.4157 120.9740 -205959.5743 17540.4787 0.0000 0.0000 34268.9677 -149200.6121 299.2794 -183469.5798 -149103.4629 299.4953 -259.7712 -224.9707 557831.1906 9.2932 9.2718 PRESSURE: 581400 -102.122 -52.0157 -10.0025 -52.0145 -230.982 -194.917 -10.0023 -194.916 120.35 GPRESSURE: 581400 -107.791 -38.6783 14.8875 -66.4073 -182.959 -69.7499 4.17303 -220.07 156.598 PRESSAVG: 581400 -30.4219 -23.9677 -1.78313 -23.9677 -14.8923 4.37001 -1.78314 4.36998 8.39635 GPRESSAVG: 581400 -30.0123 -24.5245 -3.46602 -24.9172 -15.5752 6.59819 -0.578844 1.9607 8.60698 TIMING: 581400 CPU: 1688.38, 0.00289797/step Wall: 1688.38, 0.00289797/step, 3.55694 hours remaining, 204.085938 MB of memory in use. ENERGY: 581400 757.7425 2126.8540 1959.4519 120.3144 -206073.3233 17727.8303 0.0000 0.0000 34279.7071 -149101.4232 299.3732 -183381.1303 -149006.4871 299.4120 -70.9183 -44.7173 556696.1342 -12.3059 -12.3269 PRESSURE: 581600 158.114 8.55175 39.1658 8.55163 -127.52 33.2557 39.1654 33.2541 -85.9532 GPRESSURE: 581600 193.531 61.6221 -6.81265 40.5816 -61.6912 -70.4645 107.48 135.458 -87.4774 PRESSAVG: 581600 22.0907 10.9384 -27.6095 10.9384 -30.2185 61.1842 -27.6095 61.1841 -5.42561 GPRESSAVG: 581600 21.1279 11.1822 -25.3324 11.4745 -29.5035 60.5898 -29.3126 62.6968 -5.23221 TIMING: 581600 CPU: 1688.96, 0.00289539/step Wall: 1688.96, 0.00289539/step, 3.55361 hours remaining, 204.085938 MB of memory in use. ENERGY: 581600 753.2977 2086.7399 1959.5650 104.0546 -206121.1096 17760.4391 0.0000 0.0000 34318.9217 -149138.0917 299.7157 -183457.0133 -149043.6233 299.1345 -18.4529 14.7873 557770.5282 -4.5178 -4.5360 PRESSURE: 581800 -73.7917 -45.1464 -63.4084 -45.1464 92.6662 -35.4524 -63.41 -35.4512 -332.119 GPRESSURE: 581800 -12.8248 -71.6271 -27.0542 -135.784 62.9568 -62.6385 -139.633 47.4086 -262.651 PRESSAVG: 581800 60.3856 -14.9088 31.9405 -14.9087 0.572193 -22.3964 31.9406 -22.3964 -22.145 GPRESSAVG: 581800 59.9225 -15.7946 30.8093 -14.8623 -0.323569 -22.6069 32.4203 -22.0817 -21.2948 TIMING: 581800 CPU: 1689.54, 0.00291182/step Wall: 1689.54, 0.00291182/step, 3.57361 hours remaining, 204.148438 MB of memory in use. ENERGY: 581800 748.9566 2107.3393 1932.9255 106.0083 -206058.5088 17774.6637 0.0000 0.0000 34174.4538 -149214.1616 298.4540 -183388.6154 -149125.3868 299.2894 -104.4148 -70.8398 557118.4731 12.9376 12.7680 PRESSURE: 582000 41.7889 52.8126 9.69851 52.8124 -260.36 -34.9305 9.6975 -34.9299 -266.68 GPRESSURE: 582000 -4.8418 99.6397 37.2981 78.509 -190.765 -39.8985 -36.8146 -94.9793 -193.085 PRESSAVG: 582000 16.496 12.5333 -25.2956 12.5333 17.3857 -8.41282 -25.2956 -8.41273 -12.1594 GPRESSAVG: 582000 17.8435 13.015 -25.7755 12.0664 17.0871 -6.89955 -25.921 -9.35866 -13.0344 TIMING: 582000 CPU: 1690.12, 0.00289272/step Wall: 1690.12, 0.00289272/step, 3.55001 hours remaining, 204.148438 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: 582000 773.2921 2067.4228 1974.0313 123.7684 -205695.7939 17502.8938 0.0000 0.0000 34200.8148 -149053.5707 298.6842 -183254.3855 -148957.7120 298.9530 -161.7504 -129.5639 558118.4914 7.2408 7.2987 PRESSURE: 582200 -4.10027 57.093 -102.527 57.0931 21.9269 -164.881 -102.528 -164.882 11.3184 GPRESSURE: 582200 13.3825 67.9574 -116.957 82.6649 78.7396 -97.7269 -115.905 -90.411 37.036 PRESSAVG: 582200 64.4268 16.4152 2.66909 16.4152 3.64969 9.11263 2.66909 9.11275 -39.28 GPRESSAVG: 582200 64.2505 17.9306 2.09778 15.3346 3.92602 7.21332 2.3036 11.0723 -39.2859 TIMING: 582200 CPU: 1690.7, 0.00289402/step Wall: 1690.7, 0.00289402/step, 3.55145 hours remaining, 204.148438 MB of memory in use. ENERGY: 582200 726.6759 2072.9637 1971.3704 108.1268 -206027.7195 17733.5278 0.0000 0.0000 34531.7132 -148883.3418 301.5740 -183415.0549 -148777.0592 299.6263 9.7150 43.0527 557547.0174 9.5988 9.6302 PRESSURE: 582400 3.29254 81.63 -78.8881 81.6292 66.1936 99.9739 -78.8887 99.9728 -87.5445 GPRESSURE: 582400 6.83216 85.578 -103.321 109.997 89.6314 86.4516 38.6763 108.967 -26.6219 PRESSAVG: 582400 26.9203 -1.71301 -33.0946 -1.71296 -33.6086 -19.1039 -33.0945 -19.1039 -4.48695 GPRESSAVG: 582400 26.1636 -5.53806 -34.8932 -0.615395 -35.0275 -17.6215 -30.3102 -21.8739 -2.98626 TIMING: 582400 CPU: 1691.28, 0.00289462/step Wall: 1691.28, 0.00289462/step, 3.55201 hours remaining, 204.148438 MB of memory in use. ENERGY: 582400 722.2376 2095.5356 1938.5469 109.8709 -205849.7473 17918.3772 0.0000 0.0000 34208.1029 -148857.0763 298.7479 -183065.1792 -148759.1567 300.6103 -6.0195 23.2805 559751.0541 -3.7251 -3.9501 PRESSURE: 582600 383.498 189.93 -138.197 189.93 -207.3 55.384 -138.197 55.3837 148.505 GPRESSURE: 582600 384.176 168.795 -264.293 81.6588 -131.583 17.9943 -134.129 58.538 175.523 PRESSAVG: 582600 74.5578 17.7726 -0.488007 17.7725 16.5065 -2.50941 -0.488071 -2.50945 -61.3414 GPRESSAVG: 582600 72.963 18.9539 0.837806 18.3209 17.8971 -3.74491 -3.36314 -3.18477 -60.9056 TIMING: 582600 CPU: 1691.86, 0.00290718/step Wall: 1691.86, 0.00290718/step, 3.56727 hours remaining, 204.148438 MB of memory in use. ENERGY: 582600 737.2365 2054.4519 1987.0686 125.4618 -206038.6315 17995.6647 0.0000 0.0000 34230.7786 -148907.9694 298.9459 -183138.7480 -148812.6991 299.8115 108.2342 142.7052 557918.7293 9.9076 9.9848 PRESSURE: 582800 -101.52 90.8558 -79.4943 90.8552 -87.473 36.6165 -79.4937 36.6144 47.3404 GPRESSURE: 582800 -16.2064 60.3491 13.2992 120.143 -52.2006 6.58778 -154.417 -7.26067 27.8583 PRESSAVG: 582800 60.4457 62.2392 -18.3051 62.2392 26.3157 1.00841 -18.3051 1.00849 -19.8748 GPRESSAVG: 582800 60.5005 61.0464 -16.2687 60.5726 25.8102 1.25402 -17.5758 3.20535 -18.9993 TIMING: 582800 CPU: 1692.44, 0.00289918/step Wall: 1692.44, 0.00289918/step, 3.5573 hours remaining, 204.148438 MB of memory in use. ENERGY: 582800 756.6529 2083.8388 1959.5717 120.0499 -205607.9525 17538.3142 0.0000 0.0000 34338.2774 -148811.2476 299.8847 -183149.5250 -148711.8397 299.7816 -47.2177 -13.5162 557110.7917 22.2955 22.4371 PRESSURE: 583000 -203.863 -138.682 -134.343 -138.68 -80.6171 1.86175 -134.342 1.86246 -213.004 GPRESSURE: 583000 -213.695 -91.4879 -103.482 -207.248 49.9862 -14.2359 -145.976 17.2056 -228.107 PRESSAVG: 583000 14.9592 -17.8158 -15.865 -17.8156 -16.7409 67.8243 -15.865 67.8244 -1.42621 GPRESSAVG: 583000 16.3222 -17.5344 -17.6567 -17.1057 -15.22 68.0749 -15.6326 66.5274 -4.12312 TIMING: 583000 CPU: 1693.02, 0.00292713/step Wall: 1693.02, 0.00292713/step, 3.59142 hours remaining, 204.148438 MB of memory in use. ENERGY: 583000 762.7075 2097.5954 1979.4466 116.6668 -206098.8178 17655.2868 0.0000 0.0000 34472.8163 -149014.2984 301.0597 -183487.1147 -148920.4359 299.4467 -165.8282 -130.6053 559435.1702 -1.0693 -1.0070 PRESSURE: 583200 -103.284 72.2291 89.9397 72.2279 152.013 158.37 89.9397 158.369 340.024 GPRESSURE: 583200 -52.7983 109.564 17.5207 42.9421 202.611 71.013 95.4433 199.315 325.743 PRESSAVG: 583200 1.64199 -1.8972 -33.5801 -1.89718 5.36932 32.3304 -33.5801 32.3304 -31.1285 GPRESSAVG: 583200 1.24329 0.452568 -34.8289 -3.99747 4.99992 30.991 -31.5107 33.5728 -30.6585 TIMING: 583200 CPU: 1693.61, 0.00291434/step Wall: 1693.61, 0.00291434/step, 3.57557 hours remaining, 204.148438 MB of memory in use. ENERGY: 583200 719.9794 2050.3030 1963.8304 112.6442 -205911.4595 17760.1703 0.0000 0.0000 34234.2022 -149070.3300 298.9758 -183304.5322 -148977.9119 300.3224 129.5847 158.5186 557260.3538 -8.0391 -8.1384 PRESSURE: 583400 -138.245 60.6653 -38.3471 60.6646 -87.2496 -6.75533 -38.3476 -6.75453 -13.1179 GPRESSURE: 583400 -49.5783 -62.2214 -83.6968 119.136 -145.839 -6.97535 -33.3167 4.44683 69.1022 PRESSAVG: 583400 -12.7097 -12.5149 -28.1069 -12.5148 42.3431 -8.88514 -28.1069 -8.88507 -11.1267 GPRESSAVG: 583400 -13.5149 -15.2651 -25.7099 -9.72597 42.1108 -7.74797 -30.5097 -10.8007 -9.86993 TIMING: 583400 CPU: 1694.18, 0.00288741/step Wall: 1694.18, 0.00288741/step, 3.54237 hours remaining, 204.148438 MB of memory in use. ENERGY: 583400 746.4352 2091.2496 1987.6680 126.1181 -206092.4453 17850.4031 0.0000 0.0000 34217.4915 -149073.0799 298.8299 -183290.5714 -148976.7084 299.3885 -79.5376 -42.1051 558429.5345 6.1689 6.2420 PRESSURE: 583600 -209.323 -56.1219 -28.0295 -56.1225 169.557 43.3363 -28.0284 43.3376 -29.5755 GPRESSURE: 583600 -178.043 -3.26935 -97.0693 -71.6634 187.637 29.0513 -14.2148 102.151 7.96347 PRESSAVG: 583600 -61.5408 -3.41551 -19.9035 -3.4155 39.3669 -20.4277 -19.9035 -20.4276 19.3769 GPRESSAVG: 583600 -60.4579 -0.933384 -21.0923 -5.40438 39.0862 -20.667 -20.1309 -17.5481 18.3735 TIMING: 583600 CPU: 1694.76, 0.00289983/step Wall: 1694.76, 0.00289983/step, 3.55745 hours remaining, 204.148438 MB of memory in use. ENERGY: 583600 725.6106 2095.6487 1964.2704 122.2618 -205919.1250 17705.4604 0.0000 0.0000 34417.5197 -148888.3535 300.5768 -183305.8732 -148788.9672 299.7823 -23.1139 5.8527 558013.3709 -0.9323 -0.9994 PRESSURE: 583800 -214.671 41.3576 -93.7885 41.3573 1.2688 -82.1963 -93.7882 -82.1973 -289.586 GPRESSURE: 583800 -245.546 26.5945 -23.1006 36.0969 64.2917 -176.684 -168.336 -86.8708 -223.059 PRESSAVG: 583800 -19.0625 29.1075 -15.1046 29.1074 64.2182 1.95618 -15.1046 1.95622 -3.74687 GPRESSAVG: 583800 -18.6279 29.1562 -13.4113 30.2579 64.478 2.55908 -14.5992 0.103742 -3.50732 TIMING: 583800 CPU: 1695.34, 0.00289628/step Wall: 1695.34, 0.00289628/step, 3.55293 hours remaining, 204.148438 MB of memory in use. ENERGY: 583800 755.3070 2032.7830 1950.4884 98.7879 -205641.3705 17504.8428 0.0000 0.0000 34318.8181 -148980.3432 299.7148 -183299.1614 -148881.0302 300.4613 -167.6628 -134.7712 558567.5641 13.8029 14.1143 PRESSURE: 584000 -145.974 -2.78092 133.973 -2.78211 50.3557 171.819 133.972 171.819 184.903 GPRESSURE: 584000 -19.7611 -83.9004 185.607 -25.7582 51.6099 82.6884 84.6255 260.46 164.893 PRESSAVG: 584000 -30.6577 -52.3435 -29.138 -52.3436 46.9302 -20.757 -29.138 -20.7571 0.129511 GPRESSAVG: 584000 -31.8431 -54.5781 -32.0833 -53.881 47.2125 -25.6322 -26.2705 -19.3402 2.02459 TIMING: 584000 CPU: 1695.93, 0.0029114/step Wall: 1695.93, 0.0029114/step, 3.57132 hours remaining, 204.148438 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: 584000 711.6000 2029.7997 1981.2607 104.5428 -205792.8917 17573.0743 0.0000 0.0000 34393.0151 -148999.5991 300.3628 -183392.6142 -148901.1851 300.0195 29.7617 65.5804 555746.3696 5.4674 5.7980 PRESSURE: 584200 -342.838 12.6711 113.623 12.669 138.346 77.9017 113.623 77.9019 -137.859 GPRESSURE: 584200 -295.218 20.0161 71.5695 32.4857 164.33 112.452 104.537 61.0518 -102.36 PRESSAVG: 584200 -14.87 -0.474041 2.72379 -0.474107 17.3848 -4.08157 2.7238 -4.08168 -16.8617 GPRESSAVG: 584200 -13.9368 -0.516631 3.82486 0.754674 16.8927 0.741333 0.329569 -5.88254 -17.7175 TIMING: 584200 CPU: 1696.51, 0.00290087/step Wall: 1696.51, 0.00290087/step, 3.55824 hours remaining, 204.148438 MB of memory in use. ENERGY: 584200 717.3929 2077.9957 1993.5810 108.5975 -206198.0189 17770.0164 0.0000 0.0000 34534.3592 -148996.0762 301.5971 -183530.4354 -148898.5436 299.7522 -114.1167 -77.7493 558178.6234 -4.7823 -4.9205 LDB: ============= START OF LOAD BALANCING ============== 1699.98 LDB: ============== END OF LOAD BALANCING =============== 1699.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1699.98 LDB: ============= START OF LOAD BALANCING ============== 1700.27 LDB: Largest compute 4855 load 0.027933 is 23.8% of average load 0.117563 LDB: Average compute 0.001724 is 1.5% of average load 0.117563 LDB: TIME 1700.27 LOAD: AVG 0.117563 MAX 0.174769 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.98 MB LDB: TIME 1700.27 LOAD: AVG 0.117563 MAX 0.174769 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.98 MB LDB: TIME 1700.27 LOAD: AVG 0.117563 MAX 0.174769 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.98 MB LDB: ============== END OF LOAD BALANCING =============== 1700.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1700.28 PRESSURE: 584400 6.76571 -99.4834 -67.6577 -99.4832 289.201 31.4932 -67.6579 31.4946 96.0929 GPRESSURE: 584400 27.1365 -110.786 -50.4658 -41.1688 268.067 57.0859 -6.23342 30.6759 213.211 PRESSAVG: 584400 -25.277 -16.5753 42.5327 -16.5752 44.916 -25.7626 42.5327 -25.7624 0.678778 GPRESSAVG: 584400 -25.0819 -16.2441 43.129 -17.0463 45.2474 -26.2218 42.5268 -24.7166 0.351063 TIMING: 584400 CPU: 1697.1, 0.00297851/step Wall: 1697.1, 0.00297851/step, 3.65331 hours remaining, 204.511719 MB of memory in use. ENERGY: 584400 751.6093 2035.7899 1968.9041 110.8151 -206358.2189 17998.8284 0.0000 0.0000 34283.1995 -149209.0725 299.4037 -183492.2720 -149112.0621 299.3578 130.6865 169.4714 557205.9837 6.7726 6.8388 PRESSURE: 584600 -190.338 -9.62703 -61.1746 -9.62705 -65.386 45.8821 -61.1747 45.882 -116.055 GPRESSURE: 584600 -146.926 -81.2452 -130.151 62.9942 -15.6031 64.1407 -22.9603 55.7498 -116.31 PRESSAVG: 584600 -40.2583 -23.2291 -45.9159 -23.2292 27.0346 -17.6195 -45.916 -17.6195 30.8022 GPRESSAVG: 584600 -41.1262 -22.1836 -46.2875 -21.5096 27.2307 -15.8115 -45.0857 -18.8061 32.0936 TIMING: 584600 CPU: 1697.68, 0.00288567/step Wall: 1697.68, 0.00288567/step, 3.53928 hours remaining, 204.789062 MB of memory in use. ENERGY: 584600 762.1493 2132.4715 1973.1759 116.1701 -205983.0366 17655.6612 0.0000 0.0000 34318.9784 -149024.4302 299.7162 -183343.4086 -148928.0565 299.0095 -123.9263 -92.9464 557902.5327 5.8595 6.0661 PRESSURE: 584800 -312.541 -39.765 49.2034 -39.7658 -43.0386 -55.8418 49.2039 -55.8405 221.796 GPRESSURE: 584800 -286.733 -74.3203 64.0957 -20.5445 63.3228 -70.9496 -22.6379 4.73385 195.752 PRESSAVG: 584800 14.89 -46.1845 -19.7554 -46.1844 25.4494 -53.0692 -19.7555 -53.0692 -97.7737 GPRESSAVG: 584800 16.0987 -46.0486 -18.8036 -47.3548 26.0228 -54.6271 -20.2948 -51.5398 -98.6736 TIMING: 584800 CPU: 1698.26, 0.00292714/step Wall: 1698.26, 0.00292714/step, 3.58998 hours remaining, 204.789062 MB of memory in use. ENERGY: 584800 696.9237 2120.6402 1975.9153 114.3434 -205987.4769 17633.2765 0.0000 0.0000 34528.1885 -148918.1893 301.5433 -183446.3778 -148823.7974 299.6920 -44.5946 -9.2195 557433.5485 -19.1448 -18.8507 PRESSURE: 585000 128.807 -190.074 -145.813 -190.073 128.21 82.3407 -145.813 82.342 -107.865 GPRESSURE: 585000 155.73 -211.043 -145.267 -171.101 150.814 105.052 -181.505 67.8924 -49.3723 PRESSAVG: 585000 52.9216 18.6324 -7.64372 18.6324 31.5867 -13.4441 -7.64373 -13.4441 -68.9095 GPRESSAVG: 585000 53.0797 20.2746 -8.00296 15.4874 31.6507 -13.656 -9.4094 -14.1877 -68.6431 TIMING: 585000 CPU: 1698.85, 0.00290158/step Wall: 1698.85, 0.00290158/step, 3.55846 hours remaining, 204.789062 MB of memory in use. ENERGY: 585000 770.4319 2063.1849 1982.9584 116.0521 -206085.4761 17897.3557 0.0000 0.0000 34165.5474 -149089.9457 298.3762 -183255.4931 -149000.0353 299.9261 49.7176 85.7240 556715.5073 5.1996 5.3624 PRESSURE: 585200 11.8825 205.544 2.70241 205.543 -117.448 -197.39 2.70149 -197.39 -122.15 GPRESSURE: 585200 29.0788 244.71 -77.6002 156.22 -127.641 -141.171 7.60146 -193.059 -27.3879 PRESSAVG: 585200 2.58948 12.4491 18.538 12.4491 25.3024 6.0936 18.538 6.09362 -13.2543 GPRESSAVG: 585200 2.58233 8.88308 19.5116 16.5446 25.1749 5.51847 17.073 5.7272 -12.6358 TIMING: 585200 CPU: 1699.43, 0.00291267/step Wall: 1699.43, 0.00291267/step, 3.5719 hours remaining, 204.789062 MB of memory in use. ENERGY: 585200 736.9212 2048.2889 1986.9633 118.4901 -206268.7542 17785.6489 0.0000 0.0000 34450.7495 -149141.6924 300.8670 -183592.4419 -149049.1296 299.5757 -75.9051 -41.9832 557464.7280 4.8792 5.0405 PRESSURE: 585400 99.332 -25.7503 -22.9145 -25.7492 71.6919 77.3111 -22.9147 77.3112 275.475 GPRESSURE: 585400 116.38 -49.5603 -6.30311 -67.2411 95.2415 31.5767 -21.6329 97.3262 326.545 PRESSAVG: 585400 13.9401 4.93546 46.846 4.93546 38.0919 -38.3462 46.846 -38.3461 -68.7015 GPRESSAVG: 585400 13.3018 8.43624 43.8285 4.55097 38.5155 -38.0819 52.2325 -39.0408 -67.7001 TIMING: 585400 CPU: 1700.01, 0.00290708/step Wall: 1700.01, 0.00290708/step, 3.56489 hours remaining, 204.789062 MB of memory in use. ENERGY: 585400 740.8002 2061.2281 1975.6241 98.8409 -206362.8495 18119.9457 0.0000 0.0000 34282.2763 -149084.1343 299.3956 -183366.4106 -148984.0975 299.6158 148.8329 179.3891 557364.5712 -5.5565 -5.2943 PRESSURE: 585600 -145.421 -27.375 -87.9393 -27.3749 -19.17 -15.7469 -87.9385 -15.7484 -168.418 GPRESSURE: 585600 -118.215 -75.5844 -115.463 5.371 10.4086 -60.9511 -45.9706 -19.9288 -130.469 PRESSAVG: 585600 40.0485 14.7809 -6.91273 14.7809 -79.7067 -14.2709 -6.91271 -14.2709 36.132 GPRESSAVG: 585600 40.5241 11.9031 -5.66778 14.1129 -79.9581 -15.6509 -9.36239 -12.4598 36.2664 TIMING: 585600 CPU: 1700.6, 0.00293064/step Wall: 1700.6, 0.00293064/step, 3.59361 hours remaining, 204.789062 MB of memory in use. ENERGY: 585600 701.2379 2074.8356 1989.7679 121.0533 -205721.0990 17509.9962 0.0000 0.0000 34404.5996 -148919.6085 300.4639 -183324.2081 -148827.8792 299.6122 -111.0031 -79.4249 557444.9748 -1.1754 -1.0558 PRESSURE: 585800 11.1533 -125.664 196.475 -125.665 -53.1978 -199.621 196.475 -199.622 181.97 GPRESSURE: 585800 67.3032 -140.889 111.863 -65.0107 -10.916 -200.998 222.336 -130.83 185.306 PRESSAVG: 585800 -32.7431 -32.7825 -16.2293 -32.7826 12.1072 17.0542 -16.2293 17.0542 23.1421 GPRESSAVG: 585800 -32.5395 -30.3294 -16.2322 -33.0758 12.3976 17.2252 -15.6508 15.5926 22.5362 TIMING: 585800 CPU: 1701.18, 0.00292687/step Wall: 1701.18, 0.00292687/step, 3.58883 hours remaining, 204.789062 MB of memory in use. ENERGY: 585800 716.6955 2055.8523 1951.9792 105.2044 -205912.6702 17750.2745 0.0000 0.0000 34113.6756 -149218.9887 297.9232 -183332.6643 -149122.0083 299.3227 46.6419 80.5643 556740.8984 0.8354 0.7981 PRESSURE: 586000 -151.086 -17.3416 -121.214 -17.3427 -7.67081 7.64404 -121.214 7.64473 -173.13 GPRESSURE: 586000 -137.804 16.2323 -105.283 -58.5806 11.4199 56.2136 -111.688 32.8856 -119.724 PRESSAVG: 586000 -19.2293 -5.59708 18.0694 -5.59713 37.943 2.29487 18.0695 2.29496 -3.07246 GPRESSAVG: 586000 -19.3449 -6.84435 18.5299 -3.74533 38.1745 3.13592 16.7968 1.30134 -3.82586 TIMING: 586000 CPU: 1701.76, 0.00291388/step Wall: 1701.76, 0.00291388/step, 3.57274 hours remaining, 204.796875 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: 586000 740.5450 2060.4881 1976.6387 114.3967 -205723.4536 17597.0371 0.0000 0.0000 34136.1833 -149098.1647 298.1198 -183234.3480 -148997.5972 298.4912 -110.6288 -82.0360 558360.0330 5.2137 5.0012 PRESSURE: 586200 -83.5027 138.374 77.2172 138.373 -118.449 50.2253 77.2154 50.2241 27.8778 GPRESSURE: 586200 -48.0536 79.4981 158.249 166.333 -122.738 42.0713 -1.53771 23.3684 100.452 PRESSAVG: 586200 -55.3156 17.5981 13.0887 17.5981 22.4357 39.8155 13.0887 39.8155 -11.3056 GPRESSAVG: 586200 -54.5029 16.9169 11.0523 15.9426 21.839 41.1902 14.4781 38.8084 -11.0449 TIMING: 586200 CPU: 1702.35, 0.00291998/step Wall: 1702.35, 0.00291998/step, 3.58006 hours remaining, 204.796875 MB of memory in use. ENERGY: 586200 745.2583 2119.7469 1961.9946 113.0435 -205848.8408 17709.6392 0.0000 0.0000 34069.8100 -149129.3485 297.5401 -183199.1584 -149041.0284 299.2043 -58.0245 -23.4463 557587.8259 -14.7285 -14.5696 PRESSURE: 586400 -185.104 78.1671 140.469 78.1669 36.5113 30.74 140.47 30.7381 69.5308 GPRESSURE: 586400 -112.152 14.0395 102.144 60.489 35.5999 30.9831 217.869 42.8813 108.419 PRESSAVG: 586400 -13.0391 10.2766 33.8446 10.2767 -58.7019 53.5107 33.8446 53.5108 80.2094 GPRESSAVG: 586400 -13.2671 9.87448 35.4496 11.3076 -58.8147 52.3792 34.7509 55.1178 80.3629 TIMING: 586400 CPU: 1702.93, 0.00292406/step Wall: 1702.93, 0.00292406/step, 3.58489 hours remaining, 204.796875 MB of memory in use. ENERGY: 586400 769.1966 2036.3717 1991.4548 115.4622 -205831.3820 17676.9445 0.0000 0.0000 34271.9113 -148970.0409 299.3051 -183241.9522 -148870.0913 299.8616 -26.3541 10.6223 558337.2011 2.8228 2.7604 PRESSURE: 586600 50.8756 121.863 -44.8218 121.864 -25.6366 78.8027 -44.8209 78.802 -329.908 GPRESSURE: 586600 58.8602 96.6924 -158.774 154.074 18.2056 52.718 -21.9264 105.076 -272.892 PRESSAVG: 586600 61.814 50.1503 -10.85 50.1503 16.2144 45.5355 -10.8499 45.5355 -66.586 GPRESSAVG: 586600 62.4801 50.5179 -12.1651 49.4546 15.7135 43.1983 -12.1091 47.9079 -66.2888 TIMING: 586600 CPU: 1703.52, 0.00294144/step Wall: 1703.52, 0.00294144/step, 3.60604 hours remaining, 204.796875 MB of memory in use. ENERGY: 586600 752.8047 2130.8225 1963.5139 98.6938 -205842.3846 17629.6656 0.0000 0.0000 34285.7940 -148981.0901 299.4264 -183266.8841 -148875.4451 299.8689 -101.5563 -65.2755 559144.0128 3.8142 3.9683 PRESSURE: 586800 -30.2163 -164.636 -50.4447 -164.636 -381.398 40.0334 -50.4442 40.0337 -124.022 GPRESSURE: 586800 -11.242 -180.6 -15.2335 -134.155 -374.075 45.7436 -52.4641 58.1713 -63.0527 PRESSAVG: 586800 -2.27357 -47.8222 -36.3858 -47.8221 3.32946 31.3784 -36.3859 31.3783 1.86555 GPRESSAVG: 586800 -2.50184 -48.0821 -33.4765 -47.1294 4.78349 33.2583 -38.5919 29.4394 1.47247 TIMING: 586800 CPU: 1704.11, 0.0029447/step Wall: 1704.11, 0.0029447/step, 3.60988 hours remaining, 204.796875 MB of memory in use. ENERGY: 586800 776.8084 2067.4357 1983.9101 124.2203 -206002.4069 17723.8504 0.0000 0.0000 34278.2512 -149047.9307 299.3605 -183326.1819 -148946.8595 299.4779 -178.5454 -149.4565 558091.3645 0.9738 1.2514 PRESSURE: 587000 -182.973 -46.1658 -17.147 -46.1652 117.526 51.4219 -17.1472 51.4247 -120.793 GPRESSURE: 587000 -126.626 -108.02 -21.5431 -2.55705 121.882 -7.70611 -36.7575 51.3566 -90.1767 PRESSAVG: 587000 30.8611 7.05809 2.15004 7.05817 15.3033 33.6569 2.15012 33.657 -47.0165 GPRESSAVG: 587000 30.0646 7.04683 0.431446 7.28506 15.9102 33.28 1.38077 33.0009 -47.3058 TIMING: 587000 CPU: 1704.7, 0.00295831/step Wall: 1704.7, 0.00295831/step, 3.6264 hours remaining, 204.796875 MB of memory in use. ENERGY: 587000 765.8181 2091.6685 1981.6006 114.9135 -206069.0860 17860.7587 0.0000 0.0000 34148.6222 -149105.7044 298.2284 -183254.3266 -149008.9501 299.4157 -62.0803 -31.6400 558620.5635 -0.2840 -0.4437 PRESSURE: 587200 -211.64 53.3613 -104.783 53.3628 -116.894 -74.5864 -104.782 -74.5874 20.3822 GPRESSURE: 587200 -156.808 82.9205 -59.333 13.7543 -130.224 -28.1458 -142.037 -113.3 66.6684 PRESSAVG: 587200 9.32437 -40.8584 5.92177 -40.8583 21.4562 -38.1056 5.9217 -38.1056 -15.8818 GPRESSAVG: 587200 9.22634 -40.7438 6.95019 -41.4657 22.2038 -35.5403 7.5278 -38.6179 -16.2613 TIMING: 587200 CPU: 1705.29, 0.00293198/step Wall: 1705.29, 0.00293198/step, 3.59396 hours remaining, 204.796875 MB of memory in use. ENERGY: 587200 732.9366 2114.5162 1977.1560 124.0138 -206349.7761 17805.1968 0.0000 0.0000 34428.4526 -149167.5041 300.6722 -183595.9567 -149072.9874 299.1484 -102.7174 -73.4544 558925.1851 4.9663 5.0563 PRESSURE: 587400 130.603 97.2246 -109.154 97.2261 191.09 110.535 -109.151 110.535 126.35 GPRESSURE: 587400 126.783 204.026 -76.5944 113.282 224.636 195.444 -114.53 37.7718 186.635 PRESSAVG: 587400 48.666 44.403 -17.4937 44.4029 -17.6284 -20.0578 -17.4937 -20.0578 -34.1044 GPRESSAVG: 587400 49.1198 45.1252 -18.7931 45.2495 -18.6822 -22.1486 -16.9137 -19.3178 -33.891 TIMING: 587400 CPU: 1705.88, 0.00297622/step Wall: 1705.88, 0.00297622/step, 3.64802 hours remaining, 204.796875 MB of memory in use. ENERGY: 587400 749.4055 2020.2134 1984.7285 103.9086 -206230.1083 18088.3354 0.0000 0.0000 34162.5588 -149120.9580 298.3501 -183283.5169 -149032.4105 298.6571 149.3476 179.3514 558393.4361 -1.0223 -1.1511 PRESSURE: 587600 434.569 66.6601 -10.8859 66.6586 156.892 -133.308 -10.8853 -133.311 239.951 GPRESSURE: 587600 444.353 64.6521 -61.7195 39.8266 221.631 -75.8037 -14.6993 -205.862 254.399 PRESSAVG: 587600 -39.6003 30.5577 18.9696 30.5578 15.6434 0.37438 18.9695 0.37438 12.178 GPRESSAVG: 587600 -40.255 30.6854 19.8405 31.1641 15.4181 1.65341 18.5903 -0.835315 13.4814 TIMING: 587600 CPU: 1706.47, 0.00294525/step Wall: 1706.47, 0.00294525/step, 3.60989 hours remaining, 204.796875 MB of memory in use. ENERGY: 587600 746.5374 2101.1663 1964.0915 110.1950 -206637.9501 18247.8478 0.0000 0.0000 34343.2359 -149124.8760 299.9280 -183468.1119 -149024.4775 299.0896 277.1374 306.7941 556036.5267 -3.9263 -3.7852 PRESSURE: 587800 159.417 93.5036 -88.8425 93.5038 120.107 19.6588 -88.8423 19.6587 -75.6621 GPRESSURE: 587800 169.013 88.819 -121.069 68.5239 165.37 43.7876 -88.5346 40.1311 -37.8185 PRESSAVG: 587800 87.0197 11.9744 -9.66788 11.9744 16.3595 -14.5212 -9.6678 -14.5212 -69.6334 GPRESSAVG: 587800 86.5656 10.9708 -10.5408 12.8143 17.2112 -13.8249 -8.23403 -15.4739 -69.9677 TIMING: 587800 CPU: 1707.05, 0.00291362/step Wall: 1707.05, 0.00291362/step, 3.57097 hours remaining, 204.796875 MB of memory in use. ENERGY: 587800 733.1336 2099.2687 1965.9849 115.8333 -206518.7122 17990.2470 0.0000 0.0000 34410.7300 -149203.5147 300.5175 -183614.2446 -149111.5417 299.0835 67.9540 98.8547 556938.2355 11.2486 11.2697 PRESSURE: 588000 135.55 -48.7566 -150.822 -48.7569 -230.931 -138.8 -150.822 -138.799 -90.9611 GPRESSURE: 588000 180.96 -53.4897 -151.565 28.3352 -173.495 -78.7497 -168.846 -161.167 -104.306 PRESSAVG: 588000 65.1825 11.6808 26.6219 11.6809 -38.2377 4.53563 26.6218 4.5357 -8.2129 GPRESSAVG: 588000 66.1446 11.2271 27.5838 10.4484 -38.9303 3.00551 25.6966 6.25226 -8.23216 TIMING: 588000 CPU: 1707.63, 0.00290105/step Wall: 1707.63, 0.00290105/step, 3.5554 hours remaining, 204.796875 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: 588000 760.1382 2125.0421 1962.0077 108.3435 -206337.0331 17867.8182 0.0000 0.0000 34093.1762 -149420.5071 297.7442 -183513.6833 -149325.5246 299.3142 -62.1138 -32.2801 557580.1670 6.2440 6.3274 PRESSURE: 588200 171.053 -104.281 -88.0281 -104.28 -207.493 -80.7764 -88.0281 -80.7766 36.0519 GPRESSURE: 588200 183.628 -133.222 -55.5585 -46.4106 -192.702 -69.2342 -82.0544 -101.769 96.3601 PRESSAVG: 588200 11.2181 3.75525 -70.3354 3.75531 -51.4637 -13.806 -70.3354 -13.8061 16.4261 GPRESSAVG: 588200 11.1031 3.50001 -70.6755 7.06399 -50.229 -14.4816 -70.0532 -14.5208 15.8322 TIMING: 588200 CPU: 1708.22, 0.00290246/step Wall: 1708.22, 0.00290246/step, 3.55696 hours remaining, 204.796875 MB of memory in use. ENERGY: 588200 714.6775 2107.6121 1977.8835 116.3393 -206299.7258 17819.6393 0.0000 0.0000 34135.4845 -149428.0896 298.1137 -183563.5741 -149334.4945 298.3922 -0.1293 29.0953 556766.0788 -7.9399 -7.7646 LDB: ============= START OF LOAD BALANCING ============== 1711.68 LDB: ============== END OF LOAD BALANCING =============== 1711.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1711.68 LDB: ============= START OF LOAD BALANCING ============== 1711.98 LDB: Largest compute 4827 load 0.029395 is 25.0% of average load 0.117546 LDB: Average compute 0.001732 is 1.5% of average load 0.117546 LDB: TIME 1711.98 LOAD: AVG 0.117546 MAX 0.176473 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.316 MB LDB: TIME 1711.98 LOAD: AVG 0.117546 MAX 0.176473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: TIME 1711.98 LOAD: AVG 0.117546 MAX 0.176473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1711.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1711.98 PRESSURE: 588400 -14.5769 59.1189 -92.7975 59.1191 63.9652 7.99386 -92.7973 7.99341 139.299 GPRESSURE: 588400 28.7224 97.747 -164.413 41.3583 94.9074 -6.15966 -68.7845 -7.07866 145.475 PRESSAVG: 588400 2.69947 -32.065 -27.7501 -32.0649 -46.7944 16.3436 -27.7501 16.3437 17.1857 GPRESSAVG: 588400 2.78897 -29.9283 -27.2733 -36.1436 -46.7083 17.985 -27.8771 16.7744 17.817 TIMING: 588400 CPU: 1708.81, 0.00296933/step Wall: 1708.81, 0.00296933/step, 3.63875 hours remaining, 204.246094 MB of memory in use. ENERGY: 588400 710.7195 2075.2410 1973.0814 112.9837 -206318.4072 17893.6189 0.0000 0.0000 34108.7477 -149444.0150 297.8802 -183552.7627 -149350.5861 298.1538 62.8958 89.7016 557419.6863 -8.9697 -8.7008 PRESSURE: 588600 -17.5178 -85.6412 -147.322 -85.6414 -131.2 26.8731 -147.321 26.8728 -440.977 GPRESSURE: 588600 -7.08327 -18.6799 -170.933 -116.543 -113.248 90.4418 -217.023 -60.5326 -375.224 PRESSAVG: 588600 -37.4648 -34.3249 -1.45323 -34.325 7.84453 -21.757 -1.45324 -21.7571 31.5653 GPRESSAVG: 588600 -36.372 -35.3691 -0.197523 -32.607 6.79661 -23.2135 -3.86599 -22.6727 31.2327 TIMING: 588600 CPU: 1709.4, 0.00294585/step Wall: 1709.4, 0.00294585/step, 3.60981 hours remaining, 204.519531 MB of memory in use. ENERGY: 588600 758.5483 2096.6795 2007.4269 110.4303 -206103.5682 17602.7830 0.0000 0.0000 34300.7725 -149226.9276 299.5572 -183527.7001 -149123.0342 298.5326 -196.5651 -165.1851 558316.9418 0.6483 0.5524 PRESSURE: 588800 -128.53 -12.4156 17.5605 -12.4171 -48.2343 -17.4002 17.5617 -17.4008 -141.528 GPRESSURE: 588800 -111.516 -53.568 17.3767 -30.8236 -49.9753 -184.607 105.09 137.33 -69.5541 PRESSAVG: 588800 46.6926 -38.6878 22.4664 -38.6878 27.6837 -39.3973 22.4663 -39.3972 -39.6056 GPRESSAVG: 588800 46.816 -38.4003 19.5736 -40.8018 27.6365 -38.4658 22.7222 -37.8833 -40.0205 TIMING: 588800 CPU: 1709.99, 0.00294209/step Wall: 1709.99, 0.00294209/step, 3.60504 hours remaining, 204.519531 MB of memory in use. ENERGY: 588800 728.7507 2092.8103 1967.9077 113.0197 -205915.8842 17610.7686 0.0000 0.0000 34261.0747 -149141.5525 299.2105 -183402.6272 -149051.1915 299.2294 -106.0975 -77.0150 559223.5362 11.5902 11.4773 PRESSURE: 589000 -257.695 -145.596 -17.1291 -145.596 83.5815 -39.8919 -17.129 -39.8926 48.4043 GPRESSURE: 589000 -202.84 -48.4578 55.5583 -151.109 161.17 -18.8863 4.72808 49.5964 21.4508 PRESSAVG: 589000 1.85158 -35.0209 36.2148 -35.0208 52.5798 -4.78551 36.2148 -4.78556 -11.853 GPRESSAVG: 589000 0.868125 -33.9368 38.8308 -33.5286 52.5845 -6.07993 34.4433 -5.87653 -10.9032 TIMING: 589000 CPU: 1710.57, 0.00289904/step Wall: 1710.57, 0.00289904/step, 3.55213 hours remaining, 204.519531 MB of memory in use. ENERGY: 589000 738.8561 2047.0579 1989.6137 116.7575 -205901.7938 17776.9269 0.0000 0.0000 34109.3701 -149123.2114 297.8856 -183232.5816 -149031.5378 299.6451 -41.9031 -6.7396 557888.7184 14.1928 14.1832 PRESSURE: 589200 -71.4591 -33.1441 -111.782 -33.1447 -4.49326 32.6988 -111.784 32.6991 81.3821 GPRESSURE: 589200 -45.4801 17.1355 -106.595 -89.9007 27.9215 51.8487 -116.872 -44.9385 116.486 PRESSAVG: 589200 -20.9344 -13.3091 13.4388 -13.3091 12.8718 17.9533 13.4389 17.9533 -15.9098 GPRESSAVG: 589200 -20.7535 -11.8487 10.0119 -14.0446 12.7906 18.6649 17.1599 18.7294 -15.891 TIMING: 589200 CPU: 1711.15, 0.0029004/step Wall: 1711.15, 0.0029004/step, 3.55364 hours remaining, 204.519531 MB of memory in use. ENERGY: 589200 770.8889 2038.3599 1962.7347 116.8759 -205787.3362 17751.2380 0.0000 0.0000 34064.9698 -149082.2691 297.4979 -183147.2389 -148991.5462 299.3619 1.8099 32.9756 557913.1043 -7.9908 -7.9513 PRESSURE: 589400 200.813 49.6917 -92.406 49.6913 49.0785 14.9888 -92.4064 14.9881 -60.1859 GPRESSURE: 589400 265.997 74.3389 -34.8045 -26.6258 94.5221 25.1297 -100.474 3.42589 -77.9513 PRESSAVG: 589400 61.6367 -52.645 27.5842 -52.645 -44.0199 26.129 27.5843 26.129 11.4031 GPRESSAVG: 589400 61.1358 -53.5034 30.6046 -50.9018 -42.928 27.0777 24.4046 25.114 10.3965 TIMING: 589400 CPU: 1711.73, 0.00291028/step Wall: 1711.73, 0.00291028/step, 3.56557 hours remaining, 204.722656 MB of memory in use. ENERGY: 589400 705.8489 2088.7293 1972.7723 122.7526 -206146.7804 17929.6570 0.0000 0.0000 34218.7918 -149108.2286 298.8412 -183327.0204 -149018.5962 299.2640 63.2353 94.1894 557301.3673 9.6733 9.5348 PRESSURE: 589600 34.9305 -60.5328 -24.1892 -60.5341 -371.644 -35.6324 -24.1886 -35.6339 -132.674 GPRESSURE: 589600 30.0626 -93.0088 -6.24562 -58.9556 -284.147 47.487 -87.7727 -23.7637 -119.801 PRESSAVG: 589600 99.4392 9.71946 12.4369 9.71948 -59.6299 -3.61406 12.4369 -3.61411 -36.2095 GPRESSAVG: 589600 98.8739 7.20641 9.58402 9.63381 -59.2371 -3.70118 13.7542 -4.51581 -36.1635 TIMING: 589600 CPU: 1712.31, 0.00288506/step Wall: 1712.31, 0.00288506/step, 3.53452 hours remaining, 204.722656 MB of memory in use. ENERGY: 589600 747.5444 2058.3133 1976.7874 122.3160 -205893.7098 17629.2081 0.0000 0.0000 34217.3938 -149142.1468 298.8290 -183359.5406 -149049.1958 298.7362 -156.4626 -124.6283 557694.0684 1.1999 1.1577 PRESSURE: 589800 -15.2963 -101.676 1.88995 -101.677 -147.463 -146.796 1.8891 -146.796 174.862 GPRESSURE: 589800 105.578 -63.1293 -27.2032 -105.436 -164.278 -98.433 -38.5994 -83.4793 177.538 PRESSAVG: 589800 29.9067 -18.2816 -9.58474 -18.2817 -64.3869 3.64872 -9.58483 3.64873 27.4299 GPRESSAVG: 589800 29.1255 -16.0271 -7.10979 -21.6461 -65.1139 3.4407 -12.6713 4.96987 29.4639 TIMING: 589800 CPU: 1712.88, 0.00288845/step Wall: 1712.88, 0.00288845/step, 3.53851 hours remaining, 204.722656 MB of memory in use. ENERGY: 589800 755.6254 2056.5519 2000.7358 117.5076 -205595.0480 17644.1480 0.0000 0.0000 34096.0303 -148924.4490 297.7691 -183020.4793 -148832.1736 299.7470 4.0342 39.6124 557168.2222 -2.3501 -2.1748 PRESSURE: 590000 145.91 121.903 -219.982 121.903 85.5203 10.5092 -219.981 10.5093 -178.743 GPRESSURE: 590000 162.941 147.356 -169.381 119.359 126.207 -30.5854 -293.251 79.6064 -142.605 PRESSAVG: 590000 55.2443 -14.2512 -27.1646 -14.2513 -19.6606 -8.97537 -27.1647 -8.97538 -26.1538 GPRESSAVG: 590000 56.5055 -13.6403 -29.1912 -12.6415 -19.6119 -10.8203 -26.7719 -6.88105 -27.0878 TIMING: 590000 CPU: 1713.47, 0.0029142/step Wall: 1713.47, 0.0029142/step, 3.56989 hours remaining, 204.722656 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: 590000 791.1407 2122.3190 1959.5771 108.3352 -205883.8220 17725.2828 0.0000 0.0000 34253.0511 -148924.1160 299.1404 -183177.1671 -148827.7323 299.6492 17.5624 48.8478 557375.5168 3.1433 3.2686 PRESSURE: 590200 -30.0829 77.8425 -1.42935 77.8428 -306.063 96.4646 -1.42886 96.4668 -117.416 GPRESSURE: 590200 -8.86045 49.6637 -53.9538 141.088 -273.794 130.399 36.3508 70.786 -79.2466 PRESSAVG: 590200 17.7865 -18.8591 -44.9693 -18.8592 48.3895 6.94778 -44.9693 6.94786 -49.8862 GPRESSAVG: 590200 17.6154 -19.3814 -44.4676 -18.2107 48.7681 9.34288 -43.8736 4.48173 -49.6858 TIMING: 590200 CPU: 1714.05, 0.00291053/step Wall: 1714.05, 0.00291053/step, 3.56524 hours remaining, 204.722656 MB of memory in use. ENERGY: 590200 751.5191 2075.4637 1965.6417 115.9427 -205629.3952 17571.8144 0.0000 0.0000 34214.9181 -148934.0955 298.8074 -183149.0136 -148835.9771 299.4406 -151.1873 -120.6337 559233.0720 5.4299 5.5659 PRESSURE: 590400 18.57 -0.0778744 -124.623 -0.0780473 -37.8432 11.2798 -124.623 11.2811 138.303 GPRESSURE: 590400 3.98575 -4.60556 -128.518 -152.49 -30.0338 50.9726 -126.77 -24.9232 244.701 PRESSAVG: 590400 -85.1921 10.0093 -9.80529 10.0092 5.8731 42.1361 -9.80526 42.1361 44.4539 GPRESSAVG: 590400 -86.4188 10.1593 -9.64385 9.70421 6.30827 41.3488 -8.84478 43.7654 45.0897 TIMING: 590400 CPU: 1714.63, 0.0029103/step Wall: 1714.63, 0.0029103/step, 3.56479 hours remaining, 204.722656 MB of memory in use. ENERGY: 590400 735.8518 2101.0668 1980.2612 121.0311 -206108.9458 17811.0111 0.0000 0.0000 34337.2565 -149022.4673 299.8758 -183359.7238 -148925.9233 298.9190 39.6765 72.8842 557726.8750 -11.6217 -11.6736 PRESSURE: 590600 113.135 34.1946 14.2046 34.1948 85.5607 -226.826 14.2037 -226.828 40.9504 GPRESSURE: 590600 219.105 88.8122 68.5757 -8.64226 80.988 -211.623 -9.8535 -319.071 41.0225 PRESSAVG: 590600 24.8242 -15.5669 41.8461 -15.567 -21.052 -36.0408 41.846 -36.0405 -13.4759 GPRESSAVG: 590600 26.6205 -15.4454 41.7108 -16.7494 -21.2612 -36.5127 41.3959 -36.8661 -14.6211 TIMING: 590600 CPU: 1715.21, 0.0029017/step Wall: 1715.21, 0.0029017/step, 3.5541 hours remaining, 204.722656 MB of memory in use. ENERGY: 590600 748.7774 2104.7138 1981.3959 116.2985 -205941.4693 17839.8818 0.0000 0.0000 34242.0763 -148908.3257 299.0446 -183150.4020 -148812.7807 299.7793 79.8822 113.7052 557595.5651 -3.2346 -3.0873 PRESSURE: 590800 12.9901 69.5408 -43.0611 69.5408 174.909 35.8067 -43.0622 35.8062 -206.218 GPRESSURE: 590800 84.6947 134.115 -29.554 138.216 143.078 -65.5268 -38.0362 146.806 -156.877 PRESSAVG: 590800 -15.7571 -34.9736 27.3262 -34.9736 34.5096 -21.0161 27.3262 -21.016 -39.0024 GPRESSAVG: 590800 -15.7661 -34.2711 27.124 -34.8133 34.7913 -19.467 27.6999 -21.1062 -39.206 TIMING: 590800 CPU: 1715.79, 0.00288179/step Wall: 1715.79, 0.00288179/step, 3.52955 hours remaining, 204.722656 MB of memory in use. ENERGY: 590800 762.2371 2048.9801 1963.5786 122.1047 -205765.4533 17676.3810 0.0000 0.0000 34245.8703 -148946.3014 299.0777 -183192.1717 -148845.8500 300.1202 -6.1063 23.6321 556353.9264 -6.7500 -6.7269 PRESSURE: 591000 -83.3812 -10.0231 84.2908 -10.0216 -161.773 -101.299 84.2889 -101.301 69.9418 GPRESSURE: 591000 -111.441 -55.0859 52.0714 -18.8244 -55.1735 -98.9514 82.1709 -184.015 103.573 PRESSAVG: 591000 -17.307 -32.2143 -12.1207 -32.2144 80.7374 41.9168 -12.1207 41.9167 -36.934 GPRESSAVG: 591000 -18.5032 -33.7607 -10.7199 -31.7067 80.7485 38.2569 -12.7444 42.8044 -35.6531 TIMING: 591000 CPU: 1716.36, 0.00288957/step Wall: 1716.36, 0.00288957/step, 3.53892 hours remaining, 204.722656 MB of memory in use. ENERGY: 591000 760.8747 2102.9428 1984.6787 122.9007 -206011.1670 17757.8961 0.0000 0.0000 34323.0126 -148958.8614 299.7514 -183281.8740 -148857.5512 299.4841 -58.4042 -21.0136 557446.2123 8.8321 8.8641 PRESSURE: 591200 -108.354 143.299 138.226 143.3 236.907 83.9254 138.226 83.9249 -73.17 GPRESSURE: 591200 -41.2807 124.015 100.375 113.303 214.283 119.282 110.428 68.9173 -19.9543 PRESSAVG: 591200 22.4737 8.12118 26.0454 8.12117 60.0631 -24.2858 26.0453 -24.286 -41.9933 GPRESSAVG: 591200 25.3457 10.1035 25.0435 6.58747 57.7221 -21.4955 25.569 -25.2827 -42.0631 TIMING: 591200 CPU: 1716.95, 0.00290733/step Wall: 1716.95, 0.00290733/step, 3.56051 hours remaining, 204.722656 MB of memory in use. ENERGY: 591200 742.1031 2081.9140 1964.3121 132.1486 -205885.8626 17707.7619 0.0000 0.0000 34469.5173 -148788.1057 301.0309 -183257.6230 -148688.3889 300.1595 18.4611 51.0158 557347.4546 13.5145 13.6682 PRESSURE: 591400 37.0523 154.72 -12.8026 154.718 -106.736 20.1662 -12.8028 20.1658 -30.6903 GPRESSURE: 591400 62.6636 162.356 111.823 38.8897 -12.5185 -11.0242 13.4101 11.1921 -44.1024 PRESSAVG: 591400 37.903 47.9096 46.7585 47.9095 13.1209 -33.1899 46.7585 -33.1899 9.05146 GPRESSAVG: 591400 38.3076 45.1992 47.8635 49.9681 13.064 -34.3918 47.1972 -32.4609 8.22805 TIMING: 591400 CPU: 1717.52, 0.00288861/step Wall: 1717.52, 0.00288861/step, 3.53742 hours remaining, 204.722656 MB of memory in use. ENERGY: 591400 742.6673 2122.3344 1961.3581 102.9867 -206261.1889 17756.6128 0.0000 0.0000 34628.7683 -148946.4613 302.4216 -183575.2296 -148850.1371 300.0202 -33.4579 2.0142 556677.1708 20.0251 19.8666 PRESSURE: 591600 60.5169 -78.2308 74.1842 -78.2327 196.118 5.37262 74.1855 5.37229 -273.561 GPRESSURE: 591600 105.999 -83.5965 17.1715 -105.769 237.882 -25.1969 188.907 -21.6575 -269.005 PRESSAVG: 591600 -21.5219 56.1061 27.4735 56.1062 -7.06207 35.5411 27.4736 35.541 -25.3224 GPRESSAVG: 591600 -22.6385 57.6819 27.0668 55.3579 -6.10613 37.236 27.6497 32.2459 -24.7145 TIMING: 591600 CPU: 1718.11, 0.0029055/step Wall: 1718.11, 0.0029055/step, 3.55794 hours remaining, 204.722656 MB of memory in use. ENERGY: 591600 757.6406 2109.8855 1970.3757 119.8815 -206034.5515 17671.5078 0.0000 0.0000 34305.9936 -149099.2667 299.6028 -183405.2603 -149002.4330 299.9646 -5.6422 24.9588 555982.4206 -17.9688 -17.8197 PRESSURE: 591800 281.847 31.7729 66.9572 31.7729 68.2068 -15.8404 66.9582 -15.8409 -135.315 GPRESSURE: 591800 291.023 88.6856 65.0884 0.0780915 93.5322 -76.9089 110.293 -43.7316 -62.3437 PRESSAVG: 591800 -49.0456 36.155 10.185 36.155 -17.5381 -49.9549 10.1851 -49.955 38.4601 GPRESSAVG: 591800 -48.2724 35.706 10.8585 37.1532 -17.0701 -50.3342 9.75866 -48.2681 37.2996 TIMING: 591800 CPU: 1718.69, 0.00292767/step Wall: 1718.69, 0.00292767/step, 3.58494 hours remaining, 204.722656 MB of memory in use. ENERGY: 591800 749.9126 2094.4882 1981.4189 118.7373 -206033.3998 17734.9132 0.0000 0.0000 34247.5086 -149106.4211 299.0920 -183353.9297 -149014.1981 299.9191 71.5798 107.4040 556888.1314 -9.3746 -9.3476 PRESSURE: 592000 31.8398 -125.043 -62.1346 -125.043 81.7951 -68.8442 -62.134 -68.8449 -21.5277 GPRESSURE: 592000 104.198 -24.3548 -34.9384 -120.053 11.8774 0.567703 -66.3377 7.12847 64.8175 PRESSAVG: 592000 67.1231 -9.92302 34.1014 -9.92303 5.2947 -23.635 34.1014 -23.6351 -53.7633 GPRESSAVG: 592000 65.8556 -10.2605 31.8824 -10.5348 4.68255 -25.5349 35.2633 -22.7934 -52.1288 TIMING: 592000 CPU: 1719.27, 0.00289387/step Wall: 1719.27, 0.00289387/step, 3.54339 hours remaining, 204.722656 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: 592000 726.8155 2124.1734 1969.3038 114.0878 -206330.1957 17788.3439 0.0000 0.0000 34325.9597 -149281.5115 299.7771 -183607.4712 -149179.1311 299.3243 30.7024 60.2977 556497.5307 6.2182 6.1365 PRESSURE: 592200 -112.791 -45.4372 116.593 -45.4374 -24.7737 105.816 116.593 105.815 180.923 GPRESSURE: 592200 -83.2716 -104.997 133.259 -30.2609 -6.76246 -22.8911 90.7465 177.095 223.416 PRESSAVG: 592200 30.3093 -40.0634 8.62799 -40.0633 -7.36138 -38.5183 8.62804 -38.5185 -17.009 GPRESSAVG: 592200 29.7105 -41.3798 9.89624 -38.2378 -6.05908 -36.153 6.91472 -38.933 -17.4086 TIMING: 592200 CPU: 1719.84, 0.00286935/step Wall: 1719.84, 0.00286935/step, 3.5132 hours remaining, 204.722656 MB of memory in use. ENERGY: 592200 724.7350 2144.7484 1961.1929 116.6896 -206516.5729 18001.1664 0.0000 0.0000 34356.2324 -149211.8081 300.0415 -183568.0405 -149117.7711 299.2262 14.4528 44.4608 558787.9144 1.9797 2.0809 LDB: ============= START OF LOAD BALANCING ============== 1723.31 LDB: ============== END OF LOAD BALANCING =============== 1723.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1723.31 LDB: ============= START OF LOAD BALANCING ============== 1723.59 LDB: Largest compute 4826 load 0.028509 is 24.2% of average load 0.117578 LDB: Average compute 0.001734 is 1.5% of average load 0.117578 LDB: TIME 1723.6 LOAD: AVG 0.117578 MAX 0.175785 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.051 MB LDB: TIME 1723.6 LOAD: AVG 0.117578 MAX 0.175785 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.051 MB LDB: TIME 1723.6 LOAD: AVG 0.117578 MAX 0.175785 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.051 MB LDB: ============== END OF LOAD BALANCING =============== 1723.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1723.6 PRESSURE: 592400 4.22612 -127.109 109.648 -127.109 -96.4722 -71.6061 109.646 -71.6068 -160.001 GPRESSURE: 592400 17.6201 -160.134 78.6042 -177.067 -51.5869 -95.6963 193.317 -139.289 -108.893 PRESSAVG: 592400 33.292 7.92266 -20.1086 7.92275 -3.49323 -20.0373 -20.1086 -20.0373 -36.5543 GPRESSAVG: 592400 34.8004 8.42431 -19.5812 7.93828 -4.31656 -20.7259 -19.2835 -19.329 -37.3648 TIMING: 592400 CPU: 1720.43, 0.00292144/step Wall: 1720.43, 0.00292144/step, 3.57682 hours remaining, 203.023438 MB of memory in use. ENERGY: 592400 778.1096 2150.7020 1965.2918 134.1232 -206499.4381 17949.2877 0.0000 0.0000 34376.6806 -149145.2432 300.2201 -183521.9238 -149042.4294 299.4070 -84.0822 -47.6198 557558.7944 -2.2518 -2.2936 PRESSURE: 592600 -122.581 -74.3525 -7.9089 -74.3529 183.637 -81.6298 -7.90804 -81.6295 129.249 GPRESSURE: 592600 -64.2208 -78.2399 -12.0959 -71.4101 187.791 -18.3597 44.0786 -79.3797 164.365 PRESSAVG: 592600 32.0531 -43.8453 -13.6438 -43.8452 -49.7034 -25.7582 -13.6437 -25.7583 19.441 GPRESSAVG: 592600 31.6224 -45.5481 -13.9158 -44.1316 -50.0617 -25.8306 -12.9703 -26.1455 19.6662 TIMING: 592600 CPU: 1721.01, 0.0029029/step Wall: 1721.01, 0.0029029/step, 3.55395 hours remaining, 203.023438 MB of memory in use. ENERGY: 592600 721.4111 2107.6088 1988.2197 121.2302 -206519.0589 17965.8095 0.0000 0.0000 34367.2541 -149247.5255 300.1378 -183614.7796 -149147.7304 298.8355 63.4349 95.9784 556981.1629 0.5969 0.4090 PRESSURE: 592800 -104.533 150.544 42.8744 150.545 48.5995 -74.4284 42.8746 -74.4296 77.9889 GPRESSURE: 592800 -108.885 167.053 61.5478 147.848 81.2953 -104.569 -45.1234 -75.6426 137.219 PRESSAVG: 592800 29.4585 55.866 -18.2065 55.8661 55.3299 -26.29 -18.2065 -26.2899 -50.9727 GPRESSAVG: 592800 27.0213 59.9928 -19.7714 54.8902 56.7397 -24.9713 -19.2018 -26.6314 -49.8817 TIMING: 592800 CPU: 1721.59, 0.0028994/step Wall: 1721.59, 0.0028994/step, 3.5495 hours remaining, 203.304688 MB of memory in use. ENERGY: 592800 751.9347 2106.8929 2002.1775 115.4741 -206295.5794 17831.6075 0.0000 0.0000 34282.4881 -149205.0045 299.3975 -183487.4926 -149111.7723 299.3092 7.3518 36.5430 557803.1819 11.2719 11.2931 PRESSURE: 593000 -130.507 125.486 85.6284 125.484 -71.4306 -70.8795 85.6294 -70.8788 16.1662 GPRESSURE: 593000 -69.2098 132.49 115.737 113.143 -22.5309 -130.79 70.723 -149.707 4.70978 PRESSAVG: 593000 27.8766 -18.5123 31.2648 -18.5124 -14.9676 12.3215 31.2648 12.3214 -15.7416 GPRESSAVG: 593000 29.7907 -18.8826 32.5373 -20.2069 -15.8726 8.95556 33.1415 12.6703 -16.7326 TIMING: 593000 CPU: 1722.17, 0.00290913/step Wall: 1722.17, 0.00290913/step, 3.56126 hours remaining, 203.304688 MB of memory in use. ENERGY: 593000 783.5894 2087.0081 1958.3195 108.1353 -206202.0240 17749.8748 0.0000 0.0000 34215.4909 -149299.6061 298.8124 -183515.0970 -149205.1902 299.6228 -61.9237 -29.0103 555834.7350 -0.9442 -0.9381 PRESSURE: 593200 -10.3889 -99.0999 79.3425 -99.0996 -3.54588 -207.48 79.3432 -207.48 -146.329 GPRESSURE: 593200 9.39444 -77.9696 74.604 -94.8894 -1.61139 -140.263 96.1163 -187.747 -76.8371 PRESSAVG: 593200 56.5651 -10.4939 34.4806 -10.4939 18.2478 -53.1539 34.4806 -53.1541 -31.8986 GPRESSAVG: 593200 55.5208 -12.6944 32.6543 -8.74827 18.7082 -51.9294 34.6014 -53.4905 -31.1442 TIMING: 593200 CPU: 1722.76, 0.00293018/step Wall: 1722.76, 0.00293018/step, 3.58687 hours remaining, 203.304688 MB of memory in use. ENERGY: 593200 722.9378 2094.9452 1988.6070 118.8384 -205950.2301 17603.1871 0.0000 0.0000 34279.5305 -149142.1840 299.3717 -183421.7146 -149046.5975 299.1518 -53.4214 -23.0180 557190.0023 14.3048 14.3616 PRESSURE: 593400 9.05692 15.6704 41.7434 15.6701 109.277 56.6315 41.7409 56.6315 -16.9528 GPRESSURE: 593400 60.0237 -70.1312 98.9118 18.6824 96.8886 -60.9862 53.3272 82.9296 43.4438 PRESSAVG: 593400 36.063 51.7583 -10.9676 51.7583 -1.35667 -40.473 -10.9677 -40.4732 -15.2088 GPRESSAVG: 593400 36.3889 51.7367 -10.6224 53.2657 -0.855071 -40.6507 -11.6633 -39.3975 -16.4391 TIMING: 593400 CPU: 1723.34, 0.00290145/step Wall: 1723.34, 0.00290145/step, 3.55153 hours remaining, 203.304688 MB of memory in use. ENERGY: 593400 752.3305 2116.3022 1967.2683 109.0261 -206227.5707 17938.3239 0.0000 0.0000 34361.0490 -148983.2707 300.0836 -183344.3196 -148888.2830 299.8739 33.7936 66.7854 558979.4767 6.4992 6.3649 PRESSURE: 593600 -236.973 -174.81 45.9566 -174.808 121.241 -29.794 45.956 -29.7928 -345.549 GPRESSURE: 593600 -199.102 -153.672 15.871 -206.178 101.202 -42.4055 146.113 -13.775 -260.028 PRESSAVG: 593600 21.8055 9.31469 7.05053 9.31468 39.7427 -5.00157 7.05065 -5.00151 -66.0032 GPRESSAVG: 593600 21.5803 9.66799 6.98756 7.01044 39.4991 -3.76568 7.73467 -5.19504 -65.6119 TIMING: 593600 CPU: 1723.92, 0.00291039/step Wall: 1723.92, 0.00291039/step, 3.56231 hours remaining, 203.507812 MB of memory in use. ENERGY: 593600 752.6295 2096.2550 1983.9107 118.0864 -205896.9032 17656.6315 0.0000 0.0000 34338.7386 -148950.6514 299.8887 -183289.3900 -148859.0842 299.5759 -153.7606 -119.3096 558874.2542 -1.4850 -1.5108 PRESSURE: 593800 -251.764 40.962 155.67 40.962 60.8752 -7.8775 155.67 -7.87773 -202.758 GPRESSURE: 593800 -205.101 61.1492 129.685 44.3204 89.3313 38.2354 77.5328 34.3406 -165.587 PRESSAVG: 593800 -15.474 -69.1249 17.294 -69.1249 36.6399 4.09574 17.294 4.09573 -53.9415 GPRESSAVG: 593800 -14.5133 -68.6829 17.0442 -67.8355 36.5327 4.27473 15.5843 1.886 -55.2632 TIMING: 593800 CPU: 1724.51, 0.00293389/step Wall: 1724.51, 0.00293389/step, 3.59092 hours remaining, 203.507812 MB of memory in use. ENERGY: 593800 746.5356 2084.0663 1962.4632 118.0758 -205820.2812 17772.9275 0.0000 0.0000 34330.1545 -148806.0584 299.8138 -183136.2129 -148702.8834 299.6073 -131.2156 -93.7857 559318.4051 -10.9252 -11.0813 PRESSURE: 594000 -182.161 120.739 -12.2308 120.738 -7.76813 -79.0489 -12.2314 -79.0482 -136.362 GPRESSURE: 594000 -188.14 89.8271 17.8845 47.085 14.3841 -63.2346 -11.7466 -106.444 -59.145 PRESSAVG: 594000 -2.00459 -35.8209 25.4152 -35.8209 16.2635 2.20831 25.4153 2.20833 -25.9251 GPRESSAVG: 594000 -3.33941 -36.0303 27.4103 -37.127 16.2565 0.660314 26.2516 6.16312 -25.2573 TIMING: 594000 CPU: 1725.09, 0.00290705/step Wall: 1725.09, 0.00290705/step, 3.55791 hours remaining, 203.507812 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: 594000 778.8014 2134.7563 1974.6217 111.4463 -205935.0343 17831.9380 0.0000 0.0000 34308.5163 -148794.9542 299.6248 -183103.4705 -148695.4085 300.2268 -108.7637 -77.6336 560422.5052 -3.8887 -4.1134 PRESSURE: 594200 -45.0081 68.5773 106.244 68.5774 13.0899 -109.537 106.245 -109.539 -77.6583 GPRESSURE: 594200 21.1937 133.151 112.456 87.4718 49.6313 -19.3658 39.2544 -113.465 -87.14 PRESSAVG: 594200 -20.3797 -12.7673 4.61164 -12.7673 69.2641 -11.7742 4.6116 -11.7741 -22.339 GPRESSAVG: 594200 -19.9431 -11.4986 3.16173 -13.4885 69.3386 -10.4818 4.6719 -14.7443 -22.7151 TIMING: 594200 CPU: 1725.67, 0.00291817/step Wall: 1725.67, 0.00291817/step, 3.57135 hours remaining, 203.507812 MB of memory in use. ENERGY: 594200 762.2766 2095.4638 1990.6501 103.5467 -206136.8723 17862.8802 0.0000 0.0000 34309.6994 -149012.3555 299.6351 -183322.0549 -148914.7662 300.1881 -36.5255 -5.4383 557719.6621 8.8485 8.8935 PRESSURE: 594400 -78.967 -64.8604 -67.5825 -64.8613 -7.158 -100.094 -67.5822 -100.093 -36.7442 GPRESSURE: 594400 -138.415 -46.3817 -64.208 -108.669 91.1836 -99.6938 -49.7264 -74.6155 32.5616 PRESSAVG: 594400 -60.7034 -14.126 9.09599 -14.1261 42.2975 -49.0677 9.09595 -49.0678 -6.76274 GPRESSAVG: 594400 -61.2173 -14.1434 9.60949 -12.4213 42.9611 -48.063 10.3437 -50.2393 -6.9262 TIMING: 594400 CPU: 1726.25, 0.0029078/step Wall: 1726.25, 0.0029078/step, 3.5585 hours remaining, 203.507812 MB of memory in use. ENERGY: 594400 763.8427 2137.5625 1950.2203 118.3200 -206450.0328 18014.0174 0.0000 0.0000 34294.0367 -149172.0333 299.4984 -183466.0700 -149069.8739 300.1060 -40.9564 -4.8898 558237.5179 -8.3895 -8.3941 PRESSURE: 594600 -2.62534 -71.9042 -93.2859 -71.9036 289.478 167.541 -93.2867 167.54 141.553 GPRESSURE: 594600 71.734 58.9297 -70.3453 -95.279 275.378 206.385 -34.6434 91.1062 169.396 PRESSAVG: 594600 -35.3217 9.01236 -9.42103 9.01232 -15.9789 -28.2312 -9.4211 -28.2312 43.7758 GPRESSAVG: 594600 -35.2244 8.39055 -10.1823 9.07461 -16.2905 -28.265 -10.3703 -27.3875 44.4833 TIMING: 594600 CPU: 1726.83, 0.00290072/step Wall: 1726.83, 0.00290072/step, 3.54968 hours remaining, 203.507812 MB of memory in use. ENERGY: 594600 744.5865 2057.8420 1989.0125 119.4055 -206592.1960 18207.5851 0.0000 0.0000 34251.6601 -149222.1044 299.1283 -183473.7645 -149130.8654 299.1666 142.8019 172.1694 557517.4626 -2.5083 -2.3439 PRESSURE: 594800 -88.2293 -51.4979 261.142 -51.497 -176.13 69.7592 261.143 69.7596 -282.185 GPRESSURE: 594800 -82.1949 -129.159 375.818 -22.4495 -172.742 109.922 203.399 72.1144 -207.054 PRESSAVG: 594800 -82.328 -54.0073 11.9982 -54.0072 25.5389 30.4836 11.9983 30.4835 56.6648 GPRESSAVG: 594800 -82.8042 -56.2013 13.342 -54.2543 26.0204 28.7414 11.7223 31.9227 56.7712 TIMING: 594800 CPU: 1727.41, 0.00290973/step Wall: 1727.41, 0.00290973/step, 3.56053 hours remaining, 203.507812 MB of memory in use. ENERGY: 594800 737.8970 2099.0156 1955.4745 104.2062 -205730.0654 17519.6643 0.0000 0.0000 34049.2410 -149264.5668 297.3605 -183313.8078 -149172.9599 298.8589 -182.1815 -153.9970 558723.5362 -0.0414 -0.0042 PRESSURE: 595000 37.0115 140.995 -53.2577 140.994 -57.0622 -114.16 -53.2597 -114.161 14.9656 GPRESSURE: 595000 16.1308 107.707 -29.7351 145.18 -7.29655 -148.673 -42.4418 -78.6659 84.9267 PRESSAVG: 595000 22.2438 23.1361 -6.34546 23.1362 -42.4165 -5.11771 -6.34536 -5.11769 32.0967 GPRESSAVG: 595000 22.8225 23.869 -7.08631 24.1649 -42.4772 -7.34327 -5.96141 -4.4689 31.8152 TIMING: 595000 CPU: 1728, 0.00292768/step Wall: 1728, 0.00292768/step, 3.58234 hours remaining, 203.507812 MB of memory in use. ENERGY: 595000 716.3230 2041.6915 1968.7509 119.8294 -206177.6279 17747.1749 0.0000 0.0000 34431.1264 -149152.7318 300.6956 -183583.8582 -149057.7927 299.0208 -1.6950 31.2536 556934.7512 3.9747 4.0535 PRESSURE: 595200 261.738 -38.7103 -69.6498 -38.7112 -72.8255 -228.518 -69.6499 -228.518 -205.072 GPRESSURE: 595200 246.081 10.2768 -8.55798 68.3231 21.8139 -133.068 -95.5732 -169.587 -188.988 PRESSAVG: 595200 -14.7117 5.76873 -23.4252 5.76874 12.7254 -11.6476 -23.4251 -11.6475 5.27499 GPRESSAVG: 595200 -15.3135 6.42375 -24.0187 4.40846 14.0384 -8.52998 -21.4736 -11.9598 4.72979 TIMING: 595200 CPU: 1728.59, 0.00293164/step Wall: 1728.59, 0.00293164/step, 3.58703 hours remaining, 203.507812 MB of memory in use. ENERGY: 595200 758.7535 2105.2542 1949.2742 115.9676 -206435.2841 17944.4832 0.0000 0.0000 34411.4079 -149150.1435 300.5234 -183561.5514 -149052.9468 299.3957 -5.3865 26.3023 557427.6810 1.0962 1.1515 PRESSURE: 595400 143.065 147.067 36.3369 147.067 91.0851 -149.495 36.3353 -149.493 305.266 GPRESSURE: 595400 265.556 93.9677 -17.8649 135.218 69.0164 -147.86 37.7001 -205.401 282.339 PRESSAVG: 595400 63.925 47.3104 4.96461 47.3104 1.30589 -64.1893 4.96456 -64.1893 -51.1898 GPRESSAVG: 595400 63.7384 46.4229 5.20483 47.5959 2.5568 -65.3389 4.74036 -62.2389 -51.7982 TIMING: 595400 CPU: 1729.17, 0.00292607/step Wall: 1729.17, 0.00292607/step, 3.58005 hours remaining, 203.507812 MB of memory in use. ENERGY: 595400 707.2466 2128.3820 1986.2945 110.5294 -206002.2385 17849.8761 0.0000 0.0000 34082.3830 -149137.5269 297.6499 -183219.9099 -149050.5652 299.8366 179.8051 205.6370 557145.5447 4.6804 4.8323 PRESSURE: 595600 144.019 -144.831 2.71795 -144.83 -310.757 126.085 2.71718 126.084 29.3946 GPRESSURE: 595600 131.535 -164.858 -45.3806 -129.521 -255.945 98.5524 72.6344 135.679 89.61 PRESSAVG: 595600 -2.72204 -1.18556 9.03859 -1.18562 21.4063 6.07769 9.03857 6.07776 -0.814562 GPRESSAVG: 595600 -1.07776 -1.46646 6.63945 0.118315 19.5715 6.24506 9.25359 3.31104 -0.366378 TIMING: 595600 CPU: 1729.75, 0.00291604/step Wall: 1729.75, 0.00291604/step, 3.56762 hours remaining, 203.507812 MB of memory in use. ENERGY: 595600 751.2762 2089.4728 1960.1307 111.2773 -206176.6478 17807.0318 0.0000 0.0000 34451.0035 -149006.4555 300.8692 -183457.4591 -148909.7642 299.9522 -45.7812 -11.6000 557440.9596 5.9566 6.0424 PRESSURE: 595800 -59.9751 -49.3273 29.19 -49.3264 -56.0451 -86.1757 29.1906 -86.1766 182.002 GPRESSURE: 595800 -45.2158 -127.322 -29.8161 -29.4859 -9.4421 -61.9495 54.4741 -88.4501 214.977 PRESSAVG: 595800 59.2504 -8.79034 3.05856 -8.79029 -61.9268 -32.2985 3.05852 -32.2985 10.3262 GPRESSAVG: 595800 58.6823 -8.22772 5.27616 -11.4158 -60.7282 -31.4822 2.9633 -31.5328 9.77677 TIMING: 595800 CPU: 1730.33, 0.00289068/step Wall: 1730.33, 0.00289068/step, 3.53643 hours remaining, 203.507812 MB of memory in use. ENERGY: 595800 734.0541 2059.0872 1986.3447 124.0062 -206162.6216 17906.5662 0.0000 0.0000 34376.7671 -148975.7962 300.2209 -183352.5633 -148879.0778 300.2475 21.9939 53.4396 558514.5641 2.5499 2.5770 PRESSURE: 596000 -125.262 49.1215 57.0986 49.1203 -178.082 25.5173 57.0977 25.5172 -264.465 GPRESSURE: 596000 -64.4898 89.3039 6.37152 38.2246 -130.145 83.1505 72.955 25.9527 -272.579 PRESSAVG: 596000 22.328 -49.7797 -3.88673 -49.7797 56.7334 16.5852 -3.88677 16.5851 -58.3511 GPRESSAVG: 596000 21.72 -48.0843 -3.73474 -49.8796 55.6761 14.9105 -4.37884 16.7636 -56.9749 TIMING: 596000 CPU: 1730.91, 0.00288916/step Wall: 1730.91, 0.00288916/step, 3.5344 hours remaining, 203.507812 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: 596000 749.2989 2102.1127 1976.7031 111.4135 -205911.0837 17618.4446 0.0000 0.0000 34182.8188 -149170.2921 298.5271 -183353.1110 -149077.2765 300.0294 -189.2695 -155.7379 558511.3650 6.9034 6.8071 PRESSURE: 596200 -108.515 171.668 -68.1318 171.668 126.16 -43.3548 -68.1318 -43.3563 230.473 GPRESSURE: 596200 -45.739 187.473 -40.0201 137.818 125.511 -30.0825 -47.5127 -53.494 257.96 PRESSAVG: 596200 -21.1875 54.1146 -6.07003 54.1146 46.3283 -71.2606 -6.07005 -71.2607 -60.3075 GPRESSAVG: 596200 -20.2944 52.1705 -8.82091 55.3326 46.0349 -71.0561 -5.21369 -70.0283 -60.83 TIMING: 596200 CPU: 1731.49, 0.00292299/step Wall: 1731.49, 0.00292299/step, 3.57563 hours remaining, 203.507812 MB of memory in use. ENERGY: 596200 778.7434 2074.2310 1977.6800 116.9002 -206409.3963 17946.7103 0.0000 0.0000 34145.1235 -149370.0079 298.1979 -183515.1314 -149280.8847 298.9152 82.7062 112.5775 558442.0986 -11.7222 -11.6965 LDB: ============= START OF LOAD BALANCING ============== 1734.97 LDB: ============== END OF LOAD BALANCING =============== 1734.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1734.97 LDB: ============= START OF LOAD BALANCING ============== 1735.26 LDB: Largest compute 4827 load 0.027910 is 23.7% of average load 0.117530 LDB: Average compute 0.001733 is 1.5% of average load 0.117530 LDB: TIME 1735.27 LOAD: AVG 0.11753 MAX 0.17859 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.164 MB LDB: TIME 1735.27 LOAD: AVG 0.11753 MAX 0.17859 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: TIME 1735.27 LOAD: AVG 0.11753 MAX 0.17859 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: ============== END OF LOAD BALANCING =============== 1735.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1735.27 PRESSURE: 596400 -357.927 -81.0887 52.058 -81.0887 -126.845 -127.33 52.0583 -127.33 -6.81528 GPRESSURE: 596400 -261.812 -29.5724 92.7008 -85.9503 -111.56 -119.092 -16.9259 -50.5636 -20.3442 PRESSAVG: 596400 -16.8257 -33.8893 -18.7099 -33.8893 24.39 -56.9086 -18.7098 -56.9086 -5.05504 GPRESSAVG: 596400 -16.6297 -32.7917 -15.2592 -35.58 24.6654 -57.1988 -20.8017 -56.3935 -5.85589 TIMING: 596400 CPU: 1732.1, 0.00301752/step Wall: 1732.1, 0.00301752/step, 3.6911 hours remaining, 203.101562 MB of memory in use. ENERGY: 596400 771.1126 2049.5402 1967.2661 111.7596 -205863.9483 17420.3829 0.0000 0.0000 34170.4878 -149373.3990 298.4194 -183543.8868 -149279.1153 298.9787 -163.8622 -131.2386 556612.5209 0.8364 0.7266 PRESSURE: 596600 -4.43051 -140.152 -80.1125 -140.152 71.5691 282.955 -80.1133 282.956 -214.131 GPRESSURE: 596600 103.144 -178.601 -147.835 -119.489 62.6681 303.194 -57.037 223.164 -206.609 PRESSAVG: 596600 -35.1967 61.6 39.9772 61.5999 38.2938 -1.34889 39.9772 -1.34905 31.5587 GPRESSAVG: 596600 -36.1143 60.997 38.4493 64.5765 38.0527 1.34846 40.4422 -2.50146 32.8295 TIMING: 596600 CPU: 1732.68, 0.00291647/step Wall: 1732.68, 0.00291647/step, 3.56733 hours remaining, 203.304688 MB of memory in use. ENERGY: 596600 721.1700 2126.5778 1964.2024 112.1300 -206139.1000 17574.2848 0.0000 0.0000 34147.7454 -149492.9896 298.2208 -183640.7350 -149399.7328 299.0740 -48.9974 -13.5989 557525.3053 11.5519 11.5893 PRESSURE: 596800 124.784 -19.3616 -56.4381 -19.3606 139.588 -48.6199 -56.4375 -48.6204 18.7846 GPRESSURE: 596800 106.66 17.5643 -68.0347 -14.2219 121.702 -17.6848 -76.2489 30.5175 153.462 PRESSAVG: 596800 25.6505 -34.8154 -40.5881 -34.8155 -17.0967 -6.68204 -40.588 -6.68201 17.076 GPRESSAVG: 596800 25.2255 -35.7443 -39.1744 -35.9319 -16.7592 -6.85198 -41.3276 -6.63101 16.83 TIMING: 596800 CPU: 1733.27, 0.00293505/step Wall: 1733.27, 0.00293505/step, 3.58989 hours remaining, 203.304688 MB of memory in use. ENERGY: 596800 753.7951 2127.9924 1955.5468 109.9214 -206801.4131 18131.5139 0.0000 0.0000 34248.7903 -149473.8532 299.1032 -183722.6436 -149382.8556 298.3802 94.3857 127.2746 557163.7071 8.5432 8.4321 PRESSURE: 597000 -39.5578 -53.837 -317.615 -53.8367 -228.643 -4.04391 -317.615 -4.04309 -212.504 GPRESSURE: 597000 34.4804 -82.1214 -287.252 10.6876 -215.547 84.8654 -288.754 -42.7193 -201.931 PRESSAVG: 597000 7.00958 -24.0389 -40.4054 -24.0389 -36.8742 -6.41276 -40.4054 -6.41285 25.1284 GPRESSAVG: 597000 7.31923 -24.0425 -39.9474 -24.2793 -37.832 -5.61642 -41.195 -8.54672 25.6311 TIMING: 597000 CPU: 1733.85, 0.00291443/step Wall: 1733.85, 0.00291443/step, 3.56451 hours remaining, 203.371094 MB of memory in use. ENERGY: 597000 768.7973 2109.9208 1970.2658 111.6945 -206323.0974 17764.2621 0.0000 0.0000 34118.8267 -149479.3302 297.9682 -183598.1569 -149388.1755 298.0831 -160.2350 -127.6659 557703.6368 -1.5787 -1.6272 PRESSURE: 597200 -139.07 -143.101 -173.992 -143.101 -132.186 -145.142 -173.992 -145.141 -86.3684 GPRESSURE: 597200 -104.832 -43.4537 -152.378 -125.792 -142.331 -150.917 -211.4 -152.509 -12.4747 PRESSAVG: 597200 -12.3693 17.5194 -52.925 17.5195 44.8907 -26.0549 -52.9251 -26.0548 -35.116 GPRESSAVG: 597200 -11.9069 18.5663 -53.6239 16.0724 44.8612 -28.2816 -51.9014 -25.334 -35.9071 TIMING: 597200 CPU: 1734.44, 0.00292159/step Wall: 1734.44, 0.00292159/step, 3.5731 hours remaining, 203.371094 MB of memory in use. ENERGY: 597200 710.7507 2150.5955 1964.6582 94.6702 -206278.0606 17708.2513 0.0000 0.0000 34129.0677 -149520.0671 298.0576 -183649.1348 -149419.8512 297.9210 -119.2081 -86.5458 557810.3562 -0.8649 -0.9843 PRESSURE: 597400 2.29008 -13.2676 -36.4885 -13.2669 -138.821 1.8673 -36.4875 1.86743 197.708 GPRESSURE: 597400 32.8598 -4.1343 59.1455 -57.6581 -122.688 67.9887 -50.9024 -17.5341 238.98 PRESSAVG: 597400 -53.0159 -56.9612 -19.7114 -56.9612 4.46227 -57.6514 -19.7114 -57.6514 11.7099 GPRESSAVG: 597400 -52.0346 -57.0172 -17.9823 -56.6038 3.65771 -56.6058 -21.0907 -57.0887 10.841 TIMING: 597400 CPU: 1735.02, 0.00292661/step Wall: 1735.02, 0.00292661/step, 3.57908 hours remaining, 203.371094 MB of memory in use. ENERGY: 597400 747.1745 2135.4816 1962.2762 123.1893 -206733.4326 18012.7825 0.0000 0.0000 34353.4338 -149399.0946 300.0171 -183752.5284 -149300.5596 298.3832 20.3926 49.7172 557799.3636 -12.2812 -12.5120 PRESSURE: 597600 -265.755 52.0974 68.6098 52.0972 13.0481 135.38 68.6089 135.379 7.33884 GPRESSURE: 597600 -206.71 -12.6077 89.8915 73.2089 40.5733 169.817 36.1371 97.6581 34.183 PRESSAVG: 597600 -44.394 31.6125 -8.90184 31.6124 -6.27405 -30.6133 -8.90186 -30.6134 29.1203 GPRESSAVG: 597600 -46.2911 30.4658 -10.5199 33.7429 -4.83699 -31.3633 -8.30342 -32.0045 29.8486 TIMING: 597600 CPU: 1735.61, 0.00292594/step Wall: 1735.61, 0.00292594/step, 3.5781 hours remaining, 203.371094 MB of memory in use. ENERGY: 597600 718.8617 2110.4106 1975.7449 119.2967 -206352.9758 17904.6830 0.0000 0.0000 34261.5651 -149262.4138 299.2148 -183523.9789 -149175.7349 299.1771 -81.7894 -43.9845 558580.8999 -7.1826 -7.0931 PRESSURE: 597800 247.163 36.9734 31.5314 36.9734 -10.1785 -25.5864 31.5303 -25.5865 6.25661 GPRESSURE: 597800 274.293 -2.82993 -10.8427 -12.2756 27.1853 -57.783 -8.16806 25.6858 45.5439 PRESSAVG: 597800 0.453226 17.7906 -11.7133 17.7907 27.6891 -8.0227 -11.7134 -8.02274 -10.0502 GPRESSAVG: 597800 0.652114 16.6265 -9.82457 14.2326 27.9544 -6.60895 -14.1441 -7.52558 -10.7124 TIMING: 597800 CPU: 1736.19, 0.00291101/step Wall: 1736.19, 0.00291101/step, 3.55968 hours remaining, 203.371094 MB of memory in use. ENERGY: 597800 729.9545 2116.7248 1958.0237 115.0802 -206610.8630 17954.5484 0.0000 0.0000 34449.9539 -149286.5775 300.8600 -183736.5314 -149189.8824 299.2795 81.0803 115.6740 556263.0540 6.0307 5.9647 PRESSURE: 598000 -236.53 40.8114 135.852 40.8127 -61.7932 177.24 135.853 177.239 -399.74 GPRESSURE: 598000 -164.991 70.7905 168.907 68.6615 -76.7591 188.614 60.466 147.841 -352.698 PRESSAVG: 598000 32.886 101.198 -37.3002 101.198 35.3261 48.0606 -37.3001 48.0607 -52.2011 GPRESSAVG: 598000 32.129 103.007 -36.7425 103.498 35.1899 47.7788 -35.0976 47.3399 -51.1977 TIMING: 598000 CPU: 1736.78, 0.00293832/step Wall: 1736.78, 0.00293832/step, 3.59292 hours remaining, 203.371094 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: 598000 744.8755 2145.3239 1979.0106 106.7944 -205978.0652 17478.1699 0.0000 0.0000 34295.8570 -149228.0341 299.5142 -183523.8910 -149131.1914 299.2151 -232.6876 -198.1493 557349.0854 5.3370 5.3737 PRESSURE: 598200 23.7277 -44.7941 -128.917 -44.7932 84.1737 153.449 -128.916 153.45 177.895 GPRESSURE: 598200 27.4989 -19.7198 -180.353 -216.636 108.139 158.847 -102.249 215.056 245.464 PRESSAVG: 598200 -24.2862 -53.3856 -20.6844 -53.3856 25.9216 61.7074 -20.6842 61.7073 -16.9451 GPRESSAVG: 598200 -23.6575 -52.1042 -21.6402 -57.1831 25.2109 60.8638 -19.7959 61.621 -17.2037 TIMING: 598200 CPU: 1737.36, 0.00291484/step Wall: 1737.36, 0.00291484/step, 3.56404 hours remaining, 203.371094 MB of memory in use. ENERGY: 598200 732.3868 2062.8864 1998.2505 116.3556 -206213.5494 17898.7322 0.0000 0.0000 34187.6916 -149217.2463 298.5696 -183404.9379 -149129.6935 298.9848 95.2654 127.0340 556501.3573 -5.1032 -5.2168 PRESSURE: 598400 -115.858 150.557 22.9265 150.559 -213.982 54.6572 22.9259 54.6573 167.058 GPRESSURE: 598400 -109.902 172.716 -104.063 160.018 -142.923 137.055 58.5226 55.4451 180.273 PRESSAVG: 598400 7.46705 -31.8488 35.9096 -31.8488 -72.1441 28.5093 35.9096 28.5092 75.1737 GPRESSAVG: 598400 6.55858 -35.3838 34.4036 -25.7024 -71.8384 28.7535 34.0532 28.7146 76.0061 TIMING: 598400 CPU: 1737.94, 0.00290788/step Wall: 1737.94, 0.00290788/step, 3.55537 hours remaining, 203.371094 MB of memory in use. ENERGY: 598400 751.0410 2111.1881 2002.4752 107.1026 -206079.7964 17710.8042 0.0000 0.0000 34142.9613 -149254.2239 298.1790 -183397.1852 -149155.0835 299.3002 -54.2605 -24.1839 556644.7953 3.4989 3.5754 PRESSURE: 598600 -173.142 -81.6008 106.518 -81.6001 -319.983 -44.1617 106.519 -44.1627 -34.507 GPRESSURE: 598600 -113.668 -81.5664 172.317 -151.559 -260.016 0.532572 81.3632 -62.7319 -38.1556 PRESSAVG: 598600 -23.28 -23.801 -28.3996 -23.8009 -33.3154 -12.6164 -28.3996 -12.6164 51.9295 GPRESSAVG: 598600 -22.2533 -22.5393 -26.8142 -27.0056 -33.2215 -14.2329 -27.3027 -9.68708 51.4055 TIMING: 598600 CPU: 1738.52, 0.00291255/step Wall: 1738.52, 0.00291255/step, 3.56092 hours remaining, 203.371094 MB of memory in use. ENERGY: 598600 776.3794 2125.2389 1956.5311 106.8491 -206084.2551 17686.6322 0.0000 0.0000 34216.6068 -149216.0175 298.8221 -183432.6243 -149119.0161 299.3803 -175.8773 -137.2796 555941.6546 -1.5553 -1.3564 PRESSURE: 598800 -171.274 -182.819 123.242 -182.819 -203.888 -209.21 123.242 -209.209 -236.573 GPRESSURE: 598800 -194.458 -185.072 210.303 -166.852 -158.238 -216.875 95.8788 -139.587 -167.375 PRESSAVG: 598800 56.8541 -78.6607 -14.0216 -78.6608 -47.2145 43.493 -14.0216 43.4931 -15.0971 GPRESSAVG: 598800 56.1084 -79.9799 -16.1158 -77.1909 -47.5338 43.9691 -13.1848 41.0186 -14.4692 TIMING: 598800 CPU: 1739.11, 0.00292498/step Wall: 1739.11, 0.00292498/step, 3.57595 hours remaining, 203.371094 MB of memory in use. ENERGY: 598800 741.5195 2100.7532 1970.7741 109.9434 -206212.1882 17571.3941 0.0000 0.0000 34496.7968 -149221.0070 301.2691 -183717.8038 -149119.5632 299.2941 -203.9116 -173.3571 557509.3303 -1.8192 -1.9649 PRESSURE: 599000 5.98796 202.679 148.897 202.68 -83.2175 125.897 148.898 125.897 -275.884 GPRESSURE: 599000 29.605 212.435 126.054 189.783 -19.4222 117.833 97.0645 111.838 -257.142 PRESSAVG: 599000 13.5045 8.02155 12.3154 8.02159 3.87431 59.6175 12.3153 59.6175 -12.195 GPRESSAVG: 599000 14.9664 9.57162 13.7877 6.36943 3.62048 60.4607 11.4849 60.9098 -13.3862 TIMING: 599000 CPU: 1739.69, 0.00290892/step Wall: 1739.69, 0.00290892/step, 3.55616 hours remaining, 203.371094 MB of memory in use. ENERGY: 599000 768.7472 2106.4140 1997.7684 117.8927 -206023.2316 17678.2168 0.0000 0.0000 34370.3754 -148983.8170 300.1650 -183354.1925 -148887.1266 300.2329 -117.7046 -82.3197 558316.2116 1.7279 1.7336 PRESSURE: 599200 -43.2255 -168.405 -25.576 -168.405 192.723 -104.139 -25.5765 -104.139 -6.60581 GPRESSURE: 599200 -5.4141 -212.084 -135.649 -190.278 225.109 -109.864 41.357 -64.6127 18.8859 PRESSAVG: 599200 6.96106 35.3398 -66.4936 35.3398 40.2146 -42.4836 -66.4936 -42.4836 -15.7132 GPRESSAVG: 599200 7.17153 33.2563 -67.7745 36.5259 39.8794 -42.5046 -65.4842 -45.0762 -15.2237 TIMING: 599200 CPU: 1740.27, 0.00292497/step Wall: 1740.27, 0.00292497/step, 3.57561 hours remaining, 203.371094 MB of memory in use. ENERGY: 599200 766.9146 2119.5952 1964.4396 115.7610 -206322.5280 17978.5543 0.0000 0.0000 34334.7425 -149042.5209 299.8538 -183377.2633 -148940.5191 299.6347 47.6306 79.5269 557808.5304 10.4875 10.6091 PRESSURE: 599400 -164.296 56.7389 68.6837 56.7389 -12.1889 7.90213 68.6828 7.9038 -378.298 GPRESSURE: 599400 -178.227 -26.6588 86.8108 36.5399 39.6531 60.8924 39.4471 16.6899 -311.585 PRESSAVG: 599400 -3.12085 -6.22796 28.2462 -6.22798 33.6902 -37.0999 28.2462 -37.1 -44.6198 GPRESSAVG: 599400 -4.38475 -2.44798 30.0466 -7.28768 34.0431 -38.8137 26.3593 -34.4338 -43.7504 TIMING: 599400 CPU: 1740.86, 0.00291504/step Wall: 1740.86, 0.00291504/step, 3.56331 hours remaining, 203.371094 MB of memory in use. ENERGY: 599400 790.7357 2122.2574 1982.3838 107.5001 -206023.7032 17709.5038 0.0000 0.0000 34368.7451 -148942.5774 300.1508 -183311.3225 -148839.5910 300.0583 -184.9275 -150.0532 559830.1971 -4.6835 -4.6973 PRESSURE: 599600 -101.045 18.7254 -87.7799 18.7255 116.786 163.106 -87.7808 163.105 124.805 GPRESSURE: 599600 -16.3418 -57.894 -90.4563 79.5623 123.662 30.7601 -72.5144 271.266 121.914 PRESSAVG: 599600 44.8813 -16.7513 -4.92829 -16.7513 -43.9995 11.364 -4.92844 11.3639 -23.8679 GPRESSAVG: 599600 44.4751 -18.8832 -4.82087 -15.976 -43.9428 11.8119 -3.93247 11.0208 -23.2466 TIMING: 599600 CPU: 1741.44, 0.0029188/step Wall: 1741.44, 0.0029188/step, 3.56775 hours remaining, 203.371094 MB of memory in use. ENERGY: 599600 693.0739 2134.8225 1974.5745 117.7473 -205835.5829 17768.1494 0.0000 0.0000 34191.2744 -148955.9409 298.6009 -183147.2153 -148854.8499 299.7829 46.8486 76.4117 557702.6177 -7.6620 -7.5714 PRESSURE: 599800 226.789 104.908 -40.0733 104.909 -55.9231 -126.94 -40.0716 -126.941 31.7681 GPRESSURE: 599800 269.768 96.0092 -46.4111 88.3331 -21.0827 -97.2252 -133.728 -194.496 59.1027 PRESSAVG: 599800 -9.008 -12.2959 -81.16 -12.2959 -7.83527 36.0738 -81.1601 36.0739 13.6805 GPRESSAVG: 599800 -8.32441 -10.3381 -82.7247 -11.7739 -7.92096 36.9631 -81.843 34.8478 13.3127 TIMING: 599800 CPU: 1742.03, 0.00292067/step Wall: 1742.03, 0.00292067/step, 3.56987 hours remaining, 203.371094 MB of memory in use. ENERGY: 599800 729.4738 2024.9941 1972.5056 113.6802 -205584.6047 17598.2376 0.0000 0.0000 34399.1803 -148746.5331 300.4166 -183145.7134 -148648.2919 300.3683 67.5447 102.5962 556940.2042 -1.0543 -0.9776 PRESSURE: 600000 4.0013 -4.12393 39.0236 -4.12359 -195.577 39.1479 39.0251 39.147 62.2378 GPRESSURE: 600000 76.0771 -9.8586 59.2578 22.9759 -167.43 -12.6412 -8.0367 13.9327 59.8113 PRESSAVG: 600000 45.2923 4.53322 -55.8484 4.53326 -11.5848 -14.1607 -55.8484 -14.1607 4.35252 GPRESSAVG: 600000 45.7385 2.17335 -55.2833 4.01349 -11.5817 -14.9824 -55.2293 -13.4133 3.6403 TIMING: 600000 CPU: 1742.61, 0.00292965/step Wall: 1742.61, 0.00292965/step, 3.58068 hours remaining, 203.371094 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: 600000 756.3994 2053.3895 2005.8493 119.0076 -205870.4453 17692.3303 0.0000 0.0000 34379.8824 -148863.5868 300.2481 -183243.4693 -148776.7153 299.8063 -43.1127 -10.5138 557762.0269 12.6867 12.5990 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.010 seconds, 203.371 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -263.08 -355.775 -70.279 -355.774 143.161 6.74997 -70.2793 6.74847 -128.051 GPRESSURE: 600200 -219.958 -261.43 -40.221 -331.144 173.673 64.4521 -59.0863 6.98707 -108.853 PRESSAVG: 600200 -50.0724 -26.4523 -17.2724 -26.4524 30.6141 -7.8314 -17.2725 -7.83142 26.4061 GPRESSAVG: 600200 -50.5588 -23.375 -17.6211 -26.6729 30.881 -6.09715 -16.757 -8.22688 27.033 TIMING: 600200 CPU: 1743.27, 0.00328389/step Wall: 1743.27, 0.00328389/step, 4.01346 hours remaining, 203.371094 MB of memory in use. ENERGY: 600200 739.5827 2050.6971 1993.7949 103.8271 -205724.6755 17469.9162 0.0000 0.0000 34439.6102 -148927.2472 300.7697 -183366.8574 -148826.0858 300.4628 -82.6569 -51.7123 557447.3249 2.3159 2.4517 LDB: ============= START OF LOAD BALANCING ============== 1746.74 LDB: ============== END OF LOAD BALANCING =============== 1746.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1746.74 LDB: ============= START OF LOAD BALANCING ============== 1747.03 LDB: Largest compute 4826 load 0.028748 is 24.5% of average load 0.117574 LDB: Average compute 0.001728 is 1.5% of average load 0.117574 LDB: TIME 1747.03 LOAD: AVG 0.117574 MAX 0.175307 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 1747.04 LOAD: AVG 0.117574 MAX 0.175307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.422 MB LDB: TIME 1747.04 LOAD: AVG 0.117574 MAX 0.175307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1747.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1747.04 PRESSURE: 600400 -147.315 1.42579 162.693 1.42602 307.32 8.92455 162.694 8.92355 39.8921 GPRESSURE: 600400 -91.7035 -27.2973 174.562 62.3684 301.659 -1.64055 122.942 89.9249 86.7881 PRESSAVG: 600400 20.7044 -14.5238 2.84553 -14.5238 65.7435 -63.1079 2.84552 -63.1079 -74.7016 GPRESSAVG: 600400 21.3166 -15.5626 5.02973 -15.359 64.7716 -64.0923 1.02437 -63.5191 -75.0758 TIMING: 600400 CPU: 1743.87, 0.00298683/step Wall: 1743.87, 0.00298683/step, 3.65024 hours remaining, 204.308594 MB of memory in use. ENERGY: 600400 724.9852 2096.9365 1982.1890 111.3301 -205740.2996 17690.2729 0.0000 0.0000 34190.0622 -148944.5236 298.5903 -183134.5859 -148850.8051 299.0816 66.6323 98.9144 558008.1077 3.9154 3.6708 PRESSURE: 600600 -165.704 -22.9565 12.7579 -22.9558 -212.074 35.8682 12.7588 35.8676 -162.266 GPRESSURE: 600600 -92.7295 47.3574 37.8926 -16.8303 -195.918 56.0334 31.6116 63.5701 -159.51 PRESSAVG: 600600 -48.2598 -24.9788 -1.59614 -24.9788 79.7425 17.2832 -1.59614 17.2832 -29.0152 GPRESSAVG: 600600 -47.5513 -26.2748 -4.18301 -24.1331 78.9819 17.3232 -1.68083 18.8073 -29.3546 TIMING: 600600 CPU: 1744.45, 0.00293848/step Wall: 1744.45, 0.00293848/step, 3.59098 hours remaining, 204.378906 MB of memory in use. ENERGY: 600600 692.3620 2085.7477 2003.5331 114.5223 -205269.6788 17136.6427 0.0000 0.0000 34261.0306 -148975.8404 299.2101 -183236.8710 -148876.4172 299.4736 -180.0145 -149.3859 559147.2299 0.8225 0.6920 PRESSURE: 600800 314.416 41.7689 -183.162 41.7698 143.635 55.9335 -183.163 55.9344 13.7031 GPRESSURE: 600800 381.541 98.5178 -161.369 32.3424 132.195 41.5768 -206.995 112.417 54.1107 PRESSAVG: 600800 4.96927 8.79914 -46.1266 8.79901 26.9011 -78.4768 -46.1265 -78.4767 -58.8925 GPRESSAVG: 600800 4.38854 8.37182 -44.6044 8.91466 27.418 -79.1286 -45.5225 -79.738 -58.741 TIMING: 600800 CPU: 1745.04, 0.00294816/step Wall: 1745.04, 0.00294816/step, 3.60266 hours remaining, 204.378906 MB of memory in use. ENERGY: 600800 728.7589 2116.0683 1964.2849 124.5835 -206412.6783 18005.9746 0.0000 0.0000 34433.5372 -149039.4709 300.7166 -183473.0082 -148936.8922 299.7773 157.2513 189.2823 557047.3427 -9.0074 -8.9782 PRESSURE: 601000 -30.3938 -190.513 -88.1206 -190.514 27.4989 -18.9783 -88.1218 -18.9789 -30.9177 GPRESSURE: 601000 24.6536 -101.927 -84.3839 -208.932 30.6126 -9.49346 -83.655 -27.4586 10.4034 PRESSAVG: 601000 71.5425 -53.4642 -17.0327 -53.4642 -31.7356 -5.56365 -17.0326 -5.56359 -29.1804 GPRESSAVG: 601000 71.5564 -53.057 -16.609 -54.4515 -31.4068 -6.02572 -17.6403 -4.89754 -30.277 TIMING: 601000 CPU: 1745.63, 0.0029477/step Wall: 1745.63, 0.0029477/step, 3.60192 hours remaining, 204.640625 MB of memory in use. ENERGY: 601000 736.4978 2060.0963 2002.5478 115.0447 -205840.9157 17767.3788 0.0000 0.0000 34305.5807 -148853.7697 299.5992 -183159.3503 -148756.0547 300.2428 -11.2709 21.8899 558231.9393 3.5422 3.2908 PRESSURE: 601200 -339.752 1.28095 -13.528 1.28142 -399.875 -62.7761 -13.5273 -62.7774 -177.372 GPRESSURE: 601200 -223.608 17.1465 47.8745 19.0018 -388.902 -0.672179 -3.41058 -130.478 -209.03 PRESSAVG: 601200 47.4456 -4.24703 -49.0557 -4.24702 -34.0316 -44.0086 -49.0557 -44.0086 19.2366 GPRESSAVG: 601200 48.009 -1.93066 -50.3424 -4.79444 -34.5722 -42.7068 -49.2894 -45.8385 19.325 TIMING: 601200 CPU: 1746.22, 0.00291687/step Wall: 1746.22, 0.00291687/step, 3.56409 hours remaining, 204.640625 MB of memory in use. ENERGY: 601200 743.2251 2120.0888 1984.0903 122.6443 -205753.0491 17325.8875 0.0000 0.0000 34531.5593 -148925.5537 301.5727 -183457.1130 -148824.9665 300.0536 -305.6662 -273.8464 558124.6527 10.8835 10.9206 PRESSURE: 601400 22.7708 -44.7186 -156.862 -44.72 -165.282 -129.585 -156.862 -129.585 168.33 GPRESSURE: 601400 89.0817 -50.4897 -149.861 -13.8621 -169.491 -156.192 -134.089 -101.258 191.705 PRESSAVG: 601400 19.0182 2.97053 -40.7182 2.97055 45.4359 -29.1789 -40.7182 -29.1789 -46.7471 GPRESSAVG: 601400 17.6279 -0.0709492 -41.9242 4.84626 45.2681 -28.4454 -38.9184 -28.6453 -45.1567 TIMING: 601400 CPU: 1746.8, 0.00292281/step Wall: 1746.8, 0.00292281/step, 3.57119 hours remaining, 204.925781 MB of memory in use. ENERGY: 601400 759.4348 2039.3118 1993.0084 107.6042 -205981.5555 17755.3290 0.0000 0.0000 34390.4260 -148936.4412 300.3401 -183326.8672 -148832.6851 300.2594 8.6063 37.0984 557125.5444 5.9024 5.9131 PRESSURE: 601600 13.0706 57.1783 -75.9333 57.1789 -314.744 -18.7416 -75.933 -18.7423 -305.932 GPRESSURE: 601600 -8.00196 8.54471 -1.48191 112.952 -284.998 -57.0827 -46.4746 -26.9428 -211.518 PRESSAVG: 601600 72.3288 -43.2161 -39.0936 -43.2161 -37.1176 8.93343 -39.0936 8.93343 -17.3055 GPRESSAVG: 601600 72.5941 -41.1361 -35.9549 -43.5796 -36.8454 8.21959 -40.7779 9.42492 -18.1146 TIMING: 601600 CPU: 1747.38, 0.00290276/step Wall: 1747.38, 0.00290276/step, 3.54652 hours remaining, 204.925781 MB of memory in use. ENERGY: 601600 762.3026 2071.1132 1971.7616 116.2951 -205487.4846 17394.4603 0.0000 0.0000 34347.1514 -148824.4004 299.9622 -183171.5518 -148720.5120 299.6209 -202.5353 -168.1727 558260.7716 5.9686 5.8780 PRESSURE: 601800 -62.633 -249.98 -8.78445 -249.981 190.847 -74.8842 -8.78468 -74.8843 30.4612 GPRESSURE: 601800 -20.8348 -52.4149 32.1902 -283.13 241.804 -74.3367 -92.7626 -145.161 41.0491 PRESSAVG: 601800 18.6528 -41.8786 -3.15454 -41.8786 -2.85038 -7.53268 -3.15463 -7.53269 -10.7993 GPRESSAVG: 601800 18.9047 -42.0767 -4.15241 -42.972 -3.17923 -6.58665 -2.41186 -6.42769 -10.734 TIMING: 601800 CPU: 1747.97, 0.00294994/step Wall: 1747.97, 0.00294994/step, 3.60401 hours remaining, 204.925781 MB of memory in use. ENERGY: 601800 737.1763 2044.4832 1988.7534 108.9659 -206225.9355 18001.5963 0.0000 0.0000 34339.0311 -149005.9292 299.8913 -183344.9603 -148902.8830 300.0996 52.8917 87.3393 558067.5636 1.6677 1.6638 PRESSURE: 602000 107.441 26.2696 -105.209 26.2685 136.042 -7.80855 -105.211 -7.81034 96.0425 GPRESSURE: 602000 103.004 40.1369 -166.562 -16.9244 181.3 -39.6337 -28.2295 66.7359 155.914 PRESSAVG: 602000 -25.3162 -15.5512 35.0591 -15.5512 51.6484 11.8598 35.0591 11.8597 -22.2348 GPRESSAVG: 602000 -25.9461 -13.1182 36.4507 -13.9525 52.2491 9.94211 33.679 10.9506 -22.8326 TIMING: 602000 CPU: 1748.55, 0.00290885/step Wall: 1748.55, 0.00290885/step, 3.55365 hours remaining, 204.925781 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: 602000 764.9669 2061.0120 1984.0585 127.4954 -206247.1513 18093.6949 0.0000 0.0000 34098.5721 -149117.3515 297.7913 -183215.9236 -149021.3693 299.6130 113.1751 146.7394 557810.3410 1.3658 1.1568 PRESSURE: 602200 -152.584 -15.0294 119.594 -15.0309 -101.352 21.9879 119.595 21.9888 53.7559 GPRESSURE: 602200 -136.846 -28.8793 128.919 -2.8109 -57.8414 -111.249 93.8609 -6.6154 99.4956 PRESSAVG: 602200 -3.43579 -52.0614 35.64 -52.0614 34.2545 -42.6318 35.64 -42.6318 43.9887 GPRESSAVG: 602200 -3.60163 -54.2874 34.4047 -51.9967 33.8678 -38.9347 34.9471 -43.5956 44.4079 TIMING: 602200 CPU: 1749.13, 0.00290204/step Wall: 1749.13, 0.00290204/step, 3.54516 hours remaining, 204.925781 MB of memory in use. ENERGY: 602200 768.9573 2153.4626 1975.5633 115.6215 -206294.4596 17795.7669 0.0000 0.0000 34308.8070 -149176.2808 299.6273 -183485.0879 -149077.2468 298.8618 -66.7270 -31.7305 557551.7535 24.9358 24.8913 PRESSURE: 602400 -249.689 -79.3048 94.2207 -79.3041 63.9669 -152.949 94.2207 -152.95 -302.516 GPRESSURE: 602400 -229.741 -101.976 110.709 -12.5433 85.1749 -115.14 113.208 -95.353 -240.33 PRESSAVG: 602400 -63.5152 -2.22983 19.3167 -2.22987 19.0292 -42.8743 19.3166 -42.8743 64.4217 GPRESSAVG: 602400 -63.1608 -3.22871 18.5605 -2.22971 18.8839 -44.6488 19.5073 -41.4555 64.3299 TIMING: 602400 CPU: 1749.71, 0.00290736/step Wall: 1749.71, 0.00290736/step, 3.55151 hours remaining, 204.925781 MB of memory in use. ENERGY: 602400 762.0754 2074.2044 1959.3885 111.7349 -206020.9879 17695.2081 0.0000 0.0000 34152.1613 -149266.2154 298.2593 -183418.3767 -149171.8126 299.2463 -162.7461 -128.2984 558480.7410 6.6452 6.6843 PRESSURE: 602600 -39.7585 124.259 -209.608 124.26 -364.2 146.982 -209.605 146.982 -183.371 GPRESSURE: 602600 -92.3246 172.14 -230.677 58.004 -333.207 49.8699 -193.399 161.696 -74.8468 PRESSAVG: 602600 -11.5994 0.125669 -56.2333 0.125707 -10.1083 15.7445 -56.2333 15.7445 -39.2406 GPRESSAVG: 602600 -10.7651 1.60757 -55.1687 -0.862477 -9.60084 16.28 -55.6205 15.5699 -40.4003 TIMING: 602600 CPU: 1750.3, 0.00292785/step Wall: 1750.3, 0.00292785/step, 3.57637 hours remaining, 204.925781 MB of memory in use. ENERGY: 602600 747.5059 2129.5460 2009.2588 104.7005 -206104.0100 17683.9799 0.0000 0.0000 34186.8366 -149242.1822 298.5621 -183429.0188 -149139.8731 298.5196 -195.7766 -166.7928 558086.3990 -20.3161 -20.2554 PRESSURE: 602800 105.589 12.9037 14.1328 12.9036 -130.178 -44.6549 14.1323 -44.6551 284.928 GPRESSURE: 602800 128.937 -3.35572 -6.21063 27.8178 -84.5657 -93.5418 30.4819 45.2386 324.443 PRESSAVG: 602800 9.11205 -7.25275 38.8683 -7.25272 4.76486 27.5292 38.8684 27.5291 6.71068 GPRESSAVG: 602800 9.13179 -8.56896 36.6591 -6.34397 4.28834 26.7747 40.5978 24.6694 7.00314 TIMING: 602800 CPU: 1750.88, 0.0029006/step Wall: 1750.88, 0.0029006/step, 3.54292 hours remaining, 204.925781 MB of memory in use. ENERGY: 602800 765.6037 2056.3669 1991.6905 115.1785 -206798.9664 18208.2757 0.0000 0.0000 34412.5990 -149249.2521 300.5338 -183661.8511 -149147.4395 298.9251 86.7796 122.9381 556744.5265 6.8625 6.8078 PRESSURE: 603000 181.688 -117.872 66.6419 -117.871 -111.57 -125.961 66.6425 -125.959 -40.3866 GPRESSURE: 603000 153.334 -107.193 74.4221 -66.366 -10.935 -223.361 24.8937 -101.007 -22.5097 PRESSAVG: 603000 9.70814 -38.1465 25.0551 -38.1465 -63.0303 -50.2267 25.0552 -50.2267 50.5146 GPRESSAVG: 603000 9.52665 -36.4932 27.6742 -41.9186 -62.5716 -51.1249 23.8041 -49.6896 50.2984 TIMING: 603000 CPU: 1751.46, 0.00291187/step Wall: 1751.46, 0.00291187/step, 3.55653 hours remaining, 204.925781 MB of memory in use. ENERGY: 603000 788.8046 2084.5412 1981.1939 119.4628 -206276.4997 17976.9554 0.0000 0.0000 34170.2629 -149155.2788 298.4174 -183325.5417 -149057.9037 299.6867 9.9104 39.9632 557697.2710 -0.9359 -0.9155 PRESSURE: 603200 -363.027 28.0962 86.2825 28.0961 101.113 143.02 86.2811 143.02 -228.563 GPRESSURE: 603200 -297.174 13.2485 107.171 -56.9099 125.249 127.056 13.2282 161.923 -238.975 PRESSAVG: 603200 -41.1169 -10.092 -16.2538 -10.092 84.1647 11.6468 -16.2537 11.6468 -22.4422 GPRESSAVG: 603200 -40.3057 -9.35185 -16.811 -7.97633 82.9629 10.8274 -15.705 14.1422 -22.2235 TIMING: 603200 CPU: 1752.04, 0.00289701/step Wall: 1752.04, 0.00289701/step, 3.53821 hours remaining, 204.925781 MB of memory in use. ENERGY: 603200 764.7226 2099.9469 2010.9187 120.8313 -205992.7819 17678.6134 0.0000 0.0000 34211.7568 -149105.9921 298.7798 -183317.7489 -149010.7987 299.5652 -163.4921 -136.9665 558816.8431 6.8685 6.8112 PRESSURE: 603400 104.333 -179.28 101.289 -179.279 23.8708 -6.80714 101.289 -6.807 34.5205 GPRESSURE: 603400 100.219 -133.884 77.8013 -119.146 37.6684 -18.4308 95.6826 0.672437 95.8396 PRESSAVG: 603400 -23.5578 22.8723 -18.9782 22.8724 -66.4179 -1.13515 -18.9782 -1.13532 48.0979 GPRESSAVG: 603400 -24.6293 21.6649 -19.4179 23.9392 -65.7326 0.201436 -19.1968 -2.02244 48.5092 TIMING: 603400 CPU: 1752.63, 0.00292648/step Wall: 1752.63, 0.00292648/step, 3.57404 hours remaining, 204.925781 MB of memory in use. ENERGY: 603400 741.6664 2107.2234 1993.0003 107.8212 -206257.8044 17808.6236 0.0000 0.0000 34305.6559 -149193.8137 299.5998 -183499.4696 -149100.9352 299.2765 54.2414 77.9090 557591.9892 -13.9592 -13.9509 PRESSURE: 603600 -123.852 -92.7808 -67.3309 -92.7802 113.821 71.7732 -67.3304 71.7724 -0.750103 GPRESSURE: 603600 -90.9173 -98.3092 -57.4252 -102.758 127.182 121.368 -76.8711 -69.3417 46.9536 PRESSAVG: 603600 13.2373 -65.4951 11.6717 -65.4951 -82.7564 -35.8445 11.6717 -35.8447 64.9987 GPRESSAVG: 603600 13.7635 -65.6522 11.4411 -65.4417 -83.0411 -35.8477 12.3267 -36.2444 64.8438 TIMING: 603600 CPU: 1753.21, 0.00290627/step Wall: 1753.21, 0.00290627/step, 3.5492 hours remaining, 204.925781 MB of memory in use. ENERGY: 603600 764.1147 2123.3701 1966.4890 116.3673 -205873.7946 17640.2965 0.0000 0.0000 34110.4165 -149152.7405 297.8948 -183263.1570 -149055.8089 299.3516 -3.5938 27.7395 557882.8090 -1.5068 -1.4779 PRESSURE: 603800 -87.1407 19.2493 -58.8178 19.2504 -129.632 -29.0561 -58.8174 -29.057 85.1026 GPRESSURE: 603800 -9.72015 -21.3039 -41.1472 1.29771 -111.818 26.9056 -128.839 -62.4756 75.8971 PRESSAVG: 603800 -28.0918 -17.7826 13.7537 -17.7826 -3.03017 -30.5159 13.7537 -30.5159 95.0672 GPRESSAVG: 603800 -27.9622 -18.0247 14.2747 -17.9452 -2.06516 -31.5479 11.5106 -29.596 94.4154 TIMING: 603800 CPU: 1753.79, 0.00292348/step Wall: 1753.79, 0.00292348/step, 3.57005 hours remaining, 204.925781 MB of memory in use. ENERGY: 603800 757.2752 2063.5120 1940.5913 115.5509 -206261.4882 17981.4326 0.0000 0.0000 34441.1968 -148961.9295 300.7835 -183403.1263 -148858.8813 299.8407 -43.8901 -15.2135 557883.7276 21.3151 21.4627 PRESSURE: 604000 -99.3183 2.60366 -73.83 2.60509 -168.363 -137.8 -73.8283 -137.802 -177.201 GPRESSURE: 604000 -116.499 40.3962 -60.2035 0.551527 -120.43 -121.962 -84.188 -229.725 -100.422 PRESSAVG: 604000 113.555 -30.1288 -0.686008 -30.1289 16.1345 24.0509 -0.686002 24.051 -96.5081 GPRESSAVG: 604000 114.556 -29.707 -1.02229 -28.1386 15.7201 25.613 0.300754 22.7998 -96.9453 TIMING: 604000 CPU: 1754.38, 0.00292296/step Wall: 1754.38, 0.00292296/step, 3.56926 hours remaining, 204.925781 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: 604000 752.7755 2056.9932 1986.9888 113.5376 -205919.2763 17584.9852 0.0000 0.0000 34379.0906 -149044.9054 300.2411 -183423.9960 -148953.2604 300.0820 -148.2941 -112.4506 557247.1394 11.0605 11.1102 PRESSURE: 604200 87.5358 122.224 -11.6382 122.223 -353.721 178.18 -11.6388 178.18 -117.791 GPRESSURE: 604200 45.3307 41.8267 41.9296 78.7825 -253.973 314.062 22.7767 67.8605 -79.8497 PRESSAVG: 604200 59.509 -17.9897 -18.3094 -17.9899 -1.43645 43.5153 -18.3094 43.5153 -37.2487 GPRESSAVG: 604200 59.1772 -17.9276 -17.4573 -21.2698 -2.39785 42.9645 -19.5836 43.4075 -35.7874 TIMING: 604200 CPU: 1754.97, 0.00294792/step Wall: 1754.97, 0.00294792/step, 3.59957 hours remaining, 204.925781 MB of memory in use. ENERGY: 604200 757.3775 2090.7771 1966.6959 114.9525 -205944.3205 17769.6571 0.0000 0.0000 34237.2309 -149007.6295 299.0023 -183244.8604 -148912.9266 300.0009 -127.9920 -96.1641 558365.7515 6.9413 6.9973 LDB: ============= START OF LOAD BALANCING ============== 1758.44 LDB: ============== END OF LOAD BALANCING =============== 1758.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1758.44 LDB: ============= START OF LOAD BALANCING ============== 1758.74 LDB: Largest compute 4827 load 0.028181 is 24.0% of average load 0.117583 LDB: Average compute 0.001732 is 1.5% of average load 0.117583 LDB: TIME 1758.74 LOAD: AVG 0.117583 MAX 0.177741 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.969 MB LDB: TIME 1758.74 LOAD: AVG 0.117583 MAX 0.177741 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.977 MB LDB: TIME 1758.74 LOAD: AVG 0.117583 MAX 0.177741 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1758.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1758.74 PRESSURE: 604400 37.4532 -267.646 -5.35006 -267.646 -96.2964 -65.8463 -5.35098 -65.8457 -166.674 GPRESSURE: 604400 23.4548 -152.518 -17.3166 -369.067 17.3694 -56.3659 -5.74249 -48.7595 -177.668 PRESSAVG: 604400 57.0888 -65.4711 3.9132 -65.471 -57.6133 1.08254 3.9131 1.08255 20.5079 GPRESSAVG: 604400 56.7317 -66.0815 2.36966 -65.3538 -56.9638 0.825708 4.82982 4.47313 19.891 TIMING: 604400 CPU: 1755.57, 0.00300703/step Wall: 1755.57, 0.00300703/step, 3.67158 hours remaining, 204.449219 MB of memory in use. ENERGY: 604400 746.2990 2077.7475 1984.5789 123.1418 -205978.6290 17836.9694 0.0000 0.0000 34201.4753 -149008.4171 298.6900 -183209.8925 -148908.2163 299.4921 -75.1726 -45.6147 559335.6884 6.6612 6.5530 PRESSURE: 604600 -92.1754 193.322 62.177 193.324 140.814 52.3989 62.1765 52.398 -17.9419 GPRESSURE: 604600 -98.9664 172.393 124.411 149.701 180.561 -35.6255 10.5527 69.4097 35.8926 PRESSAVG: 604600 15.6921 -53.0101 -15.3233 -53.01 2.71373 15.5572 -15.3233 15.5574 32.1419 GPRESSAVG: 604600 15.2166 -52.6995 -17.6432 -51.7081 3.29637 14.0722 -13.2888 12.881 31.829 TIMING: 604600 CPU: 1756.15, 0.00290932/step Wall: 1756.15, 0.00290932/step, 3.55212 hours remaining, 204.449219 MB of memory in use. ENERGY: 604600 762.3970 2103.8378 1989.0824 126.5350 -206166.4567 17805.7104 0.0000 0.0000 34252.5136 -149126.3804 299.1357 -183378.8940 -149029.6191 299.8462 10.2322 39.1625 557437.9060 16.8493 16.7806 PRESSURE: 604800 -8.30496 -128.025 -5.52916 -128.025 -175.209 104.845 -5.52956 104.844 -102.802 GPRESSURE: 604800 5.58185 -102.217 -21.6923 -47.3414 -138.34 148.673 -36.5004 84.9464 -54.6202 PRESSAVG: 604800 9.03912 26.165 -33.7063 26.165 6.52289 29.564 -33.7063 29.564 -21.6323 GPRESSAVG: 604800 9.6765 29.5282 -30.8272 24.0518 5.58722 31.3952 -33.8045 28.1169 -21.4711 TIMING: 604800 CPU: 1756.73, 0.00290504/step Wall: 1756.73, 0.00290504/step, 3.54673 hours remaining, 204.449219 MB of memory in use. ENERGY: 604800 764.0382 2014.9020 1981.7292 114.0675 -206172.9678 17888.5855 0.0000 0.0000 34278.0830 -149131.5624 299.3590 -183409.6454 -149028.6458 299.8388 -95.4386 -62.4595 558915.5862 -2.0234 -2.0691 PRESSURE: 605000 -100.188 -11.1969 -292.679 -11.1972 19.6785 35.4309 -292.68 35.4318 200.998 GPRESSURE: 605000 -118.085 6.1711 -317.66 68.1643 84.227 134.412 -274.571 -55.7263 241.043 PRESSAVG: 605000 -47.053 50.6374 -31.0817 50.6374 38.5165 -34.4481 -31.0817 -34.4482 3.40218 GPRESSAVG: 605000 -47.0468 47.8778 -31.0693 52.9301 38.8201 -35.4954 -32.6252 -32.6739 3.28884 TIMING: 605000 CPU: 1757.32, 0.00291916/step Wall: 1757.32, 0.00291916/step, 3.56381 hours remaining, 204.449219 MB of memory in use. ENERGY: 605000 753.6890 2091.3937 1964.4198 115.1309 -206187.9340 17943.0412 0.0000 0.0000 34195.3436 -149124.9157 298.6364 -183320.2593 -149026.1118 298.9393 40.1630 69.0619 557700.6843 -1.7115 -1.6460 PRESSURE: 605200 129.979 19.7316 -98.0007 19.7314 -196 -46.0894 -98.0006 -46.0895 188.649 GPRESSURE: 605200 103.116 40.811 -162.15 -19.9067 -73.7026 -22.0646 -77.9143 -31.3283 210.412 PRESSAVG: 605200 41.8017 22.0772 -57.1681 22.0772 4.35917 51.8848 -57.1682 51.8848 -20.1469 GPRESSAVG: 605200 40.548 21.5204 -56.0718 21.5512 4.30004 52.6167 -58.7097 51.1916 -18.9013 TIMING: 605200 CPU: 1757.9, 0.00289965/step Wall: 1757.9, 0.00289965/step, 3.53983 hours remaining, 204.449219 MB of memory in use. ENERGY: 605200 747.1858 2043.9801 1964.0615 109.4093 -206465.8151 17914.7358 0.0000 0.0000 34635.3069 -149051.1358 302.4787 -183686.4427 -148957.0643 299.0483 40.8763 79.9418 557774.0830 8.6713 8.6489 PRESSURE: 605400 -16.5446 121.054 -102.998 121.053 126.014 31.938 -102.999 31.9384 -98.9968 GPRESSURE: 605400 16.793 155.042 -125.919 178.333 177.981 139.052 -115.67 -18.5191 -82.8443 PRESSAVG: 605400 9.43226 20.2336 -76.7682 20.2336 15.3614 6.5932 -76.7681 6.59313 -32.2785 GPRESSAVG: 605400 10.0435 19.768 -78.0189 20.6131 16.7397 4.39281 -75.6158 8.1224 -34.4373 TIMING: 605400 CPU: 1758.48, 0.00289713/step Wall: 1758.48, 0.00289713/step, 3.53659 hours remaining, 204.449219 MB of memory in use. ENERGY: 605400 716.1877 2075.2224 1984.6241 115.0555 -205870.0196 17761.2519 0.0000 0.0000 34079.8107 -149137.8673 297.6275 -183217.6780 -149036.4454 299.5275 3.4909 37.3099 558731.1144 -2.4949 -2.5514 PRESSURE: 605600 395.602 121.688 -158.906 121.689 151.546 -85.8843 -158.907 -85.8853 59.087 GPRESSURE: 605600 389.825 172.213 -82.3359 166.906 173.119 -114.391 -151.161 18.8141 120.989 PRESSAVG: 605600 33.532 23.5987 -11.0672 23.5987 -26.3368 -1.87742 -11.0672 -1.87735 -13.9207 GPRESSAVG: 605600 34.0391 24.3363 -10.6388 24.673 -27.4198 -0.572351 -10.1066 -2.62651 -13.4938 TIMING: 605600 CPU: 1759.06, 0.00289935/step Wall: 1759.06, 0.00289935/step, 3.53914 hours remaining, 204.519531 MB of memory in use. ENERGY: 605600 772.9621 2088.8371 1989.9929 108.0846 -206383.3699 18256.2948 0.0000 0.0000 34156.5139 -149010.6845 298.2973 -183167.1984 -148917.7286 298.9529 202.0785 227.9778 558338.4199 -2.2418 -2.2915 PRESSURE: 605800 -263.753 62.2324 49.7899 62.231 -110.077 28.7461 49.7901 28.7481 -254.516 GPRESSURE: 605800 -240.161 9.14639 95.92 51.2912 -75.4429 58.6783 50.4228 44.4984 -225.398 PRESSAVG: 605800 -7.34888 11.901 -79.5733 11.9011 49.6619 -23.4574 -79.5733 -23.4574 -32.5025 GPRESSAVG: 605800 -7.89812 12.0297 -78.6673 9.03322 50.3002 -23.3991 -78.9944 -25.564 -32.9422 TIMING: 605800 CPU: 1759.63, 0.00289199/step Wall: 1759.63, 0.00289199/step, 3.53 hours remaining, 204.519531 MB of memory in use. ENERGY: 605800 767.2449 2057.1173 1977.7847 119.5322 -205436.9873 17346.6627 0.0000 0.0000 34154.1452 -149014.5003 298.2766 -183168.6455 -148918.7028 299.4031 -209.4485 -180.3340 558553.0351 3.2702 3.1533 PRESSURE: 606000 1.91496 -28.8283 58.0427 -28.8283 141.157 83.2566 58.0436 83.2561 32.8162 GPRESSURE: 606000 59.1268 -16.4828 48.9087 -38.1828 146.191 120.691 35.3629 74.2815 64.95 PRESSAVG: 606000 65.4064 -23.862 27.1061 -23.862 -48.0088 13.4821 27.1062 13.482 -40.4233 GPRESSAVG: 606000 65.7865 -24.431 23.3543 -22.5917 -49.1332 13.9313 26.6451 14.095 -40.1841 TIMING: 606000 CPU: 1760.22, 0.00290843/step Wall: 1760.22, 0.00290843/step, 3.5499 hours remaining, 204.519531 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: 606000 706.2144 2126.3002 1973.7518 115.3894 -205951.8247 17729.7565 0.0000 0.0000 34326.7436 -148973.6689 299.7840 -183300.4125 -148870.0381 299.8864 58.6295 90.0892 557461.5424 -7.6753 -7.8436 PRESSURE: 606200 100.184 -126.039 37.6762 -126.038 -62.5233 -58.7671 37.6767 -58.7662 -108.941 GPRESSURE: 606200 185.194 -129.298 37.6618 -28.489 -63.2477 -69.2836 155.31 -127.154 -101.921 PRESSAVG: 606200 77.7031 -18.9294 2.68313 -18.9295 -14.6849 -35.9239 2.68317 -35.9238 14.4393 GPRESSAVG: 606200 76.5287 -21.1886 5.12116 -17.1807 -15.1068 -37.7693 1.51211 -35.3479 15.8158 TIMING: 606200 CPU: 1760.8, 0.00291445/step Wall: 1760.8, 0.00291445/step, 3.55709 hours remaining, 204.722656 MB of memory in use. ENERGY: 606200 739.9712 2071.5832 1959.4876 123.1032 -206010.5129 17750.8502 0.0000 0.0000 34182.5025 -149183.0150 298.5243 -183365.5175 -149085.3576 299.7726 -23.7600 6.6749 556485.2880 25.8192 25.7459 PRESSURE: 606400 -287.189 130.718 -86.6266 130.718 -143.343 125.016 -86.6258 125.017 -85.1045 GPRESSURE: 606400 -300.739 195.336 -25.8556 149.699 -71.0993 94.5286 -126.153 169.991 -58.2211 PRESSAVG: 606400 85.6043 20.6531 -21.2188 20.6532 -16.9829 73.5418 -21.2188 73.5417 -3.67374 GPRESSAVG: 606400 85.8897 23.0462 -20.4143 19.2665 -16.4098 73.2794 -24.1103 75.8722 -3.97487 TIMING: 606400 CPU: 1761.38, 0.00290183/step Wall: 1761.38, 0.00290182/step, 3.54152 hours remaining, 204.722656 MB of memory in use. ENERGY: 606400 767.8911 2153.5642 1961.8897 124.2328 -206056.3054 17594.0540 0.0000 0.0000 34299.9412 -149154.7325 299.5499 -183454.6737 -149059.4249 299.9307 -171.8787 -143.3533 556862.5701 21.6492 21.8350 PRESSURE: 606600 56.6415 30.5549 150.411 30.5531 -184.053 -104.536 150.412 -104.535 -254.026 GPRESSURE: 606600 109.05 91.3701 161.654 -29.9578 -165.453 -127.961 103.918 -128.909 -231.39 PRESSAVG: 606600 32.9507 29.1851 -9.18943 29.1849 -11.674 -15.5147 -9.18944 -15.5147 -55.0485 GPRESSAVG: 606600 33.5655 26.6252 -10.6026 30.1104 -11.4598 -12.0177 -5.47689 -19.7823 -55.9134 TIMING: 606600 CPU: 1761.96, 0.00291051/step Wall: 1761.96, 0.00291051/step, 3.55196 hours remaining, 204.722656 MB of memory in use. ENERGY: 606600 752.1853 2123.8898 1993.8516 104.6095 -205966.6168 17482.7881 0.0000 0.0000 34444.2008 -149065.0917 300.8098 -183509.2924 -148967.6274 299.5563 -127.1458 -95.9309 557179.2732 -11.2573 -11.2692 PRESSURE: 606800 -15.6107 4.27908 252.14 4.28036 -90.6825 -22.5148 252.14 -22.5141 -95.5189 GPRESSURE: 606800 -18.8685 -43.6719 200.839 -5.34399 -32.7675 52.4522 274.574 -87.5845 -64.1895 PRESSAVG: 606800 43.47 -6.02838 7.22815 -6.0284 49.4316 -35.455 7.22819 -35.455 -107.369 GPRESSAVG: 606800 43.307 -5.49749 8.68132 -7.20602 48.5265 -37.7977 7.74415 -32.8485 -106.033 TIMING: 606800 CPU: 1762.54, 0.00289597/step Wall: 1762.54, 0.00289597/step, 3.53405 hours remaining, 204.722656 MB of memory in use. ENERGY: 606800 740.1169 2082.5534 1968.5627 102.0613 -205421.8148 17451.4480 0.0000 0.0000 34181.9856 -148895.0868 298.5198 -183077.0724 -148800.0393 299.7763 -67.2707 -38.6085 556459.8154 -4.8225 -4.7333 PRESSURE: 607000 112.251 53.399 -2.84797 53.398 213.602 -89.5138 -2.84835 -89.5133 -107.182 GPRESSURE: 607000 180.818 81.4844 85.6517 -36.9385 210.2 -92.1501 -28.5081 -91.5926 -72.6605 PRESSAVG: 607000 6.31538 -21.835 35.9501 -21.835 44.0236 -77.4136 35.95 -77.4137 -34.7318 GPRESSAVG: 607000 6.21044 -21.6787 36.4631 -20.6556 45.7857 -75.6351 34.5723 -78.6221 -36.4136 TIMING: 607000 CPU: 1763.12, 0.00289071/step Wall: 1763.12, 0.00289071/step, 3.52747 hours remaining, 204.722656 MB of memory in use. ENERGY: 607000 756.7547 2064.6726 1994.6419 119.6500 -205825.1939 17765.8834 0.0000 0.0000 34292.4377 -148831.1535 299.4844 -183123.5912 -148734.9863 300.2900 72.8907 106.1192 557283.7684 5.2024 5.1942 PRESSURE: 607200 -107.325 -202.677 141.35 -202.677 -134.863 -44.8809 141.349 -44.8793 -64.0823 GPRESSURE: 607200 -93.0366 -205.64 109.838 -164.96 -53.9754 -109.763 129.158 21.8273 -46.4763 PRESSAVG: 607200 60.1378 -5.25298 -22.3743 -5.25306 32.2505 -22.9252 -22.3742 -22.9253 -73.915 GPRESSAVG: 607200 59.2332 -4.02982 -23.1943 -6.48715 31.9202 -23.7868 -21.9653 -22.0972 -72.2274 TIMING: 607200 CPU: 1763.7, 0.00290617/step Wall: 1763.7, 0.00290617/step, 3.54618 hours remaining, 204.722656 MB of memory in use. ENERGY: 607200 764.0245 2073.2286 1958.4847 107.7238 -205715.3233 17692.4025 0.0000 0.0000 34217.6177 -148901.8415 298.8310 -183119.4592 -148806.9641 300.1070 -102.0903 -64.4961 558190.9211 6.1578 6.3086 PRESSURE: 607400 457.277 286.079 -38.2437 286.079 246.5 156.201 -38.2436 156.2 364.1 GPRESSURE: 607400 495.149 289.852 -28.5539 274.167 313.233 247.496 -65.3141 101.801 344.443 PRESSAVG: 607400 71.3941 51.718 32.8606 51.7181 18.427 16.5121 32.8605 16.5121 -83.4516 GPRESSAVG: 607400 71.973 50.3956 34.6059 52.7785 17.5799 16.1088 31.6067 16.0576 -83.6288 TIMING: 607400 CPU: 1764.28, 0.00288689/step Wall: 1764.28, 0.00288689/step, 3.52249 hours remaining, 204.722656 MB of memory in use. ENERGY: 607400 716.1361 2091.6078 1963.4192 102.0923 -206349.0010 18332.3606 0.0000 0.0000 34297.3153 -148846.0696 299.5270 -183143.3849 -148751.5725 300.1489 355.9589 384.2749 557190.6558 2.1232 1.9747 PRESSURE: 607600 5.80029 -134.361 254.294 -134.359 -33.3433 -65.0208 254.295 -65.018 -82.8961 GPRESSURE: 607600 -31.6227 -84.9235 276.899 -172.761 8.8127 -45.9561 327.33 29.1323 10.9581 PRESSAVG: 607600 2.33699 33.1303 11.5458 33.1303 32.7507 1.14141 11.5458 1.14139 -32.4058 GPRESSAVG: 607600 1.64253 34.0958 10.6767 32.2252 32.6813 3.15362 10.8981 1.51938 -31.8797 TIMING: 607600 CPU: 1764.86, 0.00292373/step Wall: 1764.86, 0.00292373/step, 3.56728 hours remaining, 204.722656 MB of memory in use. ENERGY: 607600 743.1030 2102.4088 1973.1152 112.4619 -206018.4541 17792.5862 0.0000 0.0000 34240.9907 -149053.7883 299.0351 -183294.7790 -148966.7010 300.8188 -36.8130 -3.9506 556802.9460 0.8940 0.8147 PRESSURE: 607800 -229.58 -71.9039 242.804 -71.9053 -20.0227 74.8697 242.804 74.8683 -17.145 GPRESSURE: 607800 -218.179 -53.1812 205.981 -93.784 19.2819 47.3996 177.802 58.4502 35.048 PRESSAVG: 607800 -5.35165 32.2428 39.7121 32.243 10.2559 -18.0525 39.712 -18.0526 -8.84417 GPRESSAVG: 607800 -4.43501 33.1353 39.2825 32.1108 10.1112 -19.763 40.9659 -17.1031 -9.61599 TIMING: 607800 CPU: 1765.44, 0.00291807/step Wall: 1765.44, 0.00291807/step, 3.56021 hours remaining, 204.722656 MB of memory in use. ENERGY: 607800 736.6767 2085.4759 1953.3335 107.2476 -205689.6179 17586.6304 0.0000 0.0000 34105.1931 -149115.0607 297.8491 -183220.2537 -149030.4753 299.3312 -88.9159 -54.6164 557594.7413 -1.3133 -1.3133 PRESSURE: 608000 -75.808 58.3707 -30.1392 58.371 -103.557 -118.701 -30.1381 -118.701 -43.6147 GPRESSURE: 608000 -49.0425 84.4986 -68.5204 21.198 -69.9921 -73.3548 35.9724 -176.363 -1.67042 PRESSAVG: 608000 -39.8066 7.2497 -0.134256 7.24971 54.2971 -78.6134 -0.134299 -78.6135 -15.002 GPRESSAVG: 608000 -40.7467 5.54778 -1.71126 9.93347 55.825 -78.8277 1.62668 -77.2693 -15.1828 TIMING: 608000 CPU: 1766.03, 0.0029006/step Wall: 1766.03, 0.0029006/step, 3.53873 hours remaining, 204.722656 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: 608000 754.8446 2110.4477 1943.4974 115.3986 -206100.8094 17746.4756 0.0000 0.0000 34200.0858 -149230.0597 298.6779 -183430.1455 -149135.7740 298.7493 -74.3266 -40.2350 557850.6490 -0.1705 -0.0348 PRESSURE: 608200 100.055 -22.1762 109.777 -22.1761 189.873 52.3421 109.777 52.342 -53.9778 GPRESSURE: 608200 136.09 101.917 159.02 -37.3368 203.958 121.459 21.5915 12.0349 -5.0109 PRESSAVG: 608200 -79.5522 26.7778 20.8847 26.7778 1.57445 -8.33252 20.8846 -8.33262 114.766 GPRESSAVG: 608200 -77.8604 27.4437 22.9472 26.4401 -0.127631 -7.12072 17.7333 -10.8915 115.507 TIMING: 608200 CPU: 1766.6, 0.0028895/step Wall: 1766.6, 0.0028895/step, 3.52503 hours remaining, 204.722656 MB of memory in use. ENERGY: 608200 706.2056 2039.7324 1961.8824 107.1180 -206502.1222 18113.8288 0.0000 0.0000 34380.8072 -149192.5477 300.2561 -183573.3549 -149098.6290 300.2615 78.6501 111.6792 557650.1795 12.2628 12.5065 LDB: ============= START OF LOAD BALANCING ============== 1770.07 LDB: ============== END OF LOAD BALANCING =============== 1770.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1770.07 LDB: ============= START OF LOAD BALANCING ============== 1770.36 LDB: Largest compute 4827 load 0.027437 is 23.3% of average load 0.117584 LDB: Average compute 0.001730 is 1.5% of average load 0.117584 LDB: TIME 1770.36 LOAD: AVG 0.117584 MAX 0.179558 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 1770.36 LOAD: AVG 0.117584 MAX 0.179558 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: TIME 1770.36 LOAD: AVG 0.117584 MAX 0.179558 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1770.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1770.37 PRESSURE: 608400 -15.2137 30.2514 -62.3443 30.2498 149.29 94.2139 -62.3445 94.2141 67.5579 GPRESSURE: 608400 27.2425 -4.17051 16.103 89.979 196.562 83.8793 -107.371 83.7749 77.8537 PRESSAVG: 608400 -7.71526 18.8784 -24.0561 18.8785 1.28305 -38.8653 -24.0561 -38.8652 -33.0604 GPRESSAVG: 608400 -8.99203 16.465 -24.0713 18.8376 2.23699 -36.8695 -23.0325 -38.8488 -32.9396 TIMING: 608400 CPU: 1767.19, 0.00293574/step Wall: 1767.19, 0.00293574/step, 3.58127 hours remaining, 205.019531 MB of memory in use. ENERGY: 608400 729.8522 2095.4548 1989.4731 116.6050 -206356.7683 17877.0398 0.0000 0.0000 34176.0618 -149372.2815 298.4680 -183548.3433 -149273.7511 299.0335 67.2113 100.5528 557342.6325 -13.1642 -13.2315 PRESSURE: 608600 84.5303 189.068 -42.547 189.067 71.8091 -9.94374 -42.5462 -9.94285 256.769 GPRESSURE: 608600 119.916 145.208 -142.968 215.76 128.082 29.1007 7.63703 -53.0093 261.067 PRESSAVG: 608600 -23.7188 40.6154 25.9217 40.6154 -1.01481 -17.1039 25.9217 -17.1038 57.063 GPRESSAVG: 608600 -24.3417 43.7765 25.217 38.3852 -0.894771 -19.7366 26.9663 -14.325 57.3753 TIMING: 608600 CPU: 1767.77, 0.0028882/step Wall: 1767.77, 0.0028882/step, 3.52312 hours remaining, 205.222656 MB of memory in use. ENERGY: 608600 732.1063 2038.8097 1999.0599 107.6365 -206320.2842 18009.2812 0.0000 0.0000 34046.1927 -149387.1979 297.3339 -183433.3906 -149291.7935 298.5267 137.7028 169.6882 558328.9122 10.7765 10.7129 PRESSURE: 608800 173.247 90.0798 28.8785 90.0805 -171.278 60.3181 28.8774 60.3161 193.918 GPRESSURE: 608800 177.678 -11.0573 63.2465 125.053 -89.3443 55.54 19.9465 33.0135 212.331 PRESSAVG: 608800 39.0469 28.0667 7.77051 28.0667 -31.9979 -5.36841 7.7705 -5.36837 26.3263 GPRESSAVG: 608800 39.4909 27.8986 8.778 28.5206 -32.3826 -5.62268 6.81028 -6.74624 26.1837 TIMING: 608800 CPU: 1768.35, 0.00289897/step Wall: 1768.35, 0.00289897/step, 3.53611 hours remaining, 205.222656 MB of memory in use. ENERGY: 608800 747.1000 2014.6169 1985.5631 112.9301 -206375.5071 17956.5882 0.0000 0.0000 34301.7384 -149256.9704 299.5656 -183558.7087 -149164.6753 298.7647 65.2959 100.2218 559990.1190 11.1251 11.0973 PRESSURE: 609000 -146.917 61.758 13.4059 61.758 -15.605 94.6414 13.4061 94.6434 -12.425 GPRESSURE: 609000 -46.5967 39.4634 0.597651 92.4661 0.327894 147.414 70.8101 36.4295 -35.8457 PRESSAVG: 609000 15.5505 69.9225 -25.1023 69.9226 -11.5678 1.49563 -25.1023 1.49572 33.311 GPRESSAVG: 609000 15.5638 68.3925 -27.0854 72.3784 -11.7241 1.74561 -25.1051 3.60169 33.299 TIMING: 609000 CPU: 1768.92, 0.00288646/step Wall: 1768.92, 0.00288646/step, 3.52068 hours remaining, 205.222656 MB of memory in use. ENERGY: 609000 759.1769 2072.2357 1970.6453 121.9064 -206354.7111 17978.5026 0.0000 0.0000 34236.7404 -149215.5038 298.9980 -183452.2442 -149114.9274 299.2799 -58.3157 -27.3715 559403.0110 12.4312 12.3796 PRESSURE: 609200 167.377 -58.6087 -94.2573 -58.6094 -44.5264 123.308 -94.2559 123.307 32.1822 GPRESSURE: 609200 169.263 2.75692 -175.832 -80.7392 21.1838 124.686 -15.0586 34.4314 52.8213 PRESSAVG: 609200 -9.55042 0.701231 -28.6866 0.701233 -23.3286 -3.73439 -28.6866 -3.73434 20.9034 GPRESSAVG: 609200 -9.44081 3.09421 -27.133 -0.394195 -23.6024 -4.90888 -27.9684 -4.51191 21.0281 TIMING: 609200 CPU: 1769.5, 0.00289942/step Wall: 1769.5, 0.00289942/step, 3.53632 hours remaining, 205.222656 MB of memory in use. ENERGY: 609200 768.5977 2148.8670 1967.2449 132.5687 -206540.6487 18122.9466 0.0000 0.0000 34175.2927 -149225.1310 298.4613 -183400.4237 -149133.2390 299.2074 51.6775 81.0893 557986.2701 -3.9918 -4.0051 PRESSURE: 609400 198.64 -112.417 6.21195 -112.416 70.3724 -74.49 6.21106 -74.4912 -58.9558 GPRESSURE: 609400 208.263 -42.3249 -23.3211 -104.177 109.06 -70.7534 -12.1149 -45.6916 -18.5685 PRESSAVG: 609400 32.5671 21.2083 -29.5403 21.2084 -29.2556 -8.62578 -29.5403 -8.62577 -3.91381 GPRESSAVG: 609400 32.7655 19.9963 -29.8839 20.7919 -28.5655 -6.88469 -31.0479 -8.71799 -4.29597 TIMING: 609400 CPU: 1770.09, 0.00291039/step Wall: 1770.09, 0.00291039/step, 3.54955 hours remaining, 205.222656 MB of memory in use. ENERGY: 609400 742.8562 2016.7541 1980.6968 102.2560 -206215.4989 17940.7164 0.0000 0.0000 34336.3815 -149095.8380 299.8682 -183432.2195 -148998.4914 299.2559 70.0190 99.5845 558172.6270 -0.2008 -0.0320 PRESSURE: 609600 37.1006 2.97357 34.3821 2.97384 -162.816 91.9901 34.3825 91.9922 -46.4078 GPRESSURE: 609600 38.7494 36.5276 -1.97674 0.995086 -91.5829 22.3238 37.5878 12.1138 -19.8053 PRESSAVG: 609600 11.475 31.7686 18.4841 31.7686 35.0703 12.7442 18.4841 12.7441 -38.065 GPRESSAVG: 609600 10.6032 32.0275 18.7056 31.2106 35.8701 10.5875 21.0274 13.7473 -38.1529 TIMING: 609600 CPU: 1770.67, 0.00291622/step Wall: 1770.67, 0.00291622/step, 3.55649 hours remaining, 205.222656 MB of memory in use. ENERGY: 609600 755.7112 2098.0026 1981.9402 108.8855 -205974.4173 17782.5862 0.0000 0.0000 34119.7556 -149127.5360 297.9763 -183247.2916 -149034.4647 298.8302 -57.3742 -24.2129 558598.9681 2.8268 2.7735 PRESSURE: 609800 99.187 -45.1089 -88.8275 -45.1082 36.907 -97.9263 -88.8271 -97.9275 141.804 GPRESSURE: 609800 92.5072 23.9756 -85.3201 -70.5302 61.2775 -137.001 -78.8574 -45.5041 226.502 PRESSAVG: 609800 18.6259 -38.3727 -32.7346 -38.3728 -0.478526 11.7952 -32.7348 11.7952 -5.66543 GPRESSAVG: 609800 18.8191 -38.2677 -33.4851 -39.1203 -0.809729 13.3273 -34.8655 11.6398 -5.7067 TIMING: 609800 CPU: 1771.25, 0.00289911/step Wall: 1771.25, 0.00289911/step, 3.53547 hours remaining, 205.222656 MB of memory in use. ENERGY: 609800 769.9851 2085.5915 1969.7934 118.2669 -206279.9788 17934.1874 0.0000 0.0000 34212.8245 -149189.3300 298.7891 -183402.1545 -149096.9462 298.7057 92.6328 126.7624 557683.0877 4.1607 4.1009 PRESSURE: 610000 -75.5667 34.6315 104.988 34.6294 -26.0314 -1.14384 104.988 -1.14289 27.7995 GPRESSURE: 610000 -35.7616 -27.3747 135.895 -33.7817 -24.0566 -33.9598 111.789 -81.0903 74.4558 PRESSAVG: 610000 -88.8018 -0.509182 -8.35056 -0.509133 17.9295 -16.0746 -8.35064 -16.0746 42.7153 GPRESSAVG: 610000 -88.4026 -0.425687 -10.0083 1.05453 17.4656 -15.9407 -5.74459 -17.766 42.5064 TIMING: 610000 CPU: 1771.83, 0.00288933/step Wall: 1771.83, 0.00288933/step, 3.52338 hours remaining, 205.222656 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: 610000 752.6245 2032.5702 1975.6772 115.8100 -206136.3550 17805.8445 0.0000 0.0000 34222.6373 -149231.1912 298.8748 -183453.8285 -149143.3121 299.2625 -24.5995 4.8792 557119.2082 -9.3856 -9.4769 PRESSURE: 610200 -51.6453 -3.05958 -43.4711 -3.05873 172.205 -2.43997 -43.4704 -2.44006 225.93 GPRESSURE: 610200 -18.2343 78.8646 -51.0487 -112.356 177.754 7.97278 27.9144 114.581 284.899 PRESSAVG: 610200 51.2667 33.3029 -3.62071 33.303 -34.379 71.8771 -3.62064 71.8772 13.8525 GPRESSAVG: 610200 50.503 32.0262 -3.78434 34.0805 -34.156 72.9445 -3.20059 70.8163 14.127 TIMING: 610200 CPU: 1772.41, 0.00291548/step Wall: 1772.41, 0.00291548/step, 3.5551 hours remaining, 205.222656 MB of memory in use. ENERGY: 610200 737.1760 2043.0966 1974.9857 111.1721 -206177.6359 17890.8351 0.0000 0.0000 34218.6639 -149201.7064 298.8401 -183420.3703 -149101.8884 299.7037 115.4967 148.1394 556459.7012 10.2467 10.1580 PRESSURE: 610400 -474.939 -22.4895 22.6107 -22.4895 -30.8274 161.902 22.6117 161.903 9.21711 GPRESSURE: 610400 -402.468 -19.803 -60.8209 -42.319 15.5893 123.343 55.7093 197.136 -16.3382 PRESSAVG: 610400 -21.4242 -32.3998 8.94576 -32.3998 -4.7618 39.4882 8.94589 39.4882 9.39389 GPRESSAVG: 610400 -20.8778 -31.3146 9.46312 -33.8047 -4.49791 37.5488 6.88596 42.47 8.38805 TIMING: 610400 CPU: 1773, 0.00292144/step Wall: 1773, 0.00292144/step, 3.56221 hours remaining, 205.421875 MB of memory in use. ENERGY: 610400 706.7954 2086.0384 1962.7981 107.7571 -205828.6528 17602.3705 0.0000 0.0000 34257.5902 -149105.3032 299.1801 -183362.8934 -149010.7371 299.2963 -165.5165 -134.4058 560004.8389 -5.5974 -5.6626 PRESSURE: 610600 -288.015 79.6656 -27.1601 79.6661 36.768 -120.154 -27.1598 -120.155 21.1685 GPRESSURE: 610600 -266.512 31.6526 -44.4609 71.9467 35.7034 -133.067 -17.7672 -129.109 80.2377 PRESSAVG: 610600 -43.7301 -9.15717 5.28972 -9.15714 54.3974 -14.9881 5.28972 -14.9881 21.2234 GPRESSAVG: 610600 -44.2156 -9.77462 5.43541 -9.37475 53.7532 -14.0805 7.41283 -16.7345 22.3071 TIMING: 610600 CPU: 1773.58, 0.00294634/step Wall: 1773.58, 0.00294634/step, 3.59241 hours remaining, 205.421875 MB of memory in use. ENERGY: 610600 738.0404 2104.9572 1967.1508 110.3023 -205947.7694 17586.3793 0.0000 0.0000 34151.2121 -149289.7273 298.2510 -183440.9395 -149194.7835 299.3997 -76.6928 -50.1904 557492.1487 10.6303 10.6149 PRESSURE: 610800 69.0617 -19.7136 -33.0047 -19.7143 -172.481 -51.1536 -33.0051 -51.1518 0.377792 GPRESSURE: 610800 122.549 39.4906 -7.57858 -78.9622 -177.51 -85.8141 -99.1098 -2.66624 44.6485 PRESSAVG: 610800 -20.1167 -27.97 26.5325 -27.97 -43.5386 33.3284 26.5325 33.3284 82.1647 GPRESSAVG: 610800 -19.7048 -27.9574 28.7746 -26.6084 -43.2339 33.1175 24.5834 33.6661 81.3399 TIMING: 610800 CPU: 1774.17, 0.00291122/step Wall: 1774.17, 0.00291122/step, 3.54943 hours remaining, 205.421875 MB of memory in use. ENERGY: 610800 747.1283 2066.0120 1974.4946 112.2372 -206305.8707 17807.6371 0.0000 0.0000 34268.2456 -149330.1158 299.2731 -183598.3615 -149239.7583 299.3375 -34.3472 -3.4378 556233.5190 6.1698 6.1337 PRESSURE: 611000 -81.0712 -48.8387 65.9917 -48.8385 -28.5802 85.3749 65.992 85.3751 -262.511 GPRESSURE: 611000 -66.459 -141.434 -10.1065 -39.3563 27.4174 126.234 127.442 51.7126 -234.868 PRESSAVG: 611000 -23.9847 -2.60687 11.9878 -2.60678 -14.9897 -23.8634 11.9878 -23.8634 38.7617 GPRESSAVG: 611000 -24.0626 -4.408 10.4766 -1.65548 -15.1092 -21.8851 11.1041 -23.8965 39.0781 TIMING: 611000 CPU: 1774.75, 0.00292314/step Wall: 1774.75, 0.00292314/step, 3.56379 hours remaining, 205.421875 MB of memory in use. ENERGY: 611000 725.6903 2093.2517 1953.2616 123.2093 -205948.1049 17508.6770 0.0000 0.0000 34243.1891 -149300.8257 299.0543 -183544.0149 -149204.5061 298.9685 -124.0541 -91.3031 556845.4305 -0.0709 -0.0313 PRESSURE: 611200 -99.3851 111.944 -103.974 111.945 -127.248 30.287 -103.975 30.2885 -173.599 GPRESSURE: 611200 -84.4362 106.059 -56.7733 82.5183 -72.6444 19.7544 -78.4859 -42.491 -130.854 PRESSAVG: 611200 -20.9867 -49.9596 8.96528 -49.9596 -12.9234 -6.62673 8.96522 -6.62682 25.105 GPRESSAVG: 611200 -20.85 -48.6051 8.73638 -51.0459 -12.9151 -8.71605 10.9296 -7.14027 25.1158 TIMING: 611200 CPU: 1775.33, 0.00291142/step Wall: 1775.33, 0.00291142/step, 3.54934 hours remaining, 205.421875 MB of memory in use. ENERGY: 611200 748.9528 2065.2741 1970.7251 123.0921 -206473.6425 17873.6200 0.0000 0.0000 34241.4435 -149450.5349 299.0390 -183691.9783 -149351.5077 299.1333 -133.4108 -95.9783 555920.0329 -2.9350 -2.8831 PRESSURE: 611400 121.992 -33.631 -158.01 -33.6306 -69.8769 -77.9064 -158.011 -77.9047 108.906 GPRESSURE: 611400 149.615 -31.1908 -195.568 -143.857 -106.436 -95.7981 -121.847 -38.1493 201.465 PRESSAVG: 611400 26.0211 2.33855 -18.9036 2.33856 -10.0813 -23.0184 -18.9037 -23.0185 19.3923 GPRESSAVG: 611400 27.0566 2.19154 -18.3617 3.24356 -10.1173 -20.9437 -19.8664 -23.384 18.2423 TIMING: 611400 CPU: 1775.92, 0.0029109/step Wall: 1775.92, 0.0029109/step, 3.54855 hours remaining, 205.421875 MB of memory in use. ENERGY: 611400 741.1494 2086.4023 1985.6627 113.2736 -206850.2701 18232.9056 0.0000 0.0000 34343.0964 -149347.7802 299.9268 -183690.8766 -149252.4827 298.3553 53.6737 81.5481 557158.2952 11.7773 11.7272 PRESSURE: 611600 -350.673 -101.937 146.586 -101.938 21.2111 45.4939 146.586 45.4947 -217.282 GPRESSURE: 611600 -313.986 7.82376 154.777 -103.891 31.9475 44.736 130.948 29.1633 -180.843 PRESSAVG: 611600 -47.8874 39.046 38.5679 39.046 28.3033 -3.60624 38.568 -3.60628 -10.7053 GPRESSAVG: 611600 -49.3441 37.9207 39.4307 40.5322 28.7174 -5.6644 37.0587 -2.23135 -9.59617 TIMING: 611600 CPU: 1776.5, 0.00291352/step Wall: 1776.5, 0.00291352/step, 3.55158 hours remaining, 205.421875 MB of memory in use. ENERGY: 611600 782.1682 2058.6678 1999.6203 115.6522 -206103.0593 17793.5890 0.0000 0.0000 34100.0371 -149253.3246 297.8041 -183353.3617 -149160.5019 298.8176 -182.2478 -154.2940 557959.2669 -10.0965 -10.0743 PRESSURE: 611800 196.296 32.6124 93.4239 32.6121 -101.492 289.254 93.423 289.253 -39.6347 GPRESSURE: 611800 241.073 12.3059 27.7903 36.4276 -39.6505 227.328 88.4023 283.335 -41.5479 PRESSAVG: 611800 -14.354 -11.7421 -6.35074 -11.7421 19.6659 36.3835 -6.35064 36.3836 13.6092 GPRESSAVG: 611800 -13.7108 -13.6862 -9.04557 -11.171 19.9459 37.2199 -5.43095 34.1088 12.3957 TIMING: 611800 CPU: 1777.08, 0.00290471/step Wall: 1777.08, 0.00290471/step, 3.54068 hours remaining, 205.421875 MB of memory in use. ENERGY: 611800 740.7240 2056.4872 1981.9462 111.7099 -206450.6456 17889.7150 0.0000 0.0000 34391.1512 -149278.9121 300.3465 -183670.0633 -149190.3148 299.1216 18.3895 53.2915 557129.0923 6.3070 6.2103 PRESSURE: 612000 7.12381 160.676 144.803 160.676 -198.007 69.1263 144.804 69.1274 -241.87 GPRESSURE: 612000 40.6902 155.873 143.767 83.0109 -199.747 130.288 150.469 44.727 -184.31 PRESSAVG: 612000 -4.09417 -16.2647 21.4525 -16.2647 30.7581 40.0098 21.4525 40.0098 -17.7 GPRESSAVG: 612000 -5.44072 -12.6391 23.8417 -18.4185 30.7384 41.3623 21.7275 39.1606 -15.7412 TIMING: 612000 CPU: 1777.66, 0.00291265/step Wall: 1777.66, 0.00291266/step, 3.5502 hours remaining, 205.421875 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: 612000 769.8340 2081.8324 1978.7844 112.7164 -206192.4732 17857.5445 0.0000 0.0000 34179.0694 -149212.6921 298.4943 -183391.7615 -149116.5595 298.7290 -144.2511 -114.4556 557849.3012 2.9880 3.1855 PRESSURE: 612200 -187.368 75.1033 -181.871 75.1032 -52.2853 50.171 -181.87 50.171 -31.896 GPRESSURE: 612200 -132.047 52.6304 -209.48 110.664 -57.9226 126.934 -211.546 66.6766 19.2411 PRESSAVG: 612200 3.60009 22.6813 -24.3934 22.6813 -43.7102 -48.4301 -24.3934 -48.4301 38.6569 GPRESSAVG: 612200 4.56355 20.0509 -26.7869 24.7529 -44.7211 -50.1313 -23.6508 -47.2594 39.0332 TIMING: 612200 CPU: 1778.24, 0.00290763/step Wall: 1778.24, 0.00290763/step, 3.54391 hours remaining, 205.421875 MB of memory in use. ENERGY: 612200 711.9242 2103.6156 1981.7538 119.1746 -205907.9997 17693.9889 0.0000 0.0000 34121.5057 -149176.0370 297.9916 -183297.5427 -149080.8185 298.7197 -90.5165 -56.9094 559566.0224 -0.4844 -0.3748 LDB: ============= START OF LOAD BALANCING ============== 1781.71 LDB: ============== END OF LOAD BALANCING =============== 1781.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1781.71 LDB: ============= START OF LOAD BALANCING ============== 1782.01 LDB: Largest compute 4827 load 0.029396 is 25.0% of average load 0.117615 LDB: Average compute 0.001728 is 1.5% of average load 0.117615 LDB: TIME 1782.01 LOAD: AVG 0.117615 MAX 0.17682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.508 MB LDB: TIME 1782.01 LOAD: AVG 0.117615 MAX 0.17682 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: TIME 1782.01 LOAD: AVG 0.117615 MAX 0.17682 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: ============== END OF LOAD BALANCING =============== 1782.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1782.02 PRESSURE: 612400 -301.96 -29.3553 16.2831 -29.3549 22.2789 272.415 16.2816 272.412 -61.456 GPRESSURE: 612400 -233.669 -27.8629 -15.5849 -17.2819 -7.53651 147.256 53.3928 241.9 7.64055 PRESSAVG: 612400 -22.7834 -42.6193 51.5669 -42.6192 16.1068 -23.1147 51.5668 -23.1148 -16.7949 GPRESSAVG: 612400 -22.9528 -41.7188 54.2637 -44.6221 16.665 -23.385 51.9467 -23.0253 -17.7206 TIMING: 612400 CPU: 1778.84, 0.00298617/step Wall: 1778.84, 0.00298616/step, 3.63947 hours remaining, 204.574219 MB of memory in use. ENERGY: 612400 702.7134 2060.1390 1983.9918 123.0028 -206006.2724 17566.0804 0.0000 0.0000 34402.3544 -149167.9905 300.4443 -183570.3449 -149074.3511 299.3890 -113.7125 -77.8551 557038.5608 -7.8239 -8.0028 PRESSURE: 612600 81.9793 151.294 -249.212 151.295 -232.885 87.3864 -249.211 87.3855 127.708 GPRESSURE: 612600 93.8043 143.359 -157.402 127.076 -169.66 110.403 -318.169 119.841 158.472 PRESSAVG: 612600 21.0659 33.0572 1.12407 33.0573 -26.7792 12.2877 1.1241 12.2876 -27.305 GPRESSAVG: 612600 22.3378 32.9716 -0.556671 33.7658 -27.4697 12.9137 0.503116 13.6616 -27.7233 TIMING: 612600 CPU: 1779.42, 0.00290738/step Wall: 1779.42, 0.00290738/step, 3.54329 hours remaining, 204.855469 MB of memory in use. ENERGY: 612600 771.8231 2057.1305 1991.6369 100.6669 -206130.4949 17786.0880 0.0000 0.0000 34276.2372 -149146.9122 299.3429 -183423.1494 -149050.1067 299.2329 -7.7326 27.5389 556433.0630 -11.0061 -10.9517 PRESSURE: 612800 -196.252 -73.3519 83.1014 -73.3516 -146.122 34.6957 83.1004 34.6952 104.196 GPRESSURE: 612800 -146.238 -72.7093 39.618 -85.0063 -101.218 12.7983 -4.53968 33.7374 110.244 PRESSAVG: 612800 18.2407 -24.7224 13.7452 -24.7224 -71.1541 -40.0092 13.7451 -40.0092 65.1837 GPRESSAVG: 612800 17.3259 -24.8783 14.4586 -25.4157 -70.7912 -39.2098 13.9459 -40.5769 65.7827 TIMING: 612800 CPU: 1780, 0.00290533/step Wall: 1780, 0.00290533/step, 3.54063 hours remaining, 204.855469 MB of memory in use. ENERGY: 612800 739.1608 2076.7349 2012.5919 108.0120 -206081.8894 17827.2075 0.0000 0.0000 34254.2365 -149063.9459 299.1508 -183318.1824 -148972.0654 299.6881 -79.3926 -45.7374 557914.2767 4.0901 4.1058 PRESSURE: 613000 -68.0429 48.2457 1.61917 48.2442 -0.746111 -56.1748 1.61811 -56.1768 -281.643 GPRESSURE: 613000 -94.9428 49.9841 -45.9924 47.6952 81.9103 -76.2891 61.4187 31.4174 -231.947 PRESSAVG: 613000 20.8713 -6.87722 0.0334166 -6.87729 -25.6471 3.78304 0.0334151 3.78301 -26.0263 GPRESSAVG: 613000 21.5018 -7.20602 -0.48757 -6.20766 -26.0551 2.34656 -0.68866 4.96398 -26.1767 TIMING: 613000 CPU: 1780.58, 0.00288313/step Wall: 1780.58, 0.00288313/step, 3.51341 hours remaining, 204.855469 MB of memory in use. ENERGY: 613000 740.7131 2131.5698 2001.6284 113.1665 -206063.7762 17802.9722 0.0000 0.0000 34280.3160 -148993.4102 299.3785 -183273.7262 -148901.1086 299.7765 -116.8107 -81.6600 558730.3826 -10.2674 -10.2433 PRESSURE: 613200 -268.083 68.9539 118.85 68.9531 -201.709 117.664 118.85 117.665 -132.904 GPRESSURE: 613200 -222.684 -22.8851 157.242 54.5004 -173.172 188.258 46.3528 46.4437 -112.065 PRESSAVG: 613200 54.7876 -6.8074 34.8664 -6.80739 8.45597 40.3206 34.8665 40.3206 -78.1465 GPRESSAVG: 613200 55.3896 -5.59828 34.5439 -6.83252 8.26225 40.8758 34.7887 39.0337 -78.5766 TIMING: 613200 CPU: 1781.15, 0.00287608/step Wall: 1781.15, 0.00287608/step, 3.50467 hours remaining, 204.855469 MB of memory in use. ENERGY: 613200 751.3740 2081.6711 1956.6715 117.2774 -206036.8103 17619.2509 0.0000 0.0000 34341.8297 -149168.7356 299.9157 -183510.5654 -149070.6085 299.7415 -200.8985 -169.3070 557855.4081 -4.9676 -4.9749 PRESSURE: 613400 -79.566 60.6825 206.324 60.6816 -140.818 -10.409 206.324 -10.4084 -130.489 GPRESSURE: 613400 -84.3907 -7.70547 236.058 102.516 -77.6817 -36.9377 191.718 109.072 -94.3204 PRESSAVG: 613400 -31.486 -21.2915 78.2437 -21.2915 -28.1435 12.4274 78.2437 12.4273 42.8715 GPRESSAVG: 613400 -32.1787 -22.5329 78.5455 -20.9697 -26.4982 10.8945 78.917 13.1625 42.0455 TIMING: 613400 CPU: 1781.74, 0.00290409/step Wall: 1781.74, 0.00290409/step, 3.53863 hours remaining, 204.855469 MB of memory in use. ENERGY: 613400 759.5217 2063.5819 1965.8383 116.7638 -205697.3398 17408.8362 0.0000 0.0000 34243.4548 -149139.3432 299.0566 -183382.7980 -149039.2013 299.5265 -116.9575 -85.4643 556606.0456 -5.5860 -5.5438 PRESSURE: 613600 -315.371 -52.2483 -51.577 -52.2475 100.318 -97.9173 -51.578 -97.917 -64.3157 GPRESSURE: 613600 -284.642 -15.3097 -6.69621 -85.3053 197.793 -45.5692 -79.7583 -25.648 -90.2307 PRESSAVG: 613600 28.4574 -30.8349 31.4516 -30.8349 38.5697 -10.1716 31.4517 -10.1715 25.2421 GPRESSAVG: 613600 26.6221 -29.5333 30.2429 -32.0268 38.3876 -8.83512 33.5029 -11.1062 27.5256 TIMING: 613600 CPU: 1782.32, 0.00291344/step Wall: 1782.32, 0.00291344/step, 3.54986 hours remaining, 204.855469 MB of memory in use. ENERGY: 613600 711.2604 2082.0790 1980.6924 124.9913 -205617.1749 17421.7296 0.0000 0.0000 34171.9552 -149124.4669 298.4322 -183296.4221 -149029.8752 298.9298 -93.1229 -59.0267 557130.3542 30.7564 30.8451 PRESSURE: 613800 -226.26 -61.882 96.0341 -61.8804 -155.443 -53.9374 96.035 -53.9375 -108.82 GPRESSURE: 613800 -186.931 -118.107 160.81 7.45934 -138.718 -105.083 53.9927 51.6321 -79.0957 PRESSAVG: 613800 -40.0877 12.7802 41.0487 12.7801 37.2726 -12.2753 41.0487 -12.2753 2.81187 GPRESSAVG: 613800 -39.2109 11.3786 41.7884 14.5703 37.1012 -12.7095 39.3731 -10.4611 2.70644 TIMING: 613800 CPU: 1782.9, 0.0028964/step Wall: 1782.9, 0.0028964/step, 3.52894 hours remaining, 204.855469 MB of memory in use. ENERGY: 613800 747.1255 2061.4296 1981.4447 110.3401 -205944.8562 17537.8331 0.0000 0.0000 34350.4961 -149156.1872 299.9914 -183506.6833 -149054.8175 299.1824 -163.5077 -134.9148 557907.7817 -0.0011 0.1989 PRESSURE: 614000 -52.4053 -9.18407 -61.4668 -9.18404 -126.487 -135.256 -61.4664 -135.255 -133.229 GPRESSURE: 614000 -9.78644 -78.3273 -68.4771 60.9263 -148.329 -208.293 -54.7959 -51.1019 -59.374 PRESSAVG: 614000 23.0919 -13.7904 13.9493 -13.7903 16.7747 5.23697 13.9494 5.23691 -46.7844 GPRESSAVG: 614000 23.0431 -11.5393 16.0632 -15.7 16.955 7.03333 13.9012 3.97492 -46.5433 TIMING: 614000 CPU: 1783.47, 0.00288378/step Wall: 1783.47, 0.00288378/step, 3.5134 hours remaining, 204.855469 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: 614000 739.0997 2029.4706 1940.7289 97.2862 -205961.6187 17592.3734 0.0000 0.0000 34169.2088 -149393.4510 298.4082 -183562.6598 -149296.0349 298.7936 -104.0404 -72.4963 557532.9569 -2.3060 -2.1817 PRESSURE: 614200 -34.3968 15.6678 68.2451 15.667 -283.375 52.8213 68.2442 52.8203 135.247 GPRESSURE: 614200 -44.0811 50.2559 -3.48657 -32.5691 -182.108 -14.9142 40.8891 96.6821 143.688 PRESSAVG: 614200 48.8703 4.05322 14.015 4.05327 -25.1529 -33.8983 14.0151 -33.8984 -8.07916 GPRESSAVG: 614200 48.8452 1.79793 11.4484 6.22659 -25.9313 -34.8136 14.5427 -33.4926 -7.67332 TIMING: 614200 CPU: 1784.05, 0.0028769/step Wall: 1784.05, 0.0028769/step, 3.50487 hours remaining, 204.855469 MB of memory in use. ENERGY: 614200 733.7731 2096.9666 1973.2179 107.4165 -205949.0714 17645.0716 0.0000 0.0000 33906.0905 -149486.5352 296.1103 -183392.6257 -149390.5759 298.0075 -60.8417 -27.5003 556647.5528 5.2127 5.0802 PRESSURE: 614400 143.43 -105.193 -166.893 -105.193 195.805 18.7598 -166.892 18.7597 -4.15689 GPRESSURE: 614400 160.844 -81.0507 -143.447 -198.327 225.992 26.1745 -182.622 3.71314 56.2404 PRESSAVG: 614400 58.8075 5.86522 -7.25268 5.86515 -15.9855 88.8819 -7.25262 88.8818 8.33776 GPRESSAVG: 614400 58.0312 7.058 -8.91355 4.12369 -14.9358 88.1001 -8.34077 88.9737 7.52453 TIMING: 614400 CPU: 1784.63, 0.00289818/step Wall: 1784.63, 0.00289818/step, 3.53063 hours remaining, 204.855469 MB of memory in use. ENERGY: 614400 764.0148 2125.0113 1956.8468 105.9552 -206810.2277 18145.0870 0.0000 0.0000 34088.5626 -149624.7500 297.7039 -183713.3125 -149528.9690 298.3040 111.6926 147.6924 555864.8824 17.0533 16.8733 PRESSURE: 614600 172.265 47.4798 56.8338 47.4796 -207.443 19.2927 56.8351 19.2927 80.2495 GPRESSURE: 614600 190.455 86.9708 31.7883 88.169 -180.429 66.6428 76.0193 -47.9486 137.115 PRESSAVG: 614600 -8.43468 -29.0712 -29.3483 -29.0712 -20.1092 7.57181 -29.3484 7.57187 55.5839 GPRESSAVG: 614600 -8.00816 -29.0257 -26.5001 -27.7743 -20.2746 8.56552 -26.7557 6.59673 54.9096 TIMING: 614600 CPU: 1785.21, 0.00289533/step Wall: 1785.21, 0.00289533/step, 3.527 hours remaining, 204.855469 MB of memory in use. ENERGY: 614600 712.8495 2085.8619 1987.2896 115.4938 -206604.1974 17820.4391 0.0000 0.0000 34109.1635 -149773.1001 297.8838 -183882.2636 -149681.9450 297.7746 15.0240 49.0469 556526.9212 9.0134 8.8756 PRESSURE: 614800 -44.2707 -41.6763 41.6639 -41.6772 -168.039 -35.783 41.6639 -35.7856 -276.512 GPRESSURE: 614800 -43.06 -16.2091 21.2578 19.8585 -117.87 -111.606 15.0824 145.624 -238.482 PRESSAVG: 614800 -18.2385 20.4121 -3.30746 20.4121 -37.5017 -12.3234 -3.30746 -12.3234 4.2852 GPRESSAVG: 614800 -17.9124 20.0699 -3.7829 20.1477 -37.9804 -14.3708 -5.48727 -9.21827 4.59269 TIMING: 614800 CPU: 1785.79, 0.00290305/step Wall: 1785.79, 0.00290305/step, 3.53624 hours remaining, 204.855469 MB of memory in use. ENERGY: 614800 722.2658 2093.4741 1997.6256 126.7915 -206518.7303 17747.4426 0.0000 0.0000 34205.6230 -149625.5078 298.7262 -183831.1307 -149532.8904 298.2355 -162.9406 -133.1372 558193.7536 -17.1516 -17.1000 PRESSURE: 615000 -295.799 65.2663 57.8829 65.2655 46.3456 -142.007 57.8819 -142.007 -207.649 GPRESSURE: 615000 -226.198 112.066 24.2021 55.3205 39.6101 -156.096 181.365 -71.8735 -178.422 PRESSAVG: 615000 25.3038 -3.93008 -15.3008 -3.93005 -31.3896 -20.6639 -15.3008 -20.6638 9.74156 GPRESSAVG: 615000 25.5474 -3.61767 -14.9832 -4.05076 -31.4181 -19.6366 -13.946 -24.1429 9.11836 TIMING: 615000 CPU: 1786.37, 0.00288997/step Wall: 1786.37, 0.00288997/step, 3.52014 hours remaining, 204.855469 MB of memory in use. ENERGY: 615000 730.4740 2127.1357 1965.0713 106.9879 -206349.1353 17741.9683 0.0000 0.0000 34077.8267 -149599.6714 297.6101 -183677.4981 -149509.2315 298.3984 -152.3673 -121.6701 558556.2766 1.2186 1.0825 PRESSURE: 615200 179.515 -28.082 -22.0902 -28.0812 -214.633 65.5846 -22.0898 65.5852 -37.7913 GPRESSURE: 615200 207.079 -7.02699 -56.0281 0.117322 -127.244 132.315 26.8646 23.0544 -36.6509 PRESSAVG: 615200 -30.3257 -6.35965 7.40879 -6.35963 1.59929 -9.77259 7.40885 -9.77272 55.982 GPRESSAVG: 615200 -31.2222 -6.76319 6.54025 -5.82627 1.52682 -9.44628 6.93837 -10.2039 56.7905 TIMING: 615200 CPU: 1786.95, 0.00289855/step Wall: 1786.95, 0.00289855/step, 3.53043 hours remaining, 204.855469 MB of memory in use. ENERGY: 615200 734.2173 2074.4230 1961.4949 115.5564 -206486.8952 17822.0566 0.0000 0.0000 34204.4212 -149574.7258 298.7157 -183779.1471 -149480.4115 297.8967 -24.3031 14.3946 556955.8932 9.0852 9.0317 PRESSURE: 615400 113.86 14.5469 -91.7698 14.5476 -210.485 2.54832 -91.7703 2.54821 -112.537 GPRESSURE: 615400 150.421 -34.782 -151.893 -9.17604 -158.408 9.85227 -53.545 18.957 -116.78 PRESSAVG: 615400 83.3188 -9.79894 38.917 -9.79887 -56.0794 -5.1432 38.917 -5.14316 8.81424 GPRESSAVG: 615400 83.4447 -9.32794 40.3515 -9.55539 -55.497 -5.03909 38.3509 -2.71427 8.32604 TIMING: 615400 CPU: 1787.52, 0.00289009/step Wall: 1787.52, 0.00289009/step, 3.51996 hours remaining, 204.855469 MB of memory in use. ENERGY: 615400 722.6632 2077.1757 1985.5526 119.5333 -206279.7696 17669.2989 0.0000 0.0000 34184.8602 -149520.6858 298.5449 -183705.5460 -149419.6370 298.4013 -69.7205 -41.5891 557035.2247 12.0179 12.0913 PRESSURE: 615600 -232.066 -113.092 -47.4011 -113.094 -405.592 -43.6123 -47.4018 -43.6122 -181.947 GPRESSURE: 615600 -175.298 -143.116 -0.785464 -206.533 -359.647 -1.34202 -71.2537 -112.319 -191.109 PRESSAVG: 615600 -5.42406 -25.1843 -25.5131 -25.1842 -45.7965 54.5345 -25.5131 54.5345 28.5442 GPRESSAVG: 615600 -5.5624 -23.1576 -27.1665 -27.1298 -46.7327 54.0467 -25.6956 53.6748 29.598 TIMING: 615600 CPU: 1788.1, 0.0028983/step Wall: 1788.1, 0.0028983/step, 3.52981 hours remaining, 204.855469 MB of memory in use. ENERGY: 615600 735.2663 2163.0835 1967.0779 99.3027 -205990.6816 17496.8972 0.0000 0.0000 34018.6047 -149510.4493 297.0929 -183529.0540 -149411.8455 298.8561 -273.2016 -242.0183 557796.8068 -7.5588 -7.5657 PRESSURE: 615800 6.18573 -87.4953 35.0993 -87.4942 -225.533 -17.1834 35.1007 -17.1839 -180.707 GPRESSURE: 615800 5.33025 -26.9087 -17.8518 -64.1538 -174.573 -68.5986 73.0666 -40.4666 -133.996 PRESSAVG: 615800 -1.79912 -44.6464 -27.2844 -44.6464 -44.735 4.354 -27.2844 4.35392 13.5119 GPRESSAVG: 615800 -1.61806 -44.5425 -27.1217 -43.4177 -43.2882 4.34811 -26.7901 4.8036 11.6405 TIMING: 615800 CPU: 1788.69, 0.00290232/step Wall: 1788.69, 0.00290232/step, 3.53454 hours remaining, 204.855469 MB of memory in use. ENERGY: 615800 717.6864 2121.9758 1974.7291 99.5517 -206381.5402 17656.7400 0.0000 0.0000 34345.3101 -149465.5472 299.9461 -183810.8572 -149366.8109 298.9528 -133.3513 -101.0796 557235.8599 -11.0074 -11.0886 PRESSURE: 616000 73.9195 -138.231 -68.0234 -138.233 81.6342 -77.9414 -68.0234 -77.9431 128.888 GPRESSURE: 616000 129.842 -140.498 -111.448 -175.729 118.971 -67.2093 -80.0604 -132.796 141.177 PRESSAVG: 616000 31.5546 5.21235 92.8425 5.21238 35.3899 37.2168 92.8425 37.2169 -53.4793 GPRESSAVG: 616000 32.7023 3.89578 93.5848 3.77642 33.7688 37.8525 93.5142 36.5525 -52.9309 TIMING: 616000 CPU: 1789.27, 0.00292785/step Wall: 1789.27, 0.00292785/step, 3.56547 hours remaining, 204.855469 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: 616000 769.8309 2077.9355 1961.0563 112.1439 -206716.5478 18034.5568 0.0000 0.0000 34359.1028 -149401.9216 300.0666 -183761.0244 -149304.1441 298.7622 94.8140 129.9966 556490.1913 4.4884 4.5134 PRESSURE: 616200 -280.746 147.808 -14.2248 147.807 -213.952 146.723 -14.224 146.725 -31.2135 GPRESSURE: 616200 -205.687 121.81 11.1815 177.648 -226.455 137.177 -35.5103 130.595 -13.8189 PRESSAVG: 616200 21.2523 -3.37611 27.9908 -3.37619 -5.47079 26.7104 27.9909 26.7104 -9.7951 GPRESSAVG: 616200 19.8922 -2.63562 27.2773 -2.62744 -4.49849 25.0799 27.2442 27.9799 -9.9944 TIMING: 616200 CPU: 1789.85, 0.00289272/step Wall: 1789.85, 0.00289272/step, 3.52253 hours remaining, 204.855469 MB of memory in use. ENERGY: 616200 750.1494 2050.6272 1982.3600 112.1053 -205944.0102 17617.1735 0.0000 0.0000 34236.0695 -149195.5254 298.9921 -183431.5948 -149094.6522 299.0544 -175.3039 -148.6536 559229.0579 1.9955 1.7998 LDB: ============= START OF LOAD BALANCING ============== 1793.32 LDB: ============== END OF LOAD BALANCING =============== 1793.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1793.32 LDB: ============= START OF LOAD BALANCING ============== 1793.61 LDB: Largest compute 4855 load 0.028154 is 23.9% of average load 0.117570 LDB: Average compute 0.001739 is 1.5% of average load 0.117570 LDB: TIME 1793.61 LOAD: AVG 0.11757 MAX 0.178307 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.598 MB LDB: TIME 1793.61 LOAD: AVG 0.11757 MAX 0.178307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.707 MB LDB: TIME 1793.61 LOAD: AVG 0.11757 MAX 0.178307 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1793.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1793.62 PRESSURE: 616400 -90.098 -28.8182 161.602 -28.8182 -48.9563 -43.9651 161.603 -43.9642 -243.066 GPRESSURE: 616400 -17.9192 1.36424 178.429 -6.78982 -76.4564 -46.6915 81.7834 7.81537 -199.496 PRESSAVG: 616400 -10.2374 -18.8501 -3.29311 -18.8501 23.695 20.4847 -3.29309 20.4846 21.4101 GPRESSAVG: 616400 -10.1824 -20.9285 -1.88845 -17.126 22.6984 19.9464 -3.65398 20.8151 22.4987 TIMING: 616400 CPU: 1790.44, 0.00296526/step Wall: 1790.44, 0.00296526/step, 3.61069 hours remaining, 203.394531 MB of memory in use. ENERGY: 616400 791.7451 2027.5886 1981.1006 113.8056 -206045.7802 17647.0032 0.0000 0.0000 34158.9075 -149325.6296 298.3182 -183484.5371 -149230.6452 298.8940 -127.3735 -97.9572 556946.6424 11.6226 11.6715 PRESSURE: 616600 -132.951 81.301 41.6516 81.3017 -100.273 28.5174 41.6512 28.5173 -11.8399 GPRESSURE: 616600 -115.327 75.8077 11.4711 64.3527 -66.6674 13.1657 96.5154 21.0377 42.0592 PRESSAVG: 616600 -53.1437 7.09479 -23.2341 7.09478 57.8345 -32.6993 -23.2341 -32.6994 10.7631 GPRESSAVG: 616600 -52.5137 8.26367 -24.8824 4.73259 58.0405 -31.6328 -22.5453 -33.2768 10.0675 TIMING: 616600 CPU: 1791.02, 0.00289141/step Wall: 1791.02, 0.00289141/step, 3.52061 hours remaining, 203.597656 MB of memory in use. ENERGY: 616600 712.7900 2088.0014 1974.4079 104.2150 -206252.6122 17700.2618 0.0000 0.0000 34492.2331 -149180.7029 301.2293 -183672.9360 -149078.3181 299.2814 -81.6880 -46.6451 557601.6567 5.1513 5.1981 PRESSURE: 616800 -253.71 93.5991 21.3649 93.5989 -222.492 -50.0988 21.3645 -50.0979 118.819 GPRESSURE: 616800 -211.781 -18.6218 41.4613 227.799 -149.916 -72.7569 19.8031 -59.3922 113.298 PRESSAVG: 616800 69.6109 18.5428 -10.5721 18.5428 -101.736 55.1042 -10.5721 55.1043 7.86335 GPRESSAVG: 616800 68.3836 18.6431 -10.5397 18.3959 -101.22 54.6465 -10.6483 55.5719 7.63695 TIMING: 616800 CPU: 1791.6, 0.00289394/step Wall: 1791.6, 0.00289394/step, 3.52353 hours remaining, 203.675781 MB of memory in use. ENERGY: 616800 736.0048 2071.1659 1986.3780 109.4243 -205834.2049 17541.7435 0.0000 0.0000 34245.1928 -149144.2956 299.0718 -183389.4883 -149050.7730 299.4910 -119.1277 -82.7995 558017.1318 -8.0872 -8.3998 PRESSURE: 617000 169.341 129.663 119.62 129.663 -5.23025 75.7785 119.62 75.7785 110.147 GPRESSURE: 617000 178.58 183.074 134.863 115.865 29.9314 80.8968 47.1527 41.3694 156.108 PRESSAVG: 617000 20.7723 14.4824 -18.3309 14.4824 -60.5099 28.3023 -18.3309 28.3022 35.2805 GPRESSAVG: 617000 21.424 13.7662 -20.0712 15.4821 -61.2006 30.2766 -15.7426 24.7861 35.4828 TIMING: 617000 CPU: 1792.18, 0.00289356/step Wall: 1792.18, 0.00289356/step, 3.52291 hours remaining, 203.707031 MB of memory in use. ENERGY: 617000 702.0643 2045.4151 1971.6732 107.6014 -205986.3115 17806.1333 0.0000 0.0000 34329.5417 -149023.8824 299.8084 -183353.4242 -148927.1115 299.4994 91.4195 121.5396 556692.1949 -1.4857 -1.4313 PRESSURE: 617200 -209.589 86.7113 93.1577 86.7113 -86.957 -143.663 93.1572 -143.66 -226.356 GPRESSURE: 617200 -93.9959 96.0493 94.6836 -6.18923 -100.218 -79.6416 120.256 -181.672 -233.262 PRESSAVG: 617200 24.2532 38.5492 2.10254 38.5492 1.53671 -15.3003 2.10255 -15.3003 -46.3049 GPRESSAVG: 617200 24.1237 39.2618 3.24838 38.9391 1.1592 -16.4844 1.04403 -14.1256 -45.6976 TIMING: 617200 CPU: 1792.76, 0.00289384/step Wall: 1792.76, 0.00289384/step, 3.52309 hours remaining, 203.707031 MB of memory in use. ENERGY: 617200 717.6622 2097.8186 1982.2691 106.5683 -205751.4904 17632.8180 0.0000 0.0000 34092.4417 -149121.9123 297.7378 -183214.3540 -149026.8990 298.9915 -174.3007 -142.4919 559165.5504 -6.8383 -6.8049 PRESSURE: 617400 -191.621 -88.0983 -134.917 -88.0978 -99.0588 -22.2851 -134.918 -22.2855 -274.819 GPRESSURE: 617400 -217.64 -122.202 -180.402 -121.697 -77.6688 82.018 -167.296 -166.367 -183.87 PRESSAVG: 617400 -22.4679 33.5896 3.90918 33.5896 -20.2444 -21.9333 3.90915 -21.9334 8.59724 GPRESSAVG: 617400 -23.0508 32.0121 3.21232 33.8421 -20.4332 -22.7915 2.39852 -22.8522 9.31381 TIMING: 617400 CPU: 1793.34, 0.00289426/step Wall: 1793.34, 0.00289426/step, 3.52344 hours remaining, 203.707031 MB of memory in use. ENERGY: 617400 742.9420 2166.9154 1981.3803 105.3270 -205933.1671 17490.9207 0.0000 0.0000 34252.7203 -149192.9614 299.1375 -183445.6817 -149092.1375 298.8912 -188.4994 -159.7265 558282.5028 -11.3717 -11.3901 PRESSURE: 617600 -39.2259 21.1564 3.7413 21.1574 -55.5743 -203.32 3.74177 -203.32 -74.4914 GPRESSURE: 617600 22.8883 -13.7546 38.8133 96.5103 -24.1098 -158.929 -53.4167 -104.048 -52.396 PRESSAVG: 617600 -26.0528 -39.0728 -21.5595 -39.0729 24.7196 -54.8045 -21.5595 -54.8044 16.7269 GPRESSAVG: 617600 -26.4324 -36.4328 -19.3219 -41.1985 25.2866 -53.9837 -21.6567 -53.2118 16.8962 TIMING: 617600 CPU: 1793.91, 0.00289636/step Wall: 1793.91, 0.00289636/step, 3.52583 hours remaining, 203.707031 MB of memory in use. ENERGY: 617600 700.6226 2077.0459 1986.4343 126.5472 -205739.4243 17586.5632 0.0000 0.0000 34141.8036 -149120.4074 298.1689 -183262.2110 -149019.1508 299.4477 -56.4305 -17.8725 557336.2137 5.1312 5.2501 PRESSURE: 617800 -125.962 -43.4139 -56.3199 -43.4134 -254.771 -157.861 -56.3203 -157.862 -197.809 GPRESSURE: 617800 -80.956 -68.9744 -10.9197 93.7045 -237.309 -147.707 -76.2901 -115.637 -165.253 PRESSAVG: 617800 -26.7987 -18.036 17.5449 -18.036 61.8132 10.2458 17.5448 10.2456 -18.558 GPRESSAVG: 617800 -26.1346 -19.0318 16.2667 -16.1811 61.6566 9.95135 18.7835 10.9354 -19.5046 TIMING: 617800 CPU: 1794.49, 0.00289255/step Wall: 1794.49, 0.00289255/step, 3.52103 hours remaining, 203.707031 MB of memory in use. ENERGY: 617800 753.4020 2134.8895 1990.8797 108.2121 -205962.3855 17718.5430 0.0000 0.0000 34287.1648 -148969.2945 299.4383 -183256.4593 -148873.9015 299.0989 -192.8474 -161.1727 559147.8192 5.4855 5.3391 PRESSURE: 618000 16.0769 -156.407 99.0619 -156.407 -77.532 62.3378 99.0634 62.3373 -283.346 GPRESSURE: 618000 78.9949 -98.951 133.185 -235.279 -94.455 -44.3993 28.4917 104.289 -241.484 PRESSAVG: 618000 -15.7957 17.578 -60.0278 17.578 16.4212 -47.6038 -60.0278 -47.6037 8.0746 GPRESSAVG: 618000 -15.0008 17.6438 -59.8832 14.5193 16.5277 -49.138 -60.1193 -47.9831 7.38315 TIMING: 618000 CPU: 1795.07, 0.0029031/step Wall: 1795.07, 0.0029031/step, 3.53372 hours remaining, 203.707031 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: 618000 731.5431 2113.9053 1994.1980 112.1160 -206043.1060 17662.5698 0.0000 0.0000 34245.8278 -149182.9461 299.0773 -183428.7738 -149086.7163 299.4780 -114.9336 -85.6480 558124.1874 2.9000 2.9700 PRESSURE: 618200 -122.334 -157.759 138.008 -157.76 -271.713 -82.9656 138.009 -82.9656 -298.136 GPRESSURE: 618200 -123.651 -64.8696 160.009 -241.986 -238.36 -64.7295 159.266 -74.6373 -239.88 PRESSAVG: 618200 -0.127383 -41.5866 -22.7976 -41.5866 -35.0103 -74.0585 -22.7977 -74.0586 18.976 GPRESSAVG: 618200 -0.8871 -38.3668 -22.4696 -40.9764 -34.3749 -73.5519 -23.3529 -74.9295 19.2174 TIMING: 618200 CPU: 1795.66, 0.00292119/step Wall: 1795.66, 0.00292119/step, 3.55557 hours remaining, 203.707031 MB of memory in use. ENERGY: 618200 748.9701 2104.4841 1977.7494 116.9377 -205849.1447 17565.2954 0.0000 0.0000 34128.5697 -149207.1384 298.0533 -183335.7081 -149115.2744 299.0044 -230.7279 -200.6305 560262.4706 -5.3872 -5.3482 PRESSURE: 618400 -203.451 -44.0534 -228.066 -44.0536 212.017 -26.7721 -228.064 -26.7716 282.271 GPRESSURE: 618400 -121.406 -141.077 -180.521 0.0749129 225.367 -44.8337 -191.236 -80.0371 277.711 PRESSAVG: 618400 -13.0793 -33.8184 1.07205 -33.8184 -23.259 -38.8479 1.07196 -38.8478 61.779 GPRESSAVG: 618400 -13.92 -36.4967 -0.997009 -30.5201 -23.4359 -39.7382 2.55221 -38.0585 62.4706 TIMING: 618400 CPU: 1796.24, 0.00291282/step Wall: 1796.24, 0.00291282/step, 3.54523 hours remaining, 203.707031 MB of memory in use. ENERGY: 618400 755.8191 2085.0102 1980.3004 119.3278 -205972.8399 17883.6061 0.0000 0.0000 34106.4015 -149042.3748 297.8597 -183148.7764 -148944.2913 299.2746 96.9458 127.2239 556970.8425 8.4802 8.3716 PRESSURE: 618600 -10.6235 43.1875 15.732 43.187 -356.973 -23.5064 15.7311 -23.5084 94.7819 GPRESSURE: 618600 6.11045 27.7437 51.3538 0.456754 -274.674 -74.3573 -29.6358 22.3035 94.2855 PRESSAVG: 618600 -17.1259 39.6521 -15.456 39.6521 15.6669 -30.6381 -15.456 -30.6381 -4.26275 GPRESSAVG: 618600 -16.1102 39.2823 -13.8686 36.6386 15.3575 -28.7189 -16.5128 -30.9502 -4.43843 TIMING: 618600 CPU: 1796.83, 0.00293244/step Wall: 1796.83, 0.00293244/step, 3.56894 hours remaining, 203.707031 MB of memory in use. ENERGY: 618600 735.4557 2120.8431 1958.0989 116.8848 -205808.0586 17367.0476 0.0000 0.0000 34459.8924 -149049.8362 300.9468 -183509.7286 -148955.2102 300.0747 -90.9382 -58.0928 555932.4922 -1.9073 -1.7304 PRESSURE: 618800 243.216 100.204 125.465 100.203 -326.75 -24.0196 125.465 -24.0201 -110.246 GPRESSURE: 618800 238.034 119.95 194.165 119.156 -350.033 -7.72614 28.9918 20.4967 11.464 PRESSAVG: 618800 2.53066 -5.82848 0.10764 -5.82855 4.79806 -11.3413 0.107525 -11.3413 53.7388 GPRESSAVG: 618800 2.96815 -6.81057 -0.571772 -2.67192 4.41898 -11.357 0.731003 -11.728 53.644 TIMING: 618800 CPU: 1797.41, 0.00293069/step Wall: 1797.41, 0.00293069/step, 3.56665 hours remaining, 203.707031 MB of memory in use. ENERGY: 618800 759.2041 2075.1626 1966.0699 117.9387 -206146.8287 17756.7549 0.0000 0.0000 34269.4278 -149202.2708 299.2834 -183471.6986 -149102.9886 299.9547 -64.5932 -33.5118 557409.5078 20.3559 20.3437 PRESSURE: 619000 -336.983 -12.9027 99.0561 -12.9019 -287.831 59.7887 99.0585 59.7896 -155.308 GPRESSURE: 619000 -250.707 -23.0882 40.366 -29.0849 -267.889 -14.2824 163.487 83.3806 -168.464 PRESSAVG: 619000 4.34867 58.957 14.2281 58.957 -48.7752 -36.5194 14.2282 -36.5195 4.86852 GPRESSAVG: 619000 4.49633 58.8063 13.8792 57.7822 -48.5526 -37.1552 15.7225 -35.4335 4.33201 TIMING: 619000 CPU: 1798, 0.00292573/step Wall: 1798, 0.00292573/step, 3.56045 hours remaining, 203.707031 MB of memory in use. ENERGY: 619000 761.6794 2103.8930 1982.7733 120.4553 -205578.4182 17408.4787 0.0000 0.0000 33995.4285 -149205.7100 296.8905 -183201.1386 -149101.5695 298.9091 -260.0405 -229.0199 558553.2973 -13.1860 -13.2414 PRESSURE: 619200 -1.72696 138.632 34.442 138.632 -184.6 23.116 34.442 23.1155 -291.794 GPRESSURE: 619200 19.0256 178.43 64.0702 112.238 -159.82 0.202981 7.49096 94.1989 -253.406 PRESSAVG: 619200 -5.90695 11.8082 -17.8562 11.8082 14.6967 40.2392 -17.8562 40.2391 -7.83176 GPRESSAVG: 619200 -5.99943 14.5133 -15.735 13.4514 14.594 40.1003 -20.3822 38.6737 -8.05434 TIMING: 619200 CPU: 1798.58, 0.00292365/step Wall: 1798.58, 0.00292365/step, 3.55776 hours remaining, 203.707031 MB of memory in use. ENERGY: 619200 731.9863 2107.2037 1977.9969 102.5102 -206073.6443 17587.7314 0.0000 0.0000 34304.1691 -149262.0468 299.5868 -183566.2158 -149169.0598 299.2755 -159.3735 -131.3998 558389.3805 0.3193 0.1801 PRESSURE: 619400 151.711 99.8469 54.9357 99.8488 366.841 -107.102 54.9362 -107.104 -43.1434 GPRESSURE: 619400 127.493 59.3713 22.3032 190.768 444.737 -58.4481 17.5261 -174.527 -3.80885 PRESSAVG: 619400 -5.31466 10.9538 9.19237 10.9538 66.3202 4.92826 9.19236 4.92829 -51.0298 GPRESSAVG: 619400 -5.5841 9.13259 8.14817 9.72869 66.3493 6.64432 8.86721 4.88517 -50.6684 TIMING: 619400 CPU: 1799.17, 0.00292549/step Wall: 1799.17, 0.00292549/step, 3.55983 hours remaining, 203.707031 MB of memory in use. ENERGY: 619400 731.8371 2047.5868 1983.3764 109.6741 -206381.9506 18097.7619 0.0000 0.0000 34112.9631 -149298.7512 297.9170 -183411.7143 -149199.7272 299.3073 158.4694 189.4737 557218.9096 3.3252 3.3656 PRESSURE: 619600 -337.637 2.28386 201.48 2.28368 52.7039 -88.8603 201.479 -88.8617 214.307 GPRESSURE: 619600 -342.122 -26.7574 218.994 73.0036 148.97 -160.564 197.647 -4.27342 215.128 PRESSAVG: 619600 -55.1547 -13.6316 -1.81639 -13.6315 77.009 -34.0923 -1.81635 -34.0923 5.12842 GPRESSAVG: 619600 -55.3621 -11.803 -2.30293 -12.5752 77.1029 -36.1411 -0.20218 -31.9504 5.08132 TIMING: 619600 CPU: 1799.76, 0.00293522/step Wall: 1799.76, 0.00293522/step, 3.57151 hours remaining, 203.707031 MB of memory in use. ENERGY: 619600 753.9284 2064.1920 2015.1860 116.0173 -206201.2153 17843.5221 0.0000 0.0000 34247.2345 -149161.1350 299.0896 -183408.3695 -149065.7625 298.9048 -23.5423 7.3256 558793.4272 8.9942 8.9407 PRESSURE: 619800 -53.3809 -59.0258 82.3977 -59.0251 155.171 -10.2922 82.398 -10.2925 199.602 GPRESSURE: 619800 -25.9716 -24.188 93.2304 -52.0954 156.367 25.8685 44.2037 -29.1346 263.152 PRESSAVG: 619800 -79.9194 13.7076 -25.4944 13.7076 98.4531 4.73549 -25.4944 4.73548 -17.1137 GPRESSAVG: 619800 -81.0947 12.8616 -26.184 11.7988 98.3547 6.29499 -25.7638 3.0557 -16.0886 TIMING: 619800 CPU: 1800.34, 0.00291141/step Wall: 1800.34, 0.00291141/step, 3.54238 hours remaining, 203.707031 MB of memory in use. ENERGY: 619800 748.5443 2096.5007 1960.5251 112.6465 -206379.6747 18024.7910 0.0000 0.0000 34314.3416 -149122.3255 299.6757 -183436.6670 -149021.0317 299.2683 100.4641 131.1823 558228.0655 0.4733 0.3904 PRESSURE: 620000 -128.519 28.7412 -60.9027 28.742 104.129 -2.73565 -60.9035 -2.73631 10.0562 GPRESSURE: 620000 -100.735 -59.237 -135.037 0.20605 112.761 -8.38669 17.2036 35.5266 63.9159 PRESSAVG: 620000 -18.4367 -18.8392 10.4963 -18.8392 -8.26988 16.3383 10.4963 16.3384 10.8527 GPRESSAVG: 620000 -17.5805 -20.051 11.3301 -17.3453 -8.50185 15.3696 10.6737 17.5542 9.94583 TIMING: 620000 CPU: 1800.92, 0.00290223/step Wall: 1800.92, 0.00290223/step, 3.53104 hours remaining, 203.707031 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: 620000 741.7873 2000.5434 1983.9568 126.2652 -206616.0337 18027.2467 0.0000 0.0000 34351.4034 -149384.8308 299.9994 -183736.2343 -149286.5219 299.1414 -4.7782 25.3137 558677.4089 -5.2846 -5.3789 PRESSURE: 620200 141.908 -48.0431 -71.418 -48.0437 -333.346 -27.5154 -71.4184 -27.5156 31.138 GPRESSURE: 620200 156.962 -68.9176 1.9284 -16.8272 -282.564 -98.8905 -161.79 -51.552 58.6622 PRESSAVG: 620200 -21.0721 23.0442 -36.8991 23.0441 -13.5896 -11.6945 -36.8991 -11.6945 1.77832 GPRESSAVG: 620200 -20.1212 24.2465 -36.5745 21.9081 -13.4956 -10.4766 -37.2841 -10.7816 0.949561 TIMING: 620200 CPU: 1801.5, 0.00291114/step Wall: 1801.5, 0.00291114/step, 3.54172 hours remaining, 203.707031 MB of memory in use. ENERGY: 620200 760.4193 2090.5147 1979.4618 121.9945 -206430.2510 17958.5446 0.0000 0.0000 34169.4625 -149349.8536 298.4104 -183519.3161 -149252.9195 298.8393 -53.4334 -22.3133 558446.7635 -10.9611 -10.8891 LDB: ============= START OF LOAD BALANCING ============== 1804.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1804.97 LDB: =============== DONE WITH MIGRATION ================ 1804.97 LDB: ============= START OF LOAD BALANCING ============== 1805.26 LDB: Largest compute 4855 load 0.028295 is 24.1% of average load 0.117597 LDB: Average compute 0.001725 is 1.5% of average load 0.117597 LDB: TIME 1805.27 LOAD: AVG 0.117597 MAX 0.177597 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.52 MB LDB: TIME 1805.27 LOAD: AVG 0.117597 MAX 0.177597 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.719 MB LDB: TIME 1805.27 LOAD: AVG 0.117597 MAX 0.177597 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.719 MB LDB: ============== END OF LOAD BALANCING =============== 1805.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1805.27 PRESSURE: 620400 167.648 102.083 95.33 102.083 129.344 154.715 95.3298 154.715 3.33208 GPRESSURE: 620400 210.668 87.5181 133.313 -43.6683 143.88 127.232 95.0603 149.539 36.4914 PRESSAVG: 620400 -3.02773 68.9423 -35.3309 68.9423 -45.3347 21.1742 -35.3308 21.1742 54.7566 GPRESSAVG: 620400 -3.17788 70.2983 -35.1789 66.8907 -45.1395 21.0869 -34.6738 19.5153 54.5825 TIMING: 620400 CPU: 1802.1, 0.00298157/step Wall: 1802.1, 0.00298157/step, 3.62724 hours remaining, 203.937500 MB of memory in use. ENERGY: 620400 749.5120 2103.9868 1975.5659 107.5969 -206870.6275 18190.7291 0.0000 0.0000 34269.9908 -149473.2459 299.2884 -183743.2367 -149375.2351 298.4793 100.1083 130.3466 557699.3400 2.1314 2.0884 PRESSURE: 620600 -243.936 38.5102 44.842 38.5093 -109.899 134.674 44.8434 134.674 -177.784 GPRESSURE: 620600 -252.981 11.485 36.37 108.96 -109.471 210.313 -42.12 89.2919 -86.6251 PRESSAVG: 620600 -30.9822 21.167 29.2113 21.1669 45.2538 23.4088 29.2113 23.409 20.9773 GPRESSAVG: 620600 -30.7675 21.3492 29.463 22.365 44.321 25.4123 26.6129 20.5023 21.9414 TIMING: 620600 CPU: 1802.68, 0.00292282/step Wall: 1802.68, 0.00292282/step, 3.55561 hours remaining, 204.199219 MB of memory in use. ENERGY: 620600 772.5905 2067.0725 1958.1197 109.1969 -206298.7908 17644.8259 0.0000 0.0000 34132.3083 -149614.6769 298.0859 -183746.9852 -149522.2840 297.9391 -177.2063 -149.6923 557285.6720 11.7496 11.8316 PRESSURE: 620800 -170.327 60.5088 110.151 60.5081 109.321 -127.023 110.151 -127.022 21.3639 GPRESSURE: 620800 -168.015 83.4961 75.414 120.315 161.434 -76.4425 210.275 -90.3117 61.7306 PRESSAVG: 620800 27.7574 -11.8549 64.8593 -11.8549 -38.9188 67.0787 64.8594 67.0786 -6.10172 GPRESSAVG: 620800 27.4162 -12.7905 64.2134 -12.1763 -38.9561 65.4858 66.8457 68.2289 -5.67001 TIMING: 620800 CPU: 1803.26, 0.00289165/step Wall: 1803.26, 0.00289165/step, 3.51754 hours remaining, 204.199219 MB of memory in use. ENERGY: 620800 739.3930 2108.7772 1963.6649 120.0111 -206204.2296 17729.3716 0.0000 0.0000 33980.5165 -149562.4953 296.7603 -183543.0118 -149474.5759 297.7130 -13.2139 18.3832 557006.4406 -5.7544 -5.7366 PRESSURE: 621000 14.4705 1.66064 64.5761 1.65848 -44.1091 79.5865 64.5761 79.5852 -75.6432 GPRESSURE: 621000 60.3246 -91.3771 84.4342 46.1499 -91.1284 17.3076 -8.85051 105.607 38.0899 PRESSAVG: 621000 -4.89411 -30.1479 19.5064 -30.1478 49.1576 36.1242 19.5064 36.1242 7.98813 GPRESSAVG: 621000 -3.44043 -29.4496 18.9075 -29.0733 48.777 34.868 19.7968 37.9433 7.41468 TIMING: 621000 CPU: 1803.84, 0.00292465/step Wall: 1803.84, 0.00292465/step, 3.55751 hours remaining, 204.199219 MB of memory in use. ENERGY: 621000 716.7499 2110.2732 1971.7619 126.0495 -206268.5346 17674.2717 0.0000 0.0000 34107.9371 -149561.4913 297.8731 -183669.4284 -149466.6297 298.8263 -35.0939 2.4287 556067.0353 17.4172 17.5838 PRESSURE: 621200 -77.8316 -211.821 -127.95 -211.819 -168.514 -55.6054 -127.95 -55.6055 -25.2542 GPRESSURE: 621200 -32.0943 -198.2 -245.519 -140.39 -83.9397 -37.8446 -61.5748 -15.5071 -56.3613 PRESSAVG: 621200 13.1517 -50.259 -68.0941 -50.2591 25.1589 -1.74589 -68.0941 -1.74588 -8.88158 GPRESSAVG: 621200 12.297 -48.6357 -67.52 -50.062 25.7536 -1.10971 -67.5518 -1.40702 -8.69503 TIMING: 621200 CPU: 1804.43, 0.00291583/step Wall: 1804.43, 0.00291583/step, 3.54663 hours remaining, 204.199219 MB of memory in use. ENERGY: 621200 748.9442 2080.1173 1991.1048 113.7406 -206242.1940 17764.2405 0.0000 0.0000 34150.1024 -149393.9441 298.2413 -183544.0466 -149308.0658 298.1426 -90.5334 -57.4651 556725.9605 9.8097 9.7852 PRESSURE: 621400 361.822 -85.3685 25.3528 -85.3692 280.918 241.656 25.3536 241.655 73.1134 GPRESSURE: 621400 413.407 -152.462 -33.8235 -49.6286 325.063 234.548 107.879 272.291 83.5582 PRESSAVG: 621400 28.0653 -41.6483 29.047 -41.6482 4.76932 -7.48764 29.0471 -7.48767 20.9783 GPRESSAVG: 621400 27.7709 -43.2862 29.2379 -42.8669 3.42042 -10.0365 26.3896 -6.05473 22.6676 TIMING: 621400 CPU: 1805.01, 0.00289272/step Wall: 1805.01, 0.00289272/step, 3.51835 hours remaining, 204.199219 MB of memory in use. ENERGY: 621400 709.6217 2098.6357 1971.8584 104.8921 -206458.0389 18083.3399 0.0000 0.0000 34157.5454 -149332.1458 298.3063 -183489.6911 -149237.9505 298.9840 238.6177 274.0094 555447.7589 17.9377 17.9530 PRESSURE: 621600 153.802 56.7925 79.899 56.7921 18.4148 -85.1301 79.8991 -85.1291 -88.9836 GPRESSURE: 621600 173.907 64.7237 151.429 103.85 78.8379 -107.234 67.9471 -132.711 -77.8705 PRESSAVG: 621600 5.14146 8.4453 4.65219 8.44527 -32.1138 32.7372 4.65215 32.7372 35.9981 GPRESSAVG: 621600 5.01247 9.59166 5.2267 10.345 -31.2081 35.1378 5.42791 30.4825 35.5865 TIMING: 621600 CPU: 1805.58, 0.00287831/step Wall: 1805.58, 0.00287831/step, 3.50067 hours remaining, 204.199219 MB of memory in use. ENERGY: 621600 765.8932 2073.2218 1978.9383 118.6537 -206540.4967 18084.2313 0.0000 0.0000 34303.9074 -149215.6509 299.5846 -183519.5583 -149120.3007 298.9162 27.7445 58.2916 557044.8538 3.0086 3.1303 PRESSURE: 621800 -500.563 39.416 15.4961 39.4167 -292.816 33.7844 15.4955 33.785 64.1012 GPRESSURE: 621800 -441.472 28.3778 36.2634 -13.7044 -188.117 116.267 -53.318 -51.8235 -3.02655 PRESSAVG: 621800 -23.1622 -32.168 0.879198 -32.168 -19.8942 32.2988 0.879158 32.2989 62.039 GPRESSAVG: 621800 -22.4059 -32.7908 0.19655 -33.2977 -19.6077 31.4404 1.90203 29.676 60.6803 TIMING: 621800 CPU: 1806.16, 0.00289478/step Wall: 1806.16, 0.00289478/step, 3.52053 hours remaining, 204.199219 MB of memory in use. ENERGY: 621800 765.3600 2073.5875 1978.0703 107.6719 -205767.3947 17502.9166 0.0000 0.0000 34223.3482 -149116.4402 298.8810 -183339.7884 -149027.5581 299.2170 -243.0927 -210.8716 559364.9806 6.3276 6.2222 PRESSURE: 622000 -24.4884 35.3397 -17.6399 35.3392 -125.783 40.9891 -17.6401 40.9884 -65.003 GPRESSURE: 622000 -25.6541 28.6233 -49.3321 31.9726 -110.703 7.06056 42.2528 57.4264 22.2712 PRESSAVG: 622000 33.734 -4.39255 21.2365 -4.39263 -69.6252 -5.71696 21.2366 -5.71709 47.9397 GPRESSAVG: 622000 32.1503 -5.04164 22.1378 -3.54174 -70.1006 -4.98529 20.5361 -3.71551 50.2196 TIMING: 622000 CPU: 1806.74, 0.00291477/step Wall: 1806.74, 0.00291477/step, 3.54469 hours remaining, 204.199219 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: 622000 745.2874 2099.9332 1994.4827 122.0264 -206255.9406 17693.2067 0.0000 0.0000 34346.3258 -149254.6783 299.9550 -183601.0042 -149153.0506 299.8942 -71.7581 -38.0285 555843.8325 4.0162 4.0897 PRESSURE: 622200 -282.806 8.01569 202.074 8.01661 -27.0216 25.0782 202.075 25.0781 125.165 GPRESSURE: 622200 -183.875 81.1737 218.281 -39.208 -27.8918 46.8301 209.121 -24.0408 122.388 PRESSAVG: 622200 -8.46728 -52.1382 17.9404 -52.1383 -7.01334 -30.4869 17.9403 -30.4869 25.3325 GPRESSAVG: 622200 -7.71352 -50.5879 17.8051 -52.943 -5.79596 -30.1008 18.9303 -31.5665 23.5109 TIMING: 622200 CPU: 1807.32, 0.00289386/step Wall: 1807.32, 0.00289386/step, 3.51909 hours remaining, 204.199219 MB of memory in use. ENERGY: 622200 801.7246 2108.3088 2008.3867 123.7180 -206383.2175 17795.0561 0.0000 0.0000 34293.6310 -149252.3923 299.4948 -183546.0233 -149163.6364 299.1041 -61.5541 -29.7928 556850.6873 3.2840 3.3338 PRESSURE: 622400 -255.977 -61.3544 -75.803 -61.3543 11.388 66.451 -75.8033 66.4499 55.8345 GPRESSURE: 622400 -211.825 -19.6356 -65.3205 -159.511 73.2669 65.9678 -54.3858 11.7084 57.9928 PRESSAVG: 622400 -15.9264 -11.3295 30.7707 -11.3295 34.1504 38.877 30.7707 38.877 -25.3401 GPRESSAVG: 622400 -16.5093 -15.4321 31.0048 -9.72169 33.8604 39.6879 29.4893 39.1693 -24.7997 TIMING: 622400 CPU: 1807.9, 0.00289908/step Wall: 1807.9, 0.00289908/step, 3.52529 hours remaining, 204.199219 MB of memory in use. ENERGY: 622400 737.8548 2123.4207 1982.0101 125.3696 -206183.1040 17765.5436 0.0000 0.0000 34219.0941 -149229.8111 298.8439 -183448.9052 -149137.3433 299.2949 -62.9181 -26.8550 557943.4266 -2.3720 -2.4829 PRESSURE: 622600 94.28 72.7347 17.7803 72.7348 62.0844 -53.0483 17.7793 -53.049 -140.395 GPRESSURE: 622600 42.1663 74.7399 102.126 103.417 149.754 5.61905 74.7119 -181.304 -94.8947 PRESSAVG: 622600 21.1838 -22.5459 1.57745 -22.5458 18.5909 0.0104968 1.57745 0.0105397 25.9425 GPRESSAVG: 622600 22.3565 -21.3704 -0.281895 -23.2231 17.8142 -0.0138141 3.31793 0.581194 25.6858 TIMING: 622600 CPU: 1808.48, 0.00289812/step Wall: 1808.48, 0.00289812/step, 3.52396 hours remaining, 204.199219 MB of memory in use. ENERGY: 622600 759.7557 2062.9312 1988.1894 107.9418 -206271.5406 17967.1406 0.0000 0.0000 34091.9980 -149293.5840 297.7339 -183385.5820 -149198.9313 299.4313 5.3231 32.3417 558837.0358 21.9057 21.9522 PRESSURE: 622800 -97.874 -37.2111 -115.842 -37.2124 -87.6201 -41.0658 -115.842 -41.0646 -80.0137 GPRESSURE: 622800 -20.5894 -22.2229 -147.636 -76.1037 -100.389 46.8971 -127.15 -79.7962 -54.3662 PRESSAVG: 622800 -31.7502 20.2081 23.9216 20.2081 21.1728 14.3491 23.9217 14.3491 68.5089 GPRESSAVG: 622800 -33.5328 20.1426 25.278 20.1744 21.8728 12.1456 22.2827 14.9377 69.4259 TIMING: 622800 CPU: 1809.06, 0.00289088/step Wall: 1809.06, 0.00289088/step, 3.51499 hours remaining, 204.199219 MB of memory in use. ENERGY: 622800 744.4020 2106.7097 1994.5238 110.5336 -205999.9229 17578.5426 0.0000 0.0000 34019.3533 -149445.8579 297.0995 -183465.2112 -149348.1888 298.4474 -88.5026 -58.4482 556324.9599 19.3105 19.2553 PRESSURE: 623000 41.1905 -75.6833 1.62099 -75.6847 36.1377 -61.8274 1.62195 -61.827 121.928 GPRESSURE: 623000 89.5602 -98.8141 -63.9982 -122.463 72.5944 -118.455 73.1902 17.818 122.035 PRESSAVG: 623000 11.1225 -5.2507 7.53427 -5.25071 -39.755 -33.5003 7.53423 -33.5003 16.0959 GPRESSAVG: 623000 11.2242 -4.1417 7.03286 -5.24274 -40.4493 -32.5144 7.11031 -32.247 16.4604 TIMING: 623000 CPU: 1809.64, 0.00290381/step Wall: 1809.64, 0.00290381/step, 3.53055 hours remaining, 204.429688 MB of memory in use. ENERGY: 623000 781.6146 2053.2179 1991.1372 109.3236 -206706.3287 17989.4048 0.0000 0.0000 34246.8966 -149534.7341 299.0867 -183781.6307 -149431.8945 298.8136 66.4188 94.7298 555771.9295 -4.1788 -4.2549 PRESSURE: 623200 13.625 -59.705 -134.747 -59.7037 59.4284 -14.821 -134.747 -14.8214 49.6427 GPRESSURE: 623200 42.2232 -46.513 -80.7117 -44.0259 117.101 -51.3171 -173.926 19.8016 71.7615 PRESSAVG: 623200 29.1701 -36.7515 27.218 -36.7515 6.80859 11.4913 27.218 11.4913 -9.16613 GPRESSAVG: 623200 30.4851 -34.5923 26.9918 -37.511 7.65307 10.6614 27.2882 10.2163 -10.919 TIMING: 623200 CPU: 1810.22, 0.00289437/step Wall: 1810.22, 0.00289437/step, 3.51891 hours remaining, 204.429688 MB of memory in use. ENERGY: 623200 758.7243 2091.0556 1958.6663 130.6550 -206597.1527 18060.0031 0.0000 0.0000 34018.7363 -149579.3120 297.0941 -183598.0483 -149488.1490 298.2720 40.8987 77.0286 557594.8213 8.9375 9.0731 PRESSURE: 623400 -107.743 21.2202 -76.9771 21.2198 152.007 83.6612 -76.9779 83.6627 263.33 GPRESSURE: 623400 -68.309 -45.3246 -48.8966 15.1938 187.246 181.341 -86.3374 132.776 294.104 PRESSAVG: 623400 40.4986 -37.5096 -0.154222 -37.5096 -22.4911 68.4577 -0.154242 68.4578 5.20589 GPRESSAVG: 623400 39.8558 -39.1565 0.530567 -38.6752 -22.9187 68.369 0.455627 69.4226 6.70299 TIMING: 623400 CPU: 1810.8, 0.00290751/step Wall: 1810.8, 0.00290751/step, 3.53473 hours remaining, 204.429688 MB of memory in use. ENERGY: 623400 757.9991 2096.0973 1979.4089 102.2027 -206751.1568 18033.6737 0.0000 0.0000 34154.7751 -149627.0001 298.2821 -183781.7751 -149540.1974 297.7614 102.5312 137.6801 557999.4884 7.7378 7.8800 PRESSURE: 623600 -189.62 160.529 108.082 160.53 -20.4555 68.4914 108.082 68.4911 -34.508 GPRESSURE: 623600 -150.229 61.5033 36.9706 174.181 12.011 20.554 164.715 126.825 1.53985 PRESSAVG: 623600 44.8552 -23.2683 24.3826 -23.2683 -54.3439 -72.5021 24.3827 -72.5021 -7.6454 GPRESSAVG: 623600 45.1393 -25.2433 21.7534 -20.4551 -55.5743 -70.5562 26.0547 -72.4942 -7.13271 TIMING: 623600 CPU: 1811.39, 0.0029235/step Wall: 1811.39, 0.0029235/step, 3.554 hours remaining, 204.429688 MB of memory in use. ENERGY: 623600 760.3316 2051.4359 1995.8911 116.6643 -206409.4871 17764.6347 0.0000 0.0000 34136.2435 -149584.2859 298.1203 -183720.5294 -149490.8791 298.2112 -81.5278 -45.5595 557189.6852 -5.7114 -5.8559 PRESSURE: 623800 -151.821 57.9032 -6.30556 57.9031 -149.561 -49.6498 -6.30624 -49.651 -99.9152 GPRESSURE: 623800 -100.217 84.2615 -70.8949 7.8033 -117.822 78.4882 104.624 -108.146 -87.9811 PRESSAVG: 623800 7.67821 21.5548 36.957 21.5547 17.3001 6.69606 36.957 6.69594 -32.6927 GPRESSAVG: 623800 8.00416 25.4033 36.8587 20.8218 18.7622 5.8836 36.1611 4.91229 -34.465 TIMING: 623800 CPU: 1811.96, 0.00289295/step Wall: 1811.96, 0.00289295/step, 3.5167 hours remaining, 204.429688 MB of memory in use. ENERGY: 623800 776.9390 2112.6382 1993.4568 127.7084 -206609.9664 17836.4579 0.0000 0.0000 34352.5531 -149410.2130 300.0094 -183762.7661 -149318.5959 298.0672 -133.7658 -102.0068 558747.9622 -2.5715 -2.5662 PRESSURE: 624000 -23.3171 -137.947 -71.1619 -137.948 283.242 -35.9123 -71.162 -35.9132 -16.8248 GPRESSURE: 624000 30.6986 -136.962 -166.184 -167.917 342.017 42.6348 -30.2922 -123.919 -14.2922 PRESSAVG: 624000 18.9557 5.72516 11.5636 5.72516 43.2335 -7.92158 11.5636 -7.92159 -18.8773 GPRESSAVG: 624000 18.4261 4.80833 13.667 6.32849 42.7147 -9.13486 10.5482 -8.01603 -17.446 TIMING: 624000 CPU: 1812.55, 0.00290403/step Wall: 1812.55, 0.00290403/step, 3.53 hours remaining, 204.429688 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: 624000 719.8335 2067.1982 1972.2735 115.0498 -206569.0323 17988.2649 0.0000 0.0000 34179.3615 -149527.0510 298.4969 -183706.4125 -149428.3588 298.2406 81.0333 119.4745 556772.5527 14.4373 14.5650 PRESSURE: 624200 49.379 53.7081 -204.904 53.7068 -118.763 153.538 -204.903 153.539 -23.8002 GPRESSURE: 624200 145.532 35.6714 -183.181 88.0899 -93.517 132.136 -170.721 166.567 -31.2665 PRESSAVG: 624200 47.1446 -21.2014 50.4885 -21.2014 14.8087 5.70794 50.4884 5.70785 -64.814 GPRESSAVG: 624200 47.5711 -21.0856 51.144 -21.6087 15.0436 6.86039 51.1568 7.56764 -65.7644 TIMING: 624200 CPU: 1813.13, 0.00291291/step Wall: 1813.13, 0.00291291/step, 3.54064 hours remaining, 204.429688 MB of memory in use. ENERGY: 624200 790.8555 2066.5794 1977.8194 115.1321 -206549.0772 17724.1624 0.0000 0.0000 34099.5699 -149774.9585 297.8000 -183874.5283 -149678.1521 297.7067 -31.0613 6.9163 555496.0663 -0.9536 -1.0499 LDB: ============= START OF LOAD BALANCING ============== 1816.6 LDB: ============== END OF LOAD BALANCING =============== 1816.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.6 LDB: ============= START OF LOAD BALANCING ============== 1816.89 LDB: Largest compute 4826 load 0.028737 is 24.4% of average load 0.117622 LDB: Average compute 0.001733 is 1.5% of average load 0.117622 LDB: TIME 1816.89 LOAD: AVG 0.117622 MAX 0.177109 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.18 MB LDB: TIME 1816.9 LOAD: AVG 0.117622 MAX 0.177109 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.25 MB LDB: TIME 1816.9 LOAD: AVG 0.117622 MAX 0.177109 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1816.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.9 PRESSURE: 624400 403.846 3.27581 29.7711 3.2776 98.5224 -9.56752 29.7717 -9.56572 64.2826 GPRESSURE: 624400 370.725 111.34 35.9153 -30.3913 90.8264 28.3844 78.1874 47.0016 188.521 PRESSAVG: 624400 88.9694 25.3691 4.77964 25.3691 -31.4577 -7.39838 4.7796 -7.39843 -47.6079 GPRESSAVG: 624400 89.1048 24.5917 3.1416 27.153 -32.3645 -6.02753 5.53914 -8.5024 -47.7888 TIMING: 624400 CPU: 1813.73, 0.00298971/step Wall: 1813.73, 0.00298971/step, 3.63383 hours remaining, 204.527344 MB of memory in use. ENERGY: 624400 751.5095 2177.8733 1965.8327 118.4320 -206756.9106 18082.4383 0.0000 0.0000 34059.1807 -149601.6441 297.4473 -183660.8248 -149504.6661 297.8962 188.8836 216.6907 556013.3823 3.3013 2.9838 PRESSURE: 624600 134.891 -2.34835 110.441 -2.34858 279.425 39.4703 110.441 39.4693 -182.819 GPRESSURE: 624600 142.025 13.839 221.098 23.9312 424.436 -17.225 50.3054 37.6242 -228.964 PRESSAVG: 624600 47.6567 93.1785 37.9018 93.1785 -27.5352 3.7772 37.9018 3.77711 -38.4832 GPRESSAVG: 624600 46.4089 93.9561 40.7141 91.6325 -25.8323 1.5865 35.8716 3.26685 -38.6909 TIMING: 624600 CPU: 1814.31, 0.00291755/step Wall: 1814.31, 0.00291755/step, 3.54595 hours remaining, 204.527344 MB of memory in use. ENERGY: 624600 746.0708 2085.8351 1952.3787 103.9416 -206929.5513 18222.9079 0.0000 0.0000 34110.4292 -149707.9880 297.8949 -183818.4172 -149619.2599 297.8123 77.1654 112.4989 556968.3451 -6.1205 -6.0381 PRESSURE: 624800 163.271 -51.6215 -13.0146 -51.6226 157.904 33.0263 -13.0156 33.0267 -112.941 GPRESSURE: 624800 237.67 -103.947 -42.3286 -15.0087 142.577 178.002 58.9583 -46.8657 -69.3109 PRESSAVG: 624800 6.81428 15.9502 18.41 15.9503 91.2618 42.412 18.41 42.4121 -76.9027 GPRESSAVG: 624800 6.05254 16.7493 17.4209 14.5901 92.3697 44.3491 19.4258 41.3962 -76.8055 TIMING: 624800 CPU: 1814.89, 0.00291582/step Wall: 1814.89, 0.00291582/step, 3.5437 hours remaining, 204.527344 MB of memory in use. ENERGY: 624800 738.4393 2096.0014 1962.2724 112.4726 -206579.8854 17865.9615 0.0000 0.0000 34256.1950 -149548.5431 299.1679 -183804.7381 -149458.6965 297.6190 69.4115 103.6452 555818.3003 7.0578 7.2056 PRESSURE: 625000 -120.89 -16.615 -2.55541 -16.6159 -254.954 198.528 -2.55574 198.529 -107.129 GPRESSURE: 625000 -78.3782 45.8262 12.9563 -126.646 -257.303 188.967 -32.3191 230.935 -56.7173 PRESSAVG: 625000 52.0519 59.7526 -1.9673 59.7525 -20.0742 58.1389 -1.96741 58.1389 -21.0532 GPRESSAVG: 625000 52.722 58.2244 -1.5694 59.6095 -21.3124 56.3629 -2.19301 58.9066 -20.6819 TIMING: 625000 CPU: 1815.47, 0.00290158/step Wall: 1815.47, 0.00290158/step, 3.52622 hours remaining, 204.527344 MB of memory in use. ENERGY: 625000 753.3315 1998.0653 1980.6397 127.6107 -206238.0053 17707.5316 0.0000 0.0000 34298.5486 -149372.2779 299.5378 -183670.8265 -149271.0361 298.9317 -160.9913 -130.7995 558186.2088 3.6415 3.5759 PRESSURE: 625200 22.2836 -59.0156 7.55763 -59.0154 -143.081 -99.7882 7.55847 -99.7874 93.9116 GPRESSURE: 625200 58.1285 -88.7969 49.6162 -13.279 -123.149 -38.2156 -72.0924 -65.8307 131.173 PRESSAVG: 625200 -27.636 -6.99468 1.13507 -6.99474 -18.4371 20.1692 1.13508 20.1691 70.9106 GPRESSAVG: 625200 -27.0053 -8.16151 1.84886 -4.53281 -18.709 20.2203 0.743453 21.8111 70.7405 TIMING: 625200 CPU: 1816.05, 0.00290101/step Wall: 1816.05, 0.00290101/step, 3.52537 hours remaining, 204.527344 MB of memory in use. ENERGY: 625200 716.9077 2072.9231 1984.8104 115.6765 -206673.5978 18076.7469 0.0000 0.0000 34149.0642 -149557.4690 298.2323 -183706.5332 -149465.8809 298.8450 -8.9620 22.0510 557443.4085 8.2791 8.3421 PRESSURE: 625400 -54.3498 162.991 71.3956 162.99 -3.55831 -86.9451 71.3953 -86.9455 96.3465 GPRESSURE: 625400 -24.399 246.016 98.7195 62.8906 73.0471 -49.36 -16.4551 -61.4498 91.6719 PRESSAVG: 625400 39.6491 71.7377 -5.30186 71.7377 -34.9624 17.3675 -5.30185 17.3674 1.83243 GPRESSAVG: 625400 39.601 72.7005 -5.47447 70.5089 -35.6 17.5468 -3.51444 15.9589 2.36454 TIMING: 625400 CPU: 1816.64, 0.00292601/step Wall: 1816.64, 0.00292601/step, 3.55559 hours remaining, 204.527344 MB of memory in use. ENERGY: 625400 760.2179 2121.0237 1971.4925 117.3261 -206418.4073 17719.4590 0.0000 0.0000 34164.1089 -149564.7791 298.3637 -183728.8881 -149475.1100 298.2486 12.8128 46.7734 555379.8973 2.1730 2.1218 PRESSURE: 625600 -150.594 107.069 -177.132 107.068 -84.9738 -81.3662 -177.132 -81.368 107.858 GPRESSURE: 625600 -56.1 98.4723 -140.527 151.249 -112.858 -25.8152 -179.316 -74.2853 146.25 PRESSAVG: 625600 -25.8117 61.079 25.0488 61.0789 22.3219 -66.1065 25.0489 -66.1065 56.6372 GPRESSAVG: 625600 -26.3583 63.4486 22.9824 58.7384 22.1888 -65.0694 24.8391 -66.6642 57.1093 TIMING: 625600 CPU: 1817.22, 0.00290282/step Wall: 1817.22, 0.00290282/step, 3.52725 hours remaining, 204.527344 MB of memory in use. ENERGY: 625600 725.9467 2044.6443 2005.7215 100.1166 -206206.1862 17771.1072 0.0000 0.0000 34093.1013 -149465.5488 297.7435 -183558.6500 -149374.2066 298.6448 -42.5698 -7.5693 556849.2722 17.7158 17.6466 PRESSURE: 625800 52.4872 -154.082 112.378 -154.08 -270.331 -229.783 112.378 -229.782 228.334 GPRESSURE: 625800 99.234 -56.301 84.1306 -186.2 -177.53 -222.481 62.8467 -256.096 198.079 PRESSAVG: 625800 7.51213 39.1413 -19.0583 39.1413 -25.5554 -52.0177 -19.0583 -52.0177 9.40148 GPRESSAVG: 625800 8.4647 37.157 -19.2718 41.6912 -25.2479 -53.1821 -19.1856 -50.0394 8.56291 TIMING: 625800 CPU: 1817.8, 0.00292078/step Wall: 1817.8, 0.00292078/step, 3.54891 hours remaining, 204.527344 MB of memory in use. ENERGY: 625800 754.2121 2086.4814 1970.9162 130.5989 -206342.7652 17851.3014 0.0000 0.0000 34189.3490 -149359.9063 298.5841 -183549.2553 -149261.3147 298.6043 3.4965 39.9279 556595.6844 -2.8806 -2.7401 PRESSURE: 626000 32.6302 119.447 -45.8055 119.447 70.0732 -1.34758 -45.8059 -1.3492 44.7068 GPRESSURE: 626000 73.8954 99.2842 -52.9322 138.836 124.116 -34.9154 -73.0279 77.1988 42.6328 PRESSAVG: 626000 -46.916 -19.4294 24.3052 -19.4295 14.7185 -31.4196 24.3053 -31.4197 26.1002 GPRESSAVG: 626000 -47.0506 -20.7322 25.172 -19.3186 14.9569 -30.6502 23.6774 -30.8081 25.4032 TIMING: 626000 CPU: 1818.39, 0.0029209/step Wall: 1818.39, 0.0029209/step, 3.5489 hours remaining, 204.527344 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: 626000 730.3648 2101.7268 1977.5447 121.6715 -206631.2968 17942.3123 0.0000 0.0000 34358.1842 -149399.4925 300.0586 -183757.6766 -149306.0655 299.1797 49.1367 80.2147 556581.3462 -2.0324 -2.2302 PRESSURE: 626200 -379.318 141.885 20.8283 141.885 127.406 78.8125 20.8278 78.813 -265.155 GPRESSURE: 626200 -324.927 136.008 23.603 142.881 150.434 95.9427 -1.41487 -31.8086 -262.92 PRESSAVG: 626200 -22.9303 53.4208 -15.7058 53.4209 68.2686 12.664 -15.7058 12.6639 -49.883 GPRESSAVG: 626200 -23.1732 55.0065 -15.0768 52.1987 68.1993 13.3463 -15.3159 9.19724 -49.9156 TIMING: 626200 CPU: 1818.97, 0.00289896/step Wall: 1818.97, 0.00289896/step, 3.52208 hours remaining, 204.527344 MB of memory in use. ENERGY: 626200 745.9913 2093.6673 1984.4846 109.1415 -205978.7332 17569.9929 0.0000 0.0000 34092.1736 -149383.2821 297.7354 -183475.4557 -149294.1970 298.6033 -172.3558 -145.8046 557634.3569 -1.5149 -1.6298 PRESSURE: 626400 -199.584 127.648 -123.323 127.648 -289.405 126.374 -123.322 126.375 17.6349 GPRESSURE: 626400 -155.997 114.884 -181.051 71.5836 -280.393 70.3853 -65.0146 144.647 60.3408 PRESSAVG: 626400 -39.9593 37.2699 -39.9509 37.2698 15.3767 9.23781 -39.9509 9.23766 2.58017 GPRESSAVG: 626400 -39.2645 36.922 -40.253 37.2353 14.7507 7.22995 -40.5568 10.5506 2.38468 TIMING: 626400 CPU: 1819.55, 0.00291423/step Wall: 1819.55, 0.00291423/step, 3.54047 hours remaining, 204.726562 MB of memory in use. ENERGY: 626400 777.3810 2156.1647 1988.1528 115.6070 -206458.1835 17706.1648 0.0000 0.0000 34132.6753 -149582.0379 298.0891 -183714.7132 -149484.2257 298.8915 -157.1180 -125.3495 557970.4990 -7.3342 -7.3764 PRESSURE: 626600 -11.3087 -13.2416 -32.9924 -13.2409 93.6767 -3.37563 -32.9912 -3.37518 130.197 GPRESSURE: 626600 44.4021 -115.375 -152.974 -9.09283 161.159 24.0468 24.1397 -31.1739 96.7513 PRESSAVG: 626600 -21.6356 15.7522 -16.5508 15.7521 -5.30698 -17.9878 -16.5508 -17.9877 52.4001 GPRESSAVG: 626600 -22.0718 15.0121 -18.2775 17.2283 -4.73318 -17.5118 -17.1448 -18.8348 52.7916 TIMING: 626600 CPU: 1820.13, 0.00290914/step Wall: 1820.13, 0.00290914/step, 3.53412 hours remaining, 204.726562 MB of memory in use. ENERGY: 626600 754.3972 2093.1789 1988.7964 106.1992 -206628.1049 17899.0244 0.0000 0.0000 34057.1859 -149729.3229 297.4299 -183786.5088 -149633.5080 298.1154 70.8549 100.7707 555911.4918 8.4859 8.6622 PRESSURE: 626800 -168.907 38.0367 -72.6372 38.0365 52.1232 -54.9777 -72.6368 -54.9776 -141.08 GPRESSURE: 626800 -115.687 68.1906 -37.0932 -16.1161 128.034 -28.9617 -106.099 -90.6955 -184.474 PRESSAVG: 626800 -94.1441 17.912 36.0458 17.9121 20.2873 -36.9331 36.0458 -36.9331 71.2861 GPRESSAVG: 626800 -95.7134 18.3072 36.9837 17.3091 21.4959 -37.4508 35.9055 -35.1499 71.5693 TIMING: 626800 CPU: 1820.71, 0.002904/step Wall: 1820.71, 0.002904/step, 3.52772 hours remaining, 204.726562 MB of memory in use. ENERGY: 626800 738.3761 2063.0729 2005.3557 101.8522 -206326.0634 17652.0532 0.0000 0.0000 34001.1278 -149764.2255 296.9403 -183765.3533 -149668.4851 297.4606 -85.9546 -57.3755 556230.1620 -0.8569 -0.8828 PRESSURE: 627000 -107.409 5.4208 71.6799 5.42173 124.268 -136.665 71.6798 -136.663 67.7333 GPRESSURE: 627000 -57.9871 19.4325 112.822 -23.7693 164.743 -110.764 88.4985 -80.7403 67.8982 PRESSAVG: 627000 -14.0746 17.751 10.1089 17.7509 33.006 0.764158 10.1089 0.764188 -63.496 GPRESSAVG: 627000 -14.2661 17.9358 9.98595 17.1885 32.9938 -0.0401043 11.0884 1.15068 -62.9565 TIMING: 627000 CPU: 1821.3, 0.00294236/step Wall: 1821.3, 0.00294236/step, 3.57415 hours remaining, 204.726562 MB of memory in use. ENERGY: 627000 744.0071 2111.3241 2002.1773 113.3664 -206636.2508 17870.0091 0.0000 0.0000 33896.7604 -149898.6064 296.0288 -183795.3669 -149802.2137 297.2493 28.1975 58.2179 555466.6592 -14.8549 -14.7429 PRESSURE: 627200 -315.377 25.0923 19.0811 25.0916 -113.341 195.702 19.0803 195.7 -184.085 GPRESSURE: 627200 -266.793 66.6727 38.7963 16.8269 -95.5932 179.194 32.8063 170.997 -151.225 PRESSAVG: 627200 52.3791 17.5944 38.266 17.5945 -8.82191 -1.85181 38.266 -1.85182 -61.6298 GPRESSAVG: 627200 53.3589 16.5959 39.5584 18.5074 -9.39891 -2.6054 36.2511 -3.33904 -62.0927 TIMING: 627200 CPU: 1821.88, 0.00290086/step Wall: 1821.88, 0.00290086/step, 3.52357 hours remaining, 204.726562 MB of memory in use. ENERGY: 627200 731.4479 2075.5071 1962.6135 119.3096 -206416.0936 17573.3363 0.0000 0.0000 34134.3937 -149819.4856 298.1041 -183953.8793 -149725.6673 297.6424 -204.2677 -171.2038 556486.4381 -6.0242 -6.0442 PRESSURE: 627400 190.333 68.8638 -162.775 68.8646 -144.217 9.58729 -162.775 9.58657 -89.7041 GPRESSURE: 627400 193.237 135.578 -115.325 -64.5588 -92.9548 -2.18029 -161.986 8.98865 -42.1646 PRESSAVG: 627400 -35.5296 42.3689 2.59792 42.3689 -22.6807 -38.6963 2.59792 -38.6964 45.9769 GPRESSAVG: 627400 -34.6874 44.0325 1.20881 41.6843 -22.1303 -36.3415 4.83507 -38.9577 45.0577 TIMING: 627400 CPU: 1822.46, 0.00290344/step Wall: 1822.46, 0.00290344/step, 3.52655 hours remaining, 204.726562 MB of memory in use. ENERGY: 627400 728.7240 2130.1586 1982.7599 121.8606 -206720.3732 17847.7262 0.0000 0.0000 34081.8179 -149827.3259 297.6450 -183909.1438 -149733.7005 297.5892 -14.5294 19.3726 557136.4517 -4.0778 -3.9200 PRESSURE: 627600 254.466 350.992 38.849 350.991 265.024 58.5525 38.8492 58.5531 269.7 GPRESSURE: 627600 283.945 411.038 43.848 410.819 319.671 37.6847 -13.1873 11.4347 278.532 PRESSAVG: 627600 -4.53502 95.8595 8.82531 95.8595 -28.91 -26.5696 8.8254 -26.5696 31.7478 GPRESSAVG: 627600 -5.05126 97.013 9.26157 95.5141 -29.0018 -25.2375 6.64252 -25.8898 32.6674 TIMING: 627600 CPU: 1823.04, 0.00290263/step Wall: 1823.04, 0.00290263/step, 3.5254 hours remaining, 204.726562 MB of memory in use. ENERGY: 627600 716.0547 2075.7439 1972.5417 131.2617 -207138.6007 18232.6334 0.0000 0.0000 34078.9030 -149931.4623 297.6195 -184010.3653 -149841.5839 297.2669 263.0631 294.0492 556336.3250 -0.5657 -0.4619 PRESSURE: 627800 -141.594 -83.5918 15.0673 -83.5918 -58.8266 -28.5785 15.066 -28.5784 -94.2648 GPRESSURE: 627800 -154.857 -26.1518 76.1012 -98.9435 -29.5264 64.5227 10.9224 -79.3337 -8.18655 PRESSAVG: 627800 28.9617 22.8101 -2.73572 22.8101 -44.6171 -29.0982 -2.73564 -29.0982 2.14876 GPRESSAVG: 627800 28.788 19.6467 -2.80697 24.7278 -44.9379 -30.16 -1.43286 -29.6937 2.03462 TIMING: 627800 CPU: 1823.62, 0.00290379/step Wall: 1823.62, 0.00290379/step, 3.52665 hours remaining, 204.726562 MB of memory in use. ENERGY: 627800 769.8142 2146.1881 1970.3421 110.8744 -206636.2607 17703.7841 0.0000 0.0000 33979.5291 -149955.7286 296.7517 -183935.2577 -149862.8765 297.1035 -98.2284 -64.1901 556842.1573 -4.5022 -4.7051 PRESSURE: 628000 -164.03 76.246 -144.12 76.2467 -160.275 -84.1017 -144.12 -84.1018 216.221 GPRESSURE: 628000 -98.6132 27.4174 -134.429 103.355 -126.036 -58.7534 -89.3511 -47.7773 214.806 PRESSAVG: 628000 -8.04728 -41.4246 -19.898 -41.4246 17.5805 -36.8069 -19.898 -36.8068 -14.2057 GPRESSAVG: 628000 -7.37172 -41.1499 -18.8173 -41.146 17.5708 -37.7334 -18.9652 -35.0881 -14.3539 TIMING: 628000 CPU: 1824.2, 0.00289814/step Wall: 1824.2, 0.00289814/step, 3.51963 hours remaining, 204.726562 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: 628000 728.7681 2132.0686 2002.9094 122.4268 -207027.1966 18070.6648 0.0000 0.0000 34046.2091 -149924.1496 297.3340 -183970.3588 -149831.9005 296.9246 -36.0280 -3.2809 556128.3476 -1.5575 -1.3849 PRESSURE: 628200 -69.031 -43.0397 87.9896 -43.0395 -10.28 37.8053 87.9908 37.8045 -93.585 GPRESSURE: 628200 -92.8694 1.74151 141.499 -23.1481 31.0118 10.5068 98.329 -30.9185 -24.5354 PRESSAVG: 628200 -13.3011 4.15817 49.1547 4.15824 -13.4777 -22.7227 49.1547 -22.7227 46.7545 GPRESSAVG: 628200 -15.1328 6.87959 47.2428 3.47983 -12.8495 -23.3338 49.0298 -23.249 47.7986 TIMING: 628200 CPU: 1824.78, 0.00290737/step Wall: 1824.78, 0.00290737/step, 3.53067 hours remaining, 204.726562 MB of memory in use. ENERGY: 628200 773.8273 2095.2758 2025.5083 124.5036 -206637.2677 17861.7432 0.0000 0.0000 34121.9102 -149634.4993 297.9951 -183756.4095 -149531.0545 298.0419 -57.6320 -28.7977 556495.5561 6.6586 6.6054 LDB: ============= START OF LOAD BALANCING ============== 1828.25 LDB: ============== END OF LOAD BALANCING =============== 1828.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1828.25 LDB: ============= START OF LOAD BALANCING ============== 1828.55 LDB: Largest compute 4855 load 0.029759 is 25.3% of average load 0.117501 LDB: Average compute 0.001740 is 1.5% of average load 0.117501 LDB: TIME 1828.55 LOAD: AVG 0.117501 MAX 0.178888 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.055 MB LDB: TIME 1828.55 LOAD: AVG 0.117501 MAX 0.178888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.285 MB LDB: TIME 1828.55 LOAD: AVG 0.117501 MAX 0.178888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.285 MB LDB: ============== END OF LOAD BALANCING =============== 1828.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1828.56 PRESSURE: 628400 -225.456 -257.836 -236.866 -257.837 320.71 -49.9779 -236.866 -49.9767 75.196 GPRESSURE: 628400 -191.182 -278.592 -205.535 -272.93 349.141 -9.40354 -219.036 71.2166 104.806 PRESSAVG: 628400 -11.921 -7.06723 9.6424 -7.06729 -16.3006 0.709478 9.64245 0.709451 -17.504 GPRESSAVG: 628400 -12.3857 -9.82056 11.292 -7.08398 -16.003 -0.164125 9.12768 -0.734226 -17.3526 TIMING: 628400 CPU: 1825.38, 0.00298003/step Wall: 1825.38, 0.00298003/step, 3.61875 hours remaining, 203.816406 MB of memory in use. ENERGY: 628400 758.2981 2083.7904 1962.7193 112.7441 -206471.3186 17816.8456 0.0000 0.0000 34297.9421 -149438.9789 299.5325 -183736.9210 -149330.5173 298.5703 56.8166 87.5884 556369.0552 -15.2419 -15.2471 PRESSURE: 628600 -72.4105 -2.26211 3.23047 -2.2618 163.863 -18.9074 3.23012 -18.9077 314.679 GPRESSURE: 628600 -50.8563 -23.4138 -143.757 -3.41701 207.426 22.2259 68.4423 -40.4536 336.8 PRESSAVG: 628600 -21.1054 -29.1049 -3.59088 -29.1049 -30.2269 30.5517 -3.59098 30.5517 84.4214 GPRESSAVG: 628600 -19.5399 -28.3265 -4.07213 -29.4305 -31.1686 31.157 -2.43909 30.8746 83.6528 TIMING: 628600 CPU: 1825.96, 0.00287847/step Wall: 1825.96, 0.00287847/step, 3.49526 hours remaining, 204.054688 MB of memory in use. ENERGY: 628600 721.8100 2081.7944 2014.9320 129.1619 -206500.1929 17955.0611 0.0000 0.0000 34256.9261 -149340.5073 299.1743 -183597.4334 -149247.2977 298.6280 135.3772 164.4565 556405.0186 11.0297 10.9815 PRESSURE: 628800 -72.64 6.20526 43.7389 6.20554 -19.9651 48.8683 43.7386 48.8691 113.394 GPRESSURE: 628800 -28.4723 55.3721 79.9543 -37.3311 13.9041 0.769595 -7.50584 -15.2991 141.542 PRESSAVG: 628800 -10.3627 -15.2787 -14.9668 -15.2787 8.49372 29.2126 -14.9667 29.2126 11.2864 GPRESSAVG: 628800 -11.2489 -16.4803 -14.1445 -14.9709 9.70943 30.3461 -16.3249 28.3211 10.9685 TIMING: 628800 CPU: 1826.54, 0.00291383/step Wall: 1826.54, 0.00291383/step, 3.53804 hours remaining, 204.054688 MB of memory in use. ENERGY: 628800 767.0825 2092.6869 1974.8488 117.5634 -206331.1879 17965.3695 0.0000 0.0000 34011.1560 -149402.4807 297.0279 -183413.6367 -149306.4723 298.6336 6.9296 42.3245 558299.4709 3.1391 3.1430 PRESSURE: 629000 -88.4772 2.73337 20.0165 2.73338 -86.9259 150.135 20.0161 150.134 -192.642 GPRESSURE: 629000 -6.30321 -39.0885 -16.1013 -46.9634 -105.342 168.459 30.4791 138.684 -144.137 PRESSAVG: 629000 6.91957 0.51254 0.357615 0.51265 -7.47096 24.7913 0.357573 24.7913 23.8042 GPRESSAVG: 629000 6.53569 0.374472 -0.0237289 0.7126 -9.16736 23.3711 -0.4993 26.3477 26.2494 TIMING: 629000 CPU: 1827.12, 0.00292233/step Wall: 1827.12, 0.00292233/step, 3.5482 hours remaining, 204.054688 MB of memory in use. ENERGY: 629000 807.3723 2081.9048 2004.5939 116.9289 -206241.1779 17698.4334 0.0000 0.0000 34103.1244 -149428.8201 297.8311 -183531.9446 -149333.3745 299.1901 -122.6819 -85.2606 557158.8434 7.7509 7.8726 PRESSURE: 629200 -75.3996 65.8691 20.8182 65.8693 -397.036 -15.6665 20.8175 -15.6665 21.0154 GPRESSURE: 629200 -16.596 10.1547 5.76327 28.6718 -395.395 -55.2313 17.7806 41.3982 56.9065 PRESSAVG: 629200 21.9934 2.69115 61.5829 2.69121 -74.71 18.6967 61.5829 18.6967 30.0027 GPRESSAVG: 629200 22.548 3.61347 61.585 1.67367 -73.9341 20.2512 62.3632 17.8465 28.2659 TIMING: 629200 CPU: 1827.7, 0.00289608/step Wall: 1827.7, 0.00289608/step, 3.51617 hours remaining, 204.054688 MB of memory in use. ENERGY: 629200 707.7407 2081.9955 1991.3255 125.7763 -205969.1860 17405.3084 0.0000 0.0000 34261.0590 -149395.9805 299.2103 -183657.0395 -149296.7127 298.8648 -150.4734 -118.3613 555830.6768 -7.5713 -7.7067 PRESSURE: 629400 -78.6167 7.07866 24.4841 7.07884 -110.603 -26.8245 24.4842 -26.8249 142.361 GPRESSURE: 629400 26.6027 -6.99258 -16.6379 57.5321 -84.7529 2.64763 -17.467 -55.4891 111.336 PRESSAVG: 629400 6.6467 -16.7503 9.03888 -16.7503 -54.6587 13.7775 9.03888 13.7775 53.6231 GPRESSAVG: 629400 7.95714 -16.8434 8.29082 -15.2534 -55.0817 12.6257 9.35867 15.309 52.5542 TIMING: 629400 CPU: 1828.28, 0.00289087/step Wall: 1828.28, 0.00289087/step, 3.50967 hours remaining, 204.054688 MB of memory in use. ENERGY: 629400 774.1593 2044.1110 1976.8433 113.1939 -206343.2155 17927.3382 0.0000 0.0000 34067.0532 -149440.5165 297.5160 -183507.5697 -149341.5708 299.4031 -15.6195 17.7286 556499.3644 1.8704 1.8099 PRESSURE: 629600 -234.229 -191.057 122.147 -191.056 -51.3085 100.826 122.147 100.826 142.672 GPRESSURE: 629600 -200.414 -231.049 119.407 -148.644 2.79911 83.8843 133.382 97.8942 157.814 PRESSAVG: 629600 5.24339 14.2995 -2.84632 14.2996 -10.6537 -38.888 -2.84623 -38.888 50.0757 GPRESSAVG: 629600 4.71998 15.386 -4.2855 13.1461 -11.2074 -38.5854 -0.275093 -38.5501 50.6791 TIMING: 629600 CPU: 1828.86, 0.00290581/step Wall: 1828.86, 0.00290581/step, 3.52765 hours remaining, 204.054688 MB of memory in use. ENERGY: 629600 749.6683 2059.1016 1996.0752 118.0193 -206392.6120 17780.3356 0.0000 0.0000 34174.8582 -149514.5538 298.4575 -183689.4120 -149413.7595 298.5311 -47.6216 -13.2669 557053.0703 14.8885 14.7306 PRESSURE: 629800 0.421404 -119.188 71.8085 -119.189 -78.153 13.8786 71.8084 13.877 -132.746 GPRESSURE: 629800 -27.0202 -107.15 -20.6993 -85.2267 -14.5342 110.581 80.9901 -70.046 -82.7272 PRESSAVG: 629800 -5.57004 -13.6557 -24.0481 -13.6557 15.987 -18.2913 -24.0481 -18.2914 17.7738 GPRESSAVG: 629800 -6.67492 -13.6467 -23.299 -13.8874 15.5096 -18.157 -27.7732 -18.626 18.97 TIMING: 629800 CPU: 1829.44, 0.00290957/step Wall: 1829.44, 0.00290957/step, 3.53206 hours remaining, 204.054688 MB of memory in use. ENERGY: 629800 723.8578 2073.8973 1942.0143 125.1545 -206307.3045 17667.9046 0.0000 0.0000 34323.1721 -149451.3040 299.7528 -183774.4761 -149350.1227 298.2610 -70.1592 -41.4272 557392.3487 9.3969 9.2682 PRESSURE: 630000 -127.206 248.729 214.444 248.728 147.632 -285.717 214.443 -285.718 27.7692 GPRESSURE: 630000 -117.337 184.722 230.804 210.805 229.412 -296.509 253.991 -234.393 21.4926 PRESSAVG: 630000 -0.633183 22.4495 44.1318 22.4494 -16.289 -21.5332 44.1319 -21.5332 -55.7878 GPRESSAVG: 630000 -0.505787 21.0361 43.7533 21.8331 -15.0969 -19.0111 47.8639 -22.9461 -57.063 TIMING: 630000 CPU: 1830.02, 0.00288862/step Wall: 1830.02, 0.00288862/step, 3.50646 hours remaining, 204.253906 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: 630000 735.2689 2109.8813 1962.8133 108.4807 -206407.1747 17964.8850 0.0000 0.0000 34088.1940 -149437.6515 297.7007 -183525.8455 -149341.1604 298.3030 16.0651 44.5225 557511.4973 -24.2367 -24.2219 PRESSURE: 630200 65.4609 -94.8373 38.5808 -94.836 159.963 139.701 38.5821 139.7 -116.892 GPRESSURE: 630200 99.1616 -32.5878 88.294 -78.6565 127.697 1.70629 59.187 197.65 -19.6933 PRESSAVG: 630200 70.0089 -5.51174 -35.1605 -5.51171 -22.2865 -37.3166 -35.1606 -37.3166 -3.8527 GPRESSAVG: 630200 69.5958 -5.30984 -33.9761 -3.68779 -23.4287 -39.589 -36.6383 -35.9735 -2.44676 TIMING: 630200 CPU: 1830.6, 0.00288267/step Wall: 1830.6, 0.00288267/step, 3.49908 hours remaining, 204.253906 MB of memory in use. ENERGY: 630200 730.9123 2088.2857 1986.0458 114.2704 -206131.6888 17745.3393 0.0000 0.0000 34095.7417 -149371.0936 297.7666 -183466.8353 -149280.3277 298.2538 36.1773 69.0551 557919.6927 14.6233 14.5734 PRESSURE: 630400 -37.9081 -12.4252 -124.624 -12.4253 136.194 61.3753 -124.624 61.3758 49.1596 GPRESSURE: 630400 -14.3492 0.2042 -65.4318 -14.4908 172.971 121.547 -86.9002 20.6104 86.863 PRESSAVG: 630400 6.06723 6.64563 -10.8876 6.64556 18.313 -21.8735 -10.8875 -21.8735 -13.6208 GPRESSAVG: 630400 5.60382 7.64837 -10.0642 4.70965 18.2668 -20.7681 -9.97343 -21.2287 -13.1329 TIMING: 630400 CPU: 1831.18, 0.00289013/step Wall: 1831.18, 0.00289013/step, 3.50797 hours remaining, 204.253906 MB of memory in use. ENERGY: 630400 727.4672 2099.0314 1971.0615 106.5725 -206229.2170 17787.8169 0.0000 0.0000 34255.8083 -149281.4593 299.1645 -183537.2675 -149181.3140 298.4400 49.1484 81.8284 557733.5147 3.5865 3.5793 PRESSURE: 630600 92.9307 167.537 11.4169 167.538 -262.977 -96.5834 11.417 -96.5828 -355.591 GPRESSURE: 630600 79.955 109.392 -59.4176 158.178 -207.241 -226.422 69.612 -62.1196 -302.555 PRESSAVG: 630600 18.9715 13.8641 -40.9286 13.8641 -46.9332 2.29384 -40.9285 2.29386 -2.38947 GPRESSAVG: 630600 19.101 12.8324 -40.2525 13.9884 -45.3427 2.03883 -42.114 0.625573 -4.15274 TIMING: 630600 CPU: 1831.75, 0.00288035/step Wall: 1831.75, 0.00288035/step, 3.49594 hours remaining, 204.253906 MB of memory in use. ENERGY: 630600 764.6925 2114.1505 1986.2039 111.2138 -205915.9230 17604.9965 0.0000 0.0000 34239.4819 -149095.1838 299.0219 -183334.6657 -148998.5861 299.1040 -175.2127 -143.2801 557852.5991 -10.1171 -10.1315 PRESSURE: 630800 158.081 -181.566 215.242 -181.566 131.499 91.8735 215.243 91.8739 -101.368 GPRESSURE: 630800 179.57 -113.368 182.598 -230.757 180.768 132.484 201.146 42.6534 -75.6981 PRESSAVG: 630800 -31.8401 35.9862 44.6644 35.9861 4.14332 -13.9818 44.6644 -13.9818 35.6501 GPRESSAVG: 630800 -32.2023 35.0408 41.4315 34.7733 3.3432 -14.5959 47.0789 -13.1402 36.299 TIMING: 630800 CPU: 1832.33, 0.00290132/step Wall: 1832.33, 0.00290132/step, 3.52124 hours remaining, 204.253906 MB of memory in use. ENERGY: 630800 725.2936 2081.9386 1950.2249 112.3775 -206024.9872 17859.9087 0.0000 0.0000 34262.0220 -149033.2219 299.2188 -183295.2439 -148940.8743 299.9118 62.7374 94.8801 556200.9468 2.6511 2.4799 PRESSURE: 631000 91.7492 -121.796 -111.46 -121.795 162.684 -47.1903 -111.46 -47.1901 81.5302 GPRESSURE: 631000 120.092 -71.7077 -160.329 -103.403 181.436 -84.4315 -167.676 23.4617 134.777 PRESSAVG: 631000 -20.6482 22.9698 -43.9956 22.9699 21.2989 25.945 -43.9956 25.945 0.565398 GPRESSAVG: 631000 -19.8454 24.0835 -41.6222 24.51 20.5313 27.8952 -47.1477 24.1279 0.451011 TIMING: 631000 CPU: 1832.91, 0.00289785/step Wall: 1832.91, 0.00289785/step, 3.51687 hours remaining, 204.253906 MB of memory in use. ENERGY: 631000 738.7600 2088.7022 1967.3330 124.5593 -206224.3062 17839.5517 0.0000 0.0000 34369.5707 -149095.8294 300.1580 -183465.4000 -148994.3114 299.3418 111.9879 145.4349 557136.3284 0.4054 0.3790 PRESSURE: 631200 -28.6983 -90.3943 75.7476 -90.3938 151.36 67.4984 75.7483 67.4968 27.4144 GPRESSURE: 631200 41.4382 -134.188 86.6153 -71.4466 237.678 60.53 74.0587 8.33637 -19.6715 PRESSAVG: 631200 -65.7542 46.046 0.987399 46.0461 58.7172 -73.3146 0.987335 -73.3147 -1.54637 GPRESSAVG: 631200 -66.2247 46.512 0.0357048 45.8325 59.1443 -73.7046 2.5683 -72.8862 -1.39288 TIMING: 631200 CPU: 1833.49, 0.00287319/step Wall: 1833.49, 0.00287319/step, 3.48678 hours remaining, 204.253906 MB of memory in use. ENERGY: 631200 735.5746 2079.9700 1966.7629 107.9246 -206641.9122 18133.9901 0.0000 0.0000 34409.3826 -149208.3074 300.5057 -183617.6900 -149109.9572 299.2500 50.0253 86.4814 557722.7349 -2.8611 -2.8244 PRESSURE: 631400 -49.3346 16.8135 -5.46624 16.8133 -114.11 -102.61 -5.46532 -102.608 45.4122 GPRESSURE: 631400 -22.0782 -64.3921 -58.6148 23.6105 -78.9974 -56.3066 93.357 -149.86 84.4432 PRESSAVG: 631400 -25.4443 -52.7612 52.3547 -52.7611 10.7226 -77.4698 52.3548 -77.4698 -1.72184 GPRESSAVG: 631400 -25.8463 -51.5816 52.8337 -54.1042 10.9616 -77.6844 53.1323 -75.242 -0.665194 TIMING: 631400 CPU: 1834.07, 0.00290064/step Wall: 1834.07, 0.00290064/step, 3.51993 hours remaining, 204.253906 MB of memory in use. ENERGY: 631400 753.8916 2126.0346 1963.0389 117.1352 -206262.4344 17814.2004 0.0000 0.0000 34273.6440 -149214.4898 299.3203 -183488.1338 -149113.8070 299.6144 -39.3442 -5.5441 558467.8864 -5.4812 -5.1833 PRESSURE: 631600 -191.286 15.5421 -158.451 15.5427 -76.2995 28.7531 -158.45 28.7525 -101.362 GPRESSURE: 631600 -128.404 -111.967 -140.415 18.7451 -106.431 -35.4265 -201.579 10.9014 -46.8746 PRESSAVG: 631600 -83.3253 -35.7694 10.8978 -35.7694 92.7835 -11.8456 10.8978 -11.8454 -37.6306 GPRESSAVG: 631600 -83.0348 -35.4429 10.6285 -35.24 93.7378 -14.7361 9.11867 -12.6049 -38.7692 TIMING: 631600 CPU: 1834.65, 0.00289611/step Wall: 1834.65, 0.00289611/step, 3.51427 hours remaining, 204.253906 MB of memory in use. ENERGY: 631600 710.6292 2142.6855 1956.8470 116.4017 -205986.2731 17674.2291 0.0000 0.0000 34201.8081 -149183.6726 298.6929 -183385.4807 -149090.2776 299.4155 -122.9824 -93.9033 559110.4623 -9.3908 -9.3554 PRESSURE: 631800 24.1767 90.7075 5.67139 90.7069 -22.4277 39.2393 5.6691 39.2386 -264.62 GPRESSURE: 631800 59.6191 123.428 56.1145 66.1857 20.7656 86.5503 -64.9269 -85.5977 -245.387 PRESSAVG: 631800 2.03657 -6.86068 -11.4673 -6.86065 4.60693 -2.14495 -11.4675 -2.14495 -45.8721 GPRESSAVG: 631800 2.53465 -6.09723 -11.2779 -6.1433 3.22911 -2.00229 -12.1456 -1.02039 -45.4599 TIMING: 631800 CPU: 1835.23, 0.00290728/step Wall: 1835.23, 0.00290728/step, 3.52766 hours remaining, 204.253906 MB of memory in use. ENERGY: 631800 749.6899 2086.2647 1960.1577 123.5264 -206459.9875 17828.2769 0.0000 0.0000 34402.8241 -149309.2478 300.4484 -183712.0719 -149210.8096 298.2181 -87.6238 -55.0006 556801.3091 -13.0762 -13.2320 PRESSURE: 632000 -58.5922 -173.888 -25.9779 -173.887 138.839 -25.9611 -25.9769 -25.9601 118.042 GPRESSURE: 632000 -31.6916 -109.638 -26.3558 -147.56 180.742 -85.055 -35.2541 -23.0341 153.256 PRESSAVG: 632000 -26.2192 -56.4662 -31.9945 -56.4662 25.505 29.2631 -31.9944 29.2631 1.82316 GPRESSAVG: 632000 -27.3412 -58.5749 -34.1546 -55.5134 26.5986 27.8878 -30.2389 28.1333 1.83299 TIMING: 632000 CPU: 1835.81, 0.00291038/step Wall: 1835.81, 0.00291038/step, 3.53127 hours remaining, 204.253906 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: 632000 709.3203 2122.7708 1981.3880 111.5594 -206608.3370 17917.6491 0.0000 0.0000 34458.4506 -149307.1987 300.9342 -183765.6494 -149209.3254 298.9355 66.0962 100.7686 555741.0402 0.3697 0.3635 PRESSURE: 632200 68.1567 -95.6824 65.1463 -95.6825 140.176 -18.9199 65.1467 -18.9211 92.5877 GPRESSURE: 632200 65.0197 -36.1162 80.6886 -117.543 224.616 -18.2685 46.8504 25.9753 112.787 PRESSAVG: 632200 0.975406 -64.14 24.4502 -64.1401 22.9272 -5.56747 24.4502 -5.5674 4.09344 GPRESSAVG: 632200 1.4438 -64.7186 26.8337 -65.769 21.8598 -1.89847 22.2987 -5.47533 4.64357 TIMING: 632200 CPU: 1836.39, 0.00291273/step Wall: 1836.39, 0.00291273/step, 3.53395 hours remaining, 204.253906 MB of memory in use. ENERGY: 632200 757.7676 2107.6255 1990.6572 116.3660 -206613.6200 18115.3120 0.0000 0.0000 34186.9289 -149338.9628 298.5630 -183525.8917 -149253.0186 298.8038 100.3068 134.1407 555744.7750 9.3320 9.3157 LDB: ============= START OF LOAD BALANCING ============== 1839.86 LDB: ============== END OF LOAD BALANCING =============== 1839.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1839.86 LDB: ============= START OF LOAD BALANCING ============== 1840.16 LDB: Largest compute 4855 load 0.027616 is 23.5% of average load 0.117594 LDB: Average compute 0.001734 is 1.5% of average load 0.117594 LDB: TIME 1840.16 LOAD: AVG 0.117594 MAX 0.17869 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.824 MB LDB: TIME 1840.16 LOAD: AVG 0.117594 MAX 0.17869 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: TIME 1840.16 LOAD: AVG 0.117594 MAX 0.17869 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1840.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1840.16 PRESSURE: 632400 -145.719 -107.679 -179.306 -107.679 -143.296 -57.6518 -179.306 -57.652 -87.3537 GPRESSURE: 632400 -85.687 -131.641 -201.802 -49.8868 -137.114 25.7714 -179.463 -79.7465 -49.4753 PRESSAVG: 632400 -85.4637 -53.1009 17.4256 -53.1009 81.4764 0.537854 17.4255 0.537841 60.8219 GPRESSAVG: 632400 -85.1468 -52.714 16.6999 -48.4331 82.1479 -1.69768 18.7246 1.05255 60.0547 TIMING: 632400 CPU: 1836.99, 0.00298144/step Wall: 1836.99, 0.00298144/step, 3.61715 hours remaining, 206.054688 MB of memory in use. ENERGY: 632400 722.9987 2127.0434 1992.3728 113.7387 -206099.4303 17531.3265 0.0000 0.0000 34354.2158 -149257.7344 300.0239 -183611.9502 -149157.6144 299.5172 -125.4561 -90.7589 555975.6956 18.9448 19.0186 PRESSURE: 632600 279.365 -126.657 -22.6108 -126.657 -80.0738 44.1755 -22.612 44.1755 282.077 GPRESSURE: 632600 290.324 -133.173 -102.683 14.3973 -38.5224 67.2163 -87.849 52.7747 314.624 PRESSAVG: 632600 -16.6044 -62.1886 -37.9829 -62.1885 -3.54632 -36.6701 -37.9829 -36.6701 38.6963 GPRESSAVG: 632600 -17.1951 -62.2844 -39.2088 -64.8241 -2.42613 -34.9281 -39.0496 -37.3143 38.0307 TIMING: 632600 CPU: 1837.57, 0.00291655/step Wall: 1837.57, 0.00291655/step, 3.53826 hours remaining, 206.125000 MB of memory in use. ENERGY: 632600 678.4072 2089.6175 1996.8422 109.7673 -206241.8290 17881.9339 0.0000 0.0000 34223.6533 -149261.6075 298.8837 -183485.2608 -149161.3145 299.2739 160.4560 188.8086 556583.1459 6.1818 6.1365 PRESSURE: 632800 -161.008 49.3801 0.288386 49.3812 120.335 123.932 0.287919 123.93 12.5802 GPRESSURE: 632800 -118.97 36.3829 -60.0977 -11.235 142.607 113.504 21.5234 186.61 41.3415 PRESSAVG: 632800 -13.6429 -24.1221 -37.2388 -24.1221 -5.23961 -13.3892 -37.2389 -13.3891 39.7888 GPRESSAVG: 632800 -13.8612 -23.3948 -34.8232 -24.7065 -6.45968 -13.5695 -37.3561 -16.0858 41.1448 TIMING: 632800 CPU: 1838.16, 0.00293034/step Wall: 1838.16, 0.00293034/step, 3.55483 hours remaining, 206.125000 MB of memory in use. ENERGY: 632800 761.8894 2066.0195 1948.3530 126.0001 -206325.2859 17964.4494 0.0000 0.0000 34289.7113 -149168.8631 299.4606 -183458.5744 -149073.2715 299.3210 -9.3643 21.6595 557886.1786 6.9688 6.9413 PRESSURE: 633000 -375.091 23.2469 -98.3987 23.2467 -248.484 87.7637 -98.3978 87.7643 -269.651 GPRESSURE: 633000 -368.436 42.4785 -31.3261 47.691 -147.19 105.741 -128.122 135.469 -279.239 PRESSAVG: 633000 -10.7674 3.90992 -2.88859 3.90992 -6.18737 -8.81441 -2.88862 -8.81441 57.147 GPRESSAVG: 633000 -9.66324 4.15268 -3.25418 4.41453 -6.88099 -8.18836 -3.4604 -8.36654 56.9451 TIMING: 633000 CPU: 1838.74, 0.00292359/step Wall: 1838.74, 0.00292359/step, 3.54648 hours remaining, 206.125000 MB of memory in use. ENERGY: 633000 728.3709 2091.3454 1941.7173 128.4578 -205966.0877 17411.4838 0.0000 0.0000 34511.3615 -149153.3510 301.3963 -183664.7125 -149059.3674 299.2333 -297.7418 -264.9551 558990.7429 13.3974 13.4670 PRESSURE: 633200 -68.1741 76.6298 -14.4482 76.6296 -61.0112 -44.0734 -14.4473 -44.0725 -147.771 GPRESSURE: 633200 -15.1079 17.6629 -46.7707 50.7346 -13.6066 -78.5752 -8.70123 -57.5861 -140.059 PRESSAVG: 633200 -0.55517 21.664 24.8549 21.6641 88.1654 -4.61982 24.855 -4.61982 -78.2385 GPRESSAVG: 633200 -0.668809 21.1825 23.3477 21.808 88.6168 -5.28791 26.6905 -2.15692 -79.0476 TIMING: 633200 CPU: 1839.32, 0.00291194/step Wall: 1839.32, 0.00291194/step, 3.53219 hours remaining, 206.125000 MB of memory in use. ENERGY: 633200 731.6556 2104.1390 1939.1053 119.3055 -206110.8679 17785.2362 0.0000 0.0000 34329.4026 -149102.0236 299.8072 -183431.4262 -149002.2888 299.3128 -92.3187 -56.2577 559333.3478 3.1239 2.9668 PRESSURE: 633400 64.7687 -187.721 -62.6896 -187.722 -83.118 37.2587 -62.6894 37.2568 202.987 GPRESSURE: 633400 26.9003 -182.926 -33.9846 -185.103 -11.3374 64.5632 -175.028 12.5175 267.8 PRESSAVG: 633400 -9.96085 -17.2269 -55.3839 -17.2269 71.0948 33.1177 -55.3838 33.1176 -6.87696 GPRESSAVG: 633400 -10.2043 -16.3246 -54.9966 -17.1144 71.6639 33.8985 -56.2105 31.5899 -6.32541 TIMING: 633400 CPU: 1839.9, 0.00288588/step Wall: 1839.9, 0.00288589/step, 3.50042 hours remaining, 206.125000 MB of memory in use. ENERGY: 633400 726.5620 2083.5070 1980.1855 114.2790 -206151.7260 17828.4595 0.0000 0.0000 34209.2760 -149209.4571 298.7581 -183418.7330 -149113.1691 299.3548 61.5459 94.4543 558100.2516 18.0857 18.3781 PRESSURE: 633600 -80.8006 46.5471 -70.7668 46.5465 110.861 86.0824 -70.7665 86.0815 38.4407 GPRESSURE: 633600 -1.69939 -0.966803 -46.6312 95.4452 170.039 38.2042 -107.363 71.6771 -5.68181 PRESSAVG: 633600 -49.1993 -46.6236 -34.6512 -46.6236 21.558 -22.9412 -34.6511 -22.9411 -18.9254 GPRESSAVG: 633600 -49.4439 -47.3235 -33.1673 -46.7477 20.6656 -25.8337 -35.4046 -22.8896 -18.3038 TIMING: 633600 CPU: 1840.48, 0.00290562/step Wall: 1840.48, 0.00290562/step, 3.52419 hours remaining, 206.195312 MB of memory in use. ENERGY: 633600 733.3568 2089.0327 1964.7199 120.1569 -206340.1858 18006.4909 0.0000 0.0000 34253.6689 -149172.7597 299.1458 -183426.4286 -149073.9043 299.1614 22.8338 54.2193 557837.2848 -15.5223 -15.6940 PRESSURE: 633800 -211.049 -27.9927 -38.417 -27.9932 -179.202 -47.4337 -38.4169 -47.4351 -76.4784 GPRESSURE: 633800 -194.88 -56.5332 -59.7767 -3.74488 -111.328 -42.8149 -53.6686 -15.9536 -63.4695 PRESSAVG: 633800 18.5124 13.4024 -63.1689 13.4023 48.3229 -39.4604 -63.1688 -39.4604 -17.471 GPRESSAVG: 633800 19.6689 13.7322 -62.2246 12.8775 48.3875 -37.6941 -64.2656 -39.3249 -18.9243 TIMING: 633800 CPU: 1841.07, 0.0029145/step Wall: 1841.07, 0.0029145/step, 3.5348 hours remaining, 206.195312 MB of memory in use. ENERGY: 633800 773.5747 2049.5251 1981.1241 107.0917 -205959.4461 17537.4963 0.0000 0.0000 34390.8337 -149119.8005 300.3437 -183510.6342 -149022.5873 298.8294 -155.5762 -123.2258 556150.6635 16.4548 16.3774 PRESSURE: 634000 146.129 99.4193 -59.9819 99.4209 202.595 177.417 -59.9813 177.418 -155.959 GPRESSURE: 634000 243.243 120.186 -42.3478 115.683 199.311 224.09 -63.3517 186.158 -159.76 PRESSAVG: 634000 -6.16284 18.4463 -64.6699 18.4464 33.0537 -1.58513 -64.6698 -1.58524 -36.9429 GPRESSAVG: 634000 -7.19831 18.032 -66.6845 19.2084 32.2586 0.158717 -63.7408 -1.69539 -34.7446 TIMING: 634000 CPU: 1841.64, 0.0028815/step Wall: 1841.64, 0.0028815/step, 3.49462 hours remaining, 206.195312 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: 634000 758.3272 2068.2302 1965.5476 109.3377 -206227.7880 17895.3432 0.0000 0.0000 34264.9946 -149166.0075 299.2447 -183431.0021 -149067.5574 299.1984 64.2552 94.2646 556512.1879 -3.3507 -3.2281 PRESSURE: 634200 49.9171 96.6293 -129.145 96.6291 95.9823 18.2524 -129.146 18.253 -37.8939 GPRESSURE: 634200 60.0316 60.0614 -76.5495 83.2929 101.195 -80.5435 -150.174 60.551 48.7359 PRESSAVG: 634200 9.06858 27.7857 -50.5334 27.7857 14.1781 21.0596 -50.5335 21.0596 9.55151 GPRESSAVG: 634200 8.56275 27.7355 -51.3468 28.0082 16.2807 20.7469 -48.0722 21.4715 7.92318 TIMING: 634200 CPU: 1842.22, 0.00291023/step Wall: 1842.22, 0.00291023/step, 3.5293 hours remaining, 206.195312 MB of memory in use. ENERGY: 634200 727.1871 2069.6269 1969.0367 116.1557 -205799.2274 17746.9769 0.0000 0.0000 34108.6929 -149061.5512 297.8797 -183170.2441 -148966.3917 298.9917 36.0018 69.9875 557431.2748 10.9327 10.9222 PRESSURE: 634400 -566.943 -140.387 -17.5888 -140.386 -180.935 -109.204 -17.5892 -109.203 -264.409 GPRESSURE: 634400 -519.642 -119.839 38.0573 -64.8228 -177.767 -38.2285 -49.5057 -139.451 -211.583 PRESSAVG: 634400 -43.7794 -22.5683 22.0942 -22.5683 19.1938 -19.7291 22.0943 -19.7291 -10.8299 GPRESSAVG: 634400 -42.3513 -22.0334 21.0701 -21.6634 18.6106 -20.5098 20.399 -19.9244 -10.9847 TIMING: 634400 CPU: 1842.8, 0.00288398/step Wall: 1842.8, 0.00288398/step, 3.49731 hours remaining, 206.195312 MB of memory in use. ENERGY: 634400 742.7680 2113.8061 1965.7410 109.3709 -205710.8343 17179.2048 0.0000 0.0000 34417.4123 -149182.5312 300.5758 -183599.9435 -149079.3871 299.1940 -337.4290 -302.9972 558318.4272 -11.8052 -11.5751 PRESSURE: 634600 -337.322 95.2206 88.0435 95.2208 65.6012 -167.926 88.0429 -167.925 117.36 GPRESSURE: 634600 -276.313 117.882 134.391 94.183 95.8127 -159.615 48.7393 -225.281 110.721 PRESSAVG: 634600 -42.3219 -26.5919 22.6475 -26.592 110.208 -23.4649 22.6475 -23.4647 -33.0781 GPRESSAVG: 634600 -42.6926 -26.7097 25.3362 -27.8002 109.651 -24.5555 22.531 -21.5007 -32.4515 TIMING: 634600 CPU: 1843.38, 0.00288425/step Wall: 1843.38, 0.00288425/step, 3.49747 hours remaining, 206.195312 MB of memory in use. ENERGY: 634600 760.5898 2079.6047 1970.5983 113.5342 -206015.5496 17707.2488 0.0000 0.0000 34247.3215 -149136.6522 299.0904 -183383.9737 -149040.7077 299.2987 -51.4537 -23.2595 556910.1329 11.6027 11.5022 PRESSURE: 634800 -7.68962 -91.8677 29.5076 -91.8678 285.412 -137.051 29.5084 -137.05 -84.7692 GPRESSURE: 634800 67.4317 -92.6428 29.9808 -73.5626 283.55 -121.597 -20.9559 -93.9068 -61.5608 PRESSAVG: 634800 -16.5583 -22.5367 -55.9602 -22.5367 45.172 -59.4464 -55.9602 -59.4465 33.2065 GPRESSAVG: 634800 -15.8853 -22.5504 -56.8995 -23.3707 45.2035 -57.7109 -54.8113 -61.8471 32.2563 TIMING: 634800 CPU: 1843.96, 0.00289485/step Wall: 1843.96, 0.00289485/step, 3.51017 hours remaining, 206.437500 MB of memory in use. ENERGY: 634800 733.2068 2102.3676 1964.7729 114.9145 -206068.8856 17836.9840 0.0000 0.0000 34122.5682 -149194.0717 298.0009 -183316.6399 -149102.1546 299.4099 64.3178 96.4737 557388.9111 20.6067 20.5248 PRESSURE: 635000 -147.883 97.9902 -72.9837 97.9905 -266.865 47.7756 -72.9831 47.7756 105.182 GPRESSURE: 635000 -106.19 54.6698 19.447 104.688 -235.173 52.8509 -148.748 -42.0122 118.95 PRESSAVG: 635000 53.7246 -15.3068 -54.0956 -15.3067 16.4277 16.1416 -54.0957 16.1414 -73.4896 GPRESSAVG: 635000 52.4305 -16.9307 -53.7054 -13.7514 17.6511 14.0075 -54.448 18.399 -73.0196 TIMING: 635000 CPU: 1844.54, 0.00289665/step Wall: 1844.54, 0.00289665/step, 3.51219 hours remaining, 206.437500 MB of memory in use. ENERGY: 635000 772.4629 2018.6506 1972.4837 116.6725 -206171.5170 17701.9983 0.0000 0.0000 34102.1800 -149487.0690 297.8228 -183589.2490 -149392.6985 298.0986 -103.1885 -74.1378 558783.3659 -1.1125 -0.9793 PRESSURE: 635200 -167.727 -173.196 30.3901 -173.197 51.4999 -194.493 30.3896 -194.492 140.375 GPRESSURE: 635200 -143.852 -236.665 14.2607 -179.586 79.3045 -145.204 63.4128 -163.797 192.467 PRESSAVG: 635200 16.3791 -42.3741 -57.5448 -42.3741 4.14123 -31.6493 -57.5448 -31.6493 2.50039 GPRESSAVG: 635200 15.397 -39.5017 -57.987 -42.9664 5.076 -32.6264 -56.45 -31.3495 2.88299 TIMING: 635200 CPU: 1845.12, 0.00289485/step Wall: 1845.12, 0.00289486/step, 3.50985 hours remaining, 206.437500 MB of memory in use. ENERGY: 635200 733.6178 2058.7228 1999.1172 113.9069 -206367.0662 17976.5567 0.0000 0.0000 34118.2082 -149366.9365 297.9628 -183485.1448 -149273.1325 298.3202 8.0493 42.6396 559328.0991 7.6736 7.7853 PRESSURE: 635400 -18.415 -13.4231 153.147 -13.4227 78.234 -48.2147 153.148 -48.2159 154.258 GPRESSURE: 635400 -2.10414 -11.2528 109.843 -14.3497 103.444 -64.0693 161.968 -73.9346 216.425 PRESSAVG: 635400 -13.2898 19.3514 -36.25 19.3515 76.8779 -35.5204 -36.2501 -35.5203 -82.0388 GPRESSAVG: 635400 -12.8084 17.5196 -35.4934 18.4063 74.6115 -33.2412 -36.5524 -38.1879 -80.8668 TIMING: 635400 CPU: 1845.7, 0.00290877/step Wall: 1845.7, 0.00290877/step, 3.52656 hours remaining, 206.437500 MB of memory in use. ENERGY: 635400 716.4307 2009.2696 1992.2936 112.0440 -206568.3708 18015.8966 0.0000 0.0000 34332.3577 -149390.0786 299.8330 -183722.4364 -149289.2903 298.8885 71.3590 105.9216 558102.8579 -6.1502 -6.3546 PRESSURE: 635600 140.782 -104.227 38.8033 -104.227 35.4885 -213.642 38.802 -213.642 99.5631 GPRESSURE: 635600 250.462 -150.69 37.0692 -29.3958 55.8506 -201.678 -31.6376 -147.497 75.7997 PRESSAVG: 635600 -30.8186 25.9072 -6.32379 25.9071 9.58205 11.133 -6.32377 11.133 -27.136 GPRESSAVG: 635600 -31.1156 26.1077 -5.86164 27.0814 10.2786 12.3947 -7.82176 12.2773 -27.8243 TIMING: 635600 CPU: 1846.28, 0.00289206/step Wall: 1846.28, 0.00289206/step, 3.50614 hours remaining, 206.437500 MB of memory in use. ENERGY: 635600 759.3487 2093.2063 1946.1562 118.9133 -206788.4676 18162.5160 0.0000 0.0000 34265.0877 -149443.2394 299.2455 -183708.3271 -149346.8412 298.4859 91.9444 127.3707 556937.5082 -16.1242 -16.2204 PRESSURE: 635800 68.1697 -46.9341 45.2304 -46.9349 -237.195 -143.697 45.2303 -143.698 -101.439 GPRESSURE: 635800 128.91 -63.9855 30.3695 -87.3692 -223.381 -40.0147 60.6497 -244.867 -76.099 PRESSAVG: 635800 -3.2545 -1.97047 -8.78472 -1.97044 18.3088 -62.2867 -8.78462 -62.2867 -22.9201 GPRESSAVG: 635800 -1.80021 -0.854322 -10.5695 -2.29886 16.9938 -63.4394 -7.461 -62.8167 -22.9847 TIMING: 635800 CPU: 1846.85, 0.00288282/step Wall: 1846.85, 0.00288282/step, 3.49478 hours remaining, 206.437500 MB of memory in use. ENERGY: 635800 723.4790 2032.9860 1985.4254 108.9338 -206338.0382 17874.0101 0.0000 0.0000 33928.9602 -149684.2437 296.3100 -183613.2039 -149589.0564 298.0557 -90.1547 -56.8567 558505.4266 -2.6220 -2.5970 PRESSURE: 636000 -44.2865 25.8031 -33.3451 25.8027 -11.1109 -98.254 -33.3447 -98.2541 41.3416 GPRESSURE: 636000 3.55864 -8.06611 -5.46676 13.5954 33.8636 -170.75 36.28 -78.1757 40.5437 PRESSAVG: 636000 -4.91009 14.7819 -64.7225 14.7819 -23.6363 -29.7228 -64.7225 -29.7229 35.066 GPRESSAVG: 636000 -4.43147 13.4471 -61.9576 15.0111 -23.0932 -32.1812 -66.247 -28.054 33.4188 TIMING: 636000 CPU: 1847.43, 0.00287481/step Wall: 1847.43, 0.00287481/step, 3.48491 hours remaining, 206.437500 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: 636000 746.1047 2066.5847 1955.9064 116.8574 -206636.1247 17925.1924 0.0000 0.0000 34146.7187 -149678.7604 298.2118 -183825.4791 -149588.5560 297.4300 -4.6853 25.9887 556812.1961 2.1732 1.9647 PRESSURE: 636200 -224.509 -7.46277 -42.9274 -7.4633 35.0603 5.56724 -42.9272 5.56558 -148.792 GPRESSURE: 636200 -240.756 29.4398 -110.184 19.2003 118.891 -6.15173 -20.9219 -57.6051 -108.156 PRESSAVG: 636200 14.4617 3.64596 -12.9849 3.64591 31.3484 16.507 -12.985 16.5071 12.1635 GPRESSAVG: 636200 13.3289 3.48713 -13.9255 2.75965 31.091 17.8309 -14.6124 14.7556 13.5875 TIMING: 636200 CPU: 1848, 0.00288578/step Wall: 1848, 0.00288578/step, 3.49804 hours remaining, 206.437500 MB of memory in use. ENERGY: 636200 755.9666 2035.3168 1983.5643 113.0503 -206430.2154 17809.4254 0.0000 0.0000 34054.7551 -149678.1370 297.4086 -183732.8920 -149582.5293 297.7384 -112.7466 -76.6740 557369.7235 19.3246 19.3358 LDB: ============= START OF LOAD BALANCING ============== 1851.47 LDB: ============== END OF LOAD BALANCING =============== 1851.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1851.47 LDB: ============= START OF LOAD BALANCING ============== 1851.76 LDB: Largest compute 4855 load 0.028803 is 24.5% of average load 0.117516 LDB: Average compute 0.001739 is 1.5% of average load 0.117516 LDB: TIME 1851.76 LOAD: AVG 0.117516 MAX 0.179489 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.949 MB LDB: TIME 1851.76 LOAD: AVG 0.117516 MAX 0.179489 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: TIME 1851.76 LOAD: AVG 0.117516 MAX 0.179489 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1851.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1851.77 PRESSURE: 636400 -127.117 57.1697 181.548 57.1703 -184 175.65 181.548 175.65 -250.175 GPRESSURE: 636400 -105.125 66.9381 91.0575 12.1507 -143.621 208.7 164.282 183.578 -227.591 PRESSAVG: 636400 4.03188 22.2476 9.55691 22.2475 27.4513 23.8356 9.55696 23.8355 -34.1142 GPRESSAVG: 636400 4.00163 21.6008 5.53209 23.3644 27.0927 24.072 12.5587 24.5061 -33.8617 TIMING: 636400 CPU: 1848.59, 0.00295237/step Wall: 1848.59, 0.00295237/step, 3.5786 hours remaining, 205.476562 MB of memory in use. ENERGY: 636400 770.6057 2064.2675 1980.0383 120.1346 -206309.5254 17543.6742 0.0000 0.0000 34230.4460 -149600.3590 298.9430 -183830.8050 -149501.8709 297.5580 -187.0970 -158.7792 557390.6099 -0.8770 -0.9224 PRESSURE: 636600 9.69763 92.558 106.542 92.5575 -178.082 -19.2439 106.543 -19.2433 -215.104 GPRESSURE: 636600 33.924 84.5736 113.283 52.187 -152.06 -97.611 88.4493 92.5023 -158.715 PRESSAVG: 636600 48.7803 7.61505 31.4643 7.61497 26.0121 31.4931 31.4643 31.4932 -54.2207 GPRESSAVG: 636600 48.7309 8.80718 36.5538 6.36685 25.6402 29.7173 27.9162 33.8234 -53.1387 TIMING: 636600 CPU: 1849.17, 0.00287887/step Wall: 1849.17, 0.00287887/step, 3.48935 hours remaining, 205.546875 MB of memory in use. ENERGY: 636600 745.0921 2090.7833 1956.8420 108.1674 -206494.9530 17762.9588 0.0000 0.0000 34067.1746 -149763.9347 297.5171 -183831.1093 -149668.3629 297.6728 -127.8293 -92.2839 556736.3915 6.8572 7.0774 PRESSURE: 636800 -155.758 -8.13455 -42.2885 -8.13599 -91.1184 -54.4401 -42.2878 -54.4403 -57.007 GPRESSURE: 636800 -121.47 8.3404 -113.972 -27.8231 -33.4543 -44.5493 -15.1503 19.1177 -49.6196 PRESSAVG: 636800 42.9459 29.5738 46.4208 29.5736 25.9599 35.6403 46.4208 35.6403 -40.7737 GPRESSAVG: 636800 43.1598 30.5212 44.2691 28.8661 27.1579 36.3533 48.6558 34.3717 -42.4731 TIMING: 636800 CPU: 1849.75, 0.00288743/step Wall: 1849.75, 0.00288743/step, 3.49956 hours remaining, 205.546875 MB of memory in use. ENERGY: 636800 765.4299 2083.0145 1952.3125 116.0135 -206636.1510 17945.7039 0.0000 0.0000 34053.8094 -149719.8672 297.4004 -183773.6766 -149626.6961 298.3238 -101.2946 -68.1814 557530.3633 9.3773 9.2815 PRESSURE: 637000 2.03764 85.2542 -30.3286 85.2544 -202.874 0.450786 -30.3285 0.452662 -42.7226 GPRESSURE: 637000 42.8428 109.33 -7.18872 118.242 -180.579 7.16081 43.615 -57.6993 -7.64601 PRESSAVG: 637000 28.755 15.4059 38.0757 15.406 -29.6656 35.5984 38.0757 35.5985 -4.02598 GPRESSAVG: 637000 28.5918 14.8915 39.0694 17.2895 -30.4033 38.073 39.0106 31.3113 -2.77697 TIMING: 637000 CPU: 1850.33, 0.00289987/step Wall: 1850.33, 0.00289987/step, 3.51448 hours remaining, 205.546875 MB of memory in use. ENERGY: 637000 739.4498 2091.5610 1952.8884 110.9253 -205964.0567 17615.2627 0.0000 0.0000 34057.2310 -149396.7384 297.4303 -183453.9694 -149295.3322 297.7112 -81.1863 -48.4609 558543.1069 -1.6455 -1.5295 PRESSURE: 637200 -139.418 31.1186 -105.375 31.118 -180.132 -30.6668 -105.375 -30.6665 2.21622 GPRESSURE: 637200 -166.353 142.801 -186.9 19.3378 -158.986 0.0280637 -52.3241 -115.099 102.491 PRESSAVG: 637200 52.8735 14.2583 11.8955 14.2582 -59.9664 15.9457 11.8955 15.9458 -14.2459 GPRESSAVG: 637200 52.8701 12.4804 9.85464 14.4097 -59.5509 15.0559 12.5484 17.4128 -14.5377 TIMING: 637200 CPU: 1850.91, 0.002928/step Wall: 1850.91, 0.002928/step, 3.54841 hours remaining, 205.546875 MB of memory in use. ENERGY: 637200 777.9086 2057.1458 1980.3684 118.0006 -206247.6559 17739.3270 0.0000 0.0000 34280.0498 -149294.8557 299.3762 -183574.9055 -149200.7609 298.3988 -105.7779 -74.2825 558748.1881 -7.1129 -7.0728 PRESSURE: 637400 -92.7761 95.0266 -69.7057 95.0283 21.0948 -78.1846 -69.7067 -78.1861 97.4248 GPRESSURE: 637400 -106.866 96.929 -58.1496 133.193 56.442 -163.413 -97.7664 -100.955 167.785 PRESSAVG: 637400 37.7292 -20.0689 -9.50533 -20.0689 -27.1866 -10.2759 -9.50541 -10.276 -34.1013 GPRESSAVG: 637400 38.1582 -20.4592 -8.11292 -18.9264 -27.0248 -12.6129 -10.1822 -7.20196 -34.6088 TIMING: 637400 CPU: 1851.5, 0.0029148/step Wall: 1851.5, 0.0029148/step, 3.53225 hours remaining, 205.546875 MB of memory in use. ENERGY: 637400 727.4738 2078.6521 1972.6381 117.6078 -206287.6241 17882.8156 0.0000 0.0000 34246.0077 -149262.4290 299.0789 -183508.4367 -149164.1903 298.8651 8.5812 39.1204 558132.4199 -7.8529 -7.8251 PRESSURE: 637600 113.061 -230.377 -185.809 -230.377 47.1145 -173.3 -185.81 -173.3 -167.885 GPRESSURE: 637600 127.312 -159.635 -176.531 -232.707 81.0476 -163.807 -136.236 -157.521 -114.931 PRESSAVG: 637600 -11.1028 -31.9176 -55.1874 -31.9176 17.2035 -5.53328 -55.1873 -5.53328 41.9095 GPRESSAVG: 637600 -9.95333 -30.4853 -54.6503 -34.3867 15.5426 -4.23901 -53.4953 -6.48056 42.293 TIMING: 637600 CPU: 1852.08, 0.0029129/step Wall: 1852.08, 0.0029129/step, 3.52979 hours remaining, 205.546875 MB of memory in use. ENERGY: 637600 751.8422 2065.9674 1982.7227 118.4418 -206206.6681 17902.6466 0.0000 0.0000 34061.9811 -149323.0664 297.4718 -183385.0475 -149229.2886 299.0142 -2.5697 31.1429 559275.1471 16.0034 15.9608 PRESSURE: 637800 -344.583 65.7314 88.1394 65.7322 119.014 -68.1477 88.1382 -68.147 -59.7146 GPRESSURE: 637800 -303.397 72.282 123.148 105.212 183.41 -126.024 54.2449 -34.4186 -67.9019 PRESSAVG: 637800 -18.8016 -12.6348 -0.135914 -12.6348 -3.07703 -10.2601 -0.135949 -10.2602 -12.2436 GPRESSAVG: 637800 -19.9103 -9.67852 -0.656758 -13.6259 -1.08783 -11.0043 -0.431887 -11.4095 -13.1071 TIMING: 637800 CPU: 1852.66, 0.00292963/step Wall: 1852.66, 0.00292963/step, 3.5499 hours remaining, 205.617188 MB of memory in use. ENERGY: 637800 745.5211 2056.9645 2015.3612 100.5411 -206246.5394 17684.3360 0.0000 0.0000 34274.5439 -149369.2717 299.3281 -183643.8156 -149269.5336 298.5117 -95.0946 -62.6298 557601.4490 -11.3740 -11.3684 PRESSURE: 638000 -136.703 165.394 -59.479 165.394 -195.959 -160.14 -59.4776 -160.139 -23.3859 GPRESSURE: 638000 -185.136 185.75 -67.3292 150.432 -116.807 -78.177 -77.1724 -188.81 41.2402 PRESSAVG: 638000 -17.7288 26.3269 60.719 26.3269 36.425 -22.3104 60.7191 -22.3104 -22.5811 GPRESSAVG: 638000 -18.6522 25.0868 61.0368 27.6225 36.953 -21.7294 60.5573 -20.9409 -20.7215 TIMING: 638000 CPU: 1853.25, 0.00290315/step Wall: 1853.25, 0.00290315/step, 3.51765 hours remaining, 205.617188 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: 638000 749.2644 2069.0583 1970.4234 109.9659 -205895.0702 17711.7188 0.0000 0.0000 33998.1111 -149286.5282 296.9140 -183284.6393 -149180.8376 298.0510 -118.6826 -86.9010 558632.2372 -1.2950 -0.8069 PRESSURE: 638200 43.9978 122.866 -72.2817 122.865 -198.405 73.1392 -72.2807 73.1381 -159.423 GPRESSURE: 638200 80.6152 104.448 -95.5467 120.168 -211.539 132.755 64.5666 -19.0222 -96.7858 PRESSAVG: 638200 -26.4343 -29.7652 -60.1935 -29.7652 59.4776 7.87987 -60.1934 7.87977 -19.1206 GPRESSAVG: 638200 -24.6719 -30.9611 -62.1786 -27.7665 58.8977 7.88539 -60.5207 6.65398 -20.5718 TIMING: 638200 CPU: 1853.83, 0.0029109/step Wall: 1853.83, 0.0029109/step, 3.52688 hours remaining, 205.617188 MB of memory in use. ENERGY: 638200 720.7919 2115.6198 1963.2414 117.0790 -205886.8867 17671.3544 0.0000 0.0000 34001.9143 -149296.8859 296.9472 -183298.8002 -149202.1543 298.3262 -104.6100 -75.9032 558311.5938 4.6409 4.5513 PRESSURE: 638400 29.2615 77.737 51.4182 77.7357 -198.233 -10.0685 51.4174 -10.0685 -105.596 GPRESSURE: 638400 73.6169 63.4944 30.9313 59.2379 -148.779 2.44503 102.371 -30.4003 -98.5479 PRESSAVG: 638400 24.4259 -15.3827 28.6302 -15.3828 -21.2954 32.4485 28.6303 32.4485 17.8274 GPRESSAVG: 638400 23.2368 -16.3313 31.0955 -15.5675 -22.1821 31.2977 28.7767 34.0818 18.9264 TIMING: 638400 CPU: 1854.41, 0.00292901/step Wall: 1854.41, 0.00292901/step, 3.54866 hours remaining, 205.617188 MB of memory in use. ENERGY: 638400 717.3311 2166.1514 1958.8424 122.8950 -206298.2009 17839.7963 0.0000 0.0000 34090.3161 -149402.8686 297.7192 -183493.1846 -149303.5248 298.4083 -91.5223 -57.9033 556854.3723 6.9860 6.6603 PRESSURE: 638600 -132.924 62.0753 61.2905 62.0765 -315.888 -0.884117 61.2912 -0.884162 -143.828 GPRESSURE: 638600 -135.024 80.045 19.9015 99.8275 -283.232 3.48786 83.4001 -33.8631 -96.1407 PRESSAVG: 638600 31.5138 -19.7241 -3.05551 -19.7241 -25.226 0.923122 -3.05553 0.923155 6.29912 GPRESSAVG: 638600 31.1912 -16.7313 -5.14066 -23.3719 -25.8604 2.23556 -0.945369 -0.317729 6.80631 TIMING: 638600 CPU: 1854.99, 0.0029028/step Wall: 1854.99, 0.0029028/step, 3.51674 hours remaining, 205.726562 MB of memory in use. ENERGY: 638600 739.6876 2112.4591 1958.2149 122.2869 -205778.2855 17419.9644 0.0000 0.0000 33989.7443 -149435.9283 296.8409 -183425.6726 -149349.3851 298.5597 -197.5464 -171.4656 558735.2512 4.1956 4.0457 PRESSURE: 638800 -130.529 48.8405 97.564 48.8416 -0.582139 6.7422 97.5632 6.74204 -341.509 GPRESSURE: 638800 -144.908 51.1282 169.978 18.0011 42.7978 75.0107 24.6857 -130.385 -260.651 PRESSAVG: 638800 -18.2687 -24.0931 22.9541 -24.093 25.3179 1.27523 22.9541 1.27513 7.97417 GPRESSAVG: 638800 -18.74 -25.0922 24.229 -23.6108 27.1024 2.25805 20.2274 0.0444033 7.10926 TIMING: 638800 CPU: 1855.58, 0.00293246/step Wall: 1855.58, 0.00293246/step, 3.55252 hours remaining, 205.726562 MB of memory in use. ENERGY: 638800 779.6906 2077.0580 1960.6305 129.5952 -206186.3363 17518.4315 0.0000 0.0000 34352.0600 -149368.8704 300.0051 -183720.9304 -149273.9994 299.2506 -157.5403 -120.9203 557144.9091 5.0078 5.1572 PRESSURE: 639000 -154.312 -69.2192 -110.001 -69.219 -159.3 -31.0631 -110.001 -31.0635 -2.27464 GPRESSURE: 639000 -86.1311 -138.081 3.66796 -60.7882 -143.149 -71.0761 -98.2146 -6.29334 28.6472 PRESSAVG: 639000 -41.8215 22.1048 23.1286 22.1047 50.8399 -47.3633 23.1286 -47.3632 3.34266 GPRESSAVG: 639000 -40.651 22.1292 23.6471 25.9785 49.7408 -50.1086 23.2928 -46.554 3.47381 TIMING: 639000 CPU: 1856.16, 0.00291216/step Wall: 1856.16, 0.00291216/step, 3.52775 hours remaining, 205.726562 MB of memory in use. ENERGY: 639000 724.4518 2105.8702 1987.9207 120.5947 -206127.9138 17580.9557 0.0000 0.0000 34260.1339 -149347.9868 299.2023 -183608.1207 -149249.2903 298.9384 -105.2956 -66.8776 558131.8690 4.1204 4.1879 PRESSURE: 639200 140.531 -48.8416 179.305 -48.8419 -36.9869 -132.306 179.306 -132.305 -62.7606 GPRESSURE: 639200 213.216 -77.1943 105.014 -56.3089 -47.5347 -110.473 174.136 -145.411 -27.5675 PRESSAVG: 639200 20.5608 -1.72062 6.37253 -1.72072 20.4011 -10.8626 6.37255 -10.8626 -31.4283 GPRESSAVG: 639200 19.3093 0.206799 6.10261 -5.42748 20.198 -6.57312 6.72782 -12.8377 -30.1004 TIMING: 639200 CPU: 1856.74, 0.00290612/step Wall: 1856.74, 0.00290612/step, 3.52028 hours remaining, 205.726562 MB of memory in use. ENERGY: 639200 750.6767 2105.0234 1975.4766 116.7850 -206264.3195 17849.5379 0.0000 0.0000 34181.6909 -149285.1290 298.5172 -183466.8198 -149189.5211 298.6046 13.5946 46.0379 556799.1842 3.1779 3.1356 PRESSURE: 639400 25.5407 205.169 -89.7585 205.171 66.5755 -123.668 -89.7569 -123.669 103.542 GPRESSURE: 639400 72.4861 198.683 -95.941 173.276 111.209 -63.7874 -80.6351 -289.071 112.937 PRESSAVG: 639400 29.4287 -16.6284 5.98836 -16.6285 -11.1108 -34.4165 5.98838 -34.4165 1.26823 GPRESSAVG: 639400 30.6107 -16.9472 5.73566 -17.408 -11.1526 -38.7278 6.00084 -30.7541 -0.124795 TIMING: 639400 CPU: 1857.32, 0.0028984/step Wall: 1857.32, 0.0028984/step, 3.51077 hours remaining, 205.726562 MB of memory in use. ENERGY: 639400 761.6955 2107.2476 1940.4512 109.9169 -206452.9754 18032.0813 0.0000 0.0000 34107.0888 -149394.4941 297.8657 -183501.5829 -149297.7872 298.7693 65.2195 98.8774 557036.3210 6.5287 6.4444 PRESSURE: 639600 101.169 -98.2523 111.267 -98.2526 82.4031 98.1641 111.267 98.165 90.6326 GPRESSURE: 639600 114.622 -104.564 98.6792 -169.951 153.718 176.743 119.929 22.5699 102.319 PRESSAVG: 639600 3.31671 7.23104 26.1773 7.23107 -27.152 37.8731 26.1772 37.8732 40.4444 GPRESSAVG: 639600 2.57366 6.61355 25.1643 7.74078 -27.6178 40.5636 26.2416 35.832 41.3947 TIMING: 639600 CPU: 1857.9, 0.00288491/step Wall: 1857.9, 0.00288491/step, 3.49426 hours remaining, 205.726562 MB of memory in use. ENERGY: 639600 714.5238 2034.0726 1986.5600 121.7772 -206441.2452 17986.5168 0.0000 0.0000 34122.0629 -149475.7321 297.9965 -183597.7950 -149376.3562 298.6247 91.4014 123.5530 557358.8414 5.5364 5.4502 PRESSURE: 639800 147.264 -36.5035 31.7411 -36.5039 328.127 11.9119 31.7416 11.9121 -159.151 GPRESSURE: 639800 188.937 -28.1374 85.9794 -23.3834 355.346 36.8693 -0.758767 50.1058 -126.115 PRESSAVG: 639800 -60.102 24.3764 20.055 24.3763 38.7089 -66.9627 20.055 -66.9627 -18.3315 GPRESSAVG: 639800 -59.9334 23.2345 20.8901 25.1557 40.3775 -66.6521 22.2725 -66.6679 -20.3165 TIMING: 639800 CPU: 1858.48, 0.00290209/step Wall: 1858.48, 0.00290209/step, 3.51492 hours remaining, 205.726562 MB of memory in use. ENERGY: 639800 732.8819 2063.0621 1934.5065 104.1013 -206766.3348 18041.2209 0.0000 0.0000 34300.0347 -149590.5274 299.5507 -183890.5621 -149497.0022 298.4479 105.4134 139.3893 557083.8144 -13.2415 -13.2908 PRESSURE: 640000 -205.719 -42.1055 191.971 -42.1054 -150.586 -206.606 191.971 -206.605 -55.6121 GPRESSURE: 640000 -179.192 -31.3989 199.73 -32.1957 -101.651 -176.01 201.471 -134.73 -15.719 PRESSAVG: 640000 13.0089 -26.7306 13.0064 -26.7305 1.22068 -15.4005 13.0064 -15.4005 17.4592 GPRESSAVG: 640000 14.3221 -26.5884 13.7649 -27.0619 -0.0694014 -16.0454 10.4124 -13.7248 17.7097 TIMING: 640000 CPU: 1859.06, 0.00289323/step Wall: 1859.06, 0.00289323/step, 3.50403 hours remaining, 205.726562 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: 640000 753.1380 2062.2477 1962.0262 110.6809 -206587.1067 17887.2612 0.0000 0.0000 34231.4182 -149580.3346 298.9515 -183811.7528 -149478.9513 298.5475 -137.3057 -98.8541 558772.0823 10.5629 10.6541 PRESSURE: 640200 -81.834 -72.6723 11.6736 -72.6719 -164.931 88.9731 11.6721 88.972 -101.899 GPRESSURE: 640200 -21.0159 -139.062 -45.1098 -61.0537 -124.033 132.886 59.3998 90.4431 -100.922 PRESSAVG: 640200 -56.2005 -10.1689 67.0488 -10.1689 3.60062 -2.80512 67.0488 -2.80525 32.1102 GPRESSAVG: 640200 -56.7851 -11.6986 65.6696 -10.2384 3.14346 -1.22953 68.7551 -2.89835 33.5934 TIMING: 640200 CPU: 1859.64, 0.00288157/step Wall: 1859.64, 0.00288157/step, 3.48974 hours remaining, 205.726562 MB of memory in use. ENERGY: 640200 730.3053 2086.5736 1985.8216 111.3242 -205936.5027 17530.8545 0.0000 0.0000 34228.6180 -149263.0054 298.9270 -183491.6234 -149172.6248 298.2015 -116.2216 -81.9901 557453.9724 -6.8299 -6.6827 LDB: ============= START OF LOAD BALANCING ============== 1863.1 LDB: ============== END OF LOAD BALANCING =============== 1863.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1863.1 LDB: ============= START OF LOAD BALANCING ============== 1863.39 LDB: Largest compute 4855 load 0.029476 is 25.1% of average load 0.117560 LDB: Average compute 0.001743 is 1.5% of average load 0.117560 LDB: TIME 1863.39 LOAD: AVG 0.11756 MAX 0.175936 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.988 MB LDB: TIME 1863.39 LOAD: AVG 0.11756 MAX 0.175936 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 1863.39 LOAD: AVG 0.11756 MAX 0.175936 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 1863.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1863.4 PRESSURE: 640400 236.359 -22.3446 -59.9666 -22.3455 -173.157 95.019 -59.9675 95.016 -96.4283 GPRESSURE: 640400 268.014 70.7708 -13.4861 49.8388 -131.922 104.53 -68.795 75.2462 -67.156 PRESSAVG: 640400 9.94878 -23.4891 -19.2296 -23.4891 -40.9355 19.6529 -19.2296 19.6529 19.3462 GPRESSAVG: 640400 9.12937 -20.2499 -17.5678 -21.8269 -38.8863 16.2137 -19.7909 19.4631 18.3727 TIMING: 640400 CPU: 1860.22, 0.00293442/step Wall: 1860.22, 0.00293442/step, 3.55359 hours remaining, 203.937500 MB of memory in use. ENERGY: 640400 718.1856 2060.7057 1990.0747 135.2491 -206262.5799 17813.2957 0.0000 0.0000 34267.4467 -149277.6225 299.2661 -183545.0691 -149180.6171 299.3448 -11.0757 22.9787 557536.5946 -3.8802 -3.7948 PRESSURE: 640600 -117.255 263.998 -98.9427 264 235.186 57.8387 -98.9436 57.839 -188.688 GPRESSURE: 640600 -61.1483 193.614 -133.264 274.045 271.67 31.9897 -21.0621 22.1399 -188.474 PRESSAVG: 640600 -17.2033 25.1512 34.953 25.1513 49.012 -37.1053 34.953 -37.1053 -26.967 GPRESSAVG: 640600 -16.6162 23.7389 32.8164 24.3311 47.8995 -35.3899 35.9859 -37.6765 -26.4062 TIMING: 640600 CPU: 1860.8, 0.00290207/step Wall: 1860.8, 0.00290207/step, 3.51425 hours remaining, 204.140625 MB of memory in use. ENERGY: 640600 743.3896 2082.7896 1995.9575 122.8791 -206387.0397 17863.8798 0.0000 0.0000 34192.1653 -149385.9787 298.6087 -183578.1440 -149288.0357 299.0205 -23.5854 7.3493 555907.4086 1.6139 1.6257 PRESSURE: 640800 -243.022 -148.521 34.1836 -148.52 -192.165 -32.3709 34.1843 -32.3703 -229.277 GPRESSURE: 640800 -125.617 -234.841 84.8553 -128.047 -217.107 -17.6187 45.2344 -71.1047 -220.218 PRESSAVG: 640800 -9.19286 -31.7496 -27.5841 -31.7496 57.2832 -26.3552 -27.5841 -26.3553 -39.1763 GPRESSAVG: 640800 -8.85363 -31.892 -26.2688 -32.0209 55.983 -25.0356 -30.2936 -26.1 -38.2765 TIMING: 640800 CPU: 1861.38, 0.00288512/step Wall: 1861.38, 0.00288512/step, 3.49356 hours remaining, 204.210938 MB of memory in use. ENERGY: 640800 778.9753 2054.1941 1961.4711 113.0882 -206133.9283 17487.9135 0.0000 0.0000 34287.8265 -149450.4596 299.4441 -183738.2861 -149352.4209 298.4074 -221.4881 -187.6475 556685.2138 2.9713 2.9509 PRESSURE: 641000 -170.637 136.719 93.2142 136.72 -35.1505 115.091 93.2146 115.092 113.265 GPRESSURE: 641000 -124.227 135.838 99.5212 94.5514 32.2213 87.9962 146.785 184.919 89.119 PRESSAVG: 641000 -2.3502 -8.17769 27.4477 -8.1777 31.8491 9.88053 27.4478 9.88049 15.0002 GPRESSAVG: 641000 -3.45598 -7.43681 25.551 -8.56614 32.576 9.05952 27.7537 9.92369 15.2956 TIMING: 641000 CPU: 1861.96, 0.0029078/step Wall: 1861.96, 0.0029078/step, 3.52086 hours remaining, 204.210938 MB of memory in use. ENERGY: 641000 760.8085 2103.0174 1968.6640 113.3162 -206577.5781 17994.7364 0.0000 0.0000 34265.5779 -149371.4578 299.2498 -183637.0357 -149281.9077 299.3371 -30.8406 -0.9624 557123.0071 14.8331 14.8052 PRESSURE: 641200 -131.377 -54.2607 109.983 -54.2626 -217.422 -180.27 109.983 -180.27 -94.1261 GPRESSURE: 641200 -164.072 2.79026 122.742 -59.404 -132.767 -124.38 57.2156 -295.806 -70.5933 PRESSAVG: 641200 -13.2025 11.3512 -2.87787 11.3512 39.7602 -19.4008 -2.87783 -19.4007 -12.7657 GPRESSAVG: 641200 -11.3225 11.6766 -1.63913 11.4757 40.1795 -18.063 0.678252 -19.2393 -14.3616 TIMING: 641200 CPU: 1862.54, 0.002908/step Wall: 1862.54, 0.002908/step, 3.52094 hours remaining, 204.210938 MB of memory in use. ENERGY: 641200 724.9599 2066.3198 1983.0693 120.2128 -206048.4580 17620.9135 0.0000 0.0000 34058.6291 -149474.3535 297.4425 -183532.9826 -149380.7123 299.1398 -147.6415 -122.4774 557272.8109 4.5974 4.8318 PRESSURE: 641400 -223.215 47.8106 -192.634 47.8118 36.7058 59.8797 -192.634 59.8804 -132.543 GPRESSURE: 641400 -237.895 60.9412 -159.119 59.0327 53.0899 -21.6813 -173.724 28.3446 -19.4383 PRESSAVG: 641400 -75.1973 -2.47086 24.236 -2.47089 42.0466 -8.74154 24.236 -8.74162 58.1698 GPRESSAVG: 641400 -75.552 -3.09029 23.921 -3.24192 42.322 -9.81112 21.2208 -9.08665 58.6662 TIMING: 641400 CPU: 1863.12, 0.00288943/step Wall: 1863.12, 0.00288943/step, 3.49829 hours remaining, 204.210938 MB of memory in use. ENERGY: 641400 761.3919 2083.0438 1972.3211 108.0992 -206224.6950 17596.8482 0.0000 0.0000 34269.2925 -149433.6983 299.2823 -183702.9908 -149340.8428 299.1964 -106.3507 -68.0811 557191.4370 8.3397 8.4787 PRESSURE: 641600 -344.69 -25.2659 97.2233 -25.2659 87.7651 -32.8286 97.2241 -32.8281 -254.633 GPRESSURE: 641600 -291.361 80.8557 101.962 -97.0101 128.904 -127.773 139.096 -0.000822933 -216.394 PRESSAVG: 641600 -36.4478 -2.59828 27.2773 -2.59829 25.9843 -2.24872 27.2774 -2.24888 40.883 GPRESSAVG: 641600 -36.7498 0.258819 25.1399 -4.34097 25.6695 -3.16968 28.3263 -3.01989 41.2677 TIMING: 641600 CPU: 1863.7, 0.00289655/step Wall: 1863.7, 0.00289655/step, 3.50676 hours remaining, 204.210938 MB of memory in use. ENERGY: 641600 743.9695 2068.9710 1981.1588 109.6810 -205982.5461 17766.6909 0.0000 0.0000 34019.3934 -149292.6816 297.0998 -183312.0749 -149193.3066 299.0197 -170.5190 -126.2836 558891.2359 10.1398 10.0624 PRESSURE: 641800 -310.913 58.3968 -20.7192 58.3976 78.631 74.2712 -20.7196 74.2702 221.731 GPRESSURE: 641800 -304.892 -34.0112 124.518 122.231 86.3238 -19.4488 -61.4497 176.114 308.969 PRESSAVG: 641800 -130.46 -35.6174 29.0244 -35.6174 33.5265 2.54168 29.0245 2.54168 63.5298 GPRESSAVG: 641800 -129.287 -37.7021 31.9942 -34.2177 32.2351 3.69897 26.071 5.50293 63.2332 TIMING: 641800 CPU: 1864.28, 0.00289768/step Wall: 1864.28, 0.00289768/step, 3.50797 hours remaining, 204.210938 MB of memory in use. ENERGY: 641800 754.5849 2094.3191 1985.9558 105.3607 -205953.6496 17915.6953 0.0000 0.0000 34147.7657 -148949.9681 298.2209 -183097.7338 -148858.3830 300.0019 -3.5169 30.1335 557280.0496 -11.1344 -11.2730 PRESSURE: 642000 -282.968 -107.183 -121.791 -107.184 -63.1811 211.805 -121.789 211.805 -127.935 GPRESSURE: 642000 -294.101 -146.679 -134.088 -102.79 -32.4107 167.06 -125.404 203.844 -44.955 PRESSAVG: 642000 -70.5215 -5.67091 14.1187 -5.67098 24.9026 6.55486 14.1185 6.55485 26.7771 GPRESSAVG: 642000 -72.1259 -4.48571 15.7838 -5.4098 25.9754 6.03449 14.206 4.96979 26.9948 TIMING: 642000 CPU: 1864.86, 0.00288933/step Wall: 1864.86, 0.00288933/step, 3.49769 hours remaining, 204.210938 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: 642000 745.5811 2120.7488 1977.8827 112.5057 -205461.9148 17325.5750 0.0000 0.0000 34101.6069 -149078.0146 297.8178 -183179.6215 -148987.2052 299.6872 -158.0282 -123.8223 557213.2851 -6.2806 -6.3852 PRESSURE: 642200 -31.3747 -32.5146 -169.619 -32.5147 -75.6863 -179.018 -169.618 -179.018 -206.581 GPRESSURE: 642200 -17.5526 -0.888012 -94.5371 -6.72118 -63.235 -198.257 -170.615 -64.4531 -135.585 PRESSAVG: 642200 -36.5682 -2.4429 4.1408 -2.44284 98.4802 4.4351 4.14082 4.4351 -50.234 GPRESSAVG: 642200 -36.7399 -3.16682 2.52458 -2.43558 98.1933 5.48706 4.96574 3.29875 -50.0397 TIMING: 642200 CPU: 1865.44, 0.00289599/step Wall: 1865.44, 0.00289599/step, 3.50559 hours remaining, 204.210938 MB of memory in use. ENERGY: 642200 734.3533 2100.6409 1989.3405 124.0414 -205995.0454 17730.4484 0.0000 0.0000 34479.3748 -148836.8461 301.1170 -183316.2209 -148737.1154 300.0101 -104.5473 -72.1242 556891.5719 3.8927 3.8046 PRESSURE: 642400 23.2664 124.988 -8.68689 124.988 157.973 -32.6006 -8.68531 -32.6021 112.915 GPRESSURE: 642400 48.2422 74.3712 46.7517 162.344 257.639 -15.2863 -50.3024 -73.5433 75.6108 PRESSAVG: 642400 -27.9312 2.35684 18.2302 2.3569 36.0984 -5.52134 18.2302 -5.52142 -44.1371 GPRESSAVG: 642400 -27.1875 1.47548 17.1604 1.9829 36.557 -7.27294 18.5762 -3.75862 -45.4998 TIMING: 642400 CPU: 1866.02, 0.00291605/step Wall: 1866.02, 0.00291605/step, 3.52971 hours remaining, 204.210938 MB of memory in use. ENERGY: 642400 739.2446 2164.7330 1978.9392 111.9771 -205886.5461 17814.5708 0.0000 0.0000 34230.0557 -148847.0257 298.9396 -183077.0814 -148758.5778 299.8933 98.0518 127.1640 557440.4986 -11.9900 -12.0434 PRESSURE: 642600 -67.5851 -131.286 -52.4446 -131.286 -73.7067 54.8304 -52.4437 54.8297 -101.471 GPRESSURE: 642600 -48.3588 -100.049 -53.3443 -144.258 -1.8136 -17.3033 -44.2463 9.11089 -72.1893 PRESSAVG: 642600 -134.87 32.8214 -4.01927 32.8214 77.5379 9.35922 -4.01931 9.35918 -10.6502 GPRESSAVG: 642600 -135.307 32.0105 -2.4831 33.7916 77.2331 10.5346 -5.60313 8.29211 -9.82743 TIMING: 642600 CPU: 1866.6, 0.002905/step Wall: 1866.6, 0.00290499/step, 3.51617 hours remaining, 204.210938 MB of memory in use. ENERGY: 642600 758.9328 2056.8192 1957.9861 114.2602 -205882.4366 17500.8912 0.0000 0.0000 34540.0366 -148953.5106 301.6467 -183493.5472 -148856.8917 299.6026 -80.9208 -40.7872 557335.9118 -22.6607 -22.6337 PRESSURE: 642800 -115.049 -16.8981 27.4986 -16.8982 43.8295 103.175 27.4988 103.177 -48.6663 GPRESSURE: 642800 -68.8935 -41.935 37.6663 -38.5046 34.5438 151.059 31.0296 62.5299 16.0125 PRESSAVG: 642800 -16.8581 0.956772 -33.1148 0.956808 58.6638 -40.7068 -33.1148 -40.7067 -42.6231 GPRESSAVG: 642800 -15.9182 2.08918 -34.3097 0.612237 57.1132 -40.3432 -32.3231 -39.7215 -42.1871 TIMING: 642800 CPU: 1867.18, 0.00289908/step Wall: 1867.18, 0.00289908/step, 3.50885 hours remaining, 204.210938 MB of memory in use. ENERGY: 642800 755.3375 2097.9197 1994.8122 103.7101 -205904.9253 17771.1660 0.0000 0.0000 34326.4371 -148855.5427 299.7813 -183181.9798 -148769.1981 299.4405 -39.9619 -6.1124 558735.3937 -0.2725 -0.3307 PRESSURE: 643000 -27.9292 127.175 -14.2948 127.175 53.4591 -220.729 -14.2944 -220.729 -229.468 GPRESSURE: 643000 42.2072 140.135 -9.00288 124.118 69.8204 -215.081 -79.2722 -186.979 -220.444 PRESSAVG: 643000 -32.8315 -12.0058 -41.3698 -12.0057 44.6608 -8.39664 -41.3697 -8.39666 -9.15852 GPRESSAVG: 643000 -34.8625 -12.1585 -42.4574 -11.8531 46.6986 -7.5134 -42.2495 -9.85483 -9.13872 TIMING: 643000 CPU: 1867.76, 0.00289494/step Wall: 1867.76, 0.00289494/step, 3.50368 hours remaining, 204.210938 MB of memory in use. ENERGY: 643000 792.0799 2048.8355 1986.9028 119.9215 -206245.1619 18018.7409 0.0000 0.0000 34370.6662 -148908.0151 300.1676 -183278.6813 -148810.5415 300.1640 -67.9792 -36.1388 559067.5216 0.8903 0.8991 PRESSURE: 643200 31.4521 53.9298 89.6256 53.9293 -42.9335 -57.402 89.6245 -57.4011 -72.7321 GPRESSURE: 643200 32.7431 27.0038 56.298 2.51383 -43.6286 -7.22249 99.7295 -118.009 24.576 PRESSAVG: 643200 -42.1126 1.12352 21.8646 1.12354 36.6937 2.4023 21.8646 2.40241 -24.6192 GPRESSAVG: 643200 -40.7416 1.93902 21.7315 0.0656002 36.0936 1.02192 23.1652 2.38271 -24.8968 TIMING: 643200 CPU: 1868.34, 0.00290167/step Wall: 1868.34, 0.00290167/step, 3.51166 hours remaining, 204.210938 MB of memory in use. ENERGY: 643200 743.5423 2083.5831 1973.7015 125.4265 -206045.1890 17777.0573 0.0000 0.0000 34472.2641 -148869.6141 301.0549 -183341.8783 -148773.0328 300.4011 -28.0712 4.5635 558664.1675 -10.0127 -9.8483 PRESSURE: 643400 120.102 -60.0165 -72.0944 -60.0177 -53.1046 46.8214 -72.0941 46.8214 2.98993 GPRESSURE: 643400 180.531 -117.888 -183.535 -25.5347 15.1168 88.9829 -38.7376 -16.1004 -36.4833 PRESSAVG: 643400 28.0311 -41.8214 44.2922 -41.8214 34.9753 -50.1105 44.2922 -50.1104 1.55512 GPRESSAVG: 643400 29.1445 -41.9044 47.0793 -40.4134 35.2668 -50.2301 44.584 -50.2759 0.148766 TIMING: 643400 CPU: 1868.92, 0.00290487/step Wall: 1868.92, 0.00290487/step, 3.51537 hours remaining, 204.210938 MB of memory in use. ENERGY: 643400 762.8508 2087.9516 1969.1597 105.6650 -205725.5270 17832.2420 0.0000 0.0000 34141.8009 -148825.8570 298.1688 -182967.6579 -148739.7348 300.1904 23.3292 53.0550 558902.0669 21.5205 21.5200 PRESSURE: 643600 -26.6223 -34.6884 -50.2109 -34.6901 -91.2357 -26.354 -50.2113 -26.3556 -30.1414 GPRESSURE: 643600 -40.2749 -109.079 -69.7712 -23.0214 -23.6097 -58.0792 -41.2829 9.95759 6.13836 PRESSAVG: 643600 -7.03714 5.85657 -37.6005 5.85659 -12.7497 -32.7566 -37.6004 -32.7569 -24.6015 GPRESSAVG: 643600 -9.08072 5.58582 -40.5893 5.90453 -12.5164 -32.8637 -37.5436 -32.8931 -23.0255 TIMING: 643600 CPU: 1869.5, 0.00290081/step Wall: 1869.5, 0.00290081/step, 3.5103 hours remaining, 204.210938 MB of memory in use. ENERGY: 643600 736.4902 2117.8614 1971.9861 113.4088 -205556.6301 17602.3388 0.0000 0.0000 34199.0801 -148815.4646 298.6691 -183014.5448 -148724.6130 299.9178 -49.3331 -19.2488 559277.7893 -14.7961 -14.8742 PRESSURE: 643800 -231.105 -91.4136 55.5065 -91.4136 -115.845 -135.937 55.5076 -135.936 -285.94 GPRESSURE: 643800 -137.079 -185.235 67.0481 46.8872 -105.338 -162.46 -4.43182 -139.505 -298.855 PRESSAVG: 643800 36.758 5.77826 7.80296 5.77821 -57.8835 -14.2381 7.80292 -14.2381 30.708 GPRESSAVG: 643800 38.3504 5.44483 8.67351 5.53848 -58.4997 -12.6158 7.46849 -15.0249 29.169 TIMING: 643800 CPU: 1870.08, 0.00288921/step Wall: 1870.08, 0.00288921/step, 3.49611 hours remaining, 204.210938 MB of memory in use. ENERGY: 643800 742.5030 2068.4160 1977.5706 103.4354 -205397.3945 17464.8524 0.0000 0.0000 34145.7981 -148894.8191 298.2037 -183040.6172 -148799.2453 299.9184 -210.9633 -180.4243 559645.8692 3.1942 3.0066 PRESSURE: 644000 156.308 107.736 114.368 107.736 61.515 35.6968 114.369 35.6949 370.962 GPRESSURE: 644000 205.43 121.417 122.028 124.311 89.3909 38.3674 153.79 32.9905 397.921 PRESSAVG: 644000 -71.9357 3.24695 38.7179 3.24697 46.5921 -14.8491 38.7179 -14.8492 32.3783 GPRESSAVG: 644000 -72.5306 3.96126 39.3626 3.95196 47.0627 -16.9033 36.9044 -13.9822 32.4841 TIMING: 644000 CPU: 1870.66, 0.00290582/step Wall: 1870.66, 0.00290582/step, 3.51605 hours remaining, 204.210938 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: 644000 730.8726 2052.3820 2002.5857 98.7654 -205758.7596 17678.7172 0.0000 0.0000 34256.2301 -148939.2066 299.1682 -183195.4367 -148845.7521 299.3896 196.2616 230.9141 555443.4853 2.3449 2.3387 PRESSURE: 644200 84.4181 6.68195 -36.1962 6.68195 -3.09143 -11.6081 -36.1956 -11.6083 146.075 GPRESSURE: 644200 107.112 10.8641 -64.7831 -26.168 22.112 -7.44443 -29.6797 28.789 194.665 PRESSAVG: 644200 16.3913 -26.1098 -6.17329 -26.1098 -10.3097 -27.8141 -6.17336 -27.8142 23.5452 GPRESSAVG: 644200 16.7314 -27.681 -7.32353 -27.3534 -11.7717 -28.2049 -4.39044 -27.8569 23.9838 TIMING: 644200 CPU: 1871.24, 0.00291689/step Wall: 1871.24, 0.00291689/step, 3.52928 hours remaining, 204.210938 MB of memory in use. ENERGY: 644200 743.2737 2112.3796 1964.0496 117.5941 -205785.0726 17802.3577 0.0000 0.0000 34169.9793 -148875.4387 298.4149 -183045.4179 -148780.0070 299.2306 75.8006 107.9629 558350.8860 9.8756 9.6478 LDB: ============= START OF LOAD BALANCING ============== 1874.71 LDB: ============== END OF LOAD BALANCING =============== 1874.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1874.71 LDB: ============= START OF LOAD BALANCING ============== 1875 LDB: Largest compute 4855 load 0.028191 is 24.0% of average load 0.117548 LDB: Average compute 0.001741 is 1.5% of average load 0.117548 LDB: TIME 1875 LOAD: AVG 0.117548 MAX 0.179107 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 1875 LOAD: AVG 0.117548 MAX 0.179107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: TIME 1875 LOAD: AVG 0.117548 MAX 0.179107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1875 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1875.01 PRESSURE: 644400 42.2513 -113.987 -31.0376 -113.986 12.0225 -135.434 -31.0372 -135.436 47.4 GPRESSURE: 644400 89.1406 -25.0871 -2.25107 -134.213 2.12366 12.3827 -46.7133 -125.197 112.603 PRESSAVG: 644400 -20.9513 7.54715 -28.9636 7.54718 17.073 -40.6936 -28.9637 -40.6936 10.9049 GPRESSAVG: 644400 -20.8526 9.96844 -28.0401 8.08639 18.136 -38.2448 -29.346 -40.5456 9.85363 TIMING: 644400 CPU: 1871.83, 0.00294283/step Wall: 1871.83, 0.00294283/step, 3.5605 hours remaining, 205.281250 MB of memory in use. ENERGY: 644400 746.7462 2108.8235 1997.1876 108.9765 -205733.9091 17707.0195 0.0000 0.0000 34210.1418 -148855.0139 298.7657 -183065.1558 -148757.0399 299.4953 33.8913 67.9556 559352.1613 2.3422 2.3790 PRESSURE: 644600 -300.837 -60.5283 75.8607 -60.5287 57.6135 -39.8321 75.8611 -39.8332 -128.642 GPRESSURE: 644600 -276.165 -28.9204 20.7223 -45.2205 62.67 -156.719 37.7227 29.8572 -64.3019 PRESSAVG: 644600 -49.2293 -39.3952 60.9308 -39.3953 22.1959 -87.2267 60.9308 -87.2266 49.3299 GPRESSAVG: 644600 -49.6994 -40.1717 58.9791 -37.9287 21.9119 -87.9112 62.0663 -86.1458 50.2318 TIMING: 644600 CPU: 1872.42, 0.00291864/step Wall: 1872.42, 0.00291864/step, 3.53106 hours remaining, 205.480469 MB of memory in use. ENERGY: 644600 758.8826 2118.6175 1987.9377 119.7197 -205975.1654 17771.4227 0.0000 0.0000 34310.2014 -148908.3838 299.6395 -183218.5852 -148814.5726 299.9261 -123.9551 -92.5989 557627.1394 7.4321 7.4814 PRESSURE: 644800 -11.3459 134.367 -79.4502 134.366 -129.689 -185.344 -79.4496 -185.346 58.913 GPRESSURE: 644800 3.92907 169.912 -32.0902 160.98 -91.2063 -244.453 -84.7325 -83.9285 108.102 PRESSAVG: 644800 -7.58111 17.097 56.3383 17.097 -40.2687 33.5864 56.3383 33.5864 1.29547 GPRESSAVG: 644800 -6.64747 18.3253 58.2832 15.7624 -40.4428 32.1955 53.6889 32.8788 0.459782 TIMING: 644800 CPU: 1873, 0.00289893/step Wall: 1873, 0.00289893/step, 3.50706 hours remaining, 205.480469 MB of memory in use. ENERGY: 644800 732.0081 2052.6828 1982.6182 112.9224 -206032.1445 17829.8898 0.0000 0.0000 34391.4449 -148930.5784 300.3490 -183322.0233 -148831.8544 299.9256 -27.3738 6.9416 559879.6964 -15.5181 -15.5435 PRESSURE: 645000 14.4985 83.7343 94.4551 83.7342 -167.499 41.4559 94.4561 41.4565 90.1069 GPRESSURE: 645000 -0.121523 1.13816 110.903 101.06 -80.7826 -57.059 79.6492 117.424 106.433 PRESSAVG: 645000 -38.2156 25.669 16.1679 25.669 -13.46 -3.13386 16.1679 -3.13374 29.9341 GPRESSAVG: 645000 -39.1236 22.6131 16.285 26.7992 -12.8795 -2.2562 17.983 -2.64408 30.1965 TIMING: 645000 CPU: 1873.57, 0.00288661/step Wall: 1873.57, 0.00288661/step, 3.49199 hours remaining, 205.558594 MB of memory in use. ENERGY: 645000 746.3148 2031.2096 1977.2742 117.5393 -205860.9676 17754.4692 0.0000 0.0000 34326.4165 -148907.7439 299.7811 -183234.1604 -148817.5316 300.4043 -20.9646 8.5096 556254.8122 -7.2471 -7.2688 PRESSURE: 645200 128.023 49.1747 -6.40043 49.1744 14.6623 -80.8937 -6.40035 -80.8951 -322.799 GPRESSURE: 645200 186.227 50.7679 -17.3604 16.3386 7.58344 -50.4573 -13.7851 -150.563 -277.203 PRESSAVG: 645200 26.0357 17.5712 1.78156 17.5711 -91.9619 -32.9413 1.78159 -32.9414 29.2828 GPRESSAVG: 645200 26.1366 19.4392 1.06369 15.9183 -92.0165 -33.7247 1.32117 -33.2628 28.9998 TIMING: 645200 CPU: 1874.16, 0.00292156/step Wall: 1874.16, 0.00292156/step, 3.53411 hours remaining, 205.558594 MB of memory in use. ENERGY: 645200 741.8830 2027.1527 2001.8047 113.4614 -205556.7357 17641.4201 0.0000 0.0000 34186.3498 -148844.6640 298.5579 -183031.0138 -148751.8145 300.4424 -60.0378 -27.7974 558375.3519 -12.2144 -12.2934 PRESSURE: 645400 -178.967 -64.9736 12.7749 -64.973 238.346 140.64 12.7741 140.639 -152.119 GPRESSURE: 645400 -138.567 -32.6943 59.0241 -77.5132 267.424 31.4025 46.8514 178.176 -122.406 PRESSAVG: 645400 -22.6744 12.2095 84.9086 12.2095 38.9684 -62.335 84.9086 -62.3351 -10.9839 GPRESSAVG: 645400 -22.1284 12.5982 84.8624 14.172 38.7288 -61.3778 84.8644 -62.9289 -10.6286 TIMING: 645400 CPU: 1874.75, 0.00294062/step Wall: 1874.75, 0.00294062/step, 3.55701 hours remaining, 205.558594 MB of memory in use. ENERGY: 645400 715.4318 2049.8885 1984.9845 103.0445 -206027.2983 17737.0054 0.0000 0.0000 34315.6231 -149121.3206 299.6869 -183436.9437 -149025.9084 299.9212 -30.9132 2.1502 558279.0374 1.7700 1.9906 PRESSURE: 645600 8.32925 100.845 85.7259 100.845 -51.8989 -2.52633 85.725 -2.52431 57.3459 GPRESSURE: 645600 32.5481 147.432 73.7031 141.694 19.2481 5.71127 -3.87706 32.4694 76.4088 PRESSAVG: 645600 11.9837 -7.66411 -26.4484 -7.66409 31.2937 -0.253666 -26.4485 -0.25378 10.2037 GPRESSAVG: 645600 11.7785 -6.40345 -28.0612 -10.3417 30.5683 0.148615 -25.176 2.24902 10.7728 TIMING: 645600 CPU: 1875.33, 0.00293156/step Wall: 1875.33, 0.00293156/step, 3.54588 hours remaining, 205.558594 MB of memory in use. ENERGY: 645600 743.8152 2057.8318 1964.3430 128.3874 -206461.9319 17869.0036 0.0000 0.0000 34363.7779 -149334.7730 300.1074 -183698.5509 -149236.8260 299.2894 4.5921 42.7350 556837.7028 17.8270 17.7065 PRESSURE: 645800 108.485 -4.7534 5.75595 -4.75404 -61.3674 -16.6103 5.75622 -16.6107 -58.9465 GPRESSURE: 645800 173.218 -24.815 -3.31014 67.481 -54.3027 38.4715 39.7394 -108.24 -30.2903 PRESSAVG: 645800 -17.2804 14.5484 -21.8621 14.5484 7.9322 49.6751 -21.8621 49.6751 -5.44217 GPRESSAVG: 645800 -17.348 13.2754 -21.9008 16.3792 8.30277 50.5459 -22.4017 46.3409 -6.08023 TIMING: 645800 CPU: 1875.91, 0.00290673/step Wall: 1875.91, 0.00290673/step, 3.51569 hours remaining, 205.558594 MB of memory in use. ENERGY: 645800 740.8566 2093.7304 1991.2141 115.6780 -206077.4488 17699.2616 0.0000 0.0000 34056.1316 -149380.5766 297.4207 -183436.7082 -149284.2308 299.1310 -3.9429 29.5416 557524.0830 -4.9301 -5.0418 PRESSURE: 646000 66.6018 -78.8208 104.75 -78.8218 218.834 208.328 104.75 208.327 15.3662 GPRESSURE: 646000 84.792 -67.2468 99.9254 -71.6695 256.003 189.904 78.5112 236.414 56.1065 PRESSAVG: 646000 -27.2846 -4.793 -24.8617 -4.79291 32.1995 45.0377 -24.8616 45.0377 -18.3633 GPRESSAVG: 646000 -27.0344 -4.96486 -22.9256 -4.37392 31.0352 43.6671 -26.0236 44.2096 -18.0927 TIMING: 646000 CPU: 1876.5, 0.00290625/step Wall: 1876.5, 0.00290625/step, 3.51494 hours remaining, 205.558594 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: 646000 741.4575 2094.6755 1993.0218 115.1518 -206485.5865 18032.4166 0.0000 0.0000 34227.7814 -149281.0818 298.9197 -183508.8633 -149186.4151 299.4215 100.2673 132.3005 556916.7151 -4.4828 -4.6973 PRESSURE: 646200 60.7186 -24.5053 257.437 -24.5055 -294.903 -126.305 257.436 -126.304 -251.939 GPRESSURE: 646200 121.681 -19.0944 242.079 -82.6048 -294.552 -99.933 226.068 -145.756 -220.507 PRESSAVG: 646200 34.0007 -36.7485 -35.3685 -36.7484 -4.08415 -14.7739 -35.3685 -14.7739 -74.316 GPRESSAVG: 646200 33.8998 -38.8651 -36.9195 -36.6133 -3.77046 -17.1617 -34.2772 -12.2906 -74.7139 TIMING: 646200 CPU: 1877.08, 0.00290074/step Wall: 1877.08, 0.00290074/step, 3.50812 hours remaining, 205.558594 MB of memory in use. ENERGY: 646200 727.9322 2083.8382 2000.1092 117.9653 -205978.1537 17513.0009 0.0000 0.0000 34223.8628 -149311.4451 298.8855 -183535.3079 -149219.5801 299.5726 -162.0415 -131.1261 556521.0848 -14.7998 -14.8615 PRESSURE: 646400 -1.51675 70.2187 -47.8045 70.2183 -177.025 27.72 -47.8049 27.7203 -156.975 GPRESSURE: 646400 36.1116 -34.6261 -75.3126 124.888 -149.426 38.7061 -17.1814 159.052 -122.409 PRESSAVG: 646400 55.1308 -69.2737 -31.4563 -69.2737 12.7965 16.2806 -31.4562 16.2806 -21.4583 GPRESSAVG: 646400 54.4727 -67.173 -29.3385 -71.5408 13.5948 17.0497 -33.3293 16.1108 -21.7068 TIMING: 646400 CPU: 1877.66, 0.00290212/step Wall: 1877.66, 0.00290212/step, 3.50963 hours remaining, 205.558594 MB of memory in use. ENERGY: 646400 736.5116 2093.1078 1980.3339 118.5531 -206263.1728 17713.4690 0.0000 0.0000 34268.5322 -149352.6652 299.2756 -183621.1974 -149255.5330 299.6312 -111.8389 -78.5744 557106.4989 15.4897 15.4536 PRESSURE: 646600 -313.608 102.585 31.3238 102.584 -57.1126 7.40733 31.3243 7.40535 -17.0979 GPRESSURE: 646600 -294.863 103.254 60.1681 149.279 -23.4165 61.4142 -14.467 46.1746 25.8438 PRESSAVG: 646600 -103.046 14.1549 -48.1837 14.155 59.2894 -0.482938 -48.1837 -0.482913 14.5623 GPRESSAVG: 646600 -103.258 14.2297 -48.7722 15.1349 59.565 1.37854 -47.185 -0.528878 14.4728 TIMING: 646600 CPU: 1878.24, 0.00291932/step Wall: 1878.24, 0.00291932/step, 3.53027 hours remaining, 205.558594 MB of memory in use. ENERGY: 646600 746.6719 2089.8921 1992.5411 109.7255 -206486.3063 17908.2312 0.0000 0.0000 34337.0132 -149302.2313 299.8737 -183639.2444 -149206.4892 298.8926 -129.2730 -97.4786 558380.6385 -9.7316 -9.7402 PRESSURE: 646800 -7.40856 74.8599 53.5016 74.8601 -131.375 20.2697 53.5011 20.2698 -85.9435 GPRESSURE: 646800 25.9162 132.215 32.3736 0.0242011 -122.09 75.8019 100.455 -49.7387 -20.7638 PRESSAVG: 646800 -96.6291 41.9195 -117.356 41.9196 28.0482 32.2531 -117.356 32.2532 50.8763 GPRESSAVG: 646800 -96.2587 44.0547 -116.805 41.522 27.3151 31.6214 -117.195 31.7316 51.3776 TIMING: 646800 CPU: 1878.82, 0.00290934/step Wall: 1878.82, 0.00290934/step, 3.51804 hours remaining, 205.558594 MB of memory in use. ENERGY: 646800 771.8852 2056.2041 2008.7920 108.2175 -206209.8239 17747.0014 0.0000 0.0000 34240.6759 -149277.0479 299.0323 -183517.7238 -149172.0021 298.9262 -74.9091 -38.9793 557267.1804 -5.9015 -5.8553 PRESSURE: 647000 -290.584 72.7336 -102.026 72.7326 -53.4385 49.3926 -102.026 49.3933 -18.2116 GPRESSURE: 647000 -288.095 48.9903 -10.3955 82.5077 -17.4325 1.325 -93.4961 17.9353 46.9218 PRESSAVG: 647000 -10.321 21.3635 -29.3348 21.3634 5.48581 17.9709 -29.3349 17.9709 -32.5691 GPRESSAVG: 647000 -10.1781 18.0191 -31.3166 22.8869 6.04353 16.8117 -28.8828 17.0294 -32.7814 TIMING: 647000 CPU: 1879.4, 0.00289156/step Wall: 1879.4, 0.00289156/step, 3.49638 hours remaining, 205.558594 MB of memory in use. ENERGY: 647000 741.4373 2054.7410 1984.8312 114.4526 -206127.7825 17588.7620 0.0000 0.0000 34416.8676 -149226.6909 300.5711 -183643.5585 -149129.2965 298.6136 -120.7448 -86.2019 556915.5942 -12.4681 -12.3053 PRESSURE: 647200 -142.713 96.0409 25.3483 96.0412 -89.9178 287.797 25.3484 287.797 -342.724 GPRESSURE: 647200 -134.52 142.397 1.30009 85.3615 -58.0957 324.597 31.8395 217.875 -276.665 PRESSAVG: 647200 87.2753 41.4331 -19.6618 41.4332 31.3294 3.47883 -19.6618 3.47881 -32.0548 GPRESSAVG: 647200 86.2925 43.0566 -18.6604 39.7496 31.7971 4.37133 -20.0821 3.7331 -31.843 TIMING: 647200 CPU: 1879.98, 0.00292064/step Wall: 1879.98, 0.00292064/step, 3.53138 hours remaining, 205.558594 MB of memory in use. ENERGY: 647200 757.5638 2077.2618 1968.8540 108.3689 -206000.0626 17700.5978 0.0000 0.0000 34117.4667 -149269.9498 297.9563 -183387.4164 -149176.8225 299.4908 -191.7851 -156.4271 558209.7333 28.8500 28.7488 PRESSURE: 647400 -106.048 63.2069 23.1569 63.2069 19.8791 11.4217 23.158 11.4225 24.9198 GPRESSURE: 647400 -57.4566 143.063 -8.81155 60.1985 15.9069 54.169 41.3476 42.6178 66.2768 PRESSAVG: 647400 -37.3263 23.1338 49.8574 23.1338 35.6371 15.0648 49.8575 15.0647 -1.46268 GPRESSAVG: 647400 -36.0914 24.2527 49.5784 23.5787 34.9773 14.6194 50.3717 14.6525 -2.23532 TIMING: 647400 CPU: 1880.57, 0.00290812/step Wall: 1880.57, 0.00290812/step, 3.51608 hours remaining, 205.558594 MB of memory in use. ENERGY: 647400 782.8591 2058.8275 1968.9742 120.9725 -206146.7412 17826.0323 0.0000 0.0000 34190.4538 -149198.6218 298.5937 -183389.0756 -149100.9783 298.9786 -20.4164 8.2424 558402.7075 -1.0506 -1.1165 PRESSURE: 647600 -178.796 147.221 72.6059 147.222 -582.981 45.9742 72.6074 45.9753 -184.234 GPRESSURE: 647600 -186.085 127.8 115.331 209.651 -538.715 85.4868 71.0518 35.4712 -145.16 PRESSAVG: 647600 -29.3717 38.8559 -16.642 38.8559 -5.16534 33.6303 -16.642 33.6302 1.91353 GPRESSAVG: 647600 -30.0413 36.1824 -18.7882 40.2871 -5.9774 32.7367 -16.092 34.6289 3.05682 TIMING: 647600 CPU: 1881.15, 0.00293196/step Wall: 1881.15, 0.00293196/step, 3.54473 hours remaining, 205.558594 MB of memory in use. ENERGY: 647600 758.2333 2084.0184 1953.7772 104.1287 -205698.2517 17351.5641 0.0000 0.0000 34302.4288 -149144.1011 299.5716 -183446.5300 -149047.7388 298.9749 -315.3367 -289.9867 558569.3614 -10.8745 -10.9873 PRESSURE: 647800 164.157 69.359 105.505 69.3593 -129.804 -26.7237 105.505 -26.7233 -162.509 GPRESSURE: 647800 179.608 49.0433 81.5703 64.2304 -88.5059 -96.84 78.1232 -8.5438 -118.071 PRESSAVG: 647800 56.8359 22.1034 11.7722 22.1035 -66.2536 57.6031 11.7724 57.6031 -4.219 GPRESSAVG: 647800 57.5527 23.3138 14.2142 20.7668 -64.1868 57.5524 11.8911 59.113 -6.53391 TIMING: 647800 CPU: 1881.74, 0.00292953/step Wall: 1881.74, 0.00292953/step, 3.54164 hours remaining, 205.558594 MB of memory in use. ENERGY: 647800 741.5041 2113.2082 1967.8946 115.1109 -206206.8134 17695.3357 0.0000 0.0000 34489.2205 -149084.5393 301.2029 -183573.7598 -148996.0209 299.6143 -42.7187 -8.9897 556865.0782 -4.5456 -4.3893 PRESSURE: 648000 235.527 -28.8829 14.295 -28.8829 90.9874 -96.4777 14.2951 -96.4779 -16.8553 GPRESSURE: 648000 251.208 -66.0043 18.2172 32.9033 142.769 -53.8656 81.3853 -123.215 16.3431 PRESSAVG: 648000 60.4244 54.4576 20.1153 54.4576 -11.8274 -15.5778 20.1153 -15.5778 -58.0617 GPRESSAVG: 648000 58.9747 55.0652 18.9418 54.1943 -12.2212 -15.03 20.791 -17.825 -56.4368 TIMING: 648000 CPU: 1882.32, 0.00290414/step Wall: 1882.32, 0.00290414/step, 3.51078 hours remaining, 205.558594 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: 648000 750.1018 2133.6545 1961.6940 116.1557 -206266.5221 17904.3813 0.0000 0.0000 34245.8916 -149154.6432 299.0779 -183400.5348 -149060.5879 299.3323 103.2198 136.7733 557415.3070 -3.1549 -3.2278 PRESSURE: 648200 -20.0851 -105.189 -122.607 -105.19 13.3601 124.973 -122.606 124.974 143.617 GPRESSURE: 648200 -15.3607 -83.2493 -83.3857 -91.2915 68.0865 140.056 -182.87 65.1645 168.349 PRESSAVG: 648200 99.0871 18.5234 -53.9587 18.5234 -25.0341 -32.3041 -53.9587 -32.3041 -88.3867 GPRESSAVG: 648200 101.548 18.8114 -52.7729 18.6138 -25.8026 -31.6978 -53.8475 -33.5119 -89.9415 TIMING: 648200 CPU: 1882.9, 0.00291817/step Wall: 1882.9, 0.00291817/step, 3.52758 hours remaining, 205.558594 MB of memory in use. ENERGY: 648200 775.0631 2082.9867 1995.9798 116.1593 -206331.5752 17963.8868 0.0000 0.0000 34261.0414 -149136.4580 299.2102 -183397.4994 -149041.7707 299.0821 45.6308 73.6915 557215.6987 -4.7779 -4.7319 LDB: ============= START OF LOAD BALANCING ============== 1886.37 LDB: ============== END OF LOAD BALANCING =============== 1886.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1886.37 LDB: ============= START OF LOAD BALANCING ============== 1886.67 LDB: Largest compute 4827 load 0.028321 is 24.1% of average load 0.117538 LDB: Average compute 0.001740 is 1.5% of average load 0.117538 LDB: TIME 1886.67 LOAD: AVG 0.117538 MAX 0.178862 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.195 MB LDB: TIME 1886.67 LOAD: AVG 0.117538 MAX 0.178862 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.199 MB LDB: TIME 1886.67 LOAD: AVG 0.117538 MAX 0.178862 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.199 MB LDB: ============== END OF LOAD BALANCING =============== 1886.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1886.67 PRESSURE: 648400 -108.05 33.9753 -1.61504 33.9752 -7.85742 -130.91 -1.61469 -130.909 -315.276 GPRESSURE: 648400 -113.41 8.08086 26.2262 -6.12357 65.5563 -209.209 7.61912 -26.3329 -282.656 PRESSAVG: 648400 45.1345 0.175851 2.38634 0.17594 -80.4664 -3.18478 2.38634 -3.18489 -19.6935 GPRESSAVG: 648400 45.8761 -0.969774 0.816032 -0.957842 -81.2634 -2.99607 3.25195 -3.16394 -19.2023 TIMING: 648400 CPU: 1883.5, 0.00298655/step Wall: 1883.5, 0.00298655/step, 3.61007 hours remaining, 203.937500 MB of memory in use. ENERGY: 648400 746.9406 2100.1100 1988.9248 127.4378 -205970.9635 17545.5223 0.0000 0.0000 34246.0865 -149215.9415 299.0796 -183462.0280 -149114.0391 299.3643 -143.7278 -110.1700 557191.6200 -18.3418 -18.1965 PRESSURE: 648600 51.9061 10.0439 -179.416 10.044 -197.402 104.066 -179.416 104.067 171.633 GPRESSURE: 648600 64.6891 -47.3344 -133.996 119.121 -193.765 30.902 -152.428 101.785 262.281 PRESSAVG: 648600 57.1425 -45.8056 6.62293 -45.8056 -27.7552 3.65589 6.6229 3.65584 -33.2777 GPRESSAVG: 648600 55.08 -46.4779 6.32895 -44.357 -27.2416 2.74873 4.41757 5.07912 -32.0507 TIMING: 648600 CPU: 1884.08, 0.00292272/step Wall: 1884.08, 0.00292272/step, 3.53275 hours remaining, 203.937500 MB of memory in use. ENERGY: 648600 730.2608 2056.4724 2004.0300 108.5740 -206061.4642 17652.3922 0.0000 0.0000 34401.0017 -149108.7333 300.4325 -183509.7350 -149001.3056 299.2689 8.7125 44.4017 554938.6504 -1.2968 -1.4041 PRESSURE: 648800 98.1297 19.201 191.811 19.1997 29.0433 40.4639 191.809 40.4637 -3.46584 GPRESSURE: 648800 72.7646 -8.41223 182.315 15.2788 65.2574 47.1284 73.1285 41.201 81.2854 PRESSAVG: 648800 68.4556 25.9318 2.23657 25.9318 -39.091 -11.8708 2.23648 -11.8708 -7.50397 GPRESSAVG: 648800 68.1289 28.1926 1.12173 25.403 -39.0452 -12.4451 4.67659 -9.15956 -7.45697 TIMING: 648800 CPU: 1884.67, 0.00293457/step Wall: 1884.67, 0.00293457/step, 3.54692 hours remaining, 203.937500 MB of memory in use. ENERGY: 648800 743.7642 2073.0408 1982.4964 113.7772 -206004.5199 17729.6180 0.0000 0.0000 34216.6867 -149145.1365 298.8228 -183361.8232 -149052.6537 299.4311 41.2357 73.1025 554145.7645 7.2869 7.2089 PRESSURE: 649000 -42.5101 -18.1958 56.1565 -18.1958 87.0854 18.7385 56.1568 18.7384 174.246 GPRESSURE: 649000 -34.2696 -191.066 50.2736 66.9325 128.299 24.1808 -61.4208 26.1298 216.098 PRESSAVG: 649000 64.3581 2.64068 0.514035 2.64062 -82.5485 13.2986 0.514042 13.2985 31.8126 GPRESSAVG: 649000 63.8342 0.832542 1.95214 3.76654 -82.1055 13.9623 -0.918285 11.7643 31.3897 TIMING: 649000 CPU: 1885.25, 0.00289883/step Wall: 1885.25, 0.00289883/step, 3.50356 hours remaining, 203.937500 MB of memory in use. ENERGY: 649000 741.4270 2095.2469 1993.0814 113.6175 -205762.4720 17745.0378 0.0000 0.0000 34102.3779 -148971.6836 297.8245 -183074.0614 -148880.2156 299.5436 72.9403 103.3758 556174.5376 4.5407 4.3728 PRESSURE: 649200 -13.1932 -80.9662 221.869 -80.9661 -42.7175 -103.623 221.869 -103.623 -43.9307 GPRESSURE: 649200 -43.2447 -23.715 202.373 -87.0561 32.8912 -81.5485 229.506 -94.8532 8.09791 PRESSAVG: 649200 42.8803 -39.2482 52.1299 -39.2482 -38.253 -11.117 52.1298 -11.1171 -35.4932 GPRESSAVG: 649200 42.9411 -40.678 52.9241 -40.0093 -39.1385 -11.332 53.399 -9.35774 -35.1549 TIMING: 649200 CPU: 1885.83, 0.0029116/step Wall: 1885.83, 0.0029116/step, 3.51884 hours remaining, 203.937500 MB of memory in use. ENERGY: 649200 722.7451 2052.4416 1971.1002 103.3535 -205494.4798 17501.6947 0.0000 0.0000 34192.2010 -148950.9438 298.6090 -183143.1447 -148853.8459 299.7009 -33.2805 -0.7519 557927.5158 -10.2887 -10.4507 PRESSURE: 649400 66.5388 -74.5813 -129.533 -74.5822 -51.2782 -38.5565 -129.533 -38.5558 149.98 GPRESSURE: 649400 80.3484 -104.649 -116.534 -39.4483 -48.8109 -89.8366 -126.359 39.9541 226.146 PRESSAVG: 649400 -40.0444 -28.3066 27.9471 -28.3067 -13.5281 9.04825 27.9472 9.04831 48.4443 GPRESSAVG: 649400 -41.357 -25.0767 27.9244 -29.0885 -12.7578 9.82365 27.0153 8.16515 49.0684 TIMING: 649400 CPU: 1886.42, 0.00294479/step Wall: 1886.42, 0.00294479/step, 3.55877 hours remaining, 203.937500 MB of memory in use. ENERGY: 649400 746.1835 2089.9380 1991.6106 124.8216 -205930.9145 17761.2869 0.0000 0.0000 34181.2328 -149035.8412 298.5132 -183217.0739 -148937.6104 299.7346 55.0801 85.8945 556837.6667 -1.7094 -1.6822 PRESSURE: 649600 -364.405 -39.2668 57.1206 -39.266 -131.546 75.1194 57.1211 75.1198 -194.292 GPRESSURE: 649600 -325.219 -60.3058 73.0095 -81.2768 -90.679 60.0713 95.5487 129.729 -185.697 PRESSAVG: 649600 -61.2866 -24.3441 38.2335 -24.3441 15.6048 -0.154242 38.2335 -0.154213 37.1246 GPRESSAVG: 649600 -59.251 -26.9883 37.1475 -22.8491 14.9497 -0.0658753 38.2152 -1.2479 35.217 TIMING: 649600 CPU: 1887, 0.00290601/step Wall: 1887, 0.00290601/step, 3.51175 hours remaining, 204.140625 MB of memory in use. ENERGY: 649600 760.9468 2105.0979 1962.8960 116.5916 -205614.3281 17336.0701 0.0000 0.0000 34407.2737 -148925.4520 300.4873 -183332.7257 -148829.7325 299.8023 -230.0810 -200.5317 557667.7662 -2.8524 -3.0281 PRESSURE: 649800 -20.7576 8.80172 -1.6973 8.80175 -306.679 -50.4331 -1.69827 -50.4349 -128.008 GPRESSURE: 649800 -4.78961 -23.675 28.9054 2.10951 -274.526 -18.6288 -20.1809 -43.3273 -85.0639 PRESSAVG: 649800 -2.63585 -25.0379 50.5294 -25.0381 -17.8918 -13.1817 50.5293 -13.1818 35.3675 GPRESSAVG: 649800 -3.52365 -21.6645 50.388 -26.6397 -18.1738 -14.7402 50.7403 -12.0091 36.4794 TIMING: 649800 CPU: 1887.58, 0.00289996/step Wall: 1887.58, 0.00289996/step, 3.50428 hours remaining, 204.140625 MB of memory in use. ENERGY: 649800 744.1986 2082.2174 1997.6157 119.3206 -205907.9535 17520.5359 0.0000 0.0000 34488.6392 -148955.4259 301.1979 -183444.0652 -148856.9035 300.0328 -151.8147 -121.4598 556723.3367 4.9466 4.9273 PRESSURE: 650000 -77.1105 68.764 3.79121 68.7657 88.4758 78.9653 3.79117 78.9647 225.87 GPRESSURE: 650000 -12.3658 84.6961 78.1927 94.7347 145.066 29.5395 -65.5337 161.271 205.477 PRESSAVG: 650000 59.4204 -69.2608 -18.3606 -69.2607 -81.1898 -15.9538 -18.3606 -15.9537 25.066 GPRESSAVG: 650000 59.6328 -73.8294 -19.3326 -66.9298 -80.0754 -15.5753 -16.6856 -16.7844 23.9589 TIMING: 650000 CPU: 1888.17, 0.00291269/step Wall: 1888.17, 0.00291269/step, 3.51951 hours remaining, 204.140625 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: 650000 713.1815 2077.8940 1984.8506 125.6372 -205920.4393 17757.4818 0.0000 0.0000 34285.3871 -148976.0072 299.4228 -183261.3943 -148881.5632 300.2022 79.0786 112.7255 557946.0565 1.0989 1.1721 PRESSURE: 650200 -78.4494 -273.933 46.4372 -273.933 -74.3256 -156.706 46.4353 -156.706 64.4198 GPRESSURE: 650200 -60.0019 -214.774 8.39666 -258.829 -52.3869 -198.529 132.603 -85.2871 133.154 PRESSAVG: 650200 -53.4114 3.21319 12.7537 3.21321 -52.9687 -21.3784 12.7537 -21.3785 108.183 GPRESSAVG: 650200 -53.2429 3.79491 14.5368 2.82011 -53.4296 -21.9713 12.3112 -19.5087 108.79 TIMING: 650200 CPU: 1888.75, 0.00293105/step Wall: 1888.75, 0.00293105/step, 3.54152 hours remaining, 204.140625 MB of memory in use. ENERGY: 650200 746.8776 2013.8907 2009.4181 116.4453 -205855.6574 17768.2527 0.0000 0.0000 34241.2688 -148959.5042 299.0375 -183200.7730 -148860.5750 299.8596 -29.4517 6.9218 558594.0655 0.6011 0.7059 PRESSURE: 650400 228.288 -63.8538 -77.7107 -63.8543 37.7362 42.6643 -77.7103 42.6641 143.297 GPRESSURE: 650400 270.739 -98.2702 0.613358 -2.11199 58.8697 34.6124 -107.486 45.5253 182.205 PRESSAVG: 650400 -43.8059 -53.7528 36.4843 -53.7529 -67.399 -41.1176 36.4843 -41.1175 53.7425 GPRESSAVG: 650400 -43.7473 -51.4088 36.133 -53.7091 -68.1561 -39.2562 33.6351 -43.6392 53.991 TIMING: 650400 CPU: 1889.33, 0.00291277/step Wall: 1889.33, 0.00291277/step, 3.51927 hours remaining, 204.140625 MB of memory in use. ENERGY: 650400 704.9766 2037.1089 1962.9029 121.8641 -206228.9208 17985.2434 0.0000 0.0000 34455.3404 -148961.4845 300.9071 -183416.8249 -148860.0077 299.4885 136.4405 170.6045 557742.2634 -19.1541 -19.3041 PRESSURE: 650600 -268.56 67.9256 -179.696 67.9263 -311.552 -260.704 -179.695 -260.703 -417.181 GPRESSURE: 650600 -309.431 52.213 -157.916 82.2212 -273.583 -269.684 -104.096 -289.525 -317.901 PRESSAVG: 650600 -23.2193 10.6666 14.0519 10.6666 1.08799 -22.4137 14.0519 -22.4137 20.2631 GPRESSAVG: 650600 -23.5682 9.18178 13.7743 10.9522 0.220333 -23.4039 16.0597 -20.5253 21.6283 TIMING: 650600 CPU: 1889.92, 0.00290671/step Wall: 1889.92, 0.00290671/step, 3.51179 hours remaining, 204.140625 MB of memory in use. ENERGY: 650600 771.5517 1999.3941 1983.8132 108.2669 -205645.6527 17414.5157 0.0000 0.0000 34413.4318 -148954.6793 300.5411 -183368.1111 -148848.3495 300.0301 -332.4311 -300.3047 558633.3189 -0.6227 -0.5732 PRESSURE: 650800 -247.88 -11.2413 31.6993 -11.24 -241.188 71.0235 31.6997 71.023 -294.1 GPRESSURE: 650800 -200.625 94.2783 14.9529 -128.692 -220.281 102.068 51.5425 49.4734 -257.813 PRESSAVG: 650800 10.791 38.7118 -28.839 38.7118 -14.0708 9.03223 -28.839 9.03231 33.7098 GPRESSAVG: 650800 10.311 41.2064 -29.3978 36.5012 -12.0461 9.92387 -28.4472 7.72192 32.3015 TIMING: 650800 CPU: 1890.5, 0.00291706/step Wall: 1890.5, 0.00291706/step, 3.52414 hours remaining, 204.140625 MB of memory in use. ENERGY: 650800 743.8948 2099.7143 1959.0542 105.6180 -205474.2597 17323.0789 0.0000 0.0000 34443.1330 -148799.7665 300.8004 -183242.8995 -148705.3428 300.0007 -261.0561 -226.2397 557710.9801 10.1434 10.1888 PRESSURE: 651000 -376.045 -4.47292 7.27935 -4.47241 -151.402 -5.70625 7.28009 -5.70656 -98.3912 GPRESSURE: 651000 -327.449 1.27815 -12.8113 33.5222 -149.061 19.5409 11.1031 -7.22612 -58.104 PRESSAVG: 651000 -10.9665 10.0617 1.22406 10.0616 -84.7232 -2.87147 1.22398 -2.87141 123.656 GPRESSAVG: 651000 -9.81089 8.89965 2.68884 12.4207 -85.1277 -3.23225 -0.721284 -2.25446 123.055 TIMING: 651000 CPU: 1891.08, 0.00291742/step Wall: 1891.08, 0.00291742/step, 3.52441 hours remaining, 204.140625 MB of memory in use. ENERGY: 651000 745.2983 2051.8825 1978.1515 106.3166 -205824.2195 17480.9113 0.0000 0.0000 34420.2084 -149041.4509 300.6002 -183461.6593 -148940.3800 300.6841 -208.6129 -178.2049 556955.7104 9.3221 9.3721 PRESSURE: 651200 -358.506 -47.1255 -82.3753 -47.1265 100.819 -47.129 -82.3757 -47.129 -64.7168 GPRESSURE: 651200 -316.352 -26.9634 -114.974 -79.6076 136.645 -110.024 -183.209 -88.405 -55.4065 PRESSAVG: 651200 -24.2114 4.10367 10.7942 4.10375 37.5919 -26.6492 10.7942 -26.6492 10.4356 GPRESSAVG: 651200 -24.5987 2.53279 11.1061 3.92411 36.9717 -26.1935 8.78096 -26.8597 11.4742 TIMING: 651200 CPU: 1891.66, 0.00290434/step Wall: 1891.66, 0.00290434/step, 3.50845 hours remaining, 204.140625 MB of memory in use. ENERGY: 651200 728.5027 2133.2543 1965.6068 98.0424 -205729.0259 17607.7178 0.0000 0.0000 34265.0955 -148930.8062 299.2456 -183195.9018 -148830.5726 299.4332 -107.4680 -78.3710 559480.9696 7.9387 7.9491 PRESSURE: 651400 -200.409 -107.072 -67.8313 -107.072 58.5398 30.4705 -67.8317 30.4695 -196.482 GPRESSURE: 651400 -212.958 -49.6906 -27.9928 -38.5165 54.0642 21.9837 -108.731 41.338 -89.2922 PRESSAVG: 651400 -0.761266 -51.4121 -39.9112 -51.4121 -42.573 -0.439168 -39.9112 -0.439242 -8.83545 GPRESSAVG: 651400 -1.57701 -50.251 -40.711 -51.5479 -43.6317 -1.84127 -37.5028 0.491795 -7.9369 TIMING: 651400 CPU: 1892.24, 0.00289842/step Wall: 1892.24, 0.00289842/step, 3.50113 hours remaining, 204.140625 MB of memory in use. ENERGY: 651400 724.9479 2109.2488 1983.7021 106.0711 -205948.7505 17758.0779 0.0000 0.0000 34403.0802 -148863.6225 300.4507 -183266.7027 -148768.0395 300.1127 -112.7835 -82.7288 559463.5029 -17.3899 -17.7152 PRESSURE: 651600 -49.7358 161.549 -79.4444 161.551 197.553 25.733 -79.4448 25.7326 -95.7034 GPRESSURE: 651600 43.8383 244.543 -149.618 152.881 219.586 -76.8261 -36.865 49.8827 -109.742 PRESSAVG: 651600 21.3445 -45.2174 -9.44339 -45.2174 26.959 4.1453 -9.44333 4.14529 -80.6022 GPRESSAVG: 651600 20.5042 -45.6915 -9.8654 -45.8715 27.552 4.63053 -7.10603 3.94694 -81.419 TIMING: 651600 CPU: 1892.82, 0.00288451/step Wall: 1892.82, 0.00288451/step, 3.48417 hours remaining, 204.140625 MB of memory in use. ENERGY: 651600 756.8787 2117.3699 1983.5651 112.1499 -206100.1563 17802.5394 0.0000 0.0000 34466.0822 -148861.5712 301.0009 -183327.6534 -148769.1472 300.2632 17.3714 51.2274 556586.4118 -10.7662 -11.1209 PRESSURE: 651800 -79.6491 -109.089 -50.7576 -109.089 -255.168 46.3359 -50.7563 46.3388 -101.743 GPRESSURE: 651800 -65.5477 -157.503 -67.9654 -80.1671 -188.384 62.5197 13.1304 48.7958 -72.4024 PRESSAVG: 651800 11.126 -42.4272 -22.5073 -42.4273 32.1127 33.8265 -22.5073 33.8265 25.3953 GPRESSAVG: 651800 11.3023 -41.4223 -22.287 -42.3553 32.464 35.3673 -22.7011 33.2452 24.831 TIMING: 651800 CPU: 1893.4, 0.00288401/step Wall: 1893.4, 0.00288401/step, 3.48341 hours remaining, 204.140625 MB of memory in use. ENERGY: 651800 755.0907 2119.4805 1971.1616 124.2482 -206041.5329 17696.9774 0.0000 0.0000 34496.7818 -148877.7927 301.2690 -183374.5745 -148778.0027 300.4759 -145.5199 -108.7781 557556.3006 22.8780 22.8657 PRESSURE: 652000 279.629 -53.8544 73.493 -53.8549 -86.55 164.179 73.4923 164.178 10.7669 GPRESSURE: 652000 372.19 -8.79698 138.329 -105.759 -44.9741 107.541 113.206 186.989 -37.1371 PRESSAVG: 652000 16.4167 -13.0475 -60.0062 -13.0475 2.43783 45.5295 -60.0062 45.5294 -5.65599 GPRESSAVG: 652000 17.0557 -13.2818 -60.243 -12.2044 1.34542 44.1983 -59.9431 46.8947 -5.10622 TIMING: 652000 CPU: 1893.98, 0.00290057/step Wall: 1893.98, 0.00290057/step, 3.50324 hours remaining, 204.140625 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: 652000 748.6489 2088.5444 1974.8889 97.8641 -206050.5241 17796.4181 0.0000 0.0000 34324.1718 -149019.9880 299.7615 -183344.1598 -148919.3168 299.6466 67.9487 96.6931 555934.2656 4.3995 4.4316 PRESSURE: 652200 27.9525 -125.547 32.1887 -125.545 -95.1673 -134.635 32.1892 -134.636 147.083 GPRESSURE: 652200 35.3899 -27.815 31.766 -128.805 -53.4962 31.4022 56.9795 -144.885 200.868 PRESSAVG: 652200 -18.5796 -55.5398 14.9607 -55.5398 5.37139 -18.7768 14.9607 -18.7768 5.1291 GPRESSAVG: 652200 -19.1563 -56.8809 17.3841 -56.2861 6.84243 -19.5028 13.421 -19.434 4.34497 TIMING: 652200 CPU: 1894.56, 0.00289858/step Wall: 1894.56, 0.00289859/step, 3.50069 hours remaining, 204.140625 MB of memory in use. ENERGY: 652200 736.6542 2128.9776 1997.3167 112.4402 -206053.8289 17782.0495 0.0000 0.0000 34206.9067 -149089.4839 298.7374 -183296.3907 -148997.9288 299.8209 26.6229 60.9205 555312.4501 -2.6930 -2.6563 LDB: ============= START OF LOAD BALANCING ============== 1898.02 LDB: ============== END OF LOAD BALANCING =============== 1898.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1898.02 LDB: ============= START OF LOAD BALANCING ============== 1898.31 LDB: Largest compute 4855 load 0.028086 is 23.9% of average load 0.117504 LDB: Average compute 0.001744 is 1.5% of average load 0.117504 LDB: TIME 1898.31 LOAD: AVG 0.117504 MAX 0.176259 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 1898.31 LOAD: AVG 0.117504 MAX 0.176259 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.223 MB LDB: TIME 1898.31 LOAD: AVG 0.117504 MAX 0.176259 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.223 MB LDB: ============== END OF LOAD BALANCING =============== 1898.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1898.32 PRESSURE: 652400 -38.9403 11.3212 8.58134 11.3206 -131.672 14.0345 8.58104 14.0348 -433.74 GPRESSURE: 652400 -78.2753 7.90409 -21.9038 -77.4525 -86.6853 -45.7961 58.7991 42.0052 -345.908 PRESSAVG: 652400 -14.5574 -16.8856 -37.2554 -16.8856 -0.824083 -26.8443 -37.2554 -26.8443 13.1392 GPRESSAVG: 652400 -15.0298 -16.9953 -38.7407 -16.6314 -0.62028 -25.3416 -37.0671 -26.2257 13.2511 TIMING: 652400 CPU: 1895.15, 0.00294202/step Wall: 1895.15, 0.00294202/step, 3.55298 hours remaining, 206.687500 MB of memory in use. ENERGY: 652400 724.9072 2053.1227 1992.5669 118.1782 -205988.3785 17634.8165 0.0000 0.0000 34201.4801 -149263.3070 298.6900 -183464.7871 -149160.0377 300.0663 -201.4509 -170.2896 558065.6457 -0.7474 -0.7996 PRESSURE: 652600 37.5758 -127.951 17.3465 -127.95 4.77895 -52.9573 17.3454 -52.9583 324.797 GPRESSURE: 652600 94.1217 -221.676 105.746 -83.1618 46.9262 -29.2032 3.7557 -124.775 313.056 PRESSAVG: 652600 1.277 5.92825 15.343 5.92819 -4.15246 -27.491 15.3431 -27.491 11.1956 GPRESSAVG: 652600 1.32752 6.29824 16.578 6.58333 -4.65333 -29.1137 13.8792 -27.6966 10.7217 TIMING: 652600 CPU: 1895.72, 0.00287979/step Wall: 1895.72, 0.00287979/step, 3.47767 hours remaining, 206.832031 MB of memory in use. ENERGY: 652600 743.1650 2104.1658 1997.0751 106.7641 -206353.7488 18069.2767 0.0000 0.0000 34043.2923 -149290.0099 297.3085 -183333.3022 -149204.5260 299.3890 122.3839 151.3679 557707.3049 2.7734 2.4653 PRESSURE: 652800 -209.092 171.952 50.9866 171.952 -99.2281 -46.0571 50.9883 -46.0563 -387.509 GPRESSURE: 652800 -222.352 80.4862 -44.8171 97.9392 -67.2331 28.8658 151.813 -82.7285 -320.705 PRESSAVG: 652800 60.4328 -25.587 -16.0783 -25.587 -60.157 -39.475 -16.0783 -39.4751 -25.3331 GPRESSAVG: 652800 60.7423 -26.629 -15.5883 -24.4724 -60.5785 -38.4089 -13.6784 -38.7554 -25.0384 TIMING: 652800 CPU: 1896.3, 0.0029077/step Wall: 1896.3, 0.0029077/step, 3.51121 hours remaining, 206.832031 MB of memory in use. ENERGY: 652800 735.5249 2059.9389 2018.0308 112.2793 -205969.3399 17424.6830 0.0000 0.0000 34434.1232 -149184.7596 300.7218 -183618.8828 -149084.4384 298.7793 -231.9432 -203.4301 557990.4673 -8.3524 -8.2915 PRESSURE: 653000 -127.89 203.339 99.1759 203.34 37.7945 45.3396 99.1766 45.341 -75.7028 GPRESSURE: 653000 -96.5337 207.295 93.4808 178.434 52.433 70.012 108.722 -12.1434 -34.0481 PRESSAVG: 653000 -50.5446 0.338202 -19.1 0.338226 44.922 -2.09513 -19.1 -2.09503 1.55027 GPRESSAVG: 653000 -51.9955 1.53422 -22.1439 -0.882497 45.3985 -1.35266 -17.9071 -3.29101 2.06559 TIMING: 653000 CPU: 1896.88, 0.0028906/step Wall: 1896.88, 0.0028906/step, 3.4904 hours remaining, 206.832031 MB of memory in use. ENERGY: 653000 728.6472 2081.4609 1995.6349 115.9965 -205800.9913 17602.5523 0.0000 0.0000 34140.5987 -149136.1009 298.1583 -183276.6995 -149036.5383 298.5451 -55.2663 -26.0496 556859.3330 -1.3575 -1.5105 PRESSURE: 653200 184.441 43.9735 -15.0421 43.9754 2.08971 26.7176 -15.0417 26.7177 -197.671 GPRESSURE: 653200 239.342 -20.8286 -45.938 76.8801 29.1888 35.2271 16.3969 -11.62 -196.69 PRESSAVG: 653200 24.2406 5.90793 14.7804 5.90796 -10.8402 23.7063 14.7803 23.7063 -4.72205 GPRESSAVG: 653200 24.8238 4.96135 15.175 5.50969 -10.9715 23.0372 14.7137 23.8932 -5.26023 TIMING: 653200 CPU: 1897.46, 0.00291763/step Wall: 1897.46, 0.00291763/step, 3.52288 hours remaining, 206.832031 MB of memory in use. ENERGY: 653200 720.5897 2088.2398 1965.2340 111.1090 -205736.2370 17730.7181 0.0000 0.0000 33968.7600 -149151.5863 296.6576 -183120.3463 -149058.3278 298.9174 -3.7133 23.9468 558492.0485 2.8928 2.8640 PRESSURE: 653400 -348.504 -206.93 -91.7867 -206.931 118.475 74.9579 -91.7875 74.9592 30.3594 GPRESSURE: 653400 -345.322 -246.558 9.50064 -153.506 153.303 59.6107 -98.903 86.8025 63.1386 PRESSAVG: 653400 39.9873 -38.0447 13.5613 -38.0447 39.9378 40.8323 13.5613 40.8323 -44.8386 GPRESSAVG: 653400 40.3643 -36.7899 13.2615 -38.2388 39.8919 42.3865 12.796 38.3261 -44.9904 TIMING: 653400 CPU: 1898.04, 0.00289147/step Wall: 1898.04, 0.00289147/step, 3.49112 hours remaining, 206.832031 MB of memory in use. ENERGY: 653400 732.6408 2082.2075 1976.8955 119.0265 -205792.5482 17680.3504 0.0000 0.0000 34093.8278 -149107.5998 297.7499 -183201.4276 -149023.7383 299.1722 -66.5567 -42.9600 558826.9545 11.6955 11.7553 PRESSURE: 653600 -88.7794 166.206 -36.2206 166.205 100.428 40.3631 -36.2204 40.3632 -140.231 GPRESSURE: 653600 -47.3555 131.78 -37.9114 146.897 101.151 -27.2191 -28.8229 75.5253 -79.3374 PRESSAVG: 653600 -17.987 -3.02772 38.4385 -3.02768 5.21724 -10.5244 38.4386 -10.5244 37.4787 GPRESSAVG: 653600 -17.8598 -4.17547 40.9782 -3.50835 3.9217 -12.0191 37.6702 -8.17668 38.4701 TIMING: 653600 CPU: 1898.62, 0.0029035/step Wall: 1898.62, 0.0029035/step, 3.50549 hours remaining, 206.832031 MB of memory in use. ENERGY: 653600 761.0559 2135.4209 1999.8811 118.6588 -206266.8281 17861.4662 0.0000 0.0000 34469.3918 -148920.9534 301.0298 -183390.3451 -148828.3118 300.3197 -42.8608 -8.5141 558256.3166 8.2363 8.1773 PRESSURE: 653800 48.5468 57.7321 36.8858 57.7312 -67.1668 22.1242 36.8855 22.1229 -144.747 GPRESSURE: 653800 124.897 101.397 88.7219 46.9804 -43.6459 39.711 -2.59855 43.3873 -142.76 PRESSAVG: 653800 88.2137 -14.0417 0.210972 -14.0418 -9.22002 23.7914 0.210973 23.7916 -49.5828 GPRESSAVG: 653800 89.6073 -14.2129 -3.17078 -13.5314 -8.57432 26.219 0.182875 23.0913 -51.8136 TIMING: 653800 CPU: 1899.21, 0.00292193/step Wall: 1899.21, 0.00292193/step, 3.52758 hours remaining, 207.093750 MB of memory in use. ENERGY: 653800 747.3753 2092.7322 1983.5140 108.6238 -205918.3328 17881.6263 0.0000 0.0000 34134.2250 -148970.2363 298.1027 -183104.4612 -148875.4101 300.6806 -54.4558 -20.5029 558472.3739 9.8036 9.7398 PRESSURE: 654000 -21.2918 -19.2792 117.879 -19.2786 -42.4319 13.0844 117.879 13.0835 95.5774 GPRESSURE: 654000 60.9158 93.806 86.3663 -85.1243 -7.54628 -59.3811 41.0364 46.1438 72.6667 PRESSAVG: 654000 -17.0716 -8.06642 -22.0776 -8.06639 -2.29234 -14.8185 -22.0775 -14.8186 -17.6047 GPRESSAVG: 654000 -18.1656 -6.02468 -21.0183 -7.62652 -2.01595 -16.4044 -22.6786 -13.8094 -16.6867 TIMING: 654000 CPU: 1899.8, 0.00294609/step Wall: 1899.8, 0.00294609/step, 3.55659 hours remaining, 207.093750 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: 654000 754.8058 2068.8134 1989.0761 113.2532 -206508.1002 17987.3774 0.0000 0.0000 34432.7119 -149162.0623 300.7094 -183594.7742 -149066.6350 299.7030 10.6179 42.0121 556772.8719 -12.3229 -12.2894 PRESSURE: 654200 22.3754 63.939 132.945 63.9399 -12.0903 0.283439 132.946 0.284374 71.476 GPRESSURE: 654200 60.5974 71.5859 73.724 98.5911 21.2851 -34.0442 111.083 47.4906 89.6032 PRESSAVG: 654200 -1.43329 -46.6402 48.2076 -46.6401 -2.58848 34.7348 48.2077 34.7348 -9.67463 GPRESSAVG: 654200 -2.79239 -48.7003 49.0831 -45.7436 -2.24921 34.9858 48.5522 33.7855 -9.02411 TIMING: 654200 CPU: 1900.39, 0.00294172/step Wall: 1900.39, 0.00294172/step, 3.55115 hours remaining, 207.093750 MB of memory in use. ENERGY: 654200 776.5634 2093.4280 1983.0331 110.1633 -206349.5151 17942.5008 0.0000 0.0000 34165.2896 -149278.5369 298.3740 -183443.8265 -149186.1666 299.0508 27.2537 57.1619 557883.8992 -4.5655 -4.6886 PRESSURE: 654400 -160.066 -12.947 -31.2302 -12.9456 -24.9438 77.1071 -31.2299 77.1071 -75.714 GPRESSURE: 654400 -87.7848 47.1729 -14.2743 57.1016 3.67991 -4.89983 -110.826 122.101 -88.3044 PRESSAVG: 654400 13.305 -20.1623 30.0487 -20.1623 2.85615 19.283 30.0488 19.2829 32.1807 GPRESSAVG: 654400 14.117 -17.3949 29.8688 -20.7529 2.1573 17.0584 29.1361 21.2209 31.7319 TIMING: 654400 CPU: 1900.97, 0.00291307/step Wall: 1900.97, 0.00291307/step, 3.5164 hours remaining, 207.093750 MB of memory in use. ENERGY: 654400 766.6939 2139.8870 1979.3648 123.4633 -206224.6424 17769.5250 0.0000 0.0000 34182.3300 -149263.3783 298.5228 -183445.7083 -149171.9746 298.7971 -86.9079 -57.4698 557581.9244 16.1139 16.0021 PRESSURE: 654600 206.229 13.4627 3.72069 13.4638 276.844 77.3332 3.72188 77.3325 52.7489 GPRESSURE: 654600 186.685 3.74722 65.326 38.2015 366.045 82.08 -39.1729 48.1453 75.6153 PRESSAVG: 654600 27.5693 30.1965 25.5372 30.1965 20.6577 -0.132844 25.5372 -0.132778 -6.57031 GPRESSAVG: 654600 26.4543 27.477 27.1627 30.2761 21.5625 2.37108 24.6505 -4.02405 -6.95441 TIMING: 654600 CPU: 1901.55, 0.00292939/step Wall: 1901.55, 0.00292939/step, 3.53594 hours remaining, 207.093750 MB of memory in use. ENERGY: 654600 710.4752 2061.3582 1992.9001 106.2191 -206074.1990 17837.5732 0.0000 0.0000 34237.1821 -149128.4912 299.0018 -183365.6733 -149029.5422 298.6754 178.6073 209.4484 557926.3875 13.8856 13.6875 PRESSURE: 654800 27.6046 103.06 40.2444 103.059 -13.7068 30.9331 40.2445 30.9331 377.016 GPRESSURE: 654800 17.0125 82.2978 0.47912 57.1461 27.7271 -27.0361 -4.00311 10.0821 441.95 PRESSAVG: 654800 -48.8978 0.0159766 10.0608 0.015895 1.4539 47.6848 10.0608 47.6848 36.648 GPRESSAVG: 654800 -48.9904 0.56513 8.75551 -0.948284 1.29225 44.6644 12.1335 50.6566 36.786 TIMING: 654800 CPU: 1902.14, 0.0029408/step Wall: 1902.14, 0.0029408/step, 3.54954 hours remaining, 207.093750 MB of memory in use. ENERGY: 654800 749.9264 2104.6868 2017.3662 110.8272 -206156.2192 17963.2875 0.0000 0.0000 34065.5776 -149144.5474 297.5032 -183210.1250 -149050.4878 298.4559 130.3048 162.2298 558147.0247 -3.5986 -3.6374 PRESSURE: 655000 -84.287 67.1463 -297.619 67.1456 -124.919 187.945 -297.618 187.945 94.3855 GPRESSURE: 655000 -40.4667 65.5979 -354.572 7.03064 -57.2714 183.609 -237.175 150.786 84.7855 PRESSAVG: 655000 -63.8113 -28.4717 -4.88097 -28.4716 15.741 46.9632 -4.881 46.9631 70.2235 GPRESSAVG: 655000 -62.7306 -27.4027 -3.35714 -28.224 14.6631 49.7217 -4.12559 45.4301 70.0971 TIMING: 655000 CPU: 1902.73, 0.00294481/step Wall: 1902.73, 0.00294481/step, 3.55422 hours remaining, 207.093750 MB of memory in use. ENERGY: 655000 714.4373 2138.6943 1945.2851 112.3948 -205875.7274 17631.8234 0.0000 0.0000 34195.0181 -149138.0744 298.6336 -183333.0925 -149038.0285 299.2921 -38.2735 -4.3175 558288.2035 7.3844 7.3432 PRESSURE: 655200 164.872 175.925 -47.7938 175.925 -4.66832 -24.6045 -47.794 -24.6045 196.7 GPRESSURE: 655200 201.624 133.316 -20.7812 117.482 23.4265 -3.56963 -48.5228 -20.7275 224.038 PRESSAVG: 655200 72.054 23.0856 -55.4845 23.0857 -21.3147 17.5453 -55.4846 17.5453 -57.3261 GPRESSAVG: 655200 71.8636 21.3036 -57.4677 23.7093 -19.9824 17.5623 -56.1572 16.7447 -58.0777 TIMING: 655200 CPU: 1903.32, 0.0029403/step Wall: 1903.32, 0.0029403/step, 3.54861 hours remaining, 207.093750 MB of memory in use. ENERGY: 655200 712.4339 2094.0751 1971.6170 99.9701 -206032.5988 17799.1944 0.0000 0.0000 34369.4026 -148985.9057 300.1565 -183355.3083 -148891.3151 298.2668 118.9681 149.6963 557831.0123 -2.1956 -2.0655 PRESSURE: 655400 -114.569 -4.70984 88.4753 -4.71038 53.0285 45.0048 88.4766 45.0044 -166.218 GPRESSURE: 655400 -80.1511 -35.8878 67.132 -39.9173 113.014 -9.31672 58.1277 68.2673 -176.329 PRESSAVG: 655400 -52.7514 13.8344 13.8669 13.8345 42.2038 52.5924 13.8669 52.5924 -21.7607 GPRESSAVG: 655400 -53.9698 13.8852 15.2237 13.5123 42.884 50.352 14.5936 52.8159 -21.0175 TIMING: 655400 CPU: 1903.9, 0.0029137/step Wall: 1903.9, 0.00291369/step, 3.51634 hours remaining, 207.093750 MB of memory in use. ENERGY: 655400 757.5649 2089.2881 1974.1036 106.5337 -206092.0981 17785.9384 0.0000 0.0000 34318.9873 -149059.6820 299.7163 -183378.6693 -148967.5309 299.4354 -75.9195 -47.8221 557368.4122 -10.7694 -10.7011 PRESSURE: 655600 -350.704 119.388 -207.187 119.387 -230.655 -26.3119 -207.188 -26.3106 208.367 GPRESSURE: 655600 -270.292 109.367 -136.534 128.291 -181.755 -15.2689 -237.911 -77.7718 180.028 PRESSAVG: 655600 -30.5534 20.7179 -16.5788 20.7177 -27.2408 18.1789 -16.5788 18.179 73.5816 GPRESSAVG: 655600 -30.3166 22.2146 -16.5771 19.4171 -26.9693 19.6008 -18.099 18.8473 73.5376 TIMING: 655600 CPU: 1904.49, 0.00292736/step Wall: 1904.49, 0.00292736/step, 3.53267 hours remaining, 207.093750 MB of memory in use. ENERGY: 655600 782.3932 2057.6627 1982.8569 101.4905 -205629.6100 17345.1982 0.0000 0.0000 34209.9411 -149150.0674 298.7639 -183360.0085 -149055.1451 299.3800 -124.3303 -90.6730 557111.1772 5.2625 5.4172 PRESSURE: 655800 55.2221 -67.7391 -24.459 -67.7387 -137.255 -60.6487 -24.4604 -60.6496 -40.4571 GPRESSURE: 655800 107.471 -17.7836 -68.7995 -148.709 -85.1825 -36.6812 6.38897 -55.288 -40.0264 PRESSAVG: 655800 -59.3532 -39.1008 -32.4217 -39.1008 16.3053 6.49991 -32.4217 6.4998 24.6219 GPRESSAVG: 655800 -59.5671 -40.7739 -32.7319 -38.9709 15.7386 8.08166 -31.9821 5.10774 25.1698 TIMING: 655800 CPU: 1905.07, 0.00292525/step Wall: 1905.07, 0.00292525/step, 3.52996 hours remaining, 207.093750 MB of memory in use. ENERGY: 655800 726.6066 2120.5572 1950.5847 125.7385 -206115.9192 17700.6145 0.0000 0.0000 34233.0558 -149258.7620 298.9658 -183491.8178 -149152.9595 298.7063 -40.8299 -5.9125 556694.6808 -6.1420 -6.2195 PRESSURE: 656000 -0.154086 25.9504 53.6025 25.9503 139.152 -115.223 53.6024 -115.223 122.925 GPRESSURE: 656000 63.0749 40.9772 -0.146772 -2.05888 131.205 -102.906 15.9794 -186.984 163.41 PRESSAVG: 656000 9.43746 19.6601 -15.8304 19.6601 8.38945 3.24107 -15.8304 3.24102 -26.0109 GPRESSAVG: 656000 10.975 18.8001 -15.013 22.2578 7.85594 2.81493 -17.039 5.39667 -27.276 TIMING: 656000 CPU: 1905.65, 0.00291041/step Wall: 1905.65, 0.00291041/step, 3.51189 hours remaining, 207.093750 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: 656000 771.1783 2102.6277 1960.1846 114.0094 -206398.7328 17981.7081 0.0000 0.0000 34262.7711 -149206.2536 299.2253 -183469.0247 -149117.6334 299.0686 87.3078 119.2299 557521.5118 -2.7280 -2.8150 PRESSURE: 656200 24.927 -41.8516 -132.958 -41.8517 -57.4914 -136.311 -132.958 -136.311 -105.308 GPRESSURE: 656200 62.0931 -18.4386 -138.085 13.2988 10.9371 -87.0172 -124.705 -128.328 -101.716 PRESSAVG: 656200 21.1125 -5.53688 -63.475 -5.53685 -39.0969 49.639 -63.475 49.6389 41.8592 GPRESSAVG: 656200 20.4563 -3.66531 -63.2595 -6.95362 -39.7215 47.8151 -64.2603 48.2167 43.1382 TIMING: 656200 CPU: 1906.24, 0.00291355/step Wall: 1906.24, 0.00291355/step, 3.51552 hours remaining, 207.093750 MB of memory in use. ENERGY: 656200 725.9583 2095.6356 1979.3565 131.3156 -205915.5934 17834.5169 0.0000 0.0000 34165.0583 -148983.7522 298.3720 -183148.8105 -148890.5930 298.9842 -45.9575 -9.5620 558529.0754 7.9582 7.9577 LDB: ============= START OF LOAD BALANCING ============== 1909.71 LDB: ============== END OF LOAD BALANCING =============== 1909.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1909.71 LDB: ============= START OF LOAD BALANCING ============== 1910 LDB: Largest compute 4855 load 0.027801 is 23.7% of average load 0.117492 LDB: Average compute 0.001744 is 1.5% of average load 0.117492 LDB: TIME 1910 LOAD: AVG 0.117492 MAX 0.181204 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.246 MB LDB: TIME 1910 LOAD: AVG 0.117492 MAX 0.181204 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.246 MB LDB: TIME 1910 LOAD: AVG 0.117492 MAX 0.181204 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1910 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1910.01 PRESSURE: 656400 107.698 -28.5442 -68.4831 -28.5445 -104.051 51.1302 -68.4833 51.13 -172.373 GPRESSURE: 656400 173.658 22.4512 -73.5638 -0.379161 -95.6019 65.5456 -12.0663 59.0951 -145.115 PRESSAVG: 656400 21.4531 18.0007 -23.5299 18.0009 27.9744 -21.7878 -23.5299 -21.7878 -31.1438 GPRESSAVG: 656400 20.9791 19.9665 -25.2716 16.6492 28.6562 -18.5973 -19.6602 -21.7021 -31.4471 TIMING: 656400 CPU: 1906.83, 0.00297517/step Wall: 1906.83, 0.00297517/step, 3.58971 hours remaining, 204.449219 MB of memory in use. ENERGY: 656400 751.7187 2104.0238 1958.4521 117.9471 -205745.6732 17749.7334 0.0000 0.0000 34178.6716 -148885.1266 298.4908 -183063.7982 -148787.3148 299.4228 -56.2423 -22.3530 558254.1669 6.0946 6.0627 PRESSURE: 656600 0.933586 51.7433 -28.2212 51.7423 284.496 -11.3003 -28.2205 -11.2989 -11.6758 GPRESSURE: 656600 100.313 -21.0026 1.90586 84.8948 266.614 -26.9827 31.3179 40.417 6.79516 PRESSAVG: 656600 -0.498518 -31.8972 -42.5743 -31.8972 -4.73777 -0.306371 -42.5743 -0.306245 -21.386 GPRESSAVG: 656600 -0.213596 -35.857 -41.2452 -29.4535 -3.82974 -3.48181 -45.7993 0.643302 -23.0028 TIMING: 656600 CPU: 1907.41, 0.00290817/step Wall: 1907.41, 0.00290817/step, 3.50871 hours remaining, 204.519531 MB of memory in use. ENERGY: 656600 712.7718 2166.8019 1976.3889 106.6147 -206220.6682 17889.3340 0.0000 0.0000 34520.7102 -148848.0467 301.4779 -183368.7569 -148753.5630 299.8887 91.2512 124.5740 558233.9811 -8.8741 -9.0154 PRESSURE: 656800 -46.6868 97.4386 35.6645 97.4383 -291.245 121.756 35.6654 121.757 -221.134 GPRESSURE: 656800 -80.3143 88.6455 51.0015 85.9883 -218.092 86.0016 48.5844 79.6195 -172.415 PRESSAVG: 656800 49.0032 -13.9919 -7.18137 -13.9918 23.5628 7.96622 -7.1813 7.96619 -74.531 GPRESSAVG: 656800 47.2331 -12.978 -10.1835 -15.2026 22.7694 8.88234 -3.81021 8.04444 -71.9182 TIMING: 656800 CPU: 1907.99, 0.00290441/step Wall: 1907.99, 0.00290441/step, 3.50402 hours remaining, 204.722656 MB of memory in use. ENERGY: 656800 720.0635 2092.8682 1973.7926 105.5267 -205736.4674 17589.2746 0.0000 0.0000 34275.5945 -148979.3473 299.3373 -183254.9418 -148876.2093 299.4440 -186.3553 -156.9404 559954.6775 -0.6550 -0.6386 PRESSURE: 657000 -53.8933 89.1449 48.7028 89.1452 49.8856 -47.4942 48.7034 -47.4937 14.2405 GPRESSURE: 657000 -56.2283 129.951 -0.886325 33.2386 79.0568 -105.284 53.6828 -4.48707 89.8616 PRESSAVG: 657000 -0.505561 -15.5376 -8.1419 -15.5377 29.5745 -51.6612 -8.14187 -51.6613 -6.21895 GPRESSAVG: 657000 -0.283698 -15.6947 -5.91945 -16.0374 30.214 -50.7556 -10.4314 -53.1101 -7.64329 TIMING: 657000 CPU: 1908.58, 0.00291249/step Wall: 1908.58, 0.00291249/step, 3.51359 hours remaining, 204.925781 MB of memory in use. ENERGY: 657000 748.0448 2116.6527 2003.7056 120.7750 -206227.4899 17830.4599 0.0000 0.0000 34437.0911 -148970.7609 300.7477 -183407.8520 -148879.9349 300.0896 3.4109 37.5634 556411.6949 7.6167 7.4290 PRESSURE: 657200 -68.7418 -48.5453 117.984 -48.5443 93.4949 -40.3352 117.984 -40.3343 -334.874 GPRESSURE: 657200 -69.1394 3.86443 102.846 -11.9282 110.641 -81.5205 121.961 -27.0306 -258.815 PRESSAVG: 657200 -58.5474 -1.76361 -27.3661 -1.76363 -2.81173 -32.6072 -27.366 -32.6072 58.6666 GPRESSAVG: 657200 -57.9838 -1.9638 -26.6606 -0.705168 -3.35671 -35.7779 -27.865 -31.1144 58.62 TIMING: 657200 CPU: 1909.16, 0.00291158/step Wall: 1909.16, 0.00291158/step, 3.51233 hours remaining, 204.925781 MB of memory in use. ENERGY: 657200 757.4023 2138.3456 1934.0417 100.9295 -206099.0283 17584.9214 0.0000 0.0000 34340.3045 -149243.0832 299.9024 -183583.3878 -149143.0267 299.6448 -103.3735 -72.4377 557208.2526 -0.8975 -0.9068 PRESSURE: 657400 79.4792 -109.198 -19.0691 -109.198 14.027 -84.5314 -19.0692 -84.5297 -100.033 GPRESSURE: 657400 139.25 -135.148 2.69923 -88.1893 58.3052 13.3267 -37.9326 -174.978 -88.5217 PRESSAVG: 657400 26.982 -47.9878 -7.39547 -47.9879 7.46655 -14.1868 -7.39546 -14.1868 -25.2924 GPRESSAVG: 657400 26.8168 -47.172 -7.90607 -47.8233 6.43815 -15.1685 -7.49032 -12.2875 -24.5577 TIMING: 657400 CPU: 1909.74, 0.00289809/step Wall: 1909.74, 0.00289809/step, 3.4959 hours remaining, 204.925781 MB of memory in use. ENERGY: 657400 725.8970 2158.6148 1952.8560 107.1821 -206146.5643 17762.8228 0.0000 0.0000 34303.6225 -149135.5692 299.5821 -183439.1917 -149037.7425 299.2547 -2.1755 36.3445 557420.1022 3.0520 2.8991 PRESSURE: 657600 42.6417 -25.9669 -140.405 -25.9668 -76.1654 200.349 -140.405 200.348 27.4459 GPRESSURE: 657600 39.0143 33.5656 -156.57 -67.9072 10.0279 225.047 -79.3873 203.258 41.9531 PRESSAVG: 657600 81.4056 -21.7325 -64.8044 -21.7325 -86.3915 -7.31268 -64.8043 -7.31267 46.8267 GPRESSAVG: 657600 80.7805 -21.2843 -65.2461 -21.2798 -86.3401 -4.64047 -63.3319 -9.9281 46.815 TIMING: 657600 CPU: 1910.32, 0.00288324/step Wall: 1910.32, 0.00288324/step, 3.47783 hours remaining, 204.925781 MB of memory in use. ENERGY: 657600 736.4414 2117.5865 1942.2897 114.1598 -206011.2086 17647.8185 0.0000 0.0000 34346.6275 -149106.2852 299.9576 -183452.9127 -149008.9265 299.3419 -2.0259 30.3318 556802.5082 13.9469 13.7518 PRESSURE: 657800 -28.6787 -34.7724 -183.352 -34.7702 -142.893 -14.524 -183.352 -14.5245 -5.63984 GPRESSURE: 657800 17.431 25.5043 -168.15 -102.638 -141.52 115.756 -175.365 -69.9256 51.2852 PRESSAVG: 657800 30.6287 -16.1873 -93.614 -16.1873 -59.9901 5.42088 -93.6141 5.42084 98.8703 GPRESSAVG: 657800 30.212 -14.6449 -93.5043 -18.4645 -60.2522 4.38752 -94.5167 4.53849 99.6922 TIMING: 657800 CPU: 1910.89, 0.00289303/step Wall: 1910.89, 0.00289303/step, 3.48948 hours remaining, 204.925781 MB of memory in use. ENERGY: 657800 716.4770 2119.4486 1990.1768 105.4262 -206017.7708 17581.0101 0.0000 0.0000 34353.7572 -149151.4748 300.0199 -183505.2320 -149050.3402 299.5097 -59.0706 -24.2680 557777.1972 23.1696 23.2173 PRESSURE: 658000 1.9835 -30.639 90.0381 -30.6393 -16.5424 46.4306 90.0395 46.4316 108.021 GPRESSURE: 658000 36.3408 -23.8872 91.2845 -22.6022 13.8309 -31.3975 166.047 122.236 146.446 PRESSAVG: 658000 -47.6626 -43.9828 8.2607 -43.9828 -16.4691 6.6406 8.26067 6.64076 42.7644 GPRESSAVG: 658000 -47.623 -45.9634 7.87308 -42.2749 -15.766 6.204 9.53459 8.71689 41.6415 TIMING: 658000 CPU: 1911.47, 0.00290049/step Wall: 1911.47, 0.00290049/step, 3.49831 hours remaining, 204.925781 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: 658000 770.8378 2095.6275 2007.8972 108.7423 -206498.0993 17972.1027 0.0000 0.0000 34247.7473 -149295.1446 299.0941 -183542.8919 -149202.9573 298.7762 31.1539 65.5393 556778.1034 -7.1224 -7.2492 PRESSURE: 658200 -395.489 -79.9838 -106.487 -79.9836 83.3474 -228.451 -106.486 -228.451 -287.785 GPRESSURE: 658200 -356.603 -90.9184 -133.152 -17.8137 124.584 -224.638 -108.285 -292.795 -268.038 PRESSAVG: 658200 34.9302 -34.7398 -27.4526 -34.7398 -56.6264 -5.82101 -27.4526 -5.82101 48.9354 GPRESSAVG: 658200 35.3198 -35.3637 -27.7192 -32.9154 -57.1051 -6.05205 -28.8366 -6.31572 49.1009 TIMING: 658200 CPU: 1912.06, 0.00290968/step Wall: 1912.06, 0.00290968/step, 3.50924 hours remaining, 204.925781 MB of memory in use. ENERGY: 658200 767.9551 2097.8920 1969.8685 123.8646 -206180.3264 17794.7564 0.0000 0.0000 34295.2411 -149130.7487 299.5089 -183425.9898 -149039.4714 298.5393 -199.9755 -166.6854 558066.5540 9.0797 9.1052 PRESSURE: 658400 -229.031 -136 14.4899 -135.999 153.431 129.749 14.4907 129.749 -74.2919 GPRESSURE: 658400 -212.012 -121.602 38.8175 -166.721 203.862 72.8835 24.6628 139.074 -61.4867 PRESSAVG: 658400 -2.16762 -29.0428 24.1601 -29.043 21.121 -8.08294 24.1601 -8.08291 2.83601 GPRESSAVG: 658400 -2.77968 -25.4469 23.4641 -31.1233 21.5186 -8.04916 25.6502 -8.8716 2.9059 TIMING: 658400 CPU: 1912.64, 0.00290263/step Wall: 1912.64, 0.00290263/step, 3.50057 hours remaining, 204.925781 MB of memory in use. ENERGY: 658400 772.9007 2117.1360 1986.1895 108.3208 -206026.8524 17646.0382 0.0000 0.0000 34297.5995 -149098.6677 299.5295 -183396.2671 -149004.3612 299.7008 -49.9640 -23.2124 557429.0749 7.2631 7.2149 PRESSURE: 658600 -138.732 62.3908 120.283 62.3915 68.449 123.325 120.282 123.326 174.406 GPRESSURE: 658600 -42.5338 0.89296 150.194 1.82385 45.88 82.0348 43.0979 80.1923 187.242 PRESSAVG: 658600 -71.9288 9.81026 37.8923 9.81019 61.0904 -32.1367 37.8923 -32.1367 3.22266 GPRESSAVG: 658600 -71.7997 7.27348 39.5477 9.07881 60.5293 -31.7283 36.6339 -30.1706 3.5209 TIMING: 658600 CPU: 1913.22, 0.00291567/step Wall: 1913.22, 0.00291567/step, 3.51613 hours remaining, 204.925781 MB of memory in use. ENERGY: 658600 758.2412 2103.8148 1978.0048 113.4932 -206180.1457 17790.9482 0.0000 0.0000 34227.7174 -149207.9261 298.9192 -183435.6435 -149107.0992 298.8851 34.7076 63.5295 557452.4176 -2.5386 -2.5832 PRESSURE: 658800 -94.6007 -106.894 -18.4657 -106.894 37.3119 -84.2171 -18.4633 -84.2182 58.4991 GPRESSURE: 658800 -48.4411 -225.248 -68.342 -95.5702 42.5105 -100.631 -51.4182 -131.981 104.713 PRESSAVG: 658800 -56.666 7.81439 49.6826 7.81443 62.4437 -15.7283 49.6826 -15.7282 -35.8413 GPRESSAVG: 658800 -55.7313 6.14631 48.385 9.85029 62.5336 -14.8878 49.3255 -16.5383 -36.7908 TIMING: 658800 CPU: 1913.8, 0.00289287/step Wall: 1913.8, 0.00289287/step, 3.48849 hours remaining, 204.925781 MB of memory in use. ENERGY: 658800 718.7708 2132.5616 1939.9922 108.2974 -206213.8721 17946.1577 0.0000 0.0000 33980.8525 -149387.2399 296.7632 -183368.0924 -149290.9701 299.1482 0.4034 32.9274 558046.9083 -10.0212 -9.9962 PRESSURE: 659000 -54.6775 68.5483 -155.653 68.547 -287.584 7.7848 -155.653 7.78502 -112.886 GPRESSURE: 659000 -62.168 -119.082 -158.369 148.796 -219.455 110.643 -145.046 -91.9654 -63.2985 PRESSAVG: 659000 86.2492 -23.3129 30.5337 -23.3129 -62.649 13.1953 30.5337 13.1952 -30.4263 GPRESSAVG: 659000 84.3912 -20.6677 32.6426 -24.0087 -62.234 12.2595 30.3458 14.1016 -29.3532 TIMING: 659000 CPU: 1914.38, 0.00291473/step Wall: 1914.38, 0.00291473/step, 3.51467 hours remaining, 204.925781 MB of memory in use. ENERGY: 659000 726.7989 2071.0966 1976.1570 105.1830 -205872.8478 17536.1026 0.0000 0.0000 33921.4398 -149536.0699 296.2444 -183457.5097 -149434.8369 298.2397 -151.7157 -114.9739 558847.8881 -2.2754 -2.3987 PRESSURE: 659200 77.7894 -25.7351 -100.396 -25.7343 -48.3095 188.631 -100.395 188.63 54.569 GPRESSURE: 659200 135.116 -82.8376 -156.852 -69.8952 -53.0002 126.025 -15.8809 208.773 90.5275 PRESSAVG: 659200 -13.829 34.2403 -40.4179 34.2404 -73.1923 24.9953 -40.4178 24.9952 58.6216 GPRESSAVG: 659200 -13.3191 32.2358 -41.6866 35.7641 -74.6682 24.6104 -40.3578 24.6747 59.3625 TIMING: 659200 CPU: 1914.96, 0.00289396/step Wall: 1914.96, 0.00289396/step, 3.48948 hours remaining, 204.925781 MB of memory in use. ENERGY: 659200 718.3092 2086.3434 1970.7930 107.1790 -206592.2952 17917.0211 0.0000 0.0000 34020.6819 -149771.9677 297.1111 -183792.6495 -149670.0487 297.8573 28.0163 57.5478 558211.6149 -9.4666 -9.5416 PRESSURE: 659400 -193.14 -7.48729 -53.8165 -7.48731 -0.0811398 46.3589 -53.8166 46.3595 -204.967 GPRESSURE: 659400 -109.824 5.47906 -61.9263 5.65205 2.02948 37.2347 -74.3821 15.8843 -183.061 PRESSAVG: 659400 -30.1498 30.0218 -44.271 30.0217 50.2909 -8.45954 -44.2709 -8.45954 26.8766 GPRESSAVG: 659400 -29.6363 32.4709 -42.6012 28.9927 50.6024 -8.06129 -42.3116 -8.66329 26.1669 TIMING: 659400 CPU: 1915.54, 0.00292011/step Wall: 1915.54, 0.00292011/step, 3.52084 hours remaining, 204.925781 MB of memory in use. ENERGY: 659400 761.5757 2046.9182 1984.6170 104.3898 -206591.2869 17796.3491 0.0000 0.0000 34202.1061 -149695.3312 298.6955 -183897.4373 -149601.3006 297.6480 -132.7294 -96.9517 556553.7572 15.6726 15.7110 PRESSURE: 659600 98.2579 -32.6253 247.114 -32.6256 -60.0279 -17.8914 247.114 -17.8916 -53.9087 GPRESSURE: 659600 133.486 -83.0906 260.471 28.0421 0.602909 -41.4038 210.448 -61.9657 -43.4927 PRESSAVG: 659600 10.2834 21.4864 -33.4621 21.4864 -40.6959 -24.0322 -33.4621 -24.0322 16.1803 GPRESSAVG: 659600 9.5115 18.8447 -34.9489 23.887 -40.4447 -22.7288 -34.6385 -25.3319 16.5841 TIMING: 659600 CPU: 1916.13, 0.0029149/step Wall: 1916.13, 0.0029149/step, 3.51439 hours remaining, 204.925781 MB of memory in use. ENERGY: 659600 772.1994 2058.3213 1977.3650 117.3407 -206609.7504 17986.9158 0.0000 0.0000 34061.5935 -149636.0146 297.4684 -183697.6081 -149544.2629 297.9451 -5.2262 30.1986 556672.8838 -4.7441 -4.7830 PRESSURE: 659800 2.6562 -9.85309 -167.384 -9.85393 -131.604 35.7645 -167.384 35.7641 -105.645 GPRESSURE: 659800 38.3815 -112.045 -192.838 -26.9916 -81.6815 37.3665 -125.611 64.0606 -86.9251 PRESSAVG: 659800 -7.54491 5.46688 19.4712 5.46683 -15.2331 26.2016 19.4713 26.2016 8.11729 GPRESSAVG: 659800 -6.28627 7.37315 20.5291 1.53392 -16.6056 25.0674 18.5078 28.2202 8.84751 TIMING: 659800 CPU: 1916.71, 0.00289748/step Wall: 1916.71, 0.00289748/step, 3.49323 hours remaining, 204.925781 MB of memory in use. ENERGY: 659800 768.6929 2145.0953 1970.7658 124.3919 -206583.6699 17924.0335 0.0000 0.0000 34109.8954 -149540.7951 297.8902 -183650.6905 -149447.4305 297.5635 -78.1977 -43.4084 559235.2021 -4.8869 -4.6814 PRESSURE: 660000 11.0151 -98.0156 128.826 -98.0156 -120.56 73.1418 128.827 73.1421 5.45233 GPRESSURE: 660000 30.1593 -11.421 79.5989 -123.876 -73.6614 76.9224 110.051 53.1819 32.8537 PRESSAVG: 660000 49.7163 -29.2136 -10.7307 -29.2136 -109.484 -54.5251 -10.7307 -54.5251 67.0853 GPRESSAVG: 660000 50.2764 -28.5367 -11.5779 -28.6528 -108.62 -55.8092 -8.99946 -56.1647 66.0665 TIMING: 660000 CPU: 1917.29, 0.00290031/step Wall: 1917.29, 0.00290031/step, 3.49648 hours remaining, 204.925781 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: 660000 760.0073 2079.1057 1947.9636 112.2152 -206510.4145 17958.4922 0.0000 0.0000 34003.9610 -149648.6695 296.9650 -183652.6305 -149551.6820 297.6771 -34.6976 -3.5495 559702.0512 2.4392 2.5742 PRESSURE: 660200 -131.178 -0.421109 52.8003 -0.420634 -148.841 40.7481 52.8015 40.7489 -267.54 GPRESSURE: 660200 -128.224 50.4262 15.3877 -27.0884 -104.734 -11.1631 61.7338 33.2037 -215.638 PRESSAVG: 660200 36.616 -38.9561 -26.2862 -38.9561 -52.6721 37.4658 -26.2863 37.4656 11.8877 GPRESSAVG: 660200 36.3222 -38.527 -25.5356 -38.6582 -51.9933 40.3276 -27.2033 37.668 10.9858 TIMING: 660200 CPU: 1917.87, 0.00289615/step Wall: 1917.87, 0.00289615/step, 3.49131 hours remaining, 204.925781 MB of memory in use. ENERGY: 660200 747.5081 2133.4794 1958.5527 123.8817 -206614.1772 17823.1676 0.0000 0.0000 34209.4886 -149618.0992 298.7600 -183827.5878 -149511.1543 297.8074 -182.5197 -149.5321 559004.3647 -1.3895 -1.5617 LDB: ============= START OF LOAD BALANCING ============== 1921.33 LDB: ============== END OF LOAD BALANCING =============== 1921.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1921.33 LDB: ============= START OF LOAD BALANCING ============== 1921.62 LDB: Largest compute 4820 load 0.027886 is 23.7% of average load 0.117599 LDB: Average compute 0.001733 is 1.5% of average load 0.117599 LDB: TIME 1921.63 LOAD: AVG 0.117599 MAX 0.177837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.707 MB LDB: TIME 1921.63 LOAD: AVG 0.117599 MAX 0.177837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: TIME 1921.63 LOAD: AVG 0.117599 MAX 0.177837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: ============== END OF LOAD BALANCING =============== 1921.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1921.63 PRESSURE: 660400 62.394 -25.164 -58.433 -25.1635 -241.454 224.575 -58.4323 224.574 68.7055 GPRESSURE: 660400 134.125 -52.1955 -118.001 14.5003 -238.733 146.374 49.9977 281.773 88.6356 PRESSAVG: 660400 -33.959 -17.1988 -16.3559 -17.1986 -70.9578 14.4938 -16.3558 14.4939 102.765 GPRESSAVG: 660400 -33.8174 -17.554 -16.0268 -15.8486 -72.8258 14.7075 -16.6579 14.5426 104.516 TIMING: 660400 CPU: 1918.46, 0.00296111/step Wall: 1918.46, 0.00296112/step, 3.56946 hours remaining, 206.742188 MB of memory in use. ENERGY: 660400 734.1108 2103.9223 1975.9163 111.0968 -206499.0801 17867.0229 0.0000 0.0000 34020.1709 -149686.8400 297.1066 -183707.0110 -149592.9844 297.7501 -36.7850 -5.3241 557052.0783 -0.7173 -0.7092 PRESSURE: 660600 262.287 85.7373 43.9018 85.7355 -169.829 39.1933 43.9001 39.194 -167.344 GPRESSURE: 660600 280.711 78.3649 5.81856 63.7589 -99.3653 0.986804 59.2071 11.2027 -163.857 PRESSAVG: 660600 52.5925 46.4811 -27.8455 46.4811 -73.8034 94.2632 -27.8456 94.2631 48.702 GPRESSAVG: 660600 52.5514 45.8218 -28.1612 48.025 -72.9696 94.8428 -27.6935 93.9936 48.135 TIMING: 660600 CPU: 1919.04, 0.00290642/step Wall: 1919.04, 0.00290642/step, 3.50336 hours remaining, 206.812500 MB of memory in use. ENERGY: 660600 773.7252 2116.0107 1987.4163 107.3243 -206303.7618 17756.8494 0.0000 0.0000 34032.1425 -149530.2933 297.2112 -183562.4358 -149432.2324 297.7192 -24.9618 5.8294 557506.7176 9.1637 9.2389 PRESSURE: 660800 -120.952 -94.1623 -10.2479 -94.1629 -173.855 0.15825 -10.2466 0.157164 -294.56 GPRESSURE: 660800 -94.9982 -26.6979 48.7433 -104.663 -155.646 24.0441 -92.9054 10.2352 -259.032 PRESSAVG: 660800 81.898 47.9381 11.111 47.9381 34.2065 12.0102 11.1111 12.0103 -76.1788 GPRESSAVG: 660800 79.7645 46.6484 9.55527 45.2937 35.6335 11.3446 11.8445 11.0107 -75.5788 TIMING: 660800 CPU: 1919.63, 0.00293267/step Wall: 1919.63, 0.00293267/step, 3.53484 hours remaining, 207.121094 MB of memory in use. ENERGY: 660800 745.6035 2119.1418 1982.5393 123.4522 -205898.6691 17510.5138 0.0000 0.0000 34024.2589 -149393.1595 297.1423 -183417.4185 -149296.5957 298.5153 -196.4558 -169.8920 558479.0119 13.3086 13.2731 PRESSURE: 661000 -141.216 57.4533 -68.3147 57.4546 -124.587 -42.6037 -68.3133 -42.6034 3.36712 GPRESSURE: 661000 -132.094 108.193 -137.037 50.9262 -71.7366 -41.2604 -6.88376 -51.7381 55.8093 PRESSAVG: 661000 11.189 4.84063 8.40408 4.84054 34.929 -11.4219 8.40401 -11.422 -24.9181 GPRESSAVG: 661000 12.4237 4.46772 8.09236 7.93242 34.7503 -12.7179 8.8413 -10.1832 -25.6182 TIMING: 661000 CPU: 1920.21, 0.0029079/step Wall: 1920.21, 0.0029079/step, 3.50483 hours remaining, 207.296875 MB of memory in use. ENERGY: 661000 743.2618 2001.1889 1988.2278 108.5483 -206285.5569 17700.2631 0.0000 0.0000 34257.2529 -149486.8141 299.1771 -183744.0670 -149386.8460 299.0811 -87.4786 -49.3404 556273.1881 7.0666 7.1853 PRESSURE: 661200 150.421 6.41084 24.4893 6.41173 -135.743 8.90651 24.4903 8.90509 -63.5457 GPRESSURE: 661200 116.539 107.075 133.676 -25.0714 -58.8887 63.8663 0.982245 8.65338 -7.09195 PRESSAVG: 661200 -4.22727 28.6099 19.4963 28.6099 16.2737 -27.9011 19.4962 -27.9012 16.6014 GPRESSAVG: 661200 -5.29411 29.7623 23.9285 27.1773 16.2722 -26.0702 18.7474 -28.0069 17.1905 TIMING: 661200 CPU: 1920.79, 0.00292454/step Wall: 1920.79, 0.00292454/step, 3.52472 hours remaining, 207.296875 MB of memory in use. ENERGY: 661200 785.1219 1999.2468 1974.0609 109.7074 -206472.8009 17897.4231 0.0000 0.0000 34292.6554 -149414.5854 299.4863 -183707.2408 -149324.1170 299.1871 -16.2891 16.8528 556428.8545 9.5493 9.3895 PRESSURE: 661400 163.81 31.7157 1.93973 31.7163 -72.1186 -24.6615 1.93912 -24.6605 -109.938 GPRESSURE: 661400 201.069 11.8542 -95.6054 9.74709 -26.3439 -47.6059 -39.614 -102.508 -81.1135 PRESSAVG: 661400 54.928 0.0256847 -29.7495 0.0257269 -14.9222 23.1519 -29.7494 23.1519 -14.6283 GPRESSAVG: 661400 56.0163 0.121876 -31.2227 -0.0308962 -15.66 22.9294 -32.077 22.6648 -14.9591 TIMING: 661400 CPU: 1921.38, 0.0029388/step Wall: 1921.38, 0.0029388/step, 3.54174 hours remaining, 207.296875 MB of memory in use. ENERGY: 661400 750.5767 2087.4336 1955.9703 108.8118 -205932.9303 17756.9691 0.0000 0.0000 34015.0745 -149258.0943 297.0621 -183273.1688 -149168.4864 298.9328 -6.0820 31.2040 557563.0659 8.4592 8.4658 PRESSURE: 661600 220.82 107.44 -71.1819 107.44 144.59 37.1324 -71.1805 37.1315 -181.449 GPRESSURE: 661600 243.172 90.6608 -59.682 136.35 115.504 107.531 -23.1658 20.7924 -64.3421 PRESSAVG: 661600 103.019 -22.5407 -5.15119 -22.5408 12.8468 -53.2096 -5.15115 -53.2096 -81.8871 GPRESSAVG: 661600 102.856 -22.6045 -5.5041 -23.6197 12.6078 -52.3764 -3.79786 -53.3388 -81.2232 TIMING: 661600 CPU: 1921.96, 0.00291467/step Wall: 1921.96, 0.00291467/step, 3.5125 hours remaining, 207.296875 MB of memory in use. ENERGY: 661600 739.7400 2074.0940 1971.9699 117.3111 -206485.6096 17949.6164 0.0000 0.0000 34282.6385 -149350.2398 299.3988 -183632.8783 -149253.0915 298.9297 61.3205 98.1113 556371.1284 11.3263 11.4134 PRESSURE: 661800 -38.2023 2.1678 33.4176 2.16805 58.4854 -30.9295 33.4175 -30.9302 19.0603 GPRESSURE: 661800 17.0754 -6.42847 85.3045 -65.6868 92.5849 -75.1705 23.1079 -16.7839 13.8583 PRESSAVG: 661800 -1.05394 19.5268 53.1909 19.5268 -31.4675 -65.9166 53.1908 -65.9167 28.2439 GPRESSAVG: 661800 -1.53301 19.3177 52.4459 19.0062 -30.467 -67.3558 54.0263 -64.349 27.214 TIMING: 661800 CPU: 1922.55, 0.00291103/step Wall: 1922.55, 0.00291103/step, 3.50795 hours remaining, 207.296875 MB of memory in use. ENERGY: 661800 759.0177 2119.3031 1951.0389 112.1046 -206235.6962 17810.0779 0.0000 0.0000 34135.9840 -149348.1700 298.1180 -183484.1540 -149244.4090 299.1957 13.1145 41.1729 555654.8081 -1.4258 -1.5954 PRESSURE: 662000 -150.208 -51.5334 -5.58402 -51.5334 45.6687 -24.7615 -5.58363 -24.7637 -40.513 GPRESSURE: 662000 -93.0194 -22.4759 -15.4058 -94.6429 80.59 72.3966 39.7079 56.6742 -22.0953 PRESSAVG: 662000 -6.37765 23.9939 55.6819 23.9939 26.1207 -28.0719 55.682 -28.072 7.51211 GPRESSAVG: 662000 -6.04283 25.2746 53.1857 23.2459 26.0145 -28.169 58.4412 -29.642 7.13084 TIMING: 662000 CPU: 1923.13, 0.00290482/step Wall: 1923.13, 0.00290482/step, 3.50031 hours remaining, 207.296875 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: 662000 739.0266 2056.4224 1973.5789 114.4082 -206175.9354 17684.5464 0.0000 0.0000 34229.1689 -149378.7842 298.9318 -183607.9530 -149282.9650 299.2490 -48.3507 -11.5082 558293.5716 9.0851 9.0342 PRESSURE: 662200 -269.565 70.4767 -24.6838 70.4762 2.03937 44.8607 -24.684 44.8608 -285.818 GPRESSURE: 662200 -280.964 115.95 -97.9243 -49.9223 47.0617 17.1085 50.6901 110.32 -201.565 PRESSAVG: 662200 7.86731 41.2328 21.6438 41.2327 -23.3279 -8.42289 21.6438 -8.42292 -9.43663 GPRESSAVG: 662200 7.83957 41.5203 23.1622 40.487 -24.1787 -9.49866 20.4668 -7.78168 -8.10348 TIMING: 662200 CPU: 1923.71, 0.00291986/step Wall: 1923.71, 0.00291986/step, 3.51827 hours remaining, 207.296875 MB of memory in use. ENERGY: 662200 762.6736 2078.5067 1978.0873 107.2502 -206087.9298 17566.6040 0.0000 0.0000 34302.5434 -149292.2646 299.5726 -183594.8080 -149201.4548 298.3956 -184.4480 -145.1557 557072.5261 -8.2991 -8.1475 PRESSURE: 662400 175.076 -74.7134 21.6586 -74.713 496.051 38.8971 21.6576 38.897 7.95834 GPRESSURE: 662400 237.386 -40.8323 14.9794 -58.7418 456.339 55.5433 7.14001 51.7197 77.3419 PRESSAVG: 662400 -5.54334 -24.0743 -9.59266 -24.0743 -28.1634 -3.98238 -9.59269 -3.98228 -20.5234 GPRESSAVG: 662400 -5.49125 -23.5631 -8.90831 -24.306 -26.7249 -2.73368 -9.17877 -3.86345 -21.7104 TIMING: 662400 CPU: 1924.3, 0.002925/step Wall: 1924.3, 0.002925/step, 3.5243 hours remaining, 207.296875 MB of memory in use. ENERGY: 662400 733.0576 2137.9759 1975.3933 109.7091 -206438.8412 18104.9531 0.0000 0.0000 34160.7205 -149217.0317 298.3341 -183377.7522 -149123.2324 299.0573 226.3617 257.0224 555998.6697 -18.0767 -17.9755 PRESSURE: 662600 -294.45 68.0715 -77.5658 68.0725 78.6354 -52.7893 -77.5641 -52.7901 -18.8273 GPRESSURE: 662600 -234.486 63.3879 -53.9703 150.079 130.703 -91.8762 -29.3715 -20.7791 -32.3884 PRESSAVG: 662600 -25.0751 13.7559 -2.04795 13.7559 -0.785377 -15.3344 -2.04792 -15.3345 46.857 GPRESSAVG: 662600 -24.4831 12.0524 -0.355402 15.9708 -1.25521 -16.098 -3.24582 -15.8839 47.7522 TIMING: 662600 CPU: 1924.88, 0.00291427/step Wall: 1924.88, 0.00291427/step, 3.5112 hours remaining, 207.296875 MB of memory in use. ENERGY: 662600 753.2136 2060.9422 2004.6284 125.1405 -206052.2148 17761.3278 0.0000 0.0000 34070.9238 -149276.0385 297.5499 -183346.9623 -149181.7823 299.4308 -78.2141 -45.3905 556097.7191 6.9988 7.3380 PRESSURE: 662800 -263.283 -140.938 -142.269 -140.937 -20.7052 41.8876 -142.269 41.8877 -63.2641 GPRESSURE: 662800 -258.268 -126.553 -159.744 -91.7201 36.2351 67.5516 -114.717 -44.9723 -11.3637 PRESSAVG: 662800 23.9174 -23.3108 -56.1424 -23.3108 -19.8342 -3.86333 -56.1424 -3.86341 -17.299 GPRESSAVG: 662800 24.8431 -22.1272 -56.028 -26.0876 -21.2127 -3.13162 -58.0898 -2.24903 -16.6781 TIMING: 662800 CPU: 1925.46, 0.00289934/step Wall: 1925.46, 0.00289934/step, 3.49306 hours remaining, 207.296875 MB of memory in use. ENERGY: 662800 727.9324 2115.7768 1968.7786 112.1716 -206516.3726 17799.7176 0.0000 0.0000 34523.4594 -149268.5361 301.5020 -183791.9955 -149170.0442 299.8267 -115.7507 -77.7988 558799.1325 -4.4053 -4.3492 PRESSURE: 663000 281.523 -27.6948 -96.8931 -27.6948 11.2267 -260.378 -96.8931 -260.378 -74.0996 GPRESSURE: 663000 307.746 -18.0812 -98.0522 20.8796 6.86999 -262.558 -120.483 -244.32 4.83259 PRESSAVG: 663000 -23.3469 -36.0744 -22.783 -36.0743 -6.8801 -13.6926 -22.783 -13.6928 14.6895 GPRESSAVG: 663000 -24.7094 -37.8952 -23.96 -34.4471 -6.67142 -13.4788 -19.964 -12.9795 15.9518 TIMING: 663000 CPU: 1926.04, 0.00291535/step Wall: 1926.04, 0.00291535/step, 3.51219 hours remaining, 207.296875 MB of memory in use. ENERGY: 663000 774.9451 2131.1659 1980.4744 116.3219 -206508.5681 18073.3089 0.0000 0.0000 34189.1306 -149243.2212 298.5822 -183432.3518 -149147.8389 299.9369 72.8834 106.4827 556608.7436 -5.1792 -5.1430 PRESSURE: 663200 3.35955 -110.956 -19.6877 -110.956 -287.686 84.0339 -19.6888 84.0359 -4.99985 GPRESSURE: 663200 2.42178 -78.0606 65.5131 -111.643 -247.072 95.3523 -43.5832 -7.85888 56.2015 PRESSAVG: 663200 20.1213 -30.9454 1.1777 -30.9455 -24.9776 1.09474 1.1777 1.09461 16.2322 GPRESSAVG: 663200 19.9017 -28.6566 -0.343408 -31.2245 -23.5426 0.539259 2.09006 -0.696549 14.5895 TIMING: 663200 CPU: 1926.62, 0.00289732/step Wall: 1926.62, 0.00289732/step, 3.49031 hours remaining, 207.296875 MB of memory in use. ENERGY: 663200 774.1895 2122.6437 1996.6138 115.6146 -206444.9414 17994.0248 0.0000 0.0000 34144.6552 -149297.1998 298.1938 -183441.8550 -149203.4522 299.7230 -96.4421 -62.8164 557319.3021 3.7919 3.6495 PRESSURE: 663400 71.0496 -143.514 -24.4957 -143.515 -214.203 -12.72 -24.4958 -12.7193 -216.322 GPRESSURE: 663400 150.949 -162.259 -88.882 -185.855 -234.888 -35.7259 -84.9918 -90.9307 -163.274 PRESSAVG: 663400 47.4944 -21.795 -41.6412 -21.795 -39.2961 -33.6342 -41.6412 -33.6343 13.3483 GPRESSAVG: 663400 49.0008 -20.1085 -38.5015 -22.9417 -42.247 -33.6843 -43.7114 -32.152 15.6498 TIMING: 663400 CPU: 1927.2, 0.00289936/step Wall: 1927.2, 0.00289936/step, 3.4926 hours remaining, 207.296875 MB of memory in use. ENERGY: 663400 763.8923 2110.0632 1975.4705 110.9762 -206401.6733 17979.7167 0.0000 0.0000 34132.5697 -149328.9847 298.0882 -183461.5544 -149241.8396 299.8212 -119.8249 -82.4043 557484.1051 7.1822 7.4679 PRESSURE: 663600 -177.497 -86.8622 -195.448 -86.8628 -51.305 -66.8838 -195.448 -66.8846 -118.254 GPRESSURE: 663600 -116.502 -46.0153 -171.128 -64.6283 -29.5338 -75.7672 -190.708 -18.6909 -102.61 PRESSAVG: 663600 64.185 31.7546 -22.1778 31.7546 -58.9459 1.65651 -22.1778 1.6564 3.43927 GPRESSAVG: 663600 64.0158 27.9115 -23.583 34.1632 -57.9037 0.905735 -21.2451 1.23607 2.88477 TIMING: 663600 CPU: 1927.78, 0.00290827/step Wall: 1927.78, 0.00290827/step, 3.50318 hours remaining, 207.296875 MB of memory in use. ENERGY: 663600 743.7521 2098.5246 2002.0195 122.5099 -206273.2771 17762.2455 0.0000 0.0000 34099.9210 -149444.3046 297.8031 -183544.2255 -149347.4442 299.2464 -115.6855 -82.8819 556808.9402 2.8928 2.9990 PRESSURE: 663800 145.261 284.79 -23.7689 284.789 274.474 -61.1235 -23.7691 -61.1252 45.9628 GPRESSURE: 663800 190.854 235.271 16.498 244.365 281.128 -45.1877 -62.2627 -84.9324 85.9825 PRESSAVG: 663800 -20.8917 44.2772 -29.2582 44.2772 36.5283 -23.2634 -29.2582 -23.2633 -10.418 GPRESSAVG: 663800 -20.9804 43.617 -29.2756 43.9086 37.4709 -21.6944 -29.2088 -22.5686 -11.0068 TIMING: 663800 CPU: 1928.36, 0.00289078/step Wall: 1928.36, 0.00289078/step, 3.48195 hours remaining, 207.296875 MB of memory in use. ENERGY: 663800 747.5977 2119.5498 1985.7406 112.2807 -206852.7596 18220.1816 0.0000 0.0000 34331.5797 -149335.8296 299.8262 -183667.4093 -149243.3555 299.0696 155.2326 185.9882 556644.0471 1.7395 1.8279 PRESSURE: 664000 23.4291 127.248 -27.6506 127.246 30.7044 166.339 -27.6508 166.339 -176.407 GPRESSURE: 664000 21.516 125.294 20.8436 95.3481 -11.2306 143.668 -101.615 158.079 -44.4677 PRESSAVG: 664000 8.86519 71.5492 1.25027 71.5493 -57.4769 -10.9676 1.25028 -10.9676 7.54921 GPRESSAVG: 664000 8.8417 73.7561 1.09818 70.3669 -57.5517 -10.5048 1.2115 -10.6412 7.57501 TIMING: 664000 CPU: 1928.94, 0.00288279/step Wall: 1928.94, 0.00288279/step, 3.47216 hours remaining, 207.296875 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: 664000 739.5949 2116.5942 1981.9361 116.3699 -206031.5078 17723.9908 0.0000 0.0000 34052.4409 -149300.5809 297.3884 -183353.0219 -149208.3700 298.9599 -40.7580 -11.3941 558081.7754 -13.6875 -13.7117 PRESSURE: 664200 -212.662 -79.1086 15.4873 -79.1078 -249.556 241.412 15.4854 241.411 -22.1471 GPRESSURE: 664200 -177.364 -18.8184 28.9363 -157.002 -198.311 190.808 31.3727 240.986 -5.14585 PRESSAVG: 664200 -36.0075 35.6066 -1.25656 35.6065 -25.976 0.782506 -1.25655 0.782609 25.5871 GPRESSAVG: 664200 -37.1351 33.9097 -1.58978 34.9797 -26.1033 0.00551821 -0.692635 -0.263092 26.391 TIMING: 664200 CPU: 1929.52, 0.00291515/step Wall: 1929.52, 0.00291515/step, 3.51097 hours remaining, 207.296875 MB of memory in use. ENERGY: 664200 760.7723 2133.7825 1977.5711 116.1561 -206512.4373 17973.1969 0.0000 0.0000 34299.2342 -149251.7241 299.5437 -183550.9583 -149160.4068 299.4435 -161.4550 -126.9403 557208.6418 -12.1321 -12.2825 LDB: ============= START OF LOAD BALANCING ============== 1932.99 LDB: ============== END OF LOAD BALANCING =============== 1932.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1932.99 LDB: ============= START OF LOAD BALANCING ============== 1933.28 LDB: Largest compute 4827 load 0.027765 is 23.6% of average load 0.117512 LDB: Average compute 0.001738 is 1.5% of average load 0.117512 LDB: TIME 1933.28 LOAD: AVG 0.117512 MAX 0.177684 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.496 MB LDB: TIME 1933.28 LOAD: AVG 0.117512 MAX 0.177684 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: TIME 1933.28 LOAD: AVG 0.117512 MAX 0.177684 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: ============== END OF LOAD BALANCING =============== 1933.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1933.29 PRESSURE: 664400 35.2158 19.9086 -133.691 19.9094 -190.088 -49.4758 -133.69 -49.4752 -199.272 GPRESSURE: 664400 39.4026 -31.1663 -244.038 -3.70774 -152.318 -101.485 -78.2708 33.3249 -152.931 PRESSAVG: 664400 -16.674 11.3838 45.9092 11.3838 75.8504 -52.9109 45.9092 -52.9109 -40.3012 GPRESSAVG: 664400 -15.8939 12.3946 46.8057 12.9223 76.0113 -50.5938 44.5159 -55.1165 -40.7708 TIMING: 664400 CPU: 1930.11, 0.002954/step Wall: 1930.11, 0.002954/step, 3.5576 hours remaining, 204.277344 MB of memory in use. ENERGY: 664400 794.4862 2087.8835 1974.3796 108.1387 -206306.7533 17921.3379 0.0000 0.0000 34087.6883 -149332.8392 297.6963 -183420.5275 -149243.9583 298.5555 -118.0481 -88.6155 558225.1932 6.2918 6.4489 PRESSURE: 664600 -199.105 -78.7846 -71.8762 -78.7845 -279.939 -6.12588 -71.8761 -6.12671 -162.74 GPRESSURE: 664600 -157.644 -33.8552 -75.6001 -122.758 -281.299 -3.29441 -94.5431 0.517906 -109.488 PRESSAVG: 664600 -14.4511 36.3856 -52.1038 36.3855 -32.6954 -64.8715 -52.1037 -64.8714 32.0075 GPRESSAVG: 664600 -13.9696 35.8217 -52.9243 34.4618 -32.5718 -64.1272 -52.5187 -63.8797 31.7912 TIMING: 664600 CPU: 1930.69, 0.00289459/step Wall: 1930.69, 0.00289459/step, 3.48589 hours remaining, 204.328125 MB of memory in use. ENERGY: 664600 735.8778 2084.1634 1969.0184 115.0101 -205721.3488 17470.3561 0.0000 0.0000 34053.9698 -149292.9534 297.4018 -183346.9232 -149192.4564 298.2956 -213.9279 -182.8103 558904.3350 -5.0463 -4.9167 PRESSURE: 664800 84.8597 147.445 -33.4213 147.445 18.5103 64.7992 -33.4215 64.7983 64.1151 GPRESSURE: 664800 160.825 171.005 -38.5292 159.654 11.9727 158.951 -23.8658 50.1093 88.8156 PRESSAVG: 664800 -8.354 -6.66624 -48.7997 -6.66619 -13.6581 93.3164 -48.7998 93.3166 33.3341 GPRESSAVG: 664800 -8.54191 -4.83384 -49.2674 -6.08603 -13.8208 91.0749 -47.8785 93.3819 33.5311 TIMING: 664800 CPU: 1931.27, 0.00292287/step Wall: 1931.27, 0.00292287/step, 3.51979 hours remaining, 204.328125 MB of memory in use. ENERGY: 664800 783.4864 2098.6997 1943.6327 109.0342 -206769.2543 18166.8073 0.0000 0.0000 34260.9374 -149406.6566 299.2093 -183667.5940 -149306.4937 298.6410 55.8284 87.2045 556473.7363 3.7740 3.7228 PRESSURE: 665000 28.9967 5.64638 -121.37 5.64733 140.934 129.907 -121.37 129.908 95.7513 GPRESSURE: 665000 10.5969 1.17344 -173.94 81.3677 209.937 82.8297 -68.2189 94.1192 133.808 PRESSAVG: 665000 21.2092 -14.8913 -55.5322 -14.8912 -40.9256 3.88922 -55.5322 3.88909 -16.2001 GPRESSAVG: 665000 20.6146 -16.8808 -54.2601 -14.9883 -39.8962 3.06783 -54.0436 3.54144 -17.4859 TIMING: 665000 CPU: 1931.86, 0.00292386/step Wall: 1931.86, 0.00292386/step, 3.52082 hours remaining, 204.328125 MB of memory in use. ENERGY: 665000 773.7112 2159.2358 1959.2090 110.4387 -206761.1891 18047.5096 0.0000 0.0000 34052.7534 -149658.3313 297.3912 -183711.0847 -149559.0987 298.7160 88.5605 118.1140 556491.0966 -11.9721 -12.2558 PRESSURE: 665200 363.738 -289.043 18.1957 -289.043 6.18826 1.71463 18.1969 1.71536 8.4413 GPRESSURE: 665200 396.054 -317.481 161.564 -201.457 67.0384 2.58577 -90.2017 21.9164 18.025 PRESSAVG: 665200 -0.847938 -23.5646 58.6541 -23.5646 -14.833 34.2505 58.6542 34.2505 3.47148 GPRESSAVG: 665200 -0.278785 -22.0973 58.9706 -23.7898 -15.8484 33.7223 57.172 35.9526 3.10944 TIMING: 665200 CPU: 1932.44, 0.00292519/step Wall: 1932.44, 0.00292519/step, 3.52226 hours remaining, 204.414062 MB of memory in use. ENERGY: 665200 729.6194 2109.8286 1982.7423 105.3661 -206796.8507 18032.9011 0.0000 0.0000 34328.7214 -149507.6719 299.8013 -183836.3933 -149403.6840 298.4494 126.1225 160.3726 555958.9710 -4.0698 -4.3393 PRESSURE: 665400 -113.3 -0.180009 30.6343 -0.179969 -148.729 57.9129 30.6354 57.9134 -170.496 GPRESSURE: 665400 -85.7726 -13.7571 38.8033 102.919 -78.6332 7.16106 57.6943 82.0926 -155.32 PRESSAVG: 665400 -24.3987 35.8608 -9.0469 35.8609 110.7 86.0748 -9.04685 86.0748 -64.3461 GPRESSAVG: 665400 -25.3888 36.8247 -10.4638 35.4213 110.725 86.3719 -8.6109 85.8183 -63.8247 TIMING: 665400 CPU: 1933.03, 0.00294179/step Wall: 1933.03, 0.00294179/step, 3.54208 hours remaining, 204.414062 MB of memory in use. ENERGY: 665400 772.3150 2124.1428 1942.6491 103.5553 -206247.9585 17693.3838 0.0000 0.0000 34064.9213 -149546.9911 297.4974 -183611.9124 -149461.1743 298.5555 -144.1751 -106.5753 557572.8360 7.3184 7.1704 PRESSURE: 665600 -7.79795 -106.502 127.458 -106.503 202.752 -104.677 127.458 -104.678 -226.139 GPRESSURE: 665600 77.1931 -52.201 180.258 -131.192 222.793 -193.704 66.189 -141.638 -241.235 PRESSAVG: 665600 -47.1655 30.2841 30.586 30.2841 77.1263 31.8311 30.586 31.8311 -40.4842 GPRESSAVG: 665600 -47.5346 30.1025 29.1741 29.0545 76.993 31.9397 30.454 29.8826 -39.9621 TIMING: 665600 CPU: 1933.61, 0.00290913/step Wall: 1933.61, 0.00290913/step, 3.5026 hours remaining, 204.414062 MB of memory in use. ENERGY: 665600 754.1135 2136.3494 1957.4831 112.4674 -206713.6545 18006.9450 0.0000 0.0000 34341.6582 -149404.6379 299.9142 -183746.2961 -149307.8105 298.4183 -10.3948 19.5838 557338.9151 -3.5078 -3.5012 PRESSURE: 665800 449.429 -38.3413 -166.614 -38.3412 52.1068 -65.4523 -166.613 -65.4525 -110.889 GPRESSURE: 665800 448.142 3.93225 -143 -131.097 114.943 -41.3368 -127.471 -6.26743 -78.2632 PRESSAVG: 665800 47.4885 -11.2707 1.01755 -11.2707 -11.3078 17.093 1.01753 17.0929 -15.8711 GPRESSAVG: 665800 48.4283 -11.977 2.86075 -10.3553 -11.7165 15.3353 0.810548 20.4953 -15.9701 TIMING: 665800 CPU: 1934.2, 0.00290728/step Wall: 1934.2, 0.00290728/step, 3.5002 hours remaining, 204.414062 MB of memory in use. ENERGY: 665800 732.7667 2054.6205 1976.4774 113.7348 -206403.9048 18000.3025 0.0000 0.0000 34229.7345 -149296.2684 298.9368 -183526.0029 -149201.5845 299.0883 130.2156 161.6072 556788.4160 6.7699 6.9139 PRESSURE: 666000 -152.358 -117.869 40.2702 -117.868 -158.346 75.0134 40.2711 75.0139 -212.791 GPRESSURE: 666000 -110.199 -151.551 9.60355 -141.744 -121.605 64.8537 62.6367 28.567 -193.317 PRESSAVG: 666000 9.1685 25.8402 19.0666 25.8402 -36.1374 7.5331 19.0666 7.53307 4.03706 GPRESSAVG: 666000 9.2673 25.2471 18.0443 27.3181 -36.466 8.94941 20.3779 4.13107 4.57862 TIMING: 666000 CPU: 1934.77, 0.00289272/step Wall: 1934.77, 0.00289272/step, 3.48252 hours remaining, 204.414062 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: 666000 779.4420 2068.9403 2000.2317 124.8689 -206103.1673 17558.2581 0.0000 0.0000 34216.3957 -149355.0305 298.8203 -183571.4262 -149249.9053 299.1161 -174.4986 -141.7070 557072.7846 -7.6439 -7.5400 PRESSURE: 666200 60.7245 -120.869 55.4208 -120.868 98.3632 -102.752 55.4206 -102.753 -225.292 GPRESSURE: 666200 116.937 -117.882 21.4239 -78.94 61.886 -48.4037 3.95543 -81.737 -145.139 PRESSAVG: 666200 10.1904 34.5427 -30.1817 34.5427 18.1875 -8.73855 -30.1816 -8.73848 -43.9329 GPRESSAVG: 666200 10.1562 34.5515 -30.0106 34.8716 18.3132 -8.60928 -31.8699 -7.52155 -43.538 TIMING: 666200 CPU: 1935.35, 0.00289363/step Wall: 1935.35, 0.00289363/step, 3.48345 hours remaining, 204.414062 MB of memory in use. ENERGY: 666200 738.8389 2106.8061 1969.9773 112.8107 -206348.9026 17903.3481 0.0000 0.0000 34177.5583 -149339.5632 298.4811 -183517.1215 -149244.1898 299.4093 -22.0682 11.2280 556888.3514 -5.1850 -5.0229 PRESSURE: 666400 193.101 -115.005 64.9059 -115.003 226.31 130.074 64.9061 130.076 156.484 GPRESSURE: 666400 177.979 -182.921 -56.9105 -110.988 306.412 187.404 71.0978 96.4185 195.547 PRESSAVG: 666400 -5.68873 25.5624 -17.8459 25.5623 53.2245 -30.459 -17.8459 -30.4591 -8.93325 GPRESSAVG: 666400 -5.76195 25.9572 -17.6671 24.9922 54.4437 -29.6616 -16.1079 -30.3698 -9.80867 TIMING: 666400 CPU: 1935.94, 0.00291268/step Wall: 1935.94, 0.00291268/step, 3.50622 hours remaining, 204.414062 MB of memory in use. ENERGY: 666400 735.9507 2085.7351 1966.6632 116.2522 -206670.8683 18170.2221 0.0000 0.0000 34202.3168 -149393.7283 298.6973 -183596.0451 -149293.4017 298.6680 191.9651 226.6462 557330.2654 12.8675 12.9577 PRESSURE: 666600 -182.208 45.2089 30.5995 45.2094 -242.723 -205.967 30.5979 -205.967 -192.27 GPRESSURE: 666600 -142.759 53.4688 90.9186 60.7512 -198.772 -221.152 107.277 -180.066 -172.507 PRESSAVG: 666600 -104.278 10.6703 18.0657 10.6703 45.5514 3.99003 18.0656 3.99002 40.9631 GPRESSAVG: 666600 -103.324 10.0132 17.4742 10.4519 44.8746 2.47422 17.1768 3.55599 40.4912 TIMING: 666600 CPU: 1936.52, 0.00291513/step Wall: 1936.52, 0.00291513/step, 3.50901 hours remaining, 204.414062 MB of memory in use. ENERGY: 666600 720.4362 2115.3922 1990.5169 120.4134 -206203.2887 17726.5197 0.0000 0.0000 34167.8730 -149362.1374 298.3965 -183530.0104 -149260.7901 299.1136 -205.7334 -171.3461 558483.0422 -5.9210 -5.9861 PRESSURE: 666800 -130.729 -172.269 -214.799 -172.268 -194.765 86.8176 -214.799 86.8164 -163.592 GPRESSURE: 666800 -78.8201 -193.878 -301.737 -181.286 -180.596 50.0311 -144.733 155.351 -123.767 PRESSAVG: 666800 -19.0433 65.3579 21.3141 65.358 4.93592 6.00782 21.314 6.00789 10.6278 GPRESSAVG: 666800 -20.3754 64.9875 22.6135 65.3571 4.60856 6.35399 20.8948 6.644 11.785 TIMING: 666800 CPU: 1937.1, 0.00292426/step Wall: 1937.1, 0.00292426/step, 3.51983 hours remaining, 204.414062 MB of memory in use. ENERGY: 666800 736.2539 2121.6703 1972.9980 124.3135 -205841.3336 17421.7248 0.0000 0.0000 34367.5805 -149096.7926 300.1406 -183464.3731 -149000.0744 299.4660 -163.0287 -127.7276 556621.5122 -1.1598 -1.3273 PRESSURE: 667000 -509.691 9.98294 -29.2037 9.98307 -59.8592 57.0944 -29.2059 57.0945 -91.6115 GPRESSURE: 667000 -525.72 -19.8028 31.388 20.109 2.41242 85.821 -48.5471 74.5775 -43.0521 PRESSAVG: 667000 10.532 -17.9269 1.95398 -17.927 50.4839 24.2896 1.95401 24.2895 11.4972 GPRESSAVG: 667000 11.2098 -15.3179 1.61766 -19.0189 50.4556 25.5545 2.33896 24.3583 10.6282 TIMING: 667000 CPU: 1937.69, 0.00294291/step Wall: 1937.69, 0.00294291/step, 3.54211 hours remaining, 204.414062 MB of memory in use. ENERGY: 667000 769.3814 2125.2471 1972.3979 119.5215 -206104.7307 17682.8553 0.0000 0.0000 34270.1667 -149165.1607 299.2899 -183435.3274 -149068.0113 299.8986 -220.3874 -188.7865 557333.6845 24.1711 24.0978 PRESSURE: 667200 -4.956 61.8131 -228.683 61.8122 -239.558 61.0234 -228.684 61.0232 -360.627 GPRESSURE: 667200 83.1251 56.161 -205.51 -86.2415 -224.725 130.858 -168.697 44.5904 -379.552 PRESSAVG: 667200 25.855 -9.8961 -50.9757 -9.89609 3.34316 24.2325 -50.9757 24.2323 -17.7228 GPRESSAVG: 667200 25.8192 -10.5231 -51.8931 -10.8132 3.09975 22.3333 -49.4814 22.4038 -17.6115 TIMING: 667200 CPU: 1938.27, 0.00291323/step Wall: 1938.27, 0.00291323/step, 3.50623 hours remaining, 204.414062 MB of memory in use. ENERGY: 667200 749.2615 2097.2565 1974.3985 109.9201 -205840.4420 17460.8919 0.0000 0.0000 34330.3819 -149118.3315 299.8158 -183448.7134 -149027.4412 299.6027 -201.7137 -173.7171 557406.1226 3.8251 3.7691 PRESSURE: 667400 -49.7621 121.369 -69.9006 121.368 -376.152 17.0245 -69.9 17.0246 -280.021 GPRESSURE: 667400 -50.4893 19.2093 1.82135 129.8 -345.333 72.486 -76.6554 33.8121 -227.578 PRESSAVG: 667400 41.3764 -11.5082 -34.8918 -11.5082 3.52682 22.2962 -34.8917 22.2961 -43.851 GPRESSAVG: 667400 40.6982 -11.3676 -34.4733 -10.6123 4.70171 24.7345 -37.5353 21.6247 -44.2522 TIMING: 667400 CPU: 1938.86, 0.00291963/step Wall: 1938.86, 0.00291963/step, 3.51377 hours remaining, 204.414062 MB of memory in use. ENERGY: 667400 735.7973 2168.8809 2005.2315 100.9532 -205724.9795 17318.0216 0.0000 0.0000 34202.3942 -149193.7008 298.6980 -183396.0949 -149101.5363 299.4617 -235.3115 -207.7999 557607.8095 0.3508 0.3826 PRESSURE: 667600 52.3913 -55.1385 15.7092 -55.1405 -58.7505 -154.203 15.7104 -154.203 15.3177 GPRESSURE: 667600 155.326 -63.105 -40.2882 -43.1733 -72.0836 -104.988 33.4028 -139.897 24.2761 PRESSAVG: 667600 11.9502 3.26446 19.1714 3.26443 -23.6949 25.3305 19.1714 25.3306 -13.4121 GPRESSAVG: 667600 13.1797 2.28714 19.3794 4.84073 -24.1875 23.0006 20.0661 27.7862 -14.3017 TIMING: 667600 CPU: 1939.45, 0.00293448/step Wall: 1939.45, 0.00293448/step, 3.53149 hours remaining, 204.414062 MB of memory in use. ENERGY: 667600 717.0237 2154.3677 1944.5074 104.8713 -205883.8847 17748.6302 0.0000 0.0000 34190.3746 -149024.1098 298.5930 -183214.4843 -148923.9770 299.7698 2.9862 35.8396 556856.6104 -8.3856 -8.4365 PRESSURE: 667800 -168.279 64.5751 69.3091 64.5759 35.0512 18.0293 69.3094 18.0292 -122.601 GPRESSURE: 667800 -104.98 9.73575 -45.6719 5.32984 49.8969 24.8986 69.2876 3.75681 -110.518 PRESSAVG: 667800 9.68075 -20.9395 72.9828 -20.9396 11.2973 -2.43735 72.9828 -2.43733 -60.8847 GPRESSAVG: 667800 9.27387 -20.0365 70.2286 -19.3493 10.7815 -1.26492 73.6908 -2.71346 -60.5379 TIMING: 667800 CPU: 1940.03, 0.00293122/step Wall: 1940.03, 0.00293122/step, 3.52739 hours remaining, 204.414062 MB of memory in use. ENERGY: 667800 750.2893 2105.5168 1973.5159 115.0455 -206082.9936 17728.0730 0.0000 0.0000 34235.2021 -149175.3510 298.9845 -183410.5531 -149084.2164 299.7415 -85.2763 -55.2004 556751.8542 -13.3022 -13.4942 PRESSURE: 668000 59.4763 -90.6603 -30.7323 -90.6598 305.775 168.321 -30.7327 168.321 -124.047 GPRESSURE: 668000 81.7159 -153.456 -131.825 -78.8918 357.308 119.345 85.8631 108.652 -105.993 PRESSAVG: 668000 -11.0379 15.906 21.7037 15.9059 56.4704 52.414 21.7037 52.4139 -38.7289 GPRESSAVG: 668000 -10.8568 15.2428 25.3028 15.0557 56.3205 50.9284 20.9658 52.2291 -38.5935 TIMING: 668000 CPU: 1940.62, 0.00293219/step Wall: 1940.62, 0.00293219/step, 3.5284 hours remaining, 204.414062 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: 668000 742.4636 2016.8447 1986.9144 111.9495 -206315.8973 17822.9744 0.0000 0.0000 34380.5345 -149254.2162 300.2538 -183634.7507 -149158.5773 298.8222 80.4016 111.0103 555722.9233 2.2346 2.2901 PRESSURE: 668200 111.391 40.9953 67.1486 40.9935 310.873 -160.086 67.1472 -160.086 16.0779 GPRESSURE: 668200 155.49 -49.9175 48.3122 115.586 308.786 -227.298 90.7973 -85.578 46.5322 PRESSAVG: 668200 -22.1856 68.8048 -29.4188 68.8048 27.6436 4.2472 -29.4189 4.24723 -34.1484 GPRESSAVG: 668200 -22.9486 70.1057 -32.4558 65.9968 27.1776 6.76612 -27.41 4.05842 -32.4577 TIMING: 668200 CPU: 1941.2, 0.00292701/step Wall: 1941.2, 0.00292701/step, 3.52201 hours remaining, 204.414062 MB of memory in use. ENERGY: 668200 704.5150 2110.6260 1972.6000 115.3578 -205606.5989 17624.5476 0.0000 0.0000 34139.4673 -148939.4853 298.1485 -183078.9526 -148844.2337 299.5607 146.1139 170.2695 556494.7713 -9.5635 -9.4096 LDB: ============= START OF LOAD BALANCING ============== 1944.67 LDB: ============== END OF LOAD BALANCING =============== 1944.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1944.67 LDB: ============= START OF LOAD BALANCING ============== 1944.96 LDB: Largest compute 4827 load 0.027556 is 23.5% of average load 0.117463 LDB: Average compute 0.001735 is 1.5% of average load 0.117463 LDB: TIME 1944.97 LOAD: AVG 0.117463 MAX 0.180209 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.012 MB LDB: TIME 1944.97 LOAD: AVG 0.117463 MAX 0.180209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.012 MB LDB: TIME 1944.97 LOAD: AVG 0.117463 MAX 0.180209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1944.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1944.97 PRESSURE: 668400 135.016 22.7905 -89.0103 22.7899 -247.641 6.50897 -89.0106 6.51031 -200.351 GPRESSURE: 668400 130.768 45.9642 -106.179 47.9295 -189.157 -69.3123 -107.056 20.4555 -152.878 PRESSAVG: 668400 -6.54376 34.9433 -6.27791 34.9432 -7.69523 -7.26395 -6.27797 -7.26388 9.17839 GPRESSAVG: 668400 -6.27945 33.7368 -4.42211 38.2465 -7.62216 -9.16607 -7.80013 -6.75554 8.85969 TIMING: 668400 CPU: 1941.8, 0.0029691/step Wall: 1941.8, 0.0029691/step, 3.57249 hours remaining, 205.339844 MB of memory in use. ENERGY: 668400 739.3039 2132.6586 1972.0236 110.6342 -205646.4462 17409.7860 0.0000 0.0000 34397.6518 -148884.3882 300.4032 -183282.0400 -148786.6195 300.0747 -104.3252 -70.4224 557351.4768 -1.6869 -1.6806 PRESSURE: 668600 182.219 -108.119 -97.155 -108.122 -62.6074 120.144 -97.1553 120.144 90.8782 GPRESSURE: 668600 239.902 -148.078 -110.749 -32.5192 3.46014 29.7031 -122.892 187.279 69.7952 PRESSAVG: 668600 -9.58748 -2.99047 -20.9881 -2.99044 11.3613 29.8215 -20.988 29.8215 0.0214803 GPRESSAVG: 668600 -9.54603 -3.74857 -21.8731 -2.77925 11.2516 31.1261 -21.1461 29.5828 -0.0320319 TIMING: 668600 CPU: 1942.39, 0.00294642/step Wall: 1942.39, 0.00294642/step, 3.54504 hours remaining, 205.347656 MB of memory in use. ENERGY: 668600 717.5740 2078.7987 1988.1610 113.7906 -206001.0953 17883.5652 0.0000 0.0000 34366.5774 -148852.6283 300.1319 -183219.2058 -148752.6033 300.6577 70.1633 104.3857 558050.6703 0.5984 0.5579 PRESSURE: 668800 -359.032 139.679 -43.5634 139.68 207.015 37.3042 -43.5629 37.304 -206.244 GPRESSURE: 668800 -314.351 133.072 28.9413 135.217 273.82 58.0097 -38.4764 21.9294 -214.87 PRESSAVG: 668800 1.64657 -22.1721 31.8816 -22.1721 15.1442 10.6411 31.8816 10.6411 -24.896 GPRESSAVG: 668800 0.25503 -21.5201 30.7898 -23.0876 16.1081 11.5774 33.4357 9.29917 -24.4149 TIMING: 668800 CPU: 1942.97, 0.00293825/step Wall: 1942.97, 0.00293825/step, 3.53504 hours remaining, 205.347656 MB of memory in use. ENERGY: 668800 749.3482 2088.5866 1976.8224 109.1278 -205845.5764 17653.5870 0.0000 0.0000 34220.4588 -149047.6456 298.8558 -183268.1044 -148955.4686 299.9282 -119.4203 -85.1338 558988.4950 -2.7018 -2.6839 PRESSURE: 669000 -96.3483 -49.6788 150.247 -49.679 -229.368 -115.844 150.246 -115.843 30.555 GPRESSURE: 669000 -57.679 -10.8265 29.0882 -117.805 -178.954 -138.952 234.639 -123.133 37.7995 PRESSAVG: 669000 -40.0818 -5.95198 -53.3267 -5.95185 22.146 -10.613 -53.3266 -10.613 -2.0972 GPRESSAVG: 669000 -39.3475 -5.97723 -49.8022 -6.80558 22.1759 -11.5876 -54.4486 -8.61719 -2.59864 TIMING: 669000 CPU: 1943.56, 0.00293019/step Wall: 1943.56, 0.00293019/step, 3.52518 hours remaining, 205.347656 MB of memory in use. ENERGY: 669000 713.3184 2116.8487 1991.6250 113.9168 -206260.1023 17675.3135 0.0000 0.0000 34604.9937 -149044.0861 302.2140 -183649.0798 -148943.5372 299.6891 -98.3870 -66.2777 557192.1372 -6.6776 -6.5901 PRESSURE: 669200 148.938 66.9268 82.2285 66.9268 -36.2757 26.3126 82.229 26.3119 162.225 GPRESSURE: 669200 142.183 39.6784 145.38 77.4786 21.9413 -7.50199 29.0575 21.7867 204.569 PRESSAVG: 669200 -37.2487 -7.45167 -30.6127 -7.45169 28.8509 -1.24211 -30.6127 -1.24204 16.5191 GPRESSAVG: 669200 -37.5025 -6.48292 -32.0387 -7.38871 29.2208 -0.263917 -29.5097 -2.46712 16.7572 TIMING: 669200 CPU: 1944.15, 0.00294351/step Wall: 1944.15, 0.00294351/step, 3.54105 hours remaining, 205.503906 MB of memory in use. ENERGY: 669200 706.3915 2104.8077 1981.8073 113.4074 -206323.7272 17940.2670 0.0000 0.0000 34288.0194 -149189.0269 299.4458 -183477.0462 -149091.4870 299.3624 91.6290 122.8978 557684.4022 2.7071 2.8252 PRESSURE: 669400 -240.133 210.368 -78.0154 210.369 -48.231 -161.458 -78.0159 -161.458 54.7709 GPRESSURE: 669400 -200.59 216.9 -47.5649 132.58 -37.5617 -151.698 -135.581 -80.7978 100.89 PRESSAVG: 669400 -19.9421 12.8757 -0.268316 12.8757 38.2412 17.0505 -0.268305 17.0506 28.1645 GPRESSAVG: 669400 -18.435 13.3671 -1.54745 13.5976 36.1153 15.2211 -1.09516 16.8534 28.5223 TIMING: 669400 CPU: 1944.74, 0.0029461/step Wall: 1944.74, 0.0029461/step, 3.544 hours remaining, 205.503906 MB of memory in use. ENERGY: 669400 751.2649 2065.7858 1952.3631 108.5491 -206398.8115 17858.7585 0.0000 0.0000 34342.2095 -149319.8806 299.9191 -183662.0901 -149217.1051 298.7425 -77.8644 -45.7539 557227.8615 15.4879 15.4009 PRESSURE: 669600 102.6 89.5811 51.1255 89.5808 146.785 141.841 51.1258 141.841 147.581 GPRESSURE: 669600 58.3438 79.8834 -98.3506 52.3167 229.969 133.882 191.78 158.61 208.802 PRESSAVG: 669600 -41.2949 15.3766 -27.0885 15.3766 48.9489 7.7938 -27.0886 7.79369 -8.26652 GPRESSAVG: 669600 -42.6987 14.0317 -26.9663 14.4535 52.0052 8.57625 -27.309 8.69947 -9.48653 TIMING: 669600 CPU: 1945.32, 0.00291423/step Wall: 1945.32, 0.00291423/step, 3.5055 hours remaining, 205.503906 MB of memory in use. ENERGY: 669600 750.8008 2029.3725 1971.4977 124.7206 -206566.6724 18075.2349 0.0000 0.0000 34219.9582 -149395.0877 298.8514 -183615.0459 -149297.6163 299.0891 132.3222 165.7049 556908.1695 -0.2042 -0.0600 PRESSURE: 669800 177.479 -26.177 33.0743 -26.1773 332.145 47.4879 33.0753 47.4894 49.3776 GPRESSURE: 669800 178.691 -36.5087 156.732 -74.2863 335.72 -70.474 24.7416 38.482 135.802 PRESSAVG: 669800 59.4711 -19.5492 -9.80835 -19.5491 22.2684 -14.9965 -9.80833 -14.9965 -58.333 GPRESSAVG: 669800 61.4063 -19.9533 -7.36132 -19.4881 20.0664 -15.8428 -11.7579 -15.7289 -58.5151 TIMING: 669800 CPU: 1945.9, 0.00290916/step Wall: 1945.9, 0.00290916/step, 3.49924 hours remaining, 205.503906 MB of memory in use. ENERGY: 669800 751.1579 2115.2412 1974.8687 110.9110 -206677.9438 18062.4751 0.0000 0.0000 34220.5084 -149442.7815 298.8562 -183663.2899 -149354.4739 298.6825 186.3339 216.7377 555498.7819 7.8021 7.6525 PRESSURE: 670000 148.969 217.286 -57.2641 217.287 42.9605 76.8644 -57.2639 76.8645 15.8614 GPRESSURE: 670000 236.801 204.785 14.2792 210.019 29.7629 68.0113 -180.758 144.59 38.5738 PRESSAVG: 670000 22.3195 -8.67281 45.2632 -8.67275 -43.6481 -94.1828 45.2633 -94.1829 7.78703 GPRESSAVG: 670000 21.0564 -8.41027 42.9903 -8.96014 -42.1866 -95.3545 46.6426 -93.1982 8.08963 TIMING: 670000 CPU: 1946.49, 0.00293524/step Wall: 1946.49, 0.00293524/step, 3.53044 hours remaining, 205.503906 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: 670000 717.1281 2121.5743 1950.8519 108.7498 -206335.9238 17849.6535 0.0000 0.0000 34165.6950 -149422.2712 298.3775 -183587.9662 -149330.8883 298.4496 69.2637 101.7126 556656.6590 -4.5139 -4.3469 PRESSURE: 670200 -128.603 -32.2898 -173.316 -32.2912 85.8747 215.632 -173.315 215.633 112.36 GPRESSURE: 670200 -68.4635 49.0606 -104.194 -139.11 108.055 208.83 -189.702 163.989 125.72 PRESSAVG: 670200 42.7647 32.7328 -17.8408 32.7328 7.69064 29.618 -17.8407 29.618 11.6708 GPRESSAVG: 670200 43.2241 31.8974 -15.1979 32.8689 7.20613 30.1519 -17.2607 28.1496 11.7443 TIMING: 670200 CPU: 1947.07, 0.00290817/step Wall: 1947.07, 0.00290817/step, 3.49773 hours remaining, 205.503906 MB of memory in use. ENERGY: 670200 694.2308 2091.0414 1968.0572 119.2150 -206193.8701 17796.4742 0.0000 0.0000 34254.1309 -149270.7206 299.1498 -183524.8515 -149176.4429 298.0995 23.2106 55.1040 557452.6173 20.7087 20.7248 PRESSURE: 670400 -93.8148 34.8878 17.1954 34.8866 -61.9763 -74.3321 17.1938 -74.3336 19.1134 GPRESSURE: 670400 -81.3245 35.1003 -54.0463 71.0877 -72.8942 -109.746 -0.620302 31.8308 107.166 PRESSAVG: 670400 -7.01238 -15.3842 -30.3261 -15.3842 -46.8571 32.3844 -30.3262 32.3844 50.7402 GPRESSAVG: 670400 -6.65267 -13.7175 -32.5093 -15.2507 -47.1409 30.2021 -29.8877 35.3897 50.4803 TIMING: 670400 CPU: 1947.65, 0.00290435/step Wall: 1947.65, 0.00290435/step, 3.49297 hours remaining, 205.503906 MB of memory in use. ENERGY: 670400 758.1516 2083.9118 1995.7603 107.7806 -206346.5879 17914.2132 0.0000 0.0000 34042.4356 -149444.3347 297.3011 -183486.7703 -149355.1991 298.0078 -45.5592 -15.6841 557619.6991 -1.0431 -1.1044 PRESSURE: 670600 169.164 -77.8903 66.5215 -77.8899 5.74327 -9.65655 66.5195 -9.65684 13.1897 GPRESSURE: 670600 163.067 -132.876 169.706 -32.8034 100.412 -22.9101 56.946 32.7009 33.3782 PRESSAVG: 670600 -24.6335 8.38931 -4.6212 8.38924 3.75955 14.84 -4.62109 14.84 56.8758 GPRESSAVG: 670600 -24.7462 6.44873 -4.60605 6.92287 4.31153 17.2233 -5.75323 13.5612 56.1532 TIMING: 670600 CPU: 1948.23, 0.00289587/step Wall: 1948.23, 0.00289587/step, 3.4826 hours remaining, 205.503906 MB of memory in use. ENERGY: 670600 751.3306 2140.4075 1999.2331 102.7468 -206618.1011 18056.1842 0.0000 0.0000 34157.9726 -149410.2264 298.3101 -183568.1990 -149314.9184 298.3401 62.6989 98.9524 556963.3710 12.0006 11.9062 PRESSURE: 670800 -136.522 -12.3179 -11.0272 -12.3174 -322.644 59.8299 -11.0264 59.8297 -420.926 GPRESSURE: 670800 -93.9404 -17.2903 -68.6008 72.3551 -307.869 107.219 66.6342 29.8749 -388.265 PRESSAVG: 670800 6.88403 -20.443 -37.5049 -20.4431 -1.16234 -19.9458 -37.505 -19.9457 15.3862 GPRESSAVG: 670800 5.07766 -18.4848 -35.6053 -18.8223 -0.762107 -18.0626 -36.3621 -20.6151 16.7409 TIMING: 670800 CPU: 1948.81, 0.00289266/step Wall: 1948.81, 0.00289266/step, 3.47858 hours remaining, 205.503906 MB of memory in use. ENERGY: 670800 752.5748 2089.7101 1960.8831 110.5296 -205640.4684 17415.6706 0.0000 0.0000 33994.6321 -149316.4681 296.8836 -183311.1002 -149215.9867 299.6652 -293.3643 -263.3583 557407.9704 7.0360 7.0188 PRESSURE: 671000 125.632 -223.03 -1.93534 -223.031 -195.387 -112.518 -1.9346 -112.517 -177.003 GPRESSURE: 671000 113.607 -222.808 -3.70565 -219.729 -117.63 -106.415 23.2892 -57.9914 -139.014 PRESSAVG: 671000 5.62476 -8.41405 6.31114 -8.41409 21.2579 -44.2818 6.31108 -44.2818 -45.0794 GPRESSAVG: 671000 6.89376 -9.02301 3.4697 -7.79166 20.5031 -47.0856 5.51293 -45.2816 -45.8244 TIMING: 671000 CPU: 1949.39, 0.00289696/step Wall: 1949.39, 0.00289696/step, 3.4836 hours remaining, 205.503906 MB of memory in use. ENERGY: 671000 760.4486 2128.9701 1971.1393 117.7757 -206416.5677 17865.6422 0.0000 0.0000 34311.7280 -149260.8639 299.6529 -183572.5918 -149165.3489 298.8047 -82.2525 -47.6791 556360.5529 -6.0656 -6.1425 PRESSURE: 671200 120.78 -6.50392 109.195 -6.50388 -387.643 50.9574 109.195 50.9573 -326.682 GPRESSURE: 671200 97.2485 -91.5914 110.199 -3.5018 -343.243 76.5837 158.625 8.11031 -252.815 PRESSAVG: 671200 -2.25031 -100.012 28.2973 -100.012 -21.0679 6.94203 28.2974 6.94202 -12.096 GPRESSAVG: 671200 -2.34351 -100.464 30.9916 -101.679 -20.4263 8.01953 27.6062 8.16695 -11.9707 TIMING: 671200 CPU: 1949.97, 0.00290249/step Wall: 1949.97, 0.00290249/step, 3.49008 hours remaining, 205.503906 MB of memory in use. ENERGY: 671200 711.1507 2137.9126 1981.6708 108.6220 -205860.3706 17502.6356 0.0000 0.0000 34229.2454 -149189.1335 298.9325 -183418.3789 -149089.0668 299.4042 -197.8482 -166.2700 557923.6438 -11.8048 -11.5802 PRESSURE: 671400 -228.163 226.754 225.01 226.754 -14.2013 -0.75375 225.01 -0.752403 -222.888 GPRESSURE: 671400 -215.651 168.262 248.526 119.36 0.0146233 -20.4189 154.057 35.5415 -158.991 PRESSAVG: 671400 29.7553 -5.43507 34.3258 -5.43501 25.8113 -17.829 34.3259 -17.829 -18.1693 GPRESSAVG: 671400 29.2206 -6.41571 32.6626 -5.60141 25.5901 -18.4813 35.8345 -17.8584 -17.7653 TIMING: 671400 CPU: 1950.55, 0.0029013/step Wall: 1950.55, 0.0029013/step, 3.48849 hours remaining, 205.503906 MB of memory in use. ENERGY: 671400 780.8532 2073.1516 1980.8413 112.7546 -206230.5529 17702.3908 0.0000 0.0000 34510.2319 -149070.3294 301.3864 -183580.5613 -148969.8790 299.1597 -155.0838 -124.8755 558676.2642 12.4658 12.3484 PRESSURE: 671600 -62.4399 -117.545 -114.791 -117.544 -250.296 1.88966 -114.791 1.88882 -203.38 GPRESSURE: 671600 -1.01551 -93.3993 -99.524 -162.731 -235.076 -19.5983 -116.203 -9.65087 -175.915 PRESSAVG: 671600 19.2302 -9.04407 -17.7346 -9.04409 -21.1999 27.4661 -17.7345 27.466 26.5132 GPRESSAVG: 671600 20.5963 -9.98913 -15.4033 -5.54512 -21.9399 30.4505 -18.7623 25.6835 25.6551 TIMING: 671600 CPU: 1951.14, 0.00294166/step Wall: 1951.14, 0.00294166/step, 3.53685 hours remaining, 205.503906 MB of memory in use. ENERGY: 671600 747.8808 2087.0985 1945.6157 113.7317 -206007.9234 17701.6612 0.0000 0.0000 34388.1434 -149023.7921 300.3202 -183411.9354 -148927.6455 300.3587 -172.0385 -137.3354 558693.9757 8.1812 8.1038 PRESSURE: 671800 199.13 142.115 -69.986 142.114 64.6532 80.8464 -69.9861 80.8469 72.5322 GPRESSURE: 671800 261.4 146.716 -61.5453 140.348 68.5003 71.1378 -63.7617 68.244 110.14 PRESSAVG: 671800 -72.5386 -29.9094 -76.3949 -29.9094 12.8205 9.78159 -76.395 9.78164 21.5818 GPRESSAVG: 671800 -74.0368 -30.144 -79.3551 -32.4972 13.9354 7.46044 -75.0857 11.8214 21.868 TIMING: 671800 CPU: 1951.72, 0.00292123/step Wall: 1951.72, 0.00292123/step, 3.51213 hours remaining, 205.503906 MB of memory in use. ENERGY: 671800 730.3213 2099.9034 1955.5213 110.7919 -205858.1801 17831.1632 0.0000 0.0000 34281.9692 -148848.5099 299.3930 -183130.4790 -148757.1745 299.7487 112.1052 146.6803 556898.3029 -12.7121 -12.7444 PRESSURE: 672000 -53.9613 47.6518 -149.361 47.6522 184.997 27.4475 -149.361 27.4466 -330.597 GPRESSURE: 672000 -17.713 -7.91631 -92.9232 62.2435 199.133 10.3985 -106.359 76.2927 -278.137 PRESSAVG: 672000 12.7584 -67.7283 -5.24269 -67.7283 1.20781 2.62895 -5.24282 2.6287 -13.0115 GPRESSAVG: 672000 12.8163 -66.5081 -1.76157 -65.8108 1.34549 2.4436 -7.24863 4.56932 -13.0383 TIMING: 672000 CPU: 1952.31, 0.00291471/step Wall: 1952.31, 0.00291471/step, 3.50413 hours remaining, 205.503906 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: 672000 707.2739 2145.0346 1953.6171 113.2611 -205882.5367 17555.6116 0.0000 0.0000 34507.9646 -148899.7737 301.3666 -183407.7383 -148799.6551 300.4393 -66.5205 -32.2390 557323.7755 0.3182 0.3745 PRESSURE: 672200 285.26 -57.2889 -150.925 -57.287 225.186 58.6282 -150.926 58.6288 -61.32 GPRESSURE: 672200 349.21 -28.3506 -84.1486 -85.6542 223.73 29.0747 -148.996 58.2207 -32.7156 PRESSAVG: 672200 40.0551 -15.125 -24.8479 -15.125 -36.1682 23.4133 -24.8478 23.4133 16.1182 GPRESSAVG: 672200 39.8983 -14.1864 -27.5447 -17.2777 -36.671 23.1979 -23.1985 21.294 17.1867 TIMING: 672200 CPU: 1952.89, 0.00291815/step Wall: 1952.89, 0.00291815/step, 3.50811 hours remaining, 205.503906 MB of memory in use. ENERGY: 672200 720.3061 2157.9022 1955.8631 124.2885 -205987.6856 18047.6366 0.0000 0.0000 34115.3830 -148866.3062 297.9381 -182981.6892 -148774.1672 300.2719 149.7086 180.0746 557405.5703 6.6684 6.8047 LDB: ============= START OF LOAD BALANCING ============== 1956.36 LDB: ============== END OF LOAD BALANCING =============== 1956.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1956.36 LDB: ============= START OF LOAD BALANCING ============== 1956.65 LDB: Largest compute 4820 load 0.028081 is 23.9% of average load 0.117514 LDB: Average compute 0.001742 is 1.5% of average load 0.117514 LDB: TIME 1956.65 LOAD: AVG 0.117514 MAX 0.175955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.988 MB LDB: TIME 1956.65 LOAD: AVG 0.117514 MAX 0.175955 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: TIME 1956.65 LOAD: AVG 0.117514 MAX 0.175955 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: ============== END OF LOAD BALANCING =============== 1956.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1956.66 PRESSURE: 672400 -28.1296 -101.808 11.7751 -101.807 63.1251 33.0541 11.7756 33.0507 37.1128 GPRESSURE: 672400 45.9008 -119.025 -9.29067 -111.853 102.69 29.0101 48.2121 48.1452 30.9422 PRESSAVG: 672400 46.0218 -15.1562 -18.5087 -15.156 -14.5219 -29.614 -18.5086 -29.614 -43.6772 GPRESSAVG: 672400 46.0307 -16.2953 -17.59 -15.0417 -13.365 -27.7803 -20.0167 -30.7369 -44.6287 TIMING: 672400 CPU: 1953.49, 0.00297979/step Wall: 1953.49, 0.00297979/step, 3.58204 hours remaining, 204.031250 MB of memory in use. ENERGY: 672400 739.6510 2095.6788 1970.9771 126.0476 -205843.4311 17673.3630 0.0000 0.0000 34347.3465 -148890.3672 299.9639 -183237.7136 -148788.2425 300.1700 24.0361 59.8442 557068.6389 -4.0591 -3.9877 PRESSURE: 672600 84.1252 -174.491 -13.6958 -174.49 -57.6132 -27.8749 -13.6949 -27.8754 -180.378 GPRESSURE: 672600 82.0095 -103.21 -70.8761 -117.72 -9.27223 23.3321 74.1169 26.2774 -133.763 PRESSAVG: 672600 42.6483 15.0276 -27.6601 15.0274 -27.2963 24.2412 -27.6602 24.2412 14.67 GPRESSAVG: 672600 42.1298 13.687 -27.021 13.9234 -26.6915 23.3114 -27.9353 23.8198 14.2613 TIMING: 672600 CPU: 1954.07, 0.00291577/step Wall: 1954.07, 0.00291577/step, 3.50491 hours remaining, 204.269531 MB of memory in use. ENERGY: 672600 767.4619 2079.8452 1964.9381 118.5282 -205872.8289 17714.0974 0.0000 0.0000 34415.2632 -148812.6950 300.5571 -183227.9582 -148717.1765 300.2439 -51.2886 -20.3421 556910.8997 10.0073 9.8999 PRESSURE: 672800 -72.997 19.4268 271.481 19.4261 -14.9456 53.7846 271.48 53.7861 70.798 GPRESSURE: 672800 8.76454 -27.273 259.153 55.7632 -1.73715 -10.2802 290.464 117.858 68.0892 PRESSAVG: 672800 -55.8413 42.5421 13.0021 42.542 -7.51658 -1.9972 13.0022 -1.99729 22.7888 GPRESSAVG: 672800 -55.066 42.8896 12.5982 43.7152 -9.42445 -1.26802 15.0668 -0.904408 23.5428 TIMING: 672800 CPU: 1954.65, 0.0029066/step Wall: 1954.65, 0.0029066/step, 3.49373 hours remaining, 204.269531 MB of memory in use. ENERGY: 672800 733.5792 2055.8915 1963.7597 120.0555 -205775.0777 17706.9042 0.0000 0.0000 34403.4482 -148791.4394 300.4539 -183194.8876 -148691.2529 300.3297 -5.7148 25.0389 556738.9600 -13.5230 -13.6492 PRESSURE: 673000 -150.993 -31.6966 -70.8551 -31.6964 56.1169 185.402 -70.8561 185.401 -68.8468 GPRESSURE: 673000 -132.651 -18.6424 -144.541 -75.3684 118.303 186.511 -22.2611 252.178 -50.6166 PRESSAVG: 673000 -14.9668 -29.7395 9.47035 -29.7395 5.19276 -10.0796 9.4704 -10.0796 -10.0524 GPRESSAVG: 673000 -14.329 -27.9751 10.4073 -30.8501 5.54457 -11.7579 8.05273 -9.4037 -10.7628 TIMING: 673000 CPU: 1955.24, 0.00292569/step Wall: 1955.24, 0.00292569/step, 3.51652 hours remaining, 204.269531 MB of memory in use. ENERGY: 673000 716.0740 2127.7051 1980.9769 110.0759 -205665.0963 17603.3970 0.0000 0.0000 34321.7362 -148805.1312 299.7403 -183126.8674 -148704.2645 300.0166 -54.5743 -21.6548 559773.5292 -6.6088 -6.5158 PRESSURE: 673200 139.384 -86.4773 14.3423 -86.4771 271.669 -59.5096 14.3421 -59.5077 554.04 GPRESSURE: 673200 152.158 -31.4559 105.373 -93.7789 283.874 -29.515 -53.5404 -24.5074 637.237 PRESSAVG: 673200 -21.473 -19.5078 -49.8824 -19.5079 36.3264 11.6566 -49.8824 11.6566 -3.1413 GPRESSAVG: 673200 -22.1639 -18.8075 -49.5934 -19.0007 36.3229 13.3211 -49.7206 11.6464 -2.05368 TIMING: 673200 CPU: 1955.82, 0.00294166/step Wall: 1955.82, 0.00294166/step, 3.53555 hours remaining, 204.414062 MB of memory in use. ENERGY: 673200 752.5850 2140.2221 1978.1533 106.0955 -206231.4883 18143.3353 0.0000 0.0000 34334.7368 -148776.3603 299.8538 -183111.0971 -148675.7592 300.4128 321.6974 357.7564 556852.3432 3.9040 4.0351 PRESSURE: 673400 -275.815 -87.413 98.3399 -87.4114 61.3488 -89.8163 98.339 -89.8164 42.8098 GPRESSURE: 673400 -200.243 -157.997 185.617 -60.7222 65.88 -219.953 74.2236 -31.3367 58.2913 PRESSAVG: 673400 9.31808 -18.4026 -5.79771 -18.4025 0.663457 -19.1428 -5.79771 -19.1428 -38.5074 GPRESSAVG: 673400 8.44236 -20.0284 -7.29827 -18.4706 2.08892 -22.7382 -4.53036 -18.6472 -38.9051 TIMING: 673400 CPU: 1956.41, 0.00291534/step Wall: 1956.41, 0.00291534/step, 3.50376 hours remaining, 204.414062 MB of memory in use. ENERGY: 673400 778.4024 2139.1431 2009.1365 103.1841 -205917.9685 17580.3530 0.0000 0.0000 34549.9928 -148757.7565 301.7337 -183307.7493 -148662.7483 300.1511 -57.2187 -25.3573 556397.1159 -9.5086 -9.4579 PRESSURE: 673600 -70.7839 14.2166 -136.471 14.2164 -57.5087 133.35 -136.472 133.348 -217.806 GPRESSURE: 673600 -32.2496 -7.32307 -146.847 -17.5297 -29.1151 71.1573 -133.787 109.788 -183.936 PRESSAVG: 673600 -33.4577 9.68886 -19.6322 9.68895 41.1127 -51.5217 -19.6321 -51.5219 14.7422 GPRESSAVG: 673600 -32.4219 7.65615 -19.5744 11.6358 40.0733 -49.163 -19.3324 -52.4417 14.2838 TIMING: 673600 CPU: 1956.99, 0.00291059/step Wall: 1956.99, 0.00291059/step, 3.49789 hours remaining, 204.414062 MB of memory in use. ENERGY: 673600 813.5153 2064.5962 1962.2306 121.4133 -205608.8941 17526.7122 0.0000 0.0000 34398.0454 -148722.3811 300.4067 -183120.4265 -148623.7791 300.5172 -115.3662 -81.7669 557668.1184 7.4657 7.3118 PRESSURE: 673800 -161.035 19.6058 174.971 19.6057 -215.171 131.53 174.971 131.529 -340.805 GPRESSURE: 673800 -118.937 130.854 284.763 -75.5016 -216.141 166.033 52.9493 46.9416 -278.244 PRESSAVG: 673800 -50.156 36.7752 5.37489 36.7752 53.589 -20.681 5.37491 -20.6811 -12.9464 GPRESSAVG: 673800 -50.4188 37.7128 4.89426 35.6136 53.9695 -19.6998 5.61484 -21.3107 -12.9351 TIMING: 673800 CPU: 1957.57, 0.00289724/step Wall: 1957.57, 0.00289724/step, 3.48168 hours remaining, 204.414062 MB of memory in use. ENERGY: 673800 763.2636 2111.9367 1995.8050 116.5442 -205850.1230 17449.6838 0.0000 0.0000 34492.2174 -148920.6723 301.2291 -183412.8897 -148817.0007 300.4537 -239.0036 -204.4411 556733.7371 -3.1711 -3.1282 PRESSURE: 674000 82.289 -2.56446 -196.604 -2.56395 144.011 90.6862 -196.604 90.6876 -187.232 GPRESSURE: 674000 82.1807 -41.8843 -188.679 6.33254 155.636 90.99 -142.083 70.0439 -97.405 PRESSAVG: 674000 6.87619 -30.2755 -14.7263 -30.2755 53.1471 8.50345 -14.7264 8.50348 2.53518 GPRESSAVG: 674000 7.67449 -28.7761 -12.2215 -31.1811 52.6353 6.93754 -17.3269 9.71502 2.80159 TIMING: 674000 CPU: 1958.15, 0.00291481/step Wall: 1958.15, 0.00291481/step, 3.50263 hours remaining, 204.414062 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: 674000 777.4010 2019.7189 1955.9305 120.7523 -206266.8947 17866.7984 0.0000 0.0000 34483.7910 -149042.5026 301.1555 -183526.2936 -148945.2472 299.7223 13.0225 46.8040 557510.5529 20.8528 21.0371 PRESSURE: 674200 -72.9988 -167.884 101.28 -167.885 1.54123 -7.80038 101.279 -7.80253 -160.138 GPRESSURE: 674200 -46.8523 -175.343 3.10437 -164.607 -54.9527 94.9215 177.188 -50.4904 -32.765 PRESSAVG: 674200 -42.0163 1.67043 12.2976 1.67039 -11.8298 0.584002 12.2975 0.584077 25.8872 GPRESSAVG: 674200 -41.4566 1.38803 9.44896 2.38386 -12.5755 1.58834 12.8943 0.690176 25.9841 TIMING: 674200 CPU: 1958.73, 0.00291332/step Wall: 1958.73, 0.00291332/step, 3.50068 hours remaining, 204.414062 MB of memory in use. ENERGY: 674200 727.8244 2098.4748 1993.9743 110.8377 -205850.7250 17651.4978 0.0000 0.0000 34342.4180 -148925.6980 299.9209 -183268.1160 -148831.0179 299.3246 -77.1984 -44.8567 556988.1887 -9.3196 -9.3494 PRESSURE: 674400 -17.5193 18.6451 -19.459 18.6463 -59.9302 51.4076 -19.4592 51.4062 146.255 GPRESSURE: 674400 21.1289 -2.87207 -102.569 -30.8473 -20.9163 113.687 -2.77853 67.5533 169.585 PRESSAVG: 674400 -68.4907 -19.9934 -30.553 -19.9935 31.5922 -36.6698 -30.553 -36.6698 78.4354 GPRESSAVG: 674400 -68.1032 -20.404 -28.0884 -20.5724 31.5985 -37.291 -30.0569 -36.7861 77.9089 TIMING: 674400 CPU: 1959.32, 0.00291172/step Wall: 1959.32, 0.00291172/step, 3.49859 hours remaining, 204.414062 MB of memory in use. ENERGY: 674400 725.4031 2070.2787 1967.8371 101.5123 -205744.0944 17680.1505 0.0000 0.0000 34323.9670 -148874.9457 299.7597 -183198.9127 -148781.3775 299.9290 22.9352 56.5992 556432.9134 13.8457 13.8014 PRESSURE: 674600 -35.2793 76.2299 19.0523 76.2295 280.518 -23.6549 19.0534 -23.6544 23.0242 GPRESSURE: 674600 32.2059 110.094 112.864 49.4402 276.181 83.9582 49.4359 -66.4525 61.2219 PRESSAVG: 674600 -58.2149 -23.211 -30.9025 -23.2111 59.7322 -19.3088 -30.9025 -19.3088 -13.9071 GPRESSAVG: 674600 -59.3657 -21.2542 -33.1186 -22.2715 59.6855 -18.0051 -28.7101 -20.914 -12.3789 TIMING: 674600 CPU: 1959.9, 0.00290786/step Wall: 1959.9, 0.00290786/step, 3.4938 hours remaining, 204.414062 MB of memory in use. ENERGY: 674600 725.0101 2020.6483 1973.2500 111.1988 -206269.0438 17860.1121 0.0000 0.0000 34498.6843 -149080.1401 301.2856 -183578.8244 -148988.1070 299.5502 89.4209 123.2028 555828.9093 -4.1299 -4.0197 PRESSURE: 674800 1.01193 -35.8151 -134.744 -35.8141 179.904 12.6188 -134.745 12.6193 237.185 GPRESSURE: 674800 44.5945 -39.1433 -164.48 -44.1471 156.116 -48.7044 -168.525 56.8244 319.383 PRESSAVG: 674800 -21.8443 -20.5463 -17.9308 -20.5463 15.0556 -32.686 -17.9309 -32.6859 -24.4272 GPRESSAVG: 674800 -21.1519 -21.7663 -15.5986 -19.9 15.431 -33.9997 -19.7852 -31.3906 -24.5465 TIMING: 674800 CPU: 1960.48, 0.00291685/step Wall: 1960.48, 0.00291685/step, 3.50444 hours remaining, 204.414062 MB of memory in use. ENERGY: 674800 738.9725 2045.5197 1962.7196 111.2590 -206117.9760 17826.5482 0.0000 0.0000 34198.9204 -149234.0367 298.6677 -183432.9571 -149138.8983 298.9209 139.3670 173.3644 555691.3140 -10.4053 -10.0891 PRESSURE: 675000 -40.0721 67.8522 297.829 67.8516 207.81 -38.6605 297.829 -38.6598 -26.0759 GPRESSURE: 675000 -57.5774 105.88 359.352 38.8157 255.867 -33.4148 238.981 -25.2808 40.7855 PRESSAVG: 675000 2.87416 -8.7159 41.5987 -8.71587 -43.8624 -4.84127 41.5986 -4.84135 43.0442 GPRESSAVG: 675000 2.44957 -10.852 40.6023 -9.68961 -43.1348 -5.3809 42.4706 -3.66072 41.8157 TIMING: 675000 CPU: 1961.06, 0.00291659/step Wall: 1961.06, 0.00291659/step, 3.50395 hours remaining, 204.414062 MB of memory in use. ENERGY: 675000 755.7287 2045.7666 1992.0229 112.7400 -206239.8054 17941.9657 0.0000 0.0000 34203.1669 -149188.4146 298.7048 -183391.5815 -149086.2883 298.8398 47.2208 79.6917 557442.9452 0.6853 0.3768 PRESSURE: 675200 -348.766 91.5799 173.203 91.5797 -382.293 -111.217 173.202 -111.218 -179.814 GPRESSURE: 675200 -370.987 59.964 80.9726 113.732 -292.835 -104.162 182.644 -113.916 -157.849 PRESSAVG: 675200 -50.9722 31.6437 -6.37678 31.6437 42.1159 -3.41811 -6.37675 -3.41829 -32.6406 GPRESSAVG: 675200 -50.1176 32.7567 -8.81323 32.2134 41.3845 -2.87192 -5.42586 -4.8213 -32.6111 TIMING: 675200 CPU: 1961.64, 0.00288815/step Wall: 1961.64, 0.00288815/step, 3.46963 hours remaining, 204.414062 MB of memory in use. ENERGY: 675200 758.3375 2044.7045 1976.4541 115.1739 -205843.6903 17495.2000 0.0000 0.0000 34205.3670 -149248.4532 298.7240 -183453.8202 -149148.7518 298.9574 -303.6241 -273.8905 558117.9228 -13.8323 -13.7814 PRESSURE: 675400 86.5937 11.8639 -43.6026 11.8636 -5.7611 143.94 -43.6016 143.939 -124.134 GPRESSURE: 675400 135.393 -56.1747 -33.397 106.689 57.4022 83.3935 -67.3327 158.858 -142.708 PRESSAVG: 675400 -35.9996 -35.3864 44.5772 -35.3864 -4.9147 -30.7506 44.5772 -30.7507 64.2289 GPRESSAVG: 675400 -36.8471 -33.8908 45.9113 -35.4941 -4.38289 -32.0478 44.3416 -29.3212 64.9534 TIMING: 675400 CPU: 1962.22, 0.00289721/step Wall: 1962.22, 0.00289721/step, 3.48036 hours remaining, 204.414062 MB of memory in use. ENERGY: 675400 746.2024 1971.6910 1968.9314 118.8281 -206028.7626 17798.8089 0.0000 0.0000 34098.2483 -149326.0526 297.7885 -183424.3009 -149226.9762 298.7987 -14.4339 16.6958 556449.2736 7.7715 7.9078 PRESSURE: 675600 -37.9767 45.9354 -225.985 45.9363 -56.696 -118.606 -225.984 -118.606 93.7291 GPRESSURE: 675600 -3.84665 6.20565 -221.421 82.726 -36.876 -40.8703 -120.944 -109.592 146.743 PRESSAVG: 675600 24.5884 9.8776 -5.00659 9.87768 16.6476 12.653 -5.00653 12.6531 0.898591 GPRESSAVG: 675600 25.819 6.83583 -3.28507 11.6245 15.4913 14.7656 -6.63653 12.433 1.67338 TIMING: 675600 CPU: 1962.81, 0.00292628/step Wall: 1962.81, 0.00292628/step, 3.51511 hours remaining, 204.414062 MB of memory in use. ENERGY: 675600 777.9210 2067.2346 1980.2792 106.9171 -206376.7237 17897.3965 0.0000 0.0000 34117.2508 -149429.7244 297.9544 -183546.9752 -149335.8993 298.7370 -0.3145 35.3400 557089.1475 14.0449 14.3279 PRESSURE: 675800 213.722 -68.0917 -13.3192 -68.0906 330.537 129.137 -13.3188 129.136 372.533 GPRESSURE: 675800 202.636 -98.9463 -69.9317 -8.11827 382.736 214.603 -13.5285 122.901 426.229 PRESSAVG: 675800 -21.7183 -33.6952 -13.5653 -33.6953 -18.4296 26.8818 -13.5653 26.8818 70.4633 GPRESSAVG: 675800 -22.4801 -30.7885 -15.0782 -35.1096 -17.7529 26.3041 -11.8309 25.683 70.6379 TIMING: 675800 CPU: 1963.39, 0.00294066/step Wall: 1963.39, 0.00294066/step, 3.53222 hours remaining, 204.414062 MB of memory in use. ENERGY: 675800 731.8484 2122.7225 1949.2973 108.7408 -206516.3773 17980.6373 0.0000 0.0000 34179.6448 -149443.4863 298.4993 -183623.1311 -149349.5478 298.6471 305.5972 337.2003 555178.3827 10.1051 10.1350 PRESSURE: 676000 182.685 -209.506 145.73 -209.506 -122.283 34.5756 145.729 34.5749 66.0484 GPRESSURE: 676000 178.522 -205.539 146.816 -203.059 -53.7657 74.1895 110.748 -86.0713 94.6415 PRESSAVG: 676000 -35.5633 -12.5007 -38.0226 -12.5007 13.8724 9.78808 -38.0226 9.78794 31.6665 GPRESSAVG: 676000 -35.125 -13.6926 -36.3817 -11.6308 14.2782 9.35875 -40.2337 10.9726 31.5428 TIMING: 676000 CPU: 1963.98, 0.00294561/step Wall: 1963.98, 0.00294561/step, 3.53801 hours remaining, 204.414062 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: 676000 735.6244 2058.4131 1995.3253 109.3593 -206567.6716 17861.0449 0.0000 0.0000 34175.3645 -149632.5401 298.4620 -183807.9046 -149532.1414 298.7263 42.1501 73.1326 556114.4729 3.3252 3.5653 PRESSURE: 676200 155.358 121.089 -36.4597 121.089 98.6017 119.353 -36.4582 119.351 -19.5493 GPRESSURE: 676200 169.055 94.876 -45.5667 96.0491 137.23 183.554 -46.2178 55.8647 26.6663 PRESSAVG: 676200 -31.9902 -2.62956 19.7077 -2.6295 29.1813 -44.429 19.7077 -44.429 3.62845 GPRESSAVG: 676200 -31.8448 -1.5952 17.5057 -4.83412 28.6946 -45.0688 21.2813 -45.0061 3.82125 TIMING: 676200 CPU: 1964.56, 0.00289504/step Wall: 1964.56, 0.00289504/step, 3.4771 hours remaining, 204.414062 MB of memory in use. ENERGY: 676200 736.7177 2111.5154 1979.7348 110.6021 -206480.3846 17779.6249 0.0000 0.0000 34159.0798 -149603.1098 298.3197 -183762.1896 -149509.6740 298.2666 78.1369 110.9839 555488.4756 0.2732 0.2237 LDB: ============= START OF LOAD BALANCING ============== 1968.03 LDB: ============== END OF LOAD BALANCING =============== 1968.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1968.03 LDB: ============= START OF LOAD BALANCING ============== 1968.32 LDB: Largest compute 4820 load 0.027493 is 23.4% of average load 0.117473 LDB: Average compute 0.001745 is 1.5% of average load 0.117473 LDB: TIME 1968.32 LOAD: AVG 0.117473 MAX 0.178342 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.164 MB LDB: TIME 1968.32 LOAD: AVG 0.117473 MAX 0.178342 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: TIME 1968.32 LOAD: AVG 0.117473 MAX 0.178342 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: ============== END OF LOAD BALANCING =============== 1968.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1968.33 PRESSURE: 676400 -140.326 13.5773 -123.359 13.5769 9.69633 -70.2794 -123.358 -70.2777 -348.332 GPRESSURE: 676400 -91.808 57.2792 -87.7095 14.8993 46.3879 -194.348 -100.559 -1.60222 -323.302 PRESSAVG: 676400 25.4122 -29.9023 -43.642 -29.9022 18.1819 -8.53643 -43.642 -8.53633 -38.4554 GPRESSAVG: 676400 25.4715 -31.4687 -42.3955 -30.1899 18.994 -10.0475 -45.4321 -7.64156 -39.4263 TIMING: 676400 CPU: 1965.15, 0.00294917/step Wall: 1965.15, 0.00294917/step, 3.54195 hours remaining, 206.503906 MB of memory in use. ENERGY: 676400 743.1052 2123.3990 1990.0450 109.4062 -206244.0857 17753.3874 0.0000 0.0000 34129.8498 -149394.8930 298.0645 -183524.7428 -149305.1858 298.6336 -159.6539 -122.9073 556553.4711 1.7129 1.6797 PRESSURE: 676600 147.879 38.2286 -168.918 38.2278 -30.1417 71.3689 -168.918 71.3682 88.3794 GPRESSURE: 676600 185.98 32.7333 -108.555 56.289 -29.0578 7.42489 -61.3013 199.516 135.642 PRESSAVG: 676600 -25.6745 -22.141 -15.6681 -22.141 -46.0217 -26.4764 -15.668 -26.4765 46.3196 GPRESSAVG: 676600 -26.5712 -22.1341 -15.8301 -19.9067 -46.9516 -26.0878 -13.7396 -25.7022 47.7446 TIMING: 676600 CPU: 1965.74, 0.00293785/step Wall: 1965.74, 0.00293785/step, 3.52819 hours remaining, 206.742188 MB of memory in use. ENERGY: 676600 724.4301 2051.5608 2003.8312 106.4813 -206488.8166 17962.8343 0.0000 0.0000 34345.2333 -149294.4455 299.9455 -183639.6788 -149196.2122 299.4632 68.7057 97.5215 556694.8901 -8.4589 -8.5928 PRESSURE: 676800 131.71 -45.076 52.5772 -45.0767 68.0807 25.1908 52.5771 25.1906 61.6403 GPRESSURE: 676800 161.428 -50.4326 -50.3766 -51.4338 79.9113 92.4262 40.5717 -15.3792 121.536 PRESSAVG: 676800 1.08835 -23.2428 15.9064 -23.2427 -17.3506 25.7016 15.9064 25.7017 -32.2504 GPRESSAVG: 676800 0.975743 -22.1275 18.0046 -24.7007 -17.4165 27.0424 14.1324 23.7114 -32.9959 TIMING: 676800 CPU: 1966.32, 0.00290716/step Wall: 1966.32, 0.00290716/step, 3.49118 hours remaining, 206.742188 MB of memory in use. ENERGY: 676800 762.9516 2147.2473 1943.3765 121.6125 -206403.4523 18100.9471 0.0000 0.0000 34096.9534 -149230.3639 297.7772 -183327.3174 -149139.8015 298.9241 87.1436 120.9584 557859.8514 -16.1709 -16.4789 PRESSURE: 677000 112.608 -43.2342 -84.9016 -43.2351 -94.8731 -70.3884 -84.901 -70.3895 121.222 GPRESSURE: 677000 120.55 -24.9657 -62.1535 -2.73437 -17.2798 -117.086 -45.0277 -9.44384 128.666 PRESSAVG: 677000 24.1366 -16.3347 -7.15885 -16.3347 7.59528 41.046 -7.15881 41.0459 3.60929 GPRESSAVG: 677000 24.0693 -17.9327 -7.96584 -15.3323 8.29011 38.6523 -6.15218 44.0178 2.68217 TIMING: 677000 CPU: 1966.9, 0.00290521/step Wall: 1966.9, 0.00290521/step, 3.48867 hours remaining, 206.742188 MB of memory in use. ENERGY: 677000 727.0611 2112.4183 1972.7834 123.9828 -206355.9967 17946.1189 0.0000 0.0000 34387.6395 -149085.9928 300.3158 -183473.6323 -148987.4262 299.4137 46.3191 77.3122 558507.2523 11.7804 11.6805 PRESSURE: 677200 -30.6144 69.6107 -65.8118 69.6109 -101.696 -6.75187 -65.8111 -6.75148 -115.128 GPRESSURE: 677200 -18.5674 44.8715 -82.1579 12.1557 -41.6006 -42.0395 -104.67 -49.8513 -88.5572 PRESSAVG: 677200 15.5985 -6.7755 -1.96576 -6.77557 -8.98421 24.4602 -1.96574 24.4602 -32.9749 GPRESSAVG: 677200 16.1763 -3.50734 -0.66719 -7.92121 -8.95053 27.3889 -2.82777 22.6851 -33.8811 TIMING: 677200 CPU: 1967.49, 0.00291532/step Wall: 1967.49, 0.00291532/step, 3.50066 hours remaining, 206.742188 MB of memory in use. ENERGY: 677200 775.3454 2090.3148 1966.1599 108.0693 -206074.5505 17757.7975 0.0000 0.0000 34279.0808 -149097.7828 299.3677 -183376.8637 -149003.6034 299.6995 -82.4796 -49.5751 558182.7555 -8.7869 -8.8851 PRESSURE: 677400 -147.886 -10.1554 88.1713 -10.1554 -244.592 -28.4487 88.1714 -28.4477 -147.432 GPRESSURE: 677400 -126.114 23.9958 94.9844 -4.74948 -197.117 -27.5094 1.72464 -93.6624 -124.742 PRESSAVG: 677400 12.0741 39.5035 34.7796 39.5036 -52.2219 10.8073 34.7795 10.8073 19.4782 GPRESSAVG: 677400 11.9622 36.7597 31.7437 42.1719 -53.3472 9.11175 35.3713 10.4476 21.4331 TIMING: 677400 CPU: 1968.07, 0.00289954/step Wall: 1968.07, 0.00289954/step, 3.48154 hours remaining, 206.742188 MB of memory in use. ENERGY: 677400 737.0968 2117.8946 2001.3444 123.0219 -205833.1794 17439.0733 0.0000 0.0000 34461.6644 -148953.0841 300.9623 -183414.7484 -148861.1899 298.9233 -179.9698 -149.3242 558391.2635 -6.8899 -6.6506 PRESSURE: 677600 -52.912 -9.98386 46.2402 -9.98273 55.3588 -98.8313 46.2401 -98.8312 67.5063 GPRESSURE: 677600 12.9421 -31.0074 26.7914 -10.1065 89.2468 -22.1469 122.604 -111.724 66.8278 PRESSAVG: 677600 -28.4198 5.38035 -68.678 5.38029 -0.447573 -11.6778 -68.678 -11.6778 55.9999 GPRESSAVG: 677600 -28.7287 6.18232 -67.3281 5.07883 0.721745 -9.05994 -67.2255 -11.8566 55.0976 TIMING: 677600 CPU: 1968.64, 0.00288785/step Wall: 1968.64, 0.00288785/step, 3.46734 hours remaining, 206.742188 MB of memory in use. ENERGY: 677600 724.5479 2124.1094 1986.6995 124.7538 -206359.7759 17932.3666 0.0000 0.0000 34612.6535 -148854.6452 302.2809 -183467.2988 -148762.8578 300.6383 23.3177 56.3389 557351.9451 9.0442 9.0302 PRESSURE: 677800 -245.595 -49.757 -25.4154 -49.7564 -347.837 -78.7061 -25.4145 -78.706 7.53181 GPRESSURE: 677800 -215.83 11.8663 138.624 -87.0039 -308.103 -43.8144 -67.6748 -115.078 31.7072 PRESSAVG: 677800 -50.9324 -7.05031 -11.1461 -7.05024 -43.9845 -16.7338 -11.146 -16.7338 67.5875 GPRESSAVG: 677800 -50.808 -5.1011 -11.1688 -7.76668 -45.1694 -16.3078 -10.5555 -18.983 68.6247 TIMING: 677800 CPU: 1969.22, 0.00289349/step Wall: 1969.22, 0.00289349/step, 3.47396 hours remaining, 206.742188 MB of memory in use. ENERGY: 677800 798.6674 2088.5164 2014.8298 114.1218 -205923.0340 17612.4567 0.0000 0.0000 34427.4790 -148866.9629 300.6637 -183294.4419 -148771.8739 300.6569 -195.3001 -164.0753 559217.9136 -9.1098 -9.1176 PRESSURE: 678000 -118.77 140.475 46.1837 140.474 -97.1377 -73.708 46.1839 -73.7071 47.9989 GPRESSURE: 678000 -97.5609 45.3184 3.064 41.4092 2.59208 -106.651 116.626 -100.812 31.9386 PRESSAVG: 678000 -72.4772 -49.1827 -12.1449 -49.1827 16.2421 -7.12031 -12.1449 -7.12029 68.2519 GPRESSAVG: 678000 -73.7345 -50.8851 -11.4887 -49.1281 17.3214 -10.4953 -15.1911 -3.50913 67.9567 TIMING: 678000 CPU: 1969.8, 0.00289138/step Wall: 1969.8, 0.00289138/step, 3.47126 hours remaining, 206.742188 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: 678000 764.7778 2106.4253 1992.7051 127.2187 -205976.0462 17818.9838 0.0000 0.0000 34308.7824 -148857.1532 299.6271 -183165.9356 -148762.5039 300.4529 -55.9696 -21.0101 558826.0452 4.0056 3.8479 PRESSURE: 678200 9.87151 0.405928 -82.3753 0.405403 -110.191 -219.455 -82.3749 -219.455 -234.519 GPRESSURE: 678200 79.3295 37.9689 -117.8 -26.1567 -119.016 -177.783 -68.2099 -261.023 -196.695 PRESSAVG: 678200 94.1873 -6.39879 71.2984 -6.39878 -5.58382 -11.8506 71.2983 -11.8504 -23.1805 GPRESSAVG: 678200 95.5628 -5.14486 69.5505 -7.1426 -6.20587 -10.3919 73.896 -11.7273 -24.0168 TIMING: 678200 CPU: 1970.37, 0.00285453/step Wall: 1970.37, 0.00285453/step, 3.42686 hours remaining, 206.742188 MB of memory in use. ENERGY: 678200 744.3837 2116.2476 1988.8384 114.8581 -205885.6803 17704.8866 0.0000 0.0000 34187.7419 -149028.7239 298.5701 -183216.4658 -148923.6153 300.7348 -111.6127 -78.7936 559667.5912 21.8077 21.7800 PRESSURE: 678400 -71.6603 -0.371784 55.39 -0.370431 -66.3324 -213.114 55.3904 -213.112 181.299 GPRESSURE: 678400 -50.3062 46.6796 11.5222 72.8924 -35.1069 -140.799 51.0561 -284.973 231.248 PRESSAVG: 678400 25.2871 -9.00521 -26.5739 -9.00512 26.7863 -46.5857 -26.5739 -46.5857 -37.7433 GPRESSAVG: 678400 25.5369 -8.27325 -25.9997 -9.88752 26.7656 -46.1803 -26.2942 -49.8749 -37.9247 TIMING: 678400 CPU: 1970.94, 0.00286763/step Wall: 1970.94, 0.00286763/step, 3.44243 hours remaining, 206.742188 MB of memory in use. ENERGY: 678400 731.1487 2041.5345 1977.8953 108.9447 -206313.4537 17941.5272 0.0000 0.0000 34376.1625 -149136.2408 300.2156 -183512.4033 -149034.5871 300.1180 14.4354 48.6116 557335.2721 4.7767 4.7926 PRESSURE: 678600 270.652 -25.6052 31.0161 -25.6059 56.5612 -85.0515 31.0162 -85.0519 189.964 GPRESSURE: 678600 322.427 -84.6812 -43.8992 39.179 78.3315 -137.137 -9.54055 -139.157 219.317 PRESSAVG: 678600 -32.9113 31.3639 22.0016 31.364 47.4611 -60.0303 22.0015 -60.0302 -11.4051 GPRESSAVG: 678600 -34.7588 30.5545 21.5867 32.8038 47.2033 -62.8506 22.2175 -57.8486 -9.16198 TIMING: 678600 CPU: 1971.52, 0.00288576/step Wall: 1971.52, 0.00288576/step, 3.46404 hours remaining, 206.742188 MB of memory in use. ENERGY: 678600 744.3233 2079.2049 1973.1801 125.0495 -206574.7219 18059.3705 0.0000 0.0000 34406.3022 -149187.2914 300.4788 -183593.5936 -149091.7170 299.2991 172.3924 206.6921 557269.4726 1.0483 1.0942 PRESSURE: 678800 -113.46 -87.7117 -121.408 -87.7123 -8.00576 -126.075 -121.407 -126.076 -45.5685 GPRESSURE: 678800 -85.1069 -124.98 -51.9735 -80.7816 21.684 -15.1577 -88.8968 -122.33 -3.24949 PRESSAVG: 678800 -12.9857 24.7316 -20.0583 24.7317 9.19068 -35.9997 -20.0583 -35.9998 -27.9932 GPRESSAVG: 678800 -11.2638 23.4803 -18.2082 26.3255 8.04348 -33.242 -21.2848 -37.5431 -29.2752 TIMING: 678800 CPU: 1972.1, 0.00290423/step Wall: 1972.1, 0.00290423/step, 3.48604 hours remaining, 206.742188 MB of memory in use. ENERGY: 678800 765.9152 2102.4871 1985.0946 117.9887 -206159.8954 17798.6502 0.0000 0.0000 34208.4867 -149181.2729 298.7512 -183389.7596 -149077.6730 299.8449 -55.6781 -22.2241 559047.4371 -10.5961 -10.8318 PRESSURE: 679000 -260.294 -39.5901 -29.5055 -39.5898 -47.7171 -18.1273 -29.5053 -18.1295 -64.2616 GPRESSURE: 679000 -189.51 -33.0086 -66.3061 -117.351 9.66112 -64.9036 -58.1536 -24.5401 -99.5253 PRESSAVG: 679000 30.6769 -0.180733 -6.48843 -0.180732 17.9255 -11.2531 -6.48846 -11.253 -52.942 GPRESSAVG: 679000 30.841 0.626056 -8.92763 -3.24378 18.3782 -11.073 -5.31941 -10.3373 -53.737 TIMING: 679000 CPU: 1972.68, 0.00290158/step Wall: 1972.68, 0.00290158/step, 3.4827 hours remaining, 206.742188 MB of memory in use. ENERGY: 679000 716.5665 2103.0928 1973.9555 120.3679 -205979.5584 17534.3061 0.0000 0.0000 34247.5431 -149283.7267 299.0923 -183531.2698 -149183.9430 298.9756 -124.0909 -93.1247 558435.1462 -1.4465 -1.5059 PRESSURE: 679200 -51.578 98.5479 7.37185 98.5481 92.8677 -5.24032 7.37088 -5.24361 113.456 GPRESSURE: 679200 -14.7524 105.546 -104.276 69.9133 160.243 15.5525 81.0838 -22.3039 110.442 PRESSAVG: 679200 -63.6806 -24.4192 0.483864 -24.4192 -10.1458 -10.4997 0.483911 -10.4999 19.454 GPRESSAVG: 679200 -64.8167 -26.5358 0.204421 -23.1903 -8.69432 -10.5217 0.0419185 -9.54268 19.4507 TIMING: 679200 CPU: 1973.27, 0.00291143/step Wall: 1973.27, 0.00291143/step, 3.49437 hours remaining, 206.742188 MB of memory in use. ENERGY: 679200 744.4211 2051.4919 1974.9876 125.9039 -206750.2389 18073.7334 0.0000 0.0000 34505.8779 -149273.8232 301.3484 -183779.7011 -149185.5472 299.3315 51.5819 85.3110 557223.5695 -18.1241 -18.0201 PRESSURE: 679400 168.205 -13.1168 8.44587 -13.1165 39.5876 77.2801 8.44563 77.2795 -24.9513 GPRESSURE: 679400 173.27 -82.564 49.4339 27.0795 47.9523 77.495 10.1276 65.5074 62.5236 PRESSAVG: 679400 0.523913 -9.854 42.7461 -9.85394 36.3344 -13.1786 42.746 -13.1786 -45.4954 GPRESSAVG: 679400 1.28133 -7.70504 45.4798 -11.3819 34.9144 -12.8007 42.1836 -14.0381 -44.5486 TIMING: 679400 CPU: 1973.85, 0.00293141/step Wall: 1973.85, 0.00293141/step, 3.51818 hours remaining, 206.742188 MB of memory in use. ENERGY: 679400 731.4379 2079.2304 1982.0732 108.7918 -206333.4164 17997.9939 0.0000 0.0000 34321.7393 -149112.1501 299.7403 -183433.8894 -149011.0216 299.7713 60.9470 94.5819 558681.8664 -2.8790 -2.7843 PRESSURE: 679600 82.2091 58.7157 -22.001 58.7153 -206.953 -25.1141 -22.0014 -25.1134 -7.12977 GPRESSURE: 679600 87.1147 92.2685 -57.8164 69.3018 -111.754 -40.6432 38.6398 -31.7828 -18.3502 PRESSAVG: 679600 -9.02199 21.0293 36.075 21.0294 17.8228 3.74149 36.075 3.7416 -52.3646 GPRESSAVG: 679600 -9.37727 19.7295 35.1794 23.6112 18.4586 1.44313 36.3378 4.20263 -52.9522 TIMING: 679600 CPU: 1974.44, 0.00294109/step Wall: 1974.44, 0.00294109/step, 3.52964 hours remaining, 206.742188 MB of memory in use. ENERGY: 679600 722.2101 2049.2124 1992.4447 106.6144 -206004.7709 17676.8616 0.0000 0.0000 34236.3013 -149221.1264 298.9941 -183457.4278 -149124.8052 299.2933 -43.9578 -14.3298 557822.6199 -14.5213 -14.6236 PRESSURE: 679800 -202.848 127.917 27.6607 127.919 19.1384 47.6677 27.6614 47.669 -156.95 GPRESSURE: 679800 -170.848 162.135 97.1955 90.853 39.2066 40.309 -20.9346 72.6425 -105.8 PRESSAVG: 679800 -35.9726 4.14603 -7.22504 4.14593 67.1239 15.937 -7.22513 15.937 -8.83081 GPRESSAVG: 679800 -36.3384 4.14897 -8.19043 2.12573 67.6111 15.0978 -6.32202 17.8508 -9.04837 TIMING: 679800 CPU: 1975.02, 0.00292144/step Wall: 1975.02, 0.00292144/step, 3.50589 hours remaining, 206.742188 MB of memory in use. ENERGY: 679800 758.4764 2052.1422 1986.6612 131.3660 -206243.1407 17803.7435 0.0000 0.0000 34256.0689 -149254.6825 299.1668 -183510.7514 -149158.8287 298.9124 -113.5532 -79.1472 558204.5091 7.4401 7.4081 PRESSURE: 680000 -326.979 95.6449 -111.276 95.6455 212.319 -68.3426 -111.276 -68.3412 167.598 GPRESSURE: 680000 -286.82 79.5591 -99.5065 131.069 262.018 -89.496 -110.298 -23.7459 170.622 PRESSAVG: 680000 23.2661 23.0343 -2.0964 23.0344 43.5425 -10.8944 -2.09645 -10.8944 -14.5484 GPRESSAVG: 680000 23.179 24.1846 -3.31087 23.1944 42.6021 -7.93231 -1.88901 -13.8024 -13.9592 TIMING: 680000 CPU: 1975.61, 0.0029316/step Wall: 1975.61, 0.0029316/step, 3.51792 hours remaining, 206.742188 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: 680000 789.2766 2043.5381 1965.9022 105.8858 -206246.2167 17801.8113 0.0000 0.0000 34177.1070 -149362.6957 298.4772 -183539.8027 -149270.7862 298.5779 17.6460 48.6066 558081.8035 17.4201 17.2740 PRESSURE: 680200 -103.43 3.82785 -154.05 3.82709 -274.677 135.748 -154.049 135.746 -194.314 GPRESSURE: 680200 -55.0341 -56.3629 -83.1979 74.9831 -199.736 69.3215 -179.603 171.148 -216.529 PRESSAVG: 680200 -28.2664 92.2836 3.53705 92.2835 -7.18383 5.66012 3.53694 5.66017 45.782 GPRESSAVG: 680200 -28.0206 92.1458 5.63869 93.6243 -6.20117 3.26354 3.86517 9.40729 44.3401 TIMING: 680200 CPU: 1976.19, 0.00290987/step Wall: 1976.19, 0.00290987/step, 3.49168 hours remaining, 206.742188 MB of memory in use. ENERGY: 680200 751.3373 2133.9109 1976.5741 126.1847 -205698.6326 17493.9093 0.0000 0.0000 33863.7644 -149352.9518 295.7407 -183216.7162 -149263.6580 298.3717 -190.8070 -157.0996 559109.7452 3.4439 3.3728 LDB: ============= START OF LOAD BALANCING ============== 1979.66 LDB: ============== END OF LOAD BALANCING =============== 1979.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1979.66 LDB: ============= START OF LOAD BALANCING ============== 1979.95 LDB: Largest compute 4820 load 0.027915 is 23.7% of average load 0.117547 LDB: Average compute 0.001742 is 1.5% of average load 0.117547 LDB: TIME 1979.95 LOAD: AVG 0.117547 MAX 0.181029 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 1979.95 LOAD: AVG 0.117547 MAX 0.181029 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.695 MB LDB: TIME 1979.95 LOAD: AVG 0.117547 MAX 0.181029 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1979.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1979.96 PRESSURE: 680400 48.6106 -0.113601 72.2365 -0.113918 -213.746 78.7917 72.236 78.7903 -276.504 GPRESSURE: 680400 84.4909 -16.507 78.7993 -6.9695 -174.579 55.7964 46.8884 125.618 -262.734 PRESSAVG: 680400 33.7142 -7.15905 -13.4159 -7.15908 -25.8505 43.6563 -13.4159 43.6564 -43.479 GPRESSAVG: 680400 33.0088 -7.50679 -14.7991 -7.34308 -26.25 43.4228 -13.2953 40.5364 -42.6672 TIMING: 680400 CPU: 1976.79, 0.00296404/step Wall: 1976.79, 0.00296404/step, 3.55652 hours remaining, 204.496094 MB of memory in use. ENERGY: 680400 764.0134 2039.9775 1973.6045 109.1335 -205954.4263 17762.8244 0.0000 0.0000 34099.7471 -149205.1259 297.8016 -183304.8730 -149106.4913 298.6111 -147.2131 -117.6074 559545.7634 -11.8718 -11.9695 PRESSURE: 680600 87.6948 -84.5483 -65.7988 -84.5482 36.5752 -61.891 -65.7981 -61.8904 189.656 GPRESSURE: 680600 137.584 -150.068 -46.0684 -37.3603 79.4921 -32.3914 -121.993 -47.224 182.297 PRESSAVG: 680600 18.434 23.4998 31.2939 23.4998 5.47579 20.4062 31.294 20.4062 -23.7108 GPRESSAVG: 680600 17.8502 24.5248 30.5626 22.7531 7.13579 21.5267 29.5263 21.4928 -24.6325 TIMING: 680600 CPU: 1977.37, 0.0029177/step Wall: 1977.37, 0.0029177/step, 3.50075 hours remaining, 204.496094 MB of memory in use. ENERGY: 680600 746.3532 2087.0465 1961.6588 129.4107 -206660.1027 18037.6342 0.0000 0.0000 34321.1507 -149376.8487 299.7351 -183697.9994 -149285.2453 298.4072 104.6419 133.1243 557797.7982 0.0663 0.1178 PRESSURE: 680800 122.478 21.5525 29.0469 21.5525 -171.706 -152.945 29.0471 -152.946 -219.339 GPRESSURE: 680800 123.714 21.909 87.0216 63.3441 -95.145 -72.0148 8.44644 -193.388 -210.051 PRESSAVG: 680800 12.4202 45.9402 -5.72091 45.9403 -5.70777 -19.8909 -5.72086 -19.891 46.6196 GPRESSAVG: 680800 11.3021 45.6663 -4.98675 44.9231 -5.52224 -20.1367 -4.60757 -21.6548 47.8302 TIMING: 680800 CPU: 1977.95, 0.00290828/step Wall: 1977.95, 0.00290828/step, 3.48929 hours remaining, 204.558594 MB of memory in use. ENERGY: 680800 754.2948 2071.5069 1983.8287 118.0314 -206235.3297 17747.2289 0.0000 0.0000 34062.5545 -149497.8846 297.4768 -183560.4391 -149400.2550 298.1014 -89.5220 -60.4939 558965.1615 17.7773 17.8700 PRESSURE: 681000 -323.942 90.1034 -26.3771 90.1044 -125.196 -73.4791 -26.3774 -73.4787 -274.453 GPRESSURE: 681000 -301.835 79.1606 -29.1472 72.0557 -55.5702 -119.518 -53.6553 -54.4673 -268.836 PRESSAVG: 681000 27.7576 -6.34626 -1.77412 -6.34624 11.5486 -59.4673 -1.77406 -59.4673 -37.781 GPRESSAVG: 681000 28.368 -7.15312 -0.842613 -5.33183 9.59942 -58.0242 -2.33127 -58.8731 -36.8642 TIMING: 681000 CPU: 1978.54, 0.00292718/step Wall: 1978.54, 0.00292718/step, 3.5118 hours remaining, 204.621094 MB of memory in use. ENERGY: 681000 747.1744 2068.5028 1982.5742 112.1821 -206119.1605 17613.8559 0.0000 0.0000 34125.0434 -149469.8276 298.0225 -183594.8710 -149363.9306 298.6464 -241.1967 -208.7470 559269.8856 0.5084 0.3677 PRESSURE: 681200 -20.0469 -122.181 221.637 -122.182 -330.657 -5.36308 221.637 -5.36476 149.516 GPRESSURE: 681200 44.7646 -63.0832 206.44 -158.986 -273.665 25.6736 230.075 47.6833 133.82 PRESSAVG: 681200 2.21822 4.3304 6.9717 4.33039 -45.3568 -55.8486 6.97168 -55.8487 34.1877 GPRESSAVG: 681200 1.9004 4.92872 6.86142 4.94858 -45.4685 -55.2635 7.01131 -56.758 34.5284 TIMING: 681200 CPU: 1979.12, 0.0029086/step Wall: 1979.12, 0.0029086/step, 3.48935 hours remaining, 204.621094 MB of memory in use. ENERGY: 681200 753.6113 2135.6553 1988.5898 126.4695 -206327.7592 17792.0632 0.0000 0.0000 34073.4841 -149457.8860 297.5722 -183531.3700 -149359.2578 297.9872 -67.0628 -31.6934 558051.2682 -2.9836 -3.0132 PRESSURE: 681400 -88.3201 45.9523 -80.6588 45.9512 -421.321 -100.894 -80.6589 -100.895 -165.995 GPRESSURE: 681400 -94.221 -12.0544 -138.895 28.7196 -413.586 -42.7865 -89.9001 -63.0925 -56.6924 PRESSAVG: 681400 13.5427 -32.8328 14.5383 -32.8328 -8.77724 -35.5135 14.5383 -35.5135 21.4055 GPRESSAVG: 681400 13.4043 -32.2069 14.7477 -32.6018 -8.45415 -36.7676 15.1266 -35.4714 21.3926 TIMING: 681400 CPU: 1979.7, 0.00291183/step Wall: 1979.7, 0.00291183/step, 3.49306 hours remaining, 204.621094 MB of memory in use. ENERGY: 681400 758.8249 2117.2730 1948.5497 116.8581 -206111.1183 17659.1979 0.0000 0.0000 34198.9071 -149311.5075 298.6676 -183510.4146 -149224.6843 298.0723 -225.2119 -188.1663 560069.9280 8.7237 8.7809 PRESSURE: 681600 125.187 22.1055 -31.8608 22.1032 48.2065 35.6386 -31.8615 35.6392 -174.434 GPRESSURE: 681600 167.841 -101.408 -62.0523 145.934 99.6825 -35.193 -90.5929 68.0172 -156.314 PRESSAVG: 681600 -71.9198 16.1242 4.5067 16.1242 84.577 -16.4246 4.5067 -16.4246 -17.0039 GPRESSAVG: 681600 -72.5441 15.6018 1.71261 17.0531 84.7714 -15.2523 4.92484 -15.9212 -16.714 TIMING: 681600 CPU: 1980.28, 0.00288855/step Wall: 1980.28, 0.00288855/step, 3.46498 hours remaining, 204.621094 MB of memory in use. ENERGY: 681600 746.9603 2132.0657 1965.7938 125.0899 -206531.5021 17900.8225 0.0000 0.0000 34431.3408 -149229.4291 300.6975 -183660.7699 -149139.8399 298.8687 -0.3471 37.0697 557392.8773 -1.4489 -1.4956 PRESSURE: 681800 -306.473 -91.4583 97.5387 -91.4585 -124.032 39.1137 97.5381 39.1148 -137.64 GPRESSURE: 681800 -235.441 -163.77 232.378 -36.0971 -144.811 60.6981 -3.59044 47.8678 -85.6059 PRESSAVG: 681800 -21.9033 1.26591 8.38967 1.26596 58.994 -46.6451 8.38978 -46.6449 22.2505 GPRESSAVG: 681800 -21.0721 0.0100103 9.11764 2.0103 60.0337 -48.756 9.03817 -44.5266 20.0035 TIMING: 681800 CPU: 1980.86, 0.00290983/step Wall: 1980.86, 0.00290983/step, 3.49034 hours remaining, 204.621094 MB of memory in use. ENERGY: 681800 756.1136 2115.0660 1959.1747 116.3141 -205970.8351 17584.9330 0.0000 0.0000 34105.4199 -149333.8137 297.8511 -183439.2337 -149243.0725 298.9807 -189.3816 -155.2858 558940.4903 19.7804 19.6550 PRESSURE: 682000 72.0869 98.3596 54.6476 98.3609 -146.965 223.574 54.6481 223.573 28.0909 GPRESSURE: 682000 163.187 104.622 105.398 65.7074 -119.069 198.639 29.4692 77.8522 5.81545 PRESSAVG: 682000 -16.6723 0.293313 -13.587 0.293292 -7.93172 -0.783801 -13.587 -0.783786 -28.2934 GPRESSAVG: 682000 -17.0678 0.412767 -11.9063 -2.67571 -8.86061 1.1644 -17.9038 -3.69315 -26.8099 TIMING: 682000 CPU: 1981.44, 0.00289829/step Wall: 1981.44, 0.00289829/step, 3.47633 hours remaining, 204.621094 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: 682000 739.5925 2078.4938 1962.0887 117.4655 -206096.2752 17815.3872 0.0000 0.0000 34234.5824 -149148.6651 298.9791 -183383.2475 -149051.4886 298.5501 -15.5956 16.6445 558892.7460 -17.6325 -17.5794 PRESSURE: 682200 -11.691 -172.441 94.1365 -172.439 188.948 -153.11 94.137 -153.11 -34.1335 GPRESSURE: 682200 95.7065 -251.577 103.383 -139.512 164.149 -130.593 65.9286 -197.196 -15.8609 PRESSAVG: 682200 -37.4541 14.7249 -3.86092 14.7249 82.3065 4.25471 -3.86098 4.25477 -40.7504 GPRESSAVG: 682200 -36.4174 14.7169 -5.9352 15.738 82.2334 1.99083 -1.9098 5.63967 -41.4174 TIMING: 682200 CPU: 1982.03, 0.00293319/step Wall: 1982.03, 0.00293319/step, 3.51804 hours remaining, 204.621094 MB of memory in use. ENERGY: 682200 775.0948 2048.0499 1974.4744 106.2178 -206330.9246 18118.2228 0.0000 0.0000 34294.8932 -149013.9718 299.5058 -183308.8649 -148915.2751 299.7774 47.7080 81.3316 558986.3901 1.3673 1.4662 PRESSURE: 682400 -148.833 121.364 -19.2957 121.365 -126.866 -147.098 -19.2964 -147.096 -95.92 GPRESSURE: 682400 -84.5277 82.72 -6.28036 138.977 -75.8771 -44.8921 -77.3444 -190.306 -107.517 PRESSAVG: 682400 64.2064 1.49342 -85.5973 1.49339 26.3609 4.87142 -85.5974 4.87128 -81.2237 GPRESSAVG: 682400 63.5221 3.21635 -85.3866 1.29272 27.0974 6.22538 -86.2773 2.58026 -81.7858 TIMING: 682400 CPU: 1982.61, 0.00291569/step Wall: 1982.61, 0.00291569/step, 3.49688 hours remaining, 204.621094 MB of memory in use. ENERGY: 682400 781.0485 2080.6192 1967.4180 111.0495 -206062.4185 17671.2078 0.0000 0.0000 34241.2793 -149209.7962 299.0376 -183451.0755 -149114.6018 300.0046 -123.8730 -89.3073 557933.6612 3.1145 2.9445 PRESSURE: 682600 53.2148 -98.7006 76.0519 -98.7009 148.909 -210.762 76.0526 -210.762 -149.477 GPRESSURE: 682600 96.1763 -113.921 15.3046 -142.08 183.133 -194.401 110.685 -187.791 -118.693 PRESSAVG: 682600 39.5066 -20.2992 -13.0682 -20.2992 -16.3974 -63.7632 -13.0683 -63.7632 -22.9774 GPRESSAVG: 682600 37.9277 -20.0639 -12.6526 -21.4363 -16.9665 -63.1888 -12.1884 -60.8959 -21.1929 TIMING: 682600 CPU: 1983.19, 0.00290505/step Wall: 1983.19, 0.00290505/step, 3.48396 hours remaining, 204.621094 MB of memory in use. ENERGY: 682600 758.7977 2083.0440 1963.5476 118.6699 -206692.0971 17960.9228 0.0000 0.0000 34491.0164 -149316.0987 301.2186 -183807.1151 -149211.1692 299.0156 17.5488 53.5387 556407.5380 0.0439 -0.0772 PRESSURE: 682800 -134.837 -84.254 -28.5901 -84.2544 19.8859 30.6114 -28.59 30.6128 230.401 GPRESSURE: 682800 -125.697 -100.453 -12.5904 -7.71575 26.6253 54.6509 -75.8071 -51.8978 309.237 PRESSAVG: 682800 10.4929 -42.9863 7.39306 -42.9864 54.6183 -18.9509 7.39319 -18.9508 -15.0681 GPRESSAVG: 682800 10.9316 -43.4888 9.51717 -41.0974 53.9936 -20.3901 7.3502 -19.9987 -14.8994 TIMING: 682800 CPU: 1983.77, 0.00290245/step Wall: 1983.77, 0.00290245/step, 3.48068 hours remaining, 204.621094 MB of memory in use. ENERGY: 682800 745.7342 2120.5630 1963.3713 119.1013 -206442.8145 17838.1752 0.0000 0.0000 34181.3695 -149474.4999 298.5144 -183655.8695 -149376.1550 299.0400 38.4832 70.0553 556800.0324 16.6810 16.6753 PRESSURE: 683000 -31.71 -69.2301 86.9565 -69.2295 -187.294 54.2171 86.956 54.218 64.9833 GPRESSURE: 683000 10.1477 -34.5136 127.399 -32.998 -130.997 -9.62338 -4.11649 98.1704 80.5254 PRESSAVG: 683000 98.7483 -7.99535 -8.22155 -7.99532 -63.0259 2.19078 -8.22157 2.19072 -21.9622 GPRESSAVG: 683000 100.448 -7.79075 -10.7701 -9.09897 -63.9347 0.950968 -8.33816 3.27521 -22.6192 TIMING: 683000 CPU: 1984.35, 0.00291304/step Wall: 1984.35, 0.00291304/step, 3.49322 hours remaining, 204.621094 MB of memory in use. ENERGY: 683000 754.3326 2120.2333 1964.3102 112.0822 -206289.4876 17643.6420 0.0000 0.0000 34177.2485 -149517.6388 298.4784 -183694.8872 -149412.2894 298.5577 -51.3401 -13.4411 556813.2893 4.5867 4.6313 PRESSURE: 683200 147.623 -145.933 66.501 -145.931 -81.0208 111.672 66.4994 111.673 -378.928 GPRESSURE: 683200 167.663 -90.8548 72.7713 -142.918 -60.23 123.374 14.7524 104.955 -333.492 PRESSAVG: 683200 67.0455 -22.0744 40.9664 -22.0744 -24.7961 9.46564 40.9665 9.46569 -35.1711 GPRESSAVG: 683200 66.092 -24.0973 41.2808 -21.9459 -23.7878 12.8971 40.5873 8.19622 -35.189 TIMING: 683200 CPU: 1984.94, 0.00291878/step Wall: 1984.94, 0.00291878/step, 3.49995 hours remaining, 204.621094 MB of memory in use. ENERGY: 683200 734.8795 2125.7980 1943.4050 104.4071 -206307.1610 17787.5754 0.0000 0.0000 34098.8654 -149512.2306 297.7939 -183611.0960 -149401.0230 298.9356 -104.1085 -75.3533 556798.1985 2.3594 2.3717 PRESSURE: 683400 -274.364 -2.10452 55.5667 -2.1047 -368.99 -65.0581 55.5664 -65.058 -326.08 GPRESSURE: 683400 -203.033 128.165 -11.8443 8.55541 -327.185 -63.4934 90.6414 -185.578 -353.18 PRESSAVG: 683400 43.2677 -34.568 20.1345 -34.5679 18.7455 -80.4444 20.1346 -80.4445 -56.7945 GPRESSAVG: 683400 42.4913 -33.6895 20.6426 -33.5823 20.5266 -81.736 22.3385 -80.2043 -58.1758 TIMING: 683400 CPU: 1985.52, 0.00292609/step Wall: 1985.52, 0.00292609/step, 3.50855 hours remaining, 204.621094 MB of memory in use. ENERGY: 683400 774.6255 2074.1021 1968.7176 112.0575 -206041.0764 17451.7972 0.0000 0.0000 34139.9677 -149519.8087 298.1528 -183659.7764 -149422.2792 297.7984 -323.1447 -294.4660 558500.6447 1.7396 1.6141 PRESSURE: 683600 120.212 31.3679 94.1376 31.3676 -27.409 -3.48683 94.137 -3.48712 -35.0418 GPRESSURE: 683600 168.039 46.7732 166.989 -28.3016 -43.143 5.86077 42.9412 24.0742 27.4368 PRESSAVG: 683600 7.30164 5.82716 35.2002 5.82712 33.6177 -30.7739 35.2001 -30.774 -46.8841 GPRESSAVG: 683600 8.2804 8.52071 35.4517 4.16387 31.9209 -30.0822 34.3706 -31.0229 -46.3191 TIMING: 683600 CPU: 1986.11, 0.00294346/step Wall: 1986.11, 0.00294346/step, 3.52921 hours remaining, 204.621094 MB of memory in use. ENERGY: 683600 716.8528 2090.2415 1954.7172 119.6375 -206204.5619 17704.7772 0.0000 0.0000 34003.8507 -149614.4851 296.9641 -183618.3358 -149520.5234 298.0531 19.2539 50.7776 557811.8847 -1.9883 -2.0393 PRESSURE: 683800 140.093 106.029 120.962 106.029 -169.3 -173.049 120.961 -173.048 -165.328 GPRESSURE: 683800 156.228 52.1873 34.5958 130.667 -106.07 -89.8379 170.52 -258.631 -138.117 PRESSAVG: 683800 98.0682 -2.4668 45.8525 -2.46679 -77.3889 -61.6747 45.8525 -61.6747 -40.6968 GPRESSAVG: 683800 96.9307 -5.08428 46.2989 -0.847965 -77.1112 -60.9086 45.4572 -62.7385 -40.2948 TIMING: 683800 CPU: 1986.69, 0.00292091/step Wall: 1986.69, 0.00292091/step, 3.50201 hours remaining, 204.621094 MB of memory in use. ENERGY: 683800 754.5746 2052.7388 1991.6741 106.4333 -205803.7102 17513.1145 0.0000 0.0000 34000.3786 -149384.7963 296.9338 -183385.1749 -149288.3760 297.6423 -64.8447 -29.3196 556180.5211 -6.6725 -6.8251 PRESSURE: 684000 323.158 106.78 -125.905 106.78 258.993 -109.528 -125.905 -109.526 29.9695 GPRESSURE: 684000 321.549 101.54 -157.46 65.2479 292.874 -146.179 -70.945 -172.736 82.8514 PRESSAVG: 684000 116.804 70.1214 -5.25409 70.1214 -8.71433 -17.0236 -5.25413 -17.0236 -47.8329 GPRESSAVG: 684000 116.878 72.931 -5.87349 67.7342 -8.71837 -19.197 -5.78135 -15.0521 -47.4886 TIMING: 684000 CPU: 1987.28, 0.00290591/step Wall: 1987.28, 0.00290591/step, 3.48387 hours remaining, 204.621094 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: 684000 725.8648 2134.8993 1960.9183 105.0152 -206402.4773 17959.5741 0.0000 0.0000 34052.6099 -149463.5956 297.3899 -183516.2055 -149378.2397 298.1499 204.0403 232.4249 554313.4852 20.0856 20.2236 PRESSURE: 684200 14.3053 58.309 17.2589 58.3089 226.178 -227.418 17.259 -227.419 253.057 GPRESSURE: 684200 64.4581 37.6316 108.835 66.3416 250.051 -251.631 -41.027 -177.599 271.397 PRESSAVG: 684200 5.7235 37.2299 -0.148257 37.2299 -1.94023 -41.623 -0.148387 -41.623 -14.8168 GPRESSAVG: 684200 6.15217 36.0693 1.19907 37.5907 -2.40439 -41.1351 -0.845932 -42.8488 -15.1854 TIMING: 684200 CPU: 1987.86, 0.00289837/step Wall: 1987.86, 0.00289837/step, 3.47466 hours remaining, 204.621094 MB of memory in use. ENERGY: 684200 747.3790 2067.9631 1999.0284 113.1771 -206756.0899 18071.5988 0.0000 0.0000 34217.2030 -149539.7404 298.8273 -183756.9434 -149440.5741 298.0604 164.5134 195.3019 555738.6637 -3.6778 -3.8125 LDB: ============= START OF LOAD BALANCING ============== 1991.32 LDB: ============== END OF LOAD BALANCING =============== 1991.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1991.32 LDB: ============= START OF LOAD BALANCING ============== 1991.61 LDB: Largest compute 4820 load 0.028153 is 23.9% of average load 0.117573 LDB: Average compute 0.001744 is 1.5% of average load 0.117573 LDB: TIME 1991.61 LOAD: AVG 0.117573 MAX 0.177162 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.211 MB LDB: TIME 1991.61 LOAD: AVG 0.117573 MAX 0.177162 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.246 MB LDB: TIME 1991.61 LOAD: AVG 0.117573 MAX 0.177162 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1991.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1991.62 PRESSURE: 684400 201.809 -7.3791 158.074 -7.37804 43.1203 -308.12 158.074 -308.12 305.552 GPRESSURE: 684400 172.744 4.7139 160.06 -59.8151 161.126 -354.971 198.491 -230.85 297.277 PRESSAVG: 684400 33.3211 79.8274 27.4748 79.8273 -16.4174 -55.287 27.4748 -55.2872 25.7214 GPRESSAVG: 684400 32.7556 80.0134 26.41 77.9582 -16.3584 -57.5795 26.2584 -54.0333 25.6814 TIMING: 684400 CPU: 1988.45, 0.00294934/step Wall: 1988.45, 0.00294934/step, 3.5356 hours remaining, 204.757812 MB of memory in use. ENERGY: 684400 751.5653 2070.2532 1995.3173 105.7259 -206545.0057 17996.6774 0.0000 0.0000 34114.0723 -149511.3943 297.9267 -183625.4666 -149414.4670 297.6256 183.4937 210.3825 555448.6792 14.2084 14.0262 PRESSURE: 684600 33.0211 -188.063 92.8773 -188.062 -142.751 -70.3326 92.8773 -70.331 172.442 GPRESSURE: 684600 65.4015 -63.1192 84.0838 -241.353 -112.922 -104.874 93.2146 -38.7452 205.763 PRESSAVG: 684600 13.5627 -4.74359 56.6347 -4.7435 -39.5311 -2.57018 56.6347 -2.57002 28.8903 GPRESSAVG: 684600 13.7481 -4.33066 56.5217 -3.38633 -40.1657 0.439464 58.7858 -3.92753 29.3055 TIMING: 684600 CPU: 1989.03, 0.00290406/step Wall: 1989.03, 0.00290406/step, 3.48116 hours remaining, 204.757812 MB of memory in use. ENERGY: 684600 754.3661 2080.1039 1983.4891 108.8854 -206311.7391 17925.4682 0.0000 0.0000 34134.6162 -149324.8102 298.1061 -183459.4264 -149222.2522 298.0138 20.9042 52.7476 557434.0635 0.9740 0.9626 PRESSURE: 684800 -49.602 41.3185 69.513 41.3181 36.9868 53.7536 69.5124 53.7542 -197.218 GPRESSURE: 684800 -61.7433 78.908 39.2976 10.2782 65.6348 71.3859 118.208 -32.2317 -113.016 PRESSAVG: 684800 70.0456 -30.4362 51.067 -30.4361 -15.5926 18.2055 51.0671 18.2057 -23.1483 GPRESSAVG: 684800 69.5319 -31.5649 50.2604 -28.9274 -15.8317 15.7302 52.2478 18.9306 -22.5229 TIMING: 684800 CPU: 1989.6, 0.00288986/step Wall: 1989.6, 0.00288986/step, 3.46398 hours remaining, 204.960938 MB of memory in use. ENERGY: 684800 784.1191 2118.1910 1968.0709 104.0230 -206643.1727 17875.3758 0.0000 0.0000 34259.2883 -149534.1047 299.1949 -183793.3930 -149433.2195 298.6089 -69.9445 -36.3747 557369.9983 10.4349 10.3925 PRESSURE: 685000 13.112 -85.0845 13.4839 -85.0849 -12.8041 -150.462 13.4828 -150.458 122.908 GPRESSURE: 685000 111.488 -107.004 -19.1851 -91.6857 10.9961 -72.6027 11.227 -155.861 104.813 PRESSAVG: 685000 -10.4257 -48.8907 63.5192 -48.8907 -0.514272 -95.3733 63.5191 -95.3733 15.9284 GPRESSAVG: 685000 -10.069 -48.5958 63.8221 -49.1615 0.185756 -95.2769 61.0666 -95.412 14.471 TIMING: 685000 CPU: 1990.19, 0.00290796/step Wall: 1990.19, 0.00290796/step, 3.48551 hours remaining, 204.960938 MB of memory in use. ENERGY: 685000 752.2377 2074.6033 1969.0381 102.0890 -206522.7981 17940.9689 0.0000 0.0000 34226.9886 -149456.8725 298.9128 -183683.8612 -149366.9338 299.2117 41.0719 75.7654 557206.8140 1.6628 1.5293 PRESSURE: 685200 130.442 92.4835 158.111 92.4823 138.733 -5.77202 158.111 -5.77337 197.666 GPRESSURE: 685200 190.502 24.5907 96.0399 84.6651 127.647 -23.6264 146.894 -47.629 254.833 PRESSAVG: 685200 40.9585 35.1007 29.4531 35.1006 -46.6069 -10.3685 29.4531 -10.3686 19.506 GPRESSAVG: 685200 40.5819 35.8007 28.86 32.0116 -46.9052 -9.86324 29.4667 -10.4291 20.1748 TIMING: 685200 CPU: 1990.77, 0.00294449/step Wall: 1990.77, 0.00294449/step, 3.52913 hours remaining, 204.960938 MB of memory in use. ENERGY: 685200 727.5914 2101.7301 1992.1654 118.1395 -206631.1220 18019.6434 0.0000 0.0000 34218.1916 -149453.6606 298.8360 -183671.8522 -149359.5839 298.7842 155.6136 190.9940 555931.9007 4.6192 4.6172 PRESSURE: 685400 -15.4409 36.3442 -171.886 36.3437 -97.5171 204.221 -171.887 204.221 177.302 GPRESSURE: 685400 37.3168 50.4011 -193.052 82.517 -92.9303 186.11 -90.0746 121.994 218.328 PRESSAVG: 685400 -64.5344 19.554 26.3413 19.554 -38.0872 81.6659 26.3413 81.6659 71.0818 GPRESSAVG: 685400 -63.3071 18.7584 27.0768 21.394 -38.1077 82.5339 27.836 81.3845 69.6547 TIMING: 685400 CPU: 1991.36, 0.0029056/step Wall: 1991.36, 0.0029056/step, 3.48236 hours remaining, 204.960938 MB of memory in use. ENERGY: 685400 721.9731 2061.9206 1954.3546 105.3994 -206472.3305 17897.5607 0.0000 0.0000 34227.2376 -149503.8846 298.9150 -183731.1222 -149404.2827 298.4576 21.4481 54.2383 556779.9477 -10.5132 -10.5867 PRESSURE: 685600 -38.7371 -2.12343 0.636455 -2.12182 92.5847 107.993 0.637612 107.992 256.769 GPRESSURE: 685600 13.4378 -23.7837 74.5315 -14.2171 94.8943 104.39 -62.4871 117.346 308.817 PRESSAVG: 685600 -29.2692 -38.5082 -5.99937 -38.5081 30.4049 22.4492 -5.99928 22.4492 60.6002 GPRESSAVG: 685600 -30.2119 -40.54 -6.7871 -38.155 30.3882 21.2789 -5.78612 20.5407 61.7994 TIMING: 685600 CPU: 1991.94, 0.00291854/step Wall: 1991.94, 0.00291854/step, 3.49771 hours remaining, 205.031250 MB of memory in use. ENERGY: 685600 719.5178 2113.8423 1997.5062 116.3394 -206473.5712 17911.4245 0.0000 0.0000 34185.5958 -149429.3453 298.5513 -183614.9411 -149331.6528 298.4646 103.5388 139.0498 556332.8376 20.5786 20.6586 PRESSURE: 685800 234.909 -48.575 54.4509 -48.5755 34.4798 88.9674 54.4512 88.9668 -264.464 GPRESSURE: 685800 216.923 -115.703 168.263 9.54927 36.778 36.3599 -9.23193 99.6438 -154.453 PRESSAVG: 685800 -9.14392 28.3079 26.4979 28.3079 28.2106 -17.4744 26.4978 -17.4744 8.84663 GPRESSAVG: 685800 -9.79665 29.8436 28.0318 26.5962 29.3262 -17.5752 26.2093 -16.1294 8.57819 TIMING: 685800 CPU: 1992.52, 0.00290691/step Wall: 1992.52, 0.00290691/step, 3.4836 hours remaining, 205.031250 MB of memory in use. ENERGY: 685800 707.8074 2146.0838 1972.6384 114.8671 -206409.1953 17860.6260 0.0000 0.0000 34174.8088 -149432.3639 298.4571 -183607.1726 -149333.9036 298.5823 1.6417 33.0825 557216.6759 9.3044 9.3692 PRESSURE: 686000 25.9145 7.24285 -87.422 7.24252 174.952 8.29365 -87.4224 8.29388 91.6191 GPRESSURE: 686000 117.493 -54.7595 -122.895 99.2619 212.819 25.9436 -119.079 24.423 77.3636 PRESSAVG: 686000 54.0877 -52.8445 -31.2909 -52.8445 -20.4085 -41.3329 -31.2909 -41.3328 -60.2137 GPRESSAVG: 686000 55.0377 -52.8048 -34.4072 -51.1218 -22.2564 -39.857 -30.5884 -41.1451 -59.7097 TIMING: 686000 CPU: 1993.1, 0.00291841/step Wall: 1993.1, 0.00291841/step, 3.49723 hours remaining, 205.031250 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: 686000 721.7037 2091.4291 1975.7705 117.0126 -206597.3896 17998.7477 0.0000 0.0000 34132.8504 -149559.8757 298.0907 -183692.7261 -149462.7094 298.8458 97.4953 135.8919 556187.1305 -8.8449 -8.9761 PRESSURE: 686200 62.3727 -26.0778 51.3135 -26.0768 -3.69831 -94.8654 51.3133 -94.865 140.021 GPRESSURE: 686200 104.847 -78.8296 136.099 -24.4243 -2.69717 -93.6817 56.5739 -107.711 191.197 PRESSAVG: 686200 -3.89897 52.9972 -88.7962 52.9972 1.96028 -30.0174 -88.7962 -30.0172 4.01298 GPRESSAVG: 686200 -3.60651 55.4621 -85.1977 49.3654 1.9582 -31.8169 -90.6464 -28.8631 3.20223 TIMING: 686200 CPU: 1993.69, 0.00290978/step Wall: 1993.69, 0.00290978/step, 3.48673 hours remaining, 205.031250 MB of memory in use. ENERGY: 686200 713.7232 2074.4916 1989.9173 121.9900 -206475.9115 17884.9959 0.0000 0.0000 34151.1979 -149539.5956 298.2509 -183690.7935 -149444.6427 298.3446 66.2317 97.7824 558273.1491 0.6914 0.5180 PRESSURE: 686400 -214.731 109.128 0.194733 109.129 270.502 46.9301 0.194458 46.9319 -5.69916 GPRESSURE: 686400 -149.732 94.4469 29.3558 101.912 284.891 96.4662 -38.6006 88.1545 1.50241 PRESSAVG: 686400 59.1455 -21.5352 -35.125 -21.5352 21.4187 -38.1637 -35.1251 -38.1637 -44.0326 GPRESSAVG: 686400 57.8701 -24.5358 -36.3282 -17.5908 22.8991 -38.7223 -34.473 -38.4461 -44.1015 TIMING: 686400 CPU: 1994.27, 0.00290129/step Wall: 1994.27, 0.00290129/step, 3.47639 hours remaining, 205.031250 MB of memory in use. ENERGY: 686400 753.5760 2092.6124 1986.8567 112.6766 -206603.8490 17924.3469 0.0000 0.0000 34132.1551 -149601.6253 298.0846 -183733.7804 -149507.8682 298.1863 16.6906 45.5538 557033.3940 12.1772 12.2225 PRESSURE: 686600 57.2389 -173.875 162.659 -173.876 53.0069 -90.6409 162.659 -90.6397 -156.91 GPRESSURE: 686600 129.673 -174.912 152.221 -108.159 65.6175 -60.4888 175.556 -71.8396 -138.06 PRESSAVG: 686600 32.5115 -20.9243 -13.8704 -20.9242 0.694282 3.53506 -13.8705 3.53506 -19.6962 GPRESSAVG: 686600 32.3252 -21.481 -15.8367 -23.0933 0.776289 4.64725 -12.2408 5.1418 -18.8562 TIMING: 686600 CPU: 1994.85, 0.002901/step Wall: 1994.85, 0.002901/step, 3.47589 hours remaining, 205.031250 MB of memory in use. ENERGY: 686600 759.1230 2068.6925 1963.7444 102.8907 -206582.9381 17993.6855 0.0000 0.0000 34216.5603 -149478.2417 298.8217 -183694.8020 -149375.7525 298.2167 -15.5548 19.0767 557076.9492 4.5032 4.7484 PRESSURE: 686800 -56.3385 -35.1423 -158.116 -35.1432 29.769 36.4124 -158.117 36.415 105.8 GPRESSURE: 686800 -56.1221 -62.0337 -127.748 -72.738 52.9965 45.5475 -216.462 107.847 191.374 PRESSAVG: 686800 -26.9308 -22.7856 3.12224 -22.7855 25.2414 -36.8007 3.12222 -36.8005 8.0168 GPRESSAVG: 686800 -26.628 -21.3999 4.50519 -22.1349 25.1688 -37.1872 2.07697 -39.5271 7.81261 TIMING: 686800 CPU: 1995.42, 0.00288653/step Wall: 1995.42, 0.00288653/step, 3.45838 hours remaining, 205.031250 MB of memory in use. ENERGY: 686800 765.6074 2121.3677 1964.1153 121.3077 -206302.8403 17733.8372 0.0000 0.0000 34320.8939 -149275.7110 299.7329 -183596.6049 -149179.1418 299.4113 26.4101 62.7493 557278.0854 2.1092 2.1178 PRESSURE: 687000 -105.297 149.629 233.368 149.628 -258.542 28.8143 233.367 28.8151 21.2162 GPRESSURE: 687000 -82.0934 140.002 168.084 110.049 -228.175 -59.2851 250.112 80.7479 62.9944 PRESSAVG: 687000 49.3847 13.6231 29.0982 13.6231 -9.05216 2.26409 29.0981 2.26411 -23.7328 GPRESSAVG: 687000 49.5926 15.4761 28.0129 13.2514 -8.98593 3.1278 30.4511 2.71868 -23.4466 TIMING: 687000 CPU: 1996, 0.00289569/step Wall: 1996, 0.00289569/step, 3.4692 hours remaining, 205.031250 MB of memory in use. ENERGY: 687000 768.9350 2054.4915 1998.3696 114.1235 -206361.1509 17888.3997 0.0000 0.0000 34198.7611 -149338.0705 298.6663 -183536.8316 -149243.7894 299.5792 -114.2074 -82.4246 558598.4691 5.5333 5.7200 PRESSURE: 687200 -258.437 -54.0914 -14.307 -54.092 91.3494 -35.7954 -14.3076 -35.7949 -100.468 GPRESSURE: 687200 -221.888 -77.1631 -21.9315 -44.8137 90.1033 91.6334 18.4477 -62.0853 -51.5067 PRESSAVG: 687200 -23.4862 29.8421 7.11467 29.8421 28.3307 -27.7547 7.11454 -27.7546 17.079 GPRESSAVG: 687200 -23.6936 29.9618 9.46773 30.0449 28.1791 -27.651 5.7416 -28.8507 17.2088 TIMING: 687200 CPU: 1996.58, 0.00288788/step Wall: 1996.58, 0.00288788/step, 3.45969 hours remaining, 205.031250 MB of memory in use. ENERGY: 687200 753.0018 2118.4122 1981.7474 110.7623 -205962.7393 17619.3891 0.0000 0.0000 34103.8761 -149275.5505 297.8376 -183379.4265 -149184.9081 299.2495 -89.1851 -61.0972 557923.6416 7.3078 7.2314 PRESSURE: 687400 -73.697 -19.3547 -92.1936 -19.3559 -119.972 -13.541 -92.193 -13.542 105.344 GPRESSURE: 687400 -24.9428 53.755 -92.217 -14.1944 -97.0083 -56.6038 -16.447 56.9661 127.658 PRESSAVG: 687400 -22.7822 -14.5686 15.9729 -14.5687 -21.7738 -11.9777 15.9729 -11.9777 -5.72438 GPRESSAVG: 687400 -22.6974 -15.8785 14.7668 -14.5315 -21.4131 -12.5376 15.6931 -11.072 -5.36969 TIMING: 687400 CPU: 1997.16, 0.00290891/step Wall: 1997.16, 0.00290891/step, 3.48471 hours remaining, 205.031250 MB of memory in use. ENERGY: 687400 725.7220 2090.5018 1995.1936 114.1483 -206664.1591 17893.6618 0.0000 0.0000 34344.4897 -149500.4418 299.9390 -183844.9315 -149402.4603 299.0786 -29.4415 1.9024 557683.4443 -16.7601 -16.4934 PRESSURE: 687600 257.376 147.587 31.1617 147.586 152.376 -13.4227 31.1607 -13.4206 41.7699 GPRESSURE: 687600 214.511 179.271 56.3624 73.3439 231.682 54.0087 -33.75 -101.612 88.8177 PRESSAVG: 687600 -50.7495 -8.48059 40.729 -8.48065 -9.77717 -20.336 40.729 -20.336 41.4413 GPRESSAVG: 687600 -51.0858 -10.8023 40.6769 -8.59829 -9.06504 -21.5008 41.5233 -19.4931 40.6794 TIMING: 687600 CPU: 1997.74, 0.00289365/step Wall: 1997.74, 0.00289365/step, 3.46627 hours remaining, 205.031250 MB of memory in use. ENERGY: 687600 702.9160 2102.5357 1976.4945 132.0141 -206780.5569 18060.7940 0.0000 0.0000 34252.5466 -149553.2560 299.1360 -183805.8026 -149449.5953 297.9004 150.5073 178.3371 556103.7729 -6.3618 -6.4905 PRESSURE: 687800 12.9509 6.56989 -20.7548 6.56947 69.4048 -23.9754 -20.7545 -23.976 -294.869 GPRESSURE: 687800 36.8359 -33.2894 48.6214 6.664 108.261 -78.4898 -75.2701 -14.7501 -256.603 PRESSAVG: 687800 4.28969 -5.1422 -15.2948 -5.14221 -6.74645 -28.2955 -15.2948 -28.2955 17.8983 GPRESSAVG: 687800 5.3186 -5.62515 -14.803 -6.35303 -7.88595 -26.6963 -17.1086 -28.2196 18.0105 TIMING: 687800 CPU: 1998.32, 0.00287991/step Wall: 1998.32, 0.00287991/step, 3.44965 hours remaining, 205.031250 MB of memory in use. ENERGY: 687800 735.1135 2104.3676 1972.4578 105.3301 -206274.9034 17616.3337 0.0000 0.0000 34150.6711 -149590.6297 298.2463 -183741.3007 -149494.9414 297.4999 -70.8378 -37.1688 556661.2800 5.1472 5.1477 PRESSURE: 688000 -204.665 -8.36586 242.381 -8.36564 17.3092 -224.016 242.38 -224.015 54.6224 GPRESSURE: 688000 -159.354 77.8252 222.42 4.08338 57.8991 -223.927 177.007 -82.251 67.5538 PRESSAVG: 688000 -34.3495 10.0969 29.8775 10.097 32.6022 -21.605 29.8775 -21.6049 -22.7809 GPRESSAVG: 688000 -34.6678 11.0006 28.3335 12.2438 31.9091 -20.2515 31.5488 -22.8772 -21.5976 TIMING: 688000 CPU: 1998.9, 0.00288744/step Wall: 1998.9, 0.00288744/step, 3.45851 hours remaining, 205.031250 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: 688000 770.5934 2105.3103 1999.7379 111.2875 -206571.3815 17786.1213 0.0000 0.0000 34307.8065 -149490.5245 299.6186 -183798.3310 -149400.1535 298.4883 -44.2443 -11.3005 556239.5189 -8.1761 -8.1188 PRESSURE: 688200 185.54 -42.6148 -54.735 -42.6155 85.9581 14.5602 -54.7344 14.5608 165.668 GPRESSURE: 688200 190.413 -80.3357 -97.5518 -67.858 139.695 -98.6127 -54.2105 140.467 204.377 PRESSAVG: 688200 -35.4474 -33.3313 17.3951 -33.3312 70.4029 -19.4121 17.3951 -19.4121 -32.1936 GPRESSAVG: 688200 -34.576 -33.9847 19.0413 -34.9817 70.8294 -20.2411 15.6093 -20.0199 -32.9789 TIMING: 688200 CPU: 1999.47, 0.00288123/step Wall: 1999.47, 0.00288123/step, 3.45092 hours remaining, 205.031250 MB of memory in use. ENERGY: 688200 723.8979 2112.2010 1991.3267 125.3399 -206572.8045 17925.3482 0.0000 0.0000 34048.6028 -149646.0879 297.3549 -183694.6908 -149549.0031 298.3057 145.7220 178.1619 555626.4718 0.9207 1.0915 LDB: ============= START OF LOAD BALANCING ============== 2002.94 LDB: ============== END OF LOAD BALANCING =============== 2002.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2002.94 LDB: ============= START OF LOAD BALANCING ============== 2003.23 LDB: Largest compute 4820 load 0.028984 is 24.7% of average load 0.117501 LDB: Average compute 0.001745 is 1.5% of average load 0.117501 LDB: TIME 2003.23 LOAD: AVG 0.117501 MAX 0.179248 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.988 MB LDB: TIME 2003.23 LOAD: AVG 0.117501 MAX 0.179248 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.988 MB LDB: TIME 2003.23 LOAD: AVG 0.117501 MAX 0.179248 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2003.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2003.24 PRESSURE: 688400 163.433 -81.3208 141.099 -81.3207 -2.48585 -54.5729 141.098 -54.5739 -95.1542 GPRESSURE: 688400 177.728 -44.7124 197.338 -38.5916 44.6682 -113.065 120.763 3.11716 -56.8714 PRESSAVG: 688400 13.8214 11.8633 -6.44631 11.8633 34.0716 -2.68658 -6.44631 -2.68663 -35.2177 GPRESSAVG: 688400 13.4439 13.5375 -7.32452 13.2399 34.6122 -2.33792 -5.40746 -2.99547 -35.0093 TIMING: 688400 CPU: 2000.06, 0.00294615/step Wall: 2000.06, 0.00294615/step, 3.5285 hours remaining, 205.144531 MB of memory in use. ENERGY: 688400 757.8732 2110.7163 2024.1782 115.2972 -206619.5287 17951.6884 0.0000 0.0000 34065.6168 -149594.1587 297.5035 -183659.7755 -149499.4524 298.2104 21.9311 55.1751 556480.7017 4.2251 4.3489 PRESSURE: 688600 79.3108 -20.0345 -156.763 -20.034 -107.587 -35.8632 -156.762 -35.864 54.4932 GPRESSURE: 688600 138.388 -16.2341 -192.424 3.31245 -91.6529 -94.586 -134.345 -63.7061 61.2701 PRESSAVG: 688600 -16.6965 -7.63662 62.7719 -7.63663 -32.3521 -32.7963 62.7719 -32.7964 2.57338 GPRESSAVG: 688600 -17.8869 -8.55378 65.1115 -7.02155 -31.6668 -32.5265 58.853 -30.9385 3.19935 TIMING: 688600 CPU: 2000.64, 0.00290287/step Wall: 2000.64, 0.00290287/step, 3.4765 hours remaining, 205.214844 MB of memory in use. ENERGY: 688600 755.8823 2045.3675 2008.7557 122.3411 -206280.5533 17931.4682 0.0000 0.0000 33996.7543 -149419.9843 296.9021 -183416.7386 -149316.0911 298.0167 8.7390 36.0019 558179.7134 -15.4917 -15.4515 PRESSURE: 688800 258.977 -66.4628 -23.0541 -66.4622 -6.82274 -63.8651 -23.0547 -63.8647 102.39 GPRESSURE: 688800 260.928 -41.1699 6.33417 -68.1609 110.952 -52.0498 -23.3811 -51.1894 67.5728 PRESSAVG: 688800 70.9128 5.03546 -76.7262 5.03552 -33.2948 -3.51106 -76.7263 -3.51105 -27.7651 GPRESSAVG: 688800 71.863 6.70263 -77.9204 3.9172 -34.5862 -2.84964 -72.9145 -4.40039 -27.1456 TIMING: 688800 CPU: 2001.22, 0.00290839/step Wall: 2001.22, 0.00290839/step, 3.48296 hours remaining, 205.414062 MB of memory in use. ENERGY: 688800 745.9053 2067.9370 1983.6271 119.4967 -206556.4453 17982.0261 0.0000 0.0000 34326.8386 -149330.6145 299.7848 -183657.4530 -149230.0097 298.7069 118.1815 146.4842 558759.8909 3.2843 3.3771 PRESSURE: 689000 -213.842 33.0105 -3.98048 33.0101 132.349 53.8885 -3.98163 53.8894 -108.536 GPRESSURE: 689000 -171.59 -33.5613 31.1539 22.4737 157.119 20.4812 -6.88829 67.5189 -78.2072 PRESSAVG: 689000 14.6784 -1.25167 30.4214 -1.25174 -44.5501 -32.7809 30.4213 -32.781 17.5425 GPRESSAVG: 689000 13.8837 -1.54781 30.0271 -1.35366 -43.4938 -34.6721 29.2343 -32.2325 17.4896 TIMING: 689000 CPU: 2001.8, 0.00290608/step Wall: 2001.8, 0.00290608/step, 3.48003 hours remaining, 205.414062 MB of memory in use. ENERGY: 689000 758.3616 2095.7189 2013.6278 115.5938 -206039.2472 17629.9386 0.0000 0.0000 34332.1834 -149093.8230 299.8315 -183426.0064 -148994.8623 299.7395 -63.3430 -30.8926 557832.2152 -4.1097 -4.0402 PRESSURE: 689200 -22.6366 -38.6558 243.495 -38.656 110.173 -148.448 243.496 -148.446 210.142 GPRESSURE: 689200 -23.8684 14.5701 225.386 -19.0672 174.408 -150.419 281.072 -164.063 238.004 PRESSAVG: 689200 -1.01589 34.0014 32.2871 34.0014 31.3564 -12.0368 32.2872 -12.037 -14.5632 GPRESSAVG: 689200 -0.318366 33.7353 31.6906 34.9839 30.503 -9.15844 32.5993 -12.7849 -15.2596 TIMING: 689200 CPU: 2002.38, 0.00289729/step Wall: 2002.38, 0.00289729/step, 3.46935 hours remaining, 205.414062 MB of memory in use. ENERGY: 689200 755.3896 2059.0734 1952.2070 114.9284 -205921.3703 17905.5062 0.0000 0.0000 34242.3250 -148891.9407 299.0467 -183134.2657 -148795.8233 299.4739 99.2260 129.5148 556768.9847 5.2591 4.9750 PRESSURE: 689400 -187.561 14.0579 14.0764 14.0577 99.6292 -70.836 14.0774 -70.8359 -39.8584 GPRESSURE: 689400 -129.349 75.2577 -52.7786 24.0982 147.909 -113.699 24.7204 12.2473 -43.1936 PRESSAVG: 689400 -26.1229 -0.0605739 29.6856 -0.0605154 21.5918 -20.8073 29.6857 -20.8071 0.955825 GPRESSAVG: 689400 -25.7821 -2.46539 32.2416 -1.34651 22.3465 -23.0471 28.1298 -19.5051 -0.345482 TIMING: 689400 CPU: 2002.96, 0.00288598/step Wall: 2002.96, 0.00288598/step, 3.45564 hours remaining, 205.414062 MB of memory in use. ENERGY: 689400 721.8842 2111.2432 1985.8426 115.6719 -205819.9264 17802.9631 0.0000 0.0000 34316.7536 -148765.5677 299.6967 -183082.3214 -148676.1856 300.0588 -42.5966 -8.2113 559072.7338 -1.1918 -1.2604 PRESSURE: 689600 -231.616 -11.9598 107.974 -11.9593 -380.518 13.5212 107.974 13.5205 -199.672 GPRESSURE: 689600 -169.463 37.0007 95.8549 -63.3111 -357.518 -4.57633 106.727 28.4647 -182.407 PRESSAVG: 689600 -32.8863 -14.4007 -9.19803 -14.4008 40.5574 -33.2418 -9.19809 -33.2419 -15.2403 GPRESSAVG: 689600 -33.5234 -10.329 -10.4039 -14.434 40.295 -32.4942 -8.02285 -33.7946 -13.8692 TIMING: 689600 CPU: 2003.54, 0.00289525/step Wall: 2003.54, 0.00289525/step, 3.46658 hours remaining, 205.414062 MB of memory in use. ENERGY: 689600 745.5608 2090.7863 1966.4260 120.9320 -205423.3185 17363.7985 0.0000 0.0000 34346.6876 -148789.1274 299.9582 -183135.8150 -148688.9377 300.2492 -270.6022 -236.4631 558009.4869 -2.5231 -2.3659 PRESSURE: 689800 88.5341 97.9397 9.80197 97.9382 27.4866 -22.5543 9.80318 -22.5553 -165.335 GPRESSURE: 689800 115.902 16.4512 1.1043 169.121 77.7823 11.5328 32.5286 34.2289 -151.72 PRESSAVG: 689800 -6.26715 -24.4164 55.2362 -24.4163 -33.3775 -16.2656 55.2362 -16.2656 -19.758 GPRESSAVG: 689800 -5.95844 -27.0901 55.7856 -24.9665 -32.624 -16.8403 54.8121 -17.2012 -20.4224 TIMING: 689800 CPU: 2004.12, 0.0029108/step Wall: 2004.12, 0.00291079/step, 3.48503 hours remaining, 205.414062 MB of memory in use. ENERGY: 689800 779.3303 2111.5078 1989.2186 108.0394 -206085.0850 17853.0152 0.0000 0.0000 34397.3152 -148846.6584 300.4003 -183243.9736 -148754.6021 300.1450 -16.4382 13.9883 556467.3606 -19.8009 -19.6683 PRESSURE: 690000 -179.239 -8.2706 53.4869 -8.27068 -110.784 81.9581 53.4876 81.9595 -28.4185 GPRESSURE: 690000 -178.773 8.65471 92.2648 40.9401 -58.584 6.86831 15.421 24.8155 5.56702 PRESSAVG: 690000 -30.4383 -34.5517 -9.99308 -34.5516 18.6871 17.4268 -9.99307 17.4268 16.8802 GPRESSAVG: 690000 -29.177 -34.7105 -8.67863 -32.8414 17.1129 18.2425 -11.24 18.5199 17.2545 TIMING: 690000 CPU: 2004.7, 0.0029094/step Wall: 2004.7, 0.0029094/step, 3.4832 hours remaining, 205.414062 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: 690000 720.4424 2078.9736 1974.3596 118.8732 -205347.3206 17364.7120 0.0000 0.0000 34101.1512 -148988.8085 297.8138 -183089.9597 -148889.6568 298.8151 -106.1470 -77.2634 557214.7997 1.7097 1.7301 PRESSURE: 690200 -417.367 -14.7609 -39.7143 -14.7608 -136.467 38.3613 -39.7145 38.3625 -149.225 GPRESSURE: 690200 -380.215 -20.4812 -37.4853 5.8941 -132.308 -43.9348 3.467 140.515 -94.8309 PRESSAVG: 690200 -25.3334 -12.3132 -23.4285 -12.3132 31.4834 -31.1827 -23.4284 -31.1828 -1.61039 GPRESSAVG: 690200 -26.3097 -9.06214 -24.8566 -16.1045 32.0836 -32.1782 -22.2794 -31.2969 -1.13051 TIMING: 690200 CPU: 2005.28, 0.00290249/step Wall: 2005.28, 0.00290249/step, 3.47477 hours remaining, 205.414062 MB of memory in use. ENERGY: 690200 747.3495 2090.7163 1958.2900 108.7771 -205993.3712 17641.6797 0.0000 0.0000 34303.2424 -149143.3163 299.5787 -183446.5586 -149043.5283 299.7627 -234.3531 -202.4512 558710.3467 1.5132 1.5478 PRESSURE: 690400 35.8789 -107.019 81.5076 -107.023 -6.11604 -184.123 81.5067 -184.123 90.8468 GPRESSURE: 690400 51.3494 -216.55 -5.0868 -49.1346 27.8977 -191.724 153.682 -101.163 119.71 PRESSAVG: 690400 -81.399 3.8502 13.2362 3.85008 -14.2753 -28.2941 13.2362 -28.2941 62.5998 GPRESSAVG: 690400 -81.1575 1.11674 12.0992 5.84487 -14.4624 -27.7083 14.5862 -29.0966 61.9571 TIMING: 690400 CPU: 2005.87, 0.00290686/step Wall: 2005.87, 0.00290686/step, 3.47984 hours remaining, 205.414062 MB of memory in use. ENERGY: 690400 751.7619 2089.2487 1955.6876 100.3511 -206500.5442 17953.4890 0.0000 0.0000 34369.1636 -149280.8423 300.1545 -183650.0059 -149183.7846 299.5784 40.2032 66.3190 556618.3275 -11.0248 -11.2210 PRESSURE: 690600 -277.05 14.2926 78.1687 14.2934 -188.254 27.7087 78.1687 27.7082 -31.254 GPRESSURE: 690600 -230.295 58.0722 132.061 21.6518 -158.686 -53.602 23.5756 87.8563 -15.0821 PRESSAVG: 690600 -93.4774 -17.0275 31.6396 -17.0275 38.4919 -29.0319 31.6396 -29.0319 62.6231 GPRESSAVG: 690600 -94.4084 -17.0243 33.6931 -17.0358 38.3911 -29.2364 30.951 -28.8044 63.7636 TIMING: 690600 CPU: 2006.45, 0.00290876/step Wall: 2006.45, 0.00290876/step, 3.48195 hours remaining, 205.414062 MB of memory in use. ENERGY: 690600 773.6212 2101.0501 1945.7994 108.4362 -206211.4613 17552.5192 0.0000 0.0000 34285.4050 -149444.6303 299.4230 -183730.0353 -149350.4937 298.6749 -165.5193 -134.6875 557556.8931 2.5459 2.5821 PRESSURE: 690800 144.927 188.965 -9.49597 188.966 150.745 71.8982 -9.49649 71.898 -94.3229 GPRESSURE: 690800 160.739 177.216 35.6138 73.5341 192.969 147.512 26.8699 118.34 -66.1408 PRESSAVG: 690800 -89.6043 2.74214 -12.1648 2.74216 49.7789 22.6041 -12.1648 22.6041 59.2294 GPRESSAVG: 690800 -88.9932 4.72508 -11.3782 0.830233 50.3342 24.49 -12.4356 21.4055 58.1838 TIMING: 690800 CPU: 2007.03, 0.00290402/step Wall: 2007.03, 0.00290402/step, 3.47612 hours remaining, 205.414062 MB of memory in use. ENERGY: 690800 748.0438 2131.7218 1970.4070 116.2306 -206757.8403 18082.5472 0.0000 0.0000 34220.7987 -149488.0911 298.8587 -183708.8899 -149388.3207 298.2947 67.1164 95.8558 557348.7302 6.4680 6.5083 PRESSURE: 691000 46.5572 -71.9518 -46.719 -71.9525 233.879 4.67992 -46.719 4.68174 -178.652 GPRESSURE: 691000 58.416 -200.609 -7.73487 -102.1 293.78 -51.0208 -71.7295 25.8837 -158.95 PRESSAVG: 691000 -13.4142 -42.5023 -33.2913 -42.5024 24.0887 47.7851 -33.2913 47.7851 -21.3622 GPRESSAVG: 691000 -14.3756 -44.9081 -32.673 -40.7084 24.4624 45.5896 -33.9692 48.3162 -21.0443 TIMING: 691000 CPU: 2007.61, 0.00291374/step Wall: 2007.61, 0.00291374/step, 3.48758 hours remaining, 205.414062 MB of memory in use. ENERGY: 691000 719.5477 2067.8706 1982.1490 108.6368 -206632.8748 18021.6301 0.0000 0.0000 34193.5891 -149539.4515 298.6211 -183733.0406 -149443.6103 297.8215 33.9279 64.4155 556660.7477 -3.5626 -3.6525 PRESSURE: 691200 -40.2643 46.3717 -1.90788 46.3703 -287.922 -17.8826 -1.90739 -17.8851 62.3069 GPRESSURE: 691200 -51.9054 158.742 -36.9767 23.8879 -245.391 -4.75535 53.7945 -87.6124 123.462 PRESSAVG: 691200 -2.15555 -79.4673 12.026 -79.4673 0.446967 50.0463 12.026 50.0461 33.9606 GPRESSAVG: 691200 -0.302381 -79.7054 9.25239 -78.546 -0.603751 51.7881 12.8958 49.4457 33.4273 TIMING: 691200 CPU: 2008.19, 0.00288742/step Wall: 2008.19, 0.00288742/step, 3.45592 hours remaining, 205.414062 MB of memory in use. ENERGY: 691200 731.2057 2024.0670 1990.5702 108.3455 -206211.8445 17768.9219 0.0000 0.0000 33866.8348 -149721.8994 295.7675 -183588.7342 -149618.7594 297.5908 -88.6266 -57.9445 557135.9740 10.7507 10.8404 PRESSURE: 691400 12.8411 41.8169 11.0412 41.8185 -155.619 28.3903 11.041 28.3895 95.5261 GPRESSURE: 691400 47.5046 -23.5349 119.673 91.1226 -104.737 72.5708 -43.1209 -35.8773 107.276 PRESSAVG: 691400 -55.5082 -0.878207 -11.6658 -0.878268 32.4581 -26.4279 -11.6657 -26.4278 20.6205 GPRESSAVG: 691400 -56.7406 -1.7659 -11.6611 -1.74342 32.7601 -26.1255 -11.8613 -26.2483 22.1787 TIMING: 691400 CPU: 2008.77, 0.00290401/step Wall: 2008.77, 0.00290401/step, 3.47561 hours remaining, 205.414062 MB of memory in use. ENERGY: 691400 713.8552 2091.7273 1968.0839 109.3723 -206602.2465 17867.3702 0.0000 0.0000 34254.0552 -149597.7824 299.1492 -183851.8376 -149490.6306 297.4736 -15.7507 16.6813 558521.7928 -0.8099 -0.6006 PRESSURE: 691600 126.082 -100.374 8.95445 -100.374 -71.7681 -68.9337 8.95441 -68.933 -0.787008 GPRESSURE: 691600 169.003 -18.0404 -5.37768 -106.016 -36.232 -162.219 15.6388 -38.545 12.1618 PRESSAVG: 691600 10.8638 32.3326 -6.64185 32.3326 2.79486 -39.8362 -6.64185 -39.8362 15.0331 GPRESSAVG: 691600 11.5767 32.6769 -7.161 32.6547 3.88303 -40.5363 -5.37163 -39.6446 13.8064 TIMING: 691600 CPU: 2009.35, 0.00289137/step Wall: 2009.35, 0.00289137/step, 3.46033 hours remaining, 205.414062 MB of memory in use. ENERGY: 691600 749.7478 2078.9004 1987.6770 101.6089 -206476.8691 17975.1594 0.0000 0.0000 34029.6930 -149554.0825 297.1898 -183583.7755 -149459.9688 297.6634 17.8423 48.3111 557912.9918 9.5639 9.7554 PRESSURE: 691800 -151.838 80.3903 77.9923 80.3902 79.0447 26.2138 77.9931 26.2149 -294.835 GPRESSURE: 691800 -125.194 81.6439 82.573 108.635 99.318 -39.0715 133.032 101.449 -251.439 PRESSAVG: 691800 -49.391 -8.33421 -43.6867 -8.33423 71.5661 -2.26856 -43.6866 -2.26868 -16.3499 GPRESSAVG: 691800 -49.6245 -6.02614 -41.8834 -10.4857 71.1218 -2.53657 -43.5267 -1.96738 -16.1699 TIMING: 691800 CPU: 2009.93, 0.00291711/step Wall: 2009.93, 0.00291711/step, 3.49097 hours remaining, 205.414062 MB of memory in use. ENERGY: 691800 715.8508 2068.9283 2013.3312 110.2087 -206286.7826 17736.5576 0.0000 0.0000 34018.5341 -149623.3720 297.0923 -183641.9061 -149531.9379 298.1669 -122.5428 -92.4383 559433.6968 1.9417 1.7758 PRESSURE: 692000 -96.5 -103.557 -54.1643 -103.556 -316.2 22.2938 -54.166 22.2946 -27.9338 GPRESSURE: 692000 -76.984 -107.991 -69.9657 -69.4822 -282.433 28.9836 31.2423 -38.8845 14.3917 PRESSAVG: 692000 -5.26676 6.91393 -8.99076 6.91387 -39.838 -6.2514 -8.99077 -6.25137 22.2218 GPRESSAVG: 692000 -5.70827 5.34993 -10.8803 7.03346 -39.5797 -6.00402 -9.54691 -6.93376 22.805 TIMING: 692000 CPU: 2010.51, 0.00289353/step Wall: 2010.51, 0.00289353/step, 3.46259 hours remaining, 205.414062 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: 692000 740.8110 2065.3667 1970.8492 105.8855 -206397.1879 17829.2789 0.0000 0.0000 34057.5228 -149627.4739 297.4328 -183684.9967 -149522.1790 297.5534 -146.8780 -115.0083 558704.6695 -7.6277 -7.4943 PRESSURE: 692200 -99.9457 -219.619 -39.5154 -219.619 -263.074 -45.7271 -39.5155 -45.7287 -140.862 GPRESSURE: 692200 -130.928 -205.24 58.2858 -297.248 -266.244 -89.7795 -157.902 -69.261 -11.7401 PRESSAVG: 692200 -44.195 -33.9589 -20.5081 -33.959 -37.0422 -23.5142 -20.5081 -23.5142 88.6421 GPRESSAVG: 692200 -43.8815 -32.04 -18.7645 -33.3572 -38.0807 -22.6623 -21.161 -25.6325 88.8871 TIMING: 692200 CPU: 2011.09, 0.00288353/step Wall: 2011.09, 0.00288353/step, 3.45046 hours remaining, 205.414062 MB of memory in use. ENERGY: 692200 742.8686 2114.8003 2009.7850 106.4940 -206418.1370 17721.4326 0.0000 0.0000 34014.7371 -149708.0194 297.0592 -183722.7565 -149610.0705 297.6993 -167.9607 -136.3042 558948.7306 2.4683 2.3083 LDB: ============= START OF LOAD BALANCING ============== 2014.55 LDB: ============== END OF LOAD BALANCING =============== 2014.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2014.55 LDB: ============= START OF LOAD BALANCING ============== 2014.84 LDB: Largest compute 4820 load 0.029304 is 24.9% of average load 0.117575 LDB: Average compute 0.001744 is 1.5% of average load 0.117575 LDB: TIME 2014.84 LOAD: AVG 0.117575 MAX 0.176705 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.309 MB LDB: TIME 2014.84 LOAD: AVG 0.117575 MAX 0.176705 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.516 MB LDB: TIME 2014.84 LOAD: AVG 0.117575 MAX 0.176705 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2014.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2014.85 PRESSURE: 692400 -26.3616 63.2903 -94.8929 63.2902 -54.0948 -81.7104 -94.8946 -81.7101 -23.0322 GPRESSURE: 692400 61.004 210.549 -115.535 -69.2983 -38.1444 -64.8071 -102.017 -58.3406 -15.6052 PRESSAVG: 692400 3.75272 5.34122 30.8673 5.34119 -31.6058 -43.2941 30.8673 -43.2941 67.6837 GPRESSAVG: 692400 3.65102 5.55854 29.8368 5.39409 -30.9304 -43.5004 32.7515 -42.4864 67.0602 TIMING: 692400 CPU: 2011.67, 0.00293206/step Wall: 2011.67, 0.00293206/step, 3.50837 hours remaining, 203.128906 MB of memory in use. ENERGY: 692400 712.7481 2122.4525 1986.6549 129.1372 -206625.1773 17843.1735 0.0000 0.0000 34307.1626 -149523.8484 299.6130 -183831.0110 -149423.5292 298.4264 -34.4962 2.4181 557067.4120 13.2769 13.2603 PRESSURE: 692600 -182.55 71.4426 -80.3469 71.4427 174.859 -38.9701 -80.3476 -38.9712 -121.997 GPRESSURE: 692600 -122.074 104.678 -59.0812 -24.9032 152.403 -34.7206 -46.6746 -93.446 -53.3419 PRESSAVG: 692600 13.6261 18.1019 42.9514 18.1019 -50.118 0.0408144 42.9514 0.0406675 42.7575 GPRESSAVG: 692600 13.6419 18.2434 43.5761 16.5717 -50.6529 -1.64491 41.7795 1.83323 43.5792 TIMING: 692600 CPU: 2012.25, 0.00289769/step Wall: 2012.25, 0.00289769/step, 3.46708 hours remaining, 203.371094 MB of memory in use. ENERGY: 692600 726.8950 2065.7367 1977.5590 108.1549 -206106.1201 17678.7225 0.0000 0.0000 33934.7288 -149614.3232 296.3604 -183549.0520 -149525.7718 298.3877 -43.2294 -7.6711 558003.2613 2.0885 2.1894 PRESSURE: 692800 46.3534 -69.5035 217.935 -69.5035 29.1011 -59.1619 217.935 -59.1615 76.7346 GPRESSURE: 692800 63.6163 -59.5804 246.448 -113.014 86.8705 25.5189 138.055 -27.2854 100.131 PRESSAVG: 692800 3.42849 31.5745 13.8547 31.5745 3.0999 -6.50449 13.8548 -6.50446 -6.33232 GPRESSAVG: 692800 3.51308 30.5688 10.7744 31.3652 3.45953 -5.43571 15.8057 -5.84106 -6.15242 TIMING: 692800 CPU: 2012.83, 0.00288794/step Wall: 2012.83, 0.00288794/step, 3.45526 hours remaining, 203.437500 MB of memory in use. ENERGY: 692800 728.6515 2088.4294 1972.5544 114.5593 -206933.8444 18148.9660 0.0000 0.0000 34258.7056 -149621.9782 299.1898 -183880.6837 -149530.9819 297.5210 50.7297 83.5394 557816.6736 0.0654 0.2734 PRESSURE: 693000 61.1288 -35.8543 -191.428 -35.8551 -2.09681 127.671 -191.428 127.672 -95.9736 GPRESSURE: 693000 85.0177 -46.7754 -174.604 -5.39464 13.5628 79.3803 -119.31 96.4628 -26.3756 PRESSAVG: 693000 -9.3362 -14.1338 -0.816982 -14.1338 73.9897 13.7145 -0.816964 13.7146 -49.7171 GPRESSAVG: 693000 -9.17323 -15.4772 0.497224 -12.0892 73.8268 13.5408 -1.96563 11.7243 -50.0969 TIMING: 693000 CPU: 2013.4, 0.00287262/step Wall: 2013.4, 0.00287262/step, 3.43677 hours remaining, 203.437500 MB of memory in use. ENERGY: 693000 751.7255 2107.3596 1974.8997 114.5451 -206614.7010 18102.3333 0.0000 0.0000 33957.5735 -149606.2643 296.5599 -183563.8379 -149512.4589 297.8177 -12.3139 24.0683 558033.7669 4.9788 4.8522 PRESSURE: 693200 -62.9431 -83.4294 12.3924 -83.4301 -90.3188 -145.31 12.3928 -145.309 176.503 GPRESSURE: 693200 -32.6285 -100.052 -20.2214 32.9284 -22.6388 -173.993 19.3491 -131.762 171.773 PRESSAVG: 693200 16.5306 27.6444 -13.1763 27.6444 -1.76576 11.9681 -13.1763 11.968 8.50951 GPRESSAVG: 693200 16.0048 29.325 -12.1667 26.4908 -1.43577 10.5895 -12.3493 13.0407 9.00373 TIMING: 693200 CPU: 2013.98, 0.00288554/step Wall: 2013.98, 0.00288554/step, 3.45206 hours remaining, 203.437500 MB of memory in use. ENERGY: 693200 789.0784 2069.1323 1993.5203 112.0719 -206799.0506 18024.0737 0.0000 0.0000 34281.6783 -149529.4958 299.3904 -183811.1741 -149426.6164 298.1526 7.7470 38.8354 557602.3265 7.7581 7.8576 PRESSURE: 693400 323.798 180.257 -13.5426 180.257 18.3049 -7.20213 -13.5406 -7.20067 -78.4371 GPRESSURE: 693400 351.661 216.567 -13.8111 186.77 29.6457 -41.1972 33.1194 16.3504 -28.0654 PRESSAVG: 693400 8.57048 -10.0386 -61.0991 -10.0386 54.5057 -12.4275 -61.0992 -12.4276 -32.4729 GPRESSAVG: 693400 9.61298 -11.1407 -62.6756 -8.67034 53.1964 -13.4173 -61.7463 -10.7412 -32.2076 TIMING: 693400 CPU: 2014.56, 0.00291147/step Wall: 2014.56, 0.00291147/step, 3.48293 hours remaining, 203.437500 MB of memory in use. ENERGY: 693400 737.5119 2120.6579 1991.4243 107.6626 -206884.9007 18067.4748 0.0000 0.0000 34144.6031 -149715.5660 298.1933 -183860.1691 -149618.2903 297.8224 87.8886 117.7470 557455.3056 10.2011 10.2006 PRESSURE: 693600 -292.536 -37.9983 -71.883 -37.9976 -266.378 -16.6602 -71.8839 -16.6582 -424.505 GPRESSURE: 693600 -249.316 -25.4539 -84.705 -41.2902 -226.49 -79.2169 -9.46026 25.5011 -400.143 PRESSAVG: 693600 -35.977 -1.15154 -22.0742 -1.15156 0.790048 21.3506 -22.0742 21.3505 8.72346 GPRESSAVG: 693600 -35.7604 -0.143498 -19.6049 -3.28602 1.22376 20.9951 -22.983 20.5929 7.95069 TIMING: 693600 CPU: 2015.14, 0.00290103/step Wall: 2015.14, 0.00290103/step, 3.47028 hours remaining, 203.437500 MB of memory in use. ENERGY: 693600 761.9839 2095.1642 1995.9127 127.1297 -206329.3852 17544.6795 0.0000 0.0000 33890.6648 -149913.8503 295.9756 -183804.5151 -149821.5006 297.6209 -327.8066 -291.9831 557563.7632 -8.8212 -8.8620 PRESSURE: 693800 -164.21 -12.2825 63.3609 -12.2825 -140.203 -126.341 63.3619 -126.344 -6.73629 GPRESSURE: 693800 -80.4014 -10.2286 -2.23677 -16.1594 -134.027 -164.276 51.1909 -71.1841 -3.4988 PRESSAVG: 693800 -62.1996 -13.7653 -12.0536 -13.7653 43.5716 -21.3432 -12.0536 -21.3433 17.1508 GPRESSAVG: 693800 -63.7499 -14.6659 -12.7492 -12.4778 45.0448 -19.7728 -12.6731 -22.7472 17.2864 TIMING: 693800 CPU: 2015.72, 0.00289233/step Wall: 2015.72, 0.00289233/step, 3.45971 hours remaining, 203.437500 MB of memory in use. ENERGY: 693800 728.3584 2101.8482 1990.1446 122.9432 -206611.0381 17758.2828 0.0000 0.0000 33991.1461 -149918.3149 296.8531 -183909.4610 -149820.8860 296.7374 -103.7167 -72.6425 555939.6626 -0.4924 -0.4729 PRESSURE: 694000 123.038 57.6387 -152.27 57.6379 180.675 -163.504 -152.27 -163.503 215.738 GPRESSURE: 694000 178.887 108.911 -114.839 67.6486 196.093 -129.311 -179.667 -129.866 242.056 PRESSAVG: 694000 2.38561 -57.0153 5.78635 -57.0154 -14.3539 -8.78921 5.78642 -8.78915 -38.9215 GPRESSAVG: 694000 2.24885 -58.229 6.40204 -54.7129 -13.4734 -9.7576 5.76541 -7.22447 -39.0672 TIMING: 694000 CPU: 2016.3, 0.00291161/step Wall: 2016.3, 0.00291161/step, 3.48261 hours remaining, 203.437500 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: 694000 735.3944 2116.1833 1974.0479 139.3375 -206985.1387 18075.0502 0.0000 0.0000 34196.8373 -149748.2881 298.6495 -183945.1254 -149649.8600 296.7873 173.1504 205.6786 555306.1534 -16.9632 -16.7639 PRESSURE: 694200 -174.188 -75.9224 -103.155 -75.9216 -87.4775 -15.5503 -103.155 -15.5504 -242.131 GPRESSURE: 694200 -168.188 -52.1408 -9.74879 -15.6148 -53.6295 116.295 -167.941 -138.715 -187.103 PRESSAVG: 694200 -46.6627 -18.236 -30.5153 -18.2361 15.4529 -12.9884 -30.5152 -12.9885 46.1083 GPRESSAVG: 694200 -46.8513 -16.0589 -32.8189 -22.5342 14.7272 -9.97293 -29.3544 -16.0052 47.2828 TIMING: 694200 CPU: 2016.89, 0.0029031/step Wall: 2016.89, 0.0029031/step, 3.47227 hours remaining, 203.437500 MB of memory in use. ENERGY: 694200 757.9886 2089.2496 1971.2644 116.2534 -206471.8270 17600.8972 0.0000 0.0000 34108.2483 -149827.9255 297.8758 -183936.1738 -149724.8743 297.1146 -167.9320 -136.3067 557583.2385 4.9661 5.0529 PRESSURE: 694400 -39.4197 -12.4949 9.59386 -12.4964 23.4371 136.63 9.59322 136.63 -164.599 GPRESSURE: 694400 -17.8728 -25.5584 -16.2674 -26.1547 67.2084 85.9767 -86.3109 125.528 -126.955 PRESSAVG: 694400 -84.2131 8.70671 -72.0334 8.70664 53.2834 36.9259 -72.0334 36.9258 41.0776 GPRESSAVG: 694400 -82.6073 7.93604 -70.6057 10.3308 52.6956 35.1671 -73.3637 38.8905 40.3163 TIMING: 694400 CPU: 2017.46, 0.00289362/step Wall: 2017.46, 0.00289362/step, 3.46077 hours remaining, 203.496094 MB of memory in use. ENERGY: 694400 719.2430 2049.0907 1939.6306 114.8766 -206261.8986 17644.6438 0.0000 0.0000 33860.7408 -149933.6732 295.7143 -183794.4139 -149838.0055 296.8040 -60.1940 -25.8730 557265.0063 3.3827 3.4682 PRESSURE: 694600 -184.208 27.1061 11.3472 27.1057 122.982 24.1288 11.3467 24.1294 38.4967 GPRESSURE: 694600 -127.543 21.7893 -8.15884 -46.4169 157.092 54.62 -16.5444 46.1368 38.0464 PRESSAVG: 694600 -85.6089 -32.4175 -40.4277 -32.4174 82.5983 -4.22461 -40.4277 -4.22454 18.8535 GPRESSAVG: 694600 -86.1756 -34.8588 -41.5997 -31.3383 82.6865 -4.96955 -39.416 -4.8103 18.9566 TIMING: 694600 CPU: 2018.04, 0.00290139/step Wall: 2018.04, 0.00290139/step, 3.4699 hours remaining, 203.496094 MB of memory in use. ENERGY: 694600 760.6053 2079.2744 1965.3333 106.5630 -206574.2496 17798.1631 0.0000 0.0000 34133.1171 -149731.1934 298.0930 -183864.3105 -149629.9674 296.8259 -7.5765 22.5319 556022.6407 5.2810 5.1559 PRESSURE: 694800 -5.90529 -24.8971 -14.9894 -24.896 61.8778 -36.8005 -14.99 -36.8003 281.842 GPRESSURE: 694800 15.4705 31.6084 -19.445 -56.1476 100.719 -60.7183 -24.0919 -48.0989 312.553 PRESSAVG: 694800 -31.9096 2.11893 10.4926 2.11896 35.587 37.3903 10.4926 37.3904 -36.409 GPRESSAVG: 694800 -32.1218 5.68012 10.7965 -0.358626 35.0042 38.6841 10.1261 38.5163 -35.6331 TIMING: 694800 CPU: 2018.62, 0.00288977/step Wall: 2018.62, 0.00288977/step, 3.45585 hours remaining, 203.496094 MB of memory in use. ENERGY: 694800 738.1200 2125.8196 1964.9551 130.8024 -206760.7049 17921.2861 0.0000 0.0000 34161.2337 -149718.4880 298.3386 -183879.7217 -149628.0910 297.3835 112.6049 142.9140 555924.7433 -10.9105 -10.9169 PRESSURE: 695000 -206.093 3.60127 -114.453 3.60143 -79.4866 -97.9872 -114.451 -97.9871 48.5269 GPRESSURE: 695000 -115.03 76.1338 -43.1502 -13.9142 -98.2757 -139.852 -170.453 8.50049 69.8075 PRESSAVG: 695000 -80.5274 -15.9556 -13.6696 -15.9556 90.5645 33.5708 -13.6697 33.5709 -32.3907 GPRESSAVG: 695000 -79.7159 -15.1874 -12.5819 -15.1942 89.8961 31.5369 -13.0102 33.7636 -32.7401 TIMING: 695000 CPU: 2019.2, 0.00291166/step Wall: 2019.2, 0.00291166/step, 3.48185 hours remaining, 203.496094 MB of memory in use. ENERGY: 695000 753.9237 2144.3683 1966.1569 119.5060 -206791.4323 17864.0002 0.0000 0.0000 34321.7618 -149621.7155 299.7405 -183943.4772 -149530.4181 297.9782 -79.0174 -47.8328 555872.7466 -7.4512 -7.5200 PRESSURE: 695200 74.7981 -89.391 -119.021 -89.3913 -117.59 37.0968 -119.02 37.0951 207.676 GPRESSURE: 695200 55.4172 -99.9 -16.4291 -37.7216 -23.8914 54.1226 -121.256 -22.6539 241.181 PRESSAVG: 695200 22.1245 -10.7419 33.7257 -10.7419 -7.0656 7.8759 33.7257 7.87591 9.92193 GPRESSAVG: 695200 22.5148 -13.555 33.1182 -9.01806 -6.86792 7.41469 33.5134 8.37405 9.30462 TIMING: 695200 CPU: 2019.78, 0.00289371/step Wall: 2019.78, 0.00289371/step, 3.46023 hours remaining, 203.496094 MB of memory in use. ENERGY: 695200 744.3295 2084.9598 2003.1363 112.4091 -206486.7049 17838.4156 0.0000 0.0000 34132.1819 -149571.2728 298.0848 -183703.4547 -149469.6183 298.4614 54.9613 90.9024 555729.7380 8.3269 8.3172 PRESSURE: 695400 143.353 -73.3328 59.7706 -73.3327 -38.3367 -16.3352 59.7708 -16.3337 12.0947 GPRESSURE: 695400 190.411 -152.086 43.2488 46.2186 -27.7116 -54.5192 94.6492 -16.4366 59.2019 PRESSAVG: 695400 -29.5834 26.8926 27.1105 26.8925 -18.6559 39.9713 27.1104 39.9711 34.3314 GPRESSAVG: 695400 -29.7924 27.2993 27.0234 26.5975 -18.2619 41.5087 27.1324 38.5611 33.8095 TIMING: 695400 CPU: 2020.36, 0.00288439/step Wall: 2020.36, 0.00288439/step, 3.44893 hours remaining, 203.496094 MB of memory in use. ENERGY: 695400 723.2195 2120.7564 1984.3998 112.0305 -206263.0969 18014.9217 0.0000 0.0000 34054.0464 -149253.7225 297.4025 -183307.7690 -149161.8225 298.6460 39.0371 73.9671 557808.7939 -4.6359 -4.7482 PRESSURE: 695600 -168.081 -54.9158 5.11603 -54.9157 162.971 -59.7608 5.11658 -59.7597 -13.3003 GPRESSURE: 695600 -105.077 11.3808 -41.7047 -4.16233 187.989 -48.1839 -69.2669 -30.5983 -14.0324 PRESSAVG: 695600 -37.2628 5.44232 -13.9179 5.4424 34.624 15.5454 -13.918 15.5455 38.4686 GPRESSAVG: 695600 -37.7135 6.91972 -14.6395 3.58224 34.0463 15.1646 -12.4079 14.7991 38.9621 TIMING: 695600 CPU: 2020.94, 0.00289423/step Wall: 2020.94, 0.00289423/step, 3.46054 hours remaining, 203.496094 MB of memory in use. ENERGY: 695600 803.5606 2132.9953 2002.4388 112.6357 -206505.8793 17978.8392 0.0000 0.0000 34149.2863 -149326.1235 298.2342 -183475.4097 -149234.1103 298.2247 -6.1368 22.9600 558414.1302 11.9432 11.7649 PRESSURE: 695800 23.3359 129.258 -56.0513 129.257 134.959 -46.5477 -56.0504 -46.5478 333.777 GPRESSURE: 695800 104.019 147.859 -105.105 43.5951 163.422 -41.7133 -14.9815 64.57 323.027 PRESSAVG: 695800 31.3459 17.6509 -19.1154 17.6511 6.11385 -27.5007 -19.1152 -27.5007 8.67781 GPRESSAVG: 695800 31.9125 17.9144 -15.3127 17.3392 5.59041 -27.5613 -21.1509 -26.2052 8.36204 TIMING: 695800 CPU: 2021.52, 0.00291536/step Wall: 2021.52, 0.00291536/step, 3.48564 hours remaining, 203.496094 MB of memory in use. ENERGY: 695800 728.0547 2115.6838 1986.8853 112.0607 -206409.1681 18059.6445 0.0000 0.0000 34177.8509 -149228.9882 298.4837 -183406.8392 -149137.2123 299.3539 164.0239 196.8225 557256.4400 15.3792 15.2883 PRESSURE: 696000 28.4007 -175.774 60.6317 -175.772 2.09207 -98.8921 60.6315 -98.8918 -3.76136 GPRESSURE: 696000 64.7566 -212.735 55.2385 -140.054 4.65875 -119.188 112.024 -93.9683 43.3351 PRESSAVG: 696000 -35.1944 33.5116 -10.909 33.5116 15.4757 17.1099 -10.909 17.11 42.9356 GPRESSAVG: 696000 -36.197 31.8446 -13.232 36.5092 15.3868 17.4795 -9.37925 16.5933 44.0908 TIMING: 696000 CPU: 2022.1, 0.00289552/step Wall: 2022.1, 0.00289552/step, 3.46175 hours remaining, 203.496094 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: 696000 708.7795 2164.3610 1991.4159 113.8363 -206194.8083 17811.3117 0.0000 0.0000 34246.0942 -149159.0098 299.0797 -183405.1040 -149064.9286 299.7928 8.9105 37.5835 558443.1359 7.7389 7.7602 PRESSURE: 696200 -1.36646 -70.0297 72.0379 -70.0305 -63.4891 -144.988 72.0384 -144.987 22.0296 GPRESSURE: 696200 37.981 -21.8695 75.1857 -55.2328 -58.3264 -213.269 62.3258 -99.7259 62.2718 PRESSAVG: 696200 6.02885 -9.12663 5.93055 -9.12661 -71.6951 14.7734 5.9307 14.7735 7.22654 GPRESSAVG: 696200 7.27486 -8.95898 5.46332 -10.3397 -72.6609 13.6303 4.30016 15.7293 6.42385 TIMING: 696200 CPU: 2022.68, 0.00289375/step Wall: 2022.68, 0.00289375/step, 3.45948 hours remaining, 203.496094 MB of memory in use. ENERGY: 696200 754.7784 2164.0352 1964.8841 112.6691 -206589.7188 17892.3389 0.0000 0.0000 34414.3922 -149286.6208 300.5494 -183701.0130 -149184.9209 299.0788 -14.2753 13.9755 557194.5535 -19.4799 -19.6541 LDB: ============= START OF LOAD BALANCING ============== 2026.15 LDB: ============== END OF LOAD BALANCING =============== 2026.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2026.15 LDB: ============= START OF LOAD BALANCING ============== 2026.44 LDB: Largest compute 4820 load 0.027644 is 23.5% of average load 0.117568 LDB: Average compute 0.001740 is 1.5% of average load 0.117568 LDB: TIME 2026.44 LOAD: AVG 0.117568 MAX 0.177145 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.641 MB LDB: TIME 2026.44 LOAD: AVG 0.117568 MAX 0.177145 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.641 MB LDB: TIME 2026.44 LOAD: AVG 0.117568 MAX 0.177145 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2026.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2026.45 PRESSURE: 696400 -34.6765 16.6712 -126.146 16.6713 265.691 120.075 -126.147 120.076 5.8921 GPRESSURE: 696400 -8.50419 -27.2494 -41.3392 41.3302 297.24 138.044 -202.549 59.8418 32.5616 PRESSAVG: 696400 -16.7885 -34.0965 -2.14099 -34.0965 -7.3623 4.45753 -2.14092 4.45747 18.1444 GPRESSAVG: 696400 -17.4399 -33.0944 -1.50451 -32.1886 -6.61796 5.52179 -0.150236 2.45609 17.7247 TIMING: 696400 CPU: 2023.27, 0.00296616/step Wall: 2023.27, 0.00296616/step, 3.54588 hours remaining, 204.656250 MB of memory in use. ENERGY: 696400 765.9847 2074.1239 1992.6200 100.6671 -206325.5438 17859.7498 0.0000 0.0000 34176.8069 -149355.5914 298.4746 -183532.3983 -149262.1864 299.1231 78.9690 107.0992 557031.0745 -2.0021 -2.1111 PRESSURE: 696600 -16.1481 113.886 -187.436 113.885 -294.245 77.9745 -187.438 77.9744 123.804 GPRESSURE: 696600 14.1277 40.5489 -152.508 102.11 -245.282 121.25 -115.961 122.988 132.005 PRESSAVG: 696600 -14.901 117.844 1.65144 117.844 -36.6874 -37.4968 1.65143 -37.4969 21.1996 GPRESSAVG: 696600 -15.0784 117.954 1.26581 116.165 -37.1637 -37.5693 -0.0307574 -36.3651 21.5275 TIMING: 696600 CPU: 2023.86, 0.00292654/step Wall: 2023.86, 0.00292654/step, 3.49836 hours remaining, 204.898438 MB of memory in use. ENERGY: 696600 731.9808 2070.6085 1972.0473 113.1496 -206415.4479 17820.8868 0.0000 0.0000 34454.3711 -149252.4037 300.8986 -183706.7748 -149148.4298 299.3499 -62.1962 -33.0496 558519.9879 -10.1296 -10.2382 PRESSURE: 696800 -79.3554 -88.4808 -7.19896 -88.4812 -10.2823 -71.1305 -7.19852 -71.1306 -126.606 GPRESSURE: 696800 -17.7776 -124.532 24.5356 -112.595 -1.83621 -109.276 -38.9718 -48.2414 -104.92 PRESSAVG: 696800 63.3184 6.45859 65.3619 6.45875 -43.7331 9.19048 65.3619 9.19041 -18.9298 GPRESSAVG: 696800 63.9948 7.39391 63.7719 5.81081 -44.0595 10.2412 65.3698 8.2249 -19.3419 TIMING: 696800 CPU: 2024.44, 0.00292037/step Wall: 2024.44, 0.00292037/step, 3.49082 hours remaining, 205.101562 MB of memory in use. ENERGY: 696800 719.9869 2068.6817 1993.4980 115.4856 -206291.0294 17676.2408 0.0000 0.0000 34386.5364 -149330.6000 300.3062 -183717.1364 -149237.8085 299.4976 -72.0814 -41.5113 556207.2554 0.2185 0.1978 PRESSURE: 697000 -19.754 82.2263 23.1811 82.2269 -379.663 -79.4444 23.1814 -79.4441 -275.203 GPRESSURE: 697000 46.9486 118.125 93.101 72.6666 -374.686 -95.5434 21.1656 -37.4601 -242.525 PRESSAVG: 697000 7.77119 4.28207 -12.7974 4.28211 17.8261 2.61993 -12.7975 2.61993 1.65901 GPRESSAVG: 697000 8.27233 3.23609 -10.5914 4.46282 16.8957 1.42401 -13.0931 3.21138 2.27175 TIMING: 697000 CPU: 2025.02, 0.00290241/step Wall: 2025.02, 0.00290241/step, 3.46919 hours remaining, 205.101562 MB of memory in use. ENERGY: 697000 761.8433 2119.6833 2011.1561 110.9129 -206278.5717 17611.3070 0.0000 0.0000 34387.9598 -149275.7093 300.3186 -183663.6690 -149178.7957 299.7279 -224.8733 -190.0876 557329.7167 9.0854 9.1466 PRESSURE: 697200 -82.8466 -53.0301 -97.2692 -53.0299 280.613 107.045 -97.2686 107.043 -134.257 GPRESSURE: 697200 -103.163 46.0485 -105.84 -61.2496 331.407 204.257 -98.3928 136.411 -72.731 PRESSAVG: 697200 56.0153 3.56954 -30.838 3.56953 -42.4828 5.82063 -30.8379 5.82039 -33.4169 GPRESSAVG: 697200 54.9299 3.88582 -33.0394 2.64122 -41.7359 5.15015 -28.6765 6.43421 -33.1552 TIMING: 697200 CPU: 2025.61, 0.00291387/step Wall: 2025.61, 0.00291387/step, 3.48272 hours remaining, 205.101562 MB of memory in use. ENERGY: 697200 731.1505 2136.5243 1986.1387 112.8232 -206368.4877 17859.4902 0.0000 0.0000 34375.4418 -149166.9191 300.2093 -183542.3609 -149073.2385 298.9175 21.1696 51.8374 555839.2338 -6.6282 -6.6537 PRESSURE: 697400 78.081 -143.609 -90.0618 -143.609 -118.977 -22.7855 -90.0609 -22.7866 157.577 GPRESSURE: 697400 56.5949 -174.093 -112.414 -178.447 4.40116 112.92 -89.3771 -131.078 164.275 PRESSAVG: 697400 -17.8569 -47.1211 18.968 -47.1211 37.6792 29.9804 18.9679 29.9804 -19.3822 GPRESSAVG: 697400 -17.8965 -47.6132 19.6265 -45.6295 37.2714 30.9877 17.2819 30.7311 -19.0969 TIMING: 697400 CPU: 2026.18, 0.0028812/step Wall: 2026.18, 0.0028812/step, 3.44351 hours remaining, 205.160156 MB of memory in use. ENERGY: 697400 751.4227 2100.4286 1985.1925 107.3458 -206194.8671 17987.1445 0.0000 0.0000 34244.5809 -149018.7522 299.0664 -183263.3330 -148919.7621 299.6614 38.8937 75.0903 557469.2552 0.1467 0.0927 PRESSURE: 697600 84.866 -166.728 19.3198 -166.726 -273.467 49.6349 19.3211 49.6374 -35.719 GPRESSURE: 697600 127.415 -112.785 -11.8342 -100.922 -263.081 38.8311 -16.8929 12.406 11.7369 PRESSAVG: 697600 21.1455 -29.1782 -7.16651 -29.1783 50.4508 -39.9736 -7.16643 -39.9738 5.3049 GPRESSAVG: 697600 20.9472 -30.7678 -8.80663 -28.8004 52.2999 -40.4561 -7.67092 -41.3195 3.99121 TIMING: 697600 CPU: 2026.76, 0.00286825/step Wall: 2026.76, 0.00286825/step, 3.42788 hours remaining, 205.160156 MB of memory in use. ENERGY: 697600 740.0187 2121.7864 1983.6526 114.4694 -206122.2798 17686.5294 0.0000 0.0000 34334.5158 -149141.3075 299.8519 -183475.8232 -149042.5757 299.6785 -74.7734 -41.3094 557513.4239 25.6337 25.7461 PRESSURE: 697800 -125.344 -61.76 -91.3877 -61.7602 235.769 37.0494 -91.387 37.0505 64.6572 GPRESSURE: 697800 -98.1687 -10.0362 -94.8263 -60.7189 262.237 20.0117 19.4182 56.1629 114.447 PRESSAVG: 697800 -12.7585 -69.9748 -11.5127 -69.9748 -5.04939 36.0993 -11.5125 36.0992 30.0004 GPRESSAVG: 697800 -12.9638 -67.7606 -8.82584 -69.0795 -5.39233 35.7026 -11.6491 35.7602 30.328 TIMING: 697800 CPU: 2027.33, 0.00288136/step Wall: 2027.33, 0.00288136/step, 3.44339 hours remaining, 205.160156 MB of memory in use. ENERGY: 697800 722.0389 2139.6997 1959.7865 118.3423 -206176.8182 17856.6393 0.0000 0.0000 34264.5800 -149115.7316 299.2411 -183380.3116 -149020.8461 299.4673 58.3608 92.8383 557093.7038 4.0642 3.9906 PRESSURE: 698000 108.499 -23.763 3.90096 -23.7643 -174.003 -57.9633 3.90109 -57.9648 251.733 GPRESSURE: 698000 199.15 -115.765 -22.0007 13.2666 -155.462 -140.736 87.3056 -63.561 225.76 PRESSAVG: 698000 -0.91341 -5.17768 -41.3644 -5.17781 23.1809 26.2483 -41.3644 26.2484 -34.208 GPRESSAVG: 698000 -1.52907 -6.01032 -42.8933 -5.8866 23.1079 26.619 -40.0316 25.5825 -33.5666 TIMING: 698000 CPU: 2027.91, 0.00289514/step Wall: 2027.91, 0.00289514/step, 3.45969 hours remaining, 205.160156 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: 698000 743.4679 2104.9824 1973.6878 109.8953 -205987.5580 17792.1755 0.0000 0.0000 34250.1773 -149013.1718 299.1153 -183263.3491 -148916.1720 299.0351 62.0761 89.8163 558146.3115 -3.9802 -3.9959 PRESSURE: 698200 24.6398 38.5301 51.6184 38.5302 7.11625 165.615 51.6174 165.616 -103.74 GPRESSURE: 698200 13.2069 64.3386 -23.6645 103.037 68.6843 207.401 101.141 85.8197 -56.2927 PRESSAVG: 698200 -65.0708 -30.0945 40.5984 -30.0945 -32.2444 11.5896 40.5983 11.5896 81.9692 GPRESSAVG: 698200 -62.9468 -30.1673 41.2935 -31.7708 -33.3033 11.5349 39.2952 11.1294 81.003 TIMING: 698200 CPU: 2028.49, 0.00289803/step Wall: 2028.49, 0.00289803/step, 3.46299 hours remaining, 205.160156 MB of memory in use. ENERGY: 698200 758.5968 2133.6938 1985.7708 103.6315 -206291.4173 17900.9807 0.0000 0.0000 34188.9368 -149219.8068 298.5805 -183408.7436 -149121.7358 299.5792 -23.9947 8.5328 558996.2332 -5.1153 -5.0824 PRESSURE: 698400 48.1751 -148.731 -45.4195 -148.731 34.9025 13.3626 -45.4193 13.3622 -69.0304 GPRESSURE: 698400 90.4847 -127.939 -31.9496 -169.572 23.1335 10.397 -19.0766 24.7147 1.33547 PRESSAVG: 698400 11.8373 -74.895 -43.7665 -74.8949 -52.7995 70.4145 -43.7666 70.4147 22.9813 GPRESSAVG: 698400 10.5825 -76.0579 -43.9378 -73.6746 -52.2757 69.764 -43.8755 72.8869 23.9993 TIMING: 698400 CPU: 2029.08, 0.00292123/step Wall: 2029.08, 0.00292123/step, 3.49055 hours remaining, 205.160156 MB of memory in use. ENERGY: 698400 773.3317 2056.0003 1955.8110 115.8447 -206212.2877 17866.2225 0.0000 0.0000 34165.4084 -149279.6692 298.3750 -183445.0776 -149180.5883 298.7374 4.6824 38.3179 557019.0433 -5.9936 -5.8980 PRESSURE: 698600 -116.89 -230.53 -83.2696 -230.528 -126.891 201.121 -83.2696 201.12 32.2783 GPRESSURE: 698600 -50.1838 -244.374 -93.1104 -221.01 -96.6225 202.999 -85.2057 162.377 21.972 PRESSAVG: 698600 14.4063 -24.167 40.3267 -24.1669 7.40242 -4.13599 40.3267 -4.13593 10.9503 GPRESSAVG: 698600 13.9555 -23.9978 40.4498 -25.1551 8.39223 -2.64376 40.3437 -6.25417 10.1215 TIMING: 698600 CPU: 2029.66, 0.00291125/step Wall: 2029.66, 0.00291125/step, 3.47846 hours remaining, 205.160156 MB of memory in use. ENERGY: 698600 781.3619 2009.6953 2005.7923 98.0974 -206367.5895 17830.1152 0.0000 0.0000 34414.0757 -149228.4517 300.5467 -183642.5274 -149132.1896 299.6133 -70.5007 -41.6114 557552.5289 10.9197 10.8231 PRESSURE: 698800 -113.445 -214.157 97.1271 -214.156 90.3529 -39.4267 97.127 -39.426 -506.437 GPRESSURE: 698800 -75.6929 -265.815 181.999 -188.253 130.973 -82.5234 -13.8311 42.1177 -473.349 PRESSAVG: 698800 -14.2531 -47.9351 20.271 -47.9351 10.1234 -16.3903 20.271 -16.3903 16.5567 GPRESSAVG: 698800 -13.97 -44.7756 20.2852 -48.7659 10.0353 -17.788 20.4499 -16.2057 16.743 TIMING: 698800 CPU: 2030.24, 0.00290721/step Wall: 2030.24, 0.00290721/step, 3.47347 hours remaining, 205.160156 MB of memory in use. ENERGY: 698800 809.4552 2032.5304 1968.4024 113.9782 -205934.4800 17739.6652 0.0000 0.0000 34130.6357 -149139.8128 298.0713 -183270.4485 -149043.9381 299.4874 -176.5097 -139.3563 558939.1053 4.1424 4.2694 PRESSURE: 699000 -19.2919 44.8901 62.2154 44.8907 153.503 112.516 62.2148 112.516 -102.74 GPRESSURE: 699000 -6.51952 58.9897 3.04233 9.34685 173.682 130.12 54.0486 87.2569 -54.4321 PRESSAVG: 699000 -70.7649 -15.6002 16.2078 -15.6003 -31.4779 -19.933 16.2078 -19.9329 53.3878 GPRESSAVG: 699000 -71.4387 -17.3037 16.3736 -13.5201 -31.9237 -18.2534 17.6947 -19.0598 54.5395 TIMING: 699000 CPU: 2030.82, 0.00291723/step Wall: 2030.82, 0.00291723/step, 3.48528 hours remaining, 205.160156 MB of memory in use. ENERGY: 699000 765.7769 2070.1883 1963.2895 127.7726 -206308.3094 17991.9750 0.0000 0.0000 34346.5855 -149042.7216 299.9573 -183389.3071 -148943.2908 298.9541 10.4904 37.5769 557829.4359 -16.2850 -16.2743 PRESSURE: 699200 -118.788 184.037 102.393 184.037 -94.8841 162.127 102.392 162.125 -25.4674 GPRESSURE: 699200 -105.993 187.393 96.5994 94.5851 -72.2553 136.083 102.712 140.064 49.0275 PRESSAVG: 699200 -40.7303 8.18345 -42.4887 8.18345 25.7346 4.59386 -42.4886 4.59391 5.87186 GPRESSAVG: 699200 -38.7974 9.5903 -43.1463 6.38231 25.2897 3.76768 -43.1456 4.45309 4.52429 TIMING: 699200 CPU: 2031.41, 0.00292633/step Wall: 2031.41, 0.00292633/step, 3.49598 hours remaining, 205.160156 MB of memory in use. ENERGY: 699200 793.6367 2063.6640 1992.5107 113.2245 -206151.6883 17735.9714 0.0000 0.0000 34475.4683 -148977.2126 301.0828 -183452.6809 -148890.0922 299.3985 -79.7131 -43.0737 557258.9750 -3.0413 -2.9945 PRESSURE: 699400 -41.4973 22.4468 45.5201 22.4464 -60.5344 -111.224 45.5201 -111.224 141.371 GPRESSURE: 699400 31.7515 36.1837 90.0012 -26.308 -66.3357 -185.565 3.16681 -100.315 173.98 PRESSAVG: 699400 1.71695 -69.0785 28.9599 -69.0785 28.6161 14.2687 28.9599 14.2686 -9.29986 GPRESSAVG: 699400 -0.483521 -70.0019 29.3075 -66.2984 29.1477 10.9889 29.0665 16.0415 -8.24786 TIMING: 699400 CPU: 2031.99, 0.00290971/step Wall: 2031.99, 0.00290971/step, 3.47598 hours remaining, 205.160156 MB of memory in use. ENERGY: 699400 745.1679 2125.7494 1989.3908 112.3054 -206012.6288 17707.9192 0.0000 0.0000 34269.5510 -149062.5451 299.2845 -183332.0962 -148964.9975 299.9014 13.1129 46.4654 556395.8478 7.0111 6.8054 PRESSURE: 699600 -177.659 -14.786 -5.37991 -14.7867 175.611 -16.8874 -5.38019 -16.8866 -11.9623 GPRESSURE: 699600 -136.998 -71.9504 -91.0997 73.2052 198.118 -20.862 -38.5922 -46.1781 32.5518 PRESSAVG: 699600 -11.5622 -17.7171 -1.12526 -17.7171 -11.7748 -7.90348 -1.12527 -7.90351 34.2511 GPRESSAVG: 699600 -10.0204 -18.9226 -0.836107 -18.8125 -12.0952 -4.66384 -2.39151 -7.93028 32.8778 TIMING: 699600 CPU: 2032.57, 0.0029088/step Wall: 2032.57, 0.0029088/step, 3.47472 hours remaining, 205.160156 MB of memory in use. ENERGY: 699600 761.4586 2163.4092 1990.8426 114.6878 -206274.7887 17795.8908 0.0000 0.0000 34471.6772 -148976.8225 301.0497 -183448.4996 -148882.1967 300.1353 -4.6701 31.2241 557144.9276 3.6380 3.5874 PRESSURE: 699800 -121.28 26.6583 -157.05 26.6589 40.6675 -70.1907 -157.051 -70.1901 -34.628 GPRESSURE: 699800 -105.758 25.4305 -248.162 63.1342 56.322 -46.4986 -187.783 -99.8594 33.6121 PRESSAVG: 699800 5.6587 11.7944 -2.61643 11.7944 -0.884775 43.139 -2.61638 43.1392 -4.15632 GPRESSAVG: 699800 4.23529 11.0394 -2.64099 11.4677 0.201984 42.9181 -2.98589 44.3658 -3.83021 TIMING: 699800 CPU: 2033.15, 0.00286913/step Wall: 2033.15, 0.00286913/step, 3.42717 hours remaining, 205.160156 MB of memory in use. ENERGY: 699800 711.5016 2100.1466 1973.2553 119.0744 -206363.3995 17800.5858 0.0000 0.0000 34748.9519 -148909.8839 303.4712 -183658.8357 -148804.3700 300.4722 -38.4136 -5.2747 557132.0184 0.2059 0.2024 WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.010 seconds, 205.238 MB of memory in use PRESSURE: 700000 89.7307 -48.2242 -14.0538 -48.2228 156.145 -12.9025 -14.0539 -12.9024 -149.103 GPRESSURE: 700000 80.0728 -15.6632 -68.0653 -81.2249 188.169 91.7112 36.4005 -61.6463 -64.0613 PRESSAVG: 700000 7.14609 -36.4744 35.6759 -36.4745 -3.98781 -52.7495 35.6761 -52.7496 -7.73868 GPRESSAVG: 700000 7.66961 -35.8521 35.4558 -34.9887 -5.45089 -51.9564 37.3185 -54.4008 -5.99962 TIMING: 700000 CPU: 2033.74, 0.00295773/step Wall: 2033.74, 0.00295773/step, 3.53284 hours remaining, 205.238281 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: 700000 760.5610 2130.5604 1967.7001 106.2117 -205963.8553 17778.2218 0.0000 0.0000 34282.0514 -148938.5490 299.3937 -183220.6004 -148834.7438 300.0316 32.2573 68.0602 557383.3771 -1.5268 -1.2603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 PRESSURE: 700200 -12.1051 17.0812 141.003 17.0825 -267.53 310.842 141.004 310.841 11.6857 GPRESSURE: 700200 8.53114 29.6495 111.085 -19.3196 -159.6 273.315 157.459 245.607 -21.8377 PRESSAVG: 700200 10.2221 -48.3494 -70.9727 -48.3494 -21.7587 -31.1274 -70.9726 -31.1274 -21.9085 GPRESSAVG: 700200 10.5356 -46.9988 -71.4467 -49.9551 -21.4276 -32.2817 -71.6858 -30.3879 -22.8866 TIMING: 700200 CPU: 2034.31, 0.00288677/step Wall: 2034.31, 0.00288677/step, 3.44793 hours remaining, 205.238281 MB of memory in use. ENERGY: 700200 758.2689 2074.5738 1981.5823 125.7447 -206053.9595 17841.8753 0.0000 0.0000 34409.0850 -148862.8294 300.5031 -183271.9144 -148769.3515 300.0255 -89.3166 -57.6355 558445.4785 -11.1483 -11.2595 LDB: ============= START OF LOAD BALANCING ============== 2037.78 LDB: ============== END OF LOAD BALANCING =============== 2037.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2037.78 LDB: ============= START OF LOAD BALANCING ============== 2038.07 LDB: Largest compute 4827 load 0.027147 is 23.1% of average load 0.117585 LDB: Average compute 0.001735 is 1.5% of average load 0.117585 LDB: TIME 2038.07 LOAD: AVG 0.117585 MAX 0.178111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.152 MB LDB: TIME 2038.07 LOAD: AVG 0.117585 MAX 0.178111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.355 MB LDB: TIME 2038.07 LOAD: AVG 0.117585 MAX 0.178111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.355 MB LDB: ============== END OF LOAD BALANCING =============== 2038.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2038.08 PRESSURE: 700400 250.476 30.4996 -73.0375 30.4997 -56.2246 286.21 -73.0379 286.209 -185.892 GPRESSURE: 700400 239.408 76.0037 -16.8174 -48.9196 8.09007 387.254 -122.398 204.128 -132.275 PRESSAVG: 700400 62.4076 25.9221 -22.8855 25.9221 39.2429 23.0822 -22.8855 23.082 -88.762 GPRESSAVG: 700400 61.6461 25.3214 -22.4411 27.4296 39.2801 23.7679 -22.9678 22.1187 -88.1717 TIMING: 700400 CPU: 2034.9, 0.00293572/step Wall: 2034.9, 0.00293572/step, 3.50623 hours remaining, 203.097656 MB of memory in use. ENERGY: 700400 748.4270 2156.9102 1951.8399 102.3311 -205451.8936 17539.5885 0.0000 0.0000 33983.8328 -148968.9640 296.7893 -182952.7969 -148875.0208 300.4826 2.7866 38.4079 557608.0615 4.2962 4.2515 PRESSURE: 700600 144.749 110.332 44.3945 110.332 -41.0872 -38.9886 44.3945 -38.9889 5.23591 GPRESSURE: 700600 171.546 67.0052 40.2313 225.224 -14.5868 25.304 77.1454 -35.6171 45.5597 PRESSAVG: 700600 62.4652 7.02258 -5.57989 7.02267 -71.0247 24.368 -5.57986 24.368 1.83438 GPRESSAVG: 700600 61.8576 6.38305 -6.05622 6.63658 -70.2282 25.2502 -6.74434 26.1664 0.835608 TIMING: 700600 CPU: 2035.48, 0.00288462/step Wall: 2035.48, 0.00288462/step, 3.44504 hours remaining, 203.097656 MB of memory in use. ENERGY: 700600 735.1233 2169.7014 1935.1266 117.0583 -206365.9179 17908.6550 0.0000 0.0000 34411.6262 -149088.6269 300.5253 -183500.2532 -148993.0535 299.2717 36.2994 67.5064 557141.4969 -2.2417 -2.5116 PRESSURE: 700800 -67.2538 -61.6492 -160.047 -61.6501 -251.2 -37.6599 -160.046 -37.6608 -182.611 GPRESSURE: 700800 -88.7459 -16.6242 -83.4916 -21.1186 -181.447 40.7607 -275.021 -64.0949 -124.25 PRESSAVG: 700800 16.1997 7.42233 -46.1701 7.42223 -19.4646 46.7938 -46.17 46.7939 -4.1049 GPRESSAVG: 700800 16.0807 9.05874 -46.4799 6.22006 -20.3781 45.6386 -41.7076 44.5667 -3.10039 TIMING: 700800 CPU: 2036.06, 0.0028981/step Wall: 2036.06, 0.0028981/step, 3.46098 hours remaining, 203.097656 MB of memory in use. ENERGY: 700800 741.8819 2131.9178 1987.4956 111.6479 -205855.6493 17624.2254 0.0000 0.0000 33949.7923 -149308.6884 296.4920 -183258.4807 -149217.1173 299.5190 -167.0215 -131.4810 558437.0660 -2.4566 -2.4659 PRESSURE: 701000 -463.207 64.7359 32.3244 64.735 34.0918 141.549 32.3248 141.549 -192.18 GPRESSURE: 701000 -414.399 105.613 3.91548 59.4064 9.51629 228.862 34.0382 150.881 -116.902 PRESSAVG: 701000 -54.6645 -26.9018 -14.6706 -26.9018 51.3857 -34.2909 -14.6706 -34.2909 -14.5702 GPRESSAVG: 701000 -54.6103 -28.5094 -13.1815 -24.8388 51.5161 -33.7353 -17.5528 -34.5152 -15.298 TIMING: 701000 CPU: 2036.64, 0.00289515/step Wall: 2036.64, 0.00289515/step, 3.45729 hours remaining, 203.097656 MB of memory in use. ENERGY: 701000 779.7718 2104.5438 1960.9797 113.0352 -206106.6473 17662.2351 0.0000 0.0000 34045.4680 -149440.6138 297.3275 -183486.0817 -149337.6301 298.6224 -207.0982 -173.9280 557308.4401 -5.9497 -6.1307 PRESSURE: 701200 -284.584 129.294 78.728 129.297 -149.817 62.7913 78.7277 62.7909 -235.487 GPRESSURE: 701200 -231.615 159.156 86.8328 25.3477 -102.379 91.8336 24.316 47.2925 -227.649 PRESSAVG: 701200 -59.7717 46.751 35.5072 46.7509 37.606 24.7574 35.5071 24.7574 7.79611 GPRESSAVG: 701200 -59.4644 47.433 35.2411 45.9241 37.992 26.6879 36.4619 23.5002 7.36829 TIMING: 701200 CPU: 2037.22, 0.00290067/step Wall: 2037.22, 0.00290067/step, 3.46372 hours remaining, 203.097656 MB of memory in use. ENERGY: 701200 783.3912 2137.1205 1953.1226 115.7438 -206212.6861 17540.0349 0.0000 0.0000 34239.2366 -149444.0364 299.0198 -183683.2731 -149346.2137 298.4404 -223.2959 -187.2141 557271.6657 -4.7899 -4.7014 PRESSURE: 701400 -214.614 0.829837 130.273 0.830111 210.367 -54.3079 130.274 -54.3063 -154.536 GPRESSURE: 701400 -182.413 15.4541 174.946 -76.0088 210.695 -53.8978 95.7208 12.9812 -95.543 PRESSAVG: 701400 13.0079 31.845 15.2445 31.8451 9.60164 -52.3194 15.2446 -52.3196 -22.1507 GPRESSAVG: 701400 12.6283 33.3392 16.3113 31.4201 9.16715 -55.7344 13.6359 -48.4142 -21.4701 TIMING: 701400 CPU: 2037.79, 0.00287703/step Wall: 2037.79, 0.00287703/step, 3.43533 hours remaining, 203.097656 MB of memory in use. ENERGY: 701400 770.9090 2076.9692 1945.8599 106.8456 -206515.6022 18115.4475 0.0000 0.0000 34053.6341 -149445.9369 297.3989 -183499.5711 -149348.2086 298.4756 -52.9277 -22.4201 558640.1024 0.1529 0.1084 PRESSURE: 701600 -462.713 -7.15476 -81.713 -7.15422 -146.754 -150.019 -81.7119 -150.02 -186.212 GPRESSURE: 701600 -421.607 -100.461 -27.7099 35.8954 -112.148 -114.815 -90.6663 -111.657 -155.483 PRESSAVG: 701600 -42.1213 8.04113 -30.4667 8.04129 30.5608 -9.61444 -30.4667 -9.6144 -23.7275 GPRESSAVG: 701600 -41.2157 6.78532 -32.5255 7.7204 31.2731 -6.55778 -28.2346 -12.4554 -25.2544 TIMING: 701600 CPU: 2038.37, 0.00287105/step Wall: 2038.37, 0.00287105/step, 3.42804 hours remaining, 203.097656 MB of memory in use. ENERGY: 701600 738.3050 2109.6834 1981.5109 95.9801 -206333.3062 17635.8074 0.0000 0.0000 34362.1526 -149409.8669 300.0932 -183772.0195 -149317.1678 298.3213 -265.2261 -229.7461 557213.4646 -11.7627 -11.7323 PRESSURE: 701800 -103.275 -80.9629 -39.4741 -80.962 -49.2145 -140.728 -39.4747 -140.729 -154.834 GPRESSURE: 701800 -108.14 -121.065 -81.5776 13.2551 -5.95563 -90.7669 -59.6562 -114.219 -97.1234 PRESSAVG: 701800 -11.8817 -19.2193 -32.82 -19.2193 45.3273 -41.643 -32.8199 -41.643 -66.4687 GPRESSAVG: 701800 -13.1704 -19.8691 -34.0901 -17.0509 44.6974 -43.3516 -33.3964 -41.1319 -65.025 TIMING: 701800 CPU: 2038.95, 0.00290783/step Wall: 2038.95, 0.00290783/step, 3.47179 hours remaining, 203.097656 MB of memory in use. ENERGY: 701800 744.7546 2084.8592 1974.6696 111.6815 -206021.3222 17616.7229 0.0000 0.0000 34237.2481 -149251.3863 299.0024 -183488.6344 -149161.4773 299.6050 -102.4413 -70.4065 556118.7243 -11.0077 -11.1660 PRESSURE: 702000 -77.6214 -89.8138 12.1422 -89.8129 -20.6816 41.8755 12.1421 41.8765 -183.989 GPRESSURE: 702000 -4.0044 -198.445 -18.6593 -100.043 -4.25794 100.072 -48.4617 22.714 -174.251 PRESSAVG: 702000 7.43313 -13.0636 15.4356 -13.0637 32.5362 -9.2574 15.4355 -9.25737 -70.1676 GPRESSAVG: 702000 8.42157 -12.6085 17.5202 -14.5763 32.4249 -7.00517 13.6657 -10.8262 -71.1437 TIMING: 702000 CPU: 2039.53, 0.00288773/step Wall: 2039.53, 0.00288773/step, 3.44763 hours remaining, 203.097656 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: 702000 737.8223 2082.7521 1983.2429 111.2202 -206134.9141 17643.9168 0.0000 0.0000 34317.1503 -149258.8095 299.7002 -183575.9598 -149175.1000 299.1387 -94.0973 -60.8376 556211.2418 -10.0661 -10.0991 PRESSURE: 702200 -151.384 14.4482 69.959 14.4487 -92.7243 -85.88 69.9584 -85.8773 -217.29 GPRESSURE: 702200 -163.268 116.471 85.6694 -41.08 -24.5803 -114.877 -6.30184 -119.689 -169.58 PRESSAVG: 702200 28.3317 14.3952 13.2293 14.3952 -38.2262 1.39842 13.2293 1.39836 40.8037 GPRESSAVG: 702200 28.3535 17.2908 14.7086 13.4045 -39.4081 -1.64479 13.7618 3.34063 42.3542 TIMING: 702200 CPU: 2040.1, 0.00289106/step Wall: 2040.1, 0.00289106/step, 3.45145 hours remaining, 203.097656 MB of memory in use. ENERGY: 702200 752.9901 2038.4290 1975.7026 107.2316 -206121.8177 17682.6341 0.0000 0.0000 34405.8307 -149158.9996 300.4747 -183564.8303 -149065.1538 299.2704 -153.7992 -119.1428 556706.8196 10.3031 10.4332 PRESSURE: 702400 -141.614 -49.3056 -43.7524 -49.3064 -78.5949 -94.6986 -43.7515 -94.6994 -255.552 GPRESSURE: 702400 -127.524 -100.488 -54.5468 -76.3608 -15.4861 -51.0551 -14.7777 -161.654 -239.952 PRESSAVG: 702400 28.5578 1.57981 16.1222 1.57978 -0.960854 -33.7267 16.1222 -33.7268 -25.7221 GPRESSAVG: 702400 28.4895 -1.29895 15.3738 3.42134 -0.452097 -33.44 15.2791 -32.9616 -26.8441 TIMING: 702400 CPU: 2040.68, 0.00290073/step Wall: 2040.68, 0.00290073/step, 3.46282 hours remaining, 203.097656 MB of memory in use. ENERGY: 702400 746.4476 2032.0325 1976.1126 113.8774 -205829.9627 17430.9249 0.0000 0.0000 34389.3384 -149141.2292 300.3306 -183530.5676 -149035.5707 299.6207 -158.5872 -127.6542 557354.6953 0.6250 0.3978 PRESSURE: 702600 99.525 -15.0131 -100.086 -15.012 -4.32481 -111.143 -100.087 -111.142 -266.814 GPRESSURE: 702600 88.4724 -1.35234 -74.2998 -31.1292 45.3939 -208.95 -143.131 6.71225 -211.001 PRESSAVG: 702600 -6.0893 -46.1332 -7.9205 -46.1332 22.5266 -63.3045 -7.92038 -63.3044 -28.8661 GPRESSAVG: 702600 -6.19214 -45.7467 -9.07892 -44.8434 22.5488 -63.5949 -7.85383 -63.7105 -28.8805 TIMING: 702600 CPU: 2041.26, 0.0028943/step Wall: 2041.26, 0.0028943/step, 3.45499 hours remaining, 203.097656 MB of memory in use. ENERGY: 702600 701.5988 2113.3297 1971.7444 112.7234 -205916.6861 17757.3780 0.0000 0.0000 34212.1330 -149047.7787 298.7831 -183259.9117 -148952.7054 299.1523 -57.2046 -25.7116 559066.5354 -4.1429 -4.1746 PRESSURE: 702800 -336.192 149.809 63.5746 149.808 -197.464 -169.553 63.5748 -169.552 -186.166 GPRESSURE: 702800 -282.248 159.735 116.86 181.156 -195.025 -48.5443 61.7371 -196.348 -150.591 PRESSAVG: 702800 -29.0111 -7.00313 -24.5064 -7.00302 30.8248 -79.4384 -24.5064 -79.4383 26.8064 GPRESSAVG: 702800 -28.9641 -3.67444 -22.5703 -9.38089 30.456 -79.4921 -23.5436 -79.9769 27.3148 TIMING: 702800 CPU: 2041.84, 0.00289122/step Wall: 2041.84, 0.00289122/step, 3.45115 hours remaining, 203.097656 MB of memory in use. ENERGY: 702800 749.1035 2059.1079 1983.8500 108.1992 -205888.9911 17642.5710 0.0000 0.0000 34280.6891 -149065.4704 299.3818 -183346.1596 -148967.5596 299.6537 -239.9410 -209.2881 559271.6375 9.5400 9.6022 PRESSURE: 703000 28.5979 53.2585 -126.045 53.2591 -61.9845 -142.295 -126.045 -142.295 38.7327 GPRESSURE: 703000 46.2539 117.682 -157.434 -26.8732 -28.0125 -167.898 -80.6539 -183.674 85.0268 PRESSAVG: 703000 -23.0177 20.9564 -8.86126 20.9564 33.5861 -56.8175 -8.86121 -56.8175 9.56866 GPRESSAVG: 703000 -22.7424 22.0007 -11.1019 18.5845 34.1263 -53.1714 -8.30751 -55.3059 9.06519 TIMING: 703000 CPU: 2042.42, 0.00287732/step Wall: 2042.42, 0.00287732/step, 3.4344 hours remaining, 203.097656 MB of memory in use. ENERGY: 703000 734.9413 2034.2941 1955.6882 105.2897 -206391.8107 17799.2892 0.0000 0.0000 34392.5650 -149369.7432 300.3588 -183762.3082 -149265.5697 298.7275 1.7820 34.4228 557419.5514 6.7123 6.8164 PRESSURE: 703200 0.725235 59.4319 10.5309 59.4316 -65.6788 -1.12186 10.5312 -1.12287 95.5461 GPRESSURE: 703200 44.9095 130.586 -31.0217 80.6483 -10.2447 -66.5102 -75.5268 -13.0156 90.5182 PRESSAVG: 703200 -28.0403 -5.22714 -41.7953 -5.22718 55.6545 25.7616 -41.7952 25.7615 4.32794 GPRESSAVG: 703200 -27.3504 -6.76063 -40.6406 -3.58075 55.5818 23.1428 -42.0904 25.5006 4.10264 TIMING: 703200 CPU: 2042.99, 0.0028626/step Wall: 2042.99, 0.0028626/step, 3.41667 hours remaining, 203.097656 MB of memory in use. ENERGY: 703200 743.8089 2038.5938 1971.9622 106.4453 -206322.5979 17778.3827 0.0000 0.0000 34360.3836 -149323.0214 300.0778 -183683.4051 -149220.1296 299.4278 10.1975 41.7277 556875.3901 10.6474 10.7780 PRESSURE: 703400 197.84 -247.349 138.474 -247.349 -88.0463 34.9593 138.475 34.9618 -226.101 GPRESSURE: 703400 217.202 -206.196 126.929 -278.298 -126.153 67.1453 78.2571 54.001 -114.105 PRESSAVG: 703400 37.3296 -36.3304 -6.61457 -36.3304 37.7942 62.8171 -6.61457 62.8172 -1.96046 GPRESSAVG: 703400 36.7691 -36.4946 -5.63176 -35.1669 38.047 63.8367 -8.32906 61.699 -1.97456 TIMING: 703400 CPU: 2043.57, 0.00289783/step Wall: 2043.57, 0.00289783/step, 3.45856 hours remaining, 203.097656 MB of memory in use. ENERGY: 703400 732.8873 2105.2098 1979.4310 116.2205 -206393.1491 17742.7747 0.0000 0.0000 34366.2055 -149350.4203 300.1286 -183716.6257 -149257.0960 299.1144 -38.7692 -7.6853 557411.2838 24.3878 24.2805 PRESSURE: 703600 -108.898 -170.565 -179.567 -170.565 152.547 -268.103 -179.566 -268.103 88.5066 GPRESSURE: 703600 -33.383 -264.708 -192.65 -125.614 177.908 -248.941 -120.314 -195.844 66.4779 PRESSAVG: 703600 68.3314 15.9077 9.85833 15.9079 -53.3484 4.3025 9.85837 4.30255 19.5261 GPRESSAVG: 703600 67.3821 14.2851 9.74607 15.0148 -53.5438 2.4333 11.3003 6.66157 20.3949 TIMING: 703600 CPU: 2044.15, 0.00288788/step Wall: 2044.15, 0.00288788/step, 3.44653 hours remaining, 203.097656 MB of memory in use. ENERGY: 703600 729.7427 2117.4592 1979.0598 108.8102 -206299.9891 17800.6710 0.0000 0.0000 34127.5489 -149436.6974 298.0444 -183564.2463 -149341.5561 299.0279 44.0520 70.3344 556415.7496 11.5030 11.4110 PRESSURE: 703800 226.072 -149.783 -131.925 -149.784 311.461 25.035 -131.924 25.0352 271.051 GPRESSURE: 703800 249.702 -181.244 -109.022 -130.425 336.473 -64.2116 -58.5164 53.7076 312.779 PRESSAVG: 703800 -47.8327 -60.6532 -27.9063 -60.6532 71.8753 -33.9673 -27.9063 -33.9673 -31.9173 GPRESSAVG: 703800 -46.1349 -61.1995 -27.2367 -59.6643 71.432 -32.3463 -27.3909 -37.1153 -33.325 TIMING: 703800 CPU: 2044.72, 0.00288594/step Wall: 2044.72, 0.00288594/step, 3.44405 hours remaining, 203.097656 MB of memory in use. ENERGY: 703800 715.8158 2033.9851 1957.3956 108.0192 -206864.5967 18263.0948 0.0000 0.0000 34266.4775 -149519.8088 299.2577 -183786.2863 -149425.5873 298.3048 269.5281 299.6513 557663.3481 -2.6249 -2.6760 PRESSURE: 704000 -54.625 155.178 -185.802 155.179 -91.7159 -68.3501 -185.801 -68.3499 -44.9701 GPRESSURE: 704000 -49.4467 196.769 -190.728 106.406 21.3981 -46.1967 -64.0154 -77.0591 -63.6216 PRESSAVG: 704000 38.166 -22.1634 -57.3336 -22.1634 -49.8013 65.3627 -57.3336 65.3626 6.89816 GPRESSAVG: 704000 38.2923 -20.1349 -57.2529 -22.8635 -49.976 64.9802 -57.1211 65.4888 7.02059 TIMING: 704000 CPU: 2045.3, 0.00290131/step Wall: 2045.3, 0.00290131/step, 3.46223 hours remaining, 203.097656 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: 704000 752.7146 2099.8348 1969.8747 107.5770 -206461.5183 17815.0818 0.0000 0.0000 34266.9182 -149449.5170 299.2615 -183716.4352 -149352.0300 298.6945 -63.7704 -30.5567 557269.7813 -1.5791 -1.5543 PRESSURE: 704200 -127.6 -97.6674 -58.8215 -97.6666 -163.289 6.29378 -58.8224 6.29204 -97.1356 GPRESSURE: 704200 -42.6887 -14.2492 -39.4555 -127.442 -173.115 -20.0091 -117.047 21.2112 -99.349 PRESSAVG: 704200 -32.1871 -10.6987 -4.58812 -10.6986 59.7142 -3.74649 -4.58804 -3.74653 -38.7072 GPRESSAVG: 704200 -32.2166 -11.5715 -6.47433 -9.69057 59.2975 -4.12629 -2.82191 -2.18465 -39.0303 TIMING: 704200 CPU: 2045.88, 0.0028786/step Wall: 2045.88, 0.0028786/step, 3.43497 hours remaining, 203.097656 MB of memory in use. ENERGY: 704200 758.6986 2087.9300 1945.7978 103.0917 -206127.6540 17566.7936 0.0000 0.0000 34185.2391 -149480.1032 298.5482 -183665.3422 -149382.4286 298.5699 -129.3418 -105.0510 557878.1066 -3.7267 -3.9831 LDB: ============= START OF LOAD BALANCING ============== 2049.34 LDB: ============== END OF LOAD BALANCING =============== 2049.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2049.35 LDB: ============= START OF LOAD BALANCING ============== 2049.64 LDB: Largest compute 4827 load 0.027252 is 23.2% of average load 0.117626 LDB: Average compute 0.001729 is 1.5% of average load 0.117626 LDB: TIME 2049.64 LOAD: AVG 0.117626 MAX 0.176725 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 2049.64 LOAD: AVG 0.117626 MAX 0.176725 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: TIME 2049.64 LOAD: AVG 0.117626 MAX 0.176725 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2049.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2049.64 PRESSURE: 704400 -141.599 -32.6423 -25.266 -32.642 -49.365 -39.9494 -25.2666 -39.9498 74.3051 GPRESSURE: 704400 -70.4594 -71.3929 -64.8336 -35.9312 15.2659 0.394905 -61.5266 -43.325 39.5813 PRESSAVG: 704400 12.8621 10.5596 -1.77682 10.5596 6.00886 -23.0115 -1.77676 -23.0115 -2.80056 GPRESSAVG: 704400 12.1357 10.5949 -2.9735 9.50015 6.73665 -24.22 -3.24581 -23.7004 -2.51124 TIMING: 704400 CPU: 2046.47, 0.00295127/step Wall: 2046.47, 0.00295127/step, 3.52152 hours remaining, 204.230469 MB of memory in use. ENERGY: 704400 743.3147 2120.9382 1976.7002 112.3137 -206322.7430 17737.9156 0.0000 0.0000 34213.7360 -149417.8245 298.7971 -183631.5606 -149315.2876 298.4505 -38.8865 -5.2041 557703.7025 5.3568 5.4537 PRESSURE: 704600 82.6869 54.1064 66.0453 54.1064 104.856 52.1193 66.045 52.1182 31.1939 GPRESSURE: 704600 153.685 105.039 102.131 14.5813 98.7824 122.284 31.0199 43.7044 71.4102 PRESSAVG: 704600 -1.31093 -20.0507 -4.54122 -20.0507 -21.3993 -9.39988 -4.54129 -9.39983 -6.39506 GPRESSAVG: 704600 -1.42058 -19.6933 -1.26599 -20.7893 -22.5095 -7.63016 -6.03154 -10.8034 -5.62716 TIMING: 704600 CPU: 2047.05, 0.00289459/step Wall: 2047.05, 0.00289459/step, 3.45373 hours remaining, 204.472656 MB of memory in use. ENERGY: 704600 730.6581 2071.4077 1951.9429 96.7048 -206314.3954 18000.6570 0.0000 0.0000 34111.8441 -149351.1808 297.9072 -183463.0249 -149255.6188 298.2166 72.9122 107.9590 557358.2866 -9.7018 -9.8524 PRESSURE: 704800 -32.1289 61.914 50.0308 61.9136 -143.341 11.643 50.031 11.6438 -142.721 GPRESSURE: 704800 -4.84354 96.9273 58.19 30.8447 -61.3885 8.81176 18.8652 23.9526 -143.114 PRESSAVG: 704800 -19.9863 -23.6143 -22.4177 -23.6144 17.8464 -39.5744 -22.4176 -39.5745 -2.47851 GPRESSAVG: 704800 -20.0874 -23.9998 -23.5425 -23.4042 18.199 -41.8044 -22.4116 -37.412 -2.346 TIMING: 704800 CPU: 2047.63, 0.00288792/step Wall: 2047.63, 0.00288792/step, 3.44561 hours remaining, 204.472656 MB of memory in use. ENERGY: 704800 721.3611 2103.1501 1964.7418 105.1735 -206162.5990 17785.0688 0.0000 0.0000 34191.3558 -149291.7479 298.6016 -183483.1037 -149196.8873 298.1395 -106.0637 -69.7821 558209.2111 -1.5395 -1.4115 PRESSURE: 705000 -58.002 -55.5764 175.289 -55.5771 84.7522 30.9923 175.289 30.993 132.067 GPRESSURE: 705000 8.62227 -167.1 195.57 -69.9255 111.027 -1.51469 197.616 47.1729 138.479 PRESSAVG: 705000 -44.8771 28.2481 65.5262 28.2481 23.6804 14.1722 65.5262 14.1724 -13.6342 GPRESSAVG: 705000 -43.1223 25.9862 66.1169 29.6347 22.9611 15.8022 66.4338 11.8526 -14.3324 TIMING: 705000 CPU: 2048.2, 0.002891/step Wall: 2048.2, 0.002891/step, 3.44912 hours remaining, 204.472656 MB of memory in use. ENERGY: 705000 727.3446 2122.5981 1947.3843 99.1800 -206081.0776 17710.3256 0.0000 0.0000 33938.1443 -149536.1007 296.3903 -183474.2450 -149442.6300 298.4278 52.9391 86.0428 556406.0222 -11.6103 -11.4978 PRESSURE: 705200 139.201 -233.607 37.6064 -233.606 76.1158 56.7065 37.6066 56.7079 -220.143 GPRESSURE: 705200 178.838 -257.933 31.9669 -241.63 82.1068 61.7421 73.4406 49.0067 -172.299 PRESSAVG: 705200 42.5955 -26.0076 -5.74194 -26.0076 23.8035 -17.1213 -5.74191 -17.1214 -24.7196 GPRESSAVG: 705200 41.5718 -23.4273 -6.59891 -26.6565 24.5129 -17.0227 -5.72481 -16.9644 -24.7376 TIMING: 705200 CPU: 2048.79, 0.00290481/step Wall: 2048.79, 0.00290481/step, 3.46544 hours remaining, 204.472656 MB of memory in use. ENERGY: 705200 728.7785 2149.3026 1978.2099 112.8729 -206442.8831 17942.4869 0.0000 0.0000 33986.0767 -149545.1555 296.8089 -183531.2323 -149450.5259 297.5926 -1.6089 29.5489 555040.7531 13.8931 13.7824 PRESSURE: 705400 -79.2474 -119.972 207.713 -119.972 -156.798 -114.168 207.712 -114.168 -57.5077 GPRESSURE: 705400 -53.0006 -126.499 300.34 -80.3406 -135.583 -185.031 75.4745 -125.185 -3.93329 PRESSAVG: 705400 -2.1675 -28.6517 48.7798 -28.6518 60.0413 40.7166 48.7798 40.7166 -33.5829 GPRESSAVG: 705400 -3.12031 -30.3162 48.044 -26.8964 60.5916 39.5229 50.0282 40.8616 -33.2629 TIMING: 705400 CPU: 2049.37, 0.00289903/step Wall: 2049.37, 0.00289903/step, 3.45838 hours remaining, 204.472656 MB of memory in use. ENERGY: 705400 755.6207 2056.4759 1953.2946 108.2209 -206114.9578 17609.2229 0.0000 0.0000 34318.2926 -149313.8302 299.7102 -183632.1228 -149217.4037 298.5005 -97.8510 -64.1722 556158.2563 8.0970 8.0695 PRESSURE: 705600 269.54 97.253 -146.788 97.2525 208.133 111.994 -146.788 111.994 -67.2847 GPRESSURE: 705600 272.969 143.465 -110.718 177.29 227.353 143.576 -101.547 206.346 -11.1397 PRESSAVG: 705600 37.8971 -17.806 -1.72471 -17.8061 -10.016 63.2783 -1.72471 63.2783 -4.4635 GPRESSAVG: 705600 37.6561 -15.0685 0.456585 -19.3945 -9.52837 64.5935 -3.04912 64.2719 -4.57223 TIMING: 705600 CPU: 2049.94, 0.00289394/step Wall: 2049.94, 0.00289394/step, 3.45215 hours remaining, 204.472656 MB of memory in use. ENERGY: 705600 734.8444 2114.1146 1946.6690 108.3388 -206278.5994 17842.2541 0.0000 0.0000 34171.6019 -149360.7767 298.4291 -183532.3785 -149264.5118 299.3733 136.7961 163.0607 554632.6892 7.8059 7.8518 PRESSURE: 705800 45.4515 -233.189 -118.381 -233.19 -59.7943 54.5192 -118.382 54.5163 155.998 GPRESSURE: 705800 140.524 -310.46 -153.603 -132.909 -26.8358 51.4083 -80.9026 60.3237 108.886 PRESSAVG: 705800 26.2988 -49.5419 20.3487 -49.542 -35.7322 42.6742 20.3487 42.6742 12.3963 GPRESSAVG: 705800 26.1078 -48.2839 20.3327 -51.1794 -35.1517 41.4397 20.4135 43.5469 11.6777 TIMING: 705800 CPU: 2050.52, 0.0028744/step Wall: 2050.52, 0.0028744/step, 3.42868 hours remaining, 204.472656 MB of memory in use. ENERGY: 705800 750.9486 2097.8109 1942.6722 111.2487 -206491.5650 17984.9775 0.0000 0.0000 34261.9434 -149341.9637 299.2181 -183603.9071 -149262.8468 298.5615 47.2184 74.1913 556945.8735 0.9876 0.8779 PRESSURE: 706000 215.728 139.744 -74.7865 139.744 65.2749 -158.281 -74.7863 -158.281 89.7406 GPRESSURE: 706000 214.204 245.008 -64.6709 115.672 143.48 -161.329 -73.5013 -174.429 107.947 PRESSAVG: 706000 58.5046 -30.4829 -39.4828 -30.4829 1.4756 6.23048 -39.4829 6.23041 -53.7578 GPRESSAVG: 706000 59.8058 -34.2244 -38.8862 -27.6723 1.09461 6.39784 -39.626 6.84027 -53.9143 TIMING: 706000 CPU: 2051.1, 0.00288806/step Wall: 2051.1, 0.00288806/step, 3.44481 hours remaining, 204.472656 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: 706000 706.8278 2062.2282 1964.9603 114.7983 -206354.5172 18021.1148 0.0000 0.0000 34257.1598 -149227.4279 299.1763 -183484.5877 -149120.5398 298.4835 123.5812 155.2104 556939.5147 2.0741 2.3287 PRESSURE: 706200 -377.103 168.365 268.897 168.365 197.554 -81.0581 268.897 -81.0593 -120.798 GPRESSURE: 706200 -284.824 150.939 261.726 220.95 175.82 -124.449 284.539 -133.897 -83.5425 PRESSAVG: 706200 6.16108 -11.5352 38.8999 -11.5351 -42.7885 15.7086 38.9 15.7085 17.9016 GPRESSAVG: 706200 6.68286 -10.4971 37.1746 -11.9139 -43.1312 14.3133 38.4686 15.2246 18.1537 TIMING: 706200 CPU: 2051.67, 0.00289203/step Wall: 2051.67, 0.00289203/step, 3.44939 hours remaining, 204.472656 MB of memory in use. ENERGY: 706200 728.4108 2113.0225 1947.6303 113.6914 -206054.2532 17625.3777 0.0000 0.0000 34407.3896 -149118.7310 300.4883 -183526.1205 -149017.3226 299.1737 -100.1156 -64.1821 556786.6839 -6.2419 -6.0982 PRESSURE: 706400 -102.911 18.925 49.0434 18.9253 53.5818 -352.123 49.0422 -352.123 -117.886 GPRESSURE: 706400 -61.0543 74.7826 -13.7977 -66.7655 128.349 -341.792 48.6815 -337.334 -137.234 PRESSAVG: 706400 6.73517 -6.9159 0.791831 -6.91591 16.469 -69.0643 0.791867 -69.0644 -3.53066 GPRESSAVG: 706400 5.80886 -8.59252 0.653338 -8.71724 15.95 -66.5036 2.37587 -71.5543 -2.55511 TIMING: 706400 CPU: 2052.25, 0.0028991/step Wall: 2052.25, 0.0028991/step, 3.45766 hours remaining, 204.472656 MB of memory in use. ENERGY: 706400 706.8971 2142.4085 1960.2968 120.1216 -205947.9835 17471.7559 0.0000 0.0000 34403.9714 -149142.5322 300.4584 -183546.5036 -149048.9947 299.4060 -55.7386 -23.3129 556542.3004 6.5578 6.4012 PRESSURE: 706600 -143.774 251.907 -29.6107 251.906 -172.975 -86.5319 -29.612 -86.5317 -268.456 GPRESSURE: 706600 -187.38 324.059 -24.8287 165.065 -92.3575 -45.2144 -64.6519 -109.181 -200.165 PRESSAVG: 706600 3.45766 -5.17479 12.0203 -5.17467 2.86649 7.16709 12.0202 7.16707 5.21635 GPRESSAVG: 706600 3.14681 -2.27871 11.9529 -4.8055 3.28123 7.50764 12.1553 8.84283 4.73555 TIMING: 706600 CPU: 2052.83, 0.00289776/step Wall: 2052.83, 0.00289776/step, 3.4559 hours remaining, 204.472656 MB of memory in use. ENERGY: 706600 761.9880 2105.3140 1942.7095 121.8684 -205734.6707 17427.8101 0.0000 0.0000 34227.5666 -149147.4141 298.9179 -183374.9806 -149056.5023 299.3612 -195.0687 -159.9676 557998.2996 3.8468 3.7212 PRESSURE: 706800 -127.954 84.4403 -16.2347 84.4402 -108.304 -0.584478 -16.2344 -0.584949 -147.818 GPRESSURE: 706800 -116.739 164.512 -34.7198 117.492 -36.6747 21.6322 62.4095 23.852 -129.765 PRESSAVG: 706800 1.22065 30.0079 22.2698 30.0079 28.385 -7.09074 22.2697 -7.09072 -36.676 GPRESSAVG: 706800 0.914553 28.9551 21.0643 32.0569 28.2988 -7.71796 21.5717 -6.21424 -36.8961 TIMING: 706800 CPU: 2053.41, 0.00288003/step Wall: 2053.41, 0.00288003/step, 3.4346 hours remaining, 204.472656 MB of memory in use. ENERGY: 706800 761.6332 2114.7425 1980.1141 131.8598 -206113.9305 17596.6058 0.0000 0.0000 34413.9246 -149115.0505 300.5454 -183528.9751 -149024.9240 299.5224 -128.0252 -94.3929 558550.5242 -2.3568 -2.5609 PRESSURE: 707000 73.1161 -117.662 19.4601 -117.662 135.048 12.3679 19.4593 12.3675 20.6135 GPRESSURE: 707000 174.506 -121.046 64.6052 -172.903 149.342 42.2522 35.6544 -26.8129 11.3539 PRESSAVG: 707000 -3.34026 10.7252 -2.56686 10.7252 -16.1068 42.3965 -2.56679 42.3965 -19.6603 GPRESSAVG: 707000 -2.08496 9.57426 -0.288884 9.05553 -16.2724 43.7422 -1.06245 39.2762 -20.7482 TIMING: 707000 CPU: 2053.98, 0.00286021/step Wall: 2053.98, 0.00286021/step, 3.41081 hours remaining, 204.472656 MB of memory in use. ENERGY: 707000 739.6497 2070.9260 1938.7043 116.0878 -206327.9742 17975.6877 0.0000 0.0000 34338.2725 -149148.6463 299.8847 -183486.9188 -149053.7212 299.3125 76.2592 111.7340 558155.0708 -13.0358 -13.0352 PRESSURE: 707200 150.65 70.3485 0.988657 70.3478 -14.1065 73.7708 0.989025 73.7713 -272.241 GPRESSURE: 707200 218.604 57.7374 13.8863 20.3203 -0.540177 74.6497 5.78002 45.4551 -250.161 PRESSAVG: 707200 -4.36348 33.7616 38.6932 33.7617 -35.5148 -15.6129 38.6932 -15.6129 -29.4391 GPRESSAVG: 707200 -4.8616 32.8755 36.4625 34.4082 -35.3919 -19.3564 36.5474 -13.8807 -28.7093 TIMING: 707200 CPU: 2054.56, 0.00289975/step Wall: 2054.56, 0.00289975/step, 3.45779 hours remaining, 204.734375 MB of memory in use. ENERGY: 707200 749.8085 2110.2626 1935.6311 107.9851 -206457.8679 17990.7782 0.0000 0.0000 34344.3862 -149219.0163 299.9381 -183563.4025 -149116.6043 299.4405 -45.2324 -10.6988 558251.2906 -23.1058 -22.9876 PRESSURE: 707400 204.597 -18.9693 69.1426 -18.9683 -199.38 73.1011 69.1428 73.1014 103.435 GPRESSURE: 707400 186.923 -10.7027 35.4523 -36.4202 -160.739 34.703 20.8861 64.8542 171.443 PRESSAVG: 707400 67.0482 -9.79671 -22.584 -9.79673 25.6505 14.4303 -22.584 14.4303 -48.5739 GPRESSAVG: 707400 65.5704 -10.379 -22.1449 -10.6557 25.1458 18.0472 -21.8742 12.9462 -47.2182 TIMING: 707400 CPU: 2055.14, 0.00289819/step Wall: 2055.14, 0.00289819/step, 3.45577 hours remaining, 204.734375 MB of memory in use. ENERGY: 707400 730.0186 2033.9514 1965.7125 111.5962 -206146.9722 17836.8445 0.0000 0.0000 34246.7260 -149222.1230 299.0852 -183468.8491 -149130.3482 299.0013 36.2174 65.8756 557633.0711 14.7082 14.4993 PRESSURE: 707600 -180 10.1364 -15.7433 10.1363 37.0486 92.3605 -15.7431 92.3613 262.66 GPRESSURE: 707600 -139.783 8.07814 27.438 14.3562 51.7843 83.3946 -104.22 96.8886 296.063 PRESSAVG: 707600 -37.0649 51.4057 55.4962 51.4056 -19.7618 32.442 55.4963 32.442 15.2286 GPRESSAVG: 707600 -36.1717 52.7696 56.2814 50.9697 -18.6773 29.8068 56.427 33.3877 13.3289 TIMING: 707600 CPU: 2055.72, 0.00289934/step Wall: 2055.72, 0.00289934/step, 3.45698 hours remaining, 204.734375 MB of memory in use. ENERGY: 707600 678.7412 2157.6115 1963.6053 111.8578 -206070.3627 17694.0786 0.0000 0.0000 34263.7362 -149200.7322 299.2337 -183464.4683 -149109.4590 299.4010 39.9028 69.3546 558479.8289 -13.8660 -13.8400 PRESSURE: 707800 -47.7719 -26.1805 24.3198 -26.1803 8.66684 -13.791 24.3208 -13.7901 -12.1208 GPRESSURE: 707800 3.98223 -50.7005 36.3577 2.47588 1.94605 -18.8864 42.3369 65.2535 30.5406 PRESSAVG: 707800 -4.29989 5.18216 4.84558 5.18218 26.9697 3.22557 4.84564 3.2256 -66.5274 GPRESSAVG: 707800 -4.60697 4.59027 3.91218 5.06703 26.3745 1.99341 5.24942 4.52956 -65.8789 TIMING: 707800 CPU: 2056.3, 0.0028907/step Wall: 2056.3, 0.0028907/step, 3.44652 hours remaining, 204.734375 MB of memory in use. ENERGY: 707800 737.8525 2097.0762 1988.6469 116.3330 -206386.9785 17941.0297 0.0000 0.0000 34151.8943 -149354.1459 298.2570 -183506.0402 -149252.0373 299.2580 -17.0753 12.1563 557731.9525 -14.6192 -14.7038 PRESSURE: 708000 -111.615 -105.825 79.6655 -105.824 -44.5602 -61.8483 79.6657 -61.8482 -152.643 GPRESSURE: 708000 -24.9254 -121.192 141.994 -121.808 -54.1858 -100.521 6.92043 -20.6119 -130.539 PRESSAVG: 708000 -23.2193 -21.3787 -1.4116 -21.3787 10.7763 -6.63766 -1.41146 -6.63764 67.8146 GPRESSAVG: 708000 -23.521 -21.9285 -0.034299 -19.6724 11.4749 -4.37917 -3.80389 -7.88941 67.5084 TIMING: 708000 CPU: 2056.88, 0.00289502/step Wall: 2056.88, 0.00289502/step, 3.4515 hours remaining, 204.734375 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: 708000 741.7139 2084.2502 1948.4987 123.0411 -206051.0752 17630.8801 0.0000 0.0000 34071.9770 -149450.7142 297.5590 -183522.6912 -149345.6003 298.7063 -102.9393 -69.8835 556291.5904 18.4572 18.4874 PRESSURE: 708200 9.3608 -80.3289 -74.6821 -80.3277 -54.9996 158.566 -74.6824 158.564 -147.559 GPRESSURE: 708200 -15.3271 -32.2989 -43.4365 -121.06 3.06299 139.735 -72.1125 102.243 -71.756 PRESSAVG: 708200 -13.8894 1.26217 -19.5461 1.26213 -20.2506 8.02573 -19.5461 8.02579 -14.8743 GPRESSAVG: 708200 -14.7342 0.798967 -18.9701 0.356017 -19.7145 7.99016 -21.202 9.05972 -13.9621 TIMING: 708200 CPU: 2057.46, 0.00289618/step Wall: 2057.46, 0.00289618/step, 3.45273 hours remaining, 204.734375 MB of memory in use. ENERGY: 708200 692.9005 2109.7010 1961.5275 109.4146 -206160.6108 17606.5722 0.0000 0.0000 34193.2530 -149487.2419 298.6182 -183680.4949 -149387.9616 299.0322 -64.3992 -28.0067 556025.7124 -16.3381 -16.1369 LDB: ============= START OF LOAD BALANCING ============== 2060.92 LDB: ============== END OF LOAD BALANCING =============== 2060.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2060.92 LDB: ============= START OF LOAD BALANCING ============== 2061.21 LDB: Largest compute 4827 load 0.027139 is 23.1% of average load 0.117554 LDB: Average compute 0.001735 is 1.5% of average load 0.117554 LDB: TIME 2061.22 LOAD: AVG 0.117554 MAX 0.176288 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.129 MB LDB: TIME 2061.22 LOAD: AVG 0.117554 MAX 0.176288 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.188 MB LDB: TIME 2061.22 LOAD: AVG 0.117554 MAX 0.176288 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.188 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: 708400 33.1443 -108.106 140.289 -108.106 -120.26 227.455 140.287 227.453 -17.7586 GPRESSURE: 708400 21.8908 -88.6053 158.365 -81.9948 -65.5429 355.442 186.159 154.471 36.6358 PRESSAVG: 708400 21.7275 -69.9759 6.86718 -69.9758 15.2698 31.4281 6.86714 31.4281 -25.0729 GPRESSAVG: 708400 22.6711 -67.4366 5.54906 -71.6821 14.2963 32.3976 9.68961 29.2414 -24.7366 TIMING: 708400 CPU: 2058.05, 0.00294704/step Wall: 2058.05, 0.00294704/step, 3.5132 hours remaining, 203.863281 MB of memory in use. ENERGY: 708400 754.3407 2134.2645 1963.0945 105.5495 -206446.8772 17836.0992 0.0000 0.0000 34201.2638 -149452.2650 298.6881 -183653.5288 -149360.8653 298.2585 -34.9581 -2.3388 556789.6199 3.9748 4.0769 PRESSURE: 708600 -276.756 -13.5842 -13.2145 -13.5848 -206.569 151.111 -13.2158 151.112 50.0018 GPRESSURE: 708600 -268.729 -65.8102 -35.3943 42.1648 -151.633 151.562 -1.7764 207.407 78.1958 PRESSAVG: 708600 11.2072 -55.7746 19.0111 -55.7746 8.04527 140.343 19.0112 140.343 39.7312 GPRESSAVG: 708600 11.7673 -57.6489 16.5935 -54.3722 7.54932 139.702 19.4756 142.543 39.9149 TIMING: 708600 CPU: 2058.63, 0.00289/step Wall: 2058.63, 0.00289/step, 3.44504 hours remaining, 203.863281 MB of memory in use. ENERGY: 708600 750.3949 2110.8316 1971.3983 115.5282 -205980.9615 17529.4605 0.0000 0.0000 34165.6940 -149337.6540 298.3775 -183503.3480 -149239.4402 298.8772 -144.4411 -114.0554 557558.7902 19.6612 19.7438 PRESSURE: 708800 -360.678 1.80944 -0.392127 1.81023 -46.5169 29.613 -0.390883 29.6114 9.0917 GPRESSURE: 708800 -326.112 -112.993 -19.599 -86.514 14.328 79.8941 -10.1571 -13.3582 17.2025 PRESSAVG: 708800 -56.5292 -24.3616 -35.8445 -24.3615 8.36014 61.7751 -35.8445 61.7751 -9.54228 GPRESSAVG: 708800 -56.0055 -24.3498 -33.1807 -24.8287 9.02742 60.1928 -39.204 62.9835 -10.033 TIMING: 708800 CPU: 2059.21, 0.00291042/step Wall: 2059.21, 0.00291042/step, 3.46922 hours remaining, 203.863281 MB of memory in use. ENERGY: 708800 757.9135 2086.8336 1962.5451 98.8470 -206044.6948 17708.9039 0.0000 0.0000 34109.3357 -149320.3161 297.8853 -183429.6517 -149219.7731 298.6344 -132.7010 -98.1937 558110.8370 -19.2371 -19.0037 PRESSURE: 709000 -166.292 -62.7337 123.361 -62.7343 -3.6297 -93.4634 123.359 -93.4659 -281.289 GPRESSURE: 709000 -48.4422 -75.9572 150.303 -1.09218 -74.1259 -97.932 204.82 -25.9529 -225.339 PRESSAVG: 709000 -19.7735 -21.3252 45.7034 -21.3251 -1.43934 25.2771 45.7035 25.2772 35.3205 GPRESSAVG: 709000 -20.8034 -20.6784 43.8863 -21.5561 -1.28022 26.1909 47.4665 23.8706 35.8153 TIMING: 709000 CPU: 2059.78, 0.00287538/step Wall: 2059.78, 0.00287538/step, 3.42729 hours remaining, 204.289062 MB of memory in use. ENERGY: 709000 717.4085 2039.8268 1956.3594 112.7537 -205825.7359 17642.7011 0.0000 0.0000 34050.5520 -149306.1344 297.3719 -183356.6864 -149202.7125 299.3554 -150.4037 -115.9691 557674.4756 4.7026 4.5772 PRESSURE: 709200 -81.8264 -51.9467 152.75 -51.9457 68.7638 8.8728 152.749 8.87326 -233.922 GPRESSURE: 709200 -35.8352 24.2834 157.565 -78.9201 89.9014 -5.14789 173.087 -15.709 -199.529 PRESSAVG: 709200 55.6416 -66.5457 -8.92364 -66.5457 -76.0237 20.4925 -8.92366 20.4926 18.9179 GPRESSAVG: 709200 55.6461 -64.7626 -6.67555 -66.3795 -76.2631 20.8606 -10.1919 18.6937 19.2134 TIMING: 709200 CPU: 2060.36, 0.00288451/step Wall: 2060.36, 0.00288451/step, 3.43801 hours remaining, 204.289062 MB of memory in use. ENERGY: 709200 724.3944 2145.1956 1958.1305 108.2397 -206148.8016 17766.8704 0.0000 0.0000 34032.6431 -149413.3279 297.2155 -183445.9711 -149312.3616 298.6771 -82.3282 -48.4877 558733.8378 -0.4881 -0.4678 PRESSURE: 709400 -289.4 81.9815 -105.674 81.981 -240.705 -7.36181 -105.673 -7.36354 182.004 GPRESSURE: 709400 -207.546 104.997 -74.6152 4.70941 -209.434 -80.9551 -213.413 -5.54276 157.98 PRESSAVG: 709400 -10.4919 18.3116 -14.755 18.3116 -44.5425 54.9501 -14.7549 54.9501 32.474 GPRESSAVG: 709400 -10.0963 16.1443 -15.8376 18.5307 -45.1316 55.2479 -14.5492 53.7067 32.0851 TIMING: 709400 CPU: 2060.93, 0.00287757/step Wall: 2060.93, 0.00287757/step, 3.42959 hours remaining, 204.289062 MB of memory in use. ENERGY: 709400 744.7301 2066.8556 1981.9200 114.7264 -206013.0349 17523.8923 0.0000 0.0000 34261.5711 -149319.3393 299.2148 -183580.9104 -149227.3125 298.5352 -116.0338 -86.3331 559269.6405 -7.5201 -7.7143 PRESSURE: 709600 83.4932 -238.271 -17.7513 -238.271 28.2931 28.0192 -17.7508 28.0201 30.3927 GPRESSURE: 709600 89.1447 -209.132 17.9765 -227.424 86.5943 72.4063 -18.6769 47.2406 71.9837 PRESSAVG: 709600 -10.5213 -22.7959 -7.3734 -22.7958 -22.9086 -42.2764 -7.37333 -42.2764 54.3882 GPRESSAVG: 709600 -10.5564 -22.4392 -7.73197 -23.0747 -22.6 -44.2861 -6.16502 -39.6756 54.6785 TIMING: 709600 CPU: 2061.51, 0.00289754/step Wall: 2061.51, 0.00289754/step, 3.45322 hours remaining, 204.289062 MB of memory in use. ENERGY: 709600 733.7276 2114.6673 1952.0589 116.8109 -206510.1069 17937.2881 0.0000 0.0000 34195.5871 -149459.9670 298.6386 -183655.5540 -149354.5631 299.0091 47.3930 82.5742 556818.1378 6.9861 7.1740 PRESSURE: 709800 -146.445 91.6217 39.5321 91.6214 -264.599 121.05 39.5321 121.049 -107.182 GPRESSURE: 709800 -166.412 71.1113 3.69845 56.1046 -204.867 103.985 127.422 87.177 -36.7464 PRESSAVG: 709800 -2.26242 22.5588 35.064 22.5588 -53.4534 -30.4746 35.0641 -30.4746 68.6251 GPRESSAVG: 709800 -3.39062 22.1213 36.6931 22.804 -53.7356 -27.6579 34.2565 -31.6193 69.672 TIMING: 709800 CPU: 2062.09, 0.0028962/step Wall: 2062.09, 0.0028962/step, 3.45146 hours remaining, 204.289062 MB of memory in use. ENERGY: 709800 725.9787 2037.9810 1981.4679 118.2722 -206222.8508 17618.8530 0.0000 0.0000 34277.0817 -149463.2161 299.3503 -183740.2978 -149359.8450 298.5420 -172.7423 -136.0086 557745.3452 4.3031 4.1819 PRESSURE: 710000 -20.101 -111.887 -9.5197 -111.886 144.716 88.6843 -9.51998 88.6824 217.314 GPRESSURE: 710000 36.3419 -164.378 11.5862 -51.448 151.401 60.994 -21.9149 104.475 245.468 PRESSAVG: 710000 9.6844 -5.2255 11.7513 -5.22554 6.51655 30.7979 11.7512 30.798 -19.6969 GPRESSAVG: 710000 10.2222 -5.78074 9.97877 -4.82792 6.47002 32.4976 10.8848 30.2363 -20.1171 TIMING: 710000 CPU: 2062.67, 0.00290208/step Wall: 2062.67, 0.00290208/step, 3.45832 hours remaining, 204.289062 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: 710000 757.3187 2047.3673 1999.4285 111.6203 -206779.9359 18247.0113 0.0000 0.0000 34254.2008 -149362.9890 299.1505 -183617.1899 -149268.7965 298.4030 113.9762 144.4037 557578.7547 -1.1653 -1.1416 PRESSURE: 710200 -49.5497 -36.7607 -154.509 -36.7624 -8.48982 188.557 -154.509 188.558 5.50937 GPRESSURE: 710200 8.05067 -55.068 -180.364 5.67615 3.86704 223.539 -187.087 240.777 34.1032 PRESSAVG: 710200 19.1434 -6.25055 -23.8004 -6.25051 -7.72316 54.1087 -23.8004 54.1086 -5.01025 GPRESSAVG: 710200 18.8297 -5.57892 -23.1634 -8.20689 -7.43455 53.3397 -23.3466 54.5609 -5.24597 TIMING: 710200 CPU: 2063.25, 0.00289831/step Wall: 2063.25, 0.00289831/step, 3.45366 hours remaining, 204.289062 MB of memory in use. ENERGY: 710200 731.1241 2092.0475 1962.7214 122.4692 -206382.4038 17759.5520 0.0000 0.0000 34342.5905 -149371.8991 299.9224 -183714.4896 -149269.4196 299.0940 -17.5101 15.3403 558067.2085 2.1367 2.0497 PRESSURE: 710400 -273.663 -35.9094 -144.713 -35.9084 -364.074 -60.1121 -144.712 -60.1097 9.83556 GPRESSURE: 710400 -209.388 -83.7291 -129.927 17.3975 -355.759 -63.4059 -213.271 -25.2045 32.4631 PRESSAVG: 710400 -17.2096 -2.33043 -17.5367 -2.33043 -22.5541 2.32859 -17.5367 2.32852 67.4716 GPRESSAVG: 710400 -16.6468 -1.55065 -18.5259 -0.193956 -22.6854 1.15437 -16.7557 1.51229 67.5771 TIMING: 710400 CPU: 2063.84, 0.00291834/step Wall: 2063.84, 0.00291834/step, 3.47737 hours remaining, 204.289062 MB of memory in use. ENERGY: 710400 768.6058 2081.1609 1962.9604 113.5620 -205977.9399 17560.2228 0.0000 0.0000 34052.1890 -149439.2390 297.3862 -183491.4280 -149341.6191 298.7398 -209.3002 -177.5613 558608.1958 9.2360 9.4150 PRESSURE: 710600 -71.0499 22.005 -81.7971 22.0041 141.439 -63.7166 -81.7966 -63.7173 -173.712 GPRESSURE: 710600 -36.9969 41.1305 -110.75 24.7806 168.236 -62.4094 -83.5866 -84.6425 -138.738 PRESSAVG: 710600 -26.2674 -5.07393 -17.4048 -5.07389 -18.9328 -53.8822 -17.4049 -53.882 52.8684 GPRESSAVG: 710600 -26.4992 -5.92223 -15.7854 -5.86085 -18.7115 -53.4088 -18.578 -52.9982 53.1796 TIMING: 710600 CPU: 2064.42, 0.00291737/step Wall: 2064.42, 0.00291737/step, 3.47605 hours remaining, 204.289062 MB of memory in use. ENERGY: 710600 718.4409 2061.0776 1984.4747 120.0675 -206237.3261 17773.0185 0.0000 0.0000 33963.2659 -149616.9810 296.6096 -183580.2469 -149522.3093 298.5574 -34.4408 -2.4997 557359.1181 2.5561 2.6563 PRESSURE: 710800 -390.806 49.8624 -66.2796 49.8613 125.095 178.617 -66.2798 178.616 -204.901 GPRESSURE: 710800 -368.851 14.7978 -78.7946 77.3796 131.661 175.604 -42.8911 145.626 -130.952 PRESSAVG: 710800 -1.78553 -19.5591 -11.4546 -19.5591 43.0433 -19.7976 -11.4546 -19.7977 -32.5221 GPRESSAVG: 710800 -1.31472 -17.9635 -13.1672 -20.5183 42.1733 -19.931 -11.9902 -21.3978 -32.0132 TIMING: 710800 CPU: 2065, 0.00290715/step Wall: 2065, 0.00290715/step, 3.46371 hours remaining, 204.289062 MB of memory in use. ENERGY: 710800 741.5383 2130.1318 1967.5330 105.3703 -206099.7187 17511.2245 0.0000 0.0000 34116.2659 -149527.6550 297.9458 -183643.9209 -149432.6012 298.5389 -156.8709 -122.7142 557805.5482 2.9119 2.9485 PRESSURE: 711000 -51.9848 43.6671 -94.5419 43.6672 57.9508 10.6644 -94.5423 10.6633 240.873 GPRESSURE: 711000 0.579867 65.7692 -53.2641 -14.2921 61.1104 39.8668 -191.283 10.2639 291.027 PRESSAVG: 711000 -32.922 21.0341 33.967 21.034 12.4737 -8.12712 33.967 -8.12711 -12.6929 GPRESSAVG: 711000 -33.6858 18.5221 35.9621 22.1742 13.0466 -8.91431 33.5671 -7.65654 -12.2808 TIMING: 711000 CPU: 2065.58, 0.00289696/step Wall: 2065.58, 0.00289696/step, 3.4514 hours remaining, 204.289062 MB of memory in use. ENERGY: 711000 763.8010 2075.2427 1969.7961 111.2486 -206780.7911 18099.4332 0.0000 0.0000 34329.0861 -149432.1834 299.8044 -183761.2695 -149330.8253 298.4525 82.2797 117.5724 557944.4062 -11.0471 -10.9733 PRESSURE: 711200 265.785 -47.6898 -132.888 -47.6896 206.735 -53.317 -132.888 -53.3169 84.0964 GPRESSURE: 711200 291.678 -65.7085 -143.759 -47.8436 260.799 -74.6701 -74.3327 -38.638 110.019 PRESSAVG: 711200 15.8023 -28.3389 4.28425 -28.3388 -12.509 -25.7282 4.28437 -25.7283 15.8482 GPRESSAVG: 711200 15.101 -25.629 3.42918 -28.4502 -11.531 -26.459 5.32742 -24.5267 15.4417 TIMING: 711200 CPU: 2066.17, 0.00292609/step Wall: 2066.17, 0.00292609/step, 3.48595 hours remaining, 204.289062 MB of memory in use. ENERGY: 711200 741.7630 2173.5847 1986.8120 130.4711 -207245.5998 18381.1590 0.0000 0.0000 34301.2368 -149530.5732 299.5612 -183831.8100 -149438.8494 298.8731 185.5389 220.8318 557846.3275 6.3805 6.3373 PRESSURE: 711400 14.5683 -144.003 9.65841 -144.004 234.973 -23.9017 9.65845 -23.9011 46.6997 GPRESSURE: 711400 50.1054 -122.717 13.599 -205.383 204.684 41.9111 -24.7595 20.3406 138.265 PRESSAVG: 711400 -58.8745 -3.23789 33.8093 -3.23786 -10.2516 17.7345 33.8094 17.7345 71.4499 GPRESSAVG: 711400 -58.1811 -5.90575 32.9879 -2.74683 -10.9603 17.6925 34.2586 18.6147 71.4627 TIMING: 711400 CPU: 2066.75, 0.00291028/step Wall: 2066.75, 0.00291028/step, 3.46696 hours remaining, 204.289062 MB of memory in use. ENERGY: 711400 753.6245 2123.2340 1970.5785 114.5072 -206482.8500 18002.2296 0.0000 0.0000 34150.3141 -149368.3621 298.2432 -183518.6763 -149271.7724 299.5225 98.7471 131.0181 557415.1801 0.7746 0.7738 PRESSURE: 711600 -206.529 1.17516 -147.817 1.17619 -439.964 -42.8084 -147.818 -42.809 -476.032 GPRESSURE: 711600 -235.12 60.1271 -101.609 57.8211 -350.832 -88.9811 -111.688 -58.9858 -435.653 PRESSAVG: 711600 5.01249 -36.9094 25.4466 -36.9094 -63.336 -15.4091 25.4466 -15.409 95.8099 GPRESSAVG: 711600 4.87438 -36.6935 25.9836 -37.5536 -63.4523 -11.3471 26.3245 -19.2954 96.4813 TIMING: 711600 CPU: 2067.33, 0.00289827/step Wall: 2067.33, 0.00289827/step, 3.45248 hours remaining, 204.289062 MB of memory in use. ENERGY: 711600 747.0302 2080.5297 1977.2434 118.0247 -205785.2988 17326.4828 0.0000 0.0000 34202.8035 -149333.1845 298.7016 -183535.9880 -149235.8265 299.1723 -374.1749 -340.5348 558173.1383 12.4955 12.6345 PRESSURE: 711800 72.2093 37.1266 191.595 37.1264 -17.1429 -78.6179 191.595 -78.618 -128.512 GPRESSURE: 711800 124.099 40.2913 219.24 17.2199 36.88 -77.9115 139.754 -90.9905 -139.044 PRESSAVG: 711800 9.74254 25.5791 37.2513 25.5792 -39.8993 16.6199 37.2513 16.6199 -31.8074 GPRESSAVG: 711800 9.18538 26.8777 37.4014 25.408 -39.0011 12.8248 35.5131 18.7087 -32.3848 TIMING: 711800 CPU: 2067.91, 0.00289225/step Wall: 2067.91, 0.00289225/step, 3.44515 hours remaining, 204.289062 MB of memory in use. ENERGY: 711800 761.9551 2098.9386 1982.9664 122.2039 -206220.9634 17825.1565 0.0000 0.0000 34044.8849 -149384.8580 297.3224 -183429.7429 -149291.5133 298.5982 -24.4819 7.3116 556062.6210 -20.6547 -20.7335 PRESSURE: 712000 381.882 -98.9346 130.12 -98.9339 68.0877 124.7 130.12 124.699 4.5369 GPRESSURE: 712000 450.798 -141.303 158.854 -105.82 89.4798 143.231 134.468 68.537 12.4112 PRESSAVG: 712000 0.248635 -16.0748 -1.33559 -16.0749 -18.5673 29.3611 -1.33564 29.3611 -2.11124 GPRESSAVG: 712000 0.721975 -17.9028 -1.97267 -14.6848 -19.5371 31.1109 -0.328085 28.773 -1.81229 TIMING: 712000 CPU: 2068.49, 0.00289959/step Wall: 2068.49, 0.00289959/step, 3.45373 hours remaining, 204.289062 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: 712000 746.2250 2096.1072 1965.4340 117.5803 -206385.1855 17930.7594 0.0000 0.0000 34332.4334 -149196.6462 299.8337 -183529.0796 -149093.9058 299.4817 151.5020 184.2296 557578.8314 -6.8100 -6.8758 PRESSURE: 712200 -93.3483 14.2054 81.953 14.2045 -18.4561 -60.9671 81.9521 -60.9689 -22.023 GPRESSURE: 712200 -80.7863 59.9745 16.5483 33.0511 -8.64 -63.3587 77.7539 -13.5545 59.7398 PRESSAVG: 712200 11.759 41.2364 -28.3294 41.2363 -6.59786 -30.8906 -28.3294 -30.8907 9.47301 GPRESSAVG: 712200 11.4781 43.2819 -27.8373 38.8032 -5.42993 -33.6877 -28.9135 -29.4928 9.46828 TIMING: 712200 CPU: 2069.06, 0.00288807/step Wall: 2069.06, 0.00288807/step, 3.43985 hours remaining, 204.289062 MB of memory in use. ENERGY: 712200 734.4169 2114.7587 1949.0796 128.5393 -205981.1333 17691.7064 0.0000 0.0000 34339.6895 -149022.9429 299.8970 -183362.6324 -148926.2387 300.1011 -44.6091 -9.8955 558217.2433 4.8780 5.1721 LDB: ============= START OF LOAD BALANCING ============== 2072.53 LDB: ============== END OF LOAD BALANCING =============== 2072.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2072.53 LDB: ============= START OF LOAD BALANCING ============== 2072.82 LDB: Largest compute 4827 load 0.029114 is 24.8% of average load 0.117591 LDB: Average compute 0.001742 is 1.5% of average load 0.117591 LDB: TIME 2072.82 LOAD: AVG 0.117591 MAX 0.177749 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.043 MB LDB: TIME 2072.82 LOAD: AVG 0.117591 MAX 0.177749 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.301 MB LDB: TIME 2072.83 LOAD: AVG 0.117591 MAX 0.177749 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2072.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2072.83 PRESSURE: 712400 -322.36 -83.2843 163.589 -83.2852 -271.94 -98.2741 163.589 -98.2747 -195.664 GPRESSURE: 712400 -269.077 -42.1767 150.737 -90.5421 -238.692 -126.399 170.93 -93.1053 -193.665 PRESSAVG: 712400 18.3892 -6.29506 26.5003 -6.29503 -20.4041 3.87547 26.5002 3.87543 7.33864 GPRESSAVG: 712400 19.0251 -7.68518 24.5365 -5.07873 -20.9403 7.49858 26.85 2.13034 6.91213 TIMING: 712400 CPU: 2069.66, 0.00295431/step Wall: 2069.66, 0.00295431/step, 3.51858 hours remaining, 202.925781 MB of memory in use. ENERGY: 712400 764.9981 2143.7838 1983.4980 112.7194 -205811.5714 17512.3530 0.0000 0.0000 34364.9031 -148929.3159 300.1172 -183294.2190 -148828.3816 300.9525 -263.3215 -233.8113 559186.3949 1.7746 1.6656 PRESSURE: 712600 -140.905 108.473 -31.191 108.473 51.3614 45.5308 -31.1902 45.5314 -119.413 GPRESSURE: 712600 -66.4703 54.0222 -29.7795 137.162 82.2482 94.3538 -67.1404 -14.9972 -103.861 PRESSAVG: 712600 -10.4808 24.3487 -22.8345 24.3487 -20.5198 -3.99949 -22.8345 -3.99942 26.4554 GPRESSAVG: 712600 -10.0362 26.1288 -20.1193 24.5215 -21.1786 -5.58281 -22.9074 -2.37795 26.991 TIMING: 712600 CPU: 2070.24, 0.00290811/step Wall: 2070.24, 0.00290811/step, 3.4634 hours remaining, 203.203125 MB of memory in use. ENERGY: 712600 733.1847 2143.2045 1979.1055 121.0285 -206138.5750 17616.6986 0.0000 0.0000 34446.1128 -149099.2404 300.8265 -183545.3532 -149002.3382 299.4926 -69.6520 -29.3609 557812.6158 -1.5151 -1.4079 PRESSURE: 712800 -109.532 124.446 39.6633 124.446 -146.213 2.16531 39.6624 2.16396 -40.4521 GPRESSURE: 712800 -99.878 145.851 40.9992 48.9146 -117.163 23.8915 60.5008 -23.5412 18.2016 PRESSAVG: 712800 11.0246 9.9539 -5.3258 9.95399 -12.2114 1.47897 -5.32577 1.47896 -37.9897 GPRESSAVG: 712800 10.2253 10.8241 -7.74439 9.71584 -12.3625 0.43974 -5.20904 3.46649 -37.6603 TIMING: 712800 CPU: 2070.82, 0.00292403/step Wall: 2070.82, 0.00292403/step, 3.4822 hours remaining, 203.203125 MB of memory in use. ENERGY: 712800 743.5224 2074.4947 1995.8347 117.7418 -205963.8931 17433.1632 0.0000 0.0000 34477.2968 -149121.8395 301.0988 -183599.1363 -149024.6692 299.6914 -98.7324 -66.2799 556050.3895 -13.0588 -13.2658 PRESSURE: 713000 24.0562 -52.1038 -4.34291 -52.1048 -257.397 -103.976 -4.3437 -103.977 -32.5637 GPRESSURE: 713000 31.4245 -43.4904 7.14123 -3.5899 -249.13 -88.8405 -44.829 -86.7762 40.4751 PRESSAVG: 713000 76.9065 -23.0059 -51.4192 -23.0059 -2.64725 10.2877 -51.4192 10.2876 -11.0883 GPRESSAVG: 713000 77.3311 -22.7306 -50.6684 -21.9974 -2.86163 12.0321 -50.2083 8.07318 -11.1702 TIMING: 713000 CPU: 2071.4, 0.00291457/step Wall: 2071.4, 0.00291457/step, 3.47076 hours remaining, 203.203125 MB of memory in use. ENERGY: 713000 754.2239 2081.8900 1977.2693 114.2349 -205790.8436 17654.4849 0.0000 0.0000 34323.1830 -148885.5576 299.7529 -183208.7406 -148785.9566 299.8737 -88.6349 -59.0769 559325.2564 21.0570 21.0998 PRESSURE: 713200 -446.283 -39.9748 82.0672 -39.9748 -219.415 -44.481 82.0666 -44.481 -363.516 GPRESSURE: 713200 -427.03 -53.6003 13.0185 -31.4883 -161.573 -90.0276 120.472 -33.6902 -332.457 PRESSAVG: 713200 34.7712 -5.72387 3.98685 -5.72395 -54.0207 -14.5322 3.9868 -14.5322 10.0885 GPRESSAVG: 713200 33.2191 -8.94123 5.8075 -5.58607 -52.9564 -15.7726 1.13422 -12.6212 10.9498 TIMING: 713200 CPU: 2071.98, 0.00288357/step Wall: 2071.98, 0.00288357/step, 3.4337 hours remaining, 203.203125 MB of memory in use. ENERGY: 713200 812.9359 2157.6349 1957.6915 103.5948 -205453.7378 17261.1408 0.0000 0.0000 34187.8395 -148972.9005 298.5709 -183160.7400 -148876.2377 299.9256 -343.0713 -307.0197 559048.2079 -3.0536 -2.9292 PRESSURE: 713400 256.012 12.8362 -79.1765 12.8363 215.344 31.783 -79.1761 31.7823 22.2574 GPRESSURE: 713400 291.575 85.2761 -137.379 -39.3029 215.945 -23.3852 12.4583 125.214 85.9334 PRESSAVG: 713400 69.9812 -12.9718 -10.1745 -12.9718 -6.91314 41.1835 -10.1745 41.1837 -59.2814 GPRESSAVG: 713400 71.5572 -11.8231 -10.9728 -13.9225 -6.74506 40.836 -8.3796 39.2239 -60.5412 TIMING: 713400 CPU: 2072.56, 0.00291243/step Wall: 2072.56, 0.00291243/step, 3.46789 hours remaining, 203.203125 MB of memory in use. ENERGY: 713400 691.3476 2090.5020 1980.4199 107.2003 -206605.2667 18065.2267 0.0000 0.0000 34605.2192 -149065.3510 302.2160 -183670.5702 -148963.9096 300.0135 164.5379 197.8178 556731.1780 1.2622 1.4236 PRESSURE: 713600 41.3115 -209.543 9.27376 -209.542 39.6039 111.077 9.27404 111.077 178.548 GPRESSURE: 713600 39.8323 -216.182 -22.5328 -220.364 179.868 74.9669 -24.7261 19.5154 128.801 PRESSAVG: 713600 27.777 14.9996 32.6099 14.9996 9.4752 53.7379 32.6099 53.7378 7.98693 GPRESSAVG: 713600 26.5273 14.6918 33.2222 15.6009 10.8472 54.6113 30.1525 52.444 7.39296 TIMING: 713600 CPU: 2073.14, 0.00290282/step Wall: 2073.14, 0.00290282/step, 3.45629 hours remaining, 203.203125 MB of memory in use. ENERGY: 713600 742.6387 2051.7708 1968.8377 126.8661 -206270.5274 17945.2503 0.0000 0.0000 34388.9008 -149046.2630 300.3268 -183435.1638 -148947.8437 299.5650 86.4878 116.1671 556325.7252 15.0797 14.9225 PRESSURE: 713800 -208.454 84.6288 -2.14859 84.6299 -47.1554 -74.0497 -2.14824 -74.0507 -29.8628 GPRESSURE: 713800 -120.593 26.1237 -44.3343 176.54 -64.2269 41.7711 -9.59336 -150.413 1.89444 PRESSAVG: 713800 -30.9291 -44.714 -41.0246 -44.714 24.6008 -18.3719 -41.0245 -18.3718 6.57494 GPRESSAVG: 713800 -29.4196 -42.954 -42.078 -45.0515 21.9357 -17.8652 -39.3084 -16.8829 7.79135 TIMING: 713800 CPU: 2073.73, 0.0029269/step Wall: 2073.73, 0.0029269/step, 3.4848 hours remaining, 203.203125 MB of memory in use. ENERGY: 713800 781.5796 2123.4412 1942.4795 116.5664 -206251.9360 17745.4303 0.0000 0.0000 34301.0003 -149241.4388 299.5592 -183542.4391 -149143.0448 299.3721 -95.1574 -60.9752 557684.3075 0.0822 0.1025 PRESSURE: 714000 -197.788 -21.1864 196.421 -21.1866 7.77929 -51.2906 196.422 -51.2901 -147.209 GPRESSURE: 714000 -187.071 35.0655 139.838 -93.8511 36.3528 1.95296 162.106 -72.0321 -92.5368 PRESSAVG: 714000 -41.3502 0.301397 -19.5683 0.301223 41.7811 34.3443 -19.5683 34.3443 -6.29921 GPRESSAVG: 714000 -41.2817 -2.204 -19.9397 0.0306534 42.0676 32.7205 -18.6672 33.0364 -6.49155 TIMING: 714000 CPU: 2074.31, 0.002918/step Wall: 2074.31, 0.002918/step, 3.47404 hours remaining, 203.203125 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: 714000 760.8669 2169.5707 1988.5596 111.8478 -206092.5865 17608.7152 0.0000 0.0000 34371.4847 -149081.5417 300.1747 -183453.0264 -148985.9158 299.1767 -112.4060 -81.0849 557343.2455 -1.9561 -1.9019 PRESSURE: 714200 -287.217 26.5145 28.8739 26.5142 -104.566 160.892 28.8741 160.891 -161.881 GPRESSURE: 714200 -204.152 33.9817 46.8982 -45.0103 -105.432 179.415 127.716 153.643 -137.903 PRESSAVG: 714200 -6.94178 4.70845 33.3915 4.70837 -28.5697 41.0528 33.3916 41.0528 69.8728 GPRESSAVG: 714200 -7.3944 5.3742 34.8393 4.75334 -27.6617 42.6073 33.033 41.9778 70.424 TIMING: 714200 CPU: 2074.89, 0.00289859/step Wall: 2074.89, 0.00289859/step, 3.45077 hours remaining, 203.203125 MB of memory in use. ENERGY: 714200 779.5617 2100.3592 1990.3847 124.8951 -206054.2688 17653.9605 0.0000 0.0000 34316.0760 -149089.0315 299.6908 -183405.1075 -148988.4200 299.7435 -184.5546 -149.1623 558832.3583 11.4538 11.7893 PRESSURE: 714400 445.022 153.59 72.3632 153.589 280.078 2.55989 72.3619 2.56053 100.104 GPRESSURE: 714400 434.677 218.456 88.662 112.273 254.311 84.8542 -25.4599 -48.9824 227.867 PRESSAVG: 714400 18.2129 26.5725 23.5562 26.5725 -9.42576 -24.2054 23.5563 -24.2054 65.7283 GPRESSAVG: 714400 17.5301 28.4405 22.9556 26.317 -8.82051 -24.6103 21.4484 -26.0165 66.6808 TIMING: 714400 CPU: 2075.47, 0.00288287/step Wall: 2075.47, 0.00288287/step, 3.4319 hours remaining, 203.203125 MB of memory in use. ENERGY: 714400 737.9269 2143.4455 1977.5138 106.6413 -206381.0435 18101.0333 0.0000 0.0000 34281.7521 -149032.7305 299.3911 -183314.4827 -148924.9351 299.8224 275.0681 305.6182 556751.1810 24.8385 25.1301 PRESSURE: 714600 -200.395 152.948 1.713 152.946 -123.62 -133.715 1.71258 -133.714 138.709 GPRESSURE: 714600 -199.552 154.256 -2.67281 167.731 -86.4423 -137.4 26.8037 -120.532 196.363 PRESSAVG: 714600 -1.67545 41.9642 50.8622 41.9642 59.2827 -43.4511 50.8621 -43.4511 -84.5145 GPRESSAVG: 714600 -1.00234 41.1046 50.8502 43.2282 58.6405 -45.3371 51.4094 -42.8034 -84.6647 TIMING: 714600 CPU: 2076.05, 0.00289655/step Wall: 2076.05, 0.00289655/step, 3.44802 hours remaining, 203.203125 MB of memory in use. ENERGY: 714600 752.1977 2091.4227 1974.6734 113.6111 -206034.6843 17777.6689 0.0000 0.0000 34244.4943 -149080.6162 299.0657 -183325.1105 -148989.8982 299.5886 -61.7688 -29.8774 557563.8314 -8.9691 -9.0088 PRESSURE: 714800 92.3227 -115.627 63.7726 -115.627 -100.597 -64.2636 63.7726 -64.2625 -285.944 GPRESSURE: 714800 101.817 -134.758 41.0272 -123.124 -118.132 -140.155 67.8806 -6.673 -190.494 PRESSAVG: 714800 -1.65177 25.2969 37.2953 25.2969 -16.3097 -34.2609 37.2953 -34.261 -8.34727 GPRESSAVG: 714800 -3.53962 23.7657 36.4289 25.2313 -14.9291 -35.3922 37.0263 -31.8648 -8.07222 TIMING: 714800 CPU: 2076.63, 0.00289241/step Wall: 2076.63, 0.00289241/step, 3.44293 hours remaining, 203.203125 MB of memory in use. ENERGY: 714800 766.9287 2126.9267 1936.1623 101.6312 -205930.3301 17690.4589 0.0000 0.0000 34203.8970 -149104.3253 298.7111 -183308.2223 -149006.7397 299.5367 -98.0729 -68.9363 558667.4730 -8.7696 -8.8470 PRESSURE: 715000 -67.5497 30.4481 -117.101 30.447 -350.293 59.1176 -117.101 59.1161 -57.1779 GPRESSURE: 715000 -24.9068 95.6934 1.77027 15.173 -322.148 69.1401 -181.903 111.483 -27.3111 PRESSAVG: 715000 37.3033 -7.67078 0.185056 -7.67074 21.239 -11.715 0.185111 -11.7151 21.9445 GPRESSAVG: 715000 39.205 -6.05405 0.009901 -8.09553 20.4286 -9.72844 1.35182 -13.4899 20.9689 TIMING: 715000 CPU: 2077.2, 0.00288023/step Wall: 2077.2, 0.00288023/step, 3.42827 hours remaining, 203.203125 MB of memory in use. ENERGY: 715000 732.5797 2116.2750 1973.7860 115.1753 -206070.3726 17575.3446 0.0000 0.0000 34415.7467 -149141.4653 300.5613 -183557.2120 -149041.0006 299.8650 -158.3403 -124.7887 557292.1968 26.8289 26.8675 PRESSURE: 715200 136.674 67.5602 112.127 67.5601 -172.459 -110.691 112.127 -110.691 -201.783 GPRESSURE: 715200 120.955 -23.2652 10.4503 115.198 -121.476 -123.975 177.652 -76.2269 -148.653 PRESSAVG: 715200 65.4453 29.0358 -15.3286 29.0358 -37.77 -21.3217 -15.3286 -21.3217 4.3099 GPRESSAVG: 715200 65.0687 30.014 -15.5358 28.1115 -35.9808 -22.0941 -15.8816 -22.9043 3.4037 TIMING: 715200 CPU: 2077.78, 0.0028941/step Wall: 2077.78, 0.0028941/step, 3.44463 hours remaining, 203.203125 MB of memory in use. ENERGY: 715200 731.3044 2094.8762 1992.0417 133.0991 -205678.2441 17397.8296 0.0000 0.0000 34286.4360 -149042.6569 299.4320 -183329.0930 -148949.0669 299.3668 -79.1891 -49.7247 556700.4695 10.6617 10.8305 PRESSURE: 715400 250.947 102.435 -133.682 102.436 -17.8727 77.8833 -133.682 77.8842 87.6786 GPRESSURE: 715400 319.622 159.442 -88.4252 1.46943 -6.52169 76.6779 -103.597 121.012 94.8543 PRESSAVG: 715400 56.6693 14.7012 -10.7967 14.7012 -59.7873 -48.5037 -10.7967 -48.5036 -18.7123 GPRESSAVG: 715400 56.4514 15.9374 -11.4223 13.6944 -61.8234 -47.0637 -12.218 -47.9164 -16.8927 TIMING: 715400 CPU: 2078.36, 0.00287354/step Wall: 2078.36, 0.00287354/step, 3.41999 hours remaining, 203.203125 MB of memory in use. ENERGY: 715400 736.7628 2098.2335 1986.8827 112.9960 -206193.2003 17825.2214 0.0000 0.0000 34209.3019 -149223.8020 298.7583 -183433.1039 -149126.5893 299.0589 106.9176 135.9848 558283.3826 -7.2767 -7.4216 PRESSURE: 715600 -85.0883 129.857 -24.5074 129.859 103.395 51.1645 -24.5071 51.1659 18.7768 GPRESSURE: 715600 -46.0902 39.8584 -145.567 227.982 125.367 49.2464 -43.4052 53.8462 52.5456 PRESSAVG: 715600 7.8021 -2.75082 8.02792 -2.75086 -67.2061 -52.4812 8.02794 -52.4812 83.4001 GPRESSAVG: 715600 8.83884 -4.34589 8.54475 -3.28199 -67.6069 -51.3946 8.64909 -54.3816 82.897 TIMING: 715600 CPU: 2078.93, 0.00286012/step Wall: 2078.93, 0.00286012/step, 3.40386 hours remaining, 203.203125 MB of memory in use. ENERGY: 715600 771.1336 2102.1415 2020.8727 114.8229 -206487.0735 17954.5368 0.0000 0.0000 34258.1444 -149265.4216 299.1849 -183523.5659 -149170.9555 298.8804 12.3611 43.9407 556989.7581 7.9987 8.0430 PRESSURE: 715800 80.7587 -43.953 -4.22171 -43.9528 -288.959 -64.8678 -4.22249 -64.8675 -193.412 GPRESSURE: 715800 60.822 -112.244 18.7289 -80.2855 -229.222 12.0371 40.8333 -113.789 -148.768 PRESSAVG: 715800 -0.370736 10.1191 -41.2858 10.1191 -42.7799 21.9929 -41.2858 21.9929 15.4513 GPRESSAVG: 715800 -2.24955 11.6006 -40.9072 10.7712 -41.2618 20.9159 -40.7448 22.6082 15.6725 TIMING: 715800 CPU: 2079.5, 0.00285946/step Wall: 2079.5, 0.00285946/step, 3.40292 hours remaining, 203.203125 MB of memory in use. ENERGY: 715800 752.3472 2096.4351 1969.2243 116.9194 -206030.0988 17522.8409 0.0000 0.0000 34405.2401 -149167.0918 300.4695 -183572.3319 -149069.3421 299.0290 -133.8707 -105.7226 557071.2074 -9.2331 -9.2796 PRESSURE: 716000 -28.8933 -84.0995 -63.6959 -84.1002 -402.169 -276.205 -63.6961 -276.205 -320.783 GPRESSURE: 716000 45.1443 -155.139 -39.6966 -81.1887 -420.424 -299.476 -54.2752 -230.33 -266.075 PRESSAVG: 716000 34.8528 15.6723 -30.1778 15.6722 -24.7103 -1.89954 -30.1778 -1.89959 26.8729 GPRESSAVG: 716000 36.1901 14.5753 -29.914 16.0276 -24.501 -1.67495 -30.6971 -2.56511 25.8239 TIMING: 716000 CPU: 2080.08, 0.00287427/step Wall: 2080.08, 0.00287427/step, 3.42038 hours remaining, 203.203125 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: 716000 772.1687 2147.5271 1972.3218 118.6999 -205718.2135 17401.4172 0.0000 0.0000 34275.6068 -149030.4720 299.3374 -183306.0788 -148931.7766 299.4171 -250.6151 -213.7850 556561.2116 12.3384 12.5044 PRESSURE: 716200 87.4505 -40.1056 -153.172 -40.1054 -43.1595 -81.7822 -153.172 -81.7832 427.546 GPRESSURE: 716200 143.679 -37.2964 -125.606 -26.2411 -10.5957 -148.648 -129.521 -30.2876 427.345 PRESSAVG: 716200 46.1556 -27.1355 19.9797 -27.1355 -81.1273 -6.40239 19.9796 -6.40241 8.32423 GPRESSAVG: 716200 46.0371 -25.9072 20.1255 -27.2129 -83.0157 -5.92493 20.9659 -3.71526 9.88857 TIMING: 716200 CPU: 2080.65, 0.00287211/step Wall: 2080.65, 0.00287211/step, 3.41765 hours remaining, 203.203125 MB of memory in use. ENERGY: 716200 738.6514 2156.4018 1969.1415 120.3959 -206359.5794 17980.3242 0.0000 0.0000 34344.5244 -149050.1402 299.9393 -183394.6646 -148954.4791 299.9693 157.2791 186.8093 556146.2854 -8.8825 -9.0300 LDB: ============= START OF LOAD BALANCING ============== 2084.11 LDB: ============== END OF LOAD BALANCING =============== 2084.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2084.11 LDB: ============= START OF LOAD BALANCING ============== 2084.4 LDB: Largest compute 4827 load 0.028688 is 24.4% of average load 0.117623 LDB: Average compute 0.001742 is 1.5% of average load 0.117623 LDB: TIME 2084.4 LOAD: AVG 0.117623 MAX 0.177003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.773 MB LDB: TIME 2084.4 LOAD: AVG 0.117623 MAX 0.177003 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.02 MB LDB: TIME 2084.41 LOAD: AVG 0.117623 MAX 0.177003 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2084.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2084.41 PRESSURE: 716400 66.5376 70.6612 94.1241 70.662 186.946 -21.2834 94.1256 -21.2834 215.593 GPRESSURE: 716400 65.111 102.347 117.326 -27.0662 154.985 -46.1518 103.281 17.4702 336.351 PRESSAVG: 716400 33.7556 -18.7772 -26.6467 -18.7772 -9.58822 24.7415 -26.6468 24.7414 29.3772 GPRESSAVG: 716400 33.3491 -18.6451 -26.0837 -19.3053 -8.80643 24.1993 -27.6749 24.4831 28.8367 TIMING: 716400 CPU: 2081.24, 0.00292673/step Wall: 2081.24, 0.00292673/step, 3.48248 hours remaining, 204.207031 MB of memory in use. ENERGY: 716400 755.3542 2093.6137 1975.7112 119.1022 -206341.0689 18019.1852 0.0000 0.0000 34276.0394 -149102.0630 299.3412 -183378.1025 -149011.0354 299.4891 156.3591 185.4826 556693.8037 17.8482 17.7931 PRESSURE: 716600 110.7 -94.0044 121.016 -94.0053 -228.017 -73.5488 121.017 -73.5513 44.0835 GPRESSURE: 716600 152.848 -131.632 111.258 -71.2969 -190.601 -61.5391 187.26 -71.6827 62.0906 PRESSAVG: 716600 18.1274 -39.61 8.11783 -39.61 -37.4096 -28.1783 8.11785 -28.1784 48.1838 GPRESSAVG: 716600 18.4812 -39.5169 8.71406 -39.9756 -37.8864 -29.9606 7.09133 -27.5167 47.5781 TIMING: 716600 CPU: 2081.82, 0.00290002/step Wall: 2081.82, 0.00290002/step, 3.45054 hours remaining, 204.730469 MB of memory in use. ENERGY: 716600 741.9515 2122.9105 1976.7309 109.2476 -205888.5414 17594.6813 0.0000 0.0000 34260.8296 -149082.1900 299.2083 -183343.0197 -148986.9548 299.8712 -24.4112 8.1125 557955.4342 9.6338 9.3910 PRESSURE: 716800 67.3203 -19.5661 -2.98748 -19.566 -99.1622 27.5796 -2.98731 27.5776 -314.523 GPRESSURE: 716800 106.599 -53.6631 5.68103 77.2715 -85.9056 98.6486 -126.359 -2.13915 -269.074 PRESSAVG: 716800 -65.7036 -46.2329 -33.8933 -46.233 -17.3543 -88.7968 -33.8932 -88.797 54.4429 GPRESSAVG: 716800 -65.2916 -46.1428 -35.2822 -44.9932 -17.2564 -87.5019 -33.7955 -87.7849 53.8673 TIMING: 716800 CPU: 2082.39, 0.00289174/step Wall: 2082.39, 0.00289174/step, 3.44053 hours remaining, 204.730469 MB of memory in use. ENERGY: 716800 734.3499 2050.4050 1978.0327 113.2576 -205744.7453 17591.8401 0.0000 0.0000 34095.2278 -149181.6321 297.7621 -183276.8599 -149081.6428 299.4766 -115.4548 -82.7934 558225.9616 -9.5383 -9.5602 PRESSURE: 717000 -330.484 -25.2115 -49.6294 -25.2113 -226.125 106.16 -49.6279 106.163 -18.5142 GPRESSURE: 717000 -309.297 -12.0259 -13.1211 -148.532 -181.432 107.546 16.1186 185.187 24.5758 PRESSAVG: 717000 -24.5441 -8.75187 -20.501 -8.7519 2.16852 -40.3138 -20.501 -40.3138 -18.8096 GPRESSAVG: 717000 -25.592 -10.2763 -20.8616 -7.95323 3.0699 -37.6162 -17.2311 -42.8431 -18.8703 TIMING: 717000 CPU: 2082.97, 0.00288051/step Wall: 2082.97, 0.00288051/step, 3.42701 hours remaining, 204.789062 MB of memory in use. ENERGY: 717000 747.8659 2132.2395 1957.6803 119.4137 -205839.2980 17577.1537 0.0000 0.0000 34228.7058 -149076.2391 298.9278 -183304.9449 -148984.2381 299.1957 -191.7076 -155.3846 558516.3260 -13.7284 -13.7974 PRESSURE: 717200 -8.285 -139.948 -85.2989 -139.947 39.3803 -19.4309 -85.2978 -19.4305 44.0219 GPRESSURE: 717200 4.74994 -225.665 -111.594 -85.3638 51.4076 -28.0696 -92.7893 -59.663 118.359 PRESSAVG: 717200 -39.9232 14.5006 -46.5278 14.5007 -22.9644 -24.331 -46.5277 -24.3311 41.4105 GPRESSAVG: 717200 -39.3988 15.745 -46.086 14.6349 -23.7926 -27.8733 -46.9634 -22.1469 41.7272 TIMING: 717200 CPU: 2083.55, 0.00288635/step Wall: 2083.55, 0.00288635/step, 3.4338 hours remaining, 204.789062 MB of memory in use. ENERGY: 717200 738.4377 2137.1678 2003.0370 113.2885 -206168.5258 17763.3999 0.0000 0.0000 34237.6249 -149175.5700 299.0057 -183413.1949 -149074.7296 299.5212 25.0391 58.1724 557657.5929 -7.1590 -7.1547 PRESSURE: 717400 2.39871 123.206 -95.8422 123.207 7.33391 54.6018 -95.8429 54.6017 -77.149 GPRESSURE: 717400 55.2808 185.214 -59.7023 124.426 39.5983 47.3268 -65.6795 40.8501 -64.8205 PRESSAVG: 717400 14.7308 -34.8051 -3.50949 -34.8051 -26.8838 13.7326 -3.50957 13.7327 10.8443 GPRESSAVG: 717400 14.7374 -36.1954 -2.91747 -32.677 -26.5217 15.6056 -6.77303 11.1648 11.1048 TIMING: 717400 CPU: 2084.12, 0.00287511/step Wall: 2084.12, 0.00287511/step, 3.42026 hours remaining, 204.789062 MB of memory in use. ENERGY: 717400 741.1755 2178.6186 1991.6509 101.4007 -205992.7896 17833.0804 0.0000 0.0000 34194.4959 -148952.3677 298.6290 -183146.8636 -148850.2506 299.7834 -22.4721 10.0196 558759.7941 -0.4363 -0.2265 PRESSURE: 717600 -192.241 -23.0389 68.9796 -23.0385 -87.1834 -41.778 68.9801 -41.7778 -131.104 GPRESSURE: 717600 -152.767 -46.9806 -29.9642 -8.41345 -116.46 37.7053 109.118 -45.3252 -43.862 PRESSAVG: 717600 -12.4872 -25.6079 11.9494 -25.6079 -16.6937 8.87267 11.9494 8.87257 31.9156 GPRESSAVG: 717600 -11.7878 -27.4996 9.58694 -27.562 -16.313 6.62376 15.7172 12.4606 31.3415 TIMING: 717600 CPU: 2084.7, 0.00287598/step Wall: 2084.7, 0.00287597/step, 3.42113 hours remaining, 204.789062 MB of memory in use. ENERGY: 717600 798.8149 2060.1961 2004.8346 110.6691 -205962.3511 17687.5270 0.0000 0.0000 34153.6075 -149146.7018 298.2719 -183300.3093 -149047.5155 299.1798 -136.8430 -104.3631 558184.5499 0.9116 1.0802 PRESSURE: 717800 21.7845 -157.793 43.7954 -157.793 -321.957 6.36662 43.7958 6.36656 -67.7683 GPRESSURE: 717800 79.4412 -150.045 99.3273 -89.1444 -281.579 86.6206 37.7818 1.27446 -80.4003 PRESSAVG: 717800 34.8505 -13.0287 5.49172 -13.0288 -77.5323 -2.64675 5.49169 -2.64696 44.8992 GPRESSAVG: 717800 34.4758 -10.0782 9.09381 -13.96 -76.5658 0.0622413 4.26428 -6.28233 44.5359 TIMING: 717800 CPU: 2085.27, 0.00288405/step Wall: 2085.27, 0.00288405/step, 3.43057 hours remaining, 204.789062 MB of memory in use. ENERGY: 717800 747.9593 2106.0004 2013.5759 130.3596 -206131.6272 17668.7633 0.0000 0.0000 34384.7780 -149080.1907 300.2908 -183464.9687 -148984.2303 299.7592 -122.6470 -94.1795 557955.7274 0.7391 0.8153 PRESSURE: 718000 -73.5463 10.8277 66.017 10.8273 -2.23351 -96.8584 66.0153 -96.8575 -269.927 GPRESSURE: 718000 -32.1644 66.7582 -27.6664 -92.4347 17.8842 -83.4365 116.226 -87.0878 -237.427 PRESSAVG: 718000 13.6507 -14.0138 63.3172 -14.0139 11.2446 -23.8832 63.3173 -23.8831 -9.77384 GPRESSAVG: 718000 11.8434 -14.1742 62.5601 -14.7636 10.3018 -24.5223 62.1775 -22.1245 -6.79755 TIMING: 718000 CPU: 2085.85, 0.00288319/step Wall: 2085.85, 0.00288319/step, 3.42939 hours remaining, 204.789062 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: 718000 754.8453 2063.0383 1989.5335 120.9592 -205880.8682 17662.0951 0.0000 0.0000 34155.6855 -149134.7111 298.2901 -183290.3966 -149029.2330 299.8538 -115.2354 -83.9023 558376.3202 5.0405 5.1159 PRESSURE: 718200 -142.129 -24.5186 59.3986 -24.5162 184.143 20.6177 59.3991 20.617 228.405 GPRESSURE: 718200 -138.262 -21.3246 33.5953 -47.6135 198.87 40.1126 98.5843 19.0623 310.714 PRESSAVG: 718200 7.10986 -22.9383 30.1133 -22.9383 24.4187 -32.3518 30.1133 -32.352 -5.14361 GPRESSAVG: 718200 8.5442 -23.428 29.3891 -22.7082 24.1506 -33.228 32.6276 -34.0572 -6.55627 TIMING: 718200 CPU: 2086.43, 0.00289732/step Wall: 2086.43, 0.00289732/step, 3.44605 hours remaining, 204.789062 MB of memory in use. ENERGY: 718200 765.3059 2079.8721 2009.6356 117.6424 -206301.9912 18003.3837 0.0000 0.0000 34297.6143 -149028.5372 299.5296 -183326.1514 -148933.0852 299.1534 90.1398 123.7742 558706.9053 8.7950 8.7128 PRESSURE: 718400 -88.2173 179.858 -63.1963 179.858 -47.1746 -62.0215 -63.1951 -62.0215 26.6944 GPRESSURE: 718400 -21.4506 168.357 -153.736 164.767 31.6194 -45.3449 -72.1329 -109.574 -25.8259 PRESSAVG: 718400 3.04784 1.41173 7.61658 1.41165 -13.2971 17.1728 7.61652 17.1726 37.6565 GPRESSAVG: 718400 1.54964 2.23498 7.48688 0.997225 -11.8066 16.4028 6.33755 18.5167 38.1267 TIMING: 718400 CPU: 2087.01, 0.00288871/step Wall: 2087.01, 0.00288871/step, 3.43564 hours remaining, 204.789062 MB of memory in use. ENERGY: 718400 754.4263 2086.2458 1997.1099 111.2719 -205713.5214 17673.0168 0.0000 0.0000 34254.6653 -148836.7854 299.1545 -183091.4508 -148737.1910 299.6906 -36.2325 -5.2190 559953.1653 9.1358 9.2899 PRESSURE: 718600 71.2501 161.713 -39.4593 161.714 -127.911 -13.5044 -39.4604 -13.5037 74.7307 GPRESSURE: 718600 108.588 144.768 24.0973 93.8415 -47.796 -60.2293 -24.6839 -10.7799 40.8422 PRESSAVG: 718600 -26.9702 -2.86979 9.12337 -2.86979 28.3677 27.605 9.12335 27.6049 -15.3025 GPRESSAVG: 718600 -26.2287 -2.04736 10.4453 -2.52188 27.4251 28.819 9.72957 28.9692 -16.2192 TIMING: 718600 CPU: 2087.59, 0.0029045/step Wall: 2087.59, 0.0029045/step, 3.45426 hours remaining, 204.789062 MB of memory in use. ENERGY: 718600 730.7928 2072.8249 1966.1522 119.3437 -205995.1625 17824.2817 0.0000 0.0000 34332.0451 -148949.7222 299.8303 -183281.7673 -148850.6470 300.5912 6.0232 33.8781 561100.1689 -4.6350 -5.0076 PRESSURE: 718800 88.5076 85.6018 210 85.6018 -56.3897 -51.334 210.001 -51.334 160.567 GPRESSURE: 718800 117.222 40.3622 135.515 80.1226 -0.210868 91.7635 199.399 -131.46 168.805 PRESSAVG: 718800 24.1059 12.1198 67.3136 12.1198 -31.7763 -47.3904 67.3136 -47.3903 48.6391 GPRESSAVG: 718800 23.4654 10.947 66.4773 13.1513 -30.1901 -48.3806 66.6202 -47.4559 48.1743 TIMING: 718800 CPU: 2088.17, 0.00291234/step Wall: 2088.17, 0.00291234/step, 3.46342 hours remaining, 204.968750 MB of memory in use. ENERGY: 718800 706.2500 2146.7764 1983.0468 130.3189 -206260.9162 17941.8140 0.0000 0.0000 34370.7251 -148981.9849 300.1681 -183352.7100 -148876.2238 299.8516 64.2282 95.2720 559715.1367 13.6562 13.8165 PRESSURE: 719000 198.304 -123.432 -9.42405 -123.433 -70.9268 -13.9249 -9.42388 -13.9257 -55.0041 GPRESSURE: 719000 267.579 -108.4 27.7276 -133.355 -55.244 7.4066 32.6131 27.6284 -39.8865 PRESSAVG: 719000 21.5178 -7.06025 51.6539 -7.06023 -83.3626 -13.783 51.654 -13.7831 45.2089 GPRESSAVG: 719000 22.962 -6.87045 54.1834 -8.54153 -85.2923 -12.7541 52.2116 -15.3137 45.5726 TIMING: 719000 CPU: 2088.75, 0.00291386/step Wall: 2088.75, 0.00291386/step, 3.46507 hours remaining, 204.968750 MB of memory in use. ENERGY: 719000 775.3698 2052.5146 1966.9450 128.3946 -206312.5967 17966.2387 0.0000 0.0000 34325.6394 -149097.4947 299.7743 -183423.1341 -149001.8317 299.1714 24.1242 57.4827 558339.6159 -5.5453 -5.5859 PRESSURE: 719200 168.228 150.851 -98.7838 150.851 -231.229 -83.6632 -98.7839 -83.6629 155.302 GPRESSURE: 719200 152.179 166.617 -29.237 124.784 -203.716 -50.6545 -139.218 -100.183 232.869 PRESSAVG: 719200 58.582 -19.176 -3.96828 -19.176 -71.7629 -37.5696 -3.96834 -37.5697 49.9817 GPRESSAVG: 719200 58.814 -18.2245 -5.48314 -17.9466 -71.3259 -38.2403 -3.48162 -37.4784 48.8533 TIMING: 719200 CPU: 2089.33, 0.00289608/step Wall: 2089.33, 0.00289608/step, 3.44377 hours remaining, 204.968750 MB of memory in use. ENERGY: 719200 801.0101 2092.6815 1975.8992 111.9960 -206156.1333 17850.3774 0.0000 0.0000 34495.8689 -148828.3002 301.2610 -183324.1692 -148727.8786 300.2220 30.7670 60.4443 557688.1250 12.2669 12.1138 PRESSURE: 719400 16.9751 145.75 -2.4749 145.75 -386.487 -74.1668 -2.47329 -74.1663 128.731 GPRESSURE: 719400 43.9865 112.828 -45.7539 182.538 -305.268 -61.7646 -40.9933 -128.764 117.662 PRESSAVG: 719400 -33.7908 -3.60867 7.78519 -3.60861 18.2207 -81.9944 7.78525 -81.9942 2.54407 GPRESSAVG: 719400 -35.472 -3.12389 7.95985 -4.08053 18.4652 -82.5427 8.08129 -81.9705 3.33762 TIMING: 719400 CPU: 2089.91, 0.00289932/step Wall: 2089.91, 0.00289932/step, 3.44746 hours remaining, 204.968750 MB of memory in use. ENERGY: 719400 739.0464 2118.7186 2010.0663 114.7007 -205424.0411 17510.9676 0.0000 0.0000 34303.6181 -148626.9233 299.5820 -182930.5414 -148526.4615 300.1076 -80.2605 -47.8733 558096.6301 -4.3420 -4.5564 PRESSURE: 719600 174.951 5.52407 -195.273 5.52499 79.7991 -64.043 -195.272 -64.0437 227.477 GPRESSURE: 719600 187.679 42.6473 -186.255 -12.7989 95.6972 28.0216 -165.563 -66.6317 300.39 PRESSAVG: 719600 29.464 -11.7123 24.7951 -11.7122 -56.3313 -29.9816 24.7952 -29.9816 6.47789 GPRESSAVG: 719600 29.6566 -11.9643 24.1488 -12.4777 -56.7839 -28.7005 23.0348 -30.2656 6.62312 TIMING: 719600 CPU: 2090.49, 0.00288281/step Wall: 2090.49, 0.00288281/step, 3.42766 hours remaining, 204.968750 MB of memory in use. ENERGY: 719600 732.8137 2107.0591 1983.4002 118.7678 -205770.6301 17862.0634 0.0000 0.0000 34491.7914 -148474.7344 301.2254 -182966.5259 -148379.9659 300.8449 160.7424 194.5889 556933.7917 -6.7965 -6.8347 PRESSURE: 719800 166.806 -172.428 -236.787 -172.428 51.3523 168.703 -236.788 168.703 58.758 GPRESSURE: 719800 248.781 -153.803 -274.692 -280.083 77.6714 204.578 -235.879 135.388 44.9639 PRESSAVG: 719800 10.8684 -43.9216 -4.20264 -43.9216 -21.5845 -17.9204 -4.20269 -17.9205 46.0262 GPRESSAVG: 719800 12.2215 -46.6489 -4.19589 -44.0008 -21.6998 -18.5406 -4.28725 -17.2261 45.241 TIMING: 719800 CPU: 2091.07, 0.00288521/step Wall: 2091.07, 0.00288521/step, 3.43036 hours remaining, 204.968750 MB of memory in use. ENERGY: 719800 768.9278 2125.8726 1977.2704 112.3156 -205968.2993 17952.4636 0.0000 0.0000 34476.2520 -148555.1973 301.0897 -183031.4493 -148464.1208 301.6790 92.3054 123.8053 557627.4217 11.7700 11.9209 PRESSURE: 720000 -39.0732 -34.8012 -51.9229 -34.8016 -13.5936 -40.2291 -51.9238 -40.2273 -277.206 GPRESSURE: 720000 12.0394 -91.7733 -13.5051 -29.0583 -19.6727 -82.7508 -25.2512 -41.0104 -221.667 PRESSAVG: 720000 47.2046 -28.9578 -23.8598 -28.9578 -31.0507 -2.23504 -23.8599 -2.23511 -13.9244 GPRESSAVG: 720000 47.1037 -28.9941 -23.3022 -27.6052 -32.436 -2.43771 -21.6858 -3.18848 -12.6338 TIMING: 720000 CPU: 2091.64, 0.00288539/step Wall: 2091.64, 0.00288539/step, 3.43041 hours remaining, 204.968750 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: 720000 786.0446 2102.1209 1977.1154 117.1458 -205813.5736 17725.9857 0.0000 0.0000 34522.2860 -148582.8752 301.4917 -183105.1611 -148480.0911 300.5527 -109.9575 -76.4336 558737.8647 0.7432 0.6780 PRESSURE: 720200 135.295 110.52 -72.6921 110.521 265.703 153.537 -72.6918 153.537 56.0057 GPRESSURE: 720200 179.928 82.0423 -7.52917 54.3749 342.949 141.156 -85.9135 136.075 42.091 PRESSAVG: 720200 -22.611 2.48195 -30.4734 2.482 15.9179 -10.6619 -30.4734 -10.6619 48.1739 GPRESSAVG: 720200 -23.1208 3.03839 -29.8697 2.0906 17.5289 -11.7544 -32.8767 -10.1617 47.3937 TIMING: 720200 CPU: 2092.22, 0.00286924/step Wall: 2092.22, 0.00286924/step, 3.41104 hours remaining, 204.968750 MB of memory in use. ENERGY: 720200 744.3417 2097.5745 1976.0293 129.1586 -205940.5637 17919.3082 0.0000 0.0000 34455.9635 -148618.1879 300.9125 -183074.1513 -148520.2545 300.7799 152.3344 188.3228 556551.1483 13.8269 13.9339 LDB: ============= START OF LOAD BALANCING ============== 2095.68 LDB: ============== END OF LOAD BALANCING =============== 2095.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2095.68 LDB: ============= START OF LOAD BALANCING ============== 2095.98 LDB: Largest compute 4827 load 0.030064 is 25.6% of average load 0.117478 LDB: Average compute 0.001744 is 1.5% of average load 0.117478 LDB: TIME 2095.98 LOAD: AVG 0.117478 MAX 0.175976 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.621 MB LDB: TIME 2095.98 LOAD: AVG 0.117478 MAX 0.175976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.656 MB LDB: TIME 2095.98 LOAD: AVG 0.117478 MAX 0.175976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2095.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2095.99 PRESSURE: 720400 117.829 134.391 199.174 134.39 -68.2961 119.948 199.175 119.949 57.0348 GPRESSURE: 720400 113.514 58.9819 287.598 205.755 -48.2779 56.4099 143.477 28.5967 132.051 PRESSAVG: 720400 45.6944 40.9615 1.98245 40.9615 -15.3809 28.3462 1.98239 28.3462 -8.98697 GPRESSAVG: 720400 46.0447 39.7387 4.88501 43.5533 -16.1439 29.1159 1.35079 28.7877 -8.18404 TIMING: 720400 CPU: 2092.81, 0.00296009/step Wall: 2092.81, 0.00296009/step, 3.51889 hours remaining, 205.257812 MB of memory in use. ENERGY: 720400 731.3854 2129.1198 1980.3590 113.7270 -205570.2647 17589.5266 0.0000 0.0000 34478.0857 -148548.0613 301.1057 -183026.1471 -148446.7579 300.8037 35.5225 65.7624 558092.4584 7.1088 7.2389 PRESSURE: 720600 43.3525 -149.987 37.8182 -149.987 186.643 -69.7625 37.8182 -69.7623 -204.801 GPRESSURE: 720600 141.004 -217.237 21.5753 -150.246 158.076 -68.6843 31.5795 -123.211 -185.168 PRESSAVG: 720600 10.4928 -10.0706 -17.8114 -10.0707 3.30534 -5.79895 -17.8116 -5.79892 -1.64453 GPRESSAVG: 720600 11.0438 -9.9826 -20.6843 -11.385 3.48008 -6.00417 -15.1348 -7.609 -2.64804 TIMING: 720600 CPU: 2093.39, 0.0029087/step Wall: 2093.39, 0.0029087/step, 3.45763 hours remaining, 205.746094 MB of memory in use. ENERGY: 720600 688.3020 2073.2095 1996.1831 111.4215 -205658.1864 17625.0416 0.0000 0.0000 34576.0524 -148587.9763 301.9613 -183164.0287 -148481.4748 301.1634 8.3984 37.9706 558781.8574 4.0512 3.9586 PRESSURE: 720800 -378.143 35.3057 -185.093 35.3067 -308.11 121.31 -185.092 121.311 -241.842 GPRESSURE: 720800 -408.821 -2.61861 -175.783 -2.0318 -218.958 94.799 -166.357 127.197 -208.591 PRESSAVG: 720800 -23.8287 -67.0859 -30.8571 -67.0859 71.0166 49.1897 -30.8571 49.1897 -42.9398 GPRESSAVG: 720800 -24.3588 -66.9556 -30.0712 -68.0272 71.166 47.6745 -30.916 51.1747 -42.8933 TIMING: 720800 CPU: 2093.97, 0.00291312/step Wall: 2093.97, 0.00291312/step, 3.46273 hours remaining, 205.804688 MB of memory in use. ENERGY: 720800 736.0006 2082.2784 1990.3008 115.5469 -205037.3897 17183.9226 0.0000 0.0000 34328.0950 -148601.2453 299.7958 -182929.3403 -148501.1342 301.1679 -309.3649 -278.7899 559656.6426 1.4160 1.3046 PRESSURE: 721000 -231.795 87.1377 -78.2125 87.1388 -265.445 -69.0894 -78.2127 -69.0891 -507.654 GPRESSURE: 721000 -209.294 2.21805 -47.7377 63.7994 -234.602 -43.5527 -58.643 -59.6363 -466.16 PRESSAVG: 721000 -15.97 -22.8315 -48.708 -22.8315 12.456 45.7048 -48.7081 45.7048 -55.9247 GPRESSAVG: 721000 -16.8297 -21.6097 -50.8956 -22.6201 12.719 47.4445 -49.9117 44.5895 -55.6643 TIMING: 721000 CPU: 2094.56, 0.00291577/step Wall: 2094.56, 0.00291577/step, 3.46572 hours remaining, 205.804688 MB of memory in use. ENERGY: 721000 722.4923 2051.3348 2010.9300 114.3699 -204991.9802 17182.5316 0.0000 0.0000 34159.6312 -148750.6905 298.3246 -182910.3216 -148654.2035 300.6129 -334.9644 -303.3521 558608.8784 -19.8129 -19.9250 PRESSURE: 721200 -136.507 4.76484 -34.4389 4.76389 57.8814 -94.8944 -34.438 -94.895 153.253 GPRESSURE: 721200 -76.6567 -0.593531 -81.3326 -82.5049 84.2374 -128.197 -16.5337 -112.129 162.408 PRESSAVG: 721200 -7.08807 -25.603 4.0742 -25.603 10.2194 17.4345 4.07412 17.4345 2.67486 GPRESSAVG: 721200 -6.77435 -25.3655 4.1942 -25.6674 9.52185 15.696 2.70581 17.4219 2.75846 TIMING: 721200 CPU: 2095.14, 0.0029213/step Wall: 2095.14, 0.0029213/step, 3.47213 hours remaining, 205.804688 MB of memory in use. ENERGY: 721200 740.2421 2048.5914 1966.8817 105.6752 -205587.2286 17513.6074 0.0000 0.0000 34391.8841 -148820.3466 300.3529 -183212.2307 -148729.4083 300.2122 24.8760 56.6631 556278.5910 1.9354 1.8353 PRESSURE: 721400 -2.62684 -62.9261 76.9879 -62.9258 -363.49 59.0424 76.988 59.0423 -279.266 GPRESSURE: 721400 -21.1426 -36.1339 93.8014 -35.8303 -293.962 27.5905 39.1871 13.1384 -232.495 PRESSAVG: 721400 -8.73735 -21.7348 -7.75976 -21.7347 -30.2723 -27.7734 -7.7598 -27.7733 33.9712 GPRESSAVG: 721400 -8.79782 -21.561 -7.85326 -20.5276 -29.6883 -24.3007 -7.09502 -27.5621 33.0775 TIMING: 721400 CPU: 2095.73, 0.0029283/step Wall: 2095.73, 0.0029283/step, 3.48029 hours remaining, 205.804688 MB of memory in use. ENERGY: 721400 796.3168 2031.1283 1963.8283 113.8481 -205606.1397 17389.9679 0.0000 0.0000 34437.8095 -148873.2408 300.7540 -183311.0503 -148778.4175 300.2300 -215.1275 -182.5330 557381.6949 -1.6795 -1.8029 PRESSURE: 721600 -132.835 148.743 -80.5775 148.743 -113.573 16.9464 -80.5775 16.9454 155.993 GPRESSURE: 721600 -111.307 151.454 -121.36 98.9786 -64.005 -45.9198 -94.3686 13.3235 180.762 PRESSAVG: 721600 9.34804 46.9719 4.92794 46.9718 -100.474 27.0052 4.92786 27.0052 45.1699 GPRESSAVG: 721600 7.68361 46.5416 6.97943 44.8913 -100.367 25.5143 4.21705 27.2853 46.6794 TIMING: 721600 CPU: 2096.31, 0.00292197/step Wall: 2096.31, 0.00292197/step, 3.47259 hours remaining, 205.804688 MB of memory in use. ENERGY: 721600 746.1151 2109.0588 1984.9788 108.4353 -206019.8934 17595.1800 0.0000 0.0000 34466.3896 -149009.7358 301.0036 -183476.1255 -148915.3276 299.6141 -30.1384 1.8164 557375.0736 -15.3187 -15.3347 PRESSURE: 721800 142.027 82.6459 10.2638 82.645 171.375 68.7397 10.2638 68.7407 208.799 GPRESSURE: 721800 231.264 68.7005 -38.0539 117.739 133.021 62.1325 14.3347 89.8612 249.678 PRESSAVG: 721800 -14.2894 57.0004 -36.8281 57.0003 -39.9077 -13.4795 -36.8281 -13.4794 28.6157 GPRESSAVG: 721800 -12.8206 56.5236 -38.7628 56.7554 -39.3364 -15.0255 -35.3109 -13.2773 27.0097 TIMING: 721800 CPU: 2096.89, 0.00290123/step Wall: 2096.89, 0.00290123/step, 3.44779 hours remaining, 205.804688 MB of memory in use. ENERGY: 721800 705.0795 2088.2080 1968.2929 128.9338 -206069.8419 17938.5903 0.0000 0.0000 34358.9233 -148881.8141 300.0650 -183240.7373 -148787.7219 299.9473 174.0669 204.6543 557481.9878 -8.5272 -8.3824 PRESSURE: 722000 117.956 -105.062 -24.3009 -105.061 95.8093 89.1704 -24.3011 89.1713 -1.02262 GPRESSURE: 722000 148.963 -85.9407 0.690842 -76.7927 149.297 -10.0932 -55.0962 128.446 21.0004 PRESSAVG: 722000 21.4283 -7.59414 -4.73337 -7.59407 -34.6733 28.6464 -4.73339 28.6465 15.6156 GPRESSAVG: 722000 23.6319 -6.42814 -1.68595 -5.31707 -36.1649 28.0112 -6.34245 28.6835 15.3753 TIMING: 722000 CPU: 2097.47, 0.00291257/step Wall: 2097.47, 0.00291257/step, 3.46111 hours remaining, 205.804688 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: 722000 760.4554 2042.1698 1982.6665 104.9011 -206456.5170 18085.4978 0.0000 0.0000 34414.5453 -149066.2812 300.5508 -183480.8265 -148970.3032 299.9583 70.9144 106.4203 557451.5586 0.7902 0.9475 PRESSURE: 722200 -30.1628 -13.6374 -57.9736 -13.6371 -30.6619 67.1323 -57.9726 67.1323 86.6436 GPRESSURE: 722200 -11.0316 54.3544 -53.8674 -99.9125 20.1702 17.7881 -12.5524 72.4122 105.127 PRESSAVG: 722200 -71.5589 -20.5979 20.6262 -20.5979 43.8432 -47.4979 20.6263 -47.4979 37.2653 GPRESSAVG: 722200 -73.0052 -18.0111 17.6415 -22.6575 44.6559 -46.003 23.2467 -49.559 37.844 TIMING: 722200 CPU: 2098.06, 0.00294068/step Wall: 2098.06, 0.00294068/step, 3.49435 hours remaining, 205.804688 MB of memory in use. ENERGY: 722200 686.3223 2112.6757 1991.1489 126.6368 -206226.4425 17826.2857 0.0000 0.0000 34330.4701 -149152.9029 299.8165 -183483.3730 -149061.1480 299.3358 8.6063 38.0886 557725.1353 3.1832 3.1649 PRESSURE: 722400 -257.223 -31.7229 -90.7313 -31.7214 -153.901 -113.357 -90.7315 -113.359 -64.3932 GPRESSURE: 722400 -171.357 -12.573 -100.427 59.7762 -156.716 -23.2779 -106.132 -148.894 -45.1677 PRESSAVG: 722400 -3.83184 51.0593 -10.4635 51.0593 -82.3566 -28.8371 -10.4636 -28.8371 90.818 GPRESSAVG: 722400 -3.02111 50.0855 -10.4338 51.584 -82.5017 -29.4887 -11.6298 -28.2125 90.8495 TIMING: 722400 CPU: 2098.64, 0.00290775/step Wall: 2098.64, 0.00290775/step, 3.45505 hours remaining, 205.816406 MB of memory in use. ENERGY: 722400 745.9421 2099.2209 1963.1075 105.2522 -205685.9008 17503.8946 0.0000 0.0000 34123.2773 -149145.2063 298.0071 -183268.4837 -149052.2396 299.1500 -158.5057 -124.4135 556949.4416 1.5432 1.7755 PRESSURE: 722600 -5.83921 252.516 -168.364 252.517 78.3565 262.814 -168.363 262.814 221.021 GPRESSURE: 722600 14.1133 214.927 -209.492 242.649 154.396 251.654 -157.264 200.743 215.711 PRESSAVG: 722600 90.4739 62.1039 -38.0994 62.104 -33.7735 7.51492 -38.0994 7.51484 -29.8641 GPRESSAVG: 722600 90.3233 60.1547 -35.3512 62.0463 -34.1992 7.064 -39.7538 7.71251 -29.0999 TIMING: 722600 CPU: 2099.22, 0.00289874/step Wall: 2099.22, 0.00289874/step, 3.44418 hours remaining, 205.816406 MB of memory in use. ENERGY: 722600 734.5685 2056.2549 1986.6677 120.8998 -206550.5763 18015.7138 0.0000 0.0000 34462.2514 -149174.2202 300.9674 -183636.4716 -149074.8626 299.0754 97.8460 128.0734 556782.7353 8.9454 9.0081 PRESSURE: 722800 159.046 36.7453 49.519 36.7459 142.567 -81.5811 49.5181 -81.5805 63.7024 GPRESSURE: 722800 178.797 54.7009 34.0669 140.229 192.084 -73.2603 14.0853 -79.7678 89.9436 PRESSAVG: 722800 87.598 26.0969 -0.467024 26.097 -48.7167 0.437212 -0.466952 0.437271 -65.706 GPRESSAVG: 722800 86.8845 27.7972 -2.94048 25.3411 -48.0219 0.769573 1.95155 0.342135 -65.0439 TIMING: 722800 CPU: 2099.8, 0.00288778/step Wall: 2099.8, 0.00288778/step, 3.431 hours remaining, 205.816406 MB of memory in use. ENERGY: 722800 731.4544 2060.2630 1987.5996 112.9819 -206521.0091 17925.6141 0.0000 0.0000 34310.3157 -149392.7804 299.6405 -183703.0961 -149291.5155 298.6447 121.7720 153.6085 555113.5744 -8.9415 -8.7271 PRESSURE: 723000 194.638 208.498 76.2266 208.499 198.335 117.966 76.2269 117.965 116.819 GPRESSURE: 723000 265.146 236.304 -62.2463 228.095 197.767 127.321 142.539 106.069 138.202 PRESSAVG: 723000 84.8786 36.8158 5.10378 36.8158 -2.05824 -12.1409 5.10374 -12.1409 -26.7133 GPRESSAVG: 723000 85.3231 36.5508 5.74478 37.4683 -2.25179 -13.1033 5.49804 -11.221 -27.3222 TIMING: 723000 CPU: 2100.38, 0.00289165/step Wall: 2100.38, 0.00289165/step, 3.43545 hours remaining, 205.816406 MB of memory in use. ENERGY: 723000 724.1188 2126.0410 1965.5274 102.9173 -206346.7363 17929.6722 0.0000 0.0000 34236.4401 -149262.0197 298.9953 -183498.4597 -149171.6623 299.4594 169.9303 200.3716 556188.2845 18.7023 18.5830 PRESSURE: 723200 -284.473 -53.3492 -91.1987 -53.3485 -244.387 55.4399 -91.1998 55.4395 -200.528 GPRESSURE: 723200 -306.125 76.7812 -80.2743 -135.008 -156.913 101.593 -159.717 94.1246 -175.629 PRESSAVG: 723200 7.1386 49.8289 35.9132 49.8288 10.285 5.2091 35.9132 5.20909 -27.2549 GPRESSAVG: 723200 6.41483 50.4175 36.141 50.8383 10.4677 6.32364 33.0231 3.19809 -27.0857 TIMING: 723200 CPU: 2100.96, 0.00291609/step Wall: 2100.96, 0.00291609/step, 3.46431 hours remaining, 205.816406 MB of memory in use. ENERGY: 723200 728.8904 2093.3490 1992.6028 109.1339 -205650.0127 17362.0499 0.0000 0.0000 34225.9314 -149138.0553 298.9036 -183363.9867 -149044.6914 298.8003 -243.1292 -212.8891 558970.7304 -3.2771 -3.4010 PRESSURE: 723400 -98.4994 100.214 185.131 100.214 -221.572 -55.7218 185.13 -55.7215 -69.4994 GPRESSURE: 723400 -52.6101 133.004 177.351 119.346 -190.709 -41.6238 181.033 -80.7452 -47.7289 PRESSAVG: 723400 -23.6362 -35.4233 11.4925 -35.4233 23.3917 29.3751 11.4926 29.3752 -10.9259 GPRESSAVG: 723400 -22.9866 -38.6848 12.3875 -34.2824 22.7125 29.2793 12.1878 29.3142 -10.9994 TIMING: 723400 CPU: 2101.54, 0.0028993/step Wall: 2101.54, 0.0028993/step, 3.4442 hours remaining, 205.816406 MB of memory in use. ENERGY: 723400 731.9507 2024.2393 1974.4849 103.8431 -205978.0667 17629.4918 0.0000 0.0000 34209.5713 -149304.4856 298.7607 -183514.0569 -149203.7349 299.3926 -129.8571 -97.0161 558274.7350 -3.7235 -3.7578 PRESSURE: 723600 -8.36849 -11.4578 87.2156 -11.4576 -17.6203 -106.262 87.2157 -106.262 -12.8574 GPRESSURE: 723600 -0.386228 -27.0017 40.3682 33.9813 55.9386 -86.1674 96.0037 -114.303 -0.827369 PRESSAVG: 723600 45.8922 19.5981 21.6868 19.5981 22.2995 70.4569 21.6868 70.4569 -82.4511 GPRESSAVG: 723600 45.0589 23.4437 21.6632 18.4619 22.2328 70.8787 21.1656 71.8581 -81.9195 TIMING: 723600 CPU: 2102.12, 0.00289111/step Wall: 2102.12, 0.00289111/step, 3.43432 hours remaining, 205.816406 MB of memory in use. ENERGY: 723600 718.3821 2096.7383 1986.6488 111.9613 -205963.1157 17754.4516 0.0000 0.0000 34166.2040 -149128.7297 298.3820 -183294.9337 -149028.2383 298.7649 -12.9487 18.2417 557772.9107 -4.7531 -4.8759 PRESSURE: 723800 -223.204 -52.0234 86.477 -52.0235 -118.567 221.181 86.4783 221.181 -264.689 GPRESSURE: 723800 -88.6319 -31.4727 8.41103 1.68907 -174.765 285.365 87.1708 131.124 -245.284 PRESSAVG: 723800 -2.82232 -51.8731 20.775 -51.8732 -60.4954 27.9178 20.775 27.9177 30.5533 GPRESSAVG: 723800 -1.76844 -54.068 18.8664 -52.2973 -60.3369 28.9795 22.2532 26.5736 29.2691 TIMING: 723800 CPU: 2102.71, 0.00293649/step Wall: 2102.71, 0.00293649/step, 3.48806 hours remaining, 205.816406 MB of memory in use. ENERGY: 723800 765.2213 2070.5589 2018.6898 115.2581 -205767.7909 17524.6047 0.0000 0.0000 34137.7361 -149135.7221 298.1333 -183273.4582 -149047.6862 299.0843 -202.1535 -169.5602 557498.1789 -10.9215 -10.9454 PRESSURE: 724000 -69.1109 62.7427 23.137 62.7439 36.1467 1.40373 23.1371 1.40369 -395.453 GPRESSURE: 724000 -58.1672 127.697 139.793 66.1067 40.02 16.8708 -61.3285 6.24951 -325.829 PRESSAVG: 724000 10.5869 -57.4157 -49.6625 -57.4157 15.0731 39.5108 -49.6626 39.5108 -24.8094 GPRESSAVG: 724000 9.61766 -59.2373 -48.2373 -54.6695 14.1885 37.6358 -50.6275 40.6036 -23.1675 TIMING: 724000 CPU: 2103.29, 0.00290256/step Wall: 2103.29, 0.00290256/step, 3.44759 hours remaining, 205.816406 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: 724000 762.4031 2075.7953 1952.5694 122.0739 -206284.8351 17557.8794 0.0000 0.0000 34611.6698 -149202.4442 302.2723 -183814.1140 -149099.9019 300.1969 -142.8058 -114.6589 556652.3849 0.2835 0.2129 PRESSURE: 724200 -120.107 -38.2681 -101.008 -38.2666 51.3643 -133.292 -101.009 -133.293 14.3463 GPRESSURE: 724200 -14.6734 -42.1069 -143.718 35.0309 -11.6346 -138.923 -103.538 -201.132 72.5299 PRESSAVG: 724200 30.1097 -0.111848 39.7047 -0.111821 16.6359 10.7792 39.7047 10.7793 -71.3815 GPRESSAVG: 724200 30.9651 2.67076 40.9012 -1.4657 17.3653 11.3683 39.5053 9.3065 -72.5164 TIMING: 724200 CPU: 2103.87, 0.00288787/step Wall: 2103.87, 0.00288787/step, 3.42998 hours remaining, 205.816406 MB of memory in use. ENERGY: 724200 790.0270 2070.5319 2007.2308 108.1744 -206259.0076 17854.0628 0.0000 0.0000 34180.0922 -149248.8886 298.5032 -183428.9807 -149155.9791 299.6346 -18.1321 15.4073 557391.7071 -8.2120 -8.0620 LDB: ============= START OF LOAD BALANCING ============== 2107.33 LDB: ============== END OF LOAD BALANCING =============== 2107.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2107.33 LDB: ============= START OF LOAD BALANCING ============== 2107.62 LDB: Largest compute 4827 load 0.030158 is 25.7% of average load 0.117541 LDB: Average compute 0.001744 is 1.5% of average load 0.117541 LDB: TIME 2107.63 LOAD: AVG 0.117541 MAX 0.179671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 2107.63 LOAD: AVG 0.117541 MAX 0.179671 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 2107.63 LOAD: AVG 0.117541 MAX 0.179671 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 2107.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2107.63 PRESSURE: 724400 -149.323 94.5709 100.225 94.5717 -86.4765 22.6119 100.225 22.6113 13.8654 GPRESSURE: 724400 -91.6191 156.189 55.1052 63.421 -77.1469 -13.5203 121.979 22.0743 41.1698 PRESSAVG: 724400 4.34513 -14.1042 -41.3092 -14.1042 45.457 -75.8621 -41.3093 -75.862 -91.1472 GPRESSAVG: 724400 3.59934 -14.8991 -41.1836 -13.7327 44.3687 -77.391 -40.0266 -73.5 -89.5001 TIMING: 724400 CPU: 2104.46, 0.00295776/step Wall: 2104.46, 0.00295776/step, 3.51283 hours remaining, 204.707031 MB of memory in use. ENERGY: 724400 743.5214 2126.8002 1989.1164 112.9753 -206050.7945 17717.6468 0.0000 0.0000 34188.9075 -149171.8270 298.5802 -183360.7344 -149070.0308 298.7943 -73.9779 -42.5321 557502.5071 -13.7817 -13.8440 PRESSURE: 724600 151.453 -74.4724 -44.1065 -74.472 60.064 75.2484 -44.1059 75.2479 89.6075 GPRESSURE: 724600 165.053 -95.7783 -7.61067 -71.6599 26.2529 78.9315 -96.6701 -31.4594 206.903 PRESSAVG: 724600 18.8102 -30.4863 -22.5032 -30.4863 -11.8904 2.98424 -22.5032 2.9842 37.6496 GPRESSAVG: 724600 19.535 -31.999 -23.219 -30.8034 -10.4618 3.94527 -23.7689 3.20276 35.5203 TIMING: 724600 CPU: 2105.04, 0.00290752/step Wall: 2105.04, 0.00290752/step, 3.453 hours remaining, 204.980469 MB of memory in use. ENERGY: 724600 774.0267 2092.8532 1978.9981 115.2205 -206328.9209 17976.5416 0.0000 0.0000 34196.3026 -149194.9782 298.6448 -183391.2808 -149097.1907 299.7893 100.3747 132.7361 557393.0108 14.8565 14.8645 PRESSURE: 724800 -56.954 111.318 64.9453 111.318 94.3345 -186.891 64.9461 -186.89 19.1875 GPRESSURE: 724800 -64.1253 93.2926 120.337 81.2034 163.903 -203.884 -53.3931 -118.897 44.2948 PRESSAVG: 724800 27.4435 -32.5645 -19.5106 -32.5644 -39.8943 45.9886 -19.5105 45.9886 2.45551 GPRESSAVG: 724800 27.3694 -31.4712 -20.6676 -31.7182 -41.2106 44.5485 -17.0859 45.5545 2.94402 TIMING: 724800 CPU: 2105.62, 0.00292276/step Wall: 2105.62, 0.00292276/step, 3.47093 hours remaining, 204.980469 MB of memory in use. ENERGY: 724800 749.8015 2097.6631 1988.1329 107.5730 -206383.6019 18014.1774 0.0000 0.0000 34206.9345 -149219.3197 298.7377 -183426.2541 -149121.7349 299.7218 18.8560 48.0243 556708.2630 -3.3318 -3.6324 PRESSURE: 725000 179.749 -112.802 53.0639 -112.803 237.868 19.3186 53.0636 19.3176 -177.752 GPRESSURE: 725000 206.145 -153.705 -6.67908 -135.363 270.078 84.6815 124.929 35.9143 -145.587 PRESSAVG: 725000 12.7842 -19.0294 32.5829 -19.0294 -13.8221 36.1154 32.5829 36.1156 -0.144593 GPRESSAVG: 725000 11.3483 -16.8622 33.7379 -18.3556 -13.2405 37.1811 30.9187 36.9944 0.021922 TIMING: 725000 CPU: 2106.21, 0.00290873/step Wall: 2106.21, 0.00290873/step, 3.45411 hours remaining, 205.183594 MB of memory in use. ENERGY: 725000 737.0137 2084.6764 1959.2633 121.0317 -206260.4463 17856.1621 0.0000 0.0000 34251.0307 -149251.2684 299.1228 -183502.2991 -149157.8492 299.6558 79.9546 110.2122 557208.0763 -0.3942 -0.6234 PRESSURE: 725200 -252.616 -117.301 50.6589 -117.301 97.4291 101.849 50.6593 101.849 -16.0711 GPRESSURE: 725200 -191.923 -59.702 81.4835 -154.133 121.607 79.2581 -44.9294 91.0667 0.396482 PRESSAVG: 725200 -48.834 13.3551 -3.82894 13.3551 73.1089 12.0318 -3.82899 12.0319 -32.4978 GPRESSAVG: 725200 -49.0807 12.0278 -3.52507 12.4325 73.1633 12.7241 -5.26405 11.7091 -32.9587 TIMING: 725200 CPU: 2106.79, 0.00291501/step Wall: 2106.79, 0.00291501/step, 3.46141 hours remaining, 205.183594 MB of memory in use. ENERGY: 725200 764.1992 2121.6633 1972.6379 114.5426 -205836.0530 17472.1824 0.0000 0.0000 34178.7153 -149212.1124 298.4912 -183390.8277 -149122.9980 299.3512 -57.0860 -23.3065 556801.7810 -2.7409 -2.9587 PRESSURE: 725400 150.37 51.462 -133.868 51.4612 100.88 -126.388 -133.868 -126.388 52.9009 GPRESSURE: 725400 181.558 104.948 -106.345 -14.2596 134.409 -60.5673 -72.0253 -189.611 82.954 PRESSAVG: 725400 -38.0585 -43.5973 16.1386 -43.5972 92.8558 -31.2969 16.1386 -31.2969 -44.8453 GPRESSAVG: 725400 -37.505 -44.8198 17.7267 -42.1255 92.8821 -29.695 15.4567 -34.0176 -45.6715 TIMING: 725400 CPU: 2107.37, 0.00289163/step Wall: 2107.37, 0.00289163/step, 3.43349 hours remaining, 205.183594 MB of memory in use. ENERGY: 725400 753.7571 2079.8476 2009.6230 108.6279 -206203.3825 18013.2433 0.0000 0.0000 34144.6271 -149093.6565 298.1935 -183238.2836 -149000.8877 298.6966 101.3835 132.9738 556854.7247 3.3173 3.2352 PRESSURE: 725600 7.72034 42.7588 166.832 42.7589 -149.657 -112.152 166.832 -112.152 77.5754 GPRESSURE: 725600 89.9237 28.2627 153.896 5.76971 -148.21 -94.1345 113.694 -164.735 79.9798 PRESSAVG: 725600 -6.2088 12.0532 33.3284 12.0531 25.8824 30.3405 33.3284 30.3404 -29.8123 GPRESSAVG: 725600 -7.91726 13.1688 32.1476 9.9593 25.1474 29.3419 34.8064 32.1572 -27.6049 TIMING: 725600 CPU: 2107.95, 0.00288784/step Wall: 2107.95, 0.00288784/step, 3.42883 hours remaining, 205.183594 MB of memory in use. ENERGY: 725600 750.9169 2077.9098 1953.4964 113.3712 -206081.0134 17870.9566 0.0000 0.0000 34344.0395 -148970.3230 299.9350 -183314.3625 -148874.7134 299.3140 -21.4539 7.2312 557787.0697 -3.3796 -3.4582 PRESSURE: 725800 153.265 115.233 75.8462 115.234 216.353 203.608 75.848 203.606 123.102 GPRESSURE: 725800 158.198 110.637 3.85545 49.968 291.711 153.345 76.7822 175.035 142.036 PRESSAVG: 725800 -41.3221 50.5298 -36.9063 50.5297 52.7685 54.4842 -36.9061 54.4842 -21.1441 GPRESSAVG: 725800 -40.7837 50.3662 -35.2157 50.5751 53.2764 55.5736 -37.3673 55.1708 -22.1044 TIMING: 725800 CPU: 2108.52, 0.00288579/step Wall: 2108.52, 0.00288579/step, 3.42623 hours remaining, 205.183594 MB of memory in use. ENERGY: 725800 745.6465 2144.5280 1946.8769 110.6613 -206306.1310 18032.2657 0.0000 0.0000 34211.4106 -149114.7420 298.7768 -183326.1525 -149024.9295 299.2454 164.2399 197.3150 558104.0106 -3.2326 -3.2039 PRESSURE: 726000 98.3207 3.37044 -7.50937 3.37104 49.7871 5.67559 -7.50791 5.67634 -138.146 GPRESSURE: 726000 123.429 46.0763 -75.7622 -75.0836 99.3847 -27.3139 30.0165 -62.134 -104.014 PRESSAVG: 726000 -19.5141 23.4768 -43.6817 23.4768 -8.86541 34.9667 -43.6818 34.9668 30.2197 GPRESSAVG: 726000 -18.3557 23.0409 -44.3791 23.8426 -10.2937 33.0015 -43.297 34.4413 30.0205 TIMING: 726000 CPU: 2109.1, 0.00289745/step Wall: 2109.1, 0.00289745/step, 3.43992 hours remaining, 205.183594 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: 726000 734.2359 2125.1933 1975.3380 101.6558 -206447.3927 18121.9572 0.0000 0.0000 34255.0537 -149133.9588 299.1579 -183389.0125 -149040.4684 299.6167 3.3207 39.5999 558704.0133 0.6134 0.4571 PRESSURE: 726200 -366.745 10.1111 27.797 10.1097 -37.7509 -258.33 27.7961 -258.33 -288.935 GPRESSURE: 726200 -332.146 -115.773 2.24738 7.94044 -52.0086 -192.052 77.3748 -326.793 -215.832 PRESSAVG: 726200 17.3595 40.0969 -0.190584 40.097 100.097 -15.2523 -0.190555 -15.2525 -71.9253 GPRESSAVG: 726200 16.6266 38.947 -0.986981 40.976 101.435 -13.5654 0.0091453 -14.64 -72.4877 TIMING: 726200 CPU: 2109.68, 0.00289885/step Wall: 2109.68, 0.00289885/step, 3.44142 hours remaining, 205.183594 MB of memory in use. ENERGY: 726200 713.9645 2124.1550 1987.9145 121.0379 -205409.7867 17284.3085 0.0000 0.0000 34053.3087 -149125.0976 297.3960 -183178.4063 -149031.7816 299.9627 -231.1435 -199.9956 559069.9384 15.1770 15.1914 PRESSURE: 726400 0.766472 44.0264 30.4602 44.0264 -117.067 157.795 30.4592 157.793 -20.6095 GPRESSURE: 726400 1.19503 12.9689 -33.8179 102.362 -122.889 87.5626 70.4343 220.518 76.2638 PRESSAVG: 726400 1.62243 24.4831 -48.4901 24.4832 16.8375 6.51487 -48.4901 6.51478 -13.3503 GPRESSAVG: 726400 1.61155 24.2815 -51.3752 23.8808 16.9307 6.2182 -44.349 5.71358 -12.9403 TIMING: 726400 CPU: 2110.27, 0.00292599/step Wall: 2110.27, 0.00292599/step, 3.47347 hours remaining, 205.183594 MB of memory in use. ENERGY: 726400 760.7317 2133.3169 1954.5605 121.3510 -206458.0954 17956.7720 0.0000 0.0000 34350.4785 -149180.8847 299.9913 -183531.3633 -149081.0523 299.9311 -45.6367 -15.1433 558065.6680 1.7032 1.8673 PRESSURE: 726600 318.184 -55.6502 -97.6256 -55.6503 66.809 -30.2866 -97.6249 -30.2872 281.739 GPRESSURE: 726600 325.028 -36.552 -91.249 -19.2935 133.565 -46.0867 -135.692 -47.2232 296.782 PRESSAVG: 726600 -6.78275 21.4015 -27.286 21.4016 38.5194 -19.8102 -27.2859 -19.8101 2.8799 GPRESSAVG: 726600 -6.9243 23.7728 -26.5595 21.5742 38.8404 -17.9625 -29.1632 -18.6791 2.61341 TIMING: 726600 CPU: 2110.85, 0.00291002/step Wall: 2110.85, 0.00291002/step, 3.45435 hours remaining, 205.183594 MB of memory in use. ENERGY: 726600 748.6694 2082.6834 1985.3174 126.8152 -206714.8368 18227.6289 0.0000 0.0000 34267.0136 -149276.7088 299.2624 -183543.7224 -149177.0417 299.8339 222.2439 251.7919 557440.6983 11.5388 11.5098 PRESSURE: 726800 135.529 56.5703 -25.7299 56.5716 97.6145 -69.6652 -25.7279 -69.6664 -12.4703 GPRESSURE: 726800 159.166 0.763584 -41.2247 70.0634 97.7951 -46.6659 -42.0795 -53.9424 46.9881 PRESSAVG: 726800 -3.08722 -18.0681 -41.5316 -18.0681 27.5014 21.2781 -41.5316 21.2779 -11.0145 GPRESSAVG: 726800 -2.86595 -17.4162 -40.3158 -19.0755 27.2435 20.5345 -41.7341 20.8509 -11.0328 TIMING: 726800 CPU: 2111.43, 0.00291722/step Wall: 2111.43, 0.00291722/step, 3.46274 hours remaining, 205.183594 MB of memory in use. ENERGY: 726800 745.0950 2151.4038 1986.1272 113.9377 -206589.6037 18107.2388 0.0000 0.0000 34255.7465 -149230.0547 299.1640 -183485.8012 -149128.9197 299.1875 73.5578 101.3165 558296.0174 4.4665 4.4483 PRESSURE: 727000 70.8935 -39.5402 -22.9905 -39.5387 102.403 28.3797 -22.9912 28.3787 127.455 GPRESSURE: 727000 39.0424 9.27143 -25.2283 -40.9104 223.481 28.2278 -44.7993 7.83141 144.968 PRESSAVG: 727000 -16.6949 -45.1961 3.88845 -45.196 -4.48987 -14.5897 3.88844 -14.5896 37.6753 GPRESSAVG: 727000 -15.4762 -44.0893 4.88335 -45.8191 -5.3109 -15.1232 3.65596 -14.3468 37.3253 TIMING: 727000 CPU: 2112.01, 0.00289028/step Wall: 2112.01, 0.00289028/step, 3.4306 hours remaining, 205.183594 MB of memory in use. ENERGY: 727000 688.4062 2123.1639 1960.1546 115.8682 -206512.2985 17935.9558 0.0000 0.0000 34579.4075 -149109.3424 301.9906 -183688.7499 -149002.3480 299.7779 100.2504 135.8306 557311.9565 5.4968 5.5127 PRESSURE: 727200 -7.23254 -0.269079 -86.2968 -0.269845 63.8656 -5.30489 -86.2981 -5.30541 61.7045 GPRESSURE: 727200 -0.0779005 50.5505 -112.242 46.3128 98.4507 -113.512 -53.5807 63.8885 111.234 PRESSAVG: 727200 -36.9145 15.1301 4.69201 15.1301 15.4155 8.45208 4.69196 8.4522 -4.8991 GPRESSAVG: 727200 -39.3643 12.1382 5.44859 15.4641 15.862 7.51583 3.42714 6.882 -2.75755 TIMING: 727200 CPU: 2112.59, 0.00291164/step Wall: 2112.59, 0.00291164/step, 3.45579 hours remaining, 205.183594 MB of memory in use. ENERGY: 727200 768.1855 2085.3818 1950.5866 133.0430 -206583.4054 18101.5569 0.0000 0.0000 34257.7300 -149286.9216 299.1813 -183544.6515 -149190.8145 298.5871 39.4459 69.8689 559649.0914 -8.7994 -8.7533 PRESSURE: 727400 -179.504 40.5704 -48.2646 40.5711 -146.635 -50.5824 -48.2662 -50.5817 -49.1249 GPRESSURE: 727400 -157.275 55.7153 -58.0642 70.8524 -93.2656 -97.2318 -28.1333 35.6435 -29.5808 PRESSAVG: 727400 32.1361 -0.596625 26.4018 -0.596554 20.776 -32.6128 26.4019 -32.6127 -24.2807 GPRESSAVG: 727400 32.619 -0.818744 22.766 0.481053 21.9611 -33.2436 27.93 -31.5105 -25.5091 TIMING: 727400 CPU: 2113.17, 0.00291085/step Wall: 2113.17, 0.00291085/step, 3.45469 hours remaining, 205.183594 MB of memory in use. ENERGY: 727400 756.3351 2063.7368 2007.8505 120.4076 -206229.9207 17712.1277 0.0000 0.0000 34103.8369 -149465.6261 297.8373 -183569.4630 -149367.8906 298.7522 -125.0880 -93.3737 558914.3409 9.5438 9.6903 PRESSURE: 727600 176.442 -294.507 24.4405 -294.507 78.9344 54.4002 24.4407 54.4005 64.7302 GPRESSURE: 727600 171.045 -186.791 131.035 -263.96 93.2591 47.3956 70.6775 54.0432 162.966 PRESSAVG: 727600 -39.2927 -66.8547 -36.019 -66.8547 45.3364 40.0024 -36.0191 40.0023 8.65784 GPRESSAVG: 727600 -37.8447 -65.4538 -34.7188 -68.6406 45.2841 40.9452 -36.0471 40.5292 7.97066 TIMING: 727600 CPU: 2113.76, 0.00291936/step Wall: 2113.76, 0.00291936/step, 3.46463 hours remaining, 205.183594 MB of memory in use. ENERGY: 727600 759.0195 2102.2430 1998.2152 127.4895 -206484.1212 18012.4324 0.0000 0.0000 34231.6223 -149253.0993 298.9533 -183484.7216 -149159.8280 298.6079 106.7022 142.4235 557836.9717 4.9005 5.1367 PRESSURE: 727800 81.105 66.3396 -77.2242 66.3388 161.697 -70.9102 -77.2231 -70.9108 -126.891 GPRESSURE: 727800 102.133 49.4872 -124.553 39.3994 197.891 -88.9465 -72.1618 -103.085 -100.285 PRESSAVG: 727800 -38.6644 -57.8217 -38.8257 -57.8216 36.7739 -7.77635 -38.8257 -7.77632 -30.2502 GPRESSAVG: 727800 -38.9206 -58.2566 -36.0065 -58.1687 37.7745 -8.95861 -40.0431 -8.29397 -31.1123 TIMING: 727800 CPU: 2114.34, 0.00292946/step Wall: 2114.34, 0.00292946/step, 3.47646 hours remaining, 205.183594 MB of memory in use. ENERGY: 727800 756.4790 2088.9980 1979.2085 123.1865 -206511.6638 18009.9449 0.0000 0.0000 34165.0621 -149388.7848 298.3720 -183553.8469 -149301.6131 298.8388 38.6370 66.5796 557116.5164 -10.7136 -10.7528 PRESSURE: 728000 18.6318 -10.4524 90.1593 -10.4527 -91.687 -129.553 90.1595 -129.554 -154.412 GPRESSURE: 728000 14.2151 -70.5803 97.0914 58.8264 -49.3032 -99.9035 115.088 -36.9063 -107.034 PRESSAVG: 728000 26.0598 -13.7973 -3.33169 -13.7972 -78.3162 -23.0915 -3.33179 -23.0915 10.8117 GPRESSAVG: 728000 25.0139 -14.264 -3.34577 -10.6719 -80.0702 -21.2024 -5.02188 -22.7832 12.7043 TIMING: 728000 CPU: 2114.93, 0.00291238/step Wall: 2114.93, 0.00291238/step, 3.45602 hours remaining, 205.183594 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: 728000 734.2224 2113.2616 1977.6000 121.1209 -205778.7790 17597.0622 0.0000 0.0000 34068.0086 -149167.5033 297.5244 -183235.5119 -149076.1068 298.5592 -75.8223 -47.3741 557747.6520 -13.8149 -14.1173 PRESSURE: 728200 -387.729 -94.3924 47.0691 -94.3919 -76.4008 74.7165 47.0697 74.7159 -83.9848 GPRESSURE: 728200 -346.509 -57.2827 118.257 -75.4474 -31.8219 45.4676 42.0957 129.678 -74.4645 PRESSAVG: 728200 -62.6838 -6.76753 18.7057 -6.7675 67.088 14.3744 18.7056 14.3744 36.1837 GPRESSAVG: 728200 -62.8858 -6.89217 17.5848 -8.14079 68.0298 10.6538 20.6789 16.097 36.2503 TIMING: 728200 CPU: 2115.51, 0.00289793/step Wall: 2115.51, 0.00289793/step, 3.43872 hours remaining, 205.183594 MB of memory in use. ENERGY: 728200 737.7897 2084.2569 1983.9178 122.5509 -206046.1902 17544.0046 0.0000 0.0000 34246.7217 -149326.9486 299.0851 -183573.6704 -149228.5380 299.2029 -182.7048 -150.9317 558038.4070 13.5293 13.7981 LDB: ============= START OF LOAD BALANCING ============== 2118.97 LDB: ============== END OF LOAD BALANCING =============== 2118.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2118.97 LDB: ============= START OF LOAD BALANCING ============== 2119.26 LDB: Largest compute 4827 load 0.029696 is 25.3% of average load 0.117571 LDB: Average compute 0.001740 is 1.5% of average load 0.117571 LDB: TIME 2119.27 LOAD: AVG 0.117571 MAX 0.178438 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.168 MB LDB: TIME 2119.27 LOAD: AVG 0.117571 MAX 0.178438 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.172 MB LDB: TIME 2119.27 LOAD: AVG 0.117571 MAX 0.178438 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.172 MB LDB: ============== END OF LOAD BALANCING =============== 2119.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2119.27 PRESSURE: 728400 28.771 73.8054 58.2185 73.8065 238.263 -157.807 58.2191 -157.806 202.708 GPRESSURE: 728400 69.3291 34.2653 97.8425 110.131 257.39 -121.028 87.2086 -133.901 249.936 PRESSAVG: 728400 -12.0095 6.93446 33.9815 6.93446 -42.1905 12.6373 33.9814 12.6374 50.9725 GPRESSAVG: 728400 -10.9236 9.65396 33.5014 6.6881 -42.7574 14.6511 34.1188 11.499 49.9532 TIMING: 728400 CPU: 2116.1, 0.00295272/step Wall: 2116.1, 0.00295272/step, 3.50357 hours remaining, 203.535156 MB of memory in use. ENERGY: 728400 708.6656 2073.5395 2008.5422 109.2649 -206629.8772 18206.4695 0.0000 0.0000 34167.3148 -149356.0807 298.3917 -183523.3955 -149260.1958 299.1508 156.5808 192.2186 556186.5768 -1.0759 -1.2426 PRESSURE: 728600 79.3613 55.7839 -36.1642 55.785 18.1619 -10.5655 -36.1658 -10.566 225.931 GPRESSURE: 728600 111.849 8.65049 -157.772 85.3709 41.7672 30.1304 25.8558 84.2523 278.251 PRESSAVG: 728600 -22.2776 -4.89426 -61.4139 -4.89424 14.727 -14.4406 -61.414 -14.4406 34.748 GPRESSAVG: 728600 -23.1206 -7.66639 -61.7441 -3.11157 14.0136 -16.2094 -63.9117 -14.2945 36.1057 TIMING: 728600 CPU: 2116.68, 0.00291053/step Wall: 2116.68, 0.00291053/step, 3.45334 hours remaining, 203.968750 MB of memory in use. ENERGY: 728600 750.9992 2106.4911 1981.3162 111.0749 -206733.2808 17928.8312 0.0000 0.0000 34523.8160 -149330.7523 301.5051 -183854.5683 -149234.7467 299.6232 107.8181 143.9560 554909.0470 9.0658 8.9996 PRESSURE: 728800 104.276 61.3741 98.1216 61.3741 -67.7561 -56.0616 98.1235 -56.0607 -150.406 GPRESSURE: 728800 156.479 50.7527 70.9591 75.8175 -43.6941 -74.2728 135.784 -47.2643 -124.204 PRESSAVG: 728800 8.06678 3.92433 -56.0373 3.92434 -61.333 9.02625 -56.0373 9.02625 -44.535 GPRESSAVG: 728800 9.09375 5.27238 -56.1453 3.60142 -60.214 10.4978 -54.5256 8.63991 -46.1586 TIMING: 728800 CPU: 2117.25, 0.00286707/step Wall: 2117.25, 0.00286707/step, 3.40161 hours remaining, 203.968750 MB of memory in use. ENERGY: 728800 746.6030 2100.5786 2007.0527 112.2675 -205979.7362 17749.3271 0.0000 0.0000 33952.6654 -149311.2419 296.5171 -183263.9073 -149218.0949 298.9220 -37.9619 -3.8063 557559.8774 -32.6004 -32.4263 PRESSURE: 729000 159.671 76.2957 -176.334 76.2968 313.34 3.59037 -176.335 3.58985 151.672 GPRESSURE: 729000 173.3 20.7904 -212.766 117.191 333.627 30.6965 -135.232 -44.0536 219.868 PRESSAVG: 729000 -18.1534 14.6183 -31.3639 14.6184 19.5883 -73.2657 -31.3638 -73.2656 -16.2305 GPRESSAVG: 729000 -19.263 15.0764 -29.4347 13.4812 19.6989 -72.2377 -31.6965 -74.1587 -14.8371 TIMING: 729000 CPU: 2117.83, 0.00289724/step Wall: 2117.83, 0.00289724/step, 3.43726 hours remaining, 203.968750 MB of memory in use. ENERGY: 729000 707.1420 2141.9861 2008.2938 114.9281 -206355.2737 18007.3823 0.0000 0.0000 34205.3733 -149170.1683 298.7240 -183375.5415 -149080.2137 299.7238 208.2275 242.2649 557523.8779 -4.9318 -4.8004 PRESSURE: 729200 65.8331 -47.0739 104.84 -47.0723 39.7452 38.6138 104.839 38.6136 30.7541 GPRESSURE: 729200 134.895 -103.894 157.229 8.17438 51.3816 41.659 118.628 71.3448 45.5623 PRESSAVG: 729200 -17.8298 -14.5457 32.3088 -14.5457 -9.57112 -19.3567 32.3088 -19.3567 -6.00628 GPRESSAVG: 729200 -17.5228 -14.0868 32.513 -12.7652 -9.34316 -19.445 31.9465 -19.159 -5.84289 TIMING: 729200 CPU: 2118.41, 0.00291216/step Wall: 2118.41, 0.00291216/step, 3.4548 hours remaining, 203.968750 MB of memory in use. ENERGY: 729200 763.9788 2091.4782 1988.7675 128.4252 -206177.8811 17742.3009 0.0000 0.0000 34382.5229 -149080.4075 300.2711 -183462.9304 -148988.2581 299.6919 45.4442 77.2796 557319.3602 -11.1357 -10.9030 PRESSURE: 729400 -107.346 -26.0535 106.296 -26.0537 -131.408 -72.8477 106.296 -72.8493 70.931 GPRESSURE: 729400 -49.5535 -33.2912 54.281 -83.488 -110.765 -132.501 116.847 -11.1088 88.3969 PRESSAVG: 729400 70.7913 -51.1932 -27.5734 -51.1932 -24.1515 -42.4162 -27.5734 -42.4162 -42.1235 GPRESSAVG: 729400 71.3812 -53.2242 -30.5848 -48.4497 -24.0036 -41.8958 -26.007 -40.3814 -43.2149 TIMING: 729400 CPU: 2119, 0.00292318/step Wall: 2119, 0.00292318/step, 3.4677 hours remaining, 203.968750 MB of memory in use. ENERGY: 729400 757.7471 2118.6931 1984.7532 127.1328 -205988.3709 17691.4190 0.0000 0.0000 34166.4109 -149142.2147 298.3838 -183308.6256 -149042.8169 299.3425 -55.9410 -23.9740 556429.5267 1.5054 1.3875 PRESSURE: 729600 -200.124 -57.1753 111.631 -57.1752 -329.737 50.2694 111.631 50.2687 -198.645 GPRESSURE: 729600 -145.896 -124.089 118.954 -33.2699 -259.167 -82.3385 67.7541 118.026 -237.763 PRESSAVG: 729600 4.99572 -12.346 59.822 -12.3461 32.5625 -43.3915 59.8221 -43.3915 -47.6804 GPRESSAVG: 729600 5.00131 -13.3554 62.6209 -13.5435 31.3217 -46.209 57.6049 -43.6736 -46.4859 TIMING: 729600 CPU: 2119.58, 0.00292402/step Wall: 2119.58, 0.00292402/step, 3.46853 hours remaining, 203.968750 MB of memory in use. ENERGY: 729600 760.5612 2079.5294 2012.9104 107.8191 -205645.3964 17324.9792 0.0000 0.0000 34360.6825 -148998.9146 300.0804 -183359.5970 -148900.3475 299.7747 -242.8354 -214.2753 557948.5092 -3.3741 -3.3877 PRESSURE: 729800 -127.629 -59.71 82.9423 -59.7097 -212.714 -225.074 82.9421 -225.077 -38.7424 GPRESSURE: 729800 -70.1526 -63.1223 85.9913 -65.7433 -201.666 -276.539 79.5308 -177.256 -5.42213 PRESSAVG: 729800 -22.4436 -37.7535 74.6258 -37.7535 69.7041 -34.7432 74.6259 -34.7433 -31.9862 GPRESSAVG: 729800 -22.6951 -37.4245 73.941 -40.1922 69.6992 -33.1714 76.0036 -33.7596 -31.4535 TIMING: 729800 CPU: 2120.16, 0.0028873/step Wall: 2120.16, 0.0028873/step, 3.42482 hours remaining, 203.968750 MB of memory in use. ENERGY: 729800 749.1031 2070.8382 1972.3045 126.3420 -205796.9101 17447.5367 0.0000 0.0000 34337.5732 -149093.2124 299.8786 -183430.7856 -148998.8468 299.5721 -126.3620 -92.4136 557151.2360 5.0914 5.1836 PRESSURE: 730000 -232.346 -63.38 1.81628 -63.3814 -187.454 -78.5941 1.81559 -78.5949 18.3723 GPRESSURE: 730000 -173.964 -69.0193 22.0179 -88.7213 -171.315 -184.648 -18.0633 2.80202 57.0215 PRESSAVG: 730000 27.1289 -72.2162 -34.2723 -72.2162 -10.5686 -28.0065 -34.2724 -28.0065 0.763606 GPRESSAVG: 730000 27.5202 -70.0135 -33.6657 -73.4931 -10.0083 -27.4701 -34.0491 -27.6172 0.342972 TIMING: 730000 CPU: 2120.74, 0.00290214/step Wall: 2120.74, 0.00290214/step, 3.44226 hours remaining, 203.968750 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: 730000 758.8772 2037.7276 1998.3949 110.6272 -205994.3799 17561.6942 0.0000 0.0000 34368.4863 -149158.5726 300.1485 -183527.0589 -149065.7398 299.2664 -133.8093 -96.0856 557667.6666 5.7746 5.9516 PRESSURE: 730200 -84.0455 60.1181 71.2574 60.1176 -138.175 -169.026 71.2594 -169.027 -368.576 GPRESSURE: 730200 -6.30903 66.4589 61.3318 108.787 -151.83 -88.0913 71.711 -144.711 -330.847 PRESSAVG: 730200 40.3325 -48.8267 3.41539 -48.8268 6.97462 -49.9355 3.41542 -49.9355 -45.5035 GPRESSAVG: 730200 40.9008 -49.1568 2.20786 -45.6482 6.35701 -50.2764 4.86513 -50.3576 -45.8691 TIMING: 730200 CPU: 2121.32, 0.00290486/step Wall: 2121.32, 0.00290486/step, 3.44533 hours remaining, 203.968750 MB of memory in use. ENERGY: 730200 756.8420 2118.4267 1989.4029 132.9906 -206110.3353 17538.9632 0.0000 0.0000 34387.0346 -149186.6753 300.3105 -183573.7098 -149090.0440 299.9511 -196.9320 -162.9952 558247.0046 0.6012 0.4629 PRESSURE: 730400 87.5256 16.9838 39.3561 16.9837 -146.296 35.3317 39.357 35.3315 124.103 GPRESSURE: 730400 121.607 90.589 37.9885 49.6767 -120.28 43.9353 40.6378 65.5104 143.329 PRESSAVG: 730400 -27.7582 -17.9721 27.1314 -17.972 20.0018 -9.07071 27.1314 -9.07069 37.3739 GPRESSAVG: 730400 -28.0292 -17.5283 27.8177 -18.9757 19.7974 -11.2242 26.0056 -10.1349 37.4902 TIMING: 730400 CPU: 2121.9, 0.00290452/step Wall: 2121.9, 0.00290452/step, 3.44476 hours remaining, 203.968750 MB of memory in use. ENERGY: 730400 770.6611 2107.1780 2016.2223 121.4049 -206309.5593 17829.0832 0.0000 0.0000 34298.8007 -149166.2091 299.5400 -183465.0098 -149061.9226 300.3699 21.7774 48.2186 557301.8048 9.8725 9.7528 PRESSURE: 730600 -13.9297 50.4485 -130.455 50.4479 43.3881 62.7782 -130.455 62.7787 -100.554 GPRESSURE: 730600 27.3276 162.286 -122.458 8.95866 30.7492 56.8292 -97.4813 79.8597 -22.5566 PRESSAVG: 730600 -2.78689 15.031 29.2221 15.0311 -11.5087 6.41683 29.222 6.41697 -13.1739 GPRESSAVG: 730600 -2.07131 15.9687 29.3027 14.0182 -11.4616 9.39215 28.4014 5.06389 -13.6184 TIMING: 730600 CPU: 2122.49, 0.00293136/step Wall: 2122.49, 0.00293136/step, 3.47643 hours remaining, 203.968750 MB of memory in use. ENERGY: 730600 728.2635 2139.7638 1985.2061 124.3789 -206111.6140 17753.9047 0.0000 0.0000 34368.4075 -149011.6896 300.1479 -183380.0970 -148914.6699 300.0043 -23.6986 11.8400 556581.4505 -9.1565 -9.0505 PRESSURE: 730800 -5.13362 25.7451 57.8315 25.7462 -259.248 -15.3374 57.8306 -15.3382 -209.042 GPRESSURE: 730800 -18.6509 13.6178 5.19959 42.4514 -201.238 0.960503 16.6756 -50.8332 -153.135 PRESSAVG: 730800 41.8987 26.1701 -25.3697 26.1701 -50.7962 27.2659 -25.3697 27.2659 -35.2074 GPRESSAVG: 730800 40.6209 25.1783 -26.5132 26.596 -49.5309 28.5068 -26.0581 24.2308 -34.6769 TIMING: 730800 CPU: 2123.07, 0.002913/step Wall: 2123.07, 0.002913/step, 3.45449 hours remaining, 203.968750 MB of memory in use. ENERGY: 730800 746.1602 2070.5706 1989.9654 110.3913 -206198.0942 17601.6108 0.0000 0.0000 34484.4701 -149194.9258 301.1615 -183679.3959 -149096.4651 300.0981 -157.8078 -124.3414 557623.7805 -14.7016 -14.5290 PRESSURE: 731000 120.8 -0.905193 67.3017 -0.904472 45.7499 -12.6172 67.3015 -12.6184 52.3006 GPRESSURE: 731000 142.243 -34.5086 95.9271 -9.0703 74.269 -21.328 19.9407 -82.3734 106.025 PRESSAVG: 731000 9.58393 41.9912 -13.0414 41.9911 -33.3945 19.8877 -13.0415 19.8877 9.79543 GPRESSAVG: 731000 10.0035 41.0236 -11.2336 40.6859 -34.2074 17.2943 -12.8207 22.2762 10.2163 TIMING: 731000 CPU: 2123.66, 0.00291508/step Wall: 2123.66, 0.00291508/step, 3.4568 hours remaining, 203.968750 MB of memory in use. ENERGY: 731000 759.2688 2084.1839 2034.3541 115.9568 -206474.1859 17980.2428 0.0000 0.0000 34337.8994 -149162.2801 299.8814 -183500.1795 -149064.4881 299.8185 72.9503 107.5123 556468.1466 -4.6717 -4.6625 PRESSURE: 731200 -96.3013 18.7887 -168.687 18.789 -104.936 -49.6337 -168.686 -49.6343 1.67333 GPRESSURE: 731200 -47.8862 77.8011 -162.933 8.8542 -72.9173 -45.0079 -208.373 -95.4468 20.2144 PRESSAVG: 731200 19.0408 51.7537 -44.8336 51.7537 23.2578 20.1096 -44.8336 20.1095 -44.1814 GPRESSAVG: 731200 18.5182 50.8106 -46.5008 54.4991 23.7033 19.6151 -44.4918 21.6812 -44.0339 TIMING: 731200 CPU: 2124.24, 0.00289759/step Wall: 2124.24, 0.00289759/step, 3.4359 hours remaining, 203.968750 MB of memory in use. ENERGY: 731200 730.3816 2154.7061 1994.0950 112.8993 -206227.8223 17613.0994 0.0000 0.0000 34257.5424 -149365.0985 299.1796 -183622.6408 -149269.9787 299.2293 -66.5214 -33.5297 556250.6265 -0.6276 -0.6041 PRESSURE: 731400 -262.111 -103.681 -104.902 -103.679 -5.26094 126.125 -104.902 126.125 -210.199 GPRESSURE: 731400 -211.074 -111.998 -109.905 -136.227 -8.13048 227.707 -114.231 101.108 -157.263 PRESSAVG: 731400 2.15878 -12.3955 -2.63931 -12.3954 -33.2195 -16.1089 -2.63927 -16.1089 19.0052 GPRESSAVG: 731400 3.41889 -10.844 -1.90082 -12.3831 -33.736 -15.8859 -3.30761 -16.2986 19.14 TIMING: 731400 CPU: 2124.82, 0.002903/step Wall: 2124.82, 0.002903/step, 3.44216 hours remaining, 203.968750 MB of memory in use. ENERGY: 731400 726.7620 2155.6685 2000.0515 113.7613 -206070.2105 17538.4761 0.0000 0.0000 34155.6317 -149379.8594 298.2896 -183535.4911 -149286.0088 298.7201 -159.1904 -125.4893 556773.5359 -4.0185 -3.7257 PRESSURE: 731600 155.417 -113.545 -0.592268 -113.545 20.8275 217.573 -0.592567 217.572 82.8253 GPRESSURE: 731600 184.677 -75.8702 10.3074 -189.791 107.615 301.115 3.62916 209.131 67.1761 PRESSAVG: 731600 52.8678 -10.5529 -0.640448 -10.5529 -28.3412 39.8416 -0.64039 39.8416 -27.2738 GPRESSAVG: 731600 53.1584 -12.0734 0.276181 -9.81065 -27.7579 39.6732 -0.248297 39.0481 -28.6849 TIMING: 731600 CPU: 2125.4, 0.00290757/step Wall: 2125.4, 0.00290757/step, 3.44741 hours remaining, 203.968750 MB of memory in use. ENERGY: 731600 726.0718 2056.2843 1994.6340 118.6887 -206209.7073 17850.8273 0.0000 0.0000 33960.6893 -149502.5119 296.5871 -183463.2012 -149416.0345 298.3368 86.3567 119.8228 557171.8011 -0.9158 -1.0948 PRESSURE: 731800 -137.879 34.8941 -43.1879 34.8953 -219.931 99.1679 -43.1881 99.1678 -190.832 GPRESSURE: 731800 -154.798 9.04747 -41.4828 21.6177 -160.164 24.6781 -92.4681 130.971 -131.73 PRESSAVG: 731800 48.6627 3.05838 43.8649 3.05849 -31.6208 80.2583 43.8651 80.2583 9.46649 GPRESSAVG: 731800 48.025 2.55301 44.5529 2.60878 -31.2818 78.9573 43.4177 81.7988 10.0852 TIMING: 731800 CPU: 2125.98, 0.00290643/step Wall: 2125.98, 0.00290643/step, 3.44589 hours remaining, 203.968750 MB of memory in use. ENERGY: 731800 743.2557 2058.6716 1989.2174 126.7165 -206039.6679 17437.2796 0.0000 0.0000 34195.0787 -149489.4483 298.6341 -183684.5270 -149390.0931 298.6737 -182.8807 -148.8970 557190.9703 8.8362 8.9428 PRESSURE: 732000 11.953 -333.963 -126.545 -333.964 -259.109 -27.3913 -126.544 -27.39 1.65752 GPRESSURE: 732000 -49.2207 -305.426 -95.8844 -375.047 -152.206 76.0688 -210.749 -73.3626 40.8267 PRESSAVG: 732000 17.3981 -13.1742 -22.3947 -13.1742 -72.5635 32.8706 -22.3946 32.8705 79.1876 GPRESSAVG: 732000 16.2563 -11.2361 -21.8398 -15.6694 -72.1784 33.7039 -22.9218 31.9447 79.9898 TIMING: 732000 CPU: 2126.56, 0.00290319/step Wall: 2126.56, 0.00290319/step, 3.44189 hours remaining, 203.968750 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: 732000 774.7902 2117.6655 1955.1422 100.7711 -206220.0540 17893.4119 0.0000 0.0000 33956.9183 -149421.3548 296.5542 -183378.2730 -149327.6464 298.5898 -81.8328 -53.5335 558304.7231 8.0074 8.0225 PRESSURE: 732200 -27.8847 71.4654 165.627 71.4646 -134.39 66.7639 165.627 66.765 -9.22251 GPRESSURE: 732200 28.9661 103.071 302.142 88.2548 -110.89 80.903 95.958 2.70773 -4.92702 PRESSAVG: 732200 71.3685 -8.48629 23.5217 -8.48623 -54.4324 48.9209 23.5217 48.9209 44.8725 GPRESSAVG: 732200 72.948 -9.53655 22.527 -7.15 -55.2376 49.613 23.7432 49.054 43.9802 TIMING: 732200 CPU: 2127.13, 0.00287398/step Wall: 2127.13, 0.00287398/step, 3.4071 hours remaining, 203.968750 MB of memory in use. ENERGY: 732200 754.2457 2094.2416 1971.2170 107.7344 -206198.7551 17521.0117 0.0000 0.0000 34284.4231 -149465.8816 299.4144 -183750.3047 -149370.7488 299.5048 -57.1658 -28.9504 556313.2232 20.6029 20.5635 LDB: ============= START OF LOAD BALANCING ============== 2130.6 LDB: ============== END OF LOAD BALANCING =============== 2130.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2130.6 LDB: ============= START OF LOAD BALANCING ============== 2130.89 LDB: Largest compute 4827 load 0.028679 is 24.4% of average load 0.117585 LDB: Average compute 0.001735 is 1.5% of average load 0.117585 LDB: TIME 2130.89 LOAD: AVG 0.117585 MAX 0.177961 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.16 MB LDB: TIME 2130.89 LOAD: AVG 0.117585 MAX 0.177961 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.16 MB LDB: TIME 2130.89 LOAD: AVG 0.117585 MAX 0.177961 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.16 MB LDB: ============== END OF LOAD BALANCING =============== 2130.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2130.9 PRESSURE: 732400 -57.739 -97.894 6.99183 -97.8958 -98.1423 68.4011 6.9925 68.4005 -288.404 GPRESSURE: 732400 -39.1479 -88.5028 1.60652 -130.922 -97.0452 86.3835 75.2199 42.041 -217.674 PRESSAVG: 732400 -49.9472 31.7242 26.1945 31.7243 51.5175 55.3747 26.1944 55.3748 -4.86299 GPRESSAVG: 732400 -50.1488 33.3216 25.7173 31.5012 50.4626 55.9859 25.7495 56.242 -4.76909 TIMING: 732400 CPU: 2127.72, 0.00294843/step Wall: 2127.72, 0.00294843/step, 3.4952 hours remaining, 204.710938 MB of memory in use. ENERGY: 732400 755.3428 2080.0987 1977.2251 118.6389 -206085.2109 17418.5194 0.0000 0.0000 34191.1176 -149544.2683 298.5995 -183735.3859 -149449.7109 298.7073 -148.0950 -117.9558 556206.5904 -1.0976 -1.4851 PRESSURE: 732600 -12.1233 153.072 61.3094 153.073 -79.9018 166.668 61.3078 166.67 -175.566 GPRESSURE: 732600 70.4074 89.5534 63.305 205.55 -72.5693 187.935 108.97 149.299 -168.477 PRESSAVG: 732600 41.1225 24.7021 3.25197 24.7021 -18.4898 -23.2747 3.25194 -23.2748 12.9812 GPRESSAVG: 732600 41.5832 24.6482 3.79413 22.9714 -18.7153 -25.2624 4.06387 -22.4382 12.7609 TIMING: 732600 CPU: 2128.3, 0.00289615/step Wall: 2128.3, 0.00289615/step, 3.43306 hours remaining, 204.710938 MB of memory in use. ENERGY: 732600 805.0215 2034.9987 1993.1339 112.0196 -206258.4762 17774.1573 0.0000 0.0000 34155.4773 -149383.6680 298.2883 -183539.1453 -149279.1245 298.4397 -89.1971 -56.8796 556999.0616 11.8713 11.8763 PRESSURE: 732800 -353.89 -50.5097 37.7815 -50.5101 58.1059 192.851 37.7822 192.852 -243.382 GPRESSURE: 732800 -325.752 -13.4193 66.9001 -152.821 89.9929 181.901 4.71795 110.811 -206.552 PRESSAVG: 732800 -82.0529 -10.0766 14.3478 -10.0766 77.7858 14.7 14.3478 14.7002 -20.628 GPRESSAVG: 732800 -83.3269 -9.56588 13.8679 -8.74549 78.5529 19.0301 14.5875 13.7691 -20.1331 TIMING: 732800 CPU: 2128.88, 0.00290238/step Wall: 2128.88, 0.00290238/step, 3.44029 hours remaining, 204.710938 MB of memory in use. ENERGY: 732800 789.1587 2050.4462 2000.4845 124.7712 -206273.3834 17607.4775 0.0000 0.0000 34261.8488 -149439.1965 299.2172 -183701.0453 -149344.5414 298.9191 -179.7217 -147.4371 556692.5727 -8.2984 -8.3024 PRESSURE: 733000 -3.9317 -26.9317 88.0521 -26.9321 200.2 191.643 88.0518 191.641 31.1553 GPRESSURE: 733000 -37.3344 -115.455 34.6241 -78.1666 262.091 188.081 85.687 208.938 94.4386 PRESSAVG: 733000 28.1319 -54.5398 1.30949 -54.5398 -17.9902 29.1404 1.30949 29.1403 1.01316 GPRESSAVG: 733000 29.2552 -55.2042 -0.351221 -54.4479 -18.1774 26.4528 0.066906 29.3561 0.0698291 TIMING: 733000 CPU: 2129.46, 0.00290165/step Wall: 2129.46, 0.00290165/step, 3.43926 hours remaining, 204.710938 MB of memory in use. ENERGY: 733000 748.6825 2117.3819 1999.5020 103.9206 -206559.8891 17968.6155 0.0000 0.0000 34080.6393 -149541.1472 297.6347 -183621.7865 -149445.4841 298.7460 75.8079 106.3983 556829.4399 3.7183 3.7159 PRESSURE: 733200 57.8488 134.775 -70.9325 134.774 13.1086 -22.5568 -70.9324 -22.5589 -139.382 GPRESSURE: 733200 55.276 54.2199 17.697 67.2921 25.7564 10.7771 -54.0618 -9.16134 -63.8886 PRESSAVG: 733200 -25.4567 -14.0084 -42.8803 -14.0085 22.6148 47.2262 -42.8803 47.2263 -4.82962 GPRESSAVG: 733200 -25.8568 -14.3608 -41.9745 -13.9975 22.116 47.6857 -41.6417 47.8342 -4.20235 TIMING: 733200 CPU: 2130.04, 0.00289395/step Wall: 2130.04, 0.00289395/step, 3.42997 hours remaining, 204.710938 MB of memory in use. ENERGY: 733200 746.5304 2094.3481 1994.2285 126.2741 -206491.1390 17710.1008 0.0000 0.0000 34312.6163 -149507.0408 299.6606 -183819.6571 -149418.3612 298.0965 -22.8082 5.7146 556891.6366 -2.5572 -2.6477 PRESSURE: 733400 -58.0473 164.642 -109.442 164.641 82.2984 130.144 -109.442 130.145 -14.2311 GPRESSURE: 733400 17.2863 129.333 -119.533 267.065 65.068 152.484 5.83321 82.5136 25.377 PRESSAVG: 733400 -64.3188 -8.53353 13.0654 -8.53353 7.3241 52.6576 13.0654 52.6576 23.6985 GPRESSAVG: 733400 -64.7639 -8.77936 15.8414 -9.01423 7.72176 55.2302 11.4254 50.8834 24.0224 TIMING: 733400 CPU: 2130.62, 0.00291008/step Wall: 2130.62, 0.00291008/step, 3.44893 hours remaining, 204.710938 MB of memory in use. ENERGY: 733400 733.0431 2076.0962 2012.8299 102.7612 -206474.3867 17913.8494 0.0000 0.0000 34048.0931 -149587.7138 297.3505 -183635.8070 -149494.6155 297.8687 3.3400 35.9104 557123.5045 -11.0987 -11.0066 PRESSURE: 733600 -421.048 76.4525 -10.9388 76.4525 -116.768 -36.0698 -10.9389 -36.0693 -243.438 GPRESSURE: 733600 -357.122 53.8651 0.769277 124.053 -141.273 10.6089 3.07383 -45.6725 -182.77 PRESSAVG: 733600 -17.3506 37.7252 -52.3054 37.7252 40.4932 18.0374 -52.3054 18.0375 43.6167 GPRESSAVG: 733600 -17.7225 38.0972 -52.0877 36.1875 40.5989 17.182 -52.6895 20.5797 43.9552 TIMING: 733600 CPU: 2131.21, 0.00290695/step Wall: 2131.21, 0.00290695/step, 3.44506 hours remaining, 204.710938 MB of memory in use. ENERGY: 733600 734.6842 2070.4053 1977.1057 114.3010 -205801.0476 17236.0541 0.0000 0.0000 34233.2721 -149435.2252 298.9677 -183668.4973 -149336.0735 298.1488 -260.4177 -227.0547 557324.8724 22.2531 22.2772 PRESSURE: 733800 9.1408 55.9198 62.87 55.919 145.968 -69.3858 62.8699 -69.3858 -96.6983 GPRESSURE: 733800 25.6579 -17.5168 17.754 115.654 136.322 -152.146 133.785 18.2318 -12.4527 PRESSAVG: 733800 -11.2983 10.5448 28.751 10.5448 -8.3905 -52.0744 28.751 -52.0744 7.55843 GPRESSAVG: 733800 -10.7402 9.15777 26.5849 14.3207 -8.35404 -54.8086 31.4096 -53.3893 7.23527 TIMING: 733800 CPU: 2131.79, 0.00290278/step Wall: 2131.79, 0.00290278/step, 3.43996 hours remaining, 204.710938 MB of memory in use. ENERGY: 733800 747.7711 2041.6713 2014.2481 122.8180 -206346.4223 17815.6801 0.0000 0.0000 34161.6803 -149442.5534 298.3425 -183604.2337 -149351.9259 298.1254 19.4700 49.8425 555229.3318 -4.0435 -3.9530 PRESSURE: 734000 -189.716 -104.031 -5.82365 -104.032 82.7915 120.434 -5.82452 120.434 123.8 GPRESSURE: 734000 -160.262 -90.2255 36.2334 -184.539 98.3508 74.1159 102.049 194.622 174.642 PRESSAVG: 734000 -83.6856 -35.2817 21.9931 -35.2817 27.8573 -46.2095 21.993 -46.2095 62.7197 GPRESSAVG: 734000 -82.2457 -33.4757 22.7001 -35.4854 26.3261 -44.8663 21.6017 -45.8198 62.4004 TIMING: 734000 CPU: 2132.37, 0.00289627/step Wall: 2132.37, 0.00289627/step, 3.43209 hours remaining, 204.710938 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: 734000 748.2664 2039.0314 1950.7511 117.7614 -206466.1304 17874.5889 0.0000 0.0000 34201.0443 -149534.6869 298.6862 -183735.7312 -149431.4540 298.3696 5.6254 37.5770 557454.8251 2.2971 2.1603 PRESSURE: 734200 7.2823 -43.875 -99.722 -43.876 64.6836 -96.6681 -99.7228 -96.6686 -119.429 GPRESSURE: 734200 36.7148 -72.3276 -133.958 31.4129 94.2441 -57.7281 -110.744 -38.8821 -67.1507 PRESSAVG: 734200 -70.3598 -48.3123 -7.1077 -48.3121 26.805 -8.81663 -7.1076 -8.81666 51.5275 GPRESSAVG: 734200 -71.8208 -48.6964 -7.3734 -49.207 27.3372 -8.7612 -7.36079 -9.13793 52.1276 TIMING: 734200 CPU: 2132.94, 0.00289234/step Wall: 2132.94, 0.00289234/step, 3.42726 hours remaining, 204.710938 MB of memory in use. ENERGY: 734200 737.1100 2109.0629 1970.5760 115.6310 -206230.0125 17788.6839 0.0000 0.0000 34116.9436 -149392.0051 297.9518 -183508.9487 -149297.0524 298.3941 -15.8209 21.2694 558448.5552 2.6575 2.5480 PRESSURE: 734400 -22.9524 -60.7636 -159.207 -60.7637 2.84051 116.771 -159.206 116.769 180.589 GPRESSURE: 734400 71.5926 -59.8077 -193.642 24.8196 53.9038 144.983 -186.983 103.827 127.005 PRESSAVG: 734400 -28.5959 -40.4044 12.0501 -40.4044 25.8164 29.4259 12.0502 29.4259 5.54026 GPRESSAVG: 734400 -28.4091 -40.3639 11.0053 -39.7983 26.3714 27.3953 12.3359 30.5265 4.66487 TIMING: 734400 CPU: 2133.52, 0.00288478/step Wall: 2133.52, 0.00288478/step, 3.41814 hours remaining, 204.710938 MB of memory in use. ENERGY: 734400 742.1848 2147.8557 1961.7525 124.6949 -206129.0079 17814.9434 0.0000 0.0000 34250.0049 -149087.5718 299.1138 -183337.5766 -148996.4371 298.8044 53.4923 84.1671 557416.1823 0.9203 0.8757 PRESSURE: 734600 290.866 115.754 50.0896 115.754 6.82955 221.448 50.091 221.446 -7.1007 GPRESSURE: 734600 258.649 144.248 -13.1611 56.2742 43.7632 122.382 93.5699 178.345 76.8294 PRESSAVG: 734600 50.1011 3.50713 -4.60761 3.50717 -62.9398 17.7166 -4.60766 17.7166 29.9415 GPRESSAVG: 734600 49.5946 2.10213 -5.50971 4.60775 -63.2043 18.2031 -4.58066 17.1952 30.8064 TIMING: 734600 CPU: 2134.1, 0.00289113/step Wall: 2134.1, 0.00289113/step, 3.42551 hours remaining, 204.710938 MB of memory in use. ENERGY: 734600 741.1553 2088.2189 1968.5549 121.7655 -206530.8880 17931.8472 0.0000 0.0000 34501.5855 -149177.7607 301.3109 -183679.3462 -149088.4936 300.0062 96.8648 126.4138 554618.9882 5.7009 5.7323 PRESSURE: 734800 -167.366 98.6474 2.55905 98.6477 140.528 31.4011 2.55843 31.4023 4.55214 GPRESSURE: 734800 -132.46 36.4117 64.5595 193.11 136.869 -54.5666 91.987 36.0991 74.3621 PRESSAVG: 734800 -49.8331 53.9682 31.5373 53.9682 18.6886 -4.2062 31.5373 -4.20628 62.2313 GPRESSAVG: 734800 -50.0871 56.8257 33.3232 52.7182 19.1589 -3.4674 32.4967 -5.4554 62.5649 TIMING: 734800 CPU: 2134.68, 0.00288319/step Wall: 2134.68, 0.00288319/step, 3.41594 hours remaining, 204.851562 MB of memory in use. ENERGY: 734800 760.7857 2090.6934 2010.7286 115.3511 -205966.0000 17860.0537 0.0000 0.0000 34111.3514 -149017.0362 297.9029 -183128.3875 -148923.6957 299.8697 -7.4288 26.2570 556295.3158 10.3623 10.5456 PRESSURE: 735000 -141.362 -14.2938 -65.7071 -14.294 -76.2295 131.215 -65.7079 131.216 38.8186 GPRESSURE: 735000 -80.8181 -42.8957 -54.7467 3.68828 -54.6889 66.9106 -74.2402 100.932 54.3349 PRESSAVG: 735000 -6.08399 40.605 38.019 40.605 63.5145 4.56027 38.0189 4.56021 -61.5344 GPRESSAVG: 735000 -5.50347 38.3039 37.6253 42.1254 63.8384 2.77392 35.364 4.81633 -62.7698 TIMING: 735000 CPU: 2135.26, 0.00290501/step Wall: 2135.26, 0.00290501/step, 3.44164 hours remaining, 204.851562 MB of memory in use. ENERGY: 735000 752.3046 2096.8286 1982.7463 124.6269 -206191.6140 17718.9683 0.0000 0.0000 34322.6488 -149193.4905 299.7482 -183516.1393 -149098.7424 299.4495 -59.5910 -27.0574 556833.8681 -1.3680 -1.4783 PRESSURE: 735200 49.2829 26.01 100.529 26.0093 -252.569 -10.4018 100.528 -10.4026 -397.877 GPRESSURE: 735200 78.8616 59.5209 52.7474 -46.3156 -203.511 20.7325 49.7707 21.9207 -367.453 PRESSAVG: 735200 26.8225 32.6249 -8.92234 32.625 -21.5495 -28.6283 -8.92231 -28.6283 -42.7417 GPRESSAVG: 735200 27.2382 33.4208 -8.08504 31.9351 -21.5583 -27.685 -8.17309 -27.4671 -41.9846 TIMING: 735200 CPU: 2135.83, 0.00287977/step Wall: 2135.83, 0.00287977/step, 3.41156 hours remaining, 204.851562 MB of memory in use. ENERGY: 735200 768.0336 2089.8063 1971.5077 105.6333 -205802.4993 17375.5201 0.0000 0.0000 34121.2995 -149370.6989 297.9898 -183491.9984 -149267.1603 299.0052 -200.3877 -164.0341 557231.4449 -12.4896 -12.1016 PRESSURE: 735400 -71.1368 -42.0829 3.6261 -42.0832 93.8142 -213.77 3.62591 -213.771 20.5607 GPRESSURE: 735400 6.97412 -102.875 20.2676 -49.5119 70.724 -192.212 0.0759391 -163.316 66.0817 PRESSAVG: 735400 99.3176 -16.0972 31.3852 -16.0971 -46.4439 20.4129 31.3851 20.4129 -87.0178 GPRESSAVG: 735400 99.5408 -15.4025 30.0827 -16.916 -47.1641 21.3011 31.6838 16.8798 -86.4175 TIMING: 735400 CPU: 2136.41, 0.00289435/step Wall: 2136.41, 0.00289435/step, 3.42868 hours remaining, 204.851562 MB of memory in use. ENERGY: 735400 757.1243 2079.6979 1975.3454 115.0672 -205816.7019 17622.6846 0.0000 0.0000 33981.7467 -149285.0358 296.7710 -183266.7825 -149190.1663 298.4654 14.4127 47.9266 556913.5726 -11.3814 -11.3470 PRESSURE: 735600 161.405 -34.3842 -162.084 -34.3846 176.331 -131.003 -162.084 -131.004 -264.595 GPRESSURE: 735600 192.206 -31.4342 -57.3735 -17.6379 209.665 -181.368 -212.179 -140.787 -217.329 PRESSAVG: 735600 27.8751 5.2708 30.9003 5.27078 18.6892 -60.628 30.9002 -60.6279 -44.3137 GPRESSAVG: 735600 27.8564 5.13906 32.7191 6.76845 19.5789 -60.6341 29.6541 -59.517 -45.4862 TIMING: 735600 CPU: 2136.99, 0.00290439/step Wall: 2136.99, 0.00290439/step, 3.44041 hours remaining, 204.851562 MB of memory in use. ENERGY: 735600 740.4983 2143.3042 1986.1945 108.0120 -206172.9908 17817.0143 0.0000 0.0000 34380.1876 -148997.7799 300.2507 -183377.9675 -148903.6501 299.3506 24.3805 61.5142 556495.7652 0.7502 0.6497 PRESSURE: 735800 -35.3316 -56.0744 76.8582 -56.0745 -18.6421 56.4055 76.8579 56.4067 -43.0759 GPRESSURE: 735800 1.10882 -20.0501 93.5602 -24.8693 15.7529 42.1449 90.9083 37.2799 -16.4494 PRESSAVG: 735800 12.001 -45.8888 14.1803 -45.8888 60.9741 -35.0004 14.1804 -35.0004 -10.5983 GPRESSAVG: 735800 10.5049 -45.0791 11.4242 -46.1556 59.9711 -34.9695 17.3091 -33.9043 -8.90742 TIMING: 735800 CPU: 2137.57, 0.00288222/step Wall: 2137.57, 0.00288222/step, 3.41399 hours remaining, 205.117188 MB of memory in use. ENERGY: 735800 742.6483 2078.3162 2001.2117 118.7327 -206232.4157 17811.7973 0.0000 0.0000 34336.8375 -149142.8721 299.8721 -183479.7096 -149042.4757 300.1282 -32.3498 0.1374 557195.4091 20.7923 20.5229 PRESSURE: 736000 -187.205 70.0774 151.434 70.0774 -9.15278 -48.2488 151.435 -48.2493 -386.204 GPRESSURE: 736000 -142.86 92.8944 247.014 6.5666 -26.1408 -12.672 158.318 -17.8352 -302.319 PRESSAVG: 736000 -21.3582 -91.4053 -16.0606 -91.4053 9.31708 3.85778 -16.0606 3.8579 -59.1572 GPRESSAVG: 736000 -20.2679 -91.3733 -16.0535 -91.1765 8.29938 4.11766 -17.6916 4.53818 -59.4816 TIMING: 736000 CPU: 2138.14, 0.00287578/step Wall: 2138.14, 0.00287578/step, 3.4062 hours remaining, 205.117188 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: 736000 714.3917 2107.1077 1975.4104 127.7164 -205835.3296 17503.6736 0.0000 0.0000 34227.5543 -149179.4755 298.9177 -183407.0298 -149086.8169 299.7084 -194.1873 -157.1065 557604.8078 -23.7328 -23.8167 PRESSURE: 736200 -130.986 38.0976 -38.1658 38.0971 51.8079 -50.9561 -38.1651 -50.9573 -106.456 GPRESSURE: 736200 -36.6963 97.1794 -42.0697 24.0906 24.7718 -96.86 -14.5398 8.09054 -73.4947 PRESSAVG: 736200 -22.8983 2.98143 -17.3014 2.98149 42.524 -15.1504 -17.3014 -15.1504 2.83577 GPRESSAVG: 736200 -22.1863 3.14299 -15.9651 2.17981 42.4522 -16.9578 -16.0572 -14.7252 1.74939 TIMING: 736200 CPU: 2138.72, 0.00288105/step Wall: 2138.72, 0.00288105/step, 3.41228 hours remaining, 205.117188 MB of memory in use. ENERGY: 736200 758.3025 2042.5397 1964.0118 97.2393 -206224.0653 17860.2349 0.0000 0.0000 34088.3449 -149413.3922 297.7020 -183501.7371 -149319.9421 299.2756 -61.8780 -28.4730 557433.2277 7.4872 7.3384 LDB: ============= START OF LOAD BALANCING ============== 2142.19 LDB: ============== END OF LOAD BALANCING =============== 2142.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2142.19 LDB: ============= START OF LOAD BALANCING ============== 2142.48 LDB: Largest compute 4827 load 0.026942 is 22.9% of average load 0.117583 LDB: Average compute 0.001728 is 1.5% of average load 0.117583 LDB: TIME 2142.48 LOAD: AVG 0.117583 MAX 0.178411 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.402 MB LDB: TIME 2142.48 LOAD: AVG 0.117583 MAX 0.178411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: TIME 2142.48 LOAD: AVG 0.117583 MAX 0.178411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.605 MB LDB: ============== END OF LOAD BALANCING =============== 2142.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2142.49 PRESSURE: 736400 -170.404 27.4614 58.0969 27.4614 180.492 109.374 58.098 109.372 44.5635 GPRESSURE: 736400 -108.088 -19.3349 60.5809 60.6299 205.178 26.9209 -42.0502 94.7726 56.4143 PRESSAVG: 736400 18.1362 15.154 -15.317 15.1539 -26.0594 12.3497 -15.3171 12.3497 38.1431 GPRESSAVG: 736400 17.0689 16.4975 -15.2332 14.0116 -26.4292 13.5238 -17.3881 13.2173 38.8447 TIMING: 736400 CPU: 2139.31, 0.00295825/step Wall: 2139.31, 0.00295825/step, 3.50355 hours remaining, 203.937500 MB of memory in use. ENERGY: 736400 715.4575 2082.3070 1989.1859 124.9041 -206314.4101 17715.9399 0.0000 0.0000 34333.9873 -149352.6283 299.8473 -183686.6156 -149258.8130 298.5294 18.2170 51.1679 556522.4893 10.0733 9.8281 PRESSURE: 736600 113.638 -110.087 36.2433 -110.087 -321.07 2.04287 36.2443 2.0427 188.513 GPRESSURE: 736600 175.366 -15.5137 -70.4982 -99.3052 -296.655 -69.0455 99.0375 130.054 194.375 PRESSAVG: 736600 -46.0195 -19.6166 -10.4556 -19.6167 -16.2138 38.5648 -10.4556 38.5647 63.0725 GPRESSAVG: 736600 -46.4478 -20.9607 -9.42011 -18.6181 -14.752 39.1409 -11.5883 38.3458 62.4171 TIMING: 736600 CPU: 2139.89, 0.00288785/step Wall: 2139.89, 0.00288785/step, 3.42002 hours remaining, 204.343750 MB of memory in use. ENERGY: 736600 731.9300 2082.0842 1971.5203 118.5757 -206241.8052 17908.8844 0.0000 0.0000 34092.9062 -149335.9044 297.7418 -183428.8106 -149236.5300 298.9601 -6.3063 24.3623 556990.2276 0.2797 0.4058 PRESSURE: 736800 -131.061 -83.7664 97.8759 -83.7671 -39.5159 37.4779 97.8752 37.4794 -157.803 GPRESSURE: 736800 -132.792 -119.531 109.966 -61.7043 -80.9182 112.66 61.0955 -11.0735 -28.8326 PRESSAVG: 736800 -47.1725 8.59873 -8.32569 8.59872 -10.1401 22.0079 -8.3257 22.0079 57.3069 GPRESSAVG: 736800 -46.4373 8.59266 -9.55208 9.39963 -11.2538 21.0797 -5.74552 22.0854 58.3153 TIMING: 736800 CPU: 2140.47, 0.00290412/step Wall: 2140.47, 0.00290412/step, 3.43912 hours remaining, 204.402344 MB of memory in use. ENERGY: 736800 751.6421 2108.2832 1966.8743 109.1162 -205986.1687 17698.9388 0.0000 0.0000 34187.5429 -149163.7712 298.5683 -183351.3141 -149056.0757 298.9093 -109.4599 -80.8477 558054.6309 -0.0019 0.2080 PRESSURE: 737000 35.564 119.169 106.904 119.168 -285.277 -96.1182 106.903 -96.1176 -82.448 GPRESSURE: 737000 73.4778 92.3378 39.9512 77.191 -297.415 -48.3242 130.626 -135.243 -25.9985 PRESSAVG: 737000 -27.7645 -15.3158 -21.1352 -15.3158 -39.7771 5.16319 -21.1352 5.16327 48.059 GPRESSAVG: 737000 -27.9011 -15.5525 -19.935 -15.7018 -38.9998 6.45067 -22.3334 2.72845 47.3332 TIMING: 737000 CPU: 2141.05, 0.00289763/step Wall: 2141.05, 0.00289763/step, 3.43128 hours remaining, 204.402344 MB of memory in use. ENERGY: 737000 780.0689 2071.6325 1982.9166 103.2520 -206000.7258 17630.2616 0.0000 0.0000 34298.9204 -149133.6738 299.5410 -183432.5943 -149038.9667 299.2489 -110.7204 -83.3118 557927.7015 -6.4942 -6.5226 PRESSURE: 737200 -152.159 -34.1927 112.064 -34.1919 -102.521 135.444 112.063 135.444 -230.074 GPRESSURE: 737200 -128.855 -68.4023 95.3078 -0.193628 -22.9753 151.321 77.355 44.4218 -222.454 PRESSAVG: 737200 69.8539 -8.40518 72.0516 -8.40507 -10.201 -12.451 72.0515 -12.451 -24.1544 GPRESSAVG: 737200 69.0423 -8.08915 70.2851 -6.3555 -8.91055 -13.0804 72.9013 -11.4023 -24.3323 TIMING: 737200 CPU: 2141.63, 0.0028816/step Wall: 2141.63, 0.0028816/step, 3.41213 hours remaining, 204.402344 MB of memory in use. ENERGY: 737200 764.6299 2113.1865 1949.7398 123.7388 -206206.4064 17803.3722 0.0000 0.0000 34248.0751 -149203.6641 299.0970 -183451.7392 -149108.3514 299.5363 -161.5849 -124.7614 557850.2968 11.8328 11.9331 PRESSURE: 737400 229.768 104.957 30.4698 104.957 180.526 -107.006 30.4696 -107.006 216.589 GPRESSURE: 737400 226.199 85.3419 56.4802 121.584 219.715 -32.2699 11.3972 -109.732 285.624 PRESSAVG: 737400 17.8894 37.5387 38.7078 37.5388 42.6703 -28.7325 38.7077 -28.7326 -25.8302 GPRESSAVG: 737400 19.2487 38.9548 39.9644 35.159 41.3952 -27.4569 38.3413 -29.8895 -25.8163 TIMING: 737400 CPU: 2142.21, 0.0029029/step Wall: 2142.21, 0.0029029/step, 3.43719 hours remaining, 204.402344 MB of memory in use. ENERGY: 737400 758.9413 2119.7104 1964.9698 118.3772 -206601.7263 17925.4950 0.0000 0.0000 34453.8442 -149260.3885 300.8940 -183714.2327 -149165.0098 299.3593 208.9609 243.8459 555696.8643 11.5765 11.6092 PRESSURE: 737600 84.4497 32.343 -138.264 32.3438 365.795 38.0287 -138.265 38.0289 -222.175 GPRESSURE: 737600 140.903 53.0962 -116.923 5.80408 434.38 44.7214 -162.553 61.3391 -238.673 PRESSAVG: 737600 -20.9368 -28.6735 24.9348 -28.6736 77.5666 -26.2195 24.9348 -26.2194 -47.339 GPRESSAVG: 737600 -22.6315 -29.7885 24.033 -27.3837 78.4146 -28.0319 24.5559 -26.689 -46.201 TIMING: 737600 CPU: 2142.79, 0.00289996/step Wall: 2142.79, 0.00289996/step, 3.43355 hours remaining, 204.402344 MB of memory in use. ENERGY: 737600 714.8189 2101.9567 1960.4330 117.7060 -206210.4616 17931.2054 0.0000 0.0000 34068.5891 -149315.7526 297.5295 -183384.3417 -149218.1247 298.7926 76.0233 112.2035 555145.8668 3.0969 3.1940 PRESSURE: 737800 241.987 -9.55888 76.2311 -9.55937 -217.093 -68.7311 76.2304 -68.7311 89.2817 GPRESSURE: 737800 288.97 -99.2289 114.387 28.9564 -167.855 9.6005 91.1826 -79.4501 98.9452 PRESSAVG: 737800 56.925 -11.9562 16.2438 -11.9561 59.5439 -17.6686 16.2439 -17.6686 -79.206 GPRESSAVG: 737800 56.9627 -12.5797 15.8514 -12.5983 60.0757 -17.2666 15.1319 -16.0747 -80.1273 TIMING: 737800 CPU: 2143.37, 0.00290769/step Wall: 2143.37, 0.00290769/step, 3.44254 hours remaining, 204.468750 MB of memory in use. ENERGY: 737800 721.5205 2087.0184 1970.0948 96.5172 -206374.4653 17853.7256 0.0000 0.0000 34273.6198 -149371.9690 299.3200 -183645.5888 -149277.5635 298.4457 38.0586 73.3534 554878.9851 12.4210 12.3037 PRESSURE: 738000 -205.059 89.4565 -24.9845 89.4561 -225.176 -121.114 -24.9838 -121.114 -74.1851 GPRESSURE: 738000 -157.853 -10.6728 23.5349 176.98 -159.228 -69.2838 -53.8659 -160.216 -83.5963 PRESSAVG: 738000 -36.2923 -25.0391 22.9746 -25.039 108.26 -50.9956 22.9745 -50.9957 -67.4802 GPRESSAVG: 738000 -36.2844 -24.9334 25.0468 -22.2268 108.306 -49.4268 23.9704 -52.7239 -67.3543 TIMING: 738000 CPU: 2143.95, 0.00289864/step Wall: 2143.95, 0.00289864/step, 3.43167 hours remaining, 204.468750 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: 738000 747.4559 2117.1494 1977.2941 105.6930 -205601.7778 17394.1390 0.0000 0.0000 34014.7101 -149245.3364 297.0589 -183260.0465 -149156.5905 299.1287 -168.1401 -133.5592 557802.7095 1.4959 1.5559 PRESSURE: 738200 -90.5727 -9.58862 -0.0920812 -9.58878 106.435 59.9278 -0.0927206 59.9282 -102.41 GPRESSURE: 738200 -66.2651 15.963 26.0949 -28.4964 169.487 136.393 25.1708 122.149 -88.2981 PRESSAVG: 738200 30.9075 11.3282 -7.57018 11.3281 -26.9488 -36.1419 -7.57027 -36.1419 -35.978 GPRESSAVG: 738200 31.3945 13.5506 -10.4023 8.07166 -25.4692 -37.08 -6.54999 -34.6618 -37.6949 TIMING: 738200 CPU: 2144.53, 0.00289695/step Wall: 2144.53, 0.00289695/step, 3.4295 hours remaining, 204.468750 MB of memory in use. ENERGY: 738200 732.1576 2067.3567 1978.9045 109.9378 -205915.9449 17527.1477 0.0000 0.0000 34186.4207 -149314.0199 298.5585 -183500.4406 -149218.2883 298.8269 -28.8493 4.9745 555934.0700 -10.6731 -10.5899 PRESSURE: 738400 -247.158 106.339 -116.803 106.341 -211.229 -80.6316 -116.803 -80.631 -125.103 GPRESSURE: 738400 -207.474 80.8799 -157.902 102.612 -233.967 -78.0209 -62.0187 -9.73637 -60.2252 PRESSAVG: 738400 47.018 27.6547 -30.6965 27.6545 -39.3974 19.5497 -30.6965 19.5497 52.8099 GPRESSAVG: 738400 47.0316 27.1673 -29.0393 29.4627 -41.236 20.6119 -31.1452 17.3331 54.8782 TIMING: 738400 CPU: 2145.11, 0.00289796/step Wall: 2145.11, 0.00289796/step, 3.43054 hours remaining, 204.468750 MB of memory in use. ENERGY: 738400 741.2822 2038.4563 1949.0577 112.1560 -205996.2461 17458.7294 0.0000 0.0000 34450.0891 -149246.4755 300.8612 -183696.5646 -149151.2991 299.4010 -194.4968 -167.2224 556326.8709 20.1435 20.2246 PRESSURE: 738600 197.548 137.911 -117.337 137.911 392.598 -65.7212 -117.337 -65.7213 33.1212 GPRESSURE: 738600 194.659 129.682 -227.382 217.738 430.972 -55.1361 9.11388 -65.7578 95.1308 PRESSAVG: 738600 17.7585 48.6519 -42.341 48.6519 -17.7793 4.13135 -42.341 4.1315 24.2635 GPRESSAVG: 738600 16.4951 48.7208 -42.3943 45.5388 -17.3741 2.28318 -41.1146 6.92268 25.4058 TIMING: 738600 CPU: 2145.69, 0.00289529/step Wall: 2145.69, 0.00289529/step, 3.42722 hours remaining, 204.468750 MB of memory in use. ENERGY: 738600 716.9485 2122.7651 1980.6410 110.6881 -206319.8566 18069.8883 0.0000 0.0000 34217.5544 -149101.3711 298.8304 -183318.9256 -149002.6228 299.7357 207.7560 240.2538 555922.8349 8.0809 8.1756 PRESSURE: 738800 -143.179 82.6416 -33.0125 82.6418 -127.496 56.1209 -33.0123 56.1216 60.7603 GPRESSURE: 738800 -91.9326 187.213 24.3052 -65.4082 -122.366 38.162 -17.4238 92.7692 112.933 PRESSAVG: 738800 46.1095 46.8167 -23.5321 46.8168 -62.6017 -13.252 -23.532 -13.252 26.4426 GPRESSAVG: 738800 47.2577 45.8164 -23.0675 49.873 -62.7 -14.0224 -25.8915 -13.6086 26.0639 TIMING: 738800 CPU: 2146.27, 0.00289888/step Wall: 2146.27, 0.00289888/step, 3.43131 hours remaining, 204.468750 MB of memory in use. ENERGY: 738800 737.9436 2157.8552 1950.9452 110.3678 -206083.8142 17650.9263 0.0000 0.0000 34403.6758 -149072.1004 300.4559 -183475.7762 -148975.1832 300.2127 -69.9714 -33.7884 556558.8784 3.3168 3.5405 PRESSURE: 739000 -62.6287 -109.035 -4.7779 -109.034 36.0612 15.3689 -4.77733 15.3689 37.2517 GPRESSURE: 739000 -18.113 -110.952 49.5411 -129.111 75.5412 82.1431 75.2739 -50.6724 63.3113 PRESSAVG: 739000 -46.1679 -6.3369 -47.2101 -6.33697 -2.46332 20.7853 -47.21 20.7852 82.4758 GPRESSAVG: 739000 -47.8029 -6.63943 -47.0411 -7.29452 -0.134187 21.8998 -46.4355 21.3213 81.7523 TIMING: 739000 CPU: 2146.84, 0.00287983/step Wall: 2146.84, 0.00287983/step, 3.4086 hours remaining, 204.468750 MB of memory in use. ENERGY: 739000 763.6917 2121.2508 1957.3867 112.4147 -206519.7677 17942.5833 0.0000 0.0000 34285.3745 -149337.0660 299.4227 -183622.4405 -149240.5967 298.9573 3.5614 40.2465 557141.0872 11.2815 11.2717 PRESSURE: 739200 -88.7963 -138.056 -120.536 -138.056 202.39 4.00601 -120.535 4.00667 -63.6243 GPRESSURE: 739200 -39.3191 -168.828 -42.4897 -75.1357 266.258 -18.6746 -81.39 11.0244 -68.9089 PRESSAVG: 739200 42.8568 28.5496 5.06107 28.5496 -10.5806 -18.2007 5.06107 -18.2008 -17.4695 GPRESSAVG: 739200 44.7315 29.9568 4.51256 29.7212 -13.8256 -20.2982 6.25502 -16.3645 -16.113 TIMING: 739200 CPU: 2147.42, 0.00289669/step Wall: 2147.42, 0.00289669/step, 3.42839 hours remaining, 204.468750 MB of memory in use. ENERGY: 739200 715.1510 2060.6712 1973.6056 106.5067 -206161.9933 17766.1620 0.0000 0.0000 34241.8309 -149298.0658 299.0424 -183539.8967 -149200.2002 299.2999 16.6566 52.6767 558211.9441 4.9356 4.9310 PRESSURE: 739400 -122.292 74.1084 121.881 74.1091 13.4475 -20.3903 121.879 -20.391 96.1172 GPRESSURE: 739400 -89.6728 42.9603 40.6893 87.5207 46.4094 -31.2887 119.4 18.656 128.669 PRESSAVG: 739400 -9.69842 58.4582 46.2944 58.4582 12.6771 7.15798 46.2944 7.15796 -3.39634 GPRESSAVG: 739400 -10.863 56.2955 44.472 57.2064 14.5644 9.28943 46.5339 5.24443 -4.74372 TIMING: 739400 CPU: 2148, 0.00287714/step Wall: 2148, 0.00287714/step, 3.4051 hours remaining, 204.468750 MB of memory in use. ENERGY: 739400 725.9524 2085.9305 1969.1378 124.0319 -206740.5767 17998.6403 0.0000 0.0000 34446.4777 -149390.4062 300.8297 -183836.8839 -149295.6736 298.8955 -4.2423 28.4686 557635.3723 -0.1392 -0.3474 PRESSURE: 739600 -40.5879 -165.781 -145.853 -165.78 -77.9495 -72.7354 -145.855 -72.7352 172.783 GPRESSURE: 739600 18.6849 -100.379 -193.817 -253.649 -52.9475 -49.4238 -120.041 -94.311 186.984 PRESSAVG: 739600 6.88552 31.7097 17.7168 31.7098 -85.1411 22.2391 17.7168 22.2391 72.2436 GPRESSAVG: 739600 7.79583 34.2913 19.0153 32.9132 -84.5301 22.2317 16.9498 21.8587 70.9215 TIMING: 739600 CPU: 2148.57, 0.00287372/step Wall: 2148.57, 0.00287372/step, 3.40089 hours remaining, 204.468750 MB of memory in use. ENERGY: 739600 794.8055 2152.7312 1960.5560 119.1812 -206821.2831 18006.5928 0.0000 0.0000 34297.4750 -149489.9414 299.5284 -183787.4164 -149399.8650 298.6885 18.0817 50.9070 556626.8088 -2.0040 -1.9376 PRESSURE: 739800 40.8133 -76.4316 60.5589 -76.4316 -86.2974 -60.8826 60.5585 -60.8844 160.133 GPRESSURE: 739800 57.7455 -71.4748 110.86 -47.707 -48.4381 -67.2711 -17.5388 -84.9017 207.703 PRESSAVG: 739800 43.3274 -61.1717 -39.455 -61.1718 -26.2841 -9.25037 -39.455 -9.25029 1.82535 GPRESSAVG: 739800 43.1693 -62.4206 -39.168 -61.8105 -28.1974 -9.88864 -41.6109 -9.29027 3.91327 TIMING: 739800 CPU: 2149.15, 0.00287198/step Wall: 2149.15, 0.00287198/step, 3.39867 hours remaining, 204.468750 MB of memory in use. ENERGY: 739800 731.2160 2091.9708 1949.6986 113.1275 -206300.2811 17843.0366 0.0000 0.0000 34050.7899 -149520.4418 297.3740 -183571.2317 -149431.7651 298.5584 38.2164 72.3369 557885.2041 6.2896 6.2951 PRESSURE: 740000 -176.386 67.7896 -279.046 67.789 -81.1269 37.8848 -279.046 37.8845 -334.833 GPRESSURE: 740000 -184.815 58.2537 -256.782 87.1372 6.86375 31.2247 -309.391 51.8727 -311.32 PRESSAVG: 740000 37.8793 -14.962 -32.699 -14.9619 -64.6664 16.4617 -32.699 16.4619 50.3406 GPRESSAVG: 740000 37.0172 -14.7543 -31.0346 -16.4698 -63.0719 18.638 -32.699 15.7926 49.7906 TIMING: 740000 CPU: 2149.72, 0.00287514/step Wall: 2149.72, 0.00287514/step, 3.40224 hours remaining, 204.468750 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: 740000 795.5013 2123.9695 1961.8237 109.3872 -206163.5771 17617.6612 0.0000 0.0000 34037.3613 -149517.8730 297.2567 -183555.2343 -149429.3829 297.9769 -197.4489 -163.0902 557689.2088 7.8512 7.9120 PRESSURE: 740200 64.5457 -48.6592 176.061 -48.6584 -229.507 -174.63 176.061 -174.629 36.722 GPRESSURE: 740200 101.709 32.8511 66.3901 -44.2967 -187.778 -101.047 237.936 -182.587 63.7627 PRESSAVG: 740200 75.8097 -13.0777 -17.5134 -13.0778 -18.635 -83.4031 -17.5135 -83.4031 -36.25 GPRESSAVG: 740200 77.6844 -13.9691 -18.1446 -11.765 -20.476 -85.9038 -16.2819 -82.8904 -36.3942 TIMING: 740200 CPU: 2150.3, 0.00288047/step Wall: 2150.3, 0.00288047/step, 3.4084 hours remaining, 204.468750 MB of memory in use. ENERGY: 740200 726.4901 2120.6534 1966.5129 112.9748 -206638.3068 17885.2511 0.0000 0.0000 34164.6799 -149661.7446 298.3686 -183826.4245 -149560.9371 298.5002 -42.7463 -7.4354 556748.2982 6.9749 6.9381 LDB: ============= START OF LOAD BALANCING ============== 2153.76 LDB: ============== END OF LOAD BALANCING =============== 2153.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2153.76 LDB: ============= START OF LOAD BALANCING ============== 2154.05 LDB: Largest compute 4827 load 0.028120 is 23.9% of average load 0.117562 LDB: Average compute 0.001726 is 1.5% of average load 0.117562 LDB: TIME 2154.05 LOAD: AVG 0.117562 MAX 0.179717 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2154.06 LOAD: AVG 0.117562 MAX 0.179717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.656 MB LDB: TIME 2154.06 LOAD: AVG 0.117562 MAX 0.179717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.656 MB LDB: ============== END OF LOAD BALANCING =============== 2154.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2154.06 PRESSURE: 740400 -55.0491 -100.832 -44.4757 -100.83 -101.018 58.434 -44.4771 58.4352 105.381 GPRESSURE: 740400 -99.7335 -125.293 -36.8104 -39.7445 -87.6775 72.064 -59.2855 58.4053 236.114 PRESSAVG: 740400 25.3926 -19.1756 11.1429 -19.1757 -5.09086 55.7206 11.1429 55.7206 5.35608 GPRESSAVG: 740400 24.3095 -17.5552 10.3306 -20.1488 -3.78966 56.6113 10.2404 58.6489 5.16142 TIMING: 740400 CPU: 2150.89, 0.00294567/step Wall: 2150.89, 0.00294567/step, 3.48538 hours remaining, 203.937500 MB of memory in use. ENERGY: 740400 700.8886 2118.5593 1972.5935 123.5947 -206230.3028 17709.7418 0.0000 0.0000 33890.9776 -149713.9474 295.9783 -183604.9250 -149620.0055 297.2928 -16.8954 16.2344 556927.5372 8.5526 8.5604 PRESSURE: 740600 -60.2119 167.249 -49.1139 167.248 92.5947 110.235 -49.1142 110.235 -156.425 GPRESSURE: 740600 -36.937 213.505 -8.01572 229.972 189.309 88.8926 -101.42 35.118 -168.75 PRESSAVG: 740600 -15.4118 3.16934 -30.0621 3.16932 9.99549 -9.02728 -30.0621 -9.02728 -29.7569 GPRESSAVG: 740600 -16.4607 2.03628 -31.4011 4.00955 10.6428 -8.34291 -29.0309 -12.3852 -29.2645 TIMING: 740600 CPU: 2151.47, 0.00289907/step Wall: 2151.47, 0.00289907/step, 3.43008 hours remaining, 204.195312 MB of memory in use. ENERGY: 740600 737.5836 2099.8529 1967.8485 111.6734 -206519.6521 17877.6690 0.0000 0.0000 34141.3068 -149583.7178 298.1645 -183725.0246 -149486.0075 297.5450 -41.3474 -5.4591 557222.3976 -11.7244 -11.6941 PRESSURE: 740800 26.0415 -131.8 -57.1553 -131.799 91.9085 -28.3015 -57.155 -28.3022 -7.92715 GPRESSURE: 740800 40.255 -149.922 -100.553 -83.5482 127.662 -29.2275 -9.82203 9.78991 36.8527 PRESSAVG: 740800 -32.4876 3.5078 -39.8342 3.50775 25.9612 25.2834 -39.8342 25.2835 16.2217 GPRESSAVG: 740800 -31.846 4.549 -38.0107 4.33903 25.4532 24.0881 -40.5067 24.412 15.6501 TIMING: 740800 CPU: 2152.05, 0.00290174/step Wall: 2152.05, 0.00290174/step, 3.43308 hours remaining, 204.195312 MB of memory in use. ENERGY: 740800 700.3904 2040.7664 1995.4921 103.9918 -206390.2839 17775.3421 0.0000 0.0000 34182.7455 -149591.5555 298.5264 -183774.3011 -149494.6785 298.3103 36.6743 68.2567 558399.7164 3.2318 3.0858 PRESSURE: 741000 136.048 77.5975 -98.6682 77.5982 -50.1317 -3.02254 -98.6673 -3.02271 -70.708 GPRESSURE: 741000 193.278 102.165 -97.6933 109.121 -23.2098 48.957 -0.647977 -45.0061 -56.4614 PRESSAVG: 741000 27.1242 23.8228 45.2292 23.8228 -31.3427 50.7161 45.2292 50.7161 -6.19554 GPRESSAVG: 741000 27.7723 23.2717 43.6467 21.6255 -32.6365 48.6981 45.0332 52.2816 -5.61117 TIMING: 741000 CPU: 2152.63, 0.00291796/step Wall: 2152.63, 0.00291796/step, 3.45211 hours remaining, 204.195312 MB of memory in use. ENERGY: 741000 700.7840 2127.5617 1981.7769 119.9559 -206568.9639 17925.4361 0.0000 0.0000 34088.7339 -149624.7153 297.7054 -183713.4492 -149529.4202 297.3716 5.0693 37.8690 557288.2607 -3.4714 -3.4918 PRESSURE: 741200 -74.2431 -66.3795 10.7288 -66.3801 -13.1617 15.3798 10.7274 15.3789 -292.771 GPRESSURE: 741200 -50.8577 -17.6314 74.509 -37.128 75.2445 114.656 93.3338 -32.5382 -305.046 PRESSAVG: 741200 85.5355 60.5437 60.5498 60.5436 -79.0391 12.4269 60.5498 12.4269 -13.3488 GPRESSAVG: 741200 85.7947 64.1951 63.6098 62.2285 -80.2783 13.6442 60.8677 12.6261 -12.5646 TIMING: 741200 CPU: 2153.21, 0.00289085/step Wall: 2153.21, 0.00289085/step, 3.41987 hours remaining, 204.195312 MB of memory in use. ENERGY: 741200 764.5629 2090.1715 1982.1840 119.9633 -206276.1552 17888.5116 0.0000 0.0000 34047.5495 -149383.2124 297.3457 -183430.7620 -149290.7969 297.9448 -126.7253 -93.5530 559270.6066 -2.2841 -2.3494 PRESSURE: 741400 -0.188628 164.94 187.721 164.94 190.935 55.4864 187.719 55.4859 150.78 GPRESSURE: 741400 45.7128 169.318 185.115 134.024 225.751 74.4652 142.702 -1.54662 165.386 PRESSAVG: 741400 -0.0793373 29.9221 -1.42963 29.9221 23.9255 8.99946 -1.42973 8.99949 -28.7708 GPRESSAVG: 741400 -0.0486791 25.6008 -2.8395 31.2326 24.6539 9.41155 -1.70463 6.50653 -29.7996 TIMING: 741400 CPU: 2153.79, 0.0028944/step Wall: 2153.79, 0.0028944/step, 3.42391 hours remaining, 204.195312 MB of memory in use. ENERGY: 741400 712.1087 2114.8852 2005.2615 109.9640 -206664.8510 17976.7383 0.0000 0.0000 34055.8337 -149690.0597 297.4181 -183745.8934 -149598.5936 298.2527 113.8419 145.6165 558147.7079 -1.6415 -1.7315 PRESSURE: 741600 145.669 -129.9 -49.8156 -129.898 238.947 104.841 -49.8152 104.84 38.3331 GPRESSURE: 741600 210.485 -136.746 -41.5869 -150.858 274.818 194.739 -82.1625 84.653 29.9467 PRESSAVG: 741600 10.7053 -9.96128 7.26273 -9.9614 -48.8088 18.6915 7.26271 18.6915 12.7752 GPRESSAVG: 741600 11.2691 -9.51346 7.59049 -11.4791 -49.0554 17.3138 7.95711 21.2745 12.4285 TIMING: 741600 CPU: 2154.37, 0.00291051/step Wall: 2154.37, 0.00291051/step, 3.44281 hours remaining, 204.207031 MB of memory in use. ENERGY: 741600 702.7347 2086.4408 1977.7706 121.5875 -206653.7304 18039.9182 0.0000 0.0000 33969.1832 -149756.0953 296.6613 -183725.2785 -149665.6449 297.4186 140.9828 171.7498 557399.6320 -8.4428 -8.4526 PRESSURE: 741800 -27.148 -38.0014 39.3149 -38.0009 118.159 187.983 39.3147 187.984 -343.903 GPRESSURE: 741800 34.9293 -122.678 14.4396 56.307 142.635 179.227 24.8105 191.182 -337.298 PRESSAVG: 741800 94.5813 53.874 28.1429 53.874 -11.8516 23.8533 28.1428 23.8533 -73.4776 GPRESSAVG: 741800 92.7376 54.0258 25.6974 53.4098 -11.9032 23.1459 27.7778 23.2155 -72.1434 TIMING: 741800 CPU: 2154.95, 0.00289657/step Wall: 2154.95, 0.00289657/step, 3.42616 hours remaining, 204.207031 MB of memory in use. ENERGY: 741800 721.5027 2130.7845 1984.1872 122.3738 -206478.9392 17900.0736 0.0000 0.0000 33968.7858 -149651.2316 296.6579 -183620.0174 -149549.3741 297.1617 -84.2975 -53.2445 558396.9741 3.0840 2.8970 PRESSURE: 742000 -312.285 22.7191 67.533 22.718 -102.035 -60.3855 67.5339 -60.3845 12.9986 GPRESSURE: 742000 -284.467 107.127 20.8135 -33.6312 -29.9922 -75.0974 89.1842 -55.4454 10.1256 PRESSAVG: 742000 -17.0353 34.0856 18.1336 34.0856 19.6433 0.77209 18.1336 0.772052 -16.6763 GPRESSAVG: 742000 -16.2968 36.2758 19.3054 33.6938 19.1297 2.26485 19.2409 0.960016 -17.3502 TIMING: 742000 CPU: 2155.53, 0.00290916/step Wall: 2155.53, 0.00290916/step, 3.44089 hours remaining, 204.265625 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: 742000 711.9066 2099.7165 1981.6721 125.3632 -206232.7649 17546.3319 0.0000 0.0000 34020.0565 -149747.7182 297.1056 -183767.7746 -149653.5347 296.9617 -133.7739 -101.4445 556848.8854 -4.6895 -4.8391 PRESSURE: 742200 -86.7423 116.177 147.578 116.178 -35.5328 -69.9974 147.577 -69.9969 4.3597 GPRESSURE: 742200 -72.4119 159.637 99.9531 16.0049 38.444 -113.151 142.167 7.45884 16.0962 PRESSAVG: 742200 -15.1041 -47.0466 22.8307 -47.0467 16.8781 11.5041 22.8308 11.504 -8.59591 GPRESSAVG: 742200 -15.0966 -50.1685 23.8789 -46.4126 17.9884 9.52939 22.587 12.8404 -9.42131 TIMING: 742200 CPU: 2156.11, 0.0029059/step Wall: 2156.11, 0.0029059/step, 3.43687 hours remaining, 204.265625 MB of memory in use. ENERGY: 742200 752.9520 2053.9710 1979.7019 110.0543 -206324.9746 17780.9536 0.0000 0.0000 34054.2185 -149593.1234 297.4040 -183647.3419 -149490.8868 297.1301 -39.3052 -5.9572 557134.2351 -2.2739 -2.1765 PRESSURE: 742400 -32.3209 -35.7248 230.203 -35.7241 -213.372 -28.5925 230.203 -28.5931 -227.759 GPRESSURE: 742400 41.9599 -82.877 206.805 12.9507 -221.321 -63.5626 229.036 17.6123 -195.536 PRESSAVG: 742400 52.0019 -12.0321 65.6117 -12.032 -41.9627 0.420674 65.6118 0.420566 -44.7772 GPRESSAVG: 742400 51.9962 -9.76578 65.8757 -10.0301 -41.9826 3.19421 64.6679 -1.72722 -44.8136 TIMING: 742400 CPU: 2156.69, 0.00289788/step Wall: 2156.69, 0.00289788/step, 3.42723 hours remaining, 204.265625 MB of memory in use. ENERGY: 742400 791.9515 2057.2234 1975.2721 98.9530 -206492.8529 17784.4115 0.0000 0.0000 34412.0658 -149372.9755 300.5291 -183785.0414 -149279.2785 298.2499 -157.8174 -124.9655 556232.8961 -11.5793 -11.6000 PRESSURE: 742600 -160.612 -27.7275 60.5572 -27.7275 39.1559 -49.1094 60.5569 -49.1109 -54.2707 GPRESSURE: 742600 -91.3015 -84.2162 40.3292 40.6382 102.394 -98.7731 104.728 -11.6432 -88.0616 PRESSAVG: 742600 -29.6147 -10.5012 -2.46375 -10.5012 26.5662 17.7782 -2.46365 17.7782 9.45611 GPRESSAVG: 742600 -29.4133 -12.7599 -2.64045 -10.2578 25.9635 17.7903 -1.86627 18.5339 9.78756 TIMING: 742600 CPU: 2157.27, 0.00290115/step Wall: 2157.27, 0.00290115/step, 3.43093 hours remaining, 204.265625 MB of memory in use. ENERGY: 742600 751.5184 2094.9663 1978.9359 103.4897 -206480.1088 17821.6706 0.0000 0.0000 34227.2700 -149502.2579 298.9153 -183729.5279 -149401.8536 298.7631 -58.5757 -25.6565 555854.0305 2.1359 2.1126 PRESSURE: 742800 -175.692 53.7035 105.796 53.7042 88.1534 -86.4833 105.796 -86.4847 70.4603 GPRESSURE: 742800 -69.6775 59.1822 120.261 -13.8418 40.1083 -103.944 103.406 -175.526 90.7131 PRESSAVG: 742800 -0.719804 7.54161 53.5739 7.5417 17.0305 -26.1331 53.5738 -26.1331 -30.1244 GPRESSAVG: 742800 -1.24654 10.9529 53.0857 8.72031 17.2751 -27.3009 53.1317 -26.9096 -29.517 TIMING: 742800 CPU: 2157.85, 0.00289621/step Wall: 2157.85, 0.00289621/step, 3.42493 hours remaining, 204.265625 MB of memory in use. ENERGY: 742800 750.1884 2037.4922 1962.4247 121.2236 -206279.5886 17864.3967 0.0000 0.0000 34052.9560 -149490.9070 297.3929 -183543.8630 -149399.5450 298.2452 -5.6927 20.3813 556352.3091 -4.6046 -4.4962 PRESSURE: 743000 41.5979 89.2939 -46.8026 89.2936 136.938 -88.3105 -46.8016 -88.3085 314.12 GPRESSURE: 743000 75.9751 59.3608 -48.3727 103.367 144.464 -54.869 -129.374 -89.9529 367.176 PRESSAVG: 743000 -16.1853 -33.8445 43.2568 -33.8445 -5.78708 10.1221 43.2568 10.1221 26.4883 GPRESSAVG: 743000 -14.6747 -35.1398 44.5839 -37.1446 -6.05709 11.8293 42.0179 9.60455 25.124 TIMING: 743000 CPU: 2158.43, 0.00291828/step Wall: 2158.43, 0.00291827/step, 3.45086 hours remaining, 204.265625 MB of memory in use. ENERGY: 743000 713.1191 2082.5431 1997.5717 113.4840 -206821.1352 17980.8740 0.0000 0.0000 34488.4266 -149445.1168 301.1960 -183933.5433 -149347.3355 298.3409 164.2186 195.8716 553814.2899 1.5053 1.4641 PRESSURE: 743200 -11.039 83.3626 50.5559 83.3625 -5.33542 -87.2552 50.5561 -87.2535 11.7993 GPRESSURE: 743200 -5.72133 85.3194 44.0935 174.087 4.17896 -28.3504 104.096 -125.228 98.0888 PRESSAVG: 743200 31.1851 -1.84923 -45.7802 -1.84923 -44.4933 -35.9681 -45.7803 -35.9682 14.3767 GPRESSAVG: 743200 29.6811 -3.07507 -46.2393 0.70422 -43.9865 -36.489 -45.4229 -36.4787 15.3194 TIMING: 743200 CPU: 2159.01, 0.00289149/step Wall: 2159.01, 0.00289149/step, 3.41903 hours remaining, 204.265625 MB of memory in use. ENERGY: 743200 767.7153 2086.7995 2000.5374 109.6039 -206547.0807 17932.2506 0.0000 0.0000 34228.6299 -149421.5441 298.9271 -183650.1740 -149327.7103 299.0330 -1.5251 32.1821 555607.6810 0.3562 0.3380 PRESSURE: 743400 -117.929 168.623 -156.677 168.623 -15.4797 -22.6387 -156.677 -22.6383 -69.1148 GPRESSURE: 743400 -103.992 205.929 -78.8246 162.998 -7.15828 10.8523 -164.59 -28.2976 11.0067 PRESSAVG: 743400 29.4495 37.7522 -38.1098 37.7522 11.1052 -49.2618 -38.1098 -49.2619 11.6705 GPRESSAVG: 743400 29.6411 38.6674 -37.4282 37.8364 10.2394 -52.0341 -37.9123 -47.4047 12.7399 TIMING: 743400 CPU: 2159.59, 0.0029005/step Wall: 2159.59, 0.0029005/step, 3.42952 hours remaining, 204.265625 MB of memory in use. ENERGY: 743400 769.1919 2064.2163 2009.7986 116.5389 -206194.2337 17721.2477 0.0000 0.0000 34175.9005 -149337.3398 298.4666 -183513.2403 -149236.9901 299.0412 -67.5079 -33.3812 557058.3023 17.4084 17.5401 PRESSURE: 743600 -83.8628 2.75617 -111.525 2.75524 37.2579 46.8392 -111.525 46.8389 156.439 GPRESSURE: 743600 -7.85575 6.05084 -118.675 3.71544 56.4795 19.3237 -126.352 75.4243 138.893 PRESSAVG: 743600 -2.89976 0.0783265 -11.9775 0.0782959 19.763 4.74771 -11.9774 4.74786 -16.3789 GPRESSAVG: 743600 -1.81556 0.548744 -13.301 0.0192353 20.192 9.0086 -10.7025 1.28167 -18.5843 TIMING: 743600 CPU: 2160.17, 0.00290481/step Wall: 2160.17, 0.00290481/step, 3.43445 hours remaining, 204.265625 MB of memory in use. ENERGY: 743600 736.7777 2128.0428 1951.1735 110.6165 -206622.1569 18024.5932 0.0000 0.0000 34261.5973 -149409.3560 299.2151 -183670.9533 -149311.8814 299.0138 36.6112 62.5055 556604.7013 0.1615 -0.0693 PRESSURE: 743800 -75.6392 -87.3009 64.7108 -87.3009 -123.23 -188.854 64.7098 -188.853 -118.453 GPRESSURE: 743800 -26.4818 -59.2237 146.621 -57.3524 -95.8122 -162.613 21.9513 -272.278 -99.2328 PRESSAVG: 743800 -37.2349 -16.2462 -32.9848 -16.2461 55.3528 -26.9456 -32.9847 -26.9457 -16.1004 GPRESSAVG: 743800 -39.0768 -16.527 -32.3003 -17.524 55.3268 -27.3546 -36.695 -25.9512 -14.4478 TIMING: 743800 CPU: 2160.75, 0.00290318/step Wall: 2160.75, 0.00290318/step, 3.43236 hours remaining, 204.265625 MB of memory in use. ENERGY: 743800 783.3830 2064.7025 1975.3019 120.8039 -206462.6064 17773.0184 0.0000 0.0000 34411.8246 -149333.5721 300.5270 -183745.3967 -149237.0043 299.4092 -105.7742 -73.8423 556823.1214 0.6725 0.6007 PRESSURE: 744000 48.8055 -196.583 -77.4849 -196.583 -61.8929 119.285 -77.484 119.285 -6.49849 GPRESSURE: 744000 73.6147 -152.118 -111.568 -242.697 -20.4825 180.603 8.63272 149.305 26.9623 PRESSAVG: 744000 -29.6358 -37.4989 41.433 -37.499 11.2172 -17.99 41.4329 -17.9901 54.8244 GPRESSAVG: 744000 -28.7179 -36.7976 40.7591 -37.1747 10.9972 -22.3828 43.9193 -14.9173 53.8022 TIMING: 744000 CPU: 2161.34, 0.00290733/step Wall: 2161.34, 0.00290733/step, 3.43711 hours remaining, 204.265625 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: 744000 753.9572 2089.9432 1967.8491 104.0753 -206182.4896 17615.5397 0.0000 0.0000 34154.8670 -149496.2580 298.2829 -183651.1250 -149406.4233 299.4283 -6.5286 26.6982 555859.3959 12.1352 12.0272 PRESSURE: 744200 5.69103 -99.5366 -9.36833 -99.5375 -61.9177 -16.5593 -9.36913 -16.5603 -14.7514 GPRESSURE: 744200 55.091 -20.3815 -5.70354 -139.919 -20.8682 4.4923 26.3026 -3.8785 5.95388 PRESSAVG: 744200 13.353 18.1629 -27.9795 18.1629 -64.0523 -24.1974 -27.9795 -24.1973 48.9294 GPRESSAVG: 744200 12.3912 15.8145 -27.3602 19.1835 -64.2961 -21.1791 -26.9597 -27.7055 49.2219 TIMING: 744200 CPU: 2161.91, 0.00288464/step Wall: 2161.91, 0.00288464/step, 3.41012 hours remaining, 204.265625 MB of memory in use. ENERGY: 744200 771.6498 2108.4484 2005.4682 108.9017 -206470.0004 17885.9740 0.0000 0.0000 34151.8605 -149437.6978 298.2567 -183589.5583 -149336.5345 298.8160 -23.6594 13.3922 555826.4897 -0.5900 -0.8943 LDB: ============= START OF LOAD BALANCING ============== 2165.38 LDB: ============== END OF LOAD BALANCING =============== 2165.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2165.38 LDB: ============= START OF LOAD BALANCING ============== 2165.67 LDB: Largest compute 4827 load 0.028197 is 24.0% of average load 0.117562 LDB: Average compute 0.001722 is 1.5% of average load 0.117562 LDB: TIME 2165.67 LOAD: AVG 0.117562 MAX 0.178821 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.996 MB LDB: TIME 2165.67 LOAD: AVG 0.117562 MAX 0.178821 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.203 MB LDB: TIME 2165.67 LOAD: AVG 0.117562 MAX 0.178821 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2165.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2165.68 PRESSURE: 744400 -22.7398 81.6698 -88.6263 81.6698 30.7367 174.624 -88.6264 174.625 -117.43 GPRESSURE: 744400 -13.5876 27.7343 -117.078 12.0223 85.3858 153.729 -15.9613 135.661 -78.0282 PRESSAVG: 744400 -18.8958 21.3259 -13.4636 21.3258 3.49517 -50.682 -13.4636 -50.682 3.57826 GPRESSAVG: 744400 -19.676 20.8555 -13.3518 19.7182 4.97727 -52.1975 -14.4601 -50.0618 2.89298 TIMING: 744400 CPU: 2162.5, 0.00296113/step Wall: 2162.5, 0.00296113/step, 3.50038 hours remaining, 204.941406 MB of memory in use. ENERGY: 744400 727.1498 2080.5417 2003.9491 126.6587 -206820.8792 17907.4792 0.0000 0.0000 34388.2105 -149586.8902 300.3208 -183975.1008 -149485.6323 298.4660 -36.4777 -2.0767 555719.9770 -3.9408 -3.9352 PRESSURE: 744600 147.801 166.759 60.318 166.759 245.541 -78.8501 60.3163 -78.8504 87.8942 GPRESSURE: 744600 205.538 182.389 118.875 142.842 239.822 -78.4987 83.9547 -28.0768 128.998 PRESSAVG: 744600 -1.33625 75.8094 23.7378 75.8094 -48.0874 9.60356 23.7378 9.60352 25.1645 GPRESSAVG: 744600 -0.0766715 76.2818 22.7349 78.2647 -49.2735 10.7896 24.766 9.58833 25.0735 TIMING: 744600 CPU: 2163.08, 0.00290093/step Wall: 2163.08, 0.00290093/step, 3.42906 hours remaining, 205.199219 MB of memory in use. ENERGY: 744600 777.6788 2047.0782 1976.5128 113.5405 -206255.5138 17954.1946 0.0000 0.0000 33961.7264 -149424.7824 296.5962 -183386.5089 -149330.9121 298.8898 160.4121 191.4522 557476.9991 -8.0864 -8.0922 PRESSURE: 744800 55.1894 36.4862 134.26 36.4869 188.878 -141.789 134.26 -141.788 -267.101 GPRESSURE: 744800 82.8142 21.0788 164.237 58.3631 187.005 -117.035 4.53353 -170.365 -194.53 PRESSAVG: 744800 -35.1178 9.7779 19.0396 9.77801 1.00108 -13.1384 19.0397 -13.1384 36.1914 GPRESSAVG: 744800 -34.5758 9.12444 19.7457 7.14976 1.10885 -15.0338 19.4672 -13.3865 35.9343 TIMING: 744800 CPU: 2163.66, 0.00289559/step Wall: 2163.66, 0.00289559/step, 3.42258 hours remaining, 205.199219 MB of memory in use. ENERGY: 744800 755.0662 2076.5871 1957.4103 119.2386 -205954.2207 17719.3268 0.0000 0.0000 34109.3449 -149217.2468 297.8854 -183326.5917 -149123.6896 298.4317 -7.6779 25.0965 556611.4782 0.6916 0.8225 PRESSURE: 745000 47.0473 -45.2106 49.2901 -45.2112 -162.148 -166.233 49.2908 -166.234 -32.15 GPRESSURE: 745000 42.4408 12.5223 124.008 -64.1467 -116.968 -143.765 68.1338 -236.173 20.1019 PRESSAVG: 745000 56.4981 12.6038 47.5421 12.6038 -12.2194 -59.7672 47.5422 -59.7672 -21.405 GPRESSAVG: 745000 56.8265 12.6806 47.8303 15.4007 -12.1751 -58.6181 45.6883 -60.88 -21.788 TIMING: 745000 CPU: 2164.24, 0.00289619/step Wall: 2164.24, 0.00289619/step, 3.42313 hours remaining, 205.199219 MB of memory in use. ENERGY: 745000 751.1363 2070.3885 1975.4867 114.1784 -206320.3395 17892.3361 0.0000 0.0000 34148.5337 -149368.2798 298.2276 -183516.8136 -149276.2052 299.1615 -49.0837 -18.1417 557659.7008 7.6246 7.6211 PRESSURE: 745200 -29.7232 -37.5298 -64.8899 -37.5295 -61.3123 -66.443 -64.8905 -66.4429 -4.82275 GPRESSURE: 745200 17.8119 -39.4109 -141.094 -72.8477 -45.9622 -92.4785 0.631999 -28.6079 25.6576 PRESSAVG: 745200 5.2395 -58.9999 -76.2439 -58.9999 -77.2861 -38.577 -76.2439 -38.5769 28.0177 GPRESSAVG: 745200 5.09643 -57.5703 -76.6885 -60.8309 -78.6389 -39.4327 -74.2735 -36.8085 29.4918 TIMING: 745200 CPU: 2164.82, 0.00289697/step Wall: 2164.82, 0.00289697/step, 3.4239 hours remaining, 205.199219 MB of memory in use. ENERGY: 745200 661.2053 2101.1666 1998.6236 112.7753 -205653.2307 17378.0614 0.0000 0.0000 34277.3799 -149124.0187 299.3529 -183401.3986 -149022.9771 298.4847 -31.9527 -0.8309 558017.9440 -14.6763 -14.6836 PRESSURE: 745400 326.381 -46.1546 76.4112 -46.1533 218.374 -53.9089 76.4121 -53.9103 195.577 GPRESSURE: 745400 357.046 -126.65 128.73 -84.5725 270.347 -19.0217 -40.021 -78.6432 197.986 PRESSAVG: 745400 33.5538 35.8054 -19.2935 35.8054 -47.2426 -41.3741 -19.2935 -41.374 -8.12259 GPRESSAVG: 745400 33.3236 36.5946 -17.4028 34.4836 -46.1254 -41.961 -20.9978 -40.1928 -9.06104 TIMING: 745400 CPU: 2165.41, 0.00291789/step Wall: 2165.41, 0.00291789/step, 3.44846 hours remaining, 205.257812 MB of memory in use. ENERGY: 745400 717.1648 2113.3242 1998.4373 115.4340 -206331.6872 18057.7434 0.0000 0.0000 34266.1645 -149063.4190 299.2549 -183329.5834 -148968.0000 298.9476 246.7776 275.1262 557839.2306 -7.2705 -7.2876 PRESSURE: 745600 50.97 -7.35062 -21.4815 -7.3513 39.0184 132.257 -21.4807 132.257 -235.726 GPRESSURE: 745600 91.3955 71.7889 -13.833 -71.9813 73.1343 119.698 -21.0136 19.8639 -201.149 PRESSAVG: 745600 20.7012 11.7798 21.7927 11.7799 24.7141 19.6659 21.7927 19.6659 -26.4429 GPRESSAVG: 745600 20.7714 10.5 20.9625 13.7114 23.981 21.2562 22.9603 17.3445 -25.4886 TIMING: 745600 CPU: 2165.99, 0.00291863/step Wall: 2165.99, 0.00291863/step, 3.44917 hours remaining, 205.257812 MB of memory in use. ENERGY: 745600 717.6606 2073.0061 1980.0072 104.6769 -205654.7616 17568.6398 0.0000 0.0000 34291.6519 -148919.1191 299.4775 -183210.7711 -148825.3966 299.2861 -48.5790 -12.2065 558622.0192 6.3241 6.4213 PRESSURE: 745800 -162.614 -47.97 51.4989 -47.9722 -273.45 -67.0027 51.499 -67.0038 -278.062 GPRESSURE: 745800 -169.08 -4.01135 -16.184 -94.0666 -188.142 -19.6388 65.3631 -67.9064 -248.306 PRESSAVG: 745800 -5.22726 52.9157 79.0425 52.9157 22.0995 2.36767 79.0425 2.3676 -8.38203 GPRESSAVG: 745800 -6.99609 55.1215 81.1627 52.7419 24.9272 3.26493 78.2039 2.21601 -8.90127 TIMING: 745800 CPU: 2166.57, 0.00292286/step Wall: 2166.57, 0.00292286/step, 3.45401 hours remaining, 205.269531 MB of memory in use. ENERGY: 745800 739.7577 2106.0485 1976.4908 107.9757 -205883.8262 17502.8129 0.0000 0.0000 34427.4128 -149023.3278 300.6632 -183450.7406 -148931.4560 299.0966 -238.0423 -201.8427 557548.6157 2.8301 3.0099 PRESSURE: 746000 -385.609 43.4345 82.2306 43.4344 -238.367 -104.049 82.2322 -104.048 -155.247 GPRESSURE: 746000 -293.874 102.257 47.7847 65.6968 -225.182 -65.4251 189.794 -4.49046 -160.664 PRESSAVG: 746000 -20.4416 3.62387 17.8711 3.62385 34.8624 -28.1803 17.8711 -28.1803 16.6983 GPRESSAVG: 746000 -18.5645 1.04182 14.9002 5.05831 33.5642 -31.4405 19.8703 -26.5553 15.921 TIMING: 746000 CPU: 2167.16, 0.00291266/step Wall: 2167.16, 0.00291266/step, 3.44179 hours remaining, 205.269531 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: 746000 737.7194 2061.0061 1978.5725 104.8181 -205806.7166 17377.7045 0.0000 0.0000 34420.2429 -149126.6531 300.6005 -183546.8960 -149019.2261 300.0255 -259.7411 -226.5737 559734.0661 10.3730 10.3069 PRESSURE: 746200 -39.9096 47.0611 -180.803 47.0621 -119.94 33.3986 -180.801 33.3979 -53.7789 GPRESSURE: 746200 33.7475 0.494448 -161.767 4.81718 -97.0667 56.9505 -221.269 -2.48883 -63.0901 PRESSAVG: 746200 20.7549 35.9537 -37.818 35.9537 -44.3378 -33.4571 -37.818 -33.4572 -9.53145 GPRESSAVG: 746200 20.8048 33.9616 -37.5383 36.183 -45.7336 -30.734 -39.096 -33.9058 -8.90843 TIMING: 746200 CPU: 2167.74, 0.00291023/step Wall: 2167.74, 0.00291023/step, 3.43876 hours remaining, 205.269531 MB of memory in use. ENERGY: 746200 729.5021 2065.1289 1967.1028 111.4497 -205987.8378 17698.5778 0.0000 0.0000 34324.5506 -149091.5259 299.7648 -183416.0765 -148984.8708 299.4572 -71.2096 -42.1364 557789.1765 -11.0381 -11.2791 PRESSURE: 746400 -150.768 13.5591 -51.6243 13.5589 173.888 -74.9529 -51.6249 -74.9526 -47.5131 GPRESSURE: 746400 -125.414 73.1542 -61.0364 12.4744 231.442 -82.7842 -79.6059 -23.2918 -22.9201 PRESSAVG: 746400 -6.21735 35.0596 -5.95987 35.0596 25.2274 -24.485 -5.95999 -24.4849 23.6613 GPRESSAVG: 746400 -7.07565 37.8178 -7.50701 32.6341 25.7953 -26.0949 -5.99089 -23.6649 24.3289 TIMING: 746400 CPU: 2168.32, 0.00291235/step Wall: 2168.32, 0.00291235/step, 3.4411 hours remaining, 205.269531 MB of memory in use. ENERGY: 746400 709.3302 2027.8973 1992.3499 120.2423 -206096.1782 17873.0735 0.0000 0.0000 34209.9651 -149163.3199 298.7641 -183373.2850 -149060.3234 299.0377 -8.1309 27.7025 559416.8104 14.2238 14.3495 PRESSURE: 746600 176.994 -55.7235 -25.4807 -55.7232 -16.8225 125.347 -25.4804 125.346 -150.97 GPRESSURE: 746600 201.663 -113.768 -42.385 -43.8077 33.0273 168.263 -49.2303 186.435 -133.59 PRESSAVG: 746600 -13.0399 14.2093 -55.6238 14.2093 108.774 0.249664 -55.6238 0.24972 -69.8782 GPRESSAVG: 746600 -11.9883 11.4164 -56.4761 15.3638 108.168 2.67059 -53.0984 -0.924996 -70.0439 TIMING: 746600 CPU: 2168.91, 0.00291939/step Wall: 2168.91, 0.00291939/step, 3.44926 hours remaining, 205.269531 MB of memory in use. ENERGY: 746600 716.8357 2057.4606 1988.9215 119.3310 -206117.2339 17751.7424 0.0000 0.0000 34350.3373 -149132.6054 299.9900 -183482.9427 -149046.6437 299.2027 3.0672 33.7000 556953.9967 8.6188 8.7119 PRESSURE: 746800 159.797 -12.1182 -28.9442 -12.1177 53.8025 57.8686 -28.9444 57.8698 98.1651 GPRESSURE: 746800 147.053 -37.5035 -5.52984 6.17761 100.757 98.725 -80.0059 50.5959 160.979 PRESSAVG: 746800 22.8033 -2.88428 27.5153 -2.88436 48.5677 -2.15214 27.5153 -2.15222 -46.6764 GPRESSAVG: 746800 21.5472 1.28751 29.5884 -5.25024 50.0931 -2.67824 23.6702 -2.63049 -47.1245 TIMING: 746800 CPU: 2169.49, 0.00290211/step Wall: 2169.49, 0.00290211/step, 3.42868 hours remaining, 205.269531 MB of memory in use. ENERGY: 746800 712.1571 2016.9416 1983.5755 123.5006 -206248.7025 17942.2489 0.0000 0.0000 34276.7625 -149193.5164 299.3475 -183470.2789 -149092.7614 299.1614 103.9216 136.2627 557580.6273 8.2315 8.1719 PRESSURE: 747000 -317.922 105.573 -226.358 105.574 -66.226 107.708 -226.358 107.709 9.33934 GPRESSURE: 747000 -245.389 132.171 -160.407 -14.6121 -50.9033 79.6264 -283.858 12.4769 18.2509 PRESSAVG: 747000 -16.7247 -7.60452 -1.74214 -7.60451 -0.994858 16.6337 -1.74209 16.6338 -4.48785 GPRESSAVG: 747000 -16.0157 -12.3498 -0.999043 -5.5325 -0.733536 18.1509 0.627948 15.6407 -5.18841 TIMING: 747000 CPU: 2170.06, 0.00289013/step Wall: 2170.06, 0.00289013/step, 3.41437 hours remaining, 205.269531 MB of memory in use. ENERGY: 747000 750.1391 2057.1230 1946.8207 125.3825 -205967.2275 17727.2527 0.0000 0.0000 34255.5966 -149104.9129 299.1626 -183360.5095 -149008.9996 298.8185 -124.9361 -92.6803 557540.0876 -7.4025 -7.3125 PRESSURE: 747200 56.066 -27.0139 -23.921 -27.0145 22.4251 -117.531 -23.9199 -117.532 198.002 GPRESSURE: 747200 122.149 -115.059 -20.9712 6.64024 -2.08438 -133.423 -61.0129 -48.2218 258.981 PRESSAVG: 747200 9.7437 -56.8661 -4.80604 -56.866 17.9114 -3.44398 -4.80592 -3.4439 0.849151 GPRESSAVG: 747200 9.5708 -53.6996 -5.30204 -56.7087 16.1255 -6.41911 -6.16622 -3.13139 2.33859 TIMING: 747200 CPU: 2170.64, 0.00286798/step Wall: 2170.64, 0.00286798/step, 3.38804 hours remaining, 205.269531 MB of memory in use. ENERGY: 747200 743.4590 2094.3092 1987.8520 121.9907 -206107.5491 17883.2151 0.0000 0.0000 34272.5487 -149004.1744 299.3107 -183276.7232 -148905.1801 298.8755 92.1643 126.3487 556805.1704 9.5014 9.3450 PRESSURE: 747400 374.396 71.1477 184.279 71.1473 38.9476 31.3799 184.279 31.3808 49.7134 GPRESSURE: 747400 387.79 44.3893 141.976 -8.31358 91.873 76.7442 197.482 28.0481 72.9336 PRESSAVG: 747400 44.3481 17.253 22.6192 17.2529 -39.8195 -16.5939 22.6192 -16.5938 -31.2745 GPRESSAVG: 747400 45.5732 15.0532 23.5082 18.8999 -40.0325 -17.0137 23.9037 -14.6352 -32.9631 TIMING: 747400 CPU: 2171.21, 0.00288692/step Wall: 2171.21, 0.00288692/step, 3.41025 hours remaining, 205.269531 MB of memory in use. ENERGY: 747400 724.9462 2101.3371 1991.3990 105.7416 -206256.1021 17989.0081 0.0000 0.0000 34358.4124 -148985.2577 300.0606 -183343.6701 -148888.2792 300.1685 154.3523 184.1990 556268.7218 -8.9153 -9.1408 PRESSURE: 747600 182.835 -169.629 91.5988 -169.629 127.383 137.211 91.599 137.21 -113.325 GPRESSURE: 747600 220.08 -165.166 27.7677 -100.097 159.903 192.482 147.791 90.574 -94.7408 PRESSAVG: 747600 34.1311 65.1095 10.672 65.1096 16.2925 9.56842 10.672 9.56859 3.62026 GPRESSAVG: 747600 32.7334 65.0533 7.82052 63.5223 18.0206 12.6817 8.98871 10.3021 3.71489 TIMING: 747600 CPU: 2171.79, 0.0028803/step Wall: 2171.79, 0.0028803/step, 3.40227 hours remaining, 205.269531 MB of memory in use. ENERGY: 747600 717.0687 2087.8358 1961.7185 115.7237 -205690.6918 17714.5105 0.0000 0.0000 34322.4359 -148771.3987 299.7464 -183093.8346 -148674.6487 300.5344 65.6309 95.0807 557623.8430 18.0146 18.1563 PRESSURE: 747800 -66.8024 78.8357 11.8962 78.8368 -333.382 20.0718 11.8959 20.0712 83.0321 GPRESSURE: 747800 -40.2913 161.343 56.901 101.777 -257.846 62.3036 -52.5586 14.8037 78.9632 PRESSAVG: 747800 35.056 30.1759 18.5645 30.1759 -59.3155 9.17499 18.5644 9.17505 2.46673 GPRESSAVG: 747800 36.2514 31.0257 21.11 29.6277 -58.5714 7.80572 17.6305 7.35491 0.846302 TIMING: 747800 CPU: 2172.37, 0.00289075/step Wall: 2172.37, 0.00289075/step, 3.41446 hours remaining, 205.269531 MB of memory in use. ENERGY: 747800 713.8586 2117.2465 1964.9578 125.9957 -205487.3732 17489.4916 0.0000 0.0000 34210.4530 -148865.3700 298.7684 -183075.8230 -148769.7084 299.7246 -105.7173 -73.0581 557478.3296 -7.2643 -7.1579 PRESSURE: 748000 64.6134 -137.947 81.9443 -137.946 -207.196 262.995 81.9451 262.994 -381.502 GPRESSURE: 748000 98.1173 -132.622 44.4619 -135.6 -168.169 229.102 25.4427 130.189 -357.224 PRESSAVG: 748000 -33.8191 22.5254 -21.3677 22.5255 44.8753 3.56245 -21.3678 3.56244 -28.3704 GPRESSAVG: 748000 -34.5886 23.1458 -24.124 23.1838 43.6143 3.21104 -17.7896 4.11683 -26.1797 TIMING: 748000 CPU: 2172.95, 0.00289985/step Wall: 2172.95, 0.00289985/step, 3.42504 hours remaining, 205.269531 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: 748000 740.8290 2095.4490 1982.0337 109.5779 -205862.4856 17681.6736 0.0000 0.0000 34438.2980 -148814.6243 300.7582 -183252.9223 -148716.7009 299.9084 -174.6950 -142.4252 556684.6257 -5.7714 -5.7180 PRESSURE: 748200 218.785 -40.9112 -6.3576 -40.911 83.8794 57.0731 -6.35758 57.0748 155.963 GPRESSURE: 748200 291.708 -55.1746 21.8286 -2.24801 93.931 23.0105 -31.1412 142.714 169.083 PRESSAVG: 748200 -51.4891 7.19392 38.3174 7.19404 47.554 41.3543 38.3174 41.3544 16.5164 GPRESSAVG: 748200 -51.2509 7.57674 40.3568 6.38342 46.9254 41.8697 35.0604 39.9649 16.7202 TIMING: 748200 CPU: 2173.53, 0.00290999/step Wall: 2173.53, 0.00290999/step, 3.43686 hours remaining, 205.269531 MB of memory in use. ENERGY: 748200 765.1550 2084.3569 2009.7111 116.0039 -206134.7083 17973.5439 0.0000 0.0000 34430.0041 -148755.9333 300.6858 -183185.9374 -148659.1390 300.8567 152.8758 184.9072 556614.8739 4.1938 4.1316 LDB: ============= START OF LOAD BALANCING ============== 2177 LDB: ============== END OF LOAD BALANCING =============== 2177 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2177 LDB: ============= START OF LOAD BALANCING ============== 2177.29 LDB: Largest compute 4827 load 0.027431 is 23.3% of average load 0.117645 LDB: Average compute 0.001721 is 1.5% of average load 0.117645 LDB: TIME 2177.29 LOAD: AVG 0.117645 MAX 0.180242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.477 MB LDB: TIME 2177.29 LOAD: AVG 0.117645 MAX 0.180242 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.48 MB LDB: TIME 2177.29 LOAD: AVG 0.117645 MAX 0.180242 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2177.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2177.3 PRESSURE: 748400 8.71539 -157.475 -217.259 -157.475 225.06 -63.1302 -217.26 -63.129 13.3032 GPRESSURE: 748400 12.595 -147.104 -211.89 -205.923 245.189 -29.8045 -222.757 -29.2216 88.1155 PRESSAVG: 748400 -46.3856 16.311 1.89601 16.3109 -18.3226 29.2184 1.89595 29.2185 1.47883 GPRESSAVG: 748400 -46.5005 16.5936 2.7163 16.1697 -17.7186 30.157 1.36185 29.6756 1.52222 TIMING: 748400 CPU: 2174.12, 0.00296882/step Wall: 2174.12, 0.00296882/step, 3.50618 hours remaining, 205.792969 MB of memory in use. ENERGY: 748400 754.3851 2125.5162 1986.8379 112.0289 -206277.8652 17851.2168 0.0000 0.0000 34619.5827 -148828.2977 302.3414 -183447.8803 -148727.0376 300.4882 82.3597 115.2999 556374.8827 -21.0764 -20.8990 PRESSURE: 748600 383.23 -17.4539 -9.50127 -17.4537 137.157 1.93944 -9.50183 1.94145 -9.88912 GPRESSURE: 748600 390.187 -78.1527 38.1557 -8.32336 139.689 -8.70701 -83.5798 -5.15934 73.8846 PRESSAVG: 748600 -26.8582 -16.5505 -57.5662 -16.5506 50.6149 5.46052 -57.5662 5.46046 18.1624 GPRESSAVG: 748600 -27.6662 -16.9551 -56.2974 -16.7297 50.1914 2.85495 -56.4092 5.53204 18.8773 TIMING: 748600 CPU: 2174.71, 0.00291233/step Wall: 2174.71, 0.00291233/step, 3.4393 hours remaining, 205.996094 MB of memory in use. ENERGY: 748600 723.3852 2126.6671 1992.3683 120.4762 -206323.2800 18063.9658 0.0000 0.0000 34451.3956 -148845.0216 300.8726 -183296.4173 -148754.4376 300.2306 170.1661 201.2534 555670.2857 13.9730 13.8009 PRESSURE: 748800 -39.4373 219.821 34.632 219.822 -162.154 -48.1885 34.6317 -48.1883 -178.438 GPRESSURE: 748800 -1.56383 133.208 -52.8032 329.649 -130.922 -70.7611 11.3731 -4.87119 -149.004 PRESSAVG: 748800 -32.4724 35.959 -28.053 35.9591 -8.52958 -2.06539 -28.053 -2.06551 12.894 GPRESSAVG: 748800 -31.1817 34.7165 -30.2016 38.1963 -8.00863 0.9616 -27.7026 -1.93887 11.4318 TIMING: 748800 CPU: 2175.29, 0.00291188/step Wall: 2175.29, 0.00291188/step, 3.43861 hours remaining, 205.996094 MB of memory in use. ENERGY: 748800 724.4563 2107.0322 1989.7832 106.1021 -205558.4943 17490.4022 0.0000 0.0000 34363.9609 -148776.7573 300.1090 -183140.7182 -148679.8353 300.1144 -126.6763 -93.8299 557743.2079 -9.3693 -9.2529 PRESSURE: 749000 132.662 -19.9642 13.4185 -19.9625 -85.3039 -31.8454 13.4187 -31.8469 -315.945 GPRESSURE: 749000 96.279 -112.561 -29.9122 8.43073 -7.15873 -28.6802 -2.16924 -38.0072 -247.277 PRESSAVG: 749000 92.649 -9.29606 -31.9077 -9.29603 -49.6739 2.7543 -31.9076 2.75432 -17.4068 GPRESSAVG: 749000 90.7858 -9.071 -31.9024 -11.9573 -48.8612 0.352353 -32.061 2.61675 -16.1434 TIMING: 749000 CPU: 2175.87, 0.00292512/step Wall: 2175.87, 0.00292512/step, 3.45408 hours remaining, 205.996094 MB of memory in use. ENERGY: 749000 736.5908 2151.2054 1968.7587 109.7990 -206143.1351 17640.3175 0.0000 0.0000 34509.5904 -149026.8733 301.3808 -183536.4637 -148925.7972 300.1608 -89.5290 -52.7189 556504.8516 8.5228 8.5937 PRESSURE: 749200 110.601 114.754 8.91881 114.754 102.957 171.087 8.91825 171.087 53.2571 GPRESSURE: 749200 81.8569 -5.03928 81.0856 150.164 154.963 137.848 -27.7149 128.066 122.361 PRESSAVG: 749200 -14.7563 1.90245 -18.3614 1.90241 67.2377 -3.4998 -18.3615 -3.49975 -81.101 GPRESSAVG: 749200 -13.9711 0.465135 -18.3381 1.43672 66.5573 -3.06308 -17.9542 -2.42316 -81.5515 TIMING: 749200 CPU: 2176.45, 0.00289833/step Wall: 2176.45, 0.00289833/step, 3.42228 hours remaining, 205.996094 MB of memory in use. ENERGY: 749200 717.6133 2115.3354 1943.6104 113.1423 -206188.2279 17753.4562 0.0000 0.0000 34453.4672 -149091.6031 300.8907 -183545.0703 -148986.2106 299.5757 88.9384 119.7270 555996.4299 -9.5399 -9.6551 PRESSURE: 749400 -63.3374 -30.0772 147.246 -30.0767 -11.8753 -86.7434 147.245 -86.7443 -97.2504 GPRESSURE: 749400 -44.1486 13.2594 217.851 -58.9697 4.20981 -129.779 15.3222 -128.61 -37.2705 PRESSAVG: 749400 6.0463 14.515 -16.5245 14.5149 17.8351 21.6594 -16.5245 21.6594 -4.19886 GPRESSAVG: 749400 5.59967 15.4006 -15.8701 16.2193 18.0968 22.345 -17.0977 20.3316 -4.27421 TIMING: 749400 CPU: 2177.03, 0.00289108/step Wall: 2177.03, 0.00289108/step, 3.41356 hours remaining, 205.996094 MB of memory in use. ENERGY: 749400 730.4924 2157.7115 1950.7218 101.8656 -206126.1131 17626.1697 0.0000 0.0000 34408.7253 -149150.4266 300.5000 -183559.1519 -149051.0734 299.3958 -57.4877 -25.7364 556827.4574 6.5608 6.4741 PRESSURE: 749600 -362.025 -74.5075 -3.12066 -74.508 -278.503 -79.6499 -3.12146 -79.6515 -10.3659 GPRESSURE: 749600 -338.514 -128.233 22.5038 -2.84384 -233.229 -108.227 -6.91558 -126.917 23.1299 PRESSAVG: 749600 56.594 17.476 9.51674 17.476 -101.644 22.15 9.51675 22.1499 27.6184 GPRESSAVG: 749600 58.8859 19.4669 8.72243 16.0234 -101.939 20.9013 9.07943 23.7284 26.1049 TIMING: 749600 CPU: 2177.61, 0.0028891/step Wall: 2177.61, 0.0028891/step, 3.41106 hours remaining, 205.996094 MB of memory in use. ENERGY: 749600 724.5075 2169.9636 1992.9476 110.7568 -205668.8978 17267.6871 0.0000 0.0000 34294.4533 -149108.5819 299.5020 -183403.0353 -149014.1062 299.0128 -216.9647 -182.8710 556701.8422 -5.8107 -5.6495 PRESSURE: 749800 -184.043 98.4897 -37.879 98.4902 -409.534 -80.6812 -37.8791 -80.6828 -2.77859 GPRESSURE: 749800 -150.851 45.1589 -70.265 110.466 -339.214 -54.4696 -32.4773 -25.6179 2.19706 PRESSAVG: 749800 10.3517 36.9959 -23.245 36.996 -37.7401 19.2529 -23.245 19.2529 13.3136 GPRESSAVG: 749800 9.93939 34.3958 -22.6826 39.099 -37.9027 19.6926 -21.2656 16.3803 14.574 TIMING: 749800 CPU: 2178.19, 0.00290185/step Wall: 2178.19, 0.00290185/step, 3.42595 hours remaining, 205.996094 MB of memory in use. ENERGY: 749800 788.9169 2098.0161 1959.5910 118.3349 -205814.8446 17484.8941 0.0000 0.0000 34580.5503 -148784.5413 302.0005 -183365.0916 -148684.8447 300.7085 -198.7854 -162.6226 559511.3459 -4.6916 -4.4631 PRESSURE: 750000 80.5515 -55.867 -110.974 -55.8667 31.8894 -95.9053 -110.974 -95.9053 83.1411 GPRESSURE: 750000 149.789 -82.4292 -42.6649 -78.4967 87.8447 -74.6126 -141.04 -73.2627 50.0097 PRESSAVG: 750000 42.9931 23.2862 51.4889 23.2862 -59.8755 -0.168427 51.4888 -0.168461 50.6393 GPRESSAVG: 750000 42.8404 23.0002 51.2863 23.0315 -59.4161 0.241503 50.3577 -0.00872224 49.9015 TIMING: 750000 CPU: 2178.77, 0.00291702/step Wall: 2178.77, 0.00291702/step, 3.44371 hours remaining, 206.199219 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: 750000 728.7826 2053.5617 1972.7034 107.2606 -205702.1989 17771.7408 0.0000 0.0000 34207.1549 -148860.9950 298.7396 -183068.1498 -148765.0580 299.5862 65.1940 95.8811 558352.1845 11.2523 11.1086 PRESSURE: 750200 270.054 -105.585 -262.721 -105.587 108.465 160.743 -262.719 160.744 1.8551 GPRESSURE: 750200 333.741 -108.919 -295.577 -126.815 115.049 99.6269 -192.462 179.661 37.5939 PRESSAVG: 750200 25.4161 -25.603 -9.60372 -25.6032 -14.3642 24.8169 -9.60374 24.8168 3.68596 GPRESSAVG: 750200 25.8109 -25.4346 -10.1667 -25.6035 -15.5408 24.6336 -9.6314 26.3249 3.58806 TIMING: 750200 CPU: 2179.36, 0.00292261/step Wall: 2179.36, 0.00292261/step, 3.45014 hours remaining, 206.199219 MB of memory in use. ENERGY: 750200 757.4792 2142.2739 1958.8876 109.7053 -206285.7189 18065.3189 0.0000 0.0000 34508.6467 -148743.4073 301.3726 -183252.0539 -148646.2395 300.2122 126.7913 162.1280 557629.4577 4.9126 4.6194 PRESSURE: 750400 -31.3579 17.2199 -77.9218 17.2191 -19.0843 -134.893 -77.9216 -134.894 -82.6504 GPRESSURE: 750400 -14.0255 -83.5591 -139.947 42.9251 18.3622 -20.6543 -34.8509 -108.551 -25.8128 PRESSAVG: 750400 34.3679 -6.33113 -5.91767 -6.331 -24.3185 -8.21481 -5.91763 -8.21471 -2.02306 GPRESSAVG: 750400 33.4012 -5.35858 -4.73423 -5.79717 -23.8499 -6.1511 -6.59016 -9.12225 -1.80888 TIMING: 750400 CPU: 2179.94, 0.00290907/step Wall: 2179.94, 0.00290907/step, 3.434 hours remaining, 206.199219 MB of memory in use. ENERGY: 750400 754.9088 2178.1577 1957.4903 108.9551 -206102.0094 17721.9438 0.0000 0.0000 34614.0546 -148766.4991 302.2931 -183380.5537 -148668.5295 301.1254 -44.3642 -7.1587 558198.9779 2.6754 2.5808 PRESSURE: 750600 -93.0884 3.20861 -92.4764 3.20877 -213.627 48.1531 -92.4766 48.1522 14.9891 GPRESSURE: 750600 -72.765 -70.5897 -124.008 -10.5604 -148.295 44.4585 -52.6434 -3.72178 35.0866 PRESSAVG: 750600 72.6074 -1.07461 30.5843 -1.07451 -1.13358 44.8513 30.5843 44.8512 -68.5708 GPRESSAVG: 750600 73.0381 -1.00043 28.1371 -2.64258 -1.67929 43.8496 31.2801 45.9335 -68.5638 TIMING: 750600 CPU: 2180.52, 0.00291853/step Wall: 2180.52, 0.00291853/step, 3.44501 hours remaining, 206.199219 MB of memory in use. ENERGY: 750600 700.5666 2104.9166 1959.8368 110.8450 -205681.2608 17491.2203 0.0000 0.0000 34555.3247 -148758.5508 301.7802 -183313.8755 -148666.3507 300.9108 -97.2421 -61.9911 558840.9726 0.9677 0.9317 PRESSURE: 750800 156.181 -26.3946 -3.71408 -26.3945 61.3893 50.0028 -3.71326 50.0015 29.64 GPRESSURE: 750800 219.383 -18.2566 128.339 102.392 115.192 62.3904 -77.8838 5.09359 11.8971 PRESSAVG: 750800 36.9058 24.6548 41.9644 24.6547 81.7402 -18.3396 41.9642 -18.3396 -112.626 GPRESSAVG: 750800 37.4361 24.3508 44.781 25.4068 82.2515 -18.6643 41.1572 -18.6334 -112.982 TIMING: 750800 CPU: 2181.1, 0.00290189/step Wall: 2181.1, 0.00290189/step, 3.4252 hours remaining, 206.199219 MB of memory in use. ENERGY: 750800 734.6973 2130.3541 1988.5723 111.6849 -205920.6557 17892.4790 0.0000 0.0000 34360.4986 -148702.3696 300.0788 -183062.8682 -148603.0603 301.5691 82.4035 115.4908 558925.9333 2.0065 2.2353 PRESSURE: 751000 -152.41 -104.051 22.7531 -104.051 -270.784 -12.3684 22.7525 -12.3694 145.831 GPRESSURE: 751000 -146.652 -187.252 -39.8038 -97.8016 -174.877 -35.4704 97.5329 -22.2754 144.796 PRESSAVG: 751000 24.9271 37.5859 -11.7086 37.5859 -6.91645 -44.0337 -11.7086 -44.0337 -23.2682 GPRESSAVG: 751000 23.152 36.7793 -12.4652 38.4344 -6.43415 -43.5565 -9.77967 -45.0795 -21.684 TIMING: 751000 CPU: 2181.68, 0.00289135/step Wall: 2181.68, 0.00289135/step, 3.4126 hours remaining, 206.199219 MB of memory in use. ENERGY: 751000 724.1140 2078.1463 1940.5373 116.1163 -205852.3287 17624.3565 0.0000 0.0000 34507.2120 -148861.8463 301.3601 -183369.0583 -148765.5718 301.1806 -92.4543 -58.9109 558781.8935 -1.7525 -1.6554 PRESSURE: 751200 -93.0261 -0.934617 -212.211 -0.935455 -91.3972 92.0684 -212.211 92.0693 -290.171 GPRESSURE: 751200 -87.8733 -12.204 -145.528 -65.9544 -87.2578 54.5927 -212.025 147.806 -196.479 PRESSAVG: 751200 12.1937 -26.4381 -24.7931 -26.4383 -60.4959 10.0773 -24.7932 10.0773 -11.2811 GPRESSAVG: 751200 14.1522 -24.983 -26.0539 -26.7134 -61.4246 8.48238 -26.4193 10.6046 -12.0519 TIMING: 751200 CPU: 2182.26, 0.00288396/step Wall: 2182.26, 0.00288396/step, 3.40371 hours remaining, 206.199219 MB of memory in use. ENERGY: 751200 727.5895 2122.6685 1961.9862 120.0088 -205634.3030 17375.7927 0.0000 0.0000 34431.3242 -148894.9333 300.6973 -183326.2574 -148797.4425 300.5587 -158.1982 -123.8699 559023.4643 -19.8611 -19.7748 PRESSURE: 751400 -115.518 125.857 -50.0755 125.858 15.3168 127.886 -50.0759 127.884 304.876 GPRESSURE: 751400 -106.171 96.3649 -50.4378 141.501 87.0209 161.317 -29.2374 75.5851 317.115 PRESSAVG: 751400 -38.4344 1.98857 17.3386 1.98869 16.0661 -27.7689 17.3386 -27.7689 44.0209 GPRESSAVG: 751400 -39.3013 1.33436 17.7959 2.99727 18.8427 -26.5907 20.5107 -27.4295 42.4075 TIMING: 751400 CPU: 2182.84, 0.00288602/step Wall: 2182.84, 0.00288602/step, 3.40598 hours remaining, 206.199219 MB of memory in use. ENERGY: 751400 744.2847 2105.1318 1974.5000 124.0083 -206116.5546 17867.6166 0.0000 0.0000 34461.3492 -148839.6638 300.9595 -183301.0131 -148736.3749 300.7143 68.2248 99.3217 557956.4913 7.2175 7.3163 PRESSURE: 751600 -55.0426 185.734 -65.9751 185.734 111.119 53.626 -65.9751 53.6257 23.3964 GPRESSURE: 751600 -40.6716 236.723 -76.6967 182.194 149.973 49.4094 9.00375 80.1881 82.2 PRESSAVG: 751600 -58.5587 49.6484 30.5942 49.6485 10.4052 16.8767 30.5942 16.8766 42.0392 GPRESSAVG: 751600 -57.8669 49.438 31.8109 49.888 10.1471 16.9872 26.5319 16.285 42.939 TIMING: 751600 CPU: 2183.41, 0.00287945/step Wall: 2183.41, 0.00287945/step, 3.39807 hours remaining, 206.402344 MB of memory in use. ENERGY: 751600 738.1879 2089.8405 1970.2080 107.9354 -205971.2044 17806.4311 0.0000 0.0000 34339.3734 -148919.2281 299.8943 -183258.6015 -148823.8397 300.4036 26.4909 63.8339 558794.1759 -2.0381 -1.5936 PRESSURE: 751800 -141.024 -22.7638 97.2991 -22.7633 -313.964 215.759 97.2994 215.758 127.806 GPRESSURE: 751800 -155.844 78.5951 76.2803 -92.5284 -254.202 194.029 178.643 192.882 189.947 PRESSAVG: 751800 -48.1267 37.8978 3.46421 37.8978 30.6526 5.16506 3.4642 5.16505 103.648 GPRESSAVG: 751800 -47.4976 39.993 1.71212 35.6816 30.1677 5.69792 4.25959 5.71104 103.325 TIMING: 751800 CPU: 2183.99, 0.00288826/step Wall: 2183.99, 0.00288826/step, 3.4083 hours remaining, 206.402344 MB of memory in use. ENERGY: 751800 769.7348 2105.5820 1992.7526 112.2783 -205927.2534 17675.2516 0.0000 0.0000 34220.8746 -149050.7797 298.8594 -183271.6542 -148953.6784 299.9259 -109.0608 -73.3660 559216.6442 28.7246 28.6651 PRESSURE: 752000 -95.1982 -16.2547 24.5149 -16.2558 -106.588 5.76182 24.5141 5.76275 90.2956 GPRESSURE: 752000 -104.218 7.77333 -20.4848 -96.6752 -21.1204 -74.8718 36.2223 70.8913 109.405 PRESSAVG: 752000 48.8507 -0.696192 17.8283 -0.69622 -45.3746 28.2748 17.8284 28.2747 17.6916 GPRESSAVG: 752000 48.3935 -0.73471 19.5275 0.912831 -44.7337 27.6517 19.2914 29.2126 16.9308 TIMING: 752000 CPU: 2184.57, 0.00288811/step Wall: 2184.57, 0.00288811/step, 3.40797 hours remaining, 206.402344 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: 752000 712.6657 2063.5669 1977.3108 118.6977 -205962.3176 17608.0878 0.0000 0.0000 34409.1520 -149072.8367 300.5037 -183481.9886 -148985.6812 299.8891 -37.1637 -5.3109 557929.0792 7.0559 6.8635 PRESSURE: 752200 -51.3754 59.4458 167.708 59.4462 151.777 -0.363979 167.707 -0.366341 246.666 GPRESSURE: 752200 -44.9026 130.282 215.985 10.3218 200.823 -17.651 146.337 -13.8201 275.011 PRESSAVG: 752200 1.77464 35.5547 55.6205 35.5548 4.90819 0.59798 55.6206 0.598005 32.5374 GPRESSAVG: 752200 1.31498 34.3009 55.4115 35.4648 4.02369 0.737227 55.3922 0.274942 33.7398 TIMING: 752200 CPU: 2185.15, 0.00290281/step Wall: 2185.15, 0.00290281/step, 3.42516 hours remaining, 206.402344 MB of memory in use. ENERGY: 752200 753.0583 2112.4817 1951.1753 99.0276 -206423.4849 18045.8017 0.0000 0.0000 34104.9705 -149356.9697 297.8472 -183461.9403 -149263.9432 299.0852 115.6891 143.6437 557247.3868 13.0734 13.0262 LDB: ============= START OF LOAD BALANCING ============== 2188.61 LDB: ============== END OF LOAD BALANCING =============== 2188.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2188.62 LDB: ============= START OF LOAD BALANCING ============== 2188.91 LDB: Largest compute 4827 load 0.028123 is 23.9% of average load 0.117590 LDB: Average compute 0.001716 is 1.5% of average load 0.117590 LDB: TIME 2188.91 LOAD: AVG 0.11759 MAX 0.177206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.938 MB LDB: TIME 2188.91 LOAD: AVG 0.11759 MAX 0.177206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.141 MB LDB: TIME 2188.91 LOAD: AVG 0.11759 MAX 0.177206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2188.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2188.91 PRESSURE: 752400 7.53318 -161.736 -137.093 -161.736 129.74 109.719 -137.093 109.718 46.1411 GPRESSURE: 752400 69.4763 -93.9876 -199.817 -196.474 132.422 103.502 -43.4888 101.622 74.2662 PRESSAVG: 752400 67.4482 45.3925 -18.709 45.3924 -23.7674 68.3478 -18.709 68.3479 -19.6224 GPRESSAVG: 752400 67.7797 44.082 -19.0527 46.907 -23.6763 68.7057 -20.249 66.4803 -20.1645 TIMING: 752400 CPU: 2185.74, 0.00295039/step Wall: 2185.74, 0.00295039/step, 3.48113 hours remaining, 203.679688 MB of memory in use. ENERGY: 752400 729.9080 2073.6255 1999.5345 123.9888 -206223.1132 17706.7236 0.0000 0.0000 34216.6063 -149372.7265 298.8221 -183589.3327 -149277.6206 298.6766 61.1380 92.0549 556791.3277 8.0195 7.9796 PRESSURE: 752600 -140.617 89.2685 72.3805 89.2705 11.2526 118.875 72.381 118.875 -127.054 GPRESSURE: 752600 -124.533 51.5129 103.567 83.199 60.8398 114.596 59.2963 152.156 -92.1129 PRESSAVG: 752600 15.1468 25.08 -44.7075 25.0801 21.5176 57.3434 -44.7074 57.3435 -3.29718 GPRESSAVG: 752600 16.2179 26.3789 -43.2168 22.7881 20.4969 57.1921 -45.1775 58.85 -2.95958 TIMING: 752600 CPU: 2186.32, 0.00289709/step Wall: 2186.32, 0.00289709/step, 3.41808 hours remaining, 203.679688 MB of memory in use. ENERGY: 752600 752.1084 2112.0490 1942.7386 118.7074 -206168.7214 17646.4081 0.0000 0.0000 34120.7780 -149475.9319 297.9852 -183596.7099 -149374.0524 298.6095 -85.4729 -51.9353 557259.5135 11.1224 11.2517 PRESSURE: 752800 116.479 40.6077 40.9631 40.6072 303.172 93.1265 40.9621 93.1273 436.982 GPRESSURE: 752800 155.1 -1.24838 153.197 18.4366 352.031 118.423 3.66519 59.1294 438.896 PRESSAVG: 752800 -12.0908 32.7288 34.756 32.729 -18.9946 82.7329 34.7561 82.7329 -9.81783 GPRESSAVG: 752800 -11.4969 31.6378 33.91 33.5635 -18.0099 80.6787 35.845 84.146 -11.2272 TIMING: 752800 CPU: 2186.9, 0.00290081/step Wall: 2186.9, 0.00290081/step, 3.42231 hours remaining, 203.742188 MB of memory in use. ENERGY: 752800 732.8254 2065.9345 1943.0842 120.3968 -206882.7267 18222.7955 0.0000 0.0000 34345.8505 -149451.8399 299.9509 -183797.6903 -149355.2461 298.1416 285.5441 315.3424 555747.7763 -13.6344 -13.5780 PRESSURE: 753000 453.242 7.84134 -179.286 7.84083 -353.937 31.2305 -179.284 31.2306 -10.0619 GPRESSURE: 753000 510.359 24.3461 -203.339 -5.9283 -374.176 15.7867 -197.006 -31.9758 36.3052 PRESSAVG: 753000 38.0538 -6.91591 -31.5761 -6.91585 -21.1049 67.0441 -31.5761 67.0441 -33.208 GPRESSAVG: 753000 36.6108 -5.50051 -29.1507 -7.26122 -21.3477 69.3202 -33.9755 64.4611 -31.948 TIMING: 753000 CPU: 2187.47, 0.00287593/step Wall: 2187.47, 0.00287593/step, 3.3928 hours remaining, 203.742188 MB of memory in use. ENERGY: 753000 730.2627 2159.9967 1961.8409 115.1443 -206493.2285 17832.1753 0.0000 0.0000 34194.9047 -149498.9038 298.6326 -183693.8085 -149407.4249 298.0445 29.7475 57.4960 556468.4292 -5.4197 -5.5616 PRESSURE: 753200 103.495 -15.9351 -22.6713 -15.9334 35.8005 70.2757 -22.6713 70.2766 157.906 GPRESSURE: 753200 131.389 -28.1774 -49.0973 -42.5562 78.2371 45.3741 26.0815 67.7207 177.759 PRESSAVG: 753200 34.1648 -11.9328 -19.1114 -11.9327 10.0064 27.1318 -19.1113 27.1319 -24.1376 GPRESSAVG: 753200 34.476 -13.7042 -21.5402 -11.3942 9.27638 26.1881 -16.1591 26.7411 -24.316 TIMING: 753200 CPU: 2188.05, 0.00288699/step Wall: 2188.05, 0.00288699/step, 3.40568 hours remaining, 203.957031 MB of memory in use. ENERGY: 753200 715.4336 2128.3395 1990.0462 124.0887 -206402.8396 17832.2299 0.0000 0.0000 34026.8405 -149585.8612 297.1649 -183612.7017 -149488.9996 298.2134 99.0672 129.1283 556454.5091 6.6779 6.4788 PRESSURE: 753400 138.579 -19.1121 6.82638 -19.1118 21.5353 -1.95407 6.82622 -1.95367 7.37915 GPRESSURE: 753400 150.503 11.0332 29.9117 -93.2138 75.0187 90.0515 -109.478 -2.97831 43.173 PRESSAVG: 753400 53.0439 17.3609 36.1479 17.3608 -30.2133 34.0239 36.1478 34.024 -24.9521 GPRESSAVG: 753400 52.4983 16.6713 35.1176 18.112 -29.3347 35.2291 35.738 34.8859 -25.0983 TIMING: 753400 CPU: 2188.63, 0.00289221/step Wall: 2188.63, 0.00289221/step, 3.41168 hours remaining, 203.957031 MB of memory in use. ENERGY: 753400 734.4491 2092.4114 1964.3547 113.1085 -206324.4252 17803.6166 0.0000 0.0000 34237.4823 -149379.0026 299.0044 -183616.4849 -149278.1250 298.6602 55.8311 89.5649 558324.4240 -0.7072 -0.6449 PRESSURE: 753600 194.963 -25.0867 82.0843 -25.087 0.543234 14.0665 82.0839 14.0682 83.05 GPRESSURE: 753600 247.103 86.2669 127.051 -62.2437 65.0546 82.2104 47.262 -30.2008 76.0984 PRESSAVG: 753600 68.26 -2.38667 19.7097 -2.38672 -29.9789 48.042 19.7098 48.0422 -20.8881 GPRESSAVG: 753600 68.471 -1.49014 20.2063 -1.61967 -31.3658 47.3589 20.319 48.5438 -19.813 TIMING: 753600 CPU: 2189.21, 0.00290279/step Wall: 2189.21, 0.00290279/step, 3.424 hours remaining, 203.957031 MB of memory in use. ENERGY: 753600 729.8240 2099.3828 1978.4804 112.9600 -206210.2581 17999.2291 0.0000 0.0000 34033.2630 -149257.1188 297.2210 -183290.3817 -149158.7273 298.6098 92.8519 129.4187 558908.5568 5.7977 5.7640 PRESSURE: 753800 -58.8942 -88.6696 87.2134 -88.6689 -117.998 183.143 87.2137 183.142 -327.99 GPRESSURE: 753800 -16.495 -14.2081 213.459 -118.355 -115.78 171.241 20.9666 219.8 -285.813 PRESSAVG: 753800 11.9373 49.5208 24.0419 49.5208 -29.4158 37.3372 24.0419 37.3372 -5.77864 GPRESSAVG: 753800 12.4461 51.6105 24.7477 49.197 -28.5092 38.8791 25.3333 36.2611 -7.43918 TIMING: 753800 CPU: 2189.79, 0.00290758/step Wall: 2189.79, 0.00290758/step, 3.4295 hours remaining, 203.957031 MB of memory in use. ENERGY: 753800 815.1061 2048.2766 1973.3241 113.7802 -206071.2265 17711.1367 0.0000 0.0000 34129.2675 -149280.3353 298.0594 -183409.6027 -149184.2633 298.7731 -168.2940 -139.3627 558504.9213 -7.7524 -7.8341 PRESSURE: 754000 384.845 -47.6552 -28.01 -47.655 145.577 50.0581 -28.0102 50.0583 193.267 GPRESSURE: 754000 444.461 -98.9818 -57.4077 4.63866 150.305 56.0268 48.0956 78.2984 215.321 PRESSAVG: 754000 52.0118 37.0256 21.8412 37.0255 -14.8521 -17.4315 21.8411 -17.4315 -33.2513 GPRESSAVG: 754000 52.0945 35.7264 22.211 37.6986 -14.3637 -19.8049 21.3002 -16.4675 -33.6563 TIMING: 754000 CPU: 2190.38, 0.00292676/step Wall: 2190.38, 0.00292676/step, 3.45196 hours remaining, 203.957031 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: 754000 743.9274 2113.7776 1973.6223 123.3615 -206759.9880 18207.1730 0.0000 0.0000 34306.2909 -149291.8352 299.6054 -183598.1260 -149194.1548 298.8697 241.2299 270.0291 558055.8317 1.3028 1.3582 PRESSURE: 754200 17.136 -48.868 101.852 -48.8675 -190.539 191.011 101.853 191.011 88.501 GPRESSURE: 754200 17.4218 -15.2191 130.63 -76.6184 -138.219 223.133 133.961 162.156 125.128 PRESSAVG: 754200 41.9217 46.7414 14.6194 46.7415 -44.9712 8.85867 14.6195 8.85871 25.5445 GPRESSAVG: 754200 40.0684 47.4304 14.6304 44.5698 -43.6301 9.27601 12.9161 8.30808 25.5573 TIMING: 754200 CPU: 2190.96, 0.00291913/step Wall: 2190.96, 0.00291913/step, 3.44279 hours remaining, 203.957031 MB of memory in use. ENERGY: 754200 709.6040 2104.7715 1963.7774 119.7309 -206092.6804 17615.7800 0.0000 0.0000 34362.2679 -149216.7487 300.0942 -183579.0166 -149124.0248 299.2087 -28.3008 1.4436 557019.8910 7.4983 7.3319 PRESSURE: 754400 -104.658 176.919 -104.587 176.92 3.64557 105.9 -104.589 105.9 -180.041 GPRESSURE: 754400 -78.2965 198.869 -112.123 101.682 23.5781 36.4109 -64.2157 130.94 -147.413 PRESSAVG: 754400 -24.39 2.51399 -1.39196 2.51393 27.2794 30.6383 -1.39201 30.6384 17.2801 GPRESSAVG: 754400 -23.6025 2.87005 -1.35079 1.34639 26.3509 29.8939 -1.02405 31.9927 17.6034 TIMING: 754400 CPU: 2191.54, 0.00289477/step Wall: 2191.54, 0.00289477/step, 3.4139 hours remaining, 203.957031 MB of memory in use. ENERGY: 754400 735.7974 2098.8169 1964.6688 109.1282 -206042.0985 17690.4768 0.0000 0.0000 34117.1905 -149326.0200 297.9539 -183443.2105 -149229.6334 298.9135 -93.6845 -67.3771 558448.0871 6.7232 6.7839 PRESSURE: 754600 -197.007 -114.979 127.832 -114.98 -54.8225 85.7609 127.83 85.761 -219.786 GPRESSURE: 754600 -195.525 -82.6578 93.6317 -81.8236 -16.3138 117.818 173.785 52.8483 -166.18 PRESSAVG: 754600 -33.4539 -23.672 18.1255 -23.6719 28.1047 25.8739 18.1255 25.8739 2.82072 GPRESSAVG: 754600 -33.2897 -25.2116 16.3486 -21.4535 28.6908 26.123 18.127 26.1157 2.48668 TIMING: 754600 CPU: 2192.12, 0.00291822/step Wall: 2192.12, 0.00291822/step, 3.4414 hours remaining, 203.957031 MB of memory in use. ENERGY: 754600 774.6957 2100.9253 1966.9591 110.3287 -206130.7462 17639.3233 0.0000 0.0000 34196.8100 -149341.7039 298.6492 -183538.5140 -149240.5306 297.7468 -157.2051 -126.0061 559006.6831 -0.8428 -0.7041 PRESSURE: 754800 -3.70224 53.1699 11.4924 53.171 -27.5722 -9.84976 11.4924 -9.84953 -20.3602 GPRESSURE: 754800 20.8301 47.4955 41.8109 146.839 7.76892 18.0563 -10.6959 -13.8965 27.3761 PRESSAVG: 754800 -19.102 43.7658 -38.2155 43.7658 -11.327 -12.0738 -38.2155 -12.0738 -15.4183 GPRESSAVG: 754800 -19.1543 43.1767 -36.4991 44.9172 -12.1504 -10.5748 -38.2129 -11.7532 -14.1418 TIMING: 754800 CPU: 2192.71, 0.00291634/step Wall: 2192.71, 0.00291634/step, 3.43901 hours remaining, 203.957031 MB of memory in use. ENERGY: 754800 734.4757 2109.4999 1962.5658 128.5221 -206442.4718 17891.0966 0.0000 0.0000 34243.5464 -149372.7653 299.0574 -183616.3117 -149277.0333 298.3721 -17.2116 18.6584 557372.9716 -15.2824 -15.1488 PRESSURE: 755000 144.073 -122.841 -16.4919 -122.84 178.653 8.21913 -16.4903 8.21943 152.534 GPRESSURE: 755000 182.553 -63.1332 -61.6989 -202.811 215.89 -40.9273 17.8467 -37.7679 186.87 PRESSAVG: 755000 -54.7875 -0.570908 52.6138 -0.570957 9.78585 -4.75854 52.6138 -4.75856 61.0917 GPRESSAVG: 755000 -55.5586 2.96361 51.1241 -2.59938 10.2325 -4.05305 55.7239 -7.40293 61.3976 TIMING: 755000 CPU: 2193.29, 0.00290097/step Wall: 2193.29, 0.00290097/step, 3.42073 hours remaining, 203.957031 MB of memory in use. ENERGY: 755000 759.4592 2105.4007 1985.0532 113.7241 -206740.6068 17989.6742 0.0000 0.0000 34282.6995 -149504.5959 299.3993 -183787.2954 -149412.7356 298.6154 158.4200 195.1043 555316.8130 5.3633 5.3572 PRESSURE: 755200 71.5157 211.837 -93.8268 211.837 118.792 -59.9009 -93.8269 -59.8995 -39.1574 GPRESSURE: 755200 152.299 116.765 -61.1547 188.248 82.2879 70.5222 -121.903 -88.6808 9.61149 PRESSAVG: 755200 -40.4171 32.4559 -30.0838 32.4559 -35.636 -14.0209 -30.0838 -14.0208 66.3233 GPRESSAVG: 755200 -40.1319 31.0546 -29.1845 32.8079 -36.1807 -15.5673 -32.6505 -12.634 66.7892 TIMING: 755200 CPU: 2193.87, 0.00292711/step Wall: 2193.87, 0.00292711/step, 3.45139 hours remaining, 203.957031 MB of memory in use. ENERGY: 755200 711.6774 2123.1612 1956.1932 112.8665 -206413.9552 17804.2081 0.0000 0.0000 34347.3726 -149358.4762 299.9641 -183705.8488 -149253.8645 298.8401 50.3834 81.3993 557075.6663 -3.2433 -3.1745 PRESSURE: 755400 60.984 36.9121 -17.1669 36.9123 315.083 -7.10088 -17.166 -7.10146 186.726 GPRESSURE: 755400 72.5596 5.05348 -14.3514 21.977 390.438 2.04212 -31.3842 1.01976 198.597 PRESSAVG: 755400 25.5138 20.3433 -28.4039 20.3433 -16.5967 8.60192 -28.4038 8.60182 15.0862 GPRESSAVG: 755400 26.6021 19.5307 -28.3798 20.0286 -16.8727 7.42136 -27.651 7.95462 13.9749 TIMING: 755400 CPU: 2194.45, 0.00289713/step Wall: 2194.45, 0.00289713/step, 3.41588 hours remaining, 203.957031 MB of memory in use. ENERGY: 755400 741.6783 2054.0890 1951.5316 122.5750 -206286.8530 17905.6090 0.0000 0.0000 34248.7587 -149262.6115 299.1029 -183511.3701 -149161.5093 299.5681 187.5976 220.5314 555031.6488 8.0011 7.9014 PRESSURE: 755600 195.233 91.6011 7.59338 91.6014 -66.048 -106.621 7.59544 -106.622 113.058 GPRESSURE: 755600 216.234 120.633 -26.7911 84.892 -8.99893 -101.339 -8.49027 -111.747 144.42 PRESSAVG: 755600 -31.735 16.2478 -1.22635 16.2479 -21.8852 -45.6381 -1.22635 -45.6382 11.3411 GPRESSAVG: 755600 -31.4118 15.1114 -2.43913 16.892 -21.8443 -46.5719 0.801661 -44.4956 11.4686 TIMING: 755600 CPU: 2195.03, 0.00288853/step Wall: 2195.03, 0.00288853/step, 3.40558 hours remaining, 203.957031 MB of memory in use. ENERGY: 755600 718.8950 2115.4242 1969.9447 127.9928 -206534.1676 17853.2603 0.0000 0.0000 34253.4770 -149495.1736 299.1441 -183748.6506 -149399.7962 298.3151 80.7476 117.2183 557626.9042 -14.0930 -13.9292 PRESSURE: 755800 -203.136 39.9493 51.3866 39.9488 -215.059 -23.4637 51.386 -23.4627 152.467 GPRESSURE: 755800 -154.153 73.2135 30.6004 -5.26987 -207.451 -6.90164 64.8394 -146.696 181.925 PRESSAVG: 755800 19.7396 27.1653 9.69132 27.1652 0.565405 -14.5049 9.69139 -14.5049 26.7285 GPRESSAVG: 755800 18.6869 28.844 10.4923 26.5175 1.11427 -14.8091 7.30741 -14.8406 27.4262 TIMING: 755800 CPU: 2195.61, 0.00289562/step Wall: 2195.61, 0.00289562/step, 3.41378 hours remaining, 203.957031 MB of memory in use. ENERGY: 755800 742.7927 2053.2810 1987.6868 125.3174 -206426.3612 17827.4541 0.0000 0.0000 34253.0993 -149436.7299 299.1408 -183689.8291 -149336.3012 298.5556 -88.5762 -59.8932 557692.0277 15.6778 15.7425 PRESSURE: 756000 19.1896 118.832 87.6288 118.832 -57.5107 -17.2523 87.6281 -17.2532 180.192 GPRESSURE: 756000 19.183 41.3805 -38.4723 169.481 4.5395 -47.7482 175.194 15.253 226.069 PRESSAVG: 756000 -34.5418 -2.67213 47.5122 -2.67208 -22.4736 -63.4389 47.5122 -63.4389 68.4439 GPRESSAVG: 756000 -34.166 -2.91893 47.6836 -2.65005 -22.5911 -61.4223 46.951 -63.9024 67.7138 TIMING: 756000 CPU: 2196.19, 0.00289883/step Wall: 2196.19, 0.00289883/step, 3.4174 hours remaining, 203.957031 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: 756000 721.4546 2085.0763 1981.6560 115.2617 -206376.7954 17879.5070 0.0000 0.0000 34240.5175 -149353.3223 299.0310 -183593.8398 -149262.4143 298.3339 47.2902 83.2639 557966.9089 3.8095 3.6522 PRESSURE: 756200 59.1165 -237.059 5.41944 -237.059 -156.119 -123.685 5.41934 -123.685 -241.722 GPRESSURE: 756200 94.3879 -263.754 -70.4324 -172.845 -102.943 -43.606 5.90082 -156.443 -217.735 PRESSAVG: 756200 -10.2034 11.3987 -6.66409 11.3987 9.97828 -37.8839 -6.66405 -37.8839 34.1771 GPRESSAVG: 756200 -10.5758 11.2585 -6.02698 11.2606 9.46039 -37.7768 -6.47893 -37.998 35.45 TIMING: 756200 CPU: 2196.77, 0.00291424/step Wall: 2196.77, 0.00291424/step, 3.4354 hours remaining, 203.957031 MB of memory in use. ENERGY: 756200 739.0996 2050.3326 2003.1582 110.0705 -205889.6499 17513.1577 0.0000 0.0000 34133.1166 -149340.7147 298.0930 -183473.8314 -149244.6853 298.5875 -112.9081 -75.4301 558682.1516 11.3173 11.4448 LDB: ============= START OF LOAD BALANCING ============== 2200.24 LDB: ============== END OF LOAD BALANCING =============== 2200.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2200.24 LDB: ============= START OF LOAD BALANCING ============== 2200.53 LDB: Largest compute 4827 load 0.028239 is 24.0% of average load 0.117614 LDB: Average compute 0.001720 is 1.5% of average load 0.117614 LDB: TIME 2200.53 LOAD: AVG 0.117614 MAX 0.177514 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.121 MB LDB: TIME 2200.53 LOAD: AVG 0.117614 MAX 0.177514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: TIME 2200.53 LOAD: AVG 0.117614 MAX 0.177514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2200.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2200.54 PRESSURE: 756400 78.8615 -145.454 -2.79539 -145.454 31.7942 15.6507 -2.79346 15.65 -55.1597 GPRESSURE: 756400 70.3164 -205.678 74.0262 -127.343 63.8057 16.5338 -26.9022 -1.00005 14.5409 PRESSAVG: 756400 65.7413 -55.5306 -4.66979 -55.5306 -16.7385 -18.0909 -4.6697 -18.0908 -33.7115 GPRESSAVG: 756400 64.8402 -56.9646 -6.39745 -54.4189 -15.8452 -16.7739 -3.72811 -18.6946 -34.6169 TIMING: 756400 CPU: 2197.36, 0.00295889/step Wall: 2197.36, 0.00295889/step, 3.48787 hours remaining, 204.507812 MB of memory in use. ENERGY: 756400 680.1975 2108.0751 1961.9797 115.7953 -206358.3138 18007.9178 0.0000 0.0000 34176.2215 -149308.1268 298.4694 -183484.3483 -149200.3282 298.8222 18.4987 49.5543 559224.1556 5.0971 4.7927 PRESSURE: 756600 -206.31 142.052 55.4988 142.052 -178.238 149.353 55.4986 149.354 -183.239 GPRESSURE: 756600 -223.969 93.7184 -100.355 91.6032 -69.3103 139.705 149.383 137.031 -183.291 PRESSAVG: 756600 -53.8107 -43.2583 -14.2374 -43.2584 8.84056 7.33135 -14.2375 7.33129 70.2517 GPRESSAVG: 756600 -53.9681 -42.2351 -12.8193 -45.927 8.3442 5.18506 -14.8908 8.1814 70.9917 TIMING: 756600 CPU: 2197.94, 0.00289718/step Wall: 2197.94, 0.00289718/step, 3.41497 hours remaining, 204.710938 MB of memory in use. ENERGY: 756600 761.4486 2034.3810 1984.4519 102.0928 -205960.7739 17513.8105 0.0000 0.0000 34283.6765 -149280.9126 299.4079 -183564.5891 -149181.4057 298.7220 -189.2621 -158.8568 557577.6028 8.4272 8.4559 PRESSURE: 756800 246.521 -46.0127 -113.992 -46.0121 133.385 97.8399 -113.993 97.8381 62.8996 GPRESSURE: 756800 200.686 20.3142 -190.461 -96.1786 203.38 112.262 -78.7082 144.756 138.688 PRESSAVG: 756800 13.8459 -66.2404 -57.3006 -66.2404 49.9972 36.456 -57.3006 36.4559 -42.5135 GPRESSAVG: 756800 14.5006 -68.063 -56.295 -64.2532 47.8698 35.4208 -57.3562 35.7077 -41.1078 TIMING: 756800 CPU: 2198.52, 0.00288675/step Wall: 2198.52, 0.00288675/step, 3.40251 hours remaining, 204.710938 MB of memory in use. ENERGY: 756800 743.9238 2112.2416 1985.3377 122.3499 -206759.5438 18050.0345 0.0000 0.0000 34504.2910 -149241.3655 301.3346 -183745.6565 -149149.9228 299.5173 147.6019 180.9177 555796.2756 7.1098 7.0875 PRESSURE: 757000 48.5403 -74.9062 75.5101 -74.9067 173.903 -123.85 75.5092 -123.85 143.67 GPRESSURE: 757000 173.99 -44.0921 98.2626 -16.0834 165.553 -128.121 76.645 -162.775 118.671 PRESSAVG: 757000 -18.0387 -18.8312 -52.8878 -18.8312 33.6732 -7.59936 -52.8877 -7.5994 2.3609 GPRESSAVG: 757000 -17.0551 -15.3385 -53.9821 -20.4762 34.9417 -6.24315 -52.6304 -8.74307 0.634305 TIMING: 757000 CPU: 2199.1, 0.00288304/step Wall: 2199.1, 0.00288304/step, 3.39799 hours remaining, 204.710938 MB of memory in use. ENERGY: 757000 768.0926 2101.1778 1976.5355 109.0996 -206382.2519 17948.6467 0.0000 0.0000 34261.4450 -149217.2547 299.2137 -183478.6997 -149124.3668 299.3875 122.0375 152.7379 556824.0820 5.9985 6.1736 PRESSURE: 757200 62.3111 -66.0908 30.3055 -66.0899 70.6547 54.0593 30.3056 54.0575 99.6034 GPRESSURE: 757200 98.3148 -8.91202 -44.782 -46.8951 72.9205 111.431 15.6948 -48.8593 154.423 PRESSAVG: 757200 6.1664 -45.2165 23.1538 -45.2165 25.1787 -40.6856 23.1538 -40.6856 -6.48323 GPRESSAVG: 757200 5.80376 -45.463 23.5305 -45.0471 25.2727 -39.2368 23.1209 -40.1192 -6.48851 TIMING: 757200 CPU: 2199.68, 0.00289613/step Wall: 2199.68, 0.00289613/step, 3.41325 hours remaining, 204.710938 MB of memory in use. ENERGY: 757200 702.4639 2136.7208 1981.5551 116.1288 -206216.0512 17947.8257 0.0000 0.0000 34177.9007 -149153.4562 298.4841 -183331.3569 -149052.5158 299.8841 77.5230 108.5526 557929.6298 8.2873 8.1960 PRESSURE: 757400 -218.245 -1.68206 113.494 -1.6821 28.0743 96.8348 113.493 96.8334 -89.563 GPRESSURE: 757400 -184.843 8.53056 81.975 -122.766 106.629 94.0191 158.674 92.7397 -102.253 PRESSAVG: 757400 -17.3234 43.057 -17.2194 43.057 -3.91118 -6.10495 -17.2194 -6.10505 -9.99782 GPRESSAVG: 757400 -17.1255 42.6322 -17.1671 44.2961 -4.11671 -8.91362 -16.2877 -5.02569 -10.1631 TIMING: 757400 CPU: 2200.25, 0.00288402/step Wall: 2200.25, 0.00288402/step, 3.39882 hours remaining, 204.710938 MB of memory in use. ENERGY: 757400 782.8256 2122.7293 1980.8675 94.8580 -206050.3910 17823.8029 0.0000 0.0000 34102.4550 -149142.8528 297.8252 -183245.3078 -149052.6045 299.7622 -93.2445 -60.1557 556389.6269 -10.4108 -10.4684 PRESSURE: 757600 -176.776 22.3068 76.7348 22.3078 -78.2024 33.358 76.7353 33.358 101.574 GPRESSURE: 757600 -56.7202 -26.4038 132.675 19.6519 -95.514 98.7917 33.2859 59.4777 109.959 PRESSAVG: 757600 12.3598 3.88647 28.4307 3.88648 -41.773 68.0934 28.4307 68.0934 51.597 GPRESSAVG: 757600 12.5459 2.56932 27.8218 4.5383 -42.4349 70.3856 27.556 65.3614 52.3049 TIMING: 757600 CPU: 2200.83, 0.00288173/step Wall: 2200.83, 0.00288173/step, 3.39596 hours remaining, 204.710938 MB of memory in use. ENERGY: 757600 762.0915 2165.4875 1975.1192 120.4707 -206350.4852 17793.4199 0.0000 0.0000 34183.9421 -149349.9542 298.5369 -183533.8963 -149255.8133 299.0148 -51.1346 -14.0918 557414.5643 7.3946 7.4720 PRESSURE: 757800 -329.471 -54.3276 47.6495 -54.3274 -322.748 -18.5097 47.6489 -18.5093 -327.167 GPRESSURE: 757800 -293.729 -24.4611 97.9656 -80.6078 -218.241 -90.802 -101.501 4.26406 -372.215 PRESSAVG: 757800 -7.60171 18.0898 37.129 18.0896 -14.6993 26.7094 37.1291 26.7093 31.8847 GPRESSAVG: 757800 -7.44621 19.16 38.0068 15.4867 -13.5023 26.019 36.0008 28.4246 30.2879 TIMING: 757800 CPU: 2201.4, 0.00288007/step Wall: 2201.4, 0.00288007/step, 3.39385 hours remaining, 204.710938 MB of memory in use. ENERGY: 757800 745.2167 2115.2357 1973.5721 107.7820 -205765.9155 17374.0255 0.0000 0.0000 34245.7266 -149204.3570 299.0764 -183450.0836 -149106.6764 298.7640 -326.4619 -294.7283 558565.4968 3.1946 3.1132 PRESSURE: 758000 -35.7473 -107.671 49.906 -107.67 -42.1895 78.9445 49.9052 78.9437 166.408 GPRESSURE: 758000 -79.5238 -84.2493 80.6004 -132.735 72.6465 25.4124 62.2816 71.9856 181.976 PRESSAVG: 758000 26.2952 -40.3316 1.9728 -40.3316 -25.8984 56.7203 1.97265 56.7204 20.4071 GPRESSAVG: 758000 25.9123 -38.9336 1.29429 -41.4623 -25.1411 55.044 2.66736 59.3543 20.3623 TIMING: 758000 CPU: 2201.98, 0.00288887/step Wall: 2201.98, 0.00288887/step, 3.40405 hours remaining, 204.710938 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: 758000 776.6275 2120.8819 1944.1183 114.8643 -206370.8603 17918.1310 0.0000 0.0000 34213.8637 -149282.3736 298.7982 -183496.2373 -149180.2713 299.1286 29.4903 58.3662 557601.1293 6.9346 7.0445 PRESSURE: 758200 -208.319 -16.7521 20.0086 -16.7514 -68.3022 176.797 20.0087 176.798 -172.349 GPRESSURE: 758200 -204.829 83.1913 -19.4193 -68.1825 -81.4539 184.457 14.8998 240.394 -53.1934 PRESSAVG: 758200 33.513 -3.13431 42.3249 -3.13436 -49.731 58.4076 42.3249 58.4077 0.864421 GPRESSAVG: 758200 33.8179 -5.54757 40.7809 0.688777 -49.725 59.7023 42.1965 57.6077 1.43875 TIMING: 758200 CPU: 2202.56, 0.00289061/step Wall: 2202.56, 0.00289061/step, 3.40594 hours remaining, 204.710938 MB of memory in use. ENERGY: 758200 731.5622 2106.1435 1983.0796 103.0304 -205588.5549 17349.5057 0.0000 0.0000 34130.0193 -149185.2142 298.0659 -183315.2335 -149094.9383 298.7451 -149.6569 -113.1586 557508.0066 -5.1178 -4.8228 PRESSURE: 758400 -29.9696 69.5071 -29.6351 69.5079 -186.199 -61.3797 -29.6359 -61.3796 -61.4374 GPRESSURE: 758400 49.6016 170.812 -42.6751 96.2531 -141.814 -59.5669 42.7665 -47.0563 -86.9803 PRESSAVG: 758400 30.8053 16.4748 15.6725 16.4749 13.1299 0.0894348 15.6725 0.0894241 -5.21962 GPRESSAVG: 758400 29.4817 20.3432 17.8182 17.0402 14.2692 -1.51006 15.334 -0.0717598 -4.62351 TIMING: 758400 CPU: 2203.14, 0.00290807/step Wall: 2203.14, 0.00290807/step, 3.42636 hours remaining, 204.710938 MB of memory in use. ENERGY: 758400 762.4308 2094.7633 1975.3638 103.3830 -206218.1397 17760.3303 0.0000 0.0000 34124.8823 -149396.9863 298.0211 -183521.8686 -149292.9809 299.5553 -92.5352 -59.7310 556636.7025 12.9052 13.0425 PRESSURE: 758600 119.721 -30.6383 134.142 -30.6388 35.8254 -89.1458 134.141 -89.1457 -56.4009 GPRESSURE: 758600 116.72 -16.9658 219.025 -95.3928 102.353 -100.697 56.0411 -124.02 -22.0016 PRESSAVG: 758600 64.2199 -11.346 -13.5949 -11.3461 -49.7953 -13.6455 -13.5948 -13.6456 4.96746 GPRESSAVG: 758600 64.9909 -14.4392 -14.1884 -12.8861 -50.4095 -13.0301 -13.826 -15.3444 4.86946 TIMING: 758600 CPU: 2203.72, 0.00288935/step Wall: 2203.72, 0.00288935/step, 3.40413 hours remaining, 204.910156 MB of memory in use. ENERGY: 758600 748.6186 2098.1297 1996.7065 117.4581 -206312.9105 17776.1878 0.0000 0.0000 34167.8527 -149407.9573 298.3964 -183575.8100 -149310.8190 298.9517 33.0486 65.6905 556066.5354 6.4640 6.4836 PRESSURE: 758800 39.4775 82.6834 -92.2838 82.6827 2.48394 -71.8842 -92.2844 -71.8852 16.7019 GPRESSURE: 758800 58.0841 92.025 -98.7486 104.19 35.1427 -92.6351 -159.384 -137.423 55.2213 PRESSAVG: 758800 25.5027 2.65793 -62.4621 2.65799 -2.17137 -22.628 -62.4621 -22.6281 19.0175 GPRESSAVG: 758800 26.5059 4.26686 -62.2682 2.21194 -3.5006 -23.6172 -62.2652 -19.4032 19.6409 TIMING: 758800 CPU: 2204.3, 0.00287663/step Wall: 2204.3, 0.00287663/step, 3.38899 hours remaining, 204.910156 MB of memory in use. ENERGY: 758800 707.9616 2136.7748 1987.0440 121.4686 -206276.5030 17793.8039 0.0000 0.0000 34124.4922 -149404.9580 298.0177 -183529.4502 -149309.6820 298.3855 19.5544 49.4827 555615.2568 14.1163 14.2154 PRESSURE: 759000 -125.772 -51.2384 -27.6296 -51.2383 -47.4059 71.4044 -27.63 71.405 -46.0451 GPRESSURE: 759000 -84.7814 -14.4712 22.9545 -11.694 -95.3659 -17.5842 -59.9569 61.4779 61.8132 PRESSAVG: 759000 -7.92601 49.8553 -50.4386 49.8553 58.6345 53.2589 -50.4386 53.2588 -63.3955 GPRESSAVG: 759000 -6.66673 50.3171 -50.6237 50.5146 58.4864 54.9763 -50.5272 50.8412 -63.6706 TIMING: 759000 CPU: 2204.87, 0.00289401/step Wall: 2204.87, 0.00289401/step, 3.40931 hours remaining, 204.910156 MB of memory in use. ENERGY: 759000 751.1956 2102.9026 1964.0301 122.8699 -206030.4910 17685.4933 0.0000 0.0000 34113.9026 -149290.0969 297.9252 -183403.9996 -149196.8617 298.9888 -73.0744 -39.4447 556853.3714 -4.2290 -3.9503 PRESSURE: 759200 33.3815 136.374 -110.76 136.375 -46.4353 -43.7157 -110.76 -43.717 -119.186 GPRESSURE: 759200 85.153 104.099 -218.351 175.307 34.0482 -14.3625 -35.5218 -73.7022 -155.609 PRESSAVG: 759200 36.3806 -34.4151 -28.6915 -34.4151 -2.16309 77.3108 -28.6916 77.3107 -37.8593 GPRESSAVG: 759200 35.5905 -36.5718 -28.5939 -33.6813 -1.27871 77.9529 -30.2291 75.7123 -38.3051 TIMING: 759200 CPU: 2205.45, 0.00290362/step Wall: 2205.45, 0.00290362/step, 3.42046 hours remaining, 204.910156 MB of memory in use. ENERGY: 759200 778.0288 2091.4321 1960.2692 128.0760 -206135.1727 17689.4468 0.0000 0.0000 34134.7357 -149353.1841 298.1071 -183487.9198 -149262.3214 298.6485 -44.0801 -12.1360 555929.9725 -1.2139 -1.3311 PRESSURE: 759400 310.24 117.914 220.081 117.913 468.384 -59.7744 220.081 -59.7728 180.667 GPRESSURE: 759400 274.226 126.236 166.566 55.4728 516.266 -17.8056 215.376 -61.1129 255.931 PRESSAVG: 759400 2.98478 -3.13675 -14.1626 -3.13682 -60.4769 -29.9891 -14.1625 -29.9891 32.4 GPRESSAVG: 759400 2.85877 -0.152154 -14.2773 -4.32659 -59.7563 -29.0664 -11.8356 -28.6982 31.9989 TIMING: 759400 CPU: 2206.03, 0.00288914/step Wall: 2206.03, 0.00288914/step, 3.40324 hours remaining, 204.910156 MB of memory in use. ENERGY: 759400 706.7847 2141.9580 1964.9308 126.8482 -206703.1773 18141.4179 0.0000 0.0000 34115.4260 -149505.8118 297.9385 -183621.2378 -149405.2881 298.4779 319.7638 348.8078 554761.9794 -8.3640 -8.2995 PRESSURE: 759600 145.43 38.0623 80.4199 38.0622 -222.184 -12.0812 80.4204 -12.08 137.091 GPRESSURE: 759600 192.55 97.4228 114.314 79.3866 -163.589 -56.3289 43.5902 24.3134 128.701 PRESSAVG: 759600 15.5512 81.9719 60.8712 81.9718 -16.504 -43.9094 60.8712 -43.9094 -1.81223 GPRESSAVG: 759600 15.4727 78.8055 61.456 84.4563 -17.3186 -44.1812 60.6147 -44.4641 -1.3725 TIMING: 759600 CPU: 2206.61, 0.00289377/step Wall: 2206.61, 0.00289377/step, 3.40854 hours remaining, 204.910156 MB of memory in use. ENERGY: 759600 765.8094 2094.6119 1971.0834 115.0972 -206763.7143 17998.4462 0.0000 0.0000 34160.2206 -149658.4457 298.3297 -183818.6663 -149559.0012 298.5191 20.1126 52.5545 556280.3176 -0.9217 -1.0728 PRESSURE: 759800 -97.2729 -1.71922 57.2611 -1.72011 31.3886 94.5441 57.2616 94.5451 -101.109 GPRESSURE: 759800 -31.9912 28.1667 53.119 -8.50045 16.1908 71.0808 44.6285 167.632 -50.5772 PRESSAVG: 759800 -15.0096 52.5033 0.810242 52.5032 21.7812 5.19211 0.810277 5.19217 -25.3814 GPRESSAVG: 759800 -15.3162 55.5099 -0.480142 49.2988 21.4245 1.42659 1.07962 8.70584 -24.5748 TIMING: 759800 CPU: 2207.19, 0.00289892/step Wall: 2207.19, 0.00289892/step, 3.41444 hours remaining, 204.910156 MB of memory in use. ENERGY: 759800 784.7497 2124.8194 1972.4049 98.5574 -206535.9283 17870.3056 0.0000 0.0000 34159.8445 -149525.2468 298.3264 -183685.0913 -149428.1407 299.0110 -55.6645 -22.1259 557452.6137 -6.2033 -6.1555 PRESSURE: 760000 21.7037 46.1972 -25.6981 46.1966 -99.2728 -61.0442 -25.6975 -61.0442 -280.137 GPRESSURE: 760000 26.8964 -1.60173 -9.75351 75.5097 -80.0792 -47.9228 -76.921 12.0967 -215.983 PRESSAVG: 760000 31.5585 47.7268 6.24914 47.7268 -57.7071 84.0891 6.24913 84.0892 17.2407 GPRESSAVG: 760000 32.08 45.6993 8.59561 47.1939 -57.9578 85.724 4.34009 81.8792 16.4754 TIMING: 760000 CPU: 2207.77, 0.00288682/step Wall: 2207.77, 0.00288682/step, 3.40003 hours remaining, 204.910156 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: 760000 763.9901 2102.2507 1958.3462 110.1889 -206233.2192 17704.6529 0.0000 0.0000 34006.5779 -149587.2125 296.9879 -183593.7905 -149493.0249 298.4581 -119.2355 -89.7219 557696.5119 -2.9693 -3.1341 PRESSURE: 760200 -33.1836 67.0997 -259.671 67.0995 -206.721 -3.93564 -259.672 -3.93721 -106.405 GPRESSURE: 760200 2.44109 90.0236 -301.882 34.486 -242.962 -79.6179 -148.331 31.4418 -8.09698 PRESSAVG: 760200 -37.7791 12.6485 -5.68368 12.6485 7.76842 77.8774 -5.6837 77.8774 30.0051 GPRESSAVG: 760200 -37.907 13.4695 -7.95751 14.0454 7.05146 78.6733 -2.80967 75.9836 30.3745 TIMING: 760200 CPU: 2208.35, 0.00291541/step Wall: 2208.35, 0.00291541/step, 3.43354 hours remaining, 204.910156 MB of memory in use. ENERGY: 760200 746.0869 2086.2566 1967.6036 125.3812 -206220.6903 17565.1510 0.0000 0.0000 34201.3382 -149528.8728 298.6888 -183730.2110 -149435.5247 298.9424 -115.4367 -82.8725 556872.1856 -0.0019 -0.1603 LDB: ============= START OF LOAD BALANCING ============== 2211.82 LDB: ============== END OF LOAD BALANCING =============== 2211.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2211.82 LDB: ============= START OF LOAD BALANCING ============== 2212.11 LDB: Largest compute 4827 load 0.029864 is 25.4% of average load 0.117588 LDB: Average compute 0.001731 is 1.5% of average load 0.117588 LDB: TIME 2212.11 LOAD: AVG 0.117588 MAX 0.17803 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.863 MB LDB: TIME 2212.11 LOAD: AVG 0.117588 MAX 0.17803 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: TIME 2212.11 LOAD: AVG 0.117588 MAX 0.17803 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: ============== END OF LOAD BALANCING =============== 2212.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2212.12 PRESSURE: 760400 -106.477 -1.77339 -56.4973 -1.77446 -265.052 130.686 -56.4972 130.684 -25.6264 GPRESSURE: 760400 -84.9339 45.5372 -31.095 12.4477 -245.291 59.6157 -58.4761 125.053 32.9427 PRESSAVG: 760400 16.6916 0.60721 -25.6959 0.607152 7.18925 45.6054 -25.6959 45.6052 -17.0948 GPRESSAVG: 760400 15.6818 -0.586523 -26.3402 0.977059 8.2791 43.8507 -27.0401 47.4697 -17.107 TIMING: 760400 CPU: 2208.94, 0.00296613/step Wall: 2208.94, 0.00296613/step, 3.49311 hours remaining, 203.648438 MB of memory in use. ENERGY: 760400 751.7318 2009.8789 1985.2233 125.7382 -205853.0890 17467.0459 0.0000 0.0000 34115.1415 -149398.3295 297.9360 -183513.4710 -149301.2487 298.4929 -132.3850 -99.0942 555764.7611 2.2620 2.2846 PRESSURE: 760600 14.5387 -205.143 147.217 -205.143 -274.033 -120.394 147.216 -120.394 -44.5453 GPRESSURE: 760600 25.6444 -186.159 64.8582 -196.316 -231.61 -13.368 82.3335 -114.149 -6.32654 PRESSAVG: 760600 12.1044 4.89703 66.9526 4.89705 11.4941 -3.61848 66.9525 -3.61838 14.0808 GPRESSAVG: 760600 11.7551 4.70639 67.593 4.00726 12.4308 0.12512 67.2316 -4.75406 13.6234 TIMING: 760600 CPU: 2209.53, 0.00290351/step Wall: 2209.53, 0.00290351/step, 3.4192 hours remaining, 204.218750 MB of memory in use. ENERGY: 760600 718.4552 2082.0815 1954.0961 110.8447 -206068.8985 17539.5066 0.0000 0.0000 34222.7515 -149441.1628 298.8758 -183663.9143 -149336.5197 298.5477 -101.3467 -70.7640 557697.5948 12.5598 12.6031 PRESSURE: 760800 -34.385 8.4366 0.391404 8.43665 -117.698 -70.3479 0.391914 -70.3478 -21.6543 GPRESSURE: 760800 14.5121 4.75103 2.44119 -21.6713 -88.4857 -158.674 -33.4309 -62.5736 5.13816 PRESSAVG: 760800 -7.26831 -46.113 -20.0118 -46.1129 -36.1301 1.79079 -20.0117 1.7908 29.5265 GPRESSAVG: 760800 -8.31699 -46.3796 -19.8042 -45.5037 -36.4993 0.637035 -20.9614 3.53792 30.2 TIMING: 760800 CPU: 2210.11, 0.00290445/step Wall: 2210.11, 0.00290445/step, 3.42015 hours remaining, 204.265625 MB of memory in use. ENERGY: 760800 781.4739 2078.4052 1973.4473 113.2861 -206537.9473 18001.6504 0.0000 0.0000 34262.6246 -149327.0598 299.2240 -183589.6844 -149231.1070 298.8236 -57.9126 -22.9451 558930.3234 -4.6240 -4.8721 PRESSURE: 761000 -123.136 -135.58 168.924 -135.581 -151.663 -14.5953 168.924 -14.5952 -71.7372 GPRESSURE: 761000 -105.914 -137.714 162.102 -141.093 -102.495 -97.6529 207.279 -0.0579756 -39.4486 PRESSAVG: 761000 3.54932 -49.6769 48.4016 -49.677 0.416766 59.6177 48.4016 59.6176 45.5228 GPRESSAVG: 761000 3.95363 -47.7928 50.2397 -50.6682 0.379534 57.3697 47.8124 59.64 45.4539 TIMING: 761000 CPU: 2210.69, 0.00290596/step Wall: 2210.69, 0.00290596/step, 3.42176 hours remaining, 204.265625 MB of memory in use. ENERGY: 761000 760.6041 2099.6827 1964.5765 122.8779 -206082.5733 17664.0056 0.0000 0.0000 34241.4442 -149229.3822 299.0390 -183470.8264 -149133.1424 298.9202 -115.5122 -82.6193 556935.3975 16.4963 16.5957 PRESSURE: 761200 -151.766 -33.7715 27.9991 -33.7719 -5.3238 232.862 28.0003 232.861 26.646 GPRESSURE: 761200 -184.81 25.4288 11.8321 -28.898 31.7546 136.974 63.3628 248.511 116.932 PRESSAVG: 761200 -72.8933 -21.9585 56.5582 -21.9585 42.8465 51.4929 56.5582 51.4931 57.5158 GPRESSAVG: 761200 -73.0537 -22.1755 54.9952 -23.6331 42.7742 53.2276 56.6943 49.4367 57.1703 TIMING: 761200 CPU: 2211.27, 0.00289052/step Wall: 2211.27, 0.00289052/step, 3.40343 hours remaining, 204.265625 MB of memory in use. ENERGY: 761200 783.5562 2130.3189 1970.2473 122.0921 -206069.2011 17702.4068 0.0000 0.0000 34095.0573 -149265.5224 297.7606 -183360.5797 -149165.1079 298.9030 -43.4811 -12.0412 558123.7547 9.1563 8.9636 PRESSURE: 761400 -94.1066 98.0337 26.8245 98.0327 -33.0434 -113.553 26.8235 -113.554 55.381 GPRESSURE: 761400 -82.1098 131.529 75.811 210.805 43.8729 -77.6205 -8.99467 -79.3208 75.4739 PRESSAVG: 761400 -98.2808 -31.5797 -6.53196 -31.5796 -15.1366 76.3319 -6.53193 76.3319 97.0731 GPRESSAVG: 761400 -97.3422 -34.9236 -7.40685 -27.7937 -15.1308 75.4178 -6.38984 77.6764 96.2328 TIMING: 761400 CPU: 2211.84, 0.00288475/step Wall: 2211.84, 0.00288475/step, 3.39648 hours remaining, 204.265625 MB of memory in use. ENERGY: 761400 733.1191 2101.2080 1979.6072 120.9715 -206240.8562 17797.2928 0.0000 0.0000 34387.6392 -149121.0184 300.3158 -183508.6576 -149022.0626 299.5519 -23.9230 12.4124 557034.4922 -5.4481 -5.4134 PRESSURE: 761600 -11.2674 89.0793 -18.2766 89.0811 -9.93485 102.392 -18.2757 102.39 97.1391 GPRESSURE: 761600 16.2659 38.8511 11.0384 12.5191 59.9058 73.1968 -59.6996 89.1483 92.4764 PRESSAVG: 761600 -9.04643 -11.7194 -13.1001 -11.7194 -38.2572 2.2262 -13.1 2.22628 25.9935 GPRESSAVG: 761600 -9.36496 -8.80105 -11.6811 -15.6767 -38.4349 0.386407 -11.92 3.41601 25.7868 TIMING: 761600 CPU: 2212.42, 0.00287863/step Wall: 2212.42, 0.00287863/step, 3.38911 hours remaining, 204.265625 MB of memory in use. ENERGY: 761600 741.8190 2145.2904 1984.8221 115.6128 -206222.9270 17868.7769 0.0000 0.0000 34352.4792 -149014.1266 300.0087 -183366.6058 -148923.4529 300.1763 25.3123 56.2160 559033.1920 -7.1034 -7.3377 PRESSURE: 761800 -86.0602 -145.438 -8.29307 -145.438 11.1604 -19.0798 -8.29379 -19.0798 -59.2486 GPRESSURE: 761800 -94.1236 -30.2129 -11.9889 -163 75.2939 22.5814 55.5206 -4.26032 -9.26916 PRESSAVG: 761800 -7.74964 -24.4763 56.5536 -24.4764 8.82255 -23.6215 56.5535 -23.6215 1.68255 GPRESSAVG: 761800 -7.89298 -24.1839 55.7526 -23.4737 8.04844 -20.21 55.7967 -25.5244 2.62602 TIMING: 761800 CPU: 2212.99, 0.00287944/step Wall: 2212.99, 0.00287944/step, 3.3899 hours remaining, 204.265625 MB of memory in use. ENERGY: 761800 733.4247 2072.9525 1985.8557 102.7887 -205910.8739 17785.0188 0.0000 0.0000 34179.0816 -149051.7519 298.4944 -183230.8335 -148961.1175 299.1642 -44.7161 -9.3663 558999.5036 0.9185 0.9272 PRESSURE: 762000 -179.273 81.738 -9.42726 81.7386 -85.1133 27.6712 -9.42626 27.6722 -251.775 GPRESSURE: 762000 -148.033 91.016 136.908 63.183 -84.2113 25.0251 -51.9311 71.7498 -183.919 PRESSAVG: 762000 -76.969 -27.9965 2.46235 -27.9965 32.3851 22.1184 2.46244 22.1185 39.3712 GPRESSAVG: 762000 -76.1892 -29.4108 3.56071 -26.4329 33.0262 20.2236 0.533436 22.8865 38.5763 TIMING: 762000 CPU: 2213.57, 0.00288752/step Wall: 2213.57, 0.00288752/step, 3.39926 hours remaining, 204.265625 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: 762000 758.1423 2075.6730 1993.5651 122.7658 -206145.7174 17655.3765 0.0000 0.0000 34430.8149 -149109.3799 300.6929 -183540.1948 -149005.7575 300.0757 -172.0538 -138.7212 558368.5488 -1.7376 -1.5289 PRESSURE: 762200 6.76586 135.136 6.85931 135.136 -61.4195 -22.5057 6.85879 -22.5072 93.8627 GPRESSURE: 762200 23.3975 95.4065 31.1614 138.333 -23.726 -92.2455 36.9815 18.7982 145.536 PRESSAVG: 762200 -32.0796 28.2269 14.4588 28.2269 5.95225 -34.179 14.4587 -34.179 44.5868 GPRESSAVG: 762200 -32.6121 25.4923 16.0132 28.1476 5.67038 -33.4869 15.1274 -34.365 45.0476 TIMING: 762200 CPU: 2214.15, 0.00287444/step Wall: 2214.15, 0.00287444/step, 3.38369 hours remaining, 204.265625 MB of memory in use. ENERGY: 762200 709.5052 2093.6188 1980.8249 113.6287 -206065.4237 17752.6975 0.0000 0.0000 34343.2075 -149071.9410 299.9278 -183415.1486 -148974.6032 298.8878 13.0697 48.4026 558128.9507 6.1532 6.0353 PRESSURE: 762400 122.577 23.3093 165.319 23.3094 -194.377 4.07902 165.318 4.07971 -69.8209 GPRESSURE: 762400 101.809 -30.8266 209.68 111.612 -137.328 11.7138 156.498 -41.3895 1.61013 PRESSAVG: 762400 15.5629 1.78277 6.36228 1.78276 -85.3631 -30.5908 6.36224 -30.5906 6.09518 GPRESSAVG: 762400 15.4473 5.17684 4.20816 0.518347 -85.7248 -29.8078 7.6592 -31.7778 5.94902 TIMING: 762400 CPU: 2214.72, 0.00289252/step Wall: 2214.72, 0.00289252/step, 3.40481 hours remaining, 204.265625 MB of memory in use. ENERGY: 762400 779.8054 2059.0857 1990.2366 108.0003 -206252.8579 17939.9606 0.0000 0.0000 34407.5336 -148968.2358 300.4895 -183375.7693 -148862.6459 300.1654 -47.2070 -11.3030 556837.5170 -21.2350 -21.4428 PRESSURE: 762600 -203.725 63.7766 -35.5922 63.7774 -134.724 17.0248 -35.5919 17.0259 -48.7635 GPRESSURE: 762600 -198.901 154.455 -48.4644 46.382 -65.9203 -16.2708 -6.2993 76.2249 -24.9428 PRESSAVG: 762600 57.1765 21.7792 -7.27614 21.7793 -42.1413 -48.1734 -7.27619 -48.1735 -0.369905 GPRESSAVG: 762600 56.9661 20.7393 -5.96504 23.1397 -42.1663 -49.0946 -7.26927 -47.1965 -0.114095 TIMING: 762600 CPU: 2215.3, 0.00288302/step Wall: 2215.3, 0.00288302/step, 3.39348 hours remaining, 204.265625 MB of memory in use. ENERGY: 762600 786.6073 2052.9996 1972.3620 127.5743 -206225.4363 17806.0216 0.0000 0.0000 34511.4448 -148968.4267 301.3970 -183479.8715 -148874.4138 299.6933 -129.0707 -96.5882 556755.9193 4.8884 4.8952 PRESSURE: 762800 -253.291 21.4436 -71.6084 21.4443 -89.3762 -107.939 -71.6082 -107.94 -275.728 GPRESSURE: 762800 -182.52 -46.6583 -13.9787 48.5304 -106.148 14.0865 -99.8393 -129.045 -231.972 PRESSAVG: 762800 8.16285 -13.1707 10.2981 -13.1706 27.9537 -27.8599 10.2981 -27.8599 -31.9867 GPRESSAVG: 762800 7.62017 -15.0287 8.93045 -12.514 27.8238 -26.1322 10.94 -29.922 -32.0456 TIMING: 762800 CPU: 2215.88, 0.00287565/step Wall: 2215.88, 0.00287565/step, 3.38464 hours remaining, 204.265625 MB of memory in use. ENERGY: 762800 778.5606 2064.1006 1979.0472 131.7598 -205400.9926 17333.3037 0.0000 0.0000 34221.5935 -148892.6274 298.8657 -183114.2209 -148795.0938 299.8758 -206.1318 -173.5469 558579.1767 1.3766 1.1328 PRESSURE: 763000 -120.735 -80.6636 25.7876 -80.6638 -171.991 37.478 25.7873 37.477 -147.81 GPRESSURE: 763000 -69.0612 -181.887 69.3528 -59.8325 -144.55 2.05991 37.9764 43.7889 -123.525 PRESSAVG: 763000 37.2127 -40.8545 2.56721 -40.8545 -21.7245 -8.84792 2.56717 -8.84807 -24.2539 GPRESSAVG: 763000 36.8297 -40.748 1.48322 -38.3508 -21.8603 -8.56597 1.64523 -7.24418 -23.9214 TIMING: 763000 CPU: 2216.46, 0.00290386/step Wall: 2216.46, 0.00290386/step, 3.41768 hours remaining, 204.265625 MB of memory in use. ENERGY: 763000 764.0153 2092.7171 1965.8294 113.3575 -205806.1275 17620.2482 0.0000 0.0000 34261.4599 -148988.5001 299.2139 -183249.9601 -148896.7810 300.1233 -146.8451 -112.3788 557127.6760 -2.9219 -2.9840 PRESSURE: 763200 -8.16391 83.2321 -71.8713 83.2315 -4.00502 -38.319 -71.8717 -38.3164 -55.3103 GPRESSURE: 763200 -24.2645 65.3501 -74.628 138.385 55.6969 -34.8248 -17.671 65.3608 12.2532 PRESSAVG: 763200 -25.3015 -12.365 -35.4989 -12.365 104.506 14.4171 -35.4989 14.4172 -76.482 GPRESSAVG: 763200 -24.871 -12.2247 -35.2911 -14.0314 104.906 13.3444 -35.2122 13.8465 -77.0562 TIMING: 763200 CPU: 2217.04, 0.00291613/step Wall: 2217.04, 0.00291613/step, 3.43196 hours remaining, 204.265625 MB of memory in use. ENERGY: 763200 769.1642 2048.5894 1975.9114 117.7380 -205754.7573 17752.5176 0.0000 0.0000 34363.4546 -148727.3819 300.1046 -183090.8365 -148633.3803 299.8704 -22.4931 14.5618 557210.3638 0.9075 0.9929 PRESSURE: 763400 -259.058 -31.5205 -37.8173 -31.5207 -226.376 19.22 -37.8175 19.2191 -303.165 GPRESSURE: 763400 -241.098 22.9959 -6.39743 -83.3284 -181.651 -18.268 -94.095 36.1113 -273.931 PRESSAVG: 763400 -4.34564 -14.0576 -45.5086 -14.0575 68.3716 -29.1523 -45.5087 -29.1523 -40.2283 GPRESSAVG: 763400 -3.91572 -13.79 -44.2425 -14.8073 68.5282 -31.2741 -45.8318 -28.5654 -40.817 TIMING: 763400 CPU: 2217.62, 0.00289485/step Wall: 2217.62, 0.00289485/step, 3.40676 hours remaining, 204.265625 MB of memory in use. ENERGY: 763400 758.4655 2110.1298 1961.1616 106.6522 -205303.2505 17271.3393 0.0000 0.0000 34316.7955 -148778.7066 299.6971 -183095.5021 -148680.3680 300.4317 -262.8663 -232.2264 558878.0179 7.9325 7.9318 PRESSURE: 763600 -95.1934 156.696 58.0693 156.697 -136.414 75.0672 58.0686 75.0671 -132.915 GPRESSURE: 763600 -96.1098 72.7239 -9.50916 168.366 -101.966 103.107 34.9522 154.884 -65.9137 PRESSAVG: 763600 9.02673 -7.60118 4.63581 -7.60109 49.9872 8.16759 4.63576 8.16759 -37.8488 GPRESSAVG: 763600 9.0637 -7.05823 4.10795 -7.22382 50.4025 10.3985 6.42323 8.00499 -38.5088 TIMING: 763600 CPU: 2218.2, 0.00289609/step Wall: 2218.2, 0.00289609/step, 3.40806 hours remaining, 204.265625 MB of memory in use. ENERGY: 763600 766.1620 2073.9105 1972.1140 119.8271 -205721.9018 17546.5275 0.0000 0.0000 34403.6836 -148839.6771 300.4559 -183243.3607 -148738.3519 300.2113 -121.5076 -87.9964 558485.1982 7.0551 6.9858 PRESSURE: 763800 84.9349 -202.313 -189.116 -202.313 -64.8645 9.77031 -189.117 9.76894 -78.1186 GPRESSURE: 763800 139.97 -149.411 -256.318 -108.879 -81.9104 97.1628 -192.725 0.831178 -0.772477 PRESSAVG: 763800 12.3694 -36.2186 -4.26031 -36.2187 53.6948 24.0363 -4.26029 24.0362 -72.0442 GPRESSAVG: 763800 12.171 -35.3395 -5.31975 -37.2181 52.1063 21.8226 -3.41683 25.1763 -69.8059 TIMING: 763800 CPU: 2218.78, 0.00288453/step Wall: 2218.78, 0.00288453/step, 3.39429 hours remaining, 204.265625 MB of memory in use. ENERGY: 763800 733.9789 2108.4331 1962.1425 101.8419 -206129.3785 17827.0150 0.0000 0.0000 34499.0320 -148896.9350 301.2886 -183395.9670 -148797.8743 299.7190 -19.3494 19.0957 559038.1137 -1.9933 -1.8429 PRESSURE: 764000 51.809 53.1771 -1.55466 53.1773 -113.602 7.25183 -1.55537 7.25218 100.882 GPRESSURE: 764000 87.2317 98.1239 36.9039 46.1102 -58.557 -21.7491 -15.7619 23.5432 108.361 PRESSAVG: 764000 64.1436 -19.1012 -40.7952 -19.1012 -9.86192 2.82292 -40.7953 2.82291 -33.6434 GPRESSAVG: 764000 63.9603 -19.7578 -38.5441 -18.3582 -9.50046 5.03542 -43.9069 -0.213305 -34.6104 TIMING: 764000 CPU: 2219.35, 0.00288615/step Wall: 2219.35, 0.00288615/step, 3.39603 hours remaining, 204.265625 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: 764000 728.6623 2074.0768 1960.8937 116.4821 -205861.3328 17821.7081 0.0000 0.0000 34393.5087 -148766.0011 300.3671 -183159.5099 -148667.9194 299.6784 13.0296 45.6786 558046.0868 6.8795 6.6165 PRESSURE: 764200 -137.771 228.994 166.356 228.994 -162.229 -36.6571 166.355 -36.6575 -17.6903 GPRESSURE: 764200 -99.9821 231.209 177.871 223.622 -109.878 -43.0209 143.003 -59.8104 4.20539 PRESSAVG: 764200 10.7958 4.58237 -25.297 4.58239 -104.438 -8.1917 -25.297 -8.19178 85.96 GPRESSAVG: 764200 12.0056 2.34007 -27.0874 5.58246 -105.146 -9.10341 -24.3463 -7.19468 85.522 TIMING: 764200 CPU: 2219.93, 0.00290069/step Wall: 2219.93, 0.00290069/step, 3.41299 hours remaining, 204.265625 MB of memory in use. ENERGY: 764200 819.1838 2051.1097 1969.8073 119.7498 -205601.4646 17630.9830 0.0000 0.0000 34457.2835 -148553.3474 300.9240 -183010.6310 -148451.1981 299.7589 -105.8969 -68.5515 557871.0910 -2.5608 -2.5395 LDB: ============= START OF LOAD BALANCING ============== 2223.4 LDB: ============== END OF LOAD BALANCING =============== 2223.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2223.4 LDB: ============= START OF LOAD BALANCING ============== 2223.69 LDB: Largest compute 4827 load 0.031772 is 27.0% of average load 0.117506 LDB: Average compute 0.001733 is 1.5% of average load 0.117506 LDB: TIME 2223.7 LOAD: AVG 0.117506 MAX 0.179409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.191 MB LDB: TIME 2223.7 LOAD: AVG 0.117506 MAX 0.179409 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: TIME 2223.7 LOAD: AVG 0.117506 MAX 0.179409 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2223.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2223.7 PRESSURE: 764400 -100.042 199.69 -117.752 199.69 -7.46187 56.2241 -117.753 56.2237 -145.961 GPRESSURE: 764400 -139.305 292.871 -66.634 198.393 31.2441 51.0503 -195.464 43.9617 -51.237 PRESSAVG: 764400 17.5498 3.92646 19.6216 3.92653 -102.822 19.362 19.6217 19.3619 44.6339 GPRESSAVG: 764400 16.7717 6.89696 21.2313 1.3811 -102.353 20.5416 20.4268 20.7936 44.8067 TIMING: 764400 CPU: 2220.53, 0.00296475/step Wall: 2220.53, 0.00296475/step, 3.48819 hours remaining, 204.191406 MB of memory in use. ENERGY: 764400 773.1457 2074.2948 1992.5023 118.7774 -205819.4615 17606.9211 0.0000 0.0000 34669.2591 -148584.5610 302.7753 -183253.8201 -148490.7405 300.9666 -84.4885 -53.0993 558084.1137 -13.5460 -13.5917 PRESSURE: 764600 41.1336 -284.124 13.2432 -284.124 -404.237 -19.4057 13.2435 -19.4045 -122.164 GPRESSURE: 764600 11.8893 -253.519 73.8375 -204.597 -301.868 25.607 51.346 -5.08369 -98.6503 PRESSAVG: 764600 -29.1385 -8.56405 -25.9804 -8.56415 15.7737 19.1514 -25.9804 19.1514 -1.699 GPRESSAVG: 764600 -29.0826 -8.99241 -26.388 -6.43087 16.2687 20.5225 -27.4286 17.5715 -2.18287 TIMING: 764600 CPU: 2221.11, 0.00291461/step Wall: 2221.11, 0.00291461/step, 3.42904 hours remaining, 204.191406 MB of memory in use. ENERGY: 764600 771.1041 2071.2873 1979.4433 124.3016 -205633.3021 17653.2639 0.0000 0.0000 34454.7427 -148579.1592 300.9018 -183033.9019 -148487.3055 300.7119 -161.7556 -129.5432 559707.6757 -5.0213 -4.9989 PRESSURE: 764800 99.1503 19.2101 -162.928 19.2101 -209.209 -186.881 -162.929 -186.881 -329.225 GPRESSURE: 764800 80.7112 31.8472 -184.065 -12.6834 -146.689 -269.508 -147.794 -148.036 -286.299 PRESSAVG: 764800 57.4968 -37.3782 40.5753 -37.3782 -4.1859 -7.70358 40.5753 -7.70356 -29.3603 GPRESSAVG: 764800 56.7307 -38.5117 40.8528 -38.9519 -4.4514 -8.67134 40.1701 -6.87345 -28.6065 TIMING: 764800 CPU: 2221.7, 0.00293478/step Wall: 2221.7, 0.00293478/step, 3.45261 hours remaining, 204.191406 MB of memory in use. ENERGY: 764800 734.0643 2126.2682 1947.3326 104.4415 -205608.4908 17646.6006 0.0000 0.0000 34333.4172 -148716.3664 299.8423 -183049.7835 -148623.0037 300.9925 -146.4279 -117.4256 559183.1973 7.9835 7.8909 PRESSURE: 765000 281.383 163.217 45.0451 163.216 -73.2462 -43.7785 45.0442 -43.7772 55.2455 GPRESSURE: 765000 365.911 36.0404 40.4814 182.392 -44.6975 -118.436 16.2329 -77.1973 42.0939 PRESSAVG: 765000 16.8658 1.00241 -65.9244 1.00235 -10.1123 -17.5557 -65.9245 -17.5557 -29.419 GPRESSAVG: 765000 18.0278 1.1061 -67.8698 3.97906 -10.3959 -19.4433 -63.8907 -18.6451 -30.1824 TIMING: 765000 CPU: 2222.28, 0.00290488/step Wall: 2222.28, 0.00290488/step, 3.41726 hours remaining, 204.191406 MB of memory in use. ENERGY: 765000 732.2712 2056.3341 1968.0787 136.6635 -205862.0428 17961.8108 0.0000 0.0000 34308.8883 -148697.9962 299.6281 -183006.8845 -148598.0648 299.7451 87.7942 121.1023 559006.9413 -7.5552 -7.5168 PRESSURE: 765200 282.669 -68.423 28.583 -68.4242 -4.42956 63.537 28.5822 63.537 -224.071 GPRESSURE: 765200 275.952 -104.103 93.8628 -108.842 13.5035 56.827 -11.2915 133.793 -133.737 PRESSAVG: 765200 40.1156 -14.3807 71.6361 -14.3808 -58.8492 -52.1615 71.636 -52.1616 -14.114 GPRESSAVG: 765200 39.6966 -12.6239 73.3779 -16.883 -58.6329 -51.4049 72.1745 -52.0487 -13.8502 TIMING: 765200 CPU: 2222.86, 0.00289808/step Wall: 2222.86, 0.00289808/step, 3.40911 hours remaining, 204.191406 MB of memory in use. ENERGY: 765200 768.4091 2102.3896 1975.8872 106.1417 -205869.8456 17784.5433 0.0000 0.0000 34306.7190 -148825.7556 299.6091 -183132.4746 -148731.7743 299.8411 18.0561 51.9061 559154.3887 -10.9492 -10.9288 PRESSURE: 765400 -15.6467 -84.5221 -0.241059 -84.5234 -65.4503 10.3866 -0.240134 10.3862 265.303 GPRESSURE: 765400 -20.559 -66.4878 58.2056 4.09873 -18.1012 33.649 -70.2456 36.8877 317.681 PRESSAVG: 765400 -13.4919 -34.1365 19.3924 -34.1363 -20.8626 -4.44715 19.3924 -4.44709 31.9457 GPRESSAVG: 765400 -13.4617 -36.5323 18.9799 -32.9418 -21.504 -3.93292 17.3585 -4.51471 32.3538 TIMING: 765400 CPU: 2223.44, 0.00290756/step Wall: 2223.44, 0.00290756/step, 3.4201 hours remaining, 204.191406 MB of memory in use. ENERGY: 765400 729.2288 2077.1765 1987.4833 105.3589 -205619.5451 17669.9682 0.0000 0.0000 34218.1642 -148832.1652 298.8357 -183050.3294 -148732.5467 299.9916 61.4019 93.0068 558629.0991 -0.8029 -0.8707 PRESSURE: 765600 -105.05 -81.8949 3.9893 -81.8952 -123.995 9.8358 3.98858 9.83713 -283.208 GPRESSURE: 765600 -156.029 -157.469 35.3887 -133.84 -91.1987 -53.1818 5.01451 -2.08188 -175.054 PRESSAVG: 765600 -11.9055 -21.7016 7.02963 -21.7016 -4.22989 -23.561 7.02966 -23.561 56.223 GPRESSAVG: 765600 -12.6112 -19.8849 8.51065 -22.4438 -3.58465 -23.2654 7.76922 -22.2954 56.3082 TIMING: 765600 CPU: 2224.02, 0.00291769/step Wall: 2224.02, 0.00291769/step, 3.43185 hours remaining, 204.191406 MB of memory in use. ENERGY: 765600 718.1937 2102.4605 1966.5160 114.3790 -205576.5031 17434.8075 0.0000 0.0000 34346.1482 -148893.9983 299.9535 -183240.1465 -148793.1001 300.0710 -170.7507 -140.7607 558688.5899 13.3625 13.3708 PRESSURE: 765800 -224.793 31.7456 -25.1621 31.7451 284.799 188.179 -25.1631 188.179 -102.564 GPRESSURE: 765800 -132.913 -18.3194 86.9412 44.4011 259.357 226.329 -122.645 139.768 -69.6774 PRESSAVG: 765800 -78.0507 -0.676317 -44.765 -0.676393 68.4194 -23.6871 -44.7649 -23.6871 -17.8934 GPRESSAVG: 765800 -77.7434 -0.404534 -44.4791 -0.472906 67.6836 -25.3417 -45.1474 -22.5565 -17.5396 TIMING: 765800 CPU: 2224.6, 0.00291465/step Wall: 2224.6, 0.00291465/step, 3.42812 hours remaining, 204.191406 MB of memory in use. ENERGY: 765800 752.7723 2090.3933 2010.8896 109.6845 -205790.7729 17686.6773 0.0000 0.0000 34195.0587 -148945.2971 298.6340 -183140.3558 -148844.1599 299.3474 -14.1860 18.9224 557714.0521 -9.1749 -9.1998 PRESSURE: 766000 -166.815 9.71469 -114.393 9.71476 123.568 -19.1339 -114.395 -19.1333 100.359 GPRESSURE: 766000 -122.318 36.1124 -51.1499 5.90281 134.166 -27.7288 -195.142 -39.4305 147.12 PRESSAVG: 766000 -50.4309 0.266886 -14.8916 0.266893 46.3171 7.1007 -14.8916 7.10066 31.9461 GPRESSAVG: 766000 -50.0079 0.786838 -17.4128 0.0603152 46.9114 6.72631 -13.0272 7.20898 30.9383 TIMING: 766000 CPU: 2225.18, 0.00289629/step Wall: 2225.18, 0.00289629/step, 3.40636 hours remaining, 204.191406 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: 766000 734.4956 2090.7692 1959.1432 117.7816 -205809.6572 17675.4034 0.0000 0.0000 34258.2563 -148973.8080 299.1859 -183232.0643 -148879.9092 299.9589 19.0375 52.9891 557359.2140 9.2774 9.2806 PRESSURE: 766200 -121.676 -111.054 1.55602 -111.055 127.723 125.243 1.55628 125.243 -218.571 GPRESSURE: 766200 -34.6987 -61.8909 28.8811 -78.4184 108.424 204.214 -94.7705 -3.17304 -197.694 PRESSAVG: 766200 -4.24217 -7.22251 -35.1299 -7.2226 -50.7172 -25.8595 -35.13 -25.8595 21.6682 GPRESSAVG: 766200 -4.64628 -8.60131 -33.5504 -6.05637 -50.0498 -23.6372 -37.3267 -27.9568 21.3826 TIMING: 766200 CPU: 2225.76, 0.00290303/step Wall: 2225.76, 0.00290303/step, 3.41412 hours remaining, 204.191406 MB of memory in use. ENERGY: 766200 779.7760 2112.9274 1985.4465 118.1417 -205825.6065 17808.0330 0.0000 0.0000 34089.8909 -148931.3910 297.7155 -183021.2819 -148841.3674 298.9499 -70.8414 -41.3229 557500.1573 -11.0971 -11.1045 PRESSURE: 766400 -319.516 29.9878 114.124 29.989 37.3804 -102.393 114.124 -102.392 -231.368 GPRESSURE: 766400 -336.433 -12.5555 52.7718 30.2923 73.225 -112.953 188.256 -53.753 -152.302 PRESSAVG: 766400 -58.1678 60.2173 21.6946 60.2175 57.198 -27.6503 21.6947 -27.6503 -0.523409 GPRESSAVG: 766400 -58.73 59.6889 21.1103 60.1545 58.2396 -30.2178 22.6892 -25.9804 -0.617305 TIMING: 766400 CPU: 2226.34, 0.00287316/step Wall: 2226.34, 0.00287316/step, 3.37883 hours remaining, 204.191406 MB of memory in use. ENERGY: 766400 741.5987 2100.5287 1998.6912 103.0989 -205765.0727 17450.3647 0.0000 0.0000 34271.7299 -149099.0606 299.3035 -183370.7905 -148996.3232 299.6854 -171.1680 -138.5031 557840.5215 -0.4977 -0.3692 PRESSURE: 766600 -296.693 77.7908 28.9374 77.7896 -78.023 40.3075 28.9358 40.3056 16.2116 GPRESSURE: 766600 -258.87 49.8 51.6654 118.749 -37.9362 38.8123 59.4194 3.73357 29.5292 PRESSAVG: 766600 -54.0926 29.8825 36.4778 29.8824 3.86303 1.49281 36.4779 1.49285 -0.410021 GPRESSAVG: 766600 -53.9621 33.1179 37.0689 25.9045 2.05366 3.05491 35.924 0.900906 0.755029 TIMING: 766600 CPU: 2226.91, 0.00286717/step Wall: 2226.91, 0.00286717/step, 3.37163 hours remaining, 204.191406 MB of memory in use. ENERGY: 766600 755.6360 2133.9618 2017.0997 117.8242 -206318.2268 17688.3161 0.0000 0.0000 34476.4289 -149128.9601 301.0912 -183605.3890 -149022.0755 299.6117 -119.5014 -89.0925 556715.9621 -16.8799 -17.0511 PRESSURE: 766800 29.2822 -98.2833 131.642 -98.2828 2.50779 3.20849 131.641 3.2078 -123.806 GPRESSURE: 766800 -11.3911 -117.815 39.2231 -63.8642 109.495 103.334 165.976 -81.012 -101.152 PRESSAVG: 766800 19.975 -4.39185 11.9299 -4.3919 -14.2687 -7.05094 11.9299 -7.05094 -5.01272 GPRESSAVG: 766800 19.3559 -7.06484 12.161 -0.778096 -13.2182 -6.86654 12.7403 -8.91442 -4.97739 TIMING: 766800 CPU: 2227.49, 0.00288034/step Wall: 2227.49, 0.00288034/step, 3.38695 hours remaining, 204.191406 MB of memory in use. ENERGY: 766800 725.5257 2131.1853 2003.9057 119.1799 -206119.1176 17731.6370 0.0000 0.0000 34350.4455 -149057.2385 299.9910 -183407.6841 -148959.7405 300.0748 -30.6720 -1.0159 558785.3158 0.2312 0.3868 PRESSURE: 767000 194.346 -108.552 28.0417 -108.551 62.6681 -38.2025 28.0422 -38.2018 119.718 GPRESSURE: 767000 207.524 -70.5787 161.878 -113.029 81.0498 -66.8844 -84.3287 -1.33656 176.061 PRESSAVG: 767000 19.5995 -45.048 -39.3642 -45.0481 -69.5987 10.5844 -39.3641 10.5842 74.1969 GPRESSAVG: 767000 20.8542 -43.9512 -39.3443 -47.5454 -68.4891 11.9398 -41.5048 12.5805 72.1491 TIMING: 767000 CPU: 2228.06, 0.0028777/step Wall: 2228.06, 0.0028777/step, 3.38369 hours remaining, 204.191406 MB of memory in use. ENERGY: 767000 750.5041 2034.1197 1995.9401 109.2520 -206286.2497 18088.7759 0.0000 0.0000 34347.4254 -148960.2324 299.9646 -183307.6579 -148862.8225 300.5072 125.5774 154.8785 558477.7351 8.0659 8.1714 PRESSURE: 767200 249.141 -61.3386 -79.306 -61.3395 67.7758 -42.3438 -79.3057 -42.3438 98.8687 GPRESSURE: 767200 246.788 -16.4195 -69.8627 25.9065 121.714 23.8812 -36.334 6.35347 138.427 PRESSAVG: 767200 30.4441 58.4834 20.7603 58.4834 14.5287 2.82582 20.7602 2.82592 -25.0197 GPRESSAVG: 767200 30.7447 58.6747 21.3259 59.8677 14.1441 3.6495 21.5514 0.903454 -25.1731 TIMING: 767200 CPU: 2228.64, 0.00288131/step Wall: 2228.64, 0.00288131/step, 3.38778 hours remaining, 204.191406 MB of memory in use. ENERGY: 767200 752.7605 2093.5751 1964.1563 140.0468 -206131.4018 17815.1049 0.0000 0.0000 34475.5763 -148890.1817 301.0838 -183365.7581 -148794.7182 299.5609 138.5953 168.9765 557068.5779 6.6511 6.5719 PRESSURE: 767400 -290.701 174.966 91.7573 174.965 -23.3397 112.53 91.7576 112.53 -270.692 GPRESSURE: 767400 -224.251 129.386 -12.2623 184.461 -46.4481 121.591 129.792 54.9909 -201.075 PRESSAVG: 767400 -42.9465 -20.1164 14.1438 -20.1165 8.39898 -18.1386 14.1438 -18.1386 -10.4121 GPRESSAVG: 767400 -44.6922 -19.0288 12.7691 -21.0782 7.90067 -19.8199 15.034 -16.4724 -8.35335 TIMING: 767400 CPU: 2229.22, 0.00288094/step Wall: 2229.22, 0.00288094/step, 3.38718 hours remaining, 204.191406 MB of memory in use. ENERGY: 767400 735.7774 2102.4732 1974.5221 126.1878 -205582.4635 17466.0909 0.0000 0.0000 34090.5652 -149086.8468 297.7214 -183177.4120 -148988.6533 299.7279 -194.9111 -157.2580 558045.2567 -14.9866 -15.0483 PRESSURE: 767600 -206.203 -24.3321 -49.447 -24.3313 -125.514 164.516 -49.447 164.516 -53.4012 GPRESSURE: 767600 -127.345 -24.6051 -61.2262 76.0744 -90.9806 119.738 -125.603 193.146 -73.9207 PRESSAVG: 767600 -91.472 32.7555 -3.35268 32.7554 73.8773 -43.0879 -3.35271 -43.088 41.7887 GPRESSAVG: 767600 -90.5124 31.8313 -1.52399 35.6427 73.1764 -45.2321 -5.36781 -43.5289 41.6473 TIMING: 767600 CPU: 2229.8, 0.00289753/step Wall: 2229.8, 0.00289753/step, 3.40653 hours remaining, 204.191406 MB of memory in use. ENERGY: 767600 771.3961 2002.6147 2007.2148 111.8721 -206087.7343 17632.6607 0.0000 0.0000 34499.2182 -149062.7577 301.2903 -183561.9759 -148970.2081 299.4299 -128.3728 -97.4155 557633.5834 8.0647 8.1037 PRESSURE: 767800 29.7544 93.7314 60.2837 93.7318 -166.506 51.2846 60.2833 51.2842 -166.263 GPRESSURE: 767800 100.09 0.193819 52.7134 184.082 -154.936 136.788 23.9949 52.7625 -141.812 PRESSAVG: 767800 13.2591 15.9511 -1.32251 15.9511 -15.5955 42.3083 -1.32269 42.3083 15.088 GPRESSAVG: 767800 12.985 15.8782 -2.87175 14.2948 -14.6462 43.429 0.136733 40.5172 14.4189 TIMING: 767800 CPU: 2230.37, 0.00288627/step Wall: 2230.37, 0.00288627/step, 3.39313 hours remaining, 204.191406 MB of memory in use. ENERGY: 767800 726.3471 2135.3998 2009.0996 112.9874 -205805.7321 17627.6484 0.0000 0.0000 34325.0655 -148869.1844 299.7693 -183194.2499 -148773.1735 300.0517 -101.0050 -65.5525 558577.2757 4.2506 4.2526 PRESSURE: 768000 115.776 109.723 -81.2486 109.724 35.9962 91.5341 -81.2482 91.5356 335.734 GPRESSURE: 768000 135.325 157.08 -76.8307 69.2093 113.066 108.221 -125.057 44.0437 327.26 PRESSAVG: 768000 53.4125 13.3236 -35.0496 13.3235 -17.9483 29.3058 -35.0495 29.3059 -4.84154 GPRESSAVG: 768000 53.4819 14.2584 -35.2378 14.1858 -17.9717 30.1396 -35.3727 30.7646 -4.9965 TIMING: 768000 CPU: 2230.95, 0.00288008/step Wall: 2230.95, 0.00288008/step, 3.38569 hours remaining, 204.191406 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: 768000 715.5272 2128.8467 1970.6850 120.1759 -205730.3480 17924.6996 0.0000 0.0000 34168.1751 -148702.2384 298.3992 -182870.4135 -148605.4412 300.1045 162.5023 191.8835 558365.2448 10.2076 10.1712 PRESSURE: 768200 -233.876 21.2084 -94.9065 21.2086 -149.806 146.319 -94.9058 146.319 -26.0994 GPRESSURE: 768200 -250.904 56.1188 -49.037 -22.1327 -41.7519 184.022 -147.49 66.5629 -17.7164 PRESSAVG: 768200 -26.7762 29.4359 30.616 29.4359 -19.0505 39.1685 30.616 39.1686 34.7951 GPRESSAVG: 768200 -25.8502 29.9635 31.6301 27.436 -18.6582 39.0033 30.8496 37.969 33.908 TIMING: 768200 CPU: 2231.53, 0.00289011/step Wall: 2231.53, 0.00289011/step, 3.39732 hours remaining, 204.191406 MB of memory in use. ENERGY: 768200 742.5144 2005.1721 1983.2959 109.6766 -205967.5272 17564.0865 0.0000 0.0000 34738.2100 -148824.5716 303.3774 -183562.7815 -148732.0702 300.7320 -136.5938 -103.4576 559210.1127 -3.6772 -3.5335 LDB: ============= START OF LOAD BALANCING ============== 2234.99 LDB: ============== END OF LOAD BALANCING =============== 2234.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2234.99 LDB: ============= START OF LOAD BALANCING ============== 2235.28 LDB: Largest compute 4827 load 0.030541 is 26.0% of average load 0.117562 LDB: Average compute 0.001735 is 1.5% of average load 0.117562 LDB: TIME 2235.28 LOAD: AVG 0.117562 MAX 0.176452 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2235.28 LOAD: AVG 0.117562 MAX 0.176452 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: TIME 2235.28 LOAD: AVG 0.117562 MAX 0.176452 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2235.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2235.29 PRESSURE: 768400 183.225 -258.166 61.2366 -258.166 -114.82 190.906 61.2384 190.909 -52.3041 GPRESSURE: 768400 217.565 -141.128 79.6227 -258.962 -112.718 167.116 24.9896 231.165 -5.99426 PRESSAVG: 768400 -18.2865 32.5619 21.9849 32.562 -23.0136 12.7172 21.985 12.7172 53.5203 GPRESSAVG: 768400 -18.0808 30.768 23.2019 34.8879 -23.823 13.2956 20.5567 14.4178 53.6821 TIMING: 768400 CPU: 2232.11, 0.00292488/step Wall: 2232.11, 0.00292488/step, 3.43803 hours remaining, 203.089844 MB of memory in use. ENERGY: 768400 750.8317 2114.6626 2007.4209 114.2187 -206091.0588 17854.6825 0.0000 0.0000 34399.2295 -148850.0129 300.4170 -183249.2424 -148757.7663 300.3373 5.3670 32.9509 558116.5562 4.0734 3.9261 PRESSURE: 768600 -106.206 162.659 -61.727 162.659 -131.482 -27.6432 -61.7263 -27.6434 -293.688 GPRESSURE: 768600 -95.0793 180.338 -77.6019 113.787 -152.035 -88.8263 50.5405 -22.0732 -199.123 PRESSAVG: 768600 3.43896 26.6146 -16.4863 26.6145 -11.573 10.7882 -16.4863 10.7882 -19.5936 GPRESSAVG: 768600 2.49916 27.0083 -18.7742 27.1401 -12.6446 10.351 -16.7887 11.1863 -17.0992 TIMING: 768600 CPU: 2232.69, 0.00287479/step Wall: 2232.69, 0.00287479/step, 3.379 hours remaining, 203.292969 MB of memory in use. ENERGY: 768600 741.8654 2072.1743 2003.6916 110.7561 -205710.6957 17459.9805 0.0000 0.0000 34307.0759 -149015.1520 299.6122 -183322.2279 -148920.1762 299.9326 -177.1253 -148.7459 558677.1181 -9.2426 -9.0816 PRESSURE: 768800 26.8131 81.8231 -18.4367 81.8233 -184.377 5.03323 -18.4361 5.03415 251.038 GPRESSURE: 768800 68.4984 -9.68995 39.6902 17.8856 -144.061 27.3803 -0.232342 80.3102 255.715 PRESSAVG: 768800 -24.2448 -30.7408 -0.532808 -30.7407 5.46892 -45.6464 -0.532752 -45.6464 -3.27462 GPRESSAVG: 768800 -24.9148 -30.7146 0.525752 -33.7978 6.52577 -45.1774 0.325443 -46.8676 -3.82858 TIMING: 768800 CPU: 2233.26, 0.0028779/step Wall: 2233.26, 0.0028779/step, 3.38249 hours remaining, 203.574219 MB of memory in use. ENERGY: 768800 767.3366 2087.2704 1978.1715 101.0728 -206456.7858 18000.2207 0.0000 0.0000 34423.3844 -149099.3294 300.6280 -183522.7138 -148997.3559 299.3514 31.1582 60.0507 557735.9544 -7.3502 -7.4059 PRESSURE: 769000 -30.9134 -156.431 -35.9769 -156.43 187.379 96.5445 -35.9771 96.545 89.9992 GPRESSURE: 769000 78.1218 -94.7521 7.37557 -196.979 195.294 97.1485 -62.2723 44.4158 70.986 PRESSAVG: 769000 -0.646886 -18.5073 -43.3822 -18.5073 -53.6291 -37.1312 -43.3822 -37.1312 44.3718 GPRESSAVG: 769000 -0.0387174 -17.3766 -43.8463 -17.4375 -53.6466 -37.686 -43.3933 -37.4232 44.3045 TIMING: 769000 CPU: 2233.84, 0.0028822/step Wall: 2233.84, 0.0028822/step, 3.38739 hours remaining, 203.574219 MB of memory in use. ENERGY: 769000 792.7914 2117.5525 1971.3388 108.7297 -205942.3005 17763.0774 0.0000 0.0000 34226.1205 -148962.6902 298.9052 -183188.8107 -148866.5509 299.6745 82.1550 114.8007 558475.5956 -3.3014 -3.1270 PRESSURE: 769200 3.65072 14.4928 16.7781 14.493 121.926 -12.9262 16.7794 -12.9259 154.972 GPRESSURE: 769200 28.8512 -3.89239 31.2049 17.1157 152.457 -44.1222 60.2295 -20.9283 204.935 PRESSAVG: 769200 -63.0728 55.6695 -6.24416 55.6695 -35.6905 19.5741 -6.24412 19.5739 70.4329 GPRESSAVG: 769200 -62.8589 53.5716 -6.32899 57.1344 -34.8109 20.5903 -5.92936 20.1059 69.3072 TIMING: 769200 CPU: 2234.41, 0.00287601/step Wall: 2234.41, 0.00287601/step, 3.37995 hours remaining, 203.574219 MB of memory in use. ENERGY: 769200 729.9210 2082.0293 1972.8927 109.6829 -205920.0641 17782.9367 0.0000 0.0000 34399.6023 -148842.9992 300.4203 -183242.6015 -148743.3870 300.0266 93.5160 128.7479 556873.2870 -9.4435 -9.4542 PRESSURE: 769400 -39.8339 -75.1375 -61.7396 -75.1368 -284.771 -43.5991 -61.7393 -43.5987 30.0505 GPRESSURE: 769400 32.4945 -29.7277 -42.2351 14.1905 -193.968 -151.229 -61.4966 -27.3906 -20.5641 PRESSAVG: 769400 28.1827 19.4925 37.9885 19.4925 -32.8436 -2.74551 37.9885 -2.74559 -16.1555 GPRESSAVG: 769400 27.7779 19.7145 35.7735 19.0516 -32.6123 -5.73808 37.2396 -0.292529 -15.5828 TIMING: 769400 CPU: 2234.99, 0.00288219/step Wall: 2234.99, 0.00288219/step, 3.38705 hours remaining, 203.574219 MB of memory in use. ENERGY: 769400 779.1316 2088.5599 1992.4633 100.1054 -205780.2077 17620.7510 0.0000 0.0000 34354.2279 -148844.9686 300.0240 -183199.1965 -148739.3360 299.9849 -98.1849 -60.6793 557082.2770 -6.9388 -6.8057 PRESSURE: 769600 -47.5615 92.6764 47.0287 92.6778 -337.702 -34.1701 47.0289 -34.1687 60.5134 GPRESSURE: 769600 -42.0812 122.043 44.711 77.2071 -296.071 -42.3399 -49.2087 9.89798 102.355 PRESSAVG: 769600 31.7644 2.06541 19.5141 2.06537 -72.8766 51.1695 19.5141 51.1696 50.9847 GPRESSAVG: 769600 32.1882 2.14894 21.7201 2.6736 -73.4832 52.5808 21.5587 50.3045 51.3635 TIMING: 769600 CPU: 2235.57, 0.00289142/step Wall: 2235.57, 0.00289142/step, 3.39774 hours remaining, 203.574219 MB of memory in use. ENERGY: 769600 776.4901 2136.0060 1972.0132 105.4389 -205913.1401 17639.0871 0.0000 0.0000 34395.1682 -148888.9366 300.3816 -183284.1048 -148789.9285 300.1555 -108.2499 -78.5993 558510.5287 3.2908 3.3561 PRESSURE: 769800 -192.071 13.4174 -84.6314 13.4173 -168.062 69.8618 -84.631 69.8617 -93.2261 GPRESSURE: 769800 -196.184 -18.5807 -84.7227 72.384 -40.6969 39.1294 -146.864 85.8197 -116.664 PRESSAVG: 769800 30.4954 -20.7783 9.50105 -20.7783 -8.22194 -55.9383 9.50087 -55.9383 -64.0894 GPRESSAVG: 769800 30.8438 -21.9613 9.40952 -22.969 -8.14825 -55.8569 8.60108 -56.3535 -64.7783 TIMING: 769800 CPU: 2236.15, 0.00288901/step Wall: 2236.15, 0.00288901/step, 3.39475 hours remaining, 203.574219 MB of memory in use. ENERGY: 769800 769.4439 2126.6954 2043.7314 112.1005 -205994.4461 17696.9502 0.0000 0.0000 34231.1511 -149014.3736 298.9492 -183245.5246 -148912.7952 300.0825 -151.1198 -117.8482 557632.3840 -13.9386 -14.0276 PRESSURE: 770000 -172.991 -83.2048 48.7659 -83.2036 -69.2445 -116.907 48.7665 -116.906 -225.836 GPRESSURE: 770000 -144.392 -41.9618 33.7465 -44.2929 -50.7668 -121.871 12.4928 -70.7615 -175.602 PRESSAVG: 770000 27.8684 9.55911 -0.321149 9.55916 23.3195 -5.68846 -0.321204 -5.68848 -59.0505 GPRESSAVG: 770000 28.4685 11.0788 -0.857506 10.7981 24.3379 -2.75599 -0.202995 -5.14812 -59.5432 TIMING: 770000 CPU: 2236.72, 0.00288807/step Wall: 2236.72, 0.00288807/step, 3.39349 hours remaining, 203.574219 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: 770000 710.5492 2140.0492 2015.8649 114.7025 -205714.7080 17538.0144 0.0000 0.0000 34278.2490 -148917.2788 299.3605 -183195.5277 -148820.9052 299.5424 -156.0237 -123.5867 559282.1934 -2.6209 -2.2456 PRESSURE: 770200 -333.361 42.1269 -97.201 42.1266 15.7108 80.3107 -97.2016 80.3104 -160.492 GPRESSURE: 770200 -288.806 2.82579 -43.4216 77.6331 66.5894 42.3347 -173.018 67.0015 -154.934 PRESSAVG: 770200 48.1453 38.4469 -10.3793 38.4468 -10.1475 31.4305 -10.3793 31.4306 -26.2197 GPRESSAVG: 770200 47.252 38.2436 -10.5892 37.931 -10.3798 28.4279 -10.0676 32.6963 -25.3544 TIMING: 770200 CPU: 2237.3, 0.00288778/step Wall: 2237.3, 0.00288778/step, 3.39298 hours remaining, 203.574219 MB of memory in use. ENERGY: 770200 759.9114 2074.8235 1995.0311 119.5577 -205978.3944 17644.6007 0.0000 0.0000 34361.9843 -149022.4857 300.0918 -183384.4700 -148918.2941 299.3643 -159.3805 -125.7168 558249.4061 3.9261 3.8393 PRESSURE: 770400 -135.921 16.4956 -7.48182 16.495 -223.906 160.807 -7.48248 160.806 -225.228 GPRESSURE: 770400 -93.7704 48.0239 -13.6036 -33.5147 -189.265 160.008 -13.0766 168.926 -200.83 PRESSAVG: 770400 54.4563 -36.6096 -39.5801 -36.6096 -18.5456 3.86156 -39.5801 3.86152 -6.4689 GPRESSAVG: 770400 55.8795 -36.9824 -39.1667 -35.0833 -19.6697 5.89103 -40.4604 2.34159 -6.76188 TIMING: 770400 CPU: 2237.88, 0.00286881/step Wall: 2237.88, 0.00286881/step, 3.37053 hours remaining, 203.574219 MB of memory in use. ENERGY: 770400 729.6284 2086.0074 1973.1029 108.5480 -206045.5710 17690.5516 0.0000 0.0000 34433.1511 -149024.5817 300.7133 -183457.7328 -148927.1916 299.7157 -195.0183 -161.2885 559127.5364 9.8139 9.8160 PRESSURE: 770600 -90.3179 49.232 23.586 49.2314 -29.4616 -97.0134 23.586 -97.0153 -64.6361 GPRESSURE: 770600 -61.981 88.5621 68.8885 58.9971 97.2998 -114.631 57.5124 -50.4885 -106.748 PRESSAVG: 770600 55.8082 -24.6999 -31.4907 -24.6999 39.0747 12.4792 -31.4907 12.4792 13.1204 GPRESSAVG: 770600 53.6602 -24.348 -29.4183 -25.128 40.9975 11.6184 -31.4989 12.5378 13.6473 TIMING: 770600 CPU: 2238.45, 0.00288623/step Wall: 2238.45, 0.00288623/step, 3.39084 hours remaining, 203.574219 MB of memory in use. ENERGY: 770600 729.2449 2072.2684 1976.3311 118.6741 -206313.2695 17805.6532 0.0000 0.0000 34470.9673 -149140.1304 301.0435 -183611.0977 -149032.2647 299.4953 -61.4719 -23.8098 557889.6297 36.0011 36.1017 PRESSURE: 770800 -165.238 -146.786 -52.1514 -146.787 195.252 77.2214 -52.152 77.223 33.6634 GPRESSURE: 770800 -109.667 -94.6903 -6.12249 -107.175 209.625 59.1774 -91.3629 41.3223 46.5129 PRESSAVG: 770800 -32.5867 24.4984 -13.185 24.4983 63.0655 -12.1776 -13.1849 -12.1776 -92.9641 GPRESSAVG: 770800 -31.7 24.6429 -13.4852 22.5134 61.6045 -10.8695 -12.7911 -12.8088 -92.9507 TIMING: 770800 CPU: 2239.03, 0.00286674/step Wall: 2239.03, 0.00286674/step, 3.36778 hours remaining, 203.574219 MB of memory in use. ENERGY: 770800 752.3064 2100.8905 1986.2434 121.7183 -206250.0561 17914.1213 0.0000 0.0000 34355.1596 -149019.6166 300.0322 -183374.7762 -148929.4776 300.0867 21.2255 48.8238 556548.3923 -20.8285 -21.0154 PRESSURE: 771000 46.5081 79.327 -122.217 79.3268 -146.94 91.1421 -122.216 91.143 61.0245 GPRESSURE: 771000 66.2399 33.0262 -95.7887 73.517 -108.353 83.2225 -93.7749 100.599 99.029 PRESSAVG: 771000 -22.3663 -2.43975 -87.5371 -2.43977 -36.2783 -2.79912 -87.5372 -2.79925 47.9814 GPRESSAVG: 771000 -22.0675 -3.48118 -88.372 -1.35284 -35.158 -3.33392 -87.5027 -1.90952 46.5374 TIMING: 771000 CPU: 2239.61, 0.00289411/step Wall: 2239.61, 0.00289411/step, 3.39978 hours remaining, 203.574219 MB of memory in use. ENERGY: 771000 728.8437 2087.6031 1980.0998 111.1068 -206014.4674 17563.6418 0.0000 0.0000 34546.2389 -148996.9333 301.7009 -183543.1722 -148899.7703 300.2237 -13.1359 18.9721 555689.3891 -3.5544 -3.5627 PRESSURE: 771200 -192.14 -42.3659 10.8771 -42.3657 -266.655 -120.66 10.8747 -120.659 -18.0775 GPRESSURE: 771200 -207.649 -3.99481 60.86 -22.2956 -201.95 -157.928 23.7132 35.2143 42.0592 PRESSAVG: 771200 15.7188 -1.21702 -7.29054 -1.21708 -23.3937 17.2204 -7.29057 17.2203 5.85665 GPRESSAVG: 771200 15.145 -1.48192 -8.63679 1.04959 -24.2169 17.8034 -5.24514 14.5711 6.98527 TIMING: 771200 CPU: 2240.18, 0.00288397/step Wall: 2240.18, 0.00288397/step, 3.38771 hours remaining, 203.574219 MB of memory in use. ENERGY: 771200 724.0627 2080.6331 1996.6527 110.2299 -205692.1696 17534.2442 0.0000 0.0000 34220.0747 -149026.2723 298.8524 -183246.3470 -148930.0596 299.4834 -158.9576 -122.5133 557599.8254 -0.6061 -0.6956 PRESSURE: 771400 -206.832 17.757 74.4412 17.7571 -118.955 -103.626 74.442 -103.625 -235.923 GPRESSURE: 771400 -196.618 -7.40268 42.3347 39.5031 -124.201 -82.1134 68.3565 -136.814 -147.029 PRESSAVG: 771400 29.5047 60.8552 15.2832 60.8551 -43.2172 47.5288 15.2832 47.5289 10.5216 GPRESSAVG: 771400 28.7362 61.302 18.5969 59.3155 -42.3833 48.1021 11.6735 47.949 10.0904 TIMING: 771400 CPU: 2240.76, 0.00288504/step Wall: 2240.76, 0.00288504/step, 3.38881 hours remaining, 203.574219 MB of memory in use. ENERGY: 771400 742.1905 2055.9440 1990.7591 102.9209 -205869.8610 17551.2762 0.0000 0.0000 34299.7214 -149127.0490 299.5480 -183426.7703 -149031.5475 300.2982 -187.2366 -155.9493 557849.0475 -1.0636 -1.1856 PRESSURE: 771600 -50.1785 18.0291 -61.9133 18.0288 -70.6819 97.9684 -61.9132 97.9697 35.5015 GPRESSURE: 771600 22.9598 5.56278 -87.9758 -32.5231 -97.041 87.2505 -46.5465 115.024 93.6156 PRESSAVG: 771600 -30.044 53.0626 -7.48951 53.0626 32.3595 21.5793 -7.48945 21.5792 21.7762 GPRESSAVG: 771600 -28.3029 51.7302 -9.60082 53.0707 30.3943 19.6153 -6.11458 21.9896 21.4761 TIMING: 771600 CPU: 2241.34, 0.00291215/step Wall: 2241.34, 0.00291215/step, 3.42049 hours remaining, 203.574219 MB of memory in use. ENERGY: 771600 756.0821 2091.7611 1938.6062 109.0876 -206095.1272 17810.0618 0.0000 0.0000 34289.6642 -149099.8643 299.4602 -183389.5285 -148997.4487 299.7005 -28.4530 6.5115 556618.8193 8.0305 7.8558 PRESSURE: 771800 -191.395 39.7019 64.3401 39.7023 -174.685 -67.9422 64.3404 -67.9434 -401.553 GPRESSURE: 771800 -154.46 18.7681 61.1488 83.42 -116.857 -26.3378 57.7941 -67.8323 -395.141 PRESSAVG: 771800 0.944245 -52.0841 25.3645 -52.0841 16.1247 9.7954 25.3647 9.79542 6.78749 GPRESSAVG: 771800 -0.445278 -50.7056 26.2401 -51.9476 17.3121 10.7659 24.1853 12.3359 7.14147 TIMING: 771800 CPU: 2241.92, 0.00290394/step Wall: 2241.92, 0.00290394/step, 3.41068 hours remaining, 203.574219 MB of memory in use. ENERGY: 771800 740.1787 2067.1703 1981.8244 123.3899 -205895.0813 17459.1669 0.0000 0.0000 34328.0261 -149195.3251 299.7952 -183523.3512 -149103.6554 299.3086 -255.8776 -222.1526 557417.3516 7.9521 8.0028 PRESSURE: 772000 -128.418 359.092 -81.8098 359.092 -137.896 42.6887 -81.8109 42.6883 -132.892 GPRESSURE: 772000 -106.478 369.26 -44.356 355.496 -110.314 79.7287 -78.097 43.0747 -89.1579 PRESSAVG: 772000 -5.65544 1.63629 30.3981 1.63635 -2.95131 12.5838 30.398 12.5837 10.4811 GPRESSAVG: 772000 -5.69 1.70592 29.4259 2.27712 -2.97895 13.3333 31.7683 10.4912 10.0186 TIMING: 772000 CPU: 2242.5, 0.00289195/step Wall: 2242.5, 0.00289195/step, 3.39643 hours remaining, 203.574219 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: 772000 783.4418 2095.4773 1982.3029 116.0181 -206011.6025 17576.5121 0.0000 0.0000 34229.3349 -149228.5154 298.9333 -183457.8503 -149127.3630 299.2222 -133.0685 -101.9834 557378.4755 0.6248 0.4499 PRESSURE: 772200 -123.826 -195.518 -52.2883 -195.518 -189.662 82.1013 -52.2889 82.1012 151.216 GPRESSURE: 772200 -71.3148 -138.263 -24.4806 -156.762 -167.012 67.0183 -64.1062 29.4041 181.282 PRESSAVG: 772200 10.0359 39.1241 -8.79151 39.124 -31.0204 42.9988 -8.79149 42.9987 22.5783 GPRESSAVG: 772200 11.2657 39.642 -9.4543 36.7473 -30.8884 41.2499 -10.9517 43.0673 20.9756 TIMING: 772200 CPU: 2243.08, 0.00289926/step Wall: 2243.08, 0.00289926/step, 3.40486 hours remaining, 203.574219 MB of memory in use. ENERGY: 772200 704.3339 2114.3394 1986.6141 119.9534 -206239.8159 17719.6163 0.0000 0.0000 34271.4314 -149323.5273 299.3009 -183594.9587 -149229.5147 299.5953 -54.0909 -19.0150 557696.3955 0.5313 0.4509 LDB: ============= START OF LOAD BALANCING ============== 2246.54 LDB: ============== END OF LOAD BALANCING =============== 2246.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2246.55 LDB: ============= START OF LOAD BALANCING ============== 2246.84 LDB: Largest compute 4827 load 0.028109 is 23.9% of average load 0.117605 LDB: Average compute 0.001732 is 1.5% of average load 0.117605 LDB: TIME 2246.84 LOAD: AVG 0.117605 MAX 0.177753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.738 MB LDB: TIME 2246.84 LOAD: AVG 0.117605 MAX 0.177753 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.738 MB LDB: TIME 2246.84 LOAD: AVG 0.117605 MAX 0.177753 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.738 MB LDB: ============== END OF LOAD BALANCING =============== 2246.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2246.84 PRESSURE: 772400 -130.318 -38.6841 -2.92523 -38.6841 184.283 -8.22409 -2.9245 -8.22448 254.882 GPRESSURE: 772400 -94.4573 -71.1315 45.7917 -70.054 192.992 -37.5966 -32.6025 25.096 300.773 PRESSAVG: 772400 -5.36081 -16.9263 -30.472 -16.9262 -7.11761 19.4639 -30.4719 19.4638 4.91572 GPRESSAVG: 772400 -4.73039 -17.2344 -30.7287 -16.1838 -8.94844 19.6237 -28.7104 21.4333 5.88057 TIMING: 772400 CPU: 2243.67, 0.00294057/step Wall: 2243.67, 0.00294057/step, 3.45321 hours remaining, 204.820312 MB of memory in use. ENERGY: 772400 779.2142 2062.7759 1981.3462 112.1108 -206255.8324 17985.1838 0.0000 0.0000 34062.8617 -149272.3399 297.4794 -183335.2016 -149166.7555 298.9682 102.9488 133.1024 558820.2702 -2.5209 -2.5994 PRESSURE: 772600 100.454 29.2318 -28.9205 29.2318 -227.703 127.431 -28.9195 127.43 -172.474 GPRESSURE: 772600 146.819 31.1939 -39.9421 41.0808 -200.495 143.403 82.9007 69.8396 -139.368 PRESSAVG: 772600 -23.1737 0.326202 11.2387 0.326314 43.4863 -17.8843 11.2387 -17.8842 -16.7944 GPRESSAVG: 772600 -24.3858 -0.00744183 13.0158 1.15935 44.4157 -18.4021 11.6565 -18.9767 -16.5615 TIMING: 772600 CPU: 2244.25, 0.00289764/step Wall: 2244.25, 0.00289764/step, 3.40264 hours remaining, 205.089844 MB of memory in use. ENERGY: 772600 751.2242 2071.3362 1946.6098 109.0180 -206478.7063 17843.5113 0.0000 0.0000 34218.5944 -149538.4126 298.8395 -183757.0069 -149435.3764 298.7203 -99.9077 -64.3480 557924.1730 1.1727 1.1561 PRESSURE: 772800 -54.7582 81.0416 -112.397 81.0427 -176.606 -131.234 -112.397 -131.237 79.7874 GPRESSURE: 772800 -38.0915 47.2155 -155.039 132.434 -101.079 -78.7746 -107.697 -106.028 90.8655 PRESSAVG: 772800 20.4465 -4.3593 -7.12019 -4.35924 -20.3662 1.96077 -7.12021 1.9607 10.1848 GPRESSAVG: 772800 20.6105 -4.44889 -9.62988 -3.39458 -20.7956 2.20675 -8.33953 3.90153 10.8932 TIMING: 772800 CPU: 2244.82, 0.00285369/step Wall: 2244.82, 0.00285369/step, 3.35086 hours remaining, 205.089844 MB of memory in use. ENERGY: 772800 741.3531 2058.3535 1969.1304 110.9298 -206458.7097 17877.5747 0.0000 0.0000 34285.0238 -149416.3443 299.4196 -183701.3681 -149318.6317 298.6493 -50.5255 -16.1018 556863.6447 3.4217 3.5694 PRESSURE: 773000 -280.66 -25.9029 32.7959 -25.9019 -78.5166 -73.866 32.7953 -73.8668 9.97846 GPRESSURE: 773000 -228.957 55.3157 66.2315 -50.2244 -18.0555 -117.903 25.5696 -73.8811 4.51665 PRESSAVG: 773000 -71.8301 -33.8938 -11.9992 -33.8938 51.4304 -17.0232 -11.9992 -17.0233 27.2354 GPRESSAVG: 773000 -72.0085 -33.4409 -10.1718 -34.6745 52.8796 -17.5899 -12.1957 -19.3384 26.0835 TIMING: 773000 CPU: 2245.39, 0.00287202/step Wall: 2245.39, 0.00287202/step, 3.37223 hours remaining, 205.292969 MB of memory in use. ENERGY: 773000 737.4422 2024.2523 1991.0863 111.1824 -206103.6545 17651.4519 0.0000 0.0000 34429.8897 -149158.3498 300.6848 -183588.2394 -149052.0902 299.3940 -116.3993 -80.8318 556816.7101 2.2786 2.3182 PRESSURE: 773200 73.7076 -139.736 83.7734 -139.735 251.516 -56.668 83.7723 -56.6672 80.4581 GPRESSURE: 773200 84.7227 -137.491 72.4748 -137.006 342.692 -36.8864 155.169 -78.7265 80.2255 PRESSAVG: 773200 -15.3222 -68.4158 -6.06237 -68.4157 64.3191 -25.4336 -6.06222 -25.4336 -46.229 GPRESSAVG: 773200 -15.3637 -68.8946 -5.96183 -68.955 64.522 -21.7132 -5.3102 -27.1366 -46.568 TIMING: 773200 CPU: 2245.97, 0.00289394/step Wall: 2245.97, 0.00289394/step, 3.39781 hours remaining, 205.292969 MB of memory in use. ENERGY: 773200 730.9587 2051.9007 1990.7447 116.7262 -206413.4956 17969.3115 0.0000 0.0000 34448.2812 -149105.5727 300.8454 -183553.8539 -149006.5033 299.8771 135.2274 169.2134 556805.8697 0.9226 0.8634 PRESSURE: 773400 -176.536 -129.536 51.2851 -129.537 171.284 -84.4402 51.2849 -84.4397 115.178 GPRESSURE: 773400 -127.764 -193.932 43.2791 -38.5817 202.634 -180.038 21.2322 45.4484 145.711 PRESSAVG: 773400 -24.8818 -67.64 -4.48379 -67.64 -10.8989 6.0697 -4.48372 6.06959 80.2859 GPRESSAVG: 773400 -24.4695 -66.0297 -6.03303 -67.724 -12.175 4.45735 -4.96693 8.73376 81.2132 TIMING: 773400 CPU: 2246.55, 0.00288571/step Wall: 2246.55, 0.00288571/step, 3.38799 hours remaining, 205.292969 MB of memory in use. ENERGY: 773400 733.1100 2055.5007 1949.5769 116.4515 -206260.3561 17865.3286 0.0000 0.0000 34420.5153 -149119.8732 300.6029 -183540.3885 -149021.8892 299.8366 36.6421 73.5273 555880.9941 14.8351 14.8563 PRESSURE: 773600 152.674 60.4269 163.483 60.427 408.26 -86.67 163.484 -86.6702 42.0118 GPRESSURE: 773600 181.246 56.1616 125.884 87.685 436.586 -91.117 181.558 -126.768 79.8201 PRESSAVG: 773600 -63.4094 14.1924 60.0093 14.1924 -5.59621 -3.6262 60.0094 -3.62613 35.5152 GPRESSAVG: 773600 -62.575 13.7649 61.5916 13.3725 -5.79923 -4.73999 61.1807 -4.4051 35.0939 TIMING: 773600 CPU: 2247.13, 0.00289128/step Wall: 2247.13, 0.00289128/step, 3.39436 hours remaining, 205.292969 MB of memory in use. ENERGY: 773600 749.6649 2160.2607 1999.9427 124.4821 -206133.8759 17886.7782 0.0000 0.0000 34141.5651 -149071.1822 298.1668 -183212.7473 -148974.4158 299.6856 200.9818 232.5505 556643.4495 -11.1635 -11.0935 PRESSURE: 773800 -61.4519 60.4636 -111.149 60.4629 26.5318 81.6558 -111.148 81.6567 -99.2644 GPRESSURE: 773800 -23.4559 57.7341 -136.909 -5.66288 82.2632 50.9355 -30.6493 125.46 -97.5159 PRESSAVG: 773800 -1.84848 29.8243 -46.2323 29.8244 15.2196 77.9437 -46.2324 77.9437 -10.0018 GPRESSAVG: 773800 -2.20299 28.8329 -47.573 29.7189 15.1872 76.819 -46.8047 79.2648 -9.81453 TIMING: 773800 CPU: 2247.71, 0.00291612/step Wall: 2247.71, 0.00291612/step, 3.42337 hours remaining, 205.292969 MB of memory in use. ENERGY: 773800 744.9744 2097.6304 1959.4684 96.4628 -205823.3178 17525.9288 0.0000 0.0000 34235.8232 -149163.0299 298.9900 -183398.8530 -149061.8581 299.5186 -44.7282 -12.9029 556755.6326 1.1231 1.0566 PRESSURE: 774000 -248.086 -85.7882 -20.1134 -85.7878 -183.726 84.3389 -20.1121 84.3392 -24.1427 GPRESSURE: 774000 -256.864 -164.692 36.7798 -9.73632 -130.745 40.9289 -55.0131 172.523 42.0903 PRESSAVG: 774000 -39.5893 -8.02547 -47.7224 -8.0254 -28.3493 39.9758 -47.7224 39.9758 56.6271 GPRESSAVG: 774000 -40.6182 -6.78112 -46.8089 -8.34836 -27.7989 42.8301 -47.2491 37.7123 56.9964 TIMING: 774000 CPU: 2248.29, 0.00292076/step Wall: 2248.29, 0.00292076/step, 3.42865 hours remaining, 205.292969 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: 774000 760.8912 2051.4319 1989.7416 112.0114 -205542.9019 17434.8996 0.0000 0.0000 34048.7307 -149145.1955 297.3560 -183193.9262 -149043.3512 299.7706 -151.9850 -115.1728 557998.1241 -3.7705 -3.8069 PRESSURE: 774200 60.2878 -25.4692 -155.572 -25.4703 154.808 147.7 -155.572 147.702 -42.8314 GPRESSURE: 774200 87.328 97.707 -83.8618 -49.3157 145.418 68.1162 -163.384 155.699 27.4758 PRESSAVG: 774200 -25.0667 44.6641 1.27653 44.6641 -33.9576 31.9202 1.27656 31.9204 42.377 GPRESSAVG: 774200 -24.0326 44.916 3.61512 45.3391 -33.7448 30.5785 -0.576362 34.8355 41.985 TIMING: 774200 CPU: 2248.88, 0.00292088/step Wall: 2248.88, 0.00292088/step, 3.42862 hours remaining, 205.292969 MB of memory in use. ENERGY: 774200 732.4604 2151.0916 1984.9068 120.1937 -206253.9815 17848.0188 0.0000 0.0000 34126.9407 -149290.3694 298.0391 -183417.3101 -149193.0793 298.9915 57.4216 86.7405 558421.6244 -5.5491 -5.2641 PRESSURE: 774400 -1.40271 30.6238 -166.94 30.6242 -46.9665 10.1237 -166.939 10.1229 -112.431 GPRESSURE: 774400 -0.848966 119.492 -207.4 -29.0668 -57.854 -15.2184 -168.159 90.3016 -17.9831 PRESSAVG: 774400 15.7309 -11.033 -24.969 -11.033 32.4298 30.3761 -24.9689 30.3762 11.0954 GPRESSAVG: 774400 15.8268 -11.1743 -27.9829 -12.1325 32.2984 27.8848 -23.3037 30.2434 10.5471 TIMING: 774400 CPU: 2249.46, 0.00290758/step Wall: 2249.46, 0.00290758/step, 3.41286 hours remaining, 205.292969 MB of memory in use. ENERGY: 774400 779.3126 2103.8154 1954.2872 114.0216 -206271.3333 17866.9863 0.0000 0.0000 34168.6636 -149284.2467 298.4034 -183452.9104 -149182.9153 299.5544 -53.6001 -25.5620 558273.7833 19.7520 19.5575 PRESSURE: 774600 -196.323 84.3909 83.7383 84.391 -113.907 -162.882 83.737 -162.881 116.016 GPRESSURE: 774600 -163.687 44.8825 -6.21025 139.12 -118.96 -115.689 52.289 -158.261 193.525 PRESSAVG: 774600 -6.00554 -26.6017 -20.6858 -26.6017 -12.8184 25.8628 -20.6859 25.8629 63.4035 GPRESSAVG: 774600 -7.03051 -29.5849 -20.3872 -23.1809 -11.2827 28.5412 -20.563 22.7075 63.4074 TIMING: 774600 CPU: 2250.04, 0.00288789/step Wall: 2250.04, 0.00288789/step, 3.38958 hours remaining, 205.292969 MB of memory in use. ENERGY: 774600 751.4631 2100.7161 1958.7005 101.9923 -206354.2649 17737.2146 0.0000 0.0000 34297.5750 -149406.6033 299.5293 -183704.1783 -149303.6851 298.5243 -64.7383 -29.7077 556709.6605 14.8598 15.0314 PRESSURE: 774800 -35.543 21.6664 -13.6436 21.6661 -18.4843 62.432 -13.645 62.4332 206.393 GPRESSURE: 774800 -62.8237 134.359 -95.4201 -58.7054 17.0619 69.1873 -36.0192 50.2274 285.193 PRESSAVG: 774800 -35.7465 33.2202 16.5549 33.2201 -11.5368 5.99159 16.5549 5.99152 57.4317 GPRESSAVG: 774800 -35.3111 34.9113 15.8724 31.067 -12.1694 6.26266 17.6363 7.01632 58.1108 TIMING: 774800 CPU: 2250.62, 0.00289556/step Wall: 2250.62, 0.00289556/step, 3.39843 hours remaining, 205.351562 MB of memory in use. ENERGY: 774800 741.3346 2116.4515 1959.3442 110.0910 -206246.1190 17833.3295 0.0000 0.0000 34209.8795 -149275.6886 298.7634 -183485.5681 -149177.7531 298.9495 50.7887 79.8105 556098.2172 3.3828 3.5434 PRESSURE: 775000 5.73424 32.644 -10.0642 32.6442 131.107 -224.668 -10.0641 -224.668 -5.53382 GPRESSURE: 775000 54.8449 58.4334 3.79211 71.611 150.333 -248.719 2.59327 -227.736 21.7704 PRESSAVG: 775000 -33.8131 -15.5046 20.3887 -15.5046 4.75061 -17.5129 20.3888 -17.5128 19.0207 GPRESSAVG: 775000 -33.798 -16.3508 22.794 -14.4832 3.77405 -19.1409 18.8902 -17.0487 19.8592 TIMING: 775000 CPU: 2251.19, 0.00288565/step Wall: 2251.19, 0.00288565/step, 3.38663 hours remaining, 205.351562 MB of memory in use. ENERGY: 775000 733.5724 2098.0194 1986.2217 131.4559 -206145.0549 17755.4809 0.0000 0.0000 34277.2033 -149163.1013 299.3513 -183440.3046 -149070.7833 298.7458 43.7691 75.6496 557063.9303 -3.3473 -3.3882 PRESSURE: 775200 87.6003 97.7966 -58.9841 97.7972 45.4991 -88.0946 -58.9835 -88.0948 -13.4257 GPRESSURE: 775200 139.569 50.5931 -52.4542 57.1569 96.4745 -81.7082 -47.5363 3.43409 -30.5784 PRESSAVG: 775200 -1.0669 -7.43831 64.139 -7.43836 39.1998 -71.5544 64.1391 -71.5544 -13.1812 GPRESSAVG: 775200 -1.13646 -5.32016 63.9401 -8.53743 38.7983 -69.5513 64.9695 -72.6435 -13.4831 TIMING: 775200 CPU: 2251.78, 0.00291042/step Wall: 2251.78, 0.00291042/step, 3.41554 hours remaining, 205.351562 MB of memory in use. ENERGY: 775200 695.0103 2142.0923 1975.0416 117.0515 -206244.8067 17783.2359 0.0000 0.0000 34261.2112 -149271.1639 299.2117 -183532.3751 -149172.8385 299.3146 39.8912 68.4884 557510.8096 8.3172 8.0596 PRESSURE: 775400 -87.5446 -6.76137 161.656 -6.76037 -175.307 -84.5705 161.655 -84.5706 -318.827 GPRESSURE: 775400 -42.5297 115.937 182.596 -63.0144 -107.779 -80.0296 83.3827 -73.2431 -334.621 PRESSAVG: 775400 40.4011 -45.8269 21.1904 -45.827 -28.3521 -58.831 21.1903 -58.8309 -42.3818 GPRESSAVG: 775400 40.6437 -48.0079 20.7663 -45.3947 -27.5508 -57.8189 20.4162 -59.4485 -44.1567 TIMING: 775400 CPU: 2252.36, 0.00290276/step Wall: 2252.36, 0.00290276/step, 3.40638 hours remaining, 205.351562 MB of memory in use. ENERGY: 775400 769.3056 2076.8304 1969.3684 126.9461 -205890.4644 17403.3013 0.0000 0.0000 34140.6863 -149404.0262 298.1591 -183544.7126 -149302.3553 298.9809 -193.8929 -161.6432 557387.4084 -10.1109 -10.3546 PRESSURE: 775600 -94.5853 33.6653 -95.0943 33.6663 -144.625 234.328 -95.095 234.327 72.9636 GPRESSURE: 775600 -71.9514 31.3345 -100.878 118.745 -127.897 261.911 -40.5294 135.193 125.328 PRESSAVG: 775600 38.1528 7.96418 -35.8432 7.96413 -51.8696 22.0113 -35.8433 22.0113 -2.63884 GPRESSAVG: 775600 36.4401 8.7833 -37.6919 8.90529 -51.1253 19.6925 -35.2355 22.3591 -1.53315 TIMING: 775600 CPU: 2252.94, 0.00289207/step Wall: 2252.94, 0.00289207/step, 3.39368 hours remaining, 205.351562 MB of memory in use. ENERGY: 775600 726.8485 2132.7855 1986.0984 111.5157 -206525.0972 17724.8769 0.0000 0.0000 34507.6033 -149335.3689 301.3635 -183842.9722 -149242.5798 298.6671 -55.4155 -24.8403 556998.6493 -5.4519 -5.4061 PRESSURE: 775800 -164.597 -11.9537 -207.282 -11.9545 189.76 84.4064 -207.282 84.4069 315.65 GPRESSURE: 775800 -132.37 -15.1476 -245.311 19.0816 178.463 83.2091 -233.251 69.4274 392.343 PRESSAVG: 775800 -23.6408 18.6338 -23.6901 18.6337 30.4606 26.7235 -23.6899 26.7235 1.94563 GPRESSAVG: 775800 -22.5665 18.9743 -22.8842 17.9492 28.8605 27.0611 -22.6569 28.3488 2.5349 TIMING: 775800 CPU: 2253.51, 0.00289645/step Wall: 2253.51, 0.00289645/step, 3.39867 hours remaining, 205.351562 MB of memory in use. ENERGY: 775800 705.9847 2152.7510 1979.4369 128.7384 -206490.0826 17915.9586 0.0000 0.0000 34358.3422 -149248.8706 300.0599 -183607.2129 -149161.1407 299.3008 113.6044 146.1452 555826.7049 2.9218 2.9430 PRESSURE: 776000 63.4457 143.681 49.7322 143.682 -311.608 14.5435 49.733 14.5428 -100.535 GPRESSURE: 776000 92.9963 226.732 85.3466 120.696 -312.509 5.99865 86.5679 104.127 -37.0516 PRESSAVG: 776000 -85.566 15.41 -5.38936 15.4101 6.88007 -11.165 -5.3895 -11.1651 44.1098 GPRESSAVG: 776000 -85.9506 15.9564 -7.18819 13.8837 6.90128 -9.57722 -4.1488 -13.3446 44.1586 TIMING: 776000 CPU: 2254.09, 0.00289146/step Wall: 2254.09, 0.00289146/step, 3.39264 hours remaining, 205.351562 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: 776000 743.8528 2075.8338 1970.4126 118.7923 -206371.4770 17919.8681 0.0000 0.0000 34297.4961 -149245.2212 299.5286 -183542.7174 -149145.7210 299.0066 -116.2324 -85.5214 558767.3843 -11.5254 -11.6302 PRESSURE: 776200 -77.2377 -0.180508 -55.6358 -0.181539 -48.3216 101.342 -55.6348 101.341 -25.6421 GPRESSURE: 776200 -2.19375 39.7778 -83.686 -15.3508 -93.8811 64.1639 -26.9053 147.619 38.7577 PRESSAVG: 776200 -5.74472 -18.901 -7.04245 -18.9011 19.6036 7.67386 -7.04242 7.6738 -60.7314 GPRESSAVG: 776200 -5.43288 -19.5438 -5.61812 -18.65 19.9278 7.99246 -7.84071 8.77757 -61.3903 TIMING: 776200 CPU: 2254.67, 0.0029048/step Wall: 2254.67, 0.0029048/step, 3.40813 hours remaining, 205.351562 MB of memory in use. ENERGY: 776200 723.0400 2098.0947 1977.8739 110.0317 -206367.6227 17834.7296 0.0000 0.0000 34319.7253 -149304.1275 299.7227 -183623.8528 -149209.1433 299.4485 -50.4004 -19.1057 557898.0697 -15.6242 -15.6318 LDB: ============= START OF LOAD BALANCING ============== 2258.14 LDB: ============== END OF LOAD BALANCING =============== 2258.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2258.14 LDB: ============= START OF LOAD BALANCING ============== 2258.43 LDB: Largest compute 4827 load 0.030879 is 26.2% of average load 0.117644 LDB: Average compute 0.001735 is 1.5% of average load 0.117644 LDB: TIME 2258.43 LOAD: AVG 0.117644 MAX 0.177855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.223 MB LDB: TIME 2258.43 LOAD: AVG 0.117644 MAX 0.177855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.297 MB LDB: TIME 2258.43 LOAD: AVG 0.117644 MAX 0.177855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.297 MB LDB: ============== END OF LOAD BALANCING =============== 2258.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2258.44 PRESSURE: 776400 -97.0253 -143.476 6.10954 -143.477 6.4482 -173.264 6.10955 -173.264 220.24 GPRESSURE: 776400 -78.6805 -86.4427 -33.6577 -85.5612 101.168 -135.229 -23.1575 -189.758 218.117 PRESSAVG: 776400 -74.5046 3.00313 29.7869 3.00309 62.8298 7.46713 29.7869 7.46704 -15.3556 GPRESSAVG: 776400 -74.9294 1.82595 29.4828 5.02765 62.8478 6.8477 28.465 7.34451 -15.327 TIMING: 776400 CPU: 2255.26, 0.00294267/step Wall: 2255.26, 0.00294267/step, 3.45241 hours remaining, 203.921875 MB of memory in use. ENERGY: 776400 746.3687 2168.8594 1973.5989 111.4278 -206171.4729 17855.9533 0.0000 0.0000 34205.9008 -149109.3641 298.7286 -183315.2649 -149011.9104 299.0192 43.2209 80.2013 557602.1226 -9.0102 -9.1362 PRESSURE: 776600 -34.015 77.5546 -1.56522 77.5555 51.1408 125.771 -1.56434 125.769 17.6188 GPRESSURE: 776600 -25.9527 119.009 -4.14115 59.3302 103.018 93.3733 -18.2722 149.791 49.9835 PRESSAVG: 776600 -41.1191 18.9324 16.6532 18.9324 93.586 -1.10701 16.6532 -1.10714 2.4222 GPRESSAVG: 776600 -41.1696 18.6336 16.8282 17.1227 93.1008 -2.56605 19.1011 -0.44996 2.6967 TIMING: 776600 CPU: 2255.84, 0.00289326/step Wall: 2255.84, 0.00289326/step, 3.39427 hours remaining, 203.921875 MB of memory in use. ENERGY: 776600 715.6478 2145.0568 1946.9928 124.3779 -206170.7752 17882.8072 0.0000 0.0000 34312.3242 -149043.5686 299.6581 -183355.8928 -148951.1366 300.0247 11.5815 42.3498 558933.0058 18.2964 18.2093 PRESSURE: 776800 56.1501 -132.389 -36.0266 -132.389 -66.716 50.7778 -36.0269 50.7773 169.242 GPRESSURE: 776800 68.1696 -105.674 -37.9229 -180.673 11.9396 4.04824 -51.5801 27.0499 172.264 PRESSAVG: 776800 8.61509 7.92737 -16.8234 7.92728 41.3759 20.8567 -16.8234 20.8566 -79.1187 GPRESSAVG: 776800 9.48454 8.80858 -16.2402 7.36435 40.8582 21.7935 -18.7632 21.1476 -79.1603 TIMING: 776800 CPU: 2256.42, 0.00290031/step Wall: 2256.42, 0.00290031/step, 3.40238 hours remaining, 203.921875 MB of memory in use. ENERGY: 776800 746.9272 2127.6348 2001.1676 117.4802 -206303.4488 17941.2765 0.0000 0.0000 34500.5571 -148868.4054 301.3019 -183368.9625 -148781.7630 299.7832 52.8919 84.1245 559211.2451 -9.7093 -9.6059 PRESSURE: 777000 206.236 191.216 73.8938 191.217 123.608 -47.7319 73.895 -47.7325 -77.4326 GPRESSURE: 777000 200.589 244.371 4.17009 134.643 180.521 -25.6842 169.836 -43.5145 -26.7537 PRESSAVG: 777000 25.9939 28.235 14.8506 28.2351 4.02994 -5.54999 14.8505 -5.54991 26.2441 GPRESSAVG: 777000 23.813 28.9823 17.3738 29.3344 4.75152 -4.82917 13.2914 -6.49451 27.7359 TIMING: 777000 CPU: 2257, 0.00289982/step Wall: 2257, 0.00289982/step, 3.40165 hours remaining, 203.921875 MB of memory in use. ENERGY: 777000 753.7821 2162.9773 1940.2409 110.1038 -206606.4764 18179.1053 0.0000 0.0000 34439.7510 -149020.5161 300.7709 -183460.2670 -148923.0324 300.3242 84.1372 118.1188 559326.9639 18.7560 18.7668 PRESSURE: 777200 -76.0049 10.1591 33.8252 10.159 118.49 85.1759 33.8249 85.1748 35.1721 GPRESSURE: 777200 -7.70069 9.82267 -48.0977 -81.4675 98.8589 86.7595 103.738 61.6214 79.7715 PRESSAVG: 777200 26.0611 31.8262 12.8312 31.8262 -70.0497 1.53178 12.8311 1.53168 -1.50763 GPRESSAVG: 777200 26.8338 29.1488 10.7016 31.5413 -70.38 2.81519 15.4319 1.43138 -2.37185 TIMING: 777200 CPU: 2257.58, 0.00287888/step Wall: 2257.58, 0.00287888/step, 3.37692 hours remaining, 203.921875 MB of memory in use. ENERGY: 777200 742.1061 2102.4913 1976.2022 125.4625 -206382.2615 17953.6042 0.0000 0.0000 34382.9649 -149099.4303 300.2750 -183482.3952 -148996.0843 299.8157 25.8857 56.9766 557974.6838 -15.1654 -15.3060 PRESSURE: 777400 -263.072 83.9139 -154.788 83.9143 -152.843 8.80201 -154.788 8.80176 -255.019 GPRESSURE: 777400 -242.648 98.4793 -175.373 90.6532 -116.354 -90.5049 -49.8104 72.1567 -215.339 PRESSAVG: 777400 -42.8317 1.45825 -29.0133 1.4583 20.9099 0.72684 -29.0134 0.726813 14.4596 GPRESSAVG: 777400 -42.3894 2.94976 -30.5762 0.535739 20.8092 -0.292294 -29.4511 0.652132 13.6213 TIMING: 777400 CPU: 2258.15, 0.00288131/step Wall: 2258.15, 0.00288131/step, 3.37961 hours remaining, 203.921875 MB of memory in use. ENERGY: 777400 798.9984 2115.5675 1964.4963 116.3019 -205801.7117 17495.2704 0.0000 0.0000 34205.2928 -149105.7843 298.7233 -183311.0771 -149001.9546 299.1773 -223.6445 -191.4469 557640.5219 -2.4874 -2.6530 PRESSURE: 777600 -252.75 78.6446 -60.9393 78.6446 213.75 -24.9872 -60.9391 -24.9881 -241.071 GPRESSURE: 777600 -234.519 52.2361 -99.0935 80.3498 199.576 6.49248 -27.197 -35.9638 -153.484 PRESSAVG: 777600 10.8696 12.4215 -23.6177 12.4215 55.0042 -22.9122 -23.6177 -22.9121 -14.0827 GPRESSAVG: 777600 11.2641 14.2067 -22.1763 13.9766 54.2395 -24.6222 -25.1419 -22.8272 -13.7132 TIMING: 777600 CPU: 2258.74, 0.00291455/step Wall: 2258.74, 0.00291455/step, 3.41845 hours remaining, 203.921875 MB of memory in use. ENERGY: 777600 726.4159 2120.2621 1975.9912 108.5814 -206146.9863 17697.1424 0.0000 0.0000 34406.9209 -149111.6724 300.4842 -183518.5933 -149014.1206 299.4237 -93.3573 -62.8088 556570.8899 17.2637 17.2635 PRESSURE: 777800 -280.031 -3.58908 -91.0442 -3.58875 -131.442 -52.3346 -91.0447 -52.3339 -248.753 GPRESSURE: 777800 -309.34 -47.7332 -47.0075 29.8483 -66.145 -78.1879 -90.7906 -100.94 -178.945 PRESSAVG: 777800 -19.5902 15.9894 4.25819 15.9893 50.4337 -19.8021 4.25819 -19.8021 -39.4319 GPRESSAVG: 777800 -19.9508 14.3746 2.5393 14.969 50.9244 -19.5137 5.7974 -18.7422 -39.6854 TIMING: 777800 CPU: 2259.32, 0.00291141/step Wall: 2259.32, 0.00291141/step, 3.4146 hours remaining, 203.921875 MB of memory in use. ENERGY: 777800 753.9570 2049.2418 1976.6913 116.6451 -205806.7541 17478.1965 0.0000 0.0000 34251.2873 -149180.7351 299.1250 -183432.0224 -149085.5562 299.2333 -220.0755 -184.8099 558750.0552 -2.8628 -2.9039 PRESSURE: 778000 125.436 -65.6605 110.809 -65.6602 117.484 -43.5813 110.808 -43.5813 -160.735 GPRESSURE: 778000 164.662 25.7178 72.9126 -94.4832 172.228 5.67139 168.25 -48.6617 -170.284 PRESSAVG: 778000 0.013813 -16.1838 7.62411 -16.1838 69.0917 -33.1466 7.62414 -33.1466 -60.5819 GPRESSAVG: 778000 0.464551 -15.394 7.94805 -16.4836 69.6871 -32.6829 6.6379 -33.7659 -61.304 TIMING: 778000 CPU: 2259.9, 0.00290025/step Wall: 2259.9, 0.00290025/step, 3.40135 hours remaining, 203.921875 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: 778000 704.5356 2095.3045 1965.9390 118.2925 -206315.4655 17846.9334 0.0000 0.0000 34456.7531 -149127.7073 300.9194 -183584.4604 -149032.6152 299.0155 27.3947 55.5352 558021.9391 2.8412 2.9492 PRESSURE: 778200 110.337 -32.6163 52.5137 -32.6162 106.428 -160.466 52.5146 -160.466 -46.1567 GPRESSURE: 778200 111.606 -13.6532 79.6473 -58.7487 143.687 -268.264 9.4276 -110.678 12.5225 PRESSAVG: 778200 27.7285 -28.88 37.8898 -28.88 33.6621 -28.0609 37.8898 -28.0609 -52.6366 GPRESSAVG: 778200 26.5338 -27.5761 38.2656 -31.5888 33.1586 -26.4114 37.6807 -28.1844 -50.8491 TIMING: 778200 CPU: 2260.47, 0.00286738/step Wall: 2260.47, 0.00286738/step, 3.36264 hours remaining, 203.921875 MB of memory in use. ENERGY: 778200 732.8508 2112.8233 1969.2025 106.7435 -205845.2664 17643.9452 0.0000 0.0000 34291.2834 -148988.4176 299.4743 -183279.7010 -148894.7085 299.5305 56.8694 89.2718 558410.1141 2.9180 2.9478 PRESSURE: 778400 188.532 72.2433 17.5154 72.2434 4.69845 19.1705 17.5149 19.1712 -76.1776 GPRESSURE: 778400 175.505 39.8301 77.3542 55.7675 72.0321 -83.2599 -26.5006 65.7462 -19.9044 PRESSAVG: 778400 -27.7707 15.7624 12.5411 15.7624 25.5967 34.4923 12.5411 34.4922 11.9271 GPRESSAVG: 778400 -26.5421 16.072 13.118 17.2643 25.9964 32.3376 12.3479 34.5424 10.7127 TIMING: 778400 CPU: 2261.05, 0.00288699/step Wall: 2261.05, 0.00288699/step, 3.38547 hours remaining, 203.921875 MB of memory in use. ENERGY: 778400 779.0376 2095.7213 1977.2489 106.9264 -206396.8501 18025.2405 0.0000 0.0000 34508.6137 -148904.0617 301.3723 -183412.6754 -148805.1842 299.7591 39.0176 75.8775 557389.5905 3.2510 3.3890 PRESSURE: 778600 203.504 -162.342 12.926 -162.341 -69.7325 54.362 12.9263 54.3625 175.656 GPRESSURE: 778600 165.473 -236.298 -51.2596 -142.931 -25.4368 7.2271 -51.5769 69.2259 256.62 PRESSAVG: 778600 34.0915 22.8273 -1.22323 22.8272 -36.6128 6.87881 -1.22318 6.87883 5.67738 GPRESSAVG: 778600 33.0925 21.8412 -1.81952 22.1901 -35.8336 9.09754 -1.37074 4.84998 5.58408 TIMING: 778600 CPU: 2261.62, 0.00287597/step Wall: 2261.62, 0.00287597/step, 3.37239 hours remaining, 203.921875 MB of memory in use. ENERGY: 778600 757.2572 2160.2920 1960.6149 119.1600 -206156.1266 18031.7392 0.0000 0.0000 34205.8075 -148921.2557 298.7278 -183127.0633 -148826.6437 300.0960 103.1423 132.2188 558048.9542 1.0520 0.9477 PRESSURE: 778800 -273.651 102.75 15.9784 102.752 -234.155 -25.7752 15.9783 -25.777 -95.6196 GPRESSURE: 778800 -193.717 72.5853 63.4565 -16.0423 -140.596 -122.21 98.7777 -13.985 -172.53 PRESSAVG: 778800 -19.4823 21.3442 31.4183 21.3441 -18.1416 11.2523 31.4184 11.2521 -12.1157 GPRESSAVG: 778800 -18.1564 21.5618 33.5903 22.38 -19.4521 11.2844 32.2818 12.6125 -11.763 TIMING: 778800 CPU: 2262.2, 0.00287472/step Wall: 2262.2, 0.00287472/step, 3.37077 hours remaining, 204.089844 MB of memory in use. ENERGY: 778800 767.8510 2130.2815 1993.7483 107.8355 -205952.8694 17558.9092 0.0000 0.0000 34301.5144 -149092.7295 299.5637 -183394.2438 -148991.5046 299.9592 -201.1416 -168.9474 559138.4975 -16.5799 -16.4572 PRESSURE: 779000 12.3605 -95.495 -70.0624 -95.4956 -155.44 -47.719 -70.0611 -47.719 -85.9206 GPRESSURE: 779000 32.8798 -50.0986 57.7772 -137.118 -89.6483 -32.588 -101.336 -82.7478 -75.758 PRESSAVG: 779000 2.22666 -39.2043 21.0305 -39.2043 13.5968 4.639 21.0305 4.63897 -4.24034 GPRESSAVG: 779000 1.78674 -41.2971 21.3647 -38.1097 13.4486 2.9172 20.8416 6.62832 -3.9402 TIMING: 779000 CPU: 2262.78, 0.00290213/step Wall: 2262.78, 0.00290213/step, 3.40274 hours remaining, 204.148438 MB of memory in use. ENERGY: 779000 788.1644 2116.0196 1979.1770 119.0138 -206257.3692 17884.9686 0.0000 0.0000 34176.3103 -149193.7156 298.4702 -183370.0259 -149097.0408 299.6552 -76.3333 -44.1755 557670.7164 3.8611 3.7650 PRESSURE: 779200 -54.5025 -70.7539 -112.885 -70.7544 -55.7485 61.2322 -112.884 61.2317 -278.181 GPRESSURE: 779200 -11.2802 -69.3951 16.3733 -138.557 -36.4289 85.8722 -109.254 70.9241 -247.358 PRESSAVG: 779200 68.727 -13.0325 -43.3255 -13.0325 -18.3887 17.1401 -43.3255 17.1401 -25.0785 GPRESSAVG: 779200 68.8331 -12.278 -44.0202 -13.0915 -18.0763 17.4326 -42.4164 17.9947 -26.0478 TIMING: 779200 CPU: 2263.36, 0.00289466/step Wall: 2263.36, 0.00289466/step, 3.39383 hours remaining, 204.148438 MB of memory in use. ENERGY: 779200 769.6261 2160.5407 1942.6349 112.0170 -206361.2881 17820.8559 0.0000 0.0000 34289.1414 -149266.4720 299.4556 -183555.6134 -149175.3880 299.0065 -129.4773 -98.3558 558357.4244 8.4199 8.2363 PRESSURE: 779400 8.65418 -109.886 99.3702 -109.886 136.864 -71.1658 99.3719 -71.1665 13.1105 GPRESSURE: 779400 43.8013 -71.5582 41.9524 -77.7102 142.71 -147.649 175.088 -60.7477 62.9615 PRESSAVG: 779400 -32.6849 -15.8858 12.0963 -15.8858 34.0181 -13.1062 12.0963 -13.1062 -7.78037 GPRESSAVG: 779400 -32.7476 -16.0598 11.319 -14.5226 34.2435 -11.0995 12.3715 -17.0396 -7.69206 TIMING: 779400 CPU: 2263.94, 0.00289873/step Wall: 2263.94, 0.00289873/step, 3.39844 hours remaining, 204.148438 MB of memory in use. ENERGY: 779400 740.2917 2065.0822 1986.2867 116.6363 -206316.4837 17910.8765 0.0000 0.0000 34167.8845 -149329.4259 298.3966 -183497.3103 -149237.1058 298.4988 52.8764 83.1576 557812.2574 -2.1491 -2.0654 PRESSURE: 779600 167.649 199.288 -142.888 199.29 61.0996 -104.655 -142.889 -104.654 87.1324 GPRESSURE: 779600 162.395 273.427 -128.123 218.938 36.3086 -137.305 -143.94 -160.426 191.277 PRESSAVG: 779600 4.49485 -31.4672 -19.4435 -31.4672 -37.3165 -25.1129 -19.4435 -25.1128 16.0282 GPRESSAVG: 779600 4.14062 -30.6787 -19.7806 -33.6956 -38.0376 -26.559 -20.0148 -21.9011 16.9679 TIMING: 779600 CPU: 2264.52, 0.00290206/step Wall: 2264.52, 0.00290206/step, 3.40218 hours remaining, 204.148438 MB of memory in use. ENERGY: 779600 760.7777 2074.0800 1998.8476 117.3996 -206489.5658 18106.5542 0.0000 0.0000 34179.6181 -149252.2887 298.4991 -183431.9068 -149154.0972 298.7909 105.2938 129.9938 557447.0288 -5.5978 -5.6430 PRESSURE: 779800 -25.4672 -129.077 134.484 -129.078 -92.6262 180.725 134.482 180.726 -43.2437 GPRESSURE: 779800 -73.0627 -99.3178 168.09 -164.166 -14.4281 143.01 86.0065 156.061 26.8365 PRESSAVG: 779800 -5.37638 55.2824 -2.29118 55.2823 -41.2229 -29.6097 -2.29121 -29.6097 -11.2473 GPRESSAVG: 779800 -5.00847 53.304 -1.89898 57.2216 -40.0736 -29.6571 -3.03704 -30.8544 -12.4504 TIMING: 779800 CPU: 2265.1, 0.0028902/step Wall: 2265.1, 0.0028902/step, 3.38812 hours remaining, 204.167969 MB of memory in use. ENERGY: 779800 735.0330 2144.6867 2002.4243 113.4575 -206182.6478 17670.4990 0.0000 0.0000 34116.5360 -149400.0113 297.9482 -183516.5473 -149296.2273 298.8113 -53.7790 -20.2181 556513.8631 -19.2822 -19.1775 PRESSURE: 780000 -284.538 -115.144 -99.3537 -115.144 -10.6748 -148.873 -99.3519 -148.872 -128.072 GPRESSURE: 780000 -214.949 -160.385 -124.057 -50.0423 -18.4835 -184.935 -25.9439 -43.1116 -79.5674 PRESSAVG: 780000 5.02276 2.46108 -43.016 2.46115 -29.68 -8.5906 -43.016 -8.59059 38.0393 GPRESSAVG: 780000 5.46123 4.69733 -42.4225 0.944718 -30.7096 -7.38862 -43.5764 -8.23046 38.6098 TIMING: 780000 CPU: 2265.68, 0.00290918/step Wall: 2265.68, 0.00290918/step, 3.4102 hours remaining, 204.167969 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: 780000 736.6841 2181.0550 1990.5903 117.8757 -205918.3293 17528.1910 0.0000 0.0000 34030.2065 -149333.7268 297.1943 -183363.9333 -149237.0169 297.9280 -141.0947 -104.3332 556106.7969 4.4607 4.4538 PRESSURE: 780200 -11.3591 -136.356 -115.932 -136.355 222.834 -62.339 -115.933 -62.3398 -75.3911 GPRESSURE: 780200 87.6663 -162.738 -167.162 -63.5523 157.49 -30.3254 -155.014 -22.6071 -15.3896 PRESSAVG: 780200 -42.184 12.9261 -73.9474 12.9261 -33.7778 -5.40638 -73.9474 -5.40629 44.4633 GPRESSAVG: 780200 -42.0116 12.2489 -72.8449 12.6236 -33.6027 -5.12572 -74.0787 -7.6372 43.9046 TIMING: 780200 CPU: 2266.26, 0.00289908/step Wall: 2266.26, 0.00289908/step, 3.3982 hours remaining, 204.167969 MB of memory in use. ENERGY: 780200 733.6144 2123.2552 1981.5227 116.7831 -206350.0480 17778.4904 0.0000 0.0000 34221.6807 -149394.7015 298.8664 -183616.3822 -149293.9633 299.2007 45.3611 76.5890 555884.9121 -10.4995 -10.5699 LDB: ============= START OF LOAD BALANCING ============== 2269.72 LDB: ============== END OF LOAD BALANCING =============== 2269.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2269.72 LDB: ============= START OF LOAD BALANCING ============== 2270.01 LDB: Largest compute 4827 load 0.028842 is 24.5% of average load 0.117547 LDB: Average compute 0.001734 is 1.5% of average load 0.117547 LDB: TIME 2270.02 LOAD: AVG 0.117547 MAX 0.178362 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.41 MB LDB: TIME 2270.02 LOAD: AVG 0.117547 MAX 0.178362 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: TIME 2270.02 LOAD: AVG 0.117547 MAX 0.178362 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: ============== END OF LOAD BALANCING =============== 2270.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2270.02 PRESSURE: 780400 -66.3968 0.702559 148.659 0.703084 214.903 9.47581 148.658 9.47552 139.616 GPRESSURE: 780400 -18.7499 14.372 102.547 14.2051 245.396 -49.2331 194.308 91.5544 157.4 PRESSAVG: 780400 -54.0487 -21.5697 -24.1895 -21.5698 50.7877 42.2193 -24.1896 42.2193 40.0582 GPRESSAVG: 780400 -53.6062 -21.5637 -25.9355 -22.3834 51.4843 40.8777 -20.6117 43.5421 39.0515 TIMING: 780400 CPU: 2266.85, 0.00294492/step Wall: 2266.85, 0.00294492/step, 3.45178 hours remaining, 204.980469 MB of memory in use. ENERGY: 780400 733.2868 2154.9258 1993.4488 110.8891 -206652.7397 17921.6275 0.0000 0.0000 34295.9790 -149442.5828 299.5153 -183738.5617 -149351.3661 298.5563 96.0408 128.0156 556441.6118 12.2657 12.3099 PRESSURE: 780600 200.604 203.084 -50.4398 203.084 -133.258 -51.8618 -50.44 -51.8599 194.93 GPRESSURE: 780600 216.846 185.856 -100.869 177.643 -94.5235 -106.73 -70.4549 -14.6539 233.867 PRESSAVG: 780600 63.6365 3.9489 -18.6334 3.949 -38.4565 22.3039 -18.6333 22.3039 -9.90523 GPRESSAVG: 780600 62.2196 5.01568 -16.1849 3.89002 -38.017 22.9973 -21.5726 23.016 -9.06823 TIMING: 780600 CPU: 2267.42, 0.00288586/step Wall: 2267.42, 0.00288586/step, 3.38239 hours remaining, 205.183594 MB of memory in use. ENERGY: 780600 693.6451 2174.8371 2006.3349 112.5250 -206347.9590 17856.3147 0.0000 0.0000 34180.6624 -149323.6399 298.5082 -183504.3023 -149227.4070 298.5730 87.4250 118.7297 556605.8489 5.0916 5.0448 PRESSURE: 780800 -95.6569 -54.5018 -213.151 -54.5027 176.857 -98.351 -213.151 -98.3493 26.4837 GPRESSURE: 780800 -56.6164 1.0129 -194.755 -71.4564 231.926 -102.516 -196.5 -139.397 22.7887 PRESSAVG: 780800 9.16026 26.0222 -0.883007 26.0222 20.2859 10.8965 -0.88306 10.8965 18.3232 GPRESSAVG: 780800 9.98158 23.6775 -1.76185 26.7625 19.0248 9.62146 -1.28173 9.1253 18.1646 TIMING: 780800 CPU: 2268, 0.00288899/step Wall: 2268, 0.00288899/step, 3.3859 hours remaining, 205.183594 MB of memory in use. ENERGY: 780800 724.2820 2153.2334 1966.7640 116.7932 -206230.2938 17770.9158 0.0000 0.0000 34255.6985 -149242.6070 299.1635 -183498.3055 -149149.0505 299.1689 35.8945 66.0328 556660.9951 15.9231 15.7237 PRESSURE: 781000 -217.061 -19.2651 -91.2568 -19.2651 -103.063 131.424 -91.257 131.423 -331.865 GPRESSURE: 781000 -162.048 36.2174 -143.209 -28.2645 -100.005 161.66 -125.287 78.852 -274.063 PRESSAVG: 781000 -11.4396 6.58492 -23.2952 6.58478 7.16477 13.8558 -23.2952 13.8556 -15.0965 GPRESSAVG: 781000 -10.5249 5.12446 -24.2135 7.88722 7.16912 14.0626 -21.4276 14.7918 -15.9316 TIMING: 781000 CPU: 2268.58, 0.00290059/step Wall: 2268.58, 0.00290059/step, 3.39933 hours remaining, 205.183594 MB of memory in use. ENERGY: 781000 728.5027 2062.3411 1966.0574 103.3837 -206060.9626 17554.7962 0.0000 0.0000 34259.9721 -149385.9094 299.2009 -183645.8814 -149290.9019 298.4874 -217.3296 -178.7053 558145.2718 -6.4571 -6.4291 PRESSURE: 781200 -60.0412 -35.4179 -53.6283 -35.4173 -82.0341 -27.6969 -53.6277 -27.6963 95.4307 GPRESSURE: 781200 33.029 -76.4216 -79.7128 64.9342 -118.614 -37.0198 -43.5561 -2.58715 133.209 PRESSAVG: 781200 11.1213 27.5131 -43.5547 27.5132 18.0613 8.6739 -43.5547 8.67393 -26.2998 GPRESSAVG: 781200 11.8961 30.0227 -41.3962 27.4631 18.2215 7.44795 -45.0757 9.15425 -27.4403 TIMING: 781200 CPU: 2269.16, 0.00288636/step Wall: 2269.16, 0.00288636/step, 3.38249 hours remaining, 205.183594 MB of memory in use. ENERGY: 781200 715.2897 2139.8904 1953.4571 110.7333 -206088.3277 17655.5877 0.0000 0.0000 34158.0254 -149355.3441 298.3105 -183513.3695 -149264.9011 298.0677 -15.5482 15.8748 558185.4548 0.9609 0.8924 PRESSURE: 781400 112.137 134.409 22.4597 134.409 45.492 21.5575 22.459 21.557 145.653 GPRESSURE: 781400 109.737 165.679 78.5362 138.217 129.85 41.2974 -117.659 -10.3839 164.812 PRESSAVG: 781400 23.2013 11.0607 -22.9939 11.0606 -40.2667 26.4403 -22.9938 26.4402 62.6186 GPRESSAVG: 781400 23.3595 11.4589 -27.0711 10.2424 -41.6553 28.0213 -22.7605 26.4801 63.7771 TIMING: 781400 CPU: 2269.74, 0.00288534/step Wall: 2269.74, 0.00288534/step, 3.38114 hours remaining, 205.183594 MB of memory in use. ENERGY: 781400 754.0656 2133.0206 1967.5604 124.5469 -206446.5348 17966.5191 0.0000 0.0000 34291.8280 -149208.9942 299.4791 -183500.8222 -149114.8516 298.6937 101.0941 134.7997 555679.0863 15.1844 15.1604 PRESSURE: 781600 150.499 -145.44 -106.993 -145.442 -206.597 -72.971 -106.993 -72.9702 157.886 GPRESSURE: 781600 163.981 -150.362 -93.9246 -178.705 -143.135 -63.7083 -140.389 2.52022 174.455 PRESSAVG: 781600 96.79 10.5729 -31.3873 10.5728 -10.7195 21.914 -31.3871 21.914 -56.4694 GPRESSAVG: 781600 95.8806 11.9774 -29.817 10.7798 -9.63693 21.5549 -31.4141 21.6109 -56.0527 TIMING: 781600 CPU: 2270.31, 0.00288349/step Wall: 2270.31, 0.00288349/step, 3.37881 hours remaining, 205.183594 MB of memory in use. ENERGY: 781600 777.3073 2070.6895 1986.5892 108.7839 -206358.1749 18003.5759 0.0000 0.0000 34044.0790 -149367.1501 297.3154 -183411.2291 -149269.4860 298.7294 33.9290 65.1001 556970.9217 9.8670 10.0637 PRESSURE: 781800 -79.2988 -40.6903 87.2754 -40.6894 119.01 131.254 87.2738 131.255 -5.97745 GPRESSURE: 781800 -7.77138 -60.9762 139.845 -26.1461 93.483 132.562 -3.04315 95.7941 54.4803 PRESSAVG: 781800 -31.7765 7.42857 -5.22476 7.42858 9.53387 63.5355 -5.22478 63.5356 39.3583 GPRESSAVG: 781800 -31.5371 6.45361 -5.01721 7.11312 10.52 61.3317 -2.53342 64.4199 38.5263 TIMING: 781800 CPU: 2270.89, 0.0028982/step Wall: 2270.89, 0.0028982/step, 3.39589 hours remaining, 205.183594 MB of memory in use. ENERGY: 781800 786.3747 2116.7729 1977.3921 125.9638 -206310.5867 17823.0466 0.0000 0.0000 34214.8302 -149266.2065 298.8066 -183481.0367 -149169.4095 299.5193 11.2445 46.7306 555280.5537 5.7052 5.8364 PRESSURE: 782000 -126.754 89.9848 127.04 89.9854 40.6029 -70.8393 127.04 -70.8395 28.657 GPRESSURE: 782000 -161.691 77.719 37.6556 104.66 125.905 -49.309 157.31 -61.678 82.653 PRESSAVG: 782000 44.0968 -2.19534 17.8849 -2.19542 9.67501 4.13376 17.8848 4.13359 -55.3346 GPRESSAVG: 782000 43.9366 -3.36414 18.991 -2.84586 9.32707 6.50885 15.0996 0.815102 -54.3416 TIMING: 782000 CPU: 2271.47, 0.00288117/step Wall: 2271.47, 0.00288117/step, 3.37577 hours remaining, 205.304688 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: 782000 717.3248 2094.3131 1975.4346 120.8292 -206209.1978 17719.0743 0.0000 0.0000 34405.2291 -149176.9929 300.4694 -183582.2220 -149078.4013 299.5534 -19.1646 15.6225 557003.6597 -0.5209 -0.3593 PRESSURE: 782200 -130.68 59.7064 -57.134 59.7064 137.928 -16.1884 -57.1346 -16.1882 -125.06 GPRESSURE: 782200 -56.2911 67.5405 13.3787 66.4729 137.44 -2.45823 -41.9738 -22.7024 -86.3802 PRESSAVG: 782200 32.5195 15.7993 47.3474 15.7992 30.1855 20.2485 47.3473 20.2485 -32.1005 GPRESSAVG: 782200 32.4516 18.3023 47.6853 14.3778 29.7636 20.6561 46.2432 20.5563 -31.757 TIMING: 782200 CPU: 2272.05, 0.00289506/step Wall: 2272.05, 0.00289506/step, 3.39188 hours remaining, 205.371094 MB of memory in use. ENERGY: 782200 712.2071 2132.4323 1963.4254 112.4935 -206318.3268 17803.4675 0.0000 0.0000 34346.7444 -149247.5566 299.9587 -183594.3010 -149150.7901 299.5223 -39.2706 -1.7437 557895.3934 10.2015 10.1527 PRESSURE: 782400 -54.6346 53.5027 155.618 53.5025 141.71 -40.5543 155.617 -40.5539 -56.3038 GPRESSURE: 782400 16.4342 181.526 145.283 -4.99674 169.397 9.49481 211.006 -33.7903 -39.7339 PRESSAVG: 782400 -29.447 58.1118 25.5705 58.1118 -16.6849 -3.49762 25.5703 -3.49788 19.3597 GPRESSAVG: 782400 -28.7608 55.8284 24.465 60.025 -16.8146 -3.41591 26.7341 -1.82007 18.7346 TIMING: 782400 CPU: 2272.63, 0.00289136/step Wall: 2272.63, 0.00289136/step, 3.38738 hours remaining, 205.371094 MB of memory in use. ENERGY: 782400 723.1980 2119.2561 1989.2757 109.7068 -206309.4671 17875.0616 0.0000 0.0000 34297.8005 -149195.1684 299.5312 -183492.9689 -149100.6986 299.3246 10.2573 48.6991 556386.8024 -8.9241 -8.9469 PRESSURE: 782600 58.9614 13.9884 1.00782 13.9897 -127.743 119.773 1.00716 119.773 92.1885 GPRESSURE: 782600 127.05 93.0869 117.099 -47.302 -113.719 55.5173 -82.2751 104.3 105.685 PRESSAVG: 782600 8.17015 -4.59219 -7.35336 -4.59222 6.34079 59.915 -7.35332 59.915 63.4982 GPRESSAVG: 782600 7.66495 -5.16234 -7.7658 -5.54611 6.25991 59.9608 -5.20656 59.6786 64.1083 TIMING: 782600 CPU: 2273.2, 0.00287297/step Wall: 2273.2, 0.00287297/step, 3.36569 hours remaining, 205.371094 MB of memory in use. ENERGY: 782600 735.4893 2060.2615 1969.4688 110.5439 -206477.7106 17947.0417 0.0000 0.0000 34435.5270 -149219.3784 300.7340 -183654.9054 -149122.6844 299.2782 7.8021 39.6719 557159.7959 26.0030 26.0111 PRESSURE: 782800 -65.0036 18.2603 44.095 18.2605 -46.7175 83.9047 44.0954 83.9048 -137.05 GPRESSURE: 782800 25.5935 -30.0365 17.8366 65.4478 12.898 93.3807 8.38864 115.748 -181.524 PRESSAVG: 782800 32.2701 -4.21525 26.8036 -4.21519 7.69279 -3.75465 26.8035 -3.75447 15.1903 GPRESSAVG: 782800 31.7462 -2.68058 28.8762 -5.3402 7.92861 -6.25487 24.5438 -1.48201 15.173 TIMING: 782800 CPU: 2273.78, 0.00287278/step Wall: 2273.78, 0.00287278/step, 3.36531 hours remaining, 205.371094 MB of memory in use. ENERGY: 782800 734.3574 2103.8684 1993.8421 110.4678 -206058.4727 17530.8149 0.0000 0.0000 34295.6319 -149289.4900 299.5123 -183585.1220 -149186.9763 299.0054 -82.9236 -47.6777 555963.4275 18.3844 18.2826 PRESSURE: 783000 11.0686 94.2499 86.5853 94.2496 -2.08139 54.4471 86.5852 54.4467 -240.11 GPRESSURE: 783000 37.9642 88.6049 120.457 64.1488 10.2973 60.5782 20.1549 77.8017 -185.863 PRESSAVG: 783000 17.0043 -3.8316 -2.9543 -3.83158 9.69349 41.0766 -2.95436 41.0767 -30.6296 GPRESSAVG: 783000 17.337 -5.09062 -3.06291 -2.62538 9.59036 42.2143 -3.25088 39.3869 -30.5908 TIMING: 783000 CPU: 2274.35, 0.00288064/step Wall: 2274.35, 0.00288064/step, 3.37435 hours remaining, 205.371094 MB of memory in use. ENERGY: 783000 712.5632 1993.1939 1993.4259 105.8788 -205997.8555 17570.9203 0.0000 0.0000 34357.4609 -149264.4125 300.0523 -183621.8734 -149166.8014 299.6943 -77.0411 -45.8670 556606.4182 -1.3106 -1.2212 PRESSURE: 783200 333.089 44.9498 67.2539 44.9516 43.0914 -30.9374 67.2526 -30.936 23.2218 GPRESSURE: 783200 377.728 -37.9702 66.1206 113.247 70.3629 14.1647 43.8722 -48.9263 43.0651 PRESSAVG: 783200 37.5537 10.1378 -32.2481 10.1378 51.9978 -5.7354 -32.248 -5.73542 -36.7585 GPRESSAVG: 783200 36.908 11.1913 -34.4697 9.36468 52.7743 -4.20526 -31.4291 -6.67645 -36.5313 TIMING: 783200 CPU: 2274.93, 0.00289286/step Wall: 2274.93, 0.00289286/step, 3.3885 hours remaining, 205.371094 MB of memory in use. ENERGY: 783200 733.5421 2096.6674 1971.5430 105.9426 -206437.3540 17862.3709 0.0000 0.0000 34645.3397 -149021.9483 302.5664 -183667.2880 -148924.2475 300.2944 133.1341 163.7185 554692.9847 17.5977 17.7170 PRESSURE: 783400 -3.66344 170.741 84.9074 170.74 226.85 117.57 84.9077 117.569 112.102 GPRESSURE: 783400 20.9141 229.411 16.0957 59.2003 206.954 94.7506 70.8045 126.235 196.586 PRESSAVG: 783400 -16.7597 33.7732 17.0789 33.7732 -18.8859 -36.4364 17.0789 -36.4364 -33.8592 GPRESSAVG: 783400 -16.863 33.7694 16.6021 33.686 -18.9985 -38.116 16.8336 -35.6936 -33.9414 TIMING: 783400 CPU: 2275.51, 0.00291517/step Wall: 2275.51, 0.00291517/step, 3.41447 hours remaining, 205.371094 MB of memory in use. ENERGY: 783400 761.7198 2087.8086 1953.6205 139.6316 -206275.6124 17870.8774 0.0000 0.0000 34302.9206 -149159.0339 299.5759 -183461.9545 -149065.2448 299.4246 111.7629 141.4847 555690.4627 -23.1682 -23.2676 PRESSURE: 783600 -68.4436 -231.485 -14.3988 -231.485 -116.955 -117.013 -14.3982 -117.013 -9.98196 GPRESSURE: 783600 -14.0026 -151.297 15.9068 -168.461 -111.049 -174.879 -76.4994 -132.738 19.8823 PRESSAVG: 783600 -3.7224 -41.5288 25.983 -41.5288 1.49712 -4.52126 25.9829 -4.5214 -29.2474 GPRESSAVG: 783600 -2.90506 -41.9845 27.1864 -40.5785 0.593488 -2.58618 25.1881 -5.82064 -29.0493 TIMING: 783600 CPU: 2276.09, 0.00287762/step Wall: 2276.09, 0.00287762/step, 3.37033 hours remaining, 205.371094 MB of memory in use. ENERGY: 783600 741.8602 2104.0906 1967.8010 105.6552 -206212.6223 17679.9602 0.0000 0.0000 34504.0661 -149109.1890 301.3326 -183613.2551 -149009.7172 299.7145 -65.1269 -35.0563 556567.0787 -10.4909 -10.4536 PRESSURE: 783800 108.328 134.001 -125.005 134 -213.817 -7.62872 -125.006 -7.62942 -60.2931 GPRESSURE: 783800 111.267 44.2958 -111.473 140.759 -192.48 -54.7257 -73.5128 -2.13905 16.9419 PRESSAVG: 783800 -8.38064 29.4058 -15.3554 29.4059 -16.2914 19.8024 -15.3554 19.8024 -1.29564 GPRESSAVG: 783800 -9.32374 28.7338 -17.1136 27.3675 -15.5687 19.2557 -14.1718 20.095 -1.51051 TIMING: 783800 CPU: 2276.66, 0.00287762/step Wall: 2276.66, 0.00287762/step, 3.37017 hours remaining, 205.371094 MB of memory in use. ENERGY: 783800 766.5789 2103.6852 1971.5016 104.6808 -206425.0285 17802.4110 0.0000 0.0000 34541.6006 -149134.5703 301.6604 -183676.1709 -149031.1212 299.8501 -55.2607 -21.4239 555580.4363 -8.6559 -8.8010 PRESSURE: 784000 38.5297 96.2268 66.2916 96.2269 -34.1713 13.0447 66.2915 13.0463 32.883 GPRESSURE: 784000 88.0271 133.927 70.9398 131.058 -91.0256 -21.2621 193.966 -22.6975 134.204 PRESSAVG: 784000 -36.2808 10.2635 -2.8613 10.2635 13.4019 18.7525 -2.86126 18.7525 1.88529 GPRESSAVG: 784000 -35.2414 12.1001 0.788647 11.9275 12.6455 16.9531 -3.64111 17.8614 1.60966 TIMING: 784000 CPU: 2277.24, 0.00286654/step Wall: 2277.24, 0.00286654/step, 3.35703 hours remaining, 205.371094 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: 784000 756.6332 2096.2601 1962.6868 131.2702 -206225.8770 17756.9189 0.0000 0.0000 34217.6177 -149304.4901 298.8310 -183522.1078 -149204.6728 299.5419 12.4138 43.7350 556675.9781 -6.9979 -6.9954 PRESSURE: 784200 46.4712 -65.8378 108.286 -65.8388 170.492 104.559 108.287 104.56 164.613 GPRESSURE: 784200 75.5478 -68.3622 192.189 -1.28216 202.888 159.789 10.5329 56.9365 197.161 PRESSAVG: 784200 37.1052 -10.1026 1.83029 -10.1026 -27.853 -8.8878 1.83034 -8.88767 -19.2532 GPRESSAVG: 784200 36.7252 -11.2792 1.8213 -9.89421 -27.5694 -7.32169 2.25579 -8.97402 -18.913 TIMING: 784200 CPU: 2277.82, 0.00288399/step Wall: 2277.82, 0.00288399/step, 3.37731 hours remaining, 205.371094 MB of memory in use. ENERGY: 784200 752.9101 2106.3767 1964.8657 126.8732 -206569.1029 18098.2596 0.0000 0.0000 34274.1068 -149245.7108 299.3243 -183519.8176 -149147.0687 298.7612 127.1924 158.5324 555780.1259 -3.3337 -3.2524 LDB: ============= START OF LOAD BALANCING ============== 2281.28 LDB: ============== END OF LOAD BALANCING =============== 2281.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2281.28 LDB: ============= START OF LOAD BALANCING ============== 2281.57 LDB: Largest compute 4827 load 0.029976 is 25.5% of average load 0.117501 LDB: Average compute 0.001736 is 1.5% of average load 0.117501 LDB: TIME 2281.57 LOAD: AVG 0.117501 MAX 0.177537 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.203 MB LDB: TIME 2281.57 LOAD: AVG 0.117501 MAX 0.177537 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: TIME 2281.57 LOAD: AVG 0.117501 MAX 0.177537 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: ============== END OF LOAD BALANCING =============== 2281.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2281.58 PRESSURE: 784400 -4.09352 235.736 34.4522 235.737 -153.982 -75.3458 34.4526 -75.3449 -338.105 GPRESSURE: 784400 -12.7837 227.176 90.5943 283.659 -82.0969 -139.798 49.1358 -42.1111 -312.144 PRESSAVG: 784400 30.5078 10.198 14.5874 10.198 14.5317 -20.3374 14.5873 -20.3373 -13.7126 GPRESSAVG: 784400 31.0024 11.2767 12.0453 9.6436 13.9749 -20.1781 14.7335 -20.1146 -13.4688 TIMING: 784400 CPU: 2278.41, 0.00295198/step Wall: 2278.41, 0.00295198/step, 3.45677 hours remaining, 204.484375 MB of memory in use. ENERGY: 784400 775.1648 2120.3948 2000.2346 118.3121 -205895.2940 17519.3880 0.0000 0.0000 34083.9564 -149277.8434 297.6637 -183361.7997 -149187.7482 299.4468 -165.3935 -135.6748 557727.4742 10.4423 10.5028 PRESSURE: 784600 -34.5351 -30.3488 -6.46159 -30.3479 205.913 -61.5636 -6.46146 -61.5657 -49.9686 GPRESSURE: 784600 -11.1288 -40.2755 39.876 7.74322 288.819 -158.095 -107.165 30.5078 -46.493 PRESSAVG: 784600 25.2021 15.0819 -33.0582 15.0819 -6.21179 -39.2729 -33.0582 -39.2729 -22.6678 GPRESSAVG: 784600 24.9568 15.3233 -30.9953 14.9373 -6.67145 -41.4147 -34.5613 -39.049 -22.2525 TIMING: 784600 CPU: 2278.99, 0.00290307/step Wall: 2278.99, 0.00290307/step, 3.39933 hours remaining, 204.484375 MB of memory in use. ENERGY: 784600 727.5998 2094.3307 1971.6051 120.0662 -206277.6827 17749.3738 0.0000 0.0000 34215.3671 -149399.3400 298.8113 -183614.7071 -149306.9191 299.0090 40.4696 77.0656 556288.4863 -1.2258 -1.3224 PRESSURE: 784800 -312.71 -15.1187 89.9663 -15.119 -93.7138 51.0351 89.9655 51.035 31.9651 GPRESSURE: 784800 -318.929 80.2017 26.2863 -82.3085 -20.7648 -21.4319 75.1538 23.0102 58.5374 PRESSAVG: 784800 14.7019 44.9075 20.6741 44.9075 23.3099 42.6238 20.6741 42.6238 -49.5219 GPRESSAVG: 784800 15.0581 43.6704 19.8233 45.3706 23.913 42.5178 20.6198 44.3537 -50.6026 TIMING: 784800 CPU: 2279.57, 0.00290149/step Wall: 2279.57, 0.00290149/step, 3.39732 hours remaining, 204.484375 MB of memory in use. ENERGY: 784800 721.6020 2098.9922 1942.7768 121.3913 -206181.8418 17654.4057 0.0000 0.0000 34353.7400 -149288.9339 300.0198 -183642.6739 -149189.1863 299.6784 -124.8197 -93.7189 556610.1021 -3.8367 -3.8772 PRESSURE: 785000 76.8663 76.6055 45.2376 76.6044 179.77 31.7502 45.2375 31.7504 -108.599 GPRESSURE: 785000 102.114 141.084 47.0219 10.1224 199.134 112.243 97.6714 9.01028 -48.8158 PRESSAVG: 785000 -0.0290026 -1.429 39.2423 -1.42895 45.6287 -12.1577 39.2424 -12.1575 -82.6931 GPRESSAVG: 785000 0.890449 -0.477345 38.4114 0.135867 44.9378 -11.0422 41.9214 -13.009 -83.2388 TIMING: 785000 CPU: 2280.14, 0.00288898/step Wall: 2280.14, 0.00288898/step, 3.38251 hours remaining, 204.484375 MB of memory in use. ENERGY: 785000 748.1206 2143.4024 1998.0266 109.2499 -206604.1158 17988.3076 0.0000 0.0000 34283.1012 -149333.9077 299.4028 -183617.0088 -149248.4837 299.1792 49.3459 84.1438 556367.3011 -12.3645 -12.4702 PRESSURE: 785200 271.565 -75.4636 -167.91 -75.465 -74.216 138.799 -167.909 138.798 96.2666 GPRESSURE: 785200 251.464 -53.8385 -201.525 -102.812 -27.6819 87.1684 -216.269 143.797 167.201 PRESSAVG: 785200 -7.69073 -31.6199 19.1445 -31.6199 60.8822 21.0927 19.1446 21.0927 -1.52353 GPRESSAVG: 785200 -7.99752 -31.9856 16.6166 -33.6515 60.666 21.1834 20.2473 20.1406 -0.665725 TIMING: 785200 CPU: 2280.72, 0.00288115/step Wall: 2280.72, 0.00288115/step, 3.37319 hours remaining, 204.832031 MB of memory in use. ENERGY: 785200 736.7489 2168.6105 1972.3976 115.0582 -206912.5330 18241.4080 0.0000 0.0000 34225.3340 -149452.9757 298.8984 -183678.3097 -149356.9863 298.4231 97.8719 130.3279 557242.4631 17.2226 17.3343 PRESSURE: 785400 197.653 -103.137 52.725 -103.136 69.4347 -131.197 52.7233 -131.197 198.265 GPRESSURE: 785400 138.614 -144.75 13.15 -4.69254 133.457 -218.148 14.7418 -122.97 292.528 PRESSAVG: 785400 -40.0277 -40.0799 -1.74876 -40.08 33.6727 -16.2897 -1.7488 -16.2897 26.7291 GPRESSAVG: 785400 -39.3528 -43.6802 1.98238 -39.6102 32.5306 -16.579 -2.46875 -16.1369 27.2567 TIMING: 785400 CPU: 2281.3, 0.00288284/step Wall: 2281.3, 0.00288284/step, 3.375 hours remaining, 204.832031 MB of memory in use. ENERGY: 785400 735.8620 2138.6252 1950.1854 110.0152 -206680.0179 17968.6998 0.0000 0.0000 34310.2371 -149466.3932 299.6398 -183776.6303 -149375.5056 298.5400 155.1176 188.1998 555559.7996 6.7914 6.8115 PRESSURE: 785600 -73.3482 -77.1754 -4.1293 -77.1733 -172.63 48.3749 -4.12939 48.3742 152.983 GPRESSURE: 785600 -27.4291 -37.0228 -79.2833 -137.862 -135.537 71.9338 -53.1364 139.28 172.625 PRESSAVG: 785600 -51.1159 -6.63491 -19.7524 -6.63502 -10.4264 13.6785 -19.7524 13.6785 30.7984 GPRESSAVG: 785600 -52.244 -3.82726 -22.2876 -6.02729 -7.36543 14.5497 -20.3034 15.0025 29.8444 TIMING: 785600 CPU: 2281.88, 0.00290571/step Wall: 2281.88, 0.00290571/step, 3.40162 hours remaining, 204.832031 MB of memory in use. ENERGY: 785600 733.3624 2072.7985 1969.6432 118.7179 -206370.4504 17889.3591 0.0000 0.0000 34202.8301 -149383.7392 298.7018 -183586.5693 -149290.5769 298.2840 -30.9984 3.2196 556959.1764 -10.2479 -9.9217 PRESSURE: 785800 -39.1659 101.672 72.9366 101.672 -97.4838 34.0857 72.9374 34.0862 82.4239 GPRESSURE: 785800 -17.2225 85.3179 108.031 170.645 -31.5942 25.4744 25.7079 66.2458 85.2102 PRESSAVG: 785800 15.5266 -10.2747 -39.5595 -10.2747 -11.7197 0.742114 -39.5595 0.742157 -24.8812 GPRESSAVG: 785800 16.8161 -11.7506 -38.519 -9.82587 -12.4414 0.0432463 -36.4098 -0.391722 -26.2099 TIMING: 785800 CPU: 2282.46, 0.00288651/step Wall: 2282.46, 0.00288651/step, 3.37898 hours remaining, 204.832031 MB of memory in use. ENERGY: 785800 712.3416 2103.3100 1986.2277 124.5421 -206418.5180 17856.0328 0.0000 0.0000 34403.6008 -149232.4630 300.4552 -183636.0638 -149133.1621 298.8807 -18.0753 12.1311 555967.0790 -7.0247 -7.2784 PRESSURE: 786000 56.1206 268.531 -61.3497 268.53 213.743 -2.69015 -61.3499 -2.68839 13.8695 GPRESSURE: 786000 104.811 228.338 -93.1285 244.94 259.428 -36.45 -56.4471 -2.80814 21.1854 PRESSAVG: 786000 41.8483 115.083 0.324492 115.083 -10.6783 14.1524 0.324419 14.1523 6.69172 GPRESSAVG: 786000 42.3629 115.755 0.235783 115.028 -12.0852 14.1492 -3.15506 13.8742 7.51601 TIMING: 786000 CPU: 2283.03, 0.00288008/step Wall: 2283.03, 0.00288008/step, 3.3713 hours remaining, 204.890625 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: 786000 750.2002 2104.7188 1966.4165 116.3951 -206503.3344 17990.8465 0.0000 0.0000 34337.6387 -149237.1186 299.8791 -183574.7574 -149138.8987 300.0661 94.5779 128.4749 557471.1678 12.6206 12.5979 PRESSURE: 786200 247.469 85.3073 127.662 85.3076 112.017 -81.9931 127.662 -81.9936 151.729 GPRESSURE: 786200 288.159 40.5571 -0.57635 48.5662 141.337 -146.176 207.697 -23.4027 177.619 PRESSAVG: 786200 58.0268 88.1429 29.8228 88.1429 -62.1043 6.57696 29.8227 6.57696 12.3156 GPRESSAVG: 786200 56.8894 86.8388 29.992 87.1631 -62.129 6.38186 31.3503 7.76036 13.4002 TIMING: 786200 CPU: 2283.61, 0.0029043/step Wall: 2283.61, 0.0029043/step, 3.39949 hours remaining, 204.890625 MB of memory in use. ENERGY: 786200 748.6622 2123.6000 1975.7830 103.7183 -206725.1240 18087.7812 0.0000 0.0000 34305.8963 -149379.6831 299.6019 -183685.5793 -149280.6079 298.8448 170.4051 202.3717 557157.0396 2.7460 2.7202 PRESSURE: 786400 -161.78 31.1284 72.3153 31.1289 -15.8048 121.313 72.3152 121.312 -62.7502 GPRESSURE: 786400 -138.596 -26.5894 49.0379 97.4744 -1.12162 234.763 146.214 55.3679 -14.3407 PRESSAVG: 786400 -39.7223 8.38472 -3.99751 8.38472 -2.18506 36.3885 -3.99757 36.3885 21.8427 GPRESSAVG: 786400 -40.3141 9.23989 -6.42024 10.2295 -1.11059 35.7911 -3.70401 33.489 21.3133 TIMING: 786400 CPU: 2284.19, 0.00289806/step Wall: 2284.19, 0.00289806/step, 3.39202 hours remaining, 204.890625 MB of memory in use. ENERGY: 786400 757.6237 2119.9825 1977.9431 108.2194 -206255.1384 17724.7732 0.0000 0.0000 34342.9089 -149223.6874 299.9252 -183566.5964 -149126.2839 297.8677 -80.1115 -51.3527 558074.7565 -6.6882 -6.7038 PRESSURE: 786600 -120.516 -75.9573 78.1016 -75.9563 -163.003 -170.717 78.101 -170.719 -130.226 GPRESSURE: 786600 -71.2239 -60.8556 149.097 -54.6765 -131.741 -284.773 29.5912 -159.925 -104.523 PRESSAVG: 786600 4.30981 27.1899 -11.0235 27.1899 -41.4855 1.57299 -11.0235 1.57313 5.95293 GPRESSAVG: 786600 5.18885 27.6202 -7.65381 24.9308 -41.5464 2.84583 -12.2697 3.9736 5.37839 TIMING: 786600 CPU: 2284.78, 0.00292442/step Wall: 2284.78, 0.00292442/step, 3.42271 hours remaining, 204.890625 MB of memory in use. ENERGY: 786600 735.0067 2097.1145 1995.5028 109.1788 -206136.8750 17702.9512 0.0000 0.0000 34189.7342 -149307.3868 298.5875 -183497.1210 -149213.6078 299.1466 -137.9149 -102.4958 557816.4216 -10.4076 -10.3264 PRESSURE: 786800 44.0082 18.8035 8.77606 18.8026 -158.498 121.169 8.77655 121.17 60.4888 GPRESSURE: 786800 87.5988 9.84809 12.2429 36.7213 -131.936 141.584 -5.62983 44.5978 96.5405 PRESSAVG: 786800 42.157 -4.49771 2.77961 -4.49761 -20.314 14.5395 2.77964 14.5396 31.3631 GPRESSAVG: 786800 42.1754 -3.61454 1.86954 -3.89091 -20.6355 13.3105 4.14679 13.6276 31.9276 TIMING: 786800 CPU: 2285.36, 0.00293317/step Wall: 2285.36, 0.00293317/step, 3.43278 hours remaining, 204.890625 MB of memory in use. ENERGY: 786800 732.7101 2094.0676 1982.1592 119.0370 -206275.9721 17817.7321 0.0000 0.0000 34071.4272 -149458.8389 297.5542 -183530.2660 -149366.4922 299.3040 -18.0002 17.4011 557742.5665 17.7353 17.8225 PRESSURE: 787000 201.471 12.3348 146.083 12.3347 -144.259 45.395 146.083 45.395 -124.739 GPRESSURE: 787000 186.622 124.498 102.295 -11.4538 -136.823 60.9696 124.519 33.7114 -22.0923 PRESSAVG: 787000 44.3167 -3.28667 24.4131 -3.28673 -53.5236 27.1647 24.4131 27.1647 34.7037 GPRESSAVG: 787000 43.9726 -4.15993 22.5725 -3.27074 -52.3624 28.6129 23.4302 25.1881 34.3444 TIMING: 787000 CPU: 2285.94, 0.00288575/step Wall: 2285.94, 0.00288575/step, 3.37713 hours remaining, 204.890625 MB of memory in use. ENERGY: 787000 763.8768 2130.0689 1956.3287 113.4947 -206871.5513 18044.6812 0.0000 0.0000 34331.4057 -149531.6954 299.8247 -183863.1011 -149431.8691 298.4400 -22.5090 9.2355 557246.5293 8.4989 8.6515 PRESSURE: 787200 -243.367 -94.8103 -11.6338 -94.8118 -305.636 -166.869 -11.6348 -166.868 -185.762 GPRESSURE: 787200 -255.615 -79.3147 -14.454 -89.6004 -241.542 -168.486 -24.4001 -94.3431 -125.064 PRESSAVG: 787200 40.4233 16.9451 11.8547 16.945 -77.5073 -34.2171 11.8547 -34.2171 12.6431 GPRESSAVG: 787200 41.6427 18.6246 11.9631 14.9539 -79.2267 -34.4806 12.4606 -33.4936 13.2198 TIMING: 787200 CPU: 2286.52, 0.00288676/step Wall: 2286.52, 0.00288676/step, 3.37815 hours remaining, 204.890625 MB of memory in use. ENERGY: 787200 744.1851 2077.5045 1994.4051 115.0013 -206073.8303 17542.1683 0.0000 0.0000 34133.0358 -149467.5302 298.0923 -183600.5660 -149370.9745 297.9438 -244.9216 -207.4071 558757.5932 -8.1470 -8.1214 PRESSURE: 787400 -157.241 -47.4771 -3.74849 -47.4777 -155.976 30.1071 -3.74955 30.1063 -299.879 GPRESSURE: 787400 -120.71 -19.1538 -29.9681 -8.95961 -138.426 -23.1779 85.3425 84.3505 -250.163 PRESSAVG: 787400 -51.1646 18.5128 1.21734 18.5128 -7.20721 -70.6849 1.21733 -70.6848 62.7782 GPRESSAVG: 787400 -51.5109 18.7036 1.06535 20.0731 -6.7704 -71.1393 1.25737 -70.9882 62.5327 TIMING: 787400 CPU: 2287.1, 0.00289666/step Wall: 2287.1, 0.00289666/step, 3.38957 hours remaining, 204.890625 MB of memory in use. ENERGY: 787400 726.8835 2073.4236 1992.9961 114.8013 -205916.7241 17558.3851 0.0000 0.0000 34154.0599 -149296.1746 298.2759 -183450.2344 -149193.8226 298.9537 -204.3653 -169.7663 558725.5203 1.4688 1.4172 PRESSURE: 787600 247.667 -142.491 175.852 -142.49 226.283 142.242 175.853 142.242 108.157 GPRESSURE: 787600 293.644 -91.0814 118.992 -163.398 255.09 175.626 196.37 72.0059 124.454 PRESSAVG: 787600 56.048 38.7715 -2.33066 38.7715 -30.963 -113.159 -2.33068 -113.159 -27.7767 GPRESSAVG: 787600 55.6507 37.0372 -0.0918509 38.8099 -29.7295 -114.522 -3.30392 -110.931 -28.4708 TIMING: 787600 CPU: 2287.68, 0.0028914/step Wall: 2287.68, 0.0028914/step, 3.38326 hours remaining, 204.890625 MB of memory in use. ENERGY: 787600 774.5812 2088.5477 1970.5836 101.8173 -206610.3227 18038.6406 0.0000 0.0000 34208.1845 -149427.9679 298.7486 -183636.1524 -149328.7451 298.4211 194.0356 224.3959 556778.9738 -0.8972 -0.8498 PRESSURE: 787800 -152.225 -38.6252 21.0429 -38.624 -145.685 52.0132 21.0427 52.0134 -187.2 GPRESSURE: 787800 -96.2619 -12.3515 -30.1392 -70.3255 -110.019 32.32 17.6391 -26.9331 -176.497 PRESSAVG: 787800 -22.9282 -16.2383 -8.8375 -16.2383 -12.3259 3.7511 -8.83738 3.7511 7.81147 GPRESSAVG: 787800 -23.8723 -17.2258 -10.3765 -15.8129 -12.6978 5.83081 -7.91195 2.60948 8.87624 TIMING: 787800 CPU: 2288.25, 0.00289474/step Wall: 2288.25, 0.00289474/step, 3.387 hours remaining, 204.890625 MB of memory in use. ENERGY: 787800 749.6589 2131.9149 1977.1387 116.2951 -206129.5012 17689.6692 0.0000 0.0000 33990.8807 -149473.9437 296.8508 -183464.8244 -149381.5472 298.2618 -161.7037 -127.5928 558516.7190 -9.1475 -9.2313 PRESSURE: 788000 41.2785 107.903 42.5712 107.902 112.266 138.578 42.571 138.579 -74.0973 GPRESSURE: 788000 67.9512 23.9188 76.2256 145.241 139.092 118.001 -76.6106 143.387 -32.0923 PRESSAVG: 788000 -21.0312 15.905 -14.9211 15.905 -0.804328 -3.7697 -14.9211 -3.76972 21.7176 GPRESSAVG: 788000 -19.9026 17.3861 -13.6156 16.4416 -1.34881 -2.77374 -15.6334 -4.47302 21.2893 TIMING: 788000 CPU: 2288.83, 0.00287581/step Wall: 2288.83, 0.00287581/step, 3.36469 hours remaining, 204.890625 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: 788000 744.7737 2138.6238 1942.1573 107.7422 -206629.0222 17970.4483 0.0000 0.0000 34406.6982 -149318.5788 300.4823 -183725.2770 -149219.5602 298.5355 26.4824 58.3170 556578.1557 -0.0393 0.0127 PRESSURE: 788200 281.23 72.6303 82.6787 72.632 342.97 36.6406 82.6793 36.6411 -13.9261 GPRESSURE: 788200 305.355 20.9512 87.6519 35.723 370.205 25.5562 92.7273 42.197 32.2014 PRESSAVG: 788200 -28.0037 32.4851 20.9723 32.485 22.3122 26.759 20.9722 26.7589 34.5263 GPRESSAVG: 788200 -27.8988 32.4078 20.2249 30.7247 22.5419 25.4017 21.4169 26.7501 34.1024 TIMING: 788200 CPU: 2289.41, 0.00287966/step Wall: 2289.41, 0.00287966/step, 3.36904 hours remaining, 204.890625 MB of memory in use. ENERGY: 788200 757.0081 2165.0682 1980.3920 126.7002 -206830.5018 18325.2161 0.0000 0.0000 34174.5350 -149301.5822 298.4547 -183476.1172 -149203.2713 299.1354 203.4245 235.9203 556844.0442 9.6116 9.5818 LDB: ============= START OF LOAD BALANCING ============== 2292.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2292.87 LDB: =============== DONE WITH MIGRATION ================ 2292.87 LDB: ============= START OF LOAD BALANCING ============== 2293.17 LDB: Largest compute 4827 load 0.029832 is 25.4% of average load 0.117553 LDB: Average compute 0.001733 is 1.5% of average load 0.117553 LDB: TIME 2293.17 LOAD: AVG 0.117553 MAX 0.174594 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.266 MB LDB: TIME 2293.17 LOAD: AVG 0.117553 MAX 0.174594 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.328 MB LDB: TIME 2293.17 LOAD: AVG 0.117553 MAX 0.174594 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.328 MB LDB: ============== END OF LOAD BALANCING =============== 2293.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2293.17 PRESSURE: 788400 -20.7962 -41.4369 -152.483 -41.4353 -162.327 -91.9956 -152.484 -91.9954 -159.754 GPRESSURE: 788400 6.12667 15.5413 -231.291 -47.4918 -145.79 -92.6602 -97.8767 -80.7638 -104.575 PRESSAVG: 788400 -35.8415 0.515765 -15.787 0.515788 0.915796 -7.15831 -15.787 -7.1584 -46.5494 GPRESSAVG: 788400 -35.4797 0.40572 -14.9489 -0.12187 0.648315 -6.281 -16.9397 -5.90227 -46.8771 TIMING: 788400 CPU: 2290, 0.00296665/step Wall: 2290, 0.00296665/step, 3.47065 hours remaining, 204.476562 MB of memory in use. ENERGY: 788400 752.3689 2175.9982 1936.0169 122.2528 -206175.5956 17679.1367 0.0000 0.0000 34016.3644 -149493.4577 297.0734 -183509.8221 -149394.6366 298.5608 -114.2925 -81.4126 558223.5796 -27.1584 -27.2362 PRESSURE: 788600 -88.2803 88.7411 131.977 88.7414 67.1666 -146.302 131.976 -146.301 124.039 GPRESSURE: 788600 -25.9798 71.7718 180.239 118.759 77.8517 -167.734 168.85 -105.307 154.203 PRESSAVG: 788600 -11.434 70.4404 44.7183 70.4404 -12.8509 7.86926 44.7183 7.86932 28.9123 GPRESSAVG: 788600 -12.5177 70.1085 43.1539 70.9053 -12.853 5.71268 46.518 8.38867 29.5369 TIMING: 788600 CPU: 2290.58, 0.00288498/step Wall: 2290.58, 0.00288498/step, 3.37494 hours remaining, 204.476562 MB of memory in use. ENERGY: 788600 759.9964 2112.4612 1935.5750 112.2646 -206810.9717 18072.1111 0.0000 0.0000 34447.7412 -149370.8221 300.8407 -183818.5634 -149277.6548 298.3928 34.3086 68.6916 557597.5728 1.5425 1.3887 PRESSURE: 788800 -89.5787 -58.0365 -113.679 -58.0381 -271.631 -153.35 -113.679 -153.349 -104.714 GPRESSURE: 788800 -47.4789 -33.89 -95.2476 -135.281 -261.204 -112.413 -99.5614 -219.969 -71.4191 PRESSAVG: 788800 -22.694 48.1105 6.98882 48.1104 -29.2428 20.4603 6.98875 20.4603 31.3934 GPRESSAVG: 788800 -23.6523 49.1883 7.12185 48.8116 -27.7623 20.3802 7.30716 18.9205 29.9469 TIMING: 788800 CPU: 2291.15, 0.00288068/step Wall: 2291.15, 0.00288068/step, 3.36976 hours remaining, 204.476562 MB of memory in use. ENERGY: 788800 776.6368 2142.9224 1973.0608 127.8463 -206367.9354 17779.1876 0.0000 0.0000 34150.2805 -149418.0009 298.2429 -183568.2814 -149324.7764 298.5039 -155.3080 -126.7007 558186.4643 -6.8478 -7.1559 PRESSURE: 789000 -10.3585 -228.653 -59.439 -228.653 145.336 -61.8394 -59.4379 -61.8406 -90.5995 GPRESSURE: 789000 21.2393 -188.471 -53.4145 -170.799 174.224 -56.9286 -79.4548 -50.5007 -64.7296 PRESSAVG: 789000 31.9183 6.72131 29.2661 6.72138 3.42145 -47.5122 29.2663 -47.5123 -46.5298 GPRESSAVG: 789000 32.9831 5.32813 29.4018 6.76544 1.7178 -46.964 28.944 -46.7533 -46.3532 TIMING: 789000 CPU: 2291.73, 0.00287789/step Wall: 2291.73, 0.00287789/step, 3.36633 hours remaining, 204.476562 MB of memory in use. ENERGY: 789000 761.3538 2067.1643 1950.0830 99.7964 -206633.5905 17837.7331 0.0000 0.0000 34206.2681 -149711.1919 298.7318 -183917.4599 -149622.1416 297.7704 14.7925 43.5780 557394.7074 -3.7300 -3.8841 PRESSURE: 789200 5.74134 -157.732 40.1376 -157.733 16.3202 119.956 40.1362 119.956 -62.329 GPRESSURE: 789200 26.6118 -179.67 8.19394 -105.13 54.1778 126.018 135.182 168.462 -36.7699 PRESSAVG: 789200 14.4638 39.3889 17.6588 39.389 -3.27161 14.2625 17.6588 14.2625 40.8566 GPRESSAVG: 789200 14.3576 40.731 18.2881 37.7174 -3.56592 14.2078 18.5613 15.0028 41.0192 TIMING: 789200 CPU: 2292.3, 0.00287673/step Wall: 2292.3, 0.00287673/step, 3.36481 hours remaining, 204.476562 MB of memory in use. ENERGY: 789200 743.9561 2139.2686 1975.2098 131.0698 -206586.1658 17752.2792 0.0000 0.0000 34173.2560 -149671.1264 298.4435 -183844.3824 -149579.6055 297.8778 -13.4225 14.6732 556370.5775 17.3496 17.2703 PRESSURE: 789400 -95.651 -6.7578 -8.29099 -6.75669 -57.5165 -199.97 -8.29081 -199.969 3.64084 GPRESSURE: 789400 -112.627 -111.642 -85.8648 -5.21741 34.1477 -154.651 64.5989 -247.544 27.9692 PRESSAVG: 789400 22.8776 -49.97 -22.0327 -49.97 -22.8904 9.41384 -22.0328 9.4139 -2.41785 GPRESSAVG: 789400 21.7278 -52.0999 -22.6483 -46.5952 -22.2488 9.98993 -22.2233 6.43936 -2.22611 TIMING: 789400 CPU: 2292.88, 0.00290087/step Wall: 2292.88, 0.00290087/step, 3.39289 hours remaining, 204.476562 MB of memory in use. ENERGY: 789400 730.2674 2049.0486 1975.2450 101.5925 -206735.6943 17993.5631 0.0000 0.0000 34179.0294 -149706.9483 298.4940 -183885.9777 -149604.2328 297.9413 -49.8422 -16.8366 557101.5254 -0.8102 -0.9157 PRESSURE: 789600 -162.942 -43.0994 -215.78 -43.0998 43.1871 -76.1756 -215.78 -76.1765 -90.0743 GPRESSURE: 789600 -84.6788 -0.0307072 -161.97 -129.445 20.9149 -51.6923 -228.897 -114.635 -39.1659 PRESSAVG: 789600 2.33267 20.2827 -32.1721 20.2829 10.5533 32.7934 -32.1721 32.7934 -13.46 GPRESSAVG: 789600 2.97638 20.8184 -31.527 18.6474 10.0223 33.309 -32.1322 32.8713 -13.9158 TIMING: 789600 CPU: 2293.46, 0.00289167/step Wall: 2293.46, 0.00289167/step, 3.38196 hours remaining, 204.476562 MB of memory in use. ENERGY: 789600 759.7804 2094.5319 1973.8656 107.2136 -206758.7133 17787.1333 0.0000 0.0000 34176.8732 -149859.3153 298.4751 -184036.1885 -149768.2513 297.4617 -69.9432 -34.3099 554819.9325 -0.1914 -0.3057 PRESSURE: 789800 18.1801 97.0442 -76.1292 97.0429 -21.7983 -133.718 -76.129 -133.716 -62.5755 GPRESSURE: 789800 34.5082 -4.10493 -144.799 112.195 13.5991 -97.199 -12.2841 -138.939 -34.4455 PRESSAVG: 789800 31.8431 -67.7176 -65.1131 -67.7177 2.75263 7.41255 -65.113 7.41262 3.99034 GPRESSAVG: 789800 31.3305 -66.8425 -65.597 -68.773 2.44376 8.40709 -65.5733 7.2198 4.73487 TIMING: 789800 CPU: 2294.04, 0.00289219/step Wall: 2294.04, 0.00289219/step, 3.38242 hours remaining, 204.582031 MB of memory in use. ENERGY: 789800 746.6627 2040.9076 1965.5553 110.9308 -206634.1196 17796.8171 0.0000 0.0000 34221.7441 -149751.5020 298.8670 -183973.2461 -149657.4272 297.2083 -22.0646 4.5539 556956.1945 12.8620 12.8364 PRESSURE: 790000 272.083 -91.0413 -66.0579 -91.0411 -54.1198 25.2346 -66.0559 25.2339 131.478 GPRESSURE: 790000 330.597 -23.6168 20.6939 -136.826 -16.3687 10.6611 -124.85 37.8886 130.326 PRESSAVG: 790000 -4.82735 -26.7668 53.16 -26.7668 -35.9668 33.9047 53.16 33.9045 38.2455 GPRESSAVG: 790000 -3.72517 -27.7317 54.5383 -26.4467 -35.9178 32.2356 50.9759 35.5108 36.3451 TIMING: 790000 CPU: 2294.61, 0.00286432/step Wall: 2294.61, 0.00286432/step, 3.34966 hours remaining, 204.582031 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: 790000 755.4827 2126.2537 1986.1478 116.3607 -206977.7336 18190.6919 0.0000 0.0000 34093.4772 -149709.3195 297.7468 -183802.7967 -149614.2179 297.6847 116.4804 148.1848 557146.0653 -0.8495 -1.0993 PRESSURE: 790200 -127.271 -63.8905 -57.9876 -63.8916 34.7386 29.939 -57.9875 29.9374 -109.545 GPRESSURE: 790200 -123.141 -126.963 -47.8361 -31.4196 9.8115 72.6942 -34.2959 -74.9632 8.53112 PRESSAVG: 790200 -5.98649 11.1605 28.3166 11.1605 2.97691 -22.9251 28.3167 -22.925 15.3804 GPRESSAVG: 790200 -7.2608 11.0127 27.2868 12.9543 2.39066 -21.057 32.6646 -26.673 17.8871 TIMING: 790200 CPU: 2295.19, 0.0028874/step Wall: 2295.19, 0.0028874/step, 3.37649 hours remaining, 204.582031 MB of memory in use. ENERGY: 790200 765.7847 2070.6245 1950.1462 122.3798 -206385.8629 17786.4620 0.0000 0.0000 34204.4438 -149486.0219 298.7159 -183690.4657 -149386.6946 298.1505 -67.3590 -34.9328 557885.0989 4.1236 4.3390 PRESSURE: 790400 -315.514 -22.5433 119.359 -22.5418 137.019 42.0791 119.359 42.0804 108.215 GPRESSURE: 790400 -315.239 -66.3624 51.85 40.7783 173.168 107.257 159.472 -18.5478 158.028 PRESSAVG: 790400 13.6184 -12.4248 60.5933 -12.4248 -14.4228 -54.773 60.5933 -54.773 14.4227 GPRESSAVG: 790400 14.2289 -10.9365 60.2944 -15.3404 -13.5363 -55.4205 58.9275 -52.9047 13.2644 TIMING: 790400 CPU: 2295.77, 0.00288902/step Wall: 2295.77, 0.00288902/step, 3.37823 hours remaining, 204.582031 MB of memory in use. ENERGY: 790400 711.9889 2136.8395 1974.0146 128.1690 -206452.7026 17835.2358 0.0000 0.0000 34148.0068 -149518.4481 298.2230 -183666.4548 -149431.1616 298.5983 -23.4267 5.3192 557646.4233 4.5394 4.6523 PRESSURE: 790600 -167.377 123.297 -39.6702 123.296 -218.31 35.0212 -39.6692 35.0212 -207.715 GPRESSURE: 790600 -177.125 103.521 -13.3016 32.1421 -159.464 65.4499 3.50566 69.3651 -165.456 PRESSAVG: 790600 1.53499 37.6291 21.5133 37.6291 9.24386 -27.1639 21.5134 -27.1638 -4.01479 GPRESSAVG: 790600 0.713394 35.7255 21.8767 39.3371 10.5235 -27.349 20.9262 -27.0009 -4.79214 TIMING: 790600 CPU: 2296.35, 0.00289963/step Wall: 2296.35, 0.00289963/step, 3.39047 hours remaining, 204.582031 MB of memory in use. ENERGY: 790600 781.5338 2113.3473 1989.6012 114.5451 -206173.6235 17645.7615 0.0000 0.0000 34249.0271 -149279.8075 299.1053 -183528.8346 -149177.6180 298.9228 -197.8006 -167.3482 557489.4313 2.2547 2.1482 PRESSURE: 790800 -38.1898 -146.925 103.62 -146.925 -125.204 51.2064 103.619 51.2064 -370.675 GPRESSURE: 790800 -18.5168 -123.539 115.895 -186.118 -134.845 82.7583 125.265 32.5418 -289.439 PRESSAVG: 790800 21.9821 -6.23283 -28.0409 -6.23279 62.9996 -14.6597 -28.0409 -14.6598 -74.4514 GPRESSAVG: 790800 21.8351 -4.60564 -28.2361 -6.4036 61.858 -12.9514 -27.8564 -14.4324 -73.6185 TIMING: 790800 CPU: 2296.92, 0.0028661/step Wall: 2296.92, 0.0028661/step, 3.35111 hours remaining, 204.582031 MB of memory in use. ENERGY: 790800 782.7135 2105.1155 1963.2396 117.6262 -206523.3041 17713.7762 0.0000 0.0000 34378.6428 -149462.1903 300.2372 -183840.8331 -149363.6402 298.3120 -178.0227 -147.6004 557033.3220 3.5101 3.3582 PRESSURE: 791000 88.7164 7.54429 40.292 7.54345 228.805 -57.1357 40.2914 -57.1365 -14.6585 GPRESSURE: 791000 110.482 -16.5085 -10.4867 -74.0831 232.858 -33.9932 13.6154 -24.8986 73.5923 PRESSAVG: 791000 -31.6969 -45.665 42.1846 -45.665 46.6767 2.78619 42.1846 2.7863 -41.4586 GPRESSAVG: 791000 -32.0957 -46.0716 41.0986 -44.1561 46.4861 1.7489 42.7418 2.68281 -39.972 TIMING: 791000 CPU: 2297.5, 0.00289601/step Wall: 2297.5, 0.00289601/step, 3.38592 hours remaining, 204.582031 MB of memory in use. ENERGY: 791000 780.6009 2135.7553 1963.8793 115.3474 -206441.4186 18058.4000 0.0000 0.0000 34098.3741 -149289.0615 297.7896 -183387.4356 -149196.4561 298.6083 100.9542 138.9776 556738.6022 -8.8263 -8.5272 PRESSURE: 791200 -279.12 89.0942 -185.136 89.0955 77.1634 -44.7882 -185.136 -44.7891 39.2511 GPRESSURE: 791200 -266.241 25.1019 -134.503 127.81 114.203 -48.2917 -160.793 -106.141 85.9627 PRESSAVG: 791200 -31.9797 57.022 -48.8519 57.0219 -25.736 -2.93591 -48.8519 -2.93584 42.6772 GPRESSAVG: 791200 -31.6988 57.1636 -47.3888 55.7109 -25.7962 -2.03587 -48.4332 -3.15339 42.5894 TIMING: 791200 CPU: 2298.08, 0.00289174/step Wall: 2298.08, 0.00289174/step, 3.38077 hours remaining, 204.582031 MB of memory in use. ENERGY: 791200 733.9722 2099.9762 1990.8402 124.6799 -206509.2355 17839.7777 0.0000 0.0000 34435.0173 -149284.9719 300.7296 -183719.9892 -149188.5446 298.4947 -54.2352 -22.0252 557026.0495 -5.0128 -4.9685 PRESSURE: 791400 120.136 89.1858 -36.552 89.1865 -69.6023 78.0692 -36.5521 78.0689 -0.25133 GPRESSURE: 791400 163.08 76.5917 -6.62113 87.4275 -38.3087 62.2644 -49.4347 95.9365 18.8149 PRESSAVG: 791400 -33.9659 8.33389 -0.117731 8.33398 57.0252 -5.19181 -0.117713 -5.19186 45.6953 GPRESSAVG: 791400 -34.778 7.81226 0.646169 8.63197 59.1933 -5.61015 -2.09643 -5.96316 44.6749 TIMING: 791400 CPU: 2298.66, 0.00289542/step Wall: 2298.66, 0.00289542/step, 3.38491 hours remaining, 204.582031 MB of memory in use. ENERGY: 791400 747.7900 2131.3299 2002.9443 119.4023 -206179.1638 17930.4181 0.0000 0.0000 34019.9197 -149227.3596 297.1044 -183247.2792 -149135.5751 299.0752 16.7609 47.8621 558178.2932 22.9182 23.0301 PRESSURE: 791600 -279.376 -89.593 88.6773 -89.5947 -55.8906 123.966 88.6776 123.966 -315.165 GPRESSURE: 791600 -233.796 -65.4805 57.7218 -62.6365 -47.8652 75.5167 134.225 133.91 -286.286 PRESSAVG: 791600 -13.9102 8.34975 -44.8584 8.34965 -10.0972 32.2773 -44.8584 32.2773 25.8193 GPRESSAVG: 791600 -13.5022 9.36723 -44.8822 8.31976 -10.4097 29.8728 -43.5978 35.069 25.9111 TIMING: 791600 CPU: 2299.24, 0.00289106/step Wall: 2299.24, 0.00289106/step, 3.37965 hours remaining, 204.582031 MB of memory in use. ENERGY: 791600 763.7750 2159.0174 1975.8580 115.3366 -206019.2635 17513.7250 0.0000 0.0000 34374.1852 -149117.3662 300.1983 -183491.5514 -149016.8838 299.1342 -216.8107 -189.3156 557749.1131 0.6040 0.6664 PRESSURE: 791800 -279.067 62.1112 -65.6748 62.1128 -243.758 59.8416 -65.6751 59.8417 -85.2819 GPRESSURE: 791800 -253.5 42.3872 -5.10878 69.4049 -142.072 73.6722 -70.1952 45.5129 -101.413 PRESSAVG: 791800 -83.9258 -10.3469 -7.06041 -10.3469 70.0377 -46.556 -7.06033 -46.556 58.0338 GPRESSAVG: 791800 -83.9315 -10.7404 -7.31162 -10.7116 70.4823 -43.4721 -7.08751 -49.8427 57.7035 TIMING: 791800 CPU: 2299.82, 0.00290591/step Wall: 2299.82, 0.00290591/step, 3.39685 hours remaining, 204.582031 MB of memory in use. ENERGY: 791800 750.8556 2094.0600 1982.0342 124.2003 -206077.9154 17611.7840 0.0000 0.0000 34328.2695 -149186.7118 299.7973 -183514.9813 -149078.5055 299.9318 -202.7021 -165.6615 557325.8772 14.7152 14.7514 PRESSURE: 792000 -381.513 27.8305 62.3227 27.8302 -255.625 -55.7857 62.3224 -55.7838 -127.346 GPRESSURE: 792000 -342.665 13.07 127.432 4.0745 -169.811 -48.5657 64.4921 -68.2493 -147.209 PRESSAVG: 792000 -72.3638 -25.1855 -13.1746 -25.1856 25.8713 -2.07148 -13.1745 -2.07144 77.4704 GPRESSAVG: 792000 -72.5272 -25.5855 -15.9409 -25.557 25.5139 -4.61006 -13.7698 0.196769 77.5267 TIMING: 792000 CPU: 2300.4, 0.0029131/step Wall: 2300.4, 0.0029131/step, 3.4051 hours remaining, 204.582031 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: 792000 806.0908 2064.3257 1995.8140 119.8414 -206068.0496 17668.6704 0.0000 0.0000 34414.7346 -148998.5726 300.5524 -183413.3073 -148902.5299 299.1919 -254.8279 -219.8948 558031.8615 10.3260 10.1711 PRESSURE: 792200 -194.257 -33.406 -305.531 -33.4073 42.8608 16.2899 -305.531 16.2913 -31.9391 GPRESSURE: 792200 -129.804 59.9184 -216.411 8.09904 31.2552 46.9064 -253.823 56.243 8.32739 PRESSAVG: 792200 -22.1411 -60.3751 -24.5818 -60.375 47.3625 -1.20864 -24.5817 -1.20864 -22.8063 GPRESSAVG: 792200 -21.8149 -59.5984 -22.6396 -61.4799 45.9163 -1.19089 -24.4595 -0.954255 -20.9476 TIMING: 792200 CPU: 2300.98, 0.00290087/step Wall: 2300.98, 0.00290087/step, 3.39063 hours remaining, 204.640625 MB of memory in use. ENERGY: 792200 730.7320 2132.3859 1973.0665 113.3132 -206104.6115 17735.0698 0.0000 0.0000 34403.2971 -149016.7471 300.4526 -183420.0442 -148918.5336 299.7802 -61.1117 -30.0739 557290.6158 0.8050 1.0512 LDB: ============= START OF LOAD BALANCING ============== 2304.45 LDB: ============== END OF LOAD BALANCING =============== 2304.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2304.45 LDB: ============= START OF LOAD BALANCING ============== 2304.74 LDB: Largest compute 4827 load 0.029068 is 24.7% of average load 0.117616 LDB: Average compute 0.001732 is 1.5% of average load 0.117616 LDB: TIME 2304.74 LOAD: AVG 0.117616 MAX 0.179129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.09 MB LDB: TIME 2304.74 LOAD: AVG 0.117616 MAX 0.179129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: TIME 2304.74 LOAD: AVG 0.117616 MAX 0.179129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2304.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2304.75 PRESSURE: 792400 229.916 -250.521 -164.504 -250.521 218.792 194.659 -164.503 194.658 -156.45 GPRESSURE: 792400 259.085 -308.284 -85.5189 -255.909 225.674 240.063 -172.989 212.7 -97.6746 PRESSAVG: 792400 1.68728 -37.5314 -54.8328 -37.5313 11.5262 -10.4191 -54.8329 -10.4191 -12.7185 GPRESSAVG: 792400 -0.544765 -36.2614 -54.368 -36.7109 12.7931 -8.96765 -54.4262 -11.1597 -12.3998 TIMING: 792400 CPU: 2301.57, 0.00295318/step Wall: 2301.57, 0.00295319/step, 3.45162 hours remaining, 204.835938 MB of memory in use. ENERGY: 792400 726.1129 2153.7303 1971.3187 110.3180 -206737.8560 18037.0134 0.0000 0.0000 34563.8282 -149175.5345 301.8545 -183739.3627 -149080.9192 300.3570 97.4193 129.0279 555147.1683 0.1650 -0.0505 PRESSURE: 792600 226.104 41.3539 36.0331 41.3535 -119.458 -79.6529 36.0347 -79.6539 -225.932 GPRESSURE: 792600 158.179 31.39 59.4958 32.8968 -41.601 -138.754 35.4495 -55.0252 -158.372 PRESSAVG: 792600 3.88356 -56.6693 -30.9834 -56.6692 31.3875 43.125 -30.9835 43.1251 -105.163 GPRESSAVG: 792600 5.39492 -57.7804 -32.0358 -54.4564 30.9924 42.0822 -31.8259 43.0448 -106.57 TIMING: 792600 CPU: 2302.15, 0.00288714/step Wall: 2302.15, 0.00288714/step, 3.37427 hours remaining, 204.835938 MB of memory in use. ENERGY: 792600 757.1039 2148.9087 1975.3780 118.4744 -205982.8872 17476.3882 0.0000 0.0000 34232.5207 -149274.1134 298.9611 -183506.6341 -149180.6558 299.8902 -39.7618 -13.9314 556470.6064 -23.2973 -23.3942 PRESSURE: 792800 -72.4045 -106.968 -234.714 -106.969 -98.0603 28.2792 -234.715 28.2778 -260.708 GPRESSURE: 792800 -59.6912 -66.0831 -210.455 -108.891 -24.1531 -34.3233 -182.943 54.6949 -247.04 PRESSAVG: 792800 9.84327 -13.4802 -76.8977 -13.4802 33.564 -9.21905 -76.8977 -9.21902 -81.1184 GPRESSAVG: 792800 10.0927 -12.9227 -77.1685 -13.2033 32.1227 -8.27221 -75.7936 -8.04883 -80.0471 TIMING: 792800 CPU: 2302.73, 0.00292328/step Wall: 2302.73, 0.00292328/step, 3.41634 hours remaining, 204.960938 MB of memory in use. ENERGY: 792800 729.3046 2137.7813 1976.5594 95.3672 -206271.1210 17724.7291 0.0000 0.0000 34456.9640 -149150.4154 300.9212 -183607.3794 -149048.8732 299.1198 -143.7243 -110.2947 557781.2464 -12.5704 -12.6105 PRESSURE: 793000 -396.794 -121.178 -35.9151 -121.178 -352.259 -27.5967 -35.9155 -27.5961 -170.134 GPRESSURE: 793000 -373.392 -98.5639 -54.6518 -119.592 -361.352 -4.27583 -44.7502 -99.0644 -101.729 PRESSAVG: 793000 12.0639 -20.4769 -20.2964 -20.4769 18.1903 8.72814 -20.2964 8.7279 -51.8659 GPRESSAVG: 793000 12.5088 -20.1749 -18.7147 -23.8783 19.456 8.55024 -22.8066 7.29863 -53.6806 TIMING: 793000 CPU: 2303.31, 0.00290123/step Wall: 2303.31, 0.00290123/step, 3.39041 hours remaining, 204.960938 MB of memory in use. ENERGY: 793000 807.6589 2184.6402 1942.9256 117.5658 -206092.9385 17402.6818 0.0000 0.0000 34293.4566 -149344.0096 299.4933 -183637.4662 -149250.8306 299.8624 -306.3957 -278.8242 557824.9992 -7.2039 -7.2386 PRESSURE: 793200 -133.376 -69.0655 -211.583 -69.0677 -40.4392 -80.167 -211.583 -80.1671 -191.154 GPRESSURE: 793200 -103.391 6.03295 -283.885 -138.069 4.05572 -73.7103 -221.161 -106.969 -176.918 PRESSAVG: 793200 -52.0962 -17.399 -37.1403 -17.399 0.501923 -18.4523 -37.1403 -18.4524 23.0675 GPRESSAVG: 793200 -52.9803 -18.0072 -38.8039 -15.5809 -0.673665 -19.4349 -35.3135 -15.7237 24.3366 TIMING: 793200 CPU: 2303.89, 0.00288549/step Wall: 2303.89, 0.00288549/step, 3.37186 hours remaining, 204.960938 MB of memory in use. ENERGY: 793200 752.3538 2171.2272 1962.6804 120.7436 -205969.7475 17538.4249 0.0000 0.0000 34168.7142 -149255.6035 298.4039 -183424.3176 -149167.5959 299.2014 -121.6563 -92.0844 558118.0927 -9.5089 -9.7725 PRESSURE: 793400 211.72 86.8233 -94.9076 86.8225 -64.0324 189.696 -94.907 189.694 -117.043 GPRESSURE: 793400 230.053 71.8702 -21.9031 104.302 1.31345 183.73 -163.169 164.081 -109.138 PRESSAVG: 793400 -27.4804 -9.08613 -77.0445 -9.08616 35.3326 25.9505 -77.0445 25.9505 -38.3048 GPRESSAVG: 793400 -26.7174 -10.7866 -76.7066 -9.49297 35.519 27.4757 -78.6272 23.5351 -39.5804 TIMING: 793400 CPU: 2304.47, 0.00289471/step Wall: 2304.47, 0.00289471/step, 3.38247 hours remaining, 204.960938 MB of memory in use. ENERGY: 793400 737.1984 2071.6517 1971.8262 120.7150 -206588.5653 17899.0648 0.0000 0.0000 34346.7941 -149441.3151 299.9591 -183788.1092 -149342.8703 299.3785 10.2149 40.7427 556765.9604 -10.1509 -10.2596 PRESSURE: 793600 -75.6478 14.5466 104.747 14.5455 -54.7507 41.8204 104.747 41.8191 -166.347 GPRESSURE: 793600 -15.0167 -17.1559 31.3909 -11.2483 -54.2805 77.571 154.488 50.7112 -130.038 PRESSAVG: 793600 12.4247 -20.7068 -0.165448 -20.7067 -49.7978 -4.87216 -0.165405 -4.87207 -17.3914 GPRESSAVG: 793600 11.6633 -19.6762 1.39861 -20.3966 -49.2736 -5.53046 -0.0122521 -3.78056 -16.8727 TIMING: 793600 CPU: 2305.05, 0.00289549/step Wall: 2305.05, 0.00289549/step, 3.38322 hours remaining, 204.960938 MB of memory in use. ENERGY: 793600 746.9085 2157.1303 1964.8836 112.7883 -206520.2571 17725.7728 0.0000 0.0000 34321.0177 -149491.7559 299.7340 -183812.7736 -149396.1231 298.3077 -98.9153 -66.4451 558644.7865 -18.2549 -18.1610 PRESSURE: 793800 152.509 -207.172 -121.208 -207.173 165.968 -60.5305 -121.209 -60.5321 54.6449 GPRESSURE: 793800 177.799 -167.711 -128.976 -108.794 220.13 -1.89994 -8.99708 -75.1176 62.2843 PRESSAVG: 793800 11.4661 -2.18716 17.6435 -2.18721 71.3763 -9.95741 17.6434 -9.95748 -54.9299 GPRESSAVG: 793800 12.5209 -1.91157 14.797 -0.563444 71.4523 -9.80808 17.8293 -9.85193 -55.6882 TIMING: 793800 CPU: 2305.63, 0.00288901/step Wall: 2305.63, 0.00288901/step, 3.37549 hours remaining, 204.960938 MB of memory in use. ENERGY: 793800 762.4755 2035.5252 1981.6768 123.7665 -207001.6501 18305.2719 0.0000 0.0000 34261.9722 -149530.9620 299.2183 -183792.9342 -149429.3376 298.4338 124.3737 153.4045 557943.9291 9.3042 9.4283 PRESSURE: 794000 -62.8102 -13.3109 -33.0967 -13.3113 140.63 -113.509 -33.0974 -113.51 33.7991 GPRESSURE: 794000 -73.2295 -88.9314 -9.80425 24.1017 210.148 -112.693 -58.706 -21.3585 86.6303 PRESSAVG: 794000 -3.27421 -8.77943 -47.5481 -8.77937 39.7124 -35.8546 -47.5481 -35.8545 -30.7109 GPRESSAVG: 794000 -4.10997 -7.36829 -44.6905 -11.9226 39.7755 -34.4048 -48.5133 -37.2079 -30.1451 TIMING: 794000 CPU: 2306.2, 0.00289377/step Wall: 2306.2, 0.00289377/step, 3.38089 hours remaining, 204.960938 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: 794000 744.6447 2126.3257 1968.9860 117.2425 -206485.0989 18068.2119 0.0000 0.0000 33959.7271 -149499.9609 296.5787 -183459.6880 -149411.1096 297.9677 37.2062 74.5162 557182.2122 1.9091 1.8401 PRESSURE: 794200 -151.27 -10.8896 -133.801 -10.8895 -10.5025 21.6563 -133.802 21.656 -63.2957 GPRESSURE: 794200 -148.473 63.9581 -74.4809 56.8731 13.1892 -0.868258 -161.44 66.7288 -2.95497 PRESSAVG: 794200 17.6543 -6.4174 32.4729 -6.41738 38.2965 -9.37449 32.4728 -9.37447 -42.3466 GPRESSAVG: 794200 17.5118 -7.98393 30.1797 -6.41173 37.7663 -12.2951 34.046 -6.3771 -41.5263 TIMING: 794200 CPU: 2306.79, 0.00290887/step Wall: 2306.79, 0.00290887/step, 3.39837 hours remaining, 204.960938 MB of memory in use. ENERGY: 794200 752.7066 2124.3731 1971.0673 110.2584 -206239.3921 17614.2197 0.0000 0.0000 34216.0162 -149450.7508 298.8170 -183666.7670 -149346.6073 298.3022 -75.0227 -46.0795 556833.2503 4.5347 4.5840 PRESSURE: 794400 -59.9876 -179.613 104.891 -179.612 76.8919 31.2843 104.891 31.2839 -94.4591 GPRESSURE: 794400 -33.0837 -208.724 111.571 -107.134 104.529 123.28 131.658 8.37827 -49.5838 PRESSAVG: 794400 -91.9534 -42.986 3.54399 -42.986 70.5156 56.2802 3.54405 56.2803 -37.4625 GPRESSAVG: 794400 -90.4062 -41.8397 4.55281 -43.8424 70.6505 58.4426 3.76824 55.5955 -38.9868 TIMING: 794400 CPU: 2307.37, 0.00289777/step Wall: 2307.37, 0.00289777/step, 3.38524 hours remaining, 204.960938 MB of memory in use. ENERGY: 794400 733.8217 2064.3034 1998.7317 111.9613 -206572.6691 17882.5464 0.0000 0.0000 34307.9769 -149473.3277 299.6201 -183781.3045 -149376.6443 298.3118 -25.8516 7.2872 557338.4428 -19.6334 -19.5808 PRESSURE: 794600 -168.926 -133.678 132.79 -133.678 132.493 -20.0495 132.79 -20.0498 -236.123 GPRESSURE: 794600 -177.807 -141.253 176.491 -92.0378 198.672 30.3823 103.536 -10.2751 -190.802 PRESSAVG: 794600 -51.5511 -37.7032 -34.2204 -37.7032 32.5061 18.4536 -34.2205 18.4536 16.6894 GPRESSAVG: 794600 -52.697 -39.3106 -33.4813 -37.0032 32.6318 18.5192 -33.9284 18.5235 17.5659 TIMING: 794600 CPU: 2307.95, 0.00290854/step Wall: 2307.95, 0.00290854/step, 3.39766 hours remaining, 204.960938 MB of memory in use. ENERGY: 794600 737.9681 2113.1752 1981.0458 113.5317 -206498.1093 17652.0434 0.0000 0.0000 34441.2146 -149459.1304 300.7837 -183900.3451 -149359.8964 298.6956 -90.8522 -56.6458 556873.0122 -0.7852 -0.8331 PRESSURE: 794800 62.7322 -30.7022 22.892 -30.7032 105.947 8.72316 22.8924 8.72281 -74.918 GPRESSURE: 794800 102.889 -19.0698 26.1048 -33.6793 140.333 -6.34837 24.279 17.1797 -41.8036 PRESSAVG: 794800 1.7387 -14.8299 29.1076 -14.8299 58.7421 -18.8376 29.1075 -18.8377 -47.8933 GPRESSAVG: 794800 3.02312 -11.9427 29.0826 -14.4726 59.7026 -18.8919 29.3058 -19.238 -49.9477 TIMING: 794800 CPU: 2308.53, 0.00289067/step Wall: 2308.53, 0.00289067/step, 3.37662 hours remaining, 204.960938 MB of memory in use. ENERGY: 794800 732.5667 2126.2010 1958.9345 107.6806 -206415.4226 17890.2040 0.0000 0.0000 34145.4423 -149454.3935 298.2006 -183599.8358 -149359.8973 298.8474 31.2539 67.1395 557245.0036 4.1958 4.2593 PRESSURE: 795000 177.15 -112.923 11.9651 -112.922 212.441 138.786 11.9656 138.786 282.576 GPRESSURE: 795000 192.062 -181.211 -7.03859 -175.495 258.349 216.66 1.37115 100.461 308.627 PRESSAVG: 795000 3.76494 -45.8857 24.4482 -45.8857 21.3579 10.1439 24.4482 10.1438 4.05594 GPRESSAVG: 795000 2.60892 -47.1805 23.8099 -47.1031 19.1502 11.0795 22.7093 8.98001 7.19346 TIMING: 795000 CPU: 2309.1, 0.00288894/step Wall: 2309.1, 0.00288894/step, 3.37444 hours remaining, 204.960938 MB of memory in use. ENERGY: 795000 761.0681 2109.0948 1980.5989 114.5024 -206775.6784 18110.9581 0.0000 0.0000 34261.4691 -149437.9871 299.2139 -183699.4562 -149340.9191 298.7716 224.0557 253.0129 556833.3926 9.7263 9.6508 PRESSURE: 795200 -43.7841 -130.223 4.57621 -130.221 142.252 -96.6129 4.57628 -96.6132 59.5906 GPRESSURE: 795200 31.6997 -165.624 -0.478481 -95.1191 161.965 -136.058 -0.554924 -51.124 76.2307 PRESSAVG: 795200 1.2289 -18.9459 67.7682 -18.9458 -10.4925 -54.6157 67.7683 -54.6156 -10.3714 GPRESSAVG: 795200 2.03753 -21.0984 70.0829 -15.1886 -10.284 -58.6986 69.9132 -52.7382 -12.2892 TIMING: 795200 CPU: 2309.68, 0.00287082/step Wall: 2309.68, 0.00287082/step, 3.35312 hours remaining, 204.960938 MB of memory in use. ENERGY: 795200 721.6956 2126.7799 1985.6638 118.3661 -206274.0501 17850.3801 0.0000 0.0000 33940.8279 -149530.3367 296.4137 -183471.1646 -149434.1879 298.6467 52.6862 89.9652 557895.8129 -6.5450 -6.8452 PRESSURE: 795400 -207.864 114.896 20.1994 114.897 141.997 -57.5723 20.2002 -57.5715 -226.084 GPRESSURE: 795400 -238.424 38.8247 27.4297 229.187 194.63 -62.9389 9.60586 -34.8029 -149.401 PRESSAVG: 795400 10.2281 -25.5018 -21.399 -25.5018 -21.756 -23.6096 -21.3989 -23.6096 -9.02212 GPRESSAVG: 795400 9.45531 -24.4565 -24.0811 -27.5281 -21.5022 -20.9366 -20.8592 -23.8918 -9.15492 TIMING: 795400 CPU: 2310.25, 0.00287346/step Wall: 2310.25, 0.00287346/step, 3.35604 hours remaining, 204.960938 MB of memory in use. ENERGY: 795400 751.7226 2094.3216 1954.1411 124.8796 -206313.4826 17861.3114 0.0000 0.0000 34085.1605 -149441.9458 297.6742 -183527.1063 -149341.2652 298.4169 -97.3172 -64.3984 557712.3129 -6.8500 -7.0673 PRESSURE: 795600 -0.819993 -230.231 -55.9428 -230.232 -161.058 -97.7611 -55.9411 -97.7617 319.94 GPRESSURE: 795600 22.4473 -135.824 -30.1059 -229.264 -97.0806 -135.198 30.6731 -79.1467 324.356 PRESSAVG: 795600 -28.9525 11.5821 51.8105 11.5821 33.9093 -5.76706 51.8106 -5.76712 -6.61108 GPRESSAVG: 795600 -29.1765 12.2873 52.1596 8.3118 33.4052 -5.01007 52.4617 -6.93783 -6.18136 TIMING: 795600 CPU: 2310.83, 0.00287154/step Wall: 2310.83, 0.00287154/step, 3.35364 hours remaining, 204.960938 MB of memory in use. ENERGY: 795600 771.9949 2133.8310 1989.5048 119.0062 -206604.4416 17971.0109 0.0000 0.0000 34197.4685 -149421.6254 298.6550 -183619.0938 -149329.7851 298.3547 52.6874 83.2408 556637.6082 -0.5514 -0.6509 PRESSURE: 795800 92.4234 8.10488 -111.501 8.10648 62.6693 -36.7755 -111.501 -36.7761 -223.913 GPRESSURE: 795800 78.0511 10.8124 -170.113 11.6583 165.365 -4.9958 -125.874 11.4303 -207.965 PRESSAVG: 795800 15.9195 18.1781 5.89355 18.1782 2.4803 -3.57572 5.8936 -3.57566 -38.3578 GPRESSAVG: 795800 15.4187 18.3204 6.44305 20.1624 3.49611 -4.5334 3.14505 -1.55626 -38.8947 TIMING: 795800 CPU: 2311.41, 0.00291245/step Wall: 2311.41, 0.00291245/step, 3.40126 hours remaining, 204.960938 MB of memory in use. ENERGY: 795800 745.3246 2112.2063 1978.9797 109.4114 -206452.2594 17959.7111 0.0000 0.0000 34223.6874 -149322.9389 298.8840 -183546.6263 -149225.1135 298.7301 -22.9401 11.8171 557748.6780 -6.6527 -6.6600 PRESSURE: 796000 119.561 -79.2935 -6.92168 -79.2936 -20.087 121.549 -6.92154 121.549 147.965 GPRESSURE: 796000 107.207 -143.385 -73.6717 -32.529 6.04632 95.6647 -11.7353 174.105 231.42 PRESSAVG: 796000 21.9318 -12.4098 -49.5969 -12.4098 40.9409 7.92153 -49.5969 7.92156 -34.6912 GPRESSAVG: 796000 21.3366 -13.505 -50.5261 -11.0091 40.524 9.20923 -48.2075 7.50228 -33.5955 TIMING: 796000 CPU: 2311.99, 0.00290277/step Wall: 2311.99, 0.00290277/step, 3.38979 hours remaining, 204.960938 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: 796000 732.3128 2096.0672 1962.0805 121.0238 -206642.8222 18054.9354 0.0000 0.0000 34302.7545 -149373.6481 299.5745 -183676.4025 -149274.9619 299.3783 82.4798 114.8912 557314.2721 9.3938 9.4217 PRESSURE: 796200 -394.64 15.1189 -75.423 15.1192 -119.248 -16.894 -75.4229 -16.8951 -254.887 GPRESSURE: 796200 -359.413 124.059 -70.3213 -21.3162 -108.535 -48.3345 -101.759 1.96662 -193.281 PRESSAVG: 796200 -47.5606 52.1415 -35.3053 52.1414 30.8705 -6.21844 -35.3053 -6.21841 6.21152 GPRESSAVG: 796200 -46.6468 53.503 -33.6958 50.9449 31.1602 -8.1185 -36.8445 -4.62104 5.51638 TIMING: 796200 CPU: 2312.57, 0.00287708/step Wall: 2312.57, 0.00287708/step, 3.35963 hours remaining, 204.960938 MB of memory in use. ENERGY: 796200 812.9620 2116.2245 1992.0387 107.1675 -206128.5174 17508.7131 0.0000 0.0000 34110.3198 -149481.0919 297.8939 -183591.4116 -149382.4870 298.6003 -256.2582 -220.4097 558212.3857 -3.4929 -3.3234 LDB: ============= START OF LOAD BALANCING ============== 2316.03 LDB: ============== END OF LOAD BALANCING =============== 2316.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.03 LDB: ============= START OF LOAD BALANCING ============== 2316.32 LDB: Largest compute 4827 load 0.028129 is 23.9% of average load 0.117629 LDB: Average compute 0.001727 is 1.5% of average load 0.117629 LDB: TIME 2316.32 LOAD: AVG 0.117629 MAX 0.178191 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2316.32 LOAD: AVG 0.117629 MAX 0.178191 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: TIME 2316.32 LOAD: AVG 0.117629 MAX 0.178191 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2316.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.33 PRESSURE: 796400 14.4379 8.16603 -174.408 8.16587 -55.789 -38.6923 -174.407 -38.6921 -221.014 GPRESSURE: 796400 61.1987 37.9084 -165.397 54.3371 -27.918 -32.3761 -155.139 -92.7404 -192.741 PRESSAVG: 796400 19.6292 16.027 -51.6156 16.027 -36.3324 42.4644 -51.6155 42.4645 34.7981 GPRESSAVG: 796400 21.0821 14.3188 -53.3785 17.3688 -37.112 43.3209 -49.7025 41.675 34.5525 TIMING: 796400 CPU: 2313.16, 0.0029501/step Wall: 2313.16, 0.0029501/step, 3.44473 hours remaining, 205.476562 MB of memory in use. ENERGY: 796400 718.6298 2079.5620 1953.0422 116.3721 -205973.6671 17489.9106 0.0000 0.0000 34171.8694 -149444.2810 298.4314 -183616.1504 -149345.7012 298.6494 -87.4550 -53.1535 556528.8701 6.0317 6.1742 PRESSURE: 796600 135.611 -12.3865 2.91611 -12.3869 147.826 75.1833 2.91705 75.1833 -25.223 GPRESSURE: 796600 163.162 -9.6026 -65.0616 -0.707401 164.149 29.3622 -24.8342 31.3924 13.0083 PRESSAVG: 796600 14.9257 4.29502 -19.4248 4.29504 -4.58577 -47.7956 -19.4249 -47.7956 -1.57556 GPRESSAVG: 796600 12.4352 5.11655 -18.3557 4.03674 -3.54246 -46.8815 -18.7467 -51.4141 -0.480068 TIMING: 796600 CPU: 2313.73, 0.00289311/step Wall: 2313.73, 0.00289311/step, 3.37803 hours remaining, 205.476562 MB of memory in use. ENERGY: 796600 762.7369 2127.7882 1977.3370 118.5211 -206434.7641 17965.1222 0.0000 0.0000 34264.3021 -149218.9566 299.2387 -183483.2588 -149125.2706 298.6993 86.0715 113.4396 557676.2509 2.9215 2.8042 PRESSURE: 796800 -113.887 -124.043 17.267 -124.044 -166.092 64.219 17.2675 64.218 -32.2915 GPRESSURE: 796800 -67.6753 -78.4897 12.313 -167.895 -153.063 -6.92815 9.83336 49.8363 6.32176 PRESSAVG: 796800 -9.68124 -28.9827 -11.6947 -28.9827 6.59247 5.69838 -11.6947 5.69845 23.2641 GPRESSAVG: 796800 -8.10022 -27.9311 -12.0854 -30.6212 6.45706 6.7033 -12.777 7.30943 22.2589 TIMING: 796800 CPU: 2314.31, 0.00288615/step Wall: 2314.31, 0.00288615/step, 3.36974 hours remaining, 205.476562 MB of memory in use. ENERGY: 796800 735.4875 2107.5085 1976.0322 115.5066 -205977.4868 17539.0972 0.0000 0.0000 34193.5565 -149310.2982 298.6208 -183503.8547 -149210.0269 298.9465 -104.0899 -71.4723 558288.4662 6.7251 6.8719 PRESSURE: 797000 -125.112 54.2287 120.532 54.2294 -66.9834 5.08724 120.532 5.08747 -137.291 GPRESSURE: 797000 -111.762 -11.306 216.939 92.4276 -33.2858 -61.8094 95.8349 -45.6036 -78.6662 PRESSAVG: 797000 -24.5726 -11.1427 -6.90921 -11.1426 24.1188 27.5651 -6.90923 27.5651 4.08332 GPRESSAVG: 797000 -25.5382 -12.3558 -6.23779 -10.1766 24.5494 25.711 -7.24096 28.1783 4.5717 TIMING: 797000 CPU: 2314.89, 0.00291181/step Wall: 2314.89, 0.00291181/step, 3.39954 hours remaining, 205.476562 MB of memory in use. ENERGY: 797000 773.8288 2121.9521 1963.7535 120.0341 -206029.7668 17624.8551 0.0000 0.0000 34056.2294 -149369.1138 297.4215 -183425.3432 -149266.2331 297.8740 -109.7956 -74.5713 558226.8937 1.2099 1.1943 PRESSURE: 797200 32.4754 -40.4796 -67.8187 -40.4798 137.608 79.2978 -67.8177 79.2984 342.079 GPRESSURE: 797200 10.758 -118.064 8.18208 -22.1121 155.598 119.701 -102.104 125.376 423.533 PRESSAVG: 797200 -47.2445 41.0861 18.0858 41.086 91.5033 4.49325 18.0858 4.49321 -16.2715 GPRESSAVG: 797200 -47.6587 41.5219 18.4118 40.4153 91.1789 7.26468 18.2932 3.37703 -16.1114 TIMING: 797200 CPU: 2315.47, 0.00289432/step Wall: 2315.47, 0.00289432/step, 3.37896 hours remaining, 205.476562 MB of memory in use. ENERGY: 797200 760.3147 2070.3644 1985.8672 123.4550 -206821.2118 18158.2194 0.0000 0.0000 34316.3864 -149406.6047 299.6935 -183722.9911 -149306.8700 298.5420 170.7206 196.6297 556159.8784 9.3291 9.1363 PRESSURE: 797400 -460.607 -35.6467 43.1469 -35.645 -170.935 82.5618 43.1457 82.5605 57.0642 GPRESSURE: 797400 -441.717 63.1108 21.3444 -54.3312 -137.146 53.8636 40.815 163.013 91.9431 PRESSAVG: 797400 -73.72 -10.6706 -10.3272 -10.6705 68.2742 -24.5028 -10.3273 -24.5027 21.5746 GPRESSAVG: 797400 -74.2339 -9.97178 -12.6196 -10.7402 68.8551 -27.1148 -7.56026 -26.2841 21.7752 TIMING: 797400 CPU: 2316.06, 0.00292139/step Wall: 2316.06, 0.00292139/step, 3.4104 hours remaining, 205.476562 MB of memory in use. ENERGY: 797400 737.5975 2131.3774 1995.6187 121.5704 -205866.4729 17346.8239 0.0000 0.0000 34230.5918 -149302.8932 298.9443 -183533.4851 -149211.4604 298.5424 -191.4925 -162.3069 558008.5223 5.3763 5.4654 PRESSURE: 797600 166.048 -156.254 36.9684 -156.253 174.08 -125.665 36.9688 -125.665 113.566 GPRESSURE: 797600 138.901 -169.198 74.3527 -172.808 261.505 -33.4442 7.47078 -101 151.095 PRESSAVG: 797600 -25.4373 19.8408 22.0868 19.8407 -60.8934 -31.2237 22.0868 -31.2238 51.6284 GPRESSAVG: 797600 -25.1062 20.4622 23.6105 19.4653 -60.3593 -30.6482 20.1793 -29.1292 50.9559 TIMING: 797600 CPU: 2316.63, 0.00289077/step Wall: 2316.63, 0.00289077/step, 3.37449 hours remaining, 205.476562 MB of memory in use. ENERGY: 797600 729.0086 2100.7235 1981.4343 99.4159 -206236.3620 17914.2435 0.0000 0.0000 34266.8597 -149144.6765 299.2610 -183411.5362 -149047.7054 299.0665 151.2313 183.8334 558588.1390 -11.5674 -11.5032 PRESSURE: 797800 -209.543 -78.7912 -43.4865 -78.7911 -216.9 161.148 -43.4854 161.148 154.024 GPRESSURE: 797800 -173.028 -135.343 -61.1061 -24.5701 -204.769 243.246 -112.051 102.599 209.052 PRESSAVG: 797800 -27.2906 -50.4102 -92.7561 -50.4102 16.7089 -57.8009 -92.7561 -57.8008 -7.40558 GPRESSAVG: 797800 -28.1572 -51.4555 -93.3816 -48.929 16.4927 -55.5525 -90.841 -58.9673 -6.91396 TIMING: 797800 CPU: 2317.21, 0.00288729/step Wall: 2317.21, 0.00288729/step, 3.37027 hours remaining, 205.476562 MB of memory in use. ENERGY: 797800 783.7281 2121.0553 1996.1981 118.0549 -206249.7594 17900.8200 0.0000 0.0000 34431.8205 -148898.0826 300.7017 -183329.9031 -148802.6314 299.7475 -90.8063 -56.2483 558878.3489 -5.9958 -6.1928 PRESSURE: 798000 78.4059 -110.358 -6.60215 -110.357 154.187 -188.334 -6.60311 -188.334 -40.9452 GPRESSURE: 798000 138.553 -103.469 7.65492 -110.388 118.614 -138.068 -42.3865 -172.492 27.3273 PRESSAVG: 798000 0.187716 -16.3338 31.9313 -16.3338 72.8515 21.6563 31.9313 21.6564 -82.9321 GPRESSAVG: 798000 1.39799 -16.5834 32.2884 -16.3062 73.4025 21.1662 29.5791 20.6576 -84.5337 TIMING: 798000 CPU: 2317.79, 0.00288078/step Wall: 2317.79, 0.00288078/step, 3.36251 hours remaining, 205.476562 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: 798000 721.6443 2054.4984 1969.5928 114.9549 -206288.2034 17955.4142 0.0000 0.0000 34391.2864 -149080.8124 300.3477 -183472.0988 -148980.1782 300.3920 63.8825 94.8314 558444.9368 -3.2976 -3.2444 PRESSURE: 798200 75.8776 26.2538 89.4747 26.2555 -69.2424 229.35 89.4757 229.351 176.112 GPRESSURE: 798200 137.193 70.1034 134.642 59.506 -38.3661 178.201 50.9007 248.618 174.257 PRESSAVG: 798200 10.7699 35.322 -11.1371 35.322 68.3777 35.8824 -11.1372 35.8826 -38.022 GPRESSAVG: 798200 9.08467 33.9983 -10.8969 35.6602 69.109 33.9009 -10.8331 37.6395 -37.6618 TIMING: 798200 CPU: 2318.37, 0.00288505/step Wall: 2318.37, 0.00288505/step, 3.36734 hours remaining, 205.476562 MB of memory in use. ENERGY: 798200 766.0450 2102.0264 1963.3092 113.0354 -206349.5379 17966.3202 0.0000 0.0000 34265.8542 -149172.9476 299.2522 -183438.8018 -149078.8482 299.1491 60.9156 91.0281 556956.0993 13.7085 13.5106 PRESSURE: 798400 -168.961 4.83428 182.376 4.83305 -14.3233 -87.4488 182.377 -87.4487 -250.056 GPRESSURE: 798400 -170.921 27.6005 176.789 -110.797 20.8736 -46.2047 253.401 -38.8214 -190.625 PRESSAVG: 798400 5.01475 -41.249 -3.08165 -41.2491 -32.2718 -25.2754 -3.0816 -25.2754 28.1507 GPRESSAVG: 798400 6.24229 -40.8777 -2.83889 -40.3428 -32.7584 -23.1058 -4.02096 -26.3965 27.5054 TIMING: 798400 CPU: 2318.94, 0.00288704/step Wall: 2318.94, 0.00288704/step, 3.3695 hours remaining, 205.476562 MB of memory in use. ENERGY: 798400 781.9230 2120.6347 1983.7722 118.2800 -206309.5117 17681.0364 0.0000 0.0000 34482.8561 -149141.0094 301.1474 -183623.8656 -149041.2628 299.9367 -144.4468 -113.5574 558095.2414 0.2979 0.3298 PRESSURE: 798600 -252.005 -29.4051 74.5274 -29.4064 -121.4 -29.4039 74.5265 -29.4043 -277.605 GPRESSURE: 798600 -186.803 -36.8145 17.4333 -17.0017 -146.678 -0.935355 128.885 7.35976 -229.132 PRESSAVG: 798600 9.48043 -35.3886 -9.34493 -35.3887 5.47727 0.726093 -9.34504 0.725981 -15.7103 GPRESSAVG: 798600 9.09605 -35.4959 -11.1073 -35.5106 4.0168 -0.52232 -7.7518 1.5041 -13.6987 TIMING: 798600 CPU: 2319.52, 0.00289423/step Wall: 2319.52, 0.00289423/step, 3.37772 hours remaining, 205.476562 MB of memory in use. ENERGY: 798600 723.3193 2074.6730 1958.8944 123.6399 -205882.9749 17529.6564 0.0000 0.0000 34200.2053 -149272.5866 298.6789 -183472.7918 -149181.4738 299.3592 -217.0032 -187.5376 558012.3825 -0.2509 -0.1953 PRESSURE: 798800 -182.004 56.2207 222.15 56.22 -86.7016 -63.6446 222.15 -63.6442 -196.548 GPRESSURE: 798800 -143.493 106.004 188.263 -3.59038 -87.8538 11.4885 206.311 -109.66 -122.947 PRESSAVG: 798800 67.9839 3.33568 41.3856 3.33572 5.2733 -15.7849 41.3856 -15.785 -39.8567 GPRESSAVG: 798800 67.7387 3.57751 41.5329 2.95399 6.94807 -15.0848 42.1101 -15.1032 -41.1267 TIMING: 798800 CPU: 2320.1, 0.00289794/step Wall: 2320.1, 0.00289794/step, 3.3819 hours remaining, 205.476562 MB of memory in use. ENERGY: 798800 760.9187 2076.6749 1987.4439 107.0507 -206388.1221 17863.5754 0.0000 0.0000 34139.0176 -149453.4409 298.1445 -183592.4585 -149356.7628 298.3796 -155.0846 -118.0980 558796.3638 11.1335 11.1867 PRESSURE: 799000 41.7677 69.2991 159.352 69.2984 260.164 -102.813 159.351 -102.812 101.82 GPRESSURE: 799000 46.2376 54.4446 222.258 106.429 305.725 -183.492 144.597 -48.7333 141.236 PRESSAVG: 799000 -61.345 36.3713 18.591 36.3713 125.014 -3.66283 18.591 -3.66284 -37.0339 GPRESSAVG: 799000 -61.716 35.5115 18.6707 36.3556 124.621 -3.92882 16.5764 -5.09722 -36.5239 TIMING: 799000 CPU: 2320.68, 0.00289933/step Wall: 2320.68, 0.00289933/step, 3.38335 hours remaining, 205.476562 MB of memory in use. ENERGY: 799000 739.6605 2114.7799 1954.0069 131.6643 -206619.3801 18139.7751 0.0000 0.0000 34200.2211 -149339.2723 298.6790 -183539.4935 -149239.8204 298.9566 134.5840 164.3996 558122.9039 8.8785 8.7937 PRESSURE: 799200 -92.2623 117.719 -27.1212 117.72 -231.594 -110.141 -27.12 -110.141 -197.684 GPRESSURE: 799200 -70.2255 84.8311 -41.5011 140.485 -178.577 -119.986 -27.9539 -13.4484 -178.067 PRESSAVG: 799200 -2.48326 12.4016 1.01082 12.4016 34.3853 -12.0252 1.01085 -12.0251 -46.5533 GPRESSAVG: 799200 -1.25479 14.1905 1.29302 11.4621 33.3912 -11.0047 2.48878 -13.2169 -47.2251 TIMING: 799200 CPU: 2321.26, 0.00288532/step Wall: 2321.26, 0.00288532/step, 3.36685 hours remaining, 205.476562 MB of memory in use. ENERGY: 799200 752.0909 2088.7723 2000.4268 125.0075 -206394.0601 17757.5058 0.0000 0.0000 34286.3566 -149383.9002 299.4313 -183670.2568 -149296.0666 298.6760 -173.8468 -142.2897 558947.2310 -4.8837 -5.0296 PRESSURE: 799400 40.1866 -190.258 -105.457 -190.258 207.051 -46.5698 -105.456 -46.5699 -86.3418 GPRESSURE: 799400 130.813 -237.586 -166.793 -100.266 269.711 -36.5725 6.59798 -92.7823 -129.201 PRESSAVG: 799400 12.1417 -14.6942 18.1531 -14.6941 -25.0777 -25.4467 18.1531 -25.4467 23.8913 GPRESSAVG: 799400 11.1481 -18.2917 19.8362 -12.3341 -24.377 -25.3827 19.5433 -24.8066 24.5102 TIMING: 799400 CPU: 2321.83, 0.00288302/step Wall: 2321.83, 0.00288302/step, 3.364 hours remaining, 205.476562 MB of memory in use. ENERGY: 799400 743.8773 2137.3856 1969.7290 130.4885 -206317.9561 17857.8771 0.0000 0.0000 34155.2201 -149323.3785 298.2860 -183478.5986 -149224.4635 299.3068 53.6320 90.4412 557579.9796 3.6517 3.7604 PRESSURE: 799600 -385.389 -85.1054 139.194 -85.105 -94.5252 44.327 139.193 44.3261 -53.6966 GPRESSURE: 799600 -349.872 -81.0069 182.516 -106.718 -84.2249 36.8788 97.6792 80.2943 -7.80771 PRESSAVG: 799600 3.22112 -30.7064 1.51552 -30.7064 -1.69745 -30.4963 1.5154 -30.4962 -6.58 GPRESSAVG: 799600 4.71446 -28.0087 0.321563 -32.3697 -2.14038 -30.3667 -2.43589 -28.7616 -7.05267 TIMING: 799600 CPU: 2322.41, 0.002898/step Wall: 2322.41, 0.002898/step, 3.38133 hours remaining, 205.476562 MB of memory in use. ENERGY: 799600 744.1766 2141.4954 1972.8643 121.2760 -206051.2404 17641.7389 0.0000 0.0000 34128.5222 -149301.1669 298.0529 -183429.6891 -149201.9889 298.6870 -177.8703 -147.3016 561281.1565 -1.6854 -1.4929 PRESSURE: 799800 21.3138 -139.096 78.3112 -139.096 -67.3469 -70.0746 78.3109 -70.0762 -111.19 GPRESSURE: 799800 53.4187 -184.913 101.453 -16.1715 2.30592 -42.6733 116.602 -7.1003 -110.077 PRESSAVG: 799800 -8.9475 -4.11035 56.8352 -4.11041 1.0375 -0.365121 56.8352 -0.365141 25.2784 GPRESSAVG: 799800 -10.37 -4.39896 56.2341 -3.61801 1.72566 -1.36912 58.8748 0.464023 26.7487 TIMING: 799800 CPU: 2323, 0.00290657/step Wall: 2323, 0.00290657/step, 3.39116 hours remaining, 205.476562 MB of memory in use. ENERGY: 799800 739.7736 2074.7314 1960.7573 118.2965 -206265.9676 17744.8683 0.0000 0.0000 34363.1203 -149264.4203 300.1017 -183627.5406 -149170.9507 299.0307 -52.4078 -18.1174 558941.9472 5.7895 6.0348 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.009 seconds, 205.547 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800000 38.2279 -32.9754 75.4957 -32.9756 -27.5163 104.249 75.4964 104.25 -144.639 GPRESSURE: 800000 46.6203 -7.93174 84.9618 19.2579 9.36318 126.354 101.259 73.9361 -81.3249 PRESSAVG: 800000 35.0423 -1.59028 -1.54562 -1.59038 -27.8645 11.2509 -1.54563 11.2509 -36.7622 GPRESSAVG: 800000 35.876 -1.2327 -2.27742 -2.02048 -28.609 10.1034 -0.96772 12.0408 -37.0083 TIMING: 800000 CPU: 2323.59, 0.00299593/step Wall: 2323.59, 0.00299593/step, 3.49525 hours remaining, 205.546875 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: 800000 737.8840 2101.1888 1989.1421 132.9543 -206133.3497 17830.3193 0.0000 0.0000 34057.4177 -149284.4434 297.4319 -183341.8611 -149187.2790 298.8638 -44.6424 -8.4471 558664.1131 -9.8615 -9.9138 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 PRESSURE: 800200 -198.344 -89.8895 127.287 -89.8895 146.915 59.1283 127.287 59.1266 249.913 GPRESSURE: 800200 -171.174 8.4905 116.732 -135.849 230.834 98.3433 101.188 37.4921 234.669 PRESSAVG: 800200 -55.1812 22.0359 15.0601 22.036 60.2268 -14.2266 15.0602 -14.2266 7.93268 GPRESSAVG: 800200 -55.4532 24.0048 17.93 22.0953 61.2787 -12.2419 15.2911 -16.2634 6.51749 TIMING: 800200 CPU: 2324.18, 0.0029163/step Wall: 2324.18, 0.0029163/step, 3.40219 hours remaining, 205.750000 MB of memory in use. ENERGY: 800200 732.2125 2111.0107 1982.8639 103.4266 -206459.8744 18011.1132 0.0000 0.0000 34227.8304 -149291.4170 298.9202 -183519.2475 -149196.1150 298.0079 66.1612 98.1095 556850.5308 4.3261 4.1143 LDB: ============= START OF LOAD BALANCING ============== 2327.64 LDB: ============== END OF LOAD BALANCING =============== 2327.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2327.65 LDB: ============= START OF LOAD BALANCING ============== 2327.94 LDB: Largest compute 4827 load 0.028880 is 24.5% of average load 0.117658 LDB: Average compute 0.001727 is 1.5% of average load 0.117658 LDB: TIME 2327.94 LOAD: AVG 0.117658 MAX 0.177167 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.781 MB LDB: TIME 2327.94 LOAD: AVG 0.117658 MAX 0.177167 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: TIME 2327.94 LOAD: AVG 0.117658 MAX 0.177167 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: ============== END OF LOAD BALANCING =============== 2327.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2327.94 PRESSURE: 800400 83.0353 -19.3529 -44.8156 -19.3518 -14.5267 -0.530481 -44.8156 -0.530722 -126.919 GPRESSURE: 800400 128.496 54.4695 -70.1562 -23.4788 19.6996 -7.01987 53.3279 87.533 -95.1949 PRESSAVG: 800400 -71.7641 13.0402 -51.7256 13.0403 17.3793 57.9146 -51.7256 57.9146 34.4971 GPRESSAVG: 800400 -71.2478 11.2354 -54.4848 14.6204 16.4882 57.9421 -50.0418 57.7257 34.5664 TIMING: 800400 CPU: 2324.77, 0.00295662/step Wall: 2324.77, 0.00295662/step, 3.44906 hours remaining, 206.957031 MB of memory in use. ENERGY: 800400 733.2036 2113.0326 1956.6923 108.0770 -206506.3426 17962.7084 0.0000 0.0000 34366.9994 -149265.6294 300.1356 -183632.6288 -149172.2444 299.2154 -19.4703 17.6669 559235.8101 -6.6292 -6.7310 PRESSURE: 800600 -88.9931 -30.6343 118.227 -30.6349 -86.1004 18.5847 118.227 18.586 172.439 GPRESSURE: 800600 -49.7398 -40.6398 73.6462 -28.4303 -87.8202 -1.99459 185.954 42.7782 228.524 PRESSAVG: 800600 12.0548 -21.5049 -8.64496 -21.5048 -29.7233 7.59243 -8.64493 7.59247 14.5941 GPRESSAVG: 800600 12.2245 -21.7767 -6.53597 -23.913 -31.3399 9.99824 -9.94586 6.70406 15.5142 TIMING: 800600 CPU: 2325.35, 0.00291265/step Wall: 2325.35, 0.00291265/step, 3.39761 hours remaining, 207.027344 MB of memory in use. ENERGY: 800600 739.1756 2103.9608 1963.3786 114.2451 -206260.0961 17885.1322 0.0000 0.0000 34105.5607 -149348.6432 297.8523 -183454.2038 -149251.5390 298.6844 -0.8848 30.3214 559665.2918 -1.0248 -1.2004 PRESSURE: 800800 -185.21 -83.91 57.0499 -83.9109 -46.7368 152.769 57.0509 152.77 94.8455 GPRESSURE: 800800 -172.21 -34.3931 114.979 -71.2542 12.5337 121.514 -8.34366 217.501 121.634 PRESSAVG: 800800 -10.0798 -8.54252 -18.7133 -8.54254 -2.98807 26.6467 -18.7134 26.6467 32.4768 GPRESSAVG: 800800 -11.1038 -8.19072 -20.0032 -9.20487 -1.97215 22.9085 -18.3145 28.8207 32.3902 TIMING: 800800 CPU: 2325.93, 0.00291056/step Wall: 2325.93, 0.00291056/step, 3.395 hours remaining, 207.027344 MB of memory in use. ENERGY: 800800 739.0490 2114.5271 1970.3652 108.1029 -206434.3475 17974.5803 0.0000 0.0000 34226.0552 -149301.6677 298.9047 -183527.7229 -149207.2935 298.2874 -45.7006 -12.6807 559775.2155 6.4696 6.4381 PRESSURE: 801000 -120.284 70.1948 181.42 70.1948 -104.7 -158.809 181.42 -158.808 -174.095 GPRESSURE: 801000 -64.59 140.087 127.972 -18.5206 -113.717 -136.49 180.043 -122.495 -106.138 PRESSAVG: 801000 1.7094 -35.4847 3.46243 -35.4847 45.6475 16.3462 3.46236 16.3463 -25.1315 GPRESSAVG: 801000 2.64611 -36.5444 4.04541 -33.6632 45.7021 18.6263 4.27775 14.2191 -25.734 TIMING: 801000 CPU: 2326.51, 0.00287739/step Wall: 2326.51, 0.00287739/step, 3.35616 hours remaining, 207.027344 MB of memory in use. ENERGY: 801000 756.4579 2087.6876 1944.9107 103.6567 -206135.6176 17716.6068 0.0000 0.0000 34267.3916 -149258.9063 299.2657 -183526.2979 -149160.4717 299.0450 -133.0263 -94.8147 557463.7939 7.4085 7.5381 PRESSURE: 801200 -159.466 -93.5787 77.0448 -93.5774 34.3144 -59.7797 77.0453 -59.7798 -152.7 GPRESSURE: 801200 -81.6536 -109.257 48.6886 -135.3 -8.31363 -87.1174 28.012 -43.0691 -100.571 PRESSAVG: 801200 27.8772 -5.0143 5.99269 -5.01421 -25.8877 9.03165 5.99264 9.03164 17.9769 GPRESSAVG: 801200 26.6164 -2.38687 3.51881 -6.57843 -24.8766 7.78262 5.90651 9.69903 18.3824 TIMING: 801200 CPU: 2327.09, 0.00289813/step Wall: 2327.09, 0.00289813/step, 3.38019 hours remaining, 207.027344 MB of memory in use. ENERGY: 801200 724.6158 2076.9826 2011.9768 131.9432 -206275.4535 17804.5016 0.0000 0.0000 34414.5703 -149110.8632 300.5510 -183525.4335 -149011.6980 299.5435 -92.6172 -63.5127 558698.6101 6.6555 6.7074 PRESSURE: 801400 -52.1924 -88.8521 33.5504 -88.8524 -87.2312 90.9167 33.5516 90.915 -268.833 GPRESSURE: 801400 -53.2568 -79.7557 30.9467 -142.79 -33.8405 75.2307 43.5388 62.7885 -219.126 PRESSAVG: 801400 -67.2917 -27.2645 -0.403251 -27.2645 29.4932 18.8078 -0.40332 18.8077 23.8429 GPRESSAVG: 801400 -65.2193 -28.4444 0.434684 -26.6007 28.6001 18.5795 -0.849452 19.5255 22.3954 TIMING: 801400 CPU: 2327.67, 0.00290032/step Wall: 2327.67, 0.00290032/step, 3.38257 hours remaining, 207.027344 MB of memory in use. ENERGY: 801400 756.3695 2084.7447 1998.8755 114.6521 -205997.3713 17545.1501 0.0000 0.0000 34113.0804 -149384.4990 297.9180 -183497.5794 -149294.5762 298.4754 -136.0855 -102.0745 557393.8472 -4.6519 -4.7412 PRESSURE: 801600 -101.306 -110.161 188.913 -110.16 92.7759 61.5257 188.912 61.5254 17.9547 GPRESSURE: 801600 -23.6261 -57.2078 144.952 -115.889 97.1371 134.49 267.823 67.5014 38.1103 PRESSAVG: 801600 -35.7217 -28.2698 37.4618 -28.2697 4.80486 27.4679 37.4618 27.468 17.1846 GPRESSAVG: 801600 -36.4414 -28.5058 38.66 -28.4516 4.99678 26.8705 36.9901 27.1637 18.3355 TIMING: 801600 CPU: 2328.25, 0.0029113/step Wall: 2328.25, 0.0029113/step, 3.39522 hours remaining, 207.027344 MB of memory in use. ENERGY: 801600 742.3838 2117.2718 1965.4162 118.4345 -206539.9130 17744.5725 0.0000 0.0000 34310.8150 -149541.0192 299.6449 -183851.8342 -149441.5684 298.5164 3.1417 37.2071 555411.7174 -4.5774 -4.3697 PRESSURE: 801800 30.7216 -253.181 134.137 -253.181 27.3984 -123.137 134.138 -123.138 -183.512 GPRESSURE: 801800 55.0118 -185.255 88.1256 -189.046 62.1899 -153.265 132.396 -70.3593 -165.712 PRESSAVG: 801800 11.6319 -34.1491 30.0995 -34.1491 18.8663 21.8039 30.0995 21.8038 -17.4856 GPRESSAVG: 801800 10.7129 -35.9115 30.0449 -32.502 18.6503 21.8719 27.817 22.9827 -17.0449 TIMING: 801800 CPU: 2328.83, 0.00291051/step Wall: 2328.83, 0.00291051/step, 3.39414 hours remaining, 207.027344 MB of memory in use. ENERGY: 801800 753.1337 2092.9403 1981.1504 100.2101 -206509.3499 17921.4891 0.0000 0.0000 34263.3490 -149397.0773 299.2303 -183660.4263 -149298.4143 298.4328 -41.7973 -16.1702 557561.2440 4.3375 4.1061 PRESSURE: 802000 10.4899 23.5477 33.4606 23.5471 -372.252 -60.333 33.4605 -60.333 23.5966 GPRESSURE: 802000 -4.74252 89.233 39.9554 23.7607 -308.041 -68.7198 7.1795 -30.8448 68.7167 PRESSAVG: 802000 -13.1123 -60.3881 -17.2957 -60.3881 20.5954 15.7899 -17.2956 15.7899 5.46717 GPRESSAVG: 802000 -12.0532 -59.4741 -18.4262 -61.4584 20.294 16.1023 -15.3456 16.1088 4.73729 TIMING: 802000 CPU: 2329.41, 0.00289715/step Wall: 2329.41, 0.00289715/step, 3.3784 hours remaining, 207.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 802000 767.9225 2138.3018 1965.9158 115.7472 -206360.3951 17841.8036 0.0000 0.0000 34340.9445 -149189.7596 299.9080 -183530.7041 -149091.7993 298.7026 -112.7217 -81.3556 557849.7211 4.3168 4.3260 PRESSURE: 802200 98.9256 -108.137 -115.295 -108.138 -288.926 76.052 -115.295 76.0515 -270.432 GPRESSURE: 802200 137.607 -81.816 7.33587 -117.039 -227.83 47.1916 -93.8119 32.8848 -262.302 PRESSAVG: 802200 -15.3609 8.30118 -13.7958 8.30114 18.7185 -7.52559 -13.7957 -7.52565 9.07718 GPRESSAVG: 802200 -15.946 8.67232 -13.8176 8.70328 18.8212 -6.4706 -16.061 -7.03687 9.74673 TIMING: 802200 CPU: 2329.99, 0.00289429/step Wall: 2329.99, 0.00289429/step, 3.3749 hours remaining, 207.027344 MB of memory in use. ENERGY: 802200 792.5283 2144.0530 1995.1549 107.5455 -206289.5900 17736.0458 0.0000 0.0000 34228.4426 -149285.8199 298.9255 -183514.2625 -149190.2768 299.2019 -153.4773 -117.5084 558706.3769 4.1449 4.2073 PRESSURE: 802400 -131.525 -111.849 -59.7201 -111.85 20.7469 -57.5115 -59.7201 -57.5113 112.904 GPRESSURE: 802400 -87.634 -45.6027 -115.097 -166.77 9.06371 -31.8698 4.4504 -139.417 174.061 PRESSAVG: 802400 2.14388 0.373745 -37.2089 0.373695 -16.8209 -22.7633 -37.209 -22.7632 -20.1544 GPRESSAVG: 802400 3.0997 -0.230421 -37.1282 -0.48286 -17.347 -24.6303 -35.0627 -23.496 -20.5649 TIMING: 802400 CPU: 2330.57, 0.00288779/step Wall: 2330.57, 0.00288779/step, 3.36716 hours remaining, 207.230469 MB of memory in use. ENERGY: 802400 706.2363 2107.5195 2003.6770 106.7289 -206237.8272 17705.0247 0.0000 0.0000 34269.4995 -149339.1413 299.2841 -183608.6408 -149235.7123 298.7293 0.7088 31.8303 555661.1416 -11.6105 -11.6041 PRESSURE: 802600 59.6461 199.361 15.2358 199.361 15.6396 -153.697 15.2382 -153.697 -160.962 GPRESSURE: 802600 22.1777 184.461 -12.3723 196.56 123.738 -54.5632 43.5867 -101.479 -146.247 PRESSAVG: 802600 30.7784 16.2678 -45.8356 16.2677 -10.944 40.555 -45.8355 40.555 -10.583 GPRESSAVG: 802600 30.4243 17.511 -44.9937 16.7937 -10.6283 42.3891 -46.5807 40.1759 -10.6924 TIMING: 802600 CPU: 2331.15, 0.00288394/step Wall: 2331.15, 0.00288394/step, 3.36252 hours remaining, 207.230469 MB of memory in use. ENERGY: 802600 744.4709 2186.6026 1996.1063 103.4977 -206503.2311 17898.0932 0.0000 0.0000 34278.0868 -149296.3735 299.3591 -183574.4603 -149199.3581 299.0509 -28.5589 -0.1105 557216.5209 3.0838 3.0346 PRESSURE: 802800 -190.49 -80.3725 23.672 -80.3725 -236.331 -98.5514 23.6724 -98.5507 210.902 GPRESSURE: 802800 -140.344 -40.4077 2.70457 -52.5811 -153.954 -88.0916 54.9441 -92.4031 179.886 PRESSAVG: 802800 24.2484 9.15987 13.8113 9.15989 -68.8624 -84.5113 13.8113 -84.5113 14.2567 GPRESSAVG: 802800 23.6484 8.83913 12.7761 8.76082 -68.5786 -86.4459 14.5253 -85.836 14.8624 TIMING: 802800 CPU: 2331.73, 0.00289872/step Wall: 2331.73, 0.00289872/step, 3.37958 hours remaining, 207.230469 MB of memory in use. ENERGY: 802800 727.2821 2089.6340 1987.6428 123.5969 -206238.3086 17765.7442 0.0000 0.0000 34290.9838 -149253.4248 299.4717 -183544.4086 -149154.5657 299.2839 -71.9732 -38.1371 556730.1944 -10.1191 -10.0226 PRESSURE: 803000 -17.1293 -78.3111 125.755 -78.3111 27.9813 -118.367 125.754 -118.368 -114.267 GPRESSURE: 803000 37.2693 -253.432 89.4058 36.7072 77.7833 6.8793 199.741 -170.879 -123.382 PRESSAVG: 803000 44.7489 -2.36891 -32.8468 -2.3689 4.47877 -8.66451 -32.8468 -8.6645 -28.1752 GPRESSAVG: 803000 45.1387 -2.55256 -32.1499 -1.03341 3.88231 -8.10931 -32.9118 -9.39647 -27.5108 TIMING: 803000 CPU: 2332.3, 0.00288838/step Wall: 2332.3, 0.00288838/step, 3.36737 hours remaining, 207.230469 MB of memory in use. ENERGY: 803000 776.0250 2043.1734 1984.1901 122.0196 -206180.1553 17808.8753 0.0000 0.0000 34441.9820 -149003.8899 300.7904 -183445.8719 -148903.4446 299.5186 -34.4717 -2.7763 557862.2911 7.0175 7.1701 PRESSURE: 803200 15.2099 156.917 88.0579 156.917 -21.3878 -36.2075 88.0576 -36.2077 -150.374 GPRESSURE: 803200 4.28431 141.073 141.894 202.297 4.94776 -75.5065 116.908 -35.3279 -59.0323 PRESSAVG: 803200 -5.8712 19.2619 -10.8454 19.2618 -10.3402 -19.0056 -10.8453 -19.0056 -3.18183 GPRESSAVG: 803200 -5.64943 19.4053 -8.72152 20.5196 -10.3704 -18.9602 -12.1773 -17.6849 -2.8481 TIMING: 803200 CPU: 2332.88, 0.00288808/step Wall: 2332.88, 0.00288808/step, 3.36686 hours remaining, 207.230469 MB of memory in use. ENERGY: 803200 752.7202 2111.4688 1985.0156 118.0337 -206539.8761 17948.4760 0.0000 0.0000 34648.1811 -148975.9806 302.5912 -183624.1617 -148876.4337 300.1834 -52.1840 -16.6001 557852.7231 -6.4644 -6.2893 PRESSURE: 803400 -326.196 26.3753 -50.8263 26.3747 -187.758 -11.15 -50.8259 -11.1504 -426.172 GPRESSURE: 803400 -281.458 25.1266 -81.3083 -3.18409 -174.863 -7.55546 27.2177 42.572 -381.173 PRESSAVG: 803400 -8.2056 -26.7746 0.9564 -26.7746 58.0218 24.818 0.95641 24.818 -52.7343 GPRESSAVG: 803400 -9.10418 -26.8544 0.557634 -28.327 58.2088 24.4212 2.66821 23.865 -51.9692 TIMING: 803400 CPU: 2333.46, 0.00290632/step Wall: 2333.46, 0.00290632/step, 3.38796 hours remaining, 207.230469 MB of memory in use. ENERGY: 803400 712.2116 2136.3419 1961.0771 115.0960 -205712.1171 17304.6273 0.0000 0.0000 34414.5584 -149068.2047 300.5509 -183482.7631 -148975.2502 299.6915 -313.3752 -279.1646 557966.9783 -0.9727 -0.9548 PRESSURE: 803600 -317.159 -113.336 34.2776 -113.336 -427.24 154.506 34.2772 154.507 -195.23 GPRESSURE: 803600 -275.157 -112.374 66.7681 -153.318 -381.237 82.7704 -69.854 126.394 -186.206 PRESSAVG: 803600 -45.3504 -12.1563 15.8084 -12.1563 7.87911 -30.8969 15.8085 -30.8968 -17.8318 GPRESSAVG: 803600 -44.3392 -10.2572 14.2899 -13.7564 7.58993 -29.8291 15.9468 -31.7712 -18.583 TIMING: 803600 CPU: 2334.04, 0.00289502/step Wall: 2334.04, 0.00289502/step, 3.37463 hours remaining, 207.230469 MB of memory in use. ENERGY: 803600 737.9399 2091.9138 1964.1896 109.4015 -205517.9247 17263.8194 0.0000 0.0000 34138.1962 -149212.4642 298.1374 -183350.6604 -149118.7181 298.8761 -313.2101 -280.8665 558412.3048 -18.4344 -18.4441 PRESSURE: 803800 333.322 1.58454 137.632 1.58345 31.2602 -37.9808 137.632 -37.979 31.0977 GPRESSURE: 803800 313.328 10.1079 146.794 -15.8236 128.74 -21.6247 29.065 4.26579 47.3963 PRESSAVG: 803800 -33.0621 10.42 -37.768 10.42 76.9729 -32.948 -37.7679 -32.9479 -5.68807 GPRESSAVG: 803800 -32.4349 8.27706 -37.6007 12.5999 77.2724 -32.2844 -38.8494 -31.2434 -6.86794 TIMING: 803800 CPU: 2334.62, 0.00290348/step Wall: 2334.62, 0.00290348/step, 3.38433 hours remaining, 207.230469 MB of memory in use. ENERGY: 803800 766.3795 2109.8143 1952.6904 110.6612 -206082.1933 17747.7543 0.0000 0.0000 34320.9684 -149073.9251 299.7336 -183394.8936 -148975.6558 299.7664 131.8933 163.1546 556051.3949 12.7409 12.6565 PRESSURE: 804000 -125.565 108.523 -187.036 108.525 1.02392 118.182 -187.035 118.18 -308.112 GPRESSURE: 804000 -78.0937 53.0946 -175.681 122.406 21.8061 155.944 -244.941 115.002 -266.855 PRESSAVG: 804000 9.70202 30.5365 -32.9943 30.5365 21.5151 40.8059 -32.9944 40.8059 -52.4242 GPRESSAVG: 804000 9.59123 30.717 -34.1727 29.3522 21.1874 39.3925 -31.7783 43.2796 -51.9189 TIMING: 804000 CPU: 2335.2, 0.00290889/step Wall: 2335.2, 0.00290889/step, 3.39047 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 804000 756.3389 2047.4609 1986.9662 106.7000 -206102.8065 17700.0844 0.0000 0.0000 34328.3714 -149176.8846 299.7982 -183505.2560 -149079.2219 299.5775 -144.2176 -107.7142 556139.9022 -7.0691 -7.0468 PRESSURE: 804200 295.635 10.5442 -56.8376 10.5433 141.189 -10.7055 -56.8384 -10.706 -121.433 GPRESSURE: 804200 326.708 40.7461 -13.534 -2.3278 183.76 -26.4057 20.3625 31.3092 -96.9787 PRESSAVG: 804200 22.6299 -32.9072 24.0287 -32.9072 43.2226 63.4391 24.0287 63.4392 -39.9836 GPRESSAVG: 804200 22.0304 -32.2879 23.5787 -31.8681 43.6073 61.8773 22.7939 62.0455 -40.2534 TIMING: 804200 CPU: 2335.78, 0.00287937/step Wall: 2335.78, 0.00287937/step, 3.3559 hours remaining, 207.230469 MB of memory in use. ENERGY: 804200 731.8649 2168.0357 1932.9368 107.0933 -206425.4382 18013.1795 0.0000 0.0000 34288.5611 -149183.7668 299.4505 -183472.3279 -149093.2144 299.7885 105.1302 137.8297 555483.5551 8.6230 8.4614 LDB: ============= START OF LOAD BALANCING ============== 2339.24 LDB: ============== END OF LOAD BALANCING =============== 2339.24 LDB: =============== DONE WITH MIGRATION ================ 2339.25 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2339.54 LDB: Largest compute 4827 load 0.028377 is 24.1% of average load 0.117596 LDB: Average compute 0.001736 is 1.5% of average load 0.117596 LDB: TIME 2339.54 LOAD: AVG 0.117596 MAX 0.175783 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.48 MB LDB: TIME 2339.54 LOAD: AVG 0.117596 MAX 0.175783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: TIME 2339.54 LOAD: AVG 0.117596 MAX 0.175783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: ============== END OF LOAD BALANCING =============== 2339.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2339.54 PRESSURE: 804400 175.702 241.85 -66.9558 241.849 -176.306 -120.717 -66.9562 -120.717 -175.446 GPRESSURE: 804400 195.895 266.457 -18.0333 239.97 -69.0842 -128.755 -93.2425 -206.079 -201.686 PRESSAVG: 804400 8.05796 18.1863 -23.9194 18.1862 29.5508 17.5988 -23.9194 17.5987 -71.8661 GPRESSAVG: 804400 7.86952 18.2737 -22.9214 16.7732 29.6193 17.85 -25.2881 18.8618 -71.697 TIMING: 804400 CPU: 2336.37, 0.00294487/step Wall: 2336.37, 0.00294487/step, 3.43209 hours remaining, 205.156250 MB of memory in use. ENERGY: 804400 830.5569 2121.8467 1978.6180 136.0517 -206224.5793 17836.3249 0.0000 0.0000 34306.5705 -149014.6104 299.6078 -183321.1810 -148922.0698 299.5798 -58.6833 -24.9582 556532.5906 -11.4191 -11.4027 PRESSURE: 804600 -189.385 7.16545 -80.5354 7.16517 -286.329 -50.99 -80.5352 -50.9883 -193.639 GPRESSURE: 804600 -151.543 -26.1936 -43.4911 35.986 -269.163 -17.2363 -35.6972 -25.9231 -142.545 PRESSAVG: 804600 -3.14482 8.91542 8.39206 8.91535 -3.30746 0.443192 8.39204 0.443188 44.6252 GPRESSAVG: 804600 -3.4104 7.41839 7.0886 9.60795 -3.69103 1.72468 9.67612 -1.97388 44.9846 TIMING: 804600 CPU: 2336.95, 0.00288958/step Wall: 2336.95, 0.00288958/step, 3.36748 hours remaining, 205.222656 MB of memory in use. ENERGY: 804600 746.1747 2144.6347 1967.5797 139.1917 -205707.7108 17418.8420 0.0000 0.0000 34423.4879 -148867.8001 300.6289 -183291.2880 -148772.5480 300.0032 -223.1177 -187.7502 558670.9072 12.7243 12.6277 PRESSURE: 804800 -36.647 -69.7624 24.5579 -69.7616 106.325 -85.5258 24.5575 -85.524 5.13265 GPRESSURE: 804800 -14.0892 38.9178 115.153 -145.059 154.582 -56.5888 -46.411 -68.7467 27.1692 PRESSAVG: 804800 -50.7099 -43.7737 -28.9882 -43.7736 -3.64407 -38.7886 -28.9882 -38.7886 30.8047 GPRESSAVG: 804800 -49.6909 -42.6501 -26.2297 -43.4775 -4.18824 -39.2385 -30.3849 -39.8111 30.8209 TIMING: 804800 CPU: 2337.53, 0.00290447/step Wall: 2337.53, 0.00290447/step, 3.38467 hours remaining, 205.222656 MB of memory in use. ENERGY: 804800 751.7596 2134.7857 1987.6299 107.4889 -206224.5881 17792.6619 0.0000 0.0000 34381.0864 -149069.1757 300.2586 -183450.2621 -148970.2033 299.9896 24.9367 55.8874 556842.8867 -7.8498 -7.6861 PRESSURE: 805000 338.362 153.388 12.9648 153.388 -91.8378 -77.0345 12.9633 -77.0357 -65.0388 GPRESSURE: 805000 347.707 100.71 87.6191 131.337 -60.0596 -110.843 -47.9884 17.8549 -14.4885 PRESSAVG: 805000 -7.56863 13.0666 20.0064 13.0665 1.71313 -46.4942 20.0064 -46.4942 27.6091 GPRESSAVG: 805000 -8.14655 11.915 17.7897 13.2739 2.43577 -44.7694 22.2358 -46.0952 27.2551 TIMING: 805000 CPU: 2338.11, 0.00289658/step Wall: 2338.11, 0.00289658/step, 3.37532 hours remaining, 205.222656 MB of memory in use. ENERGY: 805000 757.6975 2121.3409 1980.2610 125.6172 -206545.9743 18069.1415 0.0000 0.0000 34271.3409 -149220.5753 299.3001 -183491.9162 -149125.0734 300.0672 60.4952 91.0531 557428.8162 7.2512 7.1814 PRESSURE: 805200 162.546 42.9557 281.93 42.9544 114.277 149.015 281.931 149.015 166.173 GPRESSURE: 805200 224.708 6.17298 256.533 -31.9041 149.135 131.463 283.627 121.91 175.517 PRESSAVG: 805200 1.81399 -52.4985 30.7683 -52.4984 -12.5122 -30.4703 30.7683 -30.4702 -3.6758 GPRESSAVG: 805200 1.11205 -49.2359 30.8829 -50.9512 -11.5206 -30.4488 28.9183 -29.693 -3.8074 TIMING: 805200 CPU: 2338.69, 0.00291043/step Wall: 2338.69, 0.00291043/step, 3.39129 hours remaining, 205.222656 MB of memory in use. ENERGY: 805200 764.5119 2111.1174 1965.9445 117.0349 -206376.5434 17881.5052 0.0000 0.0000 34226.1603 -149310.2693 298.9056 -183536.4296 -149213.2429 299.7871 147.6649 183.1201 555758.7145 -4.7913 -4.7386 PRESSURE: 805400 -261.164 -96.2395 138.512 -96.2401 -18.5006 -202.385 138.512 -202.387 -72.7219 GPRESSURE: 805400 -199.203 -69.7249 224.908 -58.3334 38.8922 -157.352 -30.63 -200.441 -95.0893 PRESSAVG: 805400 0.918795 -30.1538 68.7459 -30.1538 33.9991 15.2022 68.7458 15.2022 -7.44326 GPRESSAVG: 805400 2.18152 -30.9906 68.8389 -33.2955 33.2888 15.2902 69.5718 13.5979 -7.6793 TIMING: 805400 CPU: 2339.27, 0.00289514/step Wall: 2339.27, 0.00289514/step, 3.37332 hours remaining, 205.222656 MB of memory in use. ENERGY: 805400 750.1993 2137.3518 1990.6865 112.8967 -206394.8761 17721.6492 0.0000 0.0000 34147.8891 -149534.2035 298.2220 -183682.0927 -149432.8647 298.7561 -117.4622 -85.1335 557288.4060 9.1582 9.2637 PRESSURE: 805600 -153.899 -118.897 -9.29776 -118.897 25.3507 109.344 -9.29797 109.344 110.526 GPRESSURE: 805600 -64.5346 -20.4562 25.1065 -90.0774 66.092 66.4422 57.2972 92.5212 79.4329 PRESSAVG: 805600 4.68732 -33.7508 16.8074 -33.7508 17.7015 5.53935 16.8074 5.53932 -24.8779 GPRESSAVG: 805600 5.15105 -34.0745 17.5346 -32.7986 17.4011 3.99999 17.9019 7.41513 -25.4043 TIMING: 805600 CPU: 2339.85, 0.00290678/step Wall: 2339.85, 0.00290678/step, 3.38672 hours remaining, 205.222656 MB of memory in use. ENERGY: 805600 701.4880 2099.8261 1971.4380 102.4444 -206413.6018 17819.5496 0.0000 0.0000 34220.4230 -149498.4327 298.8555 -183718.8557 -149399.3522 298.3876 -6.0075 26.9968 557882.5985 -0.8297 -0.9507 PRESSURE: 805800 95.6974 -127.689 -80.4377 -127.689 138.146 125.488 -80.4382 125.485 -37.689 GPRESSURE: 805800 117.804 -117.105 -72.682 -123.218 202.582 227.612 -39.5098 122.149 -23.2593 PRESSAVG: 805800 7.65557 -33.2044 19.4503 -33.2044 21.9097 28.5616 19.4503 28.5615 4.03268 GPRESSAVG: 805800 5.99001 -32.6934 19.8994 -32.7708 22.0195 27.4346 17.6226 29.2695 5.1581 TIMING: 805800 CPU: 2340.43, 0.00291326/step Wall: 2340.43, 0.00291326/step, 3.39411 hours remaining, 205.222656 MB of memory in use. ENERGY: 805800 746.8439 2131.7089 1967.4940 122.7637 -206611.8428 18091.2511 0.0000 0.0000 34238.5339 -149313.2474 299.0136 -183551.7813 -149221.2211 298.6737 65.3847 99.0423 557649.0799 11.1993 11.0559 PRESSURE: 806000 19.7487 -52.7838 -59.9443 -52.7844 -226.604 -7.36269 -59.9446 -7.36341 -156.549 GPRESSURE: 806000 6.40006 -116.952 7.01026 -69.439 -163.918 -13.1068 -131.733 21.0004 -115.551 PRESSAVG: 806000 6.27777 -25.3849 -33.1253 -25.385 76.4209 -24.0053 -33.1252 -24.0053 -45.9052 GPRESSAVG: 806000 6.80971 -27.8101 -33.9899 -26.0815 76.4542 -22.7399 -33.2506 -27.7271 -46.3471 TIMING: 806000 CPU: 2341.01, 0.00290861/step Wall: 2341.01, 0.00290861/step, 3.38853 hours remaining, 205.222656 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: 806000 746.9521 2100.4107 1965.9112 105.8420 -206077.1912 17692.5480 0.0000 0.0000 34173.8113 -149291.7157 298.4484 -183465.5270 -149194.8014 299.1235 -121.1345 -91.0227 558484.5222 12.2645 12.3056 PRESSURE: 806200 109.162 -16.9428 22.294 -16.9425 15.5461 -2.95629 22.2933 -2.95551 255.668 GPRESSURE: 806200 115.381 -32.1215 -16.7271 -73.8535 51.2041 -101.326 105.23 46.9686 316.676 PRESSAVG: 806200 -31.0585 36.3495 41.0468 36.3494 37.2499 13.9214 41.0468 13.9215 -47.4258 GPRESSAVG: 806200 -29.401 36.7508 41.8233 38.28 35.9083 11.5204 42.7752 15.4083 -47.6517 TIMING: 806200 CPU: 2341.6, 0.00291206/step Wall: 2341.6, 0.00291206/step, 3.39239 hours remaining, 205.222656 MB of memory in use. ENERGY: 806200 726.6897 2117.6991 1951.1879 106.6052 -206606.6633 17995.9035 0.0000 0.0000 34373.6094 -149334.9685 300.1933 -183708.5778 -149236.1198 298.7061 126.7922 161.0871 556862.1382 -13.7448 -13.7148 PRESSURE: 806400 24.3838 -85.6235 -32.5349 -85.6249 -319.452 21.6313 -32.5345 21.6322 -16.5671 GPRESSURE: 806400 12.1584 -80.7194 7.01424 -67.5398 -240.944 66.5073 -14.1137 -61.3998 2.63123 PRESSAVG: 806400 40.3276 -41.5954 -11.0149 -41.5954 -27.7386 51.6303 -11.0149 51.6304 -0.963801 GPRESSAVG: 806400 38.946 -41.3792 -11.0764 -42.5148 -25.9498 52.5243 -9.82264 52.081 -0.921917 TIMING: 806400 CPU: 2342.18, 0.00291935/step Wall: 2342.18, 0.00291935/step, 3.40072 hours remaining, 205.222656 MB of memory in use. ENERGY: 806400 698.6233 2164.0387 2004.9188 116.6681 -205954.3140 17464.6174 0.0000 0.0000 34124.3057 -149381.1420 298.0160 -183505.4478 -149279.8388 299.1091 -103.8784 -75.3848 557227.3339 3.8751 4.0247 PRESSURE: 806600 -428.792 -25.8624 -84.83 -25.8642 -156.47 -33.8032 -84.8306 -33.8029 94.3361 GPRESSURE: 806600 -368.851 -12.8508 -85.7814 -30.2361 -149.788 -1.15006 -49.3729 -1.80718 132.733 PRESSAVG: 806600 28.6949 -28.0989 -23.1377 -28.0989 -25.338 -42.0095 -23.1377 -42.0094 -13.4753 GPRESSAVG: 806600 28.773 -26.9814 -23.7903 -28.6748 -24.8941 -40.2902 -24.635 -42.4898 -13.9211 TIMING: 806600 CPU: 2342.77, 0.00293788/step Wall: 2342.77, 0.00293788/step, 3.42214 hours remaining, 205.222656 MB of memory in use. ENERGY: 806600 743.1456 2158.9107 1963.2061 114.4114 -206173.0820 17574.1246 0.0000 0.0000 34227.3069 -149391.9767 298.9156 -183619.2836 -149299.3832 298.1685 -163.6419 -128.6356 557145.2925 -3.3728 -3.3474 PRESSURE: 806800 328.947 -171.918 -23.7222 -171.916 332.325 4.32123 -23.723 4.31981 3.69964 GPRESSURE: 806800 372.069 -173.077 -129.588 -81.5599 355.49 -43.044 -88.5445 26.3233 34.0348 PRESSAVG: 806800 62.4943 -6.41885 -17.1375 -6.41888 31.0675 9.62826 -17.1374 9.62816 -54.5512 GPRESSAVG: 806800 63.2926 -6.37264 -18.32 -5.88056 31.2299 9.94922 -15.7882 10.1639 -54.7887 TIMING: 806800 CPU: 2343.35, 0.00291659/step Wall: 2343.35, 0.00291659/step, 3.39718 hours remaining, 205.222656 MB of memory in use. ENERGY: 806800 736.4356 2042.1280 1971.1091 130.6110 -206737.0787 18228.1664 0.0000 0.0000 34374.0849 -149254.5437 300.1974 -183628.6286 -149152.2295 298.8638 221.6573 253.8647 556055.6774 13.0035 13.2446 PRESSURE: 807000 -134.181 25.0277 148.498 25.0291 -169.074 0.751969 148.498 0.753168 9.22756 GPRESSURE: 807000 -41.4895 57.1433 215.138 43.0286 -169.164 -65.0517 128.524 -37.6914 9.24402 PRESSAVG: 807000 -18.8956 -22.2933 -49.8029 -22.2933 -31.3503 -4.7405 -49.8028 -4.74057 71.4085 GPRESSAVG: 807000 -18.1472 -22.3742 -49.7167 -22.8513 -32.0434 -6.18582 -50.2923 -5.5819 71.209 TIMING: 807000 CPU: 2343.93, 0.00290741/step Wall: 2343.93, 0.00290741/step, 3.38632 hours remaining, 205.222656 MB of memory in use. ENERGY: 807000 746.3273 2170.5972 2000.8977 112.8962 -206414.3267 17769.0351 0.0000 0.0000 34347.2116 -149267.3616 299.9627 -183614.5732 -149171.0140 298.8979 -98.0094 -67.1366 558019.2379 7.0542 7.0061 PRESSURE: 807200 -265.7 86.0586 -28.8771 86.0578 134.132 69.2869 -28.8748 69.2877 -149.415 GPRESSURE: 807200 -230.778 57.7267 -127.882 171.617 126.406 25.1454 19.7917 26.1805 -81.7563 PRESSAVG: 807200 -66.4709 46.7756 -58.5564 46.7756 19.5834 -15.297 -58.5564 -15.297 43.8203 GPRESSAVG: 807200 -67.4323 46.7341 -57.8658 47.5753 18.9978 -16.7097 -58.3534 -14.7811 44.9341 TIMING: 807200 CPU: 2344.51, 0.00291149/step Wall: 2344.51, 0.00291149/step, 3.39092 hours remaining, 205.222656 MB of memory in use. ENERGY: 807200 774.5523 2066.3412 1980.0500 106.1362 -206173.6061 17791.5693 0.0000 0.0000 34383.8750 -149071.0822 300.2829 -183454.9572 -148969.0382 298.9781 -93.6613 -62.0431 557112.8752 -1.0224 -1.1668 PRESSURE: 807400 164.144 -70.5042 -232.723 -70.5046 74.7698 168.753 -232.723 168.753 -36.6327 GPRESSURE: 807400 188.771 -77.6883 -260.386 -86.3254 113.551 194.676 -246.687 118.49 -13.94 PRESSAVG: 807400 -31.95 66.6319 5.68167 66.6319 -3.56365 3.72239 5.68174 3.7224 46.3937 GPRESSAVG: 807400 -31.3275 65.8442 6.08016 65.9984 -3.5574 4.01756 5.16382 5.56978 45.5799 TIMING: 807400 CPU: 2345.1, 0.00292352/step Wall: 2345.1, 0.00292352/step, 3.40476 hours remaining, 205.222656 MB of memory in use. ENERGY: 807400 730.1036 2133.0769 1994.0372 115.5854 -206243.2763 17921.3632 0.0000 0.0000 34130.9316 -149218.1783 298.0739 -183349.1099 -149121.4252 299.9215 67.4271 96.1270 558346.5097 3.6267 3.5650 PRESSURE: 807600 -93.4071 51.6827 126.144 51.6833 246.634 -181.826 126.144 -181.826 -123.253 GPRESSURE: 807600 -82.5256 -9.11848 218.867 76.5071 238.593 -124.459 98.0605 -215.041 -31.0072 PRESSAVG: 807600 -13.8736 32.395 14.291 32.395 94.8357 -58.3285 14.291 -58.3285 -81.5805 GPRESSAVG: 807600 -14.9289 33.8587 14.6467 30.8749 95.702 -54.8162 14.4989 -59.6445 -81.1379 TIMING: 807600 CPU: 2345.68, 0.00290642/step Wall: 2345.68, 0.00290642/step, 3.38469 hours remaining, 205.222656 MB of memory in use. ENERGY: 807600 761.7149 2035.6724 1993.5983 105.8832 -206640.6820 18071.0805 0.0000 0.0000 34499.7779 -149172.9550 301.2951 -183672.7328 -149068.5650 299.2404 9.9910 41.6867 557744.1295 -0.2061 -0.1216 PRESSURE: 807800 -68.5953 -77.731 -39.372 -77.7305 -55.1927 6.4487 -39.3729 6.44831 -133.254 GPRESSURE: 807800 -69.7249 -84.9218 22.297 -68.3854 -38.0029 0.600132 -87.8923 93.465 -51.1855 PRESSAVG: 807800 10.8929 -22.9711 14.3518 -22.9711 83.6213 -0.942754 14.3519 -0.942683 -78.2586 GPRESSAVG: 807800 11.1154 -22.9925 14.1184 -23.5079 83.0538 -2.90783 14.0983 -2.71652 -77.9374 TIMING: 807800 CPU: 2346.26, 0.00288438/step Wall: 2346.26, 0.00288438/step, 3.35886 hours remaining, 205.222656 MB of memory in use. ENERGY: 807800 775.3429 2096.1498 1953.5524 116.6389 -206441.6465 17759.9770 0.0000 0.0000 34356.0733 -149383.9122 300.0401 -183739.9855 -149276.0279 299.7966 -85.6806 -52.9711 557238.7262 5.4185 5.4106 PRESSURE: 808000 60.3423 38.0116 70.7658 38.0128 -26.9703 -52.0693 70.7655 -52.0688 -233.472 GPRESSURE: 808000 73.7743 -39.6463 87.3509 95.6534 21.5379 -98.7246 127.854 -85.8013 -197.162 PRESSAVG: 808000 62.0544 -20.7109 71.6911 -20.7109 25.0542 3.84739 71.6911 3.84754 -46.8581 GPRESSAVG: 808000 62.34 -20.4407 72.2497 -17.8973 26.2953 5.5786 71.4801 2.92404 -47.9226 TIMING: 808000 CPU: 2346.84, 0.00290202/step Wall: 2346.84, 0.00290202/step, 3.37924 hours remaining, 205.222656 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: 808000 765.4965 2110.9887 2008.1662 116.6423 -206429.6396 17987.2570 0.0000 0.0000 34152.5144 -149288.5746 298.2624 -183441.0890 -149201.8859 299.5100 -66.6999 -33.9500 557683.7921 13.4168 13.5709 PRESSURE: 808200 16.8653 270.648 37.9562 270.649 -256.733 227.385 37.957 227.385 -78.6761 GPRESSURE: 808200 65.9454 381.028 -92.4259 173.406 -275.549 261.8 40.7793 160.448 -7.84923 PRESSAVG: 808200 45.3411 39.0846 2.75557 39.0845 -3.9386 9.66761 2.75561 9.66772 -3.31636 GPRESSAVG: 808200 45.5109 38.0716 0.760075 37.7888 -4.54656 8.59208 2.17167 12.2353 -3.13286 TIMING: 808200 CPU: 2347.42, 0.00292349/step Wall: 2347.42, 0.00292349/step, 3.40408 hours remaining, 205.222656 MB of memory in use. ENERGY: 808200 729.9926 2165.4911 2001.5469 115.1263 -206407.2822 17656.9299 0.0000 0.0000 34236.3453 -149501.8501 298.9945 -183738.1955 -149406.5321 298.3809 -106.1811 -72.4843 556256.5095 12.6954 12.6105 LDB: ============= START OF LOAD BALANCING ============== 2350.89 LDB: ============== END OF LOAD BALANCING =============== 2350.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2350.89 LDB: ============= START OF LOAD BALANCING ============== 2351.18 LDB: Largest compute 4827 load 0.027612 is 23.5% of average load 0.117597 LDB: Average compute 0.001737 is 1.5% of average load 0.117597 LDB: TIME 2351.18 LOAD: AVG 0.117597 MAX 0.178901 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.031 MB LDB: TIME 2351.18 LOAD: AVG 0.117597 MAX 0.178901 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.145 MB LDB: TIME 2351.18 LOAD: AVG 0.117597 MAX 0.178901 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2351.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2351.19 PRESSURE: 808400 168.788 57.7163 23.1308 57.7165 -50.8255 27.3429 23.1304 27.3423 -55.756 GPRESSURE: 808400 219.392 59.5522 68.0618 -22.1319 -27.0346 35.6154 31.6163 58.0568 -27.8504 PRESSAVG: 808400 -24.4488 1.75818 -3.92487 1.75811 9.528 41.1997 -3.9249 41.1997 -9.39908 GPRESSAVG: 808400 -24.167 2.75345 -4.78643 2.05754 9.63537 41.4477 -2.75964 40.7639 -9.20304 TIMING: 808400 CPU: 2348.01, 0.00295187/step Wall: 2348.01, 0.00295187/step, 3.43696 hours remaining, 203.738281 MB of memory in use. ENERGY: 808400 728.9584 2154.1176 1969.1016 98.2959 -206220.0304 17828.9111 0.0000 0.0000 34212.5220 -149228.1237 298.7865 -183440.6456 -149143.6617 298.6621 20.7355 54.8357 556906.4863 -8.1066 -7.9115 PRESSURE: 808600 -274.47 -139.568 -57.3988 -139.57 -35.7116 -38.9304 -57.3985 -38.93 -531.345 GPRESSURE: 808600 -244.119 -165.503 -95.0022 -142.685 -20.8105 -52.6137 -50.6148 17.4736 -480.071 PRESSAVG: 808600 -33.9564 14.6208 13.1471 14.6208 51.8395 -5.24526 13.1471 -5.24513 20.4699 GPRESSAVG: 808600 -34.3196 13.5426 13.7402 14.5956 51.8309 -5.34877 12.7898 -4.12642 20.682 TIMING: 808600 CPU: 2348.59, 0.00290549/step Wall: 2348.59, 0.00290549/step, 3.3828 hours remaining, 204.031250 MB of memory in use. ENERGY: 808600 821.3549 2123.9688 1974.2731 107.5501 -205494.0547 17348.1022 0.0000 0.0000 33912.0206 -149206.7850 296.1621 -183118.8056 -149114.9505 298.9779 -280.5086 -248.3334 557021.8243 12.7843 12.7311 PRESSURE: 808800 -43.0988 93.8954 193.566 93.8946 10.4418 -48.8755 193.565 -48.8753 40.5801 GPRESSURE: 808800 -44.4932 51.7941 177.304 129.538 31.3252 2.21116 278.382 -65.8752 126.949 PRESSAVG: 808800 -3.53317 11.4086 -13.443 11.4086 32.784 26.8356 -13.443 26.8355 -33.9992 GPRESSAVG: 808800 -3.18961 12.2522 -14.2104 11.4251 31.5551 26.6705 -13.3899 26.9095 -31.9625 TIMING: 808800 CPU: 2349.17, 0.00290073/step Wall: 2349.17, 0.00290073/step, 3.3771 hours remaining, 204.214844 MB of memory in use. ENERGY: 808800 742.0609 2142.1345 1988.5975 108.1401 -206246.6211 17907.4088 0.0000 0.0000 34306.0048 -149052.2745 299.6029 -183358.2793 -148953.2967 299.3310 2.6411 37.9269 557837.2198 -1.5828 -1.1990 PRESSURE: 809000 109.193 22.6092 -329.033 22.609 -91.5138 -58.6567 -329.034 -58.6572 118.28 GPRESSURE: 809000 107.014 39.5521 -353.32 -48.1336 -68.1498 49.3509 -225.48 -115.989 197.023 PRESSAVG: 809000 11.4631 -25.62 -6.48433 -25.62 -21.6029 -3.95144 -6.48423 -3.95153 -5.91221 GPRESSAVG: 809000 10.8651 -26.9078 -6.12071 -24.4524 -20.6244 -3.86491 -7.70429 -3.51125 -6.65053 TIMING: 809000 CPU: 2349.75, 0.00290048/step Wall: 2349.75, 0.00290048/step, 3.37665 hours remaining, 204.214844 MB of memory in use. ENERGY: 809000 746.0625 2093.5513 1974.7006 120.5308 -206010.9240 17834.0336 0.0000 0.0000 34140.1659 -149101.8793 298.1546 -183242.0452 -149004.4196 299.7360 45.3196 78.6294 557397.5344 -5.3507 -5.4699 PRESSURE: 809200 67.7934 -43.8269 -164.259 -43.8251 292.867 -2.20226 -164.259 -2.203 -15.4307 GPRESSURE: 809200 134.52 -54.1768 -124.271 -73.1958 299.947 -54.8587 -242.092 19.2506 6.89458 PRESSAVG: 809200 41.3731 34.6472 -82.6769 34.6472 -25.4563 13.1296 -82.6769 13.1296 -11.6759 GPRESSAVG: 809200 42.8401 35.642 -81.3896 36.344 -26.2346 13.2089 -80.2304 11.2884 -11.4854 TIMING: 809200 CPU: 2350.33, 0.00287382/step Wall: 2350.33, 0.00287382/step, 3.34544 hours remaining, 204.226562 MB of memory in use. ENERGY: 809200 766.2805 2112.1190 1993.1706 113.1151 -206696.1889 18081.1368 0.0000 0.0000 34151.5403 -149478.8265 298.2539 -183630.3668 -149380.6091 298.5928 115.0766 147.1207 556442.7711 1.4136 1.7067 PRESSURE: 809400 156.202 28.5541 -84.2223 28.5525 -216.347 124.094 -84.2234 124.092 153.318 GPRESSURE: 809400 201.702 -80.4099 -113.752 83.6504 -191.212 287.578 -61.9413 86.478 184.246 PRESSAVG: 809400 -22.265 0.786062 19.36 0.786078 20.6158 -21.59 19.36 -21.5899 20.6728 GPRESSAVG: 809400 -24.1064 2.22215 18.6701 -3.03513 21.5364 -19.8042 17.3251 -20.5402 21.5342 TIMING: 809400 CPU: 2350.9, 0.00286725/step Wall: 2350.9, 0.00286725/step, 3.33764 hours remaining, 204.226562 MB of memory in use. ENERGY: 809400 763.9476 2064.4889 1990.6559 118.7841 -206385.1563 18023.8639 0.0000 0.0000 34034.9131 -149388.5029 297.2354 -183423.4160 -149289.7989 298.9044 31.0576 64.9117 557759.6525 6.3412 6.3214 PRESSURE: 809600 121.015 103.195 317.312 103.196 -11.2925 -221.091 317.311 -221.091 66.9641 GPRESSURE: 809600 147.346 20.1054 328.535 110.119 55.5452 -175.989 276.979 -196.95 76.1428 PRESSAVG: 809600 -9.45675 5.69106 35.829 5.69107 -9.72347 46.4481 35.829 46.4481 -7.22318 GPRESSAVG: 809600 -8.79076 2.45423 36.9033 8.17385 -9.46097 46.3529 34.2405 46.1305 -8.18445 TIMING: 809600 CPU: 2351.48, 0.00289408/step Wall: 2351.48, 0.00289408/step, 3.3687 hours remaining, 204.226562 MB of memory in use. ENERGY: 809600 769.8864 2103.4284 1955.8133 114.0748 -206808.7294 18228.0223 0.0000 0.0000 34271.8097 -149365.6946 299.3042 -183637.5043 -149262.2436 298.4458 58.8957 93.0114 558084.6602 -8.8011 -8.8121 PRESSURE: 809800 -213.995 -72.3019 108.067 -72.3021 0.617843 21.0338 108.067 21.0324 135.568 GPRESSURE: 809800 -213.854 -0.0380416 168.818 -37.4237 2.69707 132.344 114.698 -4.09793 222.17 PRESSAVG: 809800 17.0856 -46.9674 74.6928 -46.9674 70.7171 25.4685 74.6928 25.4686 -41.4496 GPRESSAVG: 809800 17.1607 -45.3369 73.9192 -46.0542 70.4752 23.3963 76.6071 25.4643 -41.6509 TIMING: 809800 CPU: 2352.07, 0.00293013/step Wall: 2352.07, 0.00293013/step, 3.41051 hours remaining, 204.277344 MB of memory in use. ENERGY: 809800 752.9980 2201.5606 1987.1530 114.9781 -206308.5355 17693.7806 0.0000 0.0000 34295.2806 -149262.7845 299.5092 -183558.0651 -149164.0024 299.1040 -25.9366 3.6710 557676.9015 15.4510 15.3283 PRESSURE: 810000 41.7451 68.3193 -228.458 68.3188 290.593 -8.50784 -228.459 -8.50915 -88.9413 GPRESSURE: 810000 60.4073 26.8047 -176.625 167.788 262.201 -56.1008 -249.912 57.0611 21.3259 PRESSAVG: 810000 -64.0599 -10.7771 30.3507 -10.7771 91.0934 -7.29519 30.3506 -7.2951 -4.90918 GPRESSAVG: 810000 -64.4514 -10.8758 29.6208 -11.353 90.7372 -6.45294 30.4838 -7.23675 -4.75323 TIMING: 810000 CPU: 2352.65, 0.00289881/step Wall: 2352.65, 0.00289881/step, 3.37389 hours remaining, 204.277344 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: 810000 715.2982 2133.7134 1966.6000 116.6560 -206036.7970 17852.1403 0.0000 0.0000 34122.9491 -149129.4401 298.0042 -183252.3892 -149025.9524 299.0590 81.1322 114.6448 558425.8044 7.3748 7.1775 PRESSURE: 810200 -259.083 -58.2047 65.2642 -58.2049 -156.904 -46.9208 65.2626 -46.9206 -333.898 GPRESSURE: 810200 -213.704 -16.5387 72.3552 17.0111 -178.189 -171.68 55.0785 44.9487 -267.576 PRESSAVG: 810200 -8.19622 9.41691 14.0582 9.41694 57.649 3.2847 14.0582 3.28469 -85.6767 GPRESSAVG: 810200 -7.69533 10.3659 15.3045 8.86938 58.3161 1.13618 13.2372 3.46417 -87.6131 TIMING: 810200 CPU: 2353.22, 0.00288778/step Wall: 2353.22, 0.00288778/step, 3.36089 hours remaining, 204.277344 MB of memory in use. ENERGY: 810200 779.9834 2104.6325 1956.8578 119.2036 -205888.2641 17567.9177 0.0000 0.0000 34209.4364 -149150.2326 298.7595 -183359.6690 -149053.8712 298.9386 -249.9618 -219.8229 559375.9168 -12.0747 -12.3308 PRESSURE: 810400 -209.362 -133.107 90.5242 -133.108 -268.9 -16.5085 90.5249 -16.5092 -132.49 GPRESSURE: 810400 -169.781 -106.467 60.9162 -165.978 -186.269 -59.0637 94.3971 -141.389 -154.366 PRESSAVG: 810400 -29.4142 -35.5543 -1.57734 -35.5543 24.3407 -5.06124 -1.57732 -5.06133 -12.2331 GPRESSAVG: 810400 -29.6143 -36.2692 -3.02567 -35.1094 22.6122 -0.997522 -1.69736 -8.17746 -10.0812 TIMING: 810400 CPU: 2353.8, 0.00287867/step Wall: 2353.8, 0.00287867/step, 3.35013 hours remaining, 204.277344 MB of memory in use. ENERGY: 810400 765.2830 2093.4538 1973.9615 105.7223 -206125.0707 17729.3653 0.0000 0.0000 34321.6640 -149135.6207 299.7396 -183457.2847 -149039.1360 298.7772 -203.5838 -170.1386 558446.1376 -5.7689 -5.6944 PRESSURE: 810600 184.397 174.138 124.343 174.137 -104.749 93.3347 124.343 93.3343 53.3533 GPRESSURE: 810600 212.212 94.1208 115.461 181.458 -80.8277 94.1507 92.4447 28.5228 107.253 PRESSAVG: 810600 23.8335 -66.5492 -20.9208 -66.5493 -26.2794 -32.6991 -20.9209 -32.6992 -37.4142 GPRESSAVG: 810600 23.2527 -66.4507 -19.5094 -65.9963 -24.5517 -36.0752 -19.0549 -30.6539 -38.1947 TIMING: 810600 CPU: 2354.38, 0.00289964/step Wall: 2354.38, 0.00289964/step, 3.37438 hours remaining, 204.277344 MB of memory in use. ENERGY: 810600 751.3399 2094.7692 1973.1133 116.4681 -206185.2435 17944.8665 0.0000 0.0000 34171.5418 -149133.1446 298.4286 -183304.6865 -149041.1354 299.5325 44.3338 79.5459 558438.9771 -13.2867 -13.1645 PRESSURE: 810800 -104.329 -104.12 167.042 -104.119 102.495 -0.933074 167.041 -0.931976 39.7652 GPRESSURE: 810800 -94.7317 -70.8702 195.33 -108.016 123.429 -34.3069 129.67 3.48767 114.294 PRESSAVG: 810800 -47.3241 -16.998 28.0742 -16.9979 7.56535 39.1549 28.0741 39.1548 8.79194 GPRESSAVG: 810800 -44.6262 -15.989 28.2582 -19.4701 5.91737 40.902 26.5439 39.0558 7.75901 TIMING: 810800 CPU: 2354.96, 0.00290178/step Wall: 2354.96, 0.00290178/step, 3.3767 hours remaining, 204.277344 MB of memory in use. ENERGY: 810800 702.7061 2107.7815 1982.4142 107.9823 -205794.2183 17595.6653 0.0000 0.0000 34073.6424 -149224.0266 297.5736 -183297.6691 -149130.7296 299.1714 12.6436 47.6638 557791.1731 -10.3223 -10.3166 PRESSURE: 811000 47.9306 76.7757 -190.392 76.7751 -86.6206 206.476 -190.392 206.476 376.207 GPRESSURE: 811000 83.8805 62.5557 -210.243 76.0144 -48.7022 148.715 -185.075 203.873 399.884 PRESSAVG: 811000 -54.3915 -10.2573 38.1163 -10.2573 32.5375 73.1921 38.1163 73.192 6.35667 GPRESSAVG: 811000 -56.2544 -9.62757 37.5549 -8.67594 33.5881 72.91 37.1247 73.6944 7.53344 TIMING: 811000 CPU: 2355.54, 0.00289532/step Wall: 2355.54, 0.00289532/step, 3.36902 hours remaining, 204.277344 MB of memory in use. ENERGY: 811000 734.1289 2130.0745 2002.0882 112.6116 -206364.7094 18058.4059 0.0000 0.0000 34266.9882 -149060.4122 299.2621 -183327.4004 -148968.5247 299.3515 112.5058 145.0208 558503.7143 -5.1658 -5.0443 PRESSURE: 811200 7.30544 23.4129 -135.314 23.4134 145.059 66.1204 -135.316 66.1199 69.6176 GPRESSURE: 811200 15.4131 -50.2129 -104.047 5.87728 172.621 32.063 -98.5028 80.7035 133.137 PRESSAVG: 811200 6.75489 -16.2413 7.20991 -16.2412 -64.9216 52.7319 7.20989 52.7319 81.5529 GPRESSAVG: 811200 6.96663 -16.996 8.32546 -15.8818 -64.837 52.2762 6.94876 54.0046 81.8553 TIMING: 811200 CPU: 2356.12, 0.00289341/step Wall: 2356.12, 0.00289341/step, 3.36665 hours remaining, 204.277344 MB of memory in use. ENERGY: 811200 704.2292 2058.1283 1983.4692 108.6204 -206234.9523 17927.2799 0.0000 0.0000 34127.6815 -149325.5438 298.0455 -183453.2253 -149221.3677 299.4482 73.9941 107.0572 557165.7931 7.7954 7.9950 PRESSURE: 811400 -57.7004 -20.9046 158.4 -20.9052 -266.322 167.777 158.4 167.779 -352.35 GPRESSURE: 811400 -75.4115 -14.967 113.178 46.4519 -198.662 214.707 128.838 250.614 -312.352 PRESSAVG: 811400 42.7057 2.18657 50.3824 2.18645 86.8757 13.8699 50.3823 13.8699 -71.0688 GPRESSAVG: 811400 42.167 0.765181 48.4108 3.95289 87.4452 13.2369 51.847 14.6633 -71.2124 TIMING: 811400 CPU: 2356.7, 0.00290384/step Wall: 2356.7, 0.00290384/step, 3.37861 hours remaining, 204.277344 MB of memory in use. ENERGY: 811400 692.9509 2086.9427 1987.3632 114.1155 -205875.9079 17354.4210 0.0000 0.0000 34313.2423 -149326.8725 299.6661 -183640.1147 -149231.4679 298.3960 -225.4572 -195.4752 558020.6545 19.5042 19.4666 PRESSURE: 811600 98.2792 -104.872 28.0178 -104.872 -56.4317 46.9515 28.0179 46.9512 385.82 GPRESSURE: 811600 64.8793 -74.2151 -24.6511 -112.633 -4.21652 -17.1552 63.1011 28.4795 481.782 PRESSAVG: 811600 6.44634 23.1021 1.82374 23.102 -63.267 -21.0811 1.82379 -21.081 31.7822 GPRESSAVG: 811600 6.84605 24.0141 4.83894 21.3617 -63.2331 -21.2972 0.974912 -23.1687 31.1921 TIMING: 811600 CPU: 2357.28, 0.00288497/step Wall: 2357.28, 0.00288497/step, 3.35651 hours remaining, 204.277344 MB of memory in use. ENERGY: 811600 747.7381 2118.6423 1990.8147 111.0219 -206336.1201 18029.8757 0.0000 0.0000 34135.0872 -149202.9402 298.1102 -183338.0275 -149108.2143 299.5687 142.5558 180.8150 557240.7433 -8.3462 -8.3983 PRESSURE: 811800 69.6976 86.0512 -183.836 86.05 -1.81941 -6.96629 -183.836 -6.96527 -71.9911 GPRESSURE: 811800 153.312 74.0663 -171.786 87.6956 57.1545 -59.5364 -179.887 -30.4217 -113.702 PRESSAVG: 811800 -24.6614 17.7077 11.7641 17.7077 15.9777 -0.0173223 11.7641 -0.0172853 71.5824 GPRESSAVG: 811800 -24.801 19.2341 7.69371 19.146 16.2613 2.15954 13.0529 -0.180722 71.8535 TIMING: 811800 CPU: 2357.85, 0.00286763/step Wall: 2357.85, 0.00286763/step, 3.33616 hours remaining, 204.277344 MB of memory in use. ENERGY: 811800 725.5576 2099.5433 1981.0738 115.1796 -206376.4097 17862.8818 0.0000 0.0000 34337.0174 -149255.1561 299.8737 -183592.1735 -149158.8968 298.8099 -1.3710 32.2549 556967.6670 20.9663 21.1046 PRESSURE: 812000 1.4871 -1.25564 46.4482 -1.25459 81.5779 -22.6405 46.447 -22.6413 61.7917 GPRESSURE: 812000 20.9126 -32.8947 172.753 -3.08593 109.961 65.1492 -12.943 6.20912 121.046 PRESSAVG: 812000 -8.92612 2.9568 -26.5077 2.95687 -34.8085 1.46306 -26.5078 1.46306 40.6588 GPRESSAVG: 812000 -10.0918 2.77561 -25.446 2.3284 -34.2568 0.942065 -25.9464 0.428998 41.2274 TIMING: 812000 CPU: 2358.43, 0.00288485/step Wall: 2358.43, 0.00288485/step, 3.35605 hours remaining, 204.277344 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: 812000 729.5654 2070.7594 2009.2487 126.3085 -206529.5749 17897.6332 0.0000 0.0000 34384.3603 -149311.6995 300.2872 -183696.0598 -149210.0208 299.1071 48.2856 83.9733 557039.1076 -1.0253 -1.0404 PRESSURE: 812200 38.3353 31.9721 119.015 31.9717 -112.725 -99.213 119.016 -99.2128 106.065 GPRESSURE: 812200 101.952 68.8476 110.143 74.26 -92.3358 -97.7368 75.8999 -115.763 117.016 PRESSAVG: 812200 -32.8706 -28.6721 38.7378 -28.6721 -9.1218 44.9339 38.7379 44.934 20.6201 GPRESSAVG: 812200 -30.7386 -30.7917 40.4751 -27.9617 -9.30217 44.2784 36.7064 46.1249 19.0455 TIMING: 812200 CPU: 2359.01, 0.00289076/step Wall: 2359.01, 0.00289076/step, 3.36276 hours remaining, 204.277344 MB of memory in use. ENERGY: 812200 729.7800 2092.5632 1988.7734 105.9717 -206231.3685 17912.7228 0.0000 0.0000 34281.1874 -149120.3702 299.3861 -183401.5576 -149024.7832 299.3892 10.5585 42.2106 558081.1420 -7.1241 -6.9984 LDB: ============= START OF LOAD BALANCING ============== 2362.47 LDB: ============== END OF LOAD BALANCING =============== 2362.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2362.47 LDB: ============= START OF LOAD BALANCING ============== 2362.77 LDB: Largest compute 4827 load 0.027163 is 23.1% of average load 0.117570 LDB: Average compute 0.001733 is 1.5% of average load 0.117570 LDB: TIME 2362.77 LOAD: AVG 0.11757 MAX 0.177602 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.031 MB LDB: TIME 2362.77 LOAD: AVG 0.11757 MAX 0.177602 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: TIME 2362.77 LOAD: AVG 0.11757 MAX 0.177602 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2362.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2362.78 PRESSURE: 812400 98.9415 -36.0215 108.299 -36.0217 96.6147 -5.53821 108.3 -5.53789 8.79695 GPRESSURE: 812400 121.839 -27.8985 73.9891 -81.3175 93.8604 -28.2061 82.5561 14.0136 84.9556 PRESSAVG: 812400 24.1442 5.97898 31.6203 5.97892 -76.7055 30.6686 31.6203 30.6685 19.9638 GPRESSAVG: 812400 24.051 6.84269 30.9449 4.30439 -77.7041 29.1951 30.6745 31.9127 20.5481 TIMING: 812400 CPU: 2359.6, 0.00297557/step Wall: 2359.6, 0.00297557/step, 3.46125 hours remaining, 205.218750 MB of memory in use. ENERGY: 812400 707.8050 2118.2475 1964.1063 114.6122 -206152.3971 17965.2958 0.0000 0.0000 34201.9897 -149080.3406 298.6945 -183282.3303 -148986.6604 299.8796 68.1177 100.2183 558403.1978 -10.8658 -11.0350 PRESSURE: 812600 -140.269 -3.9191 -41.4745 -3.91868 -127.273 45.6152 -41.4741 45.6148 -86.2456 GPRESSURE: 812600 -101.977 -33.165 -96.3906 -42.8648 -136.121 -15.3204 -50.9528 25.1888 -20.5565 PRESSAVG: 812600 4.15708 -18.5231 -14.4728 -18.5231 -25.187 -13.3577 -14.4728 -13.3576 55.2399 GPRESSAVG: 812600 3.64277 -18.7973 -16.0771 -15.7015 -25.2604 -12.4574 -11.2494 -14.1204 55.4705 TIMING: 812600 CPU: 2360.18, 0.00290811/step Wall: 2360.18, 0.00290811/step, 3.38261 hours remaining, 205.218750 MB of memory in use. ENERGY: 812600 708.0363 2106.3042 1982.6929 103.8146 -205752.1609 17534.3720 0.0000 0.0000 34358.6356 -148958.3053 300.0625 -183316.9409 -148862.4809 299.2430 -117.9292 -86.2181 560476.8501 11.4033 11.2843 PRESSURE: 812800 140.118 -54.6464 121.149 -54.6469 130.454 97.1076 121.148 97.1085 -117.702 GPRESSURE: 812800 161.228 -97.6384 155.007 -25.5242 139.914 90.0047 82.938 117.475 -51.2059 PRESSAVG: 812800 3.81665 56.4491 20.7524 56.449 -22.5785 45.5426 20.7523 45.5426 -37.5897 GPRESSAVG: 812800 4.85051 55.8722 21.6345 56.2628 -24.707 47.2813 19.5852 44.3115 -36.9237 TIMING: 812800 CPU: 2360.76, 0.00291533/step Wall: 2360.76, 0.00291533/step, 3.39085 hours remaining, 205.218750 MB of memory in use. ENERGY: 812800 751.3762 2128.6540 1964.0549 108.6659 -206378.1087 17974.9863 0.0000 0.0000 34254.0637 -149196.3078 299.1493 -183450.3715 -149101.8440 299.8187 50.9567 83.3118 559286.5113 -18.7839 -18.9267 PRESSURE: 813000 61.1125 31.0027 -75.8148 31.0028 -88.2929 -86.6159 -75.8145 -86.6152 -70.5777 GPRESSURE: 813000 76.1705 -78.3592 -110.279 28.4557 -63.0214 -68.8001 -84.8066 -96.33 -7.28891 PRESSAVG: 813000 -18.8245 17.8167 11.4164 17.8167 -3.80154 11.345 11.4164 11.345 -22.102 GPRESSAVG: 813000 -20.6102 17.9531 12.2774 15.9216 -1.28492 11.8359 9.51353 13.5408 -22.6809 TIMING: 813000 CPU: 2361.35, 0.00290333/step Wall: 2361.35, 0.00290333/step, 3.37673 hours remaining, 205.218750 MB of memory in use. ENERGY: 813000 761.6291 2092.6147 1973.1166 104.6356 -206420.3868 18085.6004 0.0000 0.0000 34284.9381 -149117.8522 299.4189 -183402.7904 -149018.3641 298.9668 -32.5860 1.9534 559140.9346 -14.9093 -14.8587 PRESSURE: 813200 -81.8525 -124.305 -167.893 -124.304 -95.2909 -56.6133 -167.893 -56.6138 -30.6065 GPRESSURE: 813200 -88.7252 -180.771 -232.849 -65.5367 -41.8371 -28.3513 -130.902 46.2419 15.0206 PRESSAVG: 813200 -16.3688 -36.5442 -33.9102 -36.5441 9.58813 -23.6444 -33.9102 -23.6443 -6.79228 GPRESSAVG: 813200 -16.4564 -36.433 -35.7421 -36.2394 9.66498 -22.5596 -30.9357 -25.8759 -6.18742 TIMING: 813200 CPU: 2361.93, 0.00289742/step Wall: 2361.93, 0.00289742/step, 3.3697 hours remaining, 205.218750 MB of memory in use. ENERGY: 813200 770.9865 2122.1644 1959.2525 110.9147 -206049.6861 17722.7919 0.0000 0.0000 34151.6646 -149211.9116 298.2550 -183363.5761 -149115.6954 298.6438 -69.2500 -38.5139 559526.6834 -4.5243 -4.3263 PRESSURE: 813400 74.2223 108.039 -1.59876 108.04 -222.638 84.1996 -1.59918 84.2012 37.4687 GPRESSURE: 813400 61.3096 110.089 -31.3967 77.9112 -173.754 194.029 -54.2935 85.1117 83.8337 PRESSAVG: 813400 5.65077 48.0467 -34.3916 48.0467 -35.687 54.8758 -34.3916 54.8758 7.39836 GPRESSAVG: 813400 6.37547 47.8983 -33.2532 49.029 -36.312 53.927 -33.5676 56.3182 7.47846 TIMING: 813400 CPU: 2362.5, 0.00289558/step Wall: 2362.5, 0.00289558/step, 3.3674 hours remaining, 205.218750 MB of memory in use. ENERGY: 813400 760.1766 2059.9656 1992.6579 109.0129 -206363.8025 17910.3134 0.0000 0.0000 34259.0353 -149272.6409 299.1927 -183531.6762 -149177.4271 298.8251 -36.9823 -9.5368 558423.3557 -7.5459 -7.4860 PRESSURE: 813600 -241.732 243.624 -112.066 243.625 217.279 11.1016 -112.065 11.1023 211.175 GPRESSURE: 813600 -206.669 186.196 -116.402 178.325 190.415 35.8689 -84.7096 -29.9913 293.756 PRESSAVG: 813600 14.4901 30.2042 3.593 30.2042 39.9627 49.1509 3.59299 49.1508 7.11421 GPRESSAVG: 813600 14.0957 30.495 5.71566 30.5893 39.89 47.6245 2.20152 48.0272 7.56276 TIMING: 813600 CPU: 2363.08, 0.00289626/step Wall: 2363.08, 0.00289626/step, 3.36803 hours remaining, 205.218750 MB of memory in use. ENERGY: 813600 670.1623 2083.4005 1975.6854 109.8371 -206286.3069 17929.1809 0.0000 0.0000 34228.2033 -149289.8374 298.9234 -183518.0407 -149192.7565 298.7163 62.2407 92.5006 557326.6268 20.5224 20.5161 PRESSURE: 813800 181.46 81.0696 185.509 81.0696 333.832 -58.7627 185.508 -58.7605 -257.027 GPRESSURE: 813800 248.006 125.772 182.392 142.087 363.097 -110.611 135.812 -68.7422 -253.472 PRESSAVG: 813800 21.3434 50.9638 35.1669 50.9637 -12.0982 -64.4571 35.1669 -64.4569 -13.8501 GPRESSAVG: 813800 21.9876 51.8065 34.3732 51.5523 -12.8527 -63.4797 36.1984 -63.7547 -13.483 TIMING: 813800 CPU: 2363.66, 0.00290559/step Wall: 2363.66, 0.00290559/step, 3.37872 hours remaining, 205.218750 MB of memory in use. ENERGY: 813800 742.1103 2081.7764 1949.2014 121.1047 -206353.3140 17973.3324 0.0000 0.0000 34328.6691 -149157.1198 299.8008 -183485.7889 -149062.6700 298.4460 86.0882 119.2102 557686.5008 -1.5350 -1.4494 PRESSURE: 814000 -185.976 -61.8679 39.0153 -61.8675 79.9926 -12.6174 39.0151 -12.6194 -281.431 GPRESSURE: 814000 -178.955 -124.057 -5.45485 26.4019 56.5811 57.7184 -22.339 -92.8996 -169.984 PRESSAVG: 814000 -49.7791 29.093 24.2205 29.093 44.7214 -2.21091 24.2206 -2.21093 42.5749 GPRESSAVG: 814000 -49.8465 28.8208 22.4316 28.7994 45.651 -2.70575 24.8809 -0.944586 41.7388 TIMING: 814000 CPU: 2364.24, 0.00289648/step Wall: 2364.24, 0.00289648/step, 3.36796 hours remaining, 205.421875 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: 814000 755.3070 2099.6678 1976.1947 114.4606 -206311.5765 17845.6482 0.0000 0.0000 34338.4445 -149181.8537 299.8862 -183520.2982 -149082.9867 299.4957 -129.1379 -97.4527 558647.6610 12.5058 12.5144 PRESSURE: 814200 -146.788 -76.2992 -195.369 -76.3002 18.3892 -45.0069 -195.368 -45.0066 -30.1396 GPRESSURE: 814200 -72.7613 -11.4322 -156.619 -96.5278 49.2991 32.6283 -187.587 -28.9872 -50.3388 PRESSAVG: 814200 -36.4926 -22.0518 -33.7357 -22.0518 -9.0321 34.6496 -33.7357 34.6496 -1.47796 GPRESSAVG: 814200 -38.058 -25.268 -31.7387 -21.3608 -8.63363 35.0095 -35.8045 30.7966 -0.0126747 TIMING: 814200 CPU: 2364.83, 0.00291953/step Wall: 2364.83, 0.00291953/step, 3.3946 hours remaining, 205.421875 MB of memory in use. ENERGY: 814200 756.8397 2081.7646 1945.5789 110.5170 -206255.7221 17748.0112 0.0000 0.0000 34248.3078 -149364.7028 299.0990 -183613.0106 -149274.6191 298.9556 -52.8460 -24.6003 557148.7334 -15.6676 -15.5681 PRESSURE: 814400 -101.534 -79.4671 26.7597 -79.4676 -19.8852 -133.05 26.7595 -133.051 -7.49326 GPRESSURE: 814400 -52.2301 -175.559 -67.2276 -15.5401 55.3523 -157.759 16.838 -147.823 -21.9021 PRESSAVG: 814400 -16.0545 -10.1358 13.7243 -10.1358 5.50971 6.28556 13.7243 6.28569 -6.83543 GPRESSAVG: 814400 -14.3646 -7.19195 12.534 -11.3527 5.62761 6.20359 14.4939 7.1204 -8.71033 TIMING: 814400 CPU: 2365.41, 0.00291722/step Wall: 2365.41, 0.00291722/step, 3.39175 hours remaining, 205.421875 MB of memory in use. ENERGY: 814400 740.7235 2051.2183 1956.9075 104.0441 -206314.6710 17834.9755 0.0000 0.0000 34108.5544 -149518.2477 297.8785 -183626.8022 -149416.3230 298.9372 -42.9707 -6.2599 557272.0322 -5.7934 -5.8158 PRESSURE: 814600 228.505 -37.8861 8.30845 -37.8854 -118.348 204.287 8.30922 204.287 28.6938 GPRESSURE: 814600 254.683 -61.4666 -20.328 -90.4231 -61.3048 160.425 71.1632 199.624 40.9595 PRESSAVG: 814600 -4.38881 -21.6858 13.9282 -21.6857 28.9848 27.3006 13.9281 27.3007 7.72264 GPRESSAVG: 814600 -4.93424 -20.9751 14.3395 -23.8193 28.1554 26.2346 12.6759 27.1208 8.75949 TIMING: 814600 CPU: 2365.99, 0.00289676/step Wall: 2365.99, 0.00289676/step, 3.36781 hours remaining, 205.421875 MB of memory in use. ENERGY: 814600 758.9280 2058.5809 1968.0493 107.4715 -206517.9924 17879.4428 0.0000 0.0000 34221.0992 -149524.4207 298.8614 -183745.5199 -149423.6109 298.3069 46.2838 78.1127 557490.2169 10.7729 10.6602 PRESSURE: 814800 -189.281 -86.983 141.118 -86.9823 -5.46883 -161.679 141.119 -161.679 -16.5396 GPRESSURE: 814800 -139.148 -43.587 233.791 -88.3449 48.4508 -50.8505 149.17 -238.395 -37.0688 PRESSAVG: 814800 25.8788 -6.34502 5.94498 -6.34503 -31.3458 -7.35821 5.94498 -7.35825 42.9082 GPRESSAVG: 814800 25.0391 -7.38096 5.7966 -4.52987 -30.9688 -5.75608 6.11203 -6.93553 43.8399 TIMING: 814800 CPU: 2366.57, 0.00289389/step Wall: 2366.57, 0.00289389/step, 3.36431 hours remaining, 205.421875 MB of memory in use. ENERGY: 814800 750.9373 2065.8904 1971.0600 110.3647 -206341.1006 17861.5451 0.0000 0.0000 34007.8713 -149573.4318 296.9992 -183581.3031 -149480.4181 298.1160 -70.4298 -42.5888 557860.9229 12.4804 12.6367 PRESSURE: 815000 22.2425 -18.4302 67.8628 -18.4302 -148.6 -3.30086 67.8644 -3.3008 -60.3076 GPRESSURE: 815000 28.0165 3.94084 -41.904 -70.171 -117.038 -15.4293 156.048 -8.17034 -4.34171 PRESSAVG: 815000 38.2198 -24.4557 16.8026 -24.4557 -50.1293 -25.7299 16.8026 -25.7299 36.9023 GPRESSAVG: 815000 39.3016 -23.4025 16.9812 -26.3042 -50.2879 -27.2665 18.2494 -24.1813 35.9955 TIMING: 815000 CPU: 2367.15, 0.00288655/step Wall: 2367.15, 0.00288655/step, 3.35561 hours remaining, 205.421875 MB of memory in use. ENERGY: 815000 748.0491 2058.8355 1969.3525 111.1255 -206226.8652 17740.5902 0.0000 0.0000 34132.6281 -149466.2842 298.0887 -183598.9123 -149363.9453 298.0211 -62.2217 -31.1210 557698.4786 8.3310 8.3364 PRESSURE: 815200 -126.31 97.7321 -41.5867 97.7327 -41.9549 -80.1442 -41.586 -80.1465 138.236 GPRESSURE: 815200 -99.7402 117.147 -89.9129 52.272 -17.2985 -21.6217 -43.2132 -81.7952 184.421 PRESSAVG: 815200 -9.17593 23.102 -111.88 23.1021 -61.7614 3.1273 -111.88 3.1273 43.658 GPRESSAVG: 815200 -9.01374 23.1093 -113.149 24.0755 -60.8042 4.41382 -113.207 1.15374 42.7506 TIMING: 815200 CPU: 2367.72, 0.00288211/step Wall: 2367.72, 0.00288211/step, 3.35029 hours remaining, 205.421875 MB of memory in use. ENERGY: 815200 743.4667 2100.1828 1972.0746 117.2365 -206570.7171 17828.9364 0.0000 0.0000 34143.7772 -149665.0427 298.1861 -183808.8200 -149568.4651 297.9881 -10.0095 22.4609 557248.1633 -9.0931 -9.0224 PRESSURE: 815400 -113.767 107.258 -118.221 107.257 -201.77 -29.3375 -118.222 -29.3401 -102.884 GPRESSURE: 815400 -85.5038 107.24 -171.389 151.482 -154.072 5.48669 -164.784 -50.2658 -70.1251 PRESSAVG: 815400 -23.3542 58.615 -64.4785 58.615 -59.0575 21.0624 -64.4785 21.0623 71.8896 GPRESSAVG: 815400 -24.4703 58.4678 -64.4807 58.7607 -59.3761 21.1307 -63.5474 20.4245 72.6464 TIMING: 815400 CPU: 2368.3, 0.0029008/step Wall: 2368.3, 0.0029008/step, 3.37186 hours remaining, 205.421875 MB of memory in use. ENERGY: 815400 750.8294 2066.1199 1955.5325 123.3541 -206563.0104 17784.1077 0.0000 0.0000 34178.5135 -149704.5532 298.4895 -183883.0667 -149609.0376 298.2917 -139.4737 -103.2335 556731.8769 -3.5074 -3.7333 PRESSURE: 815600 92.6666 -96.0387 5.62097 -96.0401 170.187 -147.137 5.62153 -147.137 228.815 GPRESSURE: 815600 224.087 -90.1685 115.79 -145.872 143.351 -149.853 -34.0784 -179.126 230.696 PRESSAVG: 815600 30.6531 -8.2904 -59.8728 -8.29041 -78.1645 -29.7389 -59.8729 -29.7388 55.8218 GPRESSAVG: 815600 30.3457 -9.18193 -59.6435 -9.0387 -78.2371 -30.3687 -59.2064 -29.2476 56.4984 TIMING: 815600 CPU: 2368.88, 0.00289735/step Wall: 2368.88, 0.00289735/step, 3.36768 hours remaining, 205.421875 MB of memory in use. ENERGY: 815600 757.2693 2053.2189 1982.3141 116.2778 -206957.7458 18235.5690 0.0000 0.0000 34255.5189 -149557.5779 299.1620 -183813.0967 -149457.1424 298.7607 163.8897 199.3779 555392.7633 2.7701 2.8690 PRESSURE: 815800 -316.422 193.429 171.535 193.43 -376.639 21.7866 171.535 21.7865 90.8765 GPRESSURE: 815800 -235.712 111.769 203.305 156.08 -385.775 32.2107 165.791 -30.6035 111.291 PRESSAVG: 815800 -7.20896 51.0339 6.40513 51.0339 -130.465 11.0637 6.40525 11.0636 82.4676 GPRESSAVG: 815800 -6.7876 51.8869 8.67351 50.6712 -130.176 9.51665 5.37848 11.8724 82.0238 TIMING: 815800 CPU: 2369.46, 0.00289579/step Wall: 2369.46, 0.00289579/step, 3.36571 hours remaining, 205.421875 MB of memory in use. ENERGY: 815800 726.4613 2063.2131 1965.2144 107.8620 -206090.7140 17591.8161 0.0000 0.0000 34031.1295 -149605.0176 297.2023 -183636.1471 -149510.8881 298.2687 -200.7283 -170.0649 557803.7409 -18.4021 -18.3133 PRESSURE: 816000 -190.433 -39.5654 72.4744 -39.5665 4.32477 -175.13 72.4736 -175.131 116.237 GPRESSURE: 816000 -109.876 27.3173 -10.1701 -20.5254 36.3639 -135.467 120.965 -146.142 89.4545 PRESSAVG: 816000 4.12184 29.7984 -20.7765 29.7983 -28.4044 -8.4421 -20.7765 -8.44198 4.95169 GPRESSAVG: 816000 4.69371 28.8958 -21.371 31.5747 -29.1338 -5.51934 -20.5344 -8.41916 5.80703 TIMING: 816000 CPU: 2370.04, 0.00288785/step Wall: 2370.04, 0.00288785/step, 3.35632 hours remaining, 205.421875 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: 816000 758.5877 2074.3057 1971.8474 114.8011 -206636.2704 18002.6319 0.0000 0.0000 34257.6043 -149456.4923 299.1802 -183714.0966 -149363.5877 298.5190 -23.2903 5.3143 557083.4296 -6.4436 -6.2110 PRESSURE: 816200 -2.66343 -89.7263 -50.5243 -89.7257 -12.5606 -110.956 -50.5249 -110.956 62.265 GPRESSURE: 816200 -17.1364 -137.704 -34.6577 -61.1949 99.8966 -151.351 -83.7542 -127.846 49.3982 PRESSAVG: 816200 -42.5466 40.8761 -45.0968 40.876 -3.18586 -21.4872 -45.0968 -21.4871 46.4864 GPRESSAVG: 816200 -43.1729 41.442 -44.192 40.2013 -2.6087 -23.4032 -44.2463 -22.8903 46.4214 TIMING: 816200 CPU: 2370.62, 0.00288846/step Wall: 2370.62, 0.00288846/step, 3.35688 hours remaining, 205.421875 MB of memory in use. ENERGY: 816200 765.4197 2080.0261 1976.5317 123.1039 -205949.9759 17729.7796 0.0000 0.0000 33908.3404 -149366.7746 296.1300 -183275.1149 -149266.6679 298.4005 15.6803 44.0528 557609.3634 0.2513 0.2132 LDB: ============= START OF LOAD BALANCING ============== 2374.08 LDB: ============== END OF LOAD BALANCING =============== 2374.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2374.08 LDB: ============= START OF LOAD BALANCING ============== 2374.37 LDB: Largest compute 4827 load 0.028817 is 24.5% of average load 0.117520 LDB: Average compute 0.001743 is 1.5% of average load 0.117520 LDB: TIME 2374.37 LOAD: AVG 0.11752 MAX 0.17793 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.766 MB LDB: TIME 2374.37 LOAD: AVG 0.11752 MAX 0.17793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: TIME 2374.37 LOAD: AVG 0.11752 MAX 0.17793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: ============== END OF LOAD BALANCING =============== 2374.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2374.38 PRESSURE: 816400 66.7912 -179.666 130.521 -179.666 -96.7517 170.284 130.52 170.284 -118.52 GPRESSURE: 816400 76.9063 -193.972 45.1805 -196.821 -84.9431 202.674 202.795 138.14 -48.639 PRESSAVG: 816400 25.8438 -19.3787 -8.6475 -19.3787 -10.415 18.7112 -8.64754 18.7113 6.32845 GPRESSAVG: 816400 25.8142 -19.3428 -8.86468 -19.5595 -10.0272 20.5815 -9.14188 18.0351 6.4842 TIMING: 816400 CPU: 2371.2, 0.00293266/step Wall: 2371.2, 0.00293266/step, 3.40808 hours remaining, 203.929688 MB of memory in use. ENERGY: 816400 770.2978 2053.4914 1964.6676 120.1365 -206340.0515 17840.5721 0.0000 0.0000 34240.5145 -149350.3715 299.0309 -183590.8860 -149261.1615 298.7069 -49.4934 -18.8920 557613.5142 7.2524 7.4237 PRESSURE: 816600 -16.4731 10.5775 56.2196 10.5764 35.6048 29.5548 56.22 29.5548 290.854 GPRESSURE: 816600 91.733 -124.8 26.8871 15.8241 54.9938 0.874857 28.7621 25.591 255.472 PRESSAVG: 816600 -4.72707 8.41254 4.3399 8.41256 17.8158 -27.3061 4.33987 -27.3062 8.14006 GPRESSAVG: 816600 -3.25371 6.56871 3.77547 9.90281 17.576 -28.7962 5.29787 -25.5091 6.74313 TIMING: 816600 CPU: 2371.79, 0.00291029/step Wall: 2371.79, 0.00291029/step, 3.38192 hours remaining, 204.132812 MB of memory in use. ENERGY: 816600 727.4498 2128.6825 1969.4297 107.1138 -206134.2873 17771.8492 0.0000 0.0000 34159.5322 -149270.2301 298.3237 -183429.7623 -149171.0807 298.6059 103.3284 134.0662 557268.7993 7.0763 7.0218 PRESSURE: 816800 127.575 38.424 -18.2439 38.424 2.68112 -102.744 -18.2437 -102.743 -62.5057 GPRESSURE: 816800 194.056 32.6633 -79.8744 -6.92125 3.92705 -79.783 52.516 -117.905 -39.4402 PRESSAVG: 816800 30.7032 0.676711 -22.3337 0.676713 -17.0201 25.9605 -22.3337 25.9604 -4.93434 GPRESSAVG: 816800 29.6579 3.78499 -22.1268 -1.22697 -16.226 26.728 -23.0901 24.615 -4.26824 TIMING: 816800 CPU: 2372.37, 0.00289838/step Wall: 2372.37, 0.00289838/step, 3.36792 hours remaining, 204.132812 MB of memory in use. ENERGY: 816800 733.0318 2152.4335 1964.5884 129.9098 -206064.2339 17836.7636 0.0000 0.0000 34024.5216 -149222.9852 297.1446 -183247.5068 -149131.5542 298.7958 22.5836 52.8476 558765.8957 2.9163 3.0546 PRESSURE: 817000 -5.86692 -58.779 81.3909 -58.7783 -16.6227 7.38443 81.3901 7.38536 -169.122 GPRESSURE: 817000 49.592 -50.0477 30.6848 -41.4829 24.8508 -22.3094 137.112 33.8039 -165.325 PRESSAVG: 817000 6.48467 3.72442 12.1402 3.72444 2.92494 20.1476 12.1402 20.1476 -8.56721 GPRESSAVG: 817000 7.44008 0.911541 10.5842 5.55474 3.12588 19.8698 12.6014 20.5062 -8.84567 TIMING: 817000 CPU: 2372.94, 0.00289776/step Wall: 2372.94, 0.00289776/step, 3.36703 hours remaining, 204.132812 MB of memory in use. ENERGY: 817000 754.7136 2112.4307 1967.7538 104.4873 -206500.0155 17988.7127 0.0000 0.0000 34431.5995 -149140.3179 300.6997 -183571.9173 -149041.4550 299.7035 -63.8706 -30.2942 557868.6274 0.2808 0.5734 PRESSURE: 817200 43.7248 -103.204 203.544 -103.204 23.2981 -46.2353 203.543 -46.2353 -68.8355 GPRESSURE: 817200 41.3714 -71.4347 241.667 -106.865 32.1792 -73.121 167.031 -22.6875 19.3983 PRESSAVG: 817200 -9.18986 6.92089 13.5236 6.92092 2.56466 -30.2999 13.5234 -30.3 11.6184 GPRESSAVG: 817200 -8.76331 9.46641 14.8013 4.64795 1.76025 -32.6416 11.8292 -29.7505 11.6381 TIMING: 817200 CPU: 2373.52, 0.00289008/step Wall: 2373.52, 0.00289008/step, 3.35796 hours remaining, 204.132812 MB of memory in use. ENERGY: 817200 731.4552 2066.5570 1975.8558 126.5046 -206248.3367 17773.6350 0.0000 0.0000 34452.1878 -149122.1412 300.8795 -183574.3290 -149027.6392 299.8251 -0.6042 30.9829 557298.9718 1.6644 1.5450 PRESSURE: 817400 -142.138 -13.686 0.860508 -13.6859 -155.158 104.324 0.859818 104.323 -143.745 GPRESSURE: 817400 -107.083 19.5007 0.765915 -36.9591 -100.93 167.858 15.0533 192.319 -131.306 PRESSAVG: 817400 -16.7734 12.6005 11.6335 12.6005 25.5839 28.3324 11.6335 28.3324 -10.4069 GPRESSAVG: 817400 -17.2491 12.7572 11.4375 12.6897 26.4857 32.0339 13.3177 27.7902 -11.1022 TIMING: 817400 CPU: 2374.11, 0.00292534/step Wall: 2374.11, 0.00292534/step, 3.39876 hours remaining, 204.132812 MB of memory in use. ENERGY: 817400 786.8308 2078.8188 1956.7485 113.0571 -206135.5583 17697.6005 0.0000 0.0000 34449.0995 -149053.4031 300.8526 -183502.5026 -148959.4496 299.8707 -147.0137 -113.1064 557029.0773 -0.5321 -0.6219 PRESSURE: 817600 63.9273 17.2174 206.355 17.2169 59.2291 21.1226 206.354 21.1226 67.431 GPRESSURE: 817600 116.756 29.688 134.893 8.61097 70.4709 99.8273 221.894 -39.3286 99.6068 PRESSAVG: 817600 40.3323 39.301 10.0141 39.301 -50.8364 9.17339 10.014 9.17355 -12.462 GPRESSAVG: 817600 39.4767 36.2596 8.82001 40.7987 -50.5004 9.39644 10.9537 11.0407 -12.2006 TIMING: 817600 CPU: 2374.69, 0.00292407/step Wall: 2374.69, 0.00292407/step, 3.39712 hours remaining, 204.132812 MB of memory in use. ENERGY: 817600 734.6844 2078.8913 1974.1224 104.8751 -206287.3850 18025.1617 0.0000 0.0000 34162.6842 -149206.9659 298.3512 -183369.6501 -149110.7391 300.2119 63.5291 95.6113 557588.6530 -7.6554 -7.7414 PRESSURE: 817800 17.3086 -83.8933 -20.7082 -83.8934 -351.946 142.38 -20.7094 142.379 70.3334 GPRESSURE: 817800 54.6415 -195.661 -61.469 -19.7585 -309.344 129.152 16.4314 183.252 88.129 PRESSAVG: 817800 19.2584 -28.9308 -31.6378 -28.9308 -17.4042 87.8807 -31.6378 87.8807 -7.94339 GPRESSAVG: 817800 19.8374 -26.2245 -30.9029 -29.9086 -18.748 86.9266 -32.3224 86.2549 -7.33288 TIMING: 817800 CPU: 2375.27, 0.00289676/step Wall: 2375.27, 0.00289676/step, 3.36523 hours remaining, 204.132812 MB of memory in use. ENERGY: 817800 754.9074 2096.2997 1965.9035 107.7695 -206008.2403 17611.3638 0.0000 0.0000 34210.3147 -149261.6817 298.7672 -183471.9964 -149160.0708 298.6872 -88.1012 -55.5246 557928.4084 -2.0298 -2.0812 PRESSURE: 818000 -40.8125 -116.779 -9.71548 -116.781 125.759 -26.16 -9.71467 -26.1621 -101.927 GPRESSURE: 818000 29.962 -137.212 5.08406 -114.241 125.741 -10.5877 6.34064 -50.7042 -65.277 PRESSAVG: 818000 17.9316 -47.8267 -1.2888 -47.8267 16.1659 -1.45916 -1.28874 -1.45921 -11.7758 GPRESSAVG: 818000 16.7645 -47.9993 -0.996333 -46.1071 16.5746 -2.03401 -2.62836 -0.766192 -10.8872 TIMING: 818000 CPU: 2375.85, 0.00289228/step Wall: 2375.85, 0.00289228/step, 3.35987 hours remaining, 204.132812 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: 818000 746.2005 2061.6686 1979.2101 116.0226 -206258.2118 17756.2737 0.0000 0.0000 34251.8154 -149347.0210 299.1296 -183598.8364 -149249.8050 298.8207 -5.6602 30.1421 555563.7592 7.4406 7.4840 PRESSURE: 818200 -112.172 231.495 35.2518 231.495 -217.209 80.8084 35.2514 80.8092 -99.0822 GPRESSURE: 818200 -26.2654 183.563 -19.0438 189.133 -217.086 28.4047 160.896 131.314 -93.5182 PRESSAVG: 818200 3.56511 11.8023 -29.993 11.8022 -7.93962 -37.8021 -29.993 -37.8021 2.30128 GPRESSAVG: 818200 5.08498 10.5174 -30.3104 10.9223 -7.17875 -37.8824 -28.9046 -35.3371 0.553827 TIMING: 818200 CPU: 2376.43, 0.00290865/step Wall: 2376.43, 0.00290865/step, 3.37872 hours remaining, 204.132812 MB of memory in use. ENERGY: 818200 757.9522 2098.3220 1983.9952 106.1411 -206059.2160 17751.6601 0.0000 0.0000 33955.0537 -149406.0916 296.5379 -183361.1453 -149312.9109 299.0276 -142.8209 -112.2900 556859.6437 -0.6911 -0.5133 PRESSURE: 818400 -44.5249 -49.1909 -50.1836 -49.1911 -110.157 114.585 -50.1824 114.585 -74.1053 GPRESSURE: 818400 -1.45198 -100.478 -53.2181 -60.0779 -50.7002 58.6455 -85.2214 144.609 -91.5506 PRESSAVG: 818400 47.1979 -9.28401 28.025 -9.28399 28.7316 48.304 28.0249 48.3039 -59.9706 GPRESSAVG: 818400 47.0601 -8.07591 26.8503 -11.6976 28.0701 50.0436 27.3399 43.3176 -59.6252 TIMING: 818400 CPU: 2377.01, 0.00290609/step Wall: 2377.01, 0.00290609/step, 3.37558 hours remaining, 204.191406 MB of memory in use. ENERGY: 818400 722.7116 2033.0690 1960.1984 107.1083 -205947.9552 17619.9650 0.0000 0.0000 34334.0537 -149170.8492 299.8478 -183504.9029 -149077.7089 298.7857 -76.2625 -47.9009 557173.0494 5.3196 5.1683 PRESSURE: 818600 -91.1927 67.7314 -61.6942 67.73 -93.4742 326.16 -61.6928 326.16 -19.824 GPRESSURE: 818600 -41.3956 105.793 18.1466 62.1293 -135.785 299.795 -66.5198 364.424 69.4671 PRESSAVG: 818600 -28.5275 8.61973 -29.1812 8.61979 -27.2507 31.8192 -29.1813 31.8192 45.2418 GPRESSAVG: 818600 -29.1596 8.86713 -28.8619 10.9638 -27.8854 31.3401 -30.3152 36.2018 46.7909 TIMING: 818600 CPU: 2377.59, 0.00287668/step Wall: 2377.59, 0.00287668/step, 3.34126 hours remaining, 204.191406 MB of memory in use. ENERGY: 818600 734.8719 2080.0105 2004.0943 116.6385 -206098.7964 17647.9402 0.0000 0.0000 34281.0110 -149234.2301 299.3846 -183515.2411 -149147.1083 299.4321 -68.1636 -35.9047 557110.1598 -3.5121 -3.4180 PRESSURE: 818800 -98.0931 116.217 -126.61 116.218 -394.592 -105.743 -126.61 -105.744 -285.304 GPRESSURE: 818800 -92.6921 52.6679 -152.747 111.808 -334.558 -19.913 -102.413 -133.126 -261.977 PRESSAVG: 818800 -3.28989 2.39548 -34.6959 2.39555 16.4001 17.4935 -34.6958 17.4935 9.90763 GPRESSAVG: 818800 -2.36357 1.34095 -32.927 3.55428 16.0715 16.0698 -34.4631 15.9641 9.01747 TIMING: 818800 CPU: 2378.17, 0.00289972/step Wall: 2378.17, 0.00289972/step, 3.36787 hours remaining, 204.191406 MB of memory in use. ENERGY: 818800 795.6972 2100.5434 1972.2011 110.7243 -206044.3448 17555.7864 0.0000 0.0000 34169.9283 -149339.4641 298.4145 -183509.3924 -149238.1658 299.7005 -259.3296 -229.7422 556454.0263 7.6726 7.5751 PRESSURE: 819000 266.335 -186.205 38.4587 -186.205 132.885 -3.30079 38.4577 -3.30098 265.772 GPRESSURE: 819000 344.716 -183.794 17.9265 -188.337 104.512 -78.1749 87.5371 110.652 316.716 PRESSAVG: 819000 53.06 -15.9686 -40.7395 -15.9687 -48.4614 17.7927 -40.7395 17.7926 33.6691 GPRESSAVG: 819000 52.6621 -15.6108 -41.5938 -16.2008 -47.1371 19.6466 -38.5869 17.1663 33.4782 TIMING: 819000 CPU: 2378.75, 0.00292089/step Wall: 2378.75, 0.00292089/step, 3.39229 hours remaining, 204.191406 MB of memory in use. ENERGY: 819000 733.7053 2130.1637 1994.7739 109.1545 -206482.5852 18142.0249 0.0000 0.0000 34207.1140 -149165.6490 298.7392 -183372.7629 -149071.9739 298.9753 221.6640 255.3146 556524.4310 12.7559 13.0011 PRESSURE: 819200 -99.2901 44.0034 -105.31 44.0028 -184.71 111.839 -105.309 111.841 177.87 GPRESSURE: 819200 -48.2218 41.0154 -114.602 52.1245 -167.051 149.025 -91.8398 95.6975 217.17 PRESSAVG: 819200 33.2601 1.41146 -19.9527 1.41145 -23.6324 0.0115293 -19.9528 0.0115182 -15.79 GPRESSAVG: 819200 34.9285 0.152477 -20.2793 0.810597 -25.0973 -1.26955 -19.9334 2.658 -15.7123 TIMING: 819200 CPU: 2379.34, 0.00293652/step Wall: 2379.34, 0.00293652/step, 3.41028 hours remaining, 204.191406 MB of memory in use. ENERGY: 819200 755.2577 2127.7984 1964.9099 114.2189 -205922.4144 17735.3887 0.0000 0.0000 34123.8924 -149100.9484 298.0124 -183224.8408 -149004.9646 299.9457 -35.3766 0.6327 558607.8624 -2.0541 -1.9604 PRESSURE: 819400 139.618 3.69535 72.4483 3.69501 38.1666 223.716 72.4492 223.718 79.9257 GPRESSURE: 819400 166.623 30.7748 83.8334 95.3388 80.9089 180.015 107.691 156.249 112.157 PRESSAVG: 819400 -4.72514 -4.32354 -20.4774 -4.32354 15.9602 2.09281 -20.4773 2.0928 -32.8625 GPRESSAVG: 819400 -6.28136 -3.61856 -22.1248 -4.41438 17.453 3.70524 -19.491 -0.963316 -32.3985 TIMING: 819400 CPU: 2379.92, 0.00290847/step Wall: 2379.92, 0.00290847/step, 3.37754 hours remaining, 204.191406 MB of memory in use. ENERGY: 819400 756.4401 2090.4226 1939.1287 118.4837 -206297.8826 17867.2730 0.0000 0.0000 34385.2021 -149140.9325 300.2945 -183526.1346 -149039.6340 299.9976 85.9033 119.8964 556492.5839 -7.2092 -7.0756 PRESSURE: 819600 5.77546 92.3463 -47.2897 92.3463 -176.918 -5.44934 -47.2888 -5.44973 -105.909 GPRESSURE: 819600 53.0289 105.24 -108.68 75.1254 -146.586 -51.6866 -56.2651 -122.657 -87.7863 PRESSAVG: 819600 23.157 36.3862 18.5644 36.3863 5.64511 -9.23497 18.5644 -9.23502 8.34215 GPRESSAVG: 819600 23.8428 38.3102 21.023 35.2602 4.93756 -8.77854 15.8684 -10.2967 8.20618 TIMING: 819600 CPU: 2380.5, 0.00289758/step Wall: 2380.5, 0.00289758/step, 3.36473 hours remaining, 204.191406 MB of memory in use. ENERGY: 819600 753.4854 2068.4844 1944.6198 127.4615 -205938.0415 17642.6542 0.0000 0.0000 34199.2806 -149202.0558 298.6708 -183401.3363 -149105.3803 299.8942 -92.3506 -60.4479 556516.0253 12.3814 12.3288 PRESSURE: 819800 -123.581 83.5256 22.1202 83.5244 -12.8928 -19.4374 22.12 -19.4388 -145.271 GPRESSURE: 819800 -105.299 60.5515 95.8983 70.9709 7.14878 37.3319 57.7851 -73.8256 -88.2318 PRESSAVG: 819800 -12.6521 -67.4043 -8.81409 -67.4044 -29.4527 -2.97524 -8.81405 -2.97526 0.593898 GPRESSAVG: 819800 -12.6691 -71.2903 -9.18339 -64.8917 -29.9039 -2.09613 -7.32418 -2.7066 0.815986 TIMING: 819800 CPU: 2381.08, 0.0028783/step Wall: 2381.08, 0.0028783/step, 3.34219 hours remaining, 204.191406 MB of memory in use. ENERGY: 819800 766.5531 2078.3904 1989.0844 120.4724 -206122.5706 17663.5268 0.0000 0.0000 34333.1266 -149171.4170 299.8397 -183504.5436 -149078.2690 299.1593 -93.9148 -62.1274 556490.3521 -13.8370 -13.9190 PRESSURE: 820000 -55.7067 -55.9747 -50.5593 -55.975 246.281 95.5334 -50.5583 95.533 -47.9315 GPRESSURE: 820000 -18.4935 -71.419 -37.8013 -70.1329 274.412 87.7841 -38.7617 59.0429 -15.246 PRESSAVG: 820000 -2.47164 47.0263 20.7195 47.0263 8.13097 29.4035 20.7195 29.4035 9.12718 GPRESSAVG: 820000 -2.72736 49.3226 23.2804 45.5184 7.26844 27.9027 17.6444 30.4494 10.2745 TIMING: 820000 CPU: 2381.66, 0.00290635/step Wall: 2381.66, 0.00290635/step, 3.37459 hours remaining, 204.191406 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: 820000 741.6777 2111.5100 1962.4932 111.7492 -206068.2262 17710.8404 0.0000 0.0000 34234.4204 -149195.5353 298.9777 -183429.9556 -149100.0026 299.1127 47.5478 80.2242 555552.7781 4.9288 4.9385 PRESSURE: 820200 131.031 -159.558 103.664 -159.558 -147.056 148.501 103.665 148.502 161.207 GPRESSURE: 820200 200.653 -183.043 123.278 -106.987 -63.0229 148.674 171.627 164.654 102.695 PRESSAVG: 820200 12.8165 14.923 2.77598 14.9227 23.4279 -14.1612 2.77603 -14.1613 3.74255 GPRESSAVG: 820200 13.3271 14.5619 0.459925 15.844 24.1511 -14.7786 6.12956 -13.5654 2.83479 TIMING: 820200 CPU: 2382.24, 0.00290241/step Wall: 2382.24, 0.00290241/step, 3.36986 hours remaining, 204.191406 MB of memory in use. ENERGY: 820200 750.3415 2072.2352 1951.3946 101.4886 -206344.2200 17920.3382 0.0000 0.0000 34498.6718 -149049.7501 301.2855 -183548.4219 -148949.9793 299.8233 48.3940 80.1085 556451.6950 13.3290 13.4376 LDB: ============= START OF LOAD BALANCING ============== 2385.71 LDB: ============== END OF LOAD BALANCING =============== 2385.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2385.71 LDB: ============= START OF LOAD BALANCING ============== 2386 LDB: Largest compute 4820 load 0.027306 is 23.2% of average load 0.117636 LDB: Average compute 0.001742 is 1.5% of average load 0.117636 LDB: TIME 2386.01 LOAD: AVG 0.117636 MAX 0.177855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.395 MB LDB: TIME 2386.01 LOAD: AVG 0.117636 MAX 0.177855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 2386.01 LOAD: AVG 0.117636 MAX 0.177855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2386.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2386.01 PRESSURE: 820400 -28.7333 149.679 39.8573 149.677 89.267 74.657 39.8571 74.6586 -247.703 GPRESSURE: 820400 17.54 105.095 20.5186 181.634 127.097 92.6842 76.2253 32.4 -227.815 PRESSAVG: 820400 23.9891 49.1922 -29.145 49.1922 -33.8605 52.0538 -29.1451 52.0538 13.7969 GPRESSAVG: 820400 24.3488 50.0784 -28.8496 49.8599 -33.3598 53.0105 -31.1062 52.4865 13.2988 TIMING: 820400 CPU: 2382.84, 0.00299275/step Wall: 2382.84, 0.00299275/step, 3.47459 hours remaining, 204.757812 MB of memory in use. ENERGY: 820400 714.9567 2059.4178 1984.1023 118.2698 -206026.2556 17742.7396 0.0000 0.0000 34339.8308 -149066.9385 299.8983 -183406.7693 -148972.1450 300.0335 -62.3898 -27.7261 557900.4541 1.3085 1.4293 PRESSURE: 820600 -151.891 200.411 -3.90804 200.411 -74.2332 -64.9903 -3.90833 -64.9906 -133.408 GPRESSURE: 820600 -151.217 258.525 -26.2757 224.341 -74.5363 -150.64 0.150621 -8.49929 -36.6031 PRESSAVG: 820600 -12.0326 -7.54511 -19.0707 -7.5452 36.6478 16.7505 -19.0706 16.7506 -35.9369 GPRESSAVG: 820600 -13.3852 -7.46949 -20.3545 -6.47163 37.6151 16.8424 -18.9506 15.6855 -35.5744 TIMING: 820600 CPU: 2383.42, 0.00292257/step Wall: 2383.42, 0.00292257/step, 3.39294 hours remaining, 204.796875 MB of memory in use. ENERGY: 820600 727.0867 2081.6516 1982.4948 105.6503 -205662.9110 17503.0365 0.0000 0.0000 34126.5036 -149136.4875 298.0352 -183262.9911 -149037.8969 299.5122 -119.8440 -87.4523 558587.3342 -3.7739 -3.7815 PRESSURE: 820800 223.67 -57.9158 6.90176 -57.9162 -220.943 149.971 6.90218 149.97 -146.866 GPRESSURE: 820800 284.015 -69.2385 37.965 -7.23134 -219.408 173.616 30.9703 159.518 -115.153 PRESSAVG: 820800 -10.2554 13.0683 19.9335 13.0683 -15.2051 -20.1044 19.9334 -20.1043 -24.1326 GPRESSAVG: 820800 -8.05989 13.6799 19.062 11.0364 -16.7738 -20.853 21.1542 -20.3668 -24.653 TIMING: 820800 CPU: 2384, 0.00289627/step Wall: 2384, 0.00289627/step, 3.36225 hours remaining, 204.921875 MB of memory in use. ENERGY: 820800 739.6871 2080.7857 1993.4097 112.4473 -206303.8078 17920.2051 0.0000 0.0000 34310.8739 -149146.3991 299.6454 -183457.2730 -149054.7873 299.7078 -48.0463 -16.8488 556848.7997 -16.5310 -16.4956 PRESSURE: 821000 13.9043 -186.805 -138.963 -186.807 99.5744 111.778 -138.962 111.779 -130.256 GPRESSURE: 821000 30.0949 -154.084 -104.747 -110.43 140.975 125.078 -161.424 84.2059 -107.929 PRESSAVG: 821000 31.7872 -33.9693 -21.3001 -33.9693 15.1819 83.2938 -21.3001 83.2937 -10.9418 GPRESSAVG: 821000 30.6297 -34.8973 -18.4894 -33.0214 16.1867 83.6497 -21.7055 83.4995 -11.0317 TIMING: 821000 CPU: 2384.58, 0.00287532/step Wall: 2384.58, 0.00287532/step, 3.33776 hours remaining, 204.921875 MB of memory in use. ENERGY: 821000 749.8552 2131.1393 1986.3672 118.7189 -206281.9848 17799.3161 0.0000 0.0000 34360.0884 -149136.4997 300.0752 -183496.5881 -149038.8049 298.6252 -5.5925 21.0471 558596.6048 12.0091 11.9282 PRESSURE: 821200 -105.765 -59.0724 -8.63838 -59.0709 26.9707 75.0107 -8.63812 75.0099 -134.119 GPRESSURE: 821200 -71.6515 -6.8873 -60.322 -93.3776 26.4343 19.5438 -12.8782 141.148 -47.7923 PRESSAVG: 821200 -46.4617 10.9787 -40.7174 10.9787 1.38765 0.851636 -40.7174 0.851743 27.7712 GPRESSAVG: 821200 -47.1711 12.0565 -42.1597 9.44105 0.853846 0.408848 -40.9763 1.78675 28.8878 TIMING: 821200 CPU: 2385.15, 0.00289258/step Wall: 2385.15, 0.00289258/step, 3.35764 hours remaining, 204.992188 MB of memory in use. ENERGY: 821200 759.8629 2158.8845 1963.0023 119.4345 -206229.1338 17818.0875 0.0000 0.0000 34271.9810 -149137.8811 299.3057 -183409.8621 -149039.9936 299.6385 -70.9711 -31.0032 558862.3971 -5.7676 -5.8098 PRESSURE: 821400 -308.205 -78.9341 19.6475 -78.9338 -49.9542 136.576 19.6477 136.577 -67.1342 GPRESSURE: 821400 -263.989 -80.0713 7.23165 -93.5639 -15.4042 98.1574 48.8806 60.1189 -50.2447 PRESSAVG: 821400 15.0855 16.399 18.1076 16.399 -21.4937 20.6847 18.1076 20.6848 -49.4034 GPRESSAVG: 821400 16.0169 17.1398 18.255 18.9521 -21.6912 22.0548 18.2151 19.8342 -50.5128 TIMING: 821400 CPU: 2385.74, 0.00290179/step Wall: 2385.74, 0.00290179/step, 3.36817 hours remaining, 204.992188 MB of memory in use. ENERGY: 821400 784.5882 2122.0953 1959.8602 132.4992 -205669.5745 17520.3311 0.0000 0.0000 34171.7783 -148978.4222 298.4306 -183150.2004 -148886.6820 299.4608 -141.7644 -109.8794 559294.2859 -18.6039 -18.7290 PRESSURE: 821600 -11.9664 -12.5406 -201.863 -12.5409 83.5662 -223.532 -201.863 -223.533 -219.279 GPRESSURE: 821600 22.6614 -0.784502 -212.654 -43.4548 112.33 -173.402 -246.946 -234.869 -183.146 PRESSAVG: 821600 -51.4848 -38.909 -24.5806 -38.9091 46.5676 -1.82889 -24.5805 -1.82891 0.768978 GPRESSAVG: 821600 -50.9872 -39.4542 -23.6008 -39.979 45.8122 -2.11052 -26.6835 -0.996861 0.999795 TIMING: 821600 CPU: 2386.32, 0.00291558/step Wall: 2386.32, 0.00291558/step, 3.38402 hours remaining, 204.992188 MB of memory in use. ENERGY: 821600 748.8257 2124.4207 1949.1952 121.1138 -205965.0664 17747.7246 0.0000 0.0000 34279.5225 -148994.2639 299.3716 -183273.7864 -148899.7975 299.7490 -49.2263 -16.0516 557329.1795 -1.3827 -1.3918 PRESSURE: 821800 -207.05 47.7622 3.00851 47.762 138.769 50.9454 3.00897 50.9455 -117.775 GPRESSURE: 821800 -198.946 36.6439 -11.6397 -5.34175 176.357 37.0445 0.865199 103.814 -70.3925 PRESSAVG: 821800 12.2271 0.230714 -0.68788 0.23079 29.2667 18.0811 -0.687818 18.081 -41.2229 GPRESSAVG: 821800 10.5789 -0.318393 -1.23188 -0.976682 30.8352 15.8696 -0.624503 20.9117 -41.3431 TIMING: 821800 CPU: 2386.9, 0.00292953/step Wall: 2386.9, 0.00292953/step, 3.40005 hours remaining, 204.992188 MB of memory in use. ENERGY: 821800 780.9796 2185.5538 1985.0406 118.8830 -206038.9796 17687.5693 0.0000 0.0000 34403.9305 -148877.0229 300.4581 -183280.9534 -148787.4271 300.4675 -62.0188 -30.9941 558076.3133 0.0903 0.0236 PRESSURE: 822000 72.8309 -15.9759 -19.7703 -15.9765 272.648 11.9825 -19.7695 11.9834 76.9983 GPRESSURE: 822000 103.52 -68.6906 26.0219 -53.8631 294.522 -10.7535 -27.4405 -8.96755 129.983 PRESSAVG: 822000 -15.9477 1.15102 -69.404 1.15098 69.455 28.3305 -69.404 28.3306 -1.79444 GPRESSAVG: 822000 -14.9298 0.190639 -70.0171 1.45187 68.5508 30.313 -67.8343 26.3774 -1.59578 TIMING: 822000 CPU: 2387.49, 0.00292108/step Wall: 2387.49, 0.00292108/step, 3.39008 hours remaining, 204.992188 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: 822000 764.3116 2128.4399 1960.5860 109.1439 -206138.5499 17927.2541 0.0000 0.0000 34330.3687 -148918.4457 299.8156 -183248.8144 -148819.5669 299.7120 140.8258 176.0082 556077.1616 17.2376 17.3417 PRESSURE: 822200 -364.856 11.6833 -128.408 11.6836 -89.1336 208.709 -128.407 208.71 -259.719 GPRESSURE: 822200 -320.485 -24.4461 -229.623 54.4084 -80.2781 317.886 -103.923 166.808 -229.129 PRESSAVG: 822200 -9.22263 29.5089 -91.6233 29.509 60.16 60.1149 -91.6234 60.1149 -49.614 GPRESSAVG: 822200 -9.5157 29.0217 -90.6788 30.129 59.8056 59.2412 -91.5038 61.6339 -49.0154 TIMING: 822200 CPU: 2388.07, 0.00292225/step Wall: 2388.07, 0.00292225/step, 3.39128 hours remaining, 204.992188 MB of memory in use. ENERGY: 822200 782.3644 2127.5659 2016.6372 107.4549 -205939.3398 17568.5544 0.0000 0.0000 34388.9876 -148947.7755 300.3276 -183336.7631 -148842.8990 299.5507 -237.9028 -209.9640 557440.8207 0.4411 0.4248 PRESSURE: 822400 -286.32 82.6594 57.9357 82.66 137.237 161.928 57.9364 161.928 -136.952 GPRESSURE: 822400 -218.119 122.037 -39.572 71.3384 159.827 100.435 106.587 216.821 -125.423 PRESSAVG: 822400 32.849 2.54305 1.66925 2.54312 -28.2922 25.5128 1.66925 25.5128 -4.15704 GPRESSAVG: 822400 33.1722 4.27643 1.72004 -0.0374682 -28.3638 25.2795 0.415411 25.2447 -4.5665 TIMING: 822400 CPU: 2388.65, 0.00289273/step Wall: 2388.65, 0.00289273/step, 3.35685 hours remaining, 204.992188 MB of memory in use. ENERGY: 822400 747.6269 2089.0738 1986.6517 118.6785 -206136.6694 17586.3325 0.0000 0.0000 34528.0015 -149080.3044 301.5416 -183608.3059 -148973.4224 300.1571 -95.3448 -61.2381 559155.4273 0.1333 0.0806 PRESSURE: 822600 -167.976 -8.76617 -9.01886 -8.76733 -278.127 87.6636 -9.0211 87.6622 -219.694 GPRESSURE: 822600 -123.205 -66.2644 -28.0426 -11.8392 -243.985 100.135 25.6268 24.8054 -204.004 PRESSAVG: 822600 -44.2119 20.7649 25.0674 20.765 38.4492 6.48055 25.0674 6.48073 3.60458 GPRESSAVG: 822600 -44.1016 18.747 25.6965 23.7437 38.8481 7.8037 24.2904 4.54917 3.82868 TIMING: 822600 CPU: 2389.23, 0.00289478/step Wall: 2389.23, 0.00289478/step, 3.35907 hours remaining, 204.992188 MB of memory in use. ENERGY: 822600 778.7771 2127.0509 1951.5766 125.7590 -206027.3337 17579.4850 0.0000 0.0000 34300.9006 -149163.7844 299.5583 -183464.6850 -149065.9752 299.7110 -221.9323 -190.3980 558899.4959 -0.7194 -0.4750 PRESSURE: 822800 224.177 -64.3913 21.462 -64.3909 180.311 -21.2058 21.4621 -21.2046 -42.6241 GPRESSURE: 822800 208.105 -212.412 -60.859 -34.0264 209.477 -41.1884 96.1833 -14.0725 19.3818 PRESSAVG: 822800 -16.0708 3.18392 -13.1156 3.18393 23.6009 5.74705 -13.1156 5.74708 0.771766 GPRESSAVG: 822800 -17.1067 3.33002 -16.3679 2.26813 22.9349 5.62235 -11.2646 6.25951 2.42932 TIMING: 822800 CPU: 2389.81, 0.00288561/step Wall: 2389.81, 0.00288561/step, 3.34827 hours remaining, 204.992188 MB of memory in use. ENERGY: 822800 746.3086 2091.1030 1969.2353 130.8770 -206625.5096 18095.0592 0.0000 0.0000 34433.4114 -149159.5151 300.7155 -183592.9264 -149066.1178 299.7356 120.6210 145.6546 556672.0018 2.7673 2.7525 PRESSURE: 823000 31.3745 -50.9523 -157.062 -50.9527 -117.306 88.2827 -157.062 88.2826 -193.629 GPRESSURE: 823000 20.8263 -109.675 -110.409 5.61729 -80.8592 145.432 -99.4587 96.0483 -128.865 PRESSAVG: 823000 4.72254 -21.9715 -97.9979 -21.9715 21.495 57.1244 -97.9979 57.1244 -11.4531 GPRESSAVG: 823000 5.83771 -23.1735 -98.291 -22.6368 21.5012 59.7238 -97.4154 55.2617 -12.9355 TIMING: 823000 CPU: 2390.39, 0.00291691/step Wall: 2390.39, 0.00291691/step, 3.38443 hours remaining, 204.992188 MB of memory in use. ENERGY: 823000 770.2861 2119.1436 1975.4882 124.8278 -206004.2572 17787.7138 0.0000 0.0000 34112.4831 -149114.3146 297.9128 -183226.7977 -149020.2013 299.6272 -93.1869 -62.9659 559024.5658 4.9215 4.8012 PRESSURE: 823200 -23.4084 -134.905 -0.803492 -134.905 -65.8196 71.5072 -0.80334 71.5082 -172.214 GPRESSURE: 823200 -8.0916 -72.6384 22.4915 -129.727 9.42107 110.978 -3.47631 126.63 -167.823 PRESSAVG: 823200 33.6828 -35.5215 17.3903 -35.5215 40.9888 37.695 17.3902 37.695 -59.6118 GPRESSAVG: 823200 32.7374 -34.2395 19.4339 -35.8873 41.4421 34.1111 17.5526 39.5741 -59.4216 TIMING: 823200 CPU: 2390.97, 0.00291121/step Wall: 2390.97, 0.00291121/step, 3.37765 hours remaining, 204.992188 MB of memory in use. ENERGY: 823200 739.0919 2083.7445 1983.6586 118.0786 -206169.5332 17903.5477 0.0000 0.0000 34229.8744 -149111.5375 298.9380 -183341.4119 -149018.5871 299.1080 -87.1473 -55.4980 559190.7973 5.0200 4.9193 PRESSURE: 823400 191.986 -80.5696 -29.0108 -80.5698 -0.582033 -120.825 -29.0113 -120.826 151.116 GPRESSURE: 823400 227.101 -76.475 -2.16771 -113.098 47.3947 -55.0064 -61.7654 -146.217 175.958 PRESSAVG: 823400 20.7728 20.9083 -9.35463 20.9083 -28.6882 18.8071 -9.35468 18.8071 -2.81868 GPRESSAVG: 823400 20.553 19.0767 -10.3574 23.7566 -29.1701 20.0406 -10.9119 18.3948 -2.24215 TIMING: 823400 CPU: 2391.56, 0.00291574/step Wall: 2391.56, 0.00291574/step, 3.38274 hours remaining, 204.992188 MB of memory in use. ENERGY: 823400 713.4937 2133.4781 1960.2486 122.1217 -206263.6669 18087.8882 0.0000 0.0000 33958.9662 -149287.4703 296.5721 -183246.4366 -149193.0412 298.3641 114.1731 150.1511 558457.3835 -3.5780 -3.6198 PRESSURE: 823600 296.083 15.2014 -74.0088 15.2007 -25.0495 -43.955 -74.0096 -43.955 -64.5617 GPRESSURE: 823600 302.616 19.9082 -60.3045 37.8192 -2.29542 -142.068 -83.7007 -37.3008 -6.23708 PRESSAVG: 823600 52.9889 -6.73657 37.5939 -6.73663 15.3694 35.8734 37.5938 35.8733 -42.882 GPRESSAVG: 823600 51.8319 -5.85014 40.0621 -8.45256 15.8806 33.7684 38.8393 37.9847 -42.7958 TIMING: 823600 CPU: 2392.13, 0.00289324/step Wall: 2392.13, 0.00289324/step, 3.35648 hours remaining, 204.992188 MB of memory in use. ENERGY: 823600 753.3345 2121.2308 1954.4125 109.6643 -206425.6829 17943.3366 0.0000 0.0000 34373.7668 -149169.9376 300.1947 -183543.7043 -149079.6553 298.8730 68.8240 98.0278 558241.4983 8.4921 8.3056 PRESSURE: 823800 30.8904 63.6747 0.860697 63.6742 101.267 -90.7017 0.860902 -90.7018 -211.6 GPRESSURE: 823800 6.91309 100.448 35.1701 62.3109 126.589 -71.8093 -10.5611 -129.197 -124.819 PRESSAVG: 823800 27.2981 -4.71878 -56.5348 -4.71881 -15.6404 39.5647 -56.5347 39.5645 19.1323 GPRESSAVG: 823800 26.8739 -3.37253 -59.2706 -6.06071 -14.2837 41.1578 -56.8383 37.9729 18.2097 TIMING: 823800 CPU: 2392.72, 0.00291742/step Wall: 2392.72, 0.00291742/step, 3.38437 hours remaining, 204.992188 MB of memory in use. ENERGY: 823800 730.2549 2132.6332 1991.7483 112.2528 -206119.8298 17802.2888 0.0000 0.0000 34279.3103 -149071.3414 299.3697 -183350.6517 -148972.8537 299.2298 -26.4806 2.8944 557925.8295 10.2633 10.2666 PRESSURE: 824000 102.081 213.267 36.4912 213.267 37.3851 100.632 36.4904 100.633 368.342 GPRESSURE: 824000 137.221 198.693 35.4958 193.836 49.9483 140.12 55.3704 121.651 405.877 PRESSAVG: 824000 -5.16991 -17.8604 1.72631 -17.8603 24.6231 7.06775 1.72632 7.06784 29.3868 GPRESSAVG: 824000 -3.55361 -18.6569 2.65806 -15.1937 22.9702 6.66157 1.21163 7.14096 29.3313 TIMING: 824000 CPU: 2393.3, 0.00289841/step Wall: 2393.3, 0.00289841/step, 3.36215 hours remaining, 204.992188 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: 824000 785.9030 2122.0997 1990.4319 108.7044 -206507.2784 18093.3461 0.0000 0.0000 34364.7376 -149042.0557 300.1158 -183406.7933 -148943.7510 299.4151 169.2696 197.6822 557468.3171 16.2800 16.2493 PRESSURE: 824200 -32.4182 211.36 21.7062 211.36 72.4121 -73.6213 21.707 -73.6205 -70.1741 GPRESSURE: 824200 -31.2657 173.195 96.8648 206.146 75.8452 -57.2272 -31.539 -151.837 22.8118 PRESSAVG: 824200 -46.3409 24.9312 93.4722 24.9311 -10.5286 -14.3406 93.4722 -14.3406 71.6485 GPRESSAVG: 824200 -47.2398 24.7594 92.4766 24.4297 -10.2745 -15.757 93.0009 -12.9789 71.9752 TIMING: 824200 CPU: 2393.88, 0.00289778/step Wall: 2393.88, 0.00289778/step, 3.36127 hours remaining, 204.992188 MB of memory in use. ENERGY: 824200 746.1441 2136.9047 1975.9715 123.7387 -205719.5892 17871.9770 0.0000 0.0000 34160.1582 -148704.6951 298.3292 -182864.8533 -148612.8882 300.1998 -10.0601 22.4638 559249.3230 4.9263 4.8203 LDB: ============= START OF LOAD BALANCING ============== 2397.35 LDB: ============== END OF LOAD BALANCING =============== 2397.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2397.35 LDB: ============= START OF LOAD BALANCING ============== 2397.64 LDB: Largest compute 4827 load 0.027724 is 23.6% of average load 0.117555 LDB: Average compute 0.001742 is 1.5% of average load 0.117555 LDB: TIME 2397.64 LOAD: AVG 0.117555 MAX 0.176898 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.316 MB LDB: TIME 2397.64 LOAD: AVG 0.117555 MAX 0.176898 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.395 MB LDB: TIME 2397.64 LOAD: AVG 0.117555 MAX 0.176898 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2397.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2397.65 PRESSURE: 824400 103.865 39.2408 -63.1609 39.2405 20.2172 216.704 -63.1595 216.704 146.673 GPRESSURE: 824400 87.1097 129.685 -39.7497 50.9358 50.3657 225.117 11.2095 177.371 214.004 PRESSAVG: 824400 -62.4049 22.5192 20.54 22.5192 34.8224 -7.00847 20.54 -7.00831 66.3477 GPRESSAVG: 824400 -61.0595 23.8999 19.7919 20.6186 34.5561 -5.6155 22.5772 -10.2681 64.9196 TIMING: 824400 CPU: 2394.47, 0.00298278/step Wall: 2394.47, 0.00298278/step, 3.4597 hours remaining, 205.097656 MB of memory in use. ENERGY: 824400 742.6824 2127.0509 1981.4766 119.8555 -206073.8065 17883.3681 0.0000 0.0000 34382.8169 -148836.5560 300.2737 -183219.3729 -148737.7530 300.5920 90.2519 117.1599 558290.1166 12.9217 12.8054 PRESSURE: 824600 138.873 -62.7377 -168.02 -62.7377 -68.6548 -27.6404 -168.02 -27.6407 29.2391 GPRESSURE: 824600 182.006 -75.8826 -118.726 -110.064 -16.3086 -120.67 -133.41 8.78636 25.2409 PRESSAVG: 824600 -60.0071 -42.672 4.75478 -42.672 -15.9016 70.6865 4.75467 70.6866 27.6798 GPRESSAVG: 824600 -60.7685 -41.7273 5.63533 -44.1987 -15.2502 70.7964 2.43205 71.837 27.8155 TIMING: 824600 CPU: 2395.05, 0.00289804/step Wall: 2395.05, 0.00289804/step, 3.36124 hours remaining, 205.300781 MB of memory in use. ENERGY: 824600 749.2274 2045.6918 1983.0115 102.6357 -205607.9345 17684.6746 0.0000 0.0000 34229.0085 -148813.6850 298.9304 -183042.6935 -148726.0377 300.0482 33.1524 63.6460 557575.9240 -16.0763 -16.0677 PRESSURE: 824800 -126.394 -146.419 17.0535 -146.418 -47.1835 140.226 17.0527 140.227 63.2361 GPRESSURE: 824800 -79.8457 -123.657 -42.4848 -222.583 -25.0157 144.965 -14.9507 84.6862 90.8342 PRESSAVG: 824800 39.9495 -57.5234 2.38743 -57.5234 -36.8232 10.3548 2.38746 10.3549 0.822927 GPRESSAVG: 824800 39.8142 -58.4903 0.611039 -55.9921 -36.7555 10.3329 4.94754 10.0198 0.516582 TIMING: 824800 CPU: 2395.63, 0.00289911/step Wall: 2395.63, 0.00289911/step, 3.36232 hours remaining, 205.300781 MB of memory in use. ENERGY: 824800 819.5300 2104.4972 1957.3880 120.8296 -205973.5573 17816.3089 0.0000 0.0000 34313.5498 -148841.4539 299.6688 -183155.0037 -148748.7064 299.9978 -36.7804 -4.6757 558884.1906 1.3164 1.1918 PRESSURE: 825000 -36.3891 33.1573 -72.6736 33.1568 14.5603 42.3812 -72.6747 42.3816 -57.1245 GPRESSURE: 825000 22.8257 58.0863 -154.347 63.7443 15.4656 50.5885 -50.5082 41.9809 4.01662 PRESSAVG: 825000 -73.4891 -41.0455 -55.1851 -41.0455 -12.0927 5.65925 -55.185 5.65921 30.3164 GPRESSAVG: 825000 -73.5739 -40.8477 -53.3066 -40.7283 -13.3704 6.06602 -57.466 5.84231 31.7753 TIMING: 825000 CPU: 2396.22, 0.00291272/step Wall: 2396.22, 0.00291272/step, 3.37795 hours remaining, 205.300781 MB of memory in use. ENERGY: 825000 727.6472 2127.9100 1988.5944 114.5571 -205883.9543 17674.8577 0.0000 0.0000 34429.6758 -148820.7121 300.6829 -183250.3879 -148719.2899 299.8210 -26.3178 14.1027 557665.1627 -18.4218 -18.3897 PRESSURE: 825200 60.868 28.211 121.452 28.2095 -372.979 -217.209 121.452 -217.208 -75.7709 GPRESSURE: 825200 50.9896 43.1072 179.444 12.1448 -339.73 -242.014 -0.188046 -228.261 2.25109 PRESSAVG: 825200 17.4317 10.2832 -18.4287 10.2832 -60.0694 -43.185 -18.4287 -43.185 46.141 GPRESSAVG: 825200 17.5145 9.00271 -18.4602 10.6683 -57.9776 -42.2939 -16.7885 -45.583 43.5143 TIMING: 825200 CPU: 2396.79, 0.00288427/step Wall: 2396.79, 0.00288427/step, 3.3448 hours remaining, 205.300781 MB of memory in use. ENERGY: 825200 736.1690 2129.1301 1978.0733 114.4259 -205450.3600 17449.5075 0.0000 0.0000 34288.7940 -148754.2604 299.4526 -183043.0544 -148657.2529 300.1448 -129.2938 -95.4966 558127.6460 1.1677 1.0171 PRESSURE: 825400 -43.179 99.7123 53.7234 99.7119 -89.7022 309.945 53.7227 309.943 -250.797 GPRESSURE: 825400 -22.2301 161.305 64.1909 -3.6845 -43.939 242.633 128.12 301.053 -222.881 PRESSAVG: 825400 -35.194 -7.09425 -5.8517 -7.09421 60.3952 66.2857 -5.85171 66.2857 -36.2651 GPRESSAVG: 825400 -34.9025 -7.68448 -5.08662 -7.94986 58.2009 64.9357 -4.54423 67.9205 -34.7967 TIMING: 825400 CPU: 2397.37, 0.00288722/step Wall: 2397.37, 0.00288722/step, 3.34806 hours remaining, 205.300781 MB of memory in use. ENERGY: 825400 776.4187 2067.0750 2005.3837 105.7452 -205597.6294 17563.5802 0.0000 0.0000 34185.6444 -148893.7822 298.5517 -183079.4266 -148802.2974 300.3510 -127.8926 -96.3500 558112.0296 -3.6880 -3.8328 PRESSURE: 825600 81.415 16.3087 -52.5644 16.308 67.4387 70.9359 -52.5662 70.9344 -124.477 GPRESSURE: 825600 105.342 1.73539 -28.3221 7.12819 102.564 31.4658 -74.3852 -8.14841 -88.5097 PRESSAVG: 825600 1.30111 -17.0773 -2.21645 -17.0773 -24.3901 86.029 -2.21631 86.029 0.783341 GPRESSAVG: 825600 0.137946 -16.8629 -3.74208 -15.2238 -24.1687 86.6097 -3.36797 85.022 1.67518 TIMING: 825600 CPU: 2397.94, 0.0028701/step Wall: 2397.94, 0.0028701/step, 3.32804 hours remaining, 205.300781 MB of memory in use. ENERGY: 825600 755.9265 2080.2172 1967.9941 116.2552 -206080.3363 17912.3199 0.0000 0.0000 34241.0008 -149006.6225 299.0352 -183247.6234 -148908.6094 299.6428 8.1255 39.7988 557380.6493 -7.4352 -7.4519 PRESSURE: 825800 -34.6601 95.8668 63.0887 95.8666 119.933 24.8078 63.0892 24.8077 91.325 GPRESSURE: 825800 -13.6046 24.6904 19.9976 191.776 163.513 -9.20451 50.6632 103.004 123.273 PRESSAVG: 825800 56.4269 -45.9799 41.6518 -45.9799 -8.58136 -28.3605 41.6519 -28.3607 -43.903 GPRESSAVG: 825800 56.1953 -46.8727 42.6866 -47.1837 -8.10451 -30.0538 42.6819 -24.2369 -44.1474 TIMING: 825800 CPU: 2398.52, 0.00289524/step Wall: 2398.52, 0.00289524/step, 3.35703 hours remaining, 205.300781 MB of memory in use. ENERGY: 825800 779.7452 2106.9567 2004.9655 114.7348 -206218.8391 17911.8333 0.0000 0.0000 34325.6397 -148974.9640 299.7743 -183300.6037 -148883.9140 299.4592 58.8659 91.0603 557814.6116 1.3142 1.3144 PRESSURE: 826000 -104.901 3.69223 -28.6988 3.69149 -157.583 -83.6012 -28.6989 -83.6026 -132.153 GPRESSURE: 826000 -96.0294 -100.666 -48.7473 66.0349 -93.9885 -97.0341 40.7935 -85.6244 -99.1629 PRESSAVG: 826000 -11.2263 0.191042 22.9915 0.19108 6.42803 -17.5158 22.9915 -17.5159 -10.0079 GPRESSAVG: 826000 -10.9122 2.02235 21.1733 -1.39193 6.95458 -13.6883 23.104 -20.8867 -10.5606 TIMING: 826000 CPU: 2399.1, 0.00289705/step Wall: 2399.1, 0.00289705/step, 3.35897 hours remaining, 205.371094 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: 826000 737.0910 2130.7539 1968.9011 108.6916 -205737.6892 17583.0177 0.0000 0.0000 34348.1479 -148861.0862 299.9709 -183209.2340 -148758.0030 299.5917 -131.5457 -96.3936 558409.1171 -4.9354 -4.8394 PRESSURE: 826200 98.4708 -121.402 -58.4868 -121.402 158.186 -16.758 -58.4866 -16.7566 126.799 GPRESSURE: 826200 121.182 -49.027 -28.6504 -132.488 172.936 50.5498 -7.11936 -2.48745 182.152 PRESSAVG: 826200 44.462 -47.4503 2.21118 -47.4503 42.4702 74.307 2.21107 74.3071 -55.5315 GPRESSAVG: 826200 44.5283 -48.1912 2.49753 -44.8874 41.9946 72.0107 2.72321 75.9395 -55.2388 TIMING: 826200 CPU: 2399.68, 0.00290374/step Wall: 2399.68, 0.00290374/step, 3.36657 hours remaining, 205.371094 MB of memory in use. ENERGY: 826200 763.5424 2177.6699 1963.8648 127.7854 -206497.0645 18074.8884 0.0000 0.0000 34477.7842 -148911.5292 301.1031 -183389.3134 -148808.7692 300.3126 127.8189 158.7567 557909.4544 10.4669 10.4280 PRESSURE: 826400 124.245 0.00925822 86.1491 0.0102846 245.959 11.1293 86.1487 11.131 27.0645 GPRESSURE: 826400 131.866 6.47757 70.5445 34.1932 298.373 -23.0567 56.284 36.7021 48.9858 PRESSAVG: 826400 54.8934 -2.90913 19.0097 -2.90909 0.392196 24.047 19.0097 24.047 -29.4753 GPRESSAVG: 826400 55.1994 -4.04233 19.8026 -3.52334 0.860931 24.4608 18.5567 22.5627 -30.2684 TIMING: 826400 CPU: 2400.26, 0.00289227/step Wall: 2400.26, 0.00289227/step, 3.3531 hours remaining, 205.371094 MB of memory in use. ENERGY: 826400 739.5040 2072.9903 1985.6119 112.4668 -206120.7290 17875.8920 0.0000 0.0000 34303.8262 -149030.4378 299.5838 -183334.2641 -148937.1182 299.6958 132.4230 159.7415 557023.8658 8.6034 8.5973 PRESSURE: 826600 -23.7443 49.6287 -114.216 49.6288 -40.227 26.0788 -114.214 26.0789 -170.841 GPRESSURE: 826600 -16.079 59.5884 -43.3121 20.4424 2.28645 -1.91841 -246.248 72.8359 -127.21 PRESSAVG: 826600 37.2952 17.8872 38.082 17.8873 11.5709 -15.4132 38.0821 -15.4132 -42.444 GPRESSAVG: 826600 36.4244 19.4454 38.8423 15.7966 11.2108 -16.0306 34.4816 -13.9183 -41.4195 TIMING: 826600 CPU: 2400.84, 0.002902/step Wall: 2400.84, 0.002902/step, 3.36423 hours remaining, 205.371094 MB of memory in use. ENERGY: 826600 729.4779 2128.2391 1988.1937 103.3508 -206265.8668 17802.6068 0.0000 0.0000 34443.0756 -149070.9229 300.7999 -183513.9985 -148973.9163 300.1621 -78.2708 -47.0008 558764.8538 2.1407 2.0719 PRESSURE: 826800 -10.3598 35.2546 -72.4286 35.2536 -224.515 222.591 -72.4283 222.589 -18.239 GPRESSURE: 826800 5.78892 33.4852 -73.0057 46.9766 -167.669 222.857 -75.5735 246.432 2.3449 PRESSAVG: 826800 55.266 33.012 34.3185 33.012 -2.88256 19.8315 34.3185 19.8314 11.2872 GPRESSAVG: 826800 55.1265 33.0335 32.8314 35.8891 -1.20806 20.2512 36.7949 18.8037 9.70023 TIMING: 826800 CPU: 2401.42, 0.00289984/step Wall: 2401.42, 0.00289984/step, 3.36156 hours remaining, 205.371094 MB of memory in use. ENERGY: 826800 701.2232 2038.3905 1969.3447 102.9034 -205576.2348 17400.5487 0.0000 0.0000 34189.4835 -149174.3407 298.5853 -183363.8242 -149076.8502 298.9457 -84.3712 -53.1783 557801.2662 21.2236 21.2062 PRESSURE: 827000 -192.616 86.2479 1.29536 86.2469 144.68 6.49041 1.29487 6.48927 281.666 GPRESSURE: 827000 -154.619 141.44 -69.528 87.7059 159.152 30.7478 118.174 14.8306 330.5 PRESSAVG: 827000 -3.32358 22.7208 -37.5447 22.7209 -7.01243 55.016 -37.5447 55.016 20.9143 GPRESSAVG: 827000 -2.44941 21.7958 -37.9833 23.3059 -9.11803 53.6701 -37.554 58.1265 21.9057 TIMING: 827000 CPU: 2402, 0.00289307/step Wall: 2402, 0.00289307/step, 3.35355 hours remaining, 205.371094 MB of memory in use. ENERGY: 827000 748.1321 2089.2630 1960.1626 106.0512 -206194.7517 17955.0260 0.0000 0.0000 34055.1685 -149280.9483 297.4123 -183336.1168 -149187.6247 298.7092 77.9100 111.6776 557356.5286 3.5261 3.4461 PRESSURE: 827200 1.45155 -18.4822 11.3896 -18.4829 -402.451 91.478 11.3895 91.477 121.716 GPRESSURE: 827200 25.6155 -15.7869 -88.8898 -64.9279 -368.618 80.6606 6.30987 -8.64354 154.469 PRESSAVG: 827200 9.49213 1.06904 -26.34 1.06901 -9.02874 20.5456 -26.34 20.5456 -8.2355 GPRESSAVG: 827200 9.70575 1.24149 -25.977 1.79148 -8.64347 22.3656 -26.015 16.7478 -8.7878 TIMING: 827200 CPU: 2402.58, 0.00288141/step Wall: 2402.58, 0.00288141/step, 3.33988 hours remaining, 205.371094 MB of memory in use. ENERGY: 827200 775.1145 2069.4835 1966.8630 110.4220 -206189.4878 17743.3061 0.0000 0.0000 34277.5193 -149246.7795 299.3541 -183524.2988 -149144.4844 298.6683 -93.0943 -62.8446 557700.4958 -2.5907 -2.5752 PRESSURE: 827400 125.04 -25.484 152.098 -25.4844 111.343 22.1981 152.097 22.1978 46.4902 GPRESSURE: 827400 202.958 -118.284 200.219 33.7517 91.4566 17.5226 170.289 27.2544 88.1817 PRESSAVG: 827400 60.7747 -28.8846 -16.5912 -28.8845 -43.1218 39.2249 -16.5912 39.2248 2.9935 GPRESSAVG: 827400 61.2426 -27.6442 -13.3436 -31.3406 -43.0169 40.1805 -16.983 39.2195 2.70624 TIMING: 827400 CPU: 2403.15, 0.00288716/step Wall: 2403.15, 0.00288716/step, 3.34638 hours remaining, 205.371094 MB of memory in use. ENERGY: 827400 759.5327 2088.9731 1978.1534 121.7190 -206569.7684 18048.7519 0.0000 0.0000 34423.0026 -149149.6358 300.6246 -183572.6384 -149045.1279 300.1362 94.2911 127.5321 556563.8343 6.8821 6.9773 PRESSURE: 827600 -60.3322 84.1281 -5.76041 84.1282 -45.1978 -67.6095 -5.76025 -67.6094 188.866 GPRESSURE: 827600 -22.6512 -11.4825 -63.61 190.095 25.7962 -93.8944 -22.5686 26.1166 176.329 PRESSAVG: 827600 53.7566 -20.3198 -38.9469 -20.3198 -21.7837 -13.0413 -38.9469 -13.0413 2.62177 GPRESSAVG: 827600 52.5824 -20.5235 -40.5305 -19.3669 -21.5068 -14.2885 -38.0061 -12.5184 2.70021 TIMING: 827600 CPU: 2403.73, 0.00287413/step Wall: 2403.73, 0.00287413/step, 3.33112 hours remaining, 205.371094 MB of memory in use. ENERGY: 827600 705.5995 2075.0203 1980.0709 122.8874 -206287.5656 17861.9027 0.0000 0.0000 34398.6496 -149143.4352 300.4120 -183542.0848 -149043.6924 299.8431 27.7788 59.8245 555999.6802 11.5316 11.2586 PRESSURE: 827800 -53.3848 147.572 -70.4511 147.573 -116.632 51.5072 -70.4504 51.5072 -373.008 GPRESSURE: 827800 19.9093 107.945 -102.708 187.215 -118.662 -26.2362 -75.1784 28.2331 -352.29 PRESSAVG: 827800 -15.1311 0.501317 -33.5273 0.501384 -16.5452 26.2975 -33.5274 26.2977 7.41948 GPRESSAVG: 827800 -16.2809 0.63252 -34.0705 0.6353 -15.7959 26.813 -35.3887 24.3055 7.33592 TIMING: 827800 CPU: 2404.3, 0.00287485/step Wall: 2404.3, 0.00287485/step, 3.33179 hours remaining, 205.570312 MB of memory in use. ENERGY: 827800 751.7000 2162.8757 1960.5707 112.3031 -205908.1820 17504.2727 0.0000 0.0000 34236.3264 -149180.1334 298.9944 -183416.4598 -149085.0325 299.9730 -181.0082 -150.3476 555491.1191 -8.0856 -8.2470 PRESSURE: 828000 24.1539 28.3277 -207.529 28.3286 -1.74959 -155.942 -207.529 -155.941 -211.501 GPRESSURE: 828000 -4.30165 -43.4526 -187.843 71.0456 18.2856 -55.8166 -239 -208.01 -119.113 PRESSAVG: 828000 -15.5613 48.5493 -20.0459 48.5493 0.184084 -42.2915 -20.0458 -42.2916 27.1382 GPRESSAVG: 828000 -15.8308 47.2225 -19.6535 49.3492 -0.257072 -42.3642 -19.2906 -40.9661 27.9566 TIMING: 828000 CPU: 2404.88, 0.00288117/step Wall: 2404.88, 0.00288117/step, 3.33895 hours remaining, 205.570312 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: 828000 785.5473 2095.6473 1991.3025 108.0425 -206407.2045 17766.6656 0.0000 0.0000 34570.6999 -149089.2994 301.9145 -183659.9993 -148994.1715 299.6410 -63.0322 -35.0429 556585.7221 3.9203 3.9563 PRESSURE: 828200 29.2252 -51.6199 -14.115 -51.6194 130.536 -102.35 -14.1147 -102.349 -216.957 GPRESSURE: 828200 86.7636 -89.9305 -44.5402 -77.1301 149.451 -49.5629 -77.5308 -98.0852 -188.143 PRESSAVG: 828200 -6.06891 10.7181 -56.2439 10.7182 -9.34283 -37.122 -56.2438 -37.122 57.1258 GPRESSAVG: 828200 -5.45243 9.78318 -56.9371 9.23959 -8.8697 -37.8973 -56.1152 -36.8815 55.8404 TIMING: 828200 CPU: 2405.46, 0.00289162/step Wall: 2405.46, 0.00289162/step, 3.35091 hours remaining, 205.570312 MB of memory in use. ENERGY: 828200 735.9757 2118.6610 1978.7995 111.4811 -206313.4675 17805.0629 0.0000 0.0000 34418.6755 -149144.8120 300.5869 -183563.4875 -149045.5232 299.6684 -19.0655 16.0238 557361.9028 13.9047 13.8394 LDB: ============= START OF LOAD BALANCING ============== 2408.92 LDB: ============== END OF LOAD BALANCING =============== 2408.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2408.93 LDB: ============= START OF LOAD BALANCING ============== 2409.22 LDB: Largest compute 4827 load 0.027690 is 23.6% of average load 0.117543 LDB: Average compute 0.001747 is 1.5% of average load 0.117543 LDB: TIME 2409.22 LOAD: AVG 0.117543 MAX 0.178606 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.414 MB LDB: TIME 2409.22 LOAD: AVG 0.117543 MAX 0.178606 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: TIME 2409.22 LOAD: AVG 0.117543 MAX 0.178606 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2409.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2409.22 PRESSURE: 828400 -51.6614 -92.6107 -79.7476 -92.6112 -181.99 -62.493 -79.7484 -62.4928 42.2612 GPRESSURE: 828400 35.1613 -127.631 -34.0359 -76.8195 -178.828 -88.8916 -142.327 -121.025 41.4971 PRESSAVG: 828400 12.8136 -6.9196 -50.0622 -6.91953 -15.7433 -21.5458 -50.0622 -21.5458 40.315 GPRESSAVG: 828400 12.9843 -5.94335 -49.849 -5.22281 -15.8724 -21.2914 -50.2149 -21.3612 39.8864 TIMING: 828400 CPU: 2406.05, 0.00294685/step Wall: 2406.05, 0.00294685/step, 3.41475 hours remaining, 204.414062 MB of memory in use. ENERGY: 828400 777.9964 2141.5269 1956.7611 108.8963 -206070.9897 17809.5992 0.0000 0.0000 34093.1556 -149183.0540 297.7440 -183276.2097 -149092.6787 299.8141 -63.7967 -34.0566 558215.5331 12.4618 12.3328 PRESSURE: 828600 -380.64 -62.5625 41.5813 -62.5616 -281.56 28.2865 41.5804 28.2886 -288.823 GPRESSURE: 828600 -316.707 -74.5822 48.8574 -70.7864 -291.069 22.0608 -2.44635 -60.4723 -248.622 PRESSAVG: 828600 -26.4103 -3.95672 -30.8254 -3.95665 12.1973 -40.0539 -30.8254 -40.0539 16.6712 GPRESSAVG: 828600 -27.5142 -3.79614 -30.6891 -5.59268 12.6048 -39.5058 -30.7228 -40.5154 17.0097 TIMING: 828600 CPU: 2406.63, 0.00289632/step Wall: 2406.63, 0.00289632/step, 3.35603 hours remaining, 204.414062 MB of memory in use. ENERGY: 828600 801.3240 2029.9938 1974.3764 115.7985 -205675.0296 17384.5159 0.0000 0.0000 34217.8924 -149151.1285 298.8334 -183369.0209 -149050.7537 299.8251 -317.0078 -285.4660 557217.9102 0.8194 0.7001 PRESSURE: 828800 -139.219 42.1106 -35.4269 42.1102 -357.416 -65.9775 -35.4258 -65.9786 -157.438 GPRESSURE: 828800 -93.1631 124.139 -19.9433 18.7487 -294.826 -80.5131 -12.0156 -116.655 -165.599 PRESSAVG: 828800 -4.05489 -4.71956 31.7028 -4.71952 2.60797 -9.06019 31.7028 -9.06025 3.25339 GPRESSAVG: 828800 -3.59187 -3.6495 33.0753 -5.40138 0.768731 -9.0614 32.3939 -7.42123 4.54335 TIMING: 828800 CPU: 2407.21, 0.0029029/step Wall: 2407.21, 0.0029029/step, 3.36349 hours remaining, 204.414062 MB of memory in use. ENERGY: 828800 758.3812 2084.0135 1989.1631 111.9283 -205747.0402 17408.8966 0.0000 0.0000 34326.4753 -149068.1822 299.7816 -183394.6574 -148973.0395 299.6348 -218.0243 -184.5296 557181.2456 0.6022 0.5734 PRESSURE: 829000 -159.097 82.2742 -124.717 82.2736 -12.9066 -114.211 -124.718 -114.213 -42.1129 GPRESSURE: 829000 -86.6467 45.512 -64.2225 83.2503 -2.38557 -9.43966 -147.859 -144.095 -27.3343 PRESSAVG: 829000 -20.3444 13.4517 -30.0218 13.4517 37.1677 -47.7935 -30.0218 -47.7934 12.1539 GPRESSAVG: 829000 -20.59 11.94 -31.6669 15.0815 38.5762 -46.8809 -30.8339 -50.3906 11.25 TIMING: 829000 CPU: 2407.78, 0.00287524/step Wall: 2407.78, 0.00287524/step, 3.33128 hours remaining, 204.414062 MB of memory in use. ENERGY: 829000 738.1270 1998.9884 2001.3609 105.2942 -206202.0884 17795.1765 0.0000 0.0000 34564.7861 -148998.3551 301.8629 -183563.1413 -148900.3551 299.8289 -71.3720 -38.7888 557843.3802 9.6591 9.7454 PRESSURE: 829200 162.596 10.4738 -20.1084 10.4731 15.3661 -116.227 -20.1102 -116.228 -1.30661 GPRESSURE: 829200 187.812 56.6844 77.2672 43.1941 17.0042 -145.436 -75.2799 -37.6443 59.973 PRESSAVG: 829200 10.2134 -28.5437 16.9655 -28.5437 3.31168 -72.5161 16.9655 -72.516 -39.2607 GPRESSAVG: 829200 9.5324 -29.8344 18.8549 -28.562 4.67895 -72.2725 16.0556 -70.2301 -40.3696 TIMING: 829200 CPU: 2408.36, 0.00288873/step Wall: 2408.36, 0.00288873/step, 3.34676 hours remaining, 204.414062 MB of memory in use. ENERGY: 829200 762.4621 2069.7683 1953.4751 113.5426 -205971.5806 17763.6960 0.0000 0.0000 34070.0784 -149238.5580 297.5425 -183308.6364 -149140.0935 299.4548 58.8853 88.2630 558058.8600 -8.5785 -8.7194 PRESSURE: 829400 235.271 -175.566 -1.8718 -175.566 -28.3785 -19.7104 -1.87034 -19.7116 206.316 GPRESSURE: 829400 245.978 -160.991 -24.2384 -165.797 71.6704 -11.5405 -15.227 -7.43666 198.197 PRESSAVG: 829400 -64.111 -33.4859 69.6667 -33.4859 -3.40854 9.10598 69.6666 9.10616 61.4251 GPRESSAVG: 829400 -63.9744 -34.7759 66.3793 -32.1411 -4.64013 8.43664 72.2073 8.19931 62.3697 TIMING: 829400 CPU: 2408.94, 0.00289314/step Wall: 2408.94, 0.00289314/step, 3.3517 hours remaining, 204.617188 MB of memory in use. ENERGY: 829400 725.5241 2076.0688 1975.0272 94.6323 -206384.6503 18057.0835 0.0000 0.0000 34172.9579 -149283.3566 298.4409 -183456.3145 -149184.0333 298.6832 137.7362 171.9483 557251.3596 -2.0315 -2.0816 PRESSURE: 829600 -104.36 36.314 -59.7528 36.3134 -117.56 -92.3705 -59.7538 -92.3709 -244.309 GPRESSURE: 829600 -89.084 -22.6319 -139.311 106.21 -98.2533 -14.5478 -58.273 15.1285 -181.798 PRESSAVG: 829600 16.2344 6.95844 -58.2073 6.95848 30.9797 -52.1459 -58.2073 -52.146 -3.64729 GPRESSAVG: 829600 15.732 9.38463 -55.9579 6.361 30.8546 -51.5535 -59.9012 -48.3992 -2.47517 TIMING: 829600 CPU: 2409.52, 0.00288648/step Wall: 2409.52, 0.00288648/step, 3.34383 hours remaining, 204.617188 MB of memory in use. ENERGY: 829600 799.7411 2115.2670 1953.9722 111.7563 -206290.8712 17670.0463 0.0000 0.0000 34399.2267 -149240.8617 300.4170 -183640.0884 -149146.1096 299.4419 -155.4095 -123.0450 556764.0758 14.5222 14.7038 PRESSURE: 829800 93.6581 35.5606 -31.9514 35.5604 58.1798 38.0044 -31.9506 38.0023 -13.4626 GPRESSURE: 829800 134.262 7.25601 55.6261 -5.59202 111.161 135.574 -72.4701 108.196 -15.4011 PRESSAVG: 829800 4.4836 -28.7487 -47.296 -28.7486 -15.1265 -20.5991 -47.2959 -20.599 24.3071 GPRESSAVG: 829800 5.5332 -29.0376 -46.7329 -29.2603 -15.3745 -21.2977 -48.8494 -24.2124 24.4173 TIMING: 829800 CPU: 2410.09, 0.00288418/step Wall: 2410.09, 0.00288418/step, 3.341 hours remaining, 204.820312 MB of memory in use. ENERGY: 829800 737.2812 2119.3682 1923.5904 117.4431 -206611.8459 17996.7167 0.0000 0.0000 34287.4610 -149429.9853 299.4409 -183717.4464 -149334.2951 298.8778 46.1251 76.6739 558184.6938 4.5548 4.8587 PRESSURE: 830000 -147.431 157.623 -15.2068 157.623 69.9587 8.07437 -15.2076 8.07508 -9.51748 GPRESSURE: 830000 -137.669 231.265 -68.7139 189.126 101.571 41.9021 -54.9088 -52.9905 39.9273 PRESSAVG: 830000 31.568 3.25459 -56.5943 3.2546 26.5948 26.5541 -56.5942 26.5542 -42.2178 GPRESSAVG: 830000 32.2739 1.20681 -58.5558 4.70629 27.3127 29.6489 -53.7934 25.2493 -43.2368 TIMING: 830000 CPU: 2410.67, 0.0029029/step Wall: 2410.67, 0.0029029/step, 3.36252 hours remaining, 204.878906 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: 830000 783.7482 2068.4078 1940.0328 127.0839 -206136.1920 17659.4140 0.0000 0.0000 34193.9297 -149363.5758 298.6241 -183557.5055 -149270.3549 298.0479 -28.9965 1.2766 557914.1349 5.3150 5.4500 PRESSURE: 830200 -45.8827 -138.257 -19.4004 -138.256 -213.889 115.037 -19.4 115.036 31.8334 GPRESSURE: 830200 17.2545 -118.875 -42.4459 -73.2908 -211.267 143.191 -37.2004 113.885 65.1745 PRESSAVG: 830200 -34.5327 7.39813 9.9186 7.3981 65.9279 -17.6167 9.91859 -17.6166 8.27051 GPRESSAVG: 830200 -34.9105 7.56778 10.1369 4.3328 66.5711 -21.7641 9.749 -15.7036 8.19145 TIMING: 830200 CPU: 2411.26, 0.00292171/step Wall: 2411.26, 0.00292171/step, 3.38415 hours remaining, 204.878906 MB of memory in use. ENERGY: 830200 735.4486 2123.0018 1955.1919 108.5938 -206298.5288 17636.7129 0.0000 0.0000 34389.7127 -149349.8672 300.3339 -183739.5799 -149256.2654 298.3148 -75.9795 -42.9459 557751.5466 13.2219 13.2840 PRESSURE: 830400 69.8606 -147.337 118.084 -147.338 47.5094 146.404 118.083 146.404 78.7523 GPRESSURE: 830400 93.169 -89.7808 105.158 -140.723 120.652 207.133 136.08 101.761 74.634 PRESSAVG: 830400 -11.4706 -58.1821 7.00381 -58.1821 -15.5959 7.49632 7.00369 7.49632 4.69773 GPRESSAVG: 830400 -11.2949 -56.87 8.4406 -56.758 -16.0469 10.7245 6.48437 6.57629 4.89323 TIMING: 830400 CPU: 2411.84, 0.00292789/step Wall: 2411.84, 0.00292789/step, 3.39115 hours remaining, 204.878906 MB of memory in use. ENERGY: 830400 718.5500 2143.8139 1953.3529 119.9104 -206442.3846 18002.9518 0.0000 0.0000 34166.2661 -149337.5395 298.3825 -183503.8056 -149242.1771 299.0449 65.3741 96.1515 557529.2369 -7.4562 -7.4829 PRESSURE: 830600 -53.4333 0.285595 60.0631 0.285241 -54.1107 -72.392 60.0633 -72.3917 -22.6027 GPRESSURE: 830600 24.5356 -4.30606 27.9889 -25.0594 0.929655 -116.621 31.2548 -56.6026 -63.805 PRESSAVG: 830600 32.3078 -10.1766 46.4789 -10.1767 41.5017 -54.3317 46.4789 -54.3316 -82.0843 GPRESSAVG: 830600 32.7259 -9.26175 44.4897 -11.7808 41.5479 -55.8245 46.8547 -53.1168 -82.5133 TIMING: 830600 CPU: 2412.43, 0.00291007/step Wall: 2412.43, 0.00291007/step, 3.37035 hours remaining, 204.878906 MB of memory in use. ENERGY: 830600 749.0890 2130.3616 1955.5080 118.4030 -206209.8763 17636.0910 0.0000 0.0000 34226.8519 -149393.5717 298.9116 -183620.4236 -149296.8064 298.2455 -43.3822 -12.7799 557433.6604 -2.7583 -2.7465 PRESSURE: 830800 74.7538 135.619 -67.1466 135.62 91.5654 53.161 -67.1453 53.1617 228.611 GPRESSURE: 830800 99.448 113.705 -40.301 161.146 138.338 9.75363 -29.4702 107.5 259.719 PRESSAVG: 830800 -2.87939 -13.8005 -5.00621 -13.8005 -33.6427 36.0721 -5.00622 36.0721 32.1847 GPRESSAVG: 830800 -3.27358 -14.7314 -2.97018 -12.5014 -33.6683 36.0681 -5.16453 35.3933 32.777 TIMING: 830800 CPU: 2413.01, 0.00290014/step Wall: 2413.01, 0.00290014/step, 3.35869 hours remaining, 204.878906 MB of memory in use. ENERGY: 830800 696.1763 2113.9217 1979.3802 104.8382 -206523.6829 18133.4218 0.0000 0.0000 34174.6939 -149321.2508 298.4561 -183495.9448 -149221.4329 298.7207 131.6433 165.8348 556906.7394 -1.4458 -1.3883 PRESSURE: 831000 -238.256 -120.531 213.514 -120.531 -295.791 112.795 213.515 112.796 -428.222 GPRESSURE: 831000 -189.421 -8.05547 133.813 -138.977 -305.384 91.442 207.965 33.3198 -364.821 PRESSAVG: 831000 38.1871 19.1223 1.20804 19.1223 75.5107 41.0443 1.20808 41.0443 -38.5191 GPRESSAVG: 831000 37.7818 18.7032 1.05195 20.0095 75.2212 40.3613 -0.492392 41.8271 -37.5537 TIMING: 831000 CPU: 2413.59, 0.00291431/step Wall: 2413.59, 0.00291431/step, 3.37494 hours remaining, 204.878906 MB of memory in use. ENERGY: 831000 771.9634 2148.3944 1945.1913 110.5571 -205973.2833 17464.6192 0.0000 0.0000 34228.4808 -149304.0771 298.9258 -183532.5579 -149201.8309 298.5720 -320.7567 -286.5421 557669.8798 25.0596 25.1497 PRESSURE: 831200 -200.583 -16.2916 28.3176 -16.2912 -213.164 144.465 28.3157 144.465 -49.6722 GPRESSURE: 831200 -109.659 39.4884 0.408433 -43.8006 -211.689 125.32 51.6205 185.014 -45.7684 PRESSAVG: 831200 7.39445 -14.7545 -45.5544 -14.7545 -20.3747 -28.9417 -45.5545 -28.9417 -37.1173 GPRESSAVG: 831200 7.16917 -15.6843 -45.1642 -14.0644 -19.9497 -29.8667 -41.3915 -29.3238 -37.2597 TIMING: 831200 CPU: 2414.17, 0.00288719/step Wall: 2414.17, 0.00288719/step, 3.34336 hours remaining, 204.878906 MB of memory in use. ENERGY: 831200 762.7465 2111.3614 1963.6855 120.9907 -206097.5827 17667.1748 0.0000 0.0000 34219.8764 -149251.7474 298.8507 -183471.6237 -149154.2271 298.7811 -154.4731 -122.3721 559053.2139 -16.6992 -16.6801 PRESSURE: 831400 -350.095 -48.3564 -22.7254 -48.3553 -229.227 20.3909 -22.7251 20.3922 -33.3475 GPRESSURE: 831400 -331.656 -86.6638 -35.0024 50.0239 -229.453 19.675 -81.8759 -2.71794 42.7731 PRESSAVG: 831400 40.1315 -16.5934 7.60437 -16.5934 -17.3441 -17.5693 7.60435 -17.5693 10.0729 GPRESSAVG: 831400 41.061 -13.9335 8.02308 -19.4696 -18.758 -17.8392 4.57318 -18.4742 10.7789 TIMING: 831400 CPU: 2414.74, 0.00288957/step Wall: 2414.74, 0.00288957/step, 3.34596 hours remaining, 204.878906 MB of memory in use. ENERGY: 831400 733.4306 2085.6034 1992.2772 112.3392 -205754.1164 17408.7601 0.0000 0.0000 34188.0602 -149233.6457 298.5728 -183421.7059 -149132.2699 299.3476 -204.2232 -172.7787 557828.4786 10.9535 11.0273 PRESSURE: 831600 -106.624 102.335 20.9669 102.335 -294.542 -145.258 20.967 -145.259 -155.962 GPRESSURE: 831600 -76.2733 25.3518 -22.4676 220.435 -210.099 -83.7004 83.3705 -162.469 -182.095 PRESSAVG: 831600 3.06765 52.536 -41.7204 52.5361 8.42836 -55.2227 -41.7204 -55.2227 -41.3888 GPRESSAVG: 831600 3.08298 51.7092 -42.4009 54.0718 8.54584 -53.1564 -40.0498 -55.8797 -41.2114 TIMING: 831600 CPU: 2415.32, 0.00288379/step Wall: 2415.32, 0.00288379/step, 3.33911 hours remaining, 204.878906 MB of memory in use. ENERGY: 831600 754.5441 2102.7303 1990.6606 110.5293 -205896.7276 17501.9158 0.0000 0.0000 34228.0785 -149208.2690 298.9223 -183436.3475 -149114.6871 298.6807 -185.7091 -156.1557 556531.7678 -9.9643 -9.8609 PRESSURE: 831800 -120.191 -46.0996 40.7284 -46.0995 -62.448 -99.6876 40.7286 -99.6871 -15.5246 GPRESSURE: 831800 -72.7266 -52.279 20.0617 -98.5375 -91.4679 -96.5991 75.9675 -74.4719 60.4071 PRESSAVG: 831800 -74.8505 23.1204 5.61348 23.1204 8.55666 4.6015 5.6135 4.60152 103.547 GPRESSAVG: 831800 -74.6052 23.6992 3.57664 23.0366 8.36157 4.49209 7.1316 5.57037 103.517 TIMING: 831800 CPU: 2415.9, 0.00289737/step Wall: 2415.9, 0.00289737/step, 3.35467 hours remaining, 204.878906 MB of memory in use. ENERGY: 831800 770.1136 2117.3057 1977.3614 109.1258 -206005.5846 17741.8829 0.0000 0.0000 34073.4347 -149216.3606 297.5718 -183289.7953 -149125.9180 299.1468 -66.0545 -34.5958 555929.9161 12.4177 12.4245 PRESSURE: 832000 -94.8662 -67.4141 -10.5142 -67.4137 -102.838 -113.871 -10.515 -113.871 220.517 GPRESSURE: 832000 -60.9006 -138.404 -3.64842 -64.2813 -28.3412 -110.968 10.5455 -57.4802 188.713 PRESSAVG: 832000 -84.44 -2.85614 6.35007 -2.85614 -2.73695 25.5784 6.35006 25.5784 104.089 GPRESSAVG: 832000 -84.3342 -3.59395 7.78369 -2.03452 -3.12054 24.5856 4.5349 27.0175 104.36 TIMING: 832000 CPU: 2416.48, 0.00289372/step Wall: 2416.48, 0.00289372/step, 3.35028 hours remaining, 204.878906 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: 832000 725.5604 2081.2809 1979.9861 114.3360 -206177.7899 17774.7441 0.0000 0.0000 34375.2132 -149126.6691 300.2073 -183501.8823 -149018.4548 298.8974 7.6042 33.1571 557406.1568 5.6374 5.6352 PRESSURE: 832200 -259.629 -69.7133 7.62761 -69.7137 42.7962 100.103 7.62726 100.104 -97.4822 GPRESSURE: 832200 -251.994 -153.19 -77.6096 -34.2938 55.6528 103.495 66.5522 64.6836 -25.1641 PRESSAVG: 832200 -41.7484 15.2518 -4.56744 15.2518 -18.3856 18.3102 -4.56739 18.3101 39.3355 GPRESSAVG: 832200 -41.9018 15.326 -3.86245 15.1939 -17.2127 21.0752 -4.5131 16.3482 38.387 TIMING: 832200 CPU: 2417.05, 0.00287489/step Wall: 2417.05, 0.00287489/step, 3.32833 hours remaining, 204.878906 MB of memory in use. ENERGY: 832200 771.7928 2077.9167 1969.5907 117.6750 -205947.2859 17635.3870 0.0000 0.0000 34247.6594 -149127.2642 299.0933 -183374.9236 -149024.9768 299.6806 -104.7717 -73.8352 557465.2206 -6.9328 -6.9092 LDB: ============= START OF LOAD BALANCING ============== 2420.52 LDB: ============== END OF LOAD BALANCING =============== 2420.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2420.52 LDB: ============= START OF LOAD BALANCING ============== 2420.81 LDB: Largest compute 4821 load 0.025468 is 21.7% of average load 0.117531 LDB: Average compute 0.001740 is 1.5% of average load 0.117531 LDB: TIME 2420.81 LOAD: AVG 0.117531 MAX 0.177446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.168 MB LDB: TIME 2420.81 LOAD: AVG 0.117531 MAX 0.177446 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: TIME 2420.81 LOAD: AVG 0.117531 MAX 0.177446 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2420.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2420.82 PRESSURE: 832400 -159.455 -0.195034 -1.6841 -0.194785 -272.209 166.901 -1.68533 166.901 -55.1733 GPRESSURE: 832400 -136.452 11.9891 -60.6031 -45.6057 -225.766 152.716 -15.5782 151.539 -22.4382 PRESSAVG: 832400 -59.7285 -21.247 -8.89139 -21.2471 -45.4014 39.9645 -8.89134 39.9644 62.7805 GPRESSAVG: 832400 -59.9372 -21.9264 -5.67273 -20.8742 -45.3035 39.0439 -10.8379 38.8899 62.5371 TIMING: 832400 CPU: 2417.64, 0.00293256/step Wall: 2417.64, 0.00293256/step, 3.39492 hours remaining, 204.738281 MB of memory in use. ENERGY: 832400 718.6561 2088.2338 1992.9861 122.2968 -205987.8171 17530.9638 0.0000 0.0000 34321.3311 -149213.3495 299.7367 -183534.6806 -149125.3493 299.8571 -162.2791 -128.2185 557662.6583 -14.1165 -14.2345 PRESSURE: 832600 -9.18638 233.513 -97.3439 233.513 -113.413 -134.186 -97.3443 -134.187 -68.3936 GPRESSURE: 832600 -10.4004 113.136 -92.5951 278.349 -83.1183 -178.45 -105.494 -136.364 -5.99147 PRESSAVG: 832600 -57.1495 3.46455 3.22645 3.46456 -7.7909 -7.47324 3.22646 -7.47341 48.9952 GPRESSAVG: 832600 -57.7598 4.44323 0.803581 2.9246 -6.60808 -8.67812 5.27219 -4.0397 48.6622 TIMING: 832600 CPU: 2418.22, 0.00287716/step Wall: 2418.22, 0.00287716/step, 3.33063 hours remaining, 205.144531 MB of memory in use. ENERGY: 832600 721.4560 2096.9269 1945.5032 111.9464 -206026.2617 17770.3064 0.0000 0.0000 34206.9160 -149173.2068 298.7375 -183380.1228 -149075.1196 298.8026 -63.6644 -33.1700 560087.0708 -5.3150 -5.2352 PRESSURE: 832800 -205.703 73.2839 187.119 73.2842 -134.365 121.842 187.119 121.841 89.1571 GPRESSURE: 832800 -178.801 -1.6612 212.763 107.556 -103.761 186.764 235.434 108.754 142.333 PRESSAVG: 832800 -7.60031 30.4067 40.3649 30.4067 -44.821 48.4236 40.365 48.4236 92.563 GPRESSAVG: 832800 -6.58337 28.1555 39.3576 30.7139 -46.4067 50.6668 42.2607 46.2754 93.1854 TIMING: 832800 CPU: 2418.79, 0.00288648/step Wall: 2418.79, 0.00288648/step, 3.34126 hours remaining, 205.144531 MB of memory in use. ENERGY: 832800 768.9281 2070.6751 1981.8714 122.8196 -206232.1207 17806.4547 0.0000 0.0000 34176.9962 -149304.3755 298.4762 -183481.3717 -149205.6147 299.2717 -83.6370 -46.7428 558180.8118 13.3806 13.3984 PRESSURE: 833000 -112.437 -36.2813 95.9066 -36.2805 76.5254 114.609 95.9069 114.607 55.1116 GPRESSURE: 833000 -144.33 -89.588 126.554 1.52191 129.623 106.426 81.3682 36.1973 138.471 PRESSAVG: 833000 -62.7018 24.5904 -11.8329 24.5904 31.5702 60.6418 -11.8329 60.6419 47.5864 GPRESSAVG: 833000 -63.6356 25.3226 -10.1978 25.5852 32.204 60.7475 -15.0199 61.6898 47.9908 TIMING: 833000 CPU: 2419.37, 0.00288464/step Wall: 2419.37, 0.00288464/step, 3.33897 hours remaining, 205.144531 MB of memory in use. ENERGY: 833000 703.5391 2147.5187 1977.2453 114.5991 -206410.5297 17885.0625 0.0000 0.0000 34320.1071 -149262.4579 299.7260 -183582.5650 -149172.1675 298.5386 6.4000 41.2548 558265.9935 5.4849 5.5198 PRESSURE: 833200 -117.052 -135.198 -58.9851 -135.197 278.47 -95.6809 -58.9844 -95.6823 297.836 GPRESSURE: 833200 -107.409 -10.4226 25.8803 -245.314 316.084 -89.9331 -89.0097 -54.3308 348.846 PRESSAVG: 833200 -50.4336 7.46746 13.468 7.46748 7.05089 -4.28549 13.468 -4.28557 45.6587 GPRESSAVG: 833200 -50.0437 8.98399 13.5294 5.27563 7.81016 -5.91456 14.7339 -4.8385 44.4889 TIMING: 833200 CPU: 2419.95, 0.00289048/step Wall: 2419.95, 0.00289048/step, 3.34557 hours remaining, 205.144531 MB of memory in use. ENERGY: 833200 735.9194 2127.6636 1956.6542 115.5070 -206720.4423 18142.8235 0.0000 0.0000 34213.4476 -149428.4271 298.7945 -183641.8747 -149341.3248 298.5217 153.0848 185.8403 555834.3972 0.7587 0.7518 PRESSURE: 833400 52.8371 214.51 72.7098 214.508 -147.66 102.618 72.7104 102.617 159.386 GPRESSURE: 833400 39.5463 299.331 70.3186 140.209 -67.0955 136.027 -29.4125 158.801 183.236 PRESSAVG: 833400 75.648 -29.4181 -75.0482 -29.418 -51.6437 12.5302 -75.0482 12.5303 -14.6111 GPRESSAVG: 833400 76.2364 -31.3837 -74.6174 -28.5726 -53.163 10.9659 -77.2298 13.7451 -13.5065 TIMING: 833400 CPU: 2420.52, 0.00286391/step Wall: 2420.52, 0.00286391/step, 3.31466 hours remaining, 205.144531 MB of memory in use. ENERGY: 833400 709.3385 2092.4460 1969.1251 113.6873 -206314.4908 17796.7144 0.0000 0.0000 34317.6333 -149315.5461 299.7044 -183633.1795 -149212.1885 298.4605 21.5208 51.8955 555937.7085 3.1311 3.1890 PRESSURE: 833600 -225.87 -48.9197 282.876 -48.9197 16.9238 204.173 282.876 204.171 -262.472 GPRESSURE: 833600 -165.851 -123.409 344.526 62.3158 13.1481 337.912 204.31 174.612 -225.667 PRESSAVG: 833600 -37.6854 -17.4849 73.8794 -17.4848 63.889 7.85575 73.8795 7.85576 -65.3799 GPRESSAVG: 833600 -37.5079 -17.7712 74.9484 -18.2559 64.2666 8.72012 74.2331 6.10845 -65.9505 TIMING: 833600 CPU: 2421.1, 0.00288275/step Wall: 2421.1, 0.00288275/step, 3.3363 hours remaining, 205.144531 MB of memory in use. ENERGY: 833600 754.0952 2123.9835 1995.4118 111.1043 -206323.0406 17866.2599 0.0000 0.0000 34019.3222 -149452.8637 297.0992 -183472.1859 -149359.8174 298.3722 -157.1394 -126.1233 558284.5871 -13.0588 -13.0639 PRESSURE: 833800 41.148 44.1283 -47.6048 44.1276 -67.6347 16.3622 -47.605 16.362 -142.791 GPRESSURE: 833800 64.2288 2.16315 9.2159 61.4648 -0.347072 -127.631 -45.9471 68.604 -145.16 PRESSAVG: 833800 36.934 40.1943 5.61095 40.1942 -38.1463 -9.23958 5.61101 -9.23952 -12.305 GPRESSAVG: 833800 35.8324 42.3473 5.06775 39.3736 -37.6856 -9.14491 7.43862 -8.52106 -11.2324 TIMING: 833800 CPU: 2421.67, 0.00288116/step Wall: 2421.67, 0.00288116/step, 3.3343 hours remaining, 205.144531 MB of memory in use. ENERGY: 833800 739.7290 2112.2686 1957.6254 116.6328 -206328.0649 17765.6111 0.0000 0.0000 34213.4187 -149422.7794 298.7943 -183636.1981 -149325.0279 298.9350 -56.4258 -27.0927 558036.9154 -4.5058 -4.3619 PRESSURE: 834000 -159.159 -134.304 140.821 -134.305 -268.092 176.443 140.821 176.443 -179.018 GPRESSURE: 834000 -124.373 -120.037 185.818 -151.723 -275.348 110.243 107.431 208.38 -115.102 PRESSAVG: 834000 18.1515 1.55773 38.1351 1.55772 -17.9777 6.00006 38.1351 6.00009 -58.7022 GPRESSAVG: 834000 19.1306 0.891167 37.013 3.1719 -18.2225 7.91533 37.1809 6.10991 -58.9353 TIMING: 834000 CPU: 2422.25, 0.00288358/step Wall: 2422.25, 0.00288358/step, 3.33694 hours remaining, 205.144531 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: 834000 731.2614 2094.7673 1983.8522 125.7945 -205891.6904 17529.9315 0.0000 0.0000 34165.2278 -149260.8558 298.3734 -183426.0836 -149165.6516 299.0692 -202.0897 -171.6075 559395.0936 -19.5095 -19.3424 PRESSURE: 834200 -249.875 -13.7252 23.7964 -13.7256 -215.633 -142.845 23.7973 -142.843 97.2755 GPRESSURE: 834200 -180.403 7.99306 61.9375 -54.6869 -202.564 -102.913 64.6359 -109.389 110.044 PRESSAVG: 834200 -11.2114 34.8211 70.7809 34.8211 22.9219 8.19648 70.7809 8.19648 -20.4287 GPRESSAVG: 834200 -11.4967 33.4776 70.4288 36.2445 22.3711 7.32137 71.3466 8.65329 -19.5554 TIMING: 834200 CPU: 2422.83, 0.00288416/step Wall: 2422.83, 0.00288416/step, 3.33745 hours remaining, 205.144531 MB of memory in use. ENERGY: 834200 778.7639 2065.4296 1974.3067 111.7253 -205893.0694 17569.2028 0.0000 0.0000 34002.8063 -149390.8348 296.9550 -183393.6410 -149289.5950 298.6640 -122.7442 -90.9743 558494.4299 -2.9060 -2.8937 PRESSURE: 834400 3.91923 -55.0677 25.0137 -55.068 147.835 47.0917 25.0131 47.0916 204.543 GPRESSURE: 834400 51.0579 -38.5207 14.0278 0.610387 164.901 42.3172 -39.8874 -98.7806 244.252 PRESSAVG: 834400 -52.9535 4.79459 43.2537 4.79458 58.3539 -39.3968 43.2537 -39.3969 8.89722 GPRESSAVG: 834400 -53.779 7.58019 41.1516 1.20521 59.5844 -42.2487 42.8498 -40.2246 7.67883 TIMING: 834400 CPU: 2423.4, 0.00287334/step Wall: 2423.4, 0.00287334/step, 3.32477 hours remaining, 205.144531 MB of memory in use. ENERGY: 834400 764.9424 2048.8372 1963.9073 126.0083 -206501.9778 18100.5713 0.0000 0.0000 34078.1833 -149419.5280 297.6133 -183497.7112 -149331.3332 298.8790 118.7660 153.4034 556624.5496 4.7659 4.4947 PRESSURE: 834600 -39.3435 -25.8616 -101.825 -25.8617 -110.591 -82.3169 -101.826 -82.3175 -118.494 GPRESSURE: 834600 -0.155192 58.0754 -144.656 -73.77 -103.361 -70.7622 -136.761 -48.4447 -65.3331 PRESSAVG: 834600 3.98938 34.7651 32.1623 34.7651 2.72724 -47.6481 32.1623 -47.6481 -31.0312 GPRESSAVG: 834600 5.06892 33.199 35.6592 36.7256 2.32063 -45.1387 32.7419 -47.4021 -31.5728 TIMING: 834600 CPU: 2423.98, 0.0028816/step Wall: 2423.98, 0.0028816/step, 3.33417 hours remaining, 205.144531 MB of memory in use. ENERGY: 834600 803.9926 2073.0087 1955.3622 120.1296 -206309.4962 17835.8584 0.0000 0.0000 34138.7877 -149382.3569 298.1425 -183521.1445 -149279.8018 297.9371 -89.4762 -56.2830 558242.2664 -8.1048 -8.0611 PRESSURE: 834800 -252.125 -51.7619 -79.4434 -51.7614 -104.828 268.755 -79.4428 268.754 -140.925 GPRESSURE: 834800 -195.671 18.1648 -38.9214 -123.214 -85.3203 165.258 -11.9598 337.79 -120.914 PRESSAVG: 834800 51.0179 -26.9228 -17.1772 -26.9228 60.4121 43.0121 -17.1773 43.0121 -89.3822 GPRESSAVG: 834800 51.5988 -26.4972 -17.794 -26.8148 60.1991 42.9868 -17.923 43.4484 -89.7742 TIMING: 834800 CPU: 2424.56, 0.00290063/step Wall: 2424.56, 0.00290063/step, 3.35602 hours remaining, 205.144531 MB of memory in use. ENERGY: 834800 701.5520 2127.3707 1953.6501 113.6769 -205973.5879 17580.1316 0.0000 0.0000 34297.9634 -149199.2432 299.5326 -183497.2066 -149098.3058 299.0145 -165.9592 -133.9683 559270.0379 7.3493 7.3412 PRESSURE: 835000 -28.1527 22.4881 67.8488 22.4873 -26.4464 -90.6059 67.8485 -90.6037 -306.721 GPRESSURE: 835000 -79.4796 42.2881 49.0384 49.3362 15.9257 -75.4361 93.9566 -50.3489 -205.693 PRESSAVG: 835000 9.53474 18.5563 -19.7852 18.5563 61.8925 10.6288 -19.7851 10.6288 -25.982 GPRESSAVG: 835000 8.45511 19.803 -19.1339 19.8554 63.1584 11.0948 -18.5022 11.2363 -25.8969 TIMING: 835000 CPU: 2425.14, 0.00288805/step Wall: 2425.14, 0.00288804/step, 3.34131 hours remaining, 205.144531 MB of memory in use. ENERGY: 835000 732.8281 2109.2402 1956.4648 103.3920 -206231.1817 17757.7234 0.0000 0.0000 34369.2735 -149202.2598 300.1554 -183571.5333 -149109.6764 299.2136 -120.4401 -89.7490 558555.8932 15.1484 15.2389 PRESSURE: 835200 -366.927 11.6596 121.158 11.6579 -34.7005 -66.2211 121.157 -66.2195 -372.679 GPRESSURE: 835200 -337.522 22.9145 145.264 -27.2073 -23.3296 -92.454 75.5351 -33.0755 -311.67 PRESSAVG: 835200 -7.02554 31.2002 -20.4342 31.2003 -13.1948 15.9843 -20.434 15.9844 -11.3611 GPRESSAVG: 835200 -6.33593 30.3171 -20.7617 30.3697 -14.9297 17.1311 -20.2695 14.7719 -10.5685 TIMING: 835200 CPU: 2425.71, 0.00288971/step Wall: 2425.71, 0.00288971/step, 3.34307 hours remaining, 205.144531 MB of memory in use. ENERGY: 835200 747.0460 2138.3905 1952.3507 120.8190 -205936.8858 17554.5256 0.0000 0.0000 34487.6884 -148936.0656 301.1896 -183423.7540 -148834.4661 300.3535 -258.1020 -224.1739 559566.2904 -10.5271 -10.6114 PRESSURE: 835400 -135.336 126.746 -61.4978 126.746 27.6973 -88.3057 -61.4971 -88.3051 -167.553 GPRESSURE: 835400 -85.4403 209.716 14.2237 -11.2345 37.0674 -49.8867 -92.7805 -72.9236 -132.682 PRESSAVG: 835400 -15.6774 -29.4135 -1.6171 -29.4135 59.746 8.82303 -1.61714 8.82297 41.3635 GPRESSAVG: 835400 -16.3092 -31.3027 0.151701 -30.6124 59.5429 9.71825 -3.41411 9.92369 41.5734 TIMING: 835400 CPU: 2426.29, 0.00286931/step Wall: 2426.29, 0.00286931/step, 3.31931 hours remaining, 205.144531 MB of memory in use. ENERGY: 835400 740.0146 2076.9464 1981.2785 119.7131 -205900.6365 17516.4241 0.0000 0.0000 34230.2312 -149236.0286 298.9411 -183466.2598 -149131.9110 299.8697 -91.7307 -60.3516 556558.9510 28.4774 28.2690 PRESSURE: 835600 61.8268 10.3145 -22.1111 10.3136 209.965 -69.8093 -22.112 -69.8079 281.833 GPRESSURE: 835600 46.9259 -30.1672 28.9939 42.9145 301.618 -40.9862 -161.87 -143.581 305.153 PRESSAVG: 835600 -10.618 -4.92195 -9.0096 -4.92192 5.80718 35.882 -9.00953 35.882 -31.475 GPRESSAVG: 835600 -10.4196 -4.5519 -9.68748 -3.05266 5.66868 35.5342 -7.94378 35.6556 -32.1527 TIMING: 835600 CPU: 2426.86, 0.00285629/step Wall: 2426.86, 0.00285629/step, 3.30409 hours remaining, 205.144531 MB of memory in use. ENERGY: 835600 722.8195 2078.5168 1970.9212 125.7106 -206297.1770 18020.4749 0.0000 0.0000 34122.9580 -149255.7762 298.0043 -183378.7342 -149154.9881 299.2044 184.5417 217.8991 556144.0051 -12.0953 -12.3012 PRESSURE: 835800 -299.477 -25.417 -42.4475 -25.4166 -64.0982 -45.17 -42.4483 -45.1711 -125.602 GPRESSURE: 835800 -226.81 -88.5658 82.199 -8.16087 -53.4844 -39.2475 -60.5627 -116.871 -110.839 PRESSAVG: 835800 -19.2455 -18.3491 32.7774 -18.3492 28.8444 -7.55072 32.7773 -7.55063 7.64042 GPRESSAVG: 835800 -18.4882 -19.8404 31.1214 -17.8959 28.1331 -7.38937 32.751 -9.07179 7.86444 TIMING: 835800 CPU: 2427.43, 0.00287222/step Wall: 2427.43, 0.00287222/step, 3.32236 hours remaining, 205.144531 MB of memory in use. ENERGY: 835800 754.3049 2140.0579 1957.5595 114.4347 -205716.1567 17411.0056 0.0000 0.0000 34189.6318 -149149.1623 298.5866 -183338.7940 -149050.8743 299.4079 -163.0591 -130.3776 557525.8446 5.7464 5.8365 PRESSURE: 836000 -133.866 112.389 -81.408 112.39 -150.92 90.3896 -81.4078 90.3899 -165.555 GPRESSURE: 836000 -127.568 -32.1876 -119.691 123.816 -98.812 96.3387 -50.8624 -0.573322 -129.379 PRESSAVG: 836000 34.287 -23.0698 -43.3008 -23.0698 19.2244 -21.7445 -43.3008 -21.7445 -43.5639 GPRESSAVG: 836000 33.5088 -20.2046 -44.3124 -25.6275 19.5347 -21.8122 -42.7315 -21.0439 -43.0547 TIMING: 836000 CPU: 2428.01, 0.00286283/step Wall: 2428.01, 0.00286283/step, 3.31134 hours remaining, 205.144531 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: 836000 740.7993 2086.3269 1975.0844 119.6400 -205942.4148 17564.0438 0.0000 0.0000 34354.9459 -149101.5745 300.0303 -183456.5204 -149000.4747 299.4564 -150.1136 -118.5864 559092.5474 3.3158 3.3296 PRESSURE: 836200 -93.3476 5.35904 9.19493 5.35832 -124.81 27.3414 9.1961 27.3416 21.4844 GPRESSURE: 836200 -60.0415 67.4218 40.109 -77.9744 -111.754 12.8182 54.482 16.7092 64.3133 PRESSAVG: 836200 6.72678 -25.0236 -78.1508 -25.0236 2.85576 22.9295 -78.1508 22.9295 -12.0129 GPRESSAVG: 836200 8.15888 -26.8618 -76.7466 -23.287 1.74036 24.3557 -78.0289 23.7287 -12.4065 TIMING: 836200 CPU: 2428.59, 0.00289301/step Wall: 2428.59, 0.00289301/step, 3.34608 hours remaining, 205.144531 MB of memory in use. ENERGY: 836200 778.7891 2118.0226 1957.3169 112.3016 -205874.1650 17646.5518 0.0000 0.0000 34370.8862 -148890.2968 300.1695 -183261.1829 -148800.2279 299.5914 -65.5577 -35.8274 558307.4316 -0.8101 -0.8358 LDB: ============= START OF LOAD BALANCING ============== 2432.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2432.05 LDB: =============== DONE WITH MIGRATION ================ 2432.05 LDB: ============= START OF LOAD BALANCING ============== 2432.34 LDB: Largest compute 4821 load 0.026005 is 22.1% of average load 0.117512 LDB: Average compute 0.001745 is 1.5% of average load 0.117512 LDB: TIME 2432.34 LOAD: AVG 0.117512 MAX 0.179051 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.961 MB LDB: TIME 2432.34 LOAD: AVG 0.117512 MAX 0.179051 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: TIME 2432.34 LOAD: AVG 0.117512 MAX 0.179051 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2432.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2432.35 PRESSURE: 836400 74.5633 -12.859 -189.461 -12.8585 -95.9591 146.67 -189.461 146.67 104.777 GPRESSURE: 836400 71.7851 -24.1688 -148.746 -37.8484 -41.8788 166.477 -238.849 119.783 154.55 PRESSAVG: 836400 44.6121 -45.0806 -19.8199 -45.0807 -81.0913 68.5805 -19.82 68.5805 -23.1144 GPRESSAVG: 836400 43.2542 -44.4291 -19.4195 -46.2476 -79.712 66.0975 -19.6418 68.6812 -22.7487 TIMING: 836400 CPU: 2429.17, 0.00293672/step Wall: 2429.17, 0.00293672/step, 3.39648 hours remaining, 204.113281 MB of memory in use. ENERGY: 836400 732.5305 2076.1054 1972.9110 108.8025 -206110.8802 17852.4233 0.0000 0.0000 34520.5389 -148847.5685 301.4765 -183368.1074 -148755.2930 300.3486 27.7937 61.4854 558947.3099 -19.8645 -19.7355 PRESSURE: 836600 -19.2265 -37.3519 -106.72 -37.3515 -147.938 45.111 -106.719 45.1104 12.1491 GPRESSURE: 836600 21.0046 -6.33141 -202.136 -30.4972 -148.72 21.3983 -168.148 67.6924 62.7443 PRESSAVG: 836600 46.342 -30.537 12.1994 -30.537 -70.278 17.9763 12.1994 17.9764 56.0573 GPRESSAVG: 836600 47.2694 -28.0772 10.6122 -29.5126 -70.284 20.1742 11.6374 16.8969 55.3283 TIMING: 836600 CPU: 2429.75, 0.00288492/step Wall: 2429.75, 0.00288492/step, 3.33641 hours remaining, 204.316406 MB of memory in use. ENERGY: 836600 765.7446 2068.1277 1968.2532 116.0325 -206350.7174 17980.2416 0.0000 0.0000 34301.4708 -149150.8471 299.5633 -183452.3178 -149047.8080 299.4335 -51.6719 -21.6569 559919.1472 10.7071 10.7712 PRESSURE: 836800 300.142 131.427 -31.9944 131.427 96.6637 -16.4196 -31.9938 -16.4196 331.3 GPRESSURE: 836800 315.576 79.1099 -94.1419 112.186 94.1087 11.1434 -114.583 -90.6791 404.352 PRESSAVG: 836800 41.6973 -14.7467 37.0895 -14.7468 -96.7466 25.702 37.0895 25.702 71.8449 GPRESSAVG: 836800 41.281 -16.6744 37.4874 -16.6417 -97.6961 24.098 37.6813 24.6112 72.6287 TIMING: 836800 CPU: 2430.33, 0.00287703/step Wall: 2430.33, 0.00287703/step, 3.32713 hours remaining, 204.519531 MB of memory in use. ENERGY: 836800 694.9532 2124.3420 1948.8969 97.9023 -206526.3969 18299.6458 0.0000 0.0000 34184.7363 -149175.9203 298.5438 -183360.6567 -149084.6668 299.4506 242.7020 271.3455 558228.0383 5.5985 5.4046 PRESSURE: 837000 -76.9637 117.334 96.1984 117.334 101.452 8.81124 96.1981 8.81085 -250.52 GPRESSURE: 837000 -26.2308 127.9 68.9165 184.689 125.561 -13.9883 65.3241 -53.8604 -224.493 PRESSAVG: 837000 53.6704 21.5032 8.96352 21.5031 -55.6973 37.6995 8.96351 37.6995 -7.9879 GPRESSAVG: 837000 53.9309 22.5421 8.59574 23.1263 -54.6028 36.3963 8.09441 39.3188 -8.80428 TIMING: 837000 CPU: 2430.91, 0.00289952/step Wall: 2430.91, 0.00289952/step, 3.35297 hours remaining, 204.519531 MB of memory in use. ENERGY: 837000 736.7793 2097.1214 1967.4163 99.6219 -206078.0470 17696.4964 0.0000 0.0000 34281.7255 -149198.8862 299.3908 -183480.6117 -149101.2424 299.6115 -75.3439 -41.7212 557336.1962 -3.3383 -3.1587 PRESSURE: 837200 -33.3181 138.983 -164.112 138.984 -177.48 7.06738 -164.111 7.06809 43.9779 GPRESSURE: 837200 -22.0173 100.22 -182.119 128.54 -156.674 -63.0137 -168.506 32.3352 109.762 PRESSAVG: 837200 26.4868 27.3064 -45.7504 27.3063 -2.05501 -18.8982 -45.7504 -18.8983 -59.9197 GPRESSAVG: 837200 25.9318 25.5502 -44.8811 26.2833 -2.51307 -18.2149 -45.3905 -18.8884 -58.8624 TIMING: 837200 CPU: 2431.48, 0.00289442/step Wall: 2431.48, 0.00289442/step, 3.34691 hours remaining, 204.519531 MB of memory in use. ENERGY: 837200 726.4416 2080.3970 1945.3441 115.5916 -206098.0241 17908.4987 0.0000 0.0000 34459.7213 -148862.0298 300.9453 -183321.7511 -148765.0503 299.7598 -55.6068 -22.9765 558987.9801 -11.8293 -11.8146 PRESSURE: 837400 207.578 -65.8606 129.36 -65.8602 51.666 64.6111 129.36 64.6115 -184.161 GPRESSURE: 837400 264.357 -80.7384 103.683 -42.1422 74.3827 155.685 128.031 -43.569 -160.615 PRESSAVG: 837400 75.8331 42.4534 -11.1067 42.4534 -1.84663 -11.4662 -11.1066 -11.4663 -44.7742 GPRESSAVG: 837400 76.1147 43.1319 -12.2575 43.8328 -1.43752 -11.925 -12.0083 -11.497 -45.1954 TIMING: 837400 CPU: 2432.06, 0.00290471/step Wall: 2432.06, 0.00290471/step, 3.35865 hours remaining, 204.519531 MB of memory in use. ENERGY: 837400 724.1859 2107.8699 1955.2023 119.6022 -205529.8635 17579.9761 0.0000 0.0000 34270.5247 -148772.5025 299.2930 -183043.0271 -148672.7635 300.7939 25.0274 59.3750 558077.6876 9.7374 9.8272 PRESSURE: 837600 -204.244 74.8111 221.019 74.8112 73.5432 -112.602 221.02 -112.602 -228.396 GPRESSURE: 837600 -181.633 35.0068 222.823 100.576 108.053 -60.4146 235.813 -44.7321 -193.849 PRESSAVG: 837600 61.7272 54.7925 3.25458 54.7925 62.1363 -48.0266 3.25455 -48.0266 -92.5694 GPRESSAVG: 837600 62.4577 54.8564 5.48733 54.65 62.0656 -46.2571 2.75802 -48.4005 -92.9631 TIMING: 837600 CPU: 2432.64, 0.00290032/step Wall: 2432.64, 0.00290032/step, 3.35341 hours remaining, 204.519531 MB of memory in use. ENERGY: 837600 684.5477 2084.2633 1975.3515 110.2950 -205472.7723 17494.5426 0.0000 0.0000 34373.7617 -148750.0106 300.1946 -183123.7723 -148647.5633 299.8664 -119.6989 -89.1428 559439.2681 10.4314 10.5201 PRESSURE: 837800 -43.4735 -69.1645 -108.457 -69.1641 83.4943 -26.8874 -108.458 -26.8865 -26.8187 GPRESSURE: 837800 -30.9765 -106.556 -101.777 -32.7884 111.422 -137.698 -125.727 21.6291 23.9475 PRESSAVG: 837800 -4.34418 -12.7346 23.1473 -12.7345 42.4539 -48.6428 23.1473 -48.6428 -36.2982 GPRESSAVG: 837800 -4.02786 -13.8613 20.1287 -12.7947 41.5653 -53.152 24.8497 -45.4925 -35.5905 TIMING: 837800 CPU: 2433.22, 0.00288582/step Wall: 2433.22, 0.00288582/step, 3.33649 hours remaining, 204.519531 MB of memory in use. ENERGY: 837800 723.6559 2035.6183 1992.7931 119.8986 -205635.1195 17648.9506 0.0000 0.0000 34506.5294 -148607.6737 301.3541 -183114.2031 -148503.6007 300.8316 4.4007 34.7977 557078.8264 0.6039 0.6490 PRESSURE: 838000 -95.6392 -60.6188 27.3966 -60.6195 -41.9699 55.6829 27.3968 55.6828 2.02074 GPRESSURE: 838000 -94.8821 -76.9068 -26.5859 -61.9932 -9.37518 115.747 63.4635 -35.7584 75.4486 PRESSAVG: 838000 30.2232 2.00886 11.2256 2.00886 -43.7268 1.93978 11.2256 1.93994 20.5763 GPRESSAVG: 838000 28.6361 2.03845 13.6137 1.72288 -42.9469 7.293 9.4687 -1.5283 21.3119 TIMING: 838000 CPU: 2433.8, 0.00288185/step Wall: 2433.8, 0.00288185/step, 3.33173 hours remaining, 204.519531 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: 838000 716.4654 2099.4594 1969.1635 104.2024 -205629.9937 17680.2667 0.0000 0.0000 34482.1693 -148578.2670 301.1414 -183060.4363 -148476.4538 300.7044 -45.1961 -9.6029 560107.8140 2.3575 2.3337 PRESSURE: 838200 -154.358 -47.8034 -122.25 -47.8035 171.931 -42.7584 -122.249 -42.7585 67.0105 GPRESSURE: 838200 -29.9078 -60.2004 -154.67 -10.6378 159.886 -27.4547 -57.7242 -116.417 43.0008 PRESSAVG: 838200 25.5012 -51.2858 -16.3759 -51.2858 -6.85656 -43.4439 -16.3758 -43.444 -71.5547 GPRESSAVG: 838200 28.7657 -51.0898 -17.9803 -50.2915 -8.96664 -45.4403 -14.2895 -41.3132 -72.6566 TIMING: 838200 CPU: 2434.38, 0.00288902/step Wall: 2434.38, 0.00288902/step, 3.33987 hours remaining, 204.519531 MB of memory in use. ENERGY: 838200 700.9085 2143.4999 1972.7598 109.5333 -205449.2778 17560.2381 0.0000 0.0000 34298.4574 -148663.8808 299.5370 -182962.3382 -148566.7298 301.0592 28.1944 57.6597 557996.7295 -17.6367 -17.6192 PRESSURE: 838400 -77.7517 167.536 9.71953 167.537 112.862 24.4759 9.71903 24.4762 -161.132 GPRESSURE: 838400 -12.4506 168.749 -28.6846 72.602 148.255 85.73 13.6376 -50.8164 -172.586 PRESSAVG: 838400 18.5129 3.51135 3.93783 3.51135 93.2494 -42.7731 3.93778 -42.7731 -88.9653 GPRESSAVG: 838400 17.3629 5.40813 6.41073 2.18626 94.0715 -40.9002 3.6068 -45.0625 -88.4577 TIMING: 838400 CPU: 2434.95, 0.00288412/step Wall: 2434.95, 0.00288412/step, 3.33405 hours remaining, 204.722656 MB of memory in use. ENERGY: 838400 764.2238 2072.0329 1972.2093 105.2752 -206093.8305 17850.8526 0.0000 0.0000 34427.4043 -148901.8324 300.6631 -183329.2367 -148809.5647 300.4355 -42.0073 -12.2604 558964.0415 7.5990 7.6589 PRESSURE: 838600 -82.9746 -122.569 -60.8393 -122.568 112.361 27.4301 -60.839 27.4301 156.267 GPRESSURE: 838600 -44.0035 -78.0998 -64.9234 -116.392 130.98 0.836269 34.4298 -38.5967 196.245 PRESSAVG: 838600 -12.0945 -21.5637 35.6728 -21.5637 -50.6082 18.9673 35.6727 18.9673 30.6853 GPRESSAVG: 838600 -13.4255 -23.3769 32.772 -21.7558 -50.1475 19.8744 36.4193 18.9913 30.9989 TIMING: 838600 CPU: 2435.53, 0.00288226/step Wall: 2435.53, 0.00288226/step, 3.33173 hours remaining, 204.722656 MB of memory in use. ENERGY: 838600 777.5315 2088.6400 1994.0228 108.0049 -206231.8168 17941.2685 0.0000 0.0000 34476.7139 -148845.6352 301.0937 -183322.3491 -148751.9982 300.5186 61.8844 94.4073 557454.9970 -10.6725 -10.8580 PRESSURE: 838800 -136.298 -197.543 -28.5129 -197.542 -196.267 19.5103 -28.5123 19.5123 3.21869 GPRESSURE: 838800 -99.9953 -292.304 -1.89142 -97.7043 -186.601 1.48805 -54.534 -23.1336 52.9661 PRESSAVG: 838800 -38.5466 -42.3063 29.1094 -42.3064 -27.2256 -22.4228 29.1095 -22.423 36.4007 GPRESSAVG: 838800 -38.8853 -42.7468 30.6218 -42.8005 -27.6715 -26.1482 28.6002 -21.5777 36.9867 TIMING: 838800 CPU: 2436.11, 0.00288277/step Wall: 2436.11, 0.00288277/step, 3.33216 hours remaining, 204.722656 MB of memory in use. ENERGY: 838800 765.4481 2112.1594 1962.9252 121.4298 -206072.6340 17658.1730 0.0000 0.0000 34499.7555 -148952.7430 301.2949 -183452.4985 -148862.3425 300.6021 -109.7822 -77.8766 557825.6367 -9.7905 -9.8567 PRESSURE: 839000 107.777 -147.013 122.652 -147.011 -76.5051 131.054 122.651 131.054 -30.7475 GPRESSURE: 839000 104.375 -120.485 228.644 -139.841 1.86393 56.4217 96.8178 128.851 6.86746 PRESSAVG: 839000 29.5789 -30.5038 16.3545 -30.5038 7.79821 -13.9037 16.3545 -13.9037 -0.929143 GPRESSAVG: 839000 30.8874 -29.9962 16.6334 -30.7125 7.5486 -11.8511 16.3006 -13.4442 -2.65857 TIMING: 839000 CPU: 2436.69, 0.00290697/step Wall: 2436.69, 0.00290697/step, 3.35998 hours remaining, 204.722656 MB of memory in use. ENERGY: 839000 737.0823 2160.2408 1965.3088 117.7148 -206039.0710 17769.3729 0.0000 0.0000 34386.0684 -148903.2829 300.3021 -183289.3513 -148804.3491 301.1399 0.1747 37.7021 557526.3679 12.1493 11.9258 PRESSURE: 839200 -0.356462 -162.56 94.7128 -162.56 -29.8048 -61.455 94.7125 -61.4565 66.4756 GPRESSURE: 839200 81.3345 -147.68 114.467 -242.962 -44.1388 -53.2664 87.3215 -106.835 91.9945 PRESSAVG: 839200 36.5455 -33.0929 -24.6155 -33.0931 8.72528 -43.6835 -24.6154 -43.6835 -48.1131 GPRESSAVG: 839200 36.5494 -33.8053 -25.5015 -32.9033 8.48847 -43.7711 -25.4395 -45.1694 -47.4239 TIMING: 839200 CPU: 2437.27, 0.00290299/step Wall: 2437.27, 0.00290299/step, 3.35521 hours remaining, 204.722656 MB of memory in use. ENERGY: 839200 781.0848 2094.2745 1962.0102 116.9680 -206395.7377 17848.1761 0.0000 0.0000 34660.8484 -148932.3756 302.7018 -183593.2240 -148838.3658 300.2009 12.1048 43.0634 557756.7888 -0.9474 -0.7954 PRESSURE: 839400 134.714 -231.966 -163.048 -231.966 -30.2054 -125.884 -163.048 -125.884 -75.0359 GPRESSURE: 839400 133.526 -225.989 -175.314 -178.861 -1.28712 -84.4915 -123.786 -204.417 2.88211 PRESSAVG: 839400 25.9251 -12.3945 -10.7373 -12.3946 -71.7739 -18.7861 -10.7372 -18.7861 23.2839 GPRESSAVG: 839400 25.0879 -10.0254 -11.4821 -14.0011 -71.1113 -17.329 -9.57666 -20.2282 24.1877 TIMING: 839400 CPU: 2437.84, 0.00287827/step Wall: 2437.84, 0.00287827/step, 3.32648 hours remaining, 204.722656 MB of memory in use. ENERGY: 839400 739.5231 2080.9702 1966.9233 112.2778 -206131.1876 17730.2102 0.0000 0.0000 34560.7697 -148940.5135 301.8278 -183501.2831 -148846.4168 299.9262 9.8242 45.0405 557516.6211 -7.5216 -7.2786 PRESSURE: 839600 -48.5331 3.12445 118.381 3.1244 -28.6754 -49.5209 118.38 -49.5221 5.73866 GPRESSURE: 839600 -71.0703 48.263 31.7907 84.6378 49.4819 21.0221 155.347 -42.2394 47.9671 PRESSAVG: 839600 6.07384 -44.5332 15.1457 -44.5332 -26.6963 -23.6654 15.1457 -23.6655 53.6019 GPRESSAVG: 839600 5.51611 -45.7801 17.4582 -42.227 -26.149 -24.9475 13.2933 -21.4747 53.4316 TIMING: 839600 CPU: 2438.42, 0.00289506/step Wall: 2438.42, 0.00289506/step, 3.34572 hours remaining, 204.722656 MB of memory in use. ENERGY: 839600 786.4364 2125.1216 1960.4559 115.9624 -206129.0051 17788.6035 0.0000 0.0000 34252.8300 -149099.5952 299.1385 -183352.4252 -149009.2487 299.9009 -23.8233 8.7929 556941.4492 10.9932 10.9329 PRESSURE: 839800 96.3027 78.5541 -0.949882 78.555 184.841 -142.375 -0.949667 -142.376 27.1549 GPRESSURE: 839800 160.746 132.559 -58.189 114.809 185.052 -188.426 24.7328 -165.938 56.0304 PRESSAVG: 839800 -122.211 -3.00273 -42.4853 -3.00271 20.2667 -25.7751 -42.4853 -25.7751 55.3028 GPRESSAVG: 839800 -121.443 -1.4458 -44.0303 -3.56931 20.9612 -24.5478 -41.7209 -26.0978 54.4528 TIMING: 839800 CPU: 2439, 0.00289311/step Wall: 2439, 0.00289311/step, 3.3433 hours remaining, 204.722656 MB of memory in use. ENERGY: 839800 774.4753 2101.9573 1965.8245 118.3343 -206380.9258 18003.0620 0.0000 0.0000 34413.1159 -149004.1565 300.5383 -183417.2724 -148904.8617 299.9967 102.7663 133.9429 556410.8662 -15.5472 -15.3430 PRESSURE: 840000 -8.55555 11.3146 -143.165 11.3142 201.718 -122.203 -143.164 -122.202 -82.1438 GPRESSURE: 840000 60.73 55.4858 -134.617 -32.2048 214.846 -78.3768 -170.745 -152.811 -69.7603 PRESSAVG: 840000 -61.6613 43.8202 -28.3278 43.8202 -8.0512 -48.8515 -28.3278 -48.8514 56.6645 GPRESSAVG: 840000 -60.6663 43.8795 -26.9303 42.7546 -8.78751 -49.0713 -30.1837 -49.3963 57.0573 TIMING: 840000 CPU: 2439.58, 0.00290433/step Wall: 2439.58, 0.00290433/step, 3.35611 hours remaining, 204.722656 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: 840000 784.0033 2103.2807 1935.3299 98.3877 -206319.2987 18166.6979 0.0000 0.0000 34160.2820 -149071.3172 298.3302 -183231.5992 -148970.7956 299.4934 37.0062 68.6052 559828.1809 -4.3493 -4.1322 PRESSURE: 840200 -265.501 -89.9508 -23.9652 -89.9514 112 46.6315 -23.9648 46.6313 24.7915 GPRESSURE: 840200 -192.53 -18.7426 10.4178 -138.517 87.2579 -2.78922 -42.3184 120.651 57.8928 PRESSAVG: 840200 -57.7846 23.4653 8.86109 23.4654 78.619 -21.7977 8.86107 -21.7978 -52.3069 GPRESSAVG: 840200 -57.0842 19.8617 8.5345 26.6697 78.3629 -21.1601 9.49429 -21.1468 -53.1321 TIMING: 840200 CPU: 2440.16, 0.00289375/step Wall: 2440.16, 0.00289375/step, 3.34373 hours remaining, 204.722656 MB of memory in use. ENERGY: 840200 719.6128 2115.0287 1930.0245 116.5143 -205965.8888 17662.1270 0.0000 0.0000 34364.0448 -149058.5366 300.1098 -183422.5815 -148965.2471 300.0219 -42.9030 -15.7930 558548.2237 -10.4908 -10.6178 LDB: ============= START OF LOAD BALANCING ============== 2443.63 LDB: ============== END OF LOAD BALANCING =============== 2443.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2443.63 LDB: ============= START OF LOAD BALANCING ============== 2443.92 LDB: Largest compute 4820 load 0.025803 is 21.9% of average load 0.117588 LDB: Average compute 0.001737 is 1.5% of average load 0.117588 LDB: TIME 2443.92 LOAD: AVG 0.117588 MAX 0.176557 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.043 MB LDB: TIME 2443.92 LOAD: AVG 0.117588 MAX 0.176557 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: TIME 2443.92 LOAD: AVG 0.117588 MAX 0.176557 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2443.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2443.93 PRESSURE: 840400 -317.929 -38.6953 90.5877 -38.6948 172.697 -15.1365 90.5878 -15.137 -68.108 GPRESSURE: 840400 -236.635 -56.5312 80.324 -78.8883 180.568 10.4485 77.4586 -6.46042 -70.7415 PRESSAVG: 840400 -102.741 -25.328 -17.5022 -25.3281 137.867 -41.1936 -17.5022 -41.1935 -38.0435 GPRESSAVG: 840400 -104.747 -22.3905 -16.5524 -27.7923 137.69 -41.9279 -16.2375 -40.6728 -36.4482 TIMING: 840400 CPU: 2440.75, 0.00294774/step Wall: 2440.75, 0.00294774/step, 3.40595 hours remaining, 204.191406 MB of memory in use. ENERGY: 840400 734.8069 2085.1698 1935.2309 106.4219 -205849.3348 17681.2004 0.0000 0.0000 34202.6457 -149103.8593 298.7002 -183306.5049 -149016.0969 299.5686 -71.1133 -42.2696 557511.9568 -0.9725 -1.1683 PRESSURE: 840600 239.386 10.1727 0.124862 10.1721 242.309 15.8238 0.124281 15.824 182.26 GPRESSURE: 840600 274.394 -42.3991 -93.4906 78.964 231.53 46.2336 -32.8856 -30.5125 239.27 PRESSAVG: 840600 21.7035 -8.55971 7.49723 -8.55985 49.0308 12.1754 7.49729 12.1753 -99.5244 GPRESSAVG: 840600 21.8171 -8.12659 5.89514 -8.40867 48.5648 12.2228 7.20836 12.2076 -99.6159 TIMING: 840600 CPU: 2441.33, 0.00291384/step Wall: 2441.33, 0.00291384/step, 3.36662 hours remaining, 204.191406 MB of memory in use. ENERGY: 840600 694.9360 2103.5687 1953.3874 111.5040 -206473.0120 18180.5857 0.0000 0.0000 34301.3511 -149127.6791 299.5622 -183429.0302 -149027.8622 299.2041 221.3181 248.3980 557432.6340 -9.5967 -9.7447 PRESSURE: 840800 232.687 65.0584 62.9754 65.0598 49.7175 -154.025 62.9749 -154.026 -111.219 GPRESSURE: 840800 195.385 -13.2165 -4.51147 100.997 97.2015 -143.128 159.002 -175.25 -33.7522 PRESSAVG: 840800 4.70118 -10.2105 -23.0904 -10.2104 38.8325 -34.8557 -23.0904 -34.8557 -85.0767 GPRESSAVG: 840800 5.28078 -10.8307 -21.887 -11.0825 38.3157 -35.2934 -23.9924 -35.5927 -85.6297 TIMING: 840800 CPU: 2441.91, 0.00290096/step Wall: 2441.91, 0.00290096/step, 3.35157 hours remaining, 204.191406 MB of memory in use. ENERGY: 840800 730.7848 2143.9400 1918.9779 106.8005 -205847.9140 17640.3385 0.0000 0.0000 34109.9760 -149197.0963 297.8909 -183307.0723 -149099.4238 299.3079 57.0620 86.2782 557062.9415 -13.8477 -14.0111 PRESSURE: 841000 19.9907 -13.4717 -61.5985 -13.4724 -273.875 37.6948 -61.5988 37.6946 -206.922 GPRESSURE: 841000 19.7986 19.8727 -109.825 -6.32948 -154.138 -3.22314 -60.7496 25.6293 -230.401 PRESSAVG: 841000 -35.8904 14.8629 -49.8907 14.8628 0.968586 -16.5956 -49.8907 -16.5956 4.00833 GPRESSAVG: 841000 -36.0183 14.0619 -50.8678 16.343 0.515193 -16.8706 -49.1806 -15.2334 3.92194 TIMING: 841000 CPU: 2442.5, 0.00291816/step Wall: 2442.5, 0.00291816/step, 3.37129 hours remaining, 204.191406 MB of memory in use. ENERGY: 841000 783.5063 2173.9517 1944.6060 103.9204 -205903.8413 17599.5740 0.0000 0.0000 33995.0341 -149303.2489 296.8871 -183298.2830 -149213.2470 298.4082 -153.6022 -121.5802 558100.8325 -10.3045 -10.5271 PRESSURE: 841200 -34.5055 61.9912 16.9575 61.9919 -158.167 -126.479 16.9583 -126.479 43.7698 GPRESSURE: 841200 -22.3307 8.26293 6.04833 9.8745 -145.647 -122.031 -16.5388 -132.531 122.78 PRESSAVG: 841200 -18.5231 30.9308 34.4151 30.9309 49.0179 -16.4818 34.4151 -16.4818 -6.46376 GPRESSAVG: 841200 -20.4401 30.3517 35.3271 31.8519 50.9493 -15.4393 33.6869 -17.6522 -6.58864 TIMING: 841200 CPU: 2443.08, 0.00290742/step Wall: 2443.08, 0.00290742/step, 3.35872 hours remaining, 204.480469 MB of memory in use. ENERGY: 841200 794.1892 2074.7999 1958.6923 106.9664 -206084.8137 17850.9541 0.0000 0.0000 34116.3208 -149182.8910 297.9463 -183299.2117 -149073.2854 298.5605 -49.6344 -15.0659 557699.6736 8.0103 7.9735 PRESSURE: 841400 -42.6721 -58.7591 198.584 -58.7578 27.8469 6.16103 198.585 6.16017 -121.472 GPRESSURE: 841400 18.2208 -8.36315 130.096 3.81671 52.0859 153.799 294.48 -67.347 -98.4107 PRESSAVG: 841400 22.7082 -25.2261 6.95422 -25.226 42.4689 -30.8163 6.95418 -30.8163 -18.7381 GPRESSAVG: 841400 23.124 -25.3337 7.58314 -25.0261 41.4295 -32.0115 7.485 -29.4245 -18.186 TIMING: 841400 CPU: 2443.66, 0.00292275/step Wall: 2443.66, 0.00292275/step, 3.37626 hours remaining, 204.480469 MB of memory in use. ENERGY: 841400 739.8443 2135.0758 1979.3970 112.5437 -205763.0755 17497.3256 0.0000 0.0000 34182.2285 -149116.6605 298.5219 -183298.8890 -149021.9272 298.7083 -45.4326 -9.3680 556511.4518 15.4797 15.4558 PRESSURE: 841600 -93.6943 -136.215 58.7931 -136.215 -218.328 -132.726 58.792 -132.725 -39.4787 GPRESSURE: 841600 -40.5308 -166.896 28.2425 -93.1178 -142.121 -158.602 58.4984 -115.932 -78.3202 PRESSAVG: 841600 15.9885 -60.8878 66.7593 -60.8878 31.7039 54.6062 66.7594 54.6063 -47.2114 GPRESSAVG: 841600 16.9447 -60.513 64.3113 -62.9556 31.3274 54.9072 68.4255 53.2705 -47.6609 TIMING: 841600 CPU: 2444.24, 0.00289177/step Wall: 2444.24, 0.00289177/step, 3.34032 hours remaining, 204.542969 MB of memory in use. ENERGY: 841600 743.4539 2153.4807 1947.8573 110.3344 -205653.7341 17514.2687 0.0000 0.0000 34224.2274 -148960.1117 298.8887 -183184.3391 -148867.4193 299.3424 -117.1671 -86.9907 557814.3575 0.1603 0.2037 PRESSURE: 841800 69.48 -88.6102 -45.628 -88.6098 -74.4639 -93.0826 -45.6278 -93.0822 186.364 GPRESSURE: 841800 28.4501 -158.424 -59.476 -53.564 -14.3519 -166.656 -29.3988 -100.658 266.51 PRESSAVG: 841800 -56.647 -0.0703343 -26.1391 -0.0703154 32.8542 17.133 -26.1392 17.133 6.41144 GPRESSAVG: 841800 -57.7806 0.669544 -25.2549 -1.74024 33.051 17.7301 -26.9898 15.5148 7.32705 TIMING: 841800 CPU: 2444.82, 0.00288948/step Wall: 2444.82, 0.00288948/step, 3.33751 hours remaining, 204.542969 MB of memory in use. ENERGY: 841800 768.2343 2150.6235 1943.7135 123.0394 -206188.8970 17837.2039 0.0000 0.0000 34112.8682 -149253.2143 297.9162 -183366.0825 -149157.8356 299.2497 60.4599 93.5360 555856.2145 -5.7938 -5.8008 PRESSURE: 842000 83.9044 -18.649 46.254 -18.6489 -241.075 -169.48 46.2547 -169.48 -220.761 GPRESSURE: 842000 75.2443 -80.0739 5.64814 73.3183 -205.735 -245.478 88.0483 -188.237 -146.671 PRESSAVG: 842000 70.4471 -18.9864 53.6657 -18.9863 -7.36551 -12.6874 53.6657 -12.6873 -62.738 GPRESSAVG: 842000 71.3346 -19.6926 54.631 -16.5006 -7.69477 -14.6902 53.4107 -10.4804 -63.3922 TIMING: 842000 CPU: 2445.4, 0.00290814/step Wall: 2445.4, 0.00290814/step, 3.3589 hours remaining, 204.542969 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: 842000 738.5317 2180.9872 1974.2603 114.1693 -206062.4989 17588.9208 0.0000 0.0000 34101.8439 -149363.7856 297.8199 -183465.6295 -149261.3919 298.4624 -125.9772 -92.3874 558357.8758 0.1145 0.0825 PRESSURE: 842200 -88.3667 108.803 65.1954 108.802 -88.8811 64.6208 65.1948 64.6203 221.395 GPRESSURE: 842200 -35.2704 15.2532 17.2564 128.577 -28.4728 -38.4539 -12.2282 198.672 199.743 PRESSAVG: 842200 -5.15158 17.1398 11.3409 17.1398 -4.51426 -27.2806 11.341 -27.2806 -19.7739 GPRESSAVG: 842200 -5.43603 19.5566 10.4832 17.1649 -4.88127 -27.7911 11.3957 -25.6668 -18.9142 TIMING: 842200 CPU: 2445.98, 0.00290318/step Wall: 2445.98, 0.00290318/step, 3.35301 hours remaining, 204.542969 MB of memory in use. ENERGY: 842200 732.2775 2100.9571 1939.4867 114.4219 -206402.5241 17881.2319 0.0000 0.0000 34259.1802 -149374.9688 299.1939 -183634.1489 -149275.3836 298.8328 14.7158 45.3332 557502.3235 -9.8133 -9.7438 PRESSURE: 842400 68.43 4.5166 -66.9791 4.51668 49.2513 6.7817 -66.9787 6.78093 -98.6759 GPRESSURE: 842400 132.615 -35.1564 -75.8324 -60.8079 68.0199 -20.6987 -86.3672 85.4266 -84.5252 PRESSAVG: 842400 27.2265 1.69518 -23.0615 1.69519 30.935 -28.5986 -23.0615 -28.5986 -37.1937 GPRESSAVG: 842400 27.6112 1.73643 -22.494 1.06482 32.7139 -28.3441 -25.7868 -27.883 -39.1877 TIMING: 842400 CPU: 2446.56, 0.00290642/step Wall: 2446.56, 0.00290642/step, 3.35659 hours remaining, 204.542969 MB of memory in use. ENERGY: 842400 751.0928 2170.8033 1935.8041 109.7190 -206362.6275 17885.8216 0.0000 0.0000 34182.4209 -149326.9657 298.5236 -183509.3866 -149226.5120 298.9564 6.3352 38.7033 557110.6380 6.9893 7.0458 PRESSURE: 842600 214.548 -33.029 21.7779 -33.0271 132.427 9.53404 21.7766 9.53346 152.801 GPRESSURE: 842600 288.981 -26.5154 43.4859 -10.0437 94.0248 30.3691 -7.63099 -27.1428 212.487 PRESSAVG: 842600 20.7165 -7.58959 -26.559 -7.58953 -16.5541 11.8549 -26.5591 11.8548 -1.66545 GPRESSAVG: 842600 21.0724 -9.70937 -27.4643 -7.21587 -18.1003 14.6748 -24.9323 7.78002 -0.512776 TIMING: 842600 CPU: 2447.14, 0.00289998/step Wall: 2447.14, 0.00289998/step, 3.349 hours remaining, 204.542969 MB of memory in use. ENERGY: 842600 725.8923 2083.8374 1970.9762 125.2916 -206706.7049 18196.6143 0.0000 0.0000 34199.8006 -149404.2925 298.6754 -183604.0931 -149311.9791 298.5187 166.5921 198.4977 558453.1115 0.8323 0.8198 PRESSURE: 842800 332.244 -41.7908 -31.3502 -41.7901 46.1841 -23.0333 -31.3503 -23.0332 -6.26024 GPRESSURE: 842800 309.585 -79.5404 25.3941 -64.9813 91.6236 -106.81 -55.0022 30.0006 63.8184 PRESSAVG: 842800 -30.3406 10.0943 16.3466 10.0943 -2.40705 17.9712 16.3467 17.9712 53.0747 GPRESSAVG: 842800 -31.1048 10.5445 18.9843 9.73377 -1.11772 16.8011 16.1659 23.3523 52.2667 TIMING: 842800 CPU: 2447.72, 0.00287478/step Wall: 2447.72, 0.00287478/step, 3.31973 hours remaining, 204.558594 MB of memory in use. ENERGY: 842800 766.0965 2102.0209 1997.1604 120.8380 -206741.6633 18216.6790 0.0000 0.0000 34202.5381 -149336.3304 298.6993 -183538.8684 -149241.7841 298.3956 124.0560 155.0090 557591.9478 6.7757 6.6814 PRESSURE: 843000 -126.418 -69.8771 33.4248 -69.8782 -122.895 24.7988 33.4244 24.7994 -179.018 GPRESSURE: 843000 -98.5752 -94.8229 -67.3787 -77.0113 -63.3464 21.7898 51.2942 77.9263 -166.59 PRESSAVG: 843000 30.3959 18.4799 6.31982 18.4799 7.81992 70.3244 6.31978 70.3246 -40.4458 GPRESSAVG: 843000 29.4521 18.2195 4.63468 17.8733 8.11462 70.5721 5.70357 69.2832 -40.1038 TIMING: 843000 CPU: 2448.3, 0.00288787/step Wall: 2448.3, 0.00288787/step, 3.33469 hours remaining, 204.558594 MB of memory in use. ENERGY: 843000 791.7876 2121.5991 1938.3910 114.0833 -205923.9930 17633.8750 0.0000 0.0000 34232.2645 -149091.9925 298.9589 -183324.2570 -149001.8098 298.5725 -142.7772 -109.5039 558897.8231 -0.7433 -0.8457 PRESSURE: 843200 -82.2677 138.208 104.791 138.208 -12.0811 -11.0795 104.79 -11.0785 -188.639 GPRESSURE: 843200 -55.1503 153.58 -11.2995 132.331 5.18634 11.4274 124.072 -65.5326 -139.019 PRESSAVG: 843200 9.03517 -13.6535 66.9942 -13.6536 22.8116 7.76281 66.9942 7.76284 -31.1375 GPRESSAVG: 843200 9.70207 -12.0516 67.358 -14.1134 21.598 6.58163 68.4988 6.42982 -30.9701 TIMING: 843200 CPU: 2448.87, 0.00289485/step Wall: 2448.87, 0.00289485/step, 3.34258 hours remaining, 204.558594 MB of memory in use. ENERGY: 843200 771.5089 2085.6845 1957.0650 107.2872 -206053.4121 17626.7827 0.0000 0.0000 34253.4766 -149251.6071 299.1441 -183505.0837 -149164.3070 298.8757 -94.3294 -62.9942 557446.8674 0.2364 0.1100 PRESSURE: 843400 -77.4955 -149.616 -1.2465 -149.617 -245.132 118.561 -1.24556 118.562 -43.5115 GPRESSURE: 843400 -38.5056 -147.433 78.316 -42.8208 -204.685 87.982 12.0085 18.9485 -31.9816 PRESSAVG: 843400 -13.1543 23.5093 -9.88719 23.5095 65.6477 13.6947 -9.88715 13.6948 -10.3408 GPRESSAVG: 843400 -12.6647 22.0235 -9.88653 23.9061 65.5561 14.0631 -11.7167 16.3933 -10.8605 TIMING: 843400 CPU: 2449.45, 0.00289634/step Wall: 2449.45, 0.00289634/step, 3.34415 hours remaining, 204.558594 MB of memory in use. ENERGY: 843400 743.6281 2095.7564 1939.3389 101.9755 -205940.5207 17618.7763 0.0000 0.0000 34008.0825 -149432.9630 297.0010 -183441.0455 -149327.1499 299.1216 -122.0465 -91.7242 557632.3551 14.0509 14.0103 PRESSURE: 843600 -151.367 149.108 -147.544 149.107 -39.1682 -141.808 -147.543 -141.809 -91.2799 GPRESSURE: 843600 -161.609 73.72 -114.281 118.154 25.3207 -180.319 -174.125 -74.5494 -49.185 PRESSAVG: 843600 39.6907 -48.6782 -50.8194 -48.6783 46.4546 -10.2975 -50.8194 -10.2976 -60.6141 GPRESSAVG: 843600 40.0761 -50.1478 -51.3337 -47.8958 46.7694 -9.22519 -49.2302 -12.4103 -61.3597 TIMING: 843600 CPU: 2450.03, 0.002897/step Wall: 2450.03, 0.002897/step, 3.34475 hours remaining, 204.558594 MB of memory in use. ENERGY: 843600 754.9089 2145.2173 1970.3129 113.1861 -206468.2951 17927.5650 0.0000 0.0000 34136.0510 -149421.0540 298.1186 -183557.1050 -149325.6013 298.6865 -93.9384 -61.8245 558493.4738 8.5104 8.4953 PRESSURE: 843800 8.25081 14.7474 -80.0692 14.7471 -88.7923 165.703 -80.0706 165.702 187.766 GPRESSURE: 843800 75.7378 -26.4056 -94.522 102.169 -84.0339 206.65 -49.4325 59.5767 206.008 PRESSAVG: 843800 -8.56723 -45.9875 -6.55595 -45.9874 10.8895 15.5954 -6.556 15.5954 -4.56767 GPRESSAVG: 843800 -8.22928 -44.5286 -8.14607 -44.4817 10.2006 14.9876 -5.4295 15.7547 -3.57453 TIMING: 843800 CPU: 2450.61, 0.0029059/step Wall: 2450.61, 0.0029059/step, 3.35486 hours remaining, 204.558594 MB of memory in use. ENERGY: 843800 747.7165 2072.2004 1961.2692 113.5522 -206206.2429 17940.0700 0.0000 0.0000 34121.8041 -149249.6306 297.9942 -183371.4346 -149157.5757 298.4291 35.7417 65.9040 557692.1731 -0.7485 -0.5344 PRESSURE: 844000 -91.8367 120.671 37.0262 120.672 -16.2203 -40.1939 37.0254 -40.1938 -100.784 GPRESSURE: 844000 7.08519 123.056 76.3959 132.738 -15.5547 86.8521 0.295826 -28.5667 -97.7737 PRESSAVG: 844000 -4.69704 69.5197 7.76626 69.5197 31.106 6.04536 7.76625 6.04544 -4.4193 GPRESSAVG: 844000 -6.50262 66.7437 7.64163 68.5594 32.973 4.72756 6.98932 5.7651 -3.98815 TIMING: 844000 CPU: 2451.19, 0.00289361/step Wall: 2451.19, 0.00289361/step, 3.34051 hours remaining, 204.558594 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: 844000 742.6205 2121.5236 1970.4123 117.7160 -206086.3103 17755.3969 0.0000 0.0000 34153.1400 -149225.5010 298.2679 -183378.6411 -149138.8735 298.7838 -69.6138 -35.4144 558302.0212 7.3299 7.4941 PRESSURE: 844200 214.085 8.9625 165.501 8.96263 46.4395 21.9653 165.5 21.9656 62.2529 GPRESSURE: 844200 208.7 -46.7807 30.5484 15.9677 112.196 -4.44329 215.605 80.7337 95.1546 PRESSAVG: 844200 -41.9544 17.797 44.2948 17.797 26.7053 51.6967 44.2948 51.6967 -15.8941 GPRESSAVG: 844200 -39.9704 19.323 46.586 17.1763 24.3832 54.5434 44.2276 52.6768 -16.2815 TIMING: 844200 CPU: 2451.77, 0.00289871/step Wall: 2451.77, 0.00289871/step, 3.34623 hours remaining, 204.558594 MB of memory in use. ENERGY: 844200 732.4727 2099.7491 1966.7338 113.6420 -206405.3820 18008.1759 0.0000 0.0000 34176.6690 -149307.9395 298.4734 -183484.6085 -149211.9970 299.4286 107.5924 138.6836 555996.5898 -10.3811 -10.6229 LDB: ============= START OF LOAD BALANCING ============== 2455.24 LDB: ============== END OF LOAD BALANCING =============== 2455.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2455.24 LDB: ============= START OF LOAD BALANCING ============== 2455.53 LDB: Largest compute 4820 load 0.026955 is 22.9% of average load 0.117569 LDB: Average compute 0.001736 is 1.5% of average load 0.117569 LDB: TIME 2455.53 LOAD: AVG 0.117569 MAX 0.176871 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 2455.53 LOAD: AVG 0.117569 MAX 0.176871 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.312 MB LDB: TIME 2455.53 LOAD: AVG 0.117569 MAX 0.176871 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.312 MB LDB: ============== END OF LOAD BALANCING =============== 2455.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2455.54 PRESSURE: 844400 -104.758 -5.09122 -140.02 -5.09053 -169.73 48.3503 -140.019 48.3488 -119.356 GPRESSURE: 844400 -62.7393 -69.5024 -156.546 -41.6668 -178.472 59.1724 -80.6137 50.427 -54.4896 PRESSAVG: 844400 -7.50861 -59.5658 -13.0161 -59.5659 -27.3763 49.6213 -13.0161 49.6213 51.3106 GPRESSAVG: 844400 -8.30683 -59.8286 -13.5707 -59.2593 -25.8077 48.0832 -13.5573 48.1877 50.7615 TIMING: 844400 CPU: 2452.36, 0.00294982/step Wall: 2452.36, 0.00294982/step, 3.40507 hours remaining, 203.937500 MB of memory in use. ENERGY: 844400 750.0788 2084.2030 1980.8460 125.8290 -206123.8111 17842.6352 0.0000 0.0000 34127.4333 -149212.7858 298.0434 -183340.2191 -149111.5726 298.7724 -131.2815 -98.5671 557158.9384 5.4752 5.5490 PRESSURE: 844600 -84.7684 -14.6516 97.8143 -14.652 363.317 150.21 97.8129 150.211 149.56 GPRESSURE: 844600 -30.941 -39.1367 51.1333 -17.3826 350.609 155.328 122.448 135.582 213.526 PRESSAVG: 844600 -47.5296 -1.39612 13.4216 -1.39618 37.5859 80.9478 13.4217 80.9478 36.5204 GPRESSAVG: 844600 -47.9373 -2.18929 11.9676 -2.29965 38.1808 81.2552 13.6398 82.7501 36.5752 TIMING: 844600 CPU: 2452.94, 0.00289969/step Wall: 2452.94, 0.00289969/step, 3.34704 hours remaining, 203.937500 MB of memory in use. ENERGY: 844600 726.3046 2108.9902 1962.0109 112.7329 -206448.2179 18093.9610 0.0000 0.0000 34010.8658 -149433.3525 297.0254 -183444.2183 -149332.9032 298.6194 142.7028 177.7314 557036.2858 8.8589 8.9396 PRESSURE: 844800 -15.6325 -45.0169 180.656 -45.0164 64.9037 -31.6999 180.657 -31.6999 15.7402 GPRESSURE: 844800 -6.90694 33.3417 215.923 -143.432 126.532 7.20765 170.721 -97.2545 41.3983 PRESSAVG: 844800 -14.1708 -31.2171 18.6955 -31.2171 -45.2071 49.719 18.6955 49.719 47.9268 GPRESSAVG: 844800 -13.3109 -28.7688 17.1287 -31.6376 -45.8086 48.6934 20.8895 47.3155 47.5177 TIMING: 844800 CPU: 2453.52, 0.00286249/step Wall: 2453.52, 0.00286249/step, 3.30395 hours remaining, 203.937500 MB of memory in use. ENERGY: 844800 728.9352 2124.1428 1989.1761 126.7511 -206431.5728 17925.6905 0.0000 0.0000 34016.8939 -149519.9831 297.0780 -183536.8770 -149422.9998 298.0403 21.6705 53.6746 558474.1881 -3.8170 -3.8672 PRESSURE: 845000 -14.8841 -9.00991 73.451 -9.00992 -232.557 15.9029 73.45 15.9039 -18.7856 GPRESSURE: 845000 19.6623 36.4899 120.768 10.1765 -185.717 56.0982 78.4849 -67.1229 -1.76542 PRESSAVG: 845000 -37.6873 10.3587 6.65893 10.3587 77.2927 36.1854 6.6589 36.1852 -22.0985 GPRESSAVG: 845000 -38.6766 7.26006 8.97684 11.0321 77.6593 36.6174 5.39109 36.939 -21.71 TIMING: 845000 CPU: 2454.1, 0.00290234/step Wall: 2454.1, 0.00290234/step, 3.34978 hours remaining, 203.937500 MB of memory in use. ENERGY: 845000 772.3323 2076.6009 1982.7445 126.1934 -206388.4534 17946.2364 0.0000 0.0000 34002.6576 -149481.6882 296.9537 -183484.3459 -149389.2300 298.2049 -88.7422 -55.9401 557874.5925 5.8356 5.7576 PRESSURE: 845200 112.378 -36.2818 134.765 -36.2824 204.075 103.61 134.763 103.609 -151.067 GPRESSURE: 845200 171 -55.4534 144.718 -3.41856 243.11 151.281 45.4395 108.913 -145.042 PRESSAVG: 845200 -80.638 2.59433 -26.5807 2.5943 104.27 20.5079 -26.5807 20.508 -25.6515 GPRESSAVG: 845200 -80.9942 5.9064 -27.0252 1.56338 104.665 19.6585 -28.6286 20.2754 -25.1459 TIMING: 845200 CPU: 2454.67, 0.00288778/step Wall: 2454.67, 0.00288778/step, 3.33282 hours remaining, 203.937500 MB of memory in use. ENERGY: 845200 744.1272 2077.3493 1950.3256 108.1825 -206543.2009 17962.4467 0.0000 0.0000 34289.1982 -149411.5715 299.4561 -183700.7697 -149317.4015 298.5098 55.1287 89.6891 557593.8707 -0.6732 -0.4916 PRESSURE: 845400 257.86 137.351 -21.758 137.35 108.916 97.5589 -21.7589 97.5594 60.1656 GPRESSURE: 845400 269.125 157.579 37.931 60.1501 131.498 93.8056 -79.9913 81.6892 131.119 PRESSAVG: 845400 -39.548 7.18846 -10.4717 7.18847 35.4835 -4.52857 -10.4719 -4.52869 -22.9032 GPRESSAVG: 845400 -38.952 7.05607 -9.08056 8.83328 35.1815 -3.09965 -11.3837 -4.44068 -23.1287 TIMING: 845400 CPU: 2455.25, 0.00289971/step Wall: 2455.25, 0.00289971/step, 3.34643 hours remaining, 203.937500 MB of memory in use. ENERGY: 845400 764.8846 2124.7588 1977.5125 111.8039 -206805.6505 18093.4226 0.0000 0.0000 34378.5841 -149354.6838 300.2367 -183733.2680 -149249.7257 298.6405 142.3138 177.2474 556824.4638 -8.9892 -8.9664 PRESSURE: 845600 -214.094 -3.2611 -78.7537 -3.26118 -90.6975 -139.517 -78.7547 -139.517 -186.671 GPRESSURE: 845600 -143.996 -4.56391 -100.932 41.6395 -93.5067 -123.686 -42.1404 -62.3976 -146.053 PRESSAVG: 845600 -28.036 12.75 12.8345 12.75 71.9015 -72.521 12.8345 -72.521 -15.4595 GPRESSAVG: 845600 -27.9694 8.97042 12.7869 11.6518 71.4461 -71.6603 13.6163 -71.8454 -14.8247 TIMING: 845600 CPU: 2455.83, 0.00288975/step Wall: 2455.83, 0.00288975/step, 3.33478 hours remaining, 204.140625 MB of memory in use. ENERGY: 845600 775.7447 2123.4410 1951.4908 120.2602 -206516.2275 17790.4486 0.0000 0.0000 34344.1868 -149410.6552 299.9363 -183754.8421 -149307.0225 299.2078 -163.8207 -127.8519 555773.5959 9.4687 9.5507 PRESSURE: 845800 -121.389 -32.3807 103.037 -32.3803 -161.156 -38.9749 103.036 -38.9731 -286.693 GPRESSURE: 845800 -85.727 33.3225 -9.49212 -13.3651 -120.768 12.8605 116.568 -92.6422 -263.505 PRESSAVG: 845800 -29.5022 33.9789 -23.4577 33.979 68.8895 -56.4742 -23.4576 -56.4742 -38.3897 GPRESSAVG: 845800 -28.2833 35.6904 -23.3931 31.4949 69.412 -58.5216 -23.4356 -54.8673 -39.7257 TIMING: 845800 CPU: 2456.41, 0.00290782/step Wall: 2456.41, 0.00290782/step, 3.35546 hours remaining, 204.140625 MB of memory in use. ENERGY: 845800 737.5867 2090.4442 1939.7069 115.0542 -205849.0894 17431.4059 0.0000 0.0000 34035.1669 -149499.7246 297.2376 -183534.8915 -149407.7900 299.1949 -189.7462 -156.6667 557308.0556 0.3325 0.4677 PRESSURE: 846000 -176.782 -81.177 -152.695 -81.1756 48.6553 -179.332 -152.694 -179.334 -124.704 GPRESSURE: 846000 -98.6631 -39.1287 -98.4826 -95.9472 69.2412 -120.155 -125 -218.205 -120.822 PRESSAVG: 846000 -3.36824 -57.4552 11.8459 -57.4551 7.45541 -23.0598 11.8459 -23.0598 16.8331 GPRESSAVG: 846000 -3.15764 -57.2216 11.9506 -55.5281 6.64683 -23.5591 12.2908 -22.8144 17.5545 TIMING: 846000 CPU: 2456.99, 0.00289798/step Wall: 2456.99, 0.00289798/step, 3.34394 hours remaining, 204.140625 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: 846000 752.8879 2041.3680 1972.4444 109.2126 -206525.7566 17960.2563 0.0000 0.0000 34188.2129 -149501.3744 298.5742 -183689.5873 -149408.7969 298.3869 -84.2767 -50.0813 557766.2733 6.9734 7.0145 PRESSURE: 846200 -286.43 84.1211 -84.0335 84.1202 -135.455 25.0741 -84.0338 25.075 -437.182 GPRESSURE: 846200 -247.985 74.8725 -30.6037 117.566 -80.3271 -45.8773 -145.412 12.9369 -445.501 PRESSAVG: 846200 -10.7045 19.8773 -84.0821 19.8774 49.4067 -24.051 -84.082 -24.0511 5.77961 GPRESSAVG: 846200 -11.341 17.8248 -82.2761 20.3798 49.6354 -22.2781 -83.7018 -27.4188 5.84153 TIMING: 846200 CPU: 2457.57, 0.00290677/step Wall: 2457.57, 0.00290677/step, 3.35393 hours remaining, 204.140625 MB of memory in use. ENERGY: 846200 764.6833 2078.9327 1973.4874 123.0914 -206025.1696 17598.2128 0.0000 0.0000 34038.4549 -149448.3071 297.2663 -183486.7620 -149347.0458 298.2529 -286.3555 -257.9378 557676.9299 14.8273 14.7119 PRESSURE: 846400 -191.628 204.2 53.6603 204.199 -54.2633 49.2329 53.6627 49.2334 -141.398 GPRESSURE: 846400 -217.13 183.229 41.6691 182.643 -42.1805 103.297 31.2313 -2.4185 -31.6808 PRESSAVG: 846400 -27.5702 -19.7354 -22.745 -19.7355 80.715 -2.90106 -22.7449 -2.901 -55.8881 GPRESSAVG: 846400 -27.2631 -20.1324 -24.9513 -18.2151 79.9919 -4.77727 -23.9532 0.446451 -55.5828 TIMING: 846400 CPU: 2458.15, 0.00290454/step Wall: 2458.15, 0.00290454/step, 3.35119 hours remaining, 204.140625 MB of memory in use. ENERGY: 846400 724.0106 2152.1112 1966.9343 104.2743 -205861.8258 17475.7077 0.0000 0.0000 34281.1037 -149157.6841 299.3854 -183438.7878 -149061.1220 298.4665 -129.0964 -96.9972 558462.3211 -0.9145 -0.9513 PRESSURE: 846600 -346.647 -7.45345 40.2268 -7.45281 -225.818 36.5557 40.2275 36.5555 -99.8415 GPRESSURE: 846600 -321.734 9.27817 41.3087 -114.646 -196.467 11.1804 51.7295 34.954 -62.9584 PRESSAVG: 846600 -34.9011 1.59438 -16.8136 1.59443 33.9119 16.323 -16.8135 16.323 40.9458 GPRESSAVG: 846600 -34.8243 3.33744 -16.2286 -2.02642 34.602 19.331 -17.0873 13.522 39.7347 TIMING: 846600 CPU: 2458.73, 0.00287706/step Wall: 2458.73, 0.00287707/step, 3.31933 hours remaining, 204.140625 MB of memory in use. ENERGY: 846600 776.5167 2084.6995 1989.2450 109.2605 -206177.0347 17685.8655 0.0000 0.0000 34289.3305 -149242.1170 299.4573 -183531.4475 -149140.0399 299.1605 -224.1024 -193.7198 557364.4309 13.3189 13.1708 PRESSURE: 846800 -27.2339 35.4831 -89.7263 35.4831 196.021 42.4653 -89.7255 42.4659 -248.563 GPRESSURE: 846800 8.07361 -7.14367 -94.4424 46.8115 224.983 31.3096 -59.2785 50.7818 -230.013 PRESSAVG: 846800 -53.5557 -22.9457 -68.389 -22.9456 40.1809 -22.6773 -68.389 -22.6772 -12.9346 GPRESSAVG: 846800 -54.5864 -21.9645 -66.9838 -21.4801 39.2102 -23.1901 -68.8287 -22.0735 -11.8866 TIMING: 846800 CPU: 2459.31, 0.00289052/step Wall: 2459.31, 0.00289052/step, 3.3347 hours remaining, 204.140625 MB of memory in use. ENERGY: 846800 711.9515 2074.2561 1957.2135 111.7034 -206203.3817 17769.1504 0.0000 0.0000 34430.1432 -149148.9635 300.6870 -183579.1067 -149058.7675 298.7630 -26.5920 1.0144 558098.4288 -8.7698 -9.0876 PRESSURE: 847000 -23.2986 129.138 -61.0808 129.139 -44.6501 -0.712825 -61.0802 -0.709718 155.849 GPRESSURE: 847000 -24.3272 237.163 -88.7429 74.6532 120.496 15.8162 -28.6117 59.6189 82.2281 PRESSAVG: 847000 -31.3004 25.8198 -11.1719 25.8198 20.7652 -14.679 -11.1719 -14.6789 -15.5222 GPRESSAVG: 847000 -31.371 25.4708 -14.1935 25.9005 20.2118 -13.9706 -8.00475 -14.7266 -15.3947 TIMING: 847000 CPU: 2459.89, 0.00289296/step Wall: 2459.89, 0.00289296/step, 3.33735 hours remaining, 204.140625 MB of memory in use. ENERGY: 847000 730.7287 2131.9640 1963.2190 118.6096 -206555.9573 17982.4922 0.0000 0.0000 34360.7103 -149268.2336 300.0806 -183628.9439 -149172.4620 299.3745 29.3001 59.4656 558246.7855 -8.6858 -8.8513 PRESSURE: 847200 -285.23 -24.6396 -18.1803 -24.639 117.916 98.5559 -18.1808 98.5548 98.3826 GPRESSURE: 847200 -286.353 -33.2579 -14.7166 -46.0391 178.679 135.804 -77.6909 47.9737 123.08 PRESSAVG: 847200 -18.9774 -29.3624 24.1634 -29.3624 -13.989 -4.33179 24.1633 -4.33182 14.2623 GPRESSAVG: 847200 -19.2312 -30.3822 26.4494 -28.248 -13.9431 -3.62698 23.6715 -3.65035 14.4061 TIMING: 847200 CPU: 2460.47, 0.00291272/step Wall: 2460.47, 0.00291272/step, 3.35998 hours remaining, 204.140625 MB of memory in use. ENERGY: 847200 748.6461 2093.4139 1990.7963 123.6068 -206247.4065 17808.3288 0.0000 0.0000 34274.6328 -149207.9818 299.3289 -183482.6146 -149114.0477 299.1342 -22.9772 5.1355 557478.6135 -6.2347 -6.2561 PRESSURE: 847400 -19.9937 -35.7363 78.2645 -35.7366 140.758 -73.0184 78.2637 -73.0193 174.754 GPRESSURE: 847400 19.5663 5.29236 85.2819 -90.1322 188.576 -45.4123 83.5734 -95.0892 171.789 PRESSAVG: 847400 -6.57455 31.0719 -7.41295 31.0719 0.30559 34.0475 -7.41292 34.0476 13.4631 GPRESSAVG: 847400 -6.06678 30.7523 -8.07788 30.7774 -0.306245 31.5647 -8.53894 35.2188 13.1384 TIMING: 847400 CPU: 2461.05, 0.00290082/step Wall: 2461.05, 0.00290082/step, 3.34609 hours remaining, 204.140625 MB of memory in use. ENERGY: 847400 733.6531 2071.2881 1966.5211 106.0336 -206412.0588 17992.5206 0.0000 0.0000 34180.1300 -149361.9124 298.5036 -183542.0424 -149265.4129 298.1603 98.5059 126.6439 556496.3719 2.3981 2.2551 PRESSURE: 847600 35.8882 88.8991 120.714 88.8995 -209.761 -203.27 120.715 -203.27 -26.5356 GPRESSURE: 847600 59.404 66.5111 112.831 172.888 -94.2883 -190.273 155.53 -167.113 -50.9467 PRESSAVG: 847600 -12.5743 22.4303 45.2641 22.4303 -20.5048 -7.27122 45.2641 -7.27118 18.804 GPRESSAVG: 847600 -12.5478 21.2807 44.9593 22.9952 -19.3636 -7.89068 47.1717 -7.9225 18.0113 TIMING: 847600 CPU: 2461.63, 0.00289986/step Wall: 2461.63, 0.00289986/step, 3.34483 hours remaining, 204.140625 MB of memory in use. ENERGY: 847600 744.0089 2097.7184 2001.2737 111.8158 -206511.0357 17730.8322 0.0000 0.0000 34368.3836 -149457.0030 300.1476 -183825.3866 -149367.4157 298.6907 -66.8027 -28.6103 556939.6659 -4.7583 -4.6334 PRESSURE: 847800 -448.221 85.702 -9.10956 85.703 -107.073 92.6531 -9.10978 92.6546 -235.993 GPRESSURE: 847800 -405.511 8.58542 -1.79792 149.046 -76.1692 113.79 -21.5715 102.762 -222.24 PRESSAVG: 847800 -16.7317 2.85068 -4.00702 2.85072 -63.8215 12.5038 -4.00703 12.5038 79.7153 GPRESSAVG: 847800 -17.4058 3.32812 -4.19502 4.96105 -63.9642 13.8026 -4.99123 12.3799 80.7138 TIMING: 847800 CPU: 2462.21, 0.00291154/step Wall: 2462.21, 0.00291154/step, 3.35814 hours remaining, 204.140625 MB of memory in use. ENERGY: 847800 741.5590 2071.0732 1957.0669 104.0907 -205803.3150 17444.7548 0.0000 0.0000 34117.5370 -149367.2334 297.9569 -183484.7704 -149273.0184 298.8561 -263.7623 -234.6402 556815.5938 -0.2793 -0.2187 PRESSURE: 848000 58.1072 21.6482 94.61 21.6495 -246.295 -49.7233 94.6112 -49.7232 -17.8175 GPRESSURE: 848000 84.6955 -9.69809 36.3048 29.9944 -209.27 82.5722 42.7992 -14.5984 11.3506 PRESSAVG: 848000 -39.7139 -51.6914 17.3042 -51.6914 -28.1576 -7.8117 17.3042 -7.81164 59.1789 GPRESSAVG: 848000 -39.1667 -49.6562 16.6615 -54.706 -28.5837 -7.41627 17.5925 -7.73059 59.3574 TIMING: 848000 CPU: 2462.79, 0.00289344/step Wall: 2462.79, 0.00289344/step, 3.3371 hours remaining, 204.140625 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: 848000 737.7159 2136.8967 1960.5822 120.6494 -206231.2438 17788.7676 0.0000 0.0000 34140.1173 -149346.5147 298.1541 -183486.6320 -149245.0099 298.7917 -68.6685 -37.7414 558162.1604 -2.8975 -2.7977 PRESSURE: 848200 142.763 48.2355 100.16 48.2343 -144.012 3.09884 100.159 3.10014 58.56 GPRESSURE: 848200 183.764 88.4257 96.3694 51.6273 -167.133 -36.5114 59.3245 13.0558 131.729 PRESSAVG: 848200 38.1573 -10.7784 2.88742 -10.7783 -36.4923 -45.3258 2.88745 -45.3259 -16.3994 GPRESSAVG: 848200 39.4595 -11.5479 4.80506 -9.85608 -36.2204 -44.0016 1.35879 -46.1861 -18.512 TIMING: 848200 CPU: 2463.37, 0.00289452/step Wall: 2463.37, 0.00289452/step, 3.33818 hours remaining, 204.140625 MB of memory in use. ENERGY: 848200 728.9467 2132.9916 1940.4809 103.8442 -206210.6072 17793.0695 0.0000 0.0000 34211.0548 -149300.2195 298.7737 -183511.2743 -149198.7127 299.2053 19.1035 49.4534 556675.9825 -4.9115 -5.0910 LDB: ============= START OF LOAD BALANCING ============== 2466.83 LDB: ============== END OF LOAD BALANCING =============== 2466.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2466.84 LDB: ============= START OF LOAD BALANCING ============== 2467.13 LDB: Largest compute 4820 load 0.027292 is 23.2% of average load 0.117661 LDB: Average compute 0.001740 is 1.5% of average load 0.117661 LDB: TIME 2467.13 LOAD: AVG 0.117661 MAX 0.176852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.52 MB LDB: TIME 2467.13 LOAD: AVG 0.117661 MAX 0.176852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: TIME 2467.13 LOAD: AVG 0.117661 MAX 0.176852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.52 MB LDB: ============== END OF LOAD BALANCING =============== 2467.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2467.13 PRESSURE: 848400 -68.2379 76.4087 -99.3188 76.4101 -160.601 -100.705 -99.3189 -100.705 -86.8469 GPRESSURE: 848400 -33.1269 40.0163 -66.7094 123.375 -157.588 -27.0819 -149.647 -74.747 -30.7923 PRESSAVG: 848400 61.5646 11.0104 -51.0213 11.0104 -26.5973 -3.93687 -51.0212 -3.93682 -55.7344 GPRESSAVG: 848400 59.0652 11.8269 -52.5227 9.53899 -25.8322 -5.5078 -49.9842 -3.7511 -53.832 TIMING: 848400 CPU: 2463.96, 0.00294707/step Wall: 2463.96, 0.00294707/step, 3.39863 hours remaining, 204.195312 MB of memory in use. ENERGY: 848400 727.8811 2064.9401 1973.9328 101.1702 -206219.4857 17818.7506 0.0000 0.0000 34307.9596 -149224.8514 299.6199 -183532.8110 -149126.0696 299.2875 -105.2286 -73.8356 557087.3456 -6.9224 -6.8663 PRESSURE: 848600 -5.94465 211.109 -83.0257 211.108 149.67 181.486 -83.0249 181.487 209.624 GPRESSURE: 848600 73.0876 169.283 -187.678 188.05 155.118 88.9215 -75.5582 238.271 228.331 PRESSAVG: 848600 -8.23621 -16.6225 -6.97556 -16.6224 16.1721 22.4321 -6.97556 22.4321 14.6815 GPRESSAVG: 848600 -6.7104 -17.4268 -8.55984 -14.217 16.0008 22.3604 -6.33956 22.0253 14.0013 TIMING: 848600 CPU: 2464.54, 0.00289273/step Wall: 2464.54, 0.00289273/step, 3.3358 hours remaining, 204.546875 MB of memory in use. ENERGY: 848600 744.2488 2110.2789 1985.3146 107.3129 -206559.4215 17995.0881 0.0000 0.0000 34532.3477 -149084.8304 301.5796 -183617.1781 -148984.2581 299.8045 117.7830 152.1791 556506.7587 7.5391 7.7639 PRESSURE: 848800 -6.72263 -259.793 137.405 -259.792 -313.145 -140.136 137.405 -140.137 -79.1075 GPRESSURE: 848800 -18.4424 -248.728 73.8885 -232.479 -249.123 -111.793 173.099 -100.376 -23.861 PRESSAVG: 848800 -52.2614 -28.7498 49.9983 -28.7498 18.215 5.18922 49.9983 5.18919 24.1212 GPRESSAVG: 848800 -53.6619 -27.606 51.2182 -31.8469 18.564 6.51983 48.5321 4.02771 24.8509 TIMING: 848800 CPU: 2465.12, 0.00292025/step Wall: 2465.12, 0.00292025/step, 3.36737 hours remaining, 204.546875 MB of memory in use. ENERGY: 848800 755.2279 2112.0683 1965.3376 108.4436 -206054.1112 17738.2613 0.0000 0.0000 34371.5577 -149003.2148 300.1754 -183374.7724 -148900.9876 299.9722 -132.9917 -97.1423 557566.3892 -3.3084 -3.4157 PRESSURE: 849000 -94.7371 -9.02397 -56.3616 -9.02235 -134.857 -187.476 -56.3608 -187.477 -142.519 GPRESSURE: 849000 -74.9647 -15.122 -126.474 39.2149 -165.087 -108.861 -104.617 -245.023 -50.077 PRESSAVG: 849000 -15.7759 -17.2817 41.9551 -17.2817 31.5544 5.18379 41.9552 5.18377 -5.10426 GPRESSAVG: 849000 -15.7774 -17.8535 44.0765 -16.4093 31.4491 2.82584 41.1084 6.7629 -4.84406 TIMING: 849000 CPU: 2465.7, 0.00291172/step Wall: 2465.7, 0.00291172/step, 3.35738 hours remaining, 204.546875 MB of memory in use. ENERGY: 849000 759.2736 2097.7273 1978.4441 112.0471 -206173.1196 17723.9244 0.0000 0.0000 34292.6830 -149209.0200 299.4865 -183501.7031 -149109.0136 299.7069 -124.0377 -96.7096 557579.6165 3.5581 3.6092 PRESSURE: 849200 151.8 -154.577 -92.4232 -154.577 316.843 -67.9044 -92.4212 -67.904 186.656 GPRESSURE: 849200 185.716 -177.797 -87.6611 -145.094 335.606 -174.775 -42.6511 2.56159 235.697 PRESSAVG: 849200 -23.6577 20.9805 -24.2376 20.9805 48.8152 17.0767 -24.2376 17.0768 -13.4914 GPRESSAVG: 849200 -22.1456 22.2132 -25.6317 19.6906 48.5105 17.8951 -22.304 17.2493 -14.5105 TIMING: 849200 CPU: 2466.28, 0.00288044/step Wall: 2466.28, 0.00288044/step, 3.32114 hours remaining, 204.546875 MB of memory in use. ENERGY: 849200 755.8470 2126.0707 1977.3774 94.5265 -206634.4414 18085.5721 0.0000 0.0000 34553.6880 -149041.3596 301.7660 -183595.0477 -148954.0073 299.8628 218.4327 252.3396 556019.6501 3.8887 3.9515 PRESSURE: 849400 231.51 -157.234 -9.66868 -157.234 -53.2604 49.1271 -9.66939 49.1271 -139.143 GPRESSURE: 849400 242.81 -113.307 -65.2577 -136.538 6.33601 57.8621 -25.2365 68.779 -114.513 PRESSAVG: 849400 -1.03393 -16.8803 -12.1335 -16.8803 0.920122 26.6173 -12.1335 26.6173 -59.8182 GPRESSAVG: 849400 -1.23487 -17.758 -14.6745 -17.4233 1.71818 26.298 -9.70464 27.4337 -59.5739 TIMING: 849400 CPU: 2466.86, 0.00288385/step Wall: 2466.86, 0.00288385/step, 3.32492 hours remaining, 204.546875 MB of memory in use. ENERGY: 849400 734.9629 2115.7404 1935.6674 107.0760 -206226.2384 17719.8630 0.0000 0.0000 34345.6732 -149267.2555 299.9493 -183612.9288 -149168.1201 299.7938 13.0355 44.8775 556848.9009 -19.9773 -19.6969 PRESSURE: 849600 36.3466 -88.967 -14.5426 -88.9674 -63.7806 -33.6752 -14.5429 -33.6751 84.6537 GPRESSURE: 849600 49.533 -19.3504 47.7695 -82.6981 14.5514 -24.5013 -13.0115 -82.9823 90.4778 PRESSAVG: 849600 62.7323 -49.888 12.3238 -49.8881 -7.20937 5.07506 12.3238 5.07517 -63.4852 GPRESSAVG: 849600 61.3921 -52.8491 14.9515 -49.3102 -6.16407 5.01819 10.6094 4.69774 -63.7085 TIMING: 849600 CPU: 2467.44, 0.00290841/step Wall: 2467.44, 0.00290841/step, 3.35308 hours remaining, 204.546875 MB of memory in use. ENERGY: 849600 743.9099 2090.8699 1972.7326 110.1634 -206171.8610 17929.2842 0.0000 0.0000 34084.7615 -149240.1394 297.6707 -183324.9010 -149145.5271 299.3438 19.0733 51.5207 557949.3821 -2.6541 -2.8268 PRESSURE: 849800 171.052 -131.289 -63.7465 -131.29 119.767 60.6204 -63.747 60.6192 -79.3718 GPRESSURE: 849800 191.051 -69.539 -62.766 -93.9803 149.848 76.2413 -28.4969 -1.71492 -21.4404 PRESSAVG: 849800 23.2512 -6.40354 -26.3934 -6.40356 -14.5398 8.59038 -26.3935 8.59034 -11.3502 GPRESSAVG: 849800 24.1328 -4.76388 -25.9126 -6.45104 -16.8925 11.603 -28.8722 6.89773 -10.8516 TIMING: 849800 CPU: 2468.02, 0.00291021/step Wall: 2468.02, 0.00291021/step, 3.35498 hours remaining, 204.546875 MB of memory in use. ENERGY: 849800 721.0658 2118.5232 1961.8503 120.6192 -206132.2526 17735.6376 0.0000 0.0000 34176.3749 -149298.1816 298.4708 -183474.5565 -149198.8385 299.0117 70.4825 106.4864 557322.9393 -0.8796 -1.2037 PRESSURE: 850000 196.18 -11.7211 -6.59569 -11.7199 -237.007 242.04 -6.59571 242.04 -225.136 GPRESSURE: 850000 157.157 0.48464 -81.9506 -62.0014 -190.107 196.795 -48.7137 161.085 -125.185 PRESSAVG: 850000 -31.5494 -10.3254 -27.3045 -10.3254 17.1864 -9.56961 -27.3045 -9.56965 36.5563 GPRESSAVG: 850000 -31.6415 -11.8059 -27.8756 -8.34251 17.0997 -10.3549 -25.9114 -10.311 36.3139 TIMING: 850000 CPU: 2468.6, 0.00290603/step Wall: 2468.6, 0.00290603/step, 3.35001 hours remaining, 204.546875 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: 850000 748.1368 2128.6573 1986.3326 111.7063 -206100.7017 17721.5151 0.0000 0.0000 34199.9405 -149204.4131 298.6766 -183404.3536 -149114.3230 299.4983 -88.6541 -52.7119 557793.7368 7.3978 7.2574 PRESSURE: 850200 -340.775 -71.4432 -157.184 -71.4429 -36.5535 -56.057 -157.185 -56.0565 121.158 GPRESSURE: 850200 -306.849 -101.963 -163.472 -73.0742 -75.9266 -82.0778 -152.777 -65.4103 235.401 PRESSAVG: 850200 -32.1623 6.98469 -90.9187 6.98472 35.4538 -10.4447 -90.9188 -10.4447 -42.3715 GPRESSAVG: 850200 -31.8868 6.08145 -92.6306 7.86378 36.8467 -10.4213 -91.5688 -9.37184 -43.3587 TIMING: 850200 CPU: 2469.18, 0.00289747/step Wall: 2469.18, 0.00289747/step, 3.33998 hours remaining, 204.546875 MB of memory in use. ENERGY: 850200 724.2108 2131.1244 1980.5935 122.7062 -206231.9513 17781.4353 0.0000 0.0000 34191.3853 -149300.4959 298.6019 -183491.8811 -149201.7273 298.7030 -85.3903 -49.1250 558518.8258 -13.0266 -12.7996 PRESSURE: 850400 192.911 -41.3925 98.2823 -41.3923 187.267 -40.1609 98.2825 -40.1616 85.8253 GPRESSURE: 850400 186.649 -100.53 54.465 21.117 227.28 -61.1535 142.895 -8.9844 131.975 PRESSAVG: 850400 -65.8926 -16.2166 -7.42585 -16.2166 90.2704 -56.9905 -7.42592 -56.9905 40.5621 GPRESSAVG: 850400 -66.8992 -13.6093 -4.40691 -17.5746 90.8934 -55.9052 -7.33693 -58.0076 40.5712 TIMING: 850400 CPU: 2469.76, 0.00289443/step Wall: 2469.76, 0.00289443/step, 3.33631 hours remaining, 204.546875 MB of memory in use. ENERGY: 850400 730.4081 2124.7128 1962.8223 102.4342 -206588.4388 18036.6610 0.0000 0.0000 34306.4135 -149324.9870 299.6064 -183631.4005 -149224.7009 298.3787 155.3344 181.9679 558618.5170 21.6467 21.5218 PRESSURE: 850600 -143.472 -101.127 51.0108 -101.126 64.7393 -334.81 51.0123 -334.808 -474.096 GPRESSURE: 850600 -182.804 -66.0776 50.5309 -70.7337 118.032 -317.844 14.5994 -309.357 -391.919 PRESSAVG: 850600 -9.70618 -33.1482 -21.0839 -33.1483 78.6269 -70.1224 -21.0839 -70.1224 -28.3596 GPRESSAVG: 850600 -8.65491 -33.5695 -21.5743 -32.4463 77.3891 -71.8928 -21.4484 -68.8972 -28.192 TIMING: 850600 CPU: 2470.33, 0.00287422/step Wall: 2470.33, 0.00287422/step, 3.31285 hours remaining, 204.546875 MB of memory in use. ENERGY: 850600 760.7867 2142.5136 1989.5777 117.8695 -206141.8018 17674.3906 0.0000 0.0000 34386.6086 -149070.0551 300.3068 -183456.6637 -148976.9838 298.9518 -184.2761 -152.2302 558821.8994 13.5204 13.5140 PRESSURE: 850800 125.248 89.5194 -10.997 89.5185 -184.458 -152.62 -10.9973 -152.62 -108.411 GPRESSURE: 850800 106.642 100.399 42.6455 36.3322 -135.854 -177.244 -61.9389 -190.28 -34.1186 PRESSAVG: 850800 -17.9852 -51.1248 -44.1483 -51.1249 18.6928 -68.1498 -44.1483 -68.1496 -15.1053 GPRESSAVG: 850800 -19.5685 -51.4688 -43.2018 -51.7962 19.1747 -68.4732 -42.9298 -66.5453 -14.7067 TIMING: 850800 CPU: 2470.91, 0.002887/step Wall: 2470.91, 0.002887/step, 3.32743 hours remaining, 204.546875 MB of memory in use. ENERGY: 850800 750.8086 2053.2411 1966.4885 113.4969 -205954.9414 17559.4431 0.0000 0.0000 34348.6035 -149162.8597 299.9749 -183511.4632 -149064.7956 299.3700 -55.8737 -21.1104 556704.6929 -4.7992 -5.0335 PRESSURE: 851000 -236.069 89.929 -46.6604 89.9289 -195.27 106.118 -46.6603 106.119 269.217 GPRESSURE: 851000 -118.585 112.014 4.84353 4.23307 -193.043 116.033 -115.746 91.3191 236.178 PRESSAVG: 851000 38.1668 -23.7645 8.00351 -23.7645 33.1264 -19.2802 8.00358 -19.2802 -13.2766 GPRESSAVG: 851000 39.4033 -22.9574 8.48939 -24.133 32.6651 -18.7356 6.56325 -20.7151 -13.7251 TIMING: 851000 CPU: 2471.49, 0.00288562/step Wall: 2471.49, 0.00288562/step, 3.32568 hours remaining, 204.546875 MB of memory in use. ENERGY: 851000 762.1834 2083.4132 1994.3589 131.4212 -206251.7329 17946.2434 0.0000 0.0000 34286.0224 -149048.0904 299.4284 -183334.1128 -148957.1700 299.1549 -54.0406 -25.1501 559426.9458 19.3389 19.4478 PRESSURE: 851200 -37.5372 -244.282 -158.177 -244.282 -150.806 26.2771 -158.177 26.2773 -88.485 GPRESSURE: 851200 -44.4877 -276.134 -97.5795 -194.359 -62.199 -17.3282 -105.468 -27.1863 -75.3672 PRESSAVG: 851200 -16.3431 -43.4682 8.84309 -43.4682 9.07449 19.6569 8.84311 19.657 -27.378 GPRESSAVG: 851200 -17.2422 -45.3505 6.76541 -41.4657 10.2949 19.0166 10.8027 19.7319 -26.9385 TIMING: 851200 CPU: 2472.06, 0.00287881/step Wall: 2472.06, 0.00287881/step, 3.31767 hours remaining, 204.546875 MB of memory in use. ENERGY: 851200 749.8174 2081.7619 1935.0795 112.2978 -206152.2839 17844.0969 0.0000 0.0000 34414.7180 -149014.5122 300.5523 -183429.2303 -148911.2136 299.3335 -92.2762 -60.6846 558065.3018 -11.5489 -11.2953 PRESSURE: 851400 142.474 -206.976 -73.8852 -206.977 42.2589 -243.632 -73.883 -243.631 -86.118 GPRESSURE: 851400 183.111 -156.102 -41.2746 -105.22 39.9603 -233.984 -125.025 -221.477 -24.9362 PRESSAVG: 851400 9.29553 -15.714 7.46628 -15.7139 -22.9946 11.5466 7.46627 11.5467 43.3358 GPRESSAVG: 851400 9.45268 -14.9945 10.0053 -15.9693 -24.3879 13.1197 5.66063 11.3999 44.0603 TIMING: 851400 CPU: 2472.64, 0.00288553/step Wall: 2472.64, 0.00288553/step, 3.32525 hours remaining, 204.546875 MB of memory in use. ENERGY: 851400 722.4215 2022.4054 1961.0034 119.8727 -206360.9526 17949.5228 0.0000 0.0000 34549.3524 -149036.3745 301.7281 -183585.7269 -148942.3929 299.7353 32.8715 66.0450 557777.9896 9.8789 9.7084 PRESSURE: 851600 52.0237 -172.303 -35.7963 -172.304 -166.732 36.4413 -35.7967 36.4416 135.477 GPRESSURE: 851600 57.7167 -262.086 -1.87303 -134.235 -117.946 53.5422 -83.0368 66.9931 168.031 PRESSAVG: 851600 17.0566 -41.4206 21.4934 -41.4207 -34.8114 -10.015 21.4934 -10.015 32.9658 GPRESSAVG: 851600 16.6155 -39.9487 19.637 -41.579 -33.7943 -9.76694 23.084 -10.7708 32.2104 TIMING: 851600 CPU: 2473.22, 0.00287432/step Wall: 2473.22, 0.00287432/step, 3.31218 hours remaining, 204.546875 MB of memory in use. ENERGY: 851600 708.5860 2138.7142 1963.3769 118.7410 -206038.7025 17814.3052 0.0000 0.0000 34416.4422 -148878.5370 300.5674 -183294.9792 -148785.1530 300.6324 6.9230 35.9341 558176.3988 5.0703 5.0105 PRESSURE: 851800 -24.338 -60.5006 46.4498 -60.5014 -75.3396 8.96307 46.4493 8.96143 -231.68 GPRESSURE: 851800 -48.7752 -63.1948 -37.0615 -45.3334 -41.5938 -2.58874 108.988 40.2023 -131.69 PRESSAVG: 851800 -31.7729 -55.711 -22.23 -55.7111 23.4362 30.9496 -22.2301 30.9497 4.87181 GPRESSAVG: 851800 -31.4675 -58.2075 -21.8322 -54.6663 22.8987 29.0119 -22.008 31.9382 4.82914 TIMING: 851800 CPU: 2473.79, 0.00288275/step Wall: 2473.79, 0.00288275/step, 3.32172 hours remaining, 204.546875 MB of memory in use. ENERGY: 851800 752.4670 2038.4350 1939.8068 100.2134 -205740.2834 17787.5224 0.0000 0.0000 34035.3140 -149086.5248 297.2389 -183121.8388 -148995.1321 299.5391 -110.4526 -74.0197 559171.2491 -1.1550 -1.2465 PRESSURE: 852000 128.445 -102.484 94.9671 -102.485 70.4055 -134.568 94.9663 -134.567 -27.9404 GPRESSURE: 852000 112.488 -100.089 102.679 -82.0454 111.083 -131.338 38.4705 -168.322 28.7867 PRESSAVG: 852000 21.2625 -8.21341 -24.9711 -8.21338 14.8914 -63.8808 -24.971 -63.8808 -34.4411 GPRESSAVG: 852000 20.7215 -7.2996 -23.9384 -8.75512 15.303 -62.8295 -27.045 -65.3601 -34.3583 TIMING: 852000 CPU: 2474.37, 0.00288054/step Wall: 2474.37, 0.00288054/step, 3.31902 hours remaining, 204.546875 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: 852000 706.2096 2031.7908 1946.5297 117.1344 -206017.3449 17875.8197 0.0000 0.0000 34269.9181 -149069.9426 299.2877 -183339.8607 -148965.2555 298.8068 56.9702 84.1194 558439.0241 0.5709 0.5554 PRESSURE: 852200 -401.851 -67.1565 -28.6973 -67.156 -242.564 -5.7355 -28.6982 -5.73669 -133.774 GPRESSURE: 852200 -327.23 26.0404 -113.674 -102.797 -254.214 23.0208 -49.8506 14.6524 -115.294 PRESSAVG: 852200 53.2827 -109.357 16.9038 -109.357 -38.1642 -45.7956 16.9039 -45.7956 -44.361 GPRESSAVG: 852200 53.1402 -106.562 14.3978 -111.785 -38.359 -47.9172 20.8993 -42.5838 -44.065 TIMING: 852200 CPU: 2474.95, 0.00289649/step Wall: 2474.95, 0.00289649/step, 3.33724 hours remaining, 204.546875 MB of memory in use. ENERGY: 852200 745.5272 2157.1859 1918.4359 108.8863 -205569.4900 17288.4146 0.0000 0.0000 34242.3798 -149108.6602 299.0472 -183351.0400 -149014.7914 298.8664 -259.3967 -232.2457 558166.6191 -9.7475 -9.7613 LDB: ============= START OF LOAD BALANCING ============== 2478.41 LDB: ============== END OF LOAD BALANCING =============== 2478.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2478.41 LDB: ============= START OF LOAD BALANCING ============== 2478.7 LDB: Largest compute 4820 load 0.025756 is 21.9% of average load 0.117540 LDB: Average compute 0.001733 is 1.5% of average load 0.117540 LDB: TIME 2478.7 LOAD: AVG 0.11754 MAX 0.178777 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.891 MB LDB: TIME 2478.71 LOAD: AVG 0.11754 MAX 0.178777 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.891 MB LDB: TIME 2478.71 LOAD: AVG 0.11754 MAX 0.178777 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2478.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2478.71 PRESSURE: 852400 126.141 -108.213 -78.2206 -108.213 265.907 -88.1405 -78.2209 -88.1395 13.2928 GPRESSURE: 852400 135.609 -85.1851 -45.9397 -60.973 320.81 -67.0397 -79.5776 -134.547 43.6774 PRESSAVG: 852400 46.3477 -33.2091 35.8502 -33.209 -36.9394 -38.043 35.8501 -38.0429 -12.0834 GPRESSAVG: 852400 46.4032 -34.3333 36.5423 -31.7962 -36.5951 -35.094 34.2566 -40.4944 -12.5653 TIMING: 852400 CPU: 2475.54, 0.00293511/step Wall: 2475.54, 0.00293511/step, 3.38158 hours remaining, 204.128906 MB of memory in use. ENERGY: 852400 719.1731 2118.1950 1965.9343 103.6401 -206529.6156 18046.1835 0.0000 0.0000 34468.1328 -149108.3568 301.0188 -183576.4896 -149011.3528 299.6082 135.1136 166.6988 556582.3370 -0.8917 -0.9191 PRESSURE: 852600 247.228 -26.4786 121.213 -26.4778 86.2443 -3.47472 121.212 -3.47553 30.4861 GPRESSURE: 852600 277.002 -48.6123 135.027 78.1253 106.032 -15.7932 129.475 -22.9159 86.2833 PRESSAVG: 852600 42.529 3.86757 -39.5634 3.86768 18.6503 -19.2496 -39.5634 -19.2497 -76.5585 GPRESSAVG: 852600 42.2698 2.11333 -39.3599 3.46424 18.0049 -20.5009 -38.004 -18.6891 -75.4511 TIMING: 852600 CPU: 2476.11, 0.00289224/step Wall: 2476.11, 0.00289224/step, 3.33202 hours remaining, 204.265625 MB of memory in use. ENERGY: 852600 774.0377 2038.9612 1964.3174 108.3238 -206057.8907 17940.7946 0.0000 0.0000 34150.1148 -149081.3411 298.2414 -183231.4559 -148983.1770 299.6493 121.3196 156.4388 557365.1263 -5.1264 -5.0588 PRESSURE: 852800 -106.742 -60.5187 11.0815 -60.5193 115.669 13.9341 11.0814 13.9353 -142.561 GPRESSURE: 852800 -84.0572 -61.2971 -79.9228 23.4705 143.251 16.7533 -44.8315 32.1321 -91.6664 PRESSAVG: 852800 10.0416 -32.7977 -7.68301 -32.7976 29.1114 9.82596 -7.68295 9.82597 -5.19139 GPRESSAVG: 852800 11.2919 -33.5362 -8.61324 -30.6112 29.1485 10.6282 -8.76421 9.93839 -6.18481 TIMING: 852800 CPU: 2476.7, 0.002906/step Wall: 2476.7, 0.002906/step, 3.34771 hours remaining, 204.265625 MB of memory in use. ENERGY: 852800 710.5778 2083.7450 1968.0217 110.9008 -205914.3347 17681.9087 0.0000 0.0000 34355.0733 -149004.1073 300.0314 -183359.1806 -148911.1939 299.3183 -44.5448 -10.8241 558404.7618 11.3205 11.4185 PRESSURE: 853000 223.84 109.421 -64.2406 109.421 271.495 34.6819 -64.2417 34.6805 214.914 GPRESSURE: 853000 264.86 88.9994 -81.3456 3.52646 256.895 7.76013 -82.1188 47.582 281.627 PRESSAVG: 853000 21.5746 -12.8233 5.53185 -12.8233 67.1547 -40.2596 5.5318 -40.2595 -70.1254 GPRESSAVG: 853000 20.6268 -11.701 7.53457 -14.3951 68.5768 -40.1426 3.78445 -39.1389 -70.7984 TIMING: 853000 CPU: 2477.28, 0.00291815/step Wall: 2477.28, 0.00291815/step, 3.36155 hours remaining, 204.265625 MB of memory in use. ENERGY: 853000 734.5712 2115.2128 1961.9209 106.4956 -206269.3989 18108.2381 0.0000 0.0000 34366.5384 -148876.4219 300.1315 -183242.9603 -148780.5808 299.9377 236.7494 267.7940 557795.6926 6.2013 6.1351 PRESSURE: 853200 -205.317 121.951 14.3367 121.952 84.3689 0.817369 14.3368 0.819123 -257.617 GPRESSURE: 853200 -153.496 125.676 5.28273 151.055 87.3015 -9.91759 12.9527 26.8991 -206.2 PRESSAVG: 853200 16.5444 41.1986 36.1975 41.1985 10.5041 -83.9707 36.1976 -83.9708 -53.7589 GPRESSAVG: 853200 17.0435 42.1997 35.9825 41.6353 9.84877 -82.9568 37.316 -86.9377 -53.063 TIMING: 853200 CPU: 2477.86, 0.00292081/step Wall: 2477.86, 0.00292081/step, 3.36444 hours remaining, 204.265625 MB of memory in use. ENERGY: 853200 761.4638 2099.5958 1963.9483 116.3045 -205931.1606 17720.2612 0.0000 0.0000 34401.1225 -148868.4644 300.4336 -183269.5869 -148775.6470 299.3460 -126.1883 -90.7979 559608.7851 -8.9035 -8.7236 PRESSURE: 853400 -104.994 -35.4389 10.8369 -35.4394 -133.713 -60.3069 10.8358 -60.3079 -197.414 GPRESSURE: 853400 -68.9664 -53.1506 113.078 -64.1005 -127.949 -42.8647 -41.6745 -117.608 -142.172 PRESSAVG: 853400 -24.3861 23.5791 33.1033 23.5792 -44.8469 11.1567 33.1033 11.1567 3.41031 GPRESSAVG: 853400 -24.1978 23.8547 33.1271 21.8423 -45.9679 9.42185 32.8509 12.8128 4.76096 TIMING: 853400 CPU: 2478.45, 0.00292577/step Wall: 2478.45, 0.00292577/step, 3.37 hours remaining, 204.265625 MB of memory in use. ENERGY: 853400 743.9952 2114.2499 1942.5471 112.0393 -205674.0352 17552.6239 0.0000 0.0000 34371.8663 -148836.7134 300.1781 -183208.5797 -148742.2486 299.3726 -145.3737 -113.0293 557903.1124 -21.9409 -21.8016 PRESSURE: 853600 -134.223 -155.812 199.014 -155.813 -6.09035 -27.6063 199.015 -27.6073 -203.741 GPRESSURE: 853600 -143.054 -246.797 151.94 -117.556 4.07592 -70.1111 156.175 16.6236 -128.531 PRESSAVG: 853600 -34.527 10.2495 16.1277 10.2495 72.9649 -44.5124 16.1277 -44.5125 -43.628 GPRESSAVG: 853600 -35.5722 8.93835 15.2552 12.4944 75.0024 -46.7491 16.221 -43.8428 -44.8851 TIMING: 853600 CPU: 2479.03, 0.00288968/step Wall: 2479.03, 0.00288968/step, 3.32827 hours remaining, 204.265625 MB of memory in use. ENERGY: 853600 727.9206 2123.5740 1925.7544 111.4441 -205635.2362 17496.8228 0.0000 0.0000 34447.3450 -148802.3753 300.8372 -183249.7204 -148703.2324 300.6316 -114.6847 -89.1698 557843.2542 -1.7300 -1.8183 PRESSURE: 853800 -357.978 37.8201 8.62173 37.8208 -96.0441 -82.4879 8.62034 -82.4872 216.388 GPRESSURE: 853800 -264.046 40.1821 42.7349 20.2841 -133.251 -39.4625 14.7184 -131.049 256.089 PRESSAVG: 853800 -25.7494 -19.5361 40.7143 -19.5361 3.16612 -26.8794 40.7142 -26.8795 33.4785 GPRESSAVG: 853800 -24.6876 -17.2236 41.2512 -21.1076 2.88785 -23.3201 41.4559 -29.9356 32.2062 TIMING: 853800 CPU: 2479.61, 0.00292821/step Wall: 2479.61, 0.00292821/step, 3.37248 hours remaining, 204.265625 MB of memory in use. ENERGY: 853800 750.7334 2108.8542 1962.4344 118.2888 -205596.2903 17612.8050 0.0000 0.0000 34470.4168 -148572.7577 301.0387 -183043.1745 -148466.8610 300.4805 -79.2117 -47.0694 558441.4167 3.6317 3.4688 PRESSURE: 854000 -165.288 -94.5705 58.7258 -94.5691 198.267 25.8907 58.7251 25.8907 -100.263 GPRESSURE: 854000 -142.484 -134.566 -41.7898 -137.485 213.144 -25.6391 109.751 -11.3976 -39.9144 PRESSAVG: 854000 -34.4368 16.5113 -17.5664 16.5113 94.5428 -9.63006 -17.5663 -9.6301 -41.2967 GPRESSAVG: 854000 -34.7707 13.9125 -17.3963 16.5602 94.3508 -10.1053 -16.1183 -9.2419 -40.6374 TIMING: 854000 CPU: 2480.2, 0.00292319/step Wall: 2480.2, 0.00292319/step, 3.36654 hours remaining, 204.265625 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: 854000 766.0955 2061.2856 1956.8934 116.7797 -206001.8506 17816.5101 0.0000 0.0000 34608.3096 -148675.9768 302.2430 -183284.2863 -148578.0849 300.4030 -22.4278 10.2486 558596.5469 6.2698 6.3142 PRESSURE: 854200 -142.647 -96.2334 11.5463 -96.2315 21.2373 -103.115 11.5471 -103.114 28.2069 GPRESSURE: 854200 -61.1017 -73.7704 -140.235 -144.329 41.3417 -110.884 100.621 -66.2383 19.6055 PRESSAVG: 854200 -2.31295 -29.3879 6.93407 -29.3879 -13.3073 4.50444 6.93403 4.50438 27.4613 GPRESSAVG: 854200 -2.88041 -27.2232 4.32016 -29.39 -13.1523 4.17005 6.9278 6.50484 27.8417 TIMING: 854200 CPU: 2480.78, 0.00292349/step Wall: 2480.78, 0.00292349/step, 3.36673 hours remaining, 204.324219 MB of memory in use. ENERGY: 854200 750.7738 2070.0892 1980.1709 116.5888 -205854.3435 17713.0657 0.0000 0.0000 34435.6676 -148787.9876 300.7352 -183223.6552 -148693.1965 300.3479 -31.0676 -0.0515 557933.2301 3.9470 3.9363 PRESSURE: 854400 56.9409 162.352 -107.741 162.352 22.3495 88.9496 -107.742 88.9507 -193.095 GPRESSURE: 854400 125.875 210.13 -26.1954 112.979 -7.69913 145.044 -145.473 90.9981 -132.401 PRESSAVG: 854400 -14.4328 7.17429 -28.0816 7.1743 23.0204 -3.97019 -28.0816 -3.97015 27.8828 GPRESSAVG: 854400 -13.6464 5.97579 -26.9838 7.52755 21.2003 -4.66727 -29.3591 -2.52566 29.3206 TIMING: 854400 CPU: 2481.37, 0.00291851/step Wall: 2481.37, 0.00291851/step, 3.36082 hours remaining, 204.324219 MB of memory in use. ENERGY: 854400 770.2744 2125.7090 1950.9230 119.6658 -205722.3937 17721.8148 0.0000 0.0000 34321.6319 -148712.3747 299.7393 -183034.0067 -148614.5007 300.7288 -37.9347 -4.7418 557827.6586 12.1568 12.2915 PRESSURE: 854600 34.5319 -76.3198 -16.9805 -76.319 152.455 7.537 -16.9808 7.53953 196.421 GPRESSURE: 854600 57.4305 -69.1045 -122.204 2.32408 218.927 -11.1653 111.833 -38.5183 205.073 PRESSAVG: 854600 17.444 -25.2084 -27.5889 -25.2084 -8.42682 32.8452 -27.589 32.8452 23.5131 GPRESSAVG: 854600 16.8973 -25.1265 -27.3513 -25.0226 -7.10541 34.5494 -26.9172 29.5995 22.2734 TIMING: 854600 CPU: 2481.95, 0.00293063/step Wall: 2481.95, 0.00293063/step, 3.37461 hours remaining, 204.324219 MB of memory in use. ENERGY: 854600 709.8144 2088.5371 1986.7175 117.4303 -205868.7211 17764.8047 0.0000 0.0000 34409.2276 -148792.1895 300.5043 -183201.4171 -148699.9656 301.0516 127.8025 160.4769 557989.9488 10.8434 10.6884 PRESSURE: 854800 -19.715 95.2728 -30.3453 95.2731 101.568 76.3922 -30.3452 76.3913 -28.0668 GPRESSURE: 854800 16.4308 169.875 -49.6529 69.2238 123.28 67.5076 -20.6056 70.886 15.5332 PRESSAVG: 854800 29.3344 -23.6386 -39.254 -23.6386 -12.0159 -6.11411 -39.254 -6.11427 -4.60371 GPRESSAVG: 854800 28.2734 -23.2796 -41.5606 -24.5576 -11.9464 -8.82837 -38.6338 -5.25449 -3.56166 TIMING: 854800 CPU: 2482.54, 0.00292913/step Wall: 2482.54, 0.00292913/step, 3.37273 hours remaining, 204.324219 MB of memory in use. ENERGY: 854800 758.8626 2091.6670 1982.0951 113.7173 -206008.5317 17811.1367 0.0000 0.0000 34545.5096 -148705.5433 301.6945 -183251.0529 -148606.2128 301.1073 17.9286 51.7480 557324.1119 4.2382 4.2551 PRESSURE: 855000 13.6946 24.818 -209.396 24.818 159.941 -74.2644 -209.395 -74.2634 127.901 GPRESSURE: 855000 52.8395 -2.55976 -178.612 1.85571 253.166 -32.8072 -99.4813 -146.748 99.3029 PRESSAVG: 855000 16.4519 17.6077 28.1807 17.6078 15.8412 33.2288 28.1807 33.2288 -41.9777 GPRESSAVG: 855000 16.8337 16.7304 31.8719 19.6523 16.0144 33.1717 27.8001 34.7105 -42.5819 TIMING: 855000 CPU: 2483.12, 0.00290893/step Wall: 2483.12, 0.00290893/step, 3.34931 hours remaining, 204.324219 MB of memory in use. ENERGY: 855000 715.9519 2135.5046 1984.2707 101.5382 -205548.5983 17748.8608 0.0000 0.0000 34031.0144 -148831.4576 297.2013 -182862.4721 -148739.0184 300.2617 100.5122 135.1028 557185.6252 -3.2282 -3.2446 PRESSURE: 855200 -172.166 -128.176 -32.5995 -128.176 121.495 142.179 -32.5993 142.179 142.039 GPRESSURE: 855200 -86.1114 -133.523 -34.3076 -68.0724 136.012 187.779 -33.2755 188.492 132.366 PRESSAVG: 855200 -7.41894 12.1984 -1.95559 12.1984 4.50211 -20.8406 -1.95553 -20.8404 -29.0036 GPRESSAVG: 855200 -5.26566 13.3486 -3.09247 9.87487 2.70515 -16.4095 -2.51368 -21.3999 -29.5299 TIMING: 855200 CPU: 2483.7, 0.00289746/step Wall: 2483.7, 0.00289746/step, 3.33594 hours remaining, 204.324219 MB of memory in use. ENERGY: 855200 747.9012 2085.8386 2005.6676 137.9188 -205899.4122 17795.9186 0.0000 0.0000 34488.1413 -148638.0262 301.1935 -183126.1674 -148544.4666 300.3772 30.4561 60.7554 556744.1751 -10.6401 -10.6968 PRESSURE: 855400 -334.864 -175.917 -61.8295 -175.917 -95.7679 -110.795 -61.8293 -110.795 -185.17 GPRESSURE: 855400 -321.861 -250.23 16.2287 -99.3326 -30.6961 -126.894 -104.103 -89.638 -160.858 PRESSAVG: 855400 -57.8419 -11.8416 23.5553 -11.8416 38.2474 19.9781 23.5553 19.978 12.1039 GPRESSAVG: 855400 -59.6345 -12.859 24.2329 -9.58626 39.5266 16.0029 21.9876 20.7658 12.4761 TIMING: 855400 CPU: 2484.28, 0.00288962/step Wall: 2484.28, 0.00288962/step, 3.32675 hours remaining, 204.324219 MB of memory in use. ENERGY: 855400 748.1220 2088.6095 1993.4246 131.7530 -205311.0896 17352.0816 0.0000 0.0000 34244.5710 -148752.5280 299.0664 -182997.0990 -148648.5022 300.9472 -205.2671 -171.1385 555977.1456 -2.4969 -2.5439 PRESSURE: 855600 99.8511 -5.60325 93.655 -5.60351 130.064 -14.6819 93.6544 -14.6816 214.289 GPRESSURE: 855600 86.1301 26.8195 101.433 -8.86619 167.844 -13.9368 101.406 6.49994 286.942 PRESSAVG: 855600 -48.0333 9.68942 44.3284 9.68932 17.1161 -18.9432 44.3284 -18.9433 4.22331 GPRESSAVG: 855600 -46.9889 8.37805 43.3586 9.20898 16.0198 -16.8467 45.1301 -20.4857 4.3283 TIMING: 855600 CPU: 2484.86, 0.00292603/step Wall: 2484.86, 0.00292603/step, 3.36851 hours remaining, 204.324219 MB of memory in use. ENERGY: 855600 748.0348 2061.4827 1971.3772 118.9005 -206513.4455 18157.1398 0.0000 0.0000 34590.3756 -148866.1348 302.0864 -183456.5104 -148769.5111 300.6304 148.0682 180.3054 556206.9095 -8.8980 -8.8803 PRESSURE: 855800 -129.534 -12.3244 50.7239 -12.3256 -209.343 -31.9354 50.723 -31.9339 -0.592777 GPRESSURE: 855800 -118.311 74.0157 135.413 19.3649 -140.551 -40.932 43.2448 -2.28098 11.9085 PRESSAVG: 855800 -26.4062 16.5973 17.6378 16.5973 56.9257 -0.216057 17.6378 -0.216063 -21.0842 GPRESSAVG: 855800 -26.8564 17.3384 17.3294 14.771 57.4011 -1.05695 18.8767 -0.476307 -21.0098 TIMING: 855800 CPU: 2485.44, 0.00289588/step Wall: 2485.44, 0.00289588/step, 3.33365 hours remaining, 204.324219 MB of memory in use. ENERGY: 855800 749.5808 2154.9192 1986.7096 130.8535 -205522.4626 17535.6994 0.0000 0.0000 34367.1392 -148597.5608 300.1368 -182964.7001 -148508.6877 300.5524 -113.1565 -82.3181 557324.8924 3.1451 3.1783 PRESSURE: 856000 328.86 -12.9166 302.649 -12.917 104.383 1.63426 302.649 1.63462 233.156 GPRESSURE: 856000 330.84 -36.6755 226.248 -22.2081 117.679 70.7042 322.361 21.4406 320.596 PRESSAVG: 856000 2.62761 26.3861 32.3919 26.3861 -10.5373 -74.1431 32.3919 -74.143 -10.4993 GPRESSAVG: 856000 2.74513 26.3275 31.0684 28.6073 -11.4296 -74.0412 31.2607 -71.7402 -9.61391 TIMING: 856000 CPU: 2486.02, 0.00290149/step Wall: 2486.02, 0.00290149/step, 3.33994 hours remaining, 204.324219 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: 856000 704.5228 2173.5406 1984.2807 119.2519 -206317.1317 18162.3850 0.0000 0.0000 34483.3892 -148689.7616 301.1520 -183173.1508 -148591.0060 301.0912 222.1330 256.3717 557493.2312 -6.1363 -6.0995 PRESSURE: 856200 -218.886 13.9874 -26.6491 13.9879 -250.341 41.5376 -26.6485 41.5385 -261.563 GPRESSURE: 856200 -227.902 115.998 1.32138 18.3563 -183.805 38.3853 -21.204 -9.33642 -223.512 PRESSAVG: 856200 49.8106 35.1324 -19.4312 35.1325 0.220218 -53.417 -19.4312 -53.4169 -31.9716 GPRESSAVG: 856200 48.7378 35.3053 -19.4874 32.4513 0.894415 -52.1999 -19.0213 -54.6838 -32.0308 TIMING: 856200 CPU: 2486.6, 0.00290151/step Wall: 2486.6, 0.00290151/step, 3.3398 hours remaining, 204.324219 MB of memory in use. ENERGY: 856200 731.9658 2111.0574 1972.2021 111.9589 -205771.8049 17607.1406 0.0000 0.0000 34349.2386 -148888.2415 299.9804 -183237.4801 -148785.0048 300.4658 -243.5966 -211.7398 558683.8252 6.0197 5.8671 LDB: ============= START OF LOAD BALANCING ============== 2490.07 LDB: ============== END OF LOAD BALANCING =============== 2490.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2490.07 LDB: ============= START OF LOAD BALANCING ============== 2490.36 LDB: Largest compute 4820 load 0.028324 is 24.1% of average load 0.117598 LDB: Average compute 0.001736 is 1.5% of average load 0.117598 LDB: TIME 2490.36 LOAD: AVG 0.117598 MAX 0.180583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 2490.36 LOAD: AVG 0.117598 MAX 0.180583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: TIME 2490.36 LOAD: AVG 0.117598 MAX 0.180583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: ============== END OF LOAD BALANCING =============== 2490.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2490.37 PRESSURE: 856400 -236.353 3.22376 -137.827 3.22518 -117.812 139.572 -137.827 139.572 -192.801 GPRESSURE: 856400 -167.62 25.6505 -116.726 -51.8314 -161.698 93.5313 -65.6773 162.758 -131.811 PRESSAVG: 856400 72.0071 15.7697 25.7864 15.7697 -45.2685 -15.562 25.7864 -15.562 -46.5516 GPRESSAVG: 856400 73.5968 16.8363 27.2073 16.6678 -46.1795 -20.0615 25.9838 -15.2214 -47.1927 TIMING: 856400 CPU: 2487.19, 0.00295505/step Wall: 2487.19, 0.00295505/step, 3.40126 hours remaining, 205.480469 MB of memory in use. ENERGY: 856400 733.3173 2069.2919 1984.0257 112.3356 -205596.5422 17510.7758 0.0000 0.0000 34387.7268 -148799.0691 300.3166 -183186.7959 -148697.2034 300.2151 -182.3219 -153.7095 558596.2191 -6.6043 -6.5918 PRESSURE: 856600 -337.851 86.6783 -44.1279 86.6777 -55.6249 -67.6378 -44.1281 -67.6376 -10.9389 GPRESSURE: 856600 -332.987 36.4373 -70.5415 93.2087 -9.68076 16.3839 31.802 -72.1623 39.3722 PRESSAVG: 856600 2.3375 41.6965 -30.8388 41.6966 64.0146 3.82937 -30.8388 3.8295 -53.0045 GPRESSAVG: 856600 0.3976 39.6151 -30.4733 43.6852 65.6926 5.7468 -31.0003 5.05144 -52.7334 TIMING: 856600 CPU: 2487.77, 0.00290398/step Wall: 2487.77, 0.00290398/step, 3.34232 hours remaining, 205.683594 MB of memory in use. ENERGY: 856600 751.2320 2085.7321 1979.1185 123.0572 -205695.3188 17591.6761 0.0000 0.0000 34351.9535 -148812.5494 300.0042 -183164.5029 -148718.8745 299.9258 -134.8049 -101.0986 559268.8626 4.4492 4.4523 PRESSURE: 856800 30.7117 -10.2878 0.0836569 -10.2873 -177.847 -90.0998 0.0846171 -90.1004 15.0213 GPRESSURE: 856800 28.6454 -61.5219 -49.8722 26.8968 -117.237 -111.821 54.9891 -84.6605 45.7834 PRESSAVG: 856800 22.7306 14.3039 -42.9448 14.3039 5.8092 7.96079 -42.9448 7.9608 -61.3124 GPRESSAVG: 856800 24.3248 16.0357 -43.6864 12.3305 5.14826 11.0236 -43.6708 6.83509 -62.1546 TIMING: 856800 CPU: 2488.36, 0.00292634/step Wall: 2488.36, 0.00292634/step, 3.3679 hours remaining, 205.683594 MB of memory in use. ENERGY: 856800 760.2282 2113.7003 2006.4560 110.8864 -205874.7452 17737.8366 0.0000 0.0000 34422.4752 -148723.1626 300.6200 -183145.6377 -148629.7478 300.4579 -44.0379 -14.2693 558666.9155 -10.9242 -10.8938 PRESSURE: 857000 -38.7384 -18.6523 -34.4311 -18.6532 78.8568 -185.725 -34.4305 -185.724 -11.5516 GPRESSURE: 857000 -9.09473 29.0465 -28.215 9.25404 138.351 -212.33 -37.5238 -179.948 -11.6397 PRESSAVG: 857000 -8.95382 19.2716 2.28513 19.2715 1.41628 1.63967 2.28514 1.63965 2.87462 GPRESSAVG: 857000 -9.67813 19.479 2.53145 20.6945 0.946956 0.610656 1.29492 0.993515 3.63695 TIMING: 857000 CPU: 2488.94, 0.00290288/step Wall: 2488.94, 0.00290288/step, 3.34073 hours remaining, 205.683594 MB of memory in use. ENERGY: 857000 745.0026 2067.7787 1971.8977 113.9975 -206136.6625 17930.4775 0.0000 0.0000 34366.6868 -148940.8217 300.1328 -183307.5085 -148840.9048 299.8218 9.5223 39.2055 557697.2949 -1.5543 -1.6981 PRESSURE: 857200 126.61 -206.828 -2.05317 -206.828 -145.077 110.35 -2.05362 110.351 91.0353 GPRESSURE: 857200 82.6361 -110.962 8.79326 -274.412 -114.448 191.464 6.77567 11.8212 187.687 PRESSAVG: 857200 30.5978 -8.64402 -20.6158 -8.64401 -21.8768 -22.8255 -20.6158 -22.8256 4.29595 GPRESSAVG: 857200 30.062 -9.08702 -19.4196 -8.95615 -22.0237 -25.0254 -18.0737 -21.7857 4.70823 TIMING: 857200 CPU: 2489.52, 0.00291416/step Wall: 2489.52, 0.00291416/step, 3.35356 hours remaining, 205.683594 MB of memory in use. ENERGY: 857200 781.3437 2057.5392 1966.5309 118.7387 -206415.7549 18043.6107 0.0000 0.0000 34372.3991 -149075.5927 300.1827 -183447.9918 -148980.3540 299.7182 24.1896 51.9582 557899.8548 4.3390 4.2488 PRESSURE: 857400 -278.855 38.1788 18.4543 38.1783 227.885 -124 18.4541 -123.999 123.252 GPRESSURE: 857400 -182.238 -28.9963 -3.30951 5.74101 254.522 -179.154 -68.6219 -70.9303 105.936 PRESSAVG: 857400 37.4181 -17.3174 -12.5165 -17.3173 -25.5132 -27.0612 -12.5164 -27.0611 52.6646 GPRESSAVG: 857400 37.9323 -15.9669 -14.3077 -19.7673 -25.0275 -25.9188 -13.5735 -28.2069 51.559 TIMING: 857400 CPU: 2490.1, 0.00287258/step Wall: 2490.1, 0.00287258/step, 3.30554 hours remaining, 205.683594 MB of memory in use. ENERGY: 857400 734.2666 2068.9721 1958.2716 109.3731 -206180.9037 17931.4422 0.0000 0.0000 34198.0354 -149180.5427 298.6599 -183378.5781 -149083.5035 299.2384 24.0941 59.4066 557711.7765 21.5232 21.4880 PRESSURE: 857600 -103.888 -12.3977 81.9611 -12.3974 -216.68 -17.7368 81.9615 -17.7349 -184.246 GPRESSURE: 857600 -83.9483 60.8273 143.803 91.3452 -168.212 3.20958 -31.0542 35.974 -162.57 PRESSAVG: 857600 -15.7648 -36.9816 -16.2698 -36.9817 -25.8317 -23.5655 -16.2698 -23.5655 12.1475 GPRESSAVG: 857600 -14.8609 -33.4614 -15.3512 -35.4248 -26.4007 -21.3562 -14.4883 -23.9591 12.0265 TIMING: 857600 CPU: 2490.67, 0.00287059/step Wall: 2490.67, 0.00287059/step, 3.30309 hours remaining, 205.683594 MB of memory in use. ENERGY: 857600 764.2002 2065.0148 1990.9602 122.6153 -206057.8151 17688.2215 0.0000 0.0000 34249.5665 -149177.2365 299.1100 -183426.8030 -149084.0598 298.5321 -168.2713 -138.2434 558342.6227 -9.8163 -9.7451 PRESSURE: 857800 -17.5157 -125.218 142.932 -125.219 27.0167 18.1122 142.932 18.1122 -140.824 GPRESSURE: 857800 42.1264 -131.725 158.923 -73.6157 3.53738 -21.5719 182.953 136.92 -74.0763 PRESSAVG: 857800 25.8621 43.9273 -12.1814 43.9272 -10.8988 -18.1183 -12.1814 -18.1184 -5.5993 GPRESSAVG: 857800 24.7487 39.9781 -13.0301 45.5683 -10.8813 -19.9522 -13.6507 -16.4796 -4.61507 TIMING: 857800 CPU: 2491.25, 0.00289386/step Wall: 2491.25, 0.00289386/step, 3.32971 hours remaining, 205.683594 MB of memory in use. ENERGY: 857800 744.7182 2102.6054 1970.4905 109.8354 -205985.6868 17774.7098 0.0000 0.0000 34058.0403 -149225.2871 297.4373 -183283.3275 -149135.4710 298.6632 -43.7745 -9.4708 557262.8910 3.1213 3.0841 PRESSURE: 858000 184.491 -108.398 -78.3158 -108.398 -38.2512 19.7426 -78.3163 19.7422 60.3422 GPRESSURE: 858000 161.236 -69.9655 -65.3488 -89.0255 3.48572 18.5342 -154.861 51.2765 127.773 PRESSAVG: 858000 3.67728 -56.8772 27.2826 -56.8772 -28.6228 -33.7483 27.2827 -33.7484 23.9311 GPRESSAVG: 858000 3.74927 -56.7479 28.2963 -59.8675 -28.678 -33.1715 25.8404 -35.6044 23.5653 TIMING: 858000 CPU: 2491.83, 0.00288733/step Wall: 2491.83, 0.00288733/step, 3.32203 hours remaining, 205.683594 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: 858000 765.0013 2105.9052 1981.9618 113.2256 -205984.9069 17809.1382 0.0000 0.0000 34153.0056 -149056.6693 298.2667 -183209.6749 -148960.3910 299.2186 68.8606 97.4982 558353.7148 -0.3381 -0.4545 PRESSURE: 858200 -17.9298 -82.7097 -3.35047 -82.7092 168.969 -28.4147 -3.34974 -28.4138 -31.4141 GPRESSURE: 858200 23.2819 -102.772 31.5954 -27.0386 164.28 -17.1094 -29.1603 -81.561 40.5768 PRESSAVG: 858200 -11.412 -41.6853 25.9152 -41.6853 9.98043 29.086 25.9152 29.0859 36.8655 GPRESSAVG: 858200 -12.2875 -42.0329 27.0484 -38.8194 10.2784 28.4563 25.4467 29.2313 37.4035 TIMING: 858200 CPU: 2492.41, 0.00291203/step Wall: 2492.41, 0.00291203/step, 3.35029 hours remaining, 205.683594 MB of memory in use. ENERGY: 858200 709.0132 2078.3057 1963.4435 107.3969 -206207.7978 17862.8344 0.0000 0.0000 34288.1562 -149198.6480 299.4470 -183486.8042 -149097.8572 298.8101 39.8750 76.0461 556923.0685 11.8113 11.7981 PRESSURE: 858400 -183.909 74.7366 33.6355 74.735 -72.7708 -42.612 33.6354 -42.6113 80.665 GPRESSURE: 858400 -159.567 96.9801 59.7747 29.5754 -53.5479 -90.3496 52.4478 -72.6924 139.013 PRESSAVG: 858400 -24.6446 -11.9344 17.5634 -11.9343 -19.4806 11.0821 17.5633 11.0821 53.7146 GPRESSAVG: 858400 -24.7169 -12.4222 17.2958 -12.0715 -19.5797 10.342 18.8318 12.7984 53.4885 TIMING: 858400 CPU: 2492.99, 0.00291775/step Wall: 2492.99, 0.00291775/step, 3.35671 hours remaining, 205.683594 MB of memory in use. ENERGY: 858400 760.7523 2045.0160 1959.1150 118.5244 -205944.7745 17717.6944 0.0000 0.0000 34271.4601 -149072.2122 299.3012 -183343.6723 -148969.6941 298.6108 -58.6716 -24.7006 558964.9463 3.1965 3.0640 PRESSURE: 858600 -80.6527 -23.5422 -147.099 -23.5425 95.5155 116.349 -147.099 116.35 -356.242 GPRESSURE: 858600 -64.9924 -44.7534 -26.5401 -61.536 105.308 99.7252 -185.988 138.015 -279.563 PRESSAVG: 858600 2.42104 1.13844 53.6826 1.13847 -30.9248 45.6298 53.6826 45.6298 23.6197 GPRESSAVG: 858600 2.36891 2.31077 52.9153 -1.92206 -30.0265 48.3749 54.6409 44.5065 23.0675 TIMING: 858600 CPU: 2493.57, 0.00289707/step Wall: 2493.57, 0.00289707/step, 3.33275 hours remaining, 205.683594 MB of memory in use. ENERGY: 858600 736.5378 2135.1582 1995.9588 125.4343 -205809.4044 17552.5300 0.0000 0.0000 34085.5092 -149178.2761 297.6772 -183263.7853 -149085.6705 299.2407 -113.7932 -79.7492 557596.9531 -1.6280 -1.5300 PRESSURE: 858800 74.5887 70.4306 -75.7234 70.43 -193.747 88.4974 -75.7228 88.4952 181.243 GPRESSURE: 858800 110.19 49.759 -68.6337 93.2132 -172.395 130.622 -112.492 -43.0115 230.518 PRESSAVG: 858800 9.07367 39.058 17.6122 39.058 2.68006 -18.9696 17.6122 -18.9695 14.493 GPRESSAVG: 858800 10.0105 39.4198 15.8213 40.4163 2.00075 -21.1301 18.0414 -20.7393 13.865 TIMING: 858800 CPU: 2494.15, 0.00289746/step Wall: 2494.15, 0.00289746/step, 3.33305 hours remaining, 205.683594 MB of memory in use. ENERGY: 858800 749.2904 2093.9003 1979.2962 111.9098 -206206.8382 17903.1097 0.0000 0.0000 34131.7294 -149237.6024 298.0809 -183369.3318 -149142.9197 299.3890 20.6950 56.1042 558506.2973 8.7489 8.6254 PRESSURE: 859000 -220.933 -29.6597 -48.0295 -29.6595 52.366 -119.241 -48.0299 -119.24 -4.68743 GPRESSURE: 859000 -185.831 -27.4606 -2.40007 -133.753 93.0848 -188.728 -107.681 27.4854 12.387 PRESSAVG: 859000 -37.5873 -36.1139 20.5897 -36.1138 9.02768 -49.9519 20.5897 -49.9517 14.9388 GPRESSAVG: 859000 -37.5966 -38.234 21.5882 -36.2174 8.61512 -51.6897 19.4384 -46.6789 15.1809 TIMING: 859000 CPU: 2494.74, 0.00293416/step Wall: 2494.74, 0.00293416/step, 3.3751 hours remaining, 205.683594 MB of memory in use. ENERGY: 859000 758.0863 2106.0388 1976.1919 108.7986 -205845.5628 17673.0838 0.0000 0.0000 34033.1387 -149190.2247 297.2199 -183223.3634 -149089.5504 299.3213 -57.7514 -26.7864 558019.7416 -4.5403 -4.6002 PRESSURE: 859200 51.6409 -21.403 103.724 -21.4032 71.165 128.159 103.724 128.16 -289.149 GPRESSURE: 859200 32.7045 61.3218 78.5595 -71.5742 76.9246 50.1554 138.636 58.2975 -184.639 PRESSAVG: 859200 -13.1502 -49.6629 -33.2259 -49.6628 42.2148 15.0049 -33.2259 15.005 -33.7402 GPRESSAVG: 859200 -14.068 -47.304 -31.6446 -50.088 41.6953 18.4432 -34.0084 12.8703 -32.3227 TIMING: 859200 CPU: 2495.32, 0.00290847/step Wall: 2495.32, 0.00290847/step, 3.34538 hours remaining, 205.683594 MB of memory in use. ENERGY: 859200 760.5965 2084.5316 1956.8022 109.9523 -206360.6213 17905.5761 0.0000 0.0000 34324.7949 -149218.3677 299.7670 -183543.1625 -149119.1831 299.4610 -55.4475 -25.0032 557549.5652 -1.5585 -1.5651 PRESSURE: 859400 -47.9525 4.88765 -43.298 4.88711 24.1401 24.5148 -43.2991 24.5185 -6.04701 GPRESSURE: 859400 -17.5859 49.1072 -113.806 18.2381 27.9324 -33.8608 25.245 2.62477 62.3966 PRESSAVG: 859400 4.68817 -40.1373 -17.2825 -40.1373 -24.0711 4.45438 -17.2825 4.45441 -2.20208 GPRESSAVG: 859400 4.67268 -41.9775 -19.3821 -38.3162 -22.2899 3.1586 -16.4388 4.16019 -3.79679 TIMING: 859400 CPU: 2495.9, 0.00289763/step Wall: 2495.9, 0.00289763/step, 3.33275 hours remaining, 205.683594 MB of memory in use. ENERGY: 859400 723.6811 2104.2095 1967.6694 109.3057 -206098.4471 17745.6304 0.0000 0.0000 34442.8219 -149005.1292 300.7977 -183447.9511 -148897.7285 299.3565 -9.9531 24.2477 556172.8888 -7.1950 -7.1380 PRESSURE: 859600 180.07 81.8084 -18.4252 81.8076 226.127 72.9611 -18.4262 72.9616 49.5056 GPRESSURE: 859600 234.061 57.1992 -5.25623 103.993 195.958 8.02339 -72.6063 143.358 123.865 PRESSAVG: 859600 -37.5067 24.4452 -35.1568 24.4452 129.922 2.76067 -35.1568 2.76064 -53.3856 GPRESSAVG: 859600 -37.0718 25.684 -32.9652 23.2783 129.794 2.37348 -38.8802 3.82296 -53.5713 TIMING: 859600 CPU: 2496.48, 0.00288643/step Wall: 2496.48, 0.00288643/step, 3.31972 hours remaining, 205.683594 MB of memory in use. ENERGY: 859600 703.2483 2131.6940 1975.9344 117.3068 -206106.1361 18021.0544 0.0000 0.0000 34103.8843 -149053.0139 297.8377 -183156.8982 -148960.4058 299.5238 151.9010 184.6277 556374.2368 13.0098 13.0503 PRESSURE: 859800 -6.24212 -147.994 -88.6609 -147.994 146.58 -36.9387 -88.6608 -36.9384 -76.485 GPRESSURE: 859800 43.8545 -204.515 -202.906 -161.627 155.66 12.2593 -31.1804 -87.6717 -28.5957 PRESSAVG: 859800 3.76917 -13.9495 -79.9569 -13.9495 59.4625 35.4671 -79.9569 35.4671 -86.7391 GPRESSAVG: 859800 5.64397 -15.346 -84.1031 -11.7906 58.0802 35.1147 -76.6071 35.217 -86.6117 TIMING: 859800 CPU: 2497.06, 0.00289684/step Wall: 2497.06, 0.00289684/step, 3.33153 hours remaining, 205.683594 MB of memory in use. ENERGY: 859800 751.2914 2039.8443 1983.1066 104.0462 -206273.8325 17950.9195 0.0000 0.0000 34335.9709 -149108.6537 299.8646 -183444.6246 -149013.3171 299.1879 21.2843 56.9731 557612.6970 -7.8358 -7.6292 PRESSURE: 860000 -124.263 -56.2881 26.8077 -56.288 -166.466 34.7133 26.8079 34.713 18.7563 GPRESSURE: 860000 -106.814 -39.0802 46.5574 -6.96748 -116.569 13.6242 6.2248 106.323 50.9937 PRESSAVG: 860000 30.8799 -20.9494 -34.6654 -20.9494 38.9252 -19.9769 -34.6654 -19.9769 -27.2637 GPRESSAVG: 860000 30.0448 -17.7037 -32.4526 -21.8728 40.1786 -19.7733 -36.2797 -19.8332 -28.3214 TIMING: 860000 CPU: 2497.64, 0.00290674/step Wall: 2497.64, 0.00290674/step, 3.34275 hours remaining, 205.683594 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: 860000 765.7945 2062.8722 1975.2791 107.7157 -205763.0933 17638.8083 0.0000 0.0000 34248.0606 -148964.5630 299.0968 -183212.6235 -148876.2361 299.1434 -90.6577 -57.4631 557953.1134 14.1805 13.9674 PRESSURE: 860200 115.146 0.353298 10.615 0.353229 -10.0487 -98.1383 10.6159 -98.1397 -44.1336 GPRESSURE: 860200 173.539 -97.9793 -37.8435 -42.9934 41.2264 -60.8397 11.1344 -141.422 -50.8531 PRESSAVG: 860200 25.8625 -27.0824 0.0248403 -27.0824 -33.7618 19.8213 0.0250438 19.8214 39.0161 GPRESSAVG: 860200 26.805 -27.9187 1.3018 -30.0582 -35.4759 19.2091 -0.0723776 20.1862 40.6136 TIMING: 860200 CPU: 2498.22, 0.00290935/step Wall: 2498.22, 0.00290935/step, 3.34559 hours remaining, 205.683594 MB of memory in use. ENERGY: 860200 725.0473 2071.0216 1986.2819 112.1819 -205907.6767 17740.2625 0.0000 0.0000 34274.5835 -148998.2980 299.3285 -183272.8815 -148906.5655 299.9512 20.3214 54.6373 557687.3610 10.3723 10.6475 LDB: ============= START OF LOAD BALANCING ============== 2501.69 LDB: ============== END OF LOAD BALANCING =============== 2501.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2501.69 LDB: ============= START OF LOAD BALANCING ============== 2501.98 LDB: Largest compute 4820 load 0.026964 is 22.9% of average load 0.117570 LDB: Average compute 0.001736 is 1.5% of average load 0.117570 LDB: TIME 2501.98 LOAD: AVG 0.11757 MAX 0.176125 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.168 MB LDB: TIME 2501.98 LOAD: AVG 0.11757 MAX 0.176125 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: TIME 2501.98 LOAD: AVG 0.11757 MAX 0.176125 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: ============== END OF LOAD BALANCING =============== 2501.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2501.98 PRESSURE: 860400 -227.215 -58.7107 -110.143 -58.7109 97.0071 17.058 -110.142 17.059 40.7979 GPRESSURE: 860400 -204.438 -6.8009 -162.316 -96.8079 107.281 -59.281 -119.74 73.1967 103.009 PRESSAVG: 860400 -25.5566 -22.6758 13.2226 -22.6758 22.1065 -0.967504 13.2226 -0.967595 17.7946 GPRESSAVG: 860400 -26.9986 -25.8557 14.3023 -18.7408 22.6376 0.367172 10.8771 -2.49542 18.4525 TIMING: 860400 CPU: 2498.81, 0.00294948/step Wall: 2498.81, 0.00294948/step, 3.39157 hours remaining, 204.710938 MB of memory in use. ENERGY: 860400 690.9652 2094.9145 1979.8795 99.9050 -205840.3191 17657.5300 0.0000 0.0000 34478.5823 -148838.5426 301.1100 -183317.1248 -148744.4935 300.3603 -29.8033 1.9507 557582.8268 4.7815 4.6972 PRESSURE: 860600 -93.4153 -5.42177 -111.142 -5.42237 -57.9303 57.1678 -111.143 57.1691 143.122 GPRESSURE: 860600 -21.793 11.0133 -139.89 105.707 6.30067 -4.38271 -76.6663 72.8466 102.158 PRESSAVG: 860600 75.5211 -26.6083 -50.8329 -26.6085 -33.9082 14.1453 -50.8329 14.1453 -25.301 GPRESSAVG: 860600 76.0824 -24.3529 -52.7831 -27.0507 -33.7533 13.4863 -47.3127 15.0273 -26.1741 TIMING: 860600 CPU: 2499.39, 0.00289328/step Wall: 2499.39, 0.00289328/step, 3.32679 hours remaining, 204.968750 MB of memory in use. ENERGY: 860600 736.1312 2128.2872 1960.3214 109.3171 -205794.2545 17725.5776 0.0000 0.0000 34129.8835 -149004.7364 298.0648 -183134.6200 -148907.5876 300.2477 -2.7412 28.8885 558516.4328 5.4373 5.3850 PRESSURE: 860800 -214.955 79.7641 -26.39 79.7651 -61.7256 -26.7201 -26.3912 -26.7211 -53.6976 GPRESSURE: 860800 -167.924 109.879 -113.593 114.49 -68.5623 -60.1352 5.23013 -80.5898 6.19241 PRESSAVG: 860800 117.435 29.1695 -16.502 29.1696 -33.1477 -23.8267 -16.502 -23.8269 -82.0789 GPRESSAVG: 860800 118.134 29.5109 -16.8172 28.4461 -34.4558 -23.4643 -16.4744 -22.9816 -81.5299 TIMING: 860800 CPU: 2499.97, 0.00289245/step Wall: 2499.97, 0.00289245/step, 3.32567 hours remaining, 204.968750 MB of memory in use. ENERGY: 860800 766.6309 2105.3158 1979.5903 98.3645 -205851.2222 17681.5373 0.0000 0.0000 34219.4047 -149000.3787 298.8466 -183219.7834 -148898.8249 299.4249 -110.1260 -76.7645 558540.6305 0.7363 0.7161 PRESSURE: 861000 57.5831 -41.5132 1.89913 -41.5129 -176.521 88.9139 1.90008 88.9144 45.101 GPRESSURE: 861000 52.0829 -52.3077 -19.9329 4.92437 -160.872 46.6282 -28.843 66.122 119.169 PRESSAVG: 861000 57.8567 13.4707 12.7573 13.4707 -24.8216 -39.5451 12.7573 -39.545 1.1151 GPRESSAVG: 861000 57.0137 13.932 14.2616 12.695 -24.0513 -40.487 11.6124 -38.6067 0.932764 TIMING: 861000 CPU: 2500.54, 0.00289198/step Wall: 2500.54, 0.00289198/step, 3.32498 hours remaining, 204.968750 MB of memory in use. ENERGY: 861000 747.5425 2119.6312 1972.4410 113.8593 -205989.4651 17746.7659 0.0000 0.0000 34460.1099 -148829.1152 300.9487 -183289.2252 -148733.4351 299.5461 -24.6122 3.4600 559432.1946 11.3834 11.2984 PRESSURE: 861200 89.8395 11.0276 68.9363 11.0272 -97.0363 -33.0182 68.9363 -33.018 209.529 GPRESSURE: 861200 126.786 -51.8265 -10.3689 -55.8517 -29.3689 -41.689 63.1656 -46.6954 197.979 PRESSAVG: 861200 9.14754 8.14761 57.0594 8.14752 -10.0265 7.42874 57.0593 7.42865 17.2031 GPRESSAVG: 861200 8.45946 6.19193 55.4452 8.80544 -8.91925 8.57885 56.5316 4.88281 16.9603 TIMING: 861200 CPU: 2501.12, 0.0028806/step Wall: 2501.12, 0.0028806/step, 3.31172 hours remaining, 204.968750 MB of memory in use. ENERGY: 861200 758.5412 2094.5145 1969.3770 113.1329 -206335.2976 17893.1378 0.0000 0.0000 34535.3369 -148971.2573 301.6057 -183506.5942 -148879.3717 299.9371 67.4440 98.4654 558216.3294 5.4414 5.5002 PRESSURE: 861400 147.142 -1.49548 -3.03656 -1.49542 -216.873 -255.534 -3.03651 -255.535 201.958 GPRESSURE: 861400 193.93 12.5839 -2.88588 2.44297 -175.575 -313.432 -59.2964 -183.103 213.887 PRESSAVG: 861400 -13.4635 7.3835 -10.703 7.3835 -2.8505 -71.8614 -10.703 -71.8614 12.2534 GPRESSAVG: 861400 -12.8026 6.67632 -8.9169 8.13315 -2.33226 -71.9264 -9.70126 -69.6828 11.5088 TIMING: 861400 CPU: 2501.7, 0.00289551/step Wall: 2501.7, 0.00289551/step, 3.32871 hours remaining, 204.968750 MB of memory in use. ENERGY: 861400 722.2711 2077.7759 1968.2653 133.2449 -205954.4889 17892.5607 0.0000 0.0000 34147.8491 -149012.5219 298.2217 -183160.3710 -148915.9068 299.7406 44.0754 77.4143 558300.0083 -1.3535 -1.2087 PRESSURE: 861600 -187.079 -7.78322 144.688 -7.78371 96.55 -178.028 144.69 -178.027 104.817 GPRESSURE: 861600 -114.079 14.0662 146.443 32.3949 148.954 -60.9925 61.1212 -240.82 79.005 PRESSAVG: 861600 13.5556 0.086607 -1.3558 0.0865941 9.70092 -82.2337 -1.35577 -82.2338 -6.16861 GPRESSAVG: 861600 13.7275 1.18909 -0.360339 -0.928513 8.89578 -82.1057 -2.29191 -84.1731 -5.0986 TIMING: 861600 CPU: 2502.28, 0.00289691/step Wall: 2502.28, 0.00289691/step, 3.33016 hours remaining, 204.968750 MB of memory in use. ENERGY: 861600 763.3517 2044.0115 1961.4653 125.8042 -206344.5604 17957.0019 0.0000 0.0000 34504.8190 -148988.1068 301.3392 -183492.9258 -148890.5428 299.9898 4.7626 37.9602 556999.3779 5.6960 5.8416 PRESSURE: 861800 172.601 -30.6288 28.034 -30.6294 -5.16208 -49.913 28.0329 -49.9128 109.577 GPRESSURE: 861800 182.079 -29.812 20.9316 3.79968 27.8034 -78.3646 27.84 -64.8625 161.464 PRESSAVG: 861800 -21.5058 20.3341 38.3138 20.334 -56.4201 -30.0872 38.3138 -30.0873 67.3081 GPRESSAVG: 861800 -21.9678 20.284 37.3962 21.4484 -56.509 -30.1651 38.8434 -30.5923 66.7332 TIMING: 861800 CPU: 2502.86, 0.00291305/step Wall: 2502.86, 0.00291305/step, 3.34855 hours remaining, 204.968750 MB of memory in use. ENERGY: 861800 723.0634 2106.5128 1962.5491 122.1216 -206146.3892 17799.2662 0.0000 0.0000 34432.0036 -149000.8725 300.7033 -183432.8762 -148904.5242 300.3257 92.3384 123.7822 556348.5671 -3.5392 -3.9145 PRESSURE: 862000 -146.605 -103.365 171.06 -103.365 -4.50776 12.0066 171.059 12.0066 -107.459 GPRESSURE: 862000 -66.7932 -180.898 186.3 -100.281 14.6576 95.2016 133.408 62.6117 -108.13 PRESSAVG: 862000 -51.8792 14.5438 31.8127 14.5437 64.9336 -17.2194 31.8126 -17.2192 -63.5395 GPRESSAVG: 862000 -50.6608 14.9642 32.8098 13.5958 64.6137 -14.9105 30.3393 -16.6973 -64.2198 TIMING: 862000 CPU: 2503.44, 0.00288641/step Wall: 2503.44, 0.00288641/step, 3.31777 hours remaining, 205.078125 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: 862000 695.3243 2040.3515 1987.5454 104.9636 -205820.9648 17577.7963 0.0000 0.0000 34304.8082 -149110.1755 299.5924 -183414.9837 -149013.4211 299.8898 -86.1906 -53.4218 557155.9058 -16.8284 -16.7556 PRESSURE: 862200 -213.339 91.0098 113.63 91.0081 -104.502 183.039 113.631 183.039 90.874 GPRESSURE: 862200 -231.444 80.9768 81.9567 227.784 -43.5013 105.775 76.464 157.431 142.345 PRESSAVG: 862200 16.1533 44.7886 36.9123 44.7886 25.8498 -41.8067 36.9123 -41.8067 -33.0632 GPRESSAVG: 862200 15.2043 44.3511 36.6484 45.6638 26.1163 -43.2037 39.9634 -40.671 -32.5779 TIMING: 862200 CPU: 2504.02, 0.00288483/step Wall: 2504.02, 0.00288483/step, 3.31579 hours remaining, 205.078125 MB of memory in use. ENERGY: 862200 741.2550 2077.5471 1996.0110 117.2900 -205920.5441 17716.8298 0.0000 0.0000 34357.3193 -148914.2919 300.0510 -183271.6112 -148818.2836 300.1597 -75.6554 -44.2001 558262.3808 2.9800 2.9142 PRESSURE: 862400 -47.2042 -10.0943 24.2422 -10.0953 -75.4976 -10.5185 24.2419 -10.5185 21.3389 GPRESSURE: 862400 26.5702 -94.9127 24.0652 56.8423 -70.4934 -43.4544 -56.6891 -17.7914 44.81 PRESSAVG: 862400 -89.3374 43.9246 25.7937 43.9246 47.0051 -37.0505 25.7938 -37.0506 75.2307 GPRESSAVG: 862400 -89.1939 44.6238 26.2177 43.4458 47.1022 -37.7105 24.1613 -35.731 75.4662 TIMING: 862400 CPU: 2504.6, 0.00291569/step Wall: 2504.6, 0.00291569/step, 3.3511 hours remaining, 205.078125 MB of memory in use. ENERGY: 862400 756.9177 2068.8980 2003.0722 118.4817 -205998.1104 17701.0853 0.0000 0.0000 34405.4949 -148944.1605 300.4717 -183349.6555 -148846.7945 299.8826 -33.7877 0.2956 557915.3248 10.9661 11.1249 PRESSURE: 862600 45.6651 84.111 -23.3854 84.1108 240.367 -291.475 -23.385 -291.475 -40.463 GPRESSURE: 862600 74.1847 109.505 -2.52455 44.5988 266.058 -254.97 -60.0298 -300.486 -1.09462 PRESSAVG: 862600 -21.938 11.1038 54.646 11.1038 -2.0347 1.41096 54.646 1.41101 23.9645 GPRESSAVG: 862600 -22.002 9.34083 53.3225 10.4629 -1.78324 2.13911 54.9121 -0.488704 24.28 TIMING: 862600 CPU: 2505.18, 0.00289538/step Wall: 2505.18, 0.00289538/step, 3.3276 hours remaining, 205.078125 MB of memory in use. ENERGY: 862600 748.1005 2083.5493 1986.0137 97.8774 -205996.8588 17733.2996 0.0000 0.0000 34238.5074 -149109.5108 299.0134 -183348.0183 -149009.3227 299.2651 81.8563 113.0493 555687.9683 -0.0028 0.1649 PRESSURE: 862800 -33.1922 -38.6406 -166.667 -38.6407 -83.4968 -90.1355 -166.668 -90.1369 1.10165 GPRESSURE: 862800 9.08821 51.016 -172.866 -114.203 -30.1607 -118.046 -185.36 -52.814 18.6155 PRESSAVG: 862800 33.289 -27.3978 15.5103 -27.3978 6.50077 -25.1089 15.5103 -25.109 -6.18515 GPRESSAVG: 862800 34.4871 -26.0177 16.954 -27.5209 6.65694 -25.2492 15.7302 -24.9559 -7.71545 TIMING: 862800 CPU: 2505.76, 0.00288641/step Wall: 2505.76, 0.00288641/step, 3.31713 hours remaining, 205.078125 MB of memory in use. ENERGY: 862800 742.4648 2067.5406 1989.7405 114.5521 -205900.1146 17711.8551 0.0000 0.0000 34158.6967 -149115.2646 298.3164 -183273.9613 -149019.5497 299.6055 -38.5291 -0.8190 556824.9896 11.2015 11.1429 PRESSURE: 863000 6.74871 -201.674 77.5544 -201.673 -64.2933 82.3918 77.5548 82.3917 65.2041 GPRESSURE: 863000 17.7206 -184.866 65.5969 -172.813 16.0617 73.714 67.8201 38.5212 77.8383 PRESSAVG: 863000 31.0855 -3.6079 -26.3312 -3.60789 -7.97361 -54.9198 -26.3312 -54.9198 -10.032 GPRESSAVG: 863000 29.3649 -3.25013 -27.4802 -2.45614 -7.00318 -55.4041 -26.4191 -55.37 -9.38833 TIMING: 863000 CPU: 2506.33, 0.00289336/step Wall: 2506.33, 0.00289336/step, 3.32495 hours remaining, 205.078125 MB of memory in use. ENERGY: 863000 756.9704 2117.8650 1955.8132 103.9452 -205930.5433 17780.9418 0.0000 0.0000 34169.9837 -149045.0240 298.4150 -183215.0077 -148948.4178 299.6399 2.5532 37.2069 557150.4636 4.3600 4.3244 PRESSURE: 863200 -30.0013 18.2236 100.292 18.223 166.132 -46.6773 100.292 -46.6769 23.8803 GPRESSURE: 863200 -5.20367 9.51169 124.088 9.13598 172.037 57.6275 91.93 -50.6017 90.371 PRESSAVG: 863200 11.2223 -20.9088 21.7909 -20.9088 -35.8324 -9.86441 21.7909 -9.86436 -4.26123 GPRESSAVG: 863200 13.051 -21.2695 22.3942 -20.2094 -37.4789 -8.22738 21.4348 -9.21235 -4.30064 TIMING: 863200 CPU: 2506.91, 0.00288667/step Wall: 2506.91, 0.00288667/step, 3.3171 hours remaining, 205.078125 MB of memory in use. ENERGY: 863200 719.8560 2159.2515 1958.7573 136.2743 -205973.0056 17749.2742 0.0000 0.0000 34290.3952 -148959.1972 299.4665 -183249.5924 -148865.4139 299.4115 53.3372 85.7348 557998.8376 -9.6238 -9.5762 PRESSURE: 863400 18.286 10.6774 97.2536 10.6787 -213.859 -20.5683 97.2559 -20.5674 24.9772 GPRESSURE: 863400 14.1858 -20.8897 75.8614 -48.8175 -181.969 -63.3325 88.3997 -103.182 93.0329 PRESSAVG: 863400 18.7215 30.4168 30.2923 30.4168 -34.8425 -6.2961 30.2923 -6.29605 5.82299 GPRESSAVG: 863400 17.1266 28.9623 29.7316 28.9133 -33.9963 -9.04965 30.417 -5.59103 6.25683 TIMING: 863400 CPU: 2507.49, 0.00288595/step Wall: 2507.49, 0.00288595/step, 3.31612 hours remaining, 205.078125 MB of memory in use. ENERGY: 863400 697.4347 2097.5114 1998.7996 119.6360 -205315.2242 17386.8136 0.0000 0.0000 34064.0381 -148950.9908 297.4897 -183015.0289 -148853.2780 299.5724 -56.8652 -24.9166 558755.7683 -3.4327 -3.5376 PRESSURE: 863600 -85.6586 81.2976 183.901 81.2981 9.44155 204.138 183.901 204.139 158.519 GPRESSURE: 863600 -65.2637 35.8763 172.548 14.5054 53.3757 228.764 67.753 117.375 177.707 PRESSAVG: 863600 7.25416 -14.8216 -30.2665 -14.8215 36.0389 -22.8419 -30.2665 -22.8419 -2.57075 GPRESSAVG: 863600 8.21714 -14.1227 -29.0545 -15.0536 35.225 -22.2439 -30.1348 -24.0463 -2.86755 TIMING: 863600 CPU: 2508.07, 0.00290921/step Wall: 2508.07, 0.00290921/step, 3.34268 hours remaining, 205.078125 MB of memory in use. ENERGY: 863600 712.7548 2121.3589 1960.8986 106.0013 -206008.3156 17767.3262 0.0000 0.0000 34410.5237 -148929.4521 300.5157 -183339.9757 -148834.7378 299.6809 27.4340 55.2729 557917.4563 13.5741 13.5249 PRESSURE: 863800 60.7492 -81.6185 3.82442 -81.6189 -144.673 143.254 3.82288 143.253 -122.925 GPRESSURE: 863800 58.805 -107.395 -40.4244 -78.3322 -85.6467 44.2482 -2.23856 98.3763 -78.8969 PRESSAVG: 863800 57.5619 -21.8532 -7.86966 -21.8531 -9.86319 31.2133 -7.86977 31.2133 -34.2005 GPRESSAVG: 863800 56.2618 -21.0439 -8.56096 -22.8646 -7.56545 32.2946 -7.29571 29.6017 -35.1185 TIMING: 863800 CPU: 2508.65, 0.0029109/step Wall: 2508.65, 0.0029109/step, 3.34447 hours remaining, 205.078125 MB of memory in use. ENERGY: 863800 712.5217 2139.1317 1991.7782 111.1812 -205757.7092 17528.1383 0.0000 0.0000 34284.6086 -148990.3495 299.4160 -183274.9582 -148892.9621 299.7610 -68.9496 -35.2462 559395.5938 4.4994 4.5260 PRESSURE: 864000 61.8978 28.5293 57.9161 28.529 -347.369 4.16869 57.9175 4.1687 105.252 GPRESSURE: 864000 114.192 26.1668 77.2833 9.42193 -266.319 -3.7152 15.819 12.6353 71.656 PRESSAVG: 864000 35.4207 8.72443 -27.2429 8.72445 -71.8336 43.2339 -27.2429 43.2338 49.5752 GPRESSAVG: 864000 35.4448 7.12961 -26.9762 9.38253 -73.0432 43.3695 -27.8005 45.1627 50.9388 TIMING: 864000 CPU: 2509.23, 0.00290778/step Wall: 2509.23, 0.00290778/step, 3.34072 hours remaining, 205.078125 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: 864000 753.5877 2109.8721 1978.0171 117.1303 -206236.2069 17809.0219 0.0000 0.0000 34419.5112 -149049.0667 300.5942 -183468.5779 -148954.9293 299.5835 -60.0731 -26.8237 558430.4105 4.3874 4.4468 PRESSURE: 864200 70.0155 93.9271 -97.9991 93.926 -253.874 -11.8831 -98.0009 -11.8843 53.5344 GPRESSURE: 864200 53.1626 32.0703 -56.2617 57.3365 -214.432 27.4715 -85.399 -22.1496 122.409 PRESSAVG: 864200 24.1239 10.3084 19.3463 10.3085 -29.943 20.0353 19.3463 20.0352 -0.681298 GPRESSAVG: 864200 25.0098 11.2343 17.5102 9.5564 -30.8148 19.2245 19.3322 19.6594 -0.414799 TIMING: 864200 CPU: 2509.81, 0.00288646/step Wall: 2509.81, 0.00288646/step, 3.31606 hours remaining, 205.078125 MB of memory in use. ENERGY: 864200 710.8802 2064.8788 1972.6978 118.1155 -205961.8386 17727.4202 0.0000 0.0000 34249.9877 -149117.8584 299.1137 -183367.8461 -149016.9239 299.8981 -43.4414 -12.9535 559124.6649 -2.1668 -2.0733 LDB: ============= START OF LOAD BALANCING ============== 2513.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2513.28 LDB: =============== DONE WITH MIGRATION ================ 2513.28 LDB: ============= START OF LOAD BALANCING ============== 2513.57 LDB: Largest compute 4820 load 0.026611 is 22.6% of average load 0.117692 LDB: Average compute 0.001727 is 1.5% of average load 0.117692 LDB: TIME 2513.58 LOAD: AVG 0.117692 MAX 0.178687 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2513.58 LOAD: AVG 0.117692 MAX 0.178687 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.484 MB LDB: TIME 2513.58 LOAD: AVG 0.117692 MAX 0.178687 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.484 MB LDB: ============== END OF LOAD BALANCING =============== 2513.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2513.58 PRESSURE: 864400 26.4447 5.29107 57.6526 5.29125 -84.8556 -79.0128 57.6526 -79.0129 135.269 GPRESSURE: 864400 62.8154 -57.2991 52.7526 1.56364 -34.9256 -111.807 78.3388 -29.7362 136.189 PRESSAVG: 864400 13.1939 -31.0993 -10.3831 -31.0993 -95.1951 -30.9101 -10.383 -30.91 29.603 GPRESSAVG: 864400 12.3312 -30.9652 -10.3125 -28.0716 -93.8914 -31.9848 -7.42791 -31.168 29.4539 TIMING: 864400 CPU: 2510.41, 0.00297297/step Wall: 2510.41, 0.00297297/step, 3.41528 hours remaining, 204.765625 MB of memory in use. ENERGY: 864400 735.8038 2078.2496 2000.2221 118.4290 -205843.2064 17648.5489 0.0000 0.0000 34381.3243 -148880.6288 300.2607 -183261.9531 -148781.9471 299.7753 25.6194 54.6928 557616.5849 -17.4661 -17.3688 PRESSURE: 864600 154.092 123.808 -64.6315 123.809 97.9137 27.2394 -64.6305 27.2382 -322.246 GPRESSURE: 864600 151.619 102.103 -71.4619 147.211 114.494 -59.7736 -167.363 49.1069 -227.93 PRESSAVG: 864600 51.1102 20.8149 -15.3031 20.815 -40.5247 -27.2398 -15.3031 -27.2396 -2.33566 GPRESSAVG: 864600 51.1122 21.9726 -14.605 17.5332 -41.6552 -27.2827 -16.0866 -25.2092 -1.53961 TIMING: 864600 CPU: 2510.99, 0.0029128/step Wall: 2510.99, 0.0029128/step, 3.346 hours remaining, 204.964844 MB of memory in use. ENERGY: 864600 751.3854 2133.3617 1988.8746 120.8572 -206188.7048 17853.6539 0.0000 0.0000 34575.9903 -148764.5817 301.9607 -183340.5720 -148665.3348 300.4045 -23.4134 12.7280 556723.2485 2.7499 2.6391 PRESSURE: 864800 -122.824 33.19 169.485 33.1912 -160.53 89.7996 169.486 89.7992 56.0089 GPRESSURE: 864800 -120.11 60.6546 169.22 90.2355 -72.7075 26.7232 183.701 82.8462 73.7586 PRESSAVG: 864800 28.1856 20.2413 22.9616 20.2413 -38.3428 5.65733 22.9616 5.65725 38.5674 GPRESSAVG: 864800 28.1212 19.4523 25.0338 20.2548 -38.0312 4.11822 21.1321 3.73222 38.2757 TIMING: 864800 CPU: 2511.57, 0.00289916/step Wall: 2511.57, 0.00289916/step, 3.33017 hours remaining, 204.964844 MB of memory in use. ENERGY: 864800 748.1528 2137.8035 1958.2140 107.5261 -205613.6265 17603.1490 0.0000 0.0000 34303.6647 -148755.1164 299.5824 -183058.7811 -148661.4198 300.8341 -75.7818 -39.6863 557326.4418 9.4701 9.4552 PRESSURE: 865000 40.3542 -18.8199 -252.199 -18.8191 -141.883 21.8743 -252.2 21.875 -94.6646 GPRESSURE: 865000 38.0716 -30.0492 -273.688 -15.5073 -44.6957 4.63426 -175.223 44.895 -73.6993 PRESSAVG: 865000 -9.49189 32.162 36.3293 32.162 -65.1268 42.954 36.3293 42.954 40.5296 GPRESSAVG: 865000 -9.23633 32.9306 33.7167 33.9046 -65.0234 45.1548 37.3949 43.092 40.2463 TIMING: 865000 CPU: 2512.15, 0.0028984/step Wall: 2512.15, 0.0028984/step, 3.32913 hours remaining, 204.964844 MB of memory in use. ENERGY: 865000 756.9796 2127.5040 1990.1617 117.4393 -206133.7364 17778.2455 0.0000 0.0000 34597.3929 -148766.0134 302.1476 -183363.4063 -148667.3115 300.7833 -65.3977 -26.7745 557072.7712 -11.3630 -11.3378 PRESSURE: 865200 318.355 -49.0867 7.73895 -49.0865 -99.0629 -50.0446 7.73859 -50.0431 139.394 GPRESSURE: 865200 327.911 64.7428 1.45287 -129.639 -27.3751 -6.13282 52.5418 -58.7631 169.875 PRESSAVG: 865200 -30.8819 -51.2199 22.5967 -51.2199 -24.1541 2.01004 22.5967 2.01002 59.179 GPRESSAVG: 865200 -31.8013 -52.9431 22.3739 -51.991 -23.5216 2.09549 23.9497 2.16882 59.0323 TIMING: 865200 CPU: 2512.73, 0.00288499/step Wall: 2512.73, 0.00288499/step, 3.31357 hours remaining, 204.964844 MB of memory in use. ENERGY: 865200 702.2319 2127.6780 1973.0637 113.8569 -206326.3622 18151.4179 0.0000 0.0000 34311.2188 -148946.8949 299.6484 -183258.1137 -148847.5294 300.1571 119.5620 156.8037 557772.3915 1.3810 1.2365 PRESSURE: 865400 -118.862 177.279 38.775 177.279 -9.40091 90.347 38.7741 90.3465 -38.8875 GPRESSURE: 865400 -17.5407 206.554 23.136 170.165 10.8039 81.474 0.931464 15.4765 -59.3783 PRESSAVG: 865400 -23.5732 -19.8166 -0.951154 -19.8165 -23.343 18.6429 -0.951118 18.6429 42.2279 GPRESSAVG: 865400 -23.3982 -19.5713 0.822857 -20.1888 -23.5111 17.8962 -2.24131 19.8142 41.8863 TIMING: 865400 CPU: 2513.31, 0.00292038/step Wall: 2513.31, 0.00292038/step, 3.35406 hours remaining, 205.031250 MB of memory in use. ENERGY: 865400 762.1366 2102.8255 1985.4884 106.6450 -205873.7077 17760.3059 0.0000 0.0000 34176.9461 -148979.3600 298.4758 -183156.3061 -148880.9096 300.2085 -55.7167 -22.0383 558500.9156 -1.5628 -1.6744 PRESSURE: 865600 240.19 1.46801 -37.6244 1.46772 37.7078 8.29456 -37.6219 8.29431 136.751 GPRESSURE: 865600 259.969 7.70874 -15.2673 3.17596 74.6041 -34.8957 53.8014 30.4445 170.686 PRESSAVG: 865600 37.3605 -61.718 -15.7099 -61.7181 57.2522 5.79147 -15.7099 5.79152 -47.3658 GPRESSAVG: 865600 38.0438 -60.7629 -13.2599 -62.8091 55.2969 6.03601 -17.6525 5.46503 -46.0531 TIMING: 865600 CPU: 2513.9, 0.00295062/step Wall: 2513.9, 0.00295062/step, 3.38862 hours remaining, 205.031250 MB of memory in use. ENERGY: 865600 754.2217 2099.4515 1996.5127 120.0004 -206709.0628 18210.0905 0.0000 0.0000 34432.9398 -149095.8460 300.7114 -183528.7859 -148993.6941 300.2499 138.2161 168.4197 556834.1478 15.7490 15.7625 PRESSURE: 865800 261.95 -30.1535 135.387 -30.1521 151.118 22.8676 135.386 22.8678 198.727 GPRESSURE: 865800 277.968 15.1838 166.119 -89.993 178.827 -33.1046 91.3316 27.6155 260.544 PRESSAVG: 865800 92.8188 -2.26062 41.1435 -2.26057 -80.4288 -57.1503 41.1434 -57.1503 10.1194 GPRESSAVG: 865800 92.729 -2.40533 41.0757 -1.22296 -79.1279 -56.9163 40.0461 -58.0804 8.97857 TIMING: 865800 CPU: 2514.48, 0.00290234/step Wall: 2514.48, 0.00290234/step, 3.33301 hours remaining, 205.031250 MB of memory in use. ENERGY: 865800 756.4428 2088.4553 1969.6314 110.2065 -206384.3957 18166.8713 0.0000 0.0000 34429.6285 -148863.1598 300.6825 -183292.7883 -148762.7856 300.1097 203.9313 239.1131 556912.0048 7.5031 7.5266 PRESSURE: 866000 -333.388 18.6859 -134.599 18.6854 -101.602 -4.25727 -134.6 -4.25745 -112.066 GPRESSURE: 866000 -353.686 94.0964 -124.765 3.64606 -19.8966 -46.7432 -155.738 -80.0059 -75.8758 PRESSAVG: 866000 -14.585 48.2738 9.04873 48.2739 -4.43724 46.1982 9.04871 46.1982 3.73644 GPRESSAVG: 866000 -14.4594 48.4519 4.52919 47.8521 -4.86213 47.3484 11.893 47.2112 4.16773 TIMING: 866000 CPU: 2515.07, 0.00292854/step Wall: 2515.07, 0.00292854/step, 3.36294 hours remaining, 205.031250 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: 866000 765.1210 2118.7305 1976.5581 113.8567 -205548.7897 17555.3851 0.0000 0.0000 34173.7921 -148845.3462 298.4482 -183019.1383 -148745.9921 300.3053 -182.3520 -149.8195 559507.8764 -5.0953 -5.0513 PRESSURE: 866200 -31.005 330.989 -2.35448 330.989 -173.627 95.5265 -2.3556 95.5269 -105.443 GPRESSURE: 866200 8.74342 333.561 60.3246 274.904 -127.679 83.4704 27.6682 122.922 -95.6545 PRESSAVG: 866200 -6.88191 18.3494 9.59816 18.3495 3.26495 25.437 9.59816 25.437 44.8704 GPRESSAVG: 866200 -6.55984 16.9185 11.6845 18.7599 2.44036 24.1646 8.46685 24.9322 45.4835 TIMING: 866200 CPU: 2515.64, 0.00289216/step Wall: 2515.64, 0.00289216/step, 3.321 hours remaining, 205.089844 MB of memory in use. ENERGY: 866200 753.5265 2098.3911 1959.1806 120.2415 -205833.3394 17626.6350 0.0000 0.0000 34404.3547 -148871.0100 300.4618 -183275.3647 -148770.0086 299.7954 -103.3583 -71.5301 559505.6833 13.7512 13.7880 PRESSURE: 866400 -20.855 -109.781 -102.092 -109.781 163.654 155.44 -102.091 155.438 -179.94 GPRESSURE: 866400 34.2985 -48.8895 -52.9371 -196.717 211.835 91.0678 -64.6209 243.71 -190.605 PRESSAVG: 866400 -7.99671 21.3379 16.8406 21.3379 24.4692 15.2817 16.8406 15.2817 -34.5924 GPRESSAVG: 866400 -8.46946 23.0893 14.8938 20.2594 24.6918 14.7854 16.9655 14.6688 -34.3234 TIMING: 866400 CPU: 2516.22, 0.00288375/step Wall: 2516.22, 0.00288375/step, 3.31119 hours remaining, 205.089844 MB of memory in use. ENERGY: 866400 759.8837 2085.8112 1966.0490 117.0701 -206309.8859 17866.5161 0.0000 0.0000 34575.2746 -148939.2812 301.9545 -183514.5558 -148842.6456 300.3117 -12.3804 18.5095 558580.4545 -6.0400 -6.0337 PRESSURE: 866600 -13.5007 -23.6408 -51.5293 -23.6412 -30.3321 -204.216 -51.5294 -204.215 -357.37 GPRESSURE: 866600 -7.90763 81.5652 -20.347 -132.848 70.1755 -308.052 -77.9645 -189.409 -359.775 PRESSAVG: 866600 26.7216 13.189 -16.9064 13.1889 2.52032 0.135015 -16.9063 0.135122 -51.0974 GPRESSAVG: 866600 26.2878 11.8739 -15.9629 13.0796 3.041 0.0512272 -16.2432 0.920994 -51.3943 TIMING: 866600 CPU: 2516.8, 0.00291714/step Wall: 2516.8, 0.00291714/step, 3.34936 hours remaining, 205.089844 MB of memory in use. ENERGY: 866600 767.7523 2067.0751 1964.3512 117.3981 -205936.0386 17732.3679 0.0000 0.0000 34263.3044 -149023.7895 299.2300 -183287.0939 -148928.9328 298.9526 -133.7342 -99.1691 558404.3234 -7.2851 -7.3552 PRESSURE: 866800 71.3425 50.9812 -48.7625 50.9809 58.9727 185.478 -48.7629 185.479 -36.2508 GPRESSURE: 866800 148.101 33.2982 -28.2228 -30.5256 72.6142 166.017 -17.5715 171.081 -25.0006 PRESSAVG: 866800 -30.7653 -62.5704 11.8949 -62.5704 -6.47415 16.8848 11.8949 16.8849 88.6557 GPRESSAVG: 866800 -30.2897 -61.0891 12.7083 -63.114 -7.21303 16.2103 11.5468 15.8096 88.698 TIMING: 866800 CPU: 2517.39, 0.00294111/step Wall: 2517.39, 0.00294111/step, 3.37672 hours remaining, 205.089844 MB of memory in use. ENERGY: 866800 740.3794 2061.0877 1998.4265 105.2148 -206143.7149 17755.6443 0.0000 0.0000 34473.9528 -149009.0095 301.0696 -183482.9623 -148913.0665 299.6210 31.3548 65.2384 555966.0745 17.1387 17.0651 PRESSURE: 867000 -56.1942 -141.084 79.4102 -141.085 92.3905 -163.899 79.4101 -163.9 231.131 GPRESSURE: 867000 7.15854 -66.0973 60.1807 -133.253 133.583 -74.7688 71.3209 -162.079 220.138 PRESSAVG: 867000 -54.1773 10.7447 9.84423 10.7447 -27.9692 36.3253 9.84424 36.3253 76.0192 GPRESSAVG: 867000 -53.8219 9.17708 10.4347 10.5611 -28.7195 36.7151 9.11565 35.9788 76.6916 TIMING: 867000 CPU: 2517.97, 0.00290758/step Wall: 2517.97, 0.00290758/step, 3.33807 hours remaining, 205.089844 MB of memory in use. ENERGY: 867000 778.1393 2035.8308 1986.9646 110.3328 -206548.4727 17924.8573 0.0000 0.0000 34374.5503 -149337.7975 300.2015 -183712.3479 -149242.2421 299.5992 89.1090 120.2934 555936.0492 -2.0424 -1.9500 PRESSURE: 867200 131.287 37.343 -37.8687 37.344 -45.0786 18.1146 -37.8693 18.116 138.051 GPRESSURE: 867200 148.42 57.7659 -92.6874 -3.21639 -63.8465 70.9922 75.0026 31.1611 244.808 PRESSAVG: 867200 0.187069 -36.4233 39.3269 -36.4232 18.306 -6.57561 39.3268 -6.57549 1.35722 GPRESSAVG: 867200 -0.607453 -35.3752 38.8636 -36.4584 19.1703 -4.83692 40.6007 -6.69885 1.19135 TIMING: 867200 CPU: 2518.55, 0.00288888/step Wall: 2518.55, 0.00288887/step, 3.31643 hours remaining, 205.292969 MB of memory in use. ENERGY: 867200 742.3193 2101.6903 1981.2116 107.0602 -206142.9508 17904.4954 0.0000 0.0000 34063.8937 -149242.2802 297.4885 -183306.1739 -149145.6753 299.5040 74.7532 109.7937 556871.6078 6.6168 6.5847 PRESSURE: 867400 13.8329 55.2681 -100.139 55.2688 -230.243 -47.0315 -100.139 -47.0325 -39.5144 GPRESSURE: 867400 42.359 84.5305 -139.982 110.742 -162.35 7.09089 -112.348 -21.3947 -42.9374 PRESSAVG: 867400 -0.836701 -24.9041 12.7923 -24.9042 -24.1088 60.427 12.7923 60.4269 63.4048 GPRESSAVG: 867400 -1.31219 -25.0461 12.828 -23.4807 -22.6372 59.274 12.9293 61.265 62.1563 TIMING: 867400 CPU: 2519.13, 0.00288572/step Wall: 2519.13, 0.00288572/step, 3.31264 hours remaining, 205.292969 MB of memory in use. ENERGY: 867400 748.1509 2078.8420 1970.5889 128.3751 -206040.3690 17579.9962 0.0000 0.0000 34223.8115 -149310.6044 298.8851 -183534.4160 -149211.8183 298.9663 -85.3083 -54.3094 556507.0953 12.8198 12.7357 PRESSURE: 867600 -119.368 -41.629 -6.92939 -41.6298 -106.522 -90.0286 -6.92857 -90.0278 -39.9641 GPRESSURE: 867600 -81.4556 3.66269 39.7323 -124.513 -75.6064 -83.0773 -49.0646 -112.606 -13.3643 PRESSAVG: 867600 -7.8905 45.6619 -3.45785 45.6619 -43.4266 34.9125 -3.45791 34.9126 66.3822 GPRESSAVG: 867600 -8.06973 43.7101 -2.91697 46.8539 -43.8797 35.015 -2.25408 34.2817 67.5044 TIMING: 867600 CPU: 2519.71, 0.00288837/step Wall: 2519.71, 0.00288837/step, 3.31553 hours remaining, 205.292969 MB of memory in use. ENERGY: 867600 705.1077 2091.1982 1992.4710 118.0739 -206229.5105 17833.7358 0.0000 0.0000 34176.3934 -149312.5307 298.4709 -183488.9240 -149213.5064 298.7093 -88.6177 -56.8088 557972.1182 5.0217 5.1850 PRESSURE: 867800 163.882 15.4558 33.653 15.4549 32.2078 90.0758 33.6533 90.0757 125.944 GPRESSURE: 867800 233.116 30.2789 -6.65343 -84.6776 98.7104 106.833 14.3843 78.5067 86.7404 PRESSAVG: 867800 -6.55905 27.7005 33.4923 27.7004 -34.1894 -11.4163 33.4924 -11.4163 35.5859 GPRESSAVG: 867800 -5.8488 29.1765 31.0571 24.9831 -34.5528 -12.8401 33.5018 -10.4817 35.1687 TIMING: 867800 CPU: 2520.29, 0.00290213/step Wall: 2520.29, 0.00290213/step, 3.33116 hours remaining, 205.292969 MB of memory in use. ENERGY: 867800 752.3665 2044.3449 1979.3935 103.3555 -206190.8863 17873.3257 0.0000 0.0000 34153.6141 -149284.4860 298.2720 -183438.1002 -149192.8217 298.6784 107.3448 139.5224 557489.7504 -1.7208 -1.7443 PRESSURE: 868000 -243.171 144.299 95.0801 144.3 -279.526 79.2286 95.0798 79.2294 -322.981 GPRESSURE: 868000 -215.899 142.117 -0.414497 105.363 -233.263 88.606 40.5423 96.2184 -310.01 PRESSAVG: 868000 -58.2073 41.2423 -10.5426 41.2423 59.3701 43.6557 -10.5427 43.6556 -43.2388 GPRESSAVG: 868000 -58.5557 41.565 -10.9777 41.9479 59.3333 45.4051 -10.679 43.5257 -42.8268 TIMING: 868000 CPU: 2520.87, 0.00290156/step Wall: 2520.87, 0.00290156/step, 3.33035 hours remaining, 205.292969 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: 868000 724.7490 2116.3933 1977.5285 112.6693 -205951.5271 17384.3156 0.0000 0.0000 34231.7126 -149404.1588 298.9541 -183635.8714 -149307.5559 298.7130 -281.8927 -253.0575 558615.5018 -14.0254 -14.0164 PRESSURE: 868200 -219.819 42.0234 -111.648 42.0217 -68.4622 -56.7225 -111.649 -56.7213 -99.6257 GPRESSURE: 868200 -214.389 -40.3613 -72.6106 48.7666 -48.7888 -71.3333 -77.2449 -30.5275 -30.6943 PRESSAVG: 868200 -90.5385 1.50495 -3.01964 1.505 78.9288 21.3379 -3.01963 21.3379 67.2885 GPRESSAVG: 868200 -90.3861 1.45566 -1.44197 0.900417 79.3185 21.8963 -5.43594 20.2939 67.1249 TIMING: 868200 CPU: 2521.45, 0.00291086/step Wall: 2521.45, 0.00291086/step, 3.34086 hours remaining, 205.292969 MB of memory in use. ENERGY: 868200 736.1583 2095.6539 1965.4161 123.3410 -206001.4235 17679.1769 0.0000 0.0000 34070.1112 -149331.5661 297.5428 -183401.6773 -149239.3647 298.1514 -129.3022 -97.9575 558070.2771 18.5596 18.6858 LDB: ============= START OF LOAD BALANCING ============== 2524.92 LDB: ============== END OF LOAD BALANCING =============== 2524.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2524.92 LDB: ============= START OF LOAD BALANCING ============== 2525.21 LDB: Largest compute 4820 load 0.027350 is 23.2% of average load 0.117636 LDB: Average compute 0.001731 is 1.5% of average load 0.117636 LDB: TIME 2525.21 LOAD: AVG 0.117636 MAX 0.176897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2525.21 LOAD: AVG 0.117636 MAX 0.176897 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: TIME 2525.21 LOAD: AVG 0.117636 MAX 0.176897 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.652 MB LDB: ============== END OF LOAD BALANCING =============== 2525.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2525.21 PRESSURE: 868400 -160.611 62.5723 -7.38552 62.5733 -249.847 -0.619138 -7.38558 -0.619273 -25.2406 GPRESSURE: 868400 -185.751 17.2528 -20.7393 91.914 -192.293 -53.6034 -42.1391 67.8877 31.8051 PRESSAVG: 868400 -84.5573 -32.7263 -49.1512 -32.7264 9.12758 -37.7292 -49.1512 -37.7291 71.9806 GPRESSAVG: 868400 -85.6979 -34.4595 -49.3124 -31.4515 8.8108 -38.1442 -47.9341 -37.489 73.4561 TIMING: 868400 CPU: 2522.04, 0.00294718/step Wall: 2522.04, 0.00294718/step, 3.38238 hours remaining, 207.023438 MB of memory in use. ENERGY: 868400 792.3463 2077.5053 1955.6392 100.0645 -205930.7903 17636.9117 0.0000 0.0000 34140.0830 -149228.2404 298.1538 -183368.3233 -149132.8629 298.8662 -145.2329 -115.4132 558190.1599 -1.1497 -1.1437 PRESSURE: 868600 -5.51489 10.6426 99.3408 10.6427 186.52 -114.613 99.3416 -114.613 -32.1051 GPRESSURE: 868600 2.0957 -41.646 49.9669 54.27 207.159 -172.443 123.911 -32.174 31.5651 PRESSAVG: 868600 -43.1138 -31.5619 5.48316 -31.562 -26.7471 31.1995 5.48316 31.1994 66.0781 GPRESSAVG: 868600 -42.7514 -30.0651 4.55604 -32.1905 -27.0143 30.6967 7.87405 33.0518 65.8807 TIMING: 868600 CPU: 2522.62, 0.00288931/step Wall: 2522.62, 0.00288931/step, 3.3158 hours remaining, 207.035156 MB of memory in use. ENERGY: 868600 774.7613 2100.7548 1951.7911 113.8102 -206670.3541 18223.0982 0.0000 0.0000 34244.4564 -149261.6821 299.0654 -183506.1386 -149167.0923 299.9026 49.6332 80.2731 559179.8634 -1.2609 -1.2950 PRESSURE: 868800 -87.4103 -6.5205 -129.211 -6.52091 150.644 157.942 -129.211 157.943 111.752 GPRESSURE: 868800 -106.868 -16.8889 -182.579 3.11163 235.594 44.0926 -92.6856 203.357 138.384 PRESSAVG: 868800 -50.7043 -22.9349 -44.1995 -22.9349 41.8481 54.9487 -44.1995 54.9488 72.4262 GPRESSAVG: 868800 -50.8067 -22.9534 -42.6212 -21.3486 42.2667 54.327 -46.6449 53.5074 71.8028 TIMING: 868800 CPU: 2523.19, 0.00288562/step Wall: 2523.19, 0.00288562/step, 3.31141 hours remaining, 207.246094 MB of memory in use. ENERGY: 868800 731.0869 2077.3822 1973.7249 117.8957 -206677.8743 18199.5163 0.0000 0.0000 34278.8233 -149299.4451 299.3655 -183578.2684 -149201.4043 298.8887 58.3286 89.0364 559832.2253 21.1900 21.0876 PRESSURE: 869000 -7.88569 8.41604 -184.695 8.41504 -122.478 42.5363 -184.695 42.5377 285.961 GPRESSURE: 869000 -19.3076 -16.4906 -166.753 60.1053 -11.9753 60.434 -182.726 114.359 269.328 PRESSAVG: 869000 -20.1588 39.87 -56.1213 39.87 1.61715 72.4104 -56.1214 72.4105 12.0829 GPRESSAVG: 869000 -20.1768 38.5746 -57.4908 38.8156 2.17299 72.5357 -56.756 72.1464 11.6102 TIMING: 869000 CPU: 2523.77, 0.00290074/step Wall: 2523.77, 0.00290074/step, 3.3286 hours remaining, 207.246094 MB of memory in use. ENERGY: 869000 744.7142 2087.1527 1965.7714 126.0750 -206507.8098 18038.4773 0.0000 0.0000 34317.1687 -149228.4505 299.7004 -183545.6192 -149129.9440 298.7869 51.8655 79.3483 559958.9127 -2.1529 -2.1312 PRESSURE: 869200 -62.3077 140.41 -44.2957 140.409 -127.464 149.968 -44.2958 149.967 37.5208 GPRESSURE: 869200 -64.4161 160.402 -5.94814 103.365 -49.5959 104.097 -46.7201 145.236 50.5945 PRESSAVG: 869200 -21.1612 48.3844 -28.1192 48.3844 -17.5926 108.766 -28.1192 108.766 -16.2083 GPRESSAVG: 869200 -21.7686 49.8875 -26.5637 48.676 -16.6506 110.274 -27.6333 108.484 -16.1668 TIMING: 869200 CPU: 2524.35, 0.00288747/step Wall: 2524.35, 0.00288747/step, 3.31322 hours remaining, 207.246094 MB of memory in use. ENERGY: 869200 741.6146 2091.4427 1956.5951 115.4294 -205897.5607 17721.1898 0.0000 0.0000 34184.2513 -149087.0378 298.5396 -183271.2892 -148990.9920 299.0458 -50.7505 -21.1392 558401.5927 -18.3207 -18.1953 PRESSURE: 869400 55.9021 -103.645 -16.4246 -103.645 192.308 -39.7957 -16.4249 -39.7964 -186.667 GPRESSURE: 869400 68.6467 -117.037 -6.11433 -46.3118 229.684 -93.5799 -26.2179 -36.4993 -148.69 PRESSAVG: 869400 -24.7281 11.3361 8.19141 11.336 -6.46829 28.237 8.19139 28.237 36.0441 GPRESSAVG: 869400 -23.5329 11.1177 8.48727 10.3455 -6.58163 26.474 9.24218 29.3764 34.903 TIMING: 869400 CPU: 2524.93, 0.00288851/step Wall: 2524.93, 0.00288851/step, 3.31424 hours remaining, 207.246094 MB of memory in use. ENERGY: 869400 718.2323 2079.8494 1974.9959 115.1892 -205776.6580 17616.8960 0.0000 0.0000 34277.2713 -148994.2240 299.3519 -183271.4953 -148897.4723 299.0734 20.5142 49.8801 558225.0603 1.6159 1.5962 PRESSURE: 869600 -501.512 -143.635 -135.547 -143.633 -331.221 -1.57947 -135.547 -1.57852 124.233 GPRESSURE: 869600 -463.215 -140.167 -138.917 -177.587 -265.832 55.8107 -114.279 -76.0907 119.197 PRESSAVG: 869600 -31.2255 -46.9414 -9.89384 -46.9414 31.3412 27.9733 -9.89394 27.9733 -15.282 GPRESSAVG: 869600 -33.2501 -48.9846 -10.3476 -46.1388 31.6075 27.8376 -10.7958 28.0898 -13.0162 TIMING: 869600 CPU: 2525.51, 0.00289002/step Wall: 2525.51, 0.00289002/step, 3.31581 hours remaining, 207.246094 MB of memory in use. ENERGY: 869600 747.7459 2072.6124 1961.4281 110.8487 -205364.5978 17291.2462 0.0000 0.0000 34388.8603 -148791.8562 300.3265 -183180.7165 -148697.9630 299.9339 -236.1669 -203.2836 557609.9766 -5.0554 -4.8863 PRESSURE: 869800 81.1646 121.891 -59.0509 121.892 289.366 -107.363 -59.0495 -107.364 -215.557 GPRESSURE: 869800 176.855 134.269 50.0015 76.1432 231.401 -126.602 -75.4127 -114.54 -149.605 PRESSAVG: 869800 12.605 -19.6895 -32.2063 -19.6894 0.14331 -25.0102 -32.2063 -25.0103 47.0899 GPRESSAVG: 869800 13.9847 -17.9787 -32.1349 -19.4467 -1.32349 -24.2664 -31.7964 -25.0639 47.6158 TIMING: 869800 CPU: 2526.08, 0.00287637/step Wall: 2526.08, 0.00287637/step, 3.3 hours remaining, 207.246094 MB of memory in use. ENERGY: 869800 760.1453 2094.6185 1976.8576 121.9470 -206019.5463 17682.1243 0.0000 0.0000 34340.9838 -149042.8697 299.9084 -183383.8535 -148948.1215 299.5905 51.6579 86.2166 556670.7887 19.9460 20.0923 PRESSURE: 870000 -235.051 83.8473 -38.7233 83.8481 -119.83 119.373 -38.7236 119.371 -160.954 GPRESSURE: 870000 -184.923 146.963 69.7393 27.6682 -84.7529 98.9167 -134.306 122.511 -161.527 PRESSAVG: 870000 -34.1947 60.8532 -35.2021 60.8533 15.6503 35.4958 -35.2021 35.4958 26.3667 GPRESSAVG: 870000 -34.0337 59.6193 -34.5082 63.0706 16.4673 34.548 -35.4254 35.4379 25.3068 TIMING: 870000 CPU: 2526.66, 0.00290985/step Wall: 2526.66, 0.00290985/step, 3.33824 hours remaining, 207.246094 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: 870000 757.8023 2089.5496 1955.3331 115.8330 -205856.5018 17643.2236 0.0000 0.0000 34332.5875 -148962.1727 299.8350 -183294.7602 -148865.9094 299.6307 -171.9448 -143.7343 557818.7234 2.6074 2.5801 PRESSURE: 870200 -251.552 14.0975 -167.95 14.0974 -288.135 -6.75272 -167.949 -6.75254 -321.913 GPRESSURE: 870200 -225.282 32.4249 -116.059 -20.3134 -292.471 -61.8752 -167.953 -21.1412 -250.108 PRESSAVG: 870200 -32.6688 -5.3066 5.59225 -5.30654 -37.6143 -41.5851 5.59222 -41.5851 47.5397 GPRESSAVG: 870200 -34.4569 -5.18032 5.25315 -8.15731 -36.3022 -40.569 5.32544 -41.3775 48.2794 TIMING: 870200 CPU: 2527.25, 0.00292187/step Wall: 2527.25, 0.00292187/step, 3.35188 hours remaining, 207.246094 MB of memory in use. ENERGY: 870200 766.8708 2096.8441 1956.5571 103.7314 -205803.4866 17406.3260 0.0000 0.0000 34316.2845 -149156.8727 299.6926 -183473.1572 -149059.9301 300.1526 -287.2001 -255.9536 557571.6092 -7.5811 -7.4932 PRESSURE: 870400 107.409 -57.6759 -19.6676 -57.6757 119.158 157.274 -19.6666 157.275 358.34 GPRESSURE: 870400 130.602 -22.8138 33.6753 -15.8114 172.907 104.065 -66.4373 215.306 373.434 PRESSAVG: 870400 4.80462 26.1565 10.5898 26.1564 -25.0263 -35.1351 10.5899 -35.1349 23.3333 GPRESSAVG: 870400 4.94197 27.7555 9.38143 25.1199 -25.9829 -35.9293 10.2927 -35.7316 24.2246 TIMING: 870400 CPU: 2527.83, 0.00288969/step Wall: 2527.83, 0.00288969/step, 3.31479 hours remaining, 207.246094 MB of memory in use. ENERGY: 870400 730.1886 2059.8647 1963.9563 113.3453 -206446.1461 18010.7500 0.0000 0.0000 34532.2958 -149035.7453 301.5791 -183568.0412 -148934.2663 299.8537 194.9693 225.6477 555919.2679 1.0372 1.0612 PRESSURE: 870600 303.485 127.617 272.094 127.615 -53.1758 -47.6738 272.094 -47.6752 27.1598 GPRESSURE: 870600 330.312 123.07 241.031 207.401 -32.2281 -39.2957 286.292 -36.2906 72.4964 PRESSAVG: 870600 10.6159 -7.80809 19.8011 -7.80804 21.0457 9.92741 19.8011 9.92736 -58.3718 GPRESSAVG: 870600 11.1082 -7.39451 19.1446 -7.37403 21.0977 11.7176 22.367 7.52017 -59.1066 TIMING: 870600 CPU: 2528.41, 0.00289702/step Wall: 2528.41, 0.00289702/step, 3.32304 hours remaining, 207.246094 MB of memory in use. ENERGY: 870600 721.1142 2109.4694 1988.4445 119.8455 -206531.1868 18103.8265 0.0000 0.0000 34325.3603 -149163.1263 299.7719 -183488.4866 -149072.5605 299.3941 92.4897 123.5266 557913.0529 -8.9034 -8.9669 PRESSURE: 870800 -25.727 96.6127 42.8646 96.6129 121.481 -75.6534 42.8637 -75.6538 -311.97 GPRESSURE: 870800 -23.2262 65.3248 96.426 56.1382 103.331 -34.9275 89.7019 -70.6521 -203.565 PRESSAVG: 870800 -13.6784 33.0386 48.7061 33.0385 0.600342 -16.4461 48.7062 -16.446 26.3776 GPRESSAVG: 870800 -12.7813 30.6845 50.8217 33.2767 0.837771 -16.3802 46.5065 -15.1982 25.2723 TIMING: 870800 CPU: 2528.99, 0.00290837/step Wall: 2528.99, 0.00290837/step, 3.3359 hours remaining, 207.246094 MB of memory in use. ENERGY: 870800 767.8860 2123.2460 1971.3696 120.4779 -206291.3951 17831.4551 0.0000 0.0000 34306.9093 -149170.0512 299.6108 -183476.9605 -149076.8475 299.7197 -72.0718 -41.1532 557360.9583 4.4332 4.4429 PRESSURE: 871000 135.002 -17.9598 37.052 -17.9599 674.706 -7.56878 37.0518 -7.57151 307.09 GPRESSURE: 871000 234.136 -6.83323 59.722 -44.2096 671.173 62.7898 12.5438 -13.8014 303.173 PRESSAVG: 871000 -2.08159 -26.576 -28.1053 -26.576 79.4283 -32.1921 -28.1053 -32.192 -83.817 GPRESSAVG: 871000 -2.87296 -25.9123 -29.8179 -26.175 79.526 -33.3699 -27.4776 -33.4347 -83.1934 TIMING: 871000 CPU: 2529.57, 0.00288896/step Wall: 2529.57, 0.00288896/step, 3.31348 hours remaining, 207.246094 MB of memory in use. ENERGY: 871000 754.5997 2145.5672 1984.2015 107.4364 -207051.2686 18458.8755 0.0000 0.0000 34311.5759 -149289.0125 299.6515 -183600.5885 -149190.4629 299.5771 372.2662 402.8273 556254.3305 -2.1567 -2.1801 PRESSURE: 871200 238.726 219.149 10.833 219.15 480.744 -15.7191 10.8336 -15.7204 212.038 GPRESSURE: 871200 225.415 298.115 81.6512 157.062 497.962 -26.1897 -29.4869 -33.1905 297.611 PRESSAVG: 871200 13.0205 55.0854 32.9001 55.0854 30.5821 22.2494 32.9001 22.2494 -21.1024 GPRESSAVG: 871200 14.3528 55.9927 34.0186 56.4137 29.714 21.7492 31.898 23.7639 -22.1939 TIMING: 871200 CPU: 2530.14, 0.00288566/step Wall: 2530.14, 0.00288566/step, 3.30953 hours remaining, 207.246094 MB of memory in use. ENERGY: 871200 730.9271 2119.5422 1992.3057 108.0036 -206836.1586 18222.5085 0.0000 0.0000 34381.8193 -149281.0522 300.2650 -183662.8715 -149186.6830 299.1830 310.5023 340.3295 556416.4514 7.5001 7.2910 PRESSURE: 871400 -4.6711 -1.78807 -9.01565 -1.78733 65.0643 46.117 -9.01544 46.1175 -144.59 GPRESSURE: 871400 21.1696 38.6202 -99.9753 -9.96867 48.5708 108.72 -45.3425 2.42848 -58.0033 PRESSAVG: 871400 -90.4569 -0.880165 28.3893 -0.880171 80.154 32.6194 28.3894 32.6194 -11.8908 GPRESSAVG: 871400 -91.8072 -1.59746 26.6813 -2.49172 81.4809 32.5503 28.6489 32.946 -11.8567 TIMING: 871400 CPU: 2530.72, 0.00288566/step Wall: 2530.72, 0.00288566/step, 3.30938 hours remaining, 207.246094 MB of memory in use. ENERGY: 871400 787.6121 2151.3447 1975.2990 119.5971 -206449.3798 17996.7549 0.0000 0.0000 34234.8157 -149183.9565 298.9812 -183418.7722 -149080.8347 299.3747 -28.0656 3.9124 558473.4463 -7.3979 -7.3943 PRESSURE: 871600 -138.163 -18.4054 34.6001 -18.405 -92.8628 -151.737 34.6004 -151.737 -243.143 GPRESSURE: 871600 -84.3237 39.3485 57.8401 -26.8219 -38.8218 -20.7552 48.7296 -111.987 -252.382 PRESSAVG: 871600 6.97412 -23.31 10.6317 -23.31 -1.85389 14.8297 10.6316 14.8298 -42.7462 GPRESSAVG: 871600 7.19471 -22.9596 12.0801 -20.1676 -2.91609 16.2269 10.0225 14.4555 -41.2744 TIMING: 871600 CPU: 2531.3, 0.00289819/step Wall: 2531.3, 0.00289819/step, 3.32358 hours remaining, 207.246094 MB of memory in use. ENERGY: 871600 746.4407 2110.5623 1967.0019 99.5245 -206356.9430 17793.7846 0.0000 0.0000 34570.7424 -149068.8865 301.9149 -183639.6289 -148975.1785 299.1859 -158.0563 -125.1758 558351.8113 -12.5420 -12.3319 PRESSURE: 871800 105.995 68.1879 100.42 68.1871 167.421 33.6972 100.419 33.6973 401.052 GPRESSURE: 871800 132.566 -34.7509 73.3462 91.6072 184.296 135.722 62.7778 3.74161 459.241 PRESSAVG: 871800 -56.4177 32.2358 24.411 32.2357 31.9468 -72.4491 24.411 -72.449 43.8687 GPRESSAVG: 871800 -56.3349 31.7526 23.4234 30.6559 32.953 -70.1969 23.6335 -74.3821 43.2318 TIMING: 871800 CPU: 2531.88, 0.00287894/step Wall: 2531.88, 0.00287894/step, 3.30134 hours remaining, 207.246094 MB of memory in use. ENERGY: 871800 764.1135 2200.6885 1942.7423 110.8596 -206700.2598 18184.4405 0.0000 0.0000 34377.7672 -149119.6480 300.2296 -183497.4153 -149030.0197 299.6771 224.8226 258.7012 555933.8294 6.4660 6.6166 PRESSURE: 872000 43.3894 -27.1498 168.132 -27.1491 -57.9417 58.6007 168.132 58.5998 -125.379 GPRESSURE: 872000 94.1452 14.1291 199.32 -105.951 -21.1799 57.014 142.263 59.4765 -118.997 PRESSAVG: 872000 -29.7588 12.7448 10.5953 12.7449 36.3032 -15.8478 10.5953 -15.8479 35.5312 GPRESSAVG: 872000 -30.3101 13.8503 12.101 12.6421 35.3629 -21.0493 11.0676 -12.0687 37.2633 TIMING: 872000 CPU: 2532.46, 0.00290185/step Wall: 2532.46, 0.00290185/step, 3.32745 hours remaining, 207.246094 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: 872000 735.8869 2120.6025 1939.0255 99.0691 -205730.0007 17548.8225 0.0000 0.0000 34260.4693 -149026.1249 299.2052 -183286.5942 -148930.3566 299.9596 -46.6436 -15.3438 557027.2074 14.0252 14.1054 PRESSURE: 872200 -7.65607 -63.7355 26.0549 -63.7358 -26.3029 -79.8931 26.0562 -79.8924 53.4282 GPRESSURE: 872200 36.087 18.373 -20.4563 -116.538 70.0573 -79.151 -15.6199 -42.5624 11.5823 PRESSAVG: 872200 -49.8403 4.73229 18.938 4.73234 8.17624 -15.0466 18.9379 -15.0464 49.6189 GPRESSAVG: 872200 -50.0996 2.47243 17.0883 5.5276 9.28026 -14.0023 18.535 -16.4324 48.4242 TIMING: 872200 CPU: 2533.04, 0.00290652/step Wall: 2533.04, 0.00290652/step, 3.33264 hours remaining, 207.246094 MB of memory in use. ENERGY: 872200 755.6569 2100.9411 1988.8078 127.9611 -205911.2122 17673.6381 0.0000 0.0000 34294.2226 -148969.9845 299.5000 -183264.2071 -148872.9280 300.1085 6.4897 39.2422 557795.4808 2.6516 2.5349 LDB: ============= START OF LOAD BALANCING ============== 2536.5 LDB: ============== END OF LOAD BALANCING =============== 2536.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2536.51 LDB: ============= START OF LOAD BALANCING ============== 2536.79 LDB: Largest compute 4820 load 0.027981 is 23.8% of average load 0.117587 LDB: Average compute 0.001735 is 1.5% of average load 0.117587 LDB: TIME 2536.8 LOAD: AVG 0.117587 MAX 0.17734 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.168 MB LDB: TIME 2536.8 LOAD: AVG 0.117587 MAX 0.17734 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.172 MB LDB: TIME 2536.8 LOAD: AVG 0.117587 MAX 0.17734 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2536.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2536.8 PRESSURE: 872400 -212.599 -61.6133 94.0737 -61.6126 -92.1616 -108.492 94.0753 -108.492 -127.424 GPRESSURE: 872400 -224.938 22.3221 74.4285 -148.123 -64.9102 -78.4344 75.5729 -89.746 -45.83 PRESSAVG: 872400 -23.3022 -64.4413 0.952379 -64.4414 -50.487 14.9949 0.952417 14.9948 60.0041 GPRESSAVG: 872400 -21.9326 -63.0971 1.31008 -66.3399 -51.5984 14.9077 2.54103 14.104 60.112 TIMING: 872400 CPU: 2533.63, 0.00295381/step Wall: 2533.63, 0.00295381/step, 3.38671 hours remaining, 205.218750 MB of memory in use. ENERGY: 872400 752.1850 2138.0628 1971.6098 117.3521 -205721.8115 17444.5595 0.0000 0.0000 34277.7906 -149020.2517 299.3565 -183298.0423 -148918.0538 299.7697 -144.0613 -111.8927 558965.3936 -4.5950 -4.4730 PRESSURE: 872600 -126.628 6.04985 -81.2272 6.04954 -128.823 -93.613 -81.2277 -93.6138 -178.815 GPRESSURE: 872600 -137.242 -20.3123 -75.95 -14.2311 -62.5861 -147.536 -28.3359 -121.26 -149.686 PRESSAVG: 872600 -43.3147 17.0091 30.4063 17.0092 21.264 -19.1548 30.4063 -19.1547 6.72865 GPRESSAVG: 872600 -43.921 16.4973 29.5461 18.8233 20.9983 -17.8561 31.1283 -20.1339 7.58051 TIMING: 872600 CPU: 2534.21, 0.00291546/step Wall: 2534.21, 0.00291546/step, 3.34257 hours remaining, 205.355469 MB of memory in use. ENERGY: 872600 729.1849 2141.1733 1958.5996 116.0916 -205975.1273 17501.2162 0.0000 0.0000 34424.9827 -149103.8789 300.6419 -183528.8616 -149004.9134 300.5436 -144.7553 -116.5049 557931.5562 -5.1073 -5.1141 PRESSURE: 872800 14.2567 -174.649 -7.76784 -174.649 -108.903 -214.033 -7.76743 -214.034 6.27315 GPRESSURE: 872800 11.9353 -131.529 -50.822 -206.334 -109.189 -261.319 16.0996 -198.276 120.849 PRESSAVG: 872800 -50.0663 -47.3413 -16.5145 -47.3413 -34.3225 -22.2789 -16.5145 -22.2789 114.801 GPRESSAVG: 872800 -48.8197 -47.6718 -16.9943 -48.498 -33.7049 -23.5984 -17.9836 -21.6492 113.484 TIMING: 872800 CPU: 2534.79, 0.00288648/step Wall: 2534.79, 0.00288648/step, 3.30918 hours remaining, 205.355469 MB of memory in use. ENERGY: 872800 757.6472 2161.5532 1969.9675 108.2828 -206298.1128 17940.7091 0.0000 0.0000 34234.0164 -149125.9367 298.9742 -183359.9530 -149027.2483 299.4071 -29.4576 7.8650 556677.2493 10.1373 10.3199 PRESSURE: 873000 85.5094 -113.47 20.8747 -113.471 178.27 -29.464 20.8759 -29.4639 -154.662 GPRESSURE: 873000 122.305 -102.139 -60.8182 -29.4805 190.46 -63.496 89.6847 -45.6406 -108.476 PRESSAVG: 873000 -0.824327 -28.2234 4.30277 -28.2234 -12.5731 -6.96483 4.30272 -6.96485 42.1305 GPRESSAVG: 873000 -2.67978 -28.1942 5.04189 -27.3378 -11.4739 -5.05776 5.42605 -7.06147 42.3551 TIMING: 873000 CPU: 2535.37, 0.00289805/step Wall: 2535.37, 0.00289805/step, 3.32229 hours remaining, 205.355469 MB of memory in use. ENERGY: 873000 757.7983 2062.8266 1973.6403 111.8673 -206136.6200 17902.0385 0.0000 0.0000 34190.8951 -149137.5539 298.5976 -183328.4490 -149032.4129 299.1677 36.3724 68.0962 555973.3144 9.5777 9.4005 PRESSURE: 873200 -141.21 -121.472 160.128 -121.471 -96.544 -54.9651 160.128 -54.9682 -45.0196 GPRESSURE: 873200 -99.3813 -75.1709 120.32 -103.64 -57.6181 28.3654 178.255 -116.883 -20.7345 PRESSAVG: 873200 23.1946 -17.6486 -6.89267 -17.6486 -33.0715 8.52535 -6.89258 8.52527 -19.1033 GPRESSAVG: 873200 23.3112 -15.7624 -6.89606 -17.8144 -33.8922 5.85296 -7.11113 10.5358 -18.7303 TIMING: 873200 CPU: 2535.95, 0.00290723/step Wall: 2535.95, 0.00290723/step, 3.33265 hours remaining, 205.355469 MB of memory in use. ENERGY: 873200 744.6346 2083.7926 1982.6370 131.9065 -205997.3938 17714.7438 0.0000 0.0000 34231.0760 -149108.6033 298.9485 -183339.6793 -149001.7068 299.1634 -94.2579 -59.2446 556508.3148 -9.6601 -9.7704 PRESSURE: 873400 100.654 -68.7678 102.827 -68.7681 -109.041 -60.7535 102.827 -60.754 -47.1273 GPRESSURE: 873400 195.239 -51.274 74.2188 -57.9028 -88.0773 -48.4998 40.8654 -8.15619 -63.7646 PRESSAVG: 873400 -30.3124 11.5339 47.3992 11.5338 75.5011 -0.786934 47.3992 -0.786944 6.82657 GPRESSAVG: 873400 -29.9791 9.55522 47.1982 11.8116 75.2917 0.194098 46.8661 -2.20293 6.38971 TIMING: 873400 CPU: 2536.53, 0.00289691/step Wall: 2536.53, 0.00289691/step, 3.32066 hours remaining, 205.355469 MB of memory in use. ENERGY: 873400 723.3747 2110.9695 1940.6219 109.2031 -206281.3581 17940.6837 0.0000 0.0000 34404.9469 -149051.5583 300.4670 -183456.5052 -148957.5558 300.1790 -18.5048 14.4656 557600.5231 17.3384 17.2341 PRESSURE: 873600 80.982 106.688 -187.578 106.689 -143.994 -33.6086 -187.579 -33.6073 -115.252 GPRESSURE: 873600 65.7731 87.7536 -287.111 107.867 -53.7753 10.3788 -172.416 -11.9588 -83.5115 PRESSAVG: 873600 -22.9502 -1.11162 -54.4483 -1.11165 43.8958 4.02695 -54.4483 4.02691 -39.7898 GPRESSAVG: 873600 -23.1705 0.517262 -54.0667 -2.74327 44.1964 5.09237 -53.5143 3.38143 -39.7847 TIMING: 873600 CPU: 2537.11, 0.00290277/step Wall: 2537.11, 0.00290277/step, 3.32722 hours remaining, 205.355469 MB of memory in use. ENERGY: 873600 737.2111 2143.5754 1954.8610 100.7145 -205916.6824 17591.3643 0.0000 0.0000 34268.4071 -149120.5489 299.2745 -183388.9561 -149028.1423 299.9036 -59.4214 -23.8379 556393.3781 -6.2814 -6.2530 PRESSURE: 873800 -215.083 -120.069 -131.89 -120.069 34.8632 -24.5469 -131.891 -24.5474 -101.347 GPRESSURE: 873800 -145.557 -101.906 -158.681 -144.999 33.7872 -115.147 -79.5421 10.5175 -60.2465 PRESSAVG: 873800 -83.6825 -15.7901 -38.053 -15.7902 95.2451 -46.4081 -38.053 -46.4081 -21.8858 GPRESSAVG: 873800 -83.0899 -17.4363 -37.6011 -14.3721 95.5073 -45.4109 -38.4031 -47.6776 -22.5712 TIMING: 873800 CPU: 2537.69, 0.00290904/step Wall: 2537.69, 0.00290904/step, 3.33425 hours remaining, 205.355469 MB of memory in use. ENERGY: 873800 755.5691 2050.7604 1942.2570 121.4244 -205684.7501 17589.1578 0.0000 0.0000 34266.7930 -148958.7884 299.2604 -183225.5814 -148859.2125 299.4965 -93.8557 -57.3388 556866.7046 -3.4411 -3.3846 PRESSURE: 874000 -111.145 -40.1764 -28.2386 -40.177 -119.21 -113.073 -28.238 -113.073 -294.842 GPRESSURE: 874000 -60.0465 -115.969 -32.8957 41.2882 -55.2349 -122.114 -112.379 -131.79 -323.153 PRESSAVG: 874000 48.7127 -61.9767 25.919 -61.9766 52.0281 -16.8482 25.9189 -16.8482 -45.8067 GPRESSAVG: 874000 47.1129 -60.7733 22.769 -63.1885 51.9022 -17.017 27.6034 -13.413 -43.8131 TIMING: 874000 CPU: 2538.27, 0.00288655/step Wall: 2538.27, 0.00288655/step, 3.3083 hours remaining, 205.484375 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: 874000 734.9399 2057.2284 1983.2092 112.5213 -205451.5805 17494.6755 0.0000 0.0000 34253.5926 -148815.4136 299.1451 -183069.0062 -148720.8243 300.6651 -175.0655 -146.1447 558365.0211 18.3113 18.4007 PRESSURE: 874200 -15.3417 -53.4444 1.61574 -53.4452 -26.9472 -21.4702 1.61522 -21.4696 194.058 GPRESSURE: 874200 -30.3332 -77.0924 46.9206 -159.532 41.9691 8.91277 10.1392 -53.1792 230.844 PRESSAVG: 874200 -31.96 49.1646 -47.406 49.1646 37.3881 -13.3928 -47.4061 -13.3928 3.34522 GPRESSAVG: 874200 -32.1087 48.951 -45.2814 50.4796 38.7727 -14.1995 -52.1652 -16.1023 1.92998 TIMING: 874200 CPU: 2538.85, 0.00293151/step Wall: 2538.85, 0.0029315/step, 3.35967 hours remaining, 205.484375 MB of memory in use. ENERGY: 874200 712.1535 2097.4276 1978.1760 109.9679 -205879.3725 17817.0582 0.0000 0.0000 34252.2527 -148912.3367 299.1334 -183164.5894 -148823.2408 300.0756 50.5895 80.8266 558207.4638 2.9244 2.8647 PRESSURE: 874400 -174.79 12.3452 45.5707 12.3457 -10.2491 98.3045 45.5704 98.3034 -76.2155 GPRESSURE: 874400 -104.119 59.1662 29.8444 -30.6301 8.45129 121.127 55.856 75.3096 -70.7848 PRESSAVG: 874400 59.0291 18.6647 -43.669 18.6647 -9.76189 -47.0827 -43.6689 -47.0826 -54.8048 GPRESSAVG: 874400 58.8504 19.6125 -42.9814 17.2564 -9.42895 -46.5768 -41.1681 -46.792 -54.9894 TIMING: 874400 CPU: 2539.43, 0.00288195/step Wall: 2539.43, 0.00288195/step, 3.30272 hours remaining, 205.484375 MB of memory in use. ENERGY: 874400 711.1621 2175.8947 1954.4127 106.8056 -205736.6436 17424.8130 0.0000 0.0000 34479.9578 -148883.5977 301.1220 -183363.5555 -148795.8513 300.8121 -87.0850 -55.4842 557222.6592 -1.8459 -1.8560 PRESSURE: 874600 -48.4601 -135.986 -127.863 -135.986 -170.314 5.29408 -127.863 5.29373 -429.979 GPRESSURE: 874600 -37.9626 -103.573 -2.35058 -162.188 -102.306 -40.245 -217.134 14.6419 -412.852 PRESSAVG: 874600 52.2853 -2.8994 26.5728 -2.89934 40.6548 -10.5163 26.5728 -10.5164 -79.9798 GPRESSAVG: 874600 52.6726 -2.18207 25.9322 -1.19644 39.454 -10.8573 26.2948 -9.13248 -78.9658 TIMING: 874600 CPU: 2540.01, 0.00290105/step Wall: 2540.01, 0.00290105/step, 3.32444 hours remaining, 205.484375 MB of memory in use. ENERGY: 874600 749.1462 2118.6591 1972.5259 103.3867 -205601.0655 17464.5660 0.0000 0.0000 34202.8468 -148989.9347 298.7020 -183192.7815 -148891.1958 299.8718 -216.2511 -184.3737 558808.8618 4.3201 4.3869 PRESSURE: 874800 -120.526 -31.0783 -167.606 -31.0791 -216.48 180.989 -167.607 180.989 -331.188 GPRESSURE: 874800 -63.2782 -25.2916 -207.177 34.0002 -226.538 215.717 -171.118 190.223 -284.46 PRESSAVG: 874800 26.2927 -31.2873 -10.6845 -31.2872 21.2208 12.5863 -10.6845 12.5862 -25.043 GPRESSAVG: 874800 27.3083 -30.1396 -8.80976 -32.4511 20.7558 9.80874 -12.9458 14.1548 -25.2612 TIMING: 874800 CPU: 2540.59, 0.00289754/step Wall: 2540.59, 0.00289754/step, 3.32026 hours remaining, 205.484375 MB of memory in use. ENERGY: 874800 795.5086 2070.3270 1945.1410 117.3877 -206066.9145 17689.1170 0.0000 0.0000 34310.1730 -149139.2601 299.6393 -183449.4331 -149036.7407 299.6680 -222.7313 -191.4253 558083.9883 7.4902 7.6009 PRESSURE: 875000 -112.519 -81.0872 -148.33 -81.088 -230.751 -89.1871 -148.333 -89.1868 -87.0081 GPRESSURE: 875000 -72.2036 -119.464 -183.618 -68.9441 -202.923 -125.284 -162.889 -104.061 -73.1032 PRESSAVG: 875000 -7.8477 -26.7038 18.3116 -26.7038 -42.7055 -34.8942 18.3116 -34.8942 28.1891 GPRESSAVG: 875000 -9.48313 -28.1023 14.2743 -26.2922 -41.8523 -34.4393 19.1073 -36.8336 28.6486 TIMING: 875000 CPU: 2541.17, 0.00287948/step Wall: 2541.17, 0.00287948/step, 3.29941 hours remaining, 205.484375 MB of memory in use. ENERGY: 875000 771.4128 2069.0235 1972.1573 117.1424 -206243.7294 17912.2565 0.0000 0.0000 34402.8388 -148998.8980 300.4485 -183401.7369 -148906.2467 299.6876 -143.4260 -116.0765 559441.8135 -7.4547 -7.5623 PRESSURE: 875200 193.314 40.0679 33.761 40.0667 220.685 -16.1365 33.7617 -16.1353 -141.306 GPRESSURE: 875200 248.612 39.6692 83.5763 44.6007 252.885 -51.4312 27.1858 38.349 -124.409 PRESSAVG: 875200 22.2301 -0.0278295 22.1013 -0.027741 71.4121 -2.1534 22.1013 -2.15344 -44.0606 GPRESSAVG: 875200 22.9819 1.72496 23.8908 -1.79734 70.6864 -0.813617 23.7543 -3.04554 -44.4449 TIMING: 875200 CPU: 2541.74, 0.00288828/step Wall: 2541.74, 0.00288828/step, 3.30932 hours remaining, 205.484375 MB of memory in use. ENERGY: 875200 740.0244 2093.8778 1972.2180 121.2891 -206153.1851 17861.3972 0.0000 0.0000 34310.7014 -149053.6772 299.6439 -183364.3786 -148957.8220 300.0784 90.8976 125.6961 556581.2643 16.5272 16.4078 PRESSURE: 875400 -193.158 105.852 110.872 105.851 110.748 28.6336 110.872 28.635 -129.739 GPRESSURE: 875400 -155.427 117.483 114.055 21.4938 111.74 52.8157 141.376 -2.98669 -75.4904 PRESSAVG: 875400 23.3712 -20.7232 60.8138 -20.7232 -22.532 -0.999981 60.8138 -1.00001 15.7504 GPRESSAVG: 875400 24.1242 -23.0295 62.1148 -18.8529 -23.0504 1.58835 60.5079 -0.800666 15.5222 TIMING: 875400 CPU: 2542.32, 0.00290213/step Wall: 2542.32, 0.00290213/step, 3.32503 hours remaining, 205.484375 MB of memory in use. ENERGY: 875400 757.5274 2042.6160 1974.4786 114.7333 -206143.1012 17680.9281 0.0000 0.0000 34507.6915 -149065.1263 301.3643 -183572.8178 -148968.3850 299.0977 -70.7162 -39.7260 557723.3677 5.5299 5.5320 PRESSURE: 875600 245.386 55.8147 38.583 55.8142 271.635 -107.098 38.5828 -107.098 -57.535 GPRESSURE: 875600 301.012 151.953 79.5099 -8.59294 324.485 -74.5224 -28.4762 -161.664 -56.7952 PRESSAVG: 875600 22.8442 -43.0779 30.7393 -43.0778 19.5652 -19.8707 30.7392 -19.8709 -51.0977 GPRESSAVG: 875600 21.7025 -40.4599 30.3529 -42.5479 21.0791 -18.6217 30.907 -20.4949 -50.9657 TIMING: 875600 CPU: 2542.91, 0.00291895/step Wall: 2542.91, 0.00291895/step, 3.34414 hours remaining, 205.484375 MB of memory in use. ENERGY: 875600 748.8440 2093.1497 1976.8631 115.2684 -206485.7245 18070.8518 0.0000 0.0000 34442.1257 -149038.6218 300.7917 -183480.7475 -148954.1140 298.7196 153.1621 189.5675 557735.6889 -2.8961 -2.7280 PRESSURE: 875800 361.093 9.48721 -16.1322 9.48778 -14.5079 -81.6035 -16.1318 -81.6032 253.725 GPRESSURE: 875800 428.113 18.7788 -19.1345 19.3199 -25.6718 -183.632 50.9757 21.0957 295.867 PRESSAVG: 875800 3.97947 -17.6302 -62.7782 -17.6302 67.1629 -49.3707 -62.7782 -49.3707 -40.4549 GPRESSAVG: 875800 4.39083 -18.8379 -62.4927 -19.8962 66.7364 -52.0641 -62.6726 -48.8142 -40.1832 TIMING: 875800 CPU: 2543.49, 0.00291605/step Wall: 2543.49, 0.00291605/step, 3.34066 hours remaining, 205.484375 MB of memory in use. ENERGY: 875800 763.4452 2110.1051 1945.8956 109.1043 -206324.1821 18010.5327 0.0000 0.0000 34202.9114 -149182.1878 298.7025 -183385.0993 -149084.2013 298.6105 200.1036 232.7695 557156.7809 10.2291 10.3147 PRESSURE: 876000 1.34205 41.2075 50.3033 41.2072 42.9541 -37.14 50.301 -37.1412 -107.81 GPRESSURE: 876000 64.7495 64.5379 -0.306246 73.1292 81.0378 -56.4645 133.396 -45.1019 -122.163 PRESSAVG: 876000 38.461 -38.2201 -26.6016 -38.2201 -34.6818 -50.8765 -26.6016 -50.8765 -35.3311 GPRESSAVG: 876000 38.8598 -37.0842 -27.75 -36.2405 -34.4879 -50.3192 -27.0686 -50.3901 -35.7159 TIMING: 876000 CPU: 2544.07, 0.00289995/step Wall: 2544.07, 0.00289995/step, 3.32206 hours remaining, 205.484375 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: 876000 758.0321 2078.7675 1966.0201 123.6726 -206334.6238 17972.9024 0.0000 0.0000 34067.9029 -149367.3262 297.5235 -183435.2291 -149273.8868 298.0337 -21.1713 7.8747 558827.7162 -10.5173 -10.4480 PRESSURE: 876200 179.874 165.455 -24.0496 165.455 -8.0918 201.497 -24.0494 201.496 -125.855 GPRESSURE: 876200 169.886 126.797 -119.37 93.2596 -3.13155 192.271 -55.5409 203.32 -8.58127 PRESSAVG: 876200 -22.0193 -36.3343 -9.82691 -36.3342 3.085 26.7098 -9.82681 26.7097 -23.2894 GPRESSAVG: 876200 -22.6762 -38.1385 -8.18173 -38.8257 3.40754 25.8873 -10.2661 26.9959 -22.9459 TIMING: 876200 CPU: 2544.65, 0.0028896/step Wall: 2544.65, 0.0028896/step, 3.31004 hours remaining, 205.484375 MB of memory in use. ENERGY: 876200 716.5812 2063.7477 1975.8652 113.4027 -206596.8290 18113.2537 0.0000 0.0000 34119.9160 -149494.0624 297.9777 -183613.9785 -149394.8014 297.9367 15.3091 52.7242 558242.9013 -14.0746 -14.0715 LDB: ============= START OF LOAD BALANCING ============== 2548.11 LDB: ============== END OF LOAD BALANCING =============== 2548.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2548.11 LDB: ============= START OF LOAD BALANCING ============== 2548.4 LDB: Largest compute 4820 load 0.027976 is 23.8% of average load 0.117553 LDB: Average compute 0.001743 is 1.5% of average load 0.117553 LDB: TIME 2548.41 LOAD: AVG 0.117553 MAX 0.174323 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.062 MB LDB: TIME 2548.41 LOAD: AVG 0.117553 MAX 0.174323 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.07 MB LDB: TIME 2548.41 LOAD: AVG 0.117553 MAX 0.174323 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.07 MB LDB: ============== END OF LOAD BALANCING =============== 2548.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2548.41 PRESSURE: 876400 254.477 -65.1031 -19.5645 -65.1021 24.6176 -48.6796 -19.5643 -48.6793 117.479 GPRESSURE: 876400 239.838 -72.2506 -102.524 69.321 137.658 53.9612 -11.5619 -66.7333 121.285 PRESSAVG: 876400 85.535 -6.47613 -39.5016 -6.47608 -1.49254 43.4548 -39.5015 43.4548 -46.1776 GPRESSAVG: 876400 85.9812 -3.13544 -42.7233 -5.48109 -2.6729 44.5765 -37.2606 41.9511 -46.1208 TIMING: 876400 CPU: 2545.24, 0.00293296/step Wall: 2545.24, 0.00293296/step, 3.35955 hours remaining, 205.019531 MB of memory in use. ENERGY: 876400 755.8719 2046.9579 1975.9939 101.3621 -206265.0123 17892.9268 0.0000 0.0000 33943.2160 -149548.6836 296.4345 -183491.8995 -149454.7740 298.0480 132.1913 166.2603 556235.4551 12.6216 12.3958 PRESSURE: 876600 4.81093 44.8018 222.132 44.8018 -207.312 -144.801 222.132 -144.801 -177.666 GPRESSURE: 876600 23.6066 108.598 237.736 -56.8937 -112.854 -128.503 217.779 -121.43 -200.438 PRESSAVG: 876600 57.6433 7.98146 24.0806 7.98137 -6.34324 42.6832 24.0806 42.6832 0.71596 GPRESSAVG: 876600 57.7685 4.51092 25.2591 8.65491 -7.21318 41.9143 23.7378 44.3087 1.36651 TIMING: 876600 CPU: 2545.82, 0.00290848/step Wall: 2545.82, 0.00290848/step, 3.33135 hours remaining, 205.457031 MB of memory in use. ENERGY: 876600 714.0651 2053.6486 1946.6671 126.8386 -206135.5141 17758.4065 0.0000 0.0000 33981.6959 -149554.1925 296.7706 -183535.8883 -149461.3332 297.8406 -126.7223 -96.5617 558782.4247 17.3387 17.3073 PRESSURE: 876800 -83.2453 37.9702 -59.2695 37.9703 -60.6654 71.6507 -59.2704 71.6507 -70.4798 GPRESSURE: 876800 -37.8038 34.232 -147.201 14.1305 -7.31064 163.783 -34.823 64.7495 -70.944 PRESSAVG: 876800 42.3264 27.8937 13.4373 27.8937 -54.3535 11.5829 13.4372 11.5828 32.954 GPRESSAVG: 876800 41.4864 28.8789 14.3959 27.2165 -52.7744 10.391 12.1913 9.81956 32.1384 TIMING: 876800 CPU: 2546.39, 0.00288131/step Wall: 2546.39, 0.00288131/step, 3.30006 hours remaining, 205.457031 MB of memory in use. ENERGY: 876800 725.8210 2067.5125 1955.1238 107.7585 -206251.3588 17949.2344 0.0000 0.0000 34007.4352 -149438.4735 296.9954 -183445.9087 -149341.7261 297.6506 -71.4635 -38.6862 558274.1959 6.9756 6.9501 PRESSURE: 877000 -11.1849 81.2022 -115.358 81.2027 85.6718 32.9027 -115.358 32.903 -204.886 GPRESSURE: 877000 24.3658 7.75504 -31.8325 102.929 108.215 26.7239 -66.97 99.94 -174.049 PRESSAVG: 877000 -48.0542 17.6038 -1.49988 17.6039 11.1243 38.7934 -1.49993 38.7934 25.1212 GPRESSAVG: 877000 -48.3265 17.1126 -1.23101 17.7471 11.0124 39.4401 -2.63954 41.5564 25.0045 TIMING: 877000 CPU: 2546.97, 0.0028915/step Wall: 2546.97, 0.0028915/step, 3.31157 hours remaining, 205.457031 MB of memory in use. ENERGY: 877000 768.4661 2020.0905 1985.3942 114.8318 -206298.2748 17898.5149 0.0000 0.0000 33981.9482 -149529.0291 296.7728 -183510.9773 -149434.9147 297.7534 -43.4663 -13.8226 558730.0128 -3.9362 -4.1032 PRESSURE: 877200 258.513 145.669 71.0117 145.67 161.256 14.079 71.0102 14.0797 195.733 GPRESSURE: 877200 259.029 125.902 133.82 71.6603 146.761 -29.1885 -27.1403 19.073 295.028 PRESSAVG: 877200 -27.7606 42.272 8.80218 42.272 12.3364 62.987 8.80227 62.987 12.455 GPRESSAVG: 877200 -28.7111 43.0177 8.89682 42.2691 11.4786 62.0301 10.9552 63.3431 14.281 TIMING: 877200 CPU: 2547.55, 0.00289369/step Wall: 2547.55, 0.00289369/step, 3.31392 hours remaining, 205.660156 MB of memory in use. ENERGY: 877200 733.5805 2076.8720 1960.4064 123.0943 -206509.5498 18006.8899 0.0000 0.0000 34289.0710 -149319.6356 299.4550 -183608.7066 -149225.1140 298.0686 205.1671 233.6060 556225.7284 -0.9897 -0.9838 PRESSURE: 877400 -26.8685 57.0358 46.164 57.0359 50.1867 -4.37986 46.1627 -4.38107 5.0487 GPRESSURE: 877400 29.0445 21.8287 19.4624 77.8448 44.6286 -17.2133 69.419 -4.59077 49.6282 PRESSAVG: 877400 33.9209 44.0503 -46.2091 44.0503 -2.59241 -18.2008 -46.2091 -18.2008 -2.23636 GPRESSAVG: 877400 34.0591 43.3868 -46.88 45.4953 -0.712596 -15.9596 -45.68 -20.053 -3.87039 TIMING: 877400 CPU: 2548.13, 0.00290987/step Wall: 2548.13, 0.00290987/step, 3.33228 hours remaining, 205.660156 MB of memory in use. ENERGY: 877400 767.0661 2042.5030 2000.1962 114.3502 -206599.2429 17972.4719 0.0000 0.0000 34294.3810 -149408.2745 299.5014 -183702.6554 -149311.1013 298.5703 9.4556 41.1004 555892.2548 9.6974 9.8254 PRESSURE: 877600 23.1262 6.14115 -43.2486 6.1413 93.4684 3.05995 -43.2478 3.05911 -57.7327 GPRESSURE: 877600 111.829 3.38041 -76.2413 -43.2371 102.965 -18.609 -30.3229 70.1355 -48.0727 PRESSAVG: 877600 -44.546 -1.14992 -2.63689 -1.14992 44.7455 21.9058 -2.63691 21.9057 -10.1585 GPRESSAVG: 877600 -43.8494 0.294974 -4.3981 -2.55068 43.5488 21.6413 -3.04161 23.9158 -9.18467 TIMING: 877600 CPU: 2548.71, 0.00289043/step Wall: 2548.71, 0.00289043/step, 3.30986 hours remaining, 205.660156 MB of memory in use. ENERGY: 877600 769.7081 2084.1712 1948.2876 111.9274 -206251.5673 17873.0841 0.0000 0.0000 34212.8575 -149251.5316 298.7894 -183464.3891 -149155.0724 299.1487 19.6206 55.5741 557765.0830 -3.3197 -3.1617 PRESSURE: 877800 -16.9739 224.605 90.4186 224.605 0.924483 50.1754 90.4182 50.1759 -107.915 GPRESSURE: 877800 18.3183 191.881 97.7221 287.203 10.4932 -43.348 88.7799 88.7464 -48.4108 PRESSAVG: 877800 24.0402 -30.9875 -19.5341 -30.9875 0.326141 41.019 -19.5341 41.019 -37.8767 GPRESSAVG: 877800 24.6697 -33.9666 -17.8098 -29.892 -0.83866 40.7088 -20.5205 38.5673 -37.2754 TIMING: 877800 CPU: 2549.29, 0.00289578/step Wall: 2549.29, 0.00289578/step, 3.31583 hours remaining, 205.660156 MB of memory in use. ENERGY: 877800 725.1938 2104.2227 1952.2903 112.3375 -205854.3797 17560.1465 0.0000 0.0000 34374.0337 -149026.1553 300.1970 -183400.1890 -148927.3766 298.9381 -41.3215 -6.5331 558709.6690 -4.5035 -4.4814 PRESSURE: 878000 -92.249 39.8702 -81.5493 39.8709 -60.8799 60.3172 -81.5507 60.3196 87.8275 GPRESSURE: 878000 -65.2491 56.8465 -61.774 34.869 17.1414 128.692 -24.2617 74.2671 76.8886 PRESSAVG: 878000 13.7797 28.1487 -4.63364 28.1487 37.8069 35.1134 -4.63362 35.1134 -15.9606 GPRESSAVG: 878000 13.3377 30.4036 -5.24015 28.1892 39.4997 33.6201 -2.99723 36.6205 -17.301 TIMING: 878000 CPU: 2549.87, 0.00290038/step Wall: 2549.87, 0.00290038/step, 3.32093 hours remaining, 205.660156 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: 878000 776.9373 2100.5614 1968.9808 116.5149 -206471.2103 18013.8160 0.0000 0.0000 34400.4032 -149093.9967 300.4273 -183494.3999 -148999.6801 299.8132 -21.7671 9.5936 558928.6280 11.8753 11.8455 PRESSURE: 878200 -171.971 80.4157 83.4457 80.4155 -142.378 88.2421 83.4469 88.2431 15.0645 GPRESSURE: 878200 -88.9234 9.84417 94.8514 19.0413 -117.981 144.22 82.3478 10.1714 -10.1081 PRESSAVG: 878200 0.711838 21.4981 -0.625597 21.4981 -19.2347 4.20924 -0.625648 4.20931 27.1754 GPRESSAVG: 878200 1.35837 20.3162 -0.548765 19.9584 -18.6581 7.0058 -1.17974 2.64741 25.9689 TIMING: 878200 CPU: 2550.45, 0.00291884/step Wall: 2550.45, 0.00291884/step, 3.34191 hours remaining, 205.660156 MB of memory in use. ENERGY: 878200 761.2337 2045.3263 1944.8615 127.9921 -206055.2536 17778.3616 0.0000 0.0000 34331.7099 -149065.7686 299.8274 -183397.4785 -148971.9883 299.4354 -99.7613 -72.3376 559669.5037 2.8842 2.8897 PRESSURE: 878400 -154.545 16.5017 -141.615 16.5006 153.248 180.151 -141.614 180.15 -203.38 GPRESSURE: 878400 -132.478 -30.8863 -47.3119 95.7542 157.93 183.482 -181.66 200.126 -140.15 PRESSAVG: 878400 11.6154 17.838 32.9118 17.8381 -24.77 26.1803 32.9118 26.1801 4.55567 GPRESSAVG: 878400 11.021 17.1484 32.9813 18.1698 -24.7815 24.4545 29.6891 26.8647 4.27543 TIMING: 878400 CPU: 2551.04, 0.00290648/step Wall: 2551.04, 0.00290648/step, 3.3276 hours remaining, 205.660156 MB of memory in use. ENERGY: 878400 749.9614 2130.3778 1965.3944 102.0692 -206085.7515 17842.5469 0.0000 0.0000 34074.2175 -149221.1843 297.5786 -183295.4018 -149119.6292 298.8188 -68.2259 -38.2328 558213.9732 -2.8663 -3.1617 PRESSURE: 878600 -24.7003 140.966 -51.1053 140.965 0.988624 97.4507 -51.1044 97.4498 9.95773 GPRESSURE: 878600 22.206 139.509 9.49107 108.534 -6.19615 207.234 -59.8133 41.163 75.8522 PRESSAVG: 878600 15.2044 4.17211 -23.4563 4.17213 -55.6015 3.67547 -23.4562 3.67544 25.7981 GPRESSAVG: 878600 14.2178 3.51546 -21.6369 4.61981 -54.7411 5.32567 -20.3079 3.09055 25.7051 TIMING: 878600 CPU: 2551.61, 0.00288535/step Wall: 2551.61, 0.00288535/step, 3.30324 hours remaining, 205.660156 MB of memory in use. ENERGY: 878600 728.6461 2054.3711 1974.4197 110.1418 -206284.1109 17900.3561 0.0000 0.0000 34236.8354 -149279.3406 298.9988 -183516.1760 -149188.8193 298.3059 -4.5846 30.6207 558071.1171 -4.8664 -4.9394 PRESSURE: 878800 6.88518 69.5825 -112.175 69.5821 -134.275 -103.071 -112.175 -103.07 49.9535 GPRESSURE: 878800 47.2725 44.8814 -88.4734 12.7125 -97.6879 -70.6215 -177.245 -100.243 84.1669 PRESSAVG: 878800 -31.6479 -33.9053 1.95379 -33.9053 63.0234 41.6086 1.95387 41.6085 -27.7262 GPRESSAVG: 878800 -31.1647 -33.198 -0.103155 -33.3836 61.1318 39.7766 1.71323 40.9884 -26.5364 TIMING: 878800 CPU: 2552.19, 0.00289988/step Wall: 2552.19, 0.00289988/step, 3.31972 hours remaining, 205.660156 MB of memory in use. ENERGY: 878800 734.7606 2055.2864 1962.1630 115.6302 -206441.1474 17914.0968 0.0000 0.0000 34066.3596 -149592.8507 297.5100 -183659.2103 -149490.0917 298.0809 -25.8122 11.2505 558310.0283 1.2164 1.1436 PRESSURE: 879000 -214.217 126.332 -37.8536 126.332 -291.729 0.184401 -37.8536 0.183384 129.43 GPRESSURE: 879000 -258.411 104.195 57.4105 111.803 -223.002 -69.7194 -24.3523 5.92682 199.088 PRESSAVG: 879000 -16.0929 6.5549 42.2287 6.55491 16.1081 -40.0198 42.2288 -40.0198 -4.0024 GPRESSAVG: 879000 -16.3548 5.04135 42.4595 7.37945 16.5113 -40.4889 42.7312 -38.0011 -4.13864 TIMING: 879000 CPU: 2552.77, 0.0029021/step Wall: 2552.77, 0.0029021/step, 3.3221 hours remaining, 205.660156 MB of memory in use. ENERGY: 879000 761.6191 2056.3478 1967.1466 123.3121 -206376.7254 17847.4119 0.0000 0.0000 34101.8050 -149519.0829 297.8195 -183620.8879 -149419.7876 297.4539 -125.5054 -94.1083 557853.1114 -1.3291 -1.3274 PRESSURE: 879200 -3.71054 72.6374 133.192 72.6371 -107.465 -17.9843 133.192 -17.9835 157.141 GPRESSURE: 879200 51.1032 36.5525 149.575 106.029 -87.0728 -17.3697 109.89 -54.4835 176.061 PRESSAVG: 879200 -42.1604 -48.086 7.5929 -48.0859 26.3887 -38.1929 7.59294 -38.1929 36.8623 GPRESSAVG: 879200 -42.4422 -47.1446 8.30852 -49.4384 25.9784 -37.4914 7.09777 -39.6862 36.6364 TIMING: 879200 CPU: 2553.35, 0.00289975/step Wall: 2553.35, 0.00289975/step, 3.31925 hours remaining, 205.660156 MB of memory in use. ENERGY: 879200 736.2486 2118.0091 1986.1848 104.1007 -206287.4374 17798.0457 0.0000 0.0000 34097.7216 -149447.1268 297.7839 -183544.8484 -149349.1138 298.4427 15.3219 46.6970 557453.0354 7.0302 6.7242 PRESSURE: 879400 -36.0865 -34.7558 -77.4195 -34.7555 -244.244 132.009 -77.4188 132.009 -222.406 GPRESSURE: 879400 20.5846 -17.9828 -25.2897 -90.0026 -224.62 147.104 -70.8988 145.786 -205.336 PRESSAVG: 879400 52.6056 -30.1349 31.2421 -30.135 -11.8584 -10.34 31.2421 -10.3399 -2.91496 GPRESSAVG: 879400 53.0959 -30.3543 33.3657 -27.534 -11.7715 -11.0487 29.8533 -8.23564 -3.14616 TIMING: 879400 CPU: 2553.93, 0.00288664/step Wall: 2553.93, 0.00288664/step, 3.30408 hours remaining, 205.660156 MB of memory in use. ENERGY: 879400 769.3050 2144.6880 1965.8697 132.8336 -206064.7554 17524.6915 0.0000 0.0000 34108.6230 -149418.7446 297.8791 -183527.3675 -149317.5721 298.5026 -167.5788 -136.4573 557145.8938 12.6107 12.7261 PRESSURE: 879600 29.778 -3.29615 33.1314 -3.29658 28.3129 -56.3783 33.1321 -56.3781 -263.689 GPRESSURE: 879600 116.097 43.7536 10.2284 -66.927 10.8748 18.3401 36.0216 -37.5928 -238.691 PRESSAVG: 879600 33.3166 -81.7403 41.5279 -81.7403 -7.63252 49.9478 41.528 49.9479 -44.7786 GPRESSAVG: 879600 33.5866 -80.3851 42.3922 -83.4931 -8.9389 50.4966 40.3895 48.9061 -43.3139 TIMING: 879600 CPU: 2554.51, 0.00289232/step Wall: 2554.51, 0.00289232/step, 3.31042 hours remaining, 205.660156 MB of memory in use. ENERGY: 879600 756.7974 2122.0469 1968.1051 112.5778 -206273.2896 17779.5104 0.0000 0.0000 34178.5243 -149355.7277 298.4896 -183534.2520 -149260.1915 298.8720 -68.5327 -37.2399 556722.1063 -6.3649 -6.2221 PRESSURE: 879800 -199.112 48.5249 -70.7612 48.5249 -97.3368 -69.1829 -70.7615 -69.1817 58.7676 GPRESSURE: 879800 -161.02 -29.6916 -11.9083 19.7664 -33.2908 -94.3182 -48.1468 -89.3257 60.1318 PRESSAVG: 879800 14.1495 31.8819 35.0532 31.8818 16.6454 15.2104 35.0533 15.2104 -27.6945 GPRESSAVG: 879800 14.3423 32.7291 34.2891 30.6917 18.4831 17.484 36.62 12.956 -28.9615 TIMING: 879800 CPU: 2555.08, 0.00288003/step Wall: 2555.08, 0.00288003/step, 3.2962 hours remaining, 205.660156 MB of memory in use. ENERGY: 879800 821.5928 2117.6322 1984.2641 115.4595 -206431.9318 17929.9430 0.0000 0.0000 34217.9860 -149245.0542 298.8342 -183463.0402 -149154.4824 299.1432 -79.2272 -44.7265 557043.8731 1.0335 1.2880 PRESSURE: 880000 52.4723 -29.0401 -82.5761 -29.0411 -18.7224 -40.0267 -82.576 -40.0266 73.8617 GPRESSURE: 880000 73.1328 -46.5432 -108.233 -79.6676 24.727 -7.44763 -61.6509 -2.163 106.456 PRESSAVG: 880000 15.8712 22.1457 1.02712 22.1456 0.636144 0.40564 1.02711 0.40554 -39.0368 GPRESSAVG: 880000 16.8635 20.4407 0.0835768 23.173 -1.16402 -1.74607 1.33804 0.738236 -38.3482 TIMING: 880000 CPU: 2555.66, 0.0028937/step Wall: 2555.66, 0.0028937/step, 3.31168 hours remaining, 205.660156 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: 880000 731.7386 2143.3025 2003.3334 120.1056 -206434.9909 17840.8058 0.0000 0.0000 34329.7339 -149265.9711 299.8101 -183595.7050 -149165.9483 298.9985 35.8705 68.1054 555120.5129 -7.5098 -7.5496 PRESSURE: 880200 -237.497 131.126 -78.9812 131.125 -70.2133 -6.88615 -78.9802 -6.88554 183.983 GPRESSURE: 880200 -162.191 99.2016 -122.563 108.674 -27.7602 -4.38812 -92.8288 -75.473 159.77 PRESSAVG: 880200 68.1652 22.8204 -9.26881 22.8204 15.405 -11.4969 -9.26888 -11.4969 -67.2554 GPRESSAVG: 880200 66.7958 22.976 -11.7353 21.7372 17.1069 -11.0326 -9.02431 -10.6653 -67.2388 TIMING: 880200 CPU: 2556.24, 0.00290564/step Wall: 2556.24, 0.00290564/step, 3.32518 hours remaining, 205.660156 MB of memory in use. ENERGY: 880200 724.2552 2075.6895 1980.7066 133.1519 -205786.4288 17530.9817 0.0000 0.0000 34111.5088 -149230.1351 297.9043 -183341.6439 -149138.4361 299.3780 -41.2423 -10.0604 556212.0040 5.4383 5.5546 LDB: ============= START OF LOAD BALANCING ============== 2559.71 LDB: ============== END OF LOAD BALANCING =============== 2559.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2559.71 LDB: ============= START OF LOAD BALANCING ============== 2560 LDB: Largest compute 4820 load 0.028578 is 24.3% of average load 0.117551 LDB: Average compute 0.001741 is 1.5% of average load 0.117551 LDB: TIME 2560 LOAD: AVG 0.117551 MAX 0.177527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 2560 LOAD: AVG 0.117551 MAX 0.177527 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.738 MB LDB: TIME 2560 LOAD: AVG 0.117551 MAX 0.177527 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2560 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2560.01 PRESSURE: 880400 -77.4234 109.014 -13.0579 109.014 74.3076 -2.30348 -13.0585 -2.30371 -129.801 GPRESSURE: 880400 -51.5378 182.307 -53.8128 4.5188 120.154 74.4914 51.4425 -92.3627 -93.939 PRESSAVG: 880400 -21.29 43.2052 -22.8448 43.205 12.4325 30.0573 -22.8448 30.0573 -2.32679 GPRESSAVG: 880400 -20.6301 42.673 -20.2866 45.5172 11.4253 30.7124 -23.3925 30.8211 -2.42284 TIMING: 880400 CPU: 2556.83, 0.00293554/step Wall: 2556.83, 0.00293554/step, 3.35924 hours remaining, 204.824219 MB of memory in use. ENERGY: 880400 723.9139 2143.6970 1972.3518 108.2934 -206438.3536 17728.5406 0.0000 0.0000 34458.1455 -149303.4114 300.9316 -183761.5570 -149205.0430 298.9953 -44.3055 -8.4411 555522.7399 -3.7281 -3.8758 PRESSURE: 880600 270.698 -125.36 69.2232 -125.358 -196.854 100.091 69.2235 100.09 3.65264 GPRESSURE: 880600 357.953 -103.405 -18.9022 -76.699 -223.581 58.9808 120.739 130.3 50.1658 PRESSAVG: 880600 48.8512 -4.59897 -18.7667 -4.59901 -10.6579 18.9472 -18.7668 18.9473 -27.9171 GPRESSAVG: 880600 48.382 -3.61156 -19.8473 -5.16932 -11.4395 15.0431 -16.4911 20.7712 -27.1377 TIMING: 880600 CPU: 2557.41, 0.00289426/step Wall: 2557.41, 0.00289426/step, 3.31184 hours remaining, 204.824219 MB of memory in use. ENERGY: 880600 777.9669 2126.5659 1976.0090 118.7080 -206332.5410 17847.3630 0.0000 0.0000 34205.8107 -149280.1176 298.7279 -183485.9282 -149181.7236 299.4635 25.8323 61.5127 556440.4398 3.4254 3.2683 PRESSURE: 880800 -267.859 10.6799 -62.0016 10.6793 -11.7843 -162.818 -62.0022 -162.817 -76.7935 GPRESSURE: 880800 -260.02 -55.3519 9.45167 39.9911 31.8718 -152.581 -157.988 -172.529 -28.5717 PRESSAVG: 880800 77.6016 -11.3932 21.3397 -11.3932 -60.5119 -41.5404 21.3397 -41.5403 3.24177 GPRESSAVG: 880800 76.706 -12.7247 21.7584 -11.0382 -59.2965 -38.7492 20.1265 -43.9073 3.31166 TIMING: 880800 CPU: 2557.99, 0.00288724/step Wall: 2557.99, 0.00288724/step, 3.30365 hours remaining, 204.851562 MB of memory in use. ENERGY: 880800 772.3247 2104.1899 1951.3205 103.1856 -206424.4605 17923.0514 0.0000 0.0000 34229.8019 -149340.5864 298.9374 -183570.3884 -149245.8702 298.2617 -118.8124 -85.5734 558199.5552 6.7771 6.9071 PRESSURE: 881000 -242.912 -66.3326 4.12066 -66.3325 -115.755 -132.053 4.12138 -132.051 38.7945 GPRESSURE: 881000 -181.958 -31.1105 26.2696 -96.6406 -16.0189 -191.062 18.5678 -87.5745 -33.0505 PRESSAVG: 881000 54.9722 -11.4002 13.892 -11.4002 -4.98153 -26.0923 13.892 -26.0923 -19.3361 GPRESSAVG: 881000 56.3283 -10.5911 14.8839 -12.7018 -4.98895 -24.9539 11.9297 -27.3343 -20.3631 TIMING: 881000 CPU: 2558.57, 0.00290222/step Wall: 2558.57, 0.00290222/step, 3.32062 hours remaining, 204.851562 MB of memory in use. ENERGY: 881000 758.7153 2119.3058 1973.7482 111.1744 -206200.1886 17726.8275 0.0000 0.0000 34130.5376 -149379.8799 298.0705 -183510.4175 -149286.7848 298.5573 -106.6245 -77.0090 557069.3366 10.2182 10.3254 PRESSURE: 881200 121.924 -2.42826 -55.9521 -2.42856 119.165 57.34 -55.9526 57.3393 -22.0297 GPRESSURE: 881200 188.463 11.1113 -34.418 -47.0725 115.225 51.5405 -59.6613 27.0309 20.3168 PRESSAVG: 881200 -24.2826 -6.63181 -10.5083 -6.63184 61.8058 -38.1465 -10.5083 -38.1464 -69.809 GPRESSAVG: 881200 -22.867 -7.56484 -12.6255 -5.62387 60.5852 -39.9786 -9.1644 -35.6536 -69.9631 TIMING: 881200 CPU: 2559.15, 0.00289268/step Wall: 2559.15, 0.00289268/step, 3.30954 hours remaining, 204.851562 MB of memory in use. ENERGY: 881200 766.8052 2092.6740 1997.4999 109.6121 -206585.1525 17884.5149 0.0000 0.0000 34194.6111 -149539.4354 298.6300 -183734.0465 -149435.6082 298.7573 73.0198 108.0016 557073.3314 -10.7620 -10.7483 PRESSURE: 881400 -365.385 119.43 -170.967 119.428 -230.049 68.0978 -170.967 68.0984 17.2077 GPRESSURE: 881400 -354.194 92.9694 -145.315 112.691 -169.5 27.3608 -161.561 66.7182 46.322 PRESSAVG: 881400 9.86459 23.1284 8.03503 23.1283 22.4592 -7.64419 8.03503 -7.64411 7.39169 GPRESSAVG: 881400 9.75853 24.4487 8.6201 22.5121 23.4429 -7.33576 8.83531 -9.17009 6.86379 TIMING: 881400 CPU: 2559.73, 0.00289394/step Wall: 2559.73, 0.00289394/step, 3.31082 hours remaining, 204.851562 MB of memory in use. ENERGY: 881400 750.4219 2186.6198 1966.8982 112.6254 -206414.0831 17777.9073 0.0000 0.0000 34091.7941 -149527.8164 297.7321 -183619.6105 -149427.7502 298.2635 -192.7420 -159.1239 559043.5574 13.2385 13.3551 PRESSURE: 881600 -398.953 -19.3912 3.40674 -19.3905 -263.84 -82.894 3.40713 -82.8939 16.6254 GPRESSURE: 881600 -290.184 -56.097 30.0687 -1.42481 -271.292 -149.138 0.690986 5.24468 10.6611 PRESSAVG: 881600 -21.7475 16.6847 -6.46073 16.6847 51.3641 3.28466 -6.46067 3.28478 -13.0973 GPRESSAVG: 881600 -23.7485 17.7235 -4.26377 16.1151 51.7305 3.60939 -6.97502 4.50012 -10.9165 TIMING: 881600 CPU: 2560.3, 0.00289279/step Wall: 2560.3, 0.00289279/step, 3.30935 hours remaining, 204.851562 MB of memory in use. ENERGY: 881600 804.2175 2129.0764 1972.7986 102.2021 -206019.8549 17604.1307 0.0000 0.0000 33980.6648 -149426.7648 296.7616 -183407.4296 -149331.5604 298.3755 -215.3894 -183.6050 559392.2873 5.5064 5.6885 PRESSURE: 881800 -211.053 -112.485 54.1227 -112.484 -352.851 54.1682 54.1224 54.1685 -397.33 GPRESSURE: 881800 -234.113 -148.323 128.487 -94.4813 -263.259 79.544 19.4565 59.3128 -352.559 PRESSAVG: 881800 -17.1145 11.9568 5.59328 11.9568 10.9149 39.4445 5.59327 39.4445 -3.04198 GPRESSAVG: 881800 -15.5776 9.12441 2.73735 12.4655 10.5437 39.6361 6.47303 39.5143 -4.00506 TIMING: 881800 CPU: 2560.88, 0.00288934/step Wall: 2560.88, 0.00288934/step, 3.30525 hours remaining, 204.851562 MB of memory in use. ENERGY: 881800 749.6306 2139.1021 1967.6985 118.0842 -205640.9745 17476.5331 0.0000 0.0000 33941.1612 -149248.7649 296.4166 -183189.9260 -149153.1920 298.5470 -320.4114 -283.3107 560010.4762 -3.0805 -3.0130 PRESSURE: 882000 -108.254 30.2146 193.057 30.2128 -114.499 -1.38658 193.058 -1.38586 6.17341 GPRESSURE: 882000 -49.5356 -16.4398 123.944 65.0958 -86.9502 79.3602 175.352 -45.9082 11.4118 PRESSAVG: 882000 49.2316 19.6187 4.81134 19.6186 -46.7061 46.7789 4.81137 46.7787 20.1765 GPRESSAVG: 882000 48.335 20.6535 4.57465 20.9273 -46.1465 45.3155 5.63223 48.0067 20.4046 TIMING: 882000 CPU: 2561.46, 0.00291095/step Wall: 2561.46, 0.00291095/step, 3.3298 hours remaining, 204.851562 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: 882000 765.3837 2088.3055 1988.5158 121.2989 -206087.6706 17877.0398 0.0000 0.0000 34154.9304 -149092.1964 298.2835 -183247.1268 -148998.3896 298.9187 -72.1931 -41.6913 558049.1055 7.5673 7.5310 PRESSURE: 882200 -304.84 88.3658 -23.5409 88.3656 -61.2495 -127.445 -23.5417 -127.446 -18.6389 GPRESSURE: 882200 -272.673 87.0373 4.38203 88.2159 -48.1049 -67.5818 -34.3208 -181.213 38.8257 PRESSAVG: 882200 -6.07084 31.8904 23.4539 31.8904 -28.1151 -26.7636 23.4539 -26.7637 47.8549 GPRESSAVG: 882200 -7.27219 33.5666 24.6078 30.8914 -27.1107 -25.6419 21.6663 -27.7492 47.757 TIMING: 882200 CPU: 2562.05, 0.00290539/step Wall: 2562.05, 0.00290539/step, 3.32328 hours remaining, 204.851562 MB of memory in use. ENERGY: 882200 746.7384 2116.9584 1990.6270 113.3150 -205997.6134 17631.9017 0.0000 0.0000 34238.2448 -149159.8281 299.0111 -183398.0729 -149054.7194 299.2662 -128.2429 -93.9841 559128.1797 4.5563 4.4580 PRESSURE: 882400 -14.0598 93.3843 216.123 93.3854 -57.3138 14.5696 216.124 14.5704 -223.623 GPRESSURE: 882400 -12.7297 105.546 156.705 -51.2604 -8.27889 1.16911 155.91 29.0116 -181.628 PRESSAVG: 882400 -74.1138 49.6627 -11.1876 49.6627 -17.4746 -12.2133 -11.1875 -12.2134 55.8815 GPRESSAVG: 882400 -72.2824 50.0375 -12.1968 47.9979 -18.4028 -12.3206 -12.1304 -12.7541 54.8484 TIMING: 882400 CPU: 2562.63, 0.00290716/step Wall: 2562.63, 0.00290716/step, 3.32515 hours remaining, 204.910156 MB of memory in use. ENERGY: 882400 772.3249 2146.6357 1963.2181 127.5548 -206170.6795 17847.6578 0.0000 0.0000 34170.9684 -149142.3198 298.4236 -183313.2882 -149052.3094 298.2452 -98.3321 -67.5455 559542.4784 -11.9023 -11.9456 PRESSURE: 882600 124.232 -55.066 11.3097 -55.0658 -117.633 -34.3254 11.3097 -34.3269 81.6441 GPRESSURE: 882600 128.122 -110.955 99.8003 64.0171 -91.2318 -64.4025 -123.214 -37.6787 164.876 PRESSAVG: 882600 5.88502 24.2287 -7.24744 24.2288 -15.9236 -32.6936 -7.24733 -32.6935 12.3831 GPRESSAVG: 882600 4.25135 21.7406 -7.62038 25.1091 -16.3813 -33.0793 -5.61802 -32.1833 14.0617 TIMING: 882600 CPU: 2563.21, 0.00290126/step Wall: 2563.21, 0.00290126/step, 3.31823 hours remaining, 204.910156 MB of memory in use. ENERGY: 882600 765.9505 2149.4934 1971.1093 96.0746 -206376.3839 17975.1609 0.0000 0.0000 34165.3367 -149253.2585 298.3744 -183418.5952 -149160.2651 298.8127 29.4146 67.2553 557777.4059 0.7815 0.6439 PRESSURE: 882800 -301.431 -30.6835 -37.2099 -30.6841 -135.469 -133.201 -37.2098 -133.201 -5.86758 GPRESSURE: 882800 -289.911 -11.8649 15.3349 -52.9573 -27.1924 -140.25 -71.6012 -114.233 -30.822 PRESSAVG: 882800 15.4921 5.41546 76.6033 5.41551 0.204711 7.14661 76.6033 7.14665 -18.0023 GPRESSAVG: 882800 16.1466 6.30709 76.4995 6.861 0.902463 6.921 77.2691 7.9266 -19.5569 TIMING: 882800 CPU: 2563.78, 0.00286724/step Wall: 2563.78, 0.00286724/step, 3.27916 hours remaining, 204.910156 MB of memory in use. ENERGY: 882800 731.9008 2035.7037 1970.7348 120.8462 -205806.5200 17503.8845 0.0000 0.0000 34265.9625 -149177.4876 299.2532 -183443.4501 -149079.3807 299.2832 -147.5892 -115.9751 558633.0109 -0.7685 -0.8359 PRESSURE: 883000 231.083 -117.909 -235.518 -117.908 298.036 207.985 -235.518 207.985 189.73 GPRESSURE: 883000 281.182 -54.6243 -265.124 -146.548 355.934 126.628 -222.585 144.234 183.3 PRESSAVG: 883000 48.4336 -21.9933 -12.5352 -21.9933 -7.73272 13.7709 -12.5352 13.7709 -44.7209 GPRESSAVG: 883000 47.519 -21.1639 -11.9477 -22.6084 -8.72485 14.9735 -16.1902 11.4491 -42.9773 TIMING: 883000 CPU: 2564.36, 0.00289985/step Wall: 2564.36, 0.00289985/step, 3.3163 hours remaining, 204.910156 MB of memory in use. ENERGY: 883000 714.1387 2126.0777 1977.6876 118.3039 -206541.9630 18238.4147 0.0000 0.0000 34191.9275 -149175.4131 298.6066 -183367.3406 -149091.3858 299.1723 239.6162 273.4721 558250.3893 -1.3400 -1.3944 PRESSURE: 883200 122.279 -142.704 -29.4353 -142.703 -130.41 53.9669 -29.4358 53.9671 -248.381 GPRESSURE: 883200 177.711 -232.166 -65.9969 -60.4979 -98.3976 30.4766 19.3474 76.5951 -237.203 PRESSAVG: 883200 23.2852 -70.4362 66.8758 -70.4362 -31.5462 10.6942 66.8757 10.6942 18.7061 GPRESSAVG: 883200 24.433 -70.9623 67.3897 -69.8847 -31.2596 9.74735 67.5342 12.553 17.739 TIMING: 883200 CPU: 2564.94, 0.0029044/step Wall: 2564.94, 0.0029044/step, 3.32134 hours remaining, 205.054688 MB of memory in use. ENERGY: 883200 727.7514 2046.4299 1978.5239 109.8615 -206162.4464 17853.4633 0.0000 0.0000 34253.9345 -149192.4819 299.1481 -183446.4164 -149093.1353 298.7730 -85.5038 -52.6297 557615.0635 3.4817 3.6374 PRESSURE: 883400 84.8094 -83.631 -116.679 -83.6316 -33.8695 73.7559 -116.68 73.7571 42.7552 GPRESSURE: 883400 134.404 -3.89527 -108.631 -109.076 47.0605 -27.9176 -93.0201 144.404 3.26315 PRESSAVG: 883400 -22.0309 -12.3417 -21.2925 -12.3416 65.7646 15.7924 -21.2925 15.7925 -60.774 GPRESSAVG: 883400 -21.8321 -12.6912 -20.9222 -13.8409 66.0318 15.3399 -20.3279 17.7838 -61.4138 TIMING: 883400 CPU: 2565.52, 0.00289606/step Wall: 2565.52, 0.00289606/step, 3.31164 hours remaining, 205.054688 MB of memory in use. ENERGY: 883400 727.5228 2089.3993 1975.1004 108.6422 -206411.7728 18066.4465 0.0000 0.0000 34260.7031 -149183.9585 299.2072 -183444.6616 -149084.5437 299.0583 31.2317 61.5760 558506.9863 -5.6801 -5.7380 PRESSURE: 883600 -172.498 54.2292 -166.04 54.2299 105.508 -35.8036 -166.041 -35.8039 -24.1469 GPRESSURE: 883600 -162.017 73.0436 -116.856 96.1518 110.357 22.8837 -178.852 8.28134 54.9433 PRESSAVG: 883600 -6.74771 -17.7505 -93.2283 -17.7505 -8.87222 -51.8928 -93.2283 -51.8928 -5.9859 GPRESSAVG: 883600 -7.00868 -15.2172 -95.0663 -18.8522 -9.26508 -50.5651 -92.1973 -53.7452 -5.74419 TIMING: 883600 CPU: 2566.1, 0.00288575/step Wall: 2566.1, 0.00288575/step, 3.2997 hours remaining, 205.054688 MB of memory in use. ENERGY: 883600 736.5455 2050.0760 1966.4528 124.4185 -206202.4287 17804.0179 0.0000 0.0000 34111.8256 -149409.0924 297.9071 -183520.9180 -149310.7145 298.6106 -30.3791 1.0943 557652.3554 -7.2019 -7.3393 PRESSURE: 883800 342.437 -26.0508 55.1287 -26.0514 -129.869 91.579 55.1297 91.5776 -137.998 GPRESSURE: 883800 323.399 24.6143 23.7911 15.7559 -82.8359 62.4114 143.431 -0.279322 -67.9106 PRESSAVG: 883800 43.1568 -19.8671 5.85522 -19.8671 50.3865 11.4434 5.85527 11.4434 -44.3961 GPRESSAVG: 883800 43.4698 -21.7273 5.8697 -17.5632 50.4631 12.4146 5.29847 9.4451 -44.4752 TIMING: 883800 CPU: 2566.68, 0.00288859/step Wall: 2566.68, 0.00288859/step, 3.30279 hours remaining, 205.054688 MB of memory in use. ENERGY: 883800 722.8265 2046.9755 2002.9180 113.1879 -206313.8252 17881.5198 0.0000 0.0000 34183.3336 -149363.0639 298.5316 -183546.3976 -149265.0030 298.5936 24.8564 57.5508 556305.7196 16.3824 16.4859 PRESSURE: 884000 -128.621 -165.252 -45.4488 -165.251 -247.035 56.3033 -45.4492 56.3033 -336.436 GPRESSURE: 884000 -85.0717 -244.247 -126.367 -129.112 -223.79 85.8108 -106.833 44.1403 -293.454 PRESSAVG: 884000 -5.06548 -28.4619 -51.9374 -28.4617 33.0929 63.723 -51.9373 63.723 -44.1111 GPRESSAVG: 884000 -5.55346 -27.9565 -50.6499 -29.6451 32.8608 64.5579 -53.9272 64.4727 -43.3759 TIMING: 884000 CPU: 2567.26, 0.00291352/step Wall: 2567.26, 0.00291352/step, 3.33113 hours remaining, 205.054688 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: 884000 784.3616 2085.4158 1953.4234 107.7474 -205910.4098 17519.3817 0.0000 0.0000 34111.7497 -149348.3302 297.9064 -183460.0799 -149255.0038 298.4469 -237.3641 -200.7720 557417.3451 -5.3612 -5.3562 PRESSURE: 884200 -24.4266 -5.69024 169.505 -5.69076 -167.98 -48.7371 169.504 -48.7374 -149.49 GPRESSURE: 884200 -32.367 36.2722 172.763 -54.1672 -111.081 -49.4824 214.146 -12.3889 -112.29 PRESSAVG: 884200 -14.8661 -71.0189 -17.2802 -71.0189 16.3838 31.5422 -17.2803 31.5422 -9.20452 GPRESSAVG: 884200 -14.3357 -73.1614 -18.1656 -71.8644 16.9314 27.5709 -15.548 34.1628 -10.2934 TIMING: 884200 CPU: 2567.84, 0.00289973/step Wall: 2567.84, 0.00289973/step, 3.3152 hours remaining, 205.054688 MB of memory in use. ENERGY: 884200 705.6289 2114.5541 1995.4444 122.0300 -206195.4268 17649.3505 0.0000 0.0000 34158.7605 -149449.6584 298.3170 -183608.4189 -149357.5748 298.1615 -113.9654 -85.2457 557678.3062 -2.5622 -2.5659 LDB: ============= START OF LOAD BALANCING ============== 2571.3 LDB: ============== END OF LOAD BALANCING =============== 2571.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2571.3 LDB: ============= START OF LOAD BALANCING ============== 2571.6 LDB: Largest compute 4820 load 0.027957 is 23.8% of average load 0.117530 LDB: Average compute 0.001741 is 1.5% of average load 0.117530 LDB: TIME 2571.6 LOAD: AVG 0.11753 MAX 0.179848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.199 MB LDB: TIME 2571.6 LOAD: AVG 0.11753 MAX 0.179848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.402 MB LDB: TIME 2571.6 LOAD: AVG 0.11753 MAX 0.179848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.402 MB LDB: ============== END OF LOAD BALANCING =============== 2571.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2571.61 PRESSURE: 884400 97.802 -17.3831 44.6104 -17.3842 -35.5795 -21.5472 44.6105 -21.5479 -57.1023 GPRESSURE: 884400 147.534 14.2775 -8.72363 17.8432 -14.2869 -66.3578 94.905 116.723 -36.8886 PRESSAVG: 884400 -16.8192 3.92741 -19.2291 3.92737 -31.7098 25.4844 -19.229 25.4845 27.5027 GPRESSAVG: 884400 -17.3538 5.7218 -19.1124 4.37666 -32.188 29.1491 -21.6344 24.1851 28.3593 TIMING: 884400 CPU: 2568.43, 0.00295924/step Wall: 2568.43, 0.00295924/step, 3.38307 hours remaining, 206.039062 MB of memory in use. ENERGY: 884400 744.3210 2088.6202 1982.2388 112.9690 -206517.6094 17917.9418 0.0000 0.0000 34266.7066 -149404.8120 299.2597 -183671.5186 -149308.1997 298.7837 1.7067 32.1194 558227.1065 -7.0088 -7.0608 PRESSURE: 884600 -166.746 -90.1092 75.3367 -90.1082 -54.4385 -8.78493 75.3386 -8.78485 111.096 GPRESSURE: 884600 -129.561 -156.979 59.388 -101.696 -8.34833 85.8885 108.285 22.9705 121.696 PRESSAVG: 884600 -69.1201 -19.2824 20.3071 -19.2825 22.2702 -0.639886 20.3072 -0.639889 66.5724 GPRESSAVG: 884600 -69.5757 -18.4357 20.0235 -19.9013 22.8861 -1.96422 22.1819 -1.99921 66.9176 TIMING: 884600 CPU: 2569.01, 0.00289946/step Wall: 2569.01, 0.00289946/step, 3.31457 hours remaining, 206.039062 MB of memory in use. ENERGY: 884600 747.8422 2135.9332 1987.8771 113.4150 -206219.5712 17656.9808 0.0000 0.0000 34169.1175 -149408.4055 298.4074 -183577.5230 -149306.8746 299.6112 -36.6960 -5.4043 557721.1188 6.5741 6.7427 PRESSURE: 884800 -7.44546 -125.618 71.2905 -125.618 -2.8584 209.355 71.291 209.355 -259.241 GPRESSURE: 884800 -1.898 -22.0737 63.7836 -193.126 48.3843 227.383 88.6631 217.057 -209.957 PRESSAVG: 884800 -76.9041 -6.04163 42.8484 -6.04161 65.1022 5.36482 42.8483 5.36483 13.3695 GPRESSAVG: 884800 -76.8002 -7.63359 44.1962 -4.52852 65.1858 5.51115 43.1987 5.11041 13.0884 TIMING: 884800 CPU: 2569.59, 0.00291382/step Wall: 2569.59, 0.00291382/step, 3.33082 hours remaining, 206.039062 MB of memory in use. ENERGY: 884800 771.2581 2106.5379 1979.6614 118.0859 -206146.3779 17732.0145 0.0000 0.0000 34116.5707 -149322.2495 297.9485 -183438.8202 -149225.1727 298.2492 -89.8484 -54.4904 556757.7146 0.5225 0.4913 PRESSURE: 885000 182.901 -114.02 33.8248 -114.018 -30.9025 125.476 33.8243 125.475 230.978 GPRESSURE: 885000 225.242 -19.0934 -11.7459 -128.929 -4.80825 182.594 69.5086 128.302 264.848 PRESSAVG: 885000 -25.6289 31.8151 0.8501 31.8151 -33.9263 57.295 0.850121 57.295 21.6297 GPRESSAVG: 885000 -25.3393 32.8231 1.09756 31.118 -33.1931 57.9968 1.01096 57.1379 21.1664 TIMING: 885000 CPU: 2570.18, 0.00292008/step Wall: 2570.18, 0.00292008/step, 3.33782 hours remaining, 206.039062 MB of memory in use. ENERGY: 885000 709.9930 2111.1565 2002.3633 106.6352 -206232.1736 17856.7162 0.0000 0.0000 34127.2724 -149318.0369 298.0420 -183445.3093 -149223.1698 298.5911 127.6589 161.7604 556594.5937 -12.6418 -12.4553 PRESSURE: 885200 -149.088 40.2402 -135.105 40.2409 -140.756 -38.0174 -135.103 -38.0189 223.468 GPRESSURE: 885200 -88.2454 72.9365 10.1149 45.9551 -97.49 61.0164 -208.248 -53.7681 206.392 PRESSAVG: 885200 -3.24458 -20.0448 -4.61823 -20.0447 -43.8646 19.172 -4.61817 19.172 58.4081 GPRESSAVG: 885200 -2.63953 -19.1549 -3.98715 -20.4451 -45.0835 19.643 -4.453 19.6369 58.628 TIMING: 885200 CPU: 2570.76, 0.00290101/step Wall: 2570.76, 0.00290101/step, 3.31586 hours remaining, 206.039062 MB of memory in use. ENERGY: 885200 711.3785 2120.6313 1981.3079 111.6538 -206439.2580 17993.1341 0.0000 0.0000 34092.0504 -149429.1020 297.7344 -183521.1524 -149324.7135 298.6330 -22.1253 6.8855 557460.2995 3.7663 3.6350 PRESSURE: 885400 15.2102 -184.501 95.2806 -184.5 199.784 10.3507 95.2793 10.3507 182.183 GPRESSURE: 885400 73.0189 -193.748 120.046 -187.661 214.736 83.003 159.961 -55.9423 216.874 PRESSAVG: 885400 -33.4938 -28.1061 44.8418 -28.1061 -30.7139 5.83483 44.8418 5.8349 23.6217 GPRESSAVG: 885400 -33.1049 -29.0397 43.1285 -28.1916 -29.9384 5.21804 44.742 5.10642 22.687 TIMING: 885400 CPU: 2571.34, 0.00290517/step Wall: 2571.34, 0.00290517/step, 3.32045 hours remaining, 206.039062 MB of memory in use. ENERGY: 885400 705.9799 2039.9793 1988.2547 99.9551 -206686.0198 18063.4758 0.0000 0.0000 34369.3631 -149419.0119 300.1562 -183788.3750 -149323.0726 299.0283 132.3925 168.2099 557063.6080 -13.5287 -13.4521 PRESSURE: 885600 169.262 221.947 70.2622 221.947 -48.3748 -297.728 70.2621 -297.726 -123.213 GPRESSURE: 885600 190.502 289.578 18.3101 168.453 -44.5825 -299.445 111.649 -270.667 -59.1345 PRESSAVG: 885600 54.1027 -33.6286 0.0270014 -33.6286 6.89747 -8.73955 0.0269837 -8.73965 -22.028 GPRESSAVG: 885600 52.3258 -34.5514 1.51746 -31.6162 7.43156 -8.64563 -0.852797 -7.79842 -21.3072 TIMING: 885600 CPU: 2571.92, 0.0029006/step Wall: 2571.92, 0.0029006/step, 3.31507 hours remaining, 206.039062 MB of memory in use. ENERGY: 885600 736.8219 2056.7762 1965.7940 114.0584 -206279.3234 17890.4735 0.0000 0.0000 34033.9372 -149481.4621 297.2268 -183515.3994 -149391.8618 298.4689 -0.7751 28.9284 557020.3377 12.9907 12.8167 PRESSURE: 885800 -66.7042 48.626 189.616 48.626 -136.876 124.505 189.617 124.506 44.2909 GPRESSURE: 885800 -11.5652 55.0984 210.925 150.276 -122.27 82.8068 153.795 211.812 55.3713 PRESSAVG: 885800 -44.9204 1.45543 21.6839 1.45539 30.9751 -25.7385 21.6839 -25.7385 -24.688 GPRESSAVG: 885800 -43.7869 1.88894 19.1144 -0.434288 30.0059 -26.1414 23.397 -26.6262 -25.4869 TIMING: 885800 CPU: 2572.5, 0.00289303/step Wall: 2572.5, 0.00289303/step, 3.30626 hours remaining, 206.183594 MB of memory in use. ENERGY: 885800 732.5614 2086.6354 1978.2123 119.1542 -206238.3185 17700.5363 0.0000 0.0000 34128.3255 -149492.8934 298.0512 -183621.2189 -149400.3546 298.1221 -53.0964 -26.1546 557173.1221 -12.8778 -13.0893 PRESSURE: 886000 -189.19 -96.1399 -92.2115 -96.1392 -220.968 -32.7236 -92.2107 -32.7227 -269.983 GPRESSURE: 886000 -214.493 -144.351 -85.7621 -111.669 -188.386 8.16273 -23.4499 11.8468 -180.27 PRESSAVG: 886000 11.12 49.5371 36.552 49.5372 24.1471 10.1466 36.552 10.1465 -25.2197 GPRESSAVG: 886000 10.8268 50.5313 37.4794 48.9852 24.6972 11.7567 35.4559 9.37446 -25.4313 TIMING: 886000 CPU: 2573.08, 0.00290586/step Wall: 2573.08, 0.00290586/step, 3.32075 hours remaining, 206.183594 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: 886000 745.9571 2033.5486 1975.3709 104.1709 -205711.6540 17216.4337 0.0000 0.0000 34068.2195 -149567.9533 297.5262 -183636.1728 -149469.1553 297.8801 -226.7136 -194.3828 558252.0929 3.3491 3.3642 PRESSURE: 886200 -137.197 103.303 -90.6676 103.303 -94.2082 209.038 -90.6686 209.036 -87.3499 GPRESSURE: 886200 -140.102 91.6144 -120.389 111.713 -29.668 228.169 -137.732 200.623 -53.0923 PRESSAVG: 886200 -11.6116 -6.97413 40.1535 -6.97419 11.709 9.12863 40.1536 9.12862 5.89327 GPRESSAVG: 886200 -11.3445 -7.91322 39.9715 -5.74101 11.4393 8.25193 39.0228 11.0275 5.94504 TIMING: 886200 CPU: 2573.66, 0.00290739/step Wall: 2573.66, 0.00290739/step, 3.32234 hours remaining, 206.183594 MB of memory in use. ENERGY: 886200 769.1242 2056.9640 1966.2065 104.4934 -205994.4139 17604.2237 0.0000 0.0000 34068.8235 -149424.5786 297.5315 -183493.4021 -149332.2087 298.2936 -106.2516 -74.2873 556439.3279 1.9969 2.0133 PRESSURE: 886400 -10.3949 266.716 176.183 266.716 84.928 -76.445 176.183 -76.445 -93.7713 GPRESSURE: 886400 12.7009 269.024 195.379 292.324 132.501 20.4999 249.546 -97.8076 -65.0297 PRESSAVG: 886400 -43.8139 34.871 31.8075 34.871 10.3778 -16.0757 31.8077 -16.0756 21.2296 GPRESSAVG: 886400 -44.3182 38.1091 33.5354 32.5673 11.3072 -15.2672 32.2727 -17.2004 20.7335 TIMING: 886400 CPU: 2574.24, 0.00289786/step Wall: 2574.24, 0.00289786/step, 3.31128 hours remaining, 206.253906 MB of memory in use. ENERGY: 886400 736.1805 2115.1106 1970.3998 115.7226 -206169.6606 17871.6389 0.0000 0.0000 33873.1776 -149487.4306 295.8229 -183360.6082 -149396.5367 298.3736 -6.4128 26.7242 557310.2157 -4.0688 -4.0925 PRESSURE: 886600 -0.0335424 -147.712 -168.811 -147.712 13.4623 -78.5994 -168.811 -78.6 83.3979 GPRESSURE: 886600 68.5593 -121.63 -179.354 -95.523 7.10977 -56.0922 -101.605 -122.101 105.544 PRESSAVG: 886600 -13.5541 -7.45642 3.02843 -7.45636 24.2609 -88.3427 3.02839 -88.3426 8.13329 GPRESSAVG: 886600 -13.1084 -9.4166 3.14371 -5.84854 23.8247 -88.5615 3.06943 -85.9077 7.71496 TIMING: 886600 CPU: 2574.82, 0.00291122/step Wall: 2574.82, 0.00291121/step, 3.32639 hours remaining, 206.253906 MB of memory in use. ENERGY: 886600 712.6358 2147.0979 1967.6388 123.3440 -206406.0613 17853.7601 0.0000 0.0000 33939.5570 -149662.0278 296.4026 -183601.5848 -149566.7593 297.3851 32.2756 60.4045 556184.7025 6.2800 6.1438 PRESSURE: 886800 -117.71 -49.5775 69.1315 -49.5781 -139.513 84.4586 69.1311 84.4605 136.953 GPRESSURE: 886800 -112.626 -61.4079 37.2941 -26.4062 -30.6663 35.4023 88.0838 62.2339 115.846 PRESSAVG: 886800 -57.2348 -49.1091 20.9243 -49.1091 -5.14968 -31.3405 20.9243 -31.3405 43.1661 GPRESSAVG: 886800 -57.5944 -48.141 20.0614 -49.8661 -5.19311 -34.2795 21.7891 -30.9726 43.3585 TIMING: 886800 CPU: 2575.4, 0.00290135/step Wall: 2575.4, 0.00290135/step, 3.31495 hours remaining, 206.253906 MB of memory in use. ENERGY: 886800 705.3443 2109.6646 1982.5879 116.0645 -206512.7077 17771.8332 0.0000 0.0000 34152.3784 -149674.8348 298.2612 -183827.2132 -149576.7124 297.8284 -40.0903 -9.1488 557615.8339 -6.4061 -6.4763 PRESSURE: 887000 -33.6315 129.564 -13.6452 129.565 -302.129 2.733 -13.6462 2.73511 -183.498 GPRESSURE: 887000 -5.18214 172.378 21.6334 43.1804 -242.447 59.6499 -71.4771 -48.1654 -169.615 PRESSAVG: 887000 -21.7337 -54.5687 16.3378 -54.5686 71.8041 -43.261 16.3379 -43.2609 -56.9729 GPRESSAVG: 887000 -22.5948 -56.7208 16.4646 -53.4621 71.3152 -41.3393 14.7285 -43.7454 -55.432 TIMING: 887000 CPU: 2575.98, 0.00290144/step Wall: 2575.98, 0.00290144/step, 3.31489 hours remaining, 206.253906 MB of memory in use. ENERGY: 887000 780.0051 2127.8418 1987.4545 118.8405 -206240.5947 17697.2801 0.0000 0.0000 33863.7477 -149665.4250 295.7405 -183529.1726 -149569.4722 297.7442 -173.0861 -139.0812 558324.3568 -2.3008 -2.2372 PRESSURE: 887200 -86.0869 0.0338822 -26.4622 0.0343455 250.517 -113.167 -26.463 -113.168 -308.672 GPRESSURE: 887200 -73.2616 -30.2237 -99.8871 -31.8046 267.744 -90.9198 5.645 -61.371 -225.44 PRESSAVG: 887200 -61.3434 -40.2133 -32.5234 -40.2133 3.04133 -25.0751 -32.5233 -25.0752 31.6871 GPRESSAVG: 887200 -61.5045 -37.9624 -33.1441 -39.4894 3.53343 -25.7777 -30.2101 -25.7872 31.9375 TIMING: 887200 CPU: 2576.56, 0.00287833/step Wall: 2576.56, 0.00287833/step, 3.28833 hours remaining, 206.253906 MB of memory in use. ENERGY: 887200 755.8890 2059.8193 1965.8674 94.6451 -206370.0121 17745.9474 0.0000 0.0000 34062.4993 -149685.3446 297.4763 -183747.8439 -149579.9362 297.7281 -48.0805 -10.3194 557858.9866 -8.8717 -8.6779 PRESSURE: 887400 103.636 -39.1733 -75.6933 -39.1724 -64.7327 68.1255 -75.6936 68.1258 -87.0073 GPRESSURE: 887400 128.735 15.046 -68.8898 3.73039 -4.99145 93.3275 -48.4711 51.3961 -75.4088 PRESSAVG: 887400 25.2506 -20.071 4.09989 -20.0709 -4.22711 -6.50629 4.09995 -6.5061 -35.0632 GPRESSAVG: 887400 25.9326 -21.4179 3.85662 -20.5426 -4.70964 -5.81497 2.52704 -6.84938 -35.6364 TIMING: 887400 CPU: 2577.14, 0.00289197/step Wall: 2577.14, 0.00289197/step, 3.30375 hours remaining, 206.253906 MB of memory in use. ENERGY: 887400 738.4587 2083.4529 1949.1569 104.7119 -206768.4972 17897.8421 0.0000 0.0000 34368.0202 -149626.8545 300.1445 -183994.8747 -149525.3513 298.2768 -16.0346 16.1116 556040.1855 -4.6799 -4.8045 PRESSURE: 887600 261.004 3.55665 139.798 3.55704 316.493 31.053 139.797 31.0521 -41.2012 GPRESSURE: 887600 298.468 165.233 102.794 -129.454 331.598 15.3433 171.323 49.6249 13.8175 PRESSAVG: 887600 -22.2426 -40.5644 -75.997 -40.5644 19.7902 24.8094 -75.997 24.8094 18.3775 GPRESSAVG: 887600 -22.1124 -39.7884 -75.8178 -41.6479 20.4196 25.8365 -74.5535 23.3164 17.6534 TIMING: 887600 CPU: 2577.72, 0.00291172/step Wall: 2577.72, 0.00291172/step, 3.32616 hours remaining, 206.253906 MB of memory in use. ENERGY: 887600 749.9975 2120.8792 1986.7957 107.5249 -206891.9551 18229.0726 0.0000 0.0000 34156.2203 -149541.4648 298.2948 -183697.6851 -149445.5583 298.7368 178.7652 214.6276 556467.0263 5.3084 5.3202 PRESSURE: 887800 149.571 18.0666 -48.042 18.0659 -123.244 -58.811 -48.0418 -58.8106 157.37 GPRESSURE: 887800 172.447 37.0689 -69.7641 -10.8585 -88.7445 -88.0699 -37.2172 -81.7318 197 PRESSAVG: 887800 -2.58713 -40.1586 -74.0438 -40.1586 11.9323 -21.3662 -74.0437 -21.3662 -3.82671 GPRESSAVG: 887800 -2.00773 -40.4113 -74.0808 -39.1938 10.5231 -24.1454 -75.2153 -21.5903 -3.01733 TIMING: 887800 CPU: 2578.3, 0.0029141/step Wall: 2578.3, 0.0029141/step, 3.32871 hours remaining, 206.253906 MB of memory in use. ENERGY: 887800 757.9758 2085.2753 1973.3987 110.2474 -206755.2931 17972.6196 0.0000 0.0000 34177.6454 -149678.1307 298.4819 -183855.7762 -149582.2456 298.5083 61.2325 93.5674 555666.2473 1.8395 1.8327 PRESSURE: 888000 75.0459 -89.3423 6.77922 -89.3408 -19.5184 -116.304 6.78005 -116.305 59.4559 GPRESSURE: 888000 101.346 -59.3714 -20.0272 -131.804 21.3902 -57.2768 39.5052 -38.2841 85.2574 PRESSAVG: 888000 13.2296 5.42238 -32.4875 5.42233 -19.736 2.29889 -32.4874 2.29875 -24.8949 GPRESSAVG: 888000 13.0973 4.90877 -32.3074 5.61643 -18.0674 1.79296 -31.1487 7.31677 -26.2078 TIMING: 888000 CPU: 2578.88, 0.00290683/step Wall: 2578.88, 0.00290683/step, 3.32025 hours remaining, 206.253906 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: 888000 757.0794 2096.6577 1966.9948 119.9806 -206525.2496 17895.8395 0.0000 0.0000 34031.6702 -149657.0274 297.2070 -183688.6977 -149562.0673 298.3502 38.3278 69.3311 555227.9552 -10.4671 -10.3926 PRESSURE: 888200 208.452 90.03 47.4941 90.0303 128.117 160.635 47.496 160.635 -63.2513 GPRESSURE: 888200 249.73 125.331 46.3679 89.0475 148.72 156.814 14.8163 161.51 -25.9634 PRESSAVG: 888200 -7.62644 -22.4918 61.6536 -22.4917 74.9106 -15.1034 61.6535 -15.1033 -14.9111 GPRESSAVG: 888200 -7.08073 -22.9971 59.3928 -21.636 74.4317 -14.6 59.9401 -17.8916 -14.7437 TIMING: 888200 CPU: 2579.46, 0.0029026/step Wall: 2579.46, 0.0029026/step, 3.31525 hours remaining, 206.253906 MB of memory in use. ENERGY: 888200 710.8194 2132.7940 1978.3773 114.1768 -206595.7765 17882.0113 0.0000 0.0000 34358.2562 -149419.3414 300.0592 -183777.5977 -149321.9963 298.4199 91.1059 124.1622 555959.0636 17.4577 17.5358 LDB: ============= START OF LOAD BALANCING ============== 2582.93 LDB: ============== END OF LOAD BALANCING =============== 2582.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2582.93 LDB: ============= START OF LOAD BALANCING ============== 2583.22 LDB: Largest compute 4820 load 0.028044 is 23.9% of average load 0.117548 LDB: Average compute 0.001740 is 1.5% of average load 0.117548 LDB: TIME 2583.23 LOAD: AVG 0.117548 MAX 0.174056 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.918 MB LDB: TIME 2583.23 LOAD: AVG 0.117548 MAX 0.174056 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.918 MB LDB: TIME 2583.23 LOAD: AVG 0.117548 MAX 0.174056 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2583.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2583.23 PRESSURE: 888400 -277.784 129.744 126.696 129.743 135.208 -2.75583 126.695 -2.75679 -142.902 GPRESSURE: 888400 -226.995 156.695 174.007 141.719 85.3698 61.8067 66.8063 -12.3684 -47.6494 PRESSAVG: 888400 -6.99502 -27.5057 -5.1796 -27.5057 2.52604 13.6315 -5.17956 13.6314 -4.02767 GPRESSAVG: 888400 -8.91792 -27.4714 -5.15097 -26.2476 3.66816 16.5104 -3.31755 13.1216 -3.35209 TIMING: 888400 CPU: 2580.06, 0.0029744/step Wall: 2580.06, 0.0029744/step, 3.3971 hours remaining, 206.953125 MB of memory in use. ENERGY: 888400 770.3730 2097.3166 1982.9104 111.6433 -206420.2945 17678.0603 0.0000 0.0000 34238.3861 -149541.6047 299.0123 -183779.9908 -149440.8090 298.6508 -95.1591 -63.0915 556740.9928 -2.8322 -2.8673 PRESSURE: 888600 2.71071 -45.9662 44.6026 -45.9659 -128.528 63.2197 44.6036 63.2191 -96.1041 GPRESSURE: 888600 66.6519 -16.3517 14.8722 -76.3505 -83.7488 138.595 98.1176 12.3637 -103.408 PRESSAVG: 888600 -10.0229 -23.9276 32.42 -23.9277 19.0782 -0.969768 32.42 -0.969832 32.5911 GPRESSAVG: 888600 -7.84698 -22.936 34.069 -25.1172 18.5117 -3.44974 30.0602 -2.81767 31.8884 TIMING: 888600 CPU: 2580.64, 0.00291814/step Wall: 2580.64, 0.00291814/step, 3.33267 hours remaining, 207.480469 MB of memory in use. ENERGY: 888600 752.0389 2138.9561 1978.0696 106.1827 -206444.0164 17824.2638 0.0000 0.0000 34120.8131 -149523.6921 297.9855 -183644.5052 -149430.5801 299.2176 -73.9738 -40.1682 557900.8467 13.8821 14.1844 PRESSURE: 888800 -225.518 88.0003 111.076 87.9994 -109.774 -19.9337 111.077 -19.9351 55.3371 GPRESSURE: 888800 -153.288 126.581 174.489 17.773 -69.2385 44.6351 143.493 -91.0047 49.712 PRESSAVG: 888800 -19.5615 1.39616 60.153 1.3961 -50.7007 -15.5546 60.1532 -15.5547 64.9151 GPRESSAVG: 888800 -20.5828 0.772319 59.6406 1.04086 -50.0011 -16.3904 59.5812 -13.4995 65.2295 TIMING: 888800 CPU: 2581.23, 0.00294197/step Wall: 2581.23, 0.00294197/step, 3.35973 hours remaining, 207.480469 MB of memory in use. ENERGY: 888800 742.8442 2057.3462 1976.1055 116.6068 -206507.8904 17972.6991 0.0000 0.0000 34111.4774 -149530.8111 297.9040 -183642.2885 -149434.2354 298.6845 -93.3180 -57.6048 557984.8566 -1.7823 -1.7848 PRESSURE: 889000 52.1855 -133.272 145.281 -133.273 9.44362 -82.7764 145.281 -82.7763 -85.4788 GPRESSURE: 889000 74.5939 -163.209 91.1945 -192.314 11.4485 -107.471 214.501 -182.334 -23.9394 PRESSAVG: 889000 -27.0803 -28.3763 10.553 -28.3763 13.7297 -55.4917 10.5529 -55.4918 12.8768 GPRESSAVG: 889000 -27.6937 -27.5106 12.0526 -27.423 13.1943 -54.5848 10.5986 -55.1339 14.049 TIMING: 889000 CPU: 2581.82, 0.00294408/step Wall: 2581.82, 0.00294408/step, 3.36198 hours remaining, 207.480469 MB of memory in use. ENERGY: 889000 785.2172 2141.5036 1981.2232 104.6470 -206491.9370 17858.6440 0.0000 0.0000 34353.4070 -149267.2950 300.0168 -183620.7020 -149168.0307 298.8439 -7.9499 20.7010 558518.3263 -0.1579 -0.1501 PRESSURE: 889200 46.5025 -157 -50.173 -157.002 156.303 158.964 -50.1722 158.965 -203.194 GPRESSURE: 889200 68.0853 -35.1659 -138.593 -148.652 164.871 186.318 -79.732 203.833 -142.302 PRESSAVG: 889200 -1.03088 -4.71067 -36.5754 -4.71073 35.764 -22.5964 -36.5753 -22.5964 3.26132 GPRESSAVG: 889200 -0.948851 -4.10266 -36.6752 -6.2163 36.1237 -22.9906 -36.3928 -22.9253 2.51614 TIMING: 889200 CPU: 2582.4, 0.00292191/step Wall: 2582.4, 0.00292191/step, 3.3365 hours remaining, 207.480469 MB of memory in use. ENERGY: 889200 755.9394 2131.4719 1958.4423 101.0193 -206424.6062 17948.3029 0.0000 0.0000 34190.5675 -149338.8630 298.5947 -183529.4305 -149242.7627 298.7106 -0.1296 30.2184 556962.9688 12.6648 12.5637 PRESSURE: 889400 -176.447 -22.9466 -14.1453 -22.9468 -7.22304 -126.889 -14.1455 -126.89 59.605 GPRESSURE: 889400 -118.233 -6.30427 36.9306 -24.6787 75.7961 -46.4093 -99.6393 -182.305 15.1378 PRESSAVG: 889400 -3.4131 -8.78621 -19.1179 -8.78622 8.34054 -2.06097 -19.1179 -2.06099 -38.5932 GPRESSAVG: 889400 -3.86435 -7.54783 -19.0519 -9.18833 9.17788 0.635038 -18.78 -3.55691 -38.6613 TIMING: 889400 CPU: 2582.98, 0.0029073/step Wall: 2582.98, 0.0029073/step, 3.31965 hours remaining, 207.480469 MB of memory in use. ENERGY: 889400 764.1707 2121.2882 1953.4649 110.3574 -206284.8826 17850.7378 0.0000 0.0000 34239.7630 -149245.1006 299.0244 -183484.8636 -149149.4109 298.3386 -41.3550 -9.0997 557048.4990 -11.2219 -11.1159 PRESSURE: 889600 -179.72 -3.29673 -87.3598 -3.29717 -325.919 -111.102 -87.3591 -111.101 -360.932 GPRESSURE: 889600 -179.143 1.13641 -220.204 -28.8674 -260.984 -143.796 43.4162 -54.8964 -331.616 PRESSAVG: 889600 -20.1326 6.87404 -8.08847 6.87412 16.5862 -70.5736 -8.08836 -70.5735 -43.3897 GPRESSAVG: 889600 -21.2709 6.14561 -8.93835 7.88997 16.7415 -73.3477 -8.59074 -66.32 -42.3252 TIMING: 889600 CPU: 2583.57, 0.00290296/step Wall: 2583.57, 0.00290296/step, 3.31454 hours remaining, 207.480469 MB of memory in use. ENERGY: 889600 739.5092 2058.8356 1959.3372 116.7320 -205774.3122 17508.4903 0.0000 0.0000 33999.6290 -149391.7788 296.9272 -183391.4078 -149299.5921 298.7529 -288.8570 -257.2478 558645.0925 -15.6454 -15.6182 PRESSURE: 889800 -36.3489 -20.6573 -9.65405 -20.6559 -125.122 -101.424 -9.65356 -101.423 48.1422 GPRESSURE: 889800 14.9852 -35.3234 -6.63508 91.4921 -110.097 4.49433 -19.692 -101.709 102.247 PRESSAVG: 889800 74.7832 -9.6062 22.4232 -9.60624 34.8946 -43.6556 22.4232 -43.6555 -82.6786 GPRESSAVG: 889800 76.4579 -9.99226 20.934 -10.2258 33.8648 -44.2921 23.6188 -43.8773 -82.8864 TIMING: 889800 CPU: 2584.15, 0.00290738/step Wall: 2584.15, 0.00290738/step, 3.31942 hours remaining, 207.480469 MB of memory in use. ENERGY: 889800 765.1846 2063.7826 1982.6031 126.4242 -206109.7165 17742.1080 0.0000 0.0000 34021.2117 -149408.4023 297.1157 -183429.6140 -149306.1502 298.6569 -37.7762 2.3784 556641.1392 8.9997 9.1454 PRESSURE: 890000 -232.02 17.7163 72.5495 17.713 139.007 -43.5526 72.5492 -43.5526 -122.282 GPRESSURE: 890000 -237.238 32.3629 98.2453 67.8049 206.458 -12.5171 30.0574 -105.568 -72.2308 PRESSAVG: 890000 -30.7823 27.7484 57.3391 27.7483 -22.8335 -26.0228 57.3392 -26.0228 -0.380795 GPRESSAVG: 890000 -31.9671 27.9347 58.5249 27.7389 -22.3869 -24.721 57.0858 -30.17 -0.684089 TIMING: 890000 CPU: 2584.73, 0.00292606/step Wall: 2584.73, 0.00292606/step, 3.34059 hours remaining, 207.480469 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: 890000 727.4865 2091.4343 1988.4675 123.2218 -206113.2165 17600.4005 0.0000 0.0000 34242.0360 -149340.1699 299.0442 -183582.2059 -149251.3067 298.8071 -71.7650 -34.3368 556793.9071 -17.9989 -18.3460 PRESSURE: 890200 -8.82101 -16.0078 125.249 -16.0066 118.499 199.89 125.249 199.89 39.1006 GPRESSURE: 890200 16.5063 -10.6766 106.664 -94.764 181.881 168.962 174.713 234.979 34.9853 PRESSAVG: 890200 -19.8474 -22.8015 -3.18044 -22.8014 37.3145 3.72061 -3.18049 3.72057 -10.9576 GPRESSAVG: 890200 -20.2078 -23.4662 -2.6752 -24.2791 36.882 3.3076 -3.68981 6.52701 -10.0844 TIMING: 890200 CPU: 2585.32, 0.00292019/step Wall: 2585.32, 0.00292019/step, 3.33372 hours remaining, 207.480469 MB of memory in use. ENERGY: 890200 741.4601 2106.7822 1954.2715 108.4785 -206204.1642 17848.4173 0.0000 0.0000 34004.1430 -149440.6116 296.9666 -183444.7546 -149343.1505 297.9366 49.5930 77.7910 557080.4578 2.1698 2.1966 PRESSURE: 890400 -103.267 58.3673 91.5233 58.369 -237.788 163.338 91.5238 163.339 -165.245 GPRESSURE: 890400 -8.1516 76.3664 105.47 12.4613 -266.102 70.3017 136.531 179.491 -145.314 PRESSAVG: 890400 23.2949 -49.9223 36.972 -49.9223 -6.85671 74.6246 36.972 74.6246 -19.1133 GPRESSAVG: 890400 24.5022 -50.8224 36.1194 -48.3315 -7.3171 73.3472 38.9537 73.8196 -20.7374 TIMING: 890400 CPU: 2585.9, 0.00293204/step Wall: 2585.9, 0.00293204/step, 3.34709 hours remaining, 207.480469 MB of memory in use. ENERGY: 890400 751.7036 2091.6792 1956.8646 130.4719 -206075.3395 17654.2900 0.0000 0.0000 33982.6086 -149507.7216 296.7786 -183490.3302 -149411.5891 298.2436 -168.7664 -139.8557 558563.2777 -0.8917 -1.1841 PRESSURE: 890600 -170.763 21.5058 44.1465 21.5057 26.8117 -188.32 44.1453 -188.32 -221.796 GPRESSURE: 890600 -159.741 63.9829 42.6088 -1.57916 67.1012 -237.654 12.6164 -196.768 -184.224 PRESSAVG: 890600 -24.9842 -62.5892 86.9134 -62.5892 22.5024 -16.9154 86.9135 -16.9153 -4.43249 GPRESSAVG: 890600 -25.1875 -61.4584 87.4703 -62.2437 22.356 -14.7164 84.764 -18.2502 -4.22409 TIMING: 890600 CPU: 2586.48, 0.00289711/step Wall: 2586.48, 0.00289711/step, 3.30705 hours remaining, 207.480469 MB of memory in use. ENERGY: 890600 760.0480 2103.8217 1967.4585 117.7858 -206431.7547 17802.2547 0.0000 0.0000 34129.3491 -149551.0368 298.0601 -183680.3859 -149455.4049 297.3009 -121.9156 -92.2882 557566.1478 -2.3048 -2.3519 PRESSURE: 890800 -233.243 22.0871 -167.941 22.0874 53.6645 55.8546 -167.941 55.8556 26.7562 GPRESSURE: 890800 -226.823 60.9745 -160.223 46.2134 124.062 -44.1289 -104.206 15.1065 38.1034 PRESSAVG: 890800 20.9917 -30.1519 -27.8564 -30.1518 38.1214 -87.6808 -27.8564 -87.6808 -66.5141 GPRESSAVG: 890800 19.8314 -30.4517 -29.1875 -29.3726 38.5569 -89.7796 -25.7212 -85.6876 -65.9676 TIMING: 890800 CPU: 2587.06, 0.00290897/step Wall: 2587.06, 0.00290897/step, 3.32043 hours remaining, 207.480469 MB of memory in use. ENERGY: 890800 724.3791 2139.4878 1949.4346 117.4449 -206223.6520 17862.9712 0.0000 0.0000 34247.9885 -149181.9458 299.0962 -183429.9343 -149097.0838 299.0712 -50.9407 -21.5528 558657.1539 -2.4670 -2.5264 PRESSURE: 891000 -42.0191 -157.386 -58.1918 -157.386 -167.867 16.3718 -58.1923 16.3707 -115.045 GPRESSURE: 891000 -41.9287 -122.388 -31.0928 -173.594 -77.9428 23.5238 -121.008 23.4234 -100.694 PRESSAVG: 891000 47.1645 -16.1691 -10.9753 -16.169 -30.0042 -15.4251 -10.9753 -15.4251 -6.20789 GPRESSAVG: 891000 48.5983 -14.8738 -11.2351 -17.7746 -30.7413 -14.0921 -11.9637 -16.2565 -6.46641 TIMING: 891000 CPU: 2587.64, 0.00288021/step Wall: 2587.64, 0.00288021/step, 3.28743 hours remaining, 207.480469 MB of memory in use. ENERGY: 891000 747.9231 2091.8111 1947.2924 114.2830 -206150.1682 17864.5130 0.0000 0.0000 34366.5978 -149017.7478 300.1320 -183384.3456 -148920.6973 299.8880 -108.3102 -73.5219 559005.0356 3.6508 3.7969 PRESSURE: 891200 -93.1627 -0.624246 -70.2434 -0.623754 20.1691 -39.5088 -70.2448 -39.5086 -128.207 GPRESSURE: 891200 -77.766 33.2592 -2.04555 -13.7723 36.4185 -45.0864 -177.132 40.2445 -72.3664 PRESSAVG: 891200 77.155 -13.3106 20.4892 -13.3105 -21.4377 15.7607 20.4891 15.7609 -60.067 GPRESSAVG: 891200 76.7785 -15.1091 22.6448 -11.5143 -20.1626 16.5581 19.7129 14.7484 -61.0448 TIMING: 891200 CPU: 2588.22, 0.00289813/step Wall: 2588.22, 0.00289813/step, 3.30774 hours remaining, 207.480469 MB of memory in use. ENERGY: 891200 740.7238 2042.6227 1951.3369 107.8647 -205993.6215 17713.2710 0.0000 0.0000 34293.0446 -149144.7578 299.4897 -183437.8023 -149044.6964 299.3684 -67.0670 -37.9046 558080.1188 -1.4499 -1.4763 PRESSURE: 891400 35.2024 -38.5928 116.143 -38.5933 -50.9546 -12.6306 116.145 -12.6303 174.331 GPRESSURE: 891400 62.8116 -61.3505 81.111 -45.5931 2.34483 -13.3274 176.607 12.7474 191.521 PRESSAVG: 891400 33.341 -39.8483 -0.654695 -39.8483 -22.7339 4.5702 -0.654804 4.5703 -0.647187 GPRESSAVG: 891400 33.8931 -38.238 -2.01846 -43.0653 -24.4563 3.13153 -1.06447 6.46104 0.555531 TIMING: 891400 CPU: 2588.8, 0.00289645/step Wall: 2588.8, 0.00289645/step, 3.30565 hours remaining, 207.480469 MB of memory in use. ENERGY: 891400 759.7982 2119.5897 1967.5984 120.0383 -206021.8663 17896.9194 0.0000 0.0000 34180.2415 -148977.6808 298.5046 -183157.9223 -148879.8916 299.3690 52.8596 85.5592 558979.6398 3.3200 3.3308 PRESSURE: 891600 -113.356 -155.532 -21.8485 -155.532 135.096 11.4232 -21.8492 11.4227 -139.571 GPRESSURE: 891600 -96.0124 -53.6316 74.4055 -139.525 186.768 -47.9248 -60.1391 21.932 -108.563 PRESSAVG: 891600 47.539 -3.88577 16.4547 -3.8858 -24.4367 -22.4133 16.4548 -22.4133 -37.8246 GPRESSAVG: 891600 47.2003 -5.08353 15.6052 -3.00335 -24.1573 -21.2345 17.3042 -22.9587 -37.2444 TIMING: 891600 CPU: 2589.38, 0.00289547/step Wall: 2589.38, 0.00289547/step, 3.30438 hours remaining, 207.480469 MB of memory in use. ENERGY: 891600 767.3389 2082.4721 1946.2121 103.8820 -206277.3267 17973.8435 0.0000 0.0000 34431.4871 -148972.0911 300.6987 -183403.5782 -148866.1536 299.8429 -39.2769 -5.9360 558135.0173 -4.9074 -4.7338 PRESSURE: 891800 -176.726 191.711 256.285 191.712 -43.648 -27.8075 256.287 -27.8074 -277.462 GPRESSURE: 891800 -143.835 201.387 352.198 121.545 11.3685 56.338 175.858 -44.0476 -263.259 PRESSAVG: 891800 -44.5702 9.46042 -15.7045 9.46043 24.4199 20.7369 -15.7044 20.7368 28.1445 GPRESSAVG: 891800 -45.0266 9.6745 -14.3588 9.38442 25.5013 20.8565 -15.9277 19.6427 27.4959 TIMING: 891800 CPU: 2589.96, 0.00290731/step Wall: 2589.96, 0.00290731/step, 3.31772 hours remaining, 207.480469 MB of memory in use. ENERGY: 891800 801.8652 2146.6174 1960.9016 123.0213 -205972.7014 17683.2370 0.0000 0.0000 34326.6221 -148930.4368 299.7829 -183257.0589 -148823.1791 300.3031 -165.9454 -131.9085 558279.0517 2.6648 2.6569 PRESSURE: 892000 11.5891 45.3981 3.75192 45.3981 -270.952 -239.582 3.75369 -239.584 -105.844 GPRESSURE: 892000 48.4649 122.529 115.941 -57.9727 -260.259 -398.664 -43.9998 -224.277 -43.743 PRESSAVG: 892000 -7.614 34.4132 -1.56883 34.4132 -17.7923 1.09052 -1.56879 1.09056 49.1106 GPRESSAVG: 892000 -8.55572 35.6269 -1.29828 34.8655 -15.9855 0.765059 0.881001 2.10535 48.7857 TIMING: 892000 CPU: 2590.54, 0.00289314/step Wall: 2590.54, 0.00289314/step, 3.30139 hours remaining, 207.480469 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: 892000 767.5936 2152.3220 1969.8161 121.7698 -206248.4265 17777.2705 0.0000 0.0000 34603.8184 -148855.8362 302.2038 -183459.6546 -148762.3270 300.6184 -121.7357 -85.1792 557284.1162 7.9014 8.0815 PRESSURE: 892200 219.449 18.6691 69.8059 18.6687 40.4939 -78.8057 69.8059 -78.8066 55.3657 GPRESSURE: 892200 213.91 -23.1025 53.8744 3.27489 129.463 -137.092 62.5544 -63.6612 69.6221 PRESSAVG: 892200 -19.3696 38.5392 -13.8775 38.5391 -38.4495 -36.8829 -13.8775 -36.883 30.9346 GPRESSAVG: 892200 -18.083 36.1549 -13.8758 39.2744 -40.0618 -36.7011 -14.5886 -36.9695 31.479 TIMING: 892200 CPU: 2591.12, 0.002899/step Wall: 2591.12, 0.002899/step, 3.30792 hours remaining, 207.550781 MB of memory in use. ENERGY: 892200 735.4146 2111.2580 1956.3065 103.7784 -206326.9285 17942.2452 0.0000 0.0000 34545.7561 -148932.1697 301.6967 -183477.9259 -148835.4898 300.9666 105.1029 137.6650 556790.6628 -8.9615 -8.8886 LDB: ============= START OF LOAD BALANCING ============== 2594.58 LDB: ============== END OF LOAD BALANCING =============== 2594.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2594.58 LDB: ============= START OF LOAD BALANCING ============== 2594.87 LDB: Largest compute 4820 load 0.028306 is 24.1% of average load 0.117618 LDB: Average compute 0.001742 is 1.5% of average load 0.117618 LDB: TIME 2594.88 LOAD: AVG 0.117618 MAX 0.177623 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 2594.88 LOAD: AVG 0.117618 MAX 0.177623 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.664 MB LDB: TIME 2594.88 LOAD: AVG 0.117618 MAX 0.177623 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.664 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2594.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2594.88 PRESSURE: 892400 -28.5814 13.0557 -314.733 13.0559 -55.4804 94.3079 -314.734 94.3087 -48.1281 GPRESSURE: 892400 -0.0699865 76.5958 -246.08 -19.3068 -67.4024 112.014 -309.813 24.9036 20.5438 PRESSAVG: 892400 82.5132 25.0683 4.43972 25.0683 -44.3207 -29.083 4.43969 -29.0829 1.29767 GPRESSAVG: 892400 82.6864 25.8668 4.04233 24.8207 -44.2523 -29.183 2.10116 -29.2027 0.719455 TIMING: 892400 CPU: 2591.71, 0.00294994/step Wall: 2591.71, 0.00294994/step, 3.36589 hours remaining, 205.218750 MB of memory in use. ENERGY: 892400 743.8499 2129.8293 1974.3442 113.3269 -205882.9578 17665.6080 0.0000 0.0000 34349.0429 -148906.9565 299.9787 -183255.9995 -148804.6095 300.6717 -44.0633 -15.6429 558142.5481 13.1634 13.0512 PRESSURE: 892600 -118.571 -84.7544 23.4499 -84.7542 69.2915 -60.7892 23.4503 -60.7898 52.9291 GPRESSURE: 892600 -88.2725 -206.675 85.1781 -53.479 84.6538 -18.1559 16.8843 -29.4347 105.987 PRESSAVG: 892600 -30.1995 -66.5242 -35.5198 -66.5243 40.7609 7.43221 -35.5198 7.43223 -7.13134 GPRESSAVG: 892600 -30.1635 -68.0495 -35.4791 -64.8763 40.7977 5.46506 -33.8546 9.44019 -7.31482 TIMING: 892600 CPU: 2592.29, 0.00289818/step Wall: 2592.29, 0.00289818/step, 3.30666 hours remaining, 205.417969 MB of memory in use. ENERGY: 892600 718.8036 2141.9901 1956.2359 120.5987 -206052.1005 17784.2042 0.0000 0.0000 34231.6828 -149098.5852 298.9538 -183330.2679 -148997.2420 299.9757 1.2164 34.1227 556159.9898 1.1434 1.1064 PRESSURE: 892800 2.91288 69.7278 183.211 69.7264 -164.525 27.6401 183.21 27.6402 -308.032 GPRESSURE: 892800 54.5952 45.304 194.421 22.2145 -144.138 57.8211 200.908 27.5125 -284.205 PRESSAVG: 892800 -37.2592 -26.6073 -26.524 -26.6072 -13.9885 -31.8445 -26.524 -31.8445 15.9058 GPRESSAVG: 892800 -38.9432 -26.1346 -25.7661 -27.4089 -13.2656 -30.8918 -27.6544 -31.386 16.2264 TIMING: 892800 CPU: 2592.86, 0.00287992/step Wall: 2592.86, 0.00287992/step, 3.28566 hours remaining, 205.417969 MB of memory in use. ENERGY: 892800 743.1773 2063.3468 1990.6444 122.3855 -206134.0483 17613.8037 0.0000 0.0000 34408.7255 -149191.9652 300.5000 -183600.6906 -149095.0078 299.7297 -156.5480 -124.5825 557809.3357 -11.7806 -11.9941 PRESSURE: 893000 -321.36 19.0486 -44.2521 19.049 -352.505 -104.342 -44.2522 -104.341 -238.49 GPRESSURE: 893000 -299.044 -72.9876 -109.85 43.0819 -261.543 -51.4526 -17.017 -167.552 -265.052 PRESSAVG: 893000 7.9911 -16.9176 -16.1968 -16.9177 32.4879 -17.9967 -16.1967 -17.9966 -46.7664 GPRESSAVG: 893000 9.82032 -16.9364 -16.097 -17.53 31.9781 -15.0035 -14.9345 -18.7996 -47.2781 TIMING: 893000 CPU: 2593.45, 0.00291302/step Wall: 2593.45, 0.00291302/step, 3.32327 hours remaining, 205.417969 MB of memory in use. ENERGY: 893000 780.7512 2100.5438 1962.7764 111.9118 -205640.8838 17460.6943 0.0000 0.0000 34107.9603 -149116.2460 297.8733 -183224.2063 -149021.9725 299.5650 -304.1184 -275.2128 560362.6403 -2.0958 -1.8266 PRESSURE: 893200 16.085 110.853 -67.3833 110.854 -244.688 102.342 -67.3837 102.341 -81.1934 GPRESSURE: 893200 53.0729 66.4731 -40.2535 24.2827 -234.98 152.855 -72.0435 88.5876 -39.6424 PRESSAVG: 893200 -15.0095 -25.7065 -2.5369 -25.7065 -22.9765 -7.31125 -2.537 -7.31115 28.7838 GPRESSAVG: 893200 -15.1137 -24.4826 -1.06086 -25.9067 -21.9823 -11.0359 -1.80096 -7.08674 27.9758 TIMING: 893200 CPU: 2594.03, 0.00292776/step Wall: 2594.03, 0.00292776/step, 3.33992 hours remaining, 205.417969 MB of memory in use. ENERGY: 893200 764.9555 2081.4939 1993.4939 116.5520 -206298.7438 17804.4565 0.0000 0.0000 34314.2491 -149223.5429 299.6749 -183537.7920 -149127.7051 299.8595 -103.2655 -73.8498 558965.3368 -3.0674 -3.0401 PRESSURE: 893400 87.9995 28.6419 -8.16109 28.6421 16.3776 -141.631 -8.16179 -141.632 8.03226 GPRESSURE: 893400 106.172 -48.3756 37.9907 45.3636 75.9591 -105.55 -123.931 -207.31 20.401 PRESSAVG: 893400 -30.8295 -77.2881 -11.3948 -77.2882 23.4552 2.75036 -11.3949 2.75035 18.1311 GPRESSAVG: 893400 -31.8883 -76.4237 -11.6976 -78.2195 23.3676 5.9428 -14.5343 0.77662 19.5089 TIMING: 893400 CPU: 2594.62, 0.00292881/step Wall: 2594.62, 0.00292881/step, 3.34096 hours remaining, 205.417969 MB of memory in use. ENERGY: 893400 748.1074 2082.6890 1974.0932 129.9315 -206048.9661 17840.8075 0.0000 0.0000 34285.0944 -148988.2431 299.4203 -183273.3375 -148892.0673 299.0171 37.4698 67.5107 559845.6004 3.5856 3.6627 PRESSURE: 893600 19.5704 -160.835 -63.3133 -160.836 15.6065 26.0735 -63.3135 26.0743 354.305 GPRESSURE: 893600 61.258 -57.2342 -81.5247 -102.488 117.292 -95.9999 -61.8468 93.4977 296.54 PRESSAVG: 893600 17.4666 -19.3297 -20.1673 -19.3297 28.8012 17.588 -20.1674 17.588 7.93886 GPRESSAVG: 893600 17.6636 -20.9275 -19.7887 -19.9479 29.3962 16.4274 -19.797 18.6291 7.10474 TIMING: 893600 CPU: 2595.2, 0.00291273/step Wall: 2595.2, 0.00291273/step, 3.32246 hours remaining, 205.417969 MB of memory in use. ENERGY: 893600 748.4404 2125.9369 1953.7475 117.1172 -206345.7349 18040.9940 0.0000 0.0000 34325.9656 -149033.5333 299.7772 -183359.4989 -148934.4546 299.4937 129.8274 158.3631 558075.2312 18.0689 18.0549 PRESSURE: 893800 -143.938 207.239 77.283 207.239 -185.434 -104.752 77.2832 -104.753 -17.9891 GPRESSURE: 893800 -98.1505 239.447 48.5612 198.59 -134.405 -140.886 128.617 -67.8198 -5.90662 PRESSAVG: 893800 23.6221 -30.5637 -8.2681 -30.5637 -45.247 -14.9264 -8.2681 -14.9264 54.9816 GPRESSAVG: 893800 24.5672 -29.9277 -8.41315 -28.7544 -46.5129 -16.8732 -8.76672 -13.0889 55.0786 TIMING: 893800 CPU: 2595.78, 0.00289178/step Wall: 2595.78, 0.00289178/step, 3.2984 hours remaining, 205.417969 MB of memory in use. ENERGY: 893800 760.1557 2078.6423 1943.4682 126.8245 -205916.9419 17626.3865 0.0000 0.0000 34269.4730 -149111.9916 299.2838 -183381.4646 -149019.0039 299.4175 -115.7869 -79.4873 558360.3187 11.1189 11.0443 PRESSURE: 894000 46.2282 -17.9636 -139.636 -17.9643 8.12875 26.4743 -139.636 26.4741 156.886 GPRESSURE: 894000 64.7022 -64.6667 -96.9239 54.8465 45.9164 109.649 -116.534 -63.4522 197.159 PRESSAVG: 894000 -13.1377 15.5482 -36.0174 15.5481 -11.8512 27.7098 -36.0173 27.7097 -11.5581 GPRESSAVG: 894000 -13.4771 12.4852 -36.6261 18.1853 -11.8678 29.8844 -35.3078 27.0489 -10.7757 TIMING: 894000 CPU: 2596.36, 0.00291479/step Wall: 2596.36, 0.00291479/step, 3.32448 hours remaining, 205.488281 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: 894000 762.3547 2080.2073 1957.0149 128.6710 -206305.8726 17887.8399 0.0000 0.0000 34266.8590 -149222.9258 299.2610 -183489.7848 -149120.6130 300.0377 70.4144 102.5925 556454.9265 -12.1823 -12.0402 PRESSURE: 894200 -297.94 139.553 56.8562 139.555 -288.412 -0.245425 56.8547 -0.244837 -118.25 GPRESSURE: 894200 -241.43 263.801 23.3674 77.0754 -295.854 30.8039 48.3949 2.42229 -76.5124 PRESSAVG: 894200 12.9783 -29.5823 -21.958 -29.5822 -71.3087 57.8875 -21.9579 57.8874 39.5272 GPRESSAVG: 894200 11.5775 -24.8108 -23.0018 -33.8725 -70.609 57.7082 -20.0942 57.016 40.0445 TIMING: 894200 CPU: 2596.94, 0.00289062/step Wall: 2596.94, 0.00289062/step, 3.29675 hours remaining, 205.488281 MB of memory in use. ENERGY: 894200 777.0769 2066.4990 1999.7377 105.5125 -205850.5302 17413.1482 0.0000 0.0000 34228.1000 -149260.4559 298.9225 -183488.5559 -149158.9486 299.2862 -234.8676 -204.5988 559621.9915 -6.2677 -6.3290 PRESSURE: 894400 -282.954 -89.4226 120.486 -89.4218 -246.671 -31.4151 120.485 -31.4151 -185.455 GPRESSURE: 894400 -201.394 -53.035 73.3879 -193.034 -237.815 -31.7253 106.793 -28.1366 -178.127 PRESSAVG: 894400 4.35152 43.2143 -24.8692 43.2143 -22.9456 16.3373 -24.8691 16.3373 56.0353 GPRESSAVG: 894400 6.44874 40.4733 -23.7567 44.462 -23.6665 17.2021 -26.7776 16.6044 54.6902 TIMING: 894400 CPU: 2597.52, 0.00289404/step Wall: 2597.52, 0.00289404/step, 3.30049 hours remaining, 205.488281 MB of memory in use. ENERGY: 894400 773.8428 2086.8005 1972.1997 128.1724 -206083.8877 17684.5003 0.0000 0.0000 34227.7530 -149210.6191 298.9195 -183438.3720 -149112.2005 298.9498 -238.3600 -205.7788 559742.2881 12.4804 12.4908 PRESSURE: 894600 149.836 -115.963 20.6059 -115.961 150.616 118.676 20.606 118.677 211.673 GPRESSURE: 894600 212.859 -119.57 8.53341 -150.59 184.848 57.1985 20.5379 158.253 226.23 PRESSAVG: 894600 -25.7949 -47.5547 4.77968 -47.5547 -27.5249 26.5269 4.77972 26.5271 35.3832 GPRESSAVG: 894600 -25.9952 -47.1721 5.06986 -46.9329 -27.3361 27.5733 3.65107 24.5679 36.1293 TIMING: 894600 CPU: 2598.09, 0.00288044/step Wall: 2598.09, 0.00288044/step, 3.28482 hours remaining, 205.488281 MB of memory in use. ENERGY: 894600 758.7015 2093.7078 1963.9371 108.3553 -206490.4444 18180.4192 0.0000 0.0000 34152.4171 -149232.9064 298.2616 -183385.3235 -149141.4632 299.5251 170.7083 207.9787 557964.9146 -5.9789 -5.7340 PRESSURE: 894800 187.641 -23.6175 -80.4643 -23.6184 15.5274 17.2478 -80.465 17.2444 -203.935 GPRESSURE: 894800 216.032 11.0005 -103.74 36.7222 83.2743 20.193 -1.50481 16.6044 -199.12 PRESSAVG: 894800 -10.2812 15.7714 -31.1211 15.7715 14.3811 15.8835 -31.1211 15.8835 34.9117 GPRESSAVG: 894800 -9.605 14.9466 -31.6245 18.1273 14.7086 14.5993 -28.2151 16.2839 34.06 TIMING: 894800 CPU: 2598.68, 0.00291492/step Wall: 2598.68, 0.00291492/step, 3.32398 hours remaining, 205.488281 MB of memory in use. ENERGY: 894800 713.5290 2110.0279 1938.0516 101.7382 -206278.3785 17780.3703 0.0000 0.0000 34217.4228 -149417.2388 298.8293 -183634.6616 -149322.6122 298.5402 -0.2557 33.3955 558468.3605 13.0039 13.0545 PRESSURE: 895000 -16.6189 103.932 5.95848 103.933 -146.376 25.803 5.95732 25.8025 -70.9875 GPRESSURE: 895000 -25.0352 122.297 -31.1254 81.5904 -90.0033 28.2549 18.1545 87.3396 -31.285 PRESSAVG: 895000 -3.97561 46.9865 -44.697 46.9866 -19.0994 -2.27003 -44.697 -2.26995 51.0808 GPRESSAVG: 895000 -4.45205 47.4808 -46.8184 44.723 -19.8991 -3.68227 -44.9738 -0.349742 51.7601 TIMING: 895000 CPU: 2599.26, 0.00289687/step Wall: 2599.26, 0.00289687/step, 3.30323 hours remaining, 205.488281 MB of memory in use. ENERGY: 895000 703.1093 2107.3197 1962.1351 119.4944 -206406.9499 17791.0193 0.0000 0.0000 34418.8162 -149305.0559 300.5881 -183723.8721 -149216.0175 298.4324 -77.9941 -48.7745 557476.5531 9.3353 9.1363 PRESSURE: 895200 -107.795 110.007 -28.0765 110.008 -31.7997 -8.61475 -28.0765 -8.61421 304.214 GPRESSURE: 895200 -83.1398 106.053 -94.5945 129.49 55.8979 -23.6507 -31.1525 26.1892 288.506 PRESSAVG: 895200 23.0795 -20.9239 -50.7146 -20.9239 -72.6312 20.2281 -50.7146 20.2281 46.7688 GPRESSAVG: 895200 22.8352 -21.911 -49.945 -20.3698 -73.2533 19.899 -51.8877 21.0088 47.2947 TIMING: 895200 CPU: 2599.84, 0.00289975/step Wall: 2599.84, 0.00289975/step, 3.30636 hours remaining, 205.488281 MB of memory in use. ENERGY: 895200 728.1542 2106.8571 1989.2774 108.9538 -206572.2997 17779.9874 0.0000 0.0000 34424.2228 -149434.8471 300.6353 -183859.0699 -149332.6346 299.0117 54.8732 87.0879 556908.8359 -0.9276 -1.0411 PRESSURE: 895400 -126.004 -261.923 21.3037 -261.922 95.0309 24.5823 21.3045 24.5801 220.378 GPRESSURE: 895400 -112.117 -314.252 64.6787 -156.486 134.594 18.5763 -31.9 -5.27381 258.114 PRESSAVG: 895400 6.33311 -46.6232 3.00247 -46.6232 -10.0069 -3.868 3.00245 -3.86805 17.1615 GPRESSAVG: 895400 7.0232 -47.5506 3.36499 -45.4213 -9.95514 -4.86119 4.18265 -5.21392 16.2357 TIMING: 895400 CPU: 2600.42, 0.00291816/step Wall: 2600.42, 0.00291816/step, 3.32719 hours remaining, 205.488281 MB of memory in use. ENERGY: 895400 785.0599 2103.1287 1955.6876 118.1757 -206536.6942 17932.2919 0.0000 0.0000 34011.6234 -149630.7270 297.0320 -183642.3504 -149538.4037 298.0614 63.1352 93.5302 556769.3318 4.4959 4.4346 PRESSURE: 895600 241.118 -9.88514 24.694 -9.88488 3.72197 -66.5421 24.6942 -66.5432 307.782 GPRESSURE: 895600 275.27 39.2821 70.0339 -57.3224 9.14315 35.506 42.063 -116.968 363.791 PRESSAVG: 895600 -68.8918 -96.3279 -7.54498 -96.3279 -3.97641 31.3462 -7.54501 31.3462 73.2036 GPRESSAVG: 895600 -69.8562 -93.1761 -7.07589 -99.485 -3.52711 32.6234 -7.58486 31.8134 74.1068 TIMING: 895600 CPU: 2601, 0.00289469/step Wall: 2601, 0.00289469/step, 3.30026 hours remaining, 205.488281 MB of memory in use. ENERGY: 895600 769.6759 2089.5555 1961.7483 111.5155 -206839.1080 18310.7092 0.0000 0.0000 34188.3703 -149407.5331 298.5755 -183595.9035 -149319.5126 298.2611 184.2073 216.0680 556705.1051 0.1118 0.2412 PRESSURE: 895800 -213.049 -74.2634 -115.787 -74.264 -120.684 -70.7999 -115.789 -70.7998 -271.773 GPRESSURE: 895800 -149.464 -62.4618 -68.8332 -137.644 -145.562 9.7722 -185.006 -72.5819 -213.375 PRESSAVG: 895800 -10.6305 -41.1205 10.25 -41.1205 -50.9741 -65.0405 10.25 -65.0404 61.1831 GPRESSAVG: 895800 -9.55201 -41.7099 10.3905 -41.655 -51.1507 -65.2049 10.1095 -65.6272 59.7071 TIMING: 895800 CPU: 2601.58, 0.00290822/step Wall: 2601.58, 0.00290822/step, 3.31553 hours remaining, 205.488281 MB of memory in use. ENERGY: 895800 769.6970 2093.2707 1967.3043 115.3870 -205756.6328 17561.7432 0.0000 0.0000 33897.4789 -149351.7516 296.0351 -183249.2305 -149256.5293 298.5736 -201.8357 -169.4672 559375.7885 -0.1405 -0.3319 PRESSURE: 896000 -100.243 44.6053 79.7802 44.6056 132.969 -51.3467 79.7809 -51.3477 -347.197 GPRESSURE: 896000 -83.0991 138.861 28.1037 54.0057 142.57 -16.0046 150.49 15.2577 -261.424 PRESSAVG: 896000 21.8953 2.22988 2.17439 2.22978 -18.745 4.89082 2.17439 4.89084 -10.7609 GPRESSAVG: 896000 21.2965 1.99474 1.52398 1.79239 -19.1699 4.55424 2.90183 6.76276 -9.6315 TIMING: 896000 CPU: 2602.16, 0.00291041/step Wall: 2602.16, 0.00291041/step, 3.31787 hours remaining, 205.488281 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: 896000 762.3149 2082.3264 1958.2958 114.8227 -206238.4612 17905.1916 0.0000 0.0000 34325.5665 -149089.9432 299.7737 -183415.5097 -148994.0712 298.9245 -104.8236 -67.3176 558662.7100 -2.5369 -2.5016 PRESSURE: 896200 15.4895 -129.539 -31.5307 -129.539 -252.225 47.7728 -31.5303 47.7714 -233.383 GPRESSURE: 896200 -18.8962 -155.711 -15.7312 -92.6057 -196.776 5.55426 10.6146 66.5986 -151.996 PRESSAVG: 896200 60.6875 -14.8878 -47.025 -14.8878 4.20342 -27.676 -47.025 -27.6761 -37.3094 GPRESSAVG: 896200 61.2907 -16.5619 -46.1902 -13.9983 4.96819 -27.0401 -47.5828 -29.5126 -39.2664 TIMING: 896200 CPU: 2602.74, 0.00289669/step Wall: 2602.74, 0.00289669/step, 3.30207 hours remaining, 205.488281 MB of memory in use. ENERGY: 896200 770.7454 2096.3543 1966.9502 101.2501 -206145.4798 17639.1169 0.0000 0.0000 34357.4064 -149213.6567 300.0518 -183571.0631 -149120.9255 299.2774 -156.7061 -122.5559 557839.4321 9.1938 8.9975 LDB: ============= START OF LOAD BALANCING ============== 2606.21 LDB: ============== END OF LOAD BALANCING =============== 2606.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2606.21 LDB: ============= START OF LOAD BALANCING ============== 2606.5 LDB: Largest compute 4820 load 0.028104 is 23.9% of average load 0.117628 LDB: Average compute 0.001741 is 1.5% of average load 0.117628 LDB: TIME 2606.5 LOAD: AVG 0.117628 MAX 0.178561 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.191 MB LDB: TIME 2606.5 LOAD: AVG 0.117628 MAX 0.178561 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.254 MB LDB: TIME 2606.5 LOAD: AVG 0.117628 MAX 0.178561 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2606.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2606.51 PRESSURE: 896400 -146.123 71.9728 -121.588 71.9732 -28.7481 -56.7863 -121.588 -56.7859 -178.057 GPRESSURE: 896400 -83.9335 78.749 -156.775 91.8618 -63.8829 -45.7491 -167.022 -35.963 -105.058 PRESSAVG: 896400 -105.121 36.4465 -57.1005 36.4465 19.018 -7.03681 -57.1007 -7.03683 16.0166 GPRESSAVG: 896400 -105.651 37.9688 -57.2868 37.2526 18.2918 -5.82927 -57.4896 -7.9395 16.1386 TIMING: 896400 CPU: 2603.33, 0.00295136/step Wall: 2603.33, 0.00295136/step, 3.36422 hours remaining, 205.667969 MB of memory in use. ENERGY: 896400 739.6986 2127.0243 1980.9012 127.6709 -205862.4093 17513.2996 0.0000 0.0000 34342.5048 -149031.3099 299.9216 -183373.8147 -148937.3232 299.0354 -117.6427 -84.2915 556075.2435 -23.3622 -23.7402 PRESSURE: 896600 -41.8076 -3.6911 37.9943 -3.68999 -184.09 4.16256 37.9952 4.16378 -202.26 GPRESSURE: 896600 -4.51256 -18.2238 88.7028 -16.3797 -153.903 -28.5664 52.745 -16.63 -159.82 PRESSAVG: 896600 12.0095 35.5549 13.2106 35.5549 29.7369 24.7269 13.2106 24.727 12.2157 GPRESSAVG: 896600 10.9169 35.2912 14.1798 33.6502 30.1284 23.084 12.5307 26.1017 12.4128 TIMING: 896600 CPU: 2603.91, 0.00288671/step Wall: 2603.91, 0.00288671/step, 3.29037 hours remaining, 205.871094 MB of memory in use. ENERGY: 896600 768.3101 2078.7669 1960.9022 120.3095 -205948.1313 17760.3032 0.0000 0.0000 34202.1217 -149057.4177 298.6956 -183259.5394 -148965.8554 299.3693 -142.7194 -106.0783 558210.5622 17.9874 17.8194 PRESSURE: 896800 94.7734 73.0104 -23.6209 73.0097 -213.441 86.4996 -23.6204 86.4992 77.4631 GPRESSURE: 896800 138.184 133.31 -15.0449 81.9531 -175.496 100.1 -54.6184 137.618 91.3792 PRESSAVG: 896800 7.40881 -26.6225 28.6479 -26.6225 -62.6919 36.1471 28.6479 36.147 31.1287 GPRESSAVG: 896800 7.90979 -27.3833 27.1654 -25.2757 -62.0643 37.345 28.7784 35.3363 29.9647 TIMING: 896800 CPU: 2604.49, 0.00288222/step Wall: 2604.49, 0.00288222/step, 3.28509 hours remaining, 205.871094 MB of memory in use. ENERGY: 896800 724.4007 2122.4741 1964.9828 117.4287 -206123.9959 17847.0640 0.0000 0.0000 34162.9510 -149184.6947 298.3535 -183347.6457 -149090.6997 299.2034 -13.7348 18.0226 557294.7347 -8.0515 -8.0633 PRESSURE: 897000 72.4494 103.4 -217.368 103.4 -35.4214 188.549 -217.369 188.551 -232.17 GPRESSURE: 897000 79.1701 23.6149 -158.981 158.262 12.5043 86.0839 -158.649 263.885 -191.192 PRESSAVG: 897000 -8.94525 15.1712 -5.74532 15.1712 -16.5029 69.5755 -5.74525 69.5754 33.7859 GPRESSAVG: 897000 -9.88881 17.1397 -4.67163 13.8048 -16.4553 70.5143 -4.82574 70.7796 35.1619 TIMING: 897000 CPU: 2605.07, 0.00290681/step Wall: 2605.07, 0.00290681/step, 3.31296 hours remaining, 205.871094 MB of memory in use. ENERGY: 897000 715.8972 2111.5782 1963.7920 110.7490 -205817.7704 17551.6460 0.0000 0.0000 34290.9764 -149073.1315 299.4716 -183364.1080 -148980.2571 299.0942 -65.0474 -33.1725 557940.3359 2.7793 2.9393 PRESSURE: 897200 391.685 76.5451 57.2969 76.5457 398.672 15.29 57.2963 15.2881 133.634 GPRESSURE: 897200 438.811 61.1781 83.3002 29.7096 444.453 10.4289 112.206 11.6231 128.888 PRESSAVG: 897200 45.931 1.60459 -43.6667 1.60467 54.3536 17.6951 -43.6667 17.6951 -83.3325 GPRESSAVG: 897200 46.3995 0.434993 -44.736 3.96782 54.3232 16.5257 -43.2072 17.5042 -83.495 TIMING: 897200 CPU: 2605.65, 0.00289792/step Wall: 2605.65, 0.00289792/step, 3.30267 hours remaining, 205.949219 MB of memory in use. ENERGY: 897200 717.4737 2143.7648 1984.7085 118.0509 -206361.2108 18243.2270 0.0000 0.0000 34179.7875 -148974.1985 298.5006 -183153.9859 -148876.1547 300.2283 307.9967 337.3839 556224.4362 5.6507 5.7425 PRESSURE: 897400 -305.041 59.8885 61.696 59.8878 -159.512 -43.1657 61.6953 -43.166 -2.8416 GPRESSURE: 897400 -249.891 31.5598 163.806 55.6006 -109.483 -10.1707 32.2216 -107.989 -4.00927 PRESSAVG: 897400 -41.5738 27.6232 44.8052 27.6231 6.59118 -14.5158 44.8052 -14.5158 -3.08438 GPRESSAVG: 897400 -40.3766 27.4443 45.6505 27.736 5.37073 -16.0714 44.6287 -14.8985 -3.12465 TIMING: 897400 CPU: 2606.22, 0.00288476/step Wall: 2606.22, 0.00288476/step, 3.28751 hours remaining, 205.949219 MB of memory in use. ENERGY: 897400 767.4599 2114.8030 1966.1976 111.6720 -205522.0456 17432.1646 0.0000 0.0000 34256.8696 -148872.8789 299.1738 -183129.7485 -148770.5570 299.1201 -155.7982 -121.1277 557552.3260 -12.6890 -12.7102 PRESSURE: 897600 80.5047 -86.5068 -83.3315 -86.5083 141.635 -62.1278 -83.3338 -62.1279 108.996 GPRESSURE: 897600 96.2467 -28.4394 -158.184 -145.229 166.839 -66.3209 -47.1715 -66.0086 163.979 PRESSAVG: 897600 -44.829 -41.9412 -7.13913 -41.9412 20.185 -9.20956 -7.13918 -9.20947 54.7466 GPRESSAVG: 897600 -46.0954 -43.4312 -6.79261 -42.7068 21.4228 -6.75464 -9.19888 -8.43405 54.3512 TIMING: 897600 CPU: 2606.8, 0.00289383/step Wall: 2606.8, 0.00289383/step, 3.29767 hours remaining, 206.019531 MB of memory in use. ENERGY: 897600 768.1135 2127.3394 1983.2406 118.4983 -206226.7425 17951.8742 0.0000 0.0000 34224.7361 -149052.9405 298.8931 -183277.6765 -148949.9480 300.1020 110.3783 142.3548 556948.9258 10.0342 9.8929 PRESSURE: 897800 -58.1553 -133.986 40.3783 -133.986 217.664 45.1098 40.3785 45.1097 -224.299 GPRESSURE: 897800 -12.4821 -60.136 51.3466 -130.137 189.032 45.005 50.3077 36.7706 -151.225 PRESSAVG: 897800 -37.6803 -51.1194 1.14647 -51.1193 -10.3458 16.1452 1.1464 16.1453 18.2457 GPRESSAVG: 897800 -36.6812 -50.0717 2.7031 -50.801 -11.5118 15.6533 1.90226 14.864 18.4867 TIMING: 897800 CPU: 2607.38, 0.00290741/step Wall: 2607.38, 0.00290741/step, 3.313 hours remaining, 206.019531 MB of memory in use. ENERGY: 897800 760.2034 2146.6292 1966.8301 111.9118 -205821.1370 17643.8063 0.0000 0.0000 34293.7420 -148898.0143 299.4958 -183191.7563 -148805.2081 299.5510 -21.5968 8.4418 557924.2453 -9.9268 -9.9021 PRESSURE: 898000 35.8971 39.5157 61.5446 39.5162 -33.807 178.812 61.5466 178.811 76.3967 GPRESSURE: 898000 86.8429 -1.72678 56.946 -125.545 18.39 134.549 96.0455 168.624 65.0684 PRESSAVG: 898000 26.396 -50.9146 14.1386 -50.9145 -61.5502 -17.8537 14.1386 -17.8536 75.1437 GPRESSAVG: 898000 25.3343 -50.2878 13.3152 -52.0631 -61.2807 -18.2925 15.6451 -18.2168 75.3862 TIMING: 898000 CPU: 2607.96, 0.0028996/step Wall: 2607.96, 0.0028996/step, 3.30393 hours remaining, 206.019531 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: 898000 732.7879 2085.0600 1980.3972 110.2555 -206235.9726 17908.0972 0.0000 0.0000 34283.3179 -149136.0569 299.4047 -183419.3748 -149043.3714 299.4293 26.1623 56.7671 557279.1101 13.3298 13.1466 PRESSURE: 898200 258.014 -81.209 153.353 -81.211 -114.093 -180.343 153.353 -180.343 200.378 GPRESSURE: 898200 274.474 -99.2974 121.602 -29.1306 -55.5954 -200.208 142.78 -123.46 224.701 PRESSAVG: 898200 -29.1651 -7.76858 10.3299 -7.76862 -75.6669 17.9779 10.3298 17.9779 78.3408 GPRESSAVG: 898200 -28.6662 -6.47771 8.35711 -6.07587 -76.0421 16.4476 10.7855 18.8573 78.156 TIMING: 898200 CPU: 2608.54, 0.00288708/step Wall: 2608.54, 0.00288708/step, 3.2895 hours remaining, 206.019531 MB of memory in use. ENERGY: 898200 733.5080 2141.7418 1958.7685 115.9877 -205915.2608 17758.0378 0.0000 0.0000 34208.2355 -148998.9814 298.7490 -183207.2169 -148901.6442 299.3003 114.7663 147.8600 555742.9277 -8.8304 -8.8508 PRESSURE: 898400 -219.141 -83.4445 157.689 -83.4445 -223.704 -192.122 157.687 -192.123 -342.985 GPRESSURE: 898400 -201.571 -80.8338 76.9101 -98.4183 -170.065 -238.857 157.308 -192.642 -314.278 PRESSAVG: 898400 47.1199 24.4067 46.4337 24.4067 -61.5161 -41.2708 46.4337 -41.2708 13.7149 GPRESSAVG: 898400 47.7735 22.9386 47.0835 23.8684 -61.7548 -39.9276 44.7866 -41.9802 13.408 TIMING: 898400 CPU: 2609.12, 0.00288164/step Wall: 2609.12, 0.00288164/step, 3.28315 hours remaining, 206.019531 MB of memory in use. ENERGY: 898400 727.2271 2090.9669 1987.3148 106.7285 -205691.2251 17306.9695 0.0000 0.0000 34435.3432 -149036.6751 300.7324 -183472.0183 -148937.2247 299.9640 -261.9435 -228.6381 557247.9882 -0.2271 -0.1911 PRESSURE: 898600 47.4566 -120.68 38.0009 -120.679 -66.6445 -48.6983 38.0005 -48.6987 65.5784 GPRESSURE: 898600 116.674 -157.267 19.2647 -94.0335 -52.0707 -209.306 62.5062 17.7638 70.176 PRESSAVG: 898600 -54.3275 -28.1253 18.2289 -28.1253 -57.4728 -108.932 18.2289 -108.932 104.893 GPRESSAVG: 898600 -54.4174 -27.5507 20.4588 -28.6616 -55.9039 -109.516 18.0743 -108.924 103.635 TIMING: 898600 CPU: 2609.69, 0.00288391/step Wall: 2609.69, 0.00288391/step, 3.28558 hours remaining, 206.019531 MB of memory in use. ENERGY: 898600 811.7851 2088.0379 1953.3984 109.9687 -206503.5277 18040.1571 0.0000 0.0000 34379.5431 -149120.6373 300.2451 -183500.1804 -149025.0315 300.0900 15.4635 44.9263 556443.4008 -2.3025 -2.2289 PRESSURE: 898800 -21.9042 47.0662 -11.7021 47.0665 59.9401 -107.239 -11.703 -107.242 177.688 GPRESSURE: 898800 61.7339 -14.616 -58.8457 7.1993 126.533 4.17319 -12.1256 -37.5029 119.676 PRESSAVG: 898800 -14.7668 -2.48837 -30.1262 -2.48837 3.63668 -71.6823 -30.1261 -71.6824 65.6118 GPRESSAVG: 898800 -15.2463 -2.79637 -32.6983 0.093856 2.25718 -71.1797 -28.1122 -71.382 67.6501 TIMING: 898800 CPU: 2610.27, 0.0028849/step Wall: 2610.27, 0.0028849/step, 3.28654 hours remaining, 206.019531 MB of memory in use. ENERGY: 898800 709.9754 2109.1661 1979.0219 108.5907 -206309.9362 17843.4425 0.0000 0.0000 34508.5355 -149051.2041 301.3716 -183559.7397 -148960.9879 300.0661 71.9080 102.6474 558777.2666 18.1606 18.2203 PRESSURE: 899000 -107.075 45.0055 101.174 45.0065 -278.955 -125.566 101.174 -125.565 42.82 GPRESSURE: 899000 -14.6308 80.0031 75.8079 7.55848 -262.062 -87.2702 60.0609 -114.732 36.04 PRESSAVG: 899000 71.3382 -6.42965 -0.531173 -6.42961 -4.12396 -10.5299 -0.531157 -10.5298 -39.8168 GPRESSAVG: 899000 71.848 -6.2534 -0.664602 -10.6707 -3.9851 -9.76381 -0.72913 -11.3358 -40.1649 TIMING: 899000 CPU: 2610.85, 0.00287886/step Wall: 2610.85, 0.00287886/step, 3.2795 hours remaining, 206.019531 MB of memory in use. ENERGY: 899000 744.9185 2060.2447 1969.4105 114.4567 -205744.6784 17567.5744 0.0000 0.0000 34120.5228 -149167.5510 297.9830 -183288.0738 -149067.0905 299.6356 -114.4033 -80.2177 558698.3983 9.1325 9.2327 PRESSURE: 899200 18.708 -39.4843 169.946 -39.4851 -375.813 -157.328 169.947 -157.328 204.173 GPRESSURE: 899200 51.9029 49.6704 61.2674 -85.9208 -292.763 -184.208 207.778 -132.862 188.056 PRESSAVG: 899200 48.354 -59.7518 -28.3195 -59.7517 -28.8028 9.31169 -28.3196 9.31178 -40.1459 GPRESSAVG: 899200 47.3406 -60.4053 -27.4596 -58.2864 -27.6663 8.3948 -27.3145 10.5665 -40.071 TIMING: 899200 CPU: 2611.43, 0.00290385/step Wall: 2611.43, 0.00290385/step, 3.30781 hours remaining, 206.019531 MB of memory in use. ENERGY: 899200 743.0549 2079.9131 1961.6178 135.3447 -206134.6033 17773.9233 0.0000 0.0000 34340.7508 -149099.9987 299.9063 -183440.7495 -148999.6782 299.1379 -50.9774 -17.6014 557274.3163 -6.8649 -6.7989 PRESSURE: 899400 -62.3789 -77.3742 -172.11 -77.3743 -83.2218 -69.1504 -172.11 -69.1494 -173.372 GPRESSURE: 899400 -79.824 54.2641 -107.881 -75.9398 -11.7891 -47.6929 -155.32 -149.781 -131.889 PRESSAVG: 899400 1.76154 -14.1828 -39.5987 -14.1828 -29.6842 -10.4822 -39.5987 -10.4821 22.3444 GPRESSAVG: 899400 1.65451 -13.2546 -39.8323 -13.2633 -29.5365 -11.675 -39.742 -11.8448 22.4948 TIMING: 899400 CPU: 2612.01, 0.00291523/step Wall: 2612.01, 0.00291522/step, 3.3206 hours remaining, 206.019531 MB of memory in use. ENERGY: 899400 752.1277 2121.5610 1966.0762 128.6261 -206203.9378 17707.3961 0.0000 0.0000 34289.1818 -149238.9690 299.4560 -183528.1507 -149140.3716 299.4158 -106.3242 -74.5007 558500.6139 -1.8594 -1.7958 PRESSURE: 899600 -9.59106 -222.779 -2.16073 -222.78 5.00951 -168.872 -2.16228 -168.871 87.2123 GPRESSURE: 899600 2.72746 -121.937 2.58564 -250.721 46.3483 -114.324 -23.9968 -199.522 131.827 PRESSAVG: 899600 -48.8311 -1.56927 -78.5639 -1.56929 -15.3867 -47.8604 -78.5639 -47.8604 22.8807 GPRESSAVG: 899600 -48.5876 -1.40645 -76.6209 -1.14741 -14.5743 -46.8647 -79.4552 -46.5368 22.9932 TIMING: 899600 CPU: 2612.59, 0.00290964/step Wall: 2612.59, 0.00290964/step, 3.31408 hours remaining, 206.019531 MB of memory in use. ENERGY: 899600 729.1673 2137.7139 1958.5331 119.9067 -206582.8285 17987.1159 0.0000 0.0000 34221.3759 -149429.0155 298.8638 -183650.3915 -149333.2540 299.1245 27.5436 60.3010 556777.4361 -13.7790 -13.3896 PRESSURE: 899800 225.655 -36.2074 125.484 -36.2077 -176.355 -60.0691 125.483 -60.0698 -125.229 GPRESSURE: 899800 131.043 -62.2027 81.6651 12.0917 -94.3435 -60.6496 144.728 -98.5299 -21.1352 PRESSAVG: 899800 43.7303 8.71324 -65.3444 8.71321 -34.581 29.2988 -65.3443 29.2989 -29.3986 GPRESSAVG: 899800 43.6077 7.79363 -66.3242 7.9261 -34.5324 28.6198 -63.3082 28.6956 -29.2633 TIMING: 899800 CPU: 2613.17, 0.00289713/step Wall: 2613.17, 0.00289713/step, 3.29967 hours remaining, 206.070312 MB of memory in use. ENERGY: 899800 718.7509 2156.6107 1965.3203 110.3460 -206075.2560 17743.0232 0.0000 0.0000 34156.4249 -149224.7800 298.2966 -183381.2049 -149121.9349 299.1318 -25.3097 5.1882 557847.2779 -6.7498 -6.7293 PRESSURE: 900000 -144.189 -11.7623 238.772 -11.7616 124.05 25.3783 238.771 25.3787 44.1929 GPRESSURE: 900000 -87.5926 40.6103 249.363 -45.8661 183.875 9.86933 168.954 -28.3497 16.8267 PRESSAVG: 900000 -41.8023 31.155 -19.7766 31.155 -3.87004 -52.1717 -19.7765 -52.1718 18.2367 GPRESSAVG: 900000 -41.0885 34.5332 -19.7412 29.1355 -5.05789 -51.758 -20.4548 -53.6047 18.8681 TIMING: 900000 CPU: 2613.75, 0.00290121/step Wall: 2613.75, 0.0029012/step, 3.30415 hours remaining, 206.070312 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: 900000 763.2408 2060.2716 1975.6637 110.8618 -205984.5763 17763.4356 0.0000 0.0000 34151.3015 -149159.8014 298.2518 -183311.1029 -149062.2527 299.1207 8.0180 37.7030 556995.1878 -9.1452 -9.0927 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.016 seconds, 206.070 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 -82.6634 -1.60717 36.9487 -1.60819 -211.493 182.093 36.9492 182.092 -68.9843 GPRESSURE: 900200 -48.7154 -18.2423 40.9522 8.29442 -205.794 139.584 -2.73592 119.733 -17.641 PRESSAVG: 900200 -67.1663 -11.1539 12.7494 -11.1538 21.2589 -38.4921 12.7494 -38.4921 32.3467 GPRESSAVG: 900200 -67.4509 -13.7919 13.197 -7.8473 21.7368 -38.5126 10.7792 -37.8385 32.9221 TIMING: 900200 CPU: 2614.36, 0.00302644/step Wall: 2614.36, 0.00302644/step, 3.44661 hours remaining, 206.070312 MB of memory in use. ENERGY: 900200 766.4026 2080.0410 1985.8957 115.1547 -205764.5351 17598.7862 0.0000 0.0000 33981.0219 -149237.2329 296.7647 -183218.2548 -149132.3617 298.9694 -121.0470 -90.7169 556596.9886 -4.5202 -4.2640 LDB: ============= START OF LOAD BALANCING ============== 2617.82 LDB: ============== END OF LOAD BALANCING =============== 2617.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2617.83 LDB: ============= START OF LOAD BALANCING ============== 2618.12 LDB: Largest compute 4820 load 0.028272 is 24.0% of average load 0.117570 LDB: Average compute 0.001743 is 1.5% of average load 0.117570 LDB: TIME 2618.12 LOAD: AVG 0.11757 MAX 0.177619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.633 MB LDB: TIME 2618.12 LOAD: AVG 0.11757 MAX 0.177619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.785 MB LDB: TIME 2618.12 LOAD: AVG 0.11757 MAX 0.177619 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.785 MB LDB: ============== END OF LOAD BALANCING =============== 2618.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2618.12 PRESSURE: 900400 349.931 143.053 -72.355 143.051 350.079 72.0133 -72.3538 72.0136 436.309 GPRESSURE: 900400 381.245 174.923 -112.013 187.705 434.912 142.113 -23.0836 32.8513 418.448 PRESSAVG: 900400 16.6217 -25.9025 -9.33352 -25.9026 -78.9606 12.5395 -9.3335 12.5395 76.066 GPRESSAVG: 900400 16.6347 -25.508 -10.6335 -26.0554 -78.3058 13.3278 -8.03141 12.3032 75.3027 TIMING: 900400 CPU: 2614.95, 0.00295444/step Wall: 2614.95, 0.00295444/step, 3.36445 hours remaining, 203.464844 MB of memory in use. ENERGY: 900400 753.9701 2062.7984 1953.1699 115.0029 -206690.1913 18198.4649 0.0000 0.0000 34272.6611 -149334.1238 299.3117 -183606.7849 -149234.2825 298.8793 378.7732 411.5352 554639.8974 4.5757 4.5439 PRESSURE: 900600 -203.449 48.0614 40.0087 48.0621 -118.661 0.947689 40.009 0.948817 -128.838 GPRESSURE: 900600 -162.389 57.6156 73.9525 79.4524 -60.5542 -59.8366 37.2716 -22.5776 -130.453 PRESSAVG: 900600 -31.4946 7.65558 9.76028 7.65551 -27.9743 31.0119 9.76032 31.0119 69.1138 GPRESSAVG: 900600 -31.7513 7.29099 10.0523 5.69942 -26.7457 29.8472 11.4446 31.7125 68.4921 TIMING: 900600 CPU: 2615.53, 0.00291737/step Wall: 2615.53, 0.00291737/step, 3.32208 hours remaining, 203.722656 MB of memory in use. ENERGY: 900600 765.9479 2082.4014 1987.1127 117.8842 -206304.7762 17668.9708 0.0000 0.0000 34430.6004 -149251.8586 300.6910 -183682.4590 -149151.1962 299.5702 -150.3162 -117.7987 557920.6392 3.2150 3.3317 PRESSURE: 900800 -6.46849 104.929 37.7992 104.929 200.705 -237.705 37.8006 -237.706 242.284 GPRESSURE: 900800 76.6883 240.197 -9.68592 -29.6529 253.651 -119.569 43.369 -188.656 196.54 PRESSAVG: 900800 27.125 -5.08247 14.7581 -5.0825 -39.0336 -14.6123 14.7581 -14.6124 -9.69815 GPRESSAVG: 900800 28.0503 -2.81376 15.1563 -5.20318 -38.8117 -13.4152 13.3093 -16.2273 -10.3252 TIMING: 900800 CPU: 2616.11, 0.00289345/step Wall: 2616.11, 0.00289345/step, 3.29467 hours remaining, 203.730469 MB of memory in use. ENERGY: 900800 757.9400 2155.1570 1972.2972 127.2584 -206594.6624 18168.6411 0.0000 0.0000 34408.5650 -149004.8037 300.4986 -183413.3687 -148911.0471 299.8489 145.5067 175.6264 557421.1737 -7.2023 -7.0289 PRESSURE: 901000 -400.013 -40.2795 10.4325 -40.2787 -175.586 104.632 10.4316 104.631 38.0062 GPRESSURE: 901000 -360.287 -104.972 -26.1078 49.4703 -149.09 101.388 82.7965 39.0141 58.9283 PRESSAVG: 901000 21.1852 5.54664 -18.437 5.54667 -20.4088 31.7155 -18.437 31.7156 28.6104 GPRESSAVG: 901000 20.9967 1.70278 -18.6059 7.64733 -22.0085 29.6857 -18.22 33.1646 31.004 TIMING: 901000 CPU: 2616.68, 0.00286336/step Wall: 2616.68, 0.00286336/step, 3.26025 hours remaining, 203.730469 MB of memory in use. ENERGY: 901000 794.7081 2057.0353 1981.3714 111.3831 -206104.0919 17804.9674 0.0000 0.0000 34453.0200 -148901.6065 300.8868 -183354.6266 -148812.3757 300.5682 -179.1977 -150.1496 558166.7043 9.7956 9.9974 PRESSURE: 901200 46.8675 21.3926 -161.462 21.3933 -77.7172 176.269 -161.462 176.268 -212.929 GPRESSURE: 901200 4.85712 24.3381 -101.055 -5.32318 -20.069 132.632 -153.818 145.323 -134.107 PRESSAVG: 901200 -13.9006 3.85325 -35.6344 3.85333 -0.888798 51.9927 -35.6343 51.9925 39.0826 GPRESSAVG: 901200 -12.3002 5.8254 -34.0294 3.83825 -1.21834 51.712 -37.9266 52.9337 37.8449 TIMING: 901200 CPU: 2617.26, 0.00289944/step Wall: 2617.26, 0.00289944/step, 3.30117 hours remaining, 203.730469 MB of memory in use. ENERGY: 901200 750.0396 2112.2333 1960.5347 108.4199 -206298.8681 17798.1842 0.0000 0.0000 34440.1594 -149129.2969 300.7745 -183569.4563 -149025.6073 299.9419 -81.2595 -49.7728 557877.2682 8.0977 8.1088 PRESSURE: 901400 23.2663 177.053 65.5427 177.052 -104.547 -7.01589 65.5423 -7.01706 92.7561 GPRESSURE: 901400 37.423 350.047 89.8665 70.453 -104.843 2.62631 -18.0342 -105.737 181.195 PRESSAVG: 901400 -37.8119 -28.3237 -11.7418 -28.3237 -39.9056 67.7202 -11.7419 67.7202 49.7323 GPRESSAVG: 901400 -37.5648 -29.8179 -12.1816 -28.9272 -40.5782 69.836 -10.2052 67.6554 50.5229 TIMING: 901400 CPU: 2617.84, 0.00288775/step Wall: 2617.84, 0.00288775/step, 3.2877 hours remaining, 203.730469 MB of memory in use. ENERGY: 901400 762.3153 2130.8785 1956.0839 125.7879 -205932.2761 17910.0051 0.0000 0.0000 33905.4253 -149141.7802 296.1045 -183047.2054 -149050.0608 298.9669 3.8252 37.9248 560044.3504 -9.3284 -9.2067 PRESSURE: 901600 12.4324 114.002 -23.0785 114.003 23.4407 140.202 -23.0791 140.201 -79.0835 GPRESSURE: 901600 53.8719 50.3331 -105.29 90.5638 28.4077 185.509 -46.241 106.923 -26.2837 PRESSAVG: 901600 28.4786 -39.2257 3.19845 -39.2257 -53.0608 37.6334 3.19854 37.6334 46.5225 GPRESSAVG: 901600 28.1006 -41.1505 1.65316 -38.5074 -53.1978 35.6226 1.69036 36.218 47.5245 TIMING: 901600 CPU: 2618.42, 0.0028943/step Wall: 2618.42, 0.0028943/step, 3.295 hours remaining, 203.730469 MB of memory in use. ENERGY: 901600 730.5660 2022.0371 1990.8025 118.3639 -205972.0526 17817.8619 0.0000 0.0000 34123.1055 -149169.3157 298.0056 -183292.4212 -149063.9531 299.0758 -14.4035 18.6653 559954.2188 7.3134 7.4757 PRESSURE: 901800 2.18949 57.9591 -33.2389 57.9589 -328.932 -59.6548 -33.2386 -59.6562 -245.918 GPRESSURE: 901800 17.4595 111.95 -35.6503 -55.8397 -309.655 60.2895 20.5989 -108.596 -180.388 PRESSAVG: 901800 62.8714 49.1902 -57.082 49.1901 -78.3381 62.1192 -57.0819 62.1193 5.80018 GPRESSAVG: 901800 62.8393 51.0204 -57.0709 49.5194 -77.0162 64.6598 -53.9106 60.0776 5.13135 TIMING: 901800 CPU: 2619, 0.00290711/step Wall: 2619, 0.00290711/step, 3.30942 hours remaining, 203.789062 MB of memory in use. ENERGY: 901800 793.2109 2059.5579 1963.2881 118.9117 -205857.8380 17759.9919 0.0000 0.0000 33961.8256 -149201.0518 296.5971 -183162.8774 -149116.4184 298.8757 -190.8867 -157.5280 560074.9082 -3.2222 -3.0152 PRESSURE: 902000 -183.167 49.2743 -91.6587 49.2743 -260.928 -82.1675 -91.6586 -82.1687 79.1533 GPRESSURE: 902000 -90.2116 3.29802 -42.735 69.579 -249.34 -100.985 -73.1506 -84.5208 73.4882 PRESSAVG: 902000 2.63431 -11.8421 -21.3324 -11.8422 -49.8916 -26.036 -21.3325 -26.036 34.6221 GPRESSAVG: 902000 3.70119 -10.183 -19.4145 -14.0409 -50.6428 -28.4721 -22.7214 -22.7682 34.2024 TIMING: 902000 CPU: 2619.58, 0.00290034/step Wall: 2619.58, 0.00290033/step, 3.30155 hours remaining, 203.789062 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: 902000 799.5983 2020.8905 1976.2422 107.3008 -206232.6478 17845.8571 0.0000 0.0000 34416.1474 -149066.6114 300.5648 -183482.7588 -148971.6872 299.0872 -121.6473 -88.6877 558977.2881 -4.2117 -4.2464 PRESSURE: 902200 11.1363 70.6248 3.03387 70.6251 -109.352 94.838 3.03272 94.8382 -172.161 GPRESSURE: 902200 54.9309 -13.7092 -62.9672 79.0333 -35.1643 38.5521 31.1589 99.6915 -193.887 PRESSAVG: 902200 36.9795 -35.601 -7.52376 -35.6009 -7.03714 44.1974 -7.52377 44.1974 -67.0063 GPRESSAVG: 902200 36.3562 -37.529 -10.5082 -34.2064 -5.48422 44.5726 -7.49292 42.9678 -67.6942 TIMING: 902200 CPU: 2620.16, 0.00289023/step Wall: 2620.16, 0.00289023/step, 3.28989 hours remaining, 203.789062 MB of memory in use. ENERGY: 902200 756.2625 2071.1162 1964.5394 115.1939 -205935.6347 17752.0116 0.0000 0.0000 34171.1869 -149105.3243 298.4255 -183276.5113 -149010.7294 298.9067 -90.1256 -58.0403 557838.9840 -12.3546 -12.2740 PRESSURE: 902400 -73.7039 58.908 78.9524 58.9086 -242.465 -30.1413 78.9516 -30.1398 -266.561 GPRESSURE: 902400 -57.724 -40.6229 94.4483 70.9059 -221.551 9.58956 98.8845 -24.5201 -185.072 PRESSAVG: 902400 79.4777 39.6036 53.5315 39.6036 -12.2273 -34.6483 53.5315 -34.6484 -45.3313 GPRESSAVG: 902400 79.4607 39.6753 55.6357 40.2977 -13.1017 -32.3528 52.3824 -37.2949 -44.6934 TIMING: 902400 CPU: 2620.74, 0.00290222/step Wall: 2620.74, 0.00290222/step, 3.30337 hours remaining, 203.789062 MB of memory in use. ENERGY: 902400 747.4540 2091.7131 1987.3535 102.4953 -205687.1685 17585.5948 0.0000 0.0000 34170.7010 -149001.8568 298.4212 -183172.5578 -148897.6031 299.2294 -194.2433 -154.7826 558761.1857 7.3064 7.2219 PRESSURE: 902600 -76.3397 -108.338 37.8943 -108.338 11.5289 17.544 37.8945 17.5434 -379.114 GPRESSURE: 902600 -47.6369 -72.2353 100.014 -54.4691 56.938 9.92276 48.3688 -8.79779 -373.556 PRESSAVG: 902600 -22.642 93.7345 77.3231 93.7345 51.5954 -46.6969 77.323 -46.6969 -13.2783 GPRESSAVG: 902600 -22.5868 93.7684 76.7586 93.1054 52.1834 -48.7192 78.6541 -43.5637 -13.6329 TIMING: 902600 CPU: 2621.32, 0.00288807/step Wall: 2621.32, 0.00288807/step, 3.28711 hours remaining, 203.847656 MB of memory in use. ENERGY: 902600 739.2657 2089.2155 1958.6802 119.7117 -205894.0612 17649.3205 0.0000 0.0000 34268.3624 -149069.5053 299.2741 -183337.8677 -148976.0758 299.4662 -147.9748 -121.4184 559751.3223 5.2250 5.3212 PRESSURE: 902800 -6.75637 -1.38126 117.494 -1.38183 367.519 95.2047 117.494 95.2033 217.585 GPRESSURE: 902800 51.6367 62.5303 46.7639 37.2948 340.956 79.1791 162.532 172.032 274.374 PRESSAVG: 902800 -79.8815 32.4781 36.9272 32.4783 95.6875 13.4694 36.9271 13.4694 -29.0337 GPRESSAVG: 902800 -80.2952 32.0922 38.0769 34.8983 95.1231 12.4746 35.1252 13.911 -28.34 TIMING: 902800 CPU: 2621.9, 0.00289441/step Wall: 2621.9, 0.00289441/step, 3.29416 hours remaining, 203.847656 MB of memory in use. ENERGY: 902800 733.1032 2048.7441 1972.4440 111.1096 -206359.9680 18154.0306 0.0000 0.0000 34349.1054 -148991.4310 299.9793 -183340.5363 -148895.1996 300.0128 192.7823 222.3224 558485.2317 -4.4092 -4.5040 PRESSURE: 903000 -42.6761 -125.431 41.4996 -125.431 -146.727 -101.104 41.5007 -101.104 -19.6602 GPRESSURE: 903000 24.1134 -168.71 -5.68104 -120.223 -87.5724 -111.026 58.7534 -134.835 -36.4229 PRESSAVG: 903000 -24.7564 -12.9734 48.3374 -12.9733 35.6293 -54.9422 48.3373 -54.9422 -9.94076 GPRESSAVG: 903000 -24.0403 -13.4128 47.9343 -12.3735 35.1025 -55.182 49.215 -55.1683 -10.4497 TIMING: 903000 CPU: 2622.48, 0.00292572/step Wall: 2622.48, 0.00292572/step, 3.32964 hours remaining, 203.847656 MB of memory in use. ENERGY: 903000 757.9529 2077.2088 1945.6268 115.5752 -206082.8414 17706.9858 0.0000 0.0000 34476.5581 -149002.9338 301.0924 -183479.4920 -148907.9719 299.7717 -69.6876 -33.2940 558719.7929 0.3107 0.2042 PRESSURE: 903200 -37.6398 -79.2139 112.629 -79.2139 -7.01815 64.0331 112.628 64.032 -417.728 GPRESSURE: 903200 -1.62041 -60.0796 104.803 -91.9536 -8.91492 52.4994 165.446 66.8854 -344.172 PRESSAVG: 903200 -60.2769 -30.0478 45.559 -30.0478 48.9288 -21.7971 45.5589 -21.797 13.3853 GPRESSAVG: 903200 -61.1681 -30.5351 44.9953 -31.1436 48.3688 -21.8653 46.1993 -21.6467 14.6097 TIMING: 903200 CPU: 2623.06, 0.00288746/step Wall: 2623.06, 0.00288746/step, 3.28593 hours remaining, 203.847656 MB of memory in use. ENERGY: 903200 749.1817 2065.5747 1977.8075 120.3956 -205839.7058 17687.4488 0.0000 0.0000 34285.3958 -148953.9017 299.4229 -183239.2975 -148860.0897 300.2504 -154.1286 -118.2358 559104.3143 0.6791 0.6035 PRESSURE: 903400 -209.773 -52.4716 18.8331 -52.4712 -2.6782 -212.576 18.8328 -212.576 99.2497 GPRESSURE: 903400 -202.885 -39.2533 -5.34438 -30.1409 22.5511 -166.287 -13.5875 -216.374 184.561 PRESSAVG: 903400 -2.45638 -17.6999 -14.5178 -17.6998 -22.2146 19.754 -14.5178 19.7539 16.0166 GPRESSAVG: 903400 -2.12975 -17.3395 -13.3544 -17.3258 -20.6323 18.68 -15.9698 19.8534 14.2047 TIMING: 903400 CPU: 2623.63, 0.00287249/step Wall: 2623.63, 0.0028725/step, 3.26874 hours remaining, 204.082031 MB of memory in use. ENERGY: 903400 720.2191 2087.6530 1974.1116 117.6766 -206182.6070 17875.2906 0.0000 0.0000 34552.4618 -148855.1943 301.7552 -183407.6561 -148751.2594 299.9421 -37.7338 1.4092 559987.0885 -2.8848 -2.8525 PRESSURE: 903600 18.5839 67.2769 12.939 67.2772 98.0834 161.638 12.9397 161.636 92.3925 GPRESSURE: 903600 44.1004 122.398 40.5534 -9.88313 156.522 114.589 -5.8476 210.268 115.348 PRESSAVG: 903600 43.4011 -25.7121 -2.39127 -25.7121 2.98035 -24.3076 -2.39129 -24.3077 -13.2258 GPRESSAVG: 903600 44.3746 -25.9978 -2.58838 -26.7593 0.684518 -23.8473 -1.63664 -24.9893 -12.1015 TIMING: 903600 CPU: 2624.22, 0.00291348/step Wall: 2624.22, 0.00291347/step, 3.31521 hours remaining, 204.082031 MB of memory in use. ENERGY: 903600 723.3253 2082.7981 1944.1183 112.3412 -206377.0948 18055.8905 0.0000 0.0000 34424.4533 -149034.1682 300.6373 -183458.6215 -148942.2554 299.5763 69.6866 105.3237 559184.4764 11.0519 10.9859 PRESSURE: 903800 -71.3453 -8.80645 78.21 -8.80702 86.9423 8.17717 78.21 8.17724 219.509 GPRESSURE: 903800 -17.5088 -85.5959 47.4636 23.5515 147.708 76.1421 105.82 -59.8726 212.839 PRESSAVG: 903800 -34.9774 -11.5796 29.5642 -11.5795 -49.9795 -17.8778 29.5642 -17.8779 60.6543 GPRESSAVG: 903800 -35.6977 -11.9022 27.9112 -11.2102 -47.9136 -16.5415 31.0496 -18.1785 58.8076 TIMING: 903800 CPU: 2624.8, 0.00289857/step Wall: 2624.8, 0.00289857/step, 3.29809 hours remaining, 204.082031 MB of memory in use. ENERGY: 903800 729.0977 2102.1970 1933.7162 123.5560 -206140.6312 17815.9143 0.0000 0.0000 34315.8661 -149120.2838 299.6890 -183436.1499 -149031.4138 299.8867 78.3687 114.3462 556620.2654 -8.1009 -8.2679 PRESSURE: 904000 78.077 25.6143 53.4838 25.6149 -107.86 -5.69992 53.4853 -5.70197 -0.658149 GPRESSURE: 904000 104.877 24.491 75.6741 -17.9269 -63.5745 24.8495 17.4352 198.851 18.4513 PRESSAVG: 904000 3.33132 37.6076 -25.7625 37.6076 28.257 25.6302 -25.7625 25.6302 53.0045 GPRESSAVG: 904000 3.67313 39.8481 -23.1438 34.483 26.8561 26.2154 -26.285 26.5304 54.0213 TIMING: 904000 CPU: 2625.38, 0.00291845/step Wall: 2625.38, 0.00291845/step, 3.32054 hours remaining, 204.082031 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: 904000 728.0227 2072.0765 1961.0283 113.1393 -206150.4019 17785.5068 0.0000 0.0000 34441.2012 -149049.4270 300.7836 -183490.6282 -148962.6108 299.3641 -10.1471 19.9179 556586.2073 28.1976 28.1835 PRESSURE: 904200 -113.085 -172.338 21.515 -172.338 162.747 -33.7904 21.5158 -33.7919 355.392 GPRESSURE: 904200 -110.475 -234.447 -56.4014 -122.523 225.366 37.3548 59.593 -104.176 380.716 PRESSAVG: 904200 -65.9104 -15.1711 33.2531 -15.1711 59.4939 -21.5461 33.2532 -21.5462 72.1731 GPRESSAVG: 904200 -65.8231 -16.327 31.2813 -10.9217 60.0903 -23.9828 32.2189 -20.782 71.1803 TIMING: 904200 CPU: 2625.96, 0.00290576/step Wall: 2625.96, 0.00290577/step, 3.30595 hours remaining, 204.082031 MB of memory in use. ENERGY: 904200 735.3018 2049.6010 1986.4647 113.6033 -206102.2491 18008.5575 0.0000 0.0000 34125.3562 -149083.3645 298.0252 -183208.7207 -148990.1244 299.5262 135.0180 165.2023 557526.8538 21.9189 21.8158 LDB: ============= START OF LOAD BALANCING ============== 2629.43 LDB: ============== END OF LOAD BALANCING =============== 2629.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2629.43 LDB: ============= START OF LOAD BALANCING ============== 2629.72 LDB: Largest compute 4820 load 0.028271 is 24.1% of average load 0.117520 LDB: Average compute 0.001740 is 1.5% of average load 0.117520 LDB: TIME 2629.73 LOAD: AVG 0.11752 MAX 0.179418 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.148 MB LDB: TIME 2629.73 LOAD: AVG 0.11752 MAX 0.179418 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.188 MB LDB: TIME 2629.73 LOAD: AVG 0.11752 MAX 0.179418 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.188 MB LDB: ============== END OF LOAD BALANCING =============== 2629.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2629.73 PRESSURE: 904400 -4.12461 137.731 150.426 137.732 -19.467 44.5671 150.427 44.568 -50.6557 GPRESSURE: 904400 45.3115 81.7942 143.418 149.352 9.16629 68.2632 147.507 36.9467 -30.4111 PRESSAVG: 904400 37.3961 -43.3915 29.4258 -43.3914 -4.03941 -30.369 29.4258 -30.369 -39.3697 GPRESSAVG: 904400 37.3232 -44.1995 28.5311 -44.6505 -4.51915 -28.1839 31.0396 -31.5308 -39.2308 TIMING: 904400 CPU: 2626.56, 0.00297837/step Wall: 2626.56, 0.00297837/step, 3.38839 hours remaining, 205.527344 MB of memory in use. ENERGY: 904400 728.0013 2106.8953 1965.4651 118.3153 -206515.9924 17889.5973 0.0000 0.0000 34467.4147 -149240.3035 301.0125 -183707.7182 -149146.2707 299.3215 -24.7491 8.0222 557117.4736 -2.0043 -2.1423 PRESSURE: 904600 -214.474 -38.6748 -157.564 -38.6744 -95.1342 134.054 -157.564 134.054 -3.35841 GPRESSURE: 904600 -216.824 -136.9 -187.356 -22.1598 -77.7141 68.3321 -118.526 179.429 76.5847 PRESSAVG: 904600 77.6915 1.8433 -45.2567 1.84322 1.3743 -6.01263 -45.2567 -6.01263 -51.378 GPRESSAVG: 904600 77.691 3.07032 -43.9654 0.629693 1.46891 -5.78917 -45.0506 -6.67894 -51.3024 TIMING: 904600 CPU: 2627.14, 0.0028996/step Wall: 2627.14, 0.0028996/step, 3.29862 hours remaining, 205.988281 MB of memory in use. ENERGY: 904600 736.0329 2105.5949 1976.5966 131.8095 -205773.8103 17600.9878 0.0000 0.0000 33955.0721 -149267.7166 296.5381 -183222.7886 -149173.0423 298.4545 -104.3221 -72.6511 557780.7714 9.2293 9.2858 PRESSURE: 904800 266.352 34.2728 -0.548585 34.273 106.272 47.5282 -0.548934 47.527 41.6059 GPRESSURE: 904800 338.739 -30.9313 -31.1699 10.733 83.3403 65.2636 -7.22528 42.4185 98.1218 PRESSAVG: 904800 -26.9433 16.8101 -3.52305 16.8099 -22.6602 28.1969 -3.52304 28.197 62.616 GPRESSAVG: 904800 -26.5083 16.4734 -2.28466 16.783 -23.1204 26.9719 -5.12543 30.2372 62.7951 TIMING: 904800 CPU: 2627.72, 0.00291768/step Wall: 2627.72, 0.00291768/step, 3.31903 hours remaining, 205.988281 MB of memory in use. ENERGY: 904800 754.0009 2082.5915 1973.9885 99.0360 -206703.3039 18095.9422 0.0000 0.0000 34296.7257 -149401.0191 299.5218 -183697.7448 -149300.1199 298.7464 138.0768 173.4002 557290.5831 4.3375 4.3888 PRESSURE: 905000 -7.26254 -22.8393 51.1866 -22.8407 -64.5381 -172.445 51.187 -172.443 -44.2174 GPRESSURE: 905000 -1.2008 -72.2313 56.5908 54.1547 19.38 -118.497 85.696 -200.586 -39.8244 PRESSAVG: 905000 24.055 -35.2654 29.5977 -35.2653 -47.6471 -2.43153 29.5977 -2.43157 8.95056 GPRESSAVG: 905000 23.8952 -36.7636 27.9772 -33.9232 -47.0693 -0.727878 28.5346 -5.38703 8.38756 TIMING: 905000 CPU: 2628.3, 0.00289054/step Wall: 2628.3, 0.00289054/step, 3.28799 hours remaining, 205.988281 MB of memory in use. ENERGY: 905000 737.8520 2115.0502 1960.8628 111.5463 -206326.5828 17821.7776 0.0000 0.0000 34159.5456 -149419.9484 298.3238 -183579.4940 -149326.9394 298.8361 -38.6727 -7.2151 557841.5658 -4.8805 -4.9288 PRESSURE: 905200 154.522 -19.6911 -173.004 -19.6907 -143.825 -155.674 -173.004 -155.672 -195.467 GPRESSURE: 905200 199.735 -89.2861 -220.66 101.779 -164.958 -265.918 -139.664 -92.5138 -120.582 PRESSAVG: 905200 44.9244 21.8027 -29.198 21.8026 -3.84428 32.3439 -29.198 32.3438 -34.2666 GPRESSAVG: 905200 43.3776 23.8699 -29.7275 22.7911 -4.44352 32.219 -27.7834 32.3833 -32.1239 TIMING: 905200 CPU: 2628.88, 0.00289307/step Wall: 2628.88, 0.00289307/step, 3.29071 hours remaining, 205.988281 MB of memory in use. ENERGY: 905200 723.4436 2127.7234 1968.1151 115.7248 -206539.1922 17800.2904 0.0000 0.0000 34254.1797 -149549.7151 299.1503 -183803.8949 -149455.7610 298.8298 -61.5902 -28.6015 557076.0224 2.2712 2.2701 PRESSURE: 905400 225.119 26.1552 -181.846 26.1546 17.533 -5.46677 -181.845 -5.46769 53.8375 GPRESSURE: 905400 232.627 18.9187 -197.58 73.9623 88.6736 -45.2827 -126.305 -57.7478 74.8076 PRESSAVG: 905400 60.3827 20.8042 -67.6233 20.8042 48.8864 2.00426 -67.6233 2.00422 -75.0176 GPRESSAVG: 905400 60.1669 20.9069 -64.8236 19.0382 50.5328 1.16079 -67.9992 2.91481 -77.1381 TIMING: 905400 CPU: 2629.46, 0.00289602/step Wall: 2629.46, 0.00289602/step, 3.2939 hours remaining, 206.058594 MB of memory in use. ENERGY: 905400 742.1833 2112.6647 1966.5888 106.0218 -206749.7237 18139.5418 0.0000 0.0000 34268.6597 -149414.0637 299.2767 -183682.7234 -149317.3308 298.5565 98.8297 132.0361 556481.0316 11.4172 11.1872 PRESSURE: 905600 160.288 -211.617 42.129 -211.617 -212.213 98.6436 42.1286 98.6453 -40.0416 GPRESSURE: 905600 212.652 -144.956 11.6351 -219.676 -162.304 93.3866 -19.954 103.383 -48.6575 PRESSAVG: 905600 19.738 -14.3629 -44.6229 -14.3629 41.7127 22.3867 -44.6229 22.3866 -42.2303 GPRESSAVG: 905600 20.6681 -15.0689 -46.7982 -15.1114 40.3283 22.9334 -44.559 23.18 -41.6221 TIMING: 905600 CPU: 2630.03, 0.00288232/step Wall: 2630.03, 0.00288232/step, 3.27816 hours remaining, 206.058594 MB of memory in use. ENERGY: 905600 719.6455 2112.4033 1993.8252 118.3125 -206351.6659 17813.6533 0.0000 0.0000 34274.2338 -149319.5921 299.3254 -183593.8259 -149223.8234 299.5649 -30.6554 0.5634 556784.9429 6.4068 6.4581 PRESSURE: 905800 -224.594 -56.8589 8.76256 -56.8592 -126.529 -18.2394 8.7625 -18.24 -118.425 GPRESSURE: 905800 -169.954 -41.3578 19.0635 -185.643 -56.2349 -29.2231 16.8662 -105.025 -124.796 PRESSAVG: 905800 -3.89471 -13.4587 -19.1759 -13.4587 1.2403 -11.8165 -19.1759 -11.8163 47.5652 GPRESSAVG: 905800 -3.10612 -11.7298 -19.7003 -15.9229 1.06983 -13.8548 -19.0565 -12.5307 47.377 TIMING: 905800 CPU: 2630.61, 0.00289307/step Wall: 2630.61, 0.00289307/step, 3.29022 hours remaining, 206.058594 MB of memory in use. ENERGY: 905800 717.7946 2095.7789 1968.1152 113.8992 -206419.1222 17815.3270 0.0000 0.0000 34326.5168 -149381.6904 299.7820 -183708.2072 -149288.3460 299.5101 -156.5161 -116.9950 556244.8228 14.9703 15.1136 PRESSURE: 906000 38.0857 -28.2228 -29.9961 -28.2227 -161.316 152.868 -29.9945 152.868 -78.5224 GPRESSURE: 906000 1.0452 9.1427 -10.7059 49.7894 -70.9141 143.653 -38.8564 112.128 -42.8832 PRESSAVG: 906000 -15.2913 -41.9938 10.4813 -41.9937 5.21818 12.1167 10.4813 12.1168 -13.4416 GPRESSAVG: 906000 -17.3011 -41.5695 10.9294 -39.8431 5.46555 14.0135 12.6012 12.9474 -12.3057 TIMING: 906000 CPU: 2631.2, 0.00294166/step Wall: 2631.2, 0.00294166/step, 3.34532 hours remaining, 206.058594 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: 906000 752.3574 2098.4761 1966.7490 124.9849 -206575.9065 17943.1421 0.0000 0.0000 34350.1791 -149340.0180 299.9887 -183690.1970 -149242.2613 299.0262 -67.2511 -37.5840 556776.4697 -7.8382 -8.0471 PRESSURE: 906200 29.0302 -69.0053 89.9276 -69.0054 -33.315 -4.88975 89.9285 -4.8892 -95.7919 GPRESSURE: 906200 71.0903 -83.1686 95.5276 -43.0959 -18.738 -61.2523 234.14 30.2448 -44.6283 PRESSAVG: 906200 -9.48344 -29.3596 -33.154 -29.3595 -41.0108 -16.4859 -33.154 -16.4857 42.8797 GPRESSAVG: 906200 -9.48658 -30.7551 -33.4773 -30.8591 -41.1795 -17.1717 -35.3132 -16.7508 42.6739 TIMING: 906200 CPU: 2631.78, 0.00291619/step Wall: 2631.78, 0.00291619/step, 3.31619 hours remaining, 206.058594 MB of memory in use. ENERGY: 906200 734.3070 2085.4886 1976.7666 107.9860 -206752.0187 17963.3251 0.0000 0.0000 34445.7362 -149438.4092 300.8232 -183884.1454 -149347.3303 299.1647 -33.3589 2.5746 557132.0062 -2.5382 -2.6640 PRESSURE: 906400 196.382 110.749 256.928 110.75 -336.861 74.3249 256.927 74.3258 -34.6149 GPRESSURE: 906400 187.182 144.45 254.323 105.987 -268.059 40.7629 250.177 180.637 4.82634 PRESSAVG: 906400 -31.3174 3.7991 46.2677 3.79905 17.8767 71.0101 46.2677 71.0101 49.4459 GPRESSAVG: 906400 -31.1522 3.24232 47.1248 5.81045 17.9775 72.5541 46.7904 70.9347 48.4368 TIMING: 906400 CPU: 2632.36, 0.00289724/step Wall: 2632.36, 0.00289724/step, 3.29448 hours remaining, 206.058594 MB of memory in use. ENERGY: 906400 760.1723 2107.9012 1989.7100 109.5085 -206434.2440 17766.0727 0.0000 0.0000 34162.0231 -149538.8564 298.3454 -183700.8794 -149448.5881 298.7901 -58.3647 -25.3503 557090.1224 12.0017 11.7541 PRESSURE: 906600 -97.321 -50.6561 -59.6657 -50.6561 125.864 -45.6486 -59.667 -45.6492 -248.581 GPRESSURE: 906600 -60.1777 -98.2389 -105.371 -39.3905 112.243 -82.4723 -32.7462 -21.049 -175.416 PRESSAVG: 906600 -20.9519 -37.0082 10.6438 -37.0083 24.9389 63.4828 10.6438 63.4829 -1.11668 GPRESSAVG: 906600 -21.2844 -37.8009 8.99977 -36.5671 24.7627 63.6971 9.94299 63.285 -0.449842 TIMING: 906600 CPU: 2632.94, 0.00291415/step Wall: 2632.94, 0.00291415/step, 3.31355 hours remaining, 206.261719 MB of memory in use. ENERGY: 906600 686.6603 2108.5362 1952.1405 100.7745 -206106.9173 17656.9267 0.0000 0.0000 34192.0842 -149409.7950 298.6080 -183601.8792 -149310.5764 299.0602 -73.3459 -41.1169 557638.0734 0.9568 1.0095 PRESSURE: 906800 -248.794 -136.382 -72.9249 -136.382 -254.017 115.312 -72.9254 115.311 5.15768 GPRESSURE: 906800 -176.806 -133.527 -73.7748 -131.431 -210.827 116.728 -6.64532 84.3736 -15.6986 PRESSAVG: 906800 6.43064 -63.7705 -7.90181 -63.7706 40.2286 8.92351 -7.90178 8.92349 -57.5394 GPRESSAVG: 906800 6.68593 -61.9425 -5.93487 -66.8782 40.4946 8.70765 -7.94268 7.30167 -57.9805 TIMING: 906800 CPU: 2633.53, 0.00290679/step Wall: 2633.53, 0.00290679/step, 3.30502 hours remaining, 206.261719 MB of memory in use. ENERGY: 906800 774.0570 2086.8798 1971.5709 115.8045 -206358.5950 17739.3853 0.0000 0.0000 34420.1245 -149250.7730 300.5995 -183670.8975 -149151.0641 299.0616 -165.8846 -134.4438 557007.3086 -3.6267 -3.6000 PRESSURE: 907000 -132.437 -113.839 6.24 -113.838 -279.089 23.9112 6.23929 23.9115 -118.032 GPRESSURE: 907000 -91.2757 -157.06 42.1723 -136.441 -263.183 -44.032 8.76903 93.4262 -71.4599 PRESSAVG: 907000 -26.8279 -56.6582 47.4565 -56.6582 -12.0428 17.7075 47.4564 17.7076 22.7075 GPRESSAVG: 907000 -26.6288 -58.634 47.6737 -54.3211 -11.9458 16.5084 48.0019 20.4667 21.9959 TIMING: 907000 CPU: 2634.11, 0.00292839/step Wall: 2634.11, 0.00292839/step, 3.32941 hours remaining, 206.261719 MB of memory in use. ENERGY: 907000 760.1876 2074.7313 1964.6100 101.5012 -205978.9600 17565.8709 0.0000 0.0000 34331.3522 -149180.7068 299.8242 -183512.0590 -149085.8004 299.4822 -176.5194 -141.9728 556484.4949 -5.3878 -5.5262 PRESSURE: 907200 -40.8347 -182.928 152.055 -182.928 -219.604 -225.834 152.057 -225.834 -155.72 GPRESSURE: 907200 -35.8237 -215.854 124.136 -177.091 -197.951 -277.207 185.284 -205.236 -64.7265 PRESSAVG: 907200 -8.27993 3.86552 -22.2588 3.86551 -17.5952 29.6874 -22.2588 29.6873 22.3452 GPRESSAVG: 907200 -7.951 8.22165 -24.8816 1.1842 -18.2271 29.5914 -22.6859 29.0197 22.2903 TIMING: 907200 CPU: 2634.69, 0.0028972/step Wall: 2634.69, 0.0028972/step, 3.2938 hours remaining, 206.261719 MB of memory in use. ENERGY: 907200 779.1387 2083.9539 1951.2425 122.6299 -206003.2495 17647.9207 0.0000 0.0000 34225.1350 -149193.2288 298.8966 -183418.3638 -149101.9111 299.4875 -138.7196 -99.5006 555994.6541 -1.1767 -1.2959 PRESSURE: 907400 -189.425 11.2249 34.7353 11.2241 4.48848 -89.8819 34.7354 -89.8834 -197.471 GPRESSURE: 907400 -169.775 61.3281 10.5253 -43.4881 30.5812 -26.4006 -57.0455 -157.423 -151.724 PRESSAVG: 907400 -9.36664 -8.84663 52.4405 -8.84662 0.581182 32.9632 52.4406 32.9631 -4.72208 GPRESSAVG: 907400 -11.4462 -11.1031 53.6777 -7.09035 1.07094 34.3391 52.0581 32.1594 -3.69498 TIMING: 907400 CPU: 2635.28, 0.00292662/step Wall: 2635.28, 0.00292662/step, 3.32707 hours remaining, 206.261719 MB of memory in use. ENERGY: 907400 775.7894 2039.3708 1985.2249 126.3546 -205901.1873 17667.5410 0.0000 0.0000 34230.5133 -149076.3933 298.9436 -183306.9066 -148981.9910 298.5983 -127.4692 -96.9727 557284.4251 -4.5025 -4.6901 PRESSURE: 907600 -364.178 -70.1992 125.494 -70.2011 -176.694 -38.54 125.493 -38.5392 -400.787 GPRESSURE: 907600 -317.776 -133.824 12.3179 -48.6378 -141.538 -53.4034 229.783 -8.56631 -385.646 PRESSAVG: 907600 18.9015 -10.8595 18.9175 -10.8594 -4.28008 11.0161 18.9175 11.0162 31.4881 GPRESSAVG: 907600 19.2324 -11.0093 18.5133 -11.0349 -4.92886 10.9344 19.4272 10.3159 31.2603 TIMING: 907600 CPU: 2635.86, 0.00292641/step Wall: 2635.86, 0.00292641/step, 3.32668 hours remaining, 206.261719 MB of memory in use. ENERGY: 907600 779.4868 2140.5177 1960.9023 126.8123 -205673.2183 17286.0117 0.0000 0.0000 34315.0077 -149064.4797 299.6815 -183379.4874 -148967.4743 299.8095 -313.8865 -281.6533 557567.9475 15.3698 15.1879 PRESSURE: 907800 -47.1989 5.72749 -19.4022 5.72637 -166.992 -163.891 -19.402 -163.892 79.2859 GPRESSURE: 907800 -15.3031 44.3604 54.2206 -25.213 -121.548 -200.631 -90.848 -155.626 98.2222 PRESSAVG: 907800 80.5207 -10.6769 19.4832 -10.677 -90.4746 -31.5136 19.4833 -31.5136 18.7084 GPRESSAVG: 907800 81.811 -9.79586 20.8494 -10.1386 -90.2946 -33.4511 18.8914 -31.1424 17.6972 TIMING: 907800 CPU: 2636.45, 0.00291721/step Wall: 2636.45, 0.00291721/step, 3.31606 hours remaining, 206.261719 MB of memory in use. ENERGY: 907800 789.9691 2149.1167 1954.8936 113.1956 -206426.3681 17812.4228 0.0000 0.0000 34399.1519 -149207.6185 300.4163 -183606.7703 -149110.0586 299.5264 -44.9684 -12.8764 557493.7192 2.9182 3.0712 PRESSURE: 908000 -313.439 -125.017 180.839 -125.017 -136.028 77.6183 180.838 77.6172 -91.844 GPRESSURE: 908000 -266.734 -173.902 154.005 -124.65 -69.1529 169.723 185.484 59.7297 -108.666 PRESSAVG: 908000 30.8757 42.041 58.1662 42.041 -9.53619 -39.9537 58.1663 -39.9537 30.9802 GPRESSAVG: 908000 29.7479 39.9102 57.4915 41.4366 -8.3457 -40.1481 58.0405 -39.6911 31.3113 TIMING: 908000 CPU: 2637.03, 0.00293549/step Wall: 2637.03, 0.00293549/step, 3.33667 hours remaining, 206.261719 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: 908000 760.0999 2101.0515 1969.3650 124.9422 -206099.6988 17601.5315 0.0000 0.0000 34407.6858 -149135.0229 300.4909 -183542.7087 -149033.5952 300.1325 -180.4370 -148.1844 559958.8472 17.4399 17.5712 PRESSURE: 908200 -63.9693 92.8661 -122.839 92.8664 60.7721 41.9531 -122.839 41.9532 51.5786 GPRESSURE: 908200 -35.2271 140.167 -89.031 -17.3991 88.1689 47.6368 -169.5 19.6249 98.9573 PRESSAVG: 908200 -9.03756 22.6438 50.5401 22.6437 12.4974 14.2806 50.5399 14.2807 2.37043 GPRESSAVG: 908200 -7.05809 24.6084 51.1047 20.175 11.1682 16.1561 49.5853 13.4072 1.89052 TIMING: 908200 CPU: 2637.62, 0.00292345/step Wall: 2637.62, 0.00292345/step, 3.32282 hours remaining, 206.261719 MB of memory in use. ENERGY: 908200 749.8304 2138.0138 1994.2632 117.2957 -206463.4656 17979.9742 0.0000 0.0000 34461.1303 -149022.9582 300.9576 -183484.0884 -148923.9395 299.4823 16.1271 50.6330 557205.0657 1.9434 2.0002 LDB: ============= START OF LOAD BALANCING ============== 2641.09 LDB: ============== END OF LOAD BALANCING =============== 2641.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2641.09 LDB: ============= START OF LOAD BALANCING ============== 2641.38 LDB: Largest compute 4820 load 0.028527 is 24.3% of average load 0.117568 LDB: Average compute 0.001744 is 1.5% of average load 0.117568 LDB: TIME 2641.38 LOAD: AVG 0.117568 MAX 0.176511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.707 MB LDB: TIME 2641.38 LOAD: AVG 0.117568 MAX 0.176511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: TIME 2641.38 LOAD: AVG 0.117568 MAX 0.176511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: ============== END OF LOAD BALANCING =============== 2641.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2641.39 PRESSURE: 908400 -61.0465 -16.9833 -104.949 -16.9848 -310.905 -222.578 -104.95 -222.578 273.02 GPRESSURE: 908400 42.989 -51.8016 1.5877 -25.2197 -270.343 -252.458 -112.595 -134.526 241.405 PRESSAVG: 908400 -44.4049 57.9906 -42.9545 57.9908 -9.74049 22.3688 -42.9546 22.3689 11.8893 GPRESSAVG: 908400 -45.9022 55.803 -44.7744 60.2778 -8.05821 19.8398 -40.4166 24.882 11.8074 TIMING: 908400 CPU: 2638.21, 0.0029732/step Wall: 2638.21, 0.0029732/step, 3.37921 hours remaining, 204.679688 MB of memory in use. ENERGY: 908400 708.3612 2172.0596 1945.0668 107.2853 -206205.0791 17873.4788 0.0000 0.0000 34188.4207 -149210.4065 298.5760 -183398.8272 -149106.9298 299.3980 -32.9770 4.6836 558117.8229 -14.0854 -14.0510 PRESSURE: 908600 -140.146 -99.1659 -78.6011 -99.1654 43.1776 -78.7516 -78.602 -78.7517 -251.351 GPRESSURE: 908600 -68.6058 -169.691 -5.11547 -40.9744 55.2097 37.184 -62.0863 -114.578 -239.583 PRESSAVG: 908600 -9.34616 -7.20643 -36.2811 -7.20645 -50.099 42.5261 -36.2812 42.526 30.7787 GPRESSAVG: 908600 -9.57896 -5.49967 -34.4128 -6.70775 -51.2862 44.0265 -37.3646 41.3382 32.0922 TIMING: 908600 CPU: 2638.8, 0.00293634/step Wall: 2638.8, 0.00293634/step, 3.33715 hours remaining, 204.726562 MB of memory in use. ENERGY: 908600 754.1745 2078.8859 1958.8087 118.7345 -206245.4535 17680.1477 0.0000 0.0000 34207.8580 -149446.8441 298.7457 -183654.7021 -149345.7627 298.2842 -116.1062 -84.3265 557844.7778 -9.5555 -9.5910 PRESSURE: 908800 -138.836 -69.4046 -28.861 -69.404 -369.306 -124.003 -28.863 -124.002 -228.551 GPRESSURE: 908800 -147.106 -88.4263 -23.3723 -63.9374 -287.308 -99.3916 -36.1059 -30.5836 -202.73 PRESSAVG: 908800 -47.0894 12.0998 20.0744 12.0997 1.06043 -41.9625 20.0744 -41.9624 25.7041 GPRESSAVG: 908800 -46.4112 11.8967 18.7694 13.9472 1.39146 -40.4676 19.3292 -42.2163 24.5518 TIMING: 908800 CPU: 2639.38, 0.00291102/step Wall: 2639.38, 0.00291102/step, 3.30822 hours remaining, 204.726562 MB of memory in use. ENERGY: 908800 743.8047 2069.9000 1967.6824 109.6875 -206016.7558 17479.4616 0.0000 0.0000 34276.5320 -149369.6876 299.3455 -183646.2196 -149273.5346 298.2511 -245.5646 -212.3812 558582.4129 -6.7749 -6.8226 PRESSURE: 909000 539.074 111.911 -6.95371 111.912 46.6268 156.515 -6.95338 156.514 -81.4901 GPRESSURE: 909000 566.334 108.348 102.615 96.765 89.0638 216.87 -110.152 151.461 -57.2836 PRESSAVG: 909000 22.9572 19.1556 35.6659 19.1555 30.787 -25.8822 35.6659 -25.8821 -32.0692 GPRESSAVG: 909000 22.8971 18.1135 37.2213 17.8178 29.991 -26.8606 37.0843 -24.7594 -30.9933 TIMING: 909000 CPU: 2639.97, 0.00293163/step Wall: 2639.97, 0.00293163/step, 3.33147 hours remaining, 204.726562 MB of memory in use. ENERGY: 909000 769.3838 2096.3687 1981.4355 114.5919 -206818.9044 18258.0864 0.0000 0.0000 34376.0932 -149222.9450 300.2150 -183599.0382 -149133.4735 298.7259 168.0701 199.3714 558588.5119 7.2250 7.2982 PRESSURE: 909200 -74.0278 131.881 15.6617 131.881 80.8244 12.3051 15.6617 12.3044 245.828 GPRESSURE: 909200 -22.519 71.4229 -55.9815 204.082 100.511 -18.9953 34.8805 19.8849 270.381 PRESSAVG: 909200 -7.91009 8.09177 -12.347 8.09188 42.8776 11.4355 -12.347 11.4354 -40.887 GPRESSAVG: 909200 -7.18705 7.36878 -14.6033 9.6239 43.8988 9.76702 -12.4623 12.3732 -42.7942 TIMING: 909200 CPU: 2640.55, 0.00292241/step Wall: 2640.55, 0.00292241/step, 3.32083 hours remaining, 204.726562 MB of memory in use. ENERGY: 909200 759.2518 2031.2566 1974.1325 123.9043 -206128.9225 17883.0775 0.0000 0.0000 34130.8707 -149226.4291 298.0734 -183357.2998 -149122.2852 298.9253 84.2083 116.1243 558042.9383 -1.9732 -2.0275 PRESSURE: 909400 163.283 -68.0392 128.914 -68.0376 43.5213 89.0373 128.914 89.0365 17.407 GPRESSURE: 909400 198.77 5.06581 232.497 -106.264 126.344 105.953 62.2799 93.7641 1.00514 PRESSAVG: 909400 46.0294 3.58239 2.4911 3.58236 14.1201 0.302674 2.49102 0.302696 -36.0603 GPRESSAVG: 909400 45.9985 5.55802 4.02426 1.41367 14.5433 2.34268 4.05119 -0.536174 -36.4883 TIMING: 909400 CPU: 2641.14, 0.00294553/step Wall: 2641.14, 0.00294553/step, 3.34694 hours remaining, 204.726562 MB of memory in use. ENERGY: 909400 793.1869 2119.3657 2001.3969 129.3599 -206625.3678 18103.1656 0.0000 0.0000 34092.0844 -149386.8085 297.7347 -183478.8929 -149289.7948 299.1669 74.7370 108.7063 556934.7242 8.0297 8.0178 PRESSURE: 909600 278.833 58.2387 -68.8637 58.2406 5.87904 -52.8376 -68.864 -52.837 -164.305 GPRESSURE: 909600 260.315 31.7495 -1.87386 95.0101 33.1729 -27.1548 -41.0172 -33.3222 -76.0463 PRESSAVG: 909600 29.5352 -2.29726 15.4439 -2.29721 -30.0196 34.8002 15.444 34.8002 48.1146 GPRESSAVG: 909600 29.1096 -2.83711 14.8197 -3.13328 -30.8542 34.6594 14.5856 35.513 49.1928 TIMING: 909600 CPU: 2641.73, 0.0029221/step Wall: 2641.73, 0.0029221/step, 3.32016 hours remaining, 204.726562 MB of memory in use. ENERGY: 909600 735.2475 2108.0282 1976.4732 117.2017 -206492.2944 17923.1844 0.0000 0.0000 34070.5027 -149561.6566 297.5462 -183632.1594 -149467.0198 298.9333 40.1356 72.4805 557125.3884 15.8767 15.8161 PRESSURE: 909800 150.982 -76.1981 -163.369 -76.1978 -47.7017 -24.9943 -163.37 -24.993 60.3468 GPRESSURE: 909800 121.924 -64.6918 -132.626 -83.0168 52.7697 65.3006 -212.594 -73.2458 87.9273 PRESSAVG: 909800 29.2867 20.2818 27.4596 20.2818 -48.1679 74.3803 27.4596 74.3802 3.1563 GPRESSAVG: 909800 29.2774 17.2881 27.592 23.2824 -48.4652 74.7049 26.9274 72.8062 3.48533 TIMING: 909800 CPU: 2642.31, 0.00291114/step Wall: 2642.31, 0.00291114/step, 3.30754 hours remaining, 204.726562 MB of memory in use. ENERGY: 909800 750.0717 2110.6010 2002.3143 124.2178 -206557.4276 17834.8174 0.0000 0.0000 34198.2593 -149537.1461 298.6619 -183735.4055 -149441.8362 298.6035 54.5424 87.5405 556033.5429 -5.2416 -5.2342 PRESSURE: 910000 -74.1692 113.437 -101.938 113.437 -118.817 64.8895 -101.938 64.8896 130.666 GPRESSURE: 910000 -24.9721 130.835 -157.936 40.3617 -52.7526 -2.81398 -121.975 31.3568 115.293 PRESSAVG: 910000 15.6734 56.4857 -48.7711 56.4857 -38.4025 82.0268 -48.7712 82.0268 4.30025 GPRESSAVG: 910000 15.2738 58.6919 -48.4809 54.3817 -38.8426 81.8919 -49.6138 80.7149 4.94416 TIMING: 910000 CPU: 2642.89, 0.00291664/step Wall: 2642.89, 0.00291664/step, 3.31363 hours remaining, 204.726562 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: 910000 776.5326 2098.2557 1985.6509 119.2870 -206750.5695 18004.7471 0.0000 0.0000 34197.7796 -149568.3166 298.6577 -183766.0962 -149476.7337 298.1289 -20.7734 12.5227 557803.3921 -6.1429 -6.2082 PRESSURE: 910200 -183.47 -108.484 110.939 -108.485 36.8422 -150.639 110.94 -150.642 -524.296 GPRESSURE: 910200 -73.2626 -72.5338 79.2763 -91.4866 -10.2016 -152.425 104.589 -144.464 -502.622 PRESSAVG: 910200 -75.1762 6.81006 -47.8605 6.80999 63.9471 -30.4496 -47.8606 -30.4496 13.7762 GPRESSAVG: 910200 -74.67 4.93037 -47.4248 6.64354 63.7876 -30.6321 -47.3599 -30.0956 12.476 TIMING: 910200 CPU: 2643.47, 0.00290271/step Wall: 2643.47, 0.00290271/step, 3.29764 hours remaining, 204.726562 MB of memory in use. ENERGY: 910200 767.9619 2147.6298 1997.8691 115.4863 -206382.5057 17796.1306 0.0000 0.0000 34049.9413 -149507.4867 297.3666 -183557.4280 -149412.2655 298.4479 -223.6413 -195.3620 559429.1776 0.8490 0.5312 PRESSURE: 910400 -79.0286 48.9314 -25.5874 48.9307 -255.301 160.033 -25.5874 160.034 -38.1639 GPRESSURE: 910400 -98.262 -74.5197 -33.0153 112.964 -206.159 265.418 -44.2142 125.962 42.7312 PRESSAVG: 910400 -51.5842 34.7333 28.8256 34.7334 -25.396 -7.39518 28.8256 -7.39516 61.783 GPRESSAVG: 910400 -52.1407 35.4295 29.5433 35.7672 -23.925 -9.67184 30.314 -5.48336 61.0873 TIMING: 910400 CPU: 2644.05, 0.00290238/step Wall: 2644.05, 0.00290238/step, 3.2971 hours remaining, 204.726562 MB of memory in use. ENERGY: 910400 721.1659 2092.2389 1967.4954 119.8491 -206410.9409 17731.7513 0.0000 0.0000 34395.1469 -149383.2935 300.3814 -183778.4404 -149292.8072 299.5680 -124.1646 -87.2301 557682.3517 -5.0657 -4.9928 PRESSURE: 910600 -199.79 -179.001 39.6618 -179 -212.161 -177.665 39.6615 -177.666 24.7263 GPRESSURE: 910600 -175.38 -123.384 174.57 -96.5521 -153.908 -210.011 -97.9041 -148.566 35.7079 PRESSAVG: 910600 61.4446 -1.99253 16.9244 -1.99253 -42.3458 -34.7263 16.9244 -34.7262 15.4279 GPRESSAVG: 910600 61.053 -2.27753 17.5426 -2.42167 -43.3313 -33.3373 14.1377 -35.9146 17.2401 TIMING: 910600 CPU: 2644.63, 0.00290205/step Wall: 2644.63, 0.00290205/step, 3.29657 hours remaining, 204.726562 MB of memory in use. ENERGY: 910600 757.9041 2111.6168 1965.5624 118.2255 -206184.7484 17752.3655 0.0000 0.0000 34097.2262 -149381.8480 297.7796 -183479.0742 -149286.2798 298.9455 -129.0750 -97.8603 558471.2286 11.5089 11.6539 PRESSURE: 910800 -61.0917 -29.0311 50.423 -29.0312 23.7467 -131.676 50.4226 -131.676 78.4304 GPRESSURE: 910800 -48.2409 -89.406 90.0014 93.7459 78.4719 -145.257 3.46088 -93.6005 99.6755 PRESSAVG: 910800 -70.0879 3.57219 26.0519 3.57214 18.6016 -5.01604 26.0519 -5.01607 55.0118 GPRESSAVG: 910800 -69.2223 4.01101 25.0329 4.10183 18.3563 -5.00813 27.7575 -5.83174 54.2888 TIMING: 910800 CPU: 2645.21, 0.002888/step Wall: 2645.21, 0.002888/step, 3.28045 hours remaining, 204.726562 MB of memory in use. ENERGY: 910800 703.9850 2106.8333 1964.2574 104.9092 -206583.6818 17924.5479 0.0000 0.0000 34123.7562 -149655.3930 298.0112 -183779.1491 -149552.6086 298.2051 13.6951 43.3022 557741.2438 1.1752 1.1409 PRESSURE: 911000 219.895 97.9407 -99.26 97.9409 108.087 -117.662 -99.2599 -117.66 10.8958 GPRESSURE: 911000 238.743 31.0513 -77.4352 117.244 143.834 -192.874 -102.217 -125.334 54.4838 PRESSAVG: 911000 -11.4655 45.7969 -25.4985 45.7969 1.97877 -57.5879 -25.4985 -57.588 39.366 GPRESSAVG: 911000 -12.374 46.5988 -25.2297 44.0822 2.192 -57.63 -25.6483 -57.4738 39.4691 TIMING: 911000 CPU: 2645.79, 0.00291217/step Wall: 2645.79, 0.00291217/step, 3.30774 hours remaining, 204.726562 MB of memory in use. ENERGY: 911000 717.3513 2049.7430 1972.7291 98.8848 -206527.2093 17916.8593 0.0000 0.0000 34176.6079 -149595.0338 298.4728 -183771.6417 -149497.2390 297.8713 112.9592 145.6869 556017.7142 9.9598 9.7624 PRESSURE: 911200 102.567 -29.4144 -144.802 -29.4146 13.0331 -105.122 -144.802 -105.124 273.098 GPRESSURE: 911200 213.659 99.5236 -152.533 -95.455 -2.54185 -138.423 -110.033 -74.6395 285.935 PRESSAVG: 911200 -8.735 0.924033 10.4104 0.92395 20.8725 -49.5682 10.4104 -49.568 -5.18736 GPRESSAVG: 911200 -7.56047 0.542172 11.2529 1.55621 19.8156 -48.9854 11.5081 -47.291 -5.43158 TIMING: 911200 CPU: 2646.38, 0.00291345/step Wall: 2646.38, 0.00291345/step, 3.30904 hours remaining, 204.726562 MB of memory in use. ENERGY: 911200 697.0739 2036.2160 1958.2496 108.9740 -206678.5181 18056.3873 0.0000 0.0000 34317.1684 -149504.4489 299.7004 -183821.6173 -149415.0983 298.5313 129.5660 165.6842 556469.9833 2.3167 2.2745 PRESSURE: 911400 -33.6736 -55.0465 -29.4655 -55.0466 -215.213 -15.8461 -29.4657 -15.846 -245.26 GPRESSURE: 911400 -30.6713 -96.8917 -27.6722 -35.7673 -108.66 -16.3541 -50.7062 5.66827 -255.386 PRESSAVG: 911400 74.1644 -11.8442 18.4937 -11.8441 -45.5438 -14.208 18.4937 -14.208 -27.4836 GPRESSAVG: 911400 72.9614 -12.1225 17.1613 -11.314 -43.9206 -14.6117 15.6643 -16.0742 -27.4434 TIMING: 911400 CPU: 2646.96, 0.00293/step Wall: 2646.96, 0.00293/step, 3.32767 hours remaining, 204.726562 MB of memory in use. ENERGY: 911400 782.0330 2073.7850 1959.2791 102.1416 -206207.6152 17730.2686 0.0000 0.0000 34114.2332 -149445.8746 297.9281 -183560.1078 -149352.6284 297.9597 -164.7157 -131.5726 558779.9341 0.3790 0.5325 PRESSURE: 911600 152.815 24.9411 72.1044 24.9419 1.70133 59.7376 72.1041 59.738 -134.108 GPRESSURE: 911600 141.064 -20.0117 112.436 43.8207 48.6211 97.839 31.7678 108.321 -65.1333 PRESSAVG: 911600 59.1853 9.02756 -18.1071 9.02761 -33.3109 -38.6713 -18.1072 -38.6711 -18.9654 GPRESSAVG: 911600 58.0759 10.8248 -17.3142 7.84475 -32.3493 -38.2429 -16.1333 -40.3037 -18.9622 TIMING: 911600 CPU: 2647.54, 0.00290565/step Wall: 2647.54, 0.00290565/step, 3.29985 hours remaining, 204.726562 MB of memory in use. ENERGY: 911600 773.3812 2108.1101 1951.9645 111.0419 -206635.8964 18028.9361 0.0000 0.0000 34107.9812 -149554.4814 297.8735 -183662.4626 -149454.3554 298.3064 6.8026 41.5173 557326.3442 2.3030 2.2548 PRESSURE: 911800 70.4128 8.15474 10.009 8.15496 95.6932 89.866 10.0095 89.8652 133.954 GPRESSURE: 911800 116.403 19.3895 26.8299 -38.096 91.6373 52.9247 88.6765 56.8174 190.337 PRESSAVG: 911800 22.4404 -31.8955 22.1977 -31.8955 -69.9886 35.4063 22.1977 35.4062 60.923 GPRESSAVG: 911800 23.6518 -34.923 22.1245 -28.8259 -71.2448 32.8883 21.6415 36.2254 61.0504 TIMING: 911800 CPU: 2648.13, 0.00291875/step Wall: 2648.13, 0.00291875/step, 3.31456 hours remaining, 204.726562 MB of memory in use. ENERGY: 911800 757.1559 2083.6973 1987.9728 111.3809 -206667.0493 18019.1059 0.0000 0.0000 34234.8828 -149472.8537 298.9817 -183707.7365 -149382.7200 297.9142 100.0200 132.7924 556443.5070 4.4583 4.4858 PRESSURE: 912000 131.562 67.1236 175.828 67.124 90.7954 136.809 175.827 136.81 -175.14 GPRESSURE: 912000 215.099 26.2537 165.424 28.5327 114.732 53.9439 123.685 202.696 -178.128 PRESSAVG: 912000 15.4222 6.18798 2.06797 6.18803 -5.76284 16.5622 2.06795 16.5622 -7.69622 GPRESSAVG: 912000 15.3411 8.37423 2.49691 3.03347 -4.96451 14.6881 3.43769 17.8069 -7.70957 TIMING: 912000 CPU: 2648.71, 0.00292052/step Wall: 2648.71, 0.00292052/step, 3.31641 hours remaining, 204.726562 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: 912000 757.9378 2060.7748 1952.3807 121.2888 -206788.6924 17992.4124 0.0000 0.0000 34300.0552 -149603.8426 299.5509 -183903.8979 -149504.9907 298.1934 15.7393 50.5676 556866.9661 0.6544 0.8890 PRESSURE: 912200 -8.85844 49.8277 101.126 49.8286 -210.963 60.0217 101.129 60.0213 -49.1532 GPRESSURE: 912200 26.4667 143.631 82.0698 16.5995 -195.754 20.3473 83.9703 93.9745 9.2383 PRESSAVG: 912200 51.5156 39.0918 8.99326 39.0918 -35.0844 4.48779 8.99321 4.48776 -32.3899 GPRESSAVG: 912200 53.0421 42.1539 8.06589 36.6961 -36.5848 7.3842 7.35698 3.48807 -32.2545 TIMING: 912200 CPU: 2649.29, 0.00288409/step Wall: 2649.29, 0.00288409/step, 3.27489 hours remaining, 204.726562 MB of memory in use. ENERGY: 912200 766.3881 2082.6181 2009.8238 121.7562 -206450.6168 17728.8285 0.0000 0.0000 34237.8198 -149503.3823 299.0074 -183741.2021 -149405.6262 298.5653 -89.6582 -53.3496 556843.2951 -5.3196 -5.2657 LDB: ============= START OF LOAD BALANCING ============== 2652.75 LDB: ============== END OF LOAD BALANCING =============== 2652.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2652.75 LDB: ============= START OF LOAD BALANCING ============== 2653.04 LDB: Largest compute 4820 load 0.027939 is 23.8% of average load 0.117638 LDB: Average compute 0.001742 is 1.5% of average load 0.117638 LDB: TIME 2653.05 LOAD: AVG 0.117638 MAX 0.177463 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.406 MB LDB: TIME 2653.05 LOAD: AVG 0.117638 MAX 0.177463 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.477 MB LDB: TIME 2653.05 LOAD: AVG 0.117638 MAX 0.177463 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2653.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2653.05 PRESSURE: 912400 192.42 -50.9726 -50.3953 -50.9722 159.555 -56.2575 -50.3952 -56.2562 -18.5651 GPRESSURE: 912400 242.984 -25.0879 -18.0779 -97.2923 163.324 -170.827 -142.544 15.9696 29.4675 PRESSAVG: 912400 44.6343 24.3371 -4.0956 24.337 -71.3644 -47.2284 -4.09559 -47.2284 23.6223 GPRESSAVG: 912400 43.4793 20.8854 -4.58931 27.8293 -70.3344 -46.665 -4.3258 -47.2375 23.4254 TIMING: 912400 CPU: 2649.88, 0.00294688/step Wall: 2649.88, 0.00294688/step, 3.34602 hours remaining, 204.445312 MB of memory in use. ENERGY: 912400 760.6718 2044.7855 1994.6364 110.6271 -207021.9389 18230.7143 0.0000 0.0000 34425.7254 -149454.7784 300.6484 -183880.5038 -149357.4051 298.0836 111.1368 145.2585 556205.7221 -1.0359 -1.1433 PRESSURE: 912600 63.3757 -1.69737 -172.37 -1.69768 -63.0954 -27.5357 -172.37 -27.5362 -262.948 GPRESSURE: 912600 100.771 2.6159 -73.8212 -30.2747 -39.9571 -49.3314 -178.791 0.622697 -208.126 PRESSAVG: 912600 17.3359 -18.2308 18.1992 -18.2308 7.46223 -15.0095 18.1991 -15.0095 -43.771 GPRESSAVG: 912600 16.9257 -17.5157 19.5194 -18.9277 7.24663 -16.2743 18.8704 -13.3369 -43.1469 TIMING: 912600 CPU: 2650.46, 0.00292163/step Wall: 2650.46, 0.00292163/step, 3.31718 hours remaining, 204.648438 MB of memory in use. ENERGY: 912600 710.9129 2110.5046 1999.9338 125.4522 -206158.2381 17746.1506 0.0000 0.0000 33824.2672 -149641.0168 295.3957 -183465.2841 -149553.5197 298.5244 -87.5560 -49.1042 558485.7370 -6.3243 -6.3248 PRESSURE: 912800 -212.217 -61.4816 -21.2186 -61.481 -169.433 -43.5841 -21.2186 -43.5829 -144.155 GPRESSURE: 912800 -219.395 -117.616 23.4431 -32.7004 -132.313 -86.6662 35.2343 21.927 -80.6356 PRESSAVG: 912800 101.448 -6.09883 -62.2186 -6.09875 -6.6013 -21.7608 -62.2185 -21.7607 -48.103 GPRESSAVG: 912800 101.962 -6.92799 -63.7328 -5.41285 -6.33093 -21.3597 -62.6059 -22.6276 -48.648 TIMING: 912800 CPU: 2651.04, 0.00291315/step Wall: 2651.04, 0.00291315/step, 3.30739 hours remaining, 204.648438 MB of memory in use. ENERGY: 912800 726.2474 2143.4857 1985.0268 102.9884 -206260.5330 17579.4495 0.0000 0.0000 34067.9644 -149655.3709 297.5240 -183723.3353 -149563.4038 297.6837 -175.2684 -144.1145 557293.1639 15.5811 15.6609 PRESSURE: 913000 -124.312 -13.1289 56.1758 -13.1291 78.1683 37.3045 56.1755 37.3065 -29.8137 GPRESSURE: 913000 -87.7185 -37.3922 64.7828 10.9487 79.7883 14.1275 83.4226 90.3314 29.871 PRESSAVG: 913000 67.2359 -33.9961 37.681 -33.9961 -48.1345 44.7551 37.681 44.7552 -46.3042 GPRESSAVG: 913000 67.4287 -33.8972 37.7454 -34.5415 -47.9133 44.5365 36.5733 43.828 -46.885 TIMING: 913000 CPU: 2651.63, 0.00293566/step Wall: 2651.63, 0.00293566/step, 3.33279 hours remaining, 204.648438 MB of memory in use. ENERGY: 913000 718.6292 2078.0194 1973.0727 101.8940 -206478.5512 17819.7723 0.0000 0.0000 34040.7618 -149746.4018 297.2864 -183787.1636 -149643.5535 298.1601 -25.3192 7.3136 558015.5455 -9.0676 -9.1232 PRESSURE: 913200 65.4079 94.9595 -127.588 94.96 -151.518 71.8932 -127.589 71.894 100.29 GPRESSURE: 913200 68.785 130.305 -61.0328 43.5622 -75.6309 74.8877 -172.237 -38.6218 117.529 PRESSAVG: 913200 -73.3945 17.6898 -29.6281 17.6898 0.861746 -3.15056 -29.628 -3.15064 66.5175 GPRESSAVG: 913200 -74.1216 17.786 -29.1732 16.5652 0.655615 -3.58198 -29.8269 -3.04124 67.0584 TIMING: 913200 CPU: 2652.21, 0.00292036/step Wall: 2652.21, 0.00292036/step, 3.31526 hours remaining, 204.648438 MB of memory in use. ENERGY: 913200 753.0513 2107.3427 1944.6062 121.6621 -206556.2700 17898.4782 0.0000 0.0000 34142.0328 -149589.0968 298.1709 -183731.1295 -149502.0189 297.9094 4.7265 36.8942 557004.1806 -2.0051 -2.1359 PRESSURE: 913400 266.199 -137.436 138.68 -137.436 119.445 57.2245 138.681 57.2229 67.5745 GPRESSURE: 913400 264.532 -139.404 47.2798 -142.516 153.23 26.568 175.044 76.9628 139.6 PRESSAVG: 913400 2.5739 15.3564 -45.3047 15.3564 -38.0275 -2.13019 -45.3047 -2.13015 44.968 GPRESSAVG: 913400 3.51655 16.9845 -45.2769 16.3672 -39.5833 -2.49639 -44.8721 -0.862568 45.1547 TIMING: 913400 CPU: 2652.8, 0.00291918/step Wall: 2652.8, 0.00291918/step, 3.31375 hours remaining, 204.648438 MB of memory in use. ENERGY: 913400 716.2756 2096.4748 1983.2394 109.7826 -206639.4749 17917.4514 0.0000 0.0000 34430.6347 -149385.6164 300.6913 -183816.2510 -149285.6488 298.5252 151.0728 185.7872 555535.4994 3.1715 3.0293 PRESSURE: 913600 97.7788 -114.333 14.4848 -114.331 -43.0113 125.86 14.4838 125.859 106.463 GPRESSURE: 913600 159.575 -78.0813 -19.1964 -138.782 -35.3954 237.838 63.6611 66.3988 131.835 PRESSAVG: 913600 -13.7348 -12.1956 6.24183 -12.1955 37.6226 -41.657 6.24172 -41.6569 10.9496 GPRESSAVG: 913600 -14.5852 -13.6561 6.64347 -11.0285 38.1823 -40.3292 8.08591 -43.9006 10.486 TIMING: 913600 CPU: 2653.38, 0.00289997/step Wall: 2653.38, 0.00289997/step, 3.29179 hours remaining, 204.648438 MB of memory in use. ENERGY: 913600 757.1449 2126.4076 1970.8903 92.2685 -206393.2470 17854.1007 0.0000 0.0000 34394.2588 -149198.1762 300.3736 -183592.4350 -149104.7777 299.7948 53.7434 85.3382 557228.9251 11.6125 11.3611 PRESSURE: 913800 -123.788 -16.9803 99.486 -16.9804 225.513 -192.758 99.4853 -192.758 262.613 GPRESSURE: 913800 -28.5394 37.9532 88.1129 -80.7971 256.429 -188.185 95.7233 -191.44 233.551 PRESSAVG: 913800 1.60037 -21.4216 -0.913668 -21.4216 -49.6364 18.3291 -0.913635 18.329 -23.3703 GPRESSAVG: 913800 3.18497 -21.9015 -2.29922 -21.8938 -51.1418 19.0944 -0.251774 17.3784 -23.633 TIMING: 913800 CPU: 2653.95, 0.00286377/step Wall: 2653.95, 0.00286377/step, 3.25054 hours remaining, 204.648438 MB of memory in use. ENERGY: 913800 736.9851 2076.1059 1977.6013 124.7097 -206555.2785 18130.9296 0.0000 0.0000 34475.9261 -149033.0207 301.0868 -183508.9468 -148939.7561 299.8310 121.4462 153.8136 557368.6088 -23.8021 -23.8633 PRESSURE: 914000 -0.702344 26.617 -124.388 26.6158 11.876 120.594 -124.388 120.595 -172.222 GPRESSURE: 914000 20.1026 8.80683 -118.653 25.487 15.3104 102.58 -103.243 75.8132 -102.31 PRESSAVG: 914000 37.2344 39.1383 -4.93574 39.1384 8.46772 13.3776 -4.93571 13.3776 -9.8021 GPRESSAVG: 914000 35.8591 40.0674 -2.97463 39.1051 10.2755 13.5667 -7.23777 12.8364 -10.5125 TIMING: 914000 CPU: 2654.53, 0.00288987/step Wall: 2654.53, 0.00288987/step, 3.28001 hours remaining, 204.648438 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: 914000 762.7496 2033.2360 1990.2417 120.3919 -206235.1297 18043.7578 0.0000 0.0000 34122.2717 -149162.4811 297.9983 -183284.7527 -149072.5824 299.0021 -53.6828 -22.2991 557608.8921 11.9667 11.8741 PRESSURE: 914200 -74.1181 -46.1293 12.3426 -46.1296 -160.176 -61.3986 12.3426 -61.3968 -198.509 GPRESSURE: 914200 -33.0437 -90.7522 136.233 8.02715 -132.352 -148.227 -73.5263 -16.5572 -162.428 PRESSAVG: 914200 -1.76238 -10.9747 -17.2024 -10.9747 49.1153 -24.0703 -17.2024 -24.0704 -95.3396 GPRESSAVG: 914200 -1.26955 -11.8884 -17.0599 -9.55395 49.1788 -25.3106 -14.6561 -23.1082 -96.2815 TIMING: 914200 CPU: 2655.11, 0.00288875/step Wall: 2655.11, 0.00288875/step, 3.27857 hours remaining, 204.648438 MB of memory in use. ENERGY: 914200 762.7983 2104.2318 1969.8883 114.5209 -205904.4595 17548.3068 0.0000 0.0000 34290.3648 -149114.3487 299.4663 -183404.7135 -149019.9871 299.5279 -144.2678 -109.2748 557667.5616 -15.9955 -16.1241 PRESSURE: 914400 22.8727 -62.6959 -65.5228 -62.6958 142.652 134.705 -65.5213 134.705 53.9706 GPRESSURE: 914400 20.9617 -84.6586 37.749 -91.7506 189.173 151.008 -97.6306 183.064 113.041 PRESSAVG: 914400 0.84681 23.8929 -18.6444 23.8929 44.2206 61.7622 -18.6444 61.7624 -22.1772 GPRESSAVG: 914400 1.00669 25.5469 -20.6259 22.0276 42.7501 62.2214 -19.1454 61.4717 -20.8602 TIMING: 914400 CPU: 2655.68, 0.00288704/step Wall: 2655.68, 0.00288704/step, 3.27646 hours remaining, 204.648438 MB of memory in use. ENERGY: 914400 731.0607 2062.4374 1976.9249 120.3289 -206124.1329 17928.3711 0.0000 0.0000 34206.7737 -149098.2362 298.7363 -183305.0099 -148999.9088 299.7536 73.1651 107.7253 556703.8448 7.6301 7.6322 PRESSURE: 914600 -0.541772 -189.766 64.9893 -189.765 21.56 117.353 64.9896 117.356 115.443 GPRESSURE: 914600 21.817 -252.687 52.621 -164.208 103.388 173.986 125.759 125.475 107.378 PRESSAVG: 914600 0.53678 -15.165 84.4872 -15.165 41.5039 41.1194 84.4872 41.1193 -12.5136 GPRESSAVG: 914600 -0.688622 -16.895 83.9271 -14.6781 42.2778 39.8597 83.8352 41.8821 -11.9876 TIMING: 914600 CPU: 2656.26, 0.00289712/step Wall: 2656.26, 0.00289712/step, 3.28775 hours remaining, 204.648438 MB of memory in use. ENERGY: 914600 738.1999 2119.9507 1977.2204 103.1937 -205984.1300 17877.8440 0.0000 0.0000 34262.1644 -148905.5569 299.2200 -183167.7213 -148803.1844 299.7078 45.4870 77.5274 558000.5816 9.8424 9.8672 PRESSURE: 914800 -97.1348 72.6518 136.631 72.652 -117.84 -97.1581 136.631 -97.1562 -220.005 GPRESSURE: 914800 6.1266 91.7894 100.378 33.4706 -96.2141 -78.056 170.224 -72.0505 -245.563 PRESSAVG: 914800 41.9669 58.7941 -13.7265 58.7941 -16.8402 36.8929 -13.7265 36.893 -5.2115 GPRESSAVG: 914800 42.6565 60.2812 -11.9937 58.7997 -17.3656 37.4341 -14.4273 37.6901 -5.36539 TIMING: 914800 CPU: 2656.84, 0.0028967/step Wall: 2656.84, 0.0028967/step, 3.28711 hours remaining, 204.648438 MB of memory in use. ENERGY: 914800 753.0405 2045.8511 1981.7786 110.8785 -205999.8728 17713.4393 0.0000 0.0000 34288.2409 -149106.6439 299.4477 -183394.8848 -149004.0009 299.1552 -144.9934 -111.8836 558425.6197 6.6384 6.6419 PRESSURE: 915000 -241.163 -24.6343 -98.6088 -24.6331 -151.639 -72.4388 -98.6096 -72.4393 208.085 GPRESSURE: 915000 -229.674 1.14187 -91.6645 -20.1295 -76.5769 -43.0406 -67.158 -48.2127 220.27 PRESSAVG: 915000 9.55851 -0.305101 -34.7661 -0.305023 -76.8823 32.8333 -34.7661 32.8332 73.4175 GPRESSAVG: 915000 8.77233 -2.70716 -34.3263 0.76977 -76.6353 31.2333 -35.9287 35.3699 73.9906 TIMING: 915000 CPU: 2657.42, 0.00289924/step Wall: 2657.42, 0.00289924/step, 3.28983 hours remaining, 204.648438 MB of memory in use. ENERGY: 915000 754.4922 2022.1633 1968.2531 119.9500 -206180.8197 17826.2424 0.0000 0.0000 34289.7665 -149199.9524 299.4611 -183489.7188 -149096.5380 299.4418 -61.5723 -28.6604 556907.1219 2.0312 2.0426 PRESSURE: 915200 -65.3072 -54.6377 60.6431 -54.6367 109.091 112.926 60.6431 112.926 -378.972 GPRESSURE: 915200 -62.8579 -80.0551 -63.1916 -72.3577 142.16 148.138 99.9665 150.302 -321.012 PRESSAVG: 915200 -34.0963 -67.8265 -30.3898 -67.8265 -24.9891 31.5076 -30.3898 31.5075 50.0778 GPRESSAVG: 915200 -33.7608 -66.4001 -33.4718 -70.3853 -24.9523 33.1623 -26.3441 29.016 49.0539 TIMING: 915200 CPU: 2658.01, 0.0029204/step Wall: 2658.01, 0.0029204/step, 3.31368 hours remaining, 204.648438 MB of memory in use. ENERGY: 915200 753.3868 2083.8838 1952.8078 111.2074 -206340.0899 17825.9554 0.0000 0.0000 34283.6560 -149329.1926 299.4077 -183612.8486 -149227.5227 298.9956 -111.7293 -80.5698 559410.0998 -3.0026 -3.2197 PRESSURE: 915400 94.3324 16.9608 -6.51177 16.9599 80.1257 41.8769 -6.5117 41.8778 -19.1635 GPRESSURE: 915400 113.59 -43.7564 -67.7899 73.8583 155.329 -14.5022 -29.7643 -8.39896 -13.4712 PRESSAVG: 915400 -5.76043 -32.1836 25.1525 -32.1837 -14.761 -36.4169 25.1524 -36.417 -10.9146 GPRESSAVG: 915400 -4.79091 -33.4697 27.2997 -30.784 -15.4408 -37.6241 23.6961 -37.648 -10.6262 TIMING: 915400 CPU: 2658.59, 0.00290003/step Wall: 2658.59, 0.00290003/step, 3.29041 hours remaining, 204.773438 MB of memory in use. ENERGY: 915400 723.0779 2146.4921 1947.1088 93.6338 -206261.3256 17815.1297 0.0000 0.0000 34083.1170 -149452.7664 297.6563 -183535.8834 -149355.9197 298.3531 51.7649 85.1493 557228.9877 -10.4787 -10.2860 PRESSURE: 915600 24.644 -120.979 -90.9542 -120.978 -22.2591 -50.2031 -90.9553 -50.2037 28.1266 GPRESSURE: 915600 44.288 -56.4771 -61.4459 -210.202 -0.396945 11.5664 -89.5914 -93.7871 80.865 PRESSAVG: 915600 56.7028 41.5482 -37.3191 41.5482 15.3318 12.3941 -37.3191 12.394 -57.7964 GPRESSAVG: 915600 55.9161 43.0129 -36.2692 40.3334 16.4639 14.0766 -38.8686 13.6729 -58.3583 TIMING: 915600 CPU: 2659.17, 0.0029085/step Wall: 2659.17, 0.0029085/step, 3.29986 hours remaining, 204.773438 MB of memory in use. ENERGY: 915600 722.6067 2128.0834 1966.7757 126.4500 -206161.6805 17748.2857 0.0000 0.0000 34102.3842 -149367.0948 297.8246 -183469.4789 -149273.0134 298.8041 10.1705 41.5853 557365.0558 4.7461 4.6739 PRESSURE: 915800 -64.6688 -245.806 145.056 -245.807 31.6811 -74.8992 145.058 -74.8997 -47.0544 GPRESSURE: 915800 -32.5602 -222.454 142.057 -204.968 73.995 -65.5048 80.6516 -35.9263 -35.4117 PRESSAVG: 915800 -5.09321 -27.107 3.8761 -27.107 -37.7568 -17.0517 3.87608 -17.0518 47.7574 GPRESSAVG: 915800 -5.44566 -27.3142 2.40186 -26.8134 -37.3169 -17.105 4.67843 -17.093 47.6848 TIMING: 915800 CPU: 2659.75, 0.00291108/step Wall: 2659.75, 0.00291108/step, 3.30261 hours remaining, 204.773438 MB of memory in use. ENERGY: 915800 758.1642 2011.8928 1924.7607 124.1262 -206396.0290 17911.5916 0.0000 0.0000 34306.8796 -149358.6139 299.6105 -183665.4935 -149258.6839 298.7464 -26.6807 2.0077 558817.6522 1.6358 1.6407 PRESSURE: 916000 -171.169 8.09559 152.401 8.09562 39.2916 111.883 152.401 111.882 -155.859 GPRESSURE: 916000 -160.694 -19.8268 217.025 -47.5988 46.6044 138.558 126.144 91.9131 -68.5439 PRESSAVG: 916000 13.2502 -7.48001 28.3476 -7.48 13.9399 -1.90556 28.3476 -1.90557 -36.2474 GPRESSAVG: 916000 15.404 -8.20635 27.5013 -6.74949 12.6817 -1.98249 28.739 -2.66242 -37.4495 TIMING: 916000 CPU: 2660.34, 0.00292343/step Wall: 2660.34, 0.00292343/step, 3.31647 hours remaining, 204.773438 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: 916000 773.8471 2054.9548 1957.6218 114.4197 -206040.1556 17688.7467 0.0000 0.0000 34108.4429 -149342.1227 297.8775 -183450.5656 -149241.0137 298.7037 -95.9124 -60.8778 557040.2324 -3.0191 -3.1213 PRESSURE: 916200 -47.7967 23.3657 -101.652 23.3656 211 -71.7929 -101.653 -71.792 -22.152 GPRESSURE: 916200 8.99569 -35.3518 -107.944 71.3096 200.388 13.5922 -103.026 15.1841 34.3044 PRESSAVG: 916200 -17.4355 -23.2278 30.2414 -23.2278 34.7937 20.689 30.2415 20.689 -54.977 GPRESSAVG: 916200 -18.9756 -22.1062 30.7468 -21.7907 33.308 19.466 30.4661 24.6441 -53.0814 TIMING: 916200 CPU: 2660.92, 0.00291795/step Wall: 2660.92, 0.00291795/step, 3.31009 hours remaining, 204.773438 MB of memory in use. ENERGY: 916200 730.4940 2042.9626 1935.0479 109.7319 -206228.8305 17806.7450 0.0000 0.0000 34442.4221 -149161.4269 300.7942 -183603.8491 -149068.3602 298.8879 47.0171 81.2294 558387.3777 -12.5396 -12.9163 LDB: ============= START OF LOAD BALANCING ============== 2664.39 LDB: ============== END OF LOAD BALANCING =============== 2664.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2664.39 LDB: ============= START OF LOAD BALANCING ============== 2664.68 LDB: Largest compute 4820 load 0.029260 is 24.9% of average load 0.117601 LDB: Average compute 0.001734 is 1.5% of average load 0.117601 LDB: TIME 2664.68 LOAD: AVG 0.117601 MAX 0.177892 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.281 MB LDB: TIME 2664.68 LOAD: AVG 0.117601 MAX 0.177892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: TIME 2664.68 LOAD: AVG 0.117601 MAX 0.177892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: ============== END OF LOAD BALANCING =============== 2664.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2664.69 PRESSURE: 916400 -47.7503 -89.5806 4.76843 -89.5802 15.0582 110.185 4.76746 110.184 -47.1191 GPRESSURE: 916400 -49.0609 17.0108 -0.579656 -116.803 89.2791 170.018 31.3038 110.834 -26.4924 PRESSAVG: 916400 -15.5124 40.3553 -18.3381 40.3553 -1.01538 88.4761 -18.3381 88.4761 33.4582 GPRESSAVG: 916400 -14.5496 41.2935 -19.4164 39.2049 0.11993 88.0535 -17.4707 85.1184 30.7421 TIMING: 916400 CPU: 2661.51, 0.00296523/step Wall: 2661.51, 0.00296523/step, 3.36356 hours remaining, 203.460938 MB of memory in use. ENERGY: 916400 730.0747 2156.4452 1959.4801 114.0249 -205734.9576 17461.4460 0.0000 0.0000 34192.8807 -149120.6059 298.6149 -183313.4866 -149020.5616 299.2091 -26.6037 4.5753 557130.2604 5.6435 5.4375 PRESSURE: 916600 41.2399 -85.7517 -146.756 -85.7508 45.4353 -63.8399 -146.757 -63.8391 60.4107 GPRESSURE: 916600 65.0317 -27.0348 -138.993 -211.88 122.531 -75.0024 -163.085 -9.6616 71.384 PRESSAVG: 916600 -97.997 -58.3769 -48.4199 -58.3769 73.0119 -5.52593 -48.4199 -5.52592 6.89184 GPRESSAVG: 916600 -98.7448 -60.2134 -47.2558 -58.4121 72.4751 -4.7267 -48.8445 -5.87531 8.0776 TIMING: 916600 CPU: 2662.09, 0.00290785/step Wall: 2662.09, 0.00290785/step, 3.29831 hours remaining, 203.664062 MB of memory in use. ENERGY: 916600 764.2072 2155.7902 1967.0120 112.9164 -206636.2249 18031.3096 0.0000 0.0000 34464.3146 -149140.6748 300.9854 -183604.9894 -149048.7670 300.1969 49.0286 86.3154 556767.5190 -6.0311 -6.0640 PRESSURE: 916800 113.558 -187.785 -99.1399 -187.785 18.193 -25.9256 -99.14 -25.9257 -48.4288 GPRESSURE: 916800 199.289 -186.86 -173.356 -123.515 43.2507 -40.04 -31.3631 21.9644 -55.0422 PRESSAVG: 916800 -7.62501 -35.0326 11.7756 -35.0326 32.156 -36.5046 11.7756 -36.5047 -36.6904 GPRESSAVG: 916800 -7.4471 -33.3417 12.336 -35.1386 32.7013 -36.3513 11.5071 -35.1107 -37.4948 TIMING: 916800 CPU: 2662.68, 0.00292787/step Wall: 2662.68, 0.00292787/step, 3.32085 hours remaining, 203.664062 MB of memory in use. ENERGY: 916800 707.9634 2109.1248 1960.7233 117.1447 -206146.4509 17798.1862 0.0000 0.0000 34255.5858 -149197.7227 299.1626 -183453.3085 -149104.3596 299.1285 27.7741 62.4993 558749.7961 -4.0531 -4.0802 PRESSURE: 917000 0.386115 31.5798 -303.394 31.5795 37.2946 -150.558 -303.393 -150.558 311.797 GPRESSURE: 917000 5.63391 5.23477 -357.299 42.0376 46.9122 -49.5231 -198.13 -118.103 386.045 PRESSAVG: 917000 -27.2925 -14.8871 -8.29675 -14.887 17.3005 -4.71616 -8.29674 -4.71609 -42.3862 GPRESSAVG: 917000 -28.2879 -16.2217 -8.25094 -13.4215 17.0632 -4.57513 -10.0461 -6.04226 -40.8174 TIMING: 917000 CPU: 2663.27, 0.00293328/step Wall: 2663.27, 0.00293328/step, 3.32683 hours remaining, 203.664062 MB of memory in use. ENERGY: 917000 734.4669 2107.4261 1954.4040 111.8122 -206232.8310 18034.6469 0.0000 0.0000 34342.3647 -148947.7103 299.9204 -183290.0750 -148847.0153 299.4291 116.4927 146.1972 558365.7343 -17.4594 -17.3474 PRESSURE: 917200 5.10453 -16.4088 82.6553 -16.409 73.5616 145.919 82.657 145.919 -153.084 GPRESSURE: 917200 33.8828 -28.1649 5.35935 -116.051 97.192 192.893 175.178 55.1928 -111.433 PRESSAVG: 917200 67.7662 -35.1597 -54.8046 -35.1597 -42.8304 19.6112 -54.8046 19.6112 30.1903 GPRESSAVG: 917200 68.7567 -36.0268 -54.2867 -35.409 -43.826 19.4042 -53.0943 21.3682 30.4045 TIMING: 917200 CPU: 2663.85, 0.00290617/step Wall: 2663.85, 0.00290617/step, 3.29592 hours remaining, 203.664062 MB of memory in use. ENERGY: 917200 768.7357 2089.7443 1961.8072 115.0354 -206245.5474 17803.7392 0.0000 0.0000 34540.9664 -148965.5193 301.6549 -183506.4857 -148862.1010 299.6602 -24.8060 6.5472 557707.2030 18.3754 18.4450 PRESSURE: 917400 106.436 -69.8163 143.794 -69.8168 -92.1325 -27.4785 143.794 -27.4785 223.356 GPRESSURE: 917400 177.701 -118.343 135.178 6.80909 -50.1105 -46.9514 157.472 -15.7709 213.815 PRESSAVG: 917400 13.7561 -48.9451 -31.3612 -48.9451 13.3331 29.1171 -31.3613 29.1172 -35.357 GPRESSAVG: 917400 12.5917 -48.04 -34.0988 -49.2829 13.7943 29.0804 -29.8115 27.7374 -35.2126 TIMING: 917400 CPU: 2664.43, 0.00290627/step Wall: 2664.43, 0.00290627/step, 3.29587 hours remaining, 203.664062 MB of memory in use. ENERGY: 917400 745.1951 2111.4631 1925.5004 115.7666 -206256.6252 18037.3591 0.0000 0.0000 34375.5699 -148945.7710 300.2104 -183321.3409 -148860.2191 299.2950 79.2200 113.8017 559205.5270 -2.7559 -2.9422 PRESSURE: 917600 -90.6109 -27.9676 -133.913 -27.9677 -335.519 89.2538 -133.912 89.2545 146.283 GPRESSURE: 917600 -24.2879 -49.2206 -156.751 12.3531 -344.404 5.15685 -87.2141 120.648 182.919 PRESSAVG: 917600 46.9204 -38.1581 4.28808 -38.1581 -66.2992 26.1849 4.28815 26.1849 29.3534 GPRESSAVG: 917600 47.4551 -39.657 7.03393 -37.9737 -66.1672 24.3984 3.04186 27.1106 28.9888 TIMING: 917600 CPU: 2665.01, 0.0029018/step Wall: 2665.01, 0.0029018/step, 3.29065 hours remaining, 203.664062 MB of memory in use. ENERGY: 917600 728.8602 2095.8438 1955.3360 117.8390 -205722.2048 17426.1282 0.0000 0.0000 34432.5891 -148965.6085 300.7084 -183398.1977 -148862.8201 299.7596 -93.2824 -61.9245 558677.6436 3.3249 3.4256 PRESSURE: 917800 273.702 95.9483 -102.6 95.9488 78.5984 -17.0858 -102.599 -17.0876 107.708 GPRESSURE: 917800 302.145 166.142 -119.207 181.259 162.987 -62.8304 -17.5713 -26.6705 99.1355 PRESSAVG: 917800 -3.19748 0.379457 -47.5273 0.379482 -57.8931 -29.1112 -47.5272 -29.1111 43.3083 GPRESSAVG: 917800 -2.90721 1.65479 -45.9807 1.47785 -57.0187 -28.7252 -49.9453 -29.2826 42.5724 TIMING: 917800 CPU: 2665.59, 0.00290109/step Wall: 2665.59, 0.00290109/step, 3.28968 hours remaining, 203.664062 MB of memory in use. ENERGY: 917800 755.4865 2099.9292 1940.1898 100.6794 -206248.2510 18047.9740 0.0000 0.0000 34471.6279 -148832.3642 301.0493 -183303.9921 -148735.3731 300.4329 153.3363 188.0892 558263.2876 -5.9274 -5.7845 PRESSURE: 918000 -133.432 -99.3377 -57.8429 -99.3359 207.576 85.098 -57.8423 85.0979 -36.443 GPRESSURE: 918000 -34.8263 -224.48 -85.2108 31.7733 234.317 93.0827 -81.8084 132.556 -57.5014 PRESSAVG: 918000 -62.7828 -0.337789 -34.5084 -0.337765 46.3151 29.3869 -34.5084 29.3868 -6.97567 GPRESSAVG: 918000 -62.2359 0.273948 -35.4886 -0.982986 44.7982 30.149 -33.309 28.8976 -6.44494 TIMING: 918000 CPU: 2666.17, 0.00290038/step Wall: 2666.17, 0.00290038/step, 3.28871 hours remaining, 203.664062 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: 918000 786.5950 2089.4532 1960.2555 116.8439 -206167.8473 18012.5572 0.0000 0.0000 34356.1128 -148846.0296 300.0405 -183202.1424 -148751.9479 300.6737 12.5669 47.3298 558300.6862 -7.8144 -7.9609 PRESSURE: 918200 -128.669 4.03148 2.48544 4.03087 84.5965 -101.959 2.48544 -101.958 -3.06307 GPRESSURE: 918200 -71.7672 11.111 -32.3679 -88.5309 92.2878 -88.4146 56.1253 -174.693 24.6903 PRESSAVG: 918200 0.276264 -22.2483 2.81868 -22.2484 24.9933 15.1274 2.81862 15.1273 -11.8399 GPRESSAVG: 918200 1.10006 -22.4074 2.03894 -24.3466 24.8851 14.5053 3.94848 15.2983 -12.9778 TIMING: 918200 CPU: 2666.75, 0.00288622/step Wall: 2666.75, 0.00288622/step, 3.27249 hours remaining, 203.664062 MB of memory in use. ENERGY: 918200 749.9594 2116.6891 1983.8279 123.9198 -205851.6279 17694.8320 0.0000 0.0000 34463.6018 -148718.7979 300.9792 -183182.3997 -148612.5779 300.6356 -15.7119 15.0703 557789.4848 4.4766 4.3358 PRESSURE: 918400 -105.042 8.58088 74.9363 8.58045 -57.0208 -185.305 74.9359 -185.306 -104.603 GPRESSURE: 918400 -59.5153 -30.8932 85.6086 70.0783 -27.2163 -160.88 54.2505 -127.882 -81.4026 PRESSAVG: 918400 -28.3279 92.8828 -10.9323 92.8827 8.89851 -2.50016 -10.9323 -2.50028 40.1034 GPRESSAVG: 918400 -29.2428 92.3053 -10.6476 93.4737 10.1139 -3.89529 -11.1066 -0.521631 39.6526 TIMING: 918400 CPU: 2667.33, 0.00289452/step Wall: 2667.33, 0.00289452/step, 3.28174 hours remaining, 203.664062 MB of memory in use. ENERGY: 918400 739.3817 2133.6271 1990.7538 119.1904 -205570.0220 17552.6841 0.0000 0.0000 34545.7857 -148488.5992 301.6969 -183034.3849 -148394.5840 301.0489 -88.8883 -56.0447 559125.2348 6.8913 6.8412 PRESSURE: 918600 322.76 -185.971 124.157 -185.972 -44.4151 -28.3575 124.157 -28.3589 -207.203 GPRESSURE: 918600 299.286 -156.281 151.674 -153.566 55.7665 -30.7691 43.6083 -42.1659 -199.172 PRESSAVG: 918600 24.6681 -5.29699 -26.5511 -5.29699 37.2143 -27.4063 -26.5511 -27.4064 -58.2926 GPRESSAVG: 918600 24.1504 -4.70387 -27.9885 -4.79357 37.2444 -25.2241 -27.1838 -30.8106 -57.8719 TIMING: 918600 CPU: 2667.91, 0.00290129/step Wall: 2667.91, 0.00290129/step, 3.28926 hours remaining, 203.664062 MB of memory in use. ENERGY: 918600 772.4299 2139.9165 1960.9443 113.8555 -205960.5487 17842.6676 0.0000 0.0000 34516.8707 -148613.8643 301.4444 -183130.7349 -148516.9019 301.8839 23.7138 51.9601 557374.5525 1.1966 1.1743 PRESSURE: 918800 -138.786 16.8541 -40.2291 16.8548 83.5113 -30.441 -40.2295 -30.4394 -127.913 GPRESSURE: 918800 -97.9342 -17.857 -189.777 18.4786 139.661 73.1078 83.2188 -74.2853 -126.099 PRESSAVG: 918800 84.6877 -1.74613 14.798 -1.74623 6.02725 -16.4587 14.7979 -16.4588 -65.7985 GPRESSAVG: 918800 84.9718 -1.97184 16.9727 -3.61933 5.68956 -18.7322 13.7946 -14.2168 -64.9956 TIMING: 918800 CPU: 2668.49, 0.00291086/step Wall: 2668.49, 0.00291086/step, 3.29994 hours remaining, 203.664062 MB of memory in use. ENERGY: 918800 813.9275 2185.3071 1970.2181 99.4047 -205875.3010 17803.8975 0.0000 0.0000 34273.5553 -148728.9907 299.3195 -183002.5460 -148634.6203 301.1319 -61.0628 -28.1242 558742.2294 8.3055 8.5553 PRESSURE: 919000 108.527 -167.61 149.232 -167.61 33.2453 -29.5414 149.232 -29.5422 -0.868761 GPRESSURE: 919000 116.875 -177.272 72.6301 -184.473 141.754 -44.1115 118.578 -133.888 -13.3997 PRESSAVG: 919000 19.2824 -114.207 -7.05448 -114.207 27.191 -49.2697 -7.0544 -49.2696 41.9825 GPRESSAVG: 919000 19.391 -114.056 -8.84384 -113.131 27.435 -47.2477 -5.7743 -50.163 41.335 TIMING: 919000 CPU: 2669.06, 0.00288615/step Wall: 2669.06, 0.00288615/step, 3.27177 hours remaining, 203.664062 MB of memory in use. ENERGY: 919000 798.7321 2125.6736 1992.4132 115.0926 -206254.1671 18008.5482 0.0000 0.0000 34444.2083 -148769.4991 300.8098 -183213.7075 -148676.0784 300.3916 46.9680 81.7430 557729.4766 29.4853 29.3870 PRESSURE: 919200 -179.258 -36.0547 108.883 -36.0546 -9.38493 41.6389 108.882 41.6374 32.1426 GPRESSURE: 919200 -114.652 2.47696 100.252 -35.3711 27.3683 86.0917 59.9975 -68.7489 30.7797 PRESSAVG: 919200 -11.6817 -42.4863 28.4065 -42.4863 -2.76442 -43.0231 28.4064 -43.0232 1.93671 GPRESSAVG: 919200 -10.5949 -42.8653 28.167 -41.8954 -4.68149 -42.8732 28.9759 -42.5538 2.00661 TIMING: 919200 CPU: 2669.65, 0.00290405/step Wall: 2669.65, 0.00290405/step, 3.2919 hours remaining, 203.664062 MB of memory in use. ENERGY: 919200 751.6916 2123.5890 2003.0856 117.9976 -206021.7539 17830.6939 0.0000 0.0000 34251.5722 -148943.1238 299.1275 -183194.6960 -148848.3205 300.3531 -52.1667 -18.8347 557862.5789 -4.1698 -4.4233 PRESSURE: 919400 26.6129 64.5171 -27.5142 64.516 47.5216 -76.5187 -27.5144 -76.5198 -23.1107 GPRESSURE: 919400 46.2568 63.8189 -4.75647 -1.19306 90.8442 -49.9259 -99.5632 -87.4819 4.04297 PRESSAVG: 919400 -31.7611 -19.9987 -14.8439 -19.9987 43.5888 -38.9377 -14.8439 -38.9378 25.5466 GPRESSAVG: 919400 -33.1219 -17.2603 -14.1173 -21.4711 44.9576 -40.8172 -14.7461 -39.3831 25.6055 TIMING: 919400 CPU: 2670.23, 0.00290367/step Wall: 2670.23, 0.00290367/step, 3.29131 hours remaining, 203.664062 MB of memory in use. ENERGY: 919400 746.4650 2152.9041 1976.6542 110.1161 -205949.6759 17760.2688 0.0000 0.0000 34076.9507 -149126.3170 297.6025 -183203.2677 -149032.5839 299.4799 17.0079 47.0480 557128.8645 12.4581 12.4804 PRESSURE: 919600 -206.711 107.072 -129.976 107.071 -85.3993 -154.4 -129.976 -154.4 -38.7901 GPRESSURE: 919600 -209.578 108.6 -133.531 49.291 -52.7664 -222.715 -71.2027 -119.701 31.8007 PRESSAVG: 919600 -11.0438 -2.93966 -17.6075 -2.93967 -46.7867 -48.4511 -17.6074 -48.4511 31.4569 GPRESSAVG: 919600 -12.4108 -4.38563 -18.5752 -2.8075 -46.2579 -46.4303 -17.4114 -49.4194 32.9424 TIMING: 919600 CPU: 2670.8, 0.00289024/step Wall: 2670.8, 0.00289024/step, 3.27593 hours remaining, 203.664062 MB of memory in use. ENERGY: 919600 761.2742 2107.3864 2013.5937 119.7651 -205978.0628 17659.6446 0.0000 0.0000 34385.1852 -148931.2137 300.2944 -183316.3988 -148826.1059 299.2047 -110.3003 -76.8478 558887.9242 -8.7912 -8.5754 PRESSURE: 919800 -109.372 -113.248 -11.9005 -113.249 -102.207 114.391 -11.9001 114.391 -16.2089 GPRESSURE: 919800 8.83413 -131.104 -33.3244 -71.7713 -49.8943 122.904 6.88148 136.453 -81.5347 PRESSAVG: 919800 -30.2233 20.815 -11.5194 20.8149 24.6836 -39.3841 -11.5194 -39.384 -51.2516 GPRESSAVG: 919800 -27.7095 19.8365 -15.017 22.9203 24.7367 -40.2604 -10.6328 -37.789 -53.9778 TIMING: 919800 CPU: 2671.38, 0.0028872/step Wall: 2671.38, 0.00288721/step, 3.27233 hours remaining, 203.664062 MB of memory in use. ENERGY: 919800 732.9333 2151.5448 1988.7129 125.7817 -206372.0009 17910.6162 0.0000 0.0000 34357.6001 -149104.8119 300.0535 -183462.4120 -149002.8148 299.9776 -75.9294 -40.8650 559333.5020 -18.9304 -18.9835 PRESSURE: 920000 -246.393 -73.9271 4.63621 -73.9276 -163.814 51.0174 4.63541 51.0174 -134.085 GPRESSURE: 920000 -259.141 64.6869 -10.8866 12.817 -161.352 91.4768 15.2379 -56.9319 -20.9171 PRESSAVG: 920000 -5.32591 -31.5147 -1.50238 -31.5148 90.467 28.4465 -1.50232 28.4466 -35.2394 GPRESSAVG: 920000 -6.65515 -30.6722 0.242243 -32.1014 89.9983 27.4765 -1.53995 27.9517 -33.367 TIMING: 920000 CPU: 2671.96, 0.00288586/step Wall: 2671.96, 0.00288586/step, 3.27064 hours remaining, 203.664062 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: 920000 786.1499 2058.4626 1981.3941 135.5975 -206000.9327 17689.2951 0.0000 0.0000 33974.3177 -149375.7158 296.7062 -183350.0335 -149277.8360 299.2132 -181.4307 -147.1368 557421.9758 16.6339 16.6587 PRESSURE: 920200 -158.772 -17.3734 -129.057 -17.373 -180.103 -60.8182 -129.057 -60.8185 -41.4732 GPRESSURE: 920200 -115.676 -62.5298 -124.305 16.6323 -156.355 -79.9082 -138.615 25.7119 -8.8378 PRESSAVG: 920200 33.2763 -12.8665 14.4913 -12.8665 22.1847 -27.4913 14.4912 -27.4913 -27.1888 GPRESSAVG: 920200 34.1793 -12.8364 15.2718 -11.8761 21.8352 -27.3118 14.1127 -29.0356 -27.7311 TIMING: 920200 CPU: 2672.53, 0.00287703/step Wall: 2672.53, 0.00287703/step, 3.26048 hours remaining, 203.664062 MB of memory in use. ENERGY: 920200 737.8866 2135.4054 1974.5214 121.7549 -206210.6600 17764.6570 0.0000 0.0000 34073.7928 -149402.6420 297.5749 -183476.4348 -149308.3503 298.0809 -126.7826 -93.6230 557739.3931 9.4241 9.4278 LDB: ============= START OF LOAD BALANCING ============== 2676 LDB: ============== END OF LOAD BALANCING =============== 2676 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2676 LDB: ============= START OF LOAD BALANCING ============== 2676.29 LDB: Largest compute 4820 load 0.027159 is 23.1% of average load 0.117640 LDB: Average compute 0.001738 is 1.5% of average load 0.117640 LDB: TIME 2676.29 LOAD: AVG 0.11764 MAX 0.177241 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.598 MB LDB: TIME 2676.29 LOAD: AVG 0.11764 MAX 0.177241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.602 MB LDB: TIME 2676.29 LOAD: AVG 0.11764 MAX 0.177241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2676.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2676.3 PRESSURE: 920400 112.765 -42.6163 -185.755 -42.6172 122.721 -39.8082 -185.756 -39.8071 -79.5786 GPRESSURE: 920400 119.153 -24.266 -212.302 17.5407 143.46 -22.8543 -79.8659 73.3099 -16.3153 PRESSAVG: 920400 3.34819 -10.0242 -11.759 -10.0243 -25.2071 16.5171 -11.759 16.517 -18.9951 GPRESSAVG: 920400 2.69928 -11.4626 -12.5117 -10.2324 -24.2052 16.4429 -11.4227 17.1087 -18.7354 TIMING: 920400 CPU: 2673.12, 0.00293792/step Wall: 2673.12, 0.00293792/step, 3.32931 hours remaining, 204.765625 MB of memory in use. ENERGY: 920400 729.3105 2079.5154 1969.0919 119.1693 -206337.9120 17905.8519 0.0000 0.0000 34037.0071 -149497.9658 297.2536 -183534.9729 -149396.7196 298.4909 51.9691 82.0993 557281.3475 -13.6180 -13.4137 PRESSURE: 920600 -99.8499 106.622 -64.8348 106.622 -28.1778 -132.147 -64.8363 -132.147 -65.7298 GPRESSURE: 920600 -51.2097 132.914 -66.7863 95.9684 -6.45099 -140.412 -9.65912 -149.905 -33.2749 PRESSAVG: 920600 -13.5927 16.7127 1.95482 16.7127 49.6246 -34.4808 1.95476 -34.4807 -20.6318 GPRESSAVG: 920600 -13.6004 18.5362 2.14819 14.9739 50.2324 -34.9951 1.93182 -36.0523 -20.6809 TIMING: 920600 CPU: 2673.7, 0.0028879/step Wall: 2673.7, 0.0028879/step, 3.27247 hours remaining, 204.910156 MB of memory in use. ENERGY: 920600 734.9252 2135.7027 1945.8748 114.7981 -206595.8554 17886.5905 0.0000 0.0000 34019.6988 -149758.2654 297.1025 -183777.9641 -149660.5896 297.8449 -64.5858 -30.3119 556986.6816 5.1333 5.3170 PRESSURE: 920800 -54.7429 104.033 178.669 104.033 59.3649 99.5211 178.669 99.5201 13.6566 GPRESSURE: 920800 -57.2129 96.1452 144.825 102.01 123.201 145.614 140.569 65.6311 49.9194 PRESSAVG: 920800 -13.7674 -1.16302 -4.62061 -1.16301 -5.06305 -13.1746 -4.62057 -13.1745 24.4724 GPRESSAVG: 920800 -12.9641 -2.08898 -3.7203 -0.970772 -6.205 -15.231 -6.4608 -11.5165 24.9325 TIMING: 920800 CPU: 2674.28, 0.00289186/step Wall: 2674.28, 0.00289186/step, 3.2768 hours remaining, 204.980469 MB of memory in use. ENERGY: 920800 768.5543 2079.3568 1982.0418 108.3393 -206683.4353 17981.3512 0.0000 0.0000 34014.3966 -149749.3953 297.0562 -183763.7919 -149644.1503 297.3539 6.0929 38.6358 556587.4201 1.8807 1.9212 PRESSURE: 921000 -124.708 -253.581 -154.733 -253.582 -159.002 20.7791 -154.731 20.7782 -83.278 GPRESSURE: 921000 -98.2961 -248.551 -198.542 -231.111 -94.4317 33.9682 -83.4949 19.2503 -71.7256 PRESSAVG: 921000 31.5619 37.5935 -30.1823 37.5936 -60.3917 15.273 -30.1823 15.2729 66.9653 GPRESSAVG: 921000 31.3058 37.3122 -30.1305 37.6138 -60.403 18.8648 -28.6603 13.169 67.6069 TIMING: 921000 CPU: 2674.86, 0.00290528/step Wall: 2674.86, 0.00290528/step, 3.29184 hours remaining, 205.050781 MB of memory in use. ENERGY: 921000 788.8405 2051.2992 1932.1508 109.8004 -206710.4588 18007.4826 0.0000 0.0000 34246.4145 -149574.4708 299.0825 -183820.8853 -149481.7979 298.0980 -122.3294 -88.1511 558578.2260 12.7119 12.8366 PRESSURE: 921200 121.481 -61.5495 70.5173 -61.549 129.12 33.8181 70.5178 33.8185 250.413 GPRESSURE: 921200 141.658 -100.636 209.945 8.10333 187.04 140.966 25.6888 -27.3233 271.462 PRESSAVG: 921200 -63.8416 -39.8715 -1.84388 -39.8715 45.8489 23.8988 -1.84388 23.8987 26.2277 GPRESSAVG: 921200 -63.646 -38.7666 -3.79523 -37.3799 46.2386 21.552 -1.32475 26.2312 25.7733 TIMING: 921200 CPU: 2675.44, 0.00289567/step Wall: 2675.44, 0.00289567/step, 3.2808 hours remaining, 205.050781 MB of memory in use. ENERGY: 921200 735.2502 2096.4667 1968.9796 109.7723 -206992.9714 18317.1008 0.0000 0.0000 34108.4312 -149656.9706 297.8774 -183765.4018 -149564.0111 298.1719 167.0045 200.0534 558210.7441 2.7450 2.7886 PRESSURE: 921400 -15.1237 -68.7464 64.5085 -68.7459 25.718 -63.3756 64.509 -63.3752 -39.7933 GPRESSURE: 921400 26.2365 -17.4117 178.018 -15.8964 42.4217 -160.733 5.11376 8.54673 -0.386383 PRESSAVG: 921400 -76.9365 -14.5904 43.6219 -14.5904 70.168 -19.5115 43.6218 -19.5114 11.8298 GPRESSAVG: 921400 -77.4017 -14.7844 45.2248 -16.5214 69.8352 -17.0429 43.1617 -21.1123 12.7726 TIMING: 921400 CPU: 2676.02, 0.00290918/step Wall: 2676.02, 0.00290918/step, 3.29594 hours remaining, 205.050781 MB of memory in use. ENERGY: 921400 750.9050 2138.0836 1923.4259 108.0187 -206541.5667 17815.2886 0.0000 0.0000 34265.2054 -149540.6396 299.2466 -183805.8450 -149442.9637 298.3647 -9.7330 22.7573 556576.0216 1.6871 1.7354 PRESSURE: 921600 -142.969 -55.852 97.3706 -55.8531 -421.285 -8.87949 97.3701 -8.87789 -355.778 GPRESSURE: 921600 -67.8218 -60.8898 17.8213 -65.2161 -416.992 62.5748 150.543 -7.22037 -342.972 PRESSAVG: 921600 -44.0236 30.4003 -7.28505 30.4003 14.7617 -3.79316 -7.28514 -3.79317 23.3135 GPRESSAVG: 921600 -43.8719 27.4176 -7.49747 30.0001 15.3636 -5.67077 -7.46322 -2.69935 22.1794 TIMING: 921600 CPU: 2676.6, 0.00288881/step Wall: 2676.6, 0.00288881/step, 3.27271 hours remaining, 205.050781 MB of memory in use. ENERGY: 921600 818.2858 2175.1317 1923.6690 119.4831 -205917.7559 17498.3046 0.0000 0.0000 34092.9179 -149289.9639 297.7419 -183382.8818 -149195.0120 298.8372 -306.6772 -275.9286 557671.8450 -1.9828 -2.1096 PRESSURE: 921800 -127.973 151.064 -67.3915 151.064 231.884 -113.277 -67.3918 -113.276 -311.376 GPRESSURE: 921800 -98.4507 146.165 -112.187 114.407 209.982 -25.4895 -35.2535 -68.189 -209.309 PRESSAVG: 921800 -55.3509 1.31299 26.1354 1.31308 -12.1391 2.24857 26.1353 2.24862 54.5869 GPRESSAVG: 921800 -55.1286 3.5663 25.2299 1.79771 -13.2247 3.14376 26.8982 1.02496 55.708 TIMING: 921800 CPU: 2677.18, 0.00288969/step Wall: 2677.18, 0.00288969/step, 3.27354 hours remaining, 205.050781 MB of memory in use. ENERGY: 921800 723.4372 2108.7799 1957.3692 105.1612 -206045.5871 17684.1394 0.0000 0.0000 34274.6393 -149192.0608 299.3290 -183466.7001 -149096.7519 299.2142 -69.1549 -32.5925 558356.5676 -4.3010 -4.2151 PRESSURE: 922000 -194.646 -103.532 79.0369 -103.531 -137.353 -71.578 79.0366 -71.5792 -82.2448 GPRESSURE: 922000 -156.468 -85.981 103.111 -182.348 -113.161 -39.0385 80.6986 -72.9405 -57.7106 PRESSAVG: 922000 10.6629 -35.7656 -8.77991 -35.7657 12.0515 -23.7712 -8.77985 -23.7713 -54.8155 GPRESSAVG: 922000 10.7528 -39.8866 -8.15136 -33.3518 11.7822 -24.3162 -9.74784 -23.2465 -54.7985 TIMING: 922000 CPU: 2677.76, 0.00290088/step Wall: 2677.76, 0.00290088/step, 3.28605 hours remaining, 205.050781 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: 922000 785.8520 2186.8820 1933.0098 123.0464 -206034.6589 17602.9263 0.0000 0.0000 34236.9502 -149165.9921 298.9998 -183402.9424 -149069.7247 299.1724 -138.0816 -109.1134 558109.0360 -10.7004 -10.7545 PRESSURE: 922200 -85.2693 -73.9571 162.076 -73.9567 -276.74 88.283 162.075 88.2812 -124.847 GPRESSURE: 922200 -71.1897 -65.7849 194.466 -7.57307 -223.855 82.5536 157.274 89.6401 -86.6056 PRESSAVG: 922200 30.514 -27.4354 -2.10938 -27.4354 -27.0076 16.7683 -2.10936 16.7683 -15.9919 GPRESSAVG: 922200 30.7525 -26.0433 -2.43165 -28.7234 -26.8321 17.9371 -1.5558 15.7705 -16.6701 TIMING: 922200 CPU: 2678.34, 0.00290067/step Wall: 2678.34, 0.00290067/step, 3.28565 hours remaining, 205.050781 MB of memory in use. ENERGY: 922200 719.8586 2234.2723 1975.3356 106.4634 -206213.4761 17599.2160 0.0000 0.0000 34463.6701 -149114.6601 300.9798 -183578.3302 -149023.1679 300.1733 -162.2852 -127.2168 557349.1876 -4.1618 -4.2499 PRESSURE: 922400 -178.105 -56.9494 25.346 -56.9497 -227.517 68.0086 25.3469 68.0067 -32.6032 GPRESSURE: 922400 -138.195 53.364 37.4301 -127.647 -177.074 23.375 1.842 94.3166 -31.7617 PRESSAVG: 922400 -37.8259 -23.6823 25.4162 -23.6822 -26.7652 -27.2719 25.4162 -27.272 74.7325 GPRESSAVG: 922400 -40.1125 -21.108 27.1638 -23.4436 -25.1978 -29.992 25.7709 -27.0007 75.0913 TIMING: 922400 CPU: 2678.91, 0.00287727/step Wall: 2678.91, 0.00287727/step, 3.25898 hours remaining, 205.050781 MB of memory in use. ENERGY: 922400 739.3112 2120.6243 1975.8053 110.3319 -205977.5964 17674.3447 0.0000 0.0000 34216.1254 -149141.0535 298.8179 -183357.1789 -149040.3976 299.9823 -146.0750 -115.6769 558123.5027 3.3804 3.2603 PRESSURE: 922600 -151.278 -217.457 90.3018 -217.458 -269.801 6.55719 90.3004 6.55536 -55.2361 GPRESSURE: 922600 -94.5047 -193.298 26.2304 -166.418 -281.993 -38.0218 68.5766 54.4948 -26.2706 PRESSAVG: 922600 1.19428 14.5544 22.4798 14.5543 -54.3536 22.4418 22.4798 22.4418 49.2917 GPRESSAVG: 922600 2.22209 14.4395 21.7122 12.791 -56.1497 23.1214 21.4517 24.03 49.8973 TIMING: 922600 CPU: 2679.49, 0.00289292/step Wall: 2679.49, 0.00289292/step, 3.27655 hours remaining, 205.050781 MB of memory in use. ENERGY: 922600 751.2617 2159.3678 1970.1447 113.0168 -205900.5566 17543.8977 0.0000 0.0000 34088.0125 -149274.8554 297.6991 -183362.8679 -149182.2250 298.9969 -158.7715 -134.2559 558603.7714 -1.2892 -1.3434 PRESSURE: 922800 -94.4053 61.1911 42.7365 61.1903 -111.417 -95.0628 42.7366 -95.061 -131.326 GPRESSURE: 922800 -30.2551 -129.676 101.61 126.366 -77.3561 -121.183 19.2725 10.8619 -121.398 PRESSAVG: 922800 14.5169 -15.6311 -9.53949 -15.6311 33.987 -21.3157 -9.53951 -21.3158 -84.5545 GPRESSAVG: 922800 14.0607 -15.2093 -10.8661 -16.441 35.2052 -21.6431 -7.38734 -21.6709 -84.3082 TIMING: 922800 CPU: 2680.07, 0.00288003/step Wall: 2680.07, 0.00288003/step, 3.26179 hours remaining, 205.050781 MB of memory in use. ENERGY: 922800 746.3303 2170.5467 1988.3838 122.9709 -205913.4212 17618.4329 0.0000 0.0000 34001.1254 -149265.6312 296.9403 -183266.7566 -149176.0250 298.7281 -112.3828 -76.3364 557100.7485 -12.0169 -11.6808 PRESSURE: 923000 214.114 102.708 -121.84 102.708 158.96 82.0662 -121.842 82.0676 142.982 GPRESSURE: 923000 269.826 164.95 -125.598 50.5217 192.693 96.4755 -66.6461 40.6181 145.795 PRESSAVG: 923000 -15.5489 31.5748 -11.3012 31.5749 58.5348 -22.4635 -11.3012 -22.4636 -42.5524 GPRESSAVG: 923000 -14.6716 29.5969 -11.4285 32.2862 58.5336 -20.1051 -14.2339 -23.2578 -43.154 TIMING: 923000 CPU: 2680.64, 0.00288593/step Wall: 2680.64, 0.00288593/step, 3.26832 hours remaining, 205.050781 MB of memory in use. ENERGY: 923000 717.4365 2143.7659 1945.2094 122.6507 -206340.6131 18029.7992 0.0000 0.0000 34205.6164 -149176.1351 298.7262 -183381.7515 -149074.5642 299.6488 172.0184 202.7713 557699.2597 0.1445 0.2360 PRESSURE: 923200 -208.549 91.7898 232.823 91.7907 35.1655 103.877 232.822 103.876 -42.931 GPRESSURE: 923200 -190.083 63.9596 252.97 61.9764 40.374 103.432 222.198 154.155 18.5855 PRESSAVG: 923200 15.6317 1.49636 42.5822 1.49643 18.7705 44.763 42.5821 44.763 -26.2987 GPRESSAVG: 923200 15.1066 1.21962 44.2756 2.19127 19.3954 44.3411 41.8917 45.5334 -26.7659 TIMING: 923200 CPU: 2681.22, 0.00287332/step Wall: 2681.22, 0.00287332/step, 3.25388 hours remaining, 205.050781 MB of memory in use. ENERGY: 923200 776.4992 2167.9660 1988.9218 111.2294 -206487.1004 17901.7451 0.0000 0.0000 34382.0114 -149158.7275 300.2667 -183540.7389 -149062.1590 299.2907 -72.1050 -43.7077 557912.3044 2.7012 2.5787 PRESSURE: 923400 188.301 -39.7625 -8.12162 -39.7628 -236.664 -86.885 -8.12184 -86.8844 198.249 GPRESSURE: 923400 200.968 11.2023 52.6429 2.42527 -208.673 -76.2934 -48.0286 -41.34 255.843 PRESSAVG: 923400 37.4408 11.5204 39.5717 11.5204 49.0258 5.23413 39.5718 5.23414 -25.9446 GPRESSAVG: 923400 36.8782 11.8735 40.0728 10.1915 49.553 3.16565 40.41 4.80147 -25.6923 TIMING: 923400 CPU: 2681.79, 0.00286891/step Wall: 2681.79, 0.00286891/step, 3.24872 hours remaining, 205.050781 MB of memory in use. ENERGY: 923400 725.5539 2186.3650 2000.1416 125.1218 -206628.4926 17946.2753 0.0000 0.0000 34319.9547 -149325.0804 299.7247 -183645.0351 -149230.5181 299.4250 49.9620 82.7129 557525.9428 20.1740 20.2463 PRESSURE: 923600 -37.2732 -143.485 -24.1049 -143.486 -107.506 -88.3486 -24.1035 -88.3491 166.692 GPRESSURE: 923600 -35.5551 -113.994 -12.8546 -197.385 -63.324 -24.6557 -76.4927 -5.53929 210.946 PRESSAVG: 923600 8.22844 -11.4158 10.4538 -11.4158 -96.4636 11.818 10.4538 11.8179 70.1551 GPRESSAVG: 923600 8.25707 -9.59432 8.62999 -11.6882 -96.3669 12.4683 12.4138 13.0975 69.6452 TIMING: 923600 CPU: 2682.37, 0.00288769/step Wall: 2682.37, 0.00288769/step, 3.26983 hours remaining, 205.050781 MB of memory in use. ENERGY: 923600 778.6844 2161.0913 1948.2522 128.0426 -206306.2612 17787.7405 0.0000 0.0000 34190.3013 -149312.1489 298.5924 -183502.4502 -149215.2650 298.8674 7.3043 37.3557 557671.9449 -6.0267 -6.1549 PRESSURE: 923800 83.404 -98.4106 6.38015 -98.4112 90.0301 71.5174 6.3806 71.518 96.5906 GPRESSURE: 923800 115.153 -73.7751 -1.9345 -166.517 127.605 25.9086 81.2523 90.61 125.627 PRESSAVG: 923800 -5.70987 0.481075 2.76087 0.481043 -25.6357 -32.8958 2.76092 -32.8958 45.9885 GPRESSAVG: 923800 -4.9346 -1.5042 3.97837 1.23774 -27.3219 -30.7932 1.43167 -34.9342 46.4637 TIMING: 923800 CPU: 2682.94, 0.00287462/step Wall: 2682.94, 0.00287462/step, 3.25487 hours remaining, 205.050781 MB of memory in use. ENERGY: 923800 767.0645 2129.3943 1954.8354 122.8348 -206715.0258 18063.6810 0.0000 0.0000 34286.5602 -149390.6557 299.4331 -183677.2159 -149296.6368 298.6530 90.0082 122.7949 557833.8178 4.8810 4.7357 PRESSURE: 924000 -116.433 52.7098 211.157 52.7098 -110.033 10.0528 211.156 10.0522 -44.4066 GPRESSURE: 924000 -58.1927 28.0144 227.765 30.6004 -111.226 2.50646 235.789 -4.49723 -6.89993 PRESSAVG: 924000 21.5116 14.706 -40.1666 14.706 -46.5322 16.5292 -40.1666 16.5291 13.2994 GPRESSAVG: 924000 21.3774 16.9051 -38.9174 16.2249 -45.3178 15.3729 -43.6728 16.3792 12.2909 TIMING: 924000 CPU: 2683.52, 0.00288761/step Wall: 2683.52, 0.00288761/step, 3.26941 hours remaining, 205.050781 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: 924000 765.3236 2104.0142 1964.3918 127.2706 -206276.6822 17854.5164 0.0000 0.0000 34089.6433 -149371.5223 297.7133 -183461.1656 -149275.4132 298.9584 -90.2909 -58.7730 559074.0506 -3.9070 -3.8831 PRESSURE: 924200 -226.782 -27.6612 -7.90021 -27.6621 127.102 -17.0415 -7.8998 -17.0429 -124.729 GPRESSURE: 924200 -157.79 -8.0105 -6.85566 6.75501 126.085 -23.4778 0.547111 38.706 -101.332 PRESSAVG: 924200 -48.2947 -11.3068 -0.636921 -11.3069 47.8542 5.99868 -0.636913 5.99873 54.6144 GPRESSAVG: 924200 -47.3907 -11.6194 -1.38654 -11.164 47.5433 5.23271 1.5735 7.23723 54.0598 TIMING: 924200 CPU: 2684.1, 0.0028878/step Wall: 2684.1, 0.0028878/step, 3.26947 hours remaining, 205.050781 MB of memory in use. ENERGY: 924200 741.7280 2139.0366 2018.0655 106.3083 -206310.6413 17836.0354 0.0000 0.0000 34038.6206 -149430.8469 297.2677 -183469.4675 -149332.6417 298.2279 -74.8030 -44.3459 558834.9240 18.0580 18.0708 LDB: ============= START OF LOAD BALANCING ============== 2687.56 LDB: ============== END OF LOAD BALANCING =============== 2687.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2687.57 LDB: ============= START OF LOAD BALANCING ============== 2687.86 LDB: Largest compute 4820 load 0.028581 is 24.3% of average load 0.117661 LDB: Average compute 0.001737 is 1.5% of average load 0.117661 LDB: TIME 2687.86 LOAD: AVG 0.117661 MAX 0.174852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.348 MB LDB: TIME 2687.86 LOAD: AVG 0.117661 MAX 0.174852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: TIME 2687.86 LOAD: AVG 0.117661 MAX 0.174852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: ============== END OF LOAD BALANCING =============== 2687.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2687.87 PRESSURE: 924400 232.299 1.13287 40.3488 1.13371 156.089 -146.876 40.3493 -146.876 93.077 GPRESSURE: 924400 293.068 17.8347 56.3951 -3.18967 189.275 -122.131 -10.2187 -147.454 100.412 PRESSAVG: 924400 27.9352 -15.3791 9.00611 -15.3791 -12.2385 -37.5671 9.00617 -37.5671 -36.3848 GPRESSAVG: 924400 27.4353 -15.3992 8.67219 -17.1706 -12.6288 -36.959 7.70134 -39.1206 -35.0359 TIMING: 924400 CPU: 2684.69, 0.00295383/step Wall: 2684.69, 0.00295383/step, 3.34406 hours remaining, 204.675781 MB of memory in use. ENERGY: 924400 751.9369 2109.4738 1984.9509 109.9192 -206334.8337 17881.9421 0.0000 0.0000 34173.8566 -149322.7542 298.4488 -183496.6108 -149232.2093 297.6919 160.4883 194.2515 557714.1434 -6.8960 -6.7432 PRESSURE: 924600 101.828 70.8789 -307.666 70.8788 12.118 19.1941 -307.666 19.1943 -25.472 GPRESSURE: 924600 131.917 48.1646 -259.576 62.9093 29.5457 11.1564 -326.574 53.7851 17.5448 PRESSAVG: 924600 -5.41556 -46.1617 -43.8316 -46.1618 18.8835 -50.6052 -43.8316 -50.6052 -43.82 GPRESSAVG: 924600 -5.4785 -47.7962 -43.8122 -45.7713 18.4102 -51.2749 -43.3797 -49.0917 -43.0756 TIMING: 924600 CPU: 2685.27, 0.00288886/step Wall: 2685.27, 0.00288886/step, 3.27035 hours remaining, 204.878906 MB of memory in use. ENERGY: 924600 702.2292 2124.1287 1934.2345 108.7264 -206343.8435 17870.8264 0.0000 0.0000 34122.7706 -149480.9278 298.0026 -183603.6984 -149391.1746 298.3860 29.4913 59.6692 557591.6150 -10.1174 -10.0480 PRESSURE: 924800 73.0861 -32.4139 -207.071 -32.4138 -85.0378 1.94993 -207.071 1.94991 221.443 GPRESSURE: 924800 141.843 40.5543 -133.563 -64.6597 -56.5714 49.3521 -204.016 -88.7251 218.127 PRESSAVG: 924800 40.5335 16.6809 -20.011 16.6809 9.84923 -4.01927 -20.011 -4.01923 -58.2268 GPRESSAVG: 924800 41.132 16.7815 -18.4208 15.3955 10.5889 -3.41235 -19.2874 -5.30632 -59.7833 TIMING: 924800 CPU: 2685.84, 0.00287104/step Wall: 2685.84, 0.00287104/step, 3.25001 hours remaining, 205.046875 MB of memory in use. ENERGY: 924800 738.5128 2055.2723 1986.3321 122.2288 -206552.3532 17898.3851 0.0000 0.0000 34245.4625 -149506.1596 299.0741 -183751.6221 -149402.0937 298.9685 69.8304 101.1330 556824.4497 -2.6147 -2.6875 PRESSURE: 925000 107.387 -50.6088 -327.277 -50.6107 38.9803 -7.06711 -327.277 -7.06781 -268.364 GPRESSURE: 925000 121.904 11.611 -259.7 -28.52 116.639 -38.498 -295.457 76.2915 -254.892 PRESSAVG: 925000 24.4147 -4.1517 -44.5238 -4.15173 -9.31892 -8.57878 -44.5238 -8.57883 1.56587 GPRESSAVG: 925000 23.7026 -3.92166 -46.9962 -3.46709 -9.39156 -10.3606 -44.7073 -7.67289 2.11007 TIMING: 925000 CPU: 2686.42, 0.00290265/step Wall: 2686.42, 0.00290265/step, 3.28564 hours remaining, 205.167969 MB of memory in use. ENERGY: 925000 775.7730 2087.5494 1967.3341 92.1139 -206418.1168 17907.3464 0.0000 0.0000 34283.4586 -149304.5414 299.4060 -183588.0000 -149214.4842 298.7747 -40.6655 -5.4497 558711.1373 5.5539 5.4737 PRESSURE: 925200 117.565 -79.9862 24.6609 -79.9862 172.096 115.298 24.6611 115.297 30.3379 GPRESSURE: 925200 152.148 -40.767 -7.59391 -117.273 186.045 216.727 0.581278 101.178 69.6993 PRESSAVG: 925200 15.4063 -45.8752 -53.9019 -45.8752 14.5545 -3.4877 -53.902 -3.4877 -33.0329 GPRESSAVG: 925200 14.7327 -47.0524 -54.3771 -45.4995 14.9496 -1.67895 -52.6852 -4.19485 -33.0698 TIMING: 925200 CPU: 2687, 0.00287693/step Wall: 2687, 0.00287693/step, 3.25637 hours remaining, 205.167969 MB of memory in use. ENERGY: 925200 697.1699 2127.1699 1941.1727 119.3239 -206816.3251 18074.5736 0.0000 0.0000 34444.2660 -149412.6490 300.8103 -183856.9151 -149320.0501 298.9078 106.6662 135.9642 557807.6756 -1.0240 -1.1291 PRESSURE: 925400 -163.023 -39.4216 -31.943 -39.4216 -321.943 -137.815 -31.9427 -137.814 -84.7654 GPRESSURE: 925400 -75.9726 -122.89 27.6136 -39.8394 -295.415 -61.7585 -69.8462 -185.184 -101.706 PRESSAVG: 925400 30.3444 -16.0915 -6.40446 -16.0915 -51.5052 49.4254 -6.40438 49.4255 20.4346 GPRESSAVG: 925400 31.6695 -14.4605 -3.94765 -17.6383 -52.3742 49.8659 -8.36303 49.8035 19.797 TIMING: 925400 CPU: 2687.58, 0.0028962/step Wall: 2687.58, 0.0028962/step, 3.27802 hours remaining, 205.167969 MB of memory in use. ENERGY: 925400 717.8833 2170.9048 1971.6733 102.4152 -206132.4854 17533.0988 0.0000 0.0000 34174.3912 -149462.1189 298.4535 -183636.5101 -149364.2380 298.7125 -189.9104 -157.6978 556945.1827 -0.2421 -0.3026 PRESSURE: 925600 -177.73 113.161 -87.2312 113.162 -16.8971 -20.2668 -87.2316 -20.2663 -127.77 GPRESSURE: 925600 -159.225 107.958 -28.8831 148.822 104.125 -35.2241 -75.3716 -28.9893 -167.105 PRESSAVG: 925600 34.754 -17.0485 21.6981 -17.0485 17.5666 -27.4264 21.6981 -27.4264 -13.1656 GPRESSAVG: 925600 34.5669 -17.7771 20.7085 -16.925 17.5688 -27.3579 22.5216 -28.3351 -13.3507 TIMING: 925600 CPU: 2688.16, 0.00289891/step Wall: 2688.16, 0.00289891/step, 3.28092 hours remaining, 205.167969 MB of memory in use. ENERGY: 925600 710.4934 2139.6470 1967.2043 115.0047 -206580.1178 17712.9889 0.0000 0.0000 34380.7980 -149553.9814 300.2561 -183934.7795 -149451.4398 298.5729 -107.4657 -74.0686 556728.1394 13.0517 12.9283 PRESSURE: 925800 197.278 110.06 -75.3915 110.058 51.3755 -52.4116 -75.3917 -52.4114 -3.97152 GPRESSURE: 925800 202.681 136.447 -124.202 79.0036 103.749 -52.7681 -80.5917 -19.5742 33.7835 PRESSAVG: 925800 88.0895 1.15779 8.06058 1.15767 -28.5577 24.4011 8.06065 24.4012 -49.2468 GPRESSAVG: 925800 87.0516 3.73739 9.03678 -0.175356 -29.4031 22.808 7.70206 27.0764 -47.5815 TIMING: 925800 CPU: 2688.73, 0.00288556/step Wall: 2688.73, 0.00288556/step, 3.26565 hours remaining, 205.167969 MB of memory in use. ENERGY: 925800 758.7094 2077.7226 1965.8508 124.2635 -206491.2411 17880.1036 0.0000 0.0000 34188.8191 -149495.7721 298.5795 -183684.5912 -149405.3370 298.2166 81.5607 113.4045 555176.9332 3.4283 3.3557 PRESSURE: 926000 -10.2192 25.2041 -207.777 25.2045 -186.118 75.367 -207.777 75.3691 -32.7326 GPRESSURE: 926000 71.7376 -0.0764658 -235.194 14.9114 -229.747 27.0351 -189.592 174.714 14.2175 PRESSAVG: 926000 65.0954 17.6752 -21.6189 17.6751 -22.2298 26.6735 -21.619 26.6735 -18.665 GPRESSAVG: 926000 65.4064 16.2873 -23.8883 18.8035 -21.7777 27.0232 -20.3253 26.425 -19.2214 TIMING: 926000 CPU: 2689.31, 0.0028906/step Wall: 2689.31, 0.0028906/step, 3.2712 hours remaining, 205.167969 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: 926000 746.0251 2119.0052 1965.2547 101.4740 -206302.3433 17689.6074 0.0000 0.0000 34195.8846 -149485.0923 298.6412 -183680.9769 -149388.5545 299.1114 -76.3566 -47.9306 556685.9516 8.0669 8.1358 PRESSURE: 926200 -381.64 -80.9286 245.537 -80.9289 151.105 20.3547 245.537 20.356 -100.576 GPRESSURE: 926200 -373.533 -125.195 236.618 -27.012 209.688 -57.148 209.252 45.5109 -71.5949 PRESSAVG: 926200 31.7081 -59.2563 19.6749 -59.2564 -39.2052 32.8211 19.6749 32.8212 -19.4229 GPRESSAVG: 926200 31.5633 -58.7385 20.5474 -58.7482 -37.8074 33.2048 20.8173 33.2211 -20.3146 TIMING: 926200 CPU: 2689.89, 0.00289074/step Wall: 2689.89, 0.00289074/step, 3.2712 hours remaining, 205.167969 MB of memory in use. ENERGY: 926200 762.9727 2134.7440 2006.0596 108.1021 -206390.2534 17846.7538 0.0000 0.0000 34116.6708 -149414.9502 297.9494 -183531.6211 -149314.1662 298.5162 -110.3704 -78.4801 558413.2380 -8.9733 -8.8529 PRESSURE: 926400 -319.235 -128.772 106.477 -128.77 -20.8304 -105.418 106.475 -105.419 126.674 GPRESSURE: 926400 -180.215 -89.2397 50.1936 -173.297 -72.9636 -58.9987 95.4885 -131.655 136.164 PRESSAVG: 926400 1.88744 -27.2232 20.6318 -27.2233 37.429 17.3982 20.6319 17.3983 -60.4883 GPRESSAVG: 926400 2.49565 -28.4626 21.3562 -26.227 36.4445 17.2515 20.0051 17.5902 -60.1855 TIMING: 926400 CPU: 2690.47, 0.00290368/step Wall: 2690.47, 0.00290368/step, 3.28567 hours remaining, 205.167969 MB of memory in use. ENERGY: 926400 748.7130 2088.9932 1965.6612 115.2978 -206114.5430 17641.5093 0.0000 0.0000 34125.2265 -149429.1419 298.0241 -183554.3684 -149330.9137 298.9229 -71.1306 -39.0049 557959.5423 -7.0573 -7.0818 PRESSURE: 926600 -114.171 84.1755 105.115 84.1767 -63.1583 126.865 105.115 126.866 -103.324 GPRESSURE: 926600 -146.449 95.5262 113.685 90.3232 5.85194 69.5407 34.9868 78.9243 -45.4451 PRESSAVG: 926600 6.89007 -6.68158 3.9191 -6.68161 17.5112 1.28538 3.91913 1.28544 28.5932 GPRESSAVG: 926600 7.49202 -6.28072 5.3849 -7.30014 16.5699 2.14632 3.9538 -0.82916 29.4193 TIMING: 926600 CPU: 2691.05, 0.00290327/step Wall: 2691.05, 0.00290327/step, 3.28505 hours remaining, 205.167969 MB of memory in use. ENERGY: 926600 727.4569 2105.0722 1976.8473 109.0788 -206098.1449 17623.0111 0.0000 0.0000 34045.0800 -149511.5985 297.3242 -183556.6785 -149421.6751 298.2824 -93.5510 -62.0140 556408.5286 17.6648 17.8271 PRESSURE: 926800 -101.582 -3.5363 27.1617 -3.53576 33.5063 -33.9328 27.1618 -33.9341 233.8 GPRESSURE: 926800 -77.3913 -50.6173 -6.69988 -4.22932 34.9921 34.117 115.926 -40.8756 300.425 PRESSAVG: 926800 50.9525 6.70984 78.0622 6.70984 -70.0236 -25.9245 78.0623 -25.9245 12.6138 GPRESSAVG: 926800 51.445 5.86929 76.2456 6.38193 -69.9228 -26.4916 78.2165 -25.7357 12.157 TIMING: 926800 CPU: 2691.63, 0.00288992/step Wall: 2691.63, 0.00288992/step, 3.26978 hours remaining, 205.167969 MB of memory in use. ENERGY: 926800 721.1306 2065.9892 1976.4350 119.6309 -206488.3552 17643.3050 0.0000 0.0000 34319.6783 -149642.1862 299.7223 -183961.8646 -149550.0817 298.2740 55.2416 86.0086 554180.6443 -2.1524 -2.1069 PRESSURE: 927000 -223.074 6.00451 29.6402 6.00473 -430.234 -45.4171 29.6401 -45.4167 -88.9125 GPRESSURE: 927000 -188.348 41.0504 20.2503 -109.675 -340.113 -41.8782 33.8011 41.1557 -128.103 PRESSAVG: 927000 -10.4004 -32.0933 30.2836 -32.0933 2.2597 4.66263 30.2836 4.66266 37.0929 GPRESSAVG: 927000 -10.6967 -30.5147 28.6678 -31.8674 2.91201 3.44747 30.4042 5.28371 36.7822 TIMING: 927000 CPU: 2692.21, 0.00291787/step Wall: 2692.21, 0.00291787/step, 3.30125 hours remaining, 205.167969 MB of memory in use. ENERGY: 927000 742.1752 2111.4931 1958.1009 126.9465 -206207.8858 17423.4246 0.0000 0.0000 34127.2018 -149718.5436 298.0413 -183845.7455 -149622.9300 298.1094 -247.4067 -218.8548 557152.8362 9.6508 9.6658 PRESSURE: 927200 -157.142 249.762 44.8332 249.761 -105.156 -0.669883 44.8339 -0.668002 -36.3966 GPRESSURE: 927200 -128.104 398.962 76.2353 226.665 -25.3207 53.851 -13.161 42.4297 -54.5239 PRESSAVG: 927200 -29.1606 44.9636 -24.3676 44.9635 -5.70197 -55.6687 -24.3677 -55.6687 31.6034 GPRESSAVG: 927200 -30.0709 43.6677 -22.3782 44.0019 -3.8082 -54.3366 -24.6626 -56.856 30.3268 TIMING: 927200 CPU: 2692.79, 0.002891/step Wall: 2692.79, 0.002891/step, 3.27069 hours remaining, 205.167969 MB of memory in use. ENERGY: 927200 747.0003 2056.2391 1959.2273 109.1621 -206437.4024 17685.1759 0.0000 0.0000 34121.8942 -149758.7034 297.9950 -183880.5976 -149668.4675 297.9201 -99.5647 -69.3160 556897.3745 -1.0864 -1.1841 PRESSURE: 927400 151.171 17.2892 -9.76471 17.2878 80.0475 35.9337 -9.76582 35.9322 -111.413 GPRESSURE: 927400 124.172 -7.90211 -12.0572 52.7271 98.4633 50.1441 -25.3899 6.60896 -1.32386 PRESSAVG: 927400 46.0111 26.1089 34.9175 26.1089 -13.1974 -18.8452 34.9174 -18.8451 15.5723 GPRESSAVG: 927400 45.2673 25.83 34.1266 25.7594 -14.4291 -20.6248 34.2749 -16.9726 17.345 TIMING: 927400 CPU: 2693.37, 0.00290873/step Wall: 2693.37, 0.00290873/step, 3.29058 hours remaining, 205.167969 MB of memory in use. ENERGY: 927400 706.0945 2036.9348 1936.3157 111.5676 -206608.8378 17862.7698 0.0000 0.0000 34143.7372 -149811.4182 298.1857 -183955.1553 -149719.2604 297.3547 39.9349 73.7706 555412.1407 16.1287 16.0610 PRESSURE: 927600 33.4594 43.144 84.646 43.1449 -29.328 -146.253 84.6471 -146.253 12.3413 GPRESSURE: 927600 72.6022 27.5292 132.207 3.93502 2.44406 -152.398 84.2384 -129.747 35.272 PRESSAVG: 927600 -54.2271 18.2662 21.7749 18.2663 53.3169 -17.9075 21.7749 -17.9074 -26.5179 GPRESSAVG: 927600 -52.7088 17.4745 23.0384 18.8128 53.7067 -17.9145 22.1264 -19.7404 -28.3465 TIMING: 927600 CPU: 2693.95, 0.00289456/step Wall: 2693.95, 0.00289456/step, 3.27439 hours remaining, 205.167969 MB of memory in use. ENERGY: 927600 769.4789 2016.7169 1928.3783 120.8407 -206113.0426 17687.5286 0.0000 0.0000 33870.8830 -149719.2163 295.8028 -183590.0993 -149628.5917 297.8341 5.4909 36.7728 556605.7599 -9.1427 -9.1162 PRESSURE: 927800 -175.176 -71.3826 14.7175 -71.3817 -193.841 15.1742 14.718 15.1728 129.505 GPRESSURE: 927800 -98.0753 -112.896 -0.191026 12.2705 -170.774 -11.9405 -19.8653 41.8027 128.984 PRESSAVG: 927800 60.438 -2.18871 53.2408 -2.18869 25.1079 -19.2029 53.2407 -19.203 -3.02326 GPRESSAVG: 927800 60.1877 -1.82317 52.4955 -1.90022 24.9938 -16.8515 54.696 -18.517 -2.65649 TIMING: 927800 CPU: 2694.53, 0.00289483/step Wall: 2694.53, 0.00289483/step, 3.27454 hours remaining, 205.167969 MB of memory in use. ENERGY: 927800 752.3068 2064.9723 1945.8981 96.4913 -206456.2239 17733.7445 0.0000 0.0000 33994.3633 -149868.4476 296.8812 -183862.8109 -149765.9351 296.7365 -79.8374 -46.6216 556564.4094 27.5075 27.5083 PRESSURE: 928000 38.195 -66.9644 -130.324 -66.9655 -272.097 -48.8312 -130.323 -48.8312 -87.8081 GPRESSURE: 928000 80.8359 -84.6438 -149.875 -65.8077 -228.499 39.5069 -128.441 -119.49 -80.5357 PRESSAVG: 928000 -17.4853 -35.0898 -21.8895 -35.0899 -3.42343 -4.05021 -21.8895 -4.05005 28.6217 GPRESSAVG: 928000 -17.1314 -32.6013 -22.6725 -38.7667 -3.59687 -5.84623 -21.8422 -2.24335 28.8068 TIMING: 928000 CPU: 2695.11, 0.00289081/step Wall: 2695.11, 0.00289081/step, 3.26983 hours remaining, 205.167969 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: 928000 747.2390 2019.8678 1984.3432 114.0033 -206414.0680 17807.5838 0.0000 0.0000 33991.8412 -149749.1897 296.8592 -183741.0309 -149650.0580 297.4874 -107.2366 -76.0662 558584.7054 2.5710 2.6928 PRESSURE: 928200 -20.5292 27.1321 -133.24 27.1318 43.0772 -56.8138 -133.239 -56.8137 -144.266 GPRESSURE: 928200 9.2532 74.6615 -155.691 17.6239 99.1413 -65.5271 -72.504 -15.6252 -141.511 PRESSAVG: 928200 -44.0104 -89.113 14.5936 -89.113 -14.4207 -20.2151 14.5935 -20.2151 59.7775 GPRESSAVG: 928200 -44.0567 -92.5181 14.8295 -85.3633 -14.4196 -18.5227 12.4204 -21.1128 59.9804 TIMING: 928200 CPU: 2695.68, 0.00287807/step Wall: 2695.68, 0.00287807/step, 3.25526 hours remaining, 205.167969 MB of memory in use. ENERGY: 928200 743.5300 2094.2656 1977.5887 98.8940 -206421.2914 17775.7600 0.0000 0.0000 33960.2968 -149770.9564 296.5837 -183731.2531 -149682.0483 297.1939 -40.5728 -11.0388 559123.5704 0.4488 0.5013 LDB: ============= START OF LOAD BALANCING ============== 2699.15 LDB: ============== END OF LOAD BALANCING =============== 2699.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2699.15 LDB: ============= START OF LOAD BALANCING ============== 2699.44 LDB: Largest compute 4820 load 0.026990 is 22.9% of average load 0.117673 LDB: Average compute 0.001735 is 1.5% of average load 0.117673 LDB: TIME 2699.44 LOAD: AVG 0.117673 MAX 0.177831 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.547 MB LDB: TIME 2699.44 LOAD: AVG 0.117673 MAX 0.177831 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.699 MB LDB: TIME 2699.44 LOAD: AVG 0.117673 MAX 0.177831 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.699 MB LDB: ============== END OF LOAD BALANCING =============== 2699.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2699.45 PRESSURE: 928400 41.8531 -38.49 115.606 -38.4893 108.401 -75.3149 115.606 -75.3144 334.046 GPRESSURE: 928400 142.896 5.18482 95.2476 -29.8993 76.8798 -93.3294 115.964 -108.297 359.409 PRESSAVG: 928400 -67.7918 -37.6639 -56.009 -37.6638 76.6515 8.06359 -56.009 8.06353 -6.13228 GPRESSAVG: 928400 -66.7865 -35.0935 -55.2495 -39.9852 76.1588 6.59287 -54.3698 8.50056 -6.285 TIMING: 928400 CPU: 2696.27, 0.00293986/step Wall: 2696.27, 0.00293986/step, 3.32498 hours remaining, 202.964844 MB of memory in use. ENERGY: 928400 769.8268 2050.5149 1996.9826 104.4122 -206744.1652 18133.3485 0.0000 0.0000 33983.1404 -149705.9399 296.7832 -183689.0802 -149615.5488 297.6357 161.4332 193.0616 556806.3161 0.9091 1.0291 PRESSURE: 928600 -121.784 -31.4533 -159.183 -31.4526 -280.807 251.025 -159.184 251.024 34.347 GPRESSURE: 928600 -34.3371 -50.9593 -119.361 -52.9537 -270.494 244.105 -175.448 238.395 42.2921 PRESSAVG: 928600 58.8761 -25.7042 -10.0507 -25.7042 -20.3868 26.2838 -10.0507 26.2836 -3.75699 GPRESSAVG: 928600 58.4076 -24.5402 -10.1269 -23.8566 -20.0146 24.6219 -11.3608 26.2119 -4.04577 TIMING: 928600 CPU: 2696.85, 0.00289228/step Wall: 2696.85, 0.00289228/step, 3.27101 hours remaining, 202.964844 MB of memory in use. ENERGY: 928600 712.6953 2014.5853 1986.3532 109.0660 -206458.0150 17713.2247 0.0000 0.0000 34266.7135 -149655.3770 299.2597 -183922.0904 -149566.0128 298.0837 -122.7478 -87.5130 557357.5632 11.5774 11.4491 PRESSURE: 928800 -237.366 49.3523 -233.246 49.3504 -73.9823 158.035 -233.246 158.034 -20.0868 GPRESSURE: 928800 -144.983 -26.1295 -229.705 68.4458 -6.55227 160.355 -199.068 133.558 -76.5881 PRESSAVG: 928800 -7.32914 -18.1269 -29.3415 -18.1268 -15.1956 -34.7097 -29.3416 -34.7097 9.99035 GPRESSAVG: 928800 -7.99058 -18.7508 -28.9729 -16.7379 -15.3241 -32.0659 -27.7041 -35.892 10.9313 TIMING: 928800 CPU: 2697.43, 0.00288891/step Wall: 2697.43, 0.00288891/step, 3.26704 hours remaining, 202.964844 MB of memory in use. ENERGY: 928800 735.2916 2068.8479 1992.4252 118.1758 -206159.3639 17548.5763 0.0000 0.0000 34008.6732 -149687.3739 297.0062 -183696.0471 -149591.1270 297.0000 -110.4783 -76.0411 556678.4190 -4.1781 -4.1278 PRESSURE: 929000 -102.255 -190.808 2.98416 -190.809 -80.6989 91.4334 2.98502 91.4337 -260.838 GPRESSURE: 929000 -53.078 -113.216 -30.7301 -202.156 -35.0832 85.7114 48.9761 130.46 -252.887 PRESSAVG: 929000 -7.37517 11.6554 3.04893 11.6554 74.3837 19.3747 3.04885 19.3745 -25.9069 GPRESSAVG: 929000 -6.28126 10.4289 2.88639 8.97652 74.0901 19.5179 1.58041 18.2089 -27.1276 TIMING: 929000 CPU: 2698.01, 0.00291878/step Wall: 2698.01, 0.00291878/step, 3.30065 hours remaining, 202.964844 MB of memory in use. ENERGY: 929000 785.9890 2103.7885 1952.3334 121.7246 -206221.3655 17545.2380 0.0000 0.0000 34113.0721 -149599.2199 297.9179 -183712.2920 -149500.8282 298.3791 -147.9305 -113.6827 555589.1482 13.7006 13.5604 PRESSURE: 929200 23.3112 141.602 -72.6817 141.603 -91.0168 -59.635 -72.6819 -59.634 307.367 GPRESSURE: 929200 84.9564 103.109 -62.5648 132.435 -43.473 -121.548 -47.771 -25.2537 297.894 PRESSAVG: 929200 52.3493 28.446 -6.68203 28.4459 17.8978 -16.6287 -6.68209 -16.6286 -71.9471 GPRESSAVG: 929200 51.2025 29.1294 -5.21526 27.7372 17.9508 -16.7323 -4.76653 -13.9847 -70.8923 TIMING: 929200 CPU: 2698.59, 0.0029018/step Wall: 2698.59, 0.0029018/step, 3.28129 hours remaining, 202.964844 MB of memory in use. ENERGY: 929200 742.6469 2085.8685 2000.9339 117.3267 -206518.3125 17975.8659 0.0000 0.0000 34020.2835 -149575.3870 297.1076 -183595.6706 -149482.9994 297.7918 79.8872 113.1258 555998.5619 -0.5667 -0.5797 PRESSURE: 929400 -85.4021 41.0426 -51.5979 41.0429 -123.67 87.8752 -51.5992 87.8749 -358.845 GPRESSURE: 929400 -37.8518 57.6723 -108.304 74.6491 -159.127 122.519 -58.0352 85.9084 -288.6 PRESSAVG: 929400 5.8087 -5.6988 -72.2204 -5.69883 47.5798 2.4271 -72.2203 2.4271 -26.0848 GPRESSAVG: 929400 7.2252 -6.81763 -72.5684 -2.07592 48.1153 2.21942 -74.5936 1.93284 -28.1403 TIMING: 929400 CPU: 2699.17, 0.00290508/step Wall: 2699.17, 0.00290508/step, 3.28483 hours remaining, 202.964844 MB of memory in use. ENERGY: 929400 753.0244 2038.8041 1976.5313 114.0779 -206069.7205 17617.0010 0.0000 0.0000 34112.8327 -149457.4490 297.9159 -183570.2817 -149363.5460 297.2448 -189.3058 -161.8596 557535.3623 9.1012 9.0667 PRESSURE: 929600 -187.804 -128.044 149.347 -128.044 -85.1393 52.1134 149.347 52.1142 -281.497 GPRESSURE: 929600 -146.896 -48.9913 147.03 -172.965 -92.3752 42.1994 123.568 24.4159 -221.878 PRESSAVG: 929600 31.8784 -6.03663 -35.8473 -6.03662 -14.0173 42.7446 -35.8473 42.7444 -0.236304 GPRESSAVG: 929600 31.523 -4.7557 -36.0116 -8.68315 -14.253 42.157 -34.2544 40.8816 0.197418 TIMING: 929600 CPU: 2699.76, 0.00290729/step Wall: 2699.76, 0.00290729/step, 3.28718 hours remaining, 202.964844 MB of memory in use. ENERGY: 929600 713.8606 2106.3345 1958.3686 112.5097 -206122.4855 17433.3255 0.0000 0.0000 34480.5722 -149317.5144 301.1274 -183798.0866 -149218.9361 299.1962 -184.8136 -153.7166 557716.0087 5.8749 5.8225 PRESSURE: 929800 75.2267 133.658 -130.657 133.658 46.6606 60.62 -130.658 60.6206 -217.348 GPRESSURE: 929800 141.311 127.256 -153.499 85.6721 44.5235 87.579 -56.6852 56.0599 -187.42 PRESSAVG: 929800 53.4114 -40.797 -19.6476 -40.7971 -16.5207 28.758 -19.6477 28.7579 -49.3328 GPRESSAVG: 929800 53.2148 -39.364 -22.2456 -41.0727 -17.0347 30.527 -19.9722 28.8256 -48.9231 TIMING: 929800 CPU: 2700.33, 0.00287626/step Wall: 2700.33, 0.00287626/step, 3.25193 hours remaining, 202.964844 MB of memory in use. ENERGY: 929800 740.1223 2053.4444 1941.5482 131.1447 -206094.9365 17789.2493 0.0000 0.0000 34123.5008 -149315.9269 298.0090 -183439.4277 -149219.3606 298.9124 -31.8203 -0.5283 558691.3604 -4.1474 -4.2477 PRESSURE: 930000 -111.475 16.9989 26.3666 16.9972 -95.7099 107.293 26.3675 107.293 157.112 GPRESSURE: 930000 -100.575 67.0333 67.9904 49.4454 -21.3798 15.6441 -20.9684 78.7114 166.516 PRESSAVG: 930000 13.3612 24.9208 -7.88495 24.9208 -74.4692 -16.4184 -7.88495 -16.4183 41.3744 GPRESSAVG: 930000 13.0903 23.9492 -4.72729 25.9504 -74.3959 -16.5286 -10.7332 -15.8486 40.9762 TIMING: 930000 CPU: 2700.91, 0.00288306/step Wall: 2700.91, 0.00288306/step, 3.25946 hours remaining, 202.964844 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: 930000 730.5496 2039.4063 1962.3658 115.6512 -206657.5596 17946.7071 0.0000 0.0000 34315.1659 -149547.7136 299.6829 -183862.8795 -149452.1231 298.4692 -16.6910 14.8538 556410.6543 -6.5779 -6.7765 PRESSURE: 930200 -52.2837 69.5391 13.8096 69.5398 -26.0954 -139.187 13.8116 -139.187 -30.2609 GPRESSURE: 930200 -4.84651 44.1942 77.703 106.173 19.8152 -118.441 20.6126 -165.059 -40.2663 PRESSAVG: 930200 -21.9936 28.4353 7.14872 28.4354 -5.39707 12.2843 7.14875 12.2844 49.7604 GPRESSAVG: 930200 -20.7779 27.2101 7.07508 30.5131 -5.24155 12.2058 9.82567 12.8875 48.4061 TIMING: 930200 CPU: 2701.49, 0.00290023/step Wall: 2701.49, 0.00290023/step, 3.27871 hours remaining, 202.964844 MB of memory in use. ENERGY: 930200 758.0743 2100.4758 1955.0331 121.8404 -206043.5644 17685.7018 0.0000 0.0000 33946.1547 -149476.2844 296.4602 -183422.4390 -149375.1093 297.7977 -36.2133 -8.4325 557717.2151 7.4566 7.4622 PRESSURE: 930400 -96.6145 -85.9743 -40.7338 -85.9749 -169.326 -121.107 -40.733 -121.108 -212.642 GPRESSURE: 930400 -123.219 -41.6403 -114.824 -209.262 -113.303 -164 -28.8364 -94.0477 -160.023 PRESSAVG: 930400 23.3079 5.0094 6.07994 5.00941 -46.9578 -16.9952 6.0801 -16.9952 44.9228 GPRESSAVG: 930400 22.7722 5.99064 4.98124 1.95481 -46.9113 -16.6415 5.35351 -19.6376 45.313 TIMING: 930400 CPU: 2702.07, 0.00291203/step Wall: 2702.07, 0.00291203/step, 3.29189 hours remaining, 202.964844 MB of memory in use. ENERGY: 930400 768.6948 2049.9500 1968.4055 115.3526 -206445.3078 17769.4134 0.0000 0.0000 34376.0308 -149397.4607 300.2144 -183773.4916 -149302.2587 298.4159 -159.5276 -132.1817 557157.4897 7.0910 7.0580 PRESSURE: 930600 -41.1122 57.0461 -27.9883 57.0455 -197.481 -126.565 -27.9881 -126.566 119.469 GPRESSURE: 930600 32.2056 -14.5539 -55.2846 72.6403 -168.086 -179.062 -28.7985 -130.105 118.296 PRESSAVG: 930600 -40.7727 57.3605 -0.9345 57.3605 -8.8519 -89.7204 -0.93451 -89.7205 2.3221 GPRESSAVG: 930600 -40.3227 54.8746 -2.50794 58.5233 -9.57485 -90.1719 -0.813213 -88.0235 2.79154 TIMING: 930600 CPU: 2702.65, 0.00291143/step Wall: 2702.65, 0.00291142/step, 3.29104 hours remaining, 202.964844 MB of memory in use. ENERGY: 930600 731.7548 2105.1422 1944.1509 108.6171 -206321.5659 17807.2945 0.0000 0.0000 34064.3091 -149560.2974 297.4921 -183624.6065 -149464.3977 298.4789 -39.7082 -5.8614 559200.1872 -15.7675 -15.7020 PRESSURE: 930800 -142.456 84.6759 -8.457 84.6764 25.677 -48.3129 -8.45619 -48.3117 134.876 GPRESSURE: 930800 -96.7888 47.3982 51.8277 117.475 48.5495 -46.9012 -59.1227 -49.9597 167.092 PRESSAVG: 930800 -43.8135 -4.00727 -21.2005 -4.0072 7.55545 32.9045 -21.2006 32.9045 33.4657 GPRESSAVG: 930800 -43.8573 -2.03845 -20.8198 -4.1357 8.4538 32.2522 -20.7095 34.5391 32.5421 TIMING: 930800 CPU: 2703.23, 0.00290478/step Wall: 2703.23, 0.00290478/step, 3.28337 hours remaining, 202.964844 MB of memory in use. ENERGY: 930800 695.4612 2056.5381 1948.7311 109.3830 -205853.7548 17525.4221 0.0000 0.0000 34037.5629 -149480.6565 297.2585 -183518.2193 -149383.7783 297.9263 6.0325 39.6177 558070.7658 -0.9308 -0.9538 PRESSURE: 931000 -286.262 80.2957 136.174 80.2945 7.45061 -141.109 136.173 -141.106 -221.54 GPRESSURE: 931000 -232.658 40.2345 146.602 68.9766 8.47732 -240.326 211.222 -76.4129 -164.331 PRESSAVG: 931000 -4.01909 35.7397 44.0029 35.7395 -5.83421 14.6979 44.0029 14.6979 25.4821 GPRESSAVG: 931000 -4.37326 35.339 43.9867 35.3919 -6.64145 16.3324 43.6179 11.6148 26.2714 TIMING: 931000 CPU: 2703.82, 0.00291176/step Wall: 2703.82, 0.00291176/step, 3.29109 hours remaining, 202.964844 MB of memory in use. ENERGY: 931000 731.4878 2028.6168 1964.8169 113.7486 -206025.4384 17548.1754 0.0000 0.0000 34128.2721 -149510.3209 298.0507 -183638.5930 -149420.1751 297.8336 -166.7840 -129.5039 557761.8134 5.2096 5.0856 PRESSURE: 931200 282.707 246.862 75.2238 246.863 -60.9546 -81.1594 75.2235 -81.1594 159.044 GPRESSURE: 931200 306.274 120.91 29.6645 318.138 -13.0221 -239.843 131.367 -149.743 205.103 PRESSAVG: 931200 32.4377 -23.2798 -3.74838 -23.2799 -53.5442 -20.3595 -3.74831 -20.3594 -0.706829 GPRESSAVG: 931200 31.1882 -23.4752 -1.97126 -22.8765 -53.1698 -24.3095 -5.79835 -17.9537 -0.14629 TIMING: 931200 CPU: 2704.39, 0.00288485/step Wall: 2704.39, 0.00288485/step, 3.26052 hours remaining, 202.964844 MB of memory in use. ENERGY: 931200 724.8315 2022.0974 1959.6614 108.6498 -206405.0090 17895.9829 0.0000 0.0000 34160.4001 -149533.3861 298.3313 -183693.7861 -149441.0969 297.7395 126.9318 166.1181 554966.6079 -7.2711 -7.3760 PRESSURE: 931400 24.9128 -86.0026 0.280155 -86.0034 184.264 -18.9114 0.279952 -18.9093 60.3859 GPRESSURE: 931400 93.9683 -85.58 51.5278 -150.592 214.878 -6.29034 -51.973 12.8392 53.124 PRESSAVG: 931400 -9.13991 2.3383 -21.1412 2.33839 15.0437 -73.41 -21.1412 -73.4099 15.8549 GPRESSAVG: 931400 -7.65671 3.22846 -22.5776 2.48773 13.9258 -71.519 -20.4153 -73.7777 14.7892 TIMING: 931400 CPU: 2704.97, 0.00290675/step Wall: 2704.97, 0.00290675/step, 3.28511 hours remaining, 202.964844 MB of memory in use. ENERGY: 931400 738.7568 2138.9967 1966.1170 114.4051 -206457.3868 17999.5694 0.0000 0.0000 34127.4584 -149372.0834 298.0436 -183499.5418 -149272.5948 297.9178 89.8542 120.6567 556218.8758 7.2529 7.0194 PRESSURE: 931600 138.313 -113.096 -75.3224 -113.096 215.783 100.812 -75.3218 100.813 432.146 GPRESSURE: 931600 171.148 -63.7395 -100.215 -71.308 256.794 17.0978 -62.32 114.593 453.696 PRESSAVG: 931600 -2.99993 -15.5815 49.5324 -15.5816 -46.5176 -27.0487 49.5325 -27.0487 43.4488 GPRESSAVG: 931600 -3.56358 -15.6549 51.3835 -18.5559 -45.9825 -27.6447 50.2838 -29.26 43.6806 TIMING: 931600 CPU: 2705.55, 0.00290298/step Wall: 2705.55, 0.00290298/step, 3.28069 hours remaining, 202.964844 MB of memory in use. ENERGY: 931600 716.4347 2128.8565 1993.8669 110.2093 -206495.0726 18134.5281 0.0000 0.0000 34106.3992 -149304.7780 297.8597 -183411.1772 -149203.4702 298.6518 262.0807 293.8792 556589.5960 -2.0229 -1.9552 PRESSURE: 931800 -19.8819 -18.0482 -164.306 -18.0479 20.7589 -60.9242 -164.305 -60.9228 -47.8057 GPRESSURE: 931800 -36.8478 122.072 -121.888 -127.918 102.328 -106.662 -37.5234 -105.541 -33.9994 PRESSAVG: 931800 26.3357 -20.2822 52.7994 -20.2822 -36.4853 71.5409 52.7994 71.541 52.128 GPRESSAVG: 931800 26.4121 -19.3412 51.0058 -18.7261 -36.9467 73.4069 51.7016 72.3831 52.5254 TIMING: 931800 CPU: 2706.13, 0.00290118/step Wall: 2706.13, 0.00290118/step, 3.2785 hours remaining, 202.964844 MB of memory in use. ENERGY: 931800 762.7725 2072.2018 2011.5380 108.9051 -206378.8963 17775.5014 0.0000 0.0000 34379.7695 -149268.2080 300.2471 -183647.9775 -149167.3995 298.4731 -15.6429 10.4937 556267.2290 13.9928 13.9969 PRESSURE: 932000 47.0477 -68.8043 -30.5294 -68.8055 174.431 -193.434 -30.5305 -193.434 -48.4168 GPRESSURE: 932000 139.309 -34.3942 -80.9558 -101.095 202.906 -219.446 36.2627 -120.476 -76.6575 PRESSAVG: 932000 -17.6182 -15.1623 -1.8433 -15.1624 12.7196 25.8843 -1.84344 25.8843 -36.2366 GPRESSAVG: 932000 -18.9736 -16.6703 -2.63932 -13.8839 13.2134 23.52 -0.260737 27.8087 -36.1522 TIMING: 932000 CPU: 2706.72, 0.00291088/step Wall: 2706.72, 0.00291088/step, 3.2893 hours remaining, 202.964844 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: 932000 731.3314 2120.3675 1992.4710 129.7536 -206382.0761 17979.4846 0.0000 0.0000 34243.8043 -149184.8637 299.0597 -183428.6680 -149090.6002 299.4430 57.6872 88.5192 557133.7104 -13.7117 -13.9708 PRESSURE: 932200 54.1618 -28.5514 -59.6662 -28.5512 110.881 44.0214 -59.6657 44.0197 -193.426 GPRESSURE: 932200 77.2777 -95.167 -22.0809 51.1248 167.421 33.0328 -64.7453 1.24426 -174.503 PRESSAVG: 932200 -55.6233 26.5457 -12.2237 26.5456 -23.1816 -3.3535 -12.2237 -3.35348 28.3469 GPRESSAVG: 932200 -54.8038 25.2629 -10.8483 26.1054 -23.9373 -4.31648 -13.31 -2.28287 28.2039 TIMING: 932200 CPU: 2707.3, 0.00290012/step Wall: 2707.3, 0.00290012/step, 3.27698 hours remaining, 202.964844 MB of memory in use. ENERGY: 932200 745.0006 2037.9069 1974.0616 114.2473 -206016.9709 17808.9273 0.0000 0.0000 34321.8394 -149014.9878 299.7412 -183336.8272 -148926.0682 299.4255 -9.4612 23.3986 557112.7638 -16.8193 -16.8457 LDB: ============= START OF LOAD BALANCING ============== 2710.76 LDB: ============== END OF LOAD BALANCING =============== 2710.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2710.77 LDB: ============= START OF LOAD BALANCING ============== 2711.06 LDB: Largest compute 4820 load 0.028037 is 23.8% of average load 0.117591 LDB: Average compute 0.001736 is 1.5% of average load 0.117591 LDB: TIME 2711.06 LOAD: AVG 0.117591 MAX 0.178715 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.887 MB LDB: TIME 2711.06 LOAD: AVG 0.117591 MAX 0.178715 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: TIME 2711.06 LOAD: AVG 0.117591 MAX 0.178715 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: ============== END OF LOAD BALANCING =============== 2711.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2711.07 PRESSURE: 932400 -256.994 -46.4814 -8.15957 -46.4807 66.1339 17.1928 -8.16025 17.1936 -60.8746 GPRESSURE: 932400 -257.452 -39.6279 -32.2512 -108.959 94.2494 60.0379 10.4851 14.92 15.2691 PRESSAVG: 932400 -56.0934 -0.461503 27.6573 -0.461503 56.0331 68.1444 27.6572 68.1444 64.8147 GPRESSAVG: 932400 -55.9416 -0.622988 28.5505 1.38384 56.9164 71.1427 26.6281 65.1491 63.9035 TIMING: 932400 CPU: 2707.89, 0.00297128/step Wall: 2707.89, 0.00297128/step, 3.35722 hours remaining, 205.906250 MB of memory in use. ENERGY: 932400 734.5683 2114.3576 1991.7252 134.6954 -205939.3742 17579.7756 0.0000 0.0000 34194.7220 -149189.5302 298.6310 -183384.2522 -149094.0623 299.6151 -83.9114 -49.3113 558219.2953 21.5848 21.6261 PRESSURE: 932600 86.3869 -59.2694 -291.222 -59.2689 -127.579 37.7437 -291.221 37.745 152.297 GPRESSURE: 932600 111.126 -57.7988 -240.608 -75.4753 -127.784 34.1541 -246.357 24.9114 221.293 PRESSAVG: 932600 47.329 -32.5012 16.5598 -32.5011 -28.4623 -23.6208 16.5597 -23.6207 -1.93353 GPRESSAVG: 932600 46.0683 -29.4448 14.0115 -33.0923 -28.436 -25.9852 19.1693 -21.8143 -0.580559 TIMING: 932600 CPU: 2708.48, 0.00291883/step Wall: 2708.48, 0.00291883/step, 3.29779 hours remaining, 206.109375 MB of memory in use. ENERGY: 932600 735.3114 2075.1167 1969.0581 115.5000 -206350.3860 17949.8679 0.0000 0.0000 34422.6039 -149082.9280 300.6212 -183505.5319 -148980.0367 299.4262 37.0351 68.2120 558445.9503 5.6444 5.6839 PRESSURE: 932800 -144.136 22.8007 120.302 22.801 55.1116 -82.9568 120.301 -82.9562 -320.065 GPRESSURE: 932800 -127.832 71.6893 152.047 2.22692 125.441 -28.7502 122.946 -63.9524 -317.84 PRESSAVG: 932800 33.547 49.7795 25.3369 49.7795 9.17156 15.9753 25.3368 15.9754 -44.4634 GPRESSAVG: 932800 34.0519 47.032 26.7992 49.6769 8.6983 16.1055 24.8533 16.2655 -45.0697 TIMING: 932800 CPU: 2709.06, 0.00291733/step Wall: 2709.06, 0.00291733/step, 3.29594 hours remaining, 206.109375 MB of memory in use. ENERGY: 932800 800.1184 2127.8937 1985.6064 118.3908 -205963.1912 17612.2156 0.0000 0.0000 34245.3154 -149073.6508 299.0729 -183318.9662 -148974.8825 299.7033 -136.3630 -106.7435 557647.5901 -0.5816 -0.7732 PRESSURE: 933000 14.6383 11.6059 -64.9537 11.6056 -279.987 97.2462 -64.9533 97.2473 19.1539 GPRESSURE: 933000 38.0171 41.7142 -47.4313 38.3658 -204.884 61.877 -25.4473 122.992 27.3688 PRESSAVG: 933000 4.62992 -19.4687 54.6907 -19.4687 -20.2916 -14.5272 54.6908 -14.5271 15.9762 GPRESSAVG: 933000 4.56175 -18.1722 53.0552 -19.633 -19.8966 -14.7221 55.1029 -16.3679 15.5947 TIMING: 933000 CPU: 2709.64, 0.00291221/step Wall: 2709.64, 0.00291221/step, 3.28999 hours remaining, 206.109375 MB of memory in use. ENERGY: 933000 753.9017 2112.0792 1960.7919 122.3618 -206094.4151 17736.7973 0.0000 0.0000 34361.0648 -149047.4184 300.0837 -183408.4831 -148954.7508 299.7840 -82.0648 -46.4994 557408.0725 0.1048 0.0866 PRESSURE: 933200 118.491 -22.5388 83.6853 -22.5394 155.566 -161.682 83.6863 -161.683 -62.8073 GPRESSURE: 933200 167.757 46.9195 146.174 13.925 173.56 -145.675 -25.0027 -207.211 -44.1845 PRESSAVG: 933200 1.61216 -33.6294 19.2558 -33.6295 8.46097 -21.8674 19.2558 -21.8674 -8.7215 GPRESSAVG: 933200 1.76135 -33.6053 18.8669 -35.2978 7.516 -19.1771 19.7995 -21.411 -8.72632 TIMING: 933200 CPU: 2710.22, 0.00291311/step Wall: 2710.22, 0.00291311/step, 3.29085 hours remaining, 206.109375 MB of memory in use. ENERGY: 933200 774.9328 2194.7108 1993.5477 109.4624 -206680.2520 18155.6130 0.0000 0.0000 34248.2041 -149203.7811 299.0981 -183451.9853 -149111.1510 299.9073 70.4164 99.0444 557678.4045 0.4505 0.1837 PRESSURE: 933400 66.9237 -126.914 48.5762 -126.913 -50.8517 -44.8673 48.5757 -44.8689 -35.3854 GPRESSURE: 933400 99.8171 -65.3853 57.5179 -142.315 6.78803 -74.4143 27.7812 -57.4453 -23.6916 PRESSAVG: 933400 36.4027 -31.7393 63.4097 -31.7392 17.8436 -46.238 63.4097 -46.238 -15.0294 GPRESSAVG: 933400 36.5889 -32.5726 66.7316 -32.0635 17.8181 -47.7816 63.2037 -46.8181 -15.2955 TIMING: 933400 CPU: 2710.81, 0.00291581/step Wall: 2710.81, 0.00291581/step, 3.29373 hours remaining, 206.109375 MB of memory in use. ENERGY: 933400 727.7069 2118.6868 1975.2941 111.2162 -206251.1896 17850.2462 0.0000 0.0000 34201.1252 -149266.9142 298.6869 -183468.0394 -149168.8996 299.4602 -6.4378 27.6378 557520.4112 13.0723 13.0372 PRESSURE: 933600 -165.26 -95.4864 118.252 -95.4879 -416.922 135.422 118.252 135.422 -174.716 GPRESSURE: 933600 -114.831 -59.881 150.974 -130.087 -393.997 142.285 102.697 99.1449 -148.969 PRESSAVG: 933600 -44.5297 -38.1728 -3.0638 -38.1728 -23.8039 64.5532 -3.06386 64.5532 26.8308 GPRESSAVG: 933600 -44.0096 -35.8747 -4.28533 -37.9413 -23.7466 63.1049 -5.18738 64.6201 26.457 TIMING: 933600 CPU: 2711.39, 0.00293522/step Wall: 2711.39, 0.00293521/step, 3.31549 hours remaining, 206.312500 MB of memory in use. ENERGY: 933600 730.0398 2187.8192 1949.1587 103.8450 -205834.6985 17304.6693 0.0000 0.0000 34233.1672 -149325.9993 298.9668 -183559.1664 -149238.4944 298.9451 -252.2993 -219.2660 556385.9397 -13.8343 -13.7664 PRESSURE: 933800 -174.445 4.35793 133.048 4.35732 -264.741 41.0434 133.047 41.0438 136.393 GPRESSURE: 933800 -154.179 25.22 102.411 20.2183 -215.009 -53.2714 190.102 110.935 170.869 PRESSAVG: 933800 -20.9202 17.7681 6.65478 17.768 -34.425 57.9189 6.65492 57.9188 12.1268 GPRESSAVG: 933800 -20.643 17.2707 6.12788 16.9478 -34.4608 59.214 9.48641 59.5224 12.4809 TIMING: 933800 CPU: 2711.97, 0.00289471/step Wall: 2711.97, 0.00289471/step, 3.26958 hours remaining, 206.312500 MB of memory in use. ENERGY: 933800 779.6794 2077.6239 1982.7634 106.6646 -205777.4053 17482.4298 0.0000 0.0000 34073.8257 -149274.4184 297.5752 -183348.2441 -149177.4751 298.8428 -100.9313 -66.1062 556855.9602 -14.4061 -14.2076 PRESSURE: 934000 -85.2299 -76.1681 143.68 -76.1676 -195.565 -101.472 143.679 -101.471 303.787 GPRESSURE: 934000 -49.6896 -55.4315 128.458 -74.8372 -79.1065 -49.415 217.459 -150.181 244.569 PRESSAVG: 934000 -30.4797 -23.0361 35.004 -23.0361 -3.23965 65.8905 35.004 65.8904 44.0965 GPRESSAVG: 934000 -30.4525 -22.7339 35.9226 -22.7275 -2.49283 66.6063 34.3176 63.8767 43.0863 TIMING: 934000 CPU: 2712.55, 0.00290296/step Wall: 2712.55, 0.00290296/step, 3.27874 hours remaining, 206.312500 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: 934000 755.1764 2068.5420 1986.7201 118.8920 -206187.9914 17684.7851 0.0000 0.0000 34342.4731 -149231.4026 299.9214 -183573.8758 -149136.2949 298.5756 7.6638 38.5910 555795.9712 3.4591 3.3803 PRESSURE: 934200 -288.237 108.836 -41.0382 108.837 -21.2127 74.0166 -41.0388 74.0165 17.3788 GPRESSURE: 934200 -249.937 36.0158 -58.6031 39.2782 13.4493 40.4683 -66.4879 113.665 40.5849 PRESSAVG: 934200 59.3204 53.8341 29.4769 53.8342 -21.4934 34.382 29.477 34.382 -8.64201 GPRESSAVG: 934200 59.8275 52.4636 29.186 55.1865 -21.9819 35.5075 28.7878 33.4157 -8.33867 TIMING: 934200 CPU: 2713.14, 0.0029179/step Wall: 2713.14, 0.0029179/step, 3.29544 hours remaining, 206.312500 MB of memory in use. ENERGY: 934200 781.3285 2105.5898 1934.9107 106.3645 -206016.3538 17699.5045 0.0000 0.0000 34072.8644 -149315.7914 297.5668 -183388.6558 -149223.3194 298.1369 -97.3568 -65.3008 556557.5451 9.7283 9.8356 PRESSURE: 934400 -329.969 -128.719 41.1387 -128.718 -215.766 63.4729 41.1386 63.4751 -252.637 GPRESSURE: 934400 -267.419 -107.319 110.272 -120.476 -210.739 146.565 70.5106 40.0584 -210.638 PRESSAVG: 934400 12.9705 4.12196 12.0678 4.12192 -29.036 39.1052 12.0679 39.1052 13.5354 GPRESSAVG: 934400 13.3509 3.54201 10.9529 4.88645 -30.2535 37.829 13.5755 41.5483 14.0753 TIMING: 934400 CPU: 2713.72, 0.00290036/step Wall: 2713.72, 0.00290036/step, 3.27547 hours remaining, 206.312500 MB of memory in use. ENERGY: 934400 750.3404 2110.2115 1962.0182 95.8766 -205856.8539 17510.5032 0.0000 0.0000 34146.4453 -149281.4587 298.2094 -183427.9040 -149184.3203 299.3356 -266.1240 -229.5988 559138.3299 -0.8434 -0.9424 PRESSURE: 934600 14.4947 -89.7345 56.0408 -89.7341 53.6492 110.726 56.0403 110.727 -49.5381 GPRESSURE: 934600 64.3888 -94.9953 90.4903 -161.253 58.6777 161.612 73.4606 153.546 4.48198 PRESSAVG: 934600 12.3396 -38.7201 14.4328 -38.7201 61.5584 46.5175 14.4329 46.5175 -31.4753 GPRESSAVG: 934600 11.9918 -38.3255 15.356 -40.7532 62.0655 46.2596 12.654 45.6988 -31.7227 TIMING: 934600 CPU: 2714.3, 0.00290214/step Wall: 2714.3, 0.00290214/step, 3.27732 hours remaining, 206.312500 MB of memory in use. ENERGY: 934600 751.7310 2148.7512 1949.2510 114.2898 -206577.8432 17857.8989 0.0000 0.0000 34352.7442 -149403.1772 300.0111 -183755.9214 -149312.6304 299.1899 6.2019 42.5162 556905.2287 14.1409 14.1115 PRESSURE: 934800 -144.551 42.9421 30.9306 42.9429 -159.938 33.2092 30.9313 33.2097 -165.309 GPRESSURE: 934800 -153.918 84.0549 110.936 63.5401 -84.0573 26.6601 7.35493 55.236 -127.904 PRESSAVG: 934800 -10.7645 -49.4797 -12.2708 -49.4796 16.5724 56.0171 -12.2708 56.0171 36.5231 GPRESSAVG: 934800 -10.685 -50.035 -11.921 -48.3463 16.8482 54.5562 -9.94662 57.5947 35.8266 TIMING: 934800 CPU: 2714.88, 0.00291288/step Wall: 2714.88, 0.00291288/step, 3.28929 hours remaining, 206.312500 MB of memory in use. ENERGY: 934800 755.5382 2102.7264 1967.6110 113.5876 -206136.8906 17733.3291 0.0000 0.0000 34206.1052 -149257.9932 298.7304 -183464.0984 -149158.6012 298.9097 -156.5992 -121.9596 558028.9439 14.1103 13.9966 PRESSURE: 935000 -320.78 -45.1554 284.863 -45.1545 -12.2288 14.2205 284.862 14.2207 -26.0765 GPRESSURE: 935000 -238.346 -76.268 280.318 -69.7101 -39.6438 -33.9025 241.97 -8.15493 3.92546 PRESSAVG: 935000 18.0669 -27.5376 39.0592 -27.5375 -34.6837 -15.0126 39.0592 -15.0126 33.8439 GPRESSAVG: 935000 17.4935 -25.9557 39.0277 -29.5681 -34.1354 -15.4716 37.6603 -15.7066 33.9197 TIMING: 935000 CPU: 2715.46, 0.00289206/step Wall: 2715.46, 0.00289206/step, 3.26561 hours remaining, 206.312500 MB of memory in use. ENERGY: 935000 747.8910 2120.6772 1956.6636 121.0094 -205993.2032 17673.3615 0.0000 0.0000 34319.4982 -149054.1024 299.7207 -183373.6007 -148957.8602 299.0352 -119.6952 -91.3548 558125.7648 5.7424 5.7593 PRESSURE: 935200 -45.2714 81.7946 32.5141 81.7953 -27.8196 142.386 32.5152 142.387 -42.5208 GPRESSURE: 935200 -28.7076 40.196 -9.65752 39.0223 -23.1874 186.414 -17.4162 123.269 33.9651 PRESSAVG: 935200 -45.5437 7.07226 25.8832 7.07222 -4.86209 63.2982 25.8832 63.2982 55.1863 GPRESSAVG: 935200 -44.5958 6.45854 25.8174 8.09955 -5.82391 63.8627 26.7034 63.8979 55.0264 TIMING: 935200 CPU: 2716.04, 0.00289421/step Wall: 2716.04, 0.00289421/step, 3.26789 hours remaining, 206.312500 MB of memory in use. ENERGY: 935200 745.5910 2138.2287 1972.0350 114.4776 -206002.5215 17713.5816 0.0000 0.0000 34235.7369 -149082.8708 298.9892 -183318.6076 -148988.2954 299.7578 -38.5372 -5.9766 556488.1727 1.5935 1.5355 PRESSURE: 935400 27.1355 -198.486 97.0795 -198.486 72.6121 45.7591 97.0795 45.7596 361.919 GPRESSURE: 935400 67.5721 -150.586 122.645 -237.534 70.1442 65.6877 39.1073 11.8128 424.55 PRESSAVG: 935400 34.599 -35.6963 -6.04695 -35.6963 11.232 28.8405 -6.04679 28.8405 -37.1382 GPRESSAVG: 935400 33.8701 -34.6053 -6.43587 -37.0106 11.0645 29.1913 -5.70268 27.9853 -37.1499 TIMING: 935400 CPU: 2716.62, 0.00289145/step Wall: 2716.62, 0.00289145/step, 3.2646 hours remaining, 206.312500 MB of memory in use. ENERGY: 935400 769.8060 2123.0670 1950.9531 118.0561 -206597.4933 18179.6289 0.0000 0.0000 34255.2837 -149200.6984 299.1599 -183455.9821 -149105.0484 299.3094 153.8889 187.4221 557734.0861 2.8976 2.5949 PRESSURE: 935600 -293.319 26.9407 -51.2658 26.9413 -389.063 111.851 -51.2667 111.852 -145.737 GPRESSURE: 935600 -261.368 -31.1247 -12.2657 144.669 -308.916 152.46 -96.8524 87.2478 -161.551 PRESSAVG: 935600 -6.86122 -70.9657 -14.1614 -70.9656 -1.06329 6.08124 -14.1614 6.08123 -49.6787 GPRESSAVG: 935600 -7.37112 -72.3703 -15.0713 -69.5727 -0.738323 6.6203 -13.7997 4.6844 -50.3172 TIMING: 935600 CPU: 2717.2, 0.00293003/step Wall: 2717.2, 0.00293003/step, 3.30801 hours remaining, 206.312500 MB of memory in use. ENERGY: 935600 745.8402 2088.8038 1974.9218 118.0369 -205884.4578 17575.6984 0.0000 0.0000 34255.2570 -149125.8995 299.1597 -183381.1565 -149023.9703 298.9133 -276.0395 -243.9451 558582.7470 -19.2011 -19.4755 PRESSURE: 935800 -42.6515 -20.8019 -16.2605 -20.8014 -19.0389 -91.2381 -16.2621 -91.2389 -227.329 GPRESSURE: 935800 -81.4338 27.3575 -0.265284 4.47182 11.5168 -138.04 38.9241 -113.807 -119.346 PRESSAVG: 935800 -12.5357 6.15194 -25.8607 6.15185 25.4211 -3.5509 -25.8607 -3.5509 -17.4445 GPRESSAVG: 935800 -12.8751 7.10147 -25.4475 6.89087 25.67 -2.83398 -27.6982 -2.62904 -17.4748 TIMING: 935800 CPU: 2717.78, 0.00290453/step Wall: 2717.78, 0.00290453/step, 3.27905 hours remaining, 206.312500 MB of memory in use. ENERGY: 935800 738.5879 2113.1752 1977.7941 113.6819 -205881.9293 17604.5903 0.0000 0.0000 34280.9931 -149053.1067 299.3844 -183334.0998 -148960.4865 299.3149 -96.3399 -63.0877 557740.3748 -1.5197 -1.5600 PRESSURE: 936000 17.0403 -22.4833 -32.1779 -22.483 33.1932 -118.758 -32.1792 -118.759 -33.4479 GPRESSURE: 936000 68.285 -59.7424 -45.0712 1.08456 47.737 -76.871 -105.325 -103.844 0.508925 PRESSAVG: 936000 -27.4838 3.27911 -15.6831 3.27912 29.161 17.3236 -15.6831 17.3237 -8.30365 GPRESSAVG: 936000 -26.3156 2.11272 -14.6721 3.71864 29.1398 16.2149 -16.5565 16.5585 -9.41211 TIMING: 936000 CPU: 2718.36, 0.00287007/step Wall: 2718.36, 0.00287007/step, 3.23999 hours remaining, 206.312500 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: 936000 733.1186 2166.8913 1968.2638 125.2883 -205913.6862 17762.9728 0.0000 0.0000 34148.0971 -149009.0543 298.2238 -183157.1514 -148913.1878 298.8837 5.5952 38.8437 557693.6969 -2.2088 -2.1960 PRESSURE: 936200 -86.7472 145.894 -196.164 145.895 5.54703 -25.1863 -196.164 -25.1851 -288.375 GPRESSURE: 936200 -60.2951 153.264 -203.169 129.189 1.31879 -39.3126 -206.759 128.975 -216.436 PRESSAVG: 936200 8.34584 -5.13406 -33.9195 -5.13409 16.9111 8.96466 -33.9195 8.9646 4.09542 GPRESSAVG: 936200 7.63385 -4.6026 -34.9507 -5.79721 16.3431 9.07163 -32.9071 12.1556 5.16565 TIMING: 936200 CPU: 2718.93, 0.00287705/step Wall: 2718.93, 0.00287705/step, 3.24771 hours remaining, 206.312500 MB of memory in use. ENERGY: 936200 738.5236 2090.6431 1967.0640 124.3058 -206187.3071 17785.8101 0.0000 0.0000 34462.2154 -149018.7451 300.9671 -183480.9605 -148919.5867 299.5320 -123.1918 -91.8042 558617.8581 9.7841 9.7142 LDB: ============= START OF LOAD BALANCING ============== 2722.4 LDB: ============== END OF LOAD BALANCING =============== 2722.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2722.4 LDB: ============= START OF LOAD BALANCING ============== 2722.69 LDB: Largest compute 4820 load 0.027092 is 23.0% of average load 0.117561 LDB: Average compute 0.001743 is 1.5% of average load 0.117561 LDB: TIME 2722.69 LOAD: AVG 0.117561 MAX 0.178604 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.684 MB LDB: TIME 2722.69 LOAD: AVG 0.117561 MAX 0.178604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.75 MB LDB: TIME 2722.69 LOAD: AVG 0.117561 MAX 0.178604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.75 MB LDB: ============== END OF LOAD BALANCING =============== 2722.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2722.7 PRESSURE: 936400 -276.552 213.796 -192.981 213.797 -147.319 14.9261 -192.981 14.9274 -93.2705 GPRESSURE: 936400 -228.717 135.455 -134.151 198.526 -112.47 94.6618 -202.601 -3.21265 -69.6844 PRESSAVG: 936400 -47.5802 -12.3372 -56.7602 -12.3372 23.3706 3.21582 -56.7602 3.21582 55.6498 GPRESSAVG: 936400 -47.3592 -10.5538 -56.9364 -14.2116 22.8961 3.88903 -56.1268 1.68158 56.0529 TIMING: 936400 CPU: 2719.52, 0.00294715/step Wall: 2719.52, 0.00294715/step, 3.32667 hours remaining, 203.222656 MB of memory in use. ENERGY: 936400 751.8506 2128.0209 1958.9618 109.9428 -206017.5690 17771.9428 0.0000 0.0000 34327.4078 -148969.4422 299.7898 -183296.8500 -148876.4032 299.6937 -172.3806 -136.9570 558956.8791 10.4801 10.5299 PRESSURE: 936600 58.4217 255.323 107.965 255.323 -233.818 56.75 107.966 56.7507 -38.6593 GPRESSURE: 936600 128.575 252.24 32.3886 218.905 -204.282 69.0401 103.021 59.8322 -41.1486 PRESSAVG: 936600 -48.1935 22.5763 13.3852 22.5763 63.3052 25.9515 13.3852 25.9515 0.606715 GPRESSAVG: 936600 -47.9229 20.9003 14.1057 22.6916 63.6846 27.3319 12.8396 25.3081 -0.136053 TIMING: 936600 CPU: 2720.1, 0.00289085/step Wall: 2720.1, 0.00289085/step, 3.26296 hours remaining, 203.589844 MB of memory in use. ENERGY: 936600 745.1431 2094.2757 1949.2109 128.9871 -206183.3101 17807.7847 0.0000 0.0000 34342.2446 -149115.6641 299.9194 -183457.9087 -149029.2293 298.8329 -71.3518 -38.9517 557852.5653 5.2395 5.2086 PRESSURE: 936800 -105.096 -15.6418 1.10776 -15.6433 -129.693 -17.9422 1.1069 -17.9415 10.0506 GPRESSURE: 936800 -102.643 2.62442 -53.0056 7.91088 -88.5869 -1.8244 -12.4854 25.2165 68.3102 PRESSAVG: 936800 -40.5432 27.1918 -52.6747 27.1918 17.2534 -9.98547 -52.6747 -9.9854 19.4525 GPRESSAVG: 936800 -41.7877 28.5216 -52.4677 26.1794 17.6242 -10.7975 -52.5082 -9.30401 20.4499 TIMING: 936800 CPU: 2720.68, 0.00288724/step Wall: 2720.68, 0.00288724/step, 3.25873 hours remaining, 203.589844 MB of memory in use. ENERGY: 936800 750.4761 2154.2002 1955.3646 99.8532 -206022.8188 17541.7858 0.0000 0.0000 34312.0185 -149209.1205 299.6554 -183521.1390 -149107.2109 298.3099 -74.9127 -40.9734 557416.3657 -1.2791 -1.2378 PRESSURE: 937000 56.9097 -125.839 -90.0395 -125.839 62.0477 -102.42 -90.0393 -102.418 35.0549 GPRESSURE: 937000 88.0422 -156.117 -105.155 -89.6718 118.157 -174.237 -49.2161 -80.3145 46.596 PRESSAVG: 937000 -2.01826 21.6306 -16.3898 21.6305 -9.34976 9.07416 -16.3898 9.07421 -24.9974 GPRESSAVG: 937000 -0.927836 22.9967 -15.5047 23.6691 -9.5971 8.36645 -16.2663 10.0554 -26.2562 TIMING: 937000 CPU: 2721.25, 0.00288714/step Wall: 2721.25, 0.00288714/step, 3.25846 hours remaining, 203.589844 MB of memory in use. ENERGY: 937000 738.0235 2102.1691 1978.4817 122.5790 -206419.9715 17998.4084 0.0000 0.0000 34443.2805 -149037.0293 300.8017 -183480.3097 -148943.2021 299.9881 51.3374 84.2649 557652.2880 -12.1218 -12.2604 PRESSURE: 937200 15.493 -42.7427 -80.2187 -42.742 -139.292 -16.1232 -80.2193 -16.1216 -34.0597 GPRESSURE: 937200 30.2376 -172.92 -15.0959 70.4443 -123.426 -2.3302 -104.677 -28.538 25.2701 PRESSAVG: 937200 -3.41321 7.36911 23.3009 7.36912 -16.706 -7.97616 23.3009 -7.97618 9.26589 GPRESSAVG: 937200 -4.25362 4.98904 22.5687 7.31701 -16.4455 -7.32607 26.107 -9.08015 9.98741 TIMING: 937200 CPU: 2721.83, 0.00289592/step Wall: 2721.83, 0.00289592/step, 3.26821 hours remaining, 203.660156 MB of memory in use. ENERGY: 937200 729.8013 2082.2476 1957.1456 106.8846 -206172.2946 17717.4287 0.0000 0.0000 34536.7022 -149042.0845 301.6176 -183578.7867 -148944.0522 300.0416 -52.6196 -22.6395 558417.8803 -3.6178 -3.5706 PRESSURE: 937400 183.863 115.863 -75.6435 115.863 168.679 -53.6462 -75.6425 -53.6459 388.747 GPRESSURE: 937400 224.899 84.7646 -124.959 155.974 219.108 -59.1936 24.8409 -44.482 386.083 PRESSAVG: 937400 -4.59969 12.5491 6.6024 12.5491 -39.918 10.7353 6.60242 10.7354 51.2037 GPRESSAVG: 937400 -3.05184 12.8081 10.0637 12.2014 -39.9661 10.4179 4.47011 12.9563 49.7739 TIMING: 937400 CPU: 2722.42, 0.00291386/step Wall: 2722.42, 0.00291386/step, 3.28829 hours remaining, 203.660156 MB of memory in use. ENERGY: 937400 715.3269 2102.9883 1961.9600 112.3302 -206232.8142 18016.5941 0.0000 0.0000 34275.7196 -149047.8951 299.3384 -183323.6147 -148954.3638 300.0128 247.0963 276.6969 555882.5836 2.2287 2.2520 PRESSURE: 937600 235.82 -86.7955 124.045 -86.7958 34.099 79.8373 124.044 79.8363 -162.437 GPRESSURE: 937600 265.113 -97.6287 67.3734 -78.0374 87.9483 126.103 92.7495 21.5643 -149.391 PRESSAVG: 937600 17.6303 17.3201 -6.44676 17.3199 42.4187 -10.1142 -6.44677 -10.1143 -65.5514 GPRESSAVG: 937600 17.8679 16.8693 -10.3236 18.1494 41.4189 -9.66787 -6.23424 -11.7838 -64.9473 TIMING: 937600 CPU: 2723, 0.00290361/step Wall: 2723, 0.00290361/step, 3.27656 hours remaining, 203.863281 MB of memory in use. ENERGY: 937600 703.5836 2145.3138 1967.6720 114.0723 -206155.7392 17759.3847 0.0000 0.0000 34353.3425 -149112.3703 300.0163 -183465.7128 -149016.8107 299.1586 35.8275 67.8903 556968.9349 -1.8341 -1.8868 PRESSURE: 937800 122.561 123.911 53.9747 123.911 254.725 16.5865 53.9745 16.5864 280.28 GPRESSURE: 937800 187.927 75.633 1.15996 30.7918 295.231 84.5537 111.262 -12.9477 272.277 PRESSAVG: 937800 56.8768 -21.8638 -15.6324 -21.8638 -59.759 35.0857 -15.6324 35.0856 -48.433 GPRESSAVG: 937800 57.1272 -22.4461 -14.6343 -22.3687 -58.4622 34.7913 -14.9479 36.6315 -49.9133 TIMING: 937800 CPU: 2723.58, 0.00291112/step Wall: 2723.58, 0.00291112/step, 3.28487 hours remaining, 203.863281 MB of memory in use. ENERGY: 937800 731.4586 2143.4401 1978.7605 105.7273 -206469.9606 18022.2079 0.0000 0.0000 34278.3625 -149210.0038 299.3615 -183488.3663 -149112.5046 299.7654 219.1888 251.8117 554867.4618 -17.1050 -17.0828 PRESSURE: 938000 -265.153 -18.6944 59.2489 -18.6944 -89.7158 101.123 59.2498 101.125 -435.873 GPRESSURE: 938000 -296.587 15.7078 142.261 7.09117 -24.9466 105.448 -37.2838 64.3353 -365.307 PRESSAVG: 938000 20.8942 -10.4331 -5.18783 -10.433 45.7588 -12.4739 -5.18783 -12.4739 -70.6242 GPRESSAVG: 938000 20.7842 -9.27347 -6.02813 -9.38128 44.7384 -10.8288 -7.06361 -14.5952 -69.555 TIMING: 938000 CPU: 2724.16, 0.00289943/step Wall: 2724.16, 0.00289943/step, 3.27152 hours remaining, 203.863281 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: 938000 758.5145 2135.3612 1984.5838 115.7935 -206104.1453 17454.1880 0.0000 0.0000 34297.1320 -149358.5723 299.5254 -183655.7044 -149267.0537 299.2074 -263.5804 -228.9470 557354.3226 -1.3237 -1.3442 PRESSURE: 938200 6.72759 -106.213 42.1995 -106.212 73.5248 -7.9501 42.1995 -7.94978 -10.9396 GPRESSURE: 938200 49.1592 -147.172 -23.5951 -77.6618 72.7669 -0.747848 86.0496 -32.6021 43.337 PRESSAVG: 938200 64.8171 4.44131 37.1972 4.44131 14.6688 67.9326 37.1971 67.9326 -51.25 GPRESSAVG: 938200 63.7032 3.65194 39.4063 3.546 14.9093 68.445 36.6415 67.934 -50.6347 TIMING: 938200 CPU: 2724.74, 0.00289899/step Wall: 2724.74, 0.00289899/step, 3.27086 hours remaining, 203.863281 MB of memory in use. ENERGY: 938200 735.9426 2110.7106 2007.5281 119.2534 -206326.5364 17896.7881 0.0000 0.0000 34199.5671 -149256.7465 298.6733 -183456.3136 -149159.3914 299.1266 23.1043 55.0877 556909.6038 9.4120 9.3260 PRESSURE: 938400 64.7205 -110.19 -129.98 -110.191 137.731 -36.4738 -129.981 -36.4752 -308.27 GPRESSURE: 938400 70.2013 -137.648 -155.908 -129.794 141.499 30.3679 -63.7336 -93.8562 -224.016 PRESSAVG: 938400 -16.8078 -20.4844 -24.4844 -20.4845 35.9345 -6.14016 -24.4844 -6.14015 -40.507 GPRESSAVG: 938400 -15.8453 -17.1077 -27.17 -23.0928 35.0746 -5.59722 -23.3936 -6.12559 -40.832 TIMING: 938400 CPU: 2725.32, 0.00290733/step Wall: 2725.32, 0.00290733/step, 3.28012 hours remaining, 203.863281 MB of memory in use. ENERGY: 938400 792.7009 2108.0892 1998.5062 112.6117 -206272.6023 17846.9390 0.0000 0.0000 34153.0097 -149260.7456 298.2667 -183413.7553 -149164.4924 298.9159 -35.2728 -4.1055 557458.6702 -7.1268 -7.2009 PRESSURE: 938600 -221.924 255.723 53.7886 255.723 -446.721 -9.33567 53.7881 -9.33696 -316.688 GPRESSURE: 938600 -186.653 215.182 107.458 214.038 -375.86 -38.4933 2.43906 -34.5123 -319.662 PRESSAVG: 938600 26.3619 9.66875 -7.58061 9.66875 25.4413 -27.845 -7.58065 -27.8449 -18.5781 GPRESSAVG: 938600 25.6941 6.41355 -7.30235 11.8722 26.052 -28.0232 -5.85949 -27.7101 -18.2844 TIMING: 938600 CPU: 2725.9, 0.002907/step Wall: 2725.9, 0.002907/step, 3.27958 hours remaining, 203.863281 MB of memory in use. ENERGY: 938600 807.1271 2118.9717 1960.6473 115.9329 -206024.1684 17535.6179 0.0000 0.0000 34375.7176 -149110.1538 300.2117 -183485.8714 -149021.3511 299.2135 -328.4444 -294.0580 558497.1085 11.0750 11.1539 PRESSURE: 938800 -222.355 118.011 45.1479 118.011 174.07 -126.557 45.1468 -126.56 98.1756 GPRESSURE: 938800 -155.101 78.71 12.1159 67.5794 140.587 -147.441 73.0786 -156.563 165.08 PRESSAVG: 938800 -6.44607 -30.4652 -16.4739 -30.4653 8.96704 -43.4629 -16.4739 -43.4629 6.72065 GPRESSAVG: 938800 -5.17753 -28.9616 -14.5643 -29.3075 8.10023 -44.5467 -18.8776 -42.2266 6.43655 TIMING: 938800 CPU: 2726.48, 0.00289769/step Wall: 2726.48, 0.00289769/step, 3.26892 hours remaining, 203.863281 MB of memory in use. ENERGY: 938800 722.8776 2100.4490 1965.9344 108.4844 -206095.7639 17816.3759 0.0000 0.0000 34341.8400 -149039.8026 299.9158 -183381.6426 -148946.2059 300.1530 16.6301 50.1889 557055.5750 3.0805 3.1198 PRESSURE: 939000 267.026 76.0103 -97.4479 76.0102 -55.4054 -62.903 -97.4486 -62.9036 66.1611 GPRESSURE: 939000 265.805 85.4168 -148.977 62.6347 25.171 -1.07094 -62.405 -141.117 91.2794 PRESSAVG: 939000 66.1766 -10.684 -22.8184 -10.6841 -28.0895 1.77556 -22.8185 1.77547 -53.9522 GPRESSAVG: 939000 64.6039 -11.6486 -24.2982 -11.8418 -26.7781 1.07495 -22.0219 2.28492 -53.3445 TIMING: 939000 CPU: 2727.06, 0.00290571/step Wall: 2727.06, 0.00290571/step, 3.2778 hours remaining, 203.863281 MB of memory in use. ENERGY: 939000 736.7620 2018.9987 1940.6476 110.8369 -206125.5405 18045.0428 0.0000 0.0000 34184.0621 -149089.1903 298.5379 -183273.2524 -148983.9434 299.6454 92.5940 127.4186 557957.1830 -5.2883 -5.1729 PRESSURE: 939200 2.24299 106.761 -89.7464 106.76 -144.894 101.303 -89.7463 101.303 -85.7254 GPRESSURE: 939200 13.458 133.455 -123.185 10.7045 -88.8396 64.9403 -47.3401 92.9706 -49.165 PRESSAVG: 939200 66.9401 0.252468 47.8769 0.252386 -24.7749 51.5236 47.877 51.5236 -34.9997 GPRESSAVG: 939200 67.5602 0.504735 47.8357 0.158643 -24.9868 51.8304 48.9933 49.935 -35.1643 TIMING: 939200 CPU: 2727.64, 0.00287697/step Wall: 2727.64, 0.00287697/step, 3.24522 hours remaining, 203.863281 MB of memory in use. ENERGY: 939200 732.7246 2066.9797 1961.2363 118.9454 -206045.8283 17764.8753 0.0000 0.0000 34252.3691 -149148.6979 299.1345 -183401.0670 -149053.5039 299.6048 -76.1255 -41.5155 556524.0628 2.3885 2.4697 PRESSURE: 939400 54.7883 -24.4343 -54.6919 -24.4342 -395.678 71.9756 -54.6902 71.9772 -0.572802 GPRESSURE: 939400 58.4747 -22.9499 -105.087 -26.1391 -335.601 50.9956 -60.538 57.3013 24.2072 PRESSAVG: 939400 63.1852 35.3076 24.0937 35.3077 4.06238 9.46977 24.0938 9.46988 -38.8493 GPRESSAVG: 939400 61.8027 35.2316 23.1673 36.5741 3.74791 9.80223 25.3437 9.69437 -37.8727 TIMING: 939400 CPU: 2728.22, 0.00290865/step Wall: 2728.22, 0.00290865/step, 3.2808 hours remaining, 203.863281 MB of memory in use. ENERGY: 939400 716.0007 2101.2405 1959.5910 112.7016 -205954.3678 17665.5322 0.0000 0.0000 34419.5289 -148979.7730 300.5943 -183399.3018 -148886.2060 299.9178 -113.8210 -84.3064 557189.5447 9.4661 9.2260 PRESSURE: 939600 -64.6233 -110.846 119.981 -110.847 63.7645 -130.488 119.981 -130.488 -152.425 GPRESSURE: 939600 -34.1203 -84.8296 114.682 -17.7169 122.133 -63.5116 96.2535 -170.217 -138.932 PRESSAVG: 939600 49.2409 -31.8929 6.41608 -31.8929 -35.6427 24.6728 6.41611 24.6727 -19.6015 GPRESSAVG: 939600 49.9868 -31.9406 6.2713 -32.6344 -34.3884 26.237 5.41836 25.4235 -21.2067 TIMING: 939600 CPU: 2728.8, 0.00288943/step Wall: 2728.8, 0.00288943/step, 3.25896 hours remaining, 203.863281 MB of memory in use. ENERGY: 939600 762.0853 2074.3867 1974.5703 116.7838 -206001.3256 17782.7790 0.0000 0.0000 34253.9267 -149036.7938 299.1481 -183290.7205 -148946.3470 300.1424 -51.0947 -16.9730 555695.8089 -2.0011 -1.8694 PRESSURE: 939800 -149.813 -25.0923 143.93 -25.0939 -193.437 -58.3831 143.932 -58.3829 -116.71 GPRESSURE: 939800 -149.984 -25.887 152.37 -41.052 -84.4598 -36.1565 143.389 -45.9517 -129.126 PRESSAVG: 939800 -16.6588 -24.2866 -19.1932 -24.2867 -3.06528 -26.6468 -19.1933 -26.6468 3.27394 GPRESSAVG: 939800 -16.3399 -24.6982 -17.4562 -24.1136 -4.11956 -28.8392 -19.6612 -24.4944 3.82168 TIMING: 939800 CPU: 2729.38, 0.00289762/step Wall: 2729.38, 0.00289762/step, 3.26803 hours remaining, 203.863281 MB of memory in use. ENERGY: 939800 786.4107 2094.8344 1947.7480 111.8171 -205858.5850 17589.3526 0.0000 0.0000 34433.6557 -148894.7664 300.7177 -183328.4221 -148803.5793 299.7353 -153.3199 -121.1901 557101.3207 -5.4834 -5.5459 PRESSURE: 940000 232.945 -136.191 258.533 -136.191 21.1411 -85.613 258.534 -85.6143 281.018 GPRESSURE: 940000 294.644 -126.999 245.734 -62.1644 24.2776 -108.594 288.726 -68.5971 298.819 PRESSAVG: 940000 32.0827 -38.9643 16.7292 -38.9644 32.7056 -50.436 16.7292 -50.4361 3.99675 GPRESSAVG: 940000 33.3629 -39.1332 17.5413 -40.0098 32.1971 -49.9715 16.4368 -50.8835 3.31434 TIMING: 940000 CPU: 2729.96, 0.00290297/step Wall: 2729.96, 0.00290297/step, 3.27391 hours remaining, 203.863281 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: 940000 745.5990 2148.2401 1978.6240 108.7337 -206172.0923 17959.7551 0.0000 0.0000 34393.4634 -148837.6771 300.3667 -183231.1405 -148737.1043 300.0076 178.3682 205.9135 556774.7232 22.9283 22.9581 PRESSURE: 940200 12.1227 -89.8716 213.893 -89.8705 25.0747 103.167 213.892 103.167 -13.8957 GPRESSURE: 940200 10.9247 -80.0107 208.818 -19.9326 33.5548 88.2172 221.566 105.95 79.5371 PRESSAVG: 940200 -35.0115 15.4581 41.9798 15.4581 -32.691 46.0755 41.9798 46.0757 40.1336 GPRESSAVG: 940200 -36.4705 15.5876 41.6912 18.5586 -31.9237 45.4693 41.4805 44.9838 41.0367 TIMING: 940200 CPU: 2730.54, 0.00289272/step Wall: 2730.54, 0.00289272/step, 3.26219 hours remaining, 203.863281 MB of memory in use. ENERGY: 940200 741.9515 2097.1465 1964.0186 115.5548 -206032.5778 17851.4006 0.0000 0.0000 34377.9655 -148884.5403 300.2313 -183262.5057 -148790.5015 300.4402 7.7672 41.3389 557513.9294 -9.1896 -9.1192 LDB: ============= START OF LOAD BALANCING ============== 2734 LDB: ============== END OF LOAD BALANCING =============== 2734 LDB: =============== DONE WITH MIGRATION ================ 2734.01 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2734.3 LDB: Largest compute 4820 load 0.026883 is 22.9% of average load 0.117594 LDB: Average compute 0.001737 is 1.5% of average load 0.117594 LDB: TIME 2734.3 LOAD: AVG 0.117594 MAX 0.176748 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 2734.3 LOAD: AVG 0.117594 MAX 0.176748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: TIME 2734.3 LOAD: AVG 0.117594 MAX 0.176748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.066 MB LDB: ============== END OF LOAD BALANCING =============== 2734.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2734.31 PRESSURE: 940400 58.8502 36.6965 23.4205 36.6963 -122.362 117.028 23.4196 117.027 98.7138 GPRESSURE: 940400 69.9131 -100.596 50.0199 60.9814 -124.014 198.199 -40.6716 128.821 173.919 PRESSAVG: 940400 -9.74013 -5.58655 24.3547 -5.58662 -78.9705 -9.28157 24.3548 -9.28145 101.136 GPRESSAVG: 940400 -10.176 -5.10464 24.7356 -10.1447 -78.8562 -8.86527 23.149 -9.15314 101.48 TIMING: 940400 CPU: 2731.13, 0.00297809/step Wall: 2731.13, 0.00297809/step, 3.35829 hours remaining, 205.085938 MB of memory in use. ENERGY: 940400 764.4888 2110.8407 1965.3023 103.9766 -205996.6118 17876.0621 0.0000 0.0000 34280.9786 -148894.9628 299.3843 -183175.9413 -148803.0506 299.9148 11.7339 39.9394 557472.0601 4.1417 4.1491 PRESSURE: 940600 7.8191 -134.72 43.3787 -134.72 107.527 -203.844 43.3788 -203.842 -31.3019 GPRESSURE: 940600 -1.75139 -226.856 -18.3026 -76.4741 161.464 -224.023 79.9121 -156.569 20.6359 PRESSAVG: 940600 -16.5757 -28.3557 14.4851 -28.3557 8.23898 -9.36193 14.4851 -9.36196 -13.4956 GPRESSAVG: 940600 -16.6024 -30.5302 15.2436 -24.2702 8.41707 -7.85153 14.9983 -11.2246 -14.4052 TIMING: 940600 CPU: 2731.71, 0.002912/step Wall: 2731.71, 0.002912/step, 3.2836 hours remaining, 205.085938 MB of memory in use. ENERGY: 940600 722.3537 2128.3011 1974.2854 111.6227 -205941.9467 17644.1299 0.0000 0.0000 34519.3187 -148841.9352 301.4658 -183361.2539 -148743.0943 300.2585 28.0147 60.1161 556254.2953 -7.2774 -7.5302 PRESSURE: 940800 95.2664 199.351 -32.7061 199.351 -123.81 -7.43554 -32.7066 -7.43642 -18.8646 GPRESSURE: 940800 124.343 154.116 -8.25388 217.562 -77.175 -6.54378 4.1551 -120.311 -7.40117 PRESSAVG: 940800 25.504 31.208 10.3447 31.2082 68.2463 -27.194 10.3447 -27.1941 -42.3532 GPRESSAVG: 940800 25.4758 32.5041 9.76096 26.8347 67.7813 -28.1998 10.0527 -27.1258 -42.3447 TIMING: 940800 CPU: 2732.29, 0.00288498/step Wall: 2732.29, 0.00288498/step, 3.25297 hours remaining, 205.085938 MB of memory in use. ENERGY: 940800 727.7471 2104.4536 1992.9141 118.7882 -206478.7655 17888.8456 0.0000 0.0000 34579.4944 -149066.5225 301.9913 -183646.0169 -148968.8731 300.1223 -15.8028 13.2555 556540.8596 17.1324 16.9708 PRESSURE: 941000 -114.359 32.9809 -14.7195 32.9812 -152.209 -81.678 -14.7198 -81.676 -98.1141 GPRESSURE: 941000 -14.5149 31.4843 63.0364 46.206 -162.124 -111.217 -74.9243 -72.0234 -82.3116 PRESSAVG: 941000 -15.2096 31.5352 -2.13498 31.5351 64.5467 -46.8953 -2.13499 -46.8954 -68.9888 GPRESSAVG: 941000 -14.8743 31.4058 -3.83939 33.722 64.5349 -48.0186 -3.23813 -45.5625 -68.4784 TIMING: 941000 CPU: 2732.87, 0.00288433/step Wall: 2732.87, 0.00288433/step, 3.25208 hours remaining, 205.085938 MB of memory in use. ENERGY: 941000 764.6371 2070.6563 1976.7809 120.5207 -206030.0910 17539.6562 0.0000 0.0000 34252.6343 -149305.2055 299.1368 -183557.8398 -149209.4333 299.0448 -121.5607 -86.3169 556105.0162 -6.5506 -6.2726 PRESSURE: 941200 -141.501 139.765 -23.5652 139.764 -66.0107 -104.687 -23.5662 -104.688 -250.101 GPRESSURE: 941200 -107.131 171.614 25.1279 95.3642 -23.7903 -123.426 34.3276 -100.155 -214.04 PRESSAVG: 941200 62.9096 4.23506 68.928 4.23508 9.23567 -7.67319 68.928 -7.67318 -48.8523 GPRESSAVG: 941200 62.5363 3.06326 68.8697 4.84802 9.5004 -5.08618 70.7046 -8.74395 -48.7264 TIMING: 941200 CPU: 2733.45, 0.00289143/step Wall: 2733.45, 0.00289143/step, 3.25993 hours remaining, 205.085938 MB of memory in use. ENERGY: 941200 748.4051 2103.4667 1989.2767 108.2670 -206036.1283 17548.7923 0.0000 0.0000 34218.9686 -149318.9520 298.8428 -183537.9206 -149213.0564 298.5059 -152.5375 -114.9869 557843.1885 7.7643 7.7701 PRESSURE: 941400 297.741 -51.9743 26.7553 -51.9747 287.499 -85.6553 26.7556 -85.6561 221.102 GPRESSURE: 941400 307.162 -36.2134 -28.8258 -128.152 321.716 -54.5826 59.5071 -70.4599 263.473 PRESSAVG: 941400 -27.0742 33.6031 -15.0157 33.6031 28.9022 -10.318 -15.0158 -10.3179 -38.2891 GPRESSAVG: 941400 -27.0817 35.1768 -14.9 32.0737 29.1597 -12.9696 -16.5382 -8.76638 -38.0554 TIMING: 941400 CPU: 2734.03, 0.00289721/step Wall: 2734.03, 0.00289721/step, 3.26628 hours remaining, 205.343750 MB of memory in use. ENERGY: 941400 763.1726 2084.5108 1970.7357 122.9063 -206452.0014 18214.2240 0.0000 0.0000 34197.8638 -149098.5882 298.6585 -183296.4520 -149007.7330 299.1117 268.7808 297.4506 556920.4367 -12.1537 -11.9925 PRESSURE: 941600 -101.53 -78.4775 2.46652 -78.4792 136.905 61.9342 2.46742 61.9371 187.87 GPRESSURE: 941600 -134.086 -97.7999 -52.4638 -47.8482 171.333 19.2997 -8.54486 68.0718 269.038 PRESSAVG: 941600 -12.4128 -9.49778 58.2312 -9.49782 34.9797 34.1866 58.2311 34.1865 11.7725 GPRESSAVG: 941600 -12.7925 -11.9528 60.2247 -9.6091 35.4604 35.6978 60.9455 32.9943 11.2064 TIMING: 941600 CPU: 2734.6, 0.00288584/step Wall: 2734.6, 0.00288584/step, 3.2533 hours remaining, 205.343750 MB of memory in use. ENERGY: 941600 730.6978 2050.9930 1954.6329 125.9067 -206066.6614 17859.8902 0.0000 0.0000 34201.6913 -149142.8496 298.6919 -183344.5409 -149039.0074 299.5426 74.4152 102.0950 558199.7196 11.4465 11.2914 PRESSURE: 941800 -295.071 90.6434 145.738 90.6423 -106.87 -66.7511 145.738 -66.7522 -70.4878 GPRESSURE: 941800 -253.794 32.6816 169.61 116.333 -52.0489 -26.8761 176.881 -82.5092 -59.6439 PRESSAVG: 941800 -23.3565 -49.1223 11.1579 -49.1223 -11.5481 -16.3051 11.158 -16.305 41.9492 GPRESSAVG: 941800 -22.7921 -46.8481 11.6418 -48.2738 -11.789 -16.1551 9.54157 -17.2991 41.5609 TIMING: 941800 CPU: 2735.18, 0.00287345/step Wall: 2735.18, 0.00287345/step, 3.23918 hours remaining, 205.441406 MB of memory in use. ENERGY: 941800 745.8394 2069.7989 1971.1635 114.3509 -205769.5138 17724.9200 0.0000 0.0000 33993.9920 -149149.4490 296.8780 -183143.4411 -149051.4917 298.5712 -157.4765 -121.8289 559255.6190 2.3482 2.3266 PRESSURE: 942000 85.5972 -9.17705 31.3821 -9.17668 -244.654 -48.7398 31.3813 -48.7389 311.836 GPRESSURE: 942000 82.3353 -42.4914 76.0956 24.9316 -183.012 -71.3752 48.3341 -19.9971 344.058 PRESSAVG: 942000 16.6538 20.4055 -3.02022 20.4054 14.636 -18.113 -3.02034 -18.1131 1.1024 GPRESSAVG: 942000 16.8878 19.846 -5.69441 18.7159 12.9005 -19.6242 -1.71378 -18.0102 2.90627 TIMING: 942000 CPU: 2735.76, 0.00289325/step Wall: 2735.76, 0.00289325/step, 3.26133 hours remaining, 205.441406 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: 942000 765.4583 2082.1549 1976.9443 116.5804 -206577.2659 18210.1871 0.0000 0.0000 34329.2673 -149096.6736 299.8060 -183425.9409 -148996.6704 299.9774 50.9263 81.1270 559802.1250 10.7974 10.8982 PRESSURE: 942200 -97.4555 151.856 134.098 151.855 -178.608 130.093 134.101 130.092 -30.6221 GPRESSURE: 942200 -53.0945 152.958 166.655 93.282 -196.914 148.551 89.1031 157.452 45.9593 PRESSAVG: 942200 -23.7695 -21.3441 65.9326 -21.3442 11.5794 34.0362 65.9326 34.0363 -6.65915 GPRESSAVG: 942200 -23.9469 -23.0052 68.9163 -18.4483 13.0495 35.6168 62.5819 35.4588 -7.53068 TIMING: 942200 CPU: 2736.33, 0.00287387/step Wall: 2736.33, 0.00287387/step, 3.23933 hours remaining, 205.441406 MB of memory in use. ENERGY: 942200 739.8689 2046.9471 1999.0379 110.3071 -205711.2441 17614.9383 0.0000 0.0000 34187.9388 -149012.2060 298.5718 -183200.1448 -148922.4197 299.4222 -102.2287 -68.0164 560265.0730 -6.2831 -6.1427 PRESSURE: 942400 7.06514 -147.802 26.4897 -147.802 -108.911 30.1318 26.4893 30.1325 -71.3845 GPRESSURE: 942400 -16.1626 -107.855 66.9568 -135.024 -31.3313 -16.8793 -16.8514 76.3038 -32.8238 PRESSAVG: 942400 -51.4099 5.79093 33.5533 5.7909 27.5471 15.2147 33.5534 15.2146 36.9737 GPRESSAVG: 942400 -51.0683 7.73098 34.3273 5.55799 28.406 15.1891 34.5917 16.9508 36.5181 TIMING: 942400 CPU: 2736.91, 0.00289559/step Wall: 2736.91, 0.00289559/step, 3.26365 hours remaining, 205.441406 MB of memory in use. ENERGY: 942400 727.8740 2086.6218 1970.2728 104.2811 -206204.9337 17816.2087 0.0000 0.0000 34221.8095 -149277.8658 298.8676 -183499.6754 -149178.0323 299.1300 -57.7436 -26.7726 560083.1172 4.3703 4.6186 PRESSURE: 942600 -81.021 48.3934 15.586 48.3945 -72.6928 3.0378 15.5855 3.03798 -0.697395 GPRESSURE: 942600 -45.3258 -28.6375 -41.827 118.184 -33.8705 30.829 32.7863 3.36958 19.451 PRESSAVG: 942600 1.33047 -36.5852 -18.3626 -36.5852 9.81915 -27.2996 -18.3625 -27.2996 14.1461 GPRESSAVG: 942600 1.45325 -36.8882 -19.8435 -38.813 8.83688 -29.4811 -17.668 -26.4682 14.6292 TIMING: 942600 CPU: 2737.48, 0.00286908/step Wall: 2737.48, 0.00286908/step, 3.23361 hours remaining, 205.441406 MB of memory in use. ENERGY: 942600 763.3202 2070.9937 1985.6269 115.0899 -206022.4295 17837.2871 0.0000 0.0000 33952.3343 -149297.7774 296.5142 -183250.1117 -149202.1863 298.9096 -51.4704 -19.9151 558522.5302 8.4319 8.3064 PRESSURE: 942800 -164.905 -100.507 252.55 -100.508 -197.212 -95.3756 252.55 -95.3757 50.3167 GPRESSURE: 942800 -90.7563 -102.29 248.093 -166.763 -229.27 -112.89 204.025 -50.7276 86.7772 PRESSAVG: 942800 -13.4072 -39.8361 26.753 -39.8362 6.14713 14.1607 26.7529 14.1608 13.4388 GPRESSAVG: 942800 -13.6231 -40.0968 27.5319 -37.1546 5.92629 14.7161 26.0024 9.3579 13.6114 TIMING: 942800 CPU: 2738.06, 0.00290507/step Wall: 2738.06, 0.00290507/step, 3.27402 hours remaining, 205.441406 MB of memory in use. ENERGY: 942800 748.6829 2119.6637 1990.0302 109.5059 -206404.6287 17814.8250 0.0000 0.0000 34244.7054 -149377.2156 299.0675 -183621.9210 -149281.3292 298.7218 -103.9335 -77.7496 558563.5247 2.0596 1.9715 PRESSURE: 943000 106.65 -186.23 -75.7292 -186.23 -38.5505 53.8538 -75.729 53.8526 -65.1163 GPRESSURE: 943000 134.313 -263.004 -13.9158 -124.192 23.6202 123.703 -69.13 13.0989 -58.6187 PRESSAVG: 943000 -7.14798 -0.513575 -3.28556 -0.513671 8.42156 9.05859 -3.28556 9.05862 34.0422 GPRESSAVG: 943000 -6.56273 0.807977 -3.3369 -2.06315 8.94789 12.0568 -1.52941 9.5269 33.022 TIMING: 943000 CPU: 2738.65, 0.00292338/step Wall: 2738.65, 0.00292338/step, 3.29448 hours remaining, 205.441406 MB of memory in use. ENERGY: 943000 750.5437 2065.4706 1962.8115 104.1360 -206607.0652 17922.1758 0.0000 0.0000 34217.7791 -149584.1484 298.8324 -183801.9275 -149489.3798 298.8388 0.9945 33.1049 557245.3864 11.7719 11.8024 PRESSURE: 943200 -133.008 -123.202 107.509 -123.202 -308.311 173.179 107.509 173.178 -3.28646 GPRESSURE: 943200 -128.811 -188.384 36.0588 -159.403 -277.638 107.017 181.054 195.139 70.4052 PRESSAVG: 943200 10.8543 -14.7122 -3.98927 -14.7122 24.7422 51.1411 -3.98929 51.141 -13.6043 GPRESSAVG: 943200 10.8809 -14.9071 -7.29692 -16.1003 24.1225 49.6419 -6.13014 52.6974 -12.7414 TIMING: 943200 CPU: 2739.23, 0.00290267/step Wall: 2739.23, 0.00290267/step, 3.27099 hours remaining, 205.441406 MB of memory in use. ENERGY: 943200 717.8225 2080.5217 1940.8665 113.9555 -206119.0374 17647.1639 0.0000 0.0000 34217.8198 -149400.8876 298.8327 -183618.7074 -149306.0373 298.7138 -148.2021 -112.0147 558140.0481 7.3307 7.4207 PRESSURE: 943400 -30.7467 22.4463 190.446 22.4455 -237.356 137.137 190.446 137.138 -253.579 GPRESSURE: 943400 12.5318 117.225 180.482 -19.4221 -224.605 116.299 222.527 133.643 -200.258 PRESSAVG: 943400 10.8383 -3.99881 41.4137 -3.99876 -31.9919 54.5299 41.4137 54.5298 13.2219 GPRESSAVG: 943400 11.423 -4.73306 40.688 -2.12411 -31.1591 53.6437 43.7525 54.4025 11.7334 TIMING: 943400 CPU: 2739.81, 0.00289047/step Wall: 2739.81, 0.00289047/step, 3.25708 hours remaining, 205.441406 MB of memory in use. ENERGY: 943400 757.8950 2116.9121 1963.7292 118.0386 -205826.0756 17452.6043 0.0000 0.0000 34025.1436 -149391.7527 297.1500 -183416.8963 -149299.1057 298.2002 -173.8941 -137.4436 558401.4832 -2.6439 -2.6676 PRESSURE: 943600 -214.56 -122.161 -100.543 -122.16 -68.6216 126.583 -100.543 126.583 -96.4325 GPRESSURE: 943600 -195.421 -123.667 11.4852 -120.683 -51.145 48.1061 -106.064 160.579 -43.0053 PRESSAVG: 943600 -18.6488 39.0398 34.7541 39.0399 15.9439 49.81 34.754 49.8099 -26.1676 GPRESSAVG: 943600 -19.1236 37.858 38.3914 39.8851 16.1124 50.4894 35.263 49.8503 -25.5924 TIMING: 943600 CPU: 2740.39, 0.0029011/step Wall: 2740.39, 0.0029011/step, 3.2689 hours remaining, 205.441406 MB of memory in use. ENERGY: 943600 793.5746 2088.1505 1971.1702 113.8796 -206301.7070 17886.9969 0.0000 0.0000 34113.2416 -149334.6936 297.9194 -183447.9352 -149233.9390 298.2383 -126.5382 -96.5236 558642.2541 -9.6242 -9.5345 PRESSURE: 943800 46.9052 69.3243 -43.6796 69.3248 154.082 71.7552 -43.679 71.7559 104.147 GPRESSURE: 943800 135.792 64.0718 -129.051 52.277 140.082 99.0176 35.8944 23.487 121.161 PRESSAVG: 943800 -74.9289 2.608 10.3916 2.60794 60.8954 9.6996 10.3916 9.69951 30.5936 GPRESSAVG: 943800 -74.9037 2.67654 8.28998 1.90541 60.8913 10.5722 10.2005 10.3325 30.1145 TIMING: 943800 CPU: 2740.97, 0.00290598/step Wall: 2740.97, 0.00290598/step, 3.27423 hours remaining, 205.441406 MB of memory in use. ENERGY: 943800 706.8165 2128.8794 1959.4939 114.4343 -206171.6889 17908.8276 0.0000 0.0000 34081.6052 -149271.6319 297.6431 -183353.2371 -149175.9325 298.8836 101.7113 132.3451 557467.1093 5.5200 5.3674 PRESSURE: 944000 -135.124 -52.3404 207.683 -52.3405 116.211 27.4875 207.683 27.4885 162.735 GPRESSURE: 944000 -157.157 33.3389 109.746 -102.501 138.63 104.06 205.845 120.572 263.688 PRESSAVG: 944000 -80.2474 -16.6585 33.0025 -16.6584 48.0429 -16.825 33.0025 -16.8249 82.7332 GPRESSAVG: 944000 -79.7353 -16.0801 34.6721 -15.3339 47.3188 -19.4605 30.611 -16.5189 82.879 TIMING: 944000 CPU: 2741.55, 0.00290052/step Wall: 2741.55, 0.00290052/step, 3.26792 hours remaining, 205.441406 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: 944000 738.2962 2072.2104 1986.0150 114.4102 -206188.6032 17766.7967 0.0000 0.0000 34235.3237 -149275.5510 298.9856 -183510.8747 -149182.1049 299.1726 47.9407 81.7201 556816.4593 16.8429 16.8208 PRESSURE: 944200 -91.2849 33.4304 82.775 33.4291 149.585 11.8267 82.7749 11.8278 -18.062 GPRESSURE: 944200 -95.8555 34.2307 28.6288 16.1526 191.577 60.8343 113.772 -30.4874 35.6643 PRESSAVG: 944200 -73.9439 8.66464 14.8984 8.66462 -12.8314 -8.95939 14.8984 -8.95935 49.3546 GPRESSAVG: 944200 -73.8568 11.3774 13.4158 6.35808 -12.93 -8.99685 15.845 -9.1058 49.7549 TIMING: 944200 CPU: 2742.13, 0.00290227/step Wall: 2742.13, 0.00290227/step, 3.26973 hours remaining, 205.441406 MB of memory in use. ENERGY: 944200 735.7836 2126.2184 1953.3231 109.3266 -206386.7209 17926.6506 0.0000 0.0000 34283.4113 -149252.0073 299.4056 -183535.4186 -149154.2399 299.3334 13.4126 43.7954 556944.9805 -12.4736 -12.3440 LDB: ============= START OF LOAD BALANCING ============== 2745.6 LDB: ============== END OF LOAD BALANCING =============== 2745.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2745.6 LDB: ============= START OF LOAD BALANCING ============== 2745.89 LDB: Largest compute 4827 load 0.025893 is 22.0% of average load 0.117649 LDB: Average compute 0.001734 is 1.5% of average load 0.117649 LDB: TIME 2745.89 LOAD: AVG 0.117649 MAX 0.180281 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.027 MB LDB: TIME 2745.89 LOAD: AVG 0.117649 MAX 0.180281 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.09 MB LDB: TIME 2745.89 LOAD: AVG 0.117649 MAX 0.180281 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2745.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2745.9 PRESSURE: 944400 -47.3515 131.536 144.833 131.535 143.237 117.459 144.833 117.457 220.128 GPRESSURE: 944400 8.51274 119.872 55.4222 121.092 166.112 189.222 170.554 72.357 234.135 PRESSAVG: 944400 -34.1369 -18.5009 77.1866 -18.5008 -24.4814 18.9216 77.1866 18.9216 64.0484 GPRESSAVG: 944400 -33.6406 -19.3992 77.5232 -19.3537 -23.6459 21.6436 76.9264 15.8401 63.6635 TIMING: 944400 CPU: 2742.72, 0.00294934/step Wall: 2742.72, 0.00294934/step, 3.32259 hours remaining, 205.511719 MB of memory in use. ENERGY: 944400 690.2787 2076.2115 1954.9718 122.3545 -206528.8340 17987.9431 0.0000 0.0000 34434.6567 -149262.4177 300.7264 -183697.0745 -149162.0370 299.4169 105.3376 136.2530 556908.0185 1.8100 2.1257 PRESSURE: 944600 -47.7278 -30.9286 -64.4398 -30.93 265.469 -86.9017 -64.4403 -86.9028 131.224 GPRESSURE: 944600 -23.0306 -74.1652 -72.7805 -95.1621 252.877 34.1651 -23.8457 -226.218 220.965 PRESSAVG: 944600 -0.893489 -20.5948 27.114 -20.5947 -54.2352 -15.0952 27.114 -15.0952 47.0814 GPRESSAVG: 944600 -0.0826148 -21.2148 24.4114 -20.4867 -55.2134 -16.8211 28.4689 -13.9404 47.0733 TIMING: 944600 CPU: 2743.3, 0.00288767/step Wall: 2743.3, 0.00288767/step, 3.25296 hours remaining, 205.511719 MB of memory in use. ENERGY: 944600 693.4576 2072.3579 1975.0709 113.2286 -206127.5445 17788.7354 0.0000 0.0000 34215.0630 -149269.6311 298.8087 -183484.6941 -149176.9355 298.8803 116.3216 150.2705 556011.7672 -2.6824 -2.7409 PRESSURE: 944800 310.251 33.8385 21.9379 33.839 -125.393 210.21 21.9386 210.211 -175.183 GPRESSURE: 944800 318.545 48.7821 31.2518 -19.291 -124.44 135.305 92.6096 148.883 -80.5245 PRESSAVG: 944800 18.2642 17.8251 -22.6622 17.8251 2.34402 43.4182 -22.6622 43.4184 12.4704 GPRESSAVG: 944800 17.2045 17.8837 -19.5559 16.0139 2.29604 44.1546 -23.2891 45.0205 12.8598 TIMING: 944800 CPU: 2743.88, 0.00288949/step Wall: 2743.88, 0.00288949/step, 3.25484 hours remaining, 205.609375 MB of memory in use. ENERGY: 944800 745.0515 2103.9166 1942.2010 114.7392 -206119.1461 17751.6052 0.0000 0.0000 34200.8224 -149260.8103 298.6843 -183461.6327 -149164.2493 299.1688 3.2251 37.8603 556840.5456 11.0262 10.7868 PRESSURE: 945000 -317.192 57.5642 -9.81199 57.564 -287.543 -9.49151 -9.81064 -9.49122 -230.615 GPRESSURE: 945000 -326.265 27.6839 -50.993 28.0934 -236.313 89.7944 63.4619 63.0908 -176.352 PRESSAVG: 945000 -8.865 -2.20167 47.2949 -2.20168 -6.38562 14.1267 47.295 14.1267 7.21501 GPRESSAVG: 945000 -8.98882 -2.76549 48.5593 2.1352 -6.16254 13.356 47.1005 13.6594 6.30308 TIMING: 945000 CPU: 2744.46, 0.00289833/step Wall: 2744.46, 0.00289833/step, 3.26465 hours remaining, 205.609375 MB of memory in use. ENERGY: 945000 757.1445 2091.9554 1954.0608 104.9567 -205968.3142 17433.7077 0.0000 0.0000 34309.8372 -149316.6519 299.6363 -183626.4891 -149218.5118 299.3586 -278.4502 -246.3099 557663.3891 -2.6785 -2.9494 PRESSURE: 945200 216.884 -26.9421 -17.9988 -26.9412 166.234 61.0436 -17.9975 61.0424 62.3474 GPRESSURE: 945200 270.032 22.6214 40.4433 -36.3151 182.353 41.2496 -51.0754 25.4993 74.1407 PRESSAVG: 945200 -15.437 -43.7327 69.2432 -43.7326 -6.78789 19.2999 69.2432 19.2998 1.87966 GPRESSAVG: 945200 -15.8946 -43.8512 68.9713 -45.0744 -7.45754 18.5549 66.791 20.375 2.41286 TIMING: 945200 CPU: 2745.03, 0.0028916/step Wall: 2745.03, 0.0028916/step, 3.25691 hours remaining, 205.671875 MB of memory in use. ENERGY: 945200 757.1080 2119.3052 1962.3218 119.9757 -206619.6909 18164.3232 0.0000 0.0000 34194.9654 -149301.6917 298.6331 -183496.6571 -149207.8061 299.7215 148.4884 175.5085 557203.3851 -6.7818 -6.9797 PRESSURE: 945400 -84.7459 108.542 32.1396 108.54 -252.442 73.1297 32.1407 73.1289 -130.393 GPRESSURE: 945400 -73.6529 125.107 -9.959 104.445 -202.632 -9.15819 -24.2983 102.61 -80.5645 PRESSAVG: 945400 -68.6957 29.2134 -18.8694 29.2133 30.39 52.374 -18.8694 52.374 2.47797 GPRESSAVG: 945400 -68.7112 30.7878 -20.4769 29.6944 30.395 52.3453 -17.7833 51.6459 2.35686 TIMING: 945400 CPU: 2745.61, 0.0028913/step Wall: 2745.61, 0.0028913/step, 3.25641 hours remaining, 205.757812 MB of memory in use. ENERGY: 945400 765.9768 2055.8325 1955.6680 109.8552 -205883.1318 17513.7012 0.0000 0.0000 34220.6814 -149261.4168 298.8577 -183482.0982 -149159.4883 298.7101 -155.8602 -118.9498 558718.0191 -11.9426 -11.9865 PRESSURE: 945600 -12.7059 -84.5891 -139.904 -84.5901 12.5823 -18.2388 -139.905 -18.2383 -29.9019 GPRESSURE: 945600 4.49216 -25.9855 -149.728 -89.2556 49.4061 44.2196 -125.263 -107.888 11.8651 PRESSAVG: 945600 19.0978 51.6799 35.9634 51.6799 -1.42918 -13.8814 35.9634 -13.8815 27.5753 GPRESSAVG: 945600 19.6013 50.6717 36.6899 51.4958 -1.18736 -12.6425 37.2365 -15.1101 27.2629 TIMING: 945600 CPU: 2746.19, 0.00288929/step Wall: 2746.19, 0.00288929/step, 3.25398 hours remaining, 205.757812 MB of memory in use. ENERGY: 945600 733.3060 2055.9280 1963.3277 109.4196 -206186.4916 17816.6448 0.0000 0.0000 34135.3357 -149372.5298 298.1124 -183507.8654 -149270.5295 298.7950 -10.0085 21.9211 557771.2096 15.0813 15.2256 PRESSURE: 945800 0.208901 -33.3235 33.0208 -33.3238 -104.047 -90.2715 33.0205 -90.2707 55.3213 GPRESSURE: 945800 13.1627 -76.1479 41.4701 -36.5555 -100.431 -73.3496 51.4875 -95.6691 142.447 PRESSAVG: 945800 -18.9585 -57.2951 -16.0794 -57.295 -18.0181 -19.2177 -16.0793 -19.2177 76.507 GPRESSAVG: 945800 -20.2493 -57.7264 -18.3714 -55.8588 -17.3111 -20.4866 -14.8644 -17.0926 77.2048 TIMING: 945800 CPU: 2746.76, 0.00287522/step Wall: 2746.76, 0.00287522/step, 3.23797 hours remaining, 205.757812 MB of memory in use. ENERGY: 945800 721.4978 2073.7120 1965.1110 114.0832 -206567.3353 17945.3930 0.0000 0.0000 34415.4733 -149332.0651 300.5589 -183747.5384 -149230.9690 298.7816 -16.1724 18.3932 557358.8892 13.1768 13.2148 PRESSURE: 946000 51.139 -53.4095 -93.1964 -53.4085 -188.155 21.1675 -93.1966 21.1683 32.7833 GPRESSURE: 946000 105.867 -173.838 -116.328 -33.2713 -232.101 4.68626 -77.9777 -60.5494 118.344 PRESSAVG: 946000 -72.807 -6.3528 10.3378 -6.35279 19.2323 42.0902 10.3378 42.0902 82.2031 GPRESSAVG: 946000 -71.1354 -6.23151 11.9023 -8.43665 17.7696 42.3382 7.67842 40.5521 81.4326 TIMING: 946000 CPU: 2747.34, 0.00289542/step Wall: 2747.34, 0.00289542/step, 3.26056 hours remaining, 205.757812 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: 946000 720.3107 2115.8235 1957.2897 95.8488 -206121.6934 17760.5669 0.0000 0.0000 34212.3206 -149259.5333 298.7847 -183471.8539 -149168.4896 298.6982 -34.7442 -2.6298 556838.6306 9.5428 9.3556 PRESSURE: 946200 37.9822 21.7331 -53.1263 21.732 -79.1047 58.7202 -53.1269 58.7197 -3.22006 GPRESSURE: 946200 105.439 -109.777 -47.4188 93.1641 -109.484 152.96 -91.1764 17.1231 43.3706 PRESSAVG: 946200 29.1978 12.6135 5.76462 12.6135 -38.4716 -19.2476 5.76467 -19.2476 -13.9821 GPRESSAVG: 946200 28.8716 15.6218 5.48338 13.6469 -38.0181 -18.9695 6.1616 -20.0481 -14.0089 TIMING: 946200 CPU: 2747.92, 0.00286512/step Wall: 2747.92, 0.00286512/step, 3.22628 hours remaining, 205.757812 MB of memory in use. ENERGY: 946200 749.9971 2052.7039 1937.9002 110.4318 -205972.2490 17693.3136 0.0000 0.0000 34199.8959 -149228.0065 298.6762 -183427.9025 -149137.1889 299.1469 -14.7809 13.1087 558446.7823 -7.7520 -7.7185 PRESSURE: 946400 -82.9186 228.955 -71.4909 228.953 -233.67 33.1446 -71.4915 33.143 -124.203 GPRESSURE: 946400 -72.9225 231.229 -118.796 263.595 -203.024 36.6135 -36.8503 83.0927 -71.9767 PRESSAVG: 946400 -78.0239 62.8149 15.0635 62.8148 19.3727 23.6292 15.0636 23.6293 80.1643 GPRESSAVG: 946400 -79.4222 61.267 15.9211 61.7457 19.6594 24.5023 15.9895 24.4048 81.307 TIMING: 946400 CPU: 2748.49, 0.0028757/step Wall: 2748.49, 0.0028757/step, 3.23804 hours remaining, 205.757812 MB of memory in use. ENERGY: 946400 748.5137 2072.3169 1985.3048 119.9506 -206425.0512 17889.3440 0.0000 0.0000 34307.3531 -149302.2680 299.6146 -183609.6211 -149208.8340 298.7437 -146.9306 -115.9745 557655.1747 7.1710 7.1814 PRESSURE: 946600 160.457 46.1017 -27.0144 46.1005 137.26 67.2224 -27.0132 67.2213 -138.581 GPRESSURE: 946600 171.667 -20.002 -34.9197 106.833 158.02 97.2659 -38.5597 126.772 -70.1714 PRESSAVG: 946600 -72.9781 41.4261 -16.1073 41.4261 6.7698 13.7772 -16.1073 13.7772 74.4815 GPRESSAVG: 946600 -71.1405 40.7552 -18.6026 43.0505 6.00146 13.6385 -13.6809 12.4093 72.8546 TIMING: 946600 CPU: 2749.07, 0.00289159/step Wall: 2749.07, 0.00289159/step, 3.25577 hours remaining, 205.757812 MB of memory in use. ENERGY: 946600 741.4250 2085.0044 1988.0724 119.4829 -206261.2726 17920.2124 0.0000 0.0000 34146.6376 -149260.4379 298.2111 -183407.0756 -149157.2542 299.4604 53.0454 86.5051 557653.4135 2.7578 2.5719 PRESSURE: 946800 154.589 9.03735 32.5948 9.03676 -2.12499 -24.8799 32.5957 -24.8795 113.142 GPRESSURE: 946800 173.775 -89.8056 -48.4612 72.2795 -14.6484 10.067 49.6342 -71.2416 189.295 PRESSAVG: 946800 24.3869 67.8428 -7.14156 67.8428 -38.7922 46.6767 -7.14153 46.6766 11.4732 GPRESSAVG: 946800 23.6121 66.3353 -6.38307 67.0867 -38.0269 47.2254 -8.88337 47.2727 11.1999 TIMING: 946800 CPU: 2749.65, 0.00289053/step Wall: 2749.65, 0.00289053/step, 3.25441 hours remaining, 205.757812 MB of memory in use. ENERGY: 946800 720.8882 2138.2585 1955.4543 119.0114 -206467.2905 17929.1183 0.0000 0.0000 34227.5342 -149377.0257 298.9176 -183604.5599 -149274.9875 299.0255 88.5354 116.1406 556638.8242 -0.9774 -1.0716 PRESSURE: 947000 -415.899 -176.29 -81.1664 -176.29 -243.471 39.9073 -81.1654 39.9055 -169.572 GPRESSURE: 947000 -323.744 -132.118 -35.9349 -111.147 -184.989 64.0101 -187.92 -18.06 -210.453 PRESSAVG: 947000 31.082 -26.7751 19.8086 -26.775 -47.5294 32.5403 19.8085 32.5404 30.0941 GPRESSAVG: 947000 30.4388 -24.6012 23.2018 -25.2657 -47.0197 31.4348 17.4785 32.4229 29.6636 TIMING: 947000 CPU: 2750.23, 0.00289312/step Wall: 2750.23, 0.00289312/step, 3.25717 hours remaining, 205.757812 MB of memory in use. ENERGY: 947000 769.5875 2086.8006 1974.6724 114.6974 -206156.5887 17646.5068 0.0000 0.0000 34165.1797 -149399.1445 298.3730 -183564.3241 -149307.1614 297.9266 -276.3140 -239.7287 558253.9807 4.5489 4.3609 PRESSURE: 947200 -142.978 132.989 -164.933 132.989 -78.7735 5.88662 -164.932 5.8881 -337.437 GPRESSURE: 947200 -97.6686 43.5693 -145.943 155.508 -93.6522 -57.2788 -18.6388 120.273 -263.554 PRESSAVG: 947200 -12.1423 -1.50081 -22.4553 -1.5007 -85.7824 21.1108 -22.4553 21.1109 80.9941 GPRESSAVG: 947200 -11.7338 -3.80233 -25.7873 -1.32503 -86.6998 18.1243 -19.2011 24.1848 81.5768 TIMING: 947200 CPU: 2750.81, 0.00290371/step Wall: 2750.81, 0.00290371/step, 3.26893 hours remaining, 205.757812 MB of memory in use. ENERGY: 947200 751.1281 2090.3165 1987.2016 116.0766 -205960.3963 17553.1763 0.0000 0.0000 34032.2082 -149430.2890 297.2117 -183462.4972 -149326.8144 298.0140 -186.3963 -151.6248 558433.8817 -5.6435 -5.6189 PRESSURE: 947400 -168.495 -4.10537 -54.3878 -4.10459 -66.0453 91.0817 -54.3885 91.0813 -143.307 GPRESSURE: 947400 -96.9078 -27.8157 -94.4285 -19.0204 -58.5532 47.1775 23.9092 107.563 -130.912 PRESSAVG: 947400 -23.6204 11.4697 -10.7576 11.4696 -11.4445 20.7571 -10.7575 20.757 16.8452 GPRESSAVG: 947400 -23.7318 11.9982 -9.04264 11.0741 -10.6485 24.5185 -11.8904 17.2855 16.1087 TIMING: 947400 CPU: 2751.38, 0.00288513/step Wall: 2751.38, 0.00288513/step, 3.24786 hours remaining, 205.757812 MB of memory in use. ENERGY: 947400 759.3905 2115.0703 1962.4659 115.4087 -206306.3660 17851.1507 0.0000 0.0000 34121.7695 -149381.1105 297.9939 -183502.8799 -149282.5785 297.7479 -125.9492 -95.4576 558839.3755 -6.0732 -6.0905 PRESSURE: 947600 38.743 -112.88 4.98565 -112.879 47.4772 -22.087 4.98559 -22.0858 41.8175 GPRESSURE: 947600 57.8828 -19.2445 5.25681 -150.187 117.348 -56.0078 96.6463 37.3056 73.646 PRESSAVG: 947600 15.0832 1.59673 12.8431 1.5967 21.6808 31.3255 12.8431 31.3256 19.9429 GPRESSAVG: 947600 14.4132 2.284 12.7823 1.21756 21.0921 30.758 13.5181 33.432 20.9757 TIMING: 947600 CPU: 2751.96, 0.00288192/step Wall: 2751.96, 0.00288192/step, 3.24408 hours remaining, 205.757812 MB of memory in use. ENERGY: 947600 657.4792 2083.0174 1967.7056 112.5467 -206563.6013 17956.7776 0.0000 0.0000 34416.6627 -149369.4121 300.5693 -183786.0749 -149267.5926 298.7175 42.6792 82.9590 557466.3532 18.9023 18.8270 PRESSURE: 947800 92.786 5.94586 -82.4065 5.94499 144.541 -36.7419 -82.4069 -36.7409 148.698 GPRESSURE: 947800 169.901 -68.1619 -73.5838 27.8712 179.769 -56.3533 -53.257 -22.2069 143.686 PRESSAVG: 947800 29.5336 34.6141 -65.0849 34.6139 -27.2978 32.1359 -65.0848 32.136 -19.6343 GPRESSAVG: 947800 31.1234 36.6268 -65.4965 32.2676 -28.4679 31.9095 -63.7457 30.2935 -19.4158 TIMING: 947800 CPU: 2752.54, 0.0028956/step Wall: 2752.54, 0.0028956/step, 3.25932 hours remaining, 205.757812 MB of memory in use. ENERGY: 947800 721.8776 2117.8227 1936.3994 122.2886 -206377.1529 17903.4959 0.0000 0.0000 34081.8793 -149493.3894 297.6455 -183575.2687 -149401.5342 298.7830 128.6747 164.4520 556298.8461 -5.7995 -5.5868 PRESSURE: 948000 -318.375 -152.047 -70.9983 -152.046 155.367 -73.3169 -71 -73.3192 72.5766 GPRESSURE: 948000 -297.445 -44.8075 -79.2932 -225.574 164.629 -144.686 -51.4885 -59.5571 140.587 PRESSAVG: 948000 -22.8922 -30.5098 -36.4155 -30.5098 23.1666 -18.2864 -36.4155 -18.2863 5.3788 GPRESSAVG: 948000 -24.0565 -32.3913 -36.327 -28.5708 23.3686 -18.9322 -37.1791 -18.5079 5.76231 TIMING: 948000 CPU: 2753.12, 0.0029167/step Wall: 2753.12, 0.0029167/step, 3.28291 hours remaining, 205.757812 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: 948000 749.3462 2097.8154 1968.8241 108.7239 -205906.2152 17626.3857 0.0000 0.0000 33970.0940 -149385.0260 296.6693 -183355.1200 -149282.7988 298.2093 -30.1440 2.5905 557293.7846 1.8844 1.6915 PRESSURE: 948200 -45.278 -1.47178 161.292 -1.47133 -60.2822 -102.397 161.292 -102.399 45.0601 GPRESSURE: 948200 -2.52495 -23.945 125.271 16.7648 -32.851 -33.3884 212.077 -84.4955 66.4589 PRESSAVG: 948200 -26.4569 -3.84148 18.9062 -3.84146 15.3469 -40.7023 18.9063 -40.7023 56.4809 GPRESSAVG: 948200 -26.2658 -3.65445 18.1977 -5.05184 16.3955 -39.7881 17.7841 -40.7404 55.5031 TIMING: 948200 CPU: 2753.71, 0.00292483/step Wall: 2753.71, 0.00292483/step, 3.2919 hours remaining, 205.757812 MB of memory in use. ENERGY: 948200 768.8662 2119.1083 1973.5633 107.1648 -206344.9152 17819.2948 0.0000 0.0000 34209.6191 -149347.2986 298.7611 -183556.9177 -149250.1896 298.5132 -20.1667 10.3610 556186.0807 15.1236 15.2109 LDB: ============= START OF LOAD BALANCING ============== 2757.18 LDB: ============== END OF LOAD BALANCING =============== 2757.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2757.18 LDB: ============= START OF LOAD BALANCING ============== 2757.47 LDB: Largest compute 4820 load 0.027215 is 23.1% of average load 0.117588 LDB: Average compute 0.001737 is 1.5% of average load 0.117588 LDB: TIME 2757.47 LOAD: AVG 0.117588 MAX 0.180272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.406 MB LDB: TIME 2757.47 LOAD: AVG 0.117588 MAX 0.180272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: TIME 2757.47 LOAD: AVG 0.117588 MAX 0.180272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2757.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2757.48 PRESSURE: 948400 -65.7816 0.953996 86.0427 0.954056 -81.2374 -110.12 86.0439 -110.119 118.415 GPRESSURE: 948400 20.1114 9.8731 55.9839 -28.1002 -61.3825 -34.725 99.0793 -145.435 102.163 PRESSAVG: 948400 -61.0768 -16.1211 28.4761 -16.1211 -22.9857 -21.6686 28.4762 -21.6687 55.4242 GPRESSAVG: 948400 -61.1826 -15.6347 29.4956 -14.3228 -23.2232 -24.8066 27.3756 -20.363 56.152 TIMING: 948400 CPU: 2754.3, 0.00297585/step Wall: 2754.3, 0.00297585/step, 3.34915 hours remaining, 203.476562 MB of memory in use. ENERGY: 948400 759.5835 2061.6473 1955.5276 114.8952 -206233.7233 17809.7044 0.0000 0.0000 34049.0366 -149483.3287 297.3587 -183532.3654 -149396.2893 299.0221 -9.5346 20.2972 556640.3127 -9.5461 -9.4179 PRESSURE: 948600 -82.4219 1.46368 41.2346 1.46338 -149.271 -141.719 41.234 -141.717 78.3583 GPRESSURE: 948600 -36.7389 97.5628 97.6177 -147.653 -166.648 -118.843 38.6691 -131.194 142.501 PRESSAVG: 948600 -28.8964 24.0768 2.07077 24.0768 50.82 -42.3215 2.07085 -42.3216 -13.5041 GPRESSAVG: 948600 -29.571 22.9077 1.18617 23.0675 49.7574 -40.99 4.41682 -43.3695 -11.7668 TIMING: 948600 CPU: 2754.88, 0.00289446/step Wall: 2754.88, 0.00289446/step, 3.25739 hours remaining, 203.476562 MB of memory in use. ENERGY: 948600 730.3585 2054.9011 1970.6746 121.0227 -206234.3876 17636.9889 0.0000 0.0000 34247.7558 -149472.6861 299.0942 -183720.4419 -149379.0945 298.6146 -51.1114 -20.2952 557174.5458 2.8065 2.8065 PRESSURE: 948800 -147.786 -74.2003 45.994 -74.2003 -202.383 122.221 45.9939 122.219 -292.024 GPRESSURE: 948800 -102.579 -95.0941 26.6162 -85.4187 -201.908 104.002 67.3732 86.56 -230.341 PRESSAVG: 948800 -8.2602 -10.952 -31.3449 -10.952 9.2758 -40.5887 -31.345 -40.5888 23.478 GPRESSAVG: 948800 -8.02176 -9.84064 -30.6668 -10.1755 11.2344 -41.6075 -33.2158 -38.4733 21.5252 TIMING: 948800 CPU: 2755.46, 0.00288475/step Wall: 2755.46, 0.00288475/step, 3.2463 hours remaining, 203.476562 MB of memory in use. ENERGY: 948800 729.1533 2080.5561 1965.4670 113.8564 -206199.4307 17563.8293 0.0000 0.0000 34278.8908 -149467.6779 299.3661 -183746.5687 -149376.2920 298.7682 -214.0644 -178.2761 557376.5785 8.1645 8.2459 PRESSURE: 949000 -2.94134 -131.938 -101.926 -131.938 57.2286 57.7179 -101.926 57.7174 -321.112 GPRESSURE: 949000 21.2889 -178.711 -74.475 -56.4234 116.249 96.4378 -88.7537 104.48 -305.984 PRESSAVG: 949000 13.2702 -55.3516 -6.31718 -55.3516 27.8273 -0.0620728 -6.31723 -0.0621231 -17.9673 GPRESSAVG: 949000 14.0837 -55.8218 -7.1437 -55.1221 26.9511 0.140689 -6.11654 -1.57647 -17.6477 TIMING: 949000 CPU: 2756.04, 0.00289429/step Wall: 2756.04, 0.00289429/step, 3.25688 hours remaining, 203.476562 MB of memory in use. ENERGY: 949000 714.5288 2089.5728 1952.8492 103.7018 -206438.4750 17796.7420 0.0000 0.0000 34095.5111 -149685.5693 297.7646 -183781.0804 -149590.4853 298.7781 -88.9417 -56.1488 557431.9185 7.7101 7.7957 PRESSURE: 949200 124.017 97.4248 90.2289 97.4253 238.2 -142.163 90.2276 -142.162 141.698 GPRESSURE: 949200 166.75 79.9755 143.351 78.0909 227.283 -168.496 81.4471 -127.188 203.138 PRESSAVG: 949200 -17.1837 -28.5032 -17.9098 -28.5031 49.1965 -10.4426 -17.9098 -10.4425 -28.1928 GPRESSAVG: 949200 -16.5126 -27.8113 -17.6475 -28.4208 47.8498 -8.09172 -17.1177 -10.941 -27.3909 TIMING: 949200 CPU: 2756.62, 0.00291625/step Wall: 2756.62, 0.00291625/step, 3.28143 hours remaining, 203.476562 MB of memory in use. ENERGY: 949200 710.5787 2060.0565 1975.0674 115.8750 -206430.8232 17978.2383 0.0000 0.0000 34184.5170 -149406.4903 298.5419 -183591.0073 -149315.3797 297.8375 167.9716 199.0569 555789.7037 1.2733 1.3154 PRESSURE: 949400 285.139 -33.9802 10.3044 -33.9804 158.68 -25.9837 10.3047 -25.9819 41.6425 GPRESSURE: 949400 294.394 -34.5876 56.7718 -74.7609 239.219 11.0416 51.6181 -56.3453 44.3685 PRESSAVG: 949400 20.5607 -49.4718 -23.262 -49.4719 14.6943 26.9849 -23.2622 26.9848 -0.00899488 GPRESSAVG: 949400 21.127 -48.6665 -23.1609 -49.8933 15.0512 24.8451 -23.2718 28.6211 -1.0022 TIMING: 949400 CPU: 2757.21, 0.0029199/step Wall: 2757.21, 0.0029199/step, 3.28537 hours remaining, 203.476562 MB of memory in use. ENERGY: 949400 729.7993 2061.7489 1982.4501 108.9171 -206884.1962 18208.7537 0.0000 0.0000 34250.0035 -149542.5235 299.1138 -183792.5271 -149439.8233 298.8048 161.8207 192.6606 558058.4197 11.7487 11.7253 PRESSURE: 949600 9.76137 -190.047 -169.238 -190.046 -44.005 125.553 -169.24 125.553 -42.4348 GPRESSURE: 949600 8.6435 -93.8243 -158.198 -230.466 30.2886 139.548 -173.634 120.521 -17.4093 PRESSAVG: 949600 -12.0582 -56.5172 -12.2498 -56.5173 60.7423 19.3425 -12.2498 19.3426 -0.599371 GPRESSAVG: 949600 -12.3333 -57.5087 -12.4027 -54.5328 60.7762 20.9127 -12.5287 18.1808 -0.418279 TIMING: 949600 CPU: 2757.79, 0.00291826/step Wall: 2757.79, 0.00291827/step, 3.28337 hours remaining, 203.476562 MB of memory in use. ENERGY: 949600 750.5398 2089.0707 1951.2666 119.9173 -206764.3575 17906.8182 0.0000 0.0000 34519.9986 -149426.7464 301.4717 -183946.7450 -149331.9270 298.1422 -25.5595 7.1743 558016.5738 16.0282 16.0082 PRESSURE: 949800 -30.5738 -176.097 19.4941 -176.098 -19.5087 181.412 19.4948 181.413 -191.873 GPRESSURE: 949800 -13.1604 -112.358 45.3263 -147.864 34.8723 165.171 60.8214 120.168 -165.788 PRESSAVG: 949800 -2.01792 7.12196 -37.7107 7.12198 11.3644 36.7626 -37.7107 36.7626 6.30254 GPRESSAVG: 949800 -1.94564 6.83421 -35.4387 7.56614 12.2953 36.3319 -37.4807 36.3152 5.1014 TIMING: 949800 CPU: 2758.38, 0.00293065/step Wall: 2758.38, 0.00293065/step, 3.29714 hours remaining, 203.476562 MB of memory in use. ENERGY: 949800 748.9701 2118.0398 1972.7751 113.4800 -206742.5323 17928.0569 0.0000 0.0000 34258.5472 -149602.6631 299.1884 -183861.2103 -149496.8773 298.7860 -80.6518 -48.0255 557596.4942 5.2164 5.1504 PRESSURE: 950000 -49.4707 8.92502 143.768 8.92489 26.3829 -99.851 143.769 -99.8518 137.76 GPRESSURE: 950000 28.0899 -32.4928 123.029 -12.6312 28.3648 -82.0941 101.957 -84.6371 149.212 PRESSAVG: 950000 21.3511 14.4339 -52.7918 14.4338 -30.2892 -10.0637 -52.7918 -10.0637 4.24831 GPRESSAVG: 950000 21.3698 13.2385 -53.9646 14.4088 -30.7523 -8.68292 -53.8285 -11.9164 4.17918 TIMING: 950000 CPU: 2758.96, 0.00289971/step Wall: 2758.96, 0.00289971/step, 3.26218 hours remaining, 203.601562 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: 950000 753.8357 2114.0018 1964.6838 114.0238 -206538.5789 17896.5904 0.0000 0.0000 34186.3559 -149509.0875 298.5579 -183695.4435 -149417.6519 299.2376 38.2241 68.5555 556998.1631 -1.5633 -1.7345 PRESSURE: 950200 -210.817 -86.5279 48.9499 -86.5282 205.906 68.5252 48.949 68.5252 -110.952 GPRESSURE: 950200 -150.701 -70.4798 -9.04533 -83.8065 211.358 109.789 56.4871 70.8546 -74.0213 PRESSAVG: 950200 -0.467006 8.38901 44.4925 8.38892 19.0842 113.613 44.4924 113.613 -4.71377 GPRESSAVG: 950200 0.773638 11.4749 44.3542 5.78033 18.9988 112.617 45.449 115.772 -5.77006 TIMING: 950200 CPU: 2759.53, 0.00288637/step Wall: 2759.53, 0.00288637/step, 3.247 hours remaining, 203.601562 MB of memory in use. ENERGY: 950200 740.1327 2080.2686 1954.3746 108.3506 -206361.3952 17651.0468 0.0000 0.0000 34256.5900 -149570.6319 299.1713 -183827.2220 -149468.1472 298.6977 -38.6210 -4.4548 556282.6576 4.6345 4.6675 PRESSURE: 950400 166.033 -84.1405 -156.064 -84.1406 43.1528 -78.8804 -156.064 -78.8802 -15.858 GPRESSURE: 950400 162.818 -90.4552 -215.692 -213.34 171.014 2.37776 -167.866 5.4957 -27.0729 PRESSAVG: 950400 11.9384 -27.8263 15.6029 -27.8263 28.4521 7.46323 15.6029 7.46317 8.45996 GPRESSAVG: 950400 11.2876 -31.3065 14.2819 -24.9623 28.0596 6.7274 15.9939 8.5812 9.52088 TIMING: 950400 CPU: 2760.11, 0.00288643/step Wall: 2760.11, 0.00288643/step, 3.24691 hours remaining, 203.601562 MB of memory in use. ENERGY: 950400 762.7057 2085.9038 1947.2717 111.1864 -206946.2401 18077.9606 0.0000 0.0000 34338.0153 -149623.1965 299.8824 -183961.2118 -149532.9639 298.1945 64.4425 102.2530 555438.4114 16.2835 16.2894 PRESSURE: 950600 -265.153 -155.224 44.87 -155.224 -23.0162 -56.8045 44.8712 -56.8038 66.2604 GPRESSURE: 950600 -265.075 -90.365 106.612 -245.135 -15.3046 -59.0719 42.851 -57.0926 154.72 PRESSAVG: 950600 -13.4441 -110.663 -8.99432 -110.663 8.79856 -15.8068 -8.99431 -15.8069 -4.04508 GPRESSAVG: 950600 -13.8742 -108.828 -8.73711 -113.804 8.78902 -15.3257 -8.97641 -18.131 -3.76025 TIMING: 950600 CPU: 2760.69, 0.00289034/step Wall: 2760.69, 0.00289034/step, 3.25115 hours remaining, 203.601562 MB of memory in use. ENERGY: 950600 763.6232 2095.3830 1955.0852 111.7084 -206565.7785 17788.3394 0.0000 0.0000 34059.5337 -149792.1055 297.4504 -183851.6393 -149696.1737 297.9198 -73.9697 -41.8863 557513.8805 -2.8969 -2.9485 PRESSURE: 950800 325.455 64.4624 -55.1751 64.4633 170.768 15.5433 -55.1743 15.542 377.767 GPRESSURE: 950800 382.085 -14.7605 13.2778 7.12396 183.787 -53.9195 -70.2491 -8.56808 396.57 PRESSAVG: 950800 -36.4846 -61.5921 47.7881 -61.5922 8.2631 -14.4232 47.7881 -14.4233 23.2124 GPRESSAVG: 950800 -36.984 -62.3567 48.9712 -60.0825 8.57053 -13.4258 46.1658 -13.3894 23.4168 TIMING: 950800 CPU: 2761.27, 0.00289977/step Wall: 2761.27, 0.00289977/step, 3.26159 hours remaining, 203.804688 MB of memory in use. ENERGY: 950800 731.6441 2059.5823 1994.0484 124.1082 -206920.8306 18134.1970 0.0000 0.0000 34232.6166 -149644.6340 298.9620 -183877.2507 -149544.1573 297.7198 291.3301 320.8139 554706.2359 -1.6697 -1.6656 PRESSURE: 951000 119.594 40.2476 55.1467 40.2485 76.8205 4.8516 55.147 4.85095 32.6127 GPRESSURE: 951000 199.538 -3.53368 40.0854 108.581 95.7619 15.0108 14.4701 39.7954 22.2947 PRESSAVG: 951000 56.8135 8.47871 14.0659 8.4787 -52.7118 -6.44285 14.0657 -6.44295 -7.82928 GPRESSAVG: 951000 58.4011 7.66402 14.8858 8.50847 -54.1429 -9.26197 14.3694 -6.01147 -8.02523 TIMING: 951000 CPU: 2761.85, 0.00288778/step Wall: 2761.85, 0.00288778/step, 3.24795 hours remaining, 203.804688 MB of memory in use. ENERGY: 951000 743.4940 2068.9880 1952.0308 114.2818 -206793.4757 18047.7433 0.0000 0.0000 34112.5962 -149754.3416 297.9138 -183866.9378 -149652.2325 298.0368 76.3425 105.8648 556085.6385 -1.2425 -1.2557 PRESSURE: 951200 315.862 -14.7118 -213.796 -14.7127 -148.141 139.878 -213.797 139.877 -239.195 GPRESSURE: 951200 348.25 -80.2676 -203.257 64.2568 -74.8817 167.293 -184.403 42.6793 -245.56 PRESSAVG: 951200 53.736 12.7066 53.5126 12.7065 -32.2133 -60.7108 53.5126 -60.7108 -33.0737 GPRESSAVG: 951200 53.2029 15.5023 51.5415 10.8687 -32.3515 -59.553 54.251 -60.7539 -32.3062 TIMING: 951200 CPU: 2762.43, 0.00291546/step Wall: 2762.43, 0.00291546/step, 3.27892 hours remaining, 203.804688 MB of memory in use. ENERGY: 951200 720.1871 2078.9483 1960.7730 107.9410 -206911.3209 17986.1219 0.0000 0.0000 34280.4797 -149776.8698 299.3800 -184057.3495 -149680.1024 297.5045 -23.8248 9.2693 555698.6258 -3.8503 -3.8183 PRESSURE: 951400 -36.6532 43.0099 221.597 43.0104 -49.6201 -134.923 221.596 -134.922 0.691957 GPRESSURE: 951400 -12.0635 42.0724 127.862 78.6213 -23.9907 -91.3729 246.504 -42.2871 53.8559 PRESSAVG: 951400 -28.9575 -27.1631 -5.30116 -27.163 34.4751 -9.43134 -5.30115 -9.43126 -5.58142 GPRESSAVG: 951400 -28.8594 -29.7855 -5.85718 -25.1373 35.4266 -9.15083 -5.96972 -10.7037 -6.16911 TIMING: 951400 CPU: 2763.02, 0.00293779/step Wall: 2763.02, 0.00293779/step, 3.30387 hours remaining, 203.804688 MB of memory in use. ENERGY: 951400 749.5997 2078.7541 1965.1239 101.5768 -206684.1952 17829.8256 0.0000 0.0000 34409.5052 -149549.8098 300.5068 -183959.3150 -149450.6965 298.9984 -28.5271 5.9339 556842.1869 -0.0213 0.1327 PRESSURE: 951600 110.393 10.3061 60.8976 10.3054 219.784 -0.138385 60.8992 -0.13862 32.9298 GPRESSURE: 951600 123.185 63.8601 36.8112 44.8007 209.844 71.5986 152.724 -59.1878 121.284 PRESSAVG: 951600 -7.83291 -56.9205 18.026 -56.9205 38.7697 -56.5619 18.026 -56.5619 -16.9154 GPRESSAVG: 951600 -7.8857 -56.0526 17.7499 -57.2766 39.2716 -58.8038 18.4463 -54.7244 -17.1416 TIMING: 951600 CPU: 2763.6, 0.00291406/step Wall: 2763.6, 0.00291406/step, 3.27703 hours remaining, 203.804688 MB of memory in use. ENERGY: 951600 720.0670 2121.4297 1959.5121 135.7275 -206804.4121 18075.2168 0.0000 0.0000 34088.1675 -149704.2915 297.7004 -183792.4590 -149609.8716 298.8486 121.0357 151.4378 556542.0525 4.6738 4.7481 PRESSURE: 951800 134.419 -43.4286 -15.9145 -43.4279 152.063 -57.7959 -15.9126 -57.7953 -37.2677 GPRESSURE: 951800 176.837 -7.06208 17.9925 -66.2342 181.926 -92.0445 2.10527 -4.40152 -14.014 PRESSAVG: 951800 -25.6647 12.7951 -2.69753 12.7951 27.8256 -17.9187 -2.69757 -17.9189 -1.82401 GPRESSAVG: 951800 -24.8037 13.4354 -2.47973 11.6 27.1117 -16.8748 -0.0989821 -16.9986 -1.68706 TIMING: 951800 CPU: 2764.18, 0.00289332/step Wall: 2764.18, 0.00289332/step, 3.25354 hours remaining, 203.804688 MB of memory in use. ENERGY: 951800 728.0197 2069.6109 1980.0260 106.2518 -206570.1677 17973.9462 0.0000 0.0000 33985.0457 -149727.2673 296.7999 -183712.3130 -149632.8298 297.8269 83.0716 114.9165 555989.5599 0.1123 0.2070 PRESSURE: 952000 28.5625 134.035 63.2727 134.034 -40.9324 18.1596 63.273 18.1587 -19.8251 GPRESSURE: 952000 14.2321 126.669 44.7075 181.79 5.02778 45.2789 22.2277 -13.4956 47.0702 PRESSAVG: 952000 27.2835 4.98871 -14.6868 4.9887 -66.2963 -50.8403 -14.6868 -50.8403 52.2304 GPRESSAVG: 952000 25.6809 4.07837 -15.3404 3.60662 -65.8065 -49.4769 -16.6698 -53.1322 53.2767 TIMING: 952000 CPU: 2764.76, 0.00289229/step Wall: 2764.76, 0.00289229/step, 3.25221 hours remaining, 203.804688 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: 952000 746.9733 2098.7149 1972.2637 118.0417 -206643.5840 17832.8912 0.0000 0.0000 34261.7522 -149612.9472 299.2164 -183874.6993 -149510.0090 297.7243 -10.7317 22.1100 555482.8893 4.4059 4.3837 PRESSURE: 952200 303.93 -38.0352 29.132 -38.0345 -74.2347 -10.222 29.1315 -10.2212 455.877 GPRESSURE: 952200 293.133 12.0849 31.7356 12.1226 -20.7716 -7.21463 19.2669 54.8305 498.715 PRESSAVG: 952200 8.85577 8.86949 -42.258 8.8695 -22.0223 -21.9926 -42.258 -21.9927 -44.3836 GPRESSAVG: 952200 9.03432 10.1291 -43.3851 10.4972 -22.2336 -21.4829 -41.8108 -22.6686 -44.1725 TIMING: 952200 CPU: 2765.34, 0.00291016/step Wall: 2765.34, 0.00291016/step, 3.27215 hours remaining, 203.804688 MB of memory in use. ENERGY: 952200 761.1481 2154.3705 1958.9664 108.1622 -207082.7498 18386.0029 0.0000 0.0000 34150.7417 -149563.3580 298.2469 -183714.0997 -149473.9489 298.7566 228.5238 257.0253 554867.5219 -19.1834 -19.1239 LDB: ============= START OF LOAD BALANCING ============== 2768.8 LDB: ============== END OF LOAD BALANCING =============== 2768.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.8 LDB: ============= START OF LOAD BALANCING ============== 2769.09 LDB: Largest compute 4827 load 0.026187 is 22.3% of average load 0.117625 LDB: Average compute 0.001734 is 1.5% of average load 0.117625 LDB: TIME 2769.09 LOAD: AVG 0.117625 MAX 0.176976 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.707 MB LDB: TIME 2769.09 LOAD: AVG 0.117625 MAX 0.176976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.801 MB LDB: TIME 2769.1 LOAD: AVG 0.117625 MAX 0.176976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2769.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2769.1 PRESSURE: 952400 -253.177 103.367 132.307 103.367 72.8875 -157.505 132.306 -157.503 211.177 GPRESSURE: 952400 -177.049 110.817 132.966 125.592 93.551 -132.303 150.945 -150.092 204.051 PRESSAVG: 952400 -5.87295 42.622 4.99474 42.6221 28.705 -18.0936 4.99476 -18.0936 -1.49295 GPRESSAVG: 952400 -4.50569 41.5916 8.68464 44.05 28.5195 -17.753 3.95579 -17.0534 -2.12147 TIMING: 952400 CPU: 2765.93, 0.00293688/step Wall: 2765.93, 0.00293688/step, 3.30203 hours remaining, 204.726562 MB of memory in use. ENERGY: 952400 731.8995 2092.8904 1989.2193 109.2879 -206643.4726 18079.3281 0.0000 0.0000 34088.0389 -149552.8085 297.6993 -183640.8474 -149461.6638 298.3362 10.2957 40.1843 557171.1049 7.1130 7.2974 PRESSURE: 952600 -243.711 10.3962 86.4159 10.3977 -350.962 104.3 86.4166 104.301 -41.4185 GPRESSURE: 952600 -191.962 -21.3498 6.11892 22.4484 -321.438 83.3176 79.0652 64.9814 -33.7535 PRESSAVG: 952600 -2.61759 30.1149 38.3465 30.1148 -11.5491 10.9234 38.3465 10.9233 28.6745 GPRESSAVG: 952600 -3.79685 30.6134 38.1772 29.1408 -11.1634 8.93686 37.1535 12.7863 29.6411 TIMING: 952600 CPU: 2766.5, 0.00289133/step Wall: 2766.5, 0.00289133/step, 3.25066 hours remaining, 204.726562 MB of memory in use. ENERGY: 952600 737.2523 2072.7705 1963.7420 122.8206 -205979.2160 17465.8438 0.0000 0.0000 34092.1540 -149524.6329 297.7353 -183616.7869 -149423.0519 298.3774 -212.0308 -182.3843 557406.2540 4.8359 4.8936 PRESSURE: 952800 -95.1437 139.726 47.1866 139.726 -141.364 143.454 47.1876 143.454 -73.6047 GPRESSURE: 952800 -111.878 84.3696 9.30625 139.421 -99.867 43.684 -25.3791 132.8 4.71551 PRESSAVG: 952800 -0.337802 -27.4592 47.7786 -27.4592 14.7525 119.937 47.7787 119.937 7.01189 GPRESSAVG: 952800 -0.485872 -28.2208 43.821 -26.9883 14.7606 121.499 49.5031 118.534 6.89853 TIMING: 952800 CPU: 2767.08, 0.00288083/step Wall: 2767.08, 0.00288083/step, 3.23869 hours remaining, 204.816406 MB of memory in use. ENERGY: 952800 783.4437 2095.9424 1968.6312 111.5412 -206452.6417 17796.4945 0.0000 0.0000 34280.0814 -149416.5071 299.3765 -183696.5886 -149312.7510 298.2836 -103.3709 -69.0099 557387.8292 7.1422 7.0577 PRESSURE: 953000 -37.465 135.868 65.2037 135.869 -39.7376 20.9532 65.2028 20.9542 -265.04 GPRESSURE: 953000 22.611 116.85 80.8194 128.504 -10.6808 -19.992 83.9272 4.39035 -255.505 PRESSAVG: 953000 41.3968 24.6437 49.088 24.6438 -33.128 39.8333 49.0881 39.8333 -15.0393 GPRESSAVG: 953000 41.5726 24.18 52.0596 23.6562 -33.1583 39.3425 47.581 39.7186 -15.1213 TIMING: 953000 CPU: 2767.66, 0.00288609/step Wall: 2767.66, 0.00288609/step, 3.24444 hours remaining, 204.816406 MB of memory in use. ENERGY: 953000 748.1929 2061.4894 1949.9392 125.0502 -206142.5700 17815.8256 0.0000 0.0000 34036.2402 -149405.8326 297.2470 -183442.0728 -149305.5384 298.6472 -114.0809 -81.1916 558214.6373 -2.2568 -2.2357 PRESSURE: 953200 92.9424 -79.0909 -89.1557 -79.0904 75.2038 -51.9954 -89.1546 -51.9951 109.957 GPRESSURE: 953200 166.142 -82.1129 -80.661 -91.3702 74.8278 -156.626 -186.32 5.99343 137.343 PRESSAVG: 953200 -23.9918 24.6717 -20.652 24.6717 35.3675 39.6163 -20.6521 39.6162 -12.5409 GPRESSAVG: 953200 -23.4296 25.518 -20.5387 24.1233 35.6888 40.9083 -22.5071 39.4962 -14.1425 TIMING: 953200 CPU: 2768.23, 0.00288735/step Wall: 2768.23, 0.00288735/step, 3.2457 hours remaining, 204.816406 MB of memory in use. ENERGY: 953200 749.6864 2090.9025 1939.7366 107.3055 -206317.9655 17690.6807 0.0000 0.0000 34267.2291 -149472.4246 299.2642 -183739.6537 -149373.0648 298.4164 92.7010 126.1043 556039.6041 -0.3884 -0.6278 PRESSURE: 953400 57.2374 45.2546 143.001 45.2549 67.2604 -35.5562 142.999 -35.5559 -10.4824 GPRESSURE: 953400 64.7537 28.4231 108.114 40.8938 127.295 -50.1013 239.088 -61.4328 12.6691 PRESSAVG: 953400 -13.591 -42.9382 2.73386 -42.9382 97.3098 55.3872 2.73379 55.387 -60.0119 GPRESSAVG: 953400 -14.0459 -42.5868 2.22113 -42.7731 97.3912 52.9279 4.03799 54.8696 -59.8302 TIMING: 953400 CPU: 2768.81, 0.00288713/step Wall: 2768.81, 0.00288713/step, 3.24529 hours remaining, 205.019531 MB of memory in use. ENERGY: 953400 741.1058 2068.4115 1942.4545 118.8647 -206092.2287 17660.6883 0.0000 0.0000 34258.1127 -149302.5911 299.1846 -183560.7039 -149207.4941 298.0254 38.0052 68.2393 554798.1308 7.9023 7.8384 PRESSURE: 953600 38.6676 -75.0298 39.0658 -75.0318 -88.3338 90.2772 39.0644 90.2762 -151.645 GPRESSURE: 953600 91.7281 -132.979 47.2551 -45.6019 -77.302 90.2823 11.0174 28.6061 -112.805 PRESSAVG: 953600 27.0595 -20.2634 -27.039 -20.2634 -3.26805 -1.92347 -27.039 -1.92343 -28.0049 GPRESSAVG: 953600 26.5924 -21.6526 -26.1358 -20.8342 -3.8905 -1.24984 -25.5065 -1.505 -26.1334 TIMING: 953600 CPU: 2769.39, 0.00288778/step Wall: 2769.39, 0.00288778/step, 3.24587 hours remaining, 205.078125 MB of memory in use. ENERGY: 953600 779.1332 2114.7547 1956.9545 115.1737 -206014.8405 17639.8158 0.0000 0.0000 34093.2644 -149315.7442 297.7450 -183409.0086 -149225.8901 299.0736 -67.1036 -32.7928 556842.1466 -1.4045 -1.1438 PRESSURE: 953800 -48.1098 178.576 38.6233 178.576 -118.389 -115.509 38.6229 -115.509 -292.706 GPRESSURE: 953800 -3.0113 148.858 42.4134 124.168 -92.5919 13.2234 -16.4714 -130.97 -260.585 PRESSAVG: 953800 35.3999 -45.5682 0.91958 -45.5681 6.38439 -7.14148 0.919529 -7.14164 4.52851 GPRESSAVG: 953800 34.4206 -44.3339 0.0163823 -44.5282 6.9418 -6.13645 -0.863879 -6.45607 4.85742 TIMING: 953800 CPU: 2769.97, 0.00288999/step Wall: 2769.97, 0.00288999/step, 3.24819 hours remaining, 205.078125 MB of memory in use. ENERGY: 953800 744.3727 2100.3511 1954.4845 110.6228 -206148.4173 17591.2787 0.0000 0.0000 34405.6918 -149241.6157 300.4735 -183647.3075 -149142.3639 298.5307 -153.0683 -118.7293 556723.0450 15.4376 15.4066 PRESSURE: 954000 128.219 -31.3459 45.7684 -31.346 127.432 219.173 45.7694 219.173 -231.131 GPRESSURE: 954000 137.443 -10.45 77.1898 -3.71917 138.75 141.87 21.3211 283.748 -159.389 PRESSAVG: 954000 55.9012 41.1997 29.0697 41.1998 30.2741 74.189 29.0696 74.1891 -49.1913 GPRESSAVG: 954000 55.3605 40.6006 27.9666 42.4902 31.3262 72.9508 30.617 75.1422 -49.9878 TIMING: 954000 CPU: 2770.54, 0.00287547/step Wall: 2770.54, 0.00287547/step, 3.23171 hours remaining, 205.078125 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: 954000 777.5341 2167.2417 1959.0154 112.1402 -206258.8382 17690.0616 0.0000 0.0000 34241.3823 -149311.4629 299.0385 -183552.8452 -149212.3877 299.4413 8.1734 38.9345 556634.7556 12.3280 12.2330 PRESSURE: 954200 200.528 199.84 24.3981 199.841 -60.9059 -40.7594 24.3974 -40.7585 -213.712 GPRESSURE: 954200 216.918 235.716 -14.1493 207.28 -33.8361 -31.0653 0.590594 -80.3251 -158.423 PRESSAVG: 954200 24.9187 -18.147 15.9825 -18.1469 21.7839 36.0007 15.9826 36.0007 -65.5777 GPRESSAVG: 954200 26.4835 -16.5474 17.1231 -19.7735 20.5854 37.0982 14.7922 34.0794 -65.8467 TIMING: 954200 CPU: 2771.13, 0.00291535/step Wall: 2771.13, 0.00291535/step, 3.27637 hours remaining, 205.078125 MB of memory in use. ENERGY: 954200 736.3709 2131.3415 1954.1068 118.2417 -206194.3392 17777.9679 0.0000 0.0000 33933.2575 -149543.0530 296.3476 -183476.3105 -149455.5082 298.5069 -24.6965 8.2195 557105.1885 -6.2917 -6.2592 PRESSURE: 954400 -342.161 118.194 108.371 118.195 -442.525 -129.316 108.372 -129.315 -318.679 GPRESSURE: 954400 -251.03 20.5149 82.3004 124.182 -414.138 -155.552 117.833 -147.308 -349.865 PRESSAVG: 954400 23.2164 -8.86122 -5.6052 -8.86119 -15.9934 -34.0595 -5.60525 -34.0594 -4.61499 GPRESSAVG: 954400 23.4086 -10.6237 -5.56183 -7.95134 -16.8706 -34.6108 -5.74591 -32.5973 -4.2364 TIMING: 954400 CPU: 2771.7, 0.00289198/step Wall: 2771.7, 0.00289198/step, 3.24994 hours remaining, 205.078125 MB of memory in use. ENERGY: 954400 758.8847 2135.7238 1970.7289 129.7615 -206315.4831 17427.5126 0.0000 0.0000 34247.2627 -149645.6090 299.0899 -183892.8717 -149543.6979 297.7777 -367.7881 -338.3444 558618.9789 0.8693 0.7672 PRESSURE: 954600 -108.974 186.797 105.4 186.798 -162.9 43.1614 105.401 43.1615 56.9023 GPRESSURE: 954600 -64.8218 152.83 48.9976 241.893 -158.691 6.1263 104.904 150.902 96.2682 PRESSAVG: 954600 18.3144 1.76529 98.7414 1.76533 -13.531 39.765 98.7414 39.765 13.2786 GPRESSAVG: 954600 17.4996 0.904585 98.1515 1.9953 -12.4578 39.2989 98.8567 40.7759 11.9503 TIMING: 954600 CPU: 2772.28, 0.00288376/step Wall: 2772.28, 0.00288376/step, 3.24054 hours remaining, 205.078125 MB of memory in use. ENERGY: 954600 757.6688 2119.5076 1962.4998 129.5635 -206719.0114 17827.8789 0.0000 0.0000 34503.7697 -149418.1232 301.3300 -183921.8929 -149325.2443 298.2106 -71.6573 -42.4149 556449.0929 6.0206 5.6640 PRESSURE: 954800 -22.7543 54.1251 -67.8686 54.1247 78.0697 60.1113 -67.869 60.1128 30.5476 GPRESSURE: 954800 -2.03951 9.35508 -119.727 23.761 121.126 45.061 -135.522 51.0928 51.0772 PRESSAVG: 954800 -21.2103 20.0763 0.119763 20.0764 -40.9015 -12.1905 0.119777 -12.1904 52.6852 GPRESSAVG: 954800 -22.0264 21.4636 0.811855 18.8335 -40.5114 -11.8062 0.536738 -14.4723 53.3106 TIMING: 954800 CPU: 2772.86, 0.00287494/step Wall: 2772.86, 0.00287494/step, 3.23048 hours remaining, 205.078125 MB of memory in use. ENERGY: 954800 746.0396 2098.2174 1979.2622 123.9332 -206044.6908 17546.1383 0.0000 0.0000 34113.5492 -149437.5509 297.9221 -183551.1001 -149346.0019 298.4374 28.6210 56.7214 555771.0294 -3.1422 -3.0757 PRESSURE: 955000 -181.903 -99.7051 144.701 -99.706 37.315 -223.169 144.701 -223.169 -81.1189 GPRESSURE: 955000 -156.117 -162.554 151.947 -80.043 17.0177 -250.336 72.5043 -131.514 5.39297 PRESSAVG: 955000 42.5903 -16.3273 20.6929 -16.3273 -2.95776 18.7921 20.693 18.792 36.21 GPRESSAVG: 955000 43.5004 -19.4548 19.9535 -13.0927 -3.44336 21.072 22.3231 16.9503 35.9979 TIMING: 955000 CPU: 2773.43, 0.0028867/step Wall: 2773.43, 0.0028867/step, 3.24353 hours remaining, 205.078125 MB of memory in use. ENERGY: 955000 714.9161 2078.5498 1968.2388 118.2245 -206276.1171 17675.8490 0.0000 0.0000 34086.2686 -149634.0705 297.6839 -183720.3391 -149541.7882 298.1576 -75.2357 -44.5688 555941.1878 25.2809 25.3516 PRESSURE: 955200 -14.6809 37.4822 170.192 37.4817 68.2446 102.509 170.191 102.509 144.551 GPRESSURE: 955200 71.4128 76.6846 240.412 27.8908 121.051 106.159 133.221 56.2316 112.954 PRESSAVG: 955200 1.09807 -30.0526 61.8871 -30.0527 -0.762501 -33.9802 61.887 -33.9802 26.7105 GPRESSAVG: 955200 1.76168 -28.6405 63.1657 -32.5613 -0.561988 -36.492 60.8048 -30.6096 26.1075 TIMING: 955200 CPU: 2774.01, 0.00289189/step Wall: 2774.01, 0.00289189/step, 3.2492 hours remaining, 205.078125 MB of memory in use. ENERGY: 955200 749.4716 2030.5780 1984.2700 118.4200 -206704.0568 18054.5599 0.0000 0.0000 34342.7895 -149423.9678 299.9241 -183766.7572 -149333.6751 299.0097 66.0383 101.8060 556668.5190 9.0153 9.1024 PRESSURE: 955400 -34.9708 -90.8341 -45.0289 -90.8328 -60.4475 -148.222 -45.03 -148.223 87.9287 GPRESSURE: 955400 -3.84808 -62.9852 -152.519 -28.1467 -61.4524 -138.334 -39.7706 -114.153 157.307 PRESSAVG: 955400 -29.633 40.2588 -22.8602 40.2588 14.7234 5.11801 -22.8601 5.11801 -10.0536 GPRESSAVG: 955400 -29.7475 42.0257 -23.4429 40.797 13.9142 4.82043 -21.7257 5.96744 -9.19428 TIMING: 955400 CPU: 2774.59, 0.00289384/step Wall: 2774.59, 0.00289384/step, 3.25122 hours remaining, 205.078125 MB of memory in use. ENERGY: 955400 759.3101 2056.0691 1995.1172 119.4486 -206192.5445 17735.1272 0.0000 0.0000 34127.5625 -149399.9097 298.0445 -183527.4722 -149309.0335 299.4127 -2.4965 30.6688 557190.7775 -8.3211 -8.3425 PRESSURE: 955600 28.9181 25.8515 63.6722 25.851 -109.542 -48.3259 63.6719 -48.3254 -174.598 GPRESSURE: 955600 71.1183 -15.7258 54.5574 -41.5619 -92.3639 -107.888 142.344 -70.4072 -144.261 PRESSAVG: 955600 28.8155 46.3499 -1.36916 46.3499 28.2397 12.6174 -1.36921 12.6174 14.2981 GPRESSAVG: 955600 29.0049 43.9526 -0.647615 46.5267 27.5086 15.004 -3.41283 10.0019 15.019 TIMING: 955600 CPU: 2775.17, 0.00288624/step Wall: 2775.17, 0.00288624/step, 3.24253 hours remaining, 205.078125 MB of memory in use. ENERGY: 955600 714.9484 2115.2133 1945.5476 109.5964 -205995.9202 17620.2596 0.0000 0.0000 33953.1732 -149537.1817 296.5215 -183490.3548 -149440.0168 298.4394 -85.0739 -55.1690 557455.0107 23.7844 23.8442 PRESSURE: 955800 -340.206 -77.852 -5.82548 -77.8533 -170.003 177.759 -5.82483 177.759 -441.371 GPRESSURE: 955800 -327.637 -138.725 -91.1793 12.0342 -136.406 123.384 12.139 89.7343 -388.099 PRESSAVG: 955800 -48.4602 -66.1693 -48.9716 -66.1693 -3.12861 56.5265 -48.9717 56.5265 -5.01857 GPRESSAVG: 955800 -48.4302 -65.0756 -49.3072 -65.4093 -2.56118 56.3166 -47.9087 56.9417 -5.30353 TIMING: 955800 CPU: 2775.75, 0.00289993/step Wall: 2775.75, 0.00289993/step, 3.25774 hours remaining, 205.078125 MB of memory in use. ENERGY: 955800 773.6788 2080.1904 1995.8014 110.9654 -206143.5781 17350.2879 0.0000 0.0000 34318.0533 -149514.6009 299.7081 -183832.6542 -149418.3254 297.4947 -317.1934 -284.0474 557052.5348 -18.8691 -18.7650 PRESSURE: 956000 -351.409 -165.204 -3.52996 -165.206 -153.663 -26.7813 -3.531 -26.7814 -214.358 GPRESSURE: 956000 -325.525 -193.886 -62.876 -178.9 -99.2747 -40.8188 52.3017 -18.0128 -182.98 PRESSAVG: 956000 -35.9703 -63.5693 -17.11 -63.5693 -7.45012 6.91494 -17.1101 6.91496 56.1062 GPRESSAVG: 956000 -35.0545 -63.6361 -17.3194 -63.8841 -6.97343 5.82789 -16.133 7.45621 55.4236 TIMING: 956000 CPU: 2776.33, 0.00289354/step Wall: 2776.33, 0.00289354/step, 3.25041 hours remaining, 205.078125 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: 956000 760.7760 2110.2468 1981.4472 121.4586 -206162.4785 17667.9954 0.0000 0.0000 34119.3004 -149401.2542 297.9723 -183520.5546 -149305.7762 298.6505 -239.8100 -202.5934 557575.3820 4.2286 4.4652 PRESSURE: 956200 288.765 78.4714 -128.141 78.4711 10.6901 62.4307 -128.142 62.4291 400.075 GPRESSURE: 956200 325.501 35.1209 -155.667 102.45 65.0893 34.8382 -119.278 147.987 398.119 PRESSAVG: 956200 -25.3111 -4.53078 -8.2783 -4.53076 -19.8005 -2.71497 -8.27821 -2.71505 37.1694 GPRESSAVG: 956200 -26.6491 -5.21069 -7.20923 -5.12539 -19.6499 -1.49928 -9.79636 -3.23692 37.9063 TIMING: 956200 CPU: 2776.91, 0.00289914/step Wall: 2776.91, 0.00289914/step, 3.25654 hours remaining, 205.078125 MB of memory in use. ENERGY: 956200 700.8978 2076.0369 1985.5069 111.2206 -206530.9979 18100.1489 0.0000 0.0000 34206.9295 -149350.2574 298.7376 -183557.1869 -149250.2701 297.8306 233.1767 262.9029 555836.0445 -2.6474 -2.7976 LDB: ============= START OF LOAD BALANCING ============== 2780.37 LDB: ============== END OF LOAD BALANCING =============== 2780.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2780.38 LDB: ============= START OF LOAD BALANCING ============== 2780.67 LDB: Largest compute 4820 load 0.026602 is 22.6% of average load 0.117585 LDB: Average compute 0.001725 is 1.5% of average load 0.117585 LDB: TIME 2780.67 LOAD: AVG 0.117585 MAX 0.177954 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 2780.67 LOAD: AVG 0.117585 MAX 0.177954 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: TIME 2780.67 LOAD: AVG 0.117585 MAX 0.177954 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2780.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2780.67 PRESSURE: 956400 124.65 135.884 70.4811 135.885 183.394 -100.018 70.4821 -100.019 135.584 GPRESSURE: 956400 169.97 161.448 29.901 108.719 215.916 -157.267 114.419 -49.5415 153.783 PRESSAVG: 956400 29.7937 18.6763 -23.968 18.6762 -36.2339 -10.965 -23.968 -10.9649 -19.8574 GPRESSAVG: 956400 29.2316 18.5046 -25.6673 19.0127 -36.283 -12.8766 -23.6942 -8.426 -19.7468 TIMING: 956400 CPU: 2777.5, 0.00296575/step Wall: 2777.5, 0.00296575/step, 3.3312 hours remaining, 204.449219 MB of memory in use. ENERGY: 956400 723.2885 2097.2490 1989.5942 111.1655 -206587.1050 18136.3621 0.0000 0.0000 34285.7883 -149243.6573 299.4263 -183529.4456 -149139.1057 298.8681 147.8761 179.8899 557538.3573 -8.7659 -8.9327 PRESSURE: 956600 -87.4938 97.1234 -141.481 97.1243 -161.991 -150.626 -141.482 -150.627 -142.258 GPRESSURE: 956600 -88.5185 74.0457 -112.958 123.039 -74.3313 -198.404 -136.194 -108.643 -131.361 PRESSAVG: 956600 -8.68034 -40.9789 -3.52498 -40.9788 -4.81757 -79.1772 -3.52502 -79.1773 -19.6764 GPRESSAVG: 956600 -9.10116 -40.2932 -3.11973 -41.1238 -4.51416 -79.7446 -2.68197 -79.0008 -19.9977 TIMING: 956600 CPU: 2778.08, 0.00291132/step Wall: 2778.08, 0.00291132/step, 3.2699 hours remaining, 204.687500 MB of memory in use. ENERGY: 956600 792.9806 2112.0710 1975.8368 112.4044 -205907.2090 17749.5188 0.0000 0.0000 33933.5713 -149230.8261 296.3503 -183164.3974 -149138.1588 298.6672 -130.5809 -98.0702 558755.0718 -11.0581 -11.2043 PRESSURE: 956800 104.683 -47.3688 -256.42 -47.3682 -165.618 -91.6053 -256.42 -91.6073 -120.192 GPRESSURE: 956800 163.534 -128.891 -240.083 46.6556 -138.757 -68.075 -240.896 -93.0897 -123.352 PRESSAVG: 956800 12.9456 26.1884 -25.5094 26.1884 -38.0098 -6.99013 -25.5093 -6.99008 28.9606 GPRESSAVG: 956800 12.9977 23.8491 -24.7001 26.1528 -36.3044 -5.13381 -26.7571 -8.96108 27.9641 TIMING: 956800 CPU: 2778.66, 0.00289904/step Wall: 2778.66, 0.00289904/step, 3.25595 hours remaining, 204.687500 MB of memory in use. ENERGY: 956800 725.0897 2086.0606 1998.1767 120.9702 -205787.0104 17547.8791 0.0000 0.0000 34278.5866 -149030.2475 299.3634 -183308.8341 -148937.6043 298.7627 -60.3753 -32.8584 557726.4172 1.2988 1.5525 PRESSURE: 957000 -114.071 29.1805 94.9628 29.1793 40.1921 26.4666 94.9611 26.4664 20.9593 GPRESSURE: 957000 -76.7907 -64.0981 135.658 17.5665 66.7595 -4.61655 173.773 90.1474 40.703 PRESSAVG: 957000 8.16906 -35.8604 6.63403 -35.8604 -16.7164 -44.3495 6.63391 -44.3496 20.578 GPRESSAVG: 957000 8.50647 -33.9294 8.04811 -35.3178 -18.0247 -44.2068 4.602 -45.1965 21.9757 TIMING: 957000 CPU: 2779.24, 0.00289987/step Wall: 2779.24, 0.00289987/step, 3.25672 hours remaining, 204.687500 MB of memory in use. ENERGY: 957000 737.3505 2128.4724 1996.5814 114.2227 -206056.1815 17769.6545 0.0000 0.0000 34396.0148 -148913.8853 300.3890 -183309.9001 -148810.3746 299.2701 -17.6399 10.2239 557223.7716 4.0102 4.1525 PRESSURE: 957200 231.809 166.819 62.7633 166.819 7.31741 5.81116 62.7609 5.81106 235.982 GPRESSURE: 957200 248.555 141.854 -11.0214 83.5712 -0.236867 9.83075 122.003 -78.4809 310.214 PRESSAVG: 957200 25.0566 -47.8339 44.4358 -47.8339 -3.82712 -9.45937 44.4358 -9.45949 -18.5413 GPRESSAVG: 957200 26.2267 -49.4554 41.2638 -47.7303 -4.17001 -9.79854 48.7201 -7.9858 -18.8968 TIMING: 957200 CPU: 2779.82, 0.00288079/step Wall: 2779.82, 0.00288079/step, 3.23513 hours remaining, 204.746094 MB of memory in use. ENERGY: 957200 717.1910 2146.9806 1998.4685 108.2079 -206383.5325 18032.8067 0.0000 0.0000 34276.0932 -149103.7845 299.3416 -183379.8777 -149003.1373 299.2332 158.3695 186.1774 557479.4581 0.8961 1.0533 PRESSURE: 957400 1.01241 -55.5021 132.604 -55.503 -153.933 -38.9379 132.602 -38.9384 66.5353 GPRESSURE: 957400 28.9792 -19.4374 107.375 -60.11 -108.991 -38.1318 91.4978 -41.5433 86.4432 PRESSAVG: 957400 31.1935 30.0073 -28.6347 30.0073 -5.41224 9.01364 -28.6347 9.01359 -62.7978 GPRESSAVG: 957400 31.5121 31.432 -28.2376 30.6443 -4.04513 10.1652 -32.1821 8.59275 -64.1272 TIMING: 957400 CPU: 2780.39, 0.00287777/step Wall: 2780.39, 0.00287777/step, 3.23157 hours remaining, 204.746094 MB of memory in use. ENERGY: 957400 778.6920 2123.3945 1997.8814 115.6455 -206127.1469 17867.6967 0.0000 0.0000 34299.6169 -148944.2200 299.5471 -183243.8369 -148852.7578 299.6663 -28.7949 2.1437 557912.9537 -12.3388 -12.2200 PRESSURE: 957600 320.731 -84.1616 36.5297 -84.1621 127.055 -65.1699 36.5297 -65.1708 141.643 GPRESSURE: 957600 368.577 -149.877 80.7994 -26.9855 128.292 -32.5436 59.2777 -74.2672 176.447 PRESSAVG: 957600 53.2205 -51.6407 -30.0995 -51.6407 -32.5567 -11.6492 -30.0994 -11.6492 44.5413 GPRESSAVG: 957600 53.8165 -51.1264 -27.9489 -53.4102 -34.0379 -12.1829 -26.9076 -11.9172 44.7656 TIMING: 957600 CPU: 2780.97, 0.00287834/step Wall: 2780.97, 0.00287834/step, 3.23205 hours remaining, 204.746094 MB of memory in use. ENERGY: 957600 799.3286 2133.3020 2005.8015 103.9366 -206335.1753 18141.7987 0.0000 0.0000 34253.3506 -148897.6573 299.1430 -183151.0079 -148803.0272 300.1245 196.4765 224.4386 557113.8892 21.7350 21.5148 PRESSURE: 957800 25.1157 -19.8899 -12.5165 -19.8901 101.396 69.4732 -12.5155 69.473 110.895 GPRESSURE: 957800 66.1189 20.4591 81.1298 6.56082 151.598 -11.4688 -55.5996 40.9868 112.193 PRESSAVG: 957800 -10.9807 3.15937 3.59866 3.15937 -13.1467 -31.6823 3.59875 -31.6823 12.0407 GPRESSAVG: 957800 -11.0965 2.07626 2.13339 4.31182 -12.6472 -33.3652 0.166354 -30.6512 11.9052 TIMING: 957800 CPU: 2781.56, 0.00293356/step Wall: 2781.56, 0.00293356/step, 3.2939 hours remaining, 204.746094 MB of memory in use. ENERGY: 957800 758.2135 2155.8902 1980.0585 117.6503 -206272.0127 17969.3890 0.0000 0.0000 34342.7232 -148948.0880 299.9235 -183290.8111 -148847.0348 300.2190 79.1357 109.9700 556811.8652 -4.0289 -3.9462 PRESSURE: 958000 -151.253 -21.1116 -178.479 -21.1107 -111.181 -125.129 -178.478 -125.13 6.7385 GPRESSURE: 958000 -95.4873 29.5514 -222.828 2.87122 -101.319 -38.2911 -117.557 -145.226 40.7356 PRESSAVG: 958000 49.5058 28.0717 9.65053 28.0717 -10.5147 -21.1777 9.6506 -21.1777 21.5866 GPRESSAVG: 958000 48.8814 29.3816 11.9555 27.7588 -11.0437 -18.805 10.6188 -22.4102 22.441 TIMING: 958000 CPU: 2782.14, 0.00292444/step Wall: 2782.14, 0.00292444/step, 3.2835 hours remaining, 204.882812 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: 958000 710.5402 2120.7902 2012.1113 117.1533 -205596.6285 17292.2799 0.0000 0.0000 34385.6350 -148958.1186 300.2983 -183343.7536 -148863.9902 299.5505 -85.2319 -52.0237 556536.4156 20.1925 20.0929 PRESSURE: 958200 70.7405 -128.216 118.602 -128.216 -135.236 -24.3904 118.603 -24.3916 121.47 GPRESSURE: 958200 87.6443 -57.8233 130.847 -132.622 -58.2866 -63.6143 104.94 8.44772 125.008 PRESSAVG: 958200 -0.571441 -25.2068 10.8004 -25.2069 18.2409 4.11248 10.8004 4.11243 -5.85726 GPRESSAVG: 958200 -0.401309 -25.6941 5.84916 -25.3477 20.0003 3.30462 12.9951 4.54484 -7.37595 TIMING: 958200 CPU: 2782.73, 0.00293576/step Wall: 2782.73, 0.00293576/step, 3.29604 hours remaining, 204.882812 MB of memory in use. ENERGY: 958200 745.4676 2123.7484 1992.7594 122.5873 -205972.5926 17787.2041 0.0000 0.0000 34184.5257 -149016.3002 298.5420 -183200.8259 -148916.8267 299.1418 18.9914 51.4551 556700.4281 3.9374 4.0744 PRESSURE: 958400 151.757 83.4428 -147.366 83.4439 159.722 15.4523 -147.364 15.4537 -301.05 GPRESSURE: 958400 187.072 -3.36377 -126.357 110.607 174.209 69.3915 -62.6941 24.2523 -265.965 PRESSAVG: 958400 -5.53728 34.0197 -25.0183 34.0198 -14.3596 -8.92395 -25.0183 -8.92404 -17.6925 GPRESSAVG: 958400 -4.00019 34.968 -21.4361 34.1962 -15.3799 -8.87831 -27.6626 -9.53672 -17.4211 TIMING: 958400 CPU: 2783.31, 0.0029178/step Wall: 2783.31, 0.0029178/step, 3.27571 hours remaining, 204.882812 MB of memory in use. ENERGY: 958400 739.3419 2070.3527 2006.3868 132.0895 -205853.7004 17629.9055 0.0000 0.0000 34222.4113 -149053.2128 298.8728 -183275.6240 -148958.1019 299.5402 3.4761 31.7717 557094.5942 -12.5298 -12.2671 PRESSURE: 958600 -211.982 107.131 -134.643 107.132 -312.753 -21.8416 -134.642 -21.8428 -195.025 GPRESSURE: 958600 -139.391 18.9831 -191.892 187.763 -298.381 -44.7583 -106.136 13.4421 -203.473 PRESSAVG: 958600 -26.32 -39.9847 -34.1357 -39.9848 26.072 12.939 -34.1357 12.939 -26.4288 GPRESSAVG: 958600 -26.169 -39.2245 -35.3766 -40.7491 26.4003 12.7145 -33.3259 14.0531 -26.9376 TIMING: 958600 CPU: 2783.89, 0.00288888/step Wall: 2783.89, 0.00288888/step, 3.24309 hours remaining, 204.882812 MB of memory in use. ENERGY: 958600 784.4353 2030.9013 2011.9224 114.6533 -205853.4825 17441.4460 0.0000 0.0000 34282.8569 -149187.2673 299.4007 -183470.1242 -149090.9834 299.3524 -239.9197 -213.7482 556245.5502 -8.8923 -8.9021 PRESSURE: 958800 -33.7407 -75.3779 27.0017 -75.3782 239.909 84.752 27.002 84.7517 -17.3563 GPRESSURE: 958800 -39.3031 -132.946 59.2729 14.6433 325.067 80.9741 26.3745 71.0839 0.74596 PRESSAVG: 958800 17.1735 17.2741 -61.4101 17.274 8.87751 3.44609 -61.4101 3.44618 -8.18045 GPRESSAVG: 958800 16.5731 15.2503 -60.4983 19.8005 7.82074 2.25053 -61.689 4.14864 -6.65865 TIMING: 958800 CPU: 2784.46, 0.0028773/step Wall: 2784.46, 0.0028773/step, 3.22993 hours remaining, 204.882812 MB of memory in use. ENERGY: 958800 742.2837 2135.0304 2001.4111 106.9299 -206320.3720 17856.8599 0.0000 0.0000 34221.4845 -149256.3724 298.8647 -183477.8569 -149157.1287 298.2462 62.9374 95.5034 556036.2918 5.9569 5.9117 PRESSURE: 959000 -83.6975 154.344 45.3177 154.344 -84.5148 -87.4771 45.3179 -87.4775 53.3625 GPRESSURE: 959000 -54.1504 208.014 74.8857 107.791 -26.76 -19.9781 46.8824 -55.5115 78.9842 PRESSAVG: 959000 -26.485 40.289 5.91539 40.289 62.6574 19.8362 5.91529 19.8362 -66.2171 GPRESSAVG: 959000 -26.2787 39.7087 6.70689 38.9076 62.5709 20.7316 4.16757 18.1948 -66.3724 TIMING: 959000 CPU: 2785.04, 0.00289799/step Wall: 2785.04, 0.00289799/step, 3.25299 hours remaining, 204.882812 MB of memory in use. ENERGY: 959000 717.9452 2082.9824 1997.9783 107.8998 -206561.8375 17873.8350 0.0000 0.0000 34343.5561 -149437.6407 299.9308 -183781.1968 -149346.8277 299.0063 -38.2833 -0.6421 557944.2777 -10.0149 -10.0267 PRESSURE: 959200 -3.97869 105.512 -13.2047 105.515 -40.3511 -21.1453 -13.205 -21.1459 45.8993 GPRESSURE: 959200 19.4295 105.761 12.8968 161.321 -38.3945 47.173 41.9106 -32.3381 119.243 PRESSAVG: 959200 10.9479 -12.7331 27.4071 -12.7332 -42.9825 11.9032 27.4072 11.9031 -3.64359 GPRESSAVG: 959200 9.96746 -11.582 25.1039 -13.5552 -41.2579 11.2614 30.5066 11.1339 -4.60833 TIMING: 959200 CPU: 2785.62, 0.00288529/step Wall: 2785.62, 0.00288529/step, 3.23857 hours remaining, 204.882812 MB of memory in use. ENERGY: 959200 749.0771 2073.2419 1990.3684 111.8821 -206375.9206 17836.9876 0.0000 0.0000 34331.6707 -149282.6929 299.8270 -183614.3636 -149183.1179 297.6421 0.5232 33.4260 556853.9166 -11.8927 -11.9663 PRESSURE: 959400 128.364 144.288 -181.358 144.288 -343.34 -114.051 -181.359 -114.05 -179.66 GPRESSURE: 959400 100.428 152.917 -178.042 119.327 -255.066 -236.236 -206.167 20.9295 -147.52 PRESSAVG: 959400 50.0128 65.6412 4.64072 65.6412 -24.9001 -27.0787 4.64072 -27.0787 -34.4592 GPRESSAVG: 959400 50.4663 66.337 6.16931 65.6023 -26.2116 -26.5278 2.89936 -26.8939 -34.2629 TIMING: 959400 CPU: 2786.2, 0.0029078/step Wall: 2786.2, 0.0029078/step, 3.26368 hours remaining, 204.882812 MB of memory in use. ENERGY: 959400 774.7099 2030.5945 1975.3682 115.8706 -205831.4556 17541.3423 0.0000 0.0000 34115.5145 -149278.0557 297.9393 -183393.5702 -149188.5306 299.3482 -131.5455 -100.7193 557391.0457 -3.1155 -3.3360 PRESSURE: 959600 -12.4781 41.0452 -146.473 41.0447 -259.068 -80.1758 -146.475 -80.1749 -175.481 GPRESSURE: 959600 -9.75904 7.62807 -176.027 40.1618 -229.978 -112.167 -124.229 -63.0644 -110.846 PRESSAVG: 959600 -15.7557 -18.9935 -16.3753 -18.9935 27.9765 -49.88 -16.3753 -49.8799 -12.1734 GPRESSAVG: 959600 -16.3604 -19.5184 -19.6748 -19.2517 27.9732 -51.4111 -14.1403 -49.0643 -11.0228 TIMING: 959600 CPU: 2786.78, 0.00288848/step Wall: 2786.78, 0.00288848/step, 3.24184 hours remaining, 204.882812 MB of memory in use. ENERGY: 959600 755.3390 2103.4180 1999.0586 105.4236 -206141.8943 17697.8515 0.0000 0.0000 34234.6090 -149246.1946 298.9794 -183480.8035 -149144.3526 299.2937 -149.0090 -116.8610 557550.2608 0.0158 0.1966 PRESSURE: 959800 164.728 8.57615 -6.5907 8.57499 -192.895 -70.1811 -6.5915 -70.1801 -76.8307 GPRESSURE: 959800 132.113 0.0757895 5.6604 9.18756 -88.4523 -87.6447 -82.0694 -82.6665 -62.5349 PRESSAVG: 959800 10.7982 35.5945 -46.4733 35.5946 -21.4681 -76.2246 -46.4733 -76.2246 11.6234 GPRESSAVG: 959800 11.1352 34.9419 -45.9843 37.6403 -20.9753 -75.4373 -47.3087 -75.7436 11.0909 TIMING: 959800 CPU: 2787.36, 0.00290105/step Wall: 2787.36, 0.00290105/step, 3.25578 hours remaining, 204.882812 MB of memory in use. ENERGY: 959800 711.3559 2112.6694 1989.0766 118.7767 -206182.6935 17699.5713 0.0000 0.0000 34079.0557 -149472.1880 297.6209 -183551.2436 -149375.6258 298.6575 -34.9992 -6.2914 557849.6407 0.3178 0.4169 PRESSURE: 960000 -264.782 -119.004 -76.5095 -119.004 3.18871 -132.979 -76.5098 -132.979 9.1193 GPRESSURE: 960000 -197.75 -119.933 -29.4684 -143.624 55.0645 -208.91 -68.9848 -51.138 1.43922 PRESSAVG: 960000 -65.5825 -23.4455 57.9017 -23.4456 8.35745 -11.1872 57.9018 -11.1872 53.9728 GPRESSAVG: 960000 -65.5456 -23.3074 61.1905 -25.3375 8.24371 -11.4484 55.7111 -11.5513 54.284 TIMING: 960000 CPU: 2787.94, 0.00288817/step Wall: 2787.94, 0.00288817/step, 3.24116 hours remaining, 204.882812 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: 960000 752.4180 2064.1602 1963.1798 110.5205 -206245.4927 17756.2318 0.0000 0.0000 34193.1226 -149405.8598 298.6170 -183598.9825 -149303.4137 298.1760 -84.1580 -47.0822 556631.1000 -1.0841 -1.0060 PRESSURE: 960200 -133.45 -132.439 -133.435 -132.44 323.943 -188.987 -133.435 -188.987 64.9702 GPRESSURE: 960200 -64.5863 -204.461 -113.618 -186.218 308.947 -179.301 -150.574 -237.198 108.326 PRESSAVG: 960200 2.65238 13.9132 -67.7555 13.9131 11.8264 -67.3772 -67.7555 -67.3773 41.0184 GPRESSAVG: 960200 3.54493 13.5256 -68.8913 14.6092 10.923 -70.0777 -66.5652 -66.5411 40.4789 TIMING: 960200 CPU: 2788.51, 0.00288294/step Wall: 2788.51, 0.00288294/step, 3.23514 hours remaining, 204.882812 MB of memory in use. ENERGY: 960200 749.7172 2086.0472 1975.1993 108.7709 -206643.3351 18141.4540 0.0000 0.0000 34168.9390 -149413.2075 298.4058 -183582.1465 -149313.0508 298.7022 85.1545 117.5622 556301.0141 18.4990 18.3156 LDB: ============= START OF LOAD BALANCING ============== 2791.98 LDB: ============== END OF LOAD BALANCING =============== 2791.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2791.98 LDB: ============= START OF LOAD BALANCING ============== 2792.27 LDB: Largest compute 4820 load 0.027161 is 23.1% of average load 0.117602 LDB: Average compute 0.001726 is 1.5% of average load 0.117602 LDB: TIME 2792.28 LOAD: AVG 0.117602 MAX 0.179937 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.789 MB LDB: TIME 2792.28 LOAD: AVG 0.117602 MAX 0.179937 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.992 MB LDB: TIME 2792.28 LOAD: AVG 0.117602 MAX 0.179937 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.992 MB LDB: ============== END OF LOAD BALANCING =============== 2792.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2792.28 PRESSURE: 960400 -182.777 143.231 101.518 143.232 -207.01 73.7747 101.517 73.7723 -60.1135 GPRESSURE: 960400 -116.472 172.734 165.16 166.631 -169.111 88.0324 56.4384 -15.2411 -65.6018 PRESSAVG: 960400 -51.6839 27.9651 24.0922 27.965 3.5277 37.7146 24.0921 37.7146 9.77777 GPRESSAVG: 960400 -52.844 29.1216 23.6216 26.525 4.70957 41.217 25.1665 36.6023 9.21062 TIMING: 960400 CPU: 2789.11, 0.00296527/step Wall: 2789.11, 0.00296527/step, 3.32736 hours remaining, 206.320312 MB of memory in use. ENERGY: 960400 730.8485 2115.1556 1975.8489 115.7453 -205961.2904 17554.7088 0.0000 0.0000 34204.7152 -149264.2681 298.7183 -183468.9833 -149170.0248 298.5284 -149.9668 -117.0613 557930.1015 -12.7928 -12.9746 PRESSURE: 960600 -141.612 111.086 66.4104 111.084 15.5452 -184.454 66.4099 -184.455 52.6364 GPRESSURE: 960600 -100.341 93.4286 137.993 82.3312 16.0493 -184.273 73.2031 -162.94 102.448 PRESSAVG: 960600 13.4086 49.2929 -4.38343 49.2929 18.1496 -14.9525 -4.38347 -14.9526 -59.3116 GPRESSAVG: 960600 13.3131 47.8125 -4.18003 52.1131 17.6887 -13.8518 -6.63971 -14.3256 -59.0493 TIMING: 960600 CPU: 2789.69, 0.00289353/step Wall: 2789.69, 0.00289353/step, 3.2467 hours remaining, 206.777344 MB of memory in use. ENERGY: 960600 766.1446 2066.8974 1991.4711 107.0393 -205897.9387 17675.7590 0.0000 0.0000 34149.6847 -149140.9425 298.2377 -183290.6272 -149045.1880 298.9416 -24.4769 6.0519 558852.9255 -9.2512 -9.3491 PRESSURE: 960800 303.482 41.9208 -166.806 41.92 -177.869 -113.026 -166.806 -113.024 204.739 GPRESSURE: 960800 242.638 13.5803 -236.532 108.305 -56.4546 -220.526 -78.5818 -225.136 234.6 PRESSAVG: 960800 5.27253 -8.6981 8.60722 -8.69816 10.9497 -22.032 8.60716 -22.032 31.1731 GPRESSAVG: 960800 4.94918 -8.32451 8.51252 -8.63874 11.5395 -21.6306 9.22897 -25.0972 31.2942 TIMING: 960800 CPU: 2790.27, 0.00290154/step Wall: 2790.27, 0.00290154/step, 3.25553 hours remaining, 206.777344 MB of memory in use. ENERGY: 960800 742.0675 2051.6765 1986.5812 104.4059 -206386.8395 18008.4913 0.0000 0.0000 34280.2408 -149213.3763 299.3779 -183493.6171 -149118.0480 299.0187 110.1178 140.2613 558268.1076 15.7984 15.9276 PRESSURE: 961000 -46.2956 -86.4825 -38.4511 -86.4824 229.783 -144.372 -38.4505 -144.371 215.763 GPRESSURE: 961000 -39.9648 -80.2243 -15.3194 -107.091 302.434 -168.044 -73.0238 -146.232 237.143 PRESSAVG: 961000 0.112416 -15.4085 -25.3113 -15.4084 26.3215 -24.7476 -25.3113 -24.7475 18.7683 GPRESSAVG: 961000 0.329749 -15.4904 -24.1311 -18.2853 24.9408 -27.1134 -24.2962 -22.3331 19.9595 TIMING: 961000 CPU: 2790.84, 0.00288589/step Wall: 2790.84, 0.00288589/step, 3.23781 hours remaining, 206.777344 MB of memory in use. ENERGY: 961000 728.3788 2083.2920 1982.4520 117.7818 -206891.4208 18424.7393 0.0000 0.0000 34208.8099 -149345.9670 298.7540 -183554.7769 -149255.6306 298.4439 133.0834 166.5373 559384.0417 15.0674 15.0767 PRESSURE: 961200 -331.143 -168.017 100.553 -168.017 -6.84903 -106.771 100.553 -106.768 -158.51 GPRESSURE: 961200 -222.418 -114.684 169.162 -123.749 -5.36536 -70.1617 98.4349 -169.87 -173.346 PRESSAVG: 961200 -20.7143 -22.7859 5.49963 -22.7858 64.259 -37.1582 5.49964 -37.1582 -2.37099 GPRESSAVG: 961200 -19.8544 -23.1201 4.43159 -20.9869 64.8813 -35.2453 6.36723 -36.8719 -2.83485 TIMING: 961200 CPU: 2791.43, 0.00290713/step Wall: 2791.43, 0.00290713/step, 3.26148 hours remaining, 206.789062 MB of memory in use. ENERGY: 961200 757.1141 2135.2116 1952.9923 124.4719 -205992.4354 17678.7074 0.0000 0.0000 34066.3739 -149277.5643 297.5101 -183343.9382 -149183.3206 298.8753 -165.5009 -133.7099 558227.3858 13.7246 14.0640 PRESSURE: 961400 -90.0768 -57.4338 120.017 -57.4342 -187.634 53.7609 120.016 53.7624 -532.813 GPRESSURE: 961400 -108.073 -138.18 72.5252 28.7625 -152.131 100.466 86.6881 119.634 -451.56 PRESSAVG: 961400 -15.661 -12.7164 27.5379 -12.7165 53.0792 -65.5045 27.5378 -65.5045 -17.8336 GPRESSAVG: 961400 -17.5837 -12.6006 27.0946 -14.4095 55.1531 -65.7605 27.4251 -66.3332 -18.6543 TIMING: 961400 CPU: 2792.01, 0.00290176/step Wall: 2792.01, 0.00290176/step, 3.25529 hours remaining, 206.789062 MB of memory in use. ENERGY: 961400 718.9306 2133.7301 2017.1096 118.9158 -205806.3078 17450.9629 0.0000 0.0000 34067.2318 -149299.4270 297.5176 -183366.6588 -149205.2258 299.4199 -270.1749 -237.2546 557377.6804 6.5282 6.3050 PRESSURE: 961600 172.148 39.7571 61.8549 39.7562 14.9613 153.344 61.8576 153.345 103.396 GPRESSURE: 961600 202.124 99.0997 71.7165 57.9597 90.286 242.876 41.6702 116.209 87.6782 PRESSAVG: 961600 -43.5725 10.6104 62.0808 10.6104 43.6454 -39.532 62.0809 -39.5319 4.92717 GPRESSAVG: 961600 -42.3047 10.497 60.5842 10.5842 42.278 -40.2837 62.5371 -39.7862 5.26903 TIMING: 961600 CPU: 2792.59, 0.00290153/step Wall: 2792.59, 0.00290153/step, 3.25487 hours remaining, 206.789062 MB of memory in use. ENERGY: 961600 760.0402 2184.9036 1972.8632 118.1798 -206362.8213 18013.0347 0.0000 0.0000 34229.3943 -149084.4055 298.9338 -183313.7998 -148996.8476 298.6543 96.8352 126.6959 556525.1175 1.6667 1.7475 PRESSURE: 961800 -96.2911 3.31903 111.569 3.31951 82.6778 -231.429 111.57 -231.43 -80.1124 GPRESSURE: 961800 -100.507 41.3991 82.6973 50.5605 135.382 -204.195 156.21 -189.936 -31.6307 PRESSAVG: 961800 -44.7514 -19.9661 5.71766 -19.9661 -16.4257 -24.4707 5.71765 -24.4707 35.9395 GPRESSAVG: 961800 -45.1664 -19.7203 6.75671 -19.0848 -16.2906 -23.8164 4.08584 -24.0542 36.1811 TIMING: 961800 CPU: 2793.17, 0.00290429/step Wall: 2793.17, 0.00290429/step, 3.25781 hours remaining, 206.789062 MB of memory in use. ENERGY: 961800 756.9482 2114.6236 1958.0469 118.0477 -205829.7488 17706.3688 0.0000 0.0000 34180.1205 -148995.5931 298.5035 -183175.7136 -148908.2967 299.3862 -31.2419 1.0815 557635.5714 -8.4125 -8.4253 PRESSURE: 962000 -32.0065 -17.065 110.047 -17.0653 245.367 18.936 110.047 18.935 131.569 GPRESSURE: 962000 -40.2588 55.6401 53.9667 -119.443 258.347 -24.2552 145.884 46.4137 204.709 PRESSAVG: 962000 -67.4439 70.0888 -0.147373 70.0887 -20.5355 -73.8524 -0.147401 -73.8524 130.058 GPRESSAVG: 962000 -67.6468 71.25 -0.299748 68.3421 -20.364 -75.6399 0.867792 -75.2699 129.747 TIMING: 962000 CPU: 2793.75, 0.00292129/step Wall: 2793.75, 0.00292129/step, 3.27671 hours remaining, 206.789062 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: 962000 719.9622 2087.2900 1956.3291 113.5479 -206134.6380 17968.1234 0.0000 0.0000 34404.8404 -148884.5449 300.4660 -183289.3854 -148786.9214 300.2209 114.9767 140.9322 558431.0444 14.0263 13.9120 PRESSURE: 962200 -85.0921 10.9158 -25.793 10.916 -138.39 -41.2582 -25.7935 -41.2576 67.1745 GPRESSURE: 962200 -72.0308 -10.6061 -1.202 92.078 -83.4559 -15.7202 -55.2369 -5.62815 98.8199 PRESSAVG: 962200 -59.5004 23.5216 24.4835 23.5217 -37.8731 26.6664 24.4834 26.6666 64.9908 GPRESSAVG: 962200 -58.7496 21.7819 23.6811 24.509 -38.3267 25.8743 25.1219 28.5516 65.5897 TIMING: 962200 CPU: 2794.33, 0.00289402/step Wall: 2794.33, 0.00289402/step, 3.24597 hours remaining, 206.789062 MB of memory in use. ENERGY: 962200 749.5556 2082.8213 1941.1815 108.9303 -205961.8416 17779.5816 0.0000 0.0000 34492.0621 -148807.7092 301.2278 -183299.7713 -148712.3490 299.8440 -52.1025 -18.8889 558509.0695 -10.7943 -10.4955 PRESSURE: 962400 -114.692 194.562 -196.947 194.563 13.1238 52.2373 -196.945 52.2376 -446.262 GPRESSURE: 962400 -70.2281 151.643 -204.619 163.273 17.026 53.0329 -219.279 76.5989 -389.648 PRESSAVG: 962400 -13.7013 58.5807 22.3474 58.5808 -11.8467 8.20774 22.3474 8.20785 27.8728 GPRESSAVG: 962400 -13.4846 59.3769 24.4958 59.2579 -12.1218 9.69282 22.6069 7.03206 28.488 TIMING: 962400 CPU: 2794.91, 0.00291115/step Wall: 2794.91, 0.00291115/step, 3.26501 hours remaining, 206.789062 MB of memory in use. ENERGY: 962400 745.1659 2163.5927 1951.4802 116.8230 -205980.2096 17684.8008 0.0000 0.0000 34315.3990 -149002.9480 299.6849 -183318.3470 -148907.4265 299.7920 -182.6101 -147.6166 559333.9401 0.7750 0.9606 PRESSURE: 962600 -265.938 -46.5497 -48.843 -46.5487 143.929 111.469 -48.8437 111.469 328.536 GPRESSURE: 962600 -242.939 -37.7548 -42.4301 -67.9153 202.872 186.686 -15.378 108.387 341.586 PRESSAVG: 962600 -15.0996 48.253 16.1716 48.253 57.5893 15.8007 16.1717 15.8006 -7.67622 GPRESSAVG: 962600 -14.9844 47.9474 13.5933 48.9401 58.5336 16.2014 16.4732 15.1452 -9.31361 TIMING: 962600 CPU: 2795.5, 0.00292267/step Wall: 2795.5, 0.00292267/step, 3.27777 hours remaining, 206.789062 MB of memory in use. ENERGY: 962600 737.0297 2078.7235 1966.8321 109.4107 -206116.5776 17770.0344 0.0000 0.0000 34388.7538 -149065.7934 300.3255 -183454.5472 -148966.9921 299.2109 68.8421 100.5065 557423.4160 11.6045 11.4119 PRESSURE: 962800 -73.5412 -71.8003 -32.0537 -71.801 -31.0478 -130.559 -32.0537 -130.559 -21.4404 GPRESSURE: 962800 -34.1462 -47.7234 -19.7155 -99.673 13.477 -99.498 3.59625 -141.572 -14.7317 PRESSAVG: 962800 1.39965 8.72532 52.9872 8.72541 14.1242 3.00526 52.9873 3.00524 1.5073 GPRESSAVG: 962800 0.774219 10.148 53.3922 6.3281 13.0544 0.989568 51.7652 1.5561 2.66983 TIMING: 962800 CPU: 2796.08, 0.00291747/step Wall: 2796.08, 0.00291747/step, 3.27179 hours remaining, 206.789062 MB of memory in use. ENERGY: 962800 727.7658 2113.2729 1967.0506 108.4421 -205982.3873 17711.6871 0.0000 0.0000 34182.0647 -149172.1040 298.5205 -183354.1688 -149075.9047 299.4111 -42.0098 -11.8003 557145.4959 5.6770 5.4995 PRESSURE: 963000 421.403 -69.4057 -146.84 -69.4052 216.842 -167.662 -146.839 -167.662 215.399 GPRESSURE: 963000 448.352 23.2472 -128.908 -94.8237 235.488 -190.024 -100.761 -170.615 273.999 PRESSAVG: 963000 -10.6092 3.17389 18.0166 3.17385 7.34509 35.8145 18.0165 35.8146 -26.4681 GPRESSAVG: 963000 -10.6287 2.85917 19.337 5.30429 7.50008 37.4788 19.5908 36.5948 -26.6446 TIMING: 963000 CPU: 2796.67, 0.00292443/step Wall: 2796.67, 0.00292443/step, 3.27943 hours remaining, 206.789062 MB of memory in use. ENERGY: 963000 726.0269 2129.1867 1977.2706 106.4200 -206390.5001 18037.8009 0.0000 0.0000 34273.2922 -149140.5028 299.3172 -183413.7950 -149038.7362 299.1605 284.5481 319.2795 556271.8250 -9.9107 -9.9244 PRESSURE: 963200 -146.219 -46.1918 93.1205 -46.1917 122.375 38.3198 93.1218 38.3196 18.1129 GPRESSURE: 963200 -65.014 -31.4331 98.558 9.06649 124.382 36.1499 42.9762 31.8944 50.9178 PRESSAVG: 963200 11.2981 -41.1815 -15.0187 -41.1813 28.4495 -23.1238 -15.0187 -23.1238 0.695995 GPRESSAVG: 963200 11.5659 -42.2442 -15.2251 -43.8499 28.4508 -22.4182 -17.0913 -23.9213 0.763131 TIMING: 963200 CPU: 2797.25, 0.00290516/step Wall: 2797.25, 0.00290516/step, 3.25765 hours remaining, 206.789062 MB of memory in use. ENERGY: 963200 732.9611 2109.3707 1980.9748 109.8110 -205902.1721 17813.0473 0.0000 0.0000 34278.1931 -148877.8142 299.3600 -183156.0073 -148785.3164 299.6260 -1.9101 36.7620 558587.7115 13.4812 13.5933 PRESSURE: 963400 168.167 57.419 -120.352 57.4186 184.662 -169.665 -120.351 -169.666 109.827 GPRESSURE: 963400 226.259 -5.96012 -108.122 153.03 205.878 -165.818 -64.3485 -211.925 129.383 PRESSAVG: 963400 7.06473 -40.1338 -18.757 -40.1338 -19.6004 -67.7429 -18.757 -67.7429 18.8403 GPRESSAVG: 963400 5.6462 -40.0324 -19.1771 -37.4422 -18.6885 -69.0266 -17.7918 -68.1614 19.2568 TIMING: 963400 CPU: 2797.83, 0.00289844/step Wall: 2797.83, 0.00289844/step, 3.24996 hours remaining, 206.789062 MB of memory in use. ENERGY: 963400 722.6089 2142.7526 1980.0540 120.0485 -206526.2071 18156.6256 0.0000 0.0000 34421.6552 -148982.4623 300.6129 -183404.1175 -148891.2258 299.3530 154.2185 187.1734 557570.0214 2.1015 2.0715 PRESSURE: 963600 47.7322 26.6136 5.61375 26.6127 -227.136 -259.029 5.61256 -259.03 10.2572 GPRESSURE: 963600 100.281 -2.70542 4.87452 67.7155 -170.136 -310.532 67.9477 -181.594 -10.5413 PRESSAVG: 963600 29.3273 -0.978973 8.71702 -0.979011 -19.0581 -34.7177 8.71709 -34.7177 37.4495 GPRESSAVG: 963600 31.2028 -0.367261 8.80796 -1.37967 -20.8105 -35.682 8.552 -32.2648 36.271 TIMING: 963600 CPU: 2798.4, 0.00289372/step Wall: 2798.4, 0.00289372/step, 3.24451 hours remaining, 206.992188 MB of memory in use. ENERGY: 963600 736.1036 2077.1526 1979.8625 110.1664 -205889.6044 17767.7354 0.0000 0.0000 34236.2178 -148982.3661 298.9934 -183218.5839 -148886.7201 299.8075 -56.3823 -26.7986 557952.8147 15.9062 15.5544 PRESSURE: 963800 98.7043 -167.754 144.428 -167.754 68.6035 -85.3431 144.429 -85.3424 48.2912 GPRESSURE: 963800 85.706 -151.202 139.588 -147.604 158.591 -107.523 211.882 -36.7229 48.4386 PRESSAVG: 963800 32.4794 -12.8859 -30.6482 -12.8858 -24.639 -31.7139 -30.6482 -31.7139 -29.04 GPRESSAVG: 963800 31.0271 -12.6544 -31.9779 -14.4719 -23.9848 -29.9854 -30.9091 -33.6164 -28.6846 TIMING: 963800 CPU: 2798.98, 0.00289422/step Wall: 2798.98, 0.00289422/step, 3.2449 hours remaining, 206.992188 MB of memory in use. ENERGY: 963800 767.8409 2157.9409 1966.3224 111.6345 -206248.7789 17908.4969 0.0000 0.0000 34305.1988 -149031.3445 299.5958 -183336.5433 -148937.6207 300.3670 71.8664 97.5786 556745.8040 -7.0665 -7.2141 PRESSURE: 964000 -10.7511 113.307 -196.992 113.307 229.448 -94.93 -196.994 -94.9313 137 GPRESSURE: 964000 44.4919 186.271 -185.392 137.808 237.098 -186.151 -188.801 -33.966 174.259 PRESSAVG: 964000 -17.51 15.098 3.13804 15.0979 43.1789 -29.0888 3.13813 -29.0888 -1.75891 GPRESSAVG: 964000 -16.3397 13.3709 4.02093 17.148 42.8525 -30.7478 4.2311 -27.5233 -2.51654 TIMING: 964000 CPU: 2799.56, 0.00288392/step Wall: 2799.56, 0.00288392/step, 3.2332 hours remaining, 206.992188 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: 964000 773.7580 2046.5768 1961.0313 110.9428 -206467.2443 18022.1480 0.0000 0.0000 34463.4558 -149089.3316 300.9779 -183552.7874 -148991.1833 300.3096 118.5657 151.9497 556264.3906 7.9700 7.9987 PRESSURE: 964200 92.6712 -27.888 50.8845 -27.8888 17.2402 188.552 50.8841 188.551 -33.4486 GPRESSURE: 964200 76.8558 -42.6219 96.5501 74.7188 30.6505 156.067 -11.9193 145.594 71.9586 PRESSAVG: 964200 2.24794 51.6091 24.8404 51.609 34.7946 14.4365 24.8403 14.4366 -13.1152 GPRESSAVG: 964200 1.91143 51.3637 25.0276 51.1257 34.2291 16.9476 23.6143 13.314 -12.2766 TIMING: 964200 CPU: 2800.14, 0.0028781/step Wall: 2800.14, 0.0028781/step, 3.22651 hours remaining, 206.992188 MB of memory in use. ENERGY: 964200 735.7916 2057.1815 1976.6293 121.7382 -206287.5872 17809.6624 0.0000 0.0000 34466.8548 -149119.7295 301.0076 -183586.5842 -149023.4803 300.2766 25.4876 59.8217 556483.9244 7.9758 7.9546 LDB: ============= START OF LOAD BALANCING ============== 2803.6 LDB: ============== END OF LOAD BALANCING =============== 2803.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2803.6 LDB: ============= START OF LOAD BALANCING ============== 2803.89 LDB: Largest compute 4827 load 0.027763 is 23.6% of average load 0.117623 LDB: Average compute 0.001732 is 1.5% of average load 0.117623 LDB: TIME 2803.89 LOAD: AVG 0.117623 MAX 0.177196 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.82 MB LDB: TIME 2803.89 LOAD: AVG 0.117623 MAX 0.177196 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.824 MB LDB: TIME 2803.89 LOAD: AVG 0.117623 MAX 0.177196 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.824 MB LDB: ============== END OF LOAD BALANCING =============== 2803.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2803.9 PRESSURE: 964400 75.3007 -68.2484 -48.0043 -68.2472 -81.8587 37.5261 -48.0053 37.5273 -51.172 GPRESSURE: 964400 49.8194 16.609 45.2909 -109.434 -49.9769 -127.098 19.2282 187.438 43.756 PRESSAVG: 964400 -52.2306 24.1576 24.84 24.1575 38.0288 44.2268 24.84 44.2269 -8.7089 GPRESSAVG: 964400 -52.2059 24.193 24.4477 26.7676 39.1442 43.7823 25.8631 45.1201 -9.34362 TIMING: 964400 CPU: 2800.72, 0.00294484/step Wall: 2800.72, 0.00294484/step, 3.30117 hours remaining, 203.691406 MB of memory in use. ENERGY: 964400 727.3698 2163.9762 1963.3513 112.6010 -206060.8421 17675.6620 0.0000 0.0000 34252.6309 -149165.2508 299.1367 -183417.8818 -149069.5532 299.7056 -19.2433 14.5329 556687.1681 -7.6369 -7.4685 PRESSURE: 964600 -40.4347 -53.1953 7.90422 -53.1956 20.6333 -31.3647 7.90335 -31.3625 108.439 GPRESSURE: 964600 34.5076 63.6818 21.2732 -28.5687 84.3046 -81.9856 -29.6115 -6.6566 79.3309 PRESSAVG: 964600 47.6886 5.88947 10.224 5.8894 -93.5028 -5.75913 10.224 -5.75908 46.482 GPRESSAVG: 964600 48.5031 3.60388 9.90648 5.74933 -93.4389 -7.24897 8.69168 -4.01815 45.5835 TIMING: 964600 CPU: 2801.3, 0.00289938/step Wall: 2801.3, 0.00289938/step, 3.25004 hours remaining, 203.890625 MB of memory in use. ENERGY: 964600 757.9204 2095.6893 1952.9231 112.0285 -206299.8308 17895.3948 0.0000 0.0000 34192.5205 -149293.3542 298.6118 -183485.8746 -149200.8999 298.8851 29.5459 66.0477 557572.9998 0.2226 0.2159 PRESSURE: 964800 -109.565 -28.4506 -128.93 -28.45 -75.273 -58.5755 -128.929 -58.5752 -11.928 GPRESSURE: 964800 -100.478 -63.1164 -35.2141 49.6028 -26.4353 -90.4636 -293.279 -33.3483 22.5954 PRESSAVG: 964800 19.2164 4.81499 -20.4516 4.81497 -48.5632 50.3875 -20.4515 50.3873 54.6556 GPRESSAVG: 964800 17.3246 6.85388 -21.3308 2.39412 -49.1573 51.3414 -20.4528 47.5671 56.8402 TIMING: 964800 CPU: 2801.89, 0.0029063/step Wall: 2801.89, 0.00290629/step, 3.25763 hours remaining, 203.890625 MB of memory in use. ENERGY: 964800 720.1645 2096.3096 1963.1652 113.3155 -206027.0546 17755.4136 0.0000 0.0000 34156.0514 -149222.6351 298.2933 -183378.6864 -149118.2143 299.1330 -65.5888 -34.7726 557847.4503 8.4363 8.3358 PRESSURE: 965000 146.677 -115.552 -40.8609 -115.551 77.4647 -114.709 -40.8623 -114.71 224.503 GPRESSURE: 965000 202.957 -90.9957 -38.6337 -92.4796 48.1851 -146.033 25.936 -93.4964 282.841 PRESSAVG: 965000 30.4646 -34.519 -23.3547 -34.519 6.93071 2.32226 -23.3548 2.32231 -36.7523 GPRESSAVG: 965000 31.7025 -33.508 -21.3025 -35.3702 7.40875 3.2644 -21.9987 3.51157 -38.8712 TIMING: 965000 CPU: 2802.47, 0.00292201/step Wall: 2802.47, 0.00292201/step, 3.27508 hours remaining, 203.890625 MB of memory in use. ENERGY: 965000 735.8346 2103.8387 1972.7074 120.3691 -206365.6009 17863.9886 0.0000 0.0000 34454.7787 -149114.0837 300.9022 -183568.8624 -149025.3123 299.3817 149.5482 177.9945 556499.3552 0.2143 0.0800 PRESSURE: 965200 148.601 -65.3228 -85.2963 -65.3217 208.125 17.8989 -85.2955 17.8963 141.367 GPRESSURE: 965200 184.742 -143.226 -7.76317 -86.773 255.475 -16.8296 -156.68 4.72716 149.259 PRESSAVG: 965200 21.0755 -16.2782 -9.25901 -16.2783 -65.2481 -11.1303 -9.25897 -11.1304 -26.6169 GPRESSAVG: 965200 22.349 -17.6711 -9.7111 -15.5584 -66.0087 -14.058 -9.81767 -11.0085 -26.7472 TIMING: 965200 CPU: 2803.06, 0.00293163/step Wall: 2803.06, 0.00293163/step, 3.2857 hours remaining, 203.957031 MB of memory in use. ENERGY: 965200 747.8325 2085.3848 1970.5326 105.2044 -206502.8593 18135.8827 0.0000 0.0000 34362.3724 -149095.6499 300.0951 -183458.0223 -148997.1125 299.3100 166.0313 196.4919 557389.6062 -23.5965 -23.4690 PRESSURE: 965400 -24.5696 142.602 -10.7371 142.602 -3.83376 -69.0842 -10.7373 -69.0854 -112.493 GPRESSURE: 965400 -1.23143 90.4247 -79.1334 160.038 3.61786 -48.8718 -59.3165 -43.9264 -53.8586 PRESSAVG: 965400 38.5258 -50.3572 19.1968 -50.3571 32.1739 6.10169 19.1968 6.10178 -81.5165 GPRESSAVG: 965400 37.7202 -48.8121 18.6594 -52.0136 32.9025 7.90926 18.7305 5.63089 -81.347 TIMING: 965400 CPU: 2803.64, 0.00290958/step Wall: 2803.64, 0.00290958/step, 3.26083 hours remaining, 203.957031 MB of memory in use. ENERGY: 965400 722.8159 2069.1379 1957.6858 136.5514 -205709.4175 17621.6697 0.0000 0.0000 34060.6174 -149140.9394 297.4598 -183201.5568 -149043.2124 299.1122 -46.9656 -17.1574 557918.7164 -3.6056 -3.5748 PRESSURE: 965600 -209.361 -18.1206 81.9696 -18.1207 -81.8421 88.6509 81.9701 88.6491 -179.29 GPRESSURE: 965600 -175.975 -90.8737 72.7085 55.5793 -58.5057 106.403 -29.0701 145.417 -125 PRESSAVG: 965600 38.9301 18.0701 38.7487 18.0701 -8.95329 4.41096 38.7487 4.41091 3.59012 GPRESSAVG: 965600 40.1823 16.6678 38.7971 20.1072 -9.9632 2.36484 39.8313 5.70826 3.65392 TIMING: 965600 CPU: 2804.22, 0.00288837/step Wall: 2804.22, 0.00288837/step, 3.2369 hours remaining, 203.957031 MB of memory in use. ENERGY: 965600 755.5362 2112.0262 1998.8886 115.1195 -206137.2600 17720.4411 0.0000 0.0000 34292.3992 -149142.8492 299.4841 -183435.2484 -149047.8035 299.4081 -156.8308 -119.8269 556210.9738 11.1890 11.2910 PRESSURE: 965800 -47.7187 151.478 82.7077 151.477 -145.736 -124.177 82.7084 -124.178 -90.1272 GPRESSURE: 965800 -16.7952 177.542 122.386 179.603 -146.536 -119.831 42.6631 -155.165 -26.5519 PRESSAVG: 965800 31.6242 -46.1573 48.5659 -46.1573 -5.07011 -28.3389 48.5661 -28.3388 -31.5487 GPRESSAVG: 965800 30.9447 -44.7727 48.1283 -47.3888 -5.51534 -27.4905 46.9837 -28.6232 -30.2656 TIMING: 965800 CPU: 2804.8, 0.00290024/step Wall: 2804.8, 0.00290024/step, 3.25005 hours remaining, 203.957031 MB of memory in use. ENERGY: 965800 744.5082 2131.4362 1992.7450 113.3872 -205716.8699 17599.2330 0.0000 0.0000 34197.4454 -148938.1149 298.6548 -183135.5602 -148842.0689 299.4133 -94.5273 -63.2942 558121.6834 -1.6649 -1.6121 PRESSURE: 966000 -225.162 70.4092 -13.526 70.4095 32.7398 -0.421823 -13.5258 -0.421727 -24.3492 GPRESSURE: 966000 -152.358 18.744 -61.0413 84.7623 106.133 61.1063 -23.2715 -90.9324 -71.8104 PRESSAVG: 966000 16.8616 0.391787 -21.2865 0.391771 -105.137 15.9555 -21.2864 15.9555 44.6464 GPRESSAVG: 966000 16.8379 0.0598865 -21.1863 2.11726 -104.323 17.2341 -20.8752 13.1222 43.3434 TIMING: 966000 CPU: 2805.38, 0.0029145/step Wall: 2805.38, 0.0029145/step, 3.26585 hours remaining, 203.957031 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: 966000 767.0732 2098.0507 1958.6637 117.9706 -206053.1408 17678.4515 0.0000 0.0000 34342.4207 -149090.5103 299.9209 -183432.9311 -148999.0722 299.0110 -72.2572 -39.3452 558027.7822 -14.5428 -14.7139 PRESSURE: 966200 54.7325 8.11204 -78.4531 8.11248 -159.756 -125.353 -78.4519 -125.355 447.059 GPRESSURE: 966200 97.997 5.14493 -84.2873 16.8164 -121.903 -142.672 -72.088 -203.685 471.55 PRESSAVG: 966200 -41.468 27.3576 -17.9294 27.3577 23.887 -9.81332 -17.9294 -9.81333 5.43218 GPRESSAVG: 966200 -40.9324 25.1695 -17.1373 26.1779 23.4936 -10.2489 -17.8345 -8.31573 5.84261 TIMING: 966200 CPU: 2805.96, 0.00289639/step Wall: 2805.96, 0.00289639/step, 3.2454 hours remaining, 203.957031 MB of memory in use. ENERGY: 966200 730.9992 2180.8786 1981.2289 114.9340 -206183.6670 17835.4506 0.0000 0.0000 34208.5606 -149131.6151 298.7519 -183340.1757 -149035.7377 300.4253 114.0117 149.2147 558057.1027 -4.0496 -3.8654 PRESSURE: 966400 152.768 -100.15 34.3696 -100.149 95.1703 69.3706 34.3698 69.3701 -126.925 GPRESSURE: 966400 144.844 -132.334 19.7903 -107.497 136.967 18.7798 16.3505 50.2949 -56.7207 PRESSAVG: 966400 9.43342 21.794 18.1932 21.794 -4.8899 -13.4846 18.1932 -13.4846 37.6587 GPRESSAVG: 966400 8.73518 24.0389 16.1591 23.0657 -4.19023 -12.5096 16.9473 -13.6936 37.9174 TIMING: 966400 CPU: 2806.54, 0.00289922/step Wall: 2806.54, 0.00289922/step, 3.24841 hours remaining, 203.957031 MB of memory in use. ENERGY: 966400 746.0173 2141.5744 1967.1845 125.4166 -206438.1371 18080.1174 0.0000 0.0000 34343.8447 -149033.9821 299.9333 -183377.8268 -148939.7834 300.2636 40.3379 75.0300 558113.2829 14.0674 14.1541 PRESSURE: 966600 -117.306 -142.007 146.647 -142.006 -22.8144 -97.5259 146.647 -97.5275 60.5128 GPRESSURE: 966600 -107.882 -65.5783 196.924 -153.611 21.8657 -112.968 80.6046 -84.05 97.7173 PRESSAVG: 966600 -18.6174 -30.8822 10.1924 -30.8822 38.9403 -18.1982 10.1924 -18.1983 5.59512 GPRESSAVG: 966600 -18.9213 -30.9642 11.4609 -31.8896 39.3559 -20.116 10.2669 -17.0572 5.08707 TIMING: 966600 CPU: 2807.12, 0.00290193/step Wall: 2807.12, 0.00290193/step, 3.25129 hours remaining, 203.957031 MB of memory in use. ENERGY: 966600 774.8645 2127.9407 1964.6023 113.7236 -206100.0849 17817.7946 0.0000 0.0000 34257.2814 -149043.8778 299.1774 -183301.1592 -148951.7218 300.3663 -26.5358 3.9004 558307.1816 8.6393 8.5072 PRESSURE: 966800 150.797 61.43 -4.21204 61.4294 229.282 -145.617 -4.21202 -145.618 -21.701 GPRESSURE: 966800 149.431 104.79 -78.3009 13.3677 301.816 -126.911 52.2642 -199.928 22.9773 PRESSAVG: 966800 -25.1243 6.61027 -2.68348 6.61023 -6.36575 -60.2656 -2.68354 -60.2657 22.5899 GPRESSAVG: 966800 -24.352 7.86892 -2.76857 5.35326 -6.17652 -59.7487 -1.23862 -59.3332 21.9505 TIMING: 966800 CPU: 2807.7, 0.00289622/step Wall: 2807.7, 0.00289622/step, 3.24474 hours remaining, 203.957031 MB of memory in use. ENERGY: 966800 748.2121 2093.0678 1980.7497 113.9252 -206213.2137 17874.6547 0.0000 0.0000 34232.4411 -149170.1630 298.9604 -183402.6042 -149068.5593 299.2083 119.4593 158.0748 556429.6364 -2.9667 -2.8594 PRESSURE: 967000 26.4782 -73.2381 60.4669 -73.2368 -5.6558 -102.574 60.4673 -102.573 98.8665 GPRESSURE: 967000 37.3335 -187.517 53.6856 -84.2706 58.8918 -118.292 101.403 -150.3 121.583 PRESSAVG: 967000 32.2315 -44.6724 18.8583 -44.6724 -1.50977 -24.4944 18.8583 -24.4944 -2.95437 GPRESSAVG: 967000 32.3499 -43.5439 19.5666 -43.6373 -0.9481 -24.98 19.6118 -25.4139 -3.6762 TIMING: 967000 CPU: 2808.28, 0.00289162/step Wall: 2808.28, 0.00289162/step, 3.23942 hours remaining, 203.957031 MB of memory in use. ENERGY: 967000 732.3337 2035.8684 1951.2431 116.4088 -205880.6258 17675.2356 0.0000 0.0000 34120.0427 -149249.4934 297.9788 -183369.5361 -149149.0360 299.0148 39.8963 72.6027 557120.7839 9.2558 9.2419 PRESSURE: 967200 44.5661 -49.4465 198.756 -49.4478 -236.181 82.7251 198.756 82.7255 89.6172 GPRESSURE: 967200 61.3398 -142.266 195.811 23.3509 -132.446 95.1498 198.79 82.7715 74.9946 PRESSAVG: 967200 26.1853 8.35029 31.3921 8.35029 -31.2987 11.3505 31.3921 11.3505 28.3132 GPRESSAVG: 967200 25.1847 7.24826 31.6648 9.52995 -31.0392 12.4938 30.0738 10.9239 28.4169 TIMING: 967200 CPU: 2808.85, 0.00289055/step Wall: 2808.85, 0.00289055/step, 3.23806 hours remaining, 203.957031 MB of memory in use. ENERGY: 967200 765.1270 2117.2723 1936.3199 124.5480 -206180.8740 17744.1565 0.0000 0.0000 34159.5271 -149333.9232 298.3236 -183493.4504 -149241.2326 299.1438 -33.9991 1.2960 557313.2911 7.7333 7.5208 PRESSURE: 967400 57.4437 7.70186 -43.825 7.70253 -36.4419 12.8161 -43.8263 12.8168 71.8015 GPRESSURE: 967400 30.4365 -1.87475 -47.2972 -55.2833 -12.9025 -9.64857 -114.094 -69.9021 159.18 PRESSAVG: 967400 54.5729 -22.8197 84.2048 -22.8197 -9.5988 24.3298 84.2048 24.3299 -4.13159 GPRESSAVG: 967400 54.7994 -23.4819 83.6017 -21.6823 -10.8775 23.0994 86.6652 24.4516 -3.48335 TIMING: 967400 CPU: 2809.43, 0.00289161/step Wall: 2809.43, 0.00289162/step, 3.23909 hours remaining, 203.957031 MB of memory in use. ENERGY: 967400 721.6769 2109.0120 1993.2811 111.6758 -206359.0838 17856.1009 0.0000 0.0000 34235.6255 -149331.7116 298.9882 -183567.3371 -149231.8062 298.5929 30.9344 58.9046 557436.0193 13.6142 13.4795 PRESSURE: 967600 -121.525 109.059 -41.3206 109.06 1.42236 -16.6806 -41.3204 -16.6795 -90.6837 GPRESSURE: 967600 -90.3803 70.1956 -36.9758 81.0041 20.2054 -69.2027 -27.4809 -22.4078 -41.1374 PRESSAVG: 967600 40.8254 39.0683 13.0756 39.0682 -16.7279 -19.7119 13.0756 -19.7119 8.98086 GPRESSAVG: 967600 40.8866 40.0964 14.0957 37.033 -16.333 -19.4028 10.9546 -20.9283 8.57249 TIMING: 967600 CPU: 2810.01, 0.00290474/step Wall: 2810.01, 0.00290474/step, 3.25363 hours remaining, 203.957031 MB of memory in use. ENERGY: 967600 723.5181 2047.3223 1992.9211 115.6695 -206373.7065 17844.0070 0.0000 0.0000 34394.8500 -149255.4186 300.3788 -183650.2686 -149160.8686 298.6244 -70.2621 -37.1041 558418.6934 11.0261 11.0420 PRESSURE: 967800 48.7676 193.782 -19.6183 193.783 97.4637 -138.379 -19.6187 -138.378 -48.0525 GPRESSURE: 967800 106.786 221.784 41.6228 148.621 102.26 -132.167 -56.0267 -95.0482 -4.68956 PRESSAVG: 967800 -25.8955 38.2836 42.9847 38.2836 73.5804 24.7793 42.9846 24.7793 13.1353 GPRESSAVG: 967800 -24.4092 38.4231 41.717 37.8448 72.683 26.1577 43.4521 25.1979 12.7712 TIMING: 967800 CPU: 2810.59, 0.00290002/step Wall: 2810.59, 0.00290002/step, 3.24819 hours remaining, 203.957031 MB of memory in use. ENERGY: 967800 735.0444 2077.6144 1966.8244 100.7922 -206443.3856 17959.5457 0.0000 0.0000 34077.3097 -149526.2548 297.6056 -183603.5645 -149435.1683 299.0844 32.7263 68.1189 556980.6407 20.2734 20.3483 PRESSURE: 968000 -120.24 52.7071 -69.2765 52.7076 -156.808 -12.2345 -69.2764 -12.2335 -312.729 GPRESSURE: 968000 -63.9624 55.9386 -4.73711 27.6783 -170.714 64.6341 -151.892 -102.103 -251.986 PRESSAVG: 968000 -18.4112 10.6537 30.8363 10.6538 -3.1892 23.134 30.8363 23.134 12.6604 GPRESSAVG: 968000 -18.6657 13.247 31.918 9.59524 -2.0135 23.6275 30.1604 22.5526 11.7038 TIMING: 968000 CPU: 2811.17, 0.00289589/step Wall: 2811.17, 0.00289589/step, 3.2434 hours remaining, 203.957031 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: 968000 748.5433 2116.2927 1974.9457 105.2344 -205925.3696 17515.2634 0.0000 0.0000 34101.8210 -149363.2692 297.8197 -183465.0901 -149267.6851 298.3385 -196.5926 -162.2209 557396.8901 -2.9800 -2.9918 PRESSURE: 968200 -103.358 72.7508 1.69655 72.7514 52.447 154.181 1.69549 154.182 220.218 GPRESSURE: 968200 -107.05 97.3312 60.5451 74.8503 96.914 164.148 -36.5628 95.8853 270.4 PRESSAVG: 968200 23.8526 88.3453 -14.2286 88.3454 -107.219 70.9363 -14.2285 70.9363 60.1144 GPRESSAVG: 968200 23.0361 84.2638 -15.5247 90.6852 -107.386 69.337 -13.9579 71.1621 60.8932 TIMING: 968200 CPU: 2811.75, 0.00289326/step Wall: 2811.75, 0.00289326/step, 3.24029 hours remaining, 203.957031 MB of memory in use. ENERGY: 968200 702.4583 2145.5180 1979.1481 108.1793 -206224.6222 17855.1091 0.0000 0.0000 34305.3112 -149128.8983 299.5968 -183434.2094 -149029.9295 298.7754 56.4357 86.7547 557333.2902 -7.7507 -7.8189 LDB: ============= START OF LOAD BALANCING ============== 2815.22 LDB: ============== END OF LOAD BALANCING =============== 2815.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2815.22 LDB: ============= START OF LOAD BALANCING ============== 2815.51 LDB: Largest compute 4827 load 0.026104 is 22.2% of average load 0.117659 LDB: Average compute 0.001732 is 1.5% of average load 0.117659 LDB: TIME 2815.51 LOAD: AVG 0.117659 MAX 0.177781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2815.51 LOAD: AVG 0.117659 MAX 0.177781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.578 MB LDB: TIME 2815.51 LOAD: AVG 0.117659 MAX 0.177781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2815.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2815.52 PRESSURE: 968400 -39.9035 -37.2421 51.4958 -37.2414 -95.4352 82.5979 51.4952 82.5965 -85.6825 GPRESSURE: 968400 18.0359 -126.819 51.6954 -3.74813 -73.2432 45.1023 35.3531 36.835 -74.4432 PRESSAVG: 968400 -5.46825 -7.72498 -49.4443 -7.72494 -28.6622 32.2091 -49.4443 32.209 1.93313 GPRESSAVG: 968400 -6.79746 -7.14516 -49.516 -7.43635 -28.0541 31.0852 -49.6976 32.5271 2.67388 TIMING: 968400 CPU: 2812.34, 0.00295667/step Wall: 2812.34, 0.00295667/step, 3.31114 hours remaining, 203.679688 MB of memory in use. ENERGY: 968400 756.5760 2070.2371 1958.3050 119.6357 -205877.1140 17724.1815 0.0000 0.0000 34068.9009 -149179.2778 297.5322 -183248.1786 -149082.1624 299.2830 -73.6737 -43.2168 559253.7020 -10.7325 -10.7259 PRESSURE: 968600 -55.1207 194.902 -196.679 194.901 125.442 132.973 -196.677 132.973 -156.898 GPRESSURE: 968600 -12.4268 241.847 -110.309 129.14 88.0218 165.203 -242.634 131.271 -68.0591 PRESSAVG: 968600 2.34707 -12.8739 -27.2952 -12.8738 -31.5376 53.5329 -27.2953 53.5329 -1.36491 GPRESSAVG: 968600 3.10127 -10.346 -26.8888 -14.4344 -32.0745 53.3331 -25.5676 54.556 -2.04925 TIMING: 968600 CPU: 2812.93, 0.00292368/step Wall: 2812.93, 0.00292368/step, 3.27403 hours remaining, 204.085938 MB of memory in use. ENERGY: 968600 777.7208 2087.2543 1973.4019 112.8145 -206056.5520 17779.9857 0.0000 0.0000 34211.2209 -149114.1539 298.7751 -183325.3748 -149021.9313 298.8472 -28.8589 2.5120 557548.0179 -10.1851 -10.3408 PRESSURE: 968800 112.205 167.207 45.8063 167.206 -184.901 47.6667 45.8076 47.6668 98.6143 GPRESSURE: 968800 141.885 140.446 39.084 165.255 -168.098 47.3552 84.5508 70.4005 136.367 PRESSAVG: 968800 20.8966 4.55653 -37.9408 4.55653 -17.2991 33.5448 -37.9407 33.5448 36.62 GPRESSAVG: 968800 21.1368 4.37653 -37.48 4.53795 -17.5407 35.4358 -39.8765 32.1528 35.9752 TIMING: 968800 CPU: 2813.51, 0.00289767/step Wall: 2813.51, 0.00289767/step, 3.24475 hours remaining, 204.085938 MB of memory in use. ENERGY: 968800 726.9666 2084.2202 1957.9484 113.5099 -206150.8232 17746.0979 0.0000 0.0000 34506.8658 -149015.2143 301.3570 -183522.0802 -148923.8070 299.5338 8.6395 36.7178 557744.4754 13.4058 13.1904 PRESSURE: 969000 -212.993 24.5467 162.174 24.5459 -160.975 -103.851 162.173 -103.852 140.4 GPRESSURE: 969000 -251.759 56.8806 105.185 -96.594 -130.721 -67.2437 197.629 -67.6735 234.423 PRESSAVG: 969000 -7.0859 -6.33248 31.5902 -6.33248 -31.7614 29.7423 31.5902 29.7425 45.4944 GPRESSAVG: 969000 -7.79057 -7.8694 31.6331 -3.63485 -32.477 28.1012 33.5053 31.4477 47.018 TIMING: 969000 CPU: 2814.09, 0.00289262/step Wall: 2814.09, 0.00289262/step, 3.23893 hours remaining, 204.085938 MB of memory in use. ENERGY: 969000 731.3666 2077.0119 1986.1133 104.8795 -206150.3568 17726.4125 0.0000 0.0000 34222.5510 -149302.0220 298.8740 -183524.5730 -149203.3467 298.9077 -77.8560 -49.3523 557957.1938 2.2157 2.2501 PRESSURE: 969200 -123.005 70.4393 -3.81674 70.4395 -93.6889 -72.4122 -3.81647 -72.4119 -101.364 GPRESSURE: 969200 -46.3565 62.878 -22.4287 -36.191 -77.173 -75.3732 1.10443 -81.1283 -83.469 PRESSAVG: 969200 29.8077 -71.2249 12.9035 -71.2248 -64.0866 -11.1398 12.9035 -11.1399 47.1451 GPRESSAVG: 969200 31.198 -71.3262 12.7177 -73.0381 -64.2683 -11.066 12.2437 -11.8803 46.2084 TIMING: 969200 CPU: 2814.66, 0.00287256/step Wall: 2814.66, 0.00287256/step, 3.21631 hours remaining, 204.085938 MB of memory in use. ENERGY: 969200 733.8923 2148.2229 1956.1288 115.0824 -206112.5423 17669.1531 0.0000 0.0000 34125.8635 -149364.1993 298.0297 -183490.0627 -149277.7916 298.9551 -106.0192 -68.9995 558028.4865 4.2887 4.3794 PRESSURE: 969400 123.291 72.5031 220.382 72.503 68.9139 -49.5092 220.382 -49.5093 99.7421 GPRESSURE: 969400 153.602 130.604 147.943 12.2472 124.092 -67.0947 241.571 -36.5731 120.874 PRESSAVG: 969400 17.518 45.6692 -47.6218 45.6693 -30.1937 3.98231 -47.6217 3.98228 0.978892 GPRESSAVG: 969400 17.7146 46.5554 -47.3687 44.9621 -30.6727 5.6226 -48.3141 3.09168 1.04156 TIMING: 969400 CPU: 2815.24, 0.00287676/step Wall: 2815.24, 0.00287676/step, 3.22085 hours remaining, 204.085938 MB of memory in use. ENERGY: 969400 746.5026 2102.0139 1963.4711 114.1634 -206477.5324 17985.5839 0.0000 0.0000 34175.4883 -149390.3092 298.4630 -183565.7975 -149290.6936 298.9682 97.3157 132.8559 556646.6353 -3.8989 -3.9722 PRESSURE: 969600 -148.272 56.3419 27.7955 56.3419 -156.581 -153.92 27.7939 -153.919 -13.2975 GPRESSURE: 969600 -72.7534 110.038 13.3546 -14.9979 -168.121 -160.368 109.992 -181.041 36.582 PRESSAVG: 969600 33.1624 -25.0901 -30.9552 -25.0901 -22.7972 8.22175 -30.9552 8.22178 -6.9743 GPRESSAVG: 969600 32.3976 -25.9956 -29.9226 -22.9583 -23.1063 6.30615 -30.0001 8.69514 -6.91393 TIMING: 969600 CPU: 2815.81, 0.00287504/step Wall: 2815.81, 0.00287504/step, 3.21877 hours remaining, 204.085938 MB of memory in use. ENERGY: 969600 756.0742 2122.0738 1975.3354 88.9887 -206391.8448 17803.3545 0.0000 0.0000 34091.7583 -149554.2599 297.7318 -183646.0182 -149447.8663 298.3824 -106.0502 -68.0975 556561.4279 1.1303 0.7925 PRESSURE: 969800 113.579 128.389 -64.9214 128.388 99.8914 -29.2378 -64.9216 -29.2373 155.223 GPRESSURE: 969800 130.186 183.266 -17.7107 46.7057 130.553 -5.60963 -60.1396 -58.3651 207.245 PRESSAVG: 969800 11.1937 33.7676 -68.9442 33.7676 -3.02237 -14.8947 -68.9443 -14.8947 4.56321 GPRESSAVG: 969800 10.5538 33.5324 -71.4367 32.1578 -2.9282 -13.5805 -68.6763 -15.3985 4.57097 TIMING: 969800 CPU: 2816.39, 0.0028987/step Wall: 2816.39, 0.0028987/step, 3.2451 hours remaining, 204.085938 MB of memory in use. ENERGY: 969800 755.4752 2081.0887 1973.9863 126.6882 -206791.9504 18139.9440 0.0000 0.0000 34148.7982 -149565.9698 298.2299 -183714.7680 -149462.7312 298.8936 122.8978 155.9947 555777.5941 4.2449 4.0655 PRESSURE: 970000 163.903 -79.6488 -97.9851 -79.6487 48.033 -42.6215 -97.9848 -42.6203 70.5914 GPRESSURE: 970000 99.815 -134.094 -58.2134 -23.463 119.965 -87.8606 -72.5601 -13.1755 158.188 PRESSAVG: 970000 -24.3219 73.9635 -8.04681 73.9635 7.66537 3.62596 -8.04671 3.62585 36.0556 GPRESSAVG: 970000 -25.6165 74.6407 -6.38154 73.6995 8.64324 2.70549 -8.34187 4.33542 34.98 TIMING: 970000 CPU: 2816.97, 0.00290465/step Wall: 2816.97, 0.00290465/step, 3.2516 hours remaining, 204.085938 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: 970000 742.1879 2102.5726 2004.1279 109.8857 -206689.2100 17878.4048 0.0000 0.0000 34296.2061 -149555.8250 299.5173 -183852.0311 -149462.0043 298.3842 94.1757 125.9892 555632.4997 6.4664 6.0022 PRESSURE: 970200 -80.8414 -8.47701 -52.7046 -8.47657 44.0075 195.483 -52.7041 195.484 -266.181 GPRESSURE: 970200 -36.0511 -26.9746 -88.3694 -25.738 74.026 186.41 -31.7315 154.073 -238.485 PRESSAVG: 970200 32.7802 20.383 3.03734 20.3829 -14.323 -3.23703 3.03743 -3.23698 -43.8632 GPRESSAVG: 970200 33.9621 21.3198 3.30302 20.4389 -15.77 -2.91784 3.20593 -1.77304 -44.0984 TIMING: 970200 CPU: 2817.55, 0.00289568/step Wall: 2817.55, 0.00289568/step, 3.24139 hours remaining, 204.085938 MB of memory in use. ENERGY: 970200 717.9581 2134.3080 1979.0783 112.8648 -206309.9286 17704.2917 0.0000 0.0000 34120.0001 -149541.4276 297.9784 -183661.4278 -149439.0024 299.3070 -101.0050 -66.8366 556782.4795 -8.4687 -8.6354 PRESSURE: 970400 -89.9663 -5.38672 125.261 -5.38616 50.2474 -114.052 125.262 -114.055 -61.6773 GPRESSURE: 970400 12.2307 -6.70394 175.566 87.0569 7.0317 -84.9458 90.0422 -20.5021 -20.4626 PRESSAVG: 970400 4.35858 29.7329 0.757837 29.7329 42.1958 -17.253 0.757933 -17.2531 -41.3871 GPRESSAVG: 970400 4.41217 29.9094 -0.277263 28.9357 41.4938 -16.199 0.0445001 -17.5546 -40.8018 TIMING: 970400 CPU: 2818.13, 0.00289563/step Wall: 2818.13, 0.00289563/step, 3.24118 hours remaining, 204.085938 MB of memory in use. ENERGY: 970400 745.5869 2101.3653 1991.4871 118.5524 -206687.7227 17992.2896 0.0000 0.0000 34360.7583 -149377.6832 300.0810 -183738.4415 -149282.1031 299.3670 -33.7987 -0.4001 558199.0120 1.7224 1.7014 PRESSURE: 970600 -60.3261 -3.14121 -50.9574 -3.14057 -242.545 35.0055 -50.9592 35.0043 -169.168 GPRESSURE: 970600 -81.8502 64.3704 1.79593 -45.9846 -183.697 155.728 -25.8311 -70.281 -104.561 PRESSAVG: 970600 47.2482 -35.2351 -9.77267 -35.2351 49.676 12.4604 -9.77279 12.4604 -73.3012 GPRESSAVG: 970600 47.1622 -36.4461 -8.53991 -35.0094 50.5028 13.3614 -7.90003 10.3807 -74.0054 TIMING: 970600 CPU: 2818.71, 0.00289374/step Wall: 2818.71, 0.00289374/step, 3.2389 hours remaining, 204.085938 MB of memory in use. ENERGY: 970600 749.9286 2097.1345 1994.0600 108.8123 -206385.5378 17716.9183 0.0000 0.0000 34311.2904 -149407.3938 299.6490 -183718.6842 -149316.4098 299.1688 -157.3464 -123.3693 558601.8432 7.8744 7.8865 PRESSURE: 970800 -180.959 -59.9857 50.7333 -59.9853 -78.3058 48.5376 50.7337 48.5369 49.6334 GPRESSURE: 970800 -90.9163 -78.1218 50.1738 -38.3698 -34.9406 113.595 13.7927 11.3565 1.64024 PRESSAVG: 970800 70.4679 -61.3043 47.4662 -61.3043 -49.7657 -55.1495 47.4662 -55.1493 -41.5528 GPRESSAVG: 970800 70.5488 -60.8467 47.5267 -60.3701 -50.9794 -55.0617 47.8291 -54.2664 -40.8565 TIMING: 970800 CPU: 2819.29, 0.00291037/step Wall: 2819.29, 0.00291037/step, 3.25735 hours remaining, 204.085938 MB of memory in use. ENERGY: 970800 768.4516 2132.0296 1971.1751 123.0663 -206431.5716 17884.5326 0.0000 0.0000 34188.8902 -149363.4263 298.5801 -183552.3165 -149264.9403 298.4635 -69.8771 -41.4056 558192.9492 -6.9502 -7.0957 PRESSURE: 971000 -76.173 64.4841 -138.895 64.4836 27.6129 -75.4726 -138.894 -75.4719 -132.55 GPRESSURE: 971000 -81.8817 102.476 -222.425 9.10543 65.5348 -58.9394 -113.851 -103.303 -47.0351 PRESSAVG: 971000 55.0905 42.0816 -14.1293 42.0815 -47.364 40.8095 -14.1292 40.8097 -1.8819 GPRESSAVG: 971000 54.6584 42.5998 -15.468 41.2455 -46.7858 41.2234 -14.677 40.258 -2.0121 TIMING: 971000 CPU: 2819.87, 0.0029075/step Wall: 2819.87, 0.0029075/step, 3.25398 hours remaining, 204.085938 MB of memory in use. ENERGY: 971000 773.4260 2079.6286 1968.0051 109.4215 -206610.0162 17962.5138 0.0000 0.0000 34267.3072 -149449.7139 299.2649 -183717.0211 -149351.9223 299.0106 -60.3700 -21.1273 557206.9755 1.9482 1.9535 PRESSURE: 971200 -161.779 77.5968 5.53694 77.5971 -72.2783 -66.1047 5.53682 -66.1054 -185.433 GPRESSURE: 971200 -150.19 22.7962 -7.22752 44.1855 -25.1643 -94.8343 -6.52225 -100.668 -152.272 PRESSAVG: 971200 2.38837 -10.1575 -8.44299 -10.1575 26.843 -88.5617 -8.44306 -88.5617 1.11083 GPRESSAVG: 971200 2.3472 -10.7818 -7.51296 -9.75112 26.2692 -88.4997 -9.9 -87.7707 1.84353 TIMING: 971200 CPU: 2820.46, 0.00291822/step Wall: 2820.46, 0.00291822/step, 3.26581 hours remaining, 204.085938 MB of memory in use. ENERGY: 971200 708.1276 2088.6115 1997.8684 106.9645 -206257.7853 17640.1814 0.0000 0.0000 34192.6721 -149523.3599 298.6131 -183716.0320 -149418.1539 298.5595 -139.8302 -109.2088 557723.8698 10.1141 10.1533 PRESSURE: 971400 200.369 -87.2245 70.2291 -87.224 -223.54 19.2724 70.2284 19.2734 -96.6463 GPRESSURE: 971400 218.896 -64.8218 41.7257 -34.2197 -194.59 -22.2461 32.3914 97.6377 -44.1167 PRESSAVG: 971400 -63.2109 -36.8216 6.71298 -36.8217 35.1007 -22.9534 6.71295 -22.9535 0.284224 GPRESSAVG: 971400 -63.5695 -35.8153 6.17973 -36.6596 36.956 -23.4857 6.21211 -22.9612 -0.82028 TIMING: 971400 CPU: 2821.04, 0.00290558/step Wall: 2821.04, 0.00290558/step, 3.25151 hours remaining, 204.085938 MB of memory in use. ENERGY: 971400 749.2305 2146.4097 1980.0282 127.2513 -206847.2936 18009.9262 0.0000 0.0000 34367.5770 -149466.8706 300.1406 -183834.4477 -149370.6739 298.9144 -39.9389 -6.6034 557758.0383 -9.2753 -9.1446 PRESSURE: 971600 86.5322 26.4483 22.3503 26.4483 131.698 51.5926 22.351 51.5921 303.397 GPRESSURE: 971600 138.475 6.5178 -64.3659 -13.0909 113.557 37.3825 94.037 58.1614 376.589 PRESSAVG: 971600 -78.7477 -36.8774 34.0095 -36.8774 17.6407 37.1913 34.0096 37.1914 46.6017 GPRESSAVG: 971600 -77.9627 -38.3704 36.2422 -38.8564 18.1106 37.7322 35.1967 35.582 46.0504 TIMING: 971600 CPU: 2821.62, 0.00293283/step Wall: 2821.62, 0.00293283/step, 3.28183 hours remaining, 204.085938 MB of memory in use. ENERGY: 971600 759.9682 2012.4338 1968.9440 115.7755 -206878.6913 18249.4402 0.0000 0.0000 34093.7010 -149678.4285 297.7488 -183772.1295 -149582.6334 297.8014 173.8756 209.5403 557224.9205 -4.8351 -4.6005 PRESSURE: 971800 52.5627 6.5695 120.836 6.56848 53.9194 -115.244 120.835 -115.243 37.6483 GPRESSURE: 971800 27.5113 -48.786 207.016 -65.7938 112.796 -160.969 56.7968 -75.8631 107.019 PRESSAVG: 971800 -80.2814 0.973225 -3.48448 0.973131 37.1999 -33.3936 -3.48446 -33.3936 55.1796 GPRESSAVG: 971800 -81.2232 1.18136 -5.02792 2.89004 36.2957 -33.7778 -4.38346 -33.5739 57.3446 TIMING: 971800 CPU: 2822.2, 0.00290775/step Wall: 2822.2, 0.00290775/step, 3.25361 hours remaining, 204.085938 MB of memory in use. ENERGY: 971800 737.0155 2080.4719 1973.6314 110.7045 -206696.1503 17933.5958 0.0000 0.0000 34232.5349 -149628.1963 298.9612 -183860.7312 -149530.2515 298.5015 48.0435 82.4422 556397.8774 4.0327 4.1390 PRESSURE: 972000 -207.109 38.0791 94.0268 38.079 -8.52244 -45.5436 94.0277 -45.5442 -195.481 GPRESSURE: 972000 -226.292 37.3756 121.072 71.3725 52.9009 -116.12 47.6303 -13.7516 -134.242 PRESSAVG: 972000 -28.0423 -9.84096 -29.7003 -9.84108 -0.936031 -15.6823 -29.7002 -15.6824 25.0639 GPRESSAVG: 972000 -27.4878 -9.13565 -31.3196 -9.02231 -1.37978 -17.3667 -29.4602 -14.0439 24.534 TIMING: 972000 CPU: 2822.79, 0.00290282/step Wall: 2822.79, 0.00290282/step, 3.24793 hours remaining, 204.085938 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: 972000 760.3398 2110.4792 1976.1849 110.0251 -206634.3651 17721.0090 0.0000 0.0000 34230.3731 -149725.9539 298.9424 -183956.3271 -149628.5927 297.5618 -137.0376 -102.5443 557025.8884 -1.3048 -1.4445 PRESSURE: 972200 15.2011 55.3502 -109.894 55.3502 -154.414 23.4373 -109.893 23.4391 57.9582 GPRESSURE: 972200 30.11 75.8557 -141.951 9.63466 -113.897 -41.9273 4.54654 104.601 99.7471 PRESSAVG: 972200 34.3362 -55.9902 -41.2396 -55.9901 -10.3737 -23.0335 -41.2395 -23.0334 -36.8458 GPRESSAVG: 972200 34.357 -56.3531 -39.3854 -57.3854 -9.86752 -20.637 -40.7782 -23.6912 -37.7027 TIMING: 972200 CPU: 2823.37, 0.00290013/step Wall: 2823.37, 0.00290013/step, 3.24477 hours remaining, 204.085938 MB of memory in use. ENERGY: 972200 758.3404 2060.0966 1992.3203 111.3991 -206646.7195 17850.8781 0.0000 0.0000 34123.9447 -149749.7404 298.0129 -183873.6850 -149650.1860 297.8433 -27.0850 5.3199 555201.7253 -4.2944 -4.4044 LDB: ============= START OF LOAD BALANCING ============== 2826.83 LDB: ============== END OF LOAD BALANCING =============== 2826.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2826.83 LDB: ============= START OF LOAD BALANCING ============== 2827.12 LDB: Largest compute 4820 load 0.026353 is 22.4% of average load 0.117603 LDB: Average compute 0.001729 is 1.5% of average load 0.117603 LDB: TIME 2827.12 LOAD: AVG 0.117603 MAX 0.1783 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.73 MB LDB: TIME 2827.12 LOAD: AVG 0.117603 MAX 0.1783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: TIME 2827.13 LOAD: AVG 0.117603 MAX 0.1783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2827.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2827.13 PRESSURE: 972400 -142.608 -40.9717 12.4131 -40.9717 -380.183 -68.0249 12.4135 -68.0258 -103.966 GPRESSURE: 972400 -68.8734 -41.9205 -69.2491 -139.004 -391.18 -117.409 119.775 -48.9793 -67.0067 PRESSAVG: 972400 42.2647 -56.3436 -15.1069 -56.3436 -89.3702 -93.1968 -15.1071 -93.1968 22.0682 GPRESSAVG: 972400 40.6028 -56.4622 -14.4003 -57.8805 -89.9264 -93.3789 -16.5162 -92.3591 24.0638 TIMING: 972400 CPU: 2823.96, 0.00295299/step Wall: 2823.96, 0.002953/step, 3.30375 hours remaining, 203.609375 MB of memory in use. ENERGY: 972400 743.2722 2120.0854 1984.6385 116.5330 -206133.6350 17491.6960 0.0000 0.0000 34121.7346 -149555.6753 297.9936 -183677.4099 -149463.8433 297.2806 -208.9192 -175.6867 556281.7380 -8.3458 -8.4199 PRESSURE: 972600 -97.8606 164.961 105.392 164.961 58.8596 -33.19 105.392 -33.191 -214.757 GPRESSURE: 972600 -65.4007 103.582 143.977 173.832 114.542 -145.493 88.0702 -35.3523 -212.36 PRESSAVG: 972600 -17.1643 8.15192 -5.23138 8.15193 -44.6419 -5.24715 -5.23123 -5.2471 52.3118 GPRESSAVG: 972600 -16.4778 8.86156 -6.25953 7.97535 -45.6897 -5.30485 -3.12946 -5.67188 51.91 TIMING: 972600 CPU: 2824.53, 0.00287796/step Wall: 2824.53, 0.00287796/step, 3.21964 hours remaining, 203.609375 MB of memory in use. ENERGY: 972600 752.8574 2041.8213 1989.0575 117.7990 -206377.4143 17751.9694 0.0000 0.0000 34128.7117 -149595.1980 298.0545 -183723.9097 -149500.7506 298.3355 -84.5861 -54.4060 557142.4463 -3.1648 -3.4192 PRESSURE: 972800 -344.02 -86.2041 175.329 -86.2034 -39.8679 -0.45439 175.33 -0.453322 -117.395 GPRESSURE: 972800 -336.799 -80.7404 110.222 -92.3592 -7.13856 55.492 188.618 61.7589 -56.0552 PRESSAVG: 972800 -70.3721 13.0132 13.1035 13.0131 49.172 -18.8294 13.1036 -18.8294 -7.012 GPRESSAVG: 972800 -69.9789 11.7055 11.8697 15.5632 50.5828 -20.6722 12.427 -19.4802 -8.88284 TIMING: 972800 CPU: 2825.11, 0.00289045/step Wall: 2825.11, 0.00289045/step, 3.23345 hours remaining, 203.910156 MB of memory in use. ENERGY: 972800 772.9391 2086.1589 1969.5811 115.6612 -205997.2623 17661.3165 0.0000 0.0000 34025.1041 -149366.5014 297.1497 -183391.6056 -149267.5077 298.4234 -167.0942 -133.3309 557795.2694 -9.4040 -9.4263 PRESSURE: 973000 77.289 0.31998 99.4344 0.319449 -19.5973 -36.6304 99.4341 -36.6289 -69.5737 GPRESSURE: 973000 83.1137 -40.4706 45.2775 1.9376 -14.1414 -104.027 138.103 -50.1719 12.5536 PRESSAVG: 973000 35.8314 -42.6012 1.0682 -42.6013 -0.190553 -20.2589 1.06825 -20.2589 -56.084 GPRESSAVG: 973000 36.8464 -41.3926 -0.237573 -44.3795 -2.17799 -19.1987 1.32545 -20.8024 -55.5598 TIMING: 973000 CPU: 2825.69, 0.00288864/step Wall: 2825.69, 0.00288864/step, 3.23126 hours remaining, 203.910156 MB of memory in use. ENERGY: 973000 775.3339 2027.9215 1976.4723 112.4363 -206164.4489 17766.1109 0.0000 0.0000 34178.0043 -149328.1697 298.4850 -183506.1740 -149238.6075 298.2197 -3.9607 27.1753 556984.7949 -6.8144 -6.9638 PRESSURE: 973200 201.625 50.8607 52.9118 50.8615 7.16355 79.1426 52.9117 79.1437 -55.7442 GPRESSURE: 973200 199.816 41.3768 8.8513 -60.637 19.1782 84.3307 138.428 40.5518 32.4954 PRESSAVG: 973200 22.6638 17.5441 -1.90436 17.544 -8.85063 -13.867 -1.90444 -13.867 5.65204 GPRESSAVG: 973200 23.0537 15.8845 1.29179 16.8753 -7.75874 -13.8021 -3.51118 -13.5179 4.00839 TIMING: 973200 CPU: 2826.27, 0.00289596/step Wall: 2826.27, 0.00289596/step, 3.23929 hours remaining, 203.910156 MB of memory in use. ENERGY: 973200 738.4427 2092.5519 1972.4294 120.0910 -206139.6976 17710.5501 0.0000 0.0000 34191.0785 -149314.5540 298.5992 -183505.6325 -149218.0001 298.7972 51.0149 83.8300 555590.2587 6.4884 6.4344 PRESSURE: 973400 191.968 200.626 -61.6333 200.628 49.5115 27.8706 -61.6342 27.8702 283.574 GPRESSURE: 973400 194.7 254.226 -92.2772 258.964 83.0112 21.4228 -28.3444 -30.3784 340.007 PRESSAVG: 973400 49.8453 18.8325 3.05903 18.8326 -13.1864 -8.42275 3.059 -8.42276 -38.5877 GPRESSAVG: 973400 49.2563 19.534 2.00708 19.2871 -13.1574 -9.88214 3.72069 -7.9984 -37.3129 TIMING: 973400 CPU: 2826.84, 0.00288345/step Wall: 2826.84, 0.00288345/step, 3.22513 hours remaining, 203.941406 MB of memory in use. ENERGY: 973400 752.6811 2052.8570 1976.5678 117.7752 -206590.2765 18023.6174 0.0000 0.0000 34248.8490 -149417.9289 299.1037 -183666.7779 -149319.1908 299.3070 175.0180 205.9061 555043.8307 -0.6429 -0.4046 PRESSURE: 973600 -63.7427 42.3424 158.793 42.3431 105.506 -29.672 158.792 -29.6726 109.901 GPRESSURE: 973600 -35.4446 55.581 111.355 29.6282 165.847 -33.3722 111.913 -68.6633 122.885 PRESSAVG: 973600 0.608741 3.90475 7.16094 3.90472 17.5989 -44.0682 7.16085 -44.0682 -8.43277 GPRESSAVG: 973600 0.49533 5.39505 7.57416 4.78858 17.6579 -41.9309 7.20704 -41.3099 -8.04167 TIMING: 973600 CPU: 2827.42, 0.00290355/step Wall: 2827.42, 0.00290355/step, 3.24746 hours remaining, 203.941406 MB of memory in use. ENERGY: 973600 751.1211 2140.7552 1969.8509 109.7944 -206424.1520 17781.0034 0.0000 0.0000 34145.1273 -149526.4998 298.1979 -183671.6271 -149436.0873 297.9454 50.5546 84.4293 555727.8208 3.2583 3.3705 PRESSURE: 973800 359.946 -23.9979 -42.4789 -23.9997 128.3 -145.955 -42.4785 -145.955 156.299 GPRESSURE: 973800 401.306 -32.4161 -69.584 -69.2496 191.96 -186.292 -26.5333 -111.983 155.362 PRESSAVG: 973800 34.9735 10.1014 27.3311 10.1013 -26.5602 15.1396 27.3311 15.1397 -24.7781 GPRESSAVG: 973800 35.1456 8.54651 27.931 10.7768 -26.4112 14.3005 28.6911 12.0368 -25.3688 TIMING: 973800 CPU: 2828.01, 0.0029071/step Wall: 2828.01, 0.0029071/step, 3.25126 hours remaining, 203.941406 MB of memory in use. ENERGY: 973800 759.4444 2125.4050 1962.7340 111.7048 -206904.4208 18347.8830 0.0000 0.0000 34059.4270 -149537.8226 297.4494 -183597.2496 -149448.0551 298.2269 214.8482 249.5426 556390.0591 -5.4549 -5.5448 PRESSURE: 974000 -34.8162 -18.2311 -19.5506 -18.2306 -475.63 -80.1127 -19.5492 -80.1124 105.547 GPRESSURE: 974000 -24.4369 -13.6888 2.22439 -23.0859 -391.161 -61.4341 44.8554 -9.84989 100.282 PRESSAVG: 974000 8.20317 -0.260068 -0.0677055 -0.260055 19.2763 23.5451 -0.067763 23.5452 -68.4221 GPRESSAVG: 974000 9.03996 0.739981 0.273748 -1.91002 18.8554 25.1143 -1.31744 22.6351 -67.948 TIMING: 974000 CPU: 2828.58, 0.0028962/step Wall: 2828.58, 0.0028962/step, 3.23892 hours remaining, 203.941406 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: 974000 758.1831 2102.1871 1956.3809 110.2311 -206712.4833 17908.1333 0.0000 0.0000 34429.9308 -149447.4370 300.6851 -183877.3678 -149347.9561 298.4532 -134.9661 -105.1053 557398.9689 -13.6475 -13.3509 PRESSURE: 974200 120.295 26.3902 94.1526 26.3887 51.4458 -9.30377 94.1531 -9.30365 -184.837 GPRESSURE: 974200 110.11 32.5357 69.5003 -36.8836 83.5395 4.82986 84.3025 -27.6233 -113.381 PRESSAVG: 974200 45.8594 -60.7357 18.7419 -60.7355 25.3371 1.81534 18.742 1.81531 -45.2779 GPRESSAVG: 974200 44.3837 -62.4433 17.8775 -59.7578 26.7222 1.14199 19.706 1.52045 -45.1815 TIMING: 974200 CPU: 2829.16, 0.00289515/step Wall: 2829.16, 0.00289515/step, 3.23758 hours remaining, 203.941406 MB of memory in use. ENERGY: 974200 786.4394 2068.1456 1974.3175 116.5621 -206789.4715 18068.3299 0.0000 0.0000 34206.7476 -149568.9295 298.7360 -183775.6770 -149471.4642 298.9886 -4.3651 26.7562 556534.5929 8.6395 8.6415 PRESSURE: 974400 -67.0389 -5.65847 190.773 -5.65825 -128.85 -162.808 190.772 -162.805 -89.6531 GPRESSURE: 974400 -10.0131 16.6683 183.045 -80.7154 -56.6128 -125.856 156.06 -153.59 -112.754 PRESSAVG: 974400 -25.7835 25.2775 9.13482 25.2774 59.3299 -20.6851 9.13477 -20.6851 -21.8649 GPRESSAVG: 974400 -26.2366 26.5816 8.21225 25.7457 58.9058 -19.1366 7.6241 -19.4015 -20.9499 TIMING: 974400 CPU: 2829.74, 0.0028849/step Wall: 2829.74, 0.0028849/step, 3.22596 hours remaining, 203.941406 MB of memory in use. ENERGY: 974400 756.6011 2084.3347 1983.8653 116.2376 -206481.0543 17776.3290 0.0000 0.0000 34077.8440 -149685.8427 297.6103 -183763.6867 -149587.5328 297.8360 -95.1807 -59.7932 556707.5029 3.8938 3.9064 PRESSURE: 974600 119.969 -5.00612 -31.0079 -5.00373 -114.717 28.5034 -31.0077 28.5014 -78.2794 GPRESSURE: 974600 76.3553 -80.6805 -39.5864 -21.1747 -51.6236 44.1968 -12.0269 47.4823 -0.694873 PRESSAVG: 974600 53.8509 -13.7487 23.0669 -13.7488 3.66927 -17.0874 23.0669 -17.0874 -18.0945 GPRESSAVG: 974600 54.8445 -15.5844 22.1258 -12.4066 2.9573 -20.2029 24.2677 -16.2357 -18.2791 TIMING: 974600 CPU: 2830.32, 0.00289823/step Wall: 2830.32, 0.00289823/step, 3.2407 hours remaining, 203.941406 MB of memory in use. ENERGY: 974600 759.5899 2091.2394 1991.5424 113.2201 -206571.8612 17847.6457 0.0000 0.0000 34041.1846 -149727.4390 297.2901 -183768.6236 -149624.9577 298.2391 -24.3425 8.0123 556037.4331 13.1419 13.1742 PRESSURE: 974800 109.243 12.4784 -186.78 12.4788 -21.2366 -68.1403 -186.78 -68.1401 138.16 GPRESSURE: 974800 181.402 40.9336 -197.998 -65.8268 16.9906 59.0111 -174.913 -144.512 130.626 PRESSAVG: 974800 -16.4042 24.8962 -17.3115 24.8962 17.3577 -67.5682 -17.3114 -67.5684 3.65994 GPRESSAVG: 974800 -15.8074 26.6082 -16.0132 24.7975 17.9099 -66.0557 -18.5088 -68.3529 2.73367 TIMING: 974800 CPU: 2830.9, 0.00290287/step Wall: 2830.9, 0.00290287/step, 3.24573 hours remaining, 203.941406 MB of memory in use. ENERGY: 974800 743.1649 2066.0031 1971.5258 127.3897 -206484.1525 17883.2491 0.0000 0.0000 34087.6766 -149605.1434 297.6962 -183692.8200 -149517.3098 297.7548 75.3889 109.6730 555353.2300 1.5378 1.6121 PRESSURE: 975000 55.0281 38.5532 -101.856 38.5525 -32.6336 -93.5099 -101.855 -93.5093 -205.381 GPRESSURE: 975000 117.132 104.958 -141.968 51.251 -8.93544 -60.0338 -54.4962 -104.686 -196.311 PRESSAVG: 975000 -23.5874 24.4503 -70.3709 24.4503 31.7632 15.6962 -70.3709 15.6962 -5.43253 GPRESSAVG: 975000 -23.5216 24.8154 -70.2025 22.1975 32.4065 16.2787 -68.4156 16.5104 -5.63128 TIMING: 975000 CPU: 2831.48, 0.00290699/step Wall: 2831.48, 0.00290699/step, 3.25018 hours remaining, 203.941406 MB of memory in use. ENERGY: 975000 765.5088 2057.5520 1986.4171 121.2350 -206293.6123 17821.6773 0.0000 0.0000 34021.2472 -149519.9748 297.1160 -183541.2220 -149423.3412 297.7906 -60.9956 -29.3715 556347.4463 0.9144 1.0845 PRESSURE: 975200 -156.096 130.947 28.9565 130.946 73.004 -36.8952 28.9565 -36.8966 223.801 GPRESSURE: 975200 -146.657 190.274 -36.3653 52.5856 111.786 -20.772 58.5828 29.8263 266.891 PRESSAVG: 975200 -11.2553 -34.6085 -88.5533 -34.6084 -15.5184 -5.16187 -88.5533 -5.16191 65.2172 GPRESSAVG: 975200 -12.2908 -34.0333 -89.7965 -34.9809 -16.077 -6.18566 -89.3242 -5.82293 66.403 TIMING: 975200 CPU: 2832.06, 0.00288925/step Wall: 2832.06, 0.00288925/step, 3.23018 hours remaining, 203.941406 MB of memory in use. ENERGY: 975200 757.9088 2018.8007 1981.1849 105.3333 -206746.3776 18035.1854 0.0000 0.0000 34311.3735 -149536.5909 299.6498 -183847.9645 -149438.8844 298.1457 46.9032 77.3399 556127.6055 12.8145 12.6784 PRESSURE: 975400 9.63933 -17.699 -106.323 -17.6993 113.705 208.716 -106.321 208.716 63.1247 GPRESSURE: 975400 59.3126 15.1141 -21.9813 -53.639 136.053 255.679 -146.61 189.773 72.4604 PRESSAVG: 975400 -35.542 23.2511 -49.4301 23.2512 0.642175 -35.5897 -49.4301 -35.5897 16.2045 GPRESSAVG: 975400 -34.3819 22.1497 -48.4312 24.9224 1.422 -33.8993 -49.9953 -35.5357 14.9821 TIMING: 975400 CPU: 2832.64, 0.00290329/step Wall: 2832.64, 0.00290329/step, 3.24572 hours remaining, 203.941406 MB of memory in use. ENERGY: 975400 739.8392 2109.6910 1957.7446 116.4142 -206651.1110 17996.4194 0.0000 0.0000 34160.1483 -149570.8542 298.3291 -183731.0025 -149470.7106 298.1889 62.1562 89.2754 557288.9082 -6.2318 -5.9926 PRESSURE: 975600 109.801 29.2928 -8.04121 29.292 255.21 -1.40801 -8.041 -1.40795 -53.8952 GPRESSURE: 975600 119.303 -28.4246 -41.9733 -16.7462 250.07 -81.3391 -59.3066 48.7717 42.41 PRESSAVG: 975600 62.4185 14.9656 -68.631 14.9656 21.9497 41.5262 -68.631 41.5264 -27.0529 GPRESSAVG: 975600 62.2919 13.5514 -68.7076 15.9608 20.8015 39.5337 -69.7073 42.145 -25.654 TIMING: 975600 CPU: 2833.23, 0.00292905/step Wall: 2833.23, 0.00292905/step, 3.27435 hours remaining, 203.941406 MB of memory in use. ENERGY: 975600 756.5794 2113.8021 1993.6058 126.1695 -207012.9551 18138.5815 0.0000 0.0000 34186.3581 -149697.8587 298.5580 -183884.2168 -149601.7097 298.4395 103.7055 137.2611 557158.4384 19.1051 19.1465 PRESSURE: 975800 97.2973 -71.6161 1.64912 -71.6164 -86.8338 21.8707 1.6486 21.8692 -90.3522 GPRESSURE: 975800 102.45 -92.9721 -33.314 -120.33 1.36126 19.4436 1.54642 -34.0298 -92.5301 PRESSAVG: 975800 41.7188 -25.0632 -16.9799 -25.0633 35.0926 -29.4903 -16.9797 -29.4904 -52.1321 GPRESSAVG: 975800 41.6789 -23.7047 -17.3871 -25.7239 34.5887 -27.5671 -16.1307 -31.5874 -51.8905 TIMING: 975800 CPU: 2833.81, 0.00291342/step Wall: 2833.81, 0.00291342/step, 3.25672 hours remaining, 203.941406 MB of memory in use. ENERGY: 975800 754.4668 2104.7576 1972.8350 116.7027 -206354.0794 17670.7149 0.0000 0.0000 34193.2306 -149541.3718 298.6180 -183734.6024 -149444.7689 297.7862 -26.6296 3.7604 556161.9400 8.2264 8.1257 PRESSURE: 976000 59.7077 -0.601744 20.379 -0.602609 -261.616 -20.8013 20.3787 -20.8023 48.6706 GPRESSURE: 976000 169.09 -38.2701 -34.5276 42.5401 -232.311 -16.5017 8.75947 -3.31849 8.62912 PRESSAVG: 976000 39.5602 -3.31834 -32.9349 -3.31832 19.5586 -22.8393 -32.9349 -22.8394 -57.1609 GPRESSAVG: 976000 39.3414 -2.03319 -30.2161 -4.57778 19.0735 -23.6649 -33.7849 -21.5333 -56.8959 TIMING: 976000 CPU: 2834.39, 0.00291521/step Wall: 2834.39, 0.00291521/step, 3.25855 hours remaining, 203.941406 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: 976000 714.2961 2130.7540 1984.1634 107.5396 -206251.7640 17669.6716 0.0000 0.0000 34275.4875 -149369.8517 299.3364 -183645.3392 -149265.1773 298.2075 -51.0792 -18.1972 556190.0217 0.6526 0.5063 PRESSURE: 976200 -254.86 -77.0237 -21.0118 -77.0248 -63.8652 -31.7438 -21.0119 -31.7445 -199.05 GPRESSURE: 976200 -226.546 -132.108 -14.3213 -96.716 5.4134 -36.2694 -48.3232 67.5497 -187.089 PRESSAVG: 976200 30.8717 42.2709 16.9019 42.2709 -5.98392 -0.597933 16.9019 -0.597872 -43.3114 GPRESSAVG: 976200 31.2561 42.7258 14.5095 43.8191 -5.25192 -1.11614 17.4467 -0.172476 -44.3961 TIMING: 976200 CPU: 2834.97, 0.00289239/step Wall: 2834.97, 0.00289239/step, 3.23289 hours remaining, 203.941406 MB of memory in use. ENERGY: 976200 721.2268 2110.9998 1971.3768 108.5822 -206045.2943 17428.4352 0.0000 0.0000 34312.2702 -149392.4034 299.6576 -183704.6735 -149301.3521 298.5284 -172.5916 -136.0739 556527.7710 -6.1412 -6.1306 LDB: ============= START OF LOAD BALANCING ============== 2838.44 LDB: ============== END OF LOAD BALANCING =============== 2838.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2838.44 LDB: ============= START OF LOAD BALANCING ============== 2838.73 LDB: Largest compute 4827 load 0.027016 is 23.0% of average load 0.117649 LDB: Average compute 0.001729 is 1.5% of average load 0.117649 LDB: TIME 2838.73 LOAD: AVG 0.117649 MAX 0.178302 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.77 MB LDB: TIME 2838.73 LOAD: AVG 0.117649 MAX 0.178302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.973 MB LDB: TIME 2838.73 LOAD: AVG 0.117649 MAX 0.178302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.973 MB LDB: ============== END OF LOAD BALANCING =============== 2838.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2838.73 PRESSURE: 976400 95.7621 90.7644 16.975 90.7653 -61.8781 20.8668 16.9728 20.8663 -8.35475 GPRESSURE: 976400 130.128 133.539 20.0684 89.4555 -45.8481 76.5642 10.9492 -17.9788 48.6413 PRESSAVG: 976400 -44.3301 24.3494 47.0049 24.3493 -12.6233 -10.2971 47.0049 -10.2971 46.3074 GPRESSAVG: 976400 -45.4652 21.9414 46.3545 24.974 -12.6407 -11.0893 50.7841 -11.7908 47.6312 TIMING: 976400 CPU: 2835.56, 0.00294396/step Wall: 2835.56, 0.00294396/step, 3.29037 hours remaining, 204.078125 MB of memory in use. ENERGY: 976400 703.6396 2087.5014 1987.0477 121.8578 -206538.0896 17728.4175 0.0000 0.0000 34416.8562 -149492.7696 300.5710 -183909.6257 -149393.0259 298.7360 8.5097 44.3072 557387.1768 -3.5487 -3.4916 PRESSURE: 976600 4.98642 -158.855 10.2927 -158.855 -65.1702 49.1763 10.294 49.177 134.944 GPRESSURE: 976600 47.7311 -102.807 6.82812 -124.543 -12.8051 -11.3765 -18.8124 83.5994 135.199 PRESSAVG: 976600 61.826 -32.9462 16.6236 -32.9462 -55.3883 -0.84965 16.6236 -0.849731 -4.84533 GPRESSAVG: 976600 61.6935 -31.8822 16.61 -32.465 -55.2363 -1.13018 14.7827 2.11547 -4.92994 TIMING: 976600 CPU: 2836.14, 0.00289609/step Wall: 2836.14, 0.00289609/step, 3.2367 hours remaining, 204.257812 MB of memory in use. ENERGY: 976600 719.8628 2052.1892 2013.6114 106.2860 -206552.9356 17816.3011 0.0000 0.0000 34292.3441 -149552.3411 299.4836 -183844.6852 -149454.8523 299.3444 24.9199 56.7084 556768.4197 0.5308 0.5091 PRESSURE: 976800 116.638 35.8808 -47.7733 35.8815 -87.3195 15.8602 -47.7722 15.8594 -199.643 GPRESSURE: 976800 113.693 80.0775 10.5136 94.7124 -73.75 -17.3934 -112.639 28.0239 -116.886 PRESSAVG: 976800 14.317 36.3754 25.378 36.3755 27.1862 23.9911 25.378 23.9909 -46.3082 GPRESSAVG: 976800 14.1468 35.5514 27.0046 33.8254 26.9974 25.2946 24.0691 21.0414 -46.0997 TIMING: 976800 CPU: 2836.72, 0.00289268/step Wall: 2836.72, 0.00289268/step, 3.23274 hours remaining, 204.257812 MB of memory in use. ENERGY: 976800 710.6790 2108.9287 1962.9974 111.2443 -206367.1724 17864.7367 0.0000 0.0000 34244.7746 -149363.8117 299.0681 -183608.5862 -149262.8101 298.6271 -56.7748 -25.6477 556875.2842 -1.6017 -1.6518 PRESSURE: 977000 136.602 -7.6956 80.7249 -7.69619 -24.5211 59.0865 80.7258 59.0859 4.03009 GPRESSURE: 977000 199.277 -25.9384 45.4971 57.683 -16.4755 25.2611 149.305 88.7635 19.8973 PRESSAVG: 977000 66.4288 16.9699 5.64379 16.9699 14.9619 2.28201 5.64389 2.282 -25.5477 GPRESSAVG: 977000 66.0415 16.9564 5.65991 17.8949 15.1518 1.34383 6.96591 3.19989 -25.2892 TIMING: 977000 CPU: 2837.3, 0.00289602/step Wall: 2837.3, 0.00289602/step, 3.2363 hours remaining, 204.257812 MB of memory in use. ENERGY: 977000 748.0280 2059.3794 1977.1345 111.8779 -206518.5745 17983.7593 0.0000 0.0000 34315.6240 -149322.7713 299.6869 -183638.3953 -149231.8334 299.2228 38.7037 67.5663 556831.4680 18.6143 18.6347 PRESSURE: 977200 -94.3102 14.7133 -186.849 14.7126 -368.405 31.8888 -186.85 31.8884 -46.9043 GPRESSURE: 977200 -81.2334 -10.2301 -185.325 26.2804 -274.242 -59.2718 -185.466 121.775 -53.7503 PRESSAVG: 977200 27.6473 -4.34377 -22.7564 -4.34375 -11.0614 38.9475 -22.7563 38.9475 -30.9198 GPRESSAVG: 977200 28.3233 -1.88059 -23.217 -6.0533 -12.176 39.0805 -23.2904 37.7632 -30.5058 TIMING: 977200 CPU: 2837.88, 0.00290027/step Wall: 2837.88, 0.00290027/step, 3.2409 hours remaining, 204.257812 MB of memory in use. ENERGY: 977200 744.9508 2069.6268 1932.0994 125.6762 -205882.5931 17386.5929 0.0000 0.0000 34201.9552 -149421.6918 298.6942 -183623.6470 -149326.4556 298.5689 -169.8732 -136.4087 556874.5174 -4.7780 -4.7862 PRESSURE: 977400 -72.1786 189.65 -12.9525 189.65 170.999 58.4076 -12.9512 58.4081 144.427 GPRESSURE: 977400 0.102119 184.063 -14.718 184.928 162.34 126.1 16.301 20.5456 181.526 PRESSAVG: 977400 108.96 61.4695 -48.4194 61.4695 -32.5178 16.3246 -48.4195 16.3247 -50.1316 GPRESSAVG: 977400 109.131 59.2874 -48.4547 63.3149 -31.7689 16.5887 -49.2625 18.2888 -51.2964 TIMING: 977400 CPU: 2838.46, 0.00289857/step Wall: 2838.46, 0.00289857/step, 3.23883 hours remaining, 204.257812 MB of memory in use. ENERGY: 977400 761.0487 2068.1514 1966.1177 117.4008 -206241.3224 17887.6110 0.0000 0.0000 34222.2474 -149218.7454 298.8714 -183440.9927 -149125.2475 299.0231 81.0826 114.6561 556563.3609 8.7702 8.6884 PRESSURE: 977600 -171.956 -54.7062 -48.0147 -54.7068 54.85 8.6499 -48.0151 8.64915 -215.366 GPRESSURE: 977600 -148.2 -69.8381 -91.2254 -28.6333 45.7323 0.740878 -46.0013 51.5927 -139.887 PRESSAVG: 977600 -2.16396 -100.458 -51.2319 -100.458 -13.7369 -21.1044 -51.2318 -21.1044 19.3707 GPRESSAVG: 977600 -2.10366 -100.845 -51.4675 -99.2856 -14.3517 -20.8591 -51.3717 -21.2254 20.0263 TIMING: 977600 CPU: 2839.03, 0.00288733/step Wall: 2839.03, 0.00288733/step, 3.22611 hours remaining, 204.257812 MB of memory in use. ENERGY: 977600 770.3686 2077.1599 1984.3169 116.0711 -205773.6581 17489.7583 0.0000 0.0000 34106.5114 -149229.4719 297.8606 -183335.9833 -149135.4556 299.4021 -110.8240 -80.7849 557091.5975 1.1566 1.1903 PRESSURE: 977800 198.192 12.2369 -38.1481 12.2373 225.554 11.4398 -38.1479 11.441 89.3291 GPRESSURE: 977800 214.049 37.883 33.6579 -65.8066 268.452 -1.7922 -58.9938 27.6204 121.987 PRESSAVG: 977800 -29.3461 -32.613 -36.1961 -32.6131 26.3403 5.38196 -36.1962 5.382 3.41942 GPRESSAVG: 977800 -29.5957 -32.2111 -38.0923 -34.4898 26.9863 6.12028 -35.3093 4.61137 2.87144 TIMING: 977800 CPU: 2839.61, 0.00290072/step Wall: 2839.61, 0.00290072/step, 3.24091 hours remaining, 204.257812 MB of memory in use. ENERGY: 977800 750.8717 2030.8934 1965.0315 116.8610 -206430.7124 18074.2200 0.0000 0.0000 34204.6103 -149288.2246 298.7174 -183492.8349 -149190.1924 299.0675 171.0251 201.4961 555768.1862 0.1379 0.0873 PRESSURE: 978000 -326.483 -172.952 -54.3525 -172.952 -226.631 -159.059 -54.3516 -159.058 -205.575 GPRESSURE: 978000 -285.912 -190.771 -135.483 -143.942 -189.016 -190.627 -8.10925 -123.535 -182.004 PRESSAVG: 978000 9.08366 18.2102 23.2575 18.2102 29.7148 14.7686 23.2574 14.7687 17.9598 GPRESSAVG: 978000 8.64114 19.9629 24.1937 17.8445 29.0396 13.0903 23.3589 16.4674 19.1101 TIMING: 978000 CPU: 2840.2, 0.00291102/step Wall: 2840.2, 0.00291102/step, 3.25225 hours remaining, 204.257812 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: 978000 739.1089 2088.5521 1975.9980 114.6409 -205830.5382 17439.7618 0.0000 0.0000 34169.8586 -149302.6179 298.4139 -183472.4765 -149205.9685 299.2728 -252.8964 -218.9775 558732.2789 18.9194 18.9303 PRESSURE: 978200 -118.374 80.5935 -69.1452 80.5946 -98.2589 -136.669 -69.1457 -136.67 -440.432 GPRESSURE: 978200 -142.725 76.4488 -65.6625 105.32 -42.7713 -187.975 -89.9085 -199.727 -365.465 PRESSAVG: 978200 -20.246 24.549 -55.4302 24.5489 -6.04649 -24.1015 -55.4303 -24.1015 -19.5011 GPRESSAVG: 978200 -19.9991 22.5187 -52.7725 25.8492 -5.31648 -22.2064 -57.2533 -25.8016 -19.7749 TIMING: 978200 CPU: 2840.78, 0.00291271/step Wall: 2840.78, 0.00291271/step, 3.25398 hours remaining, 204.257812 MB of memory in use. ENERGY: 978200 732.8745 2057.7269 2002.8661 119.0059 -206095.5668 17611.4089 0.0000 0.0000 34325.6549 -149246.0297 299.7745 -183571.6846 -149146.7104 299.3225 -219.0216 -183.6538 558700.0041 -15.2645 -15.0301 PRESSURE: 978400 -272.188 156.407 3.84075 156.409 -95.7241 301.826 3.84111 301.826 -126.614 GPRESSURE: 978400 -182.289 104.977 -12.2464 207.066 -44.3815 289.607 17.2356 283.459 -158.154 PRESSAVG: 978400 26.3887 -29.3212 23.0701 -29.3212 -33.4176 54.4737 23.0701 54.4737 17.9068 GPRESSAVG: 978400 27.6768 -28.9124 21.7934 -28.629 -33.3909 56.241 23.0433 51.7852 17.0328 TIMING: 978400 CPU: 2841.36, 0.00292476/step Wall: 2841.36, 0.00292476/step, 3.26728 hours remaining, 204.257812 MB of memory in use. ENERGY: 978400 766.5074 2108.4049 1943.3242 108.0477 -206365.0860 17723.1361 0.0000 0.0000 34430.6275 -149285.0383 300.6912 -183715.6657 -149182.3729 299.2581 -164.8423 -128.2750 557475.5455 3.6260 3.7729 PRESSURE: 978600 -72.8825 -95.1716 -122.06 -95.1719 -244.317 -66.7365 -122.059 -66.7372 -203.494 GPRESSURE: 978600 -98.7436 -58.0856 -121.266 -129.231 -193.524 -95.4686 -107.119 4.22642 -129.449 PRESSAVG: 978600 -2.87341 -5.55255 0.382799 -5.55258 -63.1183 -33.4132 0.382728 -33.4133 88.4114 GPRESSAVG: 978600 -2.84454 -3.10901 2.1744 -8.97745 -63.4904 -33.8121 1.48305 -31.6133 88.1495 TIMING: 978600 CPU: 2841.94, 0.00290032/step Wall: 2841.94, 0.00290032/step, 3.23982 hours remaining, 204.257812 MB of memory in use. ENERGY: 978600 722.7032 2059.6757 1967.9524 102.5383 -205572.5382 17306.6642 0.0000 0.0000 34229.5863 -149183.4182 298.9355 -183413.0044 -149092.2385 299.3048 -173.5644 -140.5722 557582.3424 7.4732 7.2715 PRESSURE: 978800 37.0806 -160.07 -95.2187 -160.069 275.149 116.507 -95.2199 116.509 -28.4015 GPRESSURE: 978800 91.9544 -85.1752 -123.115 -150.198 309.08 131.083 -73.2502 120.806 -30.0229 PRESSAVG: 978800 72.7877 21.0889 25.291 21.0889 -36.8082 10.9499 25.291 10.9499 13.367 GPRESSAVG: 978800 73.0781 22.3189 23.3526 22.8651 -36.9892 9.38998 24.6663 12.1417 13.1289 TIMING: 978800 CPU: 2842.52, 0.00289386/step Wall: 2842.52, 0.00289386/step, 3.23245 hours remaining, 204.257812 MB of memory in use. ENERGY: 978800 777.2546 2017.0790 1975.8622 108.9799 -206263.3455 17977.5852 0.0000 0.0000 34254.4727 -149152.1119 299.1528 -183406.5846 -149054.0673 299.3696 94.6092 123.6706 558169.8826 16.4488 16.4059 PRESSURE: 979000 116.17 70.4609 -33.7437 70.4613 -75.1221 -14.9397 -33.745 -14.9378 98.518 GPRESSURE: 979000 95.5689 115.848 -54.0805 125.702 1.02902 31.9899 -19.7909 40.8478 149.893 PRESSAVG: 979000 106.369 16.0168 17.6888 16.0169 -57.4365 6.63269 17.6889 6.63273 -32.9754 GPRESSAVG: 979000 105.145 12.9159 18.4793 17.2378 -56.8904 5.81002 18.7968 6.21209 -31.9487 TIMING: 979000 CPU: 2843.1, 0.00287187/step Wall: 2843.1, 0.00287187/step, 3.20772 hours remaining, 204.257812 MB of memory in use. ENERGY: 979000 773.6948 2106.5324 1977.9518 108.3795 -206289.2319 17895.2502 0.0000 0.0000 34306.1485 -149121.2745 299.6041 -183427.4231 -149029.4806 300.1708 46.5221 82.1635 556415.6807 5.3191 5.4354 PRESSURE: 979200 86.0654 32.3749 13.8885 32.3748 204.551 -9.64707 13.8883 -9.64738 -87.7049 GPRESSURE: 979200 141.307 79.5509 7.8461 -7.35757 216.829 127.252 25.3632 -19.7686 -60.1784 PRESSAVG: 979200 -2.24252 -26.5928 -65.8764 -26.5929 0.654038 -13.2156 -65.8764 -13.2156 -2.8071 GPRESSAVG: 979200 -1.43916 -25.0941 -64.4695 -28.2265 1.0567 -11.5608 -65.4128 -14.1517 -3.66705 TIMING: 979200 CPU: 2843.67, 0.00287734/step Wall: 2843.67, 0.00287734/step, 3.21367 hours remaining, 204.257812 MB of memory in use. ENERGY: 979200 735.1155 2084.2955 1944.4135 118.5195 -206102.5791 17749.1629 0.0000 0.0000 34253.8936 -149217.1787 299.1478 -183471.0723 -149108.1582 298.8874 67.6371 99.3191 557532.5986 -1.4652 -1.3498 PRESSURE: 979400 77.3614 93.8689 24.7183 93.8692 30.3199 -111.619 24.7183 -111.618 36.5015 GPRESSURE: 979400 138.391 107.634 62.4843 95.0578 24.9373 -91.4463 -47.8687 -76.6281 93.1484 PRESSAVG: 979400 35.112 43.1223 -15.3967 43.1222 41.2581 -15.7967 -15.3967 -15.7965 -76.3242 GPRESSAVG: 979400 35.1827 43.7373 -16.3327 43.2573 41.3159 -16.5065 -16.8156 -15.7043 -75.7667 TIMING: 979400 CPU: 2844.25, 0.00288579/step Wall: 2844.25, 0.00288579/step, 3.22295 hours remaining, 204.257812 MB of memory in use. ENERGY: 979400 765.0781 2069.6993 1960.6166 112.4887 -206336.3261 17884.2334 0.0000 0.0000 34507.7277 -149036.4823 301.3646 -183544.2100 -148937.4697 299.0560 48.0610 85.4921 556538.4677 0.0153 0.2440 PRESSURE: 979600 -81.0049 61.6056 -79.4293 61.6053 -74.6974 -53.7137 -79.4285 -53.7141 -212.013 GPRESSURE: 979600 -52.5418 25.6257 -135.162 76.9993 -11.5334 26.7588 -64.5474 -54.6318 -199.418 PRESSAVG: 979600 -23.5711 38.6483 -21.9677 38.6483 44.7139 -25.058 -21.9678 -25.058 -12.5002 GPRESSAVG: 979600 -23.5764 37.1841 -21.4537 38.1646 45.5313 -24.5787 -21.8126 -25.4485 -12.6604 TIMING: 979600 CPU: 2844.83, 0.00290664/step Wall: 2844.83, 0.00290664/step, 3.24607 hours remaining, 204.257812 MB of memory in use. ENERGY: 979600 734.9149 2123.9104 1938.0173 114.6033 -205874.8579 17719.5032 0.0000 0.0000 34083.2376 -149160.6712 297.6574 -183243.9088 -149066.3156 299.3579 -122.5716 -87.8311 558593.9199 2.8809 3.0982 PRESSURE: 979800 -143.326 -119.087 6.65424 -119.086 -152.774 41.9004 6.65502 41.9015 -70.7803 GPRESSURE: 979800 -68.3191 -21.2916 -2.07599 -156.414 -87.7296 74.8414 -51.2521 -1.62399 -111.65 PRESSAVG: 979800 -1.57806 3.27057 -28.2199 3.27052 25.6656 1.24041 -28.2199 1.24039 -54.7521 GPRESSAVG: 979800 -1.84631 3.63533 -29.7366 4.21542 26.0548 -1.00344 -27.4507 4.29158 -54.5934 TIMING: 979800 CPU: 2845.41, 0.00289174/step Wall: 2845.41, 0.00289174/step, 3.22927 hours remaining, 204.257812 MB of memory in use. ENERGY: 979800 773.7186 2142.4124 1944.8651 117.1728 -205846.9837 17592.2969 0.0000 0.0000 34135.7421 -149140.7758 298.1159 -183276.5179 -149051.8828 299.5596 -122.2932 -89.2329 557634.1689 -10.2215 -10.1283 PRESSURE: 980000 240.151 -87.0359 -113.79 -87.0359 -135.106 -20.3932 -113.79 -20.3912 172.747 GPRESSURE: 980000 218.214 -86.7818 -131.083 -89.9869 -76.0183 -75.8417 -45.9145 25.8261 234.603 PRESSAVG: 980000 75.4804 -51.6499 7.34727 -51.6499 -63.9881 5.27905 7.34731 5.27918 15.1198 GPRESSAVG: 980000 76.421 -52.1596 7.98897 -51.8605 -65.1835 4.96753 6.49625 4.59614 16.1353 TIMING: 980000 CPU: 2845.99, 0.00291698/step Wall: 2845.99, 0.00291698/step, 3.2573 hours remaining, 204.257812 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: 980000 728.0090 2136.2844 1943.2421 104.8574 -206424.9475 17904.6032 0.0000 0.0000 34268.8412 -149339.1102 299.2783 -183607.9514 -149247.4208 299.4851 92.5972 125.5996 557417.3261 8.8707 9.1243 PRESSURE: 980200 97.3227 2.47697 2.70592 2.47721 86.0891 -208.225 2.70548 -208.225 -405.734 GPRESSURE: 980200 84.725 30.8091 21.455 -35.5372 89.0518 -186.525 90.8977 -221.733 -306.507 PRESSAVG: 980200 79.3985 53.6764 -38.4514 53.6765 -2.69742 6.49904 -38.4515 6.49907 -55.7724 GPRESSAVG: 980200 78.2495 53.3946 -37.7581 52.9042 -3.03955 9.45742 -38.3134 4.24288 -55.228 TIMING: 980200 CPU: 2846.57, 0.00287661/step Wall: 2846.57, 0.00287661/step, 3.21205 hours remaining, 204.257812 MB of memory in use. ENERGY: 980200 743.3290 2107.6968 1936.4202 106.6438 -206175.8303 17966.2038 0.0000 0.0000 34289.3941 -149026.1426 299.4578 -183315.5367 -148925.1718 299.0001 -74.1074 -44.2435 559869.6120 6.9762 6.6606 LDB: ============= START OF LOAD BALANCING ============== 2850.03 LDB: ============== END OF LOAD BALANCING =============== 2850.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2850.03 LDB: ============= START OF LOAD BALANCING ============== 2850.32 LDB: Largest compute 4827 load 0.026532 is 22.6% of average load 0.117650 LDB: Average compute 0.001725 is 1.5% of average load 0.117650 LDB: TIME 2850.32 LOAD: AVG 0.11765 MAX 0.176973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.012 MB LDB: TIME 2850.32 LOAD: AVG 0.11765 MAX 0.176973 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.012 MB LDB: TIME 2850.32 LOAD: AVG 0.11765 MAX 0.176973 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.012 MB LDB: ============== END OF LOAD BALANCING =============== 2850.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2850.33 PRESSURE: 980400 13.9384 -66.9533 44.7786 -66.9534 258.332 -23.6717 44.7777 -23.6702 -156.496 GPRESSURE: 980400 16.9503 -82.1583 107.722 16.7866 241.341 15.0228 -15.5279 -111.743 -42.2478 PRESSAVG: 980400 -27.3333 10.197 -42.2666 10.1971 49.095 -39.6226 -42.2666 -39.6225 -46.5046 GPRESSAVG: 980400 -26.8372 10.8792 -43.1242 10.5819 48.6115 -42.0617 -41.1723 -38.5953 -46.2457 TIMING: 980400 CPU: 2847.15, 0.00293481/step Wall: 2847.15, 0.00293481/step, 3.27688 hours remaining, 204.449219 MB of memory in use. ENERGY: 980400 690.6904 2100.1545 1973.1424 115.9398 -206030.7759 17829.5760 0.0000 0.0000 34151.7587 -149169.5141 298.2558 -183321.2729 -149066.0128 299.5440 38.5916 72.0146 559017.2313 -8.2476 -8.1571 PRESSURE: 980600 -143.93 118.862 79.811 118.863 80.3285 95.972 79.8104 95.9733 56.5755 GPRESSURE: 980600 -89.9456 132.087 87.7755 64.8102 76.451 34.4869 45.4411 58.4209 97.2335 PRESSAVG: 980600 13.1878 29.1939 -85.0918 29.194 27.6382 -14.768 -85.0918 -14.7679 -3.27799 GPRESSAVG: 980600 13.7889 30.9485 -83.1341 27.3944 27.8686 -13.7227 -87.2845 -13.9814 -4.03305 TIMING: 980600 CPU: 2847.73, 0.00289577/step Wall: 2847.73, 0.00289577/step, 3.23313 hours remaining, 204.648438 MB of memory in use. ENERGY: 980600 730.5705 2083.6555 1973.3196 121.2698 -206273.1688 17734.3342 0.0000 0.0000 34375.4102 -149254.6091 300.2090 -183630.0193 -149155.3748 298.7248 -2.3419 27.9130 556977.9062 12.5160 12.5415 PRESSURE: 980800 108.336 110.247 232.751 110.246 -69.2059 -9.89195 232.751 -9.89208 107.782 GPRESSURE: 980800 134.365 160.616 278.605 91.8901 -11.8075 -39.6705 211.208 60.5162 120.289 PRESSAVG: 980800 -2.06087 32.595 -14.0273 32.595 -47.6593 -49.8157 -14.0273 -49.8156 44.4598 GPRESSAVG: 980800 -1.40019 31.3316 -15.309 34.0365 -47.7146 -50.0646 -11.1983 -49.8413 43.8108 TIMING: 980800 CPU: 2848.31, 0.00288602/step Wall: 2848.31, 0.00288602/step, 3.22208 hours remaining, 204.648438 MB of memory in use. ENERGY: 980800 738.8054 2097.5629 1995.1245 117.0384 -206640.4614 18035.3678 0.0000 0.0000 34309.3242 -149347.2383 299.6319 -183656.5625 -149248.7801 299.4878 48.9706 80.9488 556301.5134 -1.7535 -1.7680 PRESSURE: 981000 120.292 3.80618 -102.415 3.80408 65.9595 -44.6846 -102.414 -44.6858 -36.3735 GPRESSURE: 981000 148.366 112.185 -56.0167 -61.9799 76.2213 -6.13999 -115.704 -39.6888 24.9468 PRESSAVG: 981000 47.1717 51.9242 21.3505 51.9242 48.1232 -36.3616 21.3505 -36.3617 -30.5144 GPRESSAVG: 981000 47.5578 52.6969 19.0915 53.4548 48.7155 -35.1995 21.2294 -39.2042 -31.4245 TIMING: 981000 CPU: 2848.89, 0.00289165/step Wall: 2848.89, 0.00289165/step, 3.22821 hours remaining, 204.648438 MB of memory in use. ENERGY: 981000 767.7281 2094.6399 1978.1235 121.7239 -206725.2248 18132.9831 0.0000 0.0000 34132.1214 -149497.9051 298.0843 -183630.0264 -149408.2868 298.3243 49.9595 83.1781 556693.3257 21.5935 21.6163 PRESSURE: 981200 73.1645 -60.8647 16.7334 -60.8648 144.228 -168.44 16.7342 -168.439 158.077 GPRESSURE: 981200 96.5968 -148.375 16.5151 -103.513 176.562 -100.339 17.1991 -146.755 188.89 PRESSAVG: 981200 -42.9755 -7.43316 -54.1444 -7.43315 30.1538 -52.8087 -54.1444 -52.8087 46.13 GPRESSAVG: 981200 -43.8167 -8.65483 -52.6565 -8.35055 29.7541 -55.6407 -54.6394 -50.2014 47.1597 TIMING: 981200 CPU: 2849.46, 0.0028766/step Wall: 2849.46, 0.0028766/step, 3.21125 hours remaining, 204.738281 MB of memory in use. ENERGY: 981200 745.4977 2081.9138 1972.7922 112.3583 -206303.1597 17953.7701 0.0000 0.0000 34050.6842 -149386.1435 297.3731 -183436.8276 -149289.6648 298.8585 125.1564 154.0163 557534.5833 11.1028 11.0323 PRESSURE: 981400 -86.1958 -61.8847 -122.34 -61.8853 -18.9262 -56.8779 -122.342 -56.8786 -322.654 GPRESSURE: 981400 -91.1818 -40.0327 0.876349 -101.28 -55.1857 -51.2092 -173.645 -84.417 -181.843 PRESSAVG: 981400 -73.8981 -47.5752 -69.4989 -47.5752 47.9857 -32.4209 -69.4989 -32.4209 12.2531 GPRESSAVG: 981400 -73.58 -49.0176 -67.8251 -45.8278 47.7414 -30.4913 -70.9707 -32.9465 12.0152 TIMING: 981400 CPU: 2850.04, 0.00289412/step Wall: 2850.04, 0.00289412/step, 3.23064 hours remaining, 204.738281 MB of memory in use. ENERGY: 981400 742.9316 2039.3032 1964.0733 128.0996 -206172.6012 17668.2473 0.0000 0.0000 34222.7345 -149407.2117 298.8757 -183629.9462 -149295.8130 298.7996 -142.5921 -109.4034 556668.5410 -4.5531 -4.6078 PRESSURE: 981600 -209.164 53.601 -93.1845 53.6014 -101.445 -163.908 -93.1849 -163.91 82.1428 GPRESSURE: 981600 -182.713 137.626 -133.746 46.8439 -134.236 -135.971 -78.7203 -133.95 192.647 PRESSAVG: 981600 -2.58213 5.36939 -19.6813 5.36936 22.1358 -34.1054 -19.6814 -34.1054 3.15796 GPRESSAVG: 981600 -2.22499 5.74916 -20.6048 4.72285 21.3326 -33.8157 -17.6793 -33.0684 3.64304 TIMING: 981600 CPU: 2850.63, 0.00291854/step Wall: 2850.63, 0.00291854/step, 3.25774 hours remaining, 204.738281 MB of memory in use. ENERGY: 981600 756.3516 2175.3137 1964.9453 122.1226 -206670.5377 17912.1638 0.0000 0.0000 34357.7479 -149381.8928 300.0548 -183739.6406 -149288.5987 299.0155 -76.1554 -41.4341 558715.3912 7.5705 7.5835 PRESSURE: 981800 34.6386 -153.919 -296.118 -153.919 -160.543 -36.0432 -296.118 -36.0417 -358.547 GPRESSURE: 981800 74.8423 -113.64 -334.741 -128.013 -129.387 -119.94 -262.094 16.6479 -319.074 PRESSAVG: 981800 15.6314 13.2955 -37.8994 13.2955 2.26092 -15.0566 -37.8994 -15.0564 -47.9582 GPRESSAVG: 981800 15.3824 14.1167 -41.5791 12.2108 3.61453 -17.4632 -36.7246 -16.7276 -48.4012 TIMING: 981800 CPU: 2851.21, 0.0029241/step Wall: 2851.21, 0.0029241/step, 3.26378 hours remaining, 204.738281 MB of memory in use. ENERGY: 981800 747.0773 2103.8566 1964.0006 109.1240 -206165.1778 17538.0561 0.0000 0.0000 34261.8994 -149441.1639 299.2177 -183703.0633 -149351.5817 298.8334 -161.4837 -124.5396 557470.7008 -10.0219 -9.8014 PRESSURE: 982000 44.3479 88.5301 236.403 88.5302 33.7935 -174.307 236.404 -174.307 -34.421 GPRESSURE: 982000 86.4578 -4.39546 197.042 43.1559 59.0972 -240.683 304.548 -122.863 9.15593 PRESSAVG: 982000 9.10825 10.623 -17.3337 10.6231 0.218109 -69.6621 -17.3336 -69.662 -22.3092 GPRESSAVG: 982000 8.82103 8.507 -14.1214 13.2296 0.343264 -68.3542 -19.6207 -68.6994 -22.5522 TIMING: 982000 CPU: 2851.79, 0.00290739/step Wall: 2851.79, 0.00290739/step, 3.24497 hours remaining, 204.738281 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: 982000 737.8055 2093.4421 1967.3685 114.7147 -206325.1742 17931.7482 0.0000 0.0000 34211.0553 -149269.0400 298.7737 -183480.0953 -149166.9091 298.7638 14.5735 51.5703 558646.7323 -4.3276 -4.4626 PRESSURE: 982200 -10.8946 -11.2977 33.4749 -11.2981 332.311 119.149 33.4754 119.15 98.3241 GPRESSURE: 982200 -40.12 -111.237 34.204 29.2622 375.199 215.636 56.7599 76.0929 177.217 PRESSAVG: 982200 -15.9833 11.0937 34.0479 11.0937 49.9212 -14.2116 34.0479 -14.2116 -15.7231 GPRESSAVG: 982200 -16.2279 12.3217 33.5752 6.34394 50.3669 -15.3289 34.9664 -13.1458 -15.7293 TIMING: 982200 CPU: 2852.38, 0.00291287/step Wall: 2852.38, 0.00291287/step, 3.25092 hours remaining, 204.738281 MB of memory in use. ENERGY: 982200 729.2325 2031.3162 1999.3245 111.0053 -206155.4147 17859.1268 0.0000 0.0000 34442.7629 -148982.6465 300.7972 -183425.4094 -148889.0442 299.8120 139.9134 170.7654 556435.3012 6.0716 6.1366 PRESSURE: 982400 195.897 87.0078 16.5146 87.0076 310.505 101.968 16.5146 101.968 239.105 GPRESSURE: 982400 254.168 110.353 78.3338 94.7266 303.809 104.577 -94.1816 50.279 288.067 PRESSAVG: 982400 28.8053 -35.172 -4.87074 -35.1719 30.3768 8.98164 -4.87083 8.98162 -40.7928 GPRESSAVG: 982400 30.0264 -34.4106 -3.17805 -32.3627 29.7257 8.79209 -5.99754 8.20119 -40.9319 TIMING: 982400 CPU: 2852.96, 0.00292012/step Wall: 2852.96, 0.00292012/step, 3.25885 hours remaining, 204.738281 MB of memory in use. ENERGY: 982400 707.4799 2108.1769 1981.0666 115.9701 -206391.2689 18058.2750 0.0000 0.0000 34348.0665 -149072.2339 299.9702 -183420.3005 -148976.5000 299.5823 248.5021 282.0146 556692.9058 6.1298 6.2734 PRESSURE: 982600 70.3771 16.5433 -98.1488 16.5436 294.165 -63.1739 -98.1478 -63.1737 -130.309 GPRESSURE: 982600 90.3121 19.2822 -17.1847 -0.958908 350.57 52.7993 -95.0009 -77.1978 -108.978 PRESSAVG: 982600 20.1507 19.826 -17.0354 19.8261 70.2655 -4.96419 -17.0354 -4.96405 -91.4352 GPRESSAVG: 982600 18.9955 19.2476 -17.5172 19.8133 70.9734 -5.27978 -16.9525 -6.13266 -91.5142 TIMING: 982600 CPU: 2853.54, 0.00291769/step Wall: 2853.54, 0.00291769/step, 3.25598 hours remaining, 204.738281 MB of memory in use. ENERGY: 982600 738.7914 2089.2818 1926.4658 107.5584 -206356.3475 17941.6082 0.0000 0.0000 34417.7874 -149134.8546 300.5791 -183552.6419 -149041.1283 299.4533 78.0775 110.6345 558144.1853 -0.3397 -0.5151 PRESSURE: 982800 -172.192 -62.3502 183.238 -62.3512 -113.163 101.023 183.238 101.023 -364.883 GPRESSURE: 982800 -175.268 -89.1984 205.249 -65.4745 -26.5362 28.4381 269.745 154.303 -350.609 PRESSAVG: 982800 13.8753 -37.6257 6.59161 -37.6257 37.9414 -21.6647 6.59175 -21.6648 -79.7738 GPRESSAVG: 982800 14.6177 -35.1833 7.56904 -39.153 39.1749 -20.7736 6.57399 -19.2416 -81.3063 TIMING: 982800 CPU: 2854.13, 0.00291907/step Wall: 2854.13, 0.00291907/step, 3.25735 hours remaining, 204.738281 MB of memory in use. ENERGY: 982800 769.5002 2056.3120 1959.0985 120.0494 -206024.5540 17505.4446 0.0000 0.0000 34516.7919 -149097.3575 301.4437 -183614.1494 -148994.8538 300.1089 -216.7461 -184.1375 558934.4476 -9.3190 -9.1712 PRESSURE: 983000 -200.142 104.318 165.39 104.316 -277.909 -90.2821 165.39 -90.2827 -95.3886 GPRESSURE: 983000 -146.965 61.3645 72.1443 142.134 -256.619 -193.63 261.496 -19.6816 -86.3313 PRESSAVG: 983000 -0.279832 20.7493 -12.727 20.7493 57.2521 7.87243 -12.727 7.87236 -11.909 GPRESSAVG: 983000 0.397396 19.3103 -13.7224 21.8257 55.5885 6.74654 -13.7355 7.0247 -11.0689 TIMING: 983000 CPU: 2854.71, 0.00293327/step Wall: 2854.71, 0.00293327/step, 3.27304 hours remaining, 204.738281 MB of memory in use. ENERGY: 983000 765.4540 2129.2506 1951.6071 111.7964 -205870.5976 17624.6410 0.0000 0.0000 34213.1490 -149074.6995 298.7919 -183287.8485 -148976.5302 299.6820 -191.1464 -163.3050 558552.2040 15.0211 14.9723 PRESSURE: 983200 -102.531 2.82961 22.1755 2.83128 -218.777 -121.487 22.1748 -121.487 88.3602 GPRESSURE: 983200 -119.628 51.4789 111.425 -41.553 -120.2 -145.8 79.6575 -129.544 100.273 PRESSAVG: 983200 -5.69925 -4.20441 7.20243 -4.20442 -49.6797 9.24553 7.20246 9.24552 53.7277 GPRESSAVG: 983200 -6.99808 -3.64031 6.59622 -4.39848 -48.613 9.53857 9.22913 9.42533 53.4442 TIMING: 983200 CPU: 2855.3, 0.00292734/step Wall: 2855.3, 0.00292734/step, 3.26626 hours remaining, 204.738281 MB of memory in use. ENERGY: 983200 770.4462 2098.8141 1971.4585 114.7699 -206101.0434 17817.1478 0.0000 0.0000 34389.4864 -148938.9206 300.3319 -183328.4070 -148842.2434 299.8926 -77.6494 -46.5183 560134.8391 -0.5504 -0.7223 PRESSURE: 983400 -151.574 -105.131 -64.6636 -105.13 103.57 163.966 -64.6631 163.965 6.04032 GPRESSURE: 983400 -122.002 -37.4492 -24.8525 -113.202 129.686 152.191 -46.7827 122.842 46.6333 PRESSAVG: 983400 11.9221 -3.97376 31.6385 -3.97372 -22.8381 1.35921 31.6385 1.3593 59.4443 GPRESSAVG: 983400 11.7711 -4.44688 31.8467 -4.74855 -23.1483 2.64565 32.6394 -0.0578451 60.4053 TIMING: 983400 CPU: 2855.88, 0.00291755/step Wall: 2855.88, 0.00291755/step, 3.25517 hours remaining, 204.738281 MB of memory in use. ENERGY: 983400 735.2532 2150.2918 1958.2678 114.0019 -206061.1651 17811.0911 0.0000 0.0000 34268.2193 -149024.0399 299.2729 -183292.2592 -148928.3776 299.3823 -13.9877 18.1057 558393.8396 16.1761 16.3427 PRESSURE: 983600 47.7476 -71.8916 -2.85894 -71.8935 54.825 -72.1111 -2.86142 -72.1109 11.9589 GPRESSURE: 983600 55.6863 46.3804 -25.4821 -125.135 68.9246 -23.596 -18.5461 -100.351 87.3839 PRESSAVG: 983600 1.98585 27.5814 -22.9335 27.5814 -24.011 7.7709 -22.9335 7.77095 28.1732 GPRESSAVG: 983600 1.81974 29.4808 -24.0752 27.2679 -23.5487 6.47208 -22.8081 8.50096 28.1885 TIMING: 983600 CPU: 2856.47, 0.0029208/step Wall: 2856.47, 0.0029208/step, 3.25864 hours remaining, 204.738281 MB of memory in use. ENERGY: 983600 765.7184 2073.7419 1964.7997 120.5492 -206143.4044 17897.6672 0.0000 0.0000 34418.3309 -148902.5970 300.5838 -183320.9279 -148813.1356 299.5031 38.1772 70.6649 558780.6792 2.0494 2.1532 PRESSURE: 983800 -82.6056 96.6214 47.7645 96.621 -165.333 -113.107 47.7641 -113.107 25.355 GPRESSURE: 983800 -88.4708 79.2921 100.337 61.4394 -122.856 -95.268 -43.5072 -83.3205 76.454 PRESSAVG: 983800 31.4571 8.49847 -41.6253 8.49847 58.7653 -36.3147 -41.6252 -36.3147 -49.4146 GPRESSAVG: 983800 30.7676 6.72466 -38.4713 8.84739 59.2475 -36.1124 -46.0321 -35.4799 -49.4874 TIMING: 983800 CPU: 2857.05, 0.00290566/step Wall: 2857.05, 0.00290566/step, 3.24159 hours remaining, 204.738281 MB of memory in use. ENERGY: 983800 761.2776 2091.7645 1948.7985 102.3505 -206007.2169 17661.9469 0.0000 0.0000 34299.0656 -149142.0133 299.5423 -183441.0788 -149045.4001 299.8768 -74.1946 -44.9577 557296.7250 13.6026 13.5092 PRESSURE: 984000 -334.372 108.596 -44.2064 108.595 -27.0179 81.4819 -44.2066 81.4822 -234.557 GPRESSURE: 984000 -326.006 124.636 -44.544 140.676 -2.67959 62.5602 -35.274 73.0119 -168.052 PRESSAVG: 984000 -2.40995 24.153 -0.820161 24.1529 -0.464194 10.0983 -0.820262 10.0982 13.0335 GPRESSAVG: 984000 -1.66476 25.4484 -1.07183 21.8118 -0.629323 10.8842 2.6759 10.0649 13.1138 TIMING: 984000 CPU: 2857.63, 0.00291658/step Wall: 2857.63, 0.00291658/step, 3.25361 hours remaining, 204.738281 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: 984000 744.8897 2071.1553 1969.2866 122.3105 -205797.1906 17515.3519 0.0000 0.0000 34249.7497 -149124.4469 299.1116 -183374.1967 -149020.6834 299.8605 -198.6491 -165.5792 557951.9573 3.3864 3.6066 PRESSURE: 984200 250.825 -28.8257 -38.648 -28.8251 -49.5647 214.111 -38.6481 214.11 115.524 GPRESSURE: 984200 318.569 13.1793 29.2354 30.5957 -45.4339 206.915 -33.4991 185.343 146.885 PRESSAVG: 984200 -6.33906 23.8398 -9.74285 23.8397 8.50059 61.1166 -9.74285 61.1165 -8.57368 GPRESSAVG: 984200 -6.98917 22.357 -11.0952 28.2931 8.0799 60.5624 -9.60298 60.215 -7.72948 TIMING: 984200 CPU: 2858.22, 0.00293179/step Wall: 2858.22, 0.00293179/step, 3.27041 hours remaining, 204.738281 MB of memory in use. ENERGY: 984200 775.8324 2113.0096 1967.2050 111.1239 -206328.1716 18092.4346 0.0000 0.0000 34303.1785 -148965.3875 299.5782 -183268.5660 -148874.7939 300.1026 105.5947 140.0069 557437.4385 -2.1374 -2.2129 LDB: ============= START OF LOAD BALANCING ============== 2861.68 LDB: ============== END OF LOAD BALANCING =============== 2861.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2861.69 LDB: ============= START OF LOAD BALANCING ============== 2861.98 LDB: Largest compute 4827 load 0.028125 is 23.9% of average load 0.117575 LDB: Average compute 0.001737 is 1.5% of average load 0.117575 LDB: TIME 2861.98 LOAD: AVG 0.117575 MAX 0.179411 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.984 MB LDB: TIME 2861.98 LOAD: AVG 0.117575 MAX 0.179411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.988 MB LDB: TIME 2861.98 LOAD: AVG 0.117575 MAX 0.179411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.988 MB LDB: ============== END OF LOAD BALANCING =============== 2861.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2861.99 PRESSURE: 984400 -272.482 53.8576 110.908 53.8571 -138.553 44.7276 110.909 44.7277 -144.278 GPRESSURE: 984400 -253.02 109.583 43.5774 0.23668 -117.54 70.4063 158.783 59.2485 -87.4047 PRESSAVG: 984400 90.2831 8.415 26.2398 8.415 2.10855 30.4659 26.2398 30.4658 -59.0926 GPRESSAVG: 984400 90.8772 9.14215 26.095 7.17401 1.98861 29.5683 26.3271 32.32 -59.9964 TIMING: 984400 CPU: 2858.81, 0.00297252/step Wall: 2858.81, 0.00297252/step, 3.31568 hours remaining, 205.992188 MB of memory in use. ENERGY: 984400 736.1081 2052.8481 1931.8423 106.0249 -205951.1076 17603.5150 0.0000 0.0000 34592.3663 -148928.4030 302.1037 -183520.7693 -148827.2906 300.0376 -185.1045 -152.6549 558645.1084 11.0997 10.9565 PRESSURE: 984600 4.28049 31.9595 107.725 31.9598 72.4217 -2.0951 107.725 -2.09497 14.0237 GPRESSURE: 984600 37.634 48.1431 59.0966 0.450503 85.7486 26.3515 108.273 -25.155 63.413 PRESSAVG: 984600 -23.0536 29.4205 -7.15 29.4205 7.3354 11.3699 -7.15 11.3699 0.375957 GPRESSAVG: 984600 -22.3297 29.3463 -5.25703 27.4844 6.10375 11.7463 -7.71422 8.55394 0.417844 TIMING: 984600 CPU: 2859.4, 0.00291338/step Wall: 2859.4, 0.00291338/step, 3.24956 hours remaining, 205.992188 MB of memory in use. ENERGY: 984600 694.3918 2063.2318 1955.4577 101.3463 -205944.7505 17738.9453 0.0000 0.0000 34439.2154 -148952.1621 300.7662 -183391.3775 -148848.8597 299.7696 30.2420 62.2652 557611.6832 -5.1141 -5.2694 PRESSURE: 984800 -85.3396 114.606 -92.9656 114.606 -179.829 169.401 -92.965 169.401 46.0735 GPRESSURE: 984800 -74.8315 165.813 -131.752 170.106 -118.008 256.457 -80.1633 96.3774 68.2725 PRESSAVG: 984800 -1.25601 45.3036 -56.8323 45.3036 16.1852 0.380258 -56.8323 0.380323 -2.92993 GPRESSAVG: 984800 -0.979937 45.1737 -57.6654 46.368 17.0885 0.139437 -56.7554 1.1119 -3.60874 TIMING: 984800 CPU: 2859.97, 0.00288638/step Wall: 2859.97, 0.00288638/step, 3.21928 hours remaining, 205.992188 MB of memory in use. ENERGY: 984800 703.0998 2097.2797 1958.1337 99.9301 -205839.3016 17601.6823 0.0000 0.0000 34506.1862 -148872.9898 301.3511 -183379.1760 -148775.2788 299.6011 -73.0316 -41.5222 557240.3421 3.9998 4.1666 PRESSURE: 985000 12.5978 -15.1764 110.457 -15.175 -171.801 -45.5552 110.457 -45.5543 69.5042 GPRESSURE: 985000 62.6965 -9.79274 48.9544 -140.684 -125.661 88.9298 166.984 -34.4681 77.1758 PRESSAVG: 985000 -2.19286 5.21501 -42.76 5.21503 28.6425 16.1078 -42.76 16.1079 33.0507 GPRESSAVG: 985000 -2.97363 4.37413 -41.2941 4.69256 28.5306 16.9702 -41.8456 17.0994 33.7213 TIMING: 985000 CPU: 2860.55, 0.00289369/step Wall: 2860.55, 0.00289369/step, 3.22726 hours remaining, 205.992188 MB of memory in use. ENERGY: 985000 782.6669 2091.3979 1979.3081 107.6178 -206239.5592 17771.3679 0.0000 0.0000 34504.5273 -149002.6732 301.3366 -183507.2005 -148894.3105 300.1630 -29.8997 4.7370 556957.9859 19.8335 19.7594 PRESSURE: 985200 -215.165 -87.0537 145.922 -87.0536 -231.495 19.4705 145.922 19.4697 -319.954 GPRESSURE: 985200 -188.383 -62.5828 131.627 -110.494 -228.156 52.5023 117.261 81.7735 -272.323 PRESSAVG: 985200 0.632111 16.2664 11.7235 16.2665 -15.4349 -48.9212 11.7234 -48.9213 -15.362 GPRESSAVG: 985200 1.07151 18.0045 9.58943 14.4997 -15.2763 -49.0007 10.6666 -49.7147 -15.896 TIMING: 985200 CPU: 2861.13, 0.00291321/step Wall: 2861.13, 0.00291321/step, 3.24887 hours remaining, 205.992188 MB of memory in use. ENERGY: 985200 751.0381 2066.1656 1981.5352 107.1368 -205520.9650 17300.3515 0.0000 0.0000 34263.6195 -149051.1184 299.2327 -183314.7379 -148953.6596 299.7718 -255.5378 -229.6210 557983.2055 -10.0549 -10.0336 PRESSURE: 985400 -88.4737 -73.2268 131.025 -73.2258 -114.711 -45.3267 131.026 -45.3267 -256.651 GPRESSURE: 985400 -50.0342 -66.6588 41.2405 -42.6195 -125.44 -91.0903 143.381 -70.0423 -184.517 PRESSAVG: 985400 -34.8257 -28.6303 -12.8666 -28.6304 21.7366 -30.3821 -12.8666 -30.3821 -16.0891 GPRESSAVG: 985400 -34.9813 -30.8884 -12.9045 -25.9083 21.9669 -30.7527 -12.099 -28.8698 -16.0113 TIMING: 985400 CPU: 2861.72, 0.0029334/step Wall: 2861.72, 0.0029334/step, 3.27123 hours remaining, 205.992188 MB of memory in use. ENERGY: 985400 754.3054 2071.2812 1973.7278 110.0735 -206009.7986 17699.7636 0.0000 0.0000 34569.3864 -148831.2607 301.9030 -183400.6471 -148739.0082 300.4533 -153.2785 -119.9972 558238.1605 -9.7261 -9.6752 PRESSURE: 985600 -36.7801 57.275 117.046 57.2751 -174.177 106.696 117.047 106.698 -344.797 GPRESSURE: 985600 22.1965 12.0015 88.1403 97.8009 -181.478 122.246 86.4557 96.9961 -296.448 PRESSAVG: 985600 116.692 17.7295 30.2212 17.7296 22.1139 -34.7972 30.2212 -34.7972 -119.611 GPRESSAVG: 985600 115.958 18.4382 33.0393 16.5309 22.393 -34.1346 28.8385 -36.7528 -119.032 TIMING: 985600 CPU: 2862.31, 0.00292547/step Wall: 2862.31, 0.00292547/step, 3.26223 hours remaining, 205.992188 MB of memory in use. ENERGY: 985600 760.8445 2039.4093 1963.8334 120.2893 -205655.6604 17628.8565 0.0000 0.0000 34219.3913 -148923.0361 298.8465 -183142.4274 -148828.6224 300.5796 -185.2513 -151.9101 560308.1382 6.3983 6.4397 PRESSURE: 985800 172.096 107.083 -1.57112 107.083 -67.2619 -69.5712 -1.57096 -69.5719 -139.268 GPRESSURE: 985800 172.038 197.781 -43.1301 96.6086 1.67258 -1.27086 -9.63458 -30.4128 -124.199 PRESSAVG: 985800 22.773 20.0503 70.6857 20.0502 29.8139 15.2714 70.6856 15.2715 -64.9712 GPRESSAVG: 985800 22.9654 20.7529 67.7063 19.5496 29.8544 15.1273 71.569 17.917 -65.3742 TIMING: 985800 CPU: 2862.89, 0.00292503/step Wall: 2862.89, 0.00292503/step, 3.26157 hours remaining, 205.992188 MB of memory in use. ENERGY: 985800 785.3657 2086.9764 1977.9011 117.9691 -206058.5710 17903.2228 0.0000 0.0000 34203.8611 -148983.2748 298.7108 -183187.1359 -148891.7269 299.4765 -11.4781 16.5040 558269.3400 -4.1281 -4.1848 PRESSURE: 986000 45.9536 49.7964 -96.967 49.7967 -22.101 74.7295 -96.9663 74.7277 -135.61 GPRESSURE: 986000 20.272 31.0214 -136.102 96.1771 -10.5116 104.337 -95.5992 135.479 -24.2255 PRESSAVG: 986000 86.8016 20.5812 25.8258 20.5813 -45.1965 19.2674 25.8258 19.2674 -75.3682 GPRESSAVG: 986000 86.0011 22.2434 26.9329 22.3039 -45.4064 19.4994 25.0477 16.9796 -74.2168 TIMING: 986000 CPU: 2863.47, 0.00290495/step Wall: 2863.47, 0.00290495/step, 3.23902 hours remaining, 205.992188 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: 986000 760.5943 2009.2671 1986.9129 117.2835 -206236.2877 17878.7546 0.0000 0.0000 34592.5427 -148890.9326 302.1053 -183483.4753 -148794.3086 300.7755 -37.2524 -4.8217 557897.3738 -11.2544 -11.2074 PRESSURE: 986200 111.527 -137.699 44.5397 -137.7 120.455 -55.508 44.5393 -55.507 198.406 GPRESSURE: 986200 161.879 -114.404 -15.7066 -196.217 127.927 -72.629 90.2435 -4.09277 232.06 PRESSAVG: 986200 -35.2312 -55.4748 -23.3928 -55.4748 19.8996 31.8759 -23.3926 31.8759 36.8094 GPRESSAVG: 986200 -35.1321 -57.303 -22.3077 -55.3135 20.1189 30.3304 -22.7551 33.3892 35.5921 TIMING: 986200 CPU: 2864.05, 0.00290614/step Wall: 2864.05, 0.00290614/step, 3.24019 hours remaining, 205.992188 MB of memory in use. ENERGY: 986200 744.5980 2117.3780 1984.4709 110.5642 -206319.4196 18036.0859 0.0000 0.0000 34313.3221 -149013.0007 299.6668 -183326.3228 -148915.6066 300.7605 143.4629 173.9554 557994.7308 7.1592 6.8596 PRESSURE: 986400 -221.386 104.029 -174.972 104.03 -169.376 180.869 -174.971 180.869 -131.119 GPRESSURE: 986400 -193.537 194.859 -76.0552 1.6695 -155.888 196.272 -267.236 200.015 -63.8766 PRESSAVG: 986400 34.6165 -22.6463 -18.3648 -22.6463 -18.2796 18.735 -18.3648 18.735 -8.31432 GPRESSAVG: 986400 34.6913 -23.8716 -21.0577 -22.1905 -18.7354 22.1014 -16.9782 17.337 -7.66822 TIMING: 986400 CPU: 2864.63, 0.00289596/step Wall: 2864.63, 0.00289596/step, 3.22867 hours remaining, 206.050781 MB of memory in use. ENERGY: 986400 767.5608 2139.2545 1967.9509 124.0770 -206244.7766 17693.9346 0.0000 0.0000 34387.7192 -149164.2796 300.3165 -183551.9988 -149068.1096 300.3195 -173.9605 -137.7672 557623.7261 2.6742 2.7626 PRESSURE: 986600 -145.937 -163.012 121.598 -163.011 316.626 -64.1473 121.598 -64.148 -50.2533 GPRESSURE: 986600 -118.573 -176.922 189.097 -79.3482 285.542 -151.016 108.904 100.724 54.7942 PRESSAVG: 986600 -44.8014 -2.43053 -19.759 -2.43052 -3.04891 58.9121 -19.7591 58.9121 60.2611 GPRESSAVG: 986600 -44.3149 -1.89091 -17.4446 -4.65816 -2.81534 58.0025 -20.3333 58.4253 59.6932 TIMING: 986600 CPU: 2865.21, 0.00290691/step Wall: 2865.21, 0.00290691/step, 3.24072 hours remaining, 206.050781 MB of memory in use. ENERGY: 986600 718.3660 2107.1644 1966.3060 123.8000 -206163.6160 17787.9251 0.0000 0.0000 34415.8535 -149044.2011 300.5622 -183460.0546 -148952.6833 299.7953 40.1455 73.9213 557213.3332 4.1369 4.1877 PRESSURE: 986800 -55.0713 -123.198 -31.1244 -123.2 -73.1325 48.9178 -31.1254 48.9165 -21.0855 GPRESSURE: 986800 61.426 -77.9266 -89.8215 -116.274 -27.8355 -33.0481 2.23927 94.8049 -82.4541 PRESSAVG: 986800 -2.85811 -10.7441 46.634 -10.7442 8.19039 26.1621 46.6339 26.1622 45.4781 GPRESSAVG: 986800 -4.28482 -10.2788 45.9821 -11.0123 8.86791 23.1118 46.3242 28.8683 46.3458 TIMING: 986800 CPU: 2865.79, 0.00290712/step Wall: 2865.79, 0.00290712/step, 3.24079 hours remaining, 206.050781 MB of memory in use. ENERGY: 986800 734.8009 2065.4117 2000.2944 117.2640 -206344.1558 17691.4170 0.0000 0.0000 34543.6605 -149191.3072 301.6784 -183734.9677 -149093.9706 299.3056 -49.7631 -16.2879 557104.2729 16.9368 16.9763 PRESSURE: 987000 -146.504 11.8755 140.09 11.8739 -182.123 49.4551 140.09 49.4564 -184.846 GPRESSURE: 987000 -130.824 69.4763 157.742 -27.7983 -119.795 89.0546 142.136 65.3357 -155.424 PRESSAVG: 987000 34.3699 -15.1238 -11.5286 -15.1238 22.2862 -21.8697 -11.5287 -21.8697 -54.4871 GPRESSAVG: 987000 36.5275 -14.5955 -13.0519 -14.4856 21.0609 -20.8103 -9.77489 -23.6 -54.8806 TIMING: 987000 CPU: 2866.38, 0.00290452/step Wall: 2866.38, 0.00290452/step, 3.23773 hours remaining, 206.050781 MB of memory in use. ENERGY: 987000 802.4670 2082.6769 1975.0340 107.8240 -206117.0539 17778.1741 0.0000 0.0000 34377.4166 -148993.4613 300.2265 -183370.8779 -148894.2442 299.7533 -171.1577 -135.3480 557421.4258 0.7230 0.9026 PRESSURE: 987200 -241.929 -53.1229 -79.6296 -53.1245 -124.332 79.7834 -79.6301 79.7836 -173.415 GPRESSURE: 987200 -182.097 -56.9787 -14.7295 -26.5173 -157.239 101.677 -104.349 -38.441 -97.0683 PRESSAVG: 987200 -21.2002 -49.6319 -0.162554 -49.6319 80.1793 -32.4404 -0.162674 -32.4405 -18.8329 GPRESSAVG: 987200 -22.2839 -49.6979 2.25429 -50.6398 81.7162 -33.803 -2.05606 -31.7788 -20.2068 TIMING: 987200 CPU: 2866.95, 0.00288865/step Wall: 2866.95, 0.00288865/step, 3.21989 hours remaining, 206.050781 MB of memory in use. ENERGY: 987200 761.1638 2063.1022 1988.4843 120.7576 -205987.9766 17575.0980 0.0000 0.0000 34319.1342 -149160.2366 299.7175 -183479.3708 -149060.3333 300.7043 -179.8919 -145.4681 558477.8750 13.3821 13.0752 PRESSURE: 987400 -141.155 -0.0756817 18.9296 -0.0764981 145.398 -115.566 18.9275 -115.566 -133.08 GPRESSURE: 987400 -53.7026 16.7447 -16.3917 24.05 129.942 -56.2279 64.9419 -160.17 -95.533 PRESSAVG: 987400 7.56493 -79.9863 -11.0802 -79.9862 -39.2687 7.30824 -11.0802 7.30819 26.3321 GPRESSAVG: 987400 6.32274 -79.0231 -14.8297 -79.3452 -39.1127 6.63649 -7.90968 9.24116 27.4179 TIMING: 987400 CPU: 2867.53, 0.00289519/step Wall: 2867.53, 0.00289519/step, 3.22701 hours remaining, 206.050781 MB of memory in use. ENERGY: 987400 720.3847 2077.0914 1968.2446 120.2432 -206282.3416 17721.9205 0.0000 0.0000 34415.1129 -149259.3443 300.5557 -183674.4572 -149165.1456 299.0415 -42.9458 -6.4313 557746.7364 -1.7906 -1.7907 PRESSURE: 987600 -96.476 -64.3631 -70.2377 -64.363 185.934 162.523 -70.2376 162.523 -134.115 GPRESSURE: 987600 -79.6686 -100.832 -35.2803 -109.649 232.144 88.6823 -119.868 205.122 -100.359 PRESSAVG: 987600 -12.2067 21.6519 44.1884 21.652 -3.56317 36.3325 44.1885 36.3326 15.8964 GPRESSAVG: 987600 -11.3374 18.7976 46.0133 23.2977 -4.10682 39.0366 40.3806 33.6113 15.5772 TIMING: 987600 CPU: 2868.11, 0.00290675/step Wall: 2868.11, 0.00290675/step, 3.23974 hours remaining, 206.050781 MB of memory in use. ENERGY: 987600 719.3420 2057.7216 1973.9891 120.6267 -206327.0224 17975.4271 0.0000 0.0000 34266.5976 -149213.3183 299.2587 -183479.9159 -149116.6969 299.2729 -14.8859 17.3721 557284.0285 0.0422 0.0443 PRESSURE: 987800 36.5815 -110.192 74.289 -110.193 45.2071 -26.0827 74.2892 -26.0819 -117.41 GPRESSURE: 987800 47.9361 -82.8174 27.268 -108.52 52.2829 -30.1877 3.296 -55.4202 -36.07 PRESSAVG: 987800 18.3607 -60.3641 46.7758 -60.364 22.1893 10.3455 46.7758 10.3454 -20.6162 GPRESSAVG: 987800 18.2221 -57.9514 47.2869 -62.9413 22.6661 9.22649 46.6497 11.1214 -20.7471 TIMING: 987800 CPU: 2868.69, 0.00289315/step Wall: 2868.69, 0.00289315/step, 3.22441 hours remaining, 206.050781 MB of memory in use. ENERGY: 987800 714.3790 2093.6015 1981.2239 113.1406 -206086.0169 17665.6547 0.0000 0.0000 34159.9387 -149358.0784 298.3272 -183518.0171 -149257.1471 299.1537 -11.8738 21.3830 557417.2740 6.6446 6.7137 PRESSURE: 988000 254.148 3.61734 197.131 3.61792 -298.717 50.7835 197.131 50.7837 9.78019 GPRESSURE: 988000 287.541 29.1388 207.994 26.1971 -293.97 69.1718 201.215 122.804 57.3344 PRESSAVG: 988000 46.9382 -58.9895 58.0838 -58.9895 -32.2547 -35.2522 58.0838 -35.2523 -43.3204 GPRESSAVG: 988000 46.6977 -58.6142 58.2537 -57.4295 -33.537 -35.2592 59.044 -36.298 -42.2557 TIMING: 988000 CPU: 2869.27, 0.00289919/step Wall: 2869.27, 0.00289919/step, 3.23099 hours remaining, 206.050781 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: 988000 731.4256 2172.5219 1981.9625 105.6253 -206516.0254 17937.3826 0.0000 0.0000 34198.6607 -149388.4467 298.6654 -183587.1075 -149294.7931 298.6270 -11.5963 16.9685 557886.2979 -9.5456 -9.6984 PRESSURE: 988200 155.519 -131.209 -50.2978 -131.209 71.6877 -42.7571 -50.2983 -42.757 -107.718 GPRESSURE: 988200 167.267 -185.045 29.527 -94.49 126.701 -35.2705 -75.1349 -0.214178 -86.6644 PRESSAVG: 988200 61.551 -25.6432 47.2183 -25.6432 -47.0807 -22.6613 47.2182 -22.6613 36.0884 GPRESSAVG: 988200 62.5773 -27.7739 48.4918 -25.2686 -46.4498 -23.5719 47.0684 -20.958 33.865 TIMING: 988200 CPU: 2869.85, 0.00289021/step Wall: 2869.85, 0.00289021/step, 3.22082 hours remaining, 206.050781 MB of memory in use. ENERGY: 988200 770.1156 2092.4720 1981.9265 108.2677 -206762.2233 18171.7968 0.0000 0.0000 34240.3448 -149397.2998 299.0294 -183637.6446 -149295.2292 299.2382 39.8295 69.1013 557713.1680 16.8529 16.6642 LDB: ============= START OF LOAD BALANCING ============== 2873.32 LDB: ============== END OF LOAD BALANCING =============== 2873.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2873.32 LDB: ============= START OF LOAD BALANCING ============== 2873.61 LDB: Largest compute 4820 load 0.028795 is 24.5% of average load 0.117652 LDB: Average compute 0.001740 is 1.5% of average load 0.117652 LDB: TIME 2873.61 LOAD: AVG 0.117652 MAX 0.178847 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.449 MB LDB: TIME 2873.61 LOAD: AVG 0.117652 MAX 0.178847 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.449 MB LDB: TIME 2873.61 LOAD: AVG 0.117652 MAX 0.178847 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2873.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2873.62 PRESSURE: 988400 49.0826 191.266 -35.7165 191.266 -63.6284 16.3987 -35.7155 16.3971 -63.4792 GPRESSURE: 988400 87.8021 258.567 25.2902 124.851 -84.2354 2.32964 -35.9795 -13.0659 16.9084 PRESSAVG: 988400 23.3791 -12.6544 25.0564 -12.6544 -19.9402 54.9202 25.0565 54.9201 1.83886 GPRESSAVG: 988400 21.6052 -11.2507 25.7626 -12.6051 -19.8421 57.034 23.9828 52.4138 3.47957 TIMING: 988400 CPU: 2870.44, 0.00296287/step Wall: 2870.44, 0.00296287/step, 3.30163 hours remaining, 203.679688 MB of memory in use. ENERGY: 988400 734.9464 2129.1268 1965.2442 111.9521 -206503.5936 17789.3847 0.0000 0.0000 34278.2377 -149494.7017 299.3604 -183772.9395 -149395.4633 298.1804 -26.0083 6.8251 557828.7832 1.7593 1.7476 PRESSURE: 988600 -71.0167 29.0517 14.7553 29.0518 -172.699 -49.2444 14.7552 -49.2431 -293.089 GPRESSURE: 988600 -76.2459 51.6428 -68.224 37.4192 -131.692 -33.1596 128.304 -85.7395 -226.278 PRESSAVG: 988600 3.50058 16.267 -1.70258 16.267 -43.2525 45.3805 -1.7024 45.3805 1.99022 GPRESSAVG: 988600 4.03513 16.4931 -2.43002 16.1221 -43.9829 45.898 -0.814435 45.8599 2.08841 TIMING: 988600 CPU: 2871.02, 0.00290569/step Wall: 2871.02, 0.00290569/step, 3.23775 hours remaining, 203.882812 MB of memory in use. ENERGY: 988600 789.4807 2108.7325 1959.8330 105.2089 -206308.8261 17661.1034 0.0000 0.0000 34419.1312 -149265.3365 300.5908 -183684.4677 -149166.6378 298.8365 -178.9349 -144.7385 556355.8210 -12.5872 -12.6198 PRESSURE: 988800 -224.171 -236.628 20.8624 -236.629 -331.582 -38.8341 20.8623 -38.8334 -77.9039 GPRESSURE: 988800 -167.274 -186.926 46.6305 -212.618 -305.19 -49.833 -7.47354 -33.942 -58.5621 PRESSAVG: 988800 82.5074 -25.6969 22.3589 -25.6969 -7.03196 38.3302 22.3588 38.3303 -60.745 GPRESSAVG: 988800 82.7478 -25.8924 22.6731 -25.5494 -8.25064 36.9732 21.5749 39.7466 -60.0227 TIMING: 988800 CPU: 2871.6, 0.00290127/step Wall: 2871.6, 0.00290127/step, 3.23266 hours remaining, 203.882812 MB of memory in use. ENERGY: 988800 734.9625 2082.3388 1961.3578 117.9553 -205859.4088 17448.3351 0.0000 0.0000 34283.2457 -149231.2135 299.4041 -183514.4592 -149130.3596 299.4951 -211.2190 -177.0086 556879.6982 4.9101 4.8248 PRESSURE: 989000 -149.172 -12.5584 -15.9 -12.5583 -149.089 21.4347 -15.9006 21.4359 -23.2545 GPRESSURE: 989000 -127.697 -45.1107 -35.5374 -47.5749 -80.0693 -2.88938 -61.984 58.5325 -25.562 PRESSAVG: 989000 24.1992 -36.7243 -9.57126 -36.7243 30.5412 17.98 -9.57127 17.98 -14.4283 GPRESSAVG: 989000 24.1422 -37.5053 -11.2107 -38.3978 32.1882 18.28 -8.20195 16.5204 -16.1676 TIMING: 989000 CPU: 2872.18, 0.00290073/step Wall: 2872.18, 0.00290073/step, 3.2319 hours remaining, 203.882812 MB of memory in use. ENERGY: 989000 749.1591 2152.1995 1972.7041 119.8173 -206209.5789 17600.4011 0.0000 0.0000 34223.4076 -149391.8901 298.8815 -183615.2978 -149292.2192 298.9350 -107.1720 -77.7759 555810.0105 13.4373 13.3876 PRESSURE: 989200 63.8916 -26.8406 109.046 -26.8419 144.818 -41.108 109.046 -41.1079 -75.9952 GPRESSURE: 989200 107.875 -51.4484 124.072 -31.2288 131.597 -75.2433 79.9087 -75.461 -18.1189 PRESSAVG: 989200 -6.99546 -18.8041 -14.681 -18.8042 -27.363 -40.1802 -14.6809 -40.1803 9.64514 GPRESSAVG: 989200 -5.84946 -19.7656 -15.1098 -18.0895 -27.5112 -39.1524 -15.7683 -40.7808 9.0402 TIMING: 989200 CPU: 2872.76, 0.00288765/step Wall: 2872.76, 0.00288765/step, 3.21716 hours remaining, 203.882812 MB of memory in use. ENERGY: 989200 732.6879 2060.7422 2003.3267 110.2492 -206305.3228 17792.7906 0.0000 0.0000 34265.1354 -149340.3908 299.2459 -183605.5261 -149235.7596 299.1703 44.2382 73.7846 555307.5178 -8.2378 -8.1068 PRESSURE: 989400 -72.3113 -37.7332 43.5281 -37.7339 -78.3824 2.13561 43.5279 2.13551 -102.562 GPRESSURE: 989400 -24.016 -55.1633 83.4724 14.0021 -89.4117 -53.4255 10.9133 -14.3829 -40.9256 PRESSAVG: 989400 76.9315 -41.7969 43.4507 -41.7971 -7.80617 -22.7211 43.4507 -22.7211 -57.9192 GPRESSAVG: 989400 75.7835 -42.144 44.4993 -42.2063 -8.30345 -23.7672 44.812 -23.0765 -56.5474 TIMING: 989400 CPU: 2873.33, 0.00286463/step Wall: 2873.33, 0.00286463/step, 3.19135 hours remaining, 203.882812 MB of memory in use. ENERGY: 989400 752.8089 2062.6334 1956.9464 118.8373 -206252.4069 17778.8823 0.0000 0.0000 34263.9965 -149318.3020 299.2360 -183582.2985 -149216.8922 299.1535 -84.4186 -51.4511 555763.2855 3.7354 3.6442 PRESSURE: 989600 -104.753 -28.8515 56.2783 -28.8519 -105.51 122.998 56.2791 122.997 13.2133 GPRESSURE: 989600 -48.0069 17.9304 160.202 -56.8918 -76.0279 157.035 36.6237 28.9103 6.45389 PRESSAVG: 989600 66.6007 -26.7004 -24.2051 -26.7005 -24.4892 -50.6361 -24.2051 -50.6362 -41.1716 GPRESSAVG: 989600 67.0165 -26.4877 -25.224 -25.2001 -24.1859 -50.6789 -24.8799 -50.271 -41.5603 TIMING: 989600 CPU: 2873.91, 0.00286956/step Wall: 2873.91, 0.00286956/step, 3.19669 hours remaining, 203.882812 MB of memory in use. ENERGY: 989600 734.1149 2098.9821 1959.2351 111.1383 -206150.6660 17748.3595 0.0000 0.0000 34112.6552 -149386.1807 297.9143 -183498.8360 -149286.5774 299.2481 -65.6831 -39.1936 555625.9432 0.3133 0.4234 PRESSURE: 989800 34.6735 2.24846 58.4735 2.24866 -165.365 -52.4873 58.4741 -52.4868 -156.623 GPRESSURE: 989800 104.846 -21.564 138.602 0.764796 -151.45 -116.755 -14.322 -12.2152 -141.98 PRESSAVG: 989800 18.9382 -14.3135 47.5734 -14.3135 -57.5334 -27.1304 47.5735 -27.1306 36.2363 GPRESSAVG: 989800 20.5625 -13.5431 49.7384 -14.9623 -57.5951 -29.0525 46.7606 -27.1781 35.4097 TIMING: 989800 CPU: 2874.49, 0.00291025/step Wall: 2874.49, 0.00291025/step, 3.24186 hours remaining, 203.882812 MB of memory in use. ENERGY: 989800 754.4942 2116.7448 1967.9264 118.6886 -206004.6415 17693.1501 0.0000 0.0000 33986.0156 -149367.6219 296.8083 -183353.6375 -149279.5279 298.8360 -95.7717 -62.8612 557306.0779 -0.7863 -0.5409 PRESSURE: 990000 -143.27 -13.1798 -10.5659 -13.1788 93.9273 48.8176 -10.5645 48.8177 -181.134 GPRESSURE: 990000 -96.7189 37.767 -18.7038 -5.44753 74.6179 154.565 -38.0376 89.1744 -117.854 PRESSAVG: 990000 -40.092 -33.4107 -24.5222 -33.4106 36.5358 9.26188 -24.5221 9.2618 12.4144 GPRESSAVG: 990000 -41.208 -33.837 -23.0422 -31.4075 36.7621 10.9759 -24.2376 9.18218 13.7288 TIMING: 990000 CPU: 2875.07, 0.00289719/step Wall: 2875.07, 0.00289719/step, 3.22715 hours remaining, 204.085938 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: 990000 727.4111 2118.9768 1979.5489 97.7465 -206246.6922 17703.2755 0.0000 0.0000 34291.3200 -149328.4133 299.4746 -183619.7333 -149231.2836 298.5340 -76.8255 -46.6517 556608.7839 2.9528 3.0943 PRESSURE: 990200 -115.75 -10.9289 -142.069 -10.9292 173.979 -66.064 -142.068 -66.0634 75.6665 GPRESSURE: 990200 -80.7951 4.61265 -173.062 -87.8276 151.682 -80.7379 -50.6052 38.4126 163.966 PRESSAVG: 990200 -19.6054 0.376904 -5.22252 0.376977 17.425 -14.1449 -5.22264 -14.1449 1.01917 GPRESSAVG: 990200 -17.9499 0.734221 -8.49643 -2.07702 17.4273 -13.3564 -2.53637 -13.7581 -0.733527 TIMING: 990200 CPU: 2875.65, 0.00289781/step Wall: 2875.65, 0.00289781/step, 3.22767 hours remaining, 204.085938 MB of memory in use. ENERGY: 990200 757.0874 2092.8338 1945.4768 112.6219 -206470.3959 17928.5120 0.0000 0.0000 34329.3274 -149304.5365 299.8066 -183633.8639 -149206.7033 298.8333 44.6318 78.2843 556937.7855 -0.3871 -0.4187 PRESSURE: 990400 -102.727 114.217 181.378 114.218 -102.6 -171.729 181.378 -171.728 -40.162 GPRESSURE: 990400 -111.006 131.057 157.561 94.2204 -64.0929 -200.514 154.352 -138.307 26.7997 PRESSAVG: 990400 -45.9214 24.5316 35.2852 24.5316 -11.413 -42.7154 35.2854 -42.7153 105.432 GPRESSAVG: 990400 -47.4448 25.6281 34.3141 24.4139 -11.2758 -42.2477 33.0359 -43.6157 106.678 TIMING: 990400 CPU: 2876.23, 0.00289525/step Wall: 2876.23, 0.00289525/step, 3.22467 hours remaining, 204.085938 MB of memory in use. ENERGY: 990400 745.1068 2149.1269 1971.4587 117.9598 -206344.7511 17856.2697 0.0000 0.0000 34176.0420 -149328.7872 298.4679 -183504.8293 -149232.4164 298.6467 -81.8294 -49.4331 558471.3963 16.0325 15.9857 PRESSURE: 990600 -81.9246 185.015 -27.927 185.015 -93.8332 -83.0627 -27.9282 -83.0626 241.478 GPRESSURE: 990600 -8.44876 182.681 57.3741 164.944 -30.7559 -14.534 25.5398 -132.051 195.299 PRESSAVG: 990600 -16.0764 43.009 34.8674 43.009 -18.7135 -29.9592 34.8674 -29.9592 28.5194 GPRESSAVG: 990600 -16.3551 42.174 37.1826 43.8102 -18.221 -30.0161 35.6266 -30.0527 27.4259 TIMING: 990600 CPU: 2876.81, 0.00290777/step Wall: 2876.81, 0.00290777/step, 3.23845 hours remaining, 204.085938 MB of memory in use. ENERGY: 990600 734.4679 2133.7323 1953.5485 100.4590 -206216.6445 18075.7869 0.0000 0.0000 34016.6457 -149202.0043 297.0758 -183218.6500 -149106.4783 299.2811 21.9067 52.0316 558542.0073 -2.0902 -2.3834 PRESSURE: 990800 -41.5415 190.704 -64.1196 190.705 58.7998 -9.87135 -64.1188 -9.87137 -116.537 GPRESSURE: 990800 -40.1384 128.998 21.2495 206.348 123.336 -26.9755 -94.7177 3.21446 -87.2336 PRESSAVG: 990800 50.3919 30.5464 -86.2661 30.5465 -54.6014 -16.6954 -86.2662 -16.6954 -31.7402 GPRESSAVG: 990800 49.1104 28.4374 -87.5959 32.2822 -55.0142 -17.2927 -86.5195 -17.526 -30.6071 TIMING: 990800 CPU: 2877.39, 0.00289611/step Wall: 2877.39, 0.00289611/step, 3.2253 hours remaining, 204.171875 MB of memory in use. ENERGY: 990800 765.3740 2096.9946 1944.3610 112.6972 -206586.8287 17990.2657 0.0000 0.0000 34333.2364 -149343.8998 299.8407 -183677.1362 -149242.2002 299.0824 -33.0930 -1.3455 557993.2705 -11.9832 -12.1703 PRESSURE: 991000 15.6387 -30.7158 -25.0802 -30.7164 89.7185 27.5167 -25.0807 27.5159 -37.4458 GPRESSURE: 991000 -6.95251 28.4886 -39.2028 14.9437 98.5111 64.06 44.5827 83.9525 71.9774 PRESSAVG: 991000 35.4755 26.5143 -6.89755 26.5142 -0.813009 -5.28808 -6.89754 -5.28803 -41.7699 GPRESSAVG: 991000 35.3606 27.7606 -6.87051 26.1267 -0.647108 -4.87034 -6.55057 -2.34942 -41.876 TIMING: 991000 CPU: 2877.97, 0.00290436/step Wall: 2877.97, 0.00290436/step, 3.23433 hours remaining, 204.171875 MB of memory in use. ENERGY: 991000 763.6661 2148.3108 1964.4619 116.0619 -206333.2268 17897.1071 0.0000 0.0000 34125.8875 -149317.7315 298.0299 -183443.6190 -149222.2261 299.3646 22.6371 54.5120 557582.3639 -2.3691 -2.3875 PRESSURE: 991200 -104.455 106.727 -73.7623 106.727 -29.1513 35.853 -73.7622 35.8527 -232.608 GPRESSURE: 991200 -81.7084 95.931 -37.4579 104.308 32.0687 101.528 -109.891 22.0613 -199.998 PRESSAVG: 991200 -51.7672 -2.03551 -28.3512 -2.03549 84.9665 43.4023 -28.3512 43.4023 -6.91146 GPRESSAVG: 991200 -51.011 1.06819 -27.8376 -4.09251 84.2388 44.539 -28.4056 40.2442 -6.61713 TIMING: 991200 CPU: 2878.55, 0.00289696/step Wall: 2878.55, 0.00289696/step, 3.22593 hours remaining, 204.171875 MB of memory in use. ENERGY: 991200 762.7980 2066.2616 1960.1928 112.5453 -206529.2540 18027.9496 0.0000 0.0000 34185.2366 -149414.2701 298.5482 -183599.5066 -149322.8922 298.3688 -122.0717 -83.2125 557264.7567 8.7626 8.8702 PRESSURE: 991400 -33.6825 96.5897 141.11 96.5897 -260.66 51.6361 141.111 51.6363 -136.053 GPRESSURE: 991400 -61.4612 70.6549 157.704 117.255 -210.385 -57.8684 84.7594 53.4912 -76.3773 PRESSAVG: 991400 -36.7975 -27.8962 72.0223 -27.8962 60.8223 22.1604 72.0224 22.1604 -51.9164 GPRESSAVG: 991400 -36.9624 -28.7156 72.4126 -27.6095 60.0923 19.8473 71.4109 23.0072 -51.3397 TIMING: 991400 CPU: 2879.12, 0.00286934/step Wall: 2879.12, 0.00286934/step, 3.19501 hours remaining, 204.171875 MB of memory in use. ENERGY: 991400 761.8861 2087.4526 1953.0250 123.3677 -205969.9640 17523.7379 0.0000 0.0000 34210.9261 -149309.5685 298.7725 -183520.4946 -149211.6563 298.6498 -143.4651 -116.0746 557822.6833 -9.2972 -9.4033 PRESSURE: 991600 -111.645 6.44411 39.5909 6.4454 -219.2 146.682 39.5908 146.684 9.18843 GPRESSURE: 991600 -84.0421 -15.5454 14.3856 21.5606 -192.907 145.298 -0.617709 118.164 34.3394 PRESSAVG: 991600 -37.0278 7.83184 -40.1727 7.83185 -22.1395 36.9628 -40.1726 36.9627 67.3403 GPRESSAVG: 991600 -37.082 6.08751 -39.8911 9.45622 -21.5857 37.0466 -38.7076 38.0216 66.3626 TIMING: 991600 CPU: 2879.7, 0.00286626/step Wall: 2879.7, 0.00286626/step, 3.19142 hours remaining, 204.171875 MB of memory in use. ENERGY: 991600 738.0119 2098.1680 1992.5157 119.3947 -206302.4305 17691.6498 0.0000 0.0000 34166.1442 -149496.5462 298.3814 -183662.6904 -149396.7280 298.7276 -107.2188 -80.8700 556123.5935 2.7244 2.5650 PRESSURE: 991800 -365.481 -79.1294 -107.469 -79.1294 25.5648 -79.9336 -107.47 -79.9326 -156.378 GPRESSURE: 991800 -373.791 -52.6323 -95.5418 -67.4184 34.9405 -105.327 -139.928 -59.4045 -60.3055 PRESSAVG: 991800 -45.7126 -18.267 10.7169 -18.267 3.00969 17.6187 10.7169 17.6187 68.9796 GPRESSAVG: 991800 -45.7887 -18.0252 7.62216 -19.6185 3.50502 18.5541 11.0058 16.3719 68.4867 TIMING: 991800 CPU: 2880.28, 0.00289055/step Wall: 2880.28, 0.00289055/step, 3.2183 hours remaining, 204.171875 MB of memory in use. ENERGY: 991800 756.9553 2078.2150 1986.8649 107.0162 -206239.5175 17831.0423 0.0000 0.0000 33888.7839 -149590.6399 295.9592 -183479.4238 -149496.4051 297.9433 -165.4314 -133.0519 558748.0555 8.7589 8.7343 PRESSURE: 992000 -112.784 73.9375 101.966 73.9369 -208.872 -47.8239 101.965 -47.8229 26.4494 GPRESSURE: 992000 -76.1126 120.56 87.6453 -8.71013 -132.102 -49.8317 49.0165 -79.3361 14.921 PRESSAVG: 992000 -30.188 -5.96432 47.478 -5.96422 -1.30055 26.1323 47.478 26.1323 23.6022 GPRESSAVG: 992000 -29.6187 -4.86577 51.693 -6.49908 -2.04497 26.555 46.3851 25.4344 23.8766 TIMING: 992000 CPU: 2880.85, 0.00288728/step Wall: 2880.85, 0.00288728/step, 3.21451 hours remaining, 204.171875 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: 992000 760.2644 2029.7948 1948.7486 125.3627 -206032.0667 17588.4970 0.0000 0.0000 34083.3719 -149496.0274 297.6586 -183579.3992 -149400.2760 297.5541 -98.4023 -64.4312 556675.1363 -2.6288 -2.5957 PRESSURE: 992200 158.101 -43.7959 9.94181 -43.7959 -123.463 39.619 9.94131 39.6174 -302.681 GPRESSURE: 992200 192.546 -16.5362 48.3835 -27.0715 -97.1465 113.848 25.6084 32.2389 -276.326 PRESSAVG: 992200 -23.3097 39.532 7.14602 39.5319 50.1577 -15.2504 7.14599 -15.2503 6.1704 GPRESSAVG: 992200 -23.448 39.5294 6.35315 39.7873 50.787 -16.255 5.53028 -14.8766 5.62077 TIMING: 992200 CPU: 2881.43, 0.00289637/step Wall: 2881.43, 0.00289637/step, 3.22446 hours remaining, 204.171875 MB of memory in use. ENERGY: 992200 763.0297 2067.1678 1963.7691 109.2445 -206596.3574 17825.9592 0.0000 0.0000 34214.1329 -149653.0543 298.8005 -183867.1872 -149553.8627 297.7481 -89.3475 -60.3090 557562.6878 11.0062 10.9866 LDB: ============= START OF LOAD BALANCING ============== 2884.9 LDB: ============== END OF LOAD BALANCING =============== 2884.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2884.9 LDB: ============= START OF LOAD BALANCING ============== 2885.19 LDB: Largest compute 4820 load 0.027891 is 23.7% of average load 0.117543 LDB: Average compute 0.001742 is 1.5% of average load 0.117543 LDB: TIME 2885.19 LOAD: AVG 0.117543 MAX 0.180704 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.922 MB LDB: TIME 2885.19 LOAD: AVG 0.117543 MAX 0.180704 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.055 MB LDB: TIME 2885.19 LOAD: AVG 0.117543 MAX 0.180704 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.055 MB LDB: ============== END OF LOAD BALANCING =============== 2885.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2885.2 PRESSURE: 992400 143.27 127.495 148.783 127.496 252.446 199.925 148.783 199.924 63.4462 GPRESSURE: 992400 175.925 46.7014 231.289 214.17 308.192 274.984 68.6204 167.1 76.0004 PRESSAVG: 992400 -9.17931 51.3072 -19.526 51.3074 -51.1763 6.97066 -19.526 6.97069 61.4423 GPRESSAVG: 992400 -9.16275 50.901 -19.3778 51.1238 -50.8802 6.29387 -20.4465 7.87852 61.4207 TIMING: 992400 CPU: 2882.03, 0.00296601/step Wall: 2882.03, 0.00296601/step, 3.30182 hours remaining, 204.468750 MB of memory in use. ENERGY: 992400 706.3603 2079.0927 1958.7742 109.6450 -206402.5572 17965.4624 0.0000 0.0000 34014.9427 -149568.2799 297.0610 -183583.2226 -149471.7897 297.9821 153.0539 186.7057 557271.4428 0.3622 0.4592 PRESSURE: 992600 111.354 -153.833 -253.311 -153.835 122.01 103.618 -253.31 103.619 244.948 GPRESSURE: 992600 97.502 -168.88 -290.977 -149.643 193.178 194.026 -224.983 82.2115 267.158 PRESSAVG: 992600 -17.3801 -25.3206 13.5334 -25.3206 17.3755 41.523 13.5334 41.5231 -13.0651 GPRESSAVG: 992600 -18.2424 -25.0934 11.5441 -24.9345 19.1282 40.324 16.7408 41.4111 -14.015 TIMING: 992600 CPU: 2882.6, 0.00289312/step Wall: 2882.6, 0.00289312/step, 3.22053 hours remaining, 204.792969 MB of memory in use. ENERGY: 992600 706.7752 2090.9060 1961.6527 111.9204 -206497.3316 18020.4714 0.0000 0.0000 34183.6253 -149421.9807 298.5341 -183605.6060 -149335.9233 297.6084 159.4375 185.9459 557055.8134 -4.3566 -4.3764 PRESSURE: 992800 -64.9578 209.52 247.692 209.518 258.329 -83.5541 247.691 -83.5538 52.4968 GPRESSURE: 992800 -9.18388 200.592 337.412 125.847 290.778 -80.3516 133.219 -31.8352 61.1548 PRESSAVG: 992800 -18.5328 12.0916 40.8453 12.0917 30.0606 -44.8494 40.8453 -44.8493 -7.68681 GPRESSAVG: 992800 -16.9757 11.4262 42.5934 12.7501 28.4649 -44.9997 37.8233 -43.3624 -7.69117 TIMING: 992800 CPU: 2883.19, 0.0029089/step Wall: 2883.19, 0.0029089/step, 3.23793 hours remaining, 204.792969 MB of memory in use. ENERGY: 992800 707.4262 2063.4899 1973.7265 110.1817 -206505.5002 18017.7850 0.0000 0.0000 34218.5891 -149414.3019 298.8394 -183632.8910 -149322.8667 299.0161 81.9559 114.2495 557562.9203 1.2803 1.2660 PRESSURE: 993000 -151.591 129.787 -9.17299 129.787 143.627 -60.2975 -9.17182 -60.2975 -31.3685 GPRESSURE: 993000 -97.4424 163.379 -9.72113 75.7262 191.578 16.1075 -91.2943 -114.434 -32.1997 PRESSAVG: 993000 -71.4459 -6.59582 90.4759 -6.59575 48.2422 16.0862 90.4759 16.0862 55.7102 GPRESSAVG: 993000 -72.2013 -6.79417 90.028 -6.74847 48.1405 18.3727 92.4216 14.4708 56.8177 TIMING: 993000 CPU: 2883.76, 0.00289349/step Wall: 2883.76, 0.00289349/step, 3.22061 hours remaining, 204.792969 MB of memory in use. ENERGY: 993000 731.2306 2047.7341 1963.9053 104.3396 -205993.1889 17807.6647 0.0000 0.0000 33973.5373 -149364.7774 296.6994 -183338.3147 -149264.5476 298.2533 -13.1109 20.6452 557532.7938 10.8355 10.9189 PRESSURE: 993200 -244.545 18.025 -76.7951 18.0259 57.0904 79.9977 -76.7962 79.997 -93.5474 GPRESSURE: 993200 -155.32 -32.119 29.678 7.70769 75.7079 100.715 -56.1837 5.73258 -116.889 PRESSAVG: 993200 -46.0268 3.57343 -27.485 3.57349 27.0969 46.6612 -27.485 46.6612 24.142 GPRESSAVG: 993200 -45.1024 3.19154 -29.7398 4.43039 26.8726 44.149 -26.3119 46.971 23.496 TIMING: 993200 CPU: 2884.35, 0.002908/step Wall: 2884.35, 0.002908/step, 3.2366 hours remaining, 204.804688 MB of memory in use. ENERGY: 993200 749.0959 2128.5088 1989.6153 116.8833 -206161.3991 17712.8175 0.0000 0.0000 34067.7089 -149396.7694 297.5218 -183464.4783 -149298.8969 297.8765 -93.6673 -65.5002 557468.5703 1.7373 1.7554 PRESSURE: 993400 -6.38211 210.837 66.9619 210.837 -133.721 -68.0998 66.9621 -68.1 36.7251 GPRESSURE: 993400 24.7296 207.364 26.6878 150.787 -78.8188 -20.847 42.4946 -176.893 46.6528 PRESSAVG: 993400 -43.2783 30.3036 28.4709 30.3036 -10.7891 -6.38749 28.471 -6.38744 -9.87223 GPRESSAVG: 993400 -43.0829 30.2967 29.8222 29.3275 -10.3718 -4.06532 27.372 -6.4614 -9.77025 TIMING: 993400 CPU: 2884.93, 0.00290446/step Wall: 2884.93, 0.00290446/step, 3.2325 hours remaining, 204.804688 MB of memory in use. ENERGY: 993400 741.2613 2083.9396 1998.2917 123.8747 -206422.4910 17908.8168 0.0000 0.0000 33893.7098 -149672.5971 296.0022 -183566.3070 -149578.0827 297.7270 -34.4594 -2.4788 556706.2968 -21.3132 -21.0750 PRESSURE: 993600 -246.851 99.1001 -1.25662 99.0991 15.9333 126.574 -1.25709 126.575 54.9448 GPRESSURE: 993600 -191.164 54.6657 -45.1734 191.261 1.24403 117.52 40.9853 201.713 108.007 PRESSAVG: 993600 -16.3469 44.9936 8.9006 44.9936 34.8513 -0.181136 8.90055 -0.181084 -0.544469 GPRESSAVG: 993600 -17.5725 44.4975 9.01971 46.5888 35.0452 0.605838 8.15161 0.119306 0.201408 TIMING: 993600 CPU: 2885.51, 0.0028927/step Wall: 2885.51, 0.0028927/step, 3.21926 hours remaining, 204.804688 MB of memory in use. ENERGY: 993600 713.1973 2070.6289 1988.9734 117.2170 -206638.6011 17846.5814 0.0000 0.0000 34361.9684 -149540.0348 300.0916 -183902.0032 -149448.2341 297.5929 -58.6577 -27.3042 556635.2238 5.9866 5.8914 PRESSURE: 993800 183.64 7.44668 17.1179 7.44798 -110.856 58.5701 17.1175 58.5717 -82.4902 GPRESSURE: 993800 187.648 -33.9426 101.394 66.8056 -52.9841 85.2701 74.9258 68.7177 -46.6773 PRESSAVG: 993800 -0.358686 64.7349 65.2664 64.7348 38.0808 10.0941 65.2665 10.0942 -36.0122 GPRESSAVG: 993800 -0.993214 65.9985 66.104 63.4905 38.0445 9.52161 65.5369 10.6503 -35.4101 TIMING: 993800 CPU: 2886.09, 0.00290123/step Wall: 2886.09, 0.00290123/step, 3.22859 hours remaining, 204.804688 MB of memory in use. ENERGY: 993800 741.0475 2111.7230 1968.9655 113.8353 -205929.2408 17689.6344 0.0000 0.0000 33932.1078 -149371.9273 296.3375 -183304.0351 -149271.7100 298.1831 -3.2353 29.3289 557337.2282 0.5700 0.5471 PRESSURE: 994000 197.779 -165.227 70.1609 -165.228 -127.034 -178.49 70.1624 -178.491 -215.277 GPRESSURE: 994000 208.646 -182.061 113.763 -150.199 -49.8591 -215.017 -32.3289 -141.673 -199.041 PRESSAVG: 994000 16.6172 16.9411 53.024 16.9411 -67.0434 -9.75378 53.024 -9.75373 39.8592 GPRESSAVG: 994000 17.7735 17.957 51.4911 16.4652 -66.8706 -12.8407 52.4061 -10.0257 38.107 TIMING: 994000 CPU: 2886.67, 0.002904/step Wall: 2886.67, 0.002904/step, 3.2315 hours remaining, 204.804688 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: 994000 769.0126 2083.4803 1987.4927 118.8620 -206211.2671 17774.6510 0.0000 0.0000 34085.4988 -149392.2697 297.6771 -183477.7685 -149297.4170 298.7729 -48.1774 -13.4181 556975.7725 -3.5223 -3.6634 PRESSURE: 994200 -74.3904 45.5375 -27.195 45.5368 -39.6685 31.0174 -27.1946 31.0156 -42.8245 GPRESSURE: 994200 -66.1542 27.5002 -27.2331 7.95935 -23.2838 35.2918 -44.1758 -18.2828 13.3297 PRESSAVG: 994200 15.9022 -7.61323 29.6505 -7.61333 56.7459 -3.39717 29.6504 -3.39723 -56.593 GPRESSAVG: 994200 16.4469 -9.38256 29.9743 -6.03709 56.6511 0.0347492 29.7437 -5.93967 -56.8622 TIMING: 994200 CPU: 2887.24, 0.00287356/step Wall: 2887.24, 0.00287356/step, 3.19747 hours remaining, 204.804688 MB of memory in use. ENERGY: 994200 770.3145 2078.9726 1957.7632 117.8971 -206436.2091 17829.3909 0.0000 0.0000 34294.7787 -149387.0921 299.5048 -183681.8708 -149296.5971 299.0657 -52.2945 -25.3694 556890.5372 5.3517 5.4119 PRESSURE: 994400 -179.646 61.2051 127.556 61.2045 87.4652 3.52684 127.555 3.52885 -223.389 GPRESSURE: 994400 -143.664 55.6771 102.799 66.9875 79.4203 9.32662 219.383 -26.5139 -161.088 PRESSAVG: 994400 -4.42582 48.2788 -4.22337 48.2787 9.17987 -48.5719 -4.2233 -48.5718 27.9753 GPRESSAVG: 994400 -4.08376 50.8119 -4.5287 46.2245 7.56351 -49.8858 -2.58876 -44.3673 29.2288 TIMING: 994400 CPU: 2887.82, 0.00288826/step Wall: 2887.82, 0.00288826/step, 3.21368 hours remaining, 204.804688 MB of memory in use. ENERGY: 994400 762.2388 2068.2049 1961.3453 91.6553 -206395.5499 17787.9564 0.0000 0.0000 34184.2515 -149539.8977 298.5396 -183724.1492 -149446.4909 298.4299 -105.1901 -75.1107 557783.3133 10.9098 10.9028 PRESSURE: 994600 -55.7507 -26.9243 13.8277 -26.9253 58.0408 117.277 13.8282 117.277 -120.13 GPRESSURE: 994600 8.8001 -102.242 71.1865 9.4716 92.0602 87.8224 -42.8209 126.787 -118.413 PRESSAVG: 994600 11.3702 -2.24939 -58.2688 -2.24936 -38.8568 30.0134 -58.2688 30.0134 0.530072 GPRESSAVG: 994600 9.31825 -3.12853 -59.4942 -1.9588 -36.4267 31.395 -58.3784 27.2157 0.0834043 TIMING: 994600 CPU: 2888.4, 0.00288878/step Wall: 2888.4, 0.00288878/step, 3.21409 hours remaining, 204.843750 MB of memory in use. ENERGY: 994600 755.1702 2064.8947 2009.4683 122.9807 -206436.2755 18045.5884 0.0000 0.0000 34112.4114 -149325.7619 297.9122 -183438.1733 -149238.3168 298.5235 -39.2798 -5.8509 559689.6662 -8.9855 -9.0083 PRESSURE: 994800 -382.044 -162.02 -181.315 -162.021 -162.259 -86.2584 -181.315 -86.2564 -389.632 GPRESSURE: 994800 -327.464 -160.855 -63.7797 -103.705 -157.955 -117.983 -203.431 -87.7634 -352.503 PRESSAVG: 994800 -19.6002 21.9971 -45.6753 21.997 38.1629 24.2123 -45.6753 24.2124 30.2401 GPRESSAVG: 994800 -19.0504 22.3391 -45.1331 23.1312 37.5013 21.5472 -47.6407 25.1768 30.1471 TIMING: 994800 CPU: 2888.97, 0.00289152/step Wall: 2888.97, 0.00289152/step, 3.21698 hours remaining, 204.843750 MB of memory in use. ENERGY: 994800 770.7293 2102.3467 1965.0366 117.5754 -205712.3627 17229.6793 0.0000 0.0000 34364.1980 -149162.7972 300.1111 -183526.9953 -149076.0397 299.1874 -311.3117 -279.3074 559110.8848 16.2676 16.1993 PRESSURE: 995000 -188.059 125.154 -75.2677 125.153 -287.978 96.8824 -75.2673 96.8808 -117.953 GPRESSURE: 995000 -137.387 103.097 -27.741 74.5739 -262.881 -0.480097 -54.5081 81.1318 -97.2084 PRESSAVG: 995000 -37.1771 -43.7191 13.1717 -43.7192 26.1498 29.7502 13.1717 29.7502 -22.423 GPRESSAVG: 995000 -37.531 -43.3411 15.2282 -44.4043 26.4859 30.5642 13.3436 29.3017 -22.0082 TIMING: 995000 CPU: 2889.55, 0.00290002/step Wall: 2889.55, 0.00290002/step, 3.22628 hours remaining, 204.843750 MB of memory in use. ENERGY: 995000 719.6315 2107.5513 1954.0677 113.2245 -205721.4917 17477.2601 0.0000 0.0000 34277.3562 -149072.4005 299.3527 -183349.7567 -148982.3867 299.8433 -197.9965 -165.8253 558796.5262 -11.1501 -11.0178 PRESSURE: 995200 243.24 -155.717 -76.102 -155.717 99.9242 26.0532 -76.1023 26.0549 63.3053 GPRESSURE: 995200 294.082 -115.044 -46.1837 -104.58 98.5365 33.152 -95.4089 120.65 112.842 PRESSAVG: 995200 37.3314 -3.76459 13.4576 -3.76465 -13.37 33.7667 13.4576 33.7668 17.2492 GPRESSAVG: 995200 37.3587 -5.80299 12.213 -3.47589 -13.5202 33.616 14.9241 34.8559 17.3189 TIMING: 995200 CPU: 2890.13, 0.00288369/step Wall: 2890.13, 0.00288369/step, 3.20794 hours remaining, 204.843750 MB of memory in use. ENERGY: 995200 710.5356 2114.4914 1956.2025 118.3248 -206190.9212 17878.9812 0.0000 0.0000 34415.5456 -148996.8400 300.5595 -183412.3856 -148901.9371 299.2398 135.4899 168.4870 555425.2336 13.7368 13.7191 PRESSURE: 995400 -64.7098 -22.0481 182.441 -22.0488 86.9121 77.858 182.441 77.859 2.4184 GPRESSURE: 995400 -41.6016 -35.2381 222.438 10.521 154.513 -69.0472 132.375 142.719 6.98758 PRESSAVG: 995400 -38.8145 -37.4547 53.3376 -37.4547 22.6029 10.2475 53.3376 10.2474 -31.8613 GPRESSAVG: 995400 -40.5681 -37.342 53.2736 -38.4859 23.4616 11.1858 52.7 7.26697 -31.3618 TIMING: 995400 CPU: 2890.71, 0.00290832/step Wall: 2890.71, 0.00290832/step, 3.23519 hours remaining, 204.843750 MB of memory in use. ENERGY: 995400 729.7474 2085.4280 1987.5874 121.3089 -206005.1261 17718.3331 0.0000 0.0000 34174.5716 -149188.1498 298.4550 -183362.7214 -149096.9234 299.7387 8.2069 39.9663 556867.9464 -16.0243 -16.1561 PRESSURE: 995600 181.146 23.241 -39.1588 23.2411 57.9912 -174.914 -39.1587 -174.914 -40.7747 GPRESSURE: 995600 176.375 -74.9487 -79.0476 -32.3913 118.829 -182.818 96.6521 -164.6 0.339599 PRESSAVG: 995600 56.7652 -22.3874 43.6027 -22.3873 12.331 -0.899502 43.6026 -0.899485 -25.6384 GPRESSAVG: 995600 58.877 -21.9888 44.0229 -21.594 10.7216 -0.483247 43.4277 -0.492384 -26.0574 TIMING: 995600 CPU: 2891.29, 0.0029043/step Wall: 2891.29, 0.0029043/step, 3.23056 hours remaining, 204.843750 MB of memory in use. ENERGY: 995600 715.8680 2109.7443 1956.9807 111.4876 -206472.5113 18039.6941 0.0000 0.0000 34241.0340 -149297.7025 299.0355 -183538.7366 -149201.0805 299.0235 66.1209 98.5148 557475.7509 14.4859 14.5137 PRESSURE: 995800 113.278 -15.4586 24.6278 -15.4583 431.587 -36.8085 24.6268 -36.8074 205.129 GPRESSURE: 995800 162.935 17.3245 -6.46145 -62.936 465.749 -3.52249 -1.7324 -68.4945 222.87 PRESSAVG: 995800 -11.4633 -43.1206 -51.7161 -43.1206 1.58468 -66.1657 -51.7161 -66.1657 31.9844 GPRESSAVG: 995800 -11.7429 -41.8027 -53.2008 -44.3735 1.41105 -67.1886 -52.3577 -66.8547 32.4335 TIMING: 995800 CPU: 2891.87, 0.00290209/step Wall: 2891.87, 0.00290209/step, 3.22793 hours remaining, 204.843750 MB of memory in use. ENERGY: 995800 714.8518 2085.6617 1944.1178 107.5812 -206788.4916 18203.4313 0.0000 0.0000 34374.1608 -149358.6870 300.1981 -183732.8478 -149264.3341 298.5728 249.9978 283.8512 555969.9556 7.3686 7.3672 PRESSURE: 996000 32.2624 95.74 -100.989 95.7405 -54.2736 130.471 -100.989 130.474 -138.221 GPRESSURE: 996000 86.4611 119.536 -74.1323 120.217 -47.715 70.3354 -72.6046 112.308 -88.0613 PRESSAVG: 996000 8.74973 11.9362 -23.7865 11.9362 -1.11051 3.84126 -23.7866 3.84125 10.714 GPRESSAVG: 996000 8.13254 11.7568 -21.0865 12.0614 -0.618328 4.61927 -23.8726 4.55012 11.4791 TIMING: 996000 CPU: 2892.45, 0.00289884/step Wall: 2892.45, 0.00289884/step, 3.22415 hours remaining, 204.843750 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: 996000 708.1740 2098.4338 1947.1628 123.0251 -206056.1072 17707.7562 0.0000 0.0000 34246.4123 -149225.1431 299.0824 -183471.5554 -149126.9910 299.2482 -53.4107 -16.4384 558559.9146 6.1178 6.3311 PRESSURE: 996200 -104.318 7.58367 -131.067 7.58433 41.1723 144.368 -131.066 144.37 -159.228 GPRESSURE: 996200 -99.4062 34.6717 -140.377 -13.0665 94.1158 131.301 -117.358 151.463 -118.828 PRESSAVG: 996200 47.1834 -9.91591 -12.3741 -9.9158 -13.1221 11.1355 -12.3741 11.1356 2.64657 GPRESSAVG: 996200 48.1275 -9.7157 -13.6219 -10.0026 -13.1742 8.91831 -11.5847 13.092 1.71539 TIMING: 996200 CPU: 2893.03, 0.00288693/step Wall: 2893.03, 0.00288693/step, 3.21075 hours remaining, 204.843750 MB of memory in use. ENERGY: 996200 751.7509 2084.4242 1961.7324 106.1930 -206254.1177 17962.7722 0.0000 0.0000 34052.9280 -149334.3170 297.3927 -183387.2450 -149246.9654 298.7575 -74.1244 -41.3729 557808.5097 12.2359 12.2229 LDB: ============= START OF LOAD BALANCING ============== 2896.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2896.5 LDB: =============== DONE WITH MIGRATION ================ 2896.5 LDB: ============= START OF LOAD BALANCING ============== 2896.79 LDB: Largest compute 4827 load 0.026466 is 22.5% of average load 0.117635 LDB: Average compute 0.001740 is 1.5% of average load 0.117635 LDB: TIME 2896.79 LOAD: AVG 0.117635 MAX 0.180976 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.699 MB LDB: TIME 2896.79 LOAD: AVG 0.117635 MAX 0.180976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.945 MB LDB: TIME 2896.79 LOAD: AVG 0.117635 MAX 0.180976 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.945 MB LDB: ============== END OF LOAD BALANCING =============== 2896.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2896.8 PRESSURE: 996400 126.489 49.6433 31.6529 49.6436 4.16498 206.564 31.6526 206.563 136.816 GPRESSURE: 996400 186.078 59.5308 16.1563 54.1239 67.8402 151.173 91.5124 194.115 116.313 PRESSAVG: 996400 -3.31213 11.9223 -57.5786 11.9222 31.3052 24.4408 -57.5787 24.4407 -73.6513 GPRESSAVG: 996400 -2.77911 11.0555 -57.6388 14.2549 30.2608 26.9592 -56.3732 21.5469 -73.1759 TIMING: 996400 CPU: 2893.63, 0.00296844/step Wall: 2893.63, 0.00296844/step, 3.30124 hours remaining, 203.425781 MB of memory in use. ENERGY: 996400 736.2165 2040.7977 1972.1907 114.9117 -206486.6697 17881.6174 0.0000 0.0000 34398.0654 -149342.8703 300.4069 -183740.9357 -149247.3241 298.9294 89.1567 123.4103 556812.2002 -15.2194 -15.2314 PRESSURE: 996600 -280.717 15.5713 0.929136 15.5722 -8.36313 11.9482 0.928354 11.947 -43.3376 GPRESSURE: 996600 -273.577 81.9198 -2.37312 -26.8241 22.3613 0.474273 -42.5657 -5.43188 22.1391 PRESSAVG: 996600 8.36346 52.1507 -32.5229 52.1507 15.0727 31.7189 -32.5229 31.719 -20.0952 GPRESSAVG: 996600 7.08201 52.8933 -35.0231 51.2981 16.877 29.6669 -33.3059 34.0476 -20.5089 TIMING: 996600 CPU: 2894.21, 0.00290107/step Wall: 2894.21, 0.00290107/step, 3.22615 hours remaining, 203.425781 MB of memory in use. ENERGY: 996600 762.7016 2099.1014 1967.4856 115.3034 -206301.9419 17803.7865 0.0000 0.0000 34206.9799 -149346.5836 298.7381 -183553.5635 -149250.4592 298.9313 -110.8060 -76.3589 557587.9483 1.1136 1.1500 PRESSURE: 996800 6.81216 -199.65 -55.4723 -199.65 -99.9011 105.236 -55.4722 105.236 98.9135 GPRESSURE: 996800 92.9091 -133.933 -6.17087 -211.229 -64.4325 197.544 -80.3385 -6.18483 83.128 PRESSAVG: 996800 14.7771 15.9544 -9.04358 15.9544 -82.606 24.9527 -9.04352 24.9527 87.8684 GPRESSAVG: 996800 16.41 17.0348 -6.11356 14.589 -83.8214 28.5069 -9.35858 20.4124 87.8273 TIMING: 996800 CPU: 2894.79, 0.00290212/step Wall: 2894.79, 0.00290212/step, 3.22715 hours remaining, 203.425781 MB of memory in use. ENERGY: 996800 741.6323 2076.9596 1986.3697 127.9063 -206133.3732 17738.2885 0.0000 0.0000 34107.9351 -149354.2818 297.8731 -183462.2169 -149260.2437 298.7838 1.9415 37.2015 556802.7254 6.6798 6.8053 PRESSURE: 997000 -298.405 32.6695 -15.9881 32.6696 170.726 -47.4426 -15.9879 -47.4434 170.951 GPRESSURE: 997000 -261.494 -47.8091 -22.6893 12.2468 158.2 -67.5383 -5.22623 -57.2275 243.814 PRESSAVG: 997000 -0.830894 41.621 -32.3133 41.6209 -4.18171 37.2344 -32.3132 37.2345 -5.37035 GPRESSAVG: 997000 -2.72349 40.9505 -32.7892 42.1116 -3.20299 35.0201 -33.2028 40.1843 -5.6232 TIMING: 997000 CPU: 2895.37, 0.00290204/step Wall: 2895.37, 0.00290204/step, 3.22691 hours remaining, 203.425781 MB of memory in use. ENERGY: 997000 767.2613 2117.1729 1972.2692 118.0230 -206286.6809 17850.9526 0.0000 0.0000 34223.9393 -149237.0626 298.8862 -183461.0018 -149142.4369 299.0336 14.4240 46.8400 558031.8543 -3.4610 -3.8499 PRESSURE: 997200 60.1786 28.0297 -19.7201 28.0305 384.53 50.6103 -19.7206 50.6106 52.4735 GPRESSURE: 997200 103.495 -45.0951 -5.34049 21.4197 402.872 25.8565 7.56416 16.3513 91.0899 PRESSAVG: 997200 46.0572 48.7528 -32.939 48.7528 -2.23593 -36.1573 -32.939 -36.1573 -44.7012 GPRESSAVG: 997200 46.7143 49.5047 -32.108 49.9824 -2.26486 -36.7913 -31.5101 -33.9931 -45.7405 TIMING: 997200 CPU: 2895.94, 0.00289079/step Wall: 2895.94, 0.00289078/step, 3.21423 hours remaining, 203.425781 MB of memory in use. ENERGY: 997200 742.0527 2111.9143 1978.4043 109.2504 -206535.3461 18168.3672 0.0000 0.0000 34105.5642 -149319.7930 297.8524 -183425.3572 -149227.7654 298.9581 165.7273 199.1522 558145.6997 -0.2933 -0.4303 PRESSURE: 997400 -0.889627 7.86665 2.51489 7.86655 34.5598 177.444 2.51571 177.445 -77.3662 GPRESSURE: 997400 6.99264 -59.7033 50.353 -22.1109 91.2116 115.649 35.3152 171.042 -43.2397 PRESSAVG: 997400 25.3958 2.39831 -19.9996 2.39833 13.6443 28.1517 -19.9997 28.1516 15.8433 GPRESSAVG: 997400 25.046 1.80146 -20.7105 0.909131 13.658 27.6449 -20.1439 28.2665 15.8108 TIMING: 997400 CPU: 2896.53, 0.00290525/step Wall: 2896.53, 0.00290525/step, 3.23016 hours remaining, 203.425781 MB of memory in use. ENERGY: 997400 764.7595 2118.4741 1968.4561 129.7241 -206276.0950 17807.1592 0.0000 0.0000 34355.9706 -149131.5515 300.0392 -183487.5221 -149042.5079 298.7748 -14.5653 18.3215 557704.3073 18.2945 18.1716 PRESSURE: 997600 92.4544 130.77 -158.984 130.77 75.5527 146.563 -158.984 146.561 -237.285 GPRESSURE: 997600 158.684 85.8315 -165.833 146.501 67.6881 141.37 -82.4417 136.686 -200.389 PRESSAVG: 997600 25.7798 -33.6396 -24.612 -33.6397 -33.4339 47.0009 -24.6121 47.0008 -8.90068 GPRESSAVG: 997600 25.7624 -31.0807 -25.339 -36.2074 -34.4235 48.6945 -23.8276 44.2175 -8.10588 TIMING: 997600 CPU: 2897.11, 0.002909/step Wall: 2897.11, 0.002909/step, 3.23417 hours remaining, 203.492188 MB of memory in use. ENERGY: 997600 769.2590 2089.0007 1947.8998 101.9268 -206436.2664 17830.5631 0.0000 0.0000 34529.7022 -149167.9147 301.5565 -183697.6169 -149068.2404 299.8025 -23.0925 8.6613 556813.2646 -5.5182 -5.5890 PRESSURE: 997800 109.478 -31.9051 21.4161 -31.9058 -137.809 -77.6883 21.4154 -77.6879 95.9937 GPRESSURE: 997800 102.657 -106.171 -17.5476 0.346999 -92.7018 0.392831 -44.244 -73.102 136.105 PRESSAVG: 997800 15.3385 -52.5051 -22.0132 -52.5051 -66.0734 11.778 -22.0133 11.778 75.3391 GPRESSAVG: 997800 14.7528 -54.8422 -19.4777 -51.587 -66.1162 10.423 -22.9387 12.9028 76.0764 TIMING: 997800 CPU: 2897.69, 0.0029052/step Wall: 2897.69, 0.0029052/step, 3.22977 hours remaining, 203.492188 MB of memory in use. ENERGY: 997800 702.6430 2156.7087 1952.3087 98.6028 -205848.8843 17696.7568 0.0000 0.0000 34155.9407 -149085.9236 298.2923 -183241.8643 -148993.7089 299.0934 22.5543 48.6868 556397.7262 8.2014 8.2377 PRESSURE: 998000 -135.214 44.8634 -10.9547 44.8643 245.186 -30.3868 -10.9545 -30.3862 -213.06 GPRESSURE: 998000 -35.3235 14.4939 32.0753 -59.9475 267.086 -27.2353 58.648 -30.7599 -231.164 PRESSAVG: 998000 -31.9203 -2.25319 -3.71966 -2.25319 -4.25907 -45.2836 -3.71966 -45.2837 15.8133 GPRESSAVG: 998000 -30.8659 -1.64493 -6.34779 -1.84878 -4.79979 -42.6201 -1.38624 -46.8354 15.5255 TIMING: 998000 CPU: 2898.27, 0.0029111/step Wall: 2898.27, 0.0029111/step, 3.23617 hours remaining, 203.492188 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: 998000 755.3280 2149.8234 1960.6669 120.4629 -205799.4132 17574.4660 0.0000 0.0000 34381.7825 -148856.8834 300.2647 -183238.6660 -148763.2944 299.8533 -34.3630 0.1993 557309.5576 -6.7887 -6.7134 PRESSURE: 998200 163.027 242.837 33.5972 242.836 -0.91237 21.6191 33.596 21.6193 -151.501 GPRESSURE: 998200 232.695 302.5 -45.7531 235.551 -32.3663 12.6786 93.3328 33.65 -86.6414 PRESSAVG: 998200 40.3239 -7.27776 10.6374 -7.27788 22.5804 10.2001 10.6375 10.2 -76.6588 GPRESSAVG: 998200 40.6373 -7.39618 8.85904 -8.05717 23.1561 7.77545 9.70506 9.75902 -77.6463 TIMING: 998200 CPU: 2898.85, 0.00291969/step Wall: 2898.85, 0.00291969/step, 3.24556 hours remaining, 203.492188 MB of memory in use. ENERGY: 998200 745.8268 2089.2389 1970.1751 120.0042 -206323.6230 17972.2382 0.0000 0.0000 34416.6238 -149009.5160 300.5689 -183426.1399 -148912.9794 300.3180 3.5378 37.8959 557092.7861 -4.5848 -4.6176 PRESSURE: 998400 -113.267 -160.004 16.1918 -160.005 -27.793 80.5826 16.1927 80.5832 -144.788 GPRESSURE: 998400 -16.1417 -119.894 83.4431 -207.824 -71.5016 -11.0058 -46.4949 80.313 -95.7963 PRESSAVG: 998400 10.7572 30.6088 -34.509 30.6089 -19.9423 15.6632 -34.509 15.6632 -7.74533 GPRESSAVG: 998400 9.52909 31.4284 -30.4277 32.2267 -19.0681 14.1613 -36.8534 18.6986 -8.13696 TIMING: 998400 CPU: 2899.44, 0.00291445/step Wall: 2899.44, 0.00291445/step, 3.23957 hours remaining, 203.492188 MB of memory in use. ENERGY: 998400 757.2830 2081.9610 1951.7857 126.1067 -205952.0675 17742.1350 0.0000 0.0000 34331.7881 -148961.0081 299.8280 -183292.7962 -148859.5652 300.7874 -95.2829 -61.1465 558865.7773 -5.6435 -5.8920 PRESSURE: 998600 218.107 108.594 -26.2773 108.594 -266.279 39.0021 -26.2775 39.002 -342.297 GPRESSURE: 998600 226.42 171.603 -53.0485 82.1359 -214.232 59.7679 -62.5908 66.9642 -296.246 PRESSAVG: 998600 56.0357 36.9965 -13.0734 36.9965 -41.3716 48.0857 -13.0733 48.0858 -20.6339 GPRESSAVG: 998600 55.8842 36.548 -14.9935 36.799 -41.2021 51.746 -13.0133 45.9485 -20.9308 TIMING: 998600 CPU: 2900.02, 0.0029037/step Wall: 2900.02, 0.0029037/step, 3.22746 hours remaining, 203.492188 MB of memory in use. ENERGY: 998600 771.6446 2033.3503 1966.8597 121.9831 -206250.1128 17680.5907 0.0000 0.0000 34508.7619 -149166.9225 301.3736 -183675.6844 -149072.9990 300.4101 -130.1564 -94.6858 556918.2349 -1.9899 -2.0829 PRESSURE: 998800 -131.086 289.003 57.8187 289.002 -266.017 15.04 57.8199 15.0387 -323.057 GPRESSURE: 998800 -76.878 312.648 68.115 157.426 -270.497 -17.0055 -32.7872 9.1287 -282.123 PRESSAVG: 998800 20.5777 32.9813 26.6383 32.9813 28.0828 51.337 26.6383 51.3371 -39.8905 GPRESSAVG: 998800 21.1174 31.8806 27.4747 33.6951 26.6546 47.2069 26.8439 53.0665 -39.1492 TIMING: 998800 CPU: 2900.6, 0.00291868/step Wall: 2900.6, 0.00291868/step, 3.24395 hours remaining, 203.492188 MB of memory in use. ENERGY: 998800 719.5989 2158.2680 1938.8887 124.2591 -205955.9907 17404.3469 0.0000 0.0000 34506.7048 -149103.9243 301.3556 -183610.6291 -149002.8586 299.7009 -240.0532 -209.8327 558258.2136 2.9233 2.8743 PRESSURE: 999000 -102.711 121.235 -16.695 121.236 14.829 45.0419 -16.6956 45.0405 -342.348 GPRESSURE: 999000 -67.1758 144.24 -21.4006 152.146 42.2047 84.1829 52.6726 78.7727 -295.174 PRESSAVG: 999000 -1.88982 22.8131 23.8429 22.813 50.6616 22.4766 23.843 22.4766 -58.0629 GPRESSAVG: 999000 -1.61058 24.7446 23.5408 21.1421 50.6366 24.3598 25.077 20.5222 -58.0316 TIMING: 999000 CPU: 2901.18, 0.00291372/step Wall: 2901.18, 0.00291372/step, 3.23828 hours remaining, 203.492188 MB of memory in use. ENERGY: 999000 782.0818 2093.5276 1968.5443 115.5436 -205912.0063 17708.0279 0.0000 0.0000 34178.5752 -149065.7059 298.4900 -183244.2811 -148970.0374 299.7946 -143.4097 -106.7152 558329.1698 -3.0970 -3.0019 PRESSURE: 999200 -189.347 -16.4031 -94.4449 -16.402 -371.239 96.0737 -94.4441 96.0742 -105.863 GPRESSURE: 999200 -160.585 -125.992 -33.0739 -69.854 -308.861 172.356 -66.6475 88.2791 -105.127 PRESSAVG: 999200 79.2267 21.9603 -5.06296 21.9603 4.83285 -36.6184 -5.06289 -36.6184 -93.518 GPRESSAVG: 999200 78.9836 20.6214 -5.23011 22.7261 4.47488 -33.8086 -4.71555 -36.9793 -93.2268 TIMING: 999200 CPU: 2901.77, 0.00290593/step Wall: 2901.77, 0.00290593/step, 3.22945 hours remaining, 203.492188 MB of memory in use. ENERGY: 999200 738.6090 2121.6394 1958.9284 125.7290 -205828.9898 17447.7044 0.0000 0.0000 34463.1042 -148973.2754 300.9749 -183436.3796 -148868.2162 300.4392 -222.1495 -191.5247 558333.4555 -3.1528 -3.2561 PRESSURE: 999400 -242.467 67.0431 51.7223 67.0429 158.92 66.5563 51.7227 66.554 -146.915 GPRESSURE: 999400 -226.149 87.5946 20.6252 6.99322 167.171 118.722 74.9045 37.0203 -84.0775 PRESSAVG: 999400 81.7361 22.0537 61.3503 22.0538 -53.9007 -39.3773 61.3504 -39.3774 -27.7454 GPRESSAVG: 999400 80.6317 22.5489 60.6306 23.3977 -53.4541 -39.6664 60.145 -39.0952 -27.1382 TIMING: 999400 CPU: 2902.35, 0.00293221/step Wall: 2902.35, 0.00293221/step, 3.2585 hours remaining, 203.492188 MB of memory in use. ENERGY: 999400 735.3003 2111.8156 1943.5850 104.3669 -206013.8039 17677.8509 0.0000 0.0000 34335.8404 -149105.0447 299.8634 -183440.8852 -149010.7020 300.0660 -76.8206 -47.6851 556188.9724 0.0300 0.0131 PRESSURE: 999600 -228.731 -95.8307 114.803 -95.8303 -20.0466 135.223 114.804 135.223 -96.2027 GPRESSURE: 999600 -182.504 -45.5531 76.751 -106.229 -14.0515 107.688 194.742 156.196 -49.6977 PRESSAVG: 999600 78.2852 -41.037 34.7558 -41.0371 -13.6008 -5.85005 34.756 -5.84999 -39.568 GPRESSAVG: 999600 79.6676 -41.0736 33.9647 -41.0431 -14.2972 -6.52943 35.2912 -4.98524 -40.1137 TIMING: 999600 CPU: 2902.94, 0.00292439/step Wall: 2902.94, 0.00292439/step, 3.24964 hours remaining, 203.492188 MB of memory in use. ENERGY: 999600 738.1643 2059.5842 1941.2184 123.2976 -205725.8420 17625.1165 0.0000 0.0000 34226.7675 -149011.6935 298.9109 -183238.4611 -148916.6062 299.8321 -114.9935 -82.0844 557831.5557 8.3721 8.4189 PRESSURE: 999800 -201.1 -7.30884 126.871 -7.30985 -40.6404 -35.5789 126.872 -35.5778 -203.271 GPRESSURE: 999800 -215.686 -78.9832 120.211 51.9619 16.9177 -47.6552 85.4476 6.80559 -138.145 PRESSAVG: 999800 -0.725899 -15.2805 -17.4566 -15.2806 40.3585 -7.45515 -17.4567 -7.45509 -44.1768 GPRESSAVG: 999800 -0.851191 -14.8476 -16.412 -15.6294 39.7021 -6.66437 -16.6947 -6.99508 -43.5265 TIMING: 999800 CPU: 2903.52, 0.00292006/step Wall: 2903.52, 0.00292006/step, 3.24468 hours remaining, 203.492188 MB of memory in use. ENERGY: 999800 765.6608 2085.7179 1949.3074 130.6942 -205875.5280 17572.5057 0.0000 0.0000 34338.9866 -149032.6555 299.8909 -183371.6421 -148941.7130 300.3692 -148.3371 -112.3044 557806.2408 -1.5147 -1.5585 PRESSURE: 1000000 -106.88 -124.523 49.9492 -124.523 -92.8307 94.3732 49.9496 94.3723 -144.594 GPRESSURE: 1000000 -17.9297 -109.81 -12.9811 -94.0166 -71.0246 36.1951 124.891 185.281 -160.508 PRESSAVG: 1000000 6.55794 2.36492 -0.420673 2.36486 28.0344 3.62991 -0.420654 3.62985 -37.0767 GPRESSAVG: 1000000 6.33133 1.92729 -2.54671 2.86175 28.7107 2.3621 0.285635 4.43909 -37.3926 TIMING: 1000000 CPU: 2904.11, 0.00292175/step Wall: 2904.11, 0.00292175/step, 3.24639 hours remaining, 203.492188 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: 1000000 783.5405 2126.8002 1940.8876 120.3371 -205773.5256 17709.5938 0.0000 0.0000 34163.9555 -148928.4109 298.3623 -183092.3665 -148831.7733 299.8009 -114.7681 -83.1540 558384.4760 -0.8281 -0.7835 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.011 seconds, 203.492 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 10.2805 -101.463 188.885 -101.465 -65.5734 93.141 188.885 93.1406 -17.5323 GPRESSURE: 1000200 43.5914 -155.142 143.711 -111.844 13.9059 125.102 142.002 157.147 -37.7617 PRESSAVG: 1000200 33.7012 -33.1338 40.2216 -33.1339 -28.0613 26.4294 40.2215 26.4293 -17.9732 GPRESSAVG: 1000200 32.8472 -34.8292 41.3795 -32.8318 -28.0379 25.1806 38.2488 27.0924 -17.1136 TIMING: 1000200 CPU: 2904.71, 0.00299919/step Wall: 2904.71, 0.00299919/step, 3.33227 hours remaining, 203.492188 MB of memory in use. ENERGY: 1000200 725.7847 2064.7855 1990.4083 125.2382 -206120.4639 17747.5729 0.0000 0.0000 34517.2657 -148949.4086 301.4479 -183466.6743 -148851.2823 300.2315 -24.2750 6.5786 557564.4253 -4.1111 -4.1014 LDB: ============= START OF LOAD BALANCING ============== 2908.17 LDB: ============== END OF LOAD BALANCING =============== 2908.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2908.17 LDB: ============= START OF LOAD BALANCING ============== 2908.47 LDB: Largest compute 4820 load 0.026604 is 22.6% of average load 0.117659 LDB: Average compute 0.001727 is 1.5% of average load 0.117659 LDB: TIME 2908.47 LOAD: AVG 0.117659 MAX 0.178917 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.859 MB LDB: TIME 2908.47 LOAD: AVG 0.117659 MAX 0.178917 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: TIME 2908.47 LOAD: AVG 0.117659 MAX 0.178917 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2908.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2908.47 PRESSURE: 1000400 -20.5151 -72.064 -84.2832 -72.065 251.798 -187.742 -84.2844 -187.742 96.2861 GPRESSURE: 1000400 49.9105 -89.5789 -105.136 -57.9507 276.354 -173.652 -189.655 -183.577 100.56 PRESSAVG: 1000400 -92.2368 20.1861 -7.70197 20.1861 69.2823 -39.7271 -7.70203 -39.7271 57.6142 GPRESSAVG: 1000400 -91.463 22.9423 -6.26297 19.4265 68.3066 -38.3067 -7.82652 -41.16 57.3775 TIMING: 1000400 CPU: 2905.3, 0.00296819/step Wall: 2905.3, 0.00296819/step, 3.29766 hours remaining, 204.152344 MB of memory in use. ENERGY: 1000400 755.0240 2095.8568 1975.7365 127.7857 -205983.7175 17882.3687 0.0000 0.0000 34184.0736 -148962.8721 298.5380 -183146.9458 -148868.2568 301.1278 109.1895 142.2748 557612.0113 11.5532 11.4070 PRESSURE: 1000600 -26.652 123.205 58.9348 123.205 -145.743 -118.593 58.9367 -118.59 -111.83 GPRESSURE: 1000600 -93.1293 173.426 37.9196 120.524 -58.6783 -71.6039 63.8258 -80.2345 -27.4646 PRESSAVG: 1000600 40.1474 -33.9268 -57.6746 -33.9267 23.4376 -6.43298 -57.6747 -6.43297 -81.553 GPRESSAVG: 1000600 38.4674 -37.6711 -59.6072 -34.33 25.1921 -6.17963 -56.3303 -6.28837 -81.5455 TIMING: 1000600 CPU: 2905.88, 0.00290099/step Wall: 2905.88, 0.00290099/step, 3.22284 hours remaining, 204.394531 MB of memory in use. ENERGY: 1000600 767.1992 2138.8762 1938.3419 112.4061 -205664.2985 17637.9036 0.0000 0.0000 34150.1732 -148919.3983 298.2420 -183069.5715 -148823.5685 299.1514 -94.7418 -59.7574 558101.4954 -5.9893 -5.9620 PRESSURE: 1000800 -81.5408 -135.713 -111.818 -135.712 -62.9346 -61.0355 -111.82 -61.0357 115.548 GPRESSURE: 1000800 -13.957 -71.6557 -108.51 -114.838 -25.6324 -74.3989 -155.488 12.4608 111.152 PRESSAVG: 1000800 0.930563 -51.6493 -44.0278 -51.6492 -19.3302 8.3915 -44.0278 8.39142 36.3929 GPRESSAVG: 1000800 2.02941 -48.8674 -42.4964 -51.4957 -19.5237 8.95317 -45.1999 7.33392 35.4407 TIMING: 1000800 CPU: 2906.46, 0.00291852/step Wall: 2906.46, 0.00291852/step, 3.24215 hours remaining, 204.394531 MB of memory in use. ENERGY: 1000800 736.1045 2147.0641 1956.2613 114.8782 -206462.6297 17862.8117 0.0000 0.0000 34625.5776 -149019.9322 302.3938 -183645.5099 -148921.0412 300.2555 -9.6426 23.8542 557374.7232 5.9978 5.9821 PRESSURE: 1001000 88.9674 16.993 100.307 16.991 54.2242 -10.0516 100.307 -10.0511 -76.6436 GPRESSURE: 1001000 161.344 6.78567 164.451 -38.2669 92.3473 54.9386 192.826 -14.0955 -83.7249 PRESSAVG: 1001000 45.0231 -33.1895 -17.6373 -33.1895 -19.7608 64.9886 -17.6373 64.9885 -14.3021 GPRESSAVG: 1001000 44.371 -35.9198 -17.0296 -32.2564 -19.4684 62.2014 -17.5962 66.2459 -13.9148 TIMING: 1001000 CPU: 2907.05, 0.00291332/step Wall: 2907.05, 0.00291332/step, 3.23622 hours remaining, 204.394531 MB of memory in use. ENERGY: 1001000 750.2439 2083.0755 1962.5665 117.7268 -206378.0887 18016.8583 0.0000 0.0000 34509.0406 -148938.5771 301.3760 -183447.6177 -148841.3487 299.8307 22.1827 56.6556 558979.0050 3.6534 3.6626 PRESSURE: 1001200 13.436 27.8071 85.1363 27.8086 -48.8012 -144.303 85.1366 -144.304 195.797 GPRESSURE: 1001200 62.8188 66.8689 49.2889 -88.6817 -40.3332 -59.7885 106.453 -100.363 232.15 PRESSAVG: 1001200 28.6458 -8.03355 -3.45834 -8.03358 -63.2604 -26.4474 -3.45827 -26.4474 49.9146 GPRESSAVG: 1001200 29.7356 -5.14184 -2.79992 -9.37252 -64.3008 -25.8826 -2.83535 -25.0786 49.8449 TIMING: 1001200 CPU: 2907.62, 0.00288921/step Wall: 2907.62, 0.00288921/step, 3.20927 hours remaining, 204.550781 MB of memory in use. ENERGY: 1001200 735.1820 2112.0323 1940.2229 115.3546 -206245.3454 17918.7619 0.0000 0.0000 34443.6945 -148980.0972 300.8054 -183423.7917 -148881.3287 299.7263 53.4772 84.8787 558543.8322 5.1000 5.0932 PRESSURE: 1001400 -22.2199 149.387 -104.612 149.388 -0.0322576 -107.88 -104.614 -107.881 -362.15 GPRESSURE: 1001400 11.7904 156.69 -49.3308 130.41 -24.6716 -185.715 -79.1913 -102.275 -269.547 PRESSAVG: 1001400 49.9667 41.4339 19.203 41.4339 -40.2303 -7.86698 19.2028 -7.86697 11.0843 GPRESSAVG: 1001400 50.1279 39.5519 17.7181 42.7907 -41.0682 -7.79266 18.9331 -8.47168 11.7888 TIMING: 1001400 CPU: 2908.21, 0.00291122/step Wall: 2908.21, 0.00291122/step, 3.23355 hours remaining, 204.550781 MB of memory in use. ENERGY: 1001400 717.4059 2069.1551 1970.9366 113.8295 -205821.8273 17454.7146 0.0000 0.0000 34386.4926 -149109.2929 300.3058 -183495.7855 -149007.7709 299.6812 -128.1341 -94.1426 556759.1393 6.9402 6.9495 PRESSURE: 1001600 -196.555 70.3394 108.489 70.3382 -224.353 -179.532 108.489 -179.531 -163.056 GPRESSURE: 1001600 -153.935 17.1556 151.435 62.2622 -146.575 -156.66 91.8488 -163.357 -170.221 PRESSAVG: 1001600 -18.4632 75.5959 21.3507 75.5959 27.5843 -9.74456 21.3508 -9.74452 -20.61 GPRESSAVG: 1001600 -18.6154 76.7629 23.0545 74.3299 28.057 -8.09264 20.7274 -9.85759 -20.9421 TIMING: 1001600 CPU: 2908.79, 0.00292612/step Wall: 2908.79, 0.00292612/step, 3.24995 hours remaining, 204.550781 MB of memory in use. ENERGY: 1001600 725.7583 2065.9238 1980.5105 123.3934 -205409.0179 17296.3836 0.0000 0.0000 34247.7188 -148969.3295 299.0938 -183217.0484 -148876.5353 300.1711 -194.6543 -156.9105 557640.7469 -3.8296 -3.8335 PRESSURE: 1001800 -163.162 -38.3122 36.0341 -38.3118 -230.196 154.789 36.0337 154.787 -208.718 GPRESSURE: 1001800 -122.818 -30.1423 46.3096 74.9125 -206.548 203.138 39.2079 140.941 -180.997 PRESSAVG: 1001800 25.1137 37.1928 66.4443 37.1928 9.28561 71.3177 66.4443 71.3176 -33.5617 GPRESSAVG: 1001800 24.6063 35.9586 65.8224 38.1795 9.08571 68.6588 67.4029 71.5789 -33.5175 TIMING: 1001800 CPU: 2909.37, 0.00290476/step Wall: 2909.37, 0.00290476/step, 3.22605 hours remaining, 204.550781 MB of memory in use. ENERGY: 1001800 731.4340 2063.2394 1946.3118 118.2872 -205650.3923 17451.0540 0.0000 0.0000 34300.9999 -149039.0659 299.5592 -183340.0658 -148936.4202 299.7956 -200.6918 -170.1211 557557.9980 0.2792 0.0582 PRESSURE: 1002000 -8.58051 122.563 55.3061 122.564 -95.3435 -38.1527 55.3062 -38.1534 143.795 GPRESSURE: 1002000 96.8565 73.5841 22.934 91.9567 -48.7022 -143.214 60.1081 -64.9524 87.7923 PRESSAVG: 1002000 8.63284 44.2293 22.3805 44.2292 -5.33596 -4.57601 22.3805 -4.57592 -6.90468 GPRESSAVG: 1002000 6.95885 45.5193 21.624 43.0571 -3.35264 -3.28581 22.6516 -6.1669 -7.20721 TIMING: 1002000 CPU: 2909.96, 0.00292429/step Wall: 2909.96, 0.00292429/step, 3.24759 hours remaining, 204.550781 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: 1002000 754.3958 2064.9533 1971.1136 106.2045 -205545.7900 17462.5940 0.0000 0.0000 34049.9551 -149136.5736 297.3667 -183186.5287 -149038.2768 299.6906 13.2905 45.3155 556680.4164 -1.2026 -1.2003 PRESSURE: 1002200 -54.525 87.8666 31.3355 87.8674 -79.5312 -87.1469 31.3361 -87.1473 285.813 GPRESSURE: 1002200 -18.4673 121.472 -13.0666 117.219 -53.3608 -87.2088 19.445 -113.789 323.944 PRESSAVG: 1002200 -58.8279 27.2923 -18.4071 27.2923 61.4663 -74.4005 -18.4071 -74.4007 2.44021 GPRESSAVG: 1002200 -58.736 27.0211 -17.2022 26.9511 61.0023 -74.5005 -19.3775 -73.8373 2.04622 TIMING: 1002200 CPU: 2910.54, 0.00289269/step Wall: 2910.54, 0.00289269/step, 3.21233 hours remaining, 204.550781 MB of memory in use. ENERGY: 1002200 714.4740 2053.3970 1958.3748 118.0938 -206133.9374 17848.2628 0.0000 0.0000 34081.8199 -149359.5151 297.6450 -183441.3349 -149254.0683 298.7169 50.5855 84.0387 556889.9123 1.6929 1.4375 PRESSURE: 1002400 -113.786 61.9551 -193.081 61.9558 259.087 -101.111 -193.082 -101.112 39.0115 GPRESSURE: 1002400 -56.1435 64.956 -154.007 86.1905 274.158 -22.7008 -181.045 -141.72 57.1517 PRESSAVG: 1002400 -6.81235 41.0375 -44.2719 41.0375 10.944 -67.2834 -44.2719 -67.2835 8.46663 GPRESSAVG: 1002400 -5.8356 43.1982 -45.3504 41.3232 10.9994 -67.6382 -45.1375 -68.0737 7.22017 TIMING: 1002400 CPU: 2911.12, 0.0029045/step Wall: 2911.12, 0.0029045/step, 3.22528 hours remaining, 204.550781 MB of memory in use. ENERGY: 1002400 747.4520 2056.2455 1955.4982 119.0084 -206332.3459 17813.5478 0.0000 0.0000 34197.0485 -149443.5456 298.6513 -183640.5941 -149342.2915 298.1731 61.4373 91.7222 556542.9754 4.1994 4.1280 PRESSURE: 1002600 168.444 32.4449 159.566 32.4448 -204.305 -146.373 159.567 -146.373 -44.9626 GPRESSURE: 1002600 185.639 -36.924 273.895 55.1741 -162.041 -85.4838 71.685 -171.845 -15.47 PRESSAVG: 1002600 -42.3568 18.1465 -17.9761 18.1465 90.0641 -21.6165 -17.976 -21.6165 -19.5083 GPRESSAVG: 1002600 -42.8198 15.678 -16.9079 19.0307 89.0555 -21.5318 -16.6065 -21.3622 -18.898 TIMING: 1002600 CPU: 2911.7, 0.00290937/step Wall: 2911.7, 0.00290937/step, 3.23053 hours remaining, 204.550781 MB of memory in use. ENERGY: 1002600 766.8413 2097.5783 1977.2563 112.9547 -206311.7218 17822.8589 0.0000 0.0000 34010.8919 -149523.3403 297.0256 -183534.2323 -149431.1517 298.6079 -26.9413 2.7094 556819.7249 9.3997 9.1126 PRESSURE: 1002800 -271.405 -9.62812 87.6382 -9.62779 -155.1 -44.5527 87.638 -44.5533 -158.414 GPRESSURE: 1002800 -231.886 2.44749 111.361 -4.16121 -147.21 -98.4405 77.2775 -55.0719 -114.823 PRESSAVG: 1002800 -31.8842 54.6535 52.1801 54.6534 34.8376 -0.807775 52.18 -0.807657 -7.583 GPRESSAVG: 1002800 -32.1334 55.5622 52.0374 54.0353 34.9197 -3.23172 51.1675 -0.68149 -7.47215 TIMING: 1002800 CPU: 2912.28, 0.00290278/step Wall: 2912.28, 0.00290278/step, 3.22305 hours remaining, 204.550781 MB of memory in use. ENERGY: 1002800 773.2109 2089.2358 1974.4353 117.4485 -206020.5176 17436.8835 0.0000 0.0000 34220.4850 -149408.8186 298.8560 -183629.3036 -149320.5949 298.2053 -194.9734 -164.6395 556692.4065 -1.5432 -1.5619 PRESSURE: 1003000 -3.06885 -116.772 79.4518 -116.773 30.3159 26.9549 79.452 26.9565 123.481 GPRESSURE: 1003000 -28.416 -196.344 156.996 -66.7099 126.473 87.385 33.3407 74.0362 155.694 PRESSAVG: 1003000 -53.7898 -5.0137 18.1516 -5.01374 -5.689 39.255 18.1517 39.2549 112.289 GPRESSAVG: 1003000 -54.3688 -6.8284 15.7039 -2.47639 -5.84081 40.952 21.111 39.8455 112.78 TIMING: 1003000 CPU: 2912.86, 0.00289012/step Wall: 2912.86, 0.00289012/step, 3.20884 hours remaining, 204.550781 MB of memory in use. ENERGY: 1003000 733.0663 2104.0368 1949.5615 116.7296 -206400.9091 17892.7687 0.0000 0.0000 34143.8868 -149460.8594 298.1871 -183604.7462 -149360.5993 298.7944 50.2425 84.5839 557567.9811 17.6035 17.5235 PRESSURE: 1003200 121.696 -128.462 -64.2065 -128.462 17.0365 33.3372 -64.2069 33.3373 -251.959 GPRESSURE: 1003200 167.648 -181.682 -41.2403 -126.662 34.3293 24.2246 -116.636 -31.3602 -218.701 PRESSAVG: 1003200 24.3762 23.9687 34.2628 23.9687 3.27197 -15.5599 34.2628 -15.5599 -28.1438 GPRESSAVG: 1003200 24.0531 27.1122 34.2169 20.7897 4.36997 -14.7544 33.5956 -16.4703 -28.7413 TIMING: 1003200 CPU: 2913.44, 0.00290679/step Wall: 2913.44, 0.00290679/step, 3.22718 hours remaining, 204.550781 MB of memory in use. ENERGY: 1003200 741.1760 2068.7821 1952.7573 122.1149 -206699.3080 18032.0612 0.0000 0.0000 34273.8444 -149508.5721 299.3220 -183782.4165 -149416.7405 298.5631 -37.7424 -5.5744 558144.1263 -0.1652 -0.1061 PRESSURE: 1003400 -92.0082 72.8498 -13.476 72.8499 -339.131 42.829 -13.4745 42.8283 -237.231 GPRESSURE: 1003400 -94.907 2.53763 -28.8498 93.5263 -309.101 1.90887 -22.6598 138.842 -179.206 PRESSAVG: 1003400 -9.36972 6.03189 42.7997 6.03182 -45.2553 0.735092 42.7997 0.734945 5.8661 GPRESSAVG: 1003400 -8.47661 5.04849 41.4387 6.54773 -48.2726 0.483144 41.9517 1.31498 7.94958 TIMING: 1003400 CPU: 2914.02, 0.00290495/step Wall: 2914.02, 0.00290495/step, 3.22498 hours remaining, 204.550781 MB of memory in use. ENERGY: 1003400 725.6912 2079.9517 1974.0077 123.3133 -206125.5532 17636.5960 0.0000 0.0000 34053.4934 -149532.5000 297.3976 -183585.9934 -149435.7111 298.2555 -222.7900 -194.4047 559214.0798 -16.2530 -16.2666 PRESSURE: 1003600 2.56139 60.8965 53.2347 60.8965 154.887 186.063 53.2336 186.062 -43.6293 GPRESSURE: 1003600 38.9091 113.105 165.403 138.963 193.608 83.49 -9.66189 209.587 -28.6127 PRESSAVG: 1003600 45.3261 21.2597 -13.9471 21.2596 -72.0804 11.2799 -13.9473 11.2799 20.4898 GPRESSAVG: 1003600 45.2273 19.0338 -11.5658 23.0447 -70.6655 11.1281 -14.1556 10.949 19.5358 TIMING: 1003600 CPU: 2914.6, 0.00290619/step Wall: 2914.6, 0.00290619/step, 3.22619 hours remaining, 204.550781 MB of memory in use. ENERGY: 1003600 710.6322 2017.2101 1971.0608 114.9481 -206286.8488 17820.6837 0.0000 0.0000 34236.8407 -149415.4732 298.9988 -183652.3139 -149316.1402 297.7643 37.9396 67.9683 557652.8245 -2.0882 -1.9674 PRESSURE: 1003800 346.464 152.033 -78.4393 152.033 30.823 -95.3014 -78.4402 -95.3011 68.0893 GPRESSURE: 1003800 337.549 190.759 -136.074 142.903 104.841 -119.293 -39.8261 -56.5993 109.275 PRESSAVG: 1003800 31.1366 -0.448802 8.37631 -0.448804 -27.9136 40.7471 8.37627 40.7472 11.852 GPRESSAVG: 1003800 32.2312 1.17228 8.52648 -2.75396 -28.5179 40.8051 8.68031 40.8881 11.3639 TIMING: 1003800 CPU: 2915.18, 0.00290643/step Wall: 2915.18, 0.00290643/step, 3.2263 hours remaining, 204.808594 MB of memory in use. ENERGY: 1003800 750.5426 2045.1787 1964.3192 109.3186 -206299.5666 17935.6664 0.0000 0.0000 34324.5637 -149169.9775 299.7650 -183494.5411 -149072.9302 298.6171 148.4588 183.8882 557636.6446 5.0250 5.0257 PRESSURE: 1004000 190.324 -143.445 -65.3769 -143.446 -117.553 14.6815 -65.3777 14.6804 154.428 GPRESSURE: 1004000 267.455 -152.97 -74.0401 -172.376 -92.4092 -2.81345 -36.4364 -64.7654 145.049 PRESSAVG: 1004000 25.3002 21.9621 9.73772 21.9621 -7.32112 -3.0989 9.73765 -3.09896 0.0422757 GPRESSAVG: 1004000 24.4288 19.6879 11.4553 22.2613 -6.28053 -1.895 9.52627 -3.26917 -0.530526 TIMING: 1004000 CPU: 2915.76, 0.00290015/step Wall: 2915.76, 0.00290015/step, 3.21916 hours remaining, 204.808594 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: 1004000 720.0686 2081.2607 1957.3307 101.0946 -206233.0927 18009.1280 0.0000 0.0000 34290.7637 -149073.4465 299.4698 -183364.2102 -148980.4099 299.6260 75.7328 106.6984 558444.4290 6.0071 5.8726 PRESSURE: 1004200 165.722 -121.875 -104.647 -121.875 -122.724 56.2195 -104.647 56.2174 64.4798 GPRESSURE: 1004200 144.44 -109.878 -47.7901 -69.7575 -27.6276 233.679 -104.604 -9.36107 79.7 PRESSAVG: 1004200 -30.15 -26.24 -38.4439 -26.2399 -54.5275 16.6285 -38.4438 16.6285 69.5373 GPRESSAVG: 1004200 -29.9257 -24.6798 -38.3217 -26.1779 -54.5955 15.6946 -39.3119 15.9705 69.405 TIMING: 1004200 CPU: 2916.34, 0.00287411/step Wall: 2916.34, 0.00287411/step, 3.1901 hours remaining, 204.808594 MB of memory in use. ENERGY: 1004200 766.0443 2063.8238 1980.8142 118.5738 -206617.7678 18195.3084 0.0000 0.0000 34376.5183 -149116.6851 300.2187 -183493.2034 -149023.8373 299.3671 35.8257 65.5041 558863.4307 -5.0467 -5.0387 LDB: ============= START OF LOAD BALANCING ============== 2919.8 LDB: ============== END OF LOAD BALANCING =============== 2919.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2919.8 LDB: ============= START OF LOAD BALANCING ============== 2920.09 LDB: Largest compute 4820 load 0.026428 is 22.5% of average load 0.117708 LDB: Average compute 0.001733 is 1.5% of average load 0.117708 LDB: TIME 2920.09 LOAD: AVG 0.117708 MAX 0.176327 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.441 MB LDB: TIME 2920.09 LOAD: AVG 0.117708 MAX 0.176327 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.441 MB LDB: TIME 2920.09 LOAD: AVG 0.117708 MAX 0.176327 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.441 MB LDB: ============== END OF LOAD BALANCING =============== 2920.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2920.1 PRESSURE: 1004400 200.675 -16.1345 111.278 -16.1349 -49.8011 15.0675 111.277 15.0664 -188.778 GPRESSURE: 1004400 254.621 -57.5498 172.256 -80.5317 -67.9957 112.502 94.0664 -10.1019 -124.739 PRESSAVG: 1004400 23.1117 -44.0286 33.4646 -44.0285 -6.93392 56.4443 33.4646 56.4443 -29.1664 GPRESSAVG: 1004400 23.6328 -44.2351 31.8802 -41.9576 -8.57158 56.3603 34.2647 56.8974 -27.9252 TIMING: 1004400 CPU: 2916.92, 0.00294055/step Wall: 2916.92, 0.00294055/step, 3.26368 hours remaining, 202.656250 MB of memory in use. ENERGY: 1004400 769.5438 2110.2128 1943.1211 117.6439 -206509.5107 17857.0214 0.0000 0.0000 34577.8833 -149134.0844 301.9773 -183711.9677 -149036.4218 299.0045 -12.6348 20.6289 556887.3576 -4.3295 -4.2880 PRESSURE: 1004600 20.0198 -99.2429 -156.435 -99.2417 -193.645 75.3476 -156.436 75.3494 -66.7713 GPRESSURE: 1004600 20.2848 -117.153 -118.22 -134.009 -118.991 64.4424 -247.93 -5.14351 -50.2486 PRESSAVG: 1004600 -17.2813 -43.4744 8.77281 -43.4744 -2.61045 -14.698 8.77281 -14.698 3.6953 GPRESSAVG: 1004600 -17.1348 -43.0294 9.2282 -44.064 -1.20857 -13.6253 8.67732 -14.1253 2.32508 TIMING: 1004600 CPU: 2917.5, 0.00287226/step Wall: 2917.5, 0.00287226/step, 3.18773 hours remaining, 202.734375 MB of memory in use. ENERGY: 1004600 762.1795 2080.8691 1959.6592 123.7236 -206087.7436 17872.3454 0.0000 0.0000 34068.7163 -149220.2505 297.5306 -183288.9668 -149118.4944 299.4545 -80.1323 -49.6515 560047.6535 -5.3988 -5.3394 PRESSURE: 1004800 -69.5526 -20.9581 -42.347 -20.9577 30.2077 -185.912 -42.3474 -185.912 -83.5578 GPRESSURE: 1004800 -84.6958 26.1053 -137.801 -39.3158 68.2006 -195.928 -49.2107 -109.185 -1.08509 PRESSAVG: 1004800 2.82702 -19.5432 -36.0345 -19.5432 -45.9875 -22.1217 -36.0343 -22.1216 19.9663 GPRESSAVG: 1004800 2.91851 -19.8034 -35.7451 -21.3448 -46.9637 -23.4214 -34.6803 -20.4779 20.5695 TIMING: 1004800 CPU: 2918.07, 0.00287054/step Wall: 2918.07, 0.00287054/step, 3.18567 hours remaining, 202.734375 MB of memory in use. ENERGY: 1004800 797.5941 2150.0389 1969.9885 112.5816 -206362.3763 17905.8945 0.0000 0.0000 34143.9306 -149282.3482 298.1874 -183426.2787 -149183.2911 298.6722 -40.9676 -5.8601 556712.4396 -7.7314 -7.8252 PRESSURE: 1005000 -173.612 78.9451 -92.5706 78.9445 204.777 139.696 -92.5713 139.694 162.537 GPRESSURE: 1005000 -115.544 8.62117 5.87759 10.7412 167.276 205.326 -43.3126 124.465 234.243 PRESSAVG: 1005000 -88.679 -24.1734 4.71491 -24.1733 95.6726 47.7679 4.7149 47.7679 -23.9542 GPRESSAVG: 1005000 -88.1062 -24.2211 4.19481 -22.9035 96.728 47.2281 4.88735 45.4639 -25.2817 TIMING: 1005000 CPU: 2918.65, 0.00289776/step Wall: 2918.65, 0.00289776/step, 3.21571 hours remaining, 202.734375 MB of memory in use. ENERGY: 1005000 744.4671 2162.5098 1996.1886 119.1833 -206329.4146 18049.1838 0.0000 0.0000 33950.4643 -149307.4178 296.4978 -183257.8820 -149209.8600 298.2399 64.5673 95.3251 558481.9716 -5.6535 -5.5533 PRESSURE: 1005200 -95.4871 -39.6764 54.6281 -39.6752 -105.174 42.3701 54.6292 42.3698 -209.339 GPRESSURE: 1005200 -53.5711 -14.2696 7.40297 -15.5836 -41.6583 5.83671 85.1702 55.868 -219.774 PRESSAVG: 1005200 -92.2971 36.5453 16.1039 36.5453 72.9253 -30.8218 16.1039 -30.8218 37.6438 GPRESSAVG: 1005200 -93.0371 36.3126 14.4449 36.4474 72.0744 -31.6384 15.6231 -29.2278 38.5892 TIMING: 1005200 CPU: 2919.23, 0.0028838/step Wall: 2919.23, 0.0028838/step, 3.20006 hours remaining, 202.734375 MB of memory in use. ENERGY: 1005200 779.4238 2153.7500 1949.5402 122.8939 -206461.9740 17757.0747 0.0000 0.0000 34197.8783 -149501.4133 298.6586 -183699.2915 -149408.7716 298.2973 -136.6667 -105.0011 558047.9293 6.0906 5.8755 PRESSURE: 1005400 -289.209 19.1029 67.3233 19.1031 -258.496 -124.391 67.3237 -124.391 -323.42 GPRESSURE: 1005400 -305.622 -7.15533 70.7451 -63.9743 -193.737 -123.764 11.8245 -122.398 -270.833 PRESSAVG: 1005400 13.8455 36.3244 -0.6865 36.3245 -5.02634 -3.02406 -0.686501 -3.02412 -18.0203 GPRESSAVG: 1005400 13.437 36.9793 0.471007 34.2937 -4.80443 -1.33715 -0.326622 -4.41444 -18.6326 TIMING: 1005400 CPU: 2919.8, 0.00286946/step Wall: 2919.8, 0.00286946/step, 3.18399 hours remaining, 202.734375 MB of memory in use. ENERGY: 1005400 781.5352 2106.2675 1995.6376 118.7140 -205784.8608 17298.7321 0.0000 0.0000 34090.4829 -149393.4914 297.7207 -183483.9744 -149298.2387 298.5801 -290.3751 -256.7307 557707.5281 -3.0671 -3.3334 PRESSURE: 1005600 -15.8231 -74.9398 -18.6869 -74.94 -133.479 -39.7017 -18.6867 -39.7008 -6.75268 GPRESSURE: 1005600 80.5886 -52.7109 -68.4604 -34.9552 -108.125 31.3021 -137.382 -59.0386 -23.8033 PRESSAVG: 1005600 14.4227 -23.9477 -6.40321 -23.9477 -20.262 10.4137 -6.40312 10.4136 33.4094 GPRESSAVG: 1005600 14.3079 -24.7614 -4.61446 -20.8701 -20.572 9.92187 -8.32868 10.4819 33.4456 TIMING: 1005600 CPU: 2920.38, 0.00287701/step Wall: 2920.38, 0.00287701/step, 3.19221 hours remaining, 202.734375 MB of memory in use. ENERGY: 1005600 745.3241 2176.3634 1975.9457 115.9203 -206049.0180 17637.3573 0.0000 0.0000 34169.5337 -149228.5734 298.4110 -183398.1071 -149135.5167 298.7925 -52.0182 -17.1133 557862.4122 9.1900 9.0605 PRESSURE: 1005800 -126.92 -33.3946 66.1164 -33.3943 -271.212 -9.69489 66.1156 -9.69488 -177.02 GPRESSURE: 1005800 -125.519 -76.1106 23.8738 31.8505 -218.471 -110.724 108.682 37.4779 -136.341 PRESSAVG: 1005800 -4.98532 -20.641 -15.9871 -20.641 -9.6515 -42.1251 -15.9872 -42.125 45.3111 GPRESSAVG: 1005800 -4.41767 -19.7067 -16.101 -19.8895 -8.72872 -41.3793 -16.4163 -41.8328 44.1419 TIMING: 1005800 CPU: 2920.96, 0.00289418/step Wall: 2920.96, 0.00289418/step, 3.21109 hours remaining, 202.734375 MB of memory in use. ENERGY: 1005800 748.9588 2163.3269 1974.8395 113.8822 -206026.5801 17579.5828 0.0000 0.0000 34273.6172 -149172.3727 299.3200 -183445.9899 -149074.3436 299.3235 -191.7173 -160.1101 557825.3875 10.2248 10.3318 PRESSURE: 1006000 97.6905 -106.145 -75.2556 -106.143 -67.7736 18.4361 -75.2562 18.437 -242.646 GPRESSURE: 1006000 151.529 -155.594 -68.9314 -38.3859 -103.843 -62.0309 -45.3548 31.9563 -170.969 PRESSAVG: 1006000 21.882 -18.836 -3.84002 -18.8361 6.19514 68.4572 -3.83998 68.4571 -11.0177 GPRESSAVG: 1006000 21.6686 -18.1359 -4.62398 -19.0454 6.55748 67.256 -0.813456 67.9079 -10.9078 TIMING: 1006000 CPU: 2921.54, 0.00289393/step Wall: 2921.54, 0.00289393/step, 3.21066 hours remaining, 202.734375 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: 1006000 732.5284 2091.6492 1978.5782 114.3935 -206305.6104 17849.0922 0.0000 0.0000 34441.1381 -149098.2307 300.7830 -183539.3689 -148998.8389 300.1126 -70.9096 -41.0942 559383.9303 5.6865 5.7728 PRESSURE: 1006200 66.3358 -45.5896 84.8978 -45.5895 78.9306 33.177 84.8988 33.1763 40.7163 GPRESSURE: 1006200 62.0936 -84.2091 128.829 -94.0826 121.99 -9.44452 46.7261 67.4548 91.8379 PRESSAVG: 1006200 17.2042 -61.214 40.0591 -61.2141 11.4244 -24.9555 40.0593 -24.9554 -23.7814 GPRESSAVG: 1006200 17.4823 -63.6244 37.9371 -62.3254 10.0333 -24.0284 40.9436 -25.4498 -23.2935 TIMING: 1006200 CPU: 2922.11, 0.00288114/step Wall: 2922.11, 0.00288114/step, 3.1963 hours remaining, 202.734375 MB of memory in use. ENERGY: 1006200 794.1835 2116.7959 1968.4652 105.6073 -206423.2552 17985.8907 0.0000 0.0000 34458.0221 -148994.2906 300.9305 -183452.3127 -148896.7436 300.5507 61.9942 91.9737 557622.9000 1.6157 1.4073 PRESSURE: 1006400 -95.5504 -219.591 99.7662 -219.591 48.3607 0.327965 99.7654 0.327168 -94.5597 GPRESSURE: 1006400 -58.9343 -242.789 54.8728 -237.862 41.1819 21.8195 92.4804 65.5391 -22.7732 PRESSAVG: 1006400 -28.4589 -45.854 17.5166 -45.8541 4.03163 -47.7048 17.5164 -47.7047 28.9427 GPRESSAVG: 1006400 -29.2104 -42.1287 19.128 -47.5306 4.84297 -48.7617 16.5546 -45.7029 29.1762 TIMING: 1006400 CPU: 2922.69, 0.0029019/step Wall: 2922.69, 0.0029019/step, 3.21918 hours remaining, 202.734375 MB of memory in use. ENERGY: 1006400 755.0502 2151.0143 1969.2307 106.2681 -206297.8418 17901.0212 0.0000 0.0000 34314.9767 -149100.2807 299.6812 -183415.2574 -149001.9476 299.6072 -47.2498 -13.5085 557986.7092 1.5052 1.6029 PRESSURE: 1006600 -4.81356 -26.6952 -22.2402 -26.6966 72.7191 -119.089 -22.24 -119.087 -93.6713 GPRESSURE: 1006600 28.8189 -76.6385 67.061 -74.7099 110.275 -110.381 -96.1354 -68.6076 -58.8627 PRESSAVG: 1006600 2.19469 -25.8224 -30.8506 -25.8223 -50.9981 -2.26411 -30.8506 -2.26412 57.4513 GPRESSAVG: 1006600 1.54168 -28.5591 -28.9359 -25.176 -51.2561 -2.28465 -32.4803 -3.28344 58.4516 TIMING: 1006600 CPU: 2923.26, 0.00285907/step Wall: 2923.26, 0.00285907/step, 3.1715 hours remaining, 202.734375 MB of memory in use. ENERGY: 1006600 709.1494 2081.8294 1969.8473 104.4735 -206143.3025 17778.1687 0.0000 0.0000 34299.5930 -149200.2413 299.5469 -183499.8343 -149102.1957 299.5461 -8.5886 26.7438 559048.3907 2.8826 2.9124 PRESSURE: 1006800 -121.092 -109.291 54.9195 -109.29 -95.9052 -15.6479 54.92 -15.6478 -38.4253 GPRESSURE: 1006800 -58.7879 -130.129 138.625 -29.8682 -47.4547 -101.822 5.4359 36.5446 -31.7675 PRESSAVG: 1006800 -38.2933 -45.3162 -0.118001 -45.3162 -11.065 54.3071 -0.118034 54.3071 14.8678 GPRESSAVG: 1006800 -37.7098 -44.8376 -1.81952 -43.6994 -11.1019 53.0452 1.07755 53.4467 14.3171 TIMING: 1006800 CPU: 2923.84, 0.00288615/step Wall: 2923.84, 0.00288615/step, 3.20138 hours remaining, 202.734375 MB of memory in use. ENERGY: 1006800 733.3338 2057.6360 1994.2975 117.1991 -206130.2137 17814.2937 0.0000 0.0000 34351.3714 -149062.0822 299.9991 -183413.4537 -148972.1208 299.6350 -85.1410 -46.0034 559446.0048 -11.4968 -11.4982 PRESSURE: 1007000 20.2013 25.7902 50.1531 25.7904 -241.739 73.2201 50.1525 73.2209 -106.611 GPRESSURE: 1007000 28.7772 -75.2847 73.0664 68.1358 -218.66 92.6926 98.7031 81.8546 -37.0699 PRESSAVG: 1007000 2.03573 -22.4517 79.6191 -22.4517 -36.4036 18.8255 79.6191 18.8254 49.8239 GPRESSAVG: 1007000 1.09602 -24.7317 82.2579 -21.0418 -34.887 19.238 79.7347 21.9535 48.9005 TIMING: 1007000 CPU: 2924.42, 0.00289355/step Wall: 2924.42, 0.00289355/step, 3.20943 hours remaining, 202.734375 MB of memory in use. ENERGY: 1007000 779.7872 2074.6908 1977.5322 107.4440 -206191.2108 17863.3032 0.0000 0.0000 34358.3400 -149030.1135 300.0599 -183388.4535 -148933.9759 299.3292 -109.3828 -75.6510 558286.8273 5.1520 5.0365 PRESSURE: 1007200 -3.14997 -33.3038 -14.6249 -33.304 -88.113 46.686 -14.6252 46.6866 90.0762 GPRESSURE: 1007200 -8.24834 3.71001 5.98064 -58.9811 9.56103 61.9173 3.06072 -3.52189 74.6488 PRESSAVG: 1007200 -42.8385 6.88807 56.025 6.88811 2.07212 52.6405 56.025 52.6405 41.5785 GPRESSAVG: 1007200 -43.8697 10.7727 53.8908 4.9576 2.17655 54.0345 56.6315 50.1113 41.4303 TIMING: 1007200 CPU: 2925, 0.00290311/step Wall: 2925, 0.00290311/step, 3.21988 hours remaining, 202.734375 MB of memory in use. ENERGY: 1007200 746.6136 2087.7784 1999.3599 113.9835 -206159.7796 17740.2893 0.0000 0.0000 34368.0486 -149103.7063 300.1447 -183471.7549 -149007.9398 299.1287 -0.3956 25.3205 557871.5943 0.2707 -0.0876 PRESSURE: 1007400 -141.29 -56.3073 -63.8721 -56.3074 52.5723 60.7297 -63.8724 60.7282 80.5701 GPRESSURE: 1007400 -95.2121 -84.1307 28.3297 -41.6278 68.4067 4.61535 -141.219 14.7519 104.374 PRESSAVG: 1007400 -72.1511 36.9858 34.8376 36.9859 -21.4962 38.0817 34.8376 38.0816 112.244 GPRESSAVG: 1007400 -70.3066 36.3074 35.958 36.8766 -22.7239 38.2516 35.5954 38.3143 111.694 TIMING: 1007400 CPU: 2925.58, 0.00287901/step Wall: 2925.58, 0.00287901/step, 3.19298 hours remaining, 202.734375 MB of memory in use. ENERGY: 1007400 785.9270 2062.6435 1962.3717 124.4323 -206398.7891 17878.5640 0.0000 0.0000 34372.2260 -149212.6246 300.1812 -183584.8506 -149116.3206 298.9974 -2.7159 25.8562 558199.8886 6.1989 6.2213 PRESSURE: 1007600 -98.1408 89.2856 12.7104 89.2848 80.8464 -38.0834 12.7114 -38.0827 63.3589 GPRESSURE: 1007600 -107.566 134.816 21.4285 52.6461 165.299 -59.906 79.3521 -21.9642 94.324 PRESSAVG: 1007600 -33.7103 67.3306 73.3737 67.3305 41.378 25.7561 73.3737 25.756 16.8321 GPRESSAVG: 1007600 -34.9039 64.9182 72.809 67.6034 42.3908 24.9935 72.0489 24.3908 17.1665 TIMING: 1007600 CPU: 2926.16, 0.00289087/step Wall: 2926.16, 0.00289087/step, 3.20597 hours remaining, 202.734375 MB of memory in use. ENERGY: 1007600 721.3688 2095.1085 1949.0910 111.4138 -206173.2796 17713.6202 0.0000 0.0000 34222.3686 -149360.3087 298.8725 -183582.6773 -149258.8050 299.1749 15.3549 50.6858 558671.6987 8.1666 8.2178 PRESSURE: 1007800 -50.8988 -13.0783 126.908 -13.0781 -120.246 14.7139 126.907 14.7144 -117.853 GPRESSURE: 1007800 -18.0199 24.4987 139.957 -95.1403 -91.3967 99.1139 203.179 -63.7614 -90.2164 PRESSAVG: 1007800 -73.586 15.9712 6.68041 15.9712 83.9814 10.4513 6.6804 10.4513 5.42767 GPRESSAVG: 1007800 -72.2957 17.0492 5.73227 16.2935 83.2923 9.07283 9.48663 11.5436 5.08935 TIMING: 1007800 CPU: 2926.73, 0.00289014/step Wall: 2926.73, 0.00289014/step, 3.20501 hours remaining, 202.734375 MB of memory in use. ENERGY: 1007800 741.5660 2062.9093 1990.7688 111.0718 -206273.1784 17816.1646 0.0000 0.0000 34336.4660 -149214.2319 299.8689 -183550.6979 -149116.3264 298.9826 -96.3327 -66.5443 558284.0099 5.2744 5.3620 PRESSURE: 1008000 41.4651 -4.85973 166.357 -4.85941 -104.592 142.909 166.356 142.91 -73.3192 GPRESSURE: 1008000 36.2219 51.1194 201.622 -62.266 -69.137 105.098 107.942 217.722 10.3428 PRESSAVG: 1008000 3.92568 39.6195 7.9718 39.6194 39.6796 6.08242 7.9717 6.08248 -1.35475 GPRESSAVG: 1008000 4.42283 39.9596 8.80524 37.5943 38.8357 7.40114 5.19314 8.12597 -0.917784 TIMING: 1008000 CPU: 2927.31, 0.00289256/step Wall: 2927.31, 0.00289256/step, 3.20752 hours remaining, 202.734375 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: 1008000 748.0109 2088.4379 1977.9287 104.5573 -206367.5111 17869.2471 0.0000 0.0000 34314.7037 -149264.6256 299.6788 -183579.3293 -149168.4809 300.4077 -45.4819 -7.5241 557725.9431 14.0835 14.1136 PRESSURE: 1008200 -12.4597 -53.8748 -52.8695 -53.8742 170.615 72.7123 -52.8693 72.7138 238.429 GPRESSURE: 1008200 30.7877 -51.1348 -99.4879 -70.298 200.692 31.1949 -12.2776 167.698 254.71 PRESSAVG: 1008200 18.8747 62.2834 37.1 62.2834 45.4045 4.09964 37.0999 4.09978 17.1807 GPRESSAVG: 1008200 19.0124 62.1105 36.7111 63.4847 45.6349 3.57078 38.2112 4.69761 17.3711 TIMING: 1008200 CPU: 2927.89, 0.00289778/step Wall: 2927.89, 0.00289778/step, 3.21316 hours remaining, 202.734375 MB of memory in use. ENERGY: 1008200 737.4512 2106.9796 1954.4000 119.7404 -206586.0600 18050.6175 0.0000 0.0000 34374.4437 -149242.4276 300.2006 -183616.8713 -149146.7719 299.1983 132.1947 162.0633 557298.2632 27.1533 27.3395 LDB: ============= START OF LOAD BALANCING ============== 2931.36 LDB: ============== END OF LOAD BALANCING =============== 2931.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2931.36 LDB: ============= START OF LOAD BALANCING ============== 2931.65 LDB: Largest compute 4820 load 0.028042 is 23.8% of average load 0.117622 LDB: Average compute 0.001737 is 1.5% of average load 0.117622 LDB: TIME 2931.65 LOAD: AVG 0.117622 MAX 0.179854 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.453 MB LDB: TIME 2931.65 LOAD: AVG 0.117622 MAX 0.179854 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.453 MB LDB: TIME 2931.65 LOAD: AVG 0.117622 MAX 0.179854 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2931.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2931.66 PRESSURE: 1008400 -137.097 73.9593 -57.8031 73.958 -31.8955 -36.5527 -57.8033 -36.5533 -136.196 GPRESSURE: 1008400 -116.216 57.1477 -26.4959 57.9715 -12.812 -56.1622 -142.525 -38.615 -84.7319 PRESSAVG: 1008400 -19.9063 -4.65099 20.3868 -4.65103 -50.5267 -42.9506 20.3867 -42.9506 66.7855 GPRESSAVG: 1008400 -21.0801 -4.01985 20.381 -4.94588 -50.5007 -43.2243 20.1138 -44.4322 68.2173 TIMING: 1008400 CPU: 2928.48, 0.00296682/step Wall: 2928.48, 0.00296682/step, 3.28955 hours remaining, 205.675781 MB of memory in use. ENERGY: 1008400 727.6114 2085.9595 1958.4821 125.2712 -206145.6034 17732.6402 0.0000 0.0000 34293.7356 -149221.9034 299.4957 -183515.6389 -149124.0222 298.8072 -101.7295 -71.2532 558622.1327 -1.2158 -1.1212 PRESSURE: 1008600 113.533 5.85238 123.032 5.85239 -43.8664 59.7587 123.03 59.7607 -14.5698 GPRESSURE: 1008600 94.9022 -10.4975 166.505 -3.35395 17.9633 96.7327 88.0969 65.0056 41.5327 PRESSAVG: 1008600 -11.136 53.8262 -27.2581 53.8263 -8.2053 52.2111 -27.2582 52.211 29.3943 GPRESSAVG: 1008600 -9.94064 54.2213 -28.1976 55.3498 -7.61495 52.6034 -25.8737 50.6398 27.3135 TIMING: 1008600 CPU: 2929.07, 0.00293822/step Wall: 2929.07, 0.00293822/step, 3.25766 hours remaining, 205.675781 MB of memory in use. ENERGY: 1008600 702.3109 2093.9478 1989.5128 111.0507 -205972.6372 17727.1439 0.0000 0.0000 33988.9986 -149359.6726 296.8344 -183348.6712 -149256.0618 298.6151 18.3656 51.4660 557626.7109 3.3510 3.2526 PRESSURE: 1008800 65.0866 49.947 -126.521 49.9481 -82.8534 99.8064 -126.521 99.8053 46.4586 GPRESSURE: 1008800 64.8153 84.1529 -123.442 41.2394 -33.2167 106.064 -140.727 142.059 95.0402 PRESSAVG: 1008800 20.0933 32.5938 27.828 32.594 -35.6078 40.4011 27.8279 40.401 -23.4545 GPRESSAVG: 1008800 18.6259 31.132 28.138 31.4983 -35.4959 40.5087 25.7417 41.5666 -22.3898 TIMING: 1008800 CPU: 2929.65, 0.00290778/step Wall: 2929.65, 0.00290778/step, 3.22375 hours remaining, 205.675781 MB of memory in use. ENERGY: 1008800 688.0586 2053.1731 1951.6143 117.2325 -206019.7657 17684.9311 0.0000 0.0000 34218.6157 -149306.1405 298.8397 -183524.7561 -149206.6945 298.9315 9.5640 42.2130 556696.1506 -12.9897 -13.0866 PRESSURE: 1009000 -99.2955 21.8793 -107.919 21.8799 -121.657 -86.7666 -107.919 -86.7682 101.346 GPRESSURE: 1009000 -65.1519 51.4524 -152.007 -29.4219 -106.851 -32.1529 -70.1098 -83.1714 147.982 PRESSAVG: 1009000 52.4103 -3.24198 17.6122 -3.24199 27.4458 6.66986 17.6123 6.66985 -54.1391 GPRESSAVG: 1009000 52.2749 -0.999276 17.6012 -4.1761 26.8658 5.61866 17.2624 6.98985 -53.436 TIMING: 1009000 CPU: 2930.23, 0.00289184/step Wall: 2930.23, 0.00289184/step, 3.20592 hours remaining, 205.675781 MB of memory in use. ENERGY: 1009000 797.3487 2028.5656 1957.8624 101.8942 -206429.7919 17911.5279 0.0000 0.0000 34360.6929 -149271.9001 300.0805 -183632.5930 -149184.0409 298.0867 -39.8690 -8.0070 557058.1348 8.5724 8.5682 PRESSURE: 1009200 -2.02052 -259.898 80.6513 -259.898 -245.346 -8.91197 80.6523 -8.91306 -264.987 GPRESSURE: 1009200 20.4043 -297.49 61.7658 -273.384 -213.221 3.07075 98.959 -55.1505 -227.284 PRESSAVG: 1009200 -42.4194 45.8119 24.3333 45.8119 37.9099 -26.1468 24.3333 -26.1467 30.4506 GPRESSAVG: 1009200 -41.3571 44.6065 24.5977 46.1784 36.4328 -24.8599 24.8359 -26.4931 31.0147 TIMING: 1009200 CPU: 2930.81, 0.00287714/step Wall: 2930.81, 0.00287714/step, 3.18947 hours remaining, 205.675781 MB of memory in use. ENERGY: 1009200 759.6107 2125.3862 1968.7442 122.6107 -205747.3136 17426.8269 0.0000 0.0000 33990.1905 -149353.9445 296.8448 -183344.1351 -149258.9983 298.3944 -170.7843 -140.0335 558211.1095 8.6470 8.6968 PRESSURE: 1009400 -191.36 23.616 41.4028 23.6164 -243.439 -20.2434 41.4024 -20.2436 -82.7376 GPRESSURE: 1009400 -140.984 -0.523132 -33.1606 -13.1588 -190.378 -28.0532 61.7531 -32.1286 -92.8058 PRESSAVG: 1009400 41.7857 6.77185 37.1361 6.77183 -33.2944 -38.9764 37.1362 -38.9764 3.91803 GPRESSAVG: 1009400 40.1203 5.94352 35.4242 5.32593 -31.4286 -39.8943 39.0695 -38.1563 3.91597 TIMING: 1009400 CPU: 2931.39, 0.00289679/step Wall: 2931.39, 0.00289679/step, 3.2111 hours remaining, 205.882812 MB of memory in use. ENERGY: 1009400 807.1351 2083.3392 1985.5927 121.8903 -206291.9738 17775.7680 0.0000 0.0000 34174.8172 -149343.4312 298.4572 -183518.2484 -149247.0199 298.4585 -172.5124 -141.3895 558093.2172 4.1365 4.2025 PRESSURE: 1009600 -79.3149 -74.0336 -103.87 -74.0351 -183.062 -236.195 -103.869 -236.195 -167.627 GPRESSURE: 1009600 -9.83532 -56.8742 -43.2849 -88.4459 -150.319 -151.796 -56.128 -243.858 -167.77 PRESSAVG: 1009600 44.4352 -21.4014 -53.0427 -21.4014 58.7843 -43.8745 -53.0427 -43.8746 -58.8251 GPRESSAVG: 1009600 46.0206 -19.7156 -52.1184 -19.7608 58.2788 -43.6539 -52.5079 -43.9281 -59.3062 TIMING: 1009600 CPU: 2931.97, 0.00289792/step Wall: 2931.97, 0.00289792/step, 3.21219 hours remaining, 205.882812 MB of memory in use. ENERGY: 1009600 735.6401 2047.9806 1963.7296 112.6006 -206120.5816 17596.8089 0.0000 0.0000 34291.5895 -149372.2323 299.4770 -183663.8218 -149281.2525 298.7816 -143.3346 -109.3081 557609.9324 14.7981 14.9977 PRESSURE: 1009800 -92.7478 -155.603 -135.663 -155.604 -258.897 -92.2209 -135.662 -92.2212 84.6123 GPRESSURE: 1009800 -20.9468 -196.52 -125.543 -151.82 -260.443 -88.5926 -66.0734 -118.163 104.022 PRESSAVG: 1009800 14.7098 -36.9012 -14.4965 -36.9014 -68.0809 -30.5062 -14.4964 -30.5063 44.4215 GPRESSAVG: 1009800 15.6112 -38.1471 -11.8531 -38.7729 -68.4009 -29.2574 -16.2875 -31.9524 44.0452 TIMING: 1009800 CPU: 2932.54, 0.00289126/step Wall: 2932.54, 0.00289126/step, 3.20465 hours remaining, 205.882812 MB of memory in use. ENERGY: 1009800 775.6266 2066.4375 1959.6339 122.1727 -206305.0928 17740.8095 0.0000 0.0000 34395.5259 -149244.8867 300.3847 -183640.4126 -149150.4339 298.5752 -89.0108 -59.1228 558492.3817 -2.9832 -2.9149 PRESSURE: 1010000 -93.9674 -38.9166 167.673 -38.9171 -214.184 47.5189 167.674 47.5199 -309.834 GPRESSURE: 1010000 -99.555 13.0124 47.6027 -33.9453 -160.82 124.102 213.457 10.3963 -260.494 PRESSAVG: 1010000 61.0939 -5.89045 57.1286 -5.89048 -51.6704 -22.2576 57.1286 -22.2576 -30.2129 GPRESSAVG: 1010000 60.2864 -6.17108 56.1815 -2.69851 -50.3527 -21.5414 56.9818 -21.9191 -30.5461 TIMING: 1010000 CPU: 2933.13, 0.00290912/step Wall: 2933.13, 0.00290912/step, 3.22428 hours remaining, 205.882812 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: 1010000 749.5644 2105.8462 1972.6990 120.5510 -206204.3317 17734.3044 0.0000 0.0000 34243.2858 -149278.0810 299.0551 -183521.3668 -149181.5643 298.8565 -205.9951 -173.6231 558889.2594 -6.9298 -6.8708 PRESSURE: 1010200 4.47623 30.9199 -9.53795 30.9185 -31.8239 -41.6001 -9.53944 -41.5984 46.1536 GPRESSURE: 1010200 44.5989 22.8063 -22.2176 58.9036 -5.2995 -38.3183 -21.3232 -58.664 74.7136 PRESSAVG: 1010200 15.1494 3.05838 -29.0816 3.05827 -6.29082 -29.2681 -29.0816 -29.268 -38.3796 GPRESSAVG: 1010200 15.6699 4.68941 -30.689 0.136788 -6.15543 -28.3083 -27.3872 -28.4992 -38.8115 TIMING: 1010200 CPU: 2933.71, 0.00293881/step Wall: 2933.71, 0.00293881/step, 3.25701 hours remaining, 205.882812 MB of memory in use. ENERGY: 1010200 720.1719 2109.7123 1976.7421 124.5795 -206102.1503 17718.3609 0.0000 0.0000 34154.5198 -149298.0638 298.2799 -183452.5836 -149197.0087 298.5902 6.2687 38.0043 556542.6649 -9.8403 -9.7657 PRESSURE: 1010400 -31.612 42.4727 217.337 42.4715 60.8803 125.207 217.336 125.208 71.131 GPRESSURE: 1010400 -76.3902 -8.88206 193.115 -28.354 185.569 102.791 230.866 124.609 83.9157 PRESSAVG: 1010400 6.11908 1.59327 6.97278 1.59316 10.4804 -54.7778 6.97288 -54.7779 42.3283 GPRESSAVG: 1010400 5.32318 -0.217671 7.61603 2.65258 10.0506 -58.2981 4.74299 -52.093 43.9479 TIMING: 1010400 CPU: 2934.3, 0.0029242/step Wall: 2934.3, 0.0029242/step, 3.24067 hours remaining, 205.882812 MB of memory in use. ENERGY: 1010400 713.2613 2099.5249 1970.9363 114.2437 -206528.3247 17871.3022 0.0000 0.0000 34284.2787 -149474.7777 299.4131 -183759.0564 -149379.4685 298.4727 33.4665 64.3649 555329.9794 19.6426 19.7739 PRESSURE: 1010600 -180.896 -66.9163 68.1995 -66.917 -66.0144 -259.949 68.2005 -259.949 -107.231 GPRESSURE: 1010600 -163.557 -92.2151 70.4859 -40.0795 -35.0958 -125.922 101.196 -304.256 -58.5628 PRESSAVG: 1010600 14.5632 8.96969 44.046 8.96969 31.3842 17.8258 44.046 17.8258 -22.8732 GPRESSAVG: 1010600 14.4325 9.93607 45.0171 9.38855 31.2297 17.9551 44.5594 17.3275 -22.301 TIMING: 1010600 CPU: 2934.88, 0.00290601/step Wall: 2934.88, 0.00290601/step, 3.22034 hours remaining, 205.882812 MB of memory in use. ENERGY: 1010600 732.9022 2090.2378 1985.1925 114.3709 -205984.6912 17478.9089 0.0000 0.0000 34321.8917 -149261.1872 299.7416 -183583.0790 -149158.2067 299.2625 -118.0474 -85.7387 555753.5053 7.6914 7.7871 PRESSURE: 1010800 -148.598 34.9317 63.2089 34.932 131.899 60.7529 63.2072 60.7534 28.175 GPRESSURE: 1010800 -122.161 -37.5875 30.8353 11.2705 182.504 113.934 26.3368 56.96 45.7561 PRESSAVG: 1010800 31.6312 -31.7048 -25.2808 -31.7047 -21.0508 14.4304 -25.2808 14.4303 -21.8865 GPRESSAVG: 1010800 31.239 -31.1318 -27.0711 -33.6698 -20.712 15.8527 -22.8344 12.4157 -21.7936 TIMING: 1010800 CPU: 2935.46, 0.00290668/step Wall: 2935.46, 0.00290668/step, 3.22093 hours remaining, 205.882812 MB of memory in use. ENERGY: 1010800 738.5989 2133.5831 1961.2687 122.3506 -206019.2830 17575.9397 0.0000 0.0000 34293.5500 -149193.9921 299.4941 -183487.5420 -149102.1339 299.1970 3.8252 35.3662 556973.7360 -3.7687 -3.7555 PRESSURE: 1011000 -224.113 -133.735 -19.6232 -133.736 -49.2045 4.48752 -19.6231 4.48818 -254.637 GPRESSURE: 1011000 -162.164 -102.823 -19.6696 -216.538 -79.921 126.519 69.2165 -20.0351 -187.646 PRESSAVG: 1011000 -47.826 -10.901 -15.2088 -10.9009 -13.8694 8.49012 -15.2088 8.49015 38.8285 GPRESSAVG: 1011000 -48.0451 -13.1958 -13.5393 -7.82489 -13.0274 10.5726 -16.3368 6.75211 38.5172 TIMING: 1011000 CPU: 2936.04, 0.002911/step Wall: 2936.04, 0.002911/step, 3.22555 hours remaining, 205.882812 MB of memory in use. ENERGY: 1011000 746.8444 2142.3307 1961.5474 112.0166 -205799.9471 17468.8755 0.0000 0.0000 34230.6630 -149137.6695 298.9449 -183368.3325 -149041.2323 299.2160 -175.9850 -143.2438 557753.1610 -7.6223 -7.5184 PRESSURE: 1011200 -19.9259 -10.8059 168.369 -10.8046 51.6579 63.2124 168.369 63.2126 43.8153 GPRESSURE: 1011200 13.3223 31.0434 144.184 9.84591 78.2727 74.386 145.832 42.3925 81.2187 PRESSAVG: 1011200 23.6263 38.2902 -3.10512 38.2903 -40.8536 -18.9385 -3.10523 -18.9386 28.0317 GPRESSAVG: 1011200 24.6385 39.0475 -3.64411 36.7631 -40.6592 -21.2559 -4.40566 -17.2449 27.0969 TIMING: 1011200 CPU: 2936.63, 0.0029075/step Wall: 2936.63, 0.0029075/step, 3.22151 hours remaining, 205.882812 MB of memory in use. ENERGY: 1011200 775.4548 2104.7094 1941.3419 102.7513 -206495.7666 17978.4389 0.0000 0.0000 34390.0838 -149202.9864 300.3372 -183593.0702 -149108.9683 299.8965 25.1825 57.6046 557324.7619 3.6015 3.6921 PRESSURE: 1011400 48.784 -148.58 -25.3267 -148.578 95.4188 125.575 -25.3264 125.573 -167.973 GPRESSURE: 1011400 88.8347 -97.4278 -9.38904 -154.484 137.7 163.071 -9.42841 121.153 -165.264 PRESSAVG: 1011400 30.2599 -23.37 -7.0473 -23.3701 40.6112 -26.4664 -7.04733 -26.4664 -37.2619 GPRESSAVG: 1011400 29.719 -22.4582 -7.4485 -22.728 40.8226 -24.6154 -4.46648 -26.5745 -37.1943 TIMING: 1011400 CPU: 2937.21, 0.0029003/step Wall: 2937.21, 0.0029003/step, 3.21337 hours remaining, 205.882812 MB of memory in use. ENERGY: 1011400 754.2071 2098.3744 1951.7433 112.3951 -206154.3761 17808.0554 0.0000 0.0000 34268.8543 -149160.7464 299.2784 -183429.6007 -149065.0362 300.0286 -7.9233 20.4237 556027.9767 11.2031 11.1157 PRESSURE: 1011600 -176.895 -89.9588 -207.357 -89.9595 -113.036 79.4955 -207.358 79.497 -42.452 GPRESSURE: 1011600 -130.445 -107.025 -252.794 -85.6288 -55.635 160.976 -211.751 -64.0268 -46.4156 PRESSAVG: 1011600 -16.5479 6.11301 9.04052 6.11297 -7.38316 73.4118 9.04044 73.4118 8.6189 GPRESSAVG: 1011600 -15.6956 6.70806 9.18092 4.23432 -7.62113 74.1243 8.01715 71.8661 8.6501 TIMING: 1011600 CPU: 2937.79, 0.00292006/step Wall: 2937.79, 0.00292006/step, 3.2351 hours remaining, 205.882812 MB of memory in use. ENERGY: 1011600 755.6237 2102.5421 1952.6281 121.7485 -206239.2858 17613.9524 0.0000 0.0000 34607.0619 -149085.7291 302.2321 -183692.7911 -148988.1567 300.1532 -110.7942 -77.4987 556344.4233 -5.1041 -4.8889 PRESSURE: 1011800 199.072 -146.07 24.4946 -146.07 -285.197 73.564 24.4952 73.5637 210.101 GPRESSURE: 1011800 242.417 -170.346 -67.6276 -105.563 -253.434 65.9879 81.9525 289.802 245.345 PRESSAVG: 1011800 -37.7284 6.1113 -13.8077 6.1112 31.2494 10.8522 -13.8077 10.8524 -2.58166 GPRESSAVG: 1011800 -38.2796 5.87664 -11.8564 7.09284 31.0062 9.27054 -15.3116 12.4721 -1.43245 TIMING: 1011800 CPU: 2938.37, 0.00290824/step Wall: 2938.37, 0.00290824/step, 3.22185 hours remaining, 205.882812 MB of memory in use. ENERGY: 1011800 690.2754 2130.2816 1938.6852 100.1147 -205773.3200 17649.2003 0.0000 0.0000 34336.3121 -148928.4507 299.8676 -183264.7628 -148828.8576 300.3727 41.3254 78.1093 556365.6878 -3.0202 -2.9019 PRESSURE: 1012000 -50.3066 -59.6772 110.144 -59.6766 -10.4909 149.893 110.146 149.893 17.1056 GPRESSURE: 1012000 -25.7511 35.1106 170.576 -149.148 23.087 132.52 74.4065 122.054 64.9184 PRESSAVG: 1012000 -15.2746 21.834 28.282 21.834 24.5867 39.6722 28.282 39.672 36.6465 GPRESSAVG: 1012000 -14.2551 21.1716 26.9292 22.0526 23.9346 40.0953 28.682 37.8314 36.3482 TIMING: 1012000 CPU: 2938.95, 0.00289638/step Wall: 2938.95, 0.00289638/step, 3.20854 hours remaining, 205.882812 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: 1012000 747.3313 2141.5114 1948.9725 114.9776 -205948.8592 17655.1195 0.0000 0.0000 34265.7793 -149075.1677 299.2516 -183340.9469 -148980.3025 299.5732 -14.5640 20.7514 555601.2503 15.3195 15.3425 PRESSURE: 1012200 178.777 -97.8568 -77.1173 -97.8574 -86.0486 -63.3119 -77.1162 -63.3104 -62.3511 GPRESSURE: 1012200 153.733 -77.0938 -49.7993 -73.6049 -49.1367 -7.42366 -100.552 -27.9303 27.4017 PRESSAVG: 1012200 -1.83108 -0.17448 45.6219 -0.174438 4.41712 15.7096 45.6218 15.7096 39.3809 GPRESSAVG: 1012200 -1.96274 -0.767179 44.6259 0.421959 5.34267 17.5492 45.9677 15.5687 39.3945 TIMING: 1012200 CPU: 2939.53, 0.00290179/step Wall: 2939.53, 0.00290179/step, 3.21438 hours remaining, 205.882812 MB of memory in use. ENERGY: 1012200 750.3141 2116.7080 1962.5853 107.6492 -205937.2245 17704.0119 0.0000 0.0000 34310.0668 -148985.8891 299.6383 -183295.9559 -148894.6762 300.4775 10.1257 43.9994 557067.6007 13.9890 14.2582 LDB: ============= START OF LOAD BALANCING ============== 2943 LDB: ============== END OF LOAD BALANCING =============== 2943 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2943 LDB: ============= START OF LOAD BALANCING ============== 2943.29 LDB: Largest compute 4820 load 0.029422 is 25.0% of average load 0.117657 LDB: Average compute 0.001738 is 1.5% of average load 0.117657 LDB: TIME 2943.29 LOAD: AVG 0.117657 MAX 0.176424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.168 MB LDB: TIME 2943.29 LOAD: AVG 0.117657 MAX 0.176424 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: TIME 2943.29 LOAD: AVG 0.117657 MAX 0.176424 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.23 MB LDB: ============== END OF LOAD BALANCING =============== 2943.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2943.3 PRESSURE: 1012400 279.945 -91.7105 50.6812 -91.7113 211.328 43.1736 50.6822 43.1748 -124.677 GPRESSURE: 1012400 317.887 14.7881 74.0989 -258.692 263.235 66.4282 86.6852 -0.0660627 -113.404 PRESSAVG: 1012400 -33.5599 55.0626 -16.4234 55.0626 47.4308 -25.0073 -16.4233 -25.0075 -11.1997 GPRESSAVG: 1012400 -32.4809 55.2699 -16.25 54.5011 46.8736 -26.9252 -14.9829 -23.8774 -11.9552 TIMING: 1012400 CPU: 2940.12, 0.00297059/step Wall: 2940.12, 0.00297059/step, 3.29042 hours remaining, 203.167969 MB of memory in use. ENERGY: 1012400 731.4376 2072.5637 1958.1165 120.9498 -206114.6994 17808.5222 0.0000 0.0000 34359.1983 -149063.9114 300.0674 -183423.1097 -148971.9285 299.9062 122.1986 155.9061 555678.0169 0.8904 0.8125 PRESSURE: 1012600 72.5252 -45.7944 97.2383 -45.7948 63.935 16.7142 97.2397 16.7161 124.616 GPRESSURE: 1012600 101.586 -65.9237 140.224 -60.4072 94.9141 21.9078 103.183 -18.1063 154.517 PRESSAVG: 1012600 15.7293 51.2799 38.739 51.28 -30.7526 -21.7117 38.739 -21.7117 1.8293 GPRESSAVG: 1012600 14.3681 52.3537 37.1102 51.711 -29.5217 -21.8808 38.3297 -21.187 1.99998 TIMING: 1012600 CPU: 2940.7, 0.00289251/step Wall: 2940.7, 0.00289251/step, 3.20378 hours remaining, 203.242188 MB of memory in use. ENERGY: 1012600 718.4157 2135.9009 1964.7994 106.8143 -206094.7434 17788.2155 0.0000 0.0000 34437.6428 -148942.9547 300.7525 -183380.5975 -148845.0397 300.0918 87.0254 117.0054 556189.6428 -4.3980 -4.3846 PRESSURE: 1012800 -188.416 -54.4202 -109.722 -54.4195 5.65153 -43.8013 -109.723 -43.8036 113.292 GPRESSURE: 1012800 -123.757 -61.2476 -185.839 -101.69 19.1942 -44.2361 -171.987 -2.03508 122.773 PRESSAVG: 1012800 52.0604 40.1835 10.4744 40.1836 -20.3459 -12.9916 10.4743 -12.9917 -45.1116 GPRESSAVG: 1012800 51.9865 42.3446 10.379 39.868 -21.1147 -13.1618 10.7192 -13.5245 -44.6298 TIMING: 1012800 CPU: 2941.28, 0.00288527/step Wall: 2941.28, 0.00288527/step, 3.1956 hours remaining, 203.242188 MB of memory in use. ENERGY: 1012800 708.7658 2069.0741 1953.1349 121.1174 -205677.5075 17671.9705 0.0000 0.0000 34087.3352 -149066.1096 297.6932 -183153.4448 -148968.9256 299.9077 -23.1574 6.0700 557845.5392 -4.4657 -4.5860 PRESSURE: 1013000 -165.227 -210.057 -34.2539 -210.057 -80.082 125.106 -34.2531 125.108 -207.608 GPRESSURE: 1013000 -137.291 -157.838 -111.138 -255.402 -40.9522 122.666 -30.0303 102.838 -171.49 PRESSAVG: 1013000 1.08644 -40.8028 -42.4555 -40.8029 0.228833 -14.0184 -42.4556 -14.0185 24.7111 GPRESSAVG: 1013000 1.93649 -41.3585 -41.1622 -40.376 1.07524 -14.3421 -44.1367 -14.9564 23.7886 TIMING: 1013000 CPU: 2941.86, 0.00290491/step Wall: 2941.86, 0.00290491/step, 3.21718 hours remaining, 203.242188 MB of memory in use. ENERGY: 1013000 749.6010 2106.0555 1952.5833 119.9768 -205600.7050 17482.3355 0.0000 0.0000 34186.8845 -149003.2684 298.5626 -183190.1529 -148904.8825 299.1383 -150.9725 -116.5776 557489.0460 8.6755 8.9334 PRESSURE: 1013200 -42.0057 -126.297 56.0371 -126.296 -155.053 2.91078 56.0373 2.9104 -80.9519 GPRESSURE: 1013200 -48.6035 -36.3694 -10.7725 -164.023 -112.818 33.9531 69.1209 -71.506 -14.1309 PRESSAVG: 1013200 10.5194 -43.5633 -1.92454 -43.5632 19.7515 -33.9096 -1.92451 -33.9096 0.0300633 GPRESSAVG: 1013200 10.5307 -45.1142 -2.42039 -42.8283 19.194 -31.2366 -1.55927 -32.281 1.06822 TIMING: 1013200 CPU: 2942.44, 0.00288812/step Wall: 2942.44, 0.00288812/step, 3.19843 hours remaining, 203.308594 MB of memory in use. ENERGY: 1013200 760.9610 2072.8946 1962.8802 109.3954 -205928.2581 17632.8215 0.0000 0.0000 34382.0385 -149007.2669 300.2669 -183389.3055 -148911.0112 299.3575 -92.6700 -58.5173 557908.7439 10.1003 10.2643 PRESSURE: 1013400 -228.913 -79.7939 21.3446 -79.7943 -131.232 15.1834 21.3436 15.1838 -48.7544 GPRESSURE: 1013400 -187.802 -122.739 -2.84787 -3.21191 -101.352 16.6085 65.8755 -19.3719 -32.0091 PRESSAVG: 1013400 1.37406 -26.2892 -55.6124 -26.2892 10.246 49.1429 -55.6124 49.1429 -28.0486 GPRESSAVG: 1013400 0.519391 -27.5988 -55.6341 -26.3455 11.3489 45.9506 -55.0274 49.3442 -28.2432 TIMING: 1013400 CPU: 2943.02, 0.00289284/step Wall: 2943.02, 0.00289284/step, 3.2035 hours remaining, 203.308594 MB of memory in use. ENERGY: 1013400 750.3757 2118.2965 1938.3980 111.6990 -205791.6522 17641.2541 0.0000 0.0000 34350.2607 -148881.3683 299.9894 -183231.6290 -148776.3705 299.9277 -136.3000 -107.0543 558730.2317 -5.4762 -5.4583 PRESSURE: 1013600 222.885 -65.6827 126.819 -65.6833 155.646 -95.9989 126.819 -95.9999 64.7339 GPRESSURE: 1013600 261.628 -45.8014 126.774 -56.0565 172.201 -134.061 117.336 -31.9561 92.9839 PRESSAVG: 1013600 -80.0038 -34.0494 7.58298 -34.0495 40.0992 0.804985 7.583 0.805008 36.2994 GPRESSAVG: 1013600 -79.3022 -34.0891 7.91696 -34.8133 39.427 2.85498 7.61589 -0.247872 35.7692 TIMING: 1013600 CPU: 2943.59, 0.00287452/step Wall: 2943.59, 0.00287452/step, 3.18305 hours remaining, 203.308594 MB of memory in use. ENERGY: 1013600 717.8642 2163.8638 1943.2867 117.1852 -206019.4240 17821.5764 0.0000 0.0000 34241.6779 -149013.9697 299.0411 -183255.6476 -148923.8865 299.9559 147.7548 175.6045 556436.1181 -1.2017 -1.3687 PRESSURE: 1013800 50.862 -303.473 -98.8842 -303.472 390.328 -127.838 -98.885 -127.838 -172.248 GPRESSURE: 1013800 84.2964 -320.671 -60.7541 -326.261 400.697 -113.085 -82.6002 -161.823 -120.686 PRESSAVG: 1013800 -37.3542 -40.8925 9.10389 -40.8925 20.7882 -6.28923 9.1039 -6.2891 18.0446 GPRESSAVG: 1013800 -37.5959 -38.0766 10.571 -42.4752 22.2472 -5.27872 8.50088 -7.45039 17.0261 TIMING: 1013800 CPU: 2944.17, 0.00287114/step Wall: 2944.17, 0.00287114/step, 3.17915 hours remaining, 203.308594 MB of memory in use. ENERGY: 1013800 709.6904 2126.4575 1946.6871 118.3214 -206060.9225 17960.5716 0.0000 0.0000 34194.9713 -149004.2233 298.6332 -183199.1946 -148899.1916 299.8612 89.6473 121.4357 557152.6821 0.4929 0.5591 PRESSURE: 1014000 -55.291 105.75 51.4149 105.751 -295.972 104.527 51.4136 104.527 245.036 GPRESSURE: 1014000 -1.70336 89.6767 103.03 155.137 -320.101 56.618 53.6737 148.29 297.18 PRESSAVG: 1014000 17.0608 6.03127 -27.7622 6.03129 -33.2163 14.5501 -27.7622 14.5502 -15.8436 GPRESSAVG: 1014000 16.8247 5.08207 -28.8262 6.84243 -33.5987 13.4145 -27.9749 16.5379 -15.5446 TIMING: 1014000 CPU: 2944.74, 0.00288927/step Wall: 2944.74, 0.00288927/step, 3.19907 hours remaining, 203.308594 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: 1014000 784.5834 2131.4207 1941.7781 124.4263 -206026.0552 17771.7827 0.0000 0.0000 34161.3198 -149110.7441 298.3393 -183272.0639 -149006.0433 299.3926 -35.4091 -8.2082 557907.7708 -10.6664 -10.7729 PRESSURE: 1014200 -180.796 35.6034 -79.933 35.6051 -230.803 -88.1197 -79.932 -88.1192 -261.262 GPRESSURE: 1014200 -143.205 -35.5194 -97.8048 11.2447 -222.031 -150.353 -24.6004 -76.747 -199.13 PRESSAVG: 1014200 27.3652 27.3823 23.3379 27.3823 75.4612 -42.0921 23.338 -42.0922 -134.908 GPRESSAVG: 1014200 26.7404 28.9975 23.8614 27.0817 75.1333 -41.944 22.961 -42.7246 -133.729 TIMING: 1014200 CPU: 2945.32, 0.00287738/step Wall: 2945.32, 0.00287738/step, 3.18573 hours remaining, 203.308594 MB of memory in use. ENERGY: 1014200 749.5793 2114.5944 1938.4321 120.1203 -205844.6120 17423.3402 0.0000 0.0000 34215.8833 -149282.6623 298.8158 -183498.5456 -149186.1026 299.0683 -224.2867 -188.1219 557975.1726 -10.6939 -10.6184 PRESSURE: 1014400 30.4386 -79.2233 57.3797 -79.2229 14.7272 -156.907 57.3791 -156.905 -74.0861 GPRESSURE: 1014400 83.7184 -19.0312 3.70545 -111.153 35.9175 -179.036 118.165 -135.202 -52.9594 PRESSAVG: 1014400 -30.4128 -20.1469 6.84421 -20.1468 62.2034 -48.332 6.84412 -48.332 -8.00384 GPRESSAVG: 1014400 -28.8516 -19.6173 5.36249 -20.5766 61.7769 -46.7195 8.40185 -47.4585 -9.40579 TIMING: 1014400 CPU: 2945.9, 0.00289992/step Wall: 2945.9, 0.00289992/step, 3.21053 hours remaining, 203.308594 MB of memory in use. ENERGY: 1014400 763.3381 2120.2248 1966.2706 104.0349 -206264.3832 17861.2923 0.0000 0.0000 34297.0126 -149152.2099 299.5243 -183449.2225 -149060.9397 299.3703 -9.6401 22.2255 555198.5404 7.9289 7.8398 PRESSURE: 1014600 262.826 -144.856 -31.159 -144.856 443.762 22.202 -31.1587 22.2024 25.6556 GPRESSURE: 1014600 336.054 -66.5578 -196.32 -162.027 390.011 -29.7899 78.0048 37.3547 95.441 PRESSAVG: 1014600 7.77986 -93.9369 -0.969976 -93.9369 -37.4684 -39.7803 -0.969958 -39.7803 33.4888 GPRESSAVG: 1014600 7.35667 -95.589 -1.72838 -92.2077 -36.7193 -38.9201 -0.266109 -40.0317 33.357 TIMING: 1014600 CPU: 2946.48, 0.00289551/step Wall: 2946.48, 0.00289551/step, 3.20549 hours remaining, 203.308594 MB of memory in use. ENERGY: 1014600 717.3536 2100.1842 1932.5012 111.4624 -206429.7988 18102.0661 0.0000 0.0000 34240.8011 -149225.4301 299.0334 -183466.2312 -149123.6042 299.3516 244.0812 273.8352 556619.4064 1.2668 1.3315 PRESSURE: 1014800 -9.75548 -58.4013 -65.9075 -58.4018 -34.0077 9.81431 -65.9066 9.81382 -107.927 GPRESSURE: 1014800 13.9203 -98.0706 -71.9627 -151.465 -0.83613 -5.0218 4.91019 51.579 -83.9211 PRESSAVG: 1014800 11.0134 -0.557732 -12.3272 -0.557713 8.76732 60.0994 -12.3271 60.0994 15.0003 GPRESSAVG: 1014800 10.3017 1.32946 -8.87182 -2.1524 8.50081 60.4594 -15.651 58.2579 15.9495 TIMING: 1014800 CPU: 2947.06, 0.00289607/step Wall: 2947.06, 0.00289607/step, 3.20595 hours remaining, 203.308594 MB of memory in use. ENERGY: 1014800 772.6091 2095.5744 1937.9610 107.5773 -205973.6949 17685.4665 0.0000 0.0000 34286.0938 -149088.4129 299.4290 -183374.5067 -148990.6532 299.0387 -50.5633 -23.6123 556535.9118 11.5937 11.5840 PRESSURE: 1015000 -80.1654 137.468 79.0636 137.466 -161.694 -33.9472 79.0638 -33.9478 247.989 GPRESSURE: 1015000 -73.5839 83.3944 -27.7007 153.827 -86.2875 5.40613 102.817 -1.17937 252.09 PRESSAVG: 1015000 -48.8184 0.190482 10.4199 0.190466 -46.4086 -11.7473 10.42 -11.7473 65.9298 GPRESSAVG: 1015000 -48.0355 -1.4049 8.57702 2.13686 -46.5024 -13.0852 12.6299 -12.5414 65.1302 TIMING: 1015000 CPU: 2947.64, 0.00291266/step Wall: 2947.64, 0.00291266/step, 3.22415 hours remaining, 203.308594 MB of memory in use. ENERGY: 1015000 735.0540 2078.4406 1954.2138 111.4005 -206301.6199 17821.8364 0.0000 0.0000 34375.5379 -149225.1368 300.2101 -183600.6747 -149132.5856 299.8003 2.0430 30.7395 557888.8028 -9.7657 -9.8026 PRESSURE: 1015200 -181.178 -71.1413 -47.3275 -71.1419 -70.3083 69.5105 -47.3275 69.5087 268.329 GPRESSURE: 1015200 -129.146 -120.711 -64.154 -15.9433 -18.8275 106.882 -34.3073 129.235 262.34 PRESSAVG: 1015200 -16.7016 30.3898 11.0722 30.3898 8.62019 69.9315 11.0724 69.9313 49.8916 GPRESSAVG: 1015200 -17.5333 30.9029 12.9844 29.4982 8.41754 69.0037 10.8006 72.1568 50.4269 TIMING: 1015200 CPU: 2948.22, 0.00291674/step Wall: 2948.22, 0.00291674/step, 3.22851 hours remaining, 203.367188 MB of memory in use. ENERGY: 1015200 699.6959 2126.0417 1981.6103 106.8931 -205824.1538 17662.4554 0.0000 0.0000 33962.9513 -149284.5062 296.6069 -183247.4575 -149190.1834 298.8060 5.6142 38.1221 557632.4227 13.9367 13.7704 PRESSURE: 1015400 -6.87506 25.3471 20.7124 25.3478 -34.2693 -85.4317 20.7124 -85.4334 -225.967 GPRESSURE: 1015400 94.2988 -35.4037 6.43918 19.1608 -5.55707 -125.232 -45.9429 -17.9519 -251.982 PRESSAVG: 1015400 24.8868 -11.1182 -15.0959 -11.1183 0.0594083 40.6331 -15.0959 40.6332 -17.1567 GPRESSAVG: 1015400 24.4981 -13.3584 -15.904 -8.29292 -0.27309 41.4873 -13.4524 38.4306 -15.674 TIMING: 1015400 CPU: 2948.8, 0.00290302/step Wall: 2948.8, 0.00290302/step, 3.21316 hours remaining, 203.367188 MB of memory in use. ENERGY: 1015400 753.9219 2096.3510 1967.3939 101.6026 -206528.7587 17887.3465 0.0000 0.0000 34471.1929 -149250.9499 301.0455 -183722.1428 -149151.5046 298.7613 -89.0372 -54.4133 558374.2192 2.5965 2.8503 PRESSURE: 1015600 -90.7964 109.605 81.3876 109.604 -137.731 30.3953 81.3877 30.3963 139.103 GPRESSURE: 1015600 -67.1284 132.794 170.136 133.733 -121.18 -16.9403 101.291 35.9083 195.41 PRESSAVG: 1015600 15.2109 36.3709 -24.1012 36.3709 -38.1538 9.55173 -24.1012 9.55173 42.0119 GPRESSAVG: 1015600 15.3003 38.5979 -24.8725 33.3819 -37.5263 8.1325 -28.749 12.4701 40.6752 TIMING: 1015600 CPU: 2949.38, 0.00288867/step Wall: 2949.38, 0.00288867/step, 3.19711 hours remaining, 203.367188 MB of memory in use. ENERGY: 1015600 719.0571 2059.9378 1956.0535 110.9602 -206482.2505 17920.0931 0.0000 0.0000 34418.3628 -149297.7861 300.5841 -183716.1489 -149200.6852 298.9572 -29.8080 2.3671 557856.7038 6.3563 6.1497 PRESSURE: 1015800 -173.047 -0.799067 -204.333 -0.800434 -77.5406 -155.012 -204.335 -155.012 -39.675 GPRESSURE: 1015800 -112.892 43.4759 -217.801 -38.9062 -39.5121 -191.848 -242.309 -69.3896 -28.7787 PRESSAVG: 1015800 -40.9107 32.4631 -31.2637 32.4631 -15.2596 29.8333 -31.2638 29.8334 19.6284 GPRESSAVG: 1015800 -38.5608 30.4729 -29.0074 33.3618 -15.1027 28.6061 -28.0677 30.7528 18.0024 TIMING: 1015800 CPU: 2949.96, 0.00289009/step Wall: 2949.96, 0.00289009/step, 3.19853 hours remaining, 203.367188 MB of memory in use. ENERGY: 1015800 771.2141 2123.1188 1965.8126 127.1103 -206279.8012 17768.4132 0.0000 0.0000 34138.9320 -149385.2002 298.1438 -183524.1322 -149289.6156 298.0288 -96.7541 -60.3942 558023.1250 -12.1806 -11.8870 PRESSURE: 1016000 149.936 -8.53397 -42.5616 -8.53402 266.2 -160.237 -42.561 -160.238 73.088 GPRESSURE: 1016000 158.029 77.6054 -34.9769 19.4137 308.711 -131.968 -79.4162 -141.491 125.349 PRESSAVG: 1016000 0.265191 -10.8254 7.17164 -10.8253 -3.49348 -27.9701 7.17159 -27.9701 44.8036 GPRESSAVG: 1016000 -0.527712 -7.87582 4.52827 -11.2484 -3.74265 -25.2771 5.29919 -29.4317 45.7655 TIMING: 1016000 CPU: 2950.54, 0.00288882/step Wall: 2950.54, 0.00288882/step, 3.19697 hours remaining, 203.367188 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: 1016000 729.4100 2122.0460 1964.0245 105.3882 -206650.1153 18104.3960 0.0000 0.0000 34080.7313 -149544.1194 297.6355 -183624.8507 -149450.5098 298.4778 163.0747 197.3630 556029.5847 13.8584 13.8317 PRESSURE: 1016200 157.682 5.88735 -16.6683 5.88572 184.47 -58.5585 -16.6683 -58.5593 56.869 GPRESSURE: 1016200 185.177 -21.4056 -4.28159 20.8058 220.09 -48.4956 -22.5503 -100.974 85.6959 PRESSAVG: 1016200 -3.6784 41.3409 14.8708 41.3409 -5.14015 -27.9043 14.8709 -27.9043 7.55666 GPRESSAVG: 1016200 -5.31792 39.1157 16.9505 41.4298 -3.78822 -28.2177 16.9871 -29.5975 7.43836 TIMING: 1016200 CPU: 2951.11, 0.00288039/step Wall: 2951.11, 0.00288039/step, 3.18747 hours remaining, 203.367188 MB of memory in use. ENERGY: 1016200 706.1149 2095.5133 1980.8541 96.5702 -206614.4440 18007.3032 0.0000 0.0000 34197.6138 -149530.4745 298.6563 -183728.0883 -149442.9219 299.0536 133.0068 163.6541 555651.3568 -0.4206 -0.5559 LDB: ============= START OF LOAD BALANCING ============== 2954.58 LDB: ============== END OF LOAD BALANCING =============== 2954.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2954.58 LDB: ============= START OF LOAD BALANCING ============== 2954.87 LDB: Largest compute 4820 load 0.028368 is 24.1% of average load 0.117677 LDB: Average compute 0.001735 is 1.5% of average load 0.117677 LDB: TIME 2954.88 LOAD: AVG 0.117677 MAX 0.179258 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 2954.88 LOAD: AVG 0.117677 MAX 0.179258 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: TIME 2954.88 LOAD: AVG 0.117677 MAX 0.179258 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2954.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2954.88 PRESSURE: 1016400 -79.2218 -203.759 -89.7017 -203.761 -294.019 -57.8337 -89.7004 -57.8325 -142.503 GPRESSURE: 1016400 -56.7681 -164.019 -15.345 -189.79 -257.457 -39.2727 -111.347 -9.39708 -103.591 PRESSAVG: 1016400 -21.4905 -26.0732 -29.2001 -26.0732 20.369 -91.4241 -29.2001 -91.4241 10.893 GPRESSAVG: 1016400 -20.225 -27.646 -30.5842 -26.4536 18.9716 -91.6178 -29.3261 -88.6281 11.3735 TIMING: 1016400 CPU: 2951.71, 0.00296885/step Wall: 2951.71, 0.00296885/step, 3.2852 hours remaining, 203.679688 MB of memory in use. ENERGY: 1016400 771.4858 2121.7503 1951.0938 107.2039 -206185.8445 17708.3367 0.0000 0.0000 34060.9483 -149465.0257 297.4627 -183525.9739 -149372.7418 298.3439 -171.9146 -139.2723 558304.2898 3.2572 3.3733 PRESSURE: 1016600 71.6723 40.4499 -124.978 40.4501 -88.7394 -38.0566 -124.978 -38.0577 -77.0924 GPRESSURE: 1016600 122.253 -13.9028 -158.817 95.3489 -7.54792 1.51041 -68.7016 -90.9734 -118.021 PRESSAVG: 1016600 -22.4493 -39.1957 -28.8548 -39.1957 -20.6564 -22.2832 -28.8548 -22.2834 53.5314 GPRESSAVG: 1016600 -22.7216 -37.2864 -27.6493 -38.5921 -20.4794 -22.9758 -28.1404 -22.7223 53.9564 TIMING: 1016600 CPU: 2952.29, 0.0028983/step Wall: 2952.29, 0.0028983/step, 3.20697 hours remaining, 203.679688 MB of memory in use. ENERGY: 1016600 726.0614 2096.6270 1961.2061 109.4889 -206781.2215 17967.3239 0.0000 0.0000 34374.0145 -149546.4997 300.1968 -183920.5141 -149449.2619 298.5108 -31.3865 -1.1053 557252.9481 3.4752 3.5851 PRESSURE: 1016800 149.316 53.1602 -263.089 53.1595 -213.363 -120.305 -263.089 -120.304 -243.359 GPRESSURE: 1016800 145.977 106.133 -355.549 31.2199 -149.036 -53.3917 -182.91 -223.31 -211.003 PRESSAVG: 1016800 3.07345 4.54204 -31.1163 4.542 -61.6413 -79.5396 -31.1162 -79.5396 37.1861 GPRESSAVG: 1016800 3.87544 4.57837 -32.5787 3.23638 -61.8226 -78.017 -32.1185 -81.9284 36.5195 TIMING: 1016800 CPU: 2952.87, 0.00288563/step Wall: 2952.87, 0.00288563/step, 3.19279 hours remaining, 203.679688 MB of memory in use. ENERGY: 1016800 760.5392 2066.2507 1937.6433 123.8119 -206588.9454 17923.4904 0.0000 0.0000 34138.4150 -149638.7950 298.1393 -183777.2100 -149541.9642 298.0309 -102.4688 -71.3540 557982.3548 -7.1273 -7.1426 PRESSURE: 1017000 -124.209 -160.066 98.933 -160.066 9.21777 -273.768 98.9338 -273.768 -243.235 GPRESSURE: 1017000 -75.8363 -103.461 131.207 -179.917 -32.1931 -345.571 54.6607 -300.487 -159.993 PRESSAVG: 1017000 24.6416 -8.15518 -31.313 -8.15518 -10.4857 2.13973 -31.313 2.13992 -21.2203 GPRESSAVG: 1017000 24.7766 -9.11381 -32.0709 -6.03113 -11.2267 1.88356 -30.4487 3.82151 -20.6414 TIMING: 1017000 CPU: 2953.44, 0.00286859/step Wall: 2953.44, 0.00286859/step, 3.17378 hours remaining, 203.738281 MB of memory in use. ENERGY: 1017000 758.6791 2092.8495 1958.1637 107.1710 -206455.1590 17904.3677 0.0000 0.0000 34071.5437 -149562.3843 297.5553 -183633.9280 -149467.7866 298.6276 -119.4086 -89.3407 558148.9579 -2.3548 -2.3638 PRESSURE: 1017200 -33.9056 162.774 11.4664 162.774 234.914 85.5339 11.4656 85.533 153.028 GPRESSURE: 1017200 19.2266 129.908 89.9716 48.6216 239.336 20.6717 -42.1325 79.8069 189.971 PRESSAVG: 1017200 20.9251 6.15225 18.1048 6.15229 45.8949 -16.1972 18.1049 -16.1973 -76.1141 GPRESSAVG: 1017200 21.1202 5.59664 19.9247 5.40016 46.5223 -15.9002 16.7117 -15.4981 -77.1908 TIMING: 1017200 CPU: 2954.02, 0.00288776/step Wall: 2954.02, 0.00288776/step, 3.19482 hours remaining, 203.804688 MB of memory in use. ENERGY: 1017200 751.0158 2103.4215 1970.3647 114.2322 -206815.6324 18031.9234 0.0000 0.0000 34305.8449 -149538.8300 299.6015 -183844.6748 -149439.1703 298.8946 118.0119 149.5111 556881.8500 -3.0980 -3.1828 PRESSURE: 1017400 99.1524 74.7256 -54.9405 74.7271 -101.873 -1.87117 -54.9411 -1.87169 61.3622 GPRESSURE: 1017400 142.115 -2.71556 -55.7564 103.033 -104.341 -47.8433 -106.597 -44.813 111.043 PRESSAVG: 1017400 -3.83711 -25.8811 5.74361 -25.8811 45.9545 7.79118 5.74357 7.79122 -17.2923 GPRESSAVG: 1017400 -4.13215 -24.6105 5.97441 -26.5376 45.9473 6.90869 6.66048 8.83237 -17.2401 TIMING: 1017400 CPU: 2954.6, 0.00290289/step Wall: 2954.6, 0.00290289/step, 3.2114 hours remaining, 203.804688 MB of memory in use. ENERGY: 1017400 721.4848 2146.7648 1989.8133 96.7402 -206210.6563 17825.7969 0.0000 0.0000 34093.8695 -149336.1868 297.7502 -183430.0562 -149244.0508 298.3932 19.5471 49.6061 557609.6627 8.2750 8.1917 PRESSURE: 1017600 -55.7291 88.9773 -74.0606 88.9789 -176.004 12.2789 -74.0586 12.28 112.794 GPRESSURE: 1017600 40.8183 36.8579 32.9416 127.03 -140.239 -2.46597 -172.05 31.3804 80.2957 PRESSAVG: 1017600 61.9047 -9.51416 14.3815 -9.51425 -51.5453 -12.9321 14.3815 -12.9322 -32.7722 GPRESSAVG: 1017600 60.9265 -10.2124 15.6643 -8.49384 -50.8716 -11.1973 13.5881 -13.9822 -33.324 TIMING: 1017600 CPU: 2955.18, 0.00289647/step Wall: 2955.18, 0.00289647/step, 3.20414 hours remaining, 203.804688 MB of memory in use. ENERGY: 1017600 760.2010 2067.8943 1998.0913 118.9252 -206227.2938 17715.4363 0.0000 0.0000 34313.7280 -149253.0179 299.6703 -183566.7458 -149149.2556 299.4051 -39.6465 -6.3749 556936.0700 -7.4709 -7.7563 PRESSURE: 1017800 -87.7663 -169.239 9.07917 -169.239 -24.4217 112.376 9.07881 112.375 143.146 GPRESSURE: 1017800 1.76592 -153.262 -17.2176 -201.969 -31.8944 138.431 -5.9707 66.6464 174.863 PRESSAVG: 1017800 -37.186 -45.4276 -18.417 -45.4277 71.3923 -0.33396 -18.4171 -0.333884 -29.3384 GPRESSAVG: 1017800 -37.2147 -43.761 -22.5344 -46.4151 71.8244 -1.56115 -17.3073 -0.213063 -29.7989 TIMING: 1017800 CPU: 2955.76, 0.00292167/step Wall: 2955.76, 0.00292167/step, 3.23186 hours remaining, 203.804688 MB of memory in use. ENERGY: 1017800 735.3386 2157.5186 1978.9071 117.8027 -206541.7818 17919.1198 0.0000 0.0000 34256.2319 -149376.8632 299.1682 -183633.0950 -149284.2166 299.2784 10.3195 48.2447 556157.1570 1.6226 1.6036 PRESSURE: 1018000 25.9452 85.24 -29.4036 85.2404 275.723 146.365 -29.4041 146.362 250.586 GPRESSURE: 1018000 41.108 -34.579 38.7631 117.35 313.657 108.797 -73.083 117.826 288.35 PRESSAVG: 1018000 -57.4431 12.3798 -21.6038 12.3797 47.5329 23.0719 -21.6038 23.0719 7.41976 GPRESSAVG: 1018000 -56.203 9.55376 -19.3507 14.8234 46.4835 24.2992 -23.3105 21.9092 7.37379 TIMING: 1018000 CPU: 2956.34, 0.00289112/step Wall: 2956.34, 0.00289112/step, 3.1979 hours remaining, 203.804688 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: 1018000 740.4054 2118.9575 1985.2255 130.4666 -206598.2706 18095.5439 0.0000 0.0000 34178.1499 -149349.5218 298.4863 -183527.6717 -149254.2500 298.8314 184.0846 214.3716 556612.8450 -0.8302 -0.7819 PRESSURE: 1018200 -265.388 33.1446 133.163 33.1442 -30.9414 31.751 133.162 31.7509 -161.039 GPRESSURE: 1018200 -209.671 -53.4017 119.368 42.3899 -25.638 112.085 66.0055 -2.44754 -120.504 PRESSAVG: 1018200 -16.0259 0.771695 -62.4688 0.771751 39.0236 0.568405 -62.4688 0.568324 -6.89126 GPRESSAVG: 1018200 -16.6342 1.52178 -62.8431 -1.65424 40.0686 -0.145355 -61.5695 1.42776 -7.99021 TIMING: 1018200 CPU: 2956.92, 0.00288981/step Wall: 2956.92, 0.00288982/step, 3.1963 hours remaining, 203.804688 MB of memory in use. ENERGY: 1018200 760.3806 2110.8068 1996.8615 122.6035 -206139.9276 17501.1252 0.0000 0.0000 34253.5468 -149394.6031 299.1447 -183648.1499 -149296.8423 298.6659 -152.4562 -118.6043 556919.5297 5.3688 5.1481 PRESSURE: 1018400 142.287 -119.085 -122.283 -119.085 298.329 173.038 -122.282 173.036 -119.2 GPRESSURE: 1018400 190.37 -230.218 -168.44 -46.6084 300.9 278.641 -113.167 64.0876 -81.5923 PRESSAVG: 1018400 23.3214 5.2858 -21.8815 5.28587 -33.257 43.5297 -21.8816 43.5298 -4.40059 GPRESSAVG: 1018400 23.7709 5.35545 -20.68 8.13394 -33.9361 44.1465 -21.3349 44.768 -4.18322 TIMING: 1018400 CPU: 2957.5, 0.00289445/step Wall: 2957.5, 0.00289445/step, 3.20127 hours remaining, 203.804688 MB of memory in use. ENERGY: 1018400 714.0752 2042.9661 1981.0857 114.7005 -206223.6625 17894.8025 0.0000 0.0000 34241.7366 -149234.2959 299.0416 -183476.0325 -149138.4858 298.7376 107.1389 136.5590 556769.2281 -4.7787 -4.7828 PRESSURE: 1018600 -81.7567 -1.58076 -5.93533 -1.5826 117.454 -55.6727 -5.93497 -55.6723 129.691 GPRESSURE: 1018600 -13.8988 -48.357 -111.659 0.0941157 143.189 -78.2107 29.1017 -49.4072 141.031 PRESSAVG: 1018600 -20.077 17.7335 23.9699 17.7335 22.5779 36.8015 23.9698 36.8015 32.3465 GPRESSAVG: 1018600 -20.3571 16.9078 22.9207 17.6792 23.1266 37.2868 25.8988 36.6226 32.6028 TIMING: 1018600 CPU: 2958.08, 0.00290588/step Wall: 2958.08, 0.00290588/step, 3.21374 hours remaining, 203.804688 MB of memory in use. ENERGY: 1018600 755.4643 2090.8451 1982.4601 111.4803 -206391.3696 17981.3478 0.0000 0.0000 34164.7128 -149305.0592 298.3689 -183469.7720 -149208.4111 299.1571 55.1294 90.1070 555820.2677 11.6158 11.7908 PRESSURE: 1018800 4.64582 -132.028 118.297 -132.027 -26.3414 -85.9694 118.297 -85.9688 -279.975 GPRESSURE: 1018800 24.7991 -187.744 69.2591 -126.517 5.06114 -119.802 168.002 -156.688 -226.97 PRESSAVG: 1018800 17.0009 -0.673526 -7.2196 -0.67353 37.908 -26.8651 -7.21971 -26.8651 -67.5083 GPRESSAVG: 1018800 16.5966 -0.861778 -8.15115 0.170304 37.5395 -27.844 -8.84863 -28.872 -66.2107 TIMING: 1018800 CPU: 2958.66, 0.00291012/step Wall: 2958.66, 0.00291012/step, 3.21827 hours remaining, 203.804688 MB of memory in use. ENERGY: 1018800 757.3661 2092.1343 1975.0649 115.7573 -206159.5700 17650.1782 0.0000 0.0000 34163.9364 -149405.1328 298.3622 -183569.0692 -149309.3827 298.8651 -100.5570 -65.7033 556468.8555 -4.1998 -4.0249 PRESSURE: 1019000 -58.7106 15.645 -22.251 15.6452 -327.27 -10.967 -22.2515 -10.9678 -11.9387 GPRESSURE: 1019000 -38.1585 59.6315 33.0676 30.358 -301.636 -27.0527 -61.854 10.1442 46.7697 PRESSAVG: 1019000 36.669 -1.87719 -28.3926 -1.8772 33.5451 -50.9032 -28.3925 -50.9032 -44.9792 GPRESSAVG: 1019000 37.3754 1.72099 -28.5002 -6.02687 33.7595 -49.7603 -27.8663 -47.648 -45.4169 TIMING: 1019000 CPU: 2959.24, 0.00291238/step Wall: 2959.24, 0.00291238/step, 3.22061 hours remaining, 203.804688 MB of memory in use. ENERGY: 1019000 753.2952 2069.5765 1991.0178 109.8947 -206242.1944 17712.3251 0.0000 0.0000 34164.3173 -149441.7679 298.3655 -183606.0852 -149346.7509 298.9579 -132.6398 -97.6751 557372.2204 8.4116 8.5727 PRESSURE: 1019200 -52.6127 156.849 54.1036 156.848 -54.9509 42.3662 54.1035 42.3666 80.5696 GPRESSURE: 1019200 25.7109 162.43 89.1355 129.596 -11.6298 -67.7025 -20.4528 77.6132 62.8948 PRESSAVG: 1019200 -1.60797 43.697 6.84714 43.6969 -19.3477 20.6621 6.84715 20.6622 -28.8176 GPRESSAVG: 1019200 -1.24027 40.4507 9.48211 46.4207 -20.435 18.3699 4.61303 18.8929 -28.3848 TIMING: 1019200 CPU: 2959.82, 0.0029113/step Wall: 2959.82, 0.0029113/step, 3.21925 hours remaining, 203.804688 MB of memory in use. ENERGY: 1019200 740.6632 2043.6665 1982.2829 129.1024 -206385.7217 17652.8107 0.0000 0.0000 34401.5321 -149435.6639 300.4371 -183837.1960 -149338.7379 298.2200 -8.9980 25.6586 555905.0526 -16.5911 -16.6867 PRESSURE: 1019400 -205.656 -169.937 129.25 -169.938 2.52941 -81.4225 129.252 -81.4221 -255.779 GPRESSURE: 1019400 -157.742 -191.247 83.9458 -106.643 6.65022 -63.0447 125.742 -79.6643 -212.015 PRESSAVG: 1019400 72.809 -22.8209 27.4669 -22.8209 2.39565 15.4992 27.467 15.4992 -58.1865 GPRESSAVG: 1019400 72.1934 -21.9768 24.7229 -24.4325 2.40094 15.8877 29.3333 17.1705 -58.1477 TIMING: 1019400 CPU: 2960.41, 0.00292063/step Wall: 2960.41, 0.00292063/step, 3.22941 hours remaining, 203.804688 MB of memory in use. ENERGY: 1019400 716.0372 2091.2093 1966.8941 134.6687 -206120.7874 17575.6513 0.0000 0.0000 34421.7414 -149214.5854 300.6136 -183636.3268 -149114.2192 299.4579 -152.9684 -121.0357 557087.3134 5.6727 5.4822 PRESSURE: 1019600 -210.793 8.106 -64.0118 8.10699 -53.2265 34.2957 -64.0116 34.2953 -662.161 GPRESSURE: 1019600 -176.724 -71.667 -83.6161 44.6802 -57.4332 16.5311 -63.6859 107.207 -595.531 PRESSAVG: 1019600 97.3336 -8.49606 31.8279 -8.496 -5.00552 -28.3402 31.8279 -28.3401 -89.3221 GPRESSAVG: 1019600 97.4344 -6.74316 32.4294 -8.19945 -4.62535 -28.3186 31.0837 -28.0488 -89.5919 TIMING: 1019600 CPU: 2960.99, 0.00291958/step Wall: 2960.99, 0.00291958/step, 3.22808 hours remaining, 203.804688 MB of memory in use. ENERGY: 1019600 757.5091 2025.7215 1988.2194 112.0953 -205651.3624 17450.6404 0.0000 0.0000 34260.5727 -149056.6040 299.2061 -183317.1767 -148967.2705 299.9947 -308.7268 -276.5625 557863.6045 1.0020 1.0724 PRESSURE: 1019800 -190.664 132.54 100.262 132.54 228.073 -92.0131 100.263 -92.0142 -18.8687 GPRESSURE: 1019800 -105.767 168.522 75.6512 120.583 227.09 -126.767 59.7952 -153.607 -19.5112 PRESSAVG: 1019800 38.513 5.86776 -21.4816 5.86776 1.0546 34.2357 -21.4817 34.2357 -34.4579 GPRESSAVG: 1019800 37.8872 3.34895 -21.6681 7.60266 0.906426 36.5686 -19.285 32.8102 -33.1128 TIMING: 1019800 CPU: 2961.57, 0.00290756/step Wall: 2961.57, 0.00290756/step, 3.21464 hours remaining, 203.804688 MB of memory in use. ENERGY: 1019800 731.9322 2097.3733 1995.8698 124.3414 -205944.8907 17751.3484 0.0000 0.0000 34204.8538 -149039.1719 298.7195 -183244.0257 -148936.1246 300.0315 6.1800 33.9372 557571.6648 1.7032 1.8936 PRESSURE: 1020000 72.6993 44.7283 -18.3975 44.7284 144.301 -71.2845 -18.3963 -71.2829 109.078 GPRESSURE: 1020000 98.4009 64.7012 29.7297 -78.9391 155.735 -73.5103 -24.8011 -137.116 154.959 PRESSAVG: 1020000 28.1219 -7.52405 -46.6513 -7.52414 -57.6282 -16.6469 -46.6513 -16.6469 -1.76889 GPRESSAVG: 1020000 28.1619 -7.62534 -47.5322 -7.38433 -57.5303 -19.485 -46.2786 -15.8683 -1.78403 TIMING: 1020000 CPU: 2962.16, 0.00292229/step Wall: 2962.16, 0.00292229/step, 3.23076 hours remaining, 203.804688 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: 1020000 733.4037 2079.8915 1964.1655 102.5050 -206191.7866 17860.3841 0.0000 0.0000 34222.5172 -149228.9197 298.8738 -183451.4369 -149137.0739 299.3009 108.6927 136.3651 556031.6341 -10.4251 -10.3841 PRESSURE: 1020200 44.9899 -45.0034 -17.7854 -45.0039 192.37 -118.823 -17.7862 -118.824 -85.1448 GPRESSURE: 1020200 56.2925 9.2761 71.8919 -69.3681 262.967 -65.7565 22.1509 -112.928 -64.7739 PRESSAVG: 1020200 -4.9426 -50.8136 17.6152 -50.8137 -20.2239 -35.3393 17.6151 -35.3392 4.71824 GPRESSAVG: 1020200 -5.48668 -49.8963 20.6177 -51.6228 -20.7541 -35.6031 14.4756 -35.0169 5.92423 TIMING: 1020200 CPU: 2962.75, 0.0029409/step Wall: 2962.75, 0.0029409/step, 3.25117 hours remaining, 203.804688 MB of memory in use. ENERGY: 1020200 741.9663 2104.1963 1995.3592 125.4895 -206469.0495 17927.8909 0.0000 0.0000 34268.4840 -149305.6633 299.2752 -183574.1473 -149217.7429 299.4357 50.7384 84.8286 555046.8209 -6.8161 -6.7722 LDB: ============= START OF LOAD BALANCING ============== 2966.21 LDB: ============== END OF LOAD BALANCING =============== 2966.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2966.22 LDB: ============= START OF LOAD BALANCING ============== 2966.51 LDB: Largest compute 4820 load 0.029851 is 25.4% of average load 0.117600 LDB: Average compute 0.001739 is 1.5% of average load 0.117600 LDB: TIME 2966.51 LOAD: AVG 0.1176 MAX 0.176511 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 2966.51 LOAD: AVG 0.1176 MAX 0.176511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.293 MB LDB: TIME 2966.51 LOAD: AVG 0.1176 MAX 0.176511 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.293 MB LDB: ============== END OF LOAD BALANCING =============== 2966.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2966.52 PRESSURE: 1020400 273.001 62.6388 89.1233 62.6389 34.1706 47.7501 89.1221 47.7493 -13.1278 GPRESSURE: 1020400 349.254 -1.341 23.512 90.5833 -2.37497 -29.9753 109.436 105.696 30.5148 PRESSAVG: 1020400 68.6284 0.509563 -16.6833 0.509566 10.7156 44.0651 -16.6834 44.065 -64.2755 GPRESSAVG: 1020400 69.3183 -0.716702 -18.9407 1.77563 11.2391 45.1094 -15.5284 42.5628 -65.3509 TIMING: 1020400 CPU: 2963.34, 0.00298434/step Wall: 2963.34, 0.00298434/step, 3.29902 hours remaining, 206.300781 MB of memory in use. ENERGY: 1020400 688.3755 2118.0501 1981.0601 105.8538 -206329.6542 17930.8733 0.0000 0.0000 34133.5080 -149371.9334 298.0964 -183505.4414 -149284.2428 298.5303 98.0146 125.7979 557108.1003 5.0228 5.0688 PRESSURE: 1020600 65.8612 171.903 -54.7988 171.902 63.6149 164.652 -54.7989 164.651 191.01 GPRESSURE: 1020600 90.2903 118.25 -5.81112 98.7015 96.4814 153.357 -93.7899 147.413 226.654 PRESSAVG: 1020600 -41.233 19.2354 -32.7603 19.2353 15.121 -11.1451 -32.7602 -11.145 57.0156 GPRESSAVG: 1020600 -41.0643 20.0761 -32.872 16.7059 14.2034 -11.6232 -31.2312 -8.55927 57.1375 TIMING: 1020600 CPU: 2963.93, 0.00293823/step Wall: 2963.93, 0.00293823/step, 3.24789 hours remaining, 206.382812 MB of memory in use. ENERGY: 1020600 732.6471 2080.7987 2005.0515 121.8006 -206522.8064 17980.0567 0.0000 0.0000 34075.4234 -149527.0284 297.5891 -183602.4518 -149443.0506 297.9256 106.8287 137.8086 555827.9148 10.3012 10.0922 PRESSURE: 1020800 -73.0946 -67.213 -67.9817 -67.211 -90.3409 26.9772 -67.9809 26.9775 10.8194 GPRESSURE: 1020800 -48.641 7.41969 -143.521 -133.618 -35.5239 -67.6163 -33.1209 72.0857 43.0361 PRESSAVG: 1020800 -3.16723 -56.4134 -42.0406 -56.4135 39.4319 7.84474 -42.0406 7.84471 -5.10762 GPRESSAVG: 1020800 -4.63214 -57.957 -42.0793 -55.2084 40.4923 9.07653 -44.3484 7.09682 -4.57992 TIMING: 1020800 CPU: 2964.51, 0.0029082/step Wall: 2964.51, 0.0029082/step, 3.21453 hours remaining, 206.382812 MB of memory in use. ENERGY: 1020800 749.5830 2078.0335 1988.2272 123.1542 -206711.9695 17995.1344 0.0000 0.0000 34034.4161 -149743.4211 297.2310 -183777.8371 -149643.0459 298.5712 -50.8720 -13.7096 557032.1390 10.3857 10.4267 PRESSURE: 1021000 -23.6098 -17.4301 72.0169 -17.4316 124.987 -144.463 72.0172 -144.463 -118.598 GPRESSURE: 1021000 -25.0072 37.3341 62.2499 -24.651 154.376 -98.0354 78.7924 -176.759 -70.698 PRESSAVG: 1021000 35.4799 -29.8701 -68.8063 -29.8701 -8.6241 -10.9021 -68.8063 -10.9021 -23.0511 GPRESSAVG: 1021000 36.4718 -29.1624 -67.6401 -30.3277 -9.33813 -10.5532 -68.4793 -12.6746 -23.9267 TIMING: 1021000 CPU: 2965.09, 0.00291085/step Wall: 2965.09, 0.00291085/step, 3.2173 hours remaining, 206.382812 MB of memory in use. ENERGY: 1021000 750.0398 2052.2076 1948.7530 120.2555 -206387.8890 17802.4918 0.0000 0.0000 34007.0365 -149707.1048 296.9919 -183714.1413 -149609.0163 297.4419 -5.7402 19.5568 557678.8644 1.2682 1.0690 PRESSURE: 1021200 205.919 -100.789 -154.014 -100.789 150.649 61.7882 -154.014 61.7882 -64.8907 GPRESSURE: 1021200 273.484 -60.3443 -158.068 -162.392 130.263 122.798 -110.158 69.5932 -9.45853 PRESSAVG: 1021200 -8.70991 -54.0152 -25.3345 -54.0154 -10.2874 -12.6582 -25.3344 -12.6582 2.07106 GPRESSAVG: 1021200 -8.55742 -54.4336 -27.0307 -53.1401 -9.56334 -12.4492 -25.0435 -12.4433 0.956573 TIMING: 1021200 CPU: 2965.67, 0.00288325/step Wall: 2965.67, 0.00288325/step, 3.18663 hours remaining, 206.382812 MB of memory in use. ENERGY: 1021200 717.4115 2113.3133 2000.6902 118.0652 -206545.3168 17870.2997 0.0000 0.0000 34186.3867 -149539.1502 298.5582 -183725.5369 -149438.4545 298.0322 97.2256 131.4295 557353.9386 -5.6421 -5.7214 PRESSURE: 1021400 -298.363 -154.745 -45.1761 -154.745 -2.65828 -3.58244 -45.1768 -3.58353 -164.916 GPRESSURE: 1021400 -205.349 -151.067 -76.013 -131.647 -17.2181 -44.5074 -15.394 52.3187 -146.763 PRESSAVG: 1021400 -6.09594 -68.0151 -95.1186 -68.0152 11.6131 38.5614 -95.1186 38.5613 32.4218 GPRESSAVG: 1021400 -4.76333 -68.5337 -94.8773 -67.6697 10.4701 36.369 -95.9261 39.297 31.6794 TIMING: 1021400 CPU: 2966.25, 0.0028918/step Wall: 2966.25, 0.0028918/step, 3.19592 hours remaining, 206.382812 MB of memory in use. ENERGY: 1021400 758.3907 2087.9337 1995.5257 116.1996 -206271.0979 17710.6475 0.0000 0.0000 33930.8978 -149671.5029 296.3270 -183602.4007 -149578.9686 298.3377 -155.3124 -123.1101 557991.3572 12.6463 12.4621 PRESSURE: 1021600 -59.0469 10.8001 -18.3553 10.8008 -3.77647 -127.123 -18.3546 -127.122 36.3469 GPRESSURE: 1021600 -2.75173 57.2506 -55.3466 77.0835 42.929 -158.458 70.6231 -84.99 27.3123 PRESSAVG: 1021600 -54.5421 4.76201 20.1251 4.76205 -53.455 -14.3033 20.1251 -14.3032 46.2186 GPRESSAVG: 1021600 -55.2104 4.59684 21.9526 5.11582 -52.1824 -13.6822 22.1892 -14.1345 46.0486 TIMING: 1021600 CPU: 2966.83, 0.00288688/step Wall: 2966.83, 0.00288688/step, 3.19032 hours remaining, 206.382812 MB of memory in use. ENERGY: 1021600 721.6775 2082.2059 1997.2737 117.2127 -206858.4885 18004.2468 0.0000 0.0000 34274.8643 -149661.0076 299.3309 -183935.8719 -149562.9614 297.8492 -8.8255 22.4965 558077.5484 -20.5928 -20.4481 PRESSURE: 1021800 -42.9562 -249.625 -18.0156 -249.624 -190.522 -1.28768 -18.0155 -1.28753 -140.285 GPRESSURE: 1021800 -41.0771 -219.775 -1.73798 -202.195 -160.842 139.362 8.81008 -22.1953 -68.5527 PRESSAVG: 1021800 -13.3966 -30.9128 13.0515 -30.9128 -20.3329 47.4579 13.0515 47.4578 52.4112 GPRESSAVG: 1021800 -13.0682 -30.0909 13.0742 -31.4583 -21.8871 48.7343 10.7703 48.1585 53.6591 TIMING: 1021800 CPU: 2967.4, 0.00288763/step Wall: 2967.4, 0.00288763/step, 3.19099 hours remaining, 206.382812 MB of memory in use. ENERGY: 1021800 759.3650 2039.6038 2011.6194 123.7647 -206635.5664 17835.8864 0.0000 0.0000 34155.9925 -149709.3345 298.2928 -183865.3270 -149613.1841 297.4742 -124.5876 -90.1573 558638.0290 6.2272 6.2346 PRESSURE: 1022000 -19.2906 -30.6158 -13.5133 -30.6157 192.244 -80.2512 -13.5134 -80.2506 67.7211 GPRESSURE: 1022000 77.9025 -77.1909 54.7218 16.36 181.706 -178.366 -41.9288 16.9122 69.0563 PRESSAVG: 1022000 9.14427 -67.6075 21.964 -67.6075 -56.4959 -47.2931 21.964 -47.2931 56.1674 GPRESSAVG: 1022000 7.54016 -67.3065 19.4685 -67.9306 -56.1053 -48.8372 24.8001 -48.0431 57.3069 TIMING: 1022000 CPU: 2967.98, 0.00289927/step Wall: 2967.98, 0.00289927/step, 3.20369 hours remaining, 206.382812 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: 1022000 759.4778 2081.6079 1980.2517 127.7221 -206660.0457 18094.7968 0.0000 0.0000 33993.2815 -149622.9079 296.8718 -183616.1893 -149522.9170 297.7738 80.2249 109.5548 557801.6360 2.9386 2.9139 PRESSURE: 1022200 -64.3223 -35.0794 -153.974 -35.0794 61.7701 -27.4186 -153.975 -27.418 32.4001 GPRESSURE: 1022200 29.8736 -37.596 -235.032 -126.517 51.571 -45.3621 -165.889 -61.3307 52.851 PRESSAVG: 1022200 11.6272 7.46802 -25.9506 7.46805 -39.7374 -71.5207 -25.9505 -71.5206 55.94 GPRESSAVG: 1022200 12.7613 9.43551 -24.0284 6.42393 -39.0774 -69.5176 -27.1535 -71.9503 53.2217 TIMING: 1022200 CPU: 2968.56, 0.00290187/step Wall: 2968.56, 0.00290187/step, 3.2064 hours remaining, 206.382812 MB of memory in use. ENERGY: 1022200 721.2514 2100.8480 1966.1698 113.6074 -206576.7393 17965.3760 0.0000 0.0000 34208.6223 -149500.8645 298.7524 -183709.4868 -149411.8067 297.7396 9.9493 44.7652 558256.7482 9.2766 8.9686 PRESSURE: 1022400 -15.617 -129.837 148.07 -129.835 -27.2813 224.831 148.072 224.833 102.173 GPRESSURE: 1022400 9.20863 -106.863 137.235 -12.7616 26.4674 130.44 139.539 177.612 115.093 PRESSAVG: 1022400 -12.3057 -26.1821 2.26087 -26.182 -25.7519 19.7708 2.2609 19.7708 17.4964 GPRESSAVG: 1022400 -12.4901 -28.5009 0.984664 -24.1088 -27.0638 18.8795 1.6817 19.8199 19.063 TIMING: 1022400 CPU: 2969.15, 0.00291355/step Wall: 2969.15, 0.00291355/step, 3.21915 hours remaining, 206.382812 MB of memory in use. ENERGY: 1022400 713.5390 2051.0457 1966.2599 112.8108 -206162.5540 17799.5255 0.0000 0.0000 34111.7751 -149407.5980 297.9066 -183519.3731 -149304.3485 297.8224 19.7582 50.2563 556892.7418 -6.8537 -6.8303 PRESSURE: 1022600 -181.569 -20.6958 39.6231 -20.6959 39.9606 132.245 39.6228 132.246 -69.1606 GPRESSURE: 1022600 -141.214 40.3146 34.8312 -64.2086 24.8687 136.626 3.87852 118.161 -6.75722 PRESSAVG: 1022600 36.2711 -22.9761 -26.1956 -22.9761 -20.2647 30.0738 -26.1956 30.074 5.61976 GPRESSAVG: 1022600 35.8667 -21.7769 -24.1423 -24.7796 -19.1483 31.1032 -26.1367 29.1955 5.0774 TIMING: 1022600 CPU: 2969.73, 0.00290984/step Wall: 2969.73, 0.00290984/step, 3.21488 hours remaining, 206.382812 MB of memory in use. ENERGY: 1022600 727.9807 2064.8587 1991.9628 117.3623 -206040.6619 17765.9094 0.0000 0.0000 34356.4894 -149016.0986 300.0438 -183372.5879 -148926.4393 298.8375 -70.2565 -41.0340 559556.9685 7.2087 7.2653 PRESSURE: 1022800 103.792 72.8005 -125.604 72.8017 37.2695 -231.77 -125.605 -231.77 176.527 GPRESSURE: 1022800 153.375 48.282 -187.237 -32.7809 111.278 -290.657 -85.4553 -175.738 150.19 PRESSAVG: 1022800 -41.9244 -12.9029 6.73454 -12.9029 86.2964 4.52333 6.73451 4.52335 -33.7013 GPRESSAVG: 1022800 -40.623 -12.3866 4.99744 -13.8125 85.4 4.30504 6.55528 3.59978 -33.9339 TIMING: 1022800 CPU: 2970.31, 0.00288689/step Wall: 2970.31, 0.00288689/step, 3.18937 hours remaining, 206.382812 MB of memory in use. ENERGY: 1022800 763.4326 2124.2764 1961.3963 103.7345 -206292.5387 17996.5341 0.0000 0.0000 34272.5126 -149070.6522 299.3104 -183343.1648 -148974.6319 299.5520 105.8629 138.2807 556665.3668 3.5569 3.6143 PRESSURE: 1023000 175.246 -36.9318 -2.17465 -36.931 107.061 71.7147 -2.17551 71.713 52.3755 GPRESSURE: 1023000 167.838 4.26782 15.6983 -112.547 165.972 38.269 -14.1111 46.3306 104.486 PRESSAVG: 1023000 38.344 14.1276 -23.5841 14.1275 -29.5505 -41.0899 -23.5841 -41.0899 8.35923 GPRESSAVG: 1023000 37.2545 13.4632 -24.1446 13.4474 -28.0356 -42.8417 -24.0204 -39.2315 7.97288 TIMING: 1023000 CPU: 2970.88, 0.00289212/step Wall: 2970.88, 0.00289212/step, 3.19499 hours remaining, 206.382812 MB of memory in use. ENERGY: 1023000 760.1057 2099.1644 1971.1950 122.1976 -206056.6128 17994.3446 0.0000 0.0000 34129.8061 -148979.7995 298.0641 -183109.6056 -148887.6204 299.5223 111.5611 146.0985 557140.6390 5.7176 5.7306 PRESSURE: 1023200 -129.663 125.883 -105.282 125.884 103.207 -56.1771 -105.281 -56.1778 26.7757 GPRESSURE: 1023200 -33.4165 79.455 -80.2872 150.879 85.6168 -81.3259 -57.0791 -69.0472 45.5956 PRESSAVG: 1023200 46.6351 66.4371 7.64504 66.4371 -32.1751 -9.675 7.64503 -9.67501 -49.555 GPRESSAVG: 1023200 46.3667 66.3621 7.05342 66.8052 -32.8653 -9.53228 9.01364 -9.92126 -48.6771 TIMING: 1023200 CPU: 2971.46, 0.00290093/step Wall: 2971.46, 0.00290093/step, 3.20456 hours remaining, 206.382812 MB of memory in use. ENERGY: 1023200 719.9810 2029.1370 1984.6933 126.4292 -205986.4584 17676.3246 0.0000 0.0000 34512.0538 -148937.8394 301.4023 -183449.8932 -148840.1793 299.4706 0.1067 32.5986 557202.8818 -11.6983 -11.7253 PRESSURE: 1023400 359.992 40.6367 -93.5156 40.6373 97.4325 -128.341 -93.5166 -128.34 -152.489 GPRESSURE: 1023400 374.009 48.4907 -2.33919 31.7309 122.574 -69.7201 -148.368 -132.616 -98.8819 PRESSAVG: 1023400 27.5861 8.44172 -13.2792 8.44183 39.0676 -52.3636 -13.2792 -52.3636 1.01872 GPRESSAVG: 1023400 27.851 6.61222 -11.1298 9.03477 39.2957 -52.7279 -15.0239 -52.483 0.145302 TIMING: 1023400 CPU: 2972.05, 0.002906/step Wall: 2972.05, 0.002906/step, 3.21 hours remaining, 206.382812 MB of memory in use. ENERGY: 1023400 754.2142 2060.1993 2001.7260 127.5576 -206261.2100 17925.8582 0.0000 0.0000 34598.8014 -148792.8534 302.1599 -183391.6547 -148697.1463 300.9671 101.6449 132.5671 557814.9168 22.5575 22.4307 PRESSURE: 1023600 -187.241 52.0751 -24.9856 52.0752 -100.55 26.2184 -24.9878 26.2182 -292.74 GPRESSURE: 1023600 -230.297 87.6178 -70.6246 34.1793 8.25898 86.0617 -67.7905 37.541 -268.534 PRESSAVG: 1023600 42.1175 3.87077 -84.6856 3.87078 -24.8854 -40.2238 -84.6856 -40.2238 -42.3402 GPRESSAVG: 1023600 42.8309 6.0024 -85.9417 3.46782 -25.1816 -39.3087 -84.2846 -38.985 -42.3022 TIMING: 1023600 CPU: 2972.62, 0.00287539/step Wall: 2972.62, 0.00287539/step, 3.17603 hours remaining, 206.382812 MB of memory in use. ENERGY: 1023600 745.3023 2096.5644 1970.4662 109.3433 -205750.6246 17511.2525 0.0000 0.0000 34405.8381 -148911.8579 300.4747 -183317.6960 -148809.2413 300.0997 -193.5105 -163.5239 558317.4989 -8.3694 -8.2176 PRESSURE: 1023800 -247.944 -156.989 -223.251 -156.99 105.727 115.727 -223.251 115.726 -114.304 GPRESSURE: 1023800 -223.93 -84.8961 -147.876 -173.56 180.355 33.5524 -300.506 109.37 -114.333 PRESSAVG: 1023800 -14.302 -27.7294 -35.0083 -27.7294 52.2867 26.004 -35.0083 26.0039 -17.5651 GPRESSAVG: 1023800 -15.4288 -26.7966 -35.245 -27.438 53.2208 25.5122 -35.9193 25.4654 -17.4085 TIMING: 1023800 CPU: 2973.2, 0.00290069/step Wall: 2973.2, 0.00290069/step, 3.20382 hours remaining, 206.382812 MB of memory in use. ENERGY: 1023800 770.5722 2050.9438 1964.5499 109.7450 -206116.3199 17845.5502 0.0000 0.0000 34419.2228 -148955.7360 300.5916 -183374.9588 -148861.6429 299.9510 -85.5070 -52.6363 557833.3585 6.8065 6.7945 PRESSURE: 1024000 61.7354 95.5109 86.4884 95.5098 127.229 -137.194 86.4873 -137.194 10.3145 GPRESSURE: 1024000 138.399 118.134 88.7005 154.716 136.465 -169.702 36.8198 -118.318 26.0164 PRESSAVG: 1024000 -127.572 24.1478 9.91857 24.1477 76.1364 -46.8529 9.91849 -46.8529 10.291 GPRESSAVG: 1024000 -126.998 21.7828 10.7137 25.1023 74.5164 -46.3871 9.27437 -47.0792 11.2674 TIMING: 1024000 CPU: 2973.78, 0.00290582/step Wall: 2973.78, 0.00290582/step, 3.20932 hours remaining, 206.382812 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: 1024000 742.2579 2124.9074 1983.2616 110.2662 -206337.9080 17964.3614 0.0000 0.0000 34464.2464 -148948.6071 300.9848 -183412.8535 -148852.6036 300.1277 66.4262 100.2937 556910.9147 -13.7148 -13.7381 PRESSURE: 1024200 -49.8182 -56.432 -69.9457 -56.432 -128.445 -224.781 -69.9459 -224.779 194.942 GPRESSURE: 1024200 -13.1205 -135.277 -47.7426 -16.8378 -83.6668 -248.127 -26.4692 -182.782 212.738 PRESSAVG: 1024200 -88.8458 -42.7597 8.0144 -42.7597 7.87099 -36.4476 8.0144 -36.4476 74.902 GPRESSAVG: 1024200 -89.0452 -41.2089 9.25713 -43.3704 8.32473 -38.5284 8.95108 -34.063 74.274 TIMING: 1024200 CPU: 2974.36, 0.00290643/step Wall: 2974.36, 0.00290643/step, 3.20983 hours remaining, 206.382812 MB of memory in use. ENERGY: 1024200 731.2042 2063.2948 1979.3339 112.5729 -205928.4978 17766.1293 0.0000 0.0000 34278.5773 -148997.3854 299.3633 -183275.9628 -148894.0952 299.8465 5.5597 38.6503 557682.7821 -2.0243 -2.1489 LDB: ============= START OF LOAD BALANCING ============== 2977.83 LDB: ============== END OF LOAD BALANCING =============== 2977.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2977.83 LDB: ============= START OF LOAD BALANCING ============== 2978.12 LDB: Largest compute 4820 load 0.028453 is 24.2% of average load 0.117582 LDB: Average compute 0.001731 is 1.5% of average load 0.117582 LDB: TIME 2978.13 LOAD: AVG 0.117582 MAX 0.179531 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.73 MB LDB: TIME 2978.13 LOAD: AVG 0.117582 MAX 0.179531 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.793 MB LDB: TIME 2978.13 LOAD: AVG 0.117582 MAX 0.179531 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2978.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2978.13 PRESSURE: 1024400 -217.312 131.559 358.407 131.558 93.3564 104.74 358.407 104.741 -59.0923 GPRESSURE: 1024400 -194.654 91.1963 342.329 179.058 140.85 109.887 297.821 162.668 -34.4375 PRESSAVG: 1024400 -42.9342 -50.6602 50.2837 -50.6603 -58.5528 11.1242 50.2837 11.1244 77.2704 GPRESSAVG: 1024400 -42.5362 -51.7496 48.1935 -48.8097 -58.7998 13.211 49.7625 7.8963 76.8014 TIMING: 1024400 CPU: 2974.96, 0.00296228/step Wall: 2974.96, 0.00296228/step, 3.27134 hours remaining, 203.882812 MB of memory in use. ENERGY: 1024400 755.0365 2141.2616 1974.8083 119.1415 -205982.1673 17711.9264 0.0000 0.0000 34250.7184 -149029.2748 299.1200 -183279.9931 -148928.4401 299.3303 -61.0160 -29.4138 557879.4555 -8.0722 -8.1782 PRESSURE: 1024600 80.4445 -40.6836 -201.562 -40.6821 301.424 -36.3074 -201.564 -36.3091 136.406 GPRESSURE: 1024600 100.984 43.0219 -209.802 -40.4415 340.25 -145.762 -195.856 48.9834 178.044 PRESSAVG: 1024600 -91.3146 23.1437 25.4627 23.1438 -46.9648 77.8965 25.4627 77.8967 122.567 GPRESSAVG: 1024600 -91.5469 22.4955 26.9517 19.9109 -47.998 78.0895 25.9375 78.6321 123.968 TIMING: 1024600 CPU: 2975.54, 0.00289609/step Wall: 2975.54, 0.00289609/step, 3.19809 hours remaining, 203.882812 MB of memory in use. ENERGY: 1024600 712.8989 2111.2257 1977.0678 105.2203 -206310.6440 17984.1200 0.0000 0.0000 34344.4015 -149075.7097 299.9382 -183420.1112 -148982.0070 299.5356 172.7583 206.4260 556423.9905 -5.2373 -5.1923 PRESSURE: 1024800 -99.1643 -97.7337 124.517 -97.7338 39.8695 121.995 124.516 121.995 -179.784 GPRESSURE: 1024800 -115.922 -71.2121 193.597 -179.502 93.2923 60.7605 148.008 164.516 -125.488 PRESSAVG: 1024800 -17.9337 -3.4015 9.15601 -3.40148 -4.73158 16.2534 9.15596 16.2535 3.44471 GPRESSAVG: 1024800 -17.2338 -1.42544 7.56465 -3.20657 -4.60567 14.0206 11.3689 17.4421 3.08511 TIMING: 1024800 CPU: 2976.12, 0.00290976/step Wall: 2976.12, 0.00290976/step, 3.21303 hours remaining, 203.941406 MB of memory in use. ENERGY: 1024800 719.6696 2069.0797 1952.7700 111.8084 -206177.8759 17700.2670 0.0000 0.0000 34499.1583 -149125.1229 301.2897 -183624.2812 -149021.7426 300.2235 -79.6928 -49.3725 556494.5499 -6.4069 -6.2515 PRESSURE: 1025000 33.5639 172.632 -96.0114 172.632 -5.5873 -64.7942 -96.0121 -64.7941 -302.871 GPRESSURE: 1025000 27.194 184.243 -5.38729 166.587 3.19535 -1.49095 -46.8358 -7.83444 -203.048 PRESSAVG: 1025000 -2.40511 -20.766 7.73769 -20.766 -47.1898 60.0547 7.73765 60.0547 40.0008 GPRESSAVG: 1025000 -1.7902 -19.0834 6.76404 -20.9573 -47.0491 61.8799 6.56555 58.8523 39.6578 TIMING: 1025000 CPU: 2976.7, 0.00290035/step Wall: 2976.7, 0.00290035/step, 3.20247 hours remaining, 203.941406 MB of memory in use. ENERGY: 1025000 750.0942 2059.0403 1994.9503 106.2257 -206089.7618 17813.4623 0.0000 0.0000 34367.1407 -148998.8482 300.1368 -183365.9889 -148903.8418 300.1755 -91.6314 -57.5530 557180.3778 -3.1980 -3.0605 PRESSURE: 1025200 44.1284 -62.2653 22.6829 -62.2652 -272.762 -5.49064 22.6826 -5.48917 -246.715 GPRESSURE: 1025200 73.9184 36.8216 -18.4101 -181.691 -274.689 -10.905 60.6978 -58.7908 -175.227 PRESSAVG: 1025200 41.386 -35.6081 -6.99258 -35.6081 -43.2379 31.571 -6.99255 31.571 13.0911 GPRESSAVG: 1025200 41.476 -37.6326 -3.71574 -36.5559 -44.5985 29.5982 -7.39867 32.2875 13.8553 TIMING: 1025200 CPU: 2977.27, 0.00288711/step Wall: 2977.27, 0.00288711/step, 3.18769 hours remaining, 203.941406 MB of memory in use. ENERGY: 1025200 754.8726 2134.2873 1944.0798 106.5637 -205973.3228 17669.1308 0.0000 0.0000 34383.4317 -148980.9568 300.2791 -183364.3885 -148883.6601 299.3973 -158.4496 -125.3323 558768.7633 3.7464 3.5776 PRESSURE: 1025400 174.299 -114.852 120.748 -114.852 -212.394 4.3065 120.749 4.3069 -288.764 GPRESSURE: 1025400 205.576 -202.699 122.316 -65.3616 -192.987 23.3661 43.9917 30.1439 -253.712 PRESSAVG: 1025400 77.9509 -10.9406 45.9411 -10.9405 -70.7069 -10.8879 45.9411 -10.8878 -15.389 GPRESSAVG: 1025400 77.3908 -10.086 45.326 -11.3864 -70.3238 -8.11203 43.5882 -11.8981 -15.4043 TIMING: 1025400 CPU: 2977.86, 0.00290116/step Wall: 2977.86, 0.00290116/step, 3.20304 hours remaining, 203.941406 MB of memory in use. ENERGY: 1025400 753.7554 2082.9943 1949.6791 128.9952 -205836.0440 17682.7628 0.0000 0.0000 34302.7897 -148935.0676 299.5748 -183237.8573 -148829.3240 299.1821 -108.9528 -80.3745 557355.0665 -2.7150 -2.7791 PRESSURE: 1025600 198.973 3.51446 20.2746 3.51486 33.1309 -184.522 20.2749 -184.522 34.3393 GPRESSURE: 1025600 207.178 19.799 21.636 -48.429 108.976 -169.095 8.94912 -209.184 43.3976 PRESSAVG: 1025600 88.2985 -32.6107 10.894 -32.6106 19.7143 -39.8994 10.8939 -39.8993 -63.2073 GPRESSAVG: 1025600 87.7614 -35.4206 8.86853 -30.6122 20.0895 -41.3732 13.274 -40.5905 -63.0446 TIMING: 1025600 CPU: 2978.44, 0.00290988/step Wall: 2978.44, 0.00290988/step, 3.21251 hours remaining, 203.941406 MB of memory in use. ENERGY: 1025600 744.6220 2024.7102 1974.2201 114.7443 -206132.2356 17963.5908 0.0000 0.0000 34345.8243 -148964.5238 299.9506 -183310.3481 -148865.9398 300.2370 88.8145 119.8508 556759.9670 14.9351 14.9354 PRESSURE: 1025800 -201.03 16.9125 -26.2343 16.9117 -270.761 -42.5567 -26.2339 -42.556 -251.09 GPRESSURE: 1025800 -171.871 -13.0854 38.3306 81.1865 -212.241 -56.2012 -85.5553 -68.1963 -243.564 PRESSAVG: 1025800 -5.71069 43.0217 -6.71469 43.0217 2.21276 -34.8327 -6.7145 -34.8327 -35.253 GPRESSAVG: 1025800 -4.94878 45.6626 -3.95793 42.6493 2.4176 -33.4084 -7.74371 -33.1408 -36.1567 TIMING: 1025800 CPU: 2979.02, 0.00291298/step Wall: 2979.02, 0.00291298/step, 3.21577 hours remaining, 203.941406 MB of memory in use. ENERGY: 1025800 739.2443 2141.7443 1970.7401 110.6638 -205534.7193 17354.9847 0.0000 0.0000 34064.0879 -149153.2541 297.4902 -183217.3420 -149052.2284 299.4780 -240.9605 -209.2252 558548.6016 -12.9170 -12.8960 PRESSURE: 1026000 164.307 170.793 151.589 170.795 145.805 14.9223 151.59 14.9211 -1.78982 GPRESSURE: 1026000 204.231 180.332 113.794 144.51 140.771 6.66217 142.227 49.0854 61.9148 PRESSAVG: 1026000 3.39703 19.7892 -6.61473 19.7891 42.2593 40.1401 -6.61464 40.1401 -24.8541 GPRESSAVG: 1026000 4.58604 18.1476 -7.48359 20.0731 41.932 40.6967 -6.38716 37.0722 -25.5021 TIMING: 1026000 CPU: 2979.6, 0.00291704/step Wall: 2979.6, 0.00291704/step, 3.22009 hours remaining, 203.941406 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: 1026000 721.2985 2034.7801 1950.8305 103.3844 -206439.3752 18035.3963 0.0000 0.0000 34356.1948 -149237.4906 300.0412 -183593.6854 -149131.5314 298.8556 102.7741 135.6389 558246.7602 6.9341 7.0053 PRESSURE: 1026200 -242.73 -20.0832 -85.0625 -20.0852 -134.501 116.717 -85.0627 116.718 -31.7212 GPRESSURE: 1026200 -137.888 14.909 -64.8038 -1.04667 -154.509 140.998 47.5068 86.863 -9.86136 PRESSAVG: 1026200 -10.0071 18.4764 -14.5425 18.4764 -24.6729 37.2355 -14.5424 37.2355 61.0268 GPRESSAVG: 1026200 -9.79455 20.827 -14.5447 18.1219 -24.9503 35.9015 -12.5956 38.3098 61.6147 TIMING: 1026200 CPU: 2980.18, 0.00289609/step Wall: 2980.18, 0.00289609/step, 3.1968 hours remaining, 203.941406 MB of memory in use. ENERGY: 1026200 769.1542 2057.0404 1958.5108 126.2511 -206290.1722 17900.9676 0.0000 0.0000 34149.8856 -149328.3626 298.2394 -183478.2481 -149224.9632 298.4752 -136.3175 -100.7528 557874.0772 8.7822 8.9566 PRESSURE: 1026400 -263.852 -24.7144 -55.0854 -24.7152 61.0841 -47.5064 -55.0851 -47.5064 -72.7485 GPRESSURE: 1026400 -219.595 -67.6366 5.94604 -16.0018 107.506 -9.08197 -38.5019 34.8214 -64.8533 PRESSAVG: 1026400 -28.7454 -31.283 -34.5676 -31.283 35.6803 50.1594 -34.5676 50.1594 -1.11807 GPRESSAVG: 1026400 -29.9264 -31.1271 -33.202 -31.0448 36.7275 50.7881 -37.1803 50.4098 -1.01425 TIMING: 1026400 CPU: 2980.76, 0.00289705/step Wall: 2980.76, 0.00289705/step, 3.19769 hours remaining, 203.941406 MB of memory in use. ENERGY: 1026400 743.4694 2099.1214 1994.6054 100.9492 -206347.3828 17815.8016 0.0000 0.0000 34367.3267 -149226.1091 300.1384 -183593.4358 -149135.7819 299.4406 -91.8388 -58.9806 558085.4740 1.9389 1.9290 PRESSURE: 1026600 -249.029 -66.2359 -203.657 -66.2351 -84.2743 69.7702 -203.654 69.769 167.928 GPRESSURE: 1026600 -131.825 -63.0882 -274.68 -10.8966 -100.491 172.154 -185.83 21.5295 165.839 PRESSAVG: 1026600 -15.4855 -50.3466 -11.6522 -50.3466 4.89604 4.86957 -11.6523 4.86954 -3.49485 GPRESSAVG: 1026600 -15.417 -50.8441 -12.3167 -50.3735 4.13153 7.06654 -11.4297 4.45327 -2.72718 TIMING: 1026600 CPU: 2981.34, 0.0029096/step Wall: 2981.34, 0.0029096/step, 3.21139 hours remaining, 204.007812 MB of memory in use. ENERGY: 1026600 767.3789 2105.1074 1989.2980 138.8529 -206193.4752 17900.8179 0.0000 0.0000 34029.3928 -149262.6272 297.1872 -183292.0201 -149169.8715 299.1761 -55.1253 -22.1590 558070.7044 -4.6948 -4.6709 PRESSURE: 1026800 -137.965 -39.1756 -122.219 -39.1763 -7.14523 46.7228 -122.22 46.7227 34.6551 GPRESSURE: 1026800 -106.885 -6.16949 -115.284 -54.7938 18.8209 22.0837 -161.913 13.6439 65.4397 PRESSAVG: 1026800 -51.0515 6.31254 30.8763 6.3125 16.6506 38.9941 30.8763 38.9941 16.8917 GPRESSAVG: 1026800 -50.4359 6.49274 30.0977 5.46301 16.5375 34.1277 31.1897 40.8255 16.394 TIMING: 1026800 CPU: 2981.92, 0.00289906/step Wall: 2981.92, 0.00289906/step, 3.1996 hours remaining, 204.007812 MB of memory in use. ENERGY: 1026800 746.9484 2074.5727 2009.4203 115.5523 -206322.4296 17976.4778 0.0000 0.0000 34075.5766 -149323.8816 297.5905 -183399.4582 -149231.8870 300.0143 -36.8184 -7.5414 558582.4259 -5.8364 -5.8348 PRESSURE: 1027000 41.8754 -49.1111 -175.505 -49.1123 132.653 -53.4032 -175.505 -53.4047 70.9091 GPRESSURE: 1027000 67.9706 -81.8808 -201.703 -20.1902 167.263 -13.1394 -112.895 -35.0967 116.916 PRESSAVG: 1027000 -5.22036 9.46259 -36.9006 9.46263 37.7223 38.4702 -36.9007 38.4703 -33.9138 GPRESSAVG: 1027000 -5.65497 10.1477 -38.2188 9.47452 38.6656 39.4709 -37.1207 37.4416 -34.2856 TIMING: 1027000 CPU: 2982.5, 0.00290085/step Wall: 2982.5, 0.00290085/step, 3.20141 hours remaining, 204.007812 MB of memory in use. ENERGY: 1027000 714.5324 2099.9877 1951.6001 108.5703 -206415.2075 17940.3699 0.0000 0.0000 34230.1188 -149370.0282 298.9401 -183600.1470 -149271.3066 299.2814 81.8125 117.3832 557148.2261 -0.4706 -0.4250 PRESSURE: 1027200 -145.482 112.249 -21.5854 112.249 -241.482 164.244 -21.586 164.245 -482.869 GPRESSURE: 1027200 -138.126 91.3388 -71.5476 186.482 -211.21 121.239 6.96158 35.9035 -428.23 PRESSAVG: 1027200 18.025 6.82058 36.2621 6.82061 20.2981 -41.8786 36.2621 -41.8784 -35.6512 GPRESSAVG: 1027200 17.3897 5.64451 36.7336 6.85394 20.3375 -42.1716 36.1158 -41.5007 -35.7035 TIMING: 1027200 CPU: 2983.09, 0.00291924/step Wall: 2983.09, 0.00291924/step, 3.22155 hours remaining, 204.007812 MB of memory in use. ENERGY: 1027200 761.3072 2100.9254 1975.9712 119.3474 -206126.7058 17537.4180 0.0000 0.0000 34351.0242 -149280.7125 299.9960 -183631.7366 -149185.7588 298.9504 -289.9443 -259.1885 557735.7635 0.8907 0.6746 PRESSURE: 1027400 -39.0284 198.806 -148.337 198.805 -158.676 38.5207 -148.337 38.5227 -367.191 GPRESSURE: 1027400 -25.7313 200.053 -154.264 174.111 -159.65 74.7914 -63.2072 21.4948 -279.032 PRESSAVG: 1027400 51.2671 28.1174 -14.0506 28.1172 -57.9192 25.1159 -14.0505 25.116 49.6036 GPRESSAVG: 1027400 52.2602 27.7059 -13.334 26.722 -58.7654 26.7563 -13.9811 24.3076 49.3985 TIMING: 1027400 CPU: 2983.68, 0.00294151/step Wall: 2983.68, 0.00294151/step, 3.24596 hours remaining, 204.007812 MB of memory in use. ENERGY: 1027400 740.4984 2084.1882 1989.6487 108.5923 -206073.8829 17554.5754 0.0000 0.0000 34249.2955 -149347.0843 299.1076 -183596.3799 -149250.4517 298.7621 -188.2985 -154.8044 558647.5011 14.3172 14.2978 PRESSURE: 1027600 45.0444 -56.338 -70.9454 -56.3362 -165.478 97.2258 -70.9451 97.2262 12.4429 GPRESSURE: 1027600 17.0766 -97.5037 -25.9321 -23.3615 -95.5903 -3.55685 -146.553 180.626 71.5568 PRESSAVG: 1027600 23.586 56.9742 -45.8293 56.9741 26.5088 2.69866 -45.8294 2.69877 -8.97379 GPRESSAVG: 1027600 22.8192 55.0779 -45.1272 60.7219 27.0044 1.99009 -48.4618 5.24589 -8.78549 TIMING: 1027600 CPU: 2984.25, 0.00288849/step Wall: 2984.25, 0.00288849/step, 3.18729 hours remaining, 204.007812 MB of memory in use. ENERGY: 1027600 728.6196 2124.0350 1978.3202 113.7064 -206208.4020 17597.9788 0.0000 0.0000 34389.2669 -149276.4750 300.3300 -183665.7419 -149184.1888 299.0498 -35.9970 -2.3190 555431.8944 13.7070 13.6794 PRESSURE: 1027800 -240.347 -29.1405 -67.8296 -29.1391 -101.704 -14.0369 -67.8292 -14.0348 -107.986 GPRESSURE: 1027800 -163.524 -38.2468 -77.0604 30.9287 -85.4326 -28.8649 -81.5107 -19.067 -112.689 PRESSAVG: 1027800 64.1338 11.9954 5.23396 11.9954 18.7915 1.47992 5.23392 1.47993 13.0236 GPRESSAVG: 1027800 63.2377 15.3119 3.74797 9.10727 18.6203 0.72999 9.43599 0.451974 13.3964 TIMING: 1027800 CPU: 2984.83, 0.00288071/step Wall: 2984.83, 0.00288071/step, 3.17855 hours remaining, 204.007812 MB of memory in use. ENERGY: 1027800 724.4734 2131.5946 1976.1150 114.4563 -205950.9745 17504.8751 0.0000 0.0000 34152.9465 -149346.5136 298.2662 -183499.4601 -149247.3973 298.8384 -150.0124 -120.5484 555926.9495 31.9830 31.7515 PRESSURE: 1028000 -155.949 -66.7235 -120.293 -66.7218 -187.582 -141.415 -120.294 -141.415 -100.354 GPRESSURE: 1028000 -121 -67.0376 -142.891 -112.671 -134.768 -166.122 -126.784 -127.322 -92.2669 PRESSAVG: 1028000 -16.7329 -37.055 23.0662 -37.0549 -32.2237 -21.9636 23.0662 -21.9636 46.4304 GPRESSAVG: 1028000 -15.8026 -37.9632 22.5555 -36.7366 -32.6141 -21.0599 22.9361 -22.731 46.0294 TIMING: 1028000 CPU: 2985.41, 0.00289696/step Wall: 2985.41, 0.00289696/step, 3.19631 hours remaining, 204.007812 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: 1028000 743.1900 2129.8521 1970.3086 122.1127 -205930.7165 17570.7484 0.0000 0.0000 34039.7653 -149354.7395 297.2777 -183394.5048 -149254.5749 298.3328 -147.9617 -116.0118 557245.2560 -0.8420 -0.7957 PRESSURE: 1028200 3.63216 -108.328 -48.1408 -108.329 159.014 4.39589 -48.1404 4.39456 111.895 GPRESSURE: 1028200 24.5622 -96.591 53.0349 -27.5197 134.354 44.1289 -42.9017 -68.747 209.4 PRESSAVG: 1028200 -1.75123 -10.3803 3.4712 -10.3803 -28.806 -37.6057 3.47123 -37.6057 20.6623 GPRESSAVG: 1028200 -1.9351 -10.5932 3.46434 -10.1734 -28.6025 -40.0393 3.81899 -35.961 20.1289 TIMING: 1028200 CPU: 2985.99, 0.00289069/step Wall: 2985.99, 0.00289069/step, 3.18923 hours remaining, 204.007812 MB of memory in use. ENERGY: 1028200 729.5361 2076.9953 2000.7652 121.4898 -206260.6679 17844.4887 0.0000 0.0000 34178.3780 -149309.0147 298.4883 -183487.3927 -149213.7743 298.9972 91.5139 122.7721 556249.4309 -3.2983 -3.4696 LDB: ============= START OF LOAD BALANCING ============== 2989.45 LDB: ============== END OF LOAD BALANCING =============== 2989.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2989.46 LDB: ============= START OF LOAD BALANCING ============== 2989.75 LDB: Largest compute 4820 load 0.029007 is 24.7% of average load 0.117602 LDB: Average compute 0.001742 is 1.5% of average load 0.117602 LDB: TIME 2989.75 LOAD: AVG 0.117602 MAX 0.17905 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.961 MB LDB: TIME 2989.75 LOAD: AVG 0.117602 MAX 0.17905 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: TIME 2989.75 LOAD: AVG 0.117602 MAX 0.17905 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: ============== END OF LOAD BALANCING =============== 2989.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2989.76 PRESSURE: 1028400 71.8406 110.282 9.55236 110.282 253.234 -41.6054 9.55244 -41.6048 49.7742 GPRESSURE: 1028400 137.519 42.1405 -45.7657 155.775 244.998 -10.7523 23.271 -63.5633 87.1676 PRESSAVG: 1028400 -0.867367 -41.0162 5.87718 -41.0162 -18.5818 36.1764 5.87719 36.1766 -21.8942 GPRESSAVG: 1028400 -0.362356 -40.2296 7.9892 -41.4754 -19.976 37.9436 4.21842 34.6518 -21.0292 TIMING: 1028400 CPU: 2986.58, 0.00296768/step Wall: 2986.58, 0.00296768/step, 3.27401 hours remaining, 204.230469 MB of memory in use. ENERGY: 1028400 724.1389 2121.7584 1973.0797 111.7904 -206537.3220 17884.4591 0.0000 0.0000 34411.6591 -149310.4365 300.5256 -183722.0955 -149215.4367 298.8811 124.9496 156.5615 556327.5238 -13.7811 -13.7892 PRESSURE: 1028600 -8.02845 -118.761 156.182 -118.761 29.4886 -56.3962 156.183 -56.3958 33.2806 GPRESSURE: 1028600 51.1 -158.141 198.273 -160.571 64.5275 62.2842 129.496 -87.9909 24.2357 PRESSAVG: 1028600 17.7056 -23.9113 17.7061 -23.9113 52.7563 -0.609871 17.7061 -0.609964 -49.3756 GPRESSAVG: 1028600 17.2557 -25.961 16.0129 -23.7856 53.4726 0.928709 17.5026 -0.908435 -49.6941 TIMING: 1028600 CPU: 2987.16, 0.00291599/step Wall: 2987.16, 0.00291599/step, 3.21682 hours remaining, 204.488281 MB of memory in use. ENERGY: 1028600 731.3852 2105.8967 1959.4470 112.8768 -206485.1378 17827.8198 0.0000 0.0000 34254.9872 -149492.7251 299.1573 -183747.7123 -149392.8112 298.7834 18.2469 46.6211 557383.0009 7.0288 7.0114 PRESSURE: 1028800 -60.6682 7.22627 72.2661 7.22719 -184.449 122.929 72.2661 122.93 -276.782 GPRESSURE: 1028800 -38.9529 17.3881 29.0637 -89.509 -163.243 80.7036 77.7465 58.8972 -226.946 PRESSAVG: 1028800 40.9061 10.8541 -19.3861 10.8541 -24.7695 43.5544 -19.3859 43.5544 -44.0597 GPRESSAVG: 1028800 39.7199 10.775 -19.0582 10.6727 -23.5987 43.0127 -20.6133 43.0095 -44.6368 TIMING: 1028800 CPU: 2987.75, 0.00291902/step Wall: 2987.75, 0.00291902/step, 3.22001 hours remaining, 204.488281 MB of memory in use. ENERGY: 1028800 777.3377 2109.9346 1993.1313 119.3873 -206320.5613 17818.8562 0.0000 0.0000 34114.7916 -149387.1227 297.9330 -183501.9142 -149295.0153 299.0797 -173.9664 -143.0473 557587.0481 -9.3077 -9.5052 PRESSURE: 1029000 -174.99 86.6984 8.86679 86.6985 131.42 -19.155 8.86524 -19.1556 195.289 GPRESSURE: 1029000 -165.261 153.355 -49.2859 15.2967 184.676 -33.908 44.744 -15.3789 223.336 PRESSAVG: 1029000 -10.0369 -31.3682 28.5541 -31.3683 4.53452 14.4662 28.5542 14.4661 29.831 GPRESSAVG: 1029000 -9.34599 -30.1285 27.6048 -31.495 5.86693 13.8674 30.9476 14.8493 28.2001 TIMING: 1029000 CPU: 2988.34, 0.0029393/step Wall: 2988.34, 0.0029393/step, 3.24221 hours remaining, 204.488281 MB of memory in use. ENERGY: 1029000 727.3947 2078.1546 1978.3625 122.1225 -206326.9589 17835.4280 0.0000 0.0000 34077.0006 -149508.4959 297.6029 -183585.4965 -149403.7034 298.9581 50.5732 80.9170 556189.2777 8.1095 8.2404 PRESSURE: 1029200 -114.165 48.4699 -205.301 48.4702 -191.066 42.258 -205.301 42.2592 -142.082 GPRESSURE: 1029200 -78.2195 -17.2332 -301.428 107.716 -189.325 -37.4013 -151.312 41.2817 -74.9188 PRESSAVG: 1029200 -21.2678 -31.0655 -2.50536 -31.0656 -10.8887 18.9176 -2.5053 18.9178 14.7144 GPRESSAVG: 1029200 -21.6952 -32.733 -2.89093 -30.2881 -12.4724 17.3676 -3.56474 20.4302 16.3497 TIMING: 1029200 CPU: 2988.92, 0.00290464/step Wall: 2988.92, 0.00290464/step, 3.20382 hours remaining, 204.597656 MB of memory in use. ENERGY: 1029200 753.3741 2126.9254 1978.9151 107.7975 -206357.3838 17691.7355 0.0000 0.0000 34185.9128 -149512.7234 298.5541 -183698.6362 -149423.6989 298.4795 -149.1041 -114.1543 555995.2490 -5.8140 -5.9393 PRESSURE: 1029400 -344.677 13.4484 153.974 13.4483 34.4061 -67.9692 153.975 -67.9698 -354.117 GPRESSURE: 1029400 -315.024 -32.0329 161.396 56.4665 96.8013 -30.3002 155.66 -119.081 -340.637 PRESSAVG: 1029400 -19.0415 5.62073 1.56044 5.62068 -26.2801 20.7574 1.56051 20.7574 50.3732 GPRESSAVG: 1029400 -19.0594 5.53318 4.81486 4.42692 -27.1412 24.8404 0.777678 17.1219 50.9092 TIMING: 1029400 CPU: 2989.5, 0.00289804/step Wall: 2989.5, 0.00289804/step, 3.19638 hours remaining, 204.597656 MB of memory in use. ENERGY: 1029400 755.0062 2118.4264 1994.0046 119.4662 -206396.0893 17643.7831 0.0000 0.0000 34277.0945 -149488.3083 299.3504 -183765.4027 -149383.3006 298.8100 -221.4626 -186.2866 555630.4049 1.6839 1.5695 PRESSURE: 1029600 105.532 -37.9522 -70.9191 -37.9504 -72.1411 19.0768 -70.9179 19.0776 -87.9986 GPRESSURE: 1029600 73.506 -13.1464 -1.08906 -49.2059 -2.13395 -9.01539 -186.892 24.0944 -32.7726 PRESSAVG: 1029600 43.1229 -1.50017 -10.0147 -1.50008 53.6053 51.4768 -10.0148 51.4767 -82.5293 GPRESSAVG: 1029600 44.5636 0.431407 -10.8114 -2.4273 51.9654 48.3477 -12.2229 54.61 -82.7705 TIMING: 1029600 CPU: 2990.08, 0.00290454/step Wall: 2990.08, 0.00290454/step, 3.20338 hours remaining, 204.722656 MB of memory in use. ENERGY: 1029600 785.3407 2075.1209 1980.2244 108.5078 -206596.1655 17894.9969 0.0000 0.0000 34316.6925 -149435.2823 299.6962 -183751.9748 -149342.6648 298.2494 -18.2026 12.8665 556126.7411 4.7330 4.5862 PRESSURE: 1029800 -223.963 -47.9038 129.765 -47.904 -129.998 -72.0759 129.764 -72.0777 98.0138 GPRESSURE: 1029800 -148.142 -18.6836 69.4824 -96.8348 -142.773 -15.8984 185.972 -77.8367 137.396 PRESSAVG: 1029800 0.491752 -8.61869 -40.4663 -8.61871 -27.4416 11.7241 -40.4664 11.7241 -7.08945 GPRESSAVG: 1029800 -0.902456 -8.36618 -41.9682 -6.7531 -25.9845 10.8267 -37.3119 10.268 -7.50652 TIMING: 1029800 CPU: 2990.66, 0.00291664/step Wall: 2990.66, 0.00291664/step, 3.21657 hours remaining, 204.722656 MB of memory in use. ENERGY: 1029800 777.4147 2137.0231 1956.3721 120.2698 -206329.8389 17762.4849 0.0000 0.0000 34265.5168 -149310.7576 299.2493 -183576.2743 -149218.2851 299.2150 -85.3157 -51.1733 556592.7017 -11.3464 -11.4645 PRESSURE: 1030000 176.443 134.207 -14.7809 134.207 134.737 182.74 -14.7822 182.739 140.354 GPRESSURE: 1030000 224.164 151.018 22.7397 90.0951 200.92 191.361 -59.5404 121.478 129.777 PRESSAVG: 1030000 3.14914 3.97408 -19.539 3.9742 -45.1054 15.5499 -19.5391 15.5499 89.3731 GPRESSAVG: 1030000 4.44544 2.84193 -19.988 4.05345 -45.3328 16.3114 -19.382 16.6663 88.5873 TIMING: 1030000 CPU: 2991.24, 0.00290278/step Wall: 2991.24, 0.00290278/step, 3.20112 hours remaining, 204.722656 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: 1030000 757.7704 2098.3945 1955.9562 115.9962 -206775.8084 18248.4041 0.0000 0.0000 34214.5780 -149384.7091 298.8044 -183599.2871 -149287.0282 298.7081 150.5112 184.9538 556718.8735 15.8056 15.9000 PRESSURE: 1030200 -47.4867 14.121 -140.461 14.1221 -264.701 16.9839 -140.461 16.986 103.871 GPRESSURE: 1030200 24.5258 -33.2017 -142.449 -17.0329 -252.383 40.6932 -181.741 -58.5347 116.596 PRESSAVG: 1030200 49.6411 28.1614 -18.756 28.1613 -95.7944 10.257 -18.7559 10.2571 70.7867 GPRESSAVG: 1030200 49.5024 28.2008 -15.9861 27.8871 -94.9547 11.1154 -21.8179 8.35115 70.1759 TIMING: 1030200 CPU: 2991.82, 0.00291494/step Wall: 2991.82, 0.00291494/step, 3.21437 hours remaining, 204.722656 MB of memory in use. ENERGY: 1030200 743.5697 2069.1773 1968.1711 114.4567 -206331.4525 17850.2262 0.0000 0.0000 34205.4889 -149380.3626 298.7250 -183585.8515 -149293.5348 298.8955 -69.4389 -37.0871 557876.9458 8.2111 8.2412 PRESSURE: 1030400 -4.61856 -9.86067 -89.3828 -9.86037 -367.778 28.6371 -89.3827 28.6366 23.6062 GPRESSURE: 1030400 16.7195 -2.34494 -100.42 -28.4643 -329.801 -27.1688 -117.235 30.4183 67.4789 PRESSAVG: 1030400 5.44826 -22.5187 -51.1509 -22.5186 40.0246 36.4817 -51.1509 36.4817 -15.4221 GPRESSAVG: 1030400 4.22119 -23.2483 -52.7119 -20.705 40.32 34.5285 -50.0864 35.7747 -14.135 TIMING: 1030400 CPU: 2992.41, 0.00290818/step Wall: 2992.41, 0.00290818/step, 3.20676 hours remaining, 204.722656 MB of memory in use. ENERGY: 1030400 761.2478 2083.4834 1974.4624 122.8676 -206327.1478 17604.2528 0.0000 0.0000 34375.5386 -149405.2953 300.2101 -183780.8339 -149311.6205 298.6200 -116.2635 -81.8677 556916.5497 10.0169 10.1354 PRESSURE: 1030600 -388.239 20.602 -100.85 20.6017 -248.637 87.1006 -100.85 87.1014 -144.545 GPRESSURE: 1030600 -411.33 73.8751 -33.7851 121.906 -149.939 52.9249 -181.914 70.2927 -139.222 PRESSAVG: 1030600 73.1422 -30.2277 19.2399 -30.2277 -71.4375 -12.5725 19.24 -12.5726 34.3845 GPRESSAVG: 1030600 74.5821 -31.1962 19.3504 -30.8781 -71.5417 -10.164 20.468 -13.499 33.5103 TIMING: 1030600 CPU: 2992.98, 0.00288802/step Wall: 2992.98, 0.00288802/step, 3.18436 hours remaining, 204.722656 MB of memory in use. ENERGY: 1030600 744.1465 2081.2028 1958.7845 95.1730 -206026.7016 17468.6728 0.0000 0.0000 34339.4112 -149339.3108 299.8946 -183678.7221 -149244.2953 298.6042 -260.4735 -233.4971 558825.3995 12.0297 12.1836 PRESSURE: 1030800 108.222 -89.3525 -19.4128 -89.3537 -172.149 146.739 -19.4125 146.738 -189.185 GPRESSURE: 1030800 176.248 -65.0481 -18.2944 -64.5558 -166.315 23.1573 -8.99929 222.962 -168.604 PRESSAVG: 1030800 0.853045 11.2947 18.4924 11.2946 -46.7627 -8.79923 18.4923 -8.79905 7.13813 GPRESSAVG: 1030800 -0.250595 12.5988 17.5999 9.31421 -46.163 -9.23162 17.7813 -5.57003 7.45664 TIMING: 1030800 CPU: 2993.57, 0.00292145/step Wall: 2993.57, 0.00292145/step, 3.22106 hours remaining, 204.722656 MB of memory in use. ENERGY: 1030800 746.3628 1976.1975 1980.7170 112.5312 -206279.5872 17861.3541 0.0000 0.0000 34308.7520 -149293.6725 299.6269 -183602.4245 -149195.3921 298.5101 -84.3705 -52.8904 558996.5873 -12.9239 -12.9857 PRESSURE: 1031000 43.7404 102.736 89.7567 102.735 -88.5847 -71.0203 89.7573 -71.0209 -125.621 GPRESSURE: 1031000 8.83061 73.9862 138.045 101.142 -25.3728 -71.0661 65.8121 -98.8897 -70.3895 PRESSAVG: 1031000 50.5696 20.0373 48.5746 20.0373 49.9716 -34.5617 48.5746 -34.5617 -62.1531 GPRESSAVG: 1031000 51.5754 19.9389 48.2243 20.869 48.978 -36.6749 46.9064 -35.4778 -62.0785 TIMING: 1031000 CPU: 2994.15, 0.00289875/step Wall: 2994.15, 0.00289875/step, 3.19587 hours remaining, 204.722656 MB of memory in use. ENERGY: 1031000 761.2851 2014.0304 1956.9910 113.1419 -205993.6189 17609.2132 0.0000 0.0000 34112.7115 -149426.2458 297.9148 -183538.9573 -149326.3340 298.5049 -56.8219 -28.9772 557292.3957 12.7960 12.8250 PRESSURE: 1031200 -129.809 28.2915 -204.062 28.2904 -229.299 -15.8298 -204.061 -15.8303 70.9232 GPRESSURE: 1031200 -65.0167 4.64333 -254.044 24.9426 -192.313 -20.9059 -213.494 -34.7403 80.6609 PRESSAVG: 1031200 9.86346 15.7747 -21.8611 15.7747 53.8867 -3.98988 -21.8611 -3.98987 -42.929 GPRESSAVG: 1031200 10.1325 14.1455 -22.1691 15.1346 53.4488 -3.3312 -20.5163 -5.76488 -42.7555 TIMING: 1031200 CPU: 2994.73, 0.00291149/step Wall: 2994.73, 0.00291149/step, 3.20975 hours remaining, 204.722656 MB of memory in use. ENERGY: 1031200 743.6193 2019.5525 1974.1345 112.3001 -206230.8248 17600.1699 0.0000 0.0000 34204.0021 -149577.0464 298.7121 -183781.0485 -149477.0265 298.1262 -96.0615 -58.8897 555880.1941 6.9404 6.9419 PRESSURE: 1031400 79.6842 136.083 60.1716 136.083 0.963843 -5.20698 60.1736 -5.20933 -214.398 GPRESSURE: 1031400 82.5594 100.993 64.348 83.5948 61.7365 -23.2284 52.7763 -59.9815 -181.798 PRESSAVG: 1031400 17.8203 41.4068 28.0449 41.4069 -47.8094 49.5813 28.0449 49.5813 23.2381 GPRESSAVG: 1031400 16.5751 43.226 28.2258 39.3235 -47.6479 49.6223 28.9716 51.0124 23.3208 TIMING: 1031400 CPU: 2995.31, 0.00289331/step Wall: 2995.31, 0.00289331/step, 3.18955 hours remaining, 204.722656 MB of memory in use. ENERGY: 1031400 750.1266 2120.4723 1946.0032 127.7565 -206203.6907 17778.3340 0.0000 0.0000 34223.6217 -149257.3765 298.8834 -183480.9982 -149159.5200 298.6349 -44.5834 -12.5007 557389.6565 -2.2504 -2.5840 PRESSURE: 1031600 -80.8018 9.58022 -53.4809 9.57973 -198.553 -53.7956 -53.4819 -53.7963 -256.48 GPRESSURE: 1031600 -72.9256 28.9936 -59.7777 13.2195 -178.748 -100.831 -88.9738 7.84794 -187.067 PRESSAVG: 1031600 30.142 -1.23769 19.702 -1.23772 -103.805 -20.1288 19.702 -20.1288 110.764 GPRESSAVG: 1031600 28.5764 -3.71073 21.6999 2.68621 -102.011 -21.4127 17.7514 -19.7935 110.902 TIMING: 1031600 CPU: 2995.9, 0.00293677/step Wall: 2995.9, 0.00293677/step, 3.2373 hours remaining, 204.722656 MB of memory in use. ENERGY: 1031600 730.4355 2062.7339 1991.0450 113.1306 -206171.2049 17580.7157 0.0000 0.0000 34385.6480 -149307.4963 300.2984 -183693.1443 -149205.4209 299.1599 -178.6115 -146.2466 558107.5907 12.3670 12.4893 PRESSURE: 1031800 68.269 33.4884 68.016 33.4881 277.008 -96.8054 68.0155 -96.8042 12.5166 GPRESSURE: 1031800 75.0246 -14.7968 3.19097 27.9473 331.564 -43.3801 44.5883 -206.47 50.4279 PRESSAVG: 1031800 87.8966 27.6965 18.6793 27.6966 -76.272 30.3129 18.6793 30.3129 14.5168 GPRESSAVG: 1031800 89.352 30.3181 17.3722 24.306 -76.6889 31.8131 19.3984 29.3022 13.5261 TIMING: 1031800 CPU: 2996.47, 0.00289712/step Wall: 2996.47, 0.00289712/step, 3.19343 hours remaining, 204.722656 MB of memory in use. ENERGY: 1031800 771.4682 2059.8459 1948.7302 106.9685 -206306.0549 17983.1926 0.0000 0.0000 34294.4247 -149141.4249 299.5017 -183435.8496 -149044.3038 299.2806 119.2644 152.3390 556311.8814 8.7138 8.7297 PRESSURE: 1032000 -126.171 -50.1687 54.8356 -50.1681 -141.596 -87.5044 54.836 -87.5036 6.8579 GPRESSURE: 1032000 -97.6616 -136.887 121.252 -24.2672 -109.454 -72.7994 2.10598 -53.0409 28.3285 PRESSAVG: 1032000 -85.8301 -1.05624 14.2103 -1.05627 50.7589 -19.0752 14.2103 -19.0752 38.2011 GPRESSAVG: 1032000 -84.3992 -5.07491 15.0051 3.06251 49.6694 -19.5581 13.5749 -17.1558 37.5702 TIMING: 1032000 CPU: 2997.06, 0.00290718/step Wall: 2997.06, 0.00290718/step, 3.20436 hours remaining, 204.722656 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: 1032000 733.1929 2067.6646 1966.2899 121.5569 -206300.7294 17823.4363 0.0000 0.0000 34516.5372 -149072.0516 301.4415 -183588.5888 -148976.4889 299.8967 -86.9696 -59.5957 557290.0316 1.0433 0.9468 PRESSURE: 1032200 -149.233 21.4547 17.5821 21.4547 -229.129 -26.9372 17.5815 -26.9361 -166.187 GPRESSURE: 1032200 -124.192 46.679 10.7441 -36.0834 -143.456 -14.5069 -15.0117 -152.195 -177.037 PRESSAVG: 1032200 -17.4581 -24.8222 4.40281 -24.8223 -4.60277 -41.666 4.40286 -41.6661 38.8715 GPRESSAVG: 1032200 -18.3393 -22.8293 3.25849 -27.0548 -3.38088 -40.1643 5.04918 -44.5732 38.5303 TIMING: 1032200 CPU: 2997.63, 0.00288103/step Wall: 2997.63, 0.00288103/step, 3.17537 hours remaining, 204.722656 MB of memory in use. ENERGY: 1032200 738.1284 2035.0520 1994.5142 118.5692 -205825.4927 17456.8184 0.0000 0.0000 34280.2245 -149202.1860 299.3777 -183482.4104 -149107.7641 300.2041 -181.5162 -148.2286 557171.3907 5.6035 5.6034 LDB: ============= START OF LOAD BALANCING ============== 3001.1 LDB: ============== END OF LOAD BALANCING =============== 3001.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3001.1 LDB: ============= START OF LOAD BALANCING ============== 3001.39 LDB: Largest compute 4820 load 0.028190 is 24.0% of average load 0.117603 LDB: Average compute 0.001746 is 1.5% of average load 0.117603 LDB: TIME 3001.39 LOAD: AVG 0.117603 MAX 0.1793 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.73 MB LDB: TIME 3001.39 LOAD: AVG 0.117603 MAX 0.1793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 3001.39 LOAD: AVG 0.117603 MAX 0.1793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 3001.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3001.4 PRESSURE: 1032400 -69.2565 38.9915 -133.921 38.9913 -34.8049 45.1538 -133.921 45.1519 145.26 GPRESSURE: 1032400 -37.146 -26.6083 -120.585 122.831 3.26055 101.771 -109.02 53.3329 170.846 PRESSAVG: 1032400 12.6577 -11.337 -90.0853 -11.3371 -28.148 -13.3779 -90.0853 -13.3778 -10.5883 GPRESSAVG: 1032400 13.0325 -9.49883 -91.0989 -12.3185 -29.2119 -14.3156 -89.3281 -11.5187 -10.2389 TIMING: 1032400 CPU: 2998.22, 0.00294766/step Wall: 2998.22, 0.00294766/step, 3.24865 hours remaining, 203.667969 MB of memory in use. ENERGY: 1032400 769.2360 2039.1417 1960.6062 111.0135 -206136.3779 17865.1416 0.0000 0.0000 34044.9968 -149346.2421 297.3234 -183391.2388 -149248.3951 299.1690 13.7327 45.6535 555821.3227 -8.6929 -8.8061 PRESSURE: 1032600 141.963 -13.1043 125.508 -13.1043 36.4968 -20.0531 125.509 -20.0548 -24.7185 GPRESSURE: 1032600 223.915 35.5575 143.328 7.37228 28.0642 -31.1487 71.8138 20.9188 -19.3134 PRESSAVG: 1032600 31.3253 -6.91573 -7.6057 -6.91571 -16.0503 -10.9125 -7.60581 -10.9124 -7.74717 GPRESSAVG: 1032600 29.7671 -8.42551 -7.2262 -5.9092 -15.1735 -9.94694 -8.63789 -11.2233 -7.39321 TIMING: 1032600 CPU: 2998.8, 0.00289859/step Wall: 2998.8, 0.00289859/step, 3.19441 hours remaining, 204.128906 MB of memory in use. ENERGY: 1032600 714.5279 2057.9525 1981.5614 110.6061 -206444.4596 17801.8859 0.0000 0.0000 34480.1972 -149297.7285 301.1241 -183777.9257 -149198.8976 298.0694 51.2472 77.5552 555724.5279 2.5093 2.4001 PRESSURE: 1032800 68.3059 -41.7829 -89.103 -41.7821 -77.7965 -89.649 -89.1018 -89.6498 25.3098 GPRESSURE: 1032800 45.6634 -8.81365 -149.986 -97.0217 -91.488 -127.235 -102.96 -48.7052 159.185 PRESSAVG: 1032800 -22.1352 3.79624 -5.27829 3.79621 -3.86926 34.2502 -5.27822 34.2503 20.9722 GPRESSAVG: 1032800 -21.1319 3.82884 -4.71891 4.73782 -4.13205 31.3791 -6.37726 36.3857 20.7157 TIMING: 1032800 CPU: 2999.38, 0.00290829/step Wall: 2999.38, 0.00290829/step, 3.20493 hours remaining, 204.128906 MB of memory in use. ENERGY: 1032800 724.5449 2036.9977 2005.6126 121.1262 -206192.2495 17688.2869 0.0000 0.0000 34442.5302 -149173.1510 300.7952 -183615.6812 -149080.2138 298.9879 5.2731 37.7869 555541.8825 -1.6774 -1.5161 PRESSURE: 1033000 222.191 -158.507 -28.922 -158.508 271.413 -130.396 -28.9221 -130.396 23.3422 GPRESSURE: 1033000 260.164 -175.812 -43.2989 -165.101 337.475 -85.9576 -11.5008 -101.703 15.0985 PRESSAVG: 1033000 -18.1109 -9.89109 -48.4331 -9.89098 -3.63215 -44.8846 -48.4332 -44.8844 21.8997 GPRESSAVG: 1033000 -17.6014 -9.65655 -49.554 -9.732 -4.60231 -42.4301 -45.4767 -47.906 22.9165 TIMING: 1033000 CPU: 2999.96, 0.00290116/step Wall: 2999.96, 0.00290116/step, 3.19692 hours remaining, 204.128906 MB of memory in use. ENERGY: 1033000 739.6543 2081.8565 1974.9245 118.5906 -206841.5031 18143.3390 0.0000 0.0000 34451.7455 -149331.3926 300.8757 -183783.1380 -149233.4465 299.2107 172.3155 204.2461 555981.2770 0.0522 0.2376 PRESSURE: 1033200 -88.0688 -1.15712 -35.5158 -1.15847 -68.0793 -0.617166 -35.5159 -0.617633 -162.768 GPRESSURE: 1033200 -97.9502 26.0823 -113.144 -35.6366 -43.8006 -40.5812 47.8571 9.62264 -79.7943 PRESSAVG: 1033200 -35.9839 -32.6622 -13.9647 -32.6622 -58.4811 -26.7801 -13.9648 -26.78 58.2578 GPRESSAVG: 1033200 -36.6052 -33.4995 -14.007 -34.1211 -56.5391 -29.13 -15.9634 -25.9127 56.8984 TIMING: 1033200 CPU: 3000.54, 0.00286944/step Wall: 3000.54, 0.00286943/step, 3.1618 hours remaining, 204.128906 MB of memory in use. ENERGY: 1033200 721.9039 2017.5578 1982.7415 104.1952 -206135.3633 17758.1668 0.0000 0.0000 34316.4048 -149234.3933 299.6937 -183550.7981 -149135.0832 299.1789 -106.3055 -73.8484 557625.1808 -12.0691 -12.0820 PRESSURE: 1033400 82.3561 48.0986 -119.133 48.0978 -5.46802 152.913 -119.135 152.911 173.909 GPRESSURE: 1033400 122.166 82.136 -77.0467 -64.8782 -52.0884 164.299 -128.754 115.375 264.992 PRESSAVG: 1033400 -2.90656 26.66 -26.3334 26.66 49.5932 22.9273 -26.3334 22.9272 -44.7907 GPRESSAVG: 1033400 -3.03755 25.9886 -26.4192 25.7042 48.6499 24.0648 -24.6335 25.104 -43.9797 TIMING: 1033400 CPU: 3001.12, 0.00289085/step Wall: 3001.12, 0.00289085/step, 3.18523 hours remaining, 204.128906 MB of memory in use. ENERGY: 1033400 741.8764 2078.5251 1955.0442 106.4706 -206049.9996 17888.6576 0.0000 0.0000 34187.8542 -149091.5714 298.5710 -183279.4256 -149001.1052 299.8073 83.5991 111.6897 556757.2393 0.6320 0.5442 PRESSURE: 1033600 -57.4467 -27.6059 47.0134 -27.6047 135.352 -14.5549 47.0124 -14.5545 -295.036 GPRESSURE: 1033600 -31.8815 28.6798 33.4051 -22.5593 120.728 41.5057 153.612 -36.8032 -208.98 PRESSAVG: 1033600 7.52165 17.1456 -0.215759 17.1456 70.2757 19.4538 -0.215789 19.4538 -1.96651 GPRESSAVG: 1033600 7.74195 18.7364 -0.71768 17.7334 70.3291 18.4938 -1.13645 18.0824 -1.47976 TIMING: 1033600 CPU: 3001.7, 0.00290754/step Wall: 3001.7, 0.00290754/step, 3.20346 hours remaining, 204.253906 MB of memory in use. ENERGY: 1033600 722.5864 2073.8807 1993.1031 110.6090 -206093.0630 17756.9008 0.0000 0.0000 34340.1889 -149095.7941 299.9014 -183435.9830 -149000.0758 299.8358 -72.3772 -40.0446 557162.2478 25.2769 25.5304 PRESSURE: 1033800 20.84 158.746 -92.7816 158.746 -114.934 20.3359 -92.782 20.3355 92.7095 GPRESSURE: 1033800 -22.5142 136.806 -50.8094 126.447 -6.22426 91.8158 -216.456 12.9458 119.654 PRESSAVG: 1033800 10.8053 -16.7605 6.08387 -16.7606 74.1771 37.9071 6.08384 37.907 -41.1529 GPRESSAVG: 1033800 10.8377 -18.5957 7.25905 -17.1029 74.2584 38.3294 4.82065 37.597 -40.9656 TIMING: 1033800 CPU: 3002.28, 0.00292179/step Wall: 3002.28, 0.00292179/step, 3.219 hours remaining, 204.253906 MB of memory in use. ENERGY: 1033800 754.8572 2068.6937 1990.7550 116.7209 -205929.6596 17691.2761 0.0000 0.0000 34290.5092 -149016.8476 299.4675 -183307.3568 -148921.0673 299.7593 -0.4614 30.3053 557902.0477 14.6098 14.7102 PRESSURE: 1034000 95.953 111.888 21.2768 111.888 -147.491 81.4228 21.2777 81.4207 130.442 GPRESSURE: 1034000 106.118 121.759 35.7945 146.651 -98.5514 150.387 -29.4955 8.43402 175.238 PRESSAVG: 1034000 51.4101 50.5628 27.5124 50.5628 -2.90113 -15.0326 27.5124 -15.0326 -79.1979 GPRESSAVG: 1034000 50.5727 52.4919 28.9662 52.4197 -2.67328 -15.6938 26.8852 -15.1113 -78.7163 TIMING: 1034000 CPU: 3002.87, 0.00292839/step Wall: 3002.87, 0.00292839/step, 3.22611 hours remaining, 204.253906 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: 1034000 722.4742 2114.6746 1957.3586 118.6029 -206159.9967 17907.3010 0.0000 0.0000 34173.1703 -149166.4151 298.4428 -183339.5854 -149063.2193 300.2819 26.3015 60.9351 558518.7760 -10.2296 -10.2723 PRESSURE: 1034200 -133.553 -32.5846 164.24 -32.5842 -30.4583 -42.2356 164.24 -42.2344 -96.7537 GPRESSURE: 1034200 -62.6053 3.56816 99.8614 -38.5068 -14.0271 69.775 199.513 -102.248 -77.5757 PRESSAVG: 1034200 -7.79925 44.4615 42.6469 44.4615 -12.4922 -12.4085 42.647 -12.4084 -34.0263 GPRESSAVG: 1034200 -6.68125 46.029 41.3799 42.4343 -11.3176 -12.2992 44.5862 -13.0707 -35.9756 TIMING: 1034200 CPU: 3003.45, 0.00292281/step Wall: 3003.45, 0.00292281/step, 3.2198 hours remaining, 204.355469 MB of memory in use. ENERGY: 1034200 708.8204 2084.7520 1986.1050 100.0884 -205887.8919 17611.1451 0.0000 0.0000 34313.2538 -149083.7272 299.6662 -183396.9810 -148985.4229 299.3944 -86.9216 -51.4027 558140.3401 -18.1059 -17.9915 PRESSURE: 1034400 171.414 -14.464 -119.791 -14.4663 79.406 -24.7897 -119.792 -24.7886 289.056 GPRESSURE: 1034400 183.333 -39.1903 -27.0988 40.9345 129.347 2.20985 -97.3982 12.5895 313.851 PRESSAVG: 1034400 -10.2102 -21.9906 65.9111 -21.9906 4.77537 24.134 65.911 24.1341 14.1125 GPRESSAVG: 1034400 -11.0797 -23.1029 65.8737 -19.6413 3.82375 23.3396 65.8497 26.006 15.9517 TIMING: 1034400 CPU: 3004.04, 0.00293307/step Wall: 3004.04, 0.00293307/step, 3.23094 hours remaining, 204.355469 MB of memory in use. ENERGY: 1034400 717.8890 2135.1753 1985.6852 112.5994 -206225.5290 17913.7262 0.0000 0.0000 34181.9702 -149178.4837 298.5196 -183360.4540 -149075.7554 299.5694 179.9587 208.8437 556553.4063 2.8925 2.8986 PRESSURE: 1034600 -4.91038 -82.9215 -194.119 -82.9209 -148.859 -62.1711 -194.12 -62.1724 119.515 GPRESSURE: 1034600 -42.5148 -50.8625 -284.199 -39.6863 -132.962 -40.2623 -87.6656 -128.903 249.12 PRESSAVG: 1034600 39.964 -14.007 -7.25327 -14.0071 -33.534 -26.3185 -7.25336 -26.3184 20.1213 GPRESSAVG: 1034600 40.5201 -15.6175 -6.42844 -13.7842 -32.9315 -24.948 -7.3344 -27.0761 19.625 TIMING: 1034600 CPU: 3004.62, 0.00290212/step Wall: 3004.62, 0.00290212/step, 3.19669 hours remaining, 204.355469 MB of memory in use. ENERGY: 1034600 766.1642 2109.4474 1991.6283 97.8455 -206353.5387 17907.3619 0.0000 0.0000 34339.2230 -149141.8685 299.8930 -183481.0915 -149040.1618 299.2861 -11.4183 24.5477 557146.0618 8.8505 9.0712 PRESSURE: 1034800 -12.3642 -157.177 161.467 -157.178 -178.319 -77.7163 161.468 -77.7146 -123.872 GPRESSURE: 1034800 -6.87866 -137.787 144.192 -96.2293 -114.215 -147.02 144.548 -84.7375 -102.105 PRESSAVG: 1034800 -24.4529 -41.3733 -26.966 -41.3733 18.7197 -13.3704 -26.9659 -13.3704 5.63673 GPRESSAVG: 1034800 -25.6893 -39.8635 -26.7425 -43.9599 18.8647 -15.0167 -27.9107 -13.3076 6.5393 TIMING: 1034800 CPU: 3005.2, 0.00291944/step Wall: 3005.2, 0.00291944/step, 3.2156 hours remaining, 204.355469 MB of memory in use. ENERGY: 1034800 737.6754 2104.6648 1981.9678 117.1497 -205587.0634 17435.1492 0.0000 0.0000 34060.4217 -149150.0347 297.4581 -183210.4565 -149055.3762 299.9802 -104.8516 -74.3995 556848.6889 -0.0322 -0.0951 PRESSURE: 1035000 -295.884 33.5014 51.4797 33.5022 -172.627 -35.2645 51.4802 -35.2647 -27.5617 GPRESSURE: 1035000 -274.366 17.3771 76.1525 65.2781 -126.486 -115.358 32.5611 -24.2037 9.4378 PRESSAVG: 1035000 56.3896 -12.5265 -26.4824 -12.5266 3.48415 37.3072 -26.4824 37.3071 -44.4406 GPRESSAVG: 1035000 58.6478 -11.9162 -28.1829 -11.9221 2.92015 39.087 -24.9112 37.2119 -46.5472 TIMING: 1035000 CPU: 3005.79, 0.00291627/step Wall: 3005.79, 0.00291627/step, 3.21195 hours remaining, 204.355469 MB of memory in use. ENERGY: 1035000 730.9297 2056.2816 1974.1303 118.3588 -205756.4583 17493.8273 0.0000 0.0000 34307.7068 -149075.2236 299.6177 -183382.9304 -148972.8404 299.5421 -165.3575 -130.4715 556537.9038 5.1444 5.0069 PRESSURE: 1035200 -185.621 -11.5652 18.076 -11.566 182.527 -34.591 18.0766 -34.5909 -129.931 GPRESSURE: 1035200 -109.517 -37.2291 50.7243 23.3936 206.358 2.16936 -9.10944 -130.017 -128.554 PRESSAVG: 1035200 16.209 5.1828 34.3202 5.18284 22.919 3.22661 34.3203 3.22652 -41.0087 GPRESSAVG: 1035200 14.6084 5.90195 34.1764 4.62073 22.9662 4.48942 33.4075 3.4622 -40.0742 TIMING: 1035200 CPU: 3006.37, 0.00290324/step Wall: 3006.37, 0.00290324/step, 3.19743 hours remaining, 204.355469 MB of memory in use. ENERGY: 1035200 763.1306 2096.2661 1976.2280 111.1327 -205983.9254 17510.8550 0.0000 0.0000 34277.7538 -149248.5593 299.3561 -183526.3131 -149146.0849 299.0784 -44.3417 -10.5710 555259.3344 -0.6269 -0.8332 PRESSURE: 1035400 -129.52 -108.414 -98.0106 -108.415 -272.82 62.0793 -98.0098 62.0796 45.2007 GPRESSURE: 1035400 -98.7041 -116.002 -110.208 -107.268 -229.165 87.3218 -112.328 67.32 71.9004 PRESSAVG: 1035400 -5.9904 9.03889 -1.72121 9.03887 -4.578 5.70852 -1.72124 5.70851 -38.1908 GPRESSAVG: 1035400 -6.76752 7.22479 -1.34415 10.1643 -4.21774 5.51913 -1.20783 5.21027 -38.0546 TIMING: 1035400 CPU: 3006.95, 0.00289749/step Wall: 3006.95, 0.00289749/step, 3.19094 hours remaining, 204.355469 MB of memory in use. ENERGY: 1035400 773.3087 2112.2357 1981.0561 111.3262 -206104.3970 17570.5438 0.0000 0.0000 34417.2149 -149138.7116 300.5741 -183555.9264 -149041.0543 299.0153 -119.0464 -85.3230 555486.5460 -16.2531 -16.3466 PRESSURE: 1035600 -164.824 -6.47182 137.08 -6.47287 218.944 54.9925 137.078 54.9928 -272.148 GPRESSURE: 1035600 -151.87 -7.87017 234.002 89.3452 280.384 49.8929 163.869 81.0966 -257.088 PRESSAVG: 1035600 -19.1391 3.57404 2.87196 3.57413 -2.77454 -25.1329 2.87183 -25.1329 36.3473 GPRESSAVG: 1035600 -19.8986 2.14957 4.13453 4.00237 -2.96632 -25.4313 -0.0904165 -26.4745 36.9564 TIMING: 1035600 CPU: 3007.53, 0.00292822/step Wall: 3007.53, 0.00292822/step, 3.22462 hours remaining, 204.355469 MB of memory in use. ENERGY: 1035600 769.0215 2093.1713 1985.7539 112.1661 -206037.8058 17725.4229 0.0000 0.0000 34161.7486 -149190.5215 298.3430 -183352.2701 -149093.9698 298.8738 -72.6759 -42.8579 556944.1365 4.8112 4.6972 PRESSURE: 1035800 70.4345 124.932 -12.0434 124.932 -416.832 16.1271 -12.0433 16.128 -30.9715 GPRESSURE: 1035800 88.2281 122.442 -9.8873 44.9905 -359.063 -27.4293 -0.15431 39.401 4.49368 PRESSAVG: 1035800 -17.6655 -6.66875 22.8044 -6.66865 -12.2006 -11.9356 22.8043 -11.9355 6.58836 GPRESSAVG: 1035800 -17.7546 -4.89724 21.5702 -9.07027 -10.9699 -12.7027 27.3861 -11.2247 5.61994 TIMING: 1035800 CPU: 3008.11, 0.00291036/step Wall: 3008.11, 0.00291036/step, 3.20479 hours remaining, 204.355469 MB of memory in use. ENERGY: 1035800 801.8650 2132.0807 1978.9811 118.9748 -206327.1702 17715.8046 0.0000 0.0000 34269.1176 -149310.3464 299.2807 -183579.4640 -149221.5331 298.6830 -125.7897 -88.7806 556323.7670 -7.7593 -7.7015 PRESSURE: 1036000 -108.335 126.324 -195.29 126.325 -201.411 20.1848 -195.292 20.1857 -124.449 GPRESSURE: 1036000 -129.466 152.81 -201.298 106.846 -109.954 -97.0966 -212.752 41.5454 -99.4987 PRESSAVG: 1036000 21.3079 62.5438 13.8737 62.5438 -12.1506 35.6136 13.8737 35.6136 15.5056 GPRESSAVG: 1036000 22.8843 63.3813 14.4909 63.7531 -13.5334 35.3328 10.6828 35.9749 14.8091 TIMING: 1036000 CPU: 3008.7, 0.00291977/step Wall: 3008.7, 0.00291977/step, 3.21499 hours remaining, 204.355469 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: 1036000 739.6250 2047.0584 1946.4491 107.7112 -206169.6415 17717.3058 0.0000 0.0000 34308.3828 -149303.1093 299.6236 -183611.4921 -149201.3365 299.4337 -144.7316 -112.9730 558223.5262 8.2210 8.0533 PRESSURE: 1036200 -207.055 205.229 -57.5117 205.23 -51.4027 17.1406 -57.5096 17.14 -101.99 GPRESSURE: 1036200 -224.997 204.452 -32.1216 195.457 -33.8106 -3.23095 -79.4546 -21.8648 -24.9221 PRESSAVG: 1036200 -92.5213 19.9754 -2.71148 19.9753 71.6361 -64.7622 -2.71146 -64.7623 -43.2985 GPRESSAVG: 1036200 -93.3783 16.3657 -2.81383 22.5009 70.7163 -63.5653 -0.829966 -65.4241 -41.3963 TIMING: 1036200 CPU: 3009.28, 0.0029012/step Wall: 3009.28, 0.0029012/step, 3.19438 hours remaining, 204.355469 MB of memory in use. ENERGY: 1036200 733.5221 2112.1248 1975.0343 119.3663 -206408.8102 17845.0534 0.0000 0.0000 34357.1668 -149266.5425 300.0497 -183623.7093 -149172.3038 298.9909 -120.1494 -94.5765 558519.8333 -21.3946 -21.3528 LDB: ============= START OF LOAD BALANCING ============== 3012.75 LDB: ============== END OF LOAD BALANCING =============== 3012.75 LDB: =============== DONE WITH MIGRATION ================ 3012.75 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 3013.04 LDB: Largest compute 4820 load 0.029367 is 25.0% of average load 0.117663 LDB: Average compute 0.001743 is 1.5% of average load 0.117663 LDB: TIME 3013.04 LOAD: AVG 0.117663 MAX 0.178627 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.926 MB LDB: TIME 3013.04 LOAD: AVG 0.117663 MAX 0.178627 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.172 MB LDB: TIME 3013.04 LOAD: AVG 0.117663 MAX 0.178627 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.172 MB LDB: ============== END OF LOAD BALANCING =============== 3013.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3013.05 PRESSURE: 1036400 97.3054 -32.4767 135.926 -32.4779 58.9306 89.4292 135.926 89.4315 -180.453 GPRESSURE: 1036400 91.9006 -41.1032 145.605 -76.7926 66.179 72.4114 151.901 85.283 -88.3321 PRESSAVG: 1036400 6.61703 16.9663 19.7433 16.9664 -45.5123 -25.2723 19.7433 -25.2722 46.4012 GPRESSAVG: 1036400 7.28095 16.115 18.3838 16.5806 -44.6706 -24.9713 19.3483 -26.0816 45.1491 TIMING: 1036400 CPU: 3009.87, 0.00297555/step Wall: 3009.87, 0.00297555/step, 3.27608 hours remaining, 203.937500 MB of memory in use. ENERGY: 1036400 735.5058 2126.9942 1986.5443 116.8048 -206128.5551 17871.1993 0.0000 0.0000 34077.7083 -149213.7984 297.6091 -183291.5067 -149117.2505 299.1837 -8.0722 23.2492 557803.4800 2.5020 2.5865 PRESSURE: 1036600 -117.009 -82.3585 47.5245 -82.3592 251.708 54.3475 47.5241 54.3485 33.1032 GPRESSURE: 1036600 -70.526 -58.6277 -29.0742 -75.8663 274.826 44.08 38.275 8.93227 80.6214 PRESSAVG: 1036600 -18.9196 -11.5583 15.5651 -11.5584 24.3214 -1.73484 15.5651 -1.73485 45.0873 GPRESSAVG: 1036600 -19.6261 -9.90326 15.3488 -14.3205 24.2944 -0.545659 16.7817 -3.90415 46.71 TIMING: 1036600 CPU: 3010.46, 0.00293195/step Wall: 3010.46, 0.00293195/step, 3.22791 hours remaining, 203.937500 MB of memory in use. ENERGY: 1036600 724.1559 2116.3363 1976.5508 127.1404 -206715.9591 17925.0323 0.0000 0.0000 34631.7195 -149215.0239 302.4474 -183846.7434 -149122.3329 299.8813 55.9341 94.9739 555591.7875 16.8297 17.1261 PRESSURE: 1036800 154.706 41.6763 4.91712 41.6757 -66.8494 -56.7674 4.9171 -56.7696 211.83 GPRESSURE: 1036800 193.709 33.0986 -27.2396 23.512 -27.6729 -101.307 -18.313 -24.3637 223.379 PRESSAVG: 1036800 19.2762 42.5696 40.7595 42.5695 13.9797 -63.9838 40.7595 -63.9838 -10.4825 GPRESSAVG: 1036800 20.7168 43.704 42.0369 43.4983 14.3847 -65.0984 40.1207 -62.2798 -12.7438 TIMING: 1036800 CPU: 3011.04, 0.00292178/step Wall: 3011.04, 0.00292178/step, 3.21656 hours remaining, 204.136719 MB of memory in use. ENERGY: 1036800 752.4455 2094.6939 1990.0056 113.6346 -206360.8187 17943.3660 0.0000 0.0000 34244.3193 -149222.3539 299.0642 -183466.6732 -149131.8005 299.5027 99.8956 129.8048 557641.9371 7.5911 7.4526 PRESSURE: 1037000 -147.088 68.1106 32.1873 68.11 -217.192 -96.9585 32.1881 -96.9599 -148.929 GPRESSURE: 1037000 -76.1448 139.203 -10.2829 -25.2705 -238.704 -66.5131 110.792 -100.492 -99.0609 PRESSAVG: 1037000 -71.6322 36.3249 29.0411 36.325 -59.2334 -50.8795 29.0411 -50.8796 107.962 GPRESSAVG: 1037000 -73.111 37.4277 28.178 35.4485 -59.0445 -49.9274 28.4262 -49.3142 108.74 TIMING: 1037000 CPU: 3011.63, 0.00294251/step Wall: 3011.63, 0.00294251/step, 3.23921 hours remaining, 204.136719 MB of memory in use. ENERGY: 1037000 737.0699 2083.2741 1969.2242 119.4009 -205879.5916 17552.1684 0.0000 0.0000 34261.2519 -149157.2022 299.2120 -183418.4541 -149053.5080 299.5735 -171.0698 -137.9699 559791.2120 -7.6344 -7.8051 PRESSURE: 1037200 67.5881 381.721 -72.0738 381.722 68.0113 48.0978 -72.0739 48.0968 219.653 GPRESSURE: 1037200 82.1579 276.685 -71.5487 382.523 53.0717 49.9025 -49.4051 93.9511 315.491 PRESSAVG: 1037200 8.77928 44.4639 -30.9065 44.4638 -8.91614 10.7229 -30.9064 10.7229 14.462 GPRESSAVG: 1037200 9.14167 42.9854 -32.1937 43.9152 -8.91272 8.98529 -29.7136 10.103 14.6766 TIMING: 1037200 CPU: 3012.22, 0.002962/step Wall: 3012.22, 0.002962/step, 3.26051 hours remaining, 204.136719 MB of memory in use. ENERGY: 1037200 731.0743 2099.8656 1963.0342 107.9199 -206121.0218 17850.6576 0.0000 0.0000 34214.7631 -149153.7070 298.8060 -183368.4701 -149057.9770 299.1813 118.4174 150.2403 557689.9845 4.7750 4.9685 PRESSURE: 1037400 -49.0693 97.4443 -37.3386 97.4452 -30.8059 80.8722 -37.3396 80.8707 180.362 GPRESSURE: 1037400 49.4642 57.0211 -14.4397 112.679 -35.9364 129.485 5.28529 39.9673 179.876 PRESSAVG: 1037400 -7.63092 1.15982 -21.0972 1.15987 -62.2272 -8.06858 -21.0973 -8.06864 -4.87661 GPRESSAVG: 1037400 -7.14026 1.74539 -18.4626 0.998338 -63.2242 -9.93776 -21.6917 -6.07918 -4.35433 TIMING: 1037400 CPU: 3012.82, 0.0029565/step Wall: 3012.82, 0.0029565/step, 3.25429 hours remaining, 204.136719 MB of memory in use. ENERGY: 1037400 754.8797 2071.7695 2004.9431 119.0888 -206053.5196 17696.1896 0.0000 0.0000 34368.7256 -149037.9233 300.1506 -183406.6489 -148940.0691 299.7815 33.4956 64.4678 557071.8601 -24.9116 -24.9063 PRESSURE: 1037600 24.3583 -12.5176 -197.61 -12.5184 -155.089 -95.4839 -197.61 -95.4848 11.9296 GPRESSURE: 1037600 66.1633 -21.3607 -173.959 23.9582 -120.321 -120.895 -205.523 -107.302 20.7507 PRESSAVG: 1037600 -25.6883 16.7827 -22.5648 16.7827 39.2288 55.3139 -22.5648 55.3139 -11.5293 GPRESSAVG: 1037600 -25.6108 14.3447 -23.4406 17.8945 40.383 55.7733 -22.3645 54.7052 -12.4427 TIMING: 1037600 CPU: 3013.4, 0.00290675/step Wall: 3013.4, 0.00290675/step, 3.19936 hours remaining, 204.136719 MB of memory in use. ENERGY: 1037600 720.4016 2097.8862 1980.3279 121.3110 -205853.0062 17651.9816 0.0000 0.0000 34207.4922 -149073.6057 298.7425 -183281.0979 -148980.4105 299.9484 -39.6004 -11.1357 558569.4867 0.6704 0.7765 PRESSURE: 1037800 96.7181 -22.1282 69.6807 -22.1292 20.6494 -131.984 69.6802 -131.982 -40.3551 GPRESSURE: 1037800 96.6394 -21.4864 113.986 -40.6686 27.6806 -169.447 2.4944 -149.809 52.249 PRESSAVG: 1037800 -35.0955 37.698 37.9001 37.698 48.1232 -23.8986 37.9002 -23.8987 6.13231 GPRESSAVG: 1037800 -35.2767 41.4362 37.3141 37.6977 48.0298 -24.464 38.1228 -24.6314 6.42361 TIMING: 1037800 CPU: 3013.99, 0.00294324/step Wall: 3013.99, 0.00294324/step, 3.23937 hours remaining, 204.136719 MB of memory in use. ENERGY: 1037800 757.4948 2116.9369 2006.1192 111.5754 -205976.4207 17861.5714 0.0000 0.0000 34317.1214 -148805.6016 299.7000 -183122.7230 -148708.1231 299.7063 25.6708 58.8564 557293.3170 6.3867 6.3922 PRESSURE: 1038000 99.2988 -53.0851 -292.75 -53.0855 -347.852 -74.2014 -292.752 -74.2012 50.157 GPRESSURE: 1038000 113.912 -42.8529 -255.034 -64.7543 -266.466 -9.81411 -361.724 -160.545 40.0251 PRESSAVG: 1038000 -6.92598 14.129 24.2769 14.1289 -11.1709 -2.01538 24.2769 -2.01541 8.49626 GPRESSAVG: 1038000 -5.9486 13.0151 23.7697 14.6595 -11.1177 0.685753 23.7902 -4.34851 7.50131 TIMING: 1038000 CPU: 3014.57, 0.00294132/step Wall: 3014.57, 0.00294132/step, 3.23708 hours remaining, 204.136719 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: 1038000 745.1895 2031.2203 1999.0963 125.9527 -205918.4884 17758.3714 0.0000 0.0000 34160.4934 -149098.1648 298.3321 -183258.6581 -149005.4897 299.5304 -66.1319 -37.5094 557253.1567 -3.2002 -3.1883 PRESSURE: 1038200 -271.739 -57.1107 -33.1532 -57.1119 -208.043 80.5786 -33.153 80.5806 -284.238 GPRESSURE: 1038200 -191.393 -89.2137 -70.3524 -110.307 -201.664 75.7469 26.6174 115.194 -273.134 PRESSAVG: 1038200 43.9718 -41.8894 -16.5898 -41.8894 -38.2983 -44.9309 -16.5899 -44.9309 -14.0219 GPRESSAVG: 1038200 43.7751 -44.4398 -16.289 -42.0852 -39.3334 -44.3738 -17.2848 -43.4159 -13.252 TIMING: 1038200 CPU: 3015.16, 0.00293314/step Wall: 3015.16, 0.00293314/step, 3.22792 hours remaining, 204.136719 MB of memory in use. ENERGY: 1038200 755.9253 2098.7710 1976.3996 114.8744 -205841.4398 17436.5521 0.0000 0.0000 34350.8897 -149108.0277 299.9949 -183458.9174 -149011.3988 299.6825 -254.6732 -222.0634 557427.3015 -2.7828 -2.9367 PRESSURE: 1038400 -208.22 64.796 38.8356 64.7975 -249.705 -16.1764 38.8362 -16.1772 -376.434 GPRESSURE: 1038400 -177.173 42.0518 109.504 58.1491 -195.013 40.4423 24.4954 -129.678 -357.27 PRESSAVG: 1038400 3.87085 -3.1541 -22.869 -3.15422 -21.4128 45.9191 -22.869 45.9192 26.0724 GPRESSAVG: 1038400 3.1751 -0.350649 -22.9242 -3.88382 -20.4924 44.7142 -22.8124 45.4004 25.672 TIMING: 1038400 CPU: 3015.74, 0.00291852/step Wall: 3015.74, 0.00291852/step, 3.21166 hours remaining, 204.136719 MB of memory in use. ENERGY: 1038400 748.1790 2052.9061 1972.6628 110.0407 -205929.3438 17538.2410 0.0000 0.0000 34442.7270 -149064.5870 300.7969 -183507.3140 -148964.4921 300.2054 -278.1195 -243.1518 559046.3731 2.8435 2.7849 PRESSURE: 1038600 -202.154 159.777 -95.1373 159.776 -64.8894 2.7689 -95.1363 2.77025 -216.379 GPRESSURE: 1038600 -178.238 106.644 -39.7004 154.822 -67.0445 43.2938 -94.1251 -44.8454 -155.252 PRESSAVG: 1038600 6.89158 26.0578 -20.0723 26.0578 -67.6573 6.01076 -20.0723 6.01087 54.5468 GPRESSAVG: 1038600 7.77214 25.0301 -19.1462 26.9515 -68.3039 4.61347 -20.2342 8.19276 54.1327 TIMING: 1038600 CPU: 3016.33, 0.00291218/step Wall: 3016.33, 0.00291218/step, 3.20453 hours remaining, 204.136719 MB of memory in use. ENERGY: 1038600 722.9346 2078.2086 1947.8478 111.1827 -205913.4137 17581.5222 0.0000 0.0000 34244.6122 -149227.1056 299.0667 -183471.7178 -149132.8681 299.3008 -161.1407 -133.5117 558546.3053 -2.0730 -2.1330 PRESSURE: 1038800 241.103 -27.2257 -28.8826 -27.2249 -238.464 10.4173 -28.8824 10.4177 -222.343 GPRESSURE: 1038800 261.208 9.30923 -34.9341 -41.6608 -176.941 -56.795 -64.9725 80.8415 -212.053 PRESSAVG: 1038800 5.02134 -20.4823 13.0451 -20.4822 20.0851 -15.11 13.0452 -15.11 -19.1998 GPRESSAVG: 1038800 4.20984 -20.0932 14.2626 -19.5622 19.2185 -14.1536 11.3617 -17.5797 -17.7882 TIMING: 1038800 CPU: 3016.91, 0.00289954/step Wall: 3016.91, 0.00289954/step, 3.19046 hours remaining, 204.136719 MB of memory in use. ENERGY: 1038800 751.9003 2071.3929 1971.2178 113.6522 -206246.4659 17816.6269 0.0000 0.0000 34293.7004 -149227.9754 299.4954 -183521.6758 -149137.0351 299.6700 -73.2349 -42.5956 557523.0765 1.9689 1.8800 PRESSURE: 1039000 175.759 -53.0758 13.6738 -53.0763 71.8332 101.713 13.6742 101.711 -32.012 GPRESSURE: 1039000 199.019 -137.961 -7.22438 47.2031 74.9345 73.3738 -6.04124 117.876 29.5624 PRESSAVG: 1039000 28.3488 72.0214 25.0027 72.0214 7.65753 0.804185 25.0027 0.804144 -42.9142 GPRESSAVG: 1039000 28.6931 72.7612 23.3076 70.0482 8.54431 1.95218 26.1978 -0.79221 -44.5256 TIMING: 1039000 CPU: 3017.49, 0.00289499/step Wall: 3017.49, 0.00289499/step, 3.18529 hours remaining, 204.136719 MB of memory in use. ENERGY: 1039000 767.8201 2059.6639 1980.2354 112.2645 -206307.0566 17969.4893 0.0000 0.0000 34144.8357 -149272.7477 298.1953 -183417.5834 -149174.7037 298.7456 71.8602 101.1721 556984.7999 -2.3026 -2.4294 PRESSURE: 1039200 42.747 -53.6101 72.8869 -53.6107 -214.318 132.319 72.8862 132.318 188.358 GPRESSURE: 1039200 77.5746 -116.95 77.0229 -52.9041 -175.157 226.023 130.937 47.2142 206.479 PRESSAVG: 1039200 20.516 -20.564 12.82 -20.5639 -24.3187 0.978683 12.8199 0.978655 9.71814 GPRESSAVG: 1039200 19.5625 -23.0366 12.2279 -19.0506 -23.212 0.845676 13.8023 4.10497 10.043 TIMING: 1039200 CPU: 3018.07, 0.00290774/step Wall: 3018.07, 0.00290774/step, 3.19916 hours remaining, 204.136719 MB of memory in use. ENERGY: 1039200 738.4683 2107.8109 1987.3691 119.9048 -206147.6070 17816.1056 0.0000 0.0000 34107.2402 -149270.7080 297.8670 -183377.9482 -149171.7313 299.0769 5.5956 36.2989 556964.3282 1.9718 2.1312 PRESSURE: 1039400 -387.257 -83.7018 -51.4693 -83.7027 -157.876 -116.83 -51.4688 -116.832 -33.6806 GPRESSURE: 1039400 -333.887 -169.385 -18.6354 -48.1186 -170.911 -106.127 -29.51 -142.942 17.5549 PRESSAVG: 1039400 16.762 -38.1514 6.83344 -38.1514 -70.2852 4.43088 6.83345 4.43076 5.24657 GPRESSAVG: 1039400 18.2948 -37.4334 7.36342 -37.8567 -71.3184 3.17725 7.70869 6.47746 4.70398 TIMING: 1039400 CPU: 3018.65, 0.00290245/step Wall: 3018.65, 0.00290245/step, 3.19318 hours remaining, 204.203125 MB of memory in use. ENERGY: 1039400 758.3025 2008.6439 2003.2034 118.8943 -205828.4982 17459.7690 0.0000 0.0000 34275.6139 -149204.0711 299.3375 -183479.6850 -149109.3495 298.8675 -192.9378 -162.4142 557161.3824 -16.0922 -16.1065 PRESSURE: 1039600 258.141 102.199 10.4735 102.199 295.559 0.419526 10.4743 0.42088 27.8638 GPRESSURE: 1039600 324.037 12.3219 71.5606 105.86 308.842 -29.8711 -28.2662 33.0454 53.3937 PRESSAVG: 1039600 2.24801 10.5062 -38.6638 10.5062 5.14783 30.9037 -38.6637 30.9038 36.0286 GPRESSAVG: 1039600 1.3047 10.5196 -39.1937 8.90194 5.53539 30.6695 -37.6292 29.7745 36.6392 TIMING: 1039600 CPU: 3019.23, 0.0029001/step Wall: 3019.23, 0.0029001/step, 3.19044 hours remaining, 204.203125 MB of memory in use. ENERGY: 1039600 763.0353 2103.4145 1972.8233 115.4690 -206448.8301 18137.8486 0.0000 0.0000 34100.9709 -149255.2685 297.8123 -183356.2395 -149157.5556 299.1933 193.8548 228.7578 556697.7755 14.4748 14.4931 PRESSURE: 1039800 150.658 -112.894 95.8202 -112.894 105.999 117.683 95.82 117.683 68.818 GPRESSURE: 1039800 168.677 -43.9098 61.1608 -130.226 132.038 75.1202 62.7486 131.337 118.743 PRESSAVG: 1039800 27.0313 3.62673 -26.0101 3.62678 61.7881 26.4004 -26.01 26.4004 -80.0666 GPRESSAVG: 1039800 27.871 4.20373 -25.9268 5.71495 62.547 27.4715 -27.1847 26.8075 -81.2324 TIMING: 1039800 CPU: 3019.81, 0.00292925/step Wall: 3019.81, 0.00292925/step, 3.22233 hours remaining, 204.203125 MB of memory in use. ENERGY: 1039800 708.7837 2098.9429 1952.3474 108.6756 -206214.8874 17807.0584 0.0000 0.0000 34288.4179 -149250.6614 299.4493 -183539.0794 -149148.8909 299.2457 108.4917 139.8193 556585.1084 2.9176 3.0619 PRESSURE: 1040000 -45.3671 25.7862 133.117 25.7866 40.3229 21.0973 133.116 21.0972 -355.981 GPRESSURE: 1040000 -51.7832 1.73335 60.152 -0.378505 121.287 39.8702 171.906 50.9808 -343.555 PRESSAVG: 1040000 29.646 -25.5873 -20.6445 -25.5873 -20.4639 31.6215 -20.6446 31.6215 15.351 GPRESSAVG: 1040000 30.0583 -25.6163 -20.3241 -28.1321 -21.0571 32.5191 -19.8074 30.2543 15.6755 TIMING: 1040000 CPU: 3020.4, 0.00291342/step Wall: 3020.4, 0.00291342/step, 3.20477 hours remaining, 204.203125 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: 1040000 750.4214 2076.4006 1974.0729 116.2501 -205702.6627 17580.7479 0.0000 0.0000 34108.8514 -149095.9184 297.8811 -183204.7698 -148995.2895 298.6764 -120.3417 -91.3502 557888.1866 8.1777 8.2256 PRESSURE: 1040200 131.98 39.0748 -46.8044 39.0767 21.3255 -15.9498 -46.804 -15.9503 -35.579 GPRESSURE: 1040200 149.985 28.5837 -36.6688 4.31234 126.708 -22.1971 11.9125 -39.9223 -55.1 PRESSAVG: 1040200 28.9402 -33.9817 22.7614 -33.9818 30.7025 -29.7156 22.7614 -29.7157 -27.8359 GPRESSAVG: 1040200 29.3134 -35.3477 21.928 -32.3681 31.2409 -32.1766 21.9051 -29.9413 -28.7098 TIMING: 1040200 CPU: 3020.98, 0.0029082/step Wall: 3020.98, 0.00290821/step, 3.19886 hours remaining, 204.203125 MB of memory in use. ENERGY: 1040200 744.1741 2084.8940 1969.9268 123.3425 -206092.3083 17824.7580 0.0000 0.0000 34359.0394 -148986.1736 300.0660 -183345.2130 -148885.5705 299.3883 39.2421 73.8642 556314.5648 10.6023 10.6148 LDB: ============= START OF LOAD BALANCING ============== 3024.44 LDB: ============== END OF LOAD BALANCING =============== 3024.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3024.45 LDB: ============= START OF LOAD BALANCING ============== 3024.74 LDB: Largest compute 4820 load 0.028376 is 24.1% of average load 0.117723 LDB: Average compute 0.001744 is 1.5% of average load 0.117723 LDB: TIME 3024.74 LOAD: AVG 0.117723 MAX 0.178044 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.285 MB LDB: TIME 3024.74 LOAD: AVG 0.117723 MAX 0.178044 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.324 MB LDB: TIME 3024.74 LOAD: AVG 0.117723 MAX 0.178044 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3024.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3024.75 PRESSURE: 1040400 43.4928 -61.6443 -35.9241 -61.6453 41.2067 -72.0404 -35.9251 -72.0401 264.076 GPRESSURE: 1040400 124.125 48.3225 -21.9671 -110.595 80.858 -32.7435 -50.2896 -51.9898 243.901 PRESSAVG: 1040400 -11.0333 -2.4532 -35.7144 -2.45319 28.1285 -47.66 -35.7144 -47.6599 1.21015 GPRESSAVG: 1040400 -11.4261 -1.40286 -34.1547 -2.86755 28.0552 -46.1885 -35.3349 -47.5558 2.14503 TIMING: 1040400 CPU: 3021.57, 0.00295792/step Wall: 3021.57, 0.00295792/step, 3.25338 hours remaining, 205.156250 MB of memory in use. ENERGY: 1040400 754.1101 2094.0560 1972.4903 116.8718 -206344.0411 17931.2497 0.0000 0.0000 34253.1315 -149222.1317 299.1411 -183475.2632 -149129.0569 299.4599 116.2586 149.6278 556885.6249 6.1018 6.2581 PRESSURE: 1040600 31.9294 29.1368 311.079 29.1361 55.6925 -108.005 311.078 -108.004 -48.0237 GPRESSURE: 1040600 51.0053 -22.3407 309.567 45.0049 44.2034 -146.484 288.057 -86.8055 30.5405 PRESSAVG: 1040600 -64.0544 -5.68953 17.2604 -5.68948 62.6988 37.2056 17.2603 37.2056 -7.83229 GPRESSAVG: 1040600 -63.8011 -5.48866 15.6021 -6.53356 62.4504 34.9345 18.991 37.2559 -7.31273 TIMING: 1040600 CPU: 3022.15, 0.00290958/step Wall: 3022.15, 0.00290958/step, 3.20005 hours remaining, 205.414062 MB of memory in use. ENERGY: 1040600 740.2461 2052.7395 1987.6067 105.9808 -206000.4868 17818.7998 0.0000 0.0000 34033.0065 -149262.1074 297.2187 -183295.1139 -149164.7213 298.7812 13.1994 41.9164 558232.0200 -3.0626 -2.8878 PRESSURE: 1040800 -166.964 126.87 26.3117 126.872 63.8418 -85.5248 26.3112 -85.5268 53.3265 GPRESSURE: 1040800 -61.1089 69.6893 126.816 250.391 7.77801 -15.4169 -72.8535 -119.608 88.3915 PRESSAVG: 1040800 -45.0034 -28.6571 -65.9719 -28.6571 53.7929 -39.092 -65.972 -39.0918 27.4625 GPRESSAVG: 1040800 -46.3406 -28.7132 -64.5209 -28.6541 55.3085 -36.8814 -68.9694 -39.4692 27.9371 TIMING: 1040800 CPU: 3022.74, 0.00292202/step Wall: 3022.74, 0.00292202/step, 3.21357 hours remaining, 205.683594 MB of memory in use. ENERGY: 1040800 743.4560 2144.9817 1947.2592 118.3485 -206014.1165 17720.6047 0.0000 0.0000 34117.1871 -149222.2792 297.9539 -183339.4663 -149129.7255 298.7788 -16.5987 11.6869 556987.7284 12.0840 12.3017 PRESSURE: 1041000 274.068 58.7249 -114.308 58.7252 71.1003 -140.994 -114.309 -140.991 -230.291 GPRESSURE: 1041000 280.99 47.9332 4.38101 89.5116 114.724 -194.858 -184.342 -144.78 -179.735 PRESSAVG: 1041000 -11.7792 -21.0356 -16.1127 -21.0357 -12.4277 -58.0232 -16.1126 -58.0231 -2.28938 GPRESSAVG: 1041000 -10.4997 -21.7673 -17.1489 -19.6241 -13.6604 -60.4156 -15.4893 -56.7754 -2.41141 TIMING: 1041000 CPU: 3023.32, 0.00293682/step Wall: 3023.32, 0.00293682/step, 3.22969 hours remaining, 205.683594 MB of memory in use. ENERGY: 1041000 764.6015 2090.3579 1958.4515 110.2116 -206262.4217 17839.6064 0.0000 0.0000 34236.9808 -149262.2121 299.0001 -183499.1929 -149171.1891 298.4871 38.2924 71.9928 557123.7314 -8.8321 -8.8572 PRESSURE: 1041200 -76.9632 1.85089 -9.56896 1.85052 84.3839 -27.0087 -9.56827 -27.0074 -74.2561 GPRESSURE: 1041200 -71.968 5.69209 13.1375 -11.1394 168.068 -40.8807 -79.3955 47.2163 -61.6652 PRESSAVG: 1041200 -27.5425 -10.6938 -55.6217 -10.6937 55.9712 -71.4963 -55.6217 -71.4964 -19.1809 GPRESSAVG: 1041200 -26.8374 -9.87696 -53.5607 -12.1291 55.2371 -71.2852 -56.1096 -71.1501 -19.2561 TIMING: 1041200 CPU: 3023.9, 0.00289725/step Wall: 3023.9, 0.00289725/step, 3.18601 hours remaining, 205.683594 MB of memory in use. ENERGY: 1041200 782.0312 2069.2673 1967.1753 122.9707 -206373.8528 17905.3541 0.0000 0.0000 34256.1105 -149270.9438 299.1671 -183527.0543 -149174.1505 299.1933 -22.2785 11.4783 557123.9382 3.0826 3.0479 PRESSURE: 1041400 -355.399 -92.9118 -73.0251 -92.9121 -35.5102 -78.6326 -73.0252 -78.6322 179.378 GPRESSURE: 1041400 -290.727 -16.5492 -84.18 -214.198 -21.056 -130.529 -66.9001 0.339048 207.955 PRESSAVG: 1041400 -41.2054 19.6672 5.12526 19.6673 8.62596 -32.9425 5.12524 -32.9425 45.4701 GPRESSAVG: 1041400 -42.1149 22.0643 2.7814 19.6172 9.71865 -30.7591 5.34789 -34.6718 45.3328 TIMING: 1041400 CPU: 3024.49, 0.00291291/step Wall: 3024.49, 0.00291291/step, 3.20306 hours remaining, 205.683594 MB of memory in use. ENERGY: 1041400 737.6619 2052.3419 1972.5896 115.6955 -206245.1033 17755.5864 0.0000 0.0000 34283.0025 -149328.2255 299.4020 -183611.2280 -149227.4094 299.0958 -70.5104 -34.6096 558883.8615 4.2969 4.3122 PRESSURE: 1041600 -65.7266 128.487 85.4383 128.486 -139.356 -2.13857 85.4381 -2.13992 -258.88 GPRESSURE: 1041600 -46.9276 174.738 121.603 125.883 -114.735 -30.9994 58.4876 -16.7397 -213.174 PRESSAVG: 1041600 20.9065 -2.62554 -34.1614 -2.62557 -18.91 32.5407 -34.1614 32.5408 38.7349 GPRESSAVG: 1041600 20.9735 -4.39768 -33.1077 -1.36423 -17.8595 31.7151 -33.7686 32.7682 38.0557 TIMING: 1041600 CPU: 3025.06, 0.00289417/step Wall: 3025.06, 0.00289417/step, 3.1823 hours remaining, 205.691406 MB of memory in use. ENERGY: 1041600 750.7821 2048.4067 1946.8147 108.6664 -206260.4044 17877.0091 0.0000 0.0000 34157.5189 -149371.2066 298.3061 -183528.7255 -149273.0962 299.3636 -154.6540 -124.9455 558905.2224 13.5771 13.7232 PRESSURE: 1041800 -118.228 -164.516 -21.7539 -164.516 -109.519 -11.8386 -21.7533 -11.8392 206.581 GPRESSURE: 1041800 -69.9281 -199.349 53.0839 -217.296 -60.2352 -10.0266 -61.5793 5.04707 196.5 PRESSAVG: 1041800 25.3938 12.1411 -22.2898 12.1411 -79.4889 81.9766 -22.2898 81.9766 26.4174 GPRESSAVG: 1041800 25.8402 11.8147 -20.4309 10.6951 -79.2204 83.1756 -22.121 82.2897 26.0503 TIMING: 1041800 CPU: 3025.64, 0.00289589/step Wall: 3025.64, 0.00289589/step, 3.18403 hours remaining, 205.691406 MB of memory in use. ENERGY: 1041800 736.2261 2106.1958 1952.8717 106.6795 -206242.5685 17819.2883 0.0000 0.0000 34130.2057 -149391.1014 298.0676 -183521.3071 -149292.4816 298.7333 -7.0551 22.1121 558478.7968 -9.2259 -9.1100 PRESSURE: 1042000 -202.69 134.675 -2.93306 134.675 -102.752 -264.03 -2.93404 -264.029 56.629 GPRESSURE: 1042000 -180.061 119.479 -27.1571 87.1602 -54.3083 -289.078 -19.1159 -327.672 88.8778 PRESSAVG: 1042000 -68.3189 33.493 -36.7929 33.493 33.2188 -7.29175 -36.7929 -7.29163 39.5039 GPRESSAVG: 1042000 -67.7275 33.8953 -37.6156 35.0891 32.3613 -8.71296 -36.3618 -6.96094 40.3072 TIMING: 1042000 CPU: 3026.23, 0.00291114/step Wall: 3026.23, 0.00291114/step, 3.20064 hours remaining, 205.691406 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: 1042000 761.3024 2104.2817 1996.1266 123.1649 -206221.6554 17739.8571 0.0000 0.0000 34054.4425 -149442.4802 297.4059 -183496.9227 -149345.2609 298.1443 -82.9375 -48.4970 558737.9717 1.4679 1.6470 PRESSURE: 1042200 185.323 -56.1982 90.1499 -56.1992 -191.976 16.9852 90.1492 16.9863 122.747 GPRESSURE: 1042200 196.532 -104.88 175.708 81.4637 -240.071 -1.35417 33.5027 57.9538 247.331 PRESSAVG: 1042200 -28.5554 -11.5981 -17.4542 -11.598 79.8185 -20.6377 -17.4542 -20.6376 9.93622 GPRESSAVG: 1042200 -28.2904 -10.7541 -17.7033 -12.0392 79.8126 -19.7498 -17.2436 -20.0962 9.95681 TIMING: 1042200 CPU: 3026.8, 0.00288854/step Wall: 3026.8, 0.00288854/step, 3.17562 hours remaining, 205.691406 MB of memory in use. ENERGY: 1042200 762.1889 2063.8047 1985.8617 114.0257 -206390.7539 17951.5549 0.0000 0.0000 34107.6603 -149405.6577 297.8707 -183513.3180 -149309.7468 298.1973 38.6979 67.9307 557306.4787 20.3998 20.4930 PRESSURE: 1042400 355.68 -209.873 -125.685 -209.872 113.809 -78.6193 -125.684 -78.6196 48.9779 GPRESSURE: 1042400 362.206 -214.643 -106.751 -210.773 121.365 -147.677 -153.816 -33.6934 124.407 PRESSAVG: 1042400 -69.5168 -21.8392 -4.66174 -21.8392 8.44343 10.0096 -4.66175 10.0096 34.0435 GPRESSAVG: 1042400 -71.0158 -24.8084 -6.37244 -19.4903 9.29449 10.1827 -3.70308 8.24339 34.4942 TIMING: 1042400 CPU: 3027.38, 0.00289869/step Wall: 3027.38, 0.00289869/step, 3.18663 hours remaining, 205.691406 MB of memory in use. ENERGY: 1042400 750.6479 2020.7747 1959.1291 117.1634 -206453.9423 18106.1999 0.0000 0.0000 34217.7979 -149282.2294 298.8325 -183500.0274 -149187.1331 298.3864 172.8222 202.6592 556645.4394 -9.0100 -9.0757 PRESSURE: 1042600 -15.2262 7.05045 -64.0697 7.05068 180.924 179.916 -64.0682 179.916 119 GPRESSURE: 1042600 66.2953 -45.7045 -59.5324 70.1158 218.851 183.621 -28.9051 179.757 89.8799 PRESSAVG: 1042600 95.4838 -10.8847 -56.0436 -10.8848 23.9802 -38.2731 -56.0436 -38.2731 -99.83 GPRESSAVG: 1042600 95.5925 -8.17464 -53.2253 -12.8309 23.8767 -39.208 -56.4977 -37.1447 -99.6518 TIMING: 1042600 CPU: 3027.97, 0.00291956/step Wall: 3027.97, 0.00291956/step, 3.2094 hours remaining, 205.691406 MB of memory in use. ENERGY: 1042600 735.4780 2059.4574 1992.7351 110.7678 -206325.4595 17851.8907 0.0000 0.0000 34336.3560 -149238.7745 299.8679 -183575.1305 -149139.5125 299.1969 94.8995 125.0086 555783.1581 6.5447 6.6058 PRESSURE: 1042800 -228.113 -66.8165 -51.3171 -66.8165 -103.262 -83.9562 -51.317 -83.9559 -456.136 GPRESSURE: 1042800 -197.67 -55.1085 -81.0466 -12.9688 -102.142 -77.4908 26.0477 -12.9171 -405.45 PRESSAVG: 1042800 32.0977 -36.1645 1.88167 -36.1644 -38.3242 -5.71316 1.88166 -5.71328 2.47362 GPRESSAVG: 1042800 32.753 -38.1201 0.373866 -35.9437 -39.6478 -6.69264 0.725432 -6.3684 2.69452 TIMING: 1042800 CPU: 3028.55, 0.00290742/step Wall: 3028.55, 0.00290742/step, 3.1959 hours remaining, 205.691406 MB of memory in use. ENERGY: 1042800 771.6907 2043.4012 1968.3064 97.3728 -205969.2191 17410.0073 0.0000 0.0000 34304.9789 -149373.4616 299.5939 -183678.4406 -149271.1908 299.4877 -262.5038 -235.0872 557191.1812 -1.2510 -1.4001 PRESSURE: 1043000 63.9166 60.8636 -46.4681 60.8632 104.29 32.6138 -46.4676 32.6147 57.5116 GPRESSURE: 1043000 52.6293 98.969 30.0708 166.783 136.681 72.0021 -71.8362 -44.3456 135.917 PRESSAVG: 1043000 49.2472 3.96515 -19.498 3.9651 -40.3091 16.9268 -19.498 16.9268 4.18699 GPRESSAVG: 1043000 48.7486 5.92371 -18.1757 4.21756 -39.2093 16.5898 -19.32 17.4916 3.38684 TIMING: 1043000 CPU: 3029.13, 0.00288219/step Wall: 3029.13, 0.00288219/step, 3.168 hours remaining, 205.691406 MB of memory in use. ENERGY: 1043000 797.9832 2075.5580 1965.2440 120.5213 -206668.8042 18026.2450 0.0000 0.0000 34539.0371 -149144.2157 301.6380 -183683.2528 -149048.1524 299.0911 75.2393 108.4091 554460.5991 4.3750 4.3087 PRESSURE: 1043200 -182.5 53.9332 -21.5867 53.9328 -166.034 125.694 -21.5872 125.693 -102.627 GPRESSURE: 1043200 -148.759 127.399 -84.0357 94.386 -157.054 84.8076 -13.0018 63.5627 -42.5294 PRESSAVG: 1043200 -44.1913 40.7204 -4.75625 40.7204 26.0409 56.6635 -4.75634 56.6634 58.2707 GPRESSAVG: 1043200 -42.6546 39.5434 -4.66105 42.225 24.7547 59.058 -6.99124 54.8917 58.0626 TIMING: 1043200 CPU: 3029.7, 0.00287834/step Wall: 3029.7, 0.00287834/step, 3.16362 hours remaining, 205.691406 MB of memory in use. ENERGY: 1043200 771.9485 2083.8905 1966.0134 107.9406 -206003.5153 17708.9002 0.0000 0.0000 34117.9053 -149246.9170 297.9602 -183364.8223 -149137.9641 299.7214 -150.3870 -116.1140 557480.2757 13.3735 13.3876 PRESSURE: 1043400 260.136 68.7912 147.974 68.7905 92.6097 90.8133 147.974 90.8135 175.459 GPRESSURE: 1043400 285.04 52.8685 97.8518 91.1799 124.835 39.8725 174.15 30.5025 203.452 PRESSAVG: 1043400 -50.0819 10.8854 42.5708 10.8855 68.2469 2.08315 42.5708 2.08329 -39.5008 GPRESSAVG: 1043400 -52.2082 10.7134 41.7049 10.1382 68.5817 2.209 45.758 3.25377 -38.3223 TIMING: 1043400 CPU: 3030.28, 0.00288211/step Wall: 3030.28, 0.00288211/step, 3.1676 hours remaining, 205.691406 MB of memory in use. ENERGY: 1043400 737.6837 2047.3695 1982.5686 139.2164 -206487.8426 18020.0453 0.0000 0.0000 34131.9633 -149428.9957 298.0829 -183560.9590 -149338.0945 299.2869 176.0685 204.4422 556080.1673 -7.1119 -7.3163 PRESSURE: 1043600 -146.332 -140.246 211.801 -140.247 206.159 177.44 211.8 177.441 -48.0028 GPRESSURE: 1043600 -107.654 -70.6536 221.207 -102.783 233.76 151.297 233.917 108.117 -12.5104 PRESSAVG: 1043600 -46.1686 27.5105 -1.6075 27.5106 45.1281 19.0645 -1.60747 19.0645 7.87372 GPRESSAVG: 1043600 -44.4193 27.2249 0.557226 26.7401 44.7229 19.061 -0.506182 19.6093 6.66913 TIMING: 1043600 CPU: 3030.85, 0.00288819/step Wall: 3030.85, 0.00288819/step, 3.17412 hours remaining, 205.691406 MB of memory in use. ENERGY: 1043600 738.6390 2058.7869 1955.9621 117.5111 -205957.7603 17568.6179 0.0000 0.0000 34129.7070 -149388.5363 298.0632 -183518.2433 -149291.6577 298.7848 3.9414 37.8653 556377.9314 2.2777 2.3243 PRESSURE: 1043800 -117.378 -116.123 161.905 -116.123 -0.0630661 76.1874 161.904 76.1846 -127.587 GPRESSURE: 1043800 -61.4187 -90.0046 150.056 -148.229 18.9121 -4.36058 148.547 176.235 -108.235 PRESSAVG: 1043800 15.5132 -72.1499 -30.0836 -72.1498 -0.94636 -17.5378 -30.0835 -17.5378 14.7212 GPRESSAVG: 1043800 14.0529 -71.1125 -31.4053 -71.1504 0.53489 -17.9142 -31.3667 -16.9156 14.6503 TIMING: 1043800 CPU: 3031.43, 0.00288758/step Wall: 3031.43, 0.00288758/step, 3.17329 hours remaining, 205.691406 MB of memory in use. ENERGY: 1043800 767.8676 2028.0240 1967.5246 121.5339 -206174.3262 17795.2418 0.0000 0.0000 34251.7113 -149242.4231 299.1287 -183494.1344 -149139.2893 298.9900 -81.6760 -50.2473 556931.2428 9.7627 9.7460 PRESSURE: 1044000 -98.138 -105.131 -95.2339 -105.132 -50.5252 -45.9686 -95.2345 -45.9696 -105.513 GPRESSURE: 1044000 -129.922 -16.748 -46.3299 -145.209 -26.6887 -70.2394 -232.911 -1.21283 -7.2745 PRESSAVG: 1044000 19.6203 12.4802 -11.8227 12.4802 26.9922 -5.66698 -11.8227 -5.66707 -73.393 GPRESSAVG: 1044000 19.196 11.9525 -12.6056 12.6324 26.7669 -5.35893 -12.1978 -8.19173 -72.5203 TIMING: 1044000 CPU: 3032.01, 0.00289116/step Wall: 3032.01, 0.00289116/step, 3.17706 hours remaining, 205.691406 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: 1044000 681.3484 2087.1659 1956.6061 111.5649 -206211.2508 17739.9305 0.0000 0.0000 34330.7397 -149303.8953 299.8189 -183634.6350 -149212.2654 299.1107 -84.7256 -54.6285 558776.1510 -8.9268 -8.8525 PRESSURE: 1044200 -159.598 14.3097 -55.1045 14.3101 -246.859 40.0576 -55.1044 40.0581 -93.7075 GPRESSURE: 1044200 -152.053 108.53 -3.90984 34.4683 -240.391 33.3807 8.45208 -5.8968 -3.8124 PRESSAVG: 1044200 -77.4036 5.88841 -48.4853 5.88836 44.1369 -7.75298 -48.4853 -7.75285 9.10947 GPRESSAVG: 1044200 -76.95 4.94854 -47.7021 6.61625 44.2752 -9.9341 -47.4509 -6.61872 7.85547 TIMING: 1044200 CPU: 3032.59, 0.00290634/step Wall: 3032.59, 0.00290634/step, 3.19359 hours remaining, 205.691406 MB of memory in use. ENERGY: 1044200 769.6072 2070.2766 1976.4277 113.1407 -206366.5394 17706.6622 0.0000 0.0000 34364.9444 -149365.4806 300.1176 -183730.4250 -149265.5343 299.5041 -166.7213 -132.0853 558212.6860 -8.0524 -8.2731 LDB: ============= START OF LOAD BALANCING ============== 3036.06 LDB: ============== END OF LOAD BALANCING =============== 3036.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3036.06 LDB: ============= START OF LOAD BALANCING ============== 3036.35 LDB: Largest compute 4820 load 0.029291 is 24.9% of average load 0.117612 LDB: Average compute 0.001749 is 1.5% of average load 0.117612 LDB: TIME 3036.35 LOAD: AVG 0.117612 MAX 0.178873 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.102 MB LDB: TIME 3036.35 LOAD: AVG 0.117612 MAX 0.178873 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: TIME 3036.35 LOAD: AVG 0.117612 MAX 0.178873 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3036.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3036.36 PRESSURE: 1044400 29.8775 123.725 -93.2792 123.725 7.63454 23.0542 -93.2792 23.053 -63.7098 GPRESSURE: 1044400 38.7015 143.198 -18.9698 166.838 39.4418 38.8098 -121.039 -80.6393 -19.7636 PRESSAVG: 1044400 58.3391 -13.2598 10.5304 -13.2598 -25.1152 21.5251 10.5305 21.5252 -54.5574 GPRESSAVG: 1044400 57.3548 -11.4994 11.0324 -15.7109 -24.9375 23.5205 10.2393 21.2692 -53.2873 TIMING: 1044400 CPU: 3033.18, 0.00296058/step Wall: 3033.18, 0.00296058/step, 3.25302 hours remaining, 205.218750 MB of memory in use. ENERGY: 1044400 763.7335 2061.3678 1968.0501 115.7864 -206241.3519 17883.6256 0.0000 0.0000 34225.0352 -149223.7532 298.8957 -183448.7884 -149131.3318 298.7547 -8.7326 19.4599 557883.3369 -7.1112 -6.9567 PRESSURE: 1044600 -310.95 85.6696 41.8674 85.6705 -34.3849 175.679 41.8664 175.678 140.908 GPRESSURE: 1044600 -235.834 64.0421 51.5169 123.594 2.59382 208.559 29.6004 149.039 125.967 PRESSAVG: 1044600 47.689 7.5795 18.9576 7.5796 -19.288 -32.9244 18.9577 -32.9244 -31.3731 GPRESSAVG: 1044600 48.3646 6.33668 18.0204 8.41663 -19.4424 -33.6049 17.2446 -34.1672 -31.892 TIMING: 1044600 CPU: 3033.76, 0.00290011/step Wall: 3033.76, 0.00290011/step, 3.18641 hours remaining, 205.328125 MB of memory in use. ENERGY: 1044600 763.8461 2127.9418 1991.0269 114.0157 -206294.6059 17756.5524 0.0000 0.0000 34409.7778 -149131.4452 300.5091 -183541.2231 -149035.2272 299.1819 -68.1422 -35.7580 558598.5380 -0.9907 -0.9899 PRESSURE: 1044800 -422.645 -25.3358 -37.3532 -25.3376 -197.92 -112.598 -37.3517 -112.598 -175.59 GPRESSURE: 1044800 -367.078 -11.8852 -75.5154 -54.7656 -221.245 -141.439 46.0302 -126.295 -122.196 PRESSAVG: 1044800 -0.505784 19.6595 -9.09895 19.6595 14.4233 -31.5781 -9.09899 -31.5782 2.52333 GPRESSAVG: 1044800 0.498114 19.1093 -10.2745 20.8642 14.4161 -29.7659 -9.5794 -30.16 0.832922 TIMING: 1044800 CPU: 3034.34, 0.00290533/step Wall: 3034.34, 0.00290533/step, 3.19198 hours remaining, 205.328125 MB of memory in use. ENERGY: 1044800 791.9434 2140.8783 1970.8616 116.2110 -206096.6614 17617.6360 0.0000 0.0000 34330.9032 -149128.2279 299.8203 -183459.1311 -149034.9193 299.5470 -265.3850 -236.8398 557956.9400 5.4803 5.2490 PRESSURE: 1045000 96.3205 99.5035 -88.4425 99.5022 104.03 -83.5296 -88.4415 -83.5301 -379.219 GPRESSURE: 1045000 134.316 139.997 -67.6919 65.4763 123.579 -118.056 -36.9424 -59.0374 -341.777 PRESSAVG: 1045000 9.98519 30.8892 -20.8016 30.8892 30.3283 -47.256 -20.8016 -47.256 -34.3415 GPRESSAVG: 1045000 8.71665 30.1469 -18.5501 30.3 30.7507 -49.8461 -21.3075 -45.603 -33.3618 TIMING: 1045000 CPU: 3034.92, 0.00288325/step Wall: 3034.92, 0.00288325/step, 3.16757 hours remaining, 205.328125 MB of memory in use. ENERGY: 1045000 750.2255 2150.2544 1977.8392 105.6362 -206253.7146 17716.8673 0.0000 0.0000 34377.0353 -149175.8567 300.2232 -183552.8920 -149076.1107 299.5506 -59.6228 -27.9609 556691.1627 1.9906 2.0352 PRESSURE: 1045200 -146.128 169.332 75.7554 169.333 -105.508 62.0457 75.7552 62.0455 -96.2383 GPRESSURE: 1045200 -124.114 144.991 -9.53332 135.017 -99.0196 -15.038 129.285 156.178 -40.163 PRESSAVG: 1045200 -19.0574 -6.21418 -13.1579 -6.21402 5.2784 62.2787 -13.1579 62.2787 -67.8873 GPRESSAVG: 1045200 -18.9894 -4.52595 -15.0091 -8.55727 4.95737 63.1089 -10.6485 60.214 -67.3727 TIMING: 1045200 CPU: 3035.51, 0.002919/step Wall: 3035.51, 0.002919/step, 3.20669 hours remaining, 205.328125 MB of memory in use. ENERGY: 1045200 737.7063 2052.3899 1970.9637 110.5772 -206184.2655 17702.8212 0.0000 0.0000 34441.2637 -149168.5435 300.7841 -183609.8072 -149071.4014 299.5623 -115.9581 -87.7655 557857.7763 -27.2221 -27.1349 PRESSURE: 1045400 35.8374 -91.4059 136.572 -91.4057 63.2483 5.65833 136.573 5.65675 -94.4208 GPRESSURE: 1045400 72.8971 16.0436 105.149 -81.6479 104.372 -50.1197 138.881 79.8487 -74.7267 PRESSAVG: 1045400 98.0165 36.231 50.5563 36.231 19.0432 -34.8706 50.5563 -34.8705 -88.7688 GPRESSAVG: 1045400 98.3706 34.9514 50.9232 38.8821 18.236 -35.395 48.928 -32.8806 -88.1205 TIMING: 1045400 CPU: 3036.09, 0.0029099/step Wall: 3036.09, 0.0029099/step, 3.19653 hours remaining, 205.328125 MB of memory in use. ENERGY: 1045400 736.3903 2066.1638 1963.2848 114.6393 -206069.6700 17940.9563 0.0000 0.0000 34206.5625 -149041.6731 298.7344 -183248.2355 -148949.0629 299.8254 1.5550 34.1808 558649.3040 9.4303 9.4954 PRESSURE: 1045600 133.551 -90.1405 112.57 -90.1411 461.565 -136.321 112.571 -136.321 104.584 GPRESSURE: 1045600 214.825 -97.1014 216.412 -39.7678 437.549 -174.526 38.4721 -203.057 126.474 PRESSAVG: 1045600 -12.6787 22.6077 18.0438 22.6076 46.8983 -33.365 18.0439 -33.3651 -45.0249 GPRESSAVG: 1045600 -12.0218 20.628 17.42 23.0839 47.1792 -31.0201 18.1716 -35.6296 -45.5697 TIMING: 1045600 CPU: 3036.66, 0.00288017/step Wall: 3036.66, 0.00288017/step, 3.16371 hours remaining, 205.328125 MB of memory in use. ENERGY: 1045600 746.9946 2040.6488 1979.7276 120.0360 -207020.8895 18480.9636 0.0000 0.0000 34510.0299 -149142.4892 301.3847 -183652.5190 -149042.4599 299.1607 233.2336 259.6162 557054.9294 -3.6018 -3.4707 PRESSURE: 1045800 164.822 -220.17 -108.586 -220.171 220.325 24.6204 -108.588 24.6228 230.637 GPRESSURE: 1045800 164.847 -245.499 -121.807 -269.554 258.223 -21.9639 -123.321 96.2622 293.195 PRESSAVG: 1045800 -18.0095 -61.2182 -37.3565 -61.2182 34.0765 16.9173 -37.3565 16.9172 -31.5449 GPRESSAVG: 1045800 -20.4547 -61.6366 -38.1885 -61.796 35.3159 15.0316 -38.0342 17.4748 -30.4204 TIMING: 1045800 CPU: 3037.25, 0.00293451/step Wall: 3037.25, 0.00293451/step, 3.22324 hours remaining, 205.328125 MB of memory in use. ENERGY: 1045800 756.9098 2059.6980 1965.0122 107.3397 -206543.7698 18293.8840 0.0000 0.0000 34098.8948 -149262.0313 297.7941 -183360.9261 -149166.3394 299.2285 205.2616 238.7550 559115.9637 -5.1593 -5.1864 PRESSURE: 1046000 -83.2151 -136.787 134.085 -136.788 -202.712 29.7408 134.084 29.7412 -452.117 GPRESSURE: 1046000 -59.7411 -165.131 98.9453 -125.894 -197.529 24.568 105.812 -36.8867 -372.718 PRESSAVG: 1046000 33.474 33.2989 -36.6624 33.2989 -11.1828 -20.7646 -36.6623 -20.7646 -48.0438 GPRESSAVG: 1046000 33.9488 33.8986 -36.0429 32.2357 -11.5463 -20.0521 -34.9714 -20.9208 -48.1884 TIMING: 1046000 CPU: 3037.83, 0.00291416/step Wall: 3037.83, 0.00291416/step, 3.20072 hours remaining, 205.328125 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: 1046000 751.4251 2124.3614 1979.0340 118.4567 -206137.8983 17823.9099 0.0000 0.0000 34185.6325 -149155.0787 298.5516 -183340.7112 -149062.1882 298.4825 -246.0147 -209.9961 558881.5454 -8.5842 -8.5953 PRESSURE: 1046200 -16.3887 -13.529 80.3104 -13.5305 -318.53 -183.695 80.3102 -183.696 -96.1039 GPRESSURE: 1046200 -46.913 17.3821 100.792 -24.2694 -264.449 -228.049 124.634 -140.636 -35.1184 PRESSAVG: 1046200 -2.14444 -1.76254 12.7164 -1.7627 45.8503 -22.485 12.7164 -22.4851 -0.129696 GPRESSAVG: 1046200 -1.09888 -0.199769 12.5429 -2.54006 46.1451 -21.3417 13.5478 -22.8198 -1.00185 TIMING: 1046200 CPU: 3038.42, 0.00291097/step Wall: 3038.42, 0.00291097/step, 3.19706 hours remaining, 205.328125 MB of memory in use. ENERGY: 1046200 769.8526 2046.9665 1964.0439 111.5360 -205912.3641 17610.6418 0.0000 0.0000 34270.2592 -149139.0642 299.2907 -183409.3234 -149039.2484 299.7222 -143.6743 -115.4936 558345.0132 14.5254 14.6815 PRESSURE: 1046400 251.687 116.532 63.3575 116.533 340.675 5.58813 63.3583 5.58788 -39.3717 GPRESSURE: 1046400 244.482 69.8417 110.368 150.041 413.188 110.788 46.8505 72.6896 -20.1233 PRESSAVG: 1046400 -31.0352 5.9538 -21.491 5.95381 63.2239 -42.6704 -21.491 -42.6705 -34.4447 GPRESSAVG: 1046400 -30.1521 3.78064 -22.1332 7.22083 62.7663 -44.3628 -20.8767 -40.3907 -34.9018 TIMING: 1046400 CPU: 3039, 0.00290397/step Wall: 3039, 0.00290397/step, 3.1892 hours remaining, 205.328125 MB of memory in use. ENERGY: 1046400 769.1692 2049.5180 1983.6245 101.6481 -206599.0619 18192.2463 0.0000 0.0000 34465.9900 -149036.8658 301.0001 -183502.8558 -148939.3748 299.2639 184.3302 212.5154 556626.4568 -0.7520 -0.7625 PRESSURE: 1046600 165.309 -118.028 64.0592 -118.027 -103.898 12.9614 64.0615 12.9604 106.136 GPRESSURE: 1046600 204.258 -66.306 44.8862 -147.289 -65.1495 -81.715 145.004 83.6979 122.173 PRESSAVG: 1046600 -2.49504 77.6107 -8.92963 77.6107 40.7357 -12.4712 -8.92958 -12.4713 -32.8814 GPRESSAVG: 1046600 -1.81334 79.2939 -7.50802 77.1035 41.598 -11.8036 -10.2881 -14.488 -33.4504 TIMING: 1046600 CPU: 3039.58, 0.00291527/step Wall: 3039.58, 0.00291527/step, 3.20145 hours remaining, 205.328125 MB of memory in use. ENERGY: 1046600 733.0164 2096.6143 1962.6550 119.5749 -205915.3279 17891.4992 0.0000 0.0000 34218.2012 -148893.7670 298.8361 -183111.9682 -148798.4171 300.0166 55.8489 87.0938 558981.7177 1.7864 2.1114 PRESSURE: 1046800 -91.9266 -31.1392 54.6382 -31.1397 73.1176 -113.668 54.6367 -113.667 -138.464 GPRESSURE: 1046800 -95.7559 -1.40039 55.4343 -10.5096 150.349 -68.6283 80.3038 -143.206 -105.967 PRESSAVG: 1046800 10.2822 -0.714876 2.27569 -0.714904 11.2989 -43.5995 2.27566 -43.5995 -0.585828 GPRESSAVG: 1046800 10.0649 0.0704892 2.0277 -2.07298 10.1092 -45.8605 2.26074 -41.3859 1.22086 TIMING: 1046800 CPU: 3040.16, 0.00291733/step Wall: 3040.16, 0.00291733/step, 3.20355 hours remaining, 205.328125 MB of memory in use. ENERGY: 1046800 749.1790 2060.3997 1965.2434 96.6207 -205719.2390 17669.8195 0.0000 0.0000 34061.7905 -149116.1863 297.4701 -183177.9768 -149010.3058 299.5814 -52.4244 -17.1247 557965.0597 6.9984 7.1317 PRESSURE: 1047000 99.133 42.7928 83.3632 42.7929 68.3179 -43.1236 83.3628 -43.1231 233.179 GPRESSURE: 1047000 123.329 37.8673 166.848 -12.1199 87.6911 32.3649 89.3929 -20.6317 272.297 PRESSAVG: 1047000 -16.8779 16.1447 55.289 16.1447 -36.7232 -9.32192 55.2889 -9.32176 24.5705 GPRESSAVG: 1047000 -18.6114 13.9893 55.9303 19.6682 -35.458 -5.81394 54.831 -13.6351 25.297 TIMING: 1047000 CPU: 3040.75, 0.00291589/step Wall: 3040.75, 0.00291589/step, 3.20181 hours remaining, 205.328125 MB of memory in use. ENERGY: 1047000 726.1168 2095.4880 1968.9631 109.3445 -206276.4696 18038.1052 0.0000 0.0000 34290.1320 -149048.3200 299.4643 -183338.4520 -148954.6624 300.1015 133.5433 161.1060 556930.3624 -9.6769 -9.5908 PRESSURE: 1047200 165.166 -100.473 -99.8346 -100.474 -14.8015 -63.1157 -99.8357 -63.1146 185.698 GPRESSURE: 1047200 231.422 -120.384 -118.07 -89.4943 -6.34694 -108.563 -48.993 -92.8733 207.463 PRESSAVG: 1047200 6.17855 -13.6639 55.8958 -13.6639 21.8615 -38.2432 55.8959 -38.2431 -8.35532 GPRESSAVG: 1047200 8.33617 -10.7991 55.4817 -16.9948 20.8558 -40.5104 55.909 -36.4831 -9.20422 TIMING: 1047200 CPU: 3041.33, 0.00292332/step Wall: 3041.33, 0.00292332/step, 3.20981 hours remaining, 205.328125 MB of memory in use. ENERGY: 1047200 728.2778 2117.3128 1961.1277 115.4373 -206080.2573 17867.0721 0.0000 0.0000 34141.2132 -149149.8165 298.1637 -183291.0297 -149054.9415 299.5724 112.0207 144.1793 557139.5460 6.5616 6.6626 PRESSURE: 1047400 316.421 -25.8421 86.2511 -25.8415 273.475 -158.908 86.2525 -158.909 151.27 GPRESSURE: 1047400 340.655 -29.6286 86.9106 -8.56211 320.249 -100.914 65.7026 -198.891 181.836 PRESSAVG: 1047400 2.23643 -28.6135 72.491 -28.6134 -11.4169 -20.3979 72.4909 -20.3977 12.1143 GPRESSAVG: 1047400 1.97259 -30.0741 73.8258 -27.4648 -10.7089 -19.0642 72.4078 -20.5621 12.306 TIMING: 1047400 CPU: 3041.91, 0.00289199/step Wall: 3041.91, 0.00289199/step, 3.17525 hours remaining, 205.328125 MB of memory in use. ENERGY: 1047400 743.4913 2102.4048 2001.4160 104.9828 -206464.2143 18219.5266 0.0000 0.0000 33949.2775 -149343.1153 296.4875 -183292.3928 -149249.8818 298.5724 247.0554 280.9134 558090.6938 0.9779 1.1899 PRESSURE: 1047600 -139.47 60.1397 -164.859 60.1397 -245.166 138.71 -164.859 138.712 73.612 GPRESSURE: 1047600 -93.702 -40.4758 -146.189 88.9959 -164.847 15.5832 -149.262 124.572 58.5618 PRESSAVG: 1047600 -15.7255 -32.8908 -62.5288 -32.8908 45.7266 -49.0267 -62.5288 -49.0266 8.00138 GPRESSAVG: 1047600 -16.4567 -34.4991 -63.6035 -31.2955 45.9878 -49.4041 -61.3103 -51.0131 8.9651 TIMING: 1047600 CPU: 3042.49, 0.00290886/step Wall: 3042.49, 0.00290886/step, 3.19361 hours remaining, 205.328125 MB of memory in use. ENERGY: 1047600 758.0598 2143.1532 1958.4450 106.5534 -206180.4786 17751.0597 0.0000 0.0000 34170.8326 -149292.3750 298.4224 -183463.2075 -149201.4899 298.3861 -103.6745 -66.6624 557321.5520 12.6675 12.8321 PRESSURE: 1047800 45.2138 55.6646 -37.2468 55.6653 -9.05495 -192.398 -37.2477 -192.396 -186.061 GPRESSURE: 1047800 19.9788 42.0863 -64.5098 109.77 69.7577 -266.886 4.90177 -152.337 -148.518 PRESSAVG: 1047800 5.21363 -48.2707 13.3268 -48.2706 5.58105 -34.0201 13.3268 -34.0201 -53.7866 GPRESSAVG: 1047800 5.90512 -46.263 12.1787 -49.4756 5.14592 -35.0288 13.8846 -31.2917 -54.7654 TIMING: 1047800 CPU: 3043.08, 0.00293153/step Wall: 3043.08, 0.00293153/step, 3.21833 hours remaining, 205.328125 MB of memory in use. ENERGY: 1047800 726.4082 2054.1683 1975.3476 118.2063 -205751.3741 17597.4710 0.0000 0.0000 34272.7038 -149007.0689 299.3120 -183279.7727 -148914.8303 299.0874 -49.9675 -19.5940 557953.2124 -14.3306 -14.5714 PRESSURE: 1048000 -101.304 57.7133 -157.644 57.7124 57.5015 24.0617 -157.644 24.0623 -198.622 GPRESSURE: 1048000 -76.1796 40.3644 -113.016 63.6568 101.867 -46.1006 -201.133 13.9039 -177.815 PRESSAVG: 1048000 35.4141 -34.1558 -41.777 -34.1558 8.54511 -9.29694 -41.777 -9.29686 -67.1743 GPRESSAVG: 1048000 35.4012 -34.3482 -38.7651 -33.9559 8.46262 -9.24452 -43.6617 -9.51514 -67.0076 TIMING: 1048000 CPU: 3043.66, 0.00290417/step Wall: 3043.66, 0.00290417/step, 3.18813 hours remaining, 205.328125 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: 1048000 767.1804 2109.3747 1946.4944 110.1374 -205783.9032 17732.6512 0.0000 0.0000 34268.2448 -148849.8204 299.2731 -183118.0652 -148767.9501 299.9609 -80.8080 -50.7091 558684.3062 -7.7384 -7.7146 PRESSURE: 1048200 234.544 -118.392 -59.782 -118.392 -0.237222 -20.9571 -59.7818 -20.9578 165.188 GPRESSURE: 1048200 241.612 -97.7702 7.6098 7.65616 10.3836 -81.4281 -66.8146 94.3465 245.605 PRESSAVG: 1048200 54.0219 36.6431 34.7946 36.6431 1.48004 42.6115 34.7946 42.6115 -29.015 GPRESSAVG: 1048200 53.6352 37.4178 34.5204 35.779 1.06899 43.5754 37.4635 42.568 -27.8229 TIMING: 1048200 CPU: 3044.24, 0.00289337/step Wall: 3044.24, 0.00289337/step, 3.17612 hours remaining, 205.328125 MB of memory in use. ENERGY: 1048200 767.2575 2114.0680 1929.5999 95.3998 -205877.2265 17802.3361 0.0000 0.0000 34220.1988 -148948.3664 298.8535 -183168.5652 -148854.1272 300.4019 133.1648 165.8669 557355.7637 8.8290 8.9604 LDB: ============= START OF LOAD BALANCING ============== 3047.7 LDB: ============== END OF LOAD BALANCING =============== 3047.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3047.7 LDB: ============= START OF LOAD BALANCING ============== 3047.99 LDB: Largest compute 4820 load 0.028388 is 24.1% of average load 0.117573 LDB: Average compute 0.001741 is 1.5% of average load 0.117573 LDB: TIME 3047.99 LOAD: AVG 0.117573 MAX 0.178321 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.734 MB LDB: TIME 3047.99 LOAD: AVG 0.117573 MAX 0.178321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.734 MB LDB: TIME 3047.99 LOAD: AVG 0.117573 MAX 0.178321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.734 MB LDB: ============== END OF LOAD BALANCING =============== 3047.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3048 PRESSURE: 1048400 -98.6796 63.9116 13.2477 63.9116 -53.1667 -9.49563 13.2488 -9.49429 95.4641 GPRESSURE: 1048400 -111.881 86.6785 -33.2433 114.665 40.6996 124.9 -47.3891 -121.602 111.742 PRESSAVG: 1048400 -69.2324 24.4819 29.1779 24.4819 44.21 11.5002 29.1779 11.5002 18.9565 GPRESSAVG: 1048400 -69.5027 24.1144 28.7632 24.0195 44.9146 11.8226 27.7533 10.838 17.9247 TIMING: 1048400 CPU: 3044.82, 0.00293359/step Wall: 3044.82, 0.00293359/step, 3.2201 hours remaining, 204.941406 MB of memory in use. ENERGY: 1048400 722.1254 2118.6663 1937.6064 115.4630 -205831.6239 17620.4254 0.0000 0.0000 34391.1882 -148926.1492 300.3468 -183317.3374 -148822.2823 299.8497 -18.7941 13.5203 557145.4479 -2.0220 -2.2212 PRESSURE: 1048600 -459.526 11.7062 48.6246 11.7069 -141.531 -27.2579 48.6243 -27.257 -201.78 GPRESSURE: 1048600 -381.303 -6.22934 132.796 86.6846 -194.221 -20.3272 43.4171 -69.2622 -139.149 PRESSAVG: 1048600 -38.352 25.7226 -17.8191 25.7226 19.5005 -21.1295 -17.8192 -21.1296 25.5477 GPRESSAVG: 1048600 -36.6527 24.3345 -17.8482 27.6301 18.2603 -25.2154 -17.315 -18.4621 25.0476 TIMING: 1048600 CPU: 3045.4, 0.00289178/step Wall: 3045.4, 0.00289179/step, 3.17406 hours remaining, 205.011719 MB of memory in use. ENERGY: 1048600 772.9546 2163.0276 1967.0742 93.8748 -205770.2962 17385.9550 0.0000 0.0000 34248.4154 -149138.9945 299.0999 -183387.4100 -149048.6937 299.7073 -267.6123 -238.2244 557926.8677 2.2321 2.2184 PRESSURE: 1048800 338.043 -108.868 181.722 -108.868 220.707 -49.2456 181.723 -49.2442 -112.769 GPRESSURE: 1048800 399.063 -61.0555 216.078 -123.351 212.84 -85.8405 126.207 -22.6738 -69.7754 PRESSAVG: 1048800 -23.0611 -6.84026 -24.1298 -6.84032 -7.70354 -27.0252 -24.1298 -27.0252 -19.8594 GPRESSAVG: 1048800 -23.8142 -4.53764 -21.9602 -7.24391 -6.49854 -24.2401 -25.9624 -29.2894 -20.2008 TIMING: 1048800 CPU: 3045.98, 0.00290029/step Wall: 3045.98, 0.00290029/step, 3.18323 hours remaining, 205.011719 MB of memory in use. ENERGY: 1048800 700.2639 2096.8457 1953.8125 100.6703 -206113.4773 17865.4465 0.0000 0.0000 34293.5375 -149102.9009 299.4940 -183396.4384 -149002.4921 299.1813 148.6604 180.7093 557167.4866 -16.8747 -16.8378 PRESSURE: 1049000 243.564 -0.239745 59.3806 -0.238704 186.233 -59.1113 59.38 -59.1114 253.001 GPRESSURE: 1049000 235.294 77.1831 -6.89081 -6.36979 251.079 -20.6538 -17.9411 -107.51 289.633 PRESSAVG: 1049000 14.9046 -35.1865 -2.8808 -35.1865 31.424 23.9477 -2.88075 23.9477 -20.3694 GPRESSAVG: 1049000 15.2205 -36.5169 -5.01814 -34.3151 31.5397 23.6266 -2.24602 23.9448 -20.6871 TIMING: 1049000 CPU: 3046.56, 0.00288672/step Wall: 3046.56, 0.00288672/step, 3.16818 hours remaining, 205.011719 MB of memory in use. ENERGY: 1049000 789.2733 2105.5262 1953.0274 124.2470 -206218.5710 18218.2203 0.0000 0.0000 34186.0329 -148842.2440 298.5551 -183028.2768 -148736.3338 299.7356 227.5997 258.6689 556625.8357 8.6531 8.6911 PRESSURE: 1049200 -59.7921 -38.115 2.50595 -38.1142 81.9604 172.186 2.50508 172.186 -304.206 GPRESSURE: 1049200 2.53678 60.444 -35.2313 -107.725 105.411 118.456 27.2502 162.688 -288.435 PRESSAVG: 1049200 48.3301 -25.3848 64.2231 -25.3848 24.6856 24.2173 64.2231 24.2172 -41.8985 GPRESSAVG: 1049200 48.0695 -24.5553 63.5269 -27.6134 24.8172 24.1023 63.1995 23.5267 -41.5362 TIMING: 1049200 CPU: 3047.14, 0.0028947/step Wall: 3047.14, 0.0028947/step, 3.17677 hours remaining, 205.011719 MB of memory in use. ENERGY: 1049200 776.3862 2186.9085 1949.4183 113.5267 -205753.5946 17640.0093 0.0000 0.0000 34121.5586 -148965.7870 297.9921 -183087.3456 -148867.2320 300.3685 -94.0125 -60.1624 557301.1696 10.3724 10.4502 PRESSURE: 1049400 -80.3098 243.392 -18.4073 243.393 21.94 -111.305 -18.4073 -111.303 -19.9289 GPRESSURE: 1049400 -16.7049 267.64 40.9115 202.524 58.1165 -90.5149 11.0256 -77.812 -23.0902 PRESSAVG: 1049400 7.0694 -24.9652 -46.9678 -24.9653 63.5396 -26.7653 -46.9678 -26.7654 -26.9828 GPRESSAVG: 1049400 6.89563 -23.9011 -45.6401 -24.5904 64.0046 -26.2058 -45.7166 -25.9519 -27.0601 TIMING: 1049400 CPU: 3047.72, 0.00291358/step Wall: 3047.72, 0.00291358/step, 3.19733 hours remaining, 205.011719 MB of memory in use. ENERGY: 1049400 741.7206 2150.0099 1968.2667 105.9131 -205990.6945 17816.3913 0.0000 0.0000 34281.3850 -148927.0079 299.3879 -183208.3929 -148826.0307 299.8451 -26.0995 6.1071 558467.2397 14.5421 14.6134 PRESSURE: 1049600 -74.0271 43.3342 0.618209 43.3326 -287.592 -10.3515 0.617832 -10.3539 104.961 GPRESSURE: 1049600 -79.5541 18.3887 -56.6972 -6.8678 -170.499 -9.00999 -27.8769 90.9458 85.846 PRESSAVG: 1049600 5.1422 -36.0182 33.8823 -36.0182 -38.0305 -0.530915 33.8823 -0.530974 -1.21371 GPRESSAVG: 1049600 6.06693 -38.0868 33.1898 -35.9591 -37.8003 0.564177 33.0214 0.0731522 -2.57617 TIMING: 1049600 CPU: 3048.3, 0.00290323/step Wall: 3048.3, 0.00290323/step, 3.18581 hours remaining, 205.300781 MB of memory in use. ENERGY: 1049600 765.3029 2104.1462 1957.2124 116.0870 -205940.7536 17596.0931 0.0000 0.0000 34413.7774 -148988.1346 300.5441 -183401.9120 -148888.6283 299.2847 -85.5528 -54.7356 556611.7729 -11.3673 -11.4365 PRESSURE: 1049800 -21.0682 -40.8484 -165.306 -40.8493 -123.684 31.0441 -165.305 31.0447 -66.9137 GPRESSURE: 1049800 33.7757 -103.673 -43.7877 9.7476 -124.119 58.4743 -274.172 25.9838 -28.1407 PRESSAVG: 1049800 -1.65994 5.46366 -42.1427 5.46363 10.3226 11.4024 -42.1427 11.4024 -0.757908 GPRESSAVG: 1049800 -2.48929 4.41613 -41.8522 7.03731 9.91138 10.3646 -41.5922 11.4598 0.807512 TIMING: 1049800 CPU: 3048.88, 0.00289614/step Wall: 3048.88, 0.00289614/step, 3.17787 hours remaining, 205.300781 MB of memory in use. ENERGY: 1049800 710.8442 2107.5407 1957.0170 111.3746 -205820.5118 17607.1482 0.0000 0.0000 34277.1510 -149049.4362 299.3509 -183326.5871 -148952.0945 300.3692 -70.5552 -39.4946 557513.9493 2.6349 2.7432 PRESSURE: 1050000 319.706 57.8312 26.2531 57.8306 147.643 0.838235 26.2542 0.839157 117.593 GPRESSURE: 1050000 387.734 70.677 112.942 -30.4173 177.036 -78.5304 -65.222 89.9906 113.47 PRESSAVG: 1050000 39.1671 55.3292 -32.1861 55.3292 -23.6745 -20.4836 -32.1862 -20.4836 -5.34844 GPRESSAVG: 1050000 39.4002 55.6699 -32.9529 53.1679 -23.9714 -21.8306 -31.5007 -21.2455 -5.24678 TIMING: 1050000 CPU: 3049.46, 0.00290613/step Wall: 3049.46, 0.00290613/step, 3.18867 hours remaining, 205.300781 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: 1050000 749.1309 2059.9430 1951.8026 106.4038 -206341.1481 18018.6564 0.0000 0.0000 34364.1073 -149091.1041 300.1103 -183455.2114 -148997.5753 300.0738 194.9808 226.0797 557706.2103 3.3814 3.3940 PRESSURE: 1050200 -25.7715 -22.5477 100.177 -22.547 155.407 -46.4875 100.178 -46.4865 14.8165 GPRESSURE: 1050200 -12.1274 -43.8761 82.1425 1.16526 190.827 -27.6787 173.247 -25.214 58.8632 PRESSAVG: 1050200 54.1552 56.6838 -69.7718 56.6837 4.67 13.556 -69.7718 13.556 -61.164 GPRESSAVG: 1050200 53.2739 55.4702 -67.7494 57.9264 4.52601 14.2778 -68.2243 12.7299 -59.7691 TIMING: 1050200 CPU: 3050.04, 0.00291427/step Wall: 3050.04, 0.00291427/step, 3.19744 hours remaining, 205.562500 MB of memory in use. ENERGY: 1050200 713.9461 2025.3591 1973.9173 106.4611 -206332.2847 17903.1680 0.0000 0.0000 34519.8274 -149089.6058 301.4702 -183609.4332 -148996.3529 300.3028 48.1507 79.1875 557112.3110 -0.7796 -0.6564 PRESSURE: 1050400 150.211 56.7782 -54.8137 56.7767 -10.2204 -84.5969 -54.8138 -84.598 -140.308 GPRESSURE: 1050400 147.065 87.7518 -66.3045 70.6488 77.4211 -37.7457 -27.2798 -94.6133 -133.062 PRESSAVG: 1050400 57.279 -1.44581 2.18796 -1.44583 -9.65207 -10.0637 2.18789 -10.0637 -33.4932 GPRESSAVG: 1050400 56.977 1.1766 -0.948958 -1.11027 -9.57242 -10.4661 0.971391 -10.5215 -33.2132 TIMING: 1050400 CPU: 3050.63, 0.00292938/step Wall: 3050.63, 0.00292938/step, 3.21385 hours remaining, 205.562500 MB of memory in use. ENERGY: 1050400 741.9297 2112.6765 1962.0265 104.8227 -206102.5620 17809.7209 0.0000 0.0000 34254.3813 -149117.0044 299.1520 -183371.3857 -149011.8552 299.0207 -0.1060 30.4747 557578.0466 4.7112 4.7305 PRESSURE: 1050600 -8.95191 28.0215 -72.0162 28.021 -133.425 -37.0383 -72.0169 -37.0379 215.468 GPRESSURE: 1050600 29.2969 26.1655 -120.295 27.2536 -80.1699 -36.2192 -64.9744 13.3602 221.225 PRESSAVG: 1050600 -35.1963 62.846 22.2636 62.8461 16.329 -45.5707 22.2636 -45.5707 11.741 GPRESSAVG: 1050600 -34.015 64.3722 23.1796 62.2168 16.1908 -44.7824 23.2005 -44.2829 11.6229 TIMING: 1050600 CPU: 3051.21, 0.00290316/step Wall: 3051.21, 0.00290316/step, 3.18493 hours remaining, 205.562500 MB of memory in use. ENERGY: 1050600 741.1581 2096.7093 1931.6399 108.2479 -205897.7890 17765.1928 0.0000 0.0000 34328.2392 -148926.6019 299.7971 -183254.8411 -148824.5826 298.7008 24.3638 56.7839 556420.2854 -2.3754 -2.0671 PRESSURE: 1050800 82.8335 25.9047 -35.5961 25.9045 227.24 128.441 -35.5965 128.441 -44.3618 GPRESSURE: 1050800 121.804 43.4297 -92.7671 -57.4226 242.12 170.347 69.4118 114.701 6.00377 PRESSAVG: 1050800 -22.1388 38.3156 19.0331 38.3157 35.6342 26.4593 19.0331 26.4592 -21.0306 GPRESSAVG: 1050800 -21.0055 35.8382 22.2419 38.9718 34.6334 25.3681 17.9453 26.9403 -21.375 TIMING: 1050800 CPU: 3051.79, 0.00289301/step Wall: 3051.79, 0.00289301/step, 3.17364 hours remaining, 205.562500 MB of memory in use. ENERGY: 1050800 710.3380 2076.5297 1963.2789 118.6887 -206212.7542 17945.6912 0.0000 0.0000 34281.0236 -149117.2042 299.3847 -183398.2278 -149024.6748 299.5703 88.5707 123.3092 558383.4474 -2.5117 -2.5824 PRESSURE: 1051000 -168.076 154.496 123.904 154.496 88.1589 141.147 123.904 141.148 41.1349 GPRESSURE: 1051000 -106.174 115.574 81.9468 210.322 74.3599 127.507 157.219 153.921 100.004 PRESSAVG: 1051000 11.1359 -1.05103 -4.71936 -1.05107 -35.3664 10.474 -4.71939 10.474 40.5479 GPRESSAVG: 1051000 9.65626 -0.0146121 -5.76391 -1.78875 -33.8283 10.991 -3.63941 7.76458 40.615 TIMING: 1051000 CPU: 3052.37, 0.00289262/step Wall: 3052.37, 0.00289262/step, 3.17305 hours remaining, 205.562500 MB of memory in use. ENERGY: 1051000 727.0702 2079.9499 1985.6407 124.4039 -206301.8751 17786.0972 0.0000 0.0000 34417.7952 -149180.9180 300.5792 -183598.7132 -149075.6984 300.1654 -12.9275 22.7300 556608.2869 5.4391 5.4810 PRESSURE: 1051200 -260.478 -17.7359 -104.982 -17.7366 61.6382 -68.0416 -104.982 -68.0416 3.24395 GPRESSURE: 1051200 -250.917 22.3803 -128.553 -38.9252 75.1144 -77.1072 -71.3493 -25.7849 78.7267 PRESSAVG: 1051200 6.5547 15.2422 -25.304 15.2421 42.8624 -27.7708 -25.304 -27.7707 -51.8451 GPRESSAVG: 1051200 5.82301 14.4719 -24.3174 16.2238 42.6302 -28.5554 -26.8174 -26.2803 -50.5084 TIMING: 1051200 CPU: 3052.95, 0.00290637/step Wall: 3052.95, 0.00290637/step, 3.18796 hours remaining, 205.562500 MB of memory in use. ENERGY: 1051200 749.0008 2051.0224 1973.1051 124.9728 -205919.6152 17633.8293 0.0000 0.0000 34190.4357 -149197.2491 298.5936 -183387.6848 -149099.0299 299.2046 -65.1987 -32.3587 557418.4911 -0.8093 -0.6851 PRESSURE: 1051400 88.6748 4.24026 -23.4218 4.23977 46.1496 -222.852 -23.4201 -222.85 189.466 GPRESSURE: 1051400 154.105 -3.51398 -0.632768 -11.0379 67.0169 -230.53 -92.5016 -207.584 199.39 PRESSAVG: 1051400 -2.26092 35.4247 -2.6698 35.4247 51.0377 -7.65893 -2.66974 -7.659 -70.9853 GPRESSAVG: 1051400 -1.13038 36.0081 -3.52371 34.3726 51.0929 -6.41544 -3.84125 -8.52373 -71.9116 TIMING: 1051400 CPU: 3053.53, 0.00290224/step Wall: 3053.53, 0.00290224/step, 3.18327 hours remaining, 205.562500 MB of memory in use. ENERGY: 1051400 776.8073 2076.9379 1994.5853 129.8638 -206367.2762 18049.8156 0.0000 0.0000 34196.8226 -149142.4437 298.6494 -183339.2662 -149049.4910 299.1526 108.0967 140.1705 556452.6699 -7.4029 -7.3164 PRESSURE: 1051600 -214.341 -146.939 85.2017 -146.938 -164.734 -177.675 85.2021 -177.678 -36.2612 GPRESSURE: 1051600 -174.67 -96.1647 -52.3992 -215.773 -176.896 -177.582 161.617 -122.05 22.1826 PRESSAVG: 1051600 -27.3158 1.05315 -16.415 1.05319 27.7163 -47.8375 -16.415 -47.8375 -39.4647 GPRESSAVG: 1051600 -26.7119 0.324601 -16.2675 2.63737 27.9564 -47.472 -15.1875 -47.3615 -40.2497 TIMING: 1051600 CPU: 3054.11, 0.00291365/step Wall: 3054.11, 0.00291365/step, 3.19563 hours remaining, 205.562500 MB of memory in use. ENERGY: 1051600 782.7408 2078.3453 1956.9208 131.1154 -205997.2991 17687.4538 0.0000 0.0000 34224.1385 -149136.5844 298.8879 -183360.7229 -149047.6158 298.6656 -138.4454 -109.7943 558482.0057 -13.0214 -13.0017 PRESSURE: 1051800 21.776 87.011 147.127 87.0097 101.009 -155.526 147.128 -155.526 110.592 GPRESSURE: 1051800 89.2637 4.15648 183.04 51.4966 88.7244 -147.429 222.481 -54.5105 151.658 PRESSAVG: 1051800 -38.0719 31.0588 -32.3351 31.0588 58.9856 -0.566872 -32.3351 -0.566889 -17.7672 GPRESSAVG: 1051800 -38.3316 31.3072 -31.99 30.9367 58.9329 -1.51557 -32.6298 0.873964 -17.6609 TIMING: 1051800 CPU: 3054.69, 0.00289779/step Wall: 3054.69, 0.00289779/step, 3.17807 hours remaining, 205.562500 MB of memory in use. ENERGY: 1051800 762.5720 2020.5827 1956.2156 126.7142 -206038.0228 17873.0648 0.0000 0.0000 34021.3423 -149277.5310 297.1168 -183298.8734 -149179.9044 299.4535 77.7921 109.8821 557712.3242 1.0488 0.9801 PRESSURE: 1052000 15.4107 -70.156 -136.845 -70.1565 -30.0287 80.8454 -136.846 80.8459 -230.986 GPRESSURE: 1052000 68.9731 -56.2324 -104.945 -58.4103 16.3176 46.5511 -174.028 131.4 -232.17 PRESSAVG: 1052000 -20.9001 38.1184 -56.7391 38.1185 27.2428 50.4806 -56.7392 50.4804 -1.08387 GPRESSAVG: 1052000 -22.8875 37.7965 -58.7961 37.4404 27.9606 52.7023 -53.3766 49.8999 -0.16016 TIMING: 1052000 CPU: 3055.28, 0.00292086/step Wall: 3055.28, 0.00292086/step, 3.20321 hours remaining, 205.562500 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: 1052000 772.3287 2074.1999 1934.0931 114.1675 -206243.8857 17830.9728 0.0000 0.0000 34187.0352 -149331.0884 298.5639 -183518.1236 -149232.2850 298.4644 -81.8680 -48.9598 558682.3108 1.7529 1.6377 PRESSURE: 1052200 64.598 190.747 -150.205 190.749 110.306 162.022 -150.205 162.024 -21.8104 GPRESSURE: 1052200 84.2483 135.642 -142.621 168.685 125.049 26.4156 -131.741 261.323 39.7053 PRESSAVG: 1052200 33.3422 25.2587 -16.6018 25.2586 57.2936 36.8003 -16.6017 36.8003 -101.742 GPRESSAVG: 1052200 33.8569 24.4202 -15.6119 29.111 57.161 35.0076 -19.0052 37.6529 -101.471 TIMING: 1052200 CPU: 3055.86, 0.00291635/step Wall: 3055.86, 0.00291635/step, 3.1981 hours remaining, 205.562500 MB of memory in use. ENERGY: 1052200 733.4513 2072.6098 1978.9081 109.8851 -206389.1387 17906.3935 0.0000 0.0000 34288.7103 -149299.1806 299.4518 -183587.8910 -149203.3538 298.9417 51.0314 83.0009 558265.6768 -3.7020 -3.4844 LDB: ============= START OF LOAD BALANCING ============== 3059.33 LDB: ============== END OF LOAD BALANCING =============== 3059.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3059.33 LDB: ============= START OF LOAD BALANCING ============== 3059.62 LDB: Largest compute 4820 load 0.027876 is 23.7% of average load 0.117629 LDB: Average compute 0.001737 is 1.5% of average load 0.117629 LDB: TIME 3059.62 LOAD: AVG 0.117629 MAX 0.178262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.914 MB LDB: TIME 3059.62 LOAD: AVG 0.117629 MAX 0.178262 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: TIME 3059.62 LOAD: AVG 0.117629 MAX 0.178262 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: ============== END OF LOAD BALANCING =============== 3059.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3059.63 PRESSURE: 1052400 65.732 -63.1668 -186.159 -63.1659 68.6281 92.7136 -186.159 92.7141 45.6473 GPRESSURE: 1052400 63.4676 -97.4547 -207.692 -33.1378 116.026 144.998 -247.143 90.7709 95.5706 PRESSAVG: 1052400 25.0174 41.5761 -27.9132 41.576 78.8186 89.6828 -27.9132 89.6829 -97.2239 GPRESSAVG: 1052400 25.1289 42.4763 -28.521 39.5996 78.1881 90.1479 -28.5432 88.4436 -96.5856 TIMING: 1052400 CPU: 3056.45, 0.0029605/step Wall: 3056.45, 0.0029605/step, 3.24635 hours remaining, 204.777344 MB of memory in use. ENERGY: 1052400 715.6963 2060.8609 1978.6684 121.0711 -206768.3594 18037.6190 0.0000 0.0000 34434.3288 -149420.1149 300.7236 -183854.4437 -149316.5072 299.3150 60.0024 91.6880 556003.4497 2.2041 2.2438 PRESSURE: 1052600 -423.392 65.0081 34.6769 65.0068 161.143 49.4184 34.6764 49.4178 83.6951 GPRESSURE: 1052600 -372.177 -45.085 -19.2118 54.1956 220.776 88.908 50.2765 6.75944 78.7653 PRESSAVG: 1052600 4.47666 25.7498 0.419277 25.7497 33.9121 71.8192 0.419232 71.8193 -29.5323 GPRESSAVG: 1052600 4.73315 26.1742 1.24407 24.6864 35.3177 71.5969 0.930492 72.6469 -31.6109 TIMING: 1052600 CPU: 3057.03, 0.00288695/step Wall: 3057.03, 0.00288695/step, 3.16554 hours remaining, 205.136719 MB of memory in use. ENERGY: 1052600 753.6628 2097.9775 1938.6715 111.1232 -206362.5604 17806.5777 0.0000 0.0000 34246.3679 -149408.1799 299.0820 -183654.5477 -149305.9053 298.6453 -59.5179 -24.2119 557671.9178 2.9522 2.8133 PRESSURE: 1052800 -7.95568 25.1688 34.2027 25.167 9.41773 -10.4122 34.2016 -10.4119 -176.697 GPRESSURE: 1052800 26.9164 99.9655 -46.2726 11.1257 57.024 63.8102 55.9832 -13.7118 -164.242 PRESSAVG: 1052800 -43.8023 -12.3312 -11.0316 -12.3311 26.0223 1.79725 -11.0316 1.79733 -23.588 GPRESSAVG: 1052800 -43.7036 -9.97539 -10.3523 -11.5947 24.6936 1.39745 -9.75171 0.328047 -22.6159 TIMING: 1052800 CPU: 3057.61, 0.0029175/step Wall: 3057.61, 0.0029175/step, 3.19888 hours remaining, 205.136719 MB of memory in use. ENERGY: 1052800 737.2120 2061.4237 1964.4338 127.5095 -206188.0193 17688.0450 0.0000 0.0000 34314.2954 -149295.0999 299.6753 -183609.3952 -149195.2224 298.3612 -58.4116 -26.7672 556952.6338 -13.7893 -13.8753 PRESSURE: 1053000 46.8856 -98.2862 -119.61 -98.285 -297.272 155.151 -119.609 155.152 132.296 GPRESSURE: 1053000 144.528 -23.6927 -95.3848 -138.141 -335.809 107.12 -107.924 145.854 166.778 PRESSAVG: 1053000 -65.9107 -61.7888 34.8607 -61.7888 44.8963 -5.87625 34.8607 -5.87635 65.8232 GPRESSAVG: 1053000 -65.5123 -63.5829 35.1291 -61.1422 44.5138 -5.66414 33.0062 -4.38638 66.1828 TIMING: 1053000 CPU: 3058.2, 0.0029144/step Wall: 3058.2, 0.0029144/step, 3.19531 hours remaining, 205.136719 MB of memory in use. ENERGY: 1053000 689.8231 2062.6510 1990.5724 126.0171 -205958.4954 17642.8598 0.0000 0.0000 34206.5413 -149240.0307 298.7342 -183446.5721 -149147.8686 298.8767 -39.3636 -8.1677 557277.0222 14.9362 15.0614 PRESSURE: 1053200 -155.141 -88.0896 -91.9878 -88.09 7.64729 -170.025 -91.9893 -170.026 182.068 GPRESSURE: 1053200 -59.0273 25.6547 -51.8492 -128.741 22.2408 -115.441 -40.3144 -195.954 157.367 PRESSAVG: 1053200 64.3449 19.562 -63.8279 19.5621 -8.34052 24.9889 -63.828 24.9888 -38.1812 GPRESSAVG: 1053200 64.0794 18.0518 -64.159 18.8358 -7.82932 25.6114 -63.7338 24.6537 -38.2194 TIMING: 1053200 CPU: 3058.78, 0.00290959/step Wall: 3058.78, 0.00290959/step, 3.18988 hours remaining, 205.136719 MB of memory in use. ENERGY: 1053200 748.0463 2028.0867 1970.5355 110.7531 -206359.1473 17952.5052 0.0000 0.0000 34120.3760 -149428.8445 297.9817 -183549.2205 -149333.2916 298.3278 11.5247 40.1937 556768.0944 5.9411 6.0102 PRESSURE: 1053400 98.9585 -9.61775 -45.9388 -9.61842 -3.79264 36.8534 -45.939 36.8531 -26.3835 GPRESSURE: 1053400 120.564 46.1703 -67.5728 -19.9054 -8.9122 9.93894 -64.9756 28.4576 45.8795 PRESSAVG: 1053400 20.005 8.95058 -26.4668 8.95048 -15.5872 -15.1387 -26.4668 -15.1388 -12.7809 GPRESSAVG: 1053400 19.9158 9.66937 -26.9421 8.12226 -15.3329 -16.0222 -25.3568 -16.9473 -13.213 TIMING: 1053400 CPU: 3059.36, 0.00288881/step Wall: 3059.36, 0.00288881/step, 3.16693 hours remaining, 205.339844 MB of memory in use. ENERGY: 1053400 778.5425 2099.3396 1942.2113 106.4665 -206415.4563 17787.6267 0.0000 0.0000 34303.7530 -149397.5167 299.5832 -183701.2697 -149297.8903 297.8191 22.9274 52.5103 555493.8779 -2.7877 -2.8767 PRESSURE: 1053600 -76.9615 -42.1201 -100.282 -42.1195 -101.71 39.6241 -100.282 39.6232 -437.027 GPRESSURE: 1053600 -40.1243 -42.2843 -67.9874 -9.24697 -83.568 -62.859 -143.727 53.6189 -414.126 PRESSAVG: 1053600 42.04 11.7145 -90.5616 11.7146 -41.4944 -13.3671 -90.5616 -13.367 -34.6471 GPRESSAVG: 1053600 42.7125 12.7997 -89.1724 13.1733 -41.289 -14.5643 -91.4018 -11.657 -35.4995 TIMING: 1053600 CPU: 3059.94, 0.00292387/step Wall: 3059.94, 0.00292387/step, 3.20521 hours remaining, 205.339844 MB of memory in use. ENERGY: 1053600 754.0845 2022.3144 1958.8241 121.3549 -205948.6466 17452.5980 0.0000 0.0000 34043.5388 -149595.9318 297.3107 -183639.4706 -149497.4879 298.4400 -205.2328 -179.2728 556549.3872 -11.3672 -11.3587 PRESSURE: 1053800 -61.2529 66.6385 -34.7488 66.6385 71.9779 173.763 -34.7496 173.763 -130.604 GPRESSURE: 1053800 -43.7885 131.074 -104.51 52.2149 78.1837 217.083 46.8037 148.273 -63.7524 PRESSAVG: 1053800 -6.18557 21.5846 -16.5463 21.5846 36.246 5.32689 -16.5462 5.32681 -20.216 GPRESSAVG: 1053800 -8.16929 23.7386 -18.377 18.5999 36.4955 7.03129 -16.1378 5.02805 -19.1935 TIMING: 1053800 CPU: 3060.52, 0.00288156/step Wall: 3060.52, 0.00288156/step, 3.15867 hours remaining, 205.339844 MB of memory in use. ENERGY: 1053800 768.7037 2078.8173 1951.1197 127.1932 -206227.7527 17775.4207 0.0000 0.0000 34082.6738 -149443.8243 297.6525 -183526.4981 -149347.8922 298.4672 -39.9596 -9.7857 557371.2279 3.2815 3.0442 PRESSURE: 1054000 -112.099 85.7781 -68.2024 85.7781 99.8389 64.2831 -68.202 64.2828 -256.372 GPRESSURE: 1054000 -128.244 114.015 -52.2881 53.8305 95.1491 59.4733 -92.6306 62.627 -146.428 PRESSAVG: 1054000 -6.48305 33.6937 -2.11191 33.6937 26.6786 43.7381 -2.11196 43.7381 -16.3355 GPRESSAVG: 1054000 -4.8947 32.5162 -3.03346 35.2908 24.4384 44.4976 -0.924509 44.4195 -15.5713 TIMING: 1054000 CPU: 3061.1, 0.0029161/step Wall: 3061.1, 0.0029161/step, 3.19637 hours remaining, 205.339844 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: 1054000 747.5158 2097.8364 1956.8148 123.7596 -206454.5380 17784.2957 0.0000 0.0000 34132.1629 -149612.1527 298.0847 -183744.3156 -149513.4448 298.6187 -89.5439 -59.8410 557991.6759 1.2867 1.3241 PRESSURE: 1054200 -104.658 21.8298 -144.776 21.8292 70.8271 6.91982 -144.777 6.92144 143.168 GPRESSURE: 1054200 -52.3255 -81.2596 -107.118 46.3479 127.537 43.4133 -132.606 40.5517 117.702 PRESSAVG: 1054200 14.6704 -44.8876 1.63751 -44.8877 -27.9209 -29.6837 1.63749 -29.6838 -22.1771 GPRESSAVG: 1054200 14.0538 -44.7224 2.74331 -44.7373 -26.204 -26.89 0.647267 -32.4906 -23.4701 TIMING: 1054200 CPU: 3061.68, 0.00290911/step Wall: 3061.68, 0.00290911/step, 3.18855 hours remaining, 205.339844 MB of memory in use. ENERGY: 1054200 738.9314 2087.3887 1955.7034 110.6994 -206386.1372 18043.0558 0.0000 0.0000 33869.9234 -149580.4351 295.7945 -183450.3585 -149484.9597 297.7058 36.4456 64.3045 558230.1642 -11.8092 -11.8734 PRESSURE: 1054400 -331.501 33.2262 9.80091 33.2269 -20.5616 1.48279 9.80066 1.48148 80.9643 GPRESSURE: 1054400 -240.867 -4.17189 83.7064 43.8117 -58.7577 -66.3481 8.3033 -2.10895 126.752 PRESSAVG: 1054400 -9.98751 -7.10273 16.2498 -7.10267 -3.96762 -35.1779 16.2498 -35.1779 26.311 GPRESSAVG: 1054400 -10.5924 -6.73436 18.1606 -8.52448 -4.01174 -38.6483 15.0175 -33.5635 27.0558 TIMING: 1054400 CPU: 3062.26, 0.00289353/step Wall: 3062.26, 0.00289353/step, 3.17131 hours remaining, 205.339844 MB of memory in use. ENERGY: 1054400 790.5109 2075.3915 1942.3095 104.0380 -206161.2032 17741.0532 0.0000 0.0000 34022.2227 -149485.6774 297.1245 -183507.9001 -149388.3637 297.4331 -90.3661 -57.6245 558413.9760 4.1186 4.1505 PRESSURE: 1054600 166.011 -29.717 75.314 -29.7164 -111.568 112.845 75.3132 112.844 -72.2958 GPRESSURE: 1054600 121.185 -47.2325 37.702 -9.27251 -54.2819 118.372 34.678 104.668 6.71629 PRESSAVG: 1054600 -45.6657 -59.587 70.0936 -59.5869 2.09728 -50.8714 70.0936 -50.8713 4.7624 GPRESSAVG: 1054600 -45.8566 -60.9916 69.3084 -58.6143 1.68948 -49.6943 70.7063 -51.3246 5.80647 TIMING: 1054600 CPU: 3062.84, 0.0028972/step Wall: 3062.84, 0.0028972/step, 3.17517 hours remaining, 205.339844 MB of memory in use. ENERGY: 1054600 748.3941 2071.3092 1957.2126 119.6033 -206418.5293 17870.0777 0.0000 0.0000 34103.2107 -149548.7217 297.8318 -183651.9323 -149449.9228 298.4372 -5.9507 24.5397 558642.3964 -12.9354 -12.7869 PRESSURE: 1054800 -165.362 163.939 -211.715 163.939 119.021 -31.5672 -211.715 -31.5663 -229.702 GPRESSURE: 1054800 -158.766 38.334 -207.231 135.664 98.3301 -4.9771 -170.266 -64.8998 -123.399 PRESSAVG: 1054800 -14.737 -31.8594 81.8784 -31.8595 56.2443 52.2956 81.8783 52.2956 -30.0904 GPRESSAVG: 1054800 -14.0209 -32.2447 81.8176 -30.6254 55.0557 51.186 81.7243 51.8042 -30.318 TIMING: 1054800 CPU: 3063.42, 0.00291141/step Wall: 3063.42, 0.00291141/step, 3.19058 hours remaining, 205.339844 MB of memory in use. ENERGY: 1054800 725.5838 2150.7026 1931.6747 111.5134 -205945.9378 17588.6299 0.0000 0.0000 34007.9946 -149429.8388 297.0003 -183437.8334 -149338.1400 298.7102 -92.0144 -61.2784 558807.6930 3.8056 3.5723 PRESSURE: 1055000 -229.328 -58.8402 -21.6193 -58.8402 -429.401 83.573 -21.6209 83.5741 -454.789 GPRESSURE: 1055000 -260.834 -6.61306 -51.7073 -33.6199 -365.369 -33.6038 -27.4235 143.788 -399.605 PRESSAVG: 1055000 -5.9513 8.59754 13.9677 8.59762 7.32453 32.3645 13.9678 32.3646 20.1011 GPRESSAVG: 1055000 -6.43633 8.85654 14.6803 7.50535 9.19675 33.5136 13.7575 32.2712 18.3592 TIMING: 1055000 CPU: 3064, 0.00289135/step Wall: 3064, 0.00289135/step, 3.16844 hours remaining, 205.339844 MB of memory in use. ENERGY: 1055000 733.9302 2059.8265 1946.6068 108.2547 -205966.0482 17331.0081 0.0000 0.0000 34191.2238 -149595.1980 298.6005 -183786.4218 -149494.9260 298.1521 -371.1726 -341.9360 560078.1239 7.1581 7.0399 PRESSURE: 1055200 227.858 15.3726 -24.6646 15.3724 104.326 16.7682 -24.6655 16.7677 154.462 GPRESSURE: 1055200 250.261 17.8216 -105.563 -96.8761 120.581 15.9636 -56.2633 23.0283 205.742 PRESSAVG: 1055200 31.9531 -75.8928 -6.13214 -75.8929 -44.3935 83.2761 -6.13222 83.2762 -21.7438 GPRESSAVG: 1055200 31.606 -76.862 -7.17466 -75.755 -44.9472 83.7021 -3.67206 83.2095 -21.1686 TIMING: 1055200 CPU: 3064.58, 0.00289059/step Wall: 3064.58, 0.00289059/step, 3.16744 hours remaining, 205.339844 MB of memory in use. ENERGY: 1055200 727.2706 2054.8759 1953.4170 129.0941 -205931.4559 17789.4914 0.0000 0.0000 33966.0524 -149311.2544 296.6340 -183277.3069 -149220.0526 297.7894 162.2156 192.1945 558703.2915 -11.3947 -11.5033 PRESSURE: 1055400 256.344 -38.4016 4.14716 -38.4027 -33.683 151.782 4.14677 151.783 -240.828 GPRESSURE: 1055400 262.086 -1.06207 27.2064 -23.8636 12.3898 125.599 -24.6462 154.224 -195.246 PRESSAVG: 1055400 -45.3462 36.773 71.6039 36.7729 28.8777 10.6746 71.6039 10.6746 1.26598 GPRESSAVG: 1055400 -44.188 38.3464 69.8843 37.8262 27.2518 8.96182 71.8327 11.7093 1.17297 TIMING: 1055400 CPU: 3065.16, 0.00289518/step Wall: 3065.16, 0.00289518/step, 3.17232 hours remaining, 205.339844 MB of memory in use. ENERGY: 1055400 707.7381 2050.4110 2001.5943 133.6652 -206232.7911 17833.0618 0.0000 0.0000 34281.0651 -149225.2556 299.3851 -183506.3207 -149128.7633 298.5463 -6.0555 26.4100 557972.5912 -5.0675 -5.2544 PRESSURE: 1055600 -105.977 -3.60789 17.7442 -3.60746 -156.895 -38.6796 17.744 -38.6771 -167.655 GPRESSURE: 1055600 -81.2052 89.0453 -11.2226 48.8351 -171.603 -148.923 32.2506 -60.6886 -76.7117 PRESSAVG: 1055600 5.98993 4.09442 15.7597 4.09453 -26.7142 0.116655 15.7599 0.116752 3.411 GPRESSAVG: 1055600 5.7753 3.03992 17.2086 5.84678 -24.2185 0.811163 15.233 -0.818739 1.41609 TIMING: 1055600 CPU: 3065.73, 0.00288802/step Wall: 3065.73, 0.00288802/step, 3.16431 hours remaining, 205.339844 MB of memory in use. ENERGY: 1055600 767.8489 2067.5466 1992.4996 109.3485 -206156.8003 17551.7903 0.0000 0.0000 34285.5527 -149382.2136 299.4243 -183667.7663 -149281.8277 298.3080 -143.5089 -109.8398 557633.9304 -5.7711 -5.6757 PRESSURE: 1055800 -107.07 122.882 0.421387 122.883 209.626 -129.623 0.420969 -129.621 -198.408 GPRESSURE: 1055800 -32.4123 90.5095 -16.8716 105.24 239.094 -131.812 52.7688 -50.4117 -203.446 PRESSAVG: 1055800 -52.8888 -43.5766 -44.6647 -43.5765 41.2453 -0.684664 -44.6646 -0.684629 37.6955 GPRESSAVG: 1055800 -53.6539 -43.9116 -43.6738 -45.506 39.9199 1.0571 -44.7655 -1.3391 39.9558 TIMING: 1055800 CPU: 3066.32, 0.00291859/step Wall: 3066.32, 0.00291859/step, 3.19764 hours remaining, 205.339844 MB of memory in use. ENERGY: 1055800 746.8640 2092.3647 1965.9443 114.0452 -206463.2475 17837.8948 0.0000 0.0000 34188.3993 -149517.7351 298.5758 -183706.1344 -149426.5004 297.9577 -31.9506 1.0785 557265.7055 8.6840 8.7406 PRESSURE: 1056000 -101.885 -113.946 -25.3141 -113.947 -225.689 82.1182 -25.3142 82.1179 124.635 GPRESSURE: 1056000 -99.3967 -173.76 -124.149 -42.0708 -180.351 93.1994 -42.7943 144.627 173.623 PRESSAVG: 1056000 -35.1859 25.0736 -16.6742 25.0736 -16.8979 -11.9545 -16.6742 -11.9544 54.4309 GPRESSAVG: 1056000 -35.691 25.5134 -15.7555 24.3871 -17.0652 -14.1726 -17.8749 -9.11052 54.9592 TIMING: 1056000 CPU: 3066.9, 0.00290108/step Wall: 3066.9, 0.00290108/step, 3.1783 hours remaining, 205.339844 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: 1056000 749.1118 2111.4778 1968.3570 125.3862 -206527.7842 18054.8452 0.0000 0.0000 33936.4905 -149582.1157 296.3758 -183518.6062 -149483.0034 297.1953 -67.6460 -35.3749 557319.4908 0.7823 0.7343 PRESSURE: 1056200 22.9529 91.6703 -73.8652 91.6716 14.2047 -149.842 -73.8637 -149.841 45.2076 GPRESSURE: 1056200 53.7193 77.4047 -33.4174 77.9411 124.421 -158.949 -115.745 -194.761 -12.8718 PRESSAVG: 1056200 27.5998 -11.4894 28.3669 -11.4893 -92.0918 -6.48194 28.3669 -6.48195 22.8044 GPRESSAVG: 1056200 27.6994 -9.07456 27.6646 -13.2292 -91.967 -8.1111 27.5297 -7.58457 22.1998 TIMING: 1056200 CPU: 3067.48, 0.00289474/step Wall: 3067.48, 0.00289474/step, 3.17119 hours remaining, 205.339844 MB of memory in use. ENERGY: 1056200 735.9595 2062.9949 1991.0668 130.9241 -206349.3540 17847.0461 0.0000 0.0000 34173.1344 -149408.2283 298.4425 -183581.3627 -149312.8594 298.0951 27.4551 55.0895 556527.5874 -13.8959 -14.0226 LDB: ============= START OF LOAD BALANCING ============== 3070.94 LDB: ============== END OF LOAD BALANCING =============== 3070.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3070.95 LDB: ============= START OF LOAD BALANCING ============== 3071.24 LDB: Largest compute 4820 load 0.027545 is 23.4% of average load 0.117594 LDB: Average compute 0.001736 is 1.5% of average load 0.117594 LDB: TIME 3071.24 LOAD: AVG 0.117594 MAX 0.176782 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.582 MB LDB: TIME 3071.24 LOAD: AVG 0.117594 MAX 0.176782 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.598 MB LDB: TIME 3071.24 LOAD: AVG 0.117594 MAX 0.176782 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.598 MB LDB: ============== END OF LOAD BALANCING =============== 3071.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3071.25 PRESSURE: 1056400 -74.2222 81.809 -229.441 81.8095 -206.064 51.3375 -229.443 51.3377 -173.371 GPRESSURE: 1056400 -77.0299 51.1096 -260.062 32.4695 -139.1 175.104 -279.575 26.0104 -143.26 PRESSAVG: 1056400 18.1682 -4.70011 -10.4274 -4.70006 21.8766 18.4157 -10.4274 18.4156 1.13179 GPRESSAVG: 1056400 17.9882 -6.96865 -9.46843 -4.08116 21.8332 20.6576 -8.97114 17.8356 1.08911 TIMING: 1056400 CPU: 3068.07, 0.00296444/step Wall: 3068.07, 0.00296443/step, 3.24737 hours remaining, 203.652344 MB of memory in use. ENERGY: 1056400 793.2282 2103.4671 1961.8612 99.2823 -206242.9301 17745.6869 0.0000 0.0000 34090.8103 -149448.5941 297.7235 -183539.4044 -149361.6134 298.5394 -151.2191 -119.7965 557682.9698 13.7255 13.6368 PRESSURE: 1056600 -6.11015 -122.806 77.5381 -122.806 57.3893 -4.63152 77.5389 -4.63244 -56.0106 GPRESSURE: 1056600 -0.0462684 -99.3627 129.019 -61.8456 121.048 33.7119 -14.3713 -45.4887 -31.7878 PRESSAVG: 1056600 19.9039 -3.68955 12.4676 -3.68956 33.8 -27.7289 12.4675 -27.7288 -26.0312 GPRESSAVG: 1056600 19.9889 -3.75346 9.93461 -2.65001 33.5945 -25.3991 14.9097 -27.9823 -25.8667 TIMING: 1056600 CPU: 3068.65, 0.00289722/step Wall: 3068.65, 0.00289722/step, 3.17358 hours remaining, 203.855469 MB of memory in use. ENERGY: 1056600 743.1460 2081.7775 1968.4223 115.2383 -206469.1747 17919.9291 0.0000 0.0000 34265.0306 -149375.6310 299.2450 -183640.6616 -149276.4113 298.8815 -1.5772 29.7380 556853.7661 9.2242 9.2389 PRESSURE: 1056800 -166.28 -257.144 144.54 -257.144 -278.43 2.5032 144.539 2.5025 -188.983 GPRESSURE: 1056800 -168.958 -247.128 72.1185 -262.926 -235.03 -62.4883 125.518 -66.2091 -129.346 PRESSAVG: 1056800 46.8779 -32.9697 -0.53082 -32.9697 -34.3513 -5.95222 -0.530834 -5.95228 -19.6984 GPRESSAVG: 1056800 47.9896 -32.6542 -1.27744 -33.0742 -34.5112 -7.69291 -1.75979 -5.45196 -20.512 TIMING: 1056800 CPU: 3069.23, 0.00290032/step Wall: 3069.23, 0.00290032/step, 3.17682 hours remaining, 203.855469 MB of memory in use. ENERGY: 1056800 722.0088 2055.7949 1985.4506 125.7585 -205956.7066 17444.6132 0.0000 0.0000 34332.9974 -149290.0832 299.8386 -183623.0806 -149191.8819 299.2447 -211.2309 -177.7778 556713.9815 -2.3906 -2.3445 PRESSURE: 1057000 72.7369 -151.488 22.5354 -151.489 11.8197 90.8885 22.5365 90.8899 44.3559 GPRESSURE: 1057000 107.224 -108.556 -2.43971 -63.2624 61.6971 103.264 21.3619 44.9087 52.9957 PRESSAVG: 1057000 42.1886 -33.2247 21.9262 -33.2247 -44.6163 2.73903 21.9263 2.739 32.2884 GPRESSAVG: 1057000 40.8814 -32.989 21.9762 -32.5041 -44.8279 0.188324 21.1237 3.91812 33.7476 TIMING: 1057000 CPU: 3069.8, 0.00287247/step Wall: 3069.8, 0.00287247/step, 3.14615 hours remaining, 203.929688 MB of memory in use. ENERGY: 1057000 713.7506 2063.4914 1970.1695 121.3144 -206483.8881 17977.8240 0.0000 0.0000 34314.4096 -149322.9286 299.6763 -183637.3382 -149225.9530 299.4862 42.9708 73.9723 556939.8182 9.9536 9.9337 PRESSURE: 1057200 77.6243 39.3591 -100.004 39.3595 126.266 -36.3299 -100.004 -36.3306 260.217 GPRESSURE: 1057200 110.79 49.4833 -68.6151 47.6359 135.912 -133.823 -77.4561 117.513 318.726 PRESSAVG: 1057200 32.6763 -22.5255 27.0376 -22.5255 -48.7325 52.6287 27.0377 52.6287 -7.60604 GPRESSAVG: 1057200 33.7011 -22.2257 28.5947 -25.1081 -48.3822 53.5817 26.9393 53.0172 -9.48427 TIMING: 1057200 CPU: 3070.38, 0.00289827/step Wall: 3070.38, 0.00289827/step, 3.17425 hours remaining, 203.929688 MB of memory in use. ENERGY: 1057200 704.8968 2063.8576 1982.5760 126.8434 -206405.4772 18002.7613 0.0000 0.0000 34258.6836 -149265.8586 299.1896 -183524.5421 -149175.0364 298.6420 154.7024 188.4762 556651.0502 -7.8874 -8.0551 PRESSURE: 1057400 337.849 78.186 50.7243 78.1858 138.741 -78.6549 50.7255 -78.6549 284.947 GPRESSURE: 1057400 370.914 170.778 45.1236 7.28814 194.916 -77.5988 43.8459 -59.1125 288.751 PRESSAVG: 1057400 61.1938 32.6789 12.5147 32.6789 8.10651 -36.9456 12.5147 -36.9456 -35.6835 GPRESSAVG: 1057400 60.6416 33.1832 11.2737 31.3299 8.5094 -35.4966 11.4792 -37.6054 -35.6434 TIMING: 1057400 CPU: 3070.97, 0.00291791/step Wall: 3070.97, 0.00291791/step, 3.19559 hours remaining, 203.953125 MB of memory in use. ENERGY: 1057400 747.6932 2031.3519 1972.7078 105.6288 -206236.5087 18089.3386 0.0000 0.0000 34067.5969 -149222.1916 297.5208 -183289.7885 -149130.5296 299.0902 253.8456 284.8602 555671.9456 11.2056 11.1692 PRESSURE: 1057600 228.466 -41.5056 -20.201 -41.504 275.3 78.5914 -20.2002 78.5925 78.2682 GPRESSURE: 1057600 234.341 -106.628 -36.757 59.6174 269.811 21.7942 -76.5698 107.004 181.881 PRESSAVG: 1057600 26.1128 36.0212 -57.8619 36.0213 -33.4949 -22.2233 -57.8618 -22.2232 -31.3101 GPRESSAVG: 1057600 27.0829 36.5459 -59.2146 38.143 -34.1416 -23.146 -53.1033 -20.9371 -31.7865 TIMING: 1057600 CPU: 3071.55, 0.00290873/step Wall: 3071.55, 0.00290873/step, 3.18538 hours remaining, 204.015625 MB of memory in use. ENERGY: 1057600 742.0138 2050.9857 1955.6912 112.9173 -206657.3836 18154.3555 0.0000 0.0000 34367.3386 -149274.0814 300.1385 -183641.4200 -149175.1365 299.7913 194.0115 228.6776 556969.4595 -12.8974 -12.9484 PRESSURE: 1057800 -37.8202 -7.43793 39.2192 -7.43718 14.6317 90.7278 39.2201 90.728 -239.372 GPRESSURE: 1057800 1.43877 21.2678 104.339 29.1569 56.7608 -19.0389 -7.10684 120.995 -225.125 PRESSAVG: 1057800 15.607 4.88264 8.8139 4.88264 64.5419 6.1207 8.81391 6.12076 -57.7625 GPRESSAVG: 1057800 14.3009 1.78365 9.74171 2.93465 64.1486 7.35143 4.59315 4.30996 -56.0621 TIMING: 1057800 CPU: 3072.13, 0.00290106/step Wall: 3072.13, 0.00290106/step, 3.17682 hours remaining, 204.015625 MB of memory in use. ENERGY: 1057800 745.9978 2138.6374 1962.6391 124.1068 -205989.5993 17718.8777 0.0000 0.0000 34116.7637 -149182.5769 297.9502 -183299.3405 -149091.1767 299.0100 -87.5202 -55.6420 558823.9468 7.4621 7.4625 PRESSURE: 1058000 -42.328 2.62109 64.0789 2.62243 -19.7939 -251.473 64.0795 -251.473 -53.6809 GPRESSURE: 1058000 -34.0604 3.97753 40.3422 10.5712 54.6128 -261.751 112.279 -182.466 -41.781 PRESSAVG: 1058000 -27.5015 13.0906 -47.3595 13.0907 43.1681 -2.75795 -47.3596 -2.75808 -69.2147 GPRESSAVG: 1058000 -27.7285 13.4128 -45.2581 14.2947 42.9478 -3.01486 -49.9933 -3.3702 -68.61 TIMING: 1058000 CPU: 3072.71, 0.00290914/step Wall: 3072.71, 0.00290914/step, 3.18551 hours remaining, 204.015625 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: 1058000 738.3664 2112.5031 1990.8198 108.5548 -206396.9749 17812.6633 0.0000 0.0000 34311.0097 -149323.0578 299.6466 -183634.0675 -149230.4899 299.4497 -38.6010 -7.0762 557058.1077 -17.8493 -17.7969 PRESSURE: 1058200 -82.7864 -119.824 22.2833 -119.824 -236.314 -60.9477 22.2839 -60.9476 54.5561 GPRESSURE: 1058200 -16.2367 -110.274 -13.9352 -87.2008 -208.222 -79.2644 71.9019 -2.82455 59.9768 PRESSAVG: 1058200 -83.4237 32.5079 -21.2429 32.508 42.3059 -1.11054 -21.2428 -1.11043 39.0061 GPRESSAVG: 1058200 -82.6098 32.8593 -22.0252 31.7689 42.8369 1.98906 -18.3968 -2.59665 37.8185 TIMING: 1058200 CPU: 3073.29, 0.00290512/step Wall: 3073.29, 0.00290512/step, 3.18094 hours remaining, 204.015625 MB of memory in use. ENERGY: 1058200 744.1888 2114.5654 1947.7840 115.1490 -206441.4771 17822.4143 0.0000 0.0000 34168.1508 -149529.2247 298.3990 -183697.3755 -149428.5469 298.9441 -88.1815 -54.8274 556890.5672 -0.7039 -0.6515 PRESSURE: 1058400 -175.505 119.252 62.3904 119.252 129.999 192.117 62.3904 192.117 50.6911 GPRESSURE: 1058400 -161.288 78.3325 42.3893 115.395 150.682 305.225 37.5339 19.2802 88.2844 PRESSAVG: 1058400 -26.5951 -13.139 -59.8831 -13.139 12.1872 -24.3773 -59.883 -24.3776 24.4296 GPRESSAVG: 1058400 -26.8981 -13.173 -60.2959 -11.1939 12.624 -28.2608 -60.2943 -22.0746 24.0328 TIMING: 1058400 CPU: 3073.87, 0.00288246/step Wall: 3073.87, 0.00288246/step, 3.15597 hours remaining, 204.015625 MB of memory in use. ENERGY: 1058400 749.7736 2033.5118 1986.2164 111.4038 -206582.1201 18063.4079 0.0000 0.0000 34075.9533 -149561.8534 297.5938 -183637.8067 -149469.0051 297.9151 1.7284 25.8929 558386.2944 3.3406 3.2529 PRESSURE: 1058600 -20.5898 -136.453 148.343 -136.453 73.7398 141.493 148.342 141.493 -212.279 GPRESSURE: 1058600 -7.35155 -245.611 116.738 -114.016 80.9855 99.0855 125.473 81.7846 -126.973 PRESSAVG: 1058600 -10.3755 -23.5818 -40.0547 -23.5819 39.2362 37.154 -40.0548 37.1541 -18.36 GPRESSAVG: 1058600 -10.7195 -22.7392 -39.9378 -25.7961 38.7663 38.463 -39.942 37.5184 -17.1975 TIMING: 1058600 CPU: 3074.45, 0.0028842/step Wall: 3074.45, 0.0028842/step, 3.15772 hours remaining, 204.015625 MB of memory in use. ENERGY: 1058600 754.7453 2102.0677 1941.1707 112.6909 -206520.3321 17971.6963 0.0000 0.0000 34232.1630 -149405.7981 298.9580 -183637.9611 -149310.8665 298.3198 -53.0431 -17.7796 558567.7935 3.5002 3.6165 PRESSURE: 1058800 -25.2198 -94.807 76.8775 -94.8066 -74.9847 98.1562 76.8773 98.1551 -59.784 GPRESSURE: 1058800 0.245263 -102.755 57.2874 -83.3769 -32.4727 127.713 119.965 -53.1278 -36.9749 PRESSAVG: 1058800 -14.7988 -5.82083 0.658922 -5.82077 72.1089 46.2521 0.658835 46.2521 -39.3395 GPRESSAVG: 1058800 -13.9816 -5.99754 -0.113992 -3.99796 71.7902 47.1571 0.324995 46.1201 -40.0925 TIMING: 1058800 CPU: 3075.02, 0.0028827/step Wall: 3075.02, 0.0028827/step, 3.15591 hours remaining, 204.015625 MB of memory in use. ENERGY: 1058800 745.2209 2025.7918 1966.6720 122.7553 -206267.2506 17807.1722 0.0000 0.0000 34287.4496 -149312.1888 299.4408 -183599.6384 -149214.2015 298.0256 -53.3295 -23.0674 557969.6473 5.9902 5.9054 PRESSURE: 1059000 213.817 83.4626 -25.6637 83.4622 -125.393 -211.52 -25.6629 -211.519 -102.071 GPRESSURE: 1059000 220.622 -49.6688 -107.31 94.2746 -67.5572 -297.343 33.3304 -142.47 -75.5596 PRESSAVG: 1059000 -2.90372 -5.06758 -17.7249 -5.06755 0.295126 -53.1977 -17.725 -53.1978 23.2725 GPRESSAVG: 1059000 -1.52227 -6.4983 -15.5173 -6.90068 1.97481 -55.4183 -19.5158 -54.0123 20.6835 TIMING: 1059000 CPU: 3075.6, 0.00288937/step Wall: 3075.6, 0.00288937/step, 3.16306 hours remaining, 204.015625 MB of memory in use. ENERGY: 1059000 753.4164 2095.9812 1944.7785 108.1912 -206484.6968 17803.3751 0.0000 0.0000 34498.6658 -149280.2886 301.2854 -183778.9544 -149187.6435 299.5820 -4.5491 25.8351 556292.0103 6.8880 7.0454 PRESSURE: 1059200 32.525 33.4194 38.6749 33.42 4.44685 -36.2878 38.6738 -36.2876 -93.917 GPRESSURE: 1059200 97.5929 61.2312 -30.9905 153.186 12.0454 -67.5827 13.9802 -123.134 -74.0046 PRESSAVG: 1059200 50.2407 13.046 -40.7562 13.046 -44.302 -69.1213 -40.7561 -69.1213 28.4779 GPRESSAVG: 1059200 49.6789 13.3265 -45.4754 13.9328 -45.1309 -68.2053 -37.9443 -69.4195 29.5894 TIMING: 1059200 CPU: 3076.18, 0.00289804/step Wall: 3076.18, 0.00289804/step, 3.17239 hours remaining, 204.015625 MB of memory in use. ENERGY: 1059200 762.1622 2076.2702 1940.7386 110.2460 -206238.1291 17849.6488 0.0000 0.0000 34294.6625 -149204.4009 299.5038 -183499.0634 -149113.7009 299.1586 -18.9817 11.8779 556934.3745 11.4722 11.3792 PRESSURE: 1059400 -313.476 -162.654 159.118 -162.652 -165.245 -173.739 159.118 -173.739 -0.570604 GPRESSURE: 1059400 -264.973 -224.354 197.673 -99.3272 -162.861 -44.4992 106.292 -166.817 36.7125 PRESSAVG: 1059400 3.43558 -36.5539 -5.91025 -36.5538 13.8791 -61.5387 -5.91026 -61.5388 -53.2112 GPRESSAVG: 1059400 3.22355 -35.5654 -2.28863 -35.3548 13.4461 -60.5858 -9.0813 -60.5302 -52.943 TIMING: 1059400 CPU: 3076.76, 0.00290233/step Wall: 3076.76, 0.00290233/step, 3.17692 hours remaining, 204.015625 MB of memory in use. ENERGY: 1059400 752.3621 2109.6721 1974.9738 107.0696 -206303.9885 17691.6817 0.0000 0.0000 34483.2134 -149185.0158 301.1505 -183668.2292 -149087.6586 298.6617 -159.7642 -130.3739 556535.9459 -11.9655 -12.0911 PRESSURE: 1059600 -80.9379 112.667 -4.69125 112.669 -102.5 -199.478 -4.69301 -199.479 -230.826 GPRESSURE: 1059600 -27.0278 124.893 -85.2126 124.784 -84.9793 -160.066 -9.37103 -169.546 -202.8 PRESSAVG: 1059600 7.20761 -10.4784 -37.6715 -10.4783 -17.1874 -51.1125 -37.6715 -51.1126 0.245649 GPRESSAVG: 1059600 6.83653 -12.0884 -37.7364 -12.1422 -17.4029 -51.475 -36.1203 -51.55 0.893682 TIMING: 1059600 CPU: 3077.34, 0.0028966/step Wall: 3077.34, 0.0028966/step, 3.17049 hours remaining, 204.015625 MB of memory in use. ENERGY: 1059600 748.4931 2106.4065 1966.4115 106.7004 -205896.1933 17678.7675 0.0000 0.0000 34187.5790 -149101.8355 298.5686 -183289.4145 -149008.9709 299.4551 -138.0880 -104.9358 557246.3054 -3.2447 -3.2242 PRESSURE: 1059800 -111.484 155.715 135.689 155.716 56.3332 37.5278 135.689 37.527 144.37 GPRESSURE: 1059800 -39.7056 117.459 124.606 126.708 77.5559 72.2601 101.426 116.681 144.933 PRESSAVG: 1059800 0.0371263 43.5252 -16.6986 43.5251 12.8101 -24.7495 -16.6985 -24.7496 -22.2872 GPRESSAVG: 1059800 0.342253 44.3807 -17.4619 44.2609 13.1192 -25.8836 -15.0226 -24.0074 -22.8971 TIMING: 1059800 CPU: 3077.91, 0.00287568/step Wall: 3077.91, 0.00287568/step, 3.14744 hours remaining, 204.015625 MB of memory in use. ENERGY: 1059800 738.4463 2112.1088 1971.3098 116.7480 -206086.7975 17820.1049 0.0000 0.0000 34133.9859 -149194.0937 298.1006 -183328.0797 -149103.9661 299.0801 29.7398 60.9276 556540.9748 -3.1466 -3.1452 PRESSURE: 1060000 64.9836 58.1826 -47.3565 58.1837 2.94851 150.885 -47.3574 150.885 37.5971 GPRESSURE: 1060000 177.692 67.5798 7.37697 86.4733 2.36277 160.526 -190.508 134.924 18.7132 PRESSAVG: 1060000 -15.7788 16.8797 -6.04765 16.8797 1.71079 4.08836 -6.04769 4.08832 2.18977 GPRESSAVG: 1060000 -17.457 14.8266 -4.00881 17.4547 3.64629 4.7705 -8.70151 2.39657 2.44245 TIMING: 1060000 CPU: 3078.49, 0.00288521/step Wall: 3078.49, 0.00288521/step, 3.15771 hours remaining, 204.015625 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: 1060000 743.2281 2081.0481 1958.2359 119.7082 -206250.2495 17889.3378 0.0000 0.0000 34314.3860 -149144.3054 299.6761 -183458.6914 -149049.1692 298.7496 35.1764 66.2560 556579.5712 -3.9594 -3.7894 PRESSURE: 1060200 -131.028 -104.129 -11.8969 -104.13 -66.6524 -227.832 -11.8968 -227.833 -188.133 GPRESSURE: 1060200 -68.6717 -157.35 -15.5486 -73.4426 -59.7365 -228.232 -22.1216 -264.6 -172.953 PRESSAVG: 1060200 -32.5034 11.9712 -18.4002 11.9712 14.2184 7.10301 -18.4002 7.10298 87.3552 GPRESSAVG: 1060200 -31.2666 14.6465 -19.2212 10.7979 13.204 8.34546 -18.4138 7.87014 87.4835 TIMING: 1060200 CPU: 3079.07, 0.00289325/step Wall: 3079.07, 0.00289325/step, 3.16634 hours remaining, 204.015625 MB of memory in use. ENERGY: 1060200 762.4476 2062.2610 1951.2739 118.7443 -205966.7928 17568.6690 0.0000 0.0000 34278.5961 -149224.8009 299.3635 -183503.3970 -149133.1999 299.5958 -128.6048 -100.4539 556712.4034 23.0234 23.1403 LDB: ============= START OF LOAD BALANCING ============== 3082.53 LDB: ============== END OF LOAD BALANCING =============== 3082.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3082.54 LDB: ============= START OF LOAD BALANCING ============== 3082.83 LDB: Largest compute 4820 load 0.028304 is 24.1% of average load 0.117600 LDB: Average compute 0.001729 is 1.5% of average load 0.117600 LDB: TIME 3082.83 LOAD: AVG 0.1176 MAX 0.17884 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.473 MB LDB: TIME 3082.83 LOAD: AVG 0.1176 MAX 0.17884 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.531 MB LDB: TIME 3082.83 LOAD: AVG 0.1176 MAX 0.17884 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3082.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3082.84 PRESSURE: 1060400 184.035 -33.1014 -5.82166 -33.1032 -114.625 122.518 -5.82204 122.517 -21.5884 GPRESSURE: 1060400 168.525 -8.7394 -46.9263 1.67958 -20.7844 10.6297 49.8387 92.2159 -3.73806 PRESSAVG: 1060400 33.2297 9.11432 -6.68154 9.11442 5.26381 -59.8615 -6.68167 -59.8614 -28.6769 GPRESSAVG: 1060400 33.2926 8.95615 -7.28442 8.70319 4.58113 -61.484 -4.84115 -58.8225 -27.5569 TIMING: 1060400 CPU: 3079.66, 0.00295772/step Wall: 3079.66, 0.00295772/step, 3.23673 hours remaining, 204.449219 MB of memory in use. ENERGY: 1060400 735.9098 2056.6888 1962.5956 115.9017 -205880.6511 17774.4777 0.0000 0.0000 34079.9813 -149155.0962 297.6290 -183235.0775 -149064.8442 299.0967 15.9405 48.0010 557297.6546 3.2722 3.4389 PRESSURE: 1060600 144.718 -25.4765 60.6779 -25.4764 232.395 -127.186 60.6788 -127.187 -30.7781 GPRESSURE: 1060600 141.769 -1.14895 77.4734 -64.0383 304.696 -94.865 78.3539 -110.837 7.63808 PRESSAVG: 1060600 -11.9826 82.5157 58.0705 82.5157 -1.95135 -17.4485 58.0706 -17.4486 10.3192 GPRESSAVG: 1060600 -10.7341 82.2124 57.9051 82.9352 -2.39618 -15.5467 58.7567 -19.7817 9.34709 TIMING: 1060600 CPU: 3080.24, 0.0028907/step Wall: 3080.24, 0.0028907/step, 3.16323 hours remaining, 204.449219 MB of memory in use. ENERGY: 1060600 753.7902 2107.8758 1941.9212 122.8058 -205980.4159 17935.6312 0.0000 0.0000 33917.5148 -149200.8770 296.2101 -183118.3917 -149101.6077 298.9950 115.4449 151.3676 557118.0578 -1.2049 -1.2611 PRESSURE: 1060800 -27.8791 -191.684 -8.0939 -191.684 -92.4384 34.0112 -8.094 34.0099 84.4147 GPRESSURE: 1060800 30.6935 -224.667 51.1729 -128.583 -104.299 -3.36242 -56.9979 67.1081 117.44 PRESSAVG: 1060800 52.3468 -41.201 -26.3833 -41.2009 -14.6423 -9.09986 -26.3833 -9.09977 -11.128 GPRESSAVG: 1060800 51.768 -41.9404 -26.7553 -40.1699 -14.3716 -10.1504 -27.9746 -7.77237 -10.2607 TIMING: 1060800 CPU: 3080.82, 0.00288128/step Wall: 3080.82, 0.00288128/step, 3.15277 hours remaining, 204.449219 MB of memory in use. ENERGY: 1060800 749.5102 2102.8706 1974.1323 111.1116 -206312.4212 17885.0259 0.0000 0.0000 34338.6545 -149151.1160 299.8880 -183489.7705 -149054.8156 299.4302 -11.9676 14.6115 558488.7955 8.8588 9.0452 PRESSURE: 1061000 -160.914 38.1601 -20.8008 38.1596 -68.9231 70.6689 -20.8009 70.669 57.982 GPRESSURE: 1061000 -171.731 -20.6449 -31.5526 160.319 -0.486108 132.861 53.5713 -1.01761 107.297 PRESSAVG: 1061000 -56.4519 -44.0768 4.33306 -44.0768 15.2815 36.3148 4.3331 36.3147 30.3834 GPRESSAVG: 1061000 -57.6816 -44.9992 5.38144 -44.607 16.6678 36.5184 4.42591 36.6255 30.7088 TIMING: 1061000 CPU: 3081.4, 0.00290234/step Wall: 3081.4, 0.00290234/step, 3.17565 hours remaining, 204.554688 MB of memory in use. ENERGY: 1061000 743.6879 2080.2497 1974.4922 120.7038 -206097.9383 17844.6378 0.0000 0.0000 34140.1863 -149193.9807 298.1547 -183334.1670 -149103.6582 299.8023 -57.2849 -21.6400 557718.3101 -3.5957 -3.4350 PRESSURE: 1061200 22.8792 -65.0625 20.5748 -65.0641 -90.5042 9.49566 20.5749 9.49509 43.4546 GPRESSURE: 1061200 96.6899 -59.4654 46.6764 -34.0143 -80.3328 88.044 100.905 -26.619 53.8688 PRESSAVG: 1061200 -35.5645 -11.5616 34.4931 -11.5617 44.6756 -26.887 34.493 -26.8871 3.81272 GPRESSAVG: 1061200 -34.5987 -10.0761 32.6238 -11.5569 44.3132 -26.5692 36.9798 -29.3189 3.08827 TIMING: 1061200 CPU: 3081.97, 0.0028829/step Wall: 3081.97, 0.0028829/step, 3.15421 hours remaining, 204.554688 MB of memory in use. ENERGY: 1061200 775.6348 2119.8999 1957.1952 122.7475 -206277.6947 17913.9148 0.0000 0.0000 34241.7132 -149146.5894 299.0414 -183388.3025 -149045.0333 299.6652 -8.0568 23.4086 556925.9465 4.3079 4.2676 PRESSURE: 1061400 9.80301 -0.6261 -91.308 -0.625373 -164.65 67.6303 -91.307 67.6293 202.978 GPRESSURE: 1061400 8.93678 56.2631 -108.744 -7.4723 -165.321 84.1068 -18.6615 -16.1277 299.009 PRESSAVG: 1061400 -67.3186 -31.0164 -33.3236 -31.0163 39.5019 -40.3841 -33.3235 -40.3841 22.3859 GPRESSAVG: 1061400 -68.1391 -33.0736 -31.2748 -31.2021 39.4589 -40.3309 -37.3618 -39.0938 23.0358 TIMING: 1061400 CPU: 3082.55, 0.00289093/step Wall: 3082.55, 0.00289093/step, 3.16284 hours remaining, 204.554688 MB of memory in use. ENERGY: 1061400 761.6135 2115.5908 1979.8461 119.0452 -205856.4612 17762.9365 0.0000 0.0000 34091.1826 -149026.2465 297.7268 -183117.4291 -148929.2390 299.2470 16.0437 47.5414 556998.3897 -1.8103 -1.8814 PRESSURE: 1061600 -146.418 178.107 64.1585 178.106 74.6158 -100.009 64.1591 -100.01 107.159 GPRESSURE: 1061600 -117.148 209.122 28.5286 140.082 127.339 -34.9934 58.6646 -101.9 118.895 PRESSAVG: 1061600 -35.9004 -30.7834 -47.2476 -30.7834 18.5553 -71.4318 -47.2476 -71.4318 1.76474 GPRESSAVG: 1061600 -34.7968 -28.4913 -47.846 -30.4374 18.501 -73.5156 -46.1683 -69.844 0.641543 TIMING: 1061600 CPU: 3083.13, 0.002903/step Wall: 3083.13, 0.002903/step, 3.17588 hours remaining, 204.554688 MB of memory in use. ENERGY: 1061600 747.3448 2096.4853 1981.5102 116.0063 -206264.3698 17833.6725 0.0000 0.0000 34489.7397 -148999.6111 301.2075 -183489.3508 -148906.8049 300.0664 11.7858 43.0285 557893.2402 -5.1935 -5.2181 PRESSURE: 1061800 -105.098 58.6242 -87.2258 58.6239 -14.6299 -85.5143 -87.227 -85.5142 -35.4651 GPRESSURE: 1061800 -64.1911 -25.5378 -87.3497 70.6475 15.0921 54.7231 -28.1268 -121.89 -1.11206 PRESSAVG: 1061800 50.2124 63.0161 -10.6878 63.016 2.35366 -6.29986 -10.6877 -6.29993 -49.951 GPRESSAVG: 1061800 49.2865 63.3421 -12.4934 61.632 1.5623 -4.18548 -8.67533 -8.05102 -48.4066 TIMING: 1061800 CPU: 3083.71, 0.0028933/step Wall: 3083.71, 0.0028933/step, 3.16511 hours remaining, 204.554688 MB of memory in use. ENERGY: 1061800 752.5245 2094.2978 1958.7332 112.6539 -206057.1396 17800.3826 0.0000 0.0000 34176.2216 -149162.3261 298.4694 -183338.5476 -149065.0910 299.4780 -51.7311 -16.7370 557469.5165 0.8717 0.8141 PRESSURE: 1062000 -251.84 -87.4537 6.36647 -87.4541 -12.2633 -42.895 6.36575 -42.8955 126.765 GPRESSURE: 1062000 -199.862 -134.753 19.3801 -34.7236 6.86047 -88.5754 -22.4855 -19.5989 152.321 PRESSAVG: 1062000 44.9002 15.0544 -17.4834 15.0544 -51.3354 -32.5269 -17.4835 -32.527 21.489 GPRESSAVG: 1062000 44.7622 14.6023 -17.1377 17.3398 -49.6613 -34.1752 -17.098 -31.7282 20.5634 TIMING: 1062000 CPU: 3084.29, 0.00289076/step Wall: 3084.29, 0.00289076/step, 3.16218 hours remaining, 204.753906 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: 1062000 772.8974 2078.4349 1981.2645 135.1325 -205991.0690 17684.1602 0.0000 0.0000 34217.0582 -149122.1213 298.8261 -183339.1796 -149035.5702 298.5869 -45.7793 -13.5603 557189.1330 5.0180 5.2214 PRESSURE: 1062200 -70.3867 46.6176 -82.445 46.6177 -208.058 17.5275 -82.4456 17.5263 -165.585 GPRESSURE: 1062200 -25.5408 94.936 -94.0694 67.371 -199.792 52.5137 -42.0052 -26.7221 -125.587 PRESSAVG: 1062200 58.3858 -28.1031 -30.2864 -28.1032 -14.6211 -37.7487 -30.2863 -37.7488 -16.0737 GPRESSAVG: 1062200 58.8092 -28.0439 -28.6415 -30.8647 -15.0574 -35.9763 -31.4828 -38.8184 -16.1434 TIMING: 1062200 CPU: 3084.87, 0.0028977/step Wall: 3084.87, 0.0028977/step, 3.1696 hours remaining, 204.753906 MB of memory in use. ENERGY: 1062200 728.0025 2048.5576 1976.1466 118.9119 -205820.4259 17478.2780 0.0000 0.0000 34237.8501 -149232.6793 299.0077 -183470.5293 -149142.3664 299.3135 -148.0099 -116.9732 556910.7909 9.2303 9.2028 PRESSURE: 1062400 29.8474 -17.3891 -70.5732 -17.3893 -1.75998 -212.027 -70.5732 -212.027 -135.852 GPRESSURE: 1062400 37.2127 -11.0098 -142.009 -66.8677 28.0245 -252.056 -30.9315 -169.627 -75.689 PRESSAVG: 1062400 39.3793 59.8079 -11.334 59.8079 30.682 -30.6601 -11.3339 -30.6601 -32.6783 GPRESSAVG: 1062400 39.5122 60.3262 -9.7861 61.5303 30.2882 -32.4851 -11.9417 -30.283 -31.7205 TIMING: 1062400 CPU: 3085.46, 0.00293412/step Wall: 3085.46, 0.00293412/step, 3.20928 hours remaining, 204.753906 MB of memory in use. ENERGY: 1062400 772.8180 2046.4244 1989.8635 124.2416 -205990.6337 17715.9033 0.0000 0.0000 34022.7765 -149318.6065 297.1294 -183341.3830 -149229.1078 299.1198 -35.9214 -3.4839 559039.8302 12.4610 12.6933 PRESSURE: 1062600 -272.753 -71.3262 -75.4841 -71.3277 -44.8015 -16.6288 -75.4841 -16.6294 -149.933 GPRESSURE: 1062600 -267.86 -13.9043 -108.906 -79.6268 -106.309 -23.3168 -102.937 33.4572 5.33044 PRESSAVG: 1062600 10.0887 -0.129661 20.82 -0.129556 -27.0545 -65.2431 20.8201 -65.2431 3.41146 GPRESSAVG: 1062600 10.5178 0.887313 17.7985 -2.11976 -27.3987 -64.6946 22.2447 -65.8495 3.28095 TIMING: 1062600 CPU: 3086.04, 0.00293863/step Wall: 3086.04, 0.00293863/step, 3.21405 hours remaining, 204.753906 MB of memory in use. ENERGY: 1062600 688.8591 2118.8900 1948.5938 114.2432 -205754.8086 17577.7656 0.0000 0.0000 34019.5048 -149286.9522 297.1008 -183306.4569 -149184.6368 298.3295 -155.8291 -122.9460 560050.5092 -4.5181 -4.5333 PRESSURE: 1062800 -314.978 236.494 -216.519 236.494 -122.017 -1.9906 -216.518 -1.98964 -325.039 GPRESSURE: 1062800 -280.485 201.418 -190.232 208.427 -116.796 -20.6732 -236.175 -8.24709 -267.385 PRESSAVG: 1062800 -23.7062 -34.633 -9.27626 -34.633 31.1532 -9.898 -9.27624 -9.89801 7.62406 GPRESSAVG: 1062800 -23.1794 -34.8146 -8.37906 -33.5978 31.0861 -10.2203 -10.9988 -7.64069 7.93671 TIMING: 1062800 CPU: 3086.63, 0.00292343/step Wall: 3086.63, 0.00292343/step, 3.19726 hours remaining, 204.753906 MB of memory in use. ENERGY: 1062800 776.2023 2036.3352 1948.1613 112.6419 -205930.8885 17500.9582 0.0000 0.0000 34540.7186 -149015.8711 301.6527 -183556.5896 -148928.1833 298.4824 -254.0114 -221.5556 559485.9422 5.0237 5.2811 PRESSURE: 1063000 -76.8692 75.1507 52.1133 75.1514 105.159 28.3975 52.1132 28.3989 -117.278 GPRESSURE: 1063000 0.835698 94.0645 16.4291 94.5662 92.3012 27.7768 63.8887 38.3366 -85.3472 PRESSAVG: 1063000 -85.8372 7.34938 -22.4859 7.34943 89.1592 10.3257 -22.4859 10.3257 -4.33996 GPRESSAVG: 1063000 -85.8027 7.08338 -21.8738 6.87757 89.9311 11.5904 -22.7049 9.61795 -5.19292 TIMING: 1063000 CPU: 3087.21, 0.00291987/step Wall: 3087.21, 0.00291987/step, 3.1932 hours remaining, 204.753906 MB of memory in use. ENERGY: 1063000 738.3629 2058.1404 1983.6556 108.1704 -205955.2251 17589.1618 0.0000 0.0000 34358.9707 -149118.7632 300.0654 -183477.7339 -149026.0226 299.6733 -29.6626 2.5966 556757.8493 -0.3393 -0.3548 PRESSURE: 1063200 -182.217 101.348 -16.7886 101.346 101.44 172.23 -16.7888 172.23 7.82064 GPRESSURE: 1063200 -116.735 87.9267 -51.5329 226.195 145.392 194.65 19.9409 162.127 0.805721 PRESSAVG: 1063200 -2.55028 -27.8607 12.6069 -27.8607 -9.64385 -19.6215 12.6069 -19.6214 10.2739 GPRESSAVG: 1063200 -2.08075 -28.8495 10.4324 -27.3994 -9.1403 -18.5982 13.6418 -22.5818 10.0872 TIMING: 1063200 CPU: 3087.8, 0.00293547/step Wall: 3087.8, 0.00293547/step, 3.2101 hours remaining, 204.753906 MB of memory in use. ENERGY: 1063200 769.2923 2032.5098 1971.9255 122.3243 -206316.8275 17804.2917 0.0000 0.0000 34356.9817 -149259.5022 300.0481 -183616.4839 -149170.9789 300.1034 -24.3188 9.8207 558024.3415 -0.6401 -0.3780 PRESSURE: 1063400 2.81792 48.0978 -138.218 48.0986 -17.6256 11.2743 -138.218 11.2749 138.408 GPRESSURE: 1063400 39.8843 122.917 18.9128 -79.9512 40.0576 29.6087 -178.089 18.6304 151.066 PRESSAVG: 1063400 30.3195 42.6992 57.0072 42.6992 -16.1196 3.924 57.0073 3.92413 -16.9724 GPRESSAVG: 1063400 30.81 42.6415 59.5216 41.3325 -17.7211 0.000169202 56.5743 6.05872 -15.7644 TIMING: 1063400 CPU: 3088.38, 0.00292074/step Wall: 3088.38, 0.00292074/step, 3.19383 hours remaining, 204.753906 MB of memory in use. ENERGY: 1063400 716.1253 2064.4201 1952.4858 117.9506 -205995.3563 17749.8309 0.0000 0.0000 34192.6049 -149201.9387 298.6125 -183394.5436 -149108.4241 298.9036 41.2002 77.0028 557799.9465 -0.9242 -0.8918 PRESSURE: 1063600 -121.41 -17.4859 -37.0561 -17.486 31.3521 -29.1121 -37.0553 -29.1109 -42.235 GPRESSURE: 1063600 -67.8224 -39.6657 -106.336 33.2427 7.38992 -47.665 -9.39497 -30.8655 32.5598 PRESSAVG: 1063600 49.533 6.4615 -33.5143 6.46148 -30.7698 12.2263 -33.5142 12.2265 -32.3897 GPRESSAVG: 1063600 48.7559 7.81847 -35.0017 7.5962 -30.5923 14.5036 -31.5664 11.4532 -32.0242 TIMING: 1063600 CPU: 3088.97, 0.00291747/step Wall: 3088.97, 0.00291747/step, 3.19009 hours remaining, 204.753906 MB of memory in use. ENERGY: 1063600 767.4877 2054.9971 1989.9548 115.4385 -206046.4081 17703.3951 0.0000 0.0000 34326.2853 -149088.8497 299.7800 -183415.1350 -148996.5626 299.1140 -44.0975 -9.2909 558077.9776 -4.5422 -4.6202 PRESSURE: 1063800 -382.063 -49.0351 4.98194 -49.0348 -34.583 182.984 4.98162 182.983 -192.299 GPRESSURE: 1063800 -329.928 -58.6951 82.5241 5.68483 -2.41143 124.867 23.5644 207.972 -173.543 PRESSAVG: 1063800 2.32025 -33.933 -6.63966 -33.933 -33.2608 2.74393 -6.63963 2.74394 40.3697 GPRESSAVG: 1063800 1.83011 -35.7743 -4.30551 -32.8574 -32.3144 1.57763 -8.84812 2.38892 39.7024 TIMING: 1063800 CPU: 3089.55, 0.002902/step Wall: 3089.55, 0.002902/step, 3.17301 hours remaining, 204.753906 MB of memory in use. ENERGY: 1063800 768.6258 2045.6146 1979.4197 102.5806 -206073.8093 17666.8880 0.0000 0.0000 34264.8190 -149245.8616 299.2432 -183510.6806 -149149.0276 300.3534 -202.9816 -168.6277 558650.2145 3.1431 3.0727 PRESSURE: 1064000 52.4896 4.8483 88.945 4.84881 52.8466 94.0725 88.9457 94.0723 36.7303 GPRESSURE: 1064000 128.885 -49.6514 72.9438 -52.9264 52.7529 69.5274 -2.71808 93.453 47.7527 PRESSAVG: 1064000 -12.6342 -10.2316 4.11035 -10.2316 43.0452 21.8131 4.11033 21.813 -16.9237 GPRESSAVG: 1064000 -10.9422 -10.7244 4.32918 -9.73272 41.8294 24.5961 4.58632 21.6056 -18.0991 TIMING: 1064000 CPU: 3090.13, 0.00290463/step Wall: 3090.13, 0.00290463/step, 3.17573 hours remaining, 204.753906 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: 1064000 727.3474 2050.5077 1964.3033 115.0617 -206295.5976 17863.9027 0.0000 0.0000 34394.7881 -149179.6867 300.3782 -183574.4748 -149082.4079 298.7952 47.3555 76.4637 557120.3138 4.4958 4.2627 PRESSURE: 1064200 15.6356 -89.0737 -22.2736 -89.0718 63.9272 -24.2797 -22.2726 -24.2803 157.896 GPRESSURE: 1064200 43.8625 -67.2633 4.69087 -103.406 101.969 -22.6519 -37.3184 9.71527 179.087 PRESSAVG: 1064200 18.0482 9.62203 -3.35822 9.62215 -65.7644 25.8811 -3.35826 25.8811 -17.9718 GPRESSAVG: 1064200 17.0409 10.6816 -4.31884 6.72091 -65.3045 24.7865 -3.26842 26.952 -17.7066 TIMING: 1064200 CPU: 3090.71, 0.00290952/step Wall: 3090.71, 0.00290952/step, 3.18091 hours remaining, 204.753906 MB of memory in use. ENERGY: 1064200 719.2424 2062.3569 1951.8444 124.1794 -206427.0758 18039.0694 0.0000 0.0000 34422.8908 -149107.4926 300.6237 -183530.3833 -149011.0873 299.2042 79.1530 108.3064 558118.4187 -21.8960 -21.9900 LDB: ============= START OF LOAD BALANCING ============== 3094.18 LDB: ============== END OF LOAD BALANCING =============== 3094.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3094.18 LDB: ============= START OF LOAD BALANCING ============== 3094.47 LDB: Largest compute 4820 load 0.027152 is 23.1% of average load 0.117783 LDB: Average compute 0.001734 is 1.5% of average load 0.117783 LDB: TIME 3094.47 LOAD: AVG 0.117783 MAX 0.180865 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.488 MB LDB: TIME 3094.47 LOAD: AVG 0.117783 MAX 0.180865 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.691 MB LDB: TIME 3094.47 LOAD: AVG 0.117783 MAX 0.180865 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.691 MB LDB: ============== END OF LOAD BALANCING =============== 3094.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3094.48 PRESSURE: 1064400 110.591 12.6669 -1.70833 12.6673 -0.82713 -70.5491 -1.70822 -70.549 -136.487 GPRESSURE: 1064400 152.466 -5.37909 18.0044 -34.9234 21.2128 -92.6114 -4.17815 -130.762 -132.094 PRESSAVG: 1064400 23.3449 -29.3777 7.61143 -29.3777 12.3037 17.1659 7.61144 17.1658 12.3221 GPRESSAVG: 1064400 23.2944 -31.8621 6.90266 -28.4658 11.7005 16.8319 8.99252 16.3566 12.8389 TIMING: 1064400 CPU: 3091.3, 0.00295687/step Wall: 3091.3, 0.00295687/step, 3.23252 hours remaining, 204.835938 MB of memory in use. ENERGY: 1064400 766.8403 2029.8633 1931.9954 121.1952 -205976.5269 17654.8202 0.0000 0.0000 34207.4063 -149264.4062 298.7418 -183471.8125 -149162.3017 299.4821 -8.9078 13.8617 557520.8935 15.9902 15.9446 PRESSURE: 1064600 -272.123 120.637 -15.1851 120.637 -161.378 -120.607 -15.1851 -120.606 -194.213 GPRESSURE: 1064600 -198.23 137.9 14.7198 31.6471 -137.178 -93.5439 59.972 -125.784 -210.762 PRESSAVG: 1064600 75.7139 17.3038 13.6451 17.3038 -32.5506 -16.9854 13.6451 -16.9853 -45.73 GPRESSAVG: 1064600 75.5655 20.7699 14.1427 16.2205 -32.0157 -18.2966 13.0164 -15.6745 -46.4246 TIMING: 1064600 CPU: 3091.88, 0.00291621/step Wall: 3091.88, 0.00291621/step, 3.1879 hours remaining, 204.835938 MB of memory in use. ENERGY: 1064600 737.6578 2108.7744 1967.8151 113.9143 -205893.9683 17543.9520 0.0000 0.0000 34343.1394 -149078.7153 299.9272 -183421.8547 -148989.6664 298.9469 -209.2380 -182.0568 558522.0542 -0.8556 -0.9582 PRESSURE: 1064800 164.724 17.5608 -57.9028 17.5594 324.219 203.322 -57.9046 203.322 68.0485 GPRESSURE: 1064800 197.921 31.9671 -48.745 -70.6917 386.617 273.794 -97.5867 152.502 80.0296 PRESSAVG: 1064800 2.11013 -31.9679 29.2732 -31.9679 60.1722 -18.6218 29.2731 -18.6218 -45.5648 GPRESSAVG: 1064800 1.54676 -33.8779 29.1398 -30.8572 60.0725 -17.4402 28.7466 -17.8526 -44.5561 TIMING: 1064800 CPU: 3092.47, 0.00291056/step Wall: 3092.47, 0.00291056/step, 3.18156 hours remaining, 205.019531 MB of memory in use. ENERGY: 1064800 753.1911 2069.7858 1928.2490 131.5554 -206393.5777 18079.2128 0.0000 0.0000 34450.2080 -148981.3756 300.8622 -183431.5836 -148881.4632 299.6077 185.6640 221.5224 557384.0598 5.5725 5.6877 PRESSURE: 1065000 -1.866 31.4944 74.2018 31.4929 -86.3881 -202.397 74.2015 -202.399 262.956 GPRESSURE: 1065000 64.3993 67.8732 89.7623 49.6939 -81.3505 -176.132 62.5845 -264.681 278.54 PRESSAVG: 1065000 -13.7766 -26.0098 69.2139 -26.0098 4.26086 15.2575 69.2139 15.2576 -67.3167 GPRESSAVG: 1065000 -13.4269 -24.3531 72.2661 -26.6539 4.66921 13.5741 67.4834 15.5899 -68.3618 TIMING: 1065000 CPU: 3093.05, 0.00291549/step Wall: 3093.05, 0.00291549/step, 3.18679 hours remaining, 205.019531 MB of memory in use. ENERGY: 1065000 729.2952 2104.2937 1964.9929 112.0450 -205833.1641 17659.7528 0.0000 0.0000 34130.1457 -149132.6388 298.0671 -183262.7844 -149041.5012 299.6825 58.2340 87.1961 557595.2200 -25.6108 -25.7065 PRESSURE: 1065200 114.591 -100.713 -88.0851 -100.714 -45.6989 -5.32769 -88.0846 -5.32855 -107.274 GPRESSURE: 1065200 166.874 -114.689 -67.8493 -72.8802 -4.56705 -121.224 -101.163 27.0837 -88.8081 PRESSAVG: 1065200 20.0637 16.0797 26.6377 16.0797 -1.22769 16.8788 26.6378 16.8787 -1.81329 GPRESSAVG: 1065200 21.0416 14.2751 24.8419 17.7643 -2.86588 15.3782 28.1691 15.6323 -0.316163 TIMING: 1065200 CPU: 3093.63, 0.00290094/step Wall: 3093.63, 0.00290094/step, 3.17072 hours remaining, 205.019531 MB of memory in use. ENERGY: 1065200 794.4102 2075.6569 1955.8046 115.6107 -206112.6993 17889.4197 0.0000 0.0000 34113.7271 -149168.0701 297.9237 -183281.7972 -149073.3876 299.6589 -12.7941 24.4995 557203.8330 5.6742 5.9532 PRESSURE: 1065400 -80.2704 36.9045 179.705 36.904 47.6106 -124.237 179.705 -124.237 -101.697 GPRESSURE: 1065400 -26.5472 41.8611 84.4029 79.4313 50.2282 -82.6577 174.341 -98.5101 -53.0563 PRESSAVG: 1065400 -19.3314 57.8703 -5.64473 57.8702 -43.5125 -10.932 -5.64466 -10.9319 75.2459 GPRESSAVG: 1065400 -18.9927 58.3012 -7.46321 56.3736 -41.9738 -8.25998 -6.17542 -9.38971 73.7078 TIMING: 1065400 CPU: 3094.21, 0.00288281/step Wall: 3094.21, 0.00288281/step, 3.15076 hours remaining, 205.019531 MB of memory in use. ENERGY: 1065400 738.7634 2076.9729 1970.4203 119.4725 -206346.9591 17776.3611 0.0000 0.0000 34423.0713 -149241.8977 300.6252 -183664.9689 -149149.3448 298.9723 -44.7855 -9.7917 556118.9999 4.1340 4.2471 PRESSURE: 1065600 -221.099 31.6988 82.4727 31.6995 -64.8925 109.62 82.4726 109.619 -17.6721 GPRESSURE: 1065600 -190.696 -86.2195 18.6337 92.7113 -18.5542 148.212 92.8549 49.228 8.21167 PRESSAVG: 1065600 -44.5089 17.1256 46.5097 17.1256 20.3046 22.5413 46.5096 22.5413 23.4702 GPRESSAVG: 1065600 -45.1632 17.7563 46.0513 16.4582 18.5848 21.999 47.152 21.5787 24.9765 TIMING: 1065600 CPU: 3094.79, 0.00289566/step Wall: 3094.79, 0.00289566/step, 3.16463 hours remaining, 205.019531 MB of memory in use. ENERGY: 1065600 739.0062 2137.3867 1940.8511 111.8480 -206294.2907 17718.8016 0.0000 0.0000 34243.5319 -149402.8652 299.0573 -183646.3971 -149304.6732 298.6945 -101.2212 -67.0129 557644.9022 -0.2447 -0.5340 PRESSURE: 1065800 179.923 2.92582 -36.1649 2.92595 -58.4857 -141.633 -36.1649 -141.634 150.397 GPRESSURE: 1065800 199.196 71.1215 -6.45291 -14.2218 -5.57666 -115.428 -80.8882 -131.51 179.468 PRESSAVG: 1065800 -20.6033 -7.1771 93.8938 -7.17704 33.4758 -33.7887 93.8938 -33.7887 -54.6943 GPRESSAVG: 1065800 -21.2292 -8.91724 95.7202 -3.89304 34.2082 -33.5728 93.8587 -33.29 -55.0342 TIMING: 1065800 CPU: 3095.37, 0.0028999/step Wall: 3095.37, 0.0028999/step, 3.16911 hours remaining, 205.019531 MB of memory in use. ENERGY: 1065800 759.1431 2080.7192 1959.2256 115.1552 -206623.5802 18102.5288 0.0000 0.0000 34165.4444 -149441.3640 298.3753 -183606.8083 -149337.9320 298.9184 90.6115 124.3622 556814.8669 -13.9406 -14.0184 PRESSURE: 1066000 -386.184 51.8207 33.6239 51.8215 -228.394 26.4214 33.6236 26.4224 -277.307 GPRESSURE: 1066000 -338.624 49.557 -9.55455 58.2273 -227.953 41.9121 131.826 32.0003 -236.822 PRESSAVG: 1066000 -4.2668 -51.3592 23.1622 -51.3593 -23.2626 -32.1252 23.1622 -32.1252 56.5596 GPRESSAVG: 1066000 -4.18119 -50.3194 22.4673 -53.198 -23.6296 -33.8047 22.4009 -31.3043 56.5778 TIMING: 1066000 CPU: 3095.95, 0.00291551/step Wall: 3095.95, 0.00291551/step, 3.186 hours remaining, 205.019531 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: 1066000 756.0958 2085.5214 1963.4597 115.7164 -206072.3772 17523.6259 0.0000 0.0000 34151.9703 -149475.9877 298.2577 -183627.9580 -149375.2065 298.6218 -297.2951 -267.7995 558504.1421 9.6767 9.5890 PRESSURE: 1066200 81.826 64.0874 -195.563 64.087 -190.839 -61.0297 -195.563 -61.0293 -65.5992 GPRESSURE: 1066200 83.0174 31.7938 -117.311 73.7071 -119.018 -81.3759 -159.14 -13.7762 -39.2279 PRESSAVG: 1066200 2.30106 -7.04084 37.7161 -7.04077 -10.6778 -9.71101 37.7162 -9.71101 -22.1184 GPRESSAVG: 1066200 2.03927 -6.91489 39.9722 -5.5366 -10.3865 -9.10996 36.8812 -10.3573 -21.7447 TIMING: 1066200 CPU: 3096.53, 0.00290749/step Wall: 3096.53, 0.00290749/step, 3.17708 hours remaining, 205.019531 MB of memory in use. ENERGY: 1066200 795.3305 2064.7971 1964.4449 126.3531 -206531.4297 17916.6479 0.0000 0.0000 34274.2507 -149389.6054 299.3256 -183663.8561 -149294.0717 299.3297 -58.2040 -25.0763 556119.7781 -10.1650 -10.0307 PRESSURE: 1066400 260.153 -36.2124 -57.4244 -36.2125 -27.7992 127.709 -57.4231 127.709 -114.381 GPRESSURE: 1066400 302.359 -15.2137 -65.2564 41.0178 -17.4359 100.11 -12.9629 70.2769 -58.778 PRESSAVG: 1066400 48.0662 -55.1031 30.9263 -55.1031 -6.23868 -52.1602 30.9265 -52.1601 -63.0665 GPRESSAVG: 1066400 47.2187 -56.624 29.3239 -55.64 -6.11977 -53.1141 30.6578 -52.3045 -62.4392 TIMING: 1066400 CPU: 3097.11, 0.00292352/step Wall: 3097.11, 0.00292352/step, 3.19443 hours remaining, 205.019531 MB of memory in use. ENERGY: 1066400 729.5425 2129.9282 1986.2454 125.1152 -206144.7195 17674.4217 0.0000 0.0000 34196.6858 -149302.7809 298.6482 -183499.4666 -149202.5367 299.0820 39.3244 75.3817 555961.4360 -7.0796 -7.1134 PRESSURE: 1066600 62.0144 -42.7139 -26.2114 -42.7123 -275.324 -87.7506 -26.2117 -87.7509 -112.359 GPRESSURE: 1066600 98.2375 -32.8813 10.58 -109.855 -230.985 -25.4385 -11.0108 -85.9111 -93.2737 PRESSAVG: 1066600 1.28482 -36.7415 69.4685 -36.7414 -27.7505 51.9264 69.4685 51.9263 48.2232 GPRESSAVG: 1066600 3.19422 -37.7724 68.7603 -36.7341 -28.8871 55.8042 69.7896 49.5708 47.2957 TIMING: 1066600 CPU: 3097.69, 0.00288752/step Wall: 3097.69, 0.00288752/step, 3.15494 hours remaining, 205.019531 MB of memory in use. ENERGY: 1066600 768.8941 2085.5112 1972.8069 107.8731 -205964.4793 17550.5195 0.0000 0.0000 34235.8796 -149242.9949 298.9905 -183478.8745 -149143.5128 299.0813 -108.5561 -75.3404 556207.5625 7.2525 7.2010 PRESSURE: 1066800 47.2821 -18.5409 31.2181 -18.5404 105.645 33.9361 31.2188 33.9368 89.0433 GPRESSURE: 1066800 115.352 -73.6629 37.7225 -51.5404 122.849 104.967 24.0935 -66.2146 107.469 PRESSAVG: 1066800 13.064 -32.7854 7.67319 -32.7853 14.6029 -8.47893 7.67322 -8.47888 9.10421 GPRESSAVG: 1066800 11.8364 -31.8109 5.85461 -34.1692 16.0593 -9.72051 9.50156 -5.75481 9.00164 TIMING: 1066800 CPU: 3098.27, 0.00290153/step Wall: 3098.27, 0.00290153/step, 3.17008 hours remaining, 205.019531 MB of memory in use. ENERGY: 1066800 728.2725 2151.6607 1952.0134 126.0370 -206010.5572 17710.3485 0.0000 0.0000 34020.9000 -149321.3251 297.1130 -183342.2251 -149224.0149 298.2257 80.6567 115.2233 556653.1630 12.2570 12.2991 PRESSURE: 1067000 -231.46 2.77902 -115.631 2.7779 22.562 -9.17097 -115.63 -9.16934 54.8705 GPRESSURE: 1067000 -181.373 14.6515 -142.119 -0.412706 32.3398 -34.6821 -48.1746 -13.9046 96.118 PRESSAVG: 1067000 -21.7596 30.2279 9.71454 30.2279 5.81242 22.7357 9.71459 22.7357 17.3855 GPRESSAVG: 1067000 -21.7905 31.0071 11.8489 31.9562 5.15925 21.456 9.54245 22.7739 18.3045 TIMING: 1067000 CPU: 3098.86, 0.00291908/step Wall: 3098.86, 0.00291908/step, 3.18909 hours remaining, 205.019531 MB of memory in use. ENERGY: 1067000 766.1654 2082.0958 1952.0550 119.6052 -206447.8931 17830.8009 0.0000 0.0000 34291.0241 -149406.1466 299.4720 -183697.1707 -149313.1782 298.9436 -51.3424 -17.6384 556842.3471 0.4794 0.5577 PRESSURE: 1067200 305.035 -136.194 31.3151 -136.195 -17.1318 -127.331 31.314 -127.33 -23.0156 GPRESSURE: 1067200 306.872 -72.8895 101.207 -217.104 38.0035 -118.138 12.8282 -235.205 16.9851 PRESSAVG: 1067200 13.8236 6.97877 -8.02596 6.97868 7.12987 -32.1773 -8.02612 -32.1773 12.6339 GPRESSAVG: 1067200 13.6142 3.86464 -6.72756 7.32891 8.37092 -31.7435 -9.51267 -33.4344 11.7223 TIMING: 1067200 CPU: 3099.44, 0.0029063/step Wall: 3099.44, 0.0029063/step, 3.17497 hours remaining, 205.019531 MB of memory in use. ENERGY: 1067200 725.6552 2063.7996 1976.4762 107.0515 -206194.5862 17799.0332 0.0000 0.0000 34219.7054 -149302.8650 298.8492 -183522.5704 -149205.5386 299.0617 88.2959 120.6202 556025.2173 11.1958 11.2358 PRESSURE: 1067400 -62.02 88.1681 -131.329 88.1672 -49.0873 98.8761 -131.33 98.8747 -21.4621 GPRESSURE: 1067400 -29.9571 123.736 -152.569 60.0825 -51.6918 155.021 -127.046 53.6511 34.8909 PRESSAVG: 1067400 32.4382 2.91233 4.57177 2.91233 -10.1848 26.2572 4.57176 26.2573 -26.4327 GPRESSAVG: 1067400 33.2786 5.80408 2.85288 2.46245 -10.6385 25.6006 5.27669 23.847 -26.4301 TIMING: 1067400 CPU: 3100.02, 0.00291675/step Wall: 3100.02, 0.00291675/step, 3.18622 hours remaining, 205.019531 MB of memory in use. ENERGY: 1067400 713.4939 2140.6547 1971.0899 105.2851 -206215.8924 17642.2454 0.0000 0.0000 34220.8033 -149422.3199 298.8588 -183643.1233 -149330.1269 299.7061 -44.1898 -15.5860 557179.8936 -1.3931 -1.2633 PRESSURE: 1067600 -187.553 9.92369 23.7237 9.92251 239.292 -25.7882 23.7237 -25.7887 -92.1311 GPRESSURE: 1067600 -149.784 -72.593 -9.81723 17.3378 252.253 -46.9475 -18.5893 12.0988 -36.1873 PRESSAVG: 1067600 -72.8052 -25.4909 -43.1198 -25.4909 65.8309 -8.32169 -43.1197 -8.32162 49.1255 GPRESSAVG: 1067600 -73.0293 -25.6419 -43.0134 -25.8643 65.662 -6.39878 -44.4003 -6.25168 49.804 TIMING: 1067600 CPU: 3100.6, 0.00291399/step Wall: 3100.6, 0.00291399/step, 3.18304 hours remaining, 205.019531 MB of memory in use. ENERGY: 1067600 732.7657 2179.0580 1977.9988 110.5573 -206092.6873 17829.2551 0.0000 0.0000 33983.9057 -149279.1467 296.7899 -183263.0524 -149191.5445 298.8661 -13.4642 22.0940 556662.1258 14.0504 14.1456 PRESSURE: 1067800 -26.316 -39.3011 41.7433 -39.3014 -172.223 32.3387 41.7432 32.3379 -181.662 GPRESSURE: 1067800 7.00744 -28.2896 100.969 -76.7576 -176.977 52.0605 95.9355 80.9973 -98.1325 PRESSAVG: 1067800 -31.6627 -74.515 -34.8952 -74.515 64.3125 70.7808 -34.8952 70.7807 -3.50643 GPRESSAVG: 1067800 -30.9362 -76.9229 -35.1465 -74.4104 64.392 68.1182 -32.8332 71.1145 -3.7586 TIMING: 1067800 CPU: 3101.18, 0.00290199/step Wall: 3101.18, 0.00290199/step, 3.16978 hours remaining, 205.019531 MB of memory in use. ENERGY: 1067800 729.2957 2065.2021 1969.4874 125.0758 -205943.8878 17509.7015 0.0000 0.0000 34373.8521 -149171.2732 300.1954 -183545.1252 -149071.2067 299.7420 -126.7334 -89.3674 556478.1482 9.7145 9.8991 PRESSURE: 1068000 -6.29221 209.038 -58.8714 209.037 -101.817 48.3853 -58.872 48.3853 28.8842 GPRESSURE: 1068000 16.4994 226.739 -74.0447 165.555 -81.2983 117.582 -16.8312 -35.9707 73.9487 PRESSAVG: 1068000 39.5572 22.9503 26.4143 22.9504 56.0936 13.8237 26.4143 13.8238 -57.8166 GPRESSAVG: 1068000 39.7107 24.5165 27.3214 23.6766 55.9353 14.7996 27.0565 12.0224 -57.2798 TIMING: 1068000 CPU: 3101.76, 0.00289761/step Wall: 3101.76, 0.00289761/step, 3.16483 hours remaining, 205.019531 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: 1068000 707.5425 2160.5796 1977.1397 130.8645 -205691.1997 17538.7470 0.0000 0.0000 34133.8238 -149042.5027 298.0992 -183176.3265 -148948.7266 299.6592 -26.4085 3.0499 557101.6375 12.6114 12.7887 PRESSURE: 1068200 -11.42 -9.90796 -149.021 -9.90756 -33.232 -5.80852 -149.021 -5.80861 -242.848 GPRESSURE: 1068200 27.3391 -40.9681 -201.125 -59.1414 -40.778 21.6625 -174.094 -15.386 -176.601 PRESSAVG: 1068200 33.8537 57.1626 10.4932 57.1626 8.69251 3.61833 10.4933 3.61847 -4.98168 GPRESSAVG: 1068200 33.8348 59.4129 8.21208 56.3131 8.71065 3.4984 9.30741 5.51365 -4.95958 TIMING: 1068200 CPU: 3102.35, 0.00290634/step Wall: 3102.35, 0.00290634/step, 3.1742 hours remaining, 205.019531 MB of memory in use. ENERGY: 1068200 741.6714 2015.9661 1963.3134 121.1916 -205804.0840 17616.7197 0.0000 0.0000 34136.0290 -149209.1927 298.1184 -183345.2217 -149114.4688 299.6323 -95.8335 -63.3468 556512.8740 12.5215 12.5286 LDB: ============= START OF LOAD BALANCING ============== 3105.81 LDB: ============== END OF LOAD BALANCING =============== 3105.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3105.81 LDB: ============= START OF LOAD BALANCING ============== 3106.11 LDB: Largest compute 4820 load 0.027458 is 23.4% of average load 0.117577 LDB: Average compute 0.001733 is 1.5% of average load 0.117577 LDB: TIME 3106.11 LOAD: AVG 0.117577 MAX 0.177781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 3106.11 LOAD: AVG 0.117577 MAX 0.177781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: TIME 3106.11 LOAD: AVG 0.117577 MAX 0.177781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: ============== END OF LOAD BALANCING =============== 3106.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 3106.11 Info: useSync: 0 useProxySync: 0 PRESSURE: 1068400 152.344 -225.083 -44.454 -225.082 -35.3524 -160.003 -44.4534 -160.005 272.753 GPRESSURE: 1068400 195.49 -183.973 -52.4843 -256.915 -33.5999 -183.969 42.3736 -131.553 327.406 PRESSAVG: 1068400 30.8587 -12.0264 -38.1419 -12.0265 -53.8573 35.3356 -38.1418 35.3355 7.89473 GPRESSAVG: 1068400 31.6024 -13.9817 -37.084 -12.6756 -54.325 35.1198 -38.7953 35.7078 7.71884 TIMING: 1068400 CPU: 3102.94, 0.00296943/step Wall: 3102.94, 0.00296943/step, 3.24294 hours remaining, 205.238281 MB of memory in use. ENERGY: 1068400 718.8476 2119.6410 1965.8343 130.1127 -206265.7137 17984.2694 0.0000 0.0000 34297.6920 -149049.3167 299.5303 -183347.0087 -148955.3038 298.8458 129.9149 163.0988 556192.2785 -5.0346 -5.0012 PRESSURE: 1068600 24.3823 189.037 141.73 189.038 -234.131 57.5312 141.732 57.5312 -205.392 GPRESSURE: 1068600 17.5676 187.5 89.6855 228.944 -205.895 -25.7217 147.485 58.8108 -136.303 PRESSAVG: 1068600 25.5488 -56.8581 29.7794 -56.8581 -71.9952 -1.36446 29.7793 -1.36444 41.1251 GPRESSAVG: 1068600 25.0986 -56.621 29.5808 -55.9641 -70.7314 -2.83008 29.8522 -2.49339 40.6284 TIMING: 1068600 CPU: 3103.52, 0.00291293/step Wall: 3103.52, 0.00291293/step, 3.18108 hours remaining, 205.421875 MB of memory in use. ENERGY: 1068600 730.9559 2109.9628 1958.3708 116.7115 -206179.4397 17565.0417 0.0000 0.0000 34474.3892 -149224.0078 301.0734 -183698.3970 -149130.0482 299.4993 -138.3803 -108.2103 557390.1131 -1.7738 -1.6681 PRESSURE: 1068800 -198.617 -144.863 163.61 -144.863 134.729 187.101 163.609 187.101 156.699 GPRESSURE: 1068800 -196.742 -172.499 211.678 -107.849 213.848 175.879 110.34 158.046 167.628 PRESSAVG: 1068800 -22.0513 -34.8332 65.7882 -34.8333 7.98779 -19.4108 65.7881 -19.4108 -25.8187 GPRESSAVG: 1068800 -21.5525 -36.6237 65.6982 -35.0003 7.03635 -19.1492 66.5635 -17.2186 -25.5489 TIMING: 1068800 CPU: 3104.1, 0.0028951/step Wall: 3104.1, 0.0028951/step, 3.16145 hours remaining, 205.511719 MB of memory in use. ENERGY: 1068800 741.8334 2100.8078 1986.2472 110.3802 -206136.2032 17866.7490 0.0000 0.0000 34101.4560 -149228.7295 297.8165 -183330.1855 -149133.1827 299.0523 30.9369 61.5781 556292.7338 -13.2941 -13.3550 PRESSURE: 1069000 -77.8305 23.5489 -59.9777 23.5474 -8.43286 42.9515 -59.9769 42.9508 -83.4485 GPRESSURE: 1069000 -36.0615 8.66015 -139.191 7.65521 5.57508 27.1817 -4.51203 -93.2559 -35.779 PRESSAVG: 1069000 15.8783 -38.386 2.28614 -38.386 -0.118546 -1.54091 2.28615 -1.54093 -13.9917 GPRESSAVG: 1069000 14.9979 -37.5635 1.51965 -37.6889 0.0296288 -0.9929 1.52883 -3.23527 -13.4504 TIMING: 1069000 CPU: 3104.68, 0.00289174/step Wall: 3104.68, 0.00289174/step, 3.15762 hours remaining, 205.511719 MB of memory in use. ENERGY: 1069000 767.0970 2053.6188 1937.4865 120.4165 -206111.5326 17810.5352 0.0000 0.0000 34336.8817 -149085.4970 299.8725 -183422.3787 -148984.5117 299.1350 -56.5706 -22.0885 557981.8162 0.5894 0.5257 PRESSURE: 1069200 -106.699 -126.066 56.1821 -126.065 118.692 45.2299 56.1822 45.231 -176.242 GPRESSURE: 1069200 -99.4225 -93.7782 21.8492 -56.6481 117.12 34.4326 60.559 100.419 -81.1904 PRESSAVG: 1069200 38.1221 -39.9554 31.7997 -39.9552 -33.7485 -16.9615 31.7996 -16.9616 -13.6106 GPRESSAVG: 1069200 38.5711 -37.5877 32.9823 -40.5403 -34.1196 -16.091 32.7948 -16.2418 -14.0898 TIMING: 1069200 CPU: 3105.26, 0.00291541/step Wall: 3105.26, 0.00291541/step, 3.18331 hours remaining, 205.511719 MB of memory in use. ENERGY: 1069200 756.3195 2045.8976 1977.9436 114.6700 -206069.9197 17789.7842 0.0000 0.0000 34227.1240 -149158.1808 298.9140 -183385.3048 -149066.0965 298.8702 -54.7497 -21.1643 557243.4679 -3.0790 -3.2128 PRESSURE: 1069400 127.571 182.6 -53.7447 182.601 -219.538 163.509 -53.7444 163.508 -39.8542 GPRESSURE: 1069400 156.369 215.935 -111.878 125.186 -184.768 79.1585 -70.3135 155.03 -13.0823 PRESSAVG: 1069400 28.773 -17.3922 25.4467 -17.3921 -19.7645 -10.0502 25.4467 -10.0502 5.38758 GPRESSAVG: 1069400 28.5975 -18.648 26.0174 -17.7103 -20.0993 -10.9758 22.6417 -10.8565 5.67161 TIMING: 1069400 CPU: 3105.84, 0.00290296/step Wall: 3105.84, 0.00290296/step, 3.16955 hours remaining, 205.511719 MB of memory in use. ENERGY: 1069400 761.9899 2045.9716 1971.9665 105.4022 -206317.4977 17841.7054 0.0000 0.0000 34621.7818 -148968.6803 302.3606 -183590.4621 -148874.0496 299.6606 -43.9401 -13.8273 558506.5033 4.7987 4.7232 PRESSURE: 1069600 198.07 -248.858 50.3611 -248.858 117.159 -7.17637 50.3613 -7.17669 -51.6395 GPRESSURE: 1069600 197.992 -186.117 51.8259 -236.408 116.976 24.9721 -20.891 4.32998 42.316 PRESSAVG: 1069600 107.067 29.4248 34.1465 29.4248 -19.6401 -23.2015 34.1464 -23.2013 -40.6379 GPRESSAVG: 1069600 106.909 27.8826 32.6486 30.0821 -19.585 -23.2726 36.4467 -20.9923 -40.6698 TIMING: 1069600 CPU: 3106.43, 0.00291259/step Wall: 3106.43, 0.00291259/step, 3.1799 hours remaining, 205.511719 MB of memory in use. ENERGY: 1069600 741.6278 2060.2791 1962.3319 114.8318 -205988.1373 17947.7676 0.0000 0.0000 34200.2477 -148961.0514 298.6793 -183161.2991 -148868.8453 299.8731 87.8634 119.0944 556970.5057 15.5964 15.5515 PRESSURE: 1069800 -9.24346 -121.887 -180.421 -121.888 205.454 -69.8652 -180.422 -69.8641 77.7546 GPRESSURE: 1069800 43.1191 -96.5699 -130.086 -75.2824 182.65 -65.1728 -210.169 -58.3243 138.091 PRESSAVG: 1069800 -22.3942 -20.907 -32.5272 -20.907 74.2982 -8.11488 -32.5273 -8.11489 -33.8657 GPRESSAVG: 1069800 -21.8444 -20.2526 -31.9427 -20.4647 73.9684 -7.54251 -32.6297 -8.52747 -34.6715 TIMING: 1069800 CPU: 3107.01, 0.00291445/step Wall: 3107.01, 0.00291445/step, 3.18177 hours remaining, 205.511719 MB of memory in use. ENERGY: 1069800 756.4479 2096.2894 1973.4983 119.1445 -206190.5014 18077.1767 0.0000 0.0000 34322.4384 -148845.5061 299.7464 -183167.9445 -148758.0207 299.4619 91.3216 121.2867 558124.9821 6.0128 5.8175 PRESSURE: 1070000 -62.3523 81.0069 32.0896 81.0073 1.14414 5.78823 32.0904 5.79024 39.328 GPRESSURE: 1070000 19.0807 112.609 25.5224 31.5903 -16.5686 45.162 25.3297 0.123841 89.6983 PRESSAVG: 1070000 -29.196 52.9409 -7.48109 52.9408 20.0589 -3.38736 -7.4811 -3.3874 21.1066 GPRESSAVG: 1070000 -28.8118 54.9864 -7.27685 51.8798 20.0298 -3.48931 -8.73196 -4 20.7365 TIMING: 1070000 CPU: 3107.59, 0.00291698/step Wall: 3107.59, 0.00291698/step, 3.18437 hours remaining, 205.511719 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: 1070000 752.1709 2023.7305 1972.5857 108.0059 -205992.7934 17906.0956 0.0000 0.0000 34461.6016 -148768.6033 300.9617 -183230.2048 -148672.5542 299.8873 -7.2934 30.7368 559550.4696 3.9898 3.9848 PRESSURE: 1070200 58.1662 54.8323 90.4373 54.8331 -96.8117 -67.6024 90.437 -67.6032 196.7 GPRESSURE: 1070200 59.3678 126.391 63.3561 12.3057 -63.8088 -120.236 71.0351 -55.1472 261.271 PRESSAVG: 1070200 30.7623 -21.4965 21.4704 -21.4964 -51.014 39.0728 21.4704 39.0729 42.8696 GPRESSAVG: 1070200 30.3648 -21.5293 21.9858 -22.163 -51.6878 39.0566 22.6809 36.6379 43.6221 TIMING: 1070200 CPU: 3108.17, 0.0028929/step Wall: 3108.17, 0.0028929/step, 3.15792 hours remaining, 205.511719 MB of memory in use. ENERGY: 1070200 711.7539 2100.8436 1951.6834 105.1488 -206263.2106 18036.8753 0.0000 0.0000 34505.5921 -148851.3135 301.3459 -183356.9056 -148755.9327 300.6472 52.6850 85.6098 559045.4946 7.5393 7.4330 PRESSURE: 1070400 -40.9722 -162.883 -76.6097 -162.882 -35.9183 -73.6889 -76.6096 -73.6883 50.9129 GPRESSURE: 1070400 -25.1 -152.909 -120.546 -147.492 12.0901 73.9907 -55.5171 -170.088 90.2701 PRESSAVG: 1070400 14.0041 8.53031 1.29157 8.53038 -44.1883 -15.5667 1.29158 -15.5666 63.55 GPRESSAVG: 1070400 13.348 7.50725 0.480847 10.7256 -43.4958 -15.6203 -0.961345 -14.0383 63.2672 TIMING: 1070400 CPU: 3108.75, 0.00291337/step Wall: 3108.75, 0.00291337/step, 3.1801 hours remaining, 205.511719 MB of memory in use. ENERGY: 1070400 740.3412 2095.9776 1962.9392 115.0729 -206121.8299 17863.8799 0.0000 0.0000 34575.4846 -148768.1345 301.9563 -183343.6191 -148665.6740 300.4636 -8.6592 25.7534 558092.9324 11.1219 11.0398 PRESSURE: 1070600 -86.3947 39.7006 163.475 39.7027 -14.3257 -39.5811 163.477 -39.5789 125.365 GPRESSURE: 1070600 13.5789 84.6365 109.415 -8.82956 -20.5763 -81.5561 116.707 38.503 125.301 PRESSAVG: 1070600 -11.0232 11.8256 -7.87485 11.8257 -40.1911 -59.8979 -7.87481 -59.898 -0.118646 GPRESSAVG: 1070600 -10.1656 11.2916 -6.69408 10.8137 -40.2909 -62.1705 -6.25218 -59.0885 -0.587277 TIMING: 1070600 CPU: 3109.33, 0.00290142/step Wall: 3109.33, 0.00290142/step, 3.1669 hours remaining, 205.511719 MB of memory in use. ENERGY: 1070600 773.2605 2030.0427 1956.8170 103.3827 -205811.7329 17635.4788 0.0000 0.0000 34436.0966 -148876.6546 300.7390 -183312.7512 -148780.4966 300.8329 8.2148 39.4346 557327.2860 -17.1110 -17.0146 PRESSURE: 1070800 -28.7098 46.7838 96.6718 46.7834 -62.3153 59.146 96.6728 59.1476 -371.845 GPRESSURE: 1070800 -29.755 14.7558 80.4134 79.5949 -13.1287 42.9782 120.303 51.3948 -311 PRESSAVG: 1070800 14.2967 13.0572 2.67446 13.0572 2.5403 61.6397 2.67449 61.6396 -59.5974 GPRESSAVG: 1070800 14.0072 14.8896 3.96485 12.15 3.46741 63.7499 3.07755 61.8796 -59.7914 TIMING: 1070800 CPU: 3109.92, 0.00292058/step Wall: 3109.92, 0.00292057/step, 3.18764 hours remaining, 205.511719 MB of memory in use. ENERGY: 1070800 732.1088 2026.9035 1946.3841 112.7793 -205788.0139 17637.3311 0.0000 0.0000 34409.6185 -148922.8886 300.5078 -183332.5071 -148816.9632 299.9185 -154.2899 -117.9613 558177.7737 -14.2535 -14.1056 PRESSURE: 1071000 -223.766 87.5159 -64.7322 87.5158 -103.404 -130.639 -64.7314 -130.639 -246.825 GPRESSURE: 1071000 -191.313 41.9989 77.9559 138.001 -92.5121 -155.217 -122.661 -97.9519 -202.935 PRESSAVG: 1071000 32.9416 35.579 -10.1674 35.579 -55.55 15.5726 -10.1674 15.5725 21.1501 GPRESSAVG: 1071000 32.4738 35.2017 -10.888 34.1628 -56.5804 15.3377 -9.94509 17.1964 22.3583 TIMING: 1071000 CPU: 3110.49, 0.00288557/step Wall: 3110.49, 0.00288558/step, 3.14929 hours remaining, 205.511719 MB of memory in use. ENERGY: 1071000 746.2377 2070.8147 1961.7470 119.3906 -205831.5709 17614.7251 0.0000 0.0000 34397.6249 -148921.0309 300.4030 -183318.6558 -148823.9185 300.4596 -191.3317 -162.2533 557699.0412 -0.4861 -0.5828 PRESSURE: 1071200 -230.398 138.834 -74.8639 138.834 251.571 -158.034 -74.8624 -158.035 41.0197 GPRESSURE: 1071200 -200.103 165.579 -101.91 11.9432 239.692 -201.925 -57.0532 -35.9661 113.444 PRESSAVG: 1071200 50.459 15.9505 -10.8365 15.9503 -10.3997 -66.7798 -10.8365 -66.7798 -1.33204 GPRESSAVG: 1071200 51.1795 14.4437 -12.7072 17.212 -10.6943 -67.1097 -12.1932 -67.6386 -1.88183 TIMING: 1071200 CPU: 3111.08, 0.002905/step Wall: 3111.08, 0.002905/step, 3.17032 hours remaining, 205.511719 MB of memory in use. ENERGY: 1071200 735.4500 2084.2168 1939.8098 122.0503 -206030.9723 17770.5962 0.0000 0.0000 34354.9622 -149023.8870 300.0304 -183378.8493 -148930.4343 299.9961 20.7308 51.0109 556973.9838 12.9091 12.8678 PRESSURE: 1071400 130.408 -19.0083 128.762 -19.0082 -137.086 -124.19 128.762 -124.192 -120.082 GPRESSURE: 1071400 171.664 -19.7686 178.649 3.49649 -93.1739 -97.0325 91.1798 -144.199 -111.132 PRESSAVG: 1071400 -57.777 42.4427 -41.2226 42.4427 1.87865 -10.1254 -41.2226 -10.1254 31.5862 GPRESSAVG: 1071400 -58.0182 42.589 -39.8991 45.2666 2.67991 -8.98827 -40.4226 -9.58098 30.9727 TIMING: 1071400 CPU: 3111.65, 0.00288473/step Wall: 3111.65, 0.00288473/step, 3.14804 hours remaining, 205.511719 MB of memory in use. ENERGY: 1071400 749.9967 2086.6445 1952.3524 122.8297 -205991.6949 17708.8364 0.0000 0.0000 34271.2274 -149099.8078 299.2992 -183371.0352 -148998.8322 299.5435 -42.2533 -10.8807 557673.5149 -8.1040 -8.1219 PRESSURE: 1071600 -224.058 17.4182 75.1042 17.4181 -21.7767 -31.3279 75.1036 -31.3285 -134.149 GPRESSURE: 1071600 -176.166 -49.2162 92.4193 118.647 -34.1334 -34.0008 107.812 -88.4577 -80.0564 PRESSAVG: 1071600 19.0619 -17.1067 22.114 -17.1067 -64.271 -69.1228 22.114 -69.1229 69.8827 GPRESSAVG: 1071600 19.8308 -16.7919 19.9545 -18.3004 -64.6066 -72.713 21.6257 -69.8717 69.0052 TIMING: 1071600 CPU: 3112.23, 0.00290028/step Wall: 3112.23, 0.00290028/step, 3.16485 hours remaining, 205.511719 MB of memory in use. ENERGY: 1071600 751.3528 2122.6159 1954.6243 130.3322 -205507.0782 17441.5020 0.0000 0.0000 34133.1945 -148973.4565 298.0937 -183106.6510 -148882.9474 299.3849 -126.6612 -96.7854 556434.2665 8.2245 8.0765 PRESSURE: 1071800 -69.7537 -37.9634 9.4184 -37.9629 -398.641 -118.525 9.41882 -118.525 -181.724 GPRESSURE: 1071800 -47.6153 -32.9238 -44.5058 38.8786 -332.44 -143.249 85.3024 -106.098 -181.954 PRESSAVG: 1071800 -64.6024 67.8744 -36.3611 67.8744 24.4131 0.98779 -36.3611 0.987771 48.6071 GPRESSAVG: 1071800 -65.0123 69.8602 -35.5431 67.4648 23.5153 5.06066 -35.2091 -0.0381341 50.0223 TIMING: 1071800 CPU: 3112.81, 0.00290609/step Wall: 3112.81, 0.00290609/step, 3.17103 hours remaining, 205.511719 MB of memory in use. ENERGY: 1071800 721.6461 2121.1898 1970.7444 119.2285 -205568.9087 17215.6500 0.0000 0.0000 34510.1422 -148910.3078 301.3857 -183420.4500 -148812.0808 299.9743 -216.7064 -187.3364 558196.0651 2.8059 2.8418 PRESSURE: 1072000 -154.293 -85.175 62.9589 -85.1735 188.495 -16.6005 62.9598 -16.6009 292.949 GPRESSURE: 1072000 -161.923 -14.6335 83.2442 -150.834 268.037 -7.00237 64.3487 82.1765 314.124 PRESSAVG: 1072000 34.2545 54.9313 2.52664 54.9313 5.48675 35.1643 2.52656 35.1641 -19.7472 GPRESSAVG: 1072000 33.923 54.3667 0.252629 55.3554 6.84178 34.4156 2.3104 34.5001 -20.5605 TIMING: 1072000 CPU: 3113.4, 0.00291774/step Wall: 3113.4, 0.00291774/step, 3.18357 hours remaining, 205.511719 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: 1072000 756.2072 2056.2376 1984.6672 105.8018 -206040.2461 17944.0812 0.0000 0.0000 34304.3034 -148888.9476 299.5880 -183193.2510 -148789.1288 299.2823 109.0502 140.0792 557837.1915 6.6647 6.7348 PRESSURE: 1072200 46.3518 -63.0104 -43.2865 -63.0096 -367.493 78.4203 -43.2849 78.4201 43.7189 GPRESSURE: 1072200 63.1226 -118.127 -54.037 -28.1977 -361.093 85.3621 -85.996 71.098 120.898 PRESSAVG: 1072200 8.72051 -66.5243 -14.6329 -66.5243 29.0838 59.5874 -14.6329 59.5874 3.43001 GPRESSAVG: 1072200 7.36556 -68.2653 -10.3475 -65.6087 29.0648 60.7107 -16.089 59.0128 4.86138 TIMING: 1072200 CPU: 3113.98, 0.00290818/step Wall: 3113.98, 0.00290818/step, 3.17299 hours remaining, 205.511719 MB of memory in use. ENERGY: 1072200 781.4022 2092.9871 1945.6347 109.9770 -206068.4925 17750.5020 0.0000 0.0000 34598.3639 -148789.6255 302.1561 -183387.9895 -148687.1622 300.3820 -92.4742 -59.0242 557563.7407 13.7448 13.7639 LDB: ============= START OF LOAD BALANCING ============== 3117.45 LDB: ============== END OF LOAD BALANCING =============== 3117.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3117.45 LDB: ============= START OF LOAD BALANCING ============== 3117.74 LDB: Largest compute 4820 load 0.028609 is 24.3% of average load 0.117589 LDB: Average compute 0.001733 is 1.5% of average load 0.117589 LDB: TIME 3117.74 LOAD: AVG 0.117589 MAX 0.181385 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.316 MB LDB: TIME 3117.74 LOAD: AVG 0.117589 MAX 0.181385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: TIME 3117.74 LOAD: AVG 0.117589 MAX 0.181385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3117.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3117.75 PRESSURE: 1072400 47.2923 -101.708 -12.1141 -101.708 -198.655 78.9985 -12.1133 79.0004 -254.491 GPRESSURE: 1072400 55.9287 -62.3391 14.748 -129.997 -139.095 69.5918 -55.7466 70.8863 -208.763 PRESSAVG: 1072400 59.5162 -31.7863 -18.8426 -31.7862 -31.8278 63.8334 -18.8426 63.8334 -3.04668 GPRESSAVG: 1072400 61.1988 -31.3601 -18.4876 -32.676 -31.9759 62.3046 -19.8061 65.3286 -5.14703 TIMING: 1072400 CPU: 3114.57, 0.002979/step Wall: 3114.57, 0.002979/step, 3.25009 hours remaining, 204.566406 MB of memory in use. ENERGY: 1072400 769.2050 2101.5583 1972.1125 105.2747 -205809.4671 17604.3915 0.0000 0.0000 34256.0495 -149000.8757 299.1666 -183256.9251 -148901.9646 300.1770 -135.2844 -97.3096 558484.3974 8.2139 8.0253 PRESSURE: 1072600 -155.271 227.988 -115.11 227.987 -106.153 37.5149 -115.11 37.5154 -355.337 GPRESSURE: 1072600 -138.045 286.972 -188.235 147.195 -61.1707 116.15 -71.0213 7.10915 -316.632 PRESSAVG: 1072600 10.6283 -18.5183 -32.5224 -18.5183 7.75399 15.1323 -32.5224 15.1323 -27.5819 GPRESSAVG: 1072600 10.3906 -18.8436 -34.9376 -17.3836 7.5972 13.2174 -30.4927 15.7448 -27.3215 TIMING: 1072600 CPU: 3115.16, 0.0029254/step Wall: 3115.16, 0.0029254/step, 3.19145 hours remaining, 204.605469 MB of memory in use. ENERGY: 1072600 779.2642 2112.5229 1923.4146 101.2213 -205698.5443 17397.5115 0.0000 0.0000 34486.5946 -148898.0151 301.1800 -183384.6097 -148798.8678 299.7074 -205.5871 -171.9492 558812.1731 -3.0665 -3.1112 PRESSURE: 1072800 -151.2 49.7079 -135.059 49.7088 -204.345 -124.991 -135.06 -124.992 -73.2047 GPRESSURE: 1072800 -147.451 88.6355 -180.451 108.98 -147.808 -120.118 -67.2289 -53.5784 -38.7352 PRESSAVG: 1072800 -36.9881 -33.4605 -1.41501 -33.4605 3.29234 -25.7055 -1.41501 -25.7056 36.3599 GPRESSAVG: 1072800 -38.7735 -33.5675 -0.164241 -36.0567 3.90954 -23.0714 -1.71629 -24.9785 37.2287 TIMING: 1072800 CPU: 3115.74, 0.00290872/step Wall: 3115.74, 0.00290872/step, 3.1731 hours remaining, 204.605469 MB of memory in use. ENERGY: 1072800 772.7156 2071.0407 1945.3207 117.9482 -205748.4322 17513.9720 0.0000 0.0000 34380.1815 -148947.2536 300.2507 -183327.4351 -148846.3034 300.2978 -142.9166 -111.3315 557750.6904 0.8881 0.7882 PRESSURE: 1073000 68.5762 224.536 -15.3511 224.537 -244.368 -112 -15.3517 -112.001 -2.88039 GPRESSURE: 1073000 87.1634 213.482 -34.788 273.485 -201.571 -35.6762 23.8837 -66.0859 20.6939 PRESSAVG: 1073000 -41.5475 -4.29793 -50.5175 -4.29781 -2.23008 -48.9071 -50.5175 -48.9071 45.0396 GPRESSAVG: 1073000 -40.2615 -3.57137 -52.0521 -2.28099 -2.93692 -48.3639 -51.3044 -50.5315 43.9592 TIMING: 1073000 CPU: 3116.32, 0.00291451/step Wall: 3116.32, 0.00291451/step, 3.17925 hours remaining, 204.605469 MB of memory in use. ENERGY: 1073000 768.7662 2065.7462 1965.6525 100.7400 -205777.9083 17629.5163 0.0000 0.0000 34049.1779 -149198.3091 297.3599 -183247.4870 -149103.3346 299.5461 -59.5574 -31.2379 557850.9339 0.4207 0.2536 PRESSURE: 1073200 29.162 37.1169 -110.439 37.1171 272.251 -109.418 -110.44 -109.417 -78.9694 GPRESSURE: 1073200 54.5529 34.1641 -97.7059 -55.9188 267.183 -128.481 -90.6291 -113.812 4.96197 PRESSAVG: 1073200 -6.41802 47.1648 -39.9568 47.1648 -36.5334 -95.4896 -39.9568 -95.4896 -0.664173 GPRESSAVG: 1073200 -6.8965 44.8638 -40.3516 48.2724 -36.4987 -96.5981 -37.472 -94.1636 -0.401846 TIMING: 1073200 CPU: 3116.9, 0.00289771/step Wall: 3116.9, 0.00289771/step, 3.16076 hours remaining, 204.605469 MB of memory in use. ENERGY: 1073200 740.1702 2090.2018 1995.3453 117.7883 -206439.4302 17972.7377 0.0000 0.0000 34244.5884 -149278.5985 299.0665 -183523.1869 -149186.7060 299.5497 74.1480 108.8992 556789.8251 -14.5385 -14.5990 PRESSURE: 1073400 -156.754 84.6316 167.428 84.6306 -56.5021 -18.7653 167.428 -18.7656 -150.123 GPRESSURE: 1073400 -145.479 39.1192 222.748 103.145 7.93739 13.3354 110.183 -1.17799 -116.942 PRESSAVG: 1073400 42.8692 24.9032 -8.32657 24.9032 -29.1895 23.9237 -8.32645 23.9237 -3.73699 GPRESSAVG: 1073400 41.6683 27.208 -7.90313 22.1098 -28.9865 21.8915 -8.03132 23.4759 -2.56927 TIMING: 1073400 CPU: 3117.49, 0.00291107/step Wall: 3117.49, 0.00291107/step, 3.17517 hours remaining, 204.667969 MB of memory in use. ENERGY: 1073400 717.4936 2089.8052 1981.5126 126.1947 -205960.9894 17574.5784 0.0000 0.0000 34201.3939 -149270.0111 298.6893 -183471.4049 -149157.9751 299.9425 -121.1265 -84.8281 556687.6226 3.3142 3.3708 PRESSURE: 1073600 -27.9837 -133.959 59.5257 -133.958 15.6543 -29.5185 59.5263 -29.5194 63.2648 GPRESSURE: 1073600 -11.8426 -83.6319 18.0773 -121.169 71.9563 -98.6413 33.8418 -109.293 101.188 PRESSAVG: 1073600 -43.1658 -21.2019 4.82904 -21.202 23.7105 5.6286 4.82909 5.62865 35.2104 GPRESSAVG: 1073600 -41.712 -20.2645 5.2134 -18.5237 23.0753 4.81634 1.85235 5.5999 34.3066 TIMING: 1073600 CPU: 3118.07, 0.00291373/step Wall: 3118.07, 0.00291373/step, 3.17791 hours remaining, 204.667969 MB of memory in use. ENERGY: 1073600 758.3420 2087.8089 1945.0752 105.0638 -206499.8938 17949.8309 0.0000 0.0000 34527.6691 -149126.1040 301.5387 -183653.7732 -149024.0357 299.6768 16.9785 53.7671 556637.0093 5.2517 5.2233 PRESSURE: 1073800 121.534 -23.7728 124.662 -23.7726 -10.5889 63.6607 124.661 63.6608 95.4839 GPRESSURE: 1073800 206.811 -68.6367 189.535 -1.13882 6.64038 24.109 46.9276 47.784 73.4021 PRESSAVG: 1073800 -23.5354 17.2916 -4.52339 17.2915 -54.8531 -10.5322 -4.52338 -10.5322 25.237 GPRESSAVG: 1073800 -24.7865 15.7718 -4.23365 16.8506 -53.9684 -9.85434 -4.40407 -10.1694 25.7262 TIMING: 1073800 CPU: 3118.65, 0.00290707/step Wall: 3118.65, 0.00290707/step, 3.17048 hours remaining, 204.667969 MB of memory in use. ENERGY: 1073800 739.9599 2071.1573 1964.3307 115.8718 -206009.3741 17774.5317 0.0000 0.0000 34184.9400 -149158.5827 298.5456 -183343.5228 -149062.6759 299.7369 68.8096 95.6179 556676.1559 -17.7172 -17.6762 PRESSURE: 1074000 -61.402 -10.677 86.9754 -10.677 -46.0143 23.2559 86.9746 23.2547 27.7757 GPRESSURE: 1074000 40.5816 37.804 16.918 -27.7679 -12.0581 -78.8764 150.913 130.001 -1.29197 PRESSAVG: 1074000 31.2716 58.8415 52.4829 58.8416 14.7476 4.36751 52.4829 4.36748 -63.8862 GPRESSAVG: 1074000 33.7339 58.8294 51.3185 58.3688 13.9342 4.26097 56.0792 3.43245 -65.5911 TIMING: 1074000 CPU: 3119.23, 0.00289228/step Wall: 3119.23, 0.00289228/step, 3.1542 hours remaining, 204.703125 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: 1074000 801.8511 2115.4602 1957.1099 95.4765 -206286.2805 17937.3296 0.0000 0.0000 34259.9306 -149119.1226 299.2005 -183379.0532 -149031.8943 299.8472 -26.5469 9.0772 556240.6526 -5.9557 -5.9743 PRESSURE: 1074200 493.166 -159.397 -15.3844 -159.397 36.2193 -96.2088 -15.3858 -96.2085 156.607 GPRESSURE: 1074200 471.975 -200.022 103.084 -179.348 82.5358 -109.153 -36.2425 -83.1639 220.459 PRESSAVG: 1074200 79.9318 -24.3468 30.7853 -24.3468 12.4311 -24.0292 30.7853 -24.0294 -63.469 GPRESSAVG: 1074200 77.9133 -24.6823 32.9309 -23.8064 13.3847 -23.5628 27.9176 -24.2948 -63.2781 TIMING: 1074200 CPU: 3119.81, 0.00289275/step Wall: 3119.81, 0.00289275/step, 3.15455 hours remaining, 204.703125 MB of memory in use. ENERGY: 1074200 711.4800 2131.3461 1958.0669 112.6061 -206477.6255 18094.0739 0.0000 0.0000 34297.5545 -149172.4981 299.5291 -183470.0525 -149083.9112 299.5953 228.6642 258.3236 555996.6752 9.6313 9.3400 PRESSURE: 1074400 -425.901 41.9963 208.945 41.9958 -233.662 -118.714 208.944 -118.714 15.6459 GPRESSURE: 1074400 -376.457 37.879 162.525 39.7642 -174.571 -145.384 305.609 -101.295 18.795 PRESSAVG: 1074400 -82.1702 10.0411 -26.1861 10.041 47.9031 34.8713 -26.1861 34.8713 20.7359 GPRESSAVG: 1074400 -81.4401 11.1533 -28.602 8.92665 46.3914 35.6691 -23.7899 35.3632 21.1852 TIMING: 1074400 CPU: 3120.39, 0.00290107/step Wall: 3120.39, 0.00290107/step, 3.16345 hours remaining, 204.703125 MB of memory in use. ENERGY: 1074400 758.3732 2053.9392 1963.8883 119.6377 -205829.9029 17427.8542 0.0000 0.0000 34244.5511 -149261.6593 299.0662 -183506.2104 -149157.6977 298.9668 -214.6390 -177.4111 557529.0407 -4.5104 -4.6212 PRESSURE: 1074600 43.9057 191.541 54.4891 191.541 24.4816 14.7594 54.488 14.7608 134.499 GPRESSURE: 1074600 69.2172 163.626 20.8795 264.008 81.2909 -24.488 80.7955 -70.0882 143.918 PRESSAVG: 1074600 -57.0899 19.411 7.72972 19.4109 59.4138 16.2149 7.72964 16.2149 10.4353 GPRESSAVG: 1074600 -58.3946 19.9729 9.55289 21.3199 60.0591 15.7765 4.35462 16.7956 11.0588 TIMING: 1074600 CPU: 3120.97, 0.00291102/step Wall: 3120.97, 0.00291102/step, 3.17414 hours remaining, 204.753906 MB of memory in use. ENERGY: 1074600 738.5343 2072.5433 1969.6326 123.5901 -206152.7278 17806.2603 0.0000 0.0000 34047.6024 -149394.5647 297.3462 -183442.1671 -149299.4540 298.3440 67.6288 98.1419 555062.4347 4.2531 4.2411 PRESSURE: 1074800 -7.14217 30.6724 -84.763 30.6735 63.6939 -44.0325 -84.7629 -44.0336 -85.1759 GPRESSURE: 1074800 -35.3811 84.3147 -20.9084 14.0186 110.366 -89.4513 -95.4478 -41.3732 3.58465 PRESSAVG: 1074800 64.39 7.88881 -60.0853 7.88868 22.8092 -69.915 -60.0853 -69.915 -41.4955 GPRESSAVG: 1074800 64.8305 8.33584 -57.5896 8.3644 22.1485 -68.1064 -60.8982 -71.8901 -41.1894 TIMING: 1074800 CPU: 3121.55, 0.00292288/step Wall: 3121.55, 0.00292288/step, 3.18691 hours remaining, 204.753906 MB of memory in use. ENERGY: 1074800 749.2565 2049.6127 1980.9748 109.9651 -206522.3489 17924.3056 0.0000 0.0000 34385.0638 -149323.1704 300.2933 -183708.2342 -149226.0417 298.7177 -9.5414 26.1899 556149.9475 15.2346 15.2632 PRESSURE: 1075000 37.5004 3.69789 102.142 3.69749 117.876 49.3959 102.143 49.3967 62.2871 GPRESSURE: 1075000 59.8787 10.4601 112.588 -11.5695 168.343 -35.11 101.434 151.885 75.5069 PRESSAVG: 1075000 -37.9109 11.5994 8.39024 11.5995 -5.14998 3.39826 8.39029 3.39826 40.3631 GPRESSAVG: 1075000 -37.1401 12.2946 6.89049 9.685 -4.44845 5.58892 9.73366 3.20561 38.6694 TIMING: 1075000 CPU: 3122.14, 0.00292668/step Wall: 3122.14, 0.00292668/step, 3.1909 hours remaining, 204.753906 MB of memory in use. ENERGY: 1075000 770.4314 2045.8978 1974.5454 116.3101 -206603.5508 18136.3521 0.0000 0.0000 34265.9413 -149294.0726 299.2530 -183560.0139 -149190.8067 298.4294 72.5547 101.2427 557021.1550 -0.8992 -0.9730 PRESSURE: 1075200 -31.4879 21.2326 136.13 21.2316 97.5247 -24.5054 136.131 -24.5046 127.327 GPRESSURE: 1075200 -23.2368 0.491029 134.123 10.8762 200.341 -36.109 113.562 92.6821 113.822 PRESSAVG: 1075200 39.3866 -5.09144 -0.836716 -5.09142 34.0366 -47.8567 -0.836796 -47.8567 -71.4234 GPRESSAVG: 1075200 37.9266 -5.96613 -0.699254 -5.73372 33.6687 -51.9222 -0.67351 -43.6047 -69.5792 TIMING: 1075200 CPU: 3122.73, 0.00294535/step Wall: 3122.73, 0.00294535/step, 3.21109 hours remaining, 204.753906 MB of memory in use. ENERGY: 1075200 730.9821 2155.4581 1981.8904 104.5741 -206631.1505 18059.7689 0.0000 0.0000 34256.5651 -149341.9118 299.1711 -183598.4769 -149249.0848 298.5212 64.4544 96.9753 556970.9395 0.6666 0.6720 PRESSURE: 1075400 8.69564 -95.4397 -5.93024 -95.438 57.1417 18.0121 -5.92967 18.0116 6.26055 GPRESSURE: 1075400 37.6968 -39.4617 17.0879 10.7885 106.685 16.3613 -38.1185 -23.8549 30.608 PRESSAVG: 1075400 -7.25469 -15.5117 13.7505 -15.5118 5.54707 -55.8486 13.7505 -55.8486 -10.0487 GPRESSAVG: 1075400 -5.74953 -15.0919 13.6029 -15.4333 5.47969 -55.0141 13.9689 -58.3219 -11.8364 TIMING: 1075400 CPU: 3123.31, 0.00291587/step Wall: 3123.31, 0.00291587/step, 3.17878 hours remaining, 204.753906 MB of memory in use. ENERGY: 1075400 736.0944 2071.9886 1980.5814 108.8666 -206140.9592 17762.1256 0.0000 0.0000 34157.0004 -149324.3022 298.3016 -183481.3026 -149240.3305 299.1673 24.0326 58.3298 556749.5017 -3.9188 -4.0354 PRESSURE: 1075600 -277.821 -133.272 168.889 -133.27 81.6174 -19.2881 168.89 -19.2854 -5.21531 GPRESSURE: 1075600 -292.718 -78.2736 88.4816 -146.641 180.373 -48.7693 227.937 -46.8896 2.7456 PRESSAVG: 1075600 12.217 -18.5599 10.661 -18.5598 17.607 0.63474 10.661 0.634766 19.7526 GPRESSAVG: 1075600 12.575 -18.3287 8.52947 -17.6591 16.8759 1.63298 10.6223 0.696207 20.0134 TIMING: 1075600 CPU: 3123.9, 0.00292649/step Wall: 3123.9, 0.00292649/step, 3.1902 hours remaining, 204.753906 MB of memory in use. ENERGY: 1075600 739.4722 2108.1782 1967.2416 114.7574 -206278.2445 17716.8485 0.0000 0.0000 34324.6294 -149307.1173 299.7655 -183631.7467 -149218.0129 299.3721 -67.1396 -36.5332 556056.7563 16.5255 16.4881 PRESSURE: 1075800 103.31 -45.6101 -189.877 -45.6103 182.853 -60.7302 -189.878 -60.7291 156.299 GPRESSURE: 1075800 134.26 -89.4408 -253.659 -41.13 201.623 -104.522 -115.506 -56.8521 188.614 PRESSAVG: 1075800 -87.5518 29.9005 -15.3695 29.9005 51.6435 -23.3439 -15.3696 -23.3439 35.732 GPRESSAVG: 1075800 -88.3252 28.7746 -14.9446 30.3471 52.0132 -23.8008 -15.1655 -23.928 35.815 TIMING: 1075800 CPU: 3124.48, 0.00293088/step Wall: 3124.48, 0.00293088/step, 3.19482 hours remaining, 204.753906 MB of memory in use. ENERGY: 1075800 714.6573 2159.4687 1989.7163 114.6980 -206690.1855 18054.7015 0.0000 0.0000 34337.5801 -149319.3636 299.8786 -183656.9437 -149224.4519 298.7808 147.4876 174.8323 555774.2948 -0.0588 -0.1657 PRESSURE: 1076000 -231.187 92.492 -50.5533 92.4925 -159.177 -7.94698 -50.5544 -7.94609 -19.284 GPRESSURE: 1076000 -242.315 209.169 -110.554 57.7412 -117.782 -73.6273 -39.5575 52.6868 43.4458 PRESSAVG: 1076000 20.2026 26.2909 0.289483 26.2909 -8.24816 -64.3223 0.289428 -64.3222 22.4107 GPRESSAVG: 1076000 20.703 27.9177 2.03782 26.1279 -8.89115 -66.4871 0.715858 -63.7847 22.2344 TIMING: 1076000 CPU: 3125.06, 0.00290868/step Wall: 3125.06, 0.00290868/step, 3.17046 hours remaining, 204.753906 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: 1076000 737.3180 2070.0787 1981.1198 112.2193 -205918.3997 17608.8320 0.0000 0.0000 34106.1983 -149302.6337 297.8579 -183408.8320 -149207.6029 299.5240 -136.5491 -105.5501 557617.7017 11.4550 11.3487 PRESSURE: 1076200 -195.81 -73.9794 177.143 -73.9799 -228.243 -12.3591 177.143 -12.3606 10.9999 GPRESSURE: 1076200 -155.114 -42.4364 154.708 -148.061 -217.298 -27.3516 163.65 -105.471 51.0576 PRESSAVG: 1076200 36.9003 74.5599 -46.1137 74.5599 -44.2543 -6.38894 -46.1137 -6.38895 -1.67108 GPRESSAVG: 1076200 36.567 75.4254 -48.4906 73.7974 -44.7916 -3.6446 -45.9757 -8.26683 -1.4141 TIMING: 1076200 CPU: 3125.65, 0.0029225/step Wall: 3125.65, 0.0029225/step, 3.18537 hours remaining, 204.753906 MB of memory in use. ENERGY: 1076200 750.7288 2054.5389 1958.4527 118.8827 -205970.8354 17553.8896 0.0000 0.0000 34401.2950 -149133.0477 300.4351 -183534.3427 -149037.2842 299.3257 -137.6842 -107.1182 557329.4697 -3.0084 -3.2129 LDB: ============= START OF LOAD BALANCING ============== 3129.12 LDB: ============== END OF LOAD BALANCING =============== 3129.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3129.12 LDB: ============= START OF LOAD BALANCING ============== 3129.41 LDB: Largest compute 4820 load 0.027783 is 23.6% of average load 0.117693 LDB: Average compute 0.001733 is 1.5% of average load 0.117693 LDB: TIME 3129.42 LOAD: AVG 0.117693 MAX 0.180461 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.402 MB LDB: TIME 3129.42 LOAD: AVG 0.117693 MAX 0.180461 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.605 MB LDB: TIME 3129.42 LOAD: AVG 0.117693 MAX 0.180461 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3129.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3129.42 PRESSURE: 1076400 61.6221 -123.076 56.6778 -123.078 54.236 -100.593 56.6797 -100.592 -32.9183 GPRESSURE: 1076400 37.0747 -93.8957 -1.07906 -193.789 108.743 -137.647 145.714 -28.7387 27.7765 PRESSAVG: 1076400 49.3662 36.0193 26.122 36.0193 6.27233 30.9882 26.1221 30.9882 -45.8245 GPRESSAVG: 1076400 48.2841 33.445 26.7924 38.4711 8.24635 30.2454 25.7245 31.3146 -46.7229 TIMING: 1076400 CPU: 3126.25, 0.00298721/step Wall: 3126.25, 0.00298721/step, 3.25572 hours remaining, 202.656250 MB of memory in use. ENERGY: 1076400 743.9763 2099.1215 1966.7191 124.7384 -206131.7148 17835.1713 0.0000 0.0000 34215.4502 -149146.5379 298.8120 -183361.9881 -149052.2708 299.4772 27.6466 57.8646 557007.8345 3.2713 3.2692 PRESSURE: 1076600 -172.595 -77.8517 69.545 -77.8516 -27.7721 85.4129 69.5452 85.4117 76.0875 GPRESSURE: 1076600 -141.375 -61.378 148.433 25.9436 -3.29073 106.58 70.3531 42.5624 112.706 PRESSAVG: 1076600 30.2122 41.7682 -6.64244 41.7681 -30.5374 29.0243 -6.64245 29.0243 0.0524958 GPRESSAVG: 1076600 31.7063 44.7669 -6.96118 38.0895 -33.0776 29.5601 -5.53644 29.5357 1.13486 TIMING: 1076600 CPU: 3126.83, 0.00289903/step Wall: 3126.83, 0.00289903/step, 3.15946 hours remaining, 202.656250 MB of memory in use. ENERGY: 1076600 710.5894 2167.1778 1977.1309 113.9154 -206161.2469 17681.8352 0.0000 0.0000 34264.8714 -149245.7268 299.2436 -183510.5982 -149144.5914 299.1906 -41.4265 -10.6532 556582.9965 -0.0909 -0.0788 PRESSURE: 1076800 233.536 69.2191 -98.1752 69.2198 -280.39 26.989 -98.176 26.9886 266.008 GPRESSURE: 1076800 284.407 99.9342 -100.584 66.5041 -256.179 6.26551 -90.1991 24.8135 281.489 PRESSAVG: 1076800 31.8498 29.4559 14.2154 29.4559 -56.3763 8.78875 14.2155 8.78856 14.522 GPRESSAVG: 1076800 31.5267 27.2575 13.0225 31.3539 -55.6038 6.93469 15.2974 8.60617 14.0073 TIMING: 1076800 CPU: 3127.4, 0.00288356/step Wall: 3127.4, 0.00288356/step, 3.14244 hours remaining, 202.656250 MB of memory in use. ENERGY: 1076800 734.7295 2093.9982 1958.2062 118.1940 -206543.1169 18077.5038 0.0000 0.0000 34337.6736 -149222.8116 299.8794 -183560.4852 -149124.3596 298.9131 73.0513 103.2390 557464.9742 -3.3349 -3.3566 PRESSURE: 1077000 -171.392 -75.5328 15.6337 -75.5324 -273.251 -53.5496 15.6337 -53.551 225.202 GPRESSURE: 1077000 -136.057 -45.7999 -46.3996 -59.4541 -250.243 -70.4723 74.5538 -63.3716 259.186 PRESSAVG: 1077000 2.33737 11.4755 -23.7181 11.4755 -27.8506 3.51241 -23.718 3.51235 39.0816 GPRESSAVG: 1077000 2.96646 11.8523 -21.4029 10.5746 -28.0303 3.36119 -26.1521 3.30451 38.5627 TIMING: 1077000 CPU: 3127.99, 0.00292074/step Wall: 3127.99, 0.00292074/step, 3.18279 hours remaining, 202.656250 MB of memory in use. ENERGY: 1077000 742.5122 2138.2227 1945.9716 111.8885 -206389.1384 17843.0282 0.0000 0.0000 34281.6564 -149325.8588 299.3902 -183607.5152 -149224.4938 298.6651 -73.1470 -42.3713 558413.1118 4.5228 4.4996 PRESSURE: 1077200 74.1663 -61.6212 32.8374 -61.6217 -294.186 -2.63861 32.8388 -2.63929 -24.963 GPRESSURE: 1077200 116.22 -13.9324 60.1926 -41.5821 -276.733 -33.9843 17.2783 54.9876 25.0449 PRESSAVG: 1077200 39.2024 2.21867 12.1622 2.21867 -100.523 -22.3873 12.1623 -22.3873 63.851 GPRESSAVG: 1077200 39.4741 0.321794 10.4761 3.51849 -100.555 -21.9549 12.541 -24.0372 63.9985 TIMING: 1077200 CPU: 3128.56, 0.00288524/step Wall: 3128.56, 0.00288524/step, 3.14395 hours remaining, 202.656250 MB of memory in use. ENERGY: 1077200 756.3763 2066.1030 1966.5083 120.1457 -206105.0922 17857.4197 0.0000 0.0000 34234.0211 -149104.5180 298.9742 -183338.5391 -149012.9943 298.9722 -81.6610 -45.1558 559331.3031 0.8435 0.9724 PRESSURE: 1077400 -190.073 136.448 23.4281 136.447 -392.253 232.766 23.4305 232.766 103.076 GPRESSURE: 1077400 -120.652 45.1915 40.0709 163.329 -334.553 335.336 126.451 210.753 82.1668 PRESSAVG: 1077400 10.978 -9.29465 12.9082 -9.29469 -38.8943 34.4906 12.9083 34.4907 6.62217 GPRESSAVG: 1077400 10.9347 -8.44285 12.6934 -8.30485 -39.3442 35.2671 11.7419 34.4678 7.76985 TIMING: 1077400 CPU: 3129.15, 0.00291483/step Wall: 3129.15, 0.00291483/step, 3.17603 hours remaining, 202.656250 MB of memory in use. ENERGY: 1077400 738.7600 2128.5675 1972.1483 113.4169 -205873.0158 17490.7813 0.0000 0.0000 34344.3360 -149085.0058 299.9376 -183429.3418 -148979.5267 299.6585 -159.7498 -124.3459 558325.9792 -7.0981 -6.8799 PRESSURE: 1077600 62.5185 -112.351 79.6695 -112.352 -57.0508 11.3382 79.6689 11.3393 -45.415 GPRESSURE: 1077600 48.7057 -88.5456 158.753 -20.6249 12.1594 79.2013 112.076 18.1501 -3.49463 PRESSAVG: 1077600 -15.2105 28.3862 37.731 28.3862 -43.936 24.5548 37.7311 24.5549 22.6633 GPRESSAVG: 1077600 -16.0852 29.2286 39.338 26.6014 -42.4636 23.2978 39.1222 26.9615 21.8851 TIMING: 1077600 CPU: 3129.73, 0.00288842/step Wall: 3129.73, 0.00288841/step, 3.14709 hours remaining, 202.933594 MB of memory in use. ENERGY: 1077600 742.5442 2028.6826 1983.4930 102.3954 -206283.7735 17965.6462 0.0000 0.0000 34226.4174 -149234.5946 298.9078 -183461.0120 -149145.4158 299.3387 -13.3158 19.1235 558607.6129 -12.1611 -12.2212 PRESSURE: 1077800 -183.522 175.459 -87.7497 175.458 -84.4193 169.946 -87.7485 169.945 127.488 GPRESSURE: 1077800 -193.927 174.267 -79.0325 163.189 -66.464 191.144 -84.6604 205.791 229.04 PRESSAVG: 1077800 -27.8588 -37.776 31.8889 -37.7761 44.1826 -57 31.8889 -57 22.7544 GPRESSAVG: 1077800 -28.0005 -39.222 31.9017 -35.5233 43.5338 -57.1747 32.2089 -59.0454 24.1271 TIMING: 1077800 CPU: 3130.31, 0.0029076/step Wall: 3130.31, 0.0029076/step, 3.16783 hours remaining, 202.933594 MB of memory in use. ENERGY: 1077800 783.8199 2134.7378 1978.0177 115.1205 -206523.7531 17920.8427 0.0000 0.0000 34373.0022 -149218.2124 300.1880 -183591.2145 -149126.9619 299.3649 -46.8176 -10.4505 558259.7675 13.0261 13.2202 PRESSURE: 1078000 -108.992 -73.4948 -34.316 -73.4945 -168.218 41.6571 -34.3166 41.656 25.8647 GPRESSURE: 1078000 -129.447 -147.973 36.7064 37.6703 -104.342 -20.3859 -172.221 22.5339 84.5877 PRESSAVG: 1078000 -70.4372 20.0854 12.8117 20.0854 -39.854 34.5657 12.8117 34.5657 74.584 GPRESSAVG: 1078000 -69.0639 23.2753 11.7866 17.7894 -40.5246 33.0574 11.8153 35.4457 73.9486 TIMING: 1078000 CPU: 3130.89, 0.00292158/step Wall: 3130.89, 0.00292158/step, 3.1829 hours remaining, 202.933594 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: 1078000 778.9933 2060.3154 1998.8477 108.6091 -206364.5027 17783.7468 0.0000 0.0000 34189.3506 -149444.6398 298.5841 -183633.9903 -149345.6248 298.7541 -83.7817 -49.7339 558054.3507 -11.9024 -11.8800 PRESSURE: 1078200 13.9082 -117.094 63.0031 -117.095 291.98 -52.6547 63.004 -52.6557 -109.874 GPRESSURE: 1078200 68.5377 -95.6385 102.609 -214.735 335.27 -31.2326 126.429 -4.66604 -119.547 PRESSAVG: 1078200 -54.585 9.66529 -8.39443 9.66519 -17.7681 -43.6541 -8.39444 -43.6542 34.4799 GPRESSAVG: 1078200 -54.9921 7.7464 -6.95096 10.9943 -17.269 -41.5329 -6.42571 -44.3051 33.5405 TIMING: 1078200 CPU: 3131.47, 0.00291306/step Wall: 3131.47, 0.00291306/step, 3.17345 hours remaining, 202.933594 MB of memory in use. ENERGY: 1078200 784.6187 2121.4287 1977.9555 127.6880 -206505.4842 17836.1890 0.0000 0.0000 34133.2353 -149524.3690 298.0940 -183657.6043 -149437.3653 298.3658 65.3381 94.7538 556477.9313 -12.6244 -12.9069 PRESSURE: 1078400 87.6387 34.2125 -108.646 34.2136 -83.6117 -31.7978 -108.646 -31.795 -193.569 GPRESSURE: 1078400 84.2321 88.3462 -102.2 -3.78032 -4.82495 -37.9883 -60.1338 -39.51 -157.283 PRESSAVG: 1078400 -40.3444 7.21985 77.9915 7.21991 -18.325 -7.94166 77.9916 -7.94165 21.8122 GPRESSAVG: 1078400 -39.5079 6.70378 76.5152 7.64177 -17.9733 -10.1164 77.1069 -7.14179 20.7087 TIMING: 1078400 CPU: 3132.06, 0.0029277/step Wall: 3132.06, 0.0029277/step, 3.18924 hours remaining, 202.933594 MB of memory in use. ENERGY: 1078400 757.7102 2153.4939 1997.5804 120.4883 -206583.4637 17858.4479 0.0000 0.0000 34201.6170 -149494.1261 298.6912 -183695.7431 -149393.1406 298.6336 -63.1807 -25.9587 558472.6438 -12.2857 -12.2575 PRESSURE: 1078600 -89.5941 103.317 -68.8889 103.316 130.606 -14.2326 -68.8899 -14.2336 102.946 GPRESSURE: 1078600 -63.1089 103.471 -28.2047 86.5259 169.497 34.1709 -59.3459 -16.1724 138.221 PRESSAVG: 1078600 22.565 0.746976 -45.8231 0.74692 26.1871 -16.9664 -45.823 -16.9665 -24.5866 GPRESSAVG: 1078600 21.7925 -0.297222 -43.0163 -1.32277 24.5531 -14.9571 -45.6636 -17.5252 -22.4052 TIMING: 1078600 CPU: 3132.64, 0.00291477/step Wall: 3132.64, 0.00291477/step, 3.17499 hours remaining, 202.933594 MB of memory in use. ENERGY: 1078600 726.8571 2073.9656 1961.4219 118.5302 -206572.2132 17945.0696 0.0000 0.0000 34258.6303 -149487.7385 299.1891 -183746.3688 -149386.5432 299.2734 47.9861 81.5363 557586.1303 8.0552 7.9802 PRESSURE: 1078800 -227.589 -146.545 -3.18331 -146.546 -159.702 -57.0377 -3.18369 -57.0382 -23.2447 GPRESSURE: 1078800 -168.702 -99.0823 -49.1086 -119.607 -80.5803 -13.4398 7.32318 -50.1596 -62.4411 PRESSAVG: 1078800 16.37 -38.4121 9.70172 -38.4121 38.3585 -16.9487 9.70165 -16.9485 -19.7653 GPRESSAVG: 1078800 15.532 -35.7849 7.36939 -38.2941 38.7238 -18.5431 11.6105 -16.9212 -18.8694 TIMING: 1078800 CPU: 3133.22, 0.0028986/step Wall: 3133.22, 0.0028986/step, 3.15722 hours remaining, 202.933594 MB of memory in use. ENERGY: 1078800 750.4195 2094.4619 1959.5068 121.4213 -206404.4090 17684.0008 0.0000 0.0000 34314.9325 -149479.6663 299.6808 -183794.5987 -149388.4764 298.9358 -136.8452 -103.9077 555922.3651 11.6544 11.7954 PRESSURE: 1079000 -155.778 -37.1925 49.4495 -37.1912 -171.996 -193.412 49.4502 -193.411 -140.56 GPRESSURE: 1079000 -71.8499 -54.0465 38.6847 -32.7933 -135.704 -227.21 31.5256 -131.455 -164.137 PRESSAVG: 1079000 -18.1566 -14.9719 -31.7563 -14.9718 72.0248 -54.5562 -31.7562 -54.556 -24.6636 GPRESSAVG: 1079000 -18.0516 -16.3218 -31.3847 -14.3461 72.3422 -54.1062 -33.5086 -53.4937 -25.2412 TIMING: 1079000 CPU: 3133.8, 0.00288958/step Wall: 3133.8, 0.00288958/step, 3.14724 hours remaining, 202.933594 MB of memory in use. ENERGY: 1079000 781.9252 2109.3152 1946.5213 116.3939 -206367.0363 17812.9682 0.0000 0.0000 34116.5672 -149483.3454 297.9485 -183599.9126 -149392.6997 298.5040 -156.1112 -123.8970 558212.8891 9.7349 9.6831 PRESSURE: 1079200 -159.409 52.6255 41.0345 52.6238 174.731 196.728 41.0345 196.728 115.549 GPRESSURE: 1079200 -96.9115 12.4835 19.0948 55.1228 236.943 190.333 13.4022 190.581 103.524 PRESSAVG: 1079200 26.6937 -2.47619 10.7044 -2.47622 -38.5411 36.5383 10.7044 36.5383 -8.0381 GPRESSAVG: 1079200 28.1052 -2.63685 11.5039 -1.76878 -39.8969 37.2428 10.5554 35.0067 -7.93176 TIMING: 1079200 CPU: 3134.38, 0.00288979/step Wall: 3134.38, 0.00288979/step, 3.1473 hours remaining, 202.933594 MB of memory in use. ENERGY: 1079200 726.1151 2139.7017 1931.3416 123.4197 -206486.1595 17918.5012 0.0000 0.0000 34169.4607 -149477.6194 298.4104 -183647.0801 -149376.9467 299.3230 43.6234 81.1853 556979.6332 -6.6285 -6.5745 PRESSURE: 1079400 -137.07 -33.2561 146.118 -33.2562 -149.696 -92.9528 146.117 -92.9529 100.195 GPRESSURE: 1079400 -126.047 -69.2865 107.336 24.7014 -111.911 -169.27 199.205 -77.64 144.922 PRESSAVG: 1079400 -23.6031 -28.7674 49.8944 -28.7675 -18.6662 18.4607 49.8944 18.4607 85.8209 GPRESSAVG: 1079400 -24.3591 -29.2019 50.5841 -29.9264 -17.3901 17.7514 50.0121 18.923 85.006 TIMING: 1079400 CPU: 3134.96, 0.0028883/step Wall: 3134.96, 0.0028883/step, 3.14552 hours remaining, 202.933594 MB of memory in use. ENERGY: 1079400 734.1869 2051.3766 1958.5519 114.6898 -206223.5679 17779.0860 0.0000 0.0000 34056.7384 -149528.9382 297.4260 -183585.6766 -149423.3805 298.8379 -62.1900 -31.0121 557902.5058 14.5172 14.4189 PRESSURE: 1079600 -31.7176 113.534 13.3056 113.535 -171.817 12.5428 13.3064 12.5427 -85.7688 GPRESSURE: 1079600 36.8054 102.93 0.766783 134.777 -146.099 -45.1932 -15.5947 17.4764 -77.0048 PRESSAVG: 1079600 8.09995 69.7004 19.3918 69.7004 -22.1324 18.8309 19.3918 18.8309 55.8692 GPRESSAVG: 1079600 8.87037 73.509 19.1528 68.484 -21.393 18.7068 20.1335 19.1692 54.9266 TIMING: 1079600 CPU: 3135.53, 0.00288716/step Wall: 3135.53, 0.00288716/step, 3.14412 hours remaining, 202.933594 MB of memory in use. ENERGY: 1079600 721.7809 2096.1612 1979.4114 127.5400 -206450.6302 17790.7370 0.0000 0.0000 34265.9473 -149469.0525 299.2530 -183734.9998 -149368.3525 297.8494 -96.4344 -62.0994 557566.9255 13.9456 14.1347 PRESSURE: 1079800 -288.738 74.8021 53.7469 74.8038 -188.318 2.26383 53.7477 2.2633 -104.05 GPRESSURE: 1079800 -255.813 138.124 50.7006 80.9334 -153.892 -8.01216 33.9929 19.8796 -65.2817 PRESSAVG: 1079800 52.1822 44.6753 -78.3155 44.6753 -95.3051 4.94046 -78.3154 4.94049 6.75862 GPRESSAVG: 1079800 52.1174 42.2291 -80.8771 46.7398 -95.6244 3.79028 -78.4224 4.9368 7.14022 TIMING: 1079800 CPU: 3136.11, 0.00290369/step Wall: 3136.11, 0.00290369/step, 3.16196 hours remaining, 202.933594 MB of memory in use. ENERGY: 1079800 800.1994 2168.9636 1938.3972 125.8000 -206488.5483 17785.6460 0.0000 0.0000 34088.2903 -149581.2517 297.7015 -183669.5420 -149487.7258 298.2264 -193.7021 -158.3289 558665.5464 -12.1214 -12.1223 PRESSURE: 1080000 -150.045 108.831 -21.7569 108.833 14.153 39.8782 -21.7555 39.8784 157.487 GPRESSURE: 1080000 -54.1331 157.646 -1.83268 64.3632 15.6551 -87.9522 -10.5733 139.403 158.559 PRESSAVG: 1080000 67.5286 53.9994 -4.34786 53.9994 -99.1999 -38.9647 -4.34786 -38.9648 34.115 GPRESSAVG: 1080000 67.3877 54.1622 -1.22811 52.4801 -99.7309 -36.993 -4.61897 -39.9325 34.9481 TIMING: 1080000 CPU: 3136.69, 0.00288229/step Wall: 3136.69, 0.00288229/step, 3.1385 hours remaining, 202.933594 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: 1080000 732.3361 2151.1425 1965.6981 109.7078 -206967.5948 18114.8904 0.0000 0.0000 34141.4611 -149752.3587 298.1659 -183893.8199 -149658.2470 298.7816 7.1982 40.0271 558920.7752 0.8146 0.8683 PRESSURE: 1080200 -178.31 68.732 53.6355 68.7324 -167.468 40.7965 53.6353 40.7954 -255.622 GPRESSURE: 1080200 -132.796 128.714 25.4063 43.036 -118.457 33.1308 84.8288 57.3184 -250.352 PRESSAVG: 1080200 25.5639 38.9801 -21.36 38.98 -32.8578 71.5122 -21.36 71.5122 14.6058 GPRESSAVG: 1080200 25.6817 38.3343 -23.7032 40.3067 -32.8947 70.323 -20.2568 72.4406 14.6795 TIMING: 1080200 CPU: 3137.27, 0.00288412/step Wall: 3137.27, 0.00288412/step, 3.14032 hours remaining, 202.933594 MB of memory in use. ENERGY: 1080200 778.8387 2072.9347 1968.0770 96.8237 -206363.1579 17703.8196 0.0000 0.0000 33929.5924 -149813.0719 296.3156 -183742.6643 -149721.5157 297.1685 -200.4668 -167.2017 559140.5896 2.4373 2.4888 LDB: ============= START OF LOAD BALANCING ============== 3140.73 LDB: ============== END OF LOAD BALANCING =============== 3140.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3140.74 LDB: ============= START OF LOAD BALANCING ============== 3141.02 LDB: Largest compute 4855 load 0.026726 is 22.7% of average load 0.117644 LDB: Average compute 0.001732 is 1.5% of average load 0.117644 LDB: TIME 3141.03 LOAD: AVG 0.117644 MAX 0.177672 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.68 MB LDB: TIME 3141.03 LOAD: AVG 0.117644 MAX 0.177672 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: TIME 3141.03 LOAD: AVG 0.117644 MAX 0.177672 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.68 MB LDB: ============== END OF LOAD BALANCING =============== 3141.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3141.03 PRESSURE: 1080400 -227.259 -32.8213 -48.8276 -32.8206 -25.8212 -2.13679 -48.8275 -2.13652 177.932 GPRESSURE: 1080400 -154.165 8.91618 -114.32 -105.736 -24.8923 23.9888 68.2028 -1.66872 207.214 PRESSAVG: 1080400 17.4438 16.5242 -17.4998 16.5242 9.02107 25.8177 -17.4999 25.8177 4.17778 GPRESSAVG: 1080400 16.0207 16.344 -15.4727 15.7599 9.46838 25.0257 -19.0612 26.5022 5.06004 TIMING: 1080400 CPU: 3137.86, 0.00294749/step Wall: 3137.86, 0.00294749/step, 3.20916 hours remaining, 203.652344 MB of memory in use. ENERGY: 1080400 739.5928 2125.5145 1981.3771 119.7181 -206755.3671 17875.3471 0.0000 0.0000 34090.3484 -149823.4692 297.7195 -183913.8176 -149726.2855 297.1406 -25.0492 9.3855 557277.9524 10.2142 10.1830 PRESSURE: 1080600 74.3762 -138.151 -11.4416 -138.152 44.9597 46.772 -11.4413 46.7717 -216.368 GPRESSURE: 1080600 30.6063 -106.941 48.4346 -208.692 106.812 43.2222 53.2484 88.3822 -144.055 PRESSAVG: 1080600 31.0478 5.23999 -25.7714 5.23998 -41.8006 11.6486 -25.7712 11.6487 -10.3992 GPRESSAVG: 1080600 31.53 4.69669 -27.8147 5.81291 -42.1107 12.5729 -24.1343 10.9555 -10.6072 TIMING: 1080600 CPU: 3138.44, 0.00290499/step Wall: 3138.44, 0.00290499/step, 3.16272 hours remaining, 203.937500 MB of memory in use. ENERGY: 1080600 756.3552 2053.7953 1980.5221 107.4240 -206591.3459 17795.2291 0.0000 0.0000 34085.3613 -149812.6590 297.6759 -183898.0202 -149721.9366 297.5767 -32.3440 -2.2121 557690.6372 -7.0507 -7.0626 PRESSURE: 1080800 209.46 -53.0357 76.3436 -53.0368 87.4904 -12.459 76.3432 -12.4595 -106.111 GPRESSURE: 1080800 176.364 -53.9067 129.349 -74.1886 182.65 -92.4156 -20.4869 62.134 -70.8441 PRESSAVG: 1080800 18.0511 3.67065 63.0818 3.67065 -12.6472 -19.6869 63.0818 -19.6869 11.3815 GPRESSAVG: 1080800 17.6325 3.2358 65.9005 3.7173 -12.5559 -20.1877 61.9069 -18.6504 12.3009 TIMING: 1080800 CPU: 3139.02, 0.00290244/step Wall: 3139.02, 0.00290244/step, 3.15978 hours remaining, 203.937500 MB of memory in use. ENERGY: 1080800 738.1969 2102.1533 1953.6909 105.8407 -206884.5945 18173.2720 0.0000 0.0000 34052.3129 -149759.1279 297.3873 -183811.4408 -149665.2684 298.2300 63.6131 96.0568 557437.2807 5.5952 5.7925 PRESSURE: 1081000 62.2038 4.55627 -20.5494 4.55567 -252.203 -9.77541 -20.5486 -9.77739 -140.58 GPRESSURE: 1081000 81.9064 93.8746 -1.99433 -27.8513 -244.386 50.1709 25.0329 -55.6529 -82.2914 PRESSAVG: 1081000 12.1005 -21.5275 -9.23838 -21.5276 24.9621 -16.1103 -9.23831 -16.1103 -10.7369 GPRESSAVG: 1081000 12.7579 -19.1808 -9.62659 -21.6394 25.2655 -13.7698 -9.20323 -18.6138 -11.965 TIMING: 1081000 CPU: 3139.6, 0.00291784/step Wall: 3139.6, 0.00291784/step, 3.17639 hours remaining, 203.937500 MB of memory in use. ENERGY: 1081000 745.2407 2053.2143 1951.9676 112.8464 -206184.4226 17680.4861 0.0000 0.0000 34011.8711 -149628.7964 297.0341 -183640.6675 -149532.0870 297.4145 -110.1932 -81.5903 558560.0844 8.7752 8.6861 PRESSURE: 1081200 -281.097 69.612 3.7376 69.6126 -71.4335 -188.532 3.73771 -188.533 88.7601 GPRESSURE: 1081200 -216.158 11.8476 -35.4407 -6.98648 -86.884 -203.36 19.9851 -157.958 127.093 PRESSAVG: 1081200 1.36156 13.4245 0.594749 13.4245 -14.8244 -30.7659 0.594842 -30.7658 40.0631 GPRESSAVG: 1081200 1.89343 12.4172 -0.370721 12.3079 -15.4575 -32.7693 -1.03309 -28.3765 40.0121 TIMING: 1081200 CPU: 3140.19, 0.00291853/step Wall: 3140.19, 0.00291853/step, 3.17698 hours remaining, 204.199219 MB of memory in use. ENERGY: 1081200 765.0701 2100.8173 1959.5380 118.4810 -206382.4248 17706.3345 0.0000 0.0000 34098.0453 -149634.1385 297.7867 -183732.1837 -149530.9523 298.0668 -87.9235 -58.6497 556836.5429 8.8668 8.8160 PRESSURE: 1081400 89.1491 -32.0772 42.7604 -32.0777 144.635 -132.7 42.7592 -132.701 35.0238 GPRESSURE: 1081400 128.723 -51.6449 97.4058 11.5725 201.377 -121.113 -19.9696 -147.979 47.3996 PRESSAVG: 1081400 32.2129 -3.1313 28.4274 -3.13126 -10.5762 -27.1547 28.4274 -27.1546 -12.2089 GPRESSAVG: 1081400 30.6699 -2.95421 28.1403 -1.5694 -10.2784 -26.9126 28.1611 -29.5032 -10.7452 TIMING: 1081400 CPU: 3140.77, 0.00290051/step Wall: 3140.77, 0.00290051/step, 3.15721 hours remaining, 204.199219 MB of memory in use. ENERGY: 1081400 732.4939 2087.5269 1967.3845 119.6720 -206406.2582 17892.8232 0.0000 0.0000 34217.6200 -149388.7376 298.8310 -183606.3576 -149299.3184 297.8691 89.6026 125.8332 558103.5171 3.1426 3.2155 PRESSURE: 1081600 -331.373 -158.515 -39.6071 -158.516 11.9961 -20.3529 -39.6071 -20.3545 -308.368 GPRESSURE: 1081600 -320.8 -105.668 -59.491 -219.871 55.7998 62.0333 11.5849 -62.0468 -265.822 PRESSAVG: 1081600 21.4937 -41.914 -31.6364 -41.914 31.775 -24.1564 -31.6363 -24.1564 -32.5749 GPRESSAVG: 1081600 23.4479 -44.4644 -32.6103 -39.6673 31.5542 -23.7405 -29.3936 -22.7974 -33.762 TIMING: 1081600 CPU: 3141.34, 0.00289002/step Wall: 3141.34, 0.00289002/step, 3.14563 hours remaining, 204.199219 MB of memory in use. ENERGY: 1081600 746.4459 2052.4399 1958.7335 98.3527 -205925.7159 17514.9936 0.0000 0.0000 33956.9077 -149597.8426 296.5541 -183554.7503 -149494.1213 297.7726 -209.2483 -176.9409 557073.0683 6.8979 7.0801 PRESSURE: 1081800 -8.77395 -166.532 60.0767 -166.533 127.787 -38.3788 60.0768 -38.3808 -339.331 GPRESSURE: 1081800 4.68363 -175.646 -26.871 -86.6407 204.532 3.64534 130.207 -114.941 -330.029 PRESSAVG: 1081800 23.6003 -11.6915 -21.655 -11.6916 -13.0596 19.7731 -21.6551 19.7731 -2.73262 GPRESSAVG: 1081800 22.8156 -8.4807 -21.2468 -15.409 -12.1074 20.1678 -23.8121 19.9324 -3.24868 TIMING: 1081800 CPU: 3141.93, 0.00290969/step Wall: 3141.93, 0.00290969/step, 3.16687 hours remaining, 204.199219 MB of memory in use. ENERGY: 1081800 738.3213 2042.1289 1974.8894 102.4765 -206674.2822 17888.7046 0.0000 0.0000 34265.4224 -149662.3390 299.2485 -183927.7614 -149561.1890 298.1517 -73.4394 -40.2712 557070.7968 2.6027 2.4865 PRESSURE: 1082000 43.6401 -35.3456 -137.236 -35.3448 0.194527 -76.0335 -137.237 -76.0348 69.0619 GPRESSURE: 1082000 83.2112 -107.259 -180.022 -42.5165 2.02988 -66.8968 -113.463 -48.9312 127.722 PRESSAVG: 1082000 72.3303 -5.62414 21.6548 -5.62419 11.1145 -22.8695 21.6548 -22.8694 -5.79349 GPRESSAVG: 1082000 72.7259 -7.4239 22.3353 -2.98317 10.1231 -22.5859 21.3142 -21.3076 -5.23859 TIMING: 1082000 CPU: 3142.51, 0.00290419/step Wall: 3142.51, 0.00290419/step, 3.16073 hours remaining, 204.199219 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: 1082000 753.1795 2039.0984 2001.8535 122.8437 -206312.1727 17805.4803 0.0000 0.0000 34117.9321 -149471.7853 297.9604 -183589.7174 -149380.0390 298.0007 37.6322 70.9877 557317.8906 25.8838 25.8701 PRESSURE: 1082200 207.08 -52.1695 90.3271 -52.1686 165.298 -15.6773 90.3269 -15.6772 165.829 GPRESSURE: 1082200 244.003 -97.5115 16.3987 -13.059 193.516 -79.8126 105.952 2.65539 188.928 PRESSAVG: 1082200 -51.2947 -4.4189 13.0504 -4.41892 7.29482 -50.5543 13.0504 -50.5544 9.91882 GPRESSAVG: 1082200 -51.6499 -4.24445 13.7847 -4.38649 7.53912 -50.4241 12.9527 -51.5833 10.2711 TIMING: 1082200 CPU: 3143.09, 0.00291557/step Wall: 3143.09, 0.00291557/step, 3.17295 hours remaining, 204.199219 MB of memory in use. ENERGY: 1082200 750.8602 2031.1634 1944.9008 118.1641 -206418.5878 18003.2216 0.0000 0.0000 34190.7152 -149379.5624 298.5960 -183570.2777 -149283.8103 298.3754 179.4021 208.8157 555670.4126 -11.3603 -11.2799 PRESSURE: 1082400 -262.913 -95.9427 -64.8165 -95.9429 -184.131 1.78349 -64.815 1.7839 -35.486 GPRESSURE: 1082400 -214.576 -81.2361 -63.0764 -53.7372 -107.168 -48.571 -45.3959 2.90653 -55.5507 PRESSAVG: 1082400 -12.4684 16.4585 16.7293 16.4586 43.0868 12.567 16.7293 12.5671 -14.4698 GPRESSAVG: 1082400 -12.3054 16.2789 15.6696 15.3599 43.1075 11.301 17.2951 12.9567 -14.585 TIMING: 1082400 CPU: 3143.67, 0.00290037/step Wall: 3143.67, 0.00290037/step, 3.15624 hours remaining, 204.199219 MB of memory in use. ENERGY: 1082400 745.0955 2039.9284 1976.1978 114.2352 -206228.4556 17502.6038 0.0000 0.0000 34314.2259 -149536.1690 299.6747 -183850.3949 -149439.8745 298.7507 -160.8434 -125.7649 556827.4974 5.3828 5.4057 PRESSURE: 1082600 338.636 100.568 29.7289 100.568 74.6023 -66.5137 29.7285 -66.5146 26.3922 GPRESSURE: 1082600 366.203 97.319 3.21847 135.301 183.101 -74.3496 -34.9161 -53.8053 -14.5151 PRESSAVG: 1082600 9.71842 -29.6676 13.0409 -29.6676 -26.039 -10.9757 13.0409 -10.9757 5.63751 GPRESSAVG: 1082600 9.6883 -28.0799 13.4323 -30.9869 -27.6768 -9.91993 11.4218 -11.6359 7.45901 TIMING: 1082600 CPU: 3144.25, 0.00289974/step Wall: 3144.25, 0.00289974/step, 3.1554 hours remaining, 204.199219 MB of memory in use. ENERGY: 1082600 706.9615 2039.2678 1953.3037 91.3884 -206581.9354 17981.6193 0.0000 0.0000 34282.7724 -149526.6222 299.4000 -183809.3947 -149429.5986 298.0629 146.5434 178.2629 557160.2693 -3.5610 -3.5098 PRESSURE: 1082800 95.5 28.9976 37.5623 28.9975 31.6604 -37.9098 37.565 -37.9112 164.961 GPRESSURE: 1082800 140.757 -43.0311 52.9328 45.8629 68.9596 -46.2918 51.2455 -106.365 184.273 PRESSAVG: 1082800 81.3724 -35.0209 -2.56519 -35.0209 -53.5723 -28.6686 -2.56527 -28.6686 -25.4474 GPRESSAVG: 1082800 80.1545 -33.9713 -3.80103 -36.9968 -51.947 -27.7666 -0.980761 -28.6751 -25.9924 TIMING: 1082800 CPU: 3144.83, 0.00291381/step Wall: 3144.83, 0.00291381/step, 3.17055 hours remaining, 204.199219 MB of memory in use. ENERGY: 1082800 755.7979 2071.2859 1950.7658 115.5026 -206590.3152 18054.8972 0.0000 0.0000 34147.1372 -149494.9286 298.2154 -183642.0658 -149395.8409 298.1707 97.3739 131.3297 556738.6739 0.7842 0.7384 PRESSURE: 1083000 115.568 55.5955 255.942 55.5962 61.7566 -98.2076 255.941 -98.2074 163.524 GPRESSURE: 1083000 51.6092 48.065 224.376 47.2138 118.845 -75.7655 263.193 -39.5067 270.655 PRESSAVG: 1083000 39.664 -12.8456 8.37426 -12.8456 -9.03094 8.99238 8.37418 8.99241 -39.9963 GPRESSAVG: 1083000 40.656 -13.0675 11.7807 -12.4082 -10.2843 9.89676 7.87557 8.07672 -39.9883 TIMING: 1083000 CPU: 3145.41, 0.00289015/step Wall: 3145.41, 0.00289015/step, 3.14464 hours remaining, 204.199219 MB of memory in use. ENERGY: 1083000 737.2910 2105.6428 1951.3724 109.0036 -206661.2849 18030.9663 0.0000 0.0000 34187.4213 -149539.5874 298.5673 -183727.0087 -149444.8476 297.9558 113.6161 147.0365 556854.6452 -3.1211 -3.2056 PRESSURE: 1083200 46.5954 -25.8497 223.792 -25.8482 -3.60054 -105.296 223.793 -105.295 401.626 GPRESSURE: 1083200 139.067 49.476 190.702 40.0903 7.69445 -177.492 215.644 -87.4199 408.18 PRESSAVG: 1083200 -30.3662 17.4768 65.6021 17.4768 -3.12204 -85.9605 65.6021 -85.9605 -5.83916 GPRESSAVG: 1083200 -29.9819 16.0322 63.0562 20.3854 -1.68476 -88.2949 65.3871 -84.686 -7.30243 TIMING: 1083200 CPU: 3145.99, 0.00290339/step Wall: 3145.99, 0.00290339/step, 3.15889 hours remaining, 204.199219 MB of memory in use. ENERGY: 1083200 745.9060 2040.8313 1965.8949 111.1926 -206489.5784 18068.6530 0.0000 0.0000 34033.2729 -149523.8278 297.2210 -183557.1007 -149422.5011 297.9936 148.2069 184.9805 555897.7734 -13.1091 -12.9897 PRESSURE: 1083400 -138.123 99.5837 49.5667 99.583 41.0612 -49.3849 49.5658 -49.3866 -274.418 GPRESSURE: 1083400 -116.677 121.254 -29.1823 115.235 32.345 6.41386 73.9791 -58.4026 -182.612 PRESSAVG: 1083400 7.52776 21.6587 33.8507 21.6587 -33.2427 -47.3586 33.8507 -47.3586 16.0102 GPRESSAVG: 1083400 7.13763 23.3265 35.7561 18.9699 -33.3476 -46.9149 31.8937 -48.7518 16.4164 TIMING: 1083400 CPU: 3146.57, 0.00291002/step Wall: 3146.57, 0.00291002/step, 3.16594 hours remaining, 204.199219 MB of memory in use. ENERGY: 1083400 740.6056 2068.8888 1951.3941 108.9598 -206250.3730 17634.7933 0.0000 0.0000 34152.0633 -149593.6681 298.2585 -183745.7314 -149494.0523 297.4726 -123.8267 -88.9815 557889.6971 -3.2349 -3.2645 PRESSURE: 1083600 31.7784 -3.09977 -41.7138 -3.10094 45.0798 20.8802 -41.7142 20.8788 204.775 GPRESSURE: 1083600 41.3651 32.1591 36.7799 29.9267 111.871 40.9309 -146.475 -51.683 229.648 PRESSAVG: 1083600 15.972 77.5328 3.66112 77.5329 14.7033 -30.4157 3.66104 -30.4157 7.42678 GPRESSAVG: 1083600 17.0632 76.9061 4.17489 77.9941 14.094 -29.3891 4.73113 -30.0741 7.02915 TIMING: 1083600 CPU: 3147.15, 0.00288675/step Wall: 3147.15, 0.00288675/step, 3.14046 hours remaining, 204.199219 MB of memory in use. ENERGY: 1083600 734.9951 2077.1956 1986.8060 107.6186 -206560.2816 17994.8728 0.0000 0.0000 34176.4171 -149482.3763 298.4712 -183658.7934 -149391.2273 299.3042 93.8778 127.6280 557548.0961 12.7007 12.7288 PRESSURE: 1083800 -210.639 49.7217 3.48489 49.7201 -219.35 198.321 3.48561 198.322 -109.688 GPRESSURE: 1083800 -160.803 35.628 54.9714 65.2849 -144.362 120.718 -7.77235 306.948 -131.183 PRESSAVG: 1083800 -9.40423 61.3754 54.742 61.3754 0.536576 30.0862 54.742 30.0862 24.8614 GPRESSAVG: 1083800 -11.5843 61.2853 51.7408 62.3372 -0.0866245 26.6442 56.5081 30.8354 27.8999 TIMING: 1083800 CPU: 3147.73, 0.00291658/step Wall: 3147.73, 0.00291658/step, 3.17275 hours remaining, 204.199219 MB of memory in use. ENERGY: 1083800 744.3587 2115.0551 1959.7538 107.8139 -206273.1843 17519.4676 0.0000 0.0000 34300.9476 -149525.7876 299.5587 -183826.7352 -149421.6630 297.7692 -179.8924 -145.4492 556416.6022 5.3313 5.4097 PRESSURE: 1084000 83.322 153.171 -123.865 153.172 -98.5463 0.162847 -123.864 0.16191 -35.9053 GPRESSURE: 1084000 107.642 218.512 -145.537 113.848 -106.407 -53.8514 -122.446 74.9516 50.4245 PRESSAVG: 1084000 5.03134 -15.019 -15.5481 -15.019 37.7378 29.8457 -15.5482 29.8456 -62.5198 GPRESSAVG: 1084000 6.468 -14.0784 -13.4703 -15.9687 38.3398 31.3143 -16.9349 29.6748 -64.2505 TIMING: 1084000 CPU: 3148.31, 0.00289009/step Wall: 3148.31, 0.00289009/step, 3.14378 hours remaining, 204.199219 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: 1084000 750.5864 2129.5963 1975.3371 108.5261 -206391.1472 17878.1547 0.0000 0.0000 34057.2575 -149491.6891 297.4305 -183548.9466 -149404.6029 298.8705 -17.0432 17.2200 556845.2909 -6.5836 -6.4809 PRESSURE: 1084200 -36.7939 37.4658 -10.7772 37.4662 -214.334 85.5473 -10.7766 85.5472 -256.72 GPRESSURE: 1084200 33.9119 100.567 -3.67828 141.765 -225.408 105.171 52.8863 30.1074 -212.153 PRESSAVG: 1084200 27.0924 61.709 -38.998 61.7088 77.2344 8.5076 -38.998 8.50752 -84.4507 GPRESSAVG: 1084200 27.0344 61.6908 -38.424 62.6004 77.2538 8.26105 -38.9709 6.66748 -84.6348 TIMING: 1084200 CPU: 3148.9, 0.00291988/step Wall: 3148.9, 0.00291988/step, 3.17601 hours remaining, 204.199219 MB of memory in use. ENERGY: 1084200 767.5499 2082.7485 1963.7810 117.4641 -206340.3119 17759.3466 0.0000 0.0000 33953.9676 -149695.4543 296.5284 -183649.4218 -149596.2913 298.0541 -169.2825 -134.5497 557017.7278 6.6254 6.5511 LDB: ============= START OF LOAD BALANCING ============== 3152.36 LDB: ============== END OF LOAD BALANCING =============== 3152.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3152.36 LDB: ============= START OF LOAD BALANCING ============== 3152.65 LDB: Largest compute 4826 load 0.026752 is 22.7% of average load 0.117642 LDB: Average compute 0.001729 is 1.5% of average load 0.117642 LDB: TIME 3152.66 LOAD: AVG 0.117642 MAX 0.17899 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.938 MB LDB: TIME 3152.66 LOAD: AVG 0.117642 MAX 0.17899 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.938 MB LDB: TIME 3152.66 LOAD: AVG 0.117642 MAX 0.17899 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.938 MB LDB: ============== END OF LOAD BALANCING =============== 3152.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3152.66 PRESSURE: 1084400 110.291 -66.9968 -35.9651 -66.9964 -45.8001 97.9465 -35.9643 97.9468 86.9397 GPRESSURE: 1084400 136.817 -122.24 -144.502 -50.0815 0.0238509 224.45 24.4071 50.4739 116.176 PRESSAVG: 1084400 47.2862 32.6003 -46.7752 32.6002 -17.4558 -17.7112 -46.7751 -17.7113 -52.4751 GPRESSAVG: 1084400 47.7016 30.379 -47.0843 32.6344 -17.2287 -16.6143 -47.0464 -16.5236 -53.056 TIMING: 1084400 CPU: 3149.49, 0.00296418/step Wall: 3149.49, 0.00296418/step, 3.22404 hours remaining, 203.871094 MB of memory in use. ENERGY: 1084400 751.5349 2108.8975 1973.6807 116.2757 -206706.7387 18072.8501 0.0000 0.0000 34034.2482 -149649.2517 297.2296 -183683.4998 -149559.5284 297.8766 50.4768 84.3390 556378.3561 -7.5482 -7.5277 PRESSURE: 1084600 256.9 -7.67595 -74.0072 -7.67649 88.9247 31.857 -74.0074 31.8566 281.029 GPRESSURE: 1084600 240.326 -83.4325 -52.7017 41.0851 177.107 21.3186 -93.6991 29.4145 302.709 PRESSAVG: 1084600 12.1955 6.92924 11.9377 6.92926 -14.2196 4.04885 11.9377 4.04886 -6.73234 GPRESSAVG: 1084600 10.661 7.4643 11.0883 7.22997 -13.6776 5.41749 12.8285 3.4042 -5.93343 TIMING: 1084600 CPU: 3150.07, 0.00289461/step Wall: 3150.07, 0.00289461/step, 3.14821 hours remaining, 203.960938 MB of memory in use. ENERGY: 1084600 766.2679 2118.2667 1962.6129 112.2217 -206641.6046 18165.6521 0.0000 0.0000 34151.3674 -149365.2159 298.2524 -183516.5833 -149274.3906 297.5081 208.9510 240.0473 556352.8827 -2.9188 -2.9834 PRESSURE: 1084800 50.9466 27.8944 97.8643 27.8944 21.223 -62.7301 97.8648 -62.7298 -176.138 GPRESSURE: 1084800 60.5156 30.5575 206.77 -25.6914 -2.51793 4.67257 76.679 -45.6053 -79.1705 PRESSAVG: 1084800 74.7512 3.0645 -1.70584 3.06452 -82.3612 -61.8007 -1.70578 -61.8008 2.61985 GPRESSAVG: 1084800 74.8981 3.05149 -2.62835 3.69894 -81.9762 -61.8343 -1.3696 -60.2158 1.42727 TIMING: 1084800 CPU: 3150.65, 0.00289123/step Wall: 3150.65, 0.00289123/step, 3.14438 hours remaining, 203.960938 MB of memory in use. ENERGY: 1084800 765.5979 2140.9577 1981.2999 108.6392 -206475.6238 17868.4712 0.0000 0.0000 34256.3839 -149354.2740 299.1695 -183610.6579 -149260.4201 298.2807 -34.6562 -7.0576 558030.2439 -1.6634 -1.8836 PRESSURE: 1085000 -3.72623 56.8402 -161.815 56.8407 43.2052 83.1285 -161.814 83.1276 -264.545 GPRESSURE: 1085000 5.52038 69.201 -176.657 85.6403 70.3682 92.7756 -149.017 72.7771 -208.378 PRESSAVG: 1085000 43.9925 22.3763 60.8347 22.3762 -50.1745 -33.5969 60.8347 -33.5968 23.1955 GPRESSAVG: 1085000 45.3173 24.0059 62.1348 20.935 -51.304 -34.8836 59.7369 -34.0866 22.9439 TIMING: 1085000 CPU: 3151.22, 0.0028932/step Wall: 3151.22, 0.0028932/step, 3.14635 hours remaining, 203.960938 MB of memory in use. ENERGY: 1085000 720.0707 2104.2350 1963.5694 107.9257 -206252.3075 17608.8644 0.0000 0.0000 34348.0546 -149399.5875 299.9701 -183747.6421 -149304.0213 298.8327 -75.0220 -44.1633 556604.3808 5.6712 5.6524 PRESSURE: 1085200 -164.687 -6.90787 23.1804 -6.90838 15.7029 -17.3694 23.1798 -17.3698 -351.31 GPRESSURE: 1085200 -168.23 -70.8894 53.1973 1.37324 27.2774 -11.352 -3.8312 -71.1493 -248.307 PRESSAVG: 1085200 -4.24972 2.90736 24.1423 2.90735 4.34438 -12.658 24.1422 -12.658 27.2064 GPRESSAVG: 1085200 -5.81827 1.85921 24.2691 3.39003 4.80747 -11.6904 23.9378 -13.4002 28.3783 TIMING: 1085200 CPU: 3151.8, 0.00288901/step Wall: 3151.8, 0.00288901/step, 3.14164 hours remaining, 203.960938 MB of memory in use. ENERGY: 1085200 756.0248 2077.0901 1933.1807 104.3398 -205808.6205 17394.9140 0.0000 0.0000 34163.0232 -149380.0479 298.3542 -183543.0711 -149283.5563 298.9153 -166.7644 -129.7535 556599.9735 9.1004 9.1225 PRESSURE: 1085400 5.52837 -4.20501 80.6218 -4.20556 -159.612 -40.7232 80.6214 -40.7236 -271.111 GPRESSURE: 1085400 31.4218 45.3014 15.1703 -107.413 -170.905 -91.1504 67.3851 19.591 -196.178 PRESSAVG: 1085400 25.1741 16.8262 -17.4448 16.8262 -35.5809 -12.439 -17.4448 -12.4389 -22.8908 GPRESSAVG: 1085400 26.0005 18.431 -15.8331 15.0263 -36.5019 -12.8823 -16.4913 -11.2508 -22.1954 TIMING: 1085400 CPU: 3152.38, 0.00289238/step Wall: 3152.38, 0.00289238/step, 3.14514 hours remaining, 203.960938 MB of memory in use. ENERGY: 1085400 760.2140 2103.5699 1939.6712 105.1488 -206094.9216 17674.9537 0.0000 0.0000 34104.7153 -149406.6487 297.8450 -183511.3640 -149310.4825 298.7346 -141.7316 -111.8872 555638.2392 -11.0992 -10.8989 PRESSURE: 1085600 209.917 31.0561 100.657 31.0559 -184.783 27.4763 100.657 27.4754 146.377 GPRESSURE: 1085600 236.193 14.8152 101.432 72.4337 -142.529 -1.20061 36.8368 22.4744 170.178 PRESSAVG: 1085600 73.7467 -14.512 0.367568 -14.512 -100.698 -49.9275 0.367573 -49.9276 4.82193 GPRESSAVG: 1085600 73.4868 -16.1144 -0.652718 -12.2377 -100.736 -48.8933 -0.804568 -51.8286 4.39541 TIMING: 1085600 CPU: 3152.96, 0.00290514/step Wall: 3152.96, 0.00290514/step, 3.15886 hours remaining, 203.960938 MB of memory in use. ENERGY: 1085600 769.3219 2088.0626 1957.9922 131.3090 -206535.0908 17965.2376 0.0000 0.0000 34367.3042 -149255.8634 300.1382 -183623.1676 -149161.1023 299.0523 57.1700 87.9473 556246.7238 -7.3764 -7.6180 PRESSURE: 1085800 -31.0211 -2.9744 147.527 -2.97381 -117.266 -112.193 147.528 -112.192 52.592 GPRESSURE: 1085800 37.8502 40.071 100.183 -3.54129 -109.55 -80.4292 146.553 -101.47 81.6245 PRESSAVG: 1085800 45.9274 -13.6287 -15.5939 -13.6287 -82.4609 -23.7943 -15.5939 -23.7944 17.5166 GPRESSAVG: 1085800 46.1165 -12.9436 -17.5717 -15.81 -82.3535 -23.4427 -13.5445 -23.5992 17.2253 TIMING: 1085800 CPU: 3153.54, 0.00291673/step Wall: 3153.54, 0.00291673/step, 3.1713 hours remaining, 203.960938 MB of memory in use. ENERGY: 1085800 726.4049 2108.0325 1969.9258 113.3496 -206058.5920 17739.0877 0.0000 0.0000 34181.9375 -149219.8539 298.5194 -183401.7914 -149112.8936 299.0167 -31.8982 3.3083 556596.7392 -6.3390 -6.3372 PRESSURE: 1086000 311.825 88.417 -15.1429 88.4174 43.8216 73.7596 -15.1417 73.7574 -157.346 GPRESSURE: 1086000 346.066 94.4399 -65.4846 70.3086 28.3383 97.2082 -14.0937 145.308 -75.3379 PRESSAVG: 1086000 97.3029 -43.9689 50.092 -43.969 -10.6757 -29.205 50.0919 -29.205 -81.8569 GPRESSAVG: 1086000 97.6771 -44.8291 51.8016 -42.6423 -10.874 -28.8634 48.2128 -27.8525 -82.2011 TIMING: 1086000 CPU: 3154.12, 0.00290217/step Wall: 3154.12, 0.00290217/step, 3.15531 hours remaining, 203.960938 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: 1086000 769.0900 2078.7275 1949.9969 106.8167 -206452.4376 18073.2202 0.0000 0.0000 34411.4802 -149063.1061 300.5240 -183474.5863 -148958.4951 299.3008 66.1002 99.6887 557640.6022 1.5901 1.5340 PRESSURE: 1086200 -120.623 -12.7426 -123.897 -12.7425 81.0563 -54.913 -123.897 -54.9121 -69.8378 GPRESSURE: 1086200 -63.6134 -59.4096 -68.2526 110.528 96.3748 -154.219 -114.31 48.9944 -54.7651 PRESSAVG: 1086200 -2.55941 28.5625 -26.8943 28.5625 15.0908 -17.3917 -26.8943 -17.3918 -70.7362 GPRESSAVG: 1086200 -2.88803 28.3671 -27.5245 30.0288 15.9159 -17.9187 -24.6346 -17.5021 -71.207 TIMING: 1086200 CPU: 3154.7, 0.00288968/step Wall: 3154.7, 0.00288968/step, 3.14157 hours remaining, 203.960938 MB of memory in use. ENERGY: 1086200 740.8593 2074.2860 1952.1154 127.3444 -206123.9877 17840.5709 0.0000 0.0000 34272.6986 -149116.1132 299.3120 -183388.8118 -149015.7091 299.4973 -36.4681 -7.3346 557733.5351 -19.4016 -19.3930 PRESSURE: 1086400 -84.9946 118.955 -46.8694 118.954 -224.722 -37.9453 -46.8704 -37.9451 -32.4818 GPRESSURE: 1086400 -82.5895 140.463 -12.1076 72.5791 -199.341 -0.686791 -49.8349 -197.753 34.9033 PRESSAVG: 1086400 -9.36546 4.62215 -42.3579 4.6221 -12.9638 -3.63663 -42.3578 -3.63661 41.565 GPRESSAVG: 1086400 -8.77172 7.47094 -41.3949 3.31471 -13.2464 -3.30475 -42.2823 -5.71674 41.4392 TIMING: 1086400 CPU: 3155.28, 0.0028952/step Wall: 3155.28, 0.0028952/step, 3.1474 hours remaining, 203.960938 MB of memory in use. ENERGY: 1086400 738.5499 2072.3666 1962.1494 113.9515 -205958.9438 17668.2023 0.0000 0.0000 34208.2910 -149195.4331 298.7495 -183403.7241 -149099.6529 299.7631 -114.0663 -82.3425 557015.1664 6.4119 6.4737 PRESSURE: 1086600 -64.4184 15.4712 54.7982 15.4717 -176.894 -66.6083 54.7984 -66.6068 -139.358 GPRESSURE: 1086600 -59.8221 -50.5923 -41.1172 69.0257 -124.585 -58.8635 89.4837 -53.1089 -92.7994 PRESSAVG: 1086600 49.996 4.39133 39.2218 4.39149 -100.278 10.3336 39.2217 10.3336 3.48868 GPRESSAVG: 1086600 50.0319 2.14562 37.1842 4.01286 -100.051 10.8501 36.8286 11.2927 2.87273 TIMING: 1086600 CPU: 3155.86, 0.00289661/step Wall: 3155.86, 0.00289661/step, 3.14878 hours remaining, 203.960938 MB of memory in use. ENERGY: 1086600 748.7796 2099.4762 1949.2020 113.6528 -206018.0221 17709.6360 0.0000 0.0000 34126.0313 -149271.2441 298.0311 -183397.2754 -149173.5608 298.8947 -126.8904 -92.4021 558278.8103 -15.5978 -15.7153 PRESSURE: 1086800 -40.4182 -169.132 126.004 -169.134 -69.806 51.7647 126.005 51.7627 149.516 GPRESSURE: 1086800 -42.0867 -118.172 87.5689 -151.297 24.1425 53.9116 131.52 12.2928 147.194 PRESSAVG: 1086800 75.9543 20.8242 10.3112 20.8242 -72.6347 7.74063 10.3111 7.74056 36.8127 GPRESSAVG: 1086800 75.1976 19.735 10.8506 22.8447 -72.667 6.74258 13.7128 7.45807 37.5086 TIMING: 1086800 CPU: 3156.44, 0.00290394/step Wall: 3156.44, 0.00290394/step, 3.15658 hours remaining, 203.960938 MB of memory in use. ENERGY: 1086800 741.6456 2073.6535 1941.4209 110.2363 -206125.8827 17686.1443 0.0000 0.0000 34193.9072 -149378.8750 298.6239 -183572.7822 -149286.4977 299.2857 13.0972 43.0833 556409.8882 13.3774 13.3464 PRESSURE: 1087000 151.844 151.84 -53.1996 151.839 -56.6486 32.3845 -53.1975 32.3838 -1.26243 GPRESSURE: 1087000 136.386 115.974 37.1495 167.568 -24.3892 -45.4188 -3.89491 120.745 74.6539 PRESSAVG: 1087000 -17.6896 57.3424 14.1439 57.3424 -22.3085 43.2624 14.1439 43.2623 11.5016 GPRESSAVG: 1087000 -17.9704 59.5444 14.5921 56.3723 -20.9833 41.9019 13.4295 46.2337 10.9578 TIMING: 1087000 CPU: 3157.02, 0.00291057/step Wall: 3157.02, 0.00291057/step, 3.16363 hours remaining, 203.960938 MB of memory in use. ENERGY: 1087000 716.5162 2059.5282 1974.1053 118.4436 -206087.6494 17759.5608 0.0000 0.0000 34063.8319 -149395.6634 297.4879 -183459.4953 -149303.0638 298.4741 31.3110 62.2169 556942.3895 -9.4988 -9.3319 PRESSURE: 1087200 -87.462 136.105 92.2412 136.104 48.357 -149.227 92.2412 -149.227 37.8271 GPRESSURE: 1087200 29.5372 136.606 19.678 90.0677 55.0327 -89.5014 126.358 -226.597 16.6852 PRESSAVG: 1087200 20.7402 38.0005 -1.59807 38.0006 -45.4039 -49.4481 -1.59802 -49.4481 44.8073 GPRESSAVG: 1087200 21.0312 37.2089 -1.11722 37.8374 -46.8054 -45.1571 0.326004 -52.0745 45.4719 TIMING: 1087200 CPU: 3157.61, 0.00292657/step Wall: 3157.61, 0.00292657/step, 3.18086 hours remaining, 203.960938 MB of memory in use. ENERGY: 1087200 743.9977 2057.3648 1999.8674 114.5299 -206572.5813 18181.6729 0.0000 0.0000 34251.2332 -149223.9153 299.1245 -183475.1485 -149130.5655 298.5255 -0.4259 33.7517 558505.4398 6.7145 6.5659 PRESSURE: 1087400 -210.192 48.1177 49.9994 48.1171 69.6878 -72.3293 49.9986 -72.3291 216.948 GPRESSURE: 1087400 -217.415 141.925 79.3457 78.7869 113.628 -108.348 56.841 -93.8171 278.085 PRESSAVG: 1087400 -23.8282 8.10501 -7.99281 8.10496 -28.8241 -8.12193 -7.99286 -8.12197 71.6935 GPRESSAVG: 1087400 -23.1572 7.43546 -8.73453 7.59492 -28.293 -7.66038 -10.3855 -9.14741 70.7576 TIMING: 1087400 CPU: 3158.19, 0.00288406/step Wall: 3158.19, 0.00288406/step, 3.13449 hours remaining, 203.960938 MB of memory in use. ENERGY: 1087400 742.1497 1993.6443 1977.4105 102.9071 -206289.6148 17803.0370 0.0000 0.0000 34367.9342 -149302.5320 300.1437 -183670.4662 -149202.4148 298.6698 25.4814 58.0990 557666.1868 6.3470 6.4358 PRESSURE: 1087600 91.5952 -80.2352 -182.636 -80.2354 -7.08783 66.4601 -182.636 66.4592 104.009 GPRESSURE: 1087600 130.939 -106.447 -185.33 -77.06 -14.6802 7.0362 -145.984 68.9749 159.973 PRESSAVG: 1087600 -6.11554 -46.0235 -32.0579 -46.0235 -9.91065 -6.34253 -32.0579 -6.3425 -8.18117 GPRESSAVG: 1087600 -5.5946 -44.6316 -31.2558 -47.7932 -11.4965 -8.26532 -33.3721 -6.0845 -7.29442 TIMING: 1087600 CPU: 3158.76, 0.00288451/step Wall: 3158.76, 0.00288451/step, 3.13482 hours remaining, 203.960938 MB of memory in use. ENERGY: 1087600 737.3846 2123.3418 1947.8030 114.6649 -206507.3482 17957.5713 0.0000 0.0000 34419.5920 -149206.9906 300.5949 -183626.5826 -149115.2511 299.3483 62.8388 92.0772 557344.3332 -8.0691 -8.1285 PRESSURE: 1087800 167.835 -170.536 307.597 -170.537 16.8936 17.0191 307.596 17.0187 107.887 GPRESSURE: 1087800 139.353 -171.926 210.889 -124.935 57.279 -18.3266 419.24 -1.68645 191.505 PRESSAVG: 1087800 4.38868 -7.69716 -1.16457 -7.69709 -37.4055 -2.74925 -1.16453 -2.74922 33.7152 GPRESSAVG: 1087800 3.81304 -9.04149 -3.5123 -6.79687 -37.005 -2.75307 -0.341552 -3.14514 34.4867 TIMING: 1087800 CPU: 3159.34, 0.0028782/step Wall: 3159.34, 0.0028782/step, 3.1278 hours remaining, 203.960938 MB of memory in use. ENERGY: 1087800 745.5859 2061.6372 1957.3210 118.9868 -206498.9739 18199.7580 0.0000 0.0000 34134.6850 -149281.0001 298.1067 -183415.6851 -149187.7217 298.6431 97.5385 129.3792 559201.3155 0.2328 0.4316 PRESSURE: 1088000 142.25 -67.082 112.039 -67.081 22.9013 -187.66 112.039 -187.66 -152.935 GPRESSURE: 1088000 193.776 -16.8906 77.4957 -31.6811 37.6836 -110.613 133.765 -156.014 -125.348 PRESSAVG: 1088000 37.0386 -2.82455 2.33047 -2.82444 -54.6332 -15.1621 2.33033 -15.1621 19.3295 GPRESSAVG: 1088000 36.3825 -1.42122 3.96708 -4.03348 -53.6637 -14.3178 3.7535 -15.2024 19.4524 TIMING: 1088000 CPU: 3159.92, 0.00288697/step Wall: 3159.92, 0.00288697/step, 3.13718 hours remaining, 203.960938 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: 1088000 754.0250 2081.5609 1971.1318 119.1178 -206157.3718 17720.4286 0.0000 0.0000 34106.4471 -149404.6605 297.8601 -183511.1076 -149312.4370 298.7130 4.0722 35.3705 557370.7437 0.5783 0.7237 PRESSURE: 1088200 248.378 52.1002 -17.3259 52.1011 25.0677 -105.328 -17.3281 -105.328 198.597 GPRESSURE: 1088200 236.189 19.016 -51.1207 3.65559 120.816 -189.421 -39.1508 -30.4274 200.511 PRESSAVG: 1088200 -24.4471 9.35419 22.4208 9.3541 -26.041 -60.2237 22.4207 -60.2237 57.5238 GPRESSAVG: 1088200 -22.8228 9.88314 22.3212 10.7493 -26.9896 -60.1275 22.7207 -59.8957 56.3695 TIMING: 1088200 CPU: 3160.5, 0.00291177/step Wall: 3160.5, 0.00291177/step, 3.16396 hours remaining, 203.960938 MB of memory in use. ENERGY: 1088200 761.3142 2048.8878 1948.3430 120.4624 -206401.9879 18002.5694 0.0000 0.0000 34119.6399 -149400.7712 297.9753 -183520.4111 -149311.6160 297.5221 157.3476 185.8385 556885.3202 2.3452 2.1857 LDB: ============= START OF LOAD BALANCING ============== 3163.97 LDB: ============== END OF LOAD BALANCING =============== 3163.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3163.97 LDB: ============= START OF LOAD BALANCING ============== 3164.26 LDB: Largest compute 4820 load 0.026647 is 22.6% of average load 0.117671 LDB: Average compute 0.001731 is 1.5% of average load 0.117671 LDB: TIME 3164.26 LOAD: AVG 0.117671 MAX 0.178669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.191 MB LDB: TIME 3164.26 LOAD: AVG 0.117671 MAX 0.178669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: TIME 3164.26 LOAD: AVG 0.117671 MAX 0.178669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: ============== END OF LOAD BALANCING =============== 3164.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3164.27 PRESSURE: 1088400 94.2377 -63.9457 90.4646 -63.9461 309.42 -6.9816 90.4652 -6.98257 38.0747 GPRESSURE: 1088400 94.5803 -34.0053 110.073 -22.2931 394.082 -29.3607 67.2125 -49.9126 51.1087 PRESSAVG: 1088400 4.98478 -28.8184 59.1546 -28.8183 -40.5407 20.2559 59.1547 20.2559 -23.0027 GPRESSAVG: 1088400 3.33559 -30.2392 59.2528 -28.5952 -38.8171 17.8004 57.3428 19.5202 -22.6949 TIMING: 1088400 CPU: 3161.09, 0.00295708/step Wall: 3161.09, 0.00295708/step, 3.21303 hours remaining, 203.722656 MB of memory in use. ENERGY: 1088400 758.4082 2074.5234 1978.6485 91.3365 -206470.8763 18051.6270 0.0000 0.0000 34013.5150 -149502.8178 297.0485 -183516.3328 -149402.1103 297.8569 147.2440 179.9236 556030.5023 -19.5195 -19.3921 PRESSURE: 1088600 -94.3349 93.3784 177.034 93.3777 32.5006 18.8842 177.035 18.8846 82.0277 GPRESSURE: 1088600 -17.0433 57.0649 172.216 95.2346 38.8019 34.9024 133.375 -57.3267 114.118 PRESSAVG: 1088600 -6.89333 49.4755 17.0822 49.4755 55.7871 5.75485 17.0822 5.75485 -30.739 GPRESSAVG: 1088600 -5.24236 51.8802 17.0128 49.6648 53.7716 6.2624 15.9089 8.05998 -30.285 TIMING: 1088600 CPU: 3161.67, 0.00289617/step Wall: 3161.67, 0.00289617/step, 3.14669 hours remaining, 203.761719 MB of memory in use. ENERGY: 1088600 737.1217 2091.5992 1936.4148 104.5971 -206211.8861 17620.4067 0.0000 0.0000 34138.4028 -149583.3437 298.1392 -183721.7465 -149489.6471 298.0746 6.7311 45.2921 556937.8355 6.0516 6.0814 PRESSURE: 1088800 107.574 -19.8489 -152.87 -19.8492 -86.7341 -198.732 -152.871 -198.733 29.0644 GPRESSURE: 1088800 138.347 -46.3694 -127.711 21.7034 -3.28157 -160.053 -137.071 -262.194 4.38715 PRESSAVG: 1088800 -11.2796 50.8887 116.82 50.8888 -11.7449 24.4021 116.82 24.4021 16.6955 GPRESSAVG: 1088800 -12.4025 48.7246 119.229 51.7521 -10.4787 23.0835 117.407 23.541 16.4829 TIMING: 1088800 CPU: 3162.25, 0.00288962/step Wall: 3162.25, 0.00288962/step, 3.13942 hours remaining, 203.968750 MB of memory in use. ENERGY: 1088800 731.8398 2080.5438 1948.3372 93.0366 -206166.2469 17778.3514 0.0000 0.0000 34129.2174 -149404.9207 298.0589 -183534.1381 -149309.2256 298.1541 16.6347 46.4841 557166.6553 -2.1097 -2.1328 PRESSURE: 1089000 150.115 -32.4085 11.6195 -32.4086 280.685 156.609 11.6186 156.609 285.915 GPRESSURE: 1089000 199.46 -6.37472 13.5645 -54.3109 279.067 116.898 9.33873 184.025 331.742 PRESSAVG: 1089000 23.6894 -21.1228 12.1392 -21.1227 -53.0798 5.82207 12.1392 5.822 28.7236 GPRESSAVG: 1089000 22.7961 -20.3818 9.67253 -21.7408 -52.7914 7.7644 12.4494 4.60746 29.3507 TIMING: 1089000 CPU: 3162.82, 0.00288455/step Wall: 3162.82, 0.00288455/step, 3.13374 hours remaining, 203.968750 MB of memory in use. ENERGY: 1089000 722.1754 2006.9461 1980.0957 104.9504 -206301.8735 18009.0069 0.0000 0.0000 34226.6070 -149252.0920 298.9095 -183478.6991 -149161.9039 298.4568 238.9053 270.0897 556142.8599 -0.2223 -0.2149 PRESSURE: 1089200 188.51 16.938 74.3436 16.9391 -37.6916 114.922 74.3433 114.922 171.893 GPRESSURE: 1089200 212.564 -2.63099 7.49562 27.6556 -3.20113 168.517 -46.6343 83.9881 207.21 PRESSAVG: 1089200 26.7843 -20.0043 -23.1716 -20.0044 4.51241 2.62844 -23.1716 2.6285 6.60859 GPRESSAVG: 1089200 27.631 -18.9404 -23.2548 -21.8757 3.89168 2.56537 -22.6189 2.73402 6.16034 TIMING: 1089200 CPU: 3163.4, 0.00289044/step Wall: 3163.4, 0.00289044/step, 3.13998 hours remaining, 204.269531 MB of memory in use. ENERGY: 1089200 732.7409 2005.3818 1963.1549 112.9807 -206384.1552 18005.6354 0.0000 0.0000 34241.8065 -149322.4549 299.0422 -183564.2614 -149221.9792 299.1114 107.5702 138.8574 556772.6797 12.6351 12.5610 PRESSURE: 1089400 -207.014 -105.038 222.291 -105.038 -28.4414 -28.0052 222.292 -28.0055 -99.3218 GPRESSURE: 1089400 -131.902 -41.0561 151.721 -182.38 -22.9689 -93.7885 250.138 -64.8386 -93.389 PRESSAVG: 1089400 -58.2952 4.40567 25.2409 4.4058 -5.83372 -7.7585 25.2408 -7.7586 46.2441 GPRESSAVG: 1089400 -59.8972 2.56321 26.7984 5.44415 -5.99359 -9.14705 25.3632 -5.92275 48.2391 TIMING: 1089400 CPU: 3163.98, 0.00289811/step Wall: 3163.98, 0.00289811/step, 3.14815 hours remaining, 204.269531 MB of memory in use. ENERGY: 1089400 759.2424 2085.6758 1974.9093 110.8619 -205609.6734 17495.1751 0.0000 0.0000 34096.5253 -149087.2836 297.7734 -183183.8089 -148986.6931 298.9434 -111.5924 -82.7533 558084.8328 -5.9616 -5.8839 PRESSURE: 1089600 -178.3 72.7001 -7.077 72.6997 -164.648 77.6366 -7.07663 77.6361 67.9803 GPRESSURE: 1089600 -185.919 130.278 22.9246 87.3418 -42.4893 84.2127 10.1201 3.10713 55.031 PRESSAVG: 1089600 -40.0435 -20.3173 -10.8027 -20.3173 -4.97047 -32.4395 -10.8026 -32.4396 83.2099 GPRESSAVG: 1089600 -38.9108 -21.1553 -11.1619 -19.539 -5.36099 -32.4594 -13.1497 -34.5191 81.9845 TIMING: 1089600 CPU: 3164.56, 0.00290019/step Wall: 3164.56, 0.00290019/step, 3.15025 hours remaining, 204.269531 MB of memory in use. ENERGY: 1089600 794.7566 2023.8180 1952.3821 101.7524 -205803.4611 17724.4188 0.0000 0.0000 34160.1144 -149046.2190 298.3288 -183206.3333 -148954.7710 299.1113 -91.6558 -57.7925 560346.3680 12.7320 12.5709 PRESSURE: 1089800 -32.2391 -23.2641 161.137 -23.264 150.257 9.32684 161.137 9.32583 78.4251 GPRESSURE: 1089800 16.4019 -25.7535 163.5 37.0023 148.386 -41.4676 158.078 17.5064 135.602 PRESSAVG: 1089800 -32.2029 -20.9113 -41.6538 -20.9113 -2.39049 -35.1905 -41.6538 -35.1905 1.13148 GPRESSAVG: 1089800 -31.9232 -20.6871 -41.7729 -22.6084 -1.83738 -34.0724 -40.9682 -33.6185 -0.0558595 TIMING: 1089800 CPU: 3165.14, 0.00290485/step Wall: 3165.14, 0.00290485/step, 3.15515 hours remaining, 204.269531 MB of memory in use. ENERGY: 1089800 733.1401 2069.0665 1944.0777 118.6117 -205966.0839 17887.2231 0.0000 0.0000 34280.9390 -148933.0259 299.3840 -183213.9648 -148835.1362 298.9365 65.4809 100.1300 558678.0811 -11.1540 -11.2722 PRESSURE: 1090000 -170.589 106.597 95.0587 106.597 -20.4872 -32.0078 95.0583 -32.0081 -134.754 GPRESSURE: 1090000 -161.57 129.258 146.142 27.1513 26.1931 51.9435 162.707 -101.404 -93.0456 PRESSAVG: 1090000 3.22472 -11.9877 83.8278 -11.9877 12.1346 40.136 83.8278 40.1361 -19.9279 GPRESSAVG: 1090000 4.28022 -10.2782 84.0244 -11.409 11.0545 38.3885 84.5647 39.7202 -19.9043 TIMING: 1090000 CPU: 3165.72, 0.00289179/step Wall: 3165.72, 0.00289179/step, 3.14081 hours remaining, 204.269531 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: 1090000 769.1736 2064.1160 1969.5102 124.7615 -205867.6778 17739.4760 0.0000 0.0000 34206.4388 -148994.2016 298.7333 -183200.6405 -148896.6777 299.6975 -108.6100 -76.1410 557377.3218 -1.5229 -1.5232 PRESSURE: 1090200 133.911 6.85397 -20.2234 6.85334 208.198 -152.46 -20.223 -152.459 190.621 GPRESSURE: 1090200 170.757 43.5098 -32.4459 -25.1272 223.356 -89.2503 3.79886 -180.893 222.314 PRESSAVG: 1090200 16.4666 -75.0341 31.4822 -75.034 4.33635 24.5412 31.4822 24.5412 12.6904 GPRESSAVG: 1090200 14.4131 -74.867 32.8238 -75.3144 4.61468 24.903 29.4977 25.8427 14.4471 TIMING: 1090200 CPU: 3166.31, 0.00292776/step Wall: 3166.31, 0.00292776/step, 3.17971 hours remaining, 204.328125 MB of memory in use. ENERGY: 1090200 741.6025 2084.8801 1942.9738 105.4536 -206324.2495 18137.3448 0.0000 0.0000 34318.3081 -148993.6866 299.7103 -183311.9947 -148897.7971 299.4434 177.5764 205.4755 556791.8199 11.1644 11.1583 PRESSURE: 1090400 -9.30105 21.0359 -81.4613 21.0368 156.321 152.944 -81.461 152.944 -148.731 GPRESSURE: 1090400 30.2797 -7.17594 -32.1216 62.9896 177.264 123.373 -109.88 146.591 -104.892 PRESSAVG: 1090400 53.3575 -31.5314 -32.8556 -31.5313 4.18843 48.4097 -32.8555 48.4097 -47.251 GPRESSAVG: 1090400 54.4304 -30.7633 -34.2877 -32.2322 5.08224 48.1616 -30.8573 47.4067 -48.9396 TIMING: 1090400 CPU: 3166.89, 0.0029157/step Wall: 3166.89, 0.0029157/step, 3.16645 hours remaining, 204.328125 MB of memory in use. ENERGY: 1090400 712.7341 2003.0714 1949.0601 117.3296 -205797.4964 17666.5067 0.0000 0.0000 34345.8148 -149002.9798 299.9505 -183348.7946 -148914.9190 299.9825 -0.5704 34.2172 557598.9412 3.4316 3.5244 PRESSURE: 1090600 -31.1839 -34.9456 -47.9665 -34.9461 135.34 167.494 -47.9663 167.495 35.3744 GPRESSURE: 1090600 -1.67269 -104.347 -42.559 44.4806 162.421 151.266 -27.5951 161.77 72.453 PRESSAVG: 1090600 -0.720744 5.50836 -0.798677 5.50841 -23.6799 26.4607 -0.798768 26.4609 35.8525 GPRESSAVG: 1090600 -1.51318 4.85016 -0.143805 6.11769 -23.6825 27.0489 -0.739094 28.0965 36.6659 TIMING: 1090600 CPU: 3167.47, 0.00291214/step Wall: 3167.47, 0.00291214/step, 3.16243 hours remaining, 204.328125 MB of memory in use. ENERGY: 1090600 752.0378 2060.3575 1995.9061 108.7256 -205928.9907 17815.3091 0.0000 0.0000 34243.4140 -148953.2407 299.0563 -183196.6547 -148852.8100 299.3375 46.5102 77.7337 557695.2914 3.8173 3.8234 PRESSURE: 1090800 100.148 -16.1984 4.96117 -16.1985 -301.134 -71.8076 4.96136 -71.8082 152.943 GPRESSURE: 1090800 82.4342 13.0125 -71.7585 -28.7095 -187.681 -118.898 40.0873 -28.7196 150.614 PRESSAVG: 1090800 1.61419 -8.35303 56.6789 -8.35318 -18.3588 0.510596 56.6788 0.510618 22.1258 GPRESSAVG: 1090800 1.49155 -8.22044 55.2553 -7.56847 -18.3695 -1.51388 56.3449 -0.384035 22.5593 TIMING: 1090800 CPU: 3168.06, 0.00292883/step Wall: 3168.06, 0.00292883/step, 3.18038 hours remaining, 204.328125 MB of memory in use. ENERGY: 1090800 724.0447 2039.1142 1939.5957 121.4370 -205713.4332 17489.6272 0.0000 0.0000 34499.8811 -148899.7334 301.2960 -183399.6145 -148804.0749 299.6537 -16.0142 15.1226 556339.6388 1.7937 1.8938 PRESSURE: 1091000 62.8002 61.1938 176.087 61.1942 146.033 111.737 176.087 111.736 -189.623 GPRESSURE: 1091000 133.031 51.5249 158.827 53.7304 132.769 88.3446 96.8408 64.4259 -145.796 PRESSAVG: 1091000 6.62534 -16.6549 15.4219 -16.6549 -2.81099 30.5347 15.4218 30.5346 19.7594 GPRESSAVG: 1091000 6.63658 -17.0455 14.9081 -17.261 -2.66617 33.3174 16.0263 30.6266 19.4224 TIMING: 1091000 CPU: 3168.64, 0.00291743/step Wall: 3168.64, 0.00291743/step, 3.16784 hours remaining, 204.328125 MB of memory in use. ENERGY: 1091000 773.7038 2120.5064 1977.9333 110.8608 -206129.5493 17708.0244 0.0000 0.0000 34521.4654 -148917.0552 301.4845 -183438.5206 -148822.3171 299.7263 6.4036 40.0012 555115.2186 7.8579 7.7976 PRESSURE: 1091200 65.531 146.725 143.32 146.724 2.67384 64.4579 143.32 64.4585 108.234 GPRESSURE: 1091200 83.6885 128.633 106.926 201.976 52.3212 8.51456 137.129 136.078 140.607 PRESSAVG: 1091200 15.7063 -12.5531 33.7356 -12.5531 -20.3962 18.3292 33.7357 18.3292 13.6457 GPRESSAVG: 1091200 16.119 -12.19 36.7629 -13.5417 -20.2354 16.0953 32.3199 18.9016 13.1666 TIMING: 1091200 CPU: 3169.22, 0.00290868/step Wall: 3169.22, 0.00290868/step, 3.15818 hours remaining, 204.328125 MB of memory in use. ENERGY: 1091200 734.6617 2045.7866 1963.0476 114.4042 -205832.0275 17760.3022 0.0000 0.0000 34326.6724 -148887.1529 299.7834 -183213.8253 -148789.9287 300.7159 58.8131 92.2054 556653.0240 2.9852 3.0167 PRESSURE: 1091400 -198.45 129.533 -78.782 129.534 185.193 -80.1212 -78.7808 -80.1223 -127.172 GPRESSURE: 1091400 -167.958 163.195 -26.8204 119.204 173.113 9.65242 -80.6019 -112.76 -61.2384 PRESSAVG: 1091400 -5.14688 85.1773 23.5766 85.1773 22.8916 10.0251 23.5766 10.0251 18.9802 GPRESSAVG: 1091400 -5.40514 87.3174 23.2812 85.2373 23.2398 13.7155 24.5132 8.63202 18.7748 TIMING: 1091400 CPU: 3169.8, 0.00290687/step Wall: 3169.8, 0.00290687/step, 3.15606 hours remaining, 204.328125 MB of memory in use. ENERGY: 1091400 724.0091 2163.4775 1945.5933 117.8196 -206004.4350 17757.2909 0.0000 0.0000 34361.9862 -148934.2585 300.0918 -183296.2447 -148837.3343 300.0871 -46.8096 -18.6944 557146.7197 12.2416 12.2032 PRESSURE: 1091600 165.191 -5.81749 -97.1249 -5.81777 117.458 9.77421 -97.1255 9.77426 43.4932 GPRESSURE: 1091600 208.056 59.4861 -45.2069 75.9376 89.1809 -44.3636 -72.3503 -1.89478 123.98 PRESSAVG: 1091600 -32.5407 22.0917 24.1495 22.0916 12.2339 17.504 24.1496 17.504 0.755609 GPRESSAVG: 1091600 -33.3671 16.7551 23.1241 24.0416 12.0491 16.4474 26.0661 17.3792 1.73273 TIMING: 1091600 CPU: 3170.39, 0.00291726/step Wall: 3170.39, 0.00291726/step, 3.16718 hours remaining, 204.328125 MB of memory in use. ENERGY: 1091600 740.7667 2130.8589 1976.0863 109.9143 -205918.5735 17734.7082 0.0000 0.0000 34664.7064 -148561.5326 302.7355 -183226.2391 -148469.2162 301.1219 108.7138 140.4058 555697.1959 -6.5171 -6.5284 PRESSURE: 1091800 45.6287 -111.338 88.9553 -111.337 385.554 32.389 88.9551 32.3891 -45.3734 GPRESSURE: 1091800 90.8786 -144.644 5.65176 -23.1426 432.574 41.2046 102.842 -25.1726 -30.1604 PRESSAVG: 1091800 -36.6471 13.708 56.1894 13.7081 70.3848 -12.1097 56.1894 -12.1097 11.153 GPRESSAVG: 1091800 -36.1946 18.1607 55.5452 10.9025 70.1199 -13.0447 55.4527 -13.7593 10.7021 TIMING: 1091800 CPU: 3170.97, 0.0029089/step Wall: 3170.97, 0.0029089/step, 3.15793 hours remaining, 204.328125 MB of memory in use. ENERGY: 1091800 758.1806 2087.4829 1962.7526 102.7303 -205996.4627 17936.0315 0.0000 0.0000 34507.6391 -148641.6458 301.3638 -183149.2849 -148545.6387 301.2225 128.6029 164.4308 557619.0487 14.9636 14.8758 PRESSURE: 1092000 -105.254 -1.27312 346.193 -1.27358 -174.005 -57.3932 346.193 -57.3929 -151.281 GPRESSURE: 1092000 -43.9414 -57.0611 317.464 52.2636 -150.503 -3.60361 345.74 -62.1239 -143.86 PRESSAVG: 1092000 18.7655 -10.0404 36.9546 -10.0404 -58.612 20.0688 36.9546 20.0688 28.1184 GPRESSAVG: 1092000 19.5826 -13.1933 36.5218 -7.54503 -57.867 19.9153 36.9846 19.8757 26.6094 TIMING: 1092000 CPU: 3171.55, 0.00290828/step Wall: 3171.55, 0.00290828/step, 3.1571 hours remaining, 204.328125 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: 1092000 751.5394 2099.9126 1937.8452 107.0625 -205435.2255 17485.2510 0.0000 0.0000 34320.6637 -148732.9511 299.7309 -183053.6148 -148642.6781 300.8972 -143.5132 -112.7679 559806.7148 -3.9094 -3.8917 PRESSURE: 1092200 -241.572 -34.0234 25.9879 -34.0248 -134.731 -156.708 25.9875 -156.708 -13.9661 GPRESSURE: 1092200 -154.761 -54.2482 153.012 36.6437 -126.606 -119.567 -69.7013 -113.342 5.12998 PRESSAVG: 1092200 31.1746 31.1695 32.682 31.1695 8.00223 -5.61819 32.682 -5.61828 -9.08651 GPRESSAVG: 1092200 31.9158 32.7697 32.2198 31.1297 6.76953 -4.55498 31.0123 -4.57083 -9.4561 TIMING: 1092200 CPU: 3172.13, 0.00290065/step Wall: 3172.13, 0.00290065/step, 3.14865 hours remaining, 204.328125 MB of memory in use. ENERGY: 1092200 764.1557 2079.3032 1970.7663 126.9454 -205808.1241 17682.2459 0.0000 0.0000 34412.8982 -148771.8095 300.5364 -183184.7077 -148660.8082 300.4504 -130.0898 -92.0791 559349.9838 10.0301 9.7431 LDB: ============= START OF LOAD BALANCING ============== 3175.6 LDB: ============== END OF LOAD BALANCING =============== 3175.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3175.6 LDB: ============= START OF LOAD BALANCING ============== 3175.89 LDB: Largest compute 4820 load 0.027385 is 23.3% of average load 0.117580 LDB: Average compute 0.001732 is 1.5% of average load 0.117580 LDB: TIME 3175.89 LOAD: AVG 0.11758 MAX 0.177049 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.266 MB LDB: TIME 3175.89 LOAD: AVG 0.11758 MAX 0.177049 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.281 MB LDB: TIME 3175.89 LOAD: AVG 0.11758 MAX 0.177049 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3175.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3175.9 PRESSURE: 1092400 268.314 -15.3944 -3.07243 -15.3944 -187.661 22.618 -3.07245 22.6161 285.887 GPRESSURE: 1092400 328.237 18.9671 51.1883 -70.3667 -135.74 82.9181 5.25882 2.13123 262.476 PRESSAVG: 1092400 42.9643 31.1795 3.39268 31.1795 -73.9547 -1.03256 3.39257 -1.03244 -40.3189 GPRESSAVG: 1092400 41.7551 31.4029 5.66949 30.422 -74.3663 -1.12569 3.55693 -1.31865 -39.0655 TIMING: 1092400 CPU: 3172.72, 0.00294553/step Wall: 3172.72, 0.00294553/step, 3.19721 hours remaining, 205.222656 MB of memory in use. ENERGY: 1092400 698.5873 2137.8380 1973.3072 104.4977 -205681.5211 17666.1334 0.0000 0.0000 34327.5857 -148773.5717 299.7913 -183101.1574 -148678.9434 300.2738 122.1801 151.6578 556604.2743 -23.7698 -23.8922 PRESSURE: 1092600 -153.212 -58.9558 -26.4401 -58.9562 80.1333 -40.6416 -26.44 -40.6427 78.7231 GPRESSURE: 1092600 -99.8393 -62.7352 -50.558 6.51616 114.447 49.8388 -31.7544 -41.1133 79.3428 PRESSAVG: 1092600 84.9914 -23.1767 -5.43499 -23.1767 -42.1673 -14.8631 -5.43505 -14.8631 -21.8931 GPRESSAVG: 1092600 84.4513 -26.3372 -6.3709 -23.1534 -41.5847 -15.1191 -4.34311 -12.8887 -22.0886 TIMING: 1092600 CPU: 3173.3, 0.00290307/step Wall: 3173.3, 0.00290307/step, 3.15096 hours remaining, 205.480469 MB of memory in use. ENERGY: 1092600 766.7118 2075.6937 1963.0006 113.7975 -206177.4404 18015.1888 0.0000 0.0000 34429.3475 -148813.7005 300.6801 -183243.0480 -148715.7943 300.6060 1.8815 31.3169 558222.3686 6.9770 6.9260 PRESSURE: 1092800 -109.34 8.93323 -10.9607 8.93339 -131.188 -61.0351 -10.9604 -61.033 12.0685 GPRESSURE: 1092800 -81.9186 -32.1138 40.1085 60.1435 -103.158 -218.421 -120.098 -13.1343 63.4831 PRESSAVG: 1092800 -29.8132 -17.6593 10.1465 -17.6592 29.5492 16.0653 10.1465 16.0653 16.3361 GPRESSAVG: 1092800 -29.1579 -16.3827 11.7498 -15.5646 29.347 15.9288 7.19526 14.7495 16.3099 TIMING: 1092800 CPU: 3173.88, 0.00289812/step Wall: 3173.88, 0.00289812/step, 3.14543 hours remaining, 205.480469 MB of memory in use. ENERGY: 1092800 766.1028 2139.6935 1980.5540 105.1809 -205984.6148 17801.6053 0.0000 0.0000 34393.0318 -148798.4465 300.3629 -183191.4783 -148708.0130 300.4336 -76.1531 -40.5312 557926.1303 5.3574 5.4997 PRESSURE: 1093000 38.9249 70.2565 27.3681 70.2563 -224.848 25.4561 27.369 25.4562 134.508 GPRESSURE: 1093000 83.4992 -10.9645 7.0521 115.629 -172.473 -19.3466 53.9865 -22.1306 127.215 PRESSAVG: 1093000 -19.7547 18.6818 30.8935 18.6819 -69.3333 1.10432 30.8936 1.1042 113.513 GPRESSAVG: 1093000 -20.2564 20.864 29.7958 16.5172 -68.7417 2.52731 33.8481 0.775866 113.527 TIMING: 1093000 CPU: 3174.46, 0.00289998/step Wall: 3174.46, 0.00289998/step, 3.14729 hours remaining, 205.480469 MB of memory in use. ENERGY: 1093000 765.2448 2153.3472 1950.6646 103.3210 -205948.8098 17703.8845 0.0000 0.0000 34508.4327 -148763.9149 301.3707 -183272.3476 -148669.2859 301.2229 -17.1383 12.7471 557801.2556 8.1415 8.1763 PRESSURE: 1093200 -47.6069 -47.1463 32.6905 -47.1458 56.5355 177.718 32.692 177.719 -229.945 GPRESSURE: 1093200 -33.5393 -57.381 96.3568 -4.66683 95.733 147.397 48.1584 177.559 -165.571 PRESSAVG: 1093200 -13.611 0.882374 -0.791876 0.882266 24.4763 15.7191 -0.791898 15.7191 24.8619 GPRESSAVG: 1093200 -13.2365 0.268963 -0.565563 0.0509316 24.2041 15.0525 -2.16581 15.5516 24.9969 TIMING: 1093200 CPU: 3175.04, 0.00291675/step Wall: 3175.04, 0.00291675/step, 3.16532 hours remaining, 205.480469 MB of memory in use. ENERGY: 1093200 756.0593 2127.9645 1963.3648 117.7986 -205620.0024 17585.0623 0.0000 0.0000 34553.9871 -148515.7658 301.7686 -183069.7529 -148418.8571 301.4506 -73.6721 -34.4591 557634.3141 11.9091 11.9881 PRESSURE: 1093400 -64.8111 154.897 -31.5696 154.896 130.092 -4.00698 -31.5698 -4.00631 -189.364 GPRESSURE: 1093400 -70.9855 171.696 -99.3672 84.6098 185.105 -64.4268 -5.31709 93.4442 -139.037 PRESSAVG: 1093400 -46.8334 26.9745 -63.7195 26.9744 33.9796 9.56537 -63.7194 9.56532 -4.33087 GPRESSAVG: 1093400 -46.8345 26.8117 -62.7798 28.3685 33.0823 7.31368 -63.9145 11.3721 -3.78771 TIMING: 1093400 CPU: 3175.63, 0.00291/step Wall: 3175.63, 0.00291/step, 3.15784 hours remaining, 205.480469 MB of memory in use. ENERGY: 1093400 736.9086 2127.5174 1999.4255 131.4670 -205570.7179 17493.8782 0.0000 0.0000 34604.7856 -148476.7355 302.2122 -183081.5212 -148380.2892 301.3205 -41.3610 -8.3057 557662.2272 -5.7282 -5.8466 PRESSURE: 1093600 113.997 -1.25918 24.6612 -1.25876 -253.417 -81.6693 24.6604 -81.6679 51.1922 GPRESSURE: 1093600 118.342 -6.8055 -120.673 -90.6832 -233.639 -82.9032 57.1763 -65.0506 114.589 PRESSAVG: 1093600 -17.9978 -16.2723 18.9153 -16.2723 -29.3942 -29.2487 18.9152 -29.2486 38.3777 GPRESSAVG: 1093600 -18.2474 -17.884 18.3296 -16.5888 -27.9217 -26.263 18.7089 -30.4018 36.6071 TIMING: 1093600 CPU: 3176.21, 0.00291311/step Wall: 3176.21, 0.00291311/step, 3.16105 hours remaining, 205.480469 MB of memory in use. ENERGY: 1093600 768.1222 2064.6010 1957.8197 113.3749 -205816.1428 17671.1774 0.0000 0.0000 34601.7291 -148639.3185 302.1855 -183241.0476 -148546.9132 301.6132 -29.4094 -0.2358 557699.9100 -3.0048 -3.1873 PRESSURE: 1093800 -391.885 90.5234 -7.0818 90.5241 -296.438 -71.2067 -7.08129 -71.2083 -432.668 GPRESSURE: 1093800 -379.89 73.1807 -32.9745 -37.3617 -242.208 -73.6974 20.8108 -73.4022 -390.363 PRESSAVG: 1093800 -69.7128 0.340003 -1.42442 0.340061 67.9189 -32.1304 -1.42434 -32.1304 38.9428 GPRESSAVG: 1093800 -71.136 2.72178 -3.28309 -1.64021 67.6505 -34.4649 0.618738 -31.8405 40.0404 TIMING: 1093800 CPU: 3176.79, 0.00291785/step Wall: 3176.79, 0.00291785/step, 3.16602 hours remaining, 205.480469 MB of memory in use. ENERGY: 1093800 751.3041 2083.2441 1931.7478 113.0153 -205626.1742 17500.7965 0.0000 0.0000 34390.7385 -148855.3278 300.3429 -183246.0664 -148757.0161 300.9188 -373.6633 -337.4872 560461.8924 12.3830 12.1850 PRESSURE: 1094000 282.689 276.916 131.255 276.917 129.483 -176.934 131.255 -176.935 140.753 GPRESSURE: 1094000 253.577 222.519 243.416 265.847 156.426 -62.0794 54.0039 -241.346 234.333 PRESSAVG: 1094000 55.3955 11.0168 -22.5668 11.0167 -93.9635 -35.1688 -22.5669 -35.1688 57.3891 GPRESSAVG: 1094000 56.8143 11.2873 -19.9661 13.7924 -94.8939 -34.9339 -23.8198 -34.2103 57.4311 TIMING: 1094000 CPU: 3177.38, 0.00292479/step Wall: 3177.38, 0.00292479/step, 3.1734 hours remaining, 205.480469 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: 1094000 764.0770 2064.3217 1912.3346 108.1493 -206153.1298 18035.8645 0.0000 0.0000 34457.3708 -148811.0119 300.9248 -183268.3827 -148716.6073 299.9499 184.3084 214.7783 557948.0434 6.2737 6.4505 PRESSURE: 1094200 -137.103 -97.0544 12.2507 -97.0546 -53.5888 34.6485 12.2502 34.6492 83.0044 GPRESSURE: 1094200 -111.723 -68.7451 50.8185 -133.666 39.3573 50.779 1.75766 15.1372 64.1775 PRESSAVG: 1094200 19.3834 3.50968 -30.3142 3.50963 -15.9682 -36.7009 -30.3143 -36.7009 6.02126 GPRESSAVG: 1094200 18.195 2.52769 -31.7731 1.59375 -13.6604 -36.1262 -28.7865 -38.0562 5.28676 TIMING: 1094200 CPU: 3177.96, 0.00293218/step Wall: 3177.96, 0.00293218/step, 3.18125 hours remaining, 205.480469 MB of memory in use. ENERGY: 1094200 760.7074 2128.3426 1946.7905 109.7757 -205952.8400 17739.2017 0.0000 0.0000 34423.5933 -148844.4287 300.6298 -183268.0221 -148753.4324 300.2013 -35.8957 -2.7294 558152.0315 3.1455 3.2738 PRESSURE: 1094400 -143.909 -28.8887 -64.5906 -28.8886 141.234 -97.0431 -64.5908 -97.0421 -473.297 GPRESSURE: 1094400 -111.944 9.32411 -195.713 27.2692 149.471 -103.751 24.6214 -73.7361 -415.904 PRESSAVG: 1094400 -1.2629 7.78248 42.9227 7.78261 -19.1101 -15.6877 42.9227 -15.6878 -40.7986 GPRESSAVG: 1094400 -0.220535 7.63683 42.8311 8.13903 -20.2177 -16.4362 43.3644 -15.9644 -40.045 TIMING: 1094400 CPU: 3178.55, 0.00291139/step Wall: 3178.55, 0.00291139/step, 3.15853 hours remaining, 205.480469 MB of memory in use. ENERGY: 1094400 719.8034 2061.1140 1936.5377 111.5915 -205991.8976 17779.8833 0.0000 0.0000 34503.9416 -148879.0260 301.3315 -183382.9676 -148775.7534 299.8908 -158.6574 -126.1258 559496.3610 -20.3905 -20.1611 PRESSURE: 1094600 -296.777 -160.766 -58.9669 -160.766 -84.3252 132.923 -58.9672 132.922 145.013 GPRESSURE: 1094600 -277.823 -143.518 -83.472 -181.861 -65.7144 162.239 -110.755 114.437 215.664 PRESSAVG: 1094600 23.7102 13.4429 -13.7373 13.4429 13.8593 -35.5798 -13.7372 -35.5798 -19.8425 GPRESSAVG: 1094600 23.587 11.8337 -13.3597 16.4724 13.7077 -33.1815 -14.708 -36.2994 -19.4805 TIMING: 1094600 CPU: 3179.13, 0.00292313/step Wall: 3179.13, 0.00292313/step, 3.17111 hours remaining, 205.480469 MB of memory in use. ENERGY: 1094600 732.5551 2114.5560 1947.5938 119.1798 -206012.9081 17799.0600 0.0000 0.0000 34259.0100 -149040.9534 299.1925 -183299.9634 -148945.6634 299.7659 -78.6963 -42.6242 558459.7550 5.9090 5.9381 PRESSURE: 1094800 -178.471 42.8867 37.5267 42.8881 87.9921 99.3643 37.527 99.3645 -131.4 GPRESSURE: 1094800 -156.901 76.6998 21.3228 -39.3915 105.578 56.2001 88.3385 65.5362 -75.7337 PRESSAVG: 1094800 -3.17802 -46.2248 -45.904 -46.2248 -9.17465 -29.1375 -45.9039 -29.1375 -10.4028 GPRESSAVG: 1094800 -3.19835 -43.539 -45.2165 -49.8005 -9.1358 -29.451 -44.2454 -28.3119 -9.89097 TIMING: 1094800 CPU: 3179.71, 0.00290874/step Wall: 3179.71, 0.00290874/step, 3.15534 hours remaining, 205.480469 MB of memory in use. ENERGY: 1094800 751.6518 2089.5851 1944.9764 110.7151 -206296.6110 17805.1466 0.0000 0.0000 34593.0639 -149001.4721 302.1098 -183594.5360 -148903.3115 299.6191 -73.9595 -42.3522 558817.7372 -7.5852 -7.4084 PRESSURE: 1095000 -375.302 -127.553 -128.839 -127.552 43.696 -98.0806 -128.839 -98.0811 -91.7926 GPRESSURE: 1095000 -330.776 -124.192 -121.417 -65.1134 4.33044 -102.994 -129.723 -92.4706 -9.10713 PRESSAVG: 1095000 -89.1737 -34.8316 -9.69906 -34.8316 12.4524 -22.5003 -9.69896 -22.5004 99.2987 GPRESSAVG: 1095000 -89.4476 -37.5622 -11.3503 -32.0562 11.5118 -23.1979 -12.0813 -22.6976 100.549 TIMING: 1095000 CPU: 3180.29, 0.00290196/step Wall: 3180.29, 0.00290196/step, 3.14782 hours remaining, 205.480469 MB of memory in use. ENERGY: 1095000 725.2157 2111.7329 1959.5340 115.4701 -205583.5326 17606.2881 0.0000 0.0000 34065.9856 -148999.3061 297.5067 -183065.2918 -148904.1071 299.4068 -141.1328 -111.8507 559032.6573 7.5258 7.5378 PRESSURE: 1095200 -20.351 -128.849 50.2751 -128.849 -150.502 -59.264 50.2741 -59.2649 -202.346 GPRESSURE: 1095200 48.8275 -109.808 119.624 -114.8 -120.689 -64.5473 -9.79265 -19.1869 -203.77 PRESSAVG: 1095200 -103.543 -42.3717 -3.60308 -42.3717 8.89913 -29.8236 -3.60313 -29.8236 69.5591 GPRESSAVG: 1095200 -102.983 -39.9333 -3.29197 -43.8126 9.5652 -30.1726 -1.51205 -27.7608 68.36 TIMING: 1095200 CPU: 3180.88, 0.00291095/step Wall: 3180.88, 0.00291095/step, 3.15741 hours remaining, 205.480469 MB of memory in use. ENERGY: 1095200 795.9940 2091.1618 1960.6762 120.2355 -205715.5673 17497.5713 0.0000 0.0000 34329.6231 -148920.3052 299.8091 -183249.9283 -148823.2344 299.6037 -124.3995 -91.8771 557433.0416 -8.3616 -8.3525 PRESSURE: 1095400 162.469 66.5613 153.908 66.5614 -213.248 -179.003 153.908 -179.004 -147.485 GPRESSURE: 1095400 204.288 55.3427 85.7052 80.4019 -181.721 -130.295 153.718 -271.89 -126.549 PRESSAVG: 1095400 -51.2412 -36.6826 25.3581 -36.6827 -2.66197 -16.327 25.3581 -16.327 0.819409 GPRESSAVG: 1095400 -52.5284 -37.1356 25.2591 -36.3597 -1.77203 -16.2944 26.3564 -17.8471 0.541107 TIMING: 1095400 CPU: 3181.45, 0.00287821/step Wall: 3181.45, 0.00287821/step, 3.12174 hours remaining, 205.480469 MB of memory in use. ENERGY: 1095400 738.2157 2020.0000 1993.0290 129.5675 -205639.7988 17499.5654 0.0000 0.0000 34318.4644 -148940.9567 299.7117 -183259.4212 -148836.2044 299.8385 -66.0880 -34.6606 557983.1044 -17.6946 -17.9198 PRESSURE: 1095600 34.6159 100.941 -10.9787 100.942 10.3151 -174.124 -10.9806 -174.124 191.492 GPRESSURE: 1095600 57.1147 17.5369 -10.3509 130.2 46.805 -219.304 -10.8133 -125.038 231.54 PRESSAVG: 1095600 -36.4307 15.0331 5.04749 15.0333 84.4078 -48.3001 5.04758 -48.3002 -41.0713 GPRESSAVG: 1095600 -35.3649 14.3888 3.89481 14.4006 83.2937 -49.4538 2.69077 -47.3572 -40.9649 TIMING: 1095600 CPU: 3182.03, 0.00289681/step Wall: 3182.03, 0.00289681/step, 3.14175 hours remaining, 205.550781 MB of memory in use. ENERGY: 1095600 757.8581 2039.0210 1957.5959 120.1353 -206160.0503 17967.4418 0.0000 0.0000 34395.9925 -148922.0059 300.3888 -183317.9983 -148822.6255 300.2674 78.8077 111.8199 558541.2555 2.3019 2.3213 PRESSURE: 1095800 125.871 114.68 139.28 114.678 97.6628 -3.69367 139.28 -3.69431 13.145 GPRESSURE: 1095800 203.876 65.9844 129.33 149.326 122.094 17.0368 188.318 32.5718 24.7367 PRESSAVG: 1095800 90.131 67.1976 21.9465 67.1976 -45.3088 -42.0269 21.9464 -42.027 -1.58207 GPRESSAVG: 1095800 90.9079 68.016 22.174 66.8939 -45.5467 -40.2392 22.4833 -44.2635 -2.3099 TIMING: 1095800 CPU: 3182.61, 0.00289874/step Wall: 3182.61, 0.00289874/step, 3.14368 hours remaining, 205.550781 MB of memory in use. ENERGY: 1095800 756.4576 2056.8658 1950.1188 114.0134 -206268.2262 17948.6637 0.0000 0.0000 34576.2199 -148865.8869 301.9627 -183442.1068 -148765.0069 300.7625 78.8931 116.9023 557277.7730 14.4134 14.3504 PRESSURE: 1096000 -140.942 106.673 36.1919 106.672 56.9539 61.3243 36.1932 61.3251 77.5499 GPRESSURE: 1096000 -165.144 152.406 -38.163 99.5933 97.4764 -26.1662 16.7769 -8.07963 170.369 PRESSAVG: 1096000 -58.0506 -24.5864 29.0374 -24.5864 43.4125 14.0833 29.0374 14.0833 36.8764 GPRESSAVG: 1096000 -59.6032 -23.3917 27.2216 -23.7371 42.9343 13.8304 31.8352 13.7184 38.6269 TIMING: 1096000 CPU: 3183.19, 0.00290448/step Wall: 3183.19, 0.00290448/step, 3.14975 hours remaining, 205.550781 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: 1096000 746.4620 2083.8745 1984.6941 114.4291 -205922.8028 17771.4659 0.0000 0.0000 34526.4913 -148695.3859 301.5284 -183221.8772 -148595.6409 300.8906 -2.1461 34.2339 555986.7962 7.4127 7.3193 PRESSURE: 1096200 24.0509 -185.444 50.9344 -185.445 -226.139 -162.153 50.9347 -162.154 -152.956 GPRESSURE: 1096200 -35.7682 -137.722 80.661 -217.303 -144.997 -199.413 -5.45165 -137.039 -69.8203 PRESSAVG: 1096200 0.896618 19.3999 -23.8997 19.3998 -4.0374 6.23491 -23.8997 6.23485 -0.595697 GPRESSAVG: 1096200 1.36217 18.6654 -21.8995 20.1137 -3.04885 7.7008 -25.7559 4.95191 -1.59465 TIMING: 1096200 CPU: 3183.77, 0.00289809/step Wall: 3183.77, 0.00289809/step, 3.14266 hours remaining, 205.550781 MB of memory in use. ENERGY: 1096200 776.2711 2115.1854 1962.0424 111.9660 -205130.3788 17320.4134 0.0000 0.0000 34294.8343 -148549.6662 299.5053 -182844.5004 -148449.7704 301.3403 -118.3480 -83.5285 557403.4347 -1.2455 -1.0938 LDB: ============= START OF LOAD BALANCING ============== 3187.23 LDB: ============== END OF LOAD BALANCING =============== 3187.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3187.23 LDB: ============= START OF LOAD BALANCING ============== 3187.53 LDB: Largest compute 4820 load 0.027539 is 23.4% of average load 0.117672 LDB: Average compute 0.001738 is 1.5% of average load 0.117672 LDB: TIME 3187.53 LOAD: AVG 0.117672 MAX 0.17691 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.25 MB LDB: TIME 3187.53 LOAD: AVG 0.117672 MAX 0.17691 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.324 MB LDB: TIME 3187.53 LOAD: AVG 0.117672 MAX 0.17691 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.324 MB LDB: ============== END OF LOAD BALANCING =============== 3187.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3187.53 PRESSURE: 1096400 -93.8047 74.1133 -93.7221 74.1118 14.0833 122.88 -93.7226 122.881 -87.082 GPRESSURE: 1096400 -13.2951 40.3133 -6.18443 93.807 30.8415 134.143 -163.094 140.931 -81.5132 PRESSAVG: 1096400 0.357734 -20.7849 1.92929 -20.7849 28.2416 -22.0279 1.92925 -22.0279 -46.6683 GPRESSAVG: 1096400 1.35373 -21.8392 2.65964 -19.9521 28.359 -24.3854 -0.21089 -19.1518 -47.7215 TIMING: 1096400 CPU: 3184.36, 0.00294259/step Wall: 3184.36, 0.00294259/step, 3.19075 hours remaining, 203.976562 MB of memory in use. ENERGY: 1096400 766.5420 2086.1232 1939.0235 107.4406 -205907.5383 17969.0878 0.0000 0.0000 34422.0781 -148617.2431 300.6166 -183039.3213 -148524.1852 301.1135 -55.6011 -21.3223 558800.6338 -6.0230 -6.0029 PRESSURE: 1096600 77.9387 -164 -202.296 -164.001 -7.22334 114.53 -202.296 114.532 -75.4728 GPRESSURE: 1096600 45.003 -202.926 -128.397 -42.1236 7.48919 69.2874 -188.867 141.995 20.742 PRESSAVG: 1096600 -75.0438 -80.5916 -67.0335 -80.5916 -2.22212 67.8418 -67.0334 67.8419 65.5332 GPRESSAVG: 1096600 -75.618 -80.7615 -66.6163 -80.894 -1.53975 69.8111 -65.6201 67.0142 65.578 TIMING: 1096600 CPU: 3184.94, 0.00290161/step Wall: 3184.94, 0.00290161/step, 3.14615 hours remaining, 204.234375 MB of memory in use. ENERGY: 1096600 734.0036 2067.4693 1986.9989 118.4896 -205838.1867 17717.6425 0.0000 0.0000 34496.8726 -148716.7103 301.2698 -183213.5829 -148617.3902 300.7805 -1.5858 24.4114 557659.1673 -3.9109 -3.8599 PRESSURE: 1096800 299.363 -145.759 156.229 -145.759 32.3512 -171.614 156.228 -171.614 124.623 GPRESSURE: 1096800 334.721 -85.3084 94.6934 -209.97 82.9211 -113.063 170.706 -148.665 146.876 PRESSAVG: 1096800 32.4477 -96.2558 -77.2286 -96.2559 -32.8947 -66.0755 -77.2287 -66.0758 41.7286 GPRESSAVG: 1096800 32.6096 -95.588 -79.326 -96.6884 -34.3498 -68.0857 -77.2046 -64.6451 43.0573 TIMING: 1096800 CPU: 3185.52, 0.00291437/step Wall: 3185.52, 0.00291437/step, 3.15982 hours remaining, 204.234375 MB of memory in use. ENERGY: 1096800 712.7857 2111.7470 1944.4912 106.8235 -206104.4126 18017.9709 0.0000 0.0000 34480.8054 -148729.7890 301.1294 -183210.5944 -148630.9230 300.5659 152.1125 188.1728 557016.4393 13.7605 13.7724 PRESSURE: 1097000 152.255 -10.4255 104.565 -10.4255 127.917 -10.4437 104.565 -10.4416 -13.6185 GPRESSURE: 1097000 200.738 -15.2565 43.479 34.7533 89.1598 -35.4426 85.7905 2.48435 70.3303 PRESSAVG: 1097000 44.021 -24.9242 -23.1129 -24.9241 -25.7314 8.71119 -23.1129 8.71116 40.5861 GPRESSAVG: 1097000 43.8699 -25.079 -22.8011 -23.2895 -26.0398 9.46087 -23.4478 6.98293 41.1545 TIMING: 1097000 CPU: 3186.1, 0.00291008/step Wall: 3186.1, 0.00291008/step, 3.15502 hours remaining, 204.234375 MB of memory in use. ENERGY: 1097000 720.2282 2085.4653 1965.9578 123.1324 -205787.7945 17752.8084 0.0000 0.0000 34501.7219 -148638.4805 301.3121 -183140.2024 -148541.4531 300.1779 88.8510 120.0759 556533.7034 19.6253 19.6615 PRESSURE: 1097200 153.511 -61.8208 72.7661 -61.8202 -183.961 15.9377 72.7652 15.9392 -124.393 GPRESSURE: 1097200 215.401 -27.7309 118.227 33.2465 -180.078 77.1267 97.2875 -48.9641 -97.3874 PRESSAVG: 1097200 17.1043 -41.9811 13.1675 -41.981 -26.7343 14.951 13.1675 14.951 12.7196 GPRESSAVG: 1097200 17.9984 -42.7041 13.9149 -41.7101 -26.4153 15.0894 12.0709 15.9428 11.4548 TIMING: 1097200 CPU: 3186.69, 0.00290997/step Wall: 3186.69, 0.00290997/step, 3.15473 hours remaining, 204.296875 MB of memory in use. ENERGY: 1097200 751.2212 2088.6496 1977.8943 130.5875 -205560.3091 17662.9746 0.0000 0.0000 34416.7743 -148532.2077 300.5702 -182948.9820 -148430.5865 301.0937 -51.6144 -20.6883 558183.1808 1.0299 1.0126 PRESSURE: 1097400 -244.509 -90.8983 -75.3779 -90.8983 -38.8701 5.98703 -75.377 5.98724 -129.031 GPRESSURE: 1097400 -189.716 -81.4927 -112.368 -67.3964 15.8638 -21.3055 -16.6126 -34.7702 -133.041 PRESSAVG: 1097400 14.5137 -24.8746 45.0146 -24.8747 -12.0315 47.2065 45.0146 47.2066 -20.9917 GPRESSAVG: 1097400 14.0679 -23.1512 44.0419 -27.0307 -11.8328 48.2202 46.9653 44.3736 -21.3406 TIMING: 1097400 CPU: 3187.27, 0.00291853/step Wall: 3187.27, 0.00291853/step, 3.16385 hours remaining, 204.296875 MB of memory in use. ENERGY: 1097400 755.2557 2094.7064 1987.2531 111.0331 -205350.3910 17594.8895 0.0000 0.0000 34480.4567 -148326.7965 301.1264 -182807.2532 -148231.0479 301.0740 -137.4702 -102.2979 558229.5949 -6.1698 -6.3685 PRESSURE: 1097600 -150.222 -23.7038 161.568 -23.7036 -123.753 49.3484 161.567 49.3495 107.926 GPRESSURE: 1097600 -139.378 -60.1183 173.804 52.4299 -95.983 9.76946 163.796 97.6055 163.589 PRESSAVG: 1097600 -74.5243 -22.358 10.3129 -22.3581 44.5124 86.1085 10.313 86.1087 93.0888 GPRESSAVG: 1097600 -74.758 -23.5414 12.1709 -21.7671 44.1665 85.785 7.86778 87.2791 94.2225 TIMING: 1097600 CPU: 3187.85, 0.00290187/step Wall: 3187.85, 0.00290187/step, 3.14562 hours remaining, 204.296875 MB of memory in use. ENERGY: 1097600 700.2709 2066.1932 1979.3216 124.0924 -205687.5396 17652.0915 0.0000 0.0000 34584.4086 -148581.1613 302.0342 -183165.5699 -148473.1843 300.8756 -55.3494 -23.9239 558635.9937 21.0256 21.2103 PRESSURE: 1097800 233.474 42.5809 147.726 42.5801 -56.0236 -42.2809 147.725 -42.2802 389.346 GPRESSURE: 1097800 241.417 122.211 120.581 16.0134 -35.9219 -22.7019 135.109 -37.1833 443.339 PRESSAVG: 1097800 -94.0161 50.1172 -11.75 50.1171 25.4711 37.5584 -11.75 37.5583 26.4046 GPRESSAVG: 1097800 -93.4025 50.2976 -13.7925 48.1099 25.3551 35.539 -10.3093 35.7915 26.2778 TIMING: 1097800 CPU: 3188.43, 0.00292151/step Wall: 3188.43, 0.00292151/step, 3.16675 hours remaining, 204.343750 MB of memory in use. ENERGY: 1097800 727.1495 2068.8065 1979.7684 120.8975 -206108.3635 17918.3910 0.0000 0.0000 34602.6963 -148690.6543 302.1940 -183293.3506 -148591.2996 300.6363 188.9320 216.2780 558366.6136 -14.0468 -13.9232 PRESSURE: 1098000 -45.7715 -72.1636 16.4783 -72.1633 -115.354 42.0517 16.4778 42.0512 66.6803 GPRESSURE: 1098000 -28.5423 -49.7046 120.721 -44.5157 -100.326 65.9824 -32.8722 50.4111 139.944 PRESSAVG: 1098000 8.93576 -23.168 -35.735 -23.168 -23.6703 6.57633 -35.735 6.57631 22.2051 GPRESSAVG: 1098000 7.46797 -22.1959 -32.0278 -21.3005 -22.5441 9.93728 -36.6861 8.13875 22.5979 TIMING: 1098000 CPU: 3189.02, 0.00291425/step Wall: 3189.02, 0.00291425/step, 3.15872 hours remaining, 204.343750 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: 1098000 759.9685 2121.8948 1967.1320 102.1689 -205567.7936 17460.4820 0.0000 0.0000 34595.1135 -148561.0340 302.1277 -183156.1475 -148468.1702 300.7199 -31.4817 3.6918 558539.1021 2.4902 2.5073 PRESSURE: 1098200 -70.622 -91.5097 -4.58665 -91.5097 -92.433 140.071 -4.58766 140.072 139.794 GPRESSURE: 1098200 -93.7528 -91.5323 58.5935 -143.402 -31.1357 128.557 -79.9777 150.256 202.515 PRESSAVG: 1098200 13.4761 -34.7925 30.4486 -34.7925 -97.9242 -19.0401 30.4486 -19.0401 72.9744 GPRESSAVG: 1098200 15.6988 -34.8092 27.6139 -35.1848 -97.9338 -21.5685 32.8233 -19.162 71.3293 TIMING: 1098200 CPU: 3189.6, 0.00293072/step Wall: 3189.6, 0.00293072/step, 3.17641 hours remaining, 204.343750 MB of memory in use. ENERGY: 1098200 716.2359 2070.2898 1952.6760 105.7089 -206177.6318 17852.4709 0.0000 0.0000 34598.5205 -148881.7298 302.1575 -183480.2503 -148788.2455 300.5562 -7.7535 25.8755 557506.5956 -3.8246 -3.6352 PRESSURE: 1098400 -151.485 98.0608 -28.6493 98.061 -254.146 42.7837 -28.6491 42.7833 -56.2452 GPRESSURE: 1098400 -95.8565 73.2399 31.2029 99.0129 -238.911 0.814657 -34.5688 61.8489 -18.3698 PRESSAVG: 1098400 10.4455 -29.4843 -24.2527 -29.4844 -37.0165 -39.7308 -24.2528 -39.7308 -14.6769 GPRESSAVG: 1098400 10.804 -30.9779 -22.562 -29.4426 -38.3195 -40.3982 -26.1158 -37.0734 -13.5676 TIMING: 1098400 CPU: 3190.19, 0.00291936/step Wall: 3190.19, 0.00291936/step, 3.16393 hours remaining, 204.343750 MB of memory in use. ENERGY: 1098400 736.3653 2112.6133 1956.2493 109.5093 -205468.6095 17397.5881 0.0000 0.0000 34423.4212 -148732.8630 300.6283 -183156.2842 -148631.0016 300.3466 -153.9587 -117.7126 558233.0020 -13.7493 -13.6943 PRESSURE: 1098600 348.453 30.0446 8.08438 30.0438 39.4989 80.039 8.08349 80.0386 -88.8337 GPRESSURE: 1098600 387.734 -51.0689 65.9952 46.1905 20.4685 -22.3931 -55.7573 189.127 -12.4664 PRESSAVG: 1098600 22.263 53.412 -13.8173 53.4121 -28.319 28.2922 -13.8173 28.2923 6.64203 GPRESSAVG: 1098600 22.1696 56.4349 -15.0709 51.797 -27.3406 29.4672 -14.0458 27.1993 5.9832 TIMING: 1098600 CPU: 3190.77, 0.0029137/step Wall: 3190.77, 0.0029137/step, 3.15764 hours remaining, 204.343750 MB of memory in use. ENERGY: 1098600 770.5297 2101.2807 1956.1696 122.6269 -206020.5527 17782.8882 0.0000 0.0000 34481.9547 -148805.1030 301.1395 -183287.0577 -148706.4294 300.7572 99.7062 131.9119 557551.1517 0.1953 0.2707 PRESSURE: 1098800 -219.331 39.1831 -103.282 39.183 -23.9245 31.7085 -103.282 31.7064 250.663 GPRESSURE: 1098800 -181.965 17.3437 -107.095 54.2699 44.7005 99.896 -61.0121 -28.0385 242.476 PRESSAVG: 1098800 13.7931 -6.03287 0.671531 -6.03285 -17.749 30.2196 0.671473 30.2196 -8.53591 GPRESSAVG: 1098800 14.3429 -8.38246 -0.609152 -5.60288 -17.9702 30.0076 2.60027 29.7625 -8.60483 TIMING: 1098800 CPU: 3191.36, 0.00293031/step Wall: 3191.36, 0.00293031/step, 3.17548 hours remaining, 204.343750 MB of memory in use. ENERGY: 1098800 714.6141 2078.0633 1968.8248 98.4020 -205790.2105 17693.7398 0.0000 0.0000 34476.9993 -148759.5673 301.0962 -183236.5666 -148659.5946 300.3845 2.4693 35.0707 558242.6194 -4.1639 -4.0774 PRESSURE: 1099000 -82.9618 -115.263 -80.7759 -115.263 213.388 -28.5595 -80.7749 -28.5602 156.768 GPRESSURE: 1099000 -7.93387 -87.005 -30.1583 -92.6258 217.028 11.7721 -61.0238 -27.3453 178.57 PRESSAVG: 1099000 -101.308 -5.41614 12.0275 -5.41624 45.0105 19.1354 12.0275 19.1352 30.3888 GPRESSAVG: 1099000 -102.049 -5.18672 13.396 -4.3958 44.4867 19.4509 10.2134 18.8163 31.1972 TIMING: 1099000 CPU: 3191.94, 0.00293865/step Wall: 3191.94, 0.00293865/step, 3.18436 hours remaining, 204.343750 MB of memory in use. ENERGY: 1099000 748.7635 2081.6950 1970.4591 120.0844 -206065.8882 18039.5529 0.0000 0.0000 34431.0439 -148674.2894 300.6949 -183105.3333 -148569.5983 300.7147 95.7313 129.2214 558417.0174 -8.6363 -8.7885 PRESSURE: 1099200 -180.463 112.525 -29.7546 112.526 85.671 60.0976 -29.7549 60.0978 43.9602 GPRESSURE: 1099200 -116.611 25.5754 24.3778 93.8153 105.574 63.8708 -63.3557 76.4612 60.3414 PRESSAVG: 1099200 -21.4015 11.9526 -24.6306 11.9527 -1.92796 35.475 -24.6306 35.4751 35.0325 GPRESSAVG: 1099200 -21.2234 11.9419 -24.5857 12.2952 -1.28497 34.6394 -23.1289 37.1274 34.3204 TIMING: 1099200 CPU: 3192.53, 0.00292968/step Wall: 3192.53, 0.00292968/step, 3.17447 hours remaining, 204.343750 MB of memory in use. ENERGY: 1099200 708.0704 2131.5718 1964.5343 118.1497 -205491.8662 17486.4746 0.0000 0.0000 34520.1232 -148562.9422 301.4728 -183083.0654 -148465.5722 300.5379 -16.9440 16.4349 557382.1107 3.9010 3.9373 PRESSURE: 1099400 212.258 188.769 71.468 188.771 155.49 10.7192 71.4693 10.7192 389 GPRESSURE: 1099400 235.77 231.3 69.1108 228.988 176.578 63.3191 116.148 -33.9241 429.625 PRESSAVG: 1099400 -23.5345 67.412 -21.5799 67.412 -16.3677 51.1549 -21.5799 51.1548 20.0654 GPRESSAVG: 1099400 -24.5232 65.3161 -21.7169 67.4882 -17.2166 51.2373 -22.7073 48.877 21.2385 TIMING: 1099400 CPU: 3193.11, 0.00291784/step Wall: 3193.11, 0.00291784/step, 3.16148 hours remaining, 204.343750 MB of memory in use. ENERGY: 1099400 738.8403 2123.6829 1998.5238 105.1443 -205922.4861 17958.2735 0.0000 0.0000 34397.4009 -148600.6204 300.4011 -182998.0214 -148499.8798 300.9974 252.2493 280.6575 555837.7025 -6.6122 -6.8338 PRESSURE: 1099600 -1.03509 -70.2687 -46.3906 -70.2687 94.2849 181.158 -46.3905 181.158 -196.507 GPRESSURE: 1099600 14.3156 -105.251 44.3499 -48.9067 111.41 151.605 -68.839 209.171 -124.431 PRESSAVG: 1099600 16.1314 80.7203 12.0148 80.7203 -44.8832 1.47403 12.0148 1.47409 6.71267 GPRESSAVG: 1099600 16.125 82.7968 9.54176 79.1379 -44.0606 1.40744 15.0273 2.86369 5.71864 TIMING: 1099600 CPU: 3193.7, 0.00291966/step Wall: 3193.7, 0.00291966/step, 3.16329 hours remaining, 204.343750 MB of memory in use. ENERGY: 1099600 693.5723 2105.6349 2005.5061 107.9572 -205399.2910 17546.0836 0.0000 0.0000 34354.7641 -148585.7728 300.0287 -182940.5368 -148489.7834 300.6194 -34.4190 0.4316 557603.8994 -7.3464 -7.4057 PRESSURE: 1099800 269.724 38.404 -139.83 38.4049 43.9753 -105.779 -139.83 -105.78 123.355 GPRESSURE: 1099800 200.755 52.6097 -166.689 107.846 147.149 -49.5363 -100.81 -112.182 185.842 PRESSAVG: 1099800 -64.0788 18.1108 -63.3409 18.1108 -23.8304 -3.98824 -63.3409 -3.98827 32.0508 GPRESSAVG: 1099800 -64.1604 18.2394 -61.398 19.6038 -24.5765 -3.54247 -67.0429 -5.4165 32.9582 TIMING: 1099800 CPU: 3194.28, 0.00289984/step Wall: 3194.28, 0.00289984/step, 3.14166 hours remaining, 204.343750 MB of memory in use. ENERGY: 1099800 761.2693 2085.2071 1979.2218 109.4160 -205779.8621 17999.5362 0.0000 0.0000 34263.8182 -148581.3935 299.2344 -182845.2117 -148484.5387 300.4209 145.6850 177.9152 558728.4092 -18.6195 -18.5929 PRESSURE: 1100000 -83.6414 203.494 -58.6812 203.494 -280.256 5.28248 -58.6827 5.2841 -334.333 GPRESSURE: 1100000 -50.2391 198.758 -65.6336 180.33 -240.569 41.5106 -106.499 -13.2039 -313.064 PRESSAVG: 1100000 0.456108 35.295 -56.565 35.2949 -20.6368 -42.809 -56.5649 -42.809 100.305 GPRESSAVG: 1100000 1.98508 35.0767 -55.6604 33.174 -21.0491 -43.2869 -56.3932 -43.0106 99.5319 TIMING: 1100000 CPU: 3194.86, 0.00289835/step Wall: 3194.86, 0.00289835/step, 3.13988 hours remaining, 204.343750 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: 1100000 738.9643 2068.6348 1975.3447 115.8228 -205176.2238 17408.0614 0.0000 0.0000 34410.6156 -148458.7802 300.5165 -182869.3958 -148362.3465 300.7612 -232.7435 -201.2908 559466.3518 26.7082 26.8226 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.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 -44.444 22.9533 62.6162 22.9531 -254.559 -157.106 62.6165 -157.106 -4.46794 GPRESSURE: 1100200 50.4605 -26.5646 -115.405 23.7026 -241.227 -160.435 55.9909 -95.1089 -7.90495 PRESSAVG: 1100200 35.3374 21.5221 -10.3707 21.5221 -17.0344 -12.4361 -10.3707 -12.4359 0.0945058 GPRESSAVG: 1100200 33.7528 21.3715 -10.7761 21.1877 -15.7811 -11.1696 -9.93731 -12.5753 0.238307 TIMING: 1100200 CPU: 3195.5, 0.00321961/step Wall: 3195.5, 0.0032196/step, 3.48773 hours remaining, 204.343750 MB of memory in use. ENERGY: 1100200 745.1885 2045.4681 1965.2812 112.1665 -205418.0436 17556.9593 0.0000 0.0000 34631.0962 -148361.8838 302.4420 -182992.9799 -148263.1661 301.5200 -101.1569 -66.2238 558626.9348 6.1325 6.0700 LDB: ============= START OF LOAD BALANCING ============== 3198.97 LDB: ============== END OF LOAD BALANCING =============== 3198.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.97 LDB: ============= START OF LOAD BALANCING ============== 3199.26 LDB: Largest compute 4820 load 0.027839 is 23.7% of average load 0.117637 LDB: Average compute 0.001734 is 1.5% of average load 0.117637 LDB: TIME 3199.26 LOAD: AVG 0.117637 MAX 0.179521 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.246 MB LDB: TIME 3199.26 LOAD: AVG 0.117637 MAX 0.179521 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.25 MB LDB: TIME 3199.26 LOAD: AVG 0.117637 MAX 0.179521 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3199.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3199.27 PRESSURE: 1100400 -176.92 -43.6928 58.1473 -43.6923 63.6507 -175.044 58.1475 -175.044 -199.692 GPRESSURE: 1100400 -134.423 -20.6969 102.739 14.79 105.9 -147.945 65.0735 -125.288 -191.465 PRESSAVG: 1100400 15.7181 1.97999 -18.6666 1.97999 13.9214 -34.6556 -18.6666 -34.6556 -22.2092 GPRESSAVG: 1100400 16.7081 3.74039 -17.0467 2.33788 14.212 -35.6803 -20.7525 -32.3746 -23.4645 TIMING: 1100400 CPU: 3196.09, 0.00295939/step Wall: 3196.09, 0.00295939/step, 3.20568 hours remaining, 204.492188 MB of memory in use. ENERGY: 1100400 705.3122 2036.6222 1994.2775 105.7941 -205028.7034 17350.4211 0.0000 0.0000 34394.2953 -148441.9810 300.3739 -182836.2762 -148341.2908 301.6632 -104.3205 -73.3291 557991.7928 2.4768 2.4852 PRESSURE: 1100600 -89.3998 -42.9262 -15.0709 -42.9275 -252.765 -52.2872 -15.0702 -52.2884 -210.497 GPRESSURE: 1100600 -91.8188 -30.4238 -15.5898 -19.1292 -217.292 -41.4797 7.71141 -55.8236 -158.142 PRESSAVG: 1100600 -25.6297 18.7865 -21.4362 18.7865 -35.5984 -68.5022 -21.4362 -68.5022 102.357 GPRESSAVG: 1100600 -25.3013 18.5268 -23.62 17.8617 -37.3531 -70.5223 -19.2547 -70.035 103.566 TIMING: 1100600 CPU: 3196.68, 0.00295133/step Wall: 3196.68, 0.00295133/step, 3.19678 hours remaining, 204.492188 MB of memory in use. ENERGY: 1100600 746.7485 2096.4033 1957.6782 116.0003 -205120.2884 17273.9088 0.0000 0.0000 34536.0757 -148393.4736 301.6121 -182929.5493 -148298.7877 301.2250 -184.2206 -155.7510 559488.9439 13.7097 13.6372 PRESSURE: 1100800 -74.9412 107.184 -68.9458 107.183 -120.874 63.1796 -68.9451 63.1816 12.5017 GPRESSURE: 1100800 -69.7804 148.543 -96.9224 109.55 -55.6809 173.152 -87.9533 -12.2547 41.5516 PRESSAVG: 1100800 33.0949 -8.07557 16.7253 -8.07551 -48.4245 -72.6559 16.7253 -72.6559 23.7518 GPRESSAVG: 1100800 31.875 -9.60363 19.6588 -5.24791 -47.8532 -74.0554 15.6197 -71.7494 24.1686 TIMING: 1100800 CPU: 3197.27, 0.00292817/step Wall: 3197.27, 0.00292817/step, 3.17154 hours remaining, 204.492188 MB of memory in use. ENERGY: 1100800 722.9395 2026.5883 1968.3370 112.0111 -205891.0065 17787.0772 0.0000 0.0000 34607.2756 -148666.7778 302.2339 -183274.0534 -148569.3756 301.3861 -61.1045 -27.9699 558808.5140 2.8074 2.7301 PRESSURE: 1101000 177.171 -92.3005 9.54748 -92.3015 214.656 -15.1671 9.54764 -15.1686 106.257 GPRESSURE: 1101000 221.437 -129.675 2.17939 -86.3365 236.002 55.4541 44.4433 -99.558 152.953 PRESSAVG: 1101000 30.5599 -4.65877 21.0743 -4.65879 -71.4026 28.0702 21.0742 28.0701 -7.6633 GPRESSAVG: 1101000 31.3411 -5.97928 17.6313 -3.5823 -71.0015 31.1789 22.9581 27.1967 -9.16804 TIMING: 1101000 CPU: 3197.85, 0.00291399/step Wall: 3197.85, 0.00291399/step, 3.15602 hours remaining, 204.492188 MB of memory in use. ENERGY: 1101000 737.6301 2058.8169 1980.7682 117.6976 -206378.4017 18198.6022 0.0000 0.0000 34590.4190 -148694.4677 302.0867 -183284.8867 -148597.3114 300.2870 166.0280 203.4642 556806.1803 -16.1687 -16.2761 PRESSURE: 1101200 -95.1981 -56.9645 -34.4116 -56.9651 -68.8029 -28.8964 -34.4105 -28.8969 108.226 GPRESSURE: 1101200 -95.3416 -43.524 -13.5572 -75.031 -27.7621 -71.0813 -61.6125 -38.7752 167.776 PRESSAVG: 1101200 40.8398 -38.8405 -51.2996 -38.8406 3.39257 14.7458 -51.2997 14.7457 -31.4912 GPRESSAVG: 1101200 40.026 -36.1928 -49.1186 -42.1515 3.71611 13.8991 -52.9544 14.6022 -30.8573 TIMING: 1101200 CPU: 3198.43, 0.00289398/step Wall: 3198.43, 0.00289398/step, 3.13418 hours remaining, 204.601562 MB of memory in use. ENERGY: 1101200 748.2902 2122.9512 1985.4407 121.4723 -205962.3768 17776.6359 0.0000 0.0000 34473.5760 -148734.0107 301.0663 -183207.5866 -148637.2302 300.4559 -18.5916 14.8907 557211.4722 4.2471 4.2949 PRESSURE: 1101400 331.264 -111.074 -114.991 -111.075 208.854 19.1254 -114.992 19.126 164.738 GPRESSURE: 1101400 282.686 -108.751 -65.4949 -208.787 267.521 -9.75718 -186.064 -52.8269 244.583 PRESSAVG: 1101400 -68.8505 -51.4997 2.32563 -51.4997 22.1318 -66.1193 2.32555 -66.1193 62.6977 GPRESSAVG: 1101400 -68.5879 -51.2502 1.83293 -50.3385 21.5481 -64.8977 3.60281 -65.2409 63.4173 TIMING: 1101400 CPU: 3199.01, 0.00289839/step Wall: 3199.01, 0.00289839/step, 3.1388 hours remaining, 204.601562 MB of memory in use. ENERGY: 1101400 752.5592 2100.2487 1957.6563 121.8198 -205952.0298 17958.3392 0.0000 0.0000 34424.4673 -148636.9392 300.6374 -183061.4065 -148546.6941 300.2315 234.9522 264.9301 555925.9353 5.3263 5.4592 PRESSURE: 1101600 -48.7601 17.4756 -140.566 17.4755 83.8781 45.867 -140.567 45.8674 -260.995 GPRESSURE: 1101600 -21.1905 -54.2989 -99.7834 51.6164 92.2087 26.6302 -173.176 68.0099 -220.721 PRESSAVG: 1101600 79.5074 -26.0141 5.52091 -26.0141 -27.4705 -6.02548 5.521 -6.02546 -69.6971 GPRESSAVG: 1101600 79.0697 -27.5871 5.32531 -24.4996 -27.5118 -6.67048 3.91265 -8.22992 -70.0195 TIMING: 1101600 CPU: 3199.59, 0.00291838/step Wall: 3199.59, 0.00291838/step, 3.16029 hours remaining, 204.601562 MB of memory in use. ENERGY: 1101600 745.9790 2084.1896 1960.7469 111.8266 -205707.8583 17595.2684 0.0000 0.0000 34517.2995 -148692.5483 301.4482 -183209.8478 -148589.1759 300.7897 -75.2922 -49.9009 557758.9993 -5.8867 -6.1539 PRESSURE: 1101800 -107.032 -23.5945 134.207 -23.5936 -236.366 79.437 134.207 79.4393 -24.4941 GPRESSURE: 1101800 -79.8219 33.8247 30.8148 -76.0212 -239.84 78.9113 179.657 5.37084 49.926 PRESSAVG: 1101800 19.1318 -6.62613 -74.9945 -6.62612 -21.2216 -7.70613 -74.9944 -7.70612 -11.2863 GPRESSAVG: 1101800 18.1138 -4.4456 -77.4041 -8.62427 -21.2721 -6.19188 -74.3986 -7.08718 -10.1188 TIMING: 1101800 CPU: 3200.18, 0.00291627/step Wall: 3200.18, 0.00291627/step, 3.15783 hours remaining, 204.601562 MB of memory in use. ENERGY: 1101800 789.1617 2137.2875 1950.1282 133.9308 -205786.6337 17590.7360 0.0000 0.0000 34500.7912 -148684.5984 301.3040 -183185.3896 -148582.2351 300.7068 -122.6307 -89.9121 558401.7119 -4.4587 -4.4257 PRESSURE: 1102000 70.8902 -90.038 -65.7841 -90.037 -181.854 202.061 -65.7843 202.061 230.211 GPRESSURE: 1102000 97.1842 -65.5639 -43.0411 -51.4529 -118.448 157.781 -79.5454 169.38 240.494 PRESSAVG: 1102000 -45.9141 -51.6535 -19.1064 -51.6536 28.8169 -3.01321 -19.1064 -3.01332 54.1922 GPRESSAVG: 1102000 -45.7999 -53.9355 -17.3666 -51.1383 29.3084 -3.91017 -17.315 -3.76281 53.3422 TIMING: 1102000 CPU: 3200.76, 0.00292886/step Wall: 3200.76, 0.00292886/step, 3.1713 hours remaining, 204.601562 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: 1102000 774.7230 2114.6993 1956.2561 109.2603 -206191.9386 17957.8987 0.0000 0.0000 34653.0934 -148626.0078 302.6341 -183279.1012 -148531.4113 301.2140 39.7489 73.0764 558066.0475 12.3650 12.2836 PRESSURE: 1102200 124.479 93.0135 20.8522 93.0123 8.30233 -4.12235 20.8521 -4.12194 130.124 GPRESSURE: 1102200 157.141 68.8491 57.039 89.7987 -27.382 -28.8703 19.7517 -10.4704 234.005 PRESSAVG: 1102200 -45.3227 -43.6231 4.62463 -43.6231 -46.6895 -18.4983 4.62467 -18.4982 52.3753 GPRESSAVG: 1102200 -45.131 -41.4294 4.24604 -43.7466 -46.614 -19.6802 3.34879 -16.4622 52.6504 TIMING: 1102200 CPU: 3201.35, 0.00292324/step Wall: 3201.35, 0.00292324/step, 3.16506 hours remaining, 204.601562 MB of memory in use. ENERGY: 1102200 728.8313 2056.7352 1962.7482 109.2930 -205813.6474 17775.3775 0.0000 0.0000 34558.2212 -148622.4409 301.8055 -183180.6621 -148526.6096 301.5237 87.6352 121.2546 559277.4350 -13.2123 -13.0315 PRESSURE: 1102400 -257.064 72.3242 -112.038 72.3238 -272.581 192.881 -112.038 192.881 -39.1607 GPRESSURE: 1102400 -211.445 68.5206 -170.838 134.529 -238.271 128.03 -84.4978 215.342 -9.69249 PRESSAVG: 1102400 14.1776 34.3844 -76.5323 34.3845 62.0259 32.6681 -76.5322 32.6681 -52.2882 GPRESSAVG: 1102400 15.054 33.204 -75.3866 33.1142 61.4067 33.9894 -77.3767 31.2459 -52.4031 TIMING: 1102400 CPU: 3201.93, 0.00292159/step Wall: 3201.93, 0.00292159/step, 3.16311 hours remaining, 204.601562 MB of memory in use. ENERGY: 1102400 772.0259 2059.0864 1967.4611 122.9236 -205584.2486 17624.0390 0.0000 0.0000 34398.6954 -148640.0173 300.4124 -183038.7126 -148537.0213 300.9622 -189.6017 -153.1360 560166.6503 7.9718 8.0192 PRESSURE: 1102600 -19.8675 65.0444 -170.376 65.0444 129.227 66.3882 -170.375 66.3873 -71.9274 GPRESSURE: 1102600 18.419 123.581 -64.7655 34.8567 160.282 110.907 -208.024 13.576 -46.2439 PRESSAVG: 1102600 -29.1989 56.9018 -24.2748 56.9019 55.4753 39.6183 -24.2748 39.6183 -24.9742 GPRESSAVG: 1102600 -30.1055 55.1692 -24.1524 59.5241 56.0726 40.4494 -25.7171 39.7393 -24.29 TIMING: 1102600 CPU: 3202.51, 0.00289975/step Wall: 3202.51, 0.00289975/step, 3.1393 hours remaining, 204.667969 MB of memory in use. ENERGY: 1102600 752.2173 2061.2473 1960.8634 121.2200 -205906.0830 17855.6284 0.0000 0.0000 34250.2283 -148904.6783 299.1158 -183154.9066 -148809.3832 300.4609 12.4773 44.1523 558943.9555 0.4341 0.5591 PRESSURE: 1102800 142.284 21.8425 36.6836 21.8433 -7.06322 16.5275 36.6835 16.5275 -121.71 GPRESSURE: 1102800 116.28 48.4028 -49.3248 93.5791 38.048 68.6436 74.0685 36.8533 -62.1088 PRESSAVG: 1102800 -1.82806 43.068 -42.56 43.068 60.2113 -26.1975 -42.56 -26.1976 -23.8635 GPRESSAVG: 1102800 -0.994751 44.5374 -43.6426 43.5483 59.5202 -29.3141 -40.7677 -25.5204 -24.588 TIMING: 1102800 CPU: 3203.1, 0.00292638/step Wall: 3203.1, 0.00292638/step, 3.16797 hours remaining, 204.667969 MB of memory in use. ENERGY: 1102800 760.5123 2079.1480 1991.8597 114.7397 -206049.4321 17761.0495 0.0000 0.0000 34283.7716 -149058.3512 299.4087 -183342.1228 -148964.7813 299.7055 4.5037 30.7398 558392.6430 11.5066 11.3125 PRESSURE: 1103000 94.7012 60.4027 -7.23407 60.4031 66.1867 -88.1228 -7.2361 -88.1226 241.016 GPRESSURE: 1103000 149.49 163.198 -36.1329 29.0962 81.5921 -69.8826 41.3401 -90.7263 269.446 PRESSAVG: 1103000 27.2806 54.2443 23.4944 54.2442 2.52415 -7.99256 23.4943 -7.99254 -44.3182 GPRESSAVG: 1103000 27.1116 55.8855 24.582 51.7736 3.66917 -7.45572 25.0359 -8.68904 -45.1719 TIMING: 1103000 CPU: 3203.68, 0.00293673/step Wall: 3203.68, 0.00293673/step, 3.17901 hours remaining, 204.667969 MB of memory in use. ENERGY: 1103000 757.9794 2036.9698 1968.4383 111.8254 -206482.0902 18099.3835 0.0000 0.0000 34393.7968 -149113.6969 300.3696 -183507.4937 -149011.8961 300.0238 133.9679 166.8426 557580.7788 -4.8378 -4.7970 PRESSURE: 1103200 -2.98098 -82.2355 32.7122 -82.2347 -76.7811 79.4426 32.7128 79.4419 -255.121 GPRESSURE: 1103200 -11.7091 -49.1332 -6.29171 -135.567 -24.8632 -21.4273 33.139 135.52 -214.961 PRESSAVG: 1103200 -8.73134 -15.5513 -49.1475 -15.5514 -20.3479 -24.6177 -49.1476 -24.6177 62.2114 GPRESSAVG: 1103200 -8.80042 -15.6237 -48.2173 -16.1027 -20.5042 -25.2053 -50.5765 -24.8472 62.5629 TIMING: 1103200 CPU: 3204.26, 0.00287784/step Wall: 3204.26, 0.00287784/step, 3.1151 hours remaining, 204.667969 MB of memory in use. ENERGY: 1103200 718.7241 2094.8078 1981.7772 122.4791 -205875.7848 17635.3474 0.0000 0.0000 34189.6975 -149132.9516 298.5871 -183322.6491 -149036.7040 299.3204 -111.6277 -83.8444 558759.1893 11.0441 11.0861 PRESSURE: 1103400 105.684 -42.3913 -256.579 -42.3901 -50.3428 108.475 -256.579 108.476 -254.104 GPRESSURE: 1103400 101.578 -37.707 -272.681 -56.0044 -17.8516 48.2564 -249.963 134.499 -173.907 PRESSAVG: 1103400 -46.4554 -47.4731 -63.5804 -47.4731 16.5684 -33.5322 -63.5803 -33.5321 35.4444 GPRESSAVG: 1103400 -47.3103 -49.1423 -65.2707 -44.9113 16.1367 -32.0386 -63.6141 -32.8057 36.4257 TIMING: 1103400 CPU: 3204.84, 0.00289254/step Wall: 3204.84, 0.00289254/step, 3.13085 hours remaining, 204.667969 MB of memory in use. ENERGY: 1103400 751.4729 2122.6828 1942.4458 108.4318 -205703.2083 17738.8072 0.0000 0.0000 34066.8214 -148972.5463 297.5140 -183039.3677 -148880.2089 299.9337 -66.2544 -30.0602 558873.4235 1.8525 1.7507 PRESSURE: 1103600 -116.988 105.668 12.6785 105.667 -207.407 29.4326 12.6788 29.4333 -95.0977 GPRESSURE: 1103600 -99.1969 136.805 98.4951 92.3962 -176.457 60.8889 -98.2767 66.3725 -36.5423 PRESSAVG: 1103600 -41.3035 3.94256 -3.72613 3.9426 47.3672 -10.8083 -3.72619 -10.8083 27.7795 GPRESSAVG: 1103600 -41.7722 5.9888 -3.75904 2.98769 47.8008 -11.4862 -4.7225 -10.179 27.4319 TIMING: 1103600 CPU: 3205.42, 0.00289185/step Wall: 3205.42, 0.00289185/step, 3.12995 hours remaining, 204.667969 MB of memory in use. ENERGY: 1103600 727.3375 2106.7417 1954.8235 119.5477 -205813.2780 17729.6786 0.0000 0.0000 34402.1756 -148772.9734 300.4428 -183175.1490 -148672.6351 300.2759 -139.8311 -104.0654 560520.7484 11.2810 11.1535 PRESSURE: 1103800 26.0814 53.1885 52.184 53.1895 -73.6514 -21.6367 52.184 -21.6385 -223.596 GPRESSURE: 1103800 81.1644 4.92429 130.275 47.0304 -79.1852 75.6092 75.5822 -21.918 -170.473 PRESSAVG: 1103800 16.7377 -11.1559 -13.4223 -11.156 -9.43329 -15.8361 -13.4221 -15.8361 -2.70708 GPRESSAVG: 1103800 17.2752 -12.963 -13.6308 -10.5477 -9.33835 -15.6671 -12.5067 -17.5632 -3.34776 TIMING: 1103800 CPU: 3206, 0.00289526/step Wall: 3206, 0.00289526/step, 3.13348 hours remaining, 204.667969 MB of memory in use. ENERGY: 1103800 754.8146 2047.4976 1980.2310 115.0484 -205809.7085 17742.3662 0.0000 0.0000 34316.2912 -148853.4596 299.6927 -183169.7508 -148755.2819 300.1824 -90.3886 -56.1645 558841.0136 1.5324 1.5297 PRESSURE: 1104000 -150.82 161.906 202.518 161.906 -20.6809 146.685 202.519 146.683 -143.493 GPRESSURE: 1104000 -75.1678 135.48 193.561 132.669 -27.4837 216.39 127.951 202.554 -115.262 PRESSAVG: 1104000 6.55562 -32.7828 -2.33555 -32.7828 7.13494 -23.6056 -2.33556 -23.6057 -33.0369 GPRESSAVG: 1104000 6.53687 -31.3751 -2.38571 -36.3215 6.0757 -23.2117 -1.79522 -23.1341 -31.5874 TIMING: 1104000 CPU: 3206.58, 0.00290191/step Wall: 3206.58, 0.00290191/step, 3.14051 hours remaining, 204.667969 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: 1104000 729.1285 2037.5275 1984.2002 125.9093 -205596.6822 17591.1060 0.0000 0.0000 34201.8694 -148926.9413 298.6934 -183128.8106 -148825.4878 299.7324 -104.9979 -72.6377 558721.0197 -6.4488 -6.3249 PRESSURE: 1104200 -225.18 192.518 160.944 192.519 -440.327 68.0072 160.945 68.0086 277.89 GPRESSURE: 1104200 -205.783 119.71 153.095 269.016 -417.942 -5.79503 98.2237 86.7958 333.914 PRESSAVG: 1104200 -12.597 -3.03645 25.9735 -3.03643 -38.1349 -63.7453 25.9735 -63.7455 114.316 GPRESSAVG: 1104200 -11.2877 -2.60331 27.3411 -1.1736 -37.7379 -63.3627 24.1529 -64.5446 112.406 TIMING: 1104200 CPU: 3207.17, 0.00294658/step Wall: 3207.17, 0.00294658/step, 3.1887 hours remaining, 204.667969 MB of memory in use. ENERGY: 1104200 670.1960 2131.6705 1970.3421 112.7062 -205285.2747 17373.0303 0.0000 0.0000 34272.4362 -148754.8934 299.3097 -183027.3296 -148656.7008 300.4418 -129.2057 -96.6032 559294.5864 21.1946 21.1267 LDB: ============= START OF LOAD BALANCING ============== 3210.63 LDB: ============== END OF LOAD BALANCING =============== 3210.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3210.64 LDB: ============= START OF LOAD BALANCING ============== 3210.93 LDB: Largest compute 4820 load 0.027435 is 23.3% of average load 0.117615 LDB: Average compute 0.001731 is 1.5% of average load 0.117615 LDB: TIME 3210.93 LOAD: AVG 0.117615 MAX 0.179919 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.324 MB LDB: TIME 3210.93 LOAD: AVG 0.117615 MAX 0.179919 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: TIME 3210.93 LOAD: AVG 0.117615 MAX 0.179919 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3210.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3210.94 PRESSURE: 1104400 -73.2732 43.7199 295.096 43.7201 -46.9995 -95.0197 295.094 -95.0189 -114.88 GPRESSURE: 1104400 14.0745 88.9111 289.404 4.21306 -67.9811 -138.079 277.266 -130.123 -80.7945 PRESSAVG: 1104400 -77.4535 10.3056 65.0827 10.3056 -27.5817 -23.7809 65.0827 -23.781 37.1585 GPRESSAVG: 1104400 -78.5746 10.6176 63.4491 9.54814 -26.8068 -23.4488 68.0695 -23.1051 38.1558 TIMING: 1104400 CPU: 3207.76, 0.00297247/step Wall: 3207.76, 0.00297247/step, 3.21654 hours remaining, 203.722656 MB of memory in use. ENERGY: 1104400 759.9675 2112.4725 1950.9298 105.5473 -205855.7740 17697.4051 0.0000 0.0000 34416.4334 -148813.0184 300.5673 -183229.4518 -148712.7550 299.8806 -78.3844 -44.9004 557402.4145 -22.6256 -22.4085 PRESSURE: 1104600 -99.5453 -8.72626 155.387 -8.72691 -114.396 -104.02 155.387 -104.021 -110.893 GPRESSURE: 1104600 -65.0716 27.5983 121.091 -29.0271 -64.1532 -151.016 120.941 -73.7018 -95.7043 PRESSAVG: 1104600 -25.5481 11.9488 21.5646 11.9489 9.29579 -62.0704 21.5645 -62.0704 73.5387 GPRESSAVG: 1104600 -26.0426 9.1495 21.569 14.1629 9.20571 -62.4889 20.5864 -62.439 74.3344 TIMING: 1104600 CPU: 3208.35, 0.00294348/step Wall: 3208.35, 0.00294348/step, 3.18501 hours remaining, 203.925781 MB of memory in use. ENERGY: 1104600 763.9840 2131.8849 1938.9581 114.0051 -205533.1951 17622.6581 0.0000 0.0000 34185.0535 -148776.6514 298.5466 -182961.7049 -148681.6039 300.1056 -108.2779 -74.9764 557279.3411 19.0955 19.1658 PRESSURE: 1104800 -27.511 69.3466 48.3854 69.3456 127.856 129.134 48.3855 129.133 -60.2345 GPRESSURE: 1104800 33.215 145.399 58.7847 128.064 128.967 23.9996 1.8947 55.6037 -34.8009 PRESSAVG: 1104800 23.076 -11.2527 41.2243 -11.2528 -22.8263 -31.642 41.2244 -31.6419 -42.6209 GPRESSAVG: 1104800 22.8436 -10.4843 41.8877 -13.2378 -22.9478 -31.0424 39.8306 -32.4571 -42.5464 TIMING: 1104800 CPU: 3208.93, 0.0029104/step Wall: 3208.93, 0.0029104/step, 3.14905 hours remaining, 203.925781 MB of memory in use. ENERGY: 1104800 736.7603 2119.4662 1971.1157 112.3933 -205521.2313 17480.2814 0.0000 0.0000 34426.8178 -148674.3965 300.6580 -183101.2143 -148581.4156 299.8715 13.3701 42.4604 555815.6697 -14.1237 -14.2169 PRESSURE: 1105000 -51.5303 18.9896 293.988 18.9913 -32.0808 -82.19 293.988 -82.1904 -132.039 GPRESSURE: 1105000 -36.972 32.0183 205.786 52.9737 19.4818 -171.252 258.861 11.1562 -91.1767 PRESSAVG: 1105000 32.2494 30.0905 -45.7656 30.0905 15.9842 11.9021 -45.7656 11.9021 -65.9723 GPRESSAVG: 1105000 33.7879 31.5344 -46.6626 29.4243 15.0275 10.1971 -45.6397 13.0036 -66.4493 TIMING: 1105000 CPU: 3209.52, 0.00292563/step Wall: 3209.52, 0.00292563/step, 3.16537 hours remaining, 203.925781 MB of memory in use. ENERGY: 1105000 727.2066 2085.1563 1946.0729 112.1233 -205613.6475 17591.2405 0.0000 0.0000 34351.5061 -148800.3419 300.0002 -183151.8479 -148704.9312 300.1220 -71.8833 -36.2223 559328.4302 -5.9129 -5.8780 PRESSURE: 1105200 52.8161 14.4568 98.0498 14.4578 82.3148 -76.2747 98.0502 -76.2753 -246.628 GPRESSURE: 1105200 81.451 19.3707 33.3942 20.2309 81.6231 -34.4214 135.528 -51.8974 -185.549 PRESSAVG: 1105200 13.2996 -11.1821 66.1448 -11.1821 42.7554 -47.6608 66.1448 -47.6609 -51.8541 GPRESSAVG: 1105200 12.3406 -12.374 69.1973 -10.5115 43.6018 -46.2004 63.9645 -48.6521 -51.9707 TIMING: 1105200 CPU: 3210.1, 0.0029265/step Wall: 3210.1, 0.0029265/step, 3.16614 hours remaining, 203.964844 MB of memory in use. ENERGY: 1105200 784.3187 2085.9590 1954.6325 108.6077 -206036.8125 17747.9724 0.0000 0.0000 34666.1797 -148689.1426 302.7484 -183355.3222 -148589.4250 300.7449 -37.1658 -7.4916 557511.2044 1.4003 1.3239 PRESSURE: 1105400 122.079 -56.5577 -68.0463 -56.5579 -183.126 4.20345 -68.0464 4.20504 -17.27 GPRESSURE: 1105400 183.363 0.588769 -40.4945 -156.403 -175.001 -13.0386 53.3462 38.9526 9.94502 PRESSAVG: 1105400 -28.1708 -24.4798 -8.74136 -24.4797 19.6512 -23.6815 -8.74142 -23.6814 -42.8721 GPRESSAVG: 1105400 -29.2641 -26.6952 -12.4752 -24.1169 20.0833 -25.8235 -7.0697 -22.0685 -42.4885 TIMING: 1105400 CPU: 3210.69, 0.00292541/step Wall: 3210.69, 0.00292541/step, 3.16481 hours remaining, 203.964844 MB of memory in use. ENERGY: 1105400 791.8888 2133.3636 1976.0644 102.5820 -205734.0124 17835.4634 0.0000 0.0000 34252.7300 -148641.9202 299.1376 -182894.6502 -148549.5399 300.3979 -26.1054 6.1025 559470.6139 -17.1306 -17.2231 PRESSURE: 1105600 -45.8806 208.524 -13.4981 208.523 97.1819 -67.6576 -13.4976 -67.6578 125.111 GPRESSURE: 1105600 -6.90689 141.239 58.3528 198.862 143.08 -13.4038 -32.0979 -76.2884 144.205 PRESSAVG: 1105600 8.87349 -1.24148 -18.7674 -1.24147 -28.8854 16.9819 -18.7673 16.982 -10.2767 GPRESSAVG: 1105600 9.97046 3.63382 -16.6191 -3.14115 -29.2239 18.6432 -19.2253 16.2655 -11.3158 TIMING: 1105600 CPU: 3211.27, 0.00290006/step Wall: 3211.27, 0.00290006/step, 3.13722 hours remaining, 203.964844 MB of memory in use. ENERGY: 1105600 740.7188 2178.1167 1970.8922 104.5860 -205867.7644 17857.1579 0.0000 0.0000 34376.9390 -148639.3539 300.2224 -183016.2929 -148542.2568 300.3706 58.8042 93.4594 558214.5815 -10.0962 -10.1898 PRESSURE: 1105800 179.492 142.873 122.98 142.872 7.05889 -7.09232 122.981 -7.09089 228.393 GPRESSURE: 1105800 167.552 109.012 61.6126 150.783 99.4416 -12.6674 86.7691 68.7592 258.077 PRESSAVG: 1105800 16.2072 -32.2524 35.4922 -32.2526 28.5372 12.7413 35.4923 12.7413 9.49235 GPRESSAVG: 1105800 15.3924 -34.0486 34.3374 -31.3917 28.4746 11.6336 35.4243 15.2805 9.93376 TIMING: 1105800 CPU: 3211.85, 0.00291575/step Wall: 3211.85, 0.00291575/step, 3.15403 hours remaining, 203.964844 MB of memory in use. ENERGY: 1105800 738.6992 2136.6248 1961.2015 103.2498 -205874.0102 17827.1260 0.0000 0.0000 34537.5481 -148569.5608 301.6250 -183107.1089 -148468.0292 300.5300 138.3145 175.0234 557975.9098 18.0789 17.9336 PRESSURE: 1106000 -150.903 -106.198 84.632 -106.198 -322.181 -19.9237 84.6318 -19.9242 -47.3647 GPRESSURE: 1106000 -121.775 -150.882 24.5237 -43.4628 -285.82 -39.2296 139.682 51.7218 -22.2015 PRESSAVG: 1106000 -54.7317 59.1943 10.8716 59.1943 -45.8164 15.8515 10.8716 15.8515 53.4251 GPRESSAVG: 1106000 -53.9761 59.3223 10.1719 60.9957 -45.4614 15.9611 10.1441 15.0512 52.1801 TIMING: 1106000 CPU: 3212.43, 0.00289678/step Wall: 3212.43, 0.00289678/step, 3.13335 hours remaining, 203.964844 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: 1106000 737.6569 2130.2562 1977.7056 121.2135 -205402.3696 17357.4612 0.0000 0.0000 34403.4178 -148674.6584 300.4536 -183078.0762 -148579.9065 300.6571 -173.4830 -143.2657 558473.6607 -15.7076 -15.7525 PRESSURE: 1106200 -8.10428 105.782 -16.7738 105.781 -142.678 37.3832 -16.7745 37.382 466.382 GPRESSURE: 1106200 100.394 64.9051 -44.795 155.772 -137.656 136.188 -99.7526 -21.0779 448.245 PRESSAVG: 1106200 17.9505 30.0467 42.242 30.0467 -34.0071 26.5451 42.2419 26.5451 44.313 GPRESSAVG: 1106200 17.3397 28.1069 43.4466 31.6052 -34.3657 30.0966 40.923 22.9599 45.3441 TIMING: 1106200 CPU: 3213.01, 0.0029163/step Wall: 3213.01, 0.0029163/step, 3.1543 hours remaining, 203.964844 MB of memory in use. ENERGY: 1106200 742.1552 2123.4381 1971.7201 115.4195 -205500.5236 17573.0379 0.0000 0.0000 34115.3292 -148859.4236 297.9377 -182974.7528 -148766.7405 300.0797 105.1998 136.9942 556685.0747 9.4188 9.4394 PRESSURE: 1106400 -311.567 94.4425 -120.214 94.4413 -86.6782 -31.4728 -120.214 -31.4713 -249.914 GPRESSURE: 1106400 -314.732 83.6198 2.86804 68.5647 -12.9656 -70.0151 -132.12 20.9642 -227.058 PRESSAVG: 1106400 -9.55211 2.29277 13.9766 2.29273 15.8119 56.5595 13.9764 56.5594 30.3687 GPRESSAVG: 1106400 -9.82514 5.1087 14.6359 -2.43043 16.0603 55.6662 16.0893 58.9278 30.6109 TIMING: 1106400 CPU: 3213.6, 0.00291594/step Wall: 3213.6, 0.00291594/step, 3.15375 hours remaining, 203.964844 MB of memory in use. ENERGY: 1106400 736.5107 2057.1120 1936.3978 113.6286 -205718.5849 17372.8356 0.0000 0.0000 34378.3970 -149123.7032 300.2351 -183502.1002 -149032.4103 298.8775 -216.0533 -184.9186 557989.8886 12.2095 12.2820 PRESSURE: 1106600 48.0648 89.2137 169.945 89.2134 86.1889 -21.8555 169.945 -21.8554 157.808 GPRESSURE: 1106600 88.0739 117.642 187.454 41.9046 96.7993 -20.3967 221.515 -56.3329 188.596 PRESSAVG: 1106600 4.76168 36.1233 32.594 36.1233 -5.20477 -19.8801 32.5939 -19.8802 24.2643 GPRESSAVG: 1106600 5.49529 34.3648 31.3467 36.388 -5.2345 -19.9207 32.7064 -21.3993 24.088 TIMING: 1106600 CPU: 3214.18, 0.00290386/step Wall: 3214.18, 0.00290386/step, 3.14052 hours remaining, 203.964844 MB of memory in use. ENERGY: 1106600 760.5764 2058.3278 1995.2140 122.3589 -205929.5332 17886.0835 0.0000 0.0000 34140.0871 -148966.8855 298.1539 -183106.9726 -148870.7073 299.2559 97.3540 124.4898 558134.6651 7.9404 8.1163 PRESSURE: 1106800 -89.5258 -1.4748 109.044 -1.47539 -377.415 -17.6967 109.045 -17.6957 -234.944 GPRESSURE: 1106800 -54.8603 44.3527 100.647 -16.0309 -333.138 50.3493 113.587 -4.34025 -214.426 PRESSAVG: 1106800 26.5935 35.5803 11.8195 35.5803 -36.4463 -4.35229 11.8196 -4.35229 -20.0264 GPRESSAVG: 1106800 25.6035 36.2087 9.14531 37.2111 -35.3538 -5.64 12.5245 -2.08021 -20.0295 TIMING: 1106800 CPU: 3214.76, 0.00292328/step Wall: 3214.76, 0.00292328/step, 3.16136 hours remaining, 204.167969 MB of memory in use. ENERGY: 1106800 764.5526 2082.5774 1942.6422 112.2829 -205675.9121 17472.1268 0.0000 0.0000 34149.2947 -149152.4354 298.2343 -183301.7301 -149057.2813 299.4485 -233.9617 -200.8082 559790.0785 -9.9597 -9.9266 PRESSURE: 1107000 94.3872 15.2452 49.4233 15.2456 202.22 84.9994 49.4231 85.0002 -65.7665 GPRESSURE: 1107000 132.231 30.3991 116.09 -21.1077 192.841 37.6303 58.5944 87.9322 -8.33148 PRESSAVG: 1107000 10.6185 33.1317 -11.581 33.1316 21.0353 13.4351 -11.5809 13.4351 -59.6343 GPRESSAVG: 1107000 11.822 33.3024 -7.43578 35.4623 19.9688 14.489 -14.3559 11.0237 -59.8502 TIMING: 1107000 CPU: 3215.34, 0.00289396/step Wall: 3215.34, 0.00289396/step, 3.1295 hours remaining, 204.167969 MB of memory in use. ENERGY: 1107000 669.2501 2093.0837 1962.1210 123.6236 -206184.3976 17872.6482 0.0000 0.0000 34398.6389 -149065.0321 300.4119 -183463.6710 -148967.8401 299.4633 76.9467 105.5803 559570.2418 -9.3268 -9.3531 PRESSURE: 1107200 378.208 40.1733 -221.376 40.1732 323.282 75.5867 -221.378 75.5848 162.122 GPRESSURE: 1107200 453.41 38.6815 -247.971 43.3042 291.061 154.041 -267.722 134.319 206.906 PRESSAVG: 1107200 -3.43974 1.50699 -42.0645 1.50702 36.892 16.4875 -42.0644 16.4875 -48.425 GPRESSAVG: 1107200 -3.39117 1.84905 -43.412 -1.91078 37.6999 15.3267 -40.9621 18.6432 -49.0832 TIMING: 1107200 CPU: 3215.92, 0.00290245/step Wall: 3215.92, 0.00290245/step, 3.13851 hours remaining, 204.167969 MB of memory in use. ENERGY: 1107200 688.0730 2077.6507 1999.8829 99.2893 -206516.3549 18283.5350 0.0000 0.0000 34051.8361 -149316.0879 297.3832 -183367.9240 -149222.3819 299.2362 287.8708 317.1258 558659.4835 -4.9909 -4.9248 PRESSURE: 1107400 -108.436 67.8762 56.9997 67.877 -52.1547 71.2591 57.0007 71.2608 -145.316 GPRESSURE: 1107400 -134.467 38.5307 2.1368 60.0604 45.2702 69.5406 51.4395 37.8726 -118.253 PRESSAVG: 1107400 16.8412 -52.1684 30.3389 -52.1684 42.7973 13.946 30.339 13.9462 -30.6607 GPRESSAVG: 1107400 16.0676 -53.6458 29.1201 -49.8118 42.4733 15.9725 32.2536 12.2036 -29.056 TIMING: 1107400 CPU: 3216.5, 0.00290107/step Wall: 3216.5, 0.00290107/step, 3.13686 hours remaining, 204.167969 MB of memory in use. ENERGY: 1107400 696.4537 2078.8879 1948.7151 109.1158 -206113.3960 17629.1673 0.0000 0.0000 34287.3394 -149363.7168 299.4399 -183651.0562 -149263.8604 298.6216 -101.9689 -69.1499 558089.8073 9.6593 9.8283 PRESSURE: 1107600 11.1996 -64.949 26.1249 -64.9493 56.3553 -65.3469 26.126 -65.3491 6.7849 GPRESSURE: 1107600 57.8525 -75.2788 -64.5917 -11.7466 79.314 -57.4702 70.5177 -99.819 39.186 PRESSAVG: 1107600 38.2482 27.8018 -22.1982 27.8017 -10.063 -7.60922 -22.1983 -7.60929 -45.684 GPRESSAVG: 1107600 37.793 28.7096 -20.471 26.9162 -9.40654 -8.93679 -23.753 -6.3876 -45.9708 TIMING: 1107600 CPU: 3217.09, 0.00295221/step Wall: 3217.09, 0.00295221/step, 3.192 hours remaining, 204.167969 MB of memory in use. ENERGY: 1107600 710.0678 2036.4722 1968.6095 120.2649 -206522.4890 17824.5689 0.0000 0.0000 34335.2470 -149527.2587 299.8583 -183862.5057 -149427.9391 298.1350 24.7799 58.7842 555271.4196 -5.8329 -5.8614 PRESSURE: 1107800 -23.4117 129.501 123.712 129.501 -51.7044 145.008 123.711 145.008 -45.793 GPRESSURE: 1107800 37.4705 150.632 110.174 42.1656 0.883959 105.405 63.5539 139.838 -63.4767 PRESSAVG: 1107800 -26.8278 -31.5004 -25.3027 -31.5004 21.8869 -11.9103 -25.3027 -11.9103 -22.7964 GPRESSAVG: 1107800 -25.126 -31.4403 -27.0795 -30.3932 20.8342 -13.6635 -24.2633 -11.861 -23.5582 TIMING: 1107800 CPU: 3217.67, 0.00291395/step Wall: 3217.67, 0.00291395/step, 3.15047 hours remaining, 204.167969 MB of memory in use. ENERGY: 1107800 746.4826 2060.2841 1961.6091 98.9530 -206421.9761 17899.4509 0.0000 0.0000 34199.8693 -149455.3271 298.6760 -183655.1964 -149357.9536 298.0032 -40.3030 -8.3741 557860.5538 -9.2457 -9.2833 PRESSURE: 1108000 -88.3266 98.021 102.161 98.0197 10.0817 124.765 102.161 124.766 -370.543 GPRESSURE: 1108000 -115.359 132.71 180.213 5.44377 33.0905 59.933 23.1958 150.517 -280.475 PRESSAVG: 1108000 40.6318 -45.343 -5.26382 -45.343 27.9222 44.0984 -5.26383 44.0985 -49.3735 GPRESSAVG: 1108000 39.0863 -44.9677 -4.88654 -45.9686 28.1002 45.163 -5.76961 44.6785 -48.6144 TIMING: 1108000 CPU: 3218.25, 0.0028969/step Wall: 3218.25, 0.0028969/step, 3.13187 hours remaining, 204.167969 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: 1108000 716.3720 2080.8506 1996.8911 111.5724 -206049.8044 17663.8213 0.0000 0.0000 34042.2628 -149438.0341 297.2995 -183480.2969 -149343.2267 298.1954 -149.5961 -120.9145 556920.7826 6.3935 6.1907 PRESSURE: 1108200 -6.97954 -59.7747 102.779 -59.774 -17.1785 7.297 102.779 7.29602 42.3179 GPRESSURE: 1108200 73.4787 -55.773 39.174 6.19433 -15.0518 103.554 112.752 13.2971 65.5388 PRESSAVG: 1108200 18.6251 -6.29292 42.7639 -6.29293 11.9309 -55.2113 42.7639 -55.2113 14.763 GPRESSAVG: 1108200 19.4369 -6.25796 44.6625 -6.30963 10.9718 -54.467 41.4339 -56.4171 14.7741 TIMING: 1108200 CPU: 3218.84, 0.00291722/step Wall: 3218.84, 0.00291722/step, 3.15368 hours remaining, 204.167969 MB of memory in use. ENERGY: 1108200 720.2316 2118.1805 1975.8091 100.2179 -206672.5135 17847.6302 0.0000 0.0000 34327.0161 -149583.4281 299.7864 -183910.4442 -149480.1382 298.1096 6.0533 41.3219 556095.0514 15.1063 15.0609 LDB: ============= START OF LOAD BALANCING ============== 3222.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3222.3 LDB: =============== DONE WITH MIGRATION ================ 3222.31 LDB: ============= START OF LOAD BALANCING ============== 3222.6 LDB: Largest compute 4855 load 0.027016 is 23.0% of average load 0.117630 LDB: Average compute 0.001740 is 1.5% of average load 0.117630 LDB: TIME 3222.6 LOAD: AVG 0.11763 MAX 0.177329 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.477 MB LDB: TIME 3222.6 LOAD: AVG 0.11763 MAX 0.177329 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.68 MB LDB: TIME 3222.6 LOAD: AVG 0.11763 MAX 0.177329 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.68 MB LDB: ============== END OF LOAD BALANCING =============== 3222.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3222.61 PRESSURE: 1108400 45.7669 -78.306 95.5602 -78.3065 -4.74395 25.6558 95.5604 25.6553 -16.7449 GPRESSURE: 1108400 54.8356 -107.489 69.0471 -55.191 34.0717 43.653 99.7701 34.0513 20.5564 PRESSAVG: 1108400 -8.30099 16.8065 -18.23 16.8066 -26.6402 25.8146 -18.23 25.8148 -9.49021 GPRESSAVG: 1108400 -7.73479 16.9201 -20.8213 17.0338 -26.0303 27.3014 -15.7404 23.813 -10.4821 TIMING: 1108400 CPU: 3219.43, 0.00297798/step Wall: 3219.43, 0.00297798/step, 3.21919 hours remaining, 202.804688 MB of memory in use. ENERGY: 1108400 699.5982 2060.9268 1973.4284 111.3803 -206403.7121 17852.0518 0.0000 0.0000 34222.0943 -149484.2324 298.8701 -183706.3267 -149383.4901 298.2516 8.0927 36.4879 556646.1372 -14.8105 -14.7491 PRESSURE: 1108600 -148.309 112.784 95.7976 112.784 -204.164 -23.6989 95.7969 -23.6987 -135 GPRESSURE: 1108600 -68.6096 59.4208 155.611 160.76 -196.63 21.5301 66.8197 -31.5559 -123.841 PRESSAVG: 1108600 -23.9718 4.00809 4.84341 4.00815 7.03663 -15.9256 4.84349 -15.9255 -27.5805 GPRESSAVG: 1108600 -25.3733 4.44864 6.14778 3.83794 7.34717 -17.7939 3.69928 -14.5213 -26.0398 TIMING: 1108600 CPU: 3220.01, 0.00291457/step Wall: 3220.01, 0.00291457/step, 3.15049 hours remaining, 203.007812 MB of memory in use. ENERGY: 1108600 751.2307 2045.3538 1966.7544 117.4955 -205998.5465 17473.5643 0.0000 0.0000 34365.1294 -149279.0184 300.1192 -183644.1478 -149178.7081 298.9676 -162.4910 -129.6934 557485.8216 -14.8385 -14.6886 PRESSURE: 1108800 -384.585 8.57319 62.0506 8.57451 -56.3382 70.9874 62.0501 70.987 -232.141 GPRESSURE: 1108800 -347.915 18.62 92.9264 -23.8286 -21.047 75.4617 -12.5719 87.7677 -205.611 PRESSAVG: 1108800 41.616 -7.69471 31.4695 -7.69477 -33.7491 -43.6859 31.4695 -43.6859 -28.4168 GPRESSAVG: 1108800 42.4261 -8.34913 29.7204 -7.03656 -34.4618 -45.1319 32.6851 -44.1149 -28.7616 TIMING: 1108800 CPU: 3220.59, 0.00288697/step Wall: 3220.59, 0.00288697/step, 3.1205 hours remaining, 203.007812 MB of memory in use. ENERGY: 1108800 763.1897 2124.1755 1959.0402 119.0877 -206164.9270 17595.7673 0.0000 0.0000 34391.9460 -149211.7207 300.3534 -183603.6667 -149109.1313 299.9034 -224.3549 -191.5245 555964.0897 -6.8500 -6.9324 PRESSURE: 1109000 200.065 -49.3305 -3.13737 -49.3293 139.253 26.1136 -3.13794 26.1129 87.9041 GPRESSURE: 1109000 226.071 -75.9157 2.04409 43.0402 133.854 112.25 21.3745 11.6698 167.753 PRESSAVG: 1109000 54.3849 27.7131 26.0673 27.7131 -26.5189 -4.9724 26.0672 -4.97246 -33.4861 GPRESSAVG: 1109000 53.5027 28.1159 26.4513 26.5737 -26.064 -4.25861 25.2865 -4.9249 -32.8446 TIMING: 1109000 CPU: 3221.17, 0.0028932/step Wall: 3221.17, 0.0028932/step, 3.12707 hours remaining, 203.210938 MB of memory in use. ENERGY: 1109000 757.9400 2121.7535 1948.9028 116.2225 -206286.0243 18083.4922 0.0000 0.0000 34397.6000 -148860.1133 300.4028 -183257.7133 -148771.2192 299.4708 142.4072 175.8926 556229.1491 -1.8734 -1.8020 PRESSURE: 1109200 -7.57517 -31.8918 71.2881 -31.8909 -57.2129 37.693 71.289 37.6923 65.4146 GPRESSURE: 1109200 34.5887 -138.519 66.5573 21.2888 -89.4397 74.2119 91.7719 -3.90203 164.104 PRESSAVG: 1109200 -17.6025 59.6814 -17.361 59.6814 9.02004 -39.7065 -17.3612 -39.7065 -1.54157 GPRESSAVG: 1109200 -16.9704 58.1446 -17.3292 60.8404 8.89543 -41.1151 -17.4363 -38.3475 -2.32338 TIMING: 1109200 CPU: 3221.75, 0.00289577/step Wall: 3221.75, 0.00289577/step, 3.12969 hours remaining, 203.449219 MB of memory in use. ENERGY: 1109200 754.4474 2076.4906 1955.8793 115.1676 -206082.0137 17852.4478 0.0000 0.0000 34300.2938 -149027.2870 299.5530 -183327.5809 -148932.9258 300.1258 0.2088 36.4177 556899.2661 -3.3747 -3.4661 PRESSURE: 1109400 -217.538 53.9709 161.471 53.9699 -77.9716 -15.0281 161.471 -15.0273 -182.688 GPRESSURE: 1109400 -149.062 63.5278 204.433 42.1449 -71.0306 6.47229 155.512 -46.5469 -166.605 PRESSAVG: 1109400 -0.659976 7.08994 38.7114 7.08985 9.42429 -0.759876 38.7116 -0.75977 -11.6129 GPRESSAVG: 1109400 0.5412 7.67267 40.7767 8.79488 8.29289 1.21142 38.0646 -2.10183 -11.8265 TIMING: 1109400 CPU: 3222.33, 0.00288702/step Wall: 3222.33, 0.00288702/step, 3.12007 hours remaining, 203.449219 MB of memory in use. ENERGY: 1109400 753.5906 2064.5006 1951.2601 117.9756 -205453.2050 17345.1067 0.0000 0.0000 34328.6445 -148892.1268 299.8006 -183220.7713 -148798.7127 299.4859 -159.3991 -128.8992 557143.5002 -0.9495 -0.9975 PRESSURE: 1109600 15.1435 143.365 67.9346 143.367 -336.622 19.5425 67.9341 19.5426 -326.595 GPRESSURE: 1109600 38.4228 241.472 4.2709 109.613 -270.697 -43.2919 29.6009 91.0776 -314.474 PRESSAVG: 1109600 8.3744 -27.4712 -0.401063 -27.471 63.2577 -12.7727 -0.40111 -12.7727 -29.2145 GPRESSAVG: 1109600 7.78435 -27.4885 -1.66312 -30.5335 63.6053 -12.6103 -0.868509 -12.0054 -29.3538 TIMING: 1109600 CPU: 3222.91, 0.00289841/step Wall: 3222.91, 0.00289841/step, 3.13221 hours remaining, 203.449219 MB of memory in use. ENERGY: 1109600 724.0775 2064.9898 1938.1045 127.4699 -205337.2633 17382.0665 0.0000 0.0000 34260.4620 -148840.0931 299.2051 -183100.5551 -148748.1153 300.2142 -216.0246 -182.2494 558342.0224 14.1392 14.0120 PRESSURE: 1109800 -208.441 -18.023 -39.669 -18.0227 -414.179 206.244 -39.6693 206.244 -168.476 GPRESSURE: 1109800 -176.551 59.9773 -50.1022 -56.7154 -345.989 191.79 -64.6064 183.693 -169.507 PRESSAVG: 1109800 4.00272 25.17 -49.2018 25.17 19.0616 79.1701 -49.2019 79.1701 -29.2481 GPRESSAVG: 1109800 3.9748 24.9084 -51.8147 28.5923 19.2758 77.206 -46.8362 78.9159 -29.6559 TIMING: 1109800 CPU: 3223.49, 0.00290017/step Wall: 3223.49, 0.00290017/step, 3.13396 hours remaining, 203.449219 MB of memory in use. ENERGY: 1109800 751.5026 2078.6382 1971.2101 110.0439 -205394.9439 17471.3900 0.0000 0.0000 34413.4844 -148598.6746 300.5415 -183012.1591 -148496.8117 300.3923 -263.6987 -230.6824 559895.6470 -2.0613 -2.1351 PRESSURE: 1110000 -241.569 107.464 -198.074 107.463 24.9096 64.1993 -198.073 64.201 -241.058 GPRESSURE: 1110000 -175.935 54.9436 -117.75 184.598 15.5042 78.7306 -180.274 47.7986 -213.039 PRESSAVG: 1110000 8.08354 -34.1675 2.16978 -34.1675 17.6312 29.5381 2.16993 29.5382 0.240837 GPRESSAVG: 1110000 7.37092 -33.1391 3.02406 -36.0715 17.6559 30.3503 1.94453 28.7056 1.00262 TIMING: 1110000 CPU: 3224.06, 0.00288998/step Wall: 3224.06, 0.00288998/step, 3.12278 hours remaining, 203.449219 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: 1110000 746.0378 2145.1868 1967.1516 128.9817 -205591.8054 17459.1238 0.0000 0.0000 34493.7689 -148651.5547 301.2427 -183145.3236 -148560.9639 301.1560 -152.5726 -124.4900 558539.2684 8.6519 8.6765 PRESSURE: 1110200 107.786 53.2975 10.5952 53.2972 43.7383 -117.503 10.5949 -117.503 121.335 GPRESSURE: 1110200 200.781 -11.8792 -56.3684 69.167 27.1094 -92.292 -15.1033 -117.992 139.184 PRESSAVG: 1110200 -4.95006 18.6903 -52.8989 18.6903 45.908 -60.8893 -52.8989 -60.8893 -40.0786 GPRESSAVG: 1110200 -4.2706 19.4003 -51.514 17.7954 45.725 -62.281 -53.2451 -60.5332 -40.54 TIMING: 1110200 CPU: 3224.64, 0.00288751/step Wall: 3224.64, 0.00288751/step, 3.11995 hours remaining, 203.449219 MB of memory in use. ENERGY: 1110200 728.6151 2075.8645 1956.1263 104.9594 -206031.0796 17963.4318 0.0000 0.0000 34466.3057 -148735.7768 301.0028 -183202.0825 -148631.8179 301.0709 90.9530 122.3584 559052.5150 0.2931 0.3048 PRESSURE: 1110400 -140.812 98.1609 51.9916 98.1625 -23.4276 49.9862 51.9908 49.9865 219.557 GPRESSURE: 1110400 -78.7017 -10.9582 87.1423 172.163 43.5757 75.298 60.1889 108.403 185.847 PRESSAVG: 1110400 22.9113 13.8749 -46.8037 13.875 -55.4325 -46.4614 -46.8037 -46.4613 37.1413 GPRESSAVG: 1110400 22.4806 13.6505 -48.1837 12.8829 -54.4648 -44.3062 -45.8612 -46.9304 36.8353 TIMING: 1110400 CPU: 3225.22, 0.00291239/step Wall: 3225.22, 0.00291239/step, 3.14667 hours remaining, 203.449219 MB of memory in use. ENERGY: 1110400 743.2824 2035.7126 1955.9803 112.2443 -206022.4070 17880.9177 0.0000 0.0000 34322.3580 -148971.9117 299.7457 -183294.2697 -148878.0669 300.7329 18.4392 50.2404 559141.8450 1.5400 1.6170 PRESSURE: 1110600 -156.037 62.7758 12.7841 62.7747 50.668 7.95577 12.7836 7.95692 -208.491 GPRESSURE: 1110600 -193.725 108.869 8.24073 19.4899 47.4307 -31.6168 25.9154 7.84003 -68.7389 PRESSAVG: 1110600 -8.09294 36.0693 25.5424 36.0692 -8.61952 -58.3056 25.5424 -58.3056 12.6549 GPRESSAVG: 1110600 -7.27751 37.7836 26.4849 37.4436 -10.1282 -59.9721 22.916 -57.1181 13.1555 TIMING: 1110600 CPU: 3225.8, 0.0028878/step Wall: 3225.8, 0.0028878/step, 3.11995 hours remaining, 203.449219 MB of memory in use. ENERGY: 1110600 770.4043 2031.1443 1963.7102 117.1457 -206094.1762 17722.7836 0.0000 0.0000 34380.8656 -149108.1226 300.2567 -183488.9882 -149007.7261 299.7977 -104.6200 -71.6779 559378.1517 -1.3525 -1.4167 PRESSURE: 1110800 -167.157 96.3795 264.526 96.3801 -54.4378 -112.743 264.526 -112.744 -386.013 GPRESSURE: 1110800 -141.252 64.2487 216.382 125.357 6.35192 -145.19 283.54 -151.67 -360.858 PRESSAVG: 1110800 -12.3802 -16.2342 -6.5752 -16.2343 37.9614 -24.06 -6.57536 -24.0599 -38.327 GPRESSAVG: 1110800 -13.1187 -18.9815 -6.57194 -14.9064 40.0265 -25.6089 -5.60254 -23.7744 -39.0027 TIMING: 1110800 CPU: 3226.38, 0.00290963/step Wall: 3226.38, 0.00290963/step, 3.14337 hours remaining, 203.449219 MB of memory in use. ENERGY: 1110800 725.2616 2073.3909 1977.2754 118.7933 -205767.5906 17442.8771 0.0000 0.0000 34170.7069 -149259.2854 298.4213 -183429.9923 -149161.5303 299.3759 -202.5359 -165.2526 558231.2050 -4.2486 -4.0316 PRESSURE: 1111000 266.106 -17.8541 94.3892 -17.8538 95.4607 -79.6424 94.3897 -79.6425 68.8681 GPRESSURE: 1111000 315.568 -96.6241 26.8825 6.05632 139.709 -39.9761 83.9438 -115.023 74.1349 PRESSAVG: 1111000 1.06473 -30.4074 -31.621 -30.4074 -0.459755 -42.1045 -31.621 -42.1047 28.6869 GPRESSAVG: 1111000 0.122498 -29.355 -33.0125 -32.2122 -0.403511 -40.0666 -30.5612 -41.8376 29.0116 TIMING: 1111000 CPU: 3226.96, 0.00289011/step Wall: 3226.96, 0.00289011/step, 3.12212 hours remaining, 203.449219 MB of memory in use. ENERGY: 1111000 751.7345 2081.5108 1959.6990 118.2414 -206572.2926 18013.9847 0.0000 0.0000 34441.4508 -149205.6713 300.7858 -183647.1221 -149109.6197 299.6703 143.4783 176.4706 556017.0132 9.7640 9.5769 PRESSURE: 1111200 -31.9651 8.36512 -17.165 8.36433 53.8731 -121.571 -17.1663 -121.571 92.8884 GPRESSURE: 1111200 -30.134 28.6804 -75.0484 -17.0212 112.824 -118.821 34.0933 -85.8478 130.847 PRESSAVG: 1111200 -27.256 37.0236 -11.5811 37.0235 83.3211 36.7509 -11.5811 36.751 -51.2868 GPRESSAVG: 1111200 -27.3735 35.9171 -9.92674 38.479 83.6026 36.492 -14.8425 36.4496 -51.6447 TIMING: 1111200 CPU: 3227.55, 0.00292653/step Wall: 3227.55, 0.00292653/step, 3.1613 hours remaining, 203.449219 MB of memory in use. ENERGY: 1111200 763.0733 2133.2955 1973.4320 129.2291 -206087.5115 17912.8714 0.0000 0.0000 33889.9886 -149285.6216 295.9697 -183175.6102 -149198.6631 299.0600 38.2655 71.1788 558029.1014 1.5928 1.5281 PRESSURE: 1111400 15.9313 -33.3953 2.85504 -33.3931 -67.0009 -45.1748 2.85537 -45.1753 -81.5284 GPRESSURE: 1111400 72.0101 -12.2433 83.9083 -49.8388 -46.336 -26.8618 94.1241 -48.3058 -65.0846 PRESSAVG: 1111400 66.7306 28.5386 -4.03684 28.5385 -28.6323 -14.6916 -4.03681 -14.6915 -45.3726 GPRESSAVG: 1111400 67.7975 29.0265 -3.49726 26.5184 -29.5955 -13.7567 -1.65713 -14.3649 -45.2281 TIMING: 1111400 CPU: 3228.13, 0.0029095/step Wall: 3228.13, 0.0029095/step, 3.14275 hours remaining, 203.449219 MB of memory in use. ENERGY: 1111400 720.9535 2087.5954 1966.3986 120.2595 -205828.3186 17567.8470 0.0000 0.0000 34156.0465 -149209.2182 298.2932 -183365.2647 -149108.0281 299.5593 -44.1993 -13.1368 556933.5931 -2.4248 -2.3421 PRESSURE: 1111600 67.077 -78.8573 -102.87 -78.8565 127.179 -122.882 -102.868 -122.883 -102.676 GPRESSURE: 1111600 101.537 -111.155 -6.32925 -38.974 153.447 -167.293 -164.37 -37.2587 -64.7122 PRESSAVG: 1111600 -33.3847 1.72626 -18.3508 1.72615 20.0296 -42.0895 -18.3508 -42.0895 -5.06356 GPRESSAVG: 1111600 -33.9932 3.91049 -19.8269 1.20761 19.9486 -41.6913 -18.8499 -44.3966 -4.4454 TIMING: 1111600 CPU: 3228.71, 0.00289858/step Wall: 3228.71, 0.00289858/step, 3.13078 hours remaining, 203.449219 MB of memory in use. ENERGY: 1111600 731.4916 2066.6540 1937.6439 117.5308 -206219.8907 17951.5518 0.0000 0.0000 34067.0998 -149347.9189 297.5165 -183415.0186 -149252.4373 298.4362 30.5268 63.4239 557252.4133 -6.1395 -6.1633 PRESSURE: 1111800 190.276 -114.543 -136.105 -114.543 66.4142 -65.6366 -136.104 -65.6371 -103.754 GPRESSURE: 1111800 241.319 -120.384 -227.088 -184.833 113.458 -80.9601 -28.7795 -52.6218 -108.876 PRESSAVG: 1111800 -41.7119 1.98409 -26.2445 1.98405 55.4982 4.7035 -26.2444 4.70364 7.17223 GPRESSAVG: 1111800 -40.9811 1.13532 -24.9607 2.97856 55.5409 5.21966 -26.2989 3.47173 6.44619 TIMING: 1111800 CPU: 3229.29, 0.00290656/step Wall: 3229.29, 0.00290656/step, 3.13925 hours remaining, 203.449219 MB of memory in use. ENERGY: 1111800 719.7921 2065.4644 1954.5246 111.9134 -206138.7623 17803.0301 0.0000 0.0000 34124.5523 -149359.4855 298.0182 -183484.0378 -149265.3790 298.5252 50.9786 81.9674 556743.8453 6.9862 7.0020 PRESSURE: 1112000 -10.9166 102.635 -8.43204 102.634 78.8388 -3.61098 -8.43264 -3.60984 -2.70284 GPRESSURE: 1112000 59.1983 165.604 28.7662 20.9006 85.5953 21.327 -16.4378 -28.6157 29.6719 PRESSAVG: 1112000 -24.4178 35.6132 -17.2168 35.6133 -0.307701 3.78682 -17.2167 3.78675 8.45861 GPRESSAVG: 1112000 -22.9124 33.2882 -17.1318 34.0364 0.129887 0.211686 -16.4702 6.54215 7.20488 TIMING: 1112000 CPU: 3229.87, 0.00292092/step Wall: 3229.87, 0.00292092/step, 3.15459 hours remaining, 203.449219 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: 1112000 758.3378 2088.3314 1955.3007 118.9866 -206295.4344 17870.8063 0.0000 0.0000 33986.2528 -149517.4188 296.8104 -183503.6716 -149426.4201 298.5380 21.7398 58.1552 557984.4337 -5.4223 -5.1925 PRESSURE: 1112200 -90.2231 36.687 100.917 36.6875 -60.7167 -34.1581 100.915 -34.1568 -318.889 GPRESSURE: 1112200 -37.3281 -94.7886 5.00967 30.0538 -26.6857 -47.2827 119.692 -76.3772 -301.938 PRESSAVG: 1112200 47.4065 -1.4403 13.2513 -1.44028 19.8566 19.0076 13.2513 19.0077 -76.2712 GPRESSAVG: 1112200 46.5681 -0.44873 10.3127 1.222 19.6185 19.9369 15.3793 17.8105 -74.8489 TIMING: 1112200 CPU: 3230.46, 0.0029043/step Wall: 3230.46, 0.0029043/step, 3.13648 hours remaining, 203.449219 MB of memory in use. ENERGY: 1112200 781.7608 2062.8146 1963.2611 100.0985 -206344.8064 17684.0674 0.0000 0.0000 34241.8960 -149510.9079 299.0430 -183752.8039 -149420.2994 297.7285 -156.6094 -121.9840 556419.6170 -3.0027 -2.8875 LDB: ============= START OF LOAD BALANCING ============== 3233.92 LDB: ============== END OF LOAD BALANCING =============== 3233.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3233.92 LDB: ============= START OF LOAD BALANCING ============== 3234.22 LDB: Largest compute 4820 load 0.027028 is 23.0% of average load 0.117676 LDB: Average compute 0.001749 is 1.5% of average load 0.117676 LDB: TIME 3234.22 LOAD: AVG 0.117676 MAX 0.176249 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.062 MB LDB: TIME 3234.22 LOAD: AVG 0.117676 MAX 0.176249 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: TIME 3234.22 LOAD: AVG 0.117676 MAX 0.176249 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: ============== END OF LOAD BALANCING =============== 3234.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3234.22 PRESSURE: 1112400 108.547 -48.7751 16.569 -48.775 -41.5513 101.464 16.5685 101.464 -3.79004 GPRESSURE: 1112400 75.3232 57.2778 28.4371 -148.495 33.1128 87.7543 89.8831 146.683 51.7196 PRESSAVG: 1112400 -30.3036 11.8829 38.4637 11.8828 73.6251 24.2933 38.4637 24.2934 -51.6975 GPRESSAVG: 1112400 -30.9345 13.5648 40.2618 10.2491 74.4141 24.1808 36.8598 25.8945 -51.8713 TIMING: 1112400 CPU: 3231.05, 0.00296968/step Wall: 3231.05, 0.00296968/step, 3.20693 hours remaining, 204.238281 MB of memory in use. ENERGY: 1112400 702.6201 2076.3671 1965.6223 116.7291 -206346.1411 17817.7476 0.0000 0.0000 34115.6854 -149551.3694 297.9408 -183667.0549 -149453.9117 298.4188 21.0685 53.3852 556722.1305 -2.7920 -2.7973 PRESSURE: 1112600 7.33679 -165.771 -176.308 -165.771 151.315 315.77 -176.309 315.772 206.385 GPRESSURE: 1112600 65.4103 -73.8945 -176.022 -179.138 211.922 240.03 -197.254 294.559 175.402 PRESSAVG: 1112600 58.7551 -73.53 29.9185 -73.5301 10.6626 45.8736 29.9184 45.8737 -51.0136 GPRESSAVG: 1112600 59.2786 -73.7451 29.7598 -71.3016 10.3534 47.3914 31.5279 44.5122 -52.3296 TIMING: 1112600 CPU: 3231.63, 0.0029196/step Wall: 3231.63, 0.0029196/step, 3.15269 hours remaining, 204.238281 MB of memory in use. ENERGY: 1112600 736.2584 2076.3984 1959.7675 109.9592 -206797.3603 18078.4068 0.0000 0.0000 34268.2119 -149568.3581 299.2728 -183836.5700 -149470.9035 297.6863 121.6790 150.9115 556261.8060 6.1347 5.7675 PRESSURE: 1112800 -233.814 2.78312 27.7452 2.78201 -87.4793 -80.1715 27.7444 -80.1715 74.6315 GPRESSURE: 1112800 -221.677 102.831 -54.5449 22.5921 -71.6752 -40.1109 112.896 -32.7289 136.395 PRESSAVG: 1112800 4.78211 -18.7631 -43.7798 -18.7631 14.4502 13.4507 -43.7797 13.4507 -17.1661 GPRESSAVG: 1112800 5.03455 -18.9594 -43.2296 -19.4215 12.918 11.771 -45.7486 14.5997 -15.9048 TIMING: 1112800 CPU: 3232.21, 0.00289163/step Wall: 3232.21, 0.00289163/step, 3.12231 hours remaining, 204.347656 MB of memory in use. ENERGY: 1112800 779.9652 2074.5939 1969.8494 113.8774 -206288.8803 17697.6677 0.0000 0.0000 34252.2375 -149400.6893 299.1333 -183652.9267 -149303.4114 298.6124 -82.2206 -52.3190 557237.8812 0.6887 0.6826 PRESSURE: 1113000 -18.5298 -104.49 -20.9394 -104.491 -117.166 43.7716 -20.9386 43.7708 206.196 GPRESSURE: 1113000 -11.1572 -92.4378 0.292911 -39.5513 -11.1722 -42.5738 -57.4453 165.996 196.465 PRESSAVG: 1113000 -90.2868 -80.6593 4.47222 -80.6594 46.809 -2.33645 4.47218 -2.33644 12.8709 GPRESSAVG: 1113000 -91.8369 -83.006 3.46333 -79.0124 48.1233 -0.961186 5.53213 -2.98777 12.8442 TIMING: 1113000 CPU: 3232.79, 0.00288289/step Wall: 3232.79, 0.00288289/step, 3.11272 hours remaining, 204.347656 MB of memory in use. ENERGY: 1113000 747.3872 2068.1003 1959.8794 129.3063 -206440.1300 17906.0829 0.0000 0.0000 34116.6148 -149512.7591 297.9489 -183629.3740 -149416.4289 298.3699 23.5000 58.0451 555958.7591 -10.2023 -10.2898 PRESSURE: 1113200 -15.683 -34.7172 52.1403 -34.7169 -89.6594 -24.1986 52.1407 -24.1985 150.176 GPRESSURE: 1113200 -25.0688 -101.83 92.1945 -9.1616 -57.2768 -34.0172 72.4202 59.9073 221.002 PRESSAVG: 1113200 6.82151 35.8104 31.6563 35.8104 1.13587 -37.8032 31.6563 -37.8034 3.1064 GPRESSAVG: 1113200 7.22431 37.6929 33.3185 35.8473 0.65742 -38.763 30.9357 -37.6843 3.95191 TIMING: 1113200 CPU: 3233.37, 0.00291881/step Wall: 3233.37, 0.00291881/step, 3.15134 hours remaining, 204.347656 MB of memory in use. ENERGY: 1113200 747.0403 2073.1094 1959.0748 116.4400 -206417.5786 17960.1509 0.0000 0.0000 34054.3111 -149507.4520 297.4048 -183561.7631 -149411.6929 298.1358 14.9447 46.2189 558519.7934 3.6879 3.9445 PRESSURE: 1113400 -275.384 -26.6219 -87.8066 -26.6228 -38.1282 -152.042 -87.806 -152.043 -28.2025 GPRESSURE: 1113400 -274.501 -67.1016 -74.8621 -88.4733 -33.6957 -96.7574 -42.9622 -109.098 59.6146 PRESSAVG: 1113400 -55.7473 -42.0808 8.2649 -42.0808 -37.0431 17.3261 8.26487 17.326 42.9147 GPRESSAVG: 1113400 -54.9563 -41.5402 7.97088 -45.2914 -38.0074 17.6093 6.31771 17.104 43.2128 TIMING: 1113400 CPU: 3233.96, 0.00292506/step Wall: 3233.96, 0.00292506/step, 3.15793 hours remaining, 204.347656 MB of memory in use. ENERGY: 1113400 747.2735 2134.3188 1971.5251 119.7212 -206197.7586 17692.5456 0.0000 0.0000 34275.7797 -149256.5947 299.3389 -183532.3744 -149168.5843 298.7314 -113.9049 -82.8608 558540.5047 -16.6252 -16.5836 PRESSURE: 1113600 -49.2172 -103.1 -113.901 -103.1 -197.826 -58.894 -113.901 -58.8952 -166.416 GPRESSURE: 1113600 -56.9145 -148.23 -135.295 -137.559 -91.2701 -25.4086 -44.1425 -96.2882 -168.236 PRESSAVG: 1113600 23.4293 4.45283 12.0512 4.45289 26.0047 -60.4856 12.0511 -60.4856 -12.9079 GPRESSAVG: 1113600 23.1168 4.01819 11.5208 5.94499 27.6476 -58.7955 13.7173 -58.1737 -14.3311 TIMING: 1113600 CPU: 3234.54, 0.00290105/step Wall: 3234.54, 0.00290105/step, 3.13184 hours remaining, 204.347656 MB of memory in use. ENERGY: 1113600 765.6896 2093.3611 1958.4951 119.6750 -206235.7021 17695.3384 0.0000 0.0000 34349.5573 -149253.5855 299.9832 -183603.1428 -149154.7931 299.6889 -137.8197 -105.4735 556439.9501 12.1753 12.1445 PRESSURE: 1113800 27.4302 -165.423 72.5722 -165.425 -3.85307 -76.4484 72.5736 -76.449 82.0063 GPRESSURE: 1113800 22.4758 -154.83 -4.20506 -92.122 20.7626 -38.0498 81.784 -84.3187 142.305 PRESSAVG: 1113800 66.5137 -28.2427 -5.17637 -28.2427 13.6364 21.986 -5.17639 21.986 -53.5121 GPRESSAVG: 1113800 65.8731 -29.6989 -5.50991 -28.3453 13.2607 19.9432 -4.17272 21.1849 -52.6855 TIMING: 1113800 CPU: 3235.12, 0.00292249/step Wall: 3235.12, 0.00292249/step, 3.15483 hours remaining, 204.417969 MB of memory in use. ENERGY: 1113800 736.1929 2073.7096 1944.2299 108.4134 -206190.6957 17768.5792 0.0000 0.0000 34331.7315 -149227.8392 299.8275 -183559.5707 -149128.4122 299.8153 35.1945 61.8478 556493.2502 8.8793 8.8161 PRESSURE: 1114000 -171.172 64.1271 -49.1386 64.1275 -252.579 99.945 -49.1379 99.9462 -34.0869 GPRESSURE: 1114000 -121.684 22.3299 -169.356 46.4285 -209.342 145.856 15.9653 102.296 -10.9993 PRESSAVG: 1114000 -14.4602 23.9911 -46.2602 23.991 17.1275 -41.1652 -46.2602 -41.1651 -19.0638 GPRESSAVG: 1114000 -14.9958 25.8044 -48.0166 23.467 17.8041 -41.1223 -44.7991 -39.6421 -19.3376 TIMING: 1114000 CPU: 3235.7, 0.00290634/step Wall: 3235.7, 0.00290634/step, 3.13723 hours remaining, 204.417969 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: 1114000 747.6435 2084.5947 1994.3845 112.9962 -205838.8171 17595.0749 0.0000 0.0000 34129.7337 -149174.3897 298.0635 -183304.1233 -149075.2197 299.1928 -152.6126 -114.0084 557560.4002 -5.4655 -5.5098 PRESSURE: 1114200 102.957 17.6365 -145.275 17.6366 135.055 -13.8189 -145.276 -13.8191 -124.296 GPRESSURE: 1114200 147.818 -3.80379 -185.764 -7.59606 113.925 -23.0522 -23.8896 -23.7704 -61.435 PRESSAVG: 1114200 70.7711 -41.5392 10.8425 -41.5392 27.5956 -7.06554 10.8424 -7.06558 -71.1353 GPRESSAVG: 1114200 70.7834 -41.7206 13.2188 -40.517 26.9192 -5.58023 8.74396 -10.5679 -70.5229 TIMING: 1114200 CPU: 3236.29, 0.00292532/step Wall: 3236.29, 0.00292532/step, 3.15755 hours remaining, 204.417969 MB of memory in use. ENERGY: 1114200 745.8361 2117.0956 1945.0983 104.8334 -206333.9681 17895.0481 0.0000 0.0000 34403.0330 -149123.0237 300.4502 -183526.0567 -149020.1763 299.6484 37.9056 66.7694 556503.2763 9.0771 9.0599 PRESSURE: 1114400 53.2082 -83.7785 94.7054 -83.778 -37.0322 83.6207 94.7033 83.6209 -21.1894 GPRESSURE: 1114400 90.6484 -104.05 123.663 -125.494 34.4211 137.753 68.5941 71.3524 -29.1332 PRESSAVG: 1114400 53.2919 23.2415 -36.1359 23.2415 -4.9926 -1.56628 -36.1359 -1.56626 -4.78645 GPRESSAVG: 1114400 53.8701 23.6331 -36.2666 21.1793 -5.15975 -3.34838 -36.1274 1.50232 -5.21285 TIMING: 1114400 CPU: 3236.87, 0.00289572/step Wall: 3236.87, 0.00289572/step, 3.12545 hours remaining, 204.417969 MB of memory in use. ENERGY: 1114400 759.8127 2054.8463 1989.1689 122.1214 -206324.0386 17887.0716 0.0000 0.0000 34291.4241 -149219.5937 299.4755 -183511.0177 -149128.8156 299.3846 -1.6711 31.9787 558346.9248 14.5043 14.4992 PRESSURE: 1114600 -222.886 61.2395 -58.5733 61.2389 -165.92 101.396 -58.5732 101.397 -423.413 GPRESSURE: 1114600 -187.472 0.185727 -27.7734 31.4822 -162.669 65.5272 -29.8633 126.043 -355.557 PRESSAVG: 1114600 110.539 18.0252 -27.3212 18.0252 -56.8901 78.7316 -27.3211 78.7317 -59.4322 GPRESSAVG: 1114600 110.66 18.5052 -28.2502 20.4843 -57.2317 78.8727 -26.6508 77.892 -58.8875 TIMING: 1114600 CPU: 3237.45, 0.00291137/step Wall: 3237.45, 0.00291137/step, 3.14218 hours remaining, 204.417969 MB of memory in use. ENERGY: 1114600 785.1515 2132.1287 1954.5293 114.4112 -206037.9835 17644.6733 0.0000 0.0000 34144.8220 -149262.2675 298.1952 -183407.0895 -149170.9949 299.5147 -270.7399 -235.2327 558929.6715 -1.9278 -1.8196 PRESSURE: 1114800 -78.1741 -29.6884 94.4429 -29.6884 -18.5351 -200.741 94.4427 -200.741 118.039 GPRESSURE: 1114800 8.23504 -18.3764 13.5586 -110.296 -29.4051 -221.838 63.475 -126.117 133.231 PRESSAVG: 1114800 11.6509 -0.539494 14.0284 -0.539546 -60.4193 -23.291 14.0284 -23.291 32.9892 GPRESSAVG: 1114800 11.7431 -0.398198 14.2519 0.419538 -60.0944 -23.7316 14.9329 -23.0392 32.1358 TIMING: 1114800 CPU: 3238.03, 0.00288786/step Wall: 3238.03, 0.00288786/step, 3.11664 hours remaining, 204.417969 MB of memory in use. ENERGY: 1114800 730.8082 2090.7649 1940.4081 122.8370 -205992.2385 17711.0446 0.0000 0.0000 34277.3160 -149119.0597 299.3523 -183396.3757 -149018.3737 299.4630 7.1101 37.3538 556615.9799 -5.2598 -5.4052 PRESSURE: 1115000 -60.9148 -64.2536 77.2424 -64.2524 -55.7074 -83.3377 77.2432 -83.338 14.0836 GPRESSURE: 1115000 -55.3174 -68.5404 58.5695 -3.54961 1.30722 -137.016 90.1205 -48.3903 38.8528 PRESSAVG: 1115000 -0.941691 -2.87107 43.1449 -2.8711 2.01323 -30.9364 43.1448 -30.9364 39.6174 GPRESSAVG: 1115000 -0.911119 -5.98408 44.0544 -3.16175 2.77265 -30.6864 39.8833 -31.1192 38.5516 TIMING: 1115000 CPU: 3238.6, 0.00287248/step Wall: 3238.6, 0.00287248/step, 3.09989 hours remaining, 204.417969 MB of memory in use. ENERGY: 1115000 751.8794 2037.0842 1965.6988 108.5252 -205887.7083 17772.7001 0.0000 0.0000 34200.1935 -149051.6271 298.6788 -183251.8205 -148958.9090 299.3976 -34.1795 -5.0525 557470.7740 13.5630 13.4710 PRESSURE: 1115200 73.832 -70.5372 -61.219 -70.5359 311.838 41.875 -61.2179 41.8749 -14.6061 GPRESSURE: 1115200 121.844 -96.7671 -77.9322 -12.3696 291.468 -10.3944 1.09411 54.1152 46.7296 PRESSAVG: 1115200 -91.0944 13.2862 5.74219 13.2863 38.8351 -19.0657 5.74222 -19.0657 63.4428 GPRESSAVG: 1115200 -90.6397 14.916 4.67518 12.0071 37.2204 -17.294 8.41866 -20.1914 65.0235 TIMING: 1115200 CPU: 3239.18, 0.00289062/step Wall: 3239.18, 0.00289062/step, 3.1193 hours remaining, 204.417969 MB of memory in use. ENERGY: 1115200 731.5901 2122.5423 1965.8689 103.0663 -206152.4019 17914.9292 0.0000 0.0000 34229.9154 -149084.4898 298.9384 -183314.4052 -148994.1956 299.4780 123.6879 153.3470 554966.8100 3.7278 3.8681 PRESSURE: 1115400 163.482 -66.0313 95.1672 -66.0322 -36.4295 77.589 95.1672 77.5894 -186.764 GPRESSURE: 1115400 187.303 -28.6014 29.5909 -146.767 -8.10921 68.8075 112.959 69.5051 -125.18 PRESSAVG: 1115400 -50.4846 4.2181 30.6867 4.21808 70.7814 30.9958 30.6868 30.9957 29.5029 GPRESSAVG: 1115400 -50.3117 6.28141 29.711 3.06691 71.1942 30.7674 32.2765 32.4989 28.9374 TIMING: 1115400 CPU: 3239.76, 0.00290475/step Wall: 3239.76, 0.00290475/step, 3.13439 hours remaining, 204.417969 MB of memory in use. ENERGY: 1115400 753.8778 2029.7390 1990.2473 138.1289 -205834.2784 17734.9635 0.0000 0.0000 34152.3025 -149035.0195 298.2606 -183187.3219 -148926.8428 299.8487 -19.9039 18.0048 557852.5421 16.5999 16.6066 PRESSURE: 1115600 85.0572 46.8349 -154.281 46.8362 98.3153 -24.9852 -154.281 -24.986 -123.276 GPRESSURE: 1115600 170.422 -26.7639 -186.68 61.7761 151.711 -88.1746 -95.2695 62.3575 -171.827 PRESSAVG: 1115600 -45.1134 -48.0972 -17.1142 -48.0971 74.6671 -16.5436 -17.1141 -16.5433 -12.9821 GPRESSAVG: 1115600 -45.5166 -47.8779 -14.5156 -46.8339 76.6081 -17.5004 -19.6132 -17.4061 -14.6318 TIMING: 1115600 CPU: 3240.34, 0.00289317/step Wall: 3240.34, 0.00289317/step, 3.12173 hours remaining, 204.417969 MB of memory in use. ENERGY: 1115600 744.4726 2103.0000 1963.9357 115.1059 -206078.9700 17625.3419 0.0000 0.0000 34321.5127 -149205.6012 299.7383 -183527.1139 -149109.6843 299.5588 20.0322 50.1021 555267.8564 5.5239 5.4865 PRESSURE: 1115800 99.856 0.108804 -114.381 0.109623 333.619 -184.212 -114.379 -184.21 298.051 GPRESSURE: 1115800 123.979 -26.9216 -93.8151 -70.6796 377.012 -160.629 -127.777 -127.852 324.836 PRESSAVG: 1115800 3.23326 13.8739 -33.5655 13.874 -16.0507 -22.341 -33.5655 -22.341 25.9004 GPRESSAVG: 1115800 3.02487 11.7332 -34.1387 14.7421 -17.1605 -22.7368 -34.6555 -21.7051 27.6713 TIMING: 1115800 CPU: 3240.92, 0.0028998/step Wall: 3240.92, 0.0028998/step, 3.12872 hours remaining, 204.417969 MB of memory in use. ENERGY: 1115800 770.0319 2115.6833 1921.2305 104.6683 -206398.7426 18108.3485 0.0000 0.0000 34216.8900 -149161.8900 298.8246 -183378.7800 -149069.6389 299.0633 243.8421 275.2756 555780.7303 4.3610 4.5119 PRESSURE: 1116000 387.865 -74.0103 -61.1551 -74.0123 -8.33146 -121.317 -61.1559 -121.317 -51.2 GPRESSURE: 1116000 400.447 -18.5999 -32.0119 -79.2141 34.4451 -72.5754 -78.9114 -59.5655 -17.9496 PRESSAVG: 1116000 77.3894 6.72799 -35.4194 6.72796 -25.8001 28.9283 -35.4194 28.9284 -49.4533 GPRESSAVG: 1116000 77.459 7.47344 -36.3143 6.2968 -26.6615 29.5188 -32.9088 27.9703 -48.3786 TIMING: 1116000 CPU: 3241.5, 0.00290491/step Wall: 3241.5, 0.00290491/step, 3.13408 hours remaining, 204.417969 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: 1116000 741.6950 2094.9612 1969.9934 115.8469 -206164.5921 17831.0151 0.0000 0.0000 34211.0487 -149200.0319 298.7736 -183411.0806 -149104.6891 299.0417 109.4446 138.9809 555701.4758 0.7120 0.8063 PRESSURE: 1116200 -72.2588 -5.42786 98.3956 -5.4279 -298.531 -22.1137 98.3971 -22.1132 48.6319 GPRESSURE: 1116200 -87.5838 -11.4068 43.7997 50.5143 -180.346 -8.6041 121.258 -22.0505 50.852 PRESSAVG: 1116200 8.58932 -34.1621 10.1869 -34.1621 -5.04428 -35.0547 10.1869 -35.0548 -12.5992 GPRESSAVG: 1116200 8.61544 -35.6423 10.5499 -34.5846 -3.25067 -35.2623 9.64512 -36.8372 -14.5739 TIMING: 1116200 CPU: 3242.08, 0.00291334/step Wall: 3242.08, 0.00291334/step, 3.143 hours remaining, 204.417969 MB of memory in use. ENERGY: 1116200 770.8645 2087.3590 1974.0384 121.7680 -206256.1664 17719.9054 0.0000 0.0000 34496.1569 -149086.0742 301.2635 -183582.2312 -148988.1786 298.7363 -107.3861 -72.3593 557703.5216 -3.0181 -3.0697 LDB: ============= START OF LOAD BALANCING ============== 3245.55 LDB: ============== END OF LOAD BALANCING =============== 3245.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3245.55 LDB: ============= START OF LOAD BALANCING ============== 3245.84 LDB: Largest compute 4820 load 0.028029 is 23.8% of average load 0.117604 LDB: Average compute 0.001740 is 1.5% of average load 0.117604 LDB: TIME 3245.85 LOAD: AVG 0.117604 MAX 0.179153 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.289 MB LDB: TIME 3245.85 LOAD: AVG 0.117604 MAX 0.179153 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: TIME 3245.85 LOAD: AVG 0.117604 MAX 0.179153 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.523 MB LDB: ============== END OF LOAD BALANCING =============== 3245.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3245.85 PRESSURE: 1116400 -278.328 41.2329 192.02 41.2332 -168.974 -8.42218 192.021 -8.42044 -248.344 GPRESSURE: 1116400 -293.724 -83.8808 149.86 103.461 -152.797 48.1026 211.276 -8.27881 -170.124 PRESSAVG: 1116400 32.4891 -18.3319 26.2426 -18.3319 -17.9075 -1.24729 26.2427 -1.24725 -49.5447 GPRESSAVG: 1116400 31.7873 -18.2798 25.9662 -18.3445 -19.1197 -2.20657 26.9539 -1.27632 -47.846 TIMING: 1116400 CPU: 3242.68, 0.00297032/step Wall: 3242.68, 0.00297032/step, 3.20432 hours remaining, 204.289062 MB of memory in use. ENERGY: 1116400 782.1843 2090.6614 1985.6830 123.8288 -206191.8126 17552.2381 0.0000 0.0000 34298.2291 -149358.9881 299.5350 -183657.2172 -149258.9564 299.3928 -231.8819 -205.5483 557423.7236 -11.6544 -11.7261 PRESSURE: 1116600 75.0556 199.724 75.6726 199.724 -199.053 -32.852 75.673 -32.8523 -310.916 GPRESSURE: 1116600 86.9905 215.345 39.0196 159.479 -147.719 30.1049 29.6792 -89.9944 -278.825 PRESSAVG: 1116600 19.1105 41.639 28.662 41.639 1.44474 -6.41785 28.6621 -6.41791 -9.11416 GPRESSAVG: 1116600 19.4586 41.6083 28.0679 41.7566 1.65381 -5.51933 27.3763 -6.3606 -10.3323 TIMING: 1116600 CPU: 3243.26, 0.00291088/step Wall: 3243.26, 0.00291088/step, 3.14004 hours remaining, 204.492188 MB of memory in use. ENERGY: 1116600 762.5170 2027.6060 1967.9367 115.7543 -206289.6701 17754.2450 0.0000 0.0000 34134.3690 -149527.2421 298.1039 -183661.6111 -149443.8768 298.6371 -144.9709 -113.1843 556794.0498 3.8137 3.5933 PRESSURE: 1116800 -75.9255 -130.478 15.9856 -130.478 105.52 -371.135 15.9857 -371.135 -191.681 GPRESSURE: 1116800 -42.4532 -105.567 13.7335 -154.893 119.849 -289.325 111.356 -362.993 -134.922 PRESSAVG: 1116800 9.31305 -13.4392 29.7606 -13.4391 102.11 -7.22921 29.7605 -7.22932 -41.8943 GPRESSAVG: 1116800 9.38914 -13.607 27.5733 -14.868 101.115 -6.92246 30.7218 -6.40787 -41.3986 TIMING: 1116800 CPU: 3243.84, 0.0029019/step Wall: 3243.84, 0.0029019/step, 3.13019 hours remaining, 204.492188 MB of memory in use. ENERGY: 1116800 698.0042 2101.5313 1972.0667 118.6797 -206218.4301 17815.2604 0.0000 0.0000 33974.3680 -149538.5199 296.7066 -183512.8878 -149448.8331 298.4902 -54.0289 -19.1755 556479.3275 23.1763 23.0351 PRESSURE: 1117000 -145.876 137.175 186.656 137.174 102.813 183.453 186.655 183.453 -3.20487 GPRESSURE: 1117000 -117.787 83.2976 276.481 241.43 156.328 173.961 134.325 164.342 -2.39718 PRESSAVG: 1117000 -1.71559 -5.23154 14.7105 -5.23154 67.3458 38.0934 14.7105 38.0934 -48.3343 GPRESSAVG: 1117000 -0.74849 -4.27484 17.0856 -4.4742 68.0379 36.7007 13.2313 38.2053 -49.7354 TIMING: 1117000 CPU: 3244.42, 0.00289349/step Wall: 3244.42, 0.00289349/step, 3.12095 hours remaining, 204.492188 MB of memory in use. ENERGY: 1117000 768.5207 2158.0856 1949.6887 129.0306 -206667.4787 18042.3003 0.0000 0.0000 34117.6774 -149502.1755 297.9582 -183619.8529 -149412.7763 298.4464 -15.4224 12.0480 556875.4089 5.7653 5.8513 PRESSURE: 1117200 -22.4695 83.2006 7.21092 83.2004 -44.6681 96.9402 7.21285 96.9404 -114.223 GPRESSURE: 1117200 42.2435 74.2709 -90.0295 60.3115 3.2132 132.904 46.512 137.339 -118.03 PRESSAVG: 1117200 26.1851 19.11 -13.1457 19.11 -45.8913 20.9266 -13.1457 20.9266 12.3405 GPRESSAVG: 1117200 23.6318 20.1217 -13.2423 19.7456 -44.3321 19.6863 -12.1794 21.5766 13.1414 TIMING: 1117200 CPU: 3245, 0.00290002/step Wall: 3245, 0.00290002/step, 3.12784 hours remaining, 204.492188 MB of memory in use. ENERGY: 1117200 735.1505 2071.0218 1963.8790 123.7383 -206416.7439 17901.5920 0.0000 0.0000 34081.6652 -149539.6972 297.6437 -183621.3624 -149437.7836 298.4175 -60.4535 -24.1912 557483.1063 -2.4552 -2.5196 PRESSURE: 1117400 84.3077 23.9863 188.681 23.9869 -74.4444 67.801 188.681 67.8027 -181.938 GPRESSURE: 1117400 143.605 31.1066 166.788 -4.64139 -110.468 87.7377 133.289 27.8102 -118.807 PRESSAVG: 1117400 11.1162 5.65016 -7.39699 5.65013 17.2462 20.9623 -7.3969 20.9623 32.5494 GPRESSAVG: 1117400 12.5782 3.89843 -6.76684 4.71272 16.379 22.1237 -6.84811 20.3157 31.776 TIMING: 1117400 CPU: 3245.58, 0.00290951/step Wall: 3245.58, 0.00290951/step, 3.13791 hours remaining, 204.753906 MB of memory in use. ENERGY: 1117400 740.4109 2088.4624 1954.4075 115.2057 -206109.9140 17815.2322 0.0000 0.0000 34093.2202 -149302.9751 297.7446 -183396.1953 -149207.0769 298.5665 -57.3582 -28.5568 556568.6029 20.3040 20.2444 PRESSURE: 1117600 -65.3602 -13.7496 -42.2955 -13.7511 -207.484 -106.131 -42.2956 -106.131 203.488 GPRESSURE: 1117600 -5.07273 -4.70266 -117.722 -50.0727 -168.311 -215.97 -9.9936 -122.314 214.069 PRESSAVG: 1117600 -30.611 0.756322 21.7909 0.756307 35.3888 16.8931 21.7908 16.8932 -8.43639 GPRESSAVG: 1117600 -32.1086 1.56955 20.9517 0.225887 34.9454 15.8261 21.402 17.5253 -6.92525 TIMING: 1117600 CPU: 3246.16, 0.00289476/step Wall: 3246.16, 0.00289476/step, 3.12184 hours remaining, 204.785156 MB of memory in use. ENERGY: 1117600 794.1923 2076.7978 1983.9952 123.1151 -206179.1308 17766.2298 0.0000 0.0000 34195.1456 -149239.6549 298.6347 -183434.8005 -149139.8110 299.1496 -23.1187 13.5618 555612.2843 -1.2195 -1.3628 PRESSURE: 1117800 -16.835 -282.066 116.613 -282.068 -165.883 -12.1947 116.614 -12.1945 151.468 GPRESSURE: 1117800 39.9836 -215.675 192.942 -277.289 -133.227 -6.19369 75.1632 32.874 159.938 PRESSAVG: 1117800 39.5073 -20.854 -4.91295 -20.854 -70.0669 -27.8611 -4.91293 -27.8611 21.7013 GPRESSAVG: 1117800 40.1467 -19.083 -2.21755 -19.4673 -70.7382 -27.7488 -6.70936 -27.9623 21.5731 TIMING: 1117800 CPU: 3246.74, 0.00290647/step Wall: 3246.74, 0.00290647/step, 3.1343 hours remaining, 204.785156 MB of memory in use. ENERGY: 1117800 723.3373 2053.4261 1996.4000 122.1036 -206258.0092 17828.2329 0.0000 0.0000 34154.7905 -149379.7188 298.2823 -183534.5093 -149284.0335 298.9419 -10.4167 22.2316 557945.5523 -2.9528 -3.0062 PRESSURE: 1118000 -35.4317 -9.18306 122.18 -9.18135 244.723 -137.386 122.178 -137.385 81.2269 GPRESSURE: 1118000 13.4265 -3.46197 116.21 -0.971509 283.679 -76.9667 157.217 -188.439 86.3163 PRESSAVG: 1118000 11.8787 -3.03571 11.0196 -3.03569 0.309154 -63.3734 11.0195 -63.3733 21.8715 GPRESSAVG: 1118000 11.9459 -3.12709 9.15813 -4.25712 1.324 -64.9058 13.267 -62.698 20.6636 TIMING: 1118000 CPU: 3247.32, 0.00290669/step Wall: 3247.32, 0.00290669/step, 3.13439 hours remaining, 204.824219 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: 1118000 774.8549 2079.4405 1971.1493 128.0042 -206566.7921 18048.2673 0.0000 0.0000 34229.0560 -149336.0199 298.9309 -183565.0759 -149242.7434 298.6391 96.8395 127.8073 556664.6735 11.3531 11.3112 PRESSURE: 1118200 -266.082 -9.99169 86.0965 -9.99207 -372.947 35.9033 86.0965 35.9042 -183.002 GPRESSURE: 1118200 -204.973 -4.62781 81.4774 -38.5116 -304.932 35.6787 36.4226 -19.9624 -225.91 PRESSAVG: 1118200 -18.2618 5.23473 14.3832 5.23474 66.1513 16.6824 14.3831 16.6823 -60.5672 GPRESSAVG: 1118200 -19.145 4.2199 14.2698 3.63303 66.7557 16.9511 14.5368 16.532 -59.8188 TIMING: 1118200 CPU: 3247.9, 0.00291364/step Wall: 3247.9, 0.00291364/step, 3.14171 hours remaining, 204.824219 MB of memory in use. ENERGY: 1118200 736.1922 2121.5837 1953.9808 107.4265 -205711.3709 17344.7368 0.0000 0.0000 34034.6966 -149412.7542 297.2335 -183447.4508 -149313.4309 298.1952 -274.0104 -245.2719 558941.1299 -4.2259 -4.0694 PRESSURE: 1118400 -35.8062 -118.168 -12.2258 -118.169 11.0835 30.0922 -12.2258 30.0927 3.07169 GPRESSURE: 1118400 23.0036 -60.066 -17.953 -157.79 99.3814 88.4852 -102.234 44.2645 -40.5014 PRESSAVG: 1118400 -31.6918 -21.7797 38.5979 -21.7797 66.895 26.5114 38.598 26.5115 -22.6729 GPRESSAVG: 1118400 -30.9659 -23.2562 39.9689 -19.4652 66.9673 28.8347 36.9826 25.7902 -23.5439 TIMING: 1118400 CPU: 3248.48, 0.00289073/step Wall: 3248.48, 0.00289073/step, 3.11685 hours remaining, 204.824219 MB of memory in use. ENERGY: 1118400 749.9574 2066.5110 1960.9764 117.3841 -206117.2407 17711.4054 0.0000 0.0000 34111.3253 -149399.6811 297.9027 -183511.0065 -149300.6688 298.4774 -7.2170 27.2946 557541.4948 4.1768 4.1525 PRESSURE: 1118600 -101.274 0.488726 -46.6444 0.48829 193.762 53.6864 -46.6439 53.6886 231.282 GPRESSURE: 1118600 -59.7857 46.6828 23.4919 -8.01919 217.637 96.4018 -60.1751 -5.79598 254.674 PRESSAVG: 1118600 -93.0717 9.254 11.2504 9.25394 65.6702 -15.2855 11.2504 -15.2854 24.7188 GPRESSAVG: 1118600 -92.95 10.8624 11.0906 9.14196 65.0661 -16.3709 12.1059 -15.1516 25.5937 TIMING: 1118600 CPU: 3249.06, 0.00289609/step Wall: 3249.06, 0.00289609/step, 3.12247 hours remaining, 204.824219 MB of memory in use. ENERGY: 1118600 783.8661 2071.6067 1962.0308 107.4177 -206662.4504 18191.8420 0.0000 0.0000 34314.1596 -149231.5276 299.6741 -183545.6872 -149135.7092 298.5004 107.9232 137.5086 557641.9417 -0.8942 -0.7634 PRESSURE: 1118800 -338.286 -0.968586 56.333 -0.968493 8.92174 0.0918074 56.3341 0.0920876 -352.191 GPRESSURE: 1118800 -268.347 -32.7611 73.0701 -46.4989 31.4777 -28.7057 68.2187 -2.19244 -352.885 PRESSAVG: 1118800 -0.982511 -20.2972 19.3064 -20.2972 45.535 0.300768 19.3064 0.300852 -52.9089 GPRESSAVG: 1118800 -1.06693 -20.9526 18.4336 -22.0305 43.892 -0.255883 20.121 2.09309 -51.6734 TIMING: 1118800 CPU: 3249.64, 0.00290582/step Wall: 3249.64, 0.00290582/step, 3.13279 hours remaining, 204.824219 MB of memory in use. ENERGY: 1118800 739.0320 2113.9598 1955.3998 113.2184 -205819.8155 17558.8702 0.0000 0.0000 34261.5193 -149077.8159 299.2144 -183339.3352 -148983.0661 299.2449 -227.1851 -196.5847 559205.8037 -2.7855 -2.9495 PRESSURE: 1119000 -366.301 -110.031 35.1784 -110.03 -18.7609 -2.02346 35.1787 -2.02237 88.8592 GPRESSURE: 1119000 -310.738 -118.591 98.5536 -98.7327 9.55917 110.864 78.8016 -68.5818 95.0731 PRESSAVG: 1119000 -69.6918 -20.0378 32.5293 -20.0378 6.45521 -6.17498 32.5293 -6.17483 58.113 GPRESSAVG: 1119000 -69.0282 -22.0648 33.404 -17.901 7.38343 -6.39604 32.3133 -7.81828 56.4267 TIMING: 1119000 CPU: 3250.22, 0.00288425/step Wall: 3250.22, 0.00288425/step, 3.10938 hours remaining, 204.824219 MB of memory in use. ENERGY: 1119000 724.3221 2074.2944 1963.7320 116.4835 -206120.5551 17678.0984 0.0000 0.0000 34409.6472 -149153.9776 300.5080 -183563.6248 -149062.4266 299.1214 -98.7341 -68.7019 557727.5692 -1.7079 -1.7394 PRESSURE: 1119200 -278.242 44.6284 -70.5459 44.6272 11.3723 -191.448 -70.5452 -191.448 431.225 GPRESSURE: 1119200 -281.274 87.3178 -71.707 102.173 132.524 -121.391 -12.6165 -248.63 409.877 PRESSAVG: 1119200 -21.7687 31.4 22.8629 31.3999 -27.9575 -7.00024 22.8629 -7.00029 69.9353 GPRESSAVG: 1119200 -22.48 34.8345 21.0285 29.9493 -28.2307 -7.07669 23.6798 -5.05726 71.4095 TIMING: 1119200 CPU: 3250.8, 0.00288857/step Wall: 3250.8, 0.00288857/step, 3.11388 hours remaining, 204.824219 MB of memory in use. ENERGY: 1119200 716.7916 2071.7698 1967.2538 117.1892 -205904.4914 17778.7490 0.0000 0.0000 34237.0420 -149015.6960 299.0006 -183252.7380 -148921.7887 299.0416 54.7852 87.0423 557962.6900 6.7364 6.8996 PRESSURE: 1119400 -134.748 16.2877 30.3464 16.2884 5.34636 97.5675 30.3455 97.5654 173.886 GPRESSURE: 1119400 -105.057 171.19 86.5602 -106.547 15.5569 95.3561 -11.5875 138.374 218.39 PRESSAVG: 1119400 -53.172 -30.3966 27.1804 -30.3966 -14.8757 43.7199 27.1803 43.7199 94.8528 GPRESSAVG: 1119400 -53.3664 -32.3616 27.8021 -29.3767 -14.4734 46.3955 26.6414 40.402 94.7522 TIMING: 1119400 CPU: 3251.37, 0.00288031/step Wall: 3251.37, 0.00288031/step, 3.10482 hours remaining, 204.824219 MB of memory in use. ENERGY: 1119400 752.8977 2085.5459 1971.2131 115.6446 -206303.8632 17922.2007 0.0000 0.0000 34271.5389 -149184.8223 299.3019 -183456.3612 -149088.2939 299.3143 14.8281 42.9635 557813.7599 8.9350 8.9708 PRESSURE: 1119600 -50.3029 -149.127 -49.7288 -149.128 -8.12419 149.365 -49.7282 149.364 150.616 GPRESSURE: 1119600 -41.723 -142.351 -101.115 -114.488 56.7244 200.788 -36.1253 203.363 164.592 PRESSAVG: 1119600 -23.5013 -50.8498 37.5577 -50.8498 73.2746 14.7195 37.5577 14.7197 -27.5377 GPRESSAVG: 1119600 -24.5133 -49.5252 38.5866 -50.9443 73.6673 12.9718 39.6088 17.5567 -26.7723 TIMING: 1119600 CPU: 3251.95, 0.00287827/step Wall: 3251.95, 0.00287827/step, 3.10245 hours remaining, 204.824219 MB of memory in use. ENERGY: 1119600 728.0002 2083.2886 2011.9697 106.3281 -205944.6832 17779.3708 0.0000 0.0000 34206.3435 -149029.3822 298.7325 -183235.7257 -148938.4892 299.3101 30.7296 59.8646 558199.8407 7.4119 7.4606 PRESSURE: 1119800 -49.3626 -151.4 161.271 -151.4 -13.3347 -54.2803 161.271 -54.2807 3.64421 GPRESSURE: 1119800 17.2431 -103.108 123.045 -146.546 -34.0721 8.46398 197.281 -40.8345 60.3013 PRESSAVG: 1119800 -44.4833 -36.1633 20.4926 -36.1631 66.0967 -6.04028 20.4925 -6.04026 -16.572 GPRESSAVG: 1119800 -42.4176 -38.2404 21.4206 -36.2258 64.8444 -5.21036 18.2964 -6.87626 -17.5102 TIMING: 1119800 CPU: 3252.53, 0.00288325/step Wall: 3252.53, 0.00288325/step, 3.10766 hours remaining, 204.824219 MB of memory in use. ENERGY: 1119800 729.5568 2114.1093 1974.2514 118.5456 -206006.6892 17793.5655 0.0000 0.0000 34408.9309 -148867.7296 300.5018 -183276.6605 -148768.2558 299.3091 -19.6844 14.4908 557985.8718 1.6805 1.6388 PRESSURE: 1120000 -28.1462 45.8188 113.839 45.8197 170.591 34.5824 113.84 34.5818 -13.8003 GPRESSURE: 1120000 -26.9459 106.666 99.9277 -31.8136 198.735 78.0405 82.8298 89.339 64.5214 PRESSAVG: 1120000 14.6246 -15.1227 18.5157 -15.1228 36.265 8.12548 18.5159 8.12548 -62.5507 GPRESSAVG: 1120000 14.7341 -14.9599 16.912 -13.8914 36.2323 5.71407 21.8997 11.0777 -62.6225 TIMING: 1120000 CPU: 3253.11, 0.0029165/step Wall: 3253.11, 0.0029165/step, 3.14334 hours remaining, 204.824219 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: 1120000 724.7133 2097.6118 1984.5896 116.1384 -206168.6187 17908.5289 0.0000 0.0000 34287.9990 -149049.0376 299.4456 -183337.0366 -148947.5291 299.7593 42.8814 78.7702 557475.0160 -3.8870 -3.8854 PRESSURE: 1120200 -98.541 -10.8569 125.297 -10.8577 11.3057 77.0121 125.297 77.0116 22.8195 GPRESSURE: 1120200 -60.0847 -15.2327 117.518 0.17279 25.8091 67.8621 118.812 98.1434 61.8268 PRESSAVG: 1120200 43.67 11.6999 28.3436 11.7 -22.3485 33.2403 28.3435 33.2403 -19.7621 GPRESSAVG: 1120200 42.4609 10.8769 29.1625 11.469 -22.8564 31.9181 26.3973 31.0476 -18.294 TIMING: 1120200 CPU: 3253.69, 0.00290305/step Wall: 3253.69, 0.00290305/step, 3.12868 hours remaining, 204.824219 MB of memory in use. ENERGY: 1120200 812.1550 2049.4796 1956.6172 117.4568 -206012.5785 17921.0699 0.0000 0.0000 34173.8584 -148981.9415 298.4488 -183155.8000 -148881.7723 299.8222 -21.4720 9.1837 557434.5491 0.5198 0.4368 LDB: ============= START OF LOAD BALANCING ============== 3257.15 LDB: ============== END OF LOAD BALANCING =============== 3257.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3257.16 LDB: ============= START OF LOAD BALANCING ============== 3257.44 LDB: Largest compute 4826 load 0.026214 is 22.3% of average load 0.117588 LDB: Average compute 0.001742 is 1.5% of average load 0.117588 LDB: TIME 3257.45 LOAD: AVG 0.117588 MAX 0.177405 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.293 MB LDB: TIME 3257.45 LOAD: AVG 0.117588 MAX 0.177405 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: TIME 3257.45 LOAD: AVG 0.117588 MAX 0.177405 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: ============== END OF LOAD BALANCING =============== 3257.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3257.45 PRESSURE: 1120400 -303.559 -101.362 37.4199 -101.362 -169.41 -11.4327 37.4209 -11.4342 33.9131 GPRESSURE: 1120400 -250.627 -19.8767 131.606 -112.698 -102.868 8.51931 10.8339 1.00972 17.5963 PRESSAVG: 1120400 -40.9175 2.12484 30.5549 2.12463 -22.0319 -24.4816 30.5549 -24.4815 4.28302 GPRESSAVG: 1120400 -40.8845 3.51472 31.2818 1.11596 -20.7011 -23.8781 29.4803 -24.0025 3.13473 TIMING: 1120400 CPU: 3254.28, 0.00294059/step Wall: 3254.28, 0.00294059/step, 3.16898 hours remaining, 204.750000 MB of memory in use. ENERGY: 1120400 751.9500 2082.6723 1960.3726 128.4416 -205857.0717 17688.2053 0.0000 0.0000 34100.1855 -149145.2443 297.8054 -183245.4299 -149057.8591 299.0715 -146.3521 -111.9663 558665.5650 -19.5554 -19.4836 PRESSURE: 1120600 -98.195 -68.2306 -2.14956 -68.2324 -62.0672 -166.887 -2.14808 -166.886 -22.3073 GPRESSURE: 1120600 -112.114 -66.7695 27.2296 -4.08026 -15.4385 -176.038 6.1074 -186.723 34.2262 PRESSAVG: 1120600 -23.4555 -40.0634 9.05836 -40.0635 48.2715 -18.0609 9.05839 -18.0609 -29.3145 GPRESSAVG: 1120600 -23.3336 -41.7476 9.8192 -37.4627 48.3409 -16.1351 10.3286 -19.3928 -29.7434 TIMING: 1120600 CPU: 3254.86, 0.00289104/step Wall: 3254.86, 0.00289104/step, 3.11541 hours remaining, 204.750000 MB of memory in use. ENERGY: 1120600 740.5985 2113.8423 1947.2203 115.5497 -206286.5351 17963.8806 0.0000 0.0000 34051.1422 -149354.3016 297.3771 -183405.4438 -149263.0302 298.9410 -60.8565 -31.1086 557528.4456 -1.4995 -1.5787 PRESSURE: 1120800 -148.662 24.2634 -68.4573 24.2637 -197.791 -5.83398 -68.4569 -5.83454 -207.504 GPRESSURE: 1120800 -119.609 -35.2754 -119.013 31.7767 -135.455 14.1386 -36.7005 -12.9008 -205.128 PRESSAVG: 1120800 -64.6162 -34.9172 52.0341 -34.9172 102.621 -38.7828 52.0341 -38.7827 -57.8624 GPRESSAVG: 1120800 -64.2501 -34.1408 52.2145 -34.8549 101.968 -38.2129 49.3449 -37.5256 -57.4576 TIMING: 1120800 CPU: 3255.43, 0.00288036/step Wall: 3255.43, 0.00288036/step, 3.10375 hours remaining, 205.011719 MB of memory in use. ENERGY: 1120800 714.8610 2098.0729 1964.6222 107.0935 -205774.3602 17563.5478 0.0000 0.0000 34131.6308 -149194.5320 298.0800 -183326.1628 -149103.7617 299.2520 -184.6523 -153.3976 559707.2780 -6.6191 -6.5800 PRESSURE: 1121000 -33.8296 118.333 -79.7565 118.333 18.1003 52.3497 -79.7565 52.3504 134.605 GPRESSURE: 1121000 -61.4386 108.413 -150.091 112.851 39.4463 -9.16834 43.82 77.7877 240.108 PRESSAVG: 1121000 -2.72931 17.4986 3.90205 17.4985 -1.79865 51.4628 3.902 51.4628 0.30429 GPRESSAVG: 1121000 -2.45385 17.4046 3.59377 14.1009 -2.13952 51.2044 4.6664 50.3167 0.480667 TIMING: 1121000 CPU: 3256.01, 0.00289121/step Wall: 3256.01, 0.00289121/step, 3.11528 hours remaining, 205.023438 MB of memory in use. ENERGY: 1121000 765.5831 2081.4761 1952.7973 107.9708 -206253.3574 17978.0822 0.0000 0.0000 34259.6131 -149107.8347 299.1977 -183367.4478 -149014.1222 299.6659 39.6253 72.7052 557693.0016 -1.4079 -1.3709 PRESSURE: 1121200 -144.365 77.5052 -4.97113 77.5057 32.7815 -111.471 -4.97182 -111.471 -43.8715 GPRESSURE: 1121200 -118.168 65.2377 64.2633 5.13254 57.9566 -87.7304 -19.9684 -133.274 -24.115 PRESSAVG: 1121200 -45.11 33.4019 -5.14214 33.4019 -10.773 11.1886 -5.14207 11.1885 44.3177 GPRESSAVG: 1121200 -45.261 33.7962 -6.75909 34.2121 -10.5042 10.7402 -3.32918 12.3203 43.7345 TIMING: 1121200 CPU: 3256.59, 0.00289347/step Wall: 3256.59, 0.00289347/step, 3.11756 hours remaining, 205.023438 MB of memory in use. ENERGY: 1121200 719.2230 2129.1378 1977.7850 105.9931 -205778.9698 17594.1494 0.0000 0.0000 34252.6740 -149000.0074 299.1371 -183252.6815 -148907.9622 299.6076 -51.8184 -28.1089 557300.8722 -3.8551 -4.0102 PRESSURE: 1121400 -155.468 -78.3595 179.122 -78.3572 -425.965 -266.919 179.122 -266.92 39.9795 GPRESSURE: 1121400 -178.016 -115.54 238.016 -72.1101 -340.064 -203.46 119.426 -244.174 65.5364 PRESSAVG: 1121400 9.97939 39.0276 36.5973 39.0277 -8.51455 -15.5886 36.5973 -15.5884 -18.0075 GPRESSAVG: 1121400 9.64424 36.884 36.7158 40.7016 -8.16231 -16.4428 36.6082 -14.5538 -18.2938 TIMING: 1121400 CPU: 3257.17, 0.00291276/step Wall: 3257.17, 0.00291276/step, 3.13817 hours remaining, 205.023438 MB of memory in use. ENERGY: 1121400 740.4826 2099.4371 1947.7417 108.3006 -205512.7716 17373.9019 0.0000 0.0000 34148.0609 -149094.8468 298.2235 -183242.9077 -148995.7712 299.0754 -180.4847 -150.8478 556635.0084 -5.5142 -5.6040 PRESSURE: 1121600 80.5229 -17.7202 66.9922 -17.7216 77.4792 -106.023 66.9926 -106.021 -15.4881 GPRESSURE: 1121600 94.0565 84.4485 41.9213 -63.0728 120.199 -86.3429 62.5647 -103.814 27.4861 PRESSAVG: 1121600 21.6748 70.357 48.6834 70.3571 -7.2041 -7.15014 48.6834 -7.15009 24.6442 GPRESSAVG: 1121600 21.885 71.5398 51.4393 69.6078 -8.10209 -5.76432 46.1364 -7.69365 25.5088 TIMING: 1121600 CPU: 3257.75, 0.00290722/step Wall: 3257.75, 0.00290722/step, 3.13204 hours remaining, 205.023438 MB of memory in use. ENERGY: 1121600 729.4345 2081.8505 1942.4304 101.1501 -206139.8721 17825.1972 0.0000 0.0000 34251.7008 -149208.1086 299.1286 -183459.8095 -149110.9741 299.5417 47.5047 80.5806 556575.6308 13.0383 13.0972 PRESSURE: 1121800 285.054 104.709 72.287 104.707 -17.9443 -77.475 72.2878 -77.4757 -2.5339 GPRESSURE: 1121800 305.357 92.076 89.2718 39.6193 17.4697 -56.0892 79.038 -66.3479 38.1289 PRESSAVG: 1121800 -5.34768 10.6991 63.0283 10.699 -31.128 -16.3477 63.0282 -16.3476 -2.26294 GPRESSAVG: 1121800 -4.90141 10.3193 61.6982 9.9761 -31.0903 -17.5194 64.8523 -17.47 -2.91886 TIMING: 1121800 CPU: 3258.33, 0.00287649/step Wall: 3258.33, 0.00287649/step, 3.09878 hours remaining, 205.023438 MB of memory in use. ENERGY: 1121800 736.8566 2117.6501 1948.3579 113.8585 -206417.9980 18095.9745 0.0000 0.0000 34156.1323 -149249.1682 298.2940 -183405.3005 -149157.1814 299.0156 88.1918 120.3185 557703.9254 -12.9129 -12.9702 PRESSURE: 1122000 132.403 28.3526 -68.4657 28.3528 18.0769 -24.9442 -68.4655 -24.9454 115.003 GPRESSURE: 1122000 165.386 24.7861 -30.1106 38.2539 51.0996 -22.3776 -103.106 -83.1319 132.873 PRESSAVG: 1122000 -23.4057 33.5365 76.6442 33.5364 5.53483 0.759988 76.6442 0.760023 14.2633 GPRESSAVG: 1122000 -23.812 34.8691 78.1699 34.4529 5.06142 0.278676 74.6886 1.50478 14.3673 TIMING: 1122000 CPU: 3258.91, 0.00289766/step Wall: 3258.91, 0.00289766/step, 3.12143 hours remaining, 205.023438 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: 1122000 721.1170 2050.8001 1977.5715 124.8483 -206408.6921 17820.4463 0.0000 0.0000 34365.3395 -149348.5694 300.1211 -183713.9089 -149254.6623 298.9072 88.4944 116.4530 555960.2722 -1.2025 -1.4611 PRESSURE: 1122200 -1.35741 -30.7271 32.1051 -30.7292 -152.953 -191.151 32.1053 -191.153 -58.6166 GPRESSURE: 1122200 36.3612 -101.728 86.0381 -0.047875 -118.338 -226.887 54.3737 -152.923 -22.7906 PRESSAVG: 1122200 -20.9169 -14.0228 -10.2542 -14.0227 -0.795524 -10.5517 -10.2541 -10.5517 22.8142 GPRESSAVG: 1122200 -21.8293 -15.0017 -11.0137 -14.4862 -0.689095 -9.75227 -8.81204 -10.9709 23.4604 TIMING: 1122200 CPU: 3259.48, 0.00287374/step Wall: 3259.48, 0.00287374/step, 3.0955 hours remaining, 205.023438 MB of memory in use. ENERGY: 1122200 753.2296 2117.9975 1941.3174 102.7161 -206125.0518 17704.2693 0.0000 0.0000 34267.3842 -149238.1378 299.2656 -183505.5221 -149144.2638 299.2269 -70.9756 -34.9224 556584.6143 0.3672 0.3140 PRESSURE: 1122400 177.859 -101.268 -56.3259 -101.268 -96.6981 -31.5865 -56.3253 -31.5852 140.187 GPRESSURE: 1122400 201.648 -69.8059 46.1444 -111.25 -48.5825 -28.9841 -57.0989 -47.0553 155.837 PRESSAVG: 1122400 -35.4893 -21.9161 8.50956 -21.9161 -25.98 37.1347 8.50957 37.1346 0.329326 GPRESSAVG: 1122400 -35.7426 -19.8482 7.68848 -20.8821 -25.4891 38.1172 9.30762 36.0824 -0.258691 TIMING: 1122400 CPU: 3260.06, 0.00289849/step Wall: 3260.06, 0.00289849/step, 3.12199 hours remaining, 205.023438 MB of memory in use. ENERGY: 1122400 698.2003 2111.7697 1971.6859 108.4316 -206463.6926 17998.4019 0.0000 0.0000 34201.4344 -149373.7689 298.6896 -183575.2033 -149275.8969 299.2342 73.7825 102.9676 557463.7420 -20.3800 -20.4968 PRESSURE: 1122600 -78.4143 -114.038 0.685745 -114.038 86.1216 65.5833 0.685434 65.5833 -27.5309 GPRESSURE: 1122600 -97.8734 -69.4158 -6.60555 -32.4683 131.878 17.1206 -37.3055 107.978 51.4867 PRESSAVG: 1122600 -39.1415 -31.4833 22.9331 -31.4833 27.7715 9.94359 22.9331 9.94357 29.9008 GPRESSAVG: 1122600 -39.727 -32.2321 21.5455 -33.003 27.8725 9.79974 24.1142 11.8347 30.5086 TIMING: 1122600 CPU: 3260.65, 0.00292767/step Wall: 3260.65, 0.00292767/step, 3.15327 hours remaining, 205.023438 MB of memory in use. ENERGY: 1122600 727.3905 2040.5620 1946.8080 118.2649 -206262.3140 17747.4631 0.0000 0.0000 34414.1158 -149267.7097 300.5470 -183681.8256 -149168.4816 299.3517 -6.6079 28.4970 557029.0047 6.1769 6.2180 PRESSURE: 1122800 -155.093 -17.4849 -94.8351 -17.4848 -124.407 148.494 -94.8349 148.494 -66.642 GPRESSURE: 1122800 -116.984 0.136856 -103.171 43.2478 -65.4949 181.152 -40.0213 25.7149 -59.1888 PRESSAVG: 1122800 10.6072 1.36054 -11.2091 1.36052 65.1967 11.0724 -11.209 11.0724 -59.211 GPRESSAVG: 1122800 11.7079 1.49609 -11.0829 2.01217 65.0046 8.42803 -11.0316 11.1887 -59.3082 TIMING: 1122800 CPU: 3261.23, 0.00291956/step Wall: 3261.23, 0.00291956/step, 3.14437 hours remaining, 205.023438 MB of memory in use. ENERGY: 1122800 750.3026 2164.0900 1939.0707 128.9448 -205875.9508 17585.8381 0.0000 0.0000 34005.6392 -149302.0654 296.9797 -183307.7046 -149204.5965 298.5413 -115.3807 -80.5560 557740.7936 5.5310 5.8014 PRESSURE: 1123000 70.8219 -92.3028 -232.808 -92.3032 43.1066 -58.26 -232.806 -58.2602 -10.1968 GPRESSURE: 1123000 107.655 -173.821 -228.871 -49.6515 24.5222 -52.359 -247.741 -64.7652 70.2372 PRESSAVG: 1123000 58.512 39.8504 -47.7978 39.8504 -46.6931 -55.5709 -47.7978 -55.5711 -21.6527 GPRESSAVG: 1123000 57.2871 39.5248 -47.5092 41.6847 -44.754 -54.8758 -48.3221 -57.4466 -21.7708 TIMING: 1123000 CPU: 3261.82, 0.00292192/step Wall: 3261.82, 0.00292192/step, 3.14675 hours remaining, 205.023438 MB of memory in use. ENERGY: 1123000 743.8063 2126.0044 1958.7221 122.6549 -206431.0165 17966.1060 0.0000 0.0000 34271.5033 -149242.2195 299.3016 -183513.7228 -149148.4319 299.0271 34.5772 67.4716 557563.7814 -3.2779 -3.0792 PRESSURE: 1123200 137.441 156.098 -181.583 156.099 39.4963 -87.3344 -181.583 -87.3347 117.9 GPRESSURE: 1123200 137.159 129.661 -224.883 120.592 123.313 -71.7169 -205.462 -33.5654 129.882 PRESSAVG: 1123200 31.3936 58.1636 -17.2846 58.1637 14.7334 -44.2252 -17.2846 -44.2251 -37.142 GPRESSAVG: 1123200 32.8322 60.1057 -18.283 56.8985 13.4101 -42.3328 -15.8704 -44.8331 -37.3588 TIMING: 1123200 CPU: 3262.4, 0.00291032/step Wall: 3262.4, 0.00291032/step, 3.1341 hours remaining, 205.023438 MB of memory in use. ENERGY: 1123200 765.3539 2065.3964 1937.9052 111.1189 -206331.9287 17996.3397 0.0000 0.0000 34188.4028 -149267.4118 298.5758 -183455.8146 -149168.8255 298.7159 98.2791 130.1182 557687.8184 2.9950 2.9612 PRESSURE: 1123400 137.356 -165.866 -94.2102 -165.865 162.408 -7.57128 -94.2099 -7.57167 -16.714 GPRESSURE: 1123400 123.863 -100.212 -85.5638 -143.298 208.907 -35.8882 -69.7065 -3.33059 45.8915 PRESSAVG: 1123400 48.2922 4.60417 -42.3809 4.60421 -28.4268 -7.68775 -42.381 -7.68779 -13.4331 GPRESSAVG: 1123400 48.5817 3.36878 -40.2927 6.01688 -28.7554 -11.2067 -44.907 -5.18417 -13.2885 TIMING: 1123400 CPU: 3262.98, 0.0028866/step Wall: 3262.98, 0.0028866/step, 3.10838 hours remaining, 205.023438 MB of memory in use. ENERGY: 1123400 728.3899 2107.0198 1941.0238 105.8715 -206276.2223 17895.7436 0.0000 0.0000 34260.5559 -149237.6179 299.2060 -183498.1737 -149145.8206 299.2615 94.3501 126.2205 556551.2396 2.1441 2.1792 PRESSURE: 1123600 -41.8954 11.6695 -79.379 11.6706 -14.4158 24.0101 -79.3776 24.0099 109.4 GPRESSURE: 1123600 -36.4054 52.0768 -171.393 29.8616 46.2132 -52.7107 -2.71549 11.128 145.699 PRESSAVG: 1123600 -9.59328 9.21475 -26.8992 9.21463 -3.47605 -25.0694 -26.8992 -25.0695 4.98286 GPRESSAVG: 1123600 -10.0802 8.63191 -29.3017 8.09326 -4.18479 -23.6418 -24.6519 -25.2721 5.99142 TIMING: 1123600 CPU: 3263.55, 0.00287807/step Wall: 3263.55, 0.00287807/step, 3.09904 hours remaining, 205.023438 MB of memory in use. ENERGY: 1123600 759.1002 2113.2093 1928.5100 110.5038 -206239.6377 17844.4852 0.0000 0.0000 34209.4821 -149274.3470 298.7599 -183483.8291 -149174.9298 299.2171 17.6964 51.8356 557144.3559 -2.6955 -2.7579 PRESSURE: 1123800 -27.602 128.981 -51.4916 128.981 109.025 13.2817 -51.4913 13.2808 38.4979 GPRESSURE: 1123800 -6.32727 72.9871 -46.9983 177.488 149.552 45.2268 -32.3969 84.4086 84.9148 PRESSAVG: 1123800 -18.1978 27.1786 -41.5227 27.1786 10.1577 -26.6767 -41.5227 -26.6767 -8.19165 GPRESSAVG: 1123800 -17.553 27.8899 -39.947 28.6282 10.8091 -24.9928 -44.0678 -28.1216 -9.75285 TIMING: 1123800 CPU: 3264.14, 0.00292247/step Wall: 3264.14, 0.00292247/step, 3.14669 hours remaining, 205.023438 MB of memory in use. ENERGY: 1123800 754.7594 2095.6205 1951.9138 97.3228 -206302.8749 17783.4471 0.0000 0.0000 34369.7667 -149250.0447 300.1597 -183619.8114 -149153.7821 299.5055 39.9736 76.0465 556239.8728 -5.4106 -5.4989 PRESSURE: 1124000 -70.6109 -99.3726 -60.1196 -99.3727 87.1791 -50.6699 -60.1205 -50.6685 12.9586 GPRESSURE: 1124000 -94.9099 -65.1715 -86.8921 -79.7081 121.256 -79.3787 -1.2227 -57.7936 110.436 PRESSAVG: 1124000 -23.463 23.5418 53.6379 23.5418 22.0352 -45.2543 53.638 -45.2542 3.52297 GPRESSAVG: 1124000 -23.7691 24.3522 55.2085 22.902 22.5024 -45.6077 54.1725 -44.2125 3.45686 TIMING: 1124000 CPU: 3264.71, 0.00289029/step Wall: 3264.71, 0.00289029/step, 3.11188 hours remaining, 205.023438 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: 1124000 767.5035 2102.3401 1949.2473 108.4232 -206068.8733 17804.6832 0.0000 0.0000 34108.7396 -149227.9364 297.8801 -183336.6760 -149130.0377 298.8629 9.8422 45.5941 557322.4647 0.6984 0.7300 PRESSURE: 1124200 114.2 -248.937 -136.672 -248.938 -161.261 146.51 -136.673 146.512 136.455 GPRESSURE: 1124200 168.595 -204.064 -175.968 -225.299 -104.67 159.668 -158.453 166.096 129.235 PRESSAVG: 1124200 -17.6106 -42.8823 21.3423 -42.8823 40.3761 -0.247752 21.3422 -0.247768 -24.6534 GPRESSAVG: 1124200 -17.6826 -42.5525 18.935 -42.4071 40.2791 1.5248 21.1483 0.0874732 -24.6086 TIMING: 1124200 CPU: 3265.3, 0.00291674/step Wall: 3265.3, 0.00291674/step, 3.14019 hours remaining, 205.023438 MB of memory in use. ENERGY: 1124200 753.4607 2053.3245 1932.2759 104.9300 -206271.6569 17914.5249 0.0000 0.0000 34477.6427 -149035.4983 301.1018 -183513.1410 -148939.0795 299.5271 29.7977 64.3869 558686.8810 -0.6293 -0.6707 LDB: ============= START OF LOAD BALANCING ============== 3268.76 LDB: ============== END OF LOAD BALANCING =============== 3268.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3268.77 LDB: ============= START OF LOAD BALANCING ============== 3269.06 LDB: Largest compute 4826 load 0.028098 is 23.9% of average load 0.117636 LDB: Average compute 0.001742 is 1.5% of average load 0.117636 LDB: TIME 3269.06 LOAD: AVG 0.117636 MAX 0.178211 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.969 MB LDB: TIME 3269.06 LOAD: AVG 0.117636 MAX 0.178211 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: TIME 3269.06 LOAD: AVG 0.117636 MAX 0.178211 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3269.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3269.07 PRESSURE: 1124400 14.7987 -99.8575 -28.8876 -99.858 279.038 25.3151 -28.8861 25.3148 263.698 GPRESSURE: 1124400 62.2157 -69.6658 -9.45703 -53.0175 351.758 -51.8173 37.0801 61.0511 246.524 PRESSAVG: 1124400 20.7496 -20.6912 23.488 -20.6911 56.6695 7.74032 23.488 7.74044 -62.9818 GPRESSAVG: 1124400 21.1408 -19.6651 23.7637 -21.5702 57.3388 4.36405 24.9807 8.14403 -64.3803 TIMING: 1124400 CPU: 3265.89, 0.00297102/step Wall: 3265.89, 0.00297102/step, 3.19847 hours remaining, 205.539062 MB of memory in use. ENERGY: 1124400 713.8096 2068.2527 1963.6555 104.3542 -206010.1203 17749.7742 0.0000 0.0000 34037.2709 -149373.0033 297.2560 -183410.2741 -149271.7268 299.1475 185.8449 220.1661 557624.5016 4.8125 4.6998 PRESSURE: 1124600 -198.35 -69.2917 75.7089 -69.2919 322.327 1.07435 75.7073 1.07512 -106.386 GPRESSURE: 1124600 -134.288 -78.3873 67.5429 -88.311 322.127 -60.6769 31.1734 23.8514 -59.0076 PRESSAVG: 1124600 3.17797 9.34409 32.6663 9.34406 -1.62547 -5.63119 32.6663 -5.63116 13.0437 GPRESSAVG: 1124600 3.95546 9.59569 32.8798 10.0677 -3.07879 -3.88541 31.0747 -5.63428 14.0986 TIMING: 1124600 CPU: 3266.48, 0.00292114/step Wall: 3266.48, 0.00292114/step, 3.14461 hours remaining, 206.000000 MB of memory in use. ENERGY: 1124600 715.1547 2055.5008 1945.9464 111.5177 -205999.5788 17715.1178 0.0000 0.0000 34179.9876 -149276.3538 298.5023 -183456.3415 -149179.3215 298.4613 5.8638 42.9441 556601.3803 4.8654 4.9917 PRESSURE: 1124800 -235.622 30.7881 62.5919 30.789 -220.269 -78.2131 62.5914 -78.214 -65.2764 GPRESSURE: 1124800 -231.969 117.199 110.018 -83.2568 -133.551 -136.27 67.0706 -35.7386 -76.0274 PRESSAVG: 1124800 -77.1915 -6.90926 8.00928 -6.90932 51.7288 -3.38994 8.00932 -3.38981 37.3928 GPRESSAVG: 1124800 -78.8455 -9.54266 8.20344 -6.61149 52.6178 -2.83048 9.32296 -4.65367 37.1926 TIMING: 1124800 CPU: 3267.05, 0.00289312/step Wall: 3267.05, 0.00289312/step, 3.11428 hours remaining, 206.000000 MB of memory in use. ENERGY: 1124800 700.3053 2054.8506 1966.4703 108.9683 -205866.7019 17403.9365 0.0000 0.0000 34273.4080 -149358.7629 299.3182 -183632.1710 -149259.7370 298.6175 -173.7223 -147.1823 556541.4608 3.9767 3.6550 PRESSURE: 1125000 -244.998 24.2185 160.768 24.2191 -39.3676 2.42454 160.768 2.42296 -343.047 GPRESSURE: 1125000 -201.517 -26.8061 42.4894 57.631 -35.9884 -3.99495 168.05 32.0212 -289.085 PRESSAVG: 1125000 -10.9957 -32.2728 -43.2915 -32.2728 24.7349 13.5945 -43.2914 13.5945 -21.3322 GPRESSAVG: 1125000 -10.0875 -30.3521 -43.1076 -31.983 23.7758 12.6031 -44.1266 12.7429 -21.0933 TIMING: 1125000 CPU: 3267.64, 0.00290475/step Wall: 3267.64, 0.00290475/step, 3.12664 hours remaining, 206.101562 MB of memory in use. ENERGY: 1125000 744.4279 2030.7101 1976.7041 100.3880 -205726.0817 17425.3778 0.0000 0.0000 34090.7162 -149357.7576 297.7227 -183448.4737 -149263.3362 298.2590 -209.1375 -175.5302 558036.9984 -2.5310 -2.4683 PRESSURE: 1125200 -49.4772 36.4909 11.9175 36.4905 95.0386 4.02505 11.9166 4.02515 -29.9449 GPRESSURE: 1125200 -19.5795 25.7924 39.4193 36.3547 145.338 -49.3652 76.2274 -12.0561 -11.6427 PRESSAVG: 1125200 -48.6738 -22.5398 47.9864 -22.5399 -25.0791 -48.1377 47.9865 -48.1377 37.9008 GPRESSAVG: 1125200 -50.3381 -24.1725 46.7812 -20.8966 -23.6084 -48.9348 48.6492 -45.594 37.7694 TIMING: 1125200 CPU: 3268.22, 0.00290014/step Wall: 3268.22, 0.00290014/step, 3.12152 hours remaining, 206.101562 MB of memory in use. ENERGY: 1125200 749.2992 2090.0591 1980.5737 120.7504 -206465.2320 17792.2781 0.0000 0.0000 34280.4401 -149451.8314 299.3796 -183732.2715 -149358.5807 298.3247 5.2055 38.0386 556047.5623 -11.9507 -12.0590 PRESSURE: 1125400 -75.2051 95.8822 1.2146 95.8823 -156.735 -45.5549 1.2138 -45.5552 26.0113 GPRESSURE: 1125400 -21.9583 167.298 -9.56447 97.8711 -115.306 -10.3502 62.5857 -18.2128 21.4376 PRESSAVG: 1125400 -2.14391 -40.9276 -11.908 -40.9276 33.4566 -63.2661 -11.908 -63.2661 -37.4917 GPRESSAVG: 1125400 -1.08526 -38.5207 -9.8391 -45.324 32.7198 -63.1364 -11.697 -63.9122 -37.6524 TIMING: 1125400 CPU: 3268.8, 0.0029192/step Wall: 3268.8, 0.0029192/step, 3.14187 hours remaining, 206.101562 MB of memory in use. ENERGY: 1125400 763.7485 2050.3837 1980.4165 110.2799 -206161.5660 17815.0651 0.0000 0.0000 34192.0536 -149249.6187 298.6077 -183441.6723 -149156.9257 299.3035 -68.6429 -38.6088 556758.6149 -2.0597 -2.0060 PRESSURE: 1125600 30.2352 147.793 139.332 147.793 79.3719 -29.2504 139.332 -29.2495 100.785 GPRESSURE: 1125600 75.2455 124.428 131.018 72.9985 118.94 32.6396 109.452 -71.3295 128.473 PRESSAVG: 1125600 48.8781 -6.29534 -15.9119 -6.29531 -52.5888 -23.0986 -15.9119 -23.0986 -9.65927 GPRESSAVG: 1125600 49.5339 -8.14876 -16.9712 -2.78553 -52.4566 -22.0775 -16.5597 -23.9919 -10.3704 TIMING: 1125600 CPU: 3269.38, 0.00289241/step Wall: 3269.38, 0.00289241/step, 3.11287 hours remaining, 206.101562 MB of memory in use. ENERGY: 1125600 712.3008 2097.0081 1964.6708 112.6688 -206044.6279 17782.3117 0.0000 0.0000 34182.1988 -149193.4688 298.5216 -183375.6677 -149098.9271 298.7382 70.1305 107.5528 557809.6894 -4.4566 -4.4311 PRESSURE: 1125800 -1.48067 5.92839 -41.7492 5.92919 -384.914 -177.608 -41.7488 -177.61 -26.5414 GPRESSURE: 1125800 94.2708 -7.60928 -61.5279 7.08446 -343.434 -106.224 -113.348 -155.472 -65.556 PRESSAVG: 1125800 -13.1499 -15.8901 86.5377 -15.8901 65.9587 -27.0914 86.5378 -27.0914 -48.2275 GPRESSAVG: 1125800 -14.1986 -16.1771 85.4411 -18.2075 67.0796 -24.7697 86.3491 -26.7962 -47.7342 TIMING: 1125800 CPU: 3269.96, 0.0029147/step Wall: 3269.96, 0.0029147/step, 3.1367 hours remaining, 206.101562 MB of memory in use. ENERGY: 1125800 738.5596 2088.0962 1965.1571 129.4266 -206042.4139 17789.6397 0.0000 0.0000 34240.9457 -149090.5890 299.0347 -183331.5347 -148999.4487 298.9795 -137.6453 -104.9063 557946.2973 1.5271 1.7156 PRESSURE: 1126000 -43.8703 -23.8845 90.5844 -23.8846 -184.505 157.392 90.5848 157.393 -155.487 GPRESSURE: 1126000 -12.5577 -9.01557 101.565 -57.2363 -149.282 166.901 98.0706 101.438 -119.842 PRESSAVG: 1126000 23.3438 5.16593 6.72865 5.16577 -44.1303 4.03617 6.72863 4.03607 -21.5445 GPRESSAVG: 1126000 25.3612 4.30042 8.1378 7.87011 -45.3456 4.65199 7.08266 3.05245 -23.0895 TIMING: 1126000 CPU: 3270.54, 0.00291483/step Wall: 3270.54, 0.00291483/step, 3.13668 hours remaining, 206.101562 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: 1126000 769.1310 2046.1713 1958.0721 114.2669 -205870.3089 17632.9265 0.0000 0.0000 34288.1082 -149061.6329 299.4466 -183349.7410 -148964.6250 299.9407 -127.9541 -93.8939 558479.8776 -14.1103 -14.3580 PRESSURE: 1126200 94.2355 65.6177 98.5943 65.6183 -38.8296 66.7751 98.5956 66.7758 21.5167 GPRESSURE: 1126200 103.534 112.453 48.4349 70.1986 -12.384 89.1619 88.3993 48.9887 90.3625 PRESSAVG: 1126200 -5.82066 39.7345 31.6493 39.7346 -18.0223 -2.73834 31.6493 -2.73824 5.74854 GPRESSAVG: 1126200 -6.67349 39.7695 31.1928 39.0235 -18.3016 -6.20813 31.6248 -0.879743 6.62449 TIMING: 1126200 CPU: 3271.12, 0.00289517/step Wall: 3271.12, 0.00289517/step, 3.11536 hours remaining, 206.101562 MB of memory in use. ENERGY: 1126200 762.5984 2126.5129 1958.9679 103.7219 -206190.1613 17924.6495 0.0000 0.0000 34213.0118 -149100.6989 298.7907 -183313.7107 -149002.2971 299.5463 25.6408 60.5041 558704.3695 -6.0315 -6.1169 PRESSURE: 1126400 -262.813 -90.9556 137.24 -90.956 -264.266 70.4248 137.24 70.4248 -178.021 GPRESSURE: 1126400 -195.277 -129.936 144.257 -78.7524 -263.181 50.1624 124.011 86.8577 -158.267 PRESSAVG: 1126400 -24.7459 10.8843 -22.2976 10.8843 -29.6226 -17.2246 -22.2977 -17.2245 43.6871 GPRESSAVG: 1126400 -23.8613 11.887 -22.6866 11.4785 -29.9953 -13.041 -21.6593 -20.5003 42.8698 TIMING: 1126400 CPU: 3271.7, 0.00288695/step Wall: 3271.7, 0.00288695/step, 3.10636 hours remaining, 206.101562 MB of memory in use. ENERGY: 1126400 718.2850 2052.7110 1957.0604 113.4310 -205911.6026 17526.7254 0.0000 0.0000 34343.6998 -149199.6900 299.9321 -183543.3898 -149099.5576 299.2629 -235.0334 -205.5752 558054.2416 -3.5605 -3.6623 PRESSURE: 1126600 136.077 -141.277 -117.755 -141.276 6.68522 -79.8614 -117.754 -79.8602 127.584 GPRESSURE: 1126600 165.69 -202.164 -113.75 -146.821 33.4727 -10.8502 -57.766 -109.883 176.627 PRESSAVG: 1126600 15.8025 -91.2851 -5.69703 -91.2852 -34.2411 19.0278 -5.69695 19.0278 12.651 GPRESSAVG: 1126600 13.7558 -90.5817 -5.98645 -92.4111 -33.6977 16.6371 -6.42549 21.7909 13.9345 TIMING: 1126600 CPU: 3272.29, 0.00292624/step Wall: 3272.29, 0.00292624/step, 3.14847 hours remaining, 206.101562 MB of memory in use. ENERGY: 1126600 726.7435 2079.2125 1934.6201 112.1948 -206352.3478 17878.2799 0.0000 0.0000 34451.6263 -149169.6706 300.8746 -183621.2969 -149068.7577 298.6564 90.1155 125.2634 557168.9672 -1.9292 -2.0024 PRESSURE: 1126800 -317.205 8.10585 -114.525 8.10546 -41.2594 -18.75 -114.525 -18.7498 21.5305 GPRESSURE: 1126800 -310.198 -60.2945 -117.102 51.4712 -16.3768 -150.546 -43.1874 25.1979 82.6565 PRESSAVG: 1126800 -17.3689 -41.8303 4.35297 -41.8302 4.13082 -48.4872 4.35291 -48.4872 9.01346 GPRESSAVG: 1126800 -16.3792 -42.6724 6.94683 -41.648 3.83457 -50.2534 3.11282 -49.8623 8.0912 TIMING: 1126800 CPU: 3272.86, 0.00289562/step Wall: 3272.86, 0.00289562/step, 3.11536 hours remaining, 206.113281 MB of memory in use. ENERGY: 1126800 731.6204 2115.8168 1958.9299 104.6907 -205865.7876 17522.4914 0.0000 0.0000 34202.3442 -149229.8944 298.6976 -183432.2385 -149136.0263 299.5667 -112.3111 -81.3060 557918.2312 -1.4082 -1.4845 PRESSURE: 1127000 -253.226 -143.043 13.2827 -143.042 55.6261 -8.96224 13.2835 -8.96313 -182.249 GPRESSURE: 1127000 -199.233 -165.643 48.5022 -115.755 75.113 10.7988 -52.1539 8.663 -165.357 PRESSAVG: 1127000 -59.9111 -49.3986 5.57669 -49.3987 77.4765 -16.427 5.57671 -16.427 17.7705 GPRESSAVG: 1127000 -60.3332 -49.2851 5.14849 -50.2603 78.3992 -14.5237 7.62699 -15.459 17.3788 TIMING: 1127000 CPU: 3273.44, 0.00288844/step Wall: 3273.44, 0.00288844/step, 3.10748 hours remaining, 206.113281 MB of memory in use. ENERGY: 1127000 721.1062 2120.6051 1977.7077 120.6877 -205926.9787 17520.3540 0.0000 0.0000 34238.7100 -149227.8079 299.0152 -183466.5179 -149132.4314 299.4790 -126.6164 -96.4925 556837.2065 11.7787 11.8149 PRESSURE: 1127200 -82.0926 -25.7807 56.3034 -25.782 53.0303 -83.2112 56.3031 -83.2108 -171.283 GPRESSURE: 1127200 -44.0694 -26.4037 72.6079 -46.9179 70.9307 -164.99 35.9968 -53.1552 -137.619 PRESSAVG: 1127200 -44.6965 -15.4321 45.8871 -15.4322 78.2458 -7.90192 45.887 -7.90176 12.1987 GPRESSAVG: 1127200 -44.1857 -14.9195 46.2066 -14.3483 76.9795 -8.21664 44.951 -7.67735 12.5386 TIMING: 1127200 CPU: 3274.03, 0.00292319/step Wall: 3274.03, 0.00292319/step, 3.1447 hours remaining, 206.113281 MB of memory in use. ENERGY: 1127200 718.9524 2110.0922 1963.4184 117.2461 -206067.1579 17604.5019 0.0000 0.0000 34238.4417 -149314.5052 299.0128 -183552.9469 -149218.0262 299.7789 -66.7816 -36.9194 556625.5667 15.2494 15.1108 PRESSURE: 1127400 -5.11947 17.0733 59.2509 17.0734 107.233 58.2459 59.2507 58.2449 -97.6193 GPRESSURE: 1127400 51.6058 1.73871 118.423 -19.4714 102.342 35.4573 -33.6746 116.391 -47.4733 PRESSAVG: 1127400 -47.7974 -37.1905 41.4891 -37.1906 39.4164 -23.2773 41.489 -23.2774 10.4235 GPRESSAVG: 1127400 -47.6838 -36.9382 42.5281 -37.7752 40.2357 -22.5028 41.4385 -22.8486 9.3524 TIMING: 1127400 CPU: 3274.6, 0.00288463/step Wall: 3274.6, 0.00288463/step, 3.10306 hours remaining, 206.113281 MB of memory in use. ENERGY: 1127400 740.6114 2083.3438 1953.4275 111.1940 -206285.5423 17870.8474 0.0000 0.0000 34185.1570 -149340.9611 298.5475 -183526.1182 -149247.2969 298.8431 1.4982 35.4916 557448.4890 0.6808 0.6348 PRESSURE: 1127600 -55.1954 -84.0428 -50.8703 -84.0425 196.777 149.625 -50.8695 149.625 -22.5633 GPRESSURE: 1127600 -17.9986 -94.5861 -16.3951 -128.437 207.156 112.336 -166.458 183.469 32.9431 PRESSAVG: 1127600 65.1607 -55.2746 45.8801 -55.2746 8.67963 -2.11172 45.88 -2.11171 -52.6029 GPRESSAVG: 1127600 64.2002 -56.0405 46.1238 -53.6122 9.34616 -2.85123 44.2406 -3.15714 -51.9663 TIMING: 1127600 CPU: 3275.18, 0.00288185/step Wall: 3275.18, 0.00288185/step, 3.09991 hours remaining, 206.113281 MB of memory in use. ENERGY: 1127600 745.1098 2119.7824 1969.7752 108.8495 -206335.6209 17858.8141 0.0000 0.0000 34324.1005 -149209.1894 299.7609 -183533.2899 -149109.1182 299.0795 39.6726 74.0335 557471.4718 7.0791 7.1933 PRESSURE: 1127800 -310.659 -98.5859 -114.476 -98.5873 -148.374 62.0569 -114.476 62.0582 57.2535 GPRESSURE: 1127800 -260.374 -56.08 -62.8354 -105.889 -97.4844 53.8373 -68.2183 142.425 52.3033 PRESSAVG: 1127800 1.98777 -40.4227 38.6842 -40.4226 -2.8669 30.042 38.6842 30.0419 16.4624 GPRESSAVG: 1127800 2.48086 -39.4786 38.1916 -42.593 -3.6414 30.5393 39.0959 30.526 16.6704 TIMING: 1127800 CPU: 3275.76, 0.00289279/step Wall: 3275.76, 0.00289279/step, 3.11151 hours remaining, 206.113281 MB of memory in use. ENERGY: 1127800 746.2349 2091.5470 1958.5553 123.8357 -205771.7740 17565.5004 0.0000 0.0000 34211.8856 -149074.2152 298.7809 -183286.1008 -148981.9548 299.1440 -133.9267 -101.8516 558965.2485 5.1944 5.1700 PRESSURE: 1128000 49.9538 -177.714 62.2555 -177.714 -86.7851 66.5902 62.2554 66.5886 -5.08664 GPRESSURE: 1128000 167.405 -104.253 -83.429 -184.775 -84.1317 92.0459 64.9767 -12.9954 -30.3819 PRESSAVG: 1128000 75.8647 20.7274 -13.988 20.7274 -44.3692 1.92018 -13.9881 1.92029 -21.7894 GPRESSAVG: 1128000 76.4947 21.0825 -14.7068 19.9147 -44.5352 1.90372 -14.761 1.31798 -21.7659 TIMING: 1128000 CPU: 3276.33, 0.00287534/step Wall: 3276.33, 0.00287534/step, 3.09258 hours remaining, 206.113281 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: 1128000 743.9216 2032.2313 1965.3499 115.7179 -205901.8134 17706.3728 0.0000 0.0000 34160.6123 -149177.6077 298.3331 -183338.2200 -149073.9419 299.2313 -13.9726 17.6306 558583.0766 3.2354 3.3979 PRESSURE: 1128200 26.4439 69.5025 46.0052 69.5028 -11.6163 -18.7228 46.006 -18.722 164.149 GPRESSURE: 1128200 119.3 91.9295 107.445 27.4318 -1.02109 -55.2048 8.95561 -29.3883 164.773 PRESSAVG: 1128200 3.44307 -16.1087 -36.1033 -16.1087 -9.06224 -2.12494 -36.1033 -2.12494 2.86883 GPRESSAVG: 1128200 3.26648 -15.2695 -37.8623 -15.9422 -8.56651 -3.47675 -34.6359 -1.99452 3.20514 TIMING: 1128200 CPU: 3276.91, 0.00288744/step Wall: 3276.91, 0.00288744/step, 3.10544 hours remaining, 206.113281 MB of memory in use. ENERGY: 1128200 729.7942 2051.9215 1953.8687 122.6740 -206276.2295 17832.8730 0.0000 0.0000 34342.3831 -149242.7151 299.9206 -183585.0982 -149147.6971 299.0126 59.6588 94.3508 556397.3259 -0.9168 -0.6983 LDB: ============= START OF LOAD BALANCING ============== 3280.38 LDB: ============== END OF LOAD BALANCING =============== 3280.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3280.38 LDB: ============= START OF LOAD BALANCING ============== 3280.67 LDB: Largest compute 4826 load 0.026770 is 22.8% of average load 0.117604 LDB: Average compute 0.001744 is 1.5% of average load 0.117604 LDB: TIME 3280.67 LOAD: AVG 0.117604 MAX 0.176571 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.805 MB LDB: TIME 3280.67 LOAD: AVG 0.117604 MAX 0.176571 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.809 MB LDB: TIME 3280.67 LOAD: AVG 0.117604 MAX 0.176571 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.809 MB LDB: ============== END OF LOAD BALANCING =============== 3280.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3280.68 PRESSURE: 1128400 -205.913 -110.561 38.0206 -110.561 204.969 9.18452 38.0209 9.18369 17.7969 GPRESSURE: 1128400 -207.381 -21.2352 90.0869 -158.161 262.281 14.2793 -24.9967 12.795 60.5974 PRESSAVG: 1128400 -43.6788 42.2261 10.0888 42.226 30.5648 -26.0021 10.0888 -26.0021 6.5865 GPRESSAVG: 1128400 -45.1128 41.9041 13.3287 43.0483 31.6994 -26.2172 9.21137 -25.4846 7.30778 TIMING: 1128400 CPU: 3277.5, 0.00296497/step Wall: 3277.5, 0.00296497/step, 3.18866 hours remaining, 206.035156 MB of memory in use. ENERGY: 1128400 748.6867 2103.7200 1954.4235 104.4657 -206501.7653 17960.0070 0.0000 0.0000 34387.6087 -149242.8537 300.3155 -183630.4624 -149145.9047 299.1289 5.6176 38.4990 557941.2334 -2.1758 -2.0352 PRESSURE: 1128600 -407.049 -11.5446 116.726 -11.5452 -80.4833 35.6 116.726 35.601 -25.1857 GPRESSURE: 1128600 -319.824 30.8998 74.7287 -55.5734 -49.5357 -29.3265 99.3405 -52.3647 -38.4922 PRESSAVG: 1128600 -20.7157 -49.6198 9.96539 -49.6199 -15.5591 -34.4461 9.96546 -34.4461 12.945 GPRESSAVG: 1128600 -19.0813 -50.3487 9.49947 -48.4096 -16.4107 -35.7583 9.18844 -33.9612 12.516 TIMING: 1128600 CPU: 3278.08, 0.00289567/step Wall: 3278.08, 0.00289567/step, 3.11397 hours remaining, 206.238281 MB of memory in use. ENERGY: 1128600 745.3051 2076.4853 1957.7145 108.8469 -205896.6663 17494.7787 0.0000 0.0000 34240.2640 -149273.2717 299.0287 -183513.5357 -149174.0834 298.5432 -170.9059 -135.9506 558292.2066 -7.7766 -7.6587 PRESSURE: 1128800 -70.0486 141.192 -37.4598 141.193 166.426 -83.6025 -37.4609 -83.6025 -284.656 GPRESSURE: 1128800 -63.6116 175.375 -80.0088 157.417 216.152 -117.785 -44.3658 -78.4495 -247.746 PRESSAVG: 1128800 -9.92205 -1.56639 -2.10188 -1.56638 -5.30572 21.9255 -2.10196 21.9255 -18.7068 GPRESSAVG: 1128800 -9.54859 -2.52173 -3.41227 -3.21057 -6.09829 23.7035 -1.47035 22.1105 -18.0882 TIMING: 1128800 CPU: 3278.66, 0.00287736/step Wall: 3278.66, 0.00287736/step, 3.09412 hours remaining, 206.238281 MB of memory in use. ENERGY: 1128800 724.3821 2065.5726 1983.3338 100.1284 -205980.8373 17642.8011 0.0000 0.0000 34248.5935 -149216.0257 299.1015 -183464.6192 -149117.4084 298.7936 -62.7595 -31.7352 557808.5174 -11.3115 -11.2450 PRESSURE: 1129000 289.521 36.6607 65.5907 36.6615 -339.866 12.3289 65.5897 12.3303 52.7474 GPRESSURE: 1129000 276.428 10.161 1.2902 30.4833 -325.842 -60.4613 61.6483 87.5602 144.362 PRESSAVG: 1129000 84.1969 40.5612 32.8509 40.5613 -1.1035 35.8481 32.8509 35.8482 -36.6956 GPRESSAVG: 1129000 84.3859 41.0115 32.7162 41.8367 -1.50556 35.4271 33.0279 36.2113 -36.6518 TIMING: 1129000 CPU: 3279.23, 0.00287566/step Wall: 3279.23, 0.00287566/step, 3.09213 hours remaining, 206.238281 MB of memory in use. ENERGY: 1129000 771.5543 2118.5532 1942.4480 122.1752 -206367.9756 17955.8407 0.0000 0.0000 34450.7033 -149006.7009 300.8666 -183457.4042 -148917.9608 299.6974 0.8010 31.6494 557774.0254 15.4659 15.4095 PRESSURE: 1129200 -326.487 -6.46413 -222.788 -6.46387 -182.414 7.48494 -222.789 7.48732 22.3621 GPRESSURE: 1129200 -315.877 -51.612 -238.594 17.4355 -140.804 16.8774 -173.241 -10.7141 76.1344 PRESSAVG: 1129200 24.7113 0.0735959 -5.43857 0.0735613 -3.84064 -67.5323 -5.43851 -67.5322 -24.8722 GPRESSAVG: 1129200 24.0998 -1.38906 -6.40829 -0.813362 -3.32 -67.3956 -4.69487 -66.2206 -24.9254 TIMING: 1129200 CPU: 3279.81, 0.0028873/step Wall: 3279.81, 0.0028873/step, 3.10449 hours remaining, 206.238281 MB of memory in use. ENERGY: 1129200 778.6695 2148.0069 1944.0610 114.7928 -205902.3655 17451.0232 0.0000 0.0000 34355.5018 -149110.3104 300.0351 -183465.8123 -149007.8601 299.8627 -162.1797 -126.8490 557433.9746 -1.3338 -1.3819 PRESSURE: 1129400 194.553 -202.281 -61.2608 -202.279 -142.02 11.7363 -61.2609 11.7379 -325.563 GPRESSURE: 1129400 175.592 -221.69 -13.5664 -193.941 -115.763 7.63395 -43.4239 -74.7506 -246.068 PRESSAVG: 1129400 -50.5844 31.5406 -70.9341 31.5407 32.2306 -55.755 -70.934 -55.755 15.7364 GPRESSAVG: 1129400 -50.5771 31.9044 -69.1583 31.8943 33.1667 -55.047 -73.6972 -57.4337 14.9479 TIMING: 1129400 CPU: 3280.39, 0.00290359/step Wall: 3280.39, 0.00290359/step, 3.12184 hours remaining, 206.238281 MB of memory in use. ENERGY: 1129400 746.9868 2093.0817 1965.4146 127.4576 -205959.5928 17608.9653 0.0000 0.0000 34201.4733 -149216.2135 298.6900 -183417.6868 -149120.7890 298.9810 -91.0100 -62.0799 557507.7223 -0.8725 -0.8208 PRESSURE: 1129600 -87.9165 -117.563 -12.9194 -117.564 -28.459 224.515 -12.9185 224.515 -89.9115 GPRESSURE: 1129600 -83.2764 -98.5719 84.3168 -119.417 101.341 133.189 -96.3007 112.316 -117.132 PRESSAVG: 1129600 3.14616 -44.8374 -15.7952 -44.8375 29.0991 0.00926064 -15.7953 0.00935512 22.1428 GPRESSAVG: 1129600 2.53163 -44.0196 -14.529 -45.1569 29.4939 1.46964 -15.2268 0.169607 22.2174 TIMING: 1129600 CPU: 3280.97, 0.00291125/step Wall: 3280.97, 0.00291125/step, 3.12992 hours remaining, 206.441406 MB of memory in use. ENERGY: 1129600 721.8652 2124.5566 1976.2328 128.2689 -206230.9252 17661.4862 0.0000 0.0000 34389.9161 -149228.5994 300.3357 -183618.5155 -149131.4118 299.0351 -68.7624 -33.0225 556863.2914 18.1294 18.0810 PRESSURE: 1129800 -33.1548 49.2931 26.3482 49.2926 -222.815 -117.228 26.3477 -117.228 -90.5701 GPRESSURE: 1129800 44.4877 2.9491 14.9167 13.9369 -211.671 -25.8258 27.3971 -145.153 -88.5866 PRESSAVG: 1129800 -8.21186 0.142601 -29.6444 0.142579 -7.57213 15.4406 -29.6444 15.4406 -2.28086 GPRESSAVG: 1129800 -8.21424 -0.990826 -31.9702 0.124578 -8.59086 14.736 -26.5813 16.4994 -0.705978 TIMING: 1129800 CPU: 3281.56, 0.00290538/step Wall: 3281.56, 0.00290538/step, 3.12344 hours remaining, 206.441406 MB of memory in use. ENERGY: 1129800 716.1016 2146.2789 1970.1495 124.3485 -206015.8195 17532.7695 0.0000 0.0000 34429.7896 -149096.3818 300.6839 -183526.1715 -148991.7829 299.4805 -115.5133 -85.2566 556894.3715 -6.0216 -5.8370 PRESSURE: 1130000 22.6912 -72.7492 -100.906 -72.7497 -20.4539 -195.451 -100.905 -195.451 252.322 GPRESSURE: 1130000 66.445 -70.2999 -89.0053 -60.7232 -17.334 -161.528 -138.384 -301.077 309.387 PRESSAVG: 1130000 30.5287 -14.6593 -1.39919 -14.6593 -13.9287 -7.85253 -1.3992 -7.85264 94.3176 GPRESSAVG: 1130000 30.7408 -14.0526 -0.122743 -14.0888 -15.007 -7.79343 -1.34241 -9.45182 94.7218 TIMING: 1130000 CPU: 3282.14, 0.00292115/step Wall: 3282.14, 0.00292115/step, 3.14024 hours remaining, 206.441406 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: 1130000 749.2671 2055.3873 1950.8784 112.4882 -206125.3119 17867.6102 0.0000 0.0000 34408.0670 -148981.6137 300.4942 -183389.6807 -148889.3176 300.4056 84.8531 119.4995 556579.2147 36.9726 36.8185 PRESSURE: 1130200 -200.191 85.3124 43.8811 85.3117 -39.3799 -91.5662 43.8813 -91.5646 -108.166 GPRESSURE: 1130200 -141.364 41.0568 28.8435 128.79 -26.107 -154.63 86.1554 -94.9365 -77.4132 PRESSAVG: 1130200 6.25073 -22.7692 -15.0829 -22.7692 -11.4169 -19.9341 -15.0828 -19.9341 8.1604 GPRESSAVG: 1130200 6.85031 -22.0075 -16.0907 -22.857 -11.2845 -19.4704 -17.277 -19.2782 7.37162 TIMING: 1130200 CPU: 3282.72, 0.00289547/step Wall: 3282.72, 0.00289547/step, 3.11247 hours remaining, 206.441406 MB of memory in use. ENERGY: 1130200 770.3990 2049.1644 1978.8666 112.6455 -205966.8204 17685.1953 0.0000 0.0000 34514.0759 -148856.4735 301.4200 -183370.5494 -148754.8435 301.0254 -115.9122 -81.6280 555324.3897 0.9981 0.9791 PRESSURE: 1130400 202.062 -76.0158 -25.7929 -76.0162 178.373 -46.3232 -25.7924 -46.3228 313.62 GPRESSURE: 1130400 183.957 -8.38475 -26.5192 -78.8852 261.673 23.1428 -15.7111 -136.699 352.427 PRESSAVG: 1130400 -15.3857 6.29069 32.1688 6.29067 -39.6351 -72.0027 32.1688 -72.0025 7.60028 GPRESSAVG: 1130400 -16.1751 6.38157 32.6281 6.95689 -39.179 -70.9068 34.1465 -71.1562 7.39069 TIMING: 1130400 CPU: 3283.29, 0.00286961/step Wall: 3283.29, 0.00286961/step, 3.08451 hours remaining, 206.441406 MB of memory in use. ENERGY: 1130400 744.1824 2101.0197 1973.6077 118.9693 -206219.8135 18124.2794 0.0000 0.0000 34297.0625 -148860.6925 299.5248 -183157.7550 -148758.7397 300.4908 231.3515 266.0192 557209.7764 -15.8068 -15.9878 PRESSURE: 1130600 93.9238 -123.752 -46.6246 -123.754 -112.684 104.894 -46.6233 104.894 7.2607 GPRESSURE: 1130600 98.297 -17.1213 -60.0241 -221.51 -78.8311 101.971 17.3123 157.532 61.1117 PRESSAVG: 1130600 4.31526 -10.0979 2.49639 -10.098 -8.2943 61.5877 2.4963 61.5877 31.9942 GPRESSAVG: 1130600 4.96513 -12.9628 3.50114 -9.59336 -8.40846 60.832 1.97447 62.158 32.4233 TIMING: 1130600 CPU: 3283.87, 0.0028878/step Wall: 3283.87, 0.0028878/step, 3.1039 hours remaining, 206.585938 MB of memory in use. ENERGY: 1130600 754.4373 2106.7433 1962.6813 126.1232 -206237.3251 17900.1381 0.0000 0.0000 34588.1584 -148799.0433 302.0670 -183387.2018 -148709.6214 300.7721 -3.8333 26.8592 557256.4391 9.3384 9.6600 PRESSURE: 1130800 -124.965 -89.9948 107.472 -89.9952 -13.2744 4.82885 107.473 4.82943 -135.805 GPRESSURE: 1130800 -60.2664 -28.6694 139.403 -81.2585 58.0105 -45.1336 44.9849 37.8462 -176.236 PRESSAVG: 1130800 19.4574 -30.9996 9.5381 -30.9995 0.13079 -7.03281 9.53809 -7.033 -70.4261 GPRESSAVG: 1130800 19.8051 -28.5864 6.28583 -32.4906 -0.772094 -5.54843 10.0179 -7.57298 -69.6119 TIMING: 1130800 CPU: 3284.45, 0.00289079/step Wall: 3284.45, 0.00289079/step, 3.10696 hours remaining, 206.585938 MB of memory in use. ENERGY: 1130800 769.5971 2113.0866 1951.4108 115.7322 -205886.9164 17860.6546 0.0000 0.0000 34362.6407 -148713.7943 300.0975 -183076.4350 -148622.9287 301.4755 -91.3481 -59.4974 557300.8035 -16.9459 -16.8596 PRESSURE: 1131000 -65.2916 10.6242 -29.2443 10.624 151.022 -122.486 -29.2435 -122.486 222.693 GPRESSURE: 1131000 -63.504 36.5288 75.5922 7.75658 195.874 -212.114 -67.0188 -71.7537 274.682 PRESSAVG: 1131000 -24.7032 26.6708 19.6162 26.6708 -4.03177 -43.7892 19.6162 -43.7891 32.4896 GPRESSAVG: 1131000 -25.3145 25.5807 22.4666 27.3955 -1.922 -46.3705 17.8983 -42.98 30.5763 TIMING: 1131000 CPU: 3285.03, 0.0028969/step Wall: 3285.03, 0.0028969/step, 3.11337 hours remaining, 206.585938 MB of memory in use. ENERGY: 1131000 757.3099 2041.7554 1969.0241 115.5552 -205928.4963 17830.3880 0.0000 0.0000 34428.8305 -148785.6332 300.6755 -183214.4637 -148688.5553 301.1048 102.8079 135.6841 556065.3376 1.2515 1.1133 PRESSURE: 1131200 176.233 -97.5525 -202.068 -97.5519 -24.8023 86.1406 -202.069 86.1402 -116.947 GPRESSURE: 1131200 250.511 -150.954 -197.255 -59.8426 -10.09 129.92 -178.218 111.234 -106.709 PRESSAVG: 1131200 12.7814 36.099 -51.8222 36.099 -14.5495 -12.7901 -51.8222 -12.7901 -10.4469 GPRESSAVG: 1131200 13.3692 36.2027 -53.0362 36.6448 -16.0305 -11.1948 -50.2571 -12.7044 -9.89202 TIMING: 1131200 CPU: 3285.61, 0.00289712/step Wall: 3285.61, 0.00289712/step, 3.11343 hours remaining, 206.585938 MB of memory in use. ENERGY: 1131200 763.7197 2082.1843 1945.9152 104.8319 -205849.2123 17794.7160 0.0000 0.0000 34435.7601 -148722.0849 300.7361 -183157.8450 -148625.0889 300.5646 11.4944 44.5705 558358.5801 -4.0717 -4.1845 PRESSURE: 1131400 -93.188 -76.5461 210.339 -76.5459 -52.822 26.1295 210.34 26.1312 12.2636 GPRESSURE: 1131400 -124.565 -26.97 146.664 -79.8016 21.1617 -5.85973 209.812 96.4617 66.9847 PRESSAVG: 1131400 35.9131 -50.3931 -31.8317 -50.393 58.997 54.1995 -31.8316 54.1994 -93.5092 GPRESSAVG: 1131400 35.3583 -49.6333 -31.1431 -51.861 60.4066 52.6764 -32.5662 54.0714 -93.8885 TIMING: 1131400 CPU: 3286.19, 0.00290374/step Wall: 3286.19, 0.00290374/step, 3.1204 hours remaining, 206.585938 MB of memory in use. ENERGY: 1131400 734.8289 2088.7030 1957.8946 117.5085 -205925.8891 17772.3980 0.0000 0.0000 34430.0595 -148824.4966 300.6863 -183254.5561 -148725.8647 300.7515 -44.5821 -12.1394 556662.4045 0.4670 0.6255 PRESSURE: 1131600 -81.3205 37.0376 39.221 37.0366 -217.708 95.8359 39.2209 95.8358 317.613 GPRESSURE: 1131600 -13.9279 16.0037 63.913 83.9366 -208.249 152.749 -12.8944 80.9153 339.02 PRESSAVG: 1131600 12.7478 -5.85967 -24.8509 -5.85974 8.47675 40.2557 -24.8509 40.2556 24.8786 GPRESSAVG: 1131600 12.3683 -6.80889 -25.4113 -5.06013 8.20793 41.0575 -24.6455 40.3864 25.662 TIMING: 1131600 CPU: 3286.77, 0.0028958/step Wall: 3286.77, 0.0028958/step, 3.1117 hours remaining, 206.585938 MB of memory in use. ENERGY: 1131600 781.4087 2051.1775 1955.4726 113.2916 -205723.6064 17613.9976 0.0000 0.0000 34363.8442 -148844.4142 300.1080 -183208.2584 -148743.6449 300.3502 6.1947 38.9475 557025.9893 15.3677 15.4127 PRESSURE: 1131800 -306.295 44.6115 -142.33 44.6113 -67.653 12.7718 -142.33 12.7715 -99.7511 GPRESSURE: 1131800 -260.657 -24.4028 -116.122 23.3988 -62.1832 26.1869 -85.8708 -50.6852 -50.7635 PRESSAVG: 1131800 -38.9159 -8.85738 -45.5084 -8.85739 31.4158 -19.1699 -45.5084 -19.1701 40.2751 GPRESSAVG: 1131800 -38.5132 -8.76525 -42.9586 -8.42587 30.986 -19.313 -45.7416 -20.3802 40.6717 TIMING: 1131800 CPU: 3287.35, 0.00289507/step Wall: 3287.35, 0.00289507/step, 3.11075 hours remaining, 206.585938 MB of memory in use. ENERGY: 1131800 783.5539 2096.1497 1924.8386 119.2931 -205657.0645 17462.2811 0.0000 0.0000 34279.9125 -148991.0355 299.3750 -183270.9481 -148894.7212 300.5542 -157.8996 -124.5346 557311.1969 10.9250 11.0482 PRESSURE: 1132000 -54.0834 -50.2306 -197.571 -50.2308 -310.537 -78.7938 -197.571 -78.7937 -90.3559 GPRESSURE: 1132000 -32.2923 -8.87035 -167.778 -8.17903 -289.373 -94.7174 -254.568 -29.3631 -54.5563 PRESSAVG: 1132000 15.858 -31.8664 -55.0092 -31.8664 -1.53615 22.1805 -55.0093 22.1804 -36.3679 GPRESSAVG: 1132000 15.9039 -31.7441 -56.6983 -30.7073 -1.91921 20.4819 -54.5632 23.0672 -36.2054 TIMING: 1132000 CPU: 3287.93, 0.00290962/step Wall: 3287.93, 0.00290962/step, 3.12622 hours remaining, 206.585938 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: 1132000 758.6007 2084.1775 1989.7013 114.8422 -205902.6653 17495.8805 0.0000 0.0000 34211.1356 -149248.3274 298.7744 -183459.4630 -149155.7227 299.3345 -151.6588 -125.4072 556310.4966 -7.3487 -7.4069 PRESSURE: 1132200 -105.877 139.726 33.998 139.727 -132.369 -72.7057 33.9987 -72.705 -287.24 GPRESSURE: 1132200 -9.99922 111.77 54.5323 140.289 -80.1459 -68.121 85.7385 -100.773 -333.874 PRESSAVG: 1132200 68.7464 -9.50004 24.3038 -9.50012 -29.9261 43.0988 24.3038 43.0988 -0.26693 GPRESSAVG: 1132200 68.3542 -9.17825 23.772 -8.63202 -28.4064 44.6214 24.2547 42.7216 -0.820525 TIMING: 1132200 CPU: 3288.51, 0.0029162/step Wall: 3288.51, 0.0029162/step, 3.13313 hours remaining, 206.585938 MB of memory in use. ENERGY: 1132200 774.5250 2128.9963 1978.0316 120.0862 -206450.2957 17788.5163 0.0000 0.0000 34295.0520 -149365.0884 299.5072 -183660.1404 -149270.1333 299.4215 -175.1619 -141.3397 557195.2678 12.8511 13.0424 LDB: ============= START OF LOAD BALANCING ============== 3291.98 LDB: ============== END OF LOAD BALANCING =============== 3291.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3291.98 LDB: ============= START OF LOAD BALANCING ============== 3292.28 LDB: Largest compute 4826 load 0.027826 is 23.7% of average load 0.117642 LDB: Average compute 0.001740 is 1.5% of average load 0.117642 LDB: TIME 3292.28 LOAD: AVG 0.117642 MAX 0.178882 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.402 MB LDB: TIME 3292.28 LOAD: AVG 0.117642 MAX 0.178882 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: TIME 3292.28 LOAD: AVG 0.117642 MAX 0.178882 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3292.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3292.29 PRESSURE: 1132400 -18.9002 187.08 149.406 187.081 -258.055 28.872 149.405 28.8702 -179.997 GPRESSURE: 1132400 -16.4041 109.037 34.3445 106.439 -204.958 -2.41053 146.308 33.2386 -126.915 PRESSAVG: 1132400 -68.1723 10.6336 -0.628588 10.6336 31.288 -4.83307 -0.628639 -4.83295 14.6302 GPRESSAVG: 1132400 -68.3119 10.1272 -2.09405 8.51056 30.7717 -6.28339 -0.0485625 -4.07609 15.5896 TIMING: 1132400 CPU: 3289.11, 0.0030004/step Wall: 3289.11, 0.0030004/step, 3.22343 hours remaining, 204.425781 MB of memory in use. ENERGY: 1132400 750.7655 2107.4851 1934.1635 128.9797 -206298.5116 17754.5245 0.0000 0.0000 34068.4862 -149554.1071 297.5286 -183622.5933 -149460.5801 298.3930 -152.3175 -116.0922 559388.0781 -7.4180 -7.3169 PRESSURE: 1132600 -310.23 -7.69698 -7.64619 -7.6978 -255.533 -134.872 -7.647 -134.872 -286.734 GPRESSURE: 1132600 -278.043 127.745 53.0866 -39.3814 -256.657 -91.1417 -20.0976 -96.9078 -215.095 PRESSAVG: 1132600 15.2778 -9.98312 17.3313 -9.98306 -35.5369 -24.0817 17.3313 -24.0817 21.2858 GPRESSAVG: 1132600 14.9107 -7.55452 18.3015 -10.0741 -36.1097 -22.4444 18.2905 -25.4903 22.1002 TIMING: 1132600 CPU: 3289.71, 0.0029696/step Wall: 3289.71, 0.0029696/step, 3.19018 hours remaining, 204.425781 MB of memory in use. ENERGY: 1132600 737.3673 2120.5686 1964.9937 113.5617 -205980.1942 17430.8013 0.0000 0.0000 33989.0108 -149623.8907 296.8345 -183612.9014 -149533.2807 297.9067 -284.1656 -249.9318 556294.4695 0.3423 0.3004 PRESSURE: 1132800 96.9105 45.3717 1.66346 45.3715 30.2357 -100.92 1.66453 -100.921 -13.4176 GPRESSURE: 1132800 163.791 118.115 16.0565 59.5999 40.6276 -52.3495 35.9498 -41.0594 13.3579 PRESSAVG: 1132800 56.721 13.9109 18.0461 13.911 -70.0576 -24.1878 18.0462 -24.188 48.6732 GPRESSAVG: 1132800 56.8358 13.1193 19.8121 13.9633 -68.2071 -22.9334 15.6899 -23.6756 47.4139 TIMING: 1132800 CPU: 3290.29, 0.00294714/step Wall: 3290.29, 0.00294714/step, 3.16589 hours remaining, 204.425781 MB of memory in use. ENERGY: 1132800 733.3342 2069.3759 1940.8882 121.1129 -206865.7233 18017.6874 0.0000 0.0000 34328.1336 -149655.1911 299.7961 -183983.3247 -149571.8621 298.3798 37.9095 72.5922 557192.0326 11.7789 12.0142 PRESSURE: 1133000 60.866 -25.7509 -61.0533 -25.7519 -173.705 -103.698 -61.0537 -103.698 -192.409 GPRESSURE: 1133000 77.6804 -56.2261 -72.1917 44.9682 -128.207 -67.6627 -40.7849 -189.012 -156.936 PRESSAVG: 1133000 -33.1852 2.80172 52.324 2.80166 1.01834 -38.821 52.3241 -38.821 48.0878 GPRESSAVG: 1133000 -32.471 2.15077 50.0543 4.71789 0.556969 -40.5795 52.1976 -36.0593 48.2874 TIMING: 1133000 CPU: 3290.88, 0.00291645/step Wall: 3290.88, 0.00291645/step, 3.13275 hours remaining, 204.425781 MB of memory in use. ENERGY: 1133000 713.9796 2092.3767 1947.7256 129.2174 -206274.7403 17646.1482 0.0000 0.0000 34003.0302 -149742.2626 296.9569 -183745.2928 -149643.6288 298.2587 -101.7495 -69.1541 557668.8935 5.3070 5.4578 PRESSURE: 1133200 -86.2858 -39.2502 -258.928 -39.2496 -55.7593 -67.8737 -258.928 -67.873 -8.75392 GPRESSURE: 1133200 -50.258 -73.2576 -162.176 28.9294 -14.7506 -16.588 -235.278 44.4443 35.6981 PRESSAVG: 1133200 39.8359 15.1998 25.6205 15.1998 -9.6831 -47.5363 25.6206 -47.5362 -23.775 GPRESSAVG: 1133200 40.4208 16.2782 28.28 13.5323 -10.2713 -50.4808 24.009 -49.0636 -23.7747 TIMING: 1133200 CPU: 3291.46, 0.00289297/step Wall: 3291.46, 0.00289297/step, 3.10737 hours remaining, 204.425781 MB of memory in use. ENERGY: 1133200 741.5346 2045.7485 1976.9088 110.0893 -206716.3557 17802.6083 0.0000 0.0000 34238.4135 -149801.0527 299.0126 -184039.4662 -149705.0094 297.6133 -50.2663 -9.7702 557113.0423 2.1259 2.1250 PRESSURE: 1133400 -3.75029 -210.579 64.8056 -210.581 -49.8851 114.883 64.804 114.882 -253.916 GPRESSURE: 1133400 -22.5887 -171.849 49.5387 -275.411 6.76231 119.599 15.5198 -3.83408 -214.583 PRESSAVG: 1133400 -38.9318 1.37819 -26.3367 1.37815 2.93825 24.2699 -26.3367 24.2699 -17.3846 GPRESSAVG: 1133400 -39.9253 -0.0976038 -28.6111 2.37796 2.96521 28.9736 -24.4104 21.8063 -16.5916 TIMING: 1133400 CPU: 3292.03, 0.00289239/step Wall: 3292.03, 0.00289239/step, 3.10659 hours remaining, 204.425781 MB of memory in use. ENERGY: 1133400 755.5293 2076.8627 1964.6006 110.9858 -206316.3553 17739.7235 0.0000 0.0000 33980.9470 -149687.7062 296.7641 -183668.6532 -149598.0060 298.0109 -102.5170 -76.8031 557133.1959 -17.7927 -17.8506 PRESSURE: 1133600 -233.936 153.868 42.9881 153.869 -224.706 -112.678 42.9886 -112.679 -133.944 GPRESSURE: 1133600 -203.074 139.314 -17.2362 155.662 -158.994 -152.882 93.1421 -111.48 -136.826 PRESSAVG: 1133600 25.5191 -88.9251 -8.63092 -88.925 11.2011 4.9136 -8.63088 4.91367 57.8738 GPRESSAVG: 1133600 25.122 -88.1279 -8.82025 -90.6634 11.3399 4.40421 -7.93833 6.93359 57.7741 TIMING: 1133600 CPU: 3292.61, 0.00288779/step Wall: 3292.61, 0.00288779/step, 3.10149 hours remaining, 204.523438 MB of memory in use. ENERGY: 1133600 747.2467 2106.2908 1973.9238 107.7502 -206272.3631 17474.8187 0.0000 0.0000 34192.9895 -149669.3435 298.6159 -183862.3330 -149572.9047 297.4741 -197.5287 -166.2979 556099.6287 31.5313 31.4120 PRESSURE: 1133800 -64.5988 -84.5938 72.492 -84.5936 225.435 60.1886 72.4922 60.1888 137.789 GPRESSURE: 1133800 18.4399 -209.624 50.7556 -51.0738 251.75 -8.80454 37.2251 15.8425 141.099 PRESSAVG: 1133800 -1.63833 -50.0418 69.8477 -50.0418 19.8088 -51.6982 69.8476 -51.6982 -19.1013 GPRESSAVG: 1133800 -0.681398 -51.8314 70.6494 -49.3919 20.0795 -51.999 69.6686 -51.9316 -20.2647 TIMING: 1133800 CPU: 3293.19, 0.00288353/step Wall: 3293.19, 0.00288353/step, 3.09675 hours remaining, 204.523438 MB of memory in use. ENERGY: 1133800 780.9648 2074.2712 1974.1751 106.5572 -206633.9596 18149.4845 0.0000 0.0000 33900.3816 -149648.1254 296.0605 -183548.5070 -149552.1101 297.8040 99.5417 137.0965 556390.9232 -0.3103 -0.2889 PRESSURE: 1134000 -49.53 66.7581 -142.721 66.759 -85.9252 99.1546 -142.721 99.1549 -211.411 GPRESSURE: 1134000 -1.98022 149.523 -124.963 105.237 -116.726 60.1405 -124.296 133.183 -131.457 PRESSAVG: 1134000 4.83229 -51.2338 36.4329 -51.2338 41.3106 -9.93027 36.4329 -9.93018 -29.4993 GPRESSAVG: 1134000 4.91123 -49.3877 36.2953 -52.1342 40.7651 -12.2393 37.0101 -9.1668 -28.7765 TIMING: 1134000 CPU: 3293.77, 0.00290662/step Wall: 3293.77, 0.00290662/step, 3.12139 hours remaining, 204.726562 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: 1134000 721.7355 2096.2795 1987.3014 106.3685 -206548.4926 17730.9333 0.0000 0.0000 34258.7033 -149647.1710 299.1898 -183905.8743 -149545.1239 298.0621 -115.6219 -83.3877 556962.3015 5.5479 5.6333 PRESSURE: 1134200 -64.7564 91.1495 -31.7996 91.1503 -45.6132 115.866 -31.7985 115.868 -216.84 GPRESSURE: 1134200 -88.3569 98.588 -12.1082 30.9297 -24.7331 62.7175 -92.3174 162.356 -118.056 PRESSAVG: 1134200 2.05109 -0.703542 2.85894 -0.70352 16.5604 16.3195 2.85889 16.3196 -34.2645 GPRESSAVG: 1134200 2.35146 -0.387955 2.41731 1.88935 16.6216 18.7079 2.91671 16.543 -34.6539 TIMING: 1134200 CPU: 3294.35, 0.00288816/step Wall: 3294.35, 0.00288816/step, 3.1014 hours remaining, 204.726562 MB of memory in use. ENERGY: 1134200 736.3445 2131.5621 1973.8354 113.5222 -206084.9931 17577.5727 0.0000 0.0000 34096.7819 -149455.3742 297.7757 -183552.1561 -149352.7394 298.6297 -109.0699 -77.0485 558372.5721 -5.2177 -5.2270 PRESSURE: 1134400 -96.7511 25.6708 -139.35 25.6708 -70.8611 -6.64113 -139.35 -6.64143 -146.77 GPRESSURE: 1134400 -19.0744 -17.0836 -145.69 -13.3824 -44.3549 -93.6983 -150.276 17.8724 -163.099 PRESSAVG: 1134400 -1.11925 13.4407 -3.15265 13.4407 -11.4264 14.581 -3.15263 14.581 -20.6291 GPRESSAVG: 1134400 -0.850976 13.0822 -3.22779 12.1609 -11.6643 15.5373 -2.32385 13.6001 -20.8994 TIMING: 1134400 CPU: 3294.93, 0.0028975/step Wall: 3294.93, 0.0028975/step, 3.11127 hours remaining, 204.726562 MB of memory in use. ENERGY: 1134400 759.5240 2133.3770 1965.7580 110.4671 -206185.4621 17682.5960 0.0000 0.0000 34182.2069 -149351.5331 298.5217 -183533.7400 -149253.9920 298.9652 -104.7942 -75.5095 558338.6562 -11.0582 -11.1382 PRESSURE: 1134600 66.5551 65.4822 299.677 65.4836 33.6743 3.97802 299.676 3.98017 170.631 GPRESSURE: 1134600 106.373 64.3772 244.561 56.7057 74.5276 20.017 225.039 -68.7147 188.911 PRESSAVG: 1134600 -29.0455 16.2667 -33.9189 16.2666 61.2584 37.9139 -33.9188 37.9139 -9.49917 GPRESSAVG: 1134600 -29.7552 16.7147 -33.9298 13.9073 61.6126 35.6308 -33.1471 39.0228 -8.67929 TIMING: 1134600 CPU: 3295.51, 0.0029049/step Wall: 3295.51, 0.0029049/step, 3.11905 hours remaining, 204.726562 MB of memory in use. ENERGY: 1134600 752.7396 2143.8631 1955.2701 109.0875 -206300.8168 17832.7904 0.0000 0.0000 34051.6001 -149455.4659 297.3811 -183507.0660 -149360.5778 298.8714 90.2870 123.2702 556370.3243 7.5713 7.7260 PRESSURE: 1134800 197.201 22.1794 47.6757 22.1795 153.726 -21.3451 47.676 -21.3432 477.311 GPRESSURE: 1134800 175.079 -18.9416 70.6302 44.6056 159.251 -45.2419 48.1363 -6.66086 586.595 PRESSAVG: 1134800 -51.2037 28.3117 46.2538 28.3116 66.6171 30.4973 46.2538 30.4973 20.5042 GPRESSAVG: 1134800 -50.3716 27.7258 45.9178 31.0035 66.4261 31.121 45.5264 29.912 20.1377 TIMING: 1134800 CPU: 3296.09, 0.00289854/step Wall: 3296.09, 0.00289854/step, 3.11207 hours remaining, 204.726562 MB of memory in use. ENERGY: 1134800 746.1936 2069.0192 1964.2516 111.9302 -206704.6349 18060.2882 0.0000 0.0000 34227.1259 -149525.8262 298.9140 -183752.9521 -149436.1690 298.7234 276.0790 306.9749 555414.0650 11.9725 12.0641 PRESSURE: 1135000 -385.328 -83.8343 -104.836 -83.8351 -253.616 72.8794 -104.835 72.8804 48.5953 GPRESSURE: 1135000 -347.588 -95.0759 -80.5037 -63.0899 -211.923 152.844 -88.7224 23.9064 59.307 PRESSAVG: 1135000 -33.4572 -24.2551 40.2984 -24.2551 20.006 21.962 40.2984 21.962 -2.44646 GPRESSAVG: 1135000 -35.142 -22.6665 39.0516 -26.7904 22.0839 20.8076 39.4584 21.4042 -2.96879 TIMING: 1135000 CPU: 3296.67, 0.00289515/step Wall: 3296.67, 0.00289515/step, 3.10826 hours remaining, 204.726562 MB of memory in use. ENERGY: 1135000 741.6601 2093.0786 1960.0152 129.1968 -206426.4467 17588.4711 0.0000 0.0000 34227.4800 -149686.5449 298.9171 -183914.0250 -149587.9012 298.0126 -196.7828 -166.7347 556539.5731 -5.2992 -5.3423 PRESSURE: 1135200 -48.5479 57.9078 95.455 57.9078 -90.0496 105.019 95.4547 105.019 79.2854 GPRESSURE: 1135200 -18.3636 95.2421 -14.9707 59.4041 -10.4566 56.3921 131.504 123.497 58.3659 PRESSAVG: 1135200 -43.7773 -1.96173 49.0142 -1.96173 -1.0733 46.7965 49.0143 46.7965 42.5456 GPRESSAVG: 1135200 -42.419 -3.13104 50.2113 0.239131 -2.0115 46.7434 48.2125 49.6868 42.2782 TIMING: 1135200 CPU: 3297.24, 0.00288271/step Wall: 3297.24, 0.00288271/step, 3.09475 hours remaining, 204.726562 MB of memory in use. ENERGY: 1135200 761.0403 2094.0948 1950.2059 111.3272 -206587.9803 17918.1276 0.0000 0.0000 34279.5434 -149473.6410 299.3718 -183753.1844 -149371.7134 298.8149 -19.7707 9.8486 557457.0009 -0.7683 -0.7174 PRESSURE: 1135400 -58.9214 24.7709 -9.85723 24.7711 -18.9559 205.744 -9.85717 205.743 -223.818 GPRESSURE: 1135400 -43.0285 55.6193 -64.2052 17.9603 18.5055 189.754 19.1148 176.799 -178.487 PRESSAVG: 1135400 -42.1946 45.0405 3.78818 45.0405 -4.45813 94.6843 3.78818 94.6843 33.2003 GPRESSAVG: 1135400 -42.0942 45.9297 4.67558 42.622 -5.03201 95.2477 5.59194 92.7081 33.653 TIMING: 1135400 CPU: 3297.83, 0.0029093/step Wall: 3297.83, 0.0029093/step, 3.12314 hours remaining, 204.726562 MB of memory in use. ENERGY: 1135400 734.7679 2090.0136 1941.7889 110.5499 -206084.8768 17743.0097 0.0000 0.0000 34088.9413 -149375.8054 297.7072 -183464.7468 -149278.1486 298.4361 -100.5651 -67.6700 556959.0284 -4.4841 -4.4911 PRESSURE: 1135600 87.0783 -61.2351 -89.7163 -61.2363 130.443 60.8687 -89.7156 60.8679 220.322 GPRESSURE: 1135600 131.288 -56.5455 -154.694 -66.5256 169.667 80.8982 -35.5181 9.03073 228.497 PRESSAVG: 1135600 -51.5814 7.36717 19.4415 7.36717 75.2232 21.2748 19.4414 21.2749 21.597 GPRESSAVG: 1135600 -52.5147 5.01157 20.2933 8.88369 75.4315 22.1671 16.8524 21.2452 22.4786 TIMING: 1135600 CPU: 3298.41, 0.00290341/step Wall: 3298.41, 0.00290341/step, 3.11665 hours remaining, 204.726562 MB of memory in use. ENERGY: 1135600 737.4465 2054.1361 1943.9651 112.5450 -206268.9140 18031.8102 0.0000 0.0000 33893.4144 -149495.5968 295.9996 -183389.0112 -149395.0999 298.6229 145.9477 176.4840 557076.9480 15.0796 15.1318 PRESSURE: 1135800 105.87 6.09583 -97.2279 6.09596 84.3749 -86.5881 -97.2293 -86.5893 188.449 GPRESSURE: 1135800 111.226 59.4217 -69.5131 -11.7258 82.5397 -132.278 -46.7989 -132.106 276.915 PRESSAVG: 1135800 -2.15475 -2.95194 -17.5444 -2.95193 -17.2751 -28.2291 -17.5445 -28.2292 39.1907 GPRESSAVG: 1135800 -1.3969 -2.52881 -20.3668 -0.93947 -17.5603 -27.1011 -14.6513 -29.7319 38.8514 TIMING: 1135800 CPU: 3298.99, 0.00290485/step Wall: 3298.99, 0.00290485/step, 3.11803 hours remaining, 204.726562 MB of memory in use. ENERGY: 1135800 742.0488 2123.4989 1971.2844 102.1122 -206822.2087 18138.0733 0.0000 0.0000 34381.3882 -149363.8028 300.2612 -183745.1910 -149265.6782 298.8598 126.2316 156.8935 557280.9309 6.5869 6.6314 PRESSURE: 1136000 -21.306 -128.844 -20.6172 -128.844 75.418 -17.9105 -20.615 -17.9093 -130.672 GPRESSURE: 1136000 -35.486 -76.6526 74.6244 -198.066 158.393 -22.7459 -102.952 -56.8451 -81.4381 PRESSAVG: 1136000 -8.26281 13.2723 -3.17836 13.2723 40.9024 -11.2787 -3.17831 -11.2787 2.35269 GPRESSAVG: 1136000 -9.07309 13.5516 0.0080776 10.9498 42.9327 -12.1329 -3.04053 -11.3387 1.15368 TIMING: 1136000 CPU: 3299.58, 0.00294787/step Wall: 3299.58, 0.00294787/step, 3.16405 hours remaining, 204.726562 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: 1136000 737.2346 2104.5141 1962.2325 99.2843 -206448.7091 17875.6435 0.0000 0.0000 34179.1142 -149490.6860 298.4947 -183669.8002 -149390.8565 298.8258 -25.5199 13.8230 556946.3013 11.6641 11.6711 PRESSURE: 1136200 17.1587 99.198 70.2963 99.1986 27.9555 -8.70777 70.2956 -8.70867 227.254 GPRESSURE: 1136200 117.915 38.8769 32.9902 94.0843 49.122 -62.6747 80.4003 -41.1305 201.55 PRESSAVG: 1136200 8.58488 5.30649 -22.8475 5.30651 15.4515 -22.7424 -22.8475 -22.7425 -13.9408 GPRESSAVG: 1136200 8.26362 5.86954 -24.6447 7.27363 15.0403 -23.8383 -24.5713 -20.0671 -13.7814 TIMING: 1136200 CPU: 3300.16, 0.00290444/step Wall: 3300.16, 0.00290444/step, 3.11727 hours remaining, 204.726562 MB of memory in use. ENERGY: 1136200 766.7367 2077.1678 1959.0890 105.0818 -206509.2593 18000.9704 0.0000 0.0000 34064.1023 -149536.1112 297.4903 -183600.2136 -149443.5847 299.0644 90.7894 122.8624 557768.9759 3.3652 3.1742 LDB: ============= START OF LOAD BALANCING ============== 3303.62 LDB: ============== END OF LOAD BALANCING =============== 3303.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3303.63 LDB: ============= START OF LOAD BALANCING ============== 3303.92 LDB: Largest compute 4826 load 0.027663 is 23.5% of average load 0.117646 LDB: Average compute 0.001744 is 1.5% of average load 0.117646 LDB: TIME 3303.92 LOAD: AVG 0.117646 MAX 0.17722 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 3303.92 LOAD: AVG 0.117646 MAX 0.17722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.098 MB LDB: TIME 3303.92 LOAD: AVG 0.117646 MAX 0.17722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3303.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3303.92 PRESSURE: 1136400 41.4284 -54.997 77.5787 -54.9972 -60.098 -135.47 77.5791 -135.471 33.6804 GPRESSURE: 1136400 48.074 -15.0992 27.7322 -120.89 -64.0486 -82.1169 147.856 -192.631 117.344 PRESSAVG: 1136400 28.6105 1.48492 -8.67258 1.48482 -37.2875 11.2039 -8.67255 11.204 -25.7199 GPRESSAVG: 1136400 30.3195 1.83282 -8.8383 -0.597801 -40.2231 10.802 -8.80345 10.6523 -25.0557 TIMING: 1136400 CPU: 3300.75, 0.00295794/step Wall: 3300.75, 0.00295794/step, 3.17453 hours remaining, 204.492188 MB of memory in use. ENERGY: 1136400 745.7425 2114.9719 1963.2379 113.7053 -206476.4534 18004.5465 0.0000 0.0000 34002.2719 -149531.9774 296.9503 -183534.2493 -149429.1717 298.3719 5.0036 33.7896 557197.6758 -11.4656 -11.6531 PRESSURE: 1136600 -72.1661 -171.017 107.353 -171.017 167.914 -68.8822 107.353 -68.8822 -104.176 GPRESSURE: 1136600 -77.455 -171.73 66.3376 -203.95 198.52 10.3787 45.2188 -142.724 -38.2133 PRESSAVG: 1136600 20.0179 -90.6243 -32.1645 -90.6243 -16.9795 52.276 -32.1646 52.2761 28.3996 GPRESSAVG: 1136600 19.0722 -90.9975 -31.7393 -89.6933 -15.7807 54.0386 -31.7902 50.2789 28.1634 TIMING: 1136600 CPU: 3301.33, 0.00289475/step Wall: 3301.33, 0.00289475/step, 3.10655 hours remaining, 204.691406 MB of memory in use. ENERGY: 1136600 717.1697 2105.8972 1941.2650 120.1598 -206319.8780 18009.1183 0.0000 0.0000 33980.8534 -149445.4146 296.7632 -183426.2680 -149341.1057 298.8392 -2.8094 27.6173 557751.8220 10.4793 10.4850 PRESSURE: 1136800 -60.5025 -207.603 -16.374 -207.603 -40.0214 -33.2963 -16.3737 -33.2967 -136.271 GPRESSURE: 1136800 -16.9577 -234.77 19.313 -201.854 26.7839 21.2819 31.9198 -104.525 -154.145 PRESSAVG: 1136800 40.703 -46.3593 0.556971 -46.3592 -55.3598 -8.29502 0.556959 -8.29499 -0.0822794 GPRESSAVG: 1136800 41.164 -45.8795 1.85511 -46.8574 -54.2256 -9.61181 0.0616413 -6.33467 -1.58202 TIMING: 1136800 CPU: 3301.91, 0.00289224/step Wall: 3301.91, 0.00289224/step, 3.1037 hours remaining, 204.753906 MB of memory in use. ENERGY: 1136800 743.6613 2085.5391 1936.3040 112.3209 -206426.4612 17944.0517 0.0000 0.0000 34193.7882 -149410.7961 298.6229 -183604.5843 -149313.1399 297.9687 -78.9317 -48.1063 557727.3985 -4.9130 -4.8812 PRESSURE: 1137000 -105.846 -30.3521 -102.237 -30.3521 -64.3788 52.397 -102.236 52.3953 162.371 GPRESSURE: 1137000 -55.7597 -21.5241 -106.994 -56.0481 26.5107 128.231 -8.90777 -55.68 127.298 PRESSAVG: 1137000 62.8274 -4.70937 34.8637 -4.70932 -32.7428 3.09332 34.8637 3.09332 -37.9821 GPRESSAVG: 1137000 63.2468 -4.35702 35.5781 -3.81346 -33.9388 3.91813 34.9207 1.93831 -37.2072 TIMING: 1137000 CPU: 3302.49, 0.00290564/step Wall: 3302.49, 0.00290564/step, 3.11792 hours remaining, 204.886719 MB of memory in use. ENERGY: 1137000 707.4328 2050.3074 1948.3698 104.1027 -205904.1553 17695.0276 0.0000 0.0000 34067.7622 -149331.1528 297.5222 -183398.9150 -149231.3036 298.3076 -2.6178 32.6830 558001.0158 -2.6325 -2.6331 PRESSURE: 1137200 260.998 161.933 -28.6525 161.934 18.2729 -43.224 -28.652 -43.2236 216.215 GPRESSURE: 1137200 305.121 172.296 -101.978 123.265 26.7369 11.6411 -0.551013 -67.7066 259.193 PRESSAVG: 1137200 16.509 8.6585 -53.9098 8.65856 -83.3042 -20.3026 -53.9098 -20.3027 56.0662 GPRESSAVG: 1137200 16.0457 8.52884 -56.8706 9.4712 -83.6539 -20.5665 -53.8052 -20.5713 56.5639 TIMING: 1137200 CPU: 3303.07, 0.00291807/step Wall: 3303.07, 0.00291807/step, 3.13108 hours remaining, 204.886719 MB of memory in use. ENERGY: 1137200 711.9311 2109.4012 1949.5562 110.9968 -206018.0776 17950.9118 0.0000 0.0000 34208.8521 -148976.4284 298.7544 -183185.2805 -148878.8346 299.0250 165.1619 197.0168 557404.4585 -3.5763 -3.6814 PRESSURE: 1137400 -94.8758 3.13749 -60.7348 3.13723 126.498 -77.4294 -60.7352 -77.4284 90.4635 GPRESSURE: 1137400 -0.127787 -42.9115 -102.833 112.102 118.583 -14.5936 -25.1078 -54.5696 99.874 PRESSAVG: 1137400 -10.2308 -49.9417 -34.9542 -49.9417 -64.1879 -77.3665 -34.9542 -77.3665 61.5882 GPRESSAVG: 1137400 -10.2085 -49.0961 -35.9461 -52.1221 -63.6088 -77.2164 -32.4735 -75.6982 60.7933 TIMING: 1137400 CPU: 3303.65, 0.0029024/step Wall: 3303.65, 0.0029024/step, 3.11412 hours remaining, 204.886719 MB of memory in use. ENERGY: 1137400 751.8324 2048.2503 1938.7910 98.2929 -205971.5392 17991.0754 0.0000 0.0000 34298.0889 -148845.2084 299.5337 -183143.2973 -148745.9383 300.1102 40.6954 72.7762 558924.1208 -4.2768 -4.3413 PRESSURE: 1137600 -0.168141 -4.22255 65.8826 -4.22344 235.672 146.633 65.8835 146.634 4.90215 GPRESSURE: 1137600 71.1435 -60.1734 59.738 54.7968 211.428 112.64 23.7618 150.348 57.0341 PRESSAVG: 1137600 29.3386 -17.9318 -21.6398 -17.9317 -7.70655 52.4659 -21.6398 52.4659 -20.26 GPRESSAVG: 1137600 28.8342 -18.9785 -18.9458 -16.4923 -8.2947 51.0618 -24.0501 53.2799 -19.12 TIMING: 1137600 CPU: 3304.23, 0.00290367/step Wall: 3304.23, 0.00290367/step, 3.11532 hours remaining, 204.886719 MB of memory in use. ENERGY: 1137600 768.6099 2058.0583 1950.9383 117.0896 -206180.5149 17966.1749 0.0000 0.0000 34333.7659 -148985.8781 299.8453 -183319.6440 -148898.6507 299.7823 80.1355 113.2017 557125.4087 0.4573 0.4732 PRESSURE: 1137800 2.07787 20.4615 -9.17503 20.4621 306.399 140.785 -9.17579 140.786 127.993 GPRESSURE: 1137800 69.9835 173.148 -45.3029 -35.6574 319.896 125.626 32.297 65.6517 151.586 PRESSAVG: 1137800 -0.37032 5.40971 -50.4071 5.4096 18.9337 21.8295 -50.407 21.8296 17.8732 GPRESSAVG: 1137800 0.724796 6.74365 -48.8984 2.96749 19.1507 23.2439 -49.7191 20.9647 16.8293 TIMING: 1137800 CPU: 3304.82, 0.00291956/step Wall: 3304.82, 0.00291957/step, 3.13221 hours remaining, 204.886719 MB of memory in use. ENERGY: 1137800 734.3510 2132.0953 1954.9070 112.6448 -206274.3977 17974.4970 0.0000 0.0000 34356.2607 -149009.6420 300.0418 -183365.9027 -148918.6393 299.6406 145.4897 180.4884 557512.3059 12.1455 12.2349 PRESSURE: 1138000 -85.464 87.5031 43.4526 87.5029 -19.7023 -95.0693 43.4528 -95.0699 81.57 GPRESSURE: 1138000 -62.4634 65.6051 99.4972 21.5484 -16.7886 -24.4329 43.3149 -103.249 154.161 PRESSAVG: 1138000 -55.7472 48.9472 10.5277 48.9471 51.8604 32.4352 10.5277 32.4351 -32.7648 GPRESSAVG: 1138000 -55.2917 48.0293 7.7665 50.8603 51.1214 33.2521 10.7284 30.8885 -32.1686 TIMING: 1138000 CPU: 3305.4, 0.00290906/step Wall: 3305.4, 0.00290906/step, 3.12078 hours remaining, 204.886719 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: 1138000 715.8018 2060.2802 1966.3007 127.0770 -206202.2929 17822.7082 0.0000 0.0000 34471.2313 -149038.8937 301.0458 -183510.1251 -148934.2474 300.4075 -7.8654 24.9695 556673.3423 -12.2172 -12.1130 PRESSURE: 1138200 25.5036 5.05478 195.648 5.05542 38.9847 192.33 195.647 192.331 328.016 GPRESSURE: 1138200 42.9899 24.4318 157.081 -58.7158 143.967 137.86 137.528 137.217 308.443 PRESSAVG: 1138200 -0.127049 25.8302 30.5767 25.8303 -5.59285 5.43669 30.5767 5.43666 22.1439 GPRESSAVG: 1138200 -1.07513 26.9471 31.5426 25.7014 -3.91757 5.82194 31.8528 6.8859 22.2157 TIMING: 1138200 CPU: 3305.98, 0.00290343/step Wall: 3305.98, 0.00290343/step, 3.11458 hours remaining, 204.886719 MB of memory in use. ENERGY: 1138200 762.0403 2087.3034 1966.8849 113.3089 -206588.6742 18252.7940 0.0000 0.0000 34223.6913 -149182.6514 298.8840 -183406.3427 -149091.9742 300.3305 130.8346 165.1334 557041.8380 5.4747 5.7410 PRESSURE: 1138400 -147.043 -17.3163 69.7135 -17.3146 -420.692 -76.8064 69.7124 -76.8077 -219.888 GPRESSURE: 1138400 -169.935 -55.0776 68.1543 87.5175 -301.44 -56.2635 76.9972 -104.273 -211.93 PRESSAVG: 1138400 -38.1801 44.3626 -5.11719 44.3626 4.71392 38.3155 -5.11725 38.3157 17.913 GPRESSAVG: 1138400 -37.9016 43.2426 -6.85209 44.0084 4.9566 36.7646 -4.99507 37.6737 17.2932 TIMING: 1138400 CPU: 3306.56, 0.00290135/step Wall: 3306.56, 0.00290135/step, 3.11218 hours remaining, 204.886719 MB of memory in use. ENERGY: 1138400 750.0911 2134.6817 1974.3318 117.2269 -205569.3032 17295.0060 0.0000 0.0000 34268.8575 -149029.1082 299.2785 -183297.9657 -148941.9990 299.5731 -262.5410 -227.7685 559457.5097 -5.1844 -5.2173 PRESSURE: 1138600 -98.5618 -105.081 164.443 -105.08 -331.033 -61.0538 164.443 -61.0516 144.546 GPRESSURE: 1138600 -49.83 -4.20119 206.228 -124.27 -288.689 57.1191 141.306 -28.7511 163.42 PRESSAVG: 1138600 36.2234 29.5785 12.4121 29.5785 -35.9647 -19.8758 12.4121 -19.8758 -6.0607 GPRESSAVG: 1138600 35.7715 32.1101 14.9165 28.7056 -35.5549 -20.3342 10.6797 -19.1547 -6.03093 TIMING: 1138600 CPU: 3307.14, 0.00289105/step Wall: 3307.14, 0.00289105/step, 3.10098 hours remaining, 204.886719 MB of memory in use. ENERGY: 1138600 746.0611 2062.4808 1994.2439 119.6703 -205958.4685 17662.7573 0.0000 0.0000 34281.2583 -149091.9969 299.3868 -183373.2551 -148991.8168 300.0515 -95.0163 -58.3662 558215.1909 -1.9340 -1.9381 PRESSURE: 1138800 -5.50041 160.815 -79.9728 160.816 -43.0665 -106.752 -79.9743 -106.753 86.5933 GPRESSURE: 1138800 25.265 35.4763 -110.145 131.041 -1.09649 -1.54086 -81.8888 -162.76 108.256 PRESSAVG: 1138800 52.7213 3.64666 0.933712 3.64668 1.25889 5.9426 0.933709 5.94259 -56.7212 GPRESSAVG: 1138800 52.5034 1.86758 -0.551539 3.87551 1.81582 6.86536 0.539798 4.65844 -56.8157 TIMING: 1138800 CPU: 3307.72, 0.00290512/step Wall: 3307.72, 0.00290512/step, 3.11591 hours remaining, 204.886719 MB of memory in use. ENERGY: 1138800 735.6627 2064.6247 1935.0274 116.2108 -206232.5737 17834.8040 0.0000 0.0000 34472.7734 -149073.4707 301.0593 -183546.2441 -148975.9872 300.1261 12.6754 44.1414 558147.6347 -0.9137 -0.8322 PRESSURE: 1139000 -73.8461 98.9605 42.8327 98.9606 -14.4709 -35.1428 42.8331 -35.1448 -99.5364 GPRESSURE: 1139000 32.9175 156.416 3.10812 70.3524 4.73258 -8.30989 -3.06552 -46.61 -124.088 PRESSAVG: 1139000 21.7644 45.1164 -1.29639 45.1164 63.5864 -55.4923 -1.29646 -55.4924 -39.8407 GPRESSAVG: 1139000 23.6808 44.9712 -2.22437 44.5018 61.5414 -56.8396 0.297695 -52.7824 -40.0405 TIMING: 1139000 CPU: 3308.3, 0.00288759/step Wall: 3308.3, 0.00288759/step, 3.09694 hours remaining, 204.886719 MB of memory in use. ENERGY: 1139000 768.6438 2050.2392 1925.4830 111.5337 -205997.2626 17774.2225 0.0000 0.0000 34231.6192 -149135.5212 298.9532 -183367.1404 -149030.5188 299.6293 -62.6178 -28.8126 556816.2687 15.1700 15.0606 PRESSURE: 1139200 146.88 43.3437 -4.64386 43.3449 8.10363 17.245 -4.64344 17.2446 32.5109 GPRESSURE: 1139200 208.496 6.09881 28.3286 -9.16299 47.083 -63.6279 51.2464 40.1096 29.0126 PRESSAVG: 1139200 101.414 41.035 29.2475 41.0351 -20.7737 34.6765 29.2476 34.6767 -110.059 GPRESSAVG: 1139200 101.24 40.5082 29.2009 40.79 -21.1686 33.7521 28.1673 34.4537 -110.187 TIMING: 1139200 CPU: 3308.88, 0.00289614/step Wall: 3308.88, 0.00289614/step, 3.10595 hours remaining, 204.886719 MB of memory in use. ENERGY: 1139200 755.1798 2116.1493 1930.1027 105.4625 -206342.6965 17978.3396 0.0000 0.0000 34401.4549 -149056.0078 300.4365 -183457.4627 -148957.3765 299.9452 62.4982 94.8637 558478.1288 -9.8061 -10.0386 PRESSURE: 1139400 -127.308 -5.14657 37.2613 -5.14631 -147.281 264.005 37.2617 264.005 -152.418 GPRESSURE: 1139400 -104.329 -43.8798 -25.6156 -35.506 -56.0061 245.091 59.7078 206.347 -169.854 PRESSAVG: 1139400 42.1697 -24.0696 -49.8615 -24.0696 -48.5699 7.21324 -49.8615 7.21317 -10.0097 GPRESSAVG: 1139400 40.6084 -23.7377 -49.4727 -21.6054 -46.9403 9.84009 -48.7023 3.89825 -10.429 TIMING: 1139400 CPU: 3309.46, 0.00291888/step Wall: 3309.46, 0.00291888/step, 3.13017 hours remaining, 204.886719 MB of memory in use. ENERGY: 1139400 739.6627 2070.5023 1967.5810 112.2542 -205787.2904 17472.3255 0.0000 0.0000 34383.2598 -149041.7049 300.2776 -183424.9648 -148950.0732 299.8687 -142.3357 -110.0631 558072.5520 -5.4699 -5.5869 PRESSURE: 1139600 -117.604 -101.707 -109.356 -101.707 49.5706 -84.2305 -109.357 -84.2292 -86.8953 GPRESSURE: 1139600 -79.9806 -109.095 -61.1436 -65.496 78.091 -83.7205 -173.752 -172.645 -59.556 PRESSAVG: 1139600 -1.94642 -33.6435 11.5539 -33.6436 0.166982 8.64336 11.5539 8.64333 -40.0687 GPRESSAVG: 1139600 -2.14212 -34.1211 13.3323 -34.4823 -0.816495 8.13105 11.1686 10.7166 -39.9585 TIMING: 1139600 CPU: 3310.04, 0.00290035/step Wall: 3310.04, 0.00290035/step, 3.11014 hours remaining, 204.886719 MB of memory in use. ENERGY: 1139600 699.0175 2136.7914 1932.9742 108.0044 -205809.1595 17541.2677 0.0000 0.0000 34243.5975 -149147.5069 299.0579 -183391.1043 -149051.3812 299.4327 -51.6429 -20.4819 556509.8217 -13.9494 -14.3057 PRESSURE: 1139800 312.089 -65.9795 -58.1007 -65.9792 -157.773 25.2413 -58.1015 25.2425 218.241 GPRESSURE: 1139800 301.619 -56.0443 -21.5371 -98.3707 -102.962 44.0423 -126.702 71.3978 278.663 PRESSAVG: 1139800 92.2553 32.5702 -52.1098 32.5703 -46.5794 -5.70432 -52.1098 -5.70451 -6.21422 GPRESSAVG: 1139800 91.884 34.3538 -53.0503 32.4322 -45.7235 -7.04373 -52.8804 -4.78805 -6.32999 TIMING: 1139800 CPU: 3310.62, 0.00289474/step Wall: 3310.62, 0.00289474/step, 3.10396 hours remaining, 204.886719 MB of memory in use. ENERGY: 1139800 720.8707 2077.4881 1960.3472 112.2678 -206129.6762 17788.7999 0.0000 0.0000 34401.9814 -149067.9210 300.4411 -183469.9025 -148972.7897 299.8296 124.1857 159.1067 554390.0676 13.1539 13.2768 PRESSURE: 1140000 -83.6818 -1.2241 135.455 -1.22412 30.2693 -304.178 135.453 -304.176 -179.021 GPRESSURE: 1140000 -56.2605 -100.126 155.745 4.94456 40.6797 -297.551 157.744 -228.765 -137.826 PRESSAVG: 1140000 82.2798 -8.85184 -23.0803 -8.85179 -5.99425 -33.717 -23.0803 -33.7171 -95.8706 GPRESSAVG: 1140000 82.589 -11.8874 -22.5949 -6.95444 -6.64916 -34.0429 -23.0901 -34.4098 -95.286 TIMING: 1140000 CPU: 3311.2, 0.00289688/step Wall: 3311.2, 0.00289688/step, 3.1061 hours remaining, 204.886719 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: 1140000 713.7199 2056.4618 1942.5149 108.4647 -205951.7305 17515.0433 0.0000 0.0000 34336.2094 -149279.3165 299.8667 -183615.5259 -149190.6558 299.3089 -77.4779 -51.1356 555972.0035 -6.5284 -6.4487 PRESSURE: 1140200 -116.363 67.9229 -96.8217 67.924 35.2344 26.3012 -96.8212 26.3029 -291.41 GPRESSURE: 1140200 -87.0461 49.8784 -199.922 20.501 84.0958 25.0572 -72.2422 87.663 -280.371 PRESSAVG: 1140200 41.1347 9.7832 1.46454 9.78318 -1.72051 -76.1161 1.46448 -76.1162 -39.0807 GPRESSAVG: 1140200 40.8639 11.4085 -1.87406 9.07766 -1.47224 -76.1685 1.67835 -74.7043 -39.248 TIMING: 1140200 CPU: 3311.78, 0.00288957/step Wall: 3311.78, 0.00288957/step, 3.0981 hours remaining, 204.886719 MB of memory in use. ENERGY: 1140200 747.5138 2085.5515 1950.2048 106.6539 -205436.3998 17483.2859 0.0000 0.0000 34040.2268 -149022.9630 297.2818 -183063.1898 -148917.1136 299.2453 -124.1796 -94.4404 557715.1891 0.1112 0.0479 LDB: ============= START OF LOAD BALANCING ============== 3315.24 LDB: ============== END OF LOAD BALANCING =============== 3315.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3315.24 LDB: ============= START OF LOAD BALANCING ============== 3315.53 LDB: Largest compute 4855 load 0.028066 is 23.9% of average load 0.117618 LDB: Average compute 0.001742 is 1.5% of average load 0.117618 LDB: TIME 3315.53 LOAD: AVG 0.117618 MAX 0.177319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 3315.53 LOAD: AVG 0.117618 MAX 0.177319 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 3315.53 LOAD: AVG 0.117618 MAX 0.177319 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3315.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3315.54 PRESSURE: 1140400 234.078 2.56906 172.302 2.56971 43.9447 -125.867 172.304 -125.865 276.959 GPRESSURE: 1140400 270.578 -25.0566 149.543 17.4105 69.9044 -77.1337 180.142 -189.196 300.128 PRESSAVG: 1140400 86.4757 -27.111 -17.2609 -27.111 56.767 -52.4076 -17.2609 -52.4076 -118.099 GPRESSAVG: 1140400 85.2741 -28.2469 -16.3141 -29.4548 58.2307 -51.4834 -19.524 -54.0113 -118.28 TIMING: 1140400 CPU: 3312.36, 0.00293896/step Wall: 3312.36, 0.00293896/step, 3.15089 hours remaining, 207.125000 MB of memory in use. ENERGY: 1140400 767.6178 2065.3150 1965.9225 135.2632 -206393.7115 18040.3885 0.0000 0.0000 34318.8895 -149100.3149 299.7154 -183419.2045 -149008.5629 299.5686 184.9938 213.5370 556288.4835 8.3814 8.4083 PRESSURE: 1140600 6.52016 -67.3331 -102.168 -67.3336 199.453 40.1543 -102.168 40.1565 -132.691 GPRESSURE: 1140600 19.8627 -34.7506 -124.331 -80.4867 241.361 121.965 -9.62029 -5.7033 -84.7961 PRESSAVG: 1140600 21.0949 25.4014 1.22131 25.4015 -45.2033 2.74175 1.22122 2.74175 21.0517 GPRESSAVG: 1140600 23.9434 25.8887 1.71015 26.5216 -47.1052 2.76291 3.93918 3.97198 20.7904 TIMING: 1140600 CPU: 3312.94, 0.0028866/step Wall: 3312.94, 0.00288659/step, 3.09459 hours remaining, 207.125000 MB of memory in use. ENERGY: 1140600 715.1302 2112.4818 1938.1353 118.3190 -206169.5709 17877.4923 0.0000 0.0000 34343.0546 -149064.9578 299.9264 -183408.0124 -148965.4000 299.7514 24.4271 58.8093 557195.3434 -1.0189 -0.7905 PRESSURE: 1140800 27.5371 66.2088 40.5729 66.2077 75.3206 -56.4059 40.5736 -56.4047 -184.108 GPRESSURE: 1140800 73.6219 121.238 57.0927 44.677 114.682 -65.9858 -25.0431 -128.44 -171.376 PRESSAVG: 1140800 25.6475 -31.6766 0.17784 -31.6766 52.0211 -18.7556 0.177901 -18.7555 -55.5059 GPRESSAVG: 1140800 24.3191 -29.3869 3.2908 -33.133 53.3618 -20.5508 -2.89372 -19.451 -55.7295 TIMING: 1140800 CPU: 3313.52, 0.00289937/step Wall: 3313.52, 0.00289937/step, 3.10813 hours remaining, 207.269531 MB of memory in use. ENERGY: 1140800 776.2588 2103.3889 1951.8526 115.0295 -206378.6745 17873.5380 0.0000 0.0000 34645.4651 -148913.1416 302.5675 -183558.6067 -148824.6643 300.4410 -27.0834 5.6425 557387.9965 7.3876 7.3171 PRESSURE: 1141000 -172.195 -98.479 74.4099 -98.4788 -108.131 -105.578 74.4103 -105.577 100.817 GPRESSURE: 1141000 -98.3627 -102.223 114.871 -26.3513 -83.0184 -209.208 -13.4467 -67.9597 94.3217 PRESSAVG: 1141000 57.7435 -0.774763 -5.17762 -0.774671 -35.3507 -32.9009 -5.17761 -32.9009 15.966 GPRESSAVG: 1141000 56.7216 -3.31301 -7.68393 0.895184 -35.5294 -29.8543 -3.16561 -34.752 17.4548 TIMING: 1141000 CPU: 3314.1, 0.00290581/step Wall: 3314.1, 0.00290581/step, 3.11487 hours remaining, 207.269531 MB of memory in use. ENERGY: 1141000 751.4020 2086.6161 1947.1956 122.2103 -205798.8998 17704.3443 0.0000 0.0000 34445.7127 -148741.4188 300.8230 -183187.1315 -148649.0426 300.5003 -59.8365 -29.0198 558908.5096 12.7862 12.8823 PRESSURE: 1141200 -137.029 105.899 43.3431 105.898 -66.292 -180.543 43.3428 -180.544 -230.125 GPRESSURE: 1141200 -72.927 155.201 37.6492 99.7472 -93.2602 -89.4568 30.7427 -192.858 -175.54 PRESSAVG: 1141200 -4.26757 13.8981 32.8452 13.898 -22.3278 -33.7164 32.8453 -33.7164 -11.7232 GPRESSAVG: 1141200 -3.14564 15.0152 35.1405 12.8472 -22.4723 -36.2988 32.5385 -32.1858 -13.0373 TIMING: 1141200 CPU: 3314.68, 0.00290798/step Wall: 3314.68, 0.00290798/step, 3.11703 hours remaining, 207.269531 MB of memory in use. ENERGY: 1141200 738.3020 2032.1514 1959.7999 112.0544 -205725.9919 17605.8257 0.0000 0.0000 34403.4176 -148874.4408 300.4536 -183277.8584 -148771.7718 300.0088 -144.4819 -113.9091 558250.3055 -12.7729 -12.8851 PRESSURE: 1141400 126.484 40.5789 -90.6911 40.5796 -197.921 -127.126 -90.6924 -127.127 55.4829 GPRESSURE: 1141400 133.908 16.0459 -107.451 1.37691 -168.208 -191.697 -119.914 -122.407 115.244 PRESSAVG: 1141400 28.4112 -33.1781 5.54415 -33.1782 -10.013 -27.5706 5.54408 -27.5706 7.42041 GPRESSAVG: 1141400 28.6948 -34.6249 3.75976 -32.2395 -10.2985 -23.5391 6.19012 -30.1373 7.63373 TIMING: 1141400 CPU: 3315.27, 0.00290888/step Wall: 3315.27, 0.00290888/step, 3.11783 hours remaining, 207.269531 MB of memory in use. ENERGY: 1141400 734.1629 2093.1992 1966.6974 123.8094 -205934.4303 17620.7633 0.0000 0.0000 34545.2675 -148850.5304 301.6924 -183395.7980 -148753.3416 300.7421 -5.3181 26.9812 557178.3657 8.6062 8.6767 PRESSURE: 1141600 -12.2812 124.851 -95.851 124.851 -27.5396 -178.999 -95.851 -178.997 -121.417 GPRESSURE: 1141600 20.8276 128.145 -137.981 22.1402 -4.90077 -163.925 -79.0837 -144.738 -84.5935 PRESSAVG: 1141600 22.3817 4.22221 -37.6055 4.22218 -30.0559 -16.4911 -37.6056 -16.4909 -13.3068 GPRESSAVG: 1141600 23.1337 5.65467 -36.8608 2.85913 -30.2065 -20.6019 -38.7888 -14.1469 -13.3058 TIMING: 1141600 CPU: 3315.85, 0.00290424/step Wall: 3315.85, 0.00290424/step, 3.1127 hours remaining, 207.269531 MB of memory in use. ENERGY: 1141600 735.1279 2061.0307 1968.0371 105.6190 -205906.7560 17717.5866 0.0000 0.0000 34453.6951 -148865.6596 300.8927 -183319.3547 -148770.8507 300.9311 -53.7461 -22.8889 558791.3942 -6.9936 -6.7929 PRESSURE: 1141800 77.3753 -247.365 -26.0881 -247.365 -182.565 34.3816 -26.0883 34.3823 19.7798 GPRESSURE: 1141800 72.3355 -150.632 -45.4417 -147.302 -115.603 71.6866 -26.171 69.6238 58.0336 PRESSAVG: 1141800 23.4979 -20.8818 -8.86461 -20.8818 4.85739 -19.4111 -8.86459 -19.4111 -15.7318 GPRESSAVG: 1141800 22.4747 -21.1206 -8.73982 -19.2666 5.1115 -19.1268 -6.60842 -21.1273 -15.0942 TIMING: 1141800 CPU: 3316.43, 0.00289889/step Wall: 3316.43, 0.00289889/step, 3.10681 hours remaining, 207.406250 MB of memory in use. ENERGY: 1141800 756.7294 2025.3775 1943.0937 108.6810 -205647.0897 17746.3871 0.0000 0.0000 34219.0064 -148847.8145 298.8431 -183066.8209 -148741.3923 300.1994 -28.4701 4.9221 558096.0889 4.2078 4.1640 PRESSURE: 1142000 -175.363 -27.9558 234.68 -27.956 -118.791 -29.759 234.679 -29.7576 -61.8646 GPRESSURE: 1142000 -130.962 -43.6706 240.385 -5.01331 -69.264 8.18951 217.744 -81.32 -65.687 PRESSAVG: 1142000 -20.1223 12.5441 34.3047 12.5442 -20.5913 -33.4995 34.3047 -33.4995 35.5432 GPRESSAVG: 1142000 -19.1818 13.6736 34.5003 10.7667 -20.3843 -34.5639 32.1572 -31.5342 34.2383 TIMING: 1142000 CPU: 3317.01, 0.00289692/step Wall: 3317.01, 0.00289692/step, 3.10454 hours remaining, 207.406250 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: 1142000 706.7446 2075.6530 1962.3398 112.4613 -205463.1116 17525.6669 0.0000 0.0000 34281.3973 -148798.8488 299.3880 -183080.2461 -148699.0552 299.9965 -118.6729 -88.6377 559467.6536 -1.7235 -1.7759 PRESSURE: 1142200 88.9314 -66.8237 91.9561 -66.8251 158.642 112.57 91.9545 112.571 89.8291 GPRESSURE: 1142200 94.6336 -139.413 109.306 -92.8347 177.522 39.5097 115.913 94.3373 150.209 PRESSAVG: 1142200 -6.1805 -3.97471 66.8932 -3.9746 -7.95097 -11.311 66.8932 -11.3109 1.97654 GPRESSAVG: 1142200 -4.61335 -3.15777 66.8466 -3.42693 -8.67038 -9.30689 68.3461 -11.97 1.18353 TIMING: 1142200 CPU: 3317.58, 0.00289553/step Wall: 3317.58, 0.00289553/step, 3.10288 hours remaining, 207.406250 MB of memory in use. ENERGY: 1142200 703.9881 2138.0007 1925.3795 116.6918 -205903.3608 17979.1982 0.0000 0.0000 34340.4195 -148699.6829 299.9034 -183040.1024 -148600.5192 300.3244 112.4674 140.7883 559226.5465 -4.0516 -4.0334 PRESSURE: 1142400 -155.773 -124.161 43.6941 -124.161 -246.355 116.419 43.6934 116.42 -166.211 GPRESSURE: 1142400 -119.306 -172.31 99.5586 -172.01 -208.458 118.625 51.1627 119.824 -139.072 PRESSAVG: 1142400 14.8347 20.4861 -11.0936 20.4861 22.7412 -30.858 -11.0937 -30.858 8.17008 GPRESSAVG: 1142400 13.1882 18.2837 -12.3068 20.4417 22.929 -29.9902 -10.5 -33.1275 10.1536 TIMING: 1142400 CPU: 3318.16, 0.00289784/step Wall: 3318.16, 0.00289784/step, 3.10519 hours remaining, 207.406250 MB of memory in use. ENERGY: 1142400 752.7208 2055.7983 1948.9217 121.6183 -205621.7345 17507.9010 0.0000 0.0000 34487.0983 -148747.6762 301.1844 -183234.7745 -148641.8921 300.6214 -189.4463 -155.6118 558900.2446 15.2486 15.4236 PRESSURE: 1142600 -184.171 -39.1569 49.3486 -39.1565 -43.3242 13.5645 49.3483 13.5659 31.2984 GPRESSURE: 1142600 -110.626 -89.4598 18.3149 -82.1251 -69.9486 -42.6651 83.1348 119.579 71.6965 PRESSAVG: 1142600 -23.3071 41.1701 25.8466 41.1699 -18.5793 -20.429 25.8466 -20.4289 32.5209 GPRESSAVG: 1142600 -22.8897 39.9392 26.7754 41.3224 -19.3146 -20.5622 22.7181 -19.5008 32.4846 TIMING: 1142600 CPU: 3318.75, 0.00291602/step Wall: 3318.75, 0.00291602/step, 3.12451 hours remaining, 207.406250 MB of memory in use. ENERGY: 1142600 761.0365 2100.4274 1924.1536 114.1395 -205837.6888 17677.0146 0.0000 0.0000 34342.2115 -148918.7057 299.9191 -183260.9172 -148830.6674 300.2661 -65.3990 -36.2928 558488.5077 -3.1218 -3.2399 PRESSURE: 1142800 104.059 -97.7582 -38.4591 -97.7573 -125.512 173.698 -38.4585 173.699 66.9059 GPRESSURE: 1142800 163.822 -126.745 5.38626 -46.4071 -102.968 148.273 -87.9533 74.6396 87.3153 PRESSAVG: 1142800 18.3634 -4.43465 -10.7018 -4.43458 -9.36549 9.51014 -10.7017 9.51005 -7.29147 GPRESSAVG: 1142800 18.9882 -2.7776 -11.8422 -4.24791 -9.20903 8.40708 -9.06066 10.6486 -8.69231 TIMING: 1142800 CPU: 3319.33, 0.00290962/step Wall: 3319.33, 0.00290962/step, 3.11749 hours remaining, 207.406250 MB of memory in use. ENERGY: 1142800 729.0062 2098.7225 1935.5975 99.6756 -206066.8785 17986.4260 0.0000 0.0000 34346.1286 -148871.3221 299.9533 -183217.4507 -148773.6136 300.0803 15.1511 49.3898 558223.4552 0.5688 0.3623 PRESSURE: 1143000 -300.842 -100.713 -99.3654 -100.714 -139.27 -64.8685 -99.366 -64.8675 -98.2634 GPRESSURE: 1143000 -235.686 -71.3837 -181.783 -106.337 -72.711 -146.486 -45.803 -52.1652 -122.347 PRESSAVG: 1143000 25.6815 -13.8475 -22.9481 -13.8474 -1.00833 -9.06805 -22.9481 -9.06805 -23.1226 GPRESSAVG: 1143000 25.5003 -15.0378 -22.356 -14.5345 -0.801251 -9.04603 -22.8673 -10.239 -22.8295 TIMING: 1143000 CPU: 3319.91, 0.00290735/step Wall: 3319.91, 0.00290735/step, 3.1149 hours remaining, 207.406250 MB of memory in use. ENERGY: 1143000 743.9642 2087.1406 1894.1925 98.6091 -205530.4388 17534.5128 0.0000 0.0000 34300.1842 -148871.8353 299.5520 -183172.0196 -148773.2698 300.7984 -179.4586 -143.5810 558668.7963 0.5169 0.6232 PRESSURE: 1143200 39.2702 -73.841 -118.399 -73.8417 -194.996 209.818 -118.401 209.819 -161.449 GPRESSURE: 1143200 31.8778 -80.6512 -144.232 -29.1846 -131.13 242.201 -189.469 219.266 -117.932 PRESSAVG: 1143200 18.4707 1.21088 -15.2945 1.21083 41.6319 -73.0229 -15.2946 -73.0229 -45.4574 GPRESSAVG: 1143200 16.691 1.95043 -15.416 1.68032 41.9848 -71.2817 -14.12 -73 -44.1553 TIMING: 1143200 CPU: 3320.49, 0.00289129/step Wall: 3320.49, 0.00289129/step, 3.09753 hours remaining, 207.406250 MB of memory in use. ENERGY: 1143200 705.9816 2143.1543 1950.5234 113.0787 -205807.9584 17673.7354 0.0000 0.0000 34357.5951 -148863.8899 300.0534 -183221.4850 -148761.9587 300.2986 -105.7251 -72.3948 558676.0960 4.8817 4.8402 PRESSURE: 1143400 17.8918 89.8428 7.10793 89.8411 -84.7172 88.4832 7.10768 88.4846 -70.1778 GPRESSURE: 1143400 10.6123 169.273 -44.1754 31.6048 16.3397 86.6238 -39.9099 35.1317 -51.3898 PRESSAVG: 1143400 10.7706 -20.4434 -27.9276 -20.4434 -13 -17.1816 -27.9275 -17.1816 -37.2947 GPRESSAVG: 1143400 11.0695 -19.9073 -28.3693 -21.0528 -12.4268 -17.9706 -29.3176 -18.2488 -38.3966 TIMING: 1143400 CPU: 3321.07, 0.00291626/step Wall: 3321.07, 0.00291626/step, 3.12413 hours remaining, 207.406250 MB of memory in use. ENERGY: 1143400 731.6593 2033.0004 1959.7773 107.6337 -205611.1181 17658.6302 0.0000 0.0000 34463.1440 -148657.2733 300.9752 -183120.4172 -148557.4793 300.9713 -45.6677 -8.1459 559022.6907 -13.1747 -13.2513 PRESSURE: 1143600 -170.403 -26.095 76.0291 -26.0954 -28.8628 -94.4856 76.0299 -94.489 -24.4294 GPRESSURE: 1143600 -60.9337 -96.0793 59.5537 74.0855 -36.4466 -44.6417 98.9098 -122.918 -23.193 PRESSAVG: 1143600 12.9133 43.3599 13.8732 43.3599 -2.34265 -50.0599 13.8732 -50.0598 -11.2918 GPRESSAVG: 1143600 12.594 41.4486 14.8133 46.3797 -3.48729 -51.8842 13.9919 -48.0869 -10.4654 TIMING: 1143600 CPU: 3321.65, 0.00289316/step Wall: 3321.65, 0.00289316/step, 3.09922 hours remaining, 207.406250 MB of memory in use. ENERGY: 1143600 748.3210 2120.8480 1942.8162 109.6682 -205348.3754 17640.6370 0.0000 0.0000 34429.5505 -148356.5346 300.6818 -182786.0850 -148261.9497 300.6464 -74.5650 -40.1911 560390.7534 -0.2404 -0.4529 PRESSURE: 1143800 -13.96 25.4896 -57.3881 25.4891 -325.543 140.203 -57.3881 140.205 -169.616 GPRESSURE: 1143800 -62.6352 44.9604 -115.5 23.6935 -285.471 111.939 -142.082 125.138 -68.1227 PRESSAVG: 1143800 -28.7301 -7.45262 -23.1523 -7.45257 -9.91743 -8.339 -23.1523 -8.33904 30.203 GPRESSAVG: 1143800 -28.5995 -6.15448 -24.5492 -10.9584 -9.48348 -7.33655 -23.6482 -9.90882 29.0519 TIMING: 1143800 CPU: 3322.23, 0.00290978/step Wall: 3322.23, 0.00290978/step, 3.11686 hours remaining, 207.406250 MB of memory in use. ENERGY: 1143800 756.2874 2032.0340 1937.5657 117.9317 -205652.3572 17591.2860 0.0000 0.0000 34748.3603 -148468.8921 303.4661 -183217.2524 -148371.8961 301.7120 -169.7064 -138.7430 559856.8340 -2.8149 -3.0104 PRESSURE: 1144000 -191.214 71.9794 58.6008 71.9799 -123.826 104.882 58.5998 104.883 85.5764 GPRESSURE: 1144000 -141.521 62.8946 26.4709 113.588 -106.414 131.427 139.381 97.8979 114.32 PRESSAVG: 1144000 -51.3582 0.38124 -23.5948 0.381134 5.81891 22.9494 -23.5948 22.9494 44.7071 GPRESSAVG: 1144000 -52.6023 1.7549 -23.2948 0.614842 6.7152 21.9299 -21.8265 24.0393 44.9653 TIMING: 1144000 CPU: 3322.82, 0.0029146/step Wall: 3322.82, 0.0029146/step, 3.12187 hours remaining, 207.406250 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: 1144000 758.0964 2076.2051 1977.1305 129.4243 -205421.6595 17515.8413 0.0000 0.0000 34533.7462 -148431.2156 301.5918 -182964.9618 -148335.4975 300.8804 -76.4879 -44.5385 558522.0171 -0.2774 -0.3073 PRESSURE: 1144200 -82.8528 -0.178655 -57.0968 -0.179437 -304.952 -126.45 -57.0969 -126.449 23.2407 GPRESSURE: 1144200 -19.1581 -43.7599 -85.1133 14.6819 -232.162 -105.167 -6.91635 -94.7824 -14.8573 PRESSAVG: 1144200 -13.9683 -5.03504 -33.506 -5.03506 17.5273 3.95828 -33.506 3.95831 -0.731599 GPRESSAVG: 1144200 -12.585 -6.80907 -35.0239 -2.94819 16.5103 4.72514 -32.0052 4.53826 -0.957754 TIMING: 1144200 CPU: 3323.4, 0.00290586/step Wall: 3323.4, 0.00290586/step, 3.11234 hours remaining, 207.406250 MB of memory in use. ENERGY: 1144200 794.9483 2072.1049 1951.6129 112.6654 -205546.4224 17619.3565 0.0000 0.0000 34405.9794 -148589.7550 300.4760 -182995.7344 -148501.1190 300.5023 -121.5215 -88.7257 558925.7348 0.9425 0.9892 LDB: ============= START OF LOAD BALANCING ============== 3326.87 LDB: ============== END OF LOAD BALANCING =============== 3326.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3326.87 LDB: ============= START OF LOAD BALANCING ============== 3327.16 LDB: Largest compute 4855 load 0.028517 is 24.3% of average load 0.117578 LDB: Average compute 0.001737 is 1.5% of average load 0.117578 LDB: TIME 3327.16 LOAD: AVG 0.117578 MAX 0.176741 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.266 MB LDB: TIME 3327.16 LOAD: AVG 0.117578 MAX 0.176741 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.266 MB LDB: TIME 3327.16 LOAD: AVG 0.117578 MAX 0.176741 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3327.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3327.17 PRESSURE: 1144400 -187.754 176.297 -123.259 176.298 -254.817 -21.228 -123.259 -21.227 -140.055 GPRESSURE: 1144400 -173.002 162.558 -76.1649 165.646 -204.361 -21.8061 -151.51 134.809 -106.74 PRESSAVG: 1144400 18.7397 -1.39239 3.71461 -1.39244 -15.799 19.3177 3.71462 19.3176 16.686 GPRESSAVG: 1144400 17.2967 -0.943933 5.15898 -4.9101 -16.3784 20.3227 3.43223 17.5244 17.6981 TIMING: 1144400 CPU: 3323.99, 0.00299122/step Wall: 3323.99, 0.00299122/step, 3.20359 hours remaining, 204.546875 MB of memory in use. ENERGY: 1144400 760.1649 2088.6737 1945.8228 116.2245 -205232.3352 17469.0751 0.0000 0.0000 34286.2699 -148566.1043 299.4305 -182852.3742 -148470.5944 300.7128 -194.2088 -161.3678 559828.6659 6.5422 6.2055 PRESSURE: 1144600 40.3561 -128.505 -1.48857 -128.505 -18.3961 -25.1658 -1.48724 -25.164 -111.094 GPRESSURE: 1144600 153.094 -34.4074 -80.411 -223.196 -3.96768 -40.9607 110.46 5.26273 -126.895 PRESSAVG: 1144600 34.8513 -18.9587 20.2911 -18.9587 -29.836 -45.0413 20.2911 -45.0412 17.1682 GPRESSAVG: 1144600 35.3145 -17.5652 20.8939 -17.0737 -28.9274 -43.479 19.0344 -44.3475 15.6749 TIMING: 1144600 CPU: 3324.58, 0.0029086/step Wall: 3324.58, 0.0029086/step, 3.11495 hours remaining, 204.750000 MB of memory in use. ENERGY: 1144600 732.0933 1992.8003 1978.8581 122.6693 -205633.0303 17740.2268 0.0000 0.0000 34368.4191 -148697.9635 300.1480 -183066.3827 -148600.1108 300.5722 -29.7114 7.4105 559552.3689 7.3945 7.3540 PRESSURE: 1144800 -259.065 -59.4231 -9.61441 -59.4245 -235.337 37.7489 -9.61522 37.7491 6.04748 GPRESSURE: 1144800 -208.993 -35.86 4.7842 -117.166 -193.149 49.9628 -20.6321 12.094 16.2087 PRESSAVG: 1144800 37.793 -0.667484 7.78596 -0.667514 -64.3269 7.09237 7.78601 7.09244 39.8868 GPRESSAVG: 1144800 37.4738 -2.51626 6.98714 -0.115993 -64.6076 6.31399 7.55245 7.8766 40.4022 TIMING: 1144800 CPU: 3325.16, 0.00292032/step Wall: 3325.16, 0.00292032/step, 3.12734 hours remaining, 204.750000 MB of memory in use. ENERGY: 1144800 746.9895 2025.4687 1939.8486 119.1836 -205382.0725 17527.6286 0.0000 0.0000 34439.2125 -148583.7410 300.7662 -183022.9535 -148485.4086 300.7348 -162.7847 -128.6446 560107.8645 4.4510 4.4228 PRESSURE: 1145000 177.336 -131.953 -63.9327 -131.952 38.333 52.4092 -63.9309 52.4098 174.72 GPRESSURE: 1145000 225.801 -97.8752 -68.2678 -85.3207 65.7967 103.918 70.0969 -55.2225 195.224 PRESSAVG: 1145000 75.2348 -28.4583 -7.19379 -28.4583 -74.5172 -23.3647 -7.19384 -23.3647 43.9076 GPRESSAVG: 1145000 75.8317 -28.2368 -7.45623 -27.8929 -74.3087 -23.7158 -6.33654 -23.7061 43.2999 TIMING: 1145000 CPU: 3325.74, 0.00291018/step Wall: 3325.74, 0.00291018/step, 3.11632 hours remaining, 204.750000 MB of memory in use. ENERGY: 1145000 734.6151 2084.4160 1997.7364 108.1952 -205888.6262 18039.0235 0.0000 0.0000 34370.4189 -148554.2211 300.1654 -182924.6400 -148460.0154 301.1912 130.1298 162.2740 558258.8454 14.8751 14.9409 PRESSURE: 1145200 -279.269 34.0533 -36.5958 34.0544 -181.385 -132.389 -36.5956 -132.388 -69.2322 GPRESSURE: 1145200 -294.168 88.9325 43.4167 63.3235 -67.2908 -151.056 -57.4525 -167.453 -74.8195 PRESSAVG: 1145200 -48.4356 -39.7841 9.22515 -39.7841 17.2039 -55.3797 9.22518 -55.3796 34.2825 GPRESSAVG: 1145200 -49.8846 -41.0697 8.19597 -38.0487 17.9197 -57.8475 9.29577 -55.0157 34.3673 TIMING: 1145200 CPU: 3326.32, 0.00290551/step Wall: 3326.32, 0.00290551/step, 3.11115 hours remaining, 204.820312 MB of memory in use. ENERGY: 1145200 744.4563 2109.6523 1957.5903 104.4115 -205420.6297 17559.4313 0.0000 0.0000 34355.2563 -148589.8317 300.0330 -182945.0880 -148485.3260 300.9266 -176.6288 -145.4262 560080.7622 1.0169 0.8008 PRESSURE: 1145400 102.891 -55.1734 -74.1491 -55.175 -174.517 -43.1714 -74.1494 -43.171 -27.8081 GPRESSURE: 1145400 180.553 -57.6732 -119.493 -75.2606 -142.409 -78.2398 -89.6721 -59.9514 -40.9374 PRESSAVG: 1145400 -20.3361 41.4232 -42.7132 41.4231 20.7181 -46.6159 -42.7132 -46.6159 -34.0523 GPRESSAVG: 1145400 -19.3346 42.3108 -43.1854 38.8011 18.6532 -45.2517 -42.526 -47.391 -33.0064 TIMING: 1145400 CPU: 3326.91, 0.00291017/step Wall: 3326.91, 0.00291017/step, 3.11598 hours remaining, 204.890625 MB of memory in use. ENERGY: 1145400 757.2645 2053.0884 1964.3100 119.7251 -205705.0754 17771.9171 0.0000 0.0000 34282.9494 -148755.8209 299.4015 -183038.7703 -148658.1452 300.2004 -33.1446 -0.9311 558797.5163 -11.2234 -11.2293 PRESSURE: 1145600 232.365 74.09 45.4734 74.0886 -40.4978 -20.6731 45.4745 -20.6725 206.564 GPRESSURE: 1145600 214.282 69.4735 9.74681 92.7162 -14.8469 41.0077 34.0482 -85.3831 309.272 PRESSAVG: 1145600 62.0877 8.76383 2.72767 8.76382 69.2169 -51.4085 2.72777 -51.4084 -90.9257 GPRESSAVG: 1145600 61.1194 9.57454 4.92045 7.5434 69.049 -51.9267 1.52058 -51.1027 -89.9721 TIMING: 1145600 CPU: 3327.49, 0.00291037/step Wall: 3327.49, 0.00291037/step, 3.11604 hours remaining, 204.890625 MB of memory in use. ENERGY: 1145600 749.2672 2055.2681 1948.0625 119.9170 -206085.2052 18107.1619 0.0000 0.0000 34408.1121 -148697.4164 300.4946 -183105.5286 -148607.5311 300.2296 132.8107 169.5690 557121.0567 13.4596 13.3988 PRESSURE: 1145800 -253.931 213.047 -83.2262 213.049 78.5532 140.346 -83.2259 140.346 -95.5782 GPRESSURE: 1145800 -147.146 200.71 -17.5692 232.184 91.3506 105.183 -48.0801 193.168 -127.023 PRESSAVG: 1145800 -45.2092 63.4805 18.5189 63.4807 37.297 -20.6123 18.5188 -20.6123 -16.3501 GPRESSAVG: 1145800 -44.4458 63.292 19.0056 63.7911 38.0583 -21.1773 18.0828 -19.8551 -18.3124 TIMING: 1145800 CPU: 3328.07, 0.0029106/step Wall: 3328.07, 0.0029106/step, 3.11612 hours remaining, 204.890625 MB of memory in use. ENERGY: 1145800 723.4700 2083.9429 1942.1496 110.8792 -205670.9879 17625.7434 0.0000 0.0000 34357.7446 -148827.0581 300.0547 -183184.8027 -148726.8906 300.4162 -90.3185 -60.9393 559069.5828 -8.0874 -8.2333 PRESSURE: 1146000 -188.664 43.7941 -90.8637 43.7941 124.135 20.1195 -90.8645 20.1192 -216.028 GPRESSURE: 1146000 -168.951 48.1913 -11.3434 7.29818 173.303 38.9624 -90.1469 71.8063 -186.797 PRESSAVG: 1146000 18.3293 48.5341 27.7457 48.5341 -11.6318 6.23213 27.7457 6.23209 -33.1478 GPRESSAVG: 1146000 19.2257 49.7315 28.0141 47.8941 -13.1827 8.05065 27.7458 5.28742 -32.8489 TIMING: 1146000 CPU: 3328.65, 0.00291163/step Wall: 3328.65, 0.00291163/step, 3.11707 hours remaining, 204.890625 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: 1146000 696.4889 2097.4830 1956.0995 114.3328 -205879.9791 17535.8558 0.0000 0.0000 34539.5145 -148940.2046 301.6422 -183479.7191 -148852.0062 299.8705 -93.5191 -60.8150 557502.1802 -8.8168 -8.9353 PRESSURE: 1146200 -25.3167 -102.792 -49.6399 -102.793 48.8575 12.6877 -49.6394 12.6885 41.5509 GPRESSURE: 1146200 12.427 -121.77 -52.7117 -72.8611 134.93 -34.1941 -30.6834 6.52763 25.0543 PRESSAVG: 1146200 32.6577 -2.36068 -24.0113 -2.36071 29.5806 -54.9989 -24.0113 -54.9989 -42.1338 GPRESSAVG: 1146200 31.8493 -3.98855 -24.5519 -0.485164 31.1394 -54.7665 -23.8976 -54.6231 -42.4096 TIMING: 1146200 CPU: 3329.23, 0.00289985/step Wall: 3329.23, 0.00289985/step, 3.10429 hours remaining, 204.890625 MB of memory in use. ENERGY: 1146200 751.8678 2153.5257 1937.0836 125.9078 -205940.4684 17879.1133 0.0000 0.0000 34225.5049 -148867.4652 298.8998 -183092.9702 -148774.0510 300.1694 21.6972 57.4705 557996.4840 6.7015 6.8597 PRESSURE: 1146400 32.3146 115.529 76.1393 115.529 39.6737 20.2175 76.1418 20.2189 -5.92116 GPRESSURE: 1146400 25.9944 66.3874 93.0878 18.1665 119.811 38.5157 59.1464 11.2204 33.4313 PRESSAVG: 1146400 50.4543 -3.67246 15.0218 -3.67261 51.956 28.9406 15.0219 28.9407 -126.717 GPRESSAVG: 1146400 50.7123 -4.40505 15.6128 -4.55825 52.3886 29.7708 15.3766 27.294 -127.484 TIMING: 1146400 CPU: 3329.82, 0.00292372/step Wall: 3329.82, 0.00292372/step, 3.12968 hours remaining, 204.890625 MB of memory in use. ENERGY: 1146400 775.0123 2122.4472 1947.8313 123.7342 -206077.7770 17914.7079 0.0000 0.0000 34490.9408 -148703.1032 301.2180 -183194.0440 -148600.9345 300.5454 22.0224 59.7457 557406.5343 -8.1021 -8.1276 PRESSURE: 1146600 -178.002 10.1019 79.9771 10.1016 -0.464463 21.8098 79.9768 21.8096 -57.5047 GPRESSURE: 1146600 -162.25 73.4192 86.041 44.9623 3.3076 56.2055 86.5422 63.4487 28.5295 PRESSAVG: 1146600 38.4819 0.885703 18.2453 0.885793 42.7844 -56.3254 18.2453 -56.3254 -97.7372 GPRESSAVG: 1146600 38.7263 2.26364 15.7325 1.18011 41.7252 -56.4247 19.3452 -55.4029 -96.5285 TIMING: 1146600 CPU: 3330.4, 0.00293348/step Wall: 3330.4, 0.00293348/step, 3.13997 hours remaining, 204.890625 MB of memory in use. ENERGY: 1146600 770.7675 2098.4811 1969.9838 123.3783 -205986.4308 17636.1610 0.0000 0.0000 34428.0229 -148959.6363 300.6685 -183387.6592 -148859.1957 300.3334 -78.6572 -43.4710 557219.6625 -5.4903 -5.3590 PRESSURE: 1146800 -242.89 -56.4006 -71.5278 -56.401 -44.3879 -58.0228 -71.5294 -58.0234 -255.022 GPRESSURE: 1146800 -183.401 -87.4814 -67.3071 24.849 -55.1094 -41.1444 -60.7696 -77.4438 -216.205 PRESSAVG: 1146800 8.99456 8.55358 24.0685 8.55365 11.1592 -48.0624 24.0685 -48.0623 -31.2932 GPRESSAVG: 1146800 9.26949 6.97045 25.4044 8.64338 10.7586 -49.6097 23.9523 -47.891 -31.8073 TIMING: 1146800 CPU: 3330.98, 0.00290248/step Wall: 3330.98, 0.00290248/step, 3.10662 hours remaining, 204.890625 MB of memory in use. ENERGY: 1146800 750.7883 2114.1794 1961.3814 116.3915 -205652.9626 17247.3284 0.0000 0.0000 34468.4483 -148994.4454 301.0215 -183462.8937 -148898.1692 299.5553 -180.7665 -151.5719 555966.3041 -3.7131 -3.9264 PRESSURE: 1147000 -190.528 -79.7636 -71.979 -79.7643 -182.43 17.0358 -71.9791 17.0342 31.7761 GPRESSURE: 1147000 -180.961 -42.2235 -29.7236 -171.631 -140.113 -59.8646 -74.3303 0.101097 71.8887 PRESSAVG: 1147000 17.4249 -6.46644 -4.06216 -6.46649 10.5458 -28.2172 -4.06209 -28.2171 -32.876 GPRESSAVG: 1147000 16.8733 -3.25675 -3.51815 -8.90933 10.9581 -27.1604 -3.32248 -28.6685 -32.6494 TIMING: 1147000 CPU: 3331.56, 0.00289961/step Wall: 3331.56, 0.00289961/step, 3.10338 hours remaining, 204.890625 MB of memory in use. ENERGY: 1147000 732.3187 2082.1641 1966.0060 113.2436 -205944.5795 17522.1224 0.0000 0.0000 34486.7069 -149042.0177 301.1810 -183528.7247 -148947.9257 300.7213 -113.7272 -83.0616 556616.2048 -1.6351 -1.6060 PRESSURE: 1147200 -99.4301 -73.3218 133.62 -73.3217 14.8037 -44.4202 133.62 -44.4201 63.0117 GPRESSURE: 1147200 -31.1995 -46.9786 113.157 -123.909 -20.8132 -1.80715 108.894 -73.5109 119.216 PRESSAVG: 1147200 47.7171 1.9198 -2.21123 1.91966 8.96369 -7.48185 -2.21126 -7.48187 -66.2587 GPRESSAVG: 1147200 47.7046 0.170025 -1.64285 3.63721 8.78017 -5.64853 -4.22203 -9.54249 -65.8539 TIMING: 1147200 CPU: 3332.14, 0.00289167/step Wall: 3332.14, 0.00289167/step, 3.09473 hours remaining, 204.890625 MB of memory in use. ENERGY: 1147200 769.9701 2122.2510 1981.3642 99.0255 -206073.7544 17692.3192 0.0000 0.0000 34463.9749 -148944.8494 300.9825 -183408.8243 -148858.2906 300.3115 -7.2049 22.4010 555449.9899 -3.1926 -3.1230 PRESSURE: 1147400 -33.2127 -81.1237 154.321 -81.1231 -51.6549 37.5113 154.322 37.5086 -243.027 GPRESSURE: 1147400 -3.67052 -6.80655 242.773 -145.795 -60.464 54.5776 10.1538 -73.3258 -153.102 PRESSAVG: 1147400 7.15686 -21.5412 10.9168 -21.5412 53.2863 -16.8893 10.9168 -16.8892 -34.3989 GPRESSAVG: 1147400 6.9971 -19.1711 8.85132 -24.1507 54.3065 -20.8439 11.0784 -13.447 -35.7283 TIMING: 1147400 CPU: 3332.72, 0.00289269/step Wall: 3332.72, 0.00289269/step, 3.09566 hours remaining, 204.890625 MB of memory in use. ENERGY: 1147400 723.3525 2085.2662 1945.3034 124.6254 -205784.3889 17530.6425 0.0000 0.0000 34388.6992 -148986.4997 300.3251 -183375.1989 -148893.8914 300.0297 -109.2981 -72.4122 557342.2419 8.6814 8.5251 PRESSURE: 1147600 111.438 -162.513 74.4318 -162.514 78.6447 105.339 74.4323 105.338 -123.127 GPRESSURE: 1147600 82.9379 -117.397 97.7958 -156.346 139.992 31.9118 61.9484 199.321 -54.6021 PRESSAVG: 1147600 64.4569 -50.3024 20.4081 -50.3024 25.3604 74.6887 20.408 74.6888 -60.9043 GPRESSAVG: 1147600 63.3262 -54.286 22.1603 -47.3008 24.7668 75.7101 20.8081 74.7975 -59.441 TIMING: 1147600 CPU: 3333.3, 0.00289472/step Wall: 3333.3, 0.00289472/step, 3.09767 hours remaining, 204.890625 MB of memory in use. ENERGY: 1147600 724.3342 2083.6719 1948.9670 121.2722 -206231.1614 17869.0614 0.0000 0.0000 34403.2796 -149080.5751 300.4524 -183483.8546 -148982.9233 300.0076 22.3187 56.1091 557574.1742 9.6377 9.5507 PRESSURE: 1147800 -42.291 -69.2162 59.5829 -69.2162 103.783 -24.0247 59.5831 -24.0242 -20.2475 GPRESSURE: 1147800 32.3423 -93.722 94.6499 -53.0714 134.136 -46.7507 58.5883 -17.1623 -25.2228 PRESSAVG: 1147800 57.3539 -46.2812 10.8461 -46.2813 -7.94937 22.2434 10.8461 22.2435 -59.9809 GPRESSAVG: 1147800 58.8023 -46.441 10.3108 -46.5594 -7.8808 25.056 10.9455 21.0589 -61.3634 TIMING: 1147800 CPU: 3333.88, 0.00288746/step Wall: 3333.88, 0.00288746/step, 3.08974 hours remaining, 204.890625 MB of memory in use. ENERGY: 1147800 730.0055 2097.2661 1977.3035 107.1281 -206191.3212 17893.8920 0.0000 0.0000 34268.7905 -149116.9356 299.2779 -183385.7261 -149016.9125 298.9744 13.7481 47.0851 556955.9319 -3.5255 -3.4806 PRESSURE: 1148000 -111.318 196.227 103.508 196.227 11.0257 58.5354 103.508 58.5376 51.116 GPRESSURE: 1148000 -121.938 149.596 47.1626 204.272 49.5178 68.3843 114.294 31.8762 127.046 PRESSAVG: 1148000 16.0077 -58.5379 13.7718 -58.5379 35.0474 29.7409 13.7717 29.7409 -12.4575 GPRESSAVG: 1148000 15.5029 -57.148 14.1963 -59.7615 35.196 26.9121 13.5105 30.2217 -11.5799 TIMING: 1148000 CPU: 3334.46, 0.00289881/step Wall: 3334.46, 0.00289881/step, 3.10173 hours remaining, 204.890625 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: 1148000 766.7867 2117.5281 1947.6628 106.9185 -205833.2644 17666.9104 0.0000 0.0000 34152.8891 -149074.5687 298.2657 -183227.4578 -148987.1823 299.4300 -16.3921 18.2085 557620.3762 12.8658 13.0397 PRESSURE: 1148200 79.1134 42.9222 89.4269 42.9214 149.564 -13.4469 89.426 -13.445 142.115 GPRESSURE: 1148200 73.8658 41.3205 176.529 53.0668 179.555 -33.8521 45.9 -107.465 232.268 PRESSAVG: 1148200 0.92855 -4.96973 66.4594 -4.96964 13.6637 -22.003 66.4595 -22.003 -2.89822 GPRESSAVG: 1148200 -0.264332 -4.07443 64.7016 -7.59374 14.3418 -19.8886 68.0514 -21.8921 -2.46011 TIMING: 1148200 CPU: 3335.04, 0.00289469/step Wall: 3335.04, 0.00289469/step, 3.09716 hours remaining, 204.890625 MB of memory in use. ENERGY: 1148200 753.1830 2102.3649 1964.1990 113.1297 -206330.0132 17963.1371 0.0000 0.0000 34467.3646 -148966.6348 301.0121 -183433.9993 -148865.7268 299.6440 123.5975 161.8964 556349.4386 3.8980 3.8725 LDB: ============= START OF LOAD BALANCING ============== 3338.5 LDB: ============== END OF LOAD BALANCING =============== 3338.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3338.5 LDB: ============= START OF LOAD BALANCING ============== 3338.79 LDB: Largest compute 4855 load 0.027381 is 23.3% of average load 0.117565 LDB: Average compute 0.001741 is 1.5% of average load 0.117565 LDB: TIME 3338.8 LOAD: AVG 0.117565 MAX 0.179227 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.648 MB LDB: TIME 3338.8 LOAD: AVG 0.117565 MAX 0.179227 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.711 MB LDB: TIME 3338.8 LOAD: AVG 0.117565 MAX 0.179227 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.711 MB LDB: ============== END OF LOAD BALANCING =============== 3338.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3338.8 PRESSURE: 1148400 -122.21 141.364 -41.9469 141.364 -143.912 -75.3352 -41.9469 -75.3351 -90.0298 GPRESSURE: 1148400 -91.6674 184.278 -3.99379 157.117 -75.9914 -56.3579 -12.0085 -80.3467 -91.7671 PRESSAVG: 1148400 28.7168 19.5501 37.3728 19.5501 3.38121 -10.0063 37.3727 -10.0063 -25.9622 GPRESSAVG: 1148400 29.2863 17.8307 38.5827 23.3763 3.1625 -12.0347 34.2883 -10.8797 -26.1745 TIMING: 1148400 CPU: 3335.63, 0.00295578/step Wall: 3335.63, 0.00295578/step, 3.16236 hours remaining, 203.980469 MB of memory in use. ENERGY: 1148400 743.0011 2132.9970 1950.6629 120.9080 -205682.5115 17548.7877 0.0000 0.0000 34112.6926 -149073.4621 297.9146 -183186.1547 -148966.1801 299.8857 -118.7173 -86.4753 558072.1046 2.0453 2.0914 PRESSURE: 1148600 -142.86 56.1747 100.845 56.1756 -276.58 41.1429 100.844 41.1422 7.52604 GPRESSURE: 1148600 -96.9038 36.3827 23.8792 13.1085 -288.259 32.4049 23.12 95.8053 71.5083 PRESSAVG: 1148600 -56.4276 -6.96317 11.1538 -6.96301 18.3171 15.4972 11.1539 15.4971 28.176 GPRESSAVG: 1148600 -55.8595 -7.94447 7.73878 -7.10204 19.0104 17.2065 14.2437 15.1271 27.4393 TIMING: 1148600 CPU: 3336.2, 0.0028797/step Wall: 3336.2, 0.0028797/step, 3.0808 hours remaining, 203.980469 MB of memory in use. ENERGY: 1148600 745.3619 2137.3290 1952.2517 114.7571 -205923.6825 17556.1626 0.0000 0.0000 34371.1334 -149046.6869 300.1717 -183417.8203 -148950.9686 299.3557 -137.3048 -104.5516 558574.4021 -3.3115 -3.1366 PRESSURE: 1148800 -145.781 -86.9282 -95.8985 -86.9289 -203.687 -240.732 -95.8989 -240.731 27.3916 GPRESSURE: 1148800 -76.2628 -18.8845 -35.8727 -73.4168 -234.637 -224.618 -100.461 -232.053 76.8633 PRESSAVG: 1148800 -13.3943 -22.7743 4.42198 -22.7742 8.85683 -18.5001 4.422 -18.5 23.4746 GPRESSAVG: 1148800 -13.2649 -19.9532 7.96755 -21.4346 8.16711 -18.7715 3.66213 -18.109 24.2561 TIMING: 1148800 CPU: 3336.78, 0.00288788/step Wall: 3336.78, 0.00288788/step, 3.08939 hours remaining, 203.980469 MB of memory in use. ENERGY: 1148800 785.6233 2128.1291 1959.0489 115.2893 -206219.4106 17844.8254 0.0000 0.0000 34362.0003 -149024.4944 300.0919 -183386.4947 -148925.0410 300.1467 -107.3587 -78.0120 558800.7511 6.3124 6.3861 PRESSURE: 1149000 -95.3773 140.126 -104.198 140.126 -86.8742 51.0303 -104.199 51.03 126.867 GPRESSURE: 1149000 -63.8054 163.618 -61.5821 125.993 -40.6632 27.5513 -116.241 107.329 152.971 PRESSAVG: 1149000 -48.7104 -30.4828 -6.55562 -30.4827 62.6838 16.2478 -6.55566 16.2477 6.64595 GPRESSAVG: 1149000 -48.3368 -28.7348 -8.18271 -33.1404 62.6435 15.1355 -7.48591 17.5445 6.13974 TIMING: 1149000 CPU: 3337.36, 0.00288578/step Wall: 3337.36, 0.00288578/step, 3.08698 hours remaining, 203.980469 MB of memory in use. ENERGY: 1149000 766.3708 2134.0992 1977.3809 113.8834 -205988.5670 17822.1490 0.0000 0.0000 34033.1061 -149141.5775 297.2196 -183174.6836 -149046.0164 299.5116 -18.4614 16.1674 557912.8977 6.8731 6.8155 PRESSURE: 1149200 -69.1678 -64.6181 -21.5354 -64.6178 -25.0538 20.7838 -21.5354 20.7834 -38.339 GPRESSURE: 1149200 -28.5806 -35.8119 44.6192 -84.4896 -22.966 65.9818 -14.9686 61.1138 9.00202 PRESSAVG: 1149200 15.4709 23.3593 -35.9368 23.3592 26.3297 31.732 -35.9368 31.732 -28.8829 GPRESSAVG: 1149200 15.165 22.4768 -36.5776 24.9519 26.0355 32.1348 -35.1443 29.2572 -28.064 TIMING: 1149200 CPU: 3337.94, 0.00289084/step Wall: 3337.94, 0.00289084/step, 3.09223 hours remaining, 203.980469 MB of memory in use. ENERGY: 1149200 732.4701 2083.1734 1988.2839 122.8676 -206102.8862 17703.1642 0.0000 0.0000 34381.4007 -149091.5262 300.2613 -183472.9270 -148994.4125 299.5552 -44.1869 -14.1815 557541.4884 4.3059 4.3788 PRESSURE: 1149400 -13.8507 -222.887 -107.224 -222.889 53.6625 -1.99353 -107.223 -1.99513 -86.2269 GPRESSURE: 1149400 59.1002 -241.043 -161.391 -217.485 79.1354 -6.42049 21.6629 76.8703 -89.4017 PRESSAVG: 1149400 25.631 -19.1189 -1.28712 -19.1188 14.4839 -37.7626 -1.28717 -37.7626 -29.3056 GPRESSAVG: 1149400 25.5525 -20.614 -1.41387 -20.3334 15.2559 -37.5779 -0.965619 -37.3485 -29.8501 TIMING: 1149400 CPU: 3338.51, 0.00289252/step Wall: 3338.51, 0.00289252/step, 3.09387 hours remaining, 203.980469 MB of memory in use. ENERGY: 1149400 788.8560 2121.1925 1943.2774 111.8524 -206045.7041 17818.3764 0.0000 0.0000 34172.5476 -149089.6019 298.4374 -183262.1495 -148997.7146 299.7465 -15.4717 16.2780 557698.2179 3.6031 3.6528 PRESSURE: 1149600 -56.9535 91.7517 14.988 91.7507 -173.858 -207.4 14.9879 -207.399 41.78 GPRESSURE: 1149600 -35.4796 96.0697 -25.9061 128.019 -95.8577 -261.426 -24.1305 -156.994 48.5672 PRESSAVG: 1149600 18.0843 -7.65684 -60.9455 -7.65692 -15.8564 -20.803 -60.9456 -20.8031 9.28937 GPRESSAVG: 1149600 18.3662 -7.20376 -59.544 -6.5246 -15.0386 -19.7787 -62.5818 -20.2299 7.85936 TIMING: 1149600 CPU: 3339.09, 0.00287139/step Wall: 3339.09, 0.00287139/step, 3.07111 hours remaining, 204.183594 MB of memory in use. ENERGY: 1149600 768.0137 2070.1945 1945.6243 112.3478 -206219.2338 17835.4559 0.0000 0.0000 34316.0536 -149171.5439 299.6906 -183487.5976 -149069.5798 299.5726 -63.0104 -27.5900 557256.1181 3.8391 3.7290 PRESSURE: 1149800 93.0215 -24.692 47.1322 -24.691 -264.844 -73.1303 47.1331 -73.1292 -101.97 GPRESSURE: 1149800 135.174 78.8662 91.5467 -152.131 -231.393 10.3442 -52.5453 -108.207 -71.8514 PRESSAVG: 1149800 -17.0773 -23.3833 -18.4502 -23.3832 34.4989 11.1592 -18.4502 11.1592 11.3484 GPRESSAVG: 1149800 -16.5254 -22.0815 -19.1876 -24.2226 33.362 10.2922 -17.9031 11.2109 11.6614 TIMING: 1149800 CPU: 3339.66, 0.00287558/step Wall: 3339.66, 0.00287558/step, 3.07543 hours remaining, 204.222656 MB of memory in use. ENERGY: 1149800 745.4393 2111.1712 1971.9897 124.0207 -206432.3208 17770.2446 0.0000 0.0000 34335.7262 -149373.7291 299.8624 -183709.4553 -149273.1442 298.6603 -91.2641 -56.0233 556898.2466 9.5900 9.4993 PRESSURE: 1150000 -108.44 79.3804 192.81 79.3802 -56.2443 -219.633 192.809 -219.633 -262.613 GPRESSURE: 1150000 -74.3405 126.613 213.241 -0.515336 8.03492 -121.194 198.299 -223.461 -277.475 PRESSAVG: 1150000 89.0597 -8.97571 44.2697 -8.9758 -54.0815 -50.9565 44.2697 -50.9565 -92.2377 GPRESSAVG: 1150000 88.2881 -10.387 44.6523 -8.34936 -53.4607 -50.0784 43.0037 -51.6927 -92.1398 TIMING: 1150000 CPU: 3340.24, 0.00287794/step Wall: 3340.24, 0.00287794/step, 3.0778 hours remaining, 204.222656 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: 1150000 675.6761 2092.4844 1943.2415 115.7113 -206018.8772 17380.2326 0.0000 0.0000 34209.3063 -149602.2250 298.7584 -183811.5313 -149500.6083 298.9523 -142.4323 -114.5934 557282.6821 -19.0865 -19.1041 PRESSURE: 1150200 -296.81 -160.303 174.486 -160.303 118.398 -36.6446 174.487 -36.646 -60.8138 GPRESSURE: 1150200 -264.171 -94.9961 173.108 -227.39 148.988 -72.7576 199.989 11.9648 -51.0379 PRESSAVG: 1150200 1.35308 -13.2596 40.198 -13.2596 -18.6624 -45.5487 40.198 -45.5486 42.4149 GPRESSAVG: 1150200 -0.204898 -11.702 39.0102 -13.4936 -17.8876 -46.6264 42.6276 -46.1734 43.361 TIMING: 1150200 CPU: 3340.82, 0.00289146/step Wall: 3340.82, 0.00289146/step, 3.09209 hours remaining, 204.222656 MB of memory in use. ENERGY: 1150200 751.4627 2056.3471 1968.3282 128.5522 -205987.8100 17575.4687 0.0000 0.0000 33988.7702 -149518.8810 296.8324 -183507.6511 -149411.8685 297.8229 -79.7422 -55.4068 557399.9056 8.3685 8.4229 PRESSURE: 1150400 -151.828 -10.9049 24.7061 -10.905 -199.841 10.039 24.7067 10.0376 -102.292 GPRESSURE: 1150400 -66.3206 -21.6626 -77.3293 -51.4456 -183.656 9.62301 41.3272 24.6672 -119.858 PRESSAVG: 1150400 -27.4745 23.264 5.53154 23.264 27.4386 -40.1664 5.53151 -40.1664 22.7262 GPRESSAVG: 1150400 -24.605 20.8437 7.2609 24.1603 26.3238 -40.6858 3.21937 -37.903 21.0339 TIMING: 1150400 CPU: 3341.39, 0.00288008/step Wall: 3341.39, 0.00288008/step, 3.07977 hours remaining, 204.222656 MB of memory in use. ENERGY: 1150400 738.7360 2022.9103 1958.3397 105.5333 -206051.0729 17789.6181 0.0000 0.0000 33974.8952 -149461.0404 296.7112 -183435.9356 -149366.7735 297.9805 -151.3201 -123.2780 559945.9434 7.5634 7.5842 PRESSURE: 1150600 20.2986 73.4573 -98.915 73.4563 -188.733 93.1092 -98.9151 93.1101 -203.571 GPRESSURE: 1150600 16.9394 87.6565 -90.099 87.8783 -159.244 84.3056 -199.352 99.4043 -143.124 PRESSAVG: 1150600 66.5536 13.3093 33.6457 13.3093 19.8113 -1.71345 33.6457 -1.71341 -51.9648 GPRESSAVG: 1150600 65.0718 13.5288 31.3897 12.1507 20.3401 -0.316344 34.7869 -4.31455 -50.5461 TIMING: 1150600 CPU: 3341.97, 0.00289584/step Wall: 3341.97, 0.00289584/step, 3.09646 hours remaining, 204.222656 MB of memory in use. ENERGY: 1150600 724.1565 2074.5464 1939.8461 101.2256 -206243.5759 17647.7559 0.0000 0.0000 34427.6063 -149328.4391 300.6648 -183756.0454 -149233.2813 298.9802 -124.0018 -95.1429 558989.4323 11.4667 11.6219 PRESSURE: 1150800 -80.3972 -26.8516 236.864 -26.8518 -76.0794 247.202 236.865 247.2 141.622 GPRESSURE: 1150800 -8.75573 7.21843 249.736 -68.9301 -33.4 242.89 250.787 204.287 123.607 PRESSAVG: 1150800 -1.69134 -47.1686 -3.76206 -47.1686 13.289 -16.9526 -3.76213 -16.9527 -9.02035 GPRESSAVG: 1150800 -1.51476 -48.7582 -2.00139 -47.6914 13.5138 -18.2706 -4.74643 -15.8148 -9.70715 TIMING: 1150800 CPU: 3342.55, 0.00290621/step Wall: 3342.55, 0.00290621/step, 3.10739 hours remaining, 204.222656 MB of memory in use. ENERGY: 1150800 746.8040 2046.0281 1957.8710 120.5337 -205839.5531 17702.5371 0.0000 0.0000 33961.1866 -149304.5925 296.5915 -183265.7791 -149206.8699 299.0260 -4.9516 27.1503 558945.3491 0.8591 0.7640 PRESSURE: 1151000 -98.0184 -0.353331 142.472 -0.354578 -59.9702 -89.9124 142.474 -89.9143 115.88 GPRESSURE: 1151000 -69.4548 52.6245 190.989 -74.5707 -54.8812 -1.60504 130.498 -86.6395 180.017 PRESSAVG: 1151000 30.2706 -1.89868 21.8568 -1.89864 -76.5681 -65.3634 21.8568 -65.3634 80.9911 GPRESSAVG: 1151000 29.1074 -0.405343 20.3743 -0.0115987 -75.0622 -62.9059 24.2576 -66.4547 81.4481 TIMING: 1151000 CPU: 3343.14, 0.00290352/step Wall: 3343.14, 0.00290352/step, 3.10434 hours remaining, 204.222656 MB of memory in use. ENERGY: 1151000 762.4389 2124.4607 1967.0153 119.7423 -206112.4699 17734.7390 0.0000 0.0000 34247.2895 -149156.7842 299.0901 -183404.0737 -149065.8713 298.6407 -14.0361 18.5604 556449.5612 11.5645 11.8311 PRESSURE: 1151200 190.959 -105.057 -155.708 -105.058 -144.195 6.13638 -155.708 6.13544 209.296 GPRESSURE: 1151200 233.323 -69.2812 -165.286 -159.793 -67.8893 -74.6361 -238.127 -8.12772 191.857 PRESSAVG: 1151200 65.4859 1.39493 -3.71392 1.39502 -20.9557 -43.902 -3.71387 -43.9018 -32.769 GPRESSAVG: 1151200 68.0953 1.17623 -3.37204 -0.412177 -23.0862 -46.2649 -3.46282 -44.9267 -32.9087 TIMING: 1151200 CPU: 3343.72, 0.00290529/step Wall: 3343.72, 0.00290529/step, 3.10607 hours remaining, 204.222656 MB of memory in use. ENERGY: 1151200 772.4004 2099.4526 1972.4796 116.2774 -206189.3320 18024.3874 0.0000 0.0000 34258.6348 -148945.6998 299.1892 -183204.3347 -148853.5745 299.3662 85.3531 119.0969 558340.9436 3.9204 4.0335 PRESSURE: 1151400 -80.7515 -81.8261 -39.3719 -81.8256 -150.154 44.9007 -39.3712 44.9016 378.453 GPRESSURE: 1151400 -26.9427 -120.419 -71.4074 -71.9117 -81.876 43.4858 -16.5288 65.5621 350.44 PRESSAVG: 1151400 -50.8525 6.09892 -43.2784 6.09897 -8.16876 -40.3154 -43.2784 -40.3154 59.7071 GPRESSAVG: 1151400 -50.6259 6.78725 -41.4551 7.05497 -7.35821 -41.4577 -45.9013 -37.7926 58.724 TIMING: 1151400 CPU: 3344.3, 0.00293961/step Wall: 3344.3, 0.00293961/step, 3.14261 hours remaining, 204.222656 MB of memory in use. ENERGY: 1151400 763.9730 2099.3357 1954.6655 108.0802 -206159.5123 17812.7774 0.0000 0.0000 34496.8073 -148923.8731 301.2692 -183420.6805 -148830.4999 299.4094 49.1826 80.5403 558228.5921 0.2286 0.2466 PRESSURE: 1151600 -97.1699 109.967 -13.9455 109.967 -78.8539 -17.6474 -13.9461 -17.6482 -63.4102 GPRESSURE: 1151600 -73.5124 87.9884 1.66577 50.8754 -53.4186 -9.19031 66.5368 23.6029 -7.85298 PRESSAVG: 1151600 1.128 -6.01068 11.772 -6.01072 -1.32713 0.793148 11.7719 0.793229 -20.8363 GPRESSAVG: 1151600 0.333833 -5.90099 10.0037 -7.37494 -1.87955 1.35936 14.8396 -0.247 -19.2279 TIMING: 1151600 CPU: 3344.89, 0.00290812/step Wall: 3344.89, 0.00290812/step, 3.10878 hours remaining, 204.222656 MB of memory in use. ENERGY: 1151600 734.9342 2127.3638 1933.0403 110.3853 -205969.5132 17646.3192 0.0000 0.0000 34302.4068 -149115.0635 299.5715 -183417.4703 -149006.8860 299.9370 -79.8113 -44.9280 556590.7313 -7.0118 -6.9245 PRESSURE: 1151800 329.434 188.407 -34.5506 188.408 31.4277 98.5719 -34.5508 98.5733 -91.0107 GPRESSURE: 1151800 346.023 104.052 -32.8397 94.695 59.7199 101.678 -12.5842 110.845 -44.6387 PRESSAVG: 1151800 -30.3914 -27.9778 5.95569 -27.9777 -5.76204 49.3388 5.95572 49.339 49.8173 GPRESSAVG: 1151800 -31.7841 -27.0269 7.78719 -27.4371 -4.57696 48.9778 5.43876 47.9995 49.7478 TIMING: 1151800 CPU: 3345.46, 0.0028739/step Wall: 3345.46, 0.0028739/step, 3.07204 hours remaining, 204.222656 MB of memory in use. ENERGY: 1151800 718.5818 2076.3875 1934.0288 126.8333 -206555.6449 18107.7238 0.0000 0.0000 34384.2049 -149207.8847 300.2858 -183592.0897 -149112.3414 299.9146 89.9503 120.3681 556529.2455 4.5546 4.4623 PRESSURE: 1152000 66.234 -11.3727 17.4853 -11.3728 -337.341 -206.436 17.4865 -206.436 -63.1379 GPRESSURE: 1152000 77.6375 -54.0523 -16.7656 32.0046 -305.772 -142.875 1.13113 -176.556 -6.29515 PRESSAVG: 1152000 -16.0597 -50.2573 -47.2769 -50.2573 -9.58535 12.4726 -47.2769 12.4727 25.3912 GPRESSAVG: 1152000 -15.4547 -50.0648 -46.9658 -50.4435 -8.4369 12.1668 -48.3965 14.2288 23.8807 TIMING: 1152000 CPU: 3346.03, 0.00287167/step Wall: 3346.03, 0.00287167/step, 3.06949 hours remaining, 204.222656 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: 1152000 726.4956 2091.1617 1989.9943 135.1065 -206394.4521 17813.2628 0.0000 0.0000 34516.8772 -149121.5539 301.4445 -183638.4311 -149023.1735 299.5554 -111.4149 -78.1433 558744.3482 -0.0846 -0.0036 PRESSURE: 1152200 185.398 2.44287 -151.456 2.44291 207.553 -112.564 -151.456 -112.565 7.3552 GPRESSURE: 1152200 258.142 -84.9639 -145.673 -26.4989 205.49 -66.9536 -147.213 -111.975 37.4 PRESSAVG: 1152200 87.3743 -14.7859 -14.3962 -14.786 -58.8823 -44.6461 -14.3962 -44.6462 -33.6679 GPRESSAVG: 1152200 87.1885 -16.9915 -14.4633 -13.08 -60.151 -44.6948 -16.2794 -43.685 -32.7063 TIMING: 1152200 CPU: 3346.61, 0.00289974/step Wall: 3346.61, 0.00289974/step, 3.09934 hours remaining, 204.222656 MB of memory in use. ENERGY: 1152200 724.0580 2114.7518 1972.8349 114.7302 -206415.1666 18109.9139 0.0000 0.0000 34319.1961 -149059.6818 299.7181 -183378.8778 -148972.2535 299.4916 133.4355 167.0107 558967.0780 -1.7253 -1.8896 LDB: ============= START OF LOAD BALANCING ============== 3350.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3350.08 LDB: =============== DONE WITH MIGRATION ================ 3350.08 LDB: ============= START OF LOAD BALANCING ============== 3350.37 LDB: Largest compute 4855 load 0.026687 is 22.7% of average load 0.117558 LDB: Average compute 0.001743 is 1.5% of average load 0.117558 LDB: TIME 3350.38 LOAD: AVG 0.117558 MAX 0.180664 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.016 MB LDB: TIME 3350.38 LOAD: AVG 0.117558 MAX 0.180663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.086 MB LDB: TIME 3350.38 LOAD: AVG 0.117558 MAX 0.180663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.086 MB LDB: ============== END OF LOAD BALANCING =============== 3350.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3350.38 PRESSURE: 1152400 -140.962 25.856 112.252 25.8553 -201.076 -23.8012 112.252 -23.8031 -4.83115 GPRESSURE: 1152400 -129.027 -4.52287 127.25 16.1637 -195.331 0.343663 80.5432 -3.61745 66.9614 PRESSAVG: 1152400 25.698 -45.7317 -36.2162 -45.7316 -40.6609 -58.9041 -36.2163 -58.9041 15.7111 GPRESSAVG: 1152400 26.3782 -44.4057 -38.2894 -45.6058 -39.2268 -57.4504 -35.5418 -59.9894 13.7586 TIMING: 1152400 CPU: 3347.21, 0.00296562/step Wall: 3347.21, 0.00296562/step, 3.16959 hours remaining, 205.261719 MB of memory in use. ENERGY: 1152400 761.4092 2108.0625 1928.9770 104.9700 -205908.0711 17697.6955 0.0000 0.0000 34149.2291 -149157.7277 298.2337 -183306.9568 -149059.9067 299.1890 -115.6230 -85.7987 558500.7503 0.2494 0.3033 PRESSURE: 1152600 -198.759 -130.811 253.336 -130.811 51.473 119.527 253.336 119.528 -21.7837 GPRESSURE: 1152600 -182.396 -205.416 194.567 -127.125 62.1674 84.9601 306.361 179.011 54.0743 PRESSAVG: 1152600 -33.799 9.21362 40.9567 9.2136 9.62713 -4.17342 40.9566 -4.1734 46.5226 GPRESSAVG: 1152600 -34.2479 9.15113 40.0003 8.05507 9.43986 -4.44507 43.1864 -2.84515 47.0149 TIMING: 1152600 CPU: 3347.79, 0.00290383/step Wall: 3347.79, 0.00290383/step, 3.10339 hours remaining, 205.460938 MB of memory in use. ENERGY: 1152600 750.0395 2131.0734 1974.2085 120.2015 -206368.9506 17628.4966 0.0000 0.0000 34425.7364 -149339.1947 300.6485 -183764.9312 -149238.2954 299.6243 -56.3567 -22.0515 555756.8956 7.4502 7.4023 PRESSURE: 1152800 112.743 27.8531 -7.04122 27.855 104.225 114.032 -7.04051 114.031 -37.3544 GPRESSURE: 1152800 172.711 71.6433 35.4128 23.7679 176.296 129.401 -39.0825 88.8361 -61.9176 PRESSAVG: 1152800 48.025 39.3421 18.0097 39.342 0.196837 47.0895 18.0097 47.0895 -25.4284 GPRESSAVG: 1152800 47.9526 40.2431 18.8799 38.8539 -0.83108 46.7536 17.1232 47.4504 -24.1903 TIMING: 1152800 CPU: 3348.37, 0.00291183/step Wall: 3348.37, 0.00291183/step, 3.11177 hours remaining, 205.460938 MB of memory in use. ENERGY: 1152800 739.2061 2112.5523 1973.3676 122.2777 -206208.0422 18043.5077 0.0000 0.0000 34094.8212 -149122.3097 297.7586 -183217.1309 -149027.5587 299.2554 59.8712 95.6965 557084.2026 7.5978 7.6437 PRESSURE: 1153000 76.0805 4.53318 68.3648 4.53275 111.792 84.8397 68.3651 84.8404 -37.1877 GPRESSURE: 1153000 68.9451 -36.024 91.1612 47.7171 143.267 72.5963 -12.8247 114.492 35.8014 PRESSAVG: 1153000 22.8581 12.7062 2.26652 12.7062 10.3005 44.9298 2.26652 44.9298 -33.8416 GPRESSAVG: 1153000 22.2311 11.3614 2.46425 12.5519 9.93686 45.7288 1.2918 44.5844 -32.4597 TIMING: 1153000 CPU: 3348.95, 0.00291019/step Wall: 3348.95, 0.00291019/step, 3.10986 hours remaining, 205.828125 MB of memory in use. ENERGY: 1153000 714.7212 2105.4897 1983.4262 123.2184 -206325.5909 17898.0234 0.0000 0.0000 34240.5609 -149260.1510 299.0313 -183500.7119 -149156.8393 298.8087 50.2283 82.6713 557055.8534 -0.2277 -0.0972 PRESSURE: 1153200 -95.9068 -145.77 81.5796 -145.771 105.857 187.77 81.5801 187.771 -120.647 GPRESSURE: 1153200 -83.2276 -109.192 79.3173 -89.4139 170.959 131.314 62.1568 197.751 -94.5198 PRESSAVG: 1153200 23.2847 21.232 -10.596 21.232 39.07 80.0516 -10.596 80.0517 -60.5382 GPRESSAVG: 1153200 23.487 22.5565 -7.43404 20.7391 41.3488 79.7212 -11.9839 79.943 -62.6426 TIMING: 1153200 CPU: 3349.53, 0.00290138/step Wall: 3349.53, 0.00290138/step, 3.10028 hours remaining, 205.828125 MB of memory in use. ENERGY: 1153200 730.4012 2050.9362 2004.0256 117.7661 -206104.4884 17771.6473 0.0000 0.0000 34086.3954 -149343.3167 297.6850 -183429.7121 -149247.9702 299.1677 -36.8990 -2.2628 557321.3859 0.6055 0.7311 PRESSURE: 1153400 -175.717 -209.82 36.2396 -209.819 22.5709 200.82 36.2397 200.82 14.8597 GPRESSURE: 1153400 -126.151 -145.874 127.582 -328.423 26.7484 148.565 -14.5566 199.132 54.5139 PRESSAVG: 1153400 -2.17904 -42.9819 -36.8779 -42.9818 9.00551 43.4729 -36.878 43.4729 -29.8257 GPRESSAVG: 1153400 -1.27486 -44.6025 -39.3832 -41.7912 7.61682 44.4622 -34.9514 42.6862 -29.2266 TIMING: 1153400 CPU: 3350.11, 0.0028888/step Wall: 3350.11, 0.0028888/step, 3.08669 hours remaining, 205.828125 MB of memory in use. ENERGY: 1153400 765.4534 2129.7611 1965.7862 118.5727 -206036.1276 17641.4404 0.0000 0.0000 34274.2399 -149140.8739 299.3255 -183415.1138 -149045.6727 298.8813 -46.0955 -14.9630 557129.0999 -7.6664 -7.6282 PRESSURE: 1153600 -55.6129 -25.0454 40.6219 -25.0456 73.5641 355.957 40.6202 355.957 158.458 GPRESSURE: 1153600 19.213 -36.8781 22.8532 -31.1697 111.475 306.588 27.2534 440.615 146.058 PRESSAVG: 1153600 2.84353 -22.7675 6.26692 -22.7675 12.7468 35.7799 6.26693 35.78 -49.2013 GPRESSAVG: 1153600 2.90327 -23.1609 5.93736 -21.5949 11.4776 36.2067 5.5355 34.9653 -48.5273 TIMING: 1153600 CPU: 3350.69, 0.00290158/step Wall: 3350.69, 0.00290158/step, 3.10018 hours remaining, 205.828125 MB of memory in use. ENERGY: 1153600 776.2976 2059.6627 1988.5743 121.3618 -206099.5689 17784.7871 0.0000 0.0000 34208.0285 -149160.8569 298.7472 -183368.8854 -149058.3217 299.7369 58.8030 92.2489 557247.4548 -11.2036 -11.3821 PRESSURE: 1153800 35.1608 -15.9439 -6.08213 -15.9442 27.3423 -12.0288 -6.08266 -12.0284 -86.2069 GPRESSURE: 1153800 91.1799 -16.8073 -11.4529 -19.5961 63.8926 41.9733 -30.9428 -56.1995 -72.3621 PRESSAVG: 1153800 37.5027 11.2734 33.8835 11.2734 -3.03257 -29.3121 33.8835 -29.3121 -43.0534 GPRESSAVG: 1153800 36.9534 11.5139 31.9502 9.93524 -0.951053 -30.6277 34.6615 -29.3014 -44.4496 TIMING: 1153800 CPU: 3351.27, 0.00289601/step Wall: 3351.27, 0.00289601/step, 3.09406 hours remaining, 205.828125 MB of memory in use. ENERGY: 1153800 756.5885 2082.2074 1976.9799 102.1766 -206219.7863 17834.2911 0.0000 0.0000 34321.0054 -149146.5373 299.7339 -183467.5427 -149052.6297 299.5121 -7.9013 27.5701 557462.5039 -2.8611 -2.8157 PRESSURE: 1154000 175.851 105.067 62.3991 105.068 172.656 -157.627 62.3998 -157.627 -118.43 GPRESSURE: 1154000 183.681 74.1671 24.4794 76.6408 165.955 -162.359 129.36 -99.0635 -40.423 PRESSAVG: 1154000 32.761 9.13837 7.73834 9.13839 44.938 -1.81527 7.73843 -1.81518 -10.5411 GPRESSAVG: 1154000 31.9103 10.4738 8.39617 7.88573 43.8993 -0.207722 8.71435 -2.14665 -8.73205 TIMING: 1154000 CPU: 3351.86, 0.00292279/step Wall: 3351.86, 0.00292279/step, 3.12251 hours remaining, 205.828125 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: 1154000 738.7634 2122.8761 1988.7263 108.3903 -206267.8450 18036.3353 0.0000 0.0000 34184.4342 -149088.3194 298.5412 -183272.7536 -148996.2155 299.5696 76.6923 103.0710 558931.9122 22.3860 22.3592 PRESSURE: 1154200 -145.03 137.587 121.85 137.588 56.257 15.3041 121.849 15.3032 326.689 GPRESSURE: 1154200 -60.5135 134.24 104.137 176.001 73.4771 51.9375 141.658 24.9729 315.811 PRESSAVG: 1154200 -21.6212 -9.9659 46.023 -9.96586 23.9342 16.3739 46.023 16.374 -33.1385 GPRESSAVG: 1154200 -21.7703 -9.79951 47.9117 -10.3615 22.6184 14.4383 44.4203 18.0132 -32.1437 TIMING: 1154200 CPU: 3352.43, 0.00288075/step Wall: 3352.43, 0.00288075/step, 3.07744 hours remaining, 205.828125 MB of memory in use. ENERGY: 1154200 765.7613 2076.4255 1979.0335 102.4105 -206194.9126 18060.7681 0.0000 0.0000 34033.2284 -149177.2855 297.2206 -183210.5138 -149078.4281 299.6176 79.3053 109.5914 560095.7907 -10.2751 -10.4319 PRESSURE: 1154400 -7.59762 57.6618 4.22377 57.6602 -72.1368 -53.1439 4.22541 -53.1463 -257.47 GPRESSURE: 1154400 -7.01618 66.3612 -63.9807 12.4353 -31.4048 -40.8995 3.49595 -90.6749 -205.361 PRESSAVG: 1154400 -85.7004 32.4463 -21.6258 32.4463 20.1092 -32.7663 -21.6258 -32.7661 29.1212 GPRESSAVG: 1154400 -85.2059 31.9396 -21.8502 34.1757 21.703 -32.8263 -21.2225 -32.4204 27.8788 TIMING: 1154400 CPU: 3353.02, 0.00293412/step Wall: 3353.02, 0.00293412/step, 3.13429 hours remaining, 205.828125 MB of memory in use. ENERGY: 1154400 758.0803 2084.3505 1957.9905 112.5033 -205800.3062 17641.6427 0.0000 0.0000 34211.3078 -149034.4310 298.7759 -183245.7388 -148936.9732 298.7649 -112.4014 -81.2607 559601.8366 -12.1567 -11.8747 PRESSURE: 1154600 -267.452 -37.4346 -39.3215 -37.434 -116.929 -45.6281 -39.3192 -45.6283 40.5876 GPRESSURE: 1154600 -290.92 -58.6787 -33.9909 -121.27 -58.8867 -71.7434 -75.6346 -43.7482 100.367 PRESSAVG: 1154600 -9.27451 -18.4694 28.463 -18.4694 -10.2971 12.7234 28.463 12.7234 -7.9247 GPRESSAVG: 1154600 -8.27664 -16.8767 27.4892 -20.381 -10.4698 13.7117 27.7346 11.1314 -8.88446 TIMING: 1154600 CPU: 3353.6, 0.00290091/step Wall: 3353.6, 0.00290091/step, 3.09866 hours remaining, 205.828125 MB of memory in use. ENERGY: 1154600 711.0272 2109.4310 1970.4686 115.1902 -205488.7660 17407.5747 0.0000 0.0000 34098.4329 -149076.6415 297.7901 -183175.0744 -148978.7446 299.4078 -114.5979 -83.1466 559431.1507 -9.1654 -9.2103 PRESSURE: 1154800 10.9039 59.7891 -177.064 59.7891 -146.387 61.8371 -177.064 61.8369 20.6762 GPRESSURE: 1154800 84.9306 5.81173 -210.315 89.548 -203.259 66.1447 -165.939 69.6071 98.3127 PRESSAVG: 1154800 24.6325 8.79312 11.3866 8.7931 -78.3302 -4.20507 11.3866 -4.20501 76.0195 GPRESSAVG: 1154800 23.1914 7.93419 11.6635 10.9065 -79.4881 -4.24126 12.0491 -4.87437 77.8454 TIMING: 1154800 CPU: 3354.18, 0.0029166/step Wall: 3354.18, 0.0029166/step, 3.11526 hours remaining, 205.828125 MB of memory in use. ENERGY: 1154800 752.4781 2118.7592 1981.2983 115.9815 -206065.0039 17837.9612 0.0000 0.0000 33982.3129 -149276.2128 296.7760 -183258.5256 -149180.9194 298.7732 -38.2689 -6.6717 558505.4275 7.4406 7.1829 PRESSURE: 1155000 -116.136 -50.8279 -46.1392 -50.8292 131.127 39.9721 -46.1401 39.972 -224.741 GPRESSURE: 1155000 -41.4702 -30.5323 25.4079 -30.0983 89.5907 -65.54 -47.8459 42.6629 -170.14 PRESSAVG: 1155000 -17.6626 14.2936 -8.38014 14.2935 -101.298 -1.19038 -8.38012 -1.19042 17.3741 GPRESSAVG: 1155000 -17.1112 14.8911 -8.98409 13.0873 -99.825 -1.72844 -7.24148 -1.07964 15.4664 TIMING: 1155000 CPU: 3354.76, 0.00290416/step Wall: 3354.76, 0.00290416/step, 3.1018 hours remaining, 205.828125 MB of memory in use. ENERGY: 1155000 763.0648 2082.5729 1966.5360 118.8823 -206104.9227 17757.2014 0.0000 0.0000 34238.5064 -149178.1589 299.0134 -183416.6653 -149081.0845 299.0355 -69.9168 -40.6730 557787.6196 -33.8620 -33.8232 PRESSURE: 1155200 -74.0438 52.8895 67.8366 52.889 -53.4878 23.4015 67.8375 23.4015 -106.104 GPRESSURE: 1155200 -25.034 99.1661 1.84901 -32.0198 -69.8349 -72.2811 85.3767 4.75889 -44.9246 PRESSAVG: 1155200 91.1113 -39.2803 57.9803 -39.2802 -53.7464 -0.506089 57.9803 -0.506137 -49.5519 GPRESSAVG: 1155200 92.0437 -41.013 58.2437 -38.4386 -54.9886 1.79358 57.6898 -1.81104 -48.6137 TIMING: 1155200 CPU: 3355.34, 0.00290205/step Wall: 3355.34, 0.00290205/step, 3.09939 hours remaining, 205.828125 MB of memory in use. ENERGY: 1155200 752.4497 2150.4730 1989.0928 104.9998 -206229.3995 17763.6236 0.0000 0.0000 34277.9015 -149190.8592 299.3574 -183468.7607 -149102.0562 299.6123 -77.8787 -46.5979 558127.1708 -4.0623 -3.8529 PRESSURE: 1155400 53.2501 -148.652 -114.1 -148.652 -14.6156 -13.3546 -114.098 -13.3554 67.0853 GPRESSURE: 1155400 123.449 -77.9206 -70.9453 -159.111 26.6316 20.9558 -164.958 10.2806 52.7751 PRESSAVG: 1155400 2.50028 -38.1002 9.26219 -38.1002 3.35475 26.0947 9.26221 26.0946 -32.5892 GPRESSAVG: 1155400 1.06035 -38.6214 8.26032 -35.4224 3.79117 23.1935 10.7335 27.8647 -31.4057 TIMING: 1155400 CPU: 3355.92, 0.00290559/step Wall: 3355.92, 0.00290559/step, 3.10301 hours remaining, 205.828125 MB of memory in use. ENERGY: 1155400 732.9484 2084.7636 1976.1025 121.3881 -206349.4350 17976.1953 0.0000 0.0000 34205.5465 -149252.4905 298.7255 -183458.0371 -149160.3729 299.4202 35.2399 67.6186 558080.0929 -8.9114 -8.8514 PRESSURE: 1155600 -120.807 -70.0402 -158.999 -70.0377 -113.951 40.1455 -159.001 40.1467 -303.785 GPRESSURE: 1155600 -80.2102 -62.5932 -84.8692 -47.0828 -110.587 67.224 -200.112 22.0986 -246.996 PRESSAVG: 1155600 38.3636 -50.288 -17.1604 -50.288 -35.546 -61.3441 -17.1606 -61.3441 23.1293 GPRESSAVG: 1155600 37.1046 -47.7346 -15.775 -51.4109 -34.7515 -60.7786 -17.7135 -60.9792 23.3826 TIMING: 1155600 CPU: 3356.5, 0.00289176/step Wall: 3356.5, 0.00289176/step, 3.08808 hours remaining, 205.828125 MB of memory in use. ENERGY: 1155600 760.3015 2090.4999 1991.3009 110.0983 -206030.5151 17529.5685 0.0000 0.0000 34315.5275 -149233.2184 299.6860 -183548.7459 -149137.3227 298.6516 -179.5144 -145.9311 557807.3749 8.6490 8.5786 PRESSURE: 1155800 -3.6252 -54.6589 116.663 -54.6601 -198.674 103.037 116.664 103.038 11.4077 GPRESSURE: 1155800 -38.8119 -7.35802 97.0823 -61.569 -129.879 160.046 186.872 87.7864 62.658 PRESSAVG: 1155800 -15.1325 -6.86186 23.064 -6.86192 -6.80494 98.9476 23.064 98.9476 46.599 GPRESSAVG: 1155800 -13.9655 -7.39746 23.4637 -7.83861 -7.84761 98.6959 22.7154 98.8563 46.5777 TIMING: 1155800 CPU: 3357.08, 0.00288424/step Wall: 3357.08, 0.00288424/step, 3.07988 hours remaining, 205.828125 MB of memory in use. ENERGY: 1155800 746.4121 2119.7762 1982.1569 118.6420 -206076.0325 17679.9095 0.0000 0.0000 33994.8286 -149434.3072 296.8853 -183429.1358 -149337.3032 298.4181 -63.6304 -35.3443 558088.5845 8.2205 8.2549 PRESSURE: 1156000 85.0358 -22.8992 81.3497 -22.8982 27.9395 -78.1191 81.349 -78.1199 83.9895 GPRESSURE: 1156000 115.948 -73.9028 68.4006 36.0112 81.1082 -97.2834 21.9643 -56.9145 87.2165 PRESSAVG: 1156000 -64.7953 -55.8556 22.4594 -55.8555 15.3182 -46.6898 22.4594 -46.6898 35.2553 GPRESSAVG: 1156000 -63.5315 -56.9266 21.4614 -53.9634 14.5433 -43.8229 20.5663 -46.709 34.6693 TIMING: 1156000 CPU: 3357.66, 0.00291736/step Wall: 3357.66, 0.00291736/step, 3.11509 hours remaining, 205.828125 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: 1156000 735.5770 2058.5581 1959.9503 123.7601 -205851.8304 17741.3563 0.0000 0.0000 33894.9205 -149337.7082 296.0128 -183232.6287 -149239.2196 297.8069 65.6549 94.7575 557619.0647 -4.7406 -4.7730 PRESSURE: 1156200 -117.871 83.2395 85.6515 83.2404 -195.614 247.643 85.6521 247.645 151.358 GPRESSURE: 1156200 -46.8879 88.3522 139.668 57.586 -135.769 262.075 142.327 248.909 116.884 PRESSAVG: 1156200 2.70757 10.3922 -15.7983 10.3921 -58.064 23.4258 -15.7982 23.4259 35.1307 GPRESSAVG: 1156200 1.79462 8.28318 -16.3617 10.4347 -56.1297 23.8297 -15.2477 20.9289 34.4587 TIMING: 1156200 CPU: 3358.25, 0.00291283/step Wall: 3358.25, 0.00291283/step, 3.11009 hours remaining, 205.828125 MB of memory in use. ENERGY: 1156200 723.5906 2112.9816 1958.4512 108.8185 -206198.8920 17800.0006 0.0000 0.0000 34379.8085 -149115.2409 300.2474 -183495.0494 -149020.7768 298.8812 -54.0426 -21.9243 558241.3388 -6.7419 -6.6255 LDB: ============= START OF LOAD BALANCING ============== 3361.71 LDB: ============== END OF LOAD BALANCING =============== 3361.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3361.71 LDB: ============= START OF LOAD BALANCING ============== 3362 LDB: Largest compute 4855 load 0.027393 is 23.3% of average load 0.117603 LDB: Average compute 0.001742 is 1.5% of average load 0.117603 LDB: TIME 3362 LOAD: AVG 0.117603 MAX 0.178141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.652 MB LDB: TIME 3362 LOAD: AVG 0.117603 MAX 0.178141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.652 MB LDB: TIME 3362 LOAD: AVG 0.117603 MAX 0.178141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.652 MB LDB: ============== END OF LOAD BALANCING =============== 3362.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3362.01 PRESSURE: 1156400 190.719 18.2832 -104.281 18.2829 7.9561 72.8939 -104.279 72.8935 -130.217 GPRESSURE: 1156400 239.205 77.866 -83.4772 -11.5609 23.3658 -40.8742 -61.5198 216.669 -107.242 PRESSAVG: 1156400 19.6662 -10.6944 -52.3981 -10.6945 -4.57942 -18.2968 -52.3982 -18.2968 -8.01613 GPRESSAVG: 1156400 20.7383 -7.63131 -49.4863 -13.5619 -6.33041 -21.4774 -52.6254 -14.7726 -6.57106 TIMING: 1156400 CPU: 3358.84, 0.0029502/step Wall: 3358.84, 0.0029502/step, 3.14983 hours remaining, 203.683594 MB of memory in use. ENERGY: 1156400 768.9770 2023.8301 1966.2791 112.6454 -206086.4795 17971.4186 0.0000 0.0000 34263.6506 -148979.6787 299.2330 -183243.3293 -148882.0620 299.6122 22.8195 51.7763 558738.7408 2.3569 2.6123 PRESSURE: 1156600 26.2215 -46.3135 -74.3469 -46.3132 134.51 -21.0904 -74.3474 -21.0899 0.618135 GPRESSURE: 1156600 85.1881 -61.2703 -27.9298 -13.636 136.949 -115.313 -154.247 39.7256 25.3899 PRESSAVG: 1156600 -16.1073 -70.6395 -10.4865 -70.6395 7.5795 37.0208 -10.4864 37.0209 6.22834 GPRESSAVG: 1156600 -15.6773 -70.8754 -11.0728 -68.2898 7.92694 38.6118 -11.0445 37.0305 5.54243 TIMING: 1156600 CPU: 3359.41, 0.00289437/step Wall: 3359.41, 0.00289437/step, 3.09006 hours remaining, 203.683594 MB of memory in use. ENERGY: 1156600 747.7806 2029.6606 1967.6729 117.5786 -205897.3961 17823.2516 0.0000 0.0000 34143.2844 -149068.1674 298.1818 -183211.4518 -148975.2043 299.8541 53.7833 82.5090 559108.8351 -0.7665 -0.7360 PRESSURE: 1156800 178.476 62.8607 41.0318 62.8599 49.7668 -47.3487 41.0324 -47.347 -174.638 GPRESSURE: 1156800 173.414 125.02 -5.96528 47.8618 69.9795 35.089 56.2742 -111.511 -94.5012 PRESSAVG: 1156800 -69.6742 8.84202 -14.399 8.84196 42.6593 51.8962 -14.3991 51.8962 33.7823 GPRESSAVG: 1156800 -70.8006 7.36656 -14.8719 9.55592 44.0795 52.2429 -13.8576 50.3656 33.6456 TIMING: 1156800 CPU: 3360, 0.00291879/step Wall: 3360, 0.00291879/step, 3.11597 hours remaining, 203.683594 MB of memory in use. ENERGY: 1156800 703.7737 2090.0196 1968.8229 114.7987 -205891.7325 17801.1447 0.0000 0.0000 34171.7321 -149041.4408 298.4302 -183213.1729 -148944.4902 299.5850 17.8684 49.6309 559204.2672 2.2558 2.3082 PRESSURE: 1157000 -117.408 -87.5892 -25.3337 -87.5894 -120.963 12.9372 -25.3342 12.939 246.675 GPRESSURE: 1157000 -170.584 -115.285 -40.6996 -103.771 -43.8967 87.0693 -40.1262 -86.2666 325.811 PRESSAVG: 1157000 8.49685 -14.1053 3.67558 -14.1053 35.869 -0.237838 3.67552 -0.237846 -54.5243 GPRESSAVG: 1157000 8.66044 -14.7568 2.03751 -16.0011 35.599 -1.35588 3.54881 0.169716 -53.6286 TIMING: 1157000 CPU: 3360.58, 0.00290386/step Wall: 3360.58, 0.00290386/step, 3.09987 hours remaining, 203.683594 MB of memory in use. ENERGY: 1157000 749.7769 1982.7733 1958.1863 96.8771 -205851.9052 17492.0584 0.0000 0.0000 34480.7639 -149091.4693 301.1291 -183572.2332 -148989.2164 300.0111 2.7680 37.1102 557066.8958 -3.3861 -3.1231 PRESSURE: 1157200 34.7062 -114.169 23.974 -114.169 268.682 -95.254 23.9734 -95.2537 -345.328 GPRESSURE: 1157200 27.309 -199.957 47.663 -77.4529 284.812 -57.7619 102.998 -143.921 -266.237 PRESSAVG: 1157200 18.093 -21.6913 2.13763 -21.6913 27.1514 0.202966 2.13761 0.202965 -37.8898 GPRESSAVG: 1157200 18.5139 -20.9666 3.18753 -21.6005 27.0719 0.89432 3.20799 0.524389 -37.9375 TIMING: 1157200 CPU: 3361.16, 0.00290151/step Wall: 3361.16, 0.00290151/step, 3.0972 hours remaining, 203.683594 MB of memory in use. ENERGY: 1157200 792.5849 2113.3351 1960.1917 106.9447 -206212.4358 17872.0264 0.0000 0.0000 34192.9639 -149174.3891 298.6157 -183367.3530 -149079.2342 299.1533 -13.9800 15.2947 556349.6763 2.4515 2.5494 PRESSURE: 1157400 87.3322 134.513 -39.528 134.513 -76.5918 33.8899 -39.5287 33.8894 7.50754 GPRESSURE: 1157400 147.959 69.4823 -115.689 161.323 -61.973 3.09638 -27.2624 43.4128 29.243 PRESSAVG: 1157400 3.07967 -4.918 -3.93459 -4.91803 33.4999 -25.4165 -3.93466 -25.4165 22.2951 GPRESSAVG: 1157400 4.28155 -6.09548 -2.08052 -1.95137 33.4864 -25.1502 -5.12226 -26.8659 21.1046 TIMING: 1157400 CPU: 3361.74, 0.00291752/step Wall: 3361.74, 0.00291752/step, 3.11413 hours remaining, 203.683594 MB of memory in use. ENERGY: 1157400 751.9297 2089.4130 1941.6145 122.6049 -206106.6288 17726.6266 0.0000 0.0000 34288.9942 -149185.4459 299.4543 -183474.4401 -149090.5467 298.2721 6.0826 38.4098 557251.4731 19.6249 19.6242 PRESSURE: 1157600 65.4038 51.0227 143.497 51.0239 17.6943 -82.2319 143.497 -82.2325 -171.832 GPRESSURE: 1157600 96.5581 72.8665 112.735 115.805 35.2103 11.4423 212.659 -100.63 -131.23 PRESSAVG: 1157600 11.9012 14.3917 19.333 14.3917 -39.8608 23.2729 19.3328 23.273 1.4144 GPRESSAVG: 1157600 11.1178 14.3004 18.5081 11.367 -40.8705 21.726 18.5903 27.1875 2.84055 TIMING: 1157600 CPU: 3362.32, 0.0028988/step Wall: 3362.32, 0.0028988/step, 3.09398 hours remaining, 203.886719 MB of memory in use. ENERGY: 1157600 735.2674 2077.6266 1971.1929 109.6137 -206196.8193 17877.8391 0.0000 0.0000 34035.0505 -149390.2291 297.2366 -183425.2795 -149300.7996 299.0760 -29.5779 0.1795 558124.6092 -8.8484 -8.9707 PRESSURE: 1157800 -265.691 -62.081 109.902 -62.0805 -146.082 -61.0962 109.903 -61.0951 -178.013 GPRESSURE: 1157800 -220.025 -79.485 105.763 -93.4668 -101.294 -35.4579 14.5348 -99.0363 -179.803 PRESSAVG: 1157800 8.98495 -9.13394 79.1681 -9.13394 1.07101 -16.8095 79.168 -16.8093 -39.7481 GPRESSAVG: 1157800 10.368 -5.84907 78.96 -9.6688 0.796482 -14.249 80.7844 -21.3977 -40.9076 TIMING: 1157800 CPU: 3362.9, 0.00289305/step Wall: 3362.9, 0.00289305/step, 3.08768 hours remaining, 203.886719 MB of memory in use. ENERGY: 1157800 768.1929 2073.6598 1971.6777 117.9628 -206269.3112 17613.4708 0.0000 0.0000 34358.1902 -149366.1570 300.0586 -183724.3472 -149274.0069 298.9510 -196.5953 -167.0405 558090.2546 -9.8974 -9.9144 PRESSURE: 1158000 282.081 165.956 -53.7417 165.954 183.045 -142.376 -53.7422 -142.376 223.38 GPRESSURE: 1158000 318.381 106.816 42.2528 176.733 254.866 -202.223 44.8447 -128.811 219.412 PRESSAVG: 1158000 19.0419 46.9909 -16.4511 46.9907 -9.71197 41.0942 -16.4512 41.0943 -10.0623 GPRESSAVG: 1158000 17.8 44.2852 -16.2963 48.3094 -8.29866 39.2742 -15.6149 44.3471 -10.2845 TIMING: 1158000 CPU: 3363.48, 0.00290315/step Wall: 3363.48, 0.00290315/step, 3.09831 hours remaining, 203.886719 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: 1158000 696.7493 2112.5137 1939.9172 103.9968 -206559.9965 18201.0080 0.0000 0.0000 34052.4954 -149453.3161 297.3889 -183505.8115 -149353.5523 298.5943 229.5022 264.2194 557917.2219 -0.2441 -0.2611 PRESSURE: 1158200 -11.9238 77.1603 -74.4145 77.1596 -47.9568 64.857 -74.4156 64.8573 -118.453 GPRESSURE: 1158200 10.1458 -45.4849 31.1727 131.492 -66.9871 80.1194 -56.1869 114.042 -40.0735 PRESSAVG: 1158200 28.6485 -47.3661 -25.7191 -47.3661 11.7292 13.4662 -25.7191 13.4662 4.53046 GPRESSAVG: 1158200 28.8766 -45.2371 -25.6635 -46.3402 10.7764 13.5812 -27.5637 13.4392 4.6047 TIMING: 1158200 CPU: 3364.06, 0.00291053/step Wall: 3364.06, 0.00291053/step, 3.10602 hours remaining, 203.886719 MB of memory in use. ENERGY: 1158200 750.7312 2101.8720 1921.9392 99.9406 -206286.1279 17758.1017 0.0000 0.0000 34085.2654 -149568.2776 297.6751 -183653.5431 -149475.7032 298.4737 -59.4445 -32.3049 557135.0232 14.9694 14.7526 PRESSURE: 1158400 -43.8489 124.809 107.356 124.811 -0.0738616 -32.588 107.355 -32.5879 68.9567 GPRESSURE: 1158400 10.1425 90.7478 100.281 102.545 22.8515 24.1105 37.3942 -105.391 95.0454 PRESSAVG: 1158400 -27.2188 -9.88307 -2.61372 -9.88307 52.7394 17.3466 -2.6137 17.3465 -19.3494 GPRESSAVG: 1158400 -27.8784 -11.713 -2.48812 -9.44207 53.2136 15.5725 -2.10501 16.9219 -18.9633 TIMING: 1158400 CPU: 3364.65, 0.00291237/step Wall: 3364.65, 0.00291237/step, 3.10782 hours remaining, 203.886719 MB of memory in use. ENERGY: 1158400 724.1261 2085.8419 1986.3423 121.7849 -206209.3687 17646.3662 0.0000 0.0000 34346.2238 -149298.6834 299.9541 -183644.9072 -149199.0918 298.3279 8.3447 42.6798 557760.2166 2.0571 2.1239 PRESSURE: 1158600 31.1256 53.7413 -30.8708 53.7423 231.746 -174.337 -30.8712 -174.337 -47.9171 GPRESSURE: 1158600 75.0774 53.4117 -13.7478 -56.22 254.042 -175.313 -4.3783 -141.902 -14.1605 PRESSAVG: 1158600 5.01699 -12.426 32.1551 -12.426 36.0344 -53.1769 32.155 -53.1769 -39.3322 GPRESSAVG: 1158600 3.77617 -12.2794 32.6397 -14.169 35.4341 -53.0231 30.087 -51.4092 -37.7134 TIMING: 1158600 CPU: 3365.23, 0.00291665/step Wall: 3365.23, 0.00291665/step, 3.11223 hours remaining, 203.945312 MB of memory in use. ENERGY: 1158600 718.3062 2072.9616 1962.1256 119.6851 -206240.2405 17851.1631 0.0000 0.0000 34143.5735 -149372.4254 298.1843 -183515.9989 -149281.8234 298.7227 71.6515 104.9863 558417.1738 0.5731 0.4990 PRESSURE: 1158800 -252.075 1.66226 138.362 1.66309 -296.546 15.2142 138.363 15.2131 -187.384 GPRESSURE: 1158800 -195.62 -10.028 120.966 46.717 -317.146 15.7326 128.498 -9.51974 -121.271 PRESSAVG: 1158800 -28.8196 6.98461 24.3102 6.98472 13.9766 -57.1633 24.3102 -57.1632 -18.7602 GPRESSAVG: 1158800 -28.8697 5.67256 23.6783 7.72415 15.1354 -55.6721 24.9587 -59.3739 -19.613 TIMING: 1158800 CPU: 3365.81, 0.00290758/step Wall: 3365.81, 0.00290758/step, 3.10239 hours remaining, 203.945312 MB of memory in use. ENERGY: 1158800 753.7550 2043.4729 1949.4039 114.8742 -205847.1015 17474.6946 0.0000 0.0000 34034.4795 -149476.4214 297.2316 -183510.9009 -149380.9098 298.2543 -245.3351 -211.3457 558119.2493 -11.2011 -11.1158 PRESSURE: 1159000 99.0696 -26.6476 27.0202 -26.6483 89.2236 23.4568 27.0212 23.4583 -132.121 GPRESSURE: 1159000 92.6777 -38.3615 -2.68636 -53.4706 122.716 29.3466 5.126 34.1022 -73.638 PRESSAVG: 1159000 22.9721 12.2543 -54.2156 12.2543 5.11796 -51.4427 -54.2155 -51.4428 25.158 GPRESSAVG: 1159000 23.0813 14.5243 -55.7109 11.1791 4.83435 -50.8007 -54.2725 -52.1907 24.8217 TIMING: 1159000 CPU: 3366.39, 0.00288632/step Wall: 3366.39, 0.00288632/step, 3.07954 hours remaining, 203.945312 MB of memory in use. ENERGY: 1159000 764.8756 2070.7312 1943.4886 129.2108 -206347.2626 17791.8036 0.0000 0.0000 34269.6696 -149377.4833 299.2855 -183647.1529 -149277.8757 298.4612 18.7240 47.2520 556987.4396 17.7493 17.5791 PRESSURE: 1159200 167.164 10.5012 -71.7075 10.5018 230.428 186.263 -71.7071 186.263 191.005 GPRESSURE: 1159200 205.007 42.873 -65.8206 29.0222 234.655 251.775 -52.2044 106.118 219.369 PRESSAVG: 1159200 -69.5954 -24.1386 -59.3307 -24.1386 23.9625 37.7325 -59.3308 37.7324 18.9976 GPRESSAVG: 1159200 -68.8748 -25.2849 -57.2357 -24.1564 22.8978 34.9574 -59.1702 38.8909 18.5923 TIMING: 1159200 CPU: 3366.97, 0.00290025/step Wall: 3366.97, 0.00290025/step, 3.09424 hours remaining, 204.050781 MB of memory in use. ENERGY: 1159200 737.2075 2098.4386 1942.9195 113.5209 -206781.5390 18136.2498 0.0000 0.0000 34258.1569 -149495.0458 299.1850 -183753.2027 -149395.3055 298.2826 196.1988 219.6767 556343.9138 -8.8784 -9.1282 PRESSURE: 1159400 -3.72484 -115.398 -72.4045 -115.397 94.2489 33.0959 -72.4037 33.0961 -58.1834 GPRESSURE: 1159400 76.9021 -84.4005 39.0075 -67.1057 110.132 63.9646 -72.2157 -30.7544 -65.2149 PRESSAVG: 1159400 35.826 10.8458 -4.56603 10.8459 -21.3732 66.4007 -4.56595 66.4007 14.8334 GPRESSAVG: 1159400 36.9255 13.4726 -5.54858 10.3232 -22.1498 68.238 -3.88963 65.2236 14.9961 TIMING: 1159400 CPU: 3367.55, 0.00289466/step Wall: 3367.55, 0.00289466/step, 3.08812 hours remaining, 204.050781 MB of memory in use. ENERGY: 1159400 718.3311 2114.4768 1948.2554 107.6092 -206770.1151 18090.9141 0.0000 0.0000 34205.2941 -149585.2345 298.7233 -183790.5285 -149488.2071 298.9567 10.7802 40.6066 557828.8030 9.7621 9.9239 PRESSURE: 1159600 181.484 67.0985 94.4441 67.0985 211.008 -107.393 94.4448 -107.394 55.9323 GPRESSURE: 1159600 177.445 18.1967 78.6274 97.5291 253.998 -120.214 91.4706 -62.1738 114.58 PRESSAVG: 1159600 33.0872 15.2476 78.4874 15.2475 77.413 -37.557 78.4875 -37.5569 -54.2198 GPRESSAVG: 1159600 31.3095 13.4653 76.1732 16.6916 78.0488 -36.7906 79.7284 -36.0519 -52.9047 TIMING: 1159600 CPU: 3368.13, 0.00292388/step Wall: 3368.13, 0.00292388/step, 3.11913 hours remaining, 204.050781 MB of memory in use. ENERGY: 1159600 738.6395 2065.8703 1959.5444 111.5479 -207042.3823 18365.1065 0.0000 0.0000 34366.7838 -149434.8899 300.1337 -183801.6738 -149338.2630 298.6150 149.4748 182.0076 558867.9128 18.7601 18.8179 PRESSURE: 1159800 231.665 121.131 -149.536 121.129 46.8822 -184.432 -149.536 -184.43 286.45 GPRESSURE: 1159800 261.076 154.29 -143.898 68.7138 140.551 -194.581 -131.089 -203.083 256.233 PRESSAVG: 1159800 -34.6678 34.2822 15.5345 34.2823 50.5214 -42.9961 15.5345 -42.996 -17.1162 GPRESSAVG: 1159800 -34.3686 35.1341 19.1107 32.7895 51.8664 -43.067 13.4486 -43.268 -18.2573 TIMING: 1159800 CPU: 3368.72, 0.00294058/step Wall: 3368.72, 0.00294058/step, 3.13678 hours remaining, 204.050781 MB of memory in use. ENERGY: 1159800 701.7296 2092.2169 1982.1290 105.7014 -206736.3355 18347.1498 0.0000 0.0000 34157.3312 -149350.0775 298.3045 -183507.4087 -149258.6605 299.3936 188.3322 219.2869 558773.2827 -0.4209 -0.2532 PRESSURE: 1160000 -89.283 55.8802 94.6055 55.88 -36.202 -70.2403 94.6059 -70.2394 -222.336 GPRESSURE: 1160000 -100.058 143.929 96.1197 85.1457 -29.3306 -76.5693 128.547 -33.2742 -126.724 PRESSAVG: 1160000 22.7542 30.1795 -15.6407 30.1796 -47.4614 -54.8955 -15.6408 -54.8956 68.1393 GPRESSAVG: 1160000 22.1128 31.3995 -18.4592 29.5715 -48.1136 -55.7274 -13.85 -54.0422 68.6962 TIMING: 1160000 CPU: 3369.3, 0.00291476/step Wall: 3369.3, 0.00291476/step, 3.10908 hours remaining, 204.050781 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: 1160000 763.7900 2053.9444 1964.0083 103.2427 -206543.1333 17876.4801 0.0000 0.0000 34249.7899 -149531.8780 299.1119 -183781.6679 -149433.4114 298.7195 -115.9402 -85.3710 558080.7349 14.4774 14.2318 PRESSURE: 1160200 -165.668 -35.159 -83.4814 -35.1585 -177.406 33.4268 -83.4817 33.4272 169.333 GPRESSURE: 1160200 -133.339 -84.8495 -176.64 -74.3376 -112.126 46.3227 -24.6586 77.0716 165.794 PRESSAVG: 1160200 -42.8356 -24.8817 81.8002 -24.8818 -3.54714 -33.0856 81.8001 -33.0856 39.58 GPRESSAVG: 1160200 -41.8918 -25.9023 83.267 -24.8321 -4.92142 -34.3561 81.2218 -33.1613 39.6526 TIMING: 1160200 CPU: 3369.89, 0.0029131/step Wall: 3369.89, 0.0029131/step, 3.10715 hours remaining, 204.050781 MB of memory in use. ENERGY: 1160200 721.4172 2059.3855 2007.9865 119.5159 -206300.6743 17814.2272 0.0000 0.0000 33978.7052 -149599.4369 296.7445 -183578.1421 -149501.9399 298.5893 -57.9137 -26.5567 557635.3797 -2.2676 -2.3869 LDB: ============= START OF LOAD BALANCING ============== 3373.35 LDB: ============== END OF LOAD BALANCING =============== 3373.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3373.35 LDB: ============= START OF LOAD BALANCING ============== 3373.65 LDB: Largest compute 4821 load 0.025587 is 21.8% of average load 0.117582 LDB: Average compute 0.001737 is 1.5% of average load 0.117582 LDB: TIME 3373.65 LOAD: AVG 0.117582 MAX 0.177277 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.75 MB LDB: TIME 3373.65 LOAD: AVG 0.117582 MAX 0.177277 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: TIME 3373.65 LOAD: AVG 0.117582 MAX 0.177277 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: ============== END OF LOAD BALANCING =============== 3373.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3373.65 PRESSURE: 1160400 -241.456 62.7949 -0.60976 62.7946 -280.401 132.222 -0.609759 132.222 -265.119 GPRESSURE: 1160400 -232.973 26.823 19.2587 106.4 -207.28 132.353 87.7424 108.78 -253.467 PRESSAVG: 1160400 -14.7957 -9.18523 -29.7387 -9.18516 -5.10534 -5.31958 -29.7386 -5.31961 9.39842 GPRESSAVG: 1160400 -15.9109 -9.39026 -31.1706 -6.97513 -3.82454 -5.01099 -29.377 -5.99107 9.03165 TIMING: 1160400 CPU: 3370.48, 0.00297084/step Wall: 3370.48, 0.00297084/step, 3.16857 hours remaining, 205.003906 MB of memory in use. ENERGY: 1160400 758.2097 2050.9266 1986.7098 110.4816 -206171.1712 17476.1630 0.0000 0.0000 34222.8365 -149565.8441 298.8765 -183788.6806 -149467.0699 298.1659 -262.3252 -231.2398 558384.7543 -3.5009 -3.5679 PRESSURE: 1160600 -60.0221 59.9215 -195.756 59.9213 -282.739 -102.056 -195.755 -102.056 -33.1283 GPRESSURE: 1160600 28.5478 -76.9148 -230.799 94.5736 -292.091 -189.464 -205.313 -68.5956 -9.69688 PRESSAVG: 1160600 -40.1514 2.38687 28.4812 2.38688 36.597 12.4354 28.4812 12.4354 -7.84152 GPRESSAVG: 1160600 -39.31 1.27059 28.1773 2.80306 35.1638 12.5502 28.8486 11.6344 -7.80251 TIMING: 1160600 CPU: 3371.07, 0.00293183/step Wall: 3371.07, 0.00293183/step, 3.12679 hours remaining, 205.207031 MB of memory in use. ENERGY: 1160600 736.5589 2079.3220 1966.5308 109.2089 -206444.7367 17884.9444 0.0000 0.0000 34042.9784 -149625.1933 297.3058 -183668.1717 -149526.5070 297.9638 -125.2965 -91.0800 558822.7907 -3.7986 -3.9829 PRESSURE: 1160800 81.7913 372.378 -96.8012 372.379 53.2846 108.822 -96.8003 108.818 215.036 GPRESSURE: 1160800 171.268 335.46 -124.718 316.555 62.1945 102.191 -57.9827 150.09 208.576 PRESSAVG: 1160800 -75.0887 60.4497 -75.7747 60.4497 24.1193 -27.612 -75.7747 -27.6119 -7.69059 GPRESSAVG: 1160800 -74.9371 62.266 -74.4776 59.394 24.3733 -27.3632 -75.1196 -27.1428 -8.38353 TIMING: 1160800 CPU: 3371.65, 0.00290429/step Wall: 3371.65, 0.00290429/step, 3.09726 hours remaining, 205.207031 MB of memory in use. ENERGY: 1160800 731.6933 2090.5804 1963.6089 117.3804 -206738.1580 18126.1401 0.0000 0.0000 34114.7083 -149594.0466 297.9322 -183708.7549 -149495.0279 298.0157 116.7040 147.3464 556882.4720 -19.5533 -19.6491 PRESSURE: 1161000 104.619 -14.6174 27.3256 -14.6175 -92.4603 2.59366 27.325 2.59302 159.867 GPRESSURE: 1161000 176.99 -36.2594 10.2875 75.7203 -87.4462 -41.6714 20.5317 -2.85572 194.08 PRESSAVG: 1161000 11.9315 42.9641 7.17743 42.9641 -74.6457 -15.0383 7.17744 -15.0382 39.1258 GPRESSAVG: 1161000 11.1809 40.3443 7.85919 45.2782 -72.7241 -15.3236 5.08213 -13.0314 38.6241 TIMING: 1161000 CPU: 3372.23, 0.00292371/step Wall: 3372.23, 0.00292371/step, 3.11781 hours remaining, 205.449219 MB of memory in use. ENERGY: 1161000 740.5911 2057.0262 1975.2653 106.2374 -206519.0644 17996.9962 0.0000 0.0000 34064.3208 -149578.6273 297.4922 -183642.9481 -149482.6550 298.1519 57.3417 94.5413 557067.8157 -7.8628 -7.6397 PRESSURE: 1161200 -9.66933 -112.93 72.1542 -112.93 141.852 -99.1511 72.1534 -99.1507 4.07212 GPRESSURE: 1161200 -2.89334 -61.9331 210.592 -141.761 250.199 -34.7787 71.6249 -101.796 -11.2693 PRESSAVG: 1161200 76.4808 -14.6511 55.4962 -14.651 -65.9195 24.4839 55.4961 24.484 -27.3513 GPRESSAVG: 1161200 75.5788 -12.8444 55.4498 -15.9079 -66.9454 24.5841 55.3176 22.265 -25.8018 TIMING: 1161200 CPU: 3372.82, 0.00294769/step Wall: 3372.82, 0.00294769/step, 3.14322 hours remaining, 205.652344 MB of memory in use. ENERGY: 1161200 719.6419 2065.8276 1979.8745 113.9302 -206499.2476 17874.2729 0.0000 0.0000 34107.8526 -149637.8479 297.8724 -183745.7005 -149529.5365 298.3799 45.4182 78.6788 556964.9175 -5.5967 -5.7228 PRESSURE: 1161400 125.96 37.7518 93.4719 37.7514 307.752 -16.9199 93.4704 -16.9196 -155.417 GPRESSURE: 1161400 107.359 -113.703 9.04715 45.92 344.574 61.6464 73.6661 -38.0527 -80.7543 PRESSAVG: 1161400 -26.0994 71.2392 17.1628 71.2392 21.8779 27.2914 17.1628 27.2914 60.1243 GPRESSAVG: 1161400 -24.7449 69.1218 16.7851 72.864 20.9164 29.0767 18.8008 26.8154 59.488 TIMING: 1161400 CPU: 3373.41, 0.00295176/step Wall: 3373.41, 0.00295176/step, 3.14739 hours remaining, 205.652344 MB of memory in use. ENERGY: 1161400 729.0356 2113.1246 1980.9551 108.7503 -206410.8512 17924.1287 0.0000 0.0000 34040.2657 -149514.5912 297.2821 -183554.8569 -149421.1381 297.5648 92.7651 123.7261 555118.3623 18.6343 18.5532 PRESSURE: 1161600 -127.599 -20.5183 -154.255 -20.5192 -341.651 -99.6573 -154.255 -99.6592 -160.49 GPRESSURE: 1161600 -65.1734 -101.337 -119.318 92.9534 -373.882 -187.465 -79.9738 -111.564 -89.414 PRESSAVG: 1161600 -59.1732 -43.6219 13.2036 -43.6221 -20.2041 47.4706 13.2035 47.4706 66.772 GPRESSAVG: 1161600 -58.8718 -41.5067 11.6454 -45.0423 -19.7593 46.8572 13.5612 47.9904 66.2916 TIMING: 1161600 CPU: 3374, 0.00293095/step Wall: 3374, 0.00293095/step, 3.12504 hours remaining, 205.652344 MB of memory in use. ENERGY: 1161600 734.1894 2083.6708 1958.9006 119.0722 -205978.2295 17323.4170 0.0000 0.0000 34274.4641 -149484.5154 299.3274 -183758.9794 -149388.7518 298.2811 -209.9134 -176.1565 555850.4177 -4.2018 -4.1132 PRESSURE: 1161800 112.653 26.5633 -11.9792 26.5641 -119.192 120.999 -11.9798 120.999 -73.2459 GPRESSURE: 1161800 111.714 64.1226 64.1674 -5.34735 -81.9922 93.2813 -56.6902 107.648 3.60465 PRESSAVG: 1161800 -31.2891 -56.7089 30.2346 -56.7087 10.1652 -7.13478 30.2346 -7.13478 34.0159 GPRESSAVG: 1161800 -32.252 -56.7758 33.3096 -55.9723 10.5309 -8.4137 29.4182 -6.98354 34.1275 TIMING: 1161800 CPU: 3374.58, 0.00290629/step Wall: 3374.58, 0.00290629/step, 3.09859 hours remaining, 205.652344 MB of memory in use. ENERGY: 1161800 777.0512 2083.3836 1952.1204 114.4421 -206515.8799 17888.5168 0.0000 0.0000 34074.2172 -149626.1487 297.5786 -183700.3659 -149528.7822 297.8378 -26.5947 11.1088 555819.1648 4.2974 4.1355 PRESSURE: 1162000 -171.835 -74.8084 2.97434 -74.8091 -159.403 9.82801 2.97423 9.82941 50.6957 GPRESSURE: 1162000 -108.895 -44.876 117.535 -40.56 -123.597 8.98079 -3.34694 -43.7287 50.4443 PRESSAVG: 1162000 13.245 -56.7081 -3.97957 -56.7081 -32.1593 26.3829 -3.97955 26.3828 18.4821 GPRESSAVG: 1162000 12.8868 -56.804 -6.32002 -56.0718 -32.8221 27.6168 -4.80357 26.8501 19.8039 TIMING: 1162000 CPU: 3375.16, 0.00291344/step Wall: 3375.16, 0.00291344/step, 3.10605 hours remaining, 205.652344 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: 1162000 738.8028 2122.0994 1961.8937 130.4214 -206218.2929 17622.0302 0.0000 0.0000 34110.3546 -149532.6908 297.8942 -183643.0455 -149432.4370 298.1082 -93.5142 -60.6825 556457.2687 -0.1440 -0.0438 PRESSURE: 1162200 39.6027 114.164 84.4507 114.163 -240.682 -27.3623 84.4503 -27.3638 -63.3073 GPRESSURE: 1162200 118.418 127.313 44.3782 82.0908 -258.402 -5.71561 79.6246 -1.78022 -31.7557 PRESSAVG: 1162200 58.9522 -35.8963 -18.0578 -35.8964 -60.1544 -5.59994 -18.0579 -5.59982 8.98742 GPRESSAVG: 1162200 60.5318 -35.2685 -19.6576 -37.8027 -60.6458 -6.31267 -17.9687 -5.58103 7.80269 TIMING: 1162200 CPU: 3375.74, 0.00291371/step Wall: 3375.74, 0.00291371/step, 3.10617 hours remaining, 205.652344 MB of memory in use. ENERGY: 1162200 740.7972 2064.8210 1958.4678 115.1577 -206074.9184 17672.2573 0.0000 0.0000 34085.1526 -149438.2649 297.6741 -183523.4175 -149340.7591 298.0827 -88.1289 -57.2466 557588.4276 2.5951 2.5629 PRESSURE: 1162400 -162.286 -75.2418 132.795 -75.2401 -199.983 173.659 132.796 173.656 68.8773 GPRESSURE: 1162400 -135.878 -67.1898 168.521 -38.2186 -144.54 88.0713 103.31 155.239 84.3057 PRESSAVG: 1162400 0.80327 -43.0092 35.532 -43.0092 63.0155 23.8578 35.532 23.8578 -36.1385 GPRESSAVG: 1162400 0.469459 -43.3347 37.2586 -42.2042 64.5329 24.1227 37.3624 22.5963 -37.4212 TIMING: 1162400 CPU: 3376.33, 0.00292447/step Wall: 3376.33, 0.00292447/step, 3.11749 hours remaining, 205.652344 MB of memory in use. ENERGY: 1162400 799.5215 2094.5789 1967.7191 106.6540 -206157.5095 17777.2367 0.0000 0.0000 33897.5997 -149514.1997 296.0362 -183411.7994 -149421.9822 298.4112 -97.7972 -65.3707 556706.0615 9.2267 9.1937 PRESSURE: 1162600 113.455 -25.9802 -48.3888 -25.9802 326.342 -40.7293 -48.389 -40.7288 -53.209 GPRESSURE: 1162600 175.331 -40.728 -37.4902 30.4563 370.609 -36.3452 -103.002 -35.868 -65.7197 PRESSAVG: 1162600 -32.8062 -7.8832 68.448 -7.88324 21.5721 25.1962 68.448 25.1962 0.569843 GPRESSAVG: 1162600 -32.413 -8.17778 69.0397 -8.73593 20.5159 26.5107 66.721 25.3488 0.00291918 TIMING: 1162600 CPU: 3376.92, 0.00294062/step Wall: 3376.92, 0.00294062/step, 3.13454 hours remaining, 205.652344 MB of memory in use. ENERGY: 1162600 763.1652 2071.3617 1973.8918 114.4812 -206554.3868 17999.9359 0.0000 0.0000 34251.8683 -149379.6827 299.1301 -183631.5509 -149287.0957 297.7700 128.8625 160.0735 555148.3507 -3.5548 -3.9647 PRESSURE: 1162800 -59.7509 40.5406 -124.979 40.5402 -44.8085 141.112 -124.979 141.111 65.2301 GPRESSURE: 1162800 -7.26167 51.8741 -135.272 59.6313 -34.9832 116.984 -83.0822 127.91 97.1163 PRESSAVG: 1162800 6.93103 15.0565 31.6376 15.0564 19.6555 15.6977 31.6376 15.6975 -47.3009 GPRESSAVG: 1162800 6.09458 14.7739 31.8214 18.4262 20.3031 18.1824 32.2722 14.5124 -47.2753 TIMING: 1162800 CPU: 3377.49, 0.00288475/step Wall: 3377.49, 0.00288475/step, 3.07482 hours remaining, 205.652344 MB of memory in use. ENERGY: 1162800 760.2068 2075.3056 1970.1778 113.2576 -206225.3813 17754.2242 0.0000 0.0000 34155.0529 -149397.1564 298.2846 -183552.2092 -149296.8029 298.4170 -13.1098 18.2905 556805.5616 -6.9048 -6.9592 PRESSURE: 1163000 250.259 -172.377 -78.0508 -172.376 35.9597 -46.8766 -78.0514 -46.8775 -127.225 GPRESSURE: 1163000 256.153 -247.006 -125.193 -85.371 96.2946 -14.2887 -87.2456 -38.707 -99.7799 PRESSAVG: 1163000 44.8297 2.34869 -22.1154 2.34859 11.7634 3.11173 -22.1154 3.11164 -43.9034 GPRESSAVG: 1163000 44.6832 2.61618 -23.5793 1.84724 12.052 -1.4946 -24.0069 5.3675 -43.7291 TIMING: 1163000 CPU: 3378.08, 0.00290536/step Wall: 3378.08, 0.00290536/step, 3.09663 hours remaining, 205.652344 MB of memory in use. ENERGY: 1163000 759.5980 2088.9397 1978.3385 125.5695 -206416.7514 17915.5234 0.0000 0.0000 34179.9585 -149368.8238 298.5021 -183548.7823 -149274.6680 298.8535 52.9977 84.2227 556427.2840 4.2299 4.3354 PRESSURE: 1163200 -176.543 48.9775 84.558 48.9776 -116.974 -125.641 84.5566 -125.641 487.509 GPRESSURE: 1163200 -162.963 14.8165 105.645 62.6768 2.57048 -155.101 5.52016 -112.2 454.52 PRESSAVG: 1163200 62.3962 15.8779 -0.972231 15.878 -6.14908 -19.8179 -0.972197 -19.818 -46.2647 GPRESSAVG: 1163200 63.6369 16.8191 -1.14439 13.8435 -5.36458 -16.6768 -0.0255554 -20.5092 -47.7793 TIMING: 1163200 CPU: 3378.66, 0.00290745/step Wall: 3378.66, 0.00290745/step, 3.0987 hours remaining, 205.652344 MB of memory in use. ENERGY: 1163200 749.7405 2053.3075 1964.0334 124.3546 -206364.1245 17872.5548 0.0000 0.0000 34124.2206 -149475.9132 298.0153 -183600.1338 -149381.9076 298.1083 64.6639 98.0425 556359.2652 3.3275 3.4977 PRESSURE: 1163400 68.9064 -148.133 -102.232 -148.132 -39.1316 -58.7988 -102.231 -58.7982 -119.309 GPRESSURE: 1163400 45.1028 -62.4806 -120.515 -219.786 14.9489 -64.1792 -76.0737 -116.766 -62.9455 PRESSAVG: 1163400 -14.2519 17.5228 8.12553 17.5229 30.6839 15.9103 8.1255 15.9103 -26.7642 GPRESSAVG: 1163400 -15.2788 16.4245 6.0279 18.7755 29.5265 15.8225 9.73232 13.7484 -24.7034 TIMING: 1163400 CPU: 3379.23, 0.00288772/step Wall: 3379.23, 0.00288772/step, 3.07751 hours remaining, 205.652344 MB of memory in use. ENERGY: 1163400 721.2758 2105.3747 1984.0427 124.8929 -206274.1029 17883.7555 0.0000 0.0000 33907.7123 -149547.0488 296.1245 -183454.7612 -149452.6447 298.4842 -29.8447 -0.9646 558443.7862 -3.4441 -3.4852 PRESSURE: 1163600 -224.133 -94.2218 40.7689 -94.2207 80.5193 22.2066 40.7681 22.208 -53.9333 GPRESSURE: 1163600 -208.913 -148.388 65.9352 -42.3319 144.797 -2.20671 1.18034 38.4632 -47.8468 PRESSAVG: 1163600 -7.53782 -17.227 23.1269 -17.227 50.2771 -34.1327 23.127 -34.1326 -14.0508 GPRESSAVG: 1163600 -7.47796 -16.76 25.8565 -16.6173 50.3812 -35.8537 22.3091 -32.0201 -13.8636 TIMING: 1163600 CPU: 3379.81, 0.00288501/step Wall: 3379.81, 0.00288501/step, 3.07446 hours remaining, 205.652344 MB of memory in use. ENERGY: 1163600 711.0145 2094.3992 1973.2912 121.7588 -206474.9967 17852.1952 0.0000 0.0000 33994.2277 -149728.1101 296.8800 -183722.3378 -149634.6681 297.7188 -65.8489 -37.3210 559015.0271 9.5628 9.6799 PRESSURE: 1163800 -102.686 -39.7222 -22.9341 -39.7223 -46.5549 52.9029 -22.9344 52.902 -103.992 GPRESSURE: 1163800 -38.9575 -107.634 14.1712 -9.49274 -62.205 54.4013 -68.045 43.0299 -57.841 PRESSAVG: 1163800 -100.823 -3.38845 -3.0911 -3.38842 18.8067 56.0599 -3.09106 56.06 66.747 GPRESSAVG: 1163800 -101.218 -1.98929 -2.97416 -4.59883 18.7018 56.683 -3.61375 57.0679 67.0573 TIMING: 1163800 CPU: 3380.39, 0.0028691/step Wall: 3380.39, 0.0028691/step, 3.05735 hours remaining, 205.652344 MB of memory in use. ENERGY: 1163800 743.1502 2055.8258 1912.6708 115.5787 -206346.6750 17708.9035 0.0000 0.0000 33956.9674 -149853.5787 296.5546 -183810.5460 -149758.1157 296.9487 -84.4109 -53.0012 558351.1049 -5.0897 -5.1530 PRESSURE: 1164000 210.343 -32.1081 -77.0545 -32.1081 4.04429 -181.85 -77.0551 -181.852 95.9703 GPRESSURE: 1164000 238.437 -40.59 -139.094 -88.5148 96.7851 -127.841 -1.56093 -133.783 66.387 PRESSAVG: 1164000 17.0327 46.5452 5.59757 46.5453 14.3687 32.916 5.59755 32.916 -23.3791 GPRESSAVG: 1164000 18.5975 43.2189 6.17832 48.2182 15.1501 32.8211 4.20411 32.5034 -25.2686 TIMING: 1164000 CPU: 3380.96, 0.00289713/step Wall: 3380.96, 0.00289714/step, 3.08706 hours remaining, 205.652344 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: 1164000 728.5169 2060.1380 1964.2412 114.7550 -207074.1172 18148.5508 0.0000 0.0000 34125.2651 -149932.6502 298.0244 -184057.9153 -149834.8055 296.8702 103.4525 133.8696 557157.1221 2.6741 2.8263 PRESSURE: 1164200 -246.642 75.8728 82.1822 75.8729 -106.547 3.42573 82.1817 3.42684 -158.75 GPRESSURE: 1164200 -120.576 37.8177 122.491 83.4243 -112.077 -72.4113 41.3258 103.409 -183.644 PRESSAVG: 1164200 -84.8351 -4.16725 6.64516 -4.16732 49.7602 -33.1823 6.6451 -33.1822 29.8816 GPRESSAVG: 1164200 -85.9509 -3.22365 6.01128 -5.34192 48.4282 -31.7554 8.28458 -33.5615 32.1997 TIMING: 1164200 CPU: 3381.55, 0.00290371/step Wall: 3381.55, 0.00290371/step, 3.09391 hours remaining, 205.652344 MB of memory in use. ENERGY: 1164200 739.5940 2091.2059 1950.9470 127.9382 -206166.6782 17621.6217 0.0000 0.0000 33958.1647 -149677.2067 296.5651 -183635.3714 -149580.7235 297.4909 -170.6464 -138.7654 558156.5367 -1.7311 -1.7743 LDB: ============= START OF LOAD BALANCING ============== 3385.01 LDB: ============== END OF LOAD BALANCING =============== 3385.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3385.01 LDB: ============= START OF LOAD BALANCING ============== 3385.3 LDB: Largest compute 4826 load 0.026259 is 22.3% of average load 0.117565 LDB: Average compute 0.001736 is 1.5% of average load 0.117565 LDB: TIME 3385.31 LOAD: AVG 0.117565 MAX 0.179758 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.266 MB LDB: TIME 3385.31 LOAD: AVG 0.117565 MAX 0.179758 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.508 MB LDB: TIME 3385.31 LOAD: AVG 0.117565 MAX 0.179758 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.508 MB LDB: ============== END OF LOAD BALANCING =============== 3385.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3385.31 PRESSURE: 1164400 -211.747 89.2177 64.4435 89.2169 -389.436 50.6758 64.4422 50.6771 -100.112 GPRESSURE: 1164400 -189.146 84.0601 42.0339 174.771 -365.437 96.4123 45.541 -65.2797 -51.4028 PRESSAVG: 1164400 20.9983 15.8666 31.9117 15.8666 -33.1661 -2.52614 31.9117 -2.52618 31.1509 GPRESSAVG: 1164400 21.5793 15.8827 32.0978 16.2255 -33.3608 -3.48405 31.1591 -1.19987 31.5769 TIMING: 1164400 CPU: 3382.14, 0.00296611/step Wall: 3382.14, 0.00296611/step, 3.16023 hours remaining, 205.707031 MB of memory in use. ENERGY: 1164400 749.2690 2102.1866 1954.9985 114.9869 -206135.7128 17364.1419 0.0000 0.0000 34147.5181 -149702.6117 298.2188 -183850.1298 -149603.8301 298.2167 -233.7652 -201.9952 556871.2611 6.3277 6.5985 PRESSURE: 1164600 -93.7311 -9.96139 -61.5729 -9.96146 118.611 19.3231 -61.5744 19.3235 -220.719 GPRESSURE: 1164600 -58.0117 -42.5893 -99.52 -1.27314 55.8737 39.5919 26.8748 93.9237 -100.623 PRESSAVG: 1164600 -9.64714 49.4421 -7.95554 49.442 15.0375 -2.43386 -7.95554 -2.43388 -24.9266 GPRESSAVG: 1164600 -10.1155 50.6471 -10.25 49.5398 15.5777 -2.05506 -5.91159 -2.70824 -24.9133 TIMING: 1164600 CPU: 3382.72, 0.00290816/step Wall: 3382.72, 0.00290816/step, 3.09832 hours remaining, 205.910156 MB of memory in use. ENERGY: 1164600 726.3096 2054.6182 1969.9319 116.2035 -206343.9716 17925.3017 0.0000 0.0000 33955.2986 -149596.3081 296.5401 -183551.6067 -149498.2102 297.7116 -65.2798 -34.2536 557932.1748 -6.5121 -6.4837 PRESSURE: 1164800 -99.1725 -221.059 -35.7682 -221.058 -249.437 54.4011 -35.7664 54.4005 66.1174 GPRESSURE: 1164800 -63.9792 -154.515 -32.8626 -278.791 -151.295 90.9539 -63.9149 140.01 32.2249 PRESSAVG: 1164800 -13.6279 -22.9605 34.5301 -22.9606 -81.0817 -16.9369 34.53 -16.9369 69.0722 GPRESSAVG: 1164800 -13.0794 -23.3716 37.6799 -25.0711 -80.4895 -16.7735 32.6051 -16.6822 67.9024 TIMING: 1164800 CPU: 3383.3, 0.00291859/step Wall: 3383.3, 0.00291859/step, 3.10927 hours remaining, 205.910156 MB of memory in use. ENERGY: 1164800 723.6294 2067.1764 1942.4988 113.9333 -206100.6173 17657.9963 0.0000 0.0000 33902.6757 -149692.7073 296.0805 -183595.3830 -149600.9677 297.8045 -94.1640 -61.0166 556459.4247 -8.5458 -8.5555 PRESSURE: 1165000 91.4263 170.932 236.002 170.931 108.33 210.872 236.002 210.873 233.004 GPRESSURE: 1165000 131.538 124.932 150.072 110.345 140.153 139.133 224.418 264.056 269.482 PRESSAVG: 1165000 -73.599 -37.3699 17.1944 -37.3699 -4.18785 47.9043 17.1945 47.9043 75.5515 GPRESSAVG: 1165000 -73.6136 -36.6001 13.7389 -36.4775 -5.53026 46.603 16.9775 46.3522 77.2304 TIMING: 1165000 CPU: 3383.88, 0.00287304/step Wall: 3383.88, 0.00287304/step, 3.06059 hours remaining, 205.910156 MB of memory in use. ENERGY: 1165000 727.2161 2074.6805 1969.7460 122.4904 -206479.9900 18024.3239 0.0000 0.0000 34161.8516 -149399.6815 298.3439 -183561.5331 -149311.3284 297.8767 144.2534 180.3909 555676.3846 -0.7451 -0.6378 PRESSURE: 1165200 74.8022 -137.973 124.945 -137.974 187.173 -139.803 124.945 -139.804 95.211 GPRESSURE: 1165200 91.0615 -111.013 76.6532 -85.2615 233.449 -147.971 159.434 -119.445 119.486 PRESSAVG: 1165200 -26.7247 -41.694 -1.34358 -41.694 -82.0714 -40.6376 -1.34351 -40.6377 140.496 GPRESSAVG: 1165200 -27.0851 -41.464 -0.0165374 -41.8496 -80.7797 -41.1965 -0.156711 -38.6737 139.769 TIMING: 1165200 CPU: 3384.46, 0.00289191/step Wall: 3384.46, 0.00289191/step, 3.08053 hours remaining, 205.910156 MB of memory in use. ENERGY: 1165200 721.5628 2053.0484 1952.8997 107.7995 -206454.0345 17860.4389 0.0000 0.0000 34294.4306 -149463.8546 299.5018 -183758.2852 -149372.2193 299.2674 119.0619 147.9986 555366.4434 10.5668 10.6348 PRESSURE: 1165400 -3.43708 -54.9354 -23.4107 -54.9354 -179.253 119.081 -23.4119 119.081 57.4926 GPRESSURE: 1165400 78.4385 24.0817 -47.6542 -134.899 -168.704 144.284 49.3828 64.777 67.1859 PRESSAVG: 1165400 -29.5163 -9.53059 49.6272 -9.53072 -31.7554 -11.5186 49.6271 -11.5186 96.4806 GPRESSAVG: 1165400 -28.9686 -9.28117 50.4242 -8.58758 -31.3935 -8.76017 50.6611 -13.812 95.8916 TIMING: 1165400 CPU: 3385.04, 0.00289504/step Wall: 3385.04, 0.00289504/step, 3.0837 hours remaining, 205.910156 MB of memory in use. ENERGY: 1165400 749.5762 2054.1452 1965.2300 114.7807 -206129.3201 17679.0813 0.0000 0.0000 34261.1456 -149305.3611 299.2111 -183566.5067 -149212.7873 298.1742 -41.7326 -7.6932 557246.3124 11.7363 11.8432 PRESSURE: 1165600 133.825 68.8352 91.35 68.8357 -11.005 11.1723 91.3505 11.1719 -57.2287 GPRESSURE: 1165600 190.748 -81.8916 149.685 54.8134 -32.2885 -10.3031 59.8084 21.5456 -4.35464 PRESSAVG: 1165600 -22.2359 -25.5059 -24.7653 -25.5059 -11.3567 23.799 -24.7653 23.799 50.9664 GPRESSAVG: 1165600 -22.1969 -27.2079 -22.7036 -27.4569 -12.0188 21.7055 -27.2927 23.8828 52.0468 TIMING: 1165600 CPU: 3385.61, 0.00288657/step Wall: 3385.61, 0.00288657/step, 3.07451 hours remaining, 205.910156 MB of memory in use. ENERGY: 1165600 738.5332 2106.6212 1958.2428 123.2432 -205912.4602 17659.3218 0.0000 0.0000 34152.2470 -149174.2511 298.2601 -183326.4981 -149077.7709 298.7589 21.8636 51.3683 555332.0257 5.7913 5.9437 PRESSURE: 1165800 126.085 157.389 -162.128 157.389 -35.591 -11.6482 -162.128 -11.6478 -100.358 GPRESSURE: 1165800 130.068 108.905 -101.829 284.638 -16.7259 -101.909 -111.871 48.5913 -28.5451 PRESSAVG: 1165800 4.74886 26.5265 -58.0119 26.5265 -125.223 7.23315 -58.0118 7.23313 102.994 GPRESSAVG: 1165800 4.57831 27.432 -60.4644 28.0568 -125.398 7.15255 -55.5936 8.84427 103.823 TIMING: 1165800 CPU: 3386.19, 0.00289002/step Wall: 3386.19, 0.00289002/step, 3.07804 hours remaining, 206.046875 MB of memory in use. ENERGY: 1165800 770.9451 2072.1180 1985.1468 108.0528 -206502.4397 17843.6317 0.0000 0.0000 34418.3036 -149304.2417 300.5836 -183722.5453 -149210.1623 299.2179 -3.2880 28.2656 556035.2497 -5.8266 -5.6656 PRESSURE: 1166000 76.0588 69.8016 179.984 69.8015 -212.843 36.3232 179.984 36.3232 -219.382 GPRESSURE: 1166000 81.0923 112.479 177.637 29.2025 -145.641 71.9182 199.187 34.9622 -213.826 PRESSAVG: 1166000 -10.3921 1.60353 1.83996 1.60361 -52.9475 -17.7832 1.83999 -17.7831 56.1793 GPRESSAVG: 1166000 -11.1374 1.57684 1.95293 0.122512 -52.0884 -17.3516 -0.384713 -19.3808 56.3033 TIMING: 1166000 CPU: 3386.77, 0.00288532/step Wall: 3386.77, 0.00288532/step, 3.07286 hours remaining, 206.117188 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: 1166000 734.7361 2075.6853 1989.4247 106.2203 -205947.7127 17528.7793 0.0000 0.0000 34256.5682 -149256.2988 299.1711 -183512.8670 -149159.1066 299.3099 -118.7219 -92.7916 557021.8257 -2.3867 -2.3075 PRESSURE: 1166200 -136.095 97.4702 -133.423 97.4688 -58.3317 34.9627 -133.423 34.9619 -130.704 GPRESSURE: 1166200 -74.1481 83.5337 -161.588 46.0308 -62.2888 -56.4499 -75.7898 113.254 -87.1241 PRESSAVG: 1166200 -93.3112 -58.3398 45.4622 -58.3398 -17.7163 -20.8278 45.4622 -20.8278 110.193 GPRESSAVG: 1166200 -93.2825 -57.2624 45.262 -57.7861 -16.4338 -21.0563 49.7537 -20.6784 108.737 TIMING: 1166200 CPU: 3387.35, 0.00288461/step Wall: 3387.35, 0.00288461/step, 3.07195 hours remaining, 206.117188 MB of memory in use. ENERGY: 1166200 720.7459 2116.3652 1963.6607 108.3925 -206115.6808 17614.1305 0.0000 0.0000 34314.3136 -149278.0724 299.6754 -183592.3860 -149180.9304 299.1089 -108.3770 -74.5203 555855.8223 -0.2783 -0.3263 PRESSURE: 1166400 86.5939 82.5567 127.167 82.5555 -404.606 -69.1387 127.167 -69.1399 -98.3138 GPRESSURE: 1166400 137.937 63.2959 144.807 40.4747 -375.455 -68.2907 81.0475 -79.0262 -87.2555 PRESSAVG: 1166400 -10.9308 -45.8601 -35.3548 -45.86 -2.90222 -18.9092 -35.3548 -18.9092 11.2771 GPRESSAVG: 1166400 -10.8502 -46.8467 -35.7955 -46.3655 -3.64606 -19.3286 -38.7351 -17.0009 12.5736 TIMING: 1166400 CPU: 3387.92, 0.00289665/step Wall: 3387.92, 0.00289665/step, 3.08461 hours remaining, 206.117188 MB of memory in use. ENERGY: 1166400 736.1216 2006.7176 1964.2221 113.5889 -206207.9909 17691.7492 0.0000 0.0000 34487.2575 -149208.3340 301.1858 -183695.5915 -149103.9139 300.0892 -138.7753 -108.2578 556474.4317 -0.8520 -0.6409 PRESSURE: 1166600 -149.891 7.81598 15.2351 7.81711 23.8389 57.9016 15.2353 57.9022 -77.1354 GPRESSURE: 1166600 -113.182 -9.45429 -14.0108 -5.28517 86.4133 33.9081 54.879 83.3044 -92.8879 PRESSAVG: 1166600 -51.0541 56.9647 26.1844 56.9648 -26.3081 13.22 26.1844 13.22 70.5507 GPRESSAVG: 1166600 -50.3422 56.2832 27.1101 58.1529 -26.0899 14.236 28.2547 12.7385 69.1304 TIMING: 1166600 CPU: 3388.51, 0.00290176/step Wall: 3388.51, 0.00290176/step, 3.08989 hours remaining, 206.117188 MB of memory in use. ENERGY: 1166600 787.9857 2077.9368 1953.0020 110.5254 -206384.0620 17790.6755 0.0000 0.0000 34069.1406 -149594.7960 297.5343 -183663.9366 -149497.9220 299.2122 -67.7293 -39.8855 555690.9405 -2.2705 -2.4339 PRESSURE: 1166800 155.633 -0.774871 -35.2443 -0.774511 -72.0945 106.096 -35.2457 106.097 -8.01659 GPRESSURE: 1166800 153.441 7.72827 18.7085 -119.946 -8.68323 79.1655 -56.626 171.742 30.1661 PRESSAVG: 1166800 12.354 -43.8656 58.0657 -43.8655 -32.0571 32.799 58.0657 32.799 22.4252 GPRESSAVG: 1166800 12.2354 -42.0603 56.8082 -45.7339 -31.5408 31.2549 55.1389 31.8033 21.8874 TIMING: 1166800 CPU: 3389.09, 0.00290382/step Wall: 3389.09, 0.00290382/step, 3.09192 hours remaining, 206.117188 MB of memory in use. ENERGY: 1166800 766.0322 2090.8937 1960.5257 113.0182 -206390.4159 17841.1338 0.0000 0.0000 34142.4719 -149476.3404 298.1747 -183618.8123 -149384.0160 298.5023 25.1739 58.3080 555380.8457 0.9074 0.8606 PRESSURE: 1167000 24.2435 -61.5911 96.5699 -61.5902 -26.1103 -68.2394 96.5693 -68.2397 77.5777 GPRESSURE: 1167000 60.3372 -3.20825 76.2986 -71.7852 15.7543 -106.146 47.8712 -33.8478 96.4306 PRESSAVG: 1167000 15.4681 -58.4737 -2.61386 -58.4737 -75.2308 8.04277 -2.61393 8.04276 47.26 GPRESSAVG: 1167000 15.6671 -61.096 -2.46285 -53.7771 -75.5083 8.61524 0.463015 7.35874 47.4575 TIMING: 1167000 CPU: 3389.67, 0.00291379/step Wall: 3389.67, 0.00291379/step, 3.10238 hours remaining, 206.117188 MB of memory in use. ENERGY: 1167000 725.9770 2112.7614 1963.6737 137.9930 -206410.3573 17711.4599 0.0000 0.0000 34207.1332 -149551.3590 298.7394 -183758.4923 -149456.1165 298.4705 25.2370 57.5074 555389.8500 -4.1676 -4.1279 PRESSURE: 1167200 -155.613 -146.105 -32.0348 -146.104 -97.6732 124.493 -32.0338 124.492 -36.772 GPRESSURE: 1167200 -177.251 -91.4778 9.36754 -109.422 -79.142 60.2876 -40.6796 141.18 59.7031 PRESSAVG: 1167200 -85.2377 25.5934 36.8625 25.5934 -9.29428 30.756 36.8625 30.756 87.3264 GPRESSAVG: 1167200 -85.9316 27.7205 36.2172 23.5762 -9.76627 29.8652 34.7382 32.7829 88.0571 TIMING: 1167200 CPU: 3390.25, 0.00290702/step Wall: 3390.25, 0.00290702/step, 3.09501 hours remaining, 206.117188 MB of memory in use. ENERGY: 1167200 789.4901 2106.0081 1944.2842 105.6462 -206451.3646 17808.7107 0.0000 0.0000 34031.9985 -149665.2267 297.2099 -183697.2252 -149579.9551 298.4296 -96.6861 -65.5634 557170.6914 -2.4018 -2.5469 PRESSURE: 1167400 -232.22 172.604 -149.946 172.606 -189.334 -89.0301 -149.946 -89.0305 -104.55 GPRESSURE: 1167400 -199.386 85.1745 -57.3125 169.299 -167.334 -87.4307 -138.219 -28.1578 -63.854 PRESSAVG: 1167400 -61.459 11.3593 -66.4481 11.3594 -12.4049 -39.822 -66.4481 -39.822 80.4606 GPRESSAVG: 1167400 -61.526 11.5981 -65.1294 10.8145 -12.9294 -36.8404 -67.2326 -40.8192 81.3665 TIMING: 1167400 CPU: 3390.83, 0.00291009/step Wall: 3390.83, 0.00291009/step, 3.09811 hours remaining, 206.117188 MB of memory in use. ENERGY: 1167400 767.6534 2042.0246 1937.4475 120.9003 -206733.1432 17837.9948 0.0000 0.0000 34283.3002 -149743.8224 299.4046 -184027.1225 -149648.4064 298.0233 -175.3681 -143.5245 557316.7177 2.1989 2.3037 PRESSURE: 1167600 -19.0683 183.196 55.7379 183.196 -247.258 122.109 55.7391 122.111 -91.3509 GPRESSURE: 1167600 23.9725 166.937 82.8316 170.923 -255.355 223.44 83.1344 98.5408 -30.5733 PRESSAVG: 1167600 9.86213 30.6197 -4.46567 30.6198 -46.6628 11.7473 -4.46577 11.7473 48.0944 GPRESSAVG: 1167600 10.7214 30.3172 -5.42346 29.2548 -46.4651 10.8281 -2.75343 13.7378 47.0869 TIMING: 1167600 CPU: 3391.41, 0.00291013/step Wall: 3391.41, 0.00291013/step, 3.09799 hours remaining, 206.117188 MB of memory in use. ENERGY: 1167600 746.8061 2057.2626 1962.2769 127.8243 -206533.8910 17756.6349 0.0000 0.0000 34095.6027 -149787.4836 297.7654 -183883.0863 -149690.6932 297.8729 -119.2257 -87.3185 557520.8161 3.7646 3.7811 PRESSURE: 1167800 -211.44 163.788 -18.6812 163.788 -208.986 17.744 -18.6809 17.7433 -275.002 GPRESSURE: 1167800 -231.467 144.257 -105.966 84.6335 -143.863 31.6249 -2.60635 6.74227 -223.778 PRESSAVG: 1167800 4.51404 34.2371 -2.44588 34.237 -8.63673 6.80933 -2.44585 6.80947 56.8285 GPRESSAVG: 1167800 4.16022 32.2552 -1.82718 35.9774 -7.91253 5.74959 -2.96342 6.73728 57.007 TIMING: 1167800 CPU: 3391.99, 0.00290167/step Wall: 3391.99, 0.00290167/step, 3.08883 hours remaining, 206.117188 MB of memory in use. ENERGY: 1167800 745.8357 2084.8228 1947.1040 110.4064 -206539.9085 17585.1346 0.0000 0.0000 34280.3422 -149786.2627 299.3788 -184066.6049 -149686.3289 297.6476 -231.8093 -199.7026 556798.2876 17.5686 17.7515 PRESSURE: 1168000 -234.883 -82.3407 95.664 -82.3404 143.027 69.0647 95.6625 69.0654 37.7558 GPRESSURE: 1168000 -151.711 -35.9208 43.4513 -45.2763 234.555 110.929 125.932 59.4487 -40.9169 PRESSAVG: 1168000 -21.3444 29.131 -51.8676 29.1309 6.28203 32.9306 -51.8676 32.9306 14.192 GPRESSAVG: 1168000 -22.6239 29.0045 -52.8734 29.9974 6.40879 33.6857 -53.4485 33.13 15.5642 TIMING: 1168000 CPU: 3392.58, 0.00291292/step Wall: 3392.58, 0.00291292/step, 3.10064 hours remaining, 206.117188 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: 1168000 727.5297 2037.8290 1973.3372 124.5302 -206519.1614 17769.5518 0.0000 0.0000 34125.9715 -149760.4121 298.0306 -183886.3836 -149660.1045 297.8620 -18.0336 13.9755 555951.2560 -0.2901 -0.2170 PRESSURE: 1168200 -212.279 131.128 154.88 131.128 -104.944 222.002 154.879 222.002 -135.114 GPRESSURE: 1168200 -182.287 68.6959 244.713 151.97 -98.4921 202.223 101.389 260.243 -82.3167 PRESSAVG: 1168200 -8.79458 11.9696 28.917 11.9696 3.90159 22.7839 28.9171 22.7839 -7.33563 GPRESSAVG: 1168200 -7.14864 12.2343 28.8396 12.6838 3.46818 23.821 30.7743 20.5094 -8.98018 TIMING: 1168200 CPU: 3393.16, 0.00289476/step Wall: 3393.16, 0.00289476/step, 3.08115 hours remaining, 206.117188 MB of memory in use. ENERGY: 1168200 730.5636 2142.8862 1973.1401 100.2662 -206430.1745 17566.9394 0.0000 0.0000 34101.7271 -149814.6519 297.8189 -183916.3790 -149718.6471 297.6623 -150.7790 -121.0318 556842.2345 -4.0762 -4.2202 LDB: ============= START OF LOAD BALANCING ============== 3396.62 LDB: ============== END OF LOAD BALANCING =============== 3396.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3396.62 LDB: ============= START OF LOAD BALANCING ============== 3396.91 LDB: Largest compute 4855 load 0.025928 is 22.1% of average load 0.117565 LDB: Average compute 0.001735 is 1.5% of average load 0.117565 LDB: TIME 3396.92 LOAD: AVG 0.117565 MAX 0.178206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.98 MB LDB: TIME 3396.92 LOAD: AVG 0.117565 MAX 0.178206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.184 MB LDB: TIME 3396.92 LOAD: AVG 0.117565 MAX 0.178206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3396.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3396.92 PRESSURE: 1168400 119.712 12.0783 54.2806 12.0788 153.746 147.137 54.2816 147.138 50.2315 GPRESSURE: 1168400 161.59 -51.757 70.9636 40.9864 159.544 182.652 45.0153 214.699 85.8217 PRESSAVG: 1168400 -8.61043 15.877 15.2995 15.8769 21.2286 8.91675 15.2995 8.91679 12.2159 GPRESSAVG: 1168400 -10.0934 17.0955 15.5925 14.2894 21.7368 4.78315 16.6582 10.0192 12.5616 TIMING: 1168400 CPU: 3393.75, 0.00296075/step Wall: 3393.75, 0.00296075/step, 3.15122 hours remaining, 204.000000 MB of memory in use. ENERGY: 1168400 745.5210 2080.1213 1941.4867 115.0338 -206940.8863 17991.8971 0.0000 0.0000 34268.6687 -149798.1576 299.2768 -184066.8263 -149702.3548 297.7907 107.8965 135.6521 555080.2131 8.2780 8.0683 PRESSURE: 1168600 -183.734 -79.3454 27.3548 -79.3454 -185.436 161.114 27.3546 161.114 -50.5742 GPRESSURE: 1168600 -130.629 -99.9838 48.9361 -75.0746 -137.1 152.971 35.7625 131.84 -57.9965 PRESSAVG: 1168600 -34.946 8.37021 -7.55396 8.37027 26.3382 -24.0895 -7.55394 -24.0896 97.1629 GPRESSAVG: 1168600 -34.8285 7.11926 -6.73311 8.23706 25.8917 -21.524 -9.11716 -24.5593 97.4442 TIMING: 1168600 CPU: 3394.33, 0.00289014/step Wall: 3394.33, 0.00289014/step, 3.07591 hours remaining, 204.089844 MB of memory in use. ENERGY: 1168600 748.0676 2087.7686 1963.1239 118.0635 -206173.9117 17571.7770 0.0000 0.0000 34029.1546 -149655.9566 297.1851 -183685.1111 -149556.6962 298.3536 -139.9147 -108.5751 555983.2858 29.5184 29.5025 PRESSURE: 1168800 -164.997 77.2352 15.3517 77.2335 107.412 -39.429 15.3532 -39.4281 -41.4765 GPRESSURE: 1168800 -178.812 89.5158 -43.9245 26.5062 183.885 25.1309 10.9277 -19.4104 -16.6808 PRESSAVG: 1168800 -47.7134 48.8751 -15.347 48.8751 27.8737 25.6384 -15.3471 25.6385 49.6562 GPRESSAVG: 1168800 -47.3575 48.7152 -15.5436 48.7481 28.6578 26.1626 -16.4285 26.8909 48.8009 TIMING: 1168800 CPU: 3394.91, 0.00292249/step Wall: 3394.91, 0.00292249/step, 3.11018 hours remaining, 204.089844 MB of memory in use. ENERGY: 1168800 786.8075 2152.3436 1991.0683 114.5189 -206747.7153 18028.7967 0.0000 0.0000 34168.0253 -149506.1550 298.3979 -183674.1803 -149407.3128 298.5262 -33.0206 -3.8692 556445.0626 9.9388 10.0338 PRESSURE: 1169000 261.634 -60.1327 187.847 -60.1313 -3.44518 -65.5635 187.847 -65.5646 204.347 GPRESSURE: 1169000 279.649 -35.1114 148.5 -104.315 30.0966 -72.3993 117.402 -62.2493 245.531 PRESSAVG: 1169000 -111.977 -30.7086 -51.2861 -30.7086 -42.4753 -4.45878 -51.2861 -4.45864 94.4423 GPRESSAVG: 1169000 -112.755 -29.661 -53.3963 -32.2214 -42.566 -4.12168 -50.8217 -5.20066 95.2206 TIMING: 1169000 CPU: 3395.49, 0.00291009/step Wall: 3395.49, 0.00291009/step, 3.09682 hours remaining, 204.089844 MB of memory in use. ENERGY: 1169000 734.2524 2097.8087 1956.3173 115.2500 -206748.6187 18055.7451 0.0000 0.0000 34244.9809 -149544.2643 299.0699 -183789.2452 -149449.3759 298.3357 154.1785 185.0921 555895.2089 -20.0032 -20.0333 PRESSURE: 1169200 -16.7269 -166.89 -120.949 -166.89 -199.096 29.4976 -120.95 29.4995 33.2907 GPRESSURE: 1169200 -1.59376 -181.865 -66.3508 -51.8187 -166.098 84.0187 -156.949 61.3716 71.1388 PRESSAVG: 1169200 -39.7388 -3.51778 -0.818392 -3.51772 -4.58574 50.3431 -0.818276 50.3432 72.0317 GPRESSAVG: 1169200 -38.4571 -5.60033 -0.286839 -1.89901 -3.72316 48.9343 -1.0971 50.312 70.1492 TIMING: 1169200 CPU: 3396.07, 0.00287829/step Wall: 3396.07, 0.00287829/step, 3.06282 hours remaining, 204.089844 MB of memory in use. ENERGY: 1169200 743.9839 2103.5781 1970.9176 116.2897 -206465.1146 17867.6500 0.0000 0.0000 34185.5949 -149477.1003 298.5513 -183662.6952 -149379.3305 298.5154 -60.8442 -32.1842 556663.6697 9.2357 9.3230 PRESSURE: 1169400 -20.2883 -74.7927 27.6751 -74.794 183.825 -66.8272 27.6744 -66.8279 -265.597 GPRESSURE: 1169400 -45.2758 -107.92 -2.06326 -65.4936 249.342 -65.9383 22.9316 -12.2018 -211.56 PRESSAVG: 1169400 -47.0938 -20.7113 18.3237 -20.7113 50.5657 19.4465 18.3238 19.4465 8.07065 GPRESSAVG: 1169400 -47.3354 -18.4594 20.4201 -19.4391 49.8793 18.6557 18.65 21.4774 8.6946 TIMING: 1169400 CPU: 3396.65, 0.0028849/step Wall: 3396.65, 0.0028849/step, 3.0697 hours remaining, 204.128906 MB of memory in use. ENERGY: 1169400 769.6479 2146.5511 1955.6330 98.5542 -206718.5340 17966.2423 0.0000 0.0000 34197.1184 -149584.7871 298.6519 -183781.9055 -149484.8481 299.3225 -34.0201 -2.4980 557186.7930 3.8475 3.7462 PRESSURE: 1169600 218.762 83.0079 112.121 83.0094 -128.337 49.0924 112.122 49.093 200.531 GPRESSURE: 1169600 297.834 50.8345 145.227 112.789 -100.245 92.3762 42.1761 72.286 186.034 PRESSAVG: 1169600 9.92154 11.9965 21.0199 11.9966 -6.1223 -5.27552 21.0199 -5.27554 -56.3333 GPRESSAVG: 1169600 10.5335 11.1482 21.123 12.3481 -6.35178 -3.48169 21.7158 -6.47996 -56.8823 TIMING: 1169600 CPU: 3397.22, 0.00289377/step Wall: 3397.22, 0.00289377/step, 3.07897 hours remaining, 204.128906 MB of memory in use. ENERGY: 1169600 716.6734 2104.4514 1940.8402 123.3176 -206265.5704 17821.2372 0.0000 0.0000 34047.9257 -149511.1249 297.3490 -183559.0506 -149415.2966 298.0130 96.9855 127.8743 557875.3412 -17.5114 -17.5669 PRESSURE: 1169800 46.7093 -55.4792 87.9655 -55.4788 116.816 -94.7177 87.9667 -94.7198 -110.96 GPRESSURE: 1169800 73.6781 -2.28214 9.09988 -20.6671 193.555 -78.5468 72.5449 -109.481 -106.894 PRESSAVG: 1169800 65.4509 12.2654 -9.849 12.2653 -12.5749 -19.4048 -9.84907 -19.4048 -58.2905 GPRESSAVG: 1169800 64.7859 11.609 -10.2766 11.6138 -12.0934 -20.7266 -12.0204 -19.7401 -57.7033 TIMING: 1169800 CPU: 3397.8, 0.00289559/step Wall: 3397.8, 0.00289559/step, 3.08075 hours remaining, 204.128906 MB of memory in use. ENERGY: 1169800 717.8923 2071.5783 1946.9031 108.1222 -206479.5874 18011.4599 0.0000 0.0000 34157.9748 -149465.6568 298.3101 -183623.6316 -149369.1410 297.8399 17.5219 53.4467 558701.4597 -1.8048 -1.6703 PRESSURE: 1170000 -108.365 53.1588 124.187 53.1596 166.55 -33.3626 124.186 -33.3621 -74.8223 GPRESSURE: 1170000 -47.9013 139.82 77.1411 -30.507 150.073 -11.4303 112.275 -66.4719 -22.145 PRESSAVG: 1170000 -3.6651 13.9014 -3.22074 13.9015 78.0737 8.71271 -3.22078 8.71259 -97.0593 GPRESSAVG: 1170000 -3.62133 13.1602 -5.20032 14.9492 77.7694 11.902 -0.425874 7.44362 -96.6334 TIMING: 1170000 CPU: 3398.38, 0.00290908/step Wall: 3398.38, 0.00290908/step, 3.09494 hours remaining, 204.128906 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: 1170000 757.4685 2098.2291 1936.5445 112.1711 -206290.0031 17993.4519 0.0000 0.0000 34044.8472 -149347.2909 297.3221 -183392.1381 -149245.4419 297.8822 -5.5458 26.6755 560264.9917 -7.5502 -7.4951 PRESSURE: 1170200 -94.1132 78.956 -84.4269 78.9549 -120.79 38.15 -84.4274 38.15 -433.166 GPRESSURE: 1170200 -53.6798 -9.02928 -121.979 189.091 -119.419 -11.5193 -41.5704 72.4601 -373.933 PRESSAVG: 1170200 -2.12738 -15.9979 14.7373 -15.9979 -2.45106 -51.9152 14.7373 -51.9151 3.62143 GPRESSAVG: 1170200 -1.38154 -17.6754 17.3515 -17.447 -2.24173 -51.3298 12.7718 -52.7291 3.10942 TIMING: 1170200 CPU: 3398.97, 0.00290815/step Wall: 3398.97, 0.00290815/step, 3.09379 hours remaining, 204.253906 MB of memory in use. ENERGY: 1170200 749.1693 2099.0013 1954.5940 104.9875 -206204.0787 17772.3983 0.0000 0.0000 34287.0075 -149236.9209 299.4370 -183523.9283 -149137.6499 298.7095 -216.0228 -182.3440 560087.8893 -0.3190 -0.1713 PRESSURE: 1170400 -100.965 196.452 37.6841 196.45 65.5206 -20.3602 37.6843 -20.3605 -63.778 GPRESSURE: 1170400 -88.9475 245.254 8.13997 185.719 93.4527 0.910259 21.2612 -47.3166 -6.72283 PRESSAVG: 1170400 -50.192 35.9229 -13.2447 35.9229 -16.6572 -20.4047 -13.2447 -20.4046 15.2222 GPRESSAVG: 1170400 -50.0095 39.8096 -12.4898 35.19 -16.0243 -22.6031 -13.3102 -19.6786 14.1926 TIMING: 1170400 CPU: 3399.54, 0.00288773/step Wall: 3399.54, 0.00288774/step, 3.07191 hours remaining, 204.253906 MB of memory in use. ENERGY: 1170400 716.4303 2046.9841 1983.2987 109.7494 -206236.1679 17793.1343 0.0000 0.0000 34294.2495 -149292.3216 299.5002 -183586.5711 -149196.6808 298.8034 -33.0740 -0.7392 559184.5084 -17.2090 -17.2804 PRESSURE: 1170600 -202.407 180.13 -16.4193 180.131 -52.9228 -231.776 -16.421 -231.776 -34.2296 GPRESSURE: 1170600 -199.088 200.467 31.2258 133.009 25.0044 -173.805 -36.3392 -198.647 -11.5179 PRESSAVG: 1170600 -25.8231 32.1556 -3.75519 32.1555 -9.41257 -0.949979 -3.75519 -0.950013 2.9799 GPRESSAVG: 1170600 -25.5976 31.2211 -5.31863 32.9883 -10.1028 -0.415986 -3.17457 -0.396476 3.28348 TIMING: 1170600 CPU: 3400.13, 0.00291816/step Wall: 3400.13, 0.00291816/step, 3.10411 hours remaining, 204.253906 MB of memory in use. ENERGY: 1170600 741.7266 2070.2760 1969.6086 103.7977 -205893.5541 17637.3540 0.0000 0.0000 34258.8295 -149111.9618 299.1909 -183370.7912 -149014.1599 299.0865 -96.5200 -61.8672 558652.5561 -10.7519 -10.8057 PRESSURE: 1170800 -337.424 43.4217 -42.5561 43.4218 -39.6875 -107.018 -42.5569 -107.019 247.632 GPRESSURE: 1170800 -292.096 -4.50892 -33.6213 73.0596 -71.2526 -154.5 -120.499 -88.7692 307.345 PRESSAVG: 1170800 -0.674636 20.8596 16.2259 20.8596 -15.5374 -66.6012 16.2259 -66.6012 -23.4272 GPRESSAVG: 1170800 0.519006 20.5914 17.7901 19.0536 -16.531 -67.7352 13.0974 -65.64 -23.6032 TIMING: 1170800 CPU: 3400.71, 0.00291036/step Wall: 3400.71, 0.00291036/step, 3.09566 hours remaining, 204.253906 MB of memory in use. ENERGY: 1170800 768.0445 2140.4838 1981.5775 125.3150 -205790.8662 17671.4956 0.0000 0.0000 34223.2634 -148880.6862 298.8803 -183103.9497 -148792.4651 299.0192 -43.1598 -18.6681 557574.1084 -13.2131 -13.2051 PRESSURE: 1171000 177.5 -109.33 127.08 -109.33 220.869 5.44184 127.082 5.44175 -43.8344 GPRESSURE: 1171000 225.288 -114.48 201.062 -144.366 158.013 21.6567 52.4157 -61.0656 65.1452 PRESSAVG: 1171000 23.659 -21.3157 51.2391 -21.3157 6.88532 -27.3615 51.2391 -27.3615 10.2395 GPRESSAVG: 1171000 23.0106 -19.0093 47.7546 -20.4035 7.12436 -28.503 55.6064 -27.8747 10.1172 TIMING: 1171000 CPU: 3401.29, 0.00288929/step Wall: 3401.29, 0.00288929/step, 3.07308 hours remaining, 204.253906 MB of memory in use. ENERGY: 1171000 757.2070 2129.5456 1927.2769 119.3528 -206244.7745 17991.3738 0.0000 0.0000 34419.2621 -148900.7562 300.5920 -183320.0183 -148804.9105 300.0039 118.1780 149.4819 556371.7730 13.5946 13.4174 PRESSURE: 1171200 -117.027 -122.865 17.2779 -122.865 -318.344 49.9156 17.2776 49.9147 -220.458 GPRESSURE: 1171200 -82.9326 -213.583 -22.85 -62.0081 -222.043 -3.94587 88.0072 89.4709 -265.225 PRESSAVG: 1171200 -4.53159 -18.5897 42.6771 -18.5897 -23.0578 -4.4472 42.6771 -4.44735 19.2077 GPRESSAVG: 1171200 -4.85604 -22.1281 43.9631 -17.041 -21.9929 -2.33274 41.8239 -4.46947 18.4614 TIMING: 1171200 CPU: 3401.86, 0.00288451/step Wall: 3401.86, 0.00288451/step, 3.06784 hours remaining, 204.253906 MB of memory in use. ENERGY: 1171200 740.9365 2142.3952 1935.2297 111.6899 -205673.8075 17464.0254 0.0000 0.0000 34375.8782 -148903.6526 300.2131 -183279.5309 -148798.2657 300.3207 -218.6096 -190.0670 557591.6689 -2.7939 -2.7959 PRESSURE: 1171400 -178.679 69.6811 7.05206 69.6807 -99.2394 247.361 7.05226 247.362 -93.194 GPRESSURE: 1171400 -128.567 79.8661 -22.1759 77.8146 -102.529 133.905 34.2205 319.396 -53.6263 PRESSAVG: 1171400 45.8991 52.1006 12.2983 52.1006 6.55286 39.269 12.2984 39.2691 -53.4761 GPRESSAVG: 1171400 46.5319 52.908 11.3094 49.8961 4.7445 36.0003 13.0742 39.5362 -52.0196 TIMING: 1171400 CPU: 3402.44, 0.00289921/step Wall: 3402.44, 0.00289921/step, 3.08331 hours remaining, 204.253906 MB of memory in use. ENERGY: 1171400 779.1497 2124.2258 1931.9437 115.1178 -206226.6329 17735.8285 0.0000 0.0000 34557.1785 -148983.1889 301.7964 -183540.3674 -148884.0003 300.5974 -123.7041 -94.9076 558353.1555 -0.3414 -0.2477 PRESSURE: 1171600 -135.272 -72.2478 136.521 -72.2464 -163.197 -50.7573 136.52 -50.7583 -2.59355 GPRESSURE: 1171600 -85.56 -58.7302 120.157 -69.6552 -133.029 -174.229 114.726 28.6323 12.0935 PRESSAVG: 1171600 47.6625 -9.43576 -9.16919 -9.43575 -116.154 3.61014 -9.16917 3.61024 50.9932 GPRESSAVG: 1171600 46.7135 -9.47758 -9.65098 -9.2575 -115.919 5.90128 -9.57411 2.96209 51.1553 TIMING: 1171600 CPU: 3403.02, 0.00287537/step Wall: 3403.02, 0.00287537/step, 3.05779 hours remaining, 204.253906 MB of memory in use. ENERGY: 1171600 734.6894 2094.5861 1960.9052 122.3082 -205690.2757 17564.8441 0.0000 0.0000 33877.8164 -149335.1263 295.8634 -183212.9427 -149238.7878 299.3059 -100.3541 -68.8319 556699.1374 -5.8328 -6.0167 PRESSURE: 1171800 -17.7428 99.4258 0.0417886 99.4252 -153.788 -33.2935 0.0411705 -33.2934 97.4068 GPRESSURE: 1171800 23.6789 80.831 -30.7768 167.3 -139.191 -91.1808 -17.5782 60.2422 138.537 PRESSAVG: 1171800 -19.6066 37.6914 56.7242 37.6914 -47.3842 12.1935 56.7243 12.1935 59.9961 GPRESSAVG: 1171800 -19.1271 37.4613 57.8737 37.3383 -46.2361 11.765 56.8487 12.4338 58.3197 TIMING: 1171800 CPU: 3403.6, 0.00291668/step Wall: 3403.6, 0.00291668/step, 3.10156 hours remaining, 204.253906 MB of memory in use. ENERGY: 1171800 718.4347 2120.6251 1933.6706 109.9489 -206540.1707 17942.0141 0.0000 0.0000 34171.6230 -149543.8544 298.4293 -183715.4774 -149447.6882 298.5299 -24.7081 7.6752 557669.9404 -2.3316 -2.3478 PRESSURE: 1172000 -245.253 49.1159 51.1541 49.115 -232.699 -7.51495 51.1544 -7.51538 -112.231 GPRESSURE: 1172000 -200.736 53.3245 -27.4204 46.7688 -196.864 -33.5086 22.6446 72.1738 -117.098 PRESSAVG: 1172000 -78.1152 16.9614 18.811 16.9614 -9.92525 9.68844 18.811 9.6885 74.7108 GPRESSAVG: 1172000 -77.706 18.7497 19.4989 15.6881 -12.2244 8.54952 19.2312 11.0783 76.2241 TIMING: 1172000 CPU: 3404.18, 0.00288462/step Wall: 3404.18, 0.00288462/step, 3.06731 hours remaining, 204.253906 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: 1172000 750.7307 2110.8513 1978.6773 103.6760 -206314.7021 17763.0280 0.0000 0.0000 34063.9947 -149543.7440 297.4893 -183607.7387 -149446.8237 298.1401 -196.7279 -171.5663 558367.7953 -4.4432 -4.5687 PRESSURE: 1172200 149.808 2.09976 90.4525 2.10048 -82.9097 -34.0794 90.452 -34.0803 -97.122 GPRESSURE: 1172200 181.638 -9.42031 78.1479 -29.9005 -74.4217 10.6962 54.5398 6.87477 -55.2104 PRESSAVG: 1172200 31.3475 15.6717 -50.0703 15.6716 -80.1727 -48.6433 -50.0703 -48.6434 -17.4556 GPRESSAVG: 1172200 31.8225 14.8518 -49.1853 17.7407 -79.5591 -44.5479 -53.3836 -53.6208 -18.354 TIMING: 1172200 CPU: 3404.76, 0.00288665/step Wall: 3404.76, 0.00288665/step, 3.06931 hours remaining, 204.253906 MB of memory in use. ENERGY: 1172200 757.4922 2055.0249 1938.3300 114.7581 -206836.3310 18083.1417 0.0000 0.0000 34178.2148 -149709.3693 298.4869 -183887.5842 -149609.5558 297.7146 -10.0746 17.3353 558481.4690 -22.0936 -22.0302 LDB: ============= START OF LOAD BALANCING ============== 3408.22 LDB: ============== END OF LOAD BALANCING =============== 3408.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3408.22 LDB: ============= START OF LOAD BALANCING ============== 3408.51 LDB: Largest compute 4855 load 0.024933 is 21.2% of average load 0.117640 LDB: Average compute 0.001737 is 1.5% of average load 0.117640 LDB: TIME 3408.52 LOAD: AVG 0.11764 MAX 0.176523 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.289 MB LDB: TIME 3408.52 LOAD: AVG 0.11764 MAX 0.176523 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.293 MB LDB: TIME 3408.52 LOAD: AVG 0.11764 MAX 0.176523 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3408.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3408.52 PRESSURE: 1172400 -43.6616 -43.6275 5.29798 -43.6271 188.154 -36.2099 5.29809 -36.2108 68.3221 GPRESSURE: 1172400 -6.57907 29.51 -30.4554 -122.018 217.898 -27.207 9.75711 0.425556 94.4685 PRESSAVG: 1172400 62.0036 -70.7883 81.2657 -70.7884 -44.6811 -64.3652 81.2658 -64.3651 -11.4424 GPRESSAVG: 1172400 61.648 -72.2969 81.6608 -70.0433 -43.2217 -66.0584 84.063 -61.1547 -12.266 TIMING: 1172400 CPU: 3405.35, 0.00295285/step Wall: 3405.35, 0.00295285/step, 3.13954 hours remaining, 205.261719 MB of memory in use. ENERGY: 1172400 752.8636 2088.9820 1977.6975 102.2902 -206359.3266 18020.8487 0.0000 0.0000 33988.0485 -149428.5961 296.8261 -183416.6446 -149337.9499 297.5576 70.9380 101.9291 558389.0137 1.9600 2.0534 PRESSURE: 1172600 27.4521 -151.102 -120.513 -151.103 -59.0323 0.497015 -120.514 0.496695 -180.669 GPRESSURE: 1172600 67.2742 -32.3471 -176.483 -230.095 26.6561 52.9517 -44.4712 -4.64718 -212.445 PRESSAVG: 1172600 29.8534 -11.5998 9.94371 -11.6 -27.246 -11.0969 9.94376 -11.097 -15.0442 GPRESSAVG: 1172600 30.6696 -9.12866 10.7672 -13.2322 -28.522 -12.6221 9.10207 -10.5132 -14.0912 TIMING: 1172600 CPU: 3405.93, 0.00291265/step Wall: 3405.93, 0.00291265/step, 3.09663 hours remaining, 205.722656 MB of memory in use. ENERGY: 1172600 678.5146 2116.6678 1959.1637 109.3686 -205883.1315 17617.2589 0.0000 0.0000 34089.5132 -149312.6445 297.7122 -183402.1577 -149218.6583 298.5211 -70.7499 -39.5047 558459.9701 -4.1456 -3.9812 PRESSURE: 1172800 -293.724 1.62785 24.8886 1.62812 -99.8319 19.2529 24.8877 19.2524 -272.548 GPRESSURE: 1172800 -302.65 -54.7591 23.4639 9.8395 -64.3438 -34.0712 12.6513 84.4583 -210.692 PRESSAVG: 1172800 16.0825 -16.7531 42.9799 -16.753 6.08398 5.8895 42.9798 5.88947 -8.04909 GPRESSAVG: 1172800 15.2341 -16.531 41.6319 -15.9209 6.6119 6.60194 41.4721 5.81391 -7.68501 TIMING: 1172800 CPU: 3406.51, 0.00288876/step Wall: 3406.51, 0.00288876/step, 3.07107 hours remaining, 205.722656 MB of memory in use. ENERGY: 1172800 798.2874 2054.8009 1972.5285 122.4098 -205965.0840 17613.8191 0.0000 0.0000 34313.8153 -149089.4232 299.6711 -183403.2384 -148998.9022 298.6346 -222.0348 -192.5622 557574.4790 4.7058 4.7203 PRESSURE: 1173000 -16.5171 -10.5246 -94.6937 -10.5256 112.491 91.9385 -94.6941 91.9384 -133.487 GPRESSURE: 1173000 36.8254 18.7655 -89.1193 56.4186 96.5307 194.996 -20.8896 -10.5311 -72.5326 PRESSAVG: 1173000 23.3538 -16.169 37.5731 -16.169 -13.5364 -34.6384 37.5732 -34.6385 -4.22907 GPRESSAVG: 1173000 23.4401 -16.2935 37.8242 -15.6259 -13.3825 -34.253 37.5814 -35.2925 -4.4653 TIMING: 1173000 CPU: 3407.09, 0.00289247/step Wall: 3407.09, 0.00289247/step, 3.07485 hours remaining, 205.972656 MB of memory in use. ENERGY: 1173000 711.7640 2054.1735 1999.2264 122.8936 -206270.1794 17813.6433 0.0000 0.0000 34425.4597 -149143.0190 300.6461 -183568.4787 -149041.5353 299.1144 -12.5044 20.2745 556183.2318 1.8628 1.8641 PRESSURE: 1173200 -171.79 70.4117 -68.8908 70.4109 -245.914 -69.7432 -68.8905 -69.7437 450.807 GPRESSURE: 1173200 -134.27 62.2467 -135.886 37.6162 -206.811 -50.0655 -66.5216 -17.4193 459.902 PRESSAVG: 1173200 66.4739 39.0321 7.31887 39.0321 -92.0761 -11.2669 7.31894 -11.2669 34.2639 GPRESSAVG: 1173200 65.8663 38.0225 7.61884 39.4476 -91.2244 -11.1778 10.7593 -11.3097 34.1821 TIMING: 1173200 CPU: 3407.66, 0.00288867/step Wall: 3407.66, 0.00288867/step, 3.07065 hours remaining, 205.972656 MB of memory in use. ENERGY: 1173200 787.6952 2143.2774 1978.8900 116.6583 -206411.7623 17846.8580 0.0000 0.0000 34333.6166 -149204.7668 299.8440 -183538.3834 -149109.9878 300.0725 11.0346 39.6074 555507.2569 2.8872 2.9413 PRESSURE: 1173400 185.2 131.171 -59.6694 131.171 194.41 91.8477 -59.6681 91.8472 -110.43 GPRESSURE: 1173400 184.285 142.947 -106.444 28.3215 215.408 107.537 -30.4482 5.5179 -46.1792 PRESSAVG: 1173400 43.8822 39.9518 -18.7929 39.9518 -48.8068 -47.57 -18.793 -47.57 42.2645 GPRESSAVG: 1173400 44.7835 39.911 -19.6579 38.4307 -49.8905 -48.4069 -21.5396 -47.3722 42.3827 TIMING: 1173400 CPU: 3408.24, 0.00287749/step Wall: 3408.24, 0.00287749/step, 3.05861 hours remaining, 205.972656 MB of memory in use. ENERGY: 1173400 756.0765 2071.1176 1940.6316 109.3128 -206285.6621 17933.4251 0.0000 0.0000 34095.5375 -149379.5611 297.7648 -183475.0985 -149284.5436 299.6080 89.7267 117.8378 555252.5141 12.4466 12.4252 PRESSURE: 1173600 -217.257 193.803 -21.7957 193.804 -132.534 -92.1056 -21.7954 -92.1049 -336.801 GPRESSURE: 1173600 -206.648 230.891 63.1031 223.274 -67.4318 -95.3456 -143.804 -82.3867 -314.894 PRESSAVG: 1173600 33.2587 13.7315 74.8616 13.7314 11.7228 -14.5898 74.8618 -14.5898 -32.8012 GPRESSAVG: 1173600 32.1888 15.7221 76.3239 16.9739 12.9728 -15.4124 73.9646 -14.2958 -33.3671 TIMING: 1173600 CPU: 3408.82, 0.00290616/step Wall: 3408.82, 0.00290616/step, 3.08893 hours remaining, 205.972656 MB of memory in use. ENERGY: 1173600 753.0747 2053.9691 1949.0210 105.1275 -205579.6629 17335.5448 0.0000 0.0000 33944.7012 -149438.2246 296.4475 -183382.9258 -149336.8266 298.7085 -228.8642 -196.3245 557622.8944 4.0601 3.9315 PRESSURE: 1173800 -22.2167 -64.9317 165.489 -64.9308 101.439 -18.9801 165.488 -18.981 -299.115 GPRESSURE: 1173800 -41.2951 16.0868 180.864 -108.176 159.938 20.5982 193.272 -37.8288 -241.098 PRESSAVG: 1173800 0.212426 49.1318 -20.0499 49.1318 50.4114 -10.9103 -20.0499 -10.9103 -37.1903 GPRESSAVG: 1173800 0.561691 48.4759 -19.8157 47.7966 49.8394 -10.7442 -19.2289 -8.85756 -37.0382 TIMING: 1173800 CPU: 3409.4, 0.00291256/step Wall: 3409.4, 0.00291256/step, 3.09556 hours remaining, 205.972656 MB of memory in use. ENERGY: 1173800 758.1663 2047.2128 1992.0571 117.2702 -206233.6727 17802.8868 0.0000 0.0000 34188.9646 -149327.1149 298.5807 -183516.0795 -149234.4132 298.6011 -73.2978 -40.8183 557746.9789 4.4778 4.4543 PRESSURE: 1174000 59.8893 103.06 -76.7904 103.06 -80.8973 -61.1467 -76.7909 -61.1461 -51.6771 GPRESSURE: 1174000 40.0226 145.549 -32.4461 41.958 -92.6706 -44.0271 -62.4408 -23.0646 61.2516 PRESSAVG: 1174000 37.273 44.5944 -6.75308 44.5944 9.0655 -8.07725 -6.75312 -8.07722 -63.8654 GPRESSAVG: 1174000 38.2208 45.0568 -7.12173 43.7605 8.63808 -6.64012 -6.0768 -9.91839 -63.8834 TIMING: 1174000 CPU: 3409.98, 0.00288968/step Wall: 3409.98, 0.00288968/step, 3.07109 hours remaining, 205.972656 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: 1174000 723.1386 2137.0913 1965.1971 117.4580 -206392.2154 17848.3231 0.0000 0.0000 34351.2789 -149249.7283 299.9983 -183601.0072 -149159.9938 298.3021 -24.2284 2.8679 558110.2176 -5.8423 -5.6748 PRESSURE: 1174200 -313.514 -62.8435 -12.6242 -62.843 -49.9123 58.7422 -12.6242 58.7422 -301.837 GPRESSURE: 1174200 -276.51 -99.9928 -20.4715 -77.9235 -61.1323 157.462 -57.9813 85.8097 -230.093 PRESSAVG: 1174200 49.2584 7.91342 -26.1586 7.91341 2.54838 14.5627 -26.1585 14.5626 -46.9846 GPRESSAVG: 1174200 49.5373 9.98418 -26.9015 6.09492 2.79926 13.6115 -25.9785 15.2476 -47.6742 TIMING: 1174200 CPU: 3410.56, 0.0028888/step Wall: 3410.56, 0.0028888/step, 3.06999 hours remaining, 205.972656 MB of memory in use. ENERGY: 1174200 787.8868 2083.7375 1953.9451 112.1105 -206049.7396 17620.2934 0.0000 0.0000 34081.9069 -149409.8594 297.6458 -183491.7663 -149318.2187 298.8016 -221.7545 -189.2453 558781.3698 1.6074 1.5541 PRESSURE: 1174400 -46.3688 -97.7087 -205.784 -97.7085 150.602 174.394 -205.785 174.395 -69.0933 GPRESSURE: 1174400 -68.7645 -115.821 -188.35 -123.855 198.957 156.98 -203.793 136.149 -14.6857 PRESSAVG: 1174400 -29.3161 -1.89791 -35.2792 -1.898 11.4161 33.8518 -35.2792 33.8519 -0.441742 GPRESSAVG: 1174400 -29.1247 -3.45491 -34.9954 -0.744783 12.1325 31.5247 -33.5026 33.5485 -1.07082 TIMING: 1174400 CPU: 3411.13, 0.00287724/step Wall: 3411.13, 0.00287724/step, 3.05754 hours remaining, 205.972656 MB of memory in use. ENERGY: 1174400 759.4555 2129.2018 1961.9548 109.2037 -206212.1817 17814.1004 0.0000 0.0000 34252.8486 -149185.4168 299.1386 -183438.2654 -149077.6302 299.0942 11.7132 38.5023 557967.7249 -6.1139 -6.0210 PRESSURE: 1174600 -58.8843 34.179 97.9894 34.1797 -212.59 36.2447 97.9902 36.2445 -123.641 GPRESSURE: 1174600 -74.5095 111.972 112.111 63.0203 -174.006 21.7316 152.887 80.5116 -48.0943 PRESSAVG: 1174600 74.3558 -36.3661 70.5337 -36.366 -7.91189 45.2758 70.5337 45.2758 -66.6078 GPRESSAVG: 1174600 73.7719 -35.6371 71.7509 -36.1505 -7.19684 47.0375 69.1633 45.5171 -66.7274 TIMING: 1174600 CPU: 3411.71, 0.00287211/step Wall: 3411.71, 0.00287211/step, 3.05193 hours remaining, 205.972656 MB of memory in use. ENERGY: 1174600 752.9816 2105.5572 1965.4999 114.5426 -205735.3925 17494.5622 0.0000 0.0000 34265.5107 -149036.7382 299.2492 -183302.2489 -148934.7781 299.4042 -131.7052 -98.8700 557563.8641 -0.0546 -0.0508 PRESSURE: 1174800 -102.764 92.0404 -106.153 92.0391 -25.6641 -98.6915 -106.154 -98.6916 -240.465 GPRESSURE: 1174800 -93.838 117.401 -54.2402 80.745 69.9501 -139.705 -71.4844 2.29123 -250.466 PRESSAVG: 1174800 -30.8993 -33.3559 22.9808 -33.3559 0.130965 63.2994 22.9808 63.2994 -22.194 GPRESSAVG: 1174800 -31.5312 -34.8803 20.6257 -33.0391 0.142257 62.889 24.357 61.0893 -21.1829 TIMING: 1174800 CPU: 3412.29, 0.00288489/step Wall: 3412.29, 0.00288489/step, 3.06535 hours remaining, 205.972656 MB of memory in use. ENERGY: 1174800 720.1984 2072.2445 1999.2992 105.0005 -205826.9903 17539.4816 0.0000 0.0000 34416.9078 -148973.8583 300.5714 -183390.7661 -148873.1410 300.0132 -122.9647 -91.4512 559038.1530 -17.6541 -17.5240 PRESSURE: 1175000 -68.8565 -95.6875 -52.7668 -95.6855 30.5343 -111.517 -52.767 -111.518 126.569 GPRESSURE: 1175000 -2.3377 -16.1763 -175.745 -109.537 39.1545 -115.486 12.0223 -159.242 161.246 PRESSAVG: 1175000 -17.7566 -32.816 -12.7696 -32.816 19.4027 -30.8409 -12.7694 -30.8409 3.33857 GPRESSAVG: 1175000 -16.7649 -31.5548 -12.9326 -33.5844 18.7076 -31.7281 -11.8801 -28.8107 2.86999 TIMING: 1175000 CPU: 3412.86, 0.00286819/step Wall: 3412.86, 0.00286819/step, 3.04745 hours remaining, 205.972656 MB of memory in use. ENERGY: 1175000 761.2168 2152.4295 1966.3999 116.0218 -205960.0619 17797.1938 0.0000 0.0000 34369.6253 -148797.1748 300.1585 -183166.8001 -148706.5775 300.3069 29.4155 66.0209 557168.8349 1.6616 1.6042 PRESSURE: 1175200 -271.411 73.1506 -59.742 73.1518 -162.1 -86.5692 -59.7416 -86.5698 -152.051 GPRESSURE: 1175200 -334.825 71.33 -47.301 141.199 -76.0825 -107.529 -48.5874 -115.076 -79.5627 PRESSAVG: 1175200 -57.7521 -36.842 14.057 -36.8421 27.1148 -15.8966 14.057 -15.8966 -19.6413 GPRESSAVG: 1175200 -58.3681 -35.4366 15.8686 -38.1576 26.6367 -14.1936 13.545 -17.6583 -18.5313 TIMING: 1175200 CPU: 3413.44, 0.00290079/step Wall: 3413.44, 0.00290079/step, 3.08193 hours remaining, 205.972656 MB of memory in use. ENERGY: 1175200 757.8381 2108.4177 1966.5900 118.9651 -205707.8633 17514.1097 0.0000 0.0000 34321.3009 -148920.6418 299.7365 -183241.9427 -148820.8122 300.9211 -195.1870 -163.4902 558269.9008 -16.7596 -16.7542 PRESSURE: 1175400 -130.461 -96.7345 137.085 -96.7345 -54.1459 -116.546 137.087 -116.548 -294.106 GPRESSURE: 1175400 -145.284 -59.3324 126.422 -68.605 -28.6103 -109.613 170.973 -192.377 -211.767 PRESSAVG: 1175400 48.3192 -4.38501 5.79622 -4.38488 14.459 -10.9301 5.79618 -10.9301 -46.8174 GPRESSAVG: 1175400 48.4564 -5.93309 5.37505 -1.75853 15.251 -11.2427 4.51739 -10.3301 -46.9543 TIMING: 1175400 CPU: 3414.02, 0.00288529/step Wall: 3414.02, 0.00288528/step, 3.06529 hours remaining, 205.972656 MB of memory in use. ENERGY: 1175400 716.5664 2103.2805 1955.3957 127.0635 -205712.0679 17449.7014 0.0000 0.0000 34389.2580 -148970.8025 300.3299 -183360.0604 -148879.0625 300.6960 -159.5711 -128.5537 556822.6224 5.3203 5.5844 PRESSURE: 1175600 9.86853 160.947 5.66074 160.947 200.602 -148.05 5.65958 -148.05 279.994 GPRESSURE: 1175600 7.58846 175.474 -20.5687 170.281 254.089 -212.478 -18.242 -137.964 320.775 PRESSAVG: 1175600 1.46789 16.1689 40.5775 16.1689 -4.67913 -15.2853 40.5775 -15.2852 -9.98467 GPRESSAVG: 1175600 3.03306 15.5825 40.9685 15.1084 -5.38326 -14.6396 40.9631 -13.8413 -10.8499 TIMING: 1175600 CPU: 3414.59, 0.00288746/step Wall: 3414.59, 0.00288746/step, 3.06745 hours remaining, 205.972656 MB of memory in use. ENERGY: 1175600 776.3864 2132.9042 1974.9898 118.9185 -206488.2219 18169.1923 0.0000 0.0000 34270.6606 -149045.1700 299.2942 -183315.8307 -148954.9494 300.3850 163.4884 194.1510 556333.7176 -4.3986 -4.4000 PRESSURE: 1175800 -75.7636 48.9242 27.2089 48.924 171.794 88.7704 27.2083 88.7701 -146.641 GPRESSURE: 1175800 -24.0413 68.044 42.3379 23.5453 164.326 44.1908 -68.5958 47.3399 -96.0852 PRESSAVG: 1175800 -12.6074 52.6575 24.5495 52.6575 15.0155 -17.0191 24.5494 -17.019 -6.83068 GPRESSAVG: 1175800 -14.9534 51.454 24.0981 53.2697 14.8125 -17.6503 23.6114 -16.7087 -4.85184 TIMING: 1175800 CPU: 3415.18, 0.00290731/step Wall: 3415.18, 0.00290731/step, 3.08838 hours remaining, 205.972656 MB of memory in use. ENERGY: 1175800 774.8951 2144.9240 1942.3916 114.6334 -206568.5987 17931.7129 0.0000 0.0000 34431.0644 -149228.9773 300.6950 -183660.0416 -149131.8400 300.8931 -16.8703 14.7333 556091.5461 -1.4742 -1.6643 PRESSURE: 1176000 49.0379 -44.8955 -176.673 -44.8943 305.247 37.0942 -176.673 37.093 146.008 GPRESSURE: 1176000 92.6825 -16.0079 -194.605 -70.4413 280.431 38.6536 -73.5412 -25.3964 217.935 PRESSAVG: 1176000 1.55812 33.2539 -17.4785 33.254 30.9172 16.2787 -17.4786 16.2787 7.15711 GPRESSAVG: 1176000 3.29464 34.8165 -17.6893 32.9052 31.2153 17.2667 -15.9807 16.072 5.11757 TIMING: 1176000 CPU: 3415.76, 0.00290178/step Wall: 3415.76, 0.00290178/step, 3.08233 hours remaining, 205.972656 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: 1176000 730.2245 2094.8868 1978.0349 116.3105 -206575.6054 18041.4062 0.0000 0.0000 34313.9064 -149300.8362 299.6719 -183614.7426 -149204.5854 299.6823 166.7644 197.0164 556943.9819 13.2108 13.2092 PRESSURE: 1176200 -50.5398 -74.7908 -26.191 -74.7908 114.421 -57.5675 -26.1912 -57.5672 -228.956 GPRESSURE: 1176200 7.49696 -125.65 -68.2081 -58.4181 148.293 -168.557 8.55236 -43.6872 -227.754 PRESSAVG: 1176200 -1.19758 19.5043 -14.5614 19.5043 32.7344 -28.579 -14.5614 -28.579 -12.7482 GPRESSAVG: 1176200 -0.82902 19.0419 -14.8656 18.2027 32.4402 -30.5277 -14.7265 -29.0877 -12.5014 TIMING: 1176200 CPU: 3416.33, 0.00289174/step Wall: 3416.33, 0.00289173/step, 3.0715 hours remaining, 205.972656 MB of memory in use. ENERGY: 1176200 751.5753 2077.9886 1983.4438 107.6546 -206378.1781 17824.3910 0.0000 0.0000 34329.5118 -149303.6131 299.8082 -183633.1249 -149211.1586 299.3023 -55.0250 -23.9880 558531.9003 6.2629 6.3699 LDB: ============= START OF LOAD BALANCING ============== 3419.8 LDB: ============== END OF LOAD BALANCING =============== 3419.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3419.8 LDB: ============= START OF LOAD BALANCING ============== 3420.09 LDB: Largest compute 4820 load 0.025861 is 22.0% of average load 0.117638 LDB: Average compute 0.001731 is 1.5% of average load 0.117638 LDB: TIME 3420.1 LOAD: AVG 0.117638 MAX 0.178757 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.164 MB LDB: TIME 3420.1 LOAD: AVG 0.117638 MAX 0.178757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: TIME 3420.1 LOAD: AVG 0.117638 MAX 0.178757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3420.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3420.1 PRESSURE: 1176400 -158.61 -142.748 -7.77168 -142.748 43.8497 95.6219 -7.77086 95.6222 -429.765 GPRESSURE: 1176400 -144.895 -111.164 5.04298 -176.489 52.715 113.451 39.2528 55.8378 -352.251 PRESSAVG: 1176400 -19.9322 -54.8097 11.4042 -54.8098 96.3786 -12.5728 11.4043 -12.5729 -49.6201 GPRESSAVG: 1176400 -20.583 -54.6282 11.2516 -55.475 95.6178 -11.8723 11.9725 -12.3895 -48.2761 TIMING: 1176400 CPU: 3416.93, 0.00296465/step Wall: 3416.93, 0.00296465/step, 3.14879 hours remaining, 204.226562 MB of memory in use. ENERGY: 1176400 759.6659 2109.4584 1983.7741 115.7989 -206172.1954 17573.6018 0.0000 0.0000 34394.7043 -149235.1920 300.3775 -183629.8963 -149143.6225 299.4842 -181.5083 -148.1434 558202.6268 8.9421 8.9196 PRESSURE: 1176600 -21.3115 -12.0083 47.0849 -12.009 168.194 26.6286 47.0841 26.6291 155.263 GPRESSURE: 1176600 -1.44335 -12.2509 -17.2148 -86.1216 221.022 12.3004 42.0577 70.8311 176.257 PRESSAVG: 1176600 -14.5287 -48.3024 -25.5617 -48.3024 21.1272 -8.00047 -25.5616 -8.0004 -11.659 GPRESSAVG: 1176600 -15.0342 -46.9364 -24.6486 -47.428 22.0442 -9.25979 -25.2167 -7.819 -11.5851 TIMING: 1176600 CPU: 3417.51, 0.00291532/step Wall: 3417.51, 0.00291532/step, 3.09624 hours remaining, 204.226562 MB of memory in use. ENERGY: 1176600 769.4786 2103.5225 1982.9396 125.7775 -206312.4948 17941.2156 0.0000 0.0000 34208.2090 -149181.3519 298.7488 -183389.5609 -149081.7432 299.5023 100.7153 131.9452 556401.2773 -1.6869 -1.5250 PRESSURE: 1176800 28.418 -71.7261 17.6042 -71.7248 -286.074 69.6624 17.6046 69.6606 -275.529 GPRESSURE: 1176800 20.1975 -5.21069 57.0208 -139.753 -252.407 38.1299 -31.1415 -7.61807 -215.057 PRESSAVG: 1176800 -73.9166 21.2251 -12.0672 21.225 50.7859 37.4086 -12.0672 37.4087 59.54 GPRESSAVG: 1176800 -73.686 20.2465 -13.3758 21.6705 50.4942 37.8052 -12.0563 36.0527 59.8235 TIMING: 1176800 CPU: 3418.09, 0.00287654/step Wall: 3418.09, 0.00287654/step, 3.05488 hours remaining, 204.226562 MB of memory in use. ENERGY: 1176800 759.6321 2033.5978 1977.1465 106.8376 -205984.2099 17501.0007 0.0000 0.0000 34393.0175 -149212.9777 300.3628 -183605.9952 -149116.1010 299.3361 -177.7285 -149.0890 556200.6630 12.1364 12.2106 PRESSURE: 1177000 -173.857 -122.358 41.4607 -122.358 403.527 242.93 41.4613 242.931 24.3627 GPRESSURE: 1177000 -131.797 -180.779 12.4815 -55.257 436.547 267.655 27.552 274.71 41.0632 PRESSAVG: 1177000 -21.1381 -20.0304 57.6247 -20.0304 73.5171 12.0773 57.6246 12.0774 -89.1198 GPRESSAVG: 1177000 -21.3472 -20.6984 58.1286 -19.0916 74.3305 13.0261 58.9712 14.2898 -89.6233 TIMING: 1177000 CPU: 3418.66, 0.00288102/step Wall: 3418.66, 0.00288102/step, 3.05948 hours remaining, 204.226562 MB of memory in use. ENERGY: 1177000 773.4077 2063.8967 1956.0461 110.9033 -206809.4655 18212.1632 0.0000 0.0000 34385.4693 -149307.5791 300.2969 -183693.0485 -149201.3996 298.9728 84.6777 115.2709 556484.6603 -12.2469 -12.2134 PRESSURE: 1177200 -119.609 6.11279 -20.3881 6.11207 -143.755 39.8302 -20.3875 39.8305 -36.649 GPRESSURE: 1177200 -71.3568 -53.4198 -51.4494 -7.45745 -102.539 -2.639 7.14905 79.2782 -25.6318 PRESSAVG: 1177200 34.6903 -22.1601 -6.45663 -22.1601 22.203 -24.9085 -6.45668 -24.9085 -16.9927 GPRESSAVG: 1177200 34.0715 -22.2832 -5.53409 -24.2185 22.0276 -25.334 -7.78081 -26.3967 -16.2248 TIMING: 1177200 CPU: 3419.24, 0.00287262/step Wall: 3419.24, 0.00287262/step, 3.0504 hours remaining, 204.351562 MB of memory in use. ENERGY: 1177200 760.4459 2051.4965 1969.2240 110.3318 -206044.1043 17776.6710 0.0000 0.0000 34314.1259 -149061.8092 299.6738 -183375.9351 -148959.2992 299.6303 -100.0043 -66.5091 556794.3476 13.3002 13.2914 PRESSURE: 1177400 -38.9971 -153.594 40.1217 -153.594 -138.797 -9.3083 40.1234 -9.30882 170.859 GPRESSURE: 1177400 22.7274 -95.654 -7.48257 -170.017 -123.085 1.73773 42.0957 6.76865 176.814 PRESSAVG: 1177400 -11.8643 -19.2385 37.9776 -19.2385 33.0369 60.426 37.9776 60.4259 -7.69432 GPRESSAVG: 1177400 -11.7595 -19.0324 35.6914 -17.7142 34.1159 61.128 37.7862 61.8252 -9.1953 TIMING: 1177400 CPU: 3419.82, 0.00290729/step Wall: 3419.82, 0.00290729/step, 3.08705 hours remaining, 204.351562 MB of memory in use. ENERGY: 1177400 714.4537 2071.1171 1999.9581 122.0542 -206011.3306 17746.6786 0.0000 0.0000 34263.7095 -149093.3594 299.2335 -183357.0689 -148996.9249 299.3507 -2.3117 25.4853 556336.8765 4.4928 4.3870 PRESSURE: 1177600 -133.04 20.247 171.457 20.2475 -199.034 -33.5602 171.457 -33.5589 -351.433 GPRESSURE: 1177600 -111.946 41.4809 195.039 1.09905 -145.001 99.4815 102.568 -81.7685 -336.708 PRESSAVG: 1177600 -14.8776 17.7318 37.911 17.7317 43.1386 -12.0844 37.9109 -12.0844 -53.2625 GPRESSAVG: 1177600 -14.3958 18.591 39.0769 18.5134 42.2505 -11.6382 37.0735 -12.9002 -53.0734 TIMING: 1177600 CPU: 3420.4, 0.00289876/step Wall: 3420.4, 0.00289876/step, 3.07784 hours remaining, 204.351562 MB of memory in use. ENERGY: 1177600 726.3955 2045.3656 1941.3852 109.9915 -205766.2956 17431.8702 0.0000 0.0000 34345.0621 -149166.2255 299.9440 -183511.2876 -149066.2297 299.1981 -227.8358 -197.8852 557960.1539 -8.3338 -8.4062 PRESSURE: 1177800 132.514 1.99901 11.2392 1.99939 63.0967 -33.3345 11.2398 -33.3355 93.0716 GPRESSURE: 1177800 215.504 21.7692 -17.9998 1.46722 70.1341 -98.0732 -15.3749 -31.8866 108.54 PRESSAVG: 1177800 43.0336 -18.4574 -10.151 -18.4574 -39.3057 4.32765 -10.1509 4.32764 -15.2676 GPRESSAVG: 1177800 42.8839 -19.8756 -10.1054 -18.0602 -38.6536 5.45911 -8.26211 2.75682 -15.9176 TIMING: 1177800 CPU: 3420.97, 0.00288458/step Wall: 3420.97, 0.00288458/step, 3.06262 hours remaining, 204.351562 MB of memory in use. ENERGY: 1177800 725.8285 2091.0876 1950.4600 111.4365 -206112.3246 17783.3101 0.0000 0.0000 34062.3434 -149387.8584 297.4749 -183450.2019 -149285.0830 299.2437 96.2274 131.3927 558099.8566 -3.8466 -3.8958 PRESSURE: 1178000 68.0532 34.0752 50.2732 34.0756 379.713 -0.461485 50.2724 -0.46084 -0.0998209 GPRESSURE: 1178000 145.356 140.393 -0.246629 -32.4417 416.124 60.4395 47.8466 -0.0518566 -9.82917 PRESSAVG: 1178000 7.13248 46.4678 54.7799 46.4677 -5.48976 -13.3311 54.7798 -13.3312 -13.3296 GPRESSAVG: 1178000 6.72837 47.4442 55.4242 46.1301 -6.0746 -16.598 52.04 -11.56 -12.2266 TIMING: 1178000 CPU: 3421.55, 0.00289716/step Wall: 3421.55, 0.00289716/step, 3.07582 hours remaining, 204.351562 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: 1178000 718.3155 2064.6508 1947.9154 111.0965 -206536.7672 18067.8580 0.0000 0.0000 34111.6183 -149515.3127 297.9052 -183626.9310 -149410.0282 298.1938 149.2223 183.8836 558357.0954 -3.8956 -3.8576 PRESSURE: 1178200 -63.8672 -100.989 -42.2249 -100.988 25.4366 25.1716 -42.2251 25.1708 -164.12 GPRESSURE: 1178200 -47.8578 -62.0225 -62.6243 -97.8692 85.0584 14.356 -87.5837 -24.2558 -151.083 PRESSAVG: 1178200 -10.561 18.5007 7.17394 18.5007 4.69663 -9.76224 7.17387 -9.76221 34.3927 GPRESSAVG: 1178200 -11.3243 19.4482 5.91942 17.5868 4.82873 -9.4601 10.1822 -11.7651 34.2484 TIMING: 1178200 CPU: 3422.13, 0.00289874/step Wall: 3422.13, 0.00289874/step, 3.07734 hours remaining, 204.351562 MB of memory in use. ENERGY: 1178200 762.2300 2071.0451 1943.9399 118.7374 -206056.4316 17664.4877 0.0000 0.0000 34086.3503 -149409.6413 297.6846 -183495.9915 -149311.8757 298.0642 -67.5168 -37.9607 558179.8483 9.5095 9.2510 PRESSURE: 1178400 205.897 -78.7301 -34.2732 -78.7309 28.3943 -63.7401 -34.2743 -63.7424 -75.1098 GPRESSURE: 1178400 223.745 -107.029 -114.361 -38.8876 48.9211 -14.5162 11.1801 -95.5795 -11.7104 PRESSAVG: 1178400 -17.8291 -10.4414 -21.5461 -10.4413 -92.9175 22.695 -21.5462 22.695 29.1209 GPRESSAVG: 1178400 -16.6168 -9.25381 -20.5545 -9.45329 -93.3047 24.3655 -23.0145 22.3038 28.0239 TIMING: 1178400 CPU: 3422.71, 0.0028767/step Wall: 3422.71, 0.0028767/step, 3.05378 hours remaining, 204.554688 MB of memory in use. ENERGY: 1178400 760.8766 2060.2505 1969.3929 113.4283 -206506.1083 17998.7910 0.0000 0.0000 34207.9508 -149395.4181 298.7465 -183603.3689 -149302.5266 298.5836 53.0606 86.9853 556144.0379 -27.2086 -27.2992 PRESSURE: 1178600 -25.9339 -142.196 -78.5585 -142.194 -118.181 93.7702 -78.5598 93.7701 105.372 GPRESSURE: 1178600 31.4776 -169.909 -26.356 -149.035 -120.745 126.798 -168.395 51.4651 142.198 PRESSAVG: 1178600 6.06637 -51.9459 41.4849 -51.9458 5.54767 40.4369 41.4849 40.4368 8.85301 GPRESSAVG: 1178600 5.15097 -52.8759 41.4761 -52.7888 5.1516 41.111 40.1269 41.4048 10.231 TIMING: 1178600 CPU: 3423.29, 0.00289763/step Wall: 3423.29, 0.00289763/step, 3.07584 hours remaining, 204.554688 MB of memory in use. ENERGY: 1178600 778.3526 2046.7951 1965.6456 126.9646 -206306.7783 17764.6830 0.0000 0.0000 34233.7437 -149390.5938 298.9718 -183624.3374 -149291.8793 298.1819 -12.9144 17.6435 555544.6588 6.8224 6.8445 PRESSURE: 1178800 -1.065 67.1291 -142.837 67.1282 222.199 44.777 -142.837 44.7765 103.564 GPRESSURE: 1178800 41.4591 107.811 -125.942 53.5732 235.525 12.6694 -94.7902 30.1156 136.166 PRESSAVG: 1178800 29.5399 13.1813 -19.61 13.1813 -18.2673 71.2805 -19.61 71.2804 22.6572 GPRESSAVG: 1178800 29.9167 11.9044 -18.993 12.7163 -17.8737 70.2087 -17.0295 71.5462 21.7864 TIMING: 1178800 CPU: 3423.87, 0.0028824/step Wall: 3423.87, 0.0028824/step, 3.0595 hours remaining, 204.554688 MB of memory in use. ENERGY: 1178800 759.3099 2086.2689 1935.5426 114.2342 -206355.1057 17854.3639 0.0000 0.0000 34324.4910 -149280.8951 299.7643 -183605.3862 -149181.3316 299.5249 108.2328 137.7168 556946.6432 11.3099 11.2765 PRESSURE: 1179000 -345.907 120.209 26.8662 120.208 -174.3 -57.276 26.8661 -57.2764 -111.494 GPRESSURE: 1179000 -329.626 79.2341 29.9664 60.0749 -125.246 -47.4299 -0.444276 -103.175 -79.7895 PRESSAVG: 1179000 16.2342 -22.1446 -10.8035 -22.1447 -31.2273 2.76873 -10.8035 2.76864 -10.0735 GPRESSAVG: 1179000 17.6685 -22.0071 -14.5742 -22.0526 -31.3463 2.13817 -10.2523 2.77159 -10.861 TIMING: 1179000 CPU: 3424.45, 0.00290029/step Wall: 3424.45, 0.00290029/step, 3.07834 hours remaining, 204.554688 MB of memory in use. ENERGY: 1179000 778.0930 2126.4403 1966.6374 111.8481 -206171.1473 17642.5602 0.0000 0.0000 34329.9868 -149215.5817 299.8123 -183545.5684 -149121.9961 299.1813 -210.5671 -178.2205 556450.3838 -8.3555 -8.1796 PRESSURE: 1179200 177.51 48.4042 157.876 48.4021 34.8285 138.052 157.877 138.052 119.299 GPRESSURE: 1179200 176.345 27.2195 208.775 52.3302 91.2852 161.69 109.46 143.311 148.455 PRESSAVG: 1179200 -29.3974 48.1438 17.3124 48.1436 -2.24953 8.68067 17.3123 8.68071 53.1012 GPRESSAVG: 1179200 -31.1247 49.4576 19.5731 48.5051 -1.60692 9.3115 16.2759 10.1953 53.9181 TIMING: 1179200 CPU: 3425.03, 0.00290364/step Wall: 3425.03, 0.00290364/step, 3.08173 hours remaining, 204.554688 MB of memory in use. ENERGY: 1179200 786.3639 2113.4431 1943.8212 112.9131 -206345.3680 18065.5596 0.0000 0.0000 34126.9847 -149196.2824 298.0394 -183323.2670 -149109.4701 299.3842 110.5456 138.6951 556708.6695 7.1514 7.0621 PRESSURE: 1179400 -78.2097 -85.463 87.1662 -85.4626 6.41581 208.985 87.1669 208.985 276.454 GPRESSURE: 1179400 -11.2321 -98.9727 68.0049 -47.4003 46.5536 260.67 87.6187 132.293 271.652 PRESSAVG: 1179400 -56.2795 31.9539 23.9188 31.9538 -12.4088 -48.9357 23.9188 -48.9358 34.2929 GPRESSAVG: 1179400 -55.3913 29.3617 25.1406 34.3317 -14.0967 -47.3561 22.79 -48.967 35.1603 TIMING: 1179400 CPU: 3425.61, 0.00290087/step Wall: 3425.61, 0.00290087/step, 3.07863 hours remaining, 204.554688 MB of memory in use. ENERGY: 1179400 750.2139 2174.0167 1961.7926 113.2315 -206165.0886 17673.9643 0.0000 0.0000 34375.4904 -149116.3793 300.2097 -183491.8697 -149018.9131 299.5788 68.2201 102.3244 555780.0411 -11.4651 -11.4426 PRESSURE: 1179600 -165.081 53.4518 200.843 53.4513 -224.398 19.6726 200.844 19.6726 -279.968 GPRESSURE: 1179600 -136.913 17.727 251.928 75.7203 -216.258 77.3325 144.823 -64.5288 -208.814 PRESSAVG: 1179600 -11.728 -55.1771 23.2668 -55.1771 -8.66929 2.56518 23.2669 2.56521 33.2948 GPRESSAVG: 1179600 -12.1547 -56.2594 22.321 -55.305 -8.01295 2.45435 22.8414 0.260414 33.5778 TIMING: 1179600 CPU: 3426.18, 0.00289194/step Wall: 3426.18, 0.00289194/step, 3.06899 hours remaining, 204.554688 MB of memory in use. ENERGY: 1179600 768.7414 2125.8983 1944.7367 113.8293 -205891.8623 17454.1753 0.0000 0.0000 34284.8808 -149199.6004 299.4184 -183484.4812 -149104.2891 299.6574 -223.1489 -187.3283 556620.9044 4.2992 4.4700 PRESSURE: 1179800 -318.118 -35.9286 -10.2424 -35.929 -290.976 -53.2469 -10.2422 -53.2472 -226.292 GPRESSURE: 1179800 -311.694 5.02161 -64.8246 -68.5997 -222.347 -119.117 74.8752 -17.7797 -202.453 PRESSAVG: 1179800 -13.8617 -19.1359 65.4837 -19.1359 3.45203 2.05561 65.4836 2.05564 3.91584 GPRESSAVG: 1179800 -13.511 -19.7038 65.1026 -19.4533 3.91837 -0.796191 67.1868 3.9941 3.01593 TIMING: 1179800 CPU: 3426.76, 0.00290028/step Wall: 3426.76, 0.00290028/step, 3.07768 hours remaining, 204.554688 MB of memory in use. ENERGY: 1179800 736.4757 2086.0952 1962.9395 110.8049 -206080.4689 17568.5436 0.0000 0.0000 34408.3016 -149207.3084 300.4963 -183615.6101 -149108.1856 299.5100 -278.4619 -245.4981 558201.9344 -2.1646 -2.1922 PRESSURE: 1180000 13.5384 -4.26834 -210.365 -4.26857 -20.8771 169.366 -210.364 169.366 -122.178 GPRESSURE: 1180000 40.188 -4.00363 -271.42 -21.0293 -26.3243 255.138 -100.627 104.315 -40.9643 PRESSAVG: 1180000 -39.8298 -20.4196 -19.1724 -20.4195 -35.5268 90.524 -19.1724 90.5239 42.6384 GPRESSAVG: 1180000 -40.0701 -19.4407 -20.3632 -20.8068 -35.9642 93.1675 -20.5437 87.9488 43.1152 TIMING: 1180000 CPU: 3427.34, 0.00288553/step Wall: 3427.34, 0.00288553/step, 3.06186 hours remaining, 204.554688 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: 1180000 755.8303 2107.2651 1959.4897 110.2497 -206003.0643 17570.8195 0.0000 0.0000 34302.1530 -149197.2570 299.5692 -183499.4100 -149099.0030 298.9516 -43.1724 -9.0335 557928.4673 -10.9061 -10.9730 PRESSURE: 1180200 -26.9444 124.414 185.452 124.414 -394.919 158.946 185.452 158.946 -353.504 GPRESSURE: 1180200 14.0573 125.492 214.317 96.5709 -364.587 134.663 171.951 231.098 -324.242 PRESSAVG: 1180200 26.4045 21.9967 0.738844 21.9968 -28.739 46.7187 0.738859 46.7189 -3.41237 GPRESSAVG: 1180200 25.6367 22.023 2.44273 20.9128 -28.6316 44.3726 1.63766 49.6173 -2.56286 TIMING: 1180200 CPU: 3427.92, 0.00287905/step Wall: 3427.92, 0.00287905/step, 3.05483 hours remaining, 204.554688 MB of memory in use. ENERGY: 1180200 751.4629 2036.1527 1986.1302 125.5359 -205779.3831 17429.3746 0.0000 0.0000 34258.8273 -149191.8995 299.1909 -183450.7268 -149085.4140 299.2806 -258.4558 -224.9238 557340.1914 -1.9156 -1.8526 LDB: ============= START OF LOAD BALANCING ============== 3431.38 LDB: ============== END OF LOAD BALANCING =============== 3431.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3431.38 LDB: ============= START OF LOAD BALANCING ============== 3431.67 LDB: Largest compute 4820 load 0.027308 is 23.2% of average load 0.117610 LDB: Average compute 0.001734 is 1.5% of average load 0.117610 LDB: TIME 3431.67 LOAD: AVG 0.11761 MAX 0.176644 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.492 MB LDB: TIME 3431.67 LOAD: AVG 0.11761 MAX 0.176644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.547 MB LDB: TIME 3431.67 LOAD: AVG 0.11761 MAX 0.176644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.547 MB LDB: ============== END OF LOAD BALANCING =============== 3431.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3431.68 PRESSURE: 1180400 -112.253 -133.32 58.0026 -133.321 110.131 144.57 58.0034 144.57 -121.431 GPRESSURE: 1180400 -95.5344 -91.0015 149.08 -86.2782 159.073 53.9948 96.1839 147.928 -102.086 PRESSAVG: 1180400 -20.0357 15.0141 35.2912 15.0141 43.5258 30.9311 35.2913 30.931 -19.0278 GPRESSAVG: 1180400 -19.3079 17.5063 34.8203 16.0448 44.0193 30.57 37.6526 31.0581 -20.0493 TIMING: 1180400 CPU: 3428.51, 0.00294008/step Wall: 3428.51, 0.00294008/step, 3.11942 hours remaining, 204.050781 MB of memory in use. ENERGY: 1180400 773.9599 2056.5543 1966.1149 109.9302 -205751.7369 17653.8872 0.0000 0.0000 34034.7516 -149156.5388 297.2340 -183191.2905 -149060.6874 298.8841 -41.1846 -12.8491 557333.2613 1.4875 1.5540 PRESSURE: 1180600 -12.2695 -70.6789 -46.7481 -70.6781 -67.3372 -13.592 -46.7467 -13.5911 221.794 GPRESSURE: 1180600 55.5888 -3.78913 -71.1891 -111.362 -66.8944 -43.3659 36.1939 16.6792 254.14 PRESSAVG: 1180600 -23.7661 -0.181505 42.99 -0.181444 -14.0281 42.277 42.99 42.277 35.5167 GPRESSAVG: 1180600 -24.5101 -0.79561 42.9757 -0.974613 -13.0908 44.1098 40.2451 40.0775 35.4058 TIMING: 1180600 CPU: 3429.08, 0.00288229/step Wall: 3429.08, 0.00288229/step, 3.05795 hours remaining, 204.050781 MB of memory in use. ENERGY: 1180600 726.6994 2091.5479 1939.9760 112.7440 -206269.3927 17943.1897 0.0000 0.0000 34311.1751 -149144.0605 299.6480 -183455.2356 -149042.1105 299.2281 47.3958 80.9447 556889.8746 -0.7592 -0.7317 PRESSURE: 1180800 -6.61786 -153.484 5.87113 -153.485 102.724 136.698 5.87109 136.697 -38.0309 GPRESSURE: 1180800 37.2177 -42.9383 34.3666 -248.783 114.006 107.793 -16.2911 93.7368 5.93176 PRESSAVG: 1180800 44.2109 -21.1283 16.6682 -21.1283 -18.1126 10.0828 16.6683 10.0829 -10.6306 GPRESSAVG: 1180800 44.4705 -21.9322 17.2109 -19.5577 -19.0359 7.421 18.4158 12.5732 -9.94268 TIMING: 1180800 CPU: 3429.66, 0.00288746/step Wall: 3429.66, 0.00288746/step, 3.06327 hours remaining, 204.050781 MB of memory in use. ENERGY: 1180800 733.1736 2085.8350 1966.6428 114.5187 -206034.5319 17867.2398 0.0000 0.0000 34098.5183 -149168.6036 297.7908 -183267.1219 -149066.3934 298.7973 19.3583 52.3852 558376.5550 5.1559 5.1640 PRESSURE: 1181000 -4.2583 -15.4955 2.76208 -15.4947 21.6478 -38.1015 2.7619 -38.1023 -99.062 GPRESSURE: 1181000 10.8635 82.4533 52.2508 -34.1403 74.3169 -112.253 -20.3578 74.0875 -83.7838 PRESSAVG: 1181000 -40.7022 -13.7649 36.1196 -13.7649 60.9008 -44.9904 36.1195 -44.9905 -21.8189 GPRESSAVG: 1181000 -39.8639 -14.3007 35.6603 -14.4983 60.237 -44.5137 33.1464 -44.8955 -22.1033 TIMING: 1181000 CPU: 3430.24, 0.00288859/step Wall: 3430.24, 0.00288859/step, 3.06431 hours remaining, 204.050781 MB of memory in use. ENERGY: 1181000 745.7408 2074.7500 1967.2581 114.5935 -206070.8877 17717.1932 0.0000 0.0000 34244.6256 -149206.7265 299.0668 -183451.3521 -149111.6804 298.8174 -27.2242 0.4655 555920.5149 -0.5401 -0.5767 PRESSURE: 1181200 -114.054 10.1713 112.861 10.1724 -95.8171 70.4182 112.862 70.4177 -126.003 GPRESSURE: 1181200 -69.7891 -20.2095 93.1805 -50.2137 -57.8369 86.6723 90.8934 59.7176 -114.95 PRESSAVG: 1181200 66.6173 -7.87701 6.25065 -7.87704 -62.2532 7.80504 6.25063 7.80501 15.9903 GPRESSAVG: 1181200 66.6514 -8.40831 7.40558 -7.83071 -61.1025 7.77351 7.70355 7.6069 15.486 TIMING: 1181200 CPU: 3430.81, 0.00286792/step Wall: 3430.81, 0.00286792/step, 3.04223 hours remaining, 204.050781 MB of memory in use. ENERGY: 1181200 777.0958 2112.2321 1938.8359 107.7513 -206242.9464 17845.1294 0.0000 0.0000 34100.4825 -149361.4194 297.8080 -183461.9019 -149258.7246 298.7315 -111.9579 -80.8587 557162.5530 6.7848 7.0117 PRESSURE: 1181400 21.1494 90.95 75.6373 90.9501 -92.8508 161.167 75.6364 161.167 61.2929 GPRESSURE: 1181400 11.7437 78.0372 133.725 59.3713 -41.5385 160.414 10.5379 183.046 123.565 PRESSAVG: 1181400 -0.960187 0.130055 -2.88756 0.130065 2.07137 -16.2077 -2.8876 -16.2077 0.620214 GPRESSAVG: 1181400 -1.59663 1.9818 -5.40425 -0.337016 2.56083 -13.8342 -2.41047 -17.2145 0.671132 TIMING: 1181400 CPU: 3431.39, 0.00288604/step Wall: 3431.39, 0.00288604/step, 3.06128 hours remaining, 204.050781 MB of memory in use. ENERGY: 1181400 738.4788 2084.1758 1950.0091 108.5549 -206091.5741 17860.9863 0.0000 0.0000 34340.2341 -149009.1351 299.9018 -183349.3693 -148918.0932 298.9849 -3.4695 31.2569 558728.9035 0.5771 0.5451 PRESSURE: 1181600 -27.5022 49.0981 103.28 49.0985 307.29 109.069 103.279 109.07 -23.5909 GPRESSURE: 1181600 -23.5552 39.4194 126.841 -73.4183 353.239 147.61 88.6081 123.093 9.69438 PRESSAVG: 1181600 -5.38543 1.58939 -16.3634 1.58934 26.2822 0.2298 -16.3635 0.229769 -73.3685 GPRESSAVG: 1181600 -5.51171 1.09661 -13.4407 1.93572 25.0747 -1.72731 -17.4856 3.75523 -72.0042 TIMING: 1181600 CPU: 3431.96, 0.00287753/step Wall: 3431.96, 0.00287753/step, 3.0521 hours remaining, 204.050781 MB of memory in use. ENERGY: 1181600 742.5444 2097.0529 1964.7591 114.2237 -206354.4774 18105.4592 0.0000 0.0000 34351.6983 -148978.7398 300.0019 -183330.4381 -148880.9045 299.6305 85.3990 113.1262 559333.9986 -17.4906 -17.4804 PRESSURE: 1181800 -42.4896 97.6047 52.4968 97.6052 -222.18 -20.9073 52.4969 -20.9055 -178.405 GPRESSURE: 1181800 -2.4561 87.731 63.5422 135.114 -203.092 -43.6433 73.9231 26.5699 -153.917 PRESSAVG: 1181800 12.7474 12.1377 9.12148 12.1378 22.9077 8.5342 9.12152 8.5342 -36.1978 GPRESSAVG: 1181800 13.4065 11.6786 8.20332 12.6236 23.3268 11.0238 9.30305 3.82646 -37.4726 TIMING: 1181800 CPU: 3432.54, 0.00288755/step Wall: 3432.54, 0.00288755/step, 3.06256 hours remaining, 204.050781 MB of memory in use. ENERGY: 1181800 789.8682 2106.1279 1971.3023 112.6030 -206122.3188 17767.5506 0.0000 0.0000 34356.3415 -149018.5253 300.0425 -183374.8668 -148927.9339 299.6266 -147.6917 -119.8219 557881.5728 -0.1809 -0.2465 PRESSURE: 1182000 -142.218 -65.8805 149.74 -65.8814 2.05105 8.37599 149.74 8.37544 -174.203 GPRESSURE: 1182000 -124.48 -64.1793 103.405 -119.368 -8.19522 16.998 143.986 47.5619 -84.761 PRESSAVG: 1182000 -34.8056 6.24829 -49.6325 6.24822 59.8111 8.30962 -49.6326 8.30964 -19.9052 GPRESSAVG: 1182000 -35.0978 5.33428 -50.9307 5.79672 59.7154 7.85316 -48.4697 10.3442 -19.3642 TIMING: 1182000 CPU: 3433.11, 0.00286295/step Wall: 3433.11, 0.00286295/step, 3.03631 hours remaining, 204.109375 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: 1182000 777.6090 2066.4305 1995.4805 107.4034 -205651.3397 17621.1423 0.0000 0.0000 34030.6428 -149052.6311 297.1981 -183083.2740 -148961.4065 299.5526 -104.7900 -72.4786 557288.8320 1.7001 1.7511 PRESSURE: 1182200 286.259 52.9335 21.0963 52.9345 -130.454 81.2762 21.0954 81.2758 29.6975 GPRESSURE: 1182200 299.767 43.3479 -41.9345 51.9282 -116.882 112.467 14.4682 99.8712 88.6926 PRESSAVG: 1182200 29.9618 0.857703 -36.4701 0.857649 -77.5875 -24.2275 -36.47 -24.2276 4.15276 GPRESSAVG: 1182200 28.7587 0.690813 -35.671 1.5111 -76.9772 -27.0618 -36.1285 -23.5967 3.86216 TIMING: 1182200 CPU: 3433.69, 0.00289102/step Wall: 3433.69, 0.00289102/step, 3.06593 hours remaining, 204.136719 MB of memory in use. ENERGY: 1182200 748.8877 2040.2091 1976.3248 121.1147 -206131.6304 17875.3290 0.0000 0.0000 34156.7870 -149212.9782 298.2997 -183369.7651 -149108.0044 299.0733 61.8342 90.5259 557757.9448 -14.4910 -14.7854 PRESSURE: 1182400 72.4224 33.4005 -54.6237 33.4005 14.6387 -100.295 -54.6236 -100.296 -91.4354 GPRESSURE: 1182400 115.493 -32.8502 -17.8433 22.7485 43.0263 -102.77 -118.562 -92.9594 -76.095 PRESSAVG: 1182400 24.1263 9.29494 4.80408 9.29496 -53.14 63.0604 4.80398 63.0603 10.602 GPRESSAVG: 1182400 25.2541 9.83525 2.62837 8.38638 -54.1537 66.3129 4.17393 62.4472 11.2209 TIMING: 1182400 CPU: 3434.27, 0.00288162/step Wall: 3434.27, 0.00288162/step, 3.0558 hours remaining, 204.136719 MB of memory in use. ENERGY: 1182400 751.5960 2068.5298 2007.9671 128.2329 -206001.1195 17811.5608 0.0000 0.0000 34031.4227 -149201.8101 297.2049 -183233.2328 -149107.6910 299.2544 -1.4581 27.4749 557051.6505 -6.1373 -5.8929 PRESSURE: 1182600 93.3961 86.7003 38.9216 86.6998 16.1666 101.662 38.9215 101.66 195.265 GPRESSURE: 1182600 171.294 87.3414 -10.745 14.7241 36.5972 116.943 35.2799 106.458 187.917 PRESSAVG: 1182600 -29.0998 20.3096 -23.5049 20.3096 -44.7012 40.1222 -23.5049 40.1222 92.8167 GPRESSAVG: 1182600 -30.4587 19.3678 -22.7067 20.4982 -43.5031 39.0793 -23.2987 39.8426 92.6675 TIMING: 1182600 CPU: 3434.84, 0.00288122/step Wall: 3434.84, 0.00288122/step, 3.05521 hours remaining, 204.136719 MB of memory in use. ENERGY: 1182600 776.7023 2070.0481 1976.1562 133.4964 -206685.7389 17973.2540 0.0000 0.0000 34344.7176 -149411.3642 299.9410 -183756.0819 -149317.2132 298.9017 101.6092 131.9362 556327.7548 6.3385 6.2353 PRESSURE: 1182800 -337.351 166.311 -93.772 166.31 -358.175 -113.781 -93.7719 -113.782 -143.318 GPRESSURE: 1182800 -329.941 189.213 -68.4064 160.24 -289.856 -57.5329 -68.7804 -94.5181 -124.408 PRESSAVG: 1182800 14.8019 7.78231 -10.8193 7.78237 -40.5733 22.0996 -10.8193 22.0995 12.9516 GPRESSAVG: 1182800 15.4808 12.0743 -9.3218 7.71138 -41.1195 22.9062 -12.2079 21.0688 12.6663 TIMING: 1182800 CPU: 3435.42, 0.00287714/step Wall: 3435.42, 0.00287714/step, 3.05073 hours remaining, 204.136719 MB of memory in use. ENERGY: 1182800 771.8331 2055.5896 1967.3631 111.0597 -206209.0727 17646.9049 0.0000 0.0000 34262.7300 -149393.5922 299.2249 -183656.3222 -149295.4431 299.1201 -279.6150 -248.0683 558277.7012 -4.2733 -4.3241 PRESSURE: 1183000 46.5958 -9.72929 65.5092 -9.73006 -190.628 66.5214 65.5094 66.5228 80.7558 GPRESSURE: 1183000 83.8007 -88.5591 68.3946 51.489 -134.933 -0.324361 137.237 129.95 85.4155 PRESSAVG: 1183000 -0.553426 9.03437 -3.83667 9.03431 24.0077 0.528529 -3.8367 0.528647 -20.9641 GPRESSAVG: 1183000 -0.0742313 6.54441 -3.82124 9.28359 24.1836 -0.121101 -2.30496 1.98939 -21.5478 TIMING: 1183000 CPU: 3436, 0.00292214/step Wall: 3436, 0.00292214/step, 3.09828 hours remaining, 204.136719 MB of memory in use. ENERGY: 1183000 769.4420 1983.1898 1968.9546 113.2389 -206124.6554 17715.2020 0.0000 0.0000 34420.1322 -149154.4960 300.5996 -183574.6282 -149054.1687 298.3323 -21.0922 11.4279 557837.4888 0.8301 0.8539 PRESSURE: 1183200 80.3005 -44.8057 -3.20497 -44.8066 -17.2385 -41.6417 -3.20523 -41.6424 -198.188 GPRESSURE: 1183200 162.638 -5.35277 11.4161 -38.543 -43.3861 -29.5971 24.7964 -78.1011 -166.421 PRESSAVG: 1183200 54.6503 -9.67085 40.1126 -9.67083 -78.0771 14.821 40.1126 14.8209 61.0067 GPRESSAVG: 1183200 54.5463 -10.2232 39.9629 -10.1958 -78.9101 14.3787 38.3797 13.2493 61.4617 TIMING: 1183200 CPU: 3436.59, 0.00290764/step Wall: 3436.59, 0.00290764/step, 3.08274 hours remaining, 204.175781 MB of memory in use. ENERGY: 1183200 748.2210 2098.4260 1941.3905 112.9622 -205882.9994 17775.4395 0.0000 0.0000 34113.8383 -149092.7218 297.9246 -183206.5601 -148998.1063 299.2521 -45.0420 -15.7229 558448.8841 12.5266 12.3660 PRESSURE: 1183400 -275.078 -76.7644 -68.4878 -76.7657 -106.803 -131.146 -68.4888 -131.146 -223.966 GPRESSURE: 1183400 -271.109 -56.4195 -38.1991 -67.8283 -83.6547 -168.269 -81.0812 -61.9737 -162.662 PRESSAVG: 1183400 -25.8664 -14.4517 41.3009 -14.4516 23.141 3.85102 41.3009 3.8511 -0.932175 GPRESSAVG: 1183400 -26.4634 -14.7818 42.532 -13.0329 24.1063 3.84884 42.3027 5.06833 -1.53886 TIMING: 1183400 CPU: 3437.16, 0.0028781/step Wall: 3437.16, 0.0028781/step, 3.05126 hours remaining, 204.175781 MB of memory in use. ENERGY: 1183400 752.9462 2026.9293 1982.4202 113.7252 -205481.2113 17454.7893 0.0000 0.0000 34187.1588 -148963.2422 298.5650 -183150.4010 -148859.8219 299.2338 -201.9491 -172.4751 558402.7682 -1.2192 -1.2987 PRESSURE: 1183600 -108.991 82.274 -23.8808 82.2741 54.1615 1.87493 -23.8815 1.87459 -23.8811 GPRESSURE: 1183600 -56.7449 104.782 -79.8445 40.167 36.7707 -1.98544 8.87366 64.0222 36.4677 PRESSAVG: 1183600 19.0127 -52.6741 -58.9435 -52.6741 -44.5136 28.9981 -58.9436 28.998 2.29592 GPRESSAVG: 1183600 20.0724 -54.4591 -59.2307 -51.8785 -45.205 32.1449 -59.7202 26.6633 2.19487 TIMING: 1183600 CPU: 3437.74, 0.0028759/step Wall: 3437.74, 0.0028759/step, 3.04877 hours remaining, 204.175781 MB of memory in use. ENERGY: 1183600 753.9362 1994.1657 1975.1289 114.1547 -205555.5100 17589.0352 0.0000 0.0000 34076.1498 -149052.9394 297.5955 -183129.0892 -148955.0247 300.0483 -26.2369 5.4978 557136.5907 -7.7350 -7.6459 PRESSURE: 1183800 99.9541 -9.8784 -39.3691 -9.87755 31.188 -1.6106 -39.3692 -1.60819 -142.103 GPRESSURE: 1183800 182.353 -4.1584 22.8082 47.7732 52.0713 -4.98775 20.2414 39.5629 -136.205 PRESSAVG: 1183800 79.4748 -46.116 -44.1786 -46.1159 -25.9049 15.0791 -44.1785 15.0792 -25.6566 GPRESSAVG: 1183800 78.4329 -44.0691 -43.4918 -46.6686 -25.8862 12.7566 -44.1008 16.9148 -25.3014 TIMING: 1183800 CPU: 3438.31, 0.00288921/step Wall: 3438.31, 0.00288921/step, 3.06272 hours remaining, 204.175781 MB of memory in use. ENERGY: 1183800 762.0201 2056.9465 2005.7837 107.1618 -206162.0692 17772.2426 0.0000 0.0000 34320.1404 -149137.7742 299.7263 -183457.9145 -149042.7910 299.4022 -3.6536 32.7400 556555.1316 9.3044 9.0818 PRESSURE: 1184000 -217.93 -0.873152 13.0685 -0.874973 -90.4171 233.4 13.0684 233.399 -85.7986 GPRESSURE: 1184000 -211.725 48.7996 -27.08 17.3953 -45.7573 241.144 89.8725 208.53 -34.9933 PRESSAVG: 1184000 14.3546 -27.6019 -30.0698 -27.6019 -11.1908 59.6673 -30.0697 59.6672 5.68783 GPRESSAVG: 1184000 14.6719 -26.5793 -31.9303 -28.5393 -10.3162 59.7544 -30.0547 58.4545 5.09806 TIMING: 1184000 CPU: 3438.89, 0.00288126/step Wall: 3438.89, 0.00288126/step, 3.05414 hours remaining, 204.175781 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: 1184000 741.1983 2023.2752 1964.8989 118.3474 -206027.1871 17603.3215 0.0000 0.0000 34317.8154 -149258.3305 299.7060 -183576.1459 -149158.0851 299.0203 -131.3819 -97.4917 556651.4733 2.9505 3.1512 PRESSURE: 1184200 -163.481 159.592 106.427 159.592 312.621 -26.1841 106.427 -26.1812 213.016 GPRESSURE: 1184200 -103.103 149.609 161.732 83.4308 346.313 -11.6487 14.5821 -56.8987 216.015 PRESSAVG: 1184200 -76.7094 -29.9642 -10.0253 -29.9643 50.1974 -0.0661083 -10.0253 -0.0661452 21.693 GPRESSAVG: 1184200 -76.2768 -30.652 -10.0664 -30.2173 49.5591 0.444416 -8.16215 0.907028 21.7842 TIMING: 1184200 CPU: 3439.47, 0.00289807/step Wall: 3439.47, 0.00289807/step, 3.07179 hours remaining, 204.175781 MB of memory in use. ENERGY: 1184200 753.4705 2083.0282 1943.5421 113.0876 -206263.8027 17818.0410 0.0000 0.0000 34209.8528 -149342.7805 298.7632 -183552.6332 -149256.0171 299.2371 120.7189 153.0751 554790.9667 -1.6064 -1.6445 LDB: ============= START OF LOAD BALANCING ============== 3442.94 LDB: ============== END OF LOAD BALANCING =============== 3442.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3442.94 LDB: ============= START OF LOAD BALANCING ============== 3443.23 LDB: Largest compute 4820 load 0.026895 is 22.9% of average load 0.117629 LDB: Average compute 0.001739 is 1.5% of average load 0.117629 LDB: TIME 3443.23 LOAD: AVG 0.117629 MAX 0.176605 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 3443.23 LOAD: AVG 0.117629 MAX 0.176605 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 3443.23 LOAD: AVG 0.117629 MAX 0.176605 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 3443.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3443.24 PRESSURE: 1184400 -152.919 247.892 97.8199 247.893 -216.679 163.201 97.8197 163.201 -24.0786 GPRESSURE: 1184400 -105.967 272.64 15.321 206.12 -140.65 191.174 209.709 140.935 -40.7843 PRESSAVG: 1184400 -9.42998 5.74877 0.040991 5.74876 23.0909 15.6561 0.0409337 15.656 16.3916 GPRESSAVG: 1184400 -9.01597 5.80087 1.09775 6.98307 23.3257 14.4736 -1.34985 15.2458 16.1096 TIMING: 1184400 CPU: 3440.06, 0.00296425/step Wall: 3440.06, 0.00296425/step, 3.14178 hours remaining, 205.378906 MB of memory in use. ENERGY: 1184400 747.8914 2061.5265 1964.4582 123.1840 -206009.9404 17736.4450 0.0000 0.0000 34122.4387 -149253.9967 297.9997 -183376.4354 -149153.8034 298.7603 -131.2255 -95.8001 557353.3147 10.0175 10.1398 PRESSURE: 1184600 180.366 -80.5041 71.8359 -80.5041 45.0913 39.1639 71.8345 39.1652 -153.585 GPRESSURE: 1184600 215.803 -7.15421 62.1538 -171.777 65.5027 58.4144 117.364 8.73046 -122.578 PRESSAVG: 1184600 25.7989 3.50314 -5.99177 3.50314 89.751 19.5829 -5.9918 19.5829 -73.6232 GPRESSAVG: 1184600 25.7455 0.988619 -7.4862 4.40996 89.526 20.7043 -4.26517 20.087 -73.1375 TIMING: 1184600 CPU: 3440.64, 0.00289268/step Wall: 3440.64, 0.00289268/step, 3.06576 hours remaining, 205.585938 MB of memory in use. ENERGY: 1184600 724.4985 2091.7640 1978.3296 119.0911 -206534.7675 18064.3557 0.0000 0.0000 34354.2553 -149202.4733 300.0243 -183556.7286 -149099.6399 299.4612 23.9573 52.9093 557215.8924 13.9755 14.0447 PRESSURE: 1184800 96.0331 -59.804 129.7 -59.8046 -200.421 200.585 129.7 200.586 29.6166 GPRESSURE: 1184800 88.0466 -35.1622 109.514 -110.206 -146.198 274.661 78.7663 173.972 75.2509 PRESSAVG: 1184800 71.6656 20.6458 12.4419 20.6458 -19.7397 41.0831 12.4419 41.0831 -9.15898 GPRESSAVG: 1184800 71.1346 24.1436 12.2771 18.9789 -18.8124 40.9354 11.9428 41.8008 -9.8142 TIMING: 1184800 CPU: 3441.22, 0.00290787/step Wall: 3441.22, 0.00290787/step, 3.0817 hours remaining, 205.585938 MB of memory in use. ENERGY: 1184800 746.1516 2116.2865 1972.7422 113.5155 -206193.6069 17665.1820 0.0000 0.0000 34325.5665 -149254.1625 299.7737 -183579.7290 -149154.0695 299.3879 -24.9238 5.6999 555701.6977 14.2556 14.1693 PRESSURE: 1185000 -216.88 95.5603 -83.4956 95.5597 -95.5056 -114.267 -83.4965 -114.266 -23.8751 GPRESSURE: 1185000 -165.096 166.303 -98.4668 21.4318 -85.6114 -3.75087 -89.0683 -119.154 20.8737 PRESSAVG: 1185000 -4.55539 -24.1407 16.75 -24.1407 5.28388 -30.5721 16.75 -30.5721 21.2489 GPRESSAVG: 1185000 -5.04922 -24.9387 19.1193 -23.3913 6.58865 -31.0058 14.7561 -31.4811 20.4707 TIMING: 1185000 CPU: 3441.81, 0.00291653/step Wall: 3441.81, 0.00291653/step, 3.09072 hours remaining, 205.585938 MB of memory in use. ENERGY: 1185000 744.2224 2154.1736 1958.0114 117.6028 -206276.1479 17738.5269 0.0000 0.0000 34438.9726 -149124.6381 300.7641 -183563.6107 -149031.3161 299.6834 -112.0870 -76.6112 558027.4993 7.3258 7.3367 PRESSURE: 1185200 6.79635 -54.3493 -47.0475 -54.3479 -253.845 -131.718 -47.0464 -131.719 228.962 GPRESSURE: 1185200 44.5528 14.7947 -4.34923 -86.0656 -222.218 -119.519 -52.5618 -186.68 262.263 PRESSAVG: 1185200 -2.22115 -38.0096 20.6796 -38.0095 23.6212 26.0079 20.6796 26.0079 -49.7437 GPRESSAVG: 1185200 -1.93909 -36.567 17.2856 -39.7744 21.9479 25.3396 23.6415 26.3602 -48.3651 TIMING: 1185200 CPU: 3442.38, 0.00289123/step Wall: 3442.38, 0.00289123/step, 3.06374 hours remaining, 205.585938 MB of memory in use. ENERGY: 1185200 761.1223 2100.7298 1979.5180 111.5055 -206176.3082 17824.8545 0.0000 0.0000 34163.3503 -149235.2278 298.3570 -183398.5780 -149142.7156 299.1457 -6.0291 28.1993 556693.0729 -9.4479 -9.4521 PRESSURE: 1185400 15.196 14.1101 21.8255 14.11 170.076 -70.8951 21.8254 -70.896 -83.7076 GPRESSURE: 1185400 42.1934 14.9898 -41.1505 4.01947 203.288 -43.002 25.4657 -27.9988 -52.6093 PRESSAVG: 1185400 -15.812 2.92213 -12.1491 2.92229 27.5341 10.1183 -12.1489 10.1182 -1.06951 GPRESSAVG: 1185400 -15.2346 1.33292 -10.0902 5.69804 26.989 10.0953 -13.3755 10.5132 -0.695006 TIMING: 1185400 CPU: 3442.96, 0.00288523/step Wall: 3442.96, 0.00288523/step, 3.05722 hours remaining, 205.585938 MB of memory in use. ENERGY: 1185400 740.0930 2033.8287 1995.2568 116.1860 -206315.9285 17901.9022 0.0000 0.0000 34268.5429 -149260.1188 299.2757 -183528.6618 -149161.6547 299.1873 33.8548 64.2906 557120.5115 3.5509 3.6865 PRESSURE: 1185600 17.1224 -50.8867 134.43 -50.8868 124.541 120.329 134.43 120.33 -3.00552 GPRESSURE: 1185600 49.6851 -104.191 188.634 -23.1062 148.997 163.77 77.9938 113.758 39.3349 PRESSAVG: 1185600 60.8823 46.6282 25.1084 46.6282 -14.0409 31.933 25.1084 31.933 -39.1749 GPRESSAVG: 1185600 59.3697 47.9359 24.8254 45.0415 -13.0067 32.1507 24.7035 30.6129 -38.9528 TIMING: 1185600 CPU: 3443.54, 0.00289257/step Wall: 3443.54, 0.00289257/step, 3.06484 hours remaining, 205.585938 MB of memory in use. ENERGY: 1185600 753.6369 2049.2017 1988.0886 117.7002 -205998.2744 17716.5717 0.0000 0.0000 34214.3102 -149158.7651 298.8021 -183373.0752 -149055.9403 299.1374 46.2194 79.3389 555886.5708 2.5555 2.4701 PRESSURE: 1185800 -174.142 -0.607094 -26.9689 -0.606237 -117.175 -27.5225 -26.9693 -27.5221 -43.2182 GPRESSURE: 1185800 -129.354 25.7182 2.05847 -34.4094 -98.1863 33.4848 48.2524 -122.096 -14.7918 PRESSAVG: 1185800 -39.2803 3.30357 14.7926 3.3036 34.7342 -30.5058 14.7926 -30.5057 36.3446 GPRESSAVG: 1185800 -37.5548 1.3512 14.7593 4.33594 33.1461 -30.1526 15.3452 -28.8438 36.0041 TIMING: 1185800 CPU: 3444.12, 0.00290651/step Wall: 3444.12, 0.00290651/step, 3.07944 hours remaining, 205.585938 MB of memory in use. ENERGY: 1185800 743.4160 2107.2678 1980.4904 117.3969 -206008.5171 17624.5213 0.0000 0.0000 34187.6936 -149247.7312 298.5696 -183435.4248 -149149.7062 298.3884 -111.5116 -80.7773 557153.7778 10.5995 10.5318 PRESSURE: 1186000 -232.709 -25.3688 166.536 -25.368 132.93 66.9979 166.535 66.9985 -95.6569 GPRESSURE: 1186000 -129.902 -7.32295 115.228 -12.8036 60.2665 44.9875 171.615 84.9011 -31.5251 PRESSAVG: 1186000 -14.401 45.2738 6.59218 45.2737 42.6229 20.3405 6.59217 20.3405 -3.34099 GPRESSAVG: 1186000 -14.4584 47.3141 6.45681 43.1943 42.8832 18.0585 4.87313 20.1598 -3.43445 TIMING: 1186000 CPU: 3444.7, 0.00287751/step Wall: 3444.7, 0.00287751/step, 3.04857 hours remaining, 205.585938 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: 1186000 774.0788 2021.8376 1990.5631 115.3887 -206470.6914 17962.6207 0.0000 0.0000 34325.5171 -149280.6854 299.7733 -183606.2025 -149183.5085 299.2383 -65.1453 -33.7202 557403.6226 8.2936 8.3301 PRESSURE: 1186200 -85.5285 -14.2758 15.9791 -14.2752 -208.147 47.9587 15.9782 47.957 -202.086 GPRESSURE: 1186200 -26.0134 -71.2747 45.3098 -12.8467 -215.131 140.218 -51.5709 -18.215 -156.776 PRESSAVG: 1186200 -3.76724 -3.20976 1.99095 -3.20976 -29.3232 60.837 1.99101 60.8371 -21.8342 GPRESSAVG: 1186200 -4.08237 -4.17809 0.947425 -1.39446 -28.9364 62.38 3.00728 60.0383 -22.1045 TIMING: 1186200 CPU: 3445.28, 0.00289251/step Wall: 3445.28, 0.00289251/step, 3.0643 hours remaining, 205.585938 MB of memory in use. ENERGY: 1186200 756.0581 2073.2131 1942.4540 113.5007 -206340.4951 17758.2671 0.0000 0.0000 34283.0980 -149413.9040 299.4028 -183697.0021 -149315.2508 298.6994 -165.2540 -132.6402 558580.6768 -18.3082 -18.3744 PRESSURE: 1186400 -80.1216 -68.1391 125.237 -68.1387 -13.8643 152.449 125.237 152.448 -215.489 GPRESSURE: 1186400 -30.5867 26.6973 121.747 3.44988 33.9765 143.704 142.645 152.846 -220.453 PRESSAVG: 1186400 -12.7793 22.4071 12.2268 22.4071 -7.88068 15.0113 12.2269 15.0113 -11.9091 GPRESSAVG: 1186400 -11.7046 22.6925 12.5897 22.0303 -7.99407 15.5839 10.6379 13.423 -12.8043 TIMING: 1186400 CPU: 3445.86, 0.00290577/step Wall: 3445.86, 0.00290577/step, 3.07818 hours remaining, 205.585938 MB of memory in use. ENERGY: 1186400 706.2100 2116.4718 1962.1797 111.4379 -206303.5169 17840.1442 0.0000 0.0000 34069.3880 -149497.6855 297.5364 -183567.0734 -149400.4392 298.7089 -103.1583 -72.3542 557874.0516 -10.8564 -10.8343 PRESSURE: 1186600 4.86931 -67.5969 -6.42462 -67.5986 14.9314 98.3922 -6.42448 98.3936 73.4714 GPRESSURE: 1186600 57.2421 -28.7643 -7.09922 -157.076 98.4441 151.742 97.9783 86.7125 52.582 PRESSAVG: 1186600 33.5882 47.4041 9.70375 47.404 17.7334 24.7516 9.70371 24.7515 -23.3909 GPRESSAVG: 1186600 32.6865 47.5213 8.36213 47.1061 18.4478 23.6102 14.2418 26.3607 -23.0445 TIMING: 1186600 CPU: 3446.44, 0.00290797/step Wall: 3446.44, 0.00290797/step, 3.08035 hours remaining, 205.585938 MB of memory in use. ENERGY: 1186600 735.1731 2100.7679 1947.0150 109.2172 -206451.3879 17842.8764 0.0000 0.0000 34365.1584 -149351.1800 300.1195 -183716.3383 -149247.8799 299.1511 31.0907 69.4227 556539.8404 9.3102 9.3633 PRESSURE: 1186800 75.9385 72.6935 69.9041 72.6927 85.715 -201.496 69.9043 -201.497 -245.825 GPRESSURE: 1186800 79.6091 54.3475 93.0523 104.705 146.632 -153.287 0.417072 -171.69 -196.151 PRESSAVG: 1186800 8.31511 -23.0989 -4.60817 -23.099 25.7698 25.0841 -4.60807 25.0842 -50.6286 GPRESSAVG: 1186800 7.45162 -22.6319 -2.61826 -23.3904 25.2419 25.5967 -7.90439 26.6817 -49.4347 TIMING: 1186800 CPU: 3447.02, 0.0029044/step Wall: 3447.02, 0.0029044/step, 3.07641 hours remaining, 205.585938 MB of memory in use. ENERGY: 1186800 758.1531 2102.5407 1939.3919 96.9122 -206233.8432 17638.8907 0.0000 0.0000 34435.9298 -149262.0249 300.7375 -183697.9548 -149171.4519 298.9027 -28.0572 10.0300 555635.3546 -5.5146 -5.5804 PRESSURE: 1187000 -206.761 -163.228 -120.18 -163.227 -105.629 -2.51548 -120.18 -2.51445 59.7322 GPRESSURE: 1187000 -144.219 -201.917 -124.623 -122.831 -87.1251 -22.9373 -76.0517 -13.0555 71.05 PRESSAVG: 1187000 -6.86328 -24.4325 0.987557 -24.4324 2.94141 -32.3248 0.987566 -32.3249 4.48606 GPRESSAVG: 1187000 -6.94741 -26.5198 -0.017799 -22.9253 3.0977 -33.2007 0.827291 -34.7404 4.73084 TIMING: 1187000 CPU: 3447.6, 0.0028819/step Wall: 3447.6, 0.0028819/step, 3.05241 hours remaining, 205.585938 MB of memory in use. ENERGY: 1187000 747.5080 2104.5592 1940.2899 107.2549 -206187.6879 17714.0108 0.0000 0.0000 34248.6099 -149325.4552 299.1016 -183574.0651 -149226.2634 299.1245 -84.2192 -53.4313 555663.3015 0.1881 0.2937 PRESSURE: 1187200 -194.657 -46.6714 -168.472 -46.6707 -163.72 -44.2698 -168.471 -44.2693 -280.294 GPRESSURE: 1187200 -241.336 2.57029 -68.0774 -26.454 -38.9754 -33.775 -165.122 -57.5866 -281.619 PRESSAVG: 1187200 -8.48582 46.973 28.6927 46.973 -40.2225 -5.02319 28.6928 -5.02319 49.4344 GPRESSAVG: 1187200 -7.20925 49.6 27.1352 44.3461 -39.9945 -0.905758 29.6908 -5.83751 48.1613 TIMING: 1187200 CPU: 3448.17, 0.00286214/step Wall: 3448.17, 0.00286214/step, 3.03132 hours remaining, 205.585938 MB of memory in use. ENERGY: 1187200 750.7878 2106.6550 1954.2061 109.4655 -205811.8987 17460.2297 0.0000 0.0000 34216.4715 -149214.0831 298.8210 -183430.5546 -149120.1880 299.4813 -212.8903 -187.3100 556361.8867 0.2420 0.3192 PRESSURE: 1187400 191.098 -126.094 25.7277 -126.096 391.891 67.7967 25.7286 67.796 -221.481 GPRESSURE: 1187400 259.303 -82.6128 26.7384 -152.083 349.369 47.5468 91.2855 166.461 -149.636 PRESSAVG: 1187400 -34.4633 -8.93288 -25.278 -8.93287 22.3111 -19.2463 -25.278 -19.2464 -35.9202 GPRESSAVG: 1187400 -34.4877 -8.73024 -22.6524 -7.85674 21.8449 -20.9207 -26.2285 -17.362 -35.5666 TIMING: 1187400 CPU: 3448.74, 0.00285082/step Wall: 3448.74, 0.00285082/step, 3.01917 hours remaining, 205.585938 MB of memory in use. ENERGY: 1187400 720.3332 2088.9322 1987.9872 121.3747 -206423.3335 17883.0322 0.0000 0.0000 34378.9049 -149242.7692 300.2395 -183621.6741 -149151.8784 299.2686 120.5025 153.0123 554260.6771 -16.0241 -16.0698 PRESSURE: 1187600 -7.42836 42.5407 -40.7605 42.5389 -167.268 -14.8382 -40.7602 -14.8367 -29.3776 GPRESSURE: 1187600 -36.1182 76.5456 -52.5987 -20.4256 -78.5287 -58.5131 -65.8807 -64.2102 8.5574 PRESSAVG: 1187600 18.911 -50.9979 -21.7388 -50.9979 16.2183 -37.9539 -21.7389 -37.954 -51.9024 GPRESSAVG: 1187600 16.7167 -49.8319 -23.0366 -53.5951 17.1016 -39.2714 -21.5605 -39.3758 -50.1231 TIMING: 1187600 CPU: 3449.32, 0.00288447/step Wall: 3449.32, 0.00288447/step, 3.05466 hours remaining, 205.585938 MB of memory in use. ENERGY: 1187600 747.4186 2112.7918 1975.7215 124.5890 -206393.6220 17830.6683 0.0000 0.0000 34291.4077 -149311.0251 299.4754 -183602.4329 -149217.6403 299.2767 -68.0247 -35.3632 557327.7497 -5.5910 -5.4349 PRESSURE: 1187800 -275.614 -25.2472 63.3951 -25.2474 68.6677 -43.1314 63.3954 -43.1302 -96.1121 GPRESSURE: 1187800 -238.375 -55.2602 61.7633 -5.76442 158.499 18.4933 39.0179 -77.2666 -124.884 PRESSAVG: 1187800 40.8283 -10.3541 -52.8914 -10.3541 -34.952 -11.714 -52.8913 -11.714 -17.5263 GPRESSAVG: 1187800 43.2384 -9.99387 -51.8322 -10.6686 -34.2672 -12.8243 -51.7939 -9.62846 -20.3644 TIMING: 1187800 CPU: 3449.89, 0.00288829/step Wall: 3449.89, 0.00288829/step, 3.05854 hours remaining, 205.585938 MB of memory in use. ENERGY: 1187800 748.1322 2112.4425 1995.4276 117.0220 -205881.0885 17558.5056 0.0000 0.0000 34174.0166 -149175.5420 298.4502 -183349.5586 -149084.8050 299.2925 -101.0196 -68.2532 556166.5935 -3.8833 -3.7977 PRESSURE: 1188000 -321.136 -112.99 -58.0425 -112.991 53.9659 -22.7134 -58.042 -22.7131 -14.8444 GPRESSURE: 1188000 -223.873 -237.538 -86.3657 -56.0901 39.9672 29.3714 11.0145 -120.613 -13.8552 PRESSAVG: 1188000 13.266 -46.8845 11.5272 -46.8844 16.5032 -63.3359 11.5272 -63.3359 -11.6636 GPRESSAVG: 1188000 13.807 -47.7324 12.03 -45.2758 15.4966 -62.0439 10.5109 -63.9561 -11.1086 TIMING: 1188000 CPU: 3450.47, 0.0028861/step Wall: 3450.47, 0.0028861/step, 3.05606 hours remaining, 205.585938 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: 1188000 716.2442 2046.6800 1992.6690 127.0020 -205773.8787 17550.4035 0.0000 0.0000 34185.1992 -149155.6808 298.5478 -183340.8800 -149056.2437 299.3592 -94.0047 -65.9202 556598.4177 6.0352 6.0650 PRESSURE: 1188200 -28.7651 152.526 -145.179 152.527 -186.394 -76.4427 -145.178 -76.4423 4.64296 GPRESSURE: 1188200 -41.497 104.283 -144.147 220.875 -89.2444 -96.5006 -201.7 -46.7388 17.123 PRESSAVG: 1188200 22.1298 -18.8812 -12.8781 -18.8812 -28.8314 29.9077 -12.8782 29.9078 11.7333 GPRESSAVG: 1188200 21.3015 -18.9446 -14.1447 -18.6214 -27.9987 29.979 -11.6427 26.9849 11.9988 TIMING: 1188200 CPU: 3451.05, 0.00289467/step Wall: 3451.05, 0.00289467/step, 3.06498 hours remaining, 205.585938 MB of memory in use. ENERGY: 1188200 756.7410 2093.0259 1956.0704 114.3946 -206070.9764 17674.5653 0.0000 0.0000 34446.7321 -149029.4470 300.8319 -183476.1791 -148930.6068 300.3594 -70.1720 -37.8728 556327.7816 1.6772 1.7672 LDB: ============= START OF LOAD BALANCING ============== 3454.51 LDB: ============== END OF LOAD BALANCING =============== 3454.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3454.52 LDB: ============= START OF LOAD BALANCING ============== 3454.81 LDB: Largest compute 4820 load 0.027351 is 23.3% of average load 0.117597 LDB: Average compute 0.001742 is 1.5% of average load 0.117597 LDB: TIME 3454.81 LOAD: AVG 0.117597 MAX 0.177686 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.711 MB LDB: TIME 3454.81 LOAD: AVG 0.117597 MAX 0.177686 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.715 MB LDB: TIME 3454.81 LOAD: AVG 0.117597 MAX 0.177686 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.715 MB LDB: ============== END OF LOAD BALANCING =============== 3454.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3454.82 PRESSURE: 1188400 -131.162 89.4462 -52.6614 89.4453 -58.0527 -67.4215 -52.6612 -67.4211 -308.36 GPRESSURE: 1188400 -90.0227 66.6648 -63.3957 104.904 -30.6729 -86.2346 -136.932 8.5976 -297.453 PRESSAVG: 1188400 -6.57086 7.00413 -18.7374 7.00415 11.5205 -21.3536 -18.7374 -21.3537 32.624 GPRESSAVG: 1188400 -7.55636 6.38055 -18.1325 8.27916 11.6645 -22.3162 -19.234 -20.7857 33.7349 TIMING: 1188400 CPU: 3451.64, 0.0029617/step Wall: 3451.64, 0.0029617/step, 3.13578 hours remaining, 206.035156 MB of memory in use. ENERGY: 1188400 776.1697 2090.0919 1978.7661 135.0926 -205754.2060 17468.7434 0.0000 0.0000 34102.5120 -149202.8303 297.8257 -183305.3423 -149099.0321 299.5404 -165.8584 -139.3829 556416.8285 12.5245 12.6143 PRESSURE: 1188600 -27.2766 240.782 219.948 240.782 -162.541 52.0774 219.948 52.0772 134.452 GPRESSURE: 1188600 38.4751 233.707 145.521 236.688 -146.19 -36.9506 199.676 110.508 145.825 PRESSAVG: 1188600 -14.3197 9.30917 17.3216 9.30918 50.4356 -26.4766 17.3217 -26.4766 39.14 GPRESSAVG: 1188600 -12.6718 9.31842 18.5835 10.3275 50.408 -27.3568 17.5736 -23.6267 36.9324 TIMING: 1188600 CPU: 3452.22, 0.00289841/step Wall: 3452.22, 0.00289841/step, 3.06862 hours remaining, 206.035156 MB of memory in use. ENERGY: 1188600 753.2159 2124.0596 1969.7444 113.9580 -206296.6400 17768.5792 0.0000 0.0000 34330.3141 -149236.7689 299.8152 -183567.0829 -149137.8407 299.2030 -18.4553 12.7034 556324.9856 25.0853 24.8896 PRESSURE: 1188800 -40.9159 134.005 351.5 134.006 135.075 142.875 351.499 142.874 1.49222 GPRESSURE: 1188800 -45.0461 95.0269 382.865 159.408 166.287 112.601 238.356 154.899 68.721 PRESSAVG: 1188800 -27.5981 33.8795 34.9966 33.8795 -38.4347 -6.51542 34.9965 -6.51542 61.964 GPRESSAVG: 1188800 -29.5193 32.6729 32.4244 34.0225 -38.8047 -4.86844 35.0967 -9.0908 64.1867 TIMING: 1188800 CPU: 3452.8, 0.00290391/step Wall: 3452.8, 0.00290391/step, 3.07427 hours remaining, 206.035156 MB of memory in use. ENERGY: 1188800 737.3150 2088.2459 1963.7656 108.8582 -206409.4815 17808.9314 0.0000 0.0000 34403.0310 -149299.3344 300.4502 -183702.3654 -149205.1737 299.6471 31.8837 63.3207 557221.9206 -1.3563 -1.3791 PRESSURE: 1189000 140.222 -1.95732 19.4409 -1.95617 158.602 -144.263 19.4413 -144.261 -53.5672 GPRESSURE: 1189000 201.089 79.4819 -12.6188 -3.88711 181.728 -97.5566 54.855 -151.175 -44.9445 PRESSAVG: 1189000 8.21185 -15.8742 17.1652 -15.8741 34.2594 -18.5558 17.1653 -18.5558 -38.8834 GPRESSAVG: 1189000 9.83127 -11.5262 19.288 -18.2119 33.4287 -19.199 17.8933 -16.9996 -39.2098 TIMING: 1189000 CPU: 3453.38, 0.00290051/step Wall: 3453.38, 0.00290051/step, 3.07051 hours remaining, 206.035156 MB of memory in use. ENERGY: 1189000 714.1516 2103.9364 1980.6308 105.3154 -206367.8367 17881.1487 0.0000 0.0000 34131.3870 -149451.2668 298.0779 -183582.6538 -149360.0621 298.8618 81.7523 112.6242 557098.3440 1.1960 1.3501 PRESSURE: 1189200 -150.662 -88.0317 49.8504 -88.033 18.7735 49.3818 49.8507 49.3821 -19.2683 GPRESSURE: 1189200 -92.4991 -51.8607 79.9711 -80.7543 46.7966 75.3539 72.3901 -5.79534 -10.2825 PRESSAVG: 1189200 8.27894 -42.597 56.056 -42.597 3.27255 -8.71404 56.056 -8.71417 -12.8948 GPRESSAVG: 1189200 7.88748 -44.7497 54.6741 -42.5578 4.28429 -7.57104 54.5795 -8.52267 -13.5562 TIMING: 1189200 CPU: 3453.96, 0.00288757/step Wall: 3453.96, 0.00288757/step, 3.05666 hours remaining, 206.035156 MB of memory in use. ENERGY: 1189200 745.4381 2103.4677 1974.1113 104.5179 -206424.5548 17717.4191 0.0000 0.0000 34315.0698 -149464.5309 299.6820 -183779.6007 -149370.3105 298.2332 -50.3857 -18.6617 557569.2578 -0.4478 -0.4615 PRESSURE: 1189400 -343.366 187.723 33.2332 187.721 -142.413 128.94 33.2333 128.937 -169.034 GPRESSURE: 1189400 -337.324 203.849 42.7868 119.626 -127.061 104.626 -41.6187 98.7257 -93.1066 PRESSAVG: 1189400 -67.962 24.9074 -1.6364 24.9075 43.0646 11.5506 -1.6364 11.5504 4.75351 GPRESSAVG: 1189400 -68.458 22.9403 -2.21218 26.6595 42.9035 11.7655 -0.580922 12.3331 5.36225 TIMING: 1189400 CPU: 3454.54, 0.00290937/step Wall: 3454.54, 0.00290937/step, 3.07956 hours remaining, 206.035156 MB of memory in use. ENERGY: 1189400 760.2454 2098.6831 1941.1070 105.4425 -206149.5296 17563.7043 0.0000 0.0000 34265.0201 -149415.3271 299.2449 -183680.3472 -149326.4607 298.4088 -218.2710 -185.8308 557016.7153 -6.7146 -6.7307 PRESSURE: 1189600 128.793 11.9869 47.1038 11.9864 106.294 -85.5815 47.1041 -85.5786 -118.122 GPRESSURE: 1189600 118.068 96.8043 37.9315 13.4242 90.9081 -96.2237 73.2952 42.0574 -0.242171 PRESSAVG: 1189600 0.372299 54.7528 5.34037 54.7527 22.8111 42.0748 5.34032 42.0748 25.0775 GPRESSAVG: 1189600 -0.678987 58.2415 5.20879 52.1161 23.2071 40.34 4.82013 42.9587 26.1319 TIMING: 1189600 CPU: 3455.12, 0.00288717/step Wall: 3455.12, 0.00288717/step, 3.05591 hours remaining, 206.035156 MB of memory in use. ENERGY: 1189600 789.2282 2158.7843 1982.2294 105.1092 -206783.5617 18103.4887 0.0000 0.0000 34123.9584 -149520.7636 298.0130 -183644.7220 -149420.6213 298.9195 38.9884 69.5781 556065.0591 16.0870 16.2200 PRESSURE: 1189800 -225.821 107.577 -127.361 107.576 -115.947 -48.4902 -127.361 -48.4879 264.093 GPRESSURE: 1189800 -243.118 43.4972 -77.0168 135.267 -41.009 -30.4264 -42.576 -52.1635 303.572 PRESSAVG: 1189800 15.5696 25.0023 -16.6075 25.0022 -4.8273 -15.2122 -16.6075 -15.2121 -4.29997 GPRESSAVG: 1189800 16.9705 22.3549 -15.0523 28.3205 -5.3198 -14.1661 -17.8381 -18.2368 -4.7013 TIMING: 1189800 CPU: 3455.7, 0.00289996/step Wall: 3455.7, 0.00289996/step, 3.06928 hours remaining, 206.035156 MB of memory in use. ENERGY: 1189800 745.7382 2053.7959 1999.4652 115.7110 -206601.4919 17861.9278 0.0000 0.0000 34162.9545 -149661.8992 298.3536 -183824.8537 -149564.7082 298.3248 -25.8917 6.4815 554831.0383 2.1474 2.3165 PRESSURE: 1190000 168.62 126.027 -21.999 126.028 257.689 55.2269 -21.9989 55.2274 259.38 GPRESSURE: 1190000 212.484 157.339 115.341 142.713 262.809 61.3621 -40.9758 88.4918 301.067 PRESSAVG: 1190000 16.7439 2.89316 -14.1702 2.89325 -2.67011 -7.17021 -14.1702 -7.17019 25.134 GPRESSAVG: 1190000 17.2255 5.0298 -13.8198 -0.384926 -3.05142 -7.68398 -14.7994 -6.22825 24.5218 TIMING: 1190000 CPU: 3456.28, 0.00290113/step Wall: 3456.28, 0.00290113/step, 3.07036 hours remaining, 206.035156 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: 1190000 769.4681 2102.5383 1980.5352 138.0167 -206761.5572 18140.6724 0.0000 0.0000 34179.4739 -149450.8527 298.4978 -183630.3266 -149355.8416 298.2527 228.5630 258.7866 554434.8116 13.0693 12.8987 PRESSURE: 1190200 337.878 242.25 71.4188 242.25 -147.024 27.6263 71.4182 27.6278 43.8077 GPRESSURE: 1190200 332.556 161.574 81.4925 285.033 -41.3408 -41.2332 134.57 46.0516 47.5964 PRESSAVG: 1190200 37.0804 24.0301 -13.6336 24.0301 48.2561 13.9486 -13.6337 13.9486 -26.8723 GPRESSAVG: 1190200 36.8907 23.8634 -16.281 26.4636 48.3972 13.7063 -10.9293 14.7979 -26.571 TIMING: 1190200 CPU: 3456.86, 0.00291608/step Wall: 3456.86, 0.00291608/step, 3.08603 hours remaining, 206.035156 MB of memory in use. ENERGY: 1190200 749.7984 2089.2649 1962.3878 117.4031 -206596.6258 18006.6748 0.0000 0.0000 34104.2170 -149566.8796 297.8406 -183671.0967 -149467.6227 298.3822 78.2203 112.9371 555550.3103 19.4881 19.5723 PRESSURE: 1190400 160.291 -61.0611 -50.576 -61.0618 44.9684 74.2299 -50.5766 74.2307 -70.7924 GPRESSURE: 1190400 181.917 -6.04325 -5.52729 -91.6548 60.2974 169.015 -58.7364 -1.04189 -6.36029 PRESSAVG: 1190400 28.1838 44.1533 20.8542 44.1533 -8.86849 15.0446 20.8542 15.0447 15.5657 GPRESSAVG: 1190400 28.3761 42.6226 20.6387 42.6807 -8.57707 14.235 21.9457 15.5335 15.0536 TIMING: 1190400 CPU: 3457.44, 0.00289974/step Wall: 3457.44, 0.00289974/step, 3.06857 hours remaining, 206.035156 MB of memory in use. ENERGY: 1190400 767.5511 2031.6897 1957.3722 114.5983 -206274.3410 17939.7111 0.0000 0.0000 34002.9902 -149460.4284 296.9566 -183463.4186 -149367.3682 297.9610 44.8224 78.6180 556403.2895 11.6270 11.6175 PRESSURE: 1190600 222.568 -72.1262 -43.2691 -72.1253 70.8983 4.39264 -43.2692 4.39314 5.95323 GPRESSURE: 1190600 244.407 -215.35 -27.3937 19.0196 138.185 26.0408 -128.159 123.447 6.88617 PRESSAVG: 1190600 -18.8453 -36.0019 38.4989 -36.0019 10.6211 -4.72249 38.4988 -4.72235 -22.6748 GPRESSAVG: 1190600 -18.6565 -35.8769 39.6233 -35.5652 11.1018 -2.85794 35.5466 -6.71813 -23.5993 TIMING: 1190600 CPU: 3458.02, 0.0028976/step Wall: 3458.02, 0.0028976/step, 3.06614 hours remaining, 206.035156 MB of memory in use. ENERGY: 1190600 714.4639 2082.7811 1973.0094 111.7849 -206254.1413 17830.9472 0.0000 0.0000 34159.6873 -149381.4675 298.3250 -183541.1548 -149289.0917 298.0773 99.8066 129.8262 555626.7320 -10.2997 -10.3846 PRESSURE: 1190800 -382.676 -9.91738 -28.1267 -9.91738 -280.389 5.41926 -28.1271 5.42053 -212.994 GPRESSURE: 1190800 -353.397 -2.44986 17.2841 -54.3172 -235.43 0.0530153 -31.6214 58.1989 -198.125 PRESSAVG: 1190800 8.55406 12.9065 -23.936 12.9066 -1.61176 38.5015 -23.9359 38.5016 -57.0457 GPRESSAVG: 1190800 8.48472 12.657 -25.2153 11.966 -2.5924 38.2758 -22.4159 40.2915 -56.1506 TIMING: 1190800 CPU: 3458.6, 0.00288822/step Wall: 3458.6, 0.00288822/step, 3.05606 hours remaining, 206.035156 MB of memory in use. ENERGY: 1190800 781.9481 2100.6296 1977.7197 116.4112 -205756.3592 17330.9499 0.0000 0.0000 34185.7156 -149262.9851 298.5524 -183448.7008 -149169.2324 298.7768 -292.0196 -262.3173 557815.7108 -16.7011 -16.7528 PRESSURE: 1191000 -250.69 -151.47 -18.9193 -151.468 -180.373 -24.9217 -18.9183 -24.9218 -356.5 GPRESSURE: 1191000 -241.869 -152.434 -41.6504 -194.045 -101.003 -104.482 -24.8344 5.96635 -338.357 PRESSAVG: 1191000 21.4481 -31.0516 -34.5173 -31.0515 -9.774 -14.8188 -34.5172 -14.8187 -18.574 GPRESSAVG: 1191000 22.0545 -29.3972 -32.68 -29.8355 -8.95485 -16.2755 -34.8244 -14.8704 -19.6313 TIMING: 1191000 CPU: 3459.18, 0.00290153/step Wall: 3459.18, 0.00290153/step, 3.06998 hours remaining, 206.035156 MB of memory in use. ENERGY: 1191000 753.4928 2075.2226 1958.3632 107.6567 -205805.9608 17335.2463 0.0000 0.0000 34140.9122 -149435.0670 298.1611 -183575.9792 -149348.9259 298.2745 -262.5212 -227.0767 557557.2048 -2.3000 -2.1772 PRESSURE: 1191200 -72.5832 113.71 81.6198 113.709 68.0378 -182.588 81.6186 -182.588 -49.1226 GPRESSURE: 1191200 10.2573 197.505 119.304 88.5272 73.3098 -162.209 109.818 -187.071 -38.9377 PRESSAVG: 1191200 -23.5837 -16.0861 69.883 -16.086 20.7383 -31.4183 69.8829 -31.4184 10.0506 GPRESSAVG: 1191200 -23.3091 -17.4747 69.0783 -15.9028 20.1287 -31.0408 69.6222 -31.6944 10.5813 TIMING: 1191200 CPU: 3459.76, 0.00291206/step Wall: 3459.76, 0.00291206/step, 3.08095 hours remaining, 206.035156 MB of memory in use. ENERGY: 1191200 750.4115 2072.1865 1956.3728 115.5123 -206305.6373 17909.6980 0.0000 0.0000 34066.3196 -149435.1367 297.5096 -183501.4563 -149339.7636 298.5481 -17.8893 14.8765 557371.2132 2.4017 2.4670 PRESSURE: 1191400 34.1989 -113.533 -17.2596 -113.533 108.433 -179.201 -17.26 -179.201 1.55601 GPRESSURE: 1191400 51.5625 -66.128 -10.0863 -113.926 176.803 -246.311 58.7771 -172.086 13.4275 PRESSAVG: 1191400 -43.549 -46.9505 29.0206 -46.9505 6.42961 -50.4058 29.0206 -50.4057 29.8812 GPRESSAVG: 1191400 -44.5845 -47.2793 30.401 -45.0059 6.76196 -51.1246 28.9988 -51.4772 30.5123 TIMING: 1191400 CPU: 3460.35, 0.00291947/step Wall: 3460.35, 0.00291947/step, 3.08863 hours remaining, 206.035156 MB of memory in use. ENERGY: 1191400 754.0200 2118.4401 1952.9708 120.6859 -206930.7464 18202.8536 0.0000 0.0000 34364.0248 -149417.7512 300.1096 -183781.7760 -149321.6086 298.7187 48.0626 80.5978 557070.3818 -2.4127 -2.4368 PRESSURE: 1191600 -42.581 -64.734 -2.6844 -64.7341 -90.4809 107.032 -2.68456 107.03 -15.8698 GPRESSURE: 1191600 -3.40433 -50.7351 21.8523 -40.0642 -83.659 120.401 30.8897 114.634 35.0154 PRESSAVG: 1191600 -50.6608 -53.2273 70.3115 -53.2274 -24.2692 18.6633 70.3116 18.6632 112.284 GPRESSAVG: 1191600 -50.2219 -52.3644 67.2075 -55.8511 -23.646 21.2442 71.6947 18.1065 111.272 TIMING: 1191600 CPU: 3460.93, 0.00290297/step Wall: 3460.93, 0.00290297/step, 3.07102 hours remaining, 206.035156 MB of memory in use. ENERGY: 1191600 715.3124 2069.9207 1980.9053 125.0921 -205862.8529 17583.7964 0.0000 0.0000 34083.5357 -149304.2903 297.6600 -183387.8260 -149201.3839 298.2737 -49.6439 -17.3493 558551.8180 12.4514 12.4682 PRESSURE: 1191800 -202.708 57.1031 -46.4796 57.1037 -35.1138 52.9111 -46.4791 52.9125 182.668 GPRESSURE: 1191800 -194.893 83.7274 53.4412 90.2521 -24.77 137.242 -150.623 -46.1542 248.502 PRESSAVG: 1191800 28.029 -6.39781 -13.3956 -6.39786 -4.83394 40.2273 -13.3957 40.2273 -19.7528 GPRESSAVG: 1191800 27.6925 -6.93639 -10.8739 -5.4814 -4.96075 41.1056 -14.6622 40.8589 -19.1891 TIMING: 1191800 CPU: 3461.51, 0.00289779/step Wall: 3461.51, 0.00289779/step, 3.06537 hours remaining, 206.035156 MB of memory in use. ENERGY: 1191800 740.1930 2077.2393 1964.6894 114.5418 -206056.0627 17695.6943 0.0000 0.0000 34250.5477 -149213.1572 299.1186 -183463.7050 -149128.0144 298.8808 -18.3846 9.6132 556840.4176 1.1474 1.1809 PRESSURE: 1192000 97.3968 173.135 48.599 173.134 109.95 64.5565 48.5993 64.5569 133.841 GPRESSURE: 1192000 178.986 123.103 96.6777 230.336 141.206 90.4058 11.7779 62.3872 118.759 PRESSAVG: 1192000 23.0261 -1.55727 -13.1712 -1.55728 -25.4262 19.3016 -13.1712 19.3016 10.8415 GPRESSAVG: 1192000 23.6088 -1.8664 -15.0256 -1.98427 -26.6957 16.8657 -13.3611 19.8187 11.42 TIMING: 1192000 CPU: 3462.09, 0.00292224/step Wall: 3462.09, 0.00292224/step, 3.09108 hours remaining, 206.035156 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: 1192000 732.6676 2065.6479 1954.2915 115.7998 -206085.4021 17856.6599 0.0000 0.0000 34335.1565 -149025.1790 299.8575 -183360.3356 -148933.7426 299.7556 113.7293 146.3168 557064.8817 2.8138 2.7777 PRESSURE: 1192200 229.996 65.4628 115.918 65.4628 189.7 194.78 115.918 194.78 166.28 GPRESSURE: 1192200 276.033 68.0321 58.0376 -29.2028 209.263 187.199 143.574 166.032 189.975 PRESSAVG: 1192200 6.85202 -22.5076 6.21622 -22.5076 -0.268267 17.2534 6.21622 17.2534 20.0102 GPRESSAVG: 1192200 7.21147 -20.4606 4.18167 -25.078 1.14139 16.7043 7.87484 19.9166 18.6227 TIMING: 1192200 CPU: 3462.67, 0.00289921/step Wall: 3462.67, 0.00289921/step, 3.06656 hours remaining, 206.035156 MB of memory in use. ENERGY: 1192200 737.9320 2078.4835 1991.8117 129.3878 -206468.0606 18163.8441 0.0000 0.0000 34287.9221 -149078.6795 299.4450 -183366.6016 -148986.5303 299.2538 195.3252 225.0901 557538.0572 8.8647 8.9918 LDB: ============= START OF LOAD BALANCING ============== 3466.14 LDB: ============== END OF LOAD BALANCING =============== 3466.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3466.14 LDB: ============= START OF LOAD BALANCING ============== 3466.43 LDB: Largest compute 4820 load 0.026440 is 22.5% of average load 0.117630 LDB: Average compute 0.001733 is 1.5% of average load 0.117630 LDB: TIME 3466.43 LOAD: AVG 0.11763 MAX 0.178272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.723 MB LDB: TIME 3466.43 LOAD: AVG 0.11763 MAX 0.178272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.93 MB LDB: TIME 3466.43 LOAD: AVG 0.11763 MAX 0.178272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.93 MB LDB: ============== END OF LOAD BALANCING =============== 3466.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3466.44 PRESSURE: 1192400 -197.244 -45.9791 -25.8266 -45.978 -83.7781 4.24784 -25.8271 4.24656 -186.144 GPRESSURE: 1192400 -152.071 -69.4877 59.5967 -92.3665 -71.0983 50.4598 -52.0007 17.555 -135.376 PRESSAVG: 1192400 85.0573 -31.9451 -30.0207 -31.9451 20.8468 24.294 -30.0207 24.294 -72.445 GPRESSAVG: 1192400 85.0184 -33.2076 -27.6691 -28.8262 18.8626 25.3554 -30.9332 21.1138 -70.228 TIMING: 1192400 CPU: 3463.26, 0.00295084/step Wall: 3463.26, 0.00295084/step, 3.121 hours remaining, 207.062500 MB of memory in use. ENERGY: 1192400 762.9001 2101.9215 2011.3014 121.9071 -206155.7084 17602.6670 0.0000 0.0000 34461.7352 -149093.2762 300.9629 -183555.0113 -149001.7136 299.5890 -155.7223 -119.5152 557787.9767 11.1531 11.2177 PRESSURE: 1192600 -258.575 -4.08733 -82.3584 -4.08596 -149.054 61.8712 -82.3573 61.8717 -351.902 GPRESSURE: 1192600 -262.005 -43.5687 -12.2221 49.81 -100.232 140.777 -107.966 56.925 -303.09 PRESSAVG: 1192600 -73.8637 -16.8833 -25.8643 -16.8833 60.9587 35.2442 -25.8642 35.2442 -9.10116 GPRESSAVG: 1192600 -75.3291 -19.7673 -24.0596 -15.7848 62.2846 35.2498 -26.0982 36.13 -9.61218 TIMING: 1192600 CPU: 3463.83, 0.00286662/step Wall: 3463.83, 0.00286662/step, 3.03177 hours remaining, 207.062500 MB of memory in use. ENERGY: 1192600 769.4932 2101.2166 1959.9661 124.0213 -205626.9933 17312.9853 0.0000 0.0000 34214.9749 -149144.3358 298.8079 -183359.3108 -149054.2328 299.5945 -253.1770 -221.7756 558752.2522 -7.3354 -7.5522 PRESSURE: 1192800 58.565 -126.809 77.6188 -126.808 -30.7557 29.1497 77.619 29.1515 12.6466 GPRESSURE: 1192800 97.4443 -165.241 11.7803 -213.382 -16.1529 -98.9763 53.0093 14.4516 49.2337 PRESSAVG: 1192800 -65.1637 -33.3726 -34.9403 -33.3726 61.288 -56.2269 -34.9403 -56.2269 -11.8425 GPRESSAVG: 1192800 -63.5496 -30.8057 -36.8571 -34.682 62.1885 -54.8276 -35.0013 -55.2372 -14.0504 TIMING: 1192800 CPU: 3464.41, 0.00288505/step Wall: 3464.41, 0.00288505/step, 3.0511 hours remaining, 207.062500 MB of memory in use. ENERGY: 1192800 764.3926 2074.2622 1990.7985 108.1760 -206068.7697 17765.1864 0.0000 0.0000 34406.6642 -148959.2897 300.4820 -183365.9539 -148859.1732 299.2261 13.4853 43.5084 558261.4310 -5.2394 -5.1372 PRESSURE: 1193000 -260.045 -51.8783 102.91 -51.8781 -139.111 30.2332 102.91 30.2344 4.92458 GPRESSURE: 1193000 -203.722 -30.3027 66.7729 -11.4512 -79.4253 64.0895 97.7031 5.11331 -3.4634 PRESSAVG: 1193000 -68.1278 24.133 18.7416 24.133 56.2639 24.1804 18.7416 24.1804 -8.3932 GPRESSAVG: 1193000 -69.4623 23.6644 19.1012 23.8399 55.7848 23.3048 18.5631 23.4491 -7.07969 TIMING: 1193000 CPU: 3464.99, 0.00288098/step Wall: 3464.99, 0.00288098/step, 3.04664 hours remaining, 207.171875 MB of memory in use. ENERGY: 1193000 770.9116 2104.7738 1978.0733 124.7234 -205793.7112 17498.2177 0.0000 0.0000 34431.9881 -148885.0232 300.7031 -183317.0114 -148788.3653 300.0845 -131.4106 -95.5369 559582.2830 -6.7524 -6.9191 PRESSURE: 1193200 49.4159 -97.4419 -32.5413 -97.4412 275.582 38.399 -32.5412 38.3973 147.044 GPRESSURE: 1193200 35.1076 -62.3658 47.271 -145.117 351.338 71.8571 -39.2576 64.5328 175.224 PRESSAVG: 1193200 -74.4218 -44.7591 13.5591 -44.759 68.6732 7.47408 13.5591 7.47415 -5.19657 GPRESSAVG: 1193200 -72.5254 -47.6988 13.6072 -42.6307 68.3997 6.31365 13.9367 9.26153 -6.20277 TIMING: 1193200 CPU: 3465.56, 0.0028865/step Wall: 3465.56, 0.0028865/step, 3.05231 hours remaining, 207.171875 MB of memory in use. ENERGY: 1193200 733.8232 2071.3058 1973.8777 127.3032 -206184.8681 17912.0224 0.0000 0.0000 34392.8902 -148973.6457 300.3617 -183366.5359 -148883.3148 300.0552 157.3474 187.2231 556502.0141 -3.6484 -3.4428 PRESSURE: 1193400 -178.018 -27.8234 51.0122 -27.8223 -205.161 99.5994 51.013 99.6006 -340.631 GPRESSURE: 1193400 -85.6183 -91.9896 50.2023 -14.3963 -233.465 154.668 61.5262 84.7231 -312.245 PRESSAVG: 1193400 13.5395 25.9682 43.5821 25.9683 38.8437 -16.8448 43.5821 -16.8449 -9.73236 GPRESSAVG: 1193400 10.5675 27.094 43.8355 24.1754 39.5885 -15.6047 42.7355 -18.1402 -7.71389 TIMING: 1193400 CPU: 3466.14, 0.0028863/step Wall: 3466.14, 0.0028863/step, 3.05194 hours remaining, 207.171875 MB of memory in use. ENERGY: 1193400 727.7433 2045.2414 1990.7335 108.5826 -205639.0939 17429.1660 0.0000 0.0000 34404.7282 -148932.8987 300.4650 -183337.6270 -148826.5254 300.4396 -241.2702 -210.4428 558543.9297 14.2169 14.1474 PRESSURE: 1193600 -30.6754 -89.7944 26.427 -89.7932 -16.2621 -104.119 26.4273 -104.119 46.9279 GPRESSURE: 1193600 -25.5779 -10.1778 29.6837 -107.395 30.109 -48.026 68.4222 -162.806 96.0872 PRESSAVG: 1193600 13.4471 5.46455 6.60356 5.46461 -1.10988 -28.3311 6.6035 -28.331 -47.1746 GPRESSAVG: 1193600 14.1686 8.09304 7.19135 4.65534 -1.24254 -26.8014 7.6371 -31.7115 -47.5084 TIMING: 1193600 CPU: 3466.72, 0.00288772/step Wall: 3466.72, 0.00288772/step, 3.05328 hours remaining, 207.171875 MB of memory in use. ENERGY: 1193600 736.8069 2054.1865 1999.1304 129.8553 -205748.2302 17612.1193 0.0000 0.0000 34239.2361 -148976.8957 299.0198 -183216.1317 -148887.8268 299.9677 -0.0032 33.5395 557673.6328 -11.6125 -11.5274 PRESSURE: 1193800 -174.078 -83.3508 -98.5272 -83.3506 -66.4618 -121.652 -98.5274 -121.652 -115.487 GPRESSURE: 1193800 -180.163 -110.566 -136.772 -59.5582 18.295 -22.6683 -128.354 -85.0058 -101.947 PRESSAVG: 1193800 -28.1778 -27.0577 30.7978 -27.0577 3.51628 -14.9193 30.7978 -14.9194 37.8635 GPRESSAVG: 1193800 -28.1242 -27.9252 30.4245 -28.0522 3.47745 -13.6667 30.0738 -13.7664 37.6696 TIMING: 1193800 CPU: 3467.3, 0.00290472/step Wall: 3467.3, 0.00290472/step, 3.0711 hours remaining, 207.171875 MB of memory in use. ENERGY: 1193800 740.5303 2093.7629 1961.2554 117.4796 -205620.2272 17578.3171 0.0000 0.0000 34085.6182 -149043.2638 297.6782 -183128.8820 -148947.7492 299.9797 -118.6755 -87.9385 558650.6785 4.4007 4.3410 PRESSURE: 1194000 -197.056 -35.8469 11.2383 -35.8458 -162.224 78.8968 11.2368 78.8977 -77.4208 GPRESSURE: 1194000 -217.268 -28.0836 23.3218 -118.022 -131.303 113.938 -9.1746 61.7648 -0.853921 PRESSAVG: 1194000 -57.4782 -27.4098 -21.0299 -27.4098 -1.73343 -25.5706 -21.0299 -25.5707 58.619 GPRESSAVG: 1194000 -56.1885 -28.0825 -21.3937 -26.4246 -3.32792 -28.6151 -20.4191 -23.9218 58.9079 TIMING: 1194000 CPU: 3467.88, 0.0029156/step Wall: 3467.88, 0.0029156/step, 3.08243 hours remaining, 207.171875 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: 1194000 725.4691 2091.8968 1968.2886 105.0802 -206055.3016 17679.5929 0.0000 0.0000 34376.6277 -149108.3463 300.2196 -183484.9740 -149014.5962 299.4118 -145.5667 -116.4747 559276.7256 -0.1975 -0.2028 PRESSURE: 1194200 -51.1722 11.9119 50.6644 11.9124 205.352 69.8771 50.6645 69.8785 442.348 GPRESSURE: 1194200 -8.42947 1.35189 40.0543 -23.435 210.237 28.8496 22.1137 70.8382 479.756 PRESSAVG: 1194200 -38.0068 25.5785 3.92588 25.5785 14.63 -85.5258 3.92575 -85.5258 12.8673 GPRESSAVG: 1194200 -38.338 26.6408 5.17948 23.7031 17.2357 -85.7239 2.08673 -85.1591 11.383 TIMING: 1194200 CPU: 3468.46, 0.0028793/step Wall: 3468.46, 0.0028793/step, 3.0439 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194200 742.0828 2059.0641 1965.7734 108.6282 -206227.0314 18075.4311 0.0000 0.0000 34065.4628 -149210.5890 297.5022 -183276.0518 -149116.9333 299.3309 198.8424 227.1876 557945.9619 -3.5032 -3.2398 PRESSURE: 1194400 105.768 8.22583 51.4926 8.22519 342.76 126.166 51.4918 126.165 -30.6044 GPRESSURE: 1194400 120.477 -118.802 53.4074 72.5926 355.457 190.962 66.7863 24.1181 43.1756 PRESSAVG: 1194400 -77.2989 63.197 42.7694 63.197 19.39 33.0035 42.7694 33.0035 71.0209 GPRESSAVG: 1194400 -77.308 62.495 42.6327 65.281 19.0459 32.3604 44.8264 33.7403 71.0753 TIMING: 1194400 CPU: 3469.04, 0.002891/step Wall: 3469.04, 0.002891/step, 3.05611 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194400 736.7125 2088.6210 1921.9568 111.7621 -206462.6752 18155.0943 0.0000 0.0000 34245.1479 -149203.3805 299.0714 -183448.5284 -149112.4884 298.6800 139.3078 173.0365 557760.4939 4.3707 4.2710 PRESSURE: 1194600 -92.3329 103.694 59.533 103.693 -113.997 104.563 59.533 104.562 -230.76 GPRESSURE: 1194600 -84.2532 50.2645 47.6972 84.7818 -69.5723 188.117 83.2452 19.9162 -180.508 PRESSAVG: 1194600 3.48926 -22.8064 9.42445 -22.8064 -29.7314 -0.248706 9.42448 -0.248556 50.4994 GPRESSAVG: 1194600 2.9551 -22.3793 11.8031 -23.7531 -29.5014 0.241289 7.91571 0.526641 50.9267 TIMING: 1194600 CPU: 3469.61, 0.00287732/step Wall: 3469.61, 0.00287732/step, 3.04149 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194600 755.4721 2055.1761 1955.8302 112.4209 -205905.7071 17697.9100 0.0000 0.0000 34140.6747 -149188.2230 298.1590 -183328.8977 -149084.9597 298.8002 -145.6966 -111.4446 558910.9142 8.0857 8.1268 PRESSURE: 1194800 -61.4316 -60.4228 12.4639 -60.4237 -309.907 -110.499 12.4634 -110.498 -71.2467 GPRESSURE: 1194800 -12.6976 -88.6934 40.6349 -45.2817 -287.486 -162.775 29.8266 -159.954 -48.5803 PRESSAVG: 1194800 -13.3971 -53.5418 22.4018 -53.5417 20.902 28.812 22.4019 28.8119 14.7233 GPRESSAVG: 1194800 -12.3193 -52.9694 19.8129 -55.0065 18.8309 28.0581 24.3557 28.9092 15.9667 TIMING: 1194800 CPU: 3470.19, 0.00287158/step Wall: 3470.19, 0.00287158/step, 3.03526 hours remaining, 207.242188 MB of memory in use. ENERGY: 1194800 726.6110 2054.0160 1943.4612 104.3123 -205959.0470 17567.1491 0.0000 0.0000 34125.9367 -149437.5608 298.0303 -183563.4975 -149341.3834 298.6525 -147.5284 -116.2547 559112.8118 7.4094 7.4928 PRESSURE: 1195000 -82.4082 -25.4192 54.1062 -25.419 -106.848 54.4951 54.107 54.4967 -85.0139 GPRESSURE: 1195000 -94.4079 -13.4749 107.425 -94.6241 -37.3688 100.373 15.592 15.5708 -47.9753 PRESSAVG: 1195000 -11.7598 3.94013 17.1332 3.94004 -10.1694 10.5593 17.1332 10.5593 65.9481 GPRESSAVG: 1195000 -12.6341 3.20635 19.3291 6.03591 -9.16812 10.3292 14.8224 10.2045 65.9558 TIMING: 1195000 CPU: 3470.76, 0.00287766/step Wall: 3470.76, 0.00287766/step, 3.04152 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195000 731.1218 1995.2305 1946.0666 107.2051 -206074.4204 17624.0081 0.0000 0.0000 34277.3565 -149393.4318 299.3527 -183670.7883 -149295.9767 298.1088 -91.4234 -59.9173 558491.7396 14.6730 14.7178 PRESSURE: 1195200 -123.641 -112.756 145.301 -112.754 108.475 -54.0394 145.301 -54.0405 164.503 GPRESSURE: 1195200 -86.5522 -118.704 66.5359 -116.452 194.575 -85.2853 159.684 -2.31341 132.226 PRESSAVG: 1195200 4.21124 -43.5886 28.3739 -43.5887 -26.0541 -7.16749 28.3739 -7.16752 -1.11955 GPRESSAVG: 1195200 4.0629 -41.8108 25.5689 -44.4782 -25.9716 -5.65 30.6181 -9.2277 -1.17221 TIMING: 1195200 CPU: 3471.34, 0.00286395/step Wall: 3471.34, 0.00286395/step, 3.02688 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195200 717.7391 2054.6446 1953.7435 118.0548 -206302.6085 17891.8710 0.0000 0.0000 34225.5671 -149340.9885 298.9004 -183566.5556 -149245.8311 298.2833 49.7791 80.0830 558555.9962 -7.6541 -7.6936 PRESSURE: 1195400 -9.08294 -77.6485 93.4468 -77.6486 54.5837 7.47481 93.4486 7.47459 -180.327 GPRESSURE: 1195400 -34.2858 -112.427 69.6291 -58.8677 139.526 -22.2662 86.2826 54.4213 -140.693 PRESSAVG: 1195400 -68.97 -6.20715 47.1418 -6.20721 92.2467 -29.3078 47.1418 -29.3077 25.2468 GPRESSAVG: 1195400 -67.4366 -8.36722 48.4312 -6.85721 91.7085 -31.3261 47.489 -27.2001 24.5556 TIMING: 1195400 CPU: 3471.91, 0.00286402/step Wall: 3471.91, 0.00286402/step, 3.0268 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195400 770.1469 2082.3517 1963.1852 114.6083 -206536.7158 18000.6748 0.0000 0.0000 34136.5146 -149469.2343 298.1227 -183605.7490 -149375.1667 298.5615 -44.9421 -11.8175 557231.3667 16.1745 16.2758 PRESSURE: 1195600 -146.408 -77.7337 -19.3053 -77.7336 -122.206 -40.5344 -19.3057 -40.5348 3.96236 GPRESSURE: 1195600 -110.136 60.9952 -76.9321 -91.809 -78.6903 -60.7793 21.9565 -60.303 5.9207 PRESSAVG: 1195600 -47.8533 -1.6864 8.73625 -1.68633 26.5873 -29.5311 8.73617 -29.5312 23.6502 GPRESSAVG: 1195600 -49.7789 0.0551924 8.11258 -1.50519 27.7951 -30.1538 8.60125 -29.9362 24.4608 TIMING: 1195600 CPU: 3472.48, 0.00286186/step Wall: 3472.48, 0.00286186/step, 3.02435 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195600 776.7774 2085.9298 1966.4613 107.2150 -206026.5232 17734.3122 0.0000 0.0000 33970.6716 -149385.1558 296.6743 -183355.8274 -149294.5459 298.1960 -88.2170 -60.9684 560182.9053 0.7947 0.8256 PRESSURE: 1195800 88.2975 -11.1626 -46.0087 -11.1624 21.5637 -9.97906 -46.0095 -9.97886 -211.601 GPRESSURE: 1195800 155.076 8.42596 -48.2293 -106.544 2.97414 88.0825 4.84614 -34.4531 -168.554 PRESSAVG: 1195800 6.68124 -11.2949 4.85027 -11.295 20.341 -4.19555 4.85018 -4.19553 -40.4377 GPRESSAVG: 1195800 8.47236 -12.7462 5.66661 -11.4636 20.2124 -1.89846 4.2987 -6.6423 -42.4585 TIMING: 1195800 CPU: 3473.05, 0.00285829/step Wall: 3473.05, 0.00285829/step, 3.02041 hours remaining, 207.242188 MB of memory in use. ENERGY: 1195800 745.4162 2082.0072 1970.4008 126.9274 -206424.4981 17974.1444 0.0000 0.0000 34224.6579 -149300.9442 298.8924 -183525.6021 -149202.7505 298.6507 -33.9131 -3.5010 559374.8587 -4.4718 -4.5912 PRESSURE: 1196000 211.906 -51.3843 63.8727 -51.3825 40.0506 -149.12 63.8728 -149.12 410.809 GPRESSURE: 1196000 189.893 -57.6246 53.5238 -90.4072 134.463 -118.411 71.6043 -155.597 438.187 PRESSAVG: 1196000 17.6687 10.0879 -46.6112 10.0878 47.6626 21.3058 -46.6111 21.3059 -13.9198 GPRESSAVG: 1196000 16.5228 11.6504 -46.783 11.6498 46.987 21.5441 -46.812 24.3002 -12.2028 TIMING: 1196000 CPU: 3473.63, 0.00286577/step Wall: 3473.63, 0.00286577/step, 3.02816 hours remaining, 207.242188 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: 1196000 781.9468 2038.6788 1982.0111 114.5415 -206867.3869 18315.7928 0.0000 0.0000 34438.7526 -149195.6633 300.7622 -183634.4159 -149101.5069 299.5120 220.9219 254.1808 557354.8956 17.1372 17.1024 PRESSURE: 1196200 80.1122 -108.62 89.9333 -108.619 118.856 136.485 89.9329 136.485 32.9576 GPRESSURE: 1196200 114.467 -175.497 39.977 -87.0936 165.159 138.915 161.729 84.0128 48.3623 PRESSAVG: 1196200 19.2728 -41.5183 -37.2856 -41.5182 38.668 -17.167 -37.2857 -17.167 -16.5011 GPRESSAVG: 1196200 19.485 -42.6765 -37.0216 -41.0127 38.8664 -17.1399 -36.157 -17.9044 -16.4276 TIMING: 1196200 CPU: 3474.2, 0.00289739/step Wall: 3474.2, 0.00289739/step, 3.06141 hours remaining, 207.242188 MB of memory in use. ENERGY: 1196200 736.4441 2115.8615 1983.0347 106.4077 -206473.1451 17960.0856 0.0000 0.0000 34127.7211 -149443.5904 298.0459 -183571.3115 -149341.9228 298.8292 77.3085 109.3297 556519.8401 13.8133 13.9746 LDB: ============= START OF LOAD BALANCING ============== 3477.67 LDB: ============== END OF LOAD BALANCING =============== 3477.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3477.67 LDB: ============= START OF LOAD BALANCING ============== 3477.97 LDB: Largest compute 4820 load 0.027204 is 23.1% of average load 0.117637 LDB: Average compute 0.001730 is 1.5% of average load 0.117637 LDB: TIME 3477.97 LOAD: AVG 0.117637 MAX 0.179559 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 3477.97 LOAD: AVG 0.117637 MAX 0.179559 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: TIME 3477.97 LOAD: AVG 0.117637 MAX 0.179559 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: ============== END OF LOAD BALANCING =============== 3477.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3477.98 PRESSURE: 1196400 282.458 -38.4889 25.1533 -38.4863 209.031 -33.943 25.1536 -33.9444 -98.4634 GPRESSURE: 1196400 263.502 9.83197 -48.3495 -53.7743 200.757 20.3732 15.729 -140.726 13.0797 PRESSAVG: 1196400 -19.3238 -13.163 62.2769 -13.163 45.334 5.06606 62.2769 5.0661 -64.8336 GPRESSAVG: 1196400 -19.2227 -14.0856 63.0872 -13.6336 46.4861 3.59583 59.5304 6.25272 -65.7021 TIMING: 1196400 CPU: 3474.8, 0.00297846/step Wall: 3474.8, 0.00297846/step, 3.1469 hours remaining, 204.421875 MB of memory in use. ENERGY: 1196400 735.4641 2126.6700 1981.4008 120.8475 -206296.0459 17952.0527 0.0000 0.0000 34197.4576 -149182.1531 298.6549 -183379.6107 -149085.7604 298.8148 131.0085 159.1130 556662.8605 -12.9412 -12.8129 PRESSURE: 1196600 -141.212 -106.037 6.08132 -106.038 194.197 23.563 6.08046 23.5636 -181.809 GPRESSURE: 1196600 -111.393 -90.5817 -15.9917 -119.266 246.213 69.6564 -53.5804 19.6179 -170.384 PRESSAVG: 1196600 -10.7735 -20.0239 15.9432 -20.0239 44.4571 -15.4375 15.9432 -15.4375 -23.3523 GPRESSAVG: 1196600 -9.87397 -18.4071 12.6728 -21.6579 43.8161 -14.6314 16.7376 -16.6506 -23.2223 TIMING: 1196600 CPU: 3475.38, 0.00291611/step Wall: 3475.38, 0.00291611/step, 3.08087 hours remaining, 204.882812 MB of memory in use. ENERGY: 1196600 746.2463 2075.5344 1970.9512 105.2225 -206134.5506 17874.8899 0.0000 0.0000 34049.5645 -149312.1418 297.3633 -183361.7064 -149216.4470 299.3052 -42.9414 -11.8546 557643.5410 3.4438 3.5733 PRESSURE: 1196800 -53.5623 -50.7912 -18.4051 -50.7907 -130.959 57.799 -18.4047 57.7974 -130.276 GPRESSURE: 1196800 -21.4125 -122.815 102.52 -37.9822 -122.218 49.2664 -2.14816 61.8078 -76.3235 PRESSAVG: 1196800 -70.4526 9.78786 27.2809 9.78785 20.5741 14.6093 27.281 14.6093 40.8648 GPRESSAVG: 1196800 -70.1052 11.7018 28.2442 8.93916 21.1797 13.0734 29.0403 15.4058 39.939 TIMING: 1196800 CPU: 3475.96, 0.00290529/step Wall: 3475.96, 0.0029053/step, 3.06928 hours remaining, 204.882812 MB of memory in use. ENERGY: 1196800 766.6214 2157.0559 1948.8709 109.1678 -206124.7392 17684.9139 0.0000 0.0000 34342.1355 -149115.9738 299.9184 -183458.1093 -149027.2233 299.2160 -104.9323 -73.3182 558513.8934 -3.0045 -2.9955 PRESSURE: 1197000 -23.938 85.3945 -6.80043 85.395 -100.157 90.0039 -6.80142 90.0025 -202.511 GPRESSURE: 1197000 9.96441 57.7836 -4.90742 90.9246 -5.34541 106.81 46.9815 83.7421 -234.134 PRESSAVG: 1197000 -39.1753 -19.1574 34.9986 -19.1575 9.2376 -7.35241 34.9986 -7.35239 42.4578 GPRESSAVG: 1197000 -40.2971 -21.2506 34.9611 -17.2347 9.61602 -8.15323 32.7665 -5.19534 42.9793 TIMING: 1197000 CPU: 3476.54, 0.00288526/step Wall: 3476.54, 0.00288526/step, 3.04796 hours remaining, 204.882812 MB of memory in use. ENERGY: 1197000 741.7542 2110.4305 1951.6708 114.3439 -205925.4125 17639.7466 0.0000 0.0000 34172.1123 -149195.3542 298.4336 -183367.4665 -149096.1255 299.5335 -108.8684 -76.5051 559424.2157 4.1734 4.0994 PRESSURE: 1197200 -129.116 265.157 125.617 265.156 -40.6065 64.8559 125.618 64.8573 -90.6267 GPRESSURE: 1197200 -74.894 221.828 89.0297 247.507 -51.4778 128.564 58.6783 42.4092 -29.5168 PRESSAVG: 1197200 11.2914 2.33054 63.7842 2.33058 -46.012 24.4119 63.7841 24.412 39.2304 GPRESSAVG: 1197200 11.278 1.78442 64.527 1.30456 -46.8579 25.5278 63.4331 22.3243 40.256 TIMING: 1197200 CPU: 3477.12, 0.00290695/step Wall: 3477.12, 0.00290695/step, 3.0707 hours remaining, 204.882812 MB of memory in use. ENERGY: 1197200 751.0402 2145.2948 1969.6047 122.9067 -206256.9936 17778.6997 0.0000 0.0000 34223.9859 -149265.4616 298.8866 -183489.4475 -149169.7101 298.6224 -86.7829 -51.9628 558505.1628 1.5033 1.5587 PRESSURE: 1197400 -92.4905 -34.0237 -133.264 -34.0233 -60.4824 -18.7552 -133.264 -18.7547 50.9088 GPRESSURE: 1197400 -120.069 -95.787 -170.584 24.521 -6.92295 40.0381 -54.3125 -38.7237 117.975 PRESSAVG: 1197400 -89.4379 7.0299 -11.5846 7.02984 17.6424 30.5239 -11.5847 30.5239 14.1423 GPRESSAVG: 1197400 -89.9828 6.68582 -10.8542 7.11054 19.7324 30.0253 -10.0764 31.2679 12.6049 TIMING: 1197400 CPU: 3477.7, 0.0028977/step Wall: 3477.7, 0.0028977/step, 3.06077 hours remaining, 204.882812 MB of memory in use. ENERGY: 1197400 762.6150 2165.1385 1977.1607 118.0529 -206216.1137 17926.0727 0.0000 0.0000 34035.6587 -149231.4152 297.2419 -183267.0739 -149137.8340 298.8891 -34.0214 -3.0058 559153.8334 -19.2177 -19.2151 PRESSURE: 1197600 165.077 -95.4256 116.701 -95.4255 110.22 168.802 116.699 168.804 -85.4029 GPRESSURE: 1197600 222.544 -41.6011 111.03 -57.8211 115.48 175.688 133.228 182.561 -53.2588 PRESSAVG: 1197600 -20.7105 4.84445 -54.3626 4.84442 2.74344 57.5877 -54.3626 57.5878 -5.26243 GPRESSAVG: 1197600 -20.2328 5.31924 -55.6573 7.26292 0.888338 60.0694 -55.2017 55.9396 -3.70205 TIMING: 1197600 CPU: 3478.28, 0.00289531/step Wall: 3478.28, 0.00289531/step, 3.05809 hours remaining, 204.882812 MB of memory in use. ENERGY: 1197600 748.2538 2128.3844 1955.4331 111.1140 -206270.0458 17970.0192 0.0000 0.0000 34358.7261 -148998.1152 300.0633 -183356.8413 -148898.1944 299.4170 63.2979 94.9215 558296.1516 -7.7432 -7.6822 PRESSURE: 1197800 -9.96453 106.173 35.016 106.173 -156.041 -93.1483 35.0166 -93.149 118.935 GPRESSURE: 1197800 52.7794 138.363 40.9274 88.2928 -129.335 -65.4757 8.648 -190.314 133.789 PRESSAVG: 1197800 3.26622 -47.1391 15.0269 -47.1393 9.62086 -16.7284 15.027 -16.7284 23.7018 GPRESSAVG: 1197800 3.60746 -47.9904 15.9433 -46.5348 10.5469 -18.3565 15.4512 -16.7004 23.2719 TIMING: 1197800 CPU: 3478.86, 0.00288688/step Wall: 3478.86, 0.00288688/step, 3.04903 hours remaining, 204.882812 MB of memory in use. ENERGY: 1197800 721.3869 2147.0500 1968.6425 110.8983 -205999.9541 17790.0299 0.0000 0.0000 34049.0023 -149212.9442 297.3584 -183261.9465 -149110.5626 299.3549 -15.6900 19.0778 557769.8454 12.1963 12.4754 PRESSURE: 1198000 -172.434 -69.0942 52.341 -69.0944 -151.315 17.2558 52.3403 17.2549 -141.398 GPRESSURE: 1198000 -125.019 -121.472 -1.23291 -106.78 -173.182 -4.34143 -4.35404 41.6053 -76.7199 PRESSAVG: 1198000 0.35783 -41.4749 -13.6419 -41.4749 29.3914 -31.6521 -13.6418 -31.6521 -27.6003 GPRESSAVG: 1198000 1.2357 -39.4384 -15.1362 -44.5263 27.7945 -30.7734 -14.0882 -30.8519 -26.6659 TIMING: 1198000 CPU: 3479.44, 0.00287992/step Wall: 3479.44, 0.00287992/step, 3.04151 hours remaining, 204.882812 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: 1198000 773.0233 2106.3376 1940.6775 115.3100 -206296.8266 17642.3777 0.0000 0.0000 34362.4444 -149356.6560 300.0958 -183719.1004 -149256.2811 299.2256 -155.0491 -124.9735 558399.3021 0.7163 0.7881 PRESSURE: 1198200 243.915 -33.3125 95.415 -33.3124 26.8328 13.3858 95.4166 13.3849 135.649 GPRESSURE: 1198200 285.325 -23.2786 -7.26017 -14.391 74.9422 -14.8886 175.298 -13.0714 149.234 PRESSAVG: 1198200 -2.7999 -46.4692 -13.5283 -46.4692 -22.6143 -13.6016 -13.5282 -13.6016 14.3362 GPRESSAVG: 1198200 -5.13033 -45.9006 -13.2386 -46.3126 -21.2914 -13.7905 -12.5933 -13.2131 15.3224 TIMING: 1198200 CPU: 3480.01, 0.00288206/step Wall: 3480.01, 0.00288206/step, 3.04361 hours remaining, 204.882812 MB of memory in use. ENERGY: 1198200 759.7204 2097.6926 1948.7504 109.2457 -206659.8696 18117.8920 0.0000 0.0000 34125.4663 -149501.1021 298.0262 -183626.5684 -149404.1167 298.4056 135.4654 169.8339 557056.2046 -3.6927 -3.6998 PRESSURE: 1198400 -51.4875 -22.1717 -54.9109 -22.1717 184.96 -32.4539 -54.9113 -32.4536 -178.881 GPRESSURE: 1198400 -24.7976 -93.0776 -68.6178 -30.413 214.642 -94.9621 -23.652 15.6689 -136.32 PRESSAVG: 1198400 -11.0935 -48.3936 -14.6746 -48.3936 -21.6587 30.4555 -14.6746 30.4556 17.9543 GPRESSAVG: 1198400 -10.7879 -51.7157 -13.6618 -46.8151 -21.031 31.3532 -15.0528 30.8627 17.5753 TIMING: 1198400 CPU: 3480.59, 0.00288668/step Wall: 3480.59, 0.00288668/step, 3.04833 hours remaining, 204.882812 MB of memory in use. ENERGY: 1198400 779.8610 2117.6015 1970.0725 110.5696 -206401.9207 17873.0902 0.0000 0.0000 34164.7956 -149385.9303 298.3697 -183550.7259 -149283.7292 298.6830 -15.1361 17.8414 558125.9731 -4.9326 -4.7479 PRESSURE: 1198600 58.3388 116.15 10.1597 116.149 65.3225 122.921 10.1597 122.922 -133.669 GPRESSURE: 1198600 119.388 181.774 -136.437 55.5965 47.5129 116.078 13.3638 89.9435 -86.0421 PRESSAVG: 1198600 22.5726 -22.5005 -12.1079 -22.5005 -24.3837 38.2825 -12.108 38.2826 29.107 GPRESSAVG: 1198600 22.7232 -20.5038 -14.0521 -23.9354 -24.5758 38.6534 -12.3584 36.9284 29.2478 TIMING: 1198600 CPU: 3481.17, 0.00290098/step Wall: 3481.17, 0.00290098/step, 3.06328 hours remaining, 204.882812 MB of memory in use. ENERGY: 1198600 775.9644 2110.1667 1991.1382 105.3666 -206661.9646 17990.5003 0.0000 0.0000 34135.9751 -149552.8533 298.1180 -183688.8284 -149453.4456 298.1138 -3.3359 26.9528 557438.9033 9.0987 9.1317 PRESSURE: 1198800 -302.869 116.023 50.1366 116.022 -50.1579 49.2357 50.1349 49.2355 -76.9846 GPRESSURE: 1198800 -299.605 112.164 35.5895 87.6876 13.7648 92.4125 -24.481 -59.9028 -38.5678 PRESSAVG: 1198800 -16.7617 27.9544 -4.63973 27.9544 21.2926 24.4981 -4.63981 24.4981 -17.7034 GPRESSAVG: 1198800 -16.2591 27.6837 -2.41186 29.0499 21.57 23.8883 -6.55163 26.976 -18.3697 TIMING: 1198800 CPU: 3481.75, 0.00291645/step Wall: 3481.75, 0.00291645/step, 3.07944 hours remaining, 204.953125 MB of memory in use. ENERGY: 1198800 733.2822 2105.9270 1984.9640 117.5568 -206393.9379 17711.1243 0.0000 0.0000 34160.4896 -149580.5939 298.3321 -183741.0836 -149483.2821 298.6087 -143.3373 -108.1359 557588.1727 -4.3908 -4.3530 PRESSURE: 1199000 -172.052 42.2222 -24.3439 42.2228 -30.361 -190.162 -24.344 -190.159 -158.936 GPRESSURE: 1199000 -150.43 31.2383 11.3184 68.3761 27.1063 -138.442 -106.329 -145.593 -147.526 PRESSAVG: 1199000 -76.6977 55.5734 -5.14144 55.5734 13.8134 -2.75681 -5.14148 -2.75689 89.7209 GPRESSAVG: 1199000 -75.9524 54.7558 -7.66869 56.1013 13.5414 -3.10319 -3.65663 -2.6175 89.978 TIMING: 1199000 CPU: 3482.33, 0.00290042/step Wall: 3482.33, 0.00290042/step, 3.06236 hours remaining, 204.953125 MB of memory in use. ENERGY: 1199000 766.8579 2087.6832 1992.6916 108.2222 -206255.1759 17649.7536 0.0000 0.0000 33983.5767 -149666.3906 296.7870 -183649.9674 -149569.9237 297.8571 -120.4496 -90.2832 557363.1039 8.9456 9.1890 PRESSURE: 1199200 7.55237 41.2448 14.059 41.2451 8.32954 100.808 14.06 100.809 201.402 GPRESSURE: 1199200 41.5137 -36.8016 101.062 155.237 48.8374 110.169 14.9477 89.847 231.647 PRESSAVG: 1199200 -30.6173 2.04307 16.6515 2.04305 -14.3798 35.1506 16.6515 35.1505 20.5696 GPRESSAVG: 1199200 -31.5477 4.21732 18.3987 2.2931 -13.7855 35.7397 18.0619 33.3968 21.4206 TIMING: 1199200 CPU: 3482.91, 0.00286873/step Wall: 3482.91, 0.00286873/step, 3.02874 hours remaining, 204.953125 MB of memory in use. ENERGY: 1199200 745.1711 2125.0500 1984.7497 115.7619 -206176.2146 17813.6538 0.0000 0.0000 33910.1049 -149481.7231 296.1454 -183391.8280 -149390.7629 298.2620 72.4279 107.3328 556059.2949 -8.1425 -7.9708 PRESSURE: 1199400 129.479 -89.6812 -42.0862 -89.6805 86.2774 -111.684 -42.0886 -111.685 59.3741 GPRESSURE: 1199400 144.847 -75.9607 -51.7016 -147.996 109.916 -62.6121 -14.7124 -123.807 127.984 PRESSAVG: 1199400 11.6127 -11.4052 11.2204 -11.4052 35.0937 -22.9609 11.2203 -22.9608 4.24236 GPRESSAVG: 1199400 11.5638 -12.0576 11.3239 -11.6467 35.5768 -23.985 9.77634 -21.8096 3.72899 TIMING: 1199400 CPU: 3483.48, 0.0028823/step Wall: 3483.48, 0.0028823/step, 3.04291 hours remaining, 204.953125 MB of memory in use. ENERGY: 1199400 743.0142 2118.6578 1979.8465 108.0639 -206404.5872 17915.7822 0.0000 0.0000 34190.6553 -149348.5673 298.5955 -183539.2226 -149252.8264 297.6922 91.7103 127.5824 556690.2374 16.9829 16.9565 PRESSURE: 1199600 -215.457 -35.932 -12.3194 -35.9322 -53.2605 -6.61945 -12.3202 -6.62046 104.831 GPRESSURE: 1199600 -106.437 -51.772 30.6963 -41.1033 -56.2007 31.6688 -44.5867 -20.4733 94.7996 PRESSAVG: 1199600 14.1154 -52.0739 -29.9378 -52.0739 13.9431 -9.27773 -29.9378 -9.27778 1.37208 GPRESSAVG: 1199600 14.7376 -52.7897 -28.6917 -52.2594 13.8318 -7.78285 -29.6443 -10.9625 0.537636 TIMING: 1199600 CPU: 3484.06, 0.002889/step Wall: 3484.06, 0.002889/step, 3.04982 hours remaining, 204.953125 MB of memory in use. ENERGY: 1199600 727.9174 2132.3847 1983.2325 118.2024 -206151.8889 17679.5615 0.0000 0.0000 34213.4008 -149297.1895 298.7941 -183510.5903 -149199.6750 298.2399 -54.6289 -22.6128 556698.9872 9.8102 9.7023 PRESSURE: 1199800 -81.3785 -7.54182 -17.8798 -7.54171 -111.262 -122.473 -17.8795 -122.473 -165.708 GPRESSURE: 1199800 -70.8219 4.73335 27.4243 -33.4327 -31.0165 -222.328 -116.398 -15.0428 -159.447 PRESSAVG: 1199800 -3.63319 5.75674 2.44013 5.75676 -12.7182 -49.0562 2.44019 -49.0562 23.5077 GPRESSAVG: 1199800 -3.43886 6.34387 0.933883 5.21558 -13.6356 -48.2074 2.89976 -47.5453 23.9316 TIMING: 1199800 CPU: 3484.64, 0.00288338/step Wall: 3484.64, 0.00288338/step, 3.04373 hours remaining, 204.953125 MB of memory in use. ENERGY: 1199800 752.5466 2093.9873 1956.7135 115.6610 -205822.2882 17567.3016 0.0000 0.0000 33918.3649 -149417.7134 296.2175 -183336.0782 -149327.6048 297.7873 -119.4494 -87.0951 557439.1820 2.3854 2.2857 PRESSURE: 1200000 156.032 66.1748 110.653 66.1744 -5.65591 -117.623 110.653 -117.623 -72.7414 GPRESSURE: 1200000 203.061 22.5129 137.073 32.109 -14.2765 -126.946 131.167 -121.498 -4.09117 PRESSAVG: 1200000 53.6127 78.3397 -32.1991 78.3397 46.7995 -2.16143 -32.1991 -2.16132 -99.9835 GPRESSAVG: 1200000 53.1151 76.455 -29.5065 78.3834 47.2094 -4.18214 -34.7279 -2.60343 -99.5308 TIMING: 1200000 CPU: 3485.21, 0.00288423/step Wall: 3485.21, 0.00288423/step, 3.04446 hours remaining, 204.953125 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: 1200000 736.6750 2107.4526 1967.5035 105.5276 -206434.8753 18036.9894 0.0000 0.0000 34133.3388 -149347.3883 298.0949 -183480.7271 -149254.8175 298.6899 25.8781 61.5644 557824.9175 0.1429 0.2646 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.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 203.813 25.1531 -38.0391 25.1537 -16.8227 -93.0908 -38.0389 -93.0903 -224.644 GPRESSURE: 1200200 205.998 -62.5838 -34.0785 72.4389 -12.1934 -96.5938 -27.7369 -64.5833 -125.885 PRESSAVG: 1200200 50.5415 26.2948 8.06139 26.2948 -17.017 -44.2342 8.0613 -44.2343 -65.242 GPRESSAVG: 1200200 50.602 26.6988 6.90976 26.1707 -16.9337 -44.7249 9.711 -43.0045 -65.0856 TIMING: 1200200 CPU: 3485.91, 0.0034594/step Wall: 3485.91, 0.0034594/step, 3.6514 hours remaining, 204.953125 MB of memory in use. ENERGY: 1200200 754.5027 2029.4466 1981.9239 98.1299 -206585.5507 17961.7222 0.0000 0.0000 34504.9225 -149254.9030 301.3401 -183759.8255 -149148.7878 298.6421 -12.5511 22.6398 558518.1397 -10.5725 -10.4724 LDB: ============= START OF LOAD BALANCING ============== 3489.37 LDB: ============== END OF LOAD BALANCING =============== 3489.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3489.37 LDB: ============= START OF LOAD BALANCING ============== 3489.66 LDB: Largest compute 4820 load 0.027857 is 23.7% of average load 0.117570 LDB: Average compute 0.001734 is 1.5% of average load 0.117570 LDB: TIME 3489.67 LOAD: AVG 0.11757 MAX 0.17541 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205 MB LDB: TIME 3489.67 LOAD: AVG 0.11757 MAX 0.17541 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: TIME 3489.67 LOAD: AVG 0.11757 MAX 0.17541 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: ============== END OF LOAD BALANCING =============== 3489.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3489.67 PRESSURE: 1200400 85.3667 15.6493 -50.678 15.6504 -184.359 -7.61653 -50.6794 -7.61695 -170.185 GPRESSURE: 1200400 75.257 21.4306 -75.4116 1.02636 -94.8198 1.54896 -133.864 75.3382 -162.819 PRESSAVG: 1200400 55.6678 5.57297 -48.9488 5.57293 39.5056 -34.4839 -48.9488 -34.4838 -61.9308 GPRESSAVG: 1200400 55.4124 7.62168 -48.5691 4.46385 39.6506 -35.0936 -48.6778 -35.6368 -62.0778 TIMING: 1200400 CPU: 3486.5, 0.00295361/step Wall: 3486.5, 0.00295361/step, 3.11737 hours remaining, 204.226562 MB of memory in use. ENERGY: 1200400 742.2213 2052.6713 1988.2807 127.2735 -206332.4165 17873.8582 0.0000 0.0000 34241.6969 -149306.4147 299.0413 -183548.1115 -149209.5850 298.8460 -89.7257 -60.7939 561594.2106 11.0809 10.9951 PRESSURE: 1200600 -104.715 29.7264 137.508 29.7277 -16.0341 34.3142 137.509 34.3164 -83.0206 GPRESSURE: 1200600 -74.4699 25.4407 5.03012 75.5129 28.7695 77.5662 100.711 59.5088 -57.7483 PRESSAVG: 1200600 36.7443 -60.1736 -0.407252 -60.1737 -2.24275 47.9712 -0.407284 47.9711 -35.085 GPRESSAVG: 1200600 37.2258 -60.2255 -0.848753 -59.9829 -2.76408 48.0307 0.276903 50.2346 -35.104 TIMING: 1200600 CPU: 3487.08, 0.00290606/step Wall: 3487.08, 0.00290606/step, 3.06702 hours remaining, 204.429688 MB of memory in use. ENERGY: 1200600 746.4288 2093.4070 1985.3448 110.2253 -206587.6125 17873.4111 0.0000 0.0000 34421.7198 -149357.0756 300.6134 -183778.7954 -149258.5867 299.3920 -67.9233 -34.4829 559235.4541 -0.1945 -0.2141 PRESSURE: 1200800 -295.063 -4.08401 51.6615 -4.08332 73.696 -50.9839 51.6629 -50.9837 -204.977 GPRESSURE: 1200800 -336.471 25.3148 34.3863 74.2558 123.676 -13.409 39.5474 -69.1909 -128.958 PRESSAVG: 1200800 -27.9071 -23.2353 15.7045 -23.2352 47.9252 39.7778 15.7045 39.7777 -29.7586 GPRESSAVG: 1200800 -28.9078 -24.3156 15.9106 -21.2468 48.9045 40.0472 17.4009 37.6972 -29.5506 TIMING: 1200800 CPU: 3487.66, 0.00290474/step Wall: 3487.66, 0.00290474/step, 3.06547 hours remaining, 204.429688 MB of memory in use. ENERGY: 1200800 681.1232 2095.1075 1994.1018 117.9588 -205892.9794 17602.7493 0.0000 0.0000 34065.2689 -149336.6698 297.5005 -183401.9388 -149239.4890 299.6568 -142.1146 -113.9178 558977.1306 -3.2468 -3.1846 PRESSURE: 1201000 -63.2656 88.1582 -133.47 88.1582 -19.2103 35.1262 -133.469 35.1255 18.2551 GPRESSURE: 1201000 34.519 58.1279 -233.09 123.237 -55.5678 45.7261 -179.382 -22.2538 58.1054 PRESSAVG: 1201000 26.8238 40.0869 -24.5495 40.087 -58.1455 33.3784 -24.5494 33.3783 51.6793 GPRESSAVG: 1201000 27.0778 41.6802 -26.1016 38.1263 -57.4674 33.4064 -26.7564 34.6568 51.0698 TIMING: 1201000 CPU: 3488.24, 0.00291598/step Wall: 3488.24, 0.00291598/step, 3.07717 hours remaining, 204.429688 MB of memory in use. ENERGY: 1201000 769.7152 2084.7370 1954.8523 100.4997 -206234.9328 17704.1776 0.0000 0.0000 34338.9942 -149281.9569 299.8910 -183620.9511 -149183.6819 299.4360 -21.4069 12.3522 558482.9513 6.7859 6.8934 PRESSURE: 1201200 92.4078 65.915 81.9945 65.915 -13.2482 -42.2288 81.9961 -42.2282 98.1404 GPRESSURE: 1201200 124.127 30.6433 115.898 -21.8176 91.9887 -91.8821 45.9027 -20.9004 57.0816 PRESSAVG: 1201200 -66.5245 21.4115 -27.5984 21.4114 24.6431 22.2569 -27.5983 22.2569 7.15726 GPRESSAVG: 1201200 -66.8356 20.7299 -27.1062 22.2489 24.8126 22.8549 -26.954 23.2864 7.22344 TIMING: 1201200 CPU: 3488.82, 0.00290136/step Wall: 3488.82, 0.00290136/step, 3.06158 hours remaining, 204.429688 MB of memory in use. ENERGY: 1201200 743.4361 2079.3115 1960.0092 100.9147 -206388.8340 17945.9697 0.0000 0.0000 34331.5313 -149227.6615 299.8258 -183559.1928 -149128.7320 299.5839 59.1000 91.0658 557241.1891 -11.5747 -11.5998 PRESSURE: 1201400 -192.722 73.2735 -152.712 73.2745 -38.7343 11.2113 -152.714 11.2096 -57.4642 GPRESSURE: 1201400 -149.248 56.9107 -228.674 36.0053 -31.1977 -34.1733 -140.196 74.6064 -12.2568 PRESSAVG: 1201400 -23.0049 11.91 -2.10852 11.9101 24.2438 -11.6114 -2.10843 -11.6113 -7.21421 GPRESSAVG: 1201400 -21.7307 8.47877 -2.60942 12.8743 23.4166 -11.0284 -2.79759 -13.1868 -7.66913 TIMING: 1201400 CPU: 3489.4, 0.00290414/step Wall: 3489.4, 0.00290414/step, 3.06435 hours remaining, 204.515625 MB of memory in use. ENERGY: 1201400 718.3502 2089.3768 1964.9086 116.4442 -206208.7408 17643.9538 0.0000 0.0000 34454.5407 -149221.1665 300.9001 -183675.7073 -149117.6810 299.1806 -96.3070 -64.2342 557105.4719 -1.9918 -1.9944 PRESSURE: 1201600 365.812 169.731 -89.0976 169.731 -159.425 143.094 -89.0954 143.093 -7.19823 GPRESSURE: 1201600 382.188 192.909 15.5306 107.171 -100.829 106.721 -60.6615 146.637 9.43942 PRESSAVG: 1201600 7.96067 -19.4531 22.8169 -19.4531 -13.8602 40.6235 22.817 40.6234 6.29354 GPRESSAVG: 1201600 8.77514 -16.077 22.6482 -21.2606 -13.6293 40.9271 22.8904 39.1617 5.32364 TIMING: 1201600 CPU: 3489.99, 0.00292968/step Wall: 3489.99, 0.00292968/step, 3.09114 hours remaining, 204.554688 MB of memory in use. ENERGY: 1201600 704.7398 2049.8131 1943.8579 110.8063 -206326.2678 17932.7994 0.0000 0.0000 34122.6456 -149461.6057 298.0016 -183584.2513 -149363.9183 298.9645 66.3961 96.9330 557092.9554 0.1313 0.1565 PRESSURE: 1201800 -97.8275 2.67127 -140.276 2.67223 -75.2468 -13.7158 -140.276 -13.7157 -214.578 GPRESSURE: 1201800 -49.6458 69.1849 -85.7027 33.6199 -96.7605 -85.916 -178.872 109.188 -143.474 PRESSAVG: 1201800 71.6094 22.277 -4.04962 22.2769 -32.684 -16.0629 -4.0496 -16.0628 -26.0832 GPRESSAVG: 1201800 72.305 23.7777 -2.43027 21.0319 -33.4025 -16.2848 -4.07102 -16.0031 -26.0789 TIMING: 1201800 CPU: 3490.57, 0.0029021/step Wall: 3490.57, 0.0029021/step, 3.06187 hours remaining, 204.554688 MB of memory in use. ENERGY: 1201800 768.0176 2065.1096 1983.6526 113.1386 -206332.3166 17788.3670 0.0000 0.0000 34191.4440 -149422.5871 298.6024 -183614.0312 -149328.2599 298.2712 -129.2175 -96.6268 558712.6216 4.2807 4.2746 PRESSURE: 1202000 -79.6878 69.2286 46.9252 69.2283 -541.978 133.605 46.925 133.606 -417.262 GPRESSURE: 1202000 -81.6612 110.779 19.9823 51.5366 -505.986 114.35 45.1821 116.749 -353.922 PRESSAVG: 1202000 95.3381 25.2484 -5.91158 25.2484 -59.2034 -21.3542 -5.91171 -21.3542 -37.181 GPRESSAVG: 1202000 94.8129 23.7622 -6.94497 26.4914 -59.6165 -21.5073 -6.85107 -19.4696 -36.3783 TIMING: 1202000 CPU: 3491.15, 0.00289763/step Wall: 3491.15, 0.00289763/step, 3.057 hours remaining, 204.554688 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: 1202000 793.3488 2048.4769 1964.6051 100.2856 -205881.8389 17534.3769 0.0000 0.0000 34153.6396 -149287.1059 298.2722 -183440.7456 -149183.7773 298.7445 -346.3091 -313.8564 559848.7802 -0.3488 -0.3939 PRESSURE: 1202200 -100.615 -15.4607 -18.199 -15.4617 -148.391 -96.9195 -18.1988 -96.9212 -185.155 GPRESSURE: 1202200 -56.2923 -103.205 5.17537 73.8087 -122.423 -95.0172 -23.9211 -16.933 -166.084 PRESSAVG: 1202200 89.3468 51.2033 -3.02295 51.2033 -108.924 -36.4864 -3.02298 -36.4866 21.5591 GPRESSAVG: 1202200 90.0766 49.8612 -3.72721 52.3005 -109.457 -37.4012 -1.51869 -35.593 21.7578 TIMING: 1202200 CPU: 3491.73, 0.00290805/step Wall: 3491.73, 0.00290805/step, 3.06783 hours remaining, 204.554688 MB of memory in use. ENERGY: 1202200 738.7986 2059.2062 1955.8187 101.6479 -206055.3379 17654.2269 0.0000 0.0000 34486.3086 -149059.3310 301.1775 -183545.6396 -148957.2937 299.1249 -144.7204 -114.9330 560572.2186 0.6608 0.7924 PRESSURE: 1202400 122.816 -57.8739 -110.91 -57.874 -14.8146 -207.875 -110.91 -207.876 -80.5338 GPRESSURE: 1202400 133.533 -17.779 -112.186 -126.134 20.0694 -116.214 -140.921 -214.186 -31.3835 PRESSAVG: 1202400 -26.0085 27.1614 -39.8567 27.1615 18.1448 -19.5451 -39.8568 -19.5451 -37.572 GPRESSAVG: 1202400 -27.3518 27.2834 -40.6933 26.1119 19.4851 -20.2807 -41.6661 -19.8814 -37.8132 TIMING: 1202400 CPU: 3492.31, 0.00290033/step Wall: 3492.31, 0.00290033/step, 3.05952 hours remaining, 204.757812 MB of memory in use. ENERGY: 1202400 729.2828 2069.5365 1954.7911 114.2071 -205980.0269 17751.2827 0.0000 0.0000 34222.1353 -149138.7916 298.8704 -183360.9268 -149039.6546 299.4349 9.1559 40.7396 557429.9236 -15.1452 -15.2267 PRESSURE: 1202600 18.8687 -120.953 -84.8385 -120.953 129.093 146.698 -84.8387 146.699 286.344 GPRESSURE: 1202600 28.1799 -123.41 -98.9161 -84.742 185.306 174.339 -10.6949 96.3304 328.468 PRESSAVG: 1202600 -11.6964 -20.3469 -34.3923 -20.3469 -44.8875 -45.9075 -34.3923 -45.9074 68.9983 GPRESSAVG: 1202600 -11.5736 -21.3153 -31.2737 -18.6247 -45.6363 -46.2008 -34.4511 -45.9015 69.3931 TIMING: 1202600 CPU: 3492.89, 0.00289983/step Wall: 3492.89, 0.00289983/step, 3.05883 hours remaining, 204.757812 MB of memory in use. ENERGY: 1202600 712.0940 2092.5444 1980.2315 107.5549 -206600.5666 18138.5143 0.0000 0.0000 34283.2391 -149286.3884 299.4041 -183569.6275 -149190.3864 299.2757 144.7685 180.6513 558419.5026 4.1381 4.0610 PRESSURE: 1202800 133.928 -150.678 32.2622 -150.677 -87.4212 -49.461 32.2623 -49.4601 98.9667 GPRESSURE: 1202800 190.636 -92.2015 185.908 -96.2315 -87.4454 -59.245 -24.8713 94.2684 138.455 PRESSAVG: 1202800 -56.4417 14.7668 7.75645 14.7667 19.2864 -17.2516 7.75636 -17.2516 38.5099 GPRESSAVG: 1202800 -55.6785 16.5114 7.90005 13.3039 19.8119 -15.958 7.07778 -17.5323 37 TIMING: 1202800 CPU: 3493.47, 0.00290449/step Wall: 3493.47, 0.00290449/step, 3.06359 hours remaining, 204.757812 MB of memory in use. ENERGY: 1202800 756.5285 2072.5839 1970.6719 105.7102 -206313.3590 17997.3638 0.0000 0.0000 34106.1950 -149304.3058 297.8579 -183410.5007 -149211.6143 299.0479 48.4913 80.5486 557542.2606 0.4515 0.3778 PRESSURE: 1203000 29.6583 49.0736 13.9922 49.0736 149.6 -36.2859 13.9929 -36.2848 91.0107 GPRESSURE: 1203000 87.6298 53.2926 23.1672 38.1919 242.438 -107.811 -28.6602 17.3475 43.8766 PRESSAVG: 1203000 6.43634 18.6441 33.524 18.6441 -17.8212 -59.5609 33.5239 -59.561 33.3363 GPRESSAVG: 1203000 6.48662 18.0939 31.6508 21.1286 -17.4585 -61.8938 35.5244 -58.3083 32.45 TIMING: 1203000 CPU: 3494.06, 0.00292573/step Wall: 3494.06, 0.00292573/step, 3.08583 hours remaining, 204.757812 MB of memory in use. ENERGY: 1203000 742.4437 2027.5998 1964.5596 121.0000 -206133.1523 18008.8286 0.0000 0.0000 33944.7355 -149323.9850 296.4478 -183268.7205 -149225.9080 298.4447 90.0896 124.6480 556936.8840 7.3171 7.1594 PRESSURE: 1203200 -64.9557 -18.8828 149.511 -18.8826 -92.9796 -17.1986 149.51 -17.2005 -232.297 GPRESSURE: 1203200 -46.4352 -4.46215 103.842 -8.31671 -55.4074 -148.043 154.314 59.062 -186.866 PRESSAVG: 1203200 3.62138 75.1585 33.0676 75.1585 59.8886 48.9755 33.0675 48.9754 -0.493859 GPRESSAVG: 1203200 3.08423 76.2653 34.4765 71.5996 58.8838 51.2904 31.6194 47.2794 1.18139 TIMING: 1203200 CPU: 3494.64, 0.00292352/step Wall: 3494.64, 0.00292352/step, 3.08334 hours remaining, 204.757812 MB of memory in use. ENERGY: 1203200 767.9847 1966.0987 1964.3122 120.7239 -206224.6773 17636.8348 0.0000 0.0000 34330.1806 -149438.5425 299.8140 -183768.7231 -149339.1927 298.3302 -130.0775 -96.2363 557449.3509 21.0054 21.0498 PRESSURE: 1203400 -1.89096 91.3646 79.748 91.3647 -241.616 48.0996 79.7488 48.0989 -183.087 GPRESSURE: 1203400 60.3751 53.5729 106.157 44.2235 -149.296 47.6649 55.0708 -24.6085 -234.345 PRESSAVG: 1203400 29.814 33.4831 60.2317 33.4832 33.683 6.70122 60.2316 6.70128 -39.4476 GPRESSAVG: 1203400 29.5962 32.4602 59.2601 33.8122 34.4688 6.18198 61.1193 7.57894 -40.2866 TIMING: 1203400 CPU: 3495.22, 0.0029126/step Wall: 3495.22, 0.0029126/step, 3.07166 hours remaining, 204.757812 MB of memory in use. ENERGY: 1203400 733.1455 2046.2117 1953.4718 121.1004 -205834.2996 17507.3190 0.0000 0.0000 34312.2268 -149160.8243 299.6572 -183473.0511 -149071.5280 299.3534 -142.1982 -107.7554 556451.9031 8.0165 7.9262 PRESSURE: 1203600 188.354 -109.478 83.7014 -109.478 -188.03 84.4886 83.7004 84.4883 331.057 GPRESSURE: 1203600 204.264 -70.6189 103.567 -61.9216 -144.536 56.0757 77.7736 154.839 369.653 PRESSAVG: 1203600 -46.3764 20.8529 18.2386 20.8528 14.8634 72.8439 18.2385 72.8439 14.7125 GPRESSAVG: 1203600 -46.1309 21.4552 18.3724 21.4953 13.5226 71.2505 19.4656 73.5808 15.317 TIMING: 1203600 CPU: 3495.8, 0.00289061/step Wall: 3495.8, 0.00289061/step, 3.0483 hours remaining, 204.757812 MB of memory in use. ENERGY: 1203600 700.4591 2086.7224 2021.9836 116.8332 -206342.3621 17820.8486 0.0000 0.0000 34528.9207 -149066.5946 301.5497 -183595.5153 -148974.8143 300.0713 110.4602 143.1272 555875.5661 -5.6002 -5.7638 PRESSURE: 1203800 38.6737 72.9793 -99.3343 72.9787 131.132 -101.946 -99.3352 -101.948 -28.6527 GPRESSURE: 1203800 80.9867 99.8671 -117.719 63.4587 115.273 -87.6947 -56.5162 -178.157 38.4853 PRESSAVG: 1203800 -6.54883 16.2067 -10.7808 16.2067 6.42359 -12.8438 -10.7808 -12.8438 18.7695 GPRESSAVG: 1203800 -6.58845 17.2157 -12.3754 13.9336 6.76327 -10.5028 -10.4939 -13.8872 18.852 TIMING: 1203800 CPU: 3496.38, 0.00290058/step Wall: 3496.38, 0.00290058/step, 3.05867 hours remaining, 204.757812 MB of memory in use. ENERGY: 1203800 729.1237 2058.3920 1978.0150 121.2142 -206337.8699 17904.3684 0.0000 0.0000 34233.7822 -149312.9743 298.9721 -183546.7566 -149215.3826 299.1203 47.0510 78.2483 556897.8178 6.2147 6.3423 PRESSURE: 1204000 30.859 74.3798 73.9108 74.3806 -31.2551 20.1224 73.9105 20.1233 -106.081 GPRESSURE: 1204000 99.5158 33.0099 101.989 164.954 -33.4971 31.6233 80.8835 37.0502 -76.1943 PRESSAVG: 1204000 -19.6241 31.1851 16.2441 31.1852 62.4158 9.58555 16.2442 9.58551 -21.7239 GPRESSAVG: 1204000 -19.5413 29.2628 17.6167 33.3829 62.6051 8.34895 14.4151 9.34093 -21.7295 TIMING: 1204000 CPU: 3496.96, 0.00289695/step Wall: 3496.96, 0.00289695/step, 3.05467 hours remaining, 204.757812 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: 1204000 729.5205 2060.8958 1978.0369 115.8860 -206122.4140 17697.2718 0.0000 0.0000 34360.7808 -149180.0222 300.0812 -183540.8030 -149082.4755 298.8367 -35.4922 -3.3919 557017.8762 7.0226 7.1115 PRESSURE: 1204200 -0.548446 -12.784 77.652 -12.7847 -95.8298 130.725 77.6514 130.726 -180.492 GPRESSURE: 1204200 60.6197 -12.0425 -11.5094 -9.55968 -84.1392 121.126 145.631 111.84 -173.343 PRESSAVG: 1204200 1.32044 27.7106 34.1895 27.7107 -48.5619 -47.8197 34.1894 -47.8196 53.4942 GPRESSAVG: 1204200 1.81948 27.4176 32.3053 28.9277 -47.9191 -47.8701 34.9595 -49.2719 53.0018 TIMING: 1204200 CPU: 3497.54, 0.0028844/step Wall: 3497.54, 0.0028844/step, 3.04128 hours remaining, 204.757812 MB of memory in use. ENERGY: 1204200 727.2917 2071.8651 1956.0007 117.0249 -205652.6409 17564.1762 0.0000 0.0000 34044.4659 -149171.8163 297.3188 -183216.2822 -149090.2217 299.0440 -92.2902 -65.6209 559182.7036 2.0843 2.3008 LDB: ============= START OF LOAD BALANCING ============== 3501 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3501 LDB: =============== DONE WITH MIGRATION ================ 3501 LDB: ============= START OF LOAD BALANCING ============== 3501.29 LDB: Largest compute 4820 load 0.028605 is 24.3% of average load 0.117616 LDB: Average compute 0.001731 is 1.5% of average load 0.117616 LDB: TIME 3501.29 LOAD: AVG 0.117616 MAX 0.178857 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.715 MB LDB: TIME 3501.29 LOAD: AVG 0.117616 MAX 0.178857 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.773 MB LDB: TIME 3501.29 LOAD: AVG 0.117616 MAX 0.178857 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3501.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3501.3 PRESSURE: 1204400 92.9448 113.374 124.821 113.372 -42.0257 39.1586 124.821 39.1583 266.584 GPRESSURE: 1204400 119.661 53.1694 68.0867 188.88 -5.27148 12.2816 36.1151 31.697 285.313 PRESSAVG: 1204400 -3.7272 38.3734 38.2671 38.3733 -22.3739 19.8467 38.2671 19.8468 16.7347 GPRESSAVG: 1204400 -3.44892 39.6517 42.1277 36.6553 -23.3139 21.4004 37.5129 22.7287 16.604 TIMING: 1204400 CPU: 3498.13, 0.00293495/step Wall: 3498.13, 0.00293495/step, 3.09441 hours remaining, 203.210938 MB of memory in use. ENERGY: 1204400 771.5524 2060.9830 1991.1249 116.1690 -206378.3477 17896.3155 0.0000 0.0000 34263.0741 -149279.1288 299.2279 -183542.2029 -149177.8105 299.1214 105.8344 133.2341 556939.7499 -3.1221 -3.3863 PRESSURE: 1204600 -25.2552 18.0936 110.726 18.0939 312.704 -163.818 110.726 -163.82 1.55851 GPRESSURE: 1204600 14.1985 34.1855 152.327 -7.00881 322.645 -103.23 84.3141 -146.739 48.9341 PRESSAVG: 1204600 46.0028 55.0573 -17.0181 55.0572 -9.94071 -46.3702 -17.0181 -46.3702 -31.4547 GPRESSAVG: 1204600 44.7734 53.0876 -19.226 55.9825 -9.5507 -46.7095 -16.6159 -47.6711 -30.3251 TIMING: 1204600 CPU: 3498.7, 0.00288359/step Wall: 3498.7, 0.00288359/step, 3.0401 hours remaining, 203.210938 MB of memory in use. ENERGY: 1204600 719.0494 2039.0750 1958.5878 112.1717 -206464.4303 17917.1364 0.0000 0.0000 34388.9796 -149329.4304 300.3275 -183718.4100 -149237.9264 298.7720 96.3359 128.5925 555706.2985 1.5358 1.6326 PRESSURE: 1204800 385.778 -31.1552 -9.2718 -31.1562 -29.1662 34.4582 -9.27126 34.4589 -127.981 GPRESSURE: 1204800 349.234 101.46 -15.3062 -40.5336 88.4876 56.6227 -56.4096 -6.9775 -103.305 PRESSAVG: 1204800 -5.97793 2.78735 33.7248 2.78736 49.6454 -16.5784 33.7248 -16.5784 -2.86821 GPRESSAVG: 1204800 -6.43268 8.06682 33.3239 1.5007 50.4519 -15.6915 34.6358 -16.8791 -3.32344 TIMING: 1204800 CPU: 3499.28, 0.00289244/step Wall: 3499.28, 0.00289244/step, 3.04927 hours remaining, 203.210938 MB of memory in use. ENERGY: 1204800 763.0898 2078.6411 2008.5088 120.8801 -206214.4598 18038.7025 0.0000 0.0000 34262.7309 -148941.9066 299.2250 -183204.6375 -148848.5916 299.1839 76.2100 111.4723 556433.2459 13.5998 13.5653 PRESSURE: 1205000 223.972 93.3069 -58.9505 93.3057 -77.5503 76.6244 -58.9528 76.6251 -51.0195 GPRESSURE: 1205000 201.913 94.3708 32.1804 113.357 -21.8847 82.3277 -108.1 47.1304 15.3685 PRESSAVG: 1205000 50.8821 35.0943 52.0913 35.0943 -3.83878 -0.423432 52.0913 -0.423373 -27.6704 GPRESSAVG: 1205000 50.9449 33.1175 53.5387 35.1263 -3.42451 -0.717637 50.3559 -0.292162 -27.8913 TIMING: 1205000 CPU: 3499.86, 0.00289577/step Wall: 3499.86, 0.00289577/step, 3.05263 hours remaining, 203.210938 MB of memory in use. ENERGY: 1205000 692.0682 2142.6926 1985.3043 114.8140 -205842.0247 17646.7560 0.0000 0.0000 34455.7801 -148804.6093 300.9109 -183260.3895 -148700.2937 300.8300 31.8006 65.1323 556641.9690 6.4577 6.5430 PRESSURE: 1205200 23.3171 165.5 55.0672 165.501 -138.6 -142.068 55.0674 -142.067 57.7767 GPRESSURE: 1205200 12.9549 136.041 72.3248 154.648 -141.291 -192.153 91.3588 -152.159 164.919 PRESSAVG: 1205200 53.6447 56.2085 5.84162 56.2084 -32.1025 -22.6184 5.84163 -22.6185 19.7024 GPRESSAVG: 1205200 53.3368 53.9236 6.68586 58.0334 -31.9867 -24.6404 6.6875 -22.4195 19.5226 TIMING: 1205200 CPU: 3500.44, 0.00290765/step Wall: 3500.44, 0.00290765/step, 3.06499 hours remaining, 203.214844 MB of memory in use. ENERGY: 1205200 763.9753 2119.7489 1972.5429 106.5911 -205922.5141 17891.1668 0.0000 0.0000 34213.3158 -148855.1734 298.7934 -183068.4892 -148756.7571 300.5909 -19.1687 12.1941 557700.4569 13.7482 13.6242 PRESSURE: 1205400 42.1485 -85.5129 99.1723 -85.5125 74.7158 66.291 99.1715 66.2901 138.456 GPRESSURE: 1205400 95.0086 -47.774 206.068 -148.604 110.585 20.3187 19.3362 -8.13583 148.285 PRESSAVG: 1205400 39.1701 24.3957 35.999 24.3956 -33.3623 -73.9033 35.999 -73.9033 36.6177 GPRESSAVG: 1205400 40.0971 25.8345 36.9594 23.0793 -34.7362 -71.0543 34.6928 -73.1891 36.9707 TIMING: 1205400 CPU: 3501.02, 0.00290195/step Wall: 3501.02, 0.00290195/step, 3.05882 hours remaining, 203.214844 MB of memory in use. ENERGY: 1205400 766.6439 2131.6656 1996.7631 111.4414 -206362.9940 18096.9446 0.0000 0.0000 34383.9440 -148875.5913 300.2835 -183259.5353 -148783.4983 299.9753 85.1069 117.9596 557411.8815 14.1418 14.1105 PRESSURE: 1205600 -34.2108 -72.5668 -26.853 -72.5657 -14.2393 213.569 -26.8526 213.569 25.1015 GPRESSURE: 1205600 -11.2855 -64.261 -54.6211 -140.882 1.26843 200.231 21.8465 254.713 88.1535 PRESSAVG: 1205600 -41.5362 -7.7933 -7.61027 -7.79329 13.6095 -24.0492 -7.6103 -24.0492 49.4003 GPRESSAVG: 1205600 -41.5353 -10.5537 -11.4511 -7.37303 13.804 -24.6341 -6.24732 -23.9485 49.2344 TIMING: 1205600 CPU: 3501.6, 0.00290284/step Wall: 3501.6, 0.00290284/step, 3.05959 hours remaining, 203.214844 MB of memory in use. ENERGY: 1205600 764.4569 2126.1399 1969.5569 119.0919 -205814.6661 17730.2463 0.0000 0.0000 34231.1226 -148874.0515 298.9489 -183105.1741 -148782.7106 300.5307 -7.7829 26.0455 559211.2943 7.1579 7.1677 PRESSURE: 1205800 36.1399 92.3656 -61.1184 92.366 -241.108 -103.402 -61.1184 -103.404 99.2666 GPRESSURE: 1205800 52.4143 87.4061 -37.0991 30.8672 -173.072 -98.5512 -49.4106 -130.346 100.582 PRESSAVG: 1205800 21.6222 11.2861 -11.5148 11.2863 -45.0649 -3.51313 -11.5148 -3.51293 16.4815 GPRESSAVG: 1205800 21.9763 11.9237 -9.63471 10.3409 -45.267 -2.6829 -10.6739 -5.11156 15.5669 TIMING: 1205800 CPU: 3502.18, 0.00289228/step Wall: 3502.18, 0.00289228/step, 3.04831 hours remaining, 203.214844 MB of memory in use. ENERGY: 1205800 742.5941 2090.6783 1978.9437 118.5436 -205868.5475 17686.2813 0.0000 0.0000 34269.6853 -148981.8212 299.2857 -183251.5065 -148884.0365 299.5719 -35.2337 -6.6920 558042.8499 -2.3204 -2.5746 PRESSURE: 1206000 -117.238 30.628 -63.3111 30.6283 -201.954 -20.2924 -63.3106 -20.2927 -256.422 GPRESSURE: 1206000 -121.688 20.5593 24.8957 41.3916 -104.783 -38.2118 -16.5838 -16.2185 -261.382 PRESSAVG: 1206000 8.60672 -12.2071 3.11434 -12.2071 -54.406 -21.24 3.11425 -21.2401 27.2513 GPRESSAVG: 1206000 7.15242 -9.0276 2.11488 -12.8645 -53.097 -22.8663 2.94775 -19.7861 27.518 TIMING: 1206000 CPU: 3502.76, 0.00288421/step Wall: 3502.76, 0.00288421/step, 3.03964 hours remaining, 203.253906 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: 1206000 736.6302 2101.4457 1964.0386 113.7591 -205376.2956 17276.5209 0.0000 0.0000 34219.7053 -148964.1959 298.8492 -183183.9012 -148868.2326 299.4932 -191.8711 -162.6175 558070.7513 -6.1827 -6.1422 PRESSURE: 1206200 201.935 -131.909 59.9789 -131.909 -37.5459 -21.4473 59.9794 -21.4462 -78.96 GPRESSURE: 1206200 238.228 -124.706 11.2316 -175.428 -28.2856 -60.2375 16.2806 69.2668 -29.7398 PRESSAVG: 1206200 26.2869 -32.2678 -57.4868 -32.2678 -65.8856 47.2537 -57.4868 47.2538 48.8512 GPRESSAVG: 1206200 26.9317 -34.1285 -58.4404 -30.2059 -66.4313 47.3497 -57.4545 48.6972 48.8334 TIMING: 1206200 CPU: 3503.34, 0.002912/step Wall: 3503.34, 0.002912/step, 3.06876 hours remaining, 203.253906 MB of memory in use. ENERGY: 1206200 765.4526 2013.4248 1971.6308 110.4805 -205766.3981 17601.9297 0.0000 0.0000 34091.0933 -149212.3865 297.7260 -183303.4798 -149114.7321 299.2369 28.4763 60.0675 556953.1898 3.0842 3.1113 PRESSURE: 1206400 -91.3978 170.125 -141.281 170.125 -294.188 -104.339 -141.281 -104.34 -21.4825 GPRESSURE: 1206400 0.496596 127.998 -228.742 139.938 -300.175 -83.3041 -112.156 -125.833 -12.5863 PRESSAVG: 1206400 30.2511 -33.8068 -54.6342 -33.8067 -5.57945 -90.5523 -54.6341 -90.5523 7.49185 GPRESSAVG: 1206400 30.4978 -33.1554 -53.8209 -34.8155 -6.0731 -88.3178 -58.431 -93.3003 8.00034 TIMING: 1206400 CPU: 3503.92, 0.00290378/step Wall: 3503.92, 0.00290378/step, 3.05994 hours remaining, 203.253906 MB of memory in use. ENERGY: 1206400 745.6878 2098.2541 1974.1167 116.4587 -206220.4750 17806.4231 0.0000 0.0000 34108.6365 -149370.8980 297.8792 -183479.5346 -149275.3575 298.6598 -135.6895 -104.0882 557535.9104 10.7212 10.8083 PRESSURE: 1206600 110.87 -2.20573 24.6028 -2.20528 39.4117 9.01086 24.6034 9.01108 17.11 GPRESSURE: 1206600 97.3013 -38.2209 42.298 -23.0358 78.0531 -18.9352 23.3783 -26.2926 91.1539 PRESSAVG: 1206600 -16.1157 -1.6054 -40.4065 -1.60536 -11.9532 4.52828 -40.4065 4.52837 91.7087 GPRESSAVG: 1206600 -16.7073 -2.801 -40.5899 -1.14918 -11.4242 1.76129 -37.7402 6.56794 91.3725 TIMING: 1206600 CPU: 3504.5, 0.00290292/step Wall: 3504.5, 0.00290292/step, 3.05887 hours remaining, 203.253906 MB of memory in use. ENERGY: 1206600 746.0428 2049.5008 1966.3520 108.1790 -206586.5102 17941.0629 0.0000 0.0000 34405.1744 -149370.1982 300.4689 -183775.3727 -149270.2314 298.7583 55.7971 88.8361 556761.1807 21.2133 21.0803 PRESSURE: 1206800 -48.954 78.9606 63.9234 78.96 16.4064 -175.86 63.9236 -175.86 15.4301 GPRESSURE: 1206800 -39.0432 37.2769 71.568 67.4569 -6.50914 -120.607 55.0695 -179.019 119.333 PRESSAVG: 1206800 -5.57923 17.9054 -15.7678 17.9054 7.63541 -8.48524 -15.7679 -8.48517 50.2498 GPRESSAVG: 1206800 -5.45882 18.5038 -15.1911 16.1558 6.96532 -7.08625 -16.3675 -8.59668 49.9617 TIMING: 1206800 CPU: 3505.08, 0.00289842/step Wall: 3505.08, 0.00289842/step, 3.05397 hours remaining, 203.253906 MB of memory in use. ENERGY: 1206800 741.4472 2072.2392 2022.9167 116.1321 -206193.3443 17725.1408 0.0000 0.0000 34129.2994 -149386.1690 298.0597 -183515.4684 -149281.9572 298.5176 -5.7059 24.5935 555929.8127 17.4353 17.1561 PRESSURE: 1207000 -11.7782 65.2854 126.017 65.2844 -9.3197 45.9586 126.017 45.9585 -162.159 GPRESSURE: 1207000 -10.5923 -0.814812 140.143 150.761 55.3043 68.8378 130.486 93.2359 -148.983 PRESSAVG: 1207000 -110.239 18.9967 -6.34611 18.9966 28.7264 -58.6847 -6.34608 -58.6847 28.738 GPRESSAVG: 1207000 -110.329 17.8878 -8.51059 20.9074 29.9863 -58.5404 -4.46374 -60.3758 27.8946 TIMING: 1207000 CPU: 3505.66, 0.00289818/step Wall: 3505.66, 0.00289818/step, 3.05356 hours remaining, 203.253906 MB of memory in use. ENERGY: 1207000 711.1242 2121.9291 1998.3730 112.2053 -206182.4489 17758.8823 0.0000 0.0000 34212.9811 -149266.9539 298.7905 -183479.9350 -149165.4994 299.0173 -61.0855 -34.7570 556609.8361 -17.5915 -17.4827 PRESSURE: 1207200 137.452 -69.6802 7.31251 -69.6795 75.9499 9.46395 7.31171 9.4648 -242.051 GPRESSURE: 1207200 115.517 -31.7427 -22.4639 -72.7246 103.382 29.213 4.77308 68.7054 -173.684 PRESSAVG: 1207200 -8.18719 -5.08164 -9.66748 -5.08159 -52.0974 -5.66901 -9.66747 -5.66893 64.6019 GPRESSAVG: 1207200 -8.35628 -1.66914 -7.22459 -6.35664 -52.1331 -6.02608 -11.7531 -2.37097 64.5075 TIMING: 1207200 CPU: 3506.24, 0.00289412/step Wall: 3506.24, 0.00289412/step, 3.04911 hours remaining, 203.253906 MB of memory in use. ENERGY: 1207200 728.6137 2061.5075 1985.9767 110.4173 -206334.9464 17916.1823 0.0000 0.0000 34279.4807 -149252.7682 299.3712 -183532.2489 -149161.9559 298.7166 -9.5499 15.0714 557815.7660 1.4391 1.3394 PRESSURE: 1207400 34.5841 24.0506 -26.9701 24.0485 39.0382 43.3473 -26.9705 43.3474 96.1362 GPRESSURE: 1207400 97.5163 -1.33715 14.526 104.943 34.7801 138.789 -45.1605 41.8808 136.645 PRESSAVG: 1207400 31.0318 -2.2151 7.86128 -2.2151 -11.7403 -8.44591 7.86129 -8.44583 -15.1207 GPRESSAVG: 1207400 30.5753 -5.56986 7.1067 -0.0768181 -11.1281 -7.19069 9.03945 -10.3814 -15.0915 TIMING: 1207400 CPU: 3506.82, 0.00290373/step Wall: 3506.82, 0.00290372/step, 3.05907 hours remaining, 203.253906 MB of memory in use. ENERGY: 1207400 756.0054 2091.0464 1968.2042 114.5758 -206280.8087 17873.8286 0.0000 0.0000 34229.9096 -149247.2387 298.9383 -183477.1483 -149155.1650 299.1532 56.5862 89.6470 556481.2581 1.3903 1.4519 PRESSURE: 1207600 -184.075 -54.7405 15.8429 -54.7393 91.2259 -14.6531 15.8432 -14.652 -65.892 GPRESSURE: 1207600 -141.627 21.4944 -11.164 -134.989 142.083 -26.3658 99.3264 8.4474 -61.4072 PRESSAVG: 1207600 4.27706 -23.7911 -2.20695 -23.791 -49.8829 -56.2098 -2.20701 -56.2098 2.13178 GPRESSAVG: 1207600 4.86845 -22.1652 -2.07068 -25.0083 -50.208 -59.8664 -1.2158 -54.2679 1.30245 TIMING: 1207600 CPU: 3507.4, 0.00290673/step Wall: 3507.4, 0.00290673/step, 3.06208 hours remaining, 203.253906 MB of memory in use. ENERGY: 1207600 751.1736 2032.4226 1982.6741 115.8558 -206093.9055 17766.3684 0.0000 0.0000 34151.0404 -149294.3705 298.2495 -183445.4109 -149187.9274 298.3531 -52.9137 -20.3171 558283.0023 -14.4913 -14.6790 PRESSURE: 1207800 123.053 31.9656 179.255 31.9639 26.2636 -2.4362 179.256 -2.43663 -259.283 GPRESSURE: 1207800 144.699 -8.47749 143.885 128.81 107.943 42.735 163.204 -50.543 -254.837 PRESSAVG: 1207800 17.683 1.2285 -8.20722 1.22853 48.6452 -27.0319 -8.20725 -27.0318 -46.256 GPRESSAVG: 1207800 17.5307 1.4984 -9.95191 1.35391 48.7304 -25.2309 -8.12138 -27.9758 -45.3852 TIMING: 1207800 CPU: 3507.98, 0.00289517/step Wall: 3507.98, 0.00289517/step, 3.04974 hours remaining, 203.253906 MB of memory in use. ENERGY: 1207800 759.3263 2089.2139 1978.6347 125.9933 -206315.1422 17960.1885 0.0000 0.0000 34219.7440 -149182.0415 298.8495 -183401.7855 -149084.8295 298.9941 -36.6556 -0.7314 558818.4498 6.6907 6.9586 PRESSURE: 1208000 -95.8656 48.1382 192.051 48.138 -164.264 -42.5924 192.052 -42.5934 -120.582 GPRESSURE: 1208000 -103.468 36.6404 95.9141 112.958 -113.788 -69.0085 173.524 -78.3637 -76.5384 PRESSAVG: 1208000 73.5172 10.6447 34.8937 10.6446 -4.26292 -25.0926 34.8935 -25.0926 -57.4793 GPRESSAVG: 1208000 74.5744 13.4959 35.8786 11.2978 -5.11692 -23.38 33.5459 -25.0144 -57.6812 TIMING: 1208000 CPU: 3508.56, 0.00289909/step Wall: 3508.56, 0.00289909/step, 3.05371 hours remaining, 203.253906 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: 1208000 728.7598 2107.0159 1984.5249 105.3460 -205802.3386 17596.1656 0.0000 0.0000 34050.8699 -149229.6564 297.3747 -183280.5263 -149138.0809 298.6055 -126.9037 -97.9315 559958.2683 3.9250 3.9254 PRESSURE: 1208200 -71.982 -34.9937 159.469 -34.9933 -68.2756 122.353 159.468 122.354 16.0079 GPRESSURE: 1208200 -80.5569 35.6589 39.5837 -25.4972 -73.3035 132.344 179.012 40.5697 110.44 PRESSAVG: 1208200 3.89601 -27.7065 5.39886 -27.7065 -7.40703 -53.5457 5.39889 -53.5458 31.7096 GPRESSAVG: 1208200 3.452 -28.7524 3.14733 -28.5592 -6.4727 -55.2929 7.23005 -54 31.0724 TIMING: 1208200 CPU: 3509.14, 0.0029189/step Wall: 3509.14, 0.0029189/step, 3.07441 hours remaining, 203.253906 MB of memory in use. ENERGY: 1208200 749.6033 2173.4917 1987.4590 120.4197 -206528.7265 17949.4630 0.0000 0.0000 34110.7701 -149437.5197 297.8978 -183548.2898 -149342.8919 298.7530 -41.4166 -14.4733 558589.9495 9.3995 9.3506 LDB: ============= START OF LOAD BALANCING ============== 3512.61 LDB: ============== END OF LOAD BALANCING =============== 3512.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3512.61 LDB: ============= START OF LOAD BALANCING ============== 3512.9 LDB: Largest compute 4820 load 0.028841 is 24.5% of average load 0.117666 LDB: Average compute 0.001726 is 1.5% of average load 0.117666 LDB: TIME 3512.91 LOAD: AVG 0.117666 MAX 0.177374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.754 MB LDB: TIME 3512.91 LOAD: AVG 0.117666 MAX 0.177374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.762 MB LDB: TIME 3512.91 LOAD: AVG 0.117666 MAX 0.177374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.762 MB LDB: ============== END OF LOAD BALANCING =============== 3512.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3512.91 PRESSURE: 1208400 297.465 -187.442 -69.032 -187.442 19.4033 -25.1697 -69.03 -25.1709 -189.022 GPRESSURE: 1208400 251.194 -217.617 -123.281 -182.783 48.2042 -8.23743 -81.454 -71.5374 -81.0072 PRESSAVG: 1208400 12.5978 -0.273711 30.6887 -0.273755 8.63907 -2.85235 30.6888 -2.85241 21.6453 GPRESSAVG: 1208400 11.8347 0.0362627 32.1252 -1.24816 8.20056 -2.43444 30.2963 -2.69918 22.9465 TIMING: 1208400 CPU: 3509.74, 0.00297018/step Wall: 3509.74, 0.00297018/step, 3.12825 hours remaining, 203.984375 MB of memory in use. ENERGY: 1208400 703.4597 2104.5334 1966.7893 109.9458 -206496.1622 17953.7067 0.0000 0.0000 34206.2041 -149451.5231 298.7313 -183657.7272 -149346.7592 297.8026 42.6155 72.7970 558362.7027 14.2941 14.3273 PRESSURE: 1208600 -120.642 58.4008 15.1285 58.4007 3.9448 -133.456 15.1285 -133.458 3.54711 GPRESSURE: 1208600 -87.809 93.3819 10.0635 0.785831 57.1789 -138.766 -31.0926 -123.318 6.91718 PRESSAVG: 1208600 24.6852 6.01274 -9.32887 6.01261 5.04697 -33.4998 -9.3288 -33.4999 1.76038 GPRESSAVG: 1208600 25.5615 5.14817 -8.29411 7.04672 5.74738 -32.1243 -11.6672 -34.4308 0.394969 TIMING: 1208600 CPU: 3510.32, 0.00291852/step Wall: 3510.32, 0.00291852/step, 3.07369 hours remaining, 204.312500 MB of memory in use. ENERGY: 1208600 757.7185 2093.3724 1964.2614 111.4048 -206511.9868 17894.2946 0.0000 0.0000 34253.4489 -149437.4863 299.1439 -183690.9351 -149339.4069 298.8640 -37.7166 -7.9043 557645.5864 10.4975 10.5679 PRESSURE: 1208800 -8.14787 -67.4607 26.2937 -67.4609 -181.166 82.5822 26.2933 82.5801 -49.4733 GPRESSURE: 1208800 45.7459 -141.615 -54.3941 -113.516 -104.967 100.673 -27.6487 10.0291 -95.2155 PRESSAVG: 1208800 -33.1306 -36.5351 26.3337 -36.5351 29.116 3.17773 26.3337 3.17801 -8.93596 GPRESSAVG: 1208800 -33.1749 -36.2844 25.301 -38.0349 29.2466 1.79371 29.4796 4.16158 -8.69993 TIMING: 1208800 CPU: 3510.9, 0.00289504/step Wall: 3510.9, 0.00289504/step, 3.0488 hours remaining, 204.312500 MB of memory in use. ENERGY: 1208800 740.7022 2112.9186 1985.0601 111.4832 -206308.7906 17859.8333 0.0000 0.0000 34142.2914 -149356.5018 298.1731 -183498.7932 -149260.5577 298.8849 -79.5956 -51.4787 556976.2108 -4.3169 -4.2094 PRESSURE: 1209000 -45.0753 64.1032 78.3141 64.1026 -199.544 -26.746 78.3148 -26.7468 -90.3687 GPRESSURE: 1209000 -15.3223 38.083 12.46 94.9597 -188.729 4.49635 59.4208 -64.9556 -26.2574 PRESSAVG: 1209000 -36.3286 -2.80489 -7.46536 -2.80484 16.6599 -1.91557 -7.4654 -1.91548 -4.07105 GPRESSAVG: 1209000 -37.5333 -3.01034 -5.50253 -1.54017 16.8821 -2.7907 -11.17 -3.25234 -3.0809 TIMING: 1209000 CPU: 3511.48, 0.00289154/step Wall: 3511.48, 0.00289154/step, 3.04496 hours remaining, 204.312500 MB of memory in use. ENERGY: 1209000 736.3414 2062.4460 2006.3902 118.5645 -206241.4870 17816.0756 0.0000 0.0000 34003.6957 -149497.9736 296.9627 -183501.6692 -149396.1447 298.5373 -111.6626 -76.7696 557620.2346 -7.9133 -7.9107 PRESSURE: 1209200 114.421 -119.095 -9.392 -119.095 -124.57 -92.6458 -9.39208 -92.6454 186.482 GPRESSURE: 1209200 87.9614 -28.4904 -122.905 -102.233 -36.1302 -44.6299 59.3733 -98.8689 201.623 PRESSAVG: 1209200 -10.3162 -42.0068 -23.2529 -42.0067 21.0824 -41.1764 -23.2528 -41.1764 -9.66936 GPRESSAVG: 1209200 -9.18629 -40.1575 -26.1916 -41.9378 19.4713 -40.6015 -22.1929 -39.6225 -9.41671 TIMING: 1209200 CPU: 3512.06, 0.00290131/step Wall: 3512.06, 0.00290131/step, 3.05508 hours remaining, 204.312500 MB of memory in use. ENERGY: 1209200 736.1826 2110.5424 1976.4763 114.5175 -206489.2421 17781.8955 0.0000 0.0000 34191.5237 -149578.1041 298.6031 -183769.6278 -149482.3177 298.3736 58.7775 84.4846 556824.8335 0.3656 0.2894 PRESSURE: 1209400 -33.476 -137.806 92.8521 -137.805 -8.53505 111.762 92.853 111.762 -141.468 GPRESSURE: 1209400 19.9315 -154.423 161.319 -128.804 41.2447 182.18 89.8764 1.24664 -142.146 PRESSAVG: 1209400 29.3725 -45.9841 5.7007 -45.9842 -14.065 -39.7557 5.70073 -39.7558 6.59512 GPRESSAVG: 1209400 29.209 -45.5451 8.7598 -47.2779 -12.7219 -38.5674 5.04512 -40.8619 5.36045 TIMING: 1209400 CPU: 3512.64, 0.00288133/step Wall: 3512.64, 0.00288133/step, 3.03388 hours remaining, 204.363281 MB of memory in use. ENERGY: 1209400 774.6114 2098.0029 1988.5557 114.2047 -205856.5373 17640.8342 0.0000 0.0000 34005.5298 -149234.7986 296.9787 -183240.3284 -149132.6583 299.1576 -61.1596 -26.9901 558187.8363 7.3009 7.2825 PRESSURE: 1209600 194.849 -60.5329 -69.2714 -60.533 -118.596 62.0577 -69.2716 62.0578 13.5237 GPRESSURE: 1209600 226.386 51.1014 -48.8818 -110.519 -99.3134 62.196 -49.9622 37.8173 69.1559 PRESSAVG: 1209600 84.1655 3.23525 -19.6968 3.23522 -73.7866 21.1332 -19.6968 21.1331 0.141202 GPRESSAVG: 1209600 83.2512 2.28165 -21.3981 4.75078 -72.8724 20.8568 -17.2658 18.9142 0.303832 TIMING: 1209600 CPU: 3513.22, 0.00291297/step Wall: 3513.22, 0.00291297/step, 3.06703 hours remaining, 204.363281 MB of memory in use. ENERGY: 1209600 777.7141 2105.2439 1987.8344 103.9177 -206337.5596 17873.7538 0.0000 0.0000 34311.8810 -149177.2149 299.6542 -183489.0958 -149083.8521 299.5300 29.9253 65.4093 556243.2694 3.5067 3.5609 PRESSURE: 1209800 -1.35738 4.49163 91.3173 4.49172 -196.067 -38.0818 91.3173 -38.0836 132.868 GPRESSURE: 1209800 0.199388 -14.8674 12.6017 29.9689 -138.273 49.9494 126.466 -74.3163 156.872 PRESSAVG: 1209800 6.22096 34.0073 17.1363 34.0073 0.664531 13.0445 17.1364 13.0444 9.37264 GPRESSAVG: 1209800 6.28657 33.5852 17.6088 33.7484 -0.0991861 13.3482 15.3985 14.3521 9.21631 TIMING: 1209800 CPU: 3513.8, 0.00291437/step Wall: 3513.8, 0.00291437/step, 3.06834 hours remaining, 204.363281 MB of memory in use. ENERGY: 1209800 739.5738 2140.1763 1964.3467 124.3071 -206528.0925 17925.3697 0.0000 0.0000 34371.0207 -149263.2982 300.1707 -183634.3189 -149169.7716 299.2300 -21.5191 6.2660 557772.7589 5.4194 5.1346 PRESSURE: 1210000 17.8684 -109.148 -67.6298 -109.147 -132.086 82.1159 -67.6287 82.1148 -70.6011 GPRESSURE: 1210000 48.5288 -114.024 -35.3093 -89.9324 -123.293 -20.5948 -183.653 75.6652 -17.3247 PRESSAVG: 1210000 38.6945 -7.80068 29.9534 -7.80068 -62.5869 -28.1309 29.9534 -28.131 0.591854 GPRESSAVG: 1210000 40.5595 -10.0605 29.1876 -7.96132 -64.6653 -26.2926 30.995 -28.7778 0.655844 TIMING: 1210000 CPU: 3514.38, 0.00288374/step Wall: 3514.38, 0.00288374/step, 3.03594 hours remaining, 204.363281 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: 1210000 733.0653 2159.3472 1981.7780 109.9079 -206290.4217 17904.4620 0.0000 0.0000 34394.8751 -149006.9862 300.3790 -183401.8613 -148913.7593 299.4096 -61.6062 -30.6963 558122.0968 -7.7669 -7.8167 PRESSURE: 1210200 -133.693 62.8314 -22.1683 62.8337 101.553 120.843 -22.1693 120.843 146.043 GPRESSURE: 1210200 -91.0126 80.1645 -51.7001 64.4522 149.866 177.196 7.25549 48.612 147.789 PRESSAVG: 1210200 1.68422 40.2757 -36.9793 40.2757 -42.983 18.8681 -36.9794 18.8683 -14.5289 GPRESSAVG: 1210200 0.735097 41.8891 -36.0066 40.8885 -41.6584 17.7106 -38.1904 20.4835 -15.2767 TIMING: 1210200 CPU: 3514.96, 0.0029046/step Wall: 3514.96, 0.0029046/step, 3.05773 hours remaining, 204.363281 MB of memory in use. ENERGY: 1210200 743.2313 2103.0293 1978.5165 109.4979 -205775.3306 17733.4430 0.0000 0.0000 34078.5246 -149029.0880 297.6162 -183107.6126 -148935.2787 300.1327 37.9676 68.8807 558356.5604 -18.6092 -18.7333 PRESSURE: 1210400 60.3313 49.5592 -100.479 49.5609 -54.368 2.98852 -100.479 2.98836 66.3025 GPRESSURE: 1210400 143.959 79.342 -162.712 15.9391 -70.7928 -42.5028 -152.167 18.8667 91.0076 PRESSAVG: 1210400 58.2465 0.393594 -7.57779 0.393666 -2.41198 -2.90132 -7.57779 -2.90133 13.7881 GPRESSAVG: 1210400 58.4516 1.62192 -10.459 -1.84829 -1.35 -3.79553 -4.50962 -3.54095 12.1285 TIMING: 1210400 CPU: 3515.54, 0.00290775/step Wall: 3515.54, 0.00290775/step, 3.0609 hours remaining, 204.363281 MB of memory in use. ENERGY: 1210400 739.2608 2161.0677 1953.4933 102.1573 -206339.6454 17934.8450 0.0000 0.0000 34439.1743 -149009.6471 300.7659 -183448.8214 -148910.6701 299.9529 24.0886 54.7248 558638.7662 23.2075 23.0767 PRESSURE: 1210600 -161.185 -66.4377 98.975 -66.4379 -42.2515 66.6232 98.9744 66.6219 53.41 GPRESSURE: 1210600 -179.076 22.2564 130.69 -45.8082 5.08981 72.5114 1.95222 44.6846 114.573 PRESSAVG: 1210600 -19.1895 -26.601 -58.2029 -26.601 -9.32658 11.2704 -58.2029 11.2704 9.01568 GPRESSAVG: 1210600 -20.3295 -26.8167 -55.4695 -26.556 -9.69459 8.44493 -61.9405 11.0955 11.0339 TIMING: 1210600 CPU: 3516.12, 0.00291496/step Wall: 3516.12, 0.00291496/step, 3.06832 hours remaining, 204.363281 MB of memory in use. ENERGY: 1210600 732.1793 2126.1912 2011.1977 106.3301 -206143.5068 17804.4049 0.0000 0.0000 34257.8232 -149105.3802 299.1821 -183363.2035 -149014.4043 299.8879 -50.0087 -19.8044 558110.4264 -6.5001 -6.3301 PRESSURE: 1210800 43.4323 70.3848 21.0852 70.383 79.9662 -105.688 21.0846 -105.688 15.0192 GPRESSURE: 1210800 42.0356 7.8918 -43.5285 24.7601 124.641 -70.2375 56.8281 -105.655 63.298 PRESSAVG: 1210800 -25.5591 32.6206 18.031 32.6206 -24.3117 9.88497 18.031 9.88499 25.7487 GPRESSAVG: 1210800 -24.5188 32.6634 17.684 34.9917 -25.1323 12.51 18.9039 9.57006 25.746 TIMING: 1210800 CPU: 3516.7, 0.00290378/step Wall: 3516.7, 0.00290378/step, 3.05639 hours remaining, 204.363281 MB of memory in use. ENERGY: 1210800 774.2862 2052.2299 1992.6736 128.1379 -206114.2699 17869.3974 0.0000 0.0000 34156.4890 -149141.0558 298.2971 -183297.5448 -149045.0855 299.6219 46.1392 76.6581 558063.4683 -8.0407 -7.9683 PRESSURE: 1211000 227.109 -51.5323 -20.578 -51.5316 48.8847 108.534 -20.5782 108.533 224.577 GPRESSURE: 1211000 243.276 15.0828 -19.3801 -120.943 67.316 80.5018 8.32609 74.9747 284.475 PRESSAVG: 1211000 -2.68085 23.9299 -11.9373 23.9299 -42.8239 41.1568 -11.9372 41.1569 39.1045 GPRESSAVG: 1211000 -2.2519 26.3783 -10.1856 21.3359 -43.2165 42.1655 -12.0672 42.2336 38.3714 TIMING: 1211000 CPU: 3517.29, 0.00291672/step Wall: 3517.29, 0.00291671/step, 3.06984 hours remaining, 204.363281 MB of memory in use. ENERGY: 1211000 760.9006 2106.8911 1952.3830 102.6431 -206541.2216 18246.2119 0.0000 0.0000 34161.7143 -149210.4775 298.3427 -183372.1918 -149111.1397 299.1620 166.8570 198.3555 557996.3754 -2.1334 -2.3657 PRESSURE: 1211200 -73.6698 118.635 -31.5154 118.634 -232.376 267.246 -31.5159 267.244 132.524 GPRESSURE: 1211200 -46.6222 164.437 -38.0932 31.6698 -173.135 306.581 -6.55529 234.33 126.451 PRESSAVG: 1211200 -43.7788 -8.72411 56.5309 -8.72419 3.99053 53.9763 56.5309 53.9763 31.1797 GPRESSAVG: 1211200 -45.1266 -9.45588 55.2604 -8.102 4.79785 53.165 57.0798 53.7422 31.3291 TIMING: 1211200 CPU: 3517.87, 0.00290655/step Wall: 3517.87, 0.00290655/step, 3.05899 hours remaining, 204.363281 MB of memory in use. ENERGY: 1211200 688.0503 2056.1401 1986.2560 107.1640 -205805.0621 17653.3344 0.0000 0.0000 33935.1919 -149378.9254 296.3645 -183314.1172 -149276.4252 299.2075 -57.8405 -31.1022 558522.4861 -2.8695 -2.9999 PRESSURE: 1211400 -155.127 -15.3434 -85.0927 -15.3438 -0.113286 80.4137 -85.0922 80.4141 -81.4179 GPRESSURE: 1211400 -159.858 29.0684 -108.045 41.4542 111.221 123.386 -98.7561 105.231 -91.2329 PRESSAVG: 1211400 13.267 37.5127 -10.1792 37.5127 -20.0378 52.6601 -10.1792 52.6602 11.466 GPRESSAVG: 1211400 14.7453 36.9422 -9.1497 39.7069 -20.023 51.6039 -10.5843 53.3194 10.2231 TIMING: 1211400 CPU: 3518.45, 0.00290186/step Wall: 3518.45, 0.00290186/step, 3.05389 hours remaining, 204.363281 MB of memory in use. ENERGY: 1211400 716.7022 2142.5050 1960.2956 114.6769 -206034.4677 17648.4794 0.0000 0.0000 34037.3891 -149414.4195 297.2570 -183451.8086 -149318.3740 298.2588 -78.8860 -46.6233 558050.5990 1.5651 1.6485 PRESSURE: 1211600 163.105 51.5653 109.416 51.5645 44.2524 -27.1647 109.417 -27.1658 148.85 GPRESSURE: 1211600 238.712 -48.8789 88.3972 78.3119 86.5834 -27.416 90.0436 -20.1827 124.56 PRESSAVG: 1211600 -28.1915 47.0354 27.271 47.0354 -32.6822 -6.09646 27.271 -6.09644 60.6163 GPRESSAVG: 1211600 -28.8315 45.7251 26.6549 47.4301 -33.9953 -5.53363 27.9928 -7.4604 62.6371 TIMING: 1211600 CPU: 3519.03, 0.00291874/step Wall: 3519.03, 0.00291874/step, 3.07149 hours remaining, 204.363281 MB of memory in use. ENERGY: 1211600 725.6166 2084.4739 1930.9968 107.1175 -206757.9356 18116.5580 0.0000 0.0000 34224.6078 -149568.5649 298.8920 -183793.1727 -149476.3638 298.3443 118.7357 149.9520 557451.8276 -0.0858 -0.0633 PRESSURE: 1211800 15.5659 131.422 103.217 131.422 72.5512 -55.2223 103.217 -55.2214 44.6502 GPRESSURE: 1211800 68.5446 146.801 176.381 68.0419 111.957 -35.9424 75.4098 -51.6408 53.2747 PRESSAVG: 1211800 71.7615 34.6831 9.18376 34.683 -31.3447 66.4054 9.18385 66.4054 -12.3108 GPRESSAVG: 1211800 71.4774 34.4556 11.0891 34.3866 -30.2945 66.3923 9.56899 68.0147 -13.0451 TIMING: 1211800 CPU: 3519.61, 0.00289512/step Wall: 3519.61, 0.00289512/step, 3.04647 hours remaining, 204.363281 MB of memory in use. ENERGY: 1211800 728.2993 2061.4482 1979.7633 103.4641 -206507.3253 17930.3385 0.0000 0.0000 34212.5142 -149491.4977 298.7864 -183704.0119 -149388.8270 298.0500 44.2558 77.9253 557266.2570 9.3687 9.3793 PRESSURE: 1212000 -280.885 217.629 3.55937 217.629 -134.333 -140.259 3.56025 -140.259 -31.6482 GPRESSURE: 1212000 -277.715 163.262 49.2085 176.077 -108.101 -136.58 9.9176 -156.335 29.6091 PRESSAVG: 1212000 -17.5734 31.4418 -3.46028 31.4419 22.2045 -2.90505 -3.46029 -2.90499 -1.93682 GPRESSAVG: 1212000 -18.5918 32.2282 -4.80294 30.6934 23.2305 -0.822981 -3.05352 -3.43253 -1.82176 TIMING: 1212000 CPU: 3520.19, 0.00289801/step Wall: 3520.19, 0.00289801/step, 3.04935 hours remaining, 204.363281 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: 1212000 740.6494 2064.7113 1968.3833 129.8710 -205915.0661 17574.5543 0.0000 0.0000 34114.4968 -149322.4001 297.9304 -183436.8968 -149230.5009 298.4920 -148.9556 -118.7356 558387.3655 0.8981 0.9390 PRESSURE: 1212200 67.4528 -54.6388 11.6689 -54.6388 -273.861 -204.317 11.6685 -204.316 119.475 GPRESSURE: 1212200 129.395 -112.59 116.823 45.6626 -285.634 -177.884 -3.88224 -206.169 167.102 PRESSAVG: 1212200 -28.8421 75.8787 -15.3599 75.8786 -27.616 -19.7037 -15.3599 -19.7038 2.39372 GPRESSAVG: 1212200 -27.8862 74.4975 -16.2118 76.8663 -29.5387 -22.9982 -15.5398 -19.5986 3.09611 TIMING: 1212200 CPU: 3520.77, 0.00289553/step Wall: 3520.77, 0.00289553/step, 3.04658 hours remaining, 204.363281 MB of memory in use. ENERGY: 1212200 712.1629 2084.9754 1985.8683 109.6938 -205821.0497 17626.2532 0.0000 0.0000 34115.2970 -149186.7991 297.9374 -183302.0961 -149091.7880 298.8250 -28.9777 3.6210 558341.9256 -18.0215 -18.1096 LDB: ============= START OF LOAD BALANCING ============== 3524.24 LDB: ============== END OF LOAD BALANCING =============== 3524.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3524.24 LDB: ============= START OF LOAD BALANCING ============== 3524.53 LDB: Largest compute 4820 load 0.028247 is 24.0% of average load 0.117579 LDB: Average compute 0.001740 is 1.5% of average load 0.117579 LDB: TIME 3524.54 LOAD: AVG 0.117579 MAX 0.177331 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 3524.54 LOAD: AVG 0.117579 MAX 0.177331 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 3524.54 LOAD: AVG 0.117579 MAX 0.177331 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 3524.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3524.54 PRESSURE: 1212400 168.576 19.3416 -42.4563 19.3408 93.3694 -19.8493 -42.4542 -19.8488 14.9342 GPRESSURE: 1212400 185.24 -89.4198 31.8731 69.8993 117.531 -32.9566 -67.9422 84.6851 71.7659 PRESSAVG: 1212400 54.7933 24.6129 -2.84151 24.6128 3.29128 -5.85686 -2.8414 -5.85695 -21.7568 GPRESSAVG: 1212400 54.5711 27.0572 -1.49606 24.3388 4.06451 -4.18341 -4.30574 -6.28744 -22.3547 TIMING: 1212400 CPU: 3521.37, 0.00297921/step Wall: 3521.37, 0.00297921/step, 3.13446 hours remaining, 205.203125 MB of memory in use. ENERGY: 1212400 698.9831 2073.8541 1984.2064 115.3753 -206351.6880 17938.7745 0.0000 0.0000 34348.9139 -149191.5806 299.9776 -183540.4944 -149089.5208 298.7907 92.2933 124.8455 557074.3487 12.1093 12.0936 PRESSURE: 1212600 -54.0481 -117.788 55.2046 -117.788 -143.382 -210.73 55.2035 -210.731 4.80985 GPRESSURE: 1212600 -79.9403 -139.916 15.2082 -2.98068 -89.4962 -256.878 38.6313 -200.801 63.0321 PRESSAVG: 1212600 28.0207 1.52262 -24.0089 1.52264 -93.0032 -51.6952 -24.0089 -51.6952 69.5756 GPRESSAVG: 1212600 27.6603 0.828229 -24.7872 0.903637 -93.3625 -53.0837 -23.7603 -51.3961 69.7717 TIMING: 1212600 CPU: 3521.95, 0.00292395/step Wall: 3521.95, 0.00292395/step, 3.07616 hours remaining, 205.273438 MB of memory in use. ENERGY: 1212600 716.1956 2110.2238 1988.9199 110.1082 -206093.3480 17742.1761 0.0000 0.0000 34345.6223 -149080.1020 299.9489 -183425.7244 -148988.9564 298.6664 -64.2067 -35.4681 557955.1535 1.5310 1.3565 PRESSURE: 1212800 181.302 -105.671 97.537 -105.671 -155.119 -49.9991 97.537 -49.9994 162.746 GPRESSURE: 1212800 179.929 -91.0987 103.101 -118.232 -87.2917 -32.2225 64.8552 -80.6239 193.473 PRESSAVG: 1212800 24.2022 14.5098 -20.8127 14.5097 -17.4128 -66.5074 -20.8127 -66.5076 29.1711 GPRESSAVG: 1212800 24.565 14.3407 -21.6366 14.802 -16.6629 -64.7118 -20.5159 -67.9158 27.8519 TIMING: 1212800 CPU: 3522.53, 0.00289782/step Wall: 3522.53, 0.00289782/step, 3.0485 hours remaining, 205.339844 MB of memory in use. ENERGY: 1212800 735.2146 2026.7518 1962.3910 117.1377 -206220.6419 17997.1053 0.0000 0.0000 34445.9239 -148936.1176 300.8248 -183382.0415 -148836.3219 299.8018 62.9765 95.3701 558950.5087 11.9868 11.9180 PRESSURE: 1213000 -148.465 -44.0238 203.794 -44.0241 -57.9502 -163.781 203.793 -163.782 -11.2956 GPRESSURE: 1213000 -113.815 -56.3155 250.014 -9.44305 71.3859 -111.948 170.522 -177.658 -72.7541 PRESSAVG: 1213000 -12.1257 -8.95861 10.3081 -8.9585 -63.6881 6.18306 10.3082 6.18309 74.5746 GPRESSAVG: 1213000 -10.615 -8.24961 12.6655 -7.94312 -64.2202 5.56198 9.64965 5.84831 74.0779 TIMING: 1213000 CPU: 3523.11, 0.0028837/step Wall: 3523.11, 0.0028837/step, 3.03349 hours remaining, 205.339844 MB of memory in use. ENERGY: 1213000 738.5411 2073.9346 1981.3534 107.6353 -205777.1042 17775.9817 0.0000 0.0000 34298.0010 -148801.6572 299.5330 -183099.6582 -148703.4493 300.2142 -72.5703 -38.3945 559861.5916 -0.4131 -0.2524 PRESSURE: 1213200 -120.827 -56.9276 -150.862 -56.9279 220.836 -59.8304 -150.863 -59.8311 28.1753 GPRESSURE: 1213200 -120.965 -101.356 -108.135 -1.65732 259.495 -56.0843 -143.188 -91.9284 84.8047 PRESSAVG: 1213200 -25.659 -33.3375 26.1282 -33.3374 42.8398 21.4919 26.1281 21.4917 -9.98299 GPRESSAVG: 1213200 -27.3212 -34.0029 22.9787 -34.0026 42.8139 21.9468 29.4587 21.0838 -8.54853 TIMING: 1213200 CPU: 3523.69, 0.00290662/step Wall: 3523.69, 0.00290662/step, 3.05745 hours remaining, 205.339844 MB of memory in use. ENERGY: 1213200 726.5503 2138.0839 1976.0673 120.8640 -205866.1178 17760.9915 0.0000 0.0000 34237.6906 -148905.8701 299.0063 -183143.5607 -148815.5870 300.1892 42.7281 74.4448 558349.8654 2.3993 2.3147 PRESSURE: 1213400 -237.021 -39.5671 107.127 -39.5663 -82.8096 -55.8217 107.128 -55.822 -262.5 GPRESSURE: 1213400 -241.019 -38.7961 86.4655 -70.8747 0.626179 -113.169 34.4245 -16.2994 -241.214 PRESSAVG: 1213400 -11.7803 8.93333 31.3667 8.9334 4.93042 6.75799 31.3666 6.75798 7.39278 GPRESSAVG: 1213400 -10.5473 6.36049 32.9969 9.06859 4.07198 5.83202 27.5309 8.82842 7.04909 TIMING: 1213400 CPU: 3524.27, 0.00288814/step Wall: 3524.27, 0.00288813/step, 3.03784 hours remaining, 205.339844 MB of memory in use. ENERGY: 1213400 755.3362 2083.0535 1969.8850 117.8516 -205844.7837 17534.8118 0.0000 0.0000 34295.5324 -149088.3132 299.5114 -183383.8457 -148989.1959 298.5518 -194.1103 -160.5358 558894.5446 0.1810 0.1913 PRESSURE: 1213600 -80.4267 -103.077 41.434 -103.077 -67.5932 135.086 41.4353 135.087 -245.076 GPRESSURE: 1213600 -42.7477 -96.7063 46.0885 -69.2262 0.954574 140.93 88.4505 97.004 -251 PRESSAVG: 1213600 98.2709 2.7854 60.0275 2.78539 -26.6469 37.9469 60.0275 37.9469 -62.2436 GPRESSAVG: 1213600 97.6738 4.93298 58.8941 2.49119 -26.3739 39.612 60.0004 37.8358 -61.9958 TIMING: 1213600 CPU: 3524.85, 0.00290274/step Wall: 3524.85, 0.00290274/step, 3.05304 hours remaining, 205.339844 MB of memory in use. ENERGY: 1213600 737.0547 2020.8788 1966.2937 121.2296 -205337.8600 17507.5217 0.0000 0.0000 34128.7881 -148856.0933 298.0552 -182984.8815 -148757.3078 299.3274 -131.0321 -97.5977 559292.2949 3.1268 3.1014 PRESSURE: 1213800 63.6389 -101.539 -67.1505 -101.537 211.625 119.727 -67.1504 119.727 -53.3715 GPRESSURE: 1213800 162.285 -132.227 -34.3145 -120.453 141.873 41.825 -70.62 215.776 23.1939 PRESSAVG: 1213800 -19.3952 0.283468 -19.0184 0.283495 10.8117 13.8001 -19.0183 13.8 -54.182 GPRESSAVG: 1213800 -18.6162 -0.368968 -19.0904 -0.0888773 11.22 12.5975 -17.2735 13.6136 -55.5292 TIMING: 1213800 CPU: 3525.43, 0.00291447/step Wall: 3525.43, 0.00291447/step, 3.06521 hours remaining, 205.339844 MB of memory in use. ENERGY: 1213800 777.1989 2092.0029 1931.6246 125.5139 -205898.4320 17944.7185 0.0000 0.0000 34229.3148 -148798.0584 298.9331 -183027.3732 -148710.1806 300.2910 73.9641 109.1173 558506.3888 -20.9218 -20.9751 PRESSURE: 1214000 6.212 -42.9257 112.244 -42.9264 -23.1125 -81.6087 112.245 -81.6097 -6.66945 GPRESSURE: 1214000 68.9404 -77.9779 169.062 41.0862 -33.5959 -128.392 22.7874 -37.3546 41.2793 PRESSAVG: 1214000 34.6046 2.9805 -9.23788 2.9805 -26.8434 41.5163 -9.23778 41.5163 30.7951 GPRESSAVG: 1214000 33.6205 5.43509 -7.87754 3.26926 -27.1041 41.662 -10.2995 41.6464 31.9507 TIMING: 1214000 CPU: 3526.01, 0.00289508/step Wall: 3526.01, 0.00289508/step, 3.04466 hours remaining, 205.339844 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: 1214000 721.1597 2058.9627 1959.3498 117.7592 -205994.7643 17885.5172 0.0000 0.0000 34380.9063 -148871.1094 300.2570 -183252.0156 -148775.9638 300.1324 -7.8567 25.5413 558790.6885 12.8521 12.8224 PRESSURE: 1214200 -49.0562 -34.6085 -8.18578 -34.6094 106.58 25.0656 -8.18596 25.0663 -95.7996 GPRESSURE: 1214200 17.1876 11.8513 28.991 -55.4295 131.831 -24.442 33.5427 9.56238 -86.4252 PRESSAVG: 1214200 -33.0445 3.99355 6.31749 3.99356 -7.15597 11.1318 6.31744 11.1318 -5.5049 GPRESSAVG: 1214200 -32.2516 2.03053 5.74753 1.68298 -6.50878 11.1517 6.62844 10.5515 -6.52539 TIMING: 1214200 CPU: 3526.59, 0.0028936/step Wall: 3526.59, 0.0028936/step, 3.04295 hours remaining, 205.339844 MB of memory in use. ENERGY: 1214200 745.0163 2119.0302 1950.6601 113.8080 -206099.2249 17963.7050 0.0000 0.0000 34263.0331 -148943.9722 299.2276 -183207.0053 -148854.5277 300.2395 -12.7587 20.8644 559888.8132 -15.2351 -15.0953 PRESSURE: 1214400 21.3899 89.8123 34.9847 89.8133 -53.4605 -6.95314 34.9845 -6.95198 146.848 GPRESSURE: 1214400 89.6772 76.6382 -1.76127 96.1834 25.2022 -86.3731 22.4723 -7.80818 98.1788 PRESSAVG: 1214400 18.3493 -1.5603 6.29074 -1.56027 28.7563 -66.5563 6.29068 -66.5564 -37.401 GPRESSAVG: 1214400 17.8564 -0.287118 6.7734 -0.362393 27.6736 -66.9851 6.07031 -65.1537 -35.6703 TIMING: 1214400 CPU: 3527.16, 0.00287519/step Wall: 3527.16, 0.00287519/step, 3.02342 hours remaining, 205.339844 MB of memory in use. ENERGY: 1214400 707.8329 2109.6427 1951.1788 99.7764 -206051.7127 17864.8798 0.0000 0.0000 34313.9888 -149004.4134 299.6726 -183318.4022 -148910.6948 300.3449 38.2593 71.0194 558275.7463 3.2349 3.2866 PRESSURE: 1214600 51.575 109.322 -35.3551 109.323 -319.164 -213.587 -35.3546 -213.587 157.139 GPRESSURE: 1214600 27.1771 118.938 -37.9806 103.496 -258.475 -98.1625 -147.177 -240.758 209.005 PRESSAVG: 1214600 -8.17375 -21.3733 16.4169 -21.3733 -49.0622 -8.07879 16.4168 -8.07891 45.1928 GPRESSAVG: 1214600 -8.33693 -20.7526 13.128 -22.5376 -47.9614 -10.5029 17.7664 -8.1855 44.3139 TIMING: 1214600 CPU: 3527.74, 0.00287526/step Wall: 3527.74, 0.00287526/step, 3.02333 hours remaining, 205.339844 MB of memory in use. ENERGY: 1214600 771.8895 2083.9727 1952.4154 119.8099 -205678.7925 17523.9344 0.0000 0.0000 34356.6133 -148870.1575 300.0448 -183226.7708 -148774.8814 299.4658 -36.8166 -7.4311 556940.8407 -4.0144 -3.9948 PRESSURE: 1214800 63.3747 74.1672 116.455 74.1673 147.483 -47.2776 116.455 -47.2778 163.573 GPRESSURE: 1214800 144.771 83.0358 106.152 18.0067 171.071 -33.0285 108.854 -108.852 155.374 PRESSAVG: 1214800 -18.1516 47.6787 -7.56859 47.6786 6.43048 -34.3206 -7.56851 -34.3206 48.0857 GPRESSAVG: 1214800 -16.7611 44.5772 -5.14314 47.3452 5.16349 -31.2989 -7.47891 -37.144 47.434 TIMING: 1214800 CPU: 3528.31, 0.00287879/step Wall: 3528.31, 0.00287879/step, 3.02689 hours remaining, 205.339844 MB of memory in use. ENERGY: 1214800 764.3576 2112.9742 1969.6311 110.0452 -205880.6952 17851.3931 0.0000 0.0000 34265.4309 -148806.8630 299.2485 -183072.2940 -148709.8767 299.8352 124.8100 157.0721 556778.5631 12.1215 11.9455 PRESSURE: 1215000 -393.489 68.7645 144.756 68.7637 -8.20894 151.257 144.756 151.259 -9.01633 GPRESSURE: 1215000 -322.131 58.2861 164.5 84.89 -34.7329 179.353 165.465 136.257 33.9812 PRESSAVG: 1215000 -36.486 -24.4281 28.8958 -24.4281 0.644166 14.1511 28.8959 14.1511 45.3101 GPRESSAVG: 1215000 -36.7591 -20.3343 29.5563 -23.2509 1.33267 12.6578 25.3641 16.1108 45.7311 TIMING: 1215000 CPU: 3528.89, 0.00288106/step Wall: 3528.89, 0.00288106/step, 3.02911 hours remaining, 205.339844 MB of memory in use. ENERGY: 1215000 723.1413 2042.0498 1977.9996 117.2999 -205462.0068 17319.9346 0.0000 0.0000 34445.5037 -148836.0778 300.8212 -183281.5815 -148739.0019 300.7221 -136.9049 -107.6277 558256.6638 3.1561 3.4349 PRESSURE: 1215200 32.3578 -79.7453 -74.0464 -79.7454 229.015 37.3193 -74.0463 37.3185 -7.28843 GPRESSURE: 1215200 121.511 -112.36 -95.701 -113.844 252.87 46.0809 -58.2291 20.4134 -27.345 PRESSAVG: 1215200 -65.6589 19.2786 12.3448 19.2787 18.2341 -13.3386 12.3448 -13.3385 31.1813 GPRESSAVG: 1215200 -66.5077 16.9265 11.1377 19.4687 18.2481 -13.4861 13.4392 -13.7894 32.1799 TIMING: 1215200 CPU: 3529.47, 0.00288231/step Wall: 3529.47, 0.00288231/step, 3.03026 hours remaining, 205.339844 MB of memory in use. ENERGY: 1215200 733.2197 2107.1987 1987.0860 112.7772 -205809.0533 17813.1645 0.0000 0.0000 34350.0008 -148705.6064 299.9871 -183055.6072 -148614.7444 300.6630 84.6947 115.6788 557366.5563 -5.4145 -5.3599 PRESSURE: 1215400 317.734 -143.262 1.90578 -143.263 230.118 -12.5487 1.90517 -12.5485 225.47 GPRESSURE: 1215400 376.824 -145.74 22.0873 -161.668 232.524 -27.1967 -5.28723 -42.5059 269.831 PRESSAVG: 1215400 6.77993 -21.4728 -4.71644 -21.4727 -18.6595 -34.1877 -4.71655 -34.1876 -32.9147 GPRESSAVG: 1215400 7.20266 -21.6565 -3.86976 -20.1216 -18.6654 -32.6759 -3.78793 -34.7296 -33.2107 TIMING: 1215400 CPU: 3530.04, 0.00289095/step Wall: 3530.04, 0.00289095/step, 3.03919 hours remaining, 205.339844 MB of memory in use. ENERGY: 1215400 756.8497 2124.3281 1994.2912 123.6691 -206234.9804 18059.7041 0.0000 0.0000 34244.8902 -148931.2481 299.0691 -183176.1383 -148838.2883 299.9093 257.7740 293.0595 557043.5846 -14.9314 -14.8911 PRESSURE: 1215600 -144.508 7.51088 -58.5618 7.50939 288.945 100.343 -58.5604 100.342 -208.994 GPRESSURE: 1215600 -113.411 45.3391 -106.464 -29.5895 311.514 86.0693 -79.483 144.315 -154.579 PRESSAVG: 1215600 74.0597 -11.0188 -17.1104 -11.0189 -3.74845 4.51528 -17.1104 4.51515 -89.1562 GPRESSAVG: 1215600 73.6551 -9.60061 -16.209 -12.4781 -4.43914 4.00469 -18.0854 4.43964 -87.9713 TIMING: 1215600 CPU: 3530.63, 0.0029087/step Wall: 3530.63, 0.0029087/step, 3.05769 hours remaining, 205.339844 MB of memory in use. ENERGY: 1215600 759.9444 2062.9984 1956.5687 116.4372 -206072.7942 17894.2197 0.0000 0.0000 34362.9440 -148919.6818 300.1001 -183282.6258 -148829.6752 299.7947 -21.5189 14.5076 557966.3157 -6.2817 -6.2518 PRESSURE: 1215800 -99.5404 41.1518 39.6624 41.153 -97.8929 55.954 39.6618 55.9521 -389.017 GPRESSURE: 1215800 -53.4062 -15.3085 24.7511 74.6122 -27.4069 21.497 8.74208 11.0798 -412.95 PRESSAVG: 1215800 1.0527 13.3415 6.11396 13.3414 51.9755 30.6975 6.11391 30.6975 -81.6412 GPRESSAVG: 1215800 1.57399 12.5204 3.25928 12.465 52.6955 30.4514 6.59231 31.1282 -83.0788 TIMING: 1215800 CPU: 3531.21, 0.00289686/step Wall: 3531.21, 0.00289686/step, 3.04508 hours remaining, 205.339844 MB of memory in use. ENERGY: 1215800 729.0226 2083.2721 1968.5209 116.6057 -205644.9367 17463.6786 0.0000 0.0000 34319.4245 -148964.4123 299.7201 -183283.8368 -148865.9798 299.8964 -195.4834 -164.5877 558954.9042 -9.5377 -9.6031 PRESSURE: 1216000 5.24216 5.45762 -22.6678 5.45823 -253.294 51.4444 -22.6687 51.4451 -330.655 GPRESSURE: 1216000 -3.66254 53.3937 -4.07331 29.0111 -209.963 5.90892 -45.3083 100.325 -261.406 PRESSAVG: 1216000 -18.6089 27.919 -23.3207 27.9191 -25.4527 -2.60648 -23.3207 -2.6065 1.58699 GPRESSAVG: 1216000 -18.9361 29.6543 -20.6229 28.3924 -24.9427 -1.37207 -22.4373 -0.993196 1.18594 TIMING: 1216000 CPU: 3531.78, 0.00287155/step Wall: 3531.78, 0.00287155/step, 3.01832 hours remaining, 205.339844 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: 1216000 786.2771 2079.4313 2011.1063 116.0325 -206002.7800 17707.3376 0.0000 0.0000 34386.3567 -148916.2384 300.3046 -183302.5951 -148816.6024 300.3912 -192.9022 -158.3438 558008.2204 -14.1582 -14.2309 PRESSURE: 1216200 -45.6292 -15.8493 -17.6752 -15.849 193.249 99.1224 -17.6765 99.1233 94.8605 GPRESSURE: 1216200 -24.7865 14.4032 -22.1534 -7.72258 179.263 13.7081 25.4953 96.0483 167.862 PRESSAVG: 1216200 -15.4754 35.2821 -13.6467 35.2822 74.4602 34.8678 -13.6467 34.8678 -39.077 GPRESSAVG: 1216200 -15.226 32.9358 -14.607 36.5652 73.6173 35.3063 -13.8757 33.3382 -39.0755 TIMING: 1216200 CPU: 3532.36, 0.00290348/step Wall: 3532.36, 0.00290348/step, 3.05172 hours remaining, 205.339844 MB of memory in use. ENERGY: 1216200 739.4720 2112.8378 1968.9283 122.3149 -206189.5364 17918.0491 0.0000 0.0000 34418.5369 -148909.3973 300.5856 -183327.9342 -148811.8864 300.4241 80.8267 107.4462 556613.2171 6.6359 6.4386 LDB: ============= START OF LOAD BALANCING ============== 3535.83 LDB: ============== END OF LOAD BALANCING =============== 3535.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3535.83 LDB: ============= START OF LOAD BALANCING ============== 3536.12 LDB: Largest compute 4820 load 0.027187 is 23.1% of average load 0.117628 LDB: Average compute 0.001733 is 1.5% of average load 0.117628 LDB: TIME 3536.12 LOAD: AVG 0.117628 MAX 0.177746 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.812 MB LDB: TIME 3536.12 LOAD: AVG 0.117628 MAX 0.177746 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: TIME 3536.12 LOAD: AVG 0.117628 MAX 0.177746 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3536.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3536.13 PRESSURE: 1216400 -258.199 -64.8749 -214.15 -64.8744 -145.174 27.5259 -214.15 27.5259 -117.745 GPRESSURE: 1216400 -207.723 -117.229 -160.56 -55.2121 -109.813 49.9431 -275.015 1.19162 -112.22 PRESSAVG: 1216400 -6.28949 -38.3371 1.28911 -38.3371 23.6203 9.80402 1.28907 9.80414 -41.1347 GPRESSAVG: 1216400 -6.94705 -37.8108 0.45822 -39.4108 23.2732 9.56588 1.15869 9.62513 -39.8613 TIMING: 1216400 CPU: 3532.95, 0.00296594/step Wall: 3532.95, 0.00296594/step, 3.1172 hours remaining, 204.421875 MB of memory in use. ENERGY: 1216400 739.4563 2069.9638 1955.8232 108.2717 -206156.5001 17698.4300 0.0000 0.0000 34478.9778 -149105.5774 301.1135 -183584.5552 -149007.0475 299.2787 -173.7059 -143.2518 558354.1395 -7.9346 -7.8450 PRESSURE: 1216600 154.725 -71.1924 63.272 -71.1916 22.1863 -32.7789 63.2722 -32.777 146.745 GPRESSURE: 1216600 138.237 -75.341 90.4553 -130.087 127.072 -101.36 6.71235 -19.2225 154.439 PRESSAVG: 1216600 12.0413 3.12439 46.2378 3.12447 11.7253 -30.0588 46.2378 -30.0588 -32.8907 GPRESSAVG: 1216600 12.0941 3.01953 47.5721 2.43134 13.1243 -30.1805 44.1419 -32.1358 -34.9604 TIMING: 1216600 CPU: 3533.54, 0.00292215/step Wall: 3533.54, 0.00292214/step, 3.07101 hours remaining, 204.679688 MB of memory in use. ENERGY: 1216600 725.0542 2150.1504 1940.4495 112.1727 -206023.9381 17835.3828 0.0000 0.0000 34157.0743 -149103.6544 298.3022 -183260.7286 -149005.2234 299.0073 107.8852 139.9158 558173.4057 -3.0414 -3.2473 PRESSURE: 1216800 -60.8802 87.8556 6.11692 87.8548 140.143 18.7638 6.11656 18.7648 -58.8286 GPRESSURE: 1216800 -9.54625 71.1006 -44.2937 41.2229 121.444 28.3221 -9.55327 41.1221 3.75564 PRESSAVG: 1216800 92.7916 57.0809 -4.12876 57.0809 -14.5903 15.5105 -4.12866 15.5106 -33.3577 GPRESSAVG: 1216800 92.7604 59.4415 -5.00932 57.1153 -15.3523 14.9522 -0.804652 17.1911 -32.9879 TIMING: 1216800 CPU: 3534.12, 0.00289621/step Wall: 3534.12, 0.00289621/step, 3.04359 hours remaining, 204.941406 MB of memory in use. ENERGY: 1216800 716.0024 2062.9974 1944.2084 108.6789 -205588.6431 17661.4484 0.0000 0.0000 34102.6162 -148992.6913 297.8266 -183095.3076 -148895.5359 299.5906 6.8114 38.5511 558435.0011 14.9478 14.8067 PRESSURE: 1217000 98.3614 53.148 -100.915 53.1485 67.4407 -41.0482 -100.915 -41.0459 -180.713 GPRESSURE: 1217000 121.574 141.545 -58.3564 31.8788 59.7447 -61.0169 -73.1256 -19.3808 -109.569 PRESSAVG: 1217000 68.1283 24.1775 18.6721 24.1774 45.6525 -40.4886 18.6722 -40.4887 -113.713 GPRESSAVG: 1217000 68.6036 22.5417 19.3449 25.0481 46.0574 -41.2472 17.0707 -39.6079 -113.818 TIMING: 1217000 CPU: 3534.7, 0.0029164/step Wall: 3534.7, 0.0029164/step, 3.06465 hours remaining, 204.941406 MB of memory in use. ENERGY: 1217000 739.7909 2107.5412 1970.7328 108.8500 -206060.1713 17896.0086 0.0000 0.0000 34347.4071 -148889.8408 299.9644 -183237.2478 -148801.9501 299.3021 -4.9703 23.9165 559069.6050 0.0225 0.2810 PRESSURE: 1217200 499.761 -2.74597 -18.5855 -2.74697 96.878 -100.796 -18.5842 -100.795 78.367 GPRESSURE: 1217200 489.726 14.4743 -3.79344 1.80629 160.78 -132.346 -85.5427 -136.762 126.436 PRESSAVG: 1217200 38.2986 18.6996 21.2973 18.6996 14.5274 -5.69996 21.2973 -5.69996 -97.4132 GPRESSAVG: 1217200 37.0384 18.409 21.2771 18.1068 14.8278 -5.17816 20.8004 -4.29706 -96.6304 TIMING: 1217200 CPU: 3535.28, 0.00291634/step Wall: 3535.28, 0.00291634/step, 3.06443 hours remaining, 204.941406 MB of memory in use. ENERGY: 1217200 725.8067 2058.3476 1954.1162 118.3172 -205989.8182 18001.2643 0.0000 0.0000 34322.3939 -148809.5724 299.7460 -183131.9663 -148712.5461 299.9465 225.0020 258.9808 558536.5507 -14.8624 -14.9214 PRESSURE: 1217400 -188.552 -86.2397 -132.603 -86.2391 -46.3484 75.1594 -132.603 75.1591 -280.304 GPRESSURE: 1217400 -99.1176 -5.46356 -115.761 -96.6427 -35.9466 -36.7397 -99.8277 58.0312 -292.304 PRESSAVG: 1217400 30.9432 -44.0835 54.7751 -44.0835 30.7315 -62.5374 54.775 -62.5373 -30.5413 GPRESSAVG: 1217400 33.3012 -44.537 55.791 -43.0792 29.6454 -62.2657 54.7639 -62.9266 -32.1087 TIMING: 1217400 CPU: 3535.86, 0.00290085/step Wall: 3535.86, 0.00290085/step, 3.04799 hours remaining, 204.941406 MB of memory in use. ENERGY: 1217400 751.1707 2090.8137 1954.1500 126.2636 -205455.4270 17447.8551 0.0000 0.0000 34272.8927 -148812.2812 299.3137 -183085.1739 -148718.5440 299.6420 -171.7345 -142.4562 559137.8001 10.3778 10.2793 PRESSURE: 1217600 -59.8544 30.427 -38.6636 30.4272 -251.712 145.665 -38.6638 145.666 19.8217 GPRESSURE: 1217600 10.4197 -7.79967 -15.8829 24.571 -214.373 162.655 -37.6061 97.4363 23.1836 PRESSAVG: 1217600 -0.942517 48.6599 10.0078 48.66 0.684894 -4.61652 10.0079 -4.61663 -57.7694 GPRESSAVG: 1217600 -2.13014 49.458 10.8222 48.3532 0.715745 -3.26434 9.30144 -3.89075 -56.909 TIMING: 1217600 CPU: 3536.45, 0.00292135/step Wall: 3536.45, 0.00292135/step, 3.06937 hours remaining, 204.941406 MB of memory in use. ENERGY: 1217600 763.3497 2020.7994 1972.5920 103.8095 -205529.2948 17618.6848 0.0000 0.0000 34187.8065 -148862.2528 298.5706 -183050.0594 -148769.3747 300.1657 -97.2483 -60.2565 558505.6665 -19.3423 -19.4411 PRESSURE: 1217800 201.628 -96.9879 -183.181 -96.9894 -184.741 -54.5724 -183.18 -54.5729 11.0581 GPRESSURE: 1217800 237.57 -147.712 -133.785 -105.419 -158.181 -97.1128 -122.711 21.328 54.1484 PRESSAVG: 1217800 44.0473 -28.8403 26.7832 -28.8402 -29.1999 -7.78548 26.7832 -7.78548 -3.80916 GPRESSAVG: 1217800 45.841 -31.9288 23.4816 -27.7191 -29.5674 -7.92983 26.1279 -7.74784 -4.58849 TIMING: 1217800 CPU: 3537.03, 0.00290743/step Wall: 3537.03, 0.00290743/step, 3.05458 hours remaining, 204.941406 MB of memory in use. ENERGY: 1217800 746.4055 2088.8030 1958.2496 118.6322 -205855.8739 17687.2259 0.0000 0.0000 34135.1898 -149121.3680 298.1111 -183256.5578 -149031.2716 299.9184 9.3148 44.5127 557033.0613 3.6794 3.8950 PRESSURE: 1218000 -158.453 -99.046 -52.4281 -99.0448 79.5857 12.3488 -52.429 12.3477 74.6397 GPRESSURE: 1218000 -105.051 -69.7369 -76.9666 -116.938 80.9546 -35.418 27.3827 60.2601 123.057 PRESSAVG: 1218000 59.8976 -18.0352 44.6797 -18.0352 -18.6887 -8.88256 44.6797 -8.88259 -35.0581 GPRESSAVG: 1218000 57.9505 -15.28 45.5741 -19.3679 -18.543 -9.4273 44.7579 -12.5838 -32.8299 TIMING: 1218000 CPU: 3537.61, 0.00289894/step Wall: 3537.61, 0.00289893/step, 3.04549 hours remaining, 204.941406 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: 1218000 713.7476 2034.9046 1959.3733 123.3165 -205809.6677 17732.7420 0.0000 0.0000 34133.6841 -149111.8996 298.0980 -183245.5837 -149010.3010 299.4127 -1.4092 32.9867 557511.7541 2.0503 2.1925 PRESSURE: 1218200 90.0665 -92.5893 147.359 -92.5893 -3.0728 11.0404 147.359 11.0398 170.548 GPRESSURE: 1218200 118.244 -94.4445 73.3686 -130.697 70.454 30.994 175.115 -27.6778 167.12 PRESSAVG: 1218200 16.0563 -21.0236 33.4301 -21.0236 -1.44605 -46.0303 33.4302 -46.0302 -11.6336 GPRESSAVG: 1218200 16.6282 -22.0133 33.218 -20.6902 0.0777269 -46.4911 35.356 -43.9316 -13.9497 TIMING: 1218200 CPU: 3538.19, 0.00290976/step Wall: 3538.19, 0.00290976/step, 3.05671 hours remaining, 204.941406 MB of memory in use. ENERGY: 1218200 791.8491 2060.3350 1967.9528 102.5910 -206118.5663 18019.0022 0.0000 0.0000 34277.3377 -148899.4985 299.3525 -183176.8362 -148806.1951 299.4082 85.8471 118.6061 557562.5817 0.9922 0.9187 PRESSURE: 1218400 -220.318 -57.9369 8.39141 -57.936 -4.10773 -44.5485 8.39166 -44.5467 -39.7905 GPRESSURE: 1218400 -136.669 33.4957 69.3281 -85.6719 9.05934 -70.2675 -28.6011 -49.3385 -43.6208 PRESSAVG: 1218400 32.9533 -4.94757 -13.7623 -4.94757 -5.13717 -35.1378 -13.7622 -35.1379 -18.9554 GPRESSAVG: 1218400 33.2199 -4.93311 -13.7674 -6.0746 -5.9721 -35.4413 -13.9891 -33.7872 -17.9176 TIMING: 1218400 CPU: 3538.77, 0.00289561/step Wall: 3538.77, 0.00289561/step, 3.04167 hours remaining, 204.941406 MB of memory in use. ENERGY: 1218400 754.5817 2039.1262 1982.0071 123.6699 -205861.4862 17757.5356 0.0000 0.0000 34292.4822 -148912.0834 299.4848 -183204.5656 -148819.3637 299.8893 -88.0720 -57.0770 558182.7968 2.9536 3.1101 PRESSURE: 1218600 -155.959 -114.545 -28.2722 -114.546 -180.188 48.819 -28.2729 48.8193 116.559 GPRESSURE: 1218600 -110.092 -91.9872 -31.9884 -35.2773 -104.506 23.7499 -5.96597 37.7641 100.998 PRESSAVG: 1218600 -11.6373 -13.6777 -71.4258 -13.6776 -24.2504 41.2879 -71.4257 41.2878 44.2298 GPRESSAVG: 1218600 -11.3431 -13.8706 -71.3694 -12.541 -24.1099 42.0367 -72.7558 40.188 43.819 TIMING: 1218600 CPU: 3539.35, 0.00288792/step Wall: 3539.35, 0.00288792/step, 3.03343 hours remaining, 204.941406 MB of memory in use. ENERGY: 1218600 751.0210 2044.5861 1994.7704 117.2908 -206578.8050 17833.8448 0.0000 0.0000 34618.3741 -149218.9177 302.3309 -183837.2919 -149119.5835 300.2327 -73.1959 -37.8668 558446.0691 2.7807 2.7887 PRESSURE: 1218800 123.774 -97.011 50.1343 -97.0108 12.2712 -30.8886 50.1359 -30.8886 66.2483 GPRESSURE: 1218800 146.015 -121.419 60.4276 -54.5763 66.4517 -21.0309 -22.1586 18.9604 88.5009 PRESSAVG: 1218800 16.0669 15.624 32.1621 15.624 -10.8152 3.09451 32.1621 3.09452 11.3293 GPRESSAVG: 1218800 15.7938 16.4112 31.3725 16.4725 -9.78915 2.15439 33.0918 3.13858 10.6012 TIMING: 1218800 CPU: 3539.93, 0.00290621/step Wall: 3539.93, 0.00290621/step, 3.05249 hours remaining, 204.941406 MB of memory in use. ENERGY: 1218800 755.4443 2053.9000 1963.9741 118.5669 -206103.0350 17919.0977 0.0000 0.0000 34090.4313 -149201.6206 297.7202 -183292.0519 -149103.2662 299.3305 67.4310 100.3227 557771.9789 5.5270 5.5353 PRESSURE: 1219000 -175.594 119.998 -126.628 119.996 -209.342 135.573 -126.629 135.573 -66.5123 GPRESSURE: 1219000 -140.563 187.411 -118.407 82.9009 -229.507 98.1953 -84.8064 237.143 0.721054 PRESSAVG: 1219000 -22.4387 16.9316 26.1933 16.9316 -43.4424 14.7019 26.1932 14.7019 25.6076 GPRESSAVG: 1219000 -22.4866 18.7858 27.4008 17.1055 -44.4796 15.0874 24.5473 16.3514 25.8734 TIMING: 1219000 CPU: 3540.51, 0.00290858/step Wall: 3540.51, 0.00290858/step, 3.05481 hours remaining, 204.941406 MB of memory in use. ENERGY: 1219000 742.3617 2085.5387 1963.6195 108.7870 -206102.5656 17636.3476 0.0000 0.0000 34197.6661 -149368.2450 298.6567 -183565.9111 -149276.7086 298.6579 -150.4829 -123.1163 558981.8370 -13.4245 -13.6976 PRESSURE: 1219200 -253.394 83.0589 -23.648 83.0589 -9.59008 34.135 -23.6492 34.1346 -115.123 GPRESSURE: 1219200 -207.919 92.3567 22.3756 45.4604 -0.786319 39.8233 3.49309 34.0146 -78.4088 PRESSAVG: 1219200 5.02891 59.4176 10.4342 59.4176 -5.01914 4.78028 10.4342 4.78027 -18.9475 GPRESSAVG: 1219200 4.16486 58.0325 8.4096 59.0391 -4.84189 5.81957 11.9698 2.95043 -18.4387 TIMING: 1219200 CPU: 3541.09, 0.00290096/step Wall: 3541.09, 0.00290096/step, 3.04665 hours remaining, 204.941406 MB of memory in use. ENERGY: 1219200 762.3962 2012.5565 1971.7902 123.5151 -205949.8557 17701.4966 0.0000 0.0000 34058.7679 -149319.3332 297.4437 -183378.1011 -149224.2808 299.8144 -126.0357 -95.7046 557454.3189 -6.3126 -6.3719 PRESSURE: 1219400 14.0588 75.9752 13.088 75.9742 -47.7849 -55.0587 13.0866 -55.0591 -159.821 GPRESSURE: 1219400 59.716 37.7556 -24.3556 12.1175 2.99918 27.3839 53.9341 -44.1448 -163.372 PRESSAVG: 1219400 -35.0644 67.8277 -14.2789 67.8276 13.3527 7.77694 -14.2788 7.77692 51.4746 GPRESSAVG: 1219400 -35.2612 65.9765 -12.9031 69.1128 13.0873 8.53464 -15.2088 9.04525 51.7763 TIMING: 1219400 CPU: 3541.67, 0.00290247/step Wall: 3541.67, 0.00290247/step, 3.04808 hours remaining, 204.941406 MB of memory in use. ENERGY: 1219400 737.2395 2127.1581 1963.6119 113.3828 -206432.8896 17839.0002 0.0000 0.0000 34590.0396 -149062.4574 302.0834 -183652.4970 -148967.5728 298.8940 -64.5156 -33.5524 558301.5779 9.9210 9.8674 PRESSURE: 1219600 192.463 267.602 54.7211 267.603 191.317 14.0891 54.7222 14.0905 -67.3751 GPRESSURE: 1219600 201.777 257.97 -19.7395 277.431 217.87 21.9646 118.297 17.509 5.86542 PRESSAVG: 1219600 -51.1491 21.4722 17.9438 21.4723 36.9601 -11.0298 17.9438 -11.0298 -5.12768 GPRESSAVG: 1219600 -51.903 22.2617 16.2469 19.5645 37.4294 -10.9765 17.7271 -12.6093 -4.82769 TIMING: 1219600 CPU: 3542.25, 0.00290403/step Wall: 3542.25, 0.00290403/step, 3.04955 hours remaining, 204.941406 MB of memory in use. ENERGY: 1219600 754.0628 2089.8696 1950.5074 105.2079 -206424.0503 18150.3059 0.0000 0.0000 34271.3080 -149102.7887 299.2999 -183374.0967 -149000.9116 299.1796 105.4685 141.8376 558552.8095 -6.4389 -6.4338 PRESSURE: 1219800 20.0439 -41.8281 -130.192 -41.8279 -27.5152 63.938 -130.191 63.9395 -110.671 GPRESSURE: 1219800 76.391 -83.6551 58.3392 -28.221 -34.5104 65.3537 -212.678 26.0807 -72.9237 PRESSAVG: 1219800 14.2595 71.4279 -13.7095 71.4279 24.3619 -0.653077 -13.7094 -0.653086 -38.6791 GPRESSAVG: 1219800 13.5792 71.5918 -10.7457 70.9247 25.6432 -2.79121 -13.2989 0.617591 -39.5301 TIMING: 1219800 CPU: 3542.83, 0.00289979/step Wall: 3542.83, 0.00289979/step, 3.04494 hours remaining, 204.941406 MB of memory in use. ENERGY: 1219800 744.5505 2087.0721 1973.7452 98.3345 -206102.0630 17678.2536 0.0000 0.0000 34398.2724 -149121.8347 300.4087 -183520.1072 -149015.0207 299.5469 -39.3806 -10.3477 557219.4458 -0.0192 -0.1026 PRESSURE: 1220000 357.571 155.569 47.3849 155.569 85.0676 -253.001 47.3854 -253.001 143.041 GPRESSURE: 1220000 352.854 133.476 93.7824 215.58 74.4633 -350.25 13.1876 -100.69 249.435 PRESSAVG: 1220000 40.467 17.1972 -19.8215 17.1971 -61.6317 -69.453 -19.8214 -69.4531 8.94231 GPRESSAVG: 1220000 41.6688 17.8994 -22.1482 18.6404 -62.9054 -69.9334 -17.8435 -70.3746 8.50763 TIMING: 1220000 CPU: 3543.41, 0.00290318/step Wall: 3543.41, 0.00290318/step, 3.04834 hours remaining, 204.941406 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: 1220000 703.1994 2062.6507 1991.2142 113.9294 -206210.5828 18100.8262 0.0000 0.0000 34238.9650 -148999.7980 299.0174 -183238.7630 -148902.6180 299.2607 195.2263 225.5840 557831.1457 -4.0741 -4.2430 PRESSURE: 1220200 104.861 -133.069 -43.3448 -133.069 -4.18682 73.2186 -43.344 73.2179 -11.8163 GPRESSURE: 1220200 130.932 -89.1679 -107.747 -150.715 34.1079 170.343 -69.6277 -27.5172 16.589 PRESSAVG: 1220200 -12.7992 42.9571 8.09617 42.9571 41.0654 -4.35139 8.09612 -4.35157 12.9717 GPRESSAVG: 1220200 -12.3717 43.5638 9.574 42.777 41.1765 -3.56571 7.05346 -1.63252 12.1611 TIMING: 1220200 CPU: 3543.99, 0.00289728/step Wall: 3543.99, 0.00289728/step, 3.04198 hours remaining, 204.941406 MB of memory in use. ENERGY: 1220200 734.4147 2090.2529 1967.0988 97.6599 -206465.6786 17975.3988 0.0000 0.0000 34451.4623 -149149.3913 300.8732 -183600.8535 -149054.5244 299.7519 29.6194 60.5429 558720.6093 13.7460 13.6553 LDB: ============= START OF LOAD BALANCING ============== 3547.46 LDB: ============== END OF LOAD BALANCING =============== 3547.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3547.46 LDB: ============= START OF LOAD BALANCING ============== 3547.75 LDB: Largest compute 4820 load 0.028435 is 24.2% of average load 0.117608 LDB: Average compute 0.001732 is 1.5% of average load 0.117608 LDB: TIME 3547.75 LOAD: AVG 0.117608 MAX 0.178087 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.273 MB LDB: TIME 3547.75 LOAD: AVG 0.117608 MAX 0.178087 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 3547.75 LOAD: AVG 0.117608 MAX 0.178087 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3547.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3547.76 PRESSURE: 1220400 -124.249 59.5503 91.373 59.553 91.3456 28.5025 91.3742 28.5018 27.8962 GPRESSURE: 1220400 -70.8353 132.608 130.43 47.0182 67.8764 12.7736 36.1004 109.26 79.3353 PRESSAVG: 1220400 -10.2564 -11.4094 -45.3111 -11.4093 15.1306 9.16024 -45.3111 9.16027 1.86927 GPRESSAVG: 1220400 -11.252 -11.3235 -45.0739 -11.0369 13.8241 11.1616 -45.5273 6.67441 3.95667 TIMING: 1220400 CPU: 3544.58, 0.00295245/step Wall: 3544.58, 0.00295245/step, 3.09975 hours remaining, 205.714844 MB of memory in use. ENERGY: 1220400 724.8036 2084.2225 1984.7908 106.8096 -206090.4938 17658.9479 0.0000 0.0000 34338.3140 -149192.6055 299.8850 -183530.9195 -149089.2952 298.9583 -1.6691 25.4588 556765.9336 2.2478 2.1763 PRESSURE: 1220600 -145.536 48.7228 -46.1561 48.7221 -76.0518 -42.6092 -46.1561 -42.6087 -112.368 GPRESSURE: 1220600 -93.8262 127.138 -54.8091 7.09594 -120.269 -99.2672 -56.1962 -42.0702 -26.9742 PRESSAVG: 1220600 18.1075 -13.2511 -0.753199 -13.2512 7.16515 -10.6916 -0.75309 -10.6917 9.74323 GPRESSAVG: 1220600 18.7037 -12.9638 -3.48833 -13.2802 8.14535 -12.1932 -1.04939 -9.31173 7.92205 TIMING: 1220600 CPU: 3545.16, 0.00289078/step Wall: 3545.16, 0.00289078/step, 3.03484 hours remaining, 205.714844 MB of memory in use. ENERGY: 1220600 751.8581 2079.6061 1950.9368 115.8665 -205933.1724 17573.5538 0.0000 0.0000 34108.2024 -149353.1487 297.8754 -183461.3511 -149251.7126 298.9453 -111.3188 -80.3564 557920.6356 11.6719 11.5904 PRESSURE: 1220800 -38.257 -71.3865 4.78297 -71.3858 59.2625 -5.17125 4.78332 -5.17199 -18.5654 GPRESSURE: 1220800 38.3747 -42.0759 -81.3032 -102.734 59.5376 -41.4322 89.12 -53.572 9.30889 PRESSAVG: 1220800 -32.2526 -7.82438 32.4796 -7.82443 35.5177 -2.05105 32.4796 -2.051 -8.01 GPRESSAVG: 1220800 -32.505 -7.90239 33.4422 -7.55422 35.3938 -1.30373 32.4341 -3.5792 -7.55871 TIMING: 1220800 CPU: 3545.74, 0.00287844/step Wall: 3545.74, 0.00287844/step, 3.02172 hours remaining, 205.753906 MB of memory in use. ENERGY: 1220800 759.3266 2075.1941 1981.0983 117.1791 -206405.1971 17899.6280 0.0000 0.0000 34178.0477 -149394.7233 298.4854 -183572.7710 -149292.3901 299.2678 0.8134 35.7404 556334.3603 -1.5816 -1.5566 PRESSURE: 1221000 -39.3095 90.5539 117.532 90.5518 -89.246 -128.862 117.531 -128.861 36.3663 GPRESSURE: 1221000 16.2674 79.0427 163.057 16.1006 -72.2158 -75.7564 83.2467 -157.442 68.6514 PRESSAVG: 1221000 68.6009 -51.5051 -3.42336 -51.5052 -10.6943 7.61408 -3.42342 7.61416 -46.1277 GPRESSAVG: 1221000 68.7787 -50.1512 -2.1901 -53.1402 -11.2924 6.38684 -2.30586 9.08249 -45.5628 TIMING: 1221000 CPU: 3546.32, 0.0028924/step Wall: 3546.32, 0.0028924/step, 3.03622 hours remaining, 205.753906 MB of memory in use. ENERGY: 1221000 749.9596 2081.8737 1970.6166 110.0482 -206600.2764 17898.0101 0.0000 0.0000 34104.6725 -149685.0957 297.8446 -183789.7682 -149582.8104 298.5312 -30.7298 4.2343 555785.3863 3.9263 3.9745 PRESSURE: 1221200 50.448 118.961 2.75297 118.961 -82.3081 -303.568 2.75273 -303.567 -217.554 GPRESSURE: 1221200 28.4623 58.8277 3.20567 127.179 20.2072 -362.472 94.0897 -283.608 -190.709 PRESSAVG: 1221200 26.5026 9.20238 40.9797 9.20244 -13.9518 -39.5336 40.9796 -39.5335 10.1572 GPRESSAVG: 1221200 26.5918 5.94168 41.4344 10.675 -13.4704 -38.733 39.8356 -39.6949 9.34076 TIMING: 1221200 CPU: 3546.89, 0.00288572/step Wall: 3546.89, 0.00288572/step, 3.02905 hours remaining, 205.753906 MB of memory in use. ENERGY: 1221200 743.4473 2059.6042 1974.7926 109.2223 -206571.1341 17901.2744 0.0000 0.0000 34297.9001 -149484.8932 299.5321 -183782.7933 -149391.7452 298.3319 -83.1382 -47.3465 557675.5943 7.5694 7.4874 PRESSURE: 1221400 -134.595 -245.575 -33.7693 -245.574 126.742 96.0675 -33.77 96.0681 13.6614 GPRESSURE: 1221400 -73.3438 -210.5 -115.573 -187.143 131.495 82.4469 48.452 -1.60526 49.1996 PRESSAVG: 1221400 28.276 -40.6145 -39.834 -40.6144 22.8379 32.876 -39.8339 32.876 -13.6833 GPRESSAVG: 1221400 27.371 -39.1605 -38.4307 -39.3687 23.1698 31.2502 -40.4303 31.9267 -13.0639 TIMING: 1221400 CPU: 3547.47, 0.00289799/step Wall: 3547.47, 0.00289799/step, 3.04176 hours remaining, 205.753906 MB of memory in use. ENERGY: 1221400 739.1406 2079.1931 1989.2797 110.5858 -206558.9325 17915.1645 0.0000 0.0000 34313.0120 -149412.5568 299.6641 -183725.5688 -149319.3810 298.4535 1.9362 35.7835 557365.9050 12.4768 12.4923 PRESSURE: 1221600 41.3084 -175.624 221.216 -175.624 -128.097 -96.3378 221.215 -96.3383 -129.882 GPRESSURE: 1221600 62.1584 -207.782 165.701 -155.781 -81.0798 -145.408 236.503 -54.4941 -92.7914 PRESSAVG: 1221600 42.5753 -35.2481 34.7989 -35.2481 1.94955 -26.6436 34.799 -26.6435 -27.9544 GPRESSAVG: 1221600 42.6838 -34.2931 31.5875 -35.8257 1.35527 -27.3363 37.4659 -26.0662 -27.2639 TIMING: 1221600 CPU: 3548.05, 0.00288711/step Wall: 3548.05, 0.00288711/step, 3.03018 hours remaining, 205.753906 MB of memory in use. ENERGY: 1221600 738.0321 2032.3302 1965.0272 103.2947 -205995.6265 17708.1777 0.0000 0.0000 33980.2048 -149468.5598 296.7576 -183448.7646 -149381.2103 298.1909 -72.2238 -37.2376 556712.2308 5.5235 5.5917 PRESSURE: 1221800 178.548 -1.94193 85.7357 -1.94201 15.7708 238.112 85.7357 238.114 -21.551 GPRESSURE: 1221800 246.642 -75.1617 91.9833 14.9455 32.589 266.271 89.7823 244.76 -9.88607 PRESSAVG: 1221800 21.1076 25.0681 -9.03879 25.0682 -41.5456 79.0618 -9.03882 79.0619 24.9359 GPRESSAVG: 1221800 20.3208 24.11 -8.44873 24.4769 -41.0045 79.6638 -10.5653 79.4729 24.533 TIMING: 1221800 CPU: 3548.63, 0.0028876/step Wall: 3548.63, 0.0028876/step, 3.03054 hours remaining, 205.753906 MB of memory in use. ENERGY: 1221800 760.2935 2058.9260 1962.2086 109.7867 -206414.0761 17918.2262 0.0000 0.0000 34198.1271 -149406.5081 298.6607 -183604.6352 -149302.7915 298.3913 57.5891 89.7816 555328.1806 1.4993 1.2831 PRESSURE: 1222000 -220.142 144.908 50.6755 144.91 -309.361 134.635 50.6757 134.633 -78.7454 GPRESSURE: 1222000 -179.241 132.34 14.9512 159.292 -359.239 139.355 31.0777 147.06 26.2283 PRESSAVG: 1222000 19.9238 2.83074 31.0497 2.8307 -39.7588 10.2869 31.0496 10.2868 15.6272 GPRESSAVG: 1222000 21.361 3.78206 31.1524 4.05447 -40.2137 10.9086 29.6211 10.3025 14.9381 TIMING: 1222000 CPU: 3549.21, 0.00289956/step Wall: 3549.21, 0.00289956/step, 3.04293 hours remaining, 205.753906 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: 1222000 756.0738 2120.8901 1969.4686 104.3768 -206093.3905 17426.5676 0.0000 0.0000 34282.5475 -149433.4662 299.3980 -183716.0136 -149335.5078 298.9413 -202.7496 -170.7504 555275.1520 -1.4026 -1.3048 PRESSURE: 1222200 32.4603 -2.7981 154.194 -2.79773 303.02 114.975 154.194 114.974 184.805 GPRESSURE: 1222200 73.0402 49.2788 199.804 7.17335 338.784 114.185 194.668 116.285 208.734 PRESSAVG: 1222200 1.44729 17.1732 -9.96983 17.1732 13.171 28.7318 -9.96991 28.7316 6.07401 GPRESSAVG: 1222200 0.581064 17.0612 -9.88561 14.8558 13.9752 28.5789 -8.12376 29.0326 6.11357 TIMING: 1222200 CPU: 3549.79, 0.0028896/step Wall: 3549.79, 0.0028896/step, 3.03231 hours remaining, 205.753906 MB of memory in use. ENERGY: 1222200 751.1143 2134.4173 1950.3752 119.2802 -206541.0428 18098.0381 0.0000 0.0000 34060.7951 -149427.0225 297.4614 -183487.8177 -149335.9159 299.0309 173.4284 206.8527 556430.0410 6.8974 6.8899 PRESSURE: 1222400 -87.8609 65.8145 117.175 65.8154 90.2445 85.3955 117.175 85.396 43.6032 GPRESSURE: 1222400 -3.351 -19.2457 86.0156 111.227 123.187 60.561 126.121 51.4389 22.369 PRESSAVG: 1222400 -60.0308 3.47933 -37.1477 3.47928 55.906 14.7721 -37.1476 14.7721 25.1657 GPRESSAVG: 1222400 -60.0917 1.33996 -39.3888 5.37451 55.6874 14.3992 -36.2997 15.2315 25.0999 TIMING: 1222400 CPU: 3550.37, 0.00290547/step Wall: 3550.37, 0.00290547/step, 3.04881 hours remaining, 205.753906 MB of memory in use. ENERGY: 1222400 725.6169 2097.0590 1988.9344 106.8265 -206337.8544 17827.2725 0.0000 0.0000 34346.3661 -149245.7790 299.9554 -183592.1451 -149144.1008 299.5904 15.3289 47.4018 556894.8250 7.0136 6.8985 PRESSURE: 1222600 238.257 64.8389 11.861 64.8392 209.255 -5.81469 11.8616 -5.81466 338.958 GPRESSURE: 1222600 254.168 79.0561 4.64208 79.9491 271.161 -43.2546 119.866 58.2352 359.229 PRESSAVG: 1222600 -5.90638 41.5861 0.190785 41.5862 -35.1879 21.3768 0.190885 21.3768 56.3323 GPRESSAVG: 1222600 -5.52679 44.8016 3.62916 41.0841 -34.9829 20.2937 -0.511628 21.0481 55.8892 TIMING: 1222600 CPU: 3550.95, 0.00291998/step Wall: 3550.95, 0.00291998/step, 3.06387 hours remaining, 205.753906 MB of memory in use. ENERGY: 1222600 710.8492 2104.8384 1945.7161 110.7089 -206750.5289 18198.1132 0.0000 0.0000 34359.7758 -149320.5273 300.0725 -183680.3031 -149227.5589 299.4774 262.1567 294.8528 555554.8154 5.0793 5.1265 PRESSURE: 1222800 -0.0201903 55.9607 -199.818 55.9605 114.348 -49.6863 -199.817 -49.6874 -55.3257 GPRESSURE: 1222800 45.3586 39.4706 -124.437 41.5529 211.163 -110.317 -264.401 3.52879 -105.446 PRESSAVG: 1222800 -5.48145 -7.42871 -25.0839 -7.42865 33.0395 22.363 -25.0838 22.363 -24.4192 GPRESSAVG: 1222800 -6.12785 -8.32093 -26.5157 -7.1052 33.3372 22.4617 -26.4334 22.5174 -24.0241 TIMING: 1222800 CPU: 3551.53, 0.00291592/step Wall: 3551.53, 0.00291592/step, 3.05945 hours remaining, 205.753906 MB of memory in use. ENERGY: 1222800 766.9857 2100.9095 1971.3994 119.3999 -206199.7883 17783.2878 0.0000 0.0000 34192.5611 -149265.2449 298.6121 -183457.8060 -149179.3768 299.2380 19.6673 50.3585 555987.3469 1.0463 1.0618 PRESSURE: 1223000 23.4891 -95.1835 -177.76 -95.1821 -132.634 84.3316 -177.76 84.3323 155.024 GPRESSURE: 1223000 40.6583 -166.808 -173.009 -76.4373 -107.028 74.152 -158.895 45.5833 218.698 PRESSAVG: 1223000 1.1633 -53.477 -55.854 -53.477 -11.63 -2.92422 -55.8539 -2.92428 27.3628 GPRESSAVG: 1223000 2.10876 -53.6952 -52.9546 -55.6502 -12.1275 -0.472766 -58.9945 -4.38069 27.3661 TIMING: 1223000 CPU: 3552.11, 0.00290229/step Wall: 3552.11, 0.00290229/step, 3.04499 hours remaining, 205.753906 MB of memory in use. ENERGY: 1223000 724.8312 2098.0673 2000.9694 116.3086 -206458.4773 17770.4034 0.0000 0.0000 34499.7029 -149248.1944 301.2945 -183747.8974 -149153.7521 299.9367 15.2933 50.7758 554985.8181 5.6321 5.7825 PRESSURE: 1223200 77.9582 -138.993 72.1537 -138.994 25.6983 -16.5929 72.1541 -16.5923 -101.245 GPRESSURE: 1223200 86.2213 -128.243 169.552 -80.9372 65.958 -16.9477 19.3493 -21.7812 -61.6852 PRESSAVG: 1223200 -57.0692 -38.0504 -25.71 -38.0504 57.9895 62.162 -25.7101 62.162 21.2028 GPRESSAVG: 1223200 -57.1339 -36.4899 -27.0492 -38.566 58.4062 63.0822 -23.5766 61.1944 20.9625 TIMING: 1223200 CPU: 3552.7, 0.0029124/step Wall: 3552.7, 0.0029124/step, 3.05543 hours remaining, 205.753906 MB of memory in use. ENERGY: 1223200 785.8549 2156.9601 1972.4211 108.7764 -206445.8018 17733.2247 0.0000 0.0000 34350.7276 -149337.8371 299.9934 -183688.5646 -149245.0799 299.1515 0.8037 30.1647 556243.5566 7.3744 7.4116 PRESSURE: 1223400 -231.033 94.0573 -107.645 94.0572 6.28656 57.0476 -107.646 57.047 224.511 GPRESSURE: 1223400 -136.682 93.9685 -52.4103 89.7823 33.7032 59.7288 -95.831 94.2128 203.766 PRESSAVG: 1223400 -36.7023 -12.6471 -7.21323 -12.6472 40.7143 4.00641 -7.21327 4.0065 -36.6368 GPRESSAVG: 1223400 -36.1348 -14.1678 -7.67788 -12.121 40.9228 1.96821 -8.44212 4.55169 -36.4877 TIMING: 1223400 CPU: 3553.28, 0.00292948/step Wall: 3553.28, 0.00292948/step, 3.07319 hours remaining, 205.953125 MB of memory in use. ENERGY: 1223400 763.2773 2115.5628 1968.7602 117.9072 -206713.1740 18048.5670 0.0000 0.0000 34355.7746 -149343.3249 300.0375 -183699.0995 -149248.8260 298.2462 -0.0783 33.5955 556774.4945 -10.8749 -10.5666 PRESSURE: 1223600 22.8336 46.7007 37.9164 46.7015 216.58 56.1694 37.9164 56.1689 342.156 GPRESSURE: 1223600 71.4035 105.711 -29.9339 16.3006 256.964 30.2609 84.4429 -29.0948 355.95 PRESSAVG: 1223600 -24.966 -0.238386 -2.45094 -0.238421 6.88992 15.8582 -2.45096 15.8582 41.0369 GPRESSAVG: 1223600 -24.7527 0.817567 -3.06761 1.76396 7.2666 15.7656 0.654003 16.1778 39.8987 TIMING: 1223600 CPU: 3553.86, 0.00289609/step Wall: 3553.86, 0.00289609/step, 3.03799 hours remaining, 205.953125 MB of memory in use. ENERGY: 1223600 733.0932 2084.2570 1969.4081 99.0469 -206582.9568 18087.8235 0.0000 0.0000 34245.9953 -149363.3327 299.0788 -183609.3280 -149261.4353 298.1140 193.8565 228.1056 556843.7477 7.6536 7.4709 PRESSURE: 1223800 -73.8216 -209.612 9.30934 -209.612 -99.9706 168.073 9.31014 168.075 -46.0959 GPRESSURE: 1223800 -13.39 -128.579 -50.8713 -193.566 -48.9812 174.178 -44.3258 233.729 -54.1823 PRESSAVG: 1223800 -0.807262 -55.7952 -22.8712 -55.7952 18.8565 44.7462 -22.8712 44.7462 -8.00622 GPRESSAVG: 1223800 -1.62183 -54.1183 -20.5396 -57.3233 17.8996 42.9399 -24.9494 46.9842 -6.41619 TIMING: 1223800 CPU: 3554.44, 0.00289412/step Wall: 3554.44, 0.00289412/step, 3.03577 hours remaining, 205.953125 MB of memory in use. ENERGY: 1223800 733.6418 2134.9642 1980.4807 125.3520 -206409.4275 17764.3361 0.0000 0.0000 34289.6998 -149380.9529 299.4605 -183670.6527 -149286.0689 298.8208 -73.2960 -38.8512 556000.8729 3.3477 3.2872 PRESSURE: 1224000 -173.841 143.949 44.3502 143.949 -178.891 42.8445 44.3498 42.8444 107.903 GPRESSURE: 1224000 -169.767 166.363 73.797 105.929 -124.197 63.5338 -1.8561 -37.6502 161.387 PRESSAVG: 1224000 37.767 -42.1655 15.0607 -42.1654 13.1978 0.932637 15.0606 0.9325 -19.9705 GPRESSAVG: 1224000 37.833 -44.4521 13.3254 -41.6355 14.2468 2.26938 14.6916 0.568183 -20.4738 TIMING: 1224000 CPU: 3555.02, 0.00290425/step Wall: 3555.02, 0.00290425/step, 3.04623 hours remaining, 205.953125 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: 1224000 752.9569 2088.8288 1958.0746 117.4920 -205936.7722 17589.7017 0.0000 0.0000 34297.5089 -149132.2094 299.5287 -183429.7183 -149037.1580 299.1593 -81.6095 -44.1922 556691.0783 10.3314 10.5353 PRESSURE: 1224200 -198.737 58.0069 -1.1028 58.0069 -111.236 109.733 -1.1027 109.733 -131.567 GPRESSURE: 1224200 -188.467 8.55967 -79.9817 54.5806 -90.1675 93.5349 31.4955 205.785 -63.5596 PRESSAVG: 1224200 -1.81812 -19.7114 29.4242 -19.7114 -34.8666 -24.1514 29.424 -24.1515 51.6491 GPRESSAVG: 1224200 -1.26387 -21.3683 28.9561 -19.4927 -35.6538 -24.5178 31.3164 -25.3397 52.1597 TIMING: 1224200 CPU: 3555.61, 0.0029275/step Wall: 3555.61, 0.0029275/step, 3.07046 hours remaining, 205.953125 MB of memory in use. ENERGY: 1224200 767.4999 2094.3578 1944.8615 119.5381 -205814.1537 17422.0928 0.0000 0.0000 34350.7245 -149115.0790 299.9934 -183465.8035 -149014.8100 299.4435 -147.1800 -114.0647 557430.8185 4.9881 5.0807 LDB: ============= START OF LOAD BALANCING ============== 3559.07 LDB: ============== END OF LOAD BALANCING =============== 3559.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3559.07 LDB: ============= START OF LOAD BALANCING ============== 3559.36 LDB: Largest compute 4820 load 0.028588 is 24.3% of average load 0.117672 LDB: Average compute 0.001738 is 1.5% of average load 0.117672 LDB: TIME 3559.37 LOAD: AVG 0.117672 MAX 0.176893 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.266 MB LDB: TIME 3559.37 LOAD: AVG 0.117672 MAX 0.176893 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.34 MB LDB: TIME 3559.37 LOAD: AVG 0.117672 MAX 0.176893 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.34 MB LDB: ============== END OF LOAD BALANCING =============== 3559.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3559.37 PRESSURE: 1224400 -109.496 112.269 -34.1612 112.269 -47.6175 30.8651 -34.1606 30.866 79.0454 GPRESSURE: 1224400 -129.831 94.7762 -43.0027 119.434 62.5851 65.3345 -1.90901 -11.3634 86.9563 PRESSAVG: 1224400 -10.7864 -42.2961 3.92941 -42.296 2.21998 -43.5655 3.92943 -43.5655 -32.0735 GPRESSAVG: 1224400 -10.3459 -41.3413 5.18542 -39.6007 2.145 -43.3416 3.52324 -42.6644 -32.7632 TIMING: 1224400 CPU: 3556.2, 0.00295126/step Wall: 3556.2, 0.00295126/step, 3.09521 hours remaining, 204.476562 MB of memory in use. ENERGY: 1224400 756.5946 2164.7704 1965.8993 110.8277 -205877.6174 17699.5617 0.0000 0.0000 34181.9698 -148997.9938 298.5196 -183179.9637 -148909.2035 299.4009 -26.0228 6.5702 557107.7194 -13.5466 -13.6547 PRESSURE: 1224600 177.697 59.1407 -50.3002 59.1406 -49.4121 -69.3626 -50.2992 -69.362 -128.735 GPRESSURE: 1224600 202.412 -9.04044 -37.0467 85.2247 -21.9537 -60.2684 -45.8287 -125.483 -81.8267 PRESSAVG: 1224600 23.8807 12.5662 31.1288 12.5662 -24.3098 -17.0906 31.1288 -17.0906 -2.07675 GPRESSAVG: 1224600 22.156 12.2076 30.7558 9.55238 -22.6405 -16.8634 28.7474 -17.3216 -2.42803 TIMING: 1224600 CPU: 3556.78, 0.00289617/step Wall: 3556.78, 0.00289617/step, 3.03728 hours remaining, 204.679688 MB of memory in use. ENERGY: 1224600 736.7003 2096.6439 1990.9089 115.3241 -206053.6082 17723.7643 0.0000 0.0000 34261.6498 -149128.6168 299.2155 -183390.2667 -149034.8483 299.7986 -0.1501 32.8771 556584.6121 -0.8353 -0.9709 PRESSURE: 1224800 -75.0767 164.067 -18.0061 164.065 -126.479 -10.3455 -18.0059 -10.3467 -200.311 GPRESSURE: 1224800 -11.6583 94.7943 0.887555 222.736 -117.483 -11.2339 30.9655 14.6152 -182.728 PRESSAVG: 1224800 42.4246 60.7879 -67.5023 60.7879 -8.45256 2.43845 -67.5024 2.43839 5.84582 GPRESSAVG: 1224800 44.6544 60.3529 -68.0367 60.956 -10.8417 2.5091 -65.8368 1.90199 6.04404 TIMING: 1224800 CPU: 3557.36, 0.00291516/step Wall: 3557.36, 0.00291516/step, 3.05703 hours remaining, 204.679688 MB of memory in use. ENERGY: 1224800 754.6214 2050.3415 1988.1904 117.3926 -205834.9121 17535.8173 0.0000 0.0000 34080.7750 -149307.7739 297.6359 -183388.5489 -149211.8296 298.5228 -133.9554 -103.9564 556124.7516 13.2726 13.2856 PRESSURE: 1225000 -81.04 -17.346 -115.961 -17.3455 -101.938 -212.038 -115.96 -212.039 44.4756 GPRESSURE: 1225000 -133.554 -40.8045 -50.3174 -23.2 -1.81649 -141.487 -128.683 -216.342 99.5795 PRESSAVG: 1225000 -12.4141 63.058 -39.5798 63.058 -32.4917 -21.7117 -39.5798 -21.7118 19.414 GPRESSAVG: 1225000 -12.859 63.4987 -39.3936 61.0875 -32.0939 -19.99 -40.6777 -23.5351 19.5088 TIMING: 1225000 CPU: 3557.94, 0.00290078/step Wall: 3557.94, 0.00290078/step, 3.04179 hours remaining, 204.679688 MB of memory in use. ENERGY: 1225000 764.7975 2081.3328 2011.7251 86.1810 -205764.9824 17609.7988 0.0000 0.0000 34064.3235 -149146.8235 297.4922 -183211.1471 -149053.7836 298.8415 -46.1674 -11.9303 557758.1704 -8.4973 -8.4814 PRESSURE: 1225200 82.6139 -183.031 -6.05828 -183.031 120.243 107.141 -6.05735 107.141 -48.0337 GPRESSURE: 1225200 101.804 -265.764 64.4262 -126.513 167.151 54.8726 2.96071 142.633 -12.2848 PRESSAVG: 1225200 -32.0602 51.7849 37.287 51.7849 -8.0792 -12.1083 37.287 -12.1083 42.0928 GPRESSAVG: 1225200 -31.9611 51.8955 38.7402 54.6327 -7.38537 -12.7505 37.1182 -9.50292 41.2805 TIMING: 1225200 CPU: 3558.52, 0.00289877/step Wall: 3558.52, 0.00289877/step, 3.03952 hours remaining, 204.679688 MB of memory in use. ENERGY: 1225200 755.5888 2094.8192 1921.7754 107.1736 -206088.4928 17869.5607 0.0000 0.0000 34095.3071 -149244.2679 297.7628 -183339.5750 -149146.0150 298.8864 51.6078 85.5567 558003.3020 0.6511 0.6447 PRESSURE: 1225400 78.7829 88.9167 168.058 88.9178 -112.22 -255.592 168.06 -255.593 -386.48 GPRESSURE: 1225400 59.8789 59.3046 121.616 116.15 -107.347 -224.127 244.308 -298.169 -283.67 PRESSAVG: 1225400 64.627 18.6044 8.556 18.6044 -13.1703 36.0283 8.556 36.0282 -1.58445 GPRESSAVG: 1225400 63.4452 17.8126 8.32491 17.9779 -12.2071 37.6639 8.51192 34.1637 -1.28148 TIMING: 1225400 CPU: 3559.1, 0.00289207/step Wall: 3559.1, 0.00289207/step, 3.03233 hours remaining, 204.679688 MB of memory in use. ENERGY: 1225400 757.5817 2090.7080 1997.1148 116.0551 -206004.0625 17614.0753 0.0000 0.0000 34362.0124 -149066.5152 300.0920 -183428.5276 -148970.1311 299.5089 -139.9721 -110.3794 557738.7073 16.6241 16.6522 PRESSURE: 1225600 -222.547 45.1227 45.2708 45.1227 -165.619 -154.272 45.2696 -154.273 93.1343 GPRESSURE: 1225600 -227.341 38.6437 78.3917 18.7525 -109.221 -150.788 25.1661 -187.999 134.43 PRESSAVG: 1225600 32.1724 66.0361 25.7444 66.0361 -66.3455 -59.0127 25.7445 -59.0128 -16.4132 GPRESSAVG: 1225600 32.5087 67.2855 24.7373 65.6974 -66.9906 -60.9521 25.1539 -57.0519 -16.1392 TIMING: 1225600 CPU: 3559.67, 0.002879/step Wall: 3559.67, 0.002879/step, 3.01847 hours remaining, 204.679688 MB of memory in use. ENERGY: 1225600 751.2390 2148.0228 1981.0504 99.8649 -205827.1131 17420.6637 0.0000 0.0000 34329.9599 -149096.3122 299.8121 -183426.2721 -148998.6406 299.6827 -98.3437 -67.3777 555679.1548 -16.8621 -16.8737 PRESSURE: 1225800 -193.471 -59.5574 181.515 -59.5567 -315.095 27.279 181.515 27.2779 -10.8557 GPRESSURE: 1225800 -101.092 59.4795 173.579 -113.803 -278.119 -32.9943 105.401 -52.1147 -40.7048 PRESSAVG: 1225800 -10.0283 -24.9561 13.5875 -24.9561 7.23816 -28.7342 13.5875 -28.7342 9.36713 GPRESSAVG: 1225800 -10.2106 -26.2015 12.6527 -23.0293 6.76249 -29.0764 14.6427 -30.812 9.97018 TIMING: 1225800 CPU: 3560.25, 0.00288078/step Wall: 3560.25, 0.00288078/step, 3.02018 hours remaining, 204.679688 MB of memory in use. ENERGY: 1225800 755.0476 2044.4340 1973.0970 119.1305 -205664.6317 17509.7775 0.0000 0.0000 34222.5553 -149040.5899 298.8741 -183263.1453 -148944.9892 299.7607 -173.1406 -139.9718 557714.4578 2.1923 2.1740 PRESSURE: 1226000 204.559 34.5297 -142.572 34.53 -74.4318 16.8913 -142.573 16.8916 21.3 GPRESSURE: 1226000 246.988 -18.204 -58.0697 44.9386 24.2035 -27.301 -95.7302 45.2716 -20.2482 PRESSAVG: 1226000 33.5918 11.9868 0.239876 11.9868 -61.617 0.679348 0.239883 0.679276 15.4458 GPRESSAVG: 1226000 33.9433 13.8157 1.27553 10.9667 -62.0013 1.83419 0.0974933 0.843592 15.5372 TIMING: 1226000 CPU: 3560.82, 0.00287772/step Wall: 3560.82, 0.00287772/step, 3.01681 hours remaining, 204.679688 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: 1226000 750.2891 2156.5419 1933.9496 107.2378 -206002.3355 17863.0777 0.0000 0.0000 34199.1873 -148992.0520 298.6700 -183191.2393 -148890.6483 298.6687 50.4757 83.6478 556857.1499 -4.1931 -4.1736 PRESSURE: 1226200 -59.4776 16.3589 -100.739 16.3586 34.9554 -87.1592 -100.74 -87.1604 22.571 GPRESSURE: 1226200 3.01819 -20.6666 -56.2101 -0.567343 11.2979 -136.411 -113.996 44.5741 90.2519 PRESSAVG: 1226200 -22.2499 30.9694 9.91525 30.9692 -23.6314 -49.8393 9.91517 -49.8393 51.6247 GPRESSAVG: 1226200 -22.9337 30.1128 10.335 30.3717 -21.8065 -51.3091 8.40607 -48.7826 50.0243 TIMING: 1226200 CPU: 3561.4, 0.00287271/step Wall: 3561.4, 0.00287271/step, 3.0114 hours remaining, 204.679688 MB of memory in use. ENERGY: 1226200 759.2043 2087.2006 1965.7888 110.8852 -206169.1535 17883.7007 0.0000 0.0000 34244.7895 -149117.5844 299.0683 -183362.3739 -149025.5516 299.4653 -0.6504 34.8560 557370.0277 1.9144 1.7614 PRESSURE: 1226400 22.2468 27.4203 -95.2239 27.4202 -200.172 -127.069 -95.2233 -127.07 -135.515 GPRESSURE: 1226400 54.6095 35.1233 -13.3841 43.1809 -175.07 -96.9438 -121.087 -198.674 -94.1967 PRESSAVG: 1226400 38.0059 -14.3651 27.8918 -14.3651 -21.3551 -40.8258 27.892 -40.8259 -10.8814 GPRESSAVG: 1226400 37.3423 -16.0354 26.747 -13.7061 -22.0672 -40.3367 28.4458 -40.2191 -9.72079 TIMING: 1226400 CPU: 3561.98, 0.00288889/step Wall: 3561.98, 0.00288889/step, 3.02819 hours remaining, 204.679688 MB of memory in use. ENERGY: 1226400 747.9074 2137.1155 1977.6086 109.5481 -206307.7268 17781.5318 0.0000 0.0000 34445.3161 -149108.6992 300.8195 -183554.0153 -149012.9551 300.1890 -104.4800 -71.5522 557873.9925 1.9231 1.8514 PRESSURE: 1226600 -95.9631 38.372 19.169 38.3717 -13.0602 62.4839 19.1693 62.486 245.048 GPRESSURE: 1226600 -94.6954 6.69742 -48.1064 142.966 47.0117 86.0112 -18.2005 33.0229 262.936 PRESSAVG: 1226600 -3.49152 -38.3214 31.843 -38.3214 -55.883 21.4357 31.843 21.4357 62.9866 GPRESSAVG: 1226600 -2.25608 -38.0572 30.5576 -38.6573 -56.1158 20.9059 33.8348 21.6881 62.0845 TIMING: 1226600 CPU: 3562.55, 0.00288321/step Wall: 3562.55, 0.00288321/step, 3.02208 hours remaining, 204.679688 MB of memory in use. ENERGY: 1226600 703.1848 2089.0976 1959.5750 106.9516 -206410.8819 17807.4652 0.0000 0.0000 34232.7980 -149511.8097 298.9635 -183744.6078 -149420.5874 298.8790 45.3415 71.7509 557360.1130 1.2040 1.2375 PRESSURE: 1226800 -137.421 83.037 21.2765 83.0364 49.7145 -116.047 21.2781 -116.046 -75.9356 GPRESSURE: 1226800 -63.7968 69.6853 44.9721 109.103 15.5317 -183.054 -16.7795 -92.4529 -37.927 PRESSAVG: 1226800 0.579993 26.7031 -37.4777 26.7031 -11.672 -5.19823 -37.4777 -5.19829 48.48 GPRESSAVG: 1226800 0.332971 29.3763 -34.9165 24.6872 -11.1671 -5.3682 -38.0131 -4.65943 48.679 TIMING: 1226800 CPU: 3563.13, 0.00287132/step Wall: 3563.13, 0.00287132/step, 3.00947 hours remaining, 204.679688 MB of memory in use. ENERGY: 1226800 779.3775 2085.9194 1966.0203 113.8526 -206393.5174 18006.6669 0.0000 0.0000 34134.7447 -149306.9360 298.1072 -183441.6807 -149213.6804 298.9607 -54.5475 -28.7307 557311.2642 12.4627 12.6150 PRESSURE: 1227000 78.1442 17.4515 -141.085 17.4526 -81.4566 130.023 -141.085 130.025 -288.561 GPRESSURE: 1227000 47.8711 54.3233 -90.1171 -95.5612 -33.5875 149.227 -114.236 48.7908 -214.131 PRESSAVG: 1227000 -13.1272 -2.56723 18.3584 -2.56721 2.16252 -3.69923 18.3583 -3.69933 5.54442 GPRESSAVG: 1227000 -12.5803 -5.35023 16.0742 -1.15039 1.28289 -2.30417 17.5691 -6.86263 6.26151 TIMING: 1227000 CPU: 3563.71, 0.00289543/step Wall: 3563.71, 0.00289543/step, 3.03458 hours remaining, 204.679688 MB of memory in use. ENERGY: 1227000 736.2846 2038.6213 1964.8485 116.1997 -205996.4010 17564.2010 0.0000 0.0000 34390.6317 -149185.6141 300.3419 -183576.2458 -149086.9440 299.1617 -97.2911 -66.6159 556743.0224 -1.8067 -1.6786 PRESSURE: 1227200 -74.9879 -163.806 -33.6719 -163.806 -45.561 7.03878 -33.6725 7.03963 -11.1689 GPRESSURE: 1227200 -42.4276 -123.277 -0.323066 -146.496 4.31429 -31.9427 -33.6236 30.4706 -10.5632 PRESSAVG: 1227200 -44.3572 -21.0631 -29.0199 -21.063 -16.6376 -1.5368 -29.0199 -1.53694 45.5918 GPRESSAVG: 1227200 -44.3444 -20.2556 -24.8453 -20.5138 -14.8578 -2.89226 -32.0173 1.87216 44.4216 TIMING: 1227200 CPU: 3564.29, 0.00289996/step Wall: 3564.29, 0.00289996/step, 3.03916 hours remaining, 204.679688 MB of memory in use. ENERGY: 1227200 718.5787 2038.2321 1990.3259 108.4960 -206011.8272 17645.5720 0.0000 0.0000 34233.8423 -149276.7802 298.9727 -183510.6226 -149178.0339 299.9442 -43.9059 -16.2255 556455.7846 -5.1343 -4.9269 PRESSURE: 1227400 -71.843 -126.944 -11.778 -126.945 -229.353 -7.47659 -11.7785 -7.47716 -22.7984 GPRESSURE: 1227400 -21.1592 -91.5412 -16.7942 4.37702 -183.16 -5.49733 27.6068 -3.55187 -15.8501 PRESSAVG: 1227400 25.4665 -32.4284 -11.0294 -32.4283 10.0451 13.7555 -11.0294 13.7554 -40.4239 GPRESSAVG: 1227400 26.7276 -30.8428 -13.2547 -32.0405 8.55786 13.0847 -8.97362 12.3651 -39.6691 TIMING: 1227400 CPU: 3564.87, 0.00291776/step Wall: 3564.87, 0.00291776/step, 3.05765 hours remaining, 204.679688 MB of memory in use. ENERGY: 1227400 749.9122 2093.1573 1969.2568 104.5133 -205728.7617 17528.7874 0.0000 0.0000 33975.8562 -149307.2786 296.7196 -183283.1347 -149212.9959 298.7849 -107.9983 -73.3897 557278.2971 -1.6374 -1.4612 PRESSURE: 1227600 -95.5513 -76.3182 -1.10857 -76.319 195.724 -89.3505 -1.10748 -89.3482 47.2161 GPRESSURE: 1227600 -32.3916 -134.128 16.2295 23.753 195.973 -67.2826 38.7252 -4.30515 64.5239 PRESSAVG: 1227600 -0.147997 -54.4675 37.4801 -54.4676 26.1196 15.3754 37.4801 15.3754 -13.1586 GPRESSAVG: 1227600 -1.14517 -56.3532 37.8086 -54.2103 26.843 18.0692 37.7925 14.9285 -12.5205 TIMING: 1227600 CPU: 3565.45, 0.0028951/step Wall: 3565.45, 0.0028951/step, 3.03374 hours remaining, 204.679688 MB of memory in use. ENERGY: 1227600 785.4089 2042.4275 1934.0299 104.3655 -206323.7969 17968.8178 0.0000 0.0000 34168.1799 -149320.5674 298.3992 -183488.7473 -149228.1738 298.3287 49.1297 76.0351 557200.2324 4.2710 4.3924 PRESSURE: 1227800 332.649 31.455 -149.84 31.4547 55.1822 55.5854 -149.839 55.5857 120.123 GPRESSURE: 1227800 340.575 -30.1767 -177.34 38.3518 112.797 64.1492 -197.996 -12.986 158.347 PRESSAVG: 1227800 -35.6168 -11.342 4.15969 -11.3421 25.3611 -69.7095 4.15962 -69.7094 20.7346 GPRESSAVG: 1227800 -36.0136 -10.3842 5.83034 -11.3307 24.8556 -69.1605 2.08505 -68.2711 21.3003 TIMING: 1227800 CPU: 3566.03, 0.00289455/step Wall: 3566.03, 0.00289455/step, 3.03301 hours remaining, 204.816406 MB of memory in use. ENERGY: 1227800 739.3045 2096.9806 1961.8721 110.4337 -206536.4653 18196.2734 0.0000 0.0000 34379.6264 -149051.9745 300.2458 -183431.6009 -148956.3792 298.3238 169.3183 203.9062 556701.2664 3.4929 3.3807 PRESSURE: 1228000 106.678 44.6536 78.4533 44.6528 14.1151 126.933 78.4545 126.933 134.976 GPRESSURE: 1228000 125.892 -24.8929 123.974 82.9641 62.3016 187.366 85.6829 157.613 167.357 PRESSAVG: 1228000 -2.62423 -30.4138 -20.1323 -30.4137 15.144 2.89973 -20.1323 2.89981 -16.4335 GPRESSAVG: 1228000 -2.01019 -30.0887 -21.7194 -32.4493 15.6995 1.66598 -17.4665 3.10072 -17.5791 TIMING: 1228000 CPU: 3566.6, 0.0028716/step Wall: 3566.6, 0.0028716/step, 3.0088 hours remaining, 204.816406 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: 1228000 748.9596 2080.7341 1940.9476 110.4368 -206244.7667 18041.5931 0.0000 0.0000 34316.2958 -149005.7997 299.6927 -183322.0956 -148907.1772 299.4614 85.2564 118.5171 558584.6091 -1.3046 -1.2966 PRESSURE: 1228200 -78.5329 47.2977 139.995 47.2966 -165.353 143.05 139.996 143.049 -324.71 GPRESSURE: 1228200 -26.8133 82.9756 102.674 -8.38463 -137.581 86.7096 167.513 86.4975 -306.012 PRESSAVG: 1228200 -16.3857 -29.2963 15.0677 -29.2962 -8.79003 81.062 15.0677 81.062 -9.93775 GPRESSAVG: 1228200 -16.3101 -28.5514 16.0912 -30.5693 -8.33198 79.7927 14.8753 79.6972 -10.245 TIMING: 1228200 CPU: 3567.18, 0.00289417/step Wall: 3567.18, 0.00289417/step, 3.03228 hours remaining, 204.816406 MB of memory in use. ENERGY: 1228200 790.2120 2067.0280 1972.1233 103.3799 -205775.2549 17639.9715 0.0000 0.0000 34276.7000 -148925.8402 299.3469 -183202.5401 -148831.6305 299.7121 -189.5321 -156.8024 559701.6394 -11.7045 -11.6290 LDB: ============= START OF LOAD BALANCING ============== 3570.65 LDB: ============== END OF LOAD BALANCING =============== 3570.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3570.65 LDB: ============= START OF LOAD BALANCING ============== 3570.94 LDB: Largest compute 4820 load 0.028332 is 24.1% of average load 0.117532 LDB: Average compute 0.001735 is 1.5% of average load 0.117532 LDB: TIME 3570.94 LOAD: AVG 0.117532 MAX 0.178408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.344 MB LDB: TIME 3570.94 LOAD: AVG 0.117532 MAX 0.178408 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.562 MB LDB: TIME 3570.94 LOAD: AVG 0.117532 MAX 0.178408 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3570.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3570.95 PRESSURE: 1228400 148.756 -1.50667 34.8617 -1.50616 92.6834 20.5545 34.8619 20.5543 24.8101 GPRESSURE: 1228400 216.198 48.3282 69.0677 -61.672 87.262 47.7044 45.9083 49.7819 58.565 PRESSAVG: 1228400 -42.1615 -29.6531 23.83 -29.653 14.9823 -35.0512 23.83 -35.0512 6.00696 GPRESSAVG: 1228400 -41.0891 -31.0532 23.1196 -26.8812 13.5299 -35.3233 22.3564 -34.3565 6.32628 TIMING: 1228400 CPU: 3567.77, 0.00294907/step Wall: 3567.77, 0.00294907/step, 3.08964 hours remaining, 203.718750 MB of memory in use. ENERGY: 1228400 742.9634 2057.2076 1988.2669 112.5482 -206155.3451 17929.3978 0.0000 0.0000 34270.0336 -149054.9277 299.2887 -183324.9612 -148959.7635 299.1671 88.7497 120.6751 558294.0896 -7.0574 -7.0777 PRESSURE: 1228600 99.7987 72.3668 -13.304 72.367 114.3 -68.8239 -13.3047 -68.8236 -335.679 GPRESSURE: 1228600 120.696 99.7507 26.0868 85.2773 188.652 -48.9542 -93.9199 69.1697 -337.928 PRESSAVG: 1228600 33.6805 -31.568 21.0138 -31.5679 28.0714 -13.1162 21.0138 -13.1163 -33.986 GPRESSAVG: 1228600 32.9208 -30.9546 21.2593 -32.0702 29.2044 -10.5927 22.4486 -14.5735 -33.8701 TIMING: 1228600 CPU: 3568.35, 0.00288594/step Wall: 3568.35, 0.00288594/step, 3.02334 hours remaining, 203.718750 MB of memory in use. ENERGY: 1228600 776.6300 2110.7602 1976.3555 123.0488 -206320.3627 17842.3325 0.0000 0.0000 34296.7522 -149194.4834 299.5221 -183491.2356 -149097.9575 299.6538 -40.5267 -9.5268 558538.3604 9.2553 9.4184 PRESSURE: 1228800 0.814089 -58.1794 247.626 -58.1795 84.5184 141.276 247.626 141.275 205.804 GPRESSURE: 1228800 58.1184 -212.768 182.43 -23.1983 103.154 161.399 257.926 120.5 233.434 PRESSAVG: 1228800 52.249 -38.1199 65.1283 -38.1197 -7.97883 -23.6541 65.1285 -23.6541 -29.0583 GPRESSAVG: 1228800 52.5648 -38.6369 66.001 -38.201 -8.9852 -24.5863 63.4385 -22.6008 -28.7926 TIMING: 1228800 CPU: 3568.92, 0.00286191/step Wall: 3568.92, 0.0028619/step, 2.998 hours remaining, 203.910156 MB of memory in use. ENERGY: 1228800 730.9741 2160.8141 1944.4957 119.2467 -206416.9613 17925.8437 0.0000 0.0000 34369.1387 -149166.4484 300.1542 -183535.5871 -149072.9725 299.6479 97.0454 131.5690 557067.7696 5.0706 4.9290 PRESSURE: 1229000 -104.178 175.451 28.174 175.451 -162.755 -7.51948 28.1734 -7.5179 158.655 GPRESSURE: 1229000 -119.248 114.134 13.7456 197.836 -47.3121 -41.0989 66.5631 -1.58683 144.491 PRESSAVG: 1229000 46.6373 -70.4018 53.8886 -70.4018 -5.79958 -24.0545 53.8887 -24.0544 -54.612 GPRESSAVG: 1229000 45.3168 -72.3417 52.9588 -70.875 -4.83671 -25.5696 56.2937 -24.1146 -54.7317 TIMING: 1229000 CPU: 3569.5, 0.00289076/step Wall: 3569.5, 0.00289076/step, 3.02807 hours remaining, 203.910156 MB of memory in use. ENERGY: 1229000 731.5744 2102.7771 1982.3879 118.2366 -206336.1542 17878.2898 0.0000 0.0000 34373.7398 -149149.1487 300.1944 -183522.8885 -149052.7041 299.6287 -36.0925 -7.3563 559209.3447 -4.5914 -4.7505 PRESSURE: 1229200 -128.014 -14.6844 21.6282 -14.6839 128.441 59.8446 21.628 59.8431 -56.2327 GPRESSURE: 1229200 -190.559 -56.0778 27.5348 -20.6686 179.902 45.7879 21.0193 53.8181 40.7261 PRESSAVG: 1229200 -40.3352 4.18614 -36.8543 4.18625 4.40774 1.62275 -36.8543 1.62259 8.59423 GPRESSAVG: 1229200 -39.8317 5.97906 -35.7368 5.84493 4.97054 2.53882 -38.6914 1.81887 7.88488 TIMING: 1229200 CPU: 3570.08, 0.00288863/step Wall: 3570.08, 0.00288863/step, 3.02568 hours remaining, 203.910156 MB of memory in use. ENERGY: 1229200 746.5694 2082.8395 1951.7849 116.3122 -206311.4120 17878.6633 0.0000 0.0000 34164.9835 -149370.2593 298.3713 -183535.2429 -149272.7226 299.2899 -18.6020 10.0230 556481.2954 -9.1111 -8.9921 PRESSURE: 1229400 -259.397 24.6093 12.0873 24.6096 -544.8 -101.203 12.0879 -101.203 -241.68 GPRESSURE: 1229400 -215.78 5.50548 -24.6137 50.4142 -520.815 -39.1218 34.9115 -35.2727 -208.204 PRESSAVG: 1229400 16.6726 18.7221 -25.5049 18.7221 -36.8442 14.806 -25.5048 14.806 -24.8984 GPRESSAVG: 1229400 16.4095 16.8557 -28.3274 17.9461 -38.0636 15.3902 -22.7708 15.0979 -23.217 TIMING: 1229400 CPU: 3570.65, 0.00286716/step Wall: 3570.65, 0.00286715/step, 3.00303 hours remaining, 203.910156 MB of memory in use. ENERGY: 1229400 766.3803 2153.4743 1962.4491 101.2691 -205999.9414 17477.7577 0.0000 0.0000 33969.9815 -149568.6294 296.6683 -183538.6109 -149474.5319 298.2512 -348.6256 -314.9331 557301.3145 -15.0233 -14.9570 PRESSURE: 1229600 -5.65611 -80.3128 22.2719 -80.3138 -28.3761 -19.697 22.2721 -19.697 -132.824 GPRESSURE: 1229600 -62.159 -89.8635 90.6463 -106.594 43.5056 -35.7013 6.60823 -24.1565 -64.5096 PRESSAVG: 1229600 -4.13574 -0.54256 -10.325 -0.542448 -39.6239 27.993 -10.325 27.9929 33.8862 GPRESSAVG: 1229600 -3.99548 1.37527 -8.52566 -2.76553 -38.3811 27.8412 -13.2454 26.3123 32.6308 TIMING: 1229600 CPU: 3571.23, 0.00289641/step Wall: 3571.23, 0.00289641/step, 3.03351 hours remaining, 203.910156 MB of memory in use. ENERGY: 1229600 770.8386 2117.8060 1979.3892 110.4020 -206284.2264 17588.9674 0.0000 0.0000 34178.3869 -149538.4363 298.4884 -183716.8232 -149441.5794 298.0695 -55.6187 -27.7210 557331.2065 -3.2911 -3.2486 PRESSURE: 1229800 -497.096 -165.807 80.4169 -165.806 -196.461 -146.543 80.4171 -146.543 -287.124 GPRESSURE: 1229800 -442.331 -204.907 29.8617 -71.996 -210.852 -206.008 157.075 -115.727 -249.776 PRESSAVG: 1229800 10.6986 -3.69743 -7.31649 -3.69748 42.2924 14.5538 -7.31645 14.5539 1.35181 GPRESSAVG: 1229800 11.479 -3.67748 -8.63381 -1.87557 42.201 12.5557 -5.95071 16.8279 0.649232 TIMING: 1229800 CPU: 3571.81, 0.00289185/step Wall: 3571.81, 0.00289185/step, 3.02857 hours remaining, 203.910156 MB of memory in use. ENERGY: 1229800 739.3175 2068.3382 1941.0932 114.7968 -205876.7662 17339.9189 0.0000 0.0000 34163.7755 -149509.5260 298.3607 -183673.3015 -149406.5856 298.2529 -326.8935 -300.9862 559411.9782 18.1143 18.1097 PRESSURE: 1230000 163.943 161.004 -81.9242 161.003 338.355 -11.7983 -81.9259 -11.7987 9.38819 GPRESSURE: 1230000 217.866 195.07 -3.01999 117.472 413.938 74.7572 -121.347 -95.7599 -18.046 PRESSAVG: 1230000 -4.11264 21.4701 4.98652 21.47 75.0565 -19.2338 4.98657 -19.2338 -9.73281 GPRESSAVG: 1230000 -4.57663 20.5894 6.91733 21.2163 74.3936 -18.638 2.44279 -18.967 -8.51962 TIMING: 1230000 CPU: 3572.39, 0.00289062/step Wall: 3572.39, 0.00289062/step, 3.02712 hours remaining, 203.910156 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: 1230000 727.2837 2137.9516 1966.2261 115.2944 -206728.0608 18062.0754 0.0000 0.0000 34189.2966 -149529.9330 298.5836 -183719.2296 -149432.8871 298.7312 170.5621 204.5861 555591.8745 20.4037 20.4324 PRESSURE: 1230200 -200.439 123.868 -64.5708 123.868 121.923 -3.27567 -64.5709 -3.27433 58.0239 GPRESSURE: 1230200 -162.408 170.408 -16.5392 -38.89 98.5564 -29.9987 -4.98605 51.7184 143.431 PRESSAVG: 1230200 -43.8677 18.5007 -10.821 18.5006 16.2367 -1.77814 -10.821 -1.77813 -4.03701 GPRESSAVG: 1230200 -43.846 17.8646 -11.9164 20.7798 17.5142 1.01991 -10.36 -3.36361 -5.65446 TIMING: 1230200 CPU: 3572.97, 0.00292664/step Wall: 3572.97, 0.00292664/step, 3.06468 hours remaining, 203.910156 MB of memory in use. ENERGY: 1230200 745.6108 2080.1980 2003.9923 110.2385 -206605.3074 17946.8494 0.0000 0.0000 34151.8913 -149566.5270 298.2570 -183718.4183 -149469.9830 298.4867 -6.8307 26.5264 556047.3977 -10.5560 -10.6621 PRESSURE: 1230400 -271.119 82.8554 -104.505 82.8556 138.807 58.352 -104.506 58.3511 72.6377 GPRESSURE: 1230400 -241.978 18.5799 -171.696 137.675 157.248 91.8194 -156.549 93.6075 120.525 PRESSAVG: 1230400 -13.4485 -10.5456 -25.3974 -10.5456 -39.5532 -33.3905 -25.3975 -33.3904 67.1445 GPRESSAVG: 1230400 -14.1723 -11.1844 -26.6418 -10.8871 -40.5273 -37.268 -22.4524 -31.08 68.2536 TIMING: 1230400 CPU: 3573.55, 0.00290767/step Wall: 3573.55, 0.00290767/step, 3.04465 hours remaining, 204.117188 MB of memory in use. ENERGY: 1230400 714.3540 2096.5658 1938.3575 110.8390 -206212.5003 17576.5965 0.0000 0.0000 34290.2679 -149485.5196 299.4654 -183775.7876 -149385.1155 298.7099 -19.8916 11.9319 555937.7422 4.7143 4.5180 PRESSURE: 1230600 97.8173 39.1121 -60.7577 39.1116 -285.044 -69.7931 -60.7572 -69.794 131.425 GPRESSURE: 1230600 110.676 49.5754 -48.4221 87.5193 -233.184 -58.3578 -74.7753 -66.8115 174.456 PRESSAVG: 1230600 45.1631 -44.6158 7.24388 -44.6158 -72.1395 -1.92144 7.24392 -1.92135 51.3172 GPRESSAVG: 1230600 46.0608 -44.4129 7.58445 -44.2348 -72.4359 -0.256178 6.3349 -3.54514 50.9992 TIMING: 1230600 CPU: 3574.13, 0.0028915/step Wall: 3574.13, 0.0028915/step, 3.02756 hours remaining, 204.117188 MB of memory in use. ENERGY: 1230600 750.5790 2130.9057 1960.0863 112.8136 -206375.3653 17867.2398 0.0000 0.0000 34285.1282 -149268.6128 299.4206 -183553.7410 -149172.3912 298.9230 -18.6006 17.3159 558176.5250 8.1136 8.2080 PRESSURE: 1230800 223.048 -78.7853 13.2796 -78.7851 -141.267 -111.31 13.2802 -111.312 15.5409 GPRESSURE: 1230800 246.28 -60.7909 62.772 -131.375 -136.361 -113.741 -22.7271 -71.4348 90.9112 PRESSAVG: 1230800 32.9513 -114.499 32.6823 -114.499 -69.7006 -5.93004 32.6823 -5.93005 8.51339 GPRESSAVG: 1230800 30.9638 -114.86 33.6301 -114.322 -68.3681 -5.66228 34.556 -6.10507 8.81766 TIMING: 1230800 CPU: 3574.71, 0.0029022/step Wall: 3574.71, 0.0029022/step, 3.0386 hours remaining, 204.175781 MB of memory in use. ENERGY: 1230800 719.6650 2120.9301 1947.8272 124.9110 -206236.4454 17891.7639 0.0000 0.0000 34032.5438 -149398.8045 297.2147 -183431.3483 -149307.3417 298.7489 32.4407 66.9433 556612.9610 -9.4120 -9.5289 PRESSURE: 1231000 111.086 106.249 -31.1276 106.249 152.379 118.188 -31.1268 118.187 290.689 GPRESSURE: 1231000 206.511 112.237 38.2371 77.106 176.43 179.022 -140.704 46.513 278.719 PRESSAVG: 1231000 -75.1682 12.895 -14.9752 12.895 -22.103 7.35016 -14.9751 7.35019 92.9714 GPRESSAVG: 1231000 -74.7127 14.6905 -16.2661 11.134 -22.3027 7.11776 -16.4824 8.71107 92.2278 TIMING: 1231000 CPU: 3575.29, 0.00290348/step Wall: 3575.29, 0.00290348/step, 3.03978 hours remaining, 204.175781 MB of memory in use. ENERGY: 1231000 728.6397 2128.1705 1938.9554 106.6181 -206686.1482 18058.1416 0.0000 0.0000 34288.0353 -149437.5877 299.4459 -183725.6230 -149341.9311 298.4136 184.7179 220.5534 555619.9558 -1.4333 -1.5959 PRESSURE: 1231200 -247.657 -65.7499 35.8213 -65.7514 42.7682 18.4612 35.8211 18.4607 -373.421 GPRESSURE: 1231200 -232.655 -21.0037 -27.4693 -60.3197 73.961 16.1501 128.549 -15.0002 -333.713 PRESSAVG: 1231200 30.886 36.6634 -19.3924 36.6635 -61.2016 23.5532 -19.3924 23.5532 6.14661 GPRESSAVG: 1231200 29.4149 35.3307 -16.1759 38.0199 -60.3558 22.9513 -19.4279 22.4688 5.96171 TIMING: 1231200 CPU: 3575.87, 0.00289622/step Wall: 3575.87, 0.00289622/step, 3.03202 hours remaining, 204.175781 MB of memory in use. ENERGY: 1231200 755.5413 2076.0035 1953.5431 125.4889 -206200.0457 17459.1991 0.0000 0.0000 34190.3479 -149639.9218 298.5928 -183830.2697 -149540.5340 298.5309 -192.7699 -164.1356 556004.6978 -8.0564 -8.3264 PRESSURE: 1231400 13.2897 119.393 -122.982 119.393 67.4132 54.4533 -122.982 54.4533 148.145 GPRESSURE: 1231400 14.2276 106.386 -94.4363 82.8851 106.707 53.7947 -80.5932 -26.0188 212.423 PRESSAVG: 1231400 24.5191 64.2567 -3.30772 64.2569 11.5422 -2.43183 -3.30788 -2.43194 -12.3039 GPRESSAVG: 1231400 24.6368 65.2533 -6.79262 63.8002 11.3449 -3.7558 -1.91917 -1.17893 -12.3884 TIMING: 1231400 CPU: 3576.45, 0.00291367/step Wall: 3576.45, 0.00291367/step, 3.05013 hours remaining, 204.175781 MB of memory in use. ENERGY: 1231400 747.9873 2021.8182 1932.8928 120.3961 -206248.5111 17708.6268 0.0000 0.0000 34146.9129 -149569.8770 298.2135 -183716.7899 -149462.5869 298.5017 76.2828 111.1194 557407.6230 7.9191 7.8644 PRESSURE: 1231600 -110.093 -86.382 -152.216 -86.3816 -74.7388 191.482 -152.216 191.481 -184.791 GPRESSURE: 1231600 -73.9222 45.5565 -140.776 -131.202 -76.3643 148.374 -144.605 200.449 -117.282 PRESSAVG: 1231600 -12.3257 -3.40536 -30.9631 -3.40527 35.2255 48.068 -30.9631 48.068 -28.2102 GPRESSAVG: 1231600 -12.4593 -3.16667 -30.233 -4.49773 34.4519 48.9962 -32.018 47.3947 -27.27 TIMING: 1231600 CPU: 3577.03, 0.0028956/step Wall: 3577.03, 0.0028956/step, 3.03105 hours remaining, 204.175781 MB of memory in use. ENERGY: 1231600 754.8729 2096.1498 1962.4585 126.4762 -206362.4268 17808.1203 0.0000 0.0000 34000.4629 -149613.8861 296.9345 -183614.3490 -149525.8718 297.9769 -123.2076 -89.1895 558135.5519 -1.7701 -1.7591 PRESSURE: 1231800 116.956 34.886 -167.103 34.886 225.717 23.0396 -167.104 23.0404 189.322 GPRESSURE: 1231800 115.321 42.1604 -183.035 40.712 303.171 119.106 -50.2946 -61.3393 204.994 PRESSAVG: 1231800 5.89391 -8.6818 -15.9568 -8.68187 20.4993 30.1861 -15.9566 30.1861 9.62145 GPRESSAVG: 1231800 6.45302 -7.95585 -16.182 -9.68828 20.3433 31.1679 -14.8354 30.9245 8.69321 TIMING: 1231800 CPU: 3577.61, 0.00290075/step Wall: 3577.61, 0.00290075/step, 3.03628 hours remaining, 204.175781 MB of memory in use. ENERGY: 1231800 743.0982 2053.1876 1958.7772 113.5586 -206981.2187 18276.5957 0.0000 0.0000 34257.5488 -149578.4526 299.1797 -183836.0014 -149480.1241 297.7533 177.3314 207.8284 557171.1393 12.0049 11.8299 PRESSURE: 1232000 -30.0678 -17.2153 4.99325 -17.2146 35.185 -103.218 4.99285 -103.217 -232.499 GPRESSURE: 1232000 -11.875 -0.0659807 -21.8513 -13.7332 104.925 -72.2517 -5.21833 -45.4859 -221.99 PRESSAVG: 1232000 14.2079 24.196 -23.5572 24.196 79.8144 10.5162 -23.5571 10.5161 -78.6716 GPRESSAVG: 1232000 13.4836 24.7171 -22.9745 24.279 80.4371 8.71966 -24.7925 9.85702 -78.58 TIMING: 1232000 CPU: 3578.19, 0.00289738/step Wall: 3578.19, 0.00289738/step, 3.03259 hours remaining, 204.175781 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: 1232000 758.0286 2093.9581 1942.8401 119.6253 -206158.4977 17625.8829 0.0000 0.0000 34027.2036 -149590.9590 297.1680 -183618.1627 -149508.5991 298.2994 -75.7940 -42.9800 557678.7882 5.1169 5.1136 PRESSURE: 1232200 -40.5714 69.3779 46.1356 69.3762 -215.516 -3.77769 46.1342 -3.77832 201.56 GPRESSURE: 1232200 -30.5952 137.901 64.1782 35.2266 -212.126 -6.82548 -4.48936 -106.394 281.003 PRESSAVG: 1232200 -72.1843 4.97113 60.0645 4.97103 14.8525 52.121 60.0644 52.1211 27.6685 GPRESSAVG: 1232200 -71.7167 5.68229 59.6626 7.17604 14.5695 55.417 60.5022 51.0362 27.0383 TIMING: 1232200 CPU: 3578.77, 0.00288783/step Wall: 3578.77, 0.00288783/step, 3.02244 hours remaining, 204.175781 MB of memory in use. ENERGY: 1232200 728.0749 2047.5345 1953.7198 119.6550 -206413.7595 17772.8058 0.0000 0.0000 34219.8913 -149572.0782 298.8508 -183791.9695 -149473.4129 298.5307 -18.1760 12.7607 556084.3827 -9.8878 -10.0363 LDB: ============= START OF LOAD BALANCING ============== 3582.24 LDB: ============== END OF LOAD BALANCING =============== 3582.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3582.24 LDB: ============= START OF LOAD BALANCING ============== 3582.53 LDB: Largest compute 4820 load 0.029025 is 24.7% of average load 0.117704 LDB: Average compute 0.001738 is 1.5% of average load 0.117704 LDB: TIME 3582.53 LOAD: AVG 0.117704 MAX 0.178388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.238 MB LDB: TIME 3582.53 LOAD: AVG 0.117704 MAX 0.178388 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.238 MB LDB: TIME 3582.53 LOAD: AVG 0.117704 MAX 0.178388 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.238 MB LDB: ============== END OF LOAD BALANCING =============== 3582.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3582.54 PRESSURE: 1232400 -58.9151 17.0122 -94.5155 17.0132 -160.05 18.1297 -94.5159 18.1275 118.278 GPRESSURE: 1232400 -37.4942 -6.14316 -54.086 -27.77 -106.415 106.034 -59.4317 17.4521 143.21 PRESSAVG: 1232400 34.0343 -47.0101 59.0707 -47.01 -31.9374 28.3399 59.0708 28.3399 17.3715 GPRESSAVG: 1232400 34.5831 -47.8449 59.0197 -46.9673 -32.2521 29.6364 59.3146 28.0857 17.2514 TIMING: 1232400 CPU: 3579.37, 0.00297068/step Wall: 3579.37, 0.00297068/step, 3.10898 hours remaining, 205.265625 MB of memory in use. ENERGY: 1232400 724.0606 2069.4886 1969.7526 117.8713 -206686.1880 17863.6504 0.0000 0.0000 34254.3287 -149687.0357 299.1516 -183941.3644 -149593.2893 297.9237 -33.5623 -0.2330 556029.1621 6.4895 6.5275 PRESSURE: 1232600 -16.8396 106.465 -189.717 106.465 -112.434 -85.0752 -189.716 -85.0766 -78.7225 GPRESSURE: 1232600 10.0205 5.29916 -254.321 120.425 -39.8753 -115.458 -160.361 -95.3104 -80.9846 PRESSAVG: 1232600 6.08955 -47.2897 -58.9881 -47.2896 25.3348 21.5006 -58.988 21.5006 -14.9832 GPRESSAVG: 1232600 7.36657 -50.0527 -59.1646 -46.1927 24.6649 19.3341 -60.0973 23.5664 -15.6824 TIMING: 1232600 CPU: 3579.95, 0.00291941/step Wall: 3579.95, 0.00291941/step, 3.05516 hours remaining, 205.468750 MB of memory in use. ENERGY: 1232600 752.3857 2108.2234 1941.4521 114.0989 -206454.0842 17693.5389 0.0000 0.0000 34249.4497 -149594.9354 299.1090 -183844.3851 -149495.3437 298.1099 -69.3321 -36.9465 556513.2944 5.4804 5.4497 PRESSURE: 1232800 -95.1997 -125.781 89.9378 -125.782 26.8195 -61.3898 89.9382 -61.3883 35.8658 GPRESSURE: 1232800 -56.691 -103.365 73.781 -140.188 28.6715 -102.863 104.409 -122.527 92.1162 PRESSAVG: 1232800 48.4793 10.2899 -12.7357 10.2899 -45.1989 -23.2652 -12.7357 -23.2653 3.00857 GPRESSAVG: 1232800 46.9689 13.4973 -10.7389 8.98393 -44.6491 -21.574 -11.8845 -25.2759 3.66807 TIMING: 1232800 CPU: 3580.53, 0.0029131/step Wall: 3580.53, 0.0029131/step, 3.04839 hours remaining, 205.535156 MB of memory in use. ENERGY: 1232800 725.2086 2114.3037 1945.2166 119.8519 -206590.1043 17941.9105 0.0000 0.0000 34147.1880 -149596.4251 298.2159 -183743.6131 -149495.1822 298.1856 -10.8381 21.3656 555921.6202 2.0963 1.9959 PRESSURE: 1233000 54.7234 12.6244 57.4623 12.6241 -209.927 121.746 57.4623 121.747 -288.28 GPRESSURE: 1233000 63.7952 78.4 4.97572 57.0774 -102.823 32.7943 143.565 88.091 -313.662 PRESSAVG: 1233000 -0.31697 -31.5466 -4.53476 -31.5467 12.3773 -39.4698 -4.53476 -39.4698 -48.9611 GPRESSAVG: 1233000 -0.936023 -32.5989 -4.1206 -28.9993 12.5402 -40.079 -4.00437 -38.795 -48.5963 TIMING: 1233000 CPU: 3581.11, 0.00290417/step Wall: 3581.11, 0.00290417/step, 3.03889 hours remaining, 205.535156 MB of memory in use. ENERGY: 1233000 780.6563 2059.9997 1965.5856 120.0332 -206321.8242 17854.5182 0.0000 0.0000 34151.8301 -149389.2009 298.2564 -183541.0310 -149288.0713 298.2280 -147.8277 -117.5633 557977.3950 -12.3002 -12.3307 PRESSURE: 1233200 -161.641 110.803 3.69021 110.803 -58.6087 104.161 3.69033 104.16 -29.1539 GPRESSURE: 1233200 -121.101 6.53673 -15.0069 141.846 -46.176 178.962 22.1717 112.662 1.13274 PRESSAVG: 1233200 5.92659 -2.06366 -7.18307 -2.06378 -5.79695 43.6474 -7.18299 43.6475 -2.44467 GPRESSAVG: 1233200 5.55358 -3.80903 -7.72459 -3.35086 -6.09658 42.5817 -8.93184 44.0143 -2.28884 TIMING: 1233200 CPU: 3581.69, 0.00289556/step Wall: 3581.69, 0.00289556/step, 3.02972 hours remaining, 205.535156 MB of memory in use. ENERGY: 1233200 790.9539 2107.6683 1968.6268 118.0571 -206276.6813 17840.2489 0.0000 0.0000 34249.0831 -149202.0430 299.1058 -183451.1261 -149109.7829 299.0214 -83.1345 -55.3813 558273.4788 -0.7717 -0.9439 PRESSURE: 1233400 22.1664 91.6171 51.3485 91.6182 -173.556 176.336 51.3481 176.338 24.3394 GPRESSURE: 1233400 85.4645 85.7988 26.7309 134.702 -102.389 156.86 -27.4782 155.327 -4.10544 PRESSAVG: 1233400 43.3075 8.84337 -18.7355 8.84336 -21.8528 -12.2499 -18.7355 -12.2499 14.1375 GPRESSAVG: 1233400 44.4522 11.7956 -18.4001 5.91425 -22.241 -12.6853 -18.6307 -9.79202 13.6912 TIMING: 1233400 CPU: 3582.27, 0.00289887/step Wall: 3582.27, 0.00289887/step, 3.03302 hours remaining, 205.535156 MB of memory in use. ENERGY: 1233400 753.1995 2091.4438 1982.2045 115.9474 -206057.6169 17668.9597 0.0000 0.0000 34288.4306 -149157.4314 299.4494 -183445.8620 -149062.0951 298.8345 -42.3500 -7.0098 557669.2458 11.8640 11.9675 PRESSURE: 1233600 108.882 25.1551 8.36204 25.1571 -226.285 30.1834 8.36204 30.1845 -200.806 GPRESSURE: 1233600 120.155 -9.47858 17.8167 -59.1729 -207.926 71.4882 21.9309 -20.4622 -121.992 PRESSAVG: 1233600 2.24428 14.5758 9.32882 14.5758 -48.8715 -8.5054 9.32888 -8.50541 9.28208 GPRESSAVG: 1233600 1.28466 13.7358 8.47088 15.7606 -49.3143 -6.44769 9.47929 -12.5114 10.527 TIMING: 1233600 CPU: 3582.85, 0.00289217/step Wall: 3582.85, 0.00289217/step, 3.02585 hours remaining, 205.535156 MB of memory in use. ENERGY: 1233600 794.5560 2101.2895 1937.4631 127.8512 -206065.6575 17821.2424 0.0000 0.0000 34214.0435 -149069.2117 298.7998 -183283.2552 -148971.2664 299.6339 -106.0694 -69.9209 557532.4247 -12.4484 -12.5009 PRESSURE: 1233800 -54.6587 26.4058 -26.0528 26.4067 124.36 35.8671 -26.0514 35.8653 -103.955 GPRESSURE: 1233800 -6.9684 29.141 -55.4069 42.0944 108.114 59.5188 81.0853 42.625 -36.6228 PRESSAVG: 1233800 5.39852 35.6248 -29.8018 35.6249 -1.60498 20.81 -29.8019 20.8101 -4.49738 GPRESSAVG: 1233800 5.8121 35.9892 -31.8889 34.8014 -3.06524 18.1336 -27.0955 23.9288 -3.18451 TIMING: 1233800 CPU: 3583.43, 0.00289918/step Wall: 3583.43, 0.00289918/step, 3.03302 hours remaining, 205.535156 MB of memory in use. ENERGY: 1233800 744.2325 2118.5585 1957.5823 123.7251 -206174.7543 17956.4035 0.0000 0.0000 34325.2090 -148949.0434 299.7706 -183274.2524 -148850.6629 299.9487 -11.4179 21.5075 557584.3185 -0.2346 -0.1459 PRESSURE: 1234000 277.042 -43.3127 35.2768 -43.3131 463.958 48.3674 35.2768 48.3682 135.578 GPRESSURE: 1234000 334.824 14.1712 13.7607 -61.576 512.687 -51.0517 161.311 92.6407 131.681 PRESSAVG: 1234000 8.29188 28.5408 35.9322 28.5407 33.5049 23.6961 35.9322 23.696 -41.3008 GPRESSAVG: 1234000 9.80389 26.5439 37.8918 31.3864 33.1936 23.3777 34.8368 23.2787 -42.7156 TIMING: 1234000 CPU: 3584.01, 0.00291388/step Wall: 3584.01, 0.00291388/step, 3.04824 hours remaining, 205.535156 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: 1234000 718.0913 2151.5963 1961.1477 112.1781 -206680.4743 18420.6019 0.0000 0.0000 34300.2391 -149016.6199 299.5525 -183316.8590 -148922.0208 300.0751 292.1929 326.3973 557681.7543 0.1653 0.0939 PRESSURE: 1234200 -34.526 86.5759 -11.9268 86.5773 -11.9846 33.8525 -11.9275 33.8517 60.3713 GPRESSURE: 1234200 19.366 75.1312 73.6812 108.95 -1.81526 3.79417 -117.249 46.0391 102.097 PRESSAVG: 1234200 39.3027 -59.1301 -0.483331 -59.1301 -5.08753 29.6105 -0.483398 29.6104 -2.02697 GPRESSAVG: 1234200 39.5925 -57.9268 -1.29379 -59.7103 -4.79327 29.29 -0.176021 30.0327 -3.38339 TIMING: 1234200 CPU: 3584.6, 0.00291883/step Wall: 3584.6, 0.00291883/step, 3.05326 hours remaining, 205.535156 MB of memory in use. ENERGY: 1234200 756.9119 2112.3089 1998.6722 117.0702 -206516.5759 18049.0250 0.0000 0.0000 34541.4621 -148941.1255 301.6592 -183482.5875 -148842.2845 300.2985 4.6202 39.8826 558092.4364 10.7294 10.4720 PRESSURE: 1234400 65.7707 -172.191 -44.1232 -172.191 43.3659 120.123 -44.1235 120.122 43.3047 GPRESSURE: 1234400 56.4964 -178.929 -86.4899 -118.615 37.4455 27.9612 -2.33171 205.056 157.008 PRESSAVG: 1234400 -32.1914 -33.0076 -4.84538 -33.0077 -21.3912 25.2431 -4.84535 25.2431 39.7522 GPRESSAVG: 1234400 -34.2385 -30.3139 -4.7225 -36.3384 -19.5237 27.1736 -5.25408 24.9279 40.891 TIMING: 1234400 CPU: 3585.18, 0.00292518/step Wall: 3585.18, 0.00292518/step, 3.05974 hours remaining, 205.535156 MB of memory in use. ENERGY: 1234400 749.6408 2179.1799 1963.4543 115.6810 -206094.9130 17877.6623 0.0000 0.0000 34339.8311 -148869.4635 299.8983 -183209.2946 -148775.3264 300.5665 50.8138 83.6499 557024.0372 -4.6101 -4.2904 PRESSURE: 1234600 -10.9235 101.671 -29.2545 101.671 -285.238 20.8799 -29.2543 20.8785 -48.1986 GPRESSURE: 1234600 35.6619 171.855 -65.0669 120.513 -254.643 37.1701 -12.6687 41.7106 -36.1555 PRESSAVG: 1234600 20.4668 -46.9746 -15.254 -46.9746 -37.45 20.7213 -15.2539 20.7213 -7.02707 GPRESSAVG: 1234600 22.6296 -49.3551 -17.4857 -44.859 -38.5796 19.3022 -15.35 22.5589 -8.17278 TIMING: 1234600 CPU: 3585.77, 0.00292178/step Wall: 3585.77, 0.00292178/step, 3.05602 hours remaining, 205.535156 MB of memory in use. ENERGY: 1234600 755.6670 2151.3113 1985.0372 110.4177 -205741.9642 17502.9948 0.0000 0.0000 34300.4315 -148936.1046 299.5542 -183236.5361 -148831.4747 300.4225 -114.7868 -85.0456 559046.9258 -8.0034 -8.0409 PRESSURE: 1234800 -65.9079 -68.882 -41.7369 -68.8814 -118.353 -42.3049 -41.7368 -42.3059 -73.143 GPRESSURE: 1234800 10.1468 -67.0481 8.61646 -141.374 -83.4604 45.3528 -45.6879 -108.344 -90.0718 PRESSAVG: 1234800 72.3747 -6.04588 7.81442 -6.04586 -74.0439 26.6262 7.81439 26.6262 32.7394 GPRESSAVG: 1234800 71.3832 -5.47241 12.7922 -6.4997 -73.2639 27.9998 5.92625 21.5617 33.2116 TIMING: 1234800 CPU: 3586.35, 0.00290921/step Wall: 3586.35, 0.00290921/step, 3.04271 hours remaining, 205.535156 MB of memory in use. ENERGY: 1234800 751.4261 2123.7528 1998.1597 125.1180 -206048.0924 17655.1467 0.0000 0.0000 34406.6477 -148987.8414 300.4818 -183394.4891 -148881.7447 300.4837 -85.8013 -54.4618 558250.5114 10.3567 10.4437 PRESSURE: 1235000 12.7124 42.3732 -73.048 42.3728 -345.426 -24.3611 -73.0472 -24.3609 -301.083 GPRESSURE: 1235000 -1.55457 -34.8672 -56.89 30.8406 -272.382 -10.1235 -89.8534 -23.7917 -267.908 PRESSAVG: 1235000 49.6075 -26.4531 -17.7377 -26.4532 -100.022 24.1316 -17.7377 24.1316 29.225 GPRESSAVG: 1235000 49.4633 -27.0899 -20.035 -25.7435 -100.561 24.8817 -15.9791 26.4671 29.6374 TIMING: 1235000 CPU: 3586.93, 0.00289428/step Wall: 3586.93, 0.00289428/step, 3.02694 hours remaining, 205.535156 MB of memory in use. ENERGY: 1235000 729.2247 2110.4164 1968.0853 111.1900 -205831.1916 17555.1749 0.0000 0.0000 34420.5087 -148936.5916 300.6029 -183357.1003 -148834.5322 299.6514 -211.2655 -180.6148 557578.3984 -7.0630 -7.1533 PRESSURE: 1235200 -176.404 -130.601 -87.5947 -130.6 92.6689 116.176 -87.5962 116.174 130.92 GPRESSURE: 1235200 -149.542 -186.122 -154.222 -65.7297 130.448 64.0042 -69.4327 147.213 147.098 PRESSAVG: 1235200 34.9557 -11.8055 -13.3301 -11.8056 -82.7035 6.90249 -13.33 6.90255 64.8223 GPRESSAVG: 1235200 35.4798 -11.0265 -13.1768 -11.5168 -81.6665 5.68643 -14.1293 6.42337 63.3834 TIMING: 1235200 CPU: 3587.5, 0.00289293/step Wall: 3587.5, 0.00289292/step, 3.02536 hours remaining, 205.535156 MB of memory in use. ENERGY: 1235200 759.3744 2095.0733 1947.1755 109.6669 -205815.1381 17826.5595 0.0000 0.0000 34244.3168 -148832.9717 299.0641 -183077.2885 -148739.6793 300.2709 15.7284 42.6682 557134.9309 5.6915 5.7322 PRESSURE: 1235400 -56.947 -96.4246 9.97413 -96.4255 -194.173 113.74 9.97359 113.741 33.3122 GPRESSURE: 1235400 -33.7764 -37.8956 50.3086 -148.04 -180.697 60.399 -43.3176 122.558 96.7584 PRESSAVG: 1235400 -30.7119 -32.8257 0.344101 -32.8257 -18.3437 14.9122 0.34404 14.9122 54.1041 GPRESSAVG: 1235400 -31.3231 -32.0669 1.44496 -33.4206 -18.8024 13.2592 -1.68538 17.8426 55.5297 TIMING: 1235400 CPU: 3588.09, 0.00291818/step Wall: 3588.09, 0.00291818/step, 3.05161 hours remaining, 205.535156 MB of memory in use. ENERGY: 1235400 753.2237 2078.4347 1944.4996 100.2762 -205561.7934 17540.5453 0.0000 0.0000 34269.8446 -148874.9692 299.2871 -183144.8139 -148778.0011 299.3163 -72.6026 -39.2384 557261.1603 1.6828 1.8014 PRESSURE: 1235600 170.874 105.99 117.547 105.989 -71.3083 -39.6798 117.547 -39.6802 88.1842 GPRESSURE: 1235600 211.865 64.4447 136.998 118.452 -22.134 -41.7675 206.645 50.7545 94.7348 PRESSAVG: 1235600 20.0972 -32.2254 77.9496 -32.2255 -49.2028 28.4248 77.9496 28.4247 13.9342 GPRESSAVG: 1235600 19.6921 -35.0251 75.3323 -31.4732 -49.4163 30.6532 80.6365 26.3148 14.8551 TIMING: 1235600 CPU: 3588.67, 0.00289878/step Wall: 3588.67, 0.00289878/step, 3.03116 hours remaining, 205.535156 MB of memory in use. ENERGY: 1235600 749.5462 2099.5705 1970.5341 114.9023 -205872.3483 17791.5781 0.0000 0.0000 34407.3370 -148738.8800 300.4878 -183146.2170 -148649.1908 300.4093 62.5833 94.8219 555856.8648 -5.0572 -4.9564 PRESSURE: 1235800 -194.633 315.737 -126.485 315.737 -65.311 -37.6241 -126.485 -37.6252 -59.3656 GPRESSURE: 1235800 -141.261 318.071 -136.042 148.907 -58.4173 51.0501 -186.88 -69.2704 -34.6265 PRESSAVG: 1235800 20.7948 27.2851 47.2259 27.2851 -17.0073 -15.4332 47.2259 -15.4333 15.6543 GPRESSAVG: 1235800 22.1004 30.3161 50.2157 23.8151 -18.8555 -17.7786 45.4594 -13.6091 15.4986 TIMING: 1235800 CPU: 3589.25, 0.00289415/step Wall: 3589.25, 0.00289415/step, 3.02616 hours remaining, 205.535156 MB of memory in use. ENERGY: 1235800 737.3789 2062.4921 1955.5170 97.1961 -205135.5696 17371.1634 0.0000 0.0000 34273.5325 -148638.2896 299.3193 -182911.8222 -148537.9008 300.5861 -106.4364 -78.1015 559166.6283 6.4806 6.2478 PRESSURE: 1236000 -130.673 -64.213 -72.9257 -64.2131 20.0759 -79.4649 -72.9247 -79.4628 125.181 GPRESSURE: 1236000 -99.0807 -17.0864 6.09137 -90.1863 93.1979 -24.0427 -83.2034 -2.63787 113.198 PRESSAVG: 1236000 -14.7746 13.7958 -85.9597 13.7958 -3.30755 13.948 -85.9597 13.948 54.8581 GPRESSAVG: 1236000 -16.9106 10.7963 -87.3073 15.3438 -0.339662 16.0837 -84.5961 11.9159 54.0495 TIMING: 1236000 CPU: 3589.83, 0.00290553/step Wall: 3589.83, 0.00290553/step, 3.03789 hours remaining, 205.535156 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: 1236000 771.5710 2063.4177 1959.7098 125.1392 -205644.7156 17608.8167 0.0000 0.0000 34549.6585 -148566.4027 301.7308 -183116.0612 -148467.1842 300.5840 4.8613 35.7717 557684.9701 12.2586 12.2664 PRESSURE: 1236200 -124.479 -222.744 350.542 -222.744 31.6822 66.5073 350.54 66.5061 8.7614 GPRESSURE: 1236200 -82.3625 -225.301 303.572 -222.777 67.2281 -7.13018 436.728 49.939 19.3082 PRESSAVG: 1236200 -2.20203 8.6535 32.2585 8.6534 51.6214 26.2503 32.2585 26.2502 -66.2436 GPRESSAVG: 1236200 -2.20966 10.2883 31.6566 6.93028 51.3282 24.8011 31.7436 26.23 -66.0252 TIMING: 1236200 CPU: 3590.41, 0.00290771/step Wall: 3590.41, 0.00290771/step, 3.04001 hours remaining, 205.535156 MB of memory in use. ENERGY: 1236200 762.4793 2062.4435 1969.6502 118.3700 -205830.2287 17811.2193 0.0000 0.0000 34446.9120 -148659.1545 300.8335 -183106.0665 -148559.1291 300.8834 -28.0118 1.3913 557956.0485 -5.6081 -5.6356 LDB: ============= START OF LOAD BALANCING ============== 3593.87 LDB: ============== END OF LOAD BALANCING =============== 3593.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3593.87 LDB: ============= START OF LOAD BALANCING ============== 3594.17 LDB: Largest compute 4820 load 0.030169 is 25.6% of average load 0.117677 LDB: Average compute 0.001747 is 1.5% of average load 0.117677 LDB: TIME 3594.17 LOAD: AVG 0.117677 MAX 0.180757 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.043 MB LDB: TIME 3594.17 LOAD: AVG 0.117677 MAX 0.180757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.051 MB LDB: TIME 3594.17 LOAD: AVG 0.117677 MAX 0.180757 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.051 MB LDB: ============== END OF LOAD BALANCING =============== 3594.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3594.17 PRESSURE: 1236400 -93.0929 33.286 -134.693 33.2856 -182.114 -62.4507 -134.694 -62.4523 -196.914 GPRESSURE: 1236400 -37.9768 115.228 -148.312 -23.3064 -165.791 -127.192 -118.52 19.094 -179.716 PRESSAVG: 1236400 39.1619 -1.21259 3.22436 -1.21266 -44.5576 -13.5544 3.22444 -13.5544 -18.7226 GPRESSAVG: 1236400 40.2225 -1.33188 4.98945 0.723534 -44.5462 -12.3777 2.50896 -13.2716 -19.22 TIMING: 1236400 CPU: 3591, 0.00294684/step Wall: 3591, 0.00294684/step, 3.08076 hours remaining, 204.496094 MB of memory in use. ENERGY: 1236400 797.2019 2088.1891 1955.7374 124.0916 -205552.5444 17563.1014 0.0000 0.0000 34423.9672 -148600.2558 300.6331 -183024.2230 -148505.7326 301.0216 -157.3738 -127.8279 559258.9977 -8.0394 -7.8479 PRESSURE: 1236600 306.588 20.2136 -41.7269 20.2144 -143.345 19.4158 -41.7257 19.4166 35.2232 GPRESSURE: 1236600 299.514 28.9648 16.979 82.4582 -87.1804 -7.27233 -58.7405 -33.6226 86.002 PRESSAVG: 1236600 13.8788 -21.7913 -11.1779 -21.7913 -41.1052 -104.181 -11.1779 -104.181 25.0087 GPRESSAVG: 1236600 14.0107 -20.5385 -9.86074 -22.3259 -41.4201 -105.179 -12.1632 -103.6 25.2056 TIMING: 1236600 CPU: 3591.58, 0.00288841/step Wall: 3591.58, 0.00288841/step, 3.01951 hours remaining, 204.496094 MB of memory in use. ENERGY: 1236600 710.0328 2045.0332 1975.0902 104.4381 -205922.0816 17930.7861 0.0000 0.0000 34384.3865 -148772.3148 300.2874 -183156.7013 -148671.1250 300.6479 66.1553 99.4452 558083.7033 -0.7392 -0.7346 PRESSURE: 1236800 -170.708 -222.148 -59.9443 -222.149 82.3494 -81.8752 -59.9432 -81.8743 -294.825 GPRESSURE: 1236800 -110.668 -304.251 -159.447 -139.723 54.1688 -205.079 -7.07614 -66.1468 -218.624 PRESSAVG: 1236800 -9.73482 -12.6983 -14.1633 -12.6983 27.8765 17.302 -14.1633 17.3021 -29.7471 GPRESSAVG: 1236800 -11.0861 -15.1418 -15.6504 -11.3853 28.3504 17.1714 -11.8952 18.6385 -28.5863 TIMING: 1236800 CPU: 3592.15, 0.00288284/step Wall: 3592.15, 0.00288284/step, 3.01353 hours remaining, 204.496094 MB of memory in use. ENERGY: 1236800 712.8494 2077.5048 1950.2859 107.2563 -205819.7068 17584.9271 0.0000 0.0000 34469.6792 -148917.2042 301.0323 -183386.8834 -148823.3175 300.3660 -127.7279 -91.7076 557641.8479 -3.8685 -3.7740 PRESSURE: 1237000 5.28629 -206.689 -218.888 -206.688 64.0521 -189.853 -218.887 -189.853 110.236 GPRESSURE: 1237000 83.6602 -239.089 -184.799 -213.275 90.0012 -69.9967 -212.343 -199.6 94.2975 PRESSAVG: 1237000 -26.2417 -22.0514 -21.2374 -22.0513 36.5773 -79.6065 -21.2374 -79.6065 30.8802 GPRESSAVG: 1237000 -25.3535 -21.0027 -21.0472 -23.7198 36.3044 -78.8509 -22.8785 -81.1995 29.8746 TIMING: 1237000 CPU: 3592.73, 0.00288489/step Wall: 3592.73, 0.00288489/step, 3.01551 hours remaining, 204.496094 MB of memory in use. ENERGY: 1237000 749.0900 2087.8079 1959.0059 117.1638 -206168.7433 17881.3154 0.0000 0.0000 34399.7256 -148974.6347 300.4214 -183374.3604 -148878.1971 299.9934 59.8583 89.3197 557314.0498 13.7386 13.6085 PRESSURE: 1237200 221.808 17.6876 89.0818 17.6872 9.72945 -156.474 89.0802 -156.472 163.183 GPRESSURE: 1237200 225.796 28.0124 43.8006 -68.2807 64.8646 -125.355 108.587 -140.022 187.386 PRESSAVG: 1237200 -53.5592 -30.7099 -36.6772 -30.71 30.5614 -43.7031 -36.6772 -43.703 46.0782 GPRESSAVG: 1237200 -55.859 -29.0336 -37.5324 -31.4118 30.9467 -44.0735 -37.3014 -44.4363 47.1096 TIMING: 1237200 CPU: 3593.31, 0.00288651/step Wall: 3593.31, 0.00288651/step, 3.01704 hours remaining, 204.753906 MB of memory in use. ENERGY: 1237200 772.9727 2028.0675 1966.7313 114.7885 -206406.1246 18177.3960 0.0000 0.0000 34340.9652 -149005.2033 299.9082 -183346.1685 -148910.4334 300.4507 131.5734 159.3492 557697.0844 7.6935 7.3991 PRESSURE: 1237400 -352.108 -93.728 55.184 -93.7276 111.238 69.0253 55.1836 69.025 -46.4389 GPRESSURE: 1237400 -269.794 -67.2107 -7.57483 -160.459 91.1548 33.3692 82.5071 185.239 -18.6963 PRESSAVG: 1237400 -42.8239 -37.3666 -9.45389 -37.3665 -6.90928 -23.4651 -9.45387 -23.4652 17.9308 GPRESSAVG: 1237400 -39.7343 -39.5481 -10.9674 -35.1381 -7.96262 -23.7408 -7.18651 -23.2875 16.0973 TIMING: 1237400 CPU: 3593.89, 0.00291933/step Wall: 3593.89, 0.00291933/step, 3.05118 hours remaining, 204.753906 MB of memory in use. ENERGY: 1237400 767.3654 2169.2963 1988.2806 111.5871 -205948.7805 17678.1592 0.0000 0.0000 34178.4867 -149055.6051 298.4892 -183234.0918 -148954.0916 300.0956 -95.7699 -65.7784 559170.5369 -10.6008 -10.5332 PRESSURE: 1237600 -217.767 109.357 -162.102 109.357 -221.348 -180.352 -162.101 -180.351 35.4666 GPRESSURE: 1237600 -175.051 143.101 -279.793 69.8652 -183.609 -154.791 -17.7906 -143.473 41.0705 PRESSAVG: 1237600 -20.1921 51.3411 -15.7256 51.3411 -9.84484 -14.3185 -15.7256 -14.3185 1.1645 GPRESSAVG: 1237600 -21.5961 53.8296 -14.4575 52.2378 -9.37643 -14.4717 -14.5417 -13.5277 2.46895 TIMING: 1237600 CPU: 3594.47, 0.00290553/step Wall: 3594.47, 0.00290553/step, 3.0366 hours remaining, 204.753906 MB of memory in use. ENERGY: 1237600 733.0973 2136.0042 1950.9802 108.6797 -205841.1631 17535.6917 0.0000 0.0000 34366.1803 -149010.5297 300.1284 -183376.7100 -148908.5385 299.9885 -134.5495 -105.8633 558885.3580 -9.6241 -9.5012 PRESSURE: 1237800 117.699 -67.4845 72.6637 -67.4834 270.267 9.29588 72.6633 9.29571 61.3696 GPRESSURE: 1237800 107.069 -199.324 97.2805 -23.8603 263.123 0.55314 103.979 -30.5599 180.473 PRESSAVG: 1237800 -34.503 -11.5213 15.6839 -11.5213 -19.3167 8.28361 15.6839 8.28358 71.2344 GPRESSAVG: 1237800 -34.5416 -12.216 15.9597 -13.8241 -18.9042 10.1891 13.5265 6.54211 70.8178 TIMING: 1237800 CPU: 3595.05, 0.00290097/step Wall: 3595.05, 0.00290097/step, 3.03167 hours remaining, 204.761719 MB of memory in use. ENERGY: 1237800 717.3508 2106.4415 1966.0818 121.6587 -206159.1103 17876.8705 0.0000 0.0000 34451.5378 -148919.1690 300.8738 -183370.7069 -148816.4913 299.5339 149.7785 183.5549 558542.7257 5.8049 5.7907 PRESSURE: 1238000 -104.051 190.312 -31.8184 190.312 -104.601 -20.1058 -31.8178 -20.1063 -109.608 GPRESSURE: 1238000 -54.7787 258.239 -62.1471 217.436 -89.7995 1.14535 21.4833 -126.232 -90.0028 PRESSAVG: 1238000 -12.0909 37.0438 28.4428 37.0437 -3.24942 11.435 28.4429 11.4349 8.95986 GPRESSAVG: 1238000 -12.0119 36.3653 28.4753 35.6837 -3.09214 9.26937 28.4753 12.1631 8.73522 TIMING: 1238000 CPU: 3595.63, 0.00290076/step Wall: 3595.63, 0.00290076/step, 3.0313 hours remaining, 204.761719 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: 1238000 707.8424 2081.9547 1971.6991 119.0371 -205511.7858 17428.6309 0.0000 0.0000 34113.9390 -149088.6825 297.9255 -183202.6215 -148996.8396 299.2091 -106.0866 -78.1937 558212.6310 -2.1268 -2.1229 PRESSURE: 1238200 32.5011 -20.4122 23.0494 -20.4115 -94.8358 -44.9701 23.0499 -44.9701 4.64166 GPRESSURE: 1238200 73.8528 22.3107 20.5375 -29.9067 -40.2373 -17.8049 39.0622 -75.4982 2.14158 PRESSAVG: 1238200 29.124 -37.7918 53.7185 -37.7917 2.81908 -30.3982 53.7184 -30.3982 -29.9902 GPRESSAVG: 1238200 29.9231 -37.5306 51.6757 -36.5815 2.86319 -30.6946 54.028 -29.7329 -30.3575 TIMING: 1238200 CPU: 3596.21, 0.00290041/step Wall: 3596.21, 0.00290041/step, 3.03076 hours remaining, 204.761719 MB of memory in use. ENERGY: 1238200 722.1028 2054.1990 1962.5546 116.1735 -205576.6715 17603.2711 0.0000 0.0000 34187.9743 -148930.3962 298.5721 -183118.3705 -148827.9274 299.5497 -19.2310 11.9190 559695.1649 0.6510 0.8096 PRESSURE: 1238400 58.419 47.4083 111.464 47.4083 -256.023 58.8682 111.465 58.8681 97.8925 GPRESSURE: 1238400 119.954 14.2661 178.468 78.7632 -238.84 86.5531 54.1326 52.9251 113.049 PRESSAVG: 1238400 -5.71912 45.3922 52.0924 45.3923 9.17251 -56.4298 52.0923 -56.4297 -7.29608 GPRESSAVG: 1238400 -5.89371 46.2079 53.2716 44.4312 9.35043 -53.9077 53.1383 -59.485 -7.01538 TIMING: 1238400 CPU: 3596.79, 0.00289148/step Wall: 3596.79, 0.00289148/step, 3.02127 hours remaining, 204.761719 MB of memory in use. ENERGY: 1238400 771.7973 2055.6354 1970.1823 114.5122 -206179.2528 17808.2521 0.0000 0.0000 34431.0604 -149027.8132 300.6950 -183458.8736 -148934.6707 299.7309 -33.2372 -1.9454 557494.9516 -1.2809 -1.1862 PRESSURE: 1238600 139.895 8.18228 43.5855 8.18072 -87.6652 35.3 43.5868 35.3001 38.9108 GPRESSURE: 1238600 146.214 -2.68148 -39.0662 26.0659 -78.2107 -16.2966 -4.09335 38.2612 108.225 PRESSAVG: 1238600 -29.6665 -31.4425 11.797 -31.4425 -0.564656 -53.7159 11.797 -53.716 52.2315 GPRESSAVG: 1238600 -29.9225 -32.7826 9.36266 -31.3869 -1.43783 -54.8594 12.1691 -51.0026 53.2145 TIMING: 1238600 CPU: 3597.37, 0.00290127/step Wall: 3597.37, 0.00290127/step, 3.03134 hours remaining, 204.761719 MB of memory in use. ENERGY: 1238600 757.6067 2069.7307 1959.7446 116.1433 -206072.0814 17720.0737 0.0000 0.0000 34450.7023 -148998.0802 300.8666 -183448.7824 -148896.6098 300.1988 30.3803 58.7429 556726.6125 7.3335 7.2847 PRESSURE: 1238800 -5.56801 -129.188 -69.3377 -129.187 167.425 55.8308 -69.3379 55.8307 213.507 GPRESSURE: 1238800 34.2765 -87.3057 -36.8344 -152.277 206.439 27.174 -34.3035 87.6485 229.502 PRESSAVG: 1238800 -14.061 -42.6263 -29.3775 -42.6263 -20.4412 -1.36336 -29.3776 -1.36317 30.2077 GPRESSAVG: 1238800 -13.7261 -40.953 -28.3797 -42.368 -19.8425 -1.35449 -31.032 -1.8966 29.2199 TIMING: 1238800 CPU: 3597.95, 0.0029029/step Wall: 3597.95, 0.0029029/step, 3.03289 hours remaining, 204.761719 MB of memory in use. ENERGY: 1238800 733.8493 2077.4167 1946.5714 97.8744 -205949.3884 17837.9408 0.0000 0.0000 34343.8650 -148911.8709 299.9335 -183255.7359 -148821.6217 299.6988 125.1211 156.7392 557145.7594 -1.4315 -1.4496 PRESSURE: 1239000 -129.675 -26.379 33.7887 -26.379 -5.58651 14.296 33.7875 14.2948 -254.95 GPRESSURE: 1239000 -164.198 -32.8815 -49.6447 -21.836 9.46796 42.9873 45.9999 39.0461 -146.384 PRESSAVG: 1239000 -67.9596 -65.7157 -25.4894 -65.7157 -19.2402 -17.0657 -25.4894 -17.0658 124.302 GPRESSAVG: 1239000 -67.6772 -65.2973 -23.0325 -65.1873 -19.4134 -16.5504 -25.4086 -16.911 123.86 TIMING: 1239000 CPU: 3598.54, 0.00291814/step Wall: 3598.54, 0.00291814/step, 3.04865 hours remaining, 204.761719 MB of memory in use. ENERGY: 1239000 760.9729 2096.4417 1950.8330 136.0560 -205768.6572 17544.0890 0.0000 0.0000 34427.2573 -148853.0073 300.6618 -183280.2645 -148757.8615 300.1041 -130.0702 -100.3716 557220.1358 12.3675 12.2565 PRESSURE: 1239200 -59.4497 -125.539 -1.42523 -125.539 30.0716 -7.13275 -1.4259 -7.13148 -182.401 GPRESSURE: 1239200 -44.5971 -187.847 33.5024 -88.4494 61.7745 75.8615 -57.9107 -106.972 -133.849 PRESSAVG: 1239200 -13.771 -23.1264 -54.7816 -23.1264 24.2379 -11.1961 -54.7816 -11.196 -3.66888 GPRESSAVG: 1239200 -13.5736 -26.16 -55.5029 -23.1773 22.8481 -12.1814 -54.7407 -11.892 -3.30554 TIMING: 1239200 CPU: 3599.11, 0.00288449/step Wall: 3599.11, 0.00288449/step, 3.01334 hours remaining, 204.761719 MB of memory in use. ENERGY: 1239200 697.3042 2024.2059 2000.9395 123.8904 -205994.2157 17864.9744 0.0000 0.0000 34471.4385 -148811.4629 301.0476 -183282.9014 -148717.3215 300.7965 -70.5932 -38.8905 557698.6303 2.2660 1.9897 PRESSURE: 1239400 124.973 137.692 -32.9183 137.692 -97.9908 33.7573 -32.9194 33.7557 -57.5092 GPRESSURE: 1239400 173.49 140.727 -31.5306 151.602 -65.8602 9.52731 -116.837 69.9607 -41.4996 PRESSAVG: 1239400 0.0199284 -56.4583 -6.5601 -56.4582 10.173 -83.497 -6.56004 -83.4972 -25.0121 GPRESSAVG: 1239400 1.32894 -55.2529 -6.98277 -55.5769 10.5406 -84.1792 -6.19407 -80.7297 -26.1358 TIMING: 1239400 CPU: 3599.69, 0.00289586/step Wall: 3599.69, 0.00289586/step, 3.02505 hours remaining, 204.761719 MB of memory in use. ENERGY: 1239400 754.3571 2101.3217 1966.9611 111.1667 -205791.4962 17724.6514 0.0000 0.0000 34272.1783 -148860.8599 299.3075 -183133.0382 -148766.9466 300.3019 -10.1757 22.0435 557767.8846 -4.9397 -4.7554 PRESSURE: 1239600 -12.4455 -12.2716 -80.6143 -12.2707 76.638 -35.8226 -80.6152 -35.8235 -114.214 GPRESSURE: 1239600 30.8531 -97.41 -81.097 95.8872 52.5811 -71.6122 -28.9339 80.0823 -17.2038 PRESSAVG: 1239600 22.8551 -8.24285 -41.5979 -8.24291 -24.7031 2.74313 -41.5978 2.74321 -0.23192 GPRESSAVG: 1239600 21.7121 -8.21962 -40.705 -9.98405 -23.9121 3.26254 -42.4212 1.29476 0.608694 TIMING: 1239600 CPU: 3600.27, 0.00288753/step Wall: 3600.27, 0.00288753/step, 3.01619 hours remaining, 204.761719 MB of memory in use. ENERGY: 1239600 764.6304 2110.5562 1924.2519 104.0084 -206177.3299 17967.9947 0.0000 0.0000 34430.3683 -148875.5200 300.6890 -183305.8883 -148770.7764 299.9226 -16.6736 22.0768 559002.9181 -0.6933 -0.5304 PRESSURE: 1239800 -314.719 -34.1803 54.733 -34.1814 -52.5776 -90.3339 54.7331 -90.3349 -130.496 GPRESSURE: 1239800 -289.274 83.9442 36.2657 -7.98744 -24.0074 -120.566 69.884 -103.292 -90.2454 PRESSAVG: 1239800 -31.1496 2.62758 12.9064 2.62761 -37.2068 -9.13137 12.9064 -9.13147 53.6244 GPRESSAVG: 1239800 -32.6465 2.50908 12.6587 2.95767 -36.7353 -8.57653 14.4748 -9.16106 54.6597 TIMING: 1239800 CPU: 3600.85, 0.00289179/step Wall: 3600.85, 0.00289179/step, 3.02047 hours remaining, 204.761719 MB of memory in use. ENERGY: 1239800 713.3296 2156.3723 1974.5965 118.2255 -205697.9014 17531.0387 0.0000 0.0000 34322.1194 -148882.2194 299.7436 -183204.3388 -148787.8142 299.6548 -165.9309 -134.5090 560032.6386 -4.9107 -4.9073 PRESSURE: 1240000 -298.364 -8.09913 23.2093 -8.09887 -18.0413 34.8845 23.2092 34.8851 66.668 GPRESSURE: 1240000 -312.371 -134.179 33.3342 40.7287 1.30435 16.8107 16.4975 36.3798 160.076 PRESSAVG: 1240000 -3.76063 -50.3452 15.3754 -50.3452 19.1942 -3.22032 15.3754 -3.2202 29.9965 GPRESSAVG: 1240000 -1.9508 -49.5118 16.4344 -49.165 19.1206 -5.14662 13.7158 -5.26566 28.4448 TIMING: 1240000 CPU: 3601.43, 0.00290476/step Wall: 3601.43, 0.00290476/step, 3.03386 hours remaining, 204.761719 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: 1240000 745.2025 2108.8776 1963.0764 116.9815 -206094.1342 17788.3677 0.0000 0.0000 34351.0626 -149020.5660 299.9964 -183371.6286 -148923.0863 299.7718 -83.2456 -50.3304 559322.1363 15.1433 15.2049 PRESSURE: 1240200 -205.243 -27.8978 31.0569 -27.8991 -110.567 -139.996 31.0557 -139.996 -71.8724 GPRESSURE: 1240200 -176.357 77.1414 78.4634 -107.489 -63.2965 -48.4958 -40.5018 -172.034 -59.3443 PRESSAVG: 1240200 -63.2224 18.3622 20.5211 18.3622 82.3666 -4.74518 20.5211 -4.74515 51.2607 GPRESSAVG: 1240200 -65.4583 15.9444 19.1359 18.7337 84.2535 -2.57642 20.7843 -1.78178 52.3314 TIMING: 1240200 CPU: 3602.01, 0.00290116/step Wall: 3602.01, 0.00290116/step, 3.02994 hours remaining, 204.761719 MB of memory in use. ENERGY: 1240200 736.2507 2135.8910 1970.1539 113.7871 -205903.4416 17648.3033 0.0000 0.0000 34180.2917 -149118.7639 298.5050 -183299.0555 -149021.4589 299.8677 -129.2273 -99.6661 559030.5503 23.4683 23.7089 LDB: ============= START OF LOAD BALANCING ============== 3605.48 LDB: ============== END OF LOAD BALANCING =============== 3605.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3605.48 LDB: ============= START OF LOAD BALANCING ============== 3605.78 LDB: Largest compute 4820 load 0.031244 is 26.6% of average load 0.117609 LDB: Average compute 0.001750 is 1.5% of average load 0.117609 LDB: TIME 3605.78 LOAD: AVG 0.117609 MAX 0.177811 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.758 MB LDB: TIME 3605.78 LOAD: AVG 0.117609 MAX 0.177811 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.758 MB LDB: TIME 3605.78 LOAD: AVG 0.117609 MAX 0.177811 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.758 MB LDB: ============== END OF LOAD BALANCING =============== 3605.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3605.78 PRESSURE: 1240400 -114.479 -208.854 94.7846 -208.854 68.853 -6.34827 94.785 -6.3503 -99.3785 GPRESSURE: 1240400 -57.226 -219.011 75.6068 -233.427 82.2792 -54.3919 115.999 32.1766 -65.9609 PRESSAVG: 1240400 -84.4659 6.87386 11.8768 6.87387 38.4465 -22.5434 11.8768 -22.5434 14.9418 GPRESSAVG: 1240400 -82.9878 6.6954 13.325 6.46888 36.5551 -24.5917 9.77504 -22.2961 14.8441 TIMING: 1240400 CPU: 3602.61, 0.00300058/step Wall: 3602.61, 0.00300058/step, 3.13361 hours remaining, 204.296875 MB of memory in use. ENERGY: 1240400 743.1383 2097.1727 1997.5901 106.7683 -206106.2166 17683.7625 0.0000 0.0000 34336.5612 -149141.2235 299.8697 -183477.7846 -149043.3317 299.5455 -48.3349 -13.6359 557947.5431 -10.3592 -10.5295 PRESSURE: 1240600 50.6303 -201.079 -151.473 -201.079 -172.817 -6.85618 -151.475 -6.85718 -45.2836 GPRESSURE: 1240600 102.319 -197.79 -215.42 -176.7 -188.694 3.39298 -75.9617 33.9544 11.0917 PRESSAVG: 1240600 2.4337 27.9534 16.6601 27.9534 71.425 -27.2916 16.6602 -27.2916 -15.3291 GPRESSAVG: 1240600 1.10541 29.2872 16.5435 28.7098 72.0871 -26.1488 19.2402 -29.6786 -13.8998 TIMING: 1240600 CPU: 3603.19, 0.00291371/step Wall: 3603.19, 0.00291371/step, 3.04272 hours remaining, 204.757812 MB of memory in use. ENERGY: 1240600 751.9452 2082.9581 1931.2791 121.1069 -205922.6629 17626.2883 0.0000 0.0000 34204.0878 -149204.9974 298.7128 -183409.0852 -149109.4635 299.6549 -55.8234 -25.0943 556782.5246 19.5099 19.7642 PRESSURE: 1240800 -275.024 -172.575 191.672 -172.575 -85.6326 -1.8205 191.671 -1.81882 -433.85 GPRESSURE: 1240800 -235.329 -149.301 197.646 -145.378 -82.6992 -61.5014 192.279 73.827 -371.833 PRESSAVG: 1240800 45.1207 7.07708 3.8175 7.07711 3.79434 1.57083 3.8175 1.57099 -29.5948 GPRESSAVG: 1240800 44.9725 7.84613 3.8256 7.20147 3.56508 2.13128 0.97128 2.39694 -29.0673 TIMING: 1240800 CPU: 3603.77, 0.00288711/step Wall: 3603.77, 0.00288711/step, 3.01479 hours remaining, 204.757812 MB of memory in use. ENERGY: 1240800 756.7032 2176.0513 1952.8367 105.0227 -205851.7311 17523.2603 0.0000 0.0000 34225.6892 -149112.1675 298.9015 -183337.8567 -149018.3083 300.1229 -264.8356 -229.9539 557968.9873 6.4401 6.4901 PRESSURE: 1241000 16.4278 9.87118 62.8795 9.87094 129.875 35.7253 62.8808 35.7245 102.318 GPRESSURE: 1241000 -30.1359 20.6094 -9.44161 -21.1727 253.318 22.9752 55.0784 56.8726 119.371 PRESSAVG: 1241000 -6.42298 -3.17493 33.2836 -3.17487 -17.1828 -0.882717 33.2835 -0.882759 15.9795 GPRESSAVG: 1241000 -5.64041 -3.71586 33.6642 -3.39881 -16.6534 -2.62571 32.7461 0.409637 14.4296 TIMING: 1241000 CPU: 3604.35, 0.00288649/step Wall: 3604.35, 0.00288649/step, 3.01398 hours remaining, 204.757812 MB of memory in use. ENERGY: 1241000 746.6068 2133.9259 1938.3292 121.8379 -206079.1655 17792.2026 0.0000 0.0000 34136.2584 -149210.0047 298.1204 -183346.2631 -149113.5870 298.8749 82.8734 114.1844 556337.9995 -2.5421 -2.6214 PRESSURE: 1241200 -48.5572 33.3925 208.648 33.3926 -42.922 62.2756 208.647 62.2751 -103.496 GPRESSURE: 1241200 29.78 39.1579 197.038 -98.7657 -105.09 -47.6698 321.342 91.0805 -20.2352 PRESSAVG: 1241200 -28.4001 -40.2822 62.3662 -40.2823 16.5396 -54.3766 62.3663 -54.3766 -11.1201 GPRESSAVG: 1241200 -27.888 -40.6521 59.8929 -41.5035 17.1865 -53.7717 64.6638 -56.4039 -12.3198 TIMING: 1241200 CPU: 3604.92, 0.00289219/step Wall: 3604.92, 0.00289219/step, 3.01977 hours remaining, 204.757812 MB of memory in use. ENERGY: 1241200 769.2434 2034.9152 1960.5949 106.3615 -205786.5680 17474.3651 0.0000 0.0000 34275.6276 -149165.4605 299.3376 -183441.0880 -149067.9017 298.8756 -64.9918 -31.8482 555940.7928 -7.6602 -7.6737 PRESSURE: 1241400 198.856 -75.9302 40.2308 -75.9304 15.0002 77.6701 40.23 77.6688 -187.357 GPRESSURE: 1241400 200.41 -3.12701 74.6427 -73.6109 51.8555 103.444 18.0905 13.8056 -123.145 PRESSAVG: 1241400 -44.7494 -8.91307 38.95 -8.91299 38.6629 27.4024 38.9499 27.4025 3.23897 GPRESSAVG: 1241400 -44.2467 -7.44668 40.8202 -8.78535 37.1868 29.4545 39.5577 27.6794 5.04761 TIMING: 1241400 CPU: 3605.5, 0.00289727/step Wall: 3605.5, 0.00289727/step, 3.02491 hours remaining, 204.757812 MB of memory in use. ENERGY: 1241400 746.7787 2068.3520 1946.3658 108.1305 -206399.4577 17746.9978 0.0000 0.0000 34507.5749 -149275.2580 301.3632 -183782.8329 -149182.5035 298.8296 8.8329 43.0402 554460.5340 -0.9492 -0.6707 PRESSURE: 1241600 148.896 123.725 -109.755 123.725 101.152 -73.3092 -109.754 -73.3099 164.186 GPRESSURE: 1241600 164.142 111.562 -142.901 228.34 133.361 -159.621 -95.431 -64.7837 208.783 PRESSAVG: 1241600 77.7554 -26.0086 -32.2715 -26.0086 4.36346 19.5209 -32.2715 19.5208 -12.6547 GPRESSAVG: 1241600 78.8965 -27.156 -32.0978 -25.4644 3.56576 18.5317 -34.3997 20.3788 -13.0138 TIMING: 1241600 CPU: 3606.09, 0.00291313/step Wall: 3606.09, 0.00291313/step, 3.0413 hours remaining, 204.882812 MB of memory in use. ENERGY: 1241600 747.9219 2085.2623 1978.3483 117.4496 -206364.8715 17889.0188 0.0000 0.0000 34243.6873 -149303.1833 299.0586 -183546.8706 -149206.5070 299.7102 138.0778 168.7619 555786.7593 23.1547 23.1495 PRESSURE: 1241800 -174.983 -55.686 -108.86 -55.6862 63.6082 158.096 -108.86 158.095 73.8219 GPRESSURE: 1241800 -88.4695 -114.507 -65.9128 7.73015 133.224 179.1 -79.9846 36.9353 21.7788 PRESSAVG: 1241800 24.7719 -39.6051 15.2875 -39.6051 -20.1098 27.3122 15.2875 27.3121 -27.1341 GPRESSAVG: 1241800 24.9354 -39.6939 15.9616 -40.3514 -19.5109 25.9156 14.8592 27.4278 -26.9036 TIMING: 1241800 CPU: 3606.67, 0.00289398/step Wall: 3606.67, 0.00289398/step, 3.02115 hours remaining, 204.882812 MB of memory in use. ENERGY: 1241800 733.1117 2029.7212 1953.1290 120.2491 -206154.0577 17701.4440 0.0000 0.0000 34207.5460 -149408.8566 298.7430 -183616.4026 -149310.8483 298.6039 -12.5177 22.1776 555553.1023 -7.4907 -7.1597 PRESSURE: 1242000 -136.361 -9.41115 133.567 -9.41216 -48.5461 -98.9393 133.568 -98.9399 92.0734 GPRESSURE: 1242000 -76.0379 -73.9689 154.589 26.9561 14.3851 -132.978 104.112 -88.1355 74.4983 PRESSAVG: 1242000 -28.8189 -50.4587 18.5461 -50.4588 22.8307 -19.566 18.546 -19.5659 4.86607 GPRESSAVG: 1242000 -29.2442 -50.5474 18.1093 -50.8992 23.1349 -20.4735 19.2194 -19.3777 4.91929 TIMING: 1242000 CPU: 3607.24, 0.00289163/step Wall: 3607.24, 0.00289163/step, 3.01854 hours remaining, 204.882812 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: 1242000 776.5838 2136.8263 1945.1117 116.2687 -206265.1344 17701.4252 0.0000 0.0000 34189.0253 -149399.8935 298.5813 -183588.9187 -149303.3483 298.4949 -30.9447 4.2819 555830.0112 -0.3740 -0.3967 PRESSURE: 1242200 2.32983 -53.7658 81.616 -53.7665 203.905 4.72769 81.6157 4.72865 -84.7842 GPRESSURE: 1242200 73.4502 -125.825 109.499 -77.3927 254.796 4.74246 114.76 -37.3979 -104.34 PRESSAVG: 1242200 -18.7795 -62.2852 29.4283 -62.2852 7.00737 -32.7309 29.4282 -32.7309 -21.4591 GPRESSAVG: 1242200 -19.3219 -62.6814 27.8444 -63.1496 8.00935 -30.7012 30.4165 -33.808 -21.6941 TIMING: 1242200 CPU: 3607.82, 0.00290478/step Wall: 3607.82, 0.00290478/step, 3.0321 hours remaining, 204.882812 MB of memory in use. ENERGY: 1242200 727.3350 2072.0678 1971.5549 122.2112 -206370.7888 17779.4863 0.0000 0.0000 34243.9348 -149454.1988 299.0608 -183698.1336 -149358.4748 299.1577 40.4836 74.6353 555403.6401 -11.0771 -11.0022 PRESSURE: 1242400 -126.036 -117.53 -61.8899 -117.53 -19.8629 99.5924 -61.8907 99.5917 -203.572 GPRESSURE: 1242400 -142.695 -158.564 -36.4523 -144.026 -2.30251 142.469 -52.2039 122.438 -100.319 PRESSAVG: 1242400 -31.3237 1.68025 -0.073682 1.68025 85.434 -16.2191 -0.0737083 -16.2192 -29.9678 GPRESSAVG: 1242400 -31.2082 3.60804 -0.737489 3.83736 84.4697 -18.1209 0.474506 -17.0245 -29.2818 TIMING: 1242400 CPU: 3608.41, 0.00290137/step Wall: 3608.41, 0.00290137/step, 3.02839 hours remaining, 204.882812 MB of memory in use. ENERGY: 1242400 770.7375 2071.3944 1957.1538 118.8859 -206561.1408 17816.8264 0.0000 0.0000 34290.8027 -149535.3401 299.4701 -183826.1428 -149435.2888 298.5301 -116.4901 -81.7722 557794.6004 8.0475 7.9932 PRESSURE: 1242600 -3.97569 84.9195 -50.6923 84.9191 -225.482 -8.91251 -50.6919 -8.91143 164.77 GPRESSURE: 1242600 67.4291 86.1987 -110.341 55.093 -189.903 63.1567 -10.5332 22.0058 143.982 PRESSAVG: 1242600 -8.07633 -25.078 -30.8138 -25.078 -64.3859 -1.81996 -30.8138 -1.81993 37.05 GPRESSAVG: 1242600 -8.33035 -26.9036 -32.2865 -25.1449 -62.8296 -1.50424 -30.5938 0.10012 35.2429 TIMING: 1242600 CPU: 3608.98, 0.00289527/step Wall: 3608.98, 0.00289527/step, 3.02186 hours remaining, 204.882812 MB of memory in use. ENERGY: 1242600 763.1668 2085.0166 1956.2227 103.0670 -206575.4844 17910.9530 0.0000 0.0000 34351.5435 -149405.5147 300.0006 -183757.0582 -149312.3168 298.4022 -21.5625 7.1695 557210.7919 -11.8041 -11.9723 PRESSURE: 1242800 -182.667 92.5854 -6.58009 92.586 -373.798 131.721 -6.58075 131.722 -137.281 GPRESSURE: 1242800 -185.427 79.6068 -25.9432 69.1163 -305.016 60.4883 -1.96447 132.615 -104.161 PRESSAVG: 1242800 9.66754 -41.0047 -59.5887 -41.0047 -41.5397 -72.2969 -59.5887 -72.2969 2.61973 GPRESSAVG: 1242800 9.95977 -40.2031 -56.874 -41.3097 -42.1182 -70.977 -60.8131 -73.704 2.97204 TIMING: 1242800 CPU: 3609.57, 0.00290814/step Wall: 3609.57, 0.00290814/step, 3.03513 hours remaining, 204.882812 MB of memory in use. ENERGY: 1242800 728.6439 2119.3170 1954.9004 114.4130 -205999.2926 17402.0218 0.0000 0.0000 34217.3821 -149462.6143 298.8289 -183679.9964 -149370.7382 298.4610 -231.2485 -198.2012 557260.3188 -9.7508 -9.7288 PRESSURE: 1243000 145.071 -7.88729 234.492 -7.88785 -113.636 59.9678 234.493 59.9662 -8.84992 GPRESSURE: 1243000 139.725 -39.6255 207.007 26.8467 -81.9058 55.0617 228.177 -38.8089 62.2382 PRESSAVG: 1243000 6.97439 -26.6492 23.2982 -26.6492 1.63517 2.80484 23.2982 2.80476 30.8215 GPRESSAVG: 1243000 6.85632 -26.1969 22.2337 -26.7408 1.16381 0.837529 24.1486 1.74685 31.4993 TIMING: 1243000 CPU: 3610.15, 0.00292286/step Wall: 3610.15, 0.00292286/step, 3.05033 hours remaining, 204.882812 MB of memory in use. ENERGY: 1243000 766.5187 2045.8423 1963.4489 122.8903 -206320.8814 17879.3009 0.0000 0.0000 34140.7986 -149402.0817 298.1601 -183542.8802 -149303.0690 298.5037 7.5283 40.0193 558222.4823 13.1437 13.1731 PRESSURE: 1243200 22.3936 -83.9894 95.4675 -83.9909 -3.08333 139.217 95.4676 139.217 -43.4705 GPRESSURE: 1243200 73.7686 -60.0737 80.2139 -110.493 59.8675 71.9652 179.176 158.162 -59.4836 PRESSAVG: 1243200 7.31731 -20.1279 25.959 -20.1279 -18.2124 23.039 25.959 23.0389 25.1986 GPRESSAVG: 1243200 6.65607 -20.2663 26.4488 -20.2927 -17.2433 23.0069 27.0516 25.1361 25.0548 TIMING: 1243200 CPU: 3610.73, 0.00291196/step Wall: 3610.73, 0.00291196/step, 3.03879 hours remaining, 204.882812 MB of memory in use. ENERGY: 1243200 714.8097 2050.3471 1973.1685 112.4589 -206260.4297 17698.5725 0.0000 0.0000 34404.1462 -149306.9270 300.4600 -183711.0731 -149211.3502 298.7887 -8.0534 24.7175 556276.3611 4.7678 4.8225 PRESSURE: 1243400 -303.65 -33.9824 -17.1975 -33.9815 -156.205 -146.492 -17.1971 -146.491 162.452 GPRESSURE: 1243400 -262.147 -48.517 31.6448 -77.9801 -135.788 -103.119 9.92553 -119.955 186.993 PRESSAVG: 1243400 18.8003 -14.8397 3.61098 -14.8397 -1.72274 -35.2769 3.61095 -35.2768 34.4004 GPRESSAVG: 1243400 18.7622 -15.2975 4.8732 -13.2332 -3.35992 -35.12 0.304709 -35.7394 36.0251 TIMING: 1243400 CPU: 3611.32, 0.00292402/step Wall: 3611.32, 0.00292402/step, 3.05122 hours remaining, 204.941406 MB of memory in use. ENERGY: 1243400 720.2953 2083.7809 1969.8540 112.9420 -205926.0143 17527.6697 0.0000 0.0000 34251.1947 -149260.2777 299.1242 -183511.4723 -149160.5999 299.5099 -99.1342 -70.3140 557735.3655 17.1593 17.1425 PRESSURE: 1243600 -88.1826 8.49497 26.9391 8.49444 -53.3045 24.5284 26.94 24.5279 365.04 GPRESSURE: 1243600 -61.8458 -31.0178 -16.102 -15.2415 3.5828 61.2811 54.5755 4.42043 366.927 PRESSAVG: 1243600 -74.0625 -10.5605 37.2003 -10.5604 30.141 -31.6193 37.2004 -31.6193 21.9522 GPRESSAVG: 1243600 -73.2559 -9.71748 38.015 -13.6455 30.4679 -31.0802 40.0173 -34.3958 20.3862 TIMING: 1243600 CPU: 3611.9, 0.00293441/step Wall: 3611.9, 0.00293441/step, 3.06189 hours remaining, 204.941406 MB of memory in use. ENERGY: 1243600 694.2050 2095.3100 1919.1122 119.2045 -206680.9618 17869.3384 0.0000 0.0000 34594.2560 -149389.5356 302.1202 -183983.7916 -149290.2878 299.4856 74.5177 102.8879 556755.3754 -7.3231 -7.4673 PRESSURE: 1243800 63.7995 -102.316 6.22159 -102.314 -40.223 117.94 6.22096 117.939 118.918 GPRESSURE: 1243800 50.8713 -79.5677 100.688 -126.052 0.715216 155.482 -39.9878 63.7464 202.128 PRESSAVG: 1243800 -96.5889 4.96478 66.2547 4.96486 23.8821 18.0368 66.2548 18.0368 56.4575 GPRESSAVG: 1243800 -96.821 4.25876 66.3459 7.03233 23.305 16.7541 66.1006 19.5896 57.4659 TIMING: 1243800 CPU: 3612.48, 0.00288628/step Wall: 3612.48, 0.00288628/step, 3.01151 hours remaining, 204.941406 MB of memory in use. ENERGY: 1243800 731.8638 2058.1180 1942.8158 121.4563 -206439.6276 18022.4545 0.0000 0.0000 34266.0600 -149296.8592 299.2540 -183562.9193 -149200.2794 299.4305 47.4981 84.5715 556031.0396 -5.4164 -5.3500 PRESSURE: 1244000 -258.964 139.114 34.2668 139.115 -77.0719 13.8098 34.2659 13.8097 16.0738 GPRESSURE: 1244000 -153.843 94.0959 56.9223 85.6539 -58.0246 -3.20358 -37.4416 -52.7243 -5.66708 PRESSAVG: 1244000 38.0877 28.8237 19.1085 28.8237 -21.8411 -22.9782 19.1085 -22.9783 -7.96925 GPRESSAVG: 1244000 38.6652 29.9415 16.0655 27.654 -20.2597 -21.0119 19.1996 -22.7615 -9.22258 TIMING: 1244000 CPU: 3613.06, 0.00288293/step Wall: 3613.06, 0.00288293/step, 3.00786 hours remaining, 204.941406 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: 1244000 755.0846 2070.2675 1971.9322 110.6743 -205961.8147 17601.1019 0.0000 0.0000 34307.5873 -149145.1668 299.6167 -183452.7542 -149053.9855 298.9291 -106.6539 -72.5115 557134.3862 2.7591 3.0610 PRESSURE: 1244200 298.773 -122.669 8.96385 -122.67 70.7376 60.4812 8.96475 60.4784 46.8859 GPRESSURE: 1244200 304.785 -54.1644 -25.6407 -102.379 87.9585 -6.53331 95.4867 125.904 123.7 PRESSAVG: 1244200 37.9941 54.8843 0.266906 54.8843 -30.0611 -49.3068 0.2669 -49.3069 23.156 GPRESSAVG: 1244200 37.4281 53.7285 2.21899 58.0289 -30.2559 -48.8164 -1.71876 -47.6065 24.0019 TIMING: 1244200 CPU: 3613.64, 0.00291072/step Wall: 3613.64, 0.00291072/step, 3.03669 hours remaining, 204.941406 MB of memory in use. ENERGY: 1244200 721.3090 2029.9373 1952.0451 111.7865 -206167.3818 17844.4432 0.0000 0.0000 34280.3625 -149227.4982 299.3789 -183507.8607 -149128.3064 299.1952 138.7989 172.1479 556977.9465 10.3630 10.3913 LDB: ============= START OF LOAD BALANCING ============== 3617.11 LDB: ============== END OF LOAD BALANCING =============== 3617.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3617.11 LDB: ============= START OF LOAD BALANCING ============== 3617.4 LDB: Largest compute 4820 load 0.029843 is 25.4% of average load 0.117577 LDB: Average compute 0.001739 is 1.5% of average load 0.117577 LDB: TIME 3617.41 LOAD: AVG 0.117577 MAX 0.176954 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.008 MB LDB: TIME 3617.41 LOAD: AVG 0.117577 MAX 0.176954 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.211 MB LDB: TIME 3617.41 LOAD: AVG 0.117577 MAX 0.176954 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3617.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3617.41 PRESSURE: 1244400 -157.253 -94.6054 -6.44826 -94.6056 -9.94257 -81.004 -6.44779 -81.0042 -27.6402 GPRESSURE: 1244400 -136.431 -37.9039 -6.14747 -199.891 27.917 -82.7792 -27.6721 -123.138 21.843 PRESSAVG: 1244400 37.3962 70.7654 -14.6747 70.7655 -66.2913 22.4141 -14.6747 22.4141 55.0993 GPRESSAVG: 1244400 38.5679 71.6018 -16.2273 68.0495 -67.5332 21.9674 -13.1922 21.8012 55.3405 TIMING: 1244400 CPU: 3614.24, 0.00298926/step Wall: 3614.24, 0.00298926/step, 3.11846 hours remaining, 203.046875 MB of memory in use. ENERGY: 1244400 711.9362 2053.0365 1933.1152 110.4725 -205681.5445 17587.7787 0.0000 0.0000 34051.2554 -149233.9500 297.3781 -183285.2053 -149141.2760 298.2955 -64.9454 -28.8904 558296.0811 8.7347 8.7917 PRESSURE: 1244600 308.212 -25.1339 19.9955 -25.1335 308.882 66.9524 19.9948 66.9528 178.291 GPRESSURE: 1244600 325.958 34.527 -21.3727 -54.4019 330.543 173.926 68.6656 27.4205 231.512 PRESSAVG: 1244600 -27.7985 16.5339 27.8427 16.5338 29.3881 46.6102 27.8427 46.6103 45.8686 GPRESSAVG: 1244600 -27.7762 14.923 27.7338 17.4625 30.7271 46.742 28.2143 45.2627 44.7225 TIMING: 1244600 CPU: 3614.82, 0.0029262/step Wall: 3614.82, 0.0029262/step, 3.05252 hours remaining, 203.539062 MB of memory in use. ENERGY: 1244600 695.1053 2116.7553 1968.3587 96.8510 -206618.3551 18231.8518 0.0000 0.0000 34287.4423 -149221.9906 299.4408 -183509.4329 -149130.4728 299.2248 265.1283 296.0042 556880.7506 15.8194 15.8912 PRESSURE: 1244800 173.024 -5.82969 164.543 -5.83004 -82.1106 -11.4492 164.543 -11.449 3.63288 GPRESSURE: 1244800 136.677 -0.82868 70.5658 -29.6757 -5.73638 9.3654 202.884 -23.0674 67.0512 PRESSAVG: 1244800 -51.072 0.825173 -45.3628 0.825129 8.63197 13.482 -45.3628 13.4819 3.00806 GPRESSAVG: 1244800 -52.7604 1.49744 -41.9818 -0.568224 8.17041 13.1647 -47.2559 14.6676 5.42162 TIMING: 1244800 CPU: 3615.41, 0.00291931/step Wall: 3615.41, 0.00291931/step, 3.04517 hours remaining, 203.539062 MB of memory in use. ENERGY: 1244800 770.2505 2056.9986 1973.0327 101.4739 -206096.0407 17813.2744 0.0000 0.0000 34267.5616 -149113.4489 299.2671 -183381.0106 -149024.3131 300.0277 31.5153 65.9973 556225.8266 -13.1440 -13.0561 PRESSURE: 1245000 -219.332 -115.679 -207.708 -115.68 -45.9617 8.82958 -207.707 8.83018 100.289 GPRESSURE: 1245000 -195.576 -21.3266 -161.356 -163.06 34.0876 -48.0662 -238.443 104.936 95.6129 PRESSAVG: 1245000 -72.4447 -19.1322 -35.129 -19.1323 27.4618 -28.0089 -35.129 -28.0088 54.0156 GPRESSAVG: 1245000 -72.2763 -20.2779 -37.3009 -15.9211 27.8113 -26.0363 -33.6223 -29.9471 53.3175 TIMING: 1245000 CPU: 3615.99, 0.00293081/step Wall: 3615.99, 0.00293081/step, 3.05699 hours remaining, 203.539062 MB of memory in use. ENERGY: 1245000 760.4388 2126.4527 1955.9611 103.8688 -206398.0835 17889.9394 0.0000 0.0000 34313.3505 -149248.0721 299.6670 -183561.4226 -149156.8037 299.0250 -55.0014 -21.9584 557897.6335 3.0109 2.9509 PRESSURE: 1245200 -89.3274 -42.438 -153.582 -42.4372 -260.726 41.9046 -153.582 41.9068 62.1347 GPRESSURE: 1245200 -23.6463 -50.8756 -192.355 -46.0027 -253.88 21.8217 -145.778 114.734 95.7024 PRESSAVG: 1245200 -28.1558 -22.2876 -6.30354 -22.2875 -2.09464 21.2466 -6.30352 21.2465 30.0769 GPRESSAVG: 1245200 -27.5613 -21.5214 -5.7261 -24.0888 -3.51385 19.6774 -5.15739 22.1484 30.5849 TIMING: 1245200 CPU: 3616.58, 0.00292176/step Wall: 3616.58, 0.00292176/step, 3.04739 hours remaining, 203.539062 MB of memory in use. ENERGY: 1245200 784.4034 2080.3883 1955.8559 110.6191 -206523.6301 17971.5789 0.0000 0.0000 34222.1790 -149398.6054 298.8708 -183620.7844 -149298.9182 298.6330 -95.9730 -60.6079 557990.9865 -0.0578 -0.1634 PRESSURE: 1245400 -98.5811 46.1064 129.578 46.1059 -124.772 -177.092 129.578 -177.092 -229.978 GPRESSURE: 1245400 -79.0392 29.779 185.192 21.3153 -125.673 -144.255 153.369 -111.948 -160.141 PRESSAVG: 1245400 -36.1118 38.2221 45.2979 38.2221 30.2242 12.6346 45.298 12.6346 14.047 GPRESSAVG: 1245400 -36.2021 37.8176 45.0147 36.5241 31.284 11.8025 44.1135 14.105 13.5505 TIMING: 1245400 CPU: 3617.16, 0.00291768/step Wall: 3617.16, 0.00291768/step, 3.04297 hours remaining, 203.539062 MB of memory in use. ENERGY: 1245400 786.4041 2106.8740 1971.3835 108.9052 -206426.1805 17773.1670 0.0000 0.0000 34337.4244 -149342.0222 299.8773 -183679.4466 -149247.1865 299.3742 -151.1102 -121.6180 557936.8423 2.7198 2.8774 PRESSURE: 1245600 -203.731 93.0155 54.9939 93.0147 -46.5122 1.21087 54.9939 1.21159 149.806 GPRESSURE: 1245600 -190.591 182.085 86.0137 25.6035 -2.14239 -27.7268 10.6159 -49.8745 190.306 PRESSAVG: 1245600 41.5594 13.9784 18.9704 13.9785 15.528 -49.4338 18.9703 -49.4338 -34.1851 GPRESSAVG: 1245600 41.5585 15.1376 17.9417 17.1246 16.407 -49.4642 20.5173 -50.1691 -34.3267 TIMING: 1245600 CPU: 3617.74, 0.00291171/step Wall: 3617.74, 0.00291171/step, 3.03659 hours remaining, 203.539062 MB of memory in use. ENERGY: 1245600 758.9200 2118.0193 1962.7726 116.0795 -206300.0262 17637.2917 0.0000 0.0000 34299.5362 -149407.4071 299.5464 -183706.9433 -149312.1672 298.9956 -33.4789 -0.8090 555334.0647 7.6341 7.8796 PRESSURE: 1245800 86.0231 -100.087 195.822 -100.087 39.1891 201.623 195.823 201.624 59.8573 GPRESSURE: 1245800 67.4916 -97.6589 177.43 -178.365 148.601 227.125 182.921 183.258 58.2221 PRESSAVG: 1245800 -45.6882 11.8205 -3.65505 11.8205 18.8978 -11.8692 -3.65514 -11.8691 26.0106 GPRESSAVG: 1245800 -44.8269 11.3348 -4.40126 8.4735 17.0648 -11.5983 -5.2505 -11.8973 27.4668 TIMING: 1245800 CPU: 3618.33, 0.00292508/step Wall: 3618.33, 0.00292508/step, 3.05037 hours remaining, 203.539062 MB of memory in use. ENERGY: 1245800 764.1793 2059.6848 1940.6988 120.1106 -206683.2884 17885.3020 0.0000 0.0000 34546.6210 -149366.6920 301.7042 -183913.3129 -149268.4750 299.6393 61.6898 91.4382 555151.9212 -0.2599 -0.0985 PRESSURE: 1246000 -135.739 53.9956 53.6395 53.9943 7.47635 44.8308 53.6397 44.8309 -78.2111 GPRESSURE: 1246000 -106.275 -40.0184 112.664 74.8977 -1.01822 29.1439 63.4152 69.3096 -5.43568 PRESSAVG: 1246000 12.7819 -4.69908 22.3246 -4.69903 -53.9687 17.9185 22.3246 17.9186 70.5192 GPRESSAVG: 1246000 12.4248 -7.42407 25.5735 -1.89027 -52.2154 18.788 21.6816 18.0557 69.2043 TIMING: 1246000 CPU: 3618.91, 0.00291869/step Wall: 3618.91, 0.00291869/step, 3.04355 hours remaining, 203.539062 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: 1246000 767.9789 2074.8721 1937.5256 113.8754 -206224.1260 17789.2851 0.0000 0.0000 34021.4322 -149519.1567 297.1176 -183540.5889 -149423.4791 298.9480 -68.8247 -37.5764 557321.0602 9.7775 9.8046 PRESSURE: 1246200 -88.3955 -42.3155 -112.628 -42.316 -15.9383 472.513 -112.627 472.512 -66.1037 GPRESSURE: 1246200 -33.4124 -63.472 -194.755 -79.9136 -5.21105 362.782 -44.8855 458.538 -35.8637 PRESSAVG: 1246200 10.1696 30.4939 8.0333 30.4939 -22.967 48.6828 8.03332 48.6827 17.3017 GPRESSAVG: 1246200 9.91728 32.0794 7.27379 28.7499 -22.83 48.221 7.28731 49.1055 17.5263 TIMING: 1246200 CPU: 3619.5, 0.00292165/step Wall: 3619.5, 0.00292165/step, 3.04647 hours remaining, 203.539062 MB of memory in use. ENERGY: 1246200 771.1921 2068.7112 1938.4996 101.8759 -206259.2555 17623.6554 0.0000 0.0000 34326.4173 -149428.9040 299.7811 -183755.3213 -149333.8578 298.7032 -56.8125 -24.8291 557519.7460 1.5014 1.5379 PRESSURE: 1246400 -43.9036 -215.743 55.9392 -215.744 -173.987 35.7517 55.9406 35.7518 51.1382 GPRESSURE: 1246400 -2.8259 -168.434 70.1129 -174.931 -138.818 52.2359 65.3385 28.9745 74.0726 PRESSAVG: 1246400 1.67036 30.7805 21.5264 30.7805 -13.1091 15.707 21.5264 15.7071 21.4266 GPRESSAVG: 1246400 2.30397 32.146 20.1883 31.8869 -13.9821 15.8359 23.0002 14.783 22.4043 TIMING: 1246400 CPU: 3620.09, 0.00295504/step Wall: 3620.09, 0.00295504/step, 3.08112 hours remaining, 203.539062 MB of memory in use. ENERGY: 1246400 750.3203 2101.9556 1967.3888 103.9937 -206180.0797 17861.1456 0.0000 0.0000 34122.9728 -149272.3028 298.0044 -183395.2756 -149178.6801 299.2690 -55.5840 -22.5238 556556.4219 3.3293 3.5754 PRESSURE: 1246600 137.7 -39.6429 -21.8281 -39.6428 14.7132 43.0805 -21.8276 43.0796 -173.614 GPRESSURE: 1246600 132.634 1.72253 -51.6542 -41.2194 58.8764 41.8181 -2.37823 100.13 -116.297 PRESSAVG: 1246600 -6.49198 -26.9564 -25.7557 -26.9564 -30.2059 71.3721 -25.7556 71.372 -7.82276 GPRESSAVG: 1246600 -5.91786 -26.5138 -23.6313 -28.4138 -28.3493 70.2752 -26.245 71.1561 -10.1529 TIMING: 1246600 CPU: 3620.67, 0.00290659/step Wall: 3620.67, 0.00290659/step, 3.03044 hours remaining, 203.539062 MB of memory in use. ENERGY: 1246600 729.9216 2029.1927 1964.8873 116.5483 -206100.6864 17806.1052 0.0000 0.0000 33988.8336 -149465.1977 296.8329 -183454.0313 -149372.3760 298.8136 -7.0672 25.0711 557551.7529 -14.8402 -14.8067 PRESSURE: 1246800 30.2585 -43.7033 -111.816 -43.7034 89.3054 148.04 -111.815 148.041 45.3446 GPRESSURE: 1246800 78.7819 -65.5019 -37.6407 13.5675 126.183 179.906 -118.284 114.141 63.7548 PRESSAVG: 1246800 72.3251 -50.0392 -69.8398 -50.0392 -7.12854 1.48939 -69.8399 1.48955 -7.74255 GPRESSAVG: 1246800 72.3814 -51.4732 -70.8571 -47.6078 -8.7266 1.29165 -70.4179 2.87579 -5.86314 TIMING: 1246800 CPU: 3621.25, 0.00291137/step Wall: 3621.25, 0.00291137/step, 3.03526 hours remaining, 203.539062 MB of memory in use. ENERGY: 1246800 732.5660 2021.8179 1971.8802 109.5399 -206675.3067 18057.5317 0.0000 0.0000 34282.8894 -149499.0817 299.4010 -183781.9711 -149398.7573 298.5745 54.9695 89.5733 557749.9658 19.1513 19.2639 PRESSURE: 1247000 -12.6915 -111.11 89.9518 -111.11 -0.415628 263.839 89.9529 263.84 -125.711 GPRESSURE: 1247000 -7.6977 -153.26 139.425 -134.187 51.4284 269.898 3.5461 290.193 -72.2154 PRESSAVG: 1247000 -51.0053 -4.29874 19.6618 -4.29881 16.0228 -45.9907 19.6618 -45.9907 21.1649 GPRESSAVG: 1247000 -52.8233 -2.53776 18.16 -6.65797 17.0081 -44.3978 18.8186 -45.5578 21.7362 TIMING: 1247000 CPU: 3621.83, 0.00291337/step Wall: 3621.83, 0.00291337/step, 3.03718 hours remaining, 203.539062 MB of memory in use. ENERGY: 1247000 750.1172 2072.4178 1948.9039 114.5050 -206287.9208 17813.5577 0.0000 0.0000 34063.8416 -149524.5776 297.4880 -183588.4192 -149424.3091 298.6197 -46.2725 -9.4949 556836.1598 -4.6058 -4.6930 PRESSURE: 1247200 -51.7061 -7.16436 6.39453 -7.16535 -92.6881 43.6373 6.39424 43.6383 -385.879 GPRESSURE: 1247200 -11.9858 59.5462 54.069 20.0335 -55.0301 -59.8752 22.9032 51.0239 -367.922 PRESSAVG: 1247200 11.7957 13.1205 -7.41667 13.1205 24.3724 1.64599 -7.41671 1.64598 -21.1436 GPRESSAVG: 1247200 12.6637 11.3815 -8.80834 15.7456 22.7691 0.680199 -6.22216 2.25626 -21.063 TIMING: 1247200 CPU: 3622.41, 0.00288673/step Wall: 3622.41, 0.00288673/step, 3.00926 hours remaining, 203.539062 MB of memory in use. ENERGY: 1247200 764.8516 2028.2054 1947.6725 110.8737 -206006.9850 17480.1411 0.0000 0.0000 34158.4377 -149516.8030 298.3141 -183675.2407 -149413.7005 298.9108 -176.7577 -144.9794 557200.3764 5.0082 4.7899 PRESSURE: 1247400 -44.765 202.537 130.577 202.538 200.753 -103.636 130.577 -103.636 127.813 GPRESSURE: 1247400 22.5681 217.525 248.546 98.3026 197.388 -23.8192 47.9685 -141.799 154.41 PRESSAVG: 1247400 18.9964 36.0735 90.2754 36.0735 25.9195 -20.4596 90.2754 -20.4596 -51.624 GPRESSAVG: 1247400 19.1812 37.343 90.0719 34.5145 25.9944 -19.7437 90.133 -21.5202 -52.0511 TIMING: 1247400 CPU: 3622.99, 0.00289994/step Wall: 3622.99, 0.00289994/step, 3.02286 hours remaining, 203.539062 MB of memory in use. ENERGY: 1247400 761.3460 2023.6574 1956.3784 125.1627 -206584.5663 18032.1131 0.0000 0.0000 34326.8660 -149359.0427 299.7851 -183685.9086 -149268.2991 299.4049 94.6004 124.7886 556617.7418 -2.2360 -2.2918 PRESSURE: 1247600 80.7108 -121.256 126.85 -121.254 -53.8776 146.064 126.849 146.065 66.3464 GPRESSURE: 1247600 117.135 -154.001 103.112 -150.231 -8.33348 76.7105 92.0828 127.784 86.2343 PRESSAVG: 1247600 -15.3422 27.5047 -2.59744 27.5046 -4.3381 -60.7371 -2.59747 -60.7369 -21.1977 GPRESSAVG: 1247600 -15.3696 24.3216 -1.68768 27.4914 -4.42845 -60.9962 -2.08671 -60.9848 -20.9866 TIMING: 1247600 CPU: 3623.58, 0.00292006/step Wall: 3623.58, 0.00292006/step, 3.04368 hours remaining, 203.539062 MB of memory in use. ENERGY: 1247600 734.0064 2078.8445 1945.7539 119.8667 -206365.5861 17819.2415 0.0000 0.0000 34205.4537 -149462.4195 298.7247 -183667.8732 -149366.2040 299.2843 31.0599 65.0119 557138.0372 -13.6260 -13.5949 PRESSURE: 1247800 115.399 39.3052 -23.0637 39.3045 238.116 -117.396 -23.0618 -117.396 140.114 GPRESSURE: 1247800 55.8407 35.866 -8.75161 22.8404 293.806 -21.9163 -37.9964 -130.364 233.544 PRESSAVG: 1247800 17.923 -0.40217 -4.73184 -0.402113 -39.9912 40.6102 -4.7319 40.6102 7.57461 GPRESSAVG: 1247800 16.6382 2.1457 -2.70811 -2.0043 -38.8518 44.0297 -6.40373 39.2171 7.64852 TIMING: 1247800 CPU: 3624.16, 0.00291379/step Wall: 3624.16, 0.00291379/step, 3.03698 hours remaining, 203.539062 MB of memory in use. ENERGY: 1247800 750.1916 2080.3677 1951.9391 110.8448 -206851.1311 18100.6589 0.0000 0.0000 34489.2946 -149367.8344 301.2036 -183857.1289 -149271.4586 298.2703 164.5426 194.3970 555955.5170 -4.8312 -4.8550 PRESSURE: 1248000 -94.8217 177.815 -40.6768 177.814 -34.0423 103.433 -40.6779 103.432 -249.555 GPRESSURE: 1248000 -66.3506 230.319 -6.09543 63.2817 -30.3109 57.1144 -26.6186 116.833 -176.317 PRESSAVG: 1248000 2.88905 3.35675 39.5517 3.35682 62.8498 42.2566 39.5517 42.2565 -38.8514 GPRESSAVG: 1248000 4.42384 5.62251 37.6036 2.66227 61.8958 41.268 40.4968 40.6551 -39.741 TIMING: 1248000 CPU: 3624.74, 0.00290097/step Wall: 3624.74, 0.00290097/step, 3.02346 hours remaining, 203.539062 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: 1248000 751.3672 2120.6970 1945.7950 102.1653 -205972.5277 17661.0033 0.0000 0.0000 34154.0370 -149237.4631 298.2757 -183391.5002 -149142.2380 298.8243 -126.1396 -90.9928 557488.6940 8.9625 8.8595 PRESSURE: 1248200 -58.6767 -111.007 -34.776 -111.006 11.0554 -38.3151 -34.776 -38.3163 29.6341 GPRESSURE: 1248200 -59.3139 -113.367 -5.66305 -28.4985 -39.8574 44.4402 -44.6143 -103.204 164.051 PRESSAVG: 1248200 -17.2119 16.7921 -46.1346 16.7921 7.19109 -43.4056 -46.1346 -43.4056 -33.6999 GPRESSAVG: 1248200 -17.4795 13.26 -45.141 18.5696 6.18662 -43.0027 -45.7023 -40.8423 -32.8734 TIMING: 1248200 CPU: 3625.32, 0.00289391/step Wall: 3625.32, 0.00289391/step, 3.01594 hours remaining, 203.539062 MB of memory in use. ENERGY: 1248200 725.0409 2092.8259 1951.8210 103.2667 -206059.4206 17617.4742 0.0000 0.0000 34197.9025 -149371.0895 298.6588 -183568.9920 -149277.0751 298.8544 -5.9957 21.6265 555772.1388 -14.5736 -14.7221 LDB: ============= START OF LOAD BALANCING ============== 3628.78 LDB: ============== END OF LOAD BALANCING =============== 3628.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.79 LDB: ============= START OF LOAD BALANCING ============== 3629.07 LDB: Largest compute 4820 load 0.029319 is 24.9% of average load 0.117567 LDB: Average compute 0.001743 is 1.5% of average load 0.117567 LDB: TIME 3629.08 LOAD: AVG 0.117567 MAX 0.177121 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.719 MB LDB: TIME 3629.08 LOAD: AVG 0.117567 MAX 0.177121 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 3629.08 LOAD: AVG 0.117567 MAX 0.177121 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: ============== END OF LOAD BALANCING =============== 3629.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3629.08 PRESSURE: 1248400 -123.089 -53.4076 -114.789 -53.4073 36.373 77.9041 -114.787 77.9048 97.9776 GPRESSURE: 1248400 -108.722 2.29509 -75.0646 -127.01 73.5171 60.5874 -65.5488 30.3746 140.118 PRESSAVG: 1248400 -43.7183 -21.86 -41.4859 -21.86 49.1606 -35.1984 -41.4859 -35.1984 22.9963 GPRESSAVG: 1248400 -43.963 -19.128 -42.0182 -22.6955 49.0379 -39.0421 -42.5653 -34.2035 23.0513 TIMING: 1248400 CPU: 3625.91, 0.00295304/step Wall: 3625.91, 0.00295304/step, 3.0774 hours remaining, 204.175781 MB of memory in use. ENERGY: 1248400 720.4180 2072.7771 1965.0502 117.1127 -206399.9893 17806.8503 0.0000 0.0000 34193.5460 -149524.2350 298.6207 -183717.7810 -149427.9505 298.8040 3.7538 34.9709 557165.8837 9.4795 9.3754 PRESSURE: 1248600 -24.1395 40.4536 -219.478 40.4529 6.8854 -147.301 -219.48 -147.301 59.244 GPRESSURE: 1248600 45.5194 121.669 -220.627 19.804 24.7598 -83.7273 -252.237 -141.982 73.4078 PRESSAVG: 1248600 -4.28252 -17.488 -80.5933 -17.488 23.6275 38.3429 -80.5933 38.343 -18.9967 GPRESSAVG: 1248600 -4.56936 -19.194 -80.6402 -15.5945 24.5685 41.2831 -80.4546 38.1568 -19.4383 TIMING: 1248600 CPU: 3626.49, 0.00290395/step Wall: 3626.49, 0.00290395/step, 3.02608 hours remaining, 204.246094 MB of memory in use. ENERGY: 1248600 739.3375 2044.7228 1970.3459 111.4723 -206400.6156 17866.6311 0.0000 0.0000 34101.0179 -149567.0881 297.8127 -183668.1060 -149468.4623 298.3036 13.9966 47.8957 555863.4890 0.1161 0.1869 PRESSURE: 1248800 168.205 223.925 -144.381 223.924 12.4019 23.9296 -144.382 23.9306 14.4996 GPRESSURE: 1248800 176.365 218.439 -165.764 251.23 17.1368 -26.4517 -143.6 136.751 98.7859 PRESSAVG: 1248800 20.2751 51.0173 -85.4313 51.0174 4.78838 -51.8808 -85.4313 -51.8808 15.0483 GPRESSAVG: 1248800 19.9048 51.1812 -86.0009 50.7553 5.06704 -50.9802 -86.0644 -54.7439 14.7927 TIMING: 1248800 CPU: 3627.07, 0.00290211/step Wall: 3627.07, 0.00290211/step, 3.024 hours remaining, 204.246094 MB of memory in use. ENERGY: 1248800 718.0560 2099.0926 1964.6102 108.4821 -206830.2883 17928.6003 0.0000 0.0000 34169.4158 -149842.0314 298.4100 -184011.4472 -149750.4752 298.1348 65.0356 97.4291 555765.5695 13.3706 13.2549 PRESSURE: 1249000 -172.508 32.2218 65.415 32.2215 -161.99 268.037 65.4163 268.037 -66.5698 GPRESSURE: 1249000 -118.277 35.6375 128 76.7598 -135.466 249.957 6.26601 309.847 -52.0808 PRESSAVG: 1249000 -16.5094 41.731 -17.0808 41.7309 22.8111 -11.4651 -17.0808 -11.4652 -18.9864 GPRESSAVG: 1249000 -15.8061 41.2441 -15.564 40.5737 21.5947 -14.0235 -16.4563 -9.08674 -18.0809 TIMING: 1249000 CPU: 3627.65, 0.00290588/step Wall: 3627.65, 0.00290588/step, 3.02777 hours remaining, 204.246094 MB of memory in use. ENERGY: 1249000 758.9392 2108.2693 1951.2939 106.0742 -206239.0226 17586.4550 0.0000 0.0000 34037.5356 -149690.4553 297.2583 -183727.9909 -149594.5129 298.1572 -133.6893 -101.9412 555474.4823 -4.2282 -4.0974 PRESSURE: 1249200 48.5161 -181.466 29.0488 -181.466 69.7111 5.82593 29.0486 5.82701 -124.55 GPRESSURE: 1249200 87.2896 -103.906 30.1952 -215.281 102.222 15.8701 24.1928 -65.4589 -94.9341 PRESSAVG: 1249200 40.091 24.977 4.50498 24.977 42.1556 47.9659 4.50496 47.966 -23.9322 GPRESSAVG: 1249200 38.8306 27.2462 4.70567 23.7504 42.9868 48.1926 4.5361 49.1065 -23.3102 TIMING: 1249200 CPU: 3628.24, 0.00292516/step Wall: 3628.24, 0.00292516/step, 3.04769 hours remaining, 204.371094 MB of memory in use. ENERGY: 1249200 717.7068 2022.7070 1957.1672 113.3818 -206623.0138 17817.9642 0.0000 0.0000 34353.3417 -149640.7451 300.0163 -183994.0868 -149546.7039 298.2122 -2.1074 31.5258 554624.4643 19.4381 19.5024 PRESSURE: 1249400 244.907 -46.2176 -88.2249 -46.2172 147.408 -37.0646 -88.2253 -37.0641 239.499 GPRESSURE: 1249400 330.439 -55.4192 -71.9525 -70.6226 142.545 0.292474 -174.925 -77.4688 262.673 PRESSAVG: 1249400 12.1933 19.2573 -74.4267 19.2573 32.5918 -32.2301 -74.4267 -32.2301 -29.2746 GPRESSAVG: 1249400 14.1401 17.0546 -73.8888 20.1401 33.4286 -30.0915 -73.4332 -32.46 -32.1889 TIMING: 1249400 CPU: 3628.81, 0.00289433/step Wall: 3628.81, 0.00289433/step, 3.01541 hours remaining, 204.371094 MB of memory in use. ENERGY: 1249400 748.0838 2040.6042 1964.8063 108.6691 -206574.0382 18114.3055 0.0000 0.0000 33938.1315 -149659.4379 296.3901 -183597.5694 -149566.3402 297.4920 210.6044 245.2189 554890.3019 5.1702 5.1266 PRESSURE: 1249600 382.99 -13.0103 67.9872 -13.0102 128.956 37.8617 67.9869 37.8634 54.6094 GPRESSURE: 1249600 496.873 -4.06442 28.6953 -64.3342 137.732 43.8955 74.5608 -18.9672 40.3355 PRESSAVG: 1249600 121.01 -0.199757 36.053 -0.199735 -33.4421 29.2581 36.053 29.2581 -68.1179 GPRESSAVG: 1249600 119.802 -1.01003 33.4926 1.62284 -34.295 29.2056 37.7136 25.2298 -66.1053 TIMING: 1249600 CPU: 3629.39, 0.0028991/step Wall: 3629.39, 0.0028991/step, 3.02022 hours remaining, 204.371094 MB of memory in use. ENERGY: 1249600 711.6337 2038.7917 1943.4779 108.8939 -206454.5339 18024.8140 0.0000 0.0000 33924.9091 -149702.0135 296.2747 -183626.9225 -149609.1988 296.8625 188.8520 224.9801 554847.4700 6.4834 6.4671 PRESSURE: 1249800 -32.5556 113.365 74.1577 113.366 -37.5409 -197.331 74.1576 -197.329 104.892 GPRESSURE: 1249800 20.3036 87.1616 100.473 54.6996 -20.2093 -149.198 109.567 -271.658 127.844 PRESSAVG: 1249800 64.1069 31.3785 36.0041 31.3785 -1.46205 15.9325 36.0042 15.9326 -33.4171 GPRESSAVG: 1249800 64.1867 31.6091 37.7099 31.1121 -1.80734 13.2793 33.4343 19.4462 -33.4513 TIMING: 1249800 CPU: 3629.98, 0.00291053/step Wall: 3629.98, 0.00291053/step, 3.03196 hours remaining, 204.371094 MB of memory in use. ENERGY: 1249800 757.0835 2046.3842 1945.2629 100.9931 -206356.4115 17789.3836 0.0000 0.0000 34170.5506 -149546.7536 298.4199 -183717.3042 -149446.1170 297.6834 11.5984 42.6459 555987.1623 9.7426 9.6427 PRESSURE: 1250000 324.103 190.762 189.423 190.764 290.644 -66.3445 189.424 -66.3416 68.5756 GPRESSURE: 1250000 388.408 196.046 205.775 165.553 346.575 -69.4182 153.475 -37.0337 37.0383 PRESSAVG: 1250000 51.1339 40.3813 63.7437 40.3813 23.3994 24.5617 63.7437 24.5619 -111.975 GPRESSAVG: 1250000 52.3779 42.4117 64.6948 37.9634 23.268 28.4626 64.1063 23.3923 -113.1 TIMING: 1250000 CPU: 3630.56, 0.00290872/step Wall: 3630.56, 0.00290872/step, 3.02992 hours remaining, 204.378906 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: 1250000 720.5213 2131.9798 1951.6291 117.1115 -206743.1071 18092.2774 0.0000 0.0000 34191.4142 -149538.1738 298.6021 -183729.5880 -149443.7501 297.6809 227.7742 257.3404 555270.2816 -12.4806 -12.4847 PRESSURE: 1250200 223.599 18.1509 109.19 18.1525 76.7815 126.172 109.19 126.171 -12.9007 GPRESSURE: 1250200 205.24 -37.6313 82.0822 -19.0058 137.581 55.4595 49.4774 208.921 31.008 PRESSAVG: 1250200 24.4556 25.1075 14.9836 25.1075 44.7006 -11.8178 14.9837 -11.8178 -75.2111 GPRESSAVG: 1250200 23.1562 25.4392 13.1557 26.9515 46.1379 -13.7219 14.4481 -11.2219 -75.6629 TIMING: 1250200 CPU: 3631.14, 0.00289221/step Wall: 3631.14, 0.00289221/step, 3.01256 hours remaining, 204.378906 MB of memory in use. ENERGY: 1250200 754.0720 2052.4326 1945.8403 101.0883 -206422.9652 18117.2935 0.0000 0.0000 34151.9774 -149300.2611 298.2577 -183452.2385 -149207.0220 298.3499 95.8265 124.6095 558454.8377 -2.0183 -2.1229 PRESSURE: 1250400 -69.7574 126.764 -107.623 126.764 88.4027 66.0947 -107.623 66.0936 271.114 GPRESSURE: 1250400 -76.0655 188.971 -36.9649 130.079 171.719 51.7362 -247.45 -24.8416 289.036 PRESSAVG: 1250400 12.8106 30.221 -58.6811 30.2209 -17.7655 -21.963 -58.6812 -21.9632 19.8764 GPRESSAVG: 1250400 12.3524 30.8573 -57.2471 29.6272 -17.0123 -21.9775 -60.8445 -22.6999 19.9014 TIMING: 1250400 CPU: 3631.72, 0.00290694/step Wall: 3631.72, 0.00290694/step, 3.02774 hours remaining, 204.378906 MB of memory in use. ENERGY: 1250400 736.5776 2064.7961 1964.1297 99.6449 -206308.8925 18010.7301 0.0000 0.0000 34132.7572 -149300.2569 298.0899 -183433.0141 -149208.7529 298.3365 96.5863 128.2299 558249.3185 4.9738 5.0805 PRESSURE: 1250600 1.74177 80.7745 91.2477 80.7765 -154.942 82.3689 91.2478 82.3674 -40.2043 GPRESSURE: 1250600 41.5773 81.5627 120.031 -45.8691 -67.6101 81.7494 -9.69324 57.6476 -62.2619 PRESSAVG: 1250600 -42.7513 41.4553 -0.848792 41.4553 42.8935 -9.43202 -0.848689 -9.432 -15.6439 GPRESSAVG: 1250600 -42.3495 38.8827 -1.14597 43.9464 40.539 -10.1289 1.86809 -8.8054 -13.7106 TIMING: 1250600 CPU: 3632.3, 0.0029156/step Wall: 3632.3, 0.0029156/step, 3.0366 hours remaining, 204.417969 MB of memory in use. ENERGY: 1250600 724.7309 2071.1127 1936.3826 114.5941 -206245.2124 17937.1311 0.0000 0.0000 34283.0154 -149178.2455 299.4021 -183461.2609 -149076.1332 299.0492 -64.4682 -29.4316 558563.5686 -5.1673 -5.1737 PRESSURE: 1250800 133.832 131.634 -80.8112 131.635 284.393 -1.95397 -80.8106 -1.95245 -165.929 GPRESSURE: 1250800 234.811 153.443 -45.1668 117.687 247.247 -62.0635 -112.774 -12.909 -138.258 PRESSAVG: 1250800 -30.2501 32.0748 -27.5681 32.0748 -18.0566 -15.4838 -27.5681 -15.4838 33.6256 GPRESSAVG: 1250800 -30.4503 33.0443 -28.9745 31.0831 -17.4047 -16.4323 -26.1573 -14.5594 32.7412 TIMING: 1250800 CPU: 3632.88, 0.00290095/step Wall: 3632.88, 0.00290095/step, 3.02117 hours remaining, 204.417969 MB of memory in use. ENERGY: 1250800 767.7773 2043.1832 1960.8992 94.6381 -206229.8230 17864.0816 0.0000 0.0000 34303.7201 -149195.5234 299.5829 -183499.2436 -149104.4647 299.4826 84.0989 114.5999 558795.0443 -4.8937 -5.0379 PRESSURE: 1251000 314.756 -43.6132 -3.53591 -43.6131 121.393 139.954 -3.53512 139.953 -42.4799 GPRESSURE: 1251000 308.595 -55.1064 49.8565 -48.2399 114.942 71.2465 16.1487 192.196 56.1082 PRESSAVG: 1251000 -76.264 -43.252 11.6064 -43.252 13.3786 19.0503 11.6063 19.0504 10.2114 GPRESSAVG: 1251000 -75.3526 -43.1703 13.5083 -42.6184 13.8273 20.5518 8.02184 18.2432 9.49055 TIMING: 1251000 CPU: 3633.46, 0.00289264/step Wall: 3633.46, 0.00289264/step, 3.01236 hours remaining, 204.417969 MB of memory in use. ENERGY: 1251000 756.1702 2104.1244 1951.3664 104.1398 -206346.0025 17958.0995 0.0000 0.0000 34153.3941 -149318.7081 298.2701 -183472.1022 -149221.5950 298.9993 131.2228 159.8818 557508.3014 -17.5580 -17.3449 PRESSURE: 1251200 -112.078 -87.3862 -10.0891 -87.3868 -1.09428 28.7319 -10.0878 28.7331 67.68 GPRESSURE: 1251200 -109.945 21.2056 -8.46952 -80.0682 28.6166 101.768 16.1708 -26.6678 135.923 PRESSAVG: 1251200 -79.94 -56.4487 -46.7096 -56.4487 48.631 38.5952 -46.7097 38.5953 46.6955 GPRESSAVG: 1251200 -81.1614 -55.4746 -47.0167 -57.4997 49.0557 37.4243 -46.2788 39.1457 47.8737 TIMING: 1251200 CPU: 3634.04, 0.00289644/step Wall: 3634.04, 0.00289644/step, 3.01616 hours remaining, 204.417969 MB of memory in use. ENERGY: 1251200 749.8182 2068.9118 1927.8817 110.8692 -206214.0012 17732.5834 0.0000 0.0000 34349.0981 -149274.8388 299.9792 -183623.9369 -149177.4801 298.8953 -15.1640 18.1982 558126.9450 5.1288 5.2560 PRESSURE: 1251400 305.538 22.9748 -101.207 22.975 243.961 136.873 -101.208 136.873 -18.9177 GPRESSURE: 1251400 339.912 27.2651 14.0678 -55.0591 295.094 122.647 -129.627 123.93 -26.2137 PRESSAVG: 1251400 -57.9478 -14.644 -7.52942 -14.6441 -8.47823 -18.8091 -7.52948 -18.809 67.1811 GPRESSAVG: 1251400 -56.7611 -16.3462 -8.0787 -13.9152 -9.77388 -19.0088 -7.98382 -19.0268 66.7237 TIMING: 1251400 CPU: 3634.62, 0.00288845/step Wall: 3634.62, 0.00288845/step, 3.00768 hours remaining, 204.417969 MB of memory in use. ENERGY: 1251400 750.1927 2095.4804 1952.5414 112.8864 -206746.8211 18164.4673 0.0000 0.0000 34170.0857 -149501.1672 298.4159 -183671.2529 -149408.5628 298.1113 176.8605 202.9308 556977.3848 0.2517 0.0629 PRESSURE: 1251600 420.971 -122.58 110.334 -122.581 231.598 129.399 110.334 129.399 18.5433 GPRESSURE: 1251600 471.803 -47.6824 86.4364 -228.529 255.747 101.686 103.366 149.134 39.8947 PRESSAVG: 1251600 -2.35909 4.69214 8.59571 4.69215 -10.6734 40.1614 8.59557 40.1613 16.4878 GPRESSAVG: 1251600 -2.77793 6.97402 8.77905 2.68802 -9.49095 41.9836 11.0588 39.476 15.9963 TIMING: 1251600 CPU: 3635.19, 0.00289043/step Wall: 3635.19, 0.00289043/step, 3.00958 hours remaining, 204.417969 MB of memory in use. ENERGY: 1251600 713.3576 2085.5653 1965.2080 127.5119 -206995.7599 18333.2492 0.0000 0.0000 34288.2460 -149482.6218 299.4478 -183770.8678 -149384.1059 298.4651 223.7040 255.8149 556991.8209 1.1518 1.2425 PRESSURE: 1251800 -68.8388 15.4703 68.6911 15.4712 -177.615 -4.18384 68.6909 -4.18359 -48.9479 GPRESSURE: 1251800 -3.11884 -23.0982 73.8866 53.2138 -129.567 10.4579 46.726 -35.0165 -45.3785 PRESSAVG: 1251800 -29.8782 57.1431 1.78924 57.1431 -16.2995 -1.19747 1.78922 -1.19744 2.33584 GPRESSAVG: 1251800 -30.3333 55.8083 2.04062 59.4574 -16.786 -1.48424 -0.269322 -2.3047 2.97191 TIMING: 1251800 CPU: 3635.77, 0.00287728/step Wall: 3635.77, 0.00287728/step, 2.99572 hours remaining, 204.417969 MB of memory in use. ENERGY: 1251800 732.7003 2097.3685 1950.1109 115.8372 -206323.8446 17735.3499 0.0000 0.0000 34192.2679 -149500.2098 298.6096 -183692.4777 -149408.0228 298.2766 -98.4672 -59.3546 558180.2155 -14.6140 -14.7158 PRESSURE: 1252000 -152.871 35.7504 115.401 35.7488 89.3663 84.3375 115.401 84.3357 98.1357 GPRESSURE: 1252000 -101.942 68.2855 151.039 47.8862 112.584 67.4571 119.943 100.861 110.821 PRESSAVG: 1252000 47.0881 44.302 27.1196 44.302 -80.6261 40.7959 27.1197 40.7959 6.72479 GPRESSAVG: 1252000 48.0822 44.948 28.1435 43.2566 -81.3397 39.9495 27.0083 42.308 5.66564 TIMING: 1252000 CPU: 3636.35, 0.00290539/step Wall: 3636.35, 0.00290539/step, 3.02483 hours remaining, 204.417969 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: 1252000 752.7820 2133.0160 1966.6549 107.6171 -206678.4275 18034.2939 0.0000 0.0000 34082.8115 -149601.2520 297.6537 -183684.0635 -149513.8597 297.2364 11.5438 40.4876 558229.2357 -8.9377 -9.1973 PRESSURE: 1252200 -329.258 78.0483 238.067 78.0492 -214.203 25.4158 238.067 25.4165 -359.815 GPRESSURE: 1252200 -239.498 30.9272 249.583 123.44 -194.958 -16.8495 185.383 40.0595 -368.992 PRESSAVG: 1252200 -42.0086 26.1398 46.855 26.1398 8.44286 48.5896 46.855 48.5896 -23.9261 GPRESSAVG: 1252200 -42.774 27.3339 47.8878 27.1516 8.15369 50.3694 46.0562 49.4707 -23.0549 TIMING: 1252200 CPU: 3636.93, 0.00291042/step Wall: 3636.93, 0.00291042/step, 3.02991 hours remaining, 204.417969 MB of memory in use. ENERGY: 1252200 745.7955 2102.4542 1935.1035 106.5412 -206091.5202 17532.6130 0.0000 0.0000 34102.1782 -149566.8346 297.8228 -183669.0127 -149465.7331 298.1964 -301.0917 -267.8160 558113.9208 -19.1639 -19.2251 LDB: ============= START OF LOAD BALANCING ============== 3640.4 LDB: ============== END OF LOAD BALANCING =============== 3640.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.4 LDB: ============= START OF LOAD BALANCING ============== 3640.69 LDB: Largest compute 4821 load 0.029116 is 24.8% of average load 0.117588 LDB: Average compute 0.001740 is 1.5% of average load 0.117588 LDB: TIME 3640.69 LOAD: AVG 0.117588 MAX 0.180943 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.957 MB LDB: TIME 3640.69 LOAD: AVG 0.117588 MAX 0.180943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: TIME 3640.69 LOAD: AVG 0.117588 MAX 0.180943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3640.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.7 PRESSURE: 1252400 164.884 -88.8015 53.9659 -88.8006 45.7195 -58.8852 53.9666 -58.8851 -137.019 GPRESSURE: 1252400 198.465 -121.766 -5.72957 -132.065 55.1655 -97.0004 49.9302 -35.7021 -85.8852 PRESSAVG: 1252400 37.256 -54.7045 78.6098 -54.7045 -18.649 -12.9849 78.6097 -12.985 -19.7357 GPRESSAVG: 1252400 35.6933 -55.4703 76.033 -56.131 -16.5554 -13.2172 82.1436 -13.3728 -20.2527 TIMING: 1252400 CPU: 3637.52, 0.00294684/step Wall: 3637.52, 0.00294684/step, 3.06766 hours remaining, 204.296875 MB of memory in use. ENERGY: 1252400 728.6613 2120.9337 1949.8080 123.3792 -206495.2255 17922.7314 0.0000 0.0000 34051.4155 -149598.2965 297.3795 -183649.7120 -149506.1124 298.4049 24.5283 55.9150 557259.1165 -0.3762 -0.3716 PRESSURE: 1252600 243.975 -14.9379 -144.871 -14.9375 92.2834 -44.0866 -144.869 -44.0877 -262.018 GPRESSURE: 1252600 265.595 15.5082 -73.5845 71.6911 112.852 -9.22346 -139.957 2.27427 -205.668 PRESSAVG: 1252600 39.4214 -15.5708 -18.6247 -15.5707 13.1179 -34.2795 -18.6247 -34.2795 -60.3859 GPRESSAVG: 1252600 42.53 -15.9634 -17.4022 -14.0785 10.3592 -33.905 -22.115 -33.9837 -60.0167 TIMING: 1252600 CPU: 3638.1, 0.00288451/step Wall: 3638.1, 0.00288451/step, 3.00262 hours remaining, 204.496094 MB of memory in use. ENERGY: 1252600 763.4471 2097.9944 1978.9802 110.0287 -206750.3004 17933.8263 0.0000 0.0000 34279.2936 -149586.7302 299.3696 -183866.0238 -149501.4846 298.5028 24.7468 57.5932 557809.3185 -2.6155 -2.3758 PRESSURE: 1252800 104.173 -99.7055 141.906 -99.7054 -112.457 -53.5902 141.906 -53.5905 137.822 GPRESSURE: 1252800 93.3676 -55.8314 210.887 -112.94 -64.1755 7.24691 150.662 -65.985 195.424 PRESSAVG: 1252800 57.6828 -27.302 -5.84024 -27.302 -81.0754 19.168 -5.84032 19.168 -15.1147 GPRESSAVG: 1252800 56.4168 -27.9279 -5.57249 -26.8591 -79.824 18.5118 -5.06062 19.6622 -15.2816 TIMING: 1252800 CPU: 3638.68, 0.00289225/step Wall: 3638.68, 0.00289225/step, 3.01051 hours remaining, 204.496094 MB of memory in use. ENERGY: 1252800 738.6027 2129.5127 1978.5749 111.1819 -207012.7826 18106.5537 0.0000 0.0000 34392.2737 -149556.0830 300.3563 -183948.3567 -149462.6995 298.0795 43.1793 74.8721 557537.0163 -12.8358 -12.8963 PRESSURE: 1253000 16.6488 -81.2029 164.672 -81.2038 -176.611 72.3081 164.672 72.3079 -321.359 GPRESSURE: 1253000 69.865 -7.57322 160.139 -79.8464 -123.931 21.6081 89.9704 23.6858 -330.913 PRESSAVG: 1253000 55.1229 7.65788 -20.213 7.65794 -75.5542 -39.9082 -20.2131 -39.9082 34.3516 GPRESSAVG: 1253000 54.1612 9.26018 -20.4761 6.28933 -74.6797 -40.1104 -19.9727 -41.6225 33.6369 TIMING: 1253000 CPU: 3639.25, 0.00287687/step Wall: 3639.25, 0.00287687/step, 2.99434 hours remaining, 204.496094 MB of memory in use. ENERGY: 1253000 752.9882 2128.2228 1969.1759 106.5361 -206395.8535 17624.9228 0.0000 0.0000 34201.1337 -149612.8739 298.6870 -183814.0077 -149511.8134 298.9993 -160.4405 -128.3261 556893.5401 4.6401 4.3728 PRESSURE: 1253200 -270.861 14.6979 -26.6107 14.6985 98.0159 -6.32756 -26.6106 -6.32749 72.5993 GPRESSURE: 1253200 -252.812 14.6026 -61.9998 -16.3217 156.441 -44.9581 4.61328 -8.76263 96.5934 PRESSAVG: 1253200 -36.6328 -69.9111 25.7469 -69.9111 32.2254 35.6115 25.7469 35.6114 35.1534 GPRESSAVG: 1253200 -36.2702 -68.8596 26.5231 -70.8948 31.4481 34.6029 25.8171 37.7273 35.9149 TIMING: 1253200 CPU: 3639.83, 0.00287886/step Wall: 3639.83, 0.00287886/step, 2.99626 hours remaining, 204.496094 MB of memory in use. ENERGY: 1253200 737.3176 2098.4816 1950.8646 116.9671 -206059.7566 17668.0150 0.0000 0.0000 33919.6687 -149568.4420 296.2289 -183488.1107 -149469.1381 298.3854 -33.4153 0.0743 557083.8892 10.2487 10.3643 PRESSURE: 1253400 38.9236 -106.292 -25.2682 -106.292 2.28197 11.2109 -25.269 11.2096 161.159 GPRESSURE: 1253400 64.5158 -93.4466 -93.4234 -84.368 37.6086 78.2961 -43.7052 -4.50363 192.434 PRESSAVG: 1253400 6.93163 24.4889 -0.409823 24.4888 -10.7771 -75.0568 -0.409825 -75.0567 -14.9306 GPRESSAVG: 1253400 9.22656 23.6043 0.0129824 25.6111 -12.6932 -74.3036 -0.0128194 -75.6402 -15.2007 TIMING: 1253400 CPU: 3640.41, 0.002899/step Wall: 3640.41, 0.002899/step, 3.01705 hours remaining, 204.496094 MB of memory in use. ENERGY: 1253400 746.6438 2079.8221 1930.7139 109.2036 -206815.4992 18107.6049 0.0000 0.0000 34185.1806 -149656.3304 298.5477 -183841.5110 -149562.7804 298.2023 67.4549 98.1861 557572.6743 -6.2587 -6.2224 PRESSURE: 1253600 114.029 86.3499 4.49605 86.3504 108.735 36.4707 4.49689 36.4692 -116.79 GPRESSURE: 1253600 135.852 32.5746 14.4745 93.1032 141.801 -8.06349 33.199 40.6869 -65.9896 PRESSAVG: 1253600 68.2365 -21.5279 -30.3171 -21.5279 -83.3419 -30.89 -30.3171 -30.8901 49.4669 GPRESSAVG: 1253600 66.114 -23.3754 -31.2545 -21.4609 -82.1859 -29.7991 -30.4825 -31.6898 50.1831 TIMING: 1253600 CPU: 3640.99, 0.0029021/step Wall: 3640.99, 0.0029021/step, 3.02012 hours remaining, 204.496094 MB of memory in use. ENERGY: 1253600 687.7538 2072.8471 1928.6384 106.0812 -206669.4962 17965.5091 0.0000 0.0000 34189.9588 -149718.7077 298.5894 -183908.6665 -149617.8171 298.0639 35.3248 70.5545 557023.5792 11.4538 11.3704 PRESSURE: 1253800 -240.462 85.6211 12.3938 85.6211 97.4164 -57.9046 12.3929 -57.9052 184.383 GPRESSURE: 1253800 -150.594 131.294 15.7261 168.05 79.1458 72.8534 64.9332 -118.816 213.494 PRESSAVG: 1253800 36.2881 43.3449 -35.6538 43.3449 3.63303 31.2949 -35.6538 31.2949 12.4626 GPRESSAVG: 1253800 37.4169 43.7572 -35.1436 42.8235 3.5463 31.3885 -35.0234 31.115 11.3643 TIMING: 1253800 CPU: 3641.57, 0.0029103/step Wall: 3641.57, 0.0029103/step, 3.02849 hours remaining, 204.496094 MB of memory in use. ENERGY: 1253800 761.0078 2075.6886 1951.4652 105.4178 -206701.1758 18034.0493 0.0000 0.0000 33992.4690 -149781.0781 296.8647 -183773.5470 -149680.3070 297.8831 13.7791 47.3488 557885.6913 17.4612 17.4425 PRESSURE: 1254000 -145.032 -51.0463 3.85267 -51.0446 -255.341 -54.8664 3.85284 -54.8668 -214.348 GPRESSURE: 1254000 -85.7935 -88.0087 -27.5157 3.8781 -255.649 -18.4474 49.1804 -65.076 -178.146 PRESSAVG: 1254000 10.5213 6.02457 -11.8948 6.02455 -32.6134 10.0044 -11.8948 10.0044 -9.58086 GPRESSAVG: 1254000 10.0933 6.21771 -13.9746 7.46421 -31.9281 10.0015 -10.2544 8.91644 -9.31243 TIMING: 1254000 CPU: 3642.15, 0.00289881/step Wall: 3642.15, 0.00289881/step, 3.01637 hours remaining, 204.566406 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: 1254000 702.1436 2167.2031 1950.9746 113.6548 -206296.9176 17505.3266 0.0000 0.0000 34039.5759 -149818.0390 297.2761 -183857.6149 -149716.3598 296.9436 -204.9070 -173.1961 558853.3738 -10.5577 -10.3824 PRESSURE: 1254200 11.147 -124.206 -63.0703 -124.206 311.333 52.7929 -63.0705 52.7929 278.959 GPRESSURE: 1254200 74.2323 -70.6653 -100.043 -98.0255 306.272 118.146 -47.7852 30.4892 315.38 PRESSAVG: 1254200 -11.2576 -34.6183 18.0316 -34.6182 -1.52882 -9.96566 18.0317 -9.96563 20.4209 GPRESSAVG: 1254200 -11.9172 -34.957 18.491 -35.3323 -0.359571 -9.61573 13.6425 -7.55399 20.6749 TIMING: 1254200 CPU: 3642.73, 0.00289231/step Wall: 3642.73, 0.00289231/step, 3.00945 hours remaining, 204.566406 MB of memory in use. ENERGY: 1254200 721.3859 2071.0828 1924.4416 109.3327 -207058.6569 18268.7140 0.0000 0.0000 34224.5567 -149739.1432 298.8916 -183963.6999 -149644.5638 297.9233 200.4796 231.9613 555557.8513 2.5448 2.7994 PRESSURE: 1254400 -88.0131 143.254 -173.092 143.253 -33.2454 -16.4153 -173.093 -16.4162 -10.2122 GPRESSURE: 1254400 -78.2653 133.187 -36.8749 119.519 19.8286 -29.5696 -176.491 2.62301 38.5614 PRESSAVG: 1254400 9.18839 18.6858 14.8179 18.6858 -27.0821 3.04608 14.818 3.04618 32.7693 GPRESSAVG: 1254400 10.8916 18.6385 15.6036 19.259 -27.4264 -0.199547 18.6665 4.4882 31.5499 TIMING: 1254400 CPU: 3643.31, 0.00289005/step Wall: 3643.31, 0.00289005/step, 3.00694 hours remaining, 204.566406 MB of memory in use. ENERGY: 1254400 763.8664 2081.5568 1934.9647 101.3964 -206369.1466 17789.6368 0.0000 0.0000 34070.6902 -149627.0353 297.5478 -183697.7255 -149532.5683 298.0309 -43.8236 -6.6251 557043.6688 4.9585 5.0051 PRESSURE: 1254600 178.149 5.1081 23.3105 5.10817 219.815 74.337 23.3121 74.3363 -55.7004 GPRESSURE: 1254600 207.631 -25.4424 7.78737 19.874 220.125 115.812 55.6543 85.4424 12.4253 PRESSAVG: 1254600 -8.05046 37.666 27.4112 37.6662 -49.4575 42.7053 27.4112 42.7054 49.3577 GPRESSAVG: 1254600 -9.40216 38.7401 28.2458 35.761 -49.8874 47.4529 27.835 39.587 51.1631 TIMING: 1254600 CPU: 3643.89, 0.00289306/step Wall: 3643.89, 0.00289306/step, 3.0099 hours remaining, 204.566406 MB of memory in use. ENERGY: 1254600 733.9218 2086.0001 1948.9082 120.9374 -206783.0133 18148.3284 0.0000 0.0000 33994.7585 -149750.1590 296.8847 -183744.9175 -149651.8755 298.0398 114.0880 146.7270 556760.6250 -2.7168 -2.7088 PRESSURE: 1254800 194.871 58.8805 -118.868 58.8811 111.39 39.4141 -118.868 39.414 -81.5236 GPRESSURE: 1254800 209.812 110.831 -60.53 52.4734 149.895 41.0778 -146.901 68.8411 -39.035 PRESSAVG: 1254800 15.1771 7.07609 -8.10355 7.07607 24.0273 -35.7095 -8.10351 -35.7094 -54.1804 GPRESSAVG: 1254800 14.7761 5.54278 -9.21888 7.52925 23.9385 -38.7258 -10.0361 -33.8696 -53.4915 TIMING: 1254800 CPU: 3644.47, 0.00290398/step Wall: 3644.47, 0.00290398/step, 3.02111 hours remaining, 204.566406 MB of memory in use. ENERGY: 1254800 760.3686 2072.6065 1934.1546 103.2703 -206682.9029 18004.8791 0.0000 0.0000 34262.2270 -149545.3968 299.2206 -183807.6238 -149453.2466 298.1097 74.9125 106.8908 556893.9565 -4.9920 -4.9257 PRESSURE: 1255000 -183.525 -70.9232 143.22 -70.9238 7.68424 -80.0294 143.222 -80.0297 143.844 GPRESSURE: 1255000 -72.8337 -100.487 114.847 20.4893 -25.2039 -50.8314 156.07 -113.186 161.848 PRESSAVG: 1255000 51.1387 -12.1584 30.3317 -12.1584 -1.24092 3.60401 30.3317 3.60389 15.7644 GPRESSAVG: 1255000 52.6575 -11.0119 30.3443 -11.7811 -2.13696 5.03837 31.5344 4.44748 14.8275 TIMING: 1255000 CPU: 3645.05, 0.00290452/step Wall: 3645.05, 0.00290452/step, 3.02151 hours remaining, 204.566406 MB of memory in use. ENERGY: 1255000 750.5474 2113.2174 1955.0414 115.2569 -206160.1600 17834.5656 0.0000 0.0000 33920.0576 -149471.4738 296.2323 -183391.5314 -149383.4755 297.7715 -10.6656 21.2702 558310.4341 21.8874 21.7827 PRESSURE: 1255200 -16.9743 60.9378 53.0815 60.9392 -137.746 -48.1308 53.0808 -48.1314 -107.482 GPRESSURE: 1255200 37.8112 59.6124 28.266 82.0979 -102.458 -55.3804 39.0971 -106.979 -100.864 PRESSAVG: 1255200 7.10662 23.5018 26.8845 23.5018 3.16387 30.0997 26.8845 30.0996 1.11111 GPRESSAVG: 1255200 7.31077 23.9441 25.2718 22.8106 2.69415 28.1992 26.6383 30.9877 1.6179 TIMING: 1255200 CPU: 3645.62, 0.00288438/step Wall: 3645.62, 0.00288438/step, 3.00039 hours remaining, 204.566406 MB of memory in use. ENERGY: 1255200 716.0032 2110.8366 1963.1838 105.5515 -206526.2307 17814.6214 0.0000 0.0000 34349.3078 -149466.7262 299.9810 -183816.0341 -149366.7088 298.7148 -87.4007 -55.1702 557915.2064 3.7939 3.8743 PRESSURE: 1255400 72.8124 -157.293 127.548 -157.293 9.1407 -7.23282 127.548 -7.2336 161.748 GPRESSURE: 1255400 196.244 -98.5616 114.76 -94.5022 -24.8191 44.5176 125.605 -21.9198 166.052 PRESSAVG: 1255400 12.2359 -23.5275 35.7646 -23.5276 -19.1348 -37.1616 35.7647 -37.1615 -21.8518 GPRESSAVG: 1255400 12.9045 -23.321 39.1342 -22.8999 -17.1667 -36.165 33.5864 -37.2577 -24.0999 TIMING: 1255400 CPU: 3646.21, 0.00291833/step Wall: 3646.21, 0.00291833/step, 3.03555 hours remaining, 204.566406 MB of memory in use. ENERGY: 1255400 737.1507 2106.6865 1955.8708 122.3801 -206382.2564 17920.8370 0.0000 0.0000 34049.9349 -149489.3964 297.3666 -183539.3313 -149398.6111 298.4074 81.2339 112.4924 557356.1848 -9.5836 -9.4540 PRESSURE: 1255600 109.993 -47.5698 37.1535 -47.57 -59.4846 102.082 37.1529 102.084 226.226 GPRESSURE: 1255600 212.152 17.4026 -86.6881 -50.969 -75.2367 19.9563 78.0953 73.8523 241.908 PRESSAVG: 1255600 100.404 -39.2931 18.2066 -39.2931 -7.94966 -30.9806 18.2066 -30.9806 -52.2144 GPRESSAVG: 1255600 99.6392 -39.9608 15.6549 -38.8384 -9.49327 -31.8133 18.1438 -32.951 -50.7757 TIMING: 1255600 CPU: 3646.8, 0.00293482/step Wall: 3646.8, 0.00293482/step, 3.05254 hours remaining, 204.566406 MB of memory in use. ENERGY: 1255600 735.4980 2082.8214 1955.8856 117.0019 -206705.2501 17957.1934 0.0000 0.0000 34173.1476 -149683.7021 298.4426 -183856.8497 -149594.0660 298.4226 92.2448 126.2747 555972.0597 13.4133 13.1234 PRESSURE: 1255800 14.3276 -116.374 79.6653 -116.375 97.7382 -230.585 79.6643 -230.584 38.219 GPRESSURE: 1255800 93.5021 -118.464 46.659 -126.515 111.391 -134.978 59.433 -313.392 41.4841 PRESSAVG: 1255800 -5.35444 -34.0725 15.2676 -34.0725 0.351427 -102.188 15.2676 -102.188 -55.6662 GPRESSAVG: 1255800 -4.55202 -33.1267 14.8375 -34.6572 0.435036 -101.855 17.5784 -101.077 -57.2899 TIMING: 1255800 CPU: 3647.38, 0.0029147/step Wall: 3647.38, 0.0029147/step, 3.03145 hours remaining, 204.566406 MB of memory in use. ENERGY: 1255800 776.0572 2066.0706 1930.4651 112.9241 -206505.5735 17992.8482 0.0000 0.0000 34050.8322 -149576.3761 297.3744 -183627.2083 -149489.0235 298.0113 50.0949 82.1258 556569.4108 -20.2231 -20.4690 PRESSURE: 1256000 -145.132 -113.359 65.4667 -113.359 -33.0212 12.377 65.4669 12.3772 130.313 GPRESSURE: 1256000 -133.989 -113.189 -11.863 -89.5239 3.0744 30.236 113.396 52.0171 172.333 PRESSAVG: 1256000 -4.80212 43.9751 57.6015 43.975 -23.292 -31.064 57.6016 -31.0639 -36.8193 GPRESSAVG: 1256000 -5.17388 43.6611 55.715 45.2159 -23.3071 -30.5045 58.9557 -31.7419 -36.6346 TIMING: 1256000 CPU: 3647.96, 0.00291172/step Wall: 3647.96, 0.00291172/step, 3.02819 hours remaining, 204.566406 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: 1256000 758.4805 2096.8025 1970.0670 124.6870 -206780.8478 17958.5549 0.0000 0.0000 34316.4380 -149555.8178 299.6940 -183872.2558 -149461.0372 298.3856 -15.9467 13.8062 556390.3201 -21.6378 -21.7052 PRESSURE: 1256200 -242.353 1.03888 -43.7304 1.03773 98.2516 -163.967 -43.7303 -163.966 241.119 GPRESSURE: 1256200 -154.173 43.6437 96.9877 34.923 83.7147 -144.985 -111.415 -130.769 249.762 PRESSAVG: 1256200 32.0454 -32.6825 81.2501 -32.6826 28.7663 -74.0374 81.2501 -74.0373 -17.9619 GPRESSAVG: 1256200 30.6731 -31.7865 84.1463 -33.0034 28.5609 -73.9363 78.911 -72.9324 -16.8103 TIMING: 1256200 CPU: 3648.55, 0.00293038/step Wall: 3648.55, 0.00293038/step, 3.04743 hours remaining, 204.566406 MB of memory in use. ENERGY: 1256200 720.0297 2095.0729 1963.4079 115.9991 -206278.4463 17651.0711 0.0000 0.0000 34120.9345 -149611.9310 297.9866 -183732.8656 -149519.7034 298.4324 32.3392 59.7678 555744.5837 14.2833 14.1413 LDB: ============= START OF LOAD BALANCING ============== 3652.01 LDB: ============== END OF LOAD BALANCING =============== 3652.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3652.02 LDB: ============= START OF LOAD BALANCING ============== 3652.31 LDB: Largest compute 4820 load 0.029888 is 25.4% of average load 0.117641 LDB: Average compute 0.001740 is 1.5% of average load 0.117641 LDB: TIME 3652.31 LOAD: AVG 0.117641 MAX 0.17981 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.984 MB LDB: TIME 3652.31 LOAD: AVG 0.117641 MAX 0.17981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.984 MB LDB: TIME 3652.31 LOAD: AVG 0.117641 MAX 0.17981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.984 MB LDB: ============== END OF LOAD BALANCING =============== 3652.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3652.32 PRESSURE: 1256400 -226.02 26.7352 52.1844 26.7359 -132.597 -16.3156 52.1838 -16.317 -136.606 GPRESSURE: 1256400 -217.74 -35.4737 40.7124 63.0734 -102.975 -64.156 38.6156 87.2065 -94.0265 PRESSAVG: 1256400 21.4846 15.0939 -32.0498 15.0939 -38.1127 -34.7074 -32.0498 -34.7075 15.6706 GPRESSAVG: 1256400 23.135 14.504 -29.5529 13.5481 -38.0385 -34.0399 -32.7302 -34.6263 13.9497 TIMING: 1256400 CPU: 3649.14, 0.00297937/step Wall: 3649.14, 0.00297937/step, 3.09822 hours remaining, 205.066406 MB of memory in use. ENERGY: 1256400 776.4697 2078.5344 1971.0210 107.7130 -206167.8778 17503.3786 0.0000 0.0000 34057.5825 -149673.1785 297.4333 -183730.7610 -149572.1653 297.9467 -165.0746 -138.2473 555934.1124 -0.3192 -0.3180 PRESSURE: 1256600 18.7946 209.991 50.5844 209.992 59.7863 -133.615 50.5843 -133.614 169.139 GPRESSURE: 1256600 68.5179 118.485 47.2517 206.605 50.0397 -62.5422 49.9033 -171.979 216.799 PRESSAVG: 1256600 53.6847 1.03432 -1.31365 1.03437 -73.2217 -36.1728 -1.31366 -36.1728 10.5112 GPRESSAVG: 1256600 52.4079 0.368621 -4.2841 3.38936 -72.6421 -35.4063 -0.761853 -37.9953 11.0942 TIMING: 1256600 CPU: 3649.73, 0.00291461/step Wall: 3649.73, 0.00291461/step, 3.0307 hours remaining, 205.136719 MB of memory in use. ENERGY: 1256600 709.9245 2095.5163 1956.7421 112.6194 -206463.0563 17827.6499 0.0000 0.0000 34101.6469 -149658.9571 297.8182 -183760.6040 -149558.4047 297.9435 82.5733 111.7855 556334.6075 -3.0086 -3.0467 PRESSURE: 1256800 132.452 -4.91949 -133.141 -4.91924 36.9788 162.551 -133.141 162.551 97.254 GPRESSURE: 1256800 154.786 34.0018 -119.583 -31.9894 63.1161 185.813 -126.565 199.256 130.382 PRESSAVG: 1256800 46.838 21.6691 -57.5796 21.6691 -17.5508 34.9176 -57.5796 34.9176 -37.8473 GPRESSAVG: 1256800 46.7099 21.7479 -57.7041 21.7385 -18.8389 33.934 -56.2191 35.9648 -36.8623 TIMING: 1256800 CPU: 3650.3, 0.00289467/step Wall: 3650.3, 0.00289467/step, 3.00982 hours remaining, 205.136719 MB of memory in use. ENERGY: 1256800 720.7252 2113.8721 1946.4951 118.1612 -206766.9718 18072.1543 0.0000 0.0000 34100.4114 -149695.1525 297.8074 -183795.5639 -149605.5454 297.5547 88.8950 116.0948 557112.6585 -2.8534 -2.9971 PRESSURE: 1257000 236.958 54.2005 68.923 54.1998 187.194 -52.6754 68.923 -52.6758 69.6834 GPRESSURE: 1257000 275.085 67.5156 -45.4122 56.3319 234.228 -44.1455 69.3021 -17.2117 83.4394 PRESSAVG: 1257000 -21.3798 8.50491 -8.1244 8.50491 18.4574 -11.8068 -8.12437 -11.8069 24.0604 GPRESSAVG: 1257000 -20.8832 8.7011 -8.99557 6.59411 18.6479 -11.0222 -9.02651 -10.4419 22.8955 TIMING: 1257000 CPU: 3650.89, 0.00291319/step Wall: 3650.89, 0.00291319/step, 3.02891 hours remaining, 205.136719 MB of memory in use. ENERGY: 1257000 734.4632 2119.4016 1978.7682 125.6380 -206916.8297 18206.5843 0.0000 0.0000 34191.0535 -149560.9208 298.5990 -183751.9744 -149466.3841 298.1263 164.6116 197.5842 556588.7110 7.0460 6.8867 PRESSURE: 1257200 9.32271 128.473 -98.2323 128.473 -205.479 -114.222 -98.233 -114.222 -127.278 GPRESSURE: 1257200 32.5214 202.722 -24.1606 56.1795 -190.364 -80.9316 -121.566 -152.078 -61.9865 PRESSAVG: 1257200 25.7735 -2.36543 33.3386 -2.36553 13.2364 -5.75353 33.3386 -5.75346 -15.186 GPRESSAVG: 1257200 26.9573 -2.02107 34.6123 -1.61328 12.852 -5.77121 32.8323 -6.06562 -15.98 TIMING: 1257200 CPU: 3651.47, 0.00289491/step Wall: 3651.47, 0.00289491/step, 3.00974 hours remaining, 205.136719 MB of memory in use. ENERGY: 1257200 779.8763 2094.7697 1947.4756 110.8708 -205977.0712 17582.3994 0.0000 0.0000 34055.9839 -149405.6954 297.4194 -183461.6793 -149307.5930 298.7435 -107.8115 -73.2762 557115.8213 7.9413 7.9431 PRESSURE: 1257400 -55.1988 62.7271 -161.504 62.728 -297.048 75.9892 -161.505 75.9901 137.512 GPRESSURE: 1257400 -41.0546 137.908 -190.399 74.0131 -272.205 124.934 -124.535 12.4107 184.234 PRESSAVG: 1257400 62.0694 -10.2625 -9.06702 -10.2626 -56.9455 25.405 -9.06702 25.4049 27.9354 GPRESSAVG: 1257400 60.9131 -10.0679 -9.36776 -9.33231 -56.2252 24.9293 -8.49049 25.6347 28.8246 TIMING: 1257400 CPU: 3652.04, 0.00287466/step Wall: 3652.04, 0.00287466/step, 2.98852 hours remaining, 205.136719 MB of memory in use. ENERGY: 1257400 756.6766 2046.5521 1970.0824 109.1866 -206405.8373 17848.9799 0.0000 0.0000 34370.1071 -149304.2526 300.1627 -183674.3597 -149201.9645 299.1284 -71.5783 -43.0083 557685.3292 11.0197 11.1708 PRESSURE: 1257600 -40.4559 57.3407 106.116 57.3419 -157.472 191.434 106.116 191.432 -32.5466 GPRESSURE: 1257600 -77.6986 45.104 114.43 137.638 -61.0831 191.258 108.791 213.39 1.54697 PRESSAVG: 1257600 2.0374 -3.27567 -13.2331 -3.2757 -29.7583 49.1138 -13.2331 49.1138 47.4386 GPRESSAVG: 1257600 1.65423 -4.4873 -12.6761 -3.71131 -29.5876 50.3882 -13.1104 49.3824 47.2745 TIMING: 1257600 CPU: 3652.62, 0.00288993/step Wall: 3652.62, 0.00288993/step, 3.00424 hours remaining, 205.136719 MB of memory in use. ENERGY: 1257600 772.5465 2022.1565 1945.9383 114.8954 -205798.4563 17569.3029 0.0000 0.0000 34148.0595 -149225.5572 298.2235 -183373.6167 -149134.7280 299.1827 -76.8247 -45.7449 556868.6154 6.5726 6.4470 PRESSURE: 1257800 165.359 -127.065 145.813 -127.066 -29.4462 112.52 145.813 112.52 208.832 GPRESSURE: 1257800 207.244 -200.974 34.51 -103.218 0.341487 150 128.276 53.6721 217.398 PRESSAVG: 1257800 62.5013 19.683 -6.60005 19.683 -54.9033 81.1265 -6.60006 81.1264 16.9944 GPRESSAVG: 1257800 62.982 19.4742 -7.06079 19.0303 -57.4434 80.6275 -7.3194 81.2827 18.1677 TIMING: 1257800 CPU: 3653.2, 0.00288817/step Wall: 3653.2, 0.00288817/step, 3.00225 hours remaining, 205.136719 MB of memory in use. ENERGY: 1257800 748.2560 2058.3633 1967.2022 117.4301 -206373.5292 17906.0915 0.0000 0.0000 34263.5366 -149312.6495 299.2320 -183576.1861 -149215.6016 299.2614 114.9149 141.6612 556432.0609 8.1975 7.9021 PRESSURE: 1258000 -203.4 39.9403 17.1639 39.9396 -214.029 3.2902 17.1633 3.29109 -358.445 GPRESSURE: 1258000 -137.975 20.6336 2.4504 22.3682 -175.416 8.89926 37.6017 -74.2943 -364.508 PRESSAVG: 1258000 82.8618 -36.5344 -19.1646 -36.5345 -47.0793 32.0479 -19.1645 32.048 -22.725 GPRESSAVG: 1258000 82.4194 -35.344 -20.187 -34.3453 -45.1151 31.4956 -18.7962 31.3347 -24.0191 TIMING: 1258000 CPU: 3653.77, 0.00287056/step Wall: 3653.77, 0.00287056/step, 2.98379 hours remaining, 205.136719 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: 1258000 733.2675 2115.4463 1955.6458 106.5740 -206017.1796 17555.1594 0.0000 0.0000 34166.1919 -149384.8947 298.3819 -183551.0865 -149286.8170 298.5999 -258.6244 -225.9663 558547.7775 4.3525 4.4284 PRESSURE: 1258200 -27.6673 63.0652 -44.9113 63.0651 -131.969 129.158 -44.9114 129.16 -494.293 GPRESSURE: 1258200 -8.58287 40.7124 37.4146 41.784 -63.6703 44.2095 -105.981 173.066 -492.236 PRESSAVG: 1258200 13.1542 -3.65962 -41.8786 -3.6595 -42.4181 6.84901 -41.8786 6.8489 11.8133 GPRESSAVG: 1258200 14.233 -4.43278 -40.2787 -5.06796 -42.3075 6.66959 -43.1145 6.74211 11.5371 TIMING: 1258200 CPU: 3654.35, 0.00290824/step Wall: 3654.35, 0.00290824/step, 3.0228 hours remaining, 205.136719 MB of memory in use. ENERGY: 1258200 734.2161 2075.7525 1951.9840 114.2732 -206235.6150 17603.5974 0.0000 0.0000 34203.8576 -149551.9341 298.7108 -183755.7916 -149458.9240 298.6134 -217.9763 -188.1631 558719.4347 -5.8169 -5.5125 PRESSURE: 1258400 -210.857 90.1745 56.6651 90.1739 -80.0524 -18.9524 56.6659 -18.9541 -149.412 GPRESSURE: 1258400 -160.173 55.6986 16.1908 46.6685 -50.2627 -39.2105 24.4456 -15.8349 -126.533 PRESSAVG: 1258400 62.5662 31.9926 45.4891 31.9926 -9.71537 13.0631 45.4892 13.0631 -44.5248 GPRESSAVG: 1258400 61.7946 34.1024 44.5617 30.5435 -10.6644 15.1414 46.2753 12.0681 -43.0687 TIMING: 1258400 CPU: 3654.94, 0.00291584/step Wall: 3654.94, 0.00291584/step, 3.03053 hours remaining, 205.136719 MB of memory in use. ENERGY: 1258400 711.6122 2113.2560 1958.1329 116.1509 -205857.4729 17447.4156 0.0000 0.0000 34109.8605 -149401.0447 297.8899 -183510.9052 -149309.0415 298.3904 -146.7740 -112.3230 557732.2657 2.7754 2.6872 PRESSURE: 1258600 -80.3969 40.3005 -47.1634 40.3008 -219.194 -138.549 -47.1632 -138.549 -187.86 GPRESSURE: 1258600 -60.53 89.5852 -83.9806 20.9042 -223.871 -171.135 -47.416 -93.68 -110.303 PRESSAVG: 1258600 23.3641 11.3793 -75.5146 11.3794 -13.7853 -45.3522 -75.5146 -45.3523 7.87953 GPRESSAVG: 1258600 23.1881 11.1645 -75.2731 10.5277 -13.6242 -47.5036 -74.0969 -42.9858 7.86637 TIMING: 1258600 CPU: 3655.52, 0.0029276/step Wall: 3655.52, 0.0029276/step, 3.04259 hours remaining, 205.136719 MB of memory in use. ENERGY: 1258600 737.7251 2106.3427 1939.7278 115.0140 -206244.7435 17714.5536 0.0000 0.0000 34193.0417 -149438.3386 298.6163 -183631.3804 -149341.4613 298.5065 -162.4837 -131.5678 558045.4188 5.8195 5.8101 PRESSURE: 1258800 243.252 40.4262 -48.1149 40.426 159.493 10.0746 -48.1149 10.0739 -133.895 GPRESSURE: 1258800 263.253 43.3836 -7.5775 -20.3542 150.835 70.8256 -76.9094 -68.3088 -40.7618 PRESSAVG: 1258800 15.09 8.17355 -1.92424 8.1735 -20.9656 -16.7611 -1.92416 -16.7611 14.1053 GPRESSAVG: 1258800 16.0629 7.08985 -1.49004 9.77392 -20.1458 -15.3482 -3.24319 -17.9549 12.8274 TIMING: 1258800 CPU: 3656.1, 0.00290856/step Wall: 3656.1, 0.00290856/step, 3.02264 hours remaining, 205.136719 MB of memory in use. ENERGY: 1258800 735.2324 2065.7025 1957.5382 112.9824 -206450.1502 18042.8105 0.0000 0.0000 34174.2160 -149361.6682 298.4519 -183535.8842 -149269.6793 298.5289 89.6167 124.4420 558868.8057 2.7432 2.9148 PRESSURE: 1259000 176.945 -212.306 -106.609 -212.306 -303.282 -202.04 -106.609 -202.039 -134.78 GPRESSURE: 1259000 212.812 -270.925 -100.824 -146.875 -251.476 -254.964 -131.422 -162.5 -118.981 PRESSAVG: 1259000 121.059 -39.8653 16.9656 -39.8653 -56.1112 -7.32608 16.9656 -7.32599 -12.0864 GPRESSAVG: 1259000 120.531 -39.692 16.0984 -41.4207 -55.5505 -8.60438 17.9461 -8.81163 -11.7874 TIMING: 1259000 CPU: 3656.68, 0.00288001/step Wall: 3656.68, 0.00288001/step, 2.99281 hours remaining, 205.136719 MB of memory in use. ENERGY: 1259000 737.5945 2145.1488 1965.3354 108.4738 -205983.9650 17680.1932 0.0000 0.0000 34142.9194 -149204.3000 298.1786 -183347.2194 -149112.7747 298.9468 -87.0393 -52.5485 558649.5884 17.6206 17.7309 PRESSURE: 1259200 218.939 -129.382 -67.1761 -129.382 -145.71 -101.921 -67.1769 -101.923 302.829 GPRESSURE: 1259200 273.487 -147.743 22.9117 -49.2377 -111.445 -215.543 -8.6223 -89.9071 307.879 PRESSAVG: 1259200 -3.9191 -43.977 -5.36704 -43.9769 -57.7675 -41.6796 -5.36706 -41.6796 29.8163 GPRESSAVG: 1259200 -3.02035 -44.6675 -4.78428 -41.5666 -58.749 -43.0018 -4.54392 -38.3977 30.1256 TIMING: 1259200 CPU: 3657.26, 0.00288915/step Wall: 3657.26, 0.00288915/step, 3.00215 hours remaining, 205.136719 MB of memory in use. ENERGY: 1259200 716.2967 2050.6654 1990.9231 119.0947 -206298.8319 17990.0967 0.0000 0.0000 34369.1408 -149062.6145 300.1543 -183431.7553 -148970.5035 299.1666 125.3528 156.6405 557101.4552 -10.6235 -10.5479 PRESSURE: 1259400 -368.927 24.2398 -95.0695 24.2386 -212.683 -161.979 -95.07 -161.979 210.16 GPRESSURE: 1259400 -348.997 87.3568 -71.8087 21.6325 -199.63 -71.2443 -147.532 -215.877 266.316 PRESSAVG: 1259400 32.18 -11.1389 -14.5652 -11.1389 -125.315 -29.1286 -14.5652 -29.1286 70.3646 GPRESSAVG: 1259400 30.3098 -10.0816 -15.3411 -12.0735 -124.779 -27.9757 -15.1103 -29.5686 71.5138 TIMING: 1259400 CPU: 3657.83, 0.00288205/step Wall: 3657.83, 0.00288205/step, 2.99461 hours remaining, 205.136719 MB of memory in use. ENERGY: 1259400 719.5902 2112.2288 1964.1916 119.3424 -205881.0046 17603.7336 0.0000 0.0000 34345.8893 -149016.0287 299.9512 -183361.9180 -148922.7328 299.0686 -123.8171 -94.1035 558651.5166 -7.5901 -7.6519 PRESSURE: 1259600 87.4153 12.9147 25.3007 12.9139 78.0688 24.3632 25.3015 24.3617 110.558 GPRESSURE: 1259600 63.6378 -45.0811 52.8784 30.1465 153.002 67.0154 133.184 -45.9333 164.096 PRESSAVG: 1259600 -43.5932 -8.6435 -21.3372 -8.64346 -53.4206 4.92125 -21.3372 4.92116 105.12 GPRESSAVG: 1259600 -42.2519 -9.69138 -20.3709 -9.57643 -53.687 5.5313 -21.6837 4.19386 104.558 TIMING: 1259600 CPU: 3658.41, 0.00289187/step Wall: 3658.41, 0.00289187/step, 3.00465 hours remaining, 205.136719 MB of memory in use. ENERGY: 1259600 725.5481 2068.1433 1939.7807 105.8299 -205986.7175 17857.4525 0.0000 0.0000 34349.4613 -148940.5018 299.9824 -183289.9631 -148845.9425 299.0675 92.0140 126.9121 557371.1905 2.7021 2.8730 PRESSURE: 1259800 -41.9973 -90.1445 -57.0901 -90.1431 -64.6508 -25.4777 -57.0896 -25.4776 -162.021 GPRESSURE: 1259800 -13.1061 -104.309 18.3133 -217.398 -107.743 -0.880726 -89.847 -69.0309 -51.5855 PRESSAVG: 1259800 -27.1734 -9.23006 -12.5235 -9.23001 -29.8144 7.87984 -12.5235 7.87988 21.6548 GPRESSAVG: 1259800 -27.2321 -9.15698 -11.4526 -8.58506 -30.1179 8.66365 -12.413 7.43307 22.0375 TIMING: 1259800 CPU: 3658.99, 0.00290583/step Wall: 3658.99, 0.00290583/step, 3.019 hours remaining, 205.136719 MB of memory in use. ENERGY: 1259800 759.6912 2086.7148 1966.1914 112.7633 -205974.2582 17816.8216 0.0000 0.0000 34151.3728 -149080.7030 298.2524 -183232.0759 -148991.1024 299.4899 -89.5563 -57.4781 558304.0119 -11.7777 -11.7708 PRESSURE: 1260000 -110.706 -27.4134 -181.939 -27.4127 -118.475 -67.814 -181.941 -67.8137 61.1934 GPRESSURE: 1260000 -102.759 32.2229 -111.377 -38.8499 -97.9709 -113.143 -199.054 -18.7258 119.377 PRESSAVG: 1260000 -28.02 -16.2487 -43.427 -16.2486 -47.5708 -38.9301 -43.4271 -38.9301 45.9278 GPRESSAVG: 1260000 -27.6357 -14.6797 -43.5393 -15.6966 -46.3079 -39.5682 -43.8667 -38.1185 44.6817 TIMING: 1260000 CPU: 3659.57, 0.0028994/step Wall: 3659.57, 0.0028994/step, 3.01215 hours remaining, 205.136719 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: 1260000 732.2598 2108.2479 1950.1813 123.7115 -206157.6964 17739.6247 0.0000 0.0000 34578.3875 -148925.2837 301.9817 -183503.6712 -148832.6111 299.7540 -55.9959 -27.1177 558873.0083 -9.8877 -9.7540 PRESSURE: 1260200 267.742 173.59 -106.529 173.591 200.387 227.016 -106.528 227.016 20.8418 GPRESSURE: 1260200 339.229 115.496 -132.84 194.747 196.936 289.32 -85.464 238.559 52.7282 PRESSAVG: 1260200 52.2089 37.139 -44.4059 37.1391 18.7188 21.5004 -44.4059 21.5003 -77.3852 GPRESSAVG: 1260200 51.6977 36.3119 -45.5482 36.5352 17.8872 19.2979 -42.3025 22.713 -75.2835 TIMING: 1260200 CPU: 3660.16, 0.00292707/step Wall: 3660.16, 0.00292707/step, 3.04074 hours remaining, 205.136719 MB of memory in use. ENERGY: 1260200 761.2662 2133.7043 1979.2375 124.6243 -206429.5779 18256.2121 0.0000 0.0000 34218.6572 -148955.8763 298.8400 -183174.5335 -148866.9952 299.7279 162.9904 196.2977 557933.3855 -2.1525 -1.8995 LDB: ============= START OF LOAD BALANCING ============== 3663.62 LDB: ============== END OF LOAD BALANCING =============== 3663.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3663.63 LDB: ============= START OF LOAD BALANCING ============== 3663.92 LDB: Largest compute 4820 load 0.028762 is 24.5% of average load 0.117609 LDB: Average compute 0.001734 is 1.5% of average load 0.117609 LDB: TIME 3663.92 LOAD: AVG 0.117609 MAX 0.178082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.355 MB LDB: TIME 3663.92 LOAD: AVG 0.117609 MAX 0.178082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.5 MB LDB: TIME 3663.92 LOAD: AVG 0.117609 MAX 0.178082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3663.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3663.93 PRESSURE: 1260400 -166.695 -8.99938 191.425 -8.99954 -81.8128 83.5897 191.424 83.5891 -156.494 GPRESSURE: 1260400 -197.384 -63.1648 183.236 1.12965 -76.4408 34.8904 204.569 135.821 -42.9091 PRESSAVG: 1260400 13.8014 7.41007 35.8542 7.41007 -1.62049 4.17003 35.8542 4.1701 -10.0856 GPRESSAVG: 1260400 13.2923 7.62197 36.1973 7.32841 -1.17313 5.9619 35.1672 3.52933 -9.90946 TIMING: 1260400 CPU: 3660.75, 0.00297147/step Wall: 3660.75, 0.00297147/step, 3.08669 hours remaining, 205.378906 MB of memory in use. ENERGY: 1260400 730.5029 2064.8314 1973.1210 115.9518 -205555.7957 17464.7351 0.0000 0.0000 34373.3018 -148833.3518 300.1906 -183206.6536 -148736.3651 299.6818 -135.0007 -105.5780 557462.6979 0.6984 0.7366 PRESSURE: 1260600 95.2072 -9.18442 -230.22 -9.18503 -0.198338 -73.1022 -230.221 -73.1019 -190.102 GPRESSURE: 1260600 85.5748 28.8529 -194.994 73.39 40.2104 -13.628 -227.551 -70.7415 -127.672 PRESSAVG: 1260600 3.25439 -21.7388 -41.6312 -21.7388 -18.8891 -30.2238 -41.6312 -30.2236 35.8825 GPRESSAVG: 1260600 3.44993 -21.168 -41.6168 -22.5679 -19.5598 -31.4247 -42.7529 -31.763 36.5298 TIMING: 1260600 CPU: 3661.34, 0.00291502/step Wall: 3661.34, 0.00291502/step, 3.0279 hours remaining, 205.621094 MB of memory in use. ENERGY: 1260600 780.1236 2088.0747 1970.7762 104.9872 -205940.6161 17852.5631 0.0000 0.0000 34212.4555 -148931.6359 298.7859 -183144.0914 -148829.8123 300.2045 -31.6977 -0.6289 557129.8081 6.7493 6.8066 PRESSURE: 1260800 29.4918 -26.0802 -166.036 -26.0807 66.2491 -44.4308 -166.036 -44.4321 167.485 GPRESSURE: 1260800 105.529 -43.8062 -80.1036 -2.77592 112.825 -33.4014 -178.774 -81.1884 139.098 PRESSAVG: 1260800 11.5329 0.267663 -55.9935 0.267757 17.9497 -23.5662 -55.9935 -23.5663 -52.2316 GPRESSAVG: 1260800 13.0526 -1.73824 -56.0487 0.744845 18.3381 -24.6262 -55.497 -21.3052 -53.8862 TIMING: 1260800 CPU: 3661.91, 0.00289264/step Wall: 3661.91, 0.00289264/step, 3.00449 hours remaining, 205.621094 MB of memory in use. ENERGY: 1260800 713.0515 2046.7968 1958.9019 100.0259 -205820.3327 17851.8767 0.0000 0.0000 34240.7512 -148908.9287 299.0330 -183149.6798 -148819.9564 300.2407 87.7418 119.1506 556373.2032 -7.5830 -7.4985 PRESSURE: 1261000 -106.071 0.722457 -4.36181 0.722412 -51.1317 123.422 -4.36274 123.423 386.756 GPRESSURE: 1261000 -64.3203 -15.2776 0.189935 2.9406 8.65062 146.877 56.3588 33.3985 370.478 PRESSAVG: 1261000 6.34185 20.6275 -10.0639 20.6274 -29.7063 17.7718 -10.0639 17.7718 46.4513 GPRESSAVG: 1261000 5.41423 22.3944 -9.32806 20.5758 -28.6051 20.8164 -10.6713 15.6416 45.854 TIMING: 1261000 CPU: 3662.49, 0.00288841/step Wall: 3662.49, 0.00288841/step, 2.99993 hours remaining, 205.621094 MB of memory in use. ENERGY: 1261000 762.5723 2022.0365 1949.1356 111.0217 -206153.3861 17968.7042 0.0000 0.0000 34402.4782 -148937.4376 300.4454 -183339.9158 -148844.6163 300.0199 76.5176 104.9361 556763.5260 7.6956 7.5544 PRESSURE: 1261200 -77.2728 -82.9995 -20.6207 -82.9977 -113.179 -56.3052 -20.6217 -56.3035 211.187 GPRESSURE: 1261200 -58.5953 -46.1277 -80.2049 -90.6557 -68.9934 -3.81425 -53.8191 -99.1401 239.879 PRESSAVG: 1261200 -5.71663 27.8535 -26.2637 27.8536 -31.2759 -27.5512 -26.2637 -27.5512 34.6936 GPRESSAVG: 1261200 -5.46467 28.0993 -25.9029 27.5879 -31.9971 -30.3543 -26.3964 -26.2482 35.4032 TIMING: 1261200 CPU: 3663.07, 0.0029107/step Wall: 3663.07, 0.0029107/step, 3.02292 hours remaining, 205.824219 MB of memory in use. ENERGY: 1261200 726.4390 2064.8961 1971.1897 124.1555 -205697.9667 17718.3253 0.0000 0.0000 34056.5257 -149036.4354 297.4241 -183092.9611 -148928.9159 299.4631 6.9119 37.4300 556723.6427 -0.7663 -0.6862 PRESSURE: 1261400 -184.571 20.9286 -134.841 20.9283 -1.47168 -93.0382 -134.842 -93.039 108.586 GPRESSURE: 1261400 -108.848 22.3218 -60.4553 79.8382 37.307 -64.8801 -248.382 -145.98 92.0856 PRESSAVG: 1261400 42.8995 6.71327 -48.7513 6.71337 -42.3949 -11.3227 -48.7512 -11.3226 33.1725 GPRESSAVG: 1261400 44.8548 7.05962 -49.5611 5.51883 -44.5151 -9.97256 -48.1971 -13.3589 33.7101 TIMING: 1261400 CPU: 3663.65, 0.00289205/step Wall: 3663.65, 0.00289205/step, 3.00339 hours remaining, 205.824219 MB of memory in use. ENERGY: 1261400 740.4762 2108.3151 1956.1294 111.0368 -206021.5670 17817.4467 0.0000 0.0000 34134.4397 -149153.7232 298.1046 -183288.1628 -149057.9531 299.0598 -25.8189 6.8482 556594.3529 11.2257 11.3499 PRESSURE: 1261600 8.05296 -95.6221 -7.24148 -95.6216 -195.86 46.7031 -7.24067 46.7042 -90.3503 GPRESSURE: 1261600 -6.35754 -37.0819 13.1911 -112.405 -50.7803 -52.1051 8.17829 90.9691 -135.99 PRESSAVG: 1261600 -9.8674 31.6663 -27.1922 31.6662 18.1251 -53.7868 -27.1921 -53.7868 -12.1402 GPRESSAVG: 1261600 -12.0765 31.1435 -28.2594 33.0127 19.6787 -53.1619 -25.0407 -52.9543 -11.9954 TIMING: 1261600 CPU: 3664.23, 0.00287324/step Wall: 3664.23, 0.00287324/step, 2.9837 hours remaining, 205.824219 MB of memory in use. ENERGY: 1261600 791.5631 2086.3886 1931.4597 121.5149 -206397.7437 17814.4978 0.0000 0.0000 34259.8094 -149392.5103 299.1994 -183652.3197 -149301.0912 298.5723 -92.7192 -64.3761 556858.2455 -1.2942 -1.4644 PRESSURE: 1261800 50.7434 92.6166 87.9336 92.6156 -289.944 -82.8115 87.9331 -82.81 -32.3451 GPRESSURE: 1261800 95.0385 114.377 161.235 81.6856 -241.79 -169.34 49.0995 -49.5947 -32.7261 PRESSAVG: 1261800 -5.58537 81.8841 43.2259 81.8841 1.86832 -20.6019 43.2258 -20.6019 34.1432 GPRESSAVG: 1261800 -3.58521 82.5712 43.5638 83.1676 1.81786 -20.4877 42.0971 -22.4152 32.8679 TIMING: 1261800 CPU: 3664.8, 0.00287775/step Wall: 3664.8, 0.00287775/step, 2.98822 hours remaining, 205.824219 MB of memory in use. ENERGY: 1261800 762.7538 2011.7250 1960.0325 113.0591 -206159.8276 17700.6226 0.0000 0.0000 34196.2869 -149415.3476 298.6447 -183611.6345 -149322.3100 298.4990 -90.5154 -59.8260 555983.4138 10.1420 10.3668 PRESSURE: 1262000 -64.1373 85.4361 -13.5157 85.4355 -273.229 -2.40774 -13.5158 -2.40892 40.6188 GPRESSURE: 1262000 -92.8053 177.146 -20.458 36.0144 -205.067 39.0062 -23.9558 -48.0992 77.4669 PRESSAVG: 1262000 -47.6611 46.7681 37.3167 46.768 -34.9603 -14.7739 37.3167 -14.7739 92.7037 GPRESSAVG: 1262000 -48.1236 47.3289 38.0068 44.7464 -36.3773 -15.7187 35.7852 -12.7222 94.3255 TIMING: 1262000 CPU: 3665.38, 0.0028912/step Wall: 3665.38, 0.0028912/step, 3.00203 hours remaining, 205.824219 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: 1262000 708.9975 2111.7408 1951.1803 107.2016 -205903.4361 17658.8422 0.0000 0.0000 34033.9038 -149331.5700 297.2265 -183365.4738 -149244.1836 298.8632 -98.9160 -73.4684 557129.7990 3.3608 3.2749 PRESSURE: 1262200 -117.753 -42.2394 -54.8337 -42.2383 -102.168 -16.2008 -54.8335 -16.2009 178.644 GPRESSURE: 1262200 -130.741 -32.2351 -37.996 72.2996 -10.352 -14.1159 0.753671 54.3063 187.93 PRESSAVG: 1262200 -52.4738 35.9253 8.25528 35.9253 -10.3395 14.9029 8.25523 14.9029 59.1413 GPRESSAVG: 1262200 -52.6534 33.2486 9.58724 37.4929 -9.46883 14.8201 11.3814 16.7481 58.268 TIMING: 1262200 CPU: 3665.96, 0.00289591/step Wall: 3665.96, 0.00289591/step, 3.00675 hours remaining, 205.824219 MB of memory in use. ENERGY: 1262200 720.7131 2031.5052 1977.9388 113.4143 -206002.6667 17721.9124 0.0000 0.0000 34107.0326 -149330.1503 297.8652 -183437.1829 -149229.1950 298.9878 -13.7591 15.6124 557886.1565 -1.2240 -1.2847 PRESSURE: 1262400 -34.6858 -30.7875 39.9437 -30.7873 315.48 -55.38 39.9427 -55.3774 -23.3373 GPRESSURE: 1262400 13.1067 -75.0207 76.3365 -78.6762 326.479 -22.3357 77.9963 -5.37284 8.68599 PRESSAVG: 1262400 39.1159 12.9437 54.4911 12.9437 0.120716 -26.3227 54.491 -26.3226 -51.599 GPRESSAVG: 1262400 39.5883 12.9824 53.0269 12.0003 0.954609 -26.2029 54.7634 -28.719 -52.6266 TIMING: 1262400 CPU: 3666.54, 0.00290771/step Wall: 3666.54, 0.00290771/step, 3.01885 hours remaining, 205.824219 MB of memory in use. ENERGY: 1262400 755.5147 2073.8507 1963.2794 105.5800 -206354.5032 18036.2840 0.0000 0.0000 34084.8357 -149335.1587 297.6713 -183419.9944 -149238.7065 298.1814 85.8191 116.0905 558832.6474 -4.1208 -4.0279 PRESSURE: 1262600 313.365 130.933 -27.7963 130.934 245.578 -55.8934 -27.7963 -55.895 104.942 GPRESSURE: 1262600 375.556 225.631 -39.0513 85.2939 269.309 -10.3899 16.5935 -74.0208 114.837 PRESSAVG: 1262600 -59.7171 29.2669 7.12157 29.2669 18.7795 5.38954 7.12149 5.38963 9.54426 GPRESSAVG: 1262600 -59.627 30.0289 7.96934 28.6293 18.046 5.15182 5.02143 6.37637 9.99227 TIMING: 1262600 CPU: 3667.12, 0.00291171/step Wall: 3667.12, 0.00291171/step, 3.02284 hours remaining, 205.824219 MB of memory in use. ENERGY: 1262600 740.2504 2023.5218 1969.4677 111.7273 -206464.2087 18184.7794 0.0000 0.0000 34276.5420 -149157.9199 299.3456 -183434.4619 -149063.3258 298.7909 221.2950 253.2342 557276.4110 -10.4645 -10.5296 PRESSURE: 1262800 69.8949 4.39314 20.2537 4.39333 -174.469 1.5708 20.2526 1.56966 -236.691 GPRESSURE: 1262800 100.405 -32.8793 23.6242 9.52789 -156.142 16.6421 63.99 -13.2792 -189.454 PRESSAVG: 1262800 44.9527 -14.6702 -18.2869 -14.6703 -9.03437 29.2181 -18.287 29.2182 -25.7664 GPRESSAVG: 1262800 43.9395 -15.7684 -18.289 -14.8356 -8.58793 29.3315 -17.7084 29.874 -25.1476 TIMING: 1262800 CPU: 3667.71, 0.00293126/step Wall: 3667.71, 0.00293126/step, 3.04297 hours remaining, 205.824219 MB of memory in use. ENERGY: 1262800 735.2218 2070.7499 1952.4771 127.0088 -206270.5681 17724.0417 0.0000 0.0000 34384.4034 -149276.6654 300.2875 -183661.0688 -149182.3598 299.7967 -113.7549 -81.7304 557729.9614 3.3840 3.4013 PRESSURE: 1263000 -42.2148 57.9183 95.8482 57.9183 -216.117 -109.147 95.8483 -109.146 -3.63211 GPRESSURE: 1263000 -56.6001 84.8701 52.7664 14.2655 -203.91 -0.664142 71.9223 -180.627 87.2215 PRESSAVG: 1263000 -22.1718 15.1207 12.6162 15.1206 -27.2472 17.7824 12.6162 17.7823 30.4248 GPRESSAVG: 1263000 -21.4211 15.0634 12.6616 16.1868 -27.4136 17.0634 10.7214 17.444 30.2358 TIMING: 1263000 CPU: 3668.29, 0.00288692/step Wall: 3668.29, 0.00288692/step, 2.99678 hours remaining, 205.824219 MB of memory in use. ENERGY: 1263000 776.8034 2075.6019 1969.1143 107.1613 -206244.9491 17821.1872 0.0000 0.0000 34148.4410 -149346.6400 298.2268 -183495.0810 -149249.0868 298.8241 -87.3211 -57.7628 558488.6812 -6.3314 -6.1997 PRESSURE: 1263200 257.117 86.7259 -35.7974 86.7274 -61.619 47.1254 -35.7979 47.1252 276.608 GPRESSURE: 1263200 239.935 113.026 -27.5393 82.7333 59.3172 73.7571 -50.6004 1.00036 272.215 PRESSAVG: 1263200 5.60044 -66.6863 -49.2527 -66.6863 -8.35585 -20.9163 -49.2527 -20.9164 27.0277 GPRESSAVG: 1263200 5.49122 -64.6779 -50.7396 -67.386 -9.08514 -21.4626 -48.8778 -19.984 27.8383 TIMING: 1263200 CPU: 3668.87, 0.00290644/step Wall: 3668.87, 0.00290644/step, 3.01688 hours remaining, 205.824219 MB of memory in use. ENERGY: 1263200 763.3814 2043.7022 1929.5215 106.3215 -206974.4070 18208.8365 0.0000 0.0000 34414.7309 -149507.9129 300.5524 -183922.6438 -149417.0960 298.1582 157.3688 190.4890 556555.4594 8.0908 8.0815 PRESSURE: 1263400 -304.373 115.512 -59.4494 115.512 41.213 -6.509 -59.4503 -6.50967 -310.99 GPRESSURE: 1263400 -253.813 115.701 -37.9672 85.7357 57.4915 11.0077 -85.6684 11.2259 -279.477 PRESSAVG: 1263400 23.3965 -32.3784 -17.6918 -32.3784 25.8864 9.14472 -17.6917 9.14474 -46.6998 GPRESSAVG: 1263400 23.2301 -32.9271 -16.2628 -30.417 26.6223 10.7128 -16.8216 7.48843 -47.7954 TIMING: 1263400 CPU: 3669.45, 0.00289834/step Wall: 3669.45, 0.00289834/step, 3.00832 hours remaining, 205.824219 MB of memory in use. ENERGY: 1263400 728.2435 2041.8715 1935.2016 118.7825 -206070.5390 17579.9314 0.0000 0.0000 34326.5708 -149339.9377 299.7825 -183666.5085 -149239.8963 298.8511 -191.3832 -158.5997 557841.5757 0.8610 0.6857 PRESSURE: 1263600 -70.7489 182.79 51.3706 182.791 -113.385 26.4089 51.372 26.4099 -87.5942 GPRESSURE: 1263600 -117.349 142.751 57.703 165.856 -49.1006 14.5336 32.1213 31.9859 0.692427 PRESSAVG: 1263600 66.7695 39.22 11.2913 39.22 -38.0715 9.09817 11.2912 9.09813 -28.7307 GPRESSAVG: 1263600 65.4004 39.8196 11.5621 36.6424 -37.9508 7.88794 10.8567 8.78431 -28.1035 TIMING: 1263600 CPU: 3670.03, 0.00288765/step Wall: 3670.03, 0.00288765/step, 2.99706 hours remaining, 205.824219 MB of memory in use. ENERGY: 1263600 738.5191 2025.3622 1955.7075 117.0438 -206301.0821 17696.0033 0.0000 0.0000 34376.6307 -149391.8156 300.2197 -183768.4463 -149296.4607 298.9340 -90.5762 -55.2524 557786.5569 -0.0109 -0.2180 PRESSURE: 1263800 -279.42 2.82699 2.39731 2.82796 112.431 161.006 2.39795 161.006 338.597 GPRESSURE: 1263800 -201.844 51.3909 -39.5588 106.329 97.6349 137.968 59.1669 256.683 363.596 PRESSAVG: 1263800 -35.1014 5.99984 49.4464 5.99981 21.5272 40.8513 49.4463 40.8514 3.36596 GPRESSAVG: 1263800 -34.4524 7.4636 48.9446 8.01985 20.7944 41.4413 49.8416 40.3889 2.80716 TIMING: 1263800 CPU: 3670.61, 0.00291052/step Wall: 3670.61, 0.00291052/step, 3.02064 hours remaining, 205.824219 MB of memory in use. ENERGY: 1263800 741.0682 2040.9663 1957.9804 115.2995 -206121.2940 17887.0841 0.0000 0.0000 34034.1481 -149344.7475 297.2287 -183378.8956 -149255.0022 298.3988 57.2029 86.4622 558237.5957 -3.4027 -3.6170 PRESSURE: 1264000 -60.144 -76.0306 -9.91312 -76.0312 -176.181 -100.24 -9.91279 -100.239 -7.74747 GPRESSURE: 1264000 -34.03 -30.9217 64.4885 -90.5975 -157.273 -125.479 38.9777 -89.8228 32.3895 PRESSAVG: 1264000 3.9416 13.3895 42.7794 13.3896 23.892 -47.205 42.7794 -47.205 -2.86521 GPRESSAVG: 1264000 3.76286 12.2567 44.489 11.5663 24.1896 -48.0117 43.2229 -44.7643 -3.23568 TIMING: 1264000 CPU: 3671.19, 0.00293419/step Wall: 3671.19, 0.00293419/step, 3.04503 hours remaining, 205.824219 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: 1264000 771.1045 2054.1546 1960.4075 120.2409 -206111.5268 17699.9871 0.0000 0.0000 34296.8845 -149208.7477 299.5232 -183505.6323 -149111.0157 299.3348 -81.3575 -52.9711 557869.1548 8.3228 8.2389 PRESSURE: 1264200 160.701 -70.9158 -220.497 -70.9154 86.5764 13.8247 -220.497 13.8243 -76.0701 GPRESSURE: 1264200 168.723 -98.3177 -261.968 -107.243 110.94 30.7444 -140.853 59.519 -13.8872 PRESSAVG: 1264200 96.8686 -21.435 -117.08 -21.435 -77.4036 -29.2138 -117.08 -29.2138 -16.3309 GPRESSAVG: 1264200 95.6014 -20.0233 -117.818 -21.2814 -76.4136 -28.8615 -118.921 -30.3637 -15.8988 TIMING: 1264200 CPU: 3671.78, 0.00292399/step Wall: 3671.78, 0.00292399/step, 3.03429 hours remaining, 205.824219 MB of memory in use. ENERGY: 1264200 713.3183 2086.2280 1984.8555 123.4947 -206335.3767 17924.3966 0.0000 0.0000 34103.8592 -149399.2245 297.8375 -183503.0837 -149307.7044 299.5066 57.0691 88.5917 557058.9516 1.0447 1.0963 LDB: ============= START OF LOAD BALANCING ============== 3675.25 LDB: ============== END OF LOAD BALANCING =============== 3675.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3675.25 LDB: ============= START OF LOAD BALANCING ============== 3675.54 LDB: Largest compute 4820 load 0.028550 is 24.3% of average load 0.117589 LDB: Average compute 0.001738 is 1.5% of average load 0.117589 LDB: TIME 3675.55 LOAD: AVG 0.117589 MAX 0.180492 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.336 MB LDB: TIME 3675.55 LOAD: AVG 0.117589 MAX 0.180492 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.336 MB LDB: TIME 3675.55 LOAD: AVG 0.117589 MAX 0.180492 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3675.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3675.55 PRESSURE: 1264400 68.0754 159.489 53.5532 159.49 277.447 -89.6378 53.5521 -89.6386 -167.969 GPRESSURE: 1264400 97.8755 87.4253 6.24762 164.431 281.79 -129.344 48.0531 -64.8001 -99.5319 PRESSAVG: 1264400 70.184 20.9132 -29.958 20.9132 10.7949 -65.3301 -29.958 -65.3301 -113.688 GPRESSAVG: 1264400 71.1636 18.8359 -32.2697 20.6486 10.3771 -64.2945 -27.9015 -66.2226 -114.312 TIMING: 1264400 CPU: 3672.38, 0.00299197/step Wall: 3672.38, 0.00299197/step, 3.10467 hours remaining, 203.656250 MB of memory in use. ENERGY: 1264400 696.4126 2090.0346 1917.9107 114.2999 -206373.6976 18007.4116 0.0000 0.0000 34312.1424 -149235.4859 299.6565 -183547.6283 -149146.0731 299.2791 59.1843 93.3780 556784.9541 -10.9030 -10.9239 PRESSURE: 1264600 14.5362 -156.643 -17.6421 -156.644 -155.498 -106.281 -17.6428 -106.282 -28.4996 GPRESSURE: 1264600 120.33 -136.059 60.3908 -89.8224 -175.583 -73.9691 -15.2479 -105.537 -13.3135 PRESSAVG: 1264600 51.3755 17.401 1.45697 17.401 6.58395 4.89689 1.45696 4.89699 -38.9876 GPRESSAVG: 1264600 51.2073 16.1954 3.29534 18.1151 6.62538 5.59627 0.934739 6.58238 -38.7052 TIMING: 1264600 CPU: 3672.97, 0.00294078/step Wall: 3672.97, 0.00294078/step, 3.05138 hours remaining, 203.656250 MB of memory in use. ENERGY: 1264600 719.7759 2032.6479 1942.5076 110.4551 -206235.3344 17908.3437 0.0000 0.0000 34205.5713 -149316.0329 298.7258 -183521.6043 -149218.0264 298.9727 -56.4872 -22.8555 559578.7298 6.3239 6.3758 PRESSURE: 1264800 -73.9756 2.03824 -15.2632 2.03869 2.34803 111.693 -15.2642 111.692 -280.117 GPRESSURE: 1264800 -9.30331 -1.32063 -29.1448 1.87393 26.2566 166.013 -47.0944 91.0677 -267.453 PRESSAVG: 1264800 14.3861 -3.58821 23.3669 -3.58821 -2.87221 34.7442 23.3669 34.7441 -84.5955 GPRESSAVG: 1264800 15.0344 -1.70469 23.3657 -5.78111 -2.80943 35.8502 20.6163 33.5392 -85.3488 TIMING: 1264800 CPU: 3673.55, 0.00293269/step Wall: 3673.55, 0.00293269/step, 3.04283 hours remaining, 203.656250 MB of memory in use. ENERGY: 1264800 723.5391 2046.4238 1961.1402 115.5006 -206046.0914 17584.5013 0.0000 0.0000 34253.4014 -149361.5850 299.1435 -183614.9863 -149268.7208 298.5317 -117.2482 -83.4998 559043.7677 -24.3605 -24.3746 PRESSURE: 1265000 -82.8568 35.906 40.525 35.9058 -4.16933 -142.744 40.5243 -142.743 87.9833 GPRESSURE: 1265000 -66.0182 -17.3162 54.878 54.9691 -8.19095 -183.496 -28.0344 -151.759 165.999 PRESSAVG: 1265000 -21.9925 -28.6039 8.71435 -28.6039 22.6898 12.6901 8.71436 12.6901 -12.8076 GPRESSAVG: 1265000 -23.224 -29.188 7.54957 -27.3483 23.527 10.2166 11.323 13.7685 -12.2023 TIMING: 1265000 CPU: 3674.13, 0.00291001/step Wall: 3674.13, 0.00291001/step, 3.01913 hours remaining, 203.656250 MB of memory in use. ENERGY: 1265000 747.3438 2082.7139 1956.8718 103.9437 -206541.5493 18019.3768 0.0000 0.0000 34235.2091 -149396.0903 298.9846 -183631.2995 -149298.2873 298.9772 0.3191 30.5966 558607.1702 -4.0368 -3.9664 PRESSURE: 1265200 -207.887 86.8992 -210.44 86.9002 11.7439 104.87 -210.44 104.868 103.908 GPRESSURE: 1265200 -175.257 -27.3458 -134.234 161.086 -1.04157 132.608 -250.721 134.707 179.433 PRESSAVG: 1265200 -29.0984 14.6569 -42.8697 14.6568 -1.46148 -17.2099 -42.8697 -17.2101 -33.8546 GPRESSAVG: 1265200 -28.9281 15.0074 -43.8631 14.0611 -1.85429 -15.893 -43.4343 -18.0636 -33.6915 TIMING: 1265200 CPU: 3674.72, 0.00291642/step Wall: 3674.72, 0.00291642/step, 3.02562 hours remaining, 203.656250 MB of memory in use. ENERGY: 1265200 756.6312 2069.0627 1960.6743 116.0272 -206512.4129 17915.4634 0.0000 0.0000 34296.4868 -149398.0673 299.5197 -183694.5542 -149301.8492 299.0336 -30.7450 1.0446 557047.9341 -21.4715 -21.4913 PRESSURE: 1265400 -234.014 73.3977 133.133 73.3973 154.51 -156.695 133.133 -156.696 -189.801 GPRESSURE: 1265400 -239.48 15.8461 111.247 124.657 208.407 -106.482 148.272 -205.758 -154.727 PRESSAVG: 1265400 -29.7371 18.4697 -38.9296 18.4697 74.9668 -4.75498 -38.9297 -4.75509 -21.2441 GPRESSAVG: 1265400 -29.0804 18.9885 -37.8981 19.4212 75.1535 -5.41197 -40.4408 -3.01364 -21.9821 TIMING: 1265400 CPU: 3675.3, 0.0028866/step Wall: 3675.3, 0.0028866/step, 2.99453 hours remaining, 203.656250 MB of memory in use. ENERGY: 1265400 752.7499 2034.6840 1969.3900 113.2526 -206267.0397 17670.8977 0.0000 0.0000 34247.9759 -149478.0896 299.0961 -183726.0656 -149381.0174 298.7847 -89.7685 -61.9330 557494.6949 7.9952 8.0303 PRESSURE: 1265600 -310.45 -66.6887 54.0242 -66.6887 -112.928 -51.3185 54.0245 -51.3198 -152.131 GPRESSURE: 1265600 -263.446 -89.2396 177.918 -52.4773 -91.705 -14.3583 24.471 -78.4199 -123.504 PRESSAVG: 1265600 -4.45817 -33.8126 28.3822 -33.8127 -53.139 -12.6922 28.3821 -12.6923 19.7971 GPRESSAVG: 1265600 -4.20178 -33.529 27.8825 -34.7698 -53.6485 -12.6071 31.3793 -13.829 19.3867 TIMING: 1265600 CPU: 3675.88, 0.00290657/step Wall: 3675.88, 0.00290657/step, 3.01509 hours remaining, 203.656250 MB of memory in use. ENERGY: 1265600 748.2858 2039.6705 1959.6386 111.4003 -205904.1884 17582.6847 0.0000 0.0000 33987.4477 -149475.0608 296.8208 -183462.5085 -149379.1012 298.3460 -191.8362 -159.5514 558342.7086 -12.6000 -12.8212 PRESSURE: 1265800 -56.271 28.9532 22.0541 28.9531 -59.1366 -92.4994 22.0539 -92.5002 -185.139 GPRESSURE: 1265800 -24.3407 3.02138 19.0203 -33.0745 -11.2005 -0.915939 19.314 -144.084 -163.189 PRESSAVG: 1265800 -3.83942 -13.7697 11.773 -13.7697 -37.954 -18.9916 11.7732 -18.9916 60.9681 GPRESSAVG: 1265800 -3.27953 -12.3776 10.998 -14.4959 -38.7996 -17.9914 11.8733 -19.4702 61.4581 TIMING: 1265800 CPU: 3676.46, 0.00290287/step Wall: 3676.46, 0.00290287/step, 3.01109 hours remaining, 203.656250 MB of memory in use. ENERGY: 1265800 737.7880 2060.6144 1922.1158 116.5872 -206089.0717 17624.3334 0.0000 0.0000 34205.0407 -149422.5923 298.7211 -183627.6330 -149327.2969 298.3428 -100.1821 -66.2433 556683.4017 6.3916 6.4597 PRESSURE: 1266000 -116.382 -114.782 210.071 -114.783 156.64 0.62468 210.071 0.624482 -48.5806 GPRESSURE: 1266000 -106.369 -112.962 295.876 -110.426 203.466 21.8928 147.773 64.034 2.40664 PRESSAVG: 1266000 56.1959 -8.29356 27.3481 -8.29355 3.57305 30.4259 27.348 30.4259 -8.22581 GPRESSAVG: 1266000 54.8301 -11.2187 28.7771 -6.72569 4.1539 29.7603 24.9276 30.1235 -7.69631 TIMING: 1266000 CPU: 3677.04, 0.00290853/step Wall: 3677.04, 0.00290853/step, 3.01679 hours remaining, 203.656250 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: 1266000 725.8086 2061.8968 1946.0053 104.1508 -206304.5193 17869.6678 0.0000 0.0000 34039.8706 -149557.1194 297.2787 -183596.9900 -149461.2682 298.1113 -2.7743 33.1680 556996.1951 17.1810 17.0959 PRESSURE: 1266200 -73.2412 10.6645 1.06362 10.6634 -97.851 14.1818 1.06484 14.1812 -71.0712 GPRESSURE: 1266200 -75.362 62.4814 -30.9835 -17.9212 -2.39695 0.330518 68.1884 64.4192 -56.8999 PRESSAVG: 1266200 -47.6693 60.4974 0.120769 60.4974 52.9299 -18.6039 0.120822 -18.604 -11.8675 GPRESSAVG: 1266200 -47.6925 59.9015 -0.618711 60.9011 53.219 -18.8861 1.70003 -18.0805 -11.9751 TIMING: 1266200 CPU: 3677.62, 0.00290037/step Wall: 3677.62, 0.00290037/step, 3.00817 hours remaining, 203.656250 MB of memory in use. ENERGY: 1266200 750.0581 2047.4173 1955.4168 100.5621 -206402.4909 17747.4855 0.0000 0.0000 34367.6037 -149433.9474 300.1408 -183801.5511 -149342.2913 297.7529 -80.7211 -44.8863 556825.0937 -2.2023 -2.1495 PRESSURE: 1266400 -71.6945 69.8034 94.1807 69.8027 -190.397 -108.546 94.1809 -108.546 -244.315 GPRESSURE: 1266400 6.68872 90.4673 41.3117 30.2371 -158.517 -156.342 111.53 -87.0106 -267.06 PRESSAVG: 1266400 0.137626 -14.7288 3.71144 -14.7286 4.70559 31.1831 3.71133 31.1831 9.6948 GPRESSAVG: 1266400 0.560094 -11.0844 5.9517 -16.2186 4.41311 28.9022 1.11985 32.6527 9.4139 TIMING: 1266400 CPU: 3678.2, 0.0028981/step Wall: 3678.2, 0.0028981/step, 3.00565 hours remaining, 203.656250 MB of memory in use. ENERGY: 1266400 750.5100 2020.9333 1954.9626 114.9641 -205956.4055 17544.0017 0.0000 0.0000 34204.4699 -149366.5638 298.7161 -183571.0337 -149274.0724 298.6798 -168.8021 -139.6296 557004.4328 4.8460 4.7957 PRESSURE: 1266600 -74.564 112.205 21.5007 112.206 -44.754 66.2398 21.5017 66.2409 -101.244 GPRESSURE: 1266600 -122.502 76.8523 66.7601 85.5302 7.80118 93.7264 -30.2612 52.6847 -18.2328 PRESSAVG: 1266600 -26.797 35.2734 -14.886 35.2734 -17.1659 31.4975 -14.886 31.4976 -18.5236 GPRESSAVG: 1266600 -27.3541 32.8316 -14.7233 37.6884 -17.5792 32.923 -15.5175 29.479 -17.9012 TIMING: 1266600 CPU: 3678.78, 0.00289542/step Wall: 3678.78, 0.00289542/step, 3.00272 hours remaining, 203.656250 MB of memory in use. ENERGY: 1266600 743.6931 2056.3825 1949.9137 107.5834 -206362.2083 17722.4389 0.0000 0.0000 34263.9253 -149518.2715 299.2354 -183782.1968 -149428.3445 297.7011 -73.5206 -44.3113 556909.0490 -20.8288 -20.9448 PRESSURE: 1266800 -294.442 -88.7896 -83.3138 -88.7879 12.1553 -67.2029 -83.3154 -67.2027 -8.81588 GPRESSURE: 1266800 -244.375 -80.7331 -143.097 -50.9308 45.5946 -20.2564 27.4383 -101.467 1.49972 PRESSAVG: 1266800 -6.45992 -18.1681 -16.1721 -18.1681 16.8638 18.7276 -16.172 18.7277 17.0717 GPRESSAVG: 1266800 -6.46031 -19.2877 -19.3143 -21.265 16.1974 17.931 -13.2595 20.1704 17.8772 TIMING: 1266800 CPU: 3679.36, 0.00290039/step Wall: 3679.36, 0.00290039/step, 3.0077 hours remaining, 203.656250 MB of memory in use. ENERGY: 1266800 739.3893 2079.0216 1959.1053 114.8910 -206781.9476 17805.6296 0.0000 0.0000 34450.4293 -149633.4815 300.8642 -184083.9108 -149535.2415 298.7666 -97.0344 -65.7602 557129.9285 9.1585 9.2048 PRESSURE: 1267000 154.888 58.4895 -133.422 58.4893 -120.685 -84.6389 -133.421 -84.639 -411.786 GPRESSURE: 1267000 139.465 78.473 -144.039 126.282 -33.1503 -78.4605 -118.405 -105.465 -399.11 PRESSAVG: 1267000 -22.4452 -23.343 -32.8211 -23.3431 17.1777 -16.868 -32.8212 -16.8681 -30.4721 GPRESSAVG: 1267000 -22.4541 -21.8036 -30.8012 -24.051 18.2191 -15.0089 -34.1311 -17.4873 -31.7744 TIMING: 1267000 CPU: 3679.94, 0.00289886/step Wall: 3679.94, 0.00289886/step, 3.00595 hours remaining, 203.859375 MB of memory in use. ENERGY: 1267000 798.4214 2028.3227 1974.0722 107.1276 -206173.8178 17669.1694 0.0000 0.0000 34147.4897 -149449.2149 298.2185 -183596.7046 -149352.1373 298.4497 -125.8610 -97.5986 556935.7011 -11.9132 -12.0031 PRESSURE: 1267200 199.557 116.664 48.0302 116.664 -55.9836 -3.05464 48.0306 -3.05481 -113.218 GPRESSURE: 1267200 235.896 145.939 81.9815 144.019 -60.033 37.3955 -37.1031 -18.2387 -47.0055 PRESSAVG: 1267200 1.09445 -0.0799625 -14.8004 -0.0799628 5.56289 33.7056 -14.8004 33.7055 -7.50148 GPRESSAVG: 1267200 2.14377 1.52317 -16.2021 0.218319 5.65409 32.1062 -13.3204 33.2613 -8.15698 TIMING: 1267200 CPU: 3680.52, 0.00290398/step Wall: 3680.52, 0.00290398/step, 3.01111 hours remaining, 203.859375 MB of memory in use. ENERGY: 1267200 742.2324 2049.2741 1974.0072 113.9787 -206345.5068 17741.5412 0.0000 0.0000 34307.4889 -149416.9843 299.6158 -183724.4732 -149324.4564 298.3193 10.1184 42.9525 555581.6673 -0.2814 -0.1197 PRESSURE: 1267400 -152.132 147.44 -162.329 147.44 -97.6313 -108.229 -162.329 -108.229 -250.311 GPRESSURE: 1267400 -106.026 91.6963 -192.21 106.688 -103.572 -80.8205 -90.8746 -64.555 -210.187 PRESSAVG: 1267400 31.6848 71.8029 -74.3783 71.8028 25.5992 -10.7518 -74.3783 -10.7517 -55.0775 GPRESSAVG: 1267400 31.6533 70.6562 -73.8642 70.7779 24.5723 -8.80637 -75.9703 -11.9039 -53.6072 TIMING: 1267400 CPU: 3681.1, 0.00290727/step Wall: 3681.1, 0.00290727/step, 3.01436 hours remaining, 203.859375 MB of memory in use. ENERGY: 1267400 737.7778 2165.7010 1981.9111 112.8899 -206220.8747 17527.9835 0.0000 0.0000 34188.5998 -149506.0115 298.5775 -183694.6113 -149408.1745 298.4642 -166.6917 -139.9282 555600.6284 0.7355 0.8728 PRESSURE: 1267600 -156.786 36.2016 -161.375 36.2019 -199.11 -4.81187 -161.374 -4.81273 -39.4927 GPRESSURE: 1267600 -127.987 97.964 -166.877 30.2525 -111.426 8.46321 -182.988 -48.0348 -71.1386 PRESSAVG: 1267600 44.6974 16.8541 -22.8891 16.8541 -32.4551 63.1668 -22.889 63.1667 34.2676 GPRESSAVG: 1267600 44.1997 18.088 -21.8008 18.0507 -31.154 61.377 -22.0022 66.0334 33.3568 TIMING: 1267600 CPU: 3681.68, 0.00289885/step Wall: 3681.68, 0.00289885/step, 3.00546 hours remaining, 203.859375 MB of memory in use. ENERGY: 1267600 770.3489 2057.9831 1948.5635 105.0776 -205945.7468 17541.7580 0.0000 0.0000 34106.8725 -149415.1431 297.8638 -183522.0156 -149316.8869 298.2283 -131.7962 -103.5169 558033.5510 15.5033 15.4675 PRESSURE: 1267800 -102.673 68.6767 109.542 68.6775 -183.936 -121.665 109.541 -121.665 -121.329 GPRESSURE: 1267800 -97.8018 42.9546 45.5027 41.4877 -174.411 -155.347 203.384 -163.563 -36.2038 PRESSAVG: 1267800 36.075 65.2952 -22.8685 65.2951 -33.9974 -71.9813 -22.8686 -71.9813 -28.7557 GPRESSAVG: 1267800 35.7836 64.573 -23.6915 65.1996 -34.3854 -72.5617 -24.6079 -73.7647 -28.1932 TIMING: 1267800 CPU: 3682.26, 0.00288083/step Wall: 3682.26, 0.00288083/step, 2.98662 hours remaining, 203.859375 MB of memory in use. ENERGY: 1267800 793.9676 2015.6327 1976.2543 106.5234 -206124.2397 17921.6172 0.0000 0.0000 33958.7785 -149351.4660 296.5705 -183310.2445 -149261.9189 298.5114 -135.9790 -102.8055 559251.2098 -8.8927 -8.9316 PRESSURE: 1268000 -133.702 -190.208 -90.9831 -190.207 -71.6697 67.7909 -90.9833 67.7915 196.055 GPRESSURE: 1268000 -77.0521 -222.546 -61.5233 -170.514 -56.4657 35.0261 -53.9702 59.6072 206.215 PRESSAVG: 1268000 42.6063 14.3778 -68.8267 14.3778 -23.0585 26.4478 -68.8267 26.4477 -25.5183 GPRESSAVG: 1268000 41.7624 13.8366 -67.9377 12.9977 -22.6101 26.0557 -68.3927 26.6507 -24.9079 TIMING: 1268000 CPU: 3682.84, 0.00290249/step Wall: 3682.84, 0.00290249/step, 3.00891 hours remaining, 203.859375 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: 1268000 741.3207 2128.2455 1960.0722 116.5480 -206348.9893 17839.4935 0.0000 0.0000 34145.1188 -149418.1908 298.1978 -183563.3096 -149325.7748 298.3277 -3.1058 24.2324 557843.9568 -1.9901 -1.9185 PRESSURE: 1268200 -209.076 -75.2499 119.011 -75.2503 -160.6 113.169 119.01 113.17 -291.97 GPRESSURE: 1268200 -193.527 -117.127 126.001 -8.23556 -150.227 139.81 117.501 165.413 -228.055 PRESSAVG: 1268200 -31.6973 -9.82694 -40.0549 -9.82687 12.3211 0.657931 -40.0549 0.658049 11.4958 GPRESSAVG: 1268200 -30.7105 -10.4999 -40.0027 -9.88149 11.755 2.28023 -38.9577 1.67908 11.5528 TIMING: 1268200 CPU: 3683.41, 0.00288392/step Wall: 3683.41, 0.00288392/step, 2.98951 hours remaining, 203.859375 MB of memory in use. ENERGY: 1268200 714.8990 2069.4588 1948.9239 119.5868 -206131.6931 17574.5117 0.0000 0.0000 34107.7464 -149596.5664 297.8714 -183704.3128 -149503.1266 298.6236 -220.5484 -190.6030 559006.4840 -2.6268 -2.4676 LDB: ============= START OF LOAD BALANCING ============== 3686.88 LDB: ============== END OF LOAD BALANCING =============== 3686.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3686.88 LDB: ============= START OF LOAD BALANCING ============== 3687.17 LDB: Largest compute 4820 load 0.028495 is 24.2% of average load 0.117610 LDB: Average compute 0.001733 is 1.5% of average load 0.117610 LDB: TIME 3687.17 LOAD: AVG 0.11761 MAX 0.180209 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 3687.17 LOAD: AVG 0.11761 MAX 0.180209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: TIME 3687.17 LOAD: AVG 0.11761 MAX 0.180209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: ============== END OF LOAD BALANCING =============== 3687.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3687.18 PRESSURE: 1268400 -114.976 -176.481 -31.0875 -176.481 -363.548 50.3525 -31.0874 50.3523 -21.7541 GPRESSURE: 1268400 -127.618 -139.461 14.2728 -204.729 -282.786 97.0943 -22.5879 69.1982 7.61459 PRESSAVG: 1268400 -3.43288 -47.0661 -29.1485 -47.0661 -5.67042 -47.2001 -29.1484 -47.2001 10.5255 GPRESSAVG: 1268400 -3.41484 -44.4345 -29.8328 -47.1133 -5.20033 -46.406 -30.8981 -50.1368 10.1863 TIMING: 1268400 CPU: 3684.01, 0.0029642/step Wall: 3684.01, 0.0029642/step, 3.07256 hours remaining, 205.265625 MB of memory in use. ENERGY: 1268400 771.6589 2065.5134 1965.3966 108.5234 -206071.7622 17639.7199 0.0000 0.0000 34117.3880 -149403.5620 297.9556 -183520.9500 -149304.0479 297.8468 -166.7593 -134.2630 558859.8315 0.4741 0.5237 PRESSURE: 1268600 59.6761 -25.1563 61.9926 -25.1572 169.718 89.5152 61.9936 89.5131 -3.02528 GPRESSURE: 1268600 68.5218 -23.4212 53.0012 52.297 208.733 70.0946 27.181 155.697 50.9805 PRESSAVG: 1268600 -3.95707 -21.6072 -28.6837 -21.6071 -38.7442 15.3867 -28.6837 15.3867 13.4279 GPRESSAVG: 1268600 -4.54416 -24.1751 -27.2582 -18.1514 -38.1109 15.6991 -26.6857 16.741 13.4526 TIMING: 1268600 CPU: 3684.59, 0.00290269/step Wall: 3684.59, 0.00290269/step, 3.00863 hours remaining, 205.468750 MB of memory in use. ENERGY: 1268600 741.9864 2131.3106 1963.7971 110.4577 -206822.2471 18151.2390 0.0000 0.0000 34390.2848 -149333.1715 300.3389 -183723.4563 -149239.9551 298.6516 75.4561 109.4119 557002.5412 -9.7578 -9.7342 PRESSURE: 1268800 -7.25919 -48.8027 121.692 -48.803 -161.41 -20.467 121.692 -20.4674 -221.637 GPRESSURE: 1268800 51.9391 -53.5081 28.3656 -107.351 -123.802 -28.172 131.933 -56.9709 -223.856 PRESSAVG: 1268800 12.5519 -78.7862 9.47203 -78.7861 3.65557 -27.077 9.47193 -27.077 0.673246 GPRESSAVG: 1268800 12.6947 -78.8541 5.90266 -80.3018 3.58475 -27.5844 9.26486 -27.5096 0.933611 TIMING: 1268800 CPU: 3685.16, 0.00288786/step Wall: 3685.16, 0.00288787/step, 2.99311 hours remaining, 205.468750 MB of memory in use. ENERGY: 1268800 765.3722 2089.8283 1946.3400 93.4972 -206633.2837 17925.9688 0.0000 0.0000 34321.1592 -149491.1181 299.7352 -183812.2772 -149394.9782 298.9088 -130.1019 -98.5729 557906.8593 5.6269 5.7377 PRESSURE: 1269000 -102.327 21.6935 -110.903 21.6933 102.413 161.53 -110.903 161.529 72.2619 GPRESSURE: 1269000 -5.04576 -10.2202 -74.0544 43.2152 42.8855 114.341 -103.077 173.738 136.999 PRESSAVG: 1269000 51.9824 -15.2418 23.679 -15.2418 -19.6071 -42 23.6789 -42.0001 -12.8175 GPRESSAVG: 1269000 53.105 -15.0857 25.5931 -14.8275 -19.7685 -44.629 20.5374 -40.8721 -13.4479 TIMING: 1269000 CPU: 3685.75, 0.00290649/step Wall: 3685.75, 0.00290649/step, 3.01225 hours remaining, 205.468750 MB of memory in use. ENERGY: 1269000 744.8243 2125.2558 1951.8720 109.1738 -206598.5372 17928.5492 0.0000 0.0000 34324.3418 -149414.5203 299.7630 -183738.8620 -149318.5738 299.3554 24.1159 58.2797 555739.6331 6.5193 6.6295 PRESSURE: 1269200 -30.1223 -37.7665 34.6662 -37.7658 -21.5663 111.881 34.6665 111.879 167.644 GPRESSURE: 1269200 40.7596 -61.5178 -0.021994 -74.0651 6.97468 105.526 -17.9663 89.2936 162.349 PRESSAVG: 1269200 -11.4422 10.5417 -34.2975 10.5417 -30.281 34.6094 -34.2975 34.6093 58.4711 GPRESSAVG: 1269200 -11.693 8.85445 -34.7532 9.11616 -30.115 34.6678 -32.73 35.086 58.6665 TIMING: 1269200 CPU: 3686.32, 0.0028845/step Wall: 3686.32, 0.0028845/step, 2.98931 hours remaining, 205.468750 MB of memory in use. ENERGY: 1269200 723.0264 2107.5849 1940.3263 125.2899 -206379.6895 17977.1474 0.0000 0.0000 34147.6780 -149358.6366 298.2202 -183506.3146 -149254.8520 299.6632 38.6518 70.0277 557636.6029 5.5826 5.6195 PRESSURE: 1269400 -391.238 -5.08383 -69.2118 -5.08419 -343.183 0.213677 -69.2121 0.21172 193.774 GPRESSURE: 1269400 -306.967 23.4974 17.7528 28.3627 -334.195 46.3682 -90.5187 -53.7195 207.43 PRESSAVG: 1269400 -46.6444 6.46997 -35.9405 6.46998 -19.82 46.4001 -35.9405 46.4002 47.1462 GPRESSAVG: 1269400 -46.9318 7.65988 -36.138 7.66884 -20.135 47.7012 -33.732 46.3335 48.0479 TIMING: 1269400 CPU: 3686.9, 0.00289383/step Wall: 3686.9, 0.00289383/step, 2.99881 hours remaining, 205.468750 MB of memory in use. ENERGY: 1269400 743.0049 2036.8513 1950.6205 119.2990 -206192.8321 17588.3714 0.0000 0.0000 34424.3872 -149330.2979 300.6367 -183754.6851 -149227.8718 299.0447 -180.2156 -144.5772 557434.2656 -6.4394 -6.3397 PRESSURE: 1269600 159.662 -5.05033 -26.0386 -5.05011 -131.175 30.6202 -26.0387 30.6199 -125.318 GPRESSURE: 1269600 235.832 16.1521 -15.0717 -51.4374 -169.73 -20.0822 -1.85482 40.7771 -57.7002 PRESSAVG: 1269600 17.5268 -59.3665 -58.0202 -59.3665 -41.2875 -3.97823 -58.0202 -3.97829 26.8885 GPRESSAVG: 1269600 16.6017 -59.1151 -58.0131 -59.6292 -40.1695 -3.05098 -57.1511 -5.30519 26.616 TIMING: 1269600 CPU: 3687.48, 0.00289659/step Wall: 3687.48, 0.0028966/step, 3.00152 hours remaining, 205.468750 MB of memory in use. ENERGY: 1269600 738.4343 2076.8704 1959.4057 124.1750 -206410.1472 17854.3041 0.0000 0.0000 34398.9486 -149258.0091 300.4146 -183656.9578 -149167.6223 299.7849 -32.2771 2.8004 557567.6174 1.0426 1.0161 PRESSURE: 1269800 15.6863 207.518 -187.251 207.516 -5.10276 96.8821 -187.251 96.8824 392.954 GPRESSURE: 1269800 17.7591 254.491 -192.903 132.24 96.8671 55.5512 -115.966 48.1678 372.433 PRESSAVG: 1269800 29.6236 23.9453 33.4809 23.9453 -30.9716 -13.8674 33.4809 -13.8675 58.0766 GPRESSAVG: 1269800 28.8725 23.8909 34.3852 23.3932 -31.1312 -13.9837 31.58 -13.7663 58.69 TIMING: 1269800 CPU: 3688.06, 0.00291637/step Wall: 3688.06, 0.00291637/step, 3.02185 hours remaining, 205.468750 MB of memory in use. ENERGY: 1269800 755.6825 2161.0918 1943.9330 117.1774 -206729.1853 18266.6477 0.0000 0.0000 34146.2395 -149338.4135 298.2076 -183484.6529 -149251.8812 298.3786 134.5126 162.3532 556752.6674 18.9095 18.8104 PRESSURE: 1270000 -86.623 120.584 56.2672 120.583 -145.522 132.098 56.268 132.097 79.4031 GPRESSURE: 1270000 8.0151 73.1297 50.0253 116.835 -177.55 49.8056 119.36 153.997 114.874 PRESSAVG: 1270000 51.5365 -29.1113 13.9937 -29.1114 -67.7117 -15.7949 13.9936 -15.7949 48.4069 GPRESSAVG: 1270000 53.618 -29.9969 13.7761 -27.7264 -68.8432 -16.7797 13.4638 -14.1043 47.5748 TIMING: 1270000 CPU: 3688.65, 0.00292818/step Wall: 3688.65, 0.00292818/step, 3.03392 hours remaining, 205.468750 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: 1270000 756.1044 2060.2914 1956.8866 107.5324 -206008.5764 17711.9962 0.0000 0.0000 34162.7166 -149253.0487 298.3515 -183415.7654 -149156.1527 299.1982 -50.9141 -18.2203 558888.6273 10.7439 10.7832 PRESSURE: 1270200 -342.781 -21.0812 -9.85191 -21.0809 -176.908 -19.3788 -9.85162 -19.3794 -107.587 GPRESSURE: 1270200 -344.331 -85.942 -82.5088 -29.0807 -161.787 -46.5596 25.9028 22.7071 -30.4869 PRESSAVG: 1270200 -29.0964 -39.109 37.6621 -39.109 -22.9736 -3.78563 37.6622 -3.78563 -8.50286 GPRESSAVG: 1270200 -28.8833 -38.1864 36.2403 -40.6553 -22.5674 -3.39217 38.839 -5.62577 -9.11242 TIMING: 1270200 CPU: 3689.23, 0.00289205/step Wall: 3689.23, 0.00289205/step, 2.99633 hours remaining, 205.468750 MB of memory in use. ENERGY: 1270200 764.0967 2096.8621 1960.4267 104.2078 -205787.1694 17507.5781 0.0000 0.0000 34188.7103 -149165.2876 298.5785 -183353.9980 -149067.5949 298.8949 -209.0918 -178.8684 558104.2502 -20.1909 -20.1877 PRESSURE: 1270400 -35.787 58.8867 24.5624 58.8867 -365.79 -37.4431 24.5622 -37.4419 137.726 GPRESSURE: 1270400 -48.9209 -1.05594 77.5141 153.548 -251.326 19.5843 -22.9694 -129.387 135.362 PRESSAVG: 1270400 27.8307 -16.6739 -42.6844 -16.6738 -42.8626 45.4865 -42.6845 45.4865 43.0238 GPRESSAVG: 1270400 27.5282 -17.3236 -41.4856 -12.7615 -41.9924 44.3743 -42.5852 45.4036 42.6137 TIMING: 1270400 CPU: 3689.81, 0.00289389/step Wall: 3689.81, 0.00289389/step, 2.99807 hours remaining, 205.468750 MB of memory in use. ENERGY: 1270400 725.3316 2055.9813 1942.4664 107.7662 -205957.2590 17622.8476 0.0000 0.0000 34274.5172 -149228.3487 299.3279 -183502.8659 -149129.0418 299.2987 -87.9503 -54.9616 556734.9762 9.3307 9.3832 PRESSURE: 1270600 -177.831 185.117 9.43336 185.116 -204.272 192.78 9.434 192.779 -137.618 GPRESSURE: 1270600 -155.476 111.219 -18.1105 142.03 -198.387 285.654 -49.7966 84.767 -80.0456 PRESSAVG: 1270600 47.8708 -20.4201 -33.1776 -20.4201 -67.9375 23.6925 -33.1776 23.6926 46.4125 GPRESSAVG: 1270600 47.6041 -18.5935 -32.2241 -22.9793 -67.6904 25.6715 -35.1003 23.3842 46.507 TIMING: 1270600 CPU: 3690.39, 0.00289788/step Wall: 3690.39, 0.00289788/step, 3.00204 hours remaining, 205.671875 MB of memory in use. ENERGY: 1270600 759.6674 2117.6256 1953.9114 116.9557 -205933.4945 17602.3155 0.0000 0.0000 34042.8445 -149340.1745 297.3046 -183383.0190 -149242.5480 299.4768 -173.2401 -144.6361 557946.3436 8.7820 8.8069 PRESSURE: 1270800 50.0736 81.0264 -178.408 81.0288 -269.128 -98.4369 -178.409 -98.437 -255.412 GPRESSURE: 1270800 87.2956 -28.5288 -172.665 90.6092 -251.546 -207.464 -70.4819 -24.8819 -210.41 PRESSAVG: 1270800 47.5706 10.2344 -27.2547 10.2344 -25.7943 -4.36381 -27.2546 -4.36388 -43.68 GPRESSAVG: 1270800 48.0834 8.2189 -29.0049 9.50217 -27.3261 -5.27156 -25.3227 -4.08582 -42.6058 TIMING: 1270800 CPU: 3690.96, 0.00288644/step Wall: 3690.96, 0.00288644/step, 2.99003 hours remaining, 205.671875 MB of memory in use. ENERGY: 1270800 773.7307 2072.2206 1952.2985 106.0250 -206157.5823 17859.4995 0.0000 0.0000 34134.6726 -149259.1355 298.1066 -183393.8080 -149155.2089 298.8855 -158.1553 -124.8868 558641.4099 -7.3012 -7.2828 PRESSURE: 1271000 -105.916 -70.9761 -73.444 -70.9753 -344.322 32.7406 -73.4446 32.7403 -163.022 GPRESSURE: 1271000 -120.68 16.8804 -103.797 -206.088 -289.387 -21.8647 -30.6452 62.191 -130.725 PRESSAVG: 1271000 -24.6692 -11.4663 -65.7136 -11.4663 -13.493 22.0696 -65.7135 22.0697 53.6818 GPRESSAVG: 1271000 -26.2502 -8.73307 -63.9247 -12.7014 -13.2553 22.3296 -66.4919 21.3045 54.5137 TIMING: 1271000 CPU: 3691.54, 0.00290551/step Wall: 3691.54, 0.00290551/step, 3.00963 hours remaining, 205.671875 MB of memory in use. ENERGY: 1271000 794.6324 2089.5922 1969.8090 118.0007 -205709.3281 17471.9981 0.0000 0.0000 34114.4379 -149150.8577 297.9299 -183265.2956 -149059.5830 299.5872 -204.4200 -180.2641 558420.0353 5.1732 5.0027 PRESSURE: 1271200 -19.3045 170.658 120.323 170.659 37.6577 -29.2879 120.322 -29.2889 -223.015 GPRESSURE: 1271200 5.17407 114.906 147.993 182.755 50.9461 24.6754 110.701 12.2266 -160.727 PRESSAVG: 1271200 12.9811 23.7725 47.1485 23.7725 34.0278 -14.8407 47.1485 -14.8407 -51.555 GPRESSAVG: 1271200 13.676 22.4619 46.9843 23.6732 34.5133 -14.1876 47.6264 -15.463 -53.0531 TIMING: 1271200 CPU: 3692.12, 0.00286823/step Wall: 3692.12, 0.00286823/step, 2.97085 hours remaining, 205.671875 MB of memory in use. ENERGY: 1271200 736.4689 2112.0518 1960.6266 109.8886 -206133.1206 17727.9225 0.0000 0.0000 34242.2729 -149243.8894 299.0463 -183486.1623 -149152.3171 299.3556 -68.2207 -34.8690 557681.6060 -1.5154 -1.6213 PRESSURE: 1271400 174.761 -6.7585 57.438 -6.75975 -229.95 -11.9628 57.438 -11.963 145.558 GPRESSURE: 1271400 203.067 -27.8617 -5.24451 -0.293119 -177.868 -59.2383 113.863 8.80428 154.173 PRESSAVG: 1271400 3.05331 29.4235 -25.6638 29.4235 -23.6308 36.7638 -25.6639 36.764 21.8829 GPRESSAVG: 1271400 3.65814 30.6892 -25.2485 28.8187 -25.0827 36.1433 -25.857 37.8585 22.816 TIMING: 1271400 CPU: 3692.7, 0.00290098/step Wall: 3692.7, 0.00290098/step, 3.00461 hours remaining, 205.671875 MB of memory in use. ENERGY: 1271400 703.2065 2128.0207 1962.3462 119.4313 -205917.0930 17600.4190 0.0000 0.0000 34313.2483 -149090.4210 299.6661 -183403.6694 -148996.8982 298.9567 30.1230 59.7908 557477.7723 0.4351 0.4638 PRESSURE: 1271600 -212.937 -21.075 42.356 -21.0751 -60.3764 57.1449 42.3567 57.1443 -118.496 GPRESSURE: 1271600 -170.957 -56.5346 5.15154 54.9043 -46.6491 45.7446 -9.73646 49.6931 -81.7503 PRESSAVG: 1271600 -0.397141 -7.05841 -1.86756 -7.05844 1.95362 -15.3924 -1.86757 -15.3924 -17.4296 GPRESSAVG: 1271600 -0.563664 -8.07563 -2.59235 -5.5129 2.38819 -15.933 -3.02874 -17.0467 -16.8729 TIMING: 1271600 CPU: 3693.28, 0.00289408/step Wall: 3693.28, 0.00289407/step, 2.9973 hours remaining, 205.671875 MB of memory in use. ENERGY: 1271600 791.9834 2086.3480 1982.8953 112.9477 -206365.4226 17606.3006 0.0000 0.0000 34369.0541 -149415.8937 300.1535 -183784.9478 -149309.8165 298.7300 -130.6029 -99.7854 556444.6057 -5.2910 -5.0161 PRESSURE: 1271800 -55.25 2.66595 93.8963 2.66551 56.4785 42.9362 93.8975 42.9359 237.18 GPRESSURE: 1271800 -58.1561 -23.8608 23.8849 17.1505 79.2744 0.524147 42.025 9.51772 316.712 PRESSAVG: 1271800 -8.98958 -23.3564 23.9842 -23.3563 -11.0406 -8.13552 23.9843 -8.13557 15.2681 GPRESSAVG: 1271800 -8.71817 -22.502 22.5433 -25.2958 -10.6309 -9.22092 23.9741 -6.08343 14.6065 TIMING: 1271800 CPU: 3693.86, 0.00292127/step Wall: 3693.86, 0.00292127/step, 3.0253 hours remaining, 205.671875 MB of memory in use. ENERGY: 1271800 737.6401 2098.8482 1958.1222 113.7177 -206713.6651 18019.9738 0.0000 0.0000 34150.3663 -149634.9968 298.2436 -183785.3631 -149540.2589 298.0128 79.4695 112.6103 557232.6717 -1.5874 -1.5809 PRESSURE: 1272000 -26.3231 -35.8388 -85.8683 -35.839 -174.545 110.228 -85.8698 110.229 -87.2418 GPRESSURE: 1272000 24.0247 -12.2389 2.97072 -78.248 -181.855 152.601 -44.9583 46.025 -35.3834 PRESSAVG: 1272000 -16.3141 16.5278 17.6671 16.5278 -37.4581 -18.1061 17.6669 -18.1062 37.6212 GPRESSAVG: 1272000 -17.1492 15.6221 19.5555 16.5521 -37.6377 -18.0326 15.9354 -18.0656 37.8226 TIMING: 1272000 CPU: 3694.44, 0.00291253/step Wall: 3694.44, 0.00291253/step, 3.01609 hours remaining, 205.671875 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: 1272000 720.0580 2108.4597 1980.2283 105.5194 -206146.8868 17658.8780 0.0000 0.0000 34130.8905 -149442.8528 298.0736 -183573.7433 -149339.7240 297.8858 -96.0367 -64.4046 558218.4322 -5.3837 -5.6548 PRESSURE: 1272200 -23.1819 -36.9209 -23.8131 -36.9208 -114.689 -72.4093 -23.8136 -72.4102 -34.8415 GPRESSURE: 1272200 48.1193 -55.0595 -159.74 -29.0882 -103.163 -44.1615 86.8357 -20.7747 -3.85054 PRESSAVG: 1272200 -46.7385 -0.496296 -24.9312 -0.496316 16.2733 -38.3268 -24.9312 -38.3269 72.5775 GPRESSAVG: 1272200 -47.4482 -0.651906 -25.5004 0.244602 17.5429 -37.3156 -20.8163 -35.8529 71.8842 TIMING: 1272200 CPU: 3695.02, 0.00290661/step Wall: 3695.02, 0.00290661/step, 3.0098 hours remaining, 205.671875 MB of memory in use. ENERGY: 1272200 739.3066 2061.7989 1962.6679 114.2389 -206417.6331 17852.6407 0.0000 0.0000 34133.7070 -149553.2730 298.0982 -183686.9800 -149459.9976 297.5699 -57.5708 -19.6315 557209.9345 14.0374 13.9929 LDB: ============= START OF LOAD BALANCING ============== 3698.49 LDB: ============== END OF LOAD BALANCING =============== 3698.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3698.49 LDB: ============= START OF LOAD BALANCING ============== 3698.78 LDB: Largest compute 4820 load 0.028244 is 24.0% of average load 0.117654 LDB: Average compute 0.001739 is 1.5% of average load 0.117654 LDB: TIME 3698.78 LOAD: AVG 0.117654 MAX 0.17959 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.496 MB LDB: TIME 3698.78 LOAD: AVG 0.117654 MAX 0.17959 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.559 MB LDB: TIME 3698.78 LOAD: AVG 0.117654 MAX 0.17959 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3698.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3698.79 PRESSURE: 1272400 -48.1411 32.3988 -163.542 32.3997 397.967 171.931 -163.542 171.931 310.693 GPRESSURE: 1272400 10.0142 89.8324 -132.65 -39.786 440.035 144.426 -171.317 97.1034 298.783 PRESSAVG: 1272400 26.6437 48.4618 19.1735 48.4617 -43.4529 20.7814 19.1734 20.7814 35.9246 GPRESSAVG: 1272400 27.979 46.6844 19.3671 49.1368 -43.7903 21.2653 17.4928 16.6336 35.2857 TIMING: 1272400 CPU: 3695.61, 0.0029503/step Wall: 3695.61, 0.0029503/step, 3.05487 hours remaining, 203.726562 MB of memory in use. ENERGY: 1272400 730.1254 2155.6661 1962.2989 119.1822 -206709.7878 18105.6962 0.0000 0.0000 34114.7038 -149522.1153 297.9322 -183636.8191 -149425.8113 298.2085 220.1729 249.6108 556672.5395 6.3718 6.4914 PRESSURE: 1272600 -37.5066 -11.7534 132.909 -11.7529 -88.8207 134.633 132.909 134.633 328.441 GPRESSURE: 1272600 -35.424 -7.4606 63.8164 -37.1402 -30.2147 203.268 161.477 99.9647 366.055 PRESSAVG: 1272600 -6.02838 94.8257 -4.07632 94.8257 -103.772 78.6989 -4.07636 78.699 51.9211 GPRESSAVG: 1272600 -6.83548 95.4197 -4.88864 91.8735 -103.227 79.001 -3.99994 79.2319 52.4315 TIMING: 1272600 CPU: 3696.2, 0.00290557/step Wall: 3696.2, 0.00290557/step, 3.00839 hours remaining, 203.925781 MB of memory in use. ENERGY: 1272600 781.6102 2139.2954 1971.6666 124.6078 -206298.6965 17959.4010 0.0000 0.0000 34007.7790 -149314.3364 296.9984 -183322.1154 -149217.9927 299.1179 67.3713 100.1389 556984.2671 -19.2932 -19.2105 PRESSURE: 1272800 -228.636 187.302 -104.265 187.302 -164.502 72.7139 -104.266 72.7139 96.0697 GPRESSURE: 1272800 -199.423 146.291 -86.1347 211.161 -162.977 -19.7904 -118.887 96.2636 148.781 PRESSAVG: 1272800 -49.7738 15.2926 43.5388 15.2926 51.6469 4.20437 43.5387 4.2043 7.59252 GPRESSAVG: 1272800 -48.6629 14.8709 44.3673 17.3864 50.1477 2.94219 42.9058 5.2726 7.54226 TIMING: 1272800 CPU: 3696.77, 0.00289335/step Wall: 3696.77, 0.00289335/step, 2.99559 hours remaining, 203.925781 MB of memory in use. ENERGY: 1272800 760.0469 2121.0970 1986.4466 115.0616 -206162.1421 17692.4232 0.0000 0.0000 34205.3024 -149281.7644 298.7234 -183487.0668 -149181.5481 299.0184 -99.0228 -71.2063 556464.9383 3.1552 3.0090 PRESSURE: 1273000 -158.184 -64.4769 -31.687 -64.4775 -310.664 34.2097 -31.6875 34.2091 -153.227 GPRESSURE: 1273000 -137.877 -3.04154 31.8473 -78.2732 -291.178 63.3889 -80.6973 15.3753 -103.642 PRESSAVG: 1273000 -81.1034 -3.87765 -20.4267 -3.87768 22.5368 25.6782 -20.4267 25.6782 26.8905 GPRESSAVG: 1273000 -82.4062 -2.45436 -20.3939 -3.59552 22.8009 28.196 -20.8231 22.1573 27.4814 TIMING: 1273000 CPU: 3697.35, 0.00288465/step Wall: 3697.35, 0.00288465/step, 2.98641 hours remaining, 203.925781 MB of memory in use. ENERGY: 1273000 754.4429 2041.9120 1987.0461 119.0566 -206125.9518 17705.0687 0.0000 0.0000 34082.4830 -149435.9425 297.6508 -183518.4255 -149337.8740 297.8466 -207.3584 -177.5658 557129.3170 -10.5587 -10.7080 PRESSURE: 1273200 -191.101 -46.6826 98.2038 -46.6821 -82.3256 53.7021 98.2026 53.7022 75.3436 GPRESSURE: 1273200 -162.597 -115.961 86.3051 -23.3302 -58.0248 70.3671 78.3384 47.9505 111.369 PRESSAVG: 1273200 -16.726 -20.9303 43.309 -20.9304 -54.7558 -14.2421 43.3091 -14.2421 49.3184 GPRESSAVG: 1273200 -17.3352 -22.4306 43.3464 -18.1599 -53.5828 -16.4351 44.288 -11.7352 48.6657 TIMING: 1273200 CPU: 3697.94, 0.00291919/step Wall: 3697.94, 0.00291919/step, 3.02201 hours remaining, 203.925781 MB of memory in use. ENERGY: 1273200 733.0038 2102.1806 1942.9358 116.9142 -206042.0051 17611.6957 0.0000 0.0000 34151.3708 -149383.9041 298.2524 -183535.2749 -149293.7369 298.8205 -66.0276 -36.4176 557528.2334 -7.3878 -7.4175 PRESSURE: 1273400 -209.849 -79.6468 -83.8567 -79.6464 317.02 67.5702 -83.8565 67.5707 64.3966 GPRESSURE: 1273400 -143.402 -44.8175 -24.0803 4.59112 308.172 55.389 -101.615 64.1539 90.1471 PRESSAVG: 1273400 -151.286 3.30761 -10.8502 3.30762 31.9317 -38.9977 -10.8503 -38.9977 65.8791 GPRESSAVG: 1273400 -150.602 3.40619 -10.6322 1.3775 31.5643 -39.1664 -11.0379 -36.437 66.0522 TIMING: 1273400 CPU: 3698.52, 0.00290463/step Wall: 3698.52, 0.00290463/step, 3.00678 hours remaining, 203.925781 MB of memory in use. ENERGY: 1273400 717.5028 2119.7146 1976.0913 114.2515 -206167.4406 17864.5054 0.0000 0.0000 34256.8136 -149118.5613 299.1733 -183375.3749 -149025.6524 298.6851 57.1891 84.9725 557220.1406 -17.8249 -17.6618 PRESSURE: 1273600 -304.481 120.741 -43.9659 120.741 -251.524 -171.542 -43.9667 -171.543 -216.888 GPRESSURE: 1273600 -260.478 24.9563 64.4848 90.5499 -196.443 -180.878 -99.3376 -198.536 -220.482 PRESSAVG: 1273600 8.8726 7.87936 -31.2349 7.87936 -50.9146 -22.0663 -31.2349 -22.0662 28.8632 GPRESSAVG: 1273600 9.355 9.52659 -30.1435 8.451 -51.8661 -19.8012 -30.6996 -24.3979 29.2625 TIMING: 1273600 CPU: 3699.1, 0.00290299/step Wall: 3699.1, 0.00290299/step, 3.00492 hours remaining, 203.925781 MB of memory in use. ENERGY: 1273600 738.2782 2138.8867 1969.1151 122.4350 -205727.8853 17292.7033 0.0000 0.0000 34378.4096 -149088.0572 300.2352 -183466.4668 -148987.3918 299.6331 -257.6311 -225.8011 559393.1986 -4.3929 -4.4162 PRESSURE: 1273800 413.2 -169 74.1424 -169 -58.1336 -133.234 74.1415 -133.233 196.077 GPRESSURE: 1273800 416.114 -85.1193 80.657 -175.96 -27.6002 -182.758 38.793 -85.2553 252.103 PRESSAVG: 1273800 31.4526 -20.359 -14.1063 -20.3589 35.939 -32.3138 -14.1064 -32.3137 -14.4741 GPRESSAVG: 1273800 31.5784 -20.5151 -13.3206 -20.6906 36.1566 -34.5634 -16.3271 -32.2208 -15.2115 TIMING: 1273800 CPU: 3699.68, 0.00289228/step Wall: 3699.68, 0.00289228/step, 2.99367 hours remaining, 203.925781 MB of memory in use. ENERGY: 1273800 729.8516 2097.5877 1945.9484 121.2264 -206302.0834 18190.3205 0.0000 0.0000 34094.6475 -149122.5013 297.7570 -183217.1488 -149031.0848 299.2217 183.7145 213.5390 556983.2053 17.6392 17.5078 PRESSURE: 1274000 -312.058 69.8262 48.6171 69.8256 -46.8783 114.883 48.6164 114.883 -90.7808 GPRESSURE: 1274000 -264.05 81.2456 -7.89299 57.9403 -8.35877 182.808 44.0041 87.0016 -75.4122 PRESSAVG: 1274000 19.6459 -4.30236 -19.6209 -4.30228 -44.7705 -20.5442 -19.6208 -20.5443 30.4902 GPRESSAVG: 1274000 20.0464 -4.63557 -19.0913 -5.21936 -44.6044 -20.719 -18.222 -19.3476 30.1639 TIMING: 1274000 CPU: 3700.25, 0.00289761/step Wall: 3700.25, 0.00289761/step, 2.99903 hours remaining, 203.925781 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: 1274000 779.0677 2074.6225 1947.2773 105.6109 -205834.0763 17634.9731 0.0000 0.0000 34215.1496 -149077.3753 298.8094 -183292.5249 -148978.1647 299.1221 -149.9057 -115.9402 558035.1397 1.7885 1.8687 PRESSURE: 1274200 299.824 -8.83722 74.9122 -8.83735 78.5825 54.2365 74.9114 54.2358 23.6629 GPRESSURE: 1274200 334.612 15.2597 111.456 -16.9589 94.4794 96.3965 101.593 39.5699 74.9411 PRESSAVG: 1274200 3.75964 30.1934 30.5084 30.1934 -5.86783 -5.55688 30.5084 -5.55694 -11.5181 GPRESSAVG: 1274200 2.74263 29.9726 28.9613 33.4237 -5.38222 -3.74804 29.1932 -7.28707 -10.4342 TIMING: 1274200 CPU: 3700.83, 0.00288181/step Wall: 3700.83, 0.00288181/step, 2.98251 hours remaining, 203.925781 MB of memory in use. ENERGY: 1274200 752.5047 2153.2030 1958.3063 119.3187 -206262.4138 17994.0798 0.0000 0.0000 34249.2579 -149035.7434 299.1073 -183285.0013 -148940.6289 299.4848 134.0231 168.0109 556297.1996 -4.5421 -4.3579 PRESSURE: 1274400 215.325 4.05208 -160.615 4.05188 56.4627 38.2353 -160.614 38.2363 42.517 GPRESSURE: 1274400 212.002 -40.2248 -77.95 29.8327 131.968 65.7347 -190.666 66.6866 61.5321 PRESSAVG: 1274400 71.4078 4.89191 -4.76895 4.89191 -74.2592 9.41298 -4.76902 9.41307 36.5435 GPRESSAVG: 1274400 71.7501 4.99706 -5.34903 4.55173 -75.6547 9.34367 -4.05369 9.51995 37.6626 TIMING: 1274400 CPU: 3701.41, 0.00288289/step Wall: 3701.41, 0.00288289/step, 2.98347 hours remaining, 203.925781 MB of memory in use. ENERGY: 1274400 753.9716 2110.3622 1946.8030 101.9020 -206218.8024 17982.8353 0.0000 0.0000 34282.8598 -149040.0684 299.4007 -183322.9283 -148958.4763 299.6920 104.7682 135.1675 557510.6635 11.2307 11.2527 PRESSURE: 1274600 -113.868 49.2888 -25.7203 49.2885 -300.346 -35.1897 -25.7207 -35.1882 183.22 GPRESSURE: 1274600 -70.2448 78.9821 -14.7958 56.4926 -252.268 11.2236 -47.1513 -126.107 195.189 PRESSAVG: 1274600 -12.1988 38.9765 -22.9462 38.9766 -9.39753 17.2708 -22.9461 17.2707 33.4881 GPRESSAVG: 1274600 -12.3147 38.0946 -22.0501 37.0773 -7.75202 18.5164 -22.7475 16.7739 31.7146 TIMING: 1274600 CPU: 3701.98, 0.00288257/step Wall: 3701.98, 0.00288257/step, 2.98298 hours remaining, 203.925781 MB of memory in use. ENERGY: 1274600 708.3482 2146.2487 1939.0276 112.8644 -206017.8926 17799.9226 0.0000 0.0000 34215.6354 -149095.8457 298.8137 -183311.4811 -148993.1529 299.6083 -76.9979 -42.4413 559145.0831 3.9639 3.8826 PRESSURE: 1274800 -131.251 -2.11809 -122.861 -2.11819 -98.385 63.611 -122.861 63.6112 -478.995 GPRESSURE: 1274800 -68.3608 35.5359 -87.3898 -133.514 -152.94 39.1917 -94.546 -21.1983 -396.696 PRESSAVG: 1274800 0.781192 30.8428 -8.08003 30.8428 -32.4008 52.09 -8.08004 52.09 40.5223 GPRESSAVG: 1274800 1.37701 29.6902 -8.68033 32.9409 -34.3082 51.2145 -7.80667 52.4249 41.9108 TIMING: 1274800 CPU: 3702.56, 0.00289493/step Wall: 3702.56, 0.00289493/step, 2.99561 hours remaining, 203.925781 MB of memory in use. ENERGY: 1274800 757.1041 2132.9855 1952.8408 94.6707 -205752.8650 17439.4290 0.0000 0.0000 34408.9175 -148966.9175 300.5016 -183375.8350 -148871.4006 299.6347 -236.2102 -205.9988 558828.5723 2.9675 2.9932 PRESSURE: 1275000 89.1936 30.3422 -73.9197 30.3436 70.2152 215.765 -73.9185 215.766 -68.7681 GPRESSURE: 1275000 73.5475 44.487 -129.834 115.453 181.289 195.296 11.5238 181.17 -55.7737 PRESSAVG: 1275000 5.61431 8.66291 -42.0981 8.66277 26.0568 -20.0842 -42.098 -20.0842 -32.879 GPRESSAVG: 1275000 5.26261 10.3214 -43.5859 4.71615 28.3824 -21.8344 -42.1839 -17.6496 -34.5813 TIMING: 1275000 CPU: 3703.15, 0.00291088/step Wall: 3703.15, 0.00291088/step, 3.01195 hours remaining, 203.925781 MB of memory in use. ENERGY: 1275000 777.9972 2077.7469 1959.2060 111.7615 -206354.9389 18019.6673 0.0000 0.0000 34300.3848 -149108.1752 299.5538 -183408.5600 -149011.2833 299.6107 30.2135 66.3544 557447.6766 -0.4026 -0.3121 PRESSURE: 1275200 62.6027 -26.5365 -6.3247 -26.5357 171.68 -16.5529 -6.32547 -16.5531 -340.176 GPRESSURE: 1275200 125.097 -25.6701 -64.7276 92.388 192.169 -18.1174 81.3314 5.26495 -324.277 PRESSAVG: 1275200 9.56128 20.3327 -30.7696 20.3328 15.0555 30.0395 -30.7696 30.0395 -15.7789 GPRESSAVG: 1275200 10.6757 18.7038 -29.9478 22.1008 13.1024 32.7013 -30.0647 27.1512 -14.6678 TIMING: 1275200 CPU: 3703.72, 0.00289653/step Wall: 3703.72, 0.00289653/step, 2.99695 hours remaining, 203.925781 MB of memory in use. ENERGY: 1275200 759.2303 2060.6950 1953.5945 114.2856 -206199.7567 17787.8769 0.0000 0.0000 34449.4235 -149074.6510 300.8554 -183524.0745 -148973.7083 300.1884 -35.2977 -2.3370 557894.1465 2.9460 3.0368 PRESSURE: 1275400 -482.306 -66.0323 82.384 -66.0324 -239.787 76.034 82.3832 76.0335 -293.545 GPRESSURE: 1275400 -426.809 -101.406 130.895 -75.3764 -203.241 -20.1269 76.5991 -11.3882 -289.366 PRESSAVG: 1275400 -45.1739 27.5533 17.8099 27.5533 64.9806 43.9039 17.81 43.904 -52.6444 GPRESSAVG: 1275400 -45.3199 30.5743 18.4823 26.7405 64.073 41.4794 16.5942 45.9687 -52.2926 TIMING: 1275400 CPU: 3704.3, 0.00288527/step Wall: 3704.3, 0.00288527/step, 2.98514 hours remaining, 203.925781 MB of memory in use. ENERGY: 1275400 740.5905 2090.5542 1955.4490 110.5832 -205538.8732 17394.7418 0.0000 0.0000 34124.3334 -149122.6211 298.0163 -183246.9545 -149022.3651 300.0211 -338.5463 -306.4719 560837.5038 -10.9459 -11.1799 PRESSURE: 1275600 -298.691 32.5917 51.8005 32.5903 -18.6633 -12.853 51.8013 -12.8538 309.375 GPRESSURE: 1275600 -288.414 16.8201 39.0935 7.72787 89.8969 11.0899 44.9447 -20.0882 284.346 PRESSAVG: 1275600 -0.724078 46.2911 -4.37436 46.291 22.4981 16.7713 -4.37438 16.7713 7.48828 GPRESSAVG: 1275600 -1.30001 44.0635 -3.58404 47.1058 23.2691 18.3642 -3.90332 17.2601 7.56259 TIMING: 1275600 CPU: 3704.88, 0.00288574/step Wall: 3704.88, 0.00288574/step, 2.98546 hours remaining, 203.925781 MB of memory in use. ENERGY: 1275600 748.9844 2134.2656 1951.8425 125.3756 -206246.9570 17765.7670 0.0000 0.0000 34377.7338 -149142.9881 300.2293 -183520.7219 -149046.9831 298.8221 -2.6597 28.6097 558236.8013 9.7541 9.8439 PRESSURE: 1275800 -46.9625 -119.752 56.5267 -119.752 -75.3644 109.095 56.5273 109.097 -70.9209 GPRESSURE: 1275800 -7.18014 -63.5325 -65.0638 -100.077 -53.0602 96.9647 82.6322 140.722 -35.7205 PRESSAVG: 1275800 -3.25793 3.04866 -43.5819 3.04865 -33.6832 0.608163 -43.5818 0.608184 47.2469 GPRESSAVG: 1275800 -4.04738 4.53359 -45.715 1.73693 -32.7391 -0.33793 -43.634 -1.95146 47.4973 TIMING: 1275800 CPU: 3705.46, 0.00289306/step Wall: 3705.46, 0.00289306/step, 2.99287 hours remaining, 203.925781 MB of memory in use. ENERGY: 1275800 721.2329 2079.5206 1971.8133 119.9795 -205948.0459 17709.4919 0.0000 0.0000 34185.4760 -149160.5318 298.5503 -183346.0078 -149066.8395 299.2938 -64.4159 -31.9869 557844.0903 3.4352 3.5703 PRESSURE: 1276000 50.3044 -135.21 107.797 -135.208 -146.576 -25.4499 107.798 -25.451 -182.589 GPRESSURE: 1276000 75.7616 -190.72 79.4762 -52.8412 -86.4266 -73.4352 163.376 -8.7852 -170.731 PRESSAVG: 1276000 13.366 49.6409 4.26857 49.6409 23.0127 6.19542 4.26866 6.19539 -67.5246 GPRESSAVG: 1276000 15.7657 48.4362 5.32237 51.5893 20.9505 6.792 3.98425 6.73473 -67.9916 TIMING: 1276000 CPU: 3706.04, 0.0028926/step Wall: 3706.04, 0.0028926/step, 2.99223 hours remaining, 203.925781 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: 1276000 736.4290 2085.3287 1944.3758 123.0957 -206288.8967 17572.7496 0.0000 0.0000 34444.5572 -149382.3607 300.8129 -183826.9179 -149281.0855 299.1784 -92.9538 -60.4654 556001.6644 -10.3820 -10.4252 PRESSURE: 1276200 -320.502 -40.4271 -51.9385 -40.4262 90.6603 -26.6813 -51.9388 -26.6814 28.3703 GPRESSURE: 1276200 -256.961 -0.759537 -29.9203 -56.0773 78.5949 -74.4731 -14.2868 -105.391 78.2443 PRESSAVG: 1276200 -9.40588 -22.9677 -45.8935 -22.9678 26.7623 -24.2006 -45.8936 -24.2004 -28.9336 GPRESSAVG: 1276200 -11.659 -24.0264 -44.238 -22.7818 28.2289 -25.6283 -46.6433 -22.224 -28.0259 TIMING: 1276200 CPU: 3706.61, 0.00288462/step Wall: 3706.61, 0.00288462/step, 2.98382 hours remaining, 203.925781 MB of memory in use. ENERGY: 1276200 754.2946 2108.6818 1991.2610 113.1653 -206186.0422 17781.9158 0.0000 0.0000 34158.2841 -149278.4396 298.3128 -183436.7237 -149187.3535 299.1809 -67.1571 -33.3739 556315.5920 -3.8591 -3.8186 LDB: ============= START OF LOAD BALANCING ============== 3710.08 LDB: ============== END OF LOAD BALANCING =============== 3710.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3710.08 LDB: ============= START OF LOAD BALANCING ============== 3710.37 LDB: Largest compute 4820 load 0.028345 is 24.1% of average load 0.117628 LDB: Average compute 0.001735 is 1.5% of average load 0.117628 LDB: TIME 3710.37 LOAD: AVG 0.117628 MAX 0.178367 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.727 MB LDB: TIME 3710.37 LOAD: AVG 0.117628 MAX 0.178367 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.969 MB LDB: TIME 3710.37 LOAD: AVG 0.117628 MAX 0.178367 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3710.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3710.38 PRESSURE: 1276400 -93.7346 -62.3982 -57.688 -62.3986 -3.7028 91.7774 -57.6869 91.7766 -15.2136 GPRESSURE: 1276400 -47.5853 -28.9715 1.87556 -62.6577 35.7221 100.661 -32.5157 35.5281 -16.0927 PRESSAVG: 1276400 -23.0156 -54.7246 2.61724 -54.7246 52.8226 49.8763 2.61726 49.8764 -50.9793 GPRESSAVG: 1276400 -21.6473 -54.2597 0.575954 -54.714 52.5887 51.498 4.49005 48.721 -51.9903 TIMING: 1276400 CPU: 3707.2, 0.00294767/step Wall: 3707.2, 0.00294767/step, 3.04887 hours remaining, 204.757812 MB of memory in use. ENERGY: 1276400 737.7287 2079.8759 1917.5274 112.6556 -206485.0071 17832.5863 0.0000 0.0000 34455.5416 -149349.0916 300.9088 -183804.6332 -149253.6058 298.9688 -37.5503 -9.3186 556921.1713 -7.0574 -7.0163 PRESSURE: 1276600 -26.171 -164.316 31.5383 -164.317 151.867 -47.3917 31.538 -47.3903 106.199 GPRESSURE: 1276600 -12.173 -193.755 -29.3792 -66.0541 198.351 -111.656 48.7056 12.4956 144.198 PRESSAVG: 1276600 0.043687 -64.116 -19.1129 -64.116 62.5315 23.749 -19.1128 23.7491 0.864282 GPRESSAVG: 1276600 0.357138 -65.7774 -18.1171 -63.9509 62.605 23.6498 -20.1988 22.1141 0.304246 TIMING: 1276600 CPU: 3707.78, 0.0029012/step Wall: 3707.78, 0.0029012/step, 3.00065 hours remaining, 204.796875 MB of memory in use. ENERGY: 1276600 714.6959 2103.4967 1975.1999 110.2846 -206308.7946 17939.1375 0.0000 0.0000 34233.8035 -149232.1765 298.9723 -183465.9800 -149127.5630 299.4965 77.2984 110.1253 557792.1731 21.1465 21.0888 PRESSURE: 1276800 -202.047 -109.663 -159.605 -109.662 -196.012 119.57 -159.603 119.571 -68.0332 GPRESSURE: 1276800 -135.086 5.21422 -165.299 -125.28 -186.729 60.8619 -153.243 157.497 -45.8638 PRESSAVG: 1276800 30.797 11.0452 22.4011 11.0453 8.6999 19.5956 22.401 19.5957 -61.292 GPRESSAVG: 1276800 30.8798 12.9384 23.986 10.8111 9.16278 17.5309 22.6214 20.4141 -61.4623 TIMING: 1276800 CPU: 3708.36, 0.00288895/step Wall: 3708.36, 0.00288895/step, 2.98782 hours remaining, 204.796875 MB of memory in use. ENERGY: 1276800 723.3859 2092.3835 1948.5937 115.8121 -206037.5261 17702.9935 0.0000 0.0000 34258.0709 -149196.2865 299.1843 -183454.3573 -149100.0454 299.0378 -155.3642 -122.5595 559186.7908 -7.2650 -7.1399 PRESSURE: 1277000 -173.424 -132.352 -23.7668 -132.353 -33.6602 31.5925 -23.7666 31.5932 -20.558 GPRESSURE: 1277000 -111.929 -128.365 95.0369 -150.704 -42.1723 32.0895 -81.0347 -26.4744 13.6649 PRESSAVG: 1277000 39.2861 -28.3228 -68.9352 -28.3228 25.1519 12.0889 -68.9352 12.089 -84.3756 GPRESSAVG: 1277000 38.5756 -27.5409 -70.0511 -30.2598 25.4696 12.9693 -68.3872 13.24 -83.2741 TIMING: 1277000 CPU: 3708.94, 0.00289651/step Wall: 3708.94, 0.00289651/step, 2.99548 hours remaining, 204.796875 MB of memory in use. ENERGY: 1277000 699.3876 2118.4745 1957.9714 120.6932 -205928.0041 17682.1570 0.0000 0.0000 34134.3674 -149214.9531 298.1039 -183349.3204 -149117.9323 298.4710 -75.8807 -46.8120 559038.3695 -6.6459 -6.4096 PRESSURE: 1277200 -95.2148 -0.689764 -147.138 -0.689668 150.485 65.1413 -147.137 65.1403 -330.162 GPRESSURE: 1277200 -76.1672 68.4571 15.5418 -85.7395 146.128 103.974 -267.202 58.0322 -256.76 PRESSAVG: 1277200 22.0835 -18.2672 -9.7779 -18.2673 -30.9918 17.9699 -9.77784 17.9699 -1.99367 GPRESSAVG: 1277200 22.6038 -19.5607 -10.8783 -17.2775 -31.8743 18.1647 -9.9207 20.8969 -2.37104 TIMING: 1277200 CPU: 3709.52, 0.00289439/step Wall: 3709.52, 0.00289439/step, 2.99312 hours remaining, 204.796875 MB of memory in use. ENERGY: 1277200 775.2560 2132.5810 1941.4876 107.5513 -206293.7133 17933.6700 0.0000 0.0000 34209.5227 -149193.6447 298.7603 -183403.1674 -149097.9571 298.7382 -91.6306 -62.2664 558573.3942 -3.6340 -3.8805 PRESSURE: 1277400 -147.912 7.88393 -49.3234 7.88376 -300.243 -52.6171 -49.3224 -52.6176 150.947 GPRESSURE: 1277400 -112.092 93.8891 -108.374 -12.6985 -250.337 -105.648 9.07162 -71.3465 152.651 PRESSAVG: 1277400 -18.5418 -5.12571 20.306 -5.12571 -8.36188 27.5931 20.306 27.5932 15.0815 GPRESSAVG: 1277400 -18.9883 -4.99745 19.6935 -4.10938 -8.8925 30.1372 21.912 24.0483 16.2058 TIMING: 1277400 CPU: 3710.1, 0.00290129/step Wall: 3710.1, 0.00290129/step, 3.0001 hours remaining, 204.863281 MB of memory in use. ENERGY: 1277400 731.1986 2121.8551 1961.0239 122.9394 -205967.8900 17668.5992 0.0000 0.0000 34257.9489 -149104.3250 299.1832 -183362.2739 -149016.1266 299.1628 -99.0690 -69.9257 558890.1804 -3.9407 -3.8917 PRESSURE: 1277600 80.255 66.3651 11.1213 66.3645 58.9504 -51.8288 11.1194 -51.8279 -144.039 GPRESSURE: 1277600 134.127 127.403 70.5706 -36.8255 40.4603 -29.2178 -37.5482 17.2267 -81.3333 PRESSAVG: 1277600 -91.0256 49.6654 -28.9029 49.6654 46.03 -23.7397 -28.9029 -23.7396 100.557 GPRESSAVG: 1277600 -90.722 50.7002 -27.0108 48.1433 46.6978 -26.1747 -29.5477 -21.9241 99.9776 TIMING: 1277600 CPU: 3710.68, 0.00291298/step Wall: 3710.68, 0.00291298/step, 3.01202 hours remaining, 204.863281 MB of memory in use. ENERGY: 1277600 729.3548 2085.5733 1950.0348 128.1708 -206181.5733 17872.6836 0.0000 0.0000 34167.3324 -149248.4236 298.3918 -183415.7561 -149154.9083 299.5578 -1.6113 31.0846 559062.9144 18.5205 18.6511 PRESSURE: 1277800 -180.698 -74.8911 39.0639 -74.8926 84.1368 199.537 39.064 199.538 14.1305 GPRESSURE: 1277800 -175.085 -59.4425 93.8416 -112.988 110.356 145.167 81.4009 162.496 69.2775 PRESSAVG: 1277800 79.5664 8.96231 6.33594 8.96235 -60.7728 3.42529 6.33599 3.42528 -43.9052 GPRESSAVG: 1277800 79.54 10.5381 8.24261 9.42222 -60.6631 5.89783 5.6211 1.89289 -43.9729 TIMING: 1277800 CPU: 3711.26, 0.0029141/step Wall: 3711.26, 0.0029141/step, 3.01302 hours remaining, 204.863281 MB of memory in use. ENERGY: 1277800 786.8748 2060.5802 1942.9890 104.1425 -206325.9607 17897.1695 0.0000 0.0000 34135.0065 -149399.1981 298.1095 -183534.2046 -149302.6357 298.4221 -27.4769 1.5161 557127.1492 -8.3706 -8.3653 PRESSURE: 1278000 -10.6378 152.747 39.7046 152.747 -1.32022 -175.195 39.7053 -175.196 -250.332 GPRESSURE: 1278000 -25.2096 149.653 79.5771 201.579 75.0208 -114.272 94.8455 -142.397 -224.513 PRESSAVG: 1278000 49.1464 33.1968 -32.2578 33.1968 -8.11868 27.5753 -32.2578 27.5752 -3.88985 GPRESSAVG: 1278000 48.4733 31.1589 -33.4409 32.77 -9.59404 26.3034 -31.4122 29.7704 -2.35186 TIMING: 1278000 CPU: 3711.85, 0.0029151/step Wall: 3711.85, 0.0029151/step, 3.01388 hours remaining, 204.863281 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: 1278000 744.1057 2025.5202 1961.9387 122.4303 -206177.2921 17809.6587 0.0000 0.0000 34151.0765 -149362.5619 298.2498 -183513.6384 -149265.0426 298.4180 -87.4300 -58.2340 558036.8492 12.3793 12.1758 PRESSURE: 1278200 183.695 49.5694 -34.3533 49.5701 183.666 75.1731 -34.354 75.1712 92.4162 GPRESSURE: 1278200 181.889 55.4685 -109.82 97.8986 243.867 76.3288 -64.5912 10.8778 120.326 PRESSAVG: 1278200 4.61743 -4.60497 14.8934 -4.60503 16.1752 6.70305 14.8933 6.70307 -40.1702 GPRESSAVG: 1278200 2.75033 -4.1601 13.6813 -4.33312 18.7444 6.42282 14.419 5.37354 -40.5625 TIMING: 1278200 CPU: 3712.42, 0.00288385/step Wall: 3712.42, 0.00288385/step, 2.98142 hours remaining, 204.863281 MB of memory in use. ENERGY: 1278200 726.6524 2057.1377 1930.6611 102.4074 -206581.3051 18183.7886 0.0000 0.0000 34194.6793 -149385.9786 298.6306 -183580.6579 -149297.2479 298.6342 153.2589 182.0270 556821.0885 -6.4592 -6.3559 PRESSURE: 1278400 -54.3937 -25.9016 8.09573 -25.9017 240.562 49.9035 8.09606 49.9036 -70.7501 GPRESSURE: 1278400 23.0055 -70.7762 107.935 -20.7637 202.108 -70.5638 -36.2704 73.6569 -14.3758 PRESSAVG: 1278400 -11.6838 -77.3183 51.087 -77.3182 -13.0297 5.48234 51.0871 5.48238 32.2614 GPRESSAVG: 1278400 -8.85983 -79.087 52.4596 -75.2742 -13.8178 3.44093 50.4119 5.15852 30.5643 TIMING: 1278400 CPU: 3713.01, 0.00291964/step Wall: 3713.01, 0.00291963/step, 3.01825 hours remaining, 204.863281 MB of memory in use. ENERGY: 1278400 730.4226 2125.6874 1932.0461 116.3857 -206358.2972 17828.3895 0.0000 0.0000 34036.3444 -149589.0214 297.2479 -183625.3658 -149500.1959 298.6979 38.4727 70.2459 557412.8082 2.5160 2.6289 PRESSURE: 1278600 104.596 4.62648 200.893 4.62506 50.3474 -2.17675 200.894 -2.17931 -111.098 GPRESSURE: 1278600 82.2054 -87.1621 187.307 47.7901 32.1113 -86.6637 212.427 87.1659 23.8874 PRESSAVG: 1278600 29.8961 12.9595 -11.6512 12.9594 -10.9355 -50.0463 -11.6513 -50.0464 6.20529 GPRESSAVG: 1278600 29.0019 13.6126 -12.1915 12.9863 -9.63251 -49.7493 -10.6276 -48.6619 6.02127 TIMING: 1278600 CPU: 3713.59, 0.00291093/step Wall: 3713.59, 0.00291093/step, 3.00909 hours remaining, 204.863281 MB of memory in use. ENERGY: 1278600 750.3925 2112.2729 1929.4518 117.2698 -206683.1192 17986.5108 0.0000 0.0000 34154.9711 -149632.2503 298.2839 -183787.2214 -149548.3387 298.0075 14.6151 46.0680 555596.2489 8.3886 8.4635 PRESSURE: 1278800 90.3607 26.5897 3.41417 26.59 -169.383 -95.5644 3.41387 -95.5627 7.93048 GPRESSURE: 1278800 83.0933 51.2393 -79.3975 19.0477 -110.7 -25.7157 9.5882 -128.847 38.5783 PRESSAVG: 1278800 27.9076 -44.5708 16.9104 -44.5707 -20.8181 -23.6296 16.9104 -23.6296 17.5068 GPRESSAVG: 1278800 28.3968 -43.9583 15.5416 -44.8237 -21.6749 -23.6158 17.7501 -23.6154 17.7335 TIMING: 1278800 CPU: 3714.17, 0.00288722/step Wall: 3714.17, 0.00288722/step, 2.98442 hours remaining, 204.863281 MB of memory in use. ENERGY: 1278800 720.2777 2074.6617 1952.4322 117.6724 -206134.6835 17627.7852 0.0000 0.0000 34125.3915 -149516.4629 298.0255 -183641.8544 -149421.7459 298.3657 -23.6973 3.6573 555314.9971 8.1988 8.1518 PRESSURE: 1279000 329.428 128.327 56.7179 128.325 249.974 -56.237 56.7179 -56.2372 42.2482 GPRESSURE: 1279000 390.903 170.769 9.1667 84.1442 309.843 -53.3643 84.7503 6.60807 10.8673 PRESSAVG: 1279000 49.3907 11.3374 37.1842 11.3374 -62.4876 -65.6871 37.1842 -65.687 -4.87746 GPRESSAVG: 1279000 49.6736 11.4054 39.4935 11.0543 -61.7854 -64.9587 34.9258 -66.8254 -5.19243 TIMING: 1279000 CPU: 3714.75, 0.0029076/step Wall: 3714.75, 0.0029076/step, 3.00533 hours remaining, 204.863281 MB of memory in use. ENERGY: 1279000 747.5846 2110.6749 1948.4817 106.6794 -206680.1589 18139.5113 0.0000 0.0000 34264.8829 -149362.3441 299.2437 -183627.2270 -149265.5864 299.0228 207.2170 237.2042 555718.4046 -5.9915 -5.7681 PRESSURE: 1279200 -4.18882 23.0693 -36.9592 23.0692 114.988 -53.0517 -36.9596 -53.0507 -226.379 GPRESSURE: 1279200 -2.04982 -9.61164 5.96237 -24.4268 134.903 -26.9052 -51.2325 -5.94075 -154.986 PRESSAVG: 1279200 14.4726 3.11163 -7.7442 3.1117 61.5166 -85.3796 -7.74424 -85.3795 -61.3713 GPRESSAVG: 1279200 14.106 3.28783 -7.64839 3.5204 60.8365 -85.5246 -6.59169 -84.6388 -60.1628 TIMING: 1279200 CPU: 3715.33, 0.00291352/step Wall: 3715.33, 0.00291352/step, 3.01128 hours remaining, 204.863281 MB of memory in use. ENERGY: 1279200 704.3620 2126.9414 1937.1305 110.1896 -206555.7518 17898.0950 0.0000 0.0000 34313.4309 -149465.6024 299.6677 -183779.0333 -149369.2221 299.1460 -38.5264 -7.3777 556597.9230 4.8726 4.9266 PRESSURE: 1279400 -54.3595 -64.4517 -24.8286 -64.4523 133.652 -3.33635 -24.8293 -3.33552 11.9039 GPRESSURE: 1279400 -1.25446 -37.6198 17.8279 -118.725 181.373 43.4831 -65.6568 51.5756 11.9464 PRESSAVG: 1279400 33.0467 37.3232 16.3104 37.3232 29.5054 -43.5021 16.3104 -43.5022 -71.74 GPRESSAVG: 1279400 33.9562 38.9036 15.7636 37.1905 29.774 -42.2925 15.264 -45.2944 -73.3267 TIMING: 1279400 CPU: 3715.91, 0.00289947/step Wall: 3715.91, 0.00289946/step, 2.9966 hours remaining, 204.863281 MB of memory in use. ENERGY: 1279400 692.1303 2055.9498 1954.6143 112.0103 -206124.2880 17708.6697 0.0000 0.0000 34099.2382 -149501.6755 297.7971 -183600.9137 -149404.5505 298.9743 30.3987 64.0217 555182.9469 -3.0626 -3.1989 PRESSURE: 1279600 198.414 99.1731 41.4404 99.1734 123.244 -84.3381 41.4399 -84.3359 120.762 GPRESSURE: 1279600 215.168 64.3957 39.151 7.00072 167.16 -74.3179 52.4742 -29.8367 151.142 PRESSAVG: 1279600 13.6508 5.02087 27.5253 5.02077 8.61121 37.4086 27.5253 37.4086 6.86449 GPRESSAVG: 1279600 12.6038 2.38097 27.4274 4.99639 7.65896 35.0114 28.8117 42.7961 8.6254 TIMING: 1279600 CPU: 3716.49, 0.00290653/step Wall: 3716.49, 0.00290653/step, 3.00373 hours remaining, 204.863281 MB of memory in use. ENERGY: 1279600 707.9395 2077.6821 2002.4018 109.9310 -206399.7665 17982.0867 0.0000 0.0000 34130.0991 -149389.6262 298.0666 -183519.7253 -149296.4760 298.7503 147.4735 177.8232 556649.2560 9.7088 9.6294 PRESSURE: 1279800 -40.0214 -50.5464 67.3109 -50.5462 -42.2755 -41.9375 67.3108 -41.9375 -231.763 GPRESSURE: 1279800 -35.8091 -42.1785 53.0633 -30.7829 -12.9413 -162.672 58.8651 1.76126 -163.368 PRESSAVG: 1279800 13.051 -21.8034 -5.14252 -21.8035 -3.8649 -33.7115 -5.14237 -33.7114 -10.6615 GPRESSAVG: 1279800 13.2629 -19.9083 -4.13348 -21.7144 -3.11709 -32.3444 -6.3619 -37.7125 -11.588 TIMING: 1279800 CPU: 3717.07, 0.00290145/step Wall: 3717.07, 0.00290144/step, 2.99832 hours remaining, 204.863281 MB of memory in use. ENERGY: 1279800 724.1434 2047.2447 1971.5268 106.2040 -205974.7059 17572.1200 0.0000 0.0000 34274.5252 -149278.9418 299.3280 -183553.4670 -149181.8509 299.2273 -104.6867 -70.7062 556716.2844 -0.4918 -0.4807 PRESSURE: 1280000 27.6245 -111.499 75.3272 -111.5 -85.6371 124.045 75.3269 124.045 -142.063 GPRESSURE: 1280000 94.4918 -97.7812 80.5031 -106.113 -35.7316 170.18 187.785 78.0782 -158.494 PRESSAVG: 1280000 14.8975 -10.1859 71.2823 -10.1858 -40.3224 -51.6692 71.2825 -51.6692 63.3599 GPRESSAVG: 1280000 15.818 -10.4264 70.8497 -10.4719 -40.4863 -50.2471 73.3369 -51.5909 63.154 TIMING: 1280000 CPU: 3717.65, 0.00288671/step Wall: 3717.65, 0.00288671/step, 2.98293 hours remaining, 204.863281 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: 1280000 765.9072 2115.9001 1944.8375 119.6523 -205859.4258 17566.7362 0.0000 0.0000 34191.0162 -149155.3763 298.5986 -183346.3925 -149061.9619 299.4438 -66.6920 -33.2445 557306.2556 12.6450 12.8286 PRESSURE: 1280200 117.037 -82.8791 -133.237 -82.8793 -190.739 50.6776 -133.236 50.677 8.62835 GPRESSURE: 1280200 146.785 -151.183 -108.624 -112.317 -146.847 39.2358 -50.094 30.1284 32.3379 PRESSAVG: 1280200 51.6252 -3.36494 35.8645 -3.36492 -53.3538 -3.65156 35.8644 -3.65159 -25.2615 GPRESSAVG: 1280200 50.0386 -3.36836 34.7924 -2.85926 -53.5265 -5.64285 34.8587 -3.10095 -23.8529 TIMING: 1280200 CPU: 3718.23, 0.00289288/step Wall: 3718.23, 0.00289288/step, 2.98915 hours remaining, 204.863281 MB of memory in use. ENERGY: 1280200 732.0379 2088.2979 1952.3864 130.7337 -206256.4396 17896.5926 0.0000 0.0000 34269.9425 -149186.4485 299.2879 -183456.3910 -149079.2911 299.5118 -21.6913 10.7587 558733.2482 -8.9967 -9.1136 LDB: ============= START OF LOAD BALANCING ============== 3721.7 LDB: ============== END OF LOAD BALANCING =============== 3721.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3721.7 LDB: ============= START OF LOAD BALANCING ============== 3721.99 LDB: Largest compute 4820 load 0.029051 is 24.7% of average load 0.117684 LDB: Average compute 0.001731 is 1.5% of average load 0.117684 LDB: TIME 3721.99 LOAD: AVG 0.117684 MAX 0.177034 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.727 MB LDB: TIME 3721.99 LOAD: AVG 0.117684 MAX 0.177034 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.93 MB LDB: TIME 3721.99 LOAD: AVG 0.117684 MAX 0.177034 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.93 MB LDB: ============== END OF LOAD BALANCING =============== 3721.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3722 PRESSURE: 1280400 344.555 -102.007 136.376 -102.008 169.421 113.28 136.375 113.28 28.5594 GPRESSURE: 1280400 335.096 -157.988 244.511 34.7057 225.861 103.554 154.179 113.02 65.6479 PRESSAVG: 1280400 6.7379 -44.4147 45.6283 -44.4147 -17.7271 -23.1899 45.6283 -23.19 35.32 GPRESSAVG: 1280400 8.20425 -43.1322 47.0344 -44.354 -17.1033 -24.6328 46.2146 -21.9073 33.1077 TIMING: 1280400 CPU: 3718.82, 0.0029573/step Wall: 3718.82, 0.0029573/step, 3.05554 hours remaining, 205.230469 MB of memory in use. ENERGY: 1280400 758.7314 2103.2168 1949.7745 110.3826 -206450.8311 18176.7100 0.0000 0.0000 34007.1754 -149344.8404 296.9931 -183352.0157 -149251.5966 299.2459 180.8450 208.8682 557064.8126 8.1103 8.0695 PRESSURE: 1280600 -12.993 -77.2256 -23.2599 -77.2268 -131.374 -60.1555 -23.2601 -60.1556 -87.7141 GPRESSURE: 1280600 33.4258 -36.9296 -70.0216 -82.0683 -142.302 19.0702 72.1481 -83.8661 -29.6808 PRESSAVG: 1280600 44.8424 15.1139 71.44 15.1139 2.24982 19.5688 71.44 19.5688 -5.77767 GPRESSAVG: 1280600 45.4029 12.6128 71.8995 15.5469 0.995202 21.3874 70.0003 17.0058 -5.126 TIMING: 1280600 CPU: 3719.4, 0.00288687/step Wall: 3719.4, 0.00288687/step, 2.98262 hours remaining, 205.335938 MB of memory in use. ENERGY: 1280600 778.0360 2106.5704 1954.7477 118.1294 -206335.8784 17750.1398 0.0000 0.0000 34110.8942 -149517.3609 297.8989 -183628.2551 -149420.5530 298.6824 -77.3602 -46.1855 556240.7878 13.7715 13.7574 PRESSURE: 1280800 -46.8554 116.6 -120.354 116.601 32.7999 -124.236 -120.353 -124.235 56.0186 GPRESSURE: 1280800 2.575 100.868 -15.825 112.766 51.4118 -17.5483 -236.865 -116.896 77.3601 PRESSAVG: 1280800 100.284 34.5286 39.9101 34.5287 -25.3752 19.4508 39.9101 19.4507 -38.5759 GPRESSAVG: 1280800 99.2609 35.127 39.3725 33.2479 -24.2435 19.6923 40.8375 21.3783 -38.4358 TIMING: 1280800 CPU: 3719.98, 0.00288708/step Wall: 3719.98, 0.00288708/step, 2.98267 hours remaining, 205.335938 MB of memory in use. ENERGY: 1280800 752.2400 2154.0635 1970.9764 135.8420 -206736.2723 18038.0694 0.0000 0.0000 34266.1325 -149418.9485 299.2547 -183685.0811 -149321.7873 299.2519 13.9877 43.7823 557044.0245 12.1110 12.1938 PRESSURE: 1281000 12.5532 75.4527 5.3356 75.4512 -153.644 3.02752 5.3349 3.02708 -75.8558 GPRESSURE: 1281000 39.7047 106.061 -134.842 10.4087 -63.5938 -15.8897 24.4146 17.3137 -103.022 PRESSAVG: 1281000 7.08373 -1.01389 -25.1924 -1.01399 -28.7313 18.5197 -25.1924 18.5198 -11.0349 GPRESSAVG: 1281000 6.73447 0.768718 -27.4234 -1.40674 -28.1348 16.827 -22.939 20.1132 -11.8836 TIMING: 1281000 CPU: 3720.56, 0.00290707/step Wall: 3720.56, 0.00290707/step, 3.00317 hours remaining, 205.394531 MB of memory in use. ENERGY: 1281000 742.5319 2022.2026 1961.0533 119.6339 -206091.4814 17765.7875 0.0000 0.0000 34132.0006 -149348.2715 298.0833 -183480.2721 -149250.0161 298.8275 -72.3155 -42.3037 557655.7757 -10.8942 -11.0947 PRESSURE: 1281200 -188.131 72.4312 -115.727 72.4303 180.466 61.455 -115.726 61.4547 -22.718 GPRESSURE: 1281200 -127.356 46.6631 -110 81.3243 202.113 21.959 -88.7735 3.78726 -11.4323 PRESSAVG: 1281200 -12.1206 -43.2636 1.58867 -43.2636 18.3916 -10.3901 1.58879 -10.3902 -17.6917 GPRESSAVG: 1281200 -12.5143 -43.1833 3.30269 -44.4788 17.4129 -7.2553 0.133404 -13.6735 -16.7475 TIMING: 1281200 CPU: 3721.14, 0.00289302/step Wall: 3721.14, 0.00289302/step, 2.98849 hours remaining, 205.394531 MB of memory in use. ENERGY: 1281200 758.8769 2125.5763 1954.0620 111.5429 -206529.6527 17975.4718 0.0000 0.0000 34065.4333 -149538.6895 297.5019 -183604.1228 -149442.4783 298.6135 -10.1277 21.1082 556415.2155 -3.8069 -3.9496 PRESSURE: 1281400 -72.8369 -97.1479 109.429 -97.1471 24.5575 -1.31093 109.428 -1.31321 -65.2227 GPRESSURE: 1281400 -42.4635 -140.193 51.4915 -62.7072 16.8811 -0.665565 116.215 52.5376 -5.07516 PRESSAVG: 1281400 -17.3688 23.1423 -12.9707 23.1422 21.6154 73.6674 -12.9706 73.6675 3.83289 GPRESSAVG: 1281400 -16.729 22.7078 -13.1983 24.5714 22.6754 69.1739 -15.0597 74.8669 2.14606 TIMING: 1281400 CPU: 3721.72, 0.00289954/step Wall: 3721.72, 0.00289954/step, 2.99506 hours remaining, 205.394531 MB of memory in use. ENERGY: 1281400 739.7430 2107.9540 1931.9455 114.9641 -206068.1205 17616.5441 0.0000 0.0000 33996.2900 -149560.6799 296.8981 -183556.9699 -149462.0337 298.3913 -37.8340 -10.2192 557689.7731 2.6932 2.6975 PRESSURE: 1281600 -132.582 28.1786 49.7733 28.1774 204.316 -32.604 49.7732 -32.6052 2.96182 GPRESSURE: 1281600 -151.611 -46.6088 -60.8479 45.9482 284.053 24.6157 65.408 94.6594 39.8646 PRESSAVG: 1281600 -45.7871 8.30123 29.7609 8.30122 63.2521 0.701904 29.761 0.701869 0.169559 GPRESSAVG: 1281600 -45.3271 7.19703 30.8144 9.38929 61.8855 3.42956 31.2368 -0.522369 1.02052 TIMING: 1281600 CPU: 3722.3, 0.00291086/step Wall: 3722.3, 0.00291086/step, 3.00659 hours remaining, 205.394531 MB of memory in use. ENERGY: 1281600 797.5588 2048.1271 1943.5354 122.2719 -206718.7824 18055.2864 0.0000 0.0000 34204.7517 -149547.2511 298.7186 -183752.0028 -149453.5824 298.4214 24.8987 57.4356 557079.5993 5.8782 5.8596 PRESSURE: 1281800 -255.651 -48.3099 29.3713 -48.3094 60.239 156.991 29.3704 156.992 -2.01881 GPRESSURE: 1281800 -173.932 -100.019 72.4623 32.6875 68.5054 62.7995 -1.78394 179.579 -8.74375 PRESSAVG: 1281800 -35.7353 5.62684 17.1192 5.62688 27.828 18.8737 17.1193 18.8737 -6.49647 GPRESSAVG: 1281800 -35.8908 8.7572 15.662 3.30462 27.9652 18.3824 18.7275 18.9181 -6.23251 TIMING: 1281800 CPU: 3722.88, 0.00290861/step Wall: 3722.88, 0.00290861/step, 3.00411 hours remaining, 205.394531 MB of memory in use. ENERGY: 1281800 747.5776 2066.8606 1948.0627 109.2480 -206429.4678 17813.7565 0.0000 0.0000 34235.7354 -149508.2270 298.9892 -183743.9625 -149411.1877 298.5777 -65.8102 -38.0568 557604.2833 -4.8012 -4.7194 PRESSURE: 1282000 54.5429 -146.469 -137.288 -146.468 37.9625 -65.9545 -137.289 -65.9553 -185.448 GPRESSURE: 1282000 54.8262 -183.575 -63.9598 -101.087 79.2593 54.7198 -70.8257 -123.123 -133.473 PRESSAVG: 1282000 62.1035 -24.2807 -17.5831 -24.2807 27.5836 39.2221 -17.5832 39.2221 -63.7879 GPRESSAVG: 1282000 61.2806 -27.2003 -16.5999 -21.0155 28.629 39.6226 -18.6958 40.0805 -64.385 TIMING: 1282000 CPU: 3723.46, 0.00290182/step Wall: 3723.46, 0.00290182/step, 2.99694 hours remaining, 205.394531 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: 1282000 755.6458 2119.7449 1942.4751 101.0776 -206725.2391 18074.6131 0.0000 0.0000 34177.2399 -149554.4427 298.4783 -183731.6826 -149456.8147 298.7587 -30.9808 0.2042 557524.7458 8.6331 8.5082 PRESSURE: 1282200 -330.753 97.7528 47.6588 97.7528 -198.346 70.9847 47.6603 70.9842 -271.238 GPRESSURE: 1282200 -308.764 218.974 -57.4798 -23.9227 -129.409 99.7179 119.903 100.651 -261.595 PRESSAVG: 1282200 -24.2621 14.0935 3.84772 14.0936 28.9361 -10.9552 3.84779 -10.9553 -15.7087 GPRESSAVG: 1282200 -23.8212 15.672 0.470902 11.544 28.7152 -10.8368 6.27275 -12.1967 -16.4411 TIMING: 1282200 CPU: 3724.04, 0.00289129/step Wall: 3724.04, 0.00289129/step, 2.9859 hours remaining, 205.394531 MB of memory in use. ENERGY: 1282200 798.2141 2074.8658 1951.9740 101.1378 -205960.3508 17546.2706 0.0000 0.0000 33980.2048 -149507.6836 296.7576 -183487.8884 -149411.0377 298.7656 -266.7791 -233.2558 556197.8995 -3.6782 -3.8490 PRESSURE: 1282400 -131.31 -153.851 -55.1952 -153.85 77.6191 -130.134 -55.1946 -130.132 -138.345 GPRESSURE: 1282400 -61.0049 -75.9491 -23.1457 -252.153 57.1262 -186.201 -15.6466 3.16261 -97.4234 PRESSAVG: 1282400 -60.8849 -19.9232 14.5435 -19.9231 15.7154 -5.19343 14.5436 -5.19344 45.2806 GPRESSAVG: 1282400 -61.3979 -21.2794 16.869 -19.2864 16.347 -5.30324 12.4289 -3.1761 45.2416 TIMING: 1282400 CPU: 3724.62, 0.00289514/step Wall: 3724.62, 0.00289513/step, 2.98971 hours remaining, 205.394531 MB of memory in use. ENERGY: 1282400 702.0770 2093.7739 1953.2858 115.3477 -206189.5841 17713.7639 0.0000 0.0000 34075.2513 -149536.0845 297.5876 -183611.3358 -149442.2877 297.9177 -64.0119 -33.7674 556325.8672 0.0370 0.0635 PRESSURE: 1282600 -326.827 225.047 -128.807 225.048 -363.804 94.9417 -128.807 94.9398 50.2602 GPRESSURE: 1282600 -256.197 222.111 -108.521 142.358 -353.441 39.6627 -122.926 159.603 60.969 PRESSAVG: 1282600 -26.1374 22.1977 -35.359 22.1977 12.313 10.1764 -35.3589 10.1763 -2.74408 GPRESSAVG: 1282600 -25.7984 22.6672 -36.0536 22.503 10.7437 11.6317 -35.2881 8.87699 -1.80956 TIMING: 1282600 CPU: 3725.2, 0.00289812/step Wall: 3725.2, 0.00289812/step, 2.99263 hours remaining, 205.394531 MB of memory in use. ENERGY: 1282600 759.5765 2117.1453 1959.6307 121.9616 -206095.9106 17664.0787 0.0000 0.0000 34057.8853 -149415.6325 297.4360 -183473.5178 -149320.2568 299.1642 -213.4568 -182.8897 557406.7402 -5.5228 -5.6214 PRESSURE: 1282800 102.698 -8.12372 -157.842 -8.12277 -452.265 66.7028 -157.841 66.704 -123.941 GPRESSURE: 1282800 87.4301 51.381 -197.434 -42.9972 -356.401 55.1698 -97.5357 118.625 -120.345 PRESSAVG: 1282800 38.9382 7.67396 -11.3796 7.67402 23.463 12.2905 -11.3795 12.2905 -35.2473 GPRESSAVG: 1282800 39.4692 7.64811 -9.94806 7.33266 23.6474 11.3411 -10.8502 12.0659 -35.8044 TIMING: 1282800 CPU: 3725.78, 0.00289933/step Wall: 3725.78, 0.00289933/step, 2.99372 hours remaining, 205.394531 MB of memory in use. ENERGY: 1282800 763.9185 2115.7907 1947.2578 111.1301 -206445.6366 17727.4224 0.0000 0.0000 34162.8498 -149617.2672 298.3527 -183780.1170 -149521.6005 298.2301 -157.8361 -129.7717 557282.1249 9.0513 9.1041 PRESSURE: 1283000 -225.766 86.9372 -15.676 86.9366 24.8402 29.4224 -15.6757 29.424 12.6631 GPRESSURE: 1283000 -161.482 107.556 -102.258 50.4838 22.625 13.3499 101.557 68.9834 49.7472 PRESSAVG: 1283000 52.9131 -7.33763 1.95708 -7.33754 -31.6347 28.0894 1.95694 28.0893 -66.0298 GPRESSAVG: 1283000 51.557 -8.89408 1.51713 -7.20229 -30.6153 27.4791 1.51168 28.3861 -65.6008 TIMING: 1283000 CPU: 3726.35, 0.00288969/step Wall: 3726.35, 0.00288969/step, 2.9836 hours remaining, 205.394531 MB of memory in use. ENERGY: 1283000 720.0351 2126.5700 1959.2421 117.7907 -206222.9270 17808.5712 0.0000 0.0000 34099.3594 -149391.3586 297.7982 -183490.7180 -149297.1667 297.7801 -62.7541 -29.7031 558648.0486 -14.9171 -14.8863 PRESSURE: 1283200 93.4748 87.8225 52.8961 87.8247 -12.3622 -32.1896 52.896 -32.1883 -110.322 GPRESSURE: 1283200 93.4262 100.154 11.3557 68.8429 23.0253 -64.9222 83.5261 -3.83292 -57.0957 PRESSAVG: 1283200 -29.2818 91.3566 -24.3208 91.3566 -5.78711 10.9401 -24.3209 10.94 -14.5181 GPRESSAVG: 1283200 -30.1715 94.0405 -24.7453 89.2498 -5.54861 11.2667 -23.5421 10.0584 -13.4692 TIMING: 1283200 CPU: 3726.93, 0.00288437/step Wall: 3726.93, 0.00288437/step, 2.97795 hours remaining, 205.394531 MB of memory in use. ENERGY: 1283200 743.3886 2061.0670 1941.0017 116.1884 -206224.0838 17823.5085 0.0000 0.0000 34226.4542 -149312.4755 298.9081 -183538.9296 -149217.1438 298.7285 -9.7363 19.7853 557857.7288 -16.5290 -16.3964 PRESSURE: 1283400 -32.2876 -119.156 23.037 -119.157 85.2108 29.5132 23.0374 29.5141 254.27 GPRESSURE: 1283400 25.3613 -16.5061 51.2856 -79.2156 80.2163 -1.31086 -13.9445 94.9994 300.862 PRESSAVG: 1283400 29.4401 12.9083 -7.11983 12.9082 -32.1454 -41.6238 -7.11983 -41.6238 43.8169 GPRESSAVG: 1283400 30.5857 11.8363 -5.75068 13.9933 -32.5514 -44.1618 -10.1493 -39.5788 43.3758 TIMING: 1283400 CPU: 3727.51, 0.00286971/step Wall: 3727.51, 0.00286971/step, 2.96266 hours remaining, 205.394531 MB of memory in use. ENERGY: 1283400 757.5183 2083.1609 1954.8195 114.6968 -206412.2063 17992.2393 0.0000 0.0000 34176.9149 -149332.8566 298.4755 -183509.7715 -149245.4940 299.2289 102.3976 135.4798 557907.0864 13.7039 13.8034 PRESSURE: 1283600 -177.395 13.8106 73.9531 13.8098 -308.725 -100.971 73.9512 -100.971 -318.162 GPRESSURE: 1283600 -148.739 -28.4018 30.5718 -2.67418 -272.595 -15.2408 71.4598 -151.376 -297.925 PRESSAVG: 1283600 -12.938 16.0592 28.5434 16.0592 -37.0373 -64.334 28.5434 -64.3341 -15.0297 GPRESSAVG: 1283600 -13.4293 15.0336 26.0271 15.9486 -36.9674 -61.4572 30.5497 -65.6244 -15.0188 TIMING: 1283600 CPU: 3728.08, 0.00289759/step Wall: 3728.08, 0.00289759/step, 2.99128 hours remaining, 205.394531 MB of memory in use. ENERGY: 1283600 781.1563 2111.5938 1935.3845 121.4263 -205834.6080 17499.3501 0.0000 0.0000 34165.8764 -149219.8205 298.3791 -183385.6969 -149126.6769 298.6289 -268.0938 -239.7529 557441.8014 -21.6683 -21.8051 PRESSURE: 1283800 87.7068 -18.7198 191.698 -18.719 48.4697 17.7912 191.698 17.7909 0.306987 GPRESSURE: 1283800 85.1949 -80.877 224.637 -2.64023 92.5196 83.5882 130.884 8.32143 62.7201 PRESSAVG: 1283800 -23.9274 -29.7659 30.9229 -29.7658 65.5845 8.38798 30.9229 8.38807 -16.1567 GPRESSAVG: 1283800 -23.9606 -26.2419 31.909 -29.5273 65.0864 7.92162 29.9776 7.87813 -15.0268 TIMING: 1283800 CPU: 3728.66, 0.00289233/step Wall: 3728.66, 0.00289232/step, 2.98568 hours remaining, 205.394531 MB of memory in use. ENERGY: 1283800 744.9304 2055.2582 1958.2574 125.1734 -206115.8558 17840.4178 0.0000 0.0000 34182.5854 -149209.2331 298.5250 -183391.8186 -149112.4718 298.9143 45.4945 80.1449 557027.9739 8.5001 8.6997 PRESSURE: 1284000 -45.6523 -24.3374 50.6151 -24.3374 193.728 145.081 50.6159 145.083 17.8184 GPRESSURE: 1284000 -26.1004 -63.0815 56.9024 1.80106 216.864 128.879 132.256 36.0996 59.3311 PRESSAVG: 1284000 -38.0165 -34.7537 104.291 -34.7536 56.3819 12.1664 104.291 12.1663 -60.3522 GPRESSAVG: 1284000 -37.7988 -35.5391 102.214 -34.0346 56.627 10.7163 105.901 11.5462 -60.884 TIMING: 1284000 CPU: 3729.24, 0.0028736/step Wall: 3729.24, 0.0028736/step, 2.9662 hours remaining, 205.394531 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: 1284000 745.9565 2114.7891 1945.5152 106.7662 -206304.6802 17856.5728 0.0000 0.0000 34332.8825 -149202.1979 299.8376 -183535.0804 -149112.9382 299.2559 55.2979 83.3650 556697.0429 -13.9956 -14.0186 PRESSURE: 1284200 -89.525 -82.423 147.134 -82.424 50.3168 -58.158 147.132 -58.1576 -106.096 GPRESSURE: 1284200 -36.9733 36.1184 166.267 -135.26 109.914 6.4695 87.4926 -7.46485 -92.9198 PRESSAVG: 1284200 -0.213629 -0.341439 16.8423 -0.341402 30.5954 43.4217 16.8424 43.4217 21.6769 GPRESSAVG: 1284200 -0.330855 -1.95669 20.3597 -1.35795 30.4078 44.5756 15.0122 43.2735 21.7435 TIMING: 1284200 CPU: 3729.82, 0.00289264/step Wall: 3729.82, 0.00289264/step, 2.98568 hours remaining, 205.394531 MB of memory in use. ENERGY: 1284200 784.4636 2040.4350 1960.4863 118.6622 -206211.8383 17992.6606 0.0000 0.0000 34063.9771 -149251.1535 297.4892 -183315.1306 -149157.1808 299.0612 -48.4347 -6.6598 558150.7446 17.3529 17.2735 LDB: ============= START OF LOAD BALANCING ============== 3733.28 LDB: ============== END OF LOAD BALANCING =============== 3733.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3733.28 LDB: ============= START OF LOAD BALANCING ============== 3733.57 LDB: Largest compute 4820 load 0.028775 is 24.5% of average load 0.117609 LDB: Average compute 0.001721 is 1.5% of average load 0.117609 LDB: TIME 3733.57 LOAD: AVG 0.117609 MAX 0.177832 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.566 MB LDB: TIME 3733.57 LOAD: AVG 0.117609 MAX 0.177832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: TIME 3733.57 LOAD: AVG 0.117609 MAX 0.177832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: ============== END OF LOAD BALANCING =============== 3733.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3733.58 PRESSURE: 1284400 200.958 -105.643 -93.017 -105.643 22.3349 -5.44615 -93.0176 -5.44549 -45.0564 GPRESSURE: 1284400 181.573 -52.5014 -59.0421 -141.909 86.917 -100.683 -73.7118 -10.4736 6.36255 PRESSAVG: 1284400 -1.62356 -8.93735 46.3604 -8.9373 16.6201 -9.95851 46.3603 -9.95836 38.0012 GPRESSAVG: 1284400 -1.36542 -6.87589 44.6938 -10.6035 16.5404 -11.0006 45.7718 -8.5706 37.5406 TIMING: 1284400 CPU: 3730.41, 0.00294555/step Wall: 3730.41, 0.00294555/step, 3.04014 hours remaining, 206.730469 MB of memory in use. ENERGY: 1284400 747.9877 2103.9178 1954.0613 120.9171 -206198.3622 17936.9171 0.0000 0.0000 34170.0510 -149164.5103 298.4156 -183334.5613 -149070.3424 298.9549 59.4123 91.6174 557990.9273 17.6659 17.5719 PRESSURE: 1284600 226.636 -5.12732 -38.244 -5.12857 -153.1 37.5707 -38.244 37.5693 358.818 GPRESSURE: 1284600 265.361 26.6938 22.2553 -40.3092 -82.8118 5.19851 -42.7958 -7.89482 344.287 PRESSAVG: 1284600 41.5998 26.9858 9.30094 26.9858 -20.2155 -49.0804 9.30083 -49.0803 7.36144 GPRESSAVG: 1284600 41.2452 26.2423 8.87523 27.9468 -19.4612 -48.1174 10.1496 -50.4318 6.98289 TIMING: 1284600 CPU: 3730.99, 0.00291005/step Wall: 3730.99, 0.00291005/step, 3.00334 hours remaining, 207.058594 MB of memory in use. ENERGY: 1284600 742.9741 2082.9455 1939.4091 96.1810 -206429.2254 17978.6762 0.0000 0.0000 34417.0841 -149171.9554 300.5730 -183589.0395 -149073.2946 299.3439 144.1181 175.6120 557340.6107 9.5819 9.5890 PRESSURE: 1284800 103.238 142.251 -39.4062 142.251 -226.52 -131.371 -39.4057 -131.371 -92.3236 GPRESSURE: 1284800 197.005 160.926 -14.5717 136.543 -212.876 -147.171 -10.1142 -106.857 -115.423 PRESSAVG: 1284800 70.2352 65.9177 12.6692 65.9177 -93.2655 -45.7708 12.6692 -45.7707 -2.70823 GPRESSAVG: 1284800 70.7524 64.1439 12.6029 66.023 -92.9903 -46.6764 10.3668 -44.7621 -3.20618 TIMING: 1284800 CPU: 3731.57, 0.0029031/step Wall: 3731.57, 0.0029031/step, 2.996 hours remaining, 207.058594 MB of memory in use. ENERGY: 1284800 762.6765 2062.2257 1972.4084 109.7408 -205882.4800 17620.1072 0.0000 0.0000 34284.3835 -149070.9380 299.4140 -183355.3215 -148969.3295 299.2825 -71.8687 -43.7650 556207.5535 -8.5795 -8.4813 PRESSURE: 1285000 -208.488 -68.4986 102.404 -68.4979 -53.6696 55.1934 102.403 55.1937 -98.7939 GPRESSURE: 1285000 -210.107 -147.865 84.4565 42.6058 -15.0257 141.131 76.3888 99.753 -41.7621 PRESSAVG: 1285000 -5.7187 6.12609 52.4443 6.12604 -12.7995 -39.1203 52.4442 -39.1203 47.134 GPRESSAVG: 1285000 -7.26414 6.94899 53.0849 7.59781 -12.6565 -38.9525 55.0249 -38.7999 48.4073 TIMING: 1285000 CPU: 3732.15, 0.00290428/step Wall: 3732.15, 0.00290428/step, 2.99706 hours remaining, 207.058594 MB of memory in use. ENERGY: 1285000 736.1179 2056.6993 1950.3551 106.4472 -205641.0816 17501.5693 0.0000 0.0000 34059.1784 -149230.7144 297.4473 -183289.8928 -149129.4890 299.4662 -120.3172 -88.9649 559088.0948 9.5386 9.4956 PRESSURE: 1285200 -87.6802 90.9922 83.5267 90.9916 127.614 147.852 83.5266 147.852 -120.534 GPRESSURE: 1285200 -121.146 47.894 54.7517 93.8286 180.979 193.497 -14.1096 34.2554 -54.3755 PRESSAVG: 1285200 13.3212 3.97339 53.486 3.97337 -27.932 -5.07672 53.4859 -5.07665 -4.5989 GPRESSAVG: 1285200 13.2977 4.21013 53.1912 2.03707 -28.6634 -4.40124 54.5904 -6.00513 -4.78299 TIMING: 1285200 CPU: 3732.72, 0.00287465/step Wall: 3732.72, 0.00287465/step, 2.96632 hours remaining, 207.058594 MB of memory in use. ENERGY: 1285200 738.6902 2077.0489 1947.6004 103.2083 -205906.4973 17759.6235 0.0000 0.0000 34165.5993 -149114.7267 298.3767 -183280.3260 -149018.3895 299.0458 -26.8668 1.8193 558850.6523 -6.4032 -6.7162 PRESSURE: 1285400 -210.273 -86.1706 -138.166 -86.1703 -152.748 -99.8807 -138.167 -99.8808 -101.885 GPRESSURE: 1285400 -210.239 -19.4374 -145.478 -105.812 -133.752 -172.025 -93.4519 -33.8451 -28.6221 PRESSAVG: 1285400 -74.5488 5.40659 12.6127 5.4065 43.4778 -2.33943 12.6126 -2.33946 3.79799 GPRESSAVG: 1285400 -73.2591 7.00014 12.9004 5.79171 42.5933 -2.75904 10.8058 -2.38835 3.58618 TIMING: 1285400 CPU: 3733.3, 0.0028845/step Wall: 3733.3, 0.0028845/step, 2.97633 hours remaining, 207.058594 MB of memory in use. ENERGY: 1285400 729.9971 2138.2044 1940.0806 102.5646 -205704.7864 17673.7332 0.0000 0.0000 34141.3632 -148978.8433 298.1650 -183120.2065 -148878.6805 299.8325 -154.9688 -124.2044 559420.4156 -9.0910 -9.0265 PRESSURE: 1285600 -334.023 55.2619 -129.419 55.2622 -5.88201 -25.7959 -129.419 -25.7961 -76.1986 GPRESSURE: 1285600 -286.614 90.8784 -85.6955 43.4033 14.064 -76.1208 -122.384 -24.9402 -39.3717 PRESSAVG: 1285600 -14.7289 -11.533 -11.3439 -11.5329 17.0306 -3.98535 -11.3438 -3.98529 24.9426 GPRESSAVG: 1285600 -14.9834 -12.9684 -12.7 -11.0663 18.0941 -3.10753 -10.3751 -3.93842 24.6102 TIMING: 1285600 CPU: 3733.88, 0.0028995/step Wall: 3733.88, 0.0028995/step, 2.99164 hours remaining, 207.058594 MB of memory in use. ENERGY: 1285600 713.3434 2083.8148 1948.7322 116.0136 -205252.2857 17272.6711 0.0000 0.0000 34224.3787 -148893.3320 298.8900 -183117.7107 -148796.4957 299.2331 -138.7014 -103.9738 559170.6751 9.0814 9.2403 PRESSURE: 1285800 -21.1678 -101.3 -116.03 -101.3 21.3156 -90.0036 -116.031 -90.0035 85.9987 GPRESSURE: 1285800 44.8813 13.6422 -112.118 -131.627 53.8971 -172.711 -48.4024 -42.8245 81.791 PRESSAVG: 1285800 -53.8234 27.6367 54.1587 27.6367 43.5432 -63.4252 54.1587 -63.4251 -6.46547 GPRESSAVG: 1285800 -53.2879 26.7389 54.4157 27.8652 43.582 -63.6933 53.9773 -64.4935 -6.36211 TIMING: 1285800 CPU: 3734.46, 0.00289379/step Wall: 3734.46, 0.00289379/step, 2.98559 hours remaining, 207.128906 MB of memory in use. ENERGY: 1285800 745.1547 2054.8121 1958.6769 115.1804 -206202.0811 17973.4164 0.0000 0.0000 34445.2546 -148909.5859 300.8190 -183354.8405 -148816.1094 299.8057 28.7155 60.1898 557328.9752 -5.5819 -5.3560 PRESSURE: 1286000 151.761 -100.517 148.875 -100.518 -173.324 220.13 148.875 220.131 -280.216 GPRESSURE: 1286000 244.726 -87.0866 171.002 -87.7879 -168.203 290.2 127.63 106.923 -292.081 PRESSAVG: 1286000 8.95065 -29.7635 20.8205 -29.7635 -10.6222 37.3426 20.8206 37.3426 26.2829 GPRESSAVG: 1286000 9.04429 -30.521 21.2426 -29.8992 -11.3365 35.8978 20.4472 37.9945 26.6904 TIMING: 1286000 CPU: 3735.04, 0.00289702/step Wall: 3735.04, 0.00289702/step, 2.98876 hours remaining, 207.128906 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: 1286000 781.6302 2086.2449 1956.7642 107.5800 -206122.3778 17758.4524 0.0000 0.0000 34370.6040 -149061.1020 300.1670 -183431.7061 -148972.4565 300.0663 -100.5930 -71.8527 557815.3802 8.2038 8.1327 PRESSURE: 1286200 131.495 113.576 -30.0598 113.577 -62.4966 176.795 -30.0603 176.794 -95.1073 GPRESSURE: 1286200 158.624 18.9244 -48.4808 87.2821 -47.7418 110.696 -8.0693 250.284 -36.828 PRESSAVG: 1286200 6.63831 45.5726 -13.1686 45.5727 -27.9233 27.7046 -13.1686 27.7046 16.3471 GPRESSAVG: 1286200 7.35319 47.7428 -10.4796 43.9614 -28.7807 29.4885 -12.6191 28.1151 16.4998 TIMING: 1286200 CPU: 3735.62, 0.00289852/step Wall: 3735.62, 0.00289852/step, 2.99014 hours remaining, 207.128906 MB of memory in use. ENERGY: 1286200 728.7534 2078.7149 1940.7586 112.9560 -206195.7159 17883.8037 0.0000 0.0000 34248.3077 -149202.4217 299.0990 -183450.7293 -149108.9742 299.2214 -8.7029 24.6848 558039.2000 -1.6460 -1.6426 PRESSURE: 1286400 50.8589 -16.8004 -117.147 -16.8001 -143.189 -41.8285 -117.146 -41.8297 -80.4509 GPRESSURE: 1286400 120.438 -68.7786 -51.1768 -9.63432 -116.826 -30.5052 -220.029 10.3461 -73.3375 PRESSAVG: 1286400 -28.0405 -39.5958 -27.8037 -39.5959 16.1913 31.2247 -27.8037 31.2248 30.1144 GPRESSAVG: 1286400 -29.4034 -40.5007 -30.36 -39.0236 16.8956 30.0194 -27.8586 32.6182 30.4695 TIMING: 1286400 CPU: 3736.2, 0.00292487/step Wall: 3736.2, 0.00292487/step, 3.01717 hours remaining, 207.328125 MB of memory in use. ENERGY: 1286400 739.5891 2093.6351 1972.3613 117.2020 -206080.7412 17700.3809 0.0000 0.0000 34359.3373 -149098.2354 300.0686 -183457.5727 -149004.6086 299.3779 -57.5938 -23.2417 558101.8326 6.0884 5.9872 PRESSURE: 1286600 88.9923 -27.7655 54.4721 -27.7652 -263.822 -6.13003 54.473 -6.12933 -65.919 GPRESSURE: 1286600 73.339 34.3878 62.6937 -71.2536 -230.463 -70.4958 33.5523 28.1821 16.5528 PRESSAVG: 1286600 3.73196 -31.0205 -12.125 -31.0205 -16.5987 47.5251 -12.1251 47.525 -19.5315 GPRESSAVG: 1286600 4.06093 -31.4625 -12.4814 -31.2369 -16.7323 47.9935 -12.5892 46.7878 -19.5449 TIMING: 1286600 CPU: 3736.79, 0.00293008/step Wall: 3736.79, 0.00293008/step, 3.02238 hours remaining, 207.328125 MB of memory in use. ENERGY: 1286600 751.8342 2150.8746 1977.5389 113.1792 -205985.5831 17770.5891 0.0000 0.0000 34285.8267 -148935.7404 299.4267 -183221.5671 -148844.7519 299.6164 -80.2494 -46.8571 557825.7678 -10.7994 -10.7388 PRESSURE: 1286800 -111.271 -102.434 138.668 -102.433 -19.8136 -9.18987 138.669 -9.19025 -108.657 GPRESSURE: 1286800 -101.405 -140.338 154.327 -67.9333 32.0129 -18.5645 157.374 -86.885 -53.5247 PRESSAVG: 1286800 -24.8309 -63.4543 17.3743 -63.4543 -0.614903 -15.7508 17.3743 -15.7507 26.3529 GPRESSAVG: 1286800 -24.8388 -63.6833 17.9797 -61.5953 -0.907107 -16.6242 15.9594 -14.6697 26.4722 TIMING: 1286800 CPU: 3737.37, 0.00290079/step Wall: 3737.37, 0.00290079/step, 2.99201 hours remaining, 207.328125 MB of memory in use. ENERGY: 1286800 725.9534 2125.2672 1957.8559 107.9179 -205673.0696 17677.6415 0.0000 0.0000 34376.4517 -148701.9820 300.2181 -183078.4337 -148603.6171 300.4581 -79.9139 -40.9722 559754.9735 0.3023 0.2421 PRESSURE: 1287000 286.646 -2.04558 -64.5745 -2.0471 -3.1019 109.394 -64.5755 109.394 132.681 GPRESSURE: 1287000 373.56 40.3343 -41.691 -9.44799 29.8582 76.7624 17.4573 87.8841 104.647 PRESSAVG: 1287000 -16.3538 10.6168 10.978 10.6169 -12.9474 3.9008 10.978 3.90097 54.9371 GPRESSAVG: 1287000 -16.9773 10.5955 8.92991 10.8282 -12.853 4.39869 12.4742 4.06041 55.3882 TIMING: 1287000 CPU: 3737.95, 0.00290379/step Wall: 3737.95, 0.00290379/step, 2.99493 hours remaining, 207.328125 MB of memory in use. ENERGY: 1287000 729.1969 2102.3072 1975.5247 119.0428 -205865.1109 17752.8426 0.0000 0.0000 34474.5930 -148711.6038 301.0752 -183186.1968 -148619.9296 300.3366 138.7417 169.3552 559137.7677 8.5453 8.5193 PRESSURE: 1287200 -3.54932 -26.9376 40.4555 -26.9371 91.2959 -76.9838 40.4557 -76.9837 277.564 GPRESSURE: 1287200 -3.85786 11.5622 74.3401 -87.3951 143.192 -90.7825 -6.2896 -47.8991 325.785 PRESSAVG: 1287200 -47.8125 4.75893 -26.1688 4.75896 9.03708 52.3609 -26.1687 52.3609 16.5707 GPRESSAVG: 1287200 -47.7691 4.95979 -25.5063 3.80301 10.5092 52.6019 -25.7202 51.8347 15.5297 TIMING: 1287200 CPU: 3738.53, 0.00291209/step Wall: 3738.53, 0.00291209/step, 3.00334 hours remaining, 207.328125 MB of memory in use. ENERGY: 1287200 713.3840 2097.6351 2002.0630 126.3422 -206192.6667 17924.2877 0.0000 0.0000 34444.0113 -148884.9434 300.8081 -183328.9548 -148795.5592 300.2270 121.7702 155.0398 556896.7681 -7.4016 -7.2434 PRESSURE: 1287400 35.5031 -28.8977 -86.9262 -28.8979 -28.0579 133.905 -86.925 133.904 176.415 GPRESSURE: 1287400 3.09497 -28.5492 -92.0068 51.444 84.8919 143.716 -99.2386 -3.30322 182.815 PRESSAVG: 1287400 -62.3223 23.9143 39.2157 23.9144 -0.580747 24.994 39.2157 24.994 66.6415 GPRESSAVG: 1287400 -61.8976 23.1747 40.9989 24.2552 -1.45555 23.8207 37.5226 25.5428 67.7063 TIMING: 1287400 CPU: 3739.11, 0.00290181/step Wall: 3739.11, 0.00290181/step, 2.99258 hours remaining, 207.328125 MB of memory in use. ENERGY: 1287400 740.3085 2093.6449 1961.4518 129.4084 -205962.0902 17855.2839 0.0000 0.0000 34314.8627 -148867.1300 299.6802 -183181.9927 -148777.7535 300.1386 61.2868 90.2674 557982.1963 1.2462 1.4510 PRESSURE: 1287600 25.9975 -17.2141 167.305 -17.214 -111.631 88.7613 167.306 88.7621 -224.995 GPRESSURE: 1287600 68.9316 -30.7804 207.812 -6.8764 -134.233 88.8774 159.648 190.161 -150.758 PRESSAVG: 1287600 2.00608 -20.0922 47.4338 -20.0922 4.81836 5.15204 47.4339 5.15216 63.8186 GPRESSAVG: 1287600 2.76374 -18.1765 46.7436 -18.406 4.5045 5.08977 49.2394 6.8052 63.3156 TIMING: 1287600 CPU: 3739.7, 0.00291368/step Wall: 3739.7, 0.00291368/step, 3.00465 hours remaining, 207.328125 MB of memory in use. ENERGY: 1287600 780.2219 2082.9244 1941.2636 103.2811 -205884.9645 17689.0933 0.0000 0.0000 34364.5815 -148923.5987 300.1144 -183288.1801 -148833.2492 301.1100 -103.5430 -72.0196 558979.0559 23.5477 23.5279 PRESSURE: 1287800 2.01082 44.1662 10.9183 44.1664 -280.623 48.7409 10.9181 48.7417 -247.235 GPRESSURE: 1287800 60.3478 2.86894 131.083 86.4029 -305.303 20.6812 80.2382 23.8464 -189.635 PRESSAVG: 1287800 21.5495 -10.8474 9.08632 -10.8474 55.3594 -6.51948 9.08633 -6.51946 -46.4325 GPRESSAVG: 1287800 20.5663 -12.7904 9.88956 -10.8855 56.6184 -7.22959 6.76779 -7.71611 -46.6229 TIMING: 1287800 CPU: 3740.28, 0.00289954/step Wall: 3740.28, 0.00289954/step, 2.98991 hours remaining, 207.328125 MB of memory in use. ENERGY: 1287800 705.3972 2143.6161 1992.5865 110.4998 -205361.4610 17393.2603 0.0000 0.0000 34222.8036 -148793.2975 298.8763 -183016.1011 -148692.4358 300.1136 -175.2825 -144.8634 559354.4768 10.1588 10.1873 PRESSURE: 1288000 206.949 85.1811 -32.872 85.18 171.202 -169.573 -32.8721 -169.574 -331.087 GPRESSURE: 1288000 191.169 49.4968 -63.7101 56.7006 189.004 -167.623 5.69772 -123.456 -229.788 PRESSAVG: 1288000 18.8805 31.2107 -7.1837 31.2106 21.5627 -64.6171 -7.1837 -64.6171 -29.0082 GPRESSAVG: 1288000 18.6686 30.5235 -7.416 29.6774 21.3022 -62.699 -7.10686 -65.1009 -28.9389 TIMING: 1288000 CPU: 3740.85, 0.00288714/step Wall: 3740.85, 0.00288714/step, 2.97696 hours remaining, 207.328125 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: 1288000 718.4971 2137.4190 1952.2311 105.7414 -206196.5407 17913.4321 0.0000 0.0000 34613.6116 -148755.6084 302.2893 -183369.2200 -148650.6946 300.8859 15.6880 50.1282 559175.6477 3.8117 3.6773 PRESSURE: 1288200 -138.344 -9.16271 -146.385 -9.16296 -47.0576 76.3207 -146.386 76.3211 -359.136 GPRESSURE: 1288200 -107.844 56.8486 -105.649 54.1347 -3.03434 76.4642 -80.1135 23.9728 -345.401 PRESSAVG: 1288200 45.5921 24.3817 3.34414 24.3816 10.7716 21.5218 3.34421 21.5218 -40.4942 GPRESSAVG: 1288200 46.5354 23.9219 2.0985 25.2193 10.6646 20.525 5.52118 21.3551 -41.68 TIMING: 1288200 CPU: 3741.43, 0.00289199/step Wall: 3741.43, 0.00289199/step, 2.9818 hours remaining, 207.328125 MB of memory in use. ENERGY: 1288200 792.7181 2218.2514 1950.3972 119.8177 -206073.6488 17715.8054 0.0000 0.0000 34633.8892 -148642.7699 302.4664 -183276.6590 -148549.5407 300.4752 -181.5127 -152.0932 559015.1270 5.2899 5.1734 LDB: ============= START OF LOAD BALANCING ============== 3744.9 LDB: ============== END OF LOAD BALANCING =============== 3744.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3744.9 LDB: ============= START OF LOAD BALANCING ============== 3745.19 LDB: Largest compute 4820 load 0.028892 is 24.5% of average load 0.117723 LDB: Average compute 0.001730 is 1.5% of average load 0.117723 LDB: TIME 3745.19 LOAD: AVG 0.117723 MAX 0.177645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.539 MB LDB: TIME 3745.19 LOAD: AVG 0.117723 MAX 0.177645 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.543 MB LDB: TIME 3745.19 LOAD: AVG 0.117723 MAX 0.177645 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.543 MB LDB: ============== END OF LOAD BALANCING =============== 3745.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3745.2 PRESSURE: 1288400 203.737 -108.072 -40.0598 -108.072 1.98675 78.358 -40.0612 78.3587 -312.897 GPRESSURE: 1288400 309.461 -80.2796 -32.325 -105.315 -10.718 137.155 -116.705 99.6724 -295.202 PRESSAVG: 1288400 -26.6076 12.878 -32.5531 12.878 25.7182 51.1775 -32.5531 51.1774 -13.9729 GPRESSAVG: 1288400 -26.6438 14.4855 -32.6354 13.8429 24.6378 52.1239 -32.9397 51.9104 -12.7466 TIMING: 1288400 CPU: 3742.02, 0.00295067/step Wall: 3742.02, 0.00295067/step, 3.04214 hours remaining, 204.027344 MB of memory in use. ENERGY: 1288400 768.5362 2153.4603 1938.4984 109.6633 -206030.7243 17757.0788 0.0000 0.0000 34413.7684 -148889.7188 300.5440 -183303.4872 -148789.3455 301.0558 -35.7245 1.1803 558538.2731 -4.9541 -4.9175 PRESSURE: 1288600 23.4894 -72.5489 19.4476 -72.5505 103.055 -145.482 19.4475 -145.483 -70.1223 GPRESSURE: 1288600 32.3661 -55.39 30.9762 -109.53 142.934 -211.54 12.261 -122.887 -25.823 PRESSAVG: 1288600 -22.8794 -13.1051 33.4895 -13.1052 -2.40282 97.453 33.4894 97.4529 -29.7977 GPRESSAVG: 1288600 -22.3451 -12.268 34.9519 -13.5076 -1.18 96.8144 33.5611 97.7747 -32.1457 TIMING: 1288600 CPU: 3742.6, 0.00288519/step Wall: 3742.6, 0.00288519/step, 2.97447 hours remaining, 204.230469 MB of memory in use. ENERGY: 1288600 733.2909 2125.0673 1974.5404 107.9934 -206146.0632 18032.0689 0.0000 0.0000 34285.1345 -148887.9677 299.4206 -183173.1023 -148786.5522 300.4123 18.8075 49.8258 560530.5136 -18.3600 -18.5569 PRESSURE: 1288800 43.8348 -148.434 51.6823 -148.434 -114.559 70.4892 51.6823 70.4895 20.9312 GPRESSURE: 1288800 97.4194 -193.587 9.37735 -148.369 -77.1186 91.9514 58.4005 91.473 15.1484 PRESSAVG: 1288800 -19.2052 20.0467 1.02539 20.0468 6.16465 5.68829 1.02537 5.68841 33.3388 GPRESSAVG: 1288800 -19.5993 19.5301 1.12646 19.1389 4.99464 5.77728 1.71449 6.84437 34.5587 TIMING: 1288800 CPU: 3743.18, 0.00289354/step Wall: 3743.18, 0.00289354/step, 2.98291 hours remaining, 204.230469 MB of memory in use. ENERGY: 1288800 743.7747 2111.9169 1999.3980 115.9761 -205941.8369 17851.9698 0.0000 0.0000 34226.3263 -148892.4752 298.9070 -183118.8015 -148795.1762 300.3930 -16.5976 11.8164 559260.6068 6.7661 6.6513 PRESSURE: 1289000 -231.297 -46.7074 -45.8821 -46.7072 -64.8282 46.6084 -45.8829 46.6075 -37.2456 GPRESSURE: 1289000 -188.42 -65.4131 -30.5324 20.2228 -19.3011 35.7073 -67.8804 39.0249 -24.5664 PRESSAVG: 1289000 -29.2595 13.0927 -7.60874 13.0928 34.3521 72.0151 -7.60878 72.0152 -7.64134 GPRESSAVG: 1289000 -29.5054 13.8424 -7.1855 12.9911 34.192 73.5995 -8.88563 69.8623 -8.11404 TIMING: 1289000 CPU: 3743.76, 0.00288651/step Wall: 3743.76, 0.00288651/step, 2.97551 hours remaining, 204.230469 MB of memory in use. ENERGY: 1289000 714.4860 2111.5342 1948.1008 109.9935 -205555.8705 17401.2936 0.0000 0.0000 34319.9010 -148950.5613 299.7242 -183270.4624 -148849.8578 299.6414 -111.1236 -77.4293 559963.3758 -0.8496 -1.1425 PRESSURE: 1289200 153.036 20.4139 -87.8128 20.4146 204.133 -41.1877 -87.8131 -41.1888 -108.949 GPRESSURE: 1289200 137.622 -30.0356 -28.6507 36.3615 231.955 43.1873 -61.2037 43.0855 -29.2506 PRESSAVG: 1289200 28.3034 3.34659 -1.88691 3.34669 22.0015 29.3206 -1.88688 29.3206 -44.5576 GPRESSAVG: 1289200 26.1004 1.8718 -0.95504 4.47188 22.6905 26.7986 -2.47425 31.6789 -43.8571 TIMING: 1289200 CPU: 3744.34, 0.00290339/step Wall: 3744.34, 0.00290339/step, 2.99275 hours remaining, 204.230469 MB of memory in use. ENERGY: 1289200 741.7602 2154.2769 1952.4815 108.5583 -206072.4373 18155.1304 0.0000 0.0000 34023.3988 -148936.8311 297.1348 -182960.2299 -148842.1708 299.2832 82.7401 113.4422 558870.3212 1.9158 1.6446 PRESSURE: 1289400 -112.671 -72.8499 -11.7568 -72.8505 136.995 -15.3751 -11.7565 -15.3742 15.129 GPRESSURE: 1289400 -66.1813 -8.711 14.2664 -99.9339 131.096 -0.216275 -53.7858 28.9699 70.7002 PRESSAVG: 1289400 22.5566 46.5142 0.306604 46.5141 -2.14482 22.538 0.306601 22.5379 -40.8178 GPRESSAVG: 1289400 23.3397 46.2325 0.669986 46.1644 -3.35746 22.7657 -0.667636 22.0276 -40.4728 TIMING: 1289400 CPU: 3744.92, 0.00292422/step Wall: 3744.92, 0.00292422/step, 3.01406 hours remaining, 204.230469 MB of memory in use. ENERGY: 1289400 779.9698 2055.2595 1947.1104 116.4246 -205828.7952 17805.2416 0.0000 0.0000 34118.3111 -149006.4782 297.9637 -183124.7893 -148912.9161 299.7609 13.1509 45.2049 557558.6605 -6.8020 -6.8302 PRESSURE: 1289600 377.899 9.74776 -19.795 9.74778 -86.935 -38.063 -19.7939 -38.0624 35.2511 GPRESSURE: 1289600 365.431 75.9831 21.4068 11.5983 -7.10456 47.4967 -11.1962 -42.6158 57.2621 PRESSAVG: 1289600 -46.5141 29.082 -33.4837 29.082 53.0082 36.1682 -33.4837 36.1682 -20.3336 GPRESSAVG: 1289600 -45.7732 29.2985 -36.1285 29.832 54.0001 36.3949 -31.4512 35.4149 -21.6897 TIMING: 1289600 CPU: 3745.5, 0.00290784/step Wall: 3745.5, 0.00290784/step, 2.99701 hours remaining, 204.230469 MB of memory in use. ENERGY: 1289600 782.2850 2141.9231 1952.3784 123.9799 -206030.8047 17875.9666 0.0000 0.0000 34276.8526 -148877.4190 299.3483 -183154.2716 -148790.6205 300.1362 108.7384 138.5294 556439.8283 -4.6132 -4.4876 PRESSURE: 1289800 29.0935 192.015 3.81927 192.015 -58.2882 -174.619 3.82168 -174.618 -178.03 GPRESSURE: 1289800 63.8603 144.558 -2.60974 91.5761 -48.8067 -108.139 16.2904 -183.849 -123.037 PRESSAVG: 1289800 43.7608 34.8296 67.1501 34.8295 78.209 38.9707 67.1501 38.9707 -91.7117 GPRESSAVG: 1289800 43.724 33.9727 66.0785 35.2611 77.2684 40.5862 67.0711 37.5725 -90.9953 TIMING: 1289800 CPU: 3746.08, 0.00286973/step Wall: 3746.08, 0.00286973/step, 2.95757 hours remaining, 204.230469 MB of memory in use. ENERGY: 1289800 737.3211 2090.6388 1934.8741 116.6109 -206009.3932 17835.7192 0.0000 0.0000 34370.9741 -148923.2550 300.1703 -183294.2291 -148825.4626 301.1747 -69.0750 -35.9944 558719.6837 10.0860 9.9990 PRESSURE: 1290000 211.658 -76.6689 62.3603 -76.6689 -42.6586 44.7556 62.3599 44.7555 -124.025 GPRESSURE: 1290000 277.395 -134.685 61.0907 -67.7163 -30.6664 77.7324 51.5659 34.6138 -91.0129 PRESSAVG: 1290000 -62.1275 -37.7886 -20.5247 -37.7886 91.0427 -10.7816 -20.5247 -10.7814 11.6216 GPRESSAVG: 1290000 -62.5363 -37.1772 -18.666 -37.5754 91.9406 -10.6856 -21.7631 -9.35034 11.5715 TIMING: 1290000 CPU: 3746.66, 0.00289478/step Wall: 3746.66, 0.00289478/step, 2.98324 hours remaining, 204.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1290000 760.6833 2105.1696 1912.8553 123.6836 -206005.8533 17775.2280 0.0000 0.0000 34352.0793 -148976.1542 300.0053 -183328.2336 -148883.5089 299.6828 14.9913 51.9051 556978.7880 13.5123 13.6586 PRESSURE: 1290200 -283.383 -54.8392 -53.5397 -54.8395 -132.344 -32.4225 -53.5403 -32.4229 42.4583 GPRESSURE: 1290200 -257.355 -86.9456 1.4352 -53.1392 -137.131 -9.78608 -85.6704 -72.6165 119.509 PRESSAVG: 1290200 25.855 -17.4755 26.9736 -17.4755 7.88649 -7.16716 26.9736 -7.16721 -30.5942 GPRESSAVG: 1290200 25.6887 -18.5543 28.1479 -18.8907 8.03288 -6.31968 28.211 -7.67651 -30.9088 TIMING: 1290200 CPU: 3747.23, 0.00288533/step Wall: 3747.23, 0.00288533/step, 2.97333 hours remaining, 204.230469 MB of memory in use. ENERGY: 1290200 752.6934 2115.0483 1967.5869 113.1163 -205731.8865 17509.0900 0.0000 0.0000 34237.4193 -149036.9323 299.0039 -183274.3516 -148940.3560 299.5875 -124.4228 -91.6590 556874.9875 1.0491 0.9376 PRESSURE: 1290400 -7.5245 11.8638 136.139 11.8635 17.8453 114.679 136.139 114.678 51.4432 GPRESSURE: 1290400 2.55973 -10.3212 112.244 49.7732 70.4901 98.5573 121.552 117.837 82.1502 PRESSAVG: 1290400 -74.4425 6.71484 40.3353 6.71485 -6.38927 12.2732 40.3352 12.2733 50.4755 GPRESSAVG: 1290400 -73.6795 7.93832 37.6307 6.95383 -6.39878 10.2901 39.2214 11.8006 49.9057 TIMING: 1290400 CPU: 3747.81, 0.00289525/step Wall: 3747.81, 0.00289525/step, 2.98339 hours remaining, 204.230469 MB of memory in use. ENERGY: 1290400 741.3970 2097.1937 1946.4948 105.8010 -206365.0331 17992.5783 0.0000 0.0000 34385.1177 -149096.4505 300.2938 -183481.5683 -148998.7850 299.7908 20.5880 51.7333 557442.4847 -10.1188 -10.0575 PRESSURE: 1290600 27.4224 -40.5384 54.1905 -40.5398 -173.333 146.183 54.1918 146.181 -356.347 GPRESSURE: 1290600 31.269 -49.8659 -47.3674 -35.8075 -177.321 144.232 92.0708 118.004 -262.665 PRESSAVG: 1290600 -21.4396 -4.10476 21.1031 -4.10465 22.6945 10.1201 21.1032 10.12 30.5997 GPRESSAVG: 1290600 -21.9518 -3.65016 20.6169 -2.81673 22.0752 10.1506 22.7345 9.3815 30.8223 TIMING: 1290600 CPU: 3748.38, 0.0028616/step Wall: 3748.38, 0.0028616/step, 2.94856 hours remaining, 204.230469 MB of memory in use. ENERGY: 1290600 727.7822 2142.5832 1979.9788 124.2197 -205783.3955 17490.4486 0.0000 0.0000 34210.5981 -149107.7849 298.7697 -183318.3830 -149021.5717 299.7135 -167.4191 -136.2389 557863.2054 10.6182 10.3152 PRESSURE: 1290800 60.5551 -114.174 -42.9214 -114.174 84.7319 -155.18 -42.922 -155.179 -228.55 GPRESSURE: 1290800 101.038 -34.9963 52.3901 -40.0747 100.879 -186.502 -57.2575 -54.9714 -184.763 PRESSAVG: 1290800 -94.7132 -14.1838 -13.6226 -14.1836 -0.184066 -22.5849 -13.6226 -22.5849 62.801 GPRESSAVG: 1290800 -94.6786 -14.1643 -12.1572 -13.4467 0.21055 -22.7346 -15.0958 -19.4453 62.7287 TIMING: 1290800 CPU: 3748.96, 0.00287497/step Wall: 3748.96, 0.00287497/step, 2.96217 hours remaining, 204.230469 MB of memory in use. ENERGY: 1290800 760.1072 2108.8761 1972.8162 110.3489 -206198.6592 18020.6475 0.0000 0.0000 34063.2649 -149162.5985 297.4830 -183225.8633 -149066.8129 299.2553 -27.7543 5.7181 557638.9502 -10.6988 -10.5798 PRESSURE: 1291000 -144.099 -34.6199 118.67 -34.6207 -40.8162 -96.3976 118.67 -96.3969 118.293 GPRESSURE: 1291000 -119.133 -34.4622 151.193 -40.0087 2.26574 -127.567 117.118 -108.352 145.119 PRESSAVG: 1291000 4.25555 -14.7352 1.52617 -14.7352 34.3173 -11.3414 1.52623 -11.3414 11.8308 GPRESSAVG: 1291000 4.26231 -15.4766 0.114901 -15.9822 35.1119 -11.6077 3.10152 -15.005 11.3432 TIMING: 1291000 CPU: 3749.54, 0.00289219/step Wall: 3749.54, 0.00289219/step, 2.97976 hours remaining, 204.230469 MB of memory in use. ENERGY: 1291000 758.0362 2107.2562 1978.8220 109.6424 -206233.7435 17801.5480 0.0000 0.0000 34360.6444 -149117.7942 300.0801 -183478.4387 -149024.1691 299.5236 -22.2072 9.4174 557363.2209 16.8012 16.9058 PRESSURE: 1291200 -117.577 141.752 61.1176 141.751 -60.051 38.9627 61.1172 38.9625 -203.107 GPRESSURE: 1291200 -61.6484 107.475 7.76722 126.044 -51.0287 28.2704 53.336 67.7047 -176.419 PRESSAVG: 1291200 -40.1767 29.5197 41.0701 29.5197 64.862 -11.5036 41.07 -11.5037 -38.2633 GPRESSAVG: 1291200 -40.8158 29.4426 41.4807 29.9586 65.095 -12.0997 40.5942 -8.86466 -38.2179 TIMING: 1291200 CPU: 3750.12, 0.00289013/step Wall: 3750.12, 0.00289013/step, 2.97748 hours remaining, 204.230469 MB of memory in use. ENERGY: 1291200 731.2139 2046.0093 1984.1550 116.0280 -206153.8543 17646.2393 0.0000 0.0000 34243.5498 -149386.6591 299.0574 -183630.2089 -149286.7277 298.9062 -126.9117 -96.3652 556269.2794 -4.5260 -4.6462 PRESSURE: 1291400 78.5657 58.1213 0.878563 58.1203 -309.508 -45.3706 0.880215 -45.3701 157.653 GPRESSURE: 1291400 94.4555 86.0678 77.5056 63.5372 -271.272 -51.9608 19.1438 -11.428 194.643 PRESSAVG: 1291400 -13.1051 21.2347 41.111 21.2347 41.1184 32.7734 41.111 32.7734 -31.5686 GPRESSAVG: 1291400 -13.4997 22.5214 41.9215 20.6293 40.5525 32.2911 40.5658 33.6924 -31.0695 TIMING: 1291400 CPU: 3750.69, 0.0028885/step Wall: 3750.69, 0.0028885/step, 2.97564 hours remaining, 204.230469 MB of memory in use. ENERGY: 1291400 721.5914 2062.2563 1963.3071 104.6752 -205943.6016 17611.6829 0.0000 0.0000 34157.3990 -149322.6897 298.3051 -183480.0886 -149227.7510 298.8241 -24.4297 5.9423 556562.0238 -1.1851 -1.3389 PRESSURE: 1291600 -24.5006 -102.611 -19.1069 -102.612 359.745 -65.5845 -19.1063 -65.5851 311.733 GPRESSURE: 1291600 47.1758 -45.8286 -37.7923 -68.8312 383.806 -56.3854 -60.6526 -38.5168 319.047 PRESSAVG: 1291600 -54.0325 36.5018 30.3848 36.5018 62.929 -23.4525 30.3848 -23.4525 -13.2503 GPRESSAVG: 1291600 -53.0125 35.5721 29.3873 37.251 61.7282 -23.1477 30.5625 -25.5605 -13.2492 TIMING: 1291600 CPU: 3751.27, 0.00290036/step Wall: 3751.27, 0.00290036/step, 2.9877 hours remaining, 204.230469 MB of memory in use. ENERGY: 1291600 710.9883 2072.8269 1963.9649 128.3415 -206554.2600 18084.3402 0.0000 0.0000 34346.7333 -149247.0649 299.9586 -183593.7982 -149159.2222 299.3486 215.6593 250.0096 555119.4798 -1.4512 -1.5112 PRESSURE: 1291800 255.218 107.499 135.649 107.498 -7.72677 -8.64112 135.648 -8.64137 -371.122 GPRESSURE: 1291800 224.998 78.5986 41.3638 65.3272 -4.21441 31.8765 48.1299 10.7219 -243.071 PRESSAVG: 1291800 0.24369 47.4237 81.1179 47.4237 27.7625 2.86447 81.1179 2.86446 -41.7437 GPRESSAVG: 1291800 -0.000264205 45.0192 82.5683 48.2879 28.8188 5.66138 78.7163 2.33658 -42.1645 TIMING: 1291800 CPU: 3751.86, 0.00292095/step Wall: 3751.86, 0.00292096/step, 3.00875 hours remaining, 204.230469 MB of memory in use. ENERGY: 1291800 713.1832 2083.6980 1982.0410 111.2139 -206024.7553 17668.9664 0.0000 0.0000 34229.7524 -149235.9003 298.9369 -183465.6527 -149136.7303 299.3405 -41.2105 -7.4292 556008.3918 -4.5792 -4.4487 PRESSURE: 1292000 122.467 99.4824 -35.7254 99.4818 -77.8126 -7.97287 -35.7255 -7.97184 -64.5859 GPRESSURE: 1292000 156.807 53.5983 -37.8569 56.5997 -60.5818 -116.958 -81.2553 6.75453 -8.55655 PRESSAVG: 1292000 28.4893 56.3962 56.1239 56.3961 -31.3206 83.9126 56.124 83.9126 -31.8648 GPRESSAVG: 1292000 27.5243 57.7272 57.0603 57.141 -31.5524 81.1439 58.1539 84.9406 -30.8598 TIMING: 1292000 CPU: 3752.44, 0.00290408/step Wall: 3752.44, 0.00290408/step, 2.99121 hours remaining, 204.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1292000 773.3291 2051.8228 1954.3737 98.5745 -205903.2883 17753.0368 0.0000 0.0000 34192.5002 -149079.6511 298.6116 -183272.1513 -148992.0383 299.5313 -6.6439 29.2230 557109.5323 -11.5654 -11.6293 PRESSURE: 1292200 -180.887 33.7617 6.16612 33.7624 -115.33 -48.2618 6.16691 -48.2618 100.268 GPRESSURE: 1292200 -91.9968 30.7344 -65.3247 -6.05406 -38.9089 -33.4188 120.141 -163.775 33.4303 PRESSAVG: 1292200 -0.527375 9.84852 11.5572 9.84847 -8.29511 42.2388 11.5573 42.2387 30.157 GPRESSAVG: 1292200 0.68028 9.27465 11.0109 8.27072 -7.99847 43.2094 12.7834 40.7409 28.7086 TIMING: 1292200 CPU: 3753.02, 0.00289653/step Wall: 3753.02, 0.00289653/step, 2.98327 hours remaining, 204.230469 MB of memory in use. ENERGY: 1292200 747.7117 2070.5314 1958.2144 118.6886 -205712.3231 17674.1661 0.0000 0.0000 34013.9138 -149129.0972 297.0520 -183143.0110 -149030.3150 299.4955 -65.3164 -32.4918 557619.6230 7.1115 7.1301 LDB: ============= START OF LOAD BALANCING ============== 3756.48 LDB: ============== END OF LOAD BALANCING =============== 3756.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3756.48 LDB: ============= START OF LOAD BALANCING ============== 3756.78 LDB: Largest compute 4820 load 0.029453 is 25.0% of average load 0.117656 LDB: Average compute 0.001732 is 1.5% of average load 0.117656 LDB: TIME 3756.78 LOAD: AVG 0.117656 MAX 0.178152 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.039 MB LDB: TIME 3756.78 LOAD: AVG 0.117656 MAX 0.178152 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: TIME 3756.78 LOAD: AVG 0.117656 MAX 0.178152 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3756.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3756.79 PRESSURE: 1292400 -124.154 121.318 13.8702 121.319 -289.841 -66.0151 13.8706 -66.0147 -283.581 GPRESSURE: 1292400 -156.21 103.084 -50.3295 118.028 -188.429 5.38995 -51.0792 -81.123 -251.283 PRESSAVG: 1292400 6.15485 -2.06045 -7.84198 -2.06045 -12.1623 30.9701 -7.84188 30.9702 0.840612 GPRESSAVG: 1292400 3.82366 -1.39296 -7.82237 -0.984204 -10.9222 30.9572 -8.76116 33.1238 1.88137 TIMING: 1292400 CPU: 3753.61, 0.00296515/step Wall: 3753.61, 0.00296515/step, 3.05377 hours remaining, 205.835938 MB of memory in use. ENERGY: 1292400 740.5205 2095.0074 1967.7782 100.2523 -205676.3933 17379.0944 0.0000 0.0000 34354.6165 -149039.1240 300.0274 -183393.7406 -148941.3797 298.7485 -232.5251 -198.6407 557736.4352 -1.7223 -1.7391 PRESSURE: 1292600 -219.222 -16.8092 141.605 -16.8098 -154.983 124.196 141.605 124.195 -152.744 GPRESSURE: 1292600 -164.649 -63.3108 198.151 -150.758 -105.126 167.762 86.8655 127.711 -164.275 PRESSAVG: 1292600 -17.1926 16.4775 80.1094 16.4775 44.2329 -0.253361 80.1094 -0.253395 -15.6641 GPRESSAVG: 1292600 -16.4409 15.9164 81.1866 14.3693 43.1677 0.273304 79.1319 -1.43639 -15.7162 TIMING: 1292600 CPU: 3754.19, 0.0028925/step Wall: 3754.19, 0.0028925/step, 2.9788 hours remaining, 206.281250 MB of memory in use. ENERGY: 1292600 771.3246 2116.1005 1956.0122 115.5923 -206000.1822 17802.3559 0.0000 0.0000 34214.4436 -149024.3531 298.8032 -183238.7967 -148931.0510 299.4666 -175.6495 -144.6832 558413.1840 3.7921 3.6702 PRESSURE: 1292800 -149.285 116.962 30.0839 116.961 -95.2181 37.2175 30.0828 37.2189 -57.7321 GPRESSURE: 1292800 -124.986 182.882 49.36 69.2957 -81.3376 41.6965 18.1155 -37.3791 -5.60238 PRESSAVG: 1292800 54.6761 18.1167 6.26574 18.1167 -62.0041 40.1699 6.26577 40.17 -19.1053 GPRESSAVG: 1292800 54.3334 19.6951 5.96438 19.9178 -61.7424 38.5649 7.67477 40.0156 -19.3257 TIMING: 1292800 CPU: 3754.77, 0.00289213/step Wall: 3754.77, 0.00289213/step, 2.97825 hours remaining, 206.281250 MB of memory in use. ENERGY: 1292800 788.2497 2053.4334 1963.3557 123.3630 -206037.4885 17796.4227 0.0000 0.0000 34379.3959 -148933.2680 300.2438 -183312.6639 -148840.7602 300.3828 -100.7451 -70.6421 559474.4623 -8.8111 -8.9116 PRESSURE: 1293000 -47.7073 -21.4191 -76.2116 -21.4196 37.7007 -105.672 -76.2111 -105.673 18.6387 GPRESSURE: 1293000 -10.7383 8.78422 -110.29 -39.4464 109.883 -71.7663 -20.8578 -153.882 0.234861 PRESSAVG: 1293000 63.0798 15.3213 -17.7694 15.3213 -5.86097 61.2272 -17.7694 61.2273 -44.4406 GPRESSAVG: 1293000 62.8044 12.9949 -20.205 16.6226 -6.32477 61.8885 -18.4289 62.9318 -44.1404 TIMING: 1293000 CPU: 3755.35, 0.00290362/step Wall: 3755.35, 0.00290362/step, 2.98992 hours remaining, 206.281250 MB of memory in use. ENERGY: 1293000 754.5380 2140.9294 1975.3862 99.8327 -206113.8120 17847.0789 0.0000 0.0000 34223.5779 -149072.4689 298.8830 -183296.0469 -148978.9718 299.6375 2.8774 33.1264 557307.8293 4.2594 4.1131 PRESSURE: 1293200 -220.337 43.9478 -120.458 43.9468 -111.926 131.603 -120.459 131.603 -358.87 GPRESSURE: 1293200 -252.793 34.0024 -82.2273 12.5838 -53.5111 118.79 -148.973 161.176 -298.211 PRESSAVG: 1293200 26.9965 -22.2615 -38.1686 -22.2614 11.4241 52.0071 -38.1687 52.007 -65.6968 GPRESSAVG: 1293200 27.0764 -20.4191 -36.2366 -24.6436 11.2349 51.3821 -37.5624 52.6418 -65.488 TIMING: 1293200 CPU: 3755.93, 0.00289736/step Wall: 3755.93, 0.00289736/step, 2.98331 hours remaining, 206.281250 MB of memory in use. ENERGY: 1293200 755.3819 2109.0274 1969.9306 123.0104 -205631.6207 17368.3354 0.0000 0.0000 34213.7362 -149092.1988 298.7971 -183305.9350 -148993.3960 299.9199 -230.3779 -201.5050 558393.6973 -9.0920 -9.0589 PRESSURE: 1293400 259.016 -247.352 135.554 -247.352 48.2009 -4.68672 135.555 -4.68646 285.208 GPRESSURE: 1293400 361.676 -95.9761 143.861 -283.437 30.0129 44.0919 130.756 74.7995 286.287 PRESSAVG: 1293400 -12.86 -42.3767 -53.681 -42.3766 26.3974 0.0282621 -53.681 0.0282156 -47.5206 GPRESSAVG: 1293400 -11.6135 -41.6631 -53.5285 -42.2055 26.0208 2.43369 -54.7076 -0.218175 -48.1934 TIMING: 1293400 CPU: 3756.51, 0.00290388/step Wall: 3756.51, 0.00290388/step, 2.98986 hours remaining, 206.281250 MB of memory in use. ENERGY: 1293400 773.3006 2085.5118 1970.7340 117.6866 -206651.9136 18090.9611 0.0000 0.0000 34394.8961 -149218.8232 300.3792 -183613.7193 -149123.8488 298.9628 197.4748 225.9920 555044.0070 -11.3277 -11.2620 PRESSURE: 1293600 90.5941 7.67864 -41.9566 7.67881 60.2573 1.01875 -41.957 1.01857 184.399 GPRESSURE: 1293600 70.7727 32.6598 -157.291 -21.9427 174.042 -45.3246 30.5344 -21.2166 203.199 PRESSAVG: 1293600 -19.1709 -5.00787 38.5384 -5.00778 -7.24212 36.9197 38.5385 36.9197 -23.5755 GPRESSAVG: 1293600 -20.6074 -5.62879 37.5235 -4.41056 -5.4966 36.5257 40.2385 34.7478 -23.6241 TIMING: 1293600 CPU: 3757.09, 0.00290093/step Wall: 3757.09, 0.00290093/step, 2.98667 hours remaining, 206.281250 MB of memory in use. ENERGY: 1293600 735.2343 2105.0947 1933.8856 106.3582 -206464.7764 18075.0057 0.0000 0.0000 34323.4800 -149185.7178 299.7555 -183509.1978 -149083.9814 299.0518 111.7501 149.3379 555841.4989 -16.6628 -16.5760 PRESSURE: 1293800 -281.528 -7.4701 63.5296 -7.47027 -41.8644 13.8575 63.5303 13.8597 -289.912 GPRESSURE: 1293800 -272.483 -10.1952 -19.1031 71.6148 -19.2148 77.1685 104.726 -4.8277 -230.655 PRESSAVG: 1293800 56.9576 2.77487 -7.20065 2.77481 36.5404 -20.5482 -7.20064 -20.5482 -78.7316 GPRESSAVG: 1293800 57.9961 0.793958 -8.01476 3.09165 35.6018 -20.511 -7.44738 -19.675 -78.6641 TIMING: 1293800 CPU: 3757.66, 0.00287704/step Wall: 3757.66, 0.00287704/step, 2.96191 hours remaining, 206.281250 MB of memory in use. ENERGY: 1293800 718.4815 2093.7651 1956.1730 115.9064 -205671.4829 17473.7571 0.0000 0.0000 34376.2538 -148937.1460 300.2164 -183313.3998 -148841.5977 300.0561 -204.4347 -174.1178 557028.2064 4.9221 4.9779 PRESSURE: 1294000 -186.632 17.5535 89.5013 17.5527 172.741 -84.7036 89.5019 -84.7041 -232.347 GPRESSURE: 1294000 -125.85 179.499 88.8589 5.65701 141.934 -61.8886 103.603 -94.2912 -179.536 PRESSAVG: 1294000 8.17528 17.9101 -6.88077 17.91 43.7076 -39.7882 -6.88078 -39.7883 -22.0194 GPRESSAVG: 1294000 7.94788 20.328 -5.5918 15.7478 43.4593 -40.1925 -6.114 -39.3287 -21.2724 TIMING: 1294000 CPU: 3758.24, 0.00287721/step Wall: 3758.24, 0.00287721/step, 2.96193 hours remaining, 206.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1294000 748.3199 2119.2580 1947.6722 126.1706 -205924.8065 17777.2107 0.0000 0.0000 34329.5801 -148876.5951 299.8088 -183206.1752 -148774.6389 300.5074 -82.0792 -54.4839 558083.5434 9.9545 10.0449 PRESSURE: 1294200 -43.233 0.118295 76.9397 0.11842 -74.3532 -20.3177 76.9389 -20.3174 48.235 GPRESSURE: 1294200 -3.43938 59.5915 15.3648 -38.4375 -62.0995 -36.8405 184.195 24.0339 80.6692 PRESSAVG: 1294200 -26.1371 50.3609 55.5946 50.3609 -19.1294 9.59827 55.5946 9.59834 23.7055 GPRESSAVG: 1294200 -25.9798 48.5945 54.269 51.1524 -19.3282 7.89735 54.1047 10.435 23.6167 TIMING: 1294200 CPU: 3758.81, 0.0028754/step Wall: 3758.81, 0.0028754/step, 2.95991 hours remaining, 206.281250 MB of memory in use. ENERGY: 1294200 764.5410 2051.7796 1981.4149 107.8408 -205931.1302 17695.5872 0.0000 0.0000 34472.2701 -148857.6965 301.0549 -183329.9666 -148750.1798 299.6684 -23.1171 5.0434 556889.6593 -7.1870 -7.2304 PRESSURE: 1294400 -193.119 28.7119 122.547 28.7124 -22.5612 2.05407 122.547 2.05328 -56.5917 GPRESSURE: 1294400 -132.013 77.5305 143.176 62.2219 -48.0292 -69.2609 139.412 103.716 13.2658 PRESSAVG: 1294400 40.7169 -38.2124 61.7619 -38.2125 -38.9048 18.1299 61.7619 18.1299 13.6113 GPRESSAVG: 1294400 40.0411 -38.1453 63.2402 -36.0186 -37.9736 20.4924 61.9745 17.9302 12.9459 TIMING: 1294400 CPU: 3759.39, 0.00288266/step Wall: 3759.39, 0.00288266/step, 2.96722 hours remaining, 206.281250 MB of memory in use. ENERGY: 1294400 769.0208 2072.4266 1967.2706 119.1890 -205810.7095 17713.0311 0.0000 0.0000 34432.1294 -148737.6421 300.7043 -183169.7715 -148644.6842 299.7755 -90.7571 -55.5922 557927.9806 5.1411 5.0045 PRESSURE: 1294600 -155.493 -144.625 74.0631 -144.624 -11.5663 -31.3848 74.0622 -31.3863 -336.275 GPRESSURE: 1294600 -97.0427 -182.423 131.482 -137.91 15.2087 -52.8722 32.5976 -70.0496 -319.613 PRESSAVG: 1294600 -71.1164 -78.5124 49.5196 -78.5123 73.2115 60.9247 49.5196 60.9247 -5.69585 GPRESSAVG: 1294600 -69.5904 -78.7407 48.1486 -76.0496 71.9694 59.6189 48.6692 59.2372 -5.52858 TIMING: 1294600 CPU: 3759.97, 0.00290866/step Wall: 3759.97, 0.00290866/step, 2.99382 hours remaining, 206.281250 MB of memory in use. ENERGY: 1294600 780.4787 2101.4382 1945.7133 131.5117 -205550.9015 17522.8671 0.0000 0.0000 34208.2612 -148860.6313 298.7493 -183068.8925 -148768.1358 300.1831 -167.7782 -133.8157 558780.1598 -1.2003 -1.0498 PRESSURE: 1294800 54.8431 -56.6742 -190.16 -56.675 -151.172 79.9686 -190.16 79.9674 -4.74912 GPRESSURE: 1294800 74.9516 -33.3765 -172.018 -52.8192 -103.268 44.4053 -210.806 74.6939 22.0309 PRESSAVG: 1294800 24.9951 -89.6346 -2.27255 -89.6346 -40.637 -10.0015 -2.27257 -10.0014 -30.97 GPRESSAVG: 1294800 25.5073 -89.9008 -0.806081 -91.846 -39.2119 -8.67432 -2.58974 -7.66784 -32.503 TIMING: 1294800 CPU: 3760.55, 0.00290691/step Wall: 3760.55, 0.00290691/step, 2.99186 hours remaining, 206.281250 MB of memory in use. ENERGY: 1294800 788.9399 2061.5749 1980.9242 102.8271 -205881.4488 17622.2631 0.0000 0.0000 34414.3403 -148910.5793 300.5490 -183324.9197 -148803.6435 299.7089 -33.6927 -2.0953 556806.8784 -15.5373 -15.4026 PRESSURE: 1295000 152.208 114.74 -78.474 114.74 112.571 134.791 -78.473 134.792 75.3318 GPRESSURE: 1295000 133.397 94.1906 -28.7891 164.416 186.739 121.88 -87.5417 231.752 120.137 PRESSAVG: 1295000 12.0068 -19.4149 5.88624 -19.415 2.89164 32.7605 5.88626 32.7605 11.3939 GPRESSAVG: 1295000 10.9382 -16.6561 5.47837 -18.703 2.93722 30.7352 8.26192 33.4684 11.4498 TIMING: 1295000 CPU: 3761.13, 0.00290444/step Wall: 3761.13, 0.00290444/step, 2.98915 hours remaining, 206.281250 MB of memory in use. ENERGY: 1295000 754.5910 2046.8776 1997.5623 119.0792 -206088.6576 17990.4435 0.0000 0.0000 34311.6661 -148868.4379 299.6523 -183180.1041 -148769.1787 299.9028 113.3704 146.7577 557510.1685 8.7641 8.4417 PRESSURE: 1295200 233.185 144.954 -32.3317 144.953 -142.529 -41.0291 -32.3326 -41.0303 -174.824 GPRESSURE: 1295200 224.18 133.807 -30.6148 89.3194 -130.906 -27.5665 -44.8122 -65.5481 -83.3836 PRESSAVG: 1295200 24.1063 38.7773 -19.5067 38.7774 -21.3736 -43.9168 -19.5066 -43.9168 24.4649 GPRESSAVG: 1295200 22.9253 37.4347 -17.3064 36.6792 -21.3962 -43.4095 -21.9573 -43.9679 26.1893 TIMING: 1295200 CPU: 3761.71, 0.00289819/step Wall: 3761.71, 0.00289819/step, 2.98255 hours remaining, 206.281250 MB of memory in use. ENERGY: 1295200 790.6459 2067.8663 1988.0257 113.6854 -205779.1193 17682.2714 0.0000 0.0000 34285.9362 -148850.6884 299.4276 -183136.6247 -148750.3353 299.8386 -28.0557 3.2968 557378.2966 9.0658 9.2395 PRESSURE: 1295400 -48.5058 -92.4275 -56.0654 -92.4268 -66.9722 -173.633 -56.0657 -173.633 -91.182 GPRESSURE: 1295400 -18.9978 -61.3569 -24.027 -147.458 14.6129 -128.694 -54.2854 -125.647 -96.7797 PRESSAVG: 1295400 36.2125 2.45607 -37.0023 2.45608 -29.3947 9.19934 -37.0023 9.19939 17.008 GPRESSAVG: 1295400 37.2912 4.23578 -40.3167 0.419345 -30.1974 8.00499 -33.8705 7.35058 16.5883 TIMING: 1295400 CPU: 3762.29, 0.00287219/step Wall: 3762.29, 0.00287219/step, 2.95565 hours remaining, 206.281250 MB of memory in use. ENERGY: 1295400 755.9157 2087.3917 1974.3370 119.4221 -205781.2205 17553.9585 0.0000 0.0000 34501.6677 -148788.5278 301.3116 -183290.1955 -148684.0932 300.4012 -68.8867 -33.7215 558006.2158 7.9419 7.8940 PRESSURE: 1295600 -128.474 58.6373 48.5793 58.6379 -272.267 127.566 48.5787 127.567 -155.296 GPRESSURE: 1295600 -119.345 59.1324 17.8194 75.4602 -221.446 82.5286 6.51844 50.2461 -124.512 PRESSAVG: 1295600 -20.0219 29.4938 40.4208 29.4939 -29.5328 -37.3326 40.4209 -37.3326 -10.0775 GPRESSAVG: 1295600 -20.2573 28.5254 39.9458 33.0148 -29.553 -36.9148 39.3028 -38.0149 -9.73028 TIMING: 1295600 CPU: 3762.87, 0.00290767/step Wall: 3762.87, 0.00290767/step, 2.99199 hours remaining, 206.281250 MB of memory in use. ENERGY: 1295600 781.3266 2078.5831 1970.9698 110.8438 -205510.5834 17473.7374 0.0000 0.0000 34193.1960 -148901.9267 298.6177 -183095.1227 -148801.8330 299.5992 -185.3457 -155.1008 558632.4024 -19.8774 -19.8469 PRESSURE: 1295800 49.2188 -225.804 -77.4569 -225.803 -249.633 48.4199 -77.4553 48.4203 -167.412 GPRESSURE: 1295800 134.884 -162.493 -17.7764 -253.745 -219.356 49.982 -137.775 103.179 -182.606 PRESSAVG: 1295800 21.37 1.24616 -40.0989 1.24624 -59.9215 21.3953 -40.0989 21.3953 59.7872 GPRESSAVG: 1295800 20.4994 -0.517208 -37.6288 0.424349 -59.9583 22.6764 -42.4496 21.1252 60.2435 TIMING: 1295800 CPU: 3763.45, 0.00290354/step Wall: 3763.45, 0.00290354/step, 2.98758 hours remaining, 206.281250 MB of memory in use. ENERGY: 1295800 756.0107 2090.0713 1936.7582 123.7056 -205670.4012 17642.3279 0.0000 0.0000 34123.9095 -148997.6181 298.0126 -183121.5275 -148910.4302 299.5493 -122.6087 -89.0259 559716.2659 7.0785 6.9282 PRESSURE: 1296000 -62.8861 -108.423 97.6507 -108.423 -61.164 14.7586 97.6513 14.7573 45.7835 GPRESSURE: 1296000 -75.7792 -126.463 102.717 -137.277 -21.5678 55.4695 174.231 -22.3979 133.168 PRESSAVG: 1296000 18.0366 7.30333 17.8094 7.30339 -14.8024 -54.8142 17.8093 -54.8143 4.5909 GPRESSAVG: 1296000 18.4249 7.49372 16.8888 6.31443 -15.8794 -56.2098 19.9849 -53.5165 4.70838 TIMING: 1296000 CPU: 3764.03, 0.0028943/step Wall: 3764.03, 0.0028943/step, 2.97792 hours remaining, 206.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1296000 716.6346 2143.8011 1956.0329 115.9875 -205967.2204 17612.8236 0.0000 0.0000 34261.9233 -149160.0174 299.2179 -183421.9406 -149064.4671 299.3582 -26.0889 11.9404 558004.6514 2.6084 2.4180 PRESSURE: 1296200 -58.9636 -29.0072 107.873 -29.0084 -285.247 80.3114 107.874 80.3097 42.2841 GPRESSURE: 1296200 39.7277 -70.682 206.222 62.9992 -316.105 70.3423 11.8719 132.686 69.7001 PRESSAVG: 1296200 14.0052 12.4844 -1.58243 12.4844 -41.3899 1.95772 -1.58254 1.95779 -11.2942 GPRESSAVG: 1296200 14.5112 13.0916 -0.887575 13.2553 -41.6338 3.08749 -1.64708 1.20803 -11.659 TIMING: 1296200 CPU: 3764.61, 0.00290271/step Wall: 3764.61, 0.00290271/step, 2.98641 hours remaining, 206.281250 MB of memory in use. ENERGY: 1296200 774.7435 2063.7642 1950.5079 106.9911 -206265.0512 17677.8996 0.0000 0.0000 34523.3447 -149167.8001 301.5010 -183691.1448 -149071.2054 298.6966 -100.6420 -68.8923 558474.5022 -12.8930 -12.9272 LDB: ============= START OF LOAD BALANCING ============== 3768.08 LDB: ============== END OF LOAD BALANCING =============== 3768.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3768.08 LDB: ============= START OF LOAD BALANCING ============== 3768.37 LDB: Largest compute 4820 load 0.028908 is 24.6% of average load 0.117689 LDB: Average compute 0.001732 is 1.5% of average load 0.117689 LDB: TIME 3768.37 LOAD: AVG 0.117689 MAX 0.178303 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 3768.37 LOAD: AVG 0.117689 MAX 0.178303 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 3768.37 LOAD: AVG 0.117689 MAX 0.178303 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 3768.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3768.38 PRESSURE: 1296400 89.9224 -240.314 -101.824 -240.315 151.503 -112.942 -101.826 -112.943 126.104 GPRESSURE: 1296400 91.5033 -190.219 -60.5217 -201.873 207.962 12.6665 -151.793 -150.498 157.782 PRESSAVG: 1296400 -38.2201 -17.9146 -0.653648 -17.9147 18.128 -27.0352 -0.653628 -27.0353 72.2626 GPRESSAVG: 1296400 -38.7675 -17.4174 -1.66233 -18.7088 19.0056 -29.2168 -1.18664 -24.3435 71.8612 TIMING: 1296400 CPU: 3765.2, 0.00295598/step Wall: 3765.2, 0.00295598/step, 3.04104 hours remaining, 205.441406 MB of memory in use. ENERGY: 1296400 782.1480 2098.4542 1957.8429 117.0275 -206731.7646 18103.6800 0.0000 0.0000 34304.8060 -149367.8059 299.5924 -183672.6120 -149274.9057 299.9238 122.5099 152.4158 555442.3291 17.3902 17.3665 PRESSURE: 1296600 31.5162 -148.146 18.4153 -148.145 -8.14496 3.76637 18.4165 3.76789 -127.123 GPRESSURE: 1296600 -1.55596 -160.938 86.3271 -122.676 7.87232 -14.5613 -17.9324 -56.8659 -14.7305 PRESSAVG: 1296600 -18.2377 -30.2222 -32.9731 -30.2223 60.5591 -38.0065 -32.9731 -38.0066 -0.157726 GPRESSAVG: 1296600 -18.2489 -27.7586 -33.979 -29.3275 60.87 -36.0819 -31.8482 -40.489 -0.721615 TIMING: 1296600 CPU: 3765.79, 0.00291888/step Wall: 3765.79, 0.00291888/step, 3.00271 hours remaining, 205.691406 MB of memory in use. ENERGY: 1296600 744.7849 2061.8212 1945.7371 107.5935 -206503.6984 17830.9544 0.0000 0.0000 34375.2033 -149437.6040 300.2072 -183812.8072 -149346.3636 299.1008 -34.5840 -2.8047 557041.6137 14.0546 13.9665 PRESSURE: 1296800 -135.997 33.6503 -12.4524 33.6509 17.8499 75.842 -12.453 75.8416 -169.198 GPRESSURE: 1296800 -93.6035 17.1515 -25.253 15.7951 46.6918 81.876 -12.9493 101.43 -134.376 PRESSAVG: 1296800 -31.9143 9.65063 -18.7405 9.65074 11.2837 62.3061 -18.7405 62.3061 -21.6452 GPRESSAVG: 1296800 -32.02 8.25366 -18.9122 8.64489 10.1614 62.9926 -19.9147 61.6023 -20.366 TIMING: 1296800 CPU: 3766.37, 0.0029156/step Wall: 3766.37, 0.0029156/step, 2.99918 hours remaining, 205.691406 MB of memory in use. ENERGY: 1296800 783.3207 2106.5728 1951.6750 120.9644 -205990.5288 17624.1784 0.0000 0.0000 34234.9542 -149168.8634 298.9824 -183403.8176 -149075.9711 299.3020 -95.7817 -60.4291 557043.3371 -14.0919 -14.0749 PRESSURE: 1297000 -104.654 42.2472 156.008 42.2466 -310.16 -39.879 156.008 -39.8786 -60.7421 GPRESSURE: 1297000 -6.25644 37.5512 147.302 3.15688 -331.155 -118.426 95.963 16.8434 -43.1679 PRESSAVG: 1297000 -53.1053 22.884 14.7055 22.884 29.2731 24.3782 14.7056 24.3781 18.5927 GPRESSAVG: 1297000 -53.4787 22.0171 15.8127 24.071 30.7092 24.2892 13.9064 24.9335 17.3523 TIMING: 1297000 CPU: 3766.95, 0.00291966/step Wall: 3766.95, 0.00291966/step, 3.00319 hours remaining, 205.691406 MB of memory in use. ENERGY: 1297000 741.4815 2125.4574 1930.6803 110.0176 -206144.9560 17550.0158 0.0000 0.0000 34410.7341 -149276.5693 300.5175 -183687.3034 -149183.1027 300.1987 -158.5185 -126.8599 557122.2161 -1.7465 -1.8057 PRESSURE: 1297200 -120.977 -34.0213 -21.0865 -34.0201 -340.465 62.5918 -21.0874 62.5934 -170.017 GPRESSURE: 1297200 -100.31 -17.4035 -20.341 -78.0412 -266.892 82.1252 -7.98318 48.3803 -160.047 PRESSAVG: 1297200 -21.8449 13.7402 4.96332 13.7402 -31.1003 18.9995 4.96334 18.9996 36.5625 GPRESSAVG: 1297200 -20.3193 13.3457 4.46131 12.0326 -31.8552 19.1456 6.82355 18.1264 36.076 TIMING: 1297200 CPU: 3767.53, 0.0028979/step Wall: 3767.53, 0.0028979/step, 2.98065 hours remaining, 205.691406 MB of memory in use. ENERGY: 1297200 738.6812 2126.0943 1961.4642 103.2023 -205761.7690 17435.1382 0.0000 0.0000 34022.2329 -149374.9560 297.1246 -183397.1889 -149276.6416 299.0632 -210.4862 -175.7497 558002.3440 -5.4609 -5.3662 PRESSURE: 1297400 -93.3254 -121.914 -7.68909 -121.915 -107.371 6.53637 -7.68885 6.5373 7.84729 GPRESSURE: 1297400 -41.0848 -106.873 5.87745 -92.4082 -69.5625 -5.39671 -24.3596 -22.7001 9.0729 PRESSAVG: 1297400 16.53 -55.1139 -4.45791 -55.1139 63.5105 69.4192 -4.45794 69.4192 -37.2947 GPRESSAVG: 1297400 16.1836 -55.0697 -5.08041 -53.29 63.9689 68.3123 -5.0645 70.9477 -37.4 TIMING: 1297400 CPU: 3768.11, 0.00290415/step Wall: 3768.11, 0.00290415/step, 2.98692 hours remaining, 205.730469 MB of memory in use. ENERGY: 1297400 731.0389 2083.5596 1958.2042 107.9821 -205967.8229 17547.4406 0.0000 0.0000 34103.4829 -149436.1147 297.8342 -183539.5976 -149344.0644 298.3603 -64.2829 -33.8581 557348.8180 14.2486 14.2508 PRESSURE: 1297600 -38.7042 73.0516 -157.875 73.0517 38.8909 78.5563 -157.877 78.5563 -1.10341 GPRESSURE: 1297600 34.1294 106.869 -76.4427 40.2235 -6.87184 74.5727 -187.054 133.723 60.6765 PRESSAVG: 1297600 -57.8333 -35.0321 -42.6528 -35.0321 58.0902 -41.0925 -42.6528 -41.0923 -9.05063 GPRESSAVG: 1297600 -57.5767 -34.635 -44.6141 -34.2555 57.3221 -41.9798 -43.7157 -41.0701 -8.21503 TIMING: 1297600 CPU: 3768.69, 0.00290887/step Wall: 3768.69, 0.00290887/step, 2.99161 hours remaining, 205.730469 MB of memory in use. ENERGY: 1297600 739.3307 2072.3411 1934.1319 106.4254 -206141.0408 17721.0305 0.0000 0.0000 34194.7357 -149373.0455 298.6311 -183567.7812 -149278.4313 298.5855 -0.3056 29.3114 557251.4359 -2.9312 -2.8232 PRESSURE: 1297800 81.8008 26.1618 51.1479 26.1623 21.3528 76.6461 51.1485 76.6469 -84.3988 GPRESSURE: 1297800 61.6923 -29.5797 120.81 22.6157 45.0028 36.8482 -33.0297 162.93 8.5797 PRESSAVG: 1297800 64.5348 -56.6656 -38.2191 -56.6654 -49.7776 19.1063 -38.2191 19.1064 40.7899 GPRESSAVG: 1297800 64.7128 -55.8427 -36.0654 -58.4436 -49.4522 21.3775 -37.2198 17.8201 40.1837 TIMING: 1297800 CPU: 3769.27, 0.0028974/step Wall: 3769.27, 0.0028974/step, 2.97965 hours remaining, 205.730469 MB of memory in use. ENERGY: 1297800 682.9210 2154.8486 1931.1333 117.9347 -206190.1623 17696.2015 0.0000 0.0000 34220.8873 -149386.2359 298.8595 -183607.1232 -149289.4510 299.0327 6.2516 38.4249 557951.5927 18.5157 18.4815 PRESSURE: 1298000 6.92962 -227.87 -17.9285 -227.87 -57.7389 21.3125 -17.9276 21.3111 -11.415 GPRESSURE: 1298000 -2.73409 -164.203 12.8779 -186.103 -19.9439 34.7453 36.2909 -51.5334 41.4606 PRESSAVG: 1298000 9.02271 -24.2083 21.1635 -24.2083 43.1726 37.0924 21.1635 37.0923 -18.0953 GPRESSAVG: 1298000 8.83254 -24.8854 22.1512 -23.8129 43.536 36.1084 18.8423 35.9148 -18.6833 TIMING: 1298000 CPU: 3769.85, 0.00287735/step Wall: 3769.85, 0.00287735/step, 2.95887 hours remaining, 205.796875 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: 1298000 754.1811 2123.5154 1957.2357 113.0447 -206238.0358 17823.1421 0.0000 0.0000 34219.7059 -149247.2109 298.8492 -183466.9168 -149140.2463 298.7686 -20.7414 6.2608 558667.2663 11.3667 11.2284 PRESSURE: 1298200 256.256 16.9821 -113.88 16.9828 -34.689 -131.481 -113.88 -131.481 -197.934 GPRESSURE: 1298200 234.792 18.8408 -114.379 49.3647 -9.31348 -59.5382 -74.4478 -308.85 -115.116 PRESSAVG: 1298200 49.0878 -53.1172 3.98513 -53.1172 -8.84577 -37.0449 3.98512 -37.0449 -38.8085 GPRESSAVG: 1298200 47.6875 -53.3979 1.81319 -53.2559 -8.78232 -37.4712 7.07158 -36.166 -37.6309 TIMING: 1298200 CPU: 3770.43, 0.00287724/step Wall: 3770.43, 0.00287724/step, 2.9586 hours remaining, 205.796875 MB of memory in use. ENERGY: 1298200 731.7399 2082.8679 1970.2537 112.6207 -206502.7290 17989.7356 0.0000 0.0000 34284.2893 -149331.2219 299.4132 -183615.5111 -149237.4257 298.8332 7.8775 36.7876 558036.7794 0.4778 0.4248 PRESSURE: 1298400 -286.162 -6.65098 87.554 -6.65014 -76.3759 69.0362 87.5544 69.0347 -98.1612 GPRESSURE: 1298400 -198.033 73.2965 64.8866 -92.6753 -68.8595 68.9766 105.496 44.5773 -93.7519 PRESSAVG: 1298400 6.30471 -33.9175 7.01775 -33.9176 36.1407 -3.04755 7.01768 -3.04756 19.8303 GPRESSAVG: 1298400 6.62277 -33.4591 8.08525 -33.7767 35.3745 -2.72521 5.15912 -2.96234 20.098 TIMING: 1298400 CPU: 3771, 0.0028973/step Wall: 3771, 0.0028973/step, 2.97907 hours remaining, 205.796875 MB of memory in use. ENERGY: 1298400 775.1050 2055.0658 1960.6671 116.1989 -206005.0942 17686.0140 0.0000 0.0000 33971.9273 -149440.1162 296.6853 -183412.0435 -149334.5777 298.4064 -153.5665 -120.2148 558439.6953 20.7586 20.6984 PRESSURE: 1298600 -259.311 -93.163 -52.4237 -93.1636 -76.7966 168.026 -52.4245 168.027 -334.214 GPRESSURE: 1298600 -305.375 -115.897 -74.8897 -94.2214 -4.4946 188.692 -81.886 182.288 -278.914 PRESSAVG: 1298600 50.817 23.0334 5.30362 23.0334 -51.5371 -14.5037 5.30354 -14.5038 -22.1617 GPRESSAVG: 1298600 50.635 24.1447 7.20391 24.3164 -51.169 -13.8848 6.35211 -15.1129 -22.4567 TIMING: 1298600 CPU: 3771.58, 0.00289986/step Wall: 3771.58, 0.00289986/step, 2.98154 hours remaining, 205.796875 MB of memory in use. ENERGY: 1298600 728.3243 2156.0977 1945.2656 108.4602 -205849.3596 17347.6939 0.0000 0.0000 34092.0675 -149471.4503 297.7345 -183563.5178 -149375.7455 298.1822 -223.4405 -196.2609 558682.6455 -7.6273 -7.6636 PRESSURE: 1298800 -99.1046 65.8549 -61.0489 65.8551 -16.8097 29.9198 -61.0485 29.9192 -68.5806 GPRESSURE: 1298800 -27.5354 27.2501 -69.4912 85.2368 -47.0386 83.2462 -12.2444 54.5297 -20.4704 PRESSAVG: 1298800 -48.835 33.8181 0.742594 33.8182 34.5753 -17.9787 0.74266 -17.9788 7.41051 GPRESSAVG: 1298800 -49.2684 30.9655 -0.532299 32.309 36.2004 -17.7338 -0.523045 -18.8755 6.32836 TIMING: 1298800 CPU: 3772.16, 0.00289177/step Wall: 3772.16, 0.00289177/step, 2.97306 hours remaining, 205.796875 MB of memory in use. ENERGY: 1298800 725.4689 2059.1647 1952.6722 109.8552 -206436.4751 17824.2486 0.0000 0.0000 34268.4435 -149496.6220 299.2748 -183765.0655 -149391.2236 298.3604 -61.4983 -31.6815 557007.6938 -2.2830 -2.2466 PRESSURE: 1299000 122.568 -24.4405 32.5627 -24.441 118.113 -43.1998 32.5639 -43.2015 -40.9823 GPRESSURE: 1299000 169.742 -15.5999 34.777 21.7519 102.458 41.4013 53.3896 -82.2826 33.8723 PRESSAVG: 1299000 -12.3126 -22.3472 16.0715 -22.3472 51.4653 -30.244 16.0716 -30.2441 -54.3065 GPRESSAVG: 1299000 -12.9771 -19.4424 13.6551 -20.4229 50.2674 -33.8499 17.9737 -28.3441 -52.7134 TIMING: 1299000 CPU: 3772.74, 0.00289396/step Wall: 3772.74, 0.00289396/step, 2.97516 hours remaining, 205.796875 MB of memory in use. ENERGY: 1299000 754.6937 2078.6487 1956.7248 118.8407 -206563.1149 17965.1767 0.0000 0.0000 34204.7108 -149484.3195 298.7182 -183689.0303 -149393.4969 298.4005 66.5661 102.0240 557117.5743 -5.0512 -5.1410 PRESSURE: 1299200 4.46417 245.679 140.379 245.677 161.642 122.27 140.378 122.269 -21.141 GPRESSURE: 1299200 -17.0349 206.005 93.2394 241.864 225.009 64.9921 144.892 172.717 41.909 PRESSAVG: 1299200 -44.1609 -2.51404 8.00686 -2.51407 77.0293 -20.7906 8.00685 -20.7905 -42.7756 GPRESSAVG: 1299200 -43.053 -1.73275 11.3181 -5.44856 77.7603 -18.4434 7.57717 -18.9927 -43.8651 TIMING: 1299200 CPU: 3773.32, 0.00290094/step Wall: 3773.32, 0.00290094/step, 2.98217 hours remaining, 205.796875 MB of memory in use. ENERGY: 1299200 768.9503 2089.9774 1946.1882 107.6770 -206216.7251 17859.5536 0.0000 0.0000 34118.7348 -149325.6437 297.9674 -183444.3786 -149231.8354 298.4729 48.3217 83.2945 556846.5790 -3.3024 -3.0526 PRESSURE: 1299400 149.474 -155.991 92.9622 -155.993 64.08 -66.3389 92.9624 -66.3395 140.39 GPRESSURE: 1299400 181.18 -52.0082 186.047 -180.451 117.428 -75.9877 108.066 9.14703 154.771 PRESSAVG: 1299400 -9.73887 10.384 24.7429 10.384 10.9027 13.1361 24.7429 13.1363 40.3263 GPRESSAVG: 1299400 -9.21476 9.21243 24.2282 10.8179 11.4779 14.3294 24.7961 11.566 39.4913 TIMING: 1299400 CPU: 3773.9, 0.00290078/step Wall: 3773.9, 0.00290078/step, 2.98184 hours remaining, 205.796875 MB of memory in use. ENERGY: 1299400 734.3407 2060.4434 1947.4116 115.1992 -206454.2477 18004.7714 0.0000 0.0000 34261.3357 -149330.7459 299.2128 -183592.0815 -149226.2770 299.1714 117.9813 151.1262 557085.2191 13.8300 13.9182 PRESSURE: 1299600 21.8592 -3.06962 33.2006 -3.07034 -108.555 2.88367 33.2007 2.88263 107.084 GPRESSURE: 1299600 50.1901 -58.5122 9.71057 46.5101 -41.7641 12.1426 23.106 31.9891 103.231 PRESSAVG: 1299600 5.65922 18.9836 -5.25974 18.9836 -36.4677 40.7616 -5.25967 40.7615 51.096 GPRESSAVG: 1299600 6.23258 19.9738 -5.34049 18.9024 -38.5858 38.4065 -5.88184 40.4157 52.4682 TIMING: 1299600 CPU: 3774.48, 0.00288324/step Wall: 3774.48, 0.00288324/step, 2.96365 hours remaining, 205.796875 MB of memory in use. ENERGY: 1299600 746.1876 2064.3269 1921.1046 121.6715 -206096.6011 17720.1750 0.0000 0.0000 34281.9827 -149241.1529 299.3931 -183523.1356 -149134.5188 299.5820 6.7959 37.2188 557501.7811 6.7625 6.7050 PRESSURE: 1299800 232.073 2.80314 185.95 2.80271 -76.8192 140.032 185.951 140.031 69.1348 GPRESSURE: 1299800 235.298 -44.1142 163.888 -11.9333 -64.6642 128.207 118.238 176.494 152.566 PRESSAVG: 1299800 36.2481 -76.5552 20.8427 -76.5551 -11.008 49.7651 20.8427 49.7652 13.5654 GPRESSAVG: 1299800 35.7997 -78.9782 21.8847 -73.0574 -10.3649 49.3106 19.5908 49.7593 12.9889 TIMING: 1299800 CPU: 3775.06, 0.00289521/step Wall: 3775.06, 0.00289521/step, 2.97579 hours remaining, 205.796875 MB of memory in use. ENERGY: 1299800 716.4497 2149.1559 1934.3587 104.7909 -206502.3104 18152.3192 0.0000 0.0000 34067.9084 -149377.3276 297.5235 -183445.2360 -149274.9421 298.7320 74.7961 107.7332 557621.7676 12.9352 12.8079 WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1300000 -150.434 -93.1066 9.53564 -93.1059 -249.524 -73.3722 9.53384 -73.3721 191.73 GPRESSURE: 1300000 -125.772 -46.657 16.2403 -138.596 -176.771 -97.9973 -22.4371 -4.25033 209.568 PRESSAVG: 1300000 8.03214 -29.3798 -26.6397 -29.3797 27.8523 25.4264 -26.6396 25.4264 3.50065 GPRESSAVG: 1300000 7.71038 -27.0977 -26.8656 -30.7059 27.4626 25.5519 -25.1821 28.8788 4.18215 TIMING: 1300000 CPU: 3775.65, 0.00297133/step Wall: 3775.65, 0.00297133/step, 3.05387 hours remaining, 205.796875 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: 1300000 798.4776 2107.3489 1940.5297 113.9807 -206256.1204 17805.3704 0.0000 0.0000 34354.0909 -149136.3223 300.0228 -183490.4132 -149037.8357 299.3966 -69.4092 -30.9919 557781.2368 13.1284 13.1184 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 PRESSURE: 1300200 -6.22216 18.8048 131.964 18.8023 -23.5767 91.975 131.964 91.9751 -260.666 GPRESSURE: 1300200 -42.4079 -11.7522 121.16 65.0607 23.5766 54.138 105.204 21.5093 -167.541 PRESSAVG: 1300200 -7.6698 40.6755 0.626391 40.6755 -19.9879 41.1569 0.626344 41.1569 34.5197 GPRESSAVG: 1300200 -7.81228 39.6783 -0.401498 40.5243 -19.5649 40.4673 0.218985 39.3798 34.6681 TIMING: 1300200 CPU: 3776.23, 0.0029035/step Wall: 3776.23, 0.0029035/step, 2.98399 hours remaining, 205.796875 MB of memory in use. ENERGY: 1300200 748.8548 2126.4952 1965.5699 123.2499 -205894.8835 17685.2774 0.0000 0.0000 34131.6547 -149113.7816 298.0802 -183245.4363 -149012.4520 299.7213 -96.8216 -62.1240 557385.0581 2.2873 2.4303 LDB: ============= START OF LOAD BALANCING ============== 3779.7 LDB: ============== END OF LOAD BALANCING =============== 3779.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3779.7 LDB: ============= START OF LOAD BALANCING ============== 3779.99 LDB: Largest compute 4820 load 0.029498 is 25.1% of average load 0.117660 LDB: Average compute 0.001730 is 1.5% of average load 0.117660 LDB: TIME 3780 LOAD: AVG 0.11766 MAX 0.180892 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.906 MB LDB: TIME 3780 LOAD: AVG 0.11766 MAX 0.180892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: TIME 3780 LOAD: AVG 0.11766 MAX 0.180892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.91 MB LDB: ============== END OF LOAD BALANCING =============== 3780 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 PRESSURE: 1300400 -84.5113 27.423 -19.7754 27.424 -172.312 282.698 -19.7771 282.698 266.55 GPRESSURE: 1300400 -129.992 43.1655 26.5366 -3.88205 -67.215 232.783 -91.5874 220.603 301.977 PRESSAVG: 1300400 -20.272 6.36743 -35.5469 6.36749 4.18178 23.3251 -35.547 23.325 32.8499 GPRESSAVG: 1300400 -20.2205 7.32182 -34.0295 6.98229 3.83967 21.8237 -36.3927 24.3929 32.2927 TIMING: 1300400 CPU: 3776.83, 0.00297407/step Wall: 3776.83, 0.00297407/step, 3.05635 hours remaining, 203.074219 MB of memory in use. ENERGY: 1300400 768.2712 2103.1888 1974.9857 128.7245 -206431.7165 17886.8668 0.0000 0.0000 34517.4697 -149052.2099 301.4496 -183569.6796 -148953.2635 299.9352 3.2421 34.9231 557600.1249 5.5866 5.3040 PRESSURE: 1300600 106.539 -34.8607 16.8271 -34.8602 -41.5526 115.923 16.8292 115.922 -32.9586 GPRESSURE: 1300600 140.494 55.0259 105.372 -59.2009 -15.1562 120.197 -59.0843 172.49 1.90845 PRESSAVG: 1300600 -24.9713 -15.8618 -30.7301 -15.8619 -2.73782 46.2814 -30.73 46.2814 44.1194 GPRESSAVG: 1300600 -24.728 -18.5549 -29.578 -14.6798 -2.34816 48.9116 -31.4996 44.3783 43.5558 TIMING: 1300600 CPU: 3777.41, 0.0028954/step Wall: 3777.41, 0.0028954/step, 2.97535 hours remaining, 203.449219 MB of memory in use. ENERGY: 1300600 727.4703 2115.7615 1948.9538 124.5668 -206237.0803 18036.2787 0.0000 0.0000 34274.3219 -149009.7273 299.3262 -183284.0491 -148912.8980 300.5128 10.6758 42.4154 559964.6566 5.4701 5.4932 PRESSURE: 1300800 -192.567 49.1645 -130.981 49.1635 141.584 164.928 -130.981 164.928 -64.9351 GPRESSURE: 1300800 -139.54 -11.4163 -90.9579 136.171 158.955 160.326 -13.8098 114.682 -49.6842 PRESSAVG: 1300800 -32.624 -36.8739 9.62781 -36.8739 -12.3692 72.688 9.62783 72.688 61.5124 GPRESSAVG: 1300800 -33.5947 -33.8311 7.71647 -36.7528 -10.8393 72.1944 10.0497 74.3213 61.7571 TIMING: 1300800 CPU: 3777.99, 0.00290984/step Wall: 3777.99, 0.00290984/step, 2.99002 hours remaining, 203.449219 MB of memory in use. ENERGY: 1300800 764.6245 2144.2336 1912.9099 112.1049 -205882.4296 17803.2621 0.0000 0.0000 34261.3843 -148883.9103 299.2132 -183145.2946 -148793.8939 299.8621 -38.6394 -10.0899 559511.0701 5.5064 5.7744 PRESSURE: 1301000 219.102 69.9611 -67.2252 69.9608 130.241 19.7301 -67.2244 19.7296 135.637 GPRESSURE: 1301000 239.065 125.261 -74.1638 59.6305 153.606 11.4082 -100.944 7.45425 192.969 PRESSAVG: 1301000 13.5063 -21.7703 -28.8499 -21.7702 64.3534 43.6788 -28.8499 43.6788 -18.0401 GPRESSAVG: 1301000 14.7142 -24.0956 -29.9489 -23.6107 63.9363 45.6166 -26.7506 42.3351 -18.5965 TIMING: 1301000 CPU: 3778.57, 0.00289815/step Wall: 3778.57, 0.00289815/step, 2.97785 hours remaining, 203.449219 MB of memory in use. ENERGY: 1301000 704.9930 2106.9606 1956.0910 119.6171 -206219.1721 18103.3274 0.0000 0.0000 34270.8433 -148957.3398 299.2958 -183228.1831 -148863.4728 300.4617 161.6601 195.2136 558120.2964 19.9399 20.0180 PRESSURE: 1301200 20.0754 1.80319 -231.466 1.80292 184.825 -85.1335 -231.466 -85.1334 217.416 GPRESSURE: 1301200 60.9911 -51.5403 -223.384 8.00674 236.34 -57.9797 -164.623 -57.3103 220.808 PRESSAVG: 1301200 5.56393 -62.8433 -13.5873 -62.8433 -55.9317 4.23601 -13.5873 4.23606 74.8435 GPRESSAVG: 1301200 5.10898 -61.1271 -12.8731 -64.0237 -56.272 1.9995 -13.9669 3.1513 75.8768 TIMING: 1301200 CPU: 3779.15, 0.00289451/step Wall: 3779.15, 0.00289451/step, 2.97395 hours remaining, 203.449219 MB of memory in use. ENERGY: 1301200 721.5832 2088.8734 1929.9846 120.6376 -206018.7226 18052.2192 0.0000 0.0000 34262.9957 -148842.4288 299.2273 -183105.4245 -148743.3222 300.2619 140.7720 172.7131 557650.1023 8.1586 8.2380 PRESSURE: 1301400 -26.1488 -46.2146 -25.6044 -46.2147 51.2833 177.821 -25.6028 177.822 -134.152 GPRESSURE: 1301400 15.064 17.1605 -142.518 -74.346 79.5692 180.604 -18.4879 137.489 -105.462 PRESSAVG: 1301400 3.419 -17.0895 -39.0949 -17.0894 65.0566 4.60831 -39.0948 4.60853 -48.815 GPRESSAVG: 1301400 3.22532 -16.5997 -40.8275 -18.5927 65.1216 6.74236 -39.7938 6.05128 -49.3121 TIMING: 1301400 CPU: 3779.72, 0.00288193/step Wall: 3779.72, 0.00288193/step, 2.96086 hours remaining, 203.652344 MB of memory in use. ENERGY: 1301400 768.8087 2075.3367 1944.0927 109.7290 -205907.0490 17952.4779 0.0000 0.0000 34385.5391 -148671.0648 300.2975 -183056.6040 -148574.9260 300.1023 -36.3391 -3.6096 558605.3257 6.5536 6.3449 PRESSURE: 1301600 -68.0181 63.2355 -89.6838 63.2365 -108.599 -178.913 -89.6848 -178.913 230.992 GPRESSURE: 1301600 -25.7386 42.07 -21.9122 83.0013 -44.6327 -161.232 -81.4404 -145.827 214.091 PRESSAVG: 1301600 44.1608 10.9994 -29.223 10.9995 -3.28779 -40.4792 -29.223 -40.4792 -3.63955 GPRESSAVG: 1301600 44.5018 10.3595 -27.16 12.8537 -3.70205 -40.6837 -28.876 -40.4821 -3.43167 TIMING: 1301600 CPU: 3780.31, 0.00293163/step Wall: 3780.31, 0.00293163/step, 3.01176 hours remaining, 203.652344 MB of memory in use. ENERGY: 1301600 715.7410 2062.6198 1946.8422 116.2830 -205565.2321 17576.9639 0.0000 0.0000 34230.0943 -148916.6878 298.9399 -183146.7822 -148819.7949 300.7709 18.1248 47.9065 556539.1236 12.4112 12.4560 PRESSURE: 1301800 54.1322 30.3848 -75.0451 30.3847 -103.794 -128.235 -75.0443 -128.234 -52.1101 GPRESSURE: 1301800 41.7714 -95.5618 -57.7479 32.6328 -38.1306 -115.664 -77.6355 -171.055 3.80509 PRESSAVG: 1301800 -4.6721 14.7664 39.1197 14.7664 -47.0381 -20.3816 39.1197 -20.3817 57.8009 GPRESSAVG: 1301800 -5.13997 14.9971 39.4715 14.6736 -46.1348 -20.9846 38.7347 -22.939 57.7173 TIMING: 1301800 CPU: 3780.89, 0.00291394/step Wall: 3780.89, 0.00291394/step, 2.99342 hours remaining, 203.652344 MB of memory in use. ENERGY: 1301800 728.9295 2112.1418 1941.9687 111.6279 -205994.6804 17864.7496 0.0000 0.0000 34445.7043 -148789.5586 300.8229 -183235.2629 -148694.8913 300.0327 -33.9240 2.4820 558400.4226 2.0302 2.1475 PRESSURE: 1302000 -134.806 -67.2797 -1.43466 -67.2787 2.63304 -18.0314 -1.43515 -18.0315 -15.6698 GPRESSURE: 1302000 -58.5158 92.577 -20.259 -3.32734 39.3882 69.9482 40.0726 -4.74118 -26.3703 PRESSAVG: 1302000 -29.9079 26.473 -31.1135 26.4729 49.9586 -19.2184 -31.1135 -19.2184 -8.67027 GPRESSAVG: 1302000 -29.3022 27.0021 -33.254 27.6324 49.2883 -18.986 -31.3169 -16.3085 -8.69275 TIMING: 1302000 CPU: 3781.47, 0.0029088/step Wall: 3781.47, 0.0029088/step, 2.98798 hours remaining, 203.652344 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: 1302000 770.2215 2157.8791 1972.5769 110.1286 -206051.6612 17812.3608 0.0000 0.0000 34393.2323 -148835.2620 300.3647 -183228.4944 -148737.2557 301.0815 -49.2808 -15.1660 557467.1225 3.7934 3.7644 PRESSURE: 1302200 -267.351 121.233 -8.17164 121.234 -118.386 -4.22262 -8.17084 -4.22341 -109.092 GPRESSURE: 1302200 -220.487 103.03 64.8653 144.636 -134.901 -41.5975 -22.6369 0.593352 -39.799 PRESSAVG: 1302200 -63.1485 77.2649 -49.993 77.2648 31.379 25.8208 -49.9929 25.8208 18.4599 GPRESSAVG: 1302200 -62.3108 74.753 -48.7841 77.9057 30.7446 24.6825 -49.0185 26.5024 18.295 TIMING: 1302200 CPU: 3782.06, 0.00291269/step Wall: 3782.06, 0.00291269/step, 2.99182 hours remaining, 203.652344 MB of memory in use. ENERGY: 1302200 766.8132 2047.0401 1955.7696 111.4821 -205925.0149 17622.9980 0.0000 0.0000 34461.5330 -148959.3788 300.9611 -183420.9118 -148856.2689 300.4868 -164.9429 -131.7290 559212.0515 -4.4365 -4.4238 PRESSURE: 1302400 -119.358 49.2939 -14.2288 49.294 111.234 -167.867 -14.228 -167.866 -170.82 GPRESSURE: 1302400 -48.6034 29.5027 -58.3782 19.3137 81.9048 -157.924 14.768 -265.324 -111.925 PRESSAVG: 1302400 -0.346411 46.5083 -42.7765 46.5084 5.34526 -2.91842 -42.7766 -2.91855 10.3932 GPRESSAVG: 1302400 -1.92119 45.023 -41.3329 45.2719 5.5742 -1.95699 -43.5777 -3.89894 11.7064 TIMING: 1302400 CPU: 3782.63, 0.00288912/step Wall: 3782.63, 0.00288912/step, 2.96745 hours remaining, 203.652344 MB of memory in use. ENERGY: 1302400 772.0990 2142.5052 1937.9910 116.6614 -205854.5434 17802.0272 0.0000 0.0000 34344.5362 -148738.7235 299.9394 -183083.2597 -148639.8529 300.6295 -59.6480 -26.2079 558022.1702 5.1307 5.1198 PRESSURE: 1302600 214.989 -41.6128 -185.47 -41.6134 118.766 126.88 -185.469 126.881 17.5863 GPRESSURE: 1302600 226.156 61.0689 -201.698 -104.279 157.564 34.3268 -186.924 112.174 71.8378 PRESSAVG: 1302600 53.4142 29.9486 0.848277 29.9487 -42.2074 -27.7843 0.848227 -27.7844 1.87011 GPRESSAVG: 1302600 54.427 32.8632 1.71801 30.3475 -41.8322 -27.9408 1.39918 -25.402 1.63045 TIMING: 1302600 CPU: 3783.21, 0.00288681/step Wall: 3783.21, 0.00288681/step, 2.96491 hours remaining, 203.652344 MB of memory in use. ENERGY: 1302600 753.6046 2087.3958 1940.4501 113.1267 -206298.4673 18114.7028 0.0000 0.0000 34474.1209 -148815.0662 301.0711 -183289.1871 -148722.3702 300.5642 117.1137 151.8527 559326.7911 4.3590 4.7417 PRESSURE: 1302800 -50.3848 154.718 -13.8676 154.719 -145.851 -16.0231 -13.8682 -16.0248 28.5677 GPRESSURE: 1302800 10.8673 18.1056 17.6088 267.118 -136.552 111.14 -8.897 -75.0816 68.5481 PRESSAVG: 1302800 16.5925 29.8624 -26.9156 29.8625 34.318 20.8567 -26.9157 20.8567 -26.577 GPRESSAVG: 1302800 16.7458 27.978 -27.3707 30.7203 34.2855 20.414 -28.2564 21.2657 -27.0969 TIMING: 1302800 CPU: 3783.8, 0.002917/step Wall: 3783.8, 0.00291699/step, 2.99575 hours remaining, 203.652344 MB of memory in use. ENERGY: 1302800 767.6153 2093.2006 1931.7462 100.3014 -206316.3368 17924.6984 0.0000 0.0000 34455.6633 -149043.1117 300.9099 -183498.7749 -148941.9576 300.5378 -55.8893 -19.0457 558317.5178 8.1112 7.9781 PRESSURE: 1303000 -283.154 99.6064 -49.414 99.6076 104.504 -64.9081 -49.4151 -64.9082 -24.0394 GPRESSURE: 1303000 -206.956 66.5569 -115.836 121.902 87.3253 -59.2769 -32.0263 -102.604 19.0633 PRESSAVG: 1303000 -5.90716 3.86548 8.3547 3.86539 -9.82442 4.79934 8.35469 4.79932 15.7318 GPRESSAVG: 1303000 -4.78847 8.60503 5.6869 1.35766 -9.70457 4.17719 10.1373 4.43795 14.8768 TIMING: 1303000 CPU: 3784.38, 0.00291205/step Wall: 3784.38, 0.00291205/step, 2.99051 hours remaining, 203.652344 MB of memory in use. ENERGY: 1303000 721.9900 2151.4471 1957.7321 119.0008 -205990.9468 17811.9787 0.0000 0.0000 34148.9252 -149079.8728 298.2311 -183228.7980 -148986.4512 299.8143 -67.5630 -33.5224 558786.2538 0.0001 0.1279 PRESSURE: 1303200 -70.1891 -29.5391 -42.5594 -29.538 32.6164 62.4957 -42.5614 62.4955 -37.7225 GPRESSURE: 1303200 -53.5834 -74.7505 14.5354 -12.1235 66.06 81.6414 -92.3702 57.1039 11.26 PRESSAVG: 1303200 27.108 -1.70362 16.8865 -1.70355 -22.6659 12.7063 16.8866 12.7063 -9.07747 GPRESSAVG: 1303200 24.7673 -3.93831 21.3903 0.160771 -21.6373 14.5665 14.411 10.7442 -7.3178 TIMING: 1303200 CPU: 3784.96, 0.00289613/step Wall: 3784.96, 0.00289613/step, 2.974 hours remaining, 203.652344 MB of memory in use. ENERGY: 1303200 778.7371 2097.7676 1957.1594 111.8757 -206398.7236 17830.7754 0.0000 0.0000 34562.7886 -149059.6199 301.8454 -183622.4085 -148956.8922 300.0637 -25.0984 7.9122 557862.7749 -1.5451 -1.3959 PRESSURE: 1303400 -181.391 -141.726 47.8787 -141.726 -77.3543 -40.2145 47.8786 -40.2151 -147.037 GPRESSURE: 1303400 -110.958 -150.654 13.8026 -148.766 -49.8402 -112.023 78.4757 49.8422 -153.627 PRESSAVG: 1303400 34.5443 19.858 24.9219 19.858 35.8896 -21.5323 24.9219 -21.5322 -86.2194 GPRESSAVG: 1303400 36.5221 20.5215 22.4084 18.8484 34.9008 -20.6844 25.9931 -21.3048 -87.2729 TIMING: 1303400 CPU: 3785.54, 0.00289599/step Wall: 3785.54, 0.00289599/step, 2.97369 hours remaining, 203.652344 MB of memory in use. ENERGY: 1303400 803.8920 2077.9286 1956.6294 113.6580 -205724.0115 17604.3139 0.0000 0.0000 34064.6376 -149102.9519 297.4950 -183167.5895 -148999.3126 299.7636 -135.2609 -104.8084 557905.3084 -5.2618 -5.2833 PRESSURE: 1303600 -178.241 59.811 -12.0538 59.8087 -96.7756 -136.102 -12.0533 -136.102 -264.4 GPRESSURE: 1303600 -181.185 -3.8474 29.9182 109.092 -113.629 -77.4391 -56.4809 -175.391 -160.386 PRESSAVG: 1303600 1.96968 -21.6887 59.9307 -21.6887 22.505 -12.7049 59.9306 -12.705 -7.20553 GPRESSAVG: 1303600 0.328442 -20.768 61.975 -21.5442 22.3837 -14.2317 60.5939 -11.1027 -5.35891 TIMING: 1303600 CPU: 3786.12, 0.00290535/step Wall: 3786.12, 0.00290535/step, 2.98315 hours remaining, 203.652344 MB of memory in use. ENERGY: 1303600 757.0269 2095.3038 1955.0734 119.5877 -206137.8100 17699.9436 0.0000 0.0000 34384.4383 -149126.4364 300.2879 -183510.8747 -149021.4342 299.9723 -179.8056 -151.7333 558281.6107 5.7564 5.7844 PRESSURE: 1303800 -27.251 188.715 -99.5969 188.717 127.928 37.4595 -99.5958 37.4595 9.45487 GPRESSURE: 1303800 9.07221 161.407 -216.347 108.92 153.008 58.1021 -10.9912 59.4024 38.8446 PRESSAVG: 1303800 58.8359 -5.77203 -0.886023 -5.77207 -47.4249 3.55058 -0.886046 3.55056 16.5905 GPRESSAVG: 1303800 58.9006 -7.52202 -3.36448 -2.84803 -47.1555 4.5976 -2.451 1.57927 15.6886 TIMING: 1303800 CPU: 3786.7, 0.00289455/step Wall: 3786.7, 0.00289455/step, 2.9719 hours remaining, 203.652344 MB of memory in use. ENERGY: 1303800 735.8504 2088.7406 1958.1265 105.1323 -205895.7756 17751.3891 0.0000 0.0000 34274.6352 -148981.9015 299.3289 -183256.5367 -148880.5104 299.6768 36.7106 66.9750 558147.9228 9.3338 9.1445 PRESSURE: 1304000 61.5461 82.8311 59.9201 82.8302 1.59706 -123.254 59.9198 -123.253 -64.0254 GPRESSURE: 1304000 92.0846 97.1615 58.4548 53.9234 17.1577 -101.94 27.8051 -52.9636 -20.6639 PRESSAVG: 1304000 -0.800239 18.7848 -51.7178 18.7848 -58.5271 -9.1859 -51.7177 -9.18587 56.7414 GPRESSAVG: 1304000 -1.73248 16.7932 -52.7427 16.5216 -58.3623 -9.52656 -49.98 -8.79132 56.6138 TIMING: 1304000 CPU: 3787.28, 0.00290556/step Wall: 3787.28, 0.00290557/step, 2.98305 hours remaining, 203.652344 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: 1304000 735.4311 2052.0857 1968.9177 114.3320 -206313.7637 17945.2654 0.0000 0.0000 34257.8613 -149239.8704 299.1824 -183497.7317 -149137.8891 299.5853 -0.2941 29.5261 557184.3823 -0.8620 -1.1603 PRESSURE: 1304200 -271.238 -141.696 -79.2378 -141.696 -176.14 55.3737 -79.2378 55.3727 99.2633 GPRESSURE: 1304200 -189.782 -198.539 -88.1668 -136.013 -124.963 32.0414 -38.0901 85.7206 63.6075 PRESSAVG: 1304200 -4.90888 -2.4373 -1.50286 -2.43741 -38.8059 -28.5441 -1.50286 -28.5441 46.4537 GPRESSAVG: 1304200 -4.7642 -0.758106 -1.65456 0.00844987 -39.1523 -28.1889 -2.16016 -28.6653 46.2968 TIMING: 1304200 CPU: 3787.86, 0.00289574/step Wall: 3787.86, 0.00289574/step, 2.9728 hours remaining, 203.652344 MB of memory in use. ENERGY: 1304200 744.2587 2090.1478 1950.5125 118.2337 -205833.3340 17611.5093 0.0000 0.0000 34291.6709 -149027.0011 299.4777 -183318.6720 -148931.8875 299.1585 -116.0385 -83.7126 557739.5569 0.9130 0.7934 LDB: ============= START OF LOAD BALANCING ============== 3791.32 LDB: ============== END OF LOAD BALANCING =============== 3791.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3791.32 LDB: ============= START OF LOAD BALANCING ============== 3791.61 LDB: Largest compute 4820 load 0.028317 is 24.1% of average load 0.117593 LDB: Average compute 0.001728 is 1.5% of average load 0.117593 LDB: TIME 3791.62 LOAD: AVG 0.117593 MAX 0.178551 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.547 MB LDB: TIME 3791.62 LOAD: AVG 0.117593 MAX 0.178551 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.547 MB LDB: TIME 3791.62 LOAD: AVG 0.117593 MAX 0.178551 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.547 MB LDB: ============== END OF LOAD BALANCING =============== 3791.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3791.62 PRESSURE: 1304400 -16.2393 198.219 65.1286 198.22 98.757 -150.031 65.1291 -150.031 319.361 GPRESSURE: 1304400 51.1518 185.982 -11.1633 198.551 75.7994 -152.251 115.609 -103.982 352.489 PRESSAVG: 1304400 -4.97363 14.0364 -32.6074 14.0365 -1.61417 -23.7426 -32.6074 -23.7426 32.0141 GPRESSAVG: 1304400 -5.23509 12.287 -30.7711 12.3558 -1.67756 -25.3293 -32.144 -21.666 32.2735 TIMING: 1304400 CPU: 3788.45, 0.00294842/step Wall: 3788.45, 0.00294842/step, 3.02672 hours remaining, 205.078125 MB of memory in use. ENERGY: 1304400 728.8917 2072.3071 1955.5052 111.9922 -206185.2301 17978.7663 0.0000 0.0000 34461.9959 -148875.7717 300.9652 -183337.7676 -148793.1886 300.1422 133.9597 159.8135 557240.1557 8.4754 8.4536 PRESSURE: 1304600 27.4856 -10.8471 187.606 -10.8482 -29.3344 -165.484 187.606 -165.485 -107.007 GPRESSURE: 1304600 47.4493 -28.4603 91.3722 51.5366 -21.3694 -112.922 232.046 -107.103 -42.3113 PRESSAVG: 1304600 -5.03709 -8.23742 -1.07258 -8.2375 5.86663 5.70134 -1.07259 5.70126 9.18979 GPRESSAVG: 1304600 -4.13097 -6.00395 -0.620657 -7.46925 5.25147 8.44309 -2.44822 4.0244 8.84989 TIMING: 1304600 CPU: 3789.02, 0.00287621/step Wall: 3789.02, 0.00287621/step, 2.95243 hours remaining, 205.277344 MB of memory in use. ENERGY: 1304600 764.8311 2092.6033 1999.6580 115.0276 -206048.9636 17680.4828 0.0000 0.0000 34558.6005 -148837.7603 301.8089 -183396.3608 -148740.4309 300.0625 -36.2851 -5.4105 557911.3437 3.3398 3.3235 PRESSURE: 1304800 -336.216 31.7648 -52.8054 31.7653 35.8076 -222.62 -52.8064 -222.62 -8.5661 GPRESSURE: 1304800 -313.511 -39.542 -9.96747 61.1389 90.8194 -139.529 -75.6126 -175.72 4.366 PRESSAVG: 1304800 5.6125 3.15809 -9.45815 3.15807 -11.9414 2.8112 -9.4583 2.81127 12.7612 GPRESSAVG: 1304800 5.62391 2.21144 -10.2183 2.59062 -11.4879 1.03981 -7.61138 4.69495 12.3565 TIMING: 1304800 CPU: 3789.6, 0.00291739/step Wall: 3789.6, 0.00291739/step, 2.99453 hours remaining, 205.277344 MB of memory in use. ENERGY: 1304800 783.1915 2052.2692 1971.8610 112.0832 -206215.6691 17825.9833 0.0000 0.0000 34448.6731 -149021.6078 300.8488 -183470.2809 -148918.8667 300.2105 -102.9915 -72.7753 558611.6597 2.1441 2.1642 PRESSURE: 1305000 -5.13932 -17.6489 60.8854 -17.6498 -159.766 15.544 60.8846 15.545 60.7049 GPRESSURE: 1305000 0.280943 -3.47841 125.535 59.9958 -99.2306 -73.8873 49.0766 5.11456 91.9309 PRESSAVG: 1305000 -32.164 -18.4987 -0.0752962 -18.4987 -28.9085 -5.68551 -0.0753502 -5.68547 -14.7316 GPRESSAVG: 1305000 -32.4411 -15.4091 -0.606437 -19.7552 -27.9931 -6.50454 -2.11949 -6.69497 -15.19 TIMING: 1305000 CPU: 3790.19, 0.00291868/step Wall: 3790.19, 0.00291868/step, 2.9957 hours remaining, 205.468750 MB of memory in use. ENERGY: 1305000 758.0118 2113.7170 1950.4244 114.1658 -205602.8857 17744.3781 0.0000 0.0000 33970.0734 -148952.1152 296.6691 -182922.1885 -148850.5432 298.9387 -34.7335 -2.3396 560043.5367 -25.2680 -25.2081 PRESSURE: 1305200 -43.3909 -28.1204 -63.5767 -28.1196 -313.19 207.915 -63.5778 207.914 -205.842 GPRESSURE: 1305200 -43.0747 -98.9993 -54.4349 8.93599 -309.387 276.402 -87.2031 136.792 -117.379 PRESSAVG: 1305200 0.402571 -11.2414 16.6383 -11.2414 -13.0582 39.9373 16.6383 39.9374 49.3409 GPRESSAVG: 1305200 0.985943 -13.9941 15.557 -9.92532 -14.4956 42.6737 16.9706 37.2204 50.5766 TIMING: 1305200 CPU: 3790.77, 0.00290063/step Wall: 3790.77, 0.00290063/step, 2.97701 hours remaining, 205.468750 MB of memory in use. ENERGY: 1305200 806.9234 2070.8429 1965.8327 99.7387 -205924.2860 17682.3944 0.0000 0.0000 34253.1587 -149045.3952 299.1414 -183298.5538 -148943.9352 299.2975 -187.4743 -156.6136 559455.6899 12.2284 12.3557 PRESSURE: 1305400 36.0754 111.334 61.973 111.335 -254.596 -78.5124 61.9721 -78.5134 -154.132 GPRESSURE: 1305400 114.706 111.165 107.029 74.5618 -229.027 -18.8194 -71.6161 -138.946 -162.047 PRESSAVG: 1305400 86.5186 -39.1967 -36.0644 -39.1967 -33.0724 9.14377 -36.0645 9.14377 -35.3342 GPRESSAVG: 1305400 87.0848 -39.0294 -34.3692 -40.6561 -32.1236 8.74275 -37.3524 10.597 -36.1775 TIMING: 1305400 CPU: 3791.35, 0.00290464/step Wall: 3791.35, 0.00290464/step, 2.98097 hours remaining, 205.468750 MB of memory in use. ENERGY: 1305400 757.9730 2165.7103 1939.2386 103.4899 -206194.3591 17850.2556 0.0000 0.0000 34154.5273 -149223.1644 298.2800 -183377.6916 -149127.9952 299.0911 -124.2175 -92.1225 559298.6457 6.0373 6.2612 PRESSURE: 1305600 -124.301 67.519 -143.982 67.5196 67.338 -25.0979 -143.982 -25.0985 43.3322 GPRESSURE: 1305600 -65.165 50.7328 -174.128 133.44 101.055 -82.0059 -167.709 -25.248 39.1514 PRESSAVG: 1305600 12.5025 39.1308 -21.1154 39.1309 -59.8634 -3.5673 -21.1153 -3.56735 50.5716 GPRESSAVG: 1305600 11.9938 38.9996 -21.8846 42.1635 -59.8853 -4.06523 -19.5958 -2.1974 50.9092 TIMING: 1305600 CPU: 3791.93, 0.0029046/step Wall: 3791.93, 0.0029046/step, 2.98076 hours remaining, 205.468750 MB of memory in use. ENERGY: 1305600 753.7578 2097.6719 1959.9846 113.8601 -206527.5534 18015.4021 0.0000 0.0000 34167.0257 -149419.8511 298.3891 -183586.8768 -149321.8428 298.3400 -4.5436 25.0138 559442.5332 1.0702 1.0059 PRESSURE: 1305800 193.315 -17.5204 -86.6549 -17.5196 -125.376 -80.6051 -86.6553 -80.6064 127.979 GPRESSURE: 1305800 179.992 -2.21841 -69.1408 0.634924 -94.5409 -158.989 -16.424 -129.704 206.553 PRESSAVG: 1305800 -32.3653 37.1933 -33.7731 37.1932 -47.3722 -20.268 -33.7731 -20.268 75.9839 GPRESSAVG: 1305800 -32.0297 37.4044 -32.0436 35.72 -47.6181 -19.4511 -34.687 -23.8591 76.0003 TIMING: 1305800 CPU: 3792.51, 0.00287432/step Wall: 3792.51, 0.00287432/step, 2.94953 hours remaining, 205.468750 MB of memory in use. ENERGY: 1305800 747.7334 2095.1332 1937.5603 111.1488 -206488.7978 18019.3379 0.0000 0.0000 34367.5151 -149210.3689 300.1401 -183577.8841 -149110.1532 298.7262 65.3061 97.3346 559305.7170 -1.2512 -1.2158 PRESSURE: 1306000 224.27 -4.47691 -28.1238 -4.4762 240.008 -45.0093 -28.1252 -45.0091 240.184 GPRESSURE: 1306000 233.173 16.1302 36.9455 -28.9381 267.103 -46.4003 -67.4183 24.5965 302.477 PRESSAVG: 1306000 -32.3265 -5.85132 -63.9972 -5.85127 -13.1827 -67.0051 -63.9972 -67.0052 16.5972 GPRESSAVG: 1306000 -33.6687 -5.14532 -66.1525 -6.25959 -12.1055 -68.568 -63.3149 -66.1759 16.5098 TIMING: 1306000 CPU: 3793.08, 0.00288828/step Wall: 3793.08, 0.00288828/step, 2.9637 hours remaining, 205.468750 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: 1306000 709.0911 2063.8808 1961.3897 108.4888 -206723.7044 18261.2811 0.0000 0.0000 34283.1894 -149336.3835 299.4036 -183619.5729 -149239.6004 299.4064 234.8206 267.5840 557909.8471 -9.6373 -9.7548 PRESSURE: 1306200 -205.016 -13.5966 -143.685 -13.5956 84.299 -107.276 -143.683 -107.278 -266.278 GPRESSURE: 1306200 -159.494 32.1111 -164.84 -102.931 109.003 -114.944 -190.941 -211.873 -249.667 PRESSAVG: 1306200 -10.4974 4.55592 -31.4607 4.55598 35.5268 -22.9026 -31.4608 -22.9024 14.7354 GPRESSAVG: 1306200 -9.57443 4.74445 -30.0461 4.53381 34.5762 -19.8502 -32.3192 -22.617 14.7377 TIMING: 1306200 CPU: 3793.66, 0.00290348/step Wall: 3793.66, 0.00290348/step, 2.97913 hours remaining, 205.468750 MB of memory in use. ENERGY: 1306200 749.5763 2133.1465 1960.1426 109.6173 -206351.6990 17922.4507 0.0000 0.0000 33988.4112 -149488.3544 296.8292 -183476.7655 -149396.5235 297.8073 -128.9983 -100.0525 560084.8819 13.2549 13.2465 PRESSURE: 1306400 225.546 30.743 -100.592 30.7437 -110.149 5.3395 -100.592 5.33901 110.244 GPRESSURE: 1306400 241.8 -33.8594 -162.878 55.1571 -73.2025 43.7945 -22.4002 -9.60119 142.959 PRESSAVG: 1306400 -22.6561 57.1474 -49.4242 57.1474 66.5144 -50.4716 -49.4243 -50.4716 -29.0505 GPRESSAVG: 1306400 -24.4987 57.2829 -49.8754 56.8672 68.0218 -51.331 -47.7993 -50.392 -29.2017 TIMING: 1306400 CPU: 3794.25, 0.00290895/step Wall: 3794.25, 0.00290895/step, 2.98458 hours remaining, 205.468750 MB of memory in use. ENERGY: 1306400 713.3570 2098.3239 1947.0122 129.3857 -206714.1927 18090.6004 0.0000 0.0000 34297.6286 -149437.8850 299.5297 -183735.5135 -149343.1568 298.5559 75.2135 103.8523 558324.8725 4.9359 4.7738 PRESSURE: 1306600 -162.192 44.8741 -31.6139 44.8747 -245.586 67.4428 -31.6128 67.4431 54.7787 GPRESSURE: 1306600 -102.687 126.789 21.9152 -20.2353 -143.457 47.975 -26.4502 42.7997 4.89484 PRESSAVG: 1306600 -30.5125 28.6552 2.83472 28.6552 10.4269 -18.6978 2.83475 -18.6977 -0.0703391 GPRESSAVG: 1306600 -28.4788 27.5315 1.89177 30.7344 9.85679 -20.8249 3.51312 -16.6905 -1.47037 TIMING: 1306600 CPU: 3794.83, 0.0029233/step Wall: 3794.83, 0.0029233/step, 2.99914 hours remaining, 205.468750 MB of memory in use. ENERGY: 1306600 765.8182 2024.3523 1936.9453 100.6391 -206137.9720 17754.4132 0.0000 0.0000 34218.3821 -149337.4219 298.8376 -183555.8040 -149238.4841 298.5217 -117.6664 -80.4163 557112.0265 -6.7187 -6.6975 PRESSURE: 1306800 82.5148 55.0375 -44.4471 55.0376 -4.42906 -82.4937 -44.4463 -82.4938 -45.0056 GPRESSURE: 1306800 87.9199 167.944 -54.0865 2.09472 91.3531 -92.0147 20.319 -26.6969 -43.0497 PRESSAVG: 1306800 7.60517 34.6899 -62.654 34.6898 -20.9672 32.9415 -62.654 32.9414 26.4141 GPRESSAVG: 1306800 8.40832 36.164 -61.0003 32.7663 -21.3187 33.1899 -65.1986 32.1068 26.0195 TIMING: 1306800 CPU: 3795.41, 0.00289522/step Wall: 3795.41, 0.00289522/step, 2.97017 hours remaining, 205.468750 MB of memory in use. ENERGY: 1306800 753.2045 2104.6303 1925.0779 116.8352 -206370.2462 17982.8910 0.0000 0.0000 33948.6144 -149538.9928 296.4817 -183487.6072 -149446.3819 298.4401 11.0267 45.4078 557448.7574 4.3507 4.3697 PRESSURE: 1307000 -228.86 48.4986 43.2296 48.4988 250.318 -153.392 43.2296 -153.392 79.3423 GPRESSURE: 1307000 -120.152 14.0316 9.50055 49.2745 255.534 -156.376 29.757 -166.308 68.9055 PRESSAVG: 1307000 -18.3527 -0.143505 24.294 -0.143547 -4.33539 -19.4279 24.294 -19.4279 54.7018 GPRESSAVG: 1307000 -19.1438 -1.11354 24.1017 -1.65979 -3.6866 -18.4887 23.9095 -19.5408 55.1456 TIMING: 1307000 CPU: 3795.99, 0.00288031/step Wall: 3795.99, 0.00288031/step, 2.95472 hours remaining, 205.468750 MB of memory in use. ENERGY: 1307000 761.8753 2023.0858 1909.5604 121.9434 -206340.2292 17853.6897 0.0000 0.0000 34322.2914 -149347.7832 299.7451 -183670.0746 -149256.6153 298.3235 33.6000 68.0958 556824.5216 10.6713 10.7717 PRESSURE: 1307200 -90.4517 -48.6993 -141.158 -48.7003 -234.867 25.1975 -141.158 25.1988 -157.349 GPRESSURE: 1307200 -60.9568 -71.9788 -145.058 -93.5491 -209.354 15.1571 -99.4067 63.5316 -108.301 PRESSAVG: 1307200 -15.9561 -22.9733 -38.113 -22.9734 -41.1633 -47.439 -38.1129 -47.4392 80.4158 GPRESSAVG: 1307200 -16.5105 -24.4372 -37.6991 -21.5442 -40.5284 -47.3206 -38.2621 -45.7232 80.2681 TIMING: 1307200 CPU: 3796.56, 0.0028829/step Wall: 3796.56, 0.0028829/step, 2.95722 hours remaining, 205.468750 MB of memory in use. ENERGY: 1307200 785.2600 2049.8031 1968.9317 113.0237 -205995.2954 17679.3007 0.0000 0.0000 33977.5658 -149421.4104 296.7345 -183398.9762 -149320.7186 298.7397 -160.8892 -126.2040 558423.8620 7.7655 7.7431 PRESSURE: 1307400 -49.6874 -296.119 44.8815 -296.117 108.721 165.057 44.8815 165.057 -27.5661 GPRESSURE: 1307400 41.4657 -308.181 74.121 -201.391 94.5076 166.58 93.8831 104.615 -4.34517 PRESSAVG: 1307400 -11.8026 -41.5983 -34.4733 -41.5983 -6.56658 16.8312 -34.4732 16.8311 -3.52025 GPRESSAVG: 1307400 -10.642 -40.2789 -36.234 -41.1101 -8.91011 16.4725 -33.5717 13.7439 -2.35665 TIMING: 1307400 CPU: 3797.14, 0.0028983/step Wall: 3797.14, 0.0028983/step, 2.97285 hours remaining, 205.468750 MB of memory in use. ENERGY: 1307400 753.5015 2052.5829 1949.1681 101.1847 -206243.7147 17818.7023 0.0000 0.0000 34016.5469 -149552.0283 297.0750 -183568.5753 -149456.1251 298.9993 10.4892 43.8761 556878.8178 -7.2965 -7.3029 PRESSURE: 1307600 17.8272 -47.8477 -50.0682 -47.8485 -70.2661 -99.1271 -50.0691 -99.1264 -17.8375 GPRESSURE: 1307600 23.4074 -172.54 -32.4397 63.9329 -69.2403 -82.2649 -106.476 -150.662 54.9952 PRESSAVG: 1307600 20.7576 -27.4588 -18.1808 -27.4589 24.7653 1.64252 -18.1809 1.64256 -15.2079 GPRESSAVG: 1307600 20.6591 -30.5562 -17.7609 -26.6732 24.6725 1.63478 -17.961 3.03301 -15.4456 TIMING: 1307600 CPU: 3797.72, 0.00291188/step Wall: 3797.72, 0.00291188/step, 2.98662 hours remaining, 205.468750 MB of memory in use. ENERGY: 1307600 738.4889 2077.7323 1958.2762 123.5717 -206465.2032 18030.7964 0.0000 0.0000 34051.6290 -149484.7088 297.3813 -183536.3378 -149385.9035 298.6696 -23.4255 3.0541 556657.0756 10.1050 9.9620 PRESSURE: 1307800 -47.9732 -22.1954 -83.4674 -22.1962 -226.391 188.333 -83.4685 188.333 -221.125 GPRESSURE: 1307800 -53.1379 -79.1164 -141.466 -83.5856 -124.175 192.834 -70.9247 190.129 -227.541 PRESSAVG: 1307800 26.4696 -13.359 30.4377 -13.3591 -48.4742 13.0121 30.4376 13.0122 8.52436 GPRESSAVG: 1307800 26.1284 -11.2966 29.816 -15.1142 -46.9601 12.2337 31.6409 12.2199 7.46714 TIMING: 1307800 CPU: 3798.31, 0.00291935/step Wall: 3798.31, 0.00291935/step, 2.99412 hours remaining, 205.468750 MB of memory in use. ENERGY: 1307800 756.3599 2107.0035 1949.1894 115.7609 -205984.9751 17690.5788 0.0000 0.0000 34034.7508 -149331.3319 297.2339 -183366.0827 -149237.4557 297.5409 -165.1632 -134.9512 558339.3041 -4.4934 -4.4549 PRESSURE: 1308000 16.3965 60.592 8.92454 60.5914 168.705 173.923 8.92396 173.922 -134.275 GPRESSURE: 1308000 85.487 108.933 21.3692 46.2635 147.445 246.832 -19.8051 143.081 -93.1641 PRESSAVG: 1308000 48.4236 -11.1259 16.6179 -11.1258 1.05998 99.2139 16.6179 99.2138 -17.6984 GPRESSAVG: 1308000 47.5863 -10.7673 19.0508 -9.95402 0.398832 99.5702 15.9307 102.089 -16.5537 TIMING: 1308000 CPU: 3798.89, 0.00290224/step Wall: 3798.89, 0.00290224/step, 2.97641 hours remaining, 205.468750 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: 1308000 745.2024 2078.9897 1939.4849 112.9818 -206291.4829 17965.6118 0.0000 0.0000 34304.6112 -149144.6011 299.5907 -183449.2123 -149049.0667 299.2866 16.9420 46.5895 558280.2509 10.5951 10.4771 PRESSURE: 1308200 -10.1823 -24.0269 47.0779 -24.0275 -9.33502 117.539 47.0784 117.538 -51.8084 GPRESSURE: 1308200 12.7545 -3.10066 -28.5125 -75.1217 43.943 82.0347 8.05144 131.327 -21.3933 PRESSAVG: 1308200 4.34994 5.84994 29.6764 5.84994 -11.2407 4.6457 29.6764 4.64565 14.8641 GPRESSAVG: 1308200 5.28366 4.94781 27.4841 5.72563 -10.9736 4.21885 29.5785 3.09804 14.1374 TIMING: 1308200 CPU: 3799.47, 0.00290859/step Wall: 3799.47, 0.00290859/step, 2.98276 hours remaining, 205.468750 MB of memory in use. ENERGY: 1308200 742.5040 2126.3600 1950.0232 118.9457 -206199.0117 17814.3608 0.0000 0.0000 34361.0817 -149085.7364 300.0839 -183446.8180 -148993.0751 299.3507 -23.7753 11.7681 557344.2370 2.6578 2.8158 LDB: ============= START OF LOAD BALANCING ============== 3802.94 LDB: ============== END OF LOAD BALANCING =============== 3802.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3802.94 LDB: ============= START OF LOAD BALANCING ============== 3803.23 LDB: Largest compute 4820 load 0.029354 is 25.0% of average load 0.117591 LDB: Average compute 0.001733 is 1.5% of average load 0.117591 LDB: TIME 3803.23 LOAD: AVG 0.117591 MAX 0.178323 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.566 MB LDB: TIME 3803.23 LOAD: AVG 0.117591 MAX 0.178323 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.77 MB LDB: TIME 3803.23 LOAD: AVG 0.117591 MAX 0.178323 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3803.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3803.24 PRESSURE: 1308400 163.301 -41.2516 -191.783 -41.2515 193.111 3.93282 -191.783 3.93262 -98.005 GPRESSURE: 1308400 216.894 -16.7036 -146.06 -34.1412 206.208 -28.3429 -277.917 -2.11685 -61.7214 PRESSAVG: 1308400 -6.72888 1.08596 -29.7176 1.08602 53.3599 -13.3622 -29.7177 -13.3623 -20.9422 GPRESSAVG: 1308400 -5.98968 1.12403 -28.7139 0.676707 51.8251 -11.305 -29.9644 -14.5361 -20.5941 TIMING: 1308400 CPU: 3800.06, 0.00294969/step Wall: 3800.06, 0.00294969/step, 3.02474 hours remaining, 206.066406 MB of memory in use. ENERGY: 1308400 770.5299 2067.7035 1965.1395 112.6614 -206449.8882 17957.3996 0.0000 0.0000 34529.0170 -149047.4372 301.5505 -183576.4543 -148947.1282 299.4822 86.1355 120.4602 557299.6876 8.5629 8.4138 PRESSURE: 1308600 -6.68906 -68.2904 91.5007 -68.2897 123.56 38.3624 91.5009 38.3632 241.948 GPRESSURE: 1308600 57.0626 -67.3677 149.166 -97.8549 179.701 135.57 52.5778 13.3285 218.221 PRESSAVG: 1308600 21.0304 15.3482 -44.7567 15.3482 15.4883 15.0579 -44.7566 15.0579 -9.42102 GPRESSAVG: 1308600 19.9215 14.1694 -46.2234 15.9908 16.1156 14.0978 -43.7324 15.9025 -9.31803 TIMING: 1308600 CPU: 3800.64, 0.0029055/step Wall: 3800.64, 0.0029055/step, 2.97927 hours remaining, 206.378906 MB of memory in use. ENERGY: 1308600 750.5807 2086.0580 1948.6652 120.1539 -206466.6810 17981.9695 0.0000 0.0000 34398.6022 -149180.6516 300.4115 -183579.2538 -149080.0331 300.0289 119.6062 151.6616 556674.3710 9.0326 8.9064 PRESSURE: 1308800 -316.768 4.98625 81.9463 4.98631 -1.08791 -59.4523 81.947 -59.4514 -8.29934 GPRESSURE: 1308800 -266.573 17.7919 47.3831 -61.8904 -70.3737 -122.802 61.3575 36.3662 95.8314 PRESSAVG: 1308800 11.2938 -28.9339 -28.4265 -28.9339 -13.1015 22.5641 -28.4265 22.5641 4.09724 GPRESSAVG: 1308800 11.913 -27.3108 -27.5783 -27.7312 -13.1161 22.2277 -28.7339 22.3128 3.43056 TIMING: 1308800 CPU: 3801.22, 0.00290661/step Wall: 3801.22, 0.00290661/step, 2.98024 hours remaining, 206.378906 MB of memory in use. ENERGY: 1308800 780.8059 2090.6906 1974.9762 117.5306 -205843.1170 17646.7574 0.0000 0.0000 34007.5575 -149224.7988 296.9965 -183232.3563 -149129.1040 298.8617 -108.7185 -80.3717 556466.1017 0.7632 0.7425 PRESSURE: 1309000 -76.0245 36.106 98.9373 36.1065 -197.902 122.619 98.9369 122.62 -144.565 GPRESSURE: 1309000 -65.151 40.8405 56.9956 -50.0728 -125.86 89.9952 94.8858 143.373 -123.023 PRESSAVG: 1309000 -3.36764 40.0016 -22.3587 40.0015 44.9421 6.4979 -22.3587 6.498 -55.2932 GPRESSAVG: 1309000 -4.01139 41.3527 -23.3211 37.049 45.0245 7.3962 -23.7139 5.73098 -54.9764 TIMING: 1309000 CPU: 3801.8, 0.00287469/step Wall: 3801.8, 0.00287469/step, 2.94735 hours remaining, 206.378906 MB of memory in use. ENERGY: 1309000 771.8157 2058.9546 1959.1190 106.2678 -205810.2336 17627.9777 0.0000 0.0000 34219.5449 -149066.5539 298.8478 -183286.0987 -148963.2453 299.2046 -139.4972 -104.6780 557686.3186 -4.5729 -4.6544 PRESSURE: 1309200 -150.056 -167.933 42.3843 -167.934 65.749 -99.823 42.3846 -99.8227 -117.199 GPRESSURE: 1309200 -85.4086 -150.377 113.389 -122.579 117.068 -86.7543 29.983 -135.327 -132.142 PRESSAVG: 1309200 35.1306 52.6981 -35.2758 52.6981 3.10378 40.2253 -35.2757 40.2254 -19.6778 GPRESSAVG: 1309200 34.8247 49.5228 -34.8412 55.7991 3.43654 39.6312 -34.8569 41.2132 -19.9957 TIMING: 1309200 CPU: 3802.37, 0.00288058/step Wall: 3802.37, 0.00288058/step, 2.95324 hours remaining, 206.378906 MB of memory in use. ENERGY: 1309200 759.7361 2043.4011 1959.1759 115.5902 -205991.5834 17772.2758 0.0000 0.0000 34148.7513 -149192.6531 298.2295 -183341.4044 -149095.1947 299.3321 -67.1686 -33.4945 556680.9494 6.1855 6.0885 PRESSURE: 1309400 -51.4858 -156.06 -110.814 -156.059 -86.2796 47.9696 -110.815 47.9703 26.1803 GPRESSURE: 1309400 -29.6993 -100.181 -103.022 -209.993 -47.7276 124.503 -127.829 75.3151 50.1014 PRESSAVG: 1309400 18.1558 42.4978 -18.6362 42.4978 22.0986 22.9426 -18.6362 22.9427 2.96411 GPRESSAVG: 1309400 16.7302 43.2426 -17.9815 41.5936 23.176 22.918 -21.4315 21.9114 3.50198 TIMING: 1309400 CPU: 3802.95, 0.00290267/step Wall: 3802.95, 0.00290267/step, 2.97572 hours remaining, 206.378906 MB of memory in use. ENERGY: 1309400 701.6606 2079.5339 1963.2589 111.3283 -206216.7638 17726.8940 0.0000 0.0000 34360.6512 -149273.4369 300.0801 -183634.0881 -149181.7909 299.1663 -37.1950 -9.1085 556871.2313 14.4062 14.4694 PRESSURE: 1309600 -60.5598 61.6352 123.97 61.6335 -30.6567 85.584 123.968 85.5851 -58.6181 GPRESSURE: 1309600 24.3629 26.1358 191.454 114.96 -61.2466 54.3454 47.9586 79.5851 -14.4205 PRESSAVG: 1309600 4.57985 -9.70713 -38.4957 -9.70727 -38.0454 13.2492 -38.4957 13.2492 40.9065 GPRESSAVG: 1309600 5.32043 -7.95202 -38.549 -8.56914 -39.5968 12.4685 -36.5978 13.3457 41.5195 TIMING: 1309600 CPU: 3803.53, 0.00290256/step Wall: 3803.53, 0.00290256/step, 2.97545 hours remaining, 206.636719 MB of memory in use. ENERGY: 1309600 740.0202 2030.7301 2003.7995 112.5295 -206329.5204 17863.6222 0.0000 0.0000 34070.7322 -149508.0868 297.5482 -183578.8190 -149416.0143 299.1028 -49.9449 -17.1014 556551.2400 2.4803 2.4144 PRESSURE: 1309800 -103.545 -167.934 81.7889 -167.934 -252.121 129.227 81.7875 129.227 -117.008 GPRESSURE: 1309800 -82.1993 -125.347 97.2574 -144.785 -164.747 146.368 18.6053 103.942 -132.962 PRESSAVG: 1309800 -36.7834 -29.3158 -6.07251 -29.3159 -11.3554 51.0696 -6.07256 51.0697 35.759 GPRESSAVG: 1309800 -36.8937 -29.4652 -6.82281 -31.3664 -10.5601 53.6241 -5.1705 50.4505 35.0394 TIMING: 1309800 CPU: 3804.11, 0.00289757/step Wall: 3804.11, 0.00289757/step, 2.97017 hours remaining, 206.636719 MB of memory in use. ENERGY: 1309800 725.3125 2065.2658 1966.6291 107.9219 -206300.3977 17699.8852 0.0000 0.0000 34310.8378 -149424.5454 299.6451 -183735.3832 -149331.2657 298.6747 -157.5579 -126.6363 558494.8589 -4.1266 -4.1381 PRESSURE: 1310000 85.3704 -89.987 12.7855 -89.9856 121.512 122.001 12.7858 122.001 166.489 GPRESSURE: 1310000 129.672 -84.1953 -34.241 -23.9936 157.432 155.921 35.0586 112.12 181.388 PRESSAVG: 1310000 6.90794 -10.066 -15.5451 -10.066 -29.6247 -26.2896 -15.5451 -26.2895 32.5396 GPRESSAVG: 1310000 7.37396 -13.0353 -15.5909 -8.03686 -29.448 -26.7181 -14.8441 -25.8989 31.8538 TIMING: 1310000 CPU: 3804.7, 0.00294956/step Wall: 3804.7, 0.00294956/step, 3.0233 hours remaining, 206.636719 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: 1310000 755.0575 2121.8687 1939.5345 120.2613 -207038.7725 18427.1510 0.0000 0.0000 34184.8096 -149490.0899 298.5444 -183674.8995 -149398.7495 298.4178 124.4573 156.1641 556989.7081 3.2743 3.2599 PRESSURE: 1310200 -26.1567 -41.2343 66.9929 -41.2351 93.2652 43.8157 66.9929 43.815 53.4537 GPRESSURE: 1310200 -27.8095 -72.8121 92.114 53.1684 158.248 49.3943 70.736 9.58991 84.306 PRESSAVG: 1310200 9.02253 33.2151 32.8066 33.215 -25.9453 56.9284 32.8066 56.9285 31.1443 GPRESSAVG: 1310200 7.57332 35.3462 33.514 32.8495 -25.699 56.4775 31.6281 57.8978 32.1665 TIMING: 1310200 CPU: 3805.29, 0.00291964/step Wall: 3805.29, 0.00291964/step, 2.99247 hours remaining, 206.636719 MB of memory in use. ENERGY: 1310200 724.3465 2064.9694 1950.4256 131.9517 -206353.5590 17834.6222 0.0000 0.0000 34314.9355 -149332.3080 299.6809 -183647.2435 -149226.8869 299.0603 40.1874 71.5815 555967.7239 4.7405 4.6803 PRESSURE: 1310400 194.073 5.10845 -30.5183 5.10798 215.843 48.9652 -30.5178 48.9642 25.5752 GPRESSURE: 1310400 223.947 -20.2942 47.1247 51.4096 211.985 23.7413 -17.7673 -26.7445 87.6718 PRESSAVG: 1310400 66.672 5.95788 14.0502 5.95794 -30.0986 -43.8238 14.0502 -43.8237 -33.0263 GPRESSAVG: 1310400 69.3104 5.98288 15.5646 5.09996 -30.4087 -44.1481 14.5077 -43.4226 -35.2277 TIMING: 1310400 CPU: 3805.87, 0.00292337/step Wall: 3805.87, 0.00292337/step, 2.99613 hours remaining, 206.636719 MB of memory in use. ENERGY: 1310400 726.6367 2047.6263 1944.6277 106.3828 -206331.1422 17924.8274 0.0000 0.0000 34297.1771 -149283.8642 299.5258 -183581.0413 -149189.2718 298.7877 145.1637 174.5346 557153.7981 1.1824 1.2247 PRESSURE: 1310600 17.6881 43.2082 -38.388 43.2079 -477.983 146.239 -38.3877 146.24 -373.67 GPRESSURE: 1310600 67.8474 -0.56164 -79.3994 63.5599 -488.171 91.4072 -29.9268 234.377 -312.447 PRESSAVG: 1310600 37.5513 37.1521 20.6818 37.1522 9.10755 42.2126 20.6818 42.2125 -26.0582 GPRESSAVG: 1310600 36.6899 36.4576 20.8076 39.3676 8.43184 44.586 19.1542 40.5137 -24.8277 TIMING: 1310600 CPU: 3806.46, 0.00292876/step Wall: 3806.46, 0.00292876/step, 3.00149 hours remaining, 206.636719 MB of memory in use. ENERGY: 1310600 755.9839 2119.7947 1960.1009 120.8787 -205902.9254 17406.4193 0.0000 0.0000 34303.6834 -149236.0645 299.5826 -183539.7480 -149140.4974 299.2565 -277.9883 -244.2569 558089.7500 6.8669 6.7647 PRESSURE: 1310800 -40.0843 -30.4422 96.272 -30.4446 161.706 -186.883 96.2722 -186.884 -217.899 GPRESSURE: 1310800 -17.2082 5.85935 200.304 -67.6141 203.784 -205.709 41.7044 -235.635 -200.855 PRESSAVG: 1310800 24.7615 10.196 56.0713 10.1959 9.76959 -24.2155 56.0711 -24.2156 19.654 GPRESSAVG: 1310800 24.8094 9.77446 53.1421 9.96478 10.6156 -25.1036 56.9593 -23.7976 18.7686 TIMING: 1310800 CPU: 3807.05, 0.00293884/step Wall: 3807.05, 0.00293884/step, 3.01166 hours remaining, 206.648438 MB of memory in use. ENERGY: 1310800 757.5280 2123.4575 1961.1192 108.9668 -206414.3723 17867.6884 0.0000 0.0000 34217.6875 -149377.9249 298.8316 -183595.6125 -149279.0614 298.7717 -32.0925 -4.7596 556860.9568 18.0617 18.0645 PRESSURE: 1311000 -77.1607 -35.7291 107.722 -35.7296 23.0145 112.714 107.722 112.714 26.8859 GPRESSURE: 1311000 -43.1114 -6.41526 111.195 -38.3452 34.9904 45.3016 99.5694 114.754 63.2604 PRESSAVG: 1311000 -2.43191 11.9457 16.0725 11.9455 -27.0088 -7.89217 16.0726 -7.89219 26.5283 GPRESSAVG: 1311000 -3.0289 11.7913 15.3191 11.9715 -28.0405 -8.03724 16.8337 -8.12892 28.1086 TIMING: 1311000 CPU: 3807.63, 0.0029325/step Wall: 3807.63, 0.0029325/step, 3.00499 hours remaining, 206.648438 MB of memory in use. ENERGY: 1311000 733.9144 2069.8149 1951.9764 118.8417 -206148.6100 17704.7142 0.0000 0.0000 34173.8032 -149395.5453 298.4483 -183569.3485 -149304.9740 298.6338 -9.0868 18.3798 557824.3661 -0.9708 -0.9869 PRESSURE: 1311200 140.373 86.8882 113.263 86.888 -105.752 -18.4176 113.262 -18.418 2.90257 GPRESSURE: 1311200 116.177 -0.117248 64.6062 188.35 -6.42286 -79.7855 97.0199 33.1275 18.8628 PRESSAVG: 1311200 7.53733 2.87396 9.39803 2.874 -1.00177 -1.12118 9.39802 -1.12132 -10.7334 GPRESSAVG: 1311200 6.77946 4.01704 10.9272 2.38315 0.292928 -1.77602 6.7101 -0.560913 -11.5155 TIMING: 1311200 CPU: 3808.21, 0.00290508/step Wall: 3808.21, 0.00290508/step, 2.97674 hours remaining, 206.648438 MB of memory in use. ENERGY: 1311200 721.6926 2060.6968 1989.6440 127.5949 -206289.7864 17703.0379 0.0000 0.0000 34234.9870 -149452.1332 298.9827 -183687.1202 -149354.1208 298.5062 12.5081 42.8723 557112.4350 -1.3993 -1.4810 PRESSURE: 1311400 -203.631 14.1283 -100.255 14.127 -196.108 122.577 -100.254 122.578 -362.046 GPRESSURE: 1311400 -206.554 164.501 -30.7932 -90.6749 -129.211 101.767 -128.761 80.1992 -327.578 PRESSAVG: 1311400 21.7511 44.7066 20.9114 44.7066 -15.4451 48.0675 20.9113 48.0674 -43.1913 GPRESSAVG: 1311400 21.8145 46.0246 21.9799 43.1126 -15.6322 47.4244 23.63 48.5409 -43.5561 TIMING: 1311400 CPU: 3808.8, 0.00292658/step Wall: 3808.8, 0.00292658/step, 2.9986 hours remaining, 206.648438 MB of memory in use. ENERGY: 1311400 754.8851 2088.8662 1978.6541 105.1184 -205942.0489 17503.3497 0.0000 0.0000 34011.5939 -149499.5815 297.0317 -183511.1753 -149409.5564 299.0377 -253.9285 -221.1141 557239.8858 -12.2951 -12.4579 PRESSURE: 1311600 -153.995 51.3695 -14.5219 51.3678 67.4265 -79.2606 -14.5219 -79.2601 -18.0669 GPRESSURE: 1311600 -80.0946 -22.1287 90.6722 77.8516 73.942 -6.14134 -88.5166 -68.7229 -8.24117 PRESSAVG: 1311600 -22.86 -21.1089 -6.54937 -21.109 -27.4957 1.28456 -6.54939 1.28465 26.1643 GPRESSAVG: 1311600 -22.4869 -23.1513 -5.42835 -19.0915 -28.3358 2.17876 -8.99088 2.37881 25.9709 TIMING: 1311600 CPU: 3809.39, 0.00293555/step Wall: 3809.39, 0.00293555/step, 3.00764 hours remaining, 206.648438 MB of memory in use. ENERGY: 1311600 771.4167 2132.6068 1964.3008 127.5335 -206601.1311 17924.3709 0.0000 0.0000 34030.6185 -149650.2838 297.1979 -183680.9024 -149559.3905 298.6431 -34.8783 -4.7979 555074.3646 -8.0638 -8.2839 PRESSURE: 1311800 174.956 19.1276 -11.8248 19.1268 -70.0308 207.043 -11.8247 207.044 115.205 GPRESSURE: 1311800 221.293 19.1898 -105.196 43.5253 -9.75126 160.481 128.326 202.875 94.8029 PRESSAVG: 1311800 18.2469 -27.45 57.8243 -27.45 1.98061 38.1478 57.8244 38.1477 19.401 GPRESSAVG: 1311800 18.6615 -27.3394 55.547 -27.9779 1.5616 37.773 60.1527 36.1403 19.5191 TIMING: 1311800 CPU: 3809.97, 0.00290717/step Wall: 3809.97, 0.00290717/step, 2.9784 hours remaining, 206.648438 MB of memory in use. ENERGY: 1311800 729.2803 2100.9937 1981.3783 122.5469 -206648.3328 17895.4200 0.0000 0.0000 34134.1117 -149684.6019 298.1017 -183818.7136 -149592.4338 298.3901 73.3769 102.1149 555357.7836 13.2095 13.2474 PRESSURE: 1312000 -128.452 -69.6366 -73.0566 -69.6374 -112.55 60.5407 -73.0556 60.5409 59.944 GPRESSURE: 1312000 -88.948 -129.013 26.5109 -26.1928 -84.6805 87.6773 -211.24 83.9183 79.9025 PRESSAVG: 1312000 60.3439 -56.9843 -26.9067 -56.9844 -19.4971 -9.52406 -26.9067 -9.52412 2.64812 GPRESSAVG: 1312000 61.0291 -57.6556 -28.7938 -56.2247 -20.0041 -10.9925 -27.0882 -6.45422 2.39949 TIMING: 1312000 CPU: 3810.55, 0.00290117/step Wall: 3810.55, 0.00290117/step, 2.97209 hours remaining, 206.648438 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: 1312000 733.1176 2094.5926 1944.0664 120.8647 -206667.5930 17918.5727 0.0000 0.0000 34254.9635 -149601.4156 299.1571 -183856.3790 -149501.4098 298.0137 -60.3528 -31.2420 556339.1936 14.4983 14.4748 PRESSURE: 1312200 -78.7981 -128.056 -11.3994 -128.057 -71.0223 121.867 -11.399 121.868 28.2003 GPRESSURE: 1312200 -64.4783 -114.325 -29.01 -78.5094 39.9229 215.767 -56.5263 100.739 0.194045 PRESSAVG: 1312200 29.1521 -30.3671 -17.8968 -30.367 -52.8706 15.1925 -17.8968 15.1926 9.79851 GPRESSAVG: 1312200 28.7703 -29.2787 -16.5132 -31.6394 -53.509 17.8712 -20.3929 12.7659 11.2568 TIMING: 1312200 CPU: 3811.12, 0.00288409/step Wall: 3811.12, 0.00288409/step, 2.95443 hours remaining, 206.648438 MB of memory in use. ENERGY: 1312200 747.8023 2055.5342 1941.8269 118.7759 -206356.0499 17830.8018 0.0000 0.0000 34114.7848 -149546.5240 297.9329 -183661.3088 -149445.9336 298.3010 -40.5400 -8.1205 556860.2877 -4.6400 -4.4940 LDB: ============= START OF LOAD BALANCING ============== 3814.59 LDB: ============== END OF LOAD BALANCING =============== 3814.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3814.59 LDB: ============= START OF LOAD BALANCING ============== 3814.88 LDB: Largest compute 4820 load 0.030669 is 26.1% of average load 0.117584 LDB: Average compute 0.001735 is 1.5% of average load 0.117584 LDB: TIME 3814.88 LOAD: AVG 0.117584 MAX 0.178809 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.469 MB LDB: TIME 3814.88 LOAD: AVG 0.117584 MAX 0.178809 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: TIME 3814.88 LOAD: AVG 0.117584 MAX 0.178809 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3814.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3814.89 PRESSURE: 1312400 -83.5697 119.157 -2.09032 119.158 116.443 -130.156 -2.08979 -130.155 203.735 GPRESSURE: 1312400 -74.8222 85.695 -18.8273 83.5053 198.995 -131.838 -4.16513 -126.364 204.173 PRESSAVG: 1312400 -38.9111 70.7861 7.857 70.7863 -48.675 20.4336 7.85694 20.4336 82.1174 GPRESSAVG: 1312400 -39.2896 70.0643 7.22513 72.3023 -47.4459 19.4141 9.16578 21.129 81.4412 TIMING: 1312400 CPU: 3811.71, 0.00294059/step Wall: 3811.71, 0.00294059/step, 3.01214 hours remaining, 204.625000 MB of memory in use. ENERGY: 1312400 751.4911 2070.8789 1916.9262 114.2247 -206513.5549 18065.0091 0.0000 0.0000 34040.6121 -149554.4129 297.2851 -183595.0250 -149466.1660 298.5068 78.8696 109.4486 557486.6652 -1.8229 -1.7648 PRESSURE: 1312600 -213.793 -105.226 23.278 -105.227 -206.096 -3.12685 23.2774 -3.12535 -71.2294 GPRESSURE: 1312600 -153.715 -63.0208 -4.02149 -118.035 -181.248 24.2439 20.5576 -19.2401 -54.0286 PRESSAVG: 1312600 -57.4137 -22.0066 1.97177 -22.0065 7.10788 -27.6415 1.97169 -27.6414 36.0128 GPRESSAVG: 1312600 -56.7083 -22.333 2.27722 -22.2618 6.02415 -28.3608 2.59578 -26.9379 36.1608 TIMING: 1312600 CPU: 3812.3, 0.00291553/step Wall: 3812.3, 0.00291553/step, 2.98631 hours remaining, 204.625000 MB of memory in use. ENERGY: 1312600 741.1586 2057.7248 1941.8726 104.2402 -206466.7988 17644.0879 0.0000 0.0000 34412.4474 -149565.2673 300.5325 -183977.7147 -149468.8215 298.3516 -163.7059 -129.6640 557093.5534 -4.7643 -4.8411 PRESSURE: 1312800 170.892 0.470164 -69.532 0.470034 285.451 32.1701 -69.533 32.1708 -1.70776 GPRESSURE: 1312800 222.097 -92.6711 55.7677 24.2614 306.815 -49.7949 -114.835 75.9512 23.6186 PRESSAVG: 1312800 -78.5056 -1.87594 48.5955 -1.8759 26.8711 -12.0579 48.5955 -12.058 5.33101 GPRESSAVG: 1312800 -78.3699 -2.58655 48.8434 -0.66757 27.2387 -13.0661 49.0608 -11.4544 4.8171 TIMING: 1312800 CPU: 3812.88, 0.00291367/step Wall: 3812.88, 0.00291367/step, 2.98425 hours remaining, 204.625000 MB of memory in use. ENERGY: 1312800 740.6408 2069.5423 1945.7257 123.1884 -206785.3570 18167.6955 0.0000 0.0000 34195.7738 -149542.7905 298.6402 -183738.5643 -149454.4348 298.6849 151.5450 184.1768 555382.6884 -15.4345 -15.4380 PRESSURE: 1313000 314.644 30.3302 76.7878 30.3302 89.5453 -82.7631 76.788 -82.7628 66.9045 GPRESSURE: 1313000 368.48 60.647 133.867 42.4285 111.963 -93.987 26.2498 -77.0956 92.1045 PRESSAVG: 1313000 3.11011 3.00263 16.8193 3.00254 15.6901 -56.9448 16.8193 -56.9448 28.1422 GPRESSAVG: 1313000 2.57103 4.19022 16.8152 1.88541 16.4887 -56.4569 15.9227 -58.2723 28.4335 TIMING: 1313000 CPU: 3813.46, 0.0029122/step Wall: 3813.46, 0.0029122/step, 2.98258 hours remaining, 204.625000 MB of memory in use. ENERGY: 1313000 724.1993 2074.5934 1927.3946 114.5758 -206528.7524 18047.0939 0.0000 0.0000 34136.6320 -149504.2635 298.1237 -183640.8955 -149407.7716 298.4187 157.0314 190.8492 555689.4486 15.6475 15.8311 PRESSURE: 1313200 -58.9458 -41.2156 -121.214 -41.214 130.891 188.713 -121.215 188.714 158.388 GPRESSURE: 1313200 -4.63404 -17.4196 -155.61 10.5715 183.618 158.389 -144.602 127.632 156.954 PRESSAVG: 1313200 -6.49525 -0.466638 -31.9879 -0.466488 -2.47213 13.8349 -31.9879 13.835 43.7293 GPRESSAVG: 1313200 -6.06644 -1.04866 -31.2821 -0.429314 -3.65782 15.5878 -32.4848 13.5677 44.6778 TIMING: 1313200 CPU: 3814.04, 0.00290076/step Wall: 3814.04, 0.00290076/step, 2.9707 hours remaining, 204.625000 MB of memory in use. ENERGY: 1313200 748.4120 2063.1911 1989.5991 111.6170 -206558.0234 17941.8633 0.0000 0.0000 34267.9937 -149435.3471 299.2709 -183703.3408 -149333.6979 298.1899 76.7776 111.9794 556455.9613 11.5873 11.6512 PRESSURE: 1313400 0.775024 137.167 -23.8738 137.167 375.804 69.1429 -23.8731 69.1406 -163.394 GPRESSURE: 1313400 15.7723 169.983 39.1869 165.59 439.436 40.4148 -25.94 148.842 -147.027 PRESSAVG: 1313400 -38.8104 -3.32464 -22.5947 -3.3247 35.9583 43.0583 -22.5946 43.0583 28.7169 GPRESSAVG: 1313400 -38.9029 -4.15506 -22.6951 -3.35817 36.3603 40.6581 -22.0219 46.6551 28.9351 TIMING: 1313400 CPU: 3814.63, 0.00293057/step Wall: 3814.63, 0.00293057/step, 3.00106 hours remaining, 204.695312 MB of memory in use. ENERGY: 1313400 754.4614 2077.3605 1950.6988 125.0204 -206717.4856 18121.4009 0.0000 0.0000 34193.5237 -149495.0200 298.6205 -183688.5436 -149403.6454 298.1480 71.0617 102.7271 558088.5092 8.6216 8.7975 PRESSURE: 1313600 -0.403558 -56.2776 -50.8104 -56.2778 -63.012 -81.4602 -50.8113 -81.4613 175.352 GPRESSURE: 1313600 28.9861 -8.737 -37.9453 -7.36005 -59.1933 -120.745 12.8308 -97.7137 242.022 PRESSAVG: 1313600 -23.0489 15.6815 -33.7077 15.6815 8.98131 6.82102 -33.7076 6.8211 28.4978 GPRESSAVG: 1313600 -23.1367 16.1772 -33.4672 15.446 8.55722 8.79237 -35.7197 3.61076 28.6915 TIMING: 1313600 CPU: 3815.21, 0.00290647/step Wall: 3815.21, 0.00290647/step, 2.97622 hours remaining, 204.695312 MB of memory in use. ENERGY: 1313600 758.0901 2089.9324 1964.1288 103.0713 -206531.8081 17925.3291 0.0000 0.0000 34140.4628 -149550.7935 298.1572 -183691.2563 -149451.5849 299.1056 37.3122 70.6050 558742.7556 4.8101 4.7040 PRESSURE: 1313800 -324.463 -95.8684 -45.9695 -95.8681 -133.921 -349.448 -45.97 -349.447 -57.5287 GPRESSURE: 1313800 -349.75 -65.8722 -8.07493 -99.837 -100.393 -372.432 16.4781 -305.016 20.9417 PRESSAVG: 1313800 -89.7698 6.71974 -2.19173 6.71979 13.7433 -49.1015 -2.19183 -49.1014 67.8415 GPRESSAVG: 1313800 -88.9911 7.10909 -6.15081 7.19282 15.2405 -50.6254 0.717913 -47.4451 66.1124 TIMING: 1313800 CPU: 3815.79, 0.00289483/step Wall: 3815.79, 0.00289483/step, 2.96414 hours remaining, 204.695312 MB of memory in use. ENERGY: 1313800 748.8771 2032.2123 1975.5315 114.4458 -205866.5359 17424.2582 0.0000 0.0000 34162.0627 -149409.1483 298.3458 -183571.2110 -149312.9402 298.4967 -171.9708 -143.0671 558317.4668 -2.7283 -2.5461 PRESSURE: 1314000 -234.258 -53.6621 28.8144 -53.6621 -103.859 -104.802 28.8152 -104.802 48.7892 GPRESSURE: 1314000 -239.663 85.105 87.91 -56.9669 -34.2411 -46.1008 28.1767 -130.9 76.4649 PRESSAVG: 1314000 -95.3374 -16.8275 -45.281 -16.8275 37.5965 -8.88548 -45.2811 -8.88555 -7.81881 GPRESSAVG: 1314000 -96.1032 -18.3393 -40.9649 -16.1474 37.3029 -8.9553 -45.7893 -8.82453 -6.99577 TIMING: 1314000 CPU: 3816.37, 0.00289773/step Wall: 3816.37, 0.00289773/step, 2.96695 hours remaining, 204.695312 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: 1314000 762.1393 2081.6530 1940.2496 115.1231 -206143.9166 17557.0218 0.0000 0.0000 34322.0909 -149365.6389 299.7434 -183687.7299 -149265.3829 299.2212 -96.4427 -65.8130 555684.3905 -21.8532 -21.9320 PRESSURE: 1314200 -155.313 66.7249 -185.457 66.7259 -34.762 -45.073 -185.456 -45.0736 81.7849 GPRESSURE: 1314200 -121.514 106.835 -258.33 18.8911 4.46825 1.50782 -162.129 -72.9726 105.629 PRESSAVG: 1314200 -57.6038 3.05045 0.192536 3.05054 21.5261 -5.19201 0.192619 -5.19192 56.3059 GPRESSAVG: 1314200 -58.4714 7.28116 -2.98496 1.14619 22.5439 -5.32846 0.00480662 -5.99701 56.257 TIMING: 1314200 CPU: 3816.94, 0.00288704/step Wall: 3816.94, 0.00288704/step, 2.95585 hours remaining, 204.695312 MB of memory in use. ENERGY: 1314200 741.3099 2042.8538 1959.3360 99.6524 -206390.8800 17759.3744 0.0000 0.0000 34432.0459 -149356.3076 300.7036 -183788.3535 -149263.4414 298.7358 -36.0968 -3.8057 557520.0901 6.7428 6.7765 PRESSURE: 1314400 -300.348 -3.40181 -40.0496 -3.40248 -236.491 19.3787 -40.0503 19.3756 -123.717 GPRESSURE: 1314400 -218.14 20.139 -13.5059 -28.0643 -209.609 -84.8521 -74.4767 84.8828 -138.918 PRESSAVG: 1314400 -21.3691 -12.955 -23.7116 -12.9551 34.6845 52.7609 -23.7117 52.7609 11.1905 GPRESSAVG: 1314400 -20.1905 -15.62 -20.7391 -11.9332 34.9235 53.251 -25.2124 53.6282 10.3395 TIMING: 1314400 CPU: 3817.52, 0.00289286/step Wall: 3817.52, 0.00289286/step, 2.96165 hours remaining, 204.695312 MB of memory in use. ENERGY: 1314400 750.8635 2067.6649 1972.0056 121.2399 -205889.6423 17463.0081 0.0000 0.0000 34233.8509 -149281.0094 298.9727 -183514.8603 -149184.3287 299.4773 -220.1851 -188.8889 557322.5441 8.1686 8.3575 PRESSURE: 1314600 252.766 -34.5212 166.632 -34.5212 77.3147 -25.0691 166.63 -25.0691 353.238 GPRESSURE: 1314600 307.826 69.9544 152.565 -144.549 83.3758 -131.655 137.088 54.8598 371.05 PRESSAVG: 1314600 16.5758 -15.3976 -11.0275 -15.3976 -74.9082 0.562859 -11.0275 0.56282 91.8137 GPRESSAVG: 1314600 16.7801 -13.6583 -13.7503 -16.0947 -75.6474 -0.886882 -9.91403 1.9388 92.7301 TIMING: 1314600 CPU: 3818.1, 0.0029/step Wall: 3818.1, 0.0029/step, 2.9688 hours remaining, 204.695312 MB of memory in use. ENERGY: 1314600 728.5779 2054.0466 1929.2564 109.0540 -206447.5340 18120.6652 0.0000 0.0000 34431.4426 -149074.4913 300.6984 -183505.9339 -148970.8815 299.5009 227.7731 254.0841 556252.6170 11.1604 11.2876 PRESSURE: 1314800 132.279 114.29 -200.527 114.291 -132.66 -13.7933 -200.528 -13.7948 186.744 GPRESSURE: 1314800 210.749 126.415 -211.474 81.0694 -77.5606 -35.6777 -102.934 3.78332 145.651 PRESSAVG: 1314800 16.0599 -1.0063 -10.1209 -1.00633 -24.6976 -11.7402 -10.1209 -11.7404 14.689 GPRESSAVG: 1314800 16.6147 -2.49727 -9.66042 -1.15359 -25.2762 -11.1239 -10.238 -13.1753 14.009 TIMING: 1314800 CPU: 3818.68, 0.00290903/step Wall: 3818.68, 0.00290903/step, 2.97787 hours remaining, 204.695312 MB of memory in use. ENERGY: 1314800 759.5145 2112.2390 1910.3081 105.6377 -206111.2462 17779.2950 0.0000 0.0000 34243.7678 -149200.4840 299.0593 -183444.2519 -149107.2019 300.3025 62.1207 92.9463 556316.0391 2.0171 1.7825 PRESSURE: 1315000 48.8139 22.6758 152.525 22.6773 -174.392 -100.405 152.525 -100.405 39.2407 GPRESSURE: 1315000 43.3981 -59.3193 184.991 43.4705 -133.958 -74.0513 120.145 -60.8497 87.6513 PRESSAVG: 1315000 12.9644 -25.1555 -5.78116 -25.1554 -10.96 -6.23549 -5.78122 -6.23536 23.2993 GPRESSAVG: 1315000 12.7133 -25.3015 -5.49104 -25.8534 -9.8581 -5.59148 -5.51372 -7.5551 22.9297 TIMING: 1315000 CPU: 3819.27, 0.00291609/step Wall: 3819.27, 0.00291609/step, 2.98494 hours remaining, 204.695312 MB of memory in use. ENERGY: 1315000 721.6004 2114.2672 1955.3079 115.0501 -206069.6209 17694.4344 0.0000 0.0000 34237.9613 -149230.9997 299.0086 -183468.9609 -149138.2489 299.6446 -28.7791 -0.9696 557130.9715 8.4345 8.5950 PRESSURE: 1315200 -206.491 172.248 -0.192708 172.248 -87.1659 -182.637 -0.193269 -182.637 -10.6887 GPRESSURE: 1315200 -134.431 119.887 17.6873 121.889 -64.4773 -186.47 -5.64846 -227.404 -7.66022 PRESSAVG: 1315200 25.64 42.0279 12.8146 42.0278 -14.9684 21.7696 12.8146 21.7696 -28.0552 GPRESSAVG: 1315200 26.011 41.248 12.3795 43.3636 -15.4423 22.2839 12.0331 23.5221 -28.4428 TIMING: 1315200 CPU: 3819.85, 0.00291561/step Wall: 3819.85, 0.00291561/step, 2.98429 hours remaining, 204.695312 MB of memory in use. ENERGY: 1315200 720.2239 2053.7730 1937.3604 105.9000 -205951.3834 17749.3319 0.0000 0.0000 34336.2938 -149048.5004 299.8674 -183384.7942 -148946.0139 299.7091 -101.4484 -68.8562 556329.7445 -5.7946 -5.9581 PRESSURE: 1315400 9.3969 30.9728 -70.9307 30.972 199.514 -80.6435 -70.9317 -80.6452 -210.359 GPRESSURE: 1315400 27.1679 56.8614 -114.613 75.9706 232.791 -69.6954 -22.6714 -69.5555 -162.919 PRESSAVG: 1315400 21.0714 -5.4232 -30.4182 -5.42319 -9.44659 -26.8058 -30.4182 -26.8058 -20.3773 GPRESSAVG: 1315400 20.5518 -6.5627 -29.6025 -4.95119 -8.60274 -26.5348 -27.6733 -26.5924 -20.7666 TIMING: 1315400 CPU: 3820.43, 0.00291084/step Wall: 3820.43, 0.00291084/step, 2.97924 hours remaining, 204.695312 MB of memory in use. ENERGY: 1315400 739.8470 2067.5408 1946.5695 108.9124 -205873.4954 17806.9806 0.0000 0.0000 34334.1735 -148869.4715 299.8489 -183203.6450 -148766.3996 299.7843 -0.4825 32.3466 558667.6907 -2.9175 -2.9392 PRESSURE: 1315600 -44.8392 -25.9558 89.8276 -25.9552 91.8967 53.2345 89.8287 53.2329 -191.239 GPRESSURE: 1315600 0.454315 -11.0712 88.1966 -39.8368 102.471 75.0892 202.578 23.9309 -150.845 PRESSAVG: 1315600 62.2132 -50.2751 -21.2125 -50.2751 19.123 7.99595 -21.2125 7.99594 -25.0021 GPRESSAVG: 1315600 63.0906 -47.3205 -20.294 -50.7351 17.7031 6.41933 -23.4575 8.02498 -24.9902 TIMING: 1315600 CPU: 3821.02, 0.00293625/step Wall: 3821.02, 0.00293625/step, 3.00509 hours remaining, 204.695312 MB of memory in use. ENERGY: 1315600 722.0854 2102.8450 1950.1918 134.6659 -205921.0084 17866.3888 0.0000 0.0000 34343.2684 -148801.5632 299.9283 -183144.8315 -148702.1068 299.9907 -48.0606 -15.9730 559935.5384 18.7780 18.6012 PRESSURE: 1315800 -47.4204 61.16 -47.4455 61.1588 -185.921 98.5527 -47.4436 98.5533 63.6458 GPRESSURE: 1315800 -64.6906 -31.2568 0.37696 -61.7047 -147.597 145.942 -64.1803 89.364 143.968 PRESSAVG: 1315800 41.9389 -35.4394 -26.4858 -35.4394 38.3512 17.0996 -26.4858 17.0997 -69.3973 GPRESSAVG: 1315800 40.2473 -36.8496 -26.3791 -36.2557 39.2712 16.9686 -26.9264 16.241 -68.4701 TIMING: 1315800 CPU: 3821.61, 0.00294271/step Wall: 3821.61, 0.00294271/step, 3.01154 hours remaining, 204.695312 MB of memory in use. ENERGY: 1315800 749.1279 2110.0370 1943.4573 108.3375 -205682.7778 17613.5466 0.0000 0.0000 34462.7983 -148695.4732 300.9722 -183158.2714 -148600.7839 300.7658 -56.5652 -22.7733 559607.9326 3.6310 3.6828 PRESSURE: 1316000 -91.4755 133.367 -4.29571 133.368 -188.362 -189.915 -4.29502 -189.915 221.983 GPRESSURE: 1316000 -14.0645 84.1259 -33.1286 120.928 -195.978 -243.499 6.05137 -188.312 243.03 PRESSAVG: 1316000 -2.57341 16.4454 -3.20299 16.4454 -22.3051 -43.1827 -3.20304 -43.1828 -41.8746 GPRESSAVG: 1316000 -1.23967 16.3611 -1.62251 17.0869 -24.5159 -40.5189 -3.83623 -45.1182 -41.3229 TIMING: 1316000 CPU: 3822.2, 0.00294373/step Wall: 3822.2, 0.00294373/step, 3.01242 hours remaining, 204.695312 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: 1316000 733.9309 2133.3591 1955.5984 121.2743 -205905.8089 17622.7222 0.0000 0.0000 34690.2494 -148648.6744 302.9586 -183338.9239 -148552.2761 300.7871 -19.2850 10.9959 558249.1003 -22.2510 -22.3595 PRESSURE: 1316200 -183.864 108.16 -0.934865 108.159 3.47897 -20.7559 -0.935849 -20.7563 131.678 GPRESSURE: 1316200 -145.775 110.292 -82.3218 88.5024 36.6824 43.8977 8.61639 4.50951 152.191 PRESSAVG: 1316200 25.9226 25.7949 -22.8179 25.7949 -24.9621 -18.0214 -22.8179 -18.0214 5.967 GPRESSAVG: 1316200 26.2988 26.6642 -21.4669 25.1589 -23.8915 -18.0331 -23.0425 -17.8195 4.9247 TIMING: 1316200 CPU: 3822.78, 0.00292777/step Wall: 3822.78, 0.00292777/step, 2.99593 hours remaining, 204.695312 MB of memory in use. ENERGY: 1316200 755.4209 2170.6063 1951.3709 103.8494 -205889.0566 17859.5677 0.0000 0.0000 34179.6047 -148868.6367 298.4990 -183048.2414 -148774.4164 300.7092 -16.2358 14.3663 557225.9283 2.3092 2.4440 LDB: ============= START OF LOAD BALANCING ============== 3826.25 LDB: ============== END OF LOAD BALANCING =============== 3826.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3826.25 LDB: ============= START OF LOAD BALANCING ============== 3826.54 LDB: Largest compute 4820 load 0.029631 is 25.2% of average load 0.117622 LDB: Average compute 0.001731 is 1.5% of average load 0.117622 LDB: TIME 3826.54 LOAD: AVG 0.117622 MAX 0.178553 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.133 MB LDB: TIME 3826.55 LOAD: AVG 0.117622 MAX 0.178553 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.141 MB LDB: TIME 3826.55 LOAD: AVG 0.117622 MAX 0.178553 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3826.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3826.55 PRESSURE: 1316400 -37.343 -55.9494 -5.12196 -55.9497 -253.854 47.129 -5.12233 47.1294 272.677 GPRESSURE: 1316400 42.1921 24.26 10.0498 -86.2412 -209.313 50.4447 -17.6727 20.9222 239.148 PRESSAVG: 1316400 43.535 -16.7443 -45.2552 -16.7444 2.43315 -47.8689 -45.2552 -47.8689 31.0653 GPRESSAVG: 1316400 43.4513 -15.9911 -47.784 -17.8866 2.1517 -49.0674 -45.3127 -46.3793 31.435 TIMING: 1316400 CPU: 3823.38, 0.00296153/step Wall: 3823.38, 0.00296153/step, 3.0303 hours remaining, 204.054688 MB of memory in use. ENERGY: 1316400 750.4108 2096.0036 1947.3083 115.4930 -205995.2105 17754.2233 0.0000 0.0000 34460.4211 -148871.3504 300.9514 -183331.7714 -148768.3547 300.9095 -6.1734 24.0089 558988.6171 25.6778 25.6793 PRESSURE: 1316600 41.8616 -86.1198 56.8207 -86.1198 204.893 3.27124 56.8206 3.27042 88.1332 GPRESSURE: 1316600 23.6659 -99.3552 -6.0513 -72.9235 256.542 6.04984 24.8546 -106.092 154.383 PRESSAVG: 1316600 18.4516 -32.8791 -44.7307 -32.8792 -9.72896 6.81801 -44.7308 6.81808 -64.1297 GPRESSAVG: 1316600 17.7882 -35.9626 -43.2141 -31.4037 -8.94529 8.08009 -43.3408 3.66126 -63.8967 TIMING: 1316600 CPU: 3823.96, 0.00291613/step Wall: 3823.96, 0.00291613/step, 2.98369 hours remaining, 204.164062 MB of memory in use. ENERGY: 1316600 737.1703 2157.6524 1964.3679 108.2861 -206360.4934 17977.0800 0.0000 0.0000 34395.7625 -149020.1742 300.3867 -183415.9367 -148920.1406 300.0631 111.6293 144.8638 556880.3906 -18.4690 -18.3513 PRESSURE: 1316800 77.1507 -84.5363 -37.4728 -84.5366 111.038 -110.537 -37.4718 -110.538 5.95036 GPRESSURE: 1316800 67.454 -40.9941 -103.551 -46.506 173.997 -127.495 34.7172 -56.0935 47.8061 PRESSAVG: 1316800 40.8432 0.889684 -4.94932 0.889841 30.2235 -5.69346 -4.9493 -5.6934 -27.6081 GPRESSAVG: 1316800 40.7305 2.0393 -5.35861 -0.0390309 29.3141 -6.07928 -6.36879 -3.40671 -26.4931 TIMING: 1316800 CPU: 3824.54, 0.00289773/step Wall: 3824.54, 0.00289773/step, 2.9647 hours remaining, 204.164062 MB of memory in use. ENERGY: 1316800 722.0411 2083.7459 1949.7129 117.5361 -206223.9993 17882.7982 0.0000 0.0000 34353.2408 -149114.9242 300.0154 -183468.1650 -149009.3908 299.6837 64.7131 96.4191 556370.6846 14.4862 14.5172 PRESSURE: 1317000 161.359 -4.58397 10.7178 -4.5856 -173.096 0.337788 10.7181 0.338154 -208.563 GPRESSURE: 1317000 154.819 -7.33926 -60.524 -27.8493 -102.594 34.7063 85.6937 -48.0683 -188.476 PRESSAVG: 1317000 -15.668 -1.83469 -15.2807 -1.83469 25.7631 39.9195 -15.2805 39.9194 31.826 GPRESSAVG: 1317000 -15.3972 0.891512 -15.39 -3.37153 26.4638 40.3169 -15.2172 40.1665 30.8104 TIMING: 1317000 CPU: 3825.12, 0.00289791/step Wall: 3825.12, 0.00289791/step, 2.96472 hours remaining, 204.164062 MB of memory in use. ENERGY: 1317000 762.0025 2099.1257 1931.8607 105.8247 -205875.0515 17474.2722 0.0000 0.0000 34332.9360 -149169.0297 299.8381 -183501.9657 -149075.5533 299.6406 -73.4335 -45.4169 556978.0525 13.9737 13.9590 PRESSURE: 1317200 -132.911 99.6383 109.229 99.6374 -104.466 -105.553 109.229 -105.553 -187.435 GPRESSURE: 1317200 -88.97 115.226 144.899 149.512 -87.2607 -99.8803 96.0153 -176.726 -150.878 PRESSAVG: 1317200 76.245 -16.762 -16.2347 -16.762 -88.9737 -9.17321 -16.2347 -9.1733 28.6331 GPRESSAVG: 1317200 76.3161 -17.6342 -17.5469 -14.9147 -88.4568 -10.5505 -12.653 -7.89955 28.85 TIMING: 1317200 CPU: 3825.7, 0.00290318/step Wall: 3825.7, 0.00290318/step, 2.96995 hours remaining, 204.164062 MB of memory in use. ENERGY: 1317200 725.8172 2072.2029 1984.4214 125.2710 -206124.0384 17580.8665 0.0000 0.0000 34368.9350 -149266.5245 300.1525 -183635.4594 -149161.7316 299.3445 -141.6041 -109.0362 557142.3301 5.3015 5.5698 PRESSURE: 1317400 1.23602 245.55 -255.054 245.55 -12.3122 -153.484 -255.055 -153.487 29.2462 GPRESSURE: 1317400 26.2347 141.817 -262.914 328.847 -26.8114 -39.4131 -248.962 -129.713 114.399 PRESSAVG: 1317400 48.6121 36.2595 2.90107 36.2595 -48.4303 -17.4786 2.90117 -17.4787 -21.354 GPRESSAVG: 1317400 48.332 35.6981 4.08702 36.9945 -49.8515 -15.7264 0.104675 -18.0525 -19.491 TIMING: 1317400 CPU: 3826.28, 0.00290297/step Wall: 3826.28, 0.00290297/step, 2.96957 hours remaining, 204.164062 MB of memory in use. ENERGY: 1317400 781.0411 2120.7802 1950.8077 107.9984 -206094.8188 17761.3911 0.0000 0.0000 34212.4565 -149160.3440 298.7859 -183372.8005 -149066.4965 298.5855 6.0567 37.9409 556537.5250 -7.0574 -7.0035 PRESSURE: 1317600 -307.34 42.1357 48.2368 42.1357 -7.73133 153.866 48.2367 153.866 -63.8417 GPRESSURE: 1317600 -275.366 77.8517 158.517 4.06329 46.6559 213.934 45.4841 137.175 -56.4179 PRESSAVG: 1317600 -31.4327 35.4589 27.8801 35.4588 9.94005 -9.94937 27.8802 -9.94946 40.4525 GPRESSAVG: 1317600 -31.0598 34.6827 26.2783 35.0785 10.6842 -9.84309 28.1905 -8.63216 39.2586 TIMING: 1317600 CPU: 3826.86, 0.0029223/step Wall: 3826.86, 0.0029223/step, 2.98919 hours remaining, 204.164062 MB of memory in use. ENERGY: 1317600 726.2604 2086.3393 1970.0398 108.1091 -206080.6815 17595.3510 0.0000 0.0000 34382.6676 -149211.9143 300.2724 -183594.5820 -149114.3357 299.8435 -126.3042 -95.0426 558225.9290 6.3199 6.2943 PRESSURE: 1317800 -131.616 -70.3411 18.6977 -70.3409 -104.29 -26.7708 18.6974 -26.7699 -190.933 GPRESSURE: 1317800 -146.06 -155.874 48.8222 -81.209 -47.5266 -22.5863 -31.3149 -82.2756 -140.686 PRESSAVG: 1317800 -64.1572 22.8614 25.0043 22.8614 16.3319 -26.5235 25.0044 -26.5234 30.7149 GPRESSAVG: 1317800 -64.0532 23.7846 26.4953 19.8198 16.7142 -27.6738 25.234 -29.3147 30.8434 TIMING: 1317800 CPU: 3827.46, 0.00296836/step Wall: 3827.46, 0.00296836/step, 3.03614 hours remaining, 204.164062 MB of memory in use. ENERGY: 1317800 754.1121 2062.0470 1971.7317 115.2240 -205937.9505 17505.9074 0.0000 0.0000 34208.9289 -149319.9993 298.7551 -183528.9282 -149223.3480 299.0962 -142.2796 -111.4240 555999.2862 -5.7035 -5.4985 PRESSURE: 1318000 -228.592 -127.898 56.934 -127.897 -86.1761 89.5562 56.9352 89.5552 -71.8902 GPRESSURE: 1318000 -104.011 -132.426 86.0382 -147.437 -123.682 8.08607 81.9867 114.522 -63.898 PRESSAVG: 1318000 7.58543 -44.8151 10.6744 -44.8152 11.3121 -69.5327 10.6743 -69.5328 -22.8532 GPRESSAVG: 1318000 6.57317 -45.4271 10.9674 -44.2305 11.5077 -69.8118 11.4214 -68.8393 -22.2413 TIMING: 1318000 CPU: 3828.05, 0.00294973/step Wall: 3828.05, 0.00294973/step, 3.01692 hours remaining, 204.164062 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: 1318000 788.6399 2128.7651 1944.9410 98.1030 -205782.9811 17503.2545 0.0000 0.0000 34200.6280 -149118.6497 298.6826 -183319.2776 -149020.2325 299.1706 -128.8860 -97.1970 556489.0269 -1.3186 -1.3868 PRESSURE: 1318200 -58.3877 58.4157 -77.7594 58.4153 -181.338 36.0513 -77.7584 36.0519 9.32809 GPRESSURE: 1318200 13.4362 12.5136 -143.437 49.6744 -186.335 82.3955 -27.4504 104.729 31.7713 PRESSAVG: 1318200 -0.614874 -1.41419 -0.0837688 -1.4142 22.4344 45.1417 -0.0837937 45.1418 17.0285 GPRESSAVG: 1318200 1.86048 -2.429 -0.180724 0.746523 21.5112 46.1544 -1.16227 45.5543 15.5446 TIMING: 1318200 CPU: 3828.63, 0.00292905/step Wall: 3828.63, 0.00292905/step, 2.9956 hours remaining, 204.164062 MB of memory in use. ENERGY: 1318200 725.1965 2089.8072 1958.2783 111.3901 -206236.3345 17817.8538 0.0000 0.0000 34209.2679 -149324.5406 298.7580 -183533.8085 -149229.8788 298.5105 -76.7992 -47.0425 557972.4866 12.9493 12.9721 PRESSURE: 1318400 -75.7215 165.536 128.227 165.535 7.75919 107.031 128.226 107.031 -191.505 GPRESSURE: 1318400 -50.2398 213.056 55.3326 123.357 73.948 82.3476 124.377 87.997 -181.216 PRESSAVG: 1318400 -78.5449 23.0264 10.9378 23.0264 47.6433 -2.85447 10.9377 -2.85457 13.9084 GPRESSAVG: 1318400 -79.9121 23.384 12.2037 23.8438 47.7724 -4.42419 9.42442 -2.09506 15.4139 TIMING: 1318400 CPU: 3829.22, 0.00293605/step Wall: 3829.22, 0.00293605/step, 3.0026 hours remaining, 204.164062 MB of memory in use. ENERGY: 1318400 742.0399 2125.5254 1950.6997 118.1907 -206046.4725 17684.6198 0.0000 0.0000 34193.0554 -149232.3416 298.6165 -183425.3970 -149133.7539 298.8954 -86.4892 -52.5027 558341.3757 -5.6644 -5.5753 PRESSURE: 1318600 162.892 126.62 75.2912 126.622 165.026 -18.6252 75.2917 -18.6253 308.058 GPRESSURE: 1318600 151.11 88.8703 158.006 120.492 261.051 2.47636 74.467 -124.304 323.564 PRESSAVG: 1318600 -47.937 47.3559 34.1461 47.3559 21.661 -5.3281 34.1461 -5.32811 45.5855 GPRESSAVG: 1318600 -48.2264 47.2415 31.5997 47.8367 21.3404 -4.40427 37.6967 -7.2994 46.2253 TIMING: 1318600 CPU: 3829.81, 0.00293541/step Wall: 3829.81, 0.00293541/step, 3.00178 hours remaining, 204.164062 MB of memory in use. ENERGY: 1318600 802.1462 2057.1738 1972.2340 112.6425 -206927.1485 18185.1529 0.0000 0.0000 34503.5914 -149294.2077 301.3284 -183797.7991 -149199.9457 299.8810 211.9922 245.2415 555405.0818 6.4365 6.4464 PRESSURE: 1318800 121.919 -101.494 -49.3808 -101.494 32.7045 -112.575 -49.3802 -112.575 20.48 GPRESSURE: 1318800 150.71 -89.6372 -52.6896 -109.275 89.7771 -161.503 -79.6455 1.82752 18.5321 PRESSAVG: 1318800 -49.4003 0.666077 34.0195 0.666092 50.1649 -13.4017 34.0196 -13.4018 23.2901 GPRESSAVG: 1318800 -49.7903 2.5345 36.1865 -2.65493 50.4876 -14.4035 32.5251 -11.8807 23.468 TIMING: 1318800 CPU: 3830.39, 0.0029288/step Wall: 3830.39, 0.0029288/step, 2.99486 hours remaining, 204.164062 MB of memory in use. ENERGY: 1318800 771.1883 2109.5272 1971.2081 105.5560 -206222.0956 17863.0151 0.0000 0.0000 34284.1516 -149117.4493 299.4120 -183401.6010 -149030.6053 299.7138 58.3678 86.3397 557179.0772 8.0182 8.0551 PRESSURE: 1319000 327.231 262.636 -61.2663 262.635 -51.4972 128.871 -61.2663 128.869 -63.7425 GPRESSURE: 1319000 303.279 236.716 11.3099 318.421 50.4975 96.5845 -147.718 157.153 -60.2002 PRESSAVG: 1319000 -22.1191 -10.8672 3.14987 -10.8673 -28.7364 2.47681 3.14992 2.47687 68.2993 GPRESSAVG: 1319000 -21.6393 -10.4212 1.77053 -10.3185 -27.7862 4.21452 3.97929 3.35997 67.1157 TIMING: 1319000 CPU: 3830.98, 0.00292777/step Wall: 3830.98, 0.00292777/step, 2.99365 hours remaining, 204.164062 MB of memory in use. ENERGY: 1319000 741.2629 2071.2236 1975.6294 122.1201 -206140.1521 17805.6737 0.0000 0.0000 34381.4703 -149042.7722 300.2619 -183424.2424 -148949.3667 299.7618 70.6638 97.8589 557663.1430 5.8146 5.8968 PRESSURE: 1319200 -201.028 84.5831 -19.0617 84.5834 -152.172 49.8098 -19.063 49.8083 13.4948 GPRESSURE: 1319200 -165.316 150.338 -9.35221 56.5057 -96.4237 70.771 -20.1273 120.542 -2.31966 PRESSAVG: 1319200 -52.1324 3.22346 -98.5209 3.22348 23.6568 34.2676 -98.5209 34.2676 54.4894 GPRESSAVG: 1319200 -51.4036 2.86678 -98.3891 4.41181 22.8854 32.5631 -98.5583 34.6754 54.5182 TIMING: 1319200 CPU: 3831.56, 0.00289408/step Wall: 3831.56, 0.00289408/step, 2.95904 hours remaining, 204.164062 MB of memory in use. ENERGY: 1319200 751.4222 2136.4998 1951.0580 127.4773 -205784.7950 17506.0232 0.0000 0.0000 34235.7080 -149076.6065 298.9890 -183312.3145 -148982.1322 299.8027 -113.2351 -88.0197 556579.6813 8.6713 8.6667 PRESSURE: 1319400 -34.2588 -132.26 93.5374 -132.26 -88.5412 -73.9362 93.5377 -73.9367 41.6516 GPRESSURE: 1319400 14.7217 -139.483 54.1543 -95.0183 -51.3269 45.4491 128.774 -98.454 52.8632 PRESSAVG: 1319400 -27.6889 -18.8639 -36.6117 -18.8637 38.177 47.2926 -36.6117 47.2926 49.6722 GPRESSAVG: 1319400 -27.9056 -18.5885 -35.8389 -18.7933 37.845 49.4016 -38.5292 46.9839 50.3895 TIMING: 1319400 CPU: 3832.14, 0.00290093/step Wall: 3832.14, 0.00290093/step, 2.96588 hours remaining, 204.164062 MB of memory in use. ENERGY: 1319400 735.6644 2138.1025 1960.4592 115.1877 -205911.1750 17748.6358 0.0000 0.0000 34168.0394 -149045.0860 298.3980 -183213.1254 -148948.4299 299.3588 -27.0495 5.4193 557666.7787 20.0534 20.1097 PRESSURE: 1319600 -131.587 -38.7162 43.201 -38.7167 62.7717 -75.34 43.1996 -75.3386 -97.0862 GPRESSURE: 1319600 -121.223 48.5908 96.9276 -47.3788 101.302 -63.6963 -16.137 -52.4272 -58.0321 PRESSAVG: 1319600 -12.4705 -1.26855 -2.79434 -1.26853 26.1718 27.4996 -2.79431 27.4997 -37.2068 GPRESSAVG: 1319600 -13.0301 -1.89603 -2.21293 -1.50529 26.5847 27.8545 -1.22113 26.2904 -37.1533 TIMING: 1319600 CPU: 3832.72, 0.00289952/step Wall: 3832.72, 0.00289952/step, 2.96427 hours remaining, 204.164062 MB of memory in use. ENERGY: 1319600 693.0141 2070.7310 1955.6508 111.0288 -205990.2185 17704.3697 0.0000 0.0000 34425.3336 -149030.0906 300.6450 -183455.4242 -148930.4222 299.3201 -55.3006 -25.9845 558836.4095 -7.8352 -7.8663 PRESSURE: 1319800 9.32748 -97.1221 -22.2668 -97.1217 -108.864 -65.0741 -22.266 -65.0756 -77.4329 GPRESSURE: 1319800 59.9628 -15.3333 18.014 -186.823 -90.6348 -155.229 -58.2761 -85.0197 -62.2909 PRESSAVG: 1319800 -4.98554 17.4687 -2.73033 17.4687 54.294 -34.9241 -2.73034 -34.9242 -45.9639 GPRESSAVG: 1319800 -5.69287 17.2926 -3.80233 18.8645 54.3052 -37.7366 -3.04048 -34.513 -45.3687 TIMING: 1319800 CPU: 3833.3, 0.00292186/step Wall: 3833.3, 0.00292186/step, 2.98696 hours remaining, 204.164062 MB of memory in use. ENERGY: 1319800 722.4445 2028.5669 1949.9952 113.0634 -205874.6030 17678.7803 0.0000 0.0000 34249.0929 -149132.6598 299.1058 -183381.7527 -149037.3795 299.6996 -58.9899 -30.9876 559027.9991 1.1149 1.0812 PRESSURE: 1320000 -100.024 -143.124 -10.1351 -143.124 -32.8046 44.4008 -10.1357 44.4016 -124.383 GPRESSURE: 1320000 -25.6728 -176.766 -100.487 -155.994 40.2662 76.0665 38.316 -17.8228 -174.738 PRESSAVG: 1320000 -1.21984 -24.0592 15.7433 -24.0594 -30.612 -14.7419 15.7432 -14.7419 1.85097 GPRESSAVG: 1320000 0.78111 -23.1738 14.558 -25.6008 -32.5537 -14.2857 16.5142 -12.0076 1.76434 TIMING: 1320000 CPU: 3833.88, 0.00289789/step Wall: 3833.88, 0.0028979/step, 2.96229 hours remaining, 204.164062 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: 1320000 743.2973 2071.2983 1960.2117 113.9233 -206085.0461 17778.1839 0.0000 0.0000 34223.0079 -149195.1237 298.8780 -183418.1316 -149098.2853 299.0608 -85.7370 -53.3815 557685.6572 -9.9936 -10.0028 PRESSURE: 1320200 -37.9732 -33.7641 102.823 -33.7646 -127.45 -63.2479 102.822 -63.248 71.1329 GPRESSURE: 1320200 24.0501 -2.11561 100.843 -52.2035 -96.755 26.8475 133.634 -112.621 89.3527 PRESSAVG: 1320200 45.4868 6.85509 7.75579 6.85503 -92.2664 19.905 7.75583 19.9048 45.5977 GPRESSAVG: 1320200 44.6505 6.26518 8.86686 5.58725 -90.8999 21.2336 5.64341 18.135 45.2508 TIMING: 1320200 CPU: 3834.46, 0.00290138/step Wall: 3834.46, 0.00290138/step, 2.9657 hours remaining, 204.164062 MB of memory in use. ENERGY: 1320200 732.8592 2106.6883 1953.4557 109.2669 -206198.9794 17748.6711 0.0000 0.0000 34166.1639 -149381.8744 298.3816 -183548.0383 -149278.1744 298.8113 -31.4302 5.5493 557022.4187 -0.3940 -0.3329 LDB: ============= START OF LOAD BALANCING ============== 3837.93 LDB: ============== END OF LOAD BALANCING =============== 3837.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3837.93 LDB: ============= START OF LOAD BALANCING ============== 3838.22 LDB: Largest compute 4820 load 0.030558 is 26.0% of average load 0.117647 LDB: Average compute 0.001739 is 1.5% of average load 0.117647 LDB: TIME 3838.22 LOAD: AVG 0.117647 MAX 0.178152 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.223 MB LDB: TIME 3838.22 LOAD: AVG 0.117647 MAX 0.178152 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.223 MB LDB: TIME 3838.22 LOAD: AVG 0.117647 MAX 0.178152 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3838.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3838.23 PRESSURE: 1320400 -297.249 11.3144 -129.366 11.3145 -35.7263 111.948 -129.364 111.947 -239.673 GPRESSURE: 1320400 -229.57 32.0321 -34.3175 31.7931 -47.2561 121.101 -187.677 64.249 -204.309 PRESSAVG: 1320400 39.7775 -15.02 4.25325 -15.0199 -13.3907 -13.3666 4.25323 -13.3664 -7.28391 GPRESSAVG: 1320400 40.5204 -13.371 5.30521 -15.251 -13.4839 -12.4741 4.94057 -11.2362 -7.90547 TIMING: 1320400 CPU: 3835.05, 0.00295775/step Wall: 3835.05, 0.00295775/step, 3.02315 hours remaining, 204.875000 MB of memory in use. ENERGY: 1320400 747.5460 2096.5690 1943.2861 113.5174 -206095.3315 17560.6140 0.0000 0.0000 34147.6783 -149486.1207 298.2202 -183633.7990 -149393.3443 298.6890 -190.8828 -160.3783 559041.4612 6.3676 6.3770 PRESSURE: 1320600 22.6985 99.8833 -80.9576 99.8828 153.56 -169.928 -80.9573 -169.928 228.092 GPRESSURE: 1320600 13.2883 -5.25918 -114.365 50.9209 229.627 -119.783 -62.3504 -105.109 251.353 PRESSAVG: 1320600 -65.6644 -12.8965 -38.9255 -12.8965 110.826 -18.8178 -38.9254 -18.8178 -37.0515 GPRESSAVG: 1320600 -66.4785 -13.9706 -40.5776 -11.6324 111.944 -18.9114 -37.7801 -19.5802 -37.0558 TIMING: 1320600 CPU: 3835.64, 0.00291196/step Wall: 3835.64, 0.00291196/step, 2.97619 hours remaining, 205.078125 MB of memory in use. ENERGY: 1320600 700.2745 2075.6876 1946.4187 120.7476 -206669.2656 18125.3959 0.0000 0.0000 34171.8321 -149528.9093 298.4311 -183700.7414 -149438.1280 298.3356 134.7837 164.7561 558777.8632 2.7035 2.8031 PRESSURE: 1320800 219.371 -36.0901 -9.58741 -36.0893 -225.268 -55.5345 -9.5888 -55.5364 -59.8137 GPRESSURE: 1320800 186.267 5.3211 -131.129 -47.0889 -210.785 -66.8205 -13.3668 -79.8759 48.3577 PRESSAVG: 1320800 -9.69811 32.4485 -3.15821 32.4484 48.0817 -62.682 -3.15812 -62.6819 -33.9247 GPRESSAVG: 1320800 -10.9598 31.6162 -1.51968 33.7777 48.9591 -66.0921 -6.65688 -63.08 -33.1609 TIMING: 1320800 CPU: 3836.22, 0.00293514/step Wall: 3836.22, 0.00293514/step, 2.99972 hours remaining, 205.078125 MB of memory in use. ENERGY: 1320800 766.6800 2107.5360 1943.7197 112.4349 -206286.7837 17847.3804 0.0000 0.0000 34113.3820 -149395.6508 297.9206 -183509.0328 -149296.7630 298.5754 -21.9034 7.9466 557536.8271 1.4863 1.6128 PRESSURE: 1321000 67.7481 -113.32 28.3132 -113.319 250.638 -132.877 28.3132 -132.875 19.6273 GPRESSURE: 1321000 99.0709 -88.3413 82.0468 -46.4264 287.493 -97.3459 -0.335056 -44.6161 37.562 PRESSAVG: 1321000 1.62966 12.6349 -0.860317 12.6349 23.1124 -50.1207 -0.860265 -50.1208 -8.02905 GPRESSAVG: 1321000 2.51211 12.4496 1.49786 12.6871 21.9747 -47.857 -0.796874 -51.5203 -8.03665 TIMING: 1321000 CPU: 3836.81, 0.00292444/step Wall: 3836.81, 0.00292444/step, 2.98861 hours remaining, 205.078125 MB of memory in use. ENERGY: 1321000 747.9846 2097.5251 1938.4544 122.3716 -206497.3679 17912.2189 0.0000 0.0000 34280.1709 -149398.6424 299.3773 -183678.8134 -149295.3755 299.3030 112.6710 141.3752 557593.7383 5.5710 5.4834 PRESSURE: 1321200 -317.082 21.3343 -1.48151 21.3358 -147.462 19.8996 -1.4829 19.9005 -245.931 GPRESSURE: 1321200 -292.804 -64.0967 -35.1644 76.7848 -132.171 -13.4668 4.52903 88.7129 -193.441 PRESSAVG: 1321200 -72.9678 8.6484 71.2841 8.64847 31.798 -26.0955 71.2842 -26.0954 22.2286 GPRESSAVG: 1321200 -72.9495 10.4452 69.6043 7.16571 31.8914 -26.1563 72.7781 -25.9555 22.5086 TIMING: 1321200 CPU: 3837.39, 0.00292316/step Wall: 3837.39, 0.00292316/step, 2.98715 hours remaining, 205.078125 MB of memory in use. ENERGY: 1321200 755.9043 2128.3567 1956.5740 119.9710 -206074.3797 17541.2199 0.0000 0.0000 34229.6720 -149342.6819 298.9362 -183572.3539 -149239.6336 299.1878 -236.8250 -206.1388 557506.2392 -6.3137 -6.1832 PRESSURE: 1321400 -68.8086 123.847 60.3512 123.847 -9.62564 -49.5346 60.3517 -49.5356 17.2696 GPRESSURE: 1321400 -50.8549 105.033 -27.0776 105.512 38.3814 92.9275 45.8055 30.8923 56.7964 PRESSAVG: 1321400 -17.324 -39.0801 -7.69081 -39.08 10.1106 10.3573 -7.69078 10.3573 3.86028 GPRESSAVG: 1321400 -17.201 -38.5295 -11.1439 -39.8827 9.20908 10.4506 -3.92213 10.865 4.96581 TIMING: 1321400 CPU: 3837.97, 0.00291261/step Wall: 3837.97, 0.00291261/step, 2.9762 hours remaining, 205.078125 MB of memory in use. ENERGY: 1321400 753.1906 2105.5654 1938.4409 126.2245 -206514.4251 17888.1031 0.0000 0.0000 34444.7509 -149258.1498 300.8146 -183702.9006 -149156.2903 299.7842 -20.3882 14.7743 556841.4045 -1.1177 -1.0087 PRESSURE: 1321600 -185.065 5.37102 27.86 5.37065 125.764 124.469 27.8598 124.469 5.70752 GPRESSURE: 1321600 -157.622 -90.3615 25.87 63.9726 206.037 121.894 -81.5128 71.6499 2.9626 PRESSAVG: 1321600 17.007 -13.4526 16.262 -13.4525 32.3541 -7.76516 16.262 -7.76527 -27.7425 GPRESSAVG: 1321600 17.3707 -14.6565 18.992 -11.2541 33.1809 -6.78809 14.303 -8.88893 -28.6765 TIMING: 1321600 CPU: 3838.56, 0.00291155/step Wall: 3838.56, 0.00291155/step, 2.97496 hours remaining, 205.320312 MB of memory in use. ENERGY: 1321600 745.8683 2072.1754 1964.6889 126.7697 -206188.2634 17855.4513 0.0000 0.0000 34342.6416 -149080.6681 299.9228 -183423.3098 -148987.7693 299.8471 -17.8643 17.1260 556655.2003 7.2062 7.2917 PRESSURE: 1321800 -11.0879 109.014 -23.1659 109.014 -172.481 -19.9676 -23.1646 -19.9686 90.0113 GPRESSURE: 1321800 11.5896 171.556 -25.1323 145.6 -156.177 -124.907 44.3469 -9.32624 148.479 PRESSAVG: 1321800 -16.3369 -46.3468 11.1466 -46.3467 -27.695 8.14709 11.1466 8.14702 -6.23451 GPRESSAVG: 1321800 -15.852 -46.4331 12.5512 -48.4144 -28.1149 7.1802 8.49176 9.48933 -5.92134 TIMING: 1321800 CPU: 3839.14, 0.00290489/step Wall: 3839.14, 0.00290489/step, 2.968 hours remaining, 205.523438 MB of memory in use. ENERGY: 1321800 743.8095 2080.8809 1969.2740 118.1706 -206161.0286 17830.9465 0.0000 0.0000 34229.0617 -149188.8854 298.9309 -183417.9471 -149090.0037 299.3253 -31.1858 1.2973 558303.8629 -16.7555 -16.6294 PRESSURE: 1322000 -193.47 -140.137 76.0191 -140.136 14.0318 -134.976 76.02 -134.977 -82.4701 GPRESSURE: 1322000 -122.846 -79.9074 129.206 -150.536 56.2233 -169.04 69.4336 -152.911 -99.5861 PRESSAVG: 1322000 19.6504 33.8261 -14.9215 33.8263 35.9958 5.0993 -14.9215 5.09923 -24.7312 GPRESSAVG: 1322000 19.0817 34.622 -16.4342 33.8448 36.5821 6.44832 -13.9672 3.75345 -24.9201 TIMING: 1322000 CPU: 3839.72, 0.00289723/step Wall: 3839.72, 0.00289723/step, 2.96 hours remaining, 205.523438 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: 1322000 751.8463 2025.4515 1939.9419 115.9047 -206078.9258 17819.6631 0.0000 0.0000 34181.2676 -149244.8507 298.5135 -183426.1183 -149144.5338 298.8960 -87.3027 -55.4030 558166.4498 10.3050 10.2479 PRESSURE: 1322200 -97.2445 -222.193 104.532 -222.193 -172.366 -106.351 104.531 -106.351 -196.332 GPRESSURE: 1322200 -126.24 -128.876 32.3222 -268.833 -131.446 -29.6731 70.5054 -180.783 -113.428 PRESSAVG: 1322200 -66.6516 -31.0759 40.8672 -31.0758 66.5391 -15.5677 40.8672 -15.5678 -0.156443 GPRESSAVG: 1322200 -65.9672 -31.1177 39.9667 -29.8469 65.5596 -14.4498 41.9245 -13.4177 -0.076392 TIMING: 1322200 CPU: 3840.3, 0.00290253/step Wall: 3840.3, 0.00290253/step, 2.96525 hours remaining, 205.523438 MB of memory in use. ENERGY: 1322200 749.4636 2050.6930 1937.3821 113.1077 -205946.5596 17567.9031 0.0000 0.0000 34252.0339 -149275.9762 299.1315 -183528.0101 -149173.2179 298.5734 -155.3141 -123.7048 554887.2695 -0.0897 -0.1613 PRESSURE: 1322400 -241.653 -138.207 -95.3645 -138.209 -15.238 1.61087 -95.3636 1.61221 -21.6471 GPRESSURE: 1322400 -177.724 -132.586 -91.4046 -22.9082 -17.6605 -58.5145 -148.625 45.005 15.7329 PRESSAVG: 1322400 -81.596 40.6558 43.1885 40.6559 84.5942 -10.0251 43.1884 -10.0252 -13.3712 GPRESSAVG: 1322400 -81.7718 39.4008 43.575 41.3477 84.3803 -13.5701 42.7401 -8.34388 -12.818 TIMING: 1322400 CPU: 3840.88, 0.00291316/step Wall: 3840.88, 0.00291316/step, 2.97596 hours remaining, 205.523438 MB of memory in use. ENERGY: 1322400 760.6598 2065.8951 1949.3187 110.1377 -205720.9054 17414.2994 0.0000 0.0000 34216.2144 -149204.3803 298.8187 -183420.5947 -149107.4630 298.5009 -92.8460 -59.8838 555792.9353 -3.4577 -3.4032 PRESSURE: 1322600 -57.3099 50.3859 207.474 50.3869 -78.3057 15.3343 207.473 15.3337 -52.9966 GPRESSURE: 1322600 -43.1453 147.927 138.672 24.4198 -43.3974 -6.12387 168.241 31.0215 -19.0171 PRESSAVG: 1322600 -9.18255 -58.1264 -8.03412 -58.1265 6.58821 -43.1239 -8.0342 -43.124 56.6618 GPRESSAVG: 1322600 -8.51844 -58.1001 -8.90028 -57.7226 6.81404 -41.628 -7.86995 -45.0853 55.3184 TIMING: 1322600 CPU: 3841.46, 0.00291031/step Wall: 3841.46, 0.00291031/step, 2.97288 hours remaining, 205.523438 MB of memory in use. ENERGY: 1322600 754.7817 2161.7438 1961.1904 107.5274 -206195.0320 17844.5652 0.0000 0.0000 34050.3588 -149314.8646 297.3703 -183365.2234 -149220.3186 299.1298 -62.8707 -35.1866 557392.5833 18.0225 17.8713 PRESSURE: 1322800 -104.084 -71.6588 60.4046 -71.6596 -202.362 -64.7264 60.4025 -64.7252 -54.4347 GPRESSURE: 1322800 -109.029 -31.2429 41.9517 -108.412 -178.301 -55.6247 49.5775 -0.716111 22.6425 PRESSAVG: 1322800 15.286 11.7673 -31.04 11.7673 -11.9816 21.3189 -31.04 21.3189 -10.6038 GPRESSAVG: 1322800 14.5495 14.4907 -31.6651 9.31719 -11.5782 22.6116 -30.15 20.8221 -10.1508 TIMING: 1322800 CPU: 3842.04, 0.00290818/step Wall: 3842.04, 0.00290818/step, 2.97054 hours remaining, 205.523438 MB of memory in use. ENERGY: 1322800 796.5164 2086.9489 1984.1066 106.9698 -206241.4469 17766.1287 0.0000 0.0000 34221.3140 -149279.4626 298.8632 -183500.7765 -149174.8442 299.1057 -120.2936 -88.2292 557259.8243 -2.4331 -2.3932 PRESSURE: 1323000 -274.491 -108.432 -30.2177 -108.432 -76.4753 -18.8172 -30.2175 -18.8159 -20.5339 GPRESSURE: 1323000 -260.77 -121.38 42.3074 -134.177 49.8586 68.3109 -26.8524 -27.3602 -56.7818 PRESSAVG: 1323000 60.0224 -73.2407 59.6796 -73.2407 -16.7558 -2.25753 59.6795 -2.25741 -7.22964 GPRESSAVG: 1323000 59.4162 -76.8444 60.4128 -70.5245 -15.7673 -3.77834 58.8827 -0.571117 -7.93955 TIMING: 1323000 CPU: 3842.62, 0.00288175/step Wall: 3842.62, 0.00288175/step, 2.94339 hours remaining, 205.523438 MB of memory in use. ENERGY: 1323000 760.6378 2079.6822 1960.8216 112.1431 -206075.8270 17606.6706 0.0000 0.0000 34297.3989 -149258.4729 299.5277 -183555.8717 -149150.7013 299.0154 -123.8333 -89.2311 558662.5886 12.0123 11.9031 PRESSURE: 1323200 -31.0045 -251.995 111.986 -251.996 93.3475 3.60662 111.986 3.60738 60.3668 GPRESSURE: 1323200 35.2774 -274.338 131.095 -142.999 80.6572 13.8853 79.9492 36.3062 101.2 PRESSAVG: 1323200 4.44797 -18.0486 -47.6142 -18.0486 35.893 -36.6114 -47.6142 -36.6116 -17.4112 GPRESSAVG: 1323200 5.17828 -19.0768 -47.4735 -17.677 34.6282 -36.7673 -48.2101 -36.2497 -16.4842 TIMING: 1323200 CPU: 3843.2, 0.00290157/step Wall: 3843.2, 0.00290157/step, 2.96347 hours remaining, 205.523438 MB of memory in use. ENERGY: 1323200 736.9397 2169.5311 1972.8672 123.3821 -206124.4372 17813.7690 0.0000 0.0000 34183.2914 -149124.6567 298.5312 -183307.9481 -149026.6748 299.5357 40.9033 72.3781 558719.1749 7.6432 7.7741 PRESSURE: 1323400 -271.007 -48.1164 -96.2136 -48.116 -257.962 74.0037 -96.2154 74.0051 118.64 GPRESSURE: 1323400 -197.858 14.531 -63.9739 -98.9152 -182.22 97.8991 -104.684 111.768 74.6692 PRESSAVG: 1323400 -52.819 -37.8824 -10.6514 -37.8825 57.4356 4.91332 -10.6515 4.91332 13.3057 GPRESSAVG: 1323400 -52.847 -37.0496 -10.9262 -40.0697 57.0654 5.67571 -9.717 5.51305 13.3137 TIMING: 1323400 CPU: 3843.78, 0.00291209/step Wall: 3843.78, 0.00291209/step, 2.97405 hours remaining, 205.523438 MB of memory in use. ENERGY: 1323400 760.2453 2138.5223 1956.4277 114.7812 -205742.8457 17689.0570 0.0000 0.0000 34081.4668 -149002.3453 297.6419 -183083.8121 -148903.5530 299.8165 -136.7762 -101.8030 558770.5796 5.9741 5.8440 PRESSURE: 1323600 -2.59513 103.677 50.0061 103.675 238.987 -131.659 50.0067 -131.659 -34.4226 GPRESSURE: 1323600 28.4513 125.51 15.9108 113.601 277.395 -126.093 51.7163 -155.533 -5.61988 PRESSAVG: 1323600 -12.3652 58.0827 -6.61685 58.0827 -0.257862 -35.2012 -6.61685 -35.2011 27.9036 GPRESSAVG: 1323600 -12.8323 56.9938 -7.32005 61.2669 0.809116 -34.5299 -6.61647 -36.5048 27.5789 TIMING: 1323600 CPU: 3844.37, 0.00293655/step Wall: 3844.37, 0.00293655/step, 2.99887 hours remaining, 205.523438 MB of memory in use. ENERGY: 1323600 717.3124 2108.7914 1969.6750 114.6379 -206483.2066 17896.9246 0.0000 0.0000 34580.6756 -149095.1899 302.0016 -183675.8655 -148997.1000 299.7794 67.3230 100.0754 558320.8545 5.0935 5.1852 PRESSURE: 1323800 47.0779 -33.5967 71.4948 -33.596 319.908 -0.551435 71.4963 -0.551261 108.12 GPRESSURE: 1323800 101.285 -14.4134 113.797 -24.5124 324.683 37.096 74.3353 -69.7597 144.403 PRESSAVG: 1323800 -67.8535 -42.9588 5.1965 -42.9589 36.6338 -28.909 5.19651 -28.909 16.3788 GPRESSAVG: 1323800 -67.5962 -42.3825 5.92886 -44.3833 35.9185 -29.1994 5.08301 -30.9089 16.8092 TIMING: 1323800 CPU: 3844.96, 0.00294127/step Wall: 3844.96, 0.00294127/step, 3.00353 hours remaining, 205.523438 MB of memory in use. ENERGY: 1323800 725.7677 2093.6353 1951.8178 113.2739 -206261.7434 18094.0086 0.0000 0.0000 34328.5239 -148954.7161 299.7995 -183283.2401 -148848.0530 299.6346 158.3688 190.1236 558598.7153 -4.9470 -4.9562 PRESSURE: 1324000 13.1209 65.4578 54.5562 65.4579 -95.3459 8.00916 54.5565 8.01034 80.5548 GPRESSURE: 1324000 55.4408 62.3258 120.305 118.499 -49.7328 -13.8059 -3.8605 112.257 76.178 PRESSAVG: 1324000 -79.0381 5.17803 -34.9639 5.17799 5.4089 -46.8018 -34.9638 -46.8019 87.9293 GPRESSAVG: 1324000 -78.0835 6.23286 -35.0942 4.94761 5.41488 -48.6917 -35.4477 -43.1436 87.5893 TIMING: 1324000 CPU: 3845.55, 0.00293431/step Wall: 3845.55, 0.00293431/step, 2.99625 hours remaining, 205.523438 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: 1324000 744.1889 2090.9749 1948.2775 109.0573 -205844.0144 17680.5515 0.0000 0.0000 34329.5321 -148941.4322 299.8083 -183270.9644 -148844.7583 299.2671 -0.5567 27.2953 557801.4080 4.7667 4.9735 PRESSURE: 1324200 -195.734 50.7935 -110.46 50.793 -190.324 -83.1274 -110.46 -83.1289 30.9847 GPRESSURE: 1324200 -97.836 -9.11515 -143.199 93.6618 -144.688 -14.8751 -143.31 -103.756 -3.7851 PRESSAVG: 1324200 -71.366 5.87412 74.6917 5.87407 45.0249 -22.4356 74.6916 -22.4355 16.5473 GPRESSAVG: 1324200 -71.6294 5.62779 74.2882 6.85143 43.8214 -20.1922 75.0025 -23.6391 17.2451 TIMING: 1324200 CPU: 3846.13, 0.00290795/step Wall: 3846.13, 0.00290795/step, 2.96918 hours remaining, 205.523438 MB of memory in use. ENERGY: 1324200 758.3395 2104.9948 1962.4598 114.7141 -205915.6337 17621.3069 0.0000 0.0000 34385.9917 -148967.8268 300.3014 -183353.8185 -148869.1962 299.4080 -118.3578 -82.1032 557587.0435 -3.2646 -3.5210 LDB: ============= START OF LOAD BALANCING ============== 3849.59 LDB: ============== END OF LOAD BALANCING =============== 3849.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3849.6 LDB: ============= START OF LOAD BALANCING ============== 3849.89 LDB: Largest compute 4820 load 0.030051 is 25.6% of average load 0.117585 LDB: Average compute 0.001727 is 1.5% of average load 0.117585 LDB: TIME 3849.89 LOAD: AVG 0.117585 MAX 0.177998 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.355 MB LDB: TIME 3849.89 LOAD: AVG 0.117585 MAX 0.177998 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.363 MB LDB: TIME 3849.89 LOAD: AVG 0.117585 MAX 0.177998 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3849.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3849.9 PRESSURE: 1324400 57.529 90.6645 125.457 90.6641 172.409 1.90616 125.456 1.90637 -66.7726 GPRESSURE: 1324400 120.987 119.426 208.478 112.171 206.495 -35.7334 29.0217 2.39513 -67.9254 PRESSAVG: 1324400 -13.243 47.4719 9.65049 47.472 26.5416 20.0702 9.65056 20.0702 3.83363 GPRESSAVG: 1324400 -14.1796 46.9153 10.1642 47.1124 27.5299 20.749 10.4835 20.2068 3.40707 TIMING: 1324400 CPU: 3846.72, 0.00296885/step Wall: 3846.72, 0.00296885/step, 3.0312 hours remaining, 204.566406 MB of memory in use. ENERGY: 1324400 725.9519 2120.5853 2005.3814 103.5164 -206164.0797 17910.7645 0.0000 0.0000 34203.0645 -149094.8158 298.7039 -183297.8803 -148992.6489 299.9304 54.3885 86.5188 557099.4167 5.7108 5.5858 PRESSURE: 1324600 76.8454 -5.0886 -122.952 -5.08926 -173.306 114.538 -122.951 114.538 34.8252 GPRESSURE: 1324600 92.1541 18.5534 -139.712 9.10346 -102.303 195.643 -222.456 112.041 47.1491 PRESSAVG: 1324600 19.8177 25.4124 -37.4516 25.4123 3.34178 31.9554 -37.4515 31.9554 -31.6561 GPRESSAVG: 1324600 18.9863 26.5709 -37.1785 24.3526 3.40319 33.2033 -39.0014 31.5493 -31.2673 TIMING: 1324600 CPU: 3847.3, 0.00291051/step Wall: 3847.3, 0.00291051/step, 2.97147 hours remaining, 204.566406 MB of memory in use. ENERGY: 1324600 725.3250 2062.1176 1969.3250 118.5892 -206028.6241 17806.7502 0.0000 0.0000 34328.3046 -149018.2125 299.7976 -183346.5171 -148915.4825 300.1733 -20.5453 12.3334 557724.9875 -2.8322 -2.9593 PRESSURE: 1324800 -141.226 -5.42099 95.6953 -5.41984 -376.158 -87.2376 95.6966 -87.2361 -234.202 GPRESSURE: 1324800 -64.12 -37.8964 2.8233 -12.5259 -376.497 -74.0645 78.7315 -78.3407 -221.037 PRESSAVG: 1324800 37.3976 72.4902 -23.6827 72.4902 27.9664 37.0237 -23.6828 37.0239 -55.1978 GPRESSAVG: 1324800 38.2769 72.2015 -23.1457 69.7532 27.276 35.4698 -22.9843 34.9966 -55.3376 TIMING: 1324800 CPU: 3847.89, 0.00291787/step Wall: 3847.89, 0.00291787/step, 2.97882 hours remaining, 204.566406 MB of memory in use. ENERGY: 1324800 760.4550 2072.5603 1992.2515 134.6956 -205678.3157 17313.3264 0.0000 0.0000 34089.3122 -149315.7148 297.7104 -183405.0270 -149221.6538 298.9206 -250.5286 -220.5511 558984.6616 3.3887 3.4051 PRESSURE: 1325000 -305.268 52.7876 93.2244 52.7881 38.9769 69.6601 93.224 69.6611 -58.5371 GPRESSURE: 1325000 -278.335 45.3828 34.9644 32.2046 65.6095 69.0145 93.709 115.987 -23.3484 PRESSAVG: 1325000 -5.47059 -31.853 33.2954 -31.8531 -8.76617 14.3544 33.2954 14.3544 11.7405 GPRESSAVG: 1325000 -5.50278 -32.137 31.1575 -29.7617 -8.26359 14.0987 36.5785 16.1518 10.8115 TIMING: 1325000 CPU: 3848.47, 0.00292013/step Wall: 3848.47, 0.00292013/step, 2.98097 hours remaining, 204.730469 MB of memory in use. ENERGY: 1325000 746.2735 2079.1198 1960.6185 99.9053 -206231.3228 17695.6707 0.0000 0.0000 34433.5328 -149216.2022 300.7166 -183649.7350 -149117.9289 298.8314 -108.2762 -78.6912 557948.6868 -0.8321 -0.9850 PRESSURE: 1325200 75.0355 -20.926 -60.9091 -20.9259 4.65541 -29.0285 -60.9093 -29.0273 -42.4381 GPRESSURE: 1325200 114.572 32.1955 -70.8025 -50.6124 36.6498 -76.1413 -44.7039 -18.2621 -4.18291 PRESSAVG: 1325200 1.49157 -1.20689 30.3041 -1.20692 -115.173 -14.1615 30.3041 -14.1615 65.0005 GPRESSAVG: 1325200 1.44087 -1.87174 32.5819 0.294987 -115.124 -14.6822 26.9921 -13.3659 65.0714 TIMING: 1325200 CPU: 3849.06, 0.00293686/step Wall: 3849.06, 0.00293686/step, 2.99788 hours remaining, 204.730469 MB of memory in use. ENERGY: 1325200 741.3083 2032.4526 1980.5120 117.3110 -206394.6383 17939.2328 0.0000 0.0000 34475.7125 -149108.1092 301.0850 -183583.8216 -149011.0522 300.2397 12.4176 49.0131 556349.5531 -16.2269 -16.2039 PRESSURE: 1325400 -182.065 76.5505 65.2948 76.5509 -181.929 -207.082 65.2954 -207.081 79.9404 GPRESSURE: 1325400 -125.607 106.313 98.9325 164.725 -127.477 -207.016 17.7555 -176.216 82.9076 PRESSAVG: 1325400 32.2722 21.602 49.3093 21.602 -69.7711 -29.8559 49.3095 -29.856 37.5001 GPRESSAVG: 1325400 33.0901 21.7807 49.9244 21.9343 -71.1464 -29.0387 47.7531 -31.863 38.2485 TIMING: 1325400 CPU: 3849.64, 0.00292281/step Wall: 3849.64, 0.00292281/step, 2.98337 hours remaining, 204.730469 MB of memory in use. ENERGY: 1325400 759.4914 2063.1649 1965.5675 123.3553 -206105.0823 17734.7927 0.0000 0.0000 34319.4806 -149139.2298 299.7206 -183458.7104 -149041.8720 299.0790 -94.6847 -56.7253 557199.7325 0.0004 0.0641 PRESSURE: 1325600 224.216 153.354 -0.951683 153.355 -159.214 -30.8659 -0.950598 -30.8687 -130.784 GPRESSURE: 1325600 316.9 155.867 80.3512 228.265 -192.91 -54.5021 -54.6243 -69.3239 -97.9677 PRESSAVG: 1325600 27.1939 78.596 -37.0381 78.5961 -39.046 -43.0121 -37.0382 -43.0119 4.27418 GPRESSAVG: 1325600 27.5985 77.9614 -36.905 77.7727 -37.7009 -43.3252 -37.1046 -44.3129 2.88557 TIMING: 1325600 CPU: 3850.22, 0.00289798/step Wall: 3850.22, 0.00289798/step, 2.95787 hours remaining, 204.800781 MB of memory in use. ENERGY: 1325600 747.0303 2129.8692 1948.6843 116.7128 -206115.8826 17783.6455 0.0000 0.0000 34308.9135 -149081.0270 299.6283 -183389.9406 -148994.2242 299.3936 -21.9273 8.6741 558204.8935 -2.5260 -2.4056 PRESSURE: 1325800 -253.006 44.556 107.83 44.5561 -183.527 -110.169 107.831 -110.168 -222.256 GPRESSURE: 1325800 -174.885 153.878 45.6243 137.87 -153.424 -63.383 106.66 -197.302 -239.471 PRESSAVG: 1325800 -9.00598 17.9744 22.4114 17.9745 -13.8231 6.13129 22.4114 6.13137 15.6974 GPRESSAVG: 1325800 -9.65929 19.803 23.3799 16.2854 -13.5337 7.7769 23.9611 5.41723 16.1436 TIMING: 1325800 CPU: 3850.8, 0.00290895/step Wall: 3850.8, 0.00290895/step, 2.96891 hours remaining, 204.800781 MB of memory in use. ENERGY: 1325800 757.8320 2035.8835 1976.5031 108.5306 -205981.3098 17585.5655 0.0000 0.0000 34293.1869 -149223.8082 299.4909 -183516.9951 -149124.6553 299.0619 -219.5963 -189.2603 558903.3693 -2.3772 -2.3498 PRESSURE: 1326000 -312.102 68.9893 34.5768 68.9893 -79.9597 15.3267 34.5767 15.3272 -182.145 GPRESSURE: 1326000 -295.764 100.597 18.2834 64.7773 -32.3074 70.1507 4.51824 25.9789 -157.104 PRESSAVG: 1326000 24.9503 23.1902 -26.6012 23.1902 17.3773 49.1727 -26.6012 49.1727 -71.7559 GPRESSAVG: 1326000 24.9076 21.4293 -27.6957 26.3587 17.6372 45.6258 -25.7649 52.9195 -71.5312 TIMING: 1326000 CPU: 3851.38, 0.0028941/step Wall: 3851.38, 0.0028941/step, 2.95359 hours remaining, 204.800781 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: 1326000 759.6005 2113.0318 1965.0368 101.6817 -206095.9357 17691.7738 0.0000 0.0000 34300.0543 -149164.7568 299.5509 -183464.8111 -149075.4355 299.5002 -191.4022 -161.7252 558759.6280 -9.8094 -9.6622 PRESSURE: 1326200 206.76 -77.0082 320.931 -77.0084 12.1502 154.739 320.931 154.738 34.9286 GPRESSURE: 1326200 223.082 -91.3414 265.019 -71.7315 90.5896 167.15 308.515 80.9855 36.0264 PRESSAVG: 1326200 -6.85744 -1.63561 -16.2384 -1.63564 9.39096 -0.034492 -16.2384 -0.03451 -18.9909 GPRESSAVG: 1326200 -5.97624 0.721955 -17.6486 -4.62518 9.22403 1.45829 -16.0151 -4.55231 -18.6483 TIMING: 1326200 CPU: 3851.96, 0.00288756/step Wall: 3851.96, 0.00288756/step, 2.94675 hours remaining, 204.800781 MB of memory in use. ENERGY: 1326200 718.4321 2106.7502 1985.4415 114.0016 -206242.6317 17933.3711 0.0000 0.0000 34069.1789 -149315.4562 297.5346 -183384.6351 -149222.0318 299.0141 84.6131 116.5660 558145.0360 -5.4858 -5.1335 PRESSURE: 1326400 -7.98515 -39.2811 20.8537 -39.2803 7.99678 -104.665 20.8551 -104.664 190.398 GPRESSURE: 1326400 22.1897 -28.9228 -44.269 -32.6779 85.1591 -41.8124 116.796 -56.7236 181.303 PRESSAVG: 1326400 36.0342 69.7212 43.6731 69.7213 -23.1951 51.1312 43.673 51.1311 -27.5517 GPRESSAVG: 1326400 34.8719 69.0408 44.4182 70.2301 -22.3705 51.3 43.4295 52.4734 -27.2513 TIMING: 1326400 CPU: 3852.54, 0.00288571/step Wall: 3852.54, 0.00288571/step, 2.9447 hours remaining, 204.800781 MB of memory in use. ENERGY: 1326400 732.2958 2048.4935 1983.9372 124.8168 -206599.1044 18070.8401 0.0000 0.0000 34320.0165 -149318.7047 299.7252 -183638.7211 -149219.3800 298.5638 63.4700 96.2172 556636.8456 -4.9042 -4.9167 PRESSURE: 1326600 -296.031 -277.429 -51.809 -277.429 4.75501 84.6809 -51.8073 84.6806 118.708 GPRESSURE: 1326600 -234.823 -302.885 38.4483 -244.274 32.5726 8.18669 -50.2447 110.96 118.826 PRESSAVG: 1326600 23.3175 2.65225 -21.5233 2.65235 7.06989 18.2898 -21.5232 18.2897 13.3785 GPRESSAVG: 1326600 23.8695 2.09709 -22.0366 3.64465 8.07293 19.0613 -21.3476 19.1592 12.0585 TIMING: 1326600 CPU: 3853.12, 0.00290646/step Wall: 3853.12, 0.00290646/step, 2.96572 hours remaining, 204.800781 MB of memory in use. ENERGY: 1326600 734.9408 2107.1730 1983.7776 110.6489 -206191.4595 17734.5739 0.0000 0.0000 34279.7544 -149240.5909 299.3736 -183520.3453 -149142.3313 300.2198 -57.5226 -27.8081 557547.7205 14.5886 14.6670 PRESSURE: 1326800 28.2249 125.297 -41.4459 125.298 -73.3093 -75.4735 -41.4462 -75.4749 25.3634 GPRESSURE: 1326800 121.667 108.841 -125.729 176.852 -82.1404 -76.445 -38.7654 -23.7275 27.2106 PRESSAVG: 1326800 31.2977 -34.4546 19.5136 -34.4546 16.8541 -4.49817 19.5135 -4.49834 -61.2992 GPRESSAVG: 1326800 31.6255 -34.1154 18.3047 -35.778 15.39 -5.58944 19.2083 -4.83714 -60.4244 TIMING: 1326800 CPU: 3853.7, 0.00288912/step Wall: 3853.7, 0.00288912/step, 2.94787 hours remaining, 204.800781 MB of memory in use. ENERGY: 1326800 764.8875 2125.6069 1974.8415 112.5449 -206312.9421 17878.9584 0.0000 0.0000 34132.1215 -149323.9814 298.0843 -183456.1029 -149233.1705 299.2307 -6.5736 22.2459 556041.4432 -4.3825 -4.4696 PRESSURE: 1327000 -21.2667 -106.914 -30.6497 -106.914 124.875 9.7005 -30.6497 9.70056 144.643 GPRESSURE: 1327000 32.4821 -97.0812 -70.4518 -151.059 150.206 89.5872 42.6803 67.0206 161.561 PRESSAVG: 1327000 22.9322 34.9279 8.2562 34.9278 -7.95678 5.2298 8.25614 5.22981 -24.1102 GPRESSAVG: 1327000 22.7707 34.8611 8.43529 36.1605 -7.98596 6.50332 8.31183 3.49337 -23.7027 TIMING: 1327000 CPU: 3854.28, 0.00290342/step Wall: 3854.28, 0.00290342/step, 2.96229 hours remaining, 204.800781 MB of memory in use. ENERGY: 1327000 735.1515 2163.2580 1975.6418 108.9698 -205907.7246 17785.6953 0.0000 0.0000 34084.7061 -149054.3020 297.6702 -183139.0081 -148957.4636 299.1549 82.7505 114.7495 557190.3273 -3.0449 -2.9727 PRESSURE: 1327200 -93.161 154.392 116.695 154.392 -175.96 -53.2616 116.694 -53.2627 1.74798 GPRESSURE: 1327200 -68.2557 219.169 114.181 144.849 -120.076 -62.8476 145.716 -82.8599 20.1798 PRESSAVG: 1327200 97.4096 20.6352 1.53042 20.6352 -57.4732 20.8612 1.53045 20.8611 -63.9809 GPRESSAVG: 1327200 97.2353 24.371 4.15323 16.1935 -56.0365 18.0473 -0.182002 23.9297 -64.7562 TIMING: 1327200 CPU: 3854.86, 0.00290206/step Wall: 3854.86, 0.00290206/step, 2.96075 hours remaining, 204.800781 MB of memory in use. ENERGY: 1327200 766.7964 2054.7388 1958.7370 112.2647 -206063.6152 17621.5966 0.0000 0.0000 34349.4850 -149199.9968 299.9826 -183549.4817 -149097.4712 299.8420 -89.1245 -56.0505 556694.5485 -8.0149 -7.8525 PRESSURE: 1327400 -73.8626 40.5742 109.883 40.575 -233.504 -38.32 109.883 -38.3219 -399.022 GPRESSURE: 1327400 -77.9176 54.0626 67.0433 -17.2807 -143.401 -95.1628 168.89 -101.603 -402.098 PRESSAVG: 1327400 28.5799 47.0494 55.1537 47.0494 30.5688 -54.8817 55.1537 -54.8817 -17.286 GPRESSAVG: 1327400 28.3171 42.327 52.0059 50.1488 28.7901 -54.2377 58.846 -56.5502 -16.0651 TIMING: 1327400 CPU: 3855.44, 0.00290535/step Wall: 3855.44, 0.00290535/step, 2.96394 hours remaining, 204.800781 MB of memory in use. ENERGY: 1327400 749.0044 2108.1896 1972.9817 122.0168 -205826.2135 17442.1743 0.0000 0.0000 34363.3010 -149068.5457 300.1033 -183431.8467 -148972.6949 299.8437 -235.4630 -207.8054 556890.2035 13.9543 13.6807 PRESSURE: 1327600 -34.4077 -38.5071 -25.8 -38.5064 -3.67179 -84.8853 -25.8017 -84.8837 -410.55 GPRESSURE: 1327600 51.0919 -15.8321 -86.0154 3.68448 -6.44977 -116.104 24.0098 -139.64 -390.65 PRESSAVG: 1327600 107.32 38.081 4.11224 38.081 35.8408 8.61345 4.11225 8.61347 -105.407 GPRESSAVG: 1327600 108.318 39.6205 3.90117 38.511 36.3842 10.3452 1.2542 8.011 -106.54 TIMING: 1327600 CPU: 3856.01, 0.00287719/step Wall: 3856.01, 0.00287719/step, 2.93506 hours remaining, 204.800781 MB of memory in use. ENERGY: 1327600 769.1739 2122.9499 1973.1256 109.5732 -206057.9250 17786.0358 0.0000 0.0000 34288.2271 -149008.8394 299.4476 -183297.0665 -148911.0552 300.0505 -149.5430 -115.3359 557105.3667 12.5847 12.7207 PRESSURE: 1327800 -228.73 -38.3313 159.78 -38.3324 -99.9357 229.397 159.78 229.395 97.9415 GPRESSURE: 1327800 -231.588 -23.0074 243.204 3.54197 -24.8672 223.234 85.6086 152.307 115.35 PRESSAVG: 1327800 -36.6466 46.7879 12.557 46.788 29.3122 -22.6515 12.557 -22.6516 -17.2769 GPRESSAVG: 1327800 -36.2506 46.1162 13.6718 47.2796 29.3144 -23.9173 12.7927 -22.6377 -17.0506 TIMING: 1327800 CPU: 3856.59, 0.00287729/step Wall: 3856.59, 0.00287729/step, 2.935 hours remaining, 204.800781 MB of memory in use. ENERGY: 1327800 739.9974 2049.0446 1964.5881 119.0487 -205786.9978 17583.0054 0.0000 0.0000 34404.0199 -148927.2937 300.4589 -183331.3136 -148827.1566 300.9907 -76.9082 -47.0350 557524.2360 -8.2038 -7.9956 PRESSURE: 1328000 -265 -44.827 -29.4458 -44.827 -155.652 -20.5533 -29.4459 -20.5504 -149.678 GPRESSURE: 1328000 -229.83 -14.3378 -36.0406 75.7674 -129.13 -15.4487 45.3732 10.936 -117.47 PRESSAVG: 1328000 -25.585 13.9197 42.7784 13.9198 -14.3826 32.6788 42.7784 32.6788 34.0129 GPRESSAVG: 1328000 -27.0581 15.6542 42.2516 13.3173 -14.3461 33.0794 43.1408 33.0802 35.0681 TIMING: 1328000 CPU: 3857.17, 0.00288627/step Wall: 3857.17, 0.00288627/step, 2.944 hours remaining, 204.800781 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: 1328000 795.1978 2085.2497 1973.4305 117.5424 -206067.1547 17729.9585 0.0000 0.0000 34425.8385 -148939.9373 300.6494 -183365.7758 -148848.1145 300.0941 -190.1101 -158.8099 558228.0059 -1.9849 -2.1120 PRESSURE: 1328200 64.9901 49.4182 -243.839 49.4188 111.31 -27.8379 -243.839 -27.8399 161.041 GPRESSURE: 1328200 89.1774 24.9686 -172.4 82.416 138.636 -8.57012 -239.501 -14.8799 201.274 PRESSAVG: 1328200 -42.8089 -10.6917 -28.9941 -10.6917 -6.26545 -8.65841 -28.994 -8.6584 65.1438 GPRESSAVG: 1328200 -41.0169 -9.93419 -27.4756 -12.7833 -6.66275 -8.97466 -28.386 -8.59197 64.1097 TIMING: 1328200 CPU: 3857.75, 0.00290772/step Wall: 3857.75, 0.00290772/step, 2.96571 hours remaining, 204.800781 MB of memory in use. ENERGY: 1328200 719.5072 2108.9157 1976.5953 111.3702 -206083.1879 17900.9653 0.0000 0.0000 34447.2107 -148818.6236 300.8361 -183265.8343 -148717.7552 300.2198 112.4470 143.0294 557432.0364 5.3565 5.4767 LDB: ============= START OF LOAD BALANCING ============== 3861.21 LDB: ============== END OF LOAD BALANCING =============== 3861.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3861.21 LDB: ============= START OF LOAD BALANCING ============== 3861.5 LDB: Largest compute 4820 load 0.029057 is 24.7% of average load 0.117681 LDB: Average compute 0.001733 is 1.5% of average load 0.117681 LDB: TIME 3861.51 LOAD: AVG 0.117681 MAX 0.179042 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.363 MB LDB: TIME 3861.51 LOAD: AVG 0.117681 MAX 0.179042 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: TIME 3861.51 LOAD: AVG 0.117681 MAX 0.179042 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: ============== END OF LOAD BALANCING =============== 3861.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3861.51 PRESSURE: 1328400 131.877 -90.7117 -22.3475 -90.7106 113.601 172.016 -22.348 172.018 65.9334 GPRESSURE: 1328400 80.2504 -66.0818 98.9471 -63.4661 182.873 131.684 -37.2847 102.931 159.791 PRESSAVG: 1328400 7.77598 48.8776 11.8455 48.8777 -27.5949 3.14125 11.8455 3.1413 16.7095 GPRESSAVG: 1328400 6.83802 45.8331 12.4616 52.0621 -26.1048 4.8575 11.1829 2.30546 16.6066 TIMING: 1328400 CPU: 3858.34, 0.00293747/step Wall: 3858.34, 0.00293747/step, 2.99589 hours remaining, 205.265625 MB of memory in use. ENERGY: 1328400 720.7123 2139.1369 1958.3527 120.6236 -206226.9023 17885.6235 0.0000 0.0000 34433.7663 -148968.6870 300.7186 -183402.4533 -148873.6229 300.5667 103.8039 140.9714 557054.1509 -1.0365 -0.8867 PRESSURE: 1328600 3.1114 -67.6508 -22.9447 -67.6515 93.5687 5.34744 -22.9448 5.34854 365.732 GPRESSURE: 1328600 8.81643 -52.2045 -101.235 -14.1111 113.537 -67.3964 -53.6737 0.578343 439.601 PRESSAVG: 1328600 -66.8509 9.27519 -7.78483 9.27521 -10.4928 53.8415 -7.78487 53.8415 38.8324 GPRESSAVG: 1328600 -65.7097 6.60262 -7.86795 9.6359 -10.1573 54.2238 -8.44785 53.4001 38.4473 TIMING: 1328600 CPU: 3858.92, 0.00292512/step Wall: 3858.92, 0.00292512/step, 2.98314 hours remaining, 205.265625 MB of memory in use. ENERGY: 1328600 757.5055 2141.4214 1957.8529 113.8925 -206274.7952 17885.6368 0.0000 0.0000 34420.1781 -148998.3080 300.6000 -183418.4861 -148899.1471 300.1281 154.1372 187.3181 555683.2351 -12.8371 -12.4733 PRESSURE: 1328800 -48.9297 -63.6336 -87.6136 -63.6341 3.82357 -41.468 -87.6141 -41.4671 143.799 GPRESSURE: 1328800 -21.3043 -65.0322 -44.3324 -24.7126 25.6453 68.5598 -119.73 -91.8085 201.838 PRESSAVG: 1328800 -71.795 -35.7646 36.5154 -35.7646 30.1913 0.722958 36.5155 0.722911 52.3436 GPRESSAVG: 1328800 -71.3653 -31.3737 35.7396 -37.9656 29.7919 -1.30412 37.8058 2.08521 53.1527 TIMING: 1328800 CPU: 3859.5, 0.00290779/step Wall: 3859.5, 0.00290779/step, 2.9653 hours remaining, 205.265625 MB of memory in use. ENERGY: 1328800 730.9106 2117.5579 1962.9578 127.2294 -206033.6346 17681.3181 0.0000 0.0000 34324.2670 -149089.3938 299.7624 -183413.6608 -148987.9987 300.8587 32.8977 68.7263 556991.5373 3.5800 3.8598 PRESSURE: 1329000 20.0915 -51.9243 -129.318 -51.9248 -10.4453 -22.6756 -129.319 -22.674 33.927 GPRESSURE: 1329000 -4.02956 3.31494 -197.961 -4.92825 80.2523 55.1028 -96.1837 -16.7201 64.3646 PRESSAVG: 1329000 -41.1666 22.7767 0.0339498 22.7767 14.796 -8.69743 0.0339662 -8.69733 31.3438 GPRESSAVG: 1329000 -42.9653 22.3816 -0.453144 24.469 16.2024 -6.6549 -0.520583 -9.71324 31.3668 TIMING: 1329000 CPU: 3860.08, 0.00289798/step Wall: 3860.08, 0.00289798/step, 2.95513 hours remaining, 205.265625 MB of memory in use. ENERGY: 1329000 726.6857 2081.8804 1941.7297 114.4440 -205914.8111 17715.7922 0.0000 0.0000 34334.2919 -148999.9873 299.8499 -183334.2792 -148894.7069 299.5910 14.5244 46.8624 557118.2201 1.6577 1.5347 PRESSURE: 1329200 -103.382 -54.8545 14.279 -54.8553 -50.2342 -82.4988 14.2793 -82.4992 -40.36 GPRESSURE: 1329200 -52.0208 -2.47445 24.9028 -74.7676 -53.5356 -76.1797 -13.8076 -65.7501 -2.18374 PRESSAVG: 1329200 -35.2885 -22.8857 19.2216 -22.8857 17.6557 -5.12097 19.2215 -5.12089 -14.049 GPRESSAVG: 1329200 -34.8573 -24.4663 19.6581 -23.7289 16.4593 -6.50207 19.26 -6.26997 -13.3905 TIMING: 1329200 CPU: 3860.66, 0.00291192/step Wall: 3860.66, 0.00291192/step, 2.96918 hours remaining, 205.265625 MB of memory in use. ENERGY: 1329200 771.7213 2084.1286 1996.2554 117.7153 -205858.4942 17709.5998 0.0000 0.0000 34184.3182 -148994.7556 298.5402 -183179.0738 -148894.5039 299.8170 -64.6586 -35.9134 557323.9502 -10.5606 -10.5962 PRESSURE: 1329400 -238.656 -110.282 -10.54 -110.282 115.965 -84.4817 -10.5402 -84.482 129.775 GPRESSURE: 1329400 -208.203 -113.123 -45.7768 -95.0283 107.117 7.53819 -14.3361 -75.1565 204.405 PRESSAVG: 1329400 -31.9108 -3.03729 -41.0529 -3.03719 41.9495 8.11916 -41.053 8.1192 -4.26856 GPRESSAVG: 1329400 -31.6294 -2.40987 -40.6216 -3.26068 41.6089 9.02303 -39.8741 9.46243 -4.07879 TIMING: 1329400 CPU: 3861.25, 0.00290578/step Wall: 3861.25, 0.00290578/step, 2.96277 hours remaining, 205.265625 MB of memory in use. ENERGY: 1329400 707.8719 2172.8391 1982.6183 114.0982 -205972.0479 17712.8793 0.0000 0.0000 34282.0851 -148999.6560 299.3940 -183281.7411 -148900.4454 299.8212 2.3615 34.4396 558213.8550 1.9234 1.9669 PRESSURE: 1329600 -58.575 113.138 -86.6519 113.138 125.56 2.29515 -86.6512 2.29547 -227.993 GPRESSURE: 1329600 -73.1343 58.6387 -82.4205 147.439 189.81 -26.8591 -55.3383 67.6895 -186.376 PRESSAVG: 1329600 7.33567 -43.4119 -35.7105 -43.4119 42.9645 -12.9909 -35.7105 -12.9908 -36.886 GPRESSAVG: 1329600 7.11888 -43.2461 -36.0402 -43.1841 43.6934 -12.6158 -36.4784 -14.8311 -38.0456 TIMING: 1329600 CPU: 3861.83, 0.00291303/step Wall: 3861.83, 0.00291303/step, 2.96999 hours remaining, 205.265625 MB of memory in use. ENERGY: 1329600 692.9878 2146.7759 1963.0883 111.1496 -206081.3037 17739.9012 0.0000 0.0000 34209.1402 -149218.2607 298.7569 -183427.4009 -149123.1128 299.7588 -53.6691 -23.2336 559496.6280 4.4714 4.2556 PRESSURE: 1329800 21.4995 -185.199 78.9582 -185.199 -181.535 -82.6128 78.9571 -82.6134 -141.979 GPRESSURE: 1329800 82.8605 -112.616 107.114 -150.941 -152.725 -75.8522 77.0938 -76.8665 -139.711 PRESSAVG: 1329800 -7.6998 34.8962 17.7248 34.8961 30.7333 19.5814 17.7249 19.5814 -25.5881 GPRESSAVG: 1329800 -6.65067 34.8905 18.3887 33.1571 30.3975 19.6161 14.9474 21.0868 -26.4533 TIMING: 1329800 CPU: 3862.41, 0.00290144/step Wall: 3862.41, 0.00290144/step, 2.95801 hours remaining, 205.406250 MB of memory in use. ENERGY: 1329800 707.5023 2144.0036 1974.0426 116.1968 -205823.2642 17592.2884 0.0000 0.0000 34177.5884 -149111.6421 298.4814 -183289.2305 -149017.5048 299.4902 -100.6716 -69.8582 558019.8407 -0.8515 -0.9022 PRESSURE: 1330000 -136.787 -60.4007 -22.4789 -60.4009 -248.13 49.1957 -22.4788 49.1948 -288.052 GPRESSURE: 1330000 -119.146 31.6082 141.053 -118.284 -174.971 86.5616 -53.1257 43.3563 -279.912 PRESSAVG: 1330000 -19.2484 -25.3716 11.128 -25.3717 4.76478 -42.7473 11.1279 -42.7472 45.1403 GPRESSAVG: 1330000 -20.2072 -24.9688 11.8669 -24.0324 4.77082 -44.9086 11.4629 -43.2296 46.1084 TIMING: 1330000 CPU: 3862.99, 0.00289876/step Wall: 3862.99, 0.00289876/step, 2.95512 hours remaining, 205.535156 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: 1330000 759.1678 2062.0873 1994.0547 116.3832 -205780.0840 17588.7099 0.0000 0.0000 34206.5351 -149053.1460 298.7342 -183259.6811 -148954.9640 299.5931 -224.3229 -191.3429 558985.5122 10.2189 10.2240 PRESSURE: 1330200 -17.0349 -11.5754 2.9726 -11.5743 400.836 -84.1885 2.97375 -84.1882 13.6401 GPRESSURE: 1330200 28.5331 -65.2699 60.7687 91.0131 348.89 -23.2248 30.3854 -54.5862 110.751 PRESSAVG: 1330200 -26.4137 7.113 30.7149 7.11302 37.8162 -29.7918 30.715 -29.7917 10.7042 GPRESSAVG: 1330200 -27.6972 6.37149 28.4279 6.01601 37.7601 -28.3542 34.1549 -28.731 11.7403 TIMING: 1330200 CPU: 3863.57, 0.00290535/step Wall: 3863.57, 0.00290535/step, 2.96168 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330200 752.5063 2086.0472 2002.4185 125.5963 -206718.4117 18147.3516 0.0000 0.0000 34320.0269 -149284.4648 299.7253 -183604.4917 -149185.9490 299.4297 132.4803 162.7246 557502.4730 7.3689 7.2677 PRESSURE: 1330400 -27.9956 -75.8067 85.9258 -75.8082 -6.39194 -51.3051 85.9263 -51.3039 -121.824 GPRESSURE: 1330400 68.6847 -50.3515 99.9726 -53.4991 12.3591 -84.2424 92.9824 6.34642 -142.207 PRESSAVG: 1330400 -5.73976 4.71723 14.8932 4.71713 71.2323 -25.3834 14.8932 -25.3835 -49.6301 GPRESSAVG: 1330400 -4.15008 5.68461 14.0068 5.24684 71.2625 -24.4501 15.7832 -27.343 -51.0741 TIMING: 1330400 CPU: 3864.15, 0.00289996/step Wall: 3864.15, 0.00289996/step, 2.95603 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330400 764.2178 2093.0206 1975.0062 126.1112 -206472.2055 17951.8387 0.0000 0.0000 34233.9868 -149328.0242 298.9739 -183562.0110 -149224.7725 298.7566 -52.0704 -20.3876 557529.9679 5.2875 5.3461 PRESSURE: 1330600 -439.893 96.6145 -11.3794 96.6146 -182.628 -173.474 -11.3799 -173.473 -296.48 GPRESSURE: 1330600 -436.058 123.792 -4.08688 119.488 -168.429 -132.229 -23.2947 -172.335 -213.622 PRESSAVG: 1330600 36.0173 35.5243 -4.6957 35.5243 46.3969 -39.3521 -4.69572 -39.3521 -80.7633 GPRESSAVG: 1330600 36.6505 35.0298 -2.15903 34.9613 47.0122 -40.1423 -6.62311 -39.8 -81.2562 TIMING: 1330600 CPU: 3864.73, 0.00291527/step Wall: 3864.73, 0.00291527/step, 2.97147 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330600 778.6059 2045.3558 1964.9934 118.8362 -205797.6747 17426.0277 0.0000 0.0000 33965.9384 -149497.9173 296.6330 -183463.8557 -149397.5393 298.2298 -306.3336 -272.7030 558166.8906 0.5503 0.8022 PRESSURE: 1330800 -78.914 196.001 -98.9422 196.002 -107.195 -59.231 -98.9413 -59.2305 -1.05995 GPRESSURE: 1330800 -44.5137 201.609 -98.7476 140.055 -52.6162 -19.83 -143.997 -101.115 7.56465 PRESSAVG: 1330800 -16.2587 23.5455 -63.3411 23.5456 28.3282 -59.1631 -63.3412 -59.163 -8.19153 GPRESSAVG: 1330800 -16.7813 22.9682 -64.9431 24.15 28.5022 -60.048 -62.841 -57.631 -8.34935 TIMING: 1330800 CPU: 3865.31, 0.00289807/step Wall: 3865.31, 0.00289807/step, 2.95377 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330800 770.6140 2104.7415 1984.4404 123.2498 -206810.9195 17953.3614 0.0000 0.0000 34301.4960 -149573.0163 299.5635 -183874.5123 -149481.9873 298.6293 -62.3896 -29.8551 555893.4892 1.2926 1.1239 PRESSURE: 1331000 -118.11 42.676 -31.7913 42.6758 138.253 -56.9109 -31.7913 -56.9099 -41.7133 GPRESSURE: 1331000 -57.0891 -10.9817 -45.3318 71.5513 184.126 -39.6525 -0.164416 12.4206 -55.2061 PRESSAVG: 1331000 -45.5142 26.7083 -34.4347 26.7083 69.4785 28.9393 -34.4347 28.9393 -5.7144 GPRESSAVG: 1331000 -45.0335 26.5382 -34.9814 26.8094 67.6283 31.1172 -32.4168 28.49 -4.23113 TIMING: 1331000 CPU: 3865.89, 0.00290818/step Wall: 3865.89, 0.00290818/step, 2.96392 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331000 756.2682 2082.6326 1991.0567 118.3876 -206574.6233 17865.1972 0.0000 0.0000 34296.4377 -149464.6433 299.5193 -183761.0810 -149367.5433 299.0656 -7.1901 23.9437 556509.3962 6.0833 6.1212 PRESSURE: 1331200 -135.282 175.694 -19.848 175.694 -10.9696 -142.597 -19.848 -142.597 115.673 GPRESSURE: 1331200 -111.485 60.1084 71.6252 195.804 31.3736 -152.003 -80.0173 -127.753 142.617 PRESSAVG: 1331200 10.6902 71.0103 -5.86002 71.0102 12.7927 44.9264 -5.86014 44.9264 14.4763 GPRESSAVG: 1331200 8.39453 71.1514 -6.11198 71.3323 15.0575 41.637 -8.30261 45.3441 14.1184 TIMING: 1331200 CPU: 3866.47, 0.00290007/step Wall: 3866.47, 0.00290007/step, 2.95549 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331200 753.4534 2111.4779 1988.8707 114.5820 -206529.1911 17829.7487 0.0000 0.0000 34111.3027 -149619.7558 297.9025 -183731.0585 -149529.5526 298.3269 -10.1930 20.8350 556223.8936 12.6531 12.5235 PRESSURE: 1331400 105.364 11.6816 139.034 11.6806 -37.5697 115.094 139.033 115.094 -295.429 GPRESSURE: 1331400 68.0611 54.2881 137.819 -26.3382 6.19563 146.768 99.7655 158.869 -198.66 PRESSAVG: 1331400 -19.9207 21.2244 17.2333 21.2243 37.4786 85.4688 17.2332 85.4688 8.45937 GPRESSAVG: 1331400 -19.1806 20.9579 18.6584 21.7772 36.9697 87.4123 17.391 84.5748 9.08953 TIMING: 1331400 CPU: 3867.05, 0.00289688/step Wall: 3867.05, 0.00289688/step, 2.95209 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331400 733.9672 2055.6085 1994.1580 112.1392 -206368.8949 17716.0171 0.0000 0.0000 34294.4420 -149462.5629 299.5019 -183757.0049 -149364.6519 298.1973 -75.8785 -41.4679 556864.6624 8.6724 8.9596 PRESSURE: 1331600 189.838 128.594 56.755 128.592 18.0141 -102.56 56.755 -102.562 315.328 GPRESSURE: 1331600 242.641 50.6975 59.4395 71.2209 -11.92 7.45522 87.4249 -84.301 380.414 PRESSAVG: 1331600 28.3369 23.5578 9.71753 23.5578 -14.2918 34.4298 9.7175 34.4299 -19.3413 GPRESSAVG: 1331600 27.9701 24.7057 10.0727 23.8356 -14.0205 36.427 9.42281 34.0402 -19.2756 TIMING: 1331600 CPU: 3867.63, 0.00290617/step Wall: 3867.63, 0.00290617/step, 2.96139 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331600 705.3173 2106.4599 1960.7868 119.6850 -207002.8292 18225.3950 0.0000 0.0000 34367.5939 -149517.5912 300.1407 -183885.1851 -149427.3646 298.6853 174.3936 203.7118 556718.8569 -1.7654 -1.7753 PRESSURE: 1331800 160.791 37.6042 -161.424 37.6046 24.1187 22.379 -161.424 22.3816 -178.489 GPRESSURE: 1331800 103.626 122.679 -189.768 64.2322 87.2251 40.5105 -141.232 76.7868 -96.7961 PRESSAVG: 1331800 -34.0589 -16.1472 -37.0539 -16.1473 -48.6317 -1.09675 -37.0539 -1.09685 71.116 GPRESSAVG: 1331800 -33.5354 -17.9058 -36.9439 -17.3214 -49.2377 -2.41694 -39.4129 0.227478 71.1905 TIMING: 1331800 CPU: 3868.21, 0.00288847/step Wall: 3868.21, 0.00288847/step, 2.94319 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331800 715.0592 2102.1708 1954.7932 112.8442 -206333.6031 17847.3562 0.0000 0.0000 33860.5836 -149740.7959 295.7129 -183601.3795 -149647.8105 298.6211 2.1401 31.3517 556682.9697 -3.8582 -3.8609 PRESSURE: 1332000 45.7427 22.9047 177.714 22.9043 -260.678 94.8135 177.714 94.8136 -376.762 GPRESSURE: 1332000 59.1435 60.4588 132.564 11.8066 -218.674 41.7275 209.131 69.0186 -323.41 PRESSAVG: 1332000 16.4513 -13.2573 5.5647 -13.2574 0.739023 8.11519 5.56475 8.11511 -7.07856 GPRESSAVG: 1332000 16.1286 -12.8163 4.90047 -14.2092 0.619601 6.45871 6.33912 7.07751 -7.20804 TIMING: 1332000 CPU: 3868.79, 0.00290553/step Wall: 3868.79, 0.00290553/step, 2.96042 hours remaining, 205.535156 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: 1332000 753.6538 2057.3928 1949.3275 119.8461 -205967.6460 17455.7466 0.0000 0.0000 34073.1430 -149558.5361 297.5692 -183631.6791 -149454.9150 298.2375 -197.2323 -160.9801 556500.1004 3.3706 3.1801 PRESSURE: 1332200 25.0456 128.566 14.4132 128.566 123.006 55.3493 14.413 55.3501 3.88055 GPRESSURE: 1332200 24.6255 100.046 -21.5845 80.8311 162.383 173.573 16.5751 39.0128 66.0117 PRESSAVG: 1332200 10.425 -64.9459 30.8661 -64.9459 -45.297 73.1818 30.8661 73.182 -10.9797 GPRESSAVG: 1332200 9.9715 -62.8335 32.5666 -64.8122 -44.6171 72.7457 32.3769 74.0145 -10.929 TIMING: 1332200 CPU: 3869.37, 0.0028945/step Wall: 3869.37, 0.0028945/step, 2.94901 hours remaining, 205.535156 MB of memory in use. ENERGY: 1332200 725.9272 2096.6869 1947.3249 109.1001 -206648.4205 18133.2515 0.0000 0.0000 34110.6404 -149525.4896 297.8967 -183636.1300 -149438.7055 298.4297 50.6441 84.3399 559892.3720 -15.2839 -15.1916 LDB: ============= START OF LOAD BALANCING ============== 3872.84 LDB: ============== END OF LOAD BALANCING =============== 3872.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3872.84 LDB: ============= START OF LOAD BALANCING ============== 3873.13 LDB: Largest compute 4820 load 0.030662 is 26.0% of average load 0.117710 LDB: Average compute 0.001735 is 1.5% of average load 0.117710 LDB: TIME 3873.13 LOAD: AVG 0.11771 MAX 0.17818 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.652 MB LDB: TIME 3873.13 LOAD: AVG 0.11771 MAX 0.17818 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 3873.13 LOAD: AVG 0.11771 MAX 0.17818 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: ============== END OF LOAD BALANCING =============== 3873.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3873.14 PRESSURE: 1332400 -214.098 -7.06803 162.972 -7.06882 -129.375 140.896 162.971 140.897 -51.2921 GPRESSURE: 1332400 -109.197 -24.1971 101.822 17.3771 -83.285 165.329 249.259 143.946 -106.013 PRESSAVG: 1332400 -17.2185 19.9427 5.2728 19.9427 -14.0054 68.0426 5.27277 68.0426 29.8958 GPRESSAVG: 1332400 -16.0785 19.3844 2.6563 18.9646 -15.0461 68.514 6.64887 67.7121 29.8424 TIMING: 1332400 CPU: 3869.96, 0.00295359/step Wall: 3869.96, 0.00295359/step, 3.00906 hours remaining, 204.023438 MB of memory in use. ENERGY: 1332400 738.9387 2075.3848 1954.9433 117.1963 -206518.6456 17857.6838 0.0000 0.0000 34218.1995 -149556.2992 298.8360 -183774.4987 -149466.6651 298.1857 -131.5884 -99.4984 559624.7387 -0.4427 -0.4274 PRESSURE: 1332600 -5.71701 -69.7909 26.8934 -69.7911 180.192 -44.0862 26.8942 -44.0875 21.7438 GPRESSURE: 1332600 21.541 26.7596 119.867 -101.174 188.15 -162.721 15.286 8.59077 79.3818 PRESSAVG: 1332600 15.6216 6.41327 -20.5727 6.41318 57.415 43.1908 -20.5726 43.1909 -38.5684 GPRESSAVG: 1332600 16.2385 5.65184 -20.9715 8.26695 57.3685 45.3607 -20.8714 42.071 -39.3535 TIMING: 1332600 CPU: 3870.54, 0.00290048/step Wall: 3870.54, 0.00290048/step, 2.95479 hours remaining, 204.226562 MB of memory in use. ENERGY: 1332600 745.3966 2055.4352 1952.0529 101.6877 -206795.0237 18335.6705 0.0000 0.0000 34145.1045 -149459.6764 298.1977 -183604.7809 -149364.7368 298.1271 65.4064 96.3576 559036.6957 11.4894 11.4178 PRESSURE: 1332800 -77.655 -62.9763 16.001 -62.9767 -154.357 -8.59775 16.0015 -8.59712 -27.2595 GPRESSURE: 1332800 -76.5669 -58.1074 51.406 -90.1703 -38.6238 54.6226 -22.7113 7.48535 -60.1362 PRESSAVG: 1332800 13.6392 -5.19611 56.4034 -5.1961 31.6372 -31.5438 56.4034 -31.5438 -37.7138 GPRESSAVG: 1332800 12.7334 -7.32603 56.534 -6.01272 31.8754 -30.547 57.305 -32.9435 -36.7206 TIMING: 1332800 CPU: 3871.12, 0.00289705/step Wall: 3871.12, 0.00289705/step, 2.95113 hours remaining, 204.226562 MB of memory in use. ENERGY: 1332800 712.0742 2039.5880 1943.0668 117.6871 -206235.6091 17824.8312 0.0000 0.0000 34090.3817 -149507.9801 297.7198 -183598.3618 -149412.0694 298.4057 -86.4239 -58.4423 559375.3932 2.5209 2.6294 PRESSURE: 1333000 -229.864 -38.6714 137.144 -38.671 -294.899 30.1824 137.142 30.1845 -7.20453 GPRESSURE: 1333000 -186.13 -78.0947 156.233 -9.36906 -263.352 -22.547 156.245 6.26351 11.3719 PRESSAVG: 1333000 24.3973 -37.6064 -27.8763 -37.6064 0.693766 -34.1032 -27.8763 -34.1032 6.05577 GPRESSAVG: 1333000 23.7451 -37.3006 -25.6755 -35.421 2.08902 -34.413 -30.5445 -31.921 5.59761 TIMING: 1333000 CPU: 3871.7, 0.00289244/step Wall: 3871.7, 0.00289244/step, 2.94627 hours remaining, 204.226562 MB of memory in use. ENERGY: 1333000 734.5055 2120.0689 1930.7024 114.4292 -206155.5149 17518.6430 0.0000 0.0000 34217.7412 -149519.4247 298.8320 -183737.1659 -149427.7142 298.7281 -177.3226 -146.0368 559230.4036 10.3823 10.4772 PRESSURE: 1333200 21.1229 47.8389 -3.39548 47.8384 -58.8543 2.51661 -3.39667 2.51671 -35.7839 GPRESSURE: 1333200 74.7056 104.027 -35.7711 29.4947 -54.3789 13.3996 -24.6527 -48.3955 2.11502 PRESSAVG: 1333200 45.2276 18.3901 -28.4377 18.3901 46.2048 -21.8841 -28.4377 -21.8841 -80.3104 GPRESSAVG: 1333200 45.5034 19.7637 -30.0947 18.8237 45.5087 -22.436 -27.265 -23.5264 -80.4796 TIMING: 1333200 CPU: 3872.28, 0.00290442/step Wall: 3872.28, 0.00290442/step, 2.95831 hours remaining, 204.429688 MB of memory in use. ENERGY: 1333200 742.2173 2073.8842 1935.1144 112.1741 -206442.9034 17985.3040 0.0000 0.0000 34208.2726 -149385.9368 298.7494 -183594.2094 -149286.6189 298.5800 -24.5051 7.4806 557980.0114 3.7074 3.5108 PRESSURE: 1333400 -164.028 -48.8049 26.4105 -48.8037 -299.839 -87.5697 26.4095 -87.57 -52.1214 GPRESSURE: 1333400 -164.666 -81.4575 43.0231 24.6358 -228.276 -73.7237 56.9378 -114.205 -12.851 PRESSAVG: 1333400 2.05693 -23.305 -9.74624 -23.3051 -31.0963 -29.5218 -9.74625 -29.5218 12.7804 GPRESSAVG: 1333400 1.4179 -23.4314 -8.85666 -25.2738 -32.1282 -30.2113 -10.7704 -29.0112 14.6289 TIMING: 1333400 CPU: 3872.86, 0.002897/step Wall: 3872.86, 0.002897/step, 2.95059 hours remaining, 204.429688 MB of memory in use. ENERGY: 1333400 763.1433 2128.6217 1941.8599 106.9386 -206227.6627 17577.0787 0.0000 0.0000 34225.7430 -149484.2774 298.9019 -183710.0204 -149399.9404 297.8267 -171.9963 -135.2644 557265.3723 -5.4196 -5.3605 PRESSURE: 1333600 -13.8778 -213.627 -107.595 -213.626 -74.4024 -19.5506 -107.593 -19.5502 361.14 GPRESSURE: 1333600 61.4507 -165.488 -27.814 -195.121 -54.3797 34.4821 -188.708 -24.4601 364.917 PRESSAVG: 1333600 14.1944 6.03272 5.47536 6.03277 3.24978 12.4416 5.47537 12.4416 -16.2411 GPRESSAVG: 1333600 15.8947 4.60707 7.55964 6.99022 3.25021 12.586 4.36299 13.2466 -17.9907 TIMING: 1333600 CPU: 3873.44, 0.0029145/step Wall: 3873.44, 0.00291451/step, 2.96826 hours remaining, 204.429688 MB of memory in use. ENERGY: 1333600 724.2873 2097.4366 1934.9075 101.5812 -206234.8287 18026.2408 0.0000 0.0000 33988.3292 -149362.0460 296.8285 -183350.3752 -149266.0161 298.9281 90.9533 123.9960 556449.2402 0.4010 0.3847 PRESSURE: 1333800 -330.517 88.6513 -83.3722 88.6514 -224.086 64.3505 -83.3732 64.3502 -81.3922 GPRESSURE: 1333800 -328.794 96.4702 -82.3901 94.0863 -174.086 52.0879 -98.9721 41.2165 -41.9723 PRESSAVG: 1333800 8.63812 1.39301 -9.65256 1.39287 10.4339 27.6742 -9.65257 27.6742 -17.9834 GPRESSAVG: 1333800 8.80973 1.85521 -9.88325 -0.269159 9.45983 27.1192 -8.62528 29.1971 -17.5046 TIMING: 1333800 CPU: 3874.03, 0.00290872/step Wall: 3874.03, 0.00290872/step, 2.96221 hours remaining, 204.429688 MB of memory in use. ENERGY: 1333800 759.3814 2100.6251 1917.9222 109.1423 -206188.1697 17766.4922 0.0000 0.0000 34112.5957 -149422.0107 297.9138 -183534.6064 -149319.9987 298.5057 -211.9983 -181.6176 559762.2055 0.3629 0.2550 PRESSURE: 1334000 -175.062 48.5687 93.5834 48.5692 -356.693 -97.5794 93.5829 -97.5788 -413.155 GPRESSURE: 1334000 -140.453 69.18 73.3098 65.1979 -309.054 -100.311 58.6553 -84.5083 -397.135 PRESSAVG: 1334000 -10.107 -23.9779 -1.6191 -23.978 40.097 6.17971 -1.61908 6.17957 6.02136 GPRESSAVG: 1334000 -10.7734 -24.7089 -2.44595 -22.7765 41.7736 5.63875 -1.81236 4.86363 5.13997 TIMING: 1334000 CPU: 3874.6, 0.00288034/step Wall: 3874.6, 0.00288034/step, 2.93315 hours remaining, 204.429688 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: 1334000 736.6030 2030.7784 1959.0972 108.7202 -205686.6650 17294.2569 0.0000 0.0000 34056.2067 -149501.0026 297.4213 -183557.2093 -149407.4320 298.1724 -314.9698 -282.2141 557189.8981 12.0038 12.0467 PRESSURE: 1334200 -104.564 -16.8194 -73.3924 -16.8175 100.717 -109.705 -73.3918 -109.705 -0.34109 GPRESSURE: 1334200 -45.6993 -46.3179 -148.215 8.44624 68.0631 -136.658 -127.531 -137.125 85.2468 PRESSAVG: 1334200 -44.1286 2.96472 -20.7747 2.9648 67.8723 -25.8306 -20.7747 -25.8306 35.2632 GPRESSAVG: 1334200 -45.2188 4.48071 -19.5555 2.4537 67.4663 -24.4306 -19.9032 -26.4076 36.9002 TIMING: 1334200 CPU: 3875.18, 0.00290496/step Wall: 3875.18, 0.00290496/step, 2.95805 hours remaining, 204.429688 MB of memory in use. ENERGY: 1334200 710.1379 2087.5335 1915.2623 119.9115 -206401.5353 17804.6143 0.0000 0.0000 34183.7974 -149580.2783 298.5356 -183764.0757 -149484.4746 297.6958 -1.3960 35.8702 557839.1309 19.6690 19.7159 PRESSURE: 1334400 -111.152 -319.377 25.3938 -319.377 -22.1851 111.269 25.3932 111.269 -261.218 GPRESSURE: 1334400 -125.311 -350.617 34.0301 -183.734 20.5981 -34.9464 95.6752 132.941 -205.143 PRESSAVG: 1334400 -24.7307 -95.3007 -62.8437 -95.3006 3.06916 -17.3943 -62.8437 -17.3942 3.14524 GPRESSAVG: 1334400 -23.4519 -96.0623 -63.6592 -94.8213 1.63089 -18.5404 -64.1164 -15.9164 2.83512 TIMING: 1334400 CPU: 3875.77, 0.00291007/step Wall: 3875.77, 0.00291007/step, 2.96309 hours remaining, 204.429688 MB of memory in use. ENERGY: 1334400 707.1037 2067.7567 1925.9070 114.2226 -206159.4549 17617.4254 0.0000 0.0000 34121.1835 -149605.8559 297.9888 -183727.0394 -149508.5339 297.5363 -131.5182 -103.2853 558647.2568 -6.1721 -6.3286 PRESSURE: 1334600 -182.489 41.5573 -44.922 41.5573 33.8801 45.5352 -44.9233 45.5348 1.93063 GPRESSURE: 1334600 -138.059 75.5257 -4.62468 11.1651 1.27375 94.9499 -4.91337 -32.8882 83.106 PRESSAVG: 1334600 -15.1824 -56.1513 28.5246 -56.1514 0.984338 2.2129 28.5246 2.2128 -2.60345 GPRESSAVG: 1334600 -14.9939 -57.0114 27.4496 -55.194 0.504017 2.83674 30.2951 1.03037 -2.48243 TIMING: 1334600 CPU: 3876.35, 0.00291751/step Wall: 3876.35, 0.00291751/step, 2.97051 hours remaining, 204.429688 MB of memory in use. ENERGY: 1334600 745.3661 2122.2459 1965.4277 113.6285 -206521.0680 17916.8299 0.0000 0.0000 34178.0133 -149479.5567 298.4851 -183657.5699 -149384.1197 298.4232 -48.8926 -17.8931 559098.0898 -5.6005 -5.6575 PRESSURE: 1334800 -38.4298 -83.1099 -73.664 -83.1112 59.2803 -12.4568 -73.6641 -12.4564 -431.347 GPRESSURE: 1334800 -23.3241 -185.341 -16.4522 -0.718298 71.1482 -7.44155 -9.70461 1.10561 -369.014 PRESSAVG: 1334800 9.14026 19.3965 0.794782 19.3966 41.9473 21.7503 0.794758 21.7503 -48.3828 GPRESSAVG: 1334800 9.11036 19.3924 2.24339 17.9651 41.5748 22.4616 1.1745 21.8271 -47.6699 TIMING: 1334800 CPU: 3876.93, 0.00291551/step Wall: 3876.93, 0.00291551/step, 2.96832 hours remaining, 204.429688 MB of memory in use. ENERGY: 1334800 751.0433 2104.8234 1914.3187 110.7142 -206548.1947 17916.3678 0.0000 0.0000 34303.7624 -149447.1647 299.5833 -183750.9271 -149349.3573 298.2443 -136.8320 -107.0632 559234.0450 0.9016 1.0051 PRESSURE: 1335000 -34.7599 -83.5501 -73.7355 -83.5501 -149.651 87.7153 -73.7358 87.7148 -259.605 GPRESSURE: 1335000 -35.4007 -84.6938 3.89264 -115.667 -51.5891 -11.453 -114.891 61.78 -263.014 PRESSAVG: 1335000 19.1216 -1.67065 8.21824 -1.67055 54.9973 -7.79145 8.21825 -7.79142 -55.6181 GPRESSAVG: 1335000 18.9693 -0.213341 5.44821 -1.98939 56.4888 -8.22526 7.80393 -7.0469 -57.0939 TIMING: 1335000 CPU: 3877.51, 0.00290059/step Wall: 3877.51, 0.00290059/step, 2.95297 hours remaining, 204.429688 MB of memory in use. ENERGY: 1335000 731.3567 2100.7555 1971.5764 108.4391 -206354.5251 17788.3805 0.0000 0.0000 34180.8456 -149473.1714 298.5098 -183654.0170 -149379.8258 297.9134 -148.0054 -116.6679 558961.3401 6.1669 6.1214 PRESSURE: 1335200 119.452 52.2606 -44.3486 52.2611 32.4847 37.8171 -44.3495 37.8178 181.552 GPRESSURE: 1335200 149.15 110.756 -58.2165 -26.8082 88.1034 59.278 -6.06693 47.2033 192.036 PRESSAVG: 1335200 57.5897 -35.8996 -4.63696 -35.8995 -12.1833 -39.7714 -4.63693 -39.7714 -52.1489 GPRESSAVG: 1335200 56.5593 -38.0844 -3.16737 -35.3182 -12.0026 -39.4533 -4.54568 -39.8219 -51.6614 TIMING: 1335200 CPU: 3878.09, 0.00291219/step Wall: 3878.09, 0.00291219/step, 2.96461 hours remaining, 204.500000 MB of memory in use. ENERGY: 1335200 754.1248 2077.0372 1949.5662 115.9608 -206320.7191 17969.1119 0.0000 0.0000 34021.8244 -149433.0938 297.1211 -183454.9182 -149339.9295 297.9298 111.1629 143.0964 556959.3996 -2.2475 -2.3683 PRESSURE: 1335400 24.3725 -72.3405 155.965 -72.3405 -94.8097 47.9523 155.967 47.9511 -24.4138 GPRESSURE: 1335400 73.4692 -59.2539 111.425 -94.3236 -52.29 58.1788 105.706 64.4725 -14.16 PRESSAVG: 1335400 13.3067 -45.4282 77.3044 -45.4282 35.0707 35.0801 77.3045 35.0801 -45.82 GPRESSAVG: 1335400 13.6671 -44.838 78.8449 -44.9571 34.8669 34.7246 77.3338 36.0003 -45.9671 TIMING: 1335400 CPU: 3878.67, 0.00290018/step Wall: 3878.67, 0.00290018/step, 2.95222 hours remaining, 204.500000 MB of memory in use. ENERGY: 1335400 726.6610 2073.7759 1951.7735 114.8376 -206329.9062 17798.5077 0.0000 0.0000 34239.4889 -149424.8617 299.0220 -183664.3505 -149332.0324 298.3411 -31.6170 2.3397 557660.0769 0.8525 0.8556 PRESSURE: 1335600 -56.5194 -77.8505 139.873 -77.8518 -156.387 120.792 139.874 120.793 -311.6 GPRESSURE: 1335600 -22.1034 -26.2801 49.3383 -45.4608 -116.671 93.9822 142.497 44.3669 -280.809 PRESSAVG: 1335600 -15.931 -43.302 35.9832 -43.3021 10.5029 16.8792 35.9833 16.8792 -25.57 GPRESSAVG: 1335600 -15.5476 -42.9527 35.7783 -43.1359 10.8626 17.9092 34.3373 16.2873 -26.0386 TIMING: 1335600 CPU: 3879.25, 0.0029009/step Wall: 3879.25, 0.0029009/step, 2.9528 hours remaining, 204.500000 MB of memory in use. ENERGY: 1335600 755.2859 2013.5036 1961.5040 126.8400 -206082.6561 17685.1317 0.0000 0.0000 34288.6608 -149251.7300 299.4514 -183540.3908 -149147.5596 298.4573 -174.8354 -139.8609 556809.9869 -10.3327 -10.2412 PRESSURE: 1335800 100.568 187.059 18.3506 187.057 171.245 41.5302 18.3507 41.5297 87.7553 GPRESSURE: 1335800 70.8998 176.955 47.7186 172.367 215.015 63.5351 -10.2319 36.4094 163.724 PRESSAVG: 1335800 91.7716 -16.1886 10.932 -16.1886 16.6983 43.9805 10.932 43.9806 -8.67938 GPRESSAVG: 1335800 92.1801 -16.9448 11.0998 -15.314 16.1526 42.694 12.845 44.8908 -8.24028 TIMING: 1335800 CPU: 3879.84, 0.00291626/step Wall: 3879.84, 0.00291626/step, 2.96826 hours remaining, 204.500000 MB of memory in use. ENERGY: 1335800 746.9004 2107.5896 1986.4560 128.5761 -206309.6939 17969.9445 0.0000 0.0000 34212.8404 -149157.3869 298.7892 -183370.2272 -149061.3353 298.7966 119.8560 149.8795 555966.3494 33.2635 33.3641 PRESSURE: 1336000 -93.3697 52.3675 60.7293 52.3676 -46.7098 -107.334 60.7298 -107.336 -209.467 GPRESSURE: 1336000 -65.2981 99.0204 11.2535 29.6211 -25.2813 38.8003 123.539 -139.704 -171.198 PRESSAVG: 1336000 -71.8836 -1.24553 -23.2484 -1.24553 4.68198 32.7453 -23.2484 32.7453 -12.189 GPRESSAVG: 1336000 -72.8611 -1.63713 -23.48 -2.37483 5.82903 32.6362 -24.5938 33.541 -12.2018 TIMING: 1336000 CPU: 3880.42, 0.0029185/step Wall: 3880.42, 0.0029185/step, 2.97039 hours remaining, 204.500000 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: 1336000 739.4272 2134.9300 1982.4866 111.6605 -205753.6965 17440.8937 0.0000 0.0000 34271.2061 -149073.0924 299.2990 -183344.2985 -148974.8151 300.2458 -116.5156 -87.2592 557012.1532 -26.4635 -26.4113 PRESSURE: 1336200 158.253 -84.4267 52.6778 -84.4262 -68.5373 132.96 52.6782 132.962 40.368 GPRESSURE: 1336200 203.64 -68.9314 49.0635 -127.704 3.25481 167.285 89.2542 84.0544 24.1312 PRESSAVG: 1336200 -2.93875 -2.93643 -3.98884 -2.93638 48.4961 27.9497 -3.98882 27.9498 -13.523 GPRESSAVG: 1336200 -3.73977 -0.38319 -2.46633 -5.73955 49.2274 29.2512 -1.53608 25.8644 -13.1728 TIMING: 1336200 CPU: 3881.01, 0.00292183/step Wall: 3881.01, 0.00292183/step, 2.97361 hours remaining, 204.500000 MB of memory in use. ENERGY: 1336200 724.6946 2068.4054 1971.8229 111.4557 -206085.8569 17835.5499 0.0000 0.0000 34334.4731 -149039.4554 299.8515 -183373.9285 -148939.9467 300.1850 43.3613 77.0087 556633.2698 10.6781 10.7716 LDB: ============= START OF LOAD BALANCING ============== 3884.47 LDB: ============== END OF LOAD BALANCING =============== 3884.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3884.47 LDB: ============= START OF LOAD BALANCING ============== 3884.76 LDB: Largest compute 4820 load 0.031520 is 26.8% of average load 0.117669 LDB: Average compute 0.001734 is 1.5% of average load 0.117669 LDB: TIME 3884.76 LOAD: AVG 0.117669 MAX 0.175755 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.508 MB LDB: TIME 3884.76 LOAD: AVG 0.117669 MAX 0.175755 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.562 MB LDB: TIME 3884.76 LOAD: AVG 0.117669 MAX 0.175755 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3884.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3884.77 PRESSURE: 1336400 364.419 -140.121 33.0603 -140.121 -106.75 153.552 33.06 153.552 287.385 GPRESSURE: 1336400 399.613 -140.815 39.8153 -150.691 -75.0181 119.358 48.5439 158.411 315.578 PRESSAVG: 1336400 -14.683 -24.8727 54.7209 -24.8726 -2.4355 33.7112 54.721 33.7111 -61.88 GPRESSAVG: 1336400 -14.2442 -25.5842 53.9577 -22.9626 -3.24097 32.8304 52.7153 34.171 -62.1325 TIMING: 1336400 CPU: 3881.6, 0.00294627/step Wall: 3881.6, 0.00294627/step, 2.99832 hours remaining, 205.136719 MB of memory in use. ENERGY: 1336400 805.6063 2072.1579 1949.9140 111.1649 -206301.5261 17962.3642 0.0000 0.0000 34247.3056 -149153.0132 299.0902 -183400.3189 -149061.3882 299.6717 181.6845 213.3910 554719.0420 -26.3328 -26.5392 PRESSURE: 1336600 -299.249 -9.02546 -111.077 -9.02755 -557.522 -120.338 -111.079 -120.336 -222.572 GPRESSURE: 1336600 -259.778 -34.2569 -117.896 -18.7036 -515.041 -146.597 -82.7708 -88.1342 -221.617 PRESSAVG: 1336600 19.4847 -2.69282 -12.7568 -2.69267 -27.6596 6.87636 -12.7568 6.87636 -33.5395 GPRESSAVG: 1336600 19.4564 -4.94848 -14.0997 -3.00544 -27.4935 7.78873 -13.0689 7.3122 -34.5002 TIMING: 1336600 CPU: 3882.18, 0.00290777/step Wall: 3882.18, 0.00290777/step, 2.95898 hours remaining, 205.207031 MB of memory in use. ENERGY: 1336600 733.5504 2040.4839 1964.9204 130.6172 -205221.4027 17211.2335 0.0000 0.0000 33972.8785 -149167.7187 296.6936 -183140.5973 -149070.7914 298.9910 -359.7811 -332.1453 558386.7270 -13.9048 -14.1791 PRESSURE: 1336800 -65.5836 -217.176 40.5492 -217.176 6.58869 8.24699 40.548 8.24724 152.296 GPRESSURE: 1336800 44.8774 -194.545 79.2059 -184.567 14.7429 47.322 14.4562 13.3018 113.363 PRESSAVG: 1336800 -59.7923 -32.5982 -5.19878 -32.5983 -16.6773 -21.8523 -5.19879 -21.8522 128.96 GPRESSAVG: 1336800 -58.9229 -29.7039 -4.88131 -33.0516 -16.8131 -22.7022 -4.15914 -23.1895 128.328 TIMING: 1336800 CPU: 3882.75, 0.00289137/step Wall: 3882.75, 0.00289137/step, 2.94213 hours remaining, 205.332031 MB of memory in use. ENERGY: 1336800 708.2302 2081.7592 1968.5228 101.6726 -206114.5856 17823.9196 0.0000 0.0000 34463.3083 -148967.1729 300.9766 -183430.4812 -148867.0020 299.6549 31.1003 57.6610 557844.8939 17.4969 17.5306 PRESSURE: 1337000 -338.298 -111.828 56.2773 -111.829 71.5662 -84.6032 56.2777 -84.6032 221.39 GPRESSURE: 1337000 -333.566 -101.451 90.7551 -128.959 138.73 -107.679 13.1385 -135.326 249.228 PRESSAVG: 1337000 -60.6855 8.00221 -6.01116 8.00224 27.1071 13.2847 -6.01119 13.2847 42.2879 GPRESSAVG: 1337000 -62.0037 4.2987 -6.24284 9.73283 26.4856 14.5105 -5.50012 15.044 43.875 TIMING: 1337000 CPU: 3883.33, 0.00289764/step Wall: 3883.33, 0.00289764/step, 2.94835 hours remaining, 205.332031 MB of memory in use. ENERGY: 1337000 758.9967 2103.8441 1961.5120 105.8329 -206089.9671 17704.7606 0.0000 0.0000 34488.7385 -148966.2825 301.1987 -183455.0210 -148873.2039 299.5891 -15.1139 18.1304 556769.7753 2.9032 2.7856 PRESSURE: 1337200 -49.6085 -115.214 52.2611 -115.214 -223.462 80.4341 52.2619 80.4337 -124.006 GPRESSURE: 1337200 -10.4184 -127.688 81.2313 -79.9504 -213.299 139.546 62.33 74.4279 -78.423 PRESSAVG: 1337200 -17.7313 -37.9028 -14.7428 -37.9027 -34.0588 5.89653 -14.7428 5.8965 75.2637 GPRESSAVG: 1337200 -16.673 -38.266 -11.7672 -38.3095 -33.5244 4.88775 -16.9803 4.95078 73.7829 TIMING: 1337200 CPU: 3883.91, 0.00289509/step Wall: 3883.91, 0.00289509/step, 2.94559 hours remaining, 205.332031 MB of memory in use. ENERGY: 1337200 763.0125 2072.8551 1956.3557 109.4186 -205910.2268 17708.8188 0.0000 0.0000 34182.6163 -149117.1499 298.5253 -183299.7661 -149020.4243 299.6356 -132.3591 -100.7135 557209.2507 7.8245 7.8618 PRESSURE: 1337400 -89.8262 77.9654 -11.7335 77.9666 -120.9 -178.858 -11.7331 -178.858 -230.503 GPRESSURE: 1337400 -73.5336 80.2415 43.0936 29.0744 -54.1165 -50.3726 76.3291 -176.648 -216.716 PRESSAVG: 1337400 33.2892 15.8846 76.4185 15.8846 -32.0337 -38.9861 76.4184 -38.9861 -4.36508 GPRESSAVG: 1337400 32.7489 18.4698 74.5131 15.1775 -32.0791 -40.6044 77.6722 -36.9476 -3.77282 TIMING: 1337400 CPU: 3884.49, 0.00289634/step Wall: 3884.49, 0.00289634/step, 2.94671 hours remaining, 205.332031 MB of memory in use. ENERGY: 1337400 772.5483 2045.6746 1957.4727 110.5024 -206133.2985 17633.5735 0.0000 0.0000 34240.1597 -149373.3673 299.0278 -183613.5270 -149278.5868 298.6383 -147.0763 -114.7888 556003.9784 -1.0365 -1.0343 PRESSURE: 1337600 -7.06181 132.696 -156.042 132.695 -136.221 -96.8805 -156.041 -96.8805 -67.178 GPRESSURE: 1337600 17.4682 91.8815 -59.1316 65.4853 -133.086 -57.9433 -183.306 -103.792 4.27508 PRESSAVG: 1337600 44.2661 55.1934 23.8297 55.1934 -23.0885 21.2405 23.8298 21.2405 -38.9604 GPRESSAVG: 1337600 44.5817 57.7869 24.9053 52.4501 -23.9155 21.8847 22.5378 19.8897 -38.355 TIMING: 1337600 CPU: 3885.07, 0.00289803/step Wall: 3885.07, 0.00289803/step, 2.94826 hours remaining, 205.332031 MB of memory in use. ENERGY: 1337600 722.3778 2079.6678 1961.1369 118.8628 -206099.6068 17623.9873 0.0000 0.0000 34177.1844 -149416.3898 298.4779 -183593.5743 -149315.8516 298.7121 -70.1538 -37.1142 555827.6922 -5.9276 -5.8962 PRESSURE: 1337800 -223.451 -97.9475 -11.2062 -97.9478 -265.729 47.1639 -11.2073 47.1646 -200.278 GPRESSURE: 1337800 -174.072 -118.506 -27.1423 -87.0786 -203.994 -4.44184 -19.7893 4.57661 -223.851 PRESSAVG: 1337800 37.5972 38.3144 -34.4046 38.3144 19.8561 5.86984 -34.4045 5.86987 -33.8566 GPRESSAVG: 1337800 36.043 34.1524 -33.542 41.979 21.8851 6.86798 -33.9492 5.6455 -34.4894 TIMING: 1337800 CPU: 3885.65, 0.00287939/step Wall: 3885.65, 0.00287939/step, 2.92914 hours remaining, 205.332031 MB of memory in use. ENERGY: 1337800 766.4157 2051.6737 1966.2134 116.5726 -205793.3837 17353.0061 0.0000 0.0000 34190.2961 -149349.2061 298.5924 -183539.5022 -149252.8387 298.1566 -229.8194 -200.6390 556938.9649 7.8656 7.8129 PRESSURE: 1338000 -117.152 8.44264 -32.4127 8.44252 -158.886 -53.4017 -32.4107 -53.4012 -311.446 GPRESSURE: 1338000 -91.677 -2.25142 -74.237 72.9314 -103.477 -78.8953 87.8744 -26.6232 -302.225 PRESSAVG: 1338000 -38.6905 22.0078 29.4453 22.0077 57.4307 13.4694 29.4452 13.4694 10.0686 GPRESSAVG: 1338000 -37.831 23.2398 27.0446 21.1467 56.2464 12.7265 28.9526 14.9164 10.5739 TIMING: 1338000 CPU: 3886.23, 0.00290634/step Wall: 3886.23, 0.00290634/step, 2.9564 hours remaining, 205.332031 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: 1338000 752.6861 2110.5466 1976.3931 117.5023 -205639.9270 17408.1239 0.0000 0.0000 33995.2578 -149279.4172 296.8890 -183274.6750 -149182.1655 299.2980 -195.8280 -165.7931 556854.9617 9.6029 9.6631 PRESSURE: 1338200 127.919 -162.487 51.2456 -162.486 58.2386 -138.911 51.2471 -138.912 -313.729 GPRESSURE: 1338200 135.358 -218.477 -16.141 -125.898 74.6939 -64.1005 104.202 -73.5327 -237.656 PRESSAVG: 1338200 27.6193 24.6369 6.93211 24.6369 54.2932 -49.4259 6.93213 -49.4258 -80.6429 GPRESSAVG: 1338200 27.1661 23.2065 5.26589 23.7561 53.5635 -50.9395 10.8079 -49.839 -79.7526 TIMING: 1338200 CPU: 3886.81, 0.00289147/step Wall: 3886.81, 0.00289147/step, 2.94111 hours remaining, 205.332031 MB of memory in use. ENERGY: 1338200 760.1930 2085.6530 1928.8580 114.5937 -206276.4839 17711.4639 0.0000 0.0000 34294.1736 -149381.5486 299.4995 -183675.7222 -149293.6850 299.2308 -42.5238 -9.2015 556161.7156 0.4232 0.3257 PRESSURE: 1338400 38.3525 -19.2754 -44.6881 -19.275 -194.224 27.4768 -44.6881 27.4765 34.2218 GPRESSURE: 1338400 111.138 -24.1873 30.0961 -32.6635 -118.079 78.3274 -94.7099 -52.7304 -31.525 PRESSAVG: 1338400 8.439 -15.3913 3.11486 -15.3913 -49.6453 28.9267 3.11489 28.9267 22.2026 GPRESSAVG: 1338400 9.68327 -13.1463 7.09711 -14.3862 -49.539 31.8491 -0.344323 29.9486 21.0701 TIMING: 1338400 CPU: 3887.39, 0.00288993/step Wall: 3887.39, 0.00288993/step, 2.93938 hours remaining, 205.332031 MB of memory in use. ENERGY: 1338400 736.0042 2031.3541 1965.4372 110.9292 -206011.5275 17764.3922 0.0000 0.0000 34006.0559 -149397.3546 296.9833 -183403.4105 -149299.1058 299.5059 -40.5499 -12.8218 558668.5051 -6.3346 -6.2619 PRESSURE: 1338600 -152.673 -27.8285 37.0392 -27.828 38.9005 9.6802 37.0396 9.67981 -53.6995 GPRESSURE: 1338600 -186.735 6.26153 23.7548 -16.6481 96.0254 -79.9834 99.0105 95.3343 6.58819 PRESSAVG: 1338600 24.5108 37.4917 -7.65639 37.4917 -21.5725 28.5175 -7.65643 28.5175 -9.81673 GPRESSAVG: 1338600 24.6474 36.0051 -9.82375 38.2773 -21.1228 27.1859 -6.06486 27.8681 -10.2197 TIMING: 1338600 CPU: 3887.97, 0.00292226/step Wall: 3887.97, 0.00292226/step, 2.9721 hours remaining, 205.332031 MB of memory in use. ENERGY: 1338600 721.7620 2033.4858 1989.8159 115.7375 -206105.1576 17702.8699 0.0000 0.0000 34171.2282 -149370.2582 298.4258 -183541.4864 -149271.5246 298.4864 -55.8241 -28.0405 557080.1789 -2.2928 -2.2317 PRESSURE: 1338800 21.0447 35.6557 101.497 35.6554 -126.42 -28.8978 101.496 -28.8968 -29.1559 GPRESSURE: 1338800 61.3603 40.5138 154.76 97.5296 -69.4583 -21.0758 -6.26282 -31.1692 -12.7441 PRESSAVG: 1338800 -65.9955 20.2019 -5.96963 20.2019 54.4799 -57.9287 -5.9695 -57.9287 -32.4375 GPRESSAVG: 1338800 -65.9619 20.2228 -3.74654 19.4816 53.5866 -57.3585 -6.72031 -58.9121 -31.6073 TIMING: 1338800 CPU: 3888.55, 0.002902/step Wall: 3888.55, 0.002902/step, 2.95134 hours remaining, 205.332031 MB of memory in use. ENERGY: 1338800 737.1630 2095.5547 1949.5722 123.0541 -206397.3493 17719.8341 0.0000 0.0000 34316.5600 -149455.6111 299.6951 -183772.1712 -149357.3023 298.5193 -44.8438 -6.9474 555608.5233 -14.6510 -14.6609 PRESSURE: 1339000 112.04 -5.55857 -108.809 -5.55878 -172.91 5.47114 -108.808 5.47028 96.7311 GPRESSURE: 1339000 157.325 -6.83389 -46.6616 -39.4544 -163.861 53.7328 -96.2123 -22.3308 133.757 PRESSAVG: 1339000 14.9474 21.1664 -48.8898 21.1664 -0.23525 14.9328 -48.8898 14.9327 48.4761 GPRESSAVG: 1339000 15.4393 23.1644 -50.345 19.7303 -0.188594 15.2746 -49.1042 15.1844 47.3842 TIMING: 1339000 CPU: 3889.14, 0.00293474/step Wall: 3889.14, 0.00293474/step, 2.98447 hours remaining, 205.332031 MB of memory in use. ENERGY: 1339000 739.3900 2102.3585 1971.7687 125.1985 -206456.3151 17826.2521 0.0000 0.0000 34319.7402 -149371.6071 299.7228 -183691.3473 -149284.7894 298.8657 11.9538 42.4074 555787.5063 21.0628 20.8783 PRESSURE: 1339200 -152.671 -37.3552 60.9865 -37.3562 -127.388 -68.7409 60.9875 -68.7421 -220.584 GPRESSURE: 1339200 -51.9651 -3.79525 73.5676 -25.2426 -141.169 -10.9875 31.6393 -103.884 -212.685 PRESSAVG: 1339200 -36.5148 20.0272 -27.9775 20.0272 -34.9917 37.4935 -27.9775 37.4935 35.3053 GPRESSAVG: 1339200 -38.0844 19.771 -27.1967 20.7555 -34.7005 35.9654 -27.5652 36.9133 36.2415 TIMING: 1339200 CPU: 3889.72, 0.00293275/step Wall: 3889.72, 0.00293275/step, 2.98228 hours remaining, 205.332031 MB of memory in use. ENERGY: 1339200 736.8248 2116.3418 1934.1397 114.1514 -206112.6613 17475.0705 0.0000 0.0000 34414.3233 -149321.8098 300.5488 -183736.1331 -149221.0237 299.4667 -166.8810 -135.2731 556478.1599 -12.0671 -12.1812 PRESSURE: 1339400 -28.3255 166.691 50.2403 166.691 -81.5733 -77.8564 50.2412 -77.8547 162.398 GPRESSURE: 1339400 10.6023 165.935 37.717 148.823 -11.0849 6.17806 78.4709 -138.979 145.453 PRESSAVG: 1339400 -73.3539 -41.9248 -63.1642 -41.9249 3.94641 -16.2836 -63.1642 -16.2835 47.2232 GPRESSAVG: 1339400 -71.8126 -44.0212 -64.036 -42.0897 3.32209 -14.0841 -62.503 -16.0797 46.6373 TIMING: 1339400 CPU: 3890.31, 0.00290632/step Wall: 3890.31, 0.00290632/step, 2.95524 hours remaining, 205.332031 MB of memory in use. ENERGY: 1339400 754.0105 2144.6974 1934.0068 102.4718 -206219.7914 17775.1695 0.0000 0.0000 34211.6031 -149297.8322 298.7784 -183509.4353 -149198.1483 298.8984 17.4998 48.3235 556097.1534 -7.3948 -7.2844 PRESSURE: 1339600 -106.315 -179.421 51.7555 -179.421 -117.11 42.5531 51.7564 42.5539 222.028 GPRESSURE: 1339600 -34.7329 -156.212 46.9114 -144.942 -101.206 57.9111 34.6948 69.0916 232.429 PRESSAVG: 1339600 -38.0756 -9.64262 -10.2739 -9.64267 13.6437 -40.0972 -10.2738 -40.0972 -18.1658 GPRESSAVG: 1339600 -40.1414 -7.74575 -9.89762 -9.75102 14.5272 -40.0288 -9.14315 -40.7717 -16.4448 TIMING: 1339600 CPU: 3890.89, 0.0029031/step Wall: 3890.89, 0.0029031/step, 2.95181 hours remaining, 205.332031 MB of memory in use. ENERGY: 1339600 705.0145 2130.4253 1948.4990 115.5334 -206172.7904 17655.1214 0.0000 0.0000 34183.2227 -149434.9741 298.5306 -183618.1968 -149336.0756 299.0717 -0.4657 32.1634 556816.0467 -14.1992 -14.0197 PRESSURE: 1339800 -73.4069 -33.8117 -89.0576 -33.8114 -559.626 107.286 -89.0588 107.287 32.1014 GPRESSURE: 1339800 -48.8041 -30.1378 -117.367 0.69685 -539.479 131.872 -67.1249 92.6498 91.0885 PRESSAVG: 1339800 2.48443 -10.5059 2.82088 -10.5059 -27.6722 19.1148 2.82081 19.1147 71.3673 GPRESSAVG: 1339800 3.0996 -11.1663 0.836381 -10.5698 -28.1027 18.1317 1.94902 19.7561 70.4777 TIMING: 1339800 CPU: 3891.47, 0.00292066/step Wall: 3891.47, 0.00292066/step, 2.9695 hours remaining, 205.332031 MB of memory in use. ENERGY: 1339800 744.8442 2085.4819 1946.4535 126.8437 -206155.5374 17413.6198 0.0000 0.0000 34403.4664 -149434.8279 300.4540 -183838.2943 -149333.7513 298.8976 -200.3104 -165.7315 555971.6209 15.3932 15.1582 PRESSURE: 1340000 261.576 -9.70173 -2.84281 -9.70082 33.6717 -81.3448 -2.84252 -81.3462 231.523 GPRESSURE: 1340000 299.279 -60.3979 67.2997 -30.7651 134.326 -152.742 23.599 -82.8748 203.252 PRESSAVG: 1340000 -7.72334 10.1449 0.335537 10.1449 -36.1919 -18.0798 0.335518 -18.0798 49.5168 GPRESSAVG: 1340000 -7.4254 10.7845 3.50225 8.68625 -36.8121 -18.6087 -0.909279 -18.4172 49.365 TIMING: 1340000 CPU: 3892.05, 0.00292264/step Wall: 3892.05, 0.00292264/step, 2.97135 hours remaining, 205.332031 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: 1340000 737.2065 2078.0701 1941.2145 118.7524 -206473.3710 18091.2826 0.0000 0.0000 34063.2942 -149443.5507 297.4832 -183506.8449 -149340.7717 298.7939 175.5901 212.2859 556441.5363 1.8672 1.7092 PRESSURE: 1340200 333.593 51.0345 12.9183 51.0348 -44.6494 12.3329 12.9188 12.3333 -248.851 GPRESSURE: 1340200 361.306 57.523 -2.13894 -4.61637 -6.18377 42.0061 29.9222 -43.9472 -221.792 PRESSAVG: 1340200 -25.5116 -27.996 18.4756 -27.996 -5.44693 -60.4314 18.4756 -60.4314 63.6754 GPRESSAVG: 1340200 -25.4052 -28.0649 17.4528 -26.6246 -4.32545 -59.5245 17.7116 -61.3141 62.4181 TIMING: 1340200 CPU: 3892.64, 0.00293643/step Wall: 3892.64, 0.00293643/step, 2.98521 hours remaining, 205.332031 MB of memory in use. ENERGY: 1340200 787.6188 2099.3786 1942.5740 108.1049 -206383.2464 17961.1001 0.0000 0.0000 34209.3096 -149275.1604 298.7584 -183484.4700 -149180.3400 298.6376 13.3640 44.4433 556993.1926 10.9056 10.8958 LDB: ============= START OF LOAD BALANCING ============== 3896.11 LDB: ============== END OF LOAD BALANCING =============== 3896.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3896.11 LDB: ============= START OF LOAD BALANCING ============== 3896.41 LDB: Largest compute 4820 load 0.029923 is 25.4% of average load 0.117615 LDB: Average compute 0.001735 is 1.5% of average load 0.117615 LDB: TIME 3896.41 LOAD: AVG 0.117615 MAX 0.17855 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.457 MB LDB: TIME 3896.41 LOAD: AVG 0.117615 MAX 0.17855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.504 MB LDB: TIME 3896.41 LOAD: AVG 0.117615 MAX 0.17855 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3896.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3896.41 PRESSURE: 1340400 40.0328 -25.3804 -46.6749 -25.3809 -36.9212 25.7374 -46.6754 25.7398 -12.5438 GPRESSURE: 1340400 46.3496 -71.4301 -58.8256 -20.5213 15.7196 30.6534 -104.803 20.9898 14.9762 PRESSAVG: 1340400 20.9934 20.8536 14.4416 20.8536 -1.74227 26.3495 14.4415 26.3495 -43.1979 GPRESSAVG: 1340400 21.3824 20.3701 15.3759 21.1685 -2.3025 26.1409 13.7354 28.5697 -42.9242 TIMING: 1340400 CPU: 3893.24, 0.00298286/step Wall: 3893.24, 0.00298286/step, 3.03225 hours remaining, 205.105469 MB of memory in use. ENERGY: 1340400 724.0439 2096.1229 1977.4521 121.5896 -206243.3378 17836.3432 0.0000 0.0000 34171.1393 -149316.6468 298.4251 -183487.7861 -149216.8092 298.7403 -3.1441 25.6818 557964.2198 -7.9823 -7.9481 PRESSURE: 1340600 -94.3045 44.0012 -9.85581 44.0005 148.495 -51.2914 -9.85644 -51.2931 -216.432 GPRESSURE: 1340600 -64.2602 -66.7197 -44.519 78.2788 117.294 -47.6124 -35.7872 1.77123 -129.399 PRESSAVG: 1340600 -64.7153 11.2547 16.9974 11.2547 -12.0665 -9.89411 16.9974 -9.8942 64.4715 GPRESSAVG: 1340600 -65.2127 8.27836 16.8956 12.5481 -12.3481 -9.45369 17.2284 -9.93487 65.4674 TIMING: 1340600 CPU: 3893.83, 0.00295408/step Wall: 3893.83, 0.00295408/step, 3.00283 hours remaining, 205.105469 MB of memory in use. ENERGY: 1340600 760.0883 2102.5449 1986.2831 111.7309 -206037.1983 17791.4764 0.0000 0.0000 34070.7319 -149214.3428 297.5482 -183285.0747 -149127.5419 298.9998 -54.0805 -25.4552 558833.8816 -4.1034 -4.0311 PRESSURE: 1340800 -61.4504 179.341 267.857 179.339 52.5569 132.803 267.856 132.803 162.11 GPRESSURE: 1340800 -9.16556 264.465 181.588 44.727 92.1603 236.137 331.836 65.2689 156.977 PRESSAVG: 1340800 -34.5599 56.0924 109.908 56.0924 16.2157 24.8496 109.908 24.8494 43.9149 GPRESSAVG: 1340800 -33.9133 59.1738 108.52 54.9071 17.4242 26.5995 111.751 24.345 42.0636 TIMING: 1340800 CPU: 3894.42, 0.00293468/step Wall: 3894.42, 0.00293468/step, 2.98294 hours remaining, 205.105469 MB of memory in use. ENERGY: 1340800 779.9488 2129.6926 1961.3524 120.6365 -206484.2833 18079.7476 0.0000 0.0000 34294.2851 -149118.6204 299.5005 -183412.9055 -149021.1191 299.2188 51.0721 79.9906 556798.7532 8.5236 8.5248 PRESSURE: 1341000 -114.368 19.1534 45.7792 19.1536 -365.874 47.5889 45.7808 47.5881 -159.213 GPRESSURE: 1341000 -77.0353 5.8898 1.06953 -34.2251 -327.292 107.271 61.2582 130.238 -148.271 PRESSAVG: 1341000 -13.2413 30.1894 53.065 30.1894 -23.1555 53.9913 53.0651 53.9913 -1.56515 GPRESSAVG: 1341000 -13.89 27.3276 53.9126 30.7272 -23.2751 53.6544 53.9184 53.8896 -0.221945 TIMING: 1341000 CPU: 3895, 0.00291702/step Wall: 3895, 0.00291702/step, 2.96483 hours remaining, 205.105469 MB of memory in use. ENERGY: 1341000 794.2622 2105.2456 1984.6251 125.1063 -205941.7205 17442.5907 0.0000 0.0000 34283.7278 -149206.1627 299.4083 -183489.8906 -149108.6692 299.3604 -213.1514 -184.1994 557637.8327 -12.6540 -12.4623 PRESSURE: 1341200 -66.5324 -116.466 -32.6912 -116.466 -7.41144 -50.6982 -32.6912 -50.7009 -223.674 GPRESSURE: 1341200 5.4782 -52.1779 38.4231 -89.9943 -3.84784 -106.892 -43.847 2.00612 -207.214 PRESSAVG: 1341200 -17.4497 -11.5888 12.4679 -11.5887 -51.151 -10.7789 12.4678 -10.779 80.3917 GPRESSAVG: 1341200 -17.1935 -7.85318 13.1669 -14.2135 -51.3477 -12.537 8.23591 -11.1156 80.7721 TIMING: 1341200 CPU: 3895.59, 0.00292818/step Wall: 3895.59, 0.00292818/step, 2.976 hours remaining, 205.105469 MB of memory in use. ENERGY: 1341200 756.0462 2107.6985 1953.6690 119.4640 -206055.9209 17666.8578 0.0000 0.0000 34193.5723 -149258.6131 298.6210 -183452.1853 -149162.6039 298.9185 -99.2059 -68.5278 557651.7305 3.9303 4.0769 PRESSURE: 1341400 -128.035 -97.1325 77.0443 -97.1335 -258.912 -128.56 77.0449 -128.56 -156.783 GPRESSURE: 1341400 -76.5776 -135.807 102.189 -67.1427 -229.907 -190.168 -36.9271 -126.205 -153.461 PRESSAVG: 1341400 52.3601 -29.3147 62.7816 -29.3149 -12.7642 21.7991 62.7816 21.799 -47.7246 GPRESSAVG: 1341400 52.1536 -31.4744 62.4063 -27.3806 -13.0706 21.7885 64.1185 23.0134 -48.3476 TIMING: 1341400 CPU: 3896.17, 0.00291659/step Wall: 3896.17, 0.00291659/step, 2.96407 hours remaining, 205.105469 MB of memory in use. ENERGY: 1341400 761.9444 2111.6827 1953.5065 126.5008 -206284.9497 17734.0535 0.0000 0.0000 34158.8588 -149438.4030 298.3178 -183597.2617 -149334.6576 298.4733 -181.2432 -153.3151 558127.6038 -2.7096 -3.0882 PRESSURE: 1341600 309.585 12.1302 48.3864 12.1311 393.612 9.33145 48.3864 9.33091 49.9002 GPRESSURE: 1341600 292.498 36.3619 80.4463 -43.3925 477.104 -14.5216 42.8155 59.6072 82.385 PRESSAVG: 1341600 30.8168 -15.1503 65.5545 -15.1503 -22.6322 13.0512 65.5544 13.0511 2.68253 GPRESSAVG: 1341600 30.7803 -15.0613 65.6889 -16.3908 -22.4042 12.8957 64.7644 12.3903 2.91558 TIMING: 1341600 CPU: 3896.75, 0.00291437/step Wall: 3896.75, 0.00291437/step, 2.96164 hours remaining, 205.105469 MB of memory in use. ENERGY: 1341600 746.2186 2092.3191 1958.0526 116.1512 -206682.9495 18252.0278 0.0000 0.0000 34178.7352 -149339.4450 298.4914 -183518.1802 -149243.3621 298.2628 251.0322 283.9958 557776.6769 3.6224 3.7639 PRESSURE: 1341800 51.6796 81.1165 -36.5143 81.1166 -109.127 76.6355 -36.5155 76.636 194.993 GPRESSURE: 1341800 91.9201 102.502 80.385 80.8304 -75.3632 52.5271 -55.2353 18.4894 229.304 PRESSAVG: 1341800 -2.92349 -5.02803 -3.75984 -5.02805 18.7443 0.405 -3.75979 0.404991 -21.0602 GPRESSAVG: 1341800 -2.1666 -3.92916 -5.46516 -3.57061 17.7717 -0.340743 -0.444639 0.0782041 -20.6286 TIMING: 1341800 CPU: 3897.34, 0.00293726/step Wall: 3897.34, 0.00293726/step, 2.98474 hours remaining, 205.347656 MB of memory in use. ENERGY: 1341800 741.5021 2117.6097 1966.8251 107.6856 -206556.9978 18059.4733 0.0000 0.0000 34213.1544 -149350.7476 298.7920 -183563.9020 -149257.2146 298.2130 45.8483 81.9536 557848.7207 -1.7465 -1.6745 PRESSURE: 1342000 -283.518 47.1481 -225.504 47.1473 -88.7877 84.5099 -225.506 84.5116 -146.601 GPRESSURE: 1342000 -226.585 -52.7909 -165.413 82.835 -78.1185 153.602 -192.121 52.6215 -120.398 PRESSAVG: 1342000 -0.194401 -16.5188 7.86871 -16.5188 -23.1048 29.827 7.86864 29.8269 27.8053 GPRESSAVG: 1342000 0.565853 -18.5016 9.81917 -16.0795 -23.0647 32.4409 4.56444 28.3278 27.2853 TIMING: 1342000 CPU: 3897.93, 0.00293389/step Wall: 3897.93, 0.00293389/step, 2.98115 hours remaining, 205.347656 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: 1342000 762.1404 2091.4404 1959.5793 117.3785 -206275.1228 17750.5490 0.0000 0.0000 34180.2919 -149413.7433 298.5050 -183594.0352 -149313.6490 298.3514 -172.9688 -141.7004 559635.3004 1.5020 1.5955 PRESSURE: 1342200 156.64 -79.1629 -77.6244 -79.163 137.871 194.879 -77.6247 194.879 -45.7077 GPRESSURE: 1342200 225.041 -93.3073 -31.1466 -77.1233 160.906 209.852 -55.0147 155.973 -31.1984 PRESSAVG: 1342200 -44.439 7.28809 -6.92547 7.28819 -54.2549 -17.5957 -6.92539 -17.5958 39.444 GPRESSAVG: 1342200 -44.0406 10.139 -9.94379 5.25701 -54.0603 -20.2381 -4.55288 -14.5742 39.556 TIMING: 1342200 CPU: 3898.51, 0.002928/step Wall: 3898.51, 0.002928/step, 2.97501 hours remaining, 205.347656 MB of memory in use. ENERGY: 1342200 756.1870 2053.6764 1949.1715 106.7536 -206556.7476 18054.6815 0.0000 0.0000 34265.3608 -149370.9168 299.2479 -183636.2776 -149278.6799 299.0838 82.9344 118.2493 558212.2657 -19.7500 -19.5149 PRESSURE: 1342400 2.68463 -190.012 39.6422 -190.012 -230.861 45.3081 39.6402 45.3071 -275.291 GPRESSURE: 1342400 33.2818 -249.302 18.9121 -85.2182 -166.806 5.0291 21.8976 12.9046 -287.621 PRESSAVG: 1342400 11.3056 -13.5562 44.0563 -13.5562 56.1837 -11.3383 44.0562 -11.3383 -15.1722 GPRESSAVG: 1342400 9.55847 -15.2012 45.4089 -11.6282 56.3851 -9.08077 43.2319 -13.7514 -14.6618 TIMING: 1342400 CPU: 3899.09, 0.00289679/step Wall: 3899.09, 0.00289679/step, 2.94314 hours remaining, 205.347656 MB of memory in use. ENERGY: 1342400 738.3477 2097.5329 1959.2635 108.5452 -206268.8332 17620.8609 0.0000 0.0000 34374.5406 -149369.7423 300.2014 -183744.2830 -149273.7805 299.0176 -167.8226 -140.3817 557110.2332 17.4390 17.0939 PRESSURE: 1342600 81.8545 87.6123 -30.9008 87.6127 -331.255 24.2343 -30.9007 24.2348 -58.6471 GPRESSURE: 1342600 151.507 84.3168 -16.8744 135.112 -357.191 34.8882 7.76412 5.52997 4.40217 PRESSAVG: 1342600 -24.6702 5.8048 5.30913 5.80478 -35.9054 5.6835 5.30915 5.68355 56.6373 GPRESSAVG: 1342600 -23.5551 5.92112 7.7164 7.93669 -36.0857 3.18819 3.66162 7.60653 56.1419 TIMING: 1342600 CPU: 3899.68, 0.00293078/step Wall: 3899.68, 0.00293078/step, 2.97751 hours remaining, 205.347656 MB of memory in use. ENERGY: 1342600 757.9279 2099.4003 1921.6781 101.9793 -206582.3987 17944.1501 0.0000 0.0000 34143.9916 -149613.2714 298.1880 -183757.2631 -149509.8932 298.8014 -102.6827 -67.0942 558368.8267 -1.3128 -1.1663 PRESSURE: 1342800 32.4107 70.6207 -22.1147 70.6212 -113.24 -116.777 -22.1153 -116.778 39.876 GPRESSURE: 1342800 64.0367 94.0452 -53.0169 112.391 -66.5753 -107.595 -68.0385 -133.049 41.2385 PRESSAVG: 1342800 53.1052 7.37702 -50.9874 7.3771 10.0699 33.8721 -50.9873 33.872 -3.85744 GPRESSAVG: 1342800 52.9136 9.11922 -54.0733 4.83421 9.9312 34.4372 -47.2106 31.978 -3.81616 TIMING: 1342800 CPU: 3900.26, 0.00290297/step Wall: 3900.26, 0.00290297/step, 2.9491 hours remaining, 205.417969 MB of memory in use. ENERGY: 1342800 725.2721 2080.9643 1960.5186 103.8903 -206089.0744 17662.3095 0.0000 0.0000 34045.0387 -149511.0807 297.3238 -183556.1195 -149410.8993 298.2741 -13.6510 12.9000 557021.6261 19.7726 19.6762 PRESSURE: 1343000 17.083 97.3404 142.896 97.3391 -15.2839 -44.9463 142.897 -44.9456 -343.863 GPRESSURE: 1343000 -0.62464 112.811 149.477 31.5204 -5.60659 -29.0566 126.809 -33.0436 -250.99 PRESSAVG: 1343000 9.78765 57.5464 15.9586 57.5464 -25.7145 -11.4108 15.9586 -11.4108 -69.6063 GPRESSAVG: 1343000 9.36829 57.7993 16.1478 56.2541 -25.8141 -11.9622 14.3523 -10.3596 -69.6153 TIMING: 1343000 CPU: 3900.84, 0.00289891/step Wall: 3900.84, 0.00289891/step, 2.94481 hours remaining, 205.417969 MB of memory in use. ENERGY: 1343000 803.4949 2077.9094 1962.5032 107.3639 -206350.1199 17720.5908 0.0000 0.0000 34245.3041 -149432.9537 299.0728 -183678.2578 -149339.0847 297.6563 -114.0212 -85.7404 556394.3472 -28.5110 -28.6870 PRESSURE: 1343200 -169.387 -78.6019 -48.0219 -78.6028 -52.8442 33.3581 -48.0236 33.3578 16.3924 GPRESSURE: 1343200 -147.148 -18.4007 -28.7644 -39.6982 -33.3792 63.5159 -59.493 50.5976 77.1545 PRESSAVG: 1343200 12.2465 -20.1889 31.4658 -20.1889 62.1149 11.5117 31.4658 11.5116 -66.5854 GPRESSAVG: 1343200 12.3479 -21.8654 31.0512 -20.127 62.6152 11.207 32.4276 11.1578 -66.7609 TIMING: 1343200 CPU: 3901.42, 0.00291738/step Wall: 3901.42, 0.00291738/step, 2.96341 hours remaining, 205.417969 MB of memory in use. ENERGY: 1343200 755.0397 2098.6936 1941.6842 105.0101 -206489.1963 17962.3398 0.0000 0.0000 34103.4483 -149522.9805 297.8339 -183626.4288 -149425.6907 298.2747 -68.6129 -34.4577 556663.6480 2.5920 2.7341 PRESSURE: 1343400 187.193 188.901 55.8577 188.9 73.4925 -70.3824 55.8562 -70.3844 16.6963 GPRESSURE: 1343400 239.908 214.231 -9.93441 206.431 78.7157 -87.9584 106.349 -71.8262 59.5145 PRESSAVG: 1343400 -42.9345 -14.6594 27.3748 -14.6594 78.9601 -48.4426 27.3748 -48.4426 -35.2572 GPRESSAVG: 1343400 -43.1746 -12.845 29.6283 -13.5651 79.1533 -47.4396 25.7657 -49.4868 -34.9397 TIMING: 1343400 CPU: 3902.01, 0.0029273/step Wall: 3902.01, 0.0029273/step, 2.97332 hours remaining, 205.417969 MB of memory in use. ENERGY: 1343400 700.6192 2089.4519 1961.6282 129.8525 -206761.1648 18085.4330 0.0000 0.0000 34356.7603 -149437.4198 300.0461 -183794.1801 -149340.2927 298.5757 92.4605 126.0459 557098.8500 0.2561 0.3463 PRESSURE: 1343600 80.908 -99.9673 -10.9601 -99.9688 -22.3222 207.338 -10.9601 207.337 119.18 GPRESSURE: 1343600 140.749 -127.678 -41.8923 -66.6859 57.5338 192.07 42.5661 143.972 71.3713 PRESSAVG: 1343600 15.2073 38.2843 2.49653 38.2843 26.1132 -4.03018 2.49656 -4.03019 -42.2439 GPRESSAVG: 1343600 14.8691 36.2224 0.88637 39.1649 27.0973 -4.6193 3.87789 -3.79425 -42.0535 TIMING: 1343600 CPU: 3902.59, 0.00289897/step Wall: 3902.59, 0.00289897/step, 2.94439 hours remaining, 205.417969 MB of memory in use. ENERGY: 1343600 731.0940 2118.5591 1976.7671 109.2604 -206257.6395 17774.1737 0.0000 0.0000 34150.5865 -149397.1987 298.2456 -183547.7852 -149301.1733 299.5139 59.2552 89.8846 555903.7406 -0.3078 -0.0290 PRESSURE: 1343800 -28.4219 7.60959 28.6035 7.61149 43.7572 329.449 28.6045 329.45 248.14 GPRESSURE: 1343800 14.3147 -21.1223 97.583 26.8573 66.1198 223.532 92.1121 350.105 277.271 PRESSAVG: 1343800 -1.85802 -28.9291 20.3001 -28.9292 -5.26571 -5.85649 20.3002 -5.85666 1.16031 GPRESSAVG: 1343800 -0.526589 -29.0508 19.3321 -29.0545 -6.18231 -5.71924 21.0119 -5.14064 0.733986 TIMING: 1343800 CPU: 3903.17, 0.00291228/step Wall: 3903.17, 0.00291228/step, 2.95775 hours remaining, 205.417969 MB of memory in use. ENERGY: 1343800 781.8293 2091.4569 1982.5077 110.7938 -206665.0772 17979.0204 0.0000 0.0000 34202.9492 -149516.5200 298.7029 -183719.4691 -149422.0894 298.9605 87.8252 119.2352 553834.2392 -1.9878 -1.9916 PRESSURE: 1344000 104.18 -82.8894 158.028 -82.8892 -153.307 -79.5465 158.028 -79.546 -0.718243 GPRESSURE: 1344000 129.372 -62.4501 187.961 -26.0707 -178.631 -201.761 121.659 -50.7315 89.0616 PRESSAVG: 1344000 31.4156 -21.8296 8.24539 -21.8297 1.6722 -59.4572 8.24546 -59.4572 -37.5866 GPRESSAVG: 1344000 31.5526 -20.1666 8.26049 -23.7606 -0.262931 -58.5235 6.30278 -59.8901 -36.1718 TIMING: 1344000 CPU: 3903.75, 0.00292069/step Wall: 3903.75, 0.00292069/step, 2.96613 hours remaining, 205.417969 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: 1344000 766.2467 2078.5060 1987.6885 110.6881 -206289.9014 17800.6952 0.0000 0.0000 33844.5866 -149701.4903 295.5732 -183546.0769 -149605.8023 297.5405 -16.6153 13.2677 555572.2551 -1.4996 -1.6274 PRESSURE: 1344200 4.38161 2.03948 -122.2 2.03966 25.968 -79.3856 -122.199 -79.3848 -84.1385 GPRESSURE: 1344200 48.4877 -47.4837 -76.1804 -28.0613 -1.38608 -121.918 -169.141 -172.88 -11.8671 PRESSAVG: 1344200 45.2002 -75.4452 29.0629 -75.4452 -112.829 -39.5823 29.0628 -39.5825 40.4248 GPRESSAVG: 1344200 45.7218 -74.7798 27.765 -76.7742 -111.77 -40.9451 30.1371 -39.4259 38.0284 TIMING: 1344200 CPU: 3904.34, 0.00291297/step Wall: 3904.34, 0.00291297/step, 2.95812 hours remaining, 205.417969 MB of memory in use. ENERGY: 1344200 767.6493 2095.9732 1957.0120 117.6707 -206155.8204 17822.1308 0.0000 0.0000 33875.7773 -149519.6072 295.8456 -183395.3845 -149421.5645 298.0661 -17.9296 11.7448 556917.1687 -9.0679 -9.3399 LDB: ============= START OF LOAD BALANCING ============== 3907.8 LDB: ============== END OF LOAD BALANCING =============== 3907.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3907.8 LDB: ============= START OF LOAD BALANCING ============== 3908.09 LDB: Largest compute 4820 load 0.030290 is 25.7% of average load 0.117668 LDB: Average compute 0.001732 is 1.5% of average load 0.117668 LDB: TIME 3908.1 LOAD: AVG 0.117668 MAX 0.179074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.566 MB LDB: TIME 3908.1 LOAD: AVG 0.117668 MAX 0.179074 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: TIME 3908.1 LOAD: AVG 0.117668 MAX 0.179074 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3908.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3908.1 PRESSURE: 1344400 145.313 -24.2899 -171.076 -24.2903 229.612 93.9638 -171.076 93.9634 164.057 GPRESSURE: 1344400 222.286 38.2495 -98.8508 -23.609 268.48 108.269 -206.375 103.022 140.096 PRESSAVG: 1344400 35.2164 -33.0998 -10.0215 -33.0997 2.46532 27.9646 -10.0217 27.9646 -69.3028 GPRESSAVG: 1344400 33.5657 -34.2388 -7.77473 -31.253 2.80143 27.6954 -10.5647 30.8783 -67.6889 TIMING: 1344400 CPU: 3904.93, 0.00296397/step Wall: 3904.93, 0.00296397/step, 3.00974 hours remaining, 204.824219 MB of memory in use. ENERGY: 1344400 714.1663 2037.7374 1953.2121 108.4516 -206886.4033 18113.4031 0.0000 0.0000 34162.1965 -149797.2363 298.3470 -183959.4328 -149692.6101 297.6450 179.6608 210.2875 556477.1464 -10.5404 -10.4406 PRESSURE: 1344600 377.245 -75.1738 -90.0295 -75.1743 127.574 116.98 -90.0291 116.982 -99.0699 GPRESSURE: 1344600 411.84 -52.4866 -40.5841 -138.266 159.495 143.059 -114.568 114.597 -79.9636 PRESSAVG: 1344600 20.2153 -46.6954 34.9708 -46.6953 51.9463 24.2681 34.9708 24.2683 -34.2947 GPRESSAVG: 1344600 21.1331 -48.0283 34.6157 -45.2423 51.5164 25.9357 34.1822 20.2585 -34.0619 TIMING: 1344600 CPU: 3905.51, 0.00291858/step Wall: 3905.51, 0.00291858/step, 2.96349 hours remaining, 205.285156 MB of memory in use. ENERGY: 1344600 728.9231 2063.7333 1956.6160 110.3749 -206653.2680 18220.3364 0.0000 0.0000 33835.2879 -149737.9964 295.4920 -183573.2844 -149643.1676 297.7665 135.2497 163.7905 556196.6347 12.6223 12.8625 PRESSURE: 1344800 190.799 -16.3102 86.6589 -16.3091 -11.0279 -92.0131 86.6581 -92.0126 -36.1966 GPRESSURE: 1344800 244.249 23.8021 108.235 -72.213 18.4277 -28.3186 -10.5419 -180.209 -29.2006 PRESSAVG: 1344800 -55.5613 -88.3214 -14.2 -88.3215 27.8682 -4.43355 -14.1999 -4.43345 9.42478 GPRESSAVG: 1344800 -54.7622 -85.8852 -15.1144 -90.0448 28.5525 -5.0601 -12.9656 -0.613828 8.39952 TIMING: 1344800 CPU: 3906.09, 0.00291107/step Wall: 3906.09, 0.00291107/step, 2.95571 hours remaining, 205.285156 MB of memory in use. ENERGY: 1344800 750.3949 2086.9976 1966.2602 120.0029 -206694.0726 18051.3340 0.0000 0.0000 34019.8861 -149699.1969 297.1041 -183719.0830 -149605.7990 297.6589 47.8583 77.8254 556922.5955 -6.0894 -5.9367 PRESSURE: 1345000 111.348 -16.6693 142.043 -16.6672 298.551 -77.4229 142.043 -77.4218 163.502 GPRESSURE: 1345000 170.886 -92.1055 141.21 10.9939 392.275 27.2653 146.776 -119.781 114.937 PRESSAVG: 1345000 87.9086 -15.8284 -65.0639 -15.8283 -35.0568 -50.7828 -65.0639 -50.7827 -31.4468 GPRESSAVG: 1345000 86.9925 -17.0381 -63.5072 -14.3362 -35.2704 -49.8758 -65.0395 -51.94 -30.1322 TIMING: 1345000 CPU: 3906.68, 0.00291089/step Wall: 3906.68, 0.00291089/step, 2.95537 hours remaining, 205.285156 MB of memory in use. ENERGY: 1345000 702.7594 2107.4860 1950.7498 124.1359 -206689.2846 18011.1746 0.0000 0.0000 34271.6583 -149521.3206 299.3029 -183792.9789 -149425.1383 298.3086 191.1334 226.0326 555846.5411 7.1350 7.1966 PRESSURE: 1345200 57.8189 122.573 -252.788 122.572 -287.914 154.069 -252.789 154.068 -151.607 GPRESSURE: 1345200 91.3225 110.707 -265.22 87.1095 -242.752 157.679 -202.833 84.0757 -132.072 PRESSAVG: 1345200 86.6439 -63.9777 -38.6187 -63.9777 3.1212 40.8561 -38.6188 40.8561 -65.0637 GPRESSAVG: 1345200 86.4861 -64.186 -39.9485 -63.1965 3.08081 41.4585 -37.6658 40.808 -64.9273 TIMING: 1345200 CPU: 3907.26, 0.00290314/step Wall: 3907.26, 0.00290314/step, 2.94734 hours remaining, 205.285156 MB of memory in use. ENERGY: 1345200 750.9495 2071.6830 1954.8274 111.4615 -206294.1648 17640.3558 0.0000 0.0000 34071.7726 -149693.1149 297.5573 -183764.8876 -149595.9767 298.3306 -127.2339 -94.5005 556354.1469 8.2338 8.2132 PRESSURE: 1345400 -65.6554 -225.266 60.5695 -225.266 -431.483 83.4027 60.5701 83.4038 -181.542 GPRESSURE: 1345400 -60.0973 -188.466 -48.2926 -157.533 -423.219 40.0761 129.257 130.41 -85.646 PRESSAVG: 1345400 -4.61435 6.78972 5.32154 6.78972 -14.13 87.1775 5.32156 87.1775 36.8639 GPRESSAVG: 1345400 -4.47772 6.33235 6.87007 6.86637 -12.5773 85.616 4.80095 87.7886 36.1068 TIMING: 1345400 CPU: 3907.84, 0.00291607/step Wall: 3907.84, 0.00291607/step, 2.9603 hours remaining, 205.285156 MB of memory in use. ENERGY: 1345400 744.8932 2086.0712 1959.8657 109.6990 -206033.4077 17424.6983 0.0000 0.0000 34150.2337 -149557.9466 298.2425 -183708.1804 -149464.7146 298.2839 -226.2267 -189.6540 558807.5244 6.0398 6.3506 PRESSURE: 1345600 -319.603 -80.2921 -59.7153 -80.2926 -63.5487 62.0581 -59.7152 62.058 -154.633 GPRESSURE: 1345600 -264.155 -115.631 -86.0715 -59.2477 -46.1778 95.0172 24.7702 58.1277 -124.461 PRESSAVG: 1345600 -111.045 5.09519 31.517 5.09515 1.44879 39.6267 31.5169 39.6268 54.238 GPRESSAVG: 1345600 -110.605 4.45626 31.3548 4.07758 -0.369699 40.2297 30.3407 39.3209 55.3171 TIMING: 1345600 CPU: 3908.42, 0.00291674/step Wall: 3908.42, 0.00291674/step, 2.96082 hours remaining, 205.285156 MB of memory in use. ENERGY: 1345600 750.2568 2060.7619 1949.6006 104.2163 -206227.0547 17778.6099 0.0000 0.0000 34022.9073 -149560.7019 297.1305 -183583.6093 -149466.0347 297.9087 -179.2614 -144.9315 558493.4899 -18.4527 -18.5525 PRESSURE: 1345800 285.835 147.024 -32.4166 147.025 183.297 79.5575 -32.4167 79.5571 68.8389 GPRESSURE: 1345800 300.36 135.488 -118.29 66.361 240.455 126.97 -71.5051 1.6339 79.5419 PRESSAVG: 1345800 -47.9486 -18.1445 -68.4436 -18.1445 4.56607 -4.62443 -68.4435 -4.62444 36.6391 GPRESSAVG: 1345800 -47.0711 -19.3174 -70.0708 -16.8857 4.89306 -5.03161 -66.6403 -5.0463 35.9178 TIMING: 1345800 CPU: 3909.01, 0.00291698/step Wall: 3909.01, 0.00291698/step, 2.96089 hours remaining, 205.285156 MB of memory in use. ENERGY: 1345800 722.3788 2131.3253 1976.9198 111.8372 -206889.4719 18193.9728 0.0000 0.0000 34352.8007 -149400.2375 300.0116 -183753.0381 -149308.6269 298.3641 179.3237 206.7857 557171.2500 -2.2478 -2.0867 PRESSURE: 1346000 30.0272 -75.8848 9.99547 -75.8847 -145.528 -69.7935 9.9956 -69.793 275.306 GPRESSURE: 1346000 32.864 57.3788 8.73878 -165.097 -60.3801 -62.4799 -8.45828 -68.1288 267.81 PRESSAVG: 1346000 69.462 8.75384 -11.065 8.75379 -60.9624 39.6607 -11.065 39.6607 8.64891 GPRESSAVG: 1346000 69.8927 9.16747 -8.82594 6.38684 -61.2757 39.9063 -12.6541 40.4853 8.19089 TIMING: 1346000 CPU: 3909.59, 0.00293264/step Wall: 3909.59, 0.00293264/step, 2.97663 hours remaining, 205.285156 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: 1346000 758.0467 2098.9512 1966.5176 119.9447 -206553.7191 17911.3436 0.0000 0.0000 34235.9944 -149462.9209 298.9915 -183698.9153 -149365.8640 298.8882 53.2685 80.0981 557701.3367 5.7162 5.6026 PRESSURE: 1346200 -245.524 -121.465 -199.327 -121.464 -150.779 17.6921 -199.325 17.6925 -252.305 GPRESSURE: 1346200 -230.04 -100.102 -146.435 -139.936 -157.251 -81.1478 -166.43 92.6057 -169.378 PRESSAVG: 1346200 46.1937 -6.52632 -8.65592 -6.52625 -38.091 -0.880276 -8.65601 -0.8803 -19.3037 GPRESSAVG: 1346200 44.9078 -7.19256 -9.36729 -4.46946 -37.9958 -0.681014 -8.922 -1.4023 -18.5682 TIMING: 1346200 CPU: 3910.18, 0.00293367/step Wall: 3910.18, 0.00293367/step, 2.97752 hours remaining, 205.285156 MB of memory in use. ENERGY: 1346200 757.4118 2075.7305 1959.6250 115.9506 -206103.8589 17610.8560 0.0000 0.0000 34239.1286 -149345.1565 299.0188 -183584.2851 -149242.8177 298.3605 -216.2025 -185.5561 558734.0479 -3.7337 -3.8854 PRESSURE: 1346400 -135.453 -79.0825 21.3572 -79.0831 -165.462 -106.644 21.3573 -106.645 -98.9458 GPRESSURE: 1346400 -80.9254 -124.26 -21.4007 39.0135 -138.15 -51.7101 40.2251 -49.2786 -86.722 PRESSAVG: 1346400 -7.0261 -8.72346 4.97328 -8.72348 -12.1943 -32.9341 4.97327 -32.9341 -2.75118 GPRESSAVG: 1346400 -6.64774 -8.12741 3.16075 -8.95138 -11.8406 -33.7617 6.67262 -31.0252 -3.13548 TIMING: 1346400 CPU: 3910.76, 0.00292475/step Wall: 3910.76, 0.00292475/step, 2.9683 hours remaining, 205.285156 MB of memory in use. ENERGY: 1346400 750.6173 2061.3852 1944.2021 110.7819 -205889.4628 17382.9182 0.0000 0.0000 34278.8380 -149360.7201 299.3656 -183639.5581 -149268.7836 298.4428 -133.2869 -101.9324 557636.0027 -7.3238 -7.2079 PRESSURE: 1346600 167.503 -124.627 -200.077 -124.626 299.936 70.6455 -200.077 70.6449 53.3895 GPRESSURE: 1346600 227.993 -114.114 -144.289 -132.788 264.756 38.1066 -198.948 75.5452 110.326 PRESSAVG: 1346600 -8.71716 -43.3542 -36.2568 -43.3541 7.18442 9.99317 -36.2569 9.99325 -47.6662 GPRESSAVG: 1346600 -8.80429 -42.0372 -34.5384 -45.0554 5.80246 8.64243 -36.2376 8.61563 -46.9534 TIMING: 1346600 CPU: 3911.35, 0.00293218/step Wall: 3911.35, 0.00293218/step, 2.97567 hours remaining, 205.285156 MB of memory in use. ENERGY: 1346600 743.7361 2148.8610 1977.4999 109.1844 -206252.7563 17991.1131 0.0000 0.0000 34081.0175 -149201.3442 297.6380 -183282.3617 -149114.2989 298.7106 173.6097 201.0252 556330.7017 -16.3996 -16.6517 PRESSURE: 1346800 318.296 14.5077 -129.343 14.5085 218.323 10.7125 -129.344 10.7122 -204.144 GPRESSURE: 1346800 331.337 132.27 -169.648 -53.9113 270.345 93.7348 -78.9694 5.50284 -166.189 PRESSAVG: 1346800 50.5653 -25.1102 -39.1893 -25.1101 4.27841 -14.0205 -39.1893 -14.0204 -35.924 GPRESSAVG: 1346800 51.2665 -26.4749 -40.6111 -25.1145 4.34026 -11.4095 -39.6773 -13.2376 -36.6907 TIMING: 1346800 CPU: 3911.94, 0.00292598/step Wall: 3911.94, 0.00292598/step, 2.96922 hours remaining, 205.546875 MB of memory in use. ENERGY: 1346800 727.0852 2087.9453 1963.2087 106.3355 -206323.5524 17902.6925 0.0000 0.0000 34292.5375 -149243.7477 299.4853 -183536.2852 -149144.0184 298.7265 110.8251 145.1644 556905.3453 6.3066 6.3054 PRESSURE: 1347000 252.253 -19.6095 17.7769 -19.6104 -15.7224 125.636 17.7764 125.634 284.625 GPRESSURE: 1347000 312.491 -52.1934 27.5603 30.9489 -32.9023 114.77 -15.727 84.6998 346.801 PRESSAVG: 1347000 -26.7238 28.8401 8.02251 28.8401 -15.2558 28.8457 8.02262 28.8457 67.5934 GPRESSAVG: 1347000 -27.7059 28.6989 7.62496 31.8823 -15.0175 27.8088 6.88484 28.5124 68.1647 TIMING: 1347000 CPU: 3912.52, 0.00292142/step Wall: 3912.52, 0.00292142/step, 2.96443 hours remaining, 205.546875 MB of memory in use. ENERGY: 1347000 717.1345 2057.8969 1949.9426 122.3142 -206646.6141 18151.4118 0.0000 0.0000 34327.0720 -149320.8421 299.7869 -183647.9141 -149224.1726 299.2062 173.7185 208.7967 557738.6194 8.5379 8.4804 PRESSURE: 1347200 -403.576 -121.162 1.80864 -121.163 -248.127 -106.927 1.8091 -106.927 -262.851 GPRESSURE: 1347200 -427.869 -89.6526 15.7606 -27.3214 -208.437 -61.5462 -75.2449 -158.853 -175.063 PRESSAVG: 1347200 22.8616 -3.28172 26.1123 -3.2818 -16.7913 -1.22691 26.1123 -1.22695 -37.1129 GPRESSAVG: 1347200 24.2155 -0.994542 26.008 -7.3951 -16.7774 -1.35042 27.8489 -1.85154 -38.1922 TIMING: 1347200 CPU: 3913.1, 0.00288813/step Wall: 3913.1, 0.00288813/step, 2.93049 hours remaining, 205.546875 MB of memory in use. ENERGY: 1347200 737.4123 2106.0318 1999.1723 129.7381 -206148.1984 17511.8533 0.0000 0.0000 34393.2382 -149270.7525 300.3647 -183663.9906 -149167.8823 299.8318 -304.8513 -270.4563 559296.6511 -10.3475 -10.2514 PRESSURE: 1347400 81.3192 61.8982 92.9664 61.897 168.288 49.1992 92.9679 49.1986 -32.8327 GPRESSURE: 1347400 155.042 63.1014 71.8624 -4.25885 144.496 64.7448 21.5217 4.71515 13.1551 PRESSAVG: 1347400 65.4262 -13.1877 -16.6992 -13.1876 10.7466 -54.6748 -16.6993 -54.6749 -51.7395 GPRESSAVG: 1347400 64.3371 -14.0265 -16.345 -10.1703 10.9865 -54.8948 -17.041 -53.5314 -50.7258 TIMING: 1347400 CPU: 3913.68, 0.00291713/step Wall: 3913.68, 0.00291713/step, 2.95975 hours remaining, 205.546875 MB of memory in use. ENERGY: 1347400 754.5062 2054.6186 1980.1825 121.3017 -206622.7839 18062.8009 0.0000 0.0000 34323.9190 -149325.4549 299.7593 -183649.3739 -149228.9283 299.1143 72.2582 104.2308 557584.4777 8.1444 8.1992 PRESSURE: 1347600 16.1027 40.1972 -52.1921 40.199 203.633 34.3115 -52.191 34.3107 -129.41 GPRESSURE: 1347600 36.9023 3.73901 -56.5475 93.8079 220.771 6.83881 -66.1736 -21.0395 -75.859 PRESSAVG: 1347600 -41.5824 14.8288 -31.8403 14.8288 38.21 -6.80752 -31.8402 -6.80745 -3.49639 GPRESSAVG: 1347600 -40.6106 16.2116 -31.3466 12.5196 37.9489 -7.35065 -33.1793 -7.94966 -4.54831 TIMING: 1347600 CPU: 3914.26, 0.0029029/step Wall: 3914.26, 0.0029029/step, 2.94515 hours remaining, 205.546875 MB of memory in use. ENERGY: 1347600 776.5875 2094.0702 1977.4540 104.1936 -206442.9798 17955.5594 0.0000 0.0000 34217.8501 -149317.2651 298.8330 -183535.1152 -149221.7521 299.5282 30.1085 60.6048 557520.8636 -2.2896 -2.4033 PRESSURE: 1347800 -209.889 -152.981 34.837 -152.979 -97.3874 -15.6842 34.8368 -15.684 -119.13 GPRESSURE: 1347800 -133.366 -186.482 65.9786 -154.678 -98.0292 47.6264 58.4491 -119.562 -103.044 PRESSAVG: 1347800 54.8877 -31.2804 12.8928 -31.2804 68.8719 21.1093 12.8928 21.1093 -115.812 GPRESSAVG: 1347800 54.0298 -33.878 12.1503 -28.0451 68.2297 22.5981 11.7991 19.1929 -114.252 TIMING: 1347800 CPU: 3914.84, 0.00291083/step Wall: 3914.84, 0.00291083/step, 2.95304 hours remaining, 205.546875 MB of memory in use. ENERGY: 1347800 753.7161 2091.1885 1980.2818 111.9851 -205989.8589 17610.5706 0.0000 0.0000 34192.0975 -149250.0192 298.6081 -183442.1168 -149152.5039 298.9342 -142.1354 -111.4799 558212.7986 2.6491 2.6692 PRESSURE: 1348000 -66.9589 -46.6656 89.9118 -46.665 183.662 -110.066 89.9122 -110.065 144.3 GPRESSURE: 1348000 -35.4987 -68.8386 113.898 -25.0253 219.592 -145.066 59.2806 -111.874 170.644 PRESSAVG: 1348000 -24.8815 -38.9257 -0.951233 -38.9255 -7.34886 -20.77 -0.951284 -20.77 -10.8002 GPRESSAVG: 1348000 -24.7886 -38.2329 1.08003 -39.8996 -7.22894 -21.3873 0.849084 -19.4828 -10.9107 TIMING: 1348000 CPU: 3915.43, 0.00290934/step Wall: 3915.43, 0.00290934/step, 2.95136 hours remaining, 205.546875 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: 1348000 714.7060 2104.8047 1995.4054 108.9298 -206204.5332 17819.9535 0.0000 0.0000 34315.9524 -149144.7814 299.6897 -183460.7339 -149046.0716 299.4871 87.0011 118.2456 557118.1334 -14.3435 -14.3094 PRESSURE: 1348200 -203.14 91.0219 135.855 91.0227 -233.014 38.1972 135.856 38.1983 -184.601 GPRESSURE: 1348200 -170.043 83.9794 142.809 153.014 -209.326 -10.2692 79.6014 60.1696 -144.713 PRESSAVG: 1348200 -56.7565 5.36664 -25.6156 5.36665 72.4921 22.1613 -25.6155 22.1613 5.78651 GPRESSAVG: 1348200 -55.8891 6.08591 -26.6339 3.52484 72.0152 21.9652 -26.5086 22.9216 5.04628 TIMING: 1348200 CPU: 3916.01, 0.00292416/step Wall: 3916.01, 0.00292416/step, 2.96623 hours remaining, 205.546875 MB of memory in use. ENERGY: 1348200 753.8327 2125.2334 1969.5344 111.3927 -205759.1660 17408.8123 0.0000 0.0000 34222.1068 -149168.2537 298.8702 -183390.3605 -149069.8317 299.8260 -206.9183 -174.6936 557295.2529 7.1740 7.0575 LDB: ============= START OF LOAD BALANCING ============== 3919.48 LDB: ============== END OF LOAD BALANCING =============== 3919.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3919.48 LDB: ============= START OF LOAD BALANCING ============== 3919.78 LDB: Largest compute 4820 load 0.030982 is 26.3% of average load 0.117757 LDB: Average compute 0.001733 is 1.5% of average load 0.117757 LDB: TIME 3919.78 LOAD: AVG 0.117757 MAX 0.180032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.34 MB LDB: TIME 3919.78 LOAD: AVG 0.117757 MAX 0.180032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: TIME 3919.78 LOAD: AVG 0.117757 MAX 0.180032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3919.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3919.79 PRESSURE: 1348400 248.254 126.077 -69.0875 126.077 -160.429 -10.569 -69.0873 -10.5683 -31.4866 GPRESSURE: 1348400 261.825 53.7393 25.3736 149.838 -148.344 -41.5787 -224.029 -62.0441 36.0014 PRESSAVG: 1348400 -13.6422 32.6263 16.0695 32.6264 51.4987 -64.3614 16.0695 -64.3613 -27.7938 GPRESSAVG: 1348400 -14.4293 32.5529 14.3469 31.834 52.4988 -63.0088 16.9503 -64.9943 -27.6016 TIMING: 1348400 CPU: 3916.61, 0.00299467/step Wall: 3916.61, 0.00299467/step, 3.03759 hours remaining, 203.859375 MB of memory in use. ENERGY: 1348400 751.3645 2046.7515 1997.6722 119.6829 -206172.2235 17898.2566 0.0000 0.0000 34357.0629 -149001.4329 300.0488 -183358.4958 -148906.8460 299.3187 18.7794 49.8275 556507.6112 3.3542 3.4893 PRESSURE: 1348600 -26.7993 78.6005 244.61 78.5992 -58.5225 -17.252 244.611 -17.252 3.0266 GPRESSURE: 1348600 -9.78801 96.3564 226.643 88.937 -54.4339 -44.589 256.095 -82.3612 57.4636 PRESSAVG: 1348600 -23.4926 -39.4332 -26.473 -39.4332 21.1045 -51.2225 -26.4729 -51.2225 13.8947 GPRESSAVG: 1348600 -22.6161 -41.2073 -23.9301 -36.9951 20.6055 -50.9855 -24.8439 -53.1889 13.5133 TIMING: 1348600 CPU: 3917.19, 0.00291028/step Wall: 3917.19, 0.00291028/step, 2.95183 hours remaining, 204.062500 MB of memory in use. ENERGY: 1348600 738.8628 2109.3487 1956.5550 105.7392 -206118.8188 17821.1289 0.0000 0.0000 34299.0431 -149088.1410 299.5421 -183387.1841 -148987.1196 300.1516 -27.4317 -2.2528 556384.2351 3.8356 3.8342 PRESSURE: 1348800 0.593921 -129.554 -89.7211 -129.555 -188.032 -122.951 -89.7209 -122.952 71.3673 GPRESSURE: 1348800 39.6649 -1.78625 -59.8666 -255.448 -189.974 -208.669 -49.4521 -106.154 131.536 PRESSAVG: 1348800 12.7972 -20.6868 25.824 -20.6868 -22.6315 -38.5367 25.8241 -38.5369 6.68275 GPRESSAVG: 1348800 12.776 -17.9628 25.4618 -23.5206 -22.1978 -42.2184 24.1028 -35.1368 6.59245 TIMING: 1348800 CPU: 3917.77, 0.00288949/step Wall: 3917.77, 0.00288949/step, 2.93059 hours remaining, 204.062500 MB of memory in use. ENERGY: 1348800 769.3366 2112.0456 1963.4730 112.9462 -206000.7961 17648.4947 0.0000 0.0000 34356.3687 -149038.1312 300.0427 -183394.4999 -148952.5427 299.7734 -38.6902 -6.2575 557609.6517 -1.0505 -0.9431 PRESSURE: 1349000 -309.9 94.5242 -80.7809 94.5253 85.7973 18.1627 -80.7806 18.1623 -139.99 GPRESSURE: 1349000 -263.721 39.1273 -15.8399 99.8396 91.1874 -57.3924 -103.218 21.7031 -90.2404 PRESSAVG: 1349000 32.4295 -52.2206 47.3641 -52.2207 -28.2996 -43.1731 47.3641 -43.173 20.3502 GPRESSAVG: 1349000 32.2909 -52.9758 47.6828 -50.5581 -29.3632 -40.997 49.9823 -44.4853 21.3555 TIMING: 1349000 CPU: 3918.35, 0.00289099/step Wall: 3918.35, 0.00289099/step, 2.93195 hours remaining, 204.062500 MB of memory in use. ENERGY: 1349000 787.1932 2051.3838 1992.7174 120.7615 -206032.4655 17808.5667 0.0000 0.0000 34268.3459 -149003.4970 299.2740 -183271.8429 -148911.3270 299.4477 -121.3644 -87.5914 559754.9006 8.1600 8.0944 PRESSURE: 1349200 107.113 -28.7035 26.4935 -28.7049 -115.93 24.0765 26.4926 24.0754 97.4417 GPRESSURE: 1349200 190.417 -66.7825 39.5908 17.6047 -133.451 104.516 -41.617 55.0803 134.254 PRESSAVG: 1349200 25.3922 -0.368679 -2.63258 -0.368741 4.77549 -7.54453 -2.63261 -7.54445 -39.6027 GPRESSAVG: 1349200 25.6328 0.671926 -2.52588 -0.615117 5.56963 -5.18247 -5.15598 -9.0373 -40.6092 TIMING: 1349200 CPU: 3918.93, 0.00290424/step Wall: 3918.93, 0.00290424/step, 2.94523 hours remaining, 204.062500 MB of memory in use. ENERGY: 1349200 708.7462 2078.1514 1982.4766 105.7119 -206063.8386 17780.0483 0.0000 0.0000 34356.3859 -149052.3185 300.0429 -183408.7043 -148960.2588 299.5040 29.5417 63.7399 558814.6002 -3.1450 -3.1356 PRESSURE: 1349400 -175.509 62.6301 -70.197 62.6293 -81.6735 -93.6823 -70.1978 -93.681 -137.555 GPRESSURE: 1349400 -177.623 59.7636 -53.603 85.2963 -0.0260419 -56.5122 -46.1285 -99.4809 -112.541 PRESSAVG: 1349400 -62.0091 -36.7447 -8.65694 -36.7448 51.8978 -8.35736 -8.65688 -8.35761 10.2643 GPRESSAVG: 1349400 -63.2227 -38.1353 -10.8605 -35.728 52.3962 -10.5701 -5.22666 -7.58821 11.0237 TIMING: 1349400 CPU: 3919.51, 0.00292596/step Wall: 3919.51, 0.00292596/step, 2.96708 hours remaining, 204.062500 MB of memory in use. ENERGY: 1349400 717.6024 2102.7972 1963.3407 119.1956 -205566.3466 17547.0142 0.0000 0.0000 34132.9059 -148983.4905 298.0912 -183116.3964 -148885.8330 299.7729 -131.5794 -96.7301 556723.5979 0.0510 0.0658 PRESSURE: 1349600 -313.234 -76.9601 -125.834 -76.9609 -85.748 28.102 -125.834 28.1017 98.4706 GPRESSURE: 1349600 -324.014 -91.8857 -84.8274 -52.2302 -65.9793 35.3447 -103.815 18.399 187.132 PRESSAVG: 1349600 -26.62 34.5131 -30.9108 34.5131 7.06772 -28.7366 -30.9107 -28.7366 22.5247 GPRESSAVG: 1349600 -26.8974 37.2488 -28.8968 32.5453 8.05912 -27.7967 -33.4559 -28.851 20.8216 TIMING: 1349600 CPU: 3920.09, 0.00290058/step Wall: 3920.09, 0.00290058/step, 2.94118 hours remaining, 204.062500 MB of memory in use. ENERGY: 1349600 728.9012 2076.1038 1971.6259 106.8347 -205672.9890 17454.6162 0.0000 0.0000 34375.1756 -148959.7318 300.2070 -183334.9074 -148864.0778 299.2758 -100.1703 -67.6206 558686.8618 0.9908 0.6611 PRESSURE: 1349800 27.9439 -18.1291 -68.0756 -18.1296 -10.7991 -136.625 -68.0757 -136.624 67.764 GPRESSURE: 1349800 31.9668 12.2448 30.6924 7.79054 25.8635 -87.9336 -87.3694 -175.088 126.81 PRESSAVG: 1349800 -29.2859 35.616 12.5347 35.6161 16.904 61.4204 12.5347 61.4204 -14.4099 GPRESSAVG: 1349800 -28.5669 34.6833 12.4293 37.0041 15.8692 61.0473 12.4546 60.5407 -14.0887 TIMING: 1349800 CPU: 3920.67, 0.00288721/step Wall: 3920.67, 0.00288721/step, 2.92747 hours remaining, 204.062500 MB of memory in use. ENERGY: 1349800 747.5671 2038.0344 1941.4282 118.5192 -206161.6985 18002.8583 0.0000 0.0000 34220.4898 -149092.8016 298.8560 -183313.2913 -148999.4869 298.9384 28.3029 61.5467 558037.7300 -8.9306 -8.9288 PRESSURE: 1350000 -251.535 15.2739 -79.3109 15.2734 -5.53508 -127.753 -79.3106 -127.753 -108.454 GPRESSURE: 1350000 -188.282 57.19 -116.558 44.3282 16.0839 -139.299 -72.3064 -102.25 -83.0705 PRESSAVG: 1350000 -63.9101 10.961 -29.8351 10.961 74.3253 -21.524 -29.8351 -21.524 -22.6627 GPRESSAVG: 1350000 -64.9476 10.4374 -30.7198 10.9603 73.3656 -22.0149 -31.2459 -22.0412 -20.68 TIMING: 1350000 CPU: 3921.26, 0.00292909/step Wall: 3921.26, 0.00292909/step, 2.96977 hours remaining, 204.062500 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: 1350000 740.9974 1983.6490 1954.7452 102.7597 -205920.9709 17633.8258 0.0000 0.0000 34322.3853 -149182.6084 299.7459 -183504.9937 -149091.4654 299.2113 -121.8412 -85.0896 558280.3986 -4.0825 -4.0873 PRESSURE: 1350200 -244.04 -171.346 -1.18559 -171.346 243.223 -205.353 -1.18594 -205.352 -116.225 GPRESSURE: 1350200 -249.637 -70.102 -59.8532 -131.978 352.417 -169.589 30.1206 -225.504 -139.126 PRESSAVG: 1350200 9.652 19.0574 26.2014 19.0574 53.1344 -31.7983 26.2015 -31.7983 -31.4214 GPRESSAVG: 1350200 9.55642 18.8265 27.2968 20.2026 54.1208 -31.5016 26.1554 -30.8768 -32.5448 TIMING: 1350200 CPU: 3921.85, 0.00294084/step Wall: 3921.85, 0.00294084/step, 2.98152 hours remaining, 204.062500 MB of memory in use. ENERGY: 1350200 736.0012 2031.6189 1949.3650 122.3610 -205806.6933 17790.0202 0.0000 0.0000 34086.0289 -149091.2981 297.6818 -183177.3270 -148994.1796 299.1292 -39.0141 -12.1152 559386.5408 10.4550 10.3774 PRESSURE: 1350400 191.284 129.311 -92.2722 129.31 -199.178 -67.4647 -92.2717 -67.4645 312.709 GPRESSURE: 1350400 198.805 184.04 9.94406 78.1494 -151.228 -52.2992 -179.59 -41.4626 343.265 PRESSAVG: 1350400 30.9028 -32.0611 -51.0639 -32.061 -52.6865 -17.1128 -51.0639 -17.1128 19.2879 GPRESSAVG: 1350400 32.3264 -34.1104 -51.1688 -32.3883 -53.7275 -19.1076 -51.0134 -17.6127 19.0536 TIMING: 1350400 CPU: 3922.43, 0.00291971/step Wall: 3922.43, 0.00291971/step, 2.95994 hours remaining, 204.207031 MB of memory in use. ENERGY: 1350400 770.9220 2081.0935 1949.9945 115.5760 -206180.5343 18086.7437 0.0000 0.0000 34139.9735 -149036.2312 298.1529 -183176.2046 -148939.9273 298.5241 101.6046 130.2806 558873.6232 -0.8319 -0.7825 PRESSURE: 1350600 96.3054 101.245 -66.8252 101.247 -458.534 -30.7031 -66.8242 -30.7034 -188.976 GPRESSURE: 1350600 116.235 147.028 -6.66325 132.689 -382.729 -71.7744 -107.099 -86.7207 -196.408 PRESSAVG: 1350600 -29.4796 31.3114 -21.236 31.3114 -8.40594 -21.0313 -21.236 -21.0312 35.8985 GPRESSAVG: 1350600 -29.5309 33.5803 -21.2867 27.9766 -7.73353 -18.6018 -20.3475 -20.0832 35.3815 TIMING: 1350600 CPU: 3923.01, 0.00290071/step Wall: 3923.01, 0.00290071/step, 2.94052 hours remaining, 204.207031 MB of memory in use. ENERGY: 1350600 725.7477 2073.0905 1950.4844 115.9003 -205576.6627 17512.6853 0.0000 0.0000 34137.9785 -149060.7759 298.1355 -183198.7544 -148967.3287 299.2074 -183.7347 -154.3007 559366.9791 -0.6624 -0.6277 PRESSURE: 1350800 159.859 -57.8446 -81.1914 -57.8451 -132.673 -72.7207 -81.1915 -72.7203 -40.6954 GPRESSURE: 1350800 147.461 51.1379 -27.6835 -86.4529 -17.5266 -42.6361 -91.818 -99.3323 -43.0549 PRESSAVG: 1350800 -8.15298 1.03875 -41.6291 1.03866 -107.652 -59.0375 -41.6292 -59.0375 92.2269 GPRESSAVG: 1350800 -8.20036 2.1595 -42.8244 3.09118 -107.085 -57.3811 -39.9645 -60.3858 91.4367 TIMING: 1350800 CPU: 3923.59, 0.00291566/step Wall: 3923.59, 0.00291566/step, 2.95551 hours remaining, 204.207031 MB of memory in use. ENERGY: 1350800 722.3302 2079.4440 1951.8972 112.0578 -205936.4060 17760.3975 0.0000 0.0000 34356.5239 -148953.7553 300.0441 -183310.2792 -148855.2598 299.7498 -4.5029 28.9599 557376.3099 -7.8595 -7.9494 PRESSURE: 1351000 237.219 -101.935 50.8965 -101.936 196.519 -26.0823 50.898 -26.0826 252.922 GPRESSURE: 1351000 284.792 -117.934 66.6822 -67.4679 229.097 -7.11732 74.6421 -73.1193 275.933 PRESSAVG: 1351000 -23.246 -33.5926 -35.4329 -33.5928 -4.00654 -9.52779 -35.4329 -9.52778 3.02151 GPRESSAVG: 1351000 -23.7948 -35.8506 -33.9129 -32.7457 -5.34999 -12.8204 -37.6471 -6.72674 4.80627 TIMING: 1351000 CPU: 3924.18, 0.00291251/step Wall: 3924.18, 0.00291251/step, 2.95216 hours remaining, 204.207031 MB of memory in use. ENERGY: 1351000 698.2221 2043.4410 1970.4500 121.4831 -206414.3378 18055.0018 0.0000 0.0000 34581.2718 -148944.4681 302.0068 -183525.7399 -148846.1844 300.7318 228.8865 263.2738 555566.1246 -8.0770 -8.1128 PRESSURE: 1351200 14.4818 128.99 80.431 128.989 -169.292 -222.1 80.4324 -222.1 -116.681 GPRESSURE: 1351200 38.8734 87.8136 85.6943 93.8369 -125.749 -229.97 22.3641 -247.162 -102.761 PRESSAVG: 1351200 -65.5821 -3.99804 40.2985 -3.99817 6.98512 -13.4079 40.2985 -13.408 49.4657 GPRESSAVG: 1351200 -65.324 -1.83686 39.6383 -6.32643 7.08 -10.8133 42.8672 -14.9111 48.5687 TIMING: 1351200 CPU: 3924.76, 0.00290405/step Wall: 3924.76, 0.00290405/step, 2.94342 hours remaining, 204.207031 MB of memory in use. ENERGY: 1351200 739.3833 2083.0200 1970.2911 97.2409 -205690.7344 17626.9287 0.0000 0.0000 34420.2828 -148753.5875 300.6009 -183173.8703 -148647.9718 300.0467 -90.4972 -63.2122 558227.9337 -3.0438 -3.2251 PRESSURE: 1351400 171.101 -98.4822 -189.339 -98.4823 -61.0371 224.486 -189.338 224.486 -10.898 GPRESSURE: 1351400 258.283 16.561 -216.687 -49.8845 -74.1534 160.869 -152.303 236.806 14.3116 PRESSAVG: 1351400 -0.368832 -46.7443 10.4709 -46.7443 8.46709 -94.2659 10.4709 -94.2659 11.8167 GPRESSAVG: 1351400 -1.62918 -47.9248 11.4004 -45.7652 8.70031 -96.2989 9.28002 -92.5257 12.6835 TIMING: 1351400 CPU: 3925.34, 0.00292389/step Wall: 3925.34, 0.00292389/step, 2.96337 hours remaining, 204.207031 MB of memory in use. ENERGY: 1351400 756.7611 2054.6751 1963.3828 114.8708 -205873.3725 17735.6488 0.0000 0.0000 34495.6701 -148752.3640 301.2593 -183248.0340 -148645.5567 300.2203 33.0552 66.1472 557376.0536 6.6383 6.5849 PRESSURE: 1351600 122.04 74.5364 141.669 74.537 31.6513 6.27781 141.671 6.27897 -356.385 GPRESSURE: 1351600 142.9 57.2625 103.519 151.409 36.6137 1.51367 191.977 -59.9967 -288.911 PRESSAVG: 1351600 32.4884 -19.3344 21.736 -19.3344 0.788354 -18.3546 21.736 -18.3545 -17.3406 GPRESSAVG: 1351600 32.8133 -18.6164 19.5707 -19.3673 1.23689 -16.5502 21.4372 -19.7034 -18.3555 TIMING: 1351600 CPU: 3925.92, 0.00290323/step Wall: 3925.92, 0.00290323/step, 2.94226 hours remaining, 204.207031 MB of memory in use. ENERGY: 1351600 748.6643 2124.3009 1990.8077 127.2666 -205641.5005 17441.4799 0.0000 0.0000 34448.4080 -148760.5731 300.8465 -183208.9811 -148660.7442 300.1920 -67.5646 -36.4658 557592.1219 5.3121 5.2316 PRESSURE: 1351800 -90.2199 -53.1734 38.8893 -53.174 -309.417 -133.226 38.8897 -133.227 -88.9352 GPRESSURE: 1351800 -101.643 -22.5172 96.6047 -48.3952 -263.485 -158.291 -6.55765 -108.951 -30.8689 PRESSAVG: 1351800 6.2508 -24.6754 52.9131 -24.6754 21.7313 11.3876 52.9131 11.3878 -40.4484 GPRESSAVG: 1351800 6.25038 -24.5002 53.7466 -23.763 22.9904 11.1202 52.5566 11.1161 -41.4286 TIMING: 1351800 CPU: 3926.51, 0.00291627/step Wall: 3926.51, 0.00291627/step, 2.95531 hours remaining, 204.207031 MB of memory in use. ENERGY: 1351800 772.0034 2082.4318 1986.2315 117.7745 -205552.0973 17448.3098 0.0000 0.0000 34184.1020 -148961.2443 298.5383 -183145.3464 -148860.5556 300.0534 -162.8573 -131.9991 557165.7215 -4.1554 -4.0626 PRESSURE: 1352000 -82.3805 -21.6033 134.032 -21.6029 -260.293 205.453 134.032 205.453 -391.048 GPRESSURE: 1352000 -80.547 -15.3252 79.542 -34.1761 -158.418 287.809 15.825 199.675 -401.251 PRESSAVG: 1352000 10.8852 48.6831 -30.5881 48.6832 -30.6972 19.8461 -30.5881 19.846 -8.91747 GPRESSAVG: 1352000 11.2197 49.4859 -31.9024 47.3934 -31.5799 19.1972 -29.9145 18.2903 -8.35647 TIMING: 1352000 CPU: 3927.08, 0.0028984/step Wall: 3927.08, 0.0028984/step, 2.93705 hours remaining, 204.207031 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: 1352000 738.1421 2126.2167 1981.8232 118.5138 -205783.0880 17411.6822 0.0000 0.0000 34380.5771 -149026.1328 300.2541 -183406.7099 -148930.7845 299.7362 -244.5738 -213.4055 557894.3752 -9.5765 -9.5722 PRESSURE: 1352200 76.3498 -70.0058 -100.053 -70.0057 216.635 65.195 -100.053 65.194 154.366 GPRESSURE: 1352200 109.529 -170.033 -125.51 72.9899 230.559 33.145 -44.3334 38.872 200.001 PRESSAVG: 1352200 29.8727 -37.8561 -35.3942 -37.856 3.71406 67.6342 -35.3942 67.6341 15.5029 GPRESSAVG: 1352200 29.8745 -40.8482 -35.0282 -36.3573 3.25331 68.0911 -35.1528 68.3158 15.9725 TIMING: 1352200 CPU: 3927.66, 0.00289658/step Wall: 3927.66, 0.00289658/step, 2.93504 hours remaining, 204.207031 MB of memory in use. ENERGY: 1352200 724.8174 2120.7959 1946.2347 119.5362 -206368.2072 17994.2626 0.0000 0.0000 34357.2716 -149105.2890 300.0506 -183462.5605 -149010.0193 300.0135 149.1168 180.0299 557240.3945 16.3632 16.3668 LDB: ============= START OF LOAD BALANCING ============== 3931.13 LDB: ============== END OF LOAD BALANCING =============== 3931.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3931.13 LDB: ============= START OF LOAD BALANCING ============== 3931.42 LDB: Largest compute 4820 load 0.031083 is 26.4% of average load 0.117646 LDB: Average compute 0.001736 is 1.5% of average load 0.117646 LDB: TIME 3931.43 LOAD: AVG 0.117646 MAX 0.178011 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.082 MB LDB: TIME 3931.43 LOAD: AVG 0.117646 MAX 0.178011 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.176 MB LDB: TIME 3931.43 LOAD: AVG 0.117646 MAX 0.178011 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3931.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3931.43 PRESSURE: 1352400 -257.934 -103.391 81.8349 -103.391 54.9789 65.5418 81.8349 65.5404 146.027 GPRESSURE: 1352400 -195.36 -131.961 4.35762 -117.249 76.2722 -22.1001 81.3078 184.281 145.705 PRESSAVG: 1352400 35.8074 23.3604 8.09186 23.3603 -94.281 4.70803 8.09194 4.7082 58.708 GPRESSAVG: 1352400 35.1429 23.2964 8.12343 22.9043 -93.4908 4.18663 6.95417 5.10161 58.6435 TIMING: 1352400 CPU: 3928.26, 0.00296894/step Wall: 3928.26, 0.00296894/step, 3.0082 hours remaining, 204.628906 MB of memory in use. ENERGY: 1352400 726.8485 2139.5291 1949.6023 114.5705 -206224.3007 17755.9261 0.0000 0.0000 34385.5024 -149152.3219 300.2971 -183537.8242 -149057.6119 299.3637 -18.9762 8.8724 557039.7270 0.0781 0.0985 PRESSURE: 1352600 -68.7992 -65.2362 -55.8438 -65.2353 215.354 78.5663 -55.8438 78.5655 -117.737 GPRESSURE: 1352600 -48.0136 -19.0323 -38.3625 -51.8889 190.654 31.8157 -69.3721 103.115 -13.5469 PRESSAVG: 1352600 -53.4682 -48.6469 0.305786 -48.6468 44.4488 12.6556 0.305834 12.6556 -42.8229 GPRESSAVG: 1352600 -52.778 -47.9655 -0.443162 -49.7993 43.5925 12.1662 1.36356 11.421 -42.8275 TIMING: 1352600 CPU: 3928.84, 0.00290502/step Wall: 3928.84, 0.00290502/step, 2.94327 hours remaining, 204.667969 MB of memory in use. ENERGY: 1352600 769.6707 2079.7712 1966.4366 117.1377 -206119.2877 17860.6739 0.0000 0.0000 34281.1790 -149044.4186 299.3861 -183325.5976 -148948.9723 299.3894 9.6058 43.0311 557978.8261 -17.2808 -17.3377 PRESSURE: 1352800 -32.1141 -220.367 121.431 -220.367 -47.4695 -201.271 121.43 -201.271 70.6142 GPRESSURE: 1352800 46.9394 -201.488 111.207 -208.973 -59.7554 -108.845 173.739 -260.735 107.446 PRESSAVG: 1352800 -60.1736 -19.8661 -24.5491 -19.8661 94.0729 -13.9363 -24.549 -13.9363 -10.5122 GPRESSAVG: 1352800 -59.1959 -17.6358 -23.3872 -18.5676 94.9374 -15.1706 -24.1203 -12.423 -12.4044 TIMING: 1352800 CPU: 3929.42, 0.00288098/step Wall: 3929.42, 0.00288098/step, 2.91875 hours remaining, 204.960938 MB of memory in use. ENERGY: 1352800 761.8297 2087.0968 1960.5322 116.8792 -206016.6165 17797.3816 0.0000 0.0000 34147.5529 -149145.3440 298.2191 -183292.8969 -149057.0636 299.7152 -2.9898 31.5432 557631.7623 7.7957 7.7790 PRESSURE: 1353000 -13.1577 81.6353 71.1888 81.6341 -66.3777 -168.767 71.189 -168.769 -245.721 GPRESSURE: 1353000 63.9467 45.713 -27.1014 -29.7793 -71.9873 -238.087 115.849 -93.0654 -219.858 PRESSAVG: 1353000 8.12542 -37.4156 11.325 -37.4156 -13.1381 -6.50944 11.3249 -6.50936 -12.0498 GPRESSAVG: 1353000 7.13336 -39.6823 11.0429 -36.864 -13.4595 -2.38619 9.86023 -8.20381 -10.7124 TIMING: 1353000 CPU: 3929.99, 0.00288179/step Wall: 3929.99, 0.00288179/step, 2.91941 hours remaining, 205.027344 MB of memory in use. ENERGY: 1353000 733.9741 2059.3417 1975.8523 111.4940 -206068.9592 17735.4591 0.0000 0.0000 34342.3979 -149110.4400 299.9207 -183452.8379 -149011.9181 299.4878 -108.4187 -75.9661 557939.1213 -5.6875 -5.6795 PRESSURE: 1353200 -54.7911 6.99162 -133.23 6.99127 60.4091 116.028 -133.23 116.029 -194.722 GPRESSURE: 1353200 -25.5709 -58.9493 -109.309 42.79 62.5591 59.6724 -142.943 144.132 -127.596 PRESSAVG: 1353200 37.9808 -29.3141 29.6312 -29.314 -10.8314 16.4551 29.6311 16.4551 -31.8955 GPRESSAVG: 1353200 37.4048 -29.5795 30.8854 -27.8884 -10.9247 12.9729 27.8784 19.3784 -31.2717 TIMING: 1353200 CPU: 3930.57, 0.00290472/step Wall: 3930.57, 0.00290472/step, 2.94248 hours remaining, 205.027344 MB of memory in use. ENERGY: 1353200 735.0556 2111.2570 1971.1601 125.5462 -206051.6460 17753.9620 0.0000 0.0000 34189.3595 -149165.3056 298.5842 -183354.6651 -149069.2913 298.8408 -63.0347 -30.2027 559064.7686 -1.5821 -1.5972 PRESSURE: 1353400 167.74 -12.3002 28.2445 -12.2995 114.151 14.4784 28.2436 14.4802 229.831 GPRESSURE: 1353400 179.101 -0.570847 -17.9128 -116.891 192.815 84.5111 51.1212 8.37014 249.358 PRESSAVG: 1353400 3.23671 -7.57401 12.7545 -7.57403 -39.6219 63.8304 12.7545 63.8304 48.4466 GPRESSAVG: 1353400 4.5553 -7.08722 11.4758 -10.2082 -41.5019 64.3642 15.2721 61.7229 48.7257 TIMING: 1353400 CPU: 3931.15, 0.00291229/step Wall: 3931.15, 0.00291229/step, 2.94999 hours remaining, 205.027344 MB of memory in use. ENERGY: 1353400 724.2883 2080.3739 1960.0389 106.9031 -206083.9335 17944.5623 0.0000 0.0000 34370.7528 -148897.0143 300.1683 -183267.7671 -148798.4903 299.5712 170.5740 207.0913 557561.8287 4.0204 3.9264 PRESSURE: 1353600 179.38 96.729 -82.3824 96.7311 141.07 114.665 -82.3816 114.664 114.839 GPRESSURE: 1353600 229.564 64.9761 -53.6067 156.673 186.354 62.5498 31.6006 126.032 108.168 PRESSAVG: 1353600 -33.9519 -61.2794 -9.31576 -61.2794 59.3534 32.7108 -9.31589 32.7107 -13.4735 GPRESSAVG: 1353600 -34.8021 -60.1479 -8.19401 -61.0611 61.2527 33.9527 -10.0207 34.3141 -14.4469 TIMING: 1353600 CPU: 3931.74, 0.00290828/step Wall: 3931.74, 0.00290828/step, 2.94576 hours remaining, 205.027344 MB of memory in use. ENERGY: 1353600 751.3240 2152.7919 1972.9437 109.3158 -206297.7451 18075.8386 0.0000 0.0000 34415.0453 -148820.4859 300.5551 -183235.5311 -148719.5356 300.7225 145.0965 174.6954 556268.2286 3.9760 4.0012 PRESSURE: 1353800 -316.757 -66.1625 -56.651 -66.1629 74.123 20.0295 -56.6505 20.0293 281.079 GPRESSURE: 1353800 -260.846 -51.8254 -12.8431 -103.159 105.454 -77.9356 -46.6698 45.7958 274.031 PRESSAVG: 1353800 9.14149 -13.3109 14.6532 -13.3108 6.70164 -37.0213 14.6533 -37.0213 46.4667 GPRESSAVG: 1353800 10.3818 -15.3846 14.8592 -11.2425 6.70463 -37.772 15.9329 -38.8265 45.4124 TIMING: 1353800 CPU: 3932.32, 0.00290763/step Wall: 3932.32, 0.00290763/step, 2.94494 hours remaining, 205.027344 MB of memory in use. ENERGY: 1353800 737.3780 2122.8869 2004.1766 107.4621 -205916.7646 17606.0531 0.0000 0.0000 34598.9192 -148739.8886 302.1610 -183338.8078 -148636.0089 300.2008 12.8152 39.5462 556896.0092 20.7699 20.8330 PRESSURE: 1354000 -41.7662 21.9343 -6.51512 21.934 -68.7219 47.5528 -6.51493 47.5526 -25.5444 GPRESSURE: 1354000 -22.7271 73.8709 -3.33001 -50.2905 -28.032 5.46697 -12.7641 1.4969 15.6136 PRESSAVG: 1354000 -32.995 -7.46542 10.4257 -7.4655 126.428 2.94584 10.4258 2.94582 -64.3507 GPRESSAVG: 1354000 -33.9766 -5.4842 7.82971 -8.41866 125.574 1.83351 8.63854 4.14428 -62.4752 TIMING: 1354000 CPU: 3932.9, 0.00290081/step Wall: 3932.9, 0.00290081/step, 2.93787 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1354000 698.8418 2126.8979 1972.2865 120.8813 -205435.6572 17524.4898 0.0000 0.0000 34331.7616 -148660.4983 299.8278 -182992.2599 -148552.6446 300.7493 -45.3442 -11.7152 559149.5552 9.6941 9.7074 PRESSURE: 1354200 75.5448 -61.4099 67.3266 -61.4089 -189.297 -114.378 67.3272 -114.377 115.042 GPRESSURE: 1354200 84.6663 -74.8381 42.4128 -21.5665 -120.985 -169.307 94.4657 -9.72662 134.203 PRESSAVG: 1354200 65.1984 24.9528 -54.5591 24.9528 3.24424 -68.5309 -54.559 -68.5309 -38.5407 GPRESSAVG: 1354200 64.902 25.3488 -51.9164 23.8586 3.9741 -68.3803 -55.2779 -68.1058 -39.8203 TIMING: 1354200 CPU: 3933.49, 0.00295918/step Wall: 3933.49, 0.00295918/step, 2.99683 hours remaining, 205.027344 MB of memory in use. ENERGY: 1354200 764.0626 2117.1261 1975.3140 118.1310 -205990.8435 17847.4316 0.0000 0.0000 34502.4349 -148666.3432 301.3183 -183168.7782 -148570.2840 300.6359 0.4299 32.6280 557562.7077 9.9673 9.6853 PRESSURE: 1354400 -121.142 68.305 130.328 68.3047 -281.807 -58.1724 130.328 -58.1728 162.659 GPRESSURE: 1354400 -69.8814 130.002 117.06 42.2248 -262.248 -65.2559 54.6388 -54.039 187.921 PRESSAVG: 1354400 -3.69229 0.933959 20.4246 0.933949 17.7998 -13.4819 20.4247 -13.4819 -37.797 GPRESSAVG: 1354400 -2.71288 3.13181 19.712 0.731725 17.8592 -14.669 19.714 -14.5009 -38.7299 TIMING: 1354400 CPU: 3934.08, 0.00293539/step Wall: 3934.08, 0.00293539/step, 2.97257 hours remaining, 205.027344 MB of memory in use. ENERGY: 1354400 753.9750 2152.1599 1978.5807 131.0759 -205781.4552 17512.9908 0.0000 0.0000 34536.1622 -148716.5108 301.6129 -183252.6729 -148622.1531 300.6570 -80.0968 -48.0695 555941.4473 -7.8965 -7.8612 PRESSURE: 1354600 0.0988775 -103.01 130.155 -103.009 -89.1857 157.102 130.155 157.103 1.19885 GPRESSURE: 1354600 11.9137 -148.2 147.629 -102.235 -65.2714 96.2496 39.6174 306.027 57.497 PRESSAVG: 1354600 49.5712 -21.0625 38.756 -21.0624 -0.699576 55.0431 38.7559 55.0432 -29.1746 GPRESSAVG: 1354600 48.8882 -25.4387 38.6837 -19.4909 -1.62827 56.9985 41.1653 57.2543 -27.7927 TIMING: 1354600 CPU: 3934.66, 0.00291566/step Wall: 3934.66, 0.00291567/step, 2.95243 hours remaining, 205.027344 MB of memory in use. ENERGY: 1354600 757.0750 2079.1688 1987.0559 114.0255 -205769.4874 17702.3561 0.0000 0.0000 34359.9186 -148769.8873 300.0737 -183129.8060 -148671.3323 301.3041 -29.2960 1.3797 557393.3503 6.5657 6.4891 PRESSURE: 1354800 -168.811 52.1721 -44.3175 52.1732 -56.3862 -113.996 -44.3165 -113.997 -74.7413 GPRESSURE: 1354800 -151.962 44.6374 -42.4523 107.864 -11.6306 -73.2801 35.245 -109.804 -35.4633 PRESSAVG: 1354800 3.64177 11.1896 -8.33371 11.1896 22.1067 -33.4437 -8.33362 -33.4436 1.98989 GPRESSAVG: 1354800 4.10769 13.5513 -9.31211 8.79759 21.7986 -32.8875 -7.26314 -35.8832 1.95749 TIMING: 1354800 CPU: 3935.24, 0.00291022/step Wall: 3935.24, 0.00291022/step, 2.94676 hours remaining, 205.027344 MB of memory in use. ENERGY: 1354800 762.0193 2092.6613 1993.5467 108.1378 -205589.8081 17481.9583 0.0000 0.0000 34336.6490 -148814.8359 299.8705 -183151.4849 -148726.6012 300.3763 -99.9796 -66.3521 557496.8661 9.2461 9.2879 PRESSURE: 1355000 249.037 87.5294 62.8592 87.5278 -153.379 186.152 62.8608 186.152 -134.605 GPRESSURE: 1355000 241.655 97.2007 36.0235 37.9519 -66.6396 198.389 84.9624 181.635 -115.279 PRESSAVG: 1355000 70.3436 1.87735 -37.9822 1.87738 -26.8509 20.283 -37.9821 20.2829 0.996113 GPRESSAVG: 1355000 69.4833 2.35651 -34.0257 3.68178 -27.0457 20.1509 -42.4188 20.4486 1.84065 TIMING: 1355000 CPU: 3935.83, 0.00292233/step Wall: 3935.83, 0.00292233/step, 2.95886 hours remaining, 205.027344 MB of memory in use. ENERGY: 1355000 745.4783 2079.1409 1986.0464 112.8309 -205752.7222 17623.8695 0.0000 0.0000 34333.4765 -148871.8797 299.8428 -183205.3562 -148772.3235 299.5725 -12.9825 19.9123 557378.7737 14.8296 14.7594 PRESSURE: 1355200 -260.376 -63.3665 -126.362 -63.3671 -101.842 45.2502 -126.364 45.2498 -93.2072 GPRESSURE: 1355200 -165.625 -69.6073 -78.6482 -12.0033 -128.565 -35.6172 -183.962 124.116 -77.713 PRESSAVG: 1355200 -43.9134 9.17592 32.6699 9.17605 62.8887 61.5245 32.6699 61.5245 -17.1195 GPRESSAVG: 1355200 -43.4559 10.2514 29.6896 7.71434 63.5591 62.6423 36.7188 60.366 -18.6358 TIMING: 1355200 CPU: 3936.41, 0.00294097/step Wall: 3936.41, 0.00294097/step, 2.97757 hours remaining, 205.027344 MB of memory in use. ENERGY: 1355200 751.2476 2136.4334 1950.9557 109.5922 -205626.9318 17366.8650 0.0000 0.0000 34389.2122 -148922.6257 300.3295 -183311.8379 -148828.6966 299.9204 -151.8084 -123.9677 557251.6467 0.6186 0.4892 PRESSURE: 1355400 -93.5772 147.392 28.1123 147.393 76.1706 102.987 28.1133 102.985 -87.7324 GPRESSURE: 1355400 -31.1949 118.667 14.449 91.2914 97.3381 72.178 60.6423 138.19 -73.0366 PRESSAVG: 1355400 20.8122 -7.77938 -7.4638 -7.77936 50.4422 -17.1249 -7.46393 -17.1248 -24.9555 GPRESSAVG: 1355400 20.8551 -7.58031 -6.0239 -7.34787 50.4932 -18.9912 -6.70989 -17.3888 -25.547 TIMING: 1355400 CPU: 3937, 0.00291841/step Wall: 3937, 0.0029184/step, 2.95456 hours remaining, 205.027344 MB of memory in use. ENERGY: 1355400 755.0329 2087.1825 1973.5594 108.9045 -205676.1383 17667.9668 0.0000 0.0000 34146.2152 -148937.2770 298.2074 -183083.4922 -148845.7821 300.2329 -35.0463 -2.2978 557746.1782 15.4330 15.2671 PRESSURE: 1355600 166.522 -35.8493 -182.075 -35.8496 -77.3649 73.5827 -182.074 73.5816 -37.7719 GPRESSURE: 1355600 213.486 -37.2217 -137.324 -92.7209 -76.4077 67.0763 -213.028 58.292 0.271128 PRESSAVG: 1355600 -7.69724 -42.2437 18.9011 -42.2439 19.8671 -9.60165 18.9013 -9.60179 -60.1105 GPRESSAVG: 1355600 -7.77641 -43.8368 17.3811 -42.5679 19.5589 -8.23117 16.872 -8.54455 -60.2325 TIMING: 1355600 CPU: 3937.58, 0.00292978/step Wall: 3937.58, 0.00292978/step, 2.96592 hours remaining, 205.027344 MB of memory in use. ENERGY: 1355600 763.6265 2103.8411 1974.6343 124.5434 -205974.7194 17795.4677 0.0000 0.0000 34427.6146 -148784.9917 300.6649 -183212.6064 -148688.2494 301.1270 17.1285 45.7833 556358.0359 -15.9802 -16.1500 PRESSURE: 1355800 -51.7899 37.3028 22.2527 37.3036 161.368 -40.3117 22.2531 -40.3129 -396.032 GPRESSURE: 1355800 -85.986 40.3032 -124.837 -14.3555 207.651 -76.8296 46.2562 -5.01237 -309.467 PRESSAVG: 1355800 -34.3615 -46.0673 1.65197 -46.0673 -20.4816 -2.89289 1.65206 -2.8928 35.2575 GPRESSAVG: 1355800 -33.7245 -45.0348 1.04955 -46.6317 -20.435 -4.32991 0.650856 -2.42251 35.427 TIMING: 1355800 CPU: 3938.17, 0.00293087/step Wall: 3938.17, 0.00293087/step, 2.96685 hours remaining, 205.027344 MB of memory in use. ENERGY: 1355800 749.7793 2152.7555 1949.4342 104.0493 -205967.0108 17839.5433 0.0000 0.0000 34324.6270 -148846.8221 299.7655 -183171.4491 -148743.4855 300.9639 -95.4845 -62.6008 558699.1044 -6.5285 -6.2441 PRESSURE: 1356000 90.892 -37.2886 57.9857 -37.2879 -110.512 112.16 57.9873 112.16 160.758 GPRESSURE: 1356000 119.113 11.7959 7.64409 57.9119 -76.4904 92.8669 72.4309 80.5645 193.557 PRESSAVG: 1356000 35.7424 -49.7178 82.2803 -49.7179 -47.6787 9.47924 82.2802 9.47924 41.0032 GPRESSAVG: 1356000 35.7643 -49.434 82.7486 -48.4737 -47.1508 6.92697 84.4019 10.3284 40.4316 TIMING: 1356000 CPU: 3938.76, 0.00292709/step Wall: 3938.76, 0.00292709/step, 2.96287 hours remaining, 205.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1356000 751.4168 2039.8889 1967.3101 117.8244 -206222.0697 17919.5130 0.0000 0.0000 34616.9664 -148809.1501 302.3186 -183426.1165 -148717.4466 300.3221 47.0459 78.7264 557601.4706 9.6890 9.6817 PRESSURE: 1356200 -3.85678 -12.1906 -41.4233 -12.1898 -320.387 144.339 -41.4242 144.339 72.4994 GPRESSURE: 1356200 29.0337 59.6237 61.3059 -73.4239 -297.475 140.882 -41.5457 171.237 101.107 PRESSAVG: 1356200 -7.34271 -18.2486 50.8079 -18.2486 -32.946 3.11383 50.8079 3.11386 -11.8194 GPRESSAVG: 1356200 -8.76974 -18.8595 50.0722 -19.142 -33.0924 5.45625 50.3814 1.87148 -10.4424 TIMING: 1356200 CPU: 3939.34, 0.00291867/step Wall: 3939.34, 0.00291867/step, 2.95418 hours remaining, 205.027344 MB of memory in use. ENERGY: 1356200 768.2509 2100.6520 1963.0850 109.0026 -205759.2207 17727.1621 0.0000 0.0000 34280.2754 -148810.7927 299.3782 -183091.0681 -148714.0084 299.8794 -83.9149 -55.7779 558354.6203 -17.3694 -17.4348 LDB: ============= START OF LOAD BALANCING ============== 3942.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3942.81 LDB: =============== DONE WITH MIGRATION ================ 3942.81 LDB: ============= START OF LOAD BALANCING ============== 3943.1 LDB: Largest compute 4820 load 0.029666 is 25.2% of average load 0.117653 LDB: Average compute 0.001731 is 1.5% of average load 0.117653 LDB: TIME 3943.1 LOAD: AVG 0.117653 MAX 0.177732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.828 MB LDB: TIME 3943.1 LOAD: AVG 0.117653 MAX 0.177732 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.836 MB LDB: TIME 3943.1 LOAD: AVG 0.117653 MAX 0.177732 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.836 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3943.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3943.11 PRESSURE: 1356400 -120.702 -60.3615 4.76498 -60.3605 -236.65 -128.817 4.76528 -128.817 -112.611 GPRESSURE: 1356400 -79.4707 -62.5384 94.884 43.9591 -159.065 -72.0777 -52.3792 -139.544 -125.824 PRESSAVG: 1356400 45.1666 5.0607 23.0034 5.06077 -18.4767 -54.6391 23.0034 -54.6392 15.0127 GPRESSAVG: 1356400 45.6638 3.76446 23.002 6.462 -18.8331 -55.2297 23.5082 -54.4263 15.0672 TIMING: 1356400 CPU: 3939.93, 0.00296793/step Wall: 3939.93, 0.00296793/step, 3.00387 hours remaining, 205.851562 MB of memory in use. ENERGY: 1356400 707.8061 2100.3982 1977.6460 123.1937 -205503.0005 17379.2532 0.0000 0.0000 34322.2803 -148892.4231 299.7450 -183214.7034 -148790.9023 300.1457 -156.6543 -121.4534 558229.5973 13.9009 13.9660 PRESSURE: 1356600 -250.798 115.102 188.709 115.102 -186.716 27.4897 188.71 27.4908 -317.048 GPRESSURE: 1356600 -232.28 150.257 261.819 102.558 -138.95 17.8677 149.822 7.73959 -275.552 PRESSAVG: 1356600 -101.746 -1.4974 23.8994 -1.49729 87.6424 -74.8424 23.8994 -74.8425 1.9817 GPRESSAVG: 1356600 -103.044 -1.20667 25.7472 -1.60486 88.4671 -75.6462 23.2604 -74.4558 2.40061 TIMING: 1356600 CPU: 3940.51, 0.00290765/step Wall: 3940.51, 0.00290765/step, 2.94271 hours remaining, 206.183594 MB of memory in use. ENERGY: 1356600 763.9559 2103.2484 1961.7420 108.6601 -205551.7759 17274.1139 0.0000 0.0000 34423.9822 -148916.0733 300.6332 -183340.0555 -148817.8074 300.1279 -251.5207 -215.5939 556721.0220 -4.0405 -4.0587 PRESSURE: 1356800 -220.741 55.7447 166.116 55.7449 -9.12139 102.479 166.117 102.48 -320.742 GPRESSURE: 1356800 -138.401 53.8657 191.869 121.15 -27.6661 109.801 116.857 200.038 -283.093 PRESSAVG: 1356800 -66.2982 9.31713 77.5527 9.31711 47.7087 19.7148 77.5528 19.7148 29.619 GPRESSAVG: 1356800 -63.6443 10.6717 77.0179 8.24254 47.2179 21.1662 75.7547 20.0492 27.9836 TIMING: 1356800 CPU: 3941.09, 0.00289801/step Wall: 3941.09, 0.00289801/step, 2.93279 hours remaining, 206.183594 MB of memory in use. ENERGY: 1356800 762.6919 2144.1555 1967.0737 125.8391 -205774.2809 17423.1559 0.0000 0.0000 34333.8484 -149017.5165 299.8460 -183351.3650 -148921.1086 299.8711 -183.5349 -149.7202 558961.6682 3.6765 3.8524 PRESSURE: 1357000 -120.322 33.0591 36.3917 33.0598 -122.479 57.958 36.3916 57.9582 150.115 GPRESSURE: 1357000 -83.7132 50.2598 9.7705 -63.3085 -115.112 118.383 27.5381 -58.8833 194.821 PRESSAVG: 1357000 10.5125 -32.0895 2.12704 -32.0895 -11.9676 8.81998 2.12707 8.81997 -9.29376 GPRESSAVG: 1357000 8.39053 -30.184 1.63521 -33.5951 -11.2439 10.4521 2.2716 6.453 -8.46067 TIMING: 1357000 CPU: 3941.67, 0.00290072/step Wall: 3941.67, 0.00290072/step, 2.93536 hours remaining, 206.183594 MB of memory in use. ENERGY: 1357000 784.1366 2047.8267 1962.8691 115.1552 -206109.8447 17835.9745 0.0000 0.0000 34129.7832 -149234.0993 298.0639 -183363.8825 -149134.0670 298.9930 -30.8952 -1.3347 558560.6378 -3.5829 -3.7713 PRESSURE: 1357200 139.284 68.644 77.2016 68.6434 -30.73 -140.757 77.2012 -140.758 -162.555 GPRESSURE: 1357200 174.528 74.1084 117.048 113.954 -32.0667 -94.9453 18.3809 -104.818 -100.851 PRESSAVG: 1357200 93.6864 27.4189 1.05061 27.4189 -54.3464 35.6169 1.05057 35.6169 1.96107 GPRESSAVG: 1357200 94.6707 24.3411 1.99314 30.1166 -54.8495 35.8334 0.509396 37.3442 1.76456 TIMING: 1357200 CPU: 3942.25, 0.00289859/step Wall: 3942.25, 0.00289859/step, 2.93305 hours remaining, 206.183594 MB of memory in use. ENERGY: 1357200 728.4886 2110.1608 1948.8212 112.3652 -206385.3275 17811.4106 0.0000 0.0000 34263.9299 -149410.1513 299.2354 -183674.0812 -149310.2127 299.0704 -18.0004 13.8701 557839.0125 13.7670 13.8619 PRESSURE: 1357400 281.914 30.6313 -189.822 30.6314 -61.6822 40.7908 -189.821 40.7914 140.638 GPRESSURE: 1357400 358.318 34.7323 -226.017 69.1232 -48.9343 -41.6088 -121.482 -39.6895 147 PRESSAVG: 1357400 57.5611 45.0979 34.6474 45.098 -27.9418 -40.8157 34.6475 -40.8157 -46.0577 GPRESSAVG: 1357400 57.8858 44.2751 33.6538 44.0182 -27.981 -42.1639 36.4255 -40.2206 -46.6513 TIMING: 1357400 CPU: 3942.83, 0.00288631/step Wall: 3942.83, 0.00288631/step, 2.92047 hours remaining, 206.183594 MB of memory in use. ENERGY: 1357400 732.6297 2143.6432 1951.8441 102.1868 -206334.0929 17786.2102 0.0000 0.0000 34202.3459 -149415.2330 298.6976 -183617.5788 -149318.2537 298.6038 120.2900 152.1279 555528.4072 -5.4795 -5.5822 PRESSURE: 1357600 -125.328 -101.683 -132.176 -101.683 82.5234 5.7327 -132.176 5.73263 -166.003 GPRESSURE: 1357600 -110.243 -181.682 -102.328 -135.23 93.8201 13.2014 -123.179 20.039 -91.6237 PRESSAVG: 1357600 -23.4101 49.1193 -2.62525 49.1194 12.1993 46.777 -2.62517 46.7769 15.6804 GPRESSAVG: 1357600 -23.3093 49.1787 -3.74049 49.1476 11.084 44.6023 -2.49728 47.7833 17.0554 TIMING: 1357600 CPU: 3943.41, 0.00287912/step Wall: 3943.41, 0.00287912/step, 2.91303 hours remaining, 206.183594 MB of memory in use. ENERGY: 1357600 743.7542 2104.2181 1962.3036 120.2837 -206170.7230 17627.2120 0.0000 0.0000 34088.7226 -149524.2288 297.7053 -183612.9514 -149431.8338 298.3045 -69.6026 -36.0156 557009.3970 1.4898 1.6100 PRESSURE: 1357800 -193.644 33.9977 -82.2927 33.9969 -42.8584 -73.1612 -82.2928 -73.1618 46.9493 GPRESSURE: 1357800 -182.784 72.6806 -55.7118 -76.6511 -2.32869 -83.249 -163.826 -59.1525 99.2643 PRESSAVG: 1357800 -7.28577 11.8199 -0.754074 11.8199 -34.225 -16.8211 -0.754036 -16.8211 10.6217 GPRESSAVG: 1357800 -7.50786 13.4526 0.127997 11.4561 -33.7068 -14.8927 0.394266 -18.9088 9.86763 TIMING: 1357800 CPU: 3943.99, 0.0029012/step Wall: 3943.99, 0.0029012/step, 2.93521 hours remaining, 206.183594 MB of memory in use. ENERGY: 1357800 746.5175 2054.9471 1964.0236 115.2932 -206315.3027 17843.0955 0.0000 0.0000 34208.2761 -149383.1497 298.7494 -183591.4259 -149285.2288 298.0980 -63.1844 -28.6162 558652.5039 -10.2963 -10.4490 PRESSURE: 1358000 -39.5876 -194.772 3.19802 -194.769 -8.07079 245.292 3.19776 245.292 27.7833 GPRESSURE: 1358000 -38.4097 -236.925 -11.9543 -142.825 20.739 383.026 68.4387 208.386 80.6952 PRESSAVG: 1358000 4.38574 -1.58661 20.9349 -1.58652 -28.7758 -0.67957 20.9349 -0.679514 11.5332 GPRESSAVG: 1358000 3.67039 -0.996229 21.1252 -2.35819 -29.0346 0.899504 20.7451 -1.11168 12.5815 TIMING: 1358000 CPU: 3944.57, 0.00291736/step Wall: 3944.57, 0.00291736/step, 2.9514 hours remaining, 206.183594 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: 1358000 724.1706 2108.5515 1972.0035 109.7833 -206539.2238 18022.3125 0.0000 0.0000 34279.2732 -149323.1292 299.3694 -183602.4024 -149226.3534 299.0561 -6.6250 21.0082 558042.7484 -4.2856 -4.2609 PRESSURE: 1358200 -117.99 -28.0163 29.6677 -28.0151 -268.731 -35.9942 29.6687 -35.9923 -215.126 GPRESSURE: 1358200 -148.323 -72.4593 43.2131 16.9731 -226.782 -54.9017 -9.76188 -52.8556 -127.244 PRESSAVG: 1358200 8.9717 20.7391 -25.8932 20.7391 68.3096 -43.4326 -25.8932 -43.4328 -77.9243 GPRESSAVG: 1358200 10.1925 19.3917 -25.5745 22.4696 67.2348 -45.7303 -26.4169 -40.9052 -78.2666 TIMING: 1358200 CPU: 3945.16, 0.00291898/step Wall: 3945.16, 0.00291898/step, 2.95287 hours remaining, 206.183594 MB of memory in use. ENERGY: 1358200 740.6822 2120.7108 1975.5535 114.1013 -205978.2643 17585.1580 0.0000 0.0000 33938.9893 -149503.0692 296.3976 -183442.0585 -149414.5444 297.9083 -200.6158 -167.4495 557801.0808 -0.2143 -0.2798 PRESSURE: 1358400 193.223 112.232 -4.77442 112.232 -69.3595 7.08305 -4.77426 7.08271 236.242 GPRESSURE: 1358400 211.574 165.442 -43.5759 151.58 -48.8789 -61.0052 79.1746 63.2746 292.236 PRESSAVG: 1358400 -69.8086 16.6529 -9.4626 16.653 9.82989 3.39776 -9.46269 3.39765 68.3618 GPRESSAVG: 1358400 -71.6686 17.0295 -8.43929 17.0763 9.91523 4.93597 -10.5932 2.53197 69.5771 TIMING: 1358400 CPU: 3945.74, 0.00290262/step Wall: 3945.74, 0.00290262/step, 2.93616 hours remaining, 206.183594 MB of memory in use. ENERGY: 1358400 768.3277 2103.4284 1984.5630 109.0356 -206655.6586 18040.9502 0.0000 0.0000 34238.2157 -149411.1380 299.0109 -183649.3537 -149313.7871 298.2357 120.0353 151.6435 557616.5249 2.7943 2.6079 PRESSURE: 1358600 -103.58 -161.076 66.7841 -161.075 -137.247 82.7043 66.7838 82.704 166.854 GPRESSURE: 1358600 -64.0237 -180.881 28.4488 -148.949 -69.3512 83.9834 57.8601 111.95 155.795 PRESSAVG: 1358600 10.7811 6.24949 -43.9285 6.24951 -43.5581 22.5821 -43.9285 22.582 49.3636 GPRESSAVG: 1358600 11.5591 6.77084 -44.9657 4.68348 -43.066 20.3758 -43.2327 23.3467 47.9137 TIMING: 1358600 CPU: 3946.32, 0.00289882/step Wall: 3946.32, 0.00289882/step, 2.93216 hours remaining, 206.183594 MB of memory in use. ENERGY: 1358600 734.4246 2058.0783 1959.1766 128.3482 -206386.6104 18044.5092 0.0000 0.0000 34113.3558 -149348.7177 297.9204 -183462.0734 -149257.1218 298.2313 -24.6578 7.4735 558944.4726 5.5289 5.4689 PRESSURE: 1358800 199.086 18.7297 154.589 18.7295 -75.8432 -178.97 154.588 -178.969 -88.5399 GPRESSURE: 1358800 180.587 32.873 187.131 -34.2866 -24.7827 -82.6852 84.3187 -193.52 -29.759 PRESSAVG: 1358800 -11.0162 -35.7904 2.46536 -35.7905 -32.158 54.8219 2.46547 54.8218 68.1884 GPRESSAVG: 1358800 -11.2941 -36.3797 3.11285 -34.3943 -31.8939 55.7549 2.99243 53.1797 67.8216 TIMING: 1358800 CPU: 3946.9, 0.00292206/step Wall: 3946.9, 0.00292206/step, 2.9555 hours remaining, 206.183594 MB of memory in use. ENERGY: 1358800 767.0412 2107.8339 1962.4996 117.0062 -206237.3336 17922.7475 0.0000 0.0000 34222.1049 -149138.1003 298.8702 -183360.2052 -149044.0042 299.3994 11.5677 42.0151 558400.2137 8.3381 8.2112 PRESSURE: 1359000 -15.2486 -142.11 -45.662 -142.11 114.505 -153.141 -45.6623 -153.14 -223.342 GPRESSURE: 1359000 3.99488 -91.0175 -20.747 -126.168 120.299 -221.755 -121.27 -129.494 -148.88 PRESSAVG: 1359000 34.5321 -81.046 54.3692 -81.046 -47.1869 2.14925 54.3692 2.14939 -57.99 GPRESSAVG: 1359000 34.907 -79.973 53.4304 -80.1756 -47.5719 4.42464 53.8181 3.36553 -58.3073 TIMING: 1359000 CPU: 3947.48, 0.00290004/step Wall: 3947.48, 0.00290004/step, 2.93307 hours remaining, 206.183594 MB of memory in use. ENERGY: 1359000 767.8920 2089.6164 2007.2861 132.3207 -206019.0556 17734.0858 0.0000 0.0000 34251.6679 -149036.1868 299.1283 -183287.8547 -148946.7238 299.7550 -41.3622 -8.1952 558724.1842 -23.5483 -23.6574 PRESSURE: 1359200 -72.1553 -70.7752 -220.398 -70.7751 -45.34 100.061 -220.399 100.061 207.712 GPRESSURE: 1359200 -23.2585 -100.22 -199.67 -85.3736 2.53941 91.9057 -240.074 72.7612 216.085 PRESSAVG: 1359200 -54.1174 -33.0074 -26.0692 -33.0073 -1.14038 -42.1591 -26.0693 -42.1591 54.8597 GPRESSAVG: 1359200 -53.5109 -33.3796 -24.2767 -35.4561 -1.47412 -41.9974 -25.7729 -43.3803 54.0353 TIMING: 1359200 CPU: 3948.06, 0.00292564/step Wall: 3948.06, 0.00292564/step, 2.9588 hours remaining, 206.183594 MB of memory in use. ENERGY: 1359200 793.7911 2085.8161 1959.8260 121.3603 -206318.1627 18072.6705 0.0000 0.0000 34434.1467 -148850.5519 300.7220 -183284.6986 -148764.4464 299.7141 30.0721 65.1221 560021.9984 -0.1327 -0.3166 PRESSURE: 1359400 -171.753 -201.584 61.1221 -201.583 -197.513 -46.2818 61.1223 -46.2804 234.687 GPRESSURE: 1359400 -122.18 -183.578 -32.6796 -177.54 -170.325 -1.68868 7.40837 -26.9063 249.556 PRESSAVG: 1359400 1.39689 -29.2331 -12.3769 -29.2331 4.59291 -9.98591 -12.3769 -9.98585 44.2592 GPRESSAVG: 1359400 -0.630113 -29.8327 -14.9429 -29.9657 5.1407 -10.3014 -11.1996 -9.19199 45.7813 TIMING: 1359400 CPU: 3948.64, 0.00289417/step Wall: 3948.64, 0.00289417/step, 2.92681 hours remaining, 206.183594 MB of memory in use. ENERGY: 1359400 782.4985 2075.6063 1951.3253 116.5214 -206337.2009 17929.4175 0.0000 0.0000 34374.2376 -149107.5944 300.1988 -183481.8320 -149015.9984 300.3685 -44.8599 -14.3162 557358.0225 16.7497 16.7640 PRESSURE: 1359600 -188.467 146.621 -22.3554 146.622 -237.116 86.8221 -22.3569 86.8218 26.3068 GPRESSURE: 1359600 -88.5903 209.878 -121.085 45.5512 -247.978 53.7792 43.7781 91.2728 31.0178 PRESSAVG: 1359600 -23.6471 -34.5785 -2.67025 -34.5785 -12.4951 7.93129 -2.6703 7.93128 64.6609 GPRESSAVG: 1359600 -21.8497 -35.5118 -2.95552 -33.7378 -12.9444 5.48784 -2.39069 9.39745 62.9607 TIMING: 1359600 CPU: 3949.22, 0.00289046/step Wall: 3949.22, 0.00289046/step, 2.9229 hours remaining, 206.183594 MB of memory in use. ENERGY: 1359600 751.1107 2044.8021 1954.1075 125.8037 -206078.5810 17769.5042 0.0000 0.0000 34489.4970 -148943.7557 301.2054 -183433.2527 -148848.8511 300.0980 -133.0921 -101.8503 559077.8215 9.5062 9.3888 PRESSURE: 1359800 -305.921 8.50508 6.20764 8.50611 49.1828 -85.6022 6.20713 -85.6018 -95.8362 GPRESSURE: 1359800 -261.534 49.3097 17.3322 -38.93 49.154 -138.409 -2.53657 -34.3212 -47.8425 PRESSAVG: 1359800 -49.976 -13.7984 -77.7163 -13.7985 12.8023 -7.02916 -77.7163 -7.02907 32.4192 GPRESSAVG: 1359800 -50.7916 -14.1848 -76.3356 -14.3384 12.8069 -6.22469 -77.6059 -8.16456 33.5809 TIMING: 1359800 CPU: 3949.8, 0.00288631/step Wall: 3949.8, 0.00288631/step, 2.91854 hours remaining, 206.183594 MB of memory in use. ENERGY: 1359800 757.4824 2065.1669 1968.4718 110.2638 -206244.2384 17822.8643 0.0000 0.0000 34355.5465 -149164.4427 300.0355 -183519.9892 -149076.4697 300.1587 -117.5248 -86.7409 557626.4258 -1.5848 -1.4679 PRESSURE: 1360000 -20.8934 67.9938 146.356 67.9942 -14.125 21.3522 146.356 21.3519 -272.666 GPRESSURE: 1360000 23.2561 75.13 80.0691 159.201 42.6011 85.9125 192.34 13.3592 -278.137 PRESSAVG: 1360000 -46.3989 -7.53739 62.4847 -7.53739 40.0403 -39.2001 62.4847 -39.2002 -5.24673 GPRESSAVG: 1360000 -46.2399 -6.88791 63.0837 -4.11491 40.7985 -36.3179 62.4909 -39.215 -5.34866 TIMING: 1360000 CPU: 3950.38, 0.00291201/step Wall: 3950.38, 0.002912/step, 2.94436 hours remaining, 206.183594 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: 1360000 750.8163 2073.8487 1967.7807 113.5278 -206008.5878 17559.6337 0.0000 0.0000 34482.2487 -149060.7319 301.1421 -183542.9806 -148962.9431 299.0188 -102.5615 -70.7601 557177.8023 -3.8685 -3.5967 PRESSURE: 1360200 -157.735 94.1536 -16.5212 94.1532 -116.38 -125.019 -16.5208 -125.019 -279.616 GPRESSURE: 1360200 -147.976 50.8445 -30.0527 6.55598 -80.4067 -112.598 -7.96713 -102.879 -229.48 PRESSAVG: 1360200 -31.2946 -11.2366 5.49498 -11.2366 74.0906 -2.53463 5.49493 -2.53454 -19.5359 GPRESSAVG: 1360200 -30.9372 -13.0986 3.93843 -12.5505 72.6141 -6.09579 4.69794 -3.21261 -18.6602 TIMING: 1360200 CPU: 3950.96, 0.00291362/step Wall: 3950.96, 0.00291362/step, 2.94583 hours remaining, 206.183594 MB of memory in use. ENERGY: 1360200 713.0230 2104.5235 1951.9481 121.0105 -205792.4313 17462.5666 0.0000 0.0000 34430.8999 -149008.4598 300.6936 -183439.3597 -148909.8833 299.9978 -184.5768 -152.6211 557939.8271 7.7534 7.6722 LDB: ============= START OF LOAD BALANCING ============== 3954.43 LDB: ============== END OF LOAD BALANCING =============== 3954.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3954.43 LDB: ============= START OF LOAD BALANCING ============== 3954.72 LDB: Largest compute 4820 load 0.030178 is 25.7% of average load 0.117631 LDB: Average compute 0.001728 is 1.5% of average load 0.117631 LDB: TIME 3954.73 LOAD: AVG 0.117631 MAX 0.176094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.059 MB LDB: TIME 3954.73 LOAD: AVG 0.117631 MAX 0.176094 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.129 MB LDB: TIME 3954.73 LOAD: AVG 0.117631 MAX 0.176094 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.129 MB LDB: ============== END OF LOAD BALANCING =============== 3954.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3954.73 PRESSURE: 1360400 141.102 -46.0807 56.4772 -46.0819 67.0046 46.3783 56.4777 46.3766 161.665 GPRESSURE: 1360400 165.216 -35.3969 73.7231 -73.1635 113.396 24.4785 81.8911 103.208 186.111 PRESSAVG: 1360400 -49.5258 -5.66434 6.78909 -5.66423 -11.6712 -55.0612 6.78909 -55.0612 49.3067 GPRESSAVG: 1360400 -49.8734 -3.65453 5.78214 -6.09501 -10.4499 -54.9934 8.50208 -53.757 48.4369 TIMING: 1360400 CPU: 3951.56, 0.00296893/step Wall: 3951.56, 0.00296893/step, 3.00159 hours remaining, 203.343750 MB of memory in use. ENERGY: 1360400 683.1657 2075.2768 1981.6921 118.0208 -206293.0458 18004.6403 0.0000 0.0000 34237.9067 -149192.3433 299.0082 -183430.2501 -149093.6313 299.8079 123.2572 154.9079 558037.8353 -3.9634 -3.9621 PRESSURE: 1360600 -98.1482 -17.797 21.2584 -17.7968 -175.065 66.7913 21.259 66.7919 -116.001 GPRESSURE: 1360600 -84.7083 -73.4281 -17.4139 -55.4218 -147.925 131.268 22.0362 63.5414 -46.8344 PRESSAVG: 1360600 -32.6959 -7.73289 43.3003 -7.73294 -15.0171 -28.4911 43.3004 -28.4911 30.5319 GPRESSAVG: 1360600 -31.8615 -8.97532 44.6506 -8.92745 -15.4528 -27.355 41.8603 -30.2564 30.6365 TIMING: 1360600 CPU: 3952.14, 0.00290476/step Wall: 3952.14, 0.00290476/step, 2.93655 hours remaining, 203.343750 MB of memory in use. ENERGY: 1360600 732.0778 2034.3316 1956.7350 108.7924 -206099.9431 17561.6537 0.0000 0.0000 34369.3346 -149337.0181 300.1559 -183706.3527 -149240.6675 298.9550 -129.7379 -93.1560 558360.2929 -5.7270 -5.5593 PRESSURE: 1360800 -77.7069 -50.3457 -31.7355 -50.3456 -187.65 155.966 -31.7346 155.967 284.355 GPRESSURE: 1360800 -71.8629 15.8616 19.2596 -153.563 -95.9451 108.487 -23.2393 93.2138 289.996 PRESSAVG: 1360800 38.4797 -36.1538 12.052 -36.1538 -4.54108 18.7774 12.052 18.7773 -12.3353 GPRESSAVG: 1360800 39.2353 -36.1159 11.4792 -37.5632 -4.84805 18.6381 11.7982 18.6979 -11.896 TIMING: 1360800 CPU: 3952.72, 0.00289693/step Wall: 3952.72, 0.00289693/step, 2.92848 hours remaining, 203.343750 MB of memory in use. ENERGY: 1360800 734.4790 2091.1249 1984.1805 106.3994 -206366.9470 17762.9213 0.0000 0.0000 34330.0593 -149357.7827 299.8129 -183687.8420 -149256.1652 299.1319 6.3327 40.7295 555904.4463 7.2011 7.4971 PRESSURE: 1361000 -550.664 179.828 -72.5561 179.828 -6.33101 11.7871 -72.5561 11.7863 -87.5587 GPRESSURE: 1361000 -504.145 49.3185 -66.3604 172.692 17.7849 83.0617 -90.0097 -52.0918 -54.6496 PRESSAVG: 1361000 -31.8316 8.87078 21.8261 8.87078 -41.6162 64.786 21.8261 64.7861 63.8479 GPRESSAVG: 1361000 -31.8835 9.69424 22.6363 10.0571 -41.3033 62.6084 21.9468 66.2396 63.7796 TIMING: 1361000 CPU: 3953.3, 0.00293125/step Wall: 3953.3, 0.00293125/step, 2.963 hours remaining, 203.343750 MB of memory in use. ENERGY: 1361000 768.4429 2046.1155 1981.9018 116.4095 -205904.4128 17396.8577 0.0000 0.0000 34302.6870 -149291.9984 299.5739 -183594.6854 -149195.1543 299.2905 -214.8512 -180.3366 557400.6933 -3.2000 -3.1357 PRESSURE: 1361200 91.1717 -23.0937 -104.951 -23.0928 76.2602 -2.50157 -104.951 -2.50124 143.924 GPRESSURE: 1361200 113.974 20.8463 -97.1915 -38.2101 93.4107 -59.9608 -67.0674 -72.162 214.404 PRESSAVG: 1361200 -66.8939 -38.927 41.4496 -38.9269 59.6202 -5.83305 41.4496 -5.833 34.2727 GPRESSAVG: 1361200 -66.7576 -38.16 41.0161 -37.9474 61.185 -4.4862 40.1298 -6.6441 33.337 TIMING: 1361200 CPU: 3953.89, 0.00291807/step Wall: 3953.89, 0.00291807/step, 2.94952 hours remaining, 203.343750 MB of memory in use. ENERGY: 1361200 725.5735 2087.2075 1959.6634 113.8578 -206328.3922 17958.1378 0.0000 0.0000 34315.3104 -149168.6418 299.6841 -183483.9521 -149076.8543 299.4082 103.7853 140.5965 557058.6283 8.9997 9.2548 PRESSURE: 1361400 -163.276 -191.565 -2.13516 -191.564 -216.74 118.8 -2.13587 118.801 -190.467 GPRESSURE: 1361400 -134.642 -194.653 -38.1475 -120.89 -183.561 -16.2787 -25.3362 110.524 -144.258 PRESSAVG: 1361400 -6.49928 -4.3655 20.3219 -4.36542 -6.22324 -34.2831 20.322 -34.283 56.6969 GPRESSAVG: 1361400 -7.4206 -6.0982 20.4662 -5.47062 -6.70711 -35.5415 22.3727 -35.3639 58.533 TIMING: 1361400 CPU: 3954.47, 0.00290055/step Wall: 3954.47, 0.00290055/step, 2.93165 hours remaining, 203.343750 MB of memory in use. ENERGY: 1361400 741.5200 2063.5446 1934.4737 101.4277 -205896.1715 17544.6640 0.0000 0.0000 34293.2823 -149217.2592 299.4918 -183510.5415 -149122.0625 299.6470 -190.1609 -154.1535 558473.7622 14.6581 14.8018 PRESSURE: 1361600 -137.533 114.828 -153.58 114.828 -100.942 73.5349 -153.581 73.5352 -184.224 GPRESSURE: 1361600 -113.054 59.7437 -175.554 49.6906 -76.1973 40.6155 -138.456 123.595 -144.145 PRESSAVG: 1361600 -35.2727 -3.20252 -12.8922 -3.20253 15.4896 29.8461 -12.8922 29.8462 40.7112 GPRESSAVG: 1361600 -34.6691 -2.20039 -13.6431 -2.65351 15.5809 32.2053 -12.4155 29.5907 40.0724 TIMING: 1361600 CPU: 3955.05, 0.00291242/step Wall: 3955.05, 0.00291242/step, 2.94348 hours remaining, 203.343750 MB of memory in use. ENERGY: 1361600 773.9557 2126.5506 1972.2686 117.7441 -206526.8458 17916.6653 0.0000 0.0000 34356.9675 -149262.6940 300.0479 -183619.6614 -149162.5769 299.3322 -140.8998 -111.1321 558241.4161 6.9760 6.9948 PRESSURE: 1361800 -107.402 -167.279 26.3374 -167.28 396.088 188.213 26.3383 188.214 57.5091 GPRESSURE: 1361800 -36.6572 -227.935 -47.5372 -132.507 369.592 209.422 82.885 249.108 111.753 PRESSAVG: 1361800 -63.8657 -25.2969 -9.07443 -25.2969 24.7674 16.4099 -9.07444 16.41 55.4822 GPRESSAVG: 1361800 -63.0074 -26.1248 -8.1383 -25.8278 24.484 15.6398 -10.783 17.9084 55.288 TIMING: 1361800 CPU: 3955.63, 0.00290371/step Wall: 3955.63, 0.00290371/step, 2.93452 hours remaining, 203.414062 MB of memory in use. ENERGY: 1361800 725.3230 2112.3856 1939.8624 106.5286 -206355.2465 17900.2609 0.0000 0.0000 34322.6297 -149248.2563 299.7481 -183570.8859 -149154.8585 299.2455 115.3982 148.2292 556465.3913 5.4613 5.5882 PRESSURE: 1362000 -244.236 67.4404 -145.006 67.441 -145.157 -5.59009 -145.007 -5.59158 -162.696 GPRESSURE: 1362000 -147.727 56.6934 -146.641 79.354 -125.175 50.9016 -168.271 -99.0239 -185.263 PRESSAVG: 1362000 -74.2672 -5.73036 21.6346 -5.73036 30.836 47.5577 21.6345 47.5578 56.3029 GPRESSAVG: 1362000 -75.2239 -4.37322 22.9942 -5.84177 31.8526 47.2869 21.7842 45.9309 55.6733 TIMING: 1362000 CPU: 3956.21, 0.00288278/step Wall: 3956.21, 0.00288278/step, 2.91321 hours remaining, 203.414062 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: 1362000 747.8646 2066.2426 1937.8609 122.3037 -206237.7837 17639.4845 0.0000 0.0000 34383.0145 -149341.0129 300.2754 -183724.0274 -149242.2396 299.4570 -184.0293 -152.7215 556913.0128 4.2906 4.1007 PRESSURE: 1362200 -228.479 -3.22438 -71.5398 -3.22388 52.3351 -95.4212 -71.54 -95.4216 -66.0409 GPRESSURE: 1362200 -194.66 -65.9228 -61.4139 48.3533 49.6037 50.0397 -16.0406 -187.763 -1.08889 PRESSAVG: 1362200 -42.1744 21.7893 -7.84645 21.7893 64.2894 19.0193 -7.84636 19.0193 22.7947 GPRESSAVG: 1362200 -42.6398 20.4836 -9.48101 23.0034 63.6455 20.6874 -9.11341 19.7842 23.6408 TIMING: 1362200 CPU: 3956.79, 0.00288716/step Wall: 3956.79, 0.00288716/step, 2.91748 hours remaining, 203.414062 MB of memory in use. ENERGY: 1362200 751.3570 2132.8122 1933.7278 97.8804 -206102.6817 17712.2306 0.0000 0.0000 34086.4642 -149388.2095 297.6856 -183474.6738 -149285.8721 299.5933 -80.7284 -48.7152 555562.9060 14.9699 14.8822 PRESSURE: 1362400 -110.94 139.51 -2.38791 139.512 -233.52 139.193 -2.38787 139.194 -164.623 GPRESSURE: 1362400 -91.8253 85.5809 -39.8275 175.4 -219.575 164.059 72.2499 72.7026 -105.513 PRESSAVG: 1362400 -75.03 22.0936 -54.024 22.0935 20.9273 -47.9887 -54.0241 -47.9887 33.373 GPRESSAVG: 1362400 -74.0959 21.5808 -54.223 19.8441 20.5646 -48.6167 -53.4012 -47.3771 32.9626 TIMING: 1362400 CPU: 3957.36, 0.00289246/step Wall: 3957.36, 0.00289246/step, 2.92267 hours remaining, 203.414062 MB of memory in use. ENERGY: 1362400 740.8363 2080.7725 1956.2191 124.9663 -206117.7396 17463.2285 0.0000 0.0000 34396.7756 -149354.9413 300.3956 -183751.7169 -149248.8567 298.5547 -169.6940 -138.9710 555108.9995 -6.9099 -6.8563 PRESSURE: 1362600 52.7387 198.301 60.0501 198.299 -48.9936 52.7952 60.0503 52.7946 -125.118 GPRESSURE: 1362600 66.2657 162.302 95.9419 78.964 16.7255 73.6034 -3.93168 -64.4829 -108.657 PRESSAVG: 1362600 -40.2071 7.3907 -15.836 7.39069 -6.56522 35.9636 -15.8359 35.9637 60.3214 GPRESSAVG: 1362600 -40.5919 8.56378 -14.1289 8.8064 -5.45636 35.1129 -16.7063 34.7621 59.5568 TIMING: 1362600 CPU: 3957.94, 0.00290341/step Wall: 3957.94, 0.00290341/step, 2.93358 hours remaining, 203.656250 MB of memory in use. ENERGY: 1362600 718.0260 2117.3563 1952.1613 106.7700 -206392.2394 17566.7942 0.0000 0.0000 34300.7623 -149630.3693 299.5571 -183931.1316 -149533.4296 298.9183 -40.4575 -8.5551 555932.6046 4.5164 4.5028 PRESSURE: 1362800 -73.3293 -45.8192 -52.7796 -45.8182 -127.731 61.3055 -52.7808 61.3058 -275.316 GPRESSURE: 1362800 -23.1227 -47.2949 -44.1011 -50.5932 -105.997 33.7572 -53.6262 57.6475 -241.44 PRESSAVG: 1362800 -8.26412 18.4944 40.6602 18.4945 -13.7756 59.4986 40.6602 59.4987 -10.6037 GPRESSAVG: 1362800 -7.32865 19.1794 39.9088 17.0229 -15.2636 60.3294 42.8522 59.5217 -9.86431 TIMING: 1362800 CPU: 3958.52, 0.00289103/step Wall: 3958.52, 0.00289103/step, 2.9209 hours remaining, 203.656250 MB of memory in use. ENERGY: 1362800 724.1770 2146.8372 1970.9919 119.7848 -206185.8034 17705.2426 0.0000 0.0000 34019.7327 -149499.0373 297.1028 -183518.7700 -149400.6139 298.5738 -158.7919 -123.5199 557631.1512 -10.8812 -10.8188 PRESSURE: 1363000 -53.201 -119.492 -221.231 -119.49 161.935 3.33077 -221.23 3.33037 -137.592 GPRESSURE: 1363000 -13.3614 -147.485 -221.254 -176.884 161.948 43.7624 -196.9 10.3566 -81.1931 PRESSAVG: 1363000 -113.334 -1.43915 -28.1918 -1.43923 79.1309 24.8906 -28.1918 24.8906 3.23602 GPRESSAVG: 1363000 -113.797 -0.622804 -30.519 -2.98544 80.2433 23.4114 -27.4876 27.3683 3.15208 TIMING: 1363000 CPU: 3959.1, 0.00288336/step Wall: 3959.1, 0.00288336/step, 2.913 hours remaining, 203.656250 MB of memory in use. ENERGY: 1363000 740.1384 2110.1357 1956.0363 125.9313 -206432.0886 17878.6003 0.0000 0.0000 34054.6464 -149566.6002 297.4077 -183621.2466 -149465.9183 297.5571 -9.6193 22.4645 557555.1439 -10.3225 -10.1340 PRESSURE: 1363200 -172.734 124.077 -77.1849 124.077 -106.068 52.1617 -77.1854 52.1617 -61.0999 GPRESSURE: 1363200 -165.462 152.576 -112.556 112.494 -66.9845 -57.9974 -47.9611 32.3745 -22.7604 PRESSAVG: 1363200 -77.4362 -6.81031 10.0927 -6.81023 75.1838 25.662 10.0926 25.6619 1.54894 GPRESSAVG: 1363200 -77.5164 -8.55125 10.4012 -4.07484 74.01 27.5746 8.89777 24.703 2.8012 TIMING: 1363200 CPU: 3959.68, 0.00288845/step Wall: 3959.68, 0.00288845/step, 2.91797 hours remaining, 203.656250 MB of memory in use. ENERGY: 1363200 698.1954 2075.3261 1970.1453 129.2443 -206148.8423 17612.7910 0.0000 0.0000 34032.4713 -149630.6689 297.2140 -183663.1402 -149522.0384 297.6676 -113.3006 -85.0690 557724.0144 -0.2345 -0.2351 PRESSURE: 1363400 226.485 98.5538 70.9671 98.5541 -90.2164 -177.026 70.9668 -177.028 106.649 GPRESSURE: 1363400 220.735 77.9703 6.83568 146.523 -12.5506 -196.264 115.674 -119.718 138.35 PRESSAVG: 1363400 -52.8122 -28.2181 51.1634 -28.2181 23.751 -17.481 51.1634 -17.4809 1.61815 GPRESSAVG: 1363400 -54.0157 -27.2208 54.8504 -27.8253 25.0105 -16.3786 48.6379 -18.3715 1.82788 TIMING: 1363400 CPU: 3960.25, 0.00287611/step Wall: 3960.25, 0.00287611/step, 2.90535 hours remaining, 203.656250 MB of memory in use. ENERGY: 1363400 737.6947 2151.3467 1937.0409 118.9866 -206195.5300 17614.7224 0.0000 0.0000 34184.3532 -149451.3855 298.5405 -183635.7387 -149361.9585 298.2429 80.9724 115.5114 554209.4238 -9.1477 -9.0591 PRESSURE: 1363600 56.724 9.30726 -91.9201 9.30718 125.723 163.295 -91.9186 163.294 -143.24 GPRESSURE: 1363600 129.473 0.0876342 -138.168 131.772 162.637 145.775 -98.6985 140.317 -152.605 PRESSAVG: 1363600 38.9115 8.37122 8.06965 8.37124 39.9227 -10.7344 8.06966 -10.7345 -56.9834 GPRESSAVG: 1363600 40.972 9.46575 6.69339 6.80526 39.573 -13.1236 8.70925 -9.67054 -58.4047 TIMING: 1363600 CPU: 3960.83, 0.00286727/step Wall: 3960.83, 0.00286727/step, 2.89626 hours remaining, 203.656250 MB of memory in use. ENERGY: 1363600 755.3762 2115.7325 1960.0857 105.2721 -206374.5752 17930.1903 0.0000 0.0000 34177.5348 -149330.3836 298.4809 -183507.9183 -149236.8389 298.4521 13.0690 46.5018 556985.3948 7.2836 7.3801 PRESSURE: 1363800 48.5989 -77.2442 -113.941 -77.2443 -274.801 -62.9084 -113.94 -62.909 -279.608 GPRESSURE: 1363800 104.935 -114.049 -131.662 -102.938 -281.841 -98.8177 -45.4748 0.507187 -235.382 PRESSAVG: 1363800 -9.11856 13.3888 -20.5144 13.3888 -31.504 -40.2256 -20.5144 -40.2257 -0.72036 GPRESSAVG: 1363800 -9.40185 11.9506 -20.7222 14.2734 -31.5332 -39.2629 -18.382 -41.184 -0.66246 TIMING: 1363800 CPU: 3961.4, 0.00287225/step Wall: 3961.4, 0.00287225/step, 2.90113 hours remaining, 203.656250 MB of memory in use. ENERGY: 1363800 760.8366 2132.2362 1968.3204 116.8079 -206286.0797 17730.5550 0.0000 0.0000 34380.8215 -149196.5019 300.2563 -183577.3235 -149092.9803 299.9187 -168.6035 -137.4291 556886.0444 -13.7810 -13.8658 PRESSURE: 1364000 54.5408 88.9749 -93.557 88.9752 112.96 10.8024 -93.5568 10.8033 -187.383 GPRESSURE: 1364000 14.1263 35.4227 -93.1656 143.058 197.282 -60.8109 -41.5671 76.8367 -144.717 PRESSAVG: 1364000 -42.1082 21.3223 3.16805 21.3224 18.9926 -3.64251 3.16795 -3.64241 6.81646 GPRESSAVG: 1364000 -42.521 21.0203 2.29978 20.0785 18.709 -5.61637 1.39433 -4.14798 7.80507 TIMING: 1364000 CPU: 3961.98, 0.00288473/step Wall: 3961.98, 0.00288473/step, 2.91358 hours remaining, 203.656250 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: 1364000 743.5287 2091.5532 1949.6060 113.5871 -205937.1386 17692.5896 0.0000 0.0000 34338.9983 -149007.2757 299.8910 -183346.2740 -148908.6482 300.1679 -6.6274 22.2304 557223.3820 -5.4330 -5.3357 PRESSURE: 1364200 -206.802 126.593 -49.2807 126.593 -11.2199 -71.4008 -49.2804 -71.401 -45.8561 GPRESSURE: 1364200 -164.729 155.784 38.0034 36.8343 42.4254 -101.297 -119.651 -35.3467 -48.4886 PRESSAVG: 1364200 -45.0658 77.5636 20.8594 77.5637 25.1299 4.12578 20.8594 4.12573 46.9928 GPRESSAVG: 1364200 -44.8937 76.4133 22.584 80.6661 26.0962 6.38433 21.311 4.78486 45.9087 TIMING: 1364200 CPU: 3962.55, 0.00288498/step Wall: 3962.55, 0.00288498/step, 2.91367 hours remaining, 203.656250 MB of memory in use. ENERGY: 1364200 774.8022 2080.9056 1944.0348 127.8742 -206154.7415 17810.2697 0.0000 0.0000 34364.6661 -149052.1889 300.1152 -183416.8550 -148953.5312 299.6700 -87.9593 -56.9307 557138.2703 9.0190 9.0370 LDB: ============= START OF LOAD BALANCING ============== 3966.02 LDB: ============== END OF LOAD BALANCING =============== 3966.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3966.02 LDB: ============= START OF LOAD BALANCING ============== 3966.31 LDB: Largest compute 4820 load 0.029067 is 24.7% of average load 0.117626 LDB: Average compute 0.001725 is 1.5% of average load 0.117626 LDB: TIME 3966.32 LOAD: AVG 0.117626 MAX 0.176999 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.191 MB LDB: TIME 3966.32 LOAD: AVG 0.117626 MAX 0.176999 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.445 MB LDB: TIME 3966.32 LOAD: AVG 0.117626 MAX 0.176999 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.445 MB LDB: ============== END OF LOAD BALANCING =============== 3966.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3966.32 PRESSURE: 1364400 -419.706 -78.5137 -88.4498 -78.5136 35.1923 91.8817 -88.4493 91.8831 -52.0608 GPRESSURE: 1364400 -405.73 -32.3572 -108.735 -73.8125 53.889 71.1075 -113.747 62.8978 9.30227 PRESSAVG: 1364400 -95.4958 -30.0017 -49.1355 -30.0017 59.4428 31.6143 -49.1356 31.6142 50.6541 GPRESSAVG: 1364400 -95.8324 -29.89 -52.0682 -30.9066 58.8156 29.582 -47.0019 33.7112 51.4112 TIMING: 1364400 CPU: 3963.15, 0.00296699/step Wall: 3963.15, 0.00296699/step, 2.99633 hours remaining, 205.863281 MB of memory in use. ENERGY: 1364400 728.0205 2119.2630 1972.4710 122.4458 -205676.0625 17501.3917 0.0000 0.0000 34269.0610 -148963.4094 299.2802 -183232.4704 -148864.3798 300.2026 -145.5249 -114.1795 559126.6669 4.8670 4.7981 PRESSURE: 1364600 -424.401 -27.4648 0.36407 -27.4637 -69.5487 -171.46 0.363532 -171.462 -291.871 GPRESSURE: 1364600 -349.45 -45.1979 -125.557 -83.1152 -55.9996 -217.377 29.4622 -74.7099 -286.11 PRESSAVG: 1364600 -17.865 -24.9191 -22.9521 -24.919 -12.0025 -24.1641 -22.9521 -24.1642 -3.22357 GPRESSAVG: 1364600 -18.2546 -26.3803 -21.9703 -23.4085 -12.2062 -22.1501 -21.3982 -25.9036 -2.32201 TIMING: 1364600 CPU: 3963.73, 0.00291585/step Wall: 3963.73, 0.00291585/step, 2.94452 hours remaining, 205.933594 MB of memory in use. ENERGY: 1364600 734.2958 2056.9406 1977.0893 110.3772 -205626.4248 17462.8253 0.0000 0.0000 34336.9404 -148947.9561 299.8730 -183284.8966 -148846.0330 299.8684 -261.9403 -230.5199 559969.5185 -11.0304 -10.9276 PRESSURE: 1364800 8.17244 34.5056 175.338 34.5053 130.704 -148.565 175.338 -148.563 103.093 GPRESSURE: 1364800 -5.57295 -0.736789 186.25 163.162 179.13 -199.177 180.658 -92.6359 170.01 PRESSAVG: 1364800 -23.4235 -3.48314 -44.9281 -3.48323 17.1505 -51.762 -44.9282 -51.762 13.2565 GPRESSAVG: 1364800 -22.472 -0.682423 -44.5568 -6.19469 18.1607 -51.3921 -47.3931 -53.3294 11.7098 TIMING: 1364800 CPU: 3964.32, 0.00293093/step Wall: 3964.32, 0.00293093/step, 2.95959 hours remaining, 205.933594 MB of memory in use. ENERGY: 1364800 679.9254 2069.4308 1969.5787 115.1247 -206373.3263 17974.0708 0.0000 0.0000 34359.5836 -149205.6124 300.0708 -183565.1960 -149107.0256 299.5553 80.6567 114.5224 557548.0930 2.3278 2.4662 PRESSURE: 1365000 -383.518 77.1711 -9.18325 77.1713 -158.131 103.4 -9.1839 103.4 -356.094 GPRESSURE: 1365000 -416.569 57.2768 45.3625 91.6536 -104.926 168.67 -12.4491 132.153 -265.884 PRESSAVG: 1365000 -17.0687 -5.69178 67.2344 -5.69176 86.2378 -29.6267 67.2344 -29.6267 -47.7817 GPRESSAVG: 1365000 -19.1105 -4.3998 68.4493 -5.25601 87.9831 -29.3772 67.2225 -28.3385 -47.263 TIMING: 1365000 CPU: 3964.9, 0.00292324/step Wall: 3964.9, 0.00292324/step, 2.95166 hours remaining, 205.933594 MB of memory in use. ENERGY: 1365000 762.6747 2053.9484 1970.1424 107.0816 -205990.9960 17562.5209 0.0000 0.0000 34153.2738 -149381.3542 298.2690 -183534.6280 -149287.6564 298.9943 -299.2477 -262.4598 558708.2487 7.1291 7.2032 PRESSURE: 1365200 -91.531 -137.088 -106.08 -137.088 -72.6485 -21.2404 -106.08 -21.2404 13.328 GPRESSURE: 1365200 -27.3099 -67.6064 -71.5155 -114.713 -48.1852 0.369293 -134.014 -64.8076 32.8325 PRESSAVG: 1365200 -7.46673 -20.3119 50.5221 -20.3119 65.157 -42.0579 50.5221 -42.0579 -52.8881 GPRESSAVG: 1365200 -5.20009 -23.8686 50.3134 -18.5192 63.5603 -42.0473 50.4647 -43.1737 -53.3198 TIMING: 1365200 CPU: 3965.49, 0.0029235/step Wall: 3965.49, 0.0029235/step, 2.95176 hours remaining, 206.000000 MB of memory in use. ENERGY: 1365200 752.1553 2082.9929 1953.6708 106.6474 -206560.2862 17915.8549 0.0000 0.0000 34232.2706 -149516.6943 298.9589 -183748.9649 -149419.1062 298.0832 -50.2838 -14.2209 556999.2447 1.6007 1.6802 PRESSURE: 1365400 -455.764 80.8551 -11.4568 80.8541 -352.482 48.8546 -11.4571 48.8566 -114.919 GPRESSURE: 1365400 -417.465 118.339 4.75739 58.0088 -289.261 53.1366 -52.5554 -77.6482 -121.469 PRESSAVG: 1365400 -13.0847 -8.74844 -43.886 -8.74844 -64.2237 -22.9867 -43.8861 -22.9867 48.9124 GPRESSAVG: 1365400 -14.3956 -5.98877 -44.7966 -10.988 -63.2744 -22.8402 -43.3011 -24.3318 49.3262 TIMING: 1365400 CPU: 3966.07, 0.00290049/step Wall: 3966.07, 0.00290049/step, 2.92837 hours remaining, 206.058594 MB of memory in use. ENERGY: 1365400 732.6692 2105.9298 1938.9307 109.0646 -205729.4526 17349.1298 0.0000 0.0000 34063.1443 -149430.5841 297.4819 -183493.7285 -149332.8732 298.2783 -307.7216 -276.0649 558625.2418 -9.4653 -9.4479 PRESSURE: 1365600 258.571 -52.7906 28.4512 -52.7909 301.147 -148.317 28.4509 -148.317 -154.929 GPRESSURE: 1365600 233.35 -115.954 52.7967 -7.8398 327.655 -200.492 30.3157 -98.6131 -76.0021 PRESSAVG: 1365600 14.7283 -45.6239 -22.3956 -45.6238 5.1378 0.438847 -22.3957 0.438897 -47.2475 GPRESSAVG: 1365600 15.1167 -47.5382 -22.598 -45.0647 4.50266 -1.7282 -22.8346 3.68179 -46.6717 TIMING: 1365600 CPU: 3966.65, 0.00291131/step Wall: 3966.65, 0.00291131/step, 2.93913 hours remaining, 206.058594 MB of memory in use. ENERGY: 1365600 750.2406 2060.3334 1951.3814 122.1656 -206487.7366 18094.2279 0.0000 0.0000 34147.2293 -149362.1583 298.2162 -183509.3876 -149266.2266 298.1205 134.9295 161.6675 557991.5419 -9.1271 -9.0175 PRESSURE: 1365800 -200.028 -155.276 -107.947 -155.277 -75.5178 3.9166 -107.946 3.91715 -73.4352 GPRESSURE: 1365800 -151.974 -86.2607 -89.504 -171.566 -89.7951 -13.5983 -127.277 -20.6903 -20.4887 PRESSAVG: 1365800 31.3643 -3.91897 1.52135 -3.91912 9.73839 -39.3028 1.52127 -39.3029 -52.0001 GPRESSAVG: 1365800 31.59 -4.02281 3.53542 -3.45804 9.05499 -38.3654 0.897368 -39.4485 -51.631 TIMING: 1365800 CPU: 3967.23, 0.00288254/step Wall: 3967.23, 0.00288254/step, 2.90993 hours remaining, 206.058594 MB of memory in use. ENERGY: 1365800 729.8058 2086.6798 1959.7284 114.4783 -205986.4105 17625.9094 0.0000 0.0000 34193.5256 -149276.2832 298.6206 -183469.8088 -149176.0614 298.2224 -116.3270 -87.4191 557733.7778 -3.6325 -3.6620 PRESSURE: 1366000 -210.478 -15.4617 18.1073 -15.4617 -233.628 -20.3393 18.1074 -20.3396 -3.91979 GPRESSURE: 1366000 -203.005 -70.1212 -16.0036 -17.6573 -192.907 -26.9185 -6.41844 -12.435 46.972 PRESSAVG: 1366000 65.2493 -1.25092 -51.042 -1.25091 -43.5262 -2.43673 -51.042 -2.43673 -24.3841 GPRESSAVG: 1366000 64.9335 -0.433259 -53.0496 -1.24763 -42.5266 -1.70024 -51.2534 -2.95063 -24.7936 TIMING: 1366000 CPU: 3967.81, 0.00290272/step Wall: 3967.81, 0.00290272/step, 2.93014 hours remaining, 206.058594 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: 1366000 755.6368 2052.5723 1983.7759 121.7817 -206045.4043 17792.3110 0.0000 0.0000 34211.0937 -149128.2331 298.7740 -183339.3268 -149028.0377 298.9078 -149.3418 -116.3133 558818.7624 -0.8870 -0.7955 PRESSURE: 1366200 -27.5617 4.61475 -134.222 4.61471 196.583 166.663 -134.221 166.663 38.3571 GPRESSURE: 1366200 -27.7059 -51.3658 -97.1866 -65.4797 179.703 81.8169 -197.003 198.867 137.999 PRESSAVG: 1366200 39.0849 -41.8568 21.0432 -41.8567 19.7968 -31.8904 21.0433 -31.8904 -19.3996 GPRESSAVG: 1366200 40.1315 -41.5482 22.2277 -43.0218 18.9438 -33.6768 21.9477 -31.4196 -19.2423 TIMING: 1366200 CPU: 3968.39, 0.00289932/step Wall: 3968.39, 0.00289932/step, 2.92655 hours remaining, 206.058594 MB of memory in use. ENERGY: 1366200 749.0015 2091.8464 1965.0460 125.6297 -206191.8235 17999.9053 0.0000 0.0000 34215.3107 -149045.0839 298.8108 -183260.3946 -148947.6869 299.6311 69.1263 96.6652 557449.4233 13.1607 13.2777 PRESSURE: 1366400 -112.408 -59.2147 -101.737 -59.2139 -243.534 240.409 -101.737 240.41 -292.553 GPRESSURE: 1366400 -40.6631 -11.5469 -154.582 -99.3739 -242.775 218.62 -122.137 159.013 -273.584 PRESSAVG: 1366400 -42.5754 -63.6583 -41.5836 -63.6584 57.6139 66.2721 -41.5837 66.2721 -38.6749 GPRESSAVG: 1366400 -43.3622 -64.1719 -41.6869 -62.2455 58.0466 67.1301 -42.4599 64.9896 -38.6711 TIMING: 1366400 CPU: 3968.97, 0.00291017/step Wall: 3968.97, 0.00291017/step, 2.93733 hours remaining, 206.058594 MB of memory in use. ENERGY: 1366400 734.6586 2075.4700 1957.6514 125.8130 -205293.8472 17244.1569 0.0000 0.0000 34190.2922 -148965.8052 298.5923 -183156.0973 -148867.3500 299.9967 -216.1653 -185.6743 557069.0650 -7.8788 -7.9955 PRESSURE: 1366600 -341.203 -34.5835 27.6197 -34.5823 11.0434 -80.7826 27.6199 -80.784 -282.5 GPRESSURE: 1366600 -282.386 15.7658 83.5418 -33.3831 54.9374 -163.217 -59.7326 6.75921 -279.083 PRESSAVG: 1366600 74.232 -27.317 -24.8459 -27.3169 -17.8992 5.66634 -24.8459 5.66635 -38.132 GPRESSAVG: 1366600 74.3548 -25.8668 -24.3688 -28.1301 -18.4206 7.42253 -23.3474 5.22242 -37.5193 TIMING: 1366600 CPU: 3969.55, 0.00292925/step Wall: 3969.55, 0.00292925/step, 2.95643 hours remaining, 206.097656 MB of memory in use. ENERGY: 1366600 760.4607 2089.1700 1947.3297 108.9596 -205857.2588 17490.9568 0.0000 0.0000 34469.7448 -148990.6372 301.0329 -183460.3819 -148903.0141 300.5646 -204.2199 -168.8440 557343.7507 6.0670 6.1383 PRESSURE: 1366800 -105.257 9.01734 -65.1132 9.0173 27.0113 32.8648 -65.1128 32.8656 -86.2991 GPRESSURE: 1366800 -55.769 1.95299 -12.2679 69.4094 40.9938 7.67172 -124.666 -37.4622 -47.7769 PRESSAVG: 1366800 8.2667 -0.150832 -0.753443 -0.150775 61.1635 -3.30663 -0.75349 -3.30644 -40.1378 GPRESSAVG: 1366800 7.6848 -1.45693 -1.86594 0.667848 61.7808 -3.88864 1.21778 -4.74744 -40.1116 TIMING: 1366800 CPU: 3970.14, 0.00292641/step Wall: 3970.14, 0.00292641/step, 2.9534 hours remaining, 206.097656 MB of memory in use. ENERGY: 1366800 756.1657 2063.7851 1944.3020 113.3615 -205929.4712 17802.6450 0.0000 0.0000 34263.9556 -148985.2562 299.2356 -183249.2119 -148886.3359 300.4504 -54.8483 -20.8507 557370.4021 9.7641 9.7847 PRESSURE: 1367000 -192.514 136.971 103.637 136.97 -140.718 115.821 103.637 115.821 -129.264 GPRESSURE: 1367000 -148.094 51.5456 113.104 190.992 -98.9559 216.375 142.884 38.8737 -130.296 PRESSAVG: 1367000 -41.492 26.6715 -9.98281 26.6715 48.5741 -65.0039 -9.98277 -65.0038 -8.86372 GPRESSAVG: 1367000 -40.5209 28.8705 -9.01078 24.3607 49.3404 -64.5529 -13.7692 -62.98 -10.5999 TIMING: 1367000 CPU: 3970.72, 0.00290963/step Wall: 3970.72, 0.00290963/step, 2.9363 hours remaining, 206.097656 MB of memory in use. ENERGY: 1367000 731.3752 2059.9975 1939.1729 99.8253 -205986.1029 17646.9034 0.0000 0.0000 34455.4276 -149053.4010 300.9078 -183508.8286 -148952.1577 300.3246 -154.1654 -125.7820 557233.6614 -0.5939 -0.5935 PRESSURE: 1367200 -14.9918 -64.2637 -83.5169 -64.2636 -103.255 22.8725 -83.5169 22.8721 121.049 GPRESSURE: 1367200 -2.57627 -113.733 -121.106 -91.997 -62.6467 -21.6296 -60.1489 6.48564 157.917 PRESSAVG: 1367200 -11.6152 -41.4979 -44.6666 -41.4979 -38.5642 -5.83696 -44.6666 -5.837 52.2389 GPRESSAVG: 1367200 -13.0184 -43.2606 -44.1449 -40.0894 -38.3055 -6.72437 -42.5849 -5.21882 53.1555 TIMING: 1367200 CPU: 3971.3, 0.00291409/step Wall: 3971.3, 0.00291409/step, 2.94064 hours remaining, 206.097656 MB of memory in use. ENERGY: 1367200 799.9962 2055.1807 1919.8667 110.4308 -206054.8966 17820.9187 0.0000 0.0000 34298.8169 -149049.6866 299.5401 -183348.5034 -148951.5008 300.0262 0.9339 30.8980 555775.7454 0.6865 0.6105 PRESSURE: 1367400 -106.099 23.62 215.382 23.6189 -241.271 236.06 215.381 236.059 -24.5966 GPRESSURE: 1367400 -86.7703 -80.0488 220.002 37.5052 -168.618 182.83 228.24 227.508 -28.2778 PRESSAVG: 1367400 52.9073 2.41841 5.92872 2.41831 -88.2588 -14.4617 5.9286 -14.4617 22.2778 GPRESSAVG: 1367400 53.3712 2.41942 5.92939 3.94069 -88.2509 -14.4826 6.59876 -13.541 22.3735 TIMING: 1367400 CPU: 3971.88, 0.00288954/step Wall: 3971.88, 0.00288954/step, 2.9157 hours remaining, 206.097656 MB of memory in use. ENERGY: 1367400 748.3504 2063.5678 1969.7715 100.2863 -205515.9846 17512.4163 0.0000 0.0000 34165.8666 -148955.7256 298.3790 -183121.5922 -148860.5220 299.1800 -123.9889 -94.5553 558897.9351 -4.3579 -4.1687 PRESSURE: 1367600 -104.585 -80.0166 22.5487 -80.0161 51.5594 161.586 22.5491 161.586 166.131 GPRESSURE: 1367600 -75.5024 -91.9392 30.9061 -84.3491 97.0908 157.12 17.7557 168.782 176.116 PRESSAVG: 1367600 -2.69786 -14.3538 37.324 -14.3537 14.1354 31.1742 37.324 31.1742 6.55209 GPRESSAVG: 1367600 -3.41171 -11.785 37.0237 -14.0821 14.889 30.906 38.0227 30.8165 6.73401 TIMING: 1367600 CPU: 3972.46, 0.00290838/step Wall: 3972.46, 0.00290838/step, 2.93456 hours remaining, 206.097656 MB of memory in use. ENERGY: 1367600 735.1795 2091.3025 1954.4832 105.7606 -205984.1756 17742.7001 0.0000 0.0000 34328.4858 -149026.2639 299.7992 -183354.7497 -148927.1756 299.4880 37.7017 65.9014 559304.8635 5.9965 6.0704 PRESSURE: 1367800 49.1779 -3.38302 10.0118 -3.38227 6.97608 69.2569 10.012 69.2562 -315.932 GPRESSURE: 1367800 49.7427 18.5494 -15.8777 26.2659 57.9254 169.073 100.174 -67.8681 -277.99 PRESSAVG: 1367800 59.917 5.3186 -33.7431 5.31856 -30.7819 30.181 -33.7431 30.181 -84.958 GPRESSAVG: 1367800 61.2241 2.54434 -34.2187 5.38798 -32.1583 30.3796 -33.4368 27.8642 -84.921 TIMING: 1367800 CPU: 3973.04, 0.00290106/step Wall: 3973.04, 0.00290106/step, 2.92701 hours remaining, 206.097656 MB of memory in use. ENERGY: 1367800 742.0773 2115.5003 1965.0192 109.9605 -205726.7155 17589.9841 0.0000 0.0000 34204.4513 -148999.7228 298.7160 -183204.1741 -148898.6585 298.9507 -86.5926 -56.7739 560867.9152 -18.6076 -18.6184 PRESSURE: 1368000 114.91 22.079 -41.6641 22.0798 54.9477 54.6549 -41.6642 54.6549 -124.221 GPRESSURE: 1368000 100.388 -2.47002 -54.3456 23.0859 81.1935 15.989 -50.8074 35.9695 -45.7845 PRESSAVG: 1368000 53.9932 36.3991 24.6215 36.399 -22.0024 -6.12208 24.6215 -6.12201 -49.7365 GPRESSAVG: 1368000 53.5146 35.6468 23.4335 34.9297 -21.3996 -4.78723 25.1927 -4.06222 -50.3388 TIMING: 1368000 CPU: 3973.62, 0.00289576/step Wall: 3973.62, 0.00289576/step, 2.9215 hours remaining, 206.097656 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: 1368000 725.2986 2091.9025 1963.1741 112.2411 -205880.8296 17750.1038 0.0000 0.0000 34240.7975 -148997.3119 299.0334 -183238.1094 -148905.9816 299.3647 15.2122 45.2657 558664.7935 -5.9152 -6.0746 PRESSURE: 1368200 56.9193 63.2423 95.3316 63.2426 -150.892 -57.1329 95.3311 -57.1317 42.9815 GPRESSURE: 1368200 94.5115 68.6857 1.37487 51.2238 -108.733 -19.233 98.0608 -33.3425 67.5112 PRESSAVG: 1368200 59.4731 -17.8225 -13.0236 -17.8225 3.39703 13.9648 -13.0236 13.9648 -41.3546 GPRESSAVG: 1368200 57.9396 -16.4494 -12.8268 -17.2078 3.57514 12.6989 -12.6666 13.1821 -40.6145 TIMING: 1368200 CPU: 3974.2, 0.00290695/step Wall: 3974.2, 0.00290695/step, 2.93262 hours remaining, 206.097656 MB of memory in use. ENERGY: 1368200 724.3584 2078.4269 1934.3958 120.3835 -206149.6332 17886.5497 0.0000 0.0000 34193.8732 -149211.6458 298.6236 -183405.5190 -149105.6595 298.7511 -16.9969 17.7632 558124.2488 7.1718 6.9668 LDB: ============= START OF LOAD BALANCING ============== 3977.67 LDB: ============== END OF LOAD BALANCING =============== 3977.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3977.67 LDB: ============= START OF LOAD BALANCING ============== 3977.97 LDB: Largest compute 4820 load 0.029414 is 25.0% of average load 0.117590 LDB: Average compute 0.001729 is 1.5% of average load 0.117590 LDB: TIME 3977.97 LOAD: AVG 0.11759 MAX 0.175463 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.289 MB LDB: TIME 3977.97 LOAD: AVG 0.11759 MAX 0.175463 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.289 MB LDB: TIME 3977.97 LOAD: AVG 0.11759 MAX 0.175463 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.289 MB LDB: ============== END OF LOAD BALANCING =============== 3977.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3977.98 PRESSURE: 1368400 -57.465 123.16 67.2965 123.159 76.7221 -221.827 67.296 -221.827 -228.537 GPRESSURE: 1368400 -46.0301 145.831 55.9467 21.158 94.2544 -162.033 12.3038 -183.664 -161.81 PRESSAVG: 1368400 96.4294 60.6488 0.132843 60.6489 51.3147 -63.0578 0.132965 -63.0577 -83.6889 GPRESSAVG: 1368400 96.6792 61.0165 -0.491022 60.1963 51.623 -63.7867 0.0326668 -61.3114 -84.2475 TIMING: 1368400 CPU: 3974.8, 0.00299369/step Wall: 3974.8, 0.00299369/step, 3.01997 hours remaining, 203.859375 MB of memory in use. ENERGY: 1368400 747.3436 2103.7462 1996.1675 109.9687 -206351.0974 17794.8918 0.0000 0.0000 34305.8932 -149293.0865 299.6019 -183598.9797 -149192.9032 299.3394 -69.7599 -37.8618 556149.5566 21.3518 21.3516 PRESSURE: 1368600 178.168 22.6441 53.0091 22.645 59.3671 176.939 53.0077 176.94 -128.355 GPRESSURE: 1368600 248.726 99.5898 112.081 -92.9817 75.8913 137.144 49.3194 192.037 -124.044 PRESSAVG: 1368600 -15.2744 34.5538 -6.01412 34.5538 3.43721 -27.9365 -6.01421 -27.9365 -61.0355 GPRESSAVG: 1368600 -13.9004 32.5315 -4.86429 36.3612 1.81267 -27.8835 -8.02686 -30.1231 -60.5217 TIMING: 1368600 CPU: 3975.38, 0.00290376/step Wall: 3975.38, 0.00290376/step, 2.92909 hours remaining, 204.183594 MB of memory in use. ENERGY: 1368600 748.6723 2040.1814 1979.0957 106.0266 -206541.2986 18068.4911 0.0000 0.0000 34416.3635 -149182.4680 300.5667 -183598.8315 -149079.2072 298.6092 36.3934 66.8579 558042.2219 -24.2909 -24.2032 PRESSURE: 1368800 -68.1628 67.5071 56.7653 67.5071 -10.6271 28.3855 56.7648 28.3867 189.351 GPRESSURE: 1368800 -87.8203 146.707 108.227 -33.7168 105.057 74.1926 -69.1437 52.9931 203.131 PRESSAVG: 1368800 44.5398 88.904 33.5444 88.9039 -13.9124 23.2244 33.5443 23.2243 -17.6025 GPRESSAVG: 1368800 43.3725 90.7509 34.3177 88.402 -12.9023 23.7007 32.8936 23.7904 -17.4388 TIMING: 1368800 CPU: 3975.96, 0.00288545/step Wall: 3975.96, 0.00288545/step, 2.91046 hours remaining, 204.183594 MB of memory in use. ENERGY: 1368800 750.7472 2058.7611 1960.8380 118.2768 -206096.6841 17838.0855 0.0000 0.0000 34313.6669 -149056.3086 299.6698 -183369.9755 -148960.7396 300.1515 36.8537 73.4558 556102.4230 4.3416 4.3438 PRESSURE: 1369000 -128.655 108.505 81.3771 108.504 -98.5945 -126.476 81.3772 -126.476 -149.505 GPRESSURE: 1369000 -97.3777 136.265 86.6859 28.5834 -95.6368 -60.2529 182.229 -25.9485 -93.1355 PRESSAVG: 1369000 30.9282 -5.99381 -4.44129 -5.99383 -29.1025 30.9021 -4.44126 30.9021 10.4016 GPRESSAVG: 1369000 30.4428 -5.0375 -4.37586 -8.37583 -29.8723 29.1876 -3.43047 32.9157 10.8735 TIMING: 1369000 CPU: 3976.54, 0.00291796/step Wall: 3976.54, 0.00291796/step, 2.94308 hours remaining, 204.183594 MB of memory in use. ENERGY: 1369000 764.0461 2086.8144 1983.8439 107.5153 -206023.9028 17635.8725 0.0000 0.0000 34277.6634 -149168.1471 299.3554 -183445.8106 -149061.6003 300.2720 -125.5849 -95.3834 558739.6240 4.0758 3.8147 PRESSURE: 1369200 21.3721 211.083 -7.96198 211.083 -206.086 -41.5114 -7.96159 -41.5101 -93.0339 GPRESSURE: 1369200 17.0135 219.166 -59.1855 254.744 -143.506 -57.8285 13.1221 -43.2947 -50.3802 PRESSAVG: 1369200 54.335 21.1618 -58.2764 21.1617 -33.1218 23.8061 -58.2765 23.8061 -8.18602 GPRESSAVG: 1369200 53.9064 19.7101 -59.3647 23.9978 -32.3031 25.1946 -57.7825 21.6725 -8.38027 TIMING: 1369200 CPU: 3977.13, 0.00292033/step Wall: 3977.13, 0.00292033/step, 2.94532 hours remaining, 204.183594 MB of memory in use. ENERGY: 1369200 796.5544 2058.8337 1953.3589 106.5345 -206003.9468 17705.3077 0.0000 0.0000 34308.2253 -149075.1322 299.6223 -183383.3575 -148979.1366 298.9966 -92.5825 -58.9577 557930.5913 4.3424 4.4077 PRESSURE: 1369400 43.3261 24.2575 -11.4509 24.2569 -124.401 -68.6583 -11.4516 -68.6581 -332.228 GPRESSURE: 1369400 55.028 -31.7966 76.7741 79.9842 -82.398 -78.6067 -33.4649 21.3004 -286.976 PRESSAVG: 1369400 19.6192 44.9536 -4.69192 44.9536 29.9343 29.2418 -4.69193 29.2417 -56.4287 GPRESSAVG: 1369400 19.6371 44.3362 -4.92667 43.8766 30.2142 29.6504 -5.59295 30.2559 -56.723 TIMING: 1369400 CPU: 3977.71, 0.0028959/step Wall: 3977.71, 0.0028959/step, 2.92052 hours remaining, 204.183594 MB of memory in use. ENERGY: 1369400 728.4076 2042.1037 1978.3051 118.7892 -206102.8887 17669.5220 0.0000 0.0000 34526.4004 -149039.3607 301.5276 -183565.7611 -148945.6039 299.7957 -137.7677 -104.7818 557821.7784 -2.2917 -2.2906 PRESSURE: 1369600 131.683 75.7543 -31.6299 75.7551 -83.5371 -97.9332 -31.6295 -97.9337 -152.057 GPRESSURE: 1369600 143.877 102.063 -54.868 120.987 -23.9895 -155.528 -17.8814 -69.6357 -120.284 PRESSAVG: 1369600 79.2254 -37.7959 -20.0187 -37.7958 5.83295 77.1513 -20.0188 77.1512 -51.9846 GPRESSAVG: 1369600 79.8758 -38.2424 -21.3731 -37.6471 4.78881 77.3928 -19.0814 76.3228 -51.6646 TIMING: 1369600 CPU: 3978.29, 0.0028907/step Wall: 3978.29, 0.0028907/step, 2.91511 hours remaining, 204.214844 MB of memory in use. ENERGY: 1369600 752.1954 2099.4743 1967.5937 107.8047 -206172.9947 17790.3306 0.0000 0.0000 34441.9091 -149013.6868 300.7898 -183455.5959 -148919.6801 300.8511 -34.6371 -0.1321 556859.3808 11.0246 11.0000 PRESSURE: 1369800 17.1647 -75.7633 23.7138 -75.7644 -130.386 -65.0896 23.7138 -65.0894 79.2413 GPRESSURE: 1369800 46.5978 1.73491 68.695 -118.02 -47.0926 -34.2322 -45.4625 -84.8818 64.2861 PRESSAVG: 1369800 0.23065 8.61146 5.67612 8.61134 46.0004 0.427542 5.67596 0.427479 -33.0489 GPRESSAVG: 1369800 -0.294868 10.0302 7.17342 8.0074 47.5463 1.27579 5.08654 -1.59174 -33.764 TIMING: 1369800 CPU: 3978.86, 0.00288823/step Wall: 3978.86, 0.00288823/step, 2.91246 hours remaining, 204.214844 MB of memory in use. ENERGY: 1369800 773.4755 2091.7499 1963.2797 112.1819 -206150.0908 17642.0099 0.0000 0.0000 34481.9994 -149085.3944 301.1399 -183567.3938 -148984.2690 300.2218 -11.3267 21.2638 556849.7955 4.3940 4.4958 PRESSURE: 1370000 139.167 -27.56 -7.80413 -27.5605 -37.1724 31.2505 -7.80326 31.251 -9.70211 GPRESSURE: 1370000 114.17 -27.1947 69.7388 -114.051 29.6445 -41.275 -2.71616 104.791 32.6814 PRESSAVG: 1370000 -8.25161 31.1506 -9.58038 31.1505 44.6268 43.4022 -9.58032 43.4021 -19.639 GPRESSAVG: 1370000 -7.94698 30.8057 -9.61113 32.7417 44.5133 41.5764 -11.5102 45.4266 -20.0759 TIMING: 1370000 CPU: 3979.44, 0.0029002/step Wall: 3979.44, 0.0029002/step, 2.92437 hours remaining, 204.214844 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: 1370000 754.7450 2031.8773 1967.2395 112.4586 -206003.7910 17604.5817 0.0000 0.0000 34449.5199 -149083.3691 300.8562 -183532.8890 -148988.8385 300.1356 30.7642 58.8321 556047.6081 5.5788 5.4968 PRESSURE: 1370200 36.4782 52.0063 66.9077 52.0058 22.3841 152.782 66.9078 152.783 -94.3451 GPRESSURE: 1370200 95.4006 117.55 28.286 -21.3946 -10.3478 214.568 82.5486 56.1386 -20.4402 PRESSAVG: 1370200 23.2964 53.0003 18.5336 53.0003 -35.9589 10.9637 18.5336 10.9636 34.6694 GPRESSAVG: 1370200 23.5932 52.8218 19.5831 51.5871 -36.9245 10.2937 19.8433 11.3283 35.6433 TIMING: 1370200 CPU: 3980.02, 0.0028802/step Wall: 3980.02, 0.0028802/step, 2.90404 hours remaining, 204.214844 MB of memory in use. ENERGY: 1370200 756.4547 2123.7121 1944.4881 114.0913 -206158.7079 17686.0527 0.0000 0.0000 34375.5580 -149158.3510 300.2103 -183533.9090 -149063.6714 299.5493 -11.8276 21.5375 555696.6621 7.3356 7.4373 PRESSURE: 1370400 -267.913 43.391 157.78 43.391 145.545 -21.0114 157.779 -21.0111 94.5013 GPRESSURE: 1370400 -168.864 -9.37503 247.861 52.1752 128.211 -41.567 168.433 -37.8509 121.406 PRESSAVG: 1370400 -41.2688 27.4688 62.6155 27.4688 22.0674 39.5236 62.6156 39.5235 27.1446 GPRESSAVG: 1370400 -40.3384 27.8633 60.9041 27.5718 21.6624 40.3978 61.9662 38.4756 26.9322 TIMING: 1370400 CPU: 3980.6, 0.0029146/step Wall: 3980.6, 0.0029146/step, 2.93857 hours remaining, 204.214844 MB of memory in use. ENERGY: 1370400 731.1993 2095.6518 1951.5918 124.0986 -206517.2200 17768.1552 0.0000 0.0000 34555.4111 -149291.1121 301.7810 -183846.5233 -149196.1102 299.8082 -9.2887 26.9179 555929.2329 2.6477 2.7521 PRESSURE: 1370600 -195.695 -48.8112 -65.5694 -48.8106 -5.02409 62.6665 -65.5693 62.6682 -140.958 GPRESSURE: 1370600 -176.812 -21.6566 -60.8296 -61.5839 24.2809 127.888 -11.1203 78.0055 -95.7017 PRESSAVG: 1370600 22.0065 37.4645 0.59644 37.4645 -5.17139 9.48825 0.596348 9.48826 -48.2283 GPRESSAVG: 1370600 20.5658 38.6186 1.45757 38.0411 -4.85322 9.36874 -0.27653 9.55569 -46.945 TIMING: 1370600 CPU: 3981.19, 0.00292024/step Wall: 3981.19, 0.00292024/step, 2.94409 hours remaining, 204.214844 MB of memory in use. ENERGY: 1370600 756.3496 2138.1451 1992.4322 111.4472 -205900.9524 17644.2307 0.0000 0.0000 33971.0009 -149287.3466 296.6772 -183258.3475 -149190.2336 299.2051 -113.8923 -82.7442 557127.0189 -10.4644 -10.4108 PRESSURE: 1370800 -50.5036 5.27326 219.753 5.27498 -17.8491 -91.0379 219.753 -91.0367 -24.3056 GPRESSURE: 1370800 -20.0843 -3.70262 190.919 72.9317 70.3162 -84.8586 208.386 -129.444 -56.5887 PRESSAVG: 1370800 -7.67082 55.1194 51.5423 55.1193 7.65439 10.3837 51.5424 10.3836 10.3562 GPRESSAVG: 1370800 -7.82487 53.2411 51.0067 54.9335 7.26142 11.2064 53.4207 11.5165 11.0594 TIMING: 1370800 CPU: 3981.77, 0.00292331/step Wall: 3981.77, 0.00292331/step, 2.94702 hours remaining, 204.214844 MB of memory in use. ENERGY: 1370800 794.0695 2081.9151 1960.6441 116.2036 -206436.1508 17901.3074 0.0000 0.0000 34153.2294 -149428.7816 298.2686 -183582.0110 -149332.3035 298.2150 -30.8861 -2.1189 556414.9082 3.4466 3.4986 PRESSURE: 1371000 -130.575 -58.0789 37.7684 -58.0783 -316.836 76.711 37.7684 76.7101 -36.4443 GPRESSURE: 1371000 -97.9839 -46.8821 129.664 -26.7584 -262.345 126.603 -17.1385 58.4607 -24.0718 PRESSAVG: 1371000 48.0679 27.8863 13.6566 27.8863 -62.4307 62.7986 13.6566 62.7986 -53.3993 GPRESSAVG: 1371000 47.977 29.9473 14.3471 27.3541 -62.9885 63.3997 11.1401 62.5566 -52.7307 TIMING: 1371000 CPU: 3982.35, 0.0029025/step Wall: 3982.35, 0.0029025/step, 2.92588 hours remaining, 204.214844 MB of memory in use. ENERGY: 1371000 750.8042 2083.0548 1968.4594 113.6147 -206407.0956 17702.6968 0.0000 0.0000 34338.9301 -149449.5355 299.8904 -183788.4656 -149347.8890 298.7672 -161.2852 -128.1335 557387.1983 -22.5874 -22.5808 PRESSURE: 1371200 50.3018 71.8941 -85.6645 71.8946 61.0417 163.57 -85.6659 163.571 -66.9042 GPRESSURE: 1371200 99.8182 111.88 -100.218 14.9568 20.436 131.989 29.656 152.43 9.08652 PRESSAVG: 1371200 121.7 37.6785 -41.4648 37.6786 -7.64416 79.6985 -41.4648 79.6985 -90.6094 GPRESSAVG: 1371200 121.828 37.0337 -42.5507 38.2979 -7.73703 78.0757 -39.6859 81.5349 -90.4419 TIMING: 1371200 CPU: 3982.93, 0.0028975/step Wall: 3982.93, 0.0028975/step, 2.92068 hours remaining, 204.214844 MB of memory in use. ENERGY: 1371200 732.5514 2067.9477 1961.9277 112.5792 -206557.8819 17943.3543 0.0000 0.0000 34273.6856 -149465.8359 299.3206 -183739.5215 -149367.8373 298.6967 14.8131 43.1136 558013.8595 7.8154 7.8831 PRESSURE: 1371400 4.95006 -70.3588 -36.9213 -70.3586 37.3899 44.7453 -36.9208 44.7451 39.801 GPRESSURE: 1371400 35.223 -24.2789 -21.9502 -55.3309 71.367 46.2352 -27.3512 10.1353 84.3234 PRESSAVG: 1371400 -54.3038 36.1665 -14.1349 36.1665 68.9283 6.34462 -14.1349 6.34455 -6.94882 GPRESSAVG: 1371400 -53.5208 36.8328 -13.8183 34.7858 69.7861 5.79149 -13.7154 3.13965 -8.31139 TIMING: 1371400 CPU: 3983.51, 0.0028772/step Wall: 3983.51, 0.0028772/step, 2.90006 hours remaining, 204.214844 MB of memory in use. ENERGY: 1371400 748.5408 2066.7085 1957.1691 119.7651 -206699.1448 18080.0538 0.0000 0.0000 34264.2787 -149462.6287 299.2385 -183726.9074 -149369.3408 298.8815 27.3803 63.6378 558083.2031 2.5586 2.6513 PRESSURE: 1371600 -30.2167 -93.9719 -51.8662 -93.9722 191.261 -27.4312 -51.8653 -27.4312 154.328 GPRESSURE: 1371600 -19.3796 -154.661 -102.572 -35.8577 192.735 -39.8557 -22.6419 -81.6441 230.69 PRESSAVG: 1371600 -16.1901 -30.5154 18.5741 -30.5154 20.6856 -46.0805 18.5742 -46.0806 3.23695 GPRESSAVG: 1371600 -15.2522 -31.9222 16.9518 -28.9322 20.5157 -45.178 17.4298 -45.7379 2.10724 TIMING: 1371600 CPU: 3984.08, 0.00288139/step Wall: 3984.08, 0.00288139/step, 2.90412 hours remaining, 204.214844 MB of memory in use. ENERGY: 1371600 757.9113 2093.8777 1972.8325 109.3983 -206339.5717 17888.1587 0.0000 0.0000 34115.0485 -149402.3446 297.9352 -183517.3931 -149308.3731 298.7063 105.1239 134.6821 556377.2441 2.5775 2.4569 PRESSURE: 1371800 -82.5911 25.9451 134.991 25.9452 50.3675 80.1331 134.991 80.1329 1.0071 GPRESSURE: 1371800 -22.168 62.1502 85.0095 34.2992 105.095 -34.6596 156.568 89.3981 -24.5327 PRESSAVG: 1371800 15.6088 -35.778 -67.1784 -35.778 16.2157 -8.76016 -67.1785 -8.76018 16.6637 GPRESSAVG: 1371800 14.6319 -36.7195 -66.3864 -34.7863 16.4762 -8.33848 -66.5606 -9.56492 17.0721 TIMING: 1371800 CPU: 3984.66, 0.00290638/step Wall: 3984.66, 0.00290638/step, 2.92915 hours remaining, 204.214844 MB of memory in use. ENERGY: 1371800 721.5390 2067.2659 1953.4946 119.9080 -206153.0226 17727.9730 0.0000 0.0000 34246.7314 -149316.1107 299.0852 -183562.8421 -149213.5212 298.9696 -10.4055 19.4649 557042.3416 16.1628 16.0600 PRESSURE: 1372000 -369.895 -92.7212 -71.436 -92.7213 111.421 -85.0199 -71.437 -85.0184 168.653 GPRESSURE: 1372000 -367.816 -118.21 -15.7183 -138.894 155.281 -17.2126 -94.5513 -25.9677 222.61 PRESSAVG: 1372000 -56.4699 25.4193 16.479 25.4193 38.97 -32.201 16.479 -32.2011 2.60986 GPRESSAVG: 1372000 -57.4811 24.4394 17.531 25.8142 38.9774 -31.8129 16.5998 -31.2792 4.01779 TIMING: 1372000 CPU: 3985.24, 0.00289524/step Wall: 3985.24, 0.00289524/step, 2.91776 hours remaining, 204.214844 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: 1372000 782.3545 2141.9253 1952.2808 119.0084 -206811.3335 17981.3406 0.0000 0.0000 34509.7253 -149324.6985 301.3820 -183834.4238 -149224.5919 299.0898 -29.9404 3.3583 555664.3537 -4.9633 -4.8286 PRESSURE: 1372200 117.432 46.6542 154.862 46.6549 -285.714 -12.3728 154.861 -12.3718 -307.906 GPRESSURE: 1372200 124.601 42.8815 175.358 31.1852 -250.472 13.9386 81.726 -13.6257 -259.471 PRESSAVG: 1372200 12.9803 15.7656 -26.9638 15.7655 87.2536 -3.0267 -26.9638 -3.02665 -66.5504 GPRESSAVG: 1372200 13.3153 17.3976 -27.3577 16.2342 86.8408 -4.13752 -26.7369 -1.5886 -66.6795 TIMING: 1372200 CPU: 3985.83, 0.00292076/step Wall: 3985.83, 0.00292076/step, 2.94331 hours remaining, 204.214844 MB of memory in use. ENERGY: 1372200 749.7019 2094.4074 1908.7344 114.8252 -206066.8397 17720.9587 0.0000 0.0000 34145.5389 -149332.6733 298.2015 -183478.2122 -149234.9422 299.2081 -158.7295 -128.4474 557446.1212 11.2278 11.1589 LDB: ============= START OF LOAD BALANCING ============== 3989.29 LDB: ============== END OF LOAD BALANCING =============== 3989.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3989.29 LDB: ============= START OF LOAD BALANCING ============== 3989.58 LDB: Largest compute 4820 load 0.028735 is 24.4% of average load 0.117643 LDB: Average compute 0.001727 is 1.5% of average load 0.117643 LDB: TIME 3989.58 LOAD: AVG 0.117643 MAX 0.175394 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.609 MB LDB: TIME 3989.58 LOAD: AVG 0.117643 MAX 0.175394 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: TIME 3989.58 LOAD: AVG 0.117643 MAX 0.175394 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3989.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3989.59 PRESSURE: 1372400 -2.72044 54.5227 -34.403 54.5222 -140.557 -122.123 -34.4016 -122.124 36.1474 GPRESSURE: 1372400 42.1097 81.8277 -99.8437 33.2405 -100.561 -244.896 -61.5945 -56.8964 37.6683 PRESSAVG: 1372400 35.0573 16.9896 -14.0779 16.9895 -27.9011 -19.1357 -14.078 -19.1357 -4.93962 GPRESSAVG: 1372400 35.3408 17.166 -14.9506 16.2039 -27.4706 -19.4522 -12.533 -19.5128 -5.00985 TIMING: 1372400 CPU: 3986.42, 0.00294107/step Wall: 3986.42, 0.00294107/step, 2.96361 hours remaining, 205.914062 MB of memory in use. ENERGY: 1372400 752.1154 2026.6100 1958.8375 120.4277 -206438.4201 17946.3322 0.0000 0.0000 34320.1961 -149313.9013 299.7268 -183634.0974 -149216.6323 298.5886 -35.7102 -6.9278 558160.3238 0.7389 0.9535 PRESSURE: 1372600 -107.661 114.53 -93.5921 114.53 -11.4217 44.6416 -93.5922 44.6402 19.1159 GPRESSURE: 1372600 -47.8521 50.7623 -74.0002 121.012 16.8468 39.6441 -40.491 34.5539 32.1651 PRESSAVG: 1372600 -50.7775 -48.1689 23.0286 -48.1688 29.0771 -15.1632 23.0286 -15.1633 7.92842 GPRESSAVG: 1372600 -50.2709 -49.1051 23.6978 -49.8326 29.3246 -13.5448 21.4894 -15.2534 7.64408 TIMING: 1372600 CPU: 3987, 0.00290121/step Wall: 3987, 0.00290121/step, 2.92329 hours remaining, 206.042969 MB of memory in use. ENERGY: 1372600 773.0805 2101.4318 1968.3380 121.5705 -206185.8384 17765.4122 0.0000 0.0000 34200.5221 -149255.4834 298.6817 -183456.0055 -149156.7348 298.5554 -33.3224 0.3866 557226.2529 -4.5906 -4.4341 PRESSURE: 1372800 -112.58 225.806 72.1878 225.807 -394.74 10.2324 72.1862 10.234 -154.926 GPRESSURE: 1372800 -67.267 224.208 50.8479 163.319 -370.453 -24.2951 49.2968 42.6623 -132.532 PRESSAVG: 1372800 -44.8178 21.5789 63.6632 21.5789 -2.72781 -14.3203 63.6632 -14.3203 6.23849 GPRESSAVG: 1372800 -45.7309 23.7973 65.4095 21.5747 -3.12491 -16.8693 63.5762 -13.1883 7.42262 TIMING: 1372800 CPU: 3987.58, 0.00293056/step Wall: 3987.58, 0.00293056/step, 2.9527 hours remaining, 206.042969 MB of memory in use. ENERGY: 1372800 754.3887 2089.0892 1960.8634 122.0659 -206413.9478 17750.7289 0.0000 0.0000 34372.5664 -149364.2453 300.1842 -183736.8117 -149271.0442 298.8288 -220.7487 -190.0841 559541.0517 -13.7690 -13.8111 PRESSURE: 1373000 55.4691 -179.711 81.2533 -179.713 186.997 111.914 81.2536 111.914 118.911 GPRESSURE: 1373000 86.5805 -177.451 160.083 -166.672 297.827 212.575 46.6095 68.8029 68.0297 PRESSAVG: 1373000 -15.4171 22.0176 18.7034 22.0177 -1.77851 8.23149 18.7034 8.2314 25.6866 GPRESSAVG: 1373000 -15.528 21.7189 18.7167 21.982 -0.991352 7.7251 18.2535 5.33226 25.8659 TIMING: 1373000 CPU: 3988.16, 0.00289154/step Wall: 3988.16, 0.00289154/step, 2.91323 hours remaining, 206.042969 MB of memory in use. ENERGY: 1373000 787.0733 2097.6469 1982.6503 104.2605 -206584.9537 18083.8099 0.0000 0.0000 34012.4025 -149517.1103 297.0388 -183529.5128 -149422.9724 298.7816 120.4590 150.8124 557959.0470 2.8303 3.1155 PRESSURE: 1373200 98.8356 163.997 -9.96677 163.998 44.3412 -38.5438 -9.96544 -38.5435 -190.487 GPRESSURE: 1373200 57.8172 107.3 -19.3838 147.506 85.165 22.2346 -87.0275 -66.694 -112.234 PRESSAVG: 1373200 -64.1967 -3.84869 1.70976 -3.84871 2.50912 4.83205 1.70974 4.83199 68.8188 GPRESSAVG: 1373200 -63.6355 -4.05972 1.96683 -4.49948 2.56403 6.13164 3.01638 7.17391 67.9855 TIMING: 1373200 CPU: 3988.74, 0.00287958/step Wall: 3988.74, 0.00287958/step, 2.90102 hours remaining, 206.042969 MB of memory in use. ENERGY: 1373200 731.7782 2126.4261 1975.9590 104.1388 -206476.2579 17806.3392 0.0000 0.0000 34128.2369 -149603.3796 298.0504 -183731.6166 -149504.4454 297.9555 -15.7702 10.2495 557713.7182 2.3771 2.3046 PRESSURE: 1373400 -87.896 -44.1022 -71.5618 -44.1024 -258.129 31.5281 -71.5598 31.5274 -65.3351 GPRESSURE: 1373400 -63.4407 -20.4221 -131.788 -71.5767 -164.937 -20.8273 -87.4377 104.535 -89.5417 PRESSAVG: 1373400 -20.3022 5.4756 -58.1349 5.47552 12.4464 -34.4181 -58.1349 -34.4181 -3.12298 GPRESSAVG: 1373400 -21.3722 5.94761 -58.8052 4.3398 12.2283 -32.7987 -61.003 -35.6906 -1.97318 TIMING: 1373400 CPU: 3989.31, 0.00288164/step Wall: 3989.31, 0.00288164/step, 2.90293 hours remaining, 206.042969 MB of memory in use. ENERGY: 1373400 739.3222 2117.9773 1978.1622 118.3605 -206305.5363 17631.3953 0.0000 0.0000 34129.3861 -149590.9327 298.0604 -183720.3188 -149494.2228 298.7025 -137.1201 -105.9730 557405.6504 -3.6596 -3.7057 PRESSURE: 1373600 -18.8836 -29.2758 18.706 -29.2755 -312.573 -68.9421 18.7066 -68.9431 -263.955 GPRESSURE: 1373600 28.5651 -76.221 37.8014 9.59107 -298.048 -69.981 5.30853 -95.1925 -230.634 PRESSAVG: 1373600 31.286 -0.0337589 -14.3318 -0.0337735 -34.9925 9.69858 -14.3318 9.69853 26.4322 GPRESSAVG: 1373600 31.2292 0.139062 -13.6263 -0.0793053 -35.6026 10.234 -13.8837 9.87748 27.0498 TIMING: 1373600 CPU: 3989.89, 0.00288538/step Wall: 3989.89, 0.00288538/step, 2.90654 hours remaining, 206.042969 MB of memory in use. ENERGY: 1373600 725.7722 2180.7246 1966.5692 104.8138 -205961.4986 17505.4934 0.0000 0.0000 33998.1977 -149479.9277 296.9147 -183478.1254 -149391.8768 298.3931 -198.4706 -166.7056 556717.4653 7.5752 7.5588 PRESSURE: 1373800 -144.777 -44.2195 174.895 -44.2191 -101.937 -25.2946 174.895 -25.2959 -416.29 GPRESSURE: 1373800 -147.5 -9.0481 56.6024 -124.486 -49.2861 18.1594 171.963 -80.5345 -361.685 PRESSAVG: 1373800 -6.23339 -29.4944 30.5074 -29.4945 3.11492 -40.0198 30.5074 -40.0198 11.0717 GPRESSAVG: 1373800 -5.85791 -32.7172 29.1811 -27.9861 3.54987 -40.786 31.8238 -40.0263 11.1256 TIMING: 1373800 CPU: 3990.47, 0.00289659/step Wall: 3990.47, 0.00289659/step, 2.91767 hours remaining, 206.042969 MB of memory in use. ENERGY: 1373800 796.7380 2112.3635 1967.7656 108.4163 -206185.1972 17620.9375 0.0000 0.0000 33964.2609 -149614.7155 296.6183 -183578.9764 -149518.3624 298.9529 -221.0013 -186.1569 556330.8934 2.6511 2.9392 PRESSURE: 1374000 -44.1928 142.555 -97.6986 142.556 -203.778 115.056 -97.6992 115.055 -211.187 GPRESSURE: 1374000 -7.02354 195.412 -87.9899 122.548 -208.429 90.7688 -144.477 61.1368 -153.921 PRESSAVG: 1374000 -41.1516 34.0238 8.2208 34.0238 -15.0556 13.3391 8.22096 13.339 97.3508 GPRESSAVG: 1374000 -41.392 36.5829 8.83365 34.9881 -14.0368 10.749 6.86474 12.9994 96.4583 TIMING: 1374000 CPU: 3991.05, 0.00288617/step Wall: 3991.05, 0.00288617/step, 2.90702 hours remaining, 206.042969 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: 1374000 726.9229 2161.2434 1955.6681 112.0497 -206073.2828 17699.4911 0.0000 0.0000 33975.6274 -149442.2801 296.7176 -183417.9075 -149345.7696 298.7166 -153.0526 -123.1245 558012.3958 13.7145 13.6765 PRESSURE: 1374200 43.4333 -31.1499 78.9856 -31.1489 -111.559 26.0169 78.9856 26.0172 -34.1829 GPRESSURE: 1374200 32.4934 -5.1924 126.643 48.8715 -51.697 26.8834 75.7933 74.1064 7.38158 PRESSAVG: 1374200 11.8324 1.47699 29.8422 1.47711 -38.2987 42.5845 29.8422 42.5845 31.6349 GPRESSAVG: 1374200 12.1561 2.26942 31.1007 0.858536 -39.0932 42.4827 30.5447 43.7196 32.1382 TIMING: 1374200 CPU: 3991.62, 0.0028885/step Wall: 3991.62, 0.0028885/step, 2.9092 hours remaining, 206.042969 MB of memory in use. ENERGY: 1374200 705.3164 2098.3243 1961.1662 115.0291 -206275.8463 17706.0221 0.0000 0.0000 34167.1358 -149522.8524 298.3901 -183689.9882 -149430.2637 298.7859 -34.1028 -3.9407 556797.6218 1.7229 1.7337 PRESSURE: 1374400 97.1257 183.813 237.222 183.814 -264.132 -37.0706 237.221 -37.071 143.917 GPRESSURE: 1374400 126.623 223.658 266.701 133.808 -191.843 13.4393 218.6 -81.9615 144.473 PRESSAVG: 1374400 -35.2622 19.7941 2.09349 19.7941 -91.5718 9.36292 2.0936 9.3629 89.6081 GPRESSAVG: 1374400 -34.5354 17.8637 0.209944 20.9691 -91.6864 11.94 2.6993 8.07795 88.5697 TIMING: 1374400 CPU: 3992.2, 0.00290674/step Wall: 3992.2, 0.00290674/step, 2.92741 hours remaining, 206.042969 MB of memory in use. ENERGY: 1374400 734.2528 2126.0224 1956.7209 105.6141 -206533.0066 17905.6022 0.0000 0.0000 34347.5020 -149357.2921 299.9653 -183704.7941 -149256.9651 299.0572 -7.6966 26.4178 556439.7084 -12.4086 -12.5507 PRESSURE: 1374600 289.607 -127.354 -20.3604 -127.353 267.185 -143.227 -20.3591 -143.227 17.1132 GPRESSURE: 1374600 356.438 -172.713 -80.1577 -56.8825 262.455 -46.8991 -58.3248 -98.5537 53.4915 PRESSAVG: 1374600 -0.673561 -10.9986 37.7574 -10.9985 -6.19836 30.1268 37.7574 30.1268 32.6375 GPRESSAVG: 1374600 -0.459237 -9.3727 38.181 -12.6076 -6.21467 30.4405 39.1276 29.7432 32.3434 TIMING: 1374600 CPU: 3992.79, 0.00290771/step Wall: 3992.79, 0.00290771/step, 2.92823 hours remaining, 206.289062 MB of memory in use. ENERGY: 1374600 763.8664 2111.7894 1964.1366 118.5441 -206848.9429 18287.2276 0.0000 0.0000 34215.8207 -149387.5580 298.8153 -183603.3788 -149286.7893 299.2623 191.3019 224.1282 555036.8282 8.5885 8.5565 PRESSURE: 1374800 -293.652 -150.426 -171.373 -150.428 -409.333 56.221 -171.374 56.2213 -281.165 GPRESSURE: 1374800 -320.077 -98.3842 -130.817 -170.93 -348.287 63.4144 -183.82 39.0969 -236.354 PRESSAVG: 1374800 11.5538 -52.029 -36.9797 -52.029 -56.0005 29.6153 -36.9797 29.6154 30.1077 GPRESSAVG: 1374800 10.2392 -51.7897 -35.4741 -50.6372 -55.7849 28.7544 -37.8878 28.7964 30.7794 TIMING: 1374800 CPU: 3993.37, 0.00289687/step Wall: 3993.37, 0.00289687/step, 2.91715 hours remaining, 206.289062 MB of memory in use. ENERGY: 1374800 776.3707 2114.8334 1972.9626 107.3482 -205666.9741 17323.0322 0.0000 0.0000 33996.0764 -149376.3505 296.8962 -183372.4270 -149281.5027 298.7913 -328.0501 -301.5728 556853.5217 -4.7797 -4.9221 PRESSURE: 1375000 -304.863 70.9598 -0.492977 70.9601 -179.702 -55.8827 -0.491978 -55.8842 -79.3774 GPRESSURE: 1375000 -280.938 133.389 -32.9106 -3.77523 -137.158 -45.3199 34.3407 -76.5051 -55.1873 PRESSAVG: 1375000 6.44199 36.0743 24.357 36.0743 -52.3383 13.8675 24.357 13.8674 30.3941 GPRESSAVG: 1375000 7.0621 34.7533 22.1097 36.8105 -52.7844 14.5589 22.7394 15.1371 30.2229 TIMING: 1375000 CPU: 3993.95, 0.0028974/step Wall: 3993.95, 0.0028974/step, 2.91752 hours remaining, 206.289062 MB of memory in use. ENERGY: 1375000 729.1585 2145.9929 1981.4982 121.0725 -205879.8146 17482.9814 0.0000 0.0000 33961.8918 -149457.2192 296.5976 -183419.1110 -149361.1044 298.7348 -187.9808 -157.7611 558724.1698 -5.1674 -5.1665 PRESSURE: 1375200 -101.205 -53.942 -184.12 -53.9418 196.02 63.9362 -184.119 63.9357 -61.0187 GPRESSURE: 1375200 -45.2099 -35.2692 -238.815 6.18712 203.917 180.439 -114.788 64.4164 -34.5857 PRESSAVG: 1375200 -72.7554 -2.4891 -38.2212 -2.4892 -58.7899 13.5573 -38.2212 13.5573 58.64 GPRESSAVG: 1375200 -73.6687 -0.800958 -37.6118 -5.40749 -58.4777 12.5778 -35.5545 12.7076 59.2954 TIMING: 1375200 CPU: 3994.53, 0.00290534/step Wall: 3994.53, 0.00290534/step, 2.92536 hours remaining, 206.289062 MB of memory in use. ENERGY: 1375200 733.9382 2123.3132 1985.4319 124.5275 -206093.4932 17834.9873 0.0000 0.0000 34062.2397 -149229.0553 297.4740 -183291.2950 -149138.5717 298.9406 11.2653 41.3737 556974.4719 -24.3017 -24.2837 PRESSURE: 1375400 -117.686 -62.317 -153.66 -62.3171 -13.2891 148.897 -153.661 148.897 132.355 GPRESSURE: 1375400 -82.1481 -96.2211 -168.544 127.064 26.7213 187.1 -97.833 165.599 152.325 PRESSAVG: 1375400 -46.455 -4.99066 -44.1674 -4.99066 80.762 39.5329 -44.1675 39.533 -19.6891 GPRESSAVG: 1375400 -46.5943 -6.51189 -45.4817 -4.33242 81.4292 37.3486 -43.2757 44.0186 -20.021 TIMING: 1375400 CPU: 3995.11, 0.0029006/step Wall: 3995.11, 0.0029006/step, 2.92042 hours remaining, 206.289062 MB of memory in use. ENERGY: 1375400 735.7786 2124.0308 1990.9125 107.4887 -206466.1788 17927.3789 0.0000 0.0000 34214.6757 -149365.9136 298.8053 -183580.5893 -149272.9065 298.8066 0.4599 32.2994 557604.9309 4.8726 4.9380 PRESSURE: 1375600 -23.5994 -160.773 48.2967 -160.774 -293.44 -97.021 48.2959 -97.0219 -416.666 GPRESSURE: 1375600 -0.600152 -120.857 30.3611 -90.9181 -245.082 -102.556 73.1011 -107.177 -395.976 PRESSAVG: 1375600 26.7765 10.688 -9.57502 10.688 21.752 -14.1042 -9.57505 -14.1042 -36.2563 GPRESSAVG: 1375600 27.8205 12.8428 -7.38589 10.2358 19.8761 -10.8045 -11.3289 -17.8414 -34.9163 TIMING: 1375600 CPU: 3995.69, 0.00291439/step Wall: 3995.69, 0.00291439/step, 2.93414 hours remaining, 206.289062 MB of memory in use. ENERGY: 1375600 745.7135 2077.8105 1953.0689 109.1929 -206174.0053 17687.3392 0.0000 0.0000 34120.7498 -149480.1304 297.9850 -183600.8803 -149382.5396 298.5300 -244.5685 -213.8862 558241.5368 4.0907 4.2601 PRESSURE: 1375800 157.055 2.48523 115.592 2.48424 15.2025 89.7237 115.592 89.7259 -369.803 GPRESSURE: 1375800 184.233 -74.3489 57.4247 -57.2043 48.2117 152.475 89.143 -19.6845 -342.224 PRESSAVG: 1375800 52.7263 9.13563 19.6838 9.13566 60.3408 28.2822 19.6838 28.2822 -146.171 GPRESSAVG: 1375800 53.1757 6.4041 18.7497 12.1319 61.8 27.8126 20.3967 28.3032 -147.538 TIMING: 1375800 CPU: 3996.27, 0.00290533/step Wall: 3996.27, 0.00290533/step, 2.92486 hours remaining, 206.289062 MB of memory in use. ENERGY: 1375800 741.0100 2102.0596 1962.6680 111.7095 -206299.9735 17750.8118 0.0000 0.0000 34010.4071 -149621.3074 297.0213 -183631.7145 -149528.1640 298.1279 -65.8485 -36.5932 555457.8888 -11.0346 -10.8542 PRESSURE: 1376000 -142.692 -164.335 87.4047 -164.335 302.764 11.5063 87.4048 11.5065 -0.719379 GPRESSURE: 1376000 -85.4995 -135.853 10.0714 -215.325 318.677 49.3941 117.086 -30.5383 12.851 PRESSAVG: 1376000 41.2598 -5.42343 47.8309 -5.42342 28.6678 13.1158 47.831 13.1158 -83.441 GPRESSAVG: 1376000 41.9474 -5.33294 49.3503 -7.13333 26.923 11.8735 45.8092 13.8508 -82.2772 TIMING: 1376000 CPU: 3996.85, 0.00289339/step Wall: 3996.85, 0.00289339/step, 2.91268 hours remaining, 206.289062 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: 1376000 771.5114 2131.3390 1965.9292 117.8535 -206962.6841 18150.2717 0.0000 0.0000 34222.3478 -149603.4314 298.8723 -183825.7793 -149504.4882 298.2320 53.1176 82.0095 556392.0054 -4.5045 -4.4689 PRESSURE: 1376200 99.1362 -203.563 42.4824 -203.562 -91.1464 -0.936992 42.4817 -0.935333 20.9418 GPRESSURE: 1376200 123.105 -211.406 21.4122 -149.904 -57.6904 -63.5997 -28.154 6.44802 48.9825 PRESSAVG: 1376200 37.2461 -17.4065 5.1122 -17.4065 29.0849 17.1958 5.11227 17.1957 -70.714 GPRESSAVG: 1376200 35.961 -17.2722 1.67005 -17.6506 31.7379 15.4328 6.99689 19.075 -71.7925 TIMING: 1376200 CPU: 3997.43, 0.00289918/step Wall: 3997.43, 0.00289918/step, 2.91835 hours remaining, 206.289062 MB of memory in use. ENERGY: 1376200 729.1516 2109.8194 1961.8000 114.1637 -206471.2606 17803.6584 0.0000 0.0000 34040.1804 -149712.4871 297.2814 -183752.6675 -149623.1149 297.4898 9.6439 38.1323 556826.5272 -1.4610 -1.3645 LDB: ============= START OF LOAD BALANCING ============== 4000.9 LDB: ============== END OF LOAD BALANCING =============== 4000.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4000.9 LDB: ============= START OF LOAD BALANCING ============== 4001.19 LDB: Largest compute 4820 load 0.030079 is 25.6% of average load 0.117652 LDB: Average compute 0.001721 is 1.5% of average load 0.117652 LDB: TIME 4001.19 LOAD: AVG 0.117652 MAX 0.179499 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.855 MB LDB: TIME 4001.19 LOAD: AVG 0.117652 MAX 0.179499 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.855 MB LDB: TIME 4001.19 LOAD: AVG 0.117652 MAX 0.179499 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.855 MB LDB: ============== END OF LOAD BALANCING =============== 4001.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4001.2 PRESSURE: 1376400 -0.799623 -7.54669 231.447 -7.54653 23.3146 -64.4116 231.447 -64.4129 -74.4185 GPRESSURE: 1376400 -13.1904 -34.5119 223.532 31.7066 101.274 -23.3886 209.91 -23.6453 -46.4376 PRESSAVG: 1376400 -24.5137 -39.9148 -5.17121 -39.9149 26.9349 18.23 -5.17121 18.23 -10.1794 GPRESSAVG: 1376400 -24.205 -39.3567 -2.46367 -40.2029 25.8497 21.6901 -6.19564 13.3923 -9.783 TIMING: 1376400 CPU: 3998.02, 0.00296613/step Wall: 3998.02, 0.00296613/step, 2.98557 hours remaining, 206.175781 MB of memory in use. ENERGY: 1376400 774.3501 2084.3737 1936.4889 117.2059 -206473.1784 17905.3236 0.0000 0.0000 34005.5918 -149649.8444 296.9793 -183655.4362 -149554.4428 297.7723 -17.3012 13.8820 555856.0385 -2.5861 -2.7128 PRESSURE: 1376600 -39.4855 -76.3876 70.7229 -76.3871 159.588 -154.202 70.7228 -154.203 -108.562 GPRESSURE: 1376600 -22.7768 -82.1727 108.386 -127.834 152.364 -153.32 53.0237 -204.888 -20.7721 PRESSAVG: 1376600 73.0105 -19.9971 -14.6822 -19.9971 -17.5202 -15.8116 -14.6823 -15.8116 -27.9656 GPRESSAVG: 1376600 72.3544 -19.1509 -13.3209 -20.2125 -16.5195 -15.012 -15.1998 -14.1992 -28.4231 TIMING: 1376600 CPU: 3998.6, 0.00290427/step Wall: 3998.6, 0.00290427/step, 2.92315 hours remaining, 206.378906 MB of memory in use. ENERGY: 1376600 731.5928 2093.8424 1949.2178 106.1731 -206716.9557 17936.7630 0.0000 0.0000 34319.4667 -149579.8999 299.7204 -183899.3667 -149480.5986 297.6538 3.8466 36.2716 557355.8035 9.1749 9.1373 PRESSURE: 1376800 255.014 -69.6071 144.49 -69.6073 -227.684 -34.6573 144.489 -34.6574 372.274 GPRESSURE: 1376800 301.245 37.2568 140.046 -148.398 -162.179 -19.0027 70.0715 -23.8234 359.832 PRESSAVG: 1376800 -47.2144 -22.6067 11.5584 -22.6068 15.4488 -43.7986 11.5584 -43.7986 50.4696 GPRESSAVG: 1376800 -46.5355 -23.5332 10.4955 -20.9711 15.6965 -44.6014 12.0965 -43.9635 49.5279 TIMING: 1376800 CPU: 3999.18, 0.00289088/step Wall: 3999.18, 0.00289088/step, 2.90951 hours remaining, 206.378906 MB of memory in use. ENERGY: 1376800 755.0929 2040.5487 1941.6467 115.5127 -206872.5626 18292.6723 0.0000 0.0000 34047.3448 -149679.7445 297.3439 -183727.0893 -149590.0371 298.0435 133.2013 166.2989 557230.3391 6.2347 6.2297 PRESSURE: 1377000 -6.42321 -94.1244 -26.7203 -94.1254 -342.123 -38.6327 -26.721 -38.6316 46.3313 GPRESSURE: 1377000 40.8667 -38.433 -0.558704 -133.083 -306.994 -115.692 -67.4826 -48.1185 47.5204 PRESSAVG: 1377000 -14.8744 16.6359 11.2608 16.6357 -12.8216 -50.7433 11.2607 -50.7433 27.8671 GPRESSAVG: 1377000 -16.0366 18.3857 11.4057 14.7718 -12.2669 -50.8978 12.1587 -49.8865 28.2148 TIMING: 1377000 CPU: 3999.76, 0.00289498/step Wall: 3999.76, 0.00289498/step, 2.91347 hours remaining, 206.378906 MB of memory in use. ENERGY: 1377000 758.6981 2064.9637 1962.3174 103.8162 -206461.5564 17785.5911 0.0000 0.0000 34098.4809 -149687.6889 297.7905 -183786.1698 -149587.9738 297.3874 -100.7384 -72.8691 555889.0955 0.0570 -0.0296 PRESSURE: 1377200 -379.688 -130.343 -114.957 -130.343 -307.661 111.779 -114.958 111.779 0.71003 GPRESSURE: 1377200 -359.383 -134.872 -96.5225 -141.568 -248.461 152.246 -130.754 150.673 21.8562 PRESSAVG: 1377200 38.4635 -15.4249 7.81674 -15.4248 -88.34 -23.0629 7.81673 -23.063 71.4127 GPRESSAVG: 1377200 39.4905 -18.3862 8.24364 -13.7536 -88.7601 -25.0303 7.07049 -19.9693 70.7333 TIMING: 1377200 CPU: 4000.34, 0.00289411/step Wall: 4000.34, 0.00289411/step, 2.91244 hours remaining, 206.378906 MB of memory in use. ENERGY: 1377200 756.7329 2067.5379 1976.3795 116.8209 -206167.9307 17432.0730 0.0000 0.0000 34252.5693 -149565.8173 299.1362 -183818.3866 -149462.8844 297.4161 -228.8796 -195.3294 557629.4197 7.1787 7.1546 PRESSURE: 1377400 100.677 7.59501 126.683 7.59518 -170.458 10.1128 126.682 10.1137 -1.56154 GPRESSURE: 1377400 110.167 -23.5937 73.3315 45.4608 -121.829 65.3543 136.675 -15.5568 31.5952 PRESSAVG: 1377400 -33.3553 -60.1342 -57.4388 -60.1342 -41.3469 22.7889 -57.4387 22.7888 42.3757 GPRESSAVG: 1377400 -34.0363 -58.2744 -57.5242 -60.2835 -41.7526 23.1676 -55.3036 22.1507 42.9026 TIMING: 1377400 CPU: 4000.92, 0.00292083/step Wall: 4000.92, 0.00292083/step, 2.93916 hours remaining, 206.378906 MB of memory in use. ENERGY: 1377400 769.2922 2125.6562 1978.0377 112.6525 -206452.4891 17849.4595 0.0000 0.0000 34212.5991 -149404.7917 298.7871 -183617.3909 -149302.0965 298.5421 -23.7809 6.6443 556071.7075 -10.7755 -10.9621 PRESSURE: 1377600 -119.389 123.926 -146.159 123.926 -60.3351 87.7142 -146.161 87.7146 -136.665 GPRESSURE: 1377600 -125.346 165.323 -100.707 84.0689 20.6762 80.4405 -80.3528 102.384 -116.595 PRESSAVG: 1377600 36.0398 -11.7026 -36.9746 -11.7026 -43.5175 -8.70987 -36.9746 -8.7099 28.9057 GPRESSAVG: 1377600 36.3403 -13.4443 -37.4929 -12.1087 -44.2886 -7.93017 -36.6109 -10.1749 29.5115 TIMING: 1377600 CPU: 4001.5, 0.00290556/step Wall: 4001.5, 0.00290556/step, 2.92364 hours remaining, 206.378906 MB of memory in use. ENERGY: 1377600 805.8367 2073.1183 1985.4497 118.1072 -206565.3363 17835.5903 0.0000 0.0000 34301.5809 -149445.6532 299.5642 -183747.2340 -149350.1641 298.9228 -105.4631 -73.7549 557887.8452 7.1426 7.1878 PRESSURE: 1377800 -23.7687 -48.6451 132.781 -48.6441 -135.061 40.3257 132.781 40.3251 2.77927 GPRESSURE: 1377800 29.8241 -75.2241 200.654 25.9516 -92.6954 36.8835 140.509 76.517 -0.652274 PRESSAVG: 1377800 41.7786 -24.7868 -21.4558 -24.7868 -34.8006 61.0335 -21.4559 61.0336 18.9939 GPRESSAVG: 1377800 42.6279 -24.4104 -21.2508 -25.5862 -35.625 60.7555 -22.7196 61.3429 18.5758 TIMING: 1377800 CPU: 4002.08, 0.00289273/step Wall: 4002.08, 0.00289273/step, 2.91057 hours remaining, 206.378906 MB of memory in use. ENERGY: 1377800 790.4328 2120.6844 1989.3444 109.3057 -206143.9567 17730.1317 0.0000 0.0000 34205.9363 -149198.1214 298.7289 -183404.0577 -149095.6030 299.2233 -52.0169 -21.1745 556880.5676 8.6573 8.5263 PRESSURE: 1378000 145.152 82.4223 -145.315 82.4228 -135.316 54.3922 -145.314 54.3911 -33.5958 GPRESSURE: 1378000 191.803 43.6127 -129.609 74.4315 -83.4492 23.8635 -236 119.414 -40.9354 PRESSAVG: 1378000 9.26745 55.0375 -14.8301 55.0375 -37.7281 33.9343 -14.83 33.9344 31.0871 GPRESSAVG: 1378000 9.39651 55.499 -14.5334 54.8174 -39.1154 34.7036 -14.277 32.1187 31.5323 TIMING: 1378000 CPU: 4002.66, 0.00288118/step Wall: 4002.66, 0.00288118/step, 2.89879 hours remaining, 206.378906 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: 1378000 685.4013 2155.8091 1972.9364 113.3311 -205959.1256 17717.2171 0.0000 0.0000 34110.8906 -149203.5401 297.8989 -183314.4307 -149106.7803 299.3643 -7.9198 22.4729 558129.8574 0.8755 0.6045 PRESSURE: 1378200 -69.6479 -156.138 -71.0242 -156.139 236.354 -90.7595 -71.0248 -90.7594 -27.9634 GPRESSURE: 1378200 -22.139 -179.583 -43.8485 -44.5023 247.586 -41.7553 -138.247 -155.205 8.56632 PRESSAVG: 1378200 52.9564 21.6463 -34.1325 21.6463 -35.8759 6.8019 -34.1325 6.80185 -43.815 GPRESSAVG: 1378200 52.1268 21.3212 -32.4551 23.6681 -33.5742 5.43742 -35.1454 9.7541 -45.09 TIMING: 1378200 CPU: 4003.24, 0.00290458/step Wall: 4003.24, 0.00290458/step, 2.92217 hours remaining, 206.378906 MB of memory in use. ENERGY: 1378200 768.2938 2109.0021 1980.4669 113.5216 -206370.6392 18038.2396 0.0000 0.0000 34503.9591 -148857.1562 301.3317 -183361.1153 -148761.6805 300.5468 46.2475 78.0043 558615.5723 -8.9115 -8.8458 PRESSURE: 1378400 38.0832 -148.178 -37.2112 -148.176 -171.248 -51.9476 -37.2111 -51.948 117.889 GPRESSURE: 1378400 80.786 -133.468 7.23318 -173.859 -133.511 44.5191 -42.9033 -34.5658 133.235 PRESSAVG: 1378400 34.6138 -34.3324 -29.6867 -34.3324 0.573395 37.7512 -29.6867 37.7512 10.8007 GPRESSAVG: 1378400 34.5971 -35.0189 -28.9817 -34.4475 0.400668 39.0094 -30.7473 36.7072 10.9048 TIMING: 1378400 CPU: 4003.82, 0.00290367/step Wall: 4003.82, 0.00290367/step, 2.9211 hours remaining, 206.378906 MB of memory in use. ENERGY: 1378400 762.0438 2081.7778 1982.7714 116.9792 -206159.0931 18052.3682 0.0000 0.0000 34269.3226 -148893.8302 299.2825 -183163.1528 -148801.8508 300.0827 -5.0920 26.8366 558840.3449 15.3293 15.3009 PRESSURE: 1378600 -27.6415 -12.5065 81.4352 -12.5068 -37.1542 -68.856 81.436 -68.8544 214.598 GPRESSURE: 1378600 -44.1912 -18.3658 72.9287 63.7385 64.623 -115.623 132.571 -22.6013 222.019 PRESSAVG: 1378600 -28.1056 -42.236 -60.2841 -42.2361 -96.8725 23.1786 -60.284 23.1787 97.7544 GPRESSAVG: 1378600 -28.1884 -42.4904 -63.8715 -42.5438 -97.4347 23.854 -57.6972 22.3991 97.9189 TIMING: 1378600 CPU: 4004.4, 0.00289866/step Wall: 4004.4, 0.00289866/step, 2.91589 hours remaining, 206.378906 MB of memory in use. ENERGY: 1378600 730.2380 2078.0874 1960.5205 109.4267 -205821.6090 17788.5158 0.0000 0.0000 34316.2563 -148838.5644 299.6924 -183154.8206 -148737.4621 300.2400 49.9340 80.8168 557259.7764 -9.0746 -9.2347 PRESSURE: 1378800 -183.722 -58.2734 95.4938 -58.2722 54.7388 70.8525 95.4936 70.8536 45.8167 GPRESSURE: 1378800 -116.83 -98.2596 96.47 -35.6234 76.3499 55.7497 73.5522 12.1524 52.0396 PRESSAVG: 1378800 9.63863 7.9658 28.5949 7.96576 51.8263 15.6514 28.5948 15.6513 4.01175 GPRESSAVG: 1378800 10.2175 8.59425 30.7649 8.40749 51.5394 17.626 27.7515 14.8167 3.98357 TIMING: 1378800 CPU: 4004.98, 0.00288765/step Wall: 4004.98, 0.00288765/step, 2.90466 hours remaining, 206.378906 MB of memory in use. ENERGY: 1378800 762.9213 2095.8363 1981.2684 126.7025 -205870.3811 17727.0733 0.0000 0.0000 34429.8845 -148746.6948 300.6847 -183176.5792 -148654.2656 300.3282 -27.7220 3.8533 556075.5978 21.8256 21.9135 PRESSURE: 1379000 -243.647 142.803 30.0395 142.803 -283.434 154.946 30.0378 154.947 23.5061 GPRESSURE: 1379000 -209.075 118.761 44.4557 102.926 -252.281 149.643 169.442 144.495 60.882 PRESSAVG: 1379000 -8.65778 52.9819 25.0165 52.982 -24.3409 -35.0628 25.0166 -35.0627 63.7058 GPRESSAVG: 1379000 -8.73399 50.9585 23.5513 51.9562 -23.5256 -36.8581 25.2924 -33.6564 63.6295 TIMING: 1379000 CPU: 4005.56, 0.00289379/step Wall: 4005.56, 0.00289379/step, 2.91067 hours remaining, 206.449219 MB of memory in use. ENERGY: 1379000 728.9656 2100.4490 1966.5465 127.3991 -205382.9221 17464.1388 0.0000 0.0000 34336.0753 -148659.3477 299.8655 -182995.4230 -148568.2254 301.2075 -167.8583 -133.4913 558967.6911 10.2357 10.4566 PRESSURE: 1379200 169.678 -30.8192 -6.71938 -30.8185 -85.1399 101.994 -6.71931 101.994 -85.6534 GPRESSURE: 1379200 214.65 -16.6137 -0.190031 20.3505 -35.5403 106.873 42.7246 114.632 -97.4482 PRESSAVG: 1379200 50.9721 50.9866 25.9771 50.9866 -45.2423 0.383936 25.977 0.384012 2.97977 GPRESSAVG: 1379200 50.5718 53.7149 26.5301 50.8104 -45.666 -0.865827 26.4308 2.35146 3.59536 TIMING: 1379200 CPU: 4006.14, 0.00290947/step Wall: 4006.14, 0.00290947/step, 2.92628 hours remaining, 206.523438 MB of memory in use. ENERGY: 1379200 799.4890 2056.0667 1959.1929 114.8251 -205947.1878 17752.1568 0.0000 0.0000 34439.1373 -148826.3200 300.7656 -183265.4573 -148728.8188 300.4574 -0.3716 27.2205 556361.6477 2.9032 2.8337 PRESSURE: 1379400 16.6352 -7.21841 -44.887 -7.21879 43.0913 -17.4995 -44.8871 -17.4981 -130.108 GPRESSURE: 1379400 14.8174 -46.5512 15.6687 -47.8995 86.2247 18.119 -86.5379 -35.3411 -79.0745 PRESSAVG: 1379400 -12.031 -26.5566 5.12633 -26.5567 9.34709 -8.31119 5.12632 -8.31132 -4.89046 GPRESSAVG: 1379400 -12.1836 -26.2557 4.5988 -26.4845 10.9073 -7.55376 3.51567 -9.18106 -5.83721 TIMING: 1379400 CPU: 4006.72, 0.00290532/step Wall: 4006.72, 0.00290532/step, 2.92194 hours remaining, 206.523438 MB of memory in use. ENERGY: 1379400 771.1627 2114.9186 1949.7891 112.2591 -205864.4889 17608.9410 0.0000 0.0000 34505.4522 -148801.9662 301.3447 -183307.4184 -148705.7823 300.7750 -23.4606 7.3225 556633.6767 -2.5248 -2.3712 PRESSURE: 1379600 -187.584 -11.8028 -108.569 -11.8019 -51.2759 155.446 -108.568 155.445 -190.469 GPRESSURE: 1379600 -146.585 -88.1835 -49.186 44.3692 -34.4164 103.896 -110.582 199.414 -139.583 PRESSAVG: 1379600 -14.4899 -20.9143 -33.9971 -20.9143 43.5804 -3.35442 -33.9971 -3.35444 -8.62996 GPRESSAVG: 1379600 -12.5429 -20.7479 -33.7533 -21.0988 41.7838 -3.66487 -35.3866 -5.06492 -8.32029 TIMING: 1379600 CPU: 4007.3, 0.00292373/step Wall: 4007.3, 0.00292373/step, 2.9403 hours remaining, 206.523438 MB of memory in use. ENERGY: 1379600 756.0942 2114.7551 1971.8430 124.8997 -205765.4813 17473.4612 0.0000 0.0000 34345.4962 -148978.9319 299.9478 -183324.4281 -148877.3450 300.1854 -143.1095 -106.8616 557484.6670 6.8202 6.9735 PRESSURE: 1379800 67.4531 52.1625 67.1767 52.1629 102.157 27.5787 67.1782 27.5784 -106.601 GPRESSURE: 1379800 91.3907 98.534 66.6461 7.20502 164.773 28.7044 31.7992 10.9763 -79.2966 PRESSAVG: 1379800 1.63157 9.94029 40.8871 9.94032 1.78731 -14.9318 40.8872 -14.9317 -28.4137 GPRESSAVG: 1379800 -0.320627 8.89066 41.1641 11.6383 3.05953 -15.4157 42.7914 -13.9042 -27.7776 TIMING: 1379800 CPU: 4007.89, 0.00290599/step Wall: 4007.89, 0.00290599/step, 2.9223 hours remaining, 206.523438 MB of memory in use. ENERGY: 1379800 750.9217 2171.7707 1975.0129 125.5345 -206159.8113 17793.9339 0.0000 0.0000 34329.2506 -149013.3870 299.8059 -183342.6376 -148919.3892 299.8451 21.0030 58.9556 557096.4284 -8.3316 -8.3462 PRESSURE: 1380000 -237.336 45.5072 -7.43214 45.5075 -22.6938 184.292 -7.43243 184.292 -107.363 GPRESSURE: 1380000 -155.565 97.5028 38.8487 62.736 -8.80406 220.292 11.1736 117.661 -115.298 PRESSAVG: 1380000 -5.99969 -8.31854 20.8601 -8.31851 18.09 -38.5249 20.8601 -38.5249 -24.5091 GPRESSAVG: 1380000 -4.91752 -8.52553 21.3915 -7.61021 16.7554 -39.0465 19.6453 -39.7292 -24.1858 TIMING: 1380000 CPU: 4008.46, 0.00289004/step Wall: 4008.46, 0.00289004/step, 2.9061 hours remaining, 206.523438 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: 1380000 747.9637 2125.7779 1961.1624 125.6573 -205801.1727 17640.4361 0.0000 0.0000 34295.1302 -148905.0451 299.5079 -183200.1753 -148806.8786 299.6743 -122.4643 -93.2222 558706.9682 -4.1396 -4.1160 PRESSURE: 1380200 -60.2567 -76.6707 75.6647 -76.6704 95.663 -58.2796 75.6656 -58.2795 252.193 GPRESSURE: 1380200 -33.9247 -39.17 108.63 -68.4444 137.331 -77.4909 56.1466 -35.708 283.558 PRESSAVG: 1380200 -16.4058 -13.1269 -28.7766 -13.1269 8.41604 -35.5165 -28.7766 -35.5166 -42.0141 GPRESSAVG: 1380200 -16.1285 -12.7011 -29.3761 -14.4627 9.40974 -34.8525 -27.4818 -35.235 -43.1521 TIMING: 1380200 CPU: 4009.04, 0.00289262/step Wall: 4009.04, 0.00289262/step, 2.90853 hours remaining, 206.523438 MB of memory in use. ENERGY: 1380200 726.2939 2131.9556 1968.4940 104.3985 -205998.6252 17807.9934 0.0000 0.0000 34319.0070 -148940.4829 299.7164 -183259.4899 -148853.2163 299.4941 95.8666 128.9882 556710.6725 -16.6680 -16.6236 LDB: ============= START OF LOAD BALANCING ============== 4012.51 LDB: ============== END OF LOAD BALANCING =============== 4012.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.51 LDB: ============= START OF LOAD BALANCING ============== 4012.8 LDB: Largest compute 4820 load 0.029252 is 24.9% of average load 0.117648 LDB: Average compute 0.001730 is 1.5% of average load 0.117648 LDB: TIME 4012.8 LOAD: AVG 0.117648 MAX 0.17904 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.66 MB LDB: TIME 4012.8 LOAD: AVG 0.117648 MAX 0.17904 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.66 MB LDB: TIME 4012.8 LOAD: AVG 0.117648 MAX 0.17904 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.66 MB LDB: ============== END OF LOAD BALANCING =============== 4012.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.81 PRESSURE: 1380400 -94.1932 -93.7256 109.457 -93.7272 242.413 -169.202 109.455 -169.203 137.686 GPRESSURE: 1380400 -24.2408 -109.841 78.073 -64.304 218.845 -59.6629 169.527 -148.45 181.594 PRESSAVG: 1380400 -34.6393 -30.2056 17.2271 -30.2056 -49.1829 -23.3153 17.2271 -23.3153 63.3096 GPRESSAVG: 1380400 -34.4855 -30.1048 17.4476 -31.4491 -50.0273 -21.7675 16.8995 -23.4694 64.5094 TIMING: 1380400 CPU: 4009.64, 0.00296441/step Wall: 4009.64, 0.00296441/step, 2.98055 hours remaining, 205.007812 MB of memory in use. ENERGY: 1380400 708.4566 2072.6006 1980.6183 123.3702 -206133.9212 18072.7711 0.0000 0.0000 34377.3569 -148798.7475 300.2260 -183176.1043 -148706.7264 300.3040 95.3021 125.3993 559071.1617 -6.8375 -6.6678 PRESSURE: 1380600 -110.565 48.6727 84.0173 48.6738 -157.495 -83.1395 84.0173 -83.1395 281.105 GPRESSURE: 1380600 -119.051 58.4638 117.054 39.0739 -76.9596 -153.533 57.5807 -62.5794 306.245 PRESSAVG: 1380600 -40.9877 -20.8379 20.0963 -20.8379 62.2725 7.49284 20.0964 7.49282 -34.9469 GPRESSAVG: 1380600 -41.3436 -21.8636 19.7595 -18.9469 63.16 5.32606 19.7757 9.65929 -35.615 TIMING: 1380600 CPU: 4010.22, 0.00290462/step Wall: 4010.22, 0.00290462/step, 2.92028 hours remaining, 205.207031 MB of memory in use. ENERGY: 1380600 770.5521 2096.7740 1927.8535 111.0471 -205886.7104 17833.8181 0.0000 0.0000 34213.9719 -148932.6937 298.7991 -183146.6657 -148839.9132 299.9854 4.3481 36.7449 558292.2338 -4.5540 -4.5995 PRESSURE: 1380800 -20.0279 -18.7582 176.639 -18.7579 159.601 -37.5635 176.638 -37.5632 -115.03 GPRESSURE: 1380800 9.33435 19.5523 194.566 -82.6423 145.95 32.0657 192.652 -26.6585 -41.9959 PRESSAVG: 1380800 -35.7107 -61.368 49.15 -61.368 56.6661 0.98621 49.1498 0.986199 -29.5019 GPRESSAVG: 1380800 -36.2069 -60.6239 48.6193 -63.17 56.6586 3.82115 50.766 0.335563 -29.2417 TIMING: 1380800 CPU: 4010.8, 0.00289734/step Wall: 4010.8, 0.00289734/step, 2.91279 hours remaining, 205.207031 MB of memory in use. ENERGY: 1380800 703.0047 2117.3572 1947.0976 116.7375 -205805.8045 17655.8814 0.0000 0.0000 34380.8472 -148884.8787 300.2565 -183265.7260 -148791.0741 299.8510 8.1810 37.7626 557749.4287 -2.8488 -2.9300 PRESSURE: 1381000 -24.4368 -103.568 101.181 -103.569 -17.1311 57.6504 101.182 57.6509 193.301 GPRESSURE: 1381000 37.2587 -114.747 182.385 -85.1204 27.336 29.1031 139.141 103.655 189.838 PRESSAVG: 1381000 16.0166 -12.4846 51.8259 -12.4846 38.0526 13.2282 51.8259 13.2282 -15.0889 GPRESSAVG: 1381000 17.2906 -15.7225 52.1881 -10.8143 37.2725 10.5135 52.2505 11.9725 -14.9698 TIMING: 1381000 CPU: 4011.38, 0.00290369/step Wall: 4011.38, 0.00290369/step, 2.91902 hours remaining, 205.207031 MB of memory in use. ENERGY: 1381000 738.1369 2001.7719 1957.9264 113.7303 -206263.1772 17976.8103 0.0000 0.0000 34477.0948 -148997.7066 301.0970 -183474.8014 -148898.3044 299.4724 50.5778 84.8109 557829.9420 12.9934 13.1978 PRESSURE: 1381200 45.5937 24.4188 -17.6263 24.4183 -340.968 -51.7276 -17.6264 -51.7274 -157.525 GPRESSURE: 1381200 45.518 33.17 -6.42613 106.894 -242.768 -46.9647 31.3309 -76.9849 -152.33 PRESSAVG: 1381200 -25.7855 25.2459 52.8512 25.2459 -36.9082 -53.224 52.8512 -53.2241 40.2191 GPRESSAVG: 1381200 -26.2057 27.1952 54.7842 24.8993 -35.8615 -50.1891 51.2746 -54.077 40.1642 TIMING: 1381200 CPU: 4011.95, 0.00289355/step Wall: 4011.95, 0.00289355/step, 2.90866 hours remaining, 205.207031 MB of memory in use. ENERGY: 1381200 757.8900 2122.3428 1973.9861 124.5193 -206047.6773 17582.5522 0.0000 0.0000 34483.9154 -149002.4715 301.1566 -183486.3869 -148904.5450 300.0709 -150.9665 -116.5269 558183.1166 -7.4915 -7.3010 PRESSURE: 1381400 -162.001 -190.517 -140.135 -190.516 -37.5464 134.696 -140.135 134.698 62.0895 GPRESSURE: 1381400 -115.588 -167.595 -94.7712 -226.073 -29.1623 55.6391 -91.8548 162.308 96.5995 PRESSAVG: 1381400 9.50722 -21.5277 53.9655 -21.5277 -26.029 45.6359 53.9656 45.636 49.7043 GPRESSAVG: 1381400 10.5572 -21.8819 52.9961 -21.3565 -26.8496 45.6968 55.4891 45.2662 49.1824 TIMING: 1381400 CPU: 4012.53, 0.00290014/step Wall: 4012.53, 0.00290014/step, 2.91513 hours remaining, 205.207031 MB of memory in use. ENERGY: 1381400 775.6995 2077.0988 1971.5336 112.8872 -205851.8856 17594.6280 0.0000 0.0000 34219.2687 -149100.7698 298.8454 -183320.0385 -149005.4370 299.6419 -45.8192 -16.0501 557138.1593 11.0608 10.9633 PRESSURE: 1381600 -206.368 -16.4281 -25.7291 -16.4284 -323.049 -17.9476 -25.7285 -17.9481 65.6511 GPRESSURE: 1381600 -145.785 -38.0157 -40.6096 -25.9161 -258.348 72.3754 -66.6363 21.7269 31.9288 PRESSAVG: 1381600 -30.228 -73.533 2.39122 -73.533 -38.9274 12.2193 2.39119 12.2194 70.6268 GPRESSAVG: 1381600 -30.6078 -72.6713 1.50783 -73.5432 -39.6723 10.6243 2.52308 13.3542 72.2606 TIMING: 1381600 CPU: 4013.12, 0.00290278/step Wall: 4013.12, 0.00290278/step, 2.91762 hours remaining, 205.207031 MB of memory in use. ENERGY: 1381600 761.2893 2100.9373 1958.5601 109.8923 -205850.9315 17623.2205 0.0000 0.0000 34118.5601 -149178.4719 297.9659 -183297.0319 -149081.4254 299.1022 -154.5888 -124.0679 557646.1301 0.4905 0.6602 PRESSURE: 1381800 85.1613 -60.6958 10.9624 -60.6965 -149.518 -30.0472 10.963 -30.0488 104.372 GPRESSURE: 1381800 103.639 -6.95521 12.1189 -158.564 -107.362 65.5547 -46.7271 -74.2036 144.13 PRESSAVG: 1381800 11.4769 -21.2176 -4.19591 -21.2176 -29.3907 19.062 -4.19594 19.0619 24.4827 GPRESSAVG: 1381800 10.3205 -21.607 -2.99687 -21.6529 -27.7181 19.6146 -7.55371 20.0007 23.4113 TIMING: 1381800 CPU: 4013.7, 0.00290539/step Wall: 4013.7, 0.00290539/step, 2.92008 hours remaining, 205.207031 MB of memory in use. ENERGY: 1381800 744.8593 2066.8398 1966.3682 104.2337 -206078.7290 17804.6912 0.0000 0.0000 34275.0733 -149116.6636 299.3327 -183391.7368 -149018.5122 298.9794 13.3386 46.8025 558302.4357 2.1896 2.0046 PRESSURE: 1382000 -261.454 1.62615 -179.632 1.62473 73.7999 50.6544 -179.633 50.6562 -213.842 GPRESSURE: 1382000 -248.695 31.8476 -160.972 -36.6154 91.3231 53.0006 -187.967 21.9019 -154.22 PRESSAVG: 1382000 25.3661 15.265 -30.9384 15.265 9.65057 4.68657 -30.9384 4.68663 -52.3143 GPRESSAVG: 1382000 26.075 16.0266 -33.6132 14.5627 9.38565 6.29685 -27.7432 1.11272 -52.3958 TIMING: 1382000 CPU: 4014.28, 0.00292899/step Wall: 4014.28, 0.00292899/step, 2.94363 hours remaining, 205.207031 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: 1382000 737.4866 2043.6381 1948.7315 105.8015 -205546.9714 17452.2996 0.0000 0.0000 34264.5699 -148994.4441 299.2410 -183259.0140 -148894.0240 299.0244 -133.8320 -103.8640 559129.0471 -5.7659 -5.6450 PRESSURE: 1382200 15.7528 -22.5827 32.6804 -22.5836 -144.165 142.682 32.6795 142.683 50.0042 GPRESSURE: 1382200 91.4286 -38.4205 126.845 21.3649 -96.727 166.006 -11.2418 181.949 33.0139 PRESSAVG: 1382200 9.30761 -61.9505 33.0904 -61.9504 -73.522 15.8353 33.0905 15.8354 -3.42503 GPRESSAVG: 1382200 10.6536 -63.5016 33.8912 -59.981 -74.5139 13.7651 32.1 19.8731 -3.86164 TIMING: 1382200 CPU: 4014.87, 0.00291747/step Wall: 4014.87, 0.00291747/step, 2.9319 hours remaining, 205.207031 MB of memory in use. ENERGY: 1382200 732.0871 2124.3045 1952.0975 107.8072 -205986.7820 17827.8507 0.0000 0.0000 34333.3281 -148909.3068 299.8415 -183242.6349 -148810.7376 299.9104 -26.1359 9.2385 558119.6501 -22.5465 -22.5740 PRESSURE: 1382400 -203.543 -50.8912 -21.7164 -50.8916 141.7 -228.021 -21.7166 -228.022 -148.303 GPRESSURE: 1382400 -220.152 -4.0016 -104.797 -67.6535 131.759 -208.725 -49.3228 -228.843 -23.8966 PRESSAVG: 1382400 34.1736 -7.09254 -19.8995 -7.09259 9.03597 -20.2389 -19.8994 -20.2388 44.7354 GPRESSAVG: 1382400 33.6273 -4.57218 -21.38 -9.01027 9.0812 -18.5736 -20.1066 -21.1165 45.8489 TIMING: 1382400 CPU: 4015.45, 0.00291634/step Wall: 4015.45, 0.00291634/step, 2.9306 hours remaining, 205.207031 MB of memory in use. ENERGY: 1382400 719.8078 2040.2489 1957.8758 114.9938 -205658.6139 17531.4197 0.0000 0.0000 34385.3544 -148908.9135 300.2959 -183294.2679 -148805.8012 299.5071 -70.0486 -37.4299 557975.4169 29.3150 29.5191 PRESSURE: 1382600 -316.596 -103.635 -161.069 -103.637 187.221 -47.6369 -161.069 -47.6364 -129.613 GPRESSURE: 1382600 -246.121 -73.3493 -128.027 -142.748 249.605 -116.873 -149.273 -28.2167 -164.146 PRESSAVG: 1382600 58.1008 -4.04202 -8.26661 -4.04201 -20.1606 -9.7308 -8.26655 -9.73077 -4.33835 GPRESSAVG: 1382600 58.2378 -6.66369 -8.18278 -4.09264 -19.6701 -11.0865 -8.21882 -9.44301 -4.6244 TIMING: 1382600 CPU: 4016.02, 0.00287473/step Wall: 4016.02, 0.00287473/step, 2.88863 hours remaining, 205.207031 MB of memory in use. ENERGY: 1382600 738.8733 2061.3085 1937.2328 104.6430 -205840.6463 17631.5548 0.0000 0.0000 34212.5860 -149154.4478 298.7870 -183367.0338 -149064.0514 299.7104 -86.3294 -53.5541 557905.7248 11.2006 11.3144 PRESSURE: 1382800 -137.488 -9.87273 -40.2287 -9.87298 -46.2497 134.031 -40.2298 134.031 -100.471 GPRESSURE: 1382800 -88.3115 -113.042 -92.1702 105.252 30.4329 109.636 -13.3618 146.752 -135.227 PRESSAVG: 1382800 28.1808 10.6748 -36.9713 10.6747 -26.6445 -29.2194 -36.9713 -29.2194 -7.71328 GPRESSAVG: 1382800 28.8399 11.8032 -36.1896 10.9025 -27.5346 -31.4816 -37.8116 -30.0221 -7.8729 TIMING: 1382800 CPU: 4016.6, 0.00289865/step Wall: 4016.6, 0.00289865/step, 2.9125 hours remaining, 205.207031 MB of memory in use. ENERGY: 1382800 744.9210 2064.5942 1935.7989 122.3529 -206038.5366 17677.7567 0.0000 0.0000 34280.2029 -149212.9099 299.3775 -183493.1129 -149123.5711 298.9614 -94.7363 -64.3686 555927.5995 -2.0590 -2.1892 PRESSURE: 1383000 -245.908 10.7691 109.82 10.7695 -49.5941 76.2314 109.82 76.2298 -135.455 GPRESSURE: 1383000 -173.621 -22.055 108.574 9.18367 -52.5336 154.764 159.916 -16.8301 -94.4206 PRESSAVG: 1383000 54.6875 -27.926 3.6886 -27.926 -51.5098 117.644 3.68861 117.644 -2.86833 GPRESSAVG: 1383000 54.1728 -28.3611 4.59168 -28.4472 -50.8537 120.326 2.96254 116.435 -2.31338 TIMING: 1383000 CPU: 4017.18, 0.00289502/step Wall: 4017.18, 0.00289502/step, 2.90869 hours remaining, 205.207031 MB of memory in use. ENERGY: 1383000 745.7051 2078.0520 1963.2155 98.6085 -206117.1184 17806.7786 0.0000 0.0000 34310.7620 -149113.9967 299.6444 -183424.7586 -149011.9235 299.8816 -143.6524 -106.8585 557353.9763 0.1031 0.3352 PRESSURE: 1383200 231.481 56.0034 -102.686 56.0031 75.1686 -15.455 -102.685 -15.4547 -258.883 GPRESSURE: 1383200 216.922 55.1031 -115.531 50.4664 134.81 39.4593 -14.6192 49.4845 -206.115 PRESSAVG: 1383200 -2.20177 -34.8613 0.210262 -34.8613 31.3059 102.155 0.210293 102.155 -43.6317 GPRESSAVG: 1383200 -2.2518 -35.5287 -1.67385 -33.5448 32.4487 99.9865 1.96025 104.23 -44.6474 TIMING: 1383200 CPU: 4017.76, 0.00290585/step Wall: 4017.76, 0.00290585/step, 2.91941 hours remaining, 205.207031 MB of memory in use. ENERGY: 1383200 745.0587 2130.3780 1968.7626 97.6164 -206069.1419 17737.5031 0.0000 0.0000 34279.3743 -149110.4488 299.3703 -183389.8231 -149017.8665 299.1196 15.9219 48.5390 556830.0523 -4.8425 -4.8168 PRESSURE: 1383400 -381.841 61.657 126.397 61.6573 -22.3727 1.53684 126.398 1.53493 441.297 GPRESSURE: 1383400 -251.233 59.3921 146.274 97.677 -11.8312 47.1055 38.0047 -24.4458 403.286 PRESSAVG: 1383400 -29.0957 16.0044 37.5732 16.0044 -17.8017 -19.6846 37.5733 -19.6845 12.8029 GPRESSAVG: 1383400 -29.0943 15.6482 38.054 14.9995 -18.2142 -20.5892 38.5641 -18.9105 13.8188 TIMING: 1383400 CPU: 4018.35, 0.00291085/step Wall: 4018.35, 0.00291085/step, 2.92427 hours remaining, 205.207031 MB of memory in use. ENERGY: 1383400 721.0512 2082.7289 1942.6675 114.1895 -205920.9724 17699.8576 0.0000 0.0000 34448.2851 -148912.1926 300.8454 -183360.4778 -148820.3942 300.4828 12.3609 46.7406 556669.6673 -11.3649 -11.1633 PRESSURE: 1383600 -76.4592 58.3436 10.7544 58.3428 21.8792 174.999 10.7557 174.999 -5.0792 GPRESSURE: 1383600 -40.6826 75.0399 10.8372 69.4146 50.2826 231.298 -53.0909 109.46 40.3953 PRESSAVG: 1383600 -53.2525 38.0966 -0.924639 38.0966 -15.9645 44.5943 -0.924641 44.5943 49.9116 GPRESSAVG: 1383600 -53.9668 37.5111 -1.10639 39.1404 -15.0723 43.8509 -1.78241 43.3928 49.7126 TIMING: 1383600 CPU: 4018.92, 0.00288963/step Wall: 4018.92, 0.00288963/step, 2.9028 hours remaining, 205.207031 MB of memory in use. ENERGY: 1383600 724.4644 2070.3024 1961.0354 127.2879 -206001.3746 17723.6164 0.0000 0.0000 34235.0136 -149159.6544 298.9829 -183394.6681 -149069.3795 300.2556 -19.8864 16.6651 558370.0238 -6.4351 -6.4422 PRESSURE: 1383800 -54.7878 -28.5977 -104.128 -28.5979 -62.787 35.5887 -104.127 35.5877 10.498 GPRESSURE: 1383800 -49.9879 -22.7253 -94.6215 23.7353 -15.7993 127.61 -135.868 43.2531 44.299 PRESSAVG: 1383800 29.5818 -53.0095 -12.4381 -53.0094 -34.2509 34.7201 -12.4381 34.72 44.3387 GPRESSAVG: 1383800 30.7491 -51.8618 -13.8592 -53.4801 -36.4187 36.1599 -11.919 34.7687 45.3182 TIMING: 1383800 CPU: 4019.51, 0.00290755/step Wall: 4019.51, 0.00290755/step, 2.92063 hours remaining, 205.207031 MB of memory in use. ENERGY: 1383800 729.5735 2132.8369 1962.5986 106.9960 -205771.1574 17647.2811 0.0000 0.0000 34206.7318 -148985.1394 298.7359 -183191.8712 -148894.1312 299.5404 -35.6922 -7.1627 557423.1282 13.2232 13.2162 PRESSURE: 1384000 -112.774 126.247 -8.87615 126.246 37.2594 -36.4241 -8.87455 -36.4228 82.0444 GPRESSURE: 1384000 -58.4212 85.3198 -6.54207 159.576 58.5007 -45.6363 -22.502 -69.7573 94.1868 PRESSAVG: 1384000 2.93745 35.5217 2.29126 35.5217 -20.8238 -13.9515 2.29125 -13.9515 45.8091 GPRESSAVG: 1384000 2.63423 33.8973 3.08761 36.6728 -19.1823 -13.6838 3.39751 -14.8896 44.4694 TIMING: 1384000 CPU: 4020.09, 0.00292098/step Wall: 4020.09, 0.00292098/step, 2.93397 hours remaining, 205.207031 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: 1384000 742.8691 2049.5662 1984.0356 125.6927 -206065.2319 17773.9480 0.0000 0.0000 34460.0310 -148929.0891 300.9480 -183389.1201 -148834.3201 300.5435 2.1767 31.4221 557328.9619 9.3076 9.3071 PRESSURE: 1384200 -179.662 70.2954 29.1044 70.2951 97.8857 153.593 29.1042 153.592 90.3478 GPRESSURE: 1384200 -186.636 -6.29782 -4.80619 77.9783 159.616 174.161 61.8285 151.424 134.435 PRESSAVG: 1384200 50.2169 44.833 26.4764 44.833 -68.4335 21.1478 26.4764 21.1478 13.8168 GPRESSAVG: 1384200 49.3762 47.0419 26.5193 42.841 -69.1452 20.7511 25.7231 20.9107 15.4257 TIMING: 1384200 CPU: 4020.67, 0.00290171/step Wall: 4020.67, 0.00290171/step, 2.91444 hours remaining, 205.207031 MB of memory in use. ENERGY: 1384200 730.4807 2097.6270 1966.8925 120.8155 -205666.6589 17669.6459 0.0000 0.0000 34185.2134 -148895.9838 298.5480 -183081.1972 -148802.3133 299.6596 2.8570 35.8050 557955.0173 -1.4666 -1.4478 LDB: ============= START OF LOAD BALANCING ============== 4024.13 LDB: ============== END OF LOAD BALANCING =============== 4024.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.14 LDB: ============= START OF LOAD BALANCING ============== 4024.42 LDB: Largest compute 4820 load 0.028478 is 24.2% of average load 0.117727 LDB: Average compute 0.001731 is 1.5% of average load 0.117727 LDB: TIME 4024.43 LOAD: AVG 0.117727 MAX 0.17769 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.777 MB LDB: TIME 4024.43 LOAD: AVG 0.117727 MAX 0.17769 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: TIME 4024.43 LOAD: AVG 0.117727 MAX 0.17769 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4024.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.43 PRESSURE: 1384400 166.263 19.248 41.1172 19.2479 -226.076 32.3797 41.118 32.38 -19.5207 GPRESSURE: 1384400 205.828 -38.9297 37.779 57.2143 -158.959 113.332 48.2069 -3.13578 -28.1966 PRESSAVG: 1384400 -4.82013 12.3908 60.0991 12.3908 -56.0821 -18.3739 60.0992 -18.3738 62.5815 GPRESSAVG: 1384400 -5.2441 13.9421 61.9011 11.443 -54.8987 -17.3533 59.4354 -18.9319 62.403 TIMING: 1384400 CPU: 4021.26, 0.00294051/step Wall: 4021.26, 0.00294051/step, 2.95325 hours remaining, 204.746094 MB of memory in use. ENERGY: 1384400 767.5534 2027.1738 1960.6498 106.8976 -205864.1187 17653.5802 0.0000 0.0000 34340.6230 -149007.6409 299.9052 -183348.2639 -148915.1015 300.1873 -26.4444 6.2241 556826.0339 0.5598 0.7534 PRESSURE: 1384600 29.4645 -35.6145 69.6882 -35.6145 -17.6183 62.4726 69.6891 62.4716 93.4441 GPRESSURE: 1384600 107.172 -124.985 12.2403 39.3132 35.3766 101.604 112.72 53.083 47.2349 PRESSAVG: 1384600 84.6444 -0.602665 42.7964 -0.602625 -79.6571 61.8918 42.7964 61.8916 18.8772 GPRESSAVG: 1384600 86.1025 -1.32529 41.8805 -0.00828764 -80.522 61.225 43.5286 62.909 17.8761 TIMING: 1384600 CPU: 4021.84, 0.00289418/step Wall: 4021.84, 0.00289418/step, 2.90656 hours remaining, 204.746094 MB of memory in use. ENERGY: 1384600 740.4448 2071.9293 1953.0013 101.5568 -205634.9863 17622.2369 0.0000 0.0000 34245.6978 -148900.1193 299.0762 -183145.8171 -148803.7212 299.7918 35.0968 63.2611 556947.3279 7.9549 7.8189 PRESSURE: 1384800 -46.7877 216.583 -45.105 216.583 -38.273 110.797 -45.1044 110.798 137.747 GPRESSURE: 1384800 -2.75521 137.47 -82.5544 243.997 -3.10371 126.464 -1.56055 78.2704 151.722 PRESSAVG: 1384800 7.05413 39.3157 11.3641 39.3157 -55.6532 86.8813 11.3641 86.8813 69.5117 GPRESSAVG: 1384800 6.82219 38.4454 10.9232 41.4613 -55.7719 86.9954 11.637 89.2879 69.5238 TIMING: 1384800 CPU: 4022.42, 0.00289557/step Wall: 4022.42, 0.00289557/step, 2.90779 hours remaining, 204.746094 MB of memory in use. ENERGY: 1384800 737.9455 2075.1682 1966.0105 127.8051 -206294.1152 17914.9534 0.0000 0.0000 34624.5147 -148847.7178 302.3845 -183472.2326 -148750.1802 300.6635 17.5621 48.6212 558092.1175 6.9709 6.8580 PRESSURE: 1385000 -342.34 19.952 146.606 19.9514 154.45 2.32256 146.606 2.32158 129.99 GPRESSURE: 1385000 -317.009 -70.1994 126.563 65.5788 178.854 -73.2507 148.622 19.9057 176.155 PRESSAVG: 1385000 -36.001 27.8979 -41.892 27.8978 -46.8606 -8.16182 -41.8919 -8.1619 81.3623 GPRESSAVG: 1385000 -36.4426 28.1194 -43.3837 28.2758 -45.976 -11.1963 -41.7112 -8.28809 81.4905 TIMING: 1385000 CPU: 4023, 0.00290629/step Wall: 4023, 0.00290629/step, 2.91839 hours remaining, 205.128906 MB of memory in use. ENERGY: 1385000 753.6613 2103.4071 1951.2696 121.6274 -206072.6014 17957.2353 0.0000 0.0000 34420.7271 -148764.6737 300.6048 -183185.4008 -148662.3818 300.2803 -19.3002 12.6668 558688.1770 -0.4998 -0.3093 PRESSURE: 1385200 -128.691 -94.8567 -54.7552 -94.8553 56.9835 15.3445 -54.7556 15.3429 -141.104 GPRESSURE: 1385200 -82.2613 -78.0929 -40.2234 -36.1618 79.6423 46.0017 43.6883 -110.161 -108.923 PRESSAVG: 1385200 -35.3661 27.6581 46.5168 27.6581 13.0423 -29.089 46.5169 -29.0889 23.1859 GPRESSAVG: 1385200 -34.7386 27.231 49.9166 27.3432 12.8154 -25.6005 44.8153 -30.5131 23.0454 TIMING: 1385200 CPU: 4023.58, 0.00290996/step Wall: 4023.58, 0.00290996/step, 2.92192 hours remaining, 205.128906 MB of memory in use. ENERGY: 1385200 739.9553 2120.0507 1965.8994 120.4411 -205833.8377 17679.5908 0.0000 0.0000 34385.7810 -148822.1194 300.2996 -183207.9004 -148729.1286 300.2126 -70.9371 -37.1808 558007.6211 0.2873 0.3741 PRESSURE: 1385400 146.105 73.5673 164.279 73.5666 71.7964 17.3167 164.277 17.3157 45.8453 GPRESSURE: 1385400 155.235 -0.0770822 49.4282 128.129 115.211 39.2895 172.163 -75.0931 77.8927 PRESSAVG: 1385400 24.2138 5.45231 -2.9111 5.45238 8.6915 0.132981 -2.91117 0.132981 2.23971 GPRESSAVG: 1385400 23.8617 6.05822 -4.92661 4.86805 10.4146 1.42065 -2.47792 0.793575 0.922855 TIMING: 1385400 CPU: 4024.16, 0.00289161/step Wall: 4024.16, 0.00289161/step, 2.90334 hours remaining, 205.128906 MB of memory in use. ENERGY: 1385400 764.9583 2134.8064 1958.9981 107.6165 -206355.7541 17914.1829 0.0000 0.0000 34481.6912 -148993.5008 301.1372 -183475.1920 -148900.4753 300.0927 87.9154 116.1126 557850.1459 11.7150 11.7331 PRESSURE: 1385600 136.691 -44.908 115.014 -44.9087 -258.641 34.3722 115.015 34.3722 -66.0384 GPRESSURE: 1385600 99.068 -48.562 74.4581 -30.7914 -188.833 4.38751 96.3343 12.3112 -12.05 PRESSAVG: 1385600 4.62033 33.675 -45.6372 33.6751 -35.4978 46.2061 -45.6371 46.206 4.23939 GPRESSAVG: 1385600 4.74428 35.0391 -45.4478 32.2717 -38.0046 42.8026 -44.5425 45.7845 6.39067 TIMING: 1385600 CPU: 4024.74, 0.00289369/step Wall: 4024.74, 0.00289369/step, 2.90526 hours remaining, 205.128906 MB of memory in use. ENERGY: 1385600 750.5331 2058.2525 1956.6305 109.5342 -206456.6684 17870.5798 0.0000 0.0000 34594.3094 -149116.8289 302.1207 -183711.1383 -149028.5541 300.0065 -62.6628 -33.9385 558149.3033 -8.8794 -8.9566 PRESSURE: 1385800 12.5494 44.0046 59.8641 44.0052 179.975 -1.57897 59.865 -1.5775 -155.828 GPRESSURE: 1385800 41.6515 49.0256 84.9928 43.3112 203.805 -24.3471 -0.014525 -7.10061 -115.828 PRESSAVG: 1385800 -24.7715 -2.09392 -31.3927 -2.09381 8.08823 14.5241 -31.3927 14.524 31.496 GPRESSAVG: 1385800 -24.4906 -3.04053 -32.0558 0.810266 8.44792 15.9783 -30.9814 14.6244 31.1222 TIMING: 1385800 CPU: 4025.32, 0.00289993/step Wall: 4025.32, 0.00289993/step, 2.91137 hours remaining, 205.128906 MB of memory in use. ENERGY: 1385800 733.8701 2040.1637 1965.2505 114.0303 -206137.3957 17928.0343 0.0000 0.0000 34407.2245 -148948.8223 300.4868 -183356.0468 -148851.4237 299.5878 12.2321 43.2097 558625.4932 4.9376 5.0265 PRESSURE: 1386000 -119.366 -1.44686 -12.4411 -1.44682 103.256 50.779 -12.4421 50.7789 -158.43 GPRESSURE: 1386000 -106.696 12.7983 -18.4485 -97.877 104.836 93.9739 15.7506 74.9557 -84.1352 PRESSAVG: 1386000 8.43919 -25.0829 -18.3308 -25.0828 -3.28279 49.5991 -18.3309 49.5991 -2.64512 GPRESSAVG: 1386000 8.51389 -25.1438 -17.3273 -27.5114 -3.7417 49.2755 -20.1426 48.9229 -2.27732 TIMING: 1386000 CPU: 4025.9, 0.00290259/step Wall: 4025.9, 0.00290259/step, 2.91388 hours remaining, 205.128906 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: 1386000 744.9967 2118.1822 1975.3656 112.3986 -206073.3630 17895.4224 0.0000 0.0000 34267.5931 -148959.4043 299.2674 -183226.9974 -148858.5978 299.9450 -58.1800 -28.6652 558235.8480 0.8371 0.8316 PRESSURE: 1386200 -213.604 16.1551 10.7669 16.1536 6.88935 50.7273 10.767 50.7258 -87.8931 GPRESSURE: 1386200 -128.352 65.2572 73.882 10.414 -5.61758 91.3683 8.02344 5.75356 -54.3467 PRESSAVG: 1386200 6.74535 -40.2047 -28.3564 -40.2048 1.34942 -5.72099 -28.3565 -5.72107 -20.7118 GPRESSAVG: 1386200 6.34109 -38.8675 -28.022 -40.0598 2.97043 -6.12038 -28.1092 -4.88664 -22.1584 TIMING: 1386200 CPU: 4026.48, 0.00291929/step Wall: 4026.48, 0.00291929/step, 2.93048 hours remaining, 205.128906 MB of memory in use. ENERGY: 1386200 776.6053 2158.4156 1966.6753 117.8382 -205853.6557 17629.6604 0.0000 0.0000 34133.0220 -149071.4388 298.0922 -183204.4609 -148975.7382 299.2203 -98.2024 -62.7722 558093.1450 -4.2057 -4.2823 PRESSURE: 1386400 -387.496 111.821 -8.64391 111.82 -111.466 -150.549 -8.64364 -150.55 -394.015 GPRESSURE: 1386400 -342.778 130.877 -37.2451 154.263 -81.4692 -180.04 24.9846 -105.02 -375.448 PRESSAVG: 1386400 -22.6164 -3.37728 -47.4266 -3.37732 25.1015 -83.3986 -47.4267 -83.3986 28.451 GPRESSAVG: 1386400 -21.5064 -6.31264 -49.7855 -2.27387 23.6075 -83.6071 -46.1268 -82.5956 28.797 TIMING: 1386400 CPU: 4027.06, 0.00288116/step Wall: 4027.06, 0.00288116/step, 2.89204 hours remaining, 205.128906 MB of memory in use. ENERGY: 1386400 748.9404 2100.2381 1931.4478 114.0117 -205441.5794 17230.8176 0.0000 0.0000 34326.9988 -148989.1251 299.7862 -183316.1239 -148889.7541 299.1145 -297.6592 -266.5650 556110.6141 10.3120 10.2994 PRESSURE: 1386600 -57.5658 130.579 1.63765 130.579 -95.4521 18.7063 1.63653 18.7069 -299.667 GPRESSURE: 1386600 -9.9889 156.139 -76.8082 95.5624 -83.5186 -119.045 2.18969 111.834 -264.906 PRESSAVG: 1386600 -16.659 -23.2791 -47.1051 -23.2792 29.3904 -13.9574 -47.105 -13.9574 20.9968 GPRESSAVG: 1386600 -17.3632 -21.2457 -41.9932 -23.91 29.5818 -13.1605 -49.7283 -14.6826 21.5342 TIMING: 1386600 CPU: 4027.63, 0.00286869/step Wall: 4027.63, 0.00286869/step, 2.87937 hours remaining, 205.128906 MB of memory in use. ENERGY: 1386600 745.3570 2038.4607 1936.7614 121.8437 -206389.7408 17831.2169 0.0000 0.0000 34559.3563 -149156.7448 301.8155 -183716.1011 -149063.1873 299.5422 -150.8951 -119.4712 556858.0135 11.2427 11.2509 PRESSURE: 1386800 26.419 4.81294 -28.1376 4.81158 161.431 84.0943 -28.1367 84.0943 -148.126 GPRESSURE: 1386800 -27.7622 36.04 -21.8465 0.794902 207.313 77.6201 -37.6829 -46.2385 -63.8415 PRESSAVG: 1386800 36.9983 -7.83787 -30.7738 -7.83785 57.4696 53.6151 -30.7738 53.6152 -124.559 GPRESSAVG: 1386800 35.3946 -8.0097 -35.0138 -7.63531 59.1175 52.8993 -27.5578 53.6742 -124.636 TIMING: 1386800 CPU: 4028.2, 0.00286706/step Wall: 4028.2, 0.00286706/step, 2.87757 hours remaining, 205.128906 MB of memory in use. ENERGY: 1386800 714.7073 2117.7079 1938.5071 106.2565 -205946.7319 17719.8145 0.0000 0.0000 34214.8036 -149134.9349 298.8064 -183349.7386 -149032.0990 299.6434 13.2415 38.5697 554948.6590 -10.0303 -10.0412 PRESSURE: 1387000 -31.3239 67.9395 -143.926 67.9388 84.0586 141.027 -143.926 141.026 96.8515 GPRESSURE: 1387000 34.2521 34.2299 -174.579 146.141 104.415 55.8862 -167.771 164.669 82.4116 PRESSAVG: 1387000 65.3924 15.7149 -45.0928 15.7148 53.3438 64.4414 -45.0928 64.4414 -40.7138 GPRESSAVG: 1387000 68.0255 15.1826 -44.7206 16.8053 51.1876 63.9056 -46.1819 65.6059 -41.2949 TIMING: 1387000 CPU: 4028.78, 0.00288487/step Wall: 4028.78, 0.00288487/step, 2.89529 hours remaining, 205.128906 MB of memory in use. ENERGY: 1387000 715.3852 2080.3715 1944.0526 115.4884 -206096.6724 17749.9272 0.0000 0.0000 34440.8655 -149050.5820 300.7806 -183491.4475 -148949.7329 300.0436 49.8621 73.6928 556347.4308 26.0075 25.9727 PRESSURE: 1387200 -43.1911 72.4472 -28.949 72.4476 2.10971 -56.0781 -28.9497 -56.0764 -218.998 GPRESSURE: 1387200 -4.67563 -11.6049 -39.7187 117.417 74.6971 -71.9528 -38.6047 -15.8154 -245.459 PRESSAVG: 1387200 -4.84088 49.7521 -75.272 49.7521 33.6382 -9.37919 -75.272 -9.37929 -41.4894 GPRESSAVG: 1387200 -5.89253 48.9128 -75.7393 49.7128 34.5864 -9.18796 -76.2319 -11.1926 -41.2488 TIMING: 1387200 CPU: 4029.36, 0.00288684/step Wall: 4029.36, 0.00288684/step, 2.8971 hours remaining, 205.128906 MB of memory in use. ENERGY: 1387200 747.5803 2128.4801 1965.1809 118.8046 -205901.0587 17699.4282 0.0000 0.0000 34245.8395 -148995.7450 299.0774 -183241.5846 -148900.5308 299.2999 -86.6932 -58.4790 557194.1219 -4.2307 -4.1850 PRESSURE: 1387400 -164.311 91.6851 57.2746 91.6855 -193.075 -68.2356 57.2761 -68.2352 -44.4976 GPRESSURE: 1387400 -70.3169 102.883 59.5049 133.708 -193.109 -44.179 33.6143 -119.767 -36.9767 PRESSAVG: 1387400 13.3924 39.15 -19.7734 39.1499 -5.89841 35.9445 -19.7734 35.9445 42.5083 GPRESSAVG: 1387400 13.5422 42.021 -18.9325 37.7604 -5.99531 38.8313 -18.7206 33.6551 42.2791 TIMING: 1387400 CPU: 4029.94, 0.00288701/step Wall: 4029.94, 0.00288701/step, 2.89712 hours remaining, 205.128906 MB of memory in use. ENERGY: 1387400 750.7042 2079.0024 1952.6963 117.6089 -205572.3307 17496.8686 0.0000 0.0000 34242.8636 -148932.5867 299.0514 -183175.4504 -148836.4073 299.7708 -133.9612 -100.1343 558725.9835 16.6674 16.6087 PRESSURE: 1387600 -113.338 -42.0885 98.4776 -42.0901 -89.0182 161.261 98.4777 161.262 88.2859 GPRESSURE: 1387600 -67.9596 -22.5769 69.98 -99.1881 -70.2803 138.596 205.338 167.561 127.119 PRESSAVG: 1387600 -44.3266 1.9008 25.9697 1.90087 -5.71056 17.3181 25.9696 17.318 9.71683 GPRESSAVG: 1387600 -46.9088 0.18694 25.2308 2.00333 -5.12753 13.4285 25.083 19.9436 11.7514 TIMING: 1387600 CPU: 4030.51, 0.0028854/step Wall: 4030.51, 0.0028854/step, 2.89534 hours remaining, 205.128906 MB of memory in use. ENERGY: 1387600 780.8892 1991.6532 1941.6327 111.7805 -206339.9042 17992.4685 0.0000 0.0000 34506.8843 -149014.5959 301.3572 -183521.4801 -148915.6682 299.4949 -38.0235 -3.7071 556901.0809 -13.4401 -13.4283 PRESSURE: 1387800 -84.5613 5.9342 -23.3379 5.93284 118.037 42.024 -23.3368 42.0253 -111.019 GPRESSURE: 1387800 -49.3672 -47.0152 -20.4238 43.1382 134.898 45.9845 -35.3736 87.4794 -77.6695 PRESSAVG: 1387800 14.2338 26.1099 6.92547 26.1099 -10.7074 9.28897 6.9253 9.28895 20.4373 GPRESSAVG: 1387800 17.0396 24.7616 7.34941 28.8856 -12.0178 10.8779 8.0291 9.52693 18.8475 TIMING: 1387800 CPU: 4031.09, 0.00287756/step Wall: 4031.09, 0.00287756/step, 2.88731 hours remaining, 205.128906 MB of memory in use. ENERGY: 1387800 746.0564 2067.9753 1950.3365 112.3424 -205899.3796 17668.4452 0.0000 0.0000 34507.5884 -148846.6354 301.3634 -183354.2238 -148752.3295 299.4555 -25.8480 2.6206 557060.7904 7.9879 7.9564 PRESSURE: 1388000 6.86824 10.2001 18.0657 10.1983 205.867 -36.9026 18.0657 -36.9015 12.231 GPRESSURE: 1388000 41.2804 -82.8164 51.3895 55.2393 208.062 -49.5926 78.2083 -138.568 80.9786 PRESSAVG: 1388000 7.98564 -15.5856 26.1768 -15.5856 4.67538 28.7965 26.1768 28.7966 -59.7364 GPRESSAVG: 1388000 7.51134 -13.1862 24.8195 -19.7233 4.17269 28.4014 26.153 27.8821 -57.9462 TIMING: 1388000 CPU: 4031.67, 0.00290416/step Wall: 4031.67, 0.00290416/step, 2.91384 hours remaining, 205.128906 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: 1388000 746.5006 2045.5754 1948.0971 104.3523 -206073.4638 17807.8515 0.0000 0.0000 34459.9495 -148961.1373 300.9473 -183421.0868 -148866.9854 300.2343 74.9888 110.1071 556425.9105 -15.6918 -15.4207 PRESSURE: 1388200 -208.897 -48.2774 83.9012 -48.2779 -225.745 -75.5243 83.9011 -75.5248 51.6243 GPRESSURE: 1388200 -102.019 -26.9438 -19.253 -5.89815 -217.687 -121.063 164.403 -31.0314 38.7603 PRESSAVG: 1388200 70.9554 49.832 -33.8631 49.8321 47.0311 -6.39487 -33.8632 -6.39481 -80.8782 GPRESSAVG: 1388200 71.6418 50.7786 -34.9992 51.4978 47.3538 -8.35933 -32.2644 -4.08282 -81.6906 TIMING: 1388200 CPU: 4032.25, 0.00291277/step Wall: 4032.25, 0.00291277/step, 2.92232 hours remaining, 205.128906 MB of memory in use. ENERGY: 1388200 751.8068 2034.6966 1930.8117 134.4562 -205908.8421 17705.6695 0.0000 0.0000 34461.0524 -148890.3487 300.9569 -183351.4011 -148796.6117 300.2483 -127.6725 -93.6488 557481.3775 12.3694 12.4350 LDB: ============= START OF LOAD BALANCING ============== 4035.72 LDB: ============== END OF LOAD BALANCING =============== 4035.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4035.72 LDB: ============= START OF LOAD BALANCING ============== 4036.01 LDB: Largest compute 4820 load 0.029268 is 24.9% of average load 0.117705 LDB: Average compute 0.001728 is 1.5% of average load 0.117705 LDB: TIME 4036.01 LOAD: AVG 0.117705 MAX 0.178771 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 4036.01 LOAD: AVG 0.117705 MAX 0.178771 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: TIME 4036.01 LOAD: AVG 0.117705 MAX 0.178771 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: ============== END OF LOAD BALANCING =============== 4036.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4036.02 PRESSURE: 1388400 -68.9589 0.342726 51.1888 0.343068 -40.3977 96.2092 51.1901 96.2097 -130.363 GPRESSURE: 1388400 -55.5974 23.9934 63.7631 -62.2654 10.6626 105.135 29.4455 120.625 -91.6165 PRESSAVG: 1388400 -38.4792 67.6646 23.2383 67.6646 69.2246 -53.5445 23.2383 -53.5446 -55.9269 GPRESSAVG: 1388400 -39.6146 67.2828 27.061 66.1798 70.3027 -51.5785 20.8726 -55.773 -55.3335 TIMING: 1388400 CPU: 4032.84, 0.00295149/step Wall: 4032.84, 0.00295149/step, 2.961 hours remaining, 205.082031 MB of memory in use. ENERGY: 1388400 748.0724 2068.5256 2006.7804 130.9727 -205827.6948 17667.0157 0.0000 0.0000 34250.1030 -148956.2251 299.1147 -183206.3281 -148854.5411 299.8840 -79.9064 -45.5171 558098.8848 -8.3938 -8.2152 PRESSURE: 1388600 -352.247 -14.2385 96.3158 -14.2383 -22.0229 83.9749 96.3153 83.9747 -35.4578 GPRESSURE: 1388600 -303.525 20.4023 34.162 -16.8776 0.319046 140.189 81.3035 -5.34261 -11.6033 PRESSAVG: 1388600 39.2616 -23.1076 85.6168 -23.1077 -29.1955 1.62848 85.6168 1.62848 7.26291 GPRESSAVG: 1388600 39.5136 -24.0965 85.4719 -22.7181 -29.4631 -0.975 85.4465 3.16535 7.17951 TIMING: 1388600 CPU: 4033.42, 0.00291064/step Wall: 4033.42, 0.00291064/step, 2.91986 hours remaining, 205.542969 MB of memory in use. ENERGY: 1388600 762.2380 2046.4926 1974.7113 121.6605 -206094.4005 17835.7010 0.0000 0.0000 34265.3187 -149088.2784 299.2476 -183353.5971 -148992.9519 299.7725 -136.5759 -104.9363 559035.9602 5.7763 5.7434 PRESSURE: 1388800 -146.138 -9.84496 140.651 -9.84465 -101.545 -46.3845 140.65 -46.384 340.429 GPRESSURE: 1388800 -77.4823 -39.5175 112.372 48.5073 -95.506 49.3344 157.652 -12.2149 363.721 PRESSAVG: 1388800 75.7843 3.48831 38.0865 3.48827 -47.3976 6.24447 38.0865 6.24458 -20.3054 GPRESSAVG: 1388800 75.919 2.32122 36.4141 6.03815 -47.5471 9.60501 40.5911 4.51884 -19.8623 TIMING: 1388800 CPU: 4034.01, 0.00290354/step Wall: 4034.01, 0.00290354/step, 2.91258 hours remaining, 205.542969 MB of memory in use. ENERGY: 1388800 781.8744 2068.6723 1932.2072 112.3791 -206375.0255 17939.7266 0.0000 0.0000 34279.6932 -149260.4727 299.3731 -183540.1659 -149162.0964 299.7138 30.9150 63.5775 557192.4219 2.6938 2.8366 PRESSURE: 1389000 -140.735 -124.646 -21.374 -124.646 -122.684 -179.815 -21.3733 -179.816 -68.4703 GPRESSURE: 1389000 -52.3196 -124.259 -14.0376 -108.59 -114.361 -77.185 2.11289 -227.833 -60.342 PRESSAVG: 1389000 113.927 -35.8996 6.70286 -35.8996 -151.39 13.5804 6.70284 13.5804 27.4392 GPRESSAVG: 1389000 112.698 -35.7046 7.47771 -35.8808 -151.574 11.8599 3.89563 13.58 28.888 TIMING: 1389000 CPU: 4034.58, 0.00289215/step Wall: 4034.58, 0.00289215/step, 2.90099 hours remaining, 205.542969 MB of memory in use. ENERGY: 1389000 789.1097 2069.8970 1954.1141 110.0284 -206319.5285 17664.9587 0.0000 0.0000 34381.7637 -149349.6569 300.2645 -183731.4206 -149250.0955 299.2636 -110.6297 -75.6743 556665.4571 -3.3412 -3.3296 PRESSURE: 1389200 122.725 -12.5858 343.145 -12.5848 57.1099 -54.8392 343.145 -54.8391 -88.0576 GPRESSURE: 1389200 158.887 -45.6694 380.383 -23.6942 124.063 -96.2597 295.849 -28.968 -108.668 PRESSAVG: 1389200 -20.51 -11.9773 46.1864 -11.9773 -19.9514 -40.8228 46.1864 -40.823 34.9424 GPRESSAVG: 1389200 -18.8372 -12.2554 46.0065 -13.6726 -20.0904 -41.2812 47.9173 -40.9708 33.342 TIMING: 1389200 CPU: 4035.16, 0.00290507/step Wall: 4035.16, 0.00290507/step, 2.91379 hours remaining, 205.542969 MB of memory in use. ENERGY: 1389200 739.9806 2090.3256 1950.8397 109.5965 -206149.6689 17875.3377 0.0000 0.0000 34215.2866 -149168.3024 298.8106 -183383.5889 -149065.8406 299.1303 30.5925 58.0939 556667.0948 -1.8397 -1.8619 PRESSURE: 1389400 25.5356 -112.967 116.73 -112.967 -158.202 -43.8299 116.729 -43.8309 65.6403 GPRESSURE: 1389400 56.1338 -72.8032 119.017 -62.6658 -173.896 -42.9829 147.108 27.9721 144.646 PRESSAVG: 1389400 33.1122 -27.5488 41.4364 -27.5488 -30.245 -49.0979 41.4366 -49.0979 22.1744 GPRESSAVG: 1389400 32.8102 -26.3058 43.0543 -28.0679 -30.3394 -49.0851 39.952 -48.7595 22.7098 TIMING: 1389400 CPU: 4035.75, 0.00291491/step Wall: 4035.75, 0.00291491/step, 2.92349 hours remaining, 205.542969 MB of memory in use. ENERGY: 1389400 745.6735 2123.0819 1968.3628 114.6970 -206145.2753 17807.7002 0.0000 0.0000 34231.4699 -149154.2899 298.9519 -183385.7598 -149066.0205 298.8554 -22.3420 8.9614 556004.0173 8.3472 8.3935 PRESSURE: 1389600 131.114 165.375 104.704 165.375 -179.081 46.5488 104.703 46.5489 -121.124 GPRESSURE: 1389600 111.309 154.125 116.56 99.7232 -156.679 17.1369 134.86 52.2156 -6.91732 PRESSAVG: 1389600 39.9182 65.8248 -13.0119 65.8247 -0.563911 36.6226 -13.012 36.6226 -39.0065 GPRESSAVG: 1389600 39.7083 64.3066 -16.5078 64.9014 -0.106806 35.2194 -10.5939 37.1654 -38.5614 TIMING: 1389600 CPU: 4036.33, 0.00290553/step Wall: 4036.33, 0.00290553/step, 2.91393 hours remaining, 205.542969 MB of memory in use. ENERGY: 1389600 747.9120 2124.6990 1930.4135 94.0528 -205990.2285 17786.8370 0.0000 0.0000 34083.9973 -149222.3170 297.6640 -183306.3143 -149127.6117 299.0036 -56.3638 -17.4291 557499.5216 0.1159 0.3467 PRESSURE: 1389800 24.3455 -130.793 -57.078 -130.793 -88.2778 -180.166 -57.0766 -180.166 175.281 GPRESSURE: 1389800 94.5385 -183.068 -8.41597 -45.4668 -79.2181 -193.302 -80.0345 -245.57 176.748 PRESSAVG: 1389800 -23.8148 -17.3328 -6.32671 -17.3327 -26.5325 -5.42877 -6.32663 -5.42873 67.4928 GPRESSAVG: 1389800 -24.7649 -16.0971 -4.36962 -16.6378 -26.4529 -3.73043 -7.32727 -5.09455 67.8331 TIMING: 1389800 CPU: 4036.91, 0.00290474/step Wall: 4036.91, 0.00290474/step, 2.91297 hours remaining, 205.542969 MB of memory in use. ENERGY: 1389800 770.4528 2104.8709 1952.3895 111.5022 -206527.0716 18018.4328 0.0000 0.0000 34412.2831 -149157.1404 300.5310 -183569.4235 -149062.9728 298.8766 37.1162 64.0227 557324.5536 5.7152 5.5384 PRESSURE: 1390000 -117.403 -11.9379 -26.5497 -11.9362 -73.561 41.7551 -26.5497 41.7549 212.289 GPRESSURE: 1390000 2.31192 -46.9784 -122.24 31.2425 -54.3776 11.0043 -6.34648 157.085 163.6 PRESSAVG: 1390000 -12.8279 -40.7796 -22.451 -40.7795 -27.1217 10.9192 -22.451 10.9193 50.6328 GPRESSAVG: 1390000 -12.8089 -38.2676 -22.2504 -42.8615 -27.3319 10.9178 -23.8989 12.0141 50.57 TIMING: 1390000 CPU: 4037.49, 0.00291368/step Wall: 4037.49, 0.00291368/step, 2.92177 hours remaining, 205.542969 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: 1390000 709.0302 2132.4631 1952.9820 120.4649 -206169.4461 17652.4684 0.0000 0.0000 34311.5486 -149290.4889 299.6513 -183602.0374 -149200.2734 299.1612 7.1084 37.1780 557294.5198 3.5611 3.4764 PRESSURE: 1390200 -240.143 43.1499 97.4386 43.1513 1.41051 -47.4994 97.4398 -47.5006 -7.00471 GPRESSURE: 1390200 -226.979 99.6604 123.922 -26.783 35.9534 -64.9796 -50.5204 -16.0495 50.7286 PRESSAVG: 1390200 -47.3951 -3.51398 20.8525 -3.5139 -50.7564 24.2733 20.8525 24.2732 77.8935 GPRESSAVG: 1390200 -47.0464 -5.76617 19.5613 -1.9894 -50.893 25.0701 22.8798 22.9661 77.7114 TIMING: 1390200 CPU: 4038.07, 0.00290913/step Wall: 4038.07, 0.00290913/step, 2.91705 hours remaining, 205.542969 MB of memory in use. ENERGY: 1390200 762.3510 2055.5600 1973.5663 104.9436 -206009.9439 17625.3961 0.0000 0.0000 34351.1056 -149137.0213 299.9967 -183488.1269 -149042.4593 299.5077 -81.9123 -46.7657 556404.3772 -6.7526 -6.7426 PRESSURE: 1390400 -437.341 -206.473 44.2347 -206.474 -134.486 -37.3143 44.2347 -37.3145 6.37465 GPRESSURE: 1390400 -375.743 -231.42 98.4502 -209.823 -89.993 -12.6005 20.2694 -85.4532 -8.99417 PRESSAVG: 1390400 -6.9925 -61.393 8.57296 -61.393 -3.70008 -52.0778 8.57293 -52.0778 -33.131 GPRESSAVG: 1390400 -7.22597 -59.3791 7.48915 -64.6431 -3.05421 -49.4688 8.81595 -53.0499 -33.354 TIMING: 1390400 CPU: 4038.66, 0.00291473/step Wall: 4038.66, 0.00291473/step, 2.9225 hours remaining, 205.777344 MB of memory in use. ENERGY: 1390400 745.6661 2117.7822 1965.5457 109.3531 -206066.4408 17624.7114 0.0000 0.0000 34294.5970 -149208.7854 299.5032 -183503.3824 -149110.5089 298.9157 -188.4841 -158.2435 558679.7749 -14.6079 -14.5447 PRESSURE: 1390600 12.4436 -166.25 -21.6714 -166.25 0.509697 161.374 -21.6705 161.376 195.814 GPRESSURE: 1390600 -2.00456 -140.649 -62.1187 -200.531 109.195 99.2436 -26.3425 201.163 191.917 PRESSAVG: 1390600 -30.4711 -34.8691 12.2987 -34.8691 -34.7607 -53.4988 12.2987 -53.4988 47.4717 GPRESSAVG: 1390600 -28.8274 -36.5298 12.6013 -32.2344 -35.049 -55.0248 12.4031 -53.0497 46.4074 TIMING: 1390600 CPU: 4039.24, 0.00292321/step Wall: 4039.24, 0.00292321/step, 2.93084 hours remaining, 205.777344 MB of memory in use. ENERGY: 1390600 766.0909 2106.3390 1955.5974 127.0163 -206356.0312 17929.8680 0.0000 0.0000 34270.2634 -149200.8562 299.2907 -183471.1196 -149105.1335 299.5123 69.5889 99.7025 557203.0922 -5.9201 -5.8230 PRESSURE: 1390800 -294.904 -39.577 -145.935 -39.5776 -294.923 -142.593 -145.935 -142.592 -237.338 GPRESSURE: 1390800 -247.214 0.455593 -211.411 -76.7285 -245.121 -110.218 -91.8624 -84.1795 -237.611 PRESSAVG: 1390800 -10.3461 -26.6183 -27.5837 -26.6184 -3.10698 -11.0559 -27.5838 -11.056 20.1228 GPRESSAVG: 1390800 -11.8001 -26.9461 -26.6102 -25.9751 -3.07101 -12.2686 -26.7017 -9.69091 21.0135 TIMING: 1390800 CPU: 4039.83, 0.00292539/step Wall: 4039.83, 0.00292539/step, 2.93286 hours remaining, 205.777344 MB of memory in use. ENERGY: 1390800 749.0195 2124.0069 1941.2815 119.2912 -206058.9062 17464.8552 0.0000 0.0000 34384.1985 -149276.2533 300.2858 -183660.4518 -149184.3686 299.2608 -275.7216 -243.3153 558033.4331 2.2232 2.0475 PRESSURE: 1391000 -296.241 -44.5892 -90.2206 -44.59 -98.4076 11.4946 -90.2218 11.4943 -184.756 GPRESSURE: 1391000 -233.339 -0.803972 -115.154 -55.7512 -96.4794 21.4551 -83.8291 28.4958 -145.366 PRESSAVG: 1391000 -2.92115 10.039 -21.1471 10.039 52.8338 2.04445 -21.1469 2.04444 -42.6906 GPRESSAVG: 1391000 -3.32728 8.53725 -21.1205 9.99294 53.1806 3.96754 -22.6344 0.617079 -42.8241 TIMING: 1391000 CPU: 4040.41, 0.0029333/step Wall: 4040.41, 0.0029333/step, 2.94063 hours remaining, 205.777344 MB of memory in use. ENERGY: 1391000 761.2307 2042.7463 1930.1277 108.7995 -205999.5127 17677.7068 0.0000 0.0000 34371.1845 -149107.7172 300.1721 -183478.9018 -149008.2127 300.1993 -193.1350 -158.3946 558500.8813 2.4074 2.3430 PRESSURE: 1391200 -73.5064 -5.06418 -9.67109 -5.06323 -8.39256 143.311 -9.67121 143.31 -104.302 GPRESSURE: 1391200 -114.144 -20.7299 21.9111 -19.8312 100.432 131.52 -26.9939 86.542 -76.1163 PRESSAVG: 1391200 5.18259 -48.8714 -36.9738 -48.8714 -44.069 12.171 -36.9737 12.171 54.3 GPRESSAVG: 1391200 5.86204 -47.3079 -38.0808 -49.9219 -44.0969 9.41667 -36.5976 12.0602 53.4537 TIMING: 1391200 CPU: 4041, 0.00291225/step Wall: 4041, 0.00291225/step, 2.91937 hours remaining, 205.777344 MB of memory in use. ENERGY: 1391200 785.3921 2114.0126 1951.7472 121.2992 -206300.0019 17830.8270 0.0000 0.0000 34376.8019 -149119.9219 300.2212 -183496.7237 -149026.0214 299.5158 -62.0670 -29.9428 557348.3161 5.1379 5.0729 PRESSURE: 1391400 -92.6907 -199.318 -50.7072 -199.318 65.3906 -17.6171 -50.7076 -17.6187 -430.309 GPRESSURE: 1391400 -87.5318 -140.286 -114.811 -239.976 51.6633 88.1494 33.3574 -79.4332 -333.012 PRESSAVG: 1391400 -16.5794 -86.8984 15.9717 -86.8984 3.60038 31.5957 15.9717 31.5956 19.5034 GPRESSAVG: 1391400 -16.3084 -87.5595 17.0814 -85.787 1.97433 34.6727 16.2677 31.668 20.6207 TIMING: 1391400 CPU: 4041.58, 0.00291384/step Wall: 4041.58, 0.00291384/step, 2.9208 hours remaining, 205.777344 MB of memory in use. ENERGY: 1391400 777.7575 2122.1936 1922.7277 117.0110 -205921.4843 17639.7310 0.0000 0.0000 34341.7041 -149000.3595 299.9146 -183342.0636 -148902.5593 299.7458 -152.5363 -122.9602 558660.5429 2.1748 2.0955 PRESSURE: 1391600 138.86 23.789 -87.7839 23.7896 -195.506 66.0503 -87.783 66.0516 -17.6711 GPRESSURE: 1391600 224.858 7.79276 -112.889 -10.4282 -158.427 72.9511 -52.7706 9.30453 -40.7763 PRESSAVG: 1391600 -10.726 -6.66603 23.8437 -6.66605 40.9757 48.9196 23.8437 48.9195 -59.5012 GPRESSAVG: 1391600 -10.3576 -6.67946 25.3733 -5.92384 41.7169 48.3655 22.3411 49.6113 -60.0054 TIMING: 1391600 CPU: 4042.16, 0.00291005/step Wall: 4042.16, 0.00291005/step, 2.91684 hours remaining, 205.777344 MB of memory in use. ENERGY: 1391600 765.9101 2120.5514 1906.9959 118.9900 -206078.5694 17742.3152 0.0000 0.0000 34262.2965 -149161.5101 299.2212 -183423.8067 -149061.4059 299.3166 -24.7726 8.5516 557763.5165 -9.7505 -9.5487 PRESSURE: 1391800 -33.2909 -92.5895 -80.421 -92.5918 153.299 -23.8902 -80.4207 -23.8886 149.116 GPRESSURE: 1391800 34.7026 -89.3859 -78.0238 -45.3274 150.793 -5.52524 -120.042 -59.7074 183.653 PRESSAVG: 1391800 -3.4341 6.61397 -9.07609 6.61392 19.3946 -11.3542 -9.07617 -11.3542 9.0696 GPRESSAVG: 1391800 -4.45788 5.93207 -10.6141 7.93481 18.7773 -9.73492 -10.4295 -14.0942 11.2581 TIMING: 1391800 CPU: 4042.74, 0.00292138/step Wall: 4042.74, 0.00292138/step, 2.92803 hours remaining, 205.777344 MB of memory in use. ENERGY: 1391800 760.8274 2083.4013 1960.8479 100.8170 -206301.7716 17939.4095 0.0000 0.0000 34180.5232 -149275.9453 298.5070 -183456.4686 -149172.4507 299.0623 89.7078 123.0495 556781.5250 8.3434 8.5258 PRESSURE: 1392000 -286.074 -0.712793 140.454 -0.712951 -60.4039 -114.386 140.454 -114.386 -122.469 GPRESSURE: 1392000 -266.21 -11.0484 122.264 -64.7447 10.0176 -117.345 167.763 -61.035 -124.534 PRESSAVG: 1392000 -51.4438 -38.3664 -5.17044 -38.3664 36.9544 9.74327 -5.17045 9.7433 7.65455 GPRESSAVG: 1392000 -51.3581 -37.325 -5.66242 -40.9498 37.5157 7.61387 -0.839834 13.0523 7.08005 TIMING: 1392000 CPU: 4043.33, 0.0029198/step Wall: 4043.33, 0.0029198/step, 2.92629 hours remaining, 205.777344 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: 1392000 754.3772 2110.9960 1982.8050 124.6287 -206206.0709 17631.6280 0.0000 0.0000 34252.6713 -149348.9646 299.1371 -183601.6358 -149246.1962 298.6812 -156.3156 -126.9089 556780.6722 -2.2783 -2.2541 PRESSURE: 1392200 137.324 -64.6099 -72.565 -64.6091 18.0543 38.8363 -72.5654 38.8362 -376.032 GPRESSURE: 1392200 158.679 -50.959 -59.5003 -16.6054 31.37 13.2167 -104.818 -21.7784 -328.378 PRESSAVG: 1392200 -8.44148 18.3459 19.7416 18.3459 -11.3012 7.15798 19.7416 7.15807 30.5932 GPRESSAVG: 1392200 -8.82637 18.7199 19.744 18.6699 -9.13128 8.0115 17.9014 6.46241 29.4617 TIMING: 1392200 CPU: 4043.91, 0.00291423/step Wall: 4043.91, 0.00291423/step, 2.92054 hours remaining, 205.777344 MB of memory in use. ENERGY: 1392200 722.8573 2138.9482 1962.2648 109.3957 -206359.2669 17724.3283 0.0000 0.0000 34341.6053 -149359.8672 299.9138 -183701.4725 -149258.1699 298.9079 -73.5512 -46.1096 557093.7662 3.6168 3.8347 LDB: ============= START OF LOAD BALANCING ============== 4047.38 LDB: ============== END OF LOAD BALANCING =============== 4047.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.38 LDB: ============= START OF LOAD BALANCING ============== 4047.68 LDB: Largest compute 4820 load 0.029452 is 25.0% of average load 0.117614 LDB: Average compute 0.001733 is 1.5% of average load 0.117614 LDB: TIME 4047.68 LOAD: AVG 0.117614 MAX 0.176173 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.41 MB LDB: TIME 4047.68 LOAD: AVG 0.117614 MAX 0.176173 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.41 MB LDB: TIME 4047.68 LOAD: AVG 0.117614 MAX 0.176173 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.41 MB LDB: ============== END OF LOAD BALANCING =============== 4047.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.69 PRESSURE: 1392400 256.11 90.5539 -71.3953 90.5522 329.887 -27.3021 -71.3945 -27.3017 51.7796 GPRESSURE: 1392400 300.379 -5.28939 -114.58 121.434 320.853 -54.9496 31.166 -36.8218 106.334 PRESSAVG: 1392400 105.663 29.9158 -2.75844 29.9158 -59.2078 22.3526 -2.75853 22.3526 -55.7409 GPRESSAVG: 1392400 107.274 31.007 -0.902939 29.2298 -60.7521 20.2675 -4.43759 22.6545 -55.4505 TIMING: 1392400 CPU: 4044.51, 0.00301461/step Wall: 4044.51, 0.00301461/step, 3.02097 hours remaining, 204.718750 MB of memory in use. ENERGY: 1392400 761.5869 2128.7296 1941.4329 121.7014 -206696.1971 18190.0322 0.0000 0.0000 34343.0062 -149209.7079 299.9260 -183552.7141 -149112.3493 299.0317 212.5925 242.5221 556492.9725 -3.0951 -2.9763 PRESSURE: 1392600 122.497 -182.175 -30.9316 -182.175 0.47229 60.5204 -30.9308 60.5221 -160.977 GPRESSURE: 1392600 157.795 -138.553 -35.1209 -151.732 -56.3565 93.2766 -29.5901 93.211 -46.2511 PRESSAVG: 1392600 83.3488 1.50807 -31.6606 1.50794 -11.1849 48.3148 -31.6606 48.3149 -32.5292 GPRESSAVG: 1392600 82.8587 1.51672 -31.999 2.29578 -11.9276 46.321 -29.9674 50.877 -31.7003 TIMING: 1392600 CPU: 4045.1, 0.00290587/step Wall: 4045.1, 0.00290587/step, 2.91184 hours remaining, 204.894531 MB of memory in use. ENERGY: 1392600 739.4054 2163.8344 1943.2251 123.2099 -206264.9417 17773.0651 0.0000 0.0000 34338.4204 -149183.7814 299.8860 -183522.2018 -149085.4290 299.3453 -12.6693 18.3959 555889.1677 13.2116 13.0769 PRESSURE: 1392800 42.8391 202.378 -190.408 202.378 88.0445 58.0522 -190.408 58.0535 -253.717 GPRESSURE: 1392800 89.3712 215.713 -133.281 128.772 104.865 110.028 -230.967 78.8803 -221.849 PRESSAVG: 1392800 29.8469 -5.12592 -63.3705 -5.12598 -22.409 25.9503 -63.3705 25.9503 17.2144 GPRESSAVG: 1392800 29.0177 -5.72229 -65.1542 -7.12927 -21.2872 27.17 -62.9368 24.7301 17.2411 TIMING: 1392800 CPU: 4045.68, 0.00292236/step Wall: 4045.68, 0.00292236/step, 2.92821 hours remaining, 204.894531 MB of memory in use. ENERGY: 1392800 743.0734 2102.4938 1950.3013 106.9321 -206248.8703 17639.5764 0.0000 0.0000 34542.0910 -149164.4024 301.6647 -183706.4934 -149055.8447 299.6926 -40.9443 -9.2042 556278.9963 8.2175 8.3239 PRESSURE: 1393000 -221.922 -17.8467 -22.8633 -17.8457 -25.1949 -131.197 -22.8634 -131.196 30.3036 GPRESSURE: 1393000 -186.172 -46.2099 -3.8062 -35.1229 17.4363 -36.5276 12.6852 -135.304 42.076 PRESSAVG: 1393000 4.76343 26.011 10.2551 26.0111 -82.9683 -17.3187 10.255 -17.3188 31.8734 GPRESSAVG: 1393000 6.8174 26.3454 10.8269 27.2875 -84.7968 -15.9058 10.7526 -18.2623 31.8658 TIMING: 1393000 CPU: 4046.26, 0.00289992/step Wall: 4046.26, 0.00289992/step, 2.90556 hours remaining, 204.953125 MB of memory in use. ENERGY: 1393000 765.9961 2087.4789 1954.9946 124.1122 -206025.7073 17726.6806 0.0000 0.0000 34298.4253 -149068.0195 299.5367 -183366.4448 -148972.0381 299.3468 -72.2711 -42.2198 556857.4421 -15.4438 -15.3712 PRESSURE: 1393200 -153.675 56.3132 -56.482 56.3129 -136.35 145.341 -56.4821 145.34 -59.068 GPRESSURE: 1393200 -92.709 73.9794 -86.614 93.1495 -78.6725 45.6735 33.8039 164.55 -77.5881 PRESSAVG: 1393200 -0.391524 -10.9888 -28.1452 -10.9889 15.2707 9.82401 -28.1452 9.82417 41.8463 GPRESSAVG: 1393200 -0.521017 -10.7492 -27.551 -9.57788 15.9648 10.459 -29.4496 10.1239 41.3274 TIMING: 1393200 CPU: 4046.84, 0.00289267/step Wall: 4046.84, 0.00289267/step, 2.89813 hours remaining, 204.953125 MB of memory in use. ENERGY: 1393200 754.6861 2103.1020 1970.2012 113.0132 -205780.0441 17530.3257 0.0000 0.0000 34370.3975 -148938.3185 300.1652 -183308.7160 -148836.5464 300.4373 -116.3644 -82.9899 557423.3171 18.9085 18.9237 PRESSURE: 1393400 -80.3257 30.4541 -85.9326 30.4529 -71.1892 38.4636 -85.9322 38.4636 20.8602 GPRESSURE: 1393400 -64.7879 63.3746 -198.788 17.548 -66.1843 11.8739 -94.2958 5.36961 99.6362 PRESSAVG: 1393400 -63.7843 -6.57441 -25.4961 -6.57446 59.339 0.974117 -25.4961 0.974113 -11.2803 GPRESSAVG: 1393400 -65.1624 -8.55276 -26.6777 -4.34418 60.0916 0.436009 -24.5613 0.517247 -10.5159 TIMING: 1393400 CPU: 4047.42, 0.00289264/step Wall: 4047.42, 0.00289264/step, 2.89794 hours remaining, 204.953125 MB of memory in use. ENERGY: 1393400 741.0191 2156.1587 1978.9510 125.5780 -205953.1059 17652.6130 0.0000 0.0000 34249.8652 -149048.9210 299.1126 -183298.7862 -148956.3135 299.7979 -43.5516 -10.4453 557109.6722 -5.2419 -5.1955 PRESSURE: 1393600 101.266 105.208 83.5983 105.206 -123.99 -107.055 83.599 -107.056 32.0299 GPRESSURE: 1393600 140.015 96.2077 82.7466 156.398 -123.371 -38.038 36.9256 -134.784 77.4098 PRESSAVG: 1393600 -18.2566 20.3372 -2.3766 20.3372 46.3584 -15.7405 -2.37659 -15.7404 7.7952 GPRESSAVG: 1393600 -18.0115 19.7087 -2.58321 16.6003 45.9078 -16.1868 -1.95781 -16.409 7.8043 TIMING: 1393600 CPU: 4048, 0.00289055/step Wall: 4048, 0.00289055/step, 2.89569 hours remaining, 204.953125 MB of memory in use. ENERGY: 1393600 739.1622 2135.1486 1983.4325 113.8094 -205883.0394 17537.4889 0.0000 0.0000 34225.7991 -149148.1986 298.9024 -183373.9977 -149045.1148 299.3645 3.1021 31.3512 555641.9986 11.9657 11.9002 PRESSURE: 1393800 117.1 -50.1136 107.822 -50.113 170.964 113.707 107.822 113.707 72.9388 GPRESSURE: 1393800 123.259 -77.6282 96.092 -57.6844 201.386 71.281 63.2332 140.02 125.175 PRESSAVG: 1393800 -24.2574 46.119 26.9883 46.119 -38.8673 -13.9639 26.9883 -13.9638 71.7929 GPRESSAVG: 1393800 -23.9153 48.9644 28.9042 46.1416 -38.5757 -14.0391 25.5296 -13.5965 70.8771 TIMING: 1393800 CPU: 4048.57, 0.00288536/step Wall: 4048.57, 0.00288536/step, 2.89033 hours remaining, 204.953125 MB of memory in use. ENERGY: 1393800 734.8910 2101.1652 1979.6887 110.8404 -206644.6971 18009.7409 0.0000 0.0000 34406.1601 -149302.2107 300.4776 -183708.3709 -149202.7344 299.1932 120.3340 149.9400 555818.0939 2.8894 2.7954 PRESSURE: 1394000 46.7242 123.002 43.2763 122.999 -33.6142 61.3815 43.2761 61.3815 -92.9519 GPRESSURE: 1394000 113.233 119.661 125.442 102.278 -23.8898 105.837 55.9413 -7.18358 -69.7946 PRESSAVG: 1394000 -14.8717 9.44725 13.5491 9.44721 -5.90922 2.33997 13.5491 2.33995 3.07795 GPRESSAVG: 1394000 -14.7666 8.82507 14.4378 11.3053 -6.80674 1.33125 13.8293 1.24083 3.95104 TIMING: 1394000 CPU: 4049.15, 0.00289463/step Wall: 4049.15, 0.00289463/step, 2.89945 hours remaining, 205.156250 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: 1394000 747.2350 2087.0141 1973.2024 121.8476 -206072.9588 17609.7942 0.0000 0.0000 34067.0534 -149466.8121 297.5161 -183533.8655 -149367.5883 298.5548 -26.6140 6.5163 556376.9370 -5.9010 -5.8741 PRESSURE: 1394200 -217.995 -135.546 -162.463 -135.545 -435.882 -121.251 -162.464 -121.251 -220.471 GPRESSURE: 1394200 -200.685 -113.759 -143.739 -46.3266 -416.342 -19.8432 -200.37 -124.544 -168.235 PRESSAVG: 1394200 36.1319 -46.4723 -22.8223 -46.4723 -80.0549 -0.416166 -22.8223 -0.41626 37.2602 GPRESSAVG: 1394200 35.5056 -46.1166 -22.7322 -47.7285 -79.9663 1.71972 -21.7345 0.257535 37.866 TIMING: 1394200 CPU: 4049.73, 0.0028843/step Wall: 4049.73, 0.0028843/step, 2.88895 hours remaining, 205.156250 MB of memory in use. ENERGY: 1394200 779.7559 2142.4559 1965.1606 127.4690 -206106.1044 17463.3080 0.0000 0.0000 34233.1982 -149394.7569 298.9670 -183627.9551 -149300.2166 298.4616 -291.4495 -261.7539 557213.0943 -2.2209 -2.1982 PRESSURE: 1394400 -340.252 26.6335 51.4539 26.635 -373.02 -87.7789 51.4526 -87.7798 -321.219 GPRESSURE: 1394400 -306.396 68.1031 89.4344 -54.1669 -342.816 -93.2652 -23.2252 -125.067 -279.305 PRESSAVG: 1394400 23.052 -9.4518 -59.7816 -9.45176 -3.94072 -37.3505 -59.7817 -37.3505 4.66919 GPRESSAVG: 1394400 22.7984 -11.2256 -61.4418 -9.71999 -3.00585 -37.174 -60.4684 -36.9507 4.13888 TIMING: 1394400 CPU: 4050.31, 0.00290133/step Wall: 4050.31, 0.00290133/step, 2.90584 hours remaining, 205.156250 MB of memory in use. ENERGY: 1394400 750.5014 2075.9049 1983.4166 118.1048 -205672.6236 17280.7671 0.0000 0.0000 34078.1920 -149385.7367 297.6133 -183463.9288 -149294.2269 298.5305 -344.8304 -309.5058 558890.7985 7.9268 7.9771 PRESSURE: 1394600 -67.9427 21.1119 -131.779 21.1107 86.4616 -113.709 -131.779 -113.708 -24.0424 GPRESSURE: 1394600 -29.1294 104.269 -66.5569 28.2919 110.347 -120.126 -125.006 -51.7644 -8.85356 PRESSAVG: 1394600 70.7339 52.2639 -24.4 52.264 -76.2626 -13.6907 -24.4001 -13.6907 3.02917 GPRESSAVG: 1394600 72.3941 53.4063 -24.0915 53.1884 -76.5918 -15.048 -23.5577 -14.0874 2.14412 TIMING: 1394600 CPU: 4050.89, 0.00290561/step Wall: 4050.89, 0.00290561/step, 2.90997 hours remaining, 205.156250 MB of memory in use. ENERGY: 1394600 775.5828 2133.1685 1950.3460 127.7044 -206398.2820 17892.3205 0.0000 0.0000 34243.9937 -149275.1662 299.0613 -183519.1599 -149184.5272 299.0569 -1.8412 24.1212 557638.1200 -0.8332 -0.6846 PRESSURE: 1394800 55.7855 -42.0697 -212.417 -42.0695 -68.1162 -34.3133 -212.417 -34.3129 -137.033 GPRESSURE: 1394800 94.2432 -76.6782 -207.285 21.5815 -38.7369 -30.3627 -147.954 48.6503 -107.134 PRESSAVG: 1394800 33.3318 8.63124 -38.6732 8.63121 25.5579 12.8315 -38.6731 12.8314 -18.3685 GPRESSAVG: 1394800 32.6628 6.49349 -39.3455 8.55583 25.4691 11.1153 -38.1594 14.719 -18.1634 TIMING: 1394800 CPU: 4051.48, 0.00293096/step Wall: 4051.48, 0.00293096/step, 2.93519 hours remaining, 205.156250 MB of memory in use. ENERGY: 1394800 760.7770 2173.3162 1946.7663 129.7648 -206365.8151 17968.0093 0.0000 0.0000 34271.5589 -149115.6227 299.3020 -183387.1816 -149025.7045 299.7896 -49.7878 -17.2092 557113.0289 13.5070 13.3228 PRESSURE: 1395000 -145.068 38.7299 77.1938 38.73 -79.1848 127.791 77.1936 127.79 -77.8489 GPRESSURE: 1395000 -154.643 -9.76781 64.2945 -38.6359 5.08909 87.5029 172.869 114.55 -52.1764 PRESSAVG: 1395000 42.1782 -22.599 -6.54864 -22.5989 6.83961 30.8304 -6.54868 30.8304 -55.6993 GPRESSAVG: 1395000 42.786 -20.514 -6.3203 -23.1022 6.10214 32.3172 -6.39969 30.6421 -54.9501 TIMING: 1395000 CPU: 4052.06, 0.00292108/step Wall: 4052.06, 0.00292108/step, 2.92513 hours remaining, 205.156250 MB of memory in use. ENERGY: 1395000 767.9243 2105.7307 1967.4908 127.5612 -205846.9371 17641.0912 0.0000 0.0000 34218.4929 -149018.6459 298.8386 -183237.1388 -148923.9351 299.1879 -100.7005 -67.2436 559703.7750 -2.2272 -2.0206 PRESSURE: 1395200 -141.93 68.2486 147.047 68.2484 -456.275 3.03518 147.048 3.03401 -285.066 GPRESSURE: 1395200 -176.424 79.6289 134.409 127.99 -397.989 6.19409 212.986 92.7432 -215.856 PRESSAVG: 1395200 14.2307 -11.2317 33.3826 -11.2317 -73.4516 60.3925 33.3826 60.3924 35.3825 GPRESSAVG: 1395200 12.079 -10.7548 33.1067 -13.6099 -71.9409 60.7073 33.0298 59.5557 36.1041 TIMING: 1395200 CPU: 4052.64, 0.0029229/step Wall: 4052.64, 0.0029229/step, 2.9268 hours remaining, 205.156250 MB of memory in use. ENERGY: 1395200 752.1572 2093.6081 1989.8844 118.5111 -205636.1942 17474.7107 0.0000 0.0000 34246.3978 -148960.9249 299.0823 -183207.3227 -148870.4743 299.5074 -294.4239 -263.4230 560477.1794 -7.9461 -7.9193 PRESSURE: 1395400 -198.857 84.3152 -101.114 84.3155 -122.872 172.209 -101.113 172.209 -286.537 GPRESSURE: 1395400 -159.257 75.7484 -31.1458 50.1763 -53.656 148.7 -104.333 197.084 -297.867 PRESSAVG: 1395400 -78.4396 50.9018 -31.9696 50.9017 45.7766 42.2168 -31.9697 42.2168 27.6518 GPRESSAVG: 1395400 -77.3125 49.4672 -30.6509 52.434 46.2592 43.4115 -33.0466 41.9286 26.4704 TIMING: 1395400 CPU: 4053.22, 0.00289145/step Wall: 4053.22, 0.00289145/step, 2.89514 hours remaining, 205.156250 MB of memory in use. ENERGY: 1395400 762.2432 2078.6100 1962.3855 122.0878 -205619.8307 17558.5848 0.0000 0.0000 34261.2090 -148874.7104 299.2117 -183135.9194 -148770.4681 300.0424 -202.7550 -170.2600 560192.4310 -1.6704 -1.5276 PRESSURE: 1395600 -238.292 13.4066 -183.285 13.407 -251.629 77.8264 -183.285 77.8254 -349.14 GPRESSURE: 1395600 -139.875 -27.4021 -160.08 57.6075 -304.863 45.8098 -200.423 12.3027 -302.098 PRESSAVG: 1395600 -74.494 53.017 -52.0233 53.017 29.1732 88.2628 -52.0232 88.2629 27.4612 GPRESSAVG: 1395600 -74.3721 52.8585 -51.8113 54.3275 28.0873 85.75 -51.5734 88.7136 28.3761 TIMING: 1395600 CPU: 4053.8, 0.00289515/step Wall: 4053.8, 0.00289515/step, 2.89869 hours remaining, 205.156250 MB of memory in use. ENERGY: 1395600 775.4771 2097.8355 1950.9977 112.9566 -205495.8686 17338.0564 0.0000 0.0000 34397.2719 -148823.2733 300.3999 -183220.5452 -148732.6184 299.9684 -279.6871 -248.9452 560109.9330 -5.9532 -5.9695 PRESSURE: 1395800 -156.873 -80.3063 34.7186 -80.3065 -73.1226 208.017 34.7195 208.016 268.956 GPRESSURE: 1395800 -145.787 -6.20458 23.2171 -83.9887 -43.893 234.274 50.5857 249.88 312.037 PRESSAVG: 1395800 -34.0894 -24.1917 -45.6417 -24.1917 2.09217 27.9385 -45.6417 27.9385 83.3853 GPRESSAVG: 1395800 -32.4991 -21.1933 -46.1565 -26.6907 1.34771 29.3239 -47.2305 27.5363 82.3453 TIMING: 1395800 CPU: 4054.38, 0.0028928/step Wall: 4054.38, 0.0028928/step, 2.89617 hours remaining, 205.156250 MB of memory in use. ENERGY: 1395800 727.5492 2061.6289 1971.5360 112.7608 -205852.0214 17791.2794 0.0000 0.0000 34585.8469 -148601.4203 302.0468 -183187.2672 -148504.5170 300.0086 12.9867 40.7856 558143.5800 17.1293 17.0646 PRESSURE: 1396000 -218.567 35.969 -9.93508 35.9687 -28.4647 147.701 -9.93491 147.703 86.5279 GPRESSURE: 1396000 -171.015 120.879 -34.5932 -75.4358 12.9695 146.728 9.18798 132.955 102.463 PRESSAVG: 1396000 -12.1708 4.27818 -6.89743 4.27815 -71.0972 -37.9687 -6.89746 -37.9687 85.9064 GPRESSAVG: 1396000 -13.889 0.448356 -7.67637 6.13096 -71.2921 -37.2882 -4.28333 -37.6975 87.9635 TIMING: 1396000 CPU: 4054.96, 0.00288787/step Wall: 4054.96, 0.00288787/step, 2.89108 hours remaining, 205.156250 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: 1396000 713.5611 2130.1797 2010.3192 113.6317 -205599.5014 17555.0266 0.0000 0.0000 34440.2051 -148636.5780 300.7749 -183076.7831 -148537.6950 300.9172 -53.5013 -18.5274 558181.4825 0.8795 0.9275 PRESSURE: 1396200 -53.6921 7.88603 -93.195 7.88642 143.292 42.6981 -93.1968 42.6987 -13.3503 GPRESSURE: 1396200 19.6231 -35.089 5.08261 -25.1587 81.7918 0.0780297 -147.109 -25.7093 65.6001 PRESSAVG: 1396200 -12.0469 33.9897 -51.9131 33.9896 -22.3227 26.723 -51.913 26.7229 85.5652 GPRESSAVG: 1396200 -10.8625 34.7257 -51.7627 32.6942 -22.2748 26.7367 -53.9468 26.1402 84.2808 TIMING: 1396200 CPU: 4055.54, 0.00289653/step Wall: 4055.54, 0.00289653/step, 2.89959 hours remaining, 205.156250 MB of memory in use. ENERGY: 1396200 738.4470 2088.2120 1981.4175 108.0183 -205600.7353 17780.2162 0.0000 0.0000 34131.5086 -148772.9157 298.0790 -182904.4243 -148673.6347 300.4402 25.4167 55.6717 558377.3799 17.0652 17.0478 LDB: ============= START OF LOAD BALANCING ============== 4059 LDB: ============== END OF LOAD BALANCING =============== 4059 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059 LDB: ============= START OF LOAD BALANCING ============== 4059.29 LDB: Largest compute 4820 load 0.029553 is 25.1% of average load 0.117573 LDB: Average compute 0.001741 is 1.5% of average load 0.117573 LDB: TIME 4059.29 LOAD: AVG 0.117573 MAX 0.177105 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.898 MB LDB: TIME 4059.29 LOAD: AVG 0.117573 MAX 0.177105 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.93 MB LDB: TIME 4059.29 LOAD: AVG 0.117573 MAX 0.177105 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.93 MB LDB: ============== END OF LOAD BALANCING =============== 4059.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.3 PRESSURE: 1396400 -58.6673 -25.4537 -29.2973 -25.4533 -255.684 24.3888 -29.2965 24.3887 -66.1263 GPRESSURE: 1396400 -33.5951 -30.4619 -23.3055 5.3868 -217.299 13.1644 0.921671 -54.5237 -45.2144 PRESSAVG: 1396400 -25.8474 34.2242 12.795 34.2243 31.5387 -2.35912 12.7951 -2.35909 9.71657 GPRESSAVG: 1396400 -26.1201 34.6091 12.0958 33.6677 31.4365 -1.31573 12.7816 -2.68153 9.36778 TIMING: 1396400 CPU: 4056.12, 0.00293485/step Wall: 4056.12, 0.00293485/step, 2.93778 hours remaining, 206.171875 MB of memory in use. ENERGY: 1396400 746.9674 2098.0720 1940.4793 127.1461 -205741.4012 17705.8523 0.0000 0.0000 34364.3946 -148758.4895 300.1128 -183122.8842 -148664.0513 299.9372 -126.8260 -98.7029 557381.3628 5.1359 4.8947 PRESSURE: 1396600 62.6114 -114.79 88.6971 -114.79 137.441 12.107 88.699 12.1059 -31.9202 GPRESSURE: 1396600 107.342 -88.5869 31.181 -135.479 157.303 97.6825 37.209 -33.0747 5.85571 PRESSAVG: 1396600 30.8344 -19.3262 -26.9621 -19.3261 -33.2487 -13.483 -26.962 -13.483 3.45809 GPRESSAVG: 1396600 29.9307 -17.5994 -25.1943 -19.1473 -33.3308 -13.5145 -24.8494 -13.7896 4.20302 TIMING: 1396600 CPU: 4056.7, 0.00288003/step Wall: 4056.7, 0.00288003/step, 2.88275 hours remaining, 206.242188 MB of memory in use. ENERGY: 1396600 759.1331 2088.0407 1978.3735 107.2787 -205818.9386 17769.7993 0.0000 0.0000 34438.6655 -148677.6480 300.7614 -183116.3135 -148579.4723 300.3460 56.0439 90.1668 556864.7689 0.3479 0.2676 PRESSURE: 1396800 120.455 -31.68 -14.9041 -31.6791 -195.38 -67.7465 -14.9041 -67.7446 -151.449 GPRESSURE: 1396800 100.18 -34.2729 6.81205 1.95448 -111.996 25.514 -11.5824 -78.4394 -103.878 PRESSAVG: 1396800 -24.1968 -34.4506 27.8679 -34.4506 17.225 44.6638 27.8679 44.6638 2.66206 GPRESSAVG: 1396800 -23.7439 -35.6643 26.1125 -35.1028 18.1149 44.9533 28.753 45.0873 1.34504 TIMING: 1396800 CPU: 4057.28, 0.00287649/step Wall: 4057.28, 0.00287649/step, 2.87905 hours remaining, 206.242188 MB of memory in use. ENERGY: 1396800 731.8079 2109.8344 1967.8331 125.2189 -205657.1063 17625.9084 0.0000 0.0000 34428.8070 -148667.6965 300.6753 -183096.5035 -148569.7002 300.1886 -75.4578 -38.5646 559692.5740 -1.4366 -1.4280 PRESSURE: 1397000 -168.531 -24.542 219.409 -24.5423 -51.2032 2.34376 219.41 2.34202 -89.3056 GPRESSURE: 1397000 -129.659 25.5265 195.452 -25.3771 -25.1463 12.086 210.505 12.751 -49.5939 PRESSAVG: 1397000 66.2847 -19.3448 7.31028 -19.3448 14.9071 19.3584 7.3103 19.3583 -23.092 GPRESSAVG: 1397000 66.0296 -20.2402 7.45185 -17.2535 14.7754 17.9053 6.1344 19.3826 -22.4253 TIMING: 1397000 CPU: 4057.85, 0.00286382/step Wall: 4057.85, 0.00286382/step, 2.8662 hours remaining, 206.429688 MB of memory in use. ENERGY: 1397000 770.7871 2102.3312 1923.8082 104.9558 -205328.1943 17605.9465 0.0000 0.0000 34236.7489 -148583.6166 298.9980 -182820.3655 -148482.3464 300.7579 -103.0134 -68.1329 559536.0064 19.3666 19.4599 PRESSURE: 1397200 -130.247 -55.8236 37.0475 -55.8241 195.863 116.263 37.0474 116.263 19.6822 GPRESSURE: 1397200 -81.9637 11.7582 22.9546 -172.005 154.897 156.144 -2.27664 134.97 98.4956 PRESSAVG: 1397200 16.6774 -14.7557 17.723 -14.7557 -39.045 -7.24621 17.723 -7.24629 10.1241 GPRESSAVG: 1397200 16.4179 -15.3568 19.0275 -15.7238 -39.4546 -8.1402 16.3956 -5.81476 10.9408 TIMING: 1397200 CPU: 4058.42, 0.00286143/step Wall: 4058.42, 0.00286143/step, 2.86365 hours remaining, 206.429688 MB of memory in use. ENERGY: 1397200 800.6582 2134.9256 1991.3335 122.0076 -205985.0667 17885.2184 0.0000 0.0000 34585.3362 -148465.5872 302.0423 -183050.9234 -148369.3184 301.4092 28.4326 57.1429 557256.0581 -4.0812 -4.0320 PRESSURE: 1397400 50.7668 65.7009 142.323 65.7019 172.242 34.0727 142.323 34.0745 94.3828 GPRESSURE: 1397400 105.253 -32.7359 86.7804 181.559 238.734 55.7142 174.461 100.786 65.5057 PRESSAVG: 1397400 76.466 -11.9928 32.2129 -11.9927 8.35537 -21.1344 32.2129 -21.1344 -78.4197 GPRESSAVG: 1397400 75.9274 -9.50834 32.4844 -8.78529 8.62147 -20.9204 33.3839 -21.0145 -79.0406 TIMING: 1397400 CPU: 4058.99, 0.00287108/step Wall: 4058.99, 0.00287108/step, 2.87316 hours remaining, 206.429688 MB of memory in use. ENERGY: 1397400 715.4449 2149.2023 1980.4418 126.4345 -205639.4439 17796.8838 0.0000 0.0000 34310.0576 -148560.9791 299.6383 -182871.0366 -148469.6278 301.0357 105.7971 136.4974 558024.9111 2.1339 1.8361 PRESSURE: 1397600 111.83 33.2916 107.525 33.2924 100.506 -141.293 107.524 -141.294 -50.8164 GPRESSURE: 1397600 131.887 20.7936 192.551 22.468 146.534 -41.3934 96.4063 -128.855 -26.7994 PRESSAVG: 1397600 67.6552 -12.8186 95.8004 -12.8186 7.65774 41.64 95.8003 41.6401 -64.71 GPRESSAVG: 1397600 68.0025 -13.2219 96.9176 -15.6573 7.9526 40.3737 95.2596 41.9483 -65.7157 TIMING: 1397600 CPU: 4059.57, 0.00286007/step Wall: 4059.57, 0.00286007/step, 2.86197 hours remaining, 206.429688 MB of memory in use. ENERGY: 1397600 734.5139 2126.2547 1980.0766 106.1472 -205910.6567 17785.6703 0.0000 0.0000 34685.3084 -148492.6856 302.9154 -183177.9941 -148385.1849 301.5331 53.8398 83.8739 558225.4115 3.5343 3.4131 PRESSURE: 1397800 -73.3512 -9.86862 -164.677 -9.86868 -109.55 -51.7448 -164.678 -51.7455 -50.2244 GPRESSURE: 1397800 -28.2932 109.163 -123.427 -33.6321 -118.665 -117.625 -207.75 3.72289 11.043 PRESSAVG: 1397800 28.641 -43.2429 19.3656 -43.2429 41.2756 38.3823 19.3656 38.3822 -62.4015 GPRESSAVG: 1397800 28.0977 -44.6143 18.3443 -41.8545 40.7902 39.2822 19.9107 35.0974 -61.1237 TIMING: 1397800 CPU: 4060.15, 0.00289514/step Wall: 4060.15, 0.00289514/step, 2.8969 hours remaining, 206.429688 MB of memory in use. ENERGY: 1397800 754.6267 2111.0009 1942.9048 119.7595 -206098.2446 17917.5956 0.0000 0.0000 34637.4388 -148614.9182 302.4974 -183252.3570 -148513.3268 301.5203 -77.7085 -45.3050 557805.0890 2.5051 2.5881 PRESSURE: 1398000 121.761 -195.928 43.873 -195.927 434.524 -22.9129 43.8725 -22.9126 216.647 GPRESSURE: 1398000 122.168 -182.065 -26.8981 -116.455 486.875 -5.58593 92.629 -54.9831 249.96 PRESSAVG: 1398000 -33.2347 -42.0195 -33.347 -42.0194 47.3721 -24.6916 -33.347 -24.6916 10.5843 GPRESSAVG: 1398000 -32.1612 -42.1591 -32.3819 -41.3244 47.422 -25.0534 -35.2022 -22.8004 9.46583 TIMING: 1398000 CPU: 4060.73, 0.00289677/step Wall: 4060.73, 0.00289677/step, 2.89838 hours remaining, 206.429688 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: 1398000 769.1434 2076.6472 1952.0807 107.1587 -205954.8414 17961.5633 0.0000 0.0000 34507.7967 -148580.4514 301.3652 -183088.2480 -148491.7456 300.9633 257.6439 286.3343 555896.8336 8.2405 8.2422 PRESSURE: 1398200 10.7321 149.611 121.839 149.611 242.917 62.0261 121.84 62.0242 159.612 GPRESSURE: 1398200 61.1609 69.6941 82.4714 141.925 277.679 35.0298 130.67 51.8702 167.816 PRESSAVG: 1398200 33.7281 -58.8854 -8.70822 -58.8855 -35.1923 -8.7226 -8.70818 -8.72259 -6.6155 GPRESSAVG: 1398200 34.9969 -58.8898 -12.0416 -60.5832 -35.5041 -6.84344 -6.59722 -9.36689 -7.45429 TIMING: 1398200 CPU: 4061.31, 0.00291456/step Wall: 4061.31, 0.00291456/step, 2.91602 hours remaining, 206.570312 MB of memory in use. ENERGY: 1398200 714.5944 2083.1711 1955.3252 105.7570 -205336.2687 17772.6167 0.0000 0.0000 34259.8686 -148444.9356 299.2000 -182704.8043 -148347.3705 300.8540 137.7536 168.8851 558311.2152 -2.6932 -2.6538 PRESSURE: 1398400 132.96 13.0123 98.4926 13.0134 -182.639 -29.3172 98.4931 -29.3165 -108.364 GPRESSURE: 1398400 193.751 18.5812 171.631 -45.4305 -167.462 26.2581 16.2041 -109.012 -84.6491 PRESSAVG: 1398400 52.0442 12.6122 6.5968 12.6122 -33.136 36.894 6.59671 36.8941 1.43193 GPRESSAVG: 1398400 49.9465 13.8909 8.68355 12.3708 -32.7686 36.2884 6.9476 37.8667 2.72504 TIMING: 1398400 CPU: 4061.89, 0.00290125/step Wall: 4061.89, 0.00290125/step, 2.90254 hours remaining, 206.570312 MB of memory in use. ENERGY: 1398400 718.1499 2086.8893 1980.6168 102.5448 -205671.5320 17699.2561 0.0000 0.0000 34566.7009 -148517.3743 301.8796 -183084.0752 -148418.1722 301.5914 -52.6811 -19.4531 557875.4572 6.7800 6.6343 PRESSURE: 1398600 -365.199 138.277 183.482 138.277 -313.361 40.0959 183.483 40.0962 -152.981 GPRESSURE: 1398600 -398.414 184.38 110.36 175.066 -192.121 40.506 268.759 31.6053 -140.241 PRESSAVG: 1398600 -35.3485 66.9329 -49.0347 66.9328 -2.35935 8.44495 -49.0347 8.44503 52.0594 GPRESSAVG: 1398600 -34.8408 64.808 -51.207 69.5399 -3.6388 7.30012 -48.6818 9.73695 52.9423 TIMING: 1398600 CPU: 4062.47, 0.0029029/step Wall: 4062.47, 0.0029029/step, 2.90403 hours remaining, 206.570312 MB of memory in use. ENERGY: 1398600 773.8376 2082.6185 1994.2479 115.2908 -205266.2914 17412.4974 0.0000 0.0000 34350.5867 -148537.2124 299.9922 -182887.7991 -148445.8066 301.1251 -277.1801 -243.5922 558436.1222 4.7839 4.8209 PRESSURE: 1398800 170.521 37.2737 -77.6963 37.2737 -80.9943 21.4673 -77.697 21.4678 147.195 GPRESSURE: 1398800 236.25 68.23 -128.665 -6.82961 -45.1277 63.1212 -63.3328 -20.6519 146.989 PRESSAVG: 1398800 30.8866 19.7837 -9.5677 19.7838 -35.5703 50.4962 -9.56763 50.4962 22.1485 GPRESSAVG: 1398800 31.5436 22.3889 -9.38969 16.5356 -34.4846 51.8629 -8.09642 46.761 20.1861 TIMING: 1398800 CPU: 4063.05, 0.00289475/step Wall: 4063.05, 0.00289475/step, 2.89572 hours remaining, 206.632812 MB of memory in use. ENERGY: 1398800 763.2547 2091.5772 1948.7589 105.8990 -205774.5238 17831.2108 0.0000 0.0000 34453.1327 -148580.6905 300.8878 -183033.8232 -148488.7012 300.3773 78.9071 112.7040 558217.5531 5.8216 5.7484 PRESSURE: 1399000 -148.027 -54.1821 -48.3599 -54.1824 98.2921 33.9911 -48.36 33.9921 97.7882 GPRESSURE: 1399000 -93.8626 26.6947 -18.6887 -56.2072 118.537 -0.0401748 -10.4062 27.8836 118.447 PRESSAVG: 1399000 -11.7819 -32.1355 6.79401 -32.1355 -68.9752 -2.44539 6.79395 -2.44534 73.6163 GPRESSAVG: 1399000 -11.2573 -32.4665 8.51399 -28.7048 -69.5906 -1.55051 3.86973 -1.1941 73.6475 TIMING: 1399000 CPU: 4063.62, 0.00287731/step Wall: 4063.62, 0.00287731/step, 2.87811 hours remaining, 206.632812 MB of memory in use. ENERGY: 1399000 739.9451 2082.5559 1946.5197 107.0576 -205618.1351 17823.7645 0.0000 0.0000 34418.0575 -148500.2348 300.5815 -182918.2923 -148409.0839 300.3872 16.0178 47.7071 559818.3339 -2.3803 -2.4001 PRESSURE: 1399200 -196.114 90.4217 73.425 90.4223 5.98016 -25.9676 73.4265 -25.9676 -60.8566 GPRESSURE: 1399200 -109.134 70.4049 -91.1628 135.876 46.4034 -126.228 103.238 14.5104 -91.8196 PRESSAVG: 1399200 -27.7975 -28.9226 -27.5567 -28.9226 32.627 -9.47797 -27.5567 -9.47804 -21.8319 GPRESSAVG: 1399200 -29.6136 -31.8739 -28.8141 -26.7338 32.8457 -11.4684 -27.4133 -9.87634 -20.2583 TIMING: 1399200 CPU: 4064.2, 0.00289583/step Wall: 4064.2, 0.00289583/step, 2.89647 hours remaining, 206.632812 MB of memory in use. ENERGY: 1399200 730.8299 2063.6370 1974.0594 106.0830 -205388.2353 17521.4640 0.0000 0.0000 34455.9496 -148536.2125 300.9124 -182992.1621 -148434.8084 300.5156 -83.6636 -51.5167 559512.5592 -5.6675 -5.6754 PRESSURE: 1399400 -33.8516 -105.544 90.6713 -105.543 -23.7324 30.2762 90.6718 30.2757 87.0882 GPRESSURE: 1399400 30.3707 -77.6525 104.677 -124.664 33.334 79.7152 31.2726 111.543 61.1851 PRESSAVG: 1399400 23.6249 18.7511 -33.4407 18.7511 36.2025 8.26641 -33.4406 8.26629 -29.3104 GPRESSAVG: 1399400 23.5521 20.6979 -31.5564 15.3979 36.8021 9.99146 -32.546 8.91263 -29.4312 TIMING: 1399400 CPU: 4064.79, 0.00293822/step Wall: 4064.79, 0.00293822/step, 2.93871 hours remaining, 206.632812 MB of memory in use. ENERGY: 1399400 803.0086 2105.1594 1991.0629 114.9993 -205760.0687 17702.6422 0.0000 0.0000 34481.1473 -148562.0489 301.1324 -183043.1962 -148470.9264 300.6173 9.8347 41.6299 558011.0170 10.1723 10.3077 PRESSURE: 1399600 145.981 35.526 -10.7332 35.5258 -100.153 76.8256 -10.7351 76.8256 206.874 GPRESSURE: 1399600 226.248 -11.5881 -32.7731 -1.61079 -67.5374 35.2258 -0.939949 116.007 203.944 PRESSAVG: 1399600 18.1006 4.32053 -45.9392 4.32057 -0.531316 8.6193 -45.9392 8.6192 0.196377 GPRESSAVG: 1399600 19.7577 5.3374 -46.4812 3.69175 -2.35376 8.47229 -46.9872 8.4236 -0.0435201 TIMING: 1399600 CPU: 4065.37, 0.00289663/step Wall: 4065.37, 0.00289663/step, 2.89695 hours remaining, 206.632812 MB of memory in use. ENERGY: 1399600 752.0481 2038.0695 1951.0957 115.7005 -205589.8707 17769.3475 0.0000 0.0000 34517.0254 -148446.5840 301.4458 -182963.6094 -148343.0920 300.6162 84.2338 120.8850 557910.6343 5.9219 5.7868 PRESSURE: 1399800 -350.999 -110.051 -83.379 -110.051 -267.227 50.5109 -83.3784 50.5106 -344.891 GPRESSURE: 1399800 -327.379 -1.29824 -138.938 -143.308 -230.715 18.6647 10.3712 -21.2547 -309.554 PRESSAVG: 1399800 17.0611 6.98674 -33.2987 6.98671 63.8814 64.2565 -33.2986 64.2565 -67.5498 GPRESSAVG: 1399800 16.349 7.31477 -34.0215 5.77885 64.7621 64.2642 -31.9677 66.7594 -68.0742 TIMING: 1399800 CPU: 4065.95, 0.00288441/step Wall: 4065.95, 0.00288441/step, 2.88457 hours remaining, 206.632812 MB of memory in use. ENERGY: 1399800 750.9925 2128.5454 1949.2555 110.8308 -204749.3589 17061.1801 0.0000 0.0000 34516.2483 -148232.3063 301.4390 -182748.5546 -148131.5258 301.0213 -321.0390 -289.2156 560554.7702 4.4642 4.3456 PRESSURE: 1400000 -166.173 -95.2053 -221.637 -95.2059 61.4828 82.2213 -221.636 82.2213 -135.443 GPRESSURE: 1400000 -76.1618 -129.682 -126.92 -3.90031 77.1438 -0.299361 -216.044 127.107 -140.409 PRESSAVG: 1400000 4.69273 -67.3719 -14.3638 -67.3719 27.0357 -20.1131 -14.3638 -20.1131 -14.8132 GPRESSAVG: 1400000 4.025 -68.3546 -13.8494 -65.2783 27.1215 -20.5781 -14.61 -22.961 -14.6805 TIMING: 1400000 CPU: 4066.53, 0.00289629/step Wall: 4066.53, 0.00289629/step, 2.89629 hours remaining, 206.632812 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: 1400000 766.1559 2032.1809 1945.3776 113.6143 -205354.2314 17558.3329 0.0000 0.0000 34485.2703 -148453.2995 301.1684 -182938.5699 -148358.9951 301.9630 -80.0442 -46.4758 557584.8889 5.6384 5.4886 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.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 -186.383 44.5071 124.611 44.5076 -178.976 -50.2888 124.611 -50.2879 214.784 GPRESSURE: 1400200 -90.3778 -31.8002 185.042 -1.8975 -161.048 26.3807 81.4542 -124.407 191.728 PRESSAVG: 1400200 13.6127 -36.8802 -18.8728 -36.8801 32.4711 -30.1356 -18.8727 -30.1357 -37.1552 GPRESSAVG: 1400200 13.736 -36.6605 -19.6729 -37.1357 32.0378 -29.1563 -19.467 -29.8458 -36.873 TIMING: 1400200 CPU: 4067.17, 0.00323073/step Wall: 4067.17, 0.00323073/step, 3.23055 hours remaining, 206.757812 MB of memory in use. ENERGY: 1400200 767.1692 2037.7272 1960.9338 115.9482 -205423.9331 17497.2459 0.0000 0.0000 34631.1216 -148413.7873 302.4422 -183044.9088 -148311.9391 301.6341 -50.1916 -19.8993 556884.4737 2.9762 2.9669 LDB: ============= START OF LOAD BALANCING ============== 4070.64 LDB: ============== END OF LOAD BALANCING =============== 4070.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4070.64 LDB: ============= START OF LOAD BALANCING ============== 4070.93 LDB: Largest compute 4821 load 0.028579 is 24.3% of average load 0.117687 LDB: Average compute 0.001735 is 1.5% of average load 0.117687 LDB: TIME 4070.93 LOAD: AVG 0.117687 MAX 0.178081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.34 MB LDB: TIME 4070.93 LOAD: AVG 0.117687 MAX 0.178081 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.406 MB LDB: TIME 4070.93 LOAD: AVG 0.117687 MAX 0.178081 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.406 MB LDB: ============== END OF LOAD BALANCING =============== 4070.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4070.94 PRESSURE: 1400400 -253.836 -14.687 -21.4289 -14.6872 24.3016 -56.6958 -21.4278 -56.6962 9.06621 GPRESSURE: 1400400 -212.805 -0.845047 -90.5086 -20.9199 57.5323 -17.2095 150.134 -43.4425 30.6645 PRESSAVG: 1400400 14.1718 30.3648 49.4338 30.3648 30.0235 -25.0237 49.4339 -25.0235 0.318915 GPRESSAVG: 1400400 13.7832 31.6368 49.8433 29.5349 30.641 -24.9366 49.4211 -24.9301 0.672138 TIMING: 1400400 CPU: 4067.76, 0.0029582/step Wall: 4067.76, 0.0029582/step, 2.95787 hours remaining, 205.601562 MB of memory in use. ENERGY: 1400400 795.7349 2079.2214 1973.2575 114.6691 -205413.3620 17648.3618 0.0000 0.0000 34446.3305 -148355.7868 300.8284 -182802.1172 -148261.1745 302.2230 -73.4893 -41.5361 558038.8058 14.8381 15.0321 PRESSURE: 1400600 76.5571 128.075 13.6063 128.077 32.7521 15.5056 13.6059 15.5056 -61.0028 GPRESSURE: 1400600 127.257 199.315 52.3845 117.193 19.5569 -34.8039 -40.6646 131.865 -9.50892 PRESSAVG: 1400600 9.79968 24.3704 -6.65188 24.3704 -35.5848 -10.8124 -6.65192 -10.8125 62.6459 GPRESSAVG: 1400600 9.29634 23.5476 -8.34782 24.8351 -34.3524 -12.9977 -4.99141 -8.44773 61.7468 TIMING: 1400600 CPU: 4068.34, 0.00289877/step Wall: 4068.34, 0.00289877/step, 2.89829 hours remaining, 205.671875 MB of memory in use. ENERGY: 1400600 745.9312 2086.6653 1972.4762 114.0583 -205633.6267 17653.7594 0.0000 0.0000 34707.2358 -148353.5005 303.1069 -183060.7364 -148261.5396 301.5167 16.1021 45.7683 558488.4633 12.2869 12.2302 PRESSURE: 1400800 -97.6708 -49.4561 18.4936 -49.4555 -40.645 -144.803 18.4933 -144.804 -140.476 GPRESSURE: 1400800 -36.9182 -106.827 41.9372 7.83465 -41.1172 -80.3042 13.8121 -142.216 -96.7961 PRESSAVG: 1400800 -5.71182 24.1159 36.2599 24.1159 -12.2673 -27.7056 36.26 -27.7055 15.0866 GPRESSAVG: 1400800 -4.77732 23.02 35.9393 26.9594 -12.2916 -26.0908 35.9248 -29.9779 15.0497 TIMING: 1400800 CPU: 4068.92, 0.00289069/step Wall: 4068.92, 0.00289069/step, 2.89005 hours remaining, 205.671875 MB of memory in use. ENERGY: 1400800 801.4087 2109.6161 1946.5279 120.5843 -205625.0763 17650.6257 0.0000 0.0000 34498.4697 -148497.8439 301.2837 -182996.3136 -148402.4875 301.2509 -92.9306 -58.2772 558206.9115 -0.9642 -0.6730 PRESSURE: 1401000 220.877 -108.485 45.8894 -108.485 205.275 -37.2207 45.8894 -37.2202 284.773 GPRESSURE: 1401000 279.657 -162.728 -15.1394 -224.082 192.105 8.28077 30.1139 -7.61171 336.936 PRESSAVG: 1401000 -38.2337 -4.75245 25.3082 -4.75242 31.9657 52.7705 25.3081 52.7706 13.9106 GPRESSAVG: 1401000 -37.7369 -5.15945 26.6261 -6.84011 30.2761 52.725 24.7279 52.098 14.8468 TIMING: 1401000 CPU: 4069.5, 0.00290671/step Wall: 4069.5, 0.00290671/step, 2.9059 hours remaining, 205.671875 MB of memory in use. ENERGY: 1401000 792.4525 2048.5844 1977.5600 119.6174 -205882.0145 17816.6907 0.0000 0.0000 34528.6980 -148598.4115 301.5477 -183127.1095 -148501.6100 301.0313 236.9750 269.5660 555975.1784 2.5476 2.4620 PRESSURE: 1401200 -279.754 134.809 -118.57 134.809 168.528 -100.853 -118.571 -100.854 -52.9171 GPRESSURE: 1401200 -268.227 129.123 -58.8488 71.1618 211.904 -90.5584 -53.5457 -84.1169 -24.2815 PRESSAVG: 1401200 -51.0169 22.5288 -59.0114 22.5288 66.8891 -0.143735 -59.0115 -0.143771 9.29976 GPRESSAVG: 1401200 -52.1269 24.9203 -59.1484 21.8357 68.3667 -0.911664 -58.0344 0.382941 8.71899 TIMING: 1401200 CPU: 4070.08, 0.00289708/step Wall: 4070.08, 0.00289708/step, 2.89611 hours remaining, 205.671875 MB of memory in use. ENERGY: 1401200 751.2886 2073.8785 1965.9904 104.4623 -205640.1028 17532.5312 0.0000 0.0000 34544.5372 -148667.4147 301.6860 -183211.9519 -148564.7861 301.2662 -54.7145 -26.8681 557860.2159 8.3907 8.3196 PRESSURE: 1401400 111.512 184.747 50.8811 184.748 -52.0128 -213.483 50.8802 -213.483 107.896 GPRESSURE: 1401400 178.779 192.287 -10.9726 136.552 -31.0045 -259.577 69.1524 -249.532 114.009 PRESSAVG: 1401400 -20.0961 -30.4953 -44.4884 -30.4953 -16.3486 -9.76622 -44.4885 -9.76622 35.0973 GPRESSAVG: 1401400 -19.9213 -32.8093 -42.8644 -30.9008 -16.3143 -7.2472 -46.374 -11.6728 35.6754 TIMING: 1401400 CPU: 4070.66, 0.0028968/step Wall: 4070.66, 0.0028968/step, 2.89567 hours remaining, 205.929688 MB of memory in use. ENERGY: 1401400 724.7333 2065.0195 1959.0849 105.7632 -205743.0362 17815.9280 0.0000 0.0000 34376.8816 -148695.6257 300.2219 -183072.5073 -148606.9970 300.3947 55.7984 87.2611 558288.5794 -0.4491 -0.1867 PRESSURE: 1401600 -116.865 -122.337 -48.3808 -122.336 -223.796 105.779 -48.3802 105.779 -91.2443 GPRESSURE: 1401600 -73.731 -122.226 -66.3814 -75.4151 -206.21 49.7858 13.2976 28.3466 -56.7993 PRESSAVG: 1401600 -1.47616 -25.5277 -45.9537 -25.5277 22.1243 -31.6493 -45.9536 -31.6493 -25.4423 GPRESSAVG: 1401600 -0.445262 -24.2444 -46.7952 -24.827 21.6352 -34.0423 -45.1873 -29.5769 -26.1683 TIMING: 1401600 CPU: 4071.24, 0.00289213/step Wall: 4071.24, 0.00289213/step, 2.89085 hours remaining, 205.929688 MB of memory in use. ENERGY: 1401600 734.0147 2129.5173 1975.3900 106.8182 -205767.6576 17544.4869 0.0000 0.0000 34549.5721 -148727.8585 301.7300 -183277.4305 -148628.0940 300.5964 -143.9684 -112.2466 558388.3646 -1.5981 -1.6595 PRESSURE: 1401800 -345.796 144.291 -139.3 144.292 -41.7734 -182.173 -139.302 -182.173 -190.047 GPRESSURE: 1401800 -317.406 211.87 -139.041 77.6488 -47.0229 -124.72 -120.545 -201.846 -131.511 PRESSAVG: 1401800 -17.5836 -22.3508 -28.3085 -22.3509 138.27 12.3739 -28.3086 12.3738 -100.888 GPRESSAVG: 1401800 -17.6938 -21.804 -25.9955 -22.0096 138.497 12.1731 -29.9527 13.045 -101.397 TIMING: 1401800 CPU: 4071.82, 0.00288123/step Wall: 4071.82, 0.00288123/step, 2.87979 hours remaining, 205.929688 MB of memory in use. ENERGY: 1401800 715.8770 2064.0927 1960.2370 111.6634 -205742.2919 17507.2600 0.0000 0.0000 34677.8168 -148705.3450 302.8500 -183383.1618 -148605.0357 300.9999 -192.5386 -165.3133 557927.0552 6.5994 6.4687 PRESSURE: 1402000 -157.385 -45.062 -179.657 -45.0621 45.8208 26.8997 -179.657 26.8986 7.25607 GPRESSURE: 1402000 -62.5127 8.88199 -216.211 -119.844 61.1971 65.6582 -140.203 1.14103 -6.72126 PRESSAVG: 1402000 -0.478514 21.3969 -5.32402 21.3969 75.8049 -50.7722 -5.32404 -50.7721 -100.624 GPRESSAVG: 1402000 -0.109185 21.1604 -5.74936 19.4841 74.7518 -50.6832 -3.67941 -50.8011 -100.041 TIMING: 1402000 CPU: 4072.39, 0.00289298/step Wall: 4072.39, 0.00289298/step, 2.89138 hours remaining, 205.929688 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: 1402000 739.2594 2102.0448 1975.0072 110.7990 -205973.5522 17898.8450 0.0000 0.0000 34264.4560 -148883.1407 299.2400 -183147.5968 -148783.3454 300.5210 -34.7695 -2.6790 558825.8348 -8.4326 -8.4661 PRESSURE: 1402200 104.643 -13.6118 -123.708 -13.612 -125.322 -142.765 -123.707 -142.767 -8.0295 GPRESSURE: 1402200 137.093 68.5556 -60.7431 -129.643 -102.102 -70.1798 -78.7972 -280.905 17.5973 PRESSAVG: 1402200 -36.6949 9.436 -1.21243 9.43603 -13.2695 -10.4544 -1.21249 -10.4545 28.9964 GPRESSAVG: 1402200 -38.4533 9.90394 -2.22229 10.5331 -11.9726 -7.24735 -2.11985 -14.5612 29.419 TIMING: 1402200 CPU: 4072.98, 0.00291576/step Wall: 4072.98, 0.00291576/step, 2.91398 hours remaining, 205.929688 MB of memory in use. ENERGY: 1402200 761.0045 2097.6110 1946.8134 113.0711 -206086.9912 17894.6482 0.0000 0.0000 34191.6434 -149082.1995 298.6041 -183273.8429 -148983.4590 299.3594 -9.5693 17.5293 559000.4624 -6.9893 -7.0023 PRESSURE: 1402400 99.4155 -20.0599 -8.1545 -20.0594 -8.97642 16.9528 -8.15383 16.9534 -261.082 GPRESSURE: 1402400 122.344 -39.4716 45.6035 -87.7257 31.0561 55.7927 -73.9136 -48.8486 -229.477 PRESSAVG: 1402400 -35.2148 23.0562 -17.6265 23.0561 0.268438 -27.6815 -17.6265 -27.6813 30.7631 GPRESSAVG: 1402400 -34.2397 22.2557 -17.8779 20.7542 0.294963 -30.4612 -16.2023 -26.279 30.26 TIMING: 1402400 CPU: 4073.56, 0.00288903/step Wall: 4073.56, 0.00288903/step, 2.88711 hours remaining, 205.929688 MB of memory in use. ENERGY: 1402400 752.4993 2100.6069 1976.2664 124.8846 -205644.6542 17490.5646 0.0000 0.0000 34212.5316 -148987.3009 298.7865 -183199.8325 -148895.8081 299.3612 -56.8809 -25.3590 559268.5696 -1.3944 -1.2283 PRESSURE: 1402600 56.6306 -2.93401 106.84 -2.93397 -309.66 -163.782 106.839 -163.78 109.938 GPRESSURE: 1402600 88.6519 -49.9456 161.347 -62.4416 -308.945 -201.262 73.05 -149.357 175.363 PRESSAVG: 1402600 34.461 -37.9792 -29.8121 -37.9792 39.0064 -14.4368 -29.8121 -14.4368 -37.2404 GPRESSAVG: 1402600 35.3889 -37.4492 -27.8848 -38.5973 37.6789 -15.3068 -30.2174 -12.1563 -37.0434 TIMING: 1402600 CPU: 4074.13, 0.00289178/step Wall: 4074.13, 0.00289178/step, 2.88969 hours remaining, 205.929688 MB of memory in use. ENERGY: 1402600 752.1799 2117.3011 1947.3026 129.3668 -205882.6384 17804.6325 0.0000 0.0000 34249.4799 -148882.3755 299.1092 -183131.8554 -148789.0888 299.4117 -47.6973 -14.9767 558800.7545 12.0757 12.0081 PRESSURE: 1402800 -101.845 84.4593 86.65 84.4601 -161.22 -28.8443 86.6509 -28.8456 -357.21 GPRESSURE: 1402800 -74.9613 60.4473 23.4039 68.6263 -160.078 -13.6037 107.24 46.6118 -292.378 PRESSAVG: 1402800 -2.96863 30.5797 -46.449 30.5797 -2.61597 6.25486 -46.449 6.25495 2.09034 GPRESSAVG: 1402800 -3.37539 27.6653 -47.6766 33.9226 -1.3403 7.43242 -47.5492 5.43361 2.22616 TIMING: 1402800 CPU: 4074.71, 0.00289331/step Wall: 4074.71, 0.00289331/step, 2.89106 hours remaining, 205.941406 MB of memory in use. ENERGY: 1402800 762.5652 2081.4905 1964.2451 106.0319 -205897.8790 17688.6264 0.0000 0.0000 34404.9309 -148889.9889 300.4668 -183294.9199 -148791.4556 299.6410 -206.7584 -175.8059 558892.2519 -1.1648 -0.8298 PRESSURE: 1403000 20.7447 -123.262 8.71797 -123.262 -36.4936 57.0984 8.71674 57.0988 203.012 GPRESSURE: 1403000 42.2417 -1.08573 36.8178 -126.375 -6.43371 88.4621 -4.21819 14.4057 243.257 PRESSAVG: 1403000 -0.07843 28.0918 31.9197 28.0917 -13.8652 -16.6541 31.9197 -16.654 -1.72095 GPRESSAVG: 1403000 0.860072 29.5815 31.7294 26.2808 -14.8688 -19.3544 30.6176 -15.7157 -2.05681 TIMING: 1403000 CPU: 4075.29, 0.00287762/step Wall: 4075.29, 0.00287762/step, 2.87522 hours remaining, 205.941406 MB of memory in use. ENERGY: 1403000 723.4678 2062.3968 1990.3912 119.8043 -205867.0432 17894.9738 0.0000 0.0000 34268.3850 -148807.6242 299.2743 -183076.0092 -148711.3570 298.9990 62.4212 93.0217 558459.0040 -5.2215 -5.3552 PRESSURE: 1403200 -43.2574 10.2347 -7.63503 10.2335 -393.407 25.6513 -7.63525 25.6527 -101.787 GPRESSURE: 1403200 -19.4905 55.2135 109.469 48.51 -353.513 103.055 -48.1296 29.8345 -79.9882 PRESSAVG: 1403200 13.0185 -11.4668 20.3911 -11.4668 -65.3836 -29.5689 20.3912 -29.5689 53.5127 GPRESSAVG: 1403200 12.5398 -11.0886 20.2752 -11.8254 -63.9578 -28.1235 22.0098 -30.2154 52.3118 TIMING: 1403200 CPU: 4075.87, 0.00289129/step Wall: 4075.87, 0.00289129/step, 2.88872 hours remaining, 205.941406 MB of memory in use. ENERGY: 1403200 722.5193 2098.6292 1969.9712 111.9492 -205762.7639 17702.7184 0.0000 0.0000 34411.5541 -148745.4224 300.5247 -183156.9765 -148661.2835 300.2720 -179.4838 -150.9972 558795.8109 0.3825 0.2979 PRESSURE: 1403400 270.113 15.0835 120.537 15.0837 33.3872 51.2649 120.537 51.2644 112.956 GPRESSURE: 1403400 273.649 11.1124 51.5589 112.434 66.3833 23.4309 51.3183 9.48742 160.649 PRESSAVG: 1403400 40.2594 12.7355 19.2238 12.7355 -71.023 6.15651 19.2239 6.15664 53.0563 GPRESSAVG: 1403400 40.16 11.5238 18.2204 16.4748 -71.764 5.83313 18.3952 6.81036 54.2815 TIMING: 1403400 CPU: 4076.45, 0.00289395/step Wall: 4076.45, 0.00289395/step, 2.89122 hours remaining, 205.941406 MB of memory in use. ENERGY: 1403400 738.5481 2143.8591 1949.7150 118.7959 -206450.1466 18081.1128 0.0000 0.0000 34324.0435 -149094.0721 299.7604 -183418.1156 -148994.6230 299.7943 138.8188 166.8939 556461.6511 7.4309 7.5592 PRESSURE: 1403600 -348.279 -47.7652 128.843 -47.7642 -126.273 -219.251 128.843 -219.25 -59.7451 GPRESSURE: 1403600 -323.665 25.4881 208.256 -80.7753 -76.2553 -141.121 89.5789 -195.09 -44.1772 PRESSAVG: 1403600 -12.7926 17.0922 6.10241 17.0922 -13.6266 6.78994 6.10238 6.7899 43.4011 GPRESSAVG: 1403600 -12.2925 18.9906 7.10965 15.3105 -14.4112 6.46407 4.96164 6.7174 43.6285 TIMING: 1403600 CPU: 4077.02, 0.00289615/step Wall: 4077.02, 0.00289615/step, 2.89325 hours remaining, 205.941406 MB of memory in use. ENERGY: 1403600 766.9231 2123.5262 1965.3914 126.0169 -205767.6137 17437.2613 0.0000 0.0000 34139.1235 -149209.3714 298.1455 -183348.4949 -149108.9911 299.3734 -178.0990 -148.0326 557153.9409 5.6607 5.6416 PRESSURE: 1403800 -384.694 97.5876 -73.9497 97.5872 -311.14 51.1624 -73.95 51.1606 -414.496 GPRESSURE: 1403800 -325.272 68.888 -43.9382 111.683 -310.178 35.4143 -102.67 101.695 -392.268 PRESSAVG: 1403800 -38.2098 5.78635 -19.2723 5.78633 24.3595 14.783 -19.2722 14.7829 -9.68486 GPRESSAVG: 1403800 -38.0698 4.31478 -19.6561 4.56487 24.3555 14.3848 -18.7789 14.8558 -9.45343 TIMING: 1403800 CPU: 4077.6, 0.00286627/step Wall: 4077.6, 0.00286627/step, 2.86324 hours remaining, 205.941406 MB of memory in use. ENERGY: 1403800 765.4270 2076.5626 1960.2782 112.5601 -205703.5057 17243.8946 0.0000 0.0000 34373.0091 -149171.7740 300.1880 -183544.7831 -149074.1113 299.3670 -370.1097 -342.5728 557806.2056 -7.8450 -7.7226 PRESSURE: 1404000 119.701 -58.2814 -52.6831 -58.2821 -268.5 -30.372 -52.6841 -30.3739 -193.424 GPRESSURE: 1404000 117.744 -63.4682 -44.7529 16.0725 -233.755 4.40474 -80.8736 -121.308 -137.006 PRESSAVG: 1404000 -16.34 13.5695 -16.181 13.5696 16.2944 8.63564 -16.181 8.63563 -30.3332 GPRESSAVG: 1404000 -16.5973 13.3105 -15.5333 13.6566 15.708 9.99206 -16.7313 7.09483 -29.2274 TIMING: 1404000 CPU: 4078.17, 0.00285975/step Wall: 4078.17, 0.00285975/step, 2.85657 hours remaining, 205.941406 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: 1404000 739.4559 2118.0683 1923.7833 116.3511 -205845.0456 17635.5107 0.0000 0.0000 34111.6485 -149200.2278 297.9055 -183311.8763 -149105.7632 299.2655 -114.0742 -84.3389 556721.2408 -10.1263 -10.0389 PRESSURE: 1404200 101.572 -67.6283 -158.07 -67.6283 89.5151 91.4193 -158.07 91.4194 -257.777 GPRESSURE: 1404200 113.217 -21.4713 -163.177 -111.081 100.877 41.187 -168.641 31.1922 -176.466 PRESSAVG: 1404200 -14.7364 -15.3183 -9.58117 -15.3183 -57.694 32.1499 -9.5812 32.15 37.1599 GPRESSAVG: 1404200 -15.9297 -15.1229 -9.02402 -17.0231 -56.9754 30.7246 -9.89966 30.7715 37.6293 TIMING: 1404200 CPU: 4078.75, 0.0028835/step Wall: 4078.75, 0.0028835/step, 2.88013 hours remaining, 205.941406 MB of memory in use. ENERGY: 1404200 782.8040 2125.6524 1929.4405 111.6771 -206209.1045 17817.9305 0.0000 0.0000 34360.4687 -149081.1312 300.0785 -183441.6000 -148987.6325 298.7878 -22.2300 12.5428 556918.7157 -11.7568 -11.7586 LDB: ============= START OF LOAD BALANCING ============== 4082.21 LDB: ============== END OF LOAD BALANCING =============== 4082.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4082.21 LDB: ============= START OF LOAD BALANCING ============== 4082.5 LDB: Largest compute 4821 load 0.028956 is 24.6% of average load 0.117632 LDB: Average compute 0.001738 is 1.5% of average load 0.117632 LDB: TIME 4082.51 LOAD: AVG 0.117632 MAX 0.177805 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.34 MB LDB: TIME 4082.51 LOAD: AVG 0.117632 MAX 0.177805 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.449 MB LDB: TIME 4082.51 LOAD: AVG 0.117632 MAX 0.177805 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.449 MB LDB: ============== END OF LOAD BALANCING =============== 4082.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4082.51 PRESSURE: 1404400 -218.713 176.784 -102.234 176.784 93.6685 52.6173 -102.234 52.6175 -178.182 GPRESSURE: 1404400 -182.5 92.4926 -40.8561 141.934 74.1915 76.7311 -92.5518 64.5047 -96.1919 PRESSAVG: 1404400 -2.63934 13.607 3.60803 13.607 43.6988 28.9857 3.60803 28.9855 -50.3164 GPRESSAVG: 1404400 -1.66699 13.4051 3.02143 17.2867 42.5334 28.0596 3.85993 33.1154 -50.6648 TIMING: 1404400 CPU: 4079.34, 0.0029578/step Wall: 4079.34, 0.0029578/step, 2.95418 hours remaining, 204.949219 MB of memory in use. ENERGY: 1404400 719.5021 2139.0814 1938.3090 113.7231 -206180.8079 17600.5154 0.0000 0.0000 34430.3173 -149239.3597 300.6885 -183669.6769 -149134.9107 299.3964 -101.0755 -68.1667 555047.7435 -3.0856 -3.2661 PRESSURE: 1404600 -49.5036 -163.901 46.7857 -163.901 -337.601 25.8041 46.7848 25.8047 -141.105 GPRESSURE: 1404600 -19.3576 -203.873 76.1987 -119.83 -282.73 -22.774 60.7049 -71.4014 -118.906 PRESSAVG: 1404600 38.465 -31.5357 36.5706 -31.5357 -20.4958 52.283 36.5706 52.2829 -9.6408 GPRESSAVG: 1404600 38.9437 -30.35 38.1475 -34.1949 -19.254 53.5496 37.244 50.893 -11.0423 TIMING: 1404600 CPU: 4079.91, 0.00287073/step Wall: 4079.91, 0.00287073/step, 2.86707 hours remaining, 205.152344 MB of memory in use. ENERGY: 1404600 748.0035 2083.7222 1941.4933 110.1269 -206151.3961 17798.0729 0.0000 0.0000 34377.7137 -149092.2637 300.2291 -183469.9774 -148987.8661 300.0148 -176.0698 -140.3312 558041.1760 2.7761 2.8825 PRESSURE: 1404800 17.4095 50.6212 16.5521 50.6212 229.214 -2.4336 16.5519 -2.43369 31.5732 GPRESSURE: 1404800 46.2286 -6.53107 -62.8359 132.688 190.294 -30.3524 85.8685 1.66391 127.883 PRESSAVG: 1404800 79.6733 -40.8888 24.3939 -40.8888 -35.3113 17.6362 24.394 17.6362 -36.0132 GPRESSAVG: 1404800 79.0554 -40.9333 22.4837 -40.2553 -34.5986 16.114 24.9584 18.0357 -35.9714 TIMING: 1404800 CPU: 4080.49, 0.0028867/step Wall: 4080.49, 0.0028867/step, 2.88286 hours remaining, 205.152344 MB of memory in use. ENERGY: 1404800 734.0086 2087.1999 1947.0192 109.7779 -206113.9536 17939.0749 0.0000 0.0000 34444.3860 -148852.4872 300.8114 -183296.8733 -148757.2903 300.0706 92.7321 121.4686 558163.7485 2.7829 2.8285 PRESSURE: 1405000 94.0963 76.4509 67.7018 76.4508 -23.2193 48.8915 67.7019 48.8914 9.35445 GPRESSURE: 1405000 154.582 93.5362 95.0186 57.3657 4.83001 57.4355 124.729 -9.51717 22.2507 PRESSAVG: 1405000 87.1161 16.0513 -14.2291 16.0513 -16.0084 -34.7603 -14.2291 -34.7604 -32.9337 GPRESSAVG: 1405000 88.2459 15.043 -14.6049 15.6772 -17.1907 -33.8657 -14.1425 -36.6077 -32.8607 TIMING: 1405000 CPU: 4081.07, 0.00290063/step Wall: 4081.07, 0.00290063/step, 2.8966 hours remaining, 205.152344 MB of memory in use. ENERGY: 1405000 752.1986 2113.3867 1967.0689 122.9265 -205990.2391 17846.2947 0.0000 0.0000 34168.8887 -149019.4750 298.4054 -183188.3637 -148916.1043 300.2550 26.7438 60.5541 557760.0560 12.7247 12.7315 PRESSURE: 1405200 -170.984 126.89 -41.8725 126.89 -168.002 -63.4523 -41.8712 -63.4527 139.342 GPRESSURE: 1405200 -104.481 46.6767 -166.74 105.626 -133.45 -3.2871 55.1787 -110.896 137.276 PRESSAVG: 1405200 -12.678 -13.8223 50.8286 -13.8223 25.2726 -3.15771 50.8286 -3.15779 6.45591 GPRESSAVG: 1405200 -13.0883 -12.9061 50.1234 -12.6085 25.7953 -2.34387 50.3874 -3.34715 6.44779 TIMING: 1405200 CPU: 4081.65, 0.00289459/step Wall: 4081.65, 0.00289459/step, 2.89041 hours remaining, 205.152344 MB of memory in use. ENERGY: 1405200 806.3763 2082.8658 1950.9357 104.4189 -206305.0496 17882.5798 0.0000 0.0000 34492.7599 -148985.1131 301.2339 -183477.8730 -148888.7361 299.6915 -66.5478 -33.5517 556490.6295 6.3502 6.3849 PRESSURE: 1405400 -0.319101 99.1738 15.5245 99.174 43.9481 41.0081 15.5245 41.0073 -321.898 GPRESSURE: 1405400 -15.2103 196.868 -52.6058 136.854 121.326 -26.466 53.1783 4.06832 -277.072 PRESSAVG: 1405400 7.20817 -25.1196 78.673 -25.1196 -11.0971 37.5732 78.673 37.5731 -13.8348 GPRESSAVG: 1405400 5.90874 -24.7444 78.8155 -26.3206 -10.2456 37.1583 79.4489 38.7252 -13.8403 TIMING: 1405400 CPU: 4082.23, 0.00292206/step Wall: 4082.23, 0.00292206/step, 2.91767 hours remaining, 205.152344 MB of memory in use. ENERGY: 1405400 699.8824 2090.8838 1932.1452 108.0572 -205765.8695 17708.4861 0.0000 0.0000 34235.3784 -148991.0363 298.9861 -183226.4147 -148903.5901 299.3787 -92.7562 -56.9856 558488.6256 -5.9079 -6.0591 PRESSURE: 1405600 226.497 -84.9714 -81.7587 -84.9717 58.3716 211.704 -81.7592 211.703 -116.442 GPRESSURE: 1405600 245.938 -117.809 -102.792 -26.2759 60.2503 189.11 -41.2841 181.606 -38.3103 PRESSAVG: 1405600 -3.20929 -23.8959 77.0418 -23.8959 -11.4299 -3.04088 77.0418 -3.04075 13.0999 GPRESSAVG: 1405600 -2.79311 -23.4161 77.0617 -25.6873 -11.2353 -3.2514 78.9058 -4.16587 13.2189 TIMING: 1405600 CPU: 4082.81, 0.00290743/step Wall: 4082.81, 0.00290743/step, 2.9029 hours remaining, 205.152344 MB of memory in use. ENERGY: 1405600 746.9998 2103.9965 1919.1937 117.3696 -206475.7107 17968.8882 0.0000 0.0000 34428.9267 -149190.3363 300.6764 -183619.2630 -149091.7397 299.8912 56.1423 89.2926 557701.9615 -0.5131 -0.2698 PRESSURE: 1405800 4.19307 -161.384 -1.41607 -161.385 -89.4189 -70.8789 -1.4155 -70.8785 -140.261 GPRESSURE: 1405800 9.93748 -181.327 40.5538 -102.448 -90.8953 -25.351 -4.68893 -141.654 -65.7602 PRESSAVG: 1405800 44.7144 0.932495 0.0549204 0.932499 -82.4858 -30.5957 0.0549039 -30.5957 -16.3036 GPRESSAVG: 1405800 45.8117 -1.23766 1.67152 2.83597 -83.9616 -30.4599 -1.61168 -28.144 -15.6904 TIMING: 1405800 CPU: 4083.39, 0.00288658/step Wall: 4083.39, 0.00288658/step, 2.88193 hours remaining, 205.152344 MB of memory in use. ENERGY: 1405800 781.6359 2037.2204 1953.1553 109.6583 -206309.2471 17880.7167 0.0000 0.0000 34239.1588 -149307.7018 299.0191 -183546.8606 -149211.0298 298.8876 -75.1623 -48.9060 557250.2322 -18.0250 -17.9468 PRESSURE: 1406000 11.7935 109.102 25.5751 109.102 19.987 30.7482 25.5761 30.748 -72.8946 GPRESSURE: 1406000 21.5925 136.373 -22.5478 -28.8379 56.1061 7.24183 49.6871 100.125 -24.5729 PRESSAVG: 1406000 -14.9142 3.69641 -65.0579 3.69646 -7.61449 11.3177 -65.0579 11.3177 56.3012 GPRESSAVG: 1406000 -14.8775 4.76634 -66.1127 4.29539 -8.77846 12.677 -65.575 10.2092 57.6448 TIMING: 1406000 CPU: 4083.97, 0.00290597/step Wall: 4083.97, 0.00290597/step, 2.90113 hours remaining, 205.152344 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: 1406000 779.3701 2073.8279 1954.7359 115.5664 -206170.4165 17808.6076 0.0000 0.0000 34179.4082 -149258.9004 298.4973 -183438.3086 -149159.5519 299.0187 -13.7047 17.7086 557116.7359 11.2575 11.3296 PRESSURE: 1406200 244.95 62.285 288.521 62.2851 -131.856 -106.519 288.522 -106.518 159.448 GPRESSURE: 1406200 301.345 72.9597 256.6 58.6613 -112.925 -111.362 280.686 -71.711 188.45 PRESSAVG: 1406200 -11.7534 93.9353 -45.4466 93.9354 35.4819 7.8181 -45.4467 7.81809 -34.2494 GPRESSAVG: 1406200 -11.8779 93.5717 -45.288 92.0531 37.3238 4.23456 -44.9664 10.045 -35.7406 TIMING: 1406200 CPU: 4084.55, 0.00290459/step Wall: 4084.55, 0.00290459/step, 2.89958 hours remaining, 205.152344 MB of memory in use. ENERGY: 1406200 761.3265 2127.8779 1932.5895 103.4089 -206207.3022 17832.7406 0.0000 0.0000 34413.8473 -149035.5115 300.5447 -183449.3589 -148936.8403 298.9889 90.8474 125.6232 555054.6140 -3.5070 -3.4316 PRESSURE: 1406400 -244.295 -78.9106 -46.0006 -78.9104 -1.69728 134.369 -46.0017 134.367 -165.362 GPRESSURE: 1406400 -230.03 -95.4064 -105.985 -62.051 54.5038 90.2982 7.20813 104.607 -144.454 PRESSAVG: 1406400 9.41603 15.7679 16.0559 15.768 -34.8049 6.59984 16.0558 6.59981 46.5679 GPRESSAVG: 1406400 9.84324 15.3572 14.9466 16.9676 -35.8279 9.76797 16.625 3.08537 47.4962 TIMING: 1406400 CPU: 4085.13, 0.00289231/step Wall: 4085.13, 0.00289231/step, 2.88716 hours remaining, 205.152344 MB of memory in use. ENERGY: 1406400 720.9345 2100.4465 1946.6098 121.5665 -205892.4281 17603.1874 0.0000 0.0000 34298.9784 -149100.7049 299.5415 -183399.6833 -149006.0485 299.0412 -137.1181 -106.6600 557524.6777 7.0597 7.1705 PRESSURE: 1406600 61.7456 -117.872 129.016 -117.871 218.993 112.172 129.016 112.17 48.5722 GPRESSURE: 1406600 87.6217 -201.405 166.556 -74.5502 166.405 74.5467 64.7824 207.827 166.568 PRESSAVG: 1406600 53.9172 -1.69903 65.4457 -1.69904 7.71203 40.9091 65.4457 40.9091 -62.282 GPRESSAVG: 1406600 54.0473 -0.592638 67.9168 -2.59334 8.06989 39.3922 64.5598 41.7809 -62.8981 TIMING: 1406600 CPU: 4085.71, 0.00288652/step Wall: 4085.71, 0.00288652/step, 2.88122 hours remaining, 205.152344 MB of memory in use. ENERGY: 1406600 761.3395 2093.6594 1961.4166 116.6070 -206285.4136 17877.2038 0.0000 0.0000 34307.2528 -149167.9346 299.6138 -183475.1874 -149070.6217 299.5812 109.7703 140.1981 556371.8259 -0.2176 -0.2603 PRESSURE: 1406800 -88.3738 24.0238 -2.93089 24.0235 104.135 -100.191 -2.92826 -100.191 -216.187 GPRESSURE: 1406800 -72.3539 66.3125 -75.4069 -7.77515 138.312 -49.7662 25.777 -168.2 -163.022 PRESSAVG: 1406800 78.8867 40.4079 -25.016 40.4079 10.5606 -18.9978 -25.0159 -18.9977 -79.3902 GPRESSAVG: 1406800 78.3522 40.3797 -25.6604 40.3667 10.7903 -17.5437 -26.3326 -20.3195 -79.5666 TIMING: 1406800 CPU: 4086.29, 0.00287765/step Wall: 4086.29, 0.00287765/step, 2.87222 hours remaining, 205.152344 MB of memory in use. ENERGY: 1406800 759.2148 2025.1929 1952.4768 106.1335 -205947.0128 17616.9139 0.0000 0.0000 34364.1925 -149122.8883 300.1110 -183487.0807 -149019.6224 299.1920 -66.8085 -32.3548 556982.2862 3.3524 3.1920 PRESSURE: 1407000 53.1159 -47.7648 12.4455 -47.7653 -91.3653 113.488 12.4452 113.488 34.2909 GPRESSURE: 1407000 88.5464 -1.32287 62.0577 -59.0399 -57.1387 75.9697 17.5793 114.755 58.1934 PRESSAVG: 1407000 68.8645 30.703 -15.7758 30.703 -37.4659 27.6047 -15.7758 27.6045 -17.4968 GPRESSAVG: 1407000 68.284 30.0359 -14.4899 31.811 -38.0525 27.003 -15.8059 29.3194 -16.3144 TIMING: 1407000 CPU: 4086.86, 0.00288399/step Wall: 4086.86, 0.00288399/step, 2.87838 hours remaining, 205.152344 MB of memory in use. ENERGY: 1407000 740.0467 2058.0410 1927.9223 119.6079 -206178.5504 17872.3778 0.0000 0.0000 34379.7353 -149080.8195 300.2468 -183460.5548 -148984.1692 299.7052 -1.3195 29.8670 557093.0927 4.6340 4.6390 PRESSURE: 1407200 38.2513 -68.1606 82.1762 -68.1614 276.163 59.9845 82.1767 59.9851 219.161 GPRESSURE: 1407200 63.9247 -15.5219 137.75 -96.5648 297.779 88.406 71.0625 58.1174 254.287 PRESSAVG: 1407200 -8.78339 -15.0707 -23.9143 -15.0708 38.153 89.5275 -23.9144 89.5274 -35.231 GPRESSAVG: 1407200 -7.3068 -16.1741 -26.3923 -14.7235 38.5379 89.1452 -22.1083 90.9502 -36.7355 TIMING: 1407200 CPU: 4087.44, 0.00288851/step Wall: 4087.44, 0.00288851/step, 2.88273 hours remaining, 205.152344 MB of memory in use. ENERGY: 1407200 706.1670 2046.7696 1969.3604 116.1721 -206307.2765 18027.5556 0.0000 0.0000 34325.7375 -149115.5143 299.7752 -183441.2518 -149022.7234 299.5687 177.8585 205.3302 557988.0863 -1.9538 -1.8348 PRESSURE: 1407400 -158.832 38.2912 -67.3938 38.2926 144.592 44.6726 -67.393 44.672 100.449 GPRESSURE: 1407400 -116.442 81.6481 -57.0848 133.583 200.977 32.067 2.13596 -9.62828 104.213 PRESSAVG: 1407400 -71.9448 3.09669 -11.3994 3.09684 -1.2901 0.663069 -11.3994 0.662974 60.1606 GPRESSAVG: 1407400 -72.9618 3.45643 -8.66713 4.24805 -1.95842 -0.0768366 -12.5406 -0.977409 61.6176 TIMING: 1407400 CPU: 4088.02, 0.00289674/step Wall: 4088.02, 0.00289674/step, 2.89078 hours remaining, 205.152344 MB of memory in use. ENERGY: 1407400 756.9679 2110.0555 1935.9663 103.4706 -206243.8142 17939.2210 0.0000 0.0000 34388.7682 -149009.3646 300.3257 -183398.1329 -148910.8977 299.8931 28.7363 62.9161 558671.2658 -4.3581 -4.4342 PRESSURE: 1407600 -198.863 282.043 27.5865 282.043 285.323 -6.31312 27.587 -6.31272 -316.826 GPRESSURE: 1407600 -115.394 169.669 115.552 282.335 281.246 -48.8057 -17.3435 114.656 -312.665 PRESSAVG: 1407600 -4.70513 15.8426 -30.6097 15.8426 -6.59747 26.2487 -30.6097 26.2487 -7.26344 GPRESSAVG: 1407600 -4.63948 16.9243 -34.5389 15.6448 -7.24796 27.2944 -29.5859 27.5433 -7.02581 TIMING: 1407600 CPU: 4088.6, 0.00289854/step Wall: 4088.6, 0.00289854/step, 2.89242 hours remaining, 205.152344 MB of memory in use. ENERGY: 1407600 773.2951 2049.9720 1949.7250 118.2639 -205778.1959 17632.3871 0.0000 0.0000 34248.9682 -149005.5846 299.1048 -183254.5528 -148909.7168 299.3943 -76.7887 -48.9377 557024.6607 -6.1887 -6.3044 PRESSURE: 1407800 -104.505 -28.7559 135.656 -28.7562 -110.848 -48.1603 135.657 -48.1584 -202.161 GPRESSURE: 1407800 -42.1837 -18.1994 105.341 -8.94116 -139.819 -72.5071 100.093 0.0382542 -148.821 PRESSAVG: 1407800 10.5886 11.0269 2.49654 11.0267 -16.5362 -17.6269 2.49658 -17.627 -43.9909 GPRESSAVG: 1407800 9.92851 11.9458 5.02314 8.34337 -15.1758 -18.272 2.21776 -18.6617 -44.837 TIMING: 1407800 CPU: 4089.17, 0.00287473/step Wall: 4089.17, 0.00287473/step, 2.8685 hours remaining, 205.152344 MB of memory in use. ENERGY: 1407800 759.9804 2107.1358 1956.8711 122.2730 -206004.4415 17666.1190 0.0000 0.0000 34337.0050 -149055.0573 299.8736 -183392.0622 -148955.5345 299.3021 -139.1711 -110.2746 557055.3149 -16.6462 -16.6948 PRESSURE: 1408000 27.9258 119.544 -37.9788 119.544 85.3569 74.0933 -37.978 74.0925 16.2894 GPRESSURE: 1408000 47.9561 97.3952 -48.2667 81.6276 165.592 22.5464 -7.74835 109.525 14.5805 PRESSAVG: 1408000 48.4538 13.8646 29.469 13.8646 -19.3308 72.2575 29.469 72.2574 -7.93532 GPRESSAVG: 1408000 48.6456 12.9398 29.9374 15.2591 -19.0888 72.5962 27.5931 70.0055 -8.14828 TIMING: 1408000 CPU: 4089.75, 0.00287608/step Wall: 4089.75, 0.00287608/step, 2.86969 hours remaining, 205.152344 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: 1408000 747.3796 2067.4880 1966.1024 114.2763 -206160.3198 17920.3496 0.0000 0.0000 34300.2274 -149044.4964 299.5524 -183344.7239 -148941.6665 300.0806 43.1907 76.0430 556913.0209 7.0626 7.1362 PRESSURE: 1408200 -33.6408 29.3255 -28.7317 29.3255 -434.59 108.906 -28.7319 108.905 -19.2607 GPRESSURE: 1408200 -57.863 71.6316 -96.2889 96.1655 -390.737 110.933 -100.796 153.829 58.8813 PRESSAVG: 1408200 2.73219 55.7097 -10.6801 55.7096 -24.718 36.1041 -10.6801 36.1041 -6.73887 GPRESSAVG: 1408200 4.21835 57.2721 -12.3192 57.2244 -26.4181 35.5639 -9.97419 40.5232 -6.87143 TIMING: 1408200 CPU: 4090.32, 0.00287769/step Wall: 4090.32, 0.00287769/step, 2.87113 hours remaining, 205.152344 MB of memory in use. ENERGY: 1408200 718.2199 2051.6997 1983.7348 120.9718 -205864.4858 17607.2191 0.0000 0.0000 34254.2298 -149128.4108 299.1507 -183382.6405 -149025.6905 299.5792 -162.4972 -129.9062 558351.0611 -9.5749 -9.6904 LDB: ============= START OF LOAD BALANCING ============== 4093.79 LDB: ============== END OF LOAD BALANCING =============== 4093.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4093.79 LDB: ============= START OF LOAD BALANCING ============== 4094.08 LDB: Largest compute 4820 load 0.028906 is 24.6% of average load 0.117728 LDB: Average compute 0.001736 is 1.5% of average load 0.117728 LDB: TIME 4094.09 LOAD: AVG 0.117728 MAX 0.175603 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.398 MB LDB: TIME 4094.09 LOAD: AVG 0.117728 MAX 0.175603 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.469 MB LDB: TIME 4094.09 LOAD: AVG 0.117728 MAX 0.175603 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.469 MB LDB: ============== END OF LOAD BALANCING =============== 4094.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4094.09 PRESSURE: 1408400 39.1741 -63.2157 58.1385 -63.2172 15.8616 28.0154 58.1378 28.0156 52.1293 GPRESSURE: 1408400 87.4716 -14.2865 -34.7055 -131.172 60.706 24.8267 30.9553 30.102 54.4287 PRESSAVG: 1408400 71.7805 23.4218 -9.86 23.4219 -80.1874 66.0756 -9.85997 66.0754 -27.8579 GPRESSAVG: 1408400 70.2724 22.2289 -10.0325 22.1598 -78.6323 65.4796 -8.88558 64.8585 -27.5872 TIMING: 1408400 CPU: 4090.92, 0.00296356/step Wall: 4090.92, 0.00296356/step, 2.95665 hours remaining, 206.289062 MB of memory in use. ENERGY: 1408400 723.6254 2096.3113 1979.8176 112.6760 -205940.9369 17763.5751 0.0000 0.0000 34268.2366 -148996.6949 299.2730 -183264.9315 -148903.2188 299.4937 35.7217 67.5355 556301.1620 -12.0882 -11.9824 PRESSURE: 1408600 107.007 137.273 -112.578 137.273 1.34535 41.4248 -112.577 41.4245 -229.704 GPRESSURE: 1408600 125.465 71.6352 -139.433 131.636 16.781 95.1849 -105.764 66.3558 -168.01 PRESSAVG: 1408600 6.70353 -6.81688 -31.5572 -6.8169 6.50212 -25.7964 -31.5572 -25.7964 -38.1793 GPRESSAVG: 1408600 7.93514 -6.40221 -29.9768 -7.09083 5.4417 -25.1687 -31.2805 -25.8954 -38.3343 TIMING: 1408600 CPU: 4091.5, 0.0029116/step Wall: 4091.5, 0.0029116/step, 2.90464 hours remaining, 206.359375 MB of memory in use. ENERGY: 1408600 726.5322 2073.3893 1953.2533 118.4512 -205652.8734 17596.0020 0.0000 0.0000 34088.1701 -149097.0753 297.7005 -183185.2455 -148999.6608 299.0726 -40.4503 -8.5879 556293.0794 -8.3246 -8.3192 PRESSURE: 1408800 -94.0232 -73.43 -104.082 -73.4298 -21.5102 111.041 -104.082 111.04 163.508 GPRESSURE: 1408800 -37.7795 -39.4706 -74.7925 -163.199 6.72636 135.056 -113.702 -1.1997 179.016 PRESSAVG: 1408800 -59.009 7.34035 -6.36412 7.3403 1.57261 72.5184 -6.36405 72.5184 78.1592 GPRESSAVG: 1408800 -59.7031 5.77014 -7.58987 7.09206 2.32337 71.8404 -6.85599 70.7068 77.5144 TIMING: 1408800 CPU: 4092.08, 0.00291213/step Wall: 4092.08, 0.00291213/step, 2.90501 hours remaining, 206.359375 MB of memory in use. ENERGY: 1408800 742.0666 2048.0201 1966.5081 129.6170 -206348.3347 17816.9740 0.0000 0.0000 34433.0946 -149212.0543 300.7128 -183645.1489 -149109.8831 299.2949 15.9916 49.3210 555408.9847 6.9076 6.7115 PRESSURE: 1409000 -119.277 -149.949 -5.53847 -149.951 96.2083 34.8381 -5.5388 34.8383 -131.365 GPRESSURE: 1409000 -99.5867 -212.344 -35.4403 -121.223 131.998 47.1682 15.9299 112.581 -89.1923 PRESSAVG: 1409000 32.0011 -11.256 20.4277 -11.256 -3.68849 5.59604 20.4277 5.59599 -11.2526 GPRESSAVG: 1409000 31.9908 -10.9648 20.2031 -9.94215 -3.4034 6.88677 21.2659 8.302 -10.7784 TIMING: 1409000 CPU: 4092.66, 0.00291133/step Wall: 4092.66, 0.00291133/step, 2.90405 hours remaining, 206.359375 MB of memory in use. ENERGY: 1409000 757.5133 2083.0309 1927.0144 115.6774 -205879.6804 17755.7254 0.0000 0.0000 34184.0554 -149056.6636 298.5379 -183240.7190 -148960.2788 298.8042 -51.4780 -18.9271 557816.4467 5.6867 5.9363 PRESSURE: 1409200 36.3279 -64.9161 66.1462 -64.9158 -20.2918 3.66396 66.1465 3.66203 94.0467 GPRESSURE: 1409200 56.3084 -16.8409 46.3621 -51.7423 39.6811 42.1665 120.744 -41.2475 117.53 PRESSAVG: 1409200 12.0779 -3.11606 -2.48796 -3.11601 -11.0257 10.4919 -2.48792 10.4919 10.3666 GPRESSAVG: 1409200 13.861 -2.53237 -1.02072 -3.54891 -11.8437 8.67449 -3.80176 11.5614 10.3397 TIMING: 1409200 CPU: 4093.25, 0.00290535/step Wall: 4093.25, 0.00290535/step, 2.89792 hours remaining, 206.359375 MB of memory in use. ENERGY: 1409200 742.3888 2097.1837 1962.6923 115.1641 -205937.7643 17776.7478 0.0000 0.0000 34250.4328 -148993.1549 299.1175 -183243.5876 -148895.7719 299.2884 36.6943 71.1733 556644.9404 3.8063 4.1190 PRESSURE: 1409400 110.174 -97.3686 103.841 -97.3691 43.8494 -47.7885 103.841 -47.7876 83.7784 GPRESSURE: 1409400 101.536 -24.3989 114.21 -27.9349 75.6027 -42.0323 28.8693 -34.3258 147.763 PRESSAVG: 1409400 79.7253 37.1681 3.81355 37.168 1.00542 21.9422 3.81355 21.9421 5.78102 GPRESSAVG: 1409400 79.4023 36.8343 3.72105 38.2273 0.794071 24.4698 3.2487 19.8284 5.65495 TIMING: 1409400 CPU: 4093.83, 0.00290613/step Wall: 4093.83, 0.00290613/step, 2.89854 hours remaining, 206.359375 MB of memory in use. ENERGY: 1409400 782.2998 2145.6577 1973.9774 111.2510 -206199.6696 17918.1370 0.0000 0.0000 34196.4786 -149071.8681 298.6464 -183268.3467 -148979.2344 299.6028 79.2672 108.3007 556497.2852 28.8372 28.6171 PRESSURE: 1409600 27.4814 -12.8044 -126.106 -12.8047 -33.7219 40.7594 -126.105 40.7587 5.69293 GPRESSURE: 1409600 79.8872 -115.012 -79.9076 104.362 -13.2968 -7.66645 -53.3681 36.9975 32.705 PRESSAVG: 1409600 -32.5773 32.3981 -13.6488 32.398 11.5539 -60.7508 -13.6488 -60.7507 24.5087 GPRESSAVG: 1409600 -33.2404 32.0161 -13.6786 31.967 11.921 -62.564 -12.1274 -60.8084 24.9207 TIMING: 1409600 CPU: 4094.41, 0.00291671/step Wall: 4094.41, 0.00291671/step, 2.90893 hours remaining, 206.359375 MB of memory in use. ENERGY: 1409600 724.4251 2034.3726 1963.3688 116.4068 -206195.1303 17776.7833 0.0000 0.0000 34280.9532 -149298.8206 299.3841 -183579.7738 -149197.6289 298.8421 -0.1825 33.0985 557406.1966 1.1618 1.2004 PRESSURE: 1409800 -169.001 137.887 50.0452 137.886 45.3848 -58.3146 50.0441 -58.3133 240.942 GPRESSURE: 1409800 -155.928 123.193 80.1363 127.224 100.734 -3.83514 79.9568 -90.6492 257.173 PRESSAVG: 1409800 -26.2264 -5.80039 -48.7176 -5.80052 -45.1352 -36.7212 -48.7174 -36.7212 63.1453 GPRESSAVG: 1409800 -26.2193 -5.2644 -48.756 -6.78831 -45.3821 -36.4575 -49.7552 -33.8606 62.7559 TIMING: 1409800 CPU: 4095, 0.00293356/step Wall: 4095, 0.00293356/step, 2.92558 hours remaining, 206.359375 MB of memory in use. ENERGY: 1409800 743.9428 2084.4969 1986.7194 126.4125 -206315.2354 17881.9211 0.0000 0.0000 34118.1331 -149373.6096 297.9621 -183491.7427 -149275.5414 298.6405 39.1085 67.3263 557850.6678 -2.7388 -2.9485 PRESSURE: 1410000 20.2159 -32.8102 25.2363 -32.8108 109.611 86.5668 25.2364 86.5651 10.9628 GPRESSURE: 1410000 31.1443 -37.6243 -7.11975 13.6454 102.813 60.5538 12.0277 120.077 93.6326 PRESSAVG: 1410000 8.10313 3.99372 -20.3141 3.99364 -27.5872 22.6583 -20.3141 22.6585 21.4166 GPRESSAVG: 1410000 9.16935 5.31139 -19.5396 3.02107 -28.4869 24.2372 -19.4247 19.4833 20.7602 TIMING: 1410000 CPU: 4095.58, 0.00290462/step Wall: 4095.58, 0.00290462/step, 2.89656 hours remaining, 206.359375 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: 1410000 721.8684 2108.7893 1966.8930 123.5412 -206148.3452 17747.3649 0.0000 0.0000 34137.0727 -149342.8157 298.1275 -183479.8884 -149247.5421 298.9746 46.9300 75.8632 557149.8843 0.6442 0.4809 PRESSURE: 1410200 23.1386 -129.945 -84.359 -129.944 30.3188 45.5752 -84.3598 45.5751 250.113 GPRESSURE: 1410200 56.2719 -212.973 -8.52014 -71.919 92.6361 -8.77063 -5.3687 59.6004 255.734 PRESSAVG: 1410200 -26.1084 5.09744 -22.6326 5.09745 -11.985 14.5737 -22.6326 14.5739 55.8615 GPRESSAVG: 1410200 -26.013 4.25242 -24.6012 6.59456 -11.9179 14.8994 -25.1111 13.1213 56.0407 TIMING: 1410200 CPU: 4096.16, 0.00290997/step Wall: 4096.16, 0.00290997/step, 2.90173 hours remaining, 206.359375 MB of memory in use. ENERGY: 1410200 723.8903 2077.6705 1942.9984 104.1189 -205852.7217 17583.9730 0.0000 0.0000 34226.7249 -149193.3457 298.9105 -183420.0706 -149099.3892 298.8272 101.1902 134.8806 557061.9675 5.9227 6.0366 PRESSURE: 1410400 -103.224 1.7306 28.5465 1.73061 105.719 70.1773 28.5477 70.1772 -91.2109 GPRESSURE: 1410400 -37.3098 32.7507 28.9912 36.9438 84.8046 -33.1885 -4.60104 65.5341 -57.9009 PRESSAVG: 1410400 -17.5861 65.2119 22.1836 65.2119 23.7799 0.977056 22.1836 0.977042 3.29086 GPRESSAVG: 1410400 -18.0369 65.5219 24.0235 66.3057 24.0597 1.30728 24.079 2.86712 3.17935 TIMING: 1410400 CPU: 4096.74, 0.00290456/step Wall: 4096.74, 0.00290456/step, 2.89617 hours remaining, 206.359375 MB of memory in use. ENERGY: 1410400 779.2630 2128.1015 1964.2340 104.4329 -206094.4323 17745.4323 0.0000 0.0000 34237.1408 -149135.8277 299.0015 -183372.9685 -149037.9046 298.8200 -29.5720 -3.4687 557405.3790 3.1616 3.0674 PRESSURE: 1410600 -44.6922 -46.7808 -43.892 -46.7802 -225.507 -148.785 -43.8918 -148.785 -280.319 GPRESSURE: 1410600 -83.4502 -24.793 -68.3862 -85.77 -195.145 -194.321 -39.0209 -79.3643 -188.821 PRESSAVG: 1410600 -45.8583 -19.2708 4.07082 -19.2708 29.8984 48.2478 4.0708 48.2478 68.3613 GPRESSAVG: 1410600 -47.6398 -18.6329 3.87258 -20.6859 30.185 48.9339 3.75776 46.9929 69.4333 TIMING: 1410600 CPU: 4097.32, 0.0029024/step Wall: 4097.32, 0.0029024/step, 2.89385 hours remaining, 206.359375 MB of memory in use. ENERGY: 1410600 760.4860 2083.1821 1944.7676 115.8357 -205825.6609 17632.6335 0.0000 0.0000 34138.0273 -149150.7287 298.1359 -183288.7560 -149050.5572 299.0397 -183.5063 -155.8054 558656.1442 17.4671 17.3262 PRESSURE: 1410800 -79.9429 -35.8462 268.93 -35.846 -318.828 -138.876 268.931 -138.876 83.8454 GPRESSURE: 1410800 -14.3452 12.3181 234.99 -93.4882 -254.501 -145.191 313.984 -31.2102 47.5256 PRESSAVG: 1410800 -12.0316 -17.7345 -1.19246 -17.7345 -41.3611 0.577214 -1.19239 0.577343 24.5503 GPRESSAVG: 1410800 -10.723 -20.1021 -0.43197 -16.6044 -42.1511 -1.29253 -0.407431 2.20954 24.5299 TIMING: 1410800 CPU: 4097.9, 0.00290967/step Wall: 4097.9, 0.00290967/step, 2.90095 hours remaining, 206.359375 MB of memory in use. ENERGY: 1410800 770.7664 2096.8036 1938.3543 113.7314 -206190.9747 17803.2041 0.0000 0.0000 34214.5378 -149253.5771 298.8041 -183468.1149 -149155.5863 299.0553 -104.9752 -73.7735 558918.6374 -9.6141 -9.4481 PRESSURE: 1411000 358.46 51.866 2.98904 51.8653 167.427 -11.8184 2.98971 -11.8193 -71.953 GPRESSURE: 1411000 400.016 80.7366 6.88867 76.8134 213.801 -24.6673 9.05059 27.8584 -71.1755 PRESSAVG: 1411000 3.89184 -11.1372 2.30233 -11.1372 -20.557 -25.0019 2.30224 -25.0019 -5.58315 GPRESSAVG: 1411000 2.41802 -11.3512 -0.590608 -10.133 -19.7577 -24.3236 2.43553 -23.6945 -4.37144 TIMING: 1411000 CPU: 4098.48, 0.00288289/step Wall: 4098.48, 0.00288289/step, 2.87408 hours remaining, 206.441406 MB of memory in use. ENERGY: 1411000 731.5485 2135.5025 1962.5267 98.2109 -206706.9951 18093.8942 0.0000 0.0000 34435.5692 -149249.7430 300.7344 -183685.3123 -149159.1109 298.7156 151.3113 180.8805 558827.2620 -7.4161 -7.2370 PRESSURE: 1411200 46.1243 -81.0517 -10.7247 -81.0533 58.8549 22.104 -10.7241 22.1043 -278.853 GPRESSURE: 1411200 35.4873 -107.893 -26.5199 -73.7821 95.6616 48.1812 36.4016 -37.406 -207.739 PRESSAVG: 1411200 29.7588 -27.3487 -3.50299 -27.3486 7.99545 6.90245 -3.50295 6.90237 -6.26549 GPRESSAVG: 1411200 30.2234 -25.4718 -1.42374 -28.6692 7.96435 8.29995 -4.82501 4.71252 -6.79486 TIMING: 1411200 CPU: 4099.06, 0.0029061/step Wall: 4099.06, 0.0029061/step, 2.89706 hours remaining, 206.441406 MB of memory in use. ENERGY: 1411200 759.4183 2085.6941 1949.7515 114.7532 -205929.9222 17711.8251 0.0000 0.0000 34168.6386 -149139.8415 298.4032 -183308.4801 -149046.4402 299.0359 -57.9579 -25.5301 558994.5951 10.4962 10.4643 PRESSURE: 1411400 134.093 23.1028 35.7235 23.1025 -85.6444 11.7199 35.7223 11.721 134.908 GPRESSURE: 1411400 113.383 -9.84691 110.172 58.992 -39.6688 16.1462 -47.592 -24.1489 205.576 PRESSAVG: 1411400 31.6007 -52.7394 -23.1893 -52.7393 -17.6348 -48.5997 -23.1893 -48.5998 -20.7305 GPRESSAVG: 1411400 30.5251 -53.5669 -22.4061 -53.0336 -16.4973 -51.0396 -21.5349 -47.6059 -20.9051 TIMING: 1411400 CPU: 4099.64, 0.00289895/step Wall: 4099.64, 0.00289895/step, 2.88977 hours remaining, 206.441406 MB of memory in use. ENERGY: 1411400 760.0030 2063.5746 1938.7055 116.2395 -206093.1396 17999.9731 0.0000 0.0000 34237.2027 -148977.4411 299.0020 -183214.6438 -148888.2924 299.0422 61.1190 93.0969 558234.1510 -2.2549 -2.2924 PRESSURE: 1411600 -39.1784 6.12837 -39.33 6.12909 156.086 -58.6473 -39.3297 -58.6466 200.067 GPRESSURE: 1411600 -18.9327 -27.0577 41.1515 57.3291 201.739 -32.212 -74.4248 -194.58 222.758 PRESSAVG: 1411600 20.1566 -66.747 -0.19057 -66.747 -3.41391 20.6365 -0.190525 20.6366 -12.2426 GPRESSAVG: 1411600 21.1185 -65.4021 -1.2493 -67.2076 -3.83142 20.9353 -0.913187 20.9813 -12.3268 TIMING: 1411600 CPU: 4100.22, 0.00290295/step Wall: 4100.22, 0.00290295/step, 2.89359 hours remaining, 206.441406 MB of memory in use. ENERGY: 1411600 728.5402 2076.2607 1946.1520 120.5359 -206214.9914 17983.8422 0.0000 0.0000 34392.6796 -148966.9809 300.3598 -183359.6604 -148870.8556 299.3902 105.6583 135.1881 557531.0909 1.5000 1.6534 PRESSURE: 1411800 -182.593 108.429 134.148 108.429 -137.348 39.2541 134.149 39.254 -88.9473 GPRESSURE: 1411800 -85.1138 67.29 151.601 -36.521 -174.791 52.6818 79.9625 38.4664 -62.03 PRESSAVG: 1411800 19.14 -31.2038 18.2864 -31.2038 -8.8721 26.0024 18.2864 26.0023 -77.1366 GPRESSAVG: 1411800 19.583 -32.9525 19.4653 -30.3071 -9.67914 28.1029 15.83 25.3433 -76.97 TIMING: 1411800 CPU: 4100.8, 0.00289217/step Wall: 4100.8, 0.00289217/step, 2.88269 hours remaining, 206.441406 MB of memory in use. ENERGY: 1411800 738.2709 2093.7195 1950.5724 114.5390 -205662.8324 17591.6265 0.0000 0.0000 34107.3074 -149066.7966 297.8676 -183174.1040 -148973.8123 299.5708 -136.2959 -107.3117 560533.6658 -22.2896 -22.3554 PRESSURE: 1412000 312.363 -107.74 187.904 -107.74 -10.5101 -61.7498 187.904 -61.7489 41.2359 GPRESSURE: 1412000 337.964 -125.425 244.782 -60.283 66.9707 6.24776 109.432 -62.8582 29.2573 PRESSAVG: 1412000 -33.5354 0.317638 36.5319 0.317594 8.32509 1.9055 36.5319 1.90555 19.5767 GPRESSAVG: 1412000 -32.9588 2.68975 34.6307 0.461121 7.52692 0.14582 39.2083 2.15854 20.1242 TIMING: 1412000 CPU: 4101.38, 0.00289311/step Wall: 4101.38, 0.00289311/step, 2.88347 hours remaining, 206.441406 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: 1412000 708.6520 2132.0963 1936.2043 121.0779 -206084.2676 17938.6210 0.0000 0.0000 34265.4087 -148982.2074 299.2483 -183247.6161 -148884.6625 299.1751 114.3629 144.7305 558850.7189 -1.8779 -1.7692 PRESSURE: 1412200 -200.81 104.048 -118.054 104.046 -183.373 55.1561 -118.054 55.1569 68.943 GPRESSURE: 1412200 -223.867 91.65 -104.714 52.8788 -132.456 103.568 -109.923 14.4554 138.584 PRESSAVG: 1412200 18.6779 -27.7571 -0.152173 -27.757 42.8629 17.6656 -0.152041 17.6658 -28.9842 GPRESSAVG: 1412200 17.9497 -29.5545 -0.116145 -27.6431 44.1294 18.1451 -0.467305 17.1506 -29.3648 TIMING: 1412200 CPU: 4101.96, 0.00288677/step Wall: 4101.96, 0.00288677/step, 2.87699 hours remaining, 206.441406 MB of memory in use. ENERGY: 1412200 749.9930 2014.0306 1946.8854 101.7226 -205561.1003 17574.2030 0.0000 0.0000 34182.5090 -148991.7567 298.5244 -183174.2657 -148895.0227 299.6867 -105.0800 -72.5795 559891.2127 10.8522 10.9048 LDB: ============= START OF LOAD BALANCING ============== 4105.42 LDB: ============== END OF LOAD BALANCING =============== 4105.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4105.42 LDB: ============= START OF LOAD BALANCING ============== 4105.71 LDB: Largest compute 4821 load 0.029260 is 24.9% of average load 0.117631 LDB: Average compute 0.001731 is 1.5% of average load 0.117631 LDB: TIME 4105.72 LOAD: AVG 0.117631 MAX 0.17786 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.695 MB LDB: TIME 4105.72 LOAD: AVG 0.117631 MAX 0.17786 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: TIME 4105.72 LOAD: AVG 0.117631 MAX 0.17786 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4105.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4105.72 PRESSURE: 1412400 -118.139 -32.0102 97.1292 -32.0103 -149.287 -68.9968 97.1297 -68.9986 81.5867 GPRESSURE: 1412400 -108.294 -35.4243 43.7946 29.1565 -76.9145 12.2635 95.6018 -122.403 95.8589 PRESSAVG: 1412400 20.7143 33.4703 -20.4935 33.4702 2.87829 -34.373 -20.4936 -34.3729 -45.0393 GPRESSAVG: 1412400 20.5357 32.9738 -18.485 33.9727 2.99095 -35.8007 -21.1286 -34.4438 -45.0303 TIMING: 1412400 CPU: 4102.55, 0.00296505/step Wall: 4102.55, 0.00296505/step, 2.95484 hours remaining, 205.968750 MB of memory in use. ENERGY: 1412400 738.1043 2084.9364 1967.2802 121.7942 -205668.5926 17516.7396 0.0000 0.0000 34440.4690 -148799.2690 300.7772 -183239.7380 -148702.8496 299.9810 -61.9465 -29.7831 557880.9743 -7.1489 -7.1679 PRESSURE: 1412600 -27.2882 151.666 -46.2058 151.668 70.0148 50.4727 -46.2065 50.4737 -371.999 GPRESSURE: 1412600 -41.272 178.742 -120.604 55.7669 55.0087 62.8211 -39.4576 77.019 -247.288 PRESSAVG: 1412600 -60.5751 58.3812 13.0579 58.3811 4.41813 4.40199 13.0579 4.402 36.9516 GPRESSAVG: 1412600 -60.267 57.0425 12.0155 58.2798 4.30769 3.86019 14.6592 5.38719 36.9538 TIMING: 1412600 CPU: 4103.13, 0.00289855/step Wall: 4103.13, 0.00289855/step, 2.8884 hours remaining, 206.332031 MB of memory in use. ENERGY: 1412600 738.6450 2027.8813 1988.3231 132.5449 -205933.1183 17710.5798 0.0000 0.0000 34469.1610 -148865.9833 301.0278 -183335.1443 -148773.7691 299.9950 -109.7574 -77.8503 558855.8885 -6.4018 -6.3352 PRESSURE: 1412800 2.3387 27.8688 -83.1998 27.8699 159.743 52.3052 -83.2007 52.3057 82.6089 GPRESSURE: 1412800 108.374 -11.2504 -98.0843 41.8618 119.159 67.6835 -25.1616 28.9619 116.095 PRESSAVG: 1412800 8.18483 0.395419 -38.211 0.395491 -31.9377 -20.7563 -38.211 -20.7564 -28.0881 GPRESSAVG: 1412800 9.48145 2.34642 -38.8973 0.600079 -32.6898 -19.8009 -38.6853 -19.4224 -28.4802 TIMING: 1412800 CPU: 4103.71, 0.00289548/step Wall: 4103.71, 0.00289548/step, 2.88518 hours remaining, 206.332031 MB of memory in use. ENERGY: 1412800 734.9424 2054.6730 1955.8163 114.9500 -206271.0641 17828.8640 0.0000 0.0000 34437.4515 -149144.3668 300.7508 -183581.8183 -149047.7572 300.0048 81.5636 114.5423 557402.5443 -17.2803 -17.2295 PRESSURE: 1413000 62.299 123.453 -17.0842 123.453 32.5802 -99.2473 -17.0845 -99.2479 157.097 GPRESSURE: 1413000 65.2464 101.248 56.7263 146.314 118.031 -198.002 -72.6994 -101.326 165.611 PRESSAVG: 1413000 -14.1198 31.9568 -23.2413 31.9568 -0.634691 -44.0794 -23.2412 -44.0794 48.2534 GPRESSAVG: 1413000 -15.7489 32.6604 -22.9706 31.1506 0.559287 -45.9928 -25.8602 -44.814 48.0797 TIMING: 1413000 CPU: 4104.29, 0.00290311/step Wall: 4104.29, 0.00290311/step, 2.89263 hours remaining, 206.332031 MB of memory in use. ENERGY: 1413000 764.4239 2093.5818 1934.7699 115.6916 -206152.3424 18046.0117 0.0000 0.0000 34130.3339 -149067.5295 298.0687 -183197.8634 -148972.3703 299.4684 83.9922 116.2963 558808.9752 11.1663 10.9634 PRESSURE: 1413200 -108.804 48.4324 -36.9784 48.4314 -229.493 36.9245 -36.9764 36.9238 25.2822 GPRESSURE: 1413200 -68.3279 39.5792 -42.8749 -33.5244 -150.559 62.7 4.27668 93.1973 5.67317 PRESSAVG: 1413200 -33.2784 16.7533 56.2073 16.7535 -17.4461 2.85789 56.2072 2.85786 7.0952 GPRESSAVG: 1413200 -32.6207 15.274 57.3689 18.0171 -17.1758 5.28546 57.8533 2.78943 6.05864 TIMING: 1413200 CPU: 4104.88, 0.00293911/step Wall: 4104.88, 0.00293911/step, 2.92834 hours remaining, 206.332031 MB of memory in use. ENERGY: 1413200 801.3328 2098.9484 1966.9887 116.2807 -205920.1835 17788.7732 0.0000 0.0000 34119.0663 -149028.7935 297.9703 -183147.8597 -148938.2981 299.8835 -104.3383 -71.0711 558461.3229 -14.5431 -14.5793 PRESSURE: 1413400 -307.177 25.5025 47.7132 25.5022 -187.567 81.7914 47.7131 81.7929 -79.8446 GPRESSURE: 1413400 -226.471 -51.1736 -33.624 11.6697 -199.927 84.759 84.3795 71.4243 -42.4282 PRESSAVG: 1413400 -19.2714 19.6569 4.04103 19.6569 -18.4837 -17.8305 4.04116 -17.8305 96.3688 GPRESSAVG: 1413400 -18.5197 21.7795 1.43277 18.9034 -19.5254 -17.9084 4.93869 -18.0443 96.3954 TIMING: 1413400 CPU: 4105.46, 0.00289942/step Wall: 4105.46, 0.00289942/step, 2.88863 hours remaining, 206.332031 MB of memory in use. ENERGY: 1413400 731.3580 2136.1536 1957.7766 122.0477 -205904.8620 17607.7548 0.0000 0.0000 34207.7557 -149142.0158 298.7448 -183349.7714 -149037.6804 299.5182 -191.5296 -156.2753 557933.8607 19.5379 19.4501 PRESSURE: 1413600 44.4691 157.882 154.413 157.882 -281.472 -25.4667 154.414 -25.4656 -168.04 GPRESSURE: 1413600 62.5516 176.616 155.537 102.264 -231.949 -41.0839 120.833 22.2391 -136.305 PRESSAVG: 1413600 32.924 -12.9828 -9.7375 -12.9829 -59.9375 1.5086 -9.73748 1.50861 21.3045 GPRESSAVG: 1413600 33.2074 -16.258 -7.9258 -11.0658 -59.7333 2.59398 -10.454 0.1901 21.2509 TIMING: 1413600 CPU: 4106.04, 0.00291014/step Wall: 4106.04, 0.00291014/step, 2.89915 hours remaining, 206.332031 MB of memory in use. ENERGY: 1413600 756.9769 2116.5556 1974.3334 106.8593 -206136.7903 17824.6111 0.0000 0.0000 34220.8456 -149136.6084 298.8592 -183357.4540 -149042.7117 299.2663 -135.0142 -101.9009 559455.8373 -1.9030 -1.7583 PRESSURE: 1413800 150.126 -77.6187 39.3761 -77.6196 38.6657 22.0806 39.3763 22.0809 135.945 GPRESSURE: 1413800 189.758 -125.717 183.78 -200.988 68.3505 49.6202 -39.7323 -38.5056 154.558 PRESSAVG: 1413800 27.1374 13.0509 95.6502 13.0509 -90.9451 -34.6818 95.6502 -34.682 42.2813 GPRESSAVG: 1413800 26.4246 14.961 95.2266 11.8991 -91.6526 -36.976 93.8213 -33.5553 43.5542 TIMING: 1413800 CPU: 4106.61, 0.00288153/step Wall: 4106.61, 0.00288153/step, 2.87049 hours remaining, 206.332031 MB of memory in use. ENERGY: 1413800 766.4506 2133.2898 1956.5818 102.8031 -206282.3235 18040.7170 0.0000 0.0000 34194.7709 -149087.7104 298.6314 -183282.4812 -148996.0826 299.2444 108.2456 137.5553 558277.2341 -7.1755 -7.2246 PRESSURE: 1414000 125.87 96.8961 -108.612 96.8956 -114.478 25.3778 -108.613 25.3783 170.835 GPRESSURE: 1414000 127.687 94.2017 -151.53 145.493 -93.1756 47.3879 -110.095 64.5884 238.325 PRESSAVG: 1414000 2.3564 48.3901 67.6963 48.3902 -43.4316 -12.3221 67.6962 -12.322 46.9069 GPRESSAVG: 1414000 1.46133 48.2708 68.139 47.105 -43.0973 -10.3635 68.6954 -11.2089 47.317 TIMING: 1414000 CPU: 4107.19, 0.00289405/step Wall: 4107.19, 0.00289405/step, 2.88279 hours remaining, 206.332031 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: 1414000 767.2487 2126.7496 1948.4364 114.1671 -206172.9662 17860.7121 0.0000 0.0000 34200.0099 -149155.6424 298.6772 -183355.6523 -149066.5566 299.7494 60.7422 90.9454 557038.0295 1.9439 1.8937 PRESSURE: 1414200 -185.254 64.104 14.3512 64.1067 278.4 152.029 14.3512 152.028 -28.8907 GPRESSURE: 1414200 -100.437 69.5691 -21.4232 -2.59761 279.625 202.513 79.1089 128.585 -5.70484 PRESSAVG: 1414200 21.4151 42.8368 -11.0024 42.8368 -33.7035 33.5624 -11.0024 33.5624 26.8996 GPRESSAVG: 1414200 21.3906 42.0353 -10.0502 44.5678 -32.6775 34.1811 -10.6544 31.5687 25.9826 TIMING: 1414200 CPU: 4107.77, 0.00289311/step Wall: 4107.77, 0.00289311/step, 2.8817 hours remaining, 206.332031 MB of memory in use. ENERGY: 1414200 702.9203 2097.3039 1947.2665 112.1541 -205812.3724 17718.7955 0.0000 0.0000 34234.0870 -148999.8451 298.9748 -183233.9321 -148905.7926 298.9562 21.4182 57.8276 557813.4019 4.8704 4.8986 PRESSURE: 1414400 115.794 -116.442 21.8024 -116.441 179.623 -132.814 21.802 -132.813 -21.8072 GPRESSURE: 1414400 148.977 -59.4397 39.1513 -249.836 238.834 -92.7278 34.095 -140.615 -24.0118 PRESSAVG: 1414400 69.6928 24.2464 -41.5094 24.2464 -69.9783 20.9443 -41.5093 20.9444 -17.8174 GPRESSAVG: 1414400 69.1408 24.8694 -43.5466 22.6453 -70.9681 20.6258 -41.1351 21.8967 -16.0176 TIMING: 1414400 CPU: 4108.35, 0.0028763/step Wall: 4108.35, 0.0028763/step, 2.86479 hours remaining, 206.332031 MB of memory in use. ENERGY: 1414400 730.2950 2109.0596 1961.6976 110.9067 -205903.5154 17762.2455 0.0000 0.0000 34310.1785 -148919.1326 299.6393 -183229.3111 -148827.3848 299.2285 91.2034 121.2663 558289.6720 -6.0343 -5.9483 PRESSURE: 1414600 -222.416 -94.8129 41.1462 -94.8129 -137.957 27.6541 41.1453 27.6534 -241.114 GPRESSURE: 1414600 -208.321 27.3367 -50.212 -149.559 -140.391 -50.8906 68.0262 84.0743 -172.748 PRESSAVG: 1414600 30.389 0.915047 16.0177 0.915077 -65.7276 -67.0794 16.0177 -67.0795 40.9035 GPRESSAVG: 1414600 32.6736 0.489772 15.9082 1.85347 -65.7464 -69.0806 16.9996 -66.8651 38.6457 TIMING: 1414600 CPU: 4108.93, 0.00290281/step Wall: 4108.93, 0.00290281/step, 2.89104 hours remaining, 206.332031 MB of memory in use. ENERGY: 1414600 771.8871 2098.6685 1931.6792 121.5697 -205669.6354 17494.5459 0.0000 0.0000 34505.9955 -148745.2896 301.3494 -183251.2851 -148648.9999 300.4729 -200.4957 -173.8199 558829.7140 1.8550 1.8576 PRESSURE: 1414800 32.714 -33.3228 25.5553 -33.3245 -47.8619 25.7807 25.5551 25.7803 -73.9102 GPRESSURE: 1414800 18.8718 -32.3787 89.3106 17.1276 -8.7466 48.7624 -17.5803 9.0586 9.33428 PRESSAVG: 1414800 34.4925 23.4287 -17.4824 23.4288 -20.4023 -43.7238 -17.4824 -43.7238 -31.9912 GPRESSAVG: 1414800 33.8283 25.3489 -16.7064 21.3517 -20.2572 -41.533 -18.2733 -45.2937 -31.0223 TIMING: 1414800 CPU: 4109.5, 0.00288636/step Wall: 4109.5, 0.00288636/step, 2.87449 hours remaining, 206.332031 MB of memory in use. ENERGY: 1414800 748.8264 2125.6068 1940.0980 116.9768 -205744.0516 17687.1889 0.0000 0.0000 34228.7778 -148896.5768 298.9284 -183125.3547 -148801.9747 300.1804 -29.6861 6.4865 559883.8077 -5.9670 -5.8171 PRESSURE: 1415000 -26.3412 -96.017 25.2795 -96.016 -121.21 79.7945 25.2785 79.7952 -186.3 GPRESSURE: 1415000 92.2147 -170.839 0.298307 -26.9382 -162.552 61.1759 74.4945 65.7048 -173.644 PRESSAVG: 1415000 37.2009 26.7647 31.1142 26.7647 10.4079 14.7465 31.1143 14.7466 -54.5875 GPRESSAVG: 1415000 36.234 25.2294 29.4051 26.3344 10.7427 12.7941 33.5943 15.9105 -53.627 TIMING: 1415000 CPU: 4110.09, 0.00291494/step Wall: 4110.09, 0.00291494/step, 2.9028 hours remaining, 206.332031 MB of memory in use. ENERGY: 1415000 734.2243 2087.8469 1965.5952 113.8171 -205628.4569 17620.8827 0.0000 0.0000 34285.2737 -148820.8171 299.4218 -183106.0908 -148731.1569 299.7076 -111.2836 -81.3272 559427.9619 -2.3262 -2.2167 PRESSURE: 1415200 -6.69368 92.2929 -6.30759 92.2924 159.651 75.444 -6.30903 75.4438 12.9309 GPRESSURE: 1415200 51.0285 93.0498 31.1253 130.217 183.846 110.884 -14.8966 26.8786 34.5916 PRESSAVG: 1415200 -28.1575 17.7745 -36.3862 17.7745 8.86473 35.7652 -36.3864 35.7653 48.2126 GPRESSAVG: 1415200 -25.2874 20.2312 -34.3008 18.0024 8.75196 36.8222 -37.8067 34.9302 45.1093 TIMING: 1415200 CPU: 4110.67, 0.00289849/step Wall: 4110.67, 0.00289849/step, 2.88625 hours remaining, 206.332031 MB of memory in use. ENERGY: 1415200 757.7313 2154.4729 1915.6458 124.3396 -206066.6468 17833.1731 0.0000 0.0000 34214.5314 -149066.7526 298.8040 -183281.2840 -148975.8673 299.9480 55.2960 89.8219 557356.9863 9.6399 9.5246 PRESSURE: 1415400 -172.982 120.141 -30.8416 120.141 62.8549 79.3948 -30.8412 79.3934 -143.858 GPRESSURE: 1415400 -150.62 51.5673 -67.5415 127.256 82.9677 104.751 -52.3745 52.6934 -99.1825 PRESSAVG: 1415400 16.1195 18.5326 0.587563 18.5326 26.0363 93.5784 0.587601 93.5784 -57.4608 GPRESSAVG: 1415400 14.6593 15.2354 1.92105 19.6 25.8913 93.0855 -0.733649 93.9375 -56.0525 TIMING: 1415400 CPU: 4111.25, 0.00289194/step Wall: 4111.25, 0.00289194/step, 2.87956 hours remaining, 206.332031 MB of memory in use. ENERGY: 1415400 776.2552 2081.2197 1926.0619 102.7389 -205947.5808 17557.0073 0.0000 0.0000 34170.3377 -149333.9601 298.4181 -183504.2978 -149231.7747 299.2302 -84.6616 -55.6115 558156.5187 -5.1017 -5.1673 PRESSURE: 1415600 -6.56258 -199.919 -117.85 -199.92 -198.398 -10.0101 -117.852 -10.0098 -164.992 GPRESSURE: 1415600 46.0623 -108.59 -99.5818 -168.802 -114.287 4.33537 -117.487 -39.0753 -216.177 PRESSAVG: 1415600 -20.2071 14.5456 -20.4277 14.5456 25.1323 -0.455942 -20.4276 -0.455958 -19.9997 GPRESSAVG: 1415600 -21.067 14.0655 -22.9936 15.6563 25.1691 -1.9436 -20.1447 2.06803 -19.3117 TIMING: 1415600 CPU: 4111.82, 0.00288257/step Wall: 4111.82, 0.00288257/step, 2.87008 hours remaining, 206.332031 MB of memory in use. ENERGY: 1415600 739.3819 2060.5331 1928.4534 110.8095 -206412.7005 17766.8623 0.0000 0.0000 34414.4529 -149392.2074 300.5500 -183806.6603 -149298.7546 297.8832 -123.3175 -94.8007 557244.5028 -5.0248 -5.0699 PRESSURE: 1415800 -26.0286 42.896 8.13058 42.8965 -134.582 -63.8661 8.12927 -63.8661 -362.547 GPRESSURE: 1415800 -6.58373 -13.2846 -54.3278 87.3019 -63.9647 0.896364 25.4523 -76.7908 -362.319 PRESSAVG: 1415800 27.5111 -4.0643 -24.2722 -4.06435 81.5142 -65.5425 -24.2723 -65.5426 -44.8989 GPRESSAVG: 1415800 28.6849 -3.31017 -23.4003 -6.61125 81.3253 -63.0062 -24.5186 -69.051 -46.2616 TIMING: 1415800 CPU: 4112.4, 0.00291162/step Wall: 4112.4, 0.00291162/step, 2.89884 hours remaining, 206.332031 MB of memory in use. ENERGY: 1415800 752.7320 2043.1843 1964.2068 102.5061 -206171.6667 17547.7859 0.0000 0.0000 34207.4446 -149553.8072 298.7421 -183761.2517 -149452.5277 298.7364 -174.3861 -144.2893 556446.4713 21.3755 21.2496 PRESSURE: 1416000 -84.6643 61.0895 73.6139 61.0897 -111.667 10.9005 73.6143 10.9007 163.116 GPRESSURE: 1416000 -50.8928 -8.23363 133.84 75.527 -27.9642 51.8851 109.18 -68.7671 137.574 PRESSAVG: 1416000 15.6385 23.2457 -38.2227 23.2457 55.6841 -98.1888 -38.2228 -98.1888 -69.9997 GPRESSAVG: 1416000 14.9502 23.4686 -35.9047 24.7775 56.7816 -100.037 -37.8459 -96.2032 -69.8127 TIMING: 1416000 CPU: 4112.99, 0.00292712/step Wall: 4112.99, 0.00292712/step, 2.91411 hours remaining, 206.332031 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: 1416000 739.9009 2058.6925 1954.2105 98.2514 -206409.8216 17728.0735 0.0000 0.0000 34362.6829 -149468.0099 300.0979 -183830.6927 -149366.8513 299.0757 -11.0719 19.5725 556484.5803 0.4410 0.6397 PRESSURE: 1416200 12.9223 -112.788 77.8422 -112.788 306.476 -90.1739 77.8431 -90.1745 234.007 GPRESSURE: 1416200 89.0689 -18.7616 127.588 -182.504 321.165 -53.2046 15.2157 -45.5247 237.03 PRESSAVG: 1416200 -8.91958 52.8401 -7.7904 52.8401 38.8033 -17.5974 -7.79049 -17.5975 -30.9522 GPRESSAVG: 1416200 -7.57716 53.5677 -8.56153 51.8651 36.8618 -15.1128 -8.25633 -17.3493 -30.18 TIMING: 1416200 CPU: 4113.57, 0.00291739/step Wall: 4113.57, 0.00291739/step, 2.90426 hours remaining, 206.332031 MB of memory in use. ENERGY: 1416200 717.5336 2054.3734 1968.0236 116.6686 -206797.8017 18139.7638 0.0000 0.0000 33995.2188 -149806.2199 296.8887 -183801.4387 -149717.1426 298.8968 184.4684 215.7547 555037.2558 -0.3562 -0.2985 LDB: ============= START OF LOAD BALANCING ============== 4117.04 LDB: ============== END OF LOAD BALANCING =============== 4117.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4117.04 LDB: ============= START OF LOAD BALANCING ============== 4117.33 LDB: Largest compute 4821 load 0.029945 is 25.4% of average load 0.117688 LDB: Average compute 0.001730 is 1.5% of average load 0.117688 LDB: TIME 4117.34 LOAD: AVG 0.117688 MAX 0.177194 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.402 MB LDB: TIME 4117.34 LOAD: AVG 0.117688 MAX 0.177195 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.477 MB LDB: TIME 4117.34 LOAD: AVG 0.117688 MAX 0.177195 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4117.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4117.34 PRESSURE: 1416400 -194.772 -83.1537 114.872 -83.1546 -260.619 145.011 114.873 145.011 -47.412 GPRESSURE: 1416400 -208.37 -77.9374 82.0605 -106.237 -187.716 154.64 48.6172 126.785 -13.5626 PRESSAVG: 1416400 -36.3043 41.3919 30.1383 41.3918 -46.4215 10.5126 30.1382 10.5128 47.6627 GPRESSAVG: 1416400 -36.2579 43.1936 31.0968 41.4449 -45.0166 8.01886 29.959 9.85156 46.1017 TIMING: 1416400 CPU: 4114.17, 0.00296503/step Wall: 4114.17, 0.00296503/step, 2.95152 hours remaining, 208.714844 MB of memory in use. ENERGY: 1416400 788.9653 2090.8576 1973.3239 113.2984 -206379.7689 17612.6588 0.0000 0.0000 34181.2517 -149619.4132 298.5134 -183800.6649 -149522.0051 298.3033 -167.6010 -136.5495 555324.1127 -11.6877 -11.7243 PRESSURE: 1416600 31.5422 135.728 -28.6261 135.73 138.154 -18.7131 -28.6269 -18.7143 328.835 GPRESSURE: 1416600 134.63 71.0319 -6.10776 216.69 133.947 18.9781 -85.0394 -81.8074 338.955 PRESSAVG: 1416600 33.8476 18.9339 26.7991 18.9339 -22.399 2.65399 26.7992 2.65393 45.4862 GPRESSAVG: 1416600 33.2572 16.5698 25.1862 18.2984 -23.3703 1.51885 28.3732 3.76723 46.5566 TIMING: 1416600 CPU: 4114.75, 0.0029193/step Wall: 4114.75, 0.0029193/step, 2.90584 hours remaining, 208.984375 MB of memory in use. ENERGY: 1416600 755.6473 2084.8106 1974.5213 98.9132 -206663.7913 17969.6803 0.0000 0.0000 34199.0256 -149581.1931 298.6686 -183780.2186 -149487.1338 298.7221 166.1771 202.5107 554328.3102 18.9783 18.8145 PRESSURE: 1416800 -226.92 112.703 227.351 112.704 -112.091 186.035 227.351 186.034 -55.0548 GPRESSURE: 1416800 -223.674 169.312 161.469 -62.7666 -91.7175 149.84 191.086 238.21 15.8337 PRESSAVG: 1416800 2.56577 -41.1213 16.1939 -41.1213 22.1876 11.1874 16.1939 11.1874 7.14187 GPRESSAVG: 1416800 2.89124 -39.4191 16.2509 -41.4796 23.5732 13.0341 16.8305 10.7732 5.98325 TIMING: 1416800 CPU: 4115.33, 0.00292108/step Wall: 4115.33, 0.00292108/step, 2.90745 hours remaining, 208.984375 MB of memory in use. ENERGY: 1416800 749.9828 2100.2191 1944.8094 106.0011 -206342.9754 17723.7039 0.0000 0.0000 34105.2404 -149613.0188 297.8495 -183718.2591 -149516.3822 298.7697 -131.3552 -99.8525 557586.8852 10.6317 10.8159 PRESSURE: 1417000 -14.9124 -29.6319 165.485 -29.6318 239.072 -103.301 165.486 -103.302 38.1066 GPRESSURE: 1417000 -16.3341 15.7519 89.647 -53.7605 290.239 -118.888 185.929 -81.117 91.5361 PRESSAVG: 1417000 -43.3138 28.8148 25.9855 28.8146 -11.6297 13.8552 25.9853 13.8553 2.3205 GPRESSAVG: 1417000 -43.0502 29.1465 27.5186 29.4533 -11.5619 13.6338 23.9521 14.2769 2.75601 TIMING: 1417000 CPU: 4115.92, 0.00291694/step Wall: 4115.92, 0.00291694/step, 2.90317 hours remaining, 209.132812 MB of memory in use. ENERGY: 1417000 747.5192 2073.6080 1964.1221 115.0921 -206739.0952 18098.3223 0.0000 0.0000 34072.2359 -149668.1956 297.5613 -183740.4315 -149575.9343 298.1540 87.4220 121.8137 557708.7440 -17.5410 -17.2854 PRESSURE: 1417200 -228.093 193.134 -68.1175 193.133 -237.582 -1.5413 -68.1175 -1.54042 10.5012 GPRESSURE: 1417200 -184.665 165.934 26.4273 265.484 -198.34 29.1992 -94.6346 75.8008 21.112 PRESSAVG: 1417200 -19.8291 27.4872 46.1756 27.4873 18.539 -42.0568 46.1756 -42.0568 46.9587 GPRESSAVG: 1417200 -21.0337 26.6932 44.7508 27.4442 19.2404 -41.2875 47.7116 -43.7011 47.4266 TIMING: 1417200 CPU: 4116.5, 0.00288762/step Wall: 4116.5, 0.00288762/step, 2.87382 hours remaining, 209.132812 MB of memory in use. ENERGY: 1417200 734.9205 2164.5814 1969.8491 111.6586 -206355.5505 17651.5043 0.0000 0.0000 33969.3552 -149753.6815 296.6628 -183723.0367 -149655.4443 297.8055 -151.7245 -120.6308 557636.2617 15.2229 15.2111 PRESSURE: 1417400 -318.601 78.6686 107.857 78.6677 35.3985 17.3386 107.857 17.3386 -146.102 GPRESSURE: 1417400 -325.965 0.836283 164.347 97.7852 109.202 -19.0313 101.015 99.6057 -109.206 PRESSAVG: 1417400 -8.15493 -42.2974 -14.9605 -42.2974 32.8526 -16.0483 -14.9605 -16.0483 12.549 GPRESSAVG: 1417400 -6.97617 -43.7214 -16.8247 -41.6768 31.4301 -17.0349 -14.0345 -15.1024 12.6303 TIMING: 1417400 CPU: 4117.07, 0.0028872/step Wall: 4117.07, 0.0028872/step, 2.87324 hours remaining, 209.132812 MB of memory in use. ENERGY: 1417400 744.6044 2085.2320 1983.0741 116.7214 -206536.6133 17679.5906 0.0000 0.0000 34253.2355 -149674.1553 299.1420 -183927.3908 -149582.1160 298.6509 -143.1016 -108.6566 557386.7321 12.4155 12.3614 PRESSURE: 1417600 50.1749 -43.0898 101.978 -43.0904 -128.237 69.1139 101.978 69.1137 -119.69 GPRESSURE: 1417600 87.8367 -49.5996 127.444 -77.068 -163.319 54.3714 59.3709 28.615 -25.9565 PRESSAVG: 1417600 13.8118 -11.3479 -18.6564 -11.3478 13.5004 6.93945 -18.6563 6.93947 -42.3388 GPRESSAVG: 1417600 14.6905 -10.2619 -17.7381 -13.1182 13.1137 7.71546 -19.6169 6.17672 -42.8173 TIMING: 1417600 CPU: 4117.65, 0.00289645/step Wall: 4117.65, 0.00289645/step, 2.88229 hours remaining, 209.132812 MB of memory in use. ENERGY: 1417600 789.1475 2095.0648 1967.9500 124.8218 -206458.2215 17847.1185 0.0000 0.0000 34209.6433 -149424.4757 298.7613 -183634.1190 -149327.5927 298.2626 -65.9173 -33.8129 557784.0135 -5.0089 -5.0044 PRESSURE: 1417800 -69.2905 -127.316 94.9515 -127.316 -9.92083 84.7024 94.9533 84.7004 -69.2336 GPRESSURE: 1417800 -60.2959 -76.4879 86.0433 -94.4415 21.8463 47.9174 97.0667 97.4937 -20.931 PRESSAVG: 1417800 -49.8583 -50.2692 12.8221 -50.2692 16.0929 68.0235 12.8222 68.0235 26.0826 GPRESSAVG: 1417800 -50.8595 -50.1499 14.74 -47.7192 17.2769 65.4437 10.0928 69.2748 26.3251 TIMING: 1417800 CPU: 4118.23, 0.00288456/step Wall: 4118.23, 0.00288456/step, 2.8703 hours remaining, 209.132812 MB of memory in use. ENERGY: 1417800 744.2841 2042.4084 1965.2538 117.8774 -206272.7237 17809.2680 0.0000 0.0000 34227.3086 -149366.3234 298.9156 -183593.6320 -149270.2965 299.3239 -49.4816 -19.7936 556631.1858 -2.5609 -2.4192 PRESSURE: 1418000 -305.398 -1.4147 1.02726 -1.41513 -352.235 160.669 1.02702 160.669 -256.141 GPRESSURE: 1418000 -285.98 -30.8957 -3.52731 50.4898 -289.662 86.9096 65.134 144.69 -259.356 PRESSAVG: 1418000 -29.5171 -46.2469 21.5874 -46.2468 -12.7078 5.43045 21.5873 5.43046 9.57717 GPRESSAVG: 1418000 -30.139 -45.5412 19.0885 -46.5324 -11.8668 6.81231 24.6597 6.09667 8.97019 TIMING: 1418000 CPU: 4118.8, 0.00287308/step Wall: 4118.8, 0.00287308/step, 2.85872 hours remaining, 209.132812 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: 1418000 768.5646 2090.8178 1953.6690 118.2875 -205962.7386 17444.4848 0.0000 0.0000 34208.8009 -149378.1140 298.7540 -183586.9149 -149277.8456 299.2329 -304.5912 -278.3329 557327.3830 -10.8826 -11.0119 PRESSURE: 1418200 61.1282 69.8353 -169.598 69.835 82.8765 81.1597 -169.598 81.1585 30.9411 GPRESSURE: 1418200 92.6613 46.0407 -92.3357 75.3883 98.5051 108.338 -170.574 70.2555 77.6851 PRESSAVG: 1418200 -23.2404 -24.9942 -0.423302 -24.9943 16.9198 44.6314 -0.42331 44.6314 24.579 GPRESSAVG: 1418200 -22.3474 -26.7026 0.939243 -24.1675 14.1551 44.6717 -1.20234 45.5115 26.3101 TIMING: 1418200 CPU: 4119.38, 0.00288837/step Wall: 4119.38, 0.00288837/step, 2.87377 hours remaining, 209.132812 MB of memory in use. ENERGY: 1418200 734.4294 2100.2781 2002.2467 106.5973 -206615.2736 18040.2266 0.0000 0.0000 34368.4911 -149263.0045 300.1486 -183631.4956 -149169.5720 299.2769 58.3153 89.6172 556552.8248 6.0861 6.0392 PRESSURE: 1418400 -15.736 -28.0829 -221.684 -28.0835 -238.492 -38.8496 -221.685 -38.85 -71.0871 GPRESSURE: 1418400 9.99413 -41.9546 -210.273 43.8702 -215.023 21.7191 -223.94 -118.21 -35.1703 PRESSAVG: 1418400 28.5139 2.37661 -21.046 2.37644 33.3259 -2.48976 -21.0461 -2.48977 -12.5316 GPRESSAVG: 1418400 27.2451 4.86337 -22.3099 0.782462 35.183 -1.72125 -21.4567 -3.50339 -13.0684 TIMING: 1418400 CPU: 4119.96, 0.00291198/step Wall: 4119.96, 0.00291198/step, 2.89709 hours remaining, 209.132812 MB of memory in use. ENERGY: 1418400 733.1933 2138.9604 1991.8051 124.5317 -206030.1800 17583.5495 0.0000 0.0000 34218.1499 -149239.9901 298.8356 -183458.1400 -149146.2142 299.6787 -108.4384 -80.0664 556623.5614 16.4361 16.4532 PRESSURE: 1418600 -88.5145 -133.189 -8.56254 -133.19 1.12587 -57.3299 -8.56244 -57.3303 120.907 GPRESSURE: 1418600 -78.2363 -193.18 -4.24398 -93.4996 107.695 -12.717 23.6244 -72.866 92.1088 PRESSAVG: 1418600 -23.0578 -16.0582 -3.10649 -16.0582 -63.3786 -61.0533 -3.10649 -61.0533 71.7743 GPRESSAVG: 1418600 -22.5137 -17.1958 -4.13881 -15.7053 -64.1317 -60.0505 -2.58739 -63.74 71.9495 TIMING: 1418600 CPU: 4120.54, 0.00290166/step Wall: 4120.54, 0.00290166/step, 2.88666 hours remaining, 209.132812 MB of memory in use. ENERGY: 1418600 748.2257 2112.2309 1971.3330 108.3136 -206542.3621 18009.0921 0.0000 0.0000 34340.5398 -149252.6269 299.9045 -183593.1667 -149154.7529 299.0066 11.1730 40.5224 556860.0694 -4.8874 -4.8986 PRESSURE: 1418800 -137.192 96.4643 96.516 96.4661 -225.7 48.5281 96.5169 48.5274 -198.189 GPRESSURE: 1418800 -123.667 13.4477 115.228 127.105 -200.964 33.6117 111.228 -12.5009 -142.046 PRESSAVG: 1418800 -96.4469 -1.25893 -18.4009 -1.25888 17.1173 -43.947 -18.4009 -43.947 25.2666 GPRESSAVG: 1418800 -94.8273 -1.38043 -17.2491 -0.581858 17.6001 -45.969 -18.6874 -42.7711 23.3235 TIMING: 1418800 CPU: 4121.12, 0.0028862/step Wall: 4121.12, 0.0028862/step, 2.87113 hours remaining, 209.132812 MB of memory in use. ENERGY: 1418800 768.2191 2093.5098 1961.9694 123.4500 -206179.6791 17624.4477 0.0000 0.0000 34222.0101 -149386.0730 298.8693 -183608.0831 -149294.7362 298.5129 -187.0269 -155.5590 557948.4124 -18.0210 -17.9679 PRESSURE: 1419000 -42.112 -117.424 166.353 -117.424 146.484 -70.2777 166.352 -70.2764 147.924 GPRESSURE: 1419000 37.6375 -90.6431 152.45 -145.335 146.497 -26.3556 113.394 -149.519 159.927 PRESSAVG: 1419000 4.44915 -26.7237 -27.2896 -26.7236 57.4285 -2.03979 -27.2896 -2.03973 -12.8119 GPRESSAVG: 1419000 3.65354 -25.1376 -27.56 -28.6079 57.2311 -1.70464 -27.5929 -1.60355 -11.1956 TIMING: 1419000 CPU: 4121.7, 0.00290241/step Wall: 4121.7, 0.00290241/step, 2.88709 hours remaining, 209.132812 MB of memory in use. ENERGY: 1419000 735.4662 2135.6623 1963.5123 117.4768 -206651.1152 18041.7302 0.0000 0.0000 34257.8293 -149399.4381 299.1821 -183657.2674 -149304.1360 298.2338 84.0987 114.6872 555300.4175 16.3552 16.5630 PRESSURE: 1419200 116.534 148.467 -79.0869 148.467 -60.4644 -11.4217 -79.0872 -11.4203 -122.416 GPRESSURE: 1419200 134.215 139.75 -118.378 169.645 3.87802 -53.4629 -31.5326 79.2747 -116.286 PRESSAVG: 1419200 9.78017 3.57233 -28.1659 3.57235 -13.1698 -7.03147 -28.1659 -7.03152 -20.678 GPRESSAVG: 1419200 9.72313 1.80199 -26.9214 5.142 -14.6439 -7.25651 -28.3002 -8.05431 -19.3753 TIMING: 1419200 CPU: 4122.28, 0.00290564/step Wall: 4122.28, 0.00290564/step, 2.89014 hours remaining, 209.132812 MB of memory in use. ENERGY: 1419200 752.7902 2147.5025 1942.7221 112.9650 -206430.7477 17831.8032 0.0000 0.0000 34319.5963 -149323.3682 299.7216 -183642.9646 -149224.8832 299.1572 -22.1155 7.2689 556684.2410 -8.0225 -8.0987 PRESSURE: 1419400 -22.5839 150.907 6.61245 150.908 -123.371 -95.4327 6.61323 -95.4313 -53.7628 GPRESSURE: 1419400 -23.7279 129.635 18.8529 117.266 -98.4946 -156.862 -4.13061 -122.525 17.5502 PRESSAVG: 1419400 -8.22379 90.9037 38.1779 90.9037 -3.56662 -4.18565 38.1779 -4.18559 5.35335 GPRESSAVG: 1419400 -9.37037 89.2285 38.2685 90.0598 -1.68852 -4.52678 39.3728 -3.21528 4.86078 TIMING: 1419400 CPU: 4122.87, 0.00291551/step Wall: 4122.87, 0.00291551/step, 2.8998 hours remaining, 209.132812 MB of memory in use. ENERGY: 1419400 745.7755 2093.4868 1961.5966 99.2289 -206062.4841 17715.7423 0.0000 0.0000 33962.8000 -149483.8541 296.6056 -183446.6541 -149378.1013 298.3580 -66.5726 -34.8908 557102.8363 -2.1457 -2.0660 PRESSURE: 1419600 -33.7886 -47.0667 -48.1207 -47.0662 140.355 19.9855 -48.1209 19.9869 76.4254 GPRESSURE: 1419600 -24.3553 -29.8662 -21.6495 -1.71579 218.96 24.4196 -6.14025 -27.5112 87.503 PRESSAVG: 1419600 34.9946 7.78182 20.3826 7.78168 9.54908 47.2816 20.3825 47.2818 -17.8549 GPRESSAVG: 1419600 35.9902 8.46655 19.2378 8.11057 10.0026 47.7477 20.133 47.1784 -19.4513 TIMING: 1419600 CPU: 4123.45, 0.00289818/step Wall: 4123.45, 0.00289818/step, 2.8824 hours remaining, 209.132812 MB of memory in use. ENERGY: 1419600 754.0736 2118.3016 1959.2891 104.6326 -206144.4300 17884.7441 0.0000 0.0000 34028.4296 -149294.9595 297.1787 -183323.3891 -149194.9004 298.3601 60.9973 94.0359 557405.3742 8.8963 8.8471 PRESSURE: 1419800 102.723 68.5893 -9.12078 68.5895 -227.856 -126.383 -9.12002 -126.383 13.6463 GPRESSURE: 1419800 145.387 113.237 129.475 129.265 -213.199 -127.539 -64.5789 -92.7278 42.2036 PRESSAVG: 1419800 37.1368 69.7667 -43.681 69.7667 -1.90083 -24.7674 -43.6809 -24.7676 -40.5774 GPRESSAVG: 1419800 37.705 71.3654 -42.9741 71.2231 -2.36523 -26.2595 -44.9436 -23.638 -40.8662 TIMING: 1419800 CPU: 4124.03, 0.00291285/step Wall: 4124.03, 0.00291285/step, 2.89683 hours remaining, 209.132812 MB of memory in use. ENERGY: 1419800 743.5063 2090.1524 1969.3172 120.4196 -206099.4999 17741.8224 0.0000 0.0000 34149.6875 -149284.5945 298.2377 -183434.2820 -149200.0233 298.6929 -37.1623 -8.5362 557768.8441 -1.7805 -1.8421 PRESSURE: 1420000 176.563 -25.7369 -0.704779 -25.738 267.632 31.6027 -0.705912 31.6017 138.939 GPRESSURE: 1420000 174.845 50.6352 -17.2756 20.5207 303.623 -76.6467 -72.0835 193.025 212.318 PRESSAVG: 1420000 5.10149 21.1001 -21.4049 21.1002 5.8652 -47.2388 -21.405 -47.2387 -16.6851 GPRESSAVG: 1420000 4.05776 21.3635 -20.377 18.0789 6.1091 -48.0778 -21.2879 -46.7438 -16.4357 TIMING: 1420000 CPU: 4124.61, 0.0029164/step Wall: 4124.61, 0.0029164/step, 2.9002 hours remaining, 209.132812 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: 1420000 765.1703 2098.2360 1938.5151 104.3031 -206624.7944 18112.6392 0.0000 0.0000 34358.8773 -149247.0533 300.0646 -183605.9307 -149153.6639 299.0687 194.3781 230.2621 556467.5946 -1.9061 -2.0896 PRESSURE: 1420200 154.56 87.204 -55.0556 87.2042 91.1828 -131.927 -55.0562 -131.927 -124.006 GPRESSURE: 1420200 238.139 161.688 -7.31059 23.4815 97.3288 -164.785 -19.9037 -115.021 -127.521 PRESSAVG: 1420200 28.8178 -78.9872 -22.898 -78.9872 47.1426 -30.6632 -22.898 -30.6633 -42.0765 GPRESSAVG: 1420200 29.8784 -79.4757 -24.6602 -78.1135 46.2727 -31.3392 -22.4841 -31.5378 -41.6453 TIMING: 1420200 CPU: 4125.19, 0.00290904/step Wall: 4125.19, 0.00290904/step, 2.89272 hours remaining, 209.132812 MB of memory in use. ENERGY: 1420200 788.1216 2074.5185 1985.6964 104.8352 -206239.5027 17903.2715 0.0000 0.0000 34279.6336 -149103.4259 299.3726 -183383.0596 -149009.3303 299.6401 40.5790 69.3155 556723.2419 11.2947 11.5019 LDB: ============= START OF LOAD BALANCING ============== 4128.66 LDB: ============== END OF LOAD BALANCING =============== 4128.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4128.66 LDB: ============= START OF LOAD BALANCING ============== 4128.95 LDB: Largest compute 4821 load 0.030079 is 25.6% of average load 0.117536 LDB: Average compute 0.001725 is 1.5% of average load 0.117536 LDB: TIME 4128.95 LOAD: AVG 0.117536 MAX 0.176835 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.961 MB LDB: TIME 4128.95 LOAD: AVG 0.117536 MAX 0.176835 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: TIME 4128.95 LOAD: AVG 0.117536 MAX 0.176835 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4128.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4128.96 PRESSURE: 1420400 -78.5656 -114.204 -105.275 -114.202 71.5514 5.29086 -105.276 5.29056 -6.40722 GPRESSURE: 1420400 -58.286 -135.525 -124.139 -87.1804 78.6387 -43.1888 -138.58 28.7588 46.1961 PRESSAVG: 1420400 -46.8777 9.48102 -90.668 9.48095 39.8171 -25.638 -90.6679 -25.638 26.0387 GPRESSAVG: 1420400 -47.8683 8.97985 -89.2997 9.12877 40.56 -23.8755 -91.321 -27.8668 25.7306 TIMING: 1420400 CPU: 4125.78, 0.00293443/step Wall: 4125.78, 0.00293443/step, 2.9178 hours remaining, 203.515625 MB of memory in use. ENERGY: 1420400 762.4997 2104.5193 1977.5448 122.9726 -205826.5336 17661.8070 0.0000 0.0000 34287.6706 -148909.5196 299.4428 -183197.1902 -148811.9617 299.6660 -4.4738 22.1829 558147.5641 6.3260 6.1408 PRESSURE: 1420600 53.7484 43.0733 -101.98 43.073 75.9495 -71.8405 -101.979 -71.8403 350.934 GPRESSURE: 1420600 68.0909 88.3972 -119.984 61.9019 88.9532 -97.5401 -5.99314 6.31952 411.254 PRESSAVG: 1420600 -27.6263 20.8185 -41.1597 20.8185 1.2458 26.5351 -41.1597 26.535 15.2916 GPRESSAVG: 1420600 -26.9099 19.1217 -41.2396 21.7336 1.26742 25.1073 -43.7079 28.6494 14.3837 TIMING: 1420600 CPU: 4126.36, 0.00288567/step Wall: 4126.36, 0.00288567/step, 2.86916 hours remaining, 203.515625 MB of memory in use. ENERGY: 1420600 756.1501 2092.6746 1961.6802 105.3108 -206208.0787 18105.3958 0.0000 0.0000 34227.3921 -148959.4751 298.9163 -183186.8672 -148861.0546 300.1294 160.2105 189.4328 558599.6240 -3.6963 -3.7529 PRESSURE: 1420800 99.8747 -77.8606 71.4072 -77.861 105.774 50.1151 71.4077 50.116 105.184 GPRESSURE: 1420800 120.265 -68.8187 134.043 -60.28 180.911 35.1532 41.9012 18.665 105.411 PRESSAVG: 1420800 -25.4217 8.62069 -44.3354 8.62078 -37.7434 2.93308 -44.3354 2.93307 59.3555 GPRESSAVG: 1420800 -24.9789 10.8748 -46.3547 9.00202 -38.1411 6.43718 -41.0755 0.882273 59.0754 TIMING: 1420800 CPU: 4126.94, 0.00289971/step Wall: 4126.94, 0.00289971/step, 2.88295 hours remaining, 203.515625 MB of memory in use. ENERGY: 1420800 716.8841 2124.7317 1916.8236 117.3230 -206522.8632 17968.2710 0.0000 0.0000 34600.0339 -149078.7959 302.1707 -183678.8298 -148983.9679 300.1174 103.6108 135.5293 557144.4197 -1.2699 -1.3482 PRESSURE: 1421000 96.9734 46.7622 -196.476 46.7624 -208.26 -174.017 -196.475 -174.017 -153.595 GPRESSURE: 1421000 130.751 54.9339 -235.938 69.8755 -234.551 -174.986 -117.156 -176.03 -77.8559 PRESSAVG: 1421000 33.9172 -1.16506 -64.2788 -1.16501 24.5214 10.9827 -64.2788 10.9827 -34.118 GPRESSAVG: 1421000 33.1534 -0.770245 -64.7168 -1.77104 24.3241 10.1242 -62.9821 12.4358 -33.7878 TIMING: 1421000 CPU: 4127.52, 0.00292166/step Wall: 4127.52, 0.00292166/step, 2.90462 hours remaining, 203.554688 MB of memory in use. ENERGY: 1421000 722.9036 2071.0851 1964.7202 120.7166 -205965.7177 17527.6218 0.0000 0.0000 34404.2636 -149154.4068 300.4610 -183558.6704 -149057.6694 299.6662 -88.2939 -60.5518 556796.8537 8.1069 7.8966 PRESSURE: 1421200 233.161 97.3788 51.4235 97.3792 162.566 66.616 51.4218 66.615 -42.3222 GPRESSURE: 1421200 241.652 134.153 64.0576 106.431 214.724 56.2531 92.3831 30.7305 -11.5728 PRESSAVG: 1421200 33.4799 -20.9512 -32.3225 -20.9511 26.7168 -12.5383 -32.3225 -12.5382 -24.0857 GPRESSAVG: 1421200 32.6441 -22.3722 -31.4816 -20.3074 26.9228 -13.6184 -33.0555 -11.1474 -23.0922 TIMING: 1421200 CPU: 4128.1, 0.00291242/step Wall: 4128.1, 0.00291242/step, 2.89526 hours remaining, 203.554688 MB of memory in use. ENERGY: 1421200 700.2819 2127.2301 1953.4814 127.1804 -206251.7986 17742.6209 0.0000 0.0000 34380.1671 -149220.8368 300.2506 -183601.0039 -149119.5457 300.1786 117.8017 148.2677 556471.7394 12.0370 12.1582 PRESSURE: 1421400 -195.111 20.2202 -67.7071 20.2207 108.215 -42.3469 -67.7068 -42.3478 -71.3429 GPRESSURE: 1421400 -137.045 47.2132 -94.0732 -16.5983 87.7766 -108.973 -115.539 -18.7516 -18.5324 PRESSAVG: 1421400 33.5983 53.5395 -36.7757 53.5395 17.9619 -18.2918 -36.7757 -18.2918 -63.3142 GPRESSAVG: 1421400 34.5959 55.7256 -36.4835 51.4616 18.2261 -17.1392 -37.4389 -19.6293 -64.1511 TIMING: 1421400 CPU: 4128.69, 0.00292086/step Wall: 4128.69, 0.00292086/step, 2.9035 hours remaining, 203.585938 MB of memory in use. ENERGY: 1421400 751.2676 2157.3252 1968.5658 114.8979 -206289.0262 17678.0295 0.0000 0.0000 34286.1397 -149332.8005 299.4294 -183618.9402 -149237.8055 299.2739 -52.7464 -22.6004 556980.9889 -3.9180 -3.7764 PRESSURE: 1421600 83.5612 223.324 39.3722 223.322 76.0533 -14.3001 39.3722 -14.2986 -389.422 GPRESSURE: 1421600 16.2634 137.748 160.102 235.062 142.509 17.0177 -51.6826 -17.3959 -290.583 PRESSAVG: 1421600 12.2953 46.4217 6.06804 46.4215 35.8166 -34.6114 6.0681 -34.6114 -68.8069 GPRESSAVG: 1421600 11.3091 44.007 5.06347 46.607 36.3018 -34.9725 7.04099 -36.2769 -68.7171 TIMING: 1421600 CPU: 4129.28, 0.0029423/step Wall: 4129.28, 0.0029423/step, 2.92465 hours remaining, 203.585938 MB of memory in use. ENERGY: 1421600 764.6653 2074.8137 1951.2701 122.5957 -206149.5210 17879.2790 0.0000 0.0000 34056.9501 -149299.9471 297.4278 -183356.8972 -149206.2241 299.4616 -76.6026 -43.9368 558253.5742 -6.8984 -7.0354 PRESSURE: 1421800 18.1396 124.207 116.148 124.208 179.713 63.1689 116.148 63.1675 19.6898 GPRESSURE: 1421800 116.375 229.547 172.09 124.347 165.399 87.2716 61.1971 45.5967 32.4644 PRESSAVG: 1421800 9.76185 17.7702 -44.0494 17.7703 95.8741 -19.5921 -44.0494 -19.5921 -94.9266 GPRESSAVG: 1421800 9.73749 19.2215 -42.5798 18.4195 94.2156 -20.1514 -45.0289 -17.9449 -93.855 TIMING: 1421800 CPU: 4129.86, 0.00289966/step Wall: 4129.86, 0.00289966/step, 2.8821 hours remaining, 203.585938 MB of memory in use. ENERGY: 1421800 743.5334 2040.0435 1944.9581 106.6659 -206131.8796 17897.3157 0.0000 0.0000 34196.7813 -149202.5816 298.6490 -183399.3629 -149105.6070 298.8082 72.5141 104.7461 556125.7040 3.5698 3.3660 PRESSURE: 1422000 -251.464 -57.455 183.571 -57.455 35.7819 -64.8891 183.571 -64.8874 -154.076 GPRESSURE: 1422000 -201.35 14.2389 186.272 -53.2658 74.1517 -63.9802 163.666 -35.2875 -148.227 PRESSAVG: 1422000 27.3633 -58.1906 18.8714 -58.1906 12.6491 10.0408 18.8715 10.0409 -76.5019 GPRESSAVG: 1422000 27.5291 -57.5197 17.9308 -57.7163 13.2988 11.2574 16.5131 8.37657 -77.3652 TIMING: 1422000 CPU: 4130.44, 0.00289625/step Wall: 4130.44, 0.00289625/step, 2.87855 hours remaining, 203.585938 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: 1422000 760.3470 2058.7433 1967.9596 100.5126 -205714.3949 17485.9246 0.0000 0.0000 34255.8300 -149085.0777 299.1647 -183340.9077 -148988.5763 299.8343 -123.2529 -91.8083 556339.7651 -12.1632 -12.1791 PRESSURE: 1422200 4.63511 26.1953 144.844 26.1948 63.9578 -0.594353 144.846 -0.591906 -52.2535 GPRESSURE: 1422200 12.6219 46.3224 178.3 39.3034 125.435 28.7115 55.688 -48.819 -24.7183 PRESSAVG: 1422200 112.761 -72.0137 -11.4138 -72.0137 -19.8272 17.6444 -11.4137 17.6445 -69.9975 GPRESSAVG: 1422200 113.421 -73.5445 -9.16617 -72.6527 -20.3721 17.8724 -12.4407 17.2197 -70.0734 TIMING: 1422200 CPU: 4131.02, 0.00290593/step Wall: 4131.02, 0.00290593/step, 2.88801 hours remaining, 203.585938 MB of memory in use. ENERGY: 1422200 770.9288 2129.8286 1951.1518 111.3602 -206185.6746 17724.1011 0.0000 0.0000 34357.0162 -149141.2878 300.0484 -183498.3041 -149041.5795 299.4887 5.4465 37.7796 555852.1003 7.6453 7.6584 PRESSURE: 1422400 156.491 -98.7564 204.537 -98.7555 -20.6154 36.496 204.537 36.495 -10.6228 GPRESSURE: 1422400 202.103 -110.898 225.971 -89.2201 49.3219 -43.0941 91.1771 110.762 -32.1293 PRESSAVG: 1422400 -7.35952 -15.1859 -64.779 -15.1858 18.5564 5.22522 -64.779 5.22514 -13.8605 GPRESSAVG: 1422400 -8.99218 -13.3707 -65.4586 -14.6966 19.8879 4.33667 -63.3921 6.85695 -13.5536 TIMING: 1422400 CPU: 4131.6, 0.00290916/step Wall: 4131.6, 0.00290917/step, 2.89106 hours remaining, 203.585938 MB of memory in use. ENERGY: 1422400 736.5929 2127.9198 1968.4210 102.1212 -206142.5913 17634.9773 0.0000 0.0000 34288.8532 -149283.7058 299.4531 -183572.5590 -149181.5888 298.9331 41.7508 73.0985 555925.9188 -0.8879 -0.8860 PRESSURE: 1422600 24.5117 229.929 -82.6687 229.929 -261.813 9.60602 -82.6689 9.60522 -135.41 GPRESSURE: 1422600 92.3825 125.102 18.0387 168.798 -220.74 22.6839 -104.699 -18.796 -153.696 PRESSAVG: 1422600 44.0383 4.10857 -39.741 4.10853 8.34737 15.1442 -39.741 15.1442 -2.91471 GPRESSAVG: 1422600 45.08 1.11262 -39.8297 6.73159 7.05839 14.4583 -39.3557 16.3257 -3.05126 TIMING: 1422600 CPU: 4132.18, 0.00290629/step Wall: 4132.18, 0.00290629/step, 2.88805 hours remaining, 203.585938 MB of memory in use. ENERGY: 1422600 782.8311 2082.0796 1960.9505 109.9958 -205874.1842 17509.5293 0.0000 0.0000 34323.2015 -149105.5964 299.7531 -183428.7979 -149004.9836 299.3682 -124.2372 -94.0181 556832.1358 16.4903 16.3624 PRESSURE: 1422800 97.1293 68.5664 -92.3162 68.5668 -8.24066 -77.2718 -92.3163 -77.2714 -121.906 GPRESSURE: 1422800 104.912 42.7734 -86.5835 -16.2625 41.678 -61.3171 -105.076 -47.5304 -92.4463 PRESSAVG: 1422800 104.324 -34.7617 -0.446538 -34.7618 -8.39307 37.7185 -0.446463 37.7184 -49.2972 GPRESSAVG: 1422800 103.091 -35.1023 -0.316691 -36.0256 -7.04303 37.5102 1.26939 37.4228 -49.5744 TIMING: 1422800 CPU: 4132.76, 0.00289216/step Wall: 4132.76, 0.00289216/step, 2.87384 hours remaining, 203.585938 MB of memory in use. ENERGY: 1422800 748.2125 2086.4582 1971.4854 114.2073 -206382.3322 17854.9867 0.0000 0.0000 34358.8377 -149248.1444 300.0643 -183606.9821 -149155.9748 299.1193 -11.0059 18.0479 557154.7698 15.5447 15.4912 PRESSURE: 1423000 -15.5314 98.7633 -186.638 98.7615 -27.2193 80.4172 -186.638 80.4162 93.9944 GPRESSURE: 1423000 42.3887 202.921 -144.562 47.5063 -3.03839 95.1235 -163.674 86.8822 109.413 PRESSAVG: 1423000 2.52867 4.12802 -79.7758 4.12801 30.5312 50.4448 -79.7757 50.4448 17.7847 GPRESSAVG: 1423000 3.77124 5.6644 -80.9953 6.07984 29.27 51.4104 -79.0853 51.9041 17.7381 TIMING: 1423000 CPU: 4133.34, 0.0028937/step Wall: 4133.34, 0.0028937/step, 2.87521 hours remaining, 203.585938 MB of memory in use. ENERGY: 1423000 737.4618 2090.0925 1962.3255 102.3242 -206255.2735 17897.3641 0.0000 0.0000 34314.4098 -149151.2956 299.6763 -183465.7054 -149055.4402 299.3728 17.0812 49.5877 556926.3775 16.9482 16.9264 PRESSURE: 1423200 -124.153 121.295 -130.679 121.296 84.8041 223.806 -130.678 223.806 -238.791 GPRESSURE: 1423200 -93.9324 172.31 -75.21 59.7913 100.405 155.982 -121.281 177.095 -192.07 PRESSAVG: 1423200 -21.2064 38.3384 -35.044 38.3384 47.8037 46.8648 -35.044 46.8647 -31.2833 GPRESSAVG: 1423200 -21.9431 39.9879 -33.713 36.1096 48.2758 47.9779 -35.1294 44.5645 -30.8103 TIMING: 1423200 CPU: 4133.91, 0.0028847/step Wall: 4133.91, 0.0028847/step, 2.86611 hours remaining, 203.585938 MB of memory in use. ENERGY: 1423200 735.7257 2087.7130 1948.2942 109.6094 -206032.6111 17662.5886 0.0000 0.0000 34238.8225 -149249.8577 299.0162 -183488.6802 -149149.6921 299.7236 -92.7135 -61.8659 558243.8789 -1.5620 -1.4925 PRESSURE: 1423400 -60.1137 -112.608 41.4013 -112.608 -83.8046 -96.2258 41.4012 -96.2253 -95.9017 GPRESSURE: 1423400 -58.1808 -148.314 116.55 -103.675 -81.1586 -69.0029 125.454 -148.12 -0.65175 PRESSAVG: 1423400 46.1593 -4.78267 3.15184 -4.78272 -46.5884 0.802589 3.15183 0.802538 32.596 GPRESSAVG: 1423400 46.5204 -6.34591 2.08746 -3.11139 -46.1056 -0.555004 3.90385 3.531 31.6356 TIMING: 1423400 CPU: 4134.5, 0.0029202/step Wall: 4134.5, 0.0029202/step, 2.90122 hours remaining, 203.585938 MB of memory in use. ENERGY: 1423400 763.6555 2055.8874 1916.1949 113.6499 -206291.0745 17803.7527 0.0000 0.0000 34205.7007 -149432.2332 298.7269 -183637.9339 -149335.3689 299.3576 -79.9400 -46.6637 557509.6530 10.7223 10.6835 PRESSURE: 1423600 -318.316 43.8227 113.341 43.8234 -192.64 -102.718 113.341 -102.719 149.614 GPRESSURE: 1423600 -300.89 -68.6983 201.874 82.7105 -152.267 -156.094 91.4728 -75.2843 187.204 PRESSAVG: 1423600 -62.1309 -52.4526 52.7257 -52.4527 19.152 -23.3548 52.7256 -23.3549 2.5489 GPRESSAVG: 1423600 -61.5162 -52.1343 52.9679 -54.3139 19.1378 -23.5279 52.7674 -24.6353 2.67721 TIMING: 1423600 CPU: 4135.08, 0.00288905/step Wall: 4135.08, 0.00288905/step, 2.87011 hours remaining, 203.585938 MB of memory in use. ENERGY: 1423600 761.3030 2077.4225 1954.6419 113.9406 -205907.8649 17682.2360 0.0000 0.0000 33965.3769 -149352.9441 296.6281 -183318.3210 -149259.7048 298.5310 -120.4475 -88.6513 558886.7720 -13.4767 -13.2337 PRESSURE: 1423800 -305.604 76.818 96.5682 76.8175 21.6842 -104.326 96.5697 -104.327 -59.6665 GPRESSURE: 1423800 -209.805 129.319 -23.5504 -43.2166 13.2744 -143.086 126.1 -58.9899 -54.9653 PRESSAVG: 1423800 -10.2627 -39.6167 26.0269 -39.6167 50.3555 -40.0477 26.0269 -40.0478 -32.6429 GPRESSAVG: 1423800 -10.9246 -36.4176 26.1003 -40.9307 50.2561 -38.7723 26.5548 -38.4946 -32.5749 TIMING: 1423800 CPU: 4135.66, 0.00289947/step Wall: 4135.66, 0.00289947/step, 2.8803 hours remaining, 203.585938 MB of memory in use. ENERGY: 1423800 744.1589 2087.3666 1956.4623 108.5038 -205914.6293 17658.6966 0.0000 0.0000 34123.9686 -149235.4725 298.0131 -183359.4411 -149140.8315 298.8959 -114.5288 -83.8321 558691.7745 2.4833 2.2522 PRESSURE: 1424000 -253.602 -31.1152 -12.8989 -31.1142 -134.9 12.3659 -12.8986 12.3638 101.416 GPRESSURE: 1424000 -234.98 -86.7192 -16.5088 -14.0235 -97.5197 -16.407 -24.2301 -28.3841 148.285 PRESSAVG: 1424000 -65.9746 22.4526 29.6628 22.4524 55.5792 50.677 29.6628 50.6771 -2.04592 GPRESSAVG: 1424000 -68.0046 20.4211 30.6552 22.1172 56.2474 51.638 26.4679 48.846 -0.956828 TIMING: 1424000 CPU: 4136.24, 0.00289715/step Wall: 4136.24, 0.00289715/step, 2.87784 hours remaining, 203.585938 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: 1424000 740.6316 2027.0532 1954.9424 118.0471 -206308.2317 17828.0855 0.0000 0.0000 34336.7951 -149302.6768 299.8718 -183639.4718 -149207.9059 298.9503 -95.6955 -61.4048 558954.5941 -4.1471 -4.2380 PRESSURE: 1424200 -386.684 22.5968 27.2804 22.5944 5.03756 -101.302 27.2799 -101.3 3.30537 GPRESSURE: 1424200 -343.588 63.3754 65.7479 -15.4672 41.015 -107.24 -48.3549 -145.844 18.7059 PRESSAVG: 1424200 -53.5293 -5.04241 -44.9725 -5.04232 38.2688 -8.43831 -44.9723 -8.43831 39.9519 GPRESSAVG: 1424200 -52.9533 -5.65917 -45.6406 -0.857422 37.9785 -10.1862 -44.0076 -7.06003 39.2903 TIMING: 1424200 CPU: 4136.81, 0.0028926/step Wall: 4136.81, 0.0028926/step, 2.87315 hours remaining, 203.585938 MB of memory in use. ENERGY: 1424200 714.9801 2064.1653 1941.1010 108.0088 -206167.4632 17721.3400 0.0000 0.0000 34146.9607 -149470.9073 298.2139 -183617.8680 -149377.8960 299.4995 -126.1138 -94.6224 558443.0148 8.2305 8.1052 LDB: ============= START OF LOAD BALANCING ============== 4140.28 LDB: ============== END OF LOAD BALANCING =============== 4140.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4140.28 LDB: ============= START OF LOAD BALANCING ============== 4140.57 LDB: Largest compute 4821 load 0.030389 is 25.8% of average load 0.117606 LDB: Average compute 0.001732 is 1.5% of average load 0.117606 LDB: TIME 4140.58 LOAD: AVG 0.117606 MAX 0.179123 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 4140.58 LOAD: AVG 0.117606 MAX 0.179123 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.098 MB LDB: TIME 4140.58 LOAD: AVG 0.117606 MAX 0.179123 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4140.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4140.58 PRESSURE: 1424400 -42.9216 -6.65246 9.05368 -6.65233 101.5 17.4366 9.05493 17.4365 -112.77 GPRESSURE: 1424400 -58.1085 -34.5831 29.4334 -32.1353 198.636 4.4673 64.519 47.1833 -96.2594 PRESSAVG: 1424400 -3.78383 2.8723 11.9746 2.87227 16.5775 -6.42536 11.9745 -6.42527 -4.71574 GPRESSAVG: 1424400 -3.90157 2.71429 11.6554 0.714027 18.6226 -6.74505 14.1325 -6.28773 -6.77144 TIMING: 1424400 CPU: 4137.41, 0.00297264/step Wall: 4137.41, 0.00297264/step, 2.95249 hours remaining, 205.617188 MB of memory in use. ENERGY: 1424400 771.8386 2099.7446 1917.1875 98.3001 -206240.3339 17955.4277 0.0000 0.0000 33914.3363 -149483.4992 296.1823 -183397.8355 -149390.1495 297.7165 -18.0640 14.7561 558823.5119 2.6926 2.6499 PRESSURE: 1424600 5.19786 -59.4211 48.6535 -59.4205 231.741 62.9309 48.654 62.9307 -59.8489 GPRESSURE: 1424600 16.792 -14.1187 88.6127 -118.673 243.826 18.8032 -37.3919 66.0925 -1.37453 PRESSAVG: 1424600 -32.0598 34.7917 32.5682 34.7917 19.096 -16.2369 32.5683 -16.2369 39.3386 GPRESSAVG: 1424600 -31.4766 35.9261 32.0289 35.2805 17.3052 -14.3285 32.4519 -16.9692 40.3709 TIMING: 1424600 CPU: 4137.99, 0.0029066/step Wall: 4137.99, 0.0029066/step, 2.88674 hours remaining, 205.859375 MB of memory in use. ENERGY: 1424600 743.1253 2104.9611 1966.3806 110.0187 -206764.6239 17926.0935 0.0000 0.0000 34358.9613 -149555.0834 300.0654 -183914.0447 -149455.7421 298.1142 59.0300 86.4144 556163.9911 8.7916 8.7332 PRESSURE: 1424800 -237.371 -91.6635 -49.4161 -91.6632 253.755 98.4866 -49.4166 98.4871 94.1379 GPRESSURE: 1424800 -230.718 -39.4597 -78.665 -64.9903 336.664 204.481 -11.5999 97.3194 101.127 PRESSAVG: 1424800 -66.1134 3.75974 -36.62 3.75969 59.7317 33.506 -36.62 33.5061 -18.1123 GPRESSAVG: 1424800 -66.4006 3.42139 -35.1047 2.85047 59.9842 31.4631 -37.7188 36.3385 -18.5339 TIMING: 1424800 CPU: 4138.57, 0.00289892/step Wall: 4138.57, 0.00289892/step, 2.87895 hours remaining, 205.859375 MB of memory in use. ENERGY: 1424800 739.6770 2091.7657 1959.9610 116.1984 -206264.6852 17882.8958 0.0000 0.0000 34216.9152 -149257.2721 298.8248 -183474.1873 -149169.3658 299.0960 36.8407 69.0245 556940.3532 -8.1647 -8.3168 PRESSURE: 1425000 146.95 -82.1258 -78.3743 -82.1246 -69.3495 -101.48 -78.373 -101.48 63.0461 GPRESSURE: 1425000 191.796 -74.4909 -66.7001 -13.9264 -35.8044 -128.725 3.18025 -132.452 73.9489 PRESSAVG: 1425000 20.5571 6.17071 3.52124 6.1707 21.5404 3.73419 3.52121 3.73412 -16.7639 GPRESSAVG: 1425000 19.6001 7.29596 4.00256 5.67813 21.8215 5.13609 4.37631 1.20126 -16.5568 TIMING: 1425000 CPU: 4139.15, 0.00290864/step Wall: 4139.15, 0.00290864/step, 2.88844 hours remaining, 205.859375 MB of memory in use. ENERGY: 1425000 703.3839 2057.0784 1963.5319 110.4936 -205894.7484 17574.1686 0.0000 0.0000 34163.0435 -149323.0484 298.3544 -183486.0920 -149230.1678 298.7093 46.8822 76.6469 555346.8428 8.4445 8.2883 PRESSURE: 1425200 -74.9743 48.0939 -65.2829 48.0949 -3.63532 127.708 -65.2836 127.707 169.324 GPRESSURE: 1425200 -20.1078 -46.0339 -172.128 25.8002 24.1402 119.451 58.6623 103.105 190.905 PRESSAVG: 1425200 63.4686 -34.1599 -22.5873 -34.1599 24.1458 9.35731 -22.5872 9.35718 -84.1052 GPRESSAVG: 1425200 64.562 -35.7309 -22.6845 -33.0887 22.743 8.04237 -21.3867 9.68926 -83.8681 TIMING: 1425200 CPU: 4139.73, 0.00290153/step Wall: 4139.73, 0.00290153/step, 2.88122 hours remaining, 205.859375 MB of memory in use. ENERGY: 1425200 705.0198 2089.2771 1958.2169 115.6743 -206228.5367 17827.8377 0.0000 0.0000 34213.4517 -149319.0593 298.7946 -183532.5110 -149228.3253 298.7757 30.2381 64.9792 556686.3868 1.1697 1.1456 PRESSURE: 1425400 52.3892 -222.936 126.335 -222.938 -5.81351 47.2503 126.335 47.2481 119.734 GPRESSURE: 1425400 79.4506 -196.124 165.175 -172.628 86.0935 86.9726 71.2825 25.7897 87.6471 PRESSAVG: 1425400 21.7988 -43.1424 10.1908 -43.1423 0.922052 13.1337 10.1907 13.1337 14.7256 GPRESSAVG: 1425400 20.2874 -42.7029 11.4671 -43.841 1.55505 12.8713 8.8354 13.3368 14.6749 TIMING: 1425400 CPU: 4140.31, 0.00287936/step Wall: 4140.31, 0.00287936/step, 2.85905 hours remaining, 205.925781 MB of memory in use. ENERGY: 1425400 709.5019 2147.4407 1976.8000 127.7905 -206597.2987 17901.4486 0.0000 0.0000 34410.8080 -149323.5090 300.5181 -183734.3170 -149227.1883 298.9701 55.4365 84.3971 554661.6896 12.4821 12.1725 PRESSURE: 1425600 125.607 16.0822 114.944 16.0821 -69.5702 14.6322 114.943 14.6337 114.186 GPRESSURE: 1425600 163.521 -23.7833 185.599 93.1997 -32.792 28.6961 69.528 -11.63 124.535 PRESSAVG: 1425600 -3.23767 -14.5138 -32.0392 -14.5138 -5.61305 20.735 -32.0393 20.735 45.9631 GPRESSAVG: 1425600 -3.56077 -14.2695 -29.8049 -14.0376 -5.45991 21.2351 -32.5642 21.0751 46.1649 TIMING: 1425600 CPU: 4140.89, 0.00289514/step Wall: 4140.89, 0.00289514/step, 2.87455 hours remaining, 205.925781 MB of memory in use. ENERGY: 1425600 717.2902 2110.7914 1943.1536 109.7524 -206688.3548 17851.0493 0.0000 0.0000 34498.6876 -149457.6303 301.2856 -183956.3178 -149367.3032 299.1273 56.7410 85.0879 555246.6359 12.3708 12.3814 PRESSURE: 1425800 -11.4089 168.391 -94.3858 168.391 -71.8952 -85.1111 -94.3858 -85.11 273.048 GPRESSURE: 1425800 49.047 178.138 -76.7318 137.363 -58.2505 -113.065 -116.272 -57.4338 286.585 PRESSAVG: 1425800 -22.8059 -5.87527 -21.3157 -5.8752 -51.5912 2.25993 -21.3158 2.25999 63.3555 GPRESSAVG: 1425800 -22.0872 -7.87068 -24.251 -4.72624 -51.5613 3.02366 -22.2076 2.92382 62.4292 TIMING: 1425800 CPU: 4141.47, 0.00291203/step Wall: 4141.47, 0.00291203/step, 2.89116 hours remaining, 205.925781 MB of memory in use. ENERGY: 1425800 734.1539 2102.0233 1948.1308 113.2744 -206426.2987 17719.4884 0.0000 0.0000 34433.9035 -149375.3244 300.7198 -183809.2278 -149273.3685 298.8245 63.2479 92.4604 556731.2542 -3.6805 -3.7398 PRESSURE: 1426000 -53.5583 102.774 188.45 102.774 41.4677 -107.099 188.451 -107.097 -248.717 GPRESSURE: 1426000 8.04877 50.8942 151.216 121.492 20.5017 -183.103 202.459 -140.458 -185.139 PRESSAVG: 1426000 -15.3321 -0.988043 4.31558 -0.988097 9.37044 -44.9064 4.31562 -44.9064 4.32381 GPRESSAVG: 1426000 -15.3687 0.340674 3.76233 -1.46034 9.2019 -48.133 4.24676 -44.8077 4.75103 TIMING: 1426000 CPU: 4142.05, 0.00289327/step Wall: 4142.05, 0.00289327/step, 2.87238 hours remaining, 205.925781 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: 1426000 746.4883 2099.9660 1935.5324 117.0146 -206139.1648 17686.4575 0.0000 0.0000 34153.1745 -149400.5317 298.2682 -183553.7062 -149313.7708 298.0456 -86.9359 -52.1963 557924.1789 -0.5459 -0.4719 PRESSURE: 1426200 -4.83525 147.301 70.5422 147.303 236.41 -3.69065 70.5407 -3.69021 69.8599 GPRESSURE: 1426200 60.7652 171.588 121.842 112.205 197.6 53.9156 67.9751 -56.5412 154.694 PRESSAVG: 1426200 8.20586 -4.02928 2.92851 -4.02929 114.251 -18.9195 2.92852 -18.9196 -32.3249 GPRESSAVG: 1426200 8.27916 -2.95416 3.50732 -3.85864 114.655 -17.0693 2.81705 -20.4251 -32.3719 TIMING: 1426200 CPU: 4142.62, 0.00288546/step Wall: 4142.62, 0.00288546/step, 2.86446 hours remaining, 205.925781 MB of memory in use. ENERGY: 1426200 716.5132 2106.1352 1944.3119 102.2849 -206594.0121 18048.5035 0.0000 0.0000 34294.2189 -149382.0444 299.4999 -183676.2633 -149277.1054 299.1816 100.4782 137.6861 556415.7609 30.0440 30.1873 PRESSURE: 1426400 164.158 108.37 -129.593 108.369 -192.024 -64.116 -129.595 -64.1175 -94.4463 GPRESSURE: 1426400 168.999 135.404 -136.517 89.6358 -162.008 -133.654 -136.598 -16.5841 -47.9095 PRESSAVG: 1426400 -12.062 11.0026 25.7865 11.0026 -38.3382 -29.0742 25.7864 -29.0741 -3.00102 GPRESSAVG: 1426400 -11.875 11.6766 24.8613 9.39838 -38.9826 -27.7817 26.6994 -28.3816 -2.73804 TIMING: 1426400 CPU: 4143.2, 0.0028842/step Wall: 4143.2, 0.0028842/step, 2.86305 hours remaining, 205.925781 MB of memory in use. ENERGY: 1426400 761.5037 2070.4212 1968.8242 115.1030 -205984.6336 17764.0388 0.0000 0.0000 34130.8760 -149173.8666 298.0734 -183304.7426 -149071.4783 299.0128 -40.7707 -13.6395 557477.4271 -17.8004 -17.8652 PRESSURE: 1426600 164.608 32.9965 -18.308 32.996 36.8743 -21.1647 -18.3069 -21.1645 62.5792 GPRESSURE: 1426600 204.422 100.798 -14.6088 66.8163 94.2863 2.61729 -63.1263 2.63439 42.2668 PRESSAVG: 1426600 59.9068 -0.217902 -8.21744 -0.217897 6.50666 34.2434 -8.21747 34.2434 -54.7284 GPRESSAVG: 1426600 61.3184 -2.75031 -6.82652 1.12702 6.45127 35.0721 -8.97021 34.3997 -55.9318 TIMING: 1426600 CPU: 4143.78, 0.00291713/step Wall: 4143.78, 0.00291713/step, 2.89557 hours remaining, 205.925781 MB of memory in use. ENERGY: 1426600 733.1896 2082.6068 1929.3953 116.3409 -206325.9852 18047.4016 0.0000 0.0000 34365.3173 -149051.7338 300.1209 -183417.0511 -148949.4882 299.6693 88.0203 113.6585 558312.7221 3.8950 3.9459 PRESSURE: 1426800 -168.35 -156.052 -25.7823 -156.051 11.4441 -23.8041 -25.7833 -23.8049 108.51 GPRESSURE: 1426800 -73.9878 -152.203 -33.2127 -155.051 28.4176 19.6299 -97.6012 -49.7809 101.431 PRESSAVG: 1426800 35.8642 10.1104 9.87936 10.1104 -30.5906 -20.1881 9.87937 -20.1881 0.617857 GPRESSAVG: 1426800 34.9868 11.3439 10.067 10.9071 -30.5588 -21.9895 10.8252 -20.8095 1.36376 TIMING: 1426800 CPU: 4144.36, 0.00288839/step Wall: 4144.36, 0.00288838/step, 2.86688 hours remaining, 205.925781 MB of memory in use. ENERGY: 1426800 747.7666 2137.8013 1970.5043 121.9309 -206085.8413 17838.5325 0.0000 0.0000 34397.9330 -148871.3727 300.4057 -183269.3057 -148778.9778 299.3261 -16.1320 18.6204 558773.3053 1.9638 1.9306 PRESSURE: 1427000 68.1436 4.65402 -77.5111 4.65439 412.324 73.6577 -77.5126 73.6558 72.2053 GPRESSURE: 1427000 128.735 -20.6994 -167.153 8.73278 432.745 43.4224 -9.76787 23.8967 81.4851 PRESSAVG: 1427000 -9.25399 32.8221 42.1638 32.8221 4.7737 33.5315 42.1638 33.5315 -18.9192 GPRESSAVG: 1427000 -9.10698 30.2272 41.6514 33.8801 3.98844 33.0098 42.6737 34.0032 -18.4339 TIMING: 1427000 CPU: 4144.94, 0.00289858/step Wall: 4144.94, 0.00289858/step, 2.87684 hours remaining, 205.925781 MB of memory in use. ENERGY: 1427000 752.2527 2124.7718 1978.8342 124.1778 -206359.0687 18121.1509 0.0000 0.0000 34106.8568 -149151.0246 297.8637 -183257.8814 -149056.2815 299.1831 184.2242 214.3217 557689.8476 -7.7998 -7.8508 PRESSURE: 1427200 -202.563 31.5338 150.403 31.5333 250.557 -93.7234 150.403 -93.7227 51.8709 GPRESSURE: 1427200 -243.514 -33.1534 165.084 158.653 309.048 -117.278 112.316 -84.5624 113.849 PRESSAVG: 1427200 -8.16439 -20.3372 26.5458 -20.3372 42.4193 46.1649 26.5459 46.1649 -1.07832 GPRESSAVG: 1427200 -8.57421 -17.7276 26.4487 -21.8076 42.9816 47.4128 25.9026 46.373 -1.26848 TIMING: 1427200 CPU: 4145.52, 0.00289009/step Wall: 4145.52, 0.00289009/step, 2.86825 hours remaining, 205.925781 MB of memory in use. ENERGY: 1427200 719.9436 2085.7739 1968.3991 118.8501 -206429.3858 17948.2064 0.0000 0.0000 34358.4120 -149229.8006 300.0606 -183588.2126 -149129.8046 299.3095 33.2883 59.7942 559595.7686 11.0589 11.0463 PRESSURE: 1427400 358.1 -240.541 86.658 -240.542 -5.85177 105.199 86.6584 105.2 -226.08 GPRESSURE: 1427400 320.249 -254.851 14.7419 -188.759 78.9329 108.592 85.5018 71.7106 -194.42 PRESSAVG: 1427400 -36.2542 -28.7243 27.8193 -28.7243 5.26498 71.847 27.8194 71.847 0.690452 GPRESSAVG: 1427400 -36.5833 -29.6865 28.1716 -28.6027 4.57023 70.78 27.7086 72.2379 1.82864 TIMING: 1427400 CPU: 4146.1, 0.00289334/step Wall: 4146.1, 0.00289334/step, 2.87132 hours remaining, 205.925781 MB of memory in use. ENERGY: 1427400 745.8694 2102.2620 1947.2070 116.2755 -206749.9132 18089.4616 0.0000 0.0000 34386.8468 -149361.9910 300.3089 -183748.8378 -149271.5048 298.6869 42.0559 68.2540 558629.7651 -10.0996 -10.0615 PRESSURE: 1427600 -167.725 -63.127 -65.2219 -63.1283 -163.19 -53.3576 -65.2228 -53.358 72.754 GPRESSURE: 1427600 -146.403 -51.0735 -94.1504 -9.8315 -94.3038 -101.195 -45.3937 -31.3837 69.1652 PRESSAVG: 1427600 59.7695 76.4764 -25.2786 76.4763 -40.0666 -18.8686 -25.2784 -18.8685 -11.3659 GPRESSAVG: 1427600 60.8736 77.4543 -25.9668 75.1588 -39.0478 -18.742 -25.8145 -19.9799 -14.8044 TIMING: 1427600 CPU: 4146.68, 0.00288823/step Wall: 4146.68, 0.00288823/step, 2.86608 hours remaining, 205.925781 MB of memory in use. ENERGY: 1427600 718.7793 2069.2390 1958.9380 108.5123 -206177.3851 17749.8415 0.0000 0.0000 34164.5499 -149407.5250 298.3675 -183572.0749 -149318.5520 298.3977 -86.0538 -57.1804 558361.7961 2.7790 2.3405 PRESSURE: 1427800 -250.429 -203.858 -52.2999 -203.858 93.546 51.641 -52.301 51.6403 -64.653 GPRESSURE: 1427800 -166.283 -153.898 -64.1526 -218.39 56.3217 63.6713 -83.3399 -47.6737 -28.2622 PRESSAVG: 1427800 30.624 -16.443 -40.8965 -16.443 -26.2338 -22.2253 -40.8965 -22.2253 23.2372 GPRESSAVG: 1427800 30.4701 -16.5232 -39.2216 -17.1323 -26.4391 -21.6435 -41.7951 -22.2594 23.5484 TIMING: 1427800 CPU: 4147.26, 0.00291877/step Wall: 4147.26, 0.00291877/step, 2.89623 hours remaining, 205.925781 MB of memory in use. ENERGY: 1427800 729.2510 2090.8107 1948.8667 101.0451 -205987.2717 17632.1889 0.0000 0.0000 34076.1960 -149408.9132 297.5959 -183485.1092 -149318.6793 297.8448 -73.8454 -46.0745 558908.2637 9.2091 9.1931 PRESSURE: 1428000 -14.8924 122.658 -10.0361 122.657 -389.913 -9.6848 -10.0356 -9.68595 -324.562 GPRESSURE: 1428000 -24.8441 131.234 10.0117 129.99 -322.936 19.4923 -43.2047 0.821885 -305.401 PRESSAVG: 1428000 17.3283 -28.6946 -19.2749 -28.6945 -12.9014 11.4356 -19.2749 11.4356 1.18887 GPRESSAVG: 1428000 16.9396 -31.3422 -21.09 -25.5831 -14.6674 9.39309 -17.0143 12.8672 2.69358 TIMING: 1428000 CPU: 4147.84, 0.00290662/step Wall: 4147.84, 0.00290662/step, 2.88401 hours remaining, 205.925781 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: 1428000 766.3865 2113.9971 1936.0072 110.5908 -206336.0173 17709.2867 0.0000 0.0000 34178.1320 -149521.6171 298.4861 -183699.7490 -149428.3622 298.3027 -243.1226 -217.7274 559945.4882 1.8719 1.6553 PRESSURE: 1428200 17.2186 42.0186 -106.569 42.0187 -46.0023 -23.0778 -106.569 -23.0768 -189.331 GPRESSURE: 1428200 60.8438 -82.3033 -72.4497 73.3116 10.6006 -14.0279 -50.8551 49.5 -190.22 PRESSAVG: 1428200 5.33608 21.3564 -7.31209 21.3563 29.5641 -19.8846 -7.31206 -19.8847 -49.1437 GPRESSAVG: 1428200 6.5572 22.2611 -8.14897 19.1905 29.2198 -17.3038 -6.88318 -18.6981 -50.5353 TIMING: 1428200 CPU: 4148.42, 0.00291506/step Wall: 4148.42, 0.00291506/step, 2.89223 hours remaining, 205.925781 MB of memory in use. ENERGY: 1428200 732.4926 2088.8703 1946.6689 101.5798 -206134.4419 17592.1105 0.0000 0.0000 34311.6858 -149361.0340 299.6525 -183672.7198 -149260.6844 298.8390 -72.7050 -39.5918 557824.2899 -4.7478 -4.9194 LDB: ============= START OF LOAD BALANCING ============== 4151.89 LDB: ============== END OF LOAD BALANCING =============== 4151.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4151.89 LDB: ============= START OF LOAD BALANCING ============== 4152.19 LDB: Largest compute 4821 load 0.029926 is 25.4% of average load 0.117725 LDB: Average compute 0.001728 is 1.5% of average load 0.117725 LDB: TIME 4152.19 LOAD: AVG 0.117725 MAX 0.175762 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.078 MB LDB: TIME 4152.19 LOAD: AVG 0.117725 MAX 0.175762 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: TIME 4152.19 LOAD: AVG 0.117725 MAX 0.175762 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4152.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4152.2 PRESSURE: 1428400 -148.466 -110.614 14.9317 -110.614 -77.1339 -14.6577 14.9326 -14.6569 6.49127 GPRESSURE: 1428400 -161.781 -66.4618 45.8568 -117.287 -35.8276 32.2519 -61.055 35.1304 64.0475 PRESSAVG: 1428400 47.3961 -8.04079 -38.1479 -8.04073 -32.7173 -31.7567 -38.1479 -31.7567 -82.6727 GPRESSAVG: 1428400 46.3784 -6.83607 -36.5322 -8.75369 -32.3989 -32.2044 -38.5155 -31.5792 -82.1881 TIMING: 1428400 CPU: 4149.02, 0.00297524/step Wall: 4149.02, 0.00297523/step, 2.95176 hours remaining, 203.589844 MB of memory in use. ENERGY: 1428400 765.0390 2141.6253 1926.2607 113.5028 -206197.8402 17648.1115 0.0000 0.0000 34186.4267 -149416.8742 298.5586 -183603.3009 -149319.0817 298.4044 -73.0363 -44.5205 557644.5630 -22.6646 -22.7362 PRESSURE: 1428600 96.5427 -86.246 87.8637 -86.2461 17.9095 -0.500048 87.8637 -0.501244 106.835 GPRESSURE: 1428600 124.023 22.6506 62.7801 -134.169 65.5001 42.8778 69.5199 63.8242 122.953 PRESSAVG: 1428600 5.74924 30.8006 38.087 30.8006 25.5261 -35.6822 38.0869 -35.6822 -23.9024 GPRESSAVG: 1428600 6.24006 30.5441 36.1682 31.5858 25.4101 -34.8784 37.3285 -37.7913 -24.6982 TIMING: 1428600 CPU: 4149.6, 0.00291146/step Wall: 4149.6, 0.00291146/step, 2.88833 hours remaining, 203.589844 MB of memory in use. ENERGY: 1428600 718.4038 2085.1997 1955.4222 104.8075 -206599.7014 18218.8902 0.0000 0.0000 34068.2794 -149448.6986 297.5268 -183516.9780 -149352.6409 298.8134 73.7623 104.1588 558709.2146 2.4577 2.3173 PRESSURE: 1428800 -138.778 -208.048 -36.9685 -208.048 -143.531 -65.5869 -36.9696 -65.5865 -194.169 GPRESSURE: 1428800 -119.004 -195.929 6.49691 -186.229 -120.676 -96.1414 -92.7096 -52.6635 -136.549 PRESSAVG: 1428800 -62.7583 3.84009 -10.2784 3.84011 30.7779 2.52307 -10.2783 2.52309 8.51908 GPRESSAVG: 1428800 -64.2814 1.81746 -9.29884 3.95611 31.9023 2.89454 -10.046 3.59325 8.50777 TIMING: 1428800 CPU: 4150.18, 0.00288897/step Wall: 4150.18, 0.00288897/step, 2.86585 hours remaining, 203.589844 MB of memory in use. ENERGY: 1428800 794.5915 2088.1418 1945.7155 124.5573 -206520.8019 17865.1534 0.0000 0.0000 34242.8956 -149459.7468 299.0517 -183702.6423 -149365.9268 297.9867 -158.8260 -125.4099 558010.9590 -7.8205 -7.9571 PRESSURE: 1429000 36.951 -32.7036 35.6147 -32.7036 -220.403 126.182 35.6148 126.183 38.8098 GPRESSURE: 1429000 24.5307 -91.3758 14.2294 34.7039 -189.911 134.943 77.0413 118.42 118.152 PRESSAVG: 1429000 9.65215 -45.571 9.33386 -45.571 25.6078 -36.389 9.33382 -36.389 8.87838 GPRESSAVG: 1429000 9.11456 -44.2152 6.80873 -45.6524 24.4866 -36.8073 9.86382 -38.0251 10.4526 TIMING: 1429000 CPU: 4150.76, 0.00291346/step Wall: 4150.76, 0.00291346/step, 2.88999 hours remaining, 203.820312 MB of memory in use. ENERGY: 1429000 778.7838 2108.9071 1950.2943 116.8615 -206241.8310 17863.6704 0.0000 0.0000 34095.4838 -149327.8301 297.7643 -183423.3139 -149221.3479 298.6530 -48.2142 -15.7427 558196.7500 14.7128 14.6846 PRESSURE: 1429200 37.463 -12.4332 132.736 -12.4336 -19.4194 -84.5581 132.736 -84.5575 140.027 GPRESSURE: 1429200 130.752 -105.459 140.333 49.9897 -71.1859 -36.2011 139.157 -54.9178 186.103 PRESSAVG: 1429200 80.5134 -39.2465 -66.0726 -39.2465 -80.2386 -67.1679 -66.0726 -67.168 24.9311 GPRESSAVG: 1429200 81.2286 -38.747 -63.8537 -39.2889 -80.2338 -67.2501 -67.2308 -66.251 24.1967 TIMING: 1429200 CPU: 4151.35, 0.00291336/step Wall: 4151.35, 0.00291336/step, 2.88972 hours remaining, 203.820312 MB of memory in use. ENERGY: 1429200 753.1181 2131.4817 1954.4425 109.6493 -206510.1829 18031.9738 0.0000 0.0000 34291.2532 -149238.2643 299.4740 -183529.5175 -149145.1703 298.7124 52.6902 81.8896 557704.5521 8.4020 8.3972 PRESSURE: 1429400 -63.8168 -41.176 -34.0256 -41.1771 -168.219 129.305 -34.0255 129.305 63.4148 GPRESSURE: 1429400 -17.1219 -5.28307 47.0928 -119.168 -142.411 113.281 -52.5354 52.825 79.8965 PRESSAVG: 1429400 17.442 -71.3226 21.6394 -71.3226 4.7047 -25.8334 21.6395 -25.8334 -19.7555 GPRESSAVG: 1429400 17.3301 -71.0983 22.4406 -70.0983 5.04603 -27.3406 19.7381 -26.3917 -19.9779 TIMING: 1429400 CPU: 4151.92, 0.00289693/step Wall: 4151.92, 0.00289693/step, 2.87327 hours remaining, 203.820312 MB of memory in use. ENERGY: 1429400 741.3354 2152.5437 1974.0589 119.0390 -206169.0303 17649.1838 0.0000 0.0000 34304.6097 -149228.2597 299.5907 -183532.8695 -149128.1479 299.2667 -56.2070 -26.5453 557114.7798 0.7971 0.7994 PRESSURE: 1429600 186.418 11.4284 -167.539 11.4292 240.771 -161.253 -167.539 -161.255 171.686 GPRESSURE: 1429600 213.515 -77.25 -105.837 166.59 240.659 -129.059 -75.0233 -185.346 232.982 PRESSAVG: 1429600 24.6918 -78.6724 12.2905 -78.6724 39.1728 -46.851 12.2905 -46.8511 -26.3968 GPRESSAVG: 1429600 23.4802 -79.3481 11.854 -79.2843 39.3583 -46.7091 14.2386 -44.6262 -26.1315 TIMING: 1429600 CPU: 4152.51, 0.00291241/step Wall: 4152.51, 0.00291241/step, 2.88847 hours remaining, 203.820312 MB of memory in use. ENERGY: 1429600 747.7076 2104.3510 1948.9091 113.6936 -206478.5744 18173.2703 0.0000 0.0000 34195.8511 -149194.7918 298.6409 -183390.6428 -149109.2336 299.4835 199.6252 229.0520 555350.0502 12.4893 12.2357 PRESSURE: 1429800 -0.575961 -45.5937 6.56751 -45.5933 -54.2016 -158.322 6.56814 -158.323 53.3756 GPRESSURE: 1429800 15.8691 -92.9171 -85.142 12.7125 -56.5281 -273.181 12.0161 -83.1144 123.091 PRESSAVG: 1429800 -92.8468 -24.0957 45.4768 -24.0956 34.178 -27.3853 45.4767 -27.3853 32.9072 GPRESSAVG: 1429800 -92.0862 -24.5665 44.7329 -22.3074 33.1055 -27.5705 46.1388 -27.8763 32.9139 TIMING: 1429800 CPU: 4153.09, 0.00291953/step Wall: 4153.09, 0.00291953/step, 2.89536 hours remaining, 203.820312 MB of memory in use. ENERGY: 1429800 743.6547 2034.9143 1953.1300 118.7835 -206096.9481 17627.9348 0.0000 0.0000 34345.7378 -149272.7930 299.9499 -183618.5308 -149174.2834 299.9553 -0.4673 27.4772 554526.5426 -8.5872 -8.6889 PRESSURE: 1430000 -36.8993 -122.581 -9.42632 -122.581 -134.177 137.885 -9.42595 137.887 -224.079 GPRESSURE: 1430000 -3.87272 -95.5102 -62.6789 -41.3395 -122.595 35.9696 17.285 168.305 -172.112 PRESSAVG: 1430000 -98.6521 -27.7761 0.0576329 -27.7761 39.9761 57.3203 0.0576938 57.3202 81.4813 GPRESSAVG: 1430000 -99.1102 -27.8688 -0.412243 -29.9697 41.3757 57.7856 1.38224 56.168 80.7087 TIMING: 1430000 CPU: 4153.67, 0.00291914/step Wall: 4153.67, 0.00291914/step, 2.89481 hours remaining, 203.820312 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: 1430000 769.6271 2125.3965 1998.0707 111.1028 -206202.6248 17668.8060 0.0000 0.0000 34306.9919 -149222.6297 299.6115 -183529.6216 -149128.6619 299.2688 -131.7184 -99.5264 556813.9959 7.6018 7.6581 PRESSURE: 1430200 -141.261 -183.772 -2.73793 -183.773 -39.1226 -3.99698 -2.73777 -3.99546 -11.354 GPRESSURE: 1430200 -9.6331 -106.324 -4.72178 -165.322 -59.6073 66.0979 -41.4664 13.0952 -30.484 PRESSAVG: 1430200 -56.2613 -77.6087 -8.91543 -77.6087 25.3641 53.0056 -8.91535 53.0057 56.9178 GPRESSAVG: 1430200 -55.5647 -76.5274 -8.63822 -77.8063 23.7234 54.0621 -11.8986 52.4005 57.4924 TIMING: 1430200 CPU: 4154.25, 0.0028793/step Wall: 4154.25, 0.0028793/step, 2.85515 hours remaining, 203.820312 MB of memory in use. ENERGY: 1430200 755.8264 1999.3052 1962.0155 111.2037 -205974.4970 17827.3840 0.0000 0.0000 34122.7130 -149196.0492 298.0021 -183318.7622 -149094.7442 299.1796 -63.9124 -33.2415 557798.4892 8.6735 8.5504 PRESSURE: 1430400 218.429 -106.91 7.17331 -106.909 139.995 -155.409 7.17365 -155.41 187.417 GPRESSURE: 1430400 233.814 -130.964 0.955676 -80.9239 157.218 -176.184 22.1307 -118.87 252.381 PRESSAVG: 1430400 -95.9182 39.0541 46.0061 39.054 10.418 22.01 46.0062 22.01 92.0662 GPRESSAVG: 1430400 -96.6485 38.2844 47.0594 37.5389 11.0648 20.8103 45.7773 23.0975 92.0481 TIMING: 1430400 CPU: 4154.83, 0.00288985/step Wall: 4154.83, 0.00288985/step, 2.86545 hours remaining, 203.820312 MB of memory in use. ENERGY: 1430400 760.1295 2122.1873 1940.1580 114.7639 -206589.8485 18257.3397 0.0000 0.0000 33965.5012 -149429.7688 296.6292 -183395.2700 -149335.6563 298.4978 181.9470 214.4709 557613.0050 2.1887 2.1548 PRESSURE: 1430600 -278.487 -96.2346 -4.45755 -96.2347 -190.884 23.9127 -4.45661 23.9122 107.828 GPRESSURE: 1430600 -210.325 -95.8455 15.0796 -58.3969 -126.641 140.34 41.214 -76.4346 70.2526 PRESSAVG: 1430600 -26.7535 14.0897 7.27031 14.0897 19.2977 -36.1775 7.2703 -36.1776 26.0333 GPRESSAVG: 1430600 -25.8754 14.6741 6.60163 12.7037 18.1401 -34.9181 8.76117 -37.1325 26.3046 TIMING: 1430600 CPU: 4155.41, 0.0029253/step Wall: 4155.41, 0.0029253/step, 2.90043 hours remaining, 203.820312 MB of memory in use. ENERGY: 1430600 763.7247 2110.9237 1939.8103 111.3821 -206395.2902 17872.1119 0.0000 0.0000 34110.2716 -149487.0658 297.8935 -183597.3374 -149378.9533 298.4866 -120.5144 -88.9046 558732.7465 6.1925 6.1898 PRESSURE: 1430800 14.995 -6.08809 -32.6097 -6.08927 257.467 -38.5162 -32.6108 -38.5166 263.929 GPRESSURE: 1430800 42.7631 -69.6524 -24.6031 63.4739 282.933 12.5243 -21.0393 -112.706 315.838 PRESSAVG: 1430800 31.0748 58.8358 -19.6542 58.8358 -2.90565 25.6166 -19.6543 25.6166 -28.3109 GPRESSAVG: 1430800 30.0374 57.8662 -21.0745 61.2547 -2.05608 24.3228 -19.5824 27.7282 -28.3995 TIMING: 1430800 CPU: 4156, 0.00291548/step Wall: 4156, 0.00291548/step, 2.89054 hours remaining, 203.820312 MB of memory in use. ENERGY: 1430800 767.2603 2089.6001 1950.3880 123.5136 -206926.0915 18399.1533 0.0000 0.0000 34249.8607 -149346.3156 299.1126 -183596.1763 -149255.9996 298.4898 178.7970 213.8447 557753.1923 -0.0473 -0.1394 PRESSURE: 1431000 -34.9543 22.0197 -68.0988 22.0195 -42.9435 -157.486 -68.0989 -157.486 -161.312 GPRESSURE: 1431000 38.8295 7.99174 -151.309 -5.25319 -16.3624 -130.148 -45.1959 -244.761 -170.779 PRESSAVG: 1431000 -24.9553 -11.3008 13.088 -11.3007 10.9488 -10.4179 13.088 -10.4179 1.34235 GPRESSAVG: 1431000 -24.9932 -12.3913 12.5941 -12.5739 12.3888 -11.7111 14.3661 -10.9198 0.530558 TIMING: 1431000 CPU: 4156.58, 0.00290915/step Wall: 4156.58, 0.00290915/step, 2.8841 hours remaining, 203.820312 MB of memory in use. ENERGY: 1431000 734.8089 2107.6699 1934.8309 111.6143 -206293.1792 17824.4753 0.0000 0.0000 34062.4745 -149517.3054 297.4761 -183579.7799 -149421.1498 298.8666 -79.7367 -49.4375 558387.2624 -4.2214 -4.0246 PRESSURE: 1431200 288.126 100.403 -89.5636 100.404 5.10042 64.1892 -89.564 64.1892 -7.05909 GPRESSURE: 1431200 268.42 160.26 -94.8166 71.9218 34.8997 34.5794 -76.8982 47.8858 72.8042 PRESSAVG: 1431200 29.1672 6.92538 47.8921 6.92539 22.8993 14.345 47.892 14.345 -28.2436 GPRESSAVG: 1431200 28.6001 9.16797 49.8508 7.84292 21.6428 14.0026 46.2188 13.6538 -26.1055 TIMING: 1431200 CPU: 4157.16, 0.00289881/step Wall: 4157.16, 0.00289881/step, 2.87368 hours remaining, 203.820312 MB of memory in use. ENERGY: 1431200 741.9954 2065.9144 1948.1411 117.2309 -206657.7043 18150.2934 0.0000 0.0000 34071.9467 -149562.1825 297.5588 -183634.1292 -149463.9466 298.4358 95.3891 125.3745 558060.7896 7.9410 8.0458 PRESSURE: 1431400 -178.928 141.671 -119.857 141.672 -46.4853 66.1066 -119.857 66.1082 -75.0101 GPRESSURE: 1431400 -115.17 151.218 -102.851 182.806 -37.5795 148.999 -150.369 -21.1661 -45.2895 PRESSAVG: 1431400 -3.97364 42.8023 -3.98389 42.8022 9.5689 -29.3188 -3.98387 -29.3187 -35.0435 GPRESSAVG: 1431400 -2.23959 40.2382 -4.22221 42.2862 8.91495 -26.9487 -3.05012 -31.0139 -36.5304 TIMING: 1431400 CPU: 4157.74, 0.00289058/step Wall: 4157.74, 0.00289058/step, 2.86537 hours remaining, 203.820312 MB of memory in use. ENERGY: 1431400 740.9504 2057.4033 1953.4007 109.1102 -206326.8841 17730.2946 0.0000 0.0000 34121.8218 -149613.9032 297.9944 -183735.7250 -149515.6584 298.4818 -100.1412 -66.0131 557378.7548 -9.8161 -9.9517 PRESSURE: 1431600 192.671 38.9808 18.0207 38.9815 313.809 22.6769 18.0199 22.6771 94.9759 GPRESSURE: 1431600 205.785 72.8874 3.622 19.4035 361.332 9.99577 8.99718 11.5543 125.837 PRESSAVG: 1431600 14.4529 0.152358 -51.974 0.152296 31.3779 -12.9126 -51.974 -12.9125 -7.24298 GPRESSAVG: 1431600 14.6215 -0.609795 -53.5668 -0.169583 30.9641 -11.5986 -52.4495 -12.8421 -6.78446 TIMING: 1431600 CPU: 4158.32, 0.00290789/step Wall: 4158.32, 0.00290789/step, 2.88237 hours remaining, 203.820312 MB of memory in use. ENERGY: 1431600 732.0947 2073.1935 1957.1810 113.1634 -207247.5728 18362.5837 0.0000 0.0000 34447.7972 -149561.5592 300.8412 -184009.3564 -149465.5460 298.1132 200.4851 230.9848 556293.0675 12.8626 12.9337 PRESSURE: 1431800 171.323 22.4443 -119.99 22.4436 -141.138 14.302 -119.991 14.3006 -270.035 GPRESSURE: 1431800 234.89 -40.1845 -100.973 94.9217 -133.384 79.8462 -159.103 -94.4594 -245.579 PRESSAVG: 1431800 -12.6656 35.7709 -30.6177 35.7709 -41.8424 -70.4243 -30.6176 -70.4242 16.603 GPRESSAVG: 1431800 -13.53 36.9749 -30.6849 36.4017 -40.4491 -71.0903 -29.5238 -70.7206 15.9513 TIMING: 1431800 CPU: 4158.9, 0.00289495/step Wall: 4158.9, 0.00289495/step, 2.86938 hours remaining, 203.820312 MB of memory in use. ENERGY: 1431800 734.7594 2135.6808 1956.8974 130.9209 -206248.5591 17703.5759 0.0000 0.0000 34074.4918 -149512.2328 297.5810 -183586.7246 -149412.1283 298.3546 -79.9499 -48.0242 557295.3371 -12.6350 -12.6759 PRESSURE: 1432000 20.0074 -11.5014 16.7598 -11.5015 78.5983 0.56693 16.7596 0.567434 -18.3521 GPRESSURE: 1432000 58.059 -62.0587 -15.7629 -36.4904 93.908 59.9177 -25.2705 35.249 28.4297 PRESSAVG: 1432000 13.8925 -12.2549 -6.73653 -12.2549 37.4691 3.38691 -6.73648 3.38694 -36.7349 GPRESSAVG: 1432000 14.3047 -13.0406 -7.51215 -12.2359 36.9122 2.9196 -8.11048 3.42418 -36.3209 TIMING: 1432000 CPU: 4159.47, 0.0028878/step Wall: 4159.47, 0.00288781/step, 2.86214 hours remaining, 203.820312 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: 1432000 745.1149 2127.1839 1922.8045 118.6198 -206571.0960 18091.0510 0.0000 0.0000 34327.8018 -149238.5202 299.7932 -183566.3219 -149157.2687 299.2584 26.7512 60.1322 559934.4630 4.8756 4.9653 PRESSURE: 1432200 -73.7615 -140.797 61.402 -140.797 67.9465 30.0209 61.4016 30.0204 -14.614 GPRESSURE: 1432200 -63.3334 -248.201 60.2242 -133.084 105.418 -58.5269 57.6941 132.781 32.6853 PRESSAVG: 1432200 -7.63198 -28.965 46.0997 -28.965 -21.0663 7.6826 46.0996 7.68273 48.6575 GPRESSAVG: 1432200 -7.68762 -28.9523 47.4712 -29.923 -21.0464 6.62386 46.3733 9.82691 49.2603 TIMING: 1432200 CPU: 4160.05, 0.00289748/step Wall: 4160.05, 0.00289748/step, 2.87157 hours remaining, 203.820312 MB of memory in use. ENERGY: 1432200 727.4801 2108.8934 1919.5068 112.1731 -206588.7361 17961.1503 0.0000 0.0000 34346.6043 -149412.9281 299.9574 -183759.5324 -149318.0735 298.7919 -6.8097 24.9234 559021.8414 6.6531 6.8421 LDB: ============= START OF LOAD BALANCING ============== 4163.52 LDB: ============== END OF LOAD BALANCING =============== 4163.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4163.52 LDB: ============= START OF LOAD BALANCING ============== 4163.82 LDB: Largest compute 4821 load 0.030012 is 25.5% of average load 0.117650 LDB: Average compute 0.001737 is 1.5% of average load 0.117650 LDB: TIME 4163.82 LOAD: AVG 0.11765 MAX 0.177107 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.387 MB LDB: TIME 4163.82 LOAD: AVG 0.11765 MAX 0.177107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.59 MB LDB: TIME 4163.82 LOAD: AVG 0.11765 MAX 0.177107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4163.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4163.82 PRESSURE: 1432400 -278.122 10.4365 -68.3128 10.4371 -443.257 146.51 -68.3136 146.512 73.5416 GPRESSURE: 1432400 -199.685 37.3162 -88.6241 -5.02285 -415.594 112.309 -82.9853 162.817 67.727 PRESSAVG: 1432400 -13.9495 -47.869 14.2789 -47.869 8.35648 37.8074 14.2789 37.8073 31.6258 GPRESSAVG: 1432400 -14.4095 -48.3457 13.0643 -46.9194 9.30102 38.2321 14.244 36.6655 30.7387 TIMING: 1432400 CPU: 4160.65, 0.00297789/step Wall: 4160.65, 0.00297789/step, 2.95109 hours remaining, 204.128906 MB of memory in use. ENERGY: 1432400 766.6679 2131.5703 1938.6334 118.4245 -206300.5672 17821.9547 0.0000 0.0000 34091.3694 -149431.9471 297.7284 -183523.3164 -149333.5810 299.0268 -215.9458 -182.5173 557850.2069 8.6776 8.5434 PRESSURE: 1432600 -376.933 4.50919 67.5046 4.50922 -5.77731 -16.5132 67.5041 -16.5112 -42.3909 GPRESSURE: 1432600 -325.457 51.0816 157.557 -15.7176 32.7768 34.0566 51.8795 -98.2244 -33.915 PRESSAVG: 1432600 -15.9892 -7.81369 44.4041 -7.81369 18.4957 21.513 44.4041 21.5129 10.46 GPRESSAVG: 1432600 -14.8786 -4.80915 45.4355 -9.40291 16.8795 23.2313 45.4519 22.3745 10.6603 TIMING: 1432600 CPU: 4161.24, 0.00292973/step Wall: 4161.24, 0.00292973/step, 2.9032 hours remaining, 204.332031 MB of memory in use. ENERGY: 1432600 762.4153 2076.8311 1942.9126 118.6319 -206166.3260 17519.1476 0.0000 0.0000 34365.7069 -149380.6806 300.1243 -183746.3875 -149285.9667 299.1703 -141.7003 -108.8652 556946.6880 4.3222 4.2204 PRESSURE: 1432800 143.2 114.231 53.1681 114.231 237.465 -57.0459 53.1684 -57.0454 188.447 GPRESSURE: 1432800 124.447 111.007 39.0762 93.7991 287.444 -52.4777 36.8224 9.55594 253.343 PRESSAVG: 1432800 -62.9427 36.6 12.6504 36.6 48.5518 0.464576 12.6503 0.464791 21.2942 GPRESSAVG: 1432800 -62.7602 36.461 10.9004 35.9562 47.8469 -0.35935 12.1622 -0.487563 21.4641 TIMING: 1432800 CPU: 4161.82, 0.0029119/step Wall: 4161.82, 0.0029119/step, 2.88537 hours remaining, 204.332031 MB of memory in use. ENERGY: 1432800 731.9276 2138.0295 1975.7411 110.7693 -206804.4419 18089.0349 0.0000 0.0000 34402.8133 -149356.1263 300.4483 -183758.9396 -149255.7628 298.9025 189.7042 221.7444 554677.5064 2.3011 2.1836 PRESSURE: 1433000 -200.933 -171.973 72.6251 -171.973 70.5607 -38.5756 72.6259 -38.5747 -82.4095 GPRESSURE: 1433000 -124.958 -170.791 -9.66638 -179.339 62.696 -8.17085 130.878 -35.7241 -72.5148 PRESSAVG: 1433000 4.13479 59.9052 11.0479 59.9052 34.4584 4.01883 11.0478 4.01885 -32.336 GPRESSAVG: 1433000 3.89522 58.5322 11.1724 61.2791 36.7465 4.76284 10.519 3.17043 -34.3005 TIMING: 1433000 CPU: 4162.39, 0.00288031/step Wall: 4162.39, 0.00288031/step, 2.8539 hours remaining, 204.332031 MB of memory in use. ENERGY: 1433000 757.1611 2114.9945 1919.9377 113.1215 -206039.9399 17714.6889 0.0000 0.0000 34192.9394 -149227.0968 298.6154 -183420.0362 -149130.8560 298.7267 -70.9272 -44.9256 558011.8042 2.0857 2.1137 PRESSURE: 1433200 240.403 157.502 -28.6753 157.503 -117.532 -49.7268 -28.6752 -49.7266 -8.16319 GPRESSURE: 1433200 248.38 152.736 -55.9752 103.555 -57.3778 -91.3272 -63.7851 -23.8124 18.4568 PRESSAVG: 1433200 20.3299 79.9888 29.5222 79.9888 -31.0895 18.4251 29.5223 18.4252 0.817848 GPRESSAVG: 1433200 19.0656 80.9408 28.5066 79.2078 -31.0968 16.5996 29.6042 19.3223 1.51605 TIMING: 1433200 CPU: 4162.97, 0.00289438/step Wall: 4162.97, 0.00289438/step, 2.86769 hours remaining, 204.332031 MB of memory in use. ENERGY: 1433200 712.3417 2100.9612 1967.0379 127.1417 -206089.6089 17812.0680 0.0000 0.0000 34467.3104 -148902.7480 301.0116 -183370.0584 -148808.5739 299.3002 38.2359 69.8195 558445.9296 -3.3139 -3.5051 PRESSURE: 1433400 342.753 -32.2522 146.476 -32.2518 4.59355 -210.803 146.477 -210.803 277.515 GPRESSURE: 1433400 403.716 -3.39318 96.6578 -104.55 45.4671 -147.16 157.088 -188.361 267.366 PRESSAVG: 1433400 29.1151 24.2841 -3.64465 24.2841 58.9108 -76.4624 -3.64461 -76.4624 -21.0993 GPRESSAVG: 1433400 30.013 25.5909 -1.67693 24.6069 57.5413 -74.643 -3.17519 -77.7064 -20.3243 TIMING: 1433400 CPU: 4163.55, 0.00288076/step Wall: 4163.55, 0.00288076/step, 2.85403 hours remaining, 204.332031 MB of memory in use. ENERGY: 1433400 739.4169 2148.2430 1936.2959 118.3699 -206090.8366 17957.2165 0.0000 0.0000 34245.0014 -148946.2931 299.0701 -183191.2944 -148851.1634 299.9011 208.2872 238.8498 557785.1187 22.3089 22.4100 PRESSURE: 1433600 -458.638 -11.0416 17.893 -11.0425 -129.717 62.3876 17.8928 62.3872 243.717 GPRESSURE: 1433600 -367.635 24.3644 -20.7468 -48.6757 -125.247 26.1623 53.3458 36.2605 253.003 PRESSAVG: 1433600 21.4826 -9.61433 -32.9201 -9.61433 -18.7346 -16.8556 -32.9201 -16.8555 -11.876 GPRESSAVG: 1433600 21.3923 -12.1626 -32.7846 -8.18958 -18.1252 -17.3719 -33.3579 -16.3802 -12.5925 TIMING: 1433600 CPU: 4164.13, 0.00288296/step Wall: 4164.13, 0.00288296/step, 2.85605 hours remaining, 204.332031 MB of memory in use. ENERGY: 1433600 724.3735 2171.9371 1929.8088 112.4090 -205856.5697 17553.9160 0.0000 0.0000 34405.1710 -148958.9542 300.4689 -183364.1252 -148859.5366 300.5927 -114.8795 -79.9594 557934.1459 -3.0427 -3.1085 PRESSURE: 1433800 15.9413 211.144 84.6906 211.145 -248.026 -76.2735 84.6903 -76.2743 -159.514 GPRESSURE: 1433800 43.3764 175.705 38.1175 230.439 -260.192 -44.6753 132.208 -93.4975 -93.4124 PRESSAVG: 1433800 -51.7375 -10.4868 -2.02589 -10.4868 -8.1002 -14.8258 -2.02589 -14.8258 23.5039 GPRESSAVG: 1433800 -52.3556 -11.4879 -3.82679 -10.9966 -8.96947 -15.0692 -0.194715 -14.5992 24.2693 TIMING: 1433800 CPU: 4164.7, 0.00289163/step Wall: 4164.7, 0.00289163/step, 2.86448 hours remaining, 204.332031 MB of memory in use. ENERGY: 1433800 731.1345 2140.4740 1954.0229 116.4163 -205608.5364 17457.9932 0.0000 0.0000 34112.6426 -149095.8529 297.9142 -183208.4954 -148998.3374 299.3562 -130.5329 -103.4095 558444.2584 -12.1113 -12.3519 PRESSURE: 1434000 -132.255 76.2475 141.21 76.2466 -2.15546 2.94005 141.211 2.93984 -16.1732 GPRESSURE: 1434000 -98.7696 74.7861 157.418 50.3732 31.994 -49.8403 57.1002 14.9113 7.67241 PRESSAVG: 1434000 38.2695 10.0093 17.7081 10.0093 28.6955 39.7887 17.7081 39.7888 -27.1203 GPRESSAVG: 1434000 38.3568 10.8907 18.1731 9.22877 28.9724 40.4559 16.6901 40.2904 -27.4665 TIMING: 1434000 CPU: 4165.28, 0.0029004/step Wall: 4165.28, 0.0029004/step, 2.87301 hours remaining, 204.332031 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: 1434000 700.6813 2132.4034 1918.1437 117.0201 -205968.9148 17681.3414 0.0000 0.0000 34413.0101 -149006.3148 300.5374 -183419.3249 -148909.9324 299.1638 -50.1946 -19.7011 558779.5130 13.2816 13.2876 PRESSURE: 1434200 -316.658 -67.3799 18.785 -67.3802 -133.541 -104.413 18.7848 -104.411 -107.121 GPRESSURE: 1434200 -247.512 -2.90085 -33.1196 -53.1068 -137.132 -144.557 67.4376 -70.4718 -55.3769 PRESSAVG: 1434200 -10.6243 33.2359 -7.53569 33.2359 17.6093 -15.2292 -7.53566 -15.2291 6.57612 GPRESSAVG: 1434200 -9.74295 31.3788 -5.12632 34.0114 17.0938 -17.321 -8.11537 -13.9596 6.46785 TIMING: 1434200 CPU: 4165.86, 0.00288696/step Wall: 4165.86, 0.00288696/step, 2.85954 hours remaining, 204.531250 MB of memory in use. ENERGY: 1434200 793.4806 2050.0476 1946.6385 111.7339 -205811.5369 17598.1540 0.0000 0.0000 34192.9216 -149118.5607 298.6153 -183311.4823 -149024.1314 299.9316 -185.7735 -146.6736 557410.8889 4.5204 4.6062 PRESSURE: 1434400 -38.2226 -158.611 -109.511 -158.61 -126.523 -6.2339 -109.51 -6.23338 110.902 GPRESSURE: 1434400 -39.4026 -111.266 -105.435 -188.977 -88.0348 -74.7714 -128.976 8.70275 172.849 PRESSAVG: 1434400 -7.37849 -50.8314 -8.63416 -50.8314 -56.0796 38.9019 -8.63414 38.9018 18.2594 GPRESSAVG: 1434400 -8.24642 -51.8421 -9.05628 -50.4462 -55.4669 39.2552 -9.35329 37.5196 18.8926 TIMING: 1434400 CPU: 4166.44, 0.00290597/step Wall: 4166.44, 0.00290597/step, 2.8782 hours remaining, 204.531250 MB of memory in use. ENERGY: 1434400 759.3750 2069.7919 1924.3280 122.4914 -206248.5545 17939.5381 0.0000 0.0000 34135.2515 -149297.7784 298.1116 -183433.0299 -149206.5741 298.9131 -17.9477 15.1372 556951.1805 -15.0662 -14.9403 PRESSURE: 1434600 196.411 -35.4984 43.3298 -35.5001 148.997 -42.8742 43.3304 -42.8723 -123.348 GPRESSURE: 1434600 184.93 8.85619 129.375 -49.4406 154.661 11.372 -11.1349 -43.0173 -10.3253 PRESSAVG: 1434600 25.2703 -55.1807 -41.0313 -55.1808 -17.3211 76.8498 -41.0313 76.8498 -0.570276 GPRESSAVG: 1434600 25.4277 -52.9715 -41.4226 -56.559 -16.8276 79.2601 -40.0878 74.9001 -0.667622 TIMING: 1434600 CPU: 4167.02, 0.00289733/step Wall: 4167.02, 0.00289733/step, 2.86948 hours remaining, 204.531250 MB of memory in use. ENERGY: 1434600 738.0152 2067.5175 1945.1561 112.9982 -206516.5657 17977.7207 0.0000 0.0000 34368.9060 -149306.2521 300.1522 -183675.1580 -149205.2259 298.7756 74.0198 109.7552 556853.0921 2.4596 2.6442 PRESSURE: 1434800 -206.106 -20.1122 -49.5882 -20.1105 -78.1024 178.234 -49.5879 178.235 35.3587 GPRESSURE: 1434800 -183.642 -83.6964 -54.7944 50.82 -21.8526 194.981 -2.75387 169.787 38.9878 PRESSAVG: 1434800 102.941 -21.1152 4.64512 -21.1153 -26.8437 63.1408 4.64495 63.1408 -44.242 GPRESSAVG: 1434800 102.866 -19.8419 3.52175 -20.1293 -26.4165 63.4746 6.09377 63.1634 -45.4169 TIMING: 1434800 CPU: 4167.6, 0.00290414/step Wall: 4167.6, 0.00290414/step, 2.87607 hours remaining, 204.531250 MB of memory in use. ENERGY: 1434800 744.7265 2135.7596 1929.0460 118.1786 -206140.2606 17727.9022 0.0000 0.0000 34217.6536 -149266.9942 298.8313 -183484.6478 -149168.1208 299.3143 -82.9499 -55.5021 558376.6696 10.6186 10.3440 PRESSURE: 1435000 -70.7008 154.609 17.3998 154.61 -188.732 -113.325 17.3995 -113.324 52.6855 GPRESSURE: 1435000 -95.1843 93.7968 -76.2087 148.206 -98.614 -91.3087 34.1229 -176.374 97.3395 PRESSAVG: 1435000 28.9318 -29.896 -11.2527 -29.896 -32.5394 31.2843 -11.2527 31.2844 5.23203 GPRESSAVG: 1435000 29.6518 -31.9739 -10.1836 -29.7714 -33.5745 29.7848 -12.8315 32.7123 6.20183 TIMING: 1435000 CPU: 4168.18, 0.00287598/step Wall: 4168.18, 0.00287598/step, 2.84802 hours remaining, 204.734375 MB of memory in use. ENERGY: 1435000 747.0641 2068.1055 1965.4712 126.1351 -206045.2312 17816.5748 0.0000 0.0000 34299.2738 -149022.6065 299.5441 -183321.8804 -148916.7324 299.4432 -68.9156 -32.1529 558138.0773 0.5415 0.7597 PRESSURE: 1435200 12.8268 -17.4004 -14.8004 -17.4012 222.446 9.9085 -14.8006 9.90728 -22.9554 GPRESSURE: 1435200 37.3578 3.66254 -37.7956 -56.571 207.767 30.366 73.1069 83.3223 58.5532 PRESSAVG: 1435200 -31.5947 25.8054 28.3698 25.8053 75.02 24.1415 28.3698 24.1415 -39.5725 GPRESSAVG: 1435200 -31.5026 25.3573 28.2197 24.988 74.5104 24.7033 29.1404 23.0343 -39.269 TIMING: 1435200 CPU: 4168.75, 0.00287759/step Wall: 4168.75, 0.00287759/step, 2.84945 hours remaining, 204.734375 MB of memory in use. ENERGY: 1435200 741.3085 2101.0559 1937.4297 115.2168 -205848.5088 17722.4063 0.0000 0.0000 34294.5326 -148936.5589 299.5027 -183231.0915 -148838.1822 300.4099 70.7724 101.2260 557407.9586 1.2843 1.2462 PRESSURE: 1435400 -4.51099 -40.8599 -50.7251 -40.8598 102.168 -46.8195 -50.7253 -46.8189 -325.684 GPRESSURE: 1435400 32.3501 -49.8769 -7.23084 -46.6299 135.057 -21.8512 -129.853 -72.7786 -298.567 PRESSAVG: 1435400 28.7732 -8.99871 -58.7019 -8.99879 8.76875 29.3927 -58.7018 29.3927 -58.8883 GPRESSAVG: 1435400 27.6498 -8.62273 -59.1668 -8.09928 9.66925 28.9384 -59.5176 31.4137 -58.7105 TIMING: 1435400 CPU: 4169.33, 0.00288791/step Wall: 4169.33, 0.00288791/step, 2.85951 hours remaining, 204.734375 MB of memory in use. ENERGY: 1435400 734.8773 2064.0757 1958.5227 129.4196 -206051.9437 17801.3100 0.0000 0.0000 34215.5602 -149148.1782 298.8130 -183363.7384 -149054.1466 300.1413 -76.0090 -43.7202 558718.7567 -7.1154 -7.1305 PRESSURE: 1435600 -75.0719 -111.721 -27.1018 -111.722 -261.874 60.1474 -27.1027 60.1483 -316.963 GPRESSURE: 1435600 -105.1 -100.714 -119.131 -147.932 -212.874 90.2754 -14.1603 106.587 -241.527 PRESSAVG: 1435600 -6.37585 -3.78887 53.0562 -3.78892 -15.4184 -31.7804 53.0561 -31.7806 -1.05188 GPRESSAVG: 1435600 -4.75681 -2.58623 54.0572 -4.2999 -16.2739 -31.0467 53.3424 -32.4106 -1.5764 TIMING: 1435600 CPU: 4169.91, 0.00288652/step Wall: 4169.91, 0.00288653/step, 2.85798 hours remaining, 204.734375 MB of memory in use. ENERGY: 1435600 747.8217 2120.1904 1966.0612 117.9315 -205861.8973 17523.7797 0.0000 0.0000 34357.6963 -149028.4165 300.0543 -183386.1128 -148929.6284 299.5148 -217.9697 -186.5003 558400.6066 -7.6154 -7.5357 PRESSURE: 1435800 273.055 5.15266 -90.6933 5.15319 120.031 17.4967 -90.6929 17.4958 132.012 GPRESSURE: 1435800 320.075 16.7203 -36.0883 40.2574 122.41 -28.2526 -167.944 43.7809 176.163 PRESSAVG: 1435800 50.2015 20.9187 -25.933 20.9188 27.1508 -6.18393 -25.933 -6.18381 -15.5425 GPRESSAVG: 1435800 49.6412 20.1238 -25.5574 20.9887 27.7286 -5.76488 -24.8433 -6.13264 -14.9782 TIMING: 1435800 CPU: 4170.48, 0.00287855/step Wall: 4170.48, 0.00287855/step, 2.84993 hours remaining, 204.734375 MB of memory in use. ENERGY: 1435800 693.9934 2121.6973 1918.7982 110.9756 -206385.5266 18120.6758 0.0000 0.0000 34426.4078 -148992.9786 300.6544 -183419.3863 -148892.8014 299.6564 175.0327 206.2160 559393.4148 20.6033 20.7972 PRESSURE: 1436000 -4.77783 -20.4016 -98.2265 -20.4006 -202.586 54.634 -98.2248 54.6349 136.015 GPRESSURE: 1436000 31.664 -25.5503 -102.113 -60.8506 -192.59 0.169073 -106.781 50.7769 159.006 PRESSAVG: 1436000 -19.1805 29.2384 31.976 29.2384 -18.0102 45.3106 31.976 45.3105 30.8152 GPRESSAVG: 1436000 -19.0351 29.5942 32.3801 30.3326 -18.4724 43.8373 31.7679 45.2767 31.1405 TIMING: 1436000 CPU: 4171.06, 0.00288421/step Wall: 4171.06, 0.00288421/step, 2.85537 hours remaining, 204.734375 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: 1436000 761.1294 2110.2213 1939.6429 127.1788 -205967.6915 17820.1907 0.0000 0.0000 34112.6112 -149096.7171 297.9139 -183209.3283 -149004.9781 299.3110 -23.7830 -0.6402 559617.4901 -2.1252 -2.1224 PRESSURE: 1436200 -302.866 -141.18 -29.7358 -141.179 -71.1145 5.79203 -29.735 5.79357 96.5859 GPRESSURE: 1436200 -257.828 -143.422 -80.9504 -85.558 0.62307 -110.769 -67.5479 91.6092 74.4862 PRESSAVG: 1436200 -33.892 0.849909 18.6178 0.849891 -6.01066 40.8607 18.6178 40.8608 31.6722 GPRESSAVG: 1436200 -33.3561 1.53862 18.2398 -0.400198 -5.43638 40.5527 17.5207 40.5325 30.8797 TIMING: 1436200 CPU: 4171.63, 0.00286097/step Wall: 4171.63, 0.00286097/step, 2.8322 hours remaining, 204.734375 MB of memory in use. ENERGY: 1436200 719.2088 2100.7756 1955.9195 114.5885 -206094.0653 17626.3168 0.0000 0.0000 34539.6073 -149037.6487 301.6430 -183577.2560 -148946.5194 300.1159 -92.4649 -60.9063 557403.5178 -2.7435 -2.6376 LDB: ============= START OF LOAD BALANCING ============== 4175.1 LDB: ============== END OF LOAD BALANCING =============== 4175.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4175.1 LDB: ============= START OF LOAD BALANCING ============== 4175.39 LDB: Largest compute 4821 load 0.029451 is 25.0% of average load 0.117617 LDB: Average compute 0.001734 is 1.5% of average load 0.117617 LDB: TIME 4175.39 LOAD: AVG 0.117617 MAX 0.177643 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.875 MB LDB: TIME 4175.39 LOAD: AVG 0.117617 MAX 0.177643 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.949 MB LDB: TIME 4175.39 LOAD: AVG 0.117617 MAX 0.177643 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4175.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4175.4 PRESSURE: 1436400 16.2343 9.52157 68.6016 9.52135 18.4893 58.6287 68.6015 58.6279 -139.879 GPRESSURE: 1436400 -20.3182 34.8313 93.5986 -25.8694 82.9897 112.823 17.7861 -38.8214 -71.079 PRESSAVG: 1436400 7.62197 -12.1361 -3.08899 -12.1361 -0.897415 48.2926 -3.08903 48.2927 -18.5028 GPRESSAVG: 1436400 7.57106 -12.7171 -2.62113 -11.2352 -1.98664 50.0443 -2.45952 47.8666 -17.7992 TIMING: 1436400 CPU: 4172.22, 0.0029518/step Wall: 4172.22, 0.0029518/step, 2.92196 hours remaining, 206.960938 MB of memory in use. ENERGY: 1436400 775.2659 2099.8958 1941.3207 118.3349 -205854.0583 17506.6504 0.0000 0.0000 34322.1784 -149090.4122 299.7441 -183412.5906 -148989.5219 299.5720 -35.0518 -2.8025 555719.4352 -3.9261 -4.0716 PRESSURE: 1436600 -330.06 3.21618 95.6778 3.21638 -282.302 24.568 95.6772 24.5669 16.0873 GPRESSURE: 1436600 -304.255 77.223 115.924 -38.6165 -264.92 11.3984 90.8409 37.6401 69.8444 PRESSAVG: 1436600 -55.8781 -19.549 -43.4788 -19.549 -27.3596 47.3295 -43.4788 47.3295 80.7741 GPRESSAVG: 1436600 -57.0837 -21.9043 -43.5599 -18.7197 -26.4838 46.0864 -42.7995 49.4064 81.7364 TIMING: 1436600 CPU: 4172.8, 0.00289668/step Wall: 4172.8, 0.00289668/step, 2.86723 hours remaining, 207.500000 MB of memory in use. ENERGY: 1436600 727.7559 2129.3500 1945.9184 116.9447 -205653.3274 17409.7440 0.0000 0.0000 34265.4650 -149058.1496 299.2488 -183323.6145 -148956.2392 299.4044 -198.7581 -166.4437 556981.0838 -0.8212 -0.6104 PRESSURE: 1436800 -113.226 -145.431 -68.3123 -145.431 4.68657 122.902 -68.3129 122.9 -35.6338 GPRESSURE: 1436800 0.88454 -29.4293 -30.7201 -195.316 -46.0974 133.204 -23.5011 47.9471 -9.66103 PRESSAVG: 1436800 -47.8587 -4.31119 -22.9104 -4.31116 39.856 48.7363 -22.9104 48.7364 11.0602 GPRESSAVG: 1436800 -46.3659 -2.39915 -24.393 -4.29272 40.2085 49.712 -21.5217 47.5396 9.3357 TIMING: 1436800 CPU: 4173.38, 0.00288254/step Wall: 4173.38, 0.00288254/step, 2.85307 hours remaining, 207.500000 MB of memory in use. ENERGY: 1436800 780.4750 2043.5445 1945.5101 120.7891 -206055.5248 17677.3738 0.0000 0.0000 34362.0913 -149125.7411 300.0927 -183487.8324 -149033.4969 299.0277 -48.0576 -18.2913 556844.0903 1.0192 1.0594 PRESSURE: 1437000 13.0488 -64.4241 87.6596 -64.4227 105.394 143.725 87.6577 143.727 -6.15957 GPRESSURE: 1437000 49.0225 -109.019 -23.7365 7.36293 118.024 116.395 133.761 132.4 41.7765 PRESSAVG: 1437000 -46.7107 -44.9257 -15.5043 -44.9256 27.359 50.1112 -15.5044 50.1112 -52.3464 GPRESSAVG: 1437000 -46.8541 -45.673 -15.1698 -43.746 26.5105 49.6489 -17.1726 49.9154 -50.9788 TIMING: 1437000 CPU: 4173.96, 0.00289217/step Wall: 4173.96, 0.00289217/step, 2.86245 hours remaining, 207.500000 MB of memory in use. ENERGY: 1437000 723.9151 2072.4726 1935.5688 107.4639 -206050.0920 17780.1182 0.0000 0.0000 34324.9213 -149105.6321 299.7681 -183430.5534 -149012.1715 299.0545 37.4278 69.6079 557578.8220 -23.8994 -23.7741 PRESSURE: 1437200 89.4231 104.01 -147.187 104.01 -203.75 79.0516 -147.187 79.052 14.0041 GPRESSURE: 1437200 106.619 138.973 -120.72 64.0947 -126.358 28.8599 -88.9437 96.0558 23.7479 PRESSAVG: 1437200 -28.9002 9.89031 -46.385 9.89034 91.9914 18.9574 -46.385 18.9576 -22.8812 GPRESSAVG: 1437200 -28.3758 10.8576 -47.9585 6.75592 92.2871 17.8347 -44.4866 19.9959 -23.1276 TIMING: 1437200 CPU: 4174.54, 0.00290984/step Wall: 4174.54, 0.00290984/step, 2.87977 hours remaining, 207.500000 MB of memory in use. ENERGY: 1437200 747.9564 2132.3449 1957.0325 113.5161 -206096.6279 17715.4278 0.0000 0.0000 34248.5034 -149181.8468 299.1007 -183430.3502 -149090.3772 299.6459 -33.4408 1.3363 557949.4402 13.4034 13.5946 PRESSURE: 1437400 96.437 -27.1473 -84.4743 -27.1496 -160.853 -10.331 -84.4729 -10.3311 -94.4057 GPRESSURE: 1437400 155.657 -16.6047 -51.7455 -49.1283 -221.445 -40.9424 -47.6454 33.2439 4.40864 PRESSAVG: 1437400 -36.0224 12.0961 -23.227 12.096 -30.0969 -17.8913 -23.2269 -17.8912 10.2336 GPRESSAVG: 1437400 -34.6798 11.4309 -21.1868 12.8289 -30.9896 -15.915 -26.308 -17.7882 9.99971 TIMING: 1437400 CPU: 4175.12, 0.00290537/step Wall: 4175.12, 0.00290537/step, 2.87518 hours remaining, 207.500000 MB of memory in use. ENERGY: 1437400 741.6593 2080.4475 1950.8639 122.3303 -205946.1904 17489.0207 0.0000 0.0000 34251.4707 -149310.3979 299.1266 -183561.8686 -149212.8753 299.6924 -52.9407 -20.4597 555319.2419 -18.6285 -18.5565 PRESSURE: 1437600 205.142 48.0529 -103.998 48.0522 -136.831 -73.0127 -103.998 -73.0151 167.786 GPRESSURE: 1437600 274.385 78.7521 -149.003 31.621 -122.407 -99.3915 -101.595 5.88536 183.801 PRESSAVG: 1437600 4.69194 10.8761 -9.90605 10.8762 -59.5725 8.07247 -9.90609 8.07255 83.1512 GPRESSAVG: 1437600 3.95335 11.4298 -10.9036 12.9442 -59.1351 6.91082 -9.0991 9.49144 83.8418 TIMING: 1437600 CPU: 4175.7, 0.00290418/step Wall: 4175.7, 0.00290418/step, 2.87384 hours remaining, 207.500000 MB of memory in use. ENERGY: 1437600 707.1653 2111.5229 1944.3119 102.7407 -206059.2706 17667.7757 0.0000 0.0000 34269.3369 -149256.4172 299.2826 -183525.7541 -149157.2025 299.3551 78.6990 111.9263 554539.8829 9.4236 9.5533 PRESSURE: 1437800 -65.3908 65.3791 -18.1527 65.3795 -138.937 -14.0618 -18.1527 -14.0628 -35.4467 GPRESSURE: 1437800 -22.4826 170.184 75.6882 23.8129 -154.752 -66.2499 -37.7169 -49.6175 26.2964 PRESSAVG: 1437800 9.89431 59.0535 -27.6604 59.0536 -42.4944 6.64739 -27.6603 6.64757 77.6433 GPRESSAVG: 1437800 10.3411 59.8893 -25.9513 57.6344 -41.8123 6.16275 -27.5524 3.87327 76.7539 TIMING: 1437800 CPU: 4176.28, 0.00289016/step Wall: 4176.28, 0.00289016/step, 2.85982 hours remaining, 207.500000 MB of memory in use. ENERGY: 1437800 742.4445 2086.4784 1955.8930 107.7692 -205767.5182 17461.2307 0.0000 0.0000 34075.2507 -149338.4516 297.5876 -183413.7024 -149240.2848 298.9972 -79.9248 -50.3126 555849.1038 15.0144 15.0942 PRESSURE: 1438000 -76.2832 -59.4003 -29.6754 -59.4017 150.22 -2.48916 -29.6767 -2.4912 40.7509 GPRESSURE: 1438000 -32.6362 -55.9455 -30.6007 -19.8546 168.586 -49.2911 5.97277 -42.863 75.9475 PRESSAVG: 1438000 -8.84659 -33.9438 -19.9073 -33.9438 -12.7766 -5.2781 -19.9073 -5.27809 32.9706 GPRESSAVG: 1438000 -9.46137 -34.3742 -21.5293 -34.4653 -14.018 -6.14442 -18.7545 -3.61988 34.8752 TIMING: 1438000 CPU: 4176.86, 0.00287759/step Wall: 4176.86, 0.00287759/step, 2.84722 hours remaining, 207.500000 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: 1438000 750.7199 2112.5624 1950.1823 124.9922 -206175.1348 17709.9744 0.0000 0.0000 34299.4292 -149227.2744 299.5454 -183526.7036 -149137.4452 299.2535 38.2293 70.6324 555854.5147 3.7825 3.7986 PRESSURE: 1438200 -210.325 -149.014 -165.338 -149.013 -50.0757 -158.556 -165.338 -158.555 -7.61107 GPRESSURE: 1438200 -131.585 -60.6062 -152.029 -224.353 -28.2608 -166.054 -146.378 -157.656 -8.94784 PRESSAVG: 1438200 38.1085 -36.8746 -0.487075 -36.8747 -36.5581 33.5538 -0.486934 33.5539 5.82915 GPRESSAVG: 1438200 38.3468 -37.289 0.535703 -36.0139 -36.4151 37.0401 -1.06564 30.4061 4.77793 TIMING: 1438200 CPU: 4177.43, 0.00288679/step Wall: 4177.43, 0.00288679/step, 2.85615 hours remaining, 207.500000 MB of memory in use. ENERGY: 1438200 802.3252 2109.9261 1993.2723 99.8754 -206274.0409 17807.8296 0.0000 0.0000 34167.9059 -149292.9064 298.3968 -183460.8123 -149192.9546 299.0240 -89.3373 -56.2645 557279.3528 2.4599 2.2365 PRESSURE: 1438400 -110.331 -144.433 72.46 -144.433 -274.872 111.233 72.4598 111.232 -13.9649 GPRESSURE: 1438400 -102.526 -182.81 4.08023 -66.0417 -230.596 94.6639 82.0582 140.242 14.4148 PRESSAVG: 1438400 41.0697 -41.0133 -40.8414 -41.0134 24.9093 -20.4306 -40.8415 -20.4306 -35.0911 GPRESSAVG: 1438400 40.2781 -40.112 -41.5474 -41.7117 26.086 -22.1654 -40.8259 -17.6667 -35.9434 TIMING: 1438400 CPU: 4178.01, 0.00288843/step Wall: 4178.01, 0.00288843/step, 2.85762 hours remaining, 207.500000 MB of memory in use. ENERGY: 1438400 781.3150 2076.8008 1937.9505 111.0705 -206327.5681 17768.6224 0.0000 0.0000 34287.4040 -149364.4049 299.4404 -183651.8089 -149258.6612 299.4170 -133.0562 -106.2358 557990.1372 10.2960 10.1402 PRESSURE: 1438600 112.277 -13.5137 -23.5591 -13.5135 8.85132 -128.29 -23.5604 -128.289 -147.733 GPRESSURE: 1438600 133.973 2.74246 -16.5157 3.82875 -13.9747 -143.451 -55.6705 -117.322 -45.357 PRESSAVG: 1438600 -101.917 -11.1337 -37.1848 -11.1338 3.02655 6.39269 -37.1848 6.39267 29.7421 GPRESSAVG: 1438600 -101.671 -13.3936 -35.718 -10.9108 2.50443 7.68493 -38.6306 6.56821 30.0451 TIMING: 1438600 CPU: 4178.59, 0.00292032/step Wall: 4178.59, 0.00292032/step, 2.88901 hours remaining, 207.500000 MB of memory in use. ENERGY: 1438600 745.8168 2053.0379 1936.8490 118.4099 -206467.4639 17860.4912 0.0000 0.0000 34178.8203 -149574.0388 298.4921 -183752.8590 -149477.2636 298.5220 -8.8685 24.8803 558164.3376 -23.0496 -23.0404 PRESSURE: 1438800 110.669 35.1198 8.25856 35.1192 -140.002 16.1028 8.25985 16.1044 -71.0029 GPRESSURE: 1438800 118.95 49.2536 14.7754 43.8103 -75.9891 -9.99893 -78.1207 59.4053 -53.0841 PRESSAVG: 1438800 15.4882 -33.0471 -35.0356 -33.0471 -12.7393 -32.7688 -35.0356 -32.7688 -1.48185 GPRESSAVG: 1438800 15.5463 -30.6476 -36.3746 -33.0808 -12.8464 -34.153 -33.5353 -32.4861 -1.7188 TIMING: 1438800 CPU: 4179.17, 0.00290026/step Wall: 4179.17, 0.00290026/step, 2.869 hours remaining, 207.500000 MB of memory in use. ENERGY: 1438800 758.6044 2170.7733 1949.8680 107.7423 -206650.9359 18002.1058 0.0000 0.0000 34268.2696 -149393.5725 299.2733 -183661.8421 -149293.1306 298.2126 -33.4453 -3.3745 558134.2473 0.4223 0.3270 PRESSURE: 1439000 222.533 -59.1232 115.037 -59.124 -72.5634 55.792 115.037 55.7934 -47.9568 GPRESSURE: 1439000 190.075 -43.3328 148.285 -47.9872 -7.83902 123.67 14.7204 89.824 23.9886 PRESSAVG: 1439000 26.4135 -44.4117 -6.3412 -44.4117 -35.7028 7.58132 -6.34116 7.5814 53.0165 GPRESSAVG: 1439000 25.3946 -44.9741 -5.52689 -43.6672 -35.2195 7.31121 -6.80651 6.43616 53.5074 TIMING: 1439000 CPU: 4179.75, 0.00290177/step Wall: 4179.75, 0.00290177/step, 2.87034 hours remaining, 207.500000 MB of memory in use. ENERGY: 1439000 750.3072 2177.6524 1945.6405 119.7827 -206643.4481 17954.9800 0.0000 0.0000 34301.9517 -149393.1336 299.5675 -183695.0853 -149302.2314 298.7191 34.0042 68.7416 557378.1559 14.5757 14.5608 PRESSURE: 1439200 -92.5565 -1.59299 76.3998 -1.59335 208.575 -97.492 76.4001 -97.4922 -41.0599 GPRESSURE: 1439200 -96.6991 10.4667 128.835 -93.9177 243.254 -84.2936 62.1454 -129.361 25.507 PRESSAVG: 1439200 0.398817 -28.6187 12.128 -28.6187 -2.25424 18.5603 12.128 18.5603 -12.6364 GPRESSAVG: 1439200 1.36134 -29.0279 15.2613 -28.7738 -1.99803 17.6663 11.1075 21.0607 -13.4438 TIMING: 1439200 CPU: 4180.33, 0.00288404/step Wall: 4180.33, 0.00288404/step, 2.85263 hours remaining, 207.500000 MB of memory in use. ENERGY: 1439200 767.9150 2096.5057 1932.8399 117.1155 -206681.9628 18029.8272 0.0000 0.0000 34297.1200 -149440.6395 299.5253 -183737.7595 -149339.6487 299.0096 24.9863 57.3539 555824.6997 -4.8306 -4.6935 PRESSURE: 1439400 361.337 28.2984 -148.846 28.2983 -219.732 -8.94158 -148.845 -8.94299 -378.286 GPRESSURE: 1439400 357.938 28.1376 -114.279 17.7986 -182.138 -43.8951 -146.365 -36.2985 -322.043 PRESSAVG: 1439400 -32.8389 2.90706 45.8375 2.90705 26.1334 -17.5236 45.8375 -17.5237 28.2703 GPRESSAVG: 1439400 -33.1805 3.85376 43.5733 3.85057 25.7665 -18.6232 47.2996 -17.4736 29.3304 TIMING: 1439400 CPU: 4180.91, 0.00286782/step Wall: 4180.91, 0.00286782/step, 2.83643 hours remaining, 207.500000 MB of memory in use. ENERGY: 1439400 774.0843 2165.4383 1928.2236 112.3786 -206421.3636 17989.4322 0.0000 0.0000 34201.0863 -149250.7204 298.6866 -183451.8066 -149154.9448 298.8093 -78.8938 -48.7478 557670.8546 7.1883 7.3055 PRESSURE: 1439600 -13.2771 -182.183 41.138 -182.183 -64.2604 -20.2605 41.138 -20.2602 -222.761 GPRESSURE: 1439600 1.19812 -234.904 24.8315 -240.538 -44.7798 -19.0303 44.3981 1.5133 -165.164 PRESSAVG: 1439600 52.563 -51.171 -31.2381 -51.1711 -4.53796 0.823145 -31.238 0.823108 -50.7576 GPRESSAVG: 1439600 53.2255 -52.329 -32.8775 -51.9909 -5.29261 3.3555 -31.2807 -1.00669 -50.7954 TIMING: 1439600 CPU: 4181.48, 0.00287778/step Wall: 4181.48, 0.00287778/step, 2.84613 hours remaining, 207.500000 MB of memory in use. ENERGY: 1439600 749.6189 2129.8986 1970.8778 119.5531 -206280.1746 17745.7472 0.0000 0.0000 34289.1980 -149275.2810 299.4561 -183564.4790 -149179.1990 298.9355 -100.0997 -69.5819 557608.3366 -0.9108 -0.9542 PRESSURE: 1439800 -283.081 -220.162 118.46 -220.163 19.772 -18.4084 118.46 -18.4073 -85.6668 GPRESSURE: 1439800 -271.913 -216.356 6.89485 -197.5 76.0429 -55.6795 121.727 -27.3507 -75.4078 PRESSAVG: 1439800 9.8578 -26.3499 -13.3228 -26.3499 -51.5067 12.3622 -13.3228 12.3621 42.246 GPRESSAVG: 1439800 9.684 -26.5741 -13.7821 -23.957 -51.0858 9.66487 -13.6498 15.1391 41.7479 TIMING: 1439800 CPU: 4182.06, 0.0028751/step Wall: 4182.06, 0.0028751/step, 2.84332 hours remaining, 207.500000 MB of memory in use. ENERGY: 1439800 742.9685 2162.8332 1966.6604 117.6797 -206490.9079 17704.7813 0.0000 0.0000 34632.1067 -149163.8782 302.4508 -183795.9849 -149066.9441 299.5744 -116.3254 -90.4261 556563.5462 0.1991 0.1154 PRESSURE: 1440000 183.486 35.6409 -142.002 35.6429 -128.731 45.5471 -142 45.5467 -57.279 GPRESSURE: 1440000 126.908 9.06473 -158.905 67.9493 -62.4829 -62.7035 -122.142 46.441 24.619 PRESSAVG: 1440000 -14.2289 -30.284 8.94957 -30.2841 79.8717 -33.0001 8.94954 -33.0002 -26.3777 GPRESSAVG: 1440000 -14.9514 -28.7163 9.74892 -32.7552 81.1705 -31.6037 9.31321 -36.0704 -26.7851 TIMING: 1440000 CPU: 4182.63, 0.00288421/step Wall: 4182.63, 0.00288421/step, 2.85217 hours remaining, 207.500000 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: 1440000 712.3480 2153.3698 1967.0769 121.8349 -206097.6524 17695.7137 0.0000 0.0000 34127.7368 -149319.5723 298.0460 -183447.3091 -149223.9145 299.0679 -0.8414 29.6815 556436.4750 13.0884 13.1447 PRESSURE: 1440200 352.001 43.2624 47.3232 43.2628 -227.866 -88.0827 47.3235 -88.0813 -70.336 GPRESSURE: 1440200 381.676 -17.4476 106.95 65.1236 -143.028 -159.633 -82.1928 -70.0014 -87.8224 PRESSAVG: 1440200 31.648 3.08561 -48.7301 3.0857 16.5901 15.0079 -48.7301 15.0078 20.6401 GPRESSAVG: 1440200 31.096 1.44456 -47.912 2.65353 16.0386 16.0328 -50.2315 16.125 21.2678 TIMING: 1440200 CPU: 4183.21, 0.00287605/step Wall: 4183.21, 0.00287605/step, 2.84393 hours remaining, 207.500000 MB of memory in use. ENERGY: 1440200 741.6197 2158.1340 1947.0043 120.9152 -206285.8312 17700.7377 0.0000 0.0000 34166.5539 -149450.8665 298.3850 -183617.4203 -149364.8182 298.5370 17.9333 50.2752 554752.1004 22.9594 22.8008 LDB: ============= START OF LOAD BALANCING ============== 4186.67 LDB: ============== END OF LOAD BALANCING =============== 4186.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4186.67 LDB: ============= START OF LOAD BALANCING ============== 4186.96 LDB: Largest compute 4821 load 0.030140 is 25.6% of average load 0.117698 LDB: Average compute 0.001738 is 1.5% of average load 0.117698 LDB: TIME 4186.96 LOAD: AVG 0.117698 MAX 0.177421 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.57 MB LDB: TIME 4186.96 LOAD: AVG 0.117698 MAX 0.177421 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: TIME 4186.96 LOAD: AVG 0.117698 MAX 0.177421 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.641 MB LDB: ============== END OF LOAD BALANCING =============== 4186.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4186.97 PRESSURE: 1440400 -203.549 209.33 2.84362 209.329 238.959 113.792 2.84372 113.791 -67.0735 GPRESSURE: 1440400 -127.732 256.78 -30.3192 155.236 219.831 205.729 16.2034 87.4109 -17.8035 PRESSAVG: 1440400 69.1699 -49.1921 -55.3682 -49.192 -45.4532 22.9922 -55.3683 22.9921 3.54388 GPRESSAVG: 1440400 70.3211 -47.3287 -56.8501 -49.6914 -46.4147 21.7414 -55.2803 21.708 3.4652 TIMING: 1440400 CPU: 4183.79, 0.00293131/step Wall: 4183.79, 0.00293131/step, 2.89841 hours remaining, 204.046875 MB of memory in use. ENERGY: 1440400 723.6896 2150.5270 1944.5399 116.6204 -206589.4403 17793.5216 0.0000 0.0000 34278.1593 -149582.3824 299.3597 -183860.5417 -149486.2259 298.1779 -10.5545 24.7653 555091.3073 9.0869 9.1239 PRESSURE: 1440600 94.4146 126.218 76.6883 126.218 118.886 -66.7948 76.689 -66.7951 -84.3792 GPRESSURE: 1440600 113.824 115.659 86.977 113.977 144.533 -73.3895 92.9976 -106.076 -27.1055 PRESSAVG: 1440600 4.05073 48.6685 -30.8882 48.6686 -49.9573 57.0597 -30.8882 57.0598 42.9981 GPRESSAVG: 1440600 4.86484 47.8532 -28.0382 50.654 -49.8354 56.5758 -29.6469 57.647 42.276 TIMING: 1440600 CPU: 4184.37, 0.00289936/step Wall: 4184.37, 0.00289936/step, 2.86666 hours remaining, 204.046875 MB of memory in use. ENERGY: 1440600 747.2826 2069.8274 1936.5878 112.8151 -206642.7327 18057.3607 0.0000 0.0000 34191.1652 -149527.6939 298.5999 -183718.8591 -149430.9986 298.3097 42.9738 77.0839 555989.2009 -0.9695 -0.8982 PRESSURE: 1440800 -221.833 176.844 -172.7 176.843 -68.2204 -18.8625 -172.701 -18.8636 -182.372 GPRESSURE: 1440800 -197.626 227.775 -199.817 121.903 19.6951 -66.2635 -165.137 -94.0382 -196.831 PRESSAVG: 1440800 3.67273 56.8816 12.4633 56.8817 38.3459 0.273034 12.4632 0.273108 -41.2635 GPRESSAVG: 1440800 2.99493 59.3885 10.6838 54.3821 38.4266 0.441993 11.6145 -0.451719 -40.2995 TIMING: 1440800 CPU: 4184.95, 0.00288936/step Wall: 4184.95, 0.00288936/step, 2.85661 hours remaining, 204.046875 MB of memory in use. ENERGY: 1440800 748.8689 2074.9852 1954.5551 108.0144 -205836.3767 17489.9157 0.0000 0.0000 34133.0728 -149326.9648 298.0926 -183460.0375 -149228.6157 298.7932 -157.4750 -124.9204 558194.8492 0.2517 0.3740 PRESSURE: 1441000 133.739 187.241 -91.6527 187.241 -11.1589 93.5351 -91.6517 93.5355 -109.376 GPRESSURE: 1441000 207.596 238.899 -52.9877 108.166 19.7592 59.1507 -80.0064 112.376 -114.372 PRESSAVG: 1441000 -28.6928 -0.894355 -48.0804 -0.89442 19.2454 -15.8515 -48.0805 -15.8516 0.241247 GPRESSAVG: 1441000 -28.3951 -4.16951 -47.5298 1.65783 19.286 -15.4259 -47.1187 -15.6719 0.240114 TIMING: 1441000 CPU: 4185.53, 0.00289575/step Wall: 4185.53, 0.00289575/step, 2.86277 hours remaining, 204.085938 MB of memory in use. ENERGY: 1441000 734.1803 2142.6275 1957.1974 122.8762 -206510.2834 17642.4561 0.0000 0.0000 34477.9010 -149433.0449 301.1041 -183910.9459 -149341.0749 298.6382 4.4013 37.6611 554969.2698 -3.0687 -2.9563 PRESSURE: 1441200 169.367 63.8575 -77.2051 63.8579 164.626 40.894 -77.2055 40.8931 -248.347 GPRESSURE: 1441200 191.578 55.922 -147.536 62.3867 221.53 29.1287 7.71523 46.0699 -228.35 PRESSAVG: 1441200 -22.7574 -24.9022 27.1123 -24.9022 59.6006 -6.7828 27.1123 -6.7827 -24.5975 GPRESSAVG: 1441200 -24.2042 -24.919 27.6138 -26.566 61.0047 -6.49425 27.1092 -6.66849 -24.2532 TIMING: 1441200 CPU: 4186.11, 0.00288812/step Wall: 4186.11, 0.00288812/step, 2.85507 hours remaining, 204.085938 MB of memory in use. ENERGY: 1441200 758.3856 2055.7733 1936.0813 101.1224 -206419.0433 17936.4927 0.0000 0.0000 34104.2078 -149526.9801 297.8405 -183631.1880 -149425.8261 298.5371 28.5486 61.5860 557364.8660 4.0819 4.1824 PRESSURE: 1441400 129.583 16.36 91.8088 16.3603 -108.708 -42.2746 91.8078 -42.2732 -158.926 GPRESSURE: 1441400 164.26 11.5134 41.2698 -9.30978 -93.7311 -59.3123 156.849 26.1083 -117.684 PRESSAVG: 1441400 64.3986 -11.7205 -15.9637 -11.7204 10.2098 32.3098 -15.9637 32.3099 -84.4896 GPRESSAVG: 1441400 64.5578 -10.8965 -15.9081 -10.6573 9.91898 30.0143 -17.4947 33.5979 -84.3817 TIMING: 1441400 CPU: 4186.69, 0.00290138/step Wall: 4186.69, 0.00290138/step, 2.86802 hours remaining, 204.164062 MB of memory in use. ENERGY: 1441400 735.5187 2042.1008 1955.3698 118.6262 -206258.6237 17734.5772 0.0000 0.0000 34028.1099 -149644.3211 297.1759 -183672.4310 -149551.4981 297.6429 -46.0168 -15.7183 558872.5804 -3.2937 -3.3017 PRESSURE: 1441600 -163.862 145.321 -7.08358 145.321 64.2593 108.752 -7.08402 108.752 125.156 GPRESSURE: 1441600 -77.6563 263.568 29.2303 99.8213 64.7109 133.903 64.4298 121.971 138.282 PRESSAVG: 1441600 -30.6868 1.00729 29.4851 1.00734 -21.3354 -46.8995 29.4851 -46.8994 12.8521 GPRESSAVG: 1441600 -29.9374 2.54347 28.8033 1.12973 -22.3302 -47.0225 32.2345 -48.506 12.474 TIMING: 1441600 CPU: 4187.27, 0.00290057/step Wall: 4187.27, 0.00290057/step, 2.86705 hours remaining, 204.164062 MB of memory in use. ENERGY: 1441600 728.2844 2072.5270 1974.9296 120.6064 -206235.7577 17686.0117 0.0000 0.0000 34138.0198 -149515.3787 298.1358 -183653.3986 -149417.6019 297.9685 8.5178 41.7787 555839.5132 -13.0567 -13.2645 PRESSURE: 1441800 196.419 -105.865 -16.1519 -105.865 150.986 -154.687 -16.1518 -154.688 -229.797 GPRESSURE: 1441800 265.436 -42.798 53.7099 -165.288 179.179 -181.613 -98.144 -167.554 -225.788 PRESSAVG: 1441800 29.4763 3.6847 -19.5507 3.68464 -46.4619 -0.458746 -19.5507 -0.458846 18.6743 GPRESSAVG: 1441800 29.1093 2.14631 -19.074 3.84902 -46.142 0.642036 -21.3155 0.807835 19.0458 TIMING: 1441800 CPU: 4187.85, 0.00289018/step Wall: 4187.85, 0.00289018/step, 2.85662 hours remaining, 204.164062 MB of memory in use. ENERGY: 1441800 768.0251 2076.4725 1945.0367 114.2148 -206773.4919 18031.2114 0.0000 0.0000 34231.1125 -149607.4189 298.9488 -183838.5314 -149510.1342 298.3451 39.2023 72.9424 556696.1388 0.5629 0.6710 PRESSURE: 1442000 -85.8499 150.506 152.503 150.507 -210.411 56.1489 152.502 56.1483 -123.49 GPRESSURE: 1442000 -39.8332 62.6042 129.424 166.054 -201.739 56.7099 218.594 43.4961 -87.9634 PRESSAVG: 1442000 17.0222 -10.3305 -20.9815 -10.3305 -88.299 2.52152 -20.9815 2.5214 60.1614 GPRESSAVG: 1442000 17.3192 -11.2569 -19.2849 -11.6958 -89.3139 1.24887 -21.3723 2.86505 60.3089 TIMING: 1442000 CPU: 4188.42, 0.00288902/step Wall: 4188.42, 0.00288902/step, 2.85532 hours remaining, 204.164062 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: 1442000 803.2536 2067.3091 1948.3491 119.3862 -206664.5616 17820.8199 0.0000 0.0000 34167.2778 -149738.1660 298.3913 -183905.4438 -149643.6864 298.6538 -139.9171 -109.8451 557911.1190 -3.7052 -3.8952 PRESSURE: 1442200 -50.7167 87.1021 -154.366 87.102 101.403 112.3 -154.366 112.3 -262.741 GPRESSURE: 1442200 -38.2841 91.9742 -143.073 103.589 131.834 35.7986 -286.245 138.726 -217.744 PRESSAVG: 1442200 19.2918 -23.1514 -13.3888 -23.1514 -15.5899 -14.6577 -13.3888 -14.6576 18.6602 GPRESSAVG: 1442200 19.0387 -22.1835 -15.9171 -23.4196 -16.2507 -13.7418 -11.9089 -13.9798 18.9286 TIMING: 1442200 CPU: 4189, 0.00289767/step Wall: 4189, 0.00289767/step, 2.86371 hours remaining, 204.222656 MB of memory in use. ENERGY: 1442200 751.3134 2201.1694 1932.2427 118.4685 -206404.8159 17776.6427 0.0000 0.0000 33999.8218 -149625.1575 296.9289 -183624.9793 -149533.9819 297.6826 -70.6848 -41.3979 557437.0451 7.4540 7.2389 PRESSURE: 1442400 264.922 -66.5393 -23.0816 -66.5385 204.844 114.597 -23.0806 114.598 42.7493 GPRESSURE: 1442400 293.081 -68.8203 46.0921 -89.914 192.916 72.052 12.5843 83.979 129.077 PRESSAVG: 1442400 -25.0429 -17.4864 -48.5219 -17.4862 -29.6495 -34.5343 -48.5218 -34.5343 52.1149 GPRESSAVG: 1442400 -25.9921 -18.7045 -48.7087 -15.4634 -29.2538 -34.4965 -47.7015 -37.0875 52.7652 TIMING: 1442400 CPU: 4189.58, 0.0028805/step Wall: 4189.58, 0.0028805/step, 2.84658 hours remaining, 204.222656 MB of memory in use. ENERGY: 1442400 750.6634 2091.1568 1945.9711 114.0788 -206804.5359 18057.9157 0.0000 0.0000 34278.6104 -149566.1396 299.3636 -183844.7499 -149473.5698 298.3443 170.8385 205.0245 556233.7950 -0.8592 -0.8269 PRESSURE: 1442600 272.399 63.04 18.2013 63.0392 32.6496 150.884 18.2029 150.884 130.97 GPRESSURE: 1442600 258.7 123.083 -24.9703 56.5068 102.234 149.508 23.6879 195.549 154.792 PRESSAVG: 1442600 6.5963 28.4524 18.5546 28.4524 -32.6297 24.3468 18.5546 24.3467 29.7583 GPRESSAVG: 1442600 5.48283 29.4671 19.0427 29.7806 -31.2273 23.4015 17.028 25.3455 29.6133 TIMING: 1442600 CPU: 4190.16, 0.00291254/step Wall: 4190.16, 0.00291254/step, 2.87808 hours remaining, 204.222656 MB of memory in use. ENERGY: 1442600 745.4361 2067.8057 1956.9522 121.7183 -206540.3007 17944.8583 0.0000 0.0000 34036.3566 -149667.1733 297.2480 -183703.5300 -149573.6144 297.2620 145.3397 171.9091 557337.0126 1.2416 1.2896 PRESSURE: 1442800 39.3406 98.6163 -106.956 98.6155 177.783 193.419 -106.954 193.42 242.487 GPRESSURE: 1442800 48.0394 1.38748 -169.371 185.886 230.044 198.64 -100.971 156.715 272.269 PRESSAVG: 1442800 -85.063 3.28703 -15.1745 3.28692 10.0807 34.0319 -15.1746 34.0319 68.5801 GPRESSAVG: 1442800 -83.7391 3.83549 -16.6097 2.71365 8.96695 33.5046 -15.0998 34.3619 67.8211 TIMING: 1442800 CPU: 4190.75, 0.0029291/step Wall: 4190.75, 0.0029291/step, 2.89427 hours remaining, 204.222656 MB of memory in use. ENERGY: 1442800 729.3862 2104.2049 1963.9659 105.5731 -206678.7487 18046.8022 0.0000 0.0000 34302.6383 -149426.1780 299.5735 -183728.8163 -149332.6654 298.1314 153.2036 183.4509 556790.9298 -2.1341 -2.3170 PRESSURE: 1443000 87.2473 -11.5211 -184.537 -11.5225 -188.592 -13.4451 -184.536 -13.4451 29.4849 GPRESSURE: 1443000 145.881 -17.3117 -230.29 -24.3308 -196.164 -8.5927 -248.993 36.4985 92.4407 PRESSAVG: 1443000 -33.8325 9.88605 6.01687 9.88606 -39.9825 55.4563 6.01699 55.4563 39.3786 GPRESSAVG: 1443000 -34.6249 8.38155 9.25907 9.8163 -39.2694 57.1378 5.62098 54.1693 39.3944 TIMING: 1443000 CPU: 4191.33, 0.00291359/step Wall: 4191.33, 0.00291359/step, 2.87879 hours remaining, 204.222656 MB of memory in use. ENERGY: 1443000 802.0520 2068.6614 1995.3742 116.0263 -206044.9343 17784.9817 0.0000 0.0000 33944.1864 -149333.6523 296.4430 -183277.8387 -149240.7076 298.4715 -23.9532 14.0526 557784.7385 -11.4788 -11.5000 PRESSURE: 1443200 152.252 -40.5457 -88.9394 -40.5444 131.311 48.6019 -88.9391 48.6023 -8.06599 GPRESSURE: 1443200 143.015 -65.9617 -76.3296 -21.3573 238.664 71.9205 -40.387 25.9917 5.68552 PRESSAVG: 1443200 -86.6887 33.4685 -111.736 33.4685 6.50946 14.4056 -111.736 14.4057 84.097 GPRESSAVG: 1443200 -87.4852 33.9727 -112.512 33.9373 8.75345 13.5615 -112.986 16.4589 83.04 TIMING: 1443200 CPU: 4191.92, 0.00292829/step Wall: 4191.92, 0.00292829/step, 2.89315 hours remaining, 204.222656 MB of memory in use. ENERGY: 1443200 713.4187 2166.1286 1969.9262 125.7954 -206510.4785 18059.1579 0.0000 0.0000 34112.1686 -149363.8832 297.9101 -183476.0518 -149274.7680 298.8536 91.8323 129.1216 557178.8350 1.3059 1.4361 PRESSURE: 1443400 -21.7361 -110.068 -235.469 -110.067 -126.597 -32.0081 -235.47 -32.0094 -14.8434 GPRESSURE: 1443400 14.3709 -148.669 -187.379 -143.885 -71.7973 -9.74898 -285.732 -76.6441 -14.3128 PRESSAVG: 1443400 8.84728 -26.0946 31.0333 -26.0947 -8.87193 37.0579 31.0332 37.0579 5.93283 GPRESSAVG: 1443400 9.44565 -26.6622 31.9637 -25.4061 -11.0724 36.2846 30.6925 36.4935 7.39277 TIMING: 1443400 CPU: 4192.5, 0.0029266/step Wall: 4192.5, 0.0029266/step, 2.89132 hours remaining, 204.222656 MB of memory in use. ENERGY: 1443400 723.5308 2053.7116 1972.8717 123.8601 -206323.8612 17764.8632 0.0000 0.0000 34479.3853 -149205.6385 301.1170 -183685.0238 -149102.2898 298.9081 -54.3923 -23.9131 559529.7980 1.9694 1.9220 PRESSURE: 1443600 -46.8223 -47.486 -145.246 -47.4868 81.5554 58.8938 -145.246 58.8923 -20.6296 GPRESSURE: 1443600 -34.165 18.3994 -191.67 -25.3964 183.939 43.2984 -106.551 42.1 -25.8181 PRESSAVG: 1443600 59.5406 63.8084 -10.1213 63.8084 18.5385 18.0427 -10.1214 18.0427 -25.6411 GPRESSAVG: 1443600 59.6071 63.431 -12.5501 62.6956 19.0951 19.3218 -10.7945 17.1704 -26.2662 TIMING: 1443600 CPU: 4193.08, 0.00291253/step Wall: 4193.08, 0.00291253/step, 2.87726 hours remaining, 204.222656 MB of memory in use. ENERGY: 1443600 769.6916 2064.1279 1937.7985 110.1226 -206221.6349 17845.1975 0.0000 0.0000 34304.7663 -149189.9305 299.5921 -183494.6968 -149091.7201 298.6418 4.7012 41.3188 556951.9814 17.4794 17.4787 PRESSURE: 1443800 -94.0497 -146.372 137.497 -146.371 110.823 46.769 137.496 46.7685 -130.893 GPRESSURE: 1443800 -104.456 -180.847 73.2073 -98.8154 168.23 145.917 87.6488 -83.232 -87.4522 PRESSAVG: 1443800 23.9818 75.9377 -29.9606 75.9376 -4.92874 -33.6813 -29.9605 -33.6812 -4.99776 GPRESSAVG: 1443800 24.6569 77.9418 -29.9594 76.577 -4.93088 -33.9576 -28.8645 -34.8767 -5.13241 TIMING: 1443800 CPU: 4193.67, 0.00290104/step Wall: 4193.67, 0.00290104/step, 2.86575 hours remaining, 204.222656 MB of memory in use. ENERGY: 1443800 756.5761 2144.4189 1936.5282 112.8734 -206254.9919 17802.9004 0.0000 0.0000 34321.2887 -149180.4062 299.7364 -183501.6949 -149085.0974 299.2381 -38.0399 -7.8926 558010.9671 4.6851 4.8645 PRESSURE: 1444000 -314.731 48.2783 -12.2196 48.2788 7.93693 -103.123 -12.2191 -103.123 -342.645 GPRESSURE: 1444000 -317.051 107.413 -41.9372 75.7656 77.4725 -177.453 30.5323 -10.7972 -323.278 PRESSAVG: 1444000 4.73877 -15.3862 -45.1497 -15.3862 2.63244 -42.312 -45.1497 -42.3119 4.67571 GPRESSAVG: 1444000 3.30802 -17.1746 -44.9396 -17.2939 3.503 -43.2816 -45.0017 -42.6275 5.01745 TIMING: 1444000 CPU: 4194.25, 0.00291385/step Wall: 4194.25, 0.00291385/step, 2.87824 hours remaining, 204.222656 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: 1444000 752.3259 2121.4376 1946.7303 108.7848 -205705.1364 17423.1031 0.0000 0.0000 34381.2463 -148971.5085 300.2600 -183352.7548 -148878.3828 298.9308 -216.4797 -187.6191 558618.9749 4.0156 3.9428 PRESSURE: 1444200 156.439 -54.6368 157.16 -54.6356 -63.4202 108.853 157.16 108.852 -141.798 GPRESSURE: 1444200 105.906 -106.235 144.769 -64.5021 29.3979 113.436 251.946 132.913 -96.1216 PRESSAVG: 1444200 -19.4085 -12.2475 -5.23058 -12.2474 79.0716 2.27403 -5.23062 2.27397 -39.2661 GPRESSAVG: 1444200 -17.4901 -13.5222 -5.33758 -10.4138 76.3435 3.07163 -3.55289 3.59672 -38.4376 TIMING: 1444200 CPU: 4194.83, 0.00291219/step Wall: 4194.83, 0.00291219/step, 2.87644 hours remaining, 204.222656 MB of memory in use. ENERGY: 1444200 727.0672 2120.5030 1965.6054 107.7072 -205842.2588 17805.1665 0.0000 0.0000 34154.2170 -148961.9925 298.2773 -183116.2095 -148862.7575 299.6962 -16.2597 13.0609 557975.4583 6.7990 6.8053 LDB: ============= START OF LOAD BALANCING ============== 4198.3 LDB: ============== END OF LOAD BALANCING =============== 4198.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4198.3 LDB: ============= START OF LOAD BALANCING ============== 4198.59 LDB: Largest compute 4821 load 0.029984 is 25.5% of average load 0.117576 LDB: Average compute 0.001726 is 1.5% of average load 0.117576 LDB: TIME 4198.59 LOAD: AVG 0.117576 MAX 0.178578 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.18 MB LDB: TIME 4198.59 LOAD: AVG 0.117576 MAX 0.178578 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.383 MB LDB: TIME 4198.59 LOAD: AVG 0.117576 MAX 0.178578 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4198.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4198.6 PRESSURE: 1444400 -14.4464 -104.78 28.5296 -104.781 -158.999 163.681 28.5299 163.679 -304.533 GPRESSURE: 1444400 44.0672 -32.9911 85.5053 -72.6524 -149.831 105.74 -8.92049 188.297 -283.43 PRESSAVG: 1444400 25.2886 -8.33641 -48.9667 -8.3364 -19.5401 -3.66445 -48.9666 -3.66436 18.9487 GPRESSAVG: 1444400 25.6989 -5.04574 -48.1572 -8.22392 -18.628 -3.97909 -49.6449 -3.48986 17.6276 TIMING: 1444400 CPU: 4195.43, 0.00297307/step Wall: 4195.43, 0.00297307/step, 2.9364 hours remaining, 203.734375 MB of memory in use. ENERGY: 1444400 753.9770 2138.2473 1943.0464 100.9988 -206155.5769 17794.4486 0.0000 0.0000 34342.9760 -149081.8830 299.9258 -183424.8589 -148978.6085 299.5993 -159.3260 -129.7313 557865.4121 8.2324 8.2328 PRESSURE: 1444600 -134.253 -48.8637 -69.6 -48.8635 215.358 33.6969 -69.5997 33.6976 -112.078 GPRESSURE: 1444600 -85.4545 -83.7237 -121.006 -50.4716 244.816 28.1288 -97.5814 31.5862 -104.49 PRESSAVG: 1444600 -20.8055 -0.972011 -4.33479 -0.972058 -15.389 15.501 -4.33474 15.501 -16.7398 GPRESSAVG: 1444600 -21.4353 -0.63019 -7.67584 -1.16858 -15.122 15.8224 -2.51916 15.4374 -16.539 TIMING: 1444600 CPU: 4196.01, 0.00290268/step Wall: 4196.01, 0.00290268/step, 2.86672 hours remaining, 203.964844 MB of memory in use. ENERGY: 1444600 750.8149 2114.9048 1938.4213 113.6160 -206071.9618 17836.8950 0.0000 0.0000 34357.6037 -148959.7061 300.0535 -183317.3098 -148864.5186 300.3395 -10.3245 18.2904 559098.9870 -17.6448 -17.6988 PRESSURE: 1444800 76.0333 35.3238 -96.6332 35.3247 -59.7251 26.197 -96.6333 26.1966 51.0007 GPRESSURE: 1444800 117.819 68.5161 -78.1021 37.3096 -22.8979 -43.1183 -100.202 153.62 63.0511 PRESSAVG: 1444800 25.4274 41.8715 -38.2744 41.8714 17.3453 48.773 -38.2744 48.7729 -3.01947 GPRESSAVG: 1444800 24.8213 40.7451 -34.2207 43.4305 17.9146 47.3294 -40.8406 47.4428 -2.46838 TIMING: 1444800 CPU: 4196.59, 0.00289841/step Wall: 4196.59, 0.00289841/step, 2.86234 hours remaining, 203.964844 MB of memory in use. ENERGY: 1444800 741.4604 2122.3713 1923.4201 104.2177 -206107.9386 17732.7285 0.0000 0.0000 34662.1365 -148821.6042 302.7131 -183483.7407 -148721.1056 300.5167 22.4363 52.6573 557432.1326 13.2511 13.4225 PRESSURE: 1445000 -118.381 39.2456 -49.4737 39.2454 -170.354 105.636 -49.474 105.637 -1.51021 GPRESSURE: 1445000 -105.339 -5.79281 10.3124 112.23 -108.714 123.87 -32.592 2.52989 13.957 PRESSAVG: 1445000 56.9707 43.5584 18.2534 43.5584 -19.1981 2.59454 18.2535 2.59455 -11.6566 GPRESSAVG: 1445000 57.6585 41.4102 18.8286 42.7303 -19.6084 5.8994 18.364 3.46549 -12.2301 TIMING: 1445000 CPU: 4197.16, 0.00288101/step Wall: 4197.16, 0.00288101/step, 2.845 hours remaining, 203.964844 MB of memory in use. ENERGY: 1445000 751.5268 2139.9462 1983.6112 122.8870 -205885.1000 17755.5402 0.0000 0.0000 34316.7925 -148814.7961 299.6971 -183131.5887 -148720.9780 300.2435 -96.7483 -66.6988 558612.8476 8.7053 8.6067 PRESSURE: 1445200 -111.959 -216.796 43.3141 -216.797 193.756 102.116 43.3147 102.116 12.878 GPRESSURE: 1445200 -66.758 -191.645 34.5132 -219.151 184.824 189.818 -30.7262 65.0061 85.1701 PRESSAVG: 1445200 46.3818 -31.9491 -28.5313 -31.9491 -17.2327 48.6712 -28.5312 48.6711 -1.53829 GPRESSAVG: 1445200 46.381 -29.9489 -28.8742 -31.7748 -16.2463 46.6178 -31.5633 48.5343 -1.70137 TIMING: 1445200 CPU: 4197.74, 0.00291138/step Wall: 4197.74, 0.00291138/step, 2.87483 hours remaining, 203.964844 MB of memory in use. ENERGY: 1445200 756.0892 2142.7556 1977.0671 121.3686 -206263.4195 18062.5458 0.0000 0.0000 34487.2957 -148716.2975 301.1861 -183203.5931 -148620.7044 300.8119 31.5585 67.7453 558109.5017 9.2036 9.4778 PRESSURE: 1445400 114.48 41.041 162.121 41.0395 240.889 74.5 162.121 74.4969 174.421 GPRESSURE: 1445400 178.239 91.4422 175.579 72.9994 252.797 62.3157 161.266 24.6943 195.577 PRESSAVG: 1445400 -30.7974 -26.5043 -35.7913 -26.5043 53.4913 -49.897 -35.7915 -49.8969 -15.1868 GPRESSAVG: 1445400 -31.2764 -25.8112 -36.9483 -27.59 52.7173 -48.839 -33.6843 -49.131 -14.2798 TIMING: 1445400 CPU: 4198.32, 0.0028935/step Wall: 4198.32, 0.0028935/step, 2.85701 hours remaining, 203.964844 MB of memory in use. ENERGY: 1445400 761.7580 2137.6381 1969.5510 110.8838 -205980.0152 17938.9822 0.0000 0.0000 34034.4124 -149026.7896 297.2310 -183061.2021 -148931.0759 300.0314 176.5969 208.8710 555431.5157 2.5024 2.3870 PRESSURE: 1445600 -169.23 -5.54806 -137.556 -5.54786 225.908 244.75 -137.555 244.749 134.074 GPRESSURE: 1445600 -139.636 19.1427 -126.617 -103.532 273.899 206.666 -86.0573 214.041 155.234 PRESSAVG: 1445600 17.7939 27.6192 -6.89196 27.6192 12.9068 29.4948 -6.89201 29.4949 -5.08332 GPRESSAVG: 1445600 16.1825 28.9792 -7.0354 26.6104 14.3304 28.4585 -6.84311 27.5942 -4.7945 TIMING: 1445600 CPU: 4198.9, 0.00289036/step Wall: 4198.9, 0.00289036/step, 2.85375 hours remaining, 203.964844 MB of memory in use. ENERGY: 1445600 698.4688 2110.2180 1988.5766 115.2287 -206308.0298 17809.9513 0.0000 0.0000 34519.4049 -149066.1815 301.4665 -183585.5863 -148975.2437 299.2853 63.5840 96.4990 555609.1308 8.5391 8.5728 PRESSURE: 1445800 35.1428 160.016 -172.276 160.015 201.594 123.786 -172.276 123.787 -42.4422 GPRESSURE: 1445800 97.3882 135.349 -95.554 191.169 232.985 142.275 -167.512 15.7477 -46.6425 PRESSAVG: 1445800 2.90237 30.9138 -23.5249 30.9139 93.745 33.7916 -23.5249 33.7916 -36.2788 GPRESSAVG: 1445800 4.82819 28.5705 -23.3387 33.1633 93.1614 34.2371 -22.6009 34.5448 -37.972 TIMING: 1445800 CPU: 4199.48, 0.00288129/step Wall: 4199.48, 0.00288129/step, 2.84464 hours remaining, 203.964844 MB of memory in use. ENERGY: 1445800 759.9786 2075.6766 1975.4993 111.8116 -206479.2907 18026.6588 0.0000 0.0000 34376.6675 -149152.9982 300.2200 -183529.6657 -149058.0805 300.2287 64.7648 94.5769 557299.2052 20.1228 20.0059 PRESSURE: 1446000 -142.704 21.79 -15.2127 21.7901 -305.6 3.27307 -15.2131 3.2742 -28.4511 GPRESSURE: 1446000 -137.489 48.423 43.3829 -33.9099 -258.524 -28.8729 -101.982 24.8314 1.62177 PRESSAVG: 1446000 3.75855 30.8074 -9.40443 30.8074 -26.9774 -7.14871 -9.40443 -7.14863 -3.73383 GPRESSAVG: 1446000 3.1964 31.1209 -10.4734 29.5465 -27.381 -6.73217 -9.79067 -6.9842 -3.04864 TIMING: 1446000 CPU: 4200.05, 0.00287722/step Wall: 4200.05, 0.00287722/step, 2.84046 hours remaining, 203.964844 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: 1446000 752.0020 2078.2578 1980.1636 112.6428 -205789.0178 17438.0738 0.0000 0.0000 34313.5019 -149114.3759 299.6683 -183427.8778 -149022.7353 299.1281 -158.9183 -131.4637 557981.6710 -8.9842 -9.0778 PRESSURE: 1446200 -56.9906 106.101 126.891 106.101 -214.25 -58.8815 126.891 -58.8804 289.647 GPRESSURE: 1446200 -82.7554 150.657 115.895 28.0515 -173.38 -54.5607 105.142 -58.7672 371.79 PRESSAVG: 1446200 24.5476 41.217 -39.8052 41.2169 -50.3919 -1.72955 -39.8051 -1.72956 25.2092 GPRESSAVG: 1446200 24.9129 40.3822 -37.5364 42.2296 -48.935 -2.41566 -40.6863 0.668999 23.6864 TIMING: 1446200 CPU: 4200.63, 0.00290645/step Wall: 4200.63, 0.00290645/step, 2.86915 hours remaining, 203.964844 MB of memory in use. ENERGY: 1446200 764.0928 2132.0486 1961.2880 106.0845 -206141.4575 17890.7184 0.0000 0.0000 34283.5143 -149003.7108 299.4065 -183287.2251 -148910.3981 299.6533 6.1354 38.5517 556970.9577 -0.2117 -0.1119 PRESSURE: 1446400 53.2513 -71.5568 -60.8443 -71.5561 104.831 -140.403 -60.8448 -140.403 -109.822 GPRESSURE: 1446400 73.3695 -85.9086 -231.314 -33.2361 100.184 -143.047 -18.422 -183.973 -15.5218 PRESSAVG: 1446400 7.04251 21.7656 2.85385 21.7656 -44.1836 -45.872 2.85394 -45.8721 -10.2077 GPRESSAVG: 1446400 7.23657 22.221 -0.195164 21.2513 -44.8639 -45.4553 4.92171 -48.5511 -9.65404 TIMING: 1446400 CPU: 4201.22, 0.00290977/step Wall: 4201.22, 0.00290977/step, 2.87226 hours remaining, 203.964844 MB of memory in use. ENERGY: 1446400 706.7810 2082.0107 1969.2029 122.4704 -206049.9105 17843.7760 0.0000 0.0000 34167.3886 -149158.2809 298.3923 -183325.6695 -149054.7900 298.7992 16.0870 52.6772 557393.2627 -15.7829 -15.7605 PRESSURE: 1446600 -165.402 27.3226 -133.655 27.3233 116.604 78.4202 -133.655 78.4196 -215.634 GPRESSURE: 1446600 -117.488 90.704 -152.888 15.2309 157.43 96.9176 -129.125 99.1277 -208.313 PRESSAVG: 1446600 -61.6961 -16.2107 -47.0559 -16.2107 47.9277 6.17837 -47.0559 6.17843 35.3187 GPRESSAVG: 1446600 -62.2796 -15.0439 -46.66 -15.9744 48.1079 4.89631 -47.0889 7.62164 35.8483 TIMING: 1446600 CPU: 4201.79, 0.00286844/step Wall: 4201.79, 0.00286844/step, 2.83131 hours remaining, 203.964844 MB of memory in use. ENERGY: 1446600 725.2354 2110.6280 1959.2370 124.6320 -205875.3223 17616.4178 0.0000 0.0000 34159.0795 -149180.0926 298.3197 -183339.1721 -149086.2421 299.1149 -88.1442 -56.1236 558621.9092 7.1834 7.2256 PRESSURE: 1446800 168.908 49.1654 65.7264 49.1634 27.6647 66.6577 65.7273 66.6588 -14.0748 GPRESSURE: 1446800 187.198 106.166 80.4999 34.9093 60.1706 104.246 25.1356 -10.3384 24.3479 PRESSAVG: 1446800 3.24311 21.7578 -19.9769 21.7578 -76.1764 -18.2154 -19.977 -18.2153 4.02039 GPRESSAVG: 1446800 4.45836 22.6537 -19.0911 20.9748 -76.3566 -16.6595 -20.144 -19.3123 3.09548 TIMING: 1446800 CPU: 4202.37, 0.00288087/step Wall: 4202.37, 0.00288087/step, 2.84342 hours remaining, 203.964844 MB of memory in use. ENERGY: 1446800 711.6979 2062.8745 1925.9471 122.0522 -206200.3957 18040.6779 0.0000 0.0000 34255.7662 -149081.3801 299.1641 -183337.1462 -148991.6288 298.6947 60.8325 90.5722 558232.1130 -22.9710 -22.9343 PRESSURE: 1447000 -4.17885 75.2114 -41.4237 75.2121 13.4441 -65.2976 -41.4232 -65.2961 -135.383 GPRESSURE: 1447000 -14.6197 30.2448 -76.0824 176.08 46.0088 78.1088 -35.8978 -173.513 -62.903 PRESSAVG: 1447000 8.67614 -28.3704 39.0037 -28.3703 25.7513 -28.5713 39.0037 -28.5711 -6.98413 GPRESSAVG: 1447000 7.7272 -30.4654 41.2668 -27.0845 25.3363 -27.2578 36.4916 -30.8047 -5.70993 TIMING: 1447000 CPU: 4202.94, 0.00289539/step Wall: 4202.94, 0.00289539/step, 2.85759 hours remaining, 203.964844 MB of memory in use. ENERGY: 1447000 739.1525 2181.8328 1939.4267 107.3674 -206011.4719 17657.6007 0.0000 0.0000 34361.2752 -149024.8166 300.0856 -183386.0918 -148925.0216 299.5713 -42.0394 -10.5046 558512.0977 9.1478 9.1179 PRESSURE: 1447200 -161.817 41.1875 27.3251 41.1872 -145.834 49.9335 27.3243 49.9325 -132.263 GPRESSURE: 1447200 -27.826 35.7312 12.68 -76.4239 -128.721 78.2976 7.59759 42.9443 -193.338 PRESSAVG: 1447200 51.9563 26.4158 20.2203 26.4158 -48.594 -23.5019 20.2202 -23.5019 14.6057 GPRESSAVG: 1447200 53.1031 26.6799 17.3962 26.3745 -47.8152 -24.7954 22.872 -20.4158 13.5008 TIMING: 1447200 CPU: 4203.52, 0.00287306/step Wall: 4203.52, 0.00287306/step, 2.83539 hours remaining, 203.964844 MB of memory in use. ENERGY: 1447200 719.7036 2152.4074 1950.3213 119.5609 -205844.7521 17521.3644 0.0000 0.0000 34346.4502 -149034.9442 299.9561 -183381.3944 -148931.4101 299.7378 -146.6379 -116.6284 557703.6346 5.9893 6.2629 PRESSURE: 1447400 271.138 -24.0681 100.534 -24.0708 347.638 -23.0656 100.536 -23.0637 267.479 GPRESSURE: 1447400 285.607 -93.6078 81.1889 1.91264 373.748 -13.4245 93.8395 -42.2007 323.181 PRESSAVG: 1447400 49.8064 9.43752 -56.4614 9.43751 -25.889 -49.5657 -56.4613 -49.5657 -66.6149 GPRESSAVG: 1447400 49.0596 10.8341 -54.5291 6.83762 -25.5227 -49.709 -56.2682 -51.3091 -66.6637 TIMING: 1447400 CPU: 4204.1, 0.00288709/step Wall: 4204.1, 0.00288709/step, 2.84908 hours remaining, 203.964844 MB of memory in use. ENERGY: 1447400 743.7262 2081.9283 1960.4530 137.8083 -206465.6043 18275.7500 0.0000 0.0000 34328.2720 -148937.6665 299.7973 -183265.9385 -148840.6434 299.6340 295.4183 327.5119 556204.7598 -14.2325 -14.3756 PRESSURE: 1447600 -130.396 -41.428 -91.4686 -41.4287 215.81 -119.253 -91.4694 -119.253 -134.134 GPRESSURE: 1447600 -63.673 -76.219 21.777 -41.2115 182.625 -103.019 -50.7161 -112.25 -83.4753 PRESSAVG: 1447600 14.6656 0.188797 -1.69316 0.188752 61.5183 -5.07921 -1.69317 -5.07911 -39.4715 GPRESSAVG: 1447600 14.6618 0.520907 -0.199504 0.473744 61.8495 -4.61685 -2.76947 -4.99217 -40.2243 TIMING: 1447600 CPU: 4204.68, 0.00289636/step Wall: 4204.68, 0.00289636/step, 2.85807 hours remaining, 203.964844 MB of memory in use. ENERGY: 1447600 796.7764 2097.5508 1943.9192 114.9448 -205992.6243 17928.8272 0.0000 0.0000 34187.6679 -148922.9379 298.5694 -183110.6059 -148822.8917 300.4037 -16.2402 11.8255 556864.7494 12.2375 12.0957 PRESSURE: 1447800 237.806 -131.072 -129.766 -131.073 -133.049 -86.3274 -129.768 -86.3276 -2.15043 GPRESSURE: 1447800 284.704 -106.665 -186.563 -65.8454 -94.7707 -195.35 -169.707 -14.5009 6.1956 PRESSAVG: 1447800 -53.0432 -7.31618 -37.6089 -7.3162 77.1204 -3.37457 -37.6089 -3.3746 -45.0631 GPRESSAVG: 1447800 -54.3628 -6.67879 -40.9405 -7.43475 76.0772 -5.20598 -36.8221 -2.04957 -42.9283 TIMING: 1447800 CPU: 4205.26, 0.00291064/step Wall: 4205.26, 0.00291064/step, 2.87199 hours remaining, 203.964844 MB of memory in use. ENERGY: 1447800 780.1323 2142.2643 1956.3574 119.0879 -206284.5667 17876.0410 0.0000 0.0000 34449.2974 -148961.3863 300.8543 -183410.6838 -148869.0703 299.9546 34.2022 65.3763 557890.6395 -6.9953 -7.0713 PRESSURE: 1448000 -161.739 61.1138 71.6342 61.1128 48.3737 46.9467 71.6329 46.9479 73.4481 GPRESSURE: 1448000 -69.9332 121.237 33.9739 34.661 16.094 9.80243 70.7813 65.9369 96.6076 PRESSAVG: 1448000 40.7421 53.4774 -20.2455 53.4775 12.193 -12.9917 -20.2455 -12.9917 -108.87 GPRESSAVG: 1448000 42.8259 52.4495 -19.09 56.6407 11.7546 -12.1186 -18.4455 -14.4426 -109.991 TIMING: 1448000 CPU: 4205.84, 0.00289212/step Wall: 4205.84, 0.00289212/step, 2.85356 hours remaining, 203.964844 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: 1448000 745.4036 2073.4727 1948.1167 119.0246 -206129.7955 17685.5462 0.0000 0.0000 34538.6493 -149019.5823 301.6346 -183558.2315 -148921.8622 299.7257 -13.3058 14.2561 557411.8172 -18.6450 -18.4700 PRESSURE: 1448200 -65.3845 -34.874 45.9477 -34.873 301.955 -29.8134 45.9486 -29.8136 -98.2623 GPRESSURE: 1448200 -1.73405 1.82535 84.25 -73.0657 306.852 -3.26226 23.519 -23.6922 -78.7452 PRESSAVG: 1448200 -2.58101 -22.6449 16.9037 -22.6449 74.8489 -37.3 16.9038 -37.3 -42.2064 GPRESSAVG: 1448200 -3.52146 -21.9107 18.7206 -23.299 75.1094 -36.5667 13.7372 -37.4528 -41.727 TIMING: 1448200 CPU: 4206.42, 0.00290167/step Wall: 4206.42, 0.00290167/step, 2.86282 hours remaining, 203.964844 MB of memory in use. ENERGY: 1448200 731.1624 2075.2433 1958.9636 119.1389 -206224.5287 17807.6108 0.0000 0.0000 34451.6989 -149080.7108 300.8753 -183532.4097 -148997.8221 300.1227 46.1027 75.4575 558543.8643 10.0205 9.9536 LDB: ============= START OF LOAD BALANCING ============== 4209.88 LDB: ============== END OF LOAD BALANCING =============== 4209.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4209.89 LDB: ============= START OF LOAD BALANCING ============== 4210.17 LDB: Largest compute 4821 load 0.029981 is 25.5% of average load 0.117674 LDB: Average compute 0.001731 is 1.5% of average load 0.117674 LDB: TIME 4210.18 LOAD: AVG 0.117674 MAX 0.178422 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.609 MB LDB: TIME 4210.18 LOAD: AVG 0.117674 MAX 0.178422 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: TIME 4210.18 LOAD: AVG 0.117674 MAX 0.178422 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4210.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4210.18 PRESSURE: 1448400 -248.456 77.9696 -78.3824 77.9695 -318.829 -14.4344 -78.3833 -14.4324 -8.47157 GPRESSURE: 1448400 -245.368 180.584 -97.4689 -22.6085 -284.086 38.2417 -24.0008 -22.2662 50.3394 PRESSAVG: 1448400 6.11754 37.6316 20.9998 37.6316 -7.91037 28.1177 20.9998 28.1176 9.85319 GPRESSAVG: 1448400 5.87424 35.5633 19.0037 37.7375 -7.7147 27.5794 21.8493 27.9001 9.25461 TIMING: 1448400 CPU: 4207.01, 0.00295759/step Wall: 4207.01, 0.00295759/step, 2.91782 hours remaining, 205.054688 MB of memory in use. ENERGY: 1448400 754.2835 2103.2399 1972.3746 110.8478 -206030.6485 17698.1908 0.0000 0.0000 34085.5874 -149306.1245 297.6779 -183391.7119 -149214.1136 299.6464 -191.9189 -159.7046 559952.1275 2.6868 2.4714 PRESSURE: 1448600 57.5738 62.105 20.9997 62.1057 278.123 16.4335 20.9987 16.4345 210.288 GPRESSURE: 1448600 70.8574 29.4571 97.6211 53.0506 288.902 28.1843 15.4454 -16.9119 278.399 PRESSAVG: 1448600 -12.5288 31.9088 -39.1994 31.9088 14.6812 20.9715 -39.1994 20.9715 29.8649 GPRESSAVG: 1448600 -13.2068 34.4789 -37.7293 30.8572 15.4304 20.8716 -40.9905 20.9673 29.2653 TIMING: 1448600 CPU: 4207.59, 0.00290207/step Wall: 4207.59, 0.00290207/step, 2.8629 hours remaining, 205.386719 MB of memory in use. ENERGY: 1448600 794.9018 2064.7489 1944.0705 109.9019 -206549.5858 18085.1955 0.0000 0.0000 34341.8583 -149208.9089 299.9160 -183550.7672 -149108.1877 298.7616 181.9949 212.7195 556978.1130 10.6724 10.4963 PRESSURE: 1448800 50.6872 -129.485 71.1472 -129.484 -5.21933 29.2391 71.147 29.2392 -59.0062 GPRESSURE: 1448800 37.7416 -134.792 95.4291 -61.6137 31.3397 39.9553 108.478 76.3835 1.6704 PRESSAVG: 1448800 -53.7184 -25.9111 4.09536 -25.9111 36.0761 -7.2899 4.09524 -7.2898 25.8566 GPRESSAVG: 1448800 -53.1712 -26.9124 2.27951 -23.3718 35.0228 -6.48729 5.89133 -7.69777 26.0859 TIMING: 1448800 CPU: 4208.17, 0.00289415/step Wall: 4208.17, 0.00289415/step, 2.85492 hours remaining, 205.480469 MB of memory in use. ENERGY: 1448800 749.1706 2126.6074 1968.3446 125.2168 -206209.0174 17651.4898 0.0000 0.0000 34297.5221 -149290.6662 299.5288 -183588.1883 -149192.6347 298.9561 -4.5127 23.5839 557513.1843 2.7381 2.6459 PRESSURE: 1449000 -274.569 270.401 48.2613 270.4 2.96143 189.863 48.2628 189.863 -122.399 GPRESSURE: 1449000 -235.514 223.211 69.747 244.379 15.914 119.83 67.4617 103.778 -86.0374 PRESSAVG: 1449000 -35.8831 47.1415 9.9366 47.1415 -15.4256 9.8708 9.9366 9.87079 83.8569 GPRESSAVG: 1449000 -36.2408 47.5875 10.527 44.7574 -15.9377 8.60004 10.0227 11.6776 84.5304 TIMING: 1449000 CPU: 4208.75, 0.00291158/step Wall: 4208.75, 0.00291158/step, 2.87195 hours remaining, 205.480469 MB of memory in use. ENERGY: 1449000 732.9450 2049.8469 1983.3464 110.7060 -205553.9984 17469.2243 0.0000 0.0000 34144.8436 -149063.0862 298.1954 -183207.9298 -148963.8811 298.7511 -131.3354 -101.8793 557590.1472 10.8494 10.7840 PRESSURE: 1449200 -405.557 163.312 -172.016 163.311 -225.036 88.1569 -172.016 88.1569 -159.04 GPRESSURE: 1449200 -358.355 113.87 -83.0388 190.395 -176.466 78.4964 -67.109 -14.7981 -155.543 PRESSAVG: 1449200 -48.3527 43.7897 11.4465 43.7897 1.66219 19.0119 11.4466 19.0119 17.8319 GPRESSAVG: 1449200 -48.5512 42.853 11.0532 42.9162 3.24002 20.5585 11.3536 16.9838 16.6457 TIMING: 1449200 CPU: 4209.33, 0.00289939/step Wall: 4209.33, 0.00289939/step, 2.85977 hours remaining, 205.480469 MB of memory in use. ENERGY: 1449200 747.0878 2098.0711 1979.3782 121.1660 -205746.6472 17512.7232 0.0000 0.0000 34227.7893 -149060.4317 298.9198 -183288.2209 -148966.8718 299.5782 -263.2112 -230.1212 556940.8211 -9.6195 -9.5551 PRESSURE: 1449400 -40.4297 47.3442 35.4134 47.3454 -189.681 -84.1757 35.4124 -84.1779 -98.3204 GPRESSURE: 1449400 -31.8998 19.3629 18.7698 62.4451 -127.724 -23.7231 36.6573 -198.64 -67.8068 PRESSAVG: 1449400 -34.4564 47.1068 -7.20432 47.1069 -6.15696 -35.067 -7.20433 -35.0671 20.212 GPRESSAVG: 1449400 -34.5178 48.0155 -7.17222 48.5054 -6.20996 -36.302 -8.4979 -34.7095 20.6111 TIMING: 1449400 CPU: 4209.91, 0.00289425/step Wall: 4209.91, 0.00289425/step, 2.85453 hours remaining, 205.480469 MB of memory in use. ENERGY: 1449400 743.4470 2084.9924 1947.8959 119.9097 -206017.0916 17703.2969 0.0000 0.0000 34419.4367 -148998.1130 300.5935 -183417.5497 -148901.2232 299.3698 -109.4769 -75.8101 557382.7260 -6.8004 -6.7055 PRESSURE: 1449600 -116.863 31.2725 -177.136 31.2716 169.687 -186.101 -177.136 -186.101 141.352 GPRESSURE: 1449600 -74.6669 29.419 -200.827 71.9571 167.538 -96.9695 -153.368 -236.501 190.979 PRESSAVG: 1449600 -49.9284 33.1149 -36.4035 33.1148 38.5357 -33.3402 -36.4034 -33.3401 24.8613 GPRESSAVG: 1449600 -48.6235 29.7255 -37.2285 33.3957 37.066 -32.9391 -34.943 -33.6798 24.3931 TIMING: 1449600 CPU: 4210.48, 0.00288022/step Wall: 4210.48, 0.00288022/step, 2.84053 hours remaining, 205.480469 MB of memory in use. ENERGY: 1449600 750.6045 2119.5680 1966.6991 115.5958 -206086.7697 17817.7148 0.0000 0.0000 34257.9708 -149058.6168 299.1834 -183316.5876 -148962.9431 299.3325 64.7256 94.6167 555275.7121 4.4895 4.2785 PRESSURE: 1449800 55.1104 57.416 -39.3172 57.4152 9.9628 -23.5683 -39.3178 -23.5688 105.402 GPRESSURE: 1449800 119.484 -31.8508 -81.2107 104.8 57.7294 -59.8815 -11.3322 -52.2079 92.1296 PRESSAVG: 1449800 -82.1157 -15.8767 -44.2028 -15.8767 -7.10675 -14.5303 -44.2029 -14.5303 66.0534 GPRESSAVG: 1449800 -84.2211 -11.5168 -43.5811 -15.9842 -6.13148 -15.5895 -45.1638 -14.2968 67.5715 TIMING: 1449800 CPU: 4211.06, 0.00287575/step Wall: 4211.06, 0.00287575/step, 2.83596 hours remaining, 205.480469 MB of memory in use. ENERGY: 1449800 743.5683 2079.3343 1963.5318 112.5890 -206136.2349 17800.1556 0.0000 0.0000 34261.1732 -149175.8828 299.2113 -183437.0559 -149079.3244 299.4483 56.8249 89.7811 554540.9915 -7.7230 -7.5937 PRESSURE: 1450000 -225.538 6.78393 -16.6427 6.78392 -126.569 128.694 -16.6418 128.693 -344.913 GPRESSURE: 1450000 -166.948 160.336 -1.45481 -24.1337 -146.341 74.2795 -53.1564 30.1415 -295.177 PRESSAVG: 1450000 25.2153 22.2806 -30.8108 22.2806 25.6755 -8.80534 -30.8108 -8.80537 -29.8603 GPRESSAVG: 1450000 25.8963 18.5497 -31.831 24.7495 26.0532 -7.95411 -29.6832 -9.77993 -30.8822 TIMING: 1450000 CPU: 4211.64, 0.00289823/step Wall: 4211.64, 0.00289823/step, 2.85798 hours remaining, 205.480469 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: 1450000 700.0660 2116.8967 1959.9865 106.2780 -205998.1118 17380.5006 0.0000 0.0000 34548.3438 -149186.0401 301.7193 -183734.3839 -149092.1502 299.3556 -232.3399 -202.8222 556366.8479 7.0102 7.0225 PRESSURE: 1450200 256.731 95.3072 -55.7277 95.3075 -241.273 121.758 -55.7266 121.758 145.121 GPRESSURE: 1450200 304.056 80.8805 -39.3209 41.0638 -217.204 144.044 -32.1181 164.671 163.441 PRESSAVG: 1450200 26.1785 -62.8904 -3.54598 -62.8904 -22.4194 73.2036 -3.54603 73.2036 40.6763 GPRESSAVG: 1450200 26.2509 -62.4526 -1.7493 -63.3173 -22.6234 72.6541 -3.91021 73.7275 40.984 TIMING: 1450200 CPU: 4212.22, 0.00291271/step Wall: 4212.22, 0.00291271/step, 2.87209 hours remaining, 205.480469 MB of memory in use. ENERGY: 1450200 787.3484 2119.3383 1965.4234 109.8628 -206414.6443 17881.8990 0.0000 0.0000 34205.5959 -149345.1765 298.7260 -183550.7724 -149246.0132 300.0951 53.5262 83.4312 555876.8056 14.8118 14.8705 PRESSURE: 1450400 -128.917 78.6398 2.4311 78.6391 -301.723 -8.86551 2.43214 -8.86578 -160.124 GPRESSURE: 1450400 -115.188 59.9519 -68.9732 76.1949 -255.902 -56.6318 -7.45351 -1.41393 -136.444 PRESSAVG: 1450400 34.7851 -28.5773 10.1528 -28.5772 20.2462 6.64307 10.1529 6.64309 -66.4145 GPRESSAVG: 1450400 35.3554 -28.3741 11.2854 -31.5335 19.0897 5.80269 10.1386 5.67092 -65.9314 TIMING: 1450400 CPU: 4212.8, 0.00289545/step Wall: 4212.8, 0.00289545/step, 2.85491 hours remaining, 205.480469 MB of memory in use. ENERGY: 1450400 747.1633 2101.2308 1957.3448 113.9221 -205881.9668 17349.5578 0.0000 0.0000 34289.9109 -149322.8370 299.4623 -183612.7480 -149228.8519 298.7784 -196.9213 -169.1779 556622.2422 -3.7944 -3.8288 PRESSURE: 1450600 57.4889 -84.0514 1.09569 -84.0519 94.3028 -36.776 1.09424 -36.7764 -36.0507 GPRESSURE: 1450600 81.0772 26.8924 27.1935 -183.962 136.568 -58.1475 -63.7793 -42.2393 2.66233 PRESSAVG: 1450600 65.1317 44.5571 27.9356 44.5571 1.79832 77.1822 27.9357 77.1822 -68.5436 GPRESSAVG: 1450600 64.3398 47.1926 28.2271 44.8182 2.36542 79.1466 28.1772 77.7359 -67.7903 TIMING: 1450600 CPU: 4213.38, 0.00287479/step Wall: 4213.38, 0.00287479/step, 2.83438 hours remaining, 205.480469 MB of memory in use. ENERGY: 1450600 747.3884 2082.8554 1919.7238 112.7858 -206642.5679 18040.1789 0.0000 0.0000 34342.0506 -149397.5849 299.9177 -183739.6355 -149302.4381 299.4641 38.5803 73.4357 556420.6229 -0.5379 -0.3617 PRESSURE: 1450800 -54.3916 32.8065 63.4252 32.8073 180.412 -49.0194 63.4269 -49.0198 -39.729 GPRESSURE: 1450800 -29.3291 14.3633 92.7141 86.7796 209.352 -51.6963 149.871 -164.075 5.57452 PRESSAVG: 1450800 4.39382 -31.4365 31.2036 -31.4365 58.276 -29.8993 31.2037 -29.8993 -38.8258 GPRESSAVG: 1450800 4.63187 -33.8641 30.1684 -29.5921 58.3857 -31.7702 30.6755 -28.3843 -38.6476 TIMING: 1450800 CPU: 4213.95, 0.00288916/step Wall: 4213.95, 0.00288916/step, 2.84839 hours remaining, 205.480469 MB of memory in use. ENERGY: 1450800 731.1928 2144.7686 1952.3811 106.0857 -206519.4790 17903.5479 0.0000 0.0000 34278.4945 -149403.0085 299.3626 -183681.5029 -149305.4429 298.7612 28.7639 61.8659 557238.1406 7.9480 8.1233 PRESSURE: 1451000 163.94 -161.527 -152.46 -161.527 29.1646 -57.374 -152.46 -57.3748 235.494 GPRESSURE: 1451000 241.06 -155.472 -155.331 -210.326 57.237 -45.7593 -217.501 -113.963 215.297 PRESSAVG: 1451000 22.0886 -6.70224 -25.3757 -6.7023 -30.7098 -12.2409 -25.3757 -12.241 -9.68482 GPRESSAVG: 1451000 21.4402 -7.25938 -23.5415 -5.73695 -30.4587 -11.8384 -25.9432 -12.1548 -9.93626 TIMING: 1451000 CPU: 4214.53, 0.00287213/step Wall: 4214.53, 0.00287213/step, 2.83144 hours remaining, 205.480469 MB of memory in use. ENERGY: 1451000 745.7346 2115.7498 1957.5323 121.4786 -206307.3275 17993.8069 0.0000 0.0000 34077.9956 -149295.0295 297.6116 -183373.0252 -149191.2855 298.9568 142.8662 171.1979 556628.5415 -6.1020 -6.3183 PRESSURE: 1451200 -319.382 -45.5833 16.4343 -45.5847 -102.024 149.395 16.4336 149.396 -406.158 GPRESSURE: 1451200 -318.501 -174.513 32.4405 -70.798 -80.0611 90.6845 -59.4429 129.918 -334.36 PRESSAVG: 1451200 19.6722 -42.4255 -15.5515 -42.4256 80.345 11.8677 -15.5515 11.8676 -18.2607 GPRESSAVG: 1451200 20.9905 -40.692 -18.1265 -43.8533 78.7798 11.2055 -14.8719 11.2807 -18.169 TIMING: 1451200 CPU: 4215.1, 0.00287727/step Wall: 4215.1, 0.00287727/step, 2.83635 hours remaining, 205.480469 MB of memory in use. ENERGY: 1451200 780.2570 2088.5798 1937.3934 126.3206 -205910.1815 17531.3519 0.0000 0.0000 34276.9163 -149169.3624 299.3488 -183446.2787 -149077.0411 299.8890 -275.8546 -244.3071 556242.4233 27.2522 27.2004 PRESSURE: 1451400 -286.69 -65.3204 23.1193 -65.3215 182.925 -226.038 23.1189 -226.037 -465.178 GPRESSURE: 1451400 -244.367 -94.8395 25.6901 -59.1664 239.818 -117.652 -21.321 -280.934 -472.054 PRESSAVG: 1451400 0.680137 -55.3906 -25.8457 -55.3906 9.24668 3.53095 -25.8457 3.53089 -4.29237 GPRESSAVG: 1451400 -0.332268 -56.681 -26.1852 -57.1286 10.5541 3.66441 -25.5914 2.20655 -4.99339 TIMING: 1451400 CPU: 4215.68, 0.00286882/step Wall: 4215.68, 0.00286882/step, 2.82786 hours remaining, 205.480469 MB of memory in use. ENERGY: 1451400 751.9931 2099.5060 1946.5323 127.0869 -205759.6692 17469.8860 0.0000 0.0000 34299.3362 -149065.3287 299.5446 -183364.6648 -148968.4086 299.5077 -189.6474 -158.8679 557841.3544 1.8781 1.7428 PRESSURE: 1451600 -107.692 103.172 -87.3475 103.173 -43.1507 71.0173 -87.3464 71.0168 215.749 GPRESSURE: 1451600 -36.6334 147.003 -77.9538 35.2434 -54.7774 5.92591 -45.0119 67.5958 258.983 PRESSAVG: 1451600 -35.2241 -69.6597 -45.4452 -69.6596 41.7848 0.336371 -45.4453 0.336408 22.0635 GPRESSAVG: 1451600 -35.0128 -70.2839 -44.771 -68.4343 41.2082 0.722651 -47.0257 0.0191451 22.0613 TIMING: 1451600 CPU: 4216.25, 0.00287982/step Wall: 4216.25, 0.00287982/step, 2.83854 hours remaining, 205.480469 MB of memory in use. ENERGY: 1451600 767.6880 2122.0060 1998.3856 108.2377 -206366.6441 18026.3386 0.0000 0.0000 34227.7862 -149116.2021 298.9198 -183343.9882 -149017.0374 299.9831 21.6355 55.8573 557819.7893 9.5414 9.4189 PRESSURE: 1451800 -110.097 59.4867 -261.068 59.4874 -155.488 -61.9409 -261.066 -61.9419 -297.052 GPRESSURE: 1451800 -44.9354 179.661 -278.768 25.269 -216.452 -15.1655 -150.394 -115.28 -208.225 PRESSAVG: 1451800 -13.8252 -2.2842 -49.7212 -2.28416 28.2967 -3.4172 -49.7212 -3.4173 -41.8478 GPRESSAVG: 1451800 -14.7812 -1.54762 -49.198 -2.49581 27.5703 -3.04659 -49.3757 -1.86492 -40.4079 TIMING: 1451800 CPU: 4216.83, 0.00288443/step Wall: 4216.83, 0.00288443/step, 2.84292 hours remaining, 205.480469 MB of memory in use. ENERGY: 1451800 722.6766 2102.2928 1932.6032 111.8130 -205915.7429 17582.5903 0.0000 0.0000 34185.3889 -149278.3782 298.5495 -183463.7671 -149190.2729 299.0604 -187.5458 -156.5376 558747.1834 -9.1254 -9.2063 PRESSURE: 1452000 -59.0168 -81.9676 -47.4816 -81.9676 -135.165 -47.5175 -47.4801 -47.5161 -43.8504 GPRESSURE: 1452000 -37.7895 -217.496 -28.6044 -62.7712 -137.385 -35.3048 -80.1913 -44.1869 17.3415 PRESSAVG: 1452000 -13.062 5.2654 -93.5258 5.26542 40.4436 -0.933988 -93.5258 -0.933993 -50.7367 GPRESSAVG: 1452000 -12.698 4.4731 -92.6157 7.70669 41.1081 -0.902294 -93.8652 0.359147 -51.953 TIMING: 1452000 CPU: 4217.41, 0.00290294/step Wall: 4217.41, 0.00290294/step, 2.86101 hours remaining, 205.480469 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: 1452000 731.6482 2115.1878 1937.6129 133.0195 -206234.5045 17807.2149 0.0000 0.0000 34100.7432 -149409.0779 297.8103 -183509.8212 -149308.7344 298.6273 -79.3440 -52.6109 558703.0556 -7.7850 -7.8476 PRESSURE: 1452200 -279.037 -175.232 -157.537 -175.232 -230.14 30.2081 -157.536 30.207 -197.474 GPRESSURE: 1452200 -236.434 -201.286 -205.588 -190.753 -184.498 86.2399 -183.242 116.424 -189.263 PRESSAVG: 1452200 23.2517 -54.0367 -17.6601 -54.0366 -19.0851 20.8213 -17.6602 20.8214 14.5021 GPRESSAVG: 1452200 24.0566 -53.095 -15.7179 -54.5033 -19.9933 22.0133 -18.1767 20.2185 14.4431 TIMING: 1452200 CPU: 4217.99, 0.00289552/step Wall: 4217.99, 0.00289552/step, 2.85353 hours remaining, 205.480469 MB of memory in use. ENERGY: 1452200 726.9188 2132.4758 1948.3418 117.5874 -206159.4578 17612.3245 0.0000 0.0000 34164.1901 -149457.6193 298.3644 -183621.8095 -149361.5744 298.5801 -235.5502 -203.3983 557918.0825 6.2229 6.1688 LDB: ============= START OF LOAD BALANCING ============== 4221.45 LDB: ============== END OF LOAD BALANCING =============== 4221.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4221.46 LDB: ============= START OF LOAD BALANCING ============== 4221.75 LDB: Largest compute 4821 load 0.029347 is 24.9% of average load 0.117721 LDB: Average compute 0.001730 is 1.5% of average load 0.117721 LDB: TIME 4221.75 LOAD: AVG 0.117721 MAX 0.176888 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.152 MB LDB: TIME 4221.75 LOAD: AVG 0.117721 MAX 0.176888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.152 MB LDB: TIME 4221.75 LOAD: AVG 0.117721 MAX 0.176888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4221.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4221.75 PRESSURE: 1452400 -54.2292 -212.606 -61.2974 -212.606 -240.493 -52.0378 -61.2971 -52.0386 -139.187 GPRESSURE: 1452400 -52.3149 -110.414 -32.225 -222.67 -184.952 -3.30783 -78.6203 -6.49068 -103.117 PRESSAVG: 1452400 13.758 -47.1349 -13.5951 -47.1348 0.266218 8.73465 -13.5952 8.73462 21.8908 GPRESSAVG: 1452400 13.1622 -48.4112 -16.0031 -48.7635 0.407102 7.73951 -11.0103 10.4122 21.8643 TIMING: 1452400 CPU: 4218.58, 0.00294665/step Wall: 4218.58, 0.00294665/step, 2.90376 hours remaining, 205.359375 MB of memory in use. ENERGY: 1452400 747.4320 2067.7998 1976.2189 126.4879 -206300.6595 17659.4054 0.0000 0.0000 34266.0722 -149457.2434 299.2541 -183723.3155 -149364.3833 298.9770 -144.6364 -113.4615 556467.0930 11.9717 11.8112 PRESSURE: 1452600 164.675 -50.5741 -219.413 -50.5732 -47.8043 56.953 -219.412 56.9535 -7.79774 GPRESSURE: 1452600 185.519 -25.5364 -136.651 -62.5235 -2.20001 66.2683 -357.814 21.4477 1.84616 PRESSAVG: 1452600 52.5548 -39.8789 -54.0333 -39.879 -9.09529 -27.099 -54.0333 -27.0989 -13.8932 GPRESSAVG: 1452600 52.3633 -39.5932 -52.7839 -39.4907 -8.25171 -28.4547 -55.4998 -28.0776 -14.7413 TIMING: 1452600 CPU: 4219.15, 0.00287817/step Wall: 4219.15, 0.00287817/step, 2.83611 hours remaining, 205.562500 MB of memory in use. ENERGY: 1452600 781.1226 2099.8782 1958.7396 118.3267 -206705.1073 18008.4091 0.0000 0.0000 34339.1974 -149399.4338 299.8928 -183738.6311 -149297.2065 299.2348 36.3575 61.7217 557133.5931 9.8555 9.7901 PRESSURE: 1452800 41.5182 114.026 -102.043 114.025 151.45 15.5808 -102.043 15.5816 53.7022 GPRESSURE: 1452800 50.6592 88.1787 -193.409 107.11 169.246 -2.20946 -3.6525 -60.9009 107.607 PRESSAVG: 1452800 46.6443 -7.99085 -95.8084 -7.99079 -18.5663 1.70139 -95.8085 1.70142 -64.3536 GPRESSAVG: 1452800 47.337 -7.06224 -98.7056 -7.47149 -18.9143 3.32564 -95.4965 -0.320978 -65.069 TIMING: 1452800 CPU: 4219.73, 0.00288528/step Wall: 4219.73, 0.00288528/step, 2.84296 hours remaining, 205.687500 MB of memory in use. ENERGY: 1452800 724.2017 2096.1013 1961.2468 111.7579 -206443.6015 17866.9797 0.0000 0.0000 34374.8441 -149308.4701 300.2041 -183683.3142 -149206.0165 298.6320 82.2234 109.1707 556713.0325 -12.0919 -12.2154 PRESSURE: 1453000 203.695 41.576 -10.3366 41.575 -119.311 126.141 -10.3359 126.142 19.0229 GPRESSURE: 1453000 235.296 59.0311 52.7228 33.6518 -86.5577 139.253 -102.552 73.4385 49.8051 PRESSAVG: 1453000 21.1192 16.6372 5.64421 16.6372 10.3931 37.5866 5.64427 37.5865 -57.4309 GPRESSAVG: 1453000 20.361 15.9127 8.08348 17.6794 10.46 36.9788 5.16423 38.9435 -56.7653 TIMING: 1453000 CPU: 4220.31, 0.00289817/step Wall: 4220.31, 0.00289817/step, 2.8555 hours remaining, 205.687500 MB of memory in use. ENERGY: 1453000 735.1768 2060.0314 1975.4438 115.2993 -206731.9292 17940.9334 0.0000 0.0000 34510.4114 -149394.6331 301.3880 -183905.0445 -149293.3860 300.1459 34.4687 66.1810 556192.5904 -8.6395 -8.6481 PRESSURE: 1453200 20.3113 8.96461 -135.426 8.96492 173.985 9.29287 -135.426 9.29354 -13.3771 GPRESSURE: 1453200 84.3128 -0.47493 -176.309 -21.6196 196.117 29.9517 -149.197 -39.6946 -4.21 PRESSAVG: 1453200 44.0366 25.3884 -57.5578 25.3884 -48.9728 22.2506 -57.5578 22.2506 0.161188 GPRESSAVG: 1453200 43.7865 25.0961 -57.3975 24.7603 -48.332 20.1412 -58.0309 22.9034 0.364582 TIMING: 1453200 CPU: 4220.89, 0.00288299/step Wall: 4220.89, 0.00288299/step, 2.84038 hours remaining, 205.687500 MB of memory in use. ENERGY: 1453200 699.7435 2114.1481 1976.1830 110.0138 -206521.6469 17915.9977 0.0000 0.0000 34250.6065 -149454.9542 299.1191 -183705.5607 -149356.8855 299.1803 60.3063 92.0731 556657.3551 -1.5917 -1.3936 PRESSURE: 1453400 -114.678 -36.8424 91.1347 -36.8423 -26.2163 26.0664 91.1342 26.0661 -7.06893 GPRESSURE: 1453400 -97.4338 -47.9675 98.6717 -88.5991 7.90923 -31.9353 74.7512 33.0507 31.9077 PRESSAVG: 1453400 62.3413 27.3161 -24.7897 27.3161 33.1784 -56.9482 -24.7897 -56.9481 -109.536 GPRESSAVG: 1453400 63.4982 29.251 -26.052 27.0039 32.3485 -57.0169 -23.727 -56.5568 -109.879 TIMING: 1453400 CPU: 4221.47, 0.00289461/step Wall: 4221.47, 0.00289461/step, 2.85168 hours remaining, 205.687500 MB of memory in use. ENERGY: 1453400 710.1931 2053.5946 1955.6693 104.7404 -206180.1107 17628.5320 0.0000 0.0000 34305.4070 -149421.9742 299.5977 -183727.3813 -149323.9255 298.3990 -49.3210 -19.2056 557633.2861 -4.6722 -4.6774 PRESSURE: 1453600 -130.587 128.709 -129.928 128.711 -127.98 37.0643 -129.929 37.0641 -195.268 GPRESSURE: 1453600 -106.618 111.884 -86.3931 153.185 -144.938 43.9448 -31.5923 62.7995 -119.143 PRESSAVG: 1453600 -7.12926 28.976 -7.7567 28.976 50.9274 -25.0339 -7.75668 -25.0339 -29.9513 GPRESSAVG: 1453600 -7.06635 26.3189 -5.99111 30.8094 50.3921 -20.7393 -10.0254 -26.2947 -29.7288 TIMING: 1453600 CPU: 4222.05, 0.00290527/step Wall: 4222.05, 0.00290527/step, 2.86201 hours remaining, 205.687500 MB of memory in use. ENERGY: 1453600 754.0067 2105.6349 1952.7176 109.1019 -206125.5692 17593.1019 0.0000 0.0000 34175.5259 -149435.4803 298.4634 -183611.0062 -149345.9753 298.1351 -151.2784 -123.5661 559916.4537 4.6156 4.5323 PRESSURE: 1453800 270.936 -100.801 100.993 -100.801 -308.848 -60.8688 100.995 -60.8712 -96.6452 GPRESSURE: 1453800 214.294 -140.62 82.549 -130.449 -229.954 -108.759 106.858 -6.05825 -22.2523 PRESSAVG: 1453800 -9.22755 -6.29808 5.90003 -6.29811 16.4761 -25.2458 5.90011 -25.2457 -30.533 GPRESSAVG: 1453800 -9.28992 -5.20514 5.13602 -8.42117 16.5303 -27.878 7.21057 -23.8856 -30.4732 TIMING: 1453800 CPU: 4222.63, 0.00293097/step Wall: 4222.63, 0.00293097/step, 2.88717 hours remaining, 205.687500 MB of memory in use. ENERGY: 1453800 739.3046 2143.3891 1952.4699 108.5632 -206038.4640 17806.7917 0.0000 0.0000 34083.9855 -149203.9602 297.6639 -183287.9456 -149112.4276 298.2658 -44.8524 -12.6372 557721.2049 -7.7615 -7.7443 PRESSURE: 1454000 158.504 -118.106 82.1787 -118.106 210.862 -118.422 82.1778 -118.423 39.1361 GPRESSURE: 1454000 184.003 -125.618 75.9027 -141.517 244.399 -101.067 17.5832 -132.793 73.1841 PRESSAVG: 1454000 42.9425 37.4887 -68.642 37.4887 18.8313 -10.4394 -68.642 -10.4394 -46.9354 GPRESSAVG: 1454000 43.3307 38.5197 -70.2089 37.6629 18.3621 -8.8383 -68.4332 -13.4808 -47.0374 TIMING: 1454000 CPU: 4223.22, 0.00294385/step Wall: 4223.22, 0.00294385/step, 2.89969 hours remaining, 205.687500 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: 1454000 722.8582 2115.1887 1959.9641 122.2555 -206020.8352 17831.7513 0.0000 0.0000 34162.8231 -149105.9943 298.3524 -183268.8174 -149010.1381 299.0345 136.1674 167.1954 557332.2028 4.9461 4.8851 PRESSURE: 1454200 -36.9965 -43.4338 58.9088 -43.4349 -370.68 149.776 58.9095 149.775 -109.663 GPRESSURE: 1454200 38.1273 3.672 117.186 -117.034 -330.16 101.666 5.46402 198.159 -126.464 PRESSAVG: 1454200 31.5971 -18.5311 -5.07249 -18.5312 -57.3936 12.7383 -5.07252 12.7382 -6.14301 GPRESSAVG: 1454200 31.627 -18.8388 -4.00929 -19.4529 -59.1437 12.9348 -6.27285 14.1516 -4.79981 TIMING: 1454200 CPU: 4223.8, 0.00290742/step Wall: 4223.8, 0.00290742/step, 2.86365 hours remaining, 205.925781 MB of memory in use. ENERGY: 1454200 763.9678 2105.1761 1971.0903 121.7673 -205692.6114 17506.4030 0.0000 0.0000 34130.1693 -149094.0375 298.0673 -183224.2068 -148995.9165 299.5858 -172.4464 -139.4990 559555.3045 -10.6465 -10.7722 PRESSURE: 1454400 -60.7153 76.6409 -156.866 76.6417 8.41624 -130.248 -156.867 -130.247 249.1 GPRESSURE: 1454400 -8.79086 18.6842 -210.82 132.197 38.9034 -148.117 -235.763 -157.63 274.364 PRESSAVG: 1454400 -72.8507 -32.4952 -51.6302 -32.4951 -15.943 -28.3532 -51.6302 -28.3534 46.4934 GPRESSAVG: 1454400 -73.6925 -33.8521 -50.4454 -31.8602 -13.8004 -30.0336 -51.0114 -25.7499 45.781 TIMING: 1454400 CPU: 4224.38, 0.00288099/step Wall: 4224.38, 0.00288099/step, 2.83746 hours remaining, 205.925781 MB of memory in use. ENERGY: 1454400 772.4088 2088.6995 1984.3657 127.9865 -206435.6636 17948.1188 0.0000 0.0000 34352.7535 -149161.3308 300.0111 -183514.0843 -149062.8145 299.8088 65.6004 101.4921 556162.2475 -14.1001 -13.9040 PRESSURE: 1454600 -268 -39.1289 -120.218 -39.1283 -88.0238 -60.7855 -120.219 -60.7858 23.5388 GPRESSURE: 1454600 -195.305 18.0979 -171.403 -83.1763 -21.8632 -75.5746 -124.779 -61.4175 -14.7992 PRESSAVG: 1454600 4.13114 -25.0616 -51.9915 -25.0616 -38.4259 -42.7833 -51.9915 -42.7833 23.9498 GPRESSAVG: 1454600 4.37759 -23.6493 -53.1656 -25.1815 -39.1177 -43.3176 -51.7834 -44.541 24.6025 TIMING: 1454600 CPU: 4224.96, 0.00290993/step Wall: 4224.96, 0.00290993/step, 2.8658 hours remaining, 205.925781 MB of memory in use. ENERGY: 1454600 739.1877 2086.2210 1959.1192 122.8372 -205892.3476 17675.6684 0.0000 0.0000 34261.6058 -149047.7084 299.2151 -183309.3142 -148949.0412 299.0232 -110.8283 -77.3224 558300.9829 -3.4483 -3.3792 PRESSURE: 1454800 118.468 82.1102 113.138 82.1099 -167.516 75.4908 113.137 75.4912 335.73 GPRESSURE: 1454800 135.323 37.0908 85.3222 76.6442 -113.332 44.3755 67.1672 110.639 352.469 PRESSAVG: 1454800 -38.3729 37.3028 31.101 37.3028 12.3999 -9.096 31.101 -9.09605 -12.4548 GPRESSAVG: 1454800 -36.8824 34.6957 30.3494 37.7216 12.689 -9.35051 32.2632 -9.26147 -14.003 TIMING: 1454800 CPU: 4225.55, 0.00292578/step Wall: 4225.55, 0.00292578/step, 2.88124 hours remaining, 205.925781 MB of memory in use. ENERGY: 1454800 757.1597 2083.7207 1962.1523 116.2287 -206151.8132 18017.9930 0.0000 0.0000 34310.0292 -148904.5295 299.6380 -183214.5587 -148801.6859 299.6311 95.5605 124.8199 556696.6978 -12.8093 -12.7322 PRESSURE: 1455000 142.117 36.2851 -18.7095 36.285 -83.8951 -11.2817 -18.7097 -11.281 200.794 GPRESSURE: 1455000 231.057 -18.2967 -36.4643 87.485 -84.3093 12.5092 32.6447 6.02129 197.261 PRESSAVG: 1455000 62.5769 18.0363 25.2413 18.0363 -42.9151 -18.4516 25.2413 -18.4516 13.0306 GPRESSAVG: 1455000 61.8524 19.9578 25.6324 19.3289 -43.671 -16.2198 27.1074 -18.5896 14.833 TIMING: 1455000 CPU: 4226.13, 0.00291207/step Wall: 4226.13, 0.00291207/step, 2.86758 hours remaining, 205.925781 MB of memory in use. ENERGY: 1455000 805.3862 2106.9625 1964.6519 111.0300 -206387.9524 18129.3816 0.0000 0.0000 34436.1705 -148834.3697 300.7396 -183270.5402 -148743.9833 300.6413 86.3385 114.6695 558938.4083 10.8974 11.0048 PRESSURE: 1455200 -73.5533 -41.8999 16.8133 -41.8999 -108.27 -163.932 16.812 -163.932 187.37 GPRESSURE: 1455200 -94.2168 -106.352 108.686 -2.91948 -73.6941 -188.7 -36.7557 -171.558 267.839 PRESSAVG: 1455200 -15.2549 16.8592 4.04203 16.8592 -37.2276 -21.6011 4.04201 -21.601 114.522 GPRESSAVG: 1455200 -15.1435 18.4774 4.02719 15.1086 -35.8583 -22.2265 1.77125 -22.522 113.301 TIMING: 1455200 CPU: 4226.71, 0.00290028/step Wall: 4226.71, 0.00290028/step, 2.85581 hours remaining, 205.925781 MB of memory in use. ENERGY: 1455200 760.0031 2103.1314 1967.0447 123.7071 -206220.2090 18078.0759 0.0000 0.0000 34350.4435 -148837.8033 299.9910 -183188.2468 -148735.1803 300.1732 1.8488 33.3095 559559.2698 20.6799 20.7665 PRESSURE: 1455400 -78.4038 -50.0488 240.984 -50.048 -153.132 -58.6261 240.984 -58.6259 -201.89 GPRESSURE: 1455400 -50.4727 -30.4699 198.042 26.3567 -171.599 -3.41186 228.488 -39.9186 -115.33 PRESSAVG: 1455400 -25.9132 21.2875 23.8799 21.2876 -32.2615 -44.8385 23.8801 -44.8384 98.1705 GPRESSAVG: 1455400 -25.8682 19.4055 22.3317 21.549 -34.3227 -44.9069 23.1763 -43.3847 99.5512 TIMING: 1455400 CPU: 4227.29, 0.00291547/step Wall: 4227.29, 0.00291547/step, 2.87061 hours remaining, 205.925781 MB of memory in use. ENERGY: 1455400 756.2503 2040.1980 1954.8728 116.2351 -206024.1436 17658.3859 0.0000 0.0000 34504.4404 -148993.7611 301.3359 -183498.2015 -148900.1322 300.0441 -144.4752 -112.4673 558316.9899 13.3319 13.1201 PRESSURE: 1455600 35.2685 10.3335 45.1912 10.3341 -71.1166 45.9209 45.1915 45.92 -36.6379 GPRESSURE: 1455600 46.4116 33.8467 55.2524 54.8445 -75.7254 -26.6315 -15.5727 36.3522 50.5299 PRESSAVG: 1455600 58.4706 25.4258 38.5218 25.4257 -45.6376 -11.8412 38.5219 -11.8412 -9.37259 GPRESSAVG: 1455600 56.98 24.5107 38.2796 23.7082 -43.158 -11.8743 38.2873 -11.937 -9.78149 TIMING: 1455600 CPU: 4227.87, 0.00290433/step Wall: 4227.87, 0.00290433/step, 2.85947 hours remaining, 205.964844 MB of memory in use. ENERGY: 1455600 776.7447 2117.1096 1960.4153 113.8152 -205680.0426 17696.7395 0.0000 0.0000 34069.2427 -148945.9756 297.5352 -183015.2183 -148854.1923 299.4443 -24.1620 7.0721 558682.2458 1.1534 1.3468 PRESSURE: 1455800 -110.437 172.685 -151.032 172.685 -353.939 215.988 -151.032 215.988 -203.363 GPRESSURE: 1455800 -30.4331 118.985 -142.292 188.501 -326.541 195.284 -130.156 196.465 -224.332 PRESSAVG: 1455800 -9.07963 23.7896 25.5149 23.7896 -5.00587 -6.50379 25.515 -6.50391 -0.401075 GPRESSAVG: 1455800 -9.10335 24.0422 27.2299 24.8629 -5.18608 -7.67192 26.1596 -8.03256 0.0656384 TIMING: 1455800 CPU: 4228.46, 0.00291486/step Wall: 4228.46, 0.00291486/step, 2.86968 hours remaining, 205.964844 MB of memory in use. ENERGY: 1455800 754.2931 2059.0623 1984.3035 109.4112 -205661.3060 17439.2357 0.0000 0.0000 34370.2115 -148944.7886 300.1636 -183315.0002 -148847.6543 299.6403 -222.5795 -193.7686 557969.4263 -4.8289 -4.7413 PRESSURE: 1456000 60.3418 18.6194 125.212 18.6198 72.6891 116.72 125.21 116.72 366.808 GPRESSURE: 1456000 103.053 -24.0438 175.195 11.7422 67.4336 21.0794 146.061 75.4313 412.116 PRESSAVG: 1456000 -23.5609 4.84643 -16.3229 4.84638 -71.168 5.69559 -16.3229 5.6956 31.2986 GPRESSAVG: 1456000 -23.7301 5.38053 -14.8809 3.79835 -70.4024 6.00526 -18.1067 6.1401 30.3895 TIMING: 1456000 CPU: 4229.04, 0.00289813/step Wall: 4229.04, 0.00289813/step, 2.85305 hours remaining, 205.964844 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: 1456000 744.5973 2099.5999 1953.6867 114.2261 -206144.1864 17968.5496 0.0000 0.0000 34378.7537 -148884.7731 300.2382 -183263.5268 -148798.4169 300.3260 166.6129 194.2010 556037.8135 -21.1434 -21.2476 PRESSURE: 1456200 -213.771 62.2613 130.312 62.2624 -42.4328 -178.046 130.312 -178.046 -161.091 GPRESSURE: 1456200 -151.487 -51.4913 119.928 92.6114 -58.0703 -148.404 113.44 -162.476 -112.458 PRESSAVG: 1456200 -20.8969 2.8383 37.2463 2.83836 5.20934 -22.1544 37.2463 -22.1546 32.7327 GPRESSAVG: 1456200 -20.6383 2.97412 35.0992 2.01601 4.93906 -20.7154 38.2404 -23.0078 32.0921 TIMING: 1456200 CPU: 4229.61, 0.00288186/step Wall: 4229.61, 0.00288186/step, 2.83687 hours remaining, 205.964844 MB of memory in use. ENERGY: 1456200 731.6589 2079.1778 1975.8461 109.4865 -205889.8019 17556.9567 0.0000 0.0000 34417.6995 -149018.9764 300.5783 -183436.6760 -148918.1996 300.1659 -139.0985 -107.3385 557609.2276 5.6817 5.4643 LDB: ============= START OF LOAD BALANCING ============== 4233.07 LDB: ============== END OF LOAD BALANCING =============== 4233.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4233.08 LDB: ============= START OF LOAD BALANCING ============== 4233.36 LDB: Largest compute 4821 load 0.030039 is 25.5% of average load 0.117691 LDB: Average compute 0.001747 is 1.5% of average load 0.117691 LDB: TIME 4233.37 LOAD: AVG 0.117691 MAX 0.178911 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 4233.37 LOAD: AVG 0.117691 MAX 0.178911 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: TIME 4233.37 LOAD: AVG 0.117691 MAX 0.178911 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: ============== END OF LOAD BALANCING =============== 4233.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4233.37 PRESSURE: 1456400 -313.165 15.3125 70.0474 15.3137 -78.1973 89.6151 70.0469 89.6144 105.072 GPRESSURE: 1456400 -299.675 -24.1727 6.91272 -18.3261 -44.7935 61.9503 174.539 -10.255 155.55 PRESSAVG: 1456400 -57.554 -5.16108 89.2335 -5.16114 -14.0175 -64.1991 89.2336 -64.1991 44.8498 GPRESSAVG: 1456400 -57.7197 -5.60984 90.5945 -4.45203 -15.1259 -65.3177 89.5029 -65.1509 46.5759 TIMING: 1456400 CPU: 4230.2, 0.00291791/step Wall: 4230.2, 0.00291791/step, 2.8722 hours remaining, 205.082031 MB of memory in use. ENERGY: 1456400 716.3616 2101.3165 1965.2396 122.7940 -205717.3963 17555.1765 0.0000 0.0000 34025.0460 -149231.4621 297.1492 -183256.5081 -149134.9816 299.0800 -95.4301 -62.9726 557885.1263 -8.9072 -8.7566 PRESSURE: 1456600 -143.871 -88.2793 126.194 -88.2785 183.33 -107.371 126.195 -107.37 -62.7647 GPRESSURE: 1456600 -75.7349 -194.203 174.456 -29.16 160.663 -96.328 135.94 -138.469 12.912 PRESSAVG: 1456600 -3.63173 21.4707 25.6128 21.4707 15.6994 -47.3325 25.6128 -47.3325 0.708496 GPRESSAVG: 1456600 -3.41031 20.5129 24.7088 23.0886 16.2479 -44.7388 26.9727 -47.8709 0.12887 TIMING: 1456600 CPU: 4230.77, 0.00286787/step Wall: 4230.77, 0.00286787/step, 2.82278 hours remaining, 205.082031 MB of memory in use. ENERGY: 1456600 758.1249 2072.2783 1962.1622 102.9649 -206362.6380 17853.5772 0.0000 0.0000 34354.9688 -149258.5617 300.0305 -183613.5305 -149152.7015 298.7081 -7.7687 32.6135 556983.1162 4.2587 4.3222 PRESSURE: 1456800 151.707 -3.58333 -70.0161 -3.58468 231.186 -31.2904 -70.017 -31.29 110.833 GPRESSURE: 1456800 233.386 -24.8047 -149.085 3.15944 266.977 -59.1151 26.9405 -7.48761 71.5336 PRESSAVG: 1456800 -61.0551 24.7992 0.283268 24.7993 61.1981 -8.29982 0.283248 -8.29991 -1.43106 GPRESSAVG: 1456800 -60.4018 26.226 -0.10226 24.9627 60.6609 -10.7809 0.0632051 -7.79046 -1.82526 TIMING: 1456800 CPU: 4231.35, 0.0028981/step Wall: 4231.35, 0.0028981/step, 2.85238 hours remaining, 205.082031 MB of memory in use. ENERGY: 1456800 718.4138 2075.9359 1968.8634 113.2536 -206479.6373 18041.8089 0.0000 0.0000 34267.2640 -149294.0978 299.2645 -183561.3618 -149195.8375 298.6675 164.5750 190.6323 556263.6750 -0.4293 -0.5221 PRESSURE: 1457000 -186.403 -41.8966 10.0935 -41.8959 -28.0395 58.8762 10.0938 58.8757 -141.003 GPRESSURE: 1457000 -162.918 -73.6806 26.804 22.4134 5.38339 75.3228 -41.9064 44.195 -118.591 PRESSAVG: 1457000 -53.1463 14.8162 32.9197 14.8161 70.1142 -30.6951 32.9197 -30.6953 4.935 GPRESSAVG: 1457000 -55.0534 14.3397 33.0853 14.1578 71.6352 -29.559 30.7087 -30.5103 5.46008 TIMING: 1457000 CPU: 4231.93, 0.00290573/step Wall: 4231.93, 0.00290573/step, 2.85972 hours remaining, 205.082031 MB of memory in use. ENERGY: 1457000 771.3137 2122.0317 1979.4701 117.9454 -206477.6089 17865.8165 0.0000 0.0000 34335.1425 -149285.8889 299.8573 -183621.0314 -149195.4260 299.0528 -118.4819 -92.0418 558793.2076 7.3010 7.3473 PRESSURE: 1457200 -163.884 24.5168 -152.914 24.5161 -199.25 37.9735 -152.914 37.9723 166.73 GPRESSURE: 1457200 -127.973 21.3685 -120.386 53.8732 -217.815 -3.96628 -170.957 45.5581 252.901 PRESSAVG: 1457200 -1.09421 -29.6176 -32.0874 -29.6176 7.55845 1.27065 -32.0873 1.27064 -1.72328 GPRESSAVG: 1457200 0.407097 -29.6524 -29.3567 -28.8173 7.13442 1.9093 -32.8504 2.50521 -2.77393 TIMING: 1457200 CPU: 4232.51, 0.00289581/step Wall: 4232.51, 0.00289581/step, 2.8498 hours remaining, 205.082031 MB of memory in use. ENERGY: 1457200 727.2679 2068.9725 1969.7012 115.7674 -206305.9359 17885.5849 0.0000 0.0000 34198.3640 -149340.2781 298.6628 -183538.6420 -149246.3514 298.6348 -65.4678 -30.9625 556662.6592 1.5803 1.5892 PRESSURE: 1457400 87.7978 65.3622 89.5823 65.3633 48.9356 98.8262 89.5819 98.8266 -164.576 GPRESSURE: 1457400 153.506 -51.9268 154.972 69.1666 99.9691 93.0658 37.8698 56.0471 -185.854 PRESSAVG: 1457400 68.125 41.95 -47.8417 41.9501 -20.5517 1.66996 -47.8416 1.66991 -31.8782 GPRESSAVG: 1457400 68.4766 43.4545 -51.0581 40.7662 -22.2329 1.82431 -46.0986 0.253294 -30.6899 TIMING: 1457400 CPU: 4233.09, 0.00288859/step Wall: 4233.09, 0.00288859/step, 2.84253 hours remaining, 205.082031 MB of memory in use. ENERGY: 1457400 698.6944 2032.6166 1963.7416 111.8023 -206376.9046 17920.7130 0.0000 0.0000 34417.1698 -149232.1669 300.5737 -183649.3368 -149134.6965 299.3145 -9.2809 22.5405 558089.2681 5.2317 5.1846 PRESSURE: 1457600 189.497 -44.3941 -225.8 -44.3947 -151.263 160.912 -225.8 160.911 -73.804 GPRESSURE: 1457600 165.37 -22.1315 -221.443 -61.1072 -72.1046 44.6197 -129.02 212.861 -22.9648 PRESSAVG: 1457600 43.5429 -28.9692 -1.87192 -28.9691 -10.362 45.0274 -1.87195 45.0275 -12.0489 GPRESSAVG: 1457600 42.6499 -30.3592 -0.531423 -28.5016 -9.83137 43.4554 -0.51652 46.9108 -11.5561 TIMING: 1457600 CPU: 4233.67, 0.00289206/step Wall: 4233.67, 0.00289206/step, 2.84578 hours remaining, 205.082031 MB of memory in use. ENERGY: 1457600 738.0001 2000.9300 1962.0881 105.1962 -206195.8300 17889.6572 0.0000 0.0000 34289.0471 -149210.9114 299.4548 -183499.9585 -149115.1821 298.7758 -11.8568 23.4334 556860.4800 7.0440 7.0875 PRESSURE: 1457800 -198.122 34.6536 -75.3441 34.6542 -67.9893 127.772 -75.3428 127.772 37.9818 GPRESSURE: 1457800 -143.363 77.7194 -21.2172 11.3574 -25.4991 94.6978 6.36221 154.443 34.2347 PRESSAVG: 1457800 27.6542 -9.53338 -36.1201 -9.53327 -85.4415 35.5688 -36.12 35.5687 33.2714 GPRESSAVG: 1457800 29.0698 -9.8791 -34.4036 -9.57192 -84.619 36.734 -38.5826 31.5407 31.1134 TIMING: 1457800 CPU: 4234.25, 0.00291037/step Wall: 4234.25, 0.00291037/step, 2.86365 hours remaining, 205.082031 MB of memory in use. ENERGY: 1457800 727.9047 2099.8920 1960.9536 101.3404 -206508.9740 17836.5733 0.0000 0.0000 34397.5204 -149384.7896 300.4021 -183782.3100 -149283.9194 299.2782 -76.0433 -44.8759 556280.1719 -8.1720 -8.1453 PRESSURE: 1458000 186.614 -176.518 29.3697 -176.517 -20.7386 -27.2243 29.3709 -27.2225 -254.521 GPRESSURE: 1458000 170.496 -248.549 -47.2982 -32.6571 51.8701 -41.5527 65.922 -35.933 -219.839 PRESSAVG: 1458000 30.7344 22.1379 -55.6736 22.1379 19.2895 -22.9603 -55.6736 -22.9603 -29.3635 GPRESSAVG: 1458000 28.7553 23.4114 -57.6633 21.8696 19.6548 -24.1605 -53.4136 -19.5445 -28.5288 TIMING: 1458000 CPU: 4234.83, 0.00291605/step Wall: 4234.83, 0.00291605/step, 2.86907 hours remaining, 205.082031 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: 1458000 749.8668 2073.1825 1962.1892 119.5496 -206129.0463 17951.9649 0.0000 0.0000 33903.7348 -149368.5586 296.0897 -183272.2933 -149276.1764 298.1958 -29.5485 0.8425 557358.0290 6.8868 6.6271 PRESSURE: 1458200 153.349 -239.74 18.5903 -239.739 273.841 -168.628 18.59 -168.629 173.163 GPRESSURE: 1458200 270.719 -282.509 65.1806 -151.261 313.795 -107.454 38.422 -141.862 110.832 PRESSAVG: 1458200 41.075 26.6593 -10.3074 26.6593 36.2651 3.55516 -10.3074 3.55518 -43.0453 GPRESSAVG: 1458200 41.6365 26.3099 -11.0084 27.2117 35.0627 3.96474 -11.8523 4.70574 -42.5271 TIMING: 1458200 CPU: 4235.41, 0.00291039/step Wall: 4235.41, 0.00291039/step, 2.86334 hours remaining, 205.082031 MB of memory in use. ENERGY: 1458200 743.3700 2095.1837 1954.3194 115.5631 -206665.5963 18092.3328 0.0000 0.0000 34117.9163 -149546.9109 297.9602 -183664.8272 -149453.7108 298.9807 200.1177 231.7818 556855.4869 11.4316 11.3907 PRESSURE: 1458400 153.659 -230.455 -161.942 -230.455 46.1309 -56.363 -161.941 -56.3627 -184.942 GPRESSURE: 1458400 148.968 -210.907 -115.069 -255.152 105.071 -71.7088 -227.927 4.60091 -145.162 PRESSAVG: 1458400 -15.5129 27.9392 5.84802 27.9394 -4.2963 -20.1323 5.84793 -20.1323 -26.1549 GPRESSAVG: 1458400 -14.2574 27.5796 5.70961 27.8462 -4.73191 -19.6151 7.071 -23.7174 -26.7247 TIMING: 1458400 CPU: 4235.99, 0.00290013/step Wall: 4235.99, 0.00290013/step, 2.85309 hours remaining, 205.285156 MB of memory in use. ENERGY: 1458400 725.2595 2096.3541 1984.9845 127.8318 -206108.4869 17647.5740 0.0000 0.0000 34082.9323 -149443.5506 297.6547 -183526.4829 -149341.2364 298.9667 4.9491 36.2924 557010.2460 -15.3214 -15.2380 PRESSURE: 1458600 -495.067 -74.6234 -201.818 -74.6235 -91.6896 -112.604 -201.818 -112.604 7.31493 GPRESSURE: 1458600 -456.475 -157.214 -280.352 6.30524 -90.7501 -133.057 -181.88 -76.9833 50.3581 PRESSAVG: 1458600 20.4292 -14.8314 -87.6896 -14.8314 54.4095 37.1693 -87.6896 37.1693 -65.3978 GPRESSAVG: 1458600 19.149 -17.9762 -86.9956 -13.5349 55.2473 34.9557 -87.7801 39.1771 -64.7872 TIMING: 1458600 CPU: 4236.57, 0.00287499/step Wall: 4236.57, 0.00287499/step, 2.82819 hours remaining, 205.285156 MB of memory in use. ENERGY: 1458600 777.4313 2090.4583 1941.5624 114.2774 -206094.7976 17552.7855 0.0000 0.0000 34248.7036 -149369.5791 299.1024 -183618.2827 -149270.8602 298.7503 -193.1473 -165.6223 557246.5490 3.1470 3.2030 PRESSURE: 1458800 101.319 -181.5 -121.031 -181.499 -18.6295 251.798 -121.032 251.797 18.3708 GPRESSURE: 1458800 136.467 -163.677 -116.232 -172.062 2.56282 217.567 -148.61 316.696 54.6434 PRESSAVG: 1458800 18.1632 -78.1674 -25.7559 -78.1675 -0.419205 35.387 -25.7559 35.387 -25.1459 GPRESSAVG: 1458800 18.3347 -76.4312 -26.2273 -78.8121 -0.690091 36.878 -25.3824 34.4142 -24.4584 TIMING: 1458800 CPU: 4237.15, 0.00288126/step Wall: 4237.15, 0.00288126/step, 2.8342 hours remaining, 205.285156 MB of memory in use. ENERGY: 1458800 745.7820 2127.0140 1947.9026 117.2645 -206243.2999 17875.8654 0.0000 0.0000 34113.8134 -149315.6580 297.9244 -183429.4714 -149223.8400 298.6695 33.6868 64.5578 558325.3946 -2.4673 -2.2713 PRESSURE: 1459000 -356.888 -3.0433 91.0823 -3.04141 142.289 -9.27955 91.0833 -9.27931 -173.351 GPRESSURE: 1459000 -319.269 12.6294 122.609 -15.2079 176.292 -66.3813 77.6093 48.0587 -148.862 PRESSAVG: 1459000 -60.3212 12.6339 -19.0771 12.6339 56.7485 51.471 -19.0771 51.471 -31.4652 GPRESSAVG: 1459000 -59.4024 13.3525 -20.5149 10.4198 56.3018 51.8514 -18.372 49.8261 -31.7712 TIMING: 1459000 CPU: 4237.72, 0.00287144/step Wall: 4237.72, 0.00287144/step, 2.82438 hours remaining, 205.285156 MB of memory in use. ENERGY: 1459000 688.8970 2090.7968 1950.4143 116.1213 -206030.6700 17636.6948 0.0000 0.0000 34175.5397 -149372.2063 298.4635 -183547.7460 -149275.8912 299.0024 -129.3167 -97.2796 560394.1951 -11.6793 -11.6239 PRESSURE: 1459200 9.21052 41.0274 65.7263 41.0264 81.9531 4.41762 65.7258 4.41989 -177.449 GPRESSURE: 1459200 5.47782 -7.10764 113.881 70.344 94.3042 -56.8667 117.901 -36.9859 -94.2712 PRESSAVG: 1459200 -23.3784 19.9448 -37.1426 19.9447 92.2928 46.5223 -37.1426 46.5223 -54.2121 GPRESSAVG: 1459200 -24.2146 19.3915 -35.4543 20.7566 93.211 45.3618 -38.2825 48.0489 -54.7035 TIMING: 1459200 CPU: 4238.3, 0.00288496/step Wall: 4238.3, 0.00288496/step, 2.83752 hours remaining, 205.285156 MB of memory in use. ENERGY: 1459200 737.9594 2007.0964 1935.7175 114.6387 -206712.2267 17939.7178 0.0000 0.0000 34418.6254 -149558.4716 300.5864 -183977.0970 -149451.5420 299.3065 -28.7616 1.8369 559118.3569 4.9008 4.7643 PRESSURE: 1459400 -364.202 -157.983 -19.1175 -157.983 -346.898 -23.5006 -19.1163 -23.5007 -156.289 GPRESSURE: 1459400 -357.586 -156.161 -26.4501 -178.378 -290.687 -31.0518 -25.9206 -39.6303 -130.463 PRESSAVG: 1459400 -6.85885 4.35237 -38.0878 4.35232 -35.1415 37.4076 -38.0878 37.4076 -0.894725 GPRESSAVG: 1459400 -6.26066 4.27544 -38.2139 5.96887 -35.8954 38.3074 -38.2317 37.3858 -0.248806 TIMING: 1459400 CPU: 4238.87, 0.00287821/step Wall: 4238.87, 0.00287821/step, 2.83072 hours remaining, 205.285156 MB of memory in use. ENERGY: 1459400 764.8402 2101.1469 1971.4148 125.9097 -206390.0608 17636.7800 0.0000 0.0000 34304.0952 -149485.8740 299.5862 -183789.9692 -149383.1605 298.1564 -289.1296 -259.5790 558831.0052 -14.2983 -14.1350 PRESSURE: 1459600 -81.5344 -105.053 49.0841 -105.053 -194.563 -3.64612 49.0837 -3.6457 -66.3493 GPRESSURE: 1459600 -74.4051 -109.748 31.4599 -99.3411 -185.851 -1.61294 97.2146 -30.7038 8.91895 PRESSAVG: 1459600 17.959 -87.0689 19.5324 -87.0689 41.366 -6.75312 19.5323 -6.75315 -72.6257 GPRESSAVG: 1459600 17.0462 -86.1141 19.5617 -89.5611 42.3784 -8.63379 20.6568 -5.53281 -72.7534 TIMING: 1459600 CPU: 4239.45, 0.00286754/step Wall: 4239.45, 0.00286754/step, 2.82007 hours remaining, 205.285156 MB of memory in use. ENERGY: 1459600 742.8394 2117.2093 1976.2766 115.0148 -206351.4393 17791.8994 0.0000 0.0000 34366.9289 -149241.2709 300.1349 -183608.1998 -149143.6155 298.9261 -114.1491 -83.7789 559090.3474 -4.4336 -4.4429 PRESSURE: 1459800 -194.364 128.814 -78.3804 128.814 -163.539 -31.3254 -78.38 -31.3243 -121.305 GPRESSURE: 1459800 -146.168 99.7815 -43.5553 10.1335 -181.383 0.172017 -56.6048 -67.1004 -58.7426 PRESSAVG: 1459800 4.65091 -44.1847 0.352008 -44.1846 -1.92759 5.27098 0.351936 5.27109 -46.6472 GPRESSAVG: 1459800 3.62321 -43.5797 0.269165 -42.521 -1.4389 6.93179 -0.76211 3.67963 -45.7402 TIMING: 1459800 CPU: 4240.03, 0.00290359/step Wall: 4240.03, 0.00290359/step, 2.85535 hours remaining, 205.285156 MB of memory in use. ENERGY: 1459800 733.9719 2149.5958 1971.8613 116.4702 -206367.4639 17726.8514 0.0000 0.0000 34252.8900 -149415.8234 299.1390 -183668.7134 -149322.4578 298.9815 -159.7359 -128.7645 558132.1469 -14.6413 -14.5186 PRESSURE: 1460000 72.2365 -39.3312 -182.018 -39.3316 308.626 6.15412 -182.018 6.15284 118.665 GPRESSURE: 1460000 106.17 -56.7898 -58.8526 -30.4157 317.894 60.2887 -220.035 -1.21768 163.665 PRESSAVG: 1460000 -18.3098 -11.3273 -37.3524 -11.3273 -8.86196 -6.18998 -37.3525 -6.18994 61.6928 GPRESSAVG: 1460000 -16.8382 -11.1308 -36.9672 -13.4492 -9.00016 -5.36005 -38.2702 -6.90508 60.0669 TIMING: 1460000 CPU: 4240.61, 0.00290712/step Wall: 4240.61, 0.00290712/step, 2.85867 hours remaining, 205.285156 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: 1460000 740.4043 2071.9671 1975.9079 109.2509 -206517.5087 18186.2647 0.0000 0.0000 34105.7364 -149327.9774 297.8539 -183433.7138 -149236.4133 298.5723 166.5089 195.9096 557139.5632 11.5070 11.4095 PRESSURE: 1460200 47.2583 3.39512 2.47042 3.39496 -51.827 -127.256 2.46966 -127.258 45.935 GPRESSURE: 1460200 129.42 -23.9283 1.88 -64.0522 -9.02971 -92.7253 -14.4976 -117.875 26.2631 PRESSAVG: 1460200 1.81883 -7.80628 -59.3016 -7.80632 -15.7586 26.6033 -59.3017 26.6033 -37.8096 GPRESSAVG: 1460200 2.60203 -8.1339 -59.3598 -5.47692 -16.8643 24.2876 -58.7836 29.1522 -37.3255 TIMING: 1460200 CPU: 4241.18, 0.00286908/step Wall: 4241.18, 0.00286908/step, 2.8211 hours remaining, 205.285156 MB of memory in use. ENERGY: 1460200 762.7410 2074.9137 1926.7149 112.3457 -206108.3789 17771.3208 0.0000 0.0000 34266.7577 -149193.5852 299.2601 -183460.3429 -149102.2580 298.5826 13.7888 48.8843 557175.3017 -17.2498 -17.1959 LDB: ============= START OF LOAD BALANCING ============== 4244.64 LDB: ============== END OF LOAD BALANCING =============== 4244.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4244.65 LDB: ============= START OF LOAD BALANCING ============== 4244.94 LDB: Largest compute 4821 load 0.028829 is 24.5% of average load 0.117664 LDB: Average compute 0.001731 is 1.5% of average load 0.117664 LDB: TIME 4244.94 LOAD: AVG 0.117664 MAX 0.178722 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.398 MB LDB: TIME 4244.94 LOAD: AVG 0.117664 MAX 0.178722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.531 MB LDB: TIME 4244.94 LOAD: AVG 0.117664 MAX 0.178722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4244.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4244.95 PRESSURE: 1460400 43.1001 113.745 100.889 113.744 107.723 92.8738 100.89 92.8741 -80.9667 GPRESSURE: 1460400 143.062 94.3689 92.9305 72.0192 127.07 35.5822 63.3992 89.2091 -104.849 PRESSAVG: 1460400 50.2939 -19.3814 11.7443 -19.3813 -30.8796 45.8671 11.7442 45.8672 29.4824 GPRESSAVG: 1460400 48.6846 -19.3179 9.79484 -19.6858 -29.0201 45.8776 11.57 45.3565 29.3648 TIMING: 1460400 CPU: 4241.77, 0.00294107/step Wall: 4241.77, 0.00294107/step, 2.89173 hours remaining, 204.570312 MB of memory in use. ENERGY: 1460400 759.4477 2062.9808 1980.5772 121.6950 -206173.3887 17930.5836 0.0000 0.0000 34264.1365 -149053.9678 299.2372 -183318.1043 -148957.2345 299.9273 23.2856 55.0942 557483.3607 16.2989 16.3431 PRESSURE: 1460600 -39.6941 -96.0753 -66.988 -96.074 -32.2053 -198.606 -66.9889 -198.607 -9.97116 GPRESSURE: 1460600 7.53722 -138.104 -117.68 -67.9888 -1.45948 -197.006 -53.4438 -167.5 9.16447 PRESSAVG: 1460600 -0.310293 -43.3915 32.538 -43.3915 -0.338679 -46 32.5379 -46 -19.4788 GPRESSAVG: 1460600 0.481838 -42.916 33.9387 -43.5656 -1.76071 -47.3841 33.4764 -46.9653 -18.7285 TIMING: 1460600 CPU: 4242.35, 0.00288487/step Wall: 4242.35, 0.00288487/step, 2.83631 hours remaining, 204.898438 MB of memory in use. ENERGY: 1460600 733.7504 2102.2957 1979.8388 114.8400 -206047.6665 17839.4331 0.0000 0.0000 34204.9447 -149072.5638 298.7203 -183277.5085 -148973.8809 299.9361 -27.2902 5.0807 557033.4739 -6.7092 -6.6691 PRESSURE: 1460800 -13.5764 285.476 -145.729 285.475 -253.114 -32.6556 -145.73 -32.6553 210.77 GPRESSURE: 1460800 -5.47563 300.525 -132.516 190.535 -164.007 0.391672 -99.1922 17.6003 215.799 PRESSAVG: 1460800 -34.9519 -53.5508 25.8025 -53.5506 -10.7414 12.923 25.8026 12.923 17.4678 GPRESSAVG: 1460800 -34.3506 -53.6716 23.9765 -55.6846 -10.2185 16.8687 24.6582 11.6455 16.354 TIMING: 1460800 CPU: 4242.93, 0.00289367/step Wall: 4242.93, 0.00289367/step, 2.8448 hours remaining, 204.898438 MB of memory in use. ENERGY: 1460800 725.5307 2073.5118 1979.0761 115.6758 -206614.9670 18005.9743 0.0000 0.0000 34618.6526 -149096.5458 302.3333 -183715.1984 -149003.7542 299.0001 -18.6404 15.4389 558329.4907 -9.4085 -9.4050 PRESSURE: 1461000 32.4721 -158.378 93.97 -158.378 -140.57 52.2707 93.9711 52.2714 -355.027 GPRESSURE: 1461000 63.4853 -148.754 228.337 -195.63 -65.1919 88.0176 27.9914 58.5458 -369.314 PRESSAVG: 1461000 10.7325 19.1985 -23.3714 19.1986 -1.4329 17.66 -23.3715 17.6601 -10.1164 GPRESSAVG: 1461000 10.0505 18.7704 -22.287 18.9737 -0.967625 16.2869 -24.1224 19.3136 -9.96239 TIMING: 1461000 CPU: 4243.5, 0.00289712/step Wall: 4243.5, 0.00289712/step, 2.84803 hours remaining, 204.898438 MB of memory in use. ENERGY: 1461000 748.2770 2113.0996 1929.7480 119.8926 -206001.4800 17686.1288 0.0000 0.0000 34324.2183 -149080.1156 299.7619 -183404.3339 -148982.7397 299.5648 -154.3750 -123.6735 558644.2258 -0.2723 -0.2932 PRESSURE: 1461200 -227.785 -24.2809 -71.4132 -24.2803 -39.6347 23.2838 -71.4143 23.2846 -179.077 GPRESSURE: 1461200 -231.119 -100.504 -71.917 0.49918 1.14297 -44.9225 -51.0566 10.8037 -114.402 PRESSAVG: 1461200 -33.7367 -1.15151 4.15487 -1.15154 -9.76433 -1.64278 4.15487 -1.64272 22.1846 GPRESSAVG: 1461200 -34.2223 -1.48118 1.06923 -0.405974 -8.43463 -1.72233 7.19132 -1.87896 20.9034 TIMING: 1461200 CPU: 4244.08, 0.00288395/step Wall: 4244.08, 0.00288395/step, 2.83492 hours remaining, 204.898438 MB of memory in use. ENERGY: 1461200 734.0334 2117.7040 1967.0600 107.9929 -205734.4905 17431.7892 0.0000 0.0000 34201.9036 -149174.0073 298.6937 -183375.9110 -149084.0549 299.5237 -148.8320 -114.7928 555660.8514 -7.1055 -7.2512 PRESSURE: 1461400 -249.093 -89.401 76.8876 -89.4005 143.621 162.971 76.888 162.972 18.5029 GPRESSURE: 1461400 -169.711 -90.307 137.364 -105.093 99.279 175.079 88.1333 184.363 81.1948 PRESSAVG: 1461400 -11.0813 -8.97154 14.7608 -8.97156 100.573 19.8626 14.7607 19.8626 -87.6264 GPRESSAVG: 1461400 -9.59708 -8.01462 17.6181 -9.31161 98.5596 19.9922 12.8147 19.9487 -87.1343 TIMING: 1461400 CPU: 4244.66, 0.00289344/step Wall: 4244.66, 0.00289344/step, 2.84409 hours remaining, 204.898438 MB of memory in use. ENERGY: 1461400 726.6493 2110.7912 1963.6775 111.8769 -205946.9719 17608.0647 0.0000 0.0000 34284.3872 -149141.5251 299.4141 -183425.9122 -149044.2051 299.6418 -28.9896 3.5876 556157.3047 0.6217 0.6094 PRESSURE: 1461600 23.6757 -10.2947 74.5887 -10.2945 4.14323 91.0021 74.5878 91.0012 148.925 GPRESSURE: 1461600 162.533 36.4021 76.3895 22.4754 -19.2201 122.773 50.6509 -19.2752 140.784 PRESSAVG: 1461600 -3.57585 -42.9027 21.2269 -42.9027 20.0503 37.791 21.2269 37.7909 -22.4803 GPRESSAVG: 1461600 -4.90774 -43.0608 22.2605 -42.1444 19.8518 37.2339 20.9536 37.1034 -22.2303 TIMING: 1461600 CPU: 4245.24, 0.0028854/step Wall: 4245.24, 0.0028854/step, 2.83603 hours remaining, 204.898438 MB of memory in use. ENERGY: 1461600 690.3015 2047.3260 1970.8304 115.2126 -206114.7185 17840.5688 0.0000 0.0000 34269.9786 -149180.5005 299.2882 -183450.4791 -149093.2002 299.6257 58.9145 94.6990 555822.1713 -2.0019 -2.4287 PRESSURE: 1461800 48.9302 136.861 -75.3945 136.861 -68.9311 -139.058 -75.3947 -139.058 30.2101 GPRESSURE: 1461800 57.9954 55.4047 -86.4145 186.478 -35.7966 -118.881 -151.318 -75.4298 74.2851 PRESSAVG: 1461800 -10.8549 14.8213 -12.4623 14.8212 5.1663 6.81324 -12.4624 6.81322 -8.61645 GPRESSAVG: 1461800 -11 13.9713 -15.3027 14.43 5.10647 8.01458 -11.7121 6.43028 -8.60644 TIMING: 1461800 CPU: 4245.81, 0.00288608/step Wall: 4245.81, 0.00288608/step, 2.83653 hours remaining, 204.898438 MB of memory in use. ENERGY: 1461800 727.9467 2144.9680 1963.0361 113.1208 -206281.1646 17781.0972 0.0000 0.0000 34373.7116 -149177.2842 300.1942 -183550.9958 -149083.6495 299.2676 3.4030 32.1613 557531.1911 -4.7683 -4.8333 PRESSURE: 1462000 -56.1955 -37.4039 -24.6288 -37.4032 -5.27509 153.619 -24.63 153.619 129.626 GPRESSURE: 1462000 -13.5719 -112.684 -100.389 33.4553 30.5681 159.356 -17.6327 190.269 141.59 PRESSAVG: 1462000 -42.2203 23.8238 -62.2034 23.8238 1.88451 -14.5766 -62.2033 -14.5768 11.8211 GPRESSAVG: 1462000 -41.8386 23.9997 -60.339 23.5839 1.70081 -13.9947 -61.3837 -14.3382 12.047 TIMING: 1462000 CPU: 4246.39, 0.00287344/step Wall: 4246.39, 0.00287344/step, 2.82396 hours remaining, 204.898438 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: 1462000 787.2170 2112.8933 1972.2254 115.5332 -206269.6352 17725.9813 0.0000 0.0000 34352.6942 -149203.0907 300.0106 -183555.7849 -149115.0866 299.4221 22.7183 52.8619 555614.6001 -9.5049 -9.3636 PRESSURE: 1462200 -190.625 -27.9531 -9.25103 -27.9524 -87.896 64.7891 -9.25028 64.7893 -117.231 GPRESSURE: 1462200 -99.1608 -6.65397 12.6409 3.15808 -107.697 31.0662 -45.1335 60.6005 -97.9586 PRESSAVG: 1462200 -55.78 55.1332 -22.6392 55.1332 41.1689 -23.6133 -22.6392 -23.6133 29.485 GPRESSAVG: 1462200 -56.1549 55.6709 -24.1256 54.007 41.6936 -25.7021 -24.5886 -24.2953 29.082 TIMING: 1462200 CPU: 4246.97, 0.00292689/step Wall: 4246.97, 0.00292689/step, 2.87632 hours remaining, 204.898438 MB of memory in use. ENERGY: 1462200 713.4680 2037.3028 1960.2371 122.4574 -205689.6979 17434.1573 0.0000 0.0000 34105.9619 -149316.1135 297.8558 -183422.0753 -149218.7650 299.4546 -131.9174 -101.6056 557216.3442 4.9580 4.8735 PRESSURE: 1462400 -130.052 65.4133 -44.1419 65.414 -298.975 234.044 -44.1413 234.044 -169.228 GPRESSURE: 1462400 -82.3938 124.628 -87.7844 -25.3618 -255.968 233.732 116.438 243.388 -171.572 PRESSAVG: 1462400 3.45441 24.5051 -20.775 24.5051 -17.7215 9.02468 -20.775 9.02478 12.5745 GPRESSAVG: 1462400 3.40845 22.7425 -19.9638 26.9564 -18.056 9.09045 -18.6901 11.7323 13.256 TIMING: 1462400 CPU: 4247.55, 0.00289642/step Wall: 4247.55, 0.00289642/step, 2.84622 hours remaining, 204.898438 MB of memory in use. ENERGY: 1462400 726.0972 2069.8703 1950.6886 101.1717 -206048.8620 17446.6236 0.0000 0.0000 34286.6015 -149467.8090 299.4334 -183754.4105 -149370.7319 298.4410 -199.4186 -169.9779 556444.9662 -0.5642 -0.4639 PRESSURE: 1462600 100.961 129.543 -86.2267 129.543 -240.907 -52.5931 -86.2277 -52.5938 -55.1717 GPRESSURE: 1462600 108.367 132.882 -123.115 161.426 -179.722 46.1085 -28.5577 -51.9849 -18.4829 PRESSAVG: 1462600 -26.2309 83.3509 16.6272 83.3509 -67.0178 0.848838 16.6272 0.848709 100.712 GPRESSAVG: 1462600 -25.0607 85.3207 19.5635 83.2779 -66.7424 2.1216 13.4657 0.488331 99.5355 TIMING: 1462600 CPU: 4248.13, 0.00289487/step Wall: 4248.13, 0.00289487/step, 2.84453 hours remaining, 204.898438 MB of memory in use. ENERGY: 1462600 765.7331 2108.9244 1964.3299 112.5891 -206473.7528 17825.2561 0.0000 0.0000 34115.7477 -149581.1725 297.9413 -183696.9203 -149482.8639 298.1196 -65.0390 -29.9459 555569.7927 2.4879 2.5775 PRESSURE: 1462800 127.261 -138.809 46.122 -138.809 0.0863657 -7.26155 46.1223 -7.26158 -142.04 GPRESSURE: 1462800 175.429 -159.545 135.393 -120.041 -10.2901 -80.8359 15.0795 15.1845 -78.2348 PRESSAVG: 1462800 -5.27202 21.2092 17.0472 21.2091 -21.3858 33.0001 17.0472 33 41.7156 GPRESSAVG: 1462800 -4.40239 20.2826 15.378 20.9698 -23.5228 34.0942 19.9662 30.5027 43.198 TIMING: 1462800 CPU: 4248.71, 0.00288748/step Wall: 4248.71, 0.00288748/step, 2.83711 hours remaining, 204.898438 MB of memory in use. ENERGY: 1462800 721.0158 2126.3555 1949.5504 118.9733 -206441.0084 17691.0802 0.0000 0.0000 34193.0688 -149640.9643 298.6166 -183834.0331 -149545.3600 297.8521 -4.8976 28.9680 556150.1744 5.0193 5.0909 PRESSURE: 1463000 234.541 -123.875 -153.9 -123.876 167.466 -20.1022 -153.9 -20.1038 29.4887 GPRESSURE: 1463000 260.977 -91.5938 -148.082 -160.36 193.195 96.2652 -187.846 -84.1089 68.4223 PRESSAVG: 1463000 -19.0637 -16.0125 37.9299 -16.0124 32.4497 6.49099 37.93 6.49105 -15.1243 GPRESSAVG: 1463000 -19.7169 -15.6077 39.1793 -14.4261 33.2383 4.34606 37.2208 9.19448 -15.4112 TIMING: 1463000 CPU: 4249.29, 0.00287786/step Wall: 4249.29, 0.00287786/step, 2.8275 hours remaining, 204.898438 MB of memory in use. ENERGY: 1463000 748.6357 2098.1733 1973.4319 117.1027 -206506.0203 17764.4145 0.0000 0.0000 34187.8629 -149616.3994 298.5711 -183804.2623 -149523.3360 298.7909 143.8322 174.1981 554701.0940 -0.5794 -0.6299 PRESSURE: 1463200 -103.185 -73.4431 84.4921 -73.442 -121.719 103.226 84.4919 103.228 29.0016 GPRESSURE: 1463200 -40.2291 -1.89187 139.325 -68.461 -71.8128 52.1932 11.9695 109.989 10.5032 PRESSAVG: 1463200 8.00172 4.23663 23.759 4.23654 62.8681 5.35636 23.759 5.35633 -38.3146 GPRESSAVG: 1463200 7.41831 2.72688 21.5635 3.54642 63.2517 6.13915 24.8764 3.86905 -38.2427 TIMING: 1463200 CPU: 4249.86, 0.00288993/step Wall: 4249.86, 0.00288993/step, 2.8392 hours remaining, 204.898438 MB of memory in use. ENERGY: 1463200 712.4784 2170.9217 1944.6536 109.8686 -205961.2247 17520.3631 0.0000 0.0000 34090.2605 -149412.6789 297.7187 -183502.9394 -149312.2881 298.3250 -65.3005 -33.8462 555937.9345 10.8518 10.8091 PRESSURE: 1463400 117.45 -37.0148 -98.4632 -37.0139 -178.531 12.5778 -98.4627 12.5772 -0.863517 GPRESSURE: 1463400 111.454 12.2212 -48.0132 -20.3025 -94.0199 85.3097 -67.9498 -49.5762 14.0081 PRESSAVG: 1463400 -26.4463 22.645 58.6648 22.645 60.1748 2.57777 58.6648 2.57764 -37.0579 GPRESSAVG: 1463400 -26.0234 23.2937 61.0678 22.496 59.746 2.75754 57.3908 3.08266 -37.1311 TIMING: 1463400 CPU: 4250.44, 0.00287784/step Wall: 4250.44, 0.00287784/step, 2.82716 hours remaining, 204.898438 MB of memory in use. ENERGY: 1463400 752.6706 2059.4567 1957.4264 111.8207 -206271.9890 17712.8092 0.0000 0.0000 34204.7674 -149473.0379 298.7187 -183677.8054 -149371.9743 298.8049 -20.6482 10.4807 556665.3222 -1.1098 -1.1362 PRESSURE: 1463600 -110.241 -3.31098 17.8602 -3.31168 85.4391 86.3922 17.8598 86.3917 140.752 GPRESSURE: 1463600 -37.5917 6.81664 52.0429 23.0531 67.7461 134.272 -57.7614 106.414 180.802 PRESSAVG: 1463600 -11.9235 9.22599 -26.7086 9.22599 36.1185 27.796 -26.7087 27.796 -8.53859 GPRESSAVG: 1463600 -12.9004 10.2779 -28.1081 8.85872 37.5404 26.7736 -27.456 27.6737 -8.62597 TIMING: 1463600 CPU: 4251.02, 0.00290096/step Wall: 4251.02, 0.00290096/step, 2.84971 hours remaining, 204.921875 MB of memory in use. ENERGY: 1463600 772.5437 2095.6797 1925.5182 115.8233 -206442.4409 17956.7205 0.0000 0.0000 34303.4991 -149272.6564 299.5810 -183576.1555 -149173.5776 299.6733 38.6500 70.3187 556841.1013 5.2188 5.3380 PRESSURE: 1463800 -42.0611 -55.681 -196.546 -55.6827 147.538 43.6801 -196.546 43.6821 41.6266 GPRESSURE: 1463800 -33.6616 -87.2863 -128.493 -9.67112 210.671 120.351 -221.531 10.5415 69.7117 PRESSAVG: 1463800 -14.7304 15.1203 4.57564 15.1203 22.1658 -11.807 4.57573 -11.8069 19.5236 GPRESSAVG: 1463800 -14.3912 16.6147 3.52963 13.2427 21.2709 -9.38752 4.69986 -13.0577 20.2371 TIMING: 1463800 CPU: 4251.6, 0.00288439/step Wall: 4251.6, 0.00288439/step, 2.83327 hours remaining, 204.921875 MB of memory in use. ENERGY: 1463800 754.0841 2048.5120 1977.1488 128.3912 -206231.1317 17900.5058 0.0000 0.0000 34200.8974 -149221.5924 298.6849 -183422.4899 -149120.7328 299.4668 49.0344 82.2403 556574.9456 8.9863 9.0389 PRESSURE: 1464000 275.398 171.96 -99.6726 171.96 134.278 124.613 -99.6728 124.613 81.0315 GPRESSURE: 1464000 342.065 127.667 -78.0647 89.332 200.787 100.504 -145.762 95.8942 36.2386 PRESSAVG: 1464000 4.29406 37.2673 -60.3519 37.2672 49.8167 17.9585 -60.3519 17.9585 -25.4968 GPRESSAVG: 1464000 5.43191 36.0883 -59.8574 38.5881 48.7465 15.6457 -60.237 21.2339 -26.0616 TIMING: 1464000 CPU: 4252.17, 0.00287637/step Wall: 4252.17, 0.00287637/step, 2.82523 hours remaining, 204.921875 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: 1464000 700.3873 2058.3520 1959.9304 126.1875 -206263.1342 17984.6190 0.0000 0.0000 34262.9759 -149170.6821 299.2271 -183433.6580 -149074.6363 299.4095 163.5691 193.0303 557365.7282 9.5380 9.3723 PRESSURE: 1464200 -190.511 46.4128 188.561 46.4117 93.9463 -58.9132 188.561 -58.9128 -134.806 GPRESSURE: 1464200 -229.77 70.7926 168.992 48.3968 152.921 -108.955 169.836 10.3715 -62.2196 PRESSAVG: 1464200 -10.4852 -1.06199 34.1735 -1.06196 70.2444 29.3402 34.1734 29.3402 -74.5509 GPRESSAVG: 1464200 -11.9345 -3.45424 36.2181 1.38712 71.3325 31.5781 32.461 29.0836 -74.1648 TIMING: 1464200 CPU: 4252.75, 0.0028899/step Wall: 4252.75, 0.0028899/step, 2.83837 hours remaining, 204.921875 MB of memory in use. ENERGY: 1464200 762.0874 2104.3516 1945.5236 120.7939 -206474.7908 17971.0738 0.0000 0.0000 34223.5741 -149347.3864 298.8830 -183570.9605 -149255.8671 298.8935 -77.1238 -46.3560 557380.2063 -4.9306 -4.9223 LDB: ============= START OF LOAD BALANCING ============== 4256.21 LDB: ============== END OF LOAD BALANCING =============== 4256.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4256.22 LDB: ============= START OF LOAD BALANCING ============== 4256.5 LDB: Largest compute 4821 load 0.029418 is 25.0% of average load 0.117667 LDB: Average compute 0.001738 is 1.5% of average load 0.117667 LDB: TIME 4256.51 LOAD: AVG 0.117667 MAX 0.176764 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.828 MB LDB: TIME 4256.51 LOAD: AVG 0.117667 MAX 0.176764 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: TIME 4256.51 LOAD: AVG 0.117667 MAX 0.176764 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.828 MB LDB: ============== END OF LOAD BALANCING =============== 4256.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4256.51 PRESSURE: 1464400 -138.077 -98.9038 187.152 -98.9042 -67.6439 48.9938 187.152 48.9944 -50.5536 GPRESSURE: 1464400 -133.569 -95.1709 245.84 -98.6566 -37.6773 28.1376 214.251 52.9169 18.2133 PRESSAVG: 1464400 10.1102 -3.37193 -20.6437 -3.37189 18.3461 11.0283 -20.6437 11.0284 -23.2448 GPRESSAVG: 1464400 10.9473 -2.80847 -21.2535 -5.6178 18.1797 9.08428 -20.6837 10.9067 -23.9327 TIMING: 1464400 CPU: 4253.34, 0.00294133/step Wall: 4253.34, 0.00294133/step, 2.88872 hours remaining, 205.121094 MB of memory in use. ENERGY: 1464400 728.1766 2065.9091 1992.2215 114.5558 -206117.0793 17711.0154 0.0000 0.0000 34144.6554 -149360.5456 298.1938 -183505.2010 -149265.7014 298.1396 -85.4247 -51.0111 557552.9735 1.7371 1.7314 PRESSURE: 1464600 -58.4192 -4.65929 138.413 -4.65874 -79.0275 -127.231 138.414 -127.233 319.981 GPRESSURE: 1464600 -18.5473 19.375 150.808 -26.0829 -23.589 -167.831 124.139 -142.196 320.356 PRESSAVG: 1464600 39.7453 -34.179 5.49799 -34.179 -6.39814 1.59967 5.49796 1.59967 -6.39251 GPRESSAVG: 1464600 39.9544 -33.4491 4.76265 -33.3108 -6.42495 3.41212 6.22453 0.183981 -6.44503 TIMING: 1464600 CPU: 4253.92, 0.00289928/step Wall: 4253.92, 0.00289928/step, 2.84725 hours remaining, 205.582031 MB of memory in use. ENERGY: 1464600 715.4485 2083.1639 1965.8320 110.1508 -206426.6096 17899.8816 0.0000 0.0000 34241.2154 -149410.9174 299.0371 -183652.1328 -149314.2144 298.5300 60.8449 92.7399 557685.6965 8.9849 9.0281 PRESSURE: 1464800 210.155 -37.3312 -13.2505 -37.3308 149.576 -70.2406 -13.2507 -70.2413 -30.7063 GPRESSURE: 1464800 217.287 -103.44 -114.905 -14.6158 173.41 -86.1959 -6.23042 -68.5039 32.2032 PRESSAVG: 1464800 53.6563 -51.1554 4.69204 -51.1554 -12.8357 8.69273 4.69198 8.69281 -14.3995 GPRESSAVG: 1464800 54.4516 -51.591 5.496 -50.6082 -12.6081 4.46025 4.15641 10.1836 -15.1003 TIMING: 1464800 CPU: 4254.5, 0.00290127/step Wall: 4254.5, 0.00290127/step, 2.84904 hours remaining, 205.582031 MB of memory in use. ENERGY: 1464800 712.4335 2085.7589 1954.6512 117.1175 -206410.2643 17974.4018 0.0000 0.0000 34180.3277 -149385.5737 298.5053 -183565.9014 -149285.5011 298.2702 109.6747 140.9667 556339.9357 8.8070 8.9144 PRESSURE: 1465000 107.261 52.7214 5.47838 52.7199 111.257 -60.8742 5.47842 -60.8715 17.3426 GPRESSURE: 1465000 138.183 92.0483 20.367 -40.5713 182.724 -51.1174 -24.7227 -112.09 4.14439 PRESSAVG: 1465000 32.621 -26.5472 -11.9506 -26.5473 -40.1892 -67.2848 -11.9505 -67.2847 15.1388 GPRESSAVG: 1465000 30.559 -27.0167 -14.0105 -25.5321 -38.9874 -64.32 -9.80636 -68.3841 15.7939 TIMING: 1465000 CPU: 4255.08, 0.00288443/step Wall: 4255.08, 0.00288443/step, 2.83235 hours remaining, 205.640625 MB of memory in use. ENERGY: 1465000 735.2288 2146.8379 1976.5658 120.1673 -206386.8361 17907.7990 0.0000 0.0000 34180.4099 -149319.8274 298.5060 -183500.2373 -149224.2476 298.9215 78.6202 108.3503 556446.1728 2.5235 2.4552 PRESSURE: 1465200 -24.9193 -31.6187 38.385 -31.6172 -126.248 183.422 38.3845 183.421 -106.988 GPRESSURE: 1465200 -66.9416 -129.477 10.7981 17.5027 -77.8497 139.413 54.5353 138.626 -22.397 PRESSAVG: 1465200 -33.2788 -73.3323 22.3603 -73.3323 -39.1713 -36.1981 22.3602 -36.1981 79.4222 GPRESSAVG: 1465200 -33.1519 -72.1205 24.0686 -74.5577 -38.6788 -36.0117 21.6672 -37.7994 79.0459 TIMING: 1465200 CPU: 4255.65, 0.0028897/step Wall: 4255.65, 0.0028897/step, 2.83736 hours remaining, 205.640625 MB of memory in use. ENERGY: 1465200 724.0620 2105.4110 1967.0213 119.0105 -205947.2980 17682.3930 0.0000 0.0000 34177.0787 -149172.3214 298.4769 -183349.4002 -149064.4402 299.7838 -86.0515 -55.7295 557729.2100 2.3240 2.4051 PRESSURE: 1465400 -261.071 -186.991 -92.2274 -186.991 219.176 63.7378 -92.227 63.737 70.3253 GPRESSURE: 1465400 -177.324 -145.702 -44.9933 -220.529 223.834 42.6364 -188.713 -25.9763 76.5165 PRESSAVG: 1465400 -25.8388 -76.1697 15.9171 -76.1696 10.1717 -14.9141 15.917 -14.9142 40.1902 GPRESSAVG: 1465400 -24.8651 -76.4871 15.391 -75.9563 9.17504 -16.4738 14.4029 -13.705 40.1973 TIMING: 1465400 CPU: 4256.23, 0.00288806/step Wall: 4256.23, 0.00288806/step, 2.83559 hours remaining, 205.640625 MB of memory in use. ENERGY: 1465400 747.4275 2080.5484 1995.9888 115.7165 -206222.8432 17717.3898 0.0000 0.0000 34307.5404 -149258.2317 299.6163 -183565.7721 -149165.5599 298.9036 9.4767 41.0089 555576.3345 8.1744 8.1691 PRESSURE: 1465600 334.995 30.0754 -43.8665 30.0741 150.698 41.27 -43.8663 41.2701 53.0782 GPRESSURE: 1465600 361.031 71.7393 -104.439 -56.004 180.014 77.2941 -69.2691 5.91638 87.3321 PRESSAVG: 1465600 -50.3655 -30.4545 -31.7253 -30.4543 21.6974 18.6868 -31.7252 18.6868 60.004 GPRESSAVG: 1465600 -50.3231 -29.0284 -32.703 -29.7829 21.3301 20.763 -29.2163 17.515 60.5213 TIMING: 1465600 CPU: 4256.8, 0.00286174/step Wall: 4256.8, 0.00286174/step, 2.80959 hours remaining, 205.648438 MB of memory in use. ENERGY: 1465600 728.5164 2085.2839 1953.2176 109.6581 -206311.8807 18130.9602 0.0000 0.0000 34329.6478 -148974.5967 299.8094 -183304.2445 -148872.1082 299.0349 179.5902 209.4589 556953.7120 10.4453 10.5094 PRESSURE: 1465800 -291.489 42.4456 44.0453 42.4459 -364.231 -12.7277 44.0452 -12.7278 -60.9073 GPRESSURE: 1465800 -182.051 67.7982 157.829 73.7693 -357.816 -118.114 -47.5693 6.29996 -69.7973 PRESSAVG: 1465800 -71.604 -64.0175 -14.3302 -64.0174 67.3792 -14.9787 -14.3302 -14.9787 48.3136 GPRESSAVG: 1465800 -70.4011 -64.9725 -13.5231 -64.4202 68.3604 -17.1407 -15.3208 -12.5301 46.6582 TIMING: 1465800 CPU: 4257.38, 0.0028727/step Wall: 4257.38, 0.0028727/step, 2.82019 hours remaining, 205.648438 MB of memory in use. ENERGY: 1465800 754.2945 2041.3393 1959.5319 112.1866 -205466.8303 17448.9503 0.0000 0.0000 34342.3470 -148808.1807 299.9203 -183150.5277 -148712.8081 300.7405 -238.8758 -203.2217 557801.1079 14.6963 14.8725 PRESSURE: 1466000 241.643 -235.247 -13.1658 -235.246 89.1175 -151.499 -13.1654 -151.498 94.5057 GPRESSURE: 1466000 262.79 -276.41 80.95 -153.37 141.426 -161.346 -59.569 -171.527 119.787 PRESSAVG: 1466000 10.2841 1.55705 -11.2257 1.55705 27.8916 -53.9216 -11.2257 -53.9216 -55.2672 GPRESSAVG: 1466000 10.1812 1.57866 -13.7658 3.43637 27.8091 -52.3179 -11.4581 -54.2628 -53.7486 TIMING: 1466000 CPU: 4257.95, 0.00287627/step Wall: 4257.95, 0.00287627/step, 2.82354 hours remaining, 205.648438 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: 1466000 722.8681 2092.4487 1975.9623 121.9166 -206058.5560 17763.6426 0.0000 0.0000 34423.7601 -148957.9576 300.6313 -183381.7177 -148863.2352 300.3424 141.7553 174.6677 555983.8995 -5.6972 -5.2527 PRESSURE: 1466200 -11.3476 -35.3573 31.8635 -35.3571 -70.0435 -9.19566 31.864 -9.19586 15.0765 GPRESSURE: 1466200 40.6211 -6.98767 13.249 -81.925 -124.096 130.122 51.3855 -57.7759 104.138 PRESSAVG: 1466200 -11.6797 -26.0466 -40.1558 -26.0465 44.1857 31.7184 -40.1558 31.7185 -26.6558 GPRESSAVG: 1466200 -12.3102 -25.6076 -37.7736 -27.5879 43.694 31.8705 -41.5238 30.6829 -26.2598 TIMING: 1466200 CPU: 4258.53, 0.00288878/step Wall: 4258.53, 0.00288878/step, 2.83566 hours remaining, 205.648438 MB of memory in use. ENERGY: 1466200 750.7770 2100.3707 1951.0212 112.9726 -206111.2240 17718.9396 0.0000 0.0000 34437.7413 -149039.4015 300.7534 -183477.1427 -148940.7093 299.8496 -22.1049 6.8877 557144.6813 1.9501 1.7080 PRESSURE: 1466400 182.9 36.0912 83.1693 36.0923 -104.982 37.6092 83.1697 37.6086 20.3495 GPRESSURE: 1466400 194.454 52.403 100.235 51.538 -33.6989 4.72737 76.3152 130.527 35.654 PRESSAVG: 1466400 58.0317 -1.39926 7.32094 -1.39926 -14.9152 -29.4404 7.32084 -29.4403 -9.58273 GPRESSAVG: 1466400 57.4525 -2.49032 6.04022 1.13056 -15.5313 -29.302 9.10617 -28.2652 -8.15316 TIMING: 1466400 CPU: 4259.11, 0.00289134/step Wall: 4259.11, 0.00289134/step, 2.83801 hours remaining, 205.648438 MB of memory in use. ENERGY: 1466400 748.8601 2136.4964 1958.0674 118.3533 -206339.8666 17951.6385 0.0000 0.0000 34385.2594 -149041.1916 300.2950 -183426.4510 -148943.3800 299.9938 32.7558 65.4695 557497.5326 11.1779 11.2560 PRESSURE: 1466600 -179.265 -83.3273 0.31155 -83.3255 -288.577 -100.292 0.311847 -100.291 -144.678 GPRESSURE: 1466600 -138.479 -73.4464 -37.8221 -112.076 -247.822 -164.008 36.2889 -210.126 -131.454 PRESSAVG: 1466600 9.8559 -12.0075 -5.76813 -12.0076 -57.7734 -9.50209 -5.76812 -9.50215 29.3361 GPRESSAVG: 1466600 11.0253 -11.508 -4.77974 -14.6991 -56.5627 -9.68938 -4.73334 -9.85361 27.56 TIMING: 1466600 CPU: 4259.69, 0.0028845/step Wall: 4259.69, 0.0028845/step, 2.83114 hours remaining, 205.648438 MB of memory in use. ENERGY: 1466600 761.2567 2120.9162 1993.0047 119.8095 -205629.4991 17402.3346 0.0000 0.0000 34045.9617 -149186.2157 297.3319 -183232.1775 -149091.7493 299.6378 -204.1734 -172.5851 559036.5213 -6.1938 -5.9924 PRESSURE: 1466800 328.201 105.469 53.3914 105.468 102.769 19.0786 53.3913 19.0805 -342.785 GPRESSURE: 1466800 248.942 91.4567 59.3666 2.92142 151.33 99.6373 84.3013 -24.062 -215.992 PRESSAVG: 1466800 2.87865 1.7005 -29.5187 1.70038 6.17459 1.56776 -29.5188 1.56771 -21.6504 GPRESSAVG: 1466800 1.44092 2.71281 -31.4984 3.61674 5.32568 1.85565 -30.0885 0.695146 -20.1337 TIMING: 1466800 CPU: 4260.26, 0.00288661/step Wall: 4260.26, 0.00288661/step, 2.83305 hours remaining, 205.648438 MB of memory in use. ENERGY: 1466800 743.4916 2093.7720 1953.6230 114.1992 -206092.1882 17740.9053 0.0000 0.0000 34289.7744 -149156.4228 299.4611 -183446.1972 -149055.8271 299.4022 29.3951 61.4265 557506.4492 -4.1990 -4.4557 PRESSURE: 1467000 122.545 113.966 -0.841442 113.967 145.611 19.9567 -0.839261 19.9566 182.569 GPRESSURE: 1467000 148.39 41.1097 -11.0574 124.887 149.146 -26.3313 52.5529 -73.6442 227.304 PRESSAVG: 1467000 29.1763 39.5817 -61.5977 39.5817 69.1255 14.1995 -61.5977 14.1995 -47.9395 GPRESSAVG: 1467000 28.7753 38.5935 -62.5451 38.0972 70.3547 13.3485 -61.3283 14.6361 -48.971 TIMING: 1467000 CPU: 4260.84, 0.00289794/step Wall: 4260.84, 0.00289794/step, 2.844 hours remaining, 205.648438 MB of memory in use. ENERGY: 1467000 729.6771 2101.3812 1951.3050 118.5152 -206373.7910 18057.4157 0.0000 0.0000 34181.9644 -149233.5324 298.5196 -183415.4968 -149131.9341 298.6407 150.2413 174.9467 557674.1640 16.7875 16.7197 PRESSURE: 1467200 -261.786 120.085 63.5553 120.085 294.428 -75.5388 63.5554 -75.538 -113.391 GPRESSURE: 1467200 -238.475 48.1997 27.1507 45.504 352.058 -102.691 67.1052 -43.3793 -101.7 PRESSAVG: 1467200 75.1835 4.60314 32.2275 4.60312 15.5716 -42.8373 32.2275 -42.8373 -60.6731 GPRESSAVG: 1467200 75.5796 3.46534 34.7143 5.35799 15.6594 -44.3248 31.3108 -40.017 -61.1125 TIMING: 1467200 CPU: 4261.42, 0.00287825/step Wall: 4261.42, 0.00287825/step, 2.82453 hours remaining, 205.648438 MB of memory in use. ENERGY: 1467200 780.6035 2062.5274 1984.2584 113.3196 -205930.8372 17652.1752 0.0000 0.0000 34205.5691 -149132.3839 298.7257 -183337.9530 -149033.9281 299.1827 -26.9165 3.9609 556615.8347 10.0273 10.0421 PRESSURE: 1467400 -241.729 -6.03764 158.517 -6.03613 -3.47873 -143.553 158.516 -143.552 -149.775 GPRESSURE: 1467400 -157.698 23.0352 168.413 69.5305 25.8822 -113.81 88.1488 -180.439 -171.647 PRESSAVG: 1467400 17.3688 -22.9477 -10.6548 -22.9476 -34.2825 -45.6499 -10.6549 -45.65 22.6003 GPRESSAVG: 1467400 18.3815 -22.069 -10.8022 -22.6145 -35.5782 -44.5658 -11.269 -47.059 23.3592 TIMING: 1467400 CPU: 4262, 0.00290952/step Wall: 4262, 0.00290952/step, 2.85505 hours remaining, 205.648438 MB of memory in use. ENERGY: 1467400 747.3111 2113.1173 1963.5833 100.7954 -206021.1028 17569.9132 0.0000 0.0000 34512.2144 -149014.1682 301.4038 -183526.3826 -148914.5302 300.0164 -131.6610 -101.1542 557845.6036 1.8955 2.0542 PRESSURE: 1467600 -183.288 5.61916 -143.028 5.61909 -78.9671 -93.6195 -143.027 -93.6188 169.013 GPRESSURE: 1467600 -154.253 78.602 -109.207 -65.7421 -63.5088 -198.499 -209.437 -79.2467 204.139 PRESSAVG: 1467600 34.5222 34.5859 11.8672 34.5861 -23.7134 21.3333 11.8671 21.3332 23.2347 GPRESSAVG: 1467600 34.4356 35.3654 9.89428 33.499 -22.8028 23.8324 15.6704 18.9349 22.254 TIMING: 1467600 CPU: 4262.58, 0.00288296/step Wall: 4262.58, 0.00288296/step, 2.82883 hours remaining, 205.648438 MB of memory in use. ENERGY: 1467600 727.2761 2148.1520 1955.2968 108.1084 -206178.4020 17728.1726 0.0000 0.0000 34376.5023 -149134.8939 300.2185 -183511.3962 -149037.7260 300.0011 -31.0806 -4.5407 558724.6953 11.3478 11.2956 PRESSURE: 1467800 -208.823 34.744 -35.7982 34.7426 6.1367 -117.937 -35.7981 -117.936 -230.593 GPRESSURE: 1467800 -98.7745 73.292 -113.126 68.8391 -21.5065 -145.462 1.98144 -156.304 -221.239 PRESSAVG: 1467800 -51.9869 -36.0598 -51.4404 -36.0597 53.8041 6.88673 -51.4404 6.88678 -28.1337 GPRESSAVG: 1467800 -52.868 -35.7429 -49.4984 -35.2851 53.8449 4.79428 -53.8093 8.35938 -26.8347 TIMING: 1467800 CPU: 4263.16, 0.00289352/step Wall: 4263.16, 0.00289352/step, 2.83903 hours remaining, 205.648438 MB of memory in use. ENERGY: 1467800 748.0231 2070.3367 2001.6781 107.0401 -205858.1883 17597.3225 0.0000 0.0000 34191.2666 -149142.5212 298.6008 -183333.7877 -149044.2499 298.7757 -144.4266 -113.8401 558375.3304 -8.7722 -8.6193 PRESSURE: 1468000 -180.859 -207.71 -102.85 -207.711 -78.7584 63.998 -102.849 63.9979 -51.8114 GPRESSURE: 1468000 -165.479 -261.999 -208.292 -223.257 -31.5416 61.7251 -27.571 -2.73402 -11.883 PRESSAVG: 1468000 -9.52171 -38.1491 6.76881 -38.1491 37.2307 41.3574 6.76877 41.3574 -15.7465 GPRESSAVG: 1468000 -9.93691 -39.0842 6.86724 -36.9819 37.997 43.5295 5.92379 41.7709 -15.4568 TIMING: 1468000 CPU: 4263.74, 0.00290493/step Wall: 4263.74, 0.00290493/step, 2.85006 hours remaining, 205.648438 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: 1468000 773.3324 2110.3126 1961.7923 120.3647 -206207.1423 17807.7995 0.0000 0.0000 34344.8567 -149088.6841 299.9422 -183433.5408 -148990.5399 299.4352 -103.8097 -69.6345 558109.6494 3.9875 4.2011 PRESSURE: 1468200 -15.3591 36.9858 5.68185 36.9852 -105.117 -97.6246 5.68036 -97.6242 -280.288 GPRESSURE: 1468200 -20.7139 17.1 100.094 47.294 -26.0923 -108.815 -102.177 -93.0932 -257.66 PRESSAVG: 1468200 45.7027 -91.8038 -18.7346 -91.804 -46.711 6.37532 -18.7346 6.37535 -20.7685 GPRESSAVG: 1468200 45.9082 -90.373 -18.4861 -93.1564 -47.6945 4.87994 -18.4234 7.30688 -20.1784 TIMING: 1468200 CPU: 4264.32, 0.00291068/step Wall: 4264.32, 0.00291068/step, 2.85554 hours remaining, 205.648438 MB of memory in use. ENERGY: 1468200 745.6354 2098.3976 1947.1819 102.4644 -206046.5670 17788.3566 0.0000 0.0000 34253.2755 -149111.2558 299.1424 -183364.5313 -149010.8002 299.6909 -133.5878 -101.4887 558560.9012 -7.2589 -7.3215 LDB: ============= START OF LOAD BALANCING ============== 4267.78 LDB: ============== END OF LOAD BALANCING =============== 4267.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4267.79 LDB: ============= START OF LOAD BALANCING ============== 4268.08 LDB: Largest compute 4821 load 0.029141 is 24.8% of average load 0.117565 LDB: Average compute 0.001734 is 1.5% of average load 0.117565 LDB: TIME 4268.08 LOAD: AVG 0.117565 MAX 0.176964 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 4268.08 LOAD: AVG 0.117565 MAX 0.176964 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: TIME 4268.08 LOAD: AVG 0.117565 MAX 0.176964 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: ============== END OF LOAD BALANCING =============== 4268.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4268.09 PRESSURE: 1468400 192.453 -142.127 -66.5572 -142.127 -57.0332 73.3915 -66.5564 73.3913 175.778 GPRESSURE: 1468400 230.119 -127.853 -28.0468 -203.884 -22.8268 37.7655 -83.6145 93.0729 192.609 PRESSAVG: 1468400 66.6742 8.69145 -34.6442 8.69139 -22.6997 -25.2861 -34.6442 -25.2861 -27.7352 GPRESSAVG: 1468400 67.4407 6.65105 -36.1081 9.71782 -21.7719 -25.4884 -33.8895 -24.6959 -29.3756 TIMING: 1468400 CPU: 4264.91, 0.00297495/step Wall: 4264.91, 0.00297495/step, 2.91843 hours remaining, 205.363281 MB of memory in use. ENERGY: 1468400 717.4535 2053.2432 1990.3657 106.6136 -206616.9334 18076.8985 0.0000 0.0000 34492.6839 -149179.6751 301.2332 -183672.3589 -149085.0864 299.3736 103.7326 133.3003 558446.4625 5.4131 5.4311 PRESSURE: 1468600 193.03 51.8276 -30.3218 51.8278 12.1003 30.7522 -30.3231 30.7535 -5.83464 GPRESSURE: 1468600 194.251 59.0833 -46.592 41.5072 53.801 -33.7431 29.4849 40.4689 48.2341 PRESSAVG: 1468600 41.5182 28.3514 -25.7462 28.3513 16.1739 -75.5957 -25.7463 -75.5957 6.21559 GPRESSAVG: 1468600 40.901 30.1413 -26.7749 27.1149 16.0948 -73.9571 -25.1879 -77.8721 6.88849 TIMING: 1468600 CPU: 4265.5, 0.00291458/step Wall: 4265.5, 0.00291458/step, 2.85904 hours remaining, 205.566406 MB of memory in use. ENERGY: 1468600 737.6456 2076.2274 1972.1076 111.2795 -206406.4877 17913.1752 0.0000 0.0000 34352.0990 -149243.9534 300.0054 -183596.0523 -149148.8168 299.1230 66.4319 98.7620 558211.2532 21.3026 21.2948 PRESSURE: 1468800 -266.091 -160.072 112.678 -160.071 -51.3162 -259.522 112.678 -259.521 126.533 GPRESSURE: 1468800 -262.639 -175.038 82.3327 -115.144 9.21479 -300.023 11.3435 -178.363 153.174 PRESSAVG: 1468800 6.70544 4.30576 -0.595411 4.30576 20.3855 6.22809 -0.595423 6.22801 9.41967 GPRESSAVG: 1468800 7.34875 3.07326 2.11058 3.99109 19.3585 3.53151 -1.532 7.73624 9.75036 TIMING: 1468800 CPU: 4266.08, 0.00290869/step Wall: 4266.08, 0.00290869/step, 2.85311 hours remaining, 205.566406 MB of memory in use. ENERGY: 1468800 761.1665 2133.5021 1947.9083 107.1750 -206446.9422 17919.0089 0.0000 0.0000 34408.2659 -149169.9155 300.4959 -183578.1815 -149072.0329 299.7476 -63.6248 -33.4165 557234.7975 12.1702 12.1525 PRESSURE: 1469000 -11.0875 40.5645 -97.862 40.5638 1.40105 -43.7731 -97.8606 -43.7741 -38.9398 GPRESSURE: 1469000 19.4388 -1.91407 -82.9138 49.6881 37.8708 -32.6947 -101.278 -80.6362 -2.25936 PRESSAVG: 1469000 -48.5066 2.15331 29.5316 2.15337 8.16287 -61.6603 29.5316 -61.6603 24.1138 GPRESSAVG: 1469000 -49.3952 1.76895 28.2937 2.77756 9.423 -61.9918 31.8609 -63.5603 23.6144 TIMING: 1469000 CPU: 4266.66, 0.00289701/step Wall: 4266.66, 0.00289701/step, 2.84148 hours remaining, 205.566406 MB of memory in use. ENERGY: 1469000 728.3486 2112.8660 1961.8380 116.0570 -205939.1726 17623.2276 0.0000 0.0000 34292.8829 -149103.9525 299.4883 -183396.8355 -149011.5821 299.6510 -16.2088 18.3501 557598.2126 -5.4100 -5.4526 PRESSURE: 1469200 -511.08 13.291 -98.9853 13.2898 -266.856 -67.1929 -98.9851 -67.1924 -88.3585 GPRESSURE: 1469200 -434.647 59.0674 -77.9366 21.1703 -285.303 -60.9476 -5.78238 -36.7428 -63.484 PRESSAVG: 1469200 -23.9521 -1.33277 -32.0165 -1.33283 10.965 -36.2447 -32.0166 -36.2448 -14.6416 GPRESSAVG: 1469200 -24.6746 0.518031 -31.2468 -1.7078 10.1876 -33.4912 -35.2398 -35.6414 -13.538 TIMING: 1469200 CPU: 4267.24, 0.00291503/step Wall: 4267.24, 0.00291503/step, 2.85899 hours remaining, 205.566406 MB of memory in use. ENERGY: 1469200 772.2792 2123.9624 1937.9901 120.6721 -205991.0070 17547.0477 0.0000 0.0000 34185.3657 -149303.6897 298.5493 -183489.0554 -149207.8870 299.8357 -288.7650 -261.1448 558042.8835 -9.2096 -9.3417 PRESSURE: 1469400 -238.875 16.5853 -73.2344 16.586 -44.4929 207.736 -73.2332 207.736 110.455 GPRESSURE: 1469400 -185.355 -23.5631 -81.3558 41.6936 -36.9395 177.87 -80.7976 293.627 154.372 PRESSAVG: 1469400 -30.4712 -14.5726 3.01792 -14.5726 44.5297 19.4255 3.0179 19.4256 1.7863 GPRESSAVG: 1469400 -29.8877 -16.465 3.87823 -14.8142 46.2466 17.1211 3.63154 21.3977 0.795102 TIMING: 1469400 CPU: 4267.82, 0.00291046/step Wall: 4267.82, 0.00291046/step, 2.85436 hours remaining, 205.566406 MB of memory in use. ENERGY: 1469400 772.9922 2087.9326 1937.7217 112.7177 -205948.8781 17601.0749 0.0000 0.0000 34129.4997 -149306.9393 298.0614 -183436.4390 -149206.3549 298.3788 -57.6374 -22.6408 557227.6826 5.2816 5.7180 PRESSURE: 1469600 -214.582 -102.057 293.633 -102.058 -33.868 -67.3298 293.631 -67.3307 62.9725 GPRESSURE: 1469600 -153.741 -73.1123 329.295 -16.5852 -54.643 -45.8344 203.925 -65.6482 116.881 PRESSAVG: 1469600 -0.799431 -42.6247 -49.2375 -42.6247 55.5591 19.5393 -49.2376 19.5393 -7.2196 GPRESSAVG: 1469600 -0.213788 -41.7775 -49.9617 -44.0469 53.9044 21.5666 -50.9845 15.6596 -6.31937 TIMING: 1469600 CPU: 4268.41, 0.00291354/step Wall: 4268.41, 0.00291354/step, 2.85721 hours remaining, 205.566406 MB of memory in use. ENERGY: 1469600 775.7390 2143.3774 1964.4691 117.8880 -206311.9145 17831.5340 0.0000 0.0000 34203.4832 -149275.4239 298.7075 -183478.9071 -149179.4844 298.7274 -61.8259 -30.5010 556896.5730 15.8467 15.7904 PRESSURE: 1469800 51.3307 -171.587 -91.2512 -171.588 -90.8936 112.023 -91.25 112.021 51.2872 GPRESSURE: 1469800 58.6775 -126.056 -129.107 -103.686 13.1894 113.002 -97.7852 106.655 28.7778 PRESSAVG: 1469800 -7.13658 -71.9079 10.843 -71.9079 46.207 -11.8925 10.8429 -11.8926 -12.4534 GPRESSAVG: 1469800 -7.24923 -73.1319 9.55615 -69.9753 46.691 -11.5119 13.5709 -10.8038 -12.8825 TIMING: 1469800 CPU: 4269, 0.00295064/step Wall: 4269, 0.00295064/step, 2.89343 hours remaining, 205.566406 MB of memory in use. ENERGY: 1469800 716.2615 2127.4058 1968.1669 121.5533 -206344.4775 17917.2679 0.0000 0.0000 34231.4691 -149262.3532 298.9519 -183493.8223 -149167.4338 299.2566 3.9081 33.5482 557064.1916 8.8723 8.8531 PRESSURE: 1470000 -201.736 -158.647 52.1378 -158.646 138.812 -160.207 52.1389 -160.208 -145.993 GPRESSURE: 1470000 -245.616 -134.323 44.0086 -279.878 197.631 -199.747 82.1121 -153.186 -79.825 PRESSAVG: 1470000 7.64586 -21.9216 -57.0007 -21.9216 7.76502 -55.369 -57.0007 -55.369 -51.0841 GPRESSAVG: 1470000 6.26793 -20.5288 -55.1945 -20.9001 8.79783 -57.7886 -59.6227 -53.558 -51.1166 TIMING: 1470000 CPU: 4269.58, 0.00290442/step Wall: 4269.58, 0.00290442/step, 2.84795 hours remaining, 205.566406 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: 1470000 765.4620 2163.1648 1978.8423 109.9333 -206501.1291 17905.3960 0.0000 0.0000 34187.0649 -149391.2659 298.5641 -183578.3308 -149290.9784 298.5215 -69.6391 -42.6032 557760.0565 -11.8911 -12.0169 PRESSURE: 1470200 -45.2525 68.6246 27.9278 68.6249 -214.198 39.1843 27.9284 39.1833 141.54 GPRESSURE: 1470200 -37.9688 7.93834 31.7565 143.222 -209.445 -71.4346 149.493 19.4817 209.232 PRESSAVG: 1470200 19.2545 -9.32315 -66.0607 -9.32308 -2.24434 -35.7473 -66.0607 -35.7473 -47.7883 GPRESSAVG: 1470200 19.9391 -9.87319 -69.2004 -9.85312 -2.56903 -35.9838 -63.7922 -37.4733 -48.2548 TIMING: 1470200 CPU: 4270.16, 0.00291099/step Wall: 4270.16, 0.00291099/step, 2.85422 hours remaining, 205.566406 MB of memory in use. ENERGY: 1470200 760.3841 2118.9073 1985.0070 117.9263 -206214.3859 17664.0899 0.0000 0.0000 34266.5282 -149301.5432 299.2581 -183568.0714 -149203.1609 298.4884 -39.3037 -12.7275 556411.0209 -10.2594 -10.2949 PRESSURE: 1470400 -195.374 -14.6669 90.5144 -14.6668 -41.6552 87.9922 90.5159 87.9931 -520.244 GPRESSURE: 1470400 -171.729 32.7161 100.157 -86.0602 3.6361 81.3042 -17.5838 52.1387 -488.081 PRESSAVG: 1470400 2.22787 -58.1852 10.0251 -58.1851 81.7763 -3.92053 10.0251 -3.92045 -85.3676 GPRESSAVG: 1470400 2.57875 -60.1679 12.0264 -58.2761 80.6124 -2.75793 9.79184 -4.14798 -84.1779 TIMING: 1470400 CPU: 4270.74, 0.00290408/step Wall: 4270.74, 0.00290408/step, 2.84729 hours remaining, 205.566406 MB of memory in use. ENERGY: 1470400 752.7928 2097.2236 1974.3192 108.8062 -205920.3464 17390.2743 0.0000 0.0000 34437.0111 -149159.9192 300.7470 -183596.9303 -149052.4657 299.2175 -252.4245 -218.7247 557936.9096 -0.4545 -0.3289 PRESSURE: 1470600 66.9621 -130.091 123.916 -130.089 2.8556 -119.252 123.916 -119.252 -59.4963 GPRESSURE: 1470600 83.2022 -52.9005 171.58 -144.641 23.981 -85.5062 78.4724 -131.414 3.47636 PRESSAVG: 1470600 -25.4387 12.6549 62.9756 12.6549 6.9428 51.2255 62.9756 51.2256 -6.09152 GPRESSAVG: 1470600 -24.9509 12.9403 63.7106 11.2611 8.86493 52.3657 62.7757 52.0672 -7.7199 TIMING: 1470600 CPU: 4271.32, 0.00290262/step Wall: 4271.32, 0.00290262/step, 2.8457 hours remaining, 205.566406 MB of memory in use. ENERGY: 1470600 734.5208 2136.1547 1944.7986 104.2406 -206057.7379 17699.8964 0.0000 0.0000 34270.7600 -149167.3668 299.2951 -183438.1268 -149067.8279 299.8414 3.4405 36.8865 557111.0305 -8.1958 -7.9353 PRESSURE: 1470800 63.737 -111.586 -53.2407 -111.585 16.3012 -176.021 -53.2412 -176.021 70.0973 GPRESSURE: 1470800 150.706 -58.6815 -20.6954 -102.843 34.3304 -49.8791 -29.138 -253.016 80.3332 PRESSAVG: 1470800 -20.3413 -21.3125 -30.3523 -21.3125 20.6959 27.9701 -30.3523 27.97 -4.41237 GPRESSAVG: 1470800 -19.1492 -19.7612 -31.7357 -20.6018 20.0542 30.1242 -32.0778 28.0291 -4.96325 TIMING: 1470800 CPU: 4271.9, 0.00288134/step Wall: 4271.9, 0.00288134/step, 2.82468 hours remaining, 205.566406 MB of memory in use. ENERGY: 1470800 756.0238 2106.5744 1968.0317 107.3779 -206296.4112 17898.7742 0.0000 0.0000 34291.6190 -149168.0101 299.4772 -183459.6292 -149067.1221 299.3516 50.0452 88.4565 555524.9943 -1.3526 -1.3528 PRESSURE: 1471000 214.702 81.3302 3.20364 81.3321 -241.396 60.1987 3.20264 60.199 -151.061 GPRESSURE: 1471000 250.122 48.877 -3.10227 91.413 -198.541 98.9508 67.3611 -1.99904 -136.708 PRESSAVG: 1471000 88.3504 8.7359 14.934 8.73598 -17.5832 5.11191 14.934 5.11192 -110.642 GPRESSAVG: 1471000 87.7525 7.31906 15.9639 9.69203 -18.0542 4.95022 15.8762 4.7621 -110.06 TIMING: 1471000 CPU: 4272.47, 0.00289204/step Wall: 4272.47, 0.00289204/step, 2.835 hours remaining, 205.566406 MB of memory in use. ENERGY: 1471000 744.8208 2134.8564 1953.9864 111.2620 -206090.9089 17751.3364 0.0000 0.0000 34216.4224 -149178.2244 298.8205 -183394.6469 -149084.8882 299.3764 -59.2520 -28.3759 556599.7452 -13.2918 -13.4538 PRESSURE: 1471200 32.9821 -106.86 -149.636 -106.86 -95.2722 13.9632 -149.637 13.9636 251.288 GPRESSURE: 1471200 47.4351 -191.455 -169.266 -141.236 -54.7739 41.9348 -114.952 -30.8013 292.183 PRESSAVG: 1471200 29.8267 -17.1915 5.00953 -17.1914 27.5831 -37.3106 5.00955 -37.3107 12.7034 GPRESSAVG: 1471200 29.5724 -17.0891 5.09317 -18.0552 27.5023 -38.042 4.53345 -37.1915 12.5842 TIMING: 1471200 CPU: 4273.06, 0.00291158/step Wall: 4273.06, 0.00291158/step, 2.854 hours remaining, 205.769531 MB of memory in use. ENERGY: 1471200 775.6662 2076.6702 1920.4401 112.9250 -205988.2095 17888.8341 0.0000 0.0000 34144.6560 -149069.0179 298.1938 -183213.6740 -148976.1752 299.1324 62.9995 94.9482 556256.1400 23.3711 23.2196 PRESSURE: 1471400 25.9489 48.8088 132.852 48.8079 -273.681 -129.12 132.852 -129.12 -418.053 GPRESSURE: 1471400 105.848 125.079 138.601 79.9527 -263.612 -151.566 71.6115 -116.717 -427.56 PRESSAVG: 1471400 53.3845 -19.4394 -0.39456 -19.4394 -1.82837 -14.652 -0.394541 -14.6519 -55.205 GPRESSAVG: 1471400 54.0841 -20.4758 -1.84839 -18.2327 -1.79895 -14.818 1.42263 -15.7505 -56.1578 TIMING: 1471400 CPU: 4273.64, 0.00289385/step Wall: 4273.64, 0.00289385/step, 2.83645 hours remaining, 205.769531 MB of memory in use. ENERGY: 1471400 742.1543 2122.6434 1945.4406 106.3936 -206021.4417 17550.0651 0.0000 0.0000 34252.2304 -149302.5143 299.1332 -183554.7446 -149205.8663 299.3457 -221.9284 -195.1079 558241.8541 -1.2163 -1.2909 PRESSURE: 1471600 -130.988 -111.471 138.378 -111.469 -170.071 -76.7887 138.379 -76.7865 -61.5777 GPRESSURE: 1471600 -110.914 -101.009 209.147 -123.854 -98.3122 71.4817 158.111 -94.1379 -69.8109 PRESSAVG: 1471600 -16.897 -17.0974 -9.32876 -17.0973 36.3664 -54.5 -9.32872 -54.5 -32.7539 GPRESSAVG: 1471600 -19.0871 -16.2104 -7.75284 -19.5395 36.843 -54.6933 -9.89663 -53.2415 -31.2289 TIMING: 1471600 CPU: 4274.22, 0.00292431/step Wall: 4274.22, 0.00292431/step, 2.86615 hours remaining, 205.769531 MB of memory in use. ENERGY: 1471600 773.1384 2129.0686 1946.9851 120.1671 -206180.9323 17743.9099 0.0000 0.0000 34198.2243 -149269.4390 298.6616 -183467.6632 -149177.0880 298.9515 -120.8788 -93.0123 559185.6259 -4.4282 -4.4910 PRESSURE: 1471800 170.674 -80.8644 -110.072 -80.8634 245.848 -75.3168 -110.072 -75.3171 -117.327 GPRESSURE: 1471800 232.294 25.7532 -27.0592 -14.3274 251.822 -16.0257 -161.683 -52.0687 -77.0107 PRESSAVG: 1471800 -46.2839 -18.0613 39.0706 -18.0613 83.4375 1.79904 39.0706 1.79899 -56.3426 GPRESSAVG: 1471800 -44.0555 -17.4871 38.1296 -16.9041 81.6762 3.51401 39.4188 1.76251 -56.9919 TIMING: 1471800 CPU: 4274.81, 0.00293979/step Wall: 4274.81, 0.00293979/step, 2.88116 hours remaining, 205.769531 MB of memory in use. ENERGY: 1471800 756.4924 2102.3333 1957.5567 120.4748 -206498.0944 18146.9356 0.0000 0.0000 34386.8422 -149027.4594 300.3088 -183414.3016 -148923.1446 299.5853 99.7314 135.7018 557086.5241 -6.3963 -6.4571 PRESSURE: 1472000 -53.0167 -41.1479 -16.3206 -41.1464 -108.718 60.8077 -16.3196 60.806 -101.762 GPRESSURE: 1472000 -21.5308 -54.4447 32.0318 -63.8908 -108.469 24.7909 -129.395 35.8869 -34.0707 PRESSAVG: 1472000 34.36 -18.417 19.3802 -18.417 50.9244 -27.7697 19.3801 -27.7698 -53.3056 GPRESSAVG: 1472000 31.8837 -19.6625 20.649 -17.1345 52.8828 -29.4443 17.4078 -28.0923 -52.585 TIMING: 1472000 CPU: 4275.39, 0.00291581/step Wall: 4275.39, 0.00291581/step, 2.85749 hours remaining, 205.769531 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: 1472000 709.3796 2074.0723 1977.9874 122.3806 -205884.9000 17579.2301 0.0000 0.0000 34318.2480 -149103.6020 299.7098 -183421.8500 -149006.9113 299.4265 -87.8324 -54.6902 558021.5366 10.6596 10.7272 PRESSURE: 1472200 241.54 16.752 -67.0032 16.7527 -177.773 45.2053 -67.0024 45.206 373.783 GPRESSURE: 1472200 248.295 -19.8498 -111.431 -5.01406 -94.0832 38.2797 -54.3226 -55.3809 371.459 PRESSAVG: 1472200 57.4606 4.92027 -22.515 4.92025 -1.93513 -6.83909 -22.515 -6.83883 -97.241 GPRESSAVG: 1472200 58.6241 4.7143 -20.9514 2.25104 -3.75416 -6.44478 -22.3905 -8.50438 -96.5119 TIMING: 1472200 CPU: 4275.98, 0.00293773/step Wall: 4275.98, 0.00293773/step, 2.87881 hours remaining, 205.769531 MB of memory in use. ENERGY: 1472200 715.3597 2085.1684 1963.5612 123.4996 -206275.3198 17983.2867 0.0000 0.0000 34324.6736 -149079.7706 299.7659 -183404.4442 -148984.6841 299.3580 145.8501 175.2236 556890.8196 -13.9052 -13.8806 LDB: ============= START OF LOAD BALANCING ============== 4279.45 LDB: ============== END OF LOAD BALANCING =============== 4279.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.45 LDB: ============= START OF LOAD BALANCING ============== 4279.74 LDB: Largest compute 4821 load 0.029716 is 25.3% of average load 0.117638 LDB: Average compute 0.001736 is 1.5% of average load 0.117638 LDB: TIME 4279.75 LOAD: AVG 0.117638 MAX 0.174735 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.082 MB LDB: TIME 4279.75 LOAD: AVG 0.117638 MAX 0.174735 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.121 MB LDB: TIME 4279.75 LOAD: AVG 0.117638 MAX 0.174735 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.121 MB LDB: ============== END OF LOAD BALANCING =============== 4279.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4279.75 PRESSURE: 1472400 96.4225 140.976 -56.2664 140.975 4.59472 -110.941 -56.2664 -110.943 -259.576 GPRESSURE: 1472400 129.261 123.269 -30.1374 39.4251 36.731 -129.478 -60.3321 -106.884 -229.453 PRESSAVG: 1472400 52.7654 9.42179 -46.298 9.42169 3.47955 -28.2207 -46.298 -28.2207 -55.8667 GPRESSAVG: 1472400 51.6265 11.0038 -47.0555 12.1829 3.91183 -27.076 -46.3022 -28.0939 -55.1837 TIMING: 1472400 CPU: 4276.58, 0.0029868/step Wall: 4276.58, 0.0029868/step, 2.92674 hours remaining, 204.066406 MB of memory in use. ENERGY: 1472400 749.4675 2107.6719 1943.1111 119.4051 -206069.4743 17849.9484 0.0000 0.0000 34117.3302 -149182.5401 297.9551 -183299.8703 -149080.2192 299.5471 -52.8531 -21.1537 558256.0688 0.1261 0.1182 PRESSURE: 1472600 -35.1397 80.4521 124.155 80.4533 -45.4718 72.2502 124.154 72.2487 -40.1916 GPRESSURE: 1472600 -9.06644 22.1839 154.597 111.834 -65.0497 48.9391 153.575 119.615 45.319 PRESSAVG: 1472600 -11.7009 19.7934 2.10512 19.7934 20.2543 14.3158 2.10512 14.3158 -38.6821 GPRESSAVG: 1472600 -10.6451 20.0598 0.522799 18.5179 20.2667 13.4303 3.32506 16.7819 -39.8314 TIMING: 1472600 CPU: 4277.16, 0.00292935/step Wall: 4277.16, 0.00292935/step, 2.87028 hours remaining, 204.269531 MB of memory in use. ENERGY: 1472600 737.7584 2146.8482 1940.0600 104.2114 -205762.3670 17636.7049 0.0000 0.0000 34151.0836 -149045.7006 298.2499 -183196.7841 -148953.7700 299.6550 -40.2677 -9.5990 558653.2080 -10.0429 -10.0699 PRESSURE: 1472800 170.113 -33.4912 92.2131 -33.4909 -23.2634 -29.8767 92.2111 -29.8779 -45.343 GPRESSURE: 1472800 176.618 -155.138 142.226 38.9953 27.0592 -104.747 72.695 38.6557 -5.42023 PRESSAVG: 1472800 -43.818 55.4805 20.2882 55.4805 16.6022 14.3493 20.2882 14.3491 48.3053 GPRESSAVG: 1472800 -44.2107 53.9148 22.3186 56.7413 16.6549 14.1232 19.7958 11.9301 48.8979 TIMING: 1472800 CPU: 4277.75, 0.00291953/step Wall: 4277.75, 0.00291953/step, 2.8605 hours remaining, 204.269531 MB of memory in use. ENERGY: 1472800 727.2968 2027.3986 1955.4112 113.6834 -206094.5976 17879.9767 0.0000 0.0000 34274.6582 -149116.1728 299.3291 -183390.8309 -149027.9675 299.8966 33.8357 66.0858 558094.1096 7.0299 7.1140 PRESSURE: 1473000 -76.0477 -84.255 273.984 -84.2537 -27.0131 -52.5961 273.983 -52.5968 69.5953 GPRESSURE: 1473000 -39.3337 -32.0853 281.859 -112.45 13.2807 -28.7054 227.455 -76.5836 77.0773 PRESSAVG: 1473000 20.1792 -36.1961 46.6733 -36.1961 14.4985 17.4777 46.6732 17.4777 -36.4149 GPRESSAVG: 1473000 21.2322 -37.171 46.1735 -35.8343 14.0976 18.289 46.4409 16.5982 -36.3708 TIMING: 1473000 CPU: 4278.33, 0.00290845/step Wall: 4278.33, 0.00290845/step, 2.84947 hours remaining, 204.269531 MB of memory in use. ENERGY: 1473000 742.1610 2071.5884 1948.9161 107.5445 -206291.2077 17984.0631 0.0000 0.0000 34028.3740 -149408.5606 297.1783 -183436.9346 -149316.7752 298.9826 -11.1552 17.0081 558207.0183 -0.5790 -0.3470 PRESSURE: 1473200 -299.197 -202.119 15.7639 -202.119 74.5965 -18.2729 15.764 -18.2724 -207.203 GPRESSURE: 1473200 -226.14 -148.811 -3.60075 -182.231 110.351 8.28496 52.5266 -50.797 -229.339 PRESSAVG: 1473200 -65.5865 -71.2813 4.35706 -71.2813 27.1041 -18.9507 4.35703 -18.9506 5.7273 GPRESSAVG: 1473200 -66.294 -69.0329 4.97979 -72.7635 27.3655 -18.9481 4.73282 -15.6789 6.28332 TIMING: 1473200 CPU: 4278.91, 0.00290638/step Wall: 4278.91, 0.00290638/step, 2.84728 hours remaining, 204.511719 MB of memory in use. ENERGY: 1473200 740.3920 2065.5975 1949.3680 110.7260 -206127.3384 17728.9322 0.0000 0.0000 34230.2854 -149302.0372 298.9416 -183532.3226 -149208.0124 298.4378 -143.9345 -115.0427 557502.2469 -10.9184 -10.8817 PRESSURE: 1473400 -140.014 -13.9316 -13.5375 -13.9317 -166.237 -100.022 -13.537 -100.022 7.6822 GPRESSURE: 1473400 -79.6343 13.9401 -22.1927 63.0738 -148.379 -10.4914 7.40879 -49.4996 8.43719 PRESSAVG: 1473400 -43.6532 0.655253 -45.282 0.655209 -24.412 -22.0037 -45.282 -22.0037 61.6931 GPRESSAVG: 1473400 -43.7179 0.98982 -46.7897 0.248623 -24.2966 -19.8982 -44.2282 -24.5807 60.6901 TIMING: 1473400 CPU: 4279.49, 0.00290831/step Wall: 4279.49, 0.00290831/step, 2.84901 hours remaining, 204.511719 MB of memory in use. ENERGY: 1473400 741.4774 2065.2095 1931.8973 108.5001 -206222.5850 17744.7259 0.0000 0.0000 34141.1933 -149489.5814 298.1635 -183630.7748 -149390.6912 298.7304 -99.5230 -73.1920 557524.2967 -2.1240 -2.4415 PRESSURE: 1473600 -66.7074 30.7542 185.65 30.7544 -201.043 69.7959 185.649 69.7965 60.7442 GPRESSURE: 1473600 -12.1154 91.2129 163.411 23.9264 -162.248 44.0851 204.649 59.3864 55.4629 PRESSAVG: 1473600 -9.79034 37.4041 -31.2979 37.4041 -18.8696 -0.570956 -31.2978 -0.571095 42.3691 GPRESSAVG: 1473600 -9.5319 39.4099 -33.8404 37.1003 -19.5888 -4.05682 -31.3944 1.27211 42.8602 TIMING: 1473600 CPU: 4280.07, 0.00289288/step Wall: 4280.07, 0.00289288/step, 2.83373 hours remaining, 204.511719 MB of memory in use. ENERGY: 1473600 746.1434 2125.5769 1962.3099 109.5935 -205899.4253 17595.6354 0.0000 0.0000 34024.5678 -149335.5983 297.1450 -183360.1661 -149249.6187 298.8031 -69.0019 -39.6337 558158.1121 4.5697 4.5798 PRESSURE: 1473800 -136.038 43.3773 -49.0266 43.3767 85.8342 147.085 -49.0255 147.086 257.708 GPRESSURE: 1473800 -61.5933 39.6333 -30.7344 130.272 121.106 114.838 -0.918433 131.976 245.76 PRESSAVG: 1473800 -45.8236 55.0432 46.6924 55.0433 74.7448 2.73273 46.6924 2.73272 -66.6502 GPRESSAVG: 1473800 -46.722 51.7331 50.2753 55.6417 76.8044 4.5757 47.161 2.69767 -67.3993 TIMING: 1473800 CPU: 4280.65, 0.00290907/step Wall: 4280.65, 0.00290907/step, 2.84944 hours remaining, 204.511719 MB of memory in use. ENERGY: 1473800 738.9243 2074.6452 1964.0100 116.2586 -206842.1188 18017.4538 0.0000 0.0000 34485.2074 -149445.6195 301.1679 -183930.8268 -149357.1382 298.1580 69.1679 101.7574 556083.3449 -12.5763 -12.4390 PRESSURE: 1474000 -195.026 -122.446 -58.9628 -122.445 190.113 42.7836 -58.9609 42.7828 -67.8958 GPRESSURE: 1474000 -101.532 -74.521 21.8663 -139.858 159.885 5.65022 -112.635 35.885 -44.9443 PRESSAVG: 1474000 -60.0393 20.3205 -91.7722 20.3204 11.2428 39.044 -91.7722 39.0441 42.3817 GPRESSAVG: 1474000 -59.8657 16.4052 -91.7169 21.0441 10.039 37.774 -93.9849 39.7731 43.3872 TIMING: 1474000 CPU: 4281.24, 0.00293072/step Wall: 4281.24, 0.00293072/step, 2.87047 hours remaining, 204.511719 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: 1474000 756.6280 2056.3369 1970.4563 112.5578 -205958.4500 17663.2689 0.0000 0.0000 34059.5510 -149339.6512 297.4505 -183399.2022 -149243.7633 298.4478 -24.2696 4.4698 557327.0290 -2.1383 -2.1465 PRESSURE: 1474200 -90.8885 90.2677 -90.2932 90.2679 15.2266 93.7045 -90.2926 93.703 136.279 GPRESSURE: 1474200 -108.658 80.3076 -29.4429 61.919 125.171 79.9004 -170.5 110.651 137.541 PRESSAVG: 1474200 -1.68569 27.356 -26.5567 27.356 86.0514 -32.676 -26.5567 -32.6759 -82.9198 GPRESSAVG: 1474200 -1.7353 30.4655 -26.5017 27.2086 86.5293 -33.4166 -25.9182 -34.3516 -83.5117 TIMING: 1474200 CPU: 4281.82, 0.00291023/step Wall: 4281.82, 0.00291023/step, 2.85024 hours remaining, 204.511719 MB of memory in use. ENERGY: 1474200 715.2242 2107.4472 1966.6480 112.4299 -206287.7380 17866.6253 0.0000 0.0000 34257.0641 -149262.2992 299.1755 -183519.3633 -149160.2205 298.8003 20.2056 51.3512 558206.2891 0.4820 0.4274 PRESSURE: 1474400 -142.778 4.67717 143.184 4.67668 300.668 114.109 143.184 114.109 8.78143 GPRESSURE: 1474400 -112.795 25.1292 138.481 -73.6974 279.541 76.7192 133.188 72.7282 97.4335 PRESSAVG: 1474400 -13.8853 0.225086 -28.5482 0.224994 -19.5287 2.13554 -28.5481 2.13563 19.1924 GPRESSAVG: 1474400 -13.2296 0.26172 -30.953 -1.49171 -20.1298 2.26874 -25.9366 2.92344 19.2422 TIMING: 1474400 CPU: 4282.4, 0.00290369/step Wall: 4282.4, 0.00290369/step, 2.84368 hours remaining, 204.511719 MB of memory in use. ENERGY: 1474400 718.2045 2132.5144 1937.8920 105.3088 -206162.2854 17907.5105 0.0000 0.0000 34238.9870 -149121.8682 299.0176 -183360.8552 -149022.4251 299.1466 55.5569 88.0600 557005.3343 -4.7405 -4.7057 PRESSURE: 1474600 98.6399 -168.71 96.5488 -168.711 95.4322 -95.0406 96.548 -95.0395 -119.497 GPRESSURE: 1474600 89.296 -180.12 144.139 -146.689 105.472 -16.8151 53.7289 -94.6536 -32.4335 PRESSAVG: 1474600 30.5238 -22.052 26.551 -22.0519 31.5696 -15.2744 26.551 -15.2743 -27.5252 GPRESSAVG: 1474600 29.852 -20.8992 28.2382 -20.6927 31.1047 -16.2967 25.0745 -14.9359 -26.9547 TIMING: 1474600 CPU: 4282.98, 0.00288334/step Wall: 4282.98, 0.00288334/step, 2.82359 hours remaining, 204.511719 MB of memory in use. ENERGY: 1474600 696.9762 2072.6454 1985.6905 106.4523 -205964.5002 17575.5496 0.0000 0.0000 34293.1355 -149234.0507 299.4905 -183527.1862 -149134.9084 299.2588 24.8582 54.1115 556239.1538 11.5227 11.3340 PRESSURE: 1474800 -164.497 124.727 113.092 124.727 -163.029 -76.8155 113.093 -76.8152 -320.825 GPRESSURE: 1474800 -179.961 116.898 34.5969 79.0301 -120.239 -82.633 103.971 -20.8759 -255.653 PRESSAVG: 1474800 41.6781 40.2355 2.02137 40.2355 71.7398 -28.6452 2.0214 -28.645 -87.6993 GPRESSAVG: 1474800 42.5939 38.2771 4.17263 41.0388 72.6023 -26.6583 0.171765 -28.7778 -89.4112 TIMING: 1474800 CPU: 4283.55, 0.00287935/step Wall: 4283.55, 0.00287935/step, 2.81953 hours remaining, 204.511719 MB of memory in use. ENERGY: 1474800 776.5270 2093.2582 1966.6690 99.9210 -205890.7542 17530.2344 0.0000 0.0000 34207.6191 -149216.5254 298.7436 -183424.1445 -149122.0261 299.0557 -216.1170 -185.2847 556821.7558 8.5729 8.5950 PRESSURE: 1475000 -164.639 -9.06491 23.5106 -9.06431 -120.891 -22.7623 23.5101 -22.7621 -288.619 GPRESSURE: 1475000 -140.391 -21.8348 19.2878 -22.5928 -117.248 -55.1457 -16.9268 -1.45156 -217.185 PRESSAVG: 1475000 55.107 -2.34675 21.6062 -2.34678 49.7004 -24.2411 21.6061 -24.2411 -76.2276 GPRESSAVG: 1475000 53.492 -1.15467 20.186 -4.24257 49.2679 -22.7652 21.5752 -26.2567 -73.6998 TIMING: 1475000 CPU: 4284.13, 0.00288323/step Wall: 4284.13, 0.00288323/step, 2.82317 hours remaining, 204.511719 MB of memory in use. ENERGY: 1475000 766.2587 2070.6331 1977.5675 118.5902 -205737.5183 17482.2334 0.0000 0.0000 34216.1313 -149106.1040 298.8180 -183322.2354 -149009.2681 299.3393 -191.3829 -158.2748 557099.5582 9.5266 9.6867 PRESSURE: 1475200 -96.9945 -108.179 22.7842 -108.179 -206.584 139.914 22.7831 139.913 -66.5939 GPRESSURE: 1475200 -34.3633 -146.889 58.9638 -138.551 -241.764 108.337 24.2916 55.2347 9.20076 PRESSAVG: 1475200 25.2169 -29.201 30.0507 -29.2011 -22.6695 3.11696 30.0506 3.11687 -7.78412 GPRESSAVG: 1475200 27.4201 -28.492 31.6006 -28.9892 -23.2156 3.61662 30.5694 5.41415 -9.77254 TIMING: 1475200 CPU: 4284.71, 0.00288964/step Wall: 4284.71, 0.00288964/step, 2.82928 hours remaining, 204.511719 MB of memory in use. ENERGY: 1475200 769.2584 2079.3003 2000.6395 109.8181 -205931.5865 17559.4305 0.0000 0.0000 34352.1829 -149060.9568 300.0062 -183413.1397 -148968.8193 299.5507 -123.3906 -88.9754 556061.1219 -1.7456 -1.8560 PRESSURE: 1475400 -86.5975 28.7134 -16.932 28.7123 -100.788 -33.5978 -16.9314 -33.5974 -17.2638 GPRESSURE: 1475400 -64.4772 23.6029 -64.2767 53.2934 -93.9111 25.3452 -23.214 -85.9822 42.2863 PRESSAVG: 1475400 33.8272 -61.8201 16.6828 -61.8201 2.42404 -58.9979 16.6828 -58.9978 7.87307 GPRESSAVG: 1475400 31.5058 -60.3685 16.2195 -61.9858 3.78092 -59.3314 18.6056 -60.4019 8.37518 TIMING: 1475400 CPU: 4285.28, 0.00288397/step Wall: 4285.28, 0.00288397/step, 2.82357 hours remaining, 204.511719 MB of memory in use. ENERGY: 1475400 741.1514 2136.9093 2038.7830 121.4342 -205939.0443 17629.2336 0.0000 0.0000 34160.6902 -149110.8426 298.3338 -183271.5327 -149022.5220 300.1973 -68.2163 -38.7007 556851.9246 14.7081 14.5540 PRESSURE: 1475600 85.0443 -133.126 -84.7266 -133.127 -326.225 79.6748 -84.7269 79.6752 -186.375 GPRESSURE: 1475600 94.8615 -162.412 -99.6151 -80.5242 -298.282 13.4138 -13.3816 35.3231 -135.297 PRESSAVG: 1475600 18.522 -8.73108 -47.5566 -8.73105 30.1234 25.4609 -47.5567 25.4609 -27.9592 GPRESSAVG: 1475600 19.7299 -8.50377 -46.3119 -9.87997 28.9701 26.4992 -49.3466 25.6276 -27.8506 TIMING: 1475600 CPU: 4285.86, 0.00287719/step Wall: 4285.86, 0.00287719/step, 2.81677 hours remaining, 204.511719 MB of memory in use. ENERGY: 1475600 758.8692 2175.2968 1996.4782 114.3361 -205956.4681 17612.0755 0.0000 0.0000 34240.8946 -149058.5178 299.0342 -183299.4124 -148960.2042 300.1889 -142.5184 -112.9058 558157.2094 6.8954 6.9498 PRESSURE: 1475800 -284.306 4.78966 -165.655 4.79051 -160.065 69.6654 -165.653 69.6636 83.0909 GPRESSURE: 1475800 -236.376 -114.391 -157.733 23.0463 -171.254 94.6402 -109.297 77.5302 147.809 PRESSAVG: 1475800 -3.15257 -7.0961 -25.5269 -7.09609 -13.181 47.8581 -25.5268 47.8581 37.4583 GPRESSAVG: 1475800 -3.73266 -6.90151 -28.225 -7.25633 -13.9746 46.9792 -24.5781 47.804 38.7781 TIMING: 1475800 CPU: 4286.44, 0.00288525/step Wall: 4286.44, 0.00288525/step, 2.8245 hours remaining, 204.511719 MB of memory in use. ENERGY: 1475800 753.7488 2107.4677 1971.0915 118.2828 -205874.9519 17668.8325 0.0000 0.0000 34145.0515 -149110.4771 298.1972 -183255.5286 -149006.6589 300.1945 -120.4269 -86.6070 556990.9459 7.0416 7.0236 PRESSURE: 1476000 160.952 -7.53827 -126.029 -7.53754 -126.226 -46.7766 -126.031 -46.7761 160.882 GPRESSURE: 1476000 173.179 -21.3112 -103.206 -10.3694 -77.0205 -59.6703 -126.829 -9.46754 189.349 PRESSAVG: 1476000 -3.71551 -5.67496 -4.34256 -5.67489 15.3209 8.02284 -4.34257 8.02278 -0.704307 GPRESSAVG: 1476000 -2.26952 -4.84045 -2.66131 -5.08571 16.6309 8.45198 -3.84653 7.27449 -2.8836 TIMING: 1476000 CPU: 4287.01, 0.00287637/step Wall: 4287.01, 0.00287637/step, 2.81564 hours remaining, 204.511719 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: 1476000 752.7970 2116.6213 1987.0088 102.8748 -206338.7107 18017.5580 0.0000 0.0000 34384.9299 -148976.9207 300.2921 -183361.8506 -148876.2256 299.6537 65.2029 95.1692 557977.9765 3.6337 3.8259 PRESSURE: 1476200 186.089 -59.9922 81.6267 -59.9927 143.523 -165.054 81.6253 -165.054 225.404 GPRESSURE: 1476200 204.059 -116.566 158.241 -45.2254 158.808 -174.571 91.1347 -98.4665 282.187 PRESSAVG: 1476200 -12.8072 -4.42912 48.1748 -4.42926 -3.56492 -79.5807 48.1748 -79.5807 55.0933 GPRESSAVG: 1476200 -13.5742 -5.05157 47.2438 -4.37513 -2.20594 -79.3402 47.9487 -78.5479 53.9213 TIMING: 1476200 CPU: 4287.59, 0.00288784/step Wall: 4287.59, 0.00288784/step, 2.82672 hours remaining, 204.511719 MB of memory in use. ENERGY: 1476200 771.8556 2125.0818 1983.5946 103.7047 -206177.9099 18064.5239 0.0000 0.0000 34090.4542 -149038.6952 297.7204 -183129.1494 -148949.7945 299.2744 185.0053 215.0178 557701.4930 12.9071 12.7137 LDB: ============= START OF LOAD BALANCING ============== 4291.05 LDB: ============== END OF LOAD BALANCING =============== 4291.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4291.06 LDB: ============= START OF LOAD BALANCING ============== 4291.34 LDB: Largest compute 4821 load 0.030458 is 25.9% of average load 0.117688 LDB: Average compute 0.001733 is 1.5% of average load 0.117688 LDB: TIME 4291.35 LOAD: AVG 0.117688 MAX 0.17612 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.754 MB LDB: TIME 4291.35 LOAD: AVG 0.117688 MAX 0.17612 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.953 MB LDB: TIME 4291.35 LOAD: AVG 0.117688 MAX 0.17612 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4291.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4291.35 PRESSURE: 1476400 -242.942 -73.4118 -202.065 -73.4102 136.152 -221.305 -202.066 -221.305 -7.18745 GPRESSURE: 1476400 -189.243 -101.793 -230.508 -31.4095 152.966 -107.493 -224.023 -290.195 26.6764 PRESSAVG: 1476400 -1.67443 -41.1175 9.6259 -41.1176 34.0544 -29.5354 9.62601 -29.5354 -20.37 GPRESSAVG: 1476400 -2.8814 -41.5638 8.1766 -39.6324 33.9024 -31.3558 9.69206 -28.0295 -18.4731 TIMING: 1476400 CPU: 4288.18, 0.00294456/step Wall: 4288.18, 0.00294455/step, 2.88206 hours remaining, 206.257812 MB of memory in use. ENERGY: 1476400 761.0000 2083.8390 1968.4652 116.2508 -206277.8461 17932.7757 0.0000 0.0000 34267.9695 -149147.5459 299.2707 -183415.5154 -149056.8358 298.7181 -37.9925 -3.2003 558765.4575 4.0033 4.1826 PRESSURE: 1476600 -66.8533 89.3669 -107.242 89.3662 -81.2984 -15.1165 -107.241 -15.1163 -254.901 GPRESSURE: 1476600 -91.5308 93.0963 -92.4823 176.79 -18.8608 24.8681 -176.539 -20.6823 -202.731 PRESSAVG: 1476600 -26.3588 52.4048 4.44333 52.4049 8.29384 -18.834 4.44334 -18.834 34.8164 GPRESSAVG: 1476600 -26.1587 52.9061 6.11214 52.8221 8.65307 -16.5996 4.81653 -22.113 34.4585 TIMING: 1476600 CPU: 4288.76, 0.00288318/step Wall: 4288.76, 0.00288318/step, 2.82183 hours remaining, 206.257812 MB of memory in use. ENERGY: 1476600 769.7901 2083.5106 1973.0645 122.1429 -206416.2930 17811.3032 0.0000 0.0000 34402.0919 -149254.3897 300.4420 -183656.4815 -149162.5471 299.5620 -134.3509 -104.3742 558271.0666 5.5838 5.6510 PRESSURE: 1476800 -246.276 50.7135 -104.452 50.7125 -313.075 33.0853 -104.452 33.0841 -206.293 GPRESSURE: 1476800 -267.549 -24.6953 -46.2765 39.3356 -237.789 53.2084 -111.765 48.8421 -173.365 PRESSAVG: 1476800 -45.9167 14.4651 20.7066 14.4651 32.0671 -81.6147 20.7066 -81.6147 13.1923 GPRESSAVG: 1476800 -45.7076 13.398 19.1609 14.8051 32.1476 -82.4997 20.3335 -79.599 13.045 TIMING: 1476800 CPU: 4289.33, 0.00288725/step Wall: 4289.33, 0.00288725/step, 2.82566 hours remaining, 206.519531 MB of memory in use. ENERGY: 1476800 760.8832 2160.4074 1971.3915 104.9428 -206201.3014 17657.1973 0.0000 0.0000 34316.3646 -149230.1146 299.6933 -183546.4792 -149129.0454 299.1683 -255.2147 -226.2345 559503.8535 -0.2191 -0.1717 PRESSURE: 1477000 45.4162 31.4548 -55.4092 31.4533 -6.44228 -6.00264 -55.4105 -6.00195 193.065 GPRESSURE: 1477000 89.9529 43.7774 -8.31426 63.3964 -6.90768 24.0096 -26.6109 6.66917 234.355 PRESSAVG: 1477000 -64.9138 -11.9078 -13.8502 -11.9078 18.8057 25.4276 -13.8502 25.4276 81.7808 GPRESSAVG: 1477000 -63.2121 -15.0574 -12.0778 -11.1226 16.8799 24.105 -13.0075 26.9823 81.8472 TIMING: 1477000 CPU: 4289.91, 0.00290683/step Wall: 4289.91, 0.00290683/step, 2.84465 hours remaining, 206.519531 MB of memory in use. ENERGY: 1477000 726.7632 2117.7411 1980.0510 125.0387 -206445.3879 17927.4276 0.0000 0.0000 34276.1069 -149292.2594 299.3418 -183568.3663 -149196.4583 298.9419 77.3463 105.8002 557468.8916 11.8909 11.8384 PRESSURE: 1477200 -148.272 -134.035 -50.735 -134.034 -82.8568 202.731 -50.735 202.73 -174.391 GPRESSURE: 1477200 -106.019 -100.715 -14.1085 -175.72 -73.9627 153.313 18.0308 213.626 -118.108 PRESSAVG: 1477200 -67.0457 -53.4855 73.7217 -53.4855 21.0503 17.5523 73.7217 17.5524 44.9439 GPRESSAVG: 1477200 -68.8747 -50.5354 73.9583 -54.3055 22.1433 18.627 72.736 15.975 46.0026 TIMING: 1477200 CPU: 4290.49, 0.00289867/step Wall: 4290.49, 0.00289867/step, 2.83651 hours remaining, 206.519531 MB of memory in use. ENERGY: 1477200 731.4925 2120.2515 1972.8933 110.1636 -206127.8042 17748.2168 0.0000 0.0000 34130.7973 -149313.9892 298.0727 -183444.7865 -149212.1286 298.9599 -135.1733 -99.3633 557882.6270 -0.3505 -0.2429 PRESSURE: 1477400 39.1449 167.487 -20.3679 167.488 -13.371 -65.4358 -20.3671 -65.4355 71.8792 GPRESSURE: 1477400 124.62 121.61 -8.81104 193.397 27.5532 -128.717 -41.5624 -65.2308 37.0254 PRESSAVG: 1477400 21.4477 -28.7289 2.13471 -28.7288 -56.9198 37.2657 2.13474 37.2657 -5.98279 GPRESSAVG: 1477400 21.2729 -28.0474 1.98119 -28.5111 -55.7004 36.8934 2.91771 38.6934 -7.05291 TIMING: 1477400 CPU: 4291.07, 0.00289209/step Wall: 4291.07, 0.00289209/step, 2.82991 hours remaining, 206.519531 MB of memory in use. ENERGY: 1477400 774.2317 2182.8971 1955.7987 112.8808 -206731.0275 18041.0993 0.0000 0.0000 34195.3061 -149468.8137 298.6361 -183664.1197 -149375.3284 298.1573 32.5510 63.0662 557368.6404 -13.8183 -13.8268 PRESSURE: 1477600 -225.935 -9.24451 -152.571 -9.24418 141.243 187.674 -152.572 187.675 383.624 GPRESSURE: 1477600 -226.629 -11.4362 -100.68 -29.7038 180.604 240.883 -181.252 166.863 426.21 PRESSAVG: 1477600 -42.4076 59.7005 30.7161 59.7006 -22.1402 25.6628 30.7161 25.6629 45.0334 GPRESSAVG: 1477600 -43.3106 60.0756 31.285 59.5608 -23.0201 25.9079 28.4338 23.812 46.7053 TIMING: 1477600 CPU: 4291.65, 0.00287646/step Wall: 4291.65, 0.00287646/step, 2.81446 hours remaining, 206.519531 MB of memory in use. ENERGY: 1477600 756.3798 2081.2410 1993.2510 117.0939 -206681.7340 17955.3956 0.0000 0.0000 34303.8495 -149474.5232 299.5840 -183778.3727 -149380.4725 298.9166 99.6440 126.7282 557167.6721 -6.5048 -6.5418 PRESSURE: 1477800 175.845 -0.153116 60.7285 -0.15225 177.042 108.806 60.7301 108.807 148.093 GPRESSURE: 1477800 164.132 52.1956 36.8198 -52.3068 244.76 101.116 60.3505 163.009 185.81 PRESSAVG: 1477800 -59.4665 3.33793 66.2983 3.33795 24.4984 14.431 66.2983 14.4308 31.1966 GPRESSAVG: 1477800 -58.8371 2.81833 65.9015 2.67701 24.3623 14.9554 68.0516 16.1199 30.5414 TIMING: 1477800 CPU: 4292.23, 0.00289567/step Wall: 4292.23, 0.00289567/step, 2.83309 hours remaining, 206.519531 MB of memory in use. ENERGY: 1477800 734.6783 2163.4006 1969.0248 118.0828 -206896.7888 18096.4913 0.0000 0.0000 34450.6668 -149364.4443 300.8662 -183815.1111 -149272.2302 298.8261 166.9934 198.2340 555840.8926 -1.2572 -1.3111 PRESSURE: 1478000 48.2455 -47.8676 -23.2428 -47.8687 -90.1564 177.49 -23.2429 177.491 -240.321 GPRESSURE: 1478000 79.959 -41.461 32.2114 -28.052 -58.5803 160.008 -47.0774 204.684 -209.69 PRESSAVG: 1478000 -27.7036 -8.37818 19.1452 -8.37819 17.6544 85.6592 19.1452 85.6591 7.04266 GPRESSAVG: 1478000 -28.0086 -7.58176 19.6033 -10.2415 19.112 85.3161 20.0296 85.5216 5.92886 TIMING: 1478000 CPU: 4292.8, 0.0028826/step Wall: 4292.8, 0.0028826/step, 2.82015 hours remaining, 206.519531 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: 1478000 778.7986 2109.7005 1953.5778 113.6437 -206175.7909 17601.6296 0.0000 0.0000 34206.4617 -149411.9790 298.7335 -183618.4407 -149311.0244 298.9149 -94.0773 -62.7705 556846.2760 -1.0022 -0.9892 PRESSURE: 1478200 -134.382 103.159 -61.3472 103.158 211.017 -57.4043 -61.347 -57.4053 107.227 GPRESSURE: 1478200 -67.8212 142.642 -38.8902 73.5136 187.473 -63.7676 -0.575103 -82.844 157.224 PRESSAVG: 1478200 9.13124 30.4464 -19.378 30.4465 18.9296 -22.4144 -19.3779 -22.4144 1.46587 GPRESSAVG: 1478200 11.37 28.5451 -21.3256 33.0623 17.0864 -23.1036 -17.7991 -23.3953 1.32755 TIMING: 1478200 CPU: 4293.38, 0.00287464/step Wall: 4293.38, 0.00287464/step, 2.8122 hours remaining, 206.519531 MB of memory in use. ENERGY: 1478200 749.5015 2085.2272 1940.7404 124.2024 -206400.8208 17909.6929 0.0000 0.0000 34119.2360 -149472.2205 297.9718 -183591.4565 -149372.9467 298.1421 61.2875 92.2918 556419.7681 9.8422 9.9280 PRESSURE: 1478400 77.9645 64.9469 33.5193 64.9482 -21.4105 17.8055 33.5185 17.805 -19.6488 GPRESSURE: 1478400 106.407 72.758 59.0261 32.5018 -37.6068 109.429 37.2398 -99.5382 63.9997 PRESSAVG: 1478400 -64.996 63.7902 10.41 63.7902 24.2358 4.86611 10.4101 4.8661 68.5092 GPRESSAVG: 1478400 -66.511 65.7248 9.83438 63.1918 23.7834 6.45746 9.02003 6.6446 69.9927 TIMING: 1478400 CPU: 4293.95, 0.00287033/step Wall: 4293.95, 0.00287033/step, 2.80782 hours remaining, 206.519531 MB of memory in use. ENERGY: 1478400 753.6004 2104.1443 1943.6120 110.5546 -206261.5760 17968.2299 0.0000 0.0000 34077.6436 -149303.7912 297.6085 -183381.4349 -149210.4083 298.4843 12.3017 44.2667 557438.7768 9.2497 9.0883 PRESSURE: 1478600 77.9349 98.3359 86.2306 98.3351 -142.015 -38.0483 86.2312 -38.0487 -137.377 GPRESSURE: 1478600 152.612 158.428 11.4296 81.9285 -165.333 -28.3457 94.3021 -37.9647 -98.1346 PRESSAVG: 1478600 14.9366 31.7052 3.24032 31.7053 13.099 17.7253 3.24029 17.7253 -21.8502 GPRESSAVG: 1478600 14.705 30.6504 3.94752 32.4353 14.3643 17.0926 2.70703 16.4775 -23.375 TIMING: 1478600 CPU: 4294.53, 0.00287168/step Wall: 4294.53, 0.00287168/step, 2.80898 hours remaining, 206.597656 MB of memory in use. ENERGY: 1478600 793.1679 2124.8903 1957.6445 117.4108 -206379.6727 17745.0075 0.0000 0.0000 34374.2507 -149267.3011 300.1989 -183641.5518 -149171.4228 298.9001 -67.1522 -36.9518 558409.2270 2.0618 1.8981 PRESSURE: 1478800 -218.54 -98.3594 29.7176 -98.3602 -82.3646 72.1629 29.7178 72.1639 -331.42 GPRESSURE: 1478800 -163.767 -96.629 -59.875 -201.111 -73.7302 171.49 39.5386 54.6948 -297.589 PRESSAVG: 1478800 3.19466 20.6252 29.7704 20.6251 32.223 14.3523 29.7704 14.3523 10.7641 GPRESSAVG: 1478800 3.12107 21.9076 28.2576 19.6929 32.0915 12.5788 31.4809 16.0699 10.889 TIMING: 1478800 CPU: 4295.1, 0.00287585/step Wall: 4295.1, 0.00287585/step, 2.8129 hours remaining, 206.597656 MB of memory in use. ENERGY: 1478800 778.4296 2036.6124 1976.5683 121.2015 -206116.2708 17714.8680 0.0000 0.0000 34309.8806 -149178.7104 299.6367 -183488.5910 -149086.0012 299.9411 -210.7748 -178.3620 558429.3437 15.3939 15.3672 PRESSURE: 1479000 -18.7789 45.8055 0.818616 45.8056 218.152 128.107 0.818031 128.106 -66.6392 GPRESSURE: 1479000 22.3158 -34.7712 45.7659 62.1962 307.917 190.982 28.3111 46.02 -90.5953 PRESSAVG: 1479000 -30.3002 -40.1651 -30.603 -40.1652 68.7411 9.92443 -30.6031 9.92445 -41.4115 GPRESSAVG: 1479000 -30.1591 -42.9749 -27.9072 -37.9615 67.6135 13.8776 -32.2935 6.20565 -40.7684 TIMING: 1479000 CPU: 4295.68, 0.00288987/step Wall: 4295.68, 0.00288987/step, 2.82645 hours remaining, 206.597656 MB of memory in use. ENERGY: 1479000 761.6242 2074.5683 1962.0542 122.6900 -206317.7253 17940.7686 0.0000 0.0000 34381.3086 -149074.7114 300.2605 -183456.0200 -148980.7308 299.9812 44.2446 79.8792 557735.4407 -0.9902 -1.1046 PRESSURE: 1479200 -29.8261 -44.8938 137.538 -44.8942 -44.1273 -29.2341 137.537 -29.2344 -258.192 GPRESSURE: 1479200 25.4949 -104.459 140.592 -12.9488 -54.3971 -69.3856 89.7288 -71.9853 -196.521 PRESSAVG: 1479200 -30.4779 -14.1035 60.9045 -14.1035 39.1615 11.9774 60.9045 11.9773 -15.7459 GPRESSAVG: 1479200 -29.8733 -11.0754 59.8121 -16.644 39.8196 9.79562 61.7824 11.0265 -17.4981 TIMING: 1479200 CPU: 4296.26, 0.00288946/step Wall: 4296.26, 0.00288946/step, 2.82589 hours remaining, 206.636719 MB of memory in use. ENERGY: 1479200 743.7805 2120.2553 1943.2353 105.0118 -205837.0856 17626.7202 0.0000 0.0000 34286.8586 -149011.2240 299.4357 -183298.0826 -148913.2093 299.7446 -110.7151 -75.1410 558682.9364 -2.3541 -2.5172 PRESSURE: 1479400 -185.36 74.1567 148.91 74.1569 -23.8487 -5.95037 148.91 -5.95066 -100.734 GPRESSURE: 1479400 -154.191 66.6428 206.773 197.621 23.1077 -7.8454 163.091 -27.3391 -71.3441 PRESSAVG: 1479400 35.9416 16.4422 34.1984 16.4421 65.0634 -33.589 34.1985 -33.589 -92.9718 GPRESSAVG: 1479400 35.0788 17.1637 38.9496 16.8794 65.4636 -34.1194 33.7968 -31.6665 -92.5219 TIMING: 1479400 CPU: 4296.84, 0.00288801/step Wall: 4296.84, 0.00288801/step, 2.82431 hours remaining, 206.636719 MB of memory in use. ENERGY: 1479400 742.0923 2116.7497 1983.1265 131.8466 -205822.0079 17565.7338 0.0000 0.0000 34299.7843 -148982.6747 299.5485 -183282.4590 -148889.9842 300.1879 -103.3140 -67.4758 558747.8628 2.6777 2.6735 PRESSURE: 1479600 337.951 -36.5569 42.5482 -36.5568 -102.098 -154.981 42.5495 -154.98 141.922 GPRESSURE: 1479600 400.357 -91.9106 35.6226 55.194 -71.1682 -149.18 30.6774 -96.9583 136.013 PRESSAVG: 1479600 -4.18753 31.6523 13.4987 31.6523 -37.7804 35.788 13.4986 35.7881 -22.5999 GPRESSAVG: 1479600 -4.53237 28.7244 9.16518 32.1039 -36.5482 35.2896 14.0625 36.5158 -23.346 TIMING: 1479600 CPU: 4297.41, 0.00288181/step Wall: 4297.41, 0.00288181/step, 2.81809 hours remaining, 206.636719 MB of memory in use. ENERGY: 1479600 722.2835 2108.3519 1958.0123 118.9816 -205973.5191 17793.1159 0.0000 0.0000 34418.6160 -148854.1579 300.5863 -183272.7739 -148755.8514 300.3324 125.9253 155.0672 558374.4797 -21.5226 -21.4755 PRESSURE: 1479800 -60.4731 91.2368 -184.209 91.2375 -53.1874 -30.0845 -184.207 -30.0833 -547.852 GPRESSURE: 1479800 -80.1718 146.441 -73.7843 85.3952 -53.2015 -30.5718 -218.871 -30.4117 -433.999 PRESSAVG: 1479800 63.184 -33.0338 23.723 -33.0338 -33.4882 -11.1942 23.7229 -11.1942 -33.7828 GPRESSAVG: 1479800 63.5508 -31.1113 26.1782 -32.2333 -34.0613 -8.75727 21.5755 -11.5724 -33.5437 TIMING: 1479800 CPU: 4297.99, 0.00289076/step Wall: 4297.99, 0.00289076/step, 2.82668 hours remaining, 206.636719 MB of memory in use. ENERGY: 1479800 733.3071 2145.6981 1966.4349 104.7963 -205707.9310 17453.6005 0.0000 0.0000 34401.1823 -148902.9117 300.4341 -183304.0940 -148806.4144 300.4903 -220.5040 -189.1240 558440.7877 -1.3623 -1.3514 PRESSURE: 1480000 93.737 9.02678 186.729 9.02725 20.2963 -52.3547 186.727 -52.3525 392.331 GPRESSURE: 1480000 180.126 -18.9162 110.342 34.2161 26.1023 -70.8084 168.414 -108.733 408.497 PRESSAVG: 1480000 22.5468 30.8721 -1.62841 30.8721 29.5257 -27.6564 -1.62837 -27.6564 -69.1387 GPRESSAVG: 1480000 23.1482 31.5796 -2.26947 28.6761 28.691 -27.9684 -0.0371694 -29.084 -68.7503 TIMING: 1480000 CPU: 4298.56, 0.00286929/step Wall: 4298.56, 0.00286929/step, 2.80553 hours remaining, 206.636719 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: 1480000 747.8824 2078.0042 1961.2534 113.3510 -206418.8517 18226.6213 0.0000 0.0000 34389.9056 -148901.8338 300.3356 -183291.7394 -148809.0293 300.0530 168.7882 204.9084 557875.0092 -5.6887 -5.6370 PRESSURE: 1480200 185.518 56.7336 90.9788 56.7319 -54.7436 48.5231 90.9798 48.5239 1.33961 GPRESSURE: 1480200 192.596 64.5991 61.7528 36.5033 -29.834 107.648 78.3165 10.658 71.2098 PRESSAVG: 1480200 -40.8731 -32.4273 -17.9505 -32.4273 20.3444 10.9623 -17.9504 10.9623 36.9542 GPRESSAVG: 1480200 -40.3878 -34.0271 -15.9123 -32.6406 20.0593 9.8451 -19.2035 12.1869 37.1144 TIMING: 1480200 CPU: 4299.14, 0.00287503/step Wall: 4299.14, 0.00287503/step, 2.81098 hours remaining, 206.636719 MB of memory in use. ENERGY: 1480200 754.8358 2158.7489 1940.4834 105.7358 -206196.8922 17889.1539 0.0000 0.0000 34228.3080 -149119.6263 298.9243 -183347.9343 -149029.4089 299.8418 44.0380 77.9906 558073.5541 5.4751 5.5953 LDB: ============= START OF LOAD BALANCING ============== 4302.6 LDB: ============== END OF LOAD BALANCING =============== 4302.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4302.6 LDB: ============= START OF LOAD BALANCING ============== 4302.9 LDB: Largest compute 4821 load 0.031031 is 26.4% of average load 0.117676 LDB: Average compute 0.001730 is 1.5% of average load 0.117676 LDB: TIME 4302.9 LOAD: AVG 0.117676 MAX 0.177179 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.961 MB LDB: TIME 4302.9 LOAD: AVG 0.117676 MAX 0.177179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: TIME 4302.9 LOAD: AVG 0.117676 MAX 0.177179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.164 MB LDB: ============== END OF LOAD BALANCING =============== 4302.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4302.9 PRESSURE: 1480400 -41.9473 -58.3946 -71.2963 -58.3938 -157.839 -157.705 -71.2963 -157.706 -46.9443 GPRESSURE: 1480400 -44.7062 -92.3157 -126.954 -7.26205 -84.3996 -104.589 -80.6726 -112.99 -26.1856 PRESSAVG: 1480400 54.2236 -21.5325 25.2212 -21.5325 -34.6532 40.9745 25.2212 40.9743 -28.0939 GPRESSAVG: 1480400 52.1881 -20.8799 24.2323 -20.2534 -33.1345 40.848 26.1551 41.6159 -27.847 TIMING: 1480400 CPU: 4299.73, 0.00295165/step Wall: 4299.73, 0.00295165/step, 2.88573 hours remaining, 206.355469 MB of memory in use. ENERGY: 1480400 751.4958 2111.5938 1965.8169 112.5583 -205825.8997 17726.0278 0.0000 0.0000 34005.1339 -149153.2732 296.9753 -183158.4071 -149057.3137 298.2156 -82.2434 -51.7638 558841.6376 -2.8412 -2.9311 PRESSURE: 1480600 380.612 -8.37972 -3.58658 -8.37907 105.928 298.339 -3.58762 298.338 -165.926 GPRESSURE: 1480600 372.106 11.6325 54.8668 -19.8881 140.196 258.422 -51.5871 224.126 -100.145 PRESSAVG: 1480600 58.1001 -75.2291 18.0472 -75.2291 29.3376 13.9594 18.0473 13.9594 -13.8656 GPRESSAVG: 1480600 59.4298 -74.2102 19.0119 -76.8081 27.4386 11.564 15.8309 15.0212 -13.9301 TIMING: 1480600 CPU: 4300.3, 0.0028747/step Wall: 4300.3, 0.00287471/step, 2.81034 hours remaining, 207.031250 MB of memory in use. ENERGY: 1480600 735.9917 2090.1974 1929.0908 114.2819 -206384.1396 18009.5661 0.0000 0.0000 34406.9012 -149098.1104 300.4840 -183505.0116 -149004.3960 298.4366 106.8710 137.3858 558284.7361 24.5240 24.3128 PRESSURE: 1480800 -70.3095 227.657 128.391 227.656 101.163 -37.4458 128.39 -37.4477 -242.276 GPRESSURE: 1480800 -51.7966 132.478 102.304 350.546 121.034 -10.4504 36.9132 -36.9121 -194.426 PRESSAVG: 1480800 -3.57597 31.0272 -21.6904 31.0271 25.8507 6.68554 -21.6904 6.68542 -36.0705 GPRESSAVG: 1480800 -4.21026 29.9127 -25.2045 32.267 25.1043 7.37731 -17.7886 7.39053 -35.143 TIMING: 1480800 CPU: 4300.88, 0.00287772/step Wall: 4300.88, 0.00287772/step, 2.81314 hours remaining, 207.031250 MB of memory in use. ENERGY: 1480800 765.8989 2105.6275 1938.3671 115.0768 -206042.3791 17793.7779 0.0000 0.0000 34257.8394 -149065.7915 299.1822 -183323.6310 -148972.9125 299.2379 -70.4742 -41.7295 559815.8808 -4.5986 -4.7497 PRESSURE: 1481000 -177.958 102.432 -79.6359 102.432 -63.3575 31.7219 -79.6362 31.7214 -124.998 GPRESSURE: 1481000 -129.422 81.1243 19.967 103.841 -70.7744 -37.9078 -33.9106 149.75 -69.6189 PRESSAVG: 1481000 -7.89411 77.158 63.076 77.1579 -8.38479 25.1022 63.0761 25.1022 21.716 GPRESSAVG: 1481000 -7.60505 76.8678 65.3725 77.6817 -8.53811 25.0742 62.4582 24.1887 21.6255 TIMING: 1481000 CPU: 4301.46, 0.00288806/step Wall: 4301.46, 0.00288806/step, 2.82308 hours remaining, 207.031250 MB of memory in use. ENERGY: 1481000 748.2469 2049.9497 1948.1644 111.2556 -205990.8328 17571.1212 0.0000 0.0000 34602.5923 -148959.5026 302.1930 -183562.0950 -148862.7621 299.9122 -122.1043 -89.9385 558225.4923 1.8124 1.8274 PRESSURE: 1481200 -78.1329 -127.417 -58.9852 -127.417 -27.3475 -13.1159 -58.9859 -13.1149 -98.0673 GPRESSURE: 1481200 -7.56006 -101.745 -81.7892 -113.352 3.8902 -28.4262 -143.901 55.1404 -101.58 PRESSAVG: 1481200 -2.49975 24.372 27.9779 24.372 -64.8814 -15.4423 27.9779 -15.4424 65.7809 GPRESSAVG: 1481200 -2.03885 24.3647 28.0894 26.2826 -64.2089 -14.6285 26.7412 -17.1966 64.6032 TIMING: 1481200 CPU: 4302.04, 0.00289166/step Wall: 4302.04, 0.00289166/step, 2.82644 hours remaining, 207.031250 MB of memory in use. ENERGY: 1481200 742.9928 2150.2224 1925.9095 106.6125 -205993.6001 17664.6033 0.0000 0.0000 34336.2187 -149067.0408 299.8667 -183403.2596 -148970.5137 299.9663 -67.8493 -35.0834 558400.7846 -0.5334 -0.5482 PRESSURE: 1481400 111.947 125.78 -40.8712 125.779 -51.2245 158.336 -40.873 158.336 -164.385 GPRESSURE: 1481400 205.943 147.5 24.6819 111.612 -46.001 128.355 -79.9195 198.478 -174.307 PRESSAVG: 1481400 -1.36835 46.9088 -24.0703 46.9088 1.50035 10.7595 -24.0703 10.7594 -29.6792 GPRESSAVG: 1481400 -0.456875 47.2998 -23.5612 45.2188 1.09845 8.90263 -26.1266 12.1189 -30.0973 TIMING: 1481400 CPU: 4302.61, 0.00288573/step Wall: 4302.61, 0.00288573/step, 2.82048 hours remaining, 207.031250 MB of memory in use. ENERGY: 1481400 736.3509 2085.2982 1941.6821 111.3456 -206111.9659 17814.8677 0.0000 0.0000 34304.6789 -149117.7425 299.5913 -183422.4214 -149021.9860 298.9015 -34.5543 -4.7883 558107.7192 -9.8491 -9.8186 PRESSURE: 1481600 -114.602 81.8206 62.4728 81.821 -87.8432 -108.712 62.4717 -108.714 65.7632 GPRESSURE: 1481600 -24.656 68.6081 -10.1672 54.5401 -122.21 -143.852 119.782 -81.0705 111.463 PRESSAVG: 1481600 82.2155 63.3342 -14.8462 63.3344 27.1163 -7.77577 -14.8462 -7.77571 -105.333 GPRESSAVG: 1481600 80.8141 60.931 -16.4088 64.6113 26.7299 -6.67584 -12.4235 -8.90235 -103.534 TIMING: 1481600 CPU: 4303.19, 0.00289179/step Wall: 4303.19, 0.00289179/step, 2.82624 hours remaining, 207.031250 MB of memory in use. ENERGY: 1481600 711.4835 2116.2559 1945.3741 114.4482 -206157.5798 17782.8925 0.0000 0.0000 34189.8065 -149297.3191 298.5881 -183487.1255 -149204.0821 298.7585 -45.5606 -11.8009 559584.8615 1.3329 1.3365 PRESSURE: 1481800 -190.561 92.3563 84.1357 92.3564 103.596 -1.96803 84.1376 -1.96845 -176.272 GPRESSURE: 1481800 -132.165 128.488 188.406 83.5687 123.069 -0.367819 54.3375 -19.1581 -148.428 PRESSAVG: 1481800 2.01782 13.9661 5.48923 13.9661 44.3374 -21.794 5.48936 -21.794 -46.2188 GPRESSAVG: 1481800 1.77674 16.0468 6.90707 13.2956 44.0828 -22.8151 3.85458 -21.3695 -46.2126 TIMING: 1481800 CPU: 4303.77, 0.00291768/step Wall: 4303.77, 0.00291768/step, 2.85138 hours remaining, 207.031250 MB of memory in use. ENERGY: 1481800 724.4164 2097.5965 1961.4777 107.7195 -206190.8849 17665.6992 0.0000 0.0000 34420.4700 -149213.5057 300.6025 -183633.9758 -149118.4663 299.5371 -87.7459 -52.5083 557313.2347 0.0455 -0.1177 PRESSURE: 1482000 -118.05 -57.0804 -93.9269 -57.0798 100.981 166.185 -93.9272 166.185 34.8069 GPRESSURE: 1482000 -92.7586 -10.5933 6.15035 -115.628 58.9952 199.789 -104.797 131.91 151.192 PRESSAVG: 1482000 -38.1042 13.4441 14.4184 13.4441 0.200383 9.23484 14.4183 9.23481 -3.46555 GPRESSAVG: 1482000 -38.9822 12.502 12.1199 12.8622 1.21345 11.7027 15.5536 8.91188 -3.66237 TIMING: 1482000 CPU: 4304.35, 0.00288713/step Wall: 4304.35, 0.00288713/step, 2.82137 hours remaining, 207.031250 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: 1482000 788.0912 2089.2795 1955.0051 116.4030 -206169.5523 17829.6680 0.0000 0.0000 34149.2971 -149241.8084 298.2343 -183391.1055 -149140.1447 300.0137 5.9126 39.1427 558510.7002 -13.7898 -13.8104 PRESSURE: 1482200 -116.913 105.556 -17.878 105.555 122.89 36.5575 -17.8795 36.5572 21.8042 GPRESSURE: 1482200 -73.3531 149.14 -45.7374 32.025 176.168 -37.0067 -11.2248 31.5299 22.9915 PRESSAVG: 1482200 -1.28246 34.1634 0.612188 34.1634 -19.9178 57.6374 0.61218 57.6373 36.0621 GPRESSAVG: 1482200 -0.739865 34.181 0.97641 33.3363 -21.0027 55.3576 0.681542 57.7034 36.7669 TIMING: 1482200 CPU: 4304.93, 0.00287889/step Wall: 4304.93, 0.00287889/step, 2.81316 hours remaining, 207.031250 MB of memory in use. ENERGY: 1482200 744.7135 2107.7967 1958.0562 121.6792 -206119.0015 17905.2706 0.0000 0.0000 34024.7524 -149256.7329 297.1466 -183281.4853 -149161.9102 299.3444 9.2605 41.9353 556792.5453 4.9539 5.0081 PRESSURE: 1482400 -88.7601 108.001 -31.9077 108.001 -93.3616 -67.6031 -31.9081 -67.603 -317.359 GPRESSURE: 1482400 -55.3727 53.4118 -129.637 49.049 -89.5427 -89.9032 50.1826 -89.4198 -261.268 PRESSAVG: 1482400 16.6343 7.58149 63.227 7.58149 -1.08478 45.3814 63.2269 45.3815 -10.788 GPRESSAVG: 1482400 17.271 7.50183 64.3382 9.4675 -1.12846 46.5039 63.638 45.8003 -11.4653 TIMING: 1482400 CPU: 4305.5, 0.00288568/step Wall: 4305.5, 0.00288568/step, 2.81963 hours remaining, 207.031250 MB of memory in use. ENERGY: 1482400 746.0342 2070.9877 1962.1599 114.2276 -206264.1103 17696.7505 0.0000 0.0000 34174.2611 -149499.6894 298.4523 -183673.9505 -149410.4730 298.0747 -166.4936 -135.3945 557643.1722 1.5872 1.5591 PRESSURE: 1482600 -54.0934 -69.9669 -98.9463 -69.9652 80.9376 1.94962 -98.9452 1.94814 -187.116 GPRESSURE: 1482600 -31.6402 -102.255 -31.5404 -84.4127 102.085 -72.0192 -106.632 54.7793 -131.534 PRESSAVG: 1482600 -0.774225 6.50573 22.0399 6.50573 -38.9952 -3.14181 22.0398 -3.14184 23.6826 GPRESSAVG: 1482600 -1.62781 7.45007 21.4598 4.74573 -37.6172 -2.93785 21.3928 -2.90226 23.6511 TIMING: 1482600 CPU: 4306.08, 0.00289633/step Wall: 4306.08, 0.00289633/step, 2.82987 hours remaining, 207.031250 MB of memory in use. ENERGY: 1482600 757.0898 2025.3726 1952.8037 118.4217 -206371.2894 17793.1275 0.0000 0.0000 34123.1285 -149601.3456 298.0058 -183724.4741 -149499.8121 298.4192 -53.4241 -20.3630 556856.1294 -5.3623 -5.1980 PRESSURE: 1482800 -91.0576 47.0864 -302.302 47.0872 -16.676 20.6267 -302.303 20.6258 315.116 GPRESSURE: 1482800 -11.896 23.6184 -257.743 65.2544 3.25492 -32.9362 -364.961 86.6366 316.567 PRESSAVG: 1482800 -106.841 -40.9149 -6.2988 -40.9149 20.2448 61.4919 -6.29864 61.4919 78.0743 GPRESSAVG: 1482800 -106.967 -41.8667 -7.46758 -39.328 20.3597 60.7783 -4.76924 60.0627 78.3192 TIMING: 1482800 CPU: 4306.66, 0.0028847/step Wall: 4306.66, 0.0028847/step, 2.81835 hours remaining, 207.031250 MB of memory in use. ENERGY: 1482800 743.1010 2104.6444 1969.8544 118.7230 -206910.2007 18099.7635 0.0000 0.0000 34302.1064 -149572.0080 299.5688 -183874.1143 -149476.6389 298.0550 69.1276 102.6419 557198.5694 -2.8407 -2.7626 PRESSURE: 1483000 -182.38 6.28284 16.7588 6.2828 -49.995 -143.802 16.7588 -143.801 -151.198 GPRESSURE: 1483000 -149.286 20.0339 -47.3124 32.9154 -42.8521 -103.268 68.5537 -138.055 -118.773 PRESSAVG: 1483000 -99.5215 -6.56012 8.34985 -6.56001 25.9332 -6.92666 8.34982 -6.92672 30.2861 GPRESSAVG: 1483000 -98.9658 -4.13321 10.6999 -6.18047 25.2978 -5.57594 6.54321 -5.0855 30.2865 TIMING: 1483000 CPU: 4307.24, 0.00289105/step Wall: 4307.24, 0.00289105/step, 2.82439 hours remaining, 207.031250 MB of memory in use. ENERGY: 1483000 738.6498 2123.2811 1946.2959 118.3857 -206347.3127 17475.5433 0.0000 0.0000 34235.9655 -149709.1913 298.9912 -183945.1568 -149608.1124 297.5955 -127.8575 -103.6371 557287.1598 -14.4340 -14.4605 PRESSURE: 1483200 -32.2576 38.6656 -57.696 38.6654 -174.112 61.7347 -57.6955 61.7341 35.3583 GPRESSURE: 1483200 0.630108 107.517 -42.9092 20.8582 -131.426 94.2628 -127.871 74.7234 56.9588 PRESSAVG: 1483200 -48.3546 11.7067 -11.3572 11.7066 -7.1477 -50.3951 -11.3572 -50.3952 47.6354 GPRESSAVG: 1483200 -49.8569 11.0102 -10.9529 10.2795 -5.00667 -50.3517 -11.375 -51.3291 46.7664 TIMING: 1483200 CPU: 4307.82, 0.00291585/step Wall: 4307.82, 0.00291585/step, 2.84846 hours remaining, 207.031250 MB of memory in use. ENERGY: 1483200 714.6039 2124.2854 1960.8653 110.6181 -206643.5992 17906.0735 0.0000 0.0000 34188.9309 -149638.2221 298.5804 -183827.1530 -149535.3311 297.8069 -57.0039 -24.6124 557180.1501 -2.6223 -2.6991 PRESSURE: 1483400 -39.1845 131.62 71.4057 131.619 -236.63 -129.683 71.4058 -129.684 -28.5506 GPRESSURE: 1483400 -7.38542 115.048 68.7471 25.8522 -211.742 -128.446 104.399 -169.163 6.90611 PRESSAVG: 1483400 -6.14112 -64.1054 -8.09582 -64.1054 -1.35589 -24.128 -8.09582 -24.1279 11.9996 GPRESSAVG: 1483400 -5.51678 -65.6444 -8.16989 -61.9165 -3.30829 -25.6712 -7.58693 -24.2122 12.5181 TIMING: 1483400 CPU: 4308.41, 0.00291666/step Wall: 4308.41, 0.00291666/step, 2.84909 hours remaining, 207.031250 MB of memory in use. ENERGY: 1483400 749.1094 2109.0319 1978.2390 123.5546 -206440.4806 17760.8659 0.0000 0.0000 34080.7204 -149638.9593 297.6354 -183719.6797 -149551.6074 298.1322 -101.4551 -70.7405 557024.7474 1.5009 1.2310 PRESSURE: 1483600 -92.8505 79.1269 38.0782 79.1267 -196.855 -67.9319 38.0769 -67.9307 -108.97 GPRESSURE: 1483600 -96.5111 127.355 9.79905 62.6098 -171.786 17.1532 32.3669 -114.068 -48.9749 PRESSAVG: 1483600 38.2822 6.38032 -7.28455 6.38039 29.1623 2.3017 -7.28472 2.30167 -33.4917 GPRESSAVG: 1483600 37.8179 8.54619 -9.28862 4.35718 28.9769 3.51866 -4.95743 3.29533 -32.587 TIMING: 1483600 CPU: 4308.99, 0.00290164/step Wall: 4308.99, 0.00290164/step, 2.83426 hours remaining, 207.031250 MB of memory in use. ENERGY: 1483600 750.0092 2102.5584 1937.3258 117.4352 -206628.2888 17869.1381 0.0000 0.0000 34040.8131 -149811.0091 297.2869 -183851.8222 -149711.8519 298.0668 -132.8917 -105.7572 558628.5867 11.3176 11.4026 PRESSURE: 1483800 -271.959 38.0944 -31.8288 38.0946 -259.056 -45.6932 -31.8287 -45.6935 25.5368 GPRESSURE: 1483800 -251.795 -43.4666 1.08693 48.4372 -195.628 -107.487 -22.6703 -10.5916 42.1449 PRESSAVG: 1483800 -58.6758 -58.6872 -1.89623 -58.6872 25.3825 -27.7924 -1.89627 -27.7925 38.0422 GPRESSAVG: 1483800 -56.9712 -60.0948 -1.54559 -58.5186 25.8854 -26.9992 -3.41799 -28.582 36.0486 TIMING: 1483800 CPU: 4309.56, 0.00289282/step Wall: 4309.56, 0.00289282/step, 2.82548 hours remaining, 207.031250 MB of memory in use. ENERGY: 1483800 710.9523 2052.1002 1951.2057 110.7851 -206239.3718 17695.7063 0.0000 0.0000 34002.8072 -149715.8150 296.9550 -183718.6222 -149615.5590 297.1634 -168.4927 -135.0928 558497.8644 1.5830 1.6543 PRESSURE: 1484000 -38.8495 113.6 113.788 113.601 -112.809 -73.2087 113.787 -73.211 -192.58 GPRESSURE: 1484000 10.5903 96.6452 39.7827 154.561 -121.646 -106.816 147.206 -48.1783 -137.958 PRESSAVG: 1484000 33.3306 0.733101 -9.98892 0.733099 -6.46357 34.0185 -9.98899 34.0184 -22.2643 GPRESSAVG: 1484000 31.5022 0.0918548 -8.20375 2.39358 -5.51346 33.1889 -10.6538 33.6922 -21.7959 TIMING: 1484000 CPU: 4310.14, 0.00289715/step Wall: 4310.14, 0.00289715/step, 2.82955 hours remaining, 207.031250 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: 1484000 757.6796 2077.1609 1955.6100 115.5169 -206470.3682 17719.9960 0.0000 0.0000 34096.1467 -149748.2580 297.7701 -183844.4047 -149657.8571 297.4191 -114.7461 -83.0046 557207.1659 1.5342 1.3976 PRESSURE: 1484200 -184.603 -135.744 -46.5901 -135.743 -187.964 31.9334 -46.5917 31.9321 -26.8694 GPRESSURE: 1484200 -131.931 -72.1657 -48.0654 -170.252 -214.664 87.6727 -98.9945 -79.2561 41.9485 PRESSAVG: 1484200 -88.4209 40.1806 -19.4966 40.1807 20.9857 -6.26072 -19.4967 -6.26065 76.4114 GPRESSAVG: 1484200 -86.7988 42.5505 -21.23 39.8772 18.8094 -6.92046 -18.8223 -5.45017 77.0894 TIMING: 1484200 CPU: 4310.72, 0.00289885/step Wall: 4310.72, 0.00289885/step, 2.83105 hours remaining, 207.031250 MB of memory in use. ENERGY: 1484200 728.1188 2111.3078 1943.6439 110.4428 -206201.7242 17566.9620 0.0000 0.0000 34038.1024 -149703.1465 297.2632 -183741.2489 -149600.8726 297.7283 -133.1455 -101.5489 557122.0838 2.9921 3.0334 LDB: ============= START OF LOAD BALANCING ============== 4314.19 LDB: ============== END OF LOAD BALANCING =============== 4314.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4314.19 LDB: ============= START OF LOAD BALANCING ============== 4314.49 LDB: Largest compute 4821 load 0.029857 is 25.4% of average load 0.117704 LDB: Average compute 0.001724 is 1.5% of average load 0.117704 LDB: TIME 4314.49 LOAD: AVG 0.117704 MAX 0.180067 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 4314.49 LOAD: AVG 0.117704 MAX 0.180067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: TIME 4314.49 LOAD: AVG 0.117704 MAX 0.180067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4314.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4314.5 PRESSURE: 1484400 -147.204 215.476 93.1605 215.477 -29.7438 71.5561 93.1603 71.5568 40.8999 GPRESSURE: 1484400 -72.7505 195.99 38.0805 219.158 11.6279 8.5783 113.607 98.7103 33.2271 PRESSAVG: 1484400 -38.6109 14.8071 2.24964 14.807 -5.73095 -12.7098 2.24956 -12.7098 22.7885 GPRESSAVG: 1484400 -38.9373 15.5282 1.80413 14.4298 -5.0625 -12.0305 3.88512 -12.6682 22.2279 TIMING: 1484400 CPU: 4311.32, 0.00299206/step Wall: 4311.32, 0.00299206/step, 2.92192 hours remaining, 203.312500 MB of memory in use. ENERGY: 1484400 733.4872 2116.7406 1945.4056 120.1686 -206864.2935 17913.8632 0.0000 0.0000 34184.2040 -149850.4242 298.5392 -184034.6281 -149752.4956 297.1440 -45.3494 -9.2985 555858.4353 -7.1845 -7.2573 PRESSURE: 1484600 -110.597 -19.9847 25.1331 -19.9846 -20.0607 -76.4162 25.1333 -76.4169 37.3655 GPRESSURE: 1484600 -44.8911 50.8611 17.2353 18.255 -10.8303 -37.3492 -47.8246 -36.4153 63.8533 PRESSAVG: 1484600 -27.4211 50.3589 9.59745 50.3589 -29.1717 16.3726 9.59747 16.3727 69.3438 GPRESSAVG: 1484600 -27.5514 48.5978 8.11116 49.8054 -29.6641 17.0921 9.72026 13.5698 70.4604 TIMING: 1484600 CPU: 4311.91, 0.00292348/step Wall: 4311.91, 0.00292348/step, 2.85478 hours remaining, 203.312500 MB of memory in use. ENERGY: 1484600 753.8606 2097.2250 1949.3683 110.4190 -206747.6579 17854.0300 0.0000 0.0000 34233.4549 -149749.3002 298.9693 -183982.7551 -149651.7955 297.8980 -31.0973 2.7106 556593.9889 4.2503 4.4150 PRESSURE: 1484800 119.56 4.23261 -2.79766 4.23255 22.051 -34.7997 -2.79719 -34.7983 235.259 GPRESSURE: 1484800 168.661 35.9937 -24.662 -29.8457 52.4115 -36.0597 -32.9279 -63.4405 248.836 PRESSAVG: 1484800 -36.2315 -26.5761 29.1417 -26.5761 -4.39673 7.41494 29.1417 7.41498 8.05757 GPRESSAVG: 1484800 -37.1645 -24.7688 31.2102 -27.1258 -3.87606 6.84289 28.1405 8.07289 8.24101 TIMING: 1484800 CPU: 4312.49, 0.00291723/step Wall: 4312.49, 0.00291723/step, 2.84851 hours remaining, 203.312500 MB of memory in use. ENERGY: 1484800 733.2825 2102.4022 1957.1178 111.4932 -207199.8467 18169.3123 0.0000 0.0000 34241.1049 -149885.1339 299.0361 -184126.2388 -149791.9308 297.4536 125.6231 156.6363 555314.0873 -10.8569 -10.9332 PRESSURE: 1485000 -92.5067 112.09 50.904 112.09 134.598 48.4577 50.9032 48.4578 100.286 GPRESSURE: 1485000 -33.0681 62.6853 130.89 72.268 200.349 44.646 -12.3083 26.3243 71.2009 PRESSAVG: 1485000 14.4962 -66.8951 34.5823 -66.8951 -0.369337 -63.0656 34.5824 -63.0656 -38.0672 GPRESSAVG: 1485000 14.9328 -68.578 34.1606 -65.5168 -0.622504 -63.3174 33.7583 -61.9011 -38.2771 TIMING: 1485000 CPU: 4313.07, 0.00292236/step Wall: 4313.07, 0.00292236/step, 2.85336 hours remaining, 203.515625 MB of memory in use. ENERGY: 1485000 721.6242 2087.8925 1938.7982 111.6668 -206460.8804 17793.3594 0.0000 0.0000 33982.8586 -149824.6808 296.7808 -183807.5394 -149729.3013 297.8437 47.4592 79.4939 555020.0371 -7.9801 -7.9889 PRESSURE: 1485200 -148.109 -158.572 -15.3924 -158.573 -15.8735 -68.7595 -15.3922 -68.7599 -411.72 GPRESSURE: 1485200 -140.165 -161.362 -71.7941 -130.796 30.4378 -142.285 33.4883 -67.129 -366.447 PRESSAVG: 1485200 -4.4147 2.90143 11.5186 2.90151 27.4833 -12.6758 11.5186 -12.676 -33.9219 GPRESSAVG: 1485200 -3.01362 3.25501 10.226 2.20224 27.194 -13.0557 12.7991 -12.6615 -34.5971 TIMING: 1485200 CPU: 4313.66, 0.00290764/step Wall: 4313.66, 0.00290764/step, 2.83883 hours remaining, 203.515625 MB of memory in use. ENERGY: 1485200 754.6749 2117.9288 1970.5569 125.8159 -206439.4101 17575.9311 0.0000 0.0000 34182.5002 -149712.0023 298.5243 -183894.5025 -149614.6603 297.7236 -191.9009 -158.7247 555076.2310 -3.6178 -3.4723 PRESSURE: 1485400 -26.3885 -92.7128 28.4027 -92.7146 -264.224 36.4159 28.403 36.4153 -135.825 GPRESSURE: 1485400 -29.2481 -48.5933 123.305 -85.6319 -246.378 10.9029 60.7553 61.7455 -61.6012 PRESSAVG: 1485400 6.66618 -17.0455 39.6671 -17.0455 0.155848 -25.4715 39.6671 -25.4715 -10.1773 GPRESSAVG: 1485400 6.44191 -18.5954 42.7474 -16.3265 -0.234615 -26.1163 38.5853 -24.952 -9.28498 TIMING: 1485400 CPU: 4314.24, 0.00290418/step Wall: 4314.24, 0.00290418/step, 2.83529 hours remaining, 203.515625 MB of memory in use. ENERGY: 1485400 755.5187 2076.7876 1957.7009 113.2439 -206675.4565 17817.6458 0.0000 0.0000 34208.6523 -149745.9073 298.7527 -183954.5595 -149650.6505 297.8697 -142.1458 -112.4092 557467.4445 -1.1184 -1.0259 PRESSURE: 1485600 -207.476 -3.0901 -62.2973 -3.09063 -13.4186 -264.172 -62.2975 -264.175 -190.806 GPRESSURE: 1485600 -153.108 -22.8652 16.2559 -8.16226 29.9066 -246.444 -150.5 -234.493 -193.193 PRESSAVG: 1485600 18.2555 -17.7145 -17.2108 -17.7144 -6.15808 -60.2295 -17.2108 -60.2295 -14.8094 GPRESSAVG: 1485600 18.5991 -17.1848 -17.687 -17.0137 -6.28296 -60.0927 -16.9605 -61.5203 -15.44 TIMING: 1485600 CPU: 4314.82, 0.00289837/step Wall: 4314.82, 0.00289837/step, 2.82946 hours remaining, 203.554688 MB of memory in use. ENERGY: 1485600 719.2075 2112.6052 1960.2877 119.4752 -206017.8058 17447.3362 0.0000 0.0000 34006.1905 -149652.7035 296.9845 -183658.8940 -149563.9598 297.4614 -137.2335 -105.4648 556465.2843 -0.9040 -1.0413 PRESSURE: 1485800 -196.75 109.208 -68.2732 109.206 -58.4609 102.508 -68.2742 102.509 -71.3945 GPRESSURE: 1485800 -190.042 92.0465 -110.133 49.8916 -19.7253 225.223 36.2 84.8318 -32.7372 PRESSAVG: 1485800 6.04953 -5.16096 -9.53544 -5.16096 6.13685 -35.5779 -9.53538 -35.5778 -38.0883 GPRESSAVG: 1485800 6.24667 -5.44271 -7.54862 -7.14227 5.67583 -35.0352 -11.3517 -32.7818 -37.4606 TIMING: 1485800 CPU: 4315.4, 0.00291237/step Wall: 4315.4, 0.00291237/step, 2.84295 hours remaining, 203.554688 MB of memory in use. ENERGY: 1485800 760.4984 2123.9961 1942.3562 106.5792 -205915.3987 17528.3568 0.0000 0.0000 33981.5147 -149472.0973 296.7690 -183453.6121 -149378.9153 297.7512 -108.8683 -80.8347 557897.5955 -8.6340 -8.5127 PRESSURE: 1486000 11.6594 -12.3297 185.23 -12.3312 -7.50179 8.40444 185.23 8.40427 -37.9276 GPRESSURE: 1486000 15.7873 -0.787734 140.537 42.8255 23.7803 -11.7416 165.909 38.7671 27.4418 PRESSAVG: 1486000 19.8796 43.1973 19.0168 43.1972 41.9671 14.9034 19.0168 14.9034 -50.6305 GPRESSAVG: 1486000 18.7588 45.6966 17.525 42.6619 43.8442 14.6609 20.7689 11.6273 -50.8809 TIMING: 1486000 CPU: 4315.98, 0.00290227/step Wall: 4315.98, 0.00290227/step, 2.83294 hours remaining, 203.554688 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: 1486000 724.6342 2109.8371 1942.4256 123.0764 -206406.6247 17730.4234 0.0000 0.0000 34473.8953 -149302.3326 301.0691 -183776.2279 -149206.5503 299.0284 -11.2567 22.3365 556555.6989 3.7387 3.9074 PRESSURE: 1486200 51.5791 -89.877 31.9546 -89.8764 28.3005 -41.1542 31.9565 -41.1544 72.2503 GPRESSURE: 1486200 107.08 -135.036 -6.51459 -73.1426 81.4544 -11.4314 44.5302 -84.1375 54.5101 PRESSAVG: 1486200 24.5646 -45.9099 5.94262 -45.9098 61.6822 -24.6529 5.94264 -24.653 -87.2196 GPRESSAVG: 1486200 24.7179 -48.1408 5.48113 -44.7187 62.4001 -23.2051 4.47572 -24.5192 -88.3274 TIMING: 1486200 CPU: 4316.56, 0.00291132/step Wall: 4316.56, 0.00291132/step, 2.84161 hours remaining, 203.554688 MB of memory in use. ENERGY: 1486200 757.9638 2086.5772 1966.5790 127.3723 -206356.2444 17843.4954 0.0000 0.0000 34341.5562 -149232.7006 299.9134 -183574.2568 -149135.0905 299.9439 50.7100 81.0149 556751.7527 -0.3243 -0.4032 PRESSURE: 1486400 5.60972 -15.1005 25.4525 -15.1007 238.967 -15.2197 25.4527 -15.2196 140.459 GPRESSURE: 1486400 55.5007 -138.405 54.4049 55.9021 222.468 -8.71464 51.1377 -46.3972 207.279 PRESSAVG: 1486400 13.7991 -6.72908 -1.73695 -6.72904 64.3419 13.8828 -1.73689 13.8828 -31.5489 GPRESSAVG: 1486400 14.1867 -5.53049 -0.700324 -7.62693 63.7428 11.1133 -0.550512 16.7443 -31.4849 TIMING: 1486400 CPU: 4317.14, 0.00290073/step Wall: 4317.14, 0.00290073/step, 2.83111 hours remaining, 203.554688 MB of memory in use. ENERGY: 1486400 739.2282 2087.5922 1959.4068 126.6008 -206483.0257 17998.3973 0.0000 0.0000 34256.8084 -149314.9920 299.1732 -183571.8004 -149210.3403 299.5501 128.3453 161.7494 556559.2308 15.5307 15.4816 PRESSURE: 1486600 -52.6724 -86.0023 -224.707 -86.0042 73.6776 212.353 -224.707 212.353 83.145 GPRESSURE: 1486600 -16.9519 -150.104 -270.174 -22.6254 122.689 219.959 -234.959 154.531 86.78 PRESSAVG: 1486600 -30.6424 9.99424 -11.6992 9.99417 74.3867 38.2185 -11.6992 38.2186 -49.7685 GPRESSAVG: 1486600 -31.1633 10.1654 -13.7744 8.96866 75.1753 38.1311 -11.1739 38.6469 -49.7295 TIMING: 1486600 CPU: 4317.72, 0.0028658/step Wall: 4317.72, 0.0028658/step, 2.79686 hours remaining, 203.554688 MB of memory in use. ENERGY: 1486600 768.1472 2038.4518 1944.5431 111.9835 -206142.3066 17748.6785 0.0000 0.0000 34217.4458 -149313.0566 298.8295 -183530.5024 -149213.5396 298.5208 34.7167 64.1725 558324.8910 -2.0081 -1.9058 PRESSURE: 1486800 58.0924 -98.8687 -129.45 -98.8688 -200.613 43.5598 -129.45 43.5606 -18.4642 GPRESSURE: 1486800 85.0596 -121.16 -75.4071 -106.01 -157.983 44.2089 -148.647 21.8231 0.306988 PRESSAVG: 1486800 2.35469 -18.5492 31.1845 -18.5492 -21.0757 42.2372 31.1844 42.2373 7.99341 GPRESSAVG: 1486800 2.3066 -18.8597 33.3659 -17.1685 -21.7668 41.4004 29.5523 41.2994 9.36019 TIMING: 1486800 CPU: 4318.29, 0.00287536/step Wall: 4318.29, 0.00287536/step, 2.80603 hours remaining, 203.554688 MB of memory in use. ENERGY: 1486800 734.9637 2096.6418 1983.9183 124.8098 -205790.6908 17641.9971 0.0000 0.0000 33986.0916 -149222.2686 296.8090 -183208.3602 -149129.5496 298.3936 -53.6616 -24.2054 558227.1276 -3.5759 -3.3667 PRESSURE: 1487000 -242.104 -27.3888 -38.4465 -27.3882 78.3949 -59.6294 -38.4466 -59.6297 -70.2426 GPRESSURE: 1487000 -248.937 6.17702 -20.1982 -42.8772 141.219 -57.8739 -46.626 -58.4948 -40.4144 PRESSAVG: 1487000 46.2747 -6.61099 -50.0138 -6.61106 -12.0136 0.999669 -50.0138 0.999539 24.5214 GPRESSAVG: 1487000 46.5124 -7.03775 -51.6614 -5.7249 -12.4316 3.60947 -49.3477 -0.155074 24.2971 TIMING: 1487000 CPU: 4318.86, 0.00287127/step Wall: 4318.86, 0.00287127/step, 2.80188 hours remaining, 203.554688 MB of memory in use. ENERGY: 1487000 708.1222 2095.0792 1973.2563 107.8237 -205661.1121 17425.2595 0.0000 0.0000 34177.5766 -149173.9946 298.4813 -183351.5712 -149077.7780 299.6539 -77.9841 -49.3775 556397.7220 19.5942 19.4593 PRESSURE: 1487200 6.97256 -110.719 30.9923 -110.72 143.869 -124.316 30.9916 -124.317 106.32 GPRESSURE: 1487200 24.5781 -216.585 -63.6889 -75.2442 159.743 -36.6737 82.9229 -119.738 168.194 PRESSAVG: 1487200 -65.5467 -5.19059 -5.39243 -5.1906 12.8182 -7.04803 -5.39243 -7.04815 46.938 GPRESSAVG: 1487200 -66.0228 -7.46902 -4.4662 -7.17842 12.8229 -7.12824 -2.35592 -7.49919 47.6484 TIMING: 1487200 CPU: 4319.44, 0.00288664/step Wall: 4319.44, 0.00288664/step, 2.81672 hours remaining, 203.554688 MB of memory in use. ENERGY: 1487200 743.2337 2070.0427 1944.6399 111.8049 -206245.4544 17893.6004 0.0000 0.0000 34118.7888 -149363.3441 297.9679 -183482.1329 -149268.1888 298.8880 85.7206 117.5051 556599.7149 -1.9302 -1.8505 PRESSURE: 1487400 126.883 132.243 -146.145 132.244 -233.731 84.2229 -146.145 84.2225 -54.9669 GPRESSURE: 1487400 151.338 167.273 -123.603 99.8486 -209.949 0.336865 -121.938 169.507 -1.50332 PRESSAVG: 1487400 51.2557 -56.7649 -24.7743 -56.7648 -39.681 -17.6784 -24.7743 -17.6784 -11.8669 GPRESSAVG: 1487400 51.1852 -54.9333 -26.7499 -55.7582 -40.1034 -18.126 -23.7779 -16.0091 -11.7741 TIMING: 1487400 CPU: 4320.02, 0.00290603/step Wall: 4320.02, 0.00290603/step, 2.83548 hours remaining, 203.554688 MB of memory in use. ENERGY: 1487400 740.6761 2008.0671 1945.4232 118.0700 -205912.3937 17649.7324 0.0000 0.0000 34237.7336 -149212.6913 299.0066 -183450.4248 -149115.7514 298.9064 -53.9383 -20.0381 558040.7543 -0.0974 -0.2308 PRESSURE: 1487600 -91.6253 134.854 30.8731 134.854 -109.892 -89.9984 30.8715 -89.9983 135.104 GPRESSURE: 1487600 -33.8792 162.039 100.309 77.0004 -112.5 -88.5547 8.7938 -76.6685 184.43 PRESSAVG: 1487600 -9.93866 -13.1885 -33.5843 -13.1884 55.49 3.55754 -33.5843 3.55764 7.13966 GPRESSAVG: 1487600 -9.1108 -14.7795 -30.0221 -14.4241 56.3578 5.12912 -37.1148 2.10382 5.37133 TIMING: 1487600 CPU: 4320.6, 0.00289807/step Wall: 4320.6, 0.00289807/step, 2.82756 hours remaining, 203.554688 MB of memory in use. ENERGY: 1487600 739.9134 2057.7690 1939.5280 116.7308 -206186.9331 17866.4848 0.0000 0.0000 34501.5223 -148964.9848 301.3104 -183466.5071 -148877.2630 300.0932 -22.1379 12.6833 558400.4189 17.5637 17.5394 PRESSURE: 1487800 -228.978 122.415 -120.108 122.415 -204.971 -260.519 -120.109 -260.519 -41.2769 GPRESSURE: 1487800 -213.64 111.37 20.5535 227.994 -124.248 -227.091 -119.853 -370.317 -51.599 PRESSAVG: 1487800 36.6612 27.5698 -76.1201 27.5697 -42.8592 -25.5314 -76.12 -25.5314 -27.159 GPRESSAVG: 1487800 37.1023 31.6698 -77.3099 27.6461 -44.2518 -25.3202 -74.2718 -27.8843 -25.898 TIMING: 1487800 CPU: 4321.18, 0.00289743/step Wall: 4321.18, 0.00289743/step, 2.82677 hours remaining, 203.554688 MB of memory in use. ENERGY: 1487800 740.8946 2127.3706 1967.0015 108.5996 -205506.2148 17426.7611 0.0000 0.0000 34210.3319 -148925.2555 298.7673 -183135.5874 -148826.5324 299.3158 -158.4087 -129.8291 559091.6751 -11.1190 -11.0158 PRESSURE: 1488000 -270.59 -79.4409 -67.8639 -79.4419 -382.294 -140.641 -67.8643 -140.641 -328.897 GPRESSURE: 1488000 -231.885 -106.233 -126.003 -93.2749 -331.764 -106.138 -74.0867 -56.3472 -326.121 PRESSAVG: 1488000 -33.4364 68.7319 -12.9584 68.7319 -50.4232 2.94461 -12.9584 2.94459 75.4913 GPRESSAVG: 1488000 -35.1294 67.6861 -15.0499 68.0577 -48.9153 0.583524 -14.7883 6.29904 75.3271 TIMING: 1488000 CPU: 4321.76, 0.00287259/step Wall: 4321.76, 0.00287259/step, 2.80237 hours remaining, 203.554688 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: 1488000 752.7779 2038.0683 1984.5312 100.0449 -205470.6573 17269.9972 0.0000 0.0000 34364.2478 -148960.9901 300.1115 -183325.2379 -148862.6359 299.7805 -327.2601 -296.5900 558661.6436 -2.7894 -2.9059 PRESSURE: 1488200 -102.21 87.9886 154.219 87.9889 -274.409 72.5391 154.219 72.5388 -217.913 GPRESSURE: 1488200 -74.6993 87.5005 212.463 139.441 -194.456 84.6224 76.4544 68.2426 -239.861 PRESSAVG: 1488200 87.5266 33.6326 16.4865 33.6326 -59.2568 -51.178 16.4866 -51.1782 -24.0939 GPRESSAVG: 1488200 88.4668 31.4749 16.5201 36.1496 -59.5466 -50.2067 18.3656 -50.6466 -24.6585 TIMING: 1488200 CPU: 4322.33, 0.00288977/step Wall: 4322.33, 0.00288977/step, 2.81897 hours remaining, 203.554688 MB of memory in use. ENERGY: 1488200 738.0325 2149.2369 1979.1625 129.5767 -205933.7661 17642.6289 0.0000 0.0000 34560.1454 -148734.9832 301.8223 -183295.1286 -148639.4967 300.5745 -198.1773 -169.6723 558549.1437 1.3920 1.4206 LDB: ============= START OF LOAD BALANCING ============== 4325.8 LDB: ============== END OF LOAD BALANCING =============== 4325.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4325.8 LDB: ============= START OF LOAD BALANCING ============== 4326.09 LDB: Largest compute 4821 load 0.029885 is 25.4% of average load 0.117682 LDB: Average compute 0.001735 is 1.5% of average load 0.117682 LDB: TIME 4326.09 LOAD: AVG 0.117682 MAX 0.175433 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.91 MB LDB: TIME 4326.09 LOAD: AVG 0.117682 MAX 0.175433 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: TIME 4326.09 LOAD: AVG 0.117682 MAX 0.175433 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4326.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4326.1 PRESSURE: 1488400 -53.0829 -158.446 3.30597 -158.447 7.77966 -44.6241 3.30501 -44.6263 -96.795 GPRESSURE: 1488400 -26.9842 -189.001 -21.6158 -214.06 36.8644 -7.61106 -61.9613 -1.35593 -61.6274 PRESSAVG: 1488400 18.1538 37.5417 84.3212 37.5417 -32.8543 65.6133 84.3212 65.6132 60.8439 GPRESSAVG: 1488400 17.5437 36.962 85.6463 35.8195 -32.813 65.3612 82.7215 64.9203 61.3763 TIMING: 1488400 CPU: 4322.93, 0.00295476/step Wall: 4322.93, 0.00295476/step, 2.88221 hours remaining, 205.480469 MB of memory in use. ENERGY: 1488400 734.2825 2077.5708 1974.7550 112.9008 -205736.0949 17715.5348 0.0000 0.0000 34364.9291 -148756.1221 300.1175 -183121.0511 -148655.1731 300.0507 -47.3661 -17.2491 560038.2566 15.3811 15.3690 PRESSURE: 1488600 184.452 88.592 -52.8181 88.5923 130.993 127.019 -52.8166 127.018 194.921 GPRESSURE: 1488600 180.965 49.9044 50.8149 197.893 151.955 182.317 -126.711 53.8847 276.97 PRESSAVG: 1488600 0.102648 11.4357 69.671 11.4357 -66.1757 23.3744 69.671 23.3742 37.3275 GPRESSAVG: 1488600 1.22407 11.5733 69.0363 12.0665 -66.8115 25.5938 70.6601 23.5998 36.4213 TIMING: 1488600 CPU: 4323.5, 0.00288995/step Wall: 4323.5, 0.00288995/step, 2.81883 hours remaining, 205.722656 MB of memory in use. ENERGY: 1488600 752.4629 2139.2023 1961.6001 120.2616 -206603.0460 18159.1383 0.0000 0.0000 34500.0855 -148970.2953 301.2978 -183470.3807 -148880.6981 299.8956 170.1218 203.2970 557236.0377 -9.5818 -9.7221 PRESSURE: 1488800 -162.457 -143.404 267.028 -143.404 6.60889 -159.801 267.027 -159.8 17.2219 GPRESSURE: 1488800 -95.453 -140.82 238.129 -112.763 0.827387 -236.945 182.136 -167.804 39.7305 PRESSAVG: 1488800 17.519 54.5752 34.8285 54.5752 -33.7532 -28.6805 34.8285 -28.6805 33.4202 GPRESSAVG: 1488800 17.4118 55.3734 34.9496 55.4622 -33.0791 -29.846 34.2831 -29.0222 32.7773 TIMING: 1488800 CPU: 4324.08, 0.00289878/step Wall: 4324.08, 0.00289878/step, 2.82728 hours remaining, 205.867188 MB of memory in use. ENERGY: 1488800 801.3706 2095.2908 1951.3879 114.3533 -206206.4034 17891.3503 0.0000 0.0000 34310.8152 -149041.8353 299.6449 -183352.6505 -148942.2695 299.7051 -46.2086 -18.2984 559230.4632 5.7286 5.7034 PRESSURE: 1489000 137.623 -32.6773 5.11528 -32.6775 -254.652 -118.286 5.11547 -118.285 23.3726 GPRESSURE: 1489000 120.637 -42.0169 44.0454 5.41413 -166.582 -128.795 -53.525 -112.696 34.5718 PRESSAVG: 1489000 18.2368 42.2182 90.7125 42.2182 -53.2868 -17.9112 90.7125 -17.9112 -21.5257 GPRESSAVG: 1489000 17.8963 40.8634 88.4879 42.5452 -54.294 -19.5619 92.0657 -16.5151 -20.6939 TIMING: 1489000 CPU: 4324.66, 0.00288378/step Wall: 4324.66, 0.00288378/step, 2.81248 hours remaining, 205.867188 MB of memory in use. ENERGY: 1489000 721.8711 2059.3078 1980.3245 119.4515 -206044.2276 17764.0944 0.0000 0.0000 34335.2203 -149063.9580 299.8580 -183399.1783 -148968.2042 298.8099 -31.2191 -3.7912 559100.9367 -18.8586 -19.0305 PRESSURE: 1489200 -224.556 -65.1928 -14.9435 -65.1925 -199.59 35.9475 -14.9442 35.9489 -99.2002 GPRESSURE: 1489200 -220.038 -171.529 -68.0191 23.9491 -140.461 45.1313 -32.8038 43.1513 -64.9592 PRESSAVG: 1489200 35.9873 -0.763769 -12.4628 -0.763679 -2.23227 59.6986 -12.4628 59.6986 -29.1841 GPRESSAVG: 1489200 36.1303 0.166855 -8.9703 -2.16889 -2.30174 61.3443 -13.9635 57.7676 -29.5704 TIMING: 1489200 CPU: 4325.24, 0.00289536/step Wall: 4325.24, 0.00289536/step, 2.82362 hours remaining, 205.867188 MB of memory in use. ENERGY: 1489200 794.5879 2063.2456 1955.9095 105.6355 -206016.6515 17695.8482 0.0000 0.0000 34264.5164 -149136.9083 299.2405 -183401.4247 -149038.2565 299.5264 -174.4487 -141.8193 558842.6810 1.5237 1.4194 PRESSURE: 1489400 -243.452 -84.3861 -39.2921 -84.3856 -310.13 -57.9893 -39.2924 -57.9908 -245.574 GPRESSURE: 1489400 -234.844 -102.958 -31.5922 -91.5945 -228.982 -22.5186 -33.1268 -31.2627 -242.125 PRESSAVG: 1489400 37.1947 17.6431 -5.21512 17.643 0.809841 -11.0707 -5.2151 -11.0708 -10.9443 GPRESSAVG: 1489400 36.5526 19.5874 -5.42032 15.0581 0.993813 -13.4031 -4.58003 -8.93925 -10.8462 TIMING: 1489400 CPU: 4325.82, 0.0029154/step Wall: 4325.82, 0.0029154/step, 2.843 hours remaining, 205.867188 MB of memory in use. ENERGY: 1489400 725.3344 2093.2172 1949.8335 102.3204 -205658.8169 17447.3666 0.0000 0.0000 34084.8503 -149255.8944 297.6715 -183340.7447 -149163.9595 299.1510 -266.3852 -235.3170 559378.7147 9.0201 8.9001 PRESSURE: 1489600 -273.403 259.74 -78.8694 259.739 -195.948 -10.283 -78.8692 -10.2816 -122.351 GPRESSURE: 1489600 -257.886 307.324 -74.9205 221.519 -176.196 -43.5374 -120.951 -34.2317 -73.8511 PRESSAVG: 1489600 83.4467 -26.6449 -26.7804 -26.6447 -44.7913 -32.1929 -26.7804 -32.1929 -7.80104 GPRESSAVG: 1489600 83.3463 -26.8652 -28.2137 -25.6366 -44.5981 -31.1017 -27.5979 -32.9009 -8.5364 TIMING: 1489600 CPU: 4326.41, 0.00292452/step Wall: 4326.41, 0.00292452/step, 2.85174 hours remaining, 205.867188 MB of memory in use. ENERGY: 1489600 727.8455 2044.2255 1958.1510 113.7531 -205833.4350 17496.9428 0.0000 0.0000 34167.2453 -149325.2719 298.3911 -183492.5172 -149232.3062 298.4482 -197.2341 -169.3110 559750.8039 10.2848 10.0706 PRESSURE: 1489800 -288.859 78.6363 -46.8557 78.6359 -114.51 -29.875 -46.8558 -29.875 -291.687 GPRESSURE: 1489800 -268.507 44.9049 1.95621 110.129 -67.1483 45.2719 -53.9354 -67.1919 -271.579 PRESSAVG: 1489800 67.7727 21.3954 26.15 21.3953 3.78782 0.304885 26.1499 0.304953 -39.3795 GPRESSAVG: 1489800 68.2828 20.0122 29.3152 23.4889 3.30694 -1.26207 26.8527 0.668926 -39.5438 TIMING: 1489800 CPU: 4326.99, 0.00293144/step Wall: 4326.99, 0.00293144/step, 2.85832 hours remaining, 205.867188 MB of memory in use. ENERGY: 1489800 774.9680 2139.8382 1955.4079 115.8013 -206331.6531 17620.2479 0.0000 0.0000 34287.1172 -149438.2726 299.4379 -183725.3898 -149340.6141 298.0568 -231.6856 -202.4114 557720.2790 10.7270 10.6820 PRESSURE: 1490000 47.6513 158.942 97.4739 158.942 171.628 24.7265 97.4745 24.7253 -208.956 GPRESSURE: 1490000 83.5532 111.891 77.3101 132.388 162.961 20.9422 86.2613 34.3728 -154.731 PRESSAVG: 1490000 -39.133 49.6499 18.9193 49.6499 46.7976 -64.3995 18.9194 -64.3994 -10.803 GPRESSAVG: 1490000 -39.3121 49.4705 17.6138 48.6064 46.3037 -62.6372 18.7895 -65.45 -10.2752 TIMING: 1490000 CPU: 4327.57, 0.00289384/step Wall: 4327.57, 0.00289384/step, 2.8215 hours remaining, 205.867188 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: 1490000 743.2908 2113.1284 1954.8638 116.4868 -206053.3543 17687.7042 0.0000 0.0000 34155.9264 -149281.9538 298.2922 -183437.8802 -149191.5444 299.0798 3.4411 30.5945 557785.8230 -1.0461 -1.0945 PRESSURE: 1490200 207.302 -27.9231 96.1893 -27.9235 -247.757 2.81209 96.1879 2.81451 -10.9319 GPRESSURE: 1490200 277.638 -10.3049 102.843 58.0455 -228.293 -80.9131 83.4995 19.4711 -2.65632 PRESSAVG: 1490200 59.2698 19.6823 28.726 19.6823 -4.88874 -72.0268 28.7261 -72.0268 -45.5784 GPRESSAVG: 1490200 59.68 20.8019 28.9713 19.5611 -4.48602 -71.0484 29.2621 -73.1869 -46.27 TIMING: 1490200 CPU: 4328.15, 0.00290746/step Wall: 4328.15, 0.00290746/step, 2.83461 hours remaining, 205.867188 MB of memory in use. ENERGY: 1490200 739.9798 2065.6889 1961.7247 117.4791 -206345.5692 17857.5150 0.0000 0.0000 34379.4282 -149223.7535 300.2441 -183603.1817 -149140.6252 299.4030 -17.1293 15.5630 557234.8099 2.9342 2.9746 PRESSURE: 1490400 104.913 27.0546 101.394 27.0537 122.332 72.9533 101.394 72.9519 -138.303 GPRESSURE: 1490400 137.099 -40.8175 75.4366 13.4436 119.954 46.8272 189.4 63.2866 -79.8815 PRESSAVG: 1490400 24.9209 34.6806 66.7501 34.6806 -12.2223 -42.0875 66.7502 -42.0875 16.4435 GPRESSAVG: 1490400 23.8183 35.0541 64.9023 33.2817 -11.6491 -43.5307 68.2326 -41.5076 17.2331 TIMING: 1490400 CPU: 4328.74, 0.00291707/step Wall: 4328.74, 0.00291707/step, 2.84382 hours remaining, 205.867188 MB of memory in use. ENERGY: 1490400 746.4101 2086.7144 1962.8572 116.3701 -206054.3028 17808.4573 0.0000 0.0000 34167.7784 -149165.7154 298.3957 -183333.4939 -149077.7447 298.9630 29.6472 59.0571 556936.4876 9.7141 9.8008 PRESSURE: 1490600 189.333 -108.203 1.21686 -108.203 368.168 45.3589 1.21712 45.3584 123.049 GPRESSURE: 1490600 191.602 -112.653 -18.9569 -104.355 407.853 -32.6167 -27.7099 27.9506 181.477 PRESSAVG: 1490600 28.8435 43.1165 3.22759 43.1165 11.0215 -54.7643 3.22762 -54.7643 -5.60294 GPRESSAVG: 1490600 29.2456 42.634 4.06053 43.7702 10.5285 -53.2162 1.66438 -54.7701 -5.60276 TIMING: 1490600 CPU: 4329.32, 0.00289223/step Wall: 4329.32, 0.00289223/step, 2.81945 hours remaining, 205.867188 MB of memory in use. ENERGY: 1490600 733.2389 2093.2422 1952.3855 120.3049 -206459.4880 18072.2070 0.0000 0.0000 34321.5758 -149166.5337 299.7389 -183488.1095 -149074.5596 299.0852 226.8497 260.3111 555621.3028 11.4207 11.3905 PRESSURE: 1490800 174.898 113.079 50.9938 113.078 19.091 -1.86849 50.9923 -1.86893 -38.0318 GPRESSURE: 1490800 188.181 112.384 109.694 161.688 69.9795 43.4089 38.5767 -27.4938 -15.4246 PRESSAVG: 1490800 -35.782 31.9307 26.6571 31.9307 -26.1112 -4.06762 26.6571 -4.06764 48.8406 GPRESSAVG: 1490800 -37.2568 32.8513 27.2443 31.8311 -24.8602 -4.7195 27.2111 -4.72016 48.8754 TIMING: 1490800 CPU: 4329.9, 0.00291241/step Wall: 4329.9, 0.00291241/step, 2.83896 hours remaining, 205.867188 MB of memory in use. ENERGY: 1490800 733.9221 2095.9481 1941.3066 120.3220 -206112.8338 17762.7914 0.0000 0.0000 34345.8392 -149112.7046 299.9508 -183458.5438 -149019.2334 299.1345 51.9858 80.9119 556718.2538 -4.3509 -4.4138 PRESSURE: 1491000 15.3343 -54.0841 123.595 -54.0828 -244.955 -22.8289 123.595 -22.8292 -138.681 GPRESSURE: 1491000 59.5853 -61.2124 189.611 -37.1522 -202.995 -104.59 72.544 24.9751 -125.239 PRESSAVG: 1491000 -87.9177 -0.833498 7.26568 -0.833523 21.7439 -8.97382 7.26563 -8.97386 25.4501 GPRESSAVG: 1491000 -86.5569 -1.89022 6.78138 0.797786 20.8472 -11.6727 8.59311 -5.99269 25.3058 TIMING: 1491000 CPU: 4330.48, 0.00289747/step Wall: 4330.48, 0.00289747/step, 2.82423 hours remaining, 206.066406 MB of memory in use. ENERGY: 1491000 752.9268 2069.8319 1969.3363 116.0116 -206346.1491 17789.8064 0.0000 0.0000 34459.1605 -149189.0756 300.9404 -183648.2361 -149095.2618 299.4891 -122.7672 -89.5495 556268.3480 -13.5746 -13.4680 PRESSURE: 1491200 108.814 -88.2721 104.666 -88.2706 -127.457 9.79574 104.666 9.79504 -78.4309 GPRESSURE: 1491200 116.897 -123.711 -8.98922 -65.3942 -106.171 -8.05894 99.3073 90.3456 -0.851357 PRESSAVG: 1491200 -4.59197 -3.42386 4.76147 -3.42375 -54.5337 -15.3136 4.76146 -15.3137 37.7006 GPRESSAVG: 1491200 -5.34494 -4.49151 4.99977 -4.2047 -54.4238 -12.7591 3.07921 -19.1487 38.1122 TIMING: 1491200 CPU: 4331.06, 0.00291367/step Wall: 4331.06, 0.00291367/step, 2.83986 hours remaining, 206.066406 MB of memory in use. ENERGY: 1491200 775.0925 2084.9791 1954.5606 127.4410 -206232.0894 17735.6034 0.0000 0.0000 34324.2005 -149230.2124 299.7618 -183554.4129 -149129.1741 299.7913 -32.3578 3.2917 555755.7050 -7.1417 -7.2189 PRESSURE: 1491400 -32.9724 -38.4315 19.3189 -38.4313 6.22546 -3.60392 19.3182 -3.60393 -8.97102 GPRESSURE: 1491400 26.9345 -50.8756 119.909 -19.354 26.5407 -18.7828 -60.8844 9.41703 3.5462 PRESSAVG: 1491400 29.0486 7.38274 12.9373 7.38291 -30.1624 38.6342 12.9373 38.6342 39.3691 GPRESSAVG: 1491400 29.2418 9.73771 13.5428 6.26531 -30.6624 38.0333 13.3112 39.8199 39.299 TIMING: 1491400 CPU: 4331.64, 0.00288613/step Wall: 4331.64, 0.00288613/step, 2.81286 hours remaining, 206.066406 MB of memory in use. ENERGY: 1491400 740.7297 2034.5242 1940.1913 106.9550 -206600.0374 17834.7494 0.0000 0.0000 34527.9520 -149414.9358 301.5412 -183942.8878 -149318.2347 299.4648 -11.9060 19.0071 556213.7724 12.7518 12.6262 PRESSURE: 1491600 427.953 85.6187 -20.279 85.6187 256.927 15.2339 -20.2787 15.2346 -124.419 GPRESSURE: 1491600 451.26 91.9966 28.8964 56.8474 294.717 -40.7197 -79.2478 42.8178 -74.1491 PRESSAVG: 1491600 7.92667 73.2047 41.2755 73.2046 -7.09511 -20.9618 41.2756 -20.9619 -8.93468 GPRESSAVG: 1491600 9.33033 71.0764 41.0392 75.4508 -7.56573 -21.0994 41.2119 -19.8265 -9.77794 TIMING: 1491600 CPU: 4332.21, 0.00288458/step Wall: 4332.21, 0.00288458/step, 2.81118 hours remaining, 206.066406 MB of memory in use. ENERGY: 1491600 704.5987 2107.1790 1952.9698 102.8690 -206669.5511 18220.2425 0.0000 0.0000 34230.5264 -149351.1659 298.9437 -183581.6922 -149248.1027 299.1887 186.8202 223.9425 556174.1135 -2.7010 -2.6711 PRESSURE: 1491800 -49.414 77.7614 -103.103 77.762 -442.558 0.599742 -103.102 0.600907 -19.1193 GPRESSURE: 1491800 11.3951 87.0585 -69.2317 54.5036 -464.754 37.4451 -55.526 -41.0074 24.2386 PRESSAVG: 1491800 45.8127 66.2319 -6.71362 66.232 -49.2035 -15.1874 -6.71363 -15.1874 30.1846 GPRESSAVG: 1491800 45.4169 69.4916 -7.92725 65.5968 -49.304 -14.8301 -6.76462 -15.8248 30.0912 TIMING: 1491800 CPU: 4332.79, 0.00288909/step Wall: 4332.79, 0.00288909/step, 2.81542 hours remaining, 206.066406 MB of memory in use. ENERGY: 1491800 749.4223 2113.3722 1924.9956 111.6398 -205801.9635 17416.6583 0.0000 0.0000 34265.2335 -149220.6419 299.2468 -183485.8754 -149123.5080 298.8709 -170.3636 -143.0401 557663.2541 8.9313 8.7347 PRESSURE: 1492000 -30.1471 -113.223 -13.6301 -113.224 4.11327 103.778 -13.6285 103.779 93.0352 GPRESSURE: 1492000 4.42933 -74.8525 -93.1354 -77.1257 50.3697 116.308 18.4372 128.799 108.297 PRESSAVG: 1492000 -35.8259 -13.7061 -18.0504 -13.706 -6.20556 36.8134 -18.0505 36.8133 51.5503 GPRESSAVG: 1492000 -36.1876 -12.1462 -16.6869 -14.8405 -4.40569 35.6764 -17.0731 35.0431 50.283 TIMING: 1492000 CPU: 4333.37, 0.00290058/step Wall: 4333.37, 0.00290058/step, 2.82646 hours remaining, 206.066406 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: 1492000 747.5514 2106.8048 1934.3997 117.3923 -206304.7384 17806.8925 0.0000 0.0000 34353.9689 -149237.7286 300.0218 -183591.6975 -149147.7968 299.6413 22.3338 54.3653 554848.7896 3.1730 3.2299 PRESSURE: 1492200 -143.682 -56.3566 -93.5402 -56.3554 -145.178 236.386 -93.5426 236.387 -225.181 GPRESSURE: 1492200 -116.465 -35.6882 -107.878 -60.4276 -111.595 275.775 -19.4332 198.817 -202.454 PRESSAVG: 1492200 -43.8904 -14.8811 -69.4034 -14.8809 -7.15868 -6.01585 -69.4033 -6.01586 15.204 GPRESSAVG: 1492200 -43.3482 -18.7583 -69.6952 -13.5172 -8.30768 -4.59754 -68.9396 -5.00675 16.0432 TIMING: 1492200 CPU: 4333.95, 0.00287741/step Wall: 4333.95, 0.00287741/step, 2.80372 hours remaining, 206.066406 MB of memory in use. ENERGY: 1492200 767.4689 2044.5469 1952.0667 111.0146 -205900.4742 17540.9828 0.0000 0.0000 34333.7974 -149150.5970 299.8456 -183484.3944 -149050.9919 299.7812 -171.3473 -143.5049 558915.2470 -11.9484 -11.8709 LDB: ============= START OF LOAD BALANCING ============== 4337.41 LDB: ============== END OF LOAD BALANCING =============== 4337.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4337.42 LDB: ============= START OF LOAD BALANCING ============== 4337.71 LDB: Largest compute 4821 load 0.028820 is 24.5% of average load 0.117731 LDB: Average compute 0.001732 is 1.5% of average load 0.117731 LDB: TIME 4337.71 LOAD: AVG 0.117731 MAX 0.177999 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.105 MB LDB: TIME 4337.71 LOAD: AVG 0.117731 MAX 0.177999 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.199 MB LDB: TIME 4337.71 LOAD: AVG 0.117731 MAX 0.177999 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.199 MB LDB: ============== END OF LOAD BALANCING =============== 4337.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4337.71 PRESSURE: 1492400 370.806 -47.9428 -39.5856 -47.9426 137.839 -3.37418 -39.5865 -3.37501 160.252 GPRESSURE: 1492400 400.147 -123.801 -42.0562 31.6151 180.982 -18.3415 -36.6515 59.1297 180.392 PRESSAVG: 1492400 14.5612 19.0968 -37.5828 19.0968 3.16416 10.9236 -37.5827 10.9236 1.93787 GPRESSAVG: 1492400 13.8496 17.2992 -38.3029 20.5151 3.1616 11.4363 -39.4187 9.65214 2.85997 TIMING: 1492400 CPU: 4334.54, 0.00295751/step Wall: 4334.54, 0.00295751/step, 2.8816 hours remaining, 204.015625 MB of memory in use. ENERGY: 1492400 734.0196 2024.8563 1959.8944 116.9834 -206699.2745 18275.0683 0.0000 0.0000 34421.0345 -149167.4180 300.6075 -183588.4525 -149066.7175 299.7285 222.9657 253.8403 557492.3100 6.5544 6.6237 PRESSURE: 1492600 -197.227 150.961 66.4317 150.961 -180.457 237.349 66.4303 237.348 61.7581 GPRESSURE: 1492600 -184.36 50.6521 51.0351 173.61 -56.5987 136.21 64.0971 215.17 15.4192 PRESSAVG: 1492600 57.0905 -6.14381 -43.0246 -6.14386 34.8596 74.4841 -43.0247 74.4841 -67.5287 GPRESSAVG: 1492600 57.5325 -3.7401 -41.3228 -7.47073 34.9273 73.4939 -43.151 75.3321 -67.6904 TIMING: 1492600 CPU: 4335.12, 0.00288723/step Wall: 4335.12, 0.00288723/step, 2.81296 hours remaining, 204.218750 MB of memory in use. ENERGY: 1492600 734.7048 2082.1809 1933.4705 119.0260 -206176.8056 17655.8618 0.0000 0.0000 34495.4425 -149156.1192 301.2573 -183651.5616 -149058.1948 299.8194 -105.3087 -75.1800 557711.4473 8.1404 8.2565 PRESSURE: 1492800 -98.8216 -100.253 -111.001 -100.254 -162.529 -21.8795 -111.001 -21.8798 -411.75 GPRESSURE: 1492800 -97.3568 -126.285 -83.0402 -98.5185 -107.344 -62.3038 -113.532 -23.0102 -360.793 PRESSAVG: 1492800 12.6631 1.66948 -22.4515 1.66942 44.8582 18.8405 -22.4515 18.8405 -68.6996 GPRESSAVG: 1492800 12.248 2.56439 -25.8039 0.453909 45.3449 17.0856 -21.1667 19.5505 -69.3306 TIMING: 1492800 CPU: 4335.69, 0.00288114/step Wall: 4335.69, 0.00288114/step, 2.80687 hours remaining, 204.218750 MB of memory in use. ENERGY: 1492800 740.3694 2102.6446 1929.8617 115.9716 -205941.1801 17427.2800 0.0000 0.0000 34537.1371 -149087.9158 301.6214 -183625.0529 -148988.6262 299.7601 -224.3668 -188.4980 558178.7296 -3.7261 -3.9126 PRESSURE: 1493000 91.4514 71.4451 -102.639 71.4451 38.0798 95.3466 -102.641 95.3464 348.318 GPRESSURE: 1493000 61.7537 130.133 -75.8764 176.054 98.9452 161.008 -129.872 55.3589 391.031 PRESSAVG: 1493000 1.4242 -18.319 -40.2747 -18.3189 -4.99741 -68.9523 -40.2747 -68.9523 -53.0854 GPRESSAVG: 1493000 0.534025 -18.6238 -39.1805 -16.37 -4.002 -69.53 -39.2902 -67.6991 -53.0961 TIMING: 1493000 CPU: 4336.27, 0.00290839/step Wall: 4336.27, 0.00290839/step, 2.83326 hours remaining, 204.218750 MB of memory in use. ENERGY: 1493000 750.2609 2104.3683 1966.2606 127.4696 -206417.5335 18067.8294 0.0000 0.0000 34427.9371 -148973.4076 300.6677 -183401.3447 -148886.5676 300.1408 159.2831 183.9101 555985.8685 -18.8862 -18.8547 PRESSURE: 1493200 -83.7146 98.0663 58.8272 98.0645 -92.2291 -6.30171 58.8252 -6.30167 -177.775 GPRESSURE: 1493200 -17.9661 54.483 41.3987 139.63 -134.839 -48.3063 44.36 82.4555 -101.451 PRESSAVG: 1493200 -67.5341 -22.3839 72.0955 -22.3839 58.251 -16.8004 72.0955 -16.8004 -1.35029 GPRESSAVG: 1493200 -67.0192 -23.362 73.6947 -22.2124 58.0788 -14.7165 72.5918 -18.61 -1.08617 TIMING: 1493200 CPU: 4336.85, 0.00288282/step Wall: 4336.85, 0.00288282/step, 2.80819 hours remaining, 204.218750 MB of memory in use. ENERGY: 1493200 744.9632 2102.2463 1971.7279 113.4019 -205880.3710 17616.5197 0.0000 0.0000 34334.4744 -148997.0377 299.8515 -183331.5121 -148902.2853 300.2825 -117.9061 -84.7520 557141.5746 -3.5445 -3.3422 PRESSURE: 1493400 -60.5574 -58.3506 -11.5287 -58.3503 134.701 -162.943 -11.529 -162.943 278.774 GPRESSURE: 1493400 -30.3054 -91.5401 -94.3537 -3.94648 227.311 -150.795 1.34401 -120.561 245.039 PRESSAVG: 1493400 0.811874 25.0929 32.8124 25.0929 26.0979 -26.2514 32.8124 -26.2514 4.68087 GPRESSAVG: 1493400 1.55773 23.839 31.3755 24.5274 24.3967 -28.8812 31.8603 -24.3113 5.53945 TIMING: 1493400 CPU: 4337.43, 0.00289375/step Wall: 4337.43, 0.00289375/step, 2.81868 hours remaining, 204.218750 MB of memory in use. ENERGY: 1493400 698.6166 2109.2982 1964.4846 109.5752 -205918.8880 17719.3267 0.0000 0.0000 34350.2843 -148967.3025 299.9896 -183317.5868 -148869.2968 300.6352 117.6391 147.3481 555745.6798 10.5302 10.4979 PRESSURE: 1493600 87.1226 245.701 -52.0529 245.7 -12.2219 49.2612 -52.0532 49.2614 114.425 GPRESSURE: 1493600 101.071 278.946 -145.27 275.495 -34.9023 31.0647 -59.8642 10.4127 213.16 PRESSAVG: 1493600 65.7031 96.1407 -19.5211 96.1407 19.2182 18.5398 -19.5211 18.5398 -37.9446 GPRESSAVG: 1493600 65.4294 97.8286 -18.9231 95.9689 21.0477 19.798 -20.3354 17.448 -39.1996 TIMING: 1493600 CPU: 4338.01, 0.00289516/step Wall: 4338.01, 0.00289516/step, 2.81989 hours remaining, 204.218750 MB of memory in use. ENERGY: 1493600 759.8962 2086.6605 1974.1140 110.3722 -206192.4797 17818.2120 0.0000 0.0000 34435.0760 -149008.1489 300.7301 -183443.2249 -148912.7718 300.1168 63.1084 93.1094 555537.0787 15.6589 15.7592 PRESSURE: 1493800 356.636 104.196 72.2441 104.197 -35.8327 -99.0112 72.2452 -99.0109 -215.049 GPRESSURE: 1493800 409.537 133.157 134.474 32.1008 -47.5932 -73.2186 122.19 -143.064 -163.293 PRESSAVG: 1493800 -2.69259 55.4269 55.9172 55.4269 -39.2649 -3.91516 55.9171 -3.91511 49.2764 GPRESSAVG: 1493800 -1.97072 54.2066 56.8048 56.0194 -40.7274 -3.7684 55.8599 -4.18058 49.8258 TIMING: 1493800 CPU: 4338.59, 0.00289592/step Wall: 4338.59, 0.00289592/step, 2.82046 hours remaining, 204.218750 MB of memory in use. ENERGY: 1493800 699.0635 2087.1668 1948.9818 111.7056 -205859.9301 17702.4200 0.0000 0.0000 34314.8707 -148995.7217 299.6803 -183310.5924 -148900.4583 299.7287 35.2513 66.2171 557869.9071 2.4396 2.3759 PRESSURE: 1494000 92.7579 68.0199 120.881 68.0187 159.102 41.0029 120.881 41.0022 -223.069 GPRESSURE: 1494000 117.813 -22.9634 117.145 128.042 195.5 -1.49642 46.1034 96.3436 -194.424 PRESSAVG: 1494000 -18.1564 -8.71478 26.7349 -8.71481 74.8884 -21.1966 26.7349 -21.1967 -33.5992 GPRESSAVG: 1494000 -19.547 -7.98906 25.6991 -10.035 76.9991 -21.3815 25.5745 -21.6483 -34.4341 TIMING: 1494000 CPU: 4339.17, 0.00290094/step Wall: 4339.17, 0.00290094/step, 2.82519 hours remaining, 204.218750 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: 1494000 710.2389 2112.0197 1935.6083 113.4870 -205790.3606 17790.2387 0.0000 0.0000 34230.3401 -148898.4279 298.9421 -183128.7680 -148804.6204 299.8210 9.5969 39.6297 557199.4922 7.7109 7.6727 PRESSURE: 1494200 31.1209 145.054 -161.499 145.053 19.442 62.8619 -161.499 62.8617 -6.34264 GPRESSURE: 1494200 70.6366 200.308 -97.6531 107.889 19.0752 74.6809 -80.0839 -8.32491 56.4658 PRESSAVG: 1494200 8.64802 54.8717 32.7329 54.8717 -6.24737 46.7553 32.7329 46.7554 -9.07113 GPRESSAVG: 1494200 8.75148 55.1987 32.2506 54.2965 -7.04265 45.3496 35.965 47.1007 -8.02465 TIMING: 1494200 CPU: 4339.74, 0.00288272/step Wall: 4339.74, 0.00288272/step, 2.80728 hours remaining, 204.218750 MB of memory in use. ENERGY: 1494200 720.9180 2057.5927 1962.3927 113.5748 -205870.5217 17753.1639 0.0000 0.0000 34274.0876 -148988.7919 299.3241 -183262.8795 -148897.6605 299.8264 14.7401 48.7259 556800.9764 -2.2235 -2.1053 PRESSURE: 1494400 138.626 114.559 24.7125 114.559 24.5776 -82.2419 24.7125 -82.2436 0.0146768 GPRESSURE: 1494400 81.473 136.557 40.4503 77.1536 88.9537 -86.0805 56.0248 -116.7 74.524 PRESSAVG: 1494400 103.791 53.0174 19.9336 53.0175 -70.7664 -28.6782 19.9336 -28.6782 -27.387 GPRESSAVG: 1494400 105.234 53.4085 21.1486 52.6961 -72.7353 -26.1752 18.3774 -29.8452 -27.2481 TIMING: 1494400 CPU: 4340.32, 0.00289537/step Wall: 4340.32, 0.00289537/step, 2.81944 hours remaining, 204.218750 MB of memory in use. ENERGY: 1494400 734.3287 2112.5882 1942.4124 108.2368 -206164.4631 17800.8430 0.0000 0.0000 34447.9833 -149018.0707 300.8428 -183466.0540 -148915.6494 299.6089 54.4061 81.6502 557084.0732 1.8792 1.7502 PRESSURE: 1494600 -8.77759 -25.9114 -72.8548 -25.9112 -121.973 15.1477 -72.8531 15.1474 2.51196 GPRESSURE: 1494600 0.065096 -1.86013 -68.3901 -82.3788 -40.9718 63.6789 -67.9491 31.5451 10.1119 PRESSAVG: 1494600 24.5538 37.085 22.3541 37.085 4.07452 -48.051 22.3541 -48.0509 3.95428 GPRESSAVG: 1494600 24.7023 37.1388 21.1551 36.692 5.06259 -50.0667 22.7877 -46.9384 3.2406 TIMING: 1494600 CPU: 4340.9, 0.00289575/step Wall: 4340.9, 0.00289575/step, 2.81965 hours remaining, 204.218750 MB of memory in use. ENERGY: 1494600 726.4874 2117.1388 1934.5161 111.3098 -205731.0272 17591.2668 0.0000 0.0000 34267.9210 -148982.3875 299.2703 -183250.3085 -148889.3945 299.2183 -42.7460 -10.2649 557373.1425 10.8609 11.0018 PRESSURE: 1494800 23.3407 120.058 -134.573 120.058 -268.008 37.411 -134.573 37.4097 -184.096 GPRESSURE: 1494800 -13.8996 112.511 -95.8411 118.355 -203.101 52.9278 -71.9652 -4.89987 -110.033 PRESSAVG: 1494800 51.4672 22.8328 -48.1065 22.8328 -72.3532 1.04413 -48.1064 1.04409 0.32855 GPRESSAVG: 1494800 50.3629 22.135 -48.2812 22.7005 -70.5528 2.5259 -49.7473 -1.47785 0.0109141 TIMING: 1494800 CPU: 4341.48, 0.00289783/step Wall: 4341.48, 0.00289783/step, 2.82152 hours remaining, 204.218750 MB of memory in use. ENERGY: 1494800 760.2649 2113.6399 1925.3583 102.3699 -205579.4413 17436.9805 0.0000 0.0000 34298.7202 -148942.1076 299.5393 -183240.8277 -148847.4542 299.6087 -142.9212 -109.0114 557377.6340 -6.8525 -6.7263 PRESSURE: 1495000 -171.078 -59.989 -18.667 -59.9882 129.179 61.3763 -18.6678 61.3767 -16.3967 GPRESSURE: 1495000 -81.564 29.5196 6.08262 -53.1938 149.65 145.845 14.5256 8.88466 -6.94237 PRESSAVG: 1495000 -54.2518 -29.4085 12.4861 -29.4085 -2.16363 23.0116 12.4861 23.0117 71.8206 GPRESSAVG: 1495000 -53.5497 -30.9811 11.2676 -26.0132 -3.34302 21.1242 15.8107 25.8357 71.9587 TIMING: 1495000 CPU: 4342.06, 0.00290304/step Wall: 4342.06, 0.00290304/step, 2.82644 hours remaining, 204.218750 MB of memory in use. ENERGY: 1495000 715.3763 2053.1533 1961.7047 123.6880 -205540.7217 17576.3439 0.0000 0.0000 34223.6299 -148886.8256 298.8835 -183110.4554 -148778.8444 299.7634 -19.4320 20.3813 556992.3730 5.1351 5.0220 PRESSURE: 1495200 66.1148 16.7716 -105.709 16.7709 -56.3245 3.79647 -105.708 3.79672 89.4834 GPRESSURE: 1495200 24.4344 41.8206 -170.197 33.1119 18.1051 69.1261 -104.576 58.2235 146.58 PRESSAVG: 1495200 -24.5909 -31.9986 -45.2321 -31.9985 -11.245 -29.1372 -45.232 -29.1373 26.4474 GPRESSAVG: 1495200 -26.1903 -32.4321 -43.9359 -33.0915 -10.2369 -25.5386 -47.9242 -31.0888 25.7162 TIMING: 1495200 CPU: 4342.64, 0.00288059/step Wall: 4342.64, 0.00288059/step, 2.80441 hours remaining, 204.218750 MB of memory in use. ENERGY: 1495200 731.2329 2058.2506 1945.6802 114.8031 -205970.3335 17792.8863 0.0000 0.0000 34259.4629 -149068.0174 299.1964 -183327.4804 -148967.1821 299.6916 33.0912 63.0399 557553.5089 -3.1295 -3.5703 PRESSURE: 1495400 -89.6195 93.5212 -83.5744 93.5219 -124.492 -110.365 -83.5727 -110.365 143.293 GPRESSURE: 1495400 -41.0762 141.399 -90.6301 47.1958 -127.927 -112.699 -54.6129 -36.1539 196.451 PRESSAVG: 1495400 -56.0895 -9.46363 -6.43924 -9.4636 66.8771 -24.0367 -6.43925 -24.0367 -5.63341 GPRESSAVG: 1495400 -55.529 -7.81468 -6.62396 -10.6989 65.5706 -26.6532 -5.19156 -23.9338 -5.17487 TIMING: 1495400 CPU: 4343.22, 0.00290307/step Wall: 4343.22, 0.00290307/step, 2.82614 hours remaining, 204.218750 MB of memory in use. ENERGY: 1495400 721.6621 2079.0563 1952.4345 117.6469 -205829.6134 17710.5806 0.0000 0.0000 34357.0408 -148891.1921 300.0486 -183248.2330 -148796.2008 299.8578 -23.6064 9.1492 558843.8604 1.7181 1.6223 PRESSURE: 1495600 34.2756 29.6053 -235.057 29.6047 -23.7181 106.035 -235.058 106.034 10.5758 GPRESSURE: 1495600 34.0492 -98.617 -301.028 41.7599 61.2457 162.069 -231.538 74.0903 17.778 PRESSAVG: 1495600 -60.4076 26.3078 -64.7847 26.3079 8.99645 -12.4946 -64.7848 -12.4947 39.8556 GPRESSAVG: 1495600 -59.9277 24.845 -63.9251 27.9 8.76799 -12.2027 -65.6371 -12.6071 40.0713 TIMING: 1495600 CPU: 4343.8, 0.00289532/step Wall: 4343.8, 0.00289532/step, 2.81844 hours remaining, 204.218750 MB of memory in use. ENERGY: 1495600 753.3009 2085.8859 1945.6977 112.9663 -205974.1007 17719.8512 0.0000 0.0000 34416.6010 -148939.7977 300.5687 -183356.3986 -148845.2270 299.5613 7.0444 37.6910 557615.3334 -3.8519 -3.6961 PRESSURE: 1495800 -89.6564 7.76668 -83.2841 7.76729 56.7977 -207.002 -83.2843 -207.004 -12.1188 GPRESSURE: 1495800 -45.5528 21.5538 -102.429 -44.4338 50.7206 -252.59 -130.893 -143.76 44.6543 PRESSAVG: 1495800 -42.3713 -39.975 -26.9375 -39.975 16.5431 19.1825 -26.9375 19.1826 22.2015 GPRESSAVG: 1495800 -42.3022 -38.4218 -28.3253 -42.4262 16.2762 18.5564 -27.0313 19.0186 22.0634 TIMING: 1495800 CPU: 4344.38, 0.00289465/step Wall: 4344.38, 0.00289465/step, 2.81762 hours remaining, 204.218750 MB of memory in use. ENERGY: 1495800 772.2376 2081.7635 1990.0861 124.4817 -206115.0407 17835.9209 0.0000 0.0000 34377.8901 -148932.6608 300.2307 -183310.5508 -148830.9937 300.2003 -14.9925 16.6074 557374.3289 -1.2089 -1.3209 PRESSURE: 1496000 -27.6042 8.14772 -35.2047 8.14703 106.126 -94.6409 -35.2044 -94.6413 157.246 GPRESSURE: 1496000 -29.2582 17.4738 -64.9929 -58.4649 101.934 -76.303 -134.373 -77.7224 254.506 PRESSAVG: 1496000 18.2977 50.8371 -16.8444 50.8372 19.5777 26.7642 -16.8444 26.7641 -33.4296 GPRESSAVG: 1496000 19.0303 51.1868 -14.9662 50.8177 18.8431 28.6696 -20.237 26.5161 -33.3634 TIMING: 1496000 CPU: 4344.96, 0.00292199/step Wall: 4344.96, 0.00292199/step, 2.84407 hours remaining, 204.218750 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: 1496000 733.2423 2054.7103 1946.0282 107.6916 -206036.2173 17880.0863 0.0000 0.0000 34428.0975 -148886.3611 300.6691 -183314.4586 -148791.2286 300.1537 78.5894 109.0606 557079.5181 1.4819 1.5033 PRESSURE: 1496200 -202.857 115.444 -24.2373 115.442 -321.301 -89.8682 -24.2376 -89.8682 -203.716 GPRESSURE: 1496200 -98.0892 142.687 -17.7033 94.4071 -315.381 -183.615 8.47299 -57.2717 -208.98 PRESSAVG: 1496200 31.7323 -0.304861 -15.1356 -0.304864 12.2746 16.4704 -15.1355 16.4705 5.64594 GPRESSAVG: 1496200 31.5791 -2.06655 -15.0236 -0.928269 12.6168 16.4135 -11.6197 16.2658 5.87335 TIMING: 1496200 CPU: 4345.54, 0.0029004/step Wall: 4345.54, 0.0029004/step, 2.8229 hours remaining, 204.218750 MB of memory in use. ENERGY: 1496200 757.8544 2105.6240 1971.9971 110.6149 -205837.3603 17475.9859 0.0000 0.0000 34322.2980 -149092.9859 299.7452 -183415.2840 -148991.4177 299.7251 -242.6245 -207.4835 558264.0395 16.5509 16.6897 LDB: ============= START OF LOAD BALANCING ============== 4349.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4349.01 LDB: =============== DONE WITH MIGRATION ================ 4349.01 LDB: ============= START OF LOAD BALANCING ============== 4349.3 LDB: Largest compute 4821 load 0.030714 is 26.1% of average load 0.117666 LDB: Average compute 0.001730 is 1.5% of average load 0.117666 LDB: TIME 4349.3 LOAD: AVG 0.117666 MAX 0.180026 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 4349.31 LOAD: AVG 0.117666 MAX 0.180026 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: TIME 4349.31 LOAD: AVG 0.117666 MAX 0.180026 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4349.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4349.31 PRESSURE: 1496400 -184.878 35.5652 201.184 35.5671 -28.3429 79.6478 201.183 79.6482 -43.7895 GPRESSURE: 1496400 -153.862 118.326 317.091 -34.2056 22.453 105.034 171.594 69.5339 -23.0751 PRESSAVG: 1496400 5.4518 16.8464 38.2893 16.8465 -20.2425 12.8483 38.2893 12.8484 -13.1991 GPRESSAVG: 1496400 5.02477 18.7237 38.7367 19.9843 -20.7365 11.8751 36.4796 13.0138 -12.3213 TIMING: 1496400 CPU: 4346.14, 0.00296885/step Wall: 4346.14, 0.00296885/step, 2.88935 hours remaining, 206.390625 MB of memory in use. ENERGY: 1496400 765.9148 2120.3723 1964.2236 116.6767 -205998.1712 17620.2813 0.0000 0.0000 34126.6868 -149284.0157 298.0368 -183410.7025 -149188.3486 299.1159 -85.6702 -51.4947 556325.6678 -9.3299 -9.3444 PRESSURE: 1496600 -151.282 89.2663 22.2666 89.2659 -86.248 -47.4673 22.2667 -47.4677 54.2546 GPRESSURE: 1496600 -152.295 -80.9064 18.7743 190.202 -27.4415 -106.561 43.8517 -35.0894 104.225 PRESSAVG: 1496600 -33.4415 27.5005 50.3983 27.5004 38.719 -6.38963 50.3983 -6.3897 -8.43312 GPRESSAVG: 1496600 -32.8225 27.488 49.7544 25.6053 38.7195 -5.18537 52.0013 -7.93361 -9.67614 TIMING: 1496600 CPU: 4346.72, 0.00291089/step Wall: 4346.72, 0.00291089/step, 2.83278 hours remaining, 206.917969 MB of memory in use. ENERGY: 1496600 746.0478 2044.6870 1981.4164 119.4710 -206618.2992 17881.8261 0.0000 0.0000 34400.0109 -149444.8401 300.4239 -183844.8509 -149344.9784 299.2034 -61.0917 -25.1704 556392.2018 -1.0519 -1.2597 PRESSURE: 1496800 -72.9642 90.2822 -41.191 90.2812 -93.2747 -29 -41.192 -29.0008 -276.005 GPRESSURE: 1496800 -42.8284 85.8011 10.5458 159.154 -25.4612 -23.9969 -96.8245 -67.0117 -278.843 PRESSAVG: 1496800 -11.4645 46.3084 18.8072 46.3083 5.80271 -36.2804 18.8072 -36.2804 1.07626 GPRESSAVG: 1496800 -12.5185 46.255 18.0098 45.2394 7.22167 -36.7254 18.3872 -35.1632 0.56493 TIMING: 1496800 CPU: 4347.3, 0.00291173/step Wall: 4347.3, 0.00291173/step, 2.83344 hours remaining, 206.917969 MB of memory in use. ENERGY: 1496800 725.0034 2076.0546 1951.8104 124.6030 -206174.2011 17633.7783 0.0000 0.0000 34232.6971 -149430.2542 298.9627 -183662.9513 -149329.3279 298.5285 -147.4145 -115.7109 557555.8837 -1.5285 -1.5773 PRESSURE: 1497000 -197.583 86.6384 17.8752 86.6388 -447.826 -16.7939 17.8751 -16.7934 -143.891 GPRESSURE: 1497000 -153.96 161.185 -13.6759 61.9377 -377.301 -25.036 -49.0764 -116.842 -162.062 PRESSAVG: 1497000 53.768 -30.9288 -19.9673 -30.9288 -52.95 17.0661 -19.9673 17.0661 80.3317 GPRESSAVG: 1497000 53.643 -31.5811 -19.9284 -30.218 -53.1834 13.9741 -21.2752 16.7168 81.0914 TIMING: 1497000 CPU: 4347.88, 0.00289046/step Wall: 4347.88, 0.00289046/step, 2.81258 hours remaining, 206.957031 MB of memory in use. ENERGY: 1497000 778.0851 2046.8447 1963.7212 116.8814 -206049.7525 17453.0879 0.0000 0.0000 34193.4355 -149497.6966 298.6198 -183691.1320 -149399.3857 298.2260 -263.0999 -231.1076 555982.9806 27.0499 27.1837 PRESSURE: 1497200 -103.477 -31.8241 -103.452 -31.823 -19.2072 39.613 -103.454 39.6134 -244.213 GPRESSURE: 1497200 -102.759 -34.6619 -120.744 -34.3131 -15.0183 -85.7545 -73.9341 48.2611 -160.222 PRESSAVG: 1497200 -20.9869 -7.64785 35.1296 -7.6479 -13.8248 29.7661 35.1297 29.7662 43.1314 GPRESSAVG: 1497200 -20.5317 -6.38258 36.75 -6.89622 -14.7263 31.5631 36.6252 28.6227 43.4065 TIMING: 1497200 CPU: 4348.46, 0.00288766/step Wall: 4348.46, 0.00288766/step, 2.80969 hours remaining, 206.957031 MB of memory in use. ENERGY: 1497200 775.3949 2044.6699 1970.9982 114.2981 -206716.6096 17951.5348 0.0000 0.0000 34171.4331 -149688.2807 298.4276 -183859.7138 -149596.1200 298.9418 -122.2993 -92.6666 556634.9483 2.7732 2.7161 PRESSURE: 1497400 -9.73957 114.493 113.627 114.494 -474.175 131.876 113.627 131.877 88.5263 GPRESSURE: 1497400 11.3705 89.3476 115.807 60.8572 -400.514 241.869 100.285 22.7321 90.002 PRESSAVG: 1497400 -10.2085 25.8469 4.83953 25.8468 15.6316 51.8565 4.83953 51.8565 16.8234 GPRESSAVG: 1497400 -9.83025 23.677 3.56371 26.8456 15.2495 52.1972 4.19468 52.0237 16.6249 TIMING: 1497400 CPU: 4349.03, 0.00287288/step Wall: 4349.03, 0.00287288/step, 2.79516 hours remaining, 206.957031 MB of memory in use. ENERGY: 1497400 738.8863 2112.4839 1946.7361 109.0571 -206208.2303 17541.5117 0.0000 0.0000 34127.0865 -149632.4689 298.0403 -183759.5553 -149531.4826 297.4660 -131.7960 -99.7139 556560.4198 7.4155 7.3480 PRESSURE: 1497600 -64.0867 6.10203 30.0757 6.10131 -43.6952 56.0699 30.0752 56.0696 119.934 GPRESSURE: 1497600 3.18722 -58.2497 -94.9852 44.647 -25.2596 34.6 39.6837 -100.956 135.309 PRESSAVG: 1497600 9.43034 62.685 -15.9012 62.685 -48.1036 10.2508 -15.9012 10.251 69.6988 GPRESSAVG: 1497600 9.82893 64.2714 -16.621 60.7659 -46.2301 8.30116 -15.7276 12.8131 67.6284 TIMING: 1497600 CPU: 4349.61, 0.00288847/step Wall: 4349.61, 0.00288847/step, 2.81017 hours remaining, 206.957031 MB of memory in use. ENERGY: 1497600 727.3691 2096.1334 1975.3470 115.8156 -206556.4820 17915.9011 0.0000 0.0000 34304.0928 -149421.8230 299.5862 -183725.9158 -149325.8252 298.1169 4.0508 37.7455 558036.3514 10.3419 10.4091 PRESSURE: 1497800 -31.1302 -42.5606 -53.7426 -42.5597 141.021 -22.5225 -53.743 -22.5233 -56.5536 GPRESSURE: 1497800 16.4059 -38.5605 26.9203 -118.885 145.196 0.312961 -144.442 -13.8531 -22.7449 PRESSAVG: 1497800 19.1046 16.5873 12.4005 16.5872 36.0434 10.8831 12.4006 10.8831 -54.7002 GPRESSAVG: 1497800 18.1448 15.9783 14.0099 18.4733 35.6864 11.2024 11.7139 11.8202 -53.0463 TIMING: 1497800 CPU: 4350.19, 0.00290224/step Wall: 4350.19, 0.00290224/step, 2.8234 hours remaining, 206.957031 MB of memory in use. ENERGY: 1497800 737.2255 2121.5991 1981.6919 108.0906 -206299.9479 17809.0635 0.0000 0.0000 34304.3991 -149237.8782 299.5888 -183542.2773 -149138.9789 298.9747 17.7791 46.2855 558017.7756 0.1493 0.2617 PRESSURE: 1498000 78.7872 100.319 11.7664 100.32 135.793 94.0164 11.7673 94.0159 53.0564 GPRESSURE: 1498000 184.581 136.832 35.7028 93.5232 135.749 165.079 33.8367 52.9408 41.138 PRESSAVG: 1498000 29.7096 36.506 43.8048 36.506 -26.7653 -5.46787 43.805 -5.46795 4.57397 GPRESSAVG: 1498000 30.0326 37.5607 42.0876 34.761 -28.3649 -3.58247 45.9688 -4.86328 5.79379 TIMING: 1498000 CPU: 4350.77, 0.00290524/step Wall: 4350.77, 0.00290524/step, 2.82615 hours remaining, 206.957031 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: 1498000 752.7971 2087.9934 1929.3944 99.8540 -206069.7614 17875.7456 0.0000 0.0000 34105.1241 -149218.8529 297.8485 -183323.9770 -149116.2146 299.1674 89.2120 120.4892 558053.6275 2.5061 2.4872 PRESSURE: 1498200 -360.296 36.3488 -142.522 36.3509 -169.883 192.045 -142.522 192.046 202.58 GPRESSURE: 1498200 -296.578 -2.02892 -99.7088 26.7326 -134.148 139.187 -185.086 217.614 196.74 PRESSAVG: 1498200 64.2854 -40.3258 -52.1925 -40.3258 -78.3794 -14.6813 -52.1926 -14.6813 26.9969 GPRESSAVG: 1498200 63.5213 -42.4104 -49.6405 -39.2189 -77.7446 -15.6301 -52.7546 -16.3902 26.6314 TIMING: 1498200 CPU: 4351.35, 0.00290268/step Wall: 4351.35, 0.00290268/step, 2.8235 hours remaining, 206.957031 MB of memory in use. ENERGY: 1498200 780.9526 2157.9992 1946.7667 125.6719 -206487.9906 17814.9638 0.0000 0.0000 34309.2455 -149352.3909 299.6312 -183661.6363 -149251.3845 298.5616 -109.1996 -77.9954 558576.3451 4.3009 4.1360 PRESSURE: 1498400 79.802 208.419 17.2758 208.419 -142.052 -109.293 17.2769 -109.295 194.826 GPRESSURE: 1498400 23.5486 210.862 -20.0238 254.902 -52.0687 -96.3416 80.5628 -72.2441 267.521 PRESSAVG: 1498400 47.1291 20.6987 20.6708 20.6987 -89.6328 17.3492 20.6708 17.3494 70.4949 GPRESSAVG: 1498400 47.5833 23.1489 19.0329 20.6036 -89.6499 18.1306 18.5655 16.426 69.8231 TIMING: 1498400 CPU: 4351.93, 0.00287634/step Wall: 4351.93, 0.00287634/step, 2.79772 hours remaining, 206.957031 MB of memory in use. ENERGY: 1498400 777.9226 2127.7197 1934.0987 104.3566 -206401.7278 17946.9427 0.0000 0.0000 34292.8412 -149217.8462 299.4879 -183510.6874 -149124.1169 299.0045 44.1921 79.6671 557967.1595 9.3304 9.2522 PRESSURE: 1498600 -190.454 40.7551 -59.9378 40.755 -24.8677 168.088 -59.9371 168.088 -222.348 GPRESSURE: 1498600 -166.662 66.938 -73.0851 38.8289 -3.40069 170.393 -115.707 146.427 -161.993 PRESSAVG: 1498600 -11.4134 63.3032 11.1159 63.3031 -25.4986 -10.769 11.1159 -10.7689 43.5705 GPRESSAVG: 1498600 -10.0235 60.83 10.8475 64.5795 -26.142 -13.4791 13.4609 -10.4659 42.7293 TIMING: 1498600 CPU: 4352.5, 0.00287714/step Wall: 4352.5, 0.00287714/step, 2.79833 hours remaining, 206.957031 MB of memory in use. ENERGY: 1498600 735.4730 2116.7723 1959.9401 113.2946 -206317.8017 17582.3257 0.0000 0.0000 34415.5029 -149394.4931 300.5591 -183809.9960 -149288.4554 298.9884 -145.8897 -110.6852 557155.5562 2.2195 2.1879 PRESSURE: 1498800 14.8841 146.329 202.695 146.33 126.521 -169.424 202.696 -169.423 -189.016 GPRESSURE: 1498800 36.9652 153.192 134.48 115.487 178.795 -121.72 176.229 -106.114 -173.74 PRESSAVG: 1498800 21.0916 74.5579 26.9125 74.5579 -9.41708 -26.7005 26.9124 -26.7005 -2.59925 GPRESSAVG: 1498800 20.2273 76.5103 27.4905 75.966 -8.99229 -23.9386 28.3732 -27.3469 -1.94869 TIMING: 1498800 CPU: 4353.08, 0.00287998/step Wall: 4353.08, 0.00287998/step, 2.80094 hours remaining, 206.957031 MB of memory in use. ENERGY: 1498800 748.2391 2086.1479 1960.4215 113.5341 -206415.5323 17793.9619 0.0000 0.0000 34365.2931 -149347.9346 300.1207 -183713.2277 -149247.9715 299.4174 -15.8703 14.0068 556023.3057 3.0251 3.0954 PRESSURE: 1499000 -80.1761 118.019 53.3776 118.019 -72.3302 4.86896 53.3768 4.86928 25.6025 GPRESSURE: 1499000 -65.7161 1.48939 -11.5411 121.622 -32.96 91.4116 77.2425 26.8312 59.4156 PRESSAVG: 1499000 -6.43388 43.7791 36.8943 43.7789 -19.7868 20.1839 36.8942 20.1838 25.3566 GPRESSAVG: 1499000 -5.04917 40.3807 35.4009 42.4814 -19.0522 20.5969 38.3679 20.0172 23.4979 TIMING: 1499000 CPU: 4353.65, 0.00288403/step Wall: 4353.65, 0.00288403/step, 2.80472 hours remaining, 206.957031 MB of memory in use. ENERGY: 1499000 751.5542 2130.2833 1973.9635 103.8211 -206188.4106 17672.8714 0.0000 0.0000 34155.5323 -149400.3847 298.2888 -183555.9170 -149306.3046 299.0098 -42.3013 -13.0868 556535.4341 -0.2880 -0.2012 PRESSURE: 1499200 10.5195 -77.5596 -29.1047 -77.5579 173.254 -89.0666 -29.1042 -89.0673 -140.388 GPRESSURE: 1499200 48.8247 -128.074 -24.9576 -29.8065 172.843 -68.7805 -52.7598 -112.612 -96.1799 PRESSAVG: 1499200 77.0775 30.724 -58.017 30.7241 -27.113 -48.9061 -58.0169 -48.9063 -42.4741 GPRESSAVG: 1499200 77.2833 32.3041 -55.332 30.5452 -28.8691 -50.8857 -62.2078 -47.9703 -40.644 TIMING: 1499200 CPU: 4354.23, 0.00289818/step Wall: 4354.23, 0.00289818/step, 2.81832 hours remaining, 206.957031 MB of memory in use. ENERGY: 1499200 769.0670 2120.4388 1944.1423 120.1872 -206230.5003 17799.8866 0.0000 0.0000 34182.4196 -149294.3588 298.5236 -183476.7784 -149201.5608 299.3287 14.4618 41.8293 555103.5527 2.4968 2.5901 PRESSURE: 1499400 -116.827 87.4549 -65.011 87.4554 -42.6704 55.5493 -65.0119 55.5488 99.8715 GPRESSURE: 1499400 -135.891 74.8221 -128.042 14.4498 53.0413 65.3032 18.8521 13.8466 110.612 PRESSAVG: 1499400 109.958 49.9715 -4.51653 49.9716 -33.7525 -41.8156 -4.51659 -41.8157 -45.195 GPRESSAVG: 1499400 108.658 48.583 -5.8468 51.3717 -32.7478 -40.4071 -3.02832 -42.7288 -44.8829 TIMING: 1499400 CPU: 4354.81, 0.00289953/step Wall: 4354.81, 0.00289953/step, 2.81947 hours remaining, 206.957031 MB of memory in use. ENERGY: 1499400 707.1759 2033.1281 1937.6325 104.5385 -206290.6053 17681.6961 0.0000 0.0000 34497.2975 -149329.1368 301.2735 -183826.4343 -149231.6739 299.7916 -19.8754 9.2539 556423.3019 10.3369 10.3423 PRESSURE: 1499600 -197.248 53.3992 -76.4439 53.3998 -36.0928 4.05734 -76.4439 4.05726 -154.578 GPRESSURE: 1499600 -139.788 38.35 -130.96 -12.2001 -22.7441 39.7362 -79.189 -43.3885 -140.729 PRESSAVG: 1499600 78.7137 32.0637 6.52109 32.0637 -55.647 1.99116 6.52115 1.99116 -30.9131 GPRESSAVG: 1499600 79.1005 34.4111 7.3108 29.3783 -56.1818 1.75973 4.3602 2.65326 -31.3091 TIMING: 1499600 CPU: 4355.39, 0.00289989/step Wall: 4355.39, 0.00289989/step, 2.81966 hours remaining, 206.957031 MB of memory in use. ENERGY: 1499600 761.7760 2160.7578 1966.8544 102.1303 -206406.5633 17734.3783 0.0000 0.0000 34413.9097 -149266.7567 300.5452 -183680.6665 -149168.1008 299.5576 -129.3065 -101.0872 557160.8783 -2.6155 -2.7968 PRESSURE: 1499800 -102.055 156.376 -117.822 156.377 -105.964 18.8787 -117.822 18.8797 5.15199 GPRESSURE: 1499800 -15.9623 217.477 -115.792 173.036 -82.9222 11.9258 -51.6256 22.4036 -1.82968 PRESSAVG: 1499800 57.8826 21.8461 -42.9025 21.8462 17.3585 50.9606 -42.9025 50.9606 -28.0292 GPRESSAVG: 1499800 58.0877 23.3061 -44.1578 23.2794 17.1069 51.1644 -40.6605 50.0497 -28.2332 TIMING: 1499800 CPU: 4355.97, 0.00289927/step Wall: 4355.97, 0.00289927/step, 2.81889 hours remaining, 206.957031 MB of memory in use. ENERGY: 1499800 757.2735 2150.7689 1970.0139 117.6733 -206302.2059 17776.1044 0.0000 0.0000 34162.8009 -149367.5710 298.3522 -183530.3718 -149271.7109 299.2752 -67.6223 -33.5714 556386.1257 15.7373 15.6538 PRESSURE: 1500000 62.8396 78.9861 5.20081 78.987 -79.0909 24.9937 5.20197 24.9942 251.553 GPRESSURE: 1500000 92.3888 61.381 84.8163 60.057 -45.3566 -89.948 -67.4449 82.828 296.602 PRESSAVG: 1500000 29.3054 -32.6482 9.51232 -32.6483 -35.3122 16.4769 9.51239 16.477 17.0242 GPRESSAVG: 1500000 28.9456 -32.3907 11.9046 -33.825 -33.5379 16.0643 8.47046 16.8227 16.077 TIMING: 1500000 CPU: 4356.56, 0.00290984/step Wall: 4356.56, 0.00290984/step, 2.82901 hours remaining, 206.957031 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: 1500000 726.8780 2108.7014 1918.0797 119.9809 -206581.9108 18038.3599 0.0000 0.0000 34379.4095 -149290.5015 300.2439 -183669.9110 -149191.5935 299.0275 78.4340 114.5449 556683.3722 3.6725 3.8282 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.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 13.7934 13.2471 -37.5819 13.248 161.334 95.956 -37.581 95.9576 89.7129 GPRESSURE: 1500200 -3.10617 84.5307 6.99267 -48.1799 220.72 27.1629 -49.8829 147.54 128.82 PRESSAVG: 1500200 -29.3221 25.6216 -9.22836 25.6215 53.9934 6.46533 -9.22837 6.46527 28.1218 GPRESSAVG: 1500200 -29.8391 27.0172 -11.0127 24.5911 53.626 5.68515 -7.40864 8.68517 28.8474 TIMING: 1500200 CPU: 4357.16, 0.00303561/step Wall: 4357.16, 0.00303561/step, 2.95112 hours remaining, 206.957031 MB of memory in use. ENERGY: 1500200 752.1963 2103.0380 1962.4286 129.1024 -206699.2851 18123.4127 0.0000 0.0000 34333.4051 -149295.7019 299.8422 -183629.1070 -149200.6421 299.6932 88.2801 115.4781 557668.7114 17.5977 17.5448 LDB: ============= START OF LOAD BALANCING ============== 4360.63 LDB: ============== END OF LOAD BALANCING =============== 4360.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4360.63 LDB: ============= START OF LOAD BALANCING ============== 4360.92 LDB: Largest compute 4821 load 0.031064 is 26.4% of average load 0.117716 LDB: Average compute 0.001736 is 1.5% of average load 0.117716 LDB: TIME 4360.92 LOAD: AVG 0.117716 MAX 0.175812 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.855 MB LDB: TIME 4360.92 LOAD: AVG 0.117716 MAX 0.175812 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: TIME 4360.92 LOAD: AVG 0.117716 MAX 0.175812 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: ============== END OF LOAD BALANCING =============== 4360.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4360.93 PRESSURE: 1500400 -105.446 -96.2011 101.794 -96.2018 -176.042 -34.8704 101.792 -34.8688 93.4417 GPRESSURE: 1500400 -33.7391 -84.1373 155.84 -92.6285 -149.241 -72.9951 30.6665 -10.7749 90.4647 PRESSAVG: 1500400 6.62058 -5.9041 38.82 -5.90404 -48.7048 32.5474 38.8199 32.5472 33.2026 GPRESSAVG: 1500400 7.46251 -9.39983 39.5635 -3.23413 -48.3758 31.5761 36.4834 32.2942 31.7956 TIMING: 1500400 CPU: 4357.75, 0.00293888/step Wall: 4357.75, 0.00293888/step, 2.85691 hours remaining, 206.394531 MB of memory in use. ENERGY: 1500400 795.2336 2056.0312 1959.2134 108.2865 -206147.7401 17840.3401 0.0000 0.0000 34206.1264 -149182.5090 298.7306 -183388.6354 -149076.9772 298.8518 -62.6823 -30.8384 558315.8291 -2.9605 -3.0392 PRESSURE: 1500600 -62.7119 14.1841 -124.079 14.1841 79.6625 -9.08455 -124.078 -9.08434 -221.523 GPRESSURE: 1500600 -27.1009 -113.886 -81.7883 78.6924 119.474 -32.2125 -122.174 55.6706 -219.806 PRESSAVG: 1500600 -3.32296 58.5321 14.2325 58.532 23.442 7.5921 14.2325 7.59204 -26.9103 GPRESSAVG: 1500600 -5.05417 58.2088 13.7637 58.4086 23.0881 5.85674 14.3782 8.28354 -25.2422 TIMING: 1500600 CPU: 4358.33, 0.00287642/step Wall: 4358.33, 0.00287642/step, 2.79604 hours remaining, 206.464844 MB of memory in use. ENERGY: 1500600 740.2591 2076.8920 1977.2244 118.8585 -206170.3985 17818.4415 0.0000 0.0000 34190.4373 -149248.2857 298.5936 -183438.7230 -149153.3045 299.0618 -68.1907 -42.4774 558612.3204 -2.2638 -2.4027 PRESSURE: 1500800 167.805 -99.4558 134.826 -99.4541 17.9347 2.12311 134.828 2.12288 -2.85236 GPRESSURE: 1500800 187.919 -80.596 108.162 -115.431 43.5815 -15.244 31.6727 -26.8554 49.4975 PRESSAVG: 1500800 -47.4006 14.923 -5.82024 14.9231 70.635 29.0244 -5.82018 29.0244 -35.2279 GPRESSAVG: 1500800 -46.2869 15.7965 -7.09739 14.1126 69.9361 30.328 -4.83706 29.1104 -35.3741 TIMING: 1500800 CPU: 4358.91, 0.00289915/step Wall: 4358.91, 0.00289915/step, 2.81798 hours remaining, 206.464844 MB of memory in use. ENERGY: 1500800 772.7167 2103.2946 1963.4987 120.8061 -206409.8714 18031.7866 0.0000 0.0000 34331.2328 -149086.5359 299.8232 -183417.7687 -148983.2698 298.4615 60.9625 93.6660 557837.8229 -3.9978 -3.9083 PRESSURE: 1501000 145.438 12.1315 34.1155 12.1322 251.534 95.8323 34.1145 95.8316 -13.8897 GPRESSURE: 1501000 187.852 10.7446 60.2033 -27.8167 291.834 120.518 70.7262 123.493 -6.10807 PRESSAVG: 1501000 29.7332 -27.5285 -4.05321 -27.5285 4.86976 -13.0183 -4.05319 -13.0183 4.65633 GPRESSAVG: 1501000 30.9219 -27.7574 -2.94613 -27.5128 4.84537 -12.5945 -3.75028 -13.8568 3.33423 TIMING: 1501000 CPU: 4359.49, 0.00290429/step Wall: 4359.49, 0.00290429/step, 2.82281 hours remaining, 206.464844 MB of memory in use. ENERGY: 1501000 782.1085 2081.3014 1935.7150 115.4427 -206391.4409 18098.2406 0.0000 0.0000 34316.0489 -149062.5837 299.6906 -183378.6326 -148967.0758 300.0322 127.6939 157.8594 557490.5088 13.0864 13.0338 PRESSURE: 1501200 5.18623 -142.637 -83.2988 -142.636 55.403 15.8659 -83.2993 15.8661 44.5033 GPRESSURE: 1501200 55.3043 -80.6627 -46.3799 -132.456 60.5001 -50.7864 -59.0752 40.3358 80.2864 PRESSAVG: 1501200 -96.5172 -62.3591 -19.2175 -62.3592 52.5097 -38.6006 -19.2175 -38.6005 88.2879 GPRESSAVG: 1501200 -97.9897 -61.4882 -18.0303 -62.433 52.7875 -39.4244 -20.6341 -36.8327 89.7486 TIMING: 1501200 CPU: 4360.07, 0.00290712/step Wall: 4360.07, 0.00290712/step, 2.8254 hours remaining, 206.464844 MB of memory in use. ENERGY: 1501200 746.0431 2106.9167 1978.2969 119.6232 -206130.2901 17887.1676 0.0000 0.0000 34207.3329 -149084.9097 298.7411 -183292.2426 -148986.9476 299.4029 35.0309 65.3636 557643.7372 14.7601 14.8488 PRESSURE: 1501400 -72.9799 80.6508 -247.212 80.6516 150.451 -103.049 -247.213 -103.047 243.037 GPRESSURE: 1501400 37.7768 74.9509 -288.246 76.972 161.881 -210.999 -250.349 -71.0823 226.614 PRESSAVG: 1501400 47.6949 83.3086 -77.7251 83.3085 -21.4042 -16.3685 -77.7251 -16.3685 -33.4795 GPRESSAVG: 1501400 47.3643 83.2057 -80.235 82.9808 -20.8651 -14.9471 -76.6012 -17.996 -33.4761 TIMING: 1501400 CPU: 4360.65, 0.00291716/step Wall: 4360.65, 0.00291716/step, 2.83499 hours remaining, 206.464844 MB of memory in use. ENERGY: 1501400 765.4870 2072.7649 1970.6261 110.2978 -206789.5309 18117.6344 0.0000 0.0000 34539.0415 -149213.6794 301.6380 -183752.7209 -149120.0119 299.2716 106.8360 142.0905 557581.3008 -2.3963 -2.3256 PRESSURE: 1501600 -225.651 41.8968 -116.038 41.8979 -410.767 -191.773 -116.038 -191.771 -269.001 GPRESSURE: 1501600 -155.534 97.1122 -130.257 31.4789 -400.002 -144.968 -48.3692 -116.219 -266.546 PRESSAVG: 1501600 18.8213 38.6317 -15.4703 38.6317 -43.2663 14.6115 -15.4704 14.6113 0.197377 GPRESSAVG: 1501600 19.6808 39.249 -14.2393 38.4738 -42.906 13.7831 -13.81 12.9861 -1.41953 TIMING: 1501600 CPU: 4361.23, 0.00289545/step Wall: 4361.23, 0.00289545/step, 2.81374 hours remaining, 206.464844 MB of memory in use. ENERGY: 1501600 773.2333 2105.3588 1966.2370 106.0812 -205720.0936 17434.4668 0.0000 0.0000 34082.0460 -149252.6705 297.6470 -183334.7165 -149161.6864 299.0897 -301.8061 -274.0273 559702.9390 -8.0825 -8.2149 PRESSURE: 1501800 -45.0586 53.9694 161.87 53.9707 -109.429 223.532 161.87 223.532 245.476 GPRESSURE: 1501800 -23.282 6.04372 161.202 85.996 -86.85 272.75 125.521 181.767 287.035 PRESSAVG: 1501800 26.8718 12.927 5.88576 12.927 3.69357 20.2537 5.88585 20.2535 2.11334 GPRESSAVG: 1501800 26.3662 12.4103 5.31052 13.1838 3.1843 20.5762 4.06896 20.2542 3.34929 TIMING: 1501800 CPU: 4361.81, 0.00287529/step Wall: 4361.81, 0.00287529/step, 2.79398 hours remaining, 206.464844 MB of memory in use. ENERGY: 1501800 761.0390 2057.6457 1994.0907 111.5145 -206162.9621 17821.9075 0.0000 0.0000 34232.3990 -149184.3657 298.9601 -183416.7647 -149093.5271 299.0454 30.3293 58.9678 557530.0832 10.8929 10.9666 PRESSURE: 1502000 -195.586 5.48502 15.2676 5.48546 -294.278 72.5103 15.268 72.5108 12.0037 GPRESSURE: 1502000 -156.093 -87.6458 -21.6639 42.0969 -272.278 -24.3197 28.6094 -1.82852 51.2459 PRESSAVG: 1502000 54.4498 2.53586 -13.4569 2.53592 14.0223 5.54558 -13.4568 5.54554 -26.2058 GPRESSAVG: 1502000 53.9254 1.75162 -13.9723 3.64094 13.5507 5.03693 -11.8636 7.12191 -25.1435 TIMING: 1502000 CPU: 4362.38, 0.00287425/step Wall: 4362.38, 0.00287425/step, 2.79281 hours remaining, 206.464844 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: 1502000 736.3444 2016.1644 1984.5257 108.1378 -205768.6397 17404.7694 0.0000 0.0000 34385.5060 -149133.1920 300.2972 -183518.6981 -149031.5939 298.9842 -159.2866 -125.7085 557187.5878 14.0888 14.1109 PRESSURE: 1502200 -246.757 -47.392 -75.6073 -47.3925 -179.419 -81.4564 -75.6072 -81.457 -405.237 GPRESSURE: 1502200 -198.74 -33.7744 -34.3389 -77.895 -130.261 -75.4825 -149.668 -102.872 -383.645 PRESSAVG: 1502200 -58.8422 19.3616 -33.9392 19.3616 39.4411 5.45515 -33.9391 5.45502 26.1065 GPRESSAVG: 1502200 -58.5961 20.9973 -33.4964 18.042 39.8149 5.45923 -34.6444 4.79377 25.5678 TIMING: 1502200 CPU: 4362.96, 0.00287726/step Wall: 4362.96, 0.00287726/step, 2.79557 hours remaining, 206.464844 MB of memory in use. ENERGY: 1502200 765.9031 2105.2914 1976.8820 114.4927 -205580.4569 17400.1407 0.0000 0.0000 34151.4559 -149066.2911 298.2532 -183217.7470 -148971.0344 299.5206 -277.1376 -237.5486 558221.8197 2.2351 2.2622 PRESSURE: 1502400 1.62367 112.422 -29.994 112.422 -0.527994 -93.8078 -29.9946 -93.8083 -16.3662 GPRESSURE: 1502400 4.08341 128.8 26.4113 113.738 43.5884 -180.246 -19.033 -92.3055 32.6588 PRESSAVG: 1502400 -53.3317 19.3354 -19.7701 19.3354 66.1044 -24.2624 -19.7702 -24.2625 -25.3891 GPRESSAVG: 1502400 -53.0434 20.3296 -19.5227 18.892 65.8991 -23.2174 -19.5904 -25.3699 -26.0903 TIMING: 1502400 CPU: 4363.54, 0.00292016/step Wall: 4363.54, 0.00292016/step, 2.83709 hours remaining, 206.667969 MB of memory in use. ENERGY: 1502400 752.6315 2147.7237 1959.2488 122.2530 -206094.3922 17833.7174 0.0000 0.0000 34166.9285 -149111.8893 298.3883 -183278.8178 -149021.1725 299.4510 -5.0902 26.7769 558286.1289 -4.2055 -4.4115 PRESSURE: 1502600 66.4855 -236.088 105.558 -236.088 -181.639 25.2559 105.558 25.2577 -27.4167 GPRESSURE: 1502600 159.764 -311.917 -22.3519 -127.05 -153.558 12.2036 160.357 7.05806 -55.2062 PRESSAVG: 1502600 -22.2672 12.2395 6.65468 12.2397 10.9376 33.206 6.65471 33.2061 37.4256 GPRESSAVG: 1502600 -22.1183 9.01701 5.77693 13.4438 10.0824 32.0105 7.2668 33.9947 37.9673 TIMING: 1502600 CPU: 4364.12, 0.00291336/step Wall: 4364.12, 0.00291336/step, 2.83033 hours remaining, 206.667969 MB of memory in use. ENERGY: 1502600 757.2237 2092.7526 1932.3933 111.0246 -206243.1699 17848.0908 0.0000 0.0000 34325.5400 -149176.1450 299.7735 -183501.6850 -149078.3126 299.1592 -47.5234 -16.3334 556861.5743 8.6987 8.6438 PRESSURE: 1502800 -202.471 -7.31383 -45.7011 -7.31251 14.3021 75.5355 -45.7015 75.5353 274.716 GPRESSURE: 1502800 -182.329 74.5439 -33.5304 -76.0757 54.1849 54.4679 -63.1778 121.197 323.758 PRESSAVG: 1502800 -111.612 -15.5437 -14.2818 -15.5436 62.8382 5.81941 -14.2818 5.81945 59.8091 GPRESSAVG: 1502800 -111.197 -15.1182 -13.2372 -15.3862 64.7849 6.63153 -15.0681 6.12 57.9137 TIMING: 1502800 CPU: 4364.7, 0.00289309/step Wall: 4364.7, 0.00289309/step, 2.81047 hours remaining, 206.667969 MB of memory in use. ENERGY: 1502800 767.5635 2006.7493 1977.8615 122.5486 -206254.6974 17979.5008 0.0000 0.0000 34251.8353 -149148.6385 299.1298 -183400.4738 -149055.8310 299.1397 28.8491 65.2049 558136.8950 3.6784 3.8337 PRESSURE: 1503000 46.3934 -148.893 36.769 -148.893 11.5113 69.7503 36.7696 69.7499 -19.2124 GPRESSURE: 1503000 40.6305 -129.878 68.6706 -70.7078 51.9854 25.9469 26.8552 76.1991 41.0866 PRESSAVG: 1503000 53.5971 27.6522 45.1364 27.6522 55.1628 32.0234 45.1364 32.0234 11.9238 GPRESSAVG: 1503000 52.8397 28.628 43.7629 27.5931 53.8697 33.0782 47.5527 31.999 13.6132 TIMING: 1503000 CPU: 4365.28, 0.00288793/step Wall: 4365.28, 0.00288793/step, 2.80531 hours remaining, 206.667969 MB of memory in use. ENERGY: 1503000 745.2995 2070.1451 1951.7216 111.9482 -206164.7638 17748.7143 0.0000 0.0000 34469.6871 -149067.2481 301.0324 -183536.9352 -148974.5567 299.6453 12.8974 44.5675 557909.1380 40.2279 40.1075 PRESSURE: 1503200 69.9998 225.373 -18.0851 225.373 33.1448 0.0365223 -18.0853 0.0372808 72.5154 GPRESSURE: 1503200 109.21 195.388 12.8708 201.535 34.9698 -34.8179 -12.3875 19.9201 134.41 PRESSAVG: 1503200 37.4097 26.5925 -25.045 26.5925 47.9024 -1.38326 -25.045 -1.3833 -48.3108 GPRESSAVG: 1503200 37.0123 27.3552 -22.8113 24.6484 48.6954 -4.73341 -28.3967 0.254048 -48.1349 TIMING: 1503200 CPU: 4365.86, 0.00289374/step Wall: 4365.86, 0.00289374/step, 2.81079 hours remaining, 206.667969 MB of memory in use. ENERGY: 1503200 782.4700 2155.5877 1934.7039 124.8011 -206068.9982 17849.9395 0.0000 0.0000 34266.1565 -148955.3396 299.2549 -183221.4961 -148859.7120 300.4958 58.5533 92.8635 556936.2835 12.3338 12.5243 PRESSURE: 1503400 -108.137 -29.7915 134.582 -29.7917 -360.789 285.904 134.583 285.906 162.298 GPRESSURE: 1503400 -52.2256 -11.3975 78.4018 3.81988 -301.5 223.911 152.665 244.218 153.159 PRESSAVG: 1503400 -9.8509 53.257 24.4154 53.257 -7.65227 41.6228 24.4154 41.6229 19.5547 GPRESSAVG: 1503400 -8.92009 51.7293 21.7308 53.77 -8.72966 45.0204 25.4584 38.5193 19.2669 TIMING: 1503400 CPU: 4366.44, 0.00291415/step Wall: 4366.44, 0.00291415/step, 2.83045 hours remaining, 206.667969 MB of memory in use. ENERGY: 1503400 758.2601 2083.6938 1944.0400 118.5914 -205838.8601 17646.8036 0.0000 0.0000 34431.4638 -148856.0074 300.6985 -183287.4712 -148758.8557 300.1036 -102.2094 -66.8557 559325.1560 0.6839 0.5391 PRESSURE: 1503600 40.8466 -137.331 63.2681 -137.332 -225.505 131.889 63.2665 131.89 -177.746 GPRESSURE: 1503600 76.4033 -82.6689 116.162 -141.626 -227.92 79.819 11.4219 72.6519 -110.839 PRESSAVG: 1503600 75.5477 -33.9 3.81642 -33.9 -11.3911 52.0124 3.81642 52.0123 -70.4834 GPRESSAVG: 1503600 75.7773 -35.0573 6.32325 -33.5631 -11.3784 53.3138 3.33639 52.5693 -71.04 TIMING: 1503600 CPU: 4367.02, 0.00291868/step Wall: 4367.02, 0.00291868/step, 2.83469 hours remaining, 206.667969 MB of memory in use. ENERGY: 1503600 736.1087 2096.5427 1963.7066 119.8462 -206110.9820 17588.0053 0.0000 0.0000 34637.5977 -148969.1748 302.4988 -183606.7724 -148869.6115 300.0048 -120.8017 -87.4519 557286.4968 -2.1089 -2.2137 PRESSURE: 1503800 -59.822 -24.3487 -77.8959 -24.3475 -132.577 161.125 -77.8962 161.125 53.8594 GPRESSURE: 1503800 -50.4412 -53.7863 -158.201 -41.3678 -50.4618 56.427 -55.2271 216.138 52.7355 PRESSAVG: 1503800 -1.69553 -4.53923 -43.5547 -4.53913 43.4142 69.7128 -43.5547 69.7127 -21.5646 GPRESSAVG: 1503800 -1.7373 -4.14331 -46.0506 -3.67933 42.7685 66.6956 -40.592 71.0023 -21.4447 TIMING: 1503800 CPU: 4367.61, 0.00291299/step Wall: 4367.61, 0.00291299/step, 2.829 hours remaining, 206.667969 MB of memory in use. ENERGY: 1503800 734.3374 2107.7301 1935.5298 126.8159 -206333.6920 17908.2363 0.0000 0.0000 34476.0725 -149044.9700 301.0881 -183521.0425 -148945.3975 300.0747 -46.1797 -16.0558 558426.6979 6.7180 6.5288 PRESSURE: 1504000 -95.4605 15.973 66.0488 15.9733 -212.386 -10.0916 66.0502 -10.0906 -123.714 GPRESSURE: 1504000 -84.3044 95.4648 22.9984 -2.65879 -169.609 28.8695 49.0593 -31.9062 -91.6475 PRESSAVG: 1504000 -21.6392 0.165515 -10.7172 0.16552 -42.9548 28.6194 -10.7171 28.6194 13.7937 GPRESSAVG: 1504000 -22.7443 0.430645 -10.0844 -0.862928 -42.3093 27.0886 -10.7173 30.3315 14.66 TIMING: 1504000 CPU: 4368.19, 0.00289995/step Wall: 4368.19, 0.00289995/step, 2.81618 hours remaining, 206.734375 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: 1504000 783.8123 2136.2393 1918.2094 122.4251 -205864.1652 17605.5967 0.0000 0.0000 34311.1879 -148986.6945 299.6481 -183297.8824 -148894.4283 299.9118 -143.8536 -115.1870 559397.6564 -16.9334 -16.7979 PRESSURE: 1504200 -170.711 68.7773 122.778 68.7779 172.854 -72.0465 122.777 -72.0474 153.201 GPRESSURE: 1504200 -193.44 31.7169 189.537 62.3575 240.75 -111.934 87.286 -35.5966 203.125 PRESSAVG: 1504200 -43.0142 -24.111 41.4977 -24.1111 -7.40734 31.952 41.4976 31.952 34.1207 GPRESSAVG: 1504200 -42.8329 -23.0994 40.3433 -21.5137 -6.19357 34.8359 40.8898 29.9815 33.3945 TIMING: 1504200 CPU: 4368.77, 0.00293184/step Wall: 4368.77, 0.00293183/step, 2.84697 hours remaining, 206.734375 MB of memory in use. ENERGY: 1504200 722.4718 2080.9105 1953.6153 116.7453 -206307.7235 17960.1222 0.0000 0.0000 34355.9066 -149117.9519 300.0387 -183473.8585 -149011.5543 299.6028 51.7812 83.4783 559215.7036 -5.4336 -5.2106 LDB: ============= START OF LOAD BALANCING ============== 4372.24 LDB: ============== END OF LOAD BALANCING =============== 4372.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4372.24 LDB: ============= START OF LOAD BALANCING ============== 4372.53 LDB: Largest compute 4821 load 0.029410 is 25.0% of average load 0.117680 LDB: Average compute 0.001731 is 1.5% of average load 0.117680 LDB: TIME 4372.54 LOAD: AVG 0.11768 MAX 0.178824 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 4372.54 LOAD: AVG 0.11768 MAX 0.178824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: TIME 4372.54 LOAD: AVG 0.11768 MAX 0.178824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: ============== END OF LOAD BALANCING =============== 4372.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4372.54 PRESSURE: 1504400 -199.927 -83.7917 132.63 -83.792 -149.546 3.22146 132.631 3.22271 -146.19 GPRESSURE: 1504400 -139.29 -144.313 44.9472 -63.0784 -145.035 113.33 255.267 -90.7552 -127.96 PRESSAVG: 1504400 -73.9149 -24.3549 16.4291 -24.3549 63.6479 10.6727 16.429 10.6727 31.6686 GPRESSAVG: 1504400 -73.4868 -24.8147 17.8271 -26.5145 62.7352 10.2712 17.0882 10.1499 31.7867 TIMING: 1504400 CPU: 4369.37, 0.00296823/step Wall: 4369.37, 0.00296823/step, 2.88216 hours remaining, 206.066406 MB of memory in use. ENERGY: 1504400 751.6200 2085.4217 1952.7973 112.8638 -205821.9816 17600.4940 0.0000 0.0000 34155.0465 -149163.7382 298.2845 -183318.7847 -149079.3160 299.3885 -165.2208 -137.4282 558206.1931 7.1338 7.0117 PRESSURE: 1504600 -197.802 -23.4666 187.051 -23.4663 8.0873 9.63132 187.05 9.6305 -100.685 GPRESSURE: 1504600 -88.9392 12.3512 167.37 -54.3618 30.0202 -39.0074 232.4 27.4874 -135.595 PRESSAVG: 1504600 -25.6812 -15.9991 -4.85827 -15.9991 65.2443 7.52033 -4.8582 7.5204 -60.5811 GPRESSAVG: 1504600 -25.4781 -15.1338 -5.47537 -16.5621 65.2663 8.06603 -2.82852 6.69139 -61.1438 TIMING: 1504600 CPU: 4369.95, 0.00291024/step Wall: 4369.95, 0.00291024/step, 2.82568 hours remaining, 206.136719 MB of memory in use. ENERGY: 1504600 729.5657 2086.0901 1952.3570 119.0450 -206194.2340 17784.3674 0.0000 0.0000 34402.4815 -149120.3274 300.4454 -183522.8089 -149029.2397 298.8592 -96.7999 -64.8381 557180.5068 -7.0060 -7.1185 PRESSURE: 1504800 -83.9308 32.1303 -167.955 32.1306 86.7372 -166.201 -167.955 -166.201 -240.415 GPRESSURE: 1504800 -34.8857 48.0828 -230.88 -56.287 86.534 -160.277 -169.364 -120.502 -191.125 PRESSAVG: 1504800 -9.40801 -59.9699 45.7551 -59.9699 60.109 -60.0973 45.755 -60.0973 -65.0313 GPRESSAVG: 1504800 -10.2796 -60.8851 44.361 -59.2759 59.4703 -60.6781 43.1084 -57.887 -64.3325 TIMING: 1504800 CPU: 4370.53, 0.00290778/step Wall: 4370.53, 0.00290778/step, 2.82313 hours remaining, 206.136719 MB of memory in use. ENERGY: 1504800 739.4229 2042.0104 1964.4789 110.3875 -205989.1841 17671.6607 0.0000 0.0000 34264.6809 -149196.5428 299.2420 -183461.2237 -149098.1865 299.3525 -79.2027 -46.4924 558475.9903 -4.7768 -5.0473 PRESSURE: 1505000 -35.4115 -72.6081 -105.577 -72.6092 -350.163 35.7597 -105.576 35.7595 42.831 GPRESSURE: 1505000 -19.8435 -32.4836 -81.0719 -89.3528 -311.704 51.7623 -113.365 -11.6898 94.4347 PRESSAVG: 1505000 -2.66712 -48.1417 -32.8222 -48.1418 -63.7614 -26.0144 -32.8223 -26.0144 28.4739 GPRESSAVG: 1505000 -3.49792 -46.3127 -31.6547 -47.6431 -64.13 -25.8419 -32.3979 -28.3008 28.6722 TIMING: 1505000 CPU: 4371.11, 0.00290579/step Wall: 4371.11, 0.00290579/step, 2.82104 hours remaining, 206.136719 MB of memory in use. ENERGY: 1505000 706.6304 2084.5661 1964.8985 112.6051 -206052.8661 17729.3135 0.0000 0.0000 34153.9711 -149300.8813 298.2751 -183454.8525 -149201.9084 299.1087 -114.2478 -79.0374 557684.6502 -12.6515 -12.9853 PRESSURE: 1505200 37.3399 190.499 -102.582 190.498 -58.4084 117.563 -102.582 117.563 126.359 GPRESSURE: 1505200 78.845 162.303 -171.171 178.538 -23.7081 94.9544 -56.3712 249.472 148.187 PRESSAVG: 1505200 57.4633 -3.08791 51.6862 -3.08805 -66.7149 8.71964 51.6863 8.7197 11.2651 GPRESSAVG: 1505200 58.0034 -5.34011 52.7817 -3.69337 -66.6939 7.08554 51.3038 11.1639 10.7887 TIMING: 1505200 CPU: 4371.69, 0.00287967/step Wall: 4371.69, 0.00287967/step, 2.79552 hours remaining, 206.136719 MB of memory in use. ENERGY: 1505200 738.1426 2106.2690 1968.6320 118.3791 -206364.4640 17845.0913 0.0000 0.0000 34182.4525 -149405.4977 298.5239 -183587.9502 -149305.1573 298.6182 35.0968 67.7748 557770.7158 0.6711 0.6994 PRESSURE: 1505400 20.7232 22.4203 -21.2684 22.4208 98.3263 -10.6108 -21.2668 -10.611 74.1388 GPRESSURE: 1505400 84.9721 58.8401 -15.3242 67.4628 85.258 -72.5061 -12.6197 -9.16363 111.691 PRESSAVG: 1505400 -31.7203 63.9696 6.58088 63.9695 -39.5158 16.5508 6.58091 16.5509 32.328 GPRESSAVG: 1505400 -32.5843 65.2052 7.17113 65.0501 -40.2455 16.1685 6.53564 17.8724 33.4628 TIMING: 1505400 CPU: 4372.27, 0.00289605/step Wall: 4372.27, 0.00289605/step, 2.81126 hours remaining, 206.136719 MB of memory in use. ENERGY: 1505400 736.5158 2060.9783 1941.9908 120.0036 -206602.6080 18025.3147 0.0000 0.0000 34429.7228 -149288.0821 300.6833 -183717.8049 -149186.1253 298.6359 64.3961 93.9736 556956.4613 -12.9694 -13.1223 PRESSURE: 1505600 111.37 -10.9325 -117.263 -10.9332 26.3366 169.264 -117.262 169.263 26.5029 GPRESSURE: 1505600 120.02 3.20755 -187.406 27.1337 118.102 195.488 -125.725 193.653 15.99 PRESSAVG: 1505600 -27.1881 10.5294 -12.748 10.5294 -19.9277 11.4784 -12.748 11.4785 56.1329 GPRESSAVG: 1505600 -25.4475 10.4732 -13.2171 10.1588 -18.8236 12.0055 -12.0405 10.328 53.7552 TIMING: 1505600 CPU: 4372.85, 0.00289275/step Wall: 4372.85, 0.00289275/step, 2.8079 hours remaining, 206.136719 MB of memory in use. ENERGY: 1505600 765.4008 2075.5227 1967.1038 113.3233 -206223.8217 17884.2220 0.0000 0.0000 34089.5505 -149328.6986 297.7125 -183418.2491 -149231.1140 299.4033 54.7366 84.7042 557895.9362 3.0057 3.1614 PRESSURE: 1505800 -213.988 -100.109 76.7243 -100.109 -121.355 -173.109 76.7242 -173.107 -210.63 GPRESSURE: 1505800 -146.095 -101.224 5.75634 -67.9951 -142.365 -173.772 124.748 -66.395 -151.257 PRESSAVG: 1505800 39.5557 -18.9059 26.1946 -18.9059 -17.4445 8.32336 26.1945 8.3234 15.9149 GPRESSAVG: 1505800 40.128 -19.0275 25.321 -19.8641 -18.5224 8.09569 25.8724 8.34399 16.8768 TIMING: 1505800 CPU: 4373.42, 0.00289089/step Wall: 4373.42, 0.00289089/step, 2.80593 hours remaining, 206.136719 MB of memory in use. ENERGY: 1505800 739.4442 2005.9642 1939.4726 109.0834 -206302.6237 17807.1192 0.0000 0.0000 34197.3393 -149504.2007 298.6539 -183701.5401 -149399.8867 298.1724 -181.9908 -146.5725 558836.1948 12.6754 12.8274 PRESSURE: 1506000 3.12916 222.917 27.0757 222.916 -187.129 43.8105 27.074 43.8116 11.8438 GPRESSURE: 1506000 25.6213 254.735 -50.3775 140.97 -119.606 25.5161 81.7082 100.817 13.6009 PRESSAVG: 1506000 -41.5818 -66.408 34.4622 -66.408 -6.34445 -39.8415 34.462 -39.8414 18.2806 GPRESSAVG: 1506000 -43.3556 -67.1332 33.3248 -63.4194 -4.64069 -39.9369 34.664 -40.5807 18.4275 TIMING: 1506000 CPU: 4374.01, 0.00291713/step Wall: 4374.01, 0.00291713/step, 2.83123 hours remaining, 206.136719 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: 1506000 732.2514 2074.3312 1939.5094 125.3991 -205841.8772 17622.3645 0.0000 0.0000 33878.5189 -149469.5029 295.8695 -183348.0218 -149374.8263 298.0645 -57.3854 -26.7945 557820.9075 -9.8819 -9.8563 PRESSURE: 1506200 -345.131 -107.076 0.0585878 -107.076 -172.31 77.6424 0.0592227 77.6431 -186.583 GPRESSURE: 1506200 -242.607 -137.964 38.83 -39.6358 -146.904 35.5187 -31.9852 160.275 -233.564 PRESSAVG: 1506200 37.9407 5.8996 -42.8208 5.89967 17.9886 -16.4965 -42.8207 -16.4965 -57.2804 GPRESSAVG: 1506200 38.3906 8.66328 -41.0268 4.32742 17.8007 -16.2031 -45.5331 -18.2398 -57.2484 TIMING: 1506200 CPU: 4374.59, 0.00289585/step Wall: 4374.59, 0.00289585/step, 2.81042 hours remaining, 206.339844 MB of memory in use. ENERGY: 1506200 771.1843 2084.8908 1942.5775 105.2436 -205800.7595 17550.3078 0.0000 0.0000 33907.4547 -149439.1007 296.1222 -183346.5555 -149342.2758 298.2989 -234.6746 -207.6917 558320.5646 -0.4504 -0.3524 PRESSURE: 1506400 -15.7357 11.3898 100.997 11.3892 -256.662 -114.709 100.998 -114.709 -69.5617 GPRESSURE: 1506400 10.5817 -30.4396 155.407 63.3505 -229.374 -88.6937 78.4746 -190.691 -25.1163 PRESSAVG: 1506400 -0.213053 -1.81828 13.4014 -1.81835 25.2522 36.4042 13.4015 36.4042 -49.7542 GPRESSAVG: 1506400 0.637742 -2.67949 13.5155 -2.35915 23.2856 37.5928 15.0841 36.5163 -49.2169 TIMING: 1506400 CPU: 4375.17, 0.00289607/step Wall: 4375.17, 0.00289607/step, 2.81047 hours remaining, 206.339844 MB of memory in use. ENERGY: 1506400 748.3961 2027.2932 1951.9681 113.3250 -206331.0440 17864.8491 0.0000 0.0000 34208.8727 -149416.3398 298.7546 -183625.2125 -149323.8220 297.9345 -113.9865 -81.3029 557036.1389 -8.2384 -8.4312 PRESSURE: 1506600 -14.3037 -24.4481 -170.913 -24.4482 -174.001 213.976 -170.912 213.976 -233.885 GPRESSURE: 1506600 20.2382 -25.7726 -133.792 -44.4832 -114.021 265.853 -192.337 155.847 -229.8 PRESSAVG: 1506600 -0.717344 17.0928 -9.58616 17.0929 75.2424 34.5574 -9.58618 34.5574 -27.3646 GPRESSAVG: 1506600 -0.601241 17.701 -8.00632 15.7005 76.4637 33.5269 -9.34288 35.4445 -29.1669 TIMING: 1506600 CPU: 4375.74, 0.00289836/step Wall: 4375.74, 0.00289836/step, 2.81254 hours remaining, 206.339844 MB of memory in use. ENERGY: 1506600 739.3967 2089.8612 1975.2185 116.0032 -206223.8748 17639.0813 0.0000 0.0000 34354.2896 -149310.0245 300.0246 -183664.3140 -149211.3714 299.4908 -140.7300 -107.8612 556898.4677 15.7201 15.5652 PRESSURE: 1506800 20.3874 -43.3255 -276.516 -43.325 -93.404 115.042 -276.516 115.04 73.7531 GPRESSURE: 1506800 17.4558 -36.6514 -271.406 -55.2056 -36.6692 70.3486 -321.415 80.0785 119.943 PRESSAVG: 1506800 9.44 39.9345 -57.9718 39.9345 4.59256 23.5276 -57.9718 23.5275 -13.4851 GPRESSAVG: 1506800 9.27901 38.5617 -59.2182 40.689 3.94813 25.4375 -58.019 23.213 -12.6937 TIMING: 1506800 CPU: 4376.33, 0.00291201/step Wall: 4376.33, 0.00291201/step, 2.82562 hours remaining, 206.339844 MB of memory in use. ENERGY: 1506800 704.2263 2079.6484 1959.4036 132.9193 -206440.6397 18024.8439 0.0000 0.0000 34129.5004 -149410.0979 298.0614 -183539.5982 -149306.3683 298.4835 0.2455 33.5765 556971.7270 0.1825 0.1778 PRESSURE: 1507000 108.801 194.071 70.1367 194.071 139.119 -27.9973 70.1366 -27.9985 214.367 GPRESSURE: 1507000 139.763 146.728 146.214 267.158 177.741 -94.4609 63.2198 -12.9819 229.113 PRESSAVG: 1507000 -15.7191 24.7164 28.4678 24.7164 14.0803 27.053 28.4678 27.053 -8.64986 GPRESSAVG: 1507000 -16.4259 26.0221 26.8359 23.7441 14.648 27.0167 29.6835 26.6244 -8.29082 TIMING: 1507000 CPU: 4376.91, 0.00289082/step Wall: 4376.91, 0.00289082/step, 2.80489 hours remaining, 206.339844 MB of memory in use. ENERGY: 1507000 723.0735 2045.4333 1921.3889 101.4269 -206515.5560 18284.8957 0.0000 0.0000 33999.8577 -149439.4801 296.9292 -183439.3378 -149336.0777 297.7445 154.0953 182.2057 558408.9270 -3.4296 -3.3562 PRESSURE: 1507200 -319.713 -6.3162 -184.659 -6.3141 -182.318 -106.796 -184.66 -106.798 -257.098 GPRESSURE: 1507200 -306.116 -91.1452 -180.911 74.1075 -162.145 -141.667 -146.482 -62.4213 -181.465 PRESSAVG: 1507200 -2.83085 2.79807 -40.5278 2.79812 -26.0779 22.6521 -40.5277 22.652 18.1149 GPRESSAVG: 1507200 -3.16396 0.985483 -39.7991 4.89571 -25.7772 21.5201 -41.6321 21.8314 18.2426 TIMING: 1507200 CPU: 4377.48, 0.00288678/step Wall: 4377.48, 0.00288678/step, 2.80082 hours remaining, 206.339844 MB of memory in use. ENERGY: 1507200 744.8535 2080.9713 1950.8065 115.8805 -206323.3811 17807.7671 0.0000 0.0000 34256.6079 -149366.4944 299.1715 -183623.1023 -149277.5859 298.8809 -253.0428 -216.5754 558793.7137 -3.5980 -3.5662 PRESSURE: 1507400 -244.286 -6.8503 -135.612 -6.851 60.7535 -148.841 -135.612 -148.84 -8.37373 GPRESSURE: 1507400 -232.614 93.0885 -143.44 -38.8612 78.4918 -51.301 -41.8725 -157.342 52.3835 PRESSAVG: 1507400 32.2098 40.8632 57.5843 40.8632 16.6444 -11.6829 57.5843 -11.6829 -20.1339 GPRESSAVG: 1507400 32.8182 41.6133 56.919 40.1622 15.8762 -10.4931 58.4259 -11.6487 -20.4194 TIMING: 1507400 CPU: 4378.06, 0.00289046/step Wall: 4378.06, 0.00289046/step, 2.80423 hours remaining, 206.339844 MB of memory in use. ENERGY: 1507400 723.8069 2094.9487 1946.8397 118.1494 -206065.4465 17693.3828 0.0000 0.0000 34129.7507 -149358.5683 298.0636 -183488.3190 -149254.3195 299.2092 -63.9688 -33.9128 558697.5766 9.5734 9.4250 PRESSURE: 1507600 72.8119 65.091 -105.054 65.0905 -18.0501 271.562 -105.054 271.564 -93.0776 GPRESSURE: 1507600 100.482 16.4002 -57.3188 4.06237 -18.4739 231.12 -181.554 303.644 -25.4707 PRESSAVG: 1507600 -20.0601 8.54054 -63.0254 8.54056 5.37533 21.7681 -63.0253 21.768 -8.84091 GPRESSAVG: 1507600 -19.8256 7.62957 -63.7831 8.79996 6.16857 20.6963 -62.8514 25.794 -9.91767 TIMING: 1507600 CPU: 4378.64, 0.00287982/step Wall: 4378.64, 0.00287982/step, 2.79375 hours remaining, 206.339844 MB of memory in use. ENERGY: 1507600 754.5014 2110.6959 1981.4896 111.0375 -206262.8976 17887.0314 0.0000 0.0000 34181.8896 -149236.2522 298.5189 -183418.1418 -149143.6413 298.9824 -12.7719 18.8457 557089.8983 -7.8419 -7.8582 PRESSURE: 1507800 -67.3966 23.0425 62.4366 23.044 -327.356 155.189 62.4365 155.189 93.3133 GPRESSURE: 1507800 -46.6565 -11.6243 112.55 50.4198 -231.7 132.079 65.1044 202.871 47.7399 PRESSAVG: 1507800 62.7792 37.5683 35.2085 37.5683 -85.5492 24.7221 35.2085 24.7221 9.05164 GPRESSAVG: 1507800 62.4753 37.7359 37.461 37.8337 -85.6421 26.6151 33.6709 22.2141 9.52476 TIMING: 1507800 CPU: 4379.22, 0.00291056/step Wall: 4379.22, 0.00291056/step, 2.8234 hours remaining, 206.339844 MB of memory in use. ENERGY: 1507800 731.5199 2052.2888 1990.7067 104.3615 -205766.8607 17400.0686 0.0000 0.0000 34424.7169 -149063.1981 300.6396 -183487.9151 -148961.7942 299.9989 -100.4797 -76.8722 556627.4159 -4.5728 -4.5473 PRESSURE: 1508000 108.703 186.503 24.5334 186.503 317.437 202.451 24.5353 202.45 227.844 GPRESSURE: 1508000 171.549 250.222 3.27056 115.238 307.34 182.127 85.9622 196.787 267.466 PRESSAVG: 1508000 -23.9216 44.3256 9.4193 44.3256 5.8013 24.2571 9.41927 24.2571 32.1347 GPRESSAVG: 1508000 -22.7261 44.5061 8.64101 41.7525 4.3094 22.2789 10.1938 25.2718 32.6251 TIMING: 1508000 CPU: 4379.8, 0.00291555/step Wall: 4379.8, 0.00291555/step, 2.82809 hours remaining, 206.339844 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: 1508000 699.9915 2119.3989 1956.9659 115.7618 -206134.2363 17963.4348 0.0000 0.0000 34307.4781 -148971.2053 299.6157 -183278.6834 -148869.7388 300.1725 217.9943 248.7850 557580.6494 4.6715 4.7361 PRESSURE: 1508200 -261.727 58.2259 -21.1059 58.2252 213.553 -88.308 -21.1047 -88.3075 -98.9459 GPRESSURE: 1508200 -211.794 -15.1117 -74.4448 71.6091 301.324 -31.174 -11.0543 -152.588 -133.378 PRESSAVG: 1508200 -20.4742 11.1744 42.0519 11.1745 -7.08569 -21.7864 42.0519 -21.7865 26.3048 GPRESSAVG: 1508200 -21.1223 12.8339 42.4692 13.5523 -5.91318 -20.5204 40.8492 -23.4226 25.9395 TIMING: 1508200 CPU: 4380.38, 0.00291431/step Wall: 4380.38, 0.00291431/step, 2.82672 hours remaining, 206.339844 MB of memory in use. ENERGY: 1508200 748.4286 2044.7796 1951.7784 112.0122 -206316.6588 17766.6090 0.0000 0.0000 34605.7384 -149087.3126 302.2205 -183693.0510 -148987.0768 299.7361 -49.0398 -14.6158 558017.1811 -0.4183 -0.3653 LDB: ============= START OF LOAD BALANCING ============== 4383.85 LDB: ============== END OF LOAD BALANCING =============== 4383.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4383.85 LDB: ============= START OF LOAD BALANCING ============== 4384.14 LDB: Largest compute 4821 load 0.030280 is 25.7% of average load 0.117642 LDB: Average compute 0.001729 is 1.5% of average load 0.117642 LDB: TIME 4384.15 LOAD: AVG 0.117642 MAX 0.178967 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.523 MB LDB: TIME 4384.15 LOAD: AVG 0.117642 MAX 0.178967 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.531 MB LDB: TIME 4384.15 LOAD: AVG 0.117642 MAX 0.178967 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.531 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4384.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4384.15 PRESSURE: 1508400 -158.583 -14.2963 6.9355 -14.2951 -80.2789 -32.0443 6.93662 -32.0454 -221.867 GPRESSURE: 1508400 -111.842 -56.0498 -24.1555 -16.8492 -66.0577 -16.3137 -27.0592 -28.1969 -181.172 PRESSAVG: 1508400 10.2929 -35.6342 -48.5092 -35.6342 11.6064 15.1979 -48.5092 15.198 -49.2994 GPRESSAVG: 1508400 10.6451 -37.9411 -49.2313 -35.332 10.9509 12.2163 -47.8264 17.5601 -49.3709 TIMING: 1508400 CPU: 4380.98, 0.00295828/step Wall: 4380.98, 0.00295828/step, 2.8692 hours remaining, 204.980469 MB of memory in use. ENERGY: 1508400 753.2872 2092.5551 1945.2326 132.4431 -205832.4227 17507.4741 0.0000 0.0000 34439.0660 -148962.3648 300.7649 -183401.4307 -148858.8884 299.7333 -153.5764 -119.6906 557036.4448 -9.1333 -9.2583 PRESSURE: 1508600 -115.287 -12.0137 108.179 -12.0134 224.384 -106.978 108.181 -106.977 169.813 GPRESSURE: 1508600 -52.1248 34.4696 122.544 25.0481 230.302 -144.817 50.1174 -38.3995 195.058 PRESSAVG: 1508600 -39.9606 31.7329 -2.52411 31.7328 36.6977 -1.14376 -2.52402 -1.14368 -23.7787 GPRESSAVG: 1508600 -41.4381 31.6994 -1.81933 32.5178 38.9116 -1.35343 -3.71285 -3.01845 -23.9704 TIMING: 1508600 CPU: 4381.56, 0.00291091/step Wall: 4381.56, 0.00291091/step, 2.82309 hours remaining, 205.050781 MB of memory in use. ENERGY: 1508600 761.3991 2136.5552 1934.8748 105.1303 -206370.1693 18078.6017 0.0000 0.0000 34275.9528 -149077.6554 299.3404 -183353.6082 -148979.1770 299.8590 92.9702 124.4115 557562.6708 -9.0139 -8.8323 PRESSURE: 1508800 -279.863 86.672 -79.6789 86.6714 -132.918 42.3247 -79.6786 42.326 -392.686 GPRESSURE: 1508800 -263.219 83.1858 -121.025 1.61192 -61.5351 39.2995 -58.8839 93.9211 -380.868 PRESSAVG: 1508800 1.41123 30.366 -47.4226 30.366 10.4124 37.3523 -47.4225 37.3523 -42.0178 GPRESSAVG: 1508800 2.22922 32.2852 -47.8192 27.3338 9.08908 37.5864 -46.7752 37.0236 -41.9246 TIMING: 1508800 CPU: 4382.14, 0.00290275/step Wall: 4382.14, 0.00290275/step, 2.81502 hours remaining, 205.050781 MB of memory in use. ENERGY: 1508800 751.4097 2079.2717 1927.1004 132.7015 -205753.3251 17482.9963 0.0000 0.0000 34335.9768 -149043.8688 299.8646 -183379.8455 -148943.7809 300.0018 -268.4892 -235.2072 557717.5809 -10.0647 -10.2021 PRESSURE: 1509000 -201.851 -109.783 -103.652 -109.783 -215.957 43.33 -103.653 43.3302 -134.103 GPRESSURE: 1509000 -173.314 -160.321 -105.587 -105.415 -144.477 -39.077 -54.6128 96.8437 -141.577 PRESSAVG: 1509000 -24.6561 -31.3852 -32.346 -31.3852 71.134 -14.625 -32.346 -14.6251 -38.529 GPRESSAVG: 1509000 -24.508 -31.7177 -33.3976 -30.9969 70.949 -14.383 -30.9121 -12.8488 -38.5008 TIMING: 1509000 CPU: 4382.72, 0.00290029/step Wall: 4382.72, 0.00290029/step, 2.81248 hours remaining, 205.089844 MB of memory in use. ENERGY: 1509000 785.2006 2070.8168 1938.3084 104.2299 -205635.9227 17478.0439 0.0000 0.0000 34068.6362 -149190.6869 297.5299 -183259.3232 -149094.5683 299.3121 -183.9701 -153.1231 556919.0114 2.6496 2.6468 PRESSURE: 1509200 35.8344 -24.8061 -136.807 -24.8056 -32.8807 5.02959 -136.806 5.03001 -185.166 GPRESSURE: 1509200 47.653 -29.3277 -61.2094 -46.7445 -22.5792 71.5212 -166.589 45.8904 -103.025 PRESSAVG: 1509200 13.4587 -64.1999 3.8978 -64.1999 -13.0487 50.6369 3.89779 50.6369 19.8423 GPRESSAVG: 1509200 13.0607 -65.9725 4.14188 -62.0894 -13.3358 49.9698 2.05737 48.9442 20.4061 TIMING: 1509200 CPU: 4383.3, 0.00289329/step Wall: 4383.3, 0.00289329/step, 2.80553 hours remaining, 205.089844 MB of memory in use. ENERGY: 1509200 729.3352 2045.0091 1931.0043 117.3862 -205846.5631 17647.3482 0.0000 0.0000 34146.8012 -149229.6790 298.2125 -183376.4801 -149134.5326 298.8413 -60.7373 -25.9838 558217.1444 6.7508 6.7103 PRESSURE: 1509400 -139.197 7.71631 19.9579 7.71646 -122.008 -95.4862 19.9576 -95.4856 -349.98 GPRESSURE: 1509400 -125.792 -14.8957 99.1633 52.9324 -83.4086 -145.929 -59.8647 -159.943 -307.764 PRESSAVG: 1509400 49.4751 -2.48043 45.5931 -2.48042 -38.4161 19.4061 45.5931 19.406 -48.3903 GPRESSAVG: 1509400 49.1701 -0.861029 44.1198 -3.79509 -38.3338 20.667 47.1711 19.5151 -48.558 TIMING: 1509400 CPU: 4383.88, 0.00291068/step Wall: 4383.88, 0.00291068/step, 2.82222 hours remaining, 205.089844 MB of memory in use. ENERGY: 1509400 701.7470 2074.6387 1929.4735 122.1218 -205412.1724 17310.0142 0.0000 0.0000 34198.6263 -149075.5509 298.6651 -183274.1773 -148983.0193 299.5893 -203.7286 -172.3215 557482.1899 -12.4438 -12.5739 PRESSURE: 1509600 -369.833 -19.6969 186.437 -19.6976 -70.418 64.7714 186.437 64.7725 -198.584 GPRESSURE: 1509600 -363.065 -92.5608 142.392 53.4348 -27.4522 75.8196 187.385 103.327 -152.393 PRESSAVG: 1509600 69.4164 29.6604 18.1653 29.6604 2.93117 68.5728 18.1653 68.573 -47.7876 GPRESSAVG: 1509600 70.7052 29.6938 18.3233 29.2443 1.51926 69.1395 17.5329 69.6544 -48.0785 TIMING: 1509600 CPU: 4384.46, 0.00290553/step Wall: 4384.46, 0.00290553/step, 2.81708 hours remaining, 205.089844 MB of memory in use. ENERGY: 1509600 758.2071 2034.7092 1953.2516 104.9069 -206199.3566 17639.6641 0.0000 0.0000 34302.0358 -149406.5819 299.5682 -183708.6177 -149309.6337 298.8834 -212.9451 -180.9702 558129.7357 8.1867 8.0486 PRESSURE: 1509800 -38.6687 -33.6492 -19.6741 -33.6508 -151.696 -37.8724 -19.6751 -37.8726 201.992 GPRESSURE: 1509800 -12.1425 -59.6401 17.3907 28.8191 -109.193 -12.0758 24.3468 -1.01525 233.74 PRESSAVG: 1509800 -11.0162 3.52406 20.0897 3.52402 6.47489 27.2616 20.0896 27.2616 -0.817059 GPRESSAVG: 1509800 -11.5246 2.58057 20.2483 4.24255 7.56354 26.2385 21.0473 27.7778 -0.494307 TIMING: 1509800 CPU: 4385.04, 0.0028982/step Wall: 4385.04, 0.0028982/step, 2.8098 hours remaining, 205.089844 MB of memory in use. ENERGY: 1509800 708.3963 2039.5214 1936.6835 120.7083 -206231.9015 17794.3714 0.0000 0.0000 34247.8623 -149384.3583 299.0951 -183632.2206 -149300.7904 297.7353 3.8757 37.4681 557492.7079 -1.7861 -1.4851 PRESSURE: 1510000 -168.552 71.3002 -187.598 71.3007 83.5684 92.6859 -187.598 92.6886 -80.0757 GPRESSURE: 1510000 -105.917 153.629 -132.464 47.6114 91.4317 69.1413 -273.285 110.075 -52.5694 PRESSAVG: 1510000 32.494 -0.690798 -32.1871 -0.690819 15.5181 -25.1129 -32.1871 -25.1129 -46.2002 GPRESSAVG: 1510000 32.6534 -0.776516 -31.2283 -0.189874 15.0656 -23.3113 -32.6229 -26.5362 -46.415 TIMING: 1510000 CPU: 4385.62, 0.00291423/step Wall: 4385.62, 0.00291423/step, 2.82518 hours remaining, 205.089844 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: 1510000 715.4530 2071.3054 1963.8404 113.8172 -205969.4273 17712.6443 0.0000 0.0000 34188.7336 -149203.6334 298.5787 -183392.3671 -149105.7864 298.4537 -55.0198 -22.3516 558656.9700 0.6040 0.4347 PRESSURE: 1510200 368.668 61.3132 -280.422 61.3137 -55.4954 268.2 -280.421 268.199 277.363 GPRESSURE: 1510200 360.75 94.2828 -213.009 -74.2158 28.2682 242.967 -235.541 210.02 303.117 PRESSAVG: 1510200 21.5333 -46.1428 -11.0289 -46.1428 -17.1616 31.4909 -11.0288 31.4909 -7.15611 GPRESSAVG: 1510200 20.7849 -46.7471 -10.7127 -47.6417 -17.2708 30.1029 -9.34373 30.5358 -6.42366 TIMING: 1510200 CPU: 4386.2, 0.00290502/step Wall: 4386.2, 0.00290502/step, 2.8161 hours remaining, 205.089844 MB of memory in use. ENERGY: 1510200 710.8650 2109.0525 1935.1687 113.0680 -206383.0839 18066.1942 0.0000 0.0000 34228.2681 -149220.4675 298.9240 -183448.7356 -149129.6453 299.0112 196.8454 230.7116 556598.3779 -0.9281 -0.9699 PRESSURE: 1510400 -286.547 126.601 -10.5271 126.601 100.698 -54.7148 -10.5277 -54.7151 -146.833 GPRESSURE: 1510400 -229.337 52.8898 -91.2611 184.225 112.543 -72.9747 60.0141 -84.6873 -111.909 PRESSAVG: 1510400 -36.243 -5.85329 -1.44998 -5.85334 30.0458 37.9983 -1.44991 37.9982 1.01831 GPRESSAVG: 1510400 -36.2359 -6.22122 -2.18172 -4.06398 31.2564 37.9015 -2.59255 37.6622 0.14022 TIMING: 1510400 CPU: 4386.79, 0.00291206/step Wall: 4386.79, 0.00291206/step, 2.82275 hours remaining, 205.089844 MB of memory in use. ENERGY: 1510400 697.1596 2046.6622 1919.4465 102.5223 -205865.7467 17527.3447 0.0000 0.0000 34409.1432 -149163.4683 300.5036 -183572.6116 -149066.1616 299.4720 -110.8937 -76.2343 558650.0794 -1.7263 -1.6131 PRESSURE: 1510600 -82.7645 59.9093 61.8012 59.9103 151.549 72.9036 61.8017 72.9033 -147.792 GPRESSURE: 1510600 -89.3984 67.6138 8.35664 63.5239 223.96 87.0517 71.1394 52.6467 -125.253 PRESSAVG: 1510600 59.4871 20.9873 -35.8509 20.9873 -12.0268 50.5418 -35.8508 50.5416 -0.426676 GPRESSAVG: 1510600 59.4945 21.3007 -34.7969 20.8038 -12.09 50.5979 -37.7167 53.3727 -1.23428 TIMING: 1510600 CPU: 4387.37, 0.00290114/step Wall: 4387.37, 0.00290114/step, 2.81201 hours remaining, 205.089844 MB of memory in use. ENERGY: 1510600 761.0785 2088.5981 1922.6399 109.1095 -206197.5531 17819.4778 0.0000 0.0000 34411.9417 -149084.7076 300.5280 -183496.6493 -148980.5164 299.0077 -26.3359 3.1028 558275.0754 15.6779 15.3901 PRESSURE: 1510800 71.779 -78.2717 12.0568 -78.2725 -88.5844 -179.332 12.0572 -179.332 3.75009 GPRESSURE: 1510800 102.817 -167.558 0.796942 -90.8768 -10.6084 -177.833 30.319 -229.4 -4.17539 PRESSAVG: 1510800 -39.5372 67.6612 5.07721 67.6612 -0.802259 48.7625 5.07721 48.7625 20.3905 GPRESSAVG: 1510800 -39.4968 69.0045 4.613 67.0194 -2.74747 48.2061 6.20177 47.8068 22.0991 TIMING: 1510800 CPU: 4387.95, 0.00289728/step Wall: 4387.95, 0.00289728/step, 2.80811 hours remaining, 205.089844 MB of memory in use. ENERGY: 1510800 780.6113 2131.1785 1927.4438 115.2912 -206183.5282 17880.8048 0.0000 0.0000 34247.9113 -149100.2874 299.0955 -183348.1987 -149005.7282 299.4206 -4.3518 29.3443 557834.5786 -6.6497 -6.7151 PRESSURE: 1511000 92.4071 -156.146 134.125 -156.147 -68.7849 -190.644 134.126 -190.646 -151.354 GPRESSURE: 1511000 190.75 -144.312 83.3848 -207.266 -85.0916 -113.099 82.906 -172.881 -136.078 PRESSAVG: 1511000 -6.92004 34.0097 5.65505 34.0097 35.19 -44.134 5.65503 -44.1339 -66.1387 GPRESSAVG: 1511000 -5.87502 33.4041 6.54763 33.3954 36.6105 -42.7885 5.23722 -43.8454 -68.5282 TIMING: 1511000 CPU: 4388.53, 0.00291569/step Wall: 4388.53, 0.0029157/step, 2.82579 hours remaining, 205.089844 MB of memory in use. ENERGY: 1511000 756.6753 2036.5547 1915.2630 115.9243 -205918.9041 17832.9556 0.0000 0.0000 34222.3870 -149039.1443 298.8726 -183261.5313 -148944.6233 299.1142 -42.5774 -10.1398 558468.0758 -12.6229 -12.5976 PRESSURE: 1511200 59.3019 -37.0119 -77.0013 -37.0116 273.117 -160.836 -77.0013 -160.836 1.5543 GPRESSURE: 1511200 37.839 -65.2692 -20.8333 56.5594 338.477 -142.886 -78.1431 -136.135 49.9595 PRESSAVG: 1511200 -12.0686 -38.6459 7.76402 -38.6458 69.8624 -82.2538 7.76413 -82.2538 -0.783879 GPRESSAVG: 1511200 -13.76 -38.3714 6.90287 -38.701 69.7059 -81.8068 6.73952 -81.2207 1.43886 TIMING: 1511200 CPU: 4389.11, 0.00290845/step Wall: 4389.11, 0.00290845/step, 2.81861 hours remaining, 205.089844 MB of memory in use. ENERGY: 1511200 742.1048 2064.2195 1979.0540 119.6612 -206668.3931 18074.4198 0.0000 0.0000 34533.6776 -149155.2563 301.5912 -183688.9339 -149062.6348 299.8458 111.3245 142.0919 557941.2339 19.0033 19.1282 PRESSURE: 1511400 -16.3357 -43.9255 83.4065 -43.9251 240.899 -138.41 83.4043 -138.41 158.039 GPRESSURE: 1511400 9.60621 -166.629 181.755 49.6781 265.222 -216.554 56.7541 -112.696 209.199 PRESSAVG: 1511400 -7.02291 -32.2444 26.0001 -32.2443 -27.6241 -41.9936 26.0001 -41.9936 62.752 GPRESSAVG: 1511400 -5.68445 -34.4913 26.3745 -30.9749 -27.8071 -43.2666 28.8526 -43.6992 61.6195 TIMING: 1511400 CPU: 4389.69, 0.00289782/step Wall: 4389.69, 0.00289782/step, 2.80815 hours remaining, 205.089844 MB of memory in use. ENERGY: 1511400 757.5462 2096.7997 1958.3687 105.4179 -206236.6220 17860.6708 0.0000 0.0000 34270.1940 -149187.6249 299.2901 -183457.8188 -149093.4043 299.9047 127.5343 161.3424 557130.4207 9.3683 9.3760 PRESSURE: 1511600 -151.778 110.092 -31.5966 110.093 -7.67873 162.783 -31.597 162.783 39.0046 GPRESSURE: 1511600 -122.34 22.4013 -110.611 45.7637 33.0066 170.084 -23.8881 106.944 70.8962 PRESSAVG: 1511600 -70.4591 -26.8794 -23.2131 -26.8794 28.6073 0.914264 -23.2131 0.914438 65.4179 GPRESSAVG: 1511600 -72.4778 -24.8671 -24.0239 -27.1378 30.4486 1.12313 -23.9679 1.3114 66.1348 TIMING: 1511600 CPU: 4390.27, 0.00289966/step Wall: 4390.27, 0.00289966/step, 2.80977 hours remaining, 205.089844 MB of memory in use. ENERGY: 1511600 742.2271 2033.7720 1965.5627 122.5831 -205927.0791 17757.8158 0.0000 0.0000 34201.8128 -149103.3056 298.6929 -183305.1184 -149011.6526 300.1302 -40.1506 -6.1457 557221.8820 7.8554 8.0352 PRESSURE: 1511800 -102.945 2.74923 -8.11006 2.749 21.1864 152.36 -8.10851 152.361 -195.013 GPRESSURE: 1511800 -38.5329 -60.2802 -38.63 -37.6118 -2.51071 67.6989 1.08672 200.824 -155.069 PRESSAVG: 1511800 -58.5249 -36.5817 -62.1247 -36.5815 67.8835 42.3479 -62.1246 42.3479 -35.8003 GPRESSAVG: 1511800 -57.7277 -38.6295 -62.1027 -35.5005 67.3164 44.487 -62.1645 39.9619 -36.1334 TIMING: 1511800 CPU: 4390.85, 0.00288339/step Wall: 4390.85, 0.00288339/step, 2.79385 hours remaining, 205.089844 MB of memory in use. ENERGY: 1511800 729.9385 2096.6745 1957.7413 106.9896 -205846.0358 17631.3089 0.0000 0.0000 34422.1713 -148901.2118 300.6174 -183323.3831 -148809.8090 299.7328 -92.2573 -65.3709 557723.0174 -8.8139 -8.8482 PRESSURE: 1512000 16.1518 7.09684 -202.114 7.09701 98.3181 266.67 -202.114 266.671 24.0599 GPRESSURE: 1512000 13.1707 47.3392 -171.855 5.75821 114.642 234.24 -226.205 227.24 97.0377 PRESSAVG: 1512000 -56.8146 6.94298 3.7899 6.94291 30.7067 33.02 3.78998 33.02 51.6963 GPRESSAVG: 1512000 -56.1207 10.7202 3.54693 4.13532 30.7672 31.7828 2.49823 36.1313 50.6507 TIMING: 1512000 CPU: 4391.43, 0.00291056/step Wall: 4391.43, 0.00291056/step, 2.82001 hours remaining, 205.089844 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: 1512000 758.8298 2055.9539 1953.8728 100.9141 -206020.6074 17833.7406 0.0000 0.0000 34359.1621 -148958.1341 300.0671 -183317.2962 -148863.3731 300.4014 46.1766 74.9500 557817.1781 8.5295 8.4324 PRESSURE: 1512200 -126.693 18.2518 179.383 18.2518 -5.85527 -57.0707 179.383 -57.0712 -206.142 GPRESSURE: 1512200 -108.247 6.75426 212.205 -16.6203 -19.3139 -85.3482 156.729 23.8988 -96.4463 PRESSAVG: 1512200 -86.1382 50.7865 -82.3613 50.7866 79.8381 33.4625 -82.3613 33.4624 -6.9007 GPRESSAVG: 1512200 -86.1876 51.0886 -82.4242 51.0269 78.3798 32.3072 -81.2982 33.3075 -5.31594 TIMING: 1512200 CPU: 4392.01, 0.00290441/step Wall: 4392.01, 0.00290441/step, 2.81389 hours remaining, 205.089844 MB of memory in use. ENERGY: 1512200 743.7038 2056.1989 1924.3670 102.9192 -205951.1246 17622.3105 0.0000 0.0000 34268.0260 -149233.5992 299.2712 -183501.6252 -149137.0701 299.4689 -112.8965 -74.6692 558251.6167 -4.4003 -4.3746 LDB: ============= START OF LOAD BALANCING ============== 4395.48 LDB: ============== END OF LOAD BALANCING =============== 4395.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4395.48 LDB: ============= START OF LOAD BALANCING ============== 4395.77 LDB: Largest compute 4821 load 0.030916 is 26.3% of average load 0.117612 LDB: Average compute 0.001730 is 1.5% of average load 0.117612 LDB: TIME 4395.77 LOAD: AVG 0.117612 MAX 0.176415 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.824 MB LDB: TIME 4395.77 LOAD: AVG 0.117612 MAX 0.176415 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.824 MB LDB: TIME 4395.77 LOAD: AVG 0.117612 MAX 0.176415 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4395.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4395.78 PRESSURE: 1512400 -242.708 -61.5993 -14.4795 -61.5999 -16.1146 -75.9106 -14.4781 -75.9108 26.73 GPRESSURE: 1512400 -227.364 -73.3931 72.1104 -106.841 55.2017 43.7521 -50.9024 -67.6363 44.7006 PRESSAVG: 1512400 -59.4901 -45.6796 -18.762 -45.6796 53.5132 -50.618 -18.7619 -50.6182 -8.18396 GPRESSAVG: 1512400 -59.4044 -46.8285 -18.9613 -46.5288 53.8907 -50.186 -17.4825 -50.8916 -8.13628 TIMING: 1512400 CPU: 4392.6, 0.0029553/step Wall: 4392.6, 0.00295529/step, 2.86302 hours remaining, 206.648438 MB of memory in use. ENERGY: 1512400 737.0876 2098.8310 1928.2214 112.5989 -206175.9707 17882.5348 0.0000 0.0000 34155.0731 -149261.6239 298.2847 -183416.6970 -149161.8228 298.8074 -77.3641 -42.4871 558972.6297 -4.7203 -4.5500 PRESSURE: 1512600 -10.6339 -22.2972 -41.9384 -22.2959 -203.607 -4.9226 -41.937 -4.92357 -372.311 GPRESSURE: 1512600 -10.4329 -208.006 -13.7652 -4.704 -173.705 -91.5562 -56.943 87.5434 -308.291 PRESSAVG: 1512600 -95.1645 13.4955 -14.9833 13.4954 86.1354 3.3218 -14.9833 3.32184 15.807 GPRESSAVG: 1512600 -94.9425 11.619 -13.8093 15.3713 87.0652 2.39243 -15.977 2.99942 14.3612 TIMING: 1512600 CPU: 4393.18, 0.00289732/step Wall: 4393.18, 0.00289732/step, 2.8067 hours remaining, 206.851562 MB of memory in use. ENERGY: 1512600 787.6091 2065.4358 1945.0470 107.1541 -205920.9477 17455.7532 0.0000 0.0000 34332.3217 -149227.6268 299.8327 -183559.9486 -149129.2853 299.0884 -195.5172 -164.1430 556911.9163 2.2593 2.1613 PRESSURE: 1512800 -253.348 76.9258 97.2921 76.9256 -75.5509 18.5457 97.293 18.545 -186.871 GPRESSURE: 1512800 -195.166 36.9498 90.4046 72.5123 -26.7737 60.0628 20.5497 -23.1444 -186.513 PRESSAVG: 1512800 -60.7797 1.18843 -65.1796 1.18846 62.2264 -3.13177 -65.1797 -3.13166 -14.3824 GPRESSAVG: 1512800 -60.6958 2.92445 -64.4294 1.76678 61.9314 -3.68313 -64.7479 -1.77057 -13.8824 TIMING: 1512800 CPU: 4393.76, 0.00287906/step Wall: 4393.76, 0.00287906/step, 2.78885 hours remaining, 206.851562 MB of memory in use. ENERGY: 1512800 744.6710 2032.2492 1936.9079 108.7738 -205882.2534 17467.5459 0.0000 0.0000 34340.5224 -149251.5831 299.9043 -183592.1056 -149155.0628 298.9729 -171.9233 -136.1509 557773.8045 -4.3119 -4.2156 PRESSURE: 1513000 -316.027 -104.972 -151.008 -104.973 -159.662 -67.8761 -151.008 -67.8747 -205.175 GPRESSURE: 1513000 -281.213 -112.423 -230.161 -200.544 -129.313 -86.669 -96.3588 -20.9164 -179.547 PRESSAVG: 1513000 16.3725 11.8506 -3.06834 11.8506 13.4975 34.9897 -3.06834 34.9896 -37.3389 GPRESSAVG: 1513000 15.9101 10.9422 -5.84625 12.6973 12.8423 37.249 -2.90862 31.3258 -36.7516 TIMING: 1513000 CPU: 4394.34, 0.00290078/step Wall: 4394.34, 0.00290078/step, 2.80973 hours remaining, 207.066406 MB of memory in use. ENERGY: 1513000 730.6442 2117.2832 1964.4492 117.7811 -205962.9992 17551.5877 0.0000 0.0000 34196.6416 -149284.6121 298.6478 -183481.2537 -149181.2316 299.3892 -226.9548 -196.6906 558875.8063 -2.4896 -2.6664 PRESSURE: 1513200 105.473 -26.6652 52.425 -26.6648 -60.8131 133.326 52.4246 133.327 -8.8432 GPRESSURE: 1513200 125.652 -23.3137 27.26 -34.505 -57.6193 145.886 109.216 87.3355 59.7635 PRESSAVG: 1513200 4.23815 -4.90438 8.73493 -4.90434 39.0291 -19.8562 8.73487 -19.8563 4.2784 GPRESSAVG: 1513200 3.08655 -4.72029 9.99143 -4.93807 41.1599 -18.962 9.5353 -18.9952 4.06221 TIMING: 1513200 CPU: 4394.92, 0.00290242/step Wall: 4394.92, 0.00290242/step, 2.81116 hours remaining, 207.066406 MB of memory in use. ENERGY: 1513200 716.2250 2052.5401 1969.9223 121.4107 -206053.6069 17708.9624 0.0000 0.0000 34302.6556 -149181.8908 299.5736 -183484.5463 -149088.4024 300.0671 11.9389 42.5986 558640.0156 15.8486 16.1029 PRESSURE: 1513400 112.097 66.7198 -157.674 66.7212 8.09741 -0.111852 -157.674 -0.112958 109.614 GPRESSURE: 1513400 134.861 46.0994 -244.741 110.937 79.226 6.87398 -129.24 -19.2398 118.81 PRESSAVG: 1513400 -8.19494 62.5803 -45.248 62.5803 80.379 49.7904 -45.248 49.7903 -46.1699 GPRESSAVG: 1513400 -6.37051 63.2558 -45.0769 59.0941 79.1417 48.3879 -47.2625 51.4307 -46.3667 TIMING: 1513400 CPU: 4395.5, 0.00290247/step Wall: 4395.5, 0.00290247/step, 2.81104 hours remaining, 207.066406 MB of memory in use. ENERGY: 1513400 740.6577 2129.1908 1983.1879 124.8586 -206453.0837 17930.5627 0.0000 0.0000 34386.5440 -149158.0818 300.3062 -183544.6259 -149062.7115 299.9884 76.6027 110.9656 557342.7542 8.6714 8.8015 PRESSURE: 1513600 46.4965 -96.6533 -105.032 -96.6529 62.4888 7.28799 -105.032 7.28717 89.2911 GPRESSURE: 1513600 62.761 16.7898 -128.372 -130.883 129.01 6.65534 -61.2487 23.5125 113.76 PRESSAVG: 1513600 -54.6321 8.68668 -21.8009 8.68679 75.3334 20.9467 -21.801 20.9467 -34.3481 GPRESSAVG: 1513600 -55.5736 8.80935 -20.0141 9.35546 76.0019 21.1279 -22.8805 19.5895 -34.3964 TIMING: 1513600 CPU: 4396.08, 0.00289939/step Wall: 4396.08, 0.00289939/step, 2.8079 hours remaining, 207.066406 MB of memory in use. ENERGY: 1513600 731.7839 2106.6913 1953.7177 115.8843 -206236.5463 17826.1846 0.0000 0.0000 34547.8439 -148954.4405 301.7149 -183502.2845 -148852.2717 300.8263 66.0921 101.8437 557731.6313 -4.5489 -4.6561 PRESSURE: 1513800 -10.7669 -48.219 31.6632 -48.2204 -89.6129 200.385 31.6651 200.385 -63.0281 GPRESSURE: 1513800 45.5705 -196.077 96.7585 -16.2561 -104.35 174.933 41.2933 221.108 1.20138 PRESSAVG: 1513800 30.0453 -5.61288 18.2621 -5.61289 29.9377 60.8438 18.262 60.8439 -65.7976 GPRESSAVG: 1513800 29.8128 -5.72223 15.4565 -5.76077 29.5532 59.0936 21.1709 61.8276 -65.3144 TIMING: 1513800 CPU: 4396.66, 0.00289709/step Wall: 4396.66, 0.00289709/step, 2.80551 hours remaining, 207.066406 MB of memory in use. ENERGY: 1513800 787.5242 2153.8873 1944.0878 100.7555 -206024.1564 17912.9400 0.0000 0.0000 34208.2385 -148916.7231 298.7491 -183124.9616 -148824.1395 300.2970 -54.4693 -19.1927 558541.2031 -1.9382 -1.9828 PRESSURE: 1514000 -102.123 19.122 -109.635 19.1224 353.797 -9.65047 -109.635 -9.65216 163.486 GPRESSURE: 1514000 -72.6679 -21.4193 -178.025 -10.8628 396.757 -34.0963 -33.2317 49.7307 181.051 PRESSAVG: 1514000 -40.747 -8.10882 10.2703 -8.10881 26.7926 -27.8388 10.2703 -27.8389 -11.0678 GPRESSAVG: 1514000 -40.0727 -8.3588 13.5584 -7.49488 26.3029 -27.6796 8.15522 -28.4358 -11.5572 TIMING: 1514000 CPU: 4397.24, 0.00289619/step Wall: 4397.24, 0.00289619/step, 2.80448 hours remaining, 207.066406 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: 1514000 736.0284 2063.5269 1939.2587 110.8393 -206153.7794 17952.0131 0.0000 0.0000 34453.1545 -148898.9584 300.8880 -183352.1129 -148799.3538 299.5214 138.3868 168.3798 558617.3925 -8.3407 -8.4423 PRESSURE: 1514200 -45.2528 111.151 121.701 111.149 -191.655 124.292 121.701 124.292 -36.4252 GPRESSURE: 1514200 -42.7473 103.251 187.29 140.751 -162.797 25.3276 20.7866 201.975 37.8468 PRESSAVG: 1514200 -69.304 -26.0463 6.10325 -26.0463 -0.681267 49.1882 6.10325 49.1883 48.4083 GPRESSAVG: 1514200 -70.3424 -26.9309 3.87074 -25.4757 -1.66525 50.9791 5.27678 48.7798 50.7132 TIMING: 1514200 CPU: 4397.82, 0.00289405/step Wall: 4397.82, 0.00289405/step, 2.80225 hours remaining, 207.066406 MB of memory in use. ENERGY: 1514200 739.7147 2086.4079 1961.8810 108.4850 -205763.9240 17566.2565 0.0000 0.0000 34206.4708 -149094.7082 298.7336 -183301.1790 -148994.4413 300.2026 -91.1111 -55.8993 557739.6127 -7.1924 -7.0981 PRESSURE: 1514400 33.5539 -157.354 100.886 -157.354 -39.0883 70.1695 100.886 70.1681 96.5502 GPRESSURE: 1514400 39.9099 -163.173 79.9685 -112.486 -21.0485 36.4082 125.527 45.0062 159.997 PRESSAVG: 1514400 -10.6375 -26.4711 -0.701571 -26.471 -14.7107 0.0155559 -0.701582 0.0152963 45.7889 GPRESSAVG: 1514400 -11.1663 -26.565 0.0520493 -26.1439 -13.4786 -1.01588 0.020694 0.35467 44.9984 TIMING: 1514400 CPU: 4398.39, 0.00288073/step Wall: 4398.39, 0.00288073/step, 2.78919 hours remaining, 207.066406 MB of memory in use. ENERGY: 1514400 749.8921 2140.9115 1947.4125 116.0298 -205894.6373 17675.6932 0.0000 0.0000 34172.9486 -149091.7496 298.4409 -183264.6982 -149003.6496 299.4924 30.3386 59.6196 556330.7148 6.8136 6.7845 PRESSURE: 1514600 -153.217 -150.137 92.5481 -150.136 147.177 -23.8024 92.5476 -23.8009 223.392 GPRESSURE: 1514600 -67.9921 -125.86 191.066 -140.265 186.653 -40.5814 103.67 7.08117 196.149 PRESSAVG: 1514600 31.8458 -41.0764 -43.7214 -41.0764 11.5655 -2.1721 -43.7214 -2.17195 2.38234 GPRESSAVG: 1514600 33.3164 -41.2224 -44.726 -39.6751 12.2983 -2.68161 -44.7659 0.157124 0.226591 TIMING: 1514600 CPU: 4398.96, 0.0028567/step Wall: 4398.96, 0.0028567/step, 2.76576 hours remaining, 207.066406 MB of memory in use. ENERGY: 1514600 729.1982 2052.2133 1959.4855 122.9426 -206183.6822 17964.5679 0.0000 0.0000 34427.2396 -148928.0353 300.6616 -183355.2749 -148825.1106 299.8573 72.4507 104.9366 557825.9168 15.2645 15.2804 PRESSURE: 1514800 341.396 -12.0747 60.0961 -12.0744 5.33466 9.30211 60.0959 9.30087 91.7759 GPRESSURE: 1514800 341.668 11.7075 53.209 -140.739 47.2006 88.136 51.46 -30.2293 150.234 PRESSAVG: 1514800 21.165 10.7085 5.51669 10.7084 -23.7864 -6.69734 5.51667 -6.69725 -23.0854 GPRESSAVG: 1514800 19.853 11.7902 6.82469 8.04668 -23.8229 -5.07533 7.49555 -7.71221 -21.8972 TIMING: 1514800 CPU: 4399.54, 0.00289361/step Wall: 4399.54, 0.00289361/step, 2.80134 hours remaining, 207.066406 MB of memory in use. ENERGY: 1514800 764.0665 2065.0845 1963.9807 132.0911 -206296.0085 17873.0345 0.0000 0.0000 34481.1845 -149016.5666 301.1328 -183497.7511 -148911.4633 299.6439 146.1689 179.7011 557202.4832 -8.5689 -8.6224 PRESSURE: 1515000 -148.531 232.891 -0.558067 232.89 7.77489 99.3193 -0.557871 99.3197 7.04416 GPRESSURE: 1515000 -85.9056 192.058 -37.7474 259.625 12.6235 78.8303 44.8696 104.764 33.6746 PRESSAVG: 1515000 -3.07848 91.4456 -11.2802 91.4455 -9.25444 16.559 -11.2803 16.5589 20.1981 GPRESSAVG: 1515000 -0.256024 92.1567 -14.3248 90.6601 -10.2615 15.5803 -10.3492 14.9572 18.8159 TIMING: 1515000 CPU: 4400.12, 0.00289671/step Wall: 4400.12, 0.00289671/step, 2.80417 hours remaining, 207.066406 MB of memory in use. ENERGY: 1515000 748.0416 2111.3820 1978.2189 103.0312 -205867.2807 17665.5296 0.0000 0.0000 34273.4857 -148987.5918 299.3189 -183261.0775 -148887.2952 300.0077 -44.5707 -13.2025 557534.0797 2.6217 2.7661 PRESSURE: 1515200 -0.671821 156.701 76.4303 156.7 -45.5504 -71.9734 76.4294 -71.9732 -131.082 GPRESSURE: 1515200 18.8348 211.061 117.334 67.6039 -41.1433 24.873 85.039 -124.306 -53.4156 PRESSAVG: 1515200 -49.104 40.6625 13.9695 40.6626 -36.0278 -11.1693 13.9695 -11.1693 78.203 GPRESSAVG: 1515200 -50.4315 39.3367 14.7116 41.0324 -34.1066 -11.7489 14.0497 -10.8776 78.7534 TIMING: 1515200 CPU: 4400.7, 0.00289908/step Wall: 4400.7, 0.00289908/step, 2.80631 hours remaining, 207.066406 MB of memory in use. ENERGY: 1515200 773.1591 2043.1107 1958.6024 115.0344 -206052.2407 17870.2069 0.0000 0.0000 34551.4298 -148740.6973 301.7462 -183292.1271 -148648.6146 300.0292 -59.1014 -25.2413 559308.1118 -2.3096 -1.9282 PRESSURE: 1515400 -336.114 -77.6957 45.1843 -77.6943 -226.44 34.2763 45.1844 34.2757 -107.499 GPRESSURE: 1515400 -350.489 -133.915 19.9605 -71.4878 -156.294 -18.1433 104.983 -35.4383 -57.916 PRESSAVG: 1515400 -69.3165 41.5093 -27.626 41.5092 77.7824 -47.0896 -27.6261 -47.0897 11.0427 GPRESSAVG: 1515400 -69.3634 43.6244 -25.8848 39.9082 76.7319 -46.209 -29.1949 -46.7629 11.597 TIMING: 1515400 CPU: 4401.28, 0.00289072/step Wall: 4401.28, 0.00289072/step, 2.79805 hours remaining, 207.066406 MB of memory in use. ENERGY: 1515400 733.8355 2173.3088 1940.0641 115.3729 -205599.8848 17575.3169 0.0000 0.0000 34327.6561 -148734.3304 299.7920 -183061.9865 -148640.2897 300.6947 -223.3507 -188.2332 558195.1832 6.5028 6.3218 PRESSURE: 1515600 -103.078 -57.7205 -23.4393 -57.7196 -93.3437 43.6373 -23.4382 43.6393 -294.326 GPRESSURE: 1515600 -76.4126 -93.4246 9.18399 -58.7262 -106.523 25.2812 0.186434 51.5604 -214.679 PRESSAVG: 1515600 -13.3983 -11.1597 24.2757 -11.1598 -23.9934 -13.7153 24.2756 -13.7153 58.2128 GPRESSAVG: 1515600 -13.9549 -11.8943 23.5982 -11.3966 -23.6359 -16.545 23.8279 -14.2106 59.3271 TIMING: 1515600 CPU: 4401.86, 0.00289868/step Wall: 4401.86, 0.00289868/step, 2.8056 hours remaining, 207.066406 MB of memory in use. ENERGY: 1515600 717.2892 2122.1450 1971.0811 114.9808 -205705.3865 17546.3902 0.0000 0.0000 34517.2721 -148716.2281 301.4479 -183233.5002 -148616.2636 301.3580 -163.5825 -132.5379 558314.1920 6.9404 7.2454 PRESSURE: 1515800 -89.4277 -132.926 61.1435 -132.925 -103.432 240.62 61.1444 240.619 -99.8148 GPRESSURE: 1515800 -51.1951 -129.326 25.3445 -191.212 -75.3081 281.162 45.4896 201.337 -58.4185 PRESSAVG: 1515800 14.4576 25.9335 -20.9795 25.9334 -78.5236 55.5875 -20.9794 55.5874 62.3389 GPRESSAVG: 1515800 14.6958 25.1029 -21.3913 26.9512 -77.4966 57.9795 -22.3933 54.3954 61.5335 TIMING: 1515800 CPU: 4402.44, 0.00290034/step Wall: 4402.44, 0.00290034/step, 2.80705 hours remaining, 207.066406 MB of memory in use. ENERGY: 1515800 757.9072 2116.3456 1948.4035 114.0521 -206075.5109 17757.1647 0.0000 0.0000 34527.7925 -148853.8453 301.5398 -183381.6378 -148766.0578 301.4880 -97.5583 -61.6406 558604.6372 -0.5757 -0.4224 PRESSURE: 1516000 -459.284 -122.382 26.5962 -122.381 -232.474 -4.80663 26.5975 -4.80735 301.096 GPRESSURE: 1516000 -389.375 -160.039 66.6598 -108.35 -181.826 -41.7344 -5.29588 88.2861 266.864 PRESSAVG: 1516000 -21.55 3.57158 -5.08337 3.57156 -13.1901 -6.32578 -5.08343 -6.32576 42.0728 GPRESSAVG: 1516000 -21.7756 3.76095 -4.95365 4.32231 -13.9881 -7.80965 -4.22255 -5.47651 42.4801 TIMING: 1516000 CPU: 4403.02, 0.00291954/step Wall: 4403.02, 0.00291954/step, 2.82546 hours remaining, 207.066406 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: 1516000 751.5651 2097.7032 1939.1200 127.8068 -205430.4537 17558.6664 0.0000 0.0000 34045.2436 -148910.3485 297.3256 -182955.5921 -148814.4066 300.1117 -130.2207 -101.4456 558434.4309 2.4443 2.2388 PRESSURE: 1516200 -193.158 42.7849 -124.35 42.7843 -261.762 -31.7654 -124.349 -31.7659 -79.8053 GPRESSURE: 1516200 -163.143 91.8716 -187.866 12.5509 -212.135 -30.7641 -91.2182 -28.1361 -62.2534 PRESSAVG: 1516200 -62.5361 69.9778 -38.0172 69.9778 50.3862 -2.64355 -38.0172 -2.64346 55.7505 GPRESSAVG: 1516200 -61.6856 69.6431 -37.4009 72.4605 51.1744 -3.89626 -39.0173 -2.15217 54.466 TIMING: 1516200 CPU: 4403.6, 0.0028965/step Wall: 4403.6, 0.0028965/step, 2.80301 hours remaining, 207.066406 MB of memory in use. ENERGY: 1516200 758.0900 2122.6214 1949.1178 123.2964 -205659.1925 17502.7685 0.0000 0.0000 34402.9706 -148800.3279 300.4497 -183203.2985 -148704.4037 301.0381 -178.2417 -145.8438 557904.3797 14.5335 14.6516 LDB: ============= START OF LOAD BALANCING ============== 4407.07 LDB: ============== END OF LOAD BALANCING =============== 4407.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4407.07 LDB: ============= START OF LOAD BALANCING ============== 4407.36 LDB: Largest compute 4821 load 0.029723 is 25.3% of average load 0.117684 LDB: Average compute 0.001725 is 1.5% of average load 0.117684 LDB: TIME 4407.36 LOAD: AVG 0.117684 MAX 0.177929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.5 MB LDB: TIME 4407.36 LOAD: AVG 0.117684 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.5 MB LDB: TIME 4407.36 LOAD: AVG 0.117684 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.5 MB LDB: ============== END OF LOAD BALANCING =============== 4407.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4407.37 PRESSURE: 1516400 42.2041 -104.039 -83.2787 -104.038 66.7456 11.7966 -83.2791 11.7936 -47.6343 GPRESSURE: 1516400 43.5604 -143.149 -26.3459 -115.958 115.835 82.8685 -130.008 -68.3088 20.8174 PRESSAVG: 1516400 15.9668 55.1787 -50.073 55.1787 14.1263 21.9432 -50.073 21.9432 -44.2197 GPRESSAVG: 1516400 14.8314 53.9443 -52.056 54.6133 12.8806 24.6096 -47.3041 20.4546 -42.0871 TIMING: 1516400 CPU: 4404.19, 0.00295017/step Wall: 4404.19, 0.00295017/step, 2.85478 hours remaining, 204.042969 MB of memory in use. ENERGY: 1516400 711.4631 2119.8811 1951.1334 106.7202 -206220.0525 17886.7381 0.0000 0.0000 34551.3499 -148892.7668 301.7455 -183444.1167 -148805.2002 300.1655 20.4385 60.0710 556799.2544 -4.7089 -4.7917 PRESSURE: 1516600 -165.36 218.564 -39.7327 218.562 -63.4227 -127.137 -39.7336 -127.137 -72.1951 GPRESSURE: 1516600 -174.027 281.105 21.0181 167.462 8.182 -128.269 -44.1154 -173.477 -24.0191 PRESSAVG: 1516600 23.3937 14.6854 -25.8991 14.6853 -4.6643 0.749677 -25.899 0.749604 -31.9193 GPRESSAVG: 1516600 23.6487 14.4358 -23.7892 14.1631 -4.93304 0.116335 -29.1437 1.29588 -31.6769 TIMING: 1516600 CPU: 4404.77, 0.00289088/step Wall: 4404.77, 0.00289088/step, 2.79725 hours remaining, 204.246094 MB of memory in use. ENERGY: 1516600 762.0549 2031.6648 1941.7612 102.9911 -205506.1747 17492.4170 0.0000 0.0000 34425.1590 -148750.1268 300.6435 -183175.2858 -148652.2583 300.8452 -100.3261 -63.2880 556895.6448 -4.3966 -4.3204 PRESSURE: 1516800 -73.9696 -141.796 153.741 -141.796 -181.204 171.829 153.74 171.829 299.385 GPRESSURE: 1516800 -61.6116 -134.734 218.991 -94.5005 -158.679 165.461 101.244 168.797 353.925 PRESSAVG: 1516800 35.8468 12.2592 41.7993 12.2591 -36.2628 50.9332 41.7992 50.9333 30.589 GPRESSAVG: 1516800 36.4447 13.754 41.4932 11.9082 -36.391 52.3708 41.0427 50.7428 29.6165 TIMING: 1516800 CPU: 4405.35, 0.00290649/step Wall: 4405.35, 0.00290649/step, 2.81219 hours remaining, 204.246094 MB of memory in use. ENERGY: 1516800 745.7547 2126.2164 1973.9274 140.1245 -205692.1352 17746.2877 0.0000 0.0000 34442.5984 -148517.2262 300.7958 -182959.8246 -148422.6439 300.3985 14.7371 44.5446 558227.8492 10.0577 9.8901 PRESSURE: 1517000 13.6558 103.641 -22.7723 103.641 -278.857 33.4664 -22.772 33.4674 134.44 GPRESSURE: 1517000 51.9494 104.695 26.6366 67.6656 -227.363 -11.5611 17.1504 94.4868 147.741 PRESSAVG: 1517000 -6.72618 37.3728 -24.5784 37.3729 -36.4057 37.7999 -24.5784 37.7999 28.7313 GPRESSAVG: 1517000 -7.57256 36.5245 -25.0159 38.7681 -35.24 37.1349 -21.7144 38.8698 28.7615 TIMING: 1517000 CPU: 4405.93, 0.00290538/step Wall: 4405.93, 0.00290538/step, 2.81096 hours remaining, 204.312500 MB of memory in use. ENERGY: 1517000 730.9333 2098.9099 1946.7776 106.8790 -205549.6538 17550.8682 0.0000 0.0000 34392.0759 -148723.2100 300.3546 -183115.2860 -148616.5629 300.3918 -43.5872 -9.2242 556627.8109 -4.8002 -4.6837 PRESSURE: 1517200 261.712 -191.887 -10.7702 -191.887 -24.3626 -93.4145 -10.7702 -93.4148 83.9243 GPRESSURE: 1517200 273.425 -139.033 -73.3753 -101.085 16.6536 -26.3861 22.6836 -66.6639 122.925 PRESSAVG: 1517200 -6.8971 -7.11574 -35.8523 -7.11579 8.57745 11.7562 -35.8523 11.7562 -2.08599 GPRESSAVG: 1517200 -6.5909 -4.60249 -38.1243 -9.482 8.73289 11.843 -34.7929 10.0004 -2.78078 TIMING: 1517200 CPU: 4406.51, 0.00290806/step Wall: 4406.51, 0.00290805/step, 2.81338 hours remaining, 204.312500 MB of memory in use. ENERGY: 1517200 753.9262 2069.4953 1955.9384 123.7265 -205631.3914 17881.5274 0.0000 0.0000 34336.5532 -148510.2244 299.8697 -182846.7777 -148409.7849 300.8580 107.0914 137.6681 558187.3417 -0.1352 -0.2129 PRESSURE: 1517400 -194.329 120.971 -16.4329 120.972 93.4313 32.6924 -16.4335 32.6907 -86.6294 GPRESSURE: 1517400 -193.379 192.507 -19.2545 74.6021 109.727 57.7191 -81.446 -24.7632 -3.20941 PRESSAVG: 1517400 46.5979 -8.24461 -40.4626 -8.24461 23.7553 51.2285 -40.4626 51.2284 -86.4374 GPRESSAVG: 1517400 46.5196 -9.28422 -39.1484 -7.73726 23.4612 49.222 -42.7837 53.2629 -86.7553 TIMING: 1517400 CPU: 4407.09, 0.00288683/step Wall: 4407.09, 0.00288683/step, 2.79269 hours remaining, 204.312500 MB of memory in use. ENERGY: 1517400 745.8789 2088.3890 1948.9123 114.7947 -205551.1767 17527.9975 0.0000 0.0000 34453.5532 -148671.6512 300.8914 -183125.2044 -148570.8533 301.0084 -62.5089 -28.9539 557981.3981 -5.3614 -5.5915 PRESSURE: 1517600 -283.922 88.3136 25.9597 88.3125 -262.712 83.8077 25.9588 83.8063 -188.562 GPRESSURE: 1517600 -220.006 9.84553 -66.1595 145.684 -251.128 71.9733 73.0413 163.311 -155.991 PRESSAVG: 1517600 -3.56849 60.8835 8.37594 60.8836 -9.12098 45.2662 8.37593 45.2662 9.63232 GPRESSAVG: 1517600 -2.64711 62.3431 6.51174 59.6781 -9.40091 47.6887 10.1906 42.1038 9.15699 TIMING: 1517600 CPU: 4407.67, 0.00289889/step Wall: 4407.67, 0.00289889/step, 2.80419 hours remaining, 204.312500 MB of memory in use. ENERGY: 1517600 763.3184 2072.9691 1948.3912 113.0190 -205474.1621 17327.2951 0.0000 0.0000 34466.8874 -148782.2819 301.0079 -183249.1693 -148691.5964 300.7466 -245.0650 -209.0418 559228.7241 -1.0190 -0.9637 PRESSURE: 1517800 34.7595 -53.0353 100.532 -53.0369 189.718 -35.2714 100.532 -35.2716 -36.6305 GPRESSURE: 1517800 5.12829 -73.415 123.204 7.65827 233.024 -129.409 100.062 29.458 44.7926 PRESSAVG: 1517800 -37.4269 -3.80886 4.89316 -3.80884 0.828226 43.8923 4.89326 43.8923 -21.5634 GPRESSAVG: 1517800 -38.5874 -6.25712 6.03071 -1.10852 -0.581087 42.3958 2.65116 46.2661 -19.2772 TIMING: 1517800 CPU: 4408.25, 0.00288548/step Wall: 4408.25, 0.00288548/step, 2.79106 hours remaining, 204.312500 MB of memory in use. ENERGY: 1517800 737.2872 2128.6002 1953.9569 113.0451 -205752.2976 17807.9587 0.0000 0.0000 34243.3587 -148768.0908 299.0558 -183011.4495 -148677.8481 299.7590 62.6156 94.3150 557008.4193 -19.3874 -19.4819 PRESSURE: 1518000 -136.925 -115.323 14.6965 -115.323 120.536 -118.891 14.6969 -118.892 -131.479 GPRESSURE: 1518000 -85.7536 -173.424 16.6421 -89.165 112.76 -139.279 -10.5468 -131.626 -84.4041 PRESSAVG: 1518000 -18.1625 18.5122 -26.4647 18.5121 -22.6264 2.44856 -26.4647 2.4485 64.257 GPRESSAVG: 1518000 -17.6051 21.5456 -25.8598 16.0916 -22.1447 3.25225 -25.18 2.3097 63.4876 TIMING: 1518000 CPU: 4408.82, 0.00288228/step Wall: 4408.82, 0.00288228/step, 2.78781 hours remaining, 204.312500 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: 1518000 723.0421 2103.6993 1944.6344 108.7626 -205523.8154 17531.6609 0.0000 0.0000 34345.3217 -148766.6942 299.9462 -183112.0159 -148671.1346 300.4492 -49.2892 -19.1326 558922.3767 7.8227 7.9126 PRESSURE: 1518200 201.276 15.5036 -19.8766 15.5037 -241.607 -143.075 -19.8768 -143.075 -93.1927 GPRESSURE: 1518200 209.565 60.8261 1.03038 2.91893 -245.049 -85.2255 -59.4399 -188.762 1.69739 PRESSAVG: 1518200 69.8709 -22.6653 -35.9285 -22.6653 6.84541 -12.385 -35.9285 -12.385 -85.1088 GPRESSAVG: 1518200 69.6799 -25.9001 -37.0336 -21.5432 7.96886 -13.9885 -35.1769 -12.3251 -86.1517 TIMING: 1518200 CPU: 4409.4, 0.00289892/step Wall: 4409.4, 0.00289892/step, 2.80374 hours remaining, 204.312500 MB of memory in use. ENERGY: 1518200 727.7158 2121.2434 1942.5118 114.9229 -205843.0961 17660.0971 0.0000 0.0000 34502.4774 -148774.1278 301.3187 -183276.6052 -148671.6996 300.5576 -44.5079 -11.2621 558352.3856 -2.7975 -2.8343 PRESSURE: 1518400 15.8745 -10.4247 8.96064 -10.4238 -156.877 81.2925 8.96047 81.2932 -116.802 GPRESSURE: 1518400 22.4824 22.7515 19.7691 38.5471 -109.433 98.2361 19.141 88.3323 -68.9869 PRESSAVG: 1518400 71.711 -32.625 -10.6214 -32.625 -8.23861 13.2269 -10.6213 13.2269 -23.9274 GPRESSAVG: 1518400 71.6918 -28.5645 -7.78325 -33.3696 -8.51904 14.3328 -12.5054 13.0356 -24.0485 TIMING: 1518400 CPU: 4409.98, 0.00287747/step Wall: 4409.98, 0.00287747/step, 2.78284 hours remaining, 204.312500 MB of memory in use. ENERGY: 1518400 746.4659 2090.7153 1940.8417 119.5714 -205740.9023 17729.2740 0.0000 0.0000 34299.0426 -148814.9916 299.5421 -183114.0341 -148721.2609 300.3207 -85.9348 -51.9792 557241.1568 13.1817 13.0414 PRESSURE: 1518600 -221.587 -75.9051 75.9335 -75.9059 105.253 23.2482 75.9348 23.2482 -53.1101 GPRESSURE: 1518600 -150.321 -121.759 113.713 45.4562 168.555 22.9208 -3.36304 4.57999 -79.2654 PRESSAVG: 1518600 20.0868 42.741 41.6817 42.7411 41.0492 -28.2379 41.6817 -28.238 -17.8139 GPRESSAVG: 1518600 20.8497 39.1723 40.1429 44.623 41.1773 -27.5697 43.3818 -29.6874 -18.9111 TIMING: 1518600 CPU: 4410.56, 0.00289585/step Wall: 4410.56, 0.00289585/step, 2.80044 hours remaining, 204.312500 MB of memory in use. ENERGY: 1518600 748.2410 2113.0599 1952.2143 117.4927 -206048.0839 17879.9087 0.0000 0.0000 34253.2001 -148983.9672 299.1417 -183237.1672 -148894.7328 299.6945 -56.4816 -20.3438 558352.6260 14.4407 14.3720 PRESSURE: 1518800 -100.856 97.8696 -75.9723 97.8693 -244.463 229.348 -75.9734 229.349 50.9836 GPRESSURE: 1518800 -46.3599 63.0255 -59.2273 64.2035 -209.909 173.376 -54.4782 218.651 55.4959 PRESSAVG: 1518800 -28.2676 25.5889 -2.40466 25.589 10.5505 18.4239 -2.40462 18.4239 37.8805 GPRESSAVG: 1518800 -29.0873 25.8534 -1.46461 25.8538 10.5302 17.8661 -4.40797 19.6964 38.9741 TIMING: 1518800 CPU: 4411.14, 0.00290047/step Wall: 4411.14, 0.00290047/step, 2.80475 hours remaining, 204.312500 MB of memory in use. ENERGY: 1518800 745.0803 2064.3605 1948.3061 107.6455 -205916.7324 17605.5414 0.0000 0.0000 34520.9237 -148924.8749 301.4798 -183445.7986 -148825.7311 299.7191 -98.1116 -66.9243 557618.8556 6.7211 6.8057 PRESSURE: 1519000 119.617 181.094 -41.2153 181.094 98.3798 -128.07 -41.2154 -128.07 -131.627 GPRESSURE: 1519000 206.044 179.006 -79.3451 116.89 111.749 -66.2378 58.9495 -157.675 -138.54 PRESSAVG: 1519000 -17.0221 -4.76853 9.14932 -4.76852 29.8028 71.1208 9.14937 71.1209 -18.8546 GPRESSAVG: 1519000 -16.6962 -5.83709 8.42977 -5.09346 30.0235 69.8328 10.48 71.6395 -19.5042 TIMING: 1519000 CPU: 4411.72, 0.00290034/step Wall: 4411.72, 0.00290034/step, 2.80447 hours remaining, 204.312500 MB of memory in use. ENERGY: 1519000 695.0637 2097.9101 1942.2336 131.7947 -205849.7379 17790.2520 0.0000 0.0000 34247.1062 -148945.3775 299.0885 -183192.4838 -148854.4564 299.7687 28.7899 59.7510 557435.7548 -2.0246 -2.0590 PRESSURE: 1519200 -40.8343 112.496 -259.499 112.496 -14.4123 194.913 -259.5 194.912 101.199 GPRESSURE: 1519200 36.625 83.2852 -302.901 111.092 29.4064 141.294 -163.412 157.273 79.4471 PRESSAVG: 1519200 32.414 -1.63338 -37.1502 -1.63319 -43.9175 8.43714 -37.1503 8.43728 35.3646 GPRESSAVG: 1519200 32.5145 -0.344698 -37.5022 -3.05236 -44.4745 9.83618 -38.9398 8.91564 35.6555 TIMING: 1519200 CPU: 4412.3, 0.00290376/step Wall: 4412.3, 0.00290376/step, 2.80761 hours remaining, 204.312500 MB of memory in use. ENERGY: 1519200 724.5635 2070.7623 1931.6012 111.0167 -205666.1092 17425.2203 0.0000 0.0000 34218.0500 -149184.8951 298.8347 -183402.9451 -149085.9738 299.9932 15.3174 48.4928 556564.9324 7.9537 7.8985 PRESSURE: 1519400 -268.034 -54.919 33.989 -54.9187 -147.207 -91.4919 33.9886 -91.4902 -139.439 GPRESSURE: 1519400 -202.968 -46.1914 -5.87851 -32.8185 -65.9827 -112.051 90.9111 -120.314 -198.308 PRESSAVG: 1519400 -82.6297 9.25421 15.8532 9.25418 58.7437 39.7573 15.8531 39.7574 28.7746 GPRESSAVG: 1519400 -82.1519 9.88939 16.1586 8.99986 59.4426 41.1548 17.3747 37.5791 27.7112 TIMING: 1519400 CPU: 4412.88, 0.00288846/step Wall: 4412.88, 0.00288846/step, 2.79266 hours remaining, 204.312500 MB of memory in use. ENERGY: 1519400 748.6383 2099.3218 1965.1135 115.3757 -205919.8686 17433.7441 0.0000 0.0000 34502.2014 -149055.4739 301.3163 -183557.6753 -148960.5397 300.2783 -184.8931 -155.7530 557293.6581 1.6295 1.6673 PRESSURE: 1519600 -395.102 0.719631 75.5106 0.719412 -318.627 -99.0688 75.5108 -99.0698 -203.677 GPRESSURE: 1519600 -361.354 6.99923 35.8799 45.3758 -260.965 -66.9216 88.0557 -114.88 -193.501 PRESSAVG: 1519600 -38.729 31.5159 4.37695 31.5159 19.2455 18.1073 4.37684 18.1072 35.4661 GPRESSAVG: 1519600 -39.2408 29.7154 5.14542 32.6518 19.7946 15.7572 4.28903 19.4201 35.2196 TIMING: 1519600 CPU: 4413.46, 0.00288645/step Wall: 4413.46, 0.00288645/step, 2.79056 hours remaining, 204.312500 MB of memory in use. ENERGY: 1519600 752.5661 2056.8758 1953.4305 111.9423 -205780.5000 17505.6109 0.0000 0.0000 34372.1297 -149027.9447 300.1804 -183400.0744 -148927.2517 299.6327 -305.8019 -271.9399 559832.0068 5.3275 5.2578 PRESSURE: 1519800 -49.4221 -68.2292 255.372 -68.2295 -175.297 195.769 255.373 195.769 -371.29 GPRESSURE: 1519800 -28.5816 -45.5445 312.161 -73.8915 -166.693 220.029 237.681 208.461 -315.777 PRESSAVG: 1519800 -10.596 -16.2927 22.687 -16.2928 -39.2037 23.5734 22.6871 23.5734 3.37255 GPRESSAVG: 1519800 -10.7776 -13.1349 19.744 -17.1563 -40.2049 25.9079 23.4552 22.8126 4.59506 TIMING: 1519800 CPU: 4414.03, 0.00288999/step Wall: 4414.03, 0.00288999/step, 2.79382 hours remaining, 204.312500 MB of memory in use. ENERGY: 1519800 720.1045 2088.6198 1938.3718 122.4894 -205536.8853 17484.8695 0.0000 0.0000 34258.1047 -148924.3256 299.1845 -183182.4302 -148825.9892 299.7376 -198.6698 -170.3508 557702.6574 -15.4757 -15.4625 PRESSURE: 1520000 -160.655 4.36933 28.8149 4.36899 -153.33 -15.7256 28.8142 -15.7258 -33.1853 GPRESSURE: 1520000 -46.511 -2.38783 58.8928 14.0659 -219.623 32.21 69.6548 -37.62 11.5483 PRESSAVG: 1520000 34.6101 -19.59 44.2303 -19.59 -88.7189 22.9138 44.2303 22.9138 39.3108 GPRESSAVG: 1520000 35.0782 -20.5712 47.0677 -19.9765 -88.6808 21.0244 42.8131 23.1511 39.454 TIMING: 1520000 CPU: 4414.61, 0.00289382/step Wall: 4414.61, 0.00289382/step, 2.79736 hours remaining, 204.312500 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: 1520000 757.0913 2012.1945 1976.7266 101.2875 -205807.6104 17605.0510 0.0000 0.0000 34512.3494 -148842.9102 301.4049 -183355.2596 -148741.4880 299.6583 -115.7234 -84.8620 559887.2427 -4.9326 -4.7162 PRESSURE: 1520200 -245.164 -115.122 -66.6043 -115.121 -19.6134 -66.7833 -66.6033 -66.7838 98.4215 GPRESSURE: 1520200 -219.503 -87.427 -55.677 -113.499 64.4613 31.9282 -57.622 -172.268 85.5084 PRESSAVG: 1520200 1.35106 -18.1283 -7.3742 -18.1283 5.68675 17.9213 -7.37419 17.9214 -48.4297 GPRESSAVG: 1520200 0.818513 -18.7013 -8.36056 -17.5367 5.43667 18.3089 -5.99222 19.0403 -47.8803 TIMING: 1520200 CPU: 4415.19, 0.00289988/step Wall: 4415.19, 0.00289988/step, 2.80306 hours remaining, 204.312500 MB of memory in use. ENERGY: 1520200 749.5379 2035.7743 1927.6714 107.3093 -205954.6302 17754.8395 0.0000 0.0000 34317.0341 -149062.4636 299.6992 -183379.4978 -148961.2232 299.5476 -55.4518 -23.1778 559165.0118 -13.7973 -13.8750 LDB: ============= START OF LOAD BALANCING ============== 4418.66 LDB: ============== END OF LOAD BALANCING =============== 4418.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4418.66 LDB: ============= START OF LOAD BALANCING ============== 4418.96 LDB: Largest compute 4821 load 0.030283 is 25.7% of average load 0.117730 LDB: Average compute 0.001718 is 1.5% of average load 0.117730 LDB: TIME 4418.96 LOAD: AVG 0.11773 MAX 0.176374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 4418.96 LOAD: AVG 0.11773 MAX 0.176374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.953 MB LDB: TIME 4418.96 LOAD: AVG 0.11773 MAX 0.176374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.953 MB LDB: ============== END OF LOAD BALANCING =============== 4418.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4418.96 PRESSURE: 1520400 -22.6189 -131.784 -54.5126 -131.784 -58.6306 55.4548 -54.5138 55.4567 -209.096 GPRESSURE: 1520400 6.40509 -81.2683 -89.3582 -39.8312 -19.1887 86.7794 -48.4948 47.45 -185.3 PRESSAVG: 1520400 9.54181 -55.551 -2.11878 -55.551 -15.1336 0.141863 -2.11886 0.14198 66.1626 GPRESSAVG: 1520400 10.7223 -55.0899 -0.0890739 -57.1021 -13.8293 -0.762051 -2.82409 0.176465 64.4779 TIMING: 1520400 CPU: 4415.79, 0.00298316/step Wall: 4415.79, 0.00298316/step, 2.88339 hours remaining, 205.363281 MB of memory in use. ENERGY: 1520400 733.8670 2080.4132 1948.4993 114.1938 -206113.2808 17751.7706 0.0000 0.0000 34304.9855 -149179.5515 299.5940 -183484.5370 -149090.3533 299.3523 -96.7817 -66.0277 559306.0253 20.1902 20.4569 PRESSURE: 1520600 -223.329 -95.3052 -83.7053 -95.3054 103.972 -14.3164 -83.7052 -14.3166 -164.149 GPRESSURE: 1520600 -174.507 -120.337 56.0428 -72.1765 100.384 -45.276 -69.7465 31.4206 -110.474 PRESSAVG: 1520600 34.1504 -20.3977 30.2448 -20.3978 12.5085 -35.7821 30.2447 -35.7821 -58.0856 GPRESSAVG: 1520600 33.5771 -21.9097 28.2972 -19.5506 11.4702 -33.3486 30.4422 -37.4647 -56.2358 TIMING: 1520600 CPU: 4416.37, 0.00290958/step Wall: 4416.37, 0.00290958/step, 2.81211 hours remaining, 205.363281 MB of memory in use. ENERGY: 1520600 742.8076 2050.1656 1956.8361 112.4963 -206158.1831 17705.7908 0.0000 0.0000 34319.7181 -149270.3685 299.7226 -183590.0866 -149175.2521 298.8595 -94.5022 -61.5324 557871.5556 -3.8089 -3.7295 PRESSURE: 1520800 -6.46307 132.79 76.2973 132.79 -40.1755 98.3229 76.2965 98.3222 -83.1478 GPRESSURE: 1520800 17.4582 184.229 93.1614 106.633 -9.13135 23.8414 76.3587 91.5418 -49.9591 PRESSAVG: 1520800 19.7106 -11.1523 -21.223 -11.1524 40.0477 18.0375 -21.223 18.0374 -56.7677 GPRESSAVG: 1520800 20.369 -11.803 -22.2421 -8.01024 40.3813 15.533 -20.0237 18.2947 -57.784 TIMING: 1520800 CPU: 4416.95, 0.00291225/step Wall: 4416.95, 0.00291225/step, 2.81453 hours remaining, 205.363281 MB of memory in use. ENERGY: 1520800 731.4364 2090.7981 1954.8749 122.0264 -206111.3714 17658.1869 0.0000 0.0000 34308.2720 -149245.7767 299.6227 -183554.0487 -149151.9649 298.4945 -43.2621 -13.8774 557434.3469 0.9969 0.9888 PRESSURE: 1521000 -441.711 -27.7163 29.3189 -27.7169 -34.233 -85.7167 29.3188 -85.7186 -93.8985 GPRESSURE: 1521000 -415.624 6.74129 -1.40995 -54.4763 37.4447 -125.73 28.3016 -95.6659 -81.5666 PRESSAVG: 1521000 12.1842 28.184 49.6744 28.184 56.2077 -11.4494 49.6743 -11.4496 -38.8941 GPRESSAVG: 1521000 11.7316 29.7297 48.8045 25.3653 56.0558 -10.8929 51.5938 -11.7066 -38.31 TIMING: 1521000 CPU: 4417.53, 0.00290184/step Wall: 4417.53, 0.00290184/step, 2.8043 hours remaining, 205.363281 MB of memory in use. ENERGY: 1521000 712.7646 2125.7266 1940.2046 111.8923 -206000.8574 17560.8664 0.0000 0.0000 34264.0136 -149285.3894 299.2362 -183549.4030 -149194.0915 298.7635 -189.9475 -153.2486 558885.1922 9.8326 9.8258 PRESSURE: 1521200 165.977 -0.487773 75.0848 -0.488218 -144.446 74.6499 75.0839 74.6507 76.0684 GPRESSURE: 1521200 193.229 24.5682 83.8507 -12.9646 -107.998 62.0321 100.95 37.0987 85.5151 PRESSAVG: 1521200 -4.57362 27.9199 4.46733 27.9199 -2.6986 -37.5802 4.46727 -37.5801 5.41428 GPRESSAVG: 1521200 -3.51098 27.8255 7.2298 28.7046 -3.45657 -37.098 2.79361 -37.4282 5.00661 TIMING: 1521200 CPU: 4418.11, 0.00287753/step Wall: 4418.11, 0.00287753/step, 2.78066 hours remaining, 205.363281 MB of memory in use. ENERGY: 1521200 750.7808 2061.4553 1950.0902 107.2891 -205971.4876 17786.1234 0.0000 0.0000 34063.6963 -149252.0525 297.4867 -183315.7488 -149156.1137 299.4197 32.5334 56.9155 557477.7042 -0.6193 -0.6536 PRESSURE: 1521400 -285.817 -54.7025 -49.5291 -54.7019 -192.761 63.5165 -49.53 63.5162 -33.9322 GPRESSURE: 1521400 -256.438 -55.7306 2.99619 -108.651 -186.003 73.4276 25.3849 78.725 30.2461 PRESSAVG: 1521400 -29.6256 4.11411 59.0635 4.11411 -45.3712 -30.4867 59.0634 -30.4867 55.0095 GPRESSAVG: 1521400 -30.7693 1.5391 59.6145 3.65975 -44.6489 -31.0815 59.1371 -31.3135 55.4221 TIMING: 1521400 CPU: 4418.69, 0.00288501/step Wall: 4418.69, 0.00288501/step, 2.78772 hours remaining, 205.363281 MB of memory in use. ENERGY: 1521400 706.9896 2123.7433 1943.8091 112.1036 -205851.6624 17424.8727 0.0000 0.0000 34211.9287 -149328.2154 298.7813 -183540.1440 -149228.3536 299.0175 -170.8366 -137.3984 557111.6405 -6.6625 -6.6654 PRESSURE: 1521600 -268.629 -20.317 -150.16 -20.3176 -3.68603 -112.499 -150.16 -112.5 28.0659 GPRESSURE: 1521600 -269.53 -122.323 -73.9878 42.6462 70.3822 -56.0838 -162.728 -161.534 51.6481 PRESSAVG: 1521600 -22.4113 5.83717 16.1243 5.83709 26.1777 15.8037 16.1243 15.8035 -4.54851 GPRESSAVG: 1521600 -21.9111 6.42635 16.4664 6.5022 26.1289 17.4034 16.4527 16.2325 -5.66573 TIMING: 1521600 CPU: 4419.26, 0.0028688/step Wall: 4419.26, 0.0028688/step, 2.7719 hours remaining, 205.363281 MB of memory in use. ENERGY: 1521600 717.1621 2096.6828 1965.4554 104.6558 -206285.3535 17729.5605 0.0000 0.0000 34242.2833 -149429.5535 299.0464 -183671.8368 -149334.9515 298.4966 -81.4164 -49.1666 557224.1026 -0.2607 -0.4826 PRESSURE: 1521800 136.742 -14.5936 -11.1252 -14.594 -255.491 -170.192 -11.1263 -170.191 -98.426 GPRESSURE: 1521800 90.7708 7.76847 -17.2358 -40.0215 -219.607 -202.571 56.2642 -160.623 3.91304 PRESSAVG: 1521800 -5.43838 3.33677 -61.1618 3.33674 33.3848 -34.4688 -61.1617 -34.4688 -10.3951 GPRESSAVG: 1521800 -5.01743 2.6741 -63.2866 4.66904 33.7759 -35.0651 -60.576 -35.3809 -11.4283 TIMING: 1521800 CPU: 4419.84, 0.00288824/step Wall: 4419.84, 0.00288823/step, 2.79052 hours remaining, 205.554688 MB of memory in use. ENERGY: 1521800 767.8555 2030.1328 1965.3772 107.7180 -206044.1850 17685.4137 0.0000 0.0000 34035.2158 -149452.4718 297.2380 -183487.6877 -149354.4851 298.0756 -72.3917 -41.6412 557013.4489 5.8504 5.7767 PRESSURE: 1522000 211.047 34.6691 -155.37 34.6692 -83.0698 -14.1728 -155.37 -14.175 -0.0928045 GPRESSURE: 1522000 255.299 121.459 -156.05 25.436 -17.3004 -54.6896 -96.8424 25.8254 -10.9091 PRESSAVG: 1522000 60.3456 33.4755 -6.29299 33.4756 4.30409 -45.9421 -6.293 -45.9423 -58.5868 GPRESSAVG: 1522000 59.887 35.8909 -5.58824 31.5742 4.36929 -45.4275 -7.86861 -44.334 -57.9082 TIMING: 1522000 CPU: 4420.42, 0.00290434/step Wall: 4420.42, 0.00290434/step, 2.80592 hours remaining, 205.554688 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: 1522000 765.5530 2045.3715 1954.3616 106.3555 -206643.1290 17985.3172 0.0000 0.0000 34305.6045 -149480.5656 299.5994 -183786.1701 -149377.0752 298.7562 42.6283 75.6966 556531.4904 2.0210 2.1160 PRESSURE: 1522200 56.6029 -71.9608 133.619 -71.9598 -309.027 32.2384 133.619 32.237 -79.914 GPRESSURE: 1522200 102.402 -88.4282 124.191 -107.782 -341.929 29.3593 183.549 21.369 -2.43894 PRESSAVG: 1522200 65.3057 -3.05025 2.46767 -3.05019 -37.4541 -34.1231 2.46776 -34.1232 -48.1758 GPRESSAVG: 1522200 65.6065 -5.6468 0.788985 -2.12353 -37.9706 -35.6262 3.41576 -33.3875 -47.5888 TIMING: 1522200 CPU: 4421, 0.00289593/step Wall: 4421, 0.00289593/step, 2.79762 hours remaining, 205.554688 MB of memory in use. ENERGY: 1522200 734.7960 2086.9024 1974.9947 107.2567 -206478.4842 17697.1331 0.0000 0.0000 34516.8969 -149360.5043 301.4446 -183877.4012 -149264.1186 298.5199 -110.7793 -80.6552 557017.4573 -6.7747 -6.6510 PRESSURE: 1522400 40.3753 68.796 -171.532 68.796 320.28 44.1984 -171.53 44.198 209.849 GPRESSURE: 1522400 100.306 37.8488 -182.044 175.155 276.899 -9.8095 -180.556 49.6787 289.838 PRESSAVG: 1522400 -6.2986 -22.4152 -0.847416 -22.4153 8.87933 1.68933 -0.847501 1.68948 21.6989 GPRESSAVG: 1522400 -5.7811 -20.9932 -0.996355 -21.6561 8.02853 3.40214 -0.885807 1.61648 22.6101 TIMING: 1522400 CPU: 4421.57, 0.00288679/step Wall: 4421.57, 0.00288679/step, 2.78864 hours remaining, 205.757812 MB of memory in use. ENERGY: 1522400 711.9989 2087.6661 1927.5790 118.4614 -206050.7950 17896.7243 0.0000 0.0000 34096.5194 -149211.8459 297.7734 -183308.3653 -149115.4350 299.7149 190.1682 222.3479 556961.7624 8.0932 8.2859 PRESSURE: 1522600 -134.843 234.021 -16.0858 234.022 -56.4239 61.6173 -16.086 61.6171 63.0772 GPRESSURE: 1522600 -76.3487 219.568 64.7604 239.59 -41.442 100.689 -69.3051 55.791 95.3418 PRESSAVG: 1522600 -41.7614 5.92725 -35.7062 5.92715 34.2211 -13.8902 -35.7063 -13.8902 -9.34544 GPRESSAVG: 1522600 -42.6574 7.37196 -36.18 6.91887 35.1159 -13.9811 -34.2709 -15.8411 -9.07137 TIMING: 1522600 CPU: 4422.16, 0.00290721/step Wall: 4422.16, 0.00290721/step, 2.80821 hours remaining, 205.757812 MB of memory in use. ENERGY: 1522600 731.3452 2153.4451 1965.5916 104.7322 -206166.3944 17695.2334 0.0000 0.0000 34209.2825 -149306.7645 298.7582 -183516.0470 -149213.9065 299.0209 -42.7300 -7.4830 556052.8662 -5.6286 -5.5376 PRESSURE: 1522800 -26.0959 -67.9456 -30.1323 -67.9464 56.849 -173.959 -30.1312 -173.959 -196.525 GPRESSURE: 1522800 35.7271 -87.5754 -27.385 -99.3793 62.2235 -278.842 -36.9738 -177.249 -179.963 PRESSAVG: 1522800 -32.173 24.3287 -10.1231 24.3287 14.9815 27.4757 -10.1231 27.4756 21.8294 GPRESSAVG: 1522800 -32.0529 22.7724 -8.51395 25.409 15.2818 27.7874 -12.7247 29.7139 20.9504 TIMING: 1522800 CPU: 4422.74, 0.00289724/step Wall: 4422.74, 0.00289724/step, 2.79841 hours remaining, 205.757812 MB of memory in use. ENERGY: 1522800 749.2362 2141.4755 1958.6289 116.9385 -205951.0901 17708.5891 0.0000 0.0000 33957.6886 -149318.5334 296.5609 -183276.2219 -149224.9489 298.7456 -55.2574 -27.3375 557520.6514 1.5459 1.3931 PRESSURE: 1523000 211.164 -19.1699 -73.8897 -19.1704 184.338 4.19615 -73.8908 4.19497 26.3398 GPRESSURE: 1523000 286.593 36.8238 33.3313 -22.9406 180.011 21.8665 -64.4087 -54.8979 41.4229 PRESSAVG: 1523000 -53.0159 50.2896 7.09883 50.2897 44.5646 -37.2958 7.09885 -37.2959 -5.61196 GPRESSAVG: 1523000 -52.888 52.4082 6.51637 47.3245 44.4604 -39.1497 8.59052 -38.2178 -6.10374 TIMING: 1523000 CPU: 4423.31, 0.00289114/step Wall: 4423.31, 0.00289114/step, 2.79236 hours remaining, 205.757812 MB of memory in use. ENERGY: 1523000 696.8694 2100.5291 1951.5552 125.9214 -206277.3905 17800.4484 0.0000 0.0000 34232.4533 -149369.6137 298.9605 -183602.0669 -149271.8973 298.5536 140.6138 169.3423 556601.8671 -4.6878 -4.8438 PRESSURE: 1523200 -104.612 -58.8777 133.872 -58.8769 -56.5886 49.983 133.871 49.9829 -56.9192 GPRESSURE: 1523200 -64.1345 -102.481 111.373 -58.6954 -38.2379 40.4382 102.614 33.0275 -8.25362 PRESSAVG: 1523200 -31.2793 -3.13386 26.4529 -3.13389 29.598 49.036 26.4528 49.036 -26.9692 GPRESSAVG: 1523200 -32.0747 -3.76209 26.0646 -3.94522 29.4025 50.0938 25.3838 49.1271 -26.2445 TIMING: 1523200 CPU: 4423.89, 0.00290256/step Wall: 4423.89, 0.00290256/step, 2.80323 hours remaining, 205.757812 MB of memory in use. ENERGY: 1523200 772.4370 2085.7830 1963.1158 120.3808 -206166.6021 17797.6568 0.0000 0.0000 34026.9578 -149400.2710 297.1659 -183427.2288 -149305.7620 298.3601 -72.7067 -36.8753 558187.2381 -9.5501 -9.6389 PRESSURE: 1523400 -25.5459 -3.10093 101.308 -3.10157 26.1995 -16.244 101.307 -16.2435 134.741 GPRESSURE: 1523400 6.79829 -8.19012 94.3399 62.207 27.5329 -2.36281 133.956 -48.3542 182.655 PRESSAVG: 1523400 -11.1753 15.998 -72.5803 15.9981 3.88828 9.86845 -72.5803 9.86836 12.4843 GPRESSAVG: 1523400 -10.1938 17.7105 -72.0882 17.1029 3.14061 11.0282 -71.256 8.15319 12.1062 TIMING: 1523400 CPU: 4424.47, 0.0028963/step Wall: 4424.47, 0.0028963/step, 2.79702 hours remaining, 205.757812 MB of memory in use. ENERGY: 1523400 760.1346 2089.3420 1956.7220 118.0537 -206228.0282 17836.6048 0.0000 0.0000 34053.8646 -149413.3065 297.4009 -183467.1711 -149315.9776 298.2012 45.1315 72.3287 557736.0420 1.7324 1.6844 PRESSURE: 1523600 38.4267 -54.8983 -28.9577 -54.8987 29.6195 0.568625 -28.9583 0.568263 -219.826 GPRESSURE: 1523600 28.8887 -52.5138 -30.6021 -63.2777 73.9934 34.078 33.4125 -4.5034 -168.641 PRESSAVG: 1523600 40.7956 9.50923 10.5033 9.50928 -22.7732 -57.8315 10.5033 -57.8315 -5.64544 GPRESSAVG: 1523600 40.8625 6.49549 9.65545 10.1321 -22.5612 -60.0359 10.0163 -55.6602 -5.85823 TIMING: 1523600 CPU: 4425.05, 0.00288548/step Wall: 4425.05, 0.00288548/step, 2.78641 hours remaining, 205.757812 MB of memory in use. ENERGY: 1523600 721.9356 2090.3003 1941.8266 102.6619 -206567.0129 17803.1468 0.0000 0.0000 34332.4222 -149574.7194 299.8336 -183907.1416 -149474.4188 298.3828 -50.5934 -21.9198 556908.9115 4.1257 4.1477 PRESSURE: 1523800 -71.4398 -139.62 64.048 -139.619 184.702 -132.256 64.049 -132.254 -152.054 GPRESSURE: 1523800 -60.9937 -126.656 30.1119 -144.436 210.424 -180.057 88.6422 -197.299 -95.904 PRESSAVG: 1523800 40.0138 10.9831 15.077 10.9833 41.2168 7.00277 15.0771 7.00284 -58.9128 GPRESSAVG: 1523800 40.1553 11.1755 16.443 9.67056 40.9344 6.97772 15.7018 8.11187 -58.189 TIMING: 1523800 CPU: 4425.63, 0.00288784/step Wall: 4425.63, 0.00288784/step, 2.78853 hours remaining, 205.757812 MB of memory in use. ENERGY: 1523800 704.3418 2035.8583 1932.0120 101.4444 -206267.0618 17818.1190 0.0000 0.0000 34057.4771 -149617.8092 297.4324 -183675.2863 -149513.2609 298.1964 -12.9303 17.8420 558084.0974 7.4393 7.6335 PRESSURE: 1524000 87.4016 -6.21292 -35.9785 -6.21354 -166.627 11.6473 -35.9794 11.6463 66.6869 GPRESSURE: 1524000 76.8413 -78.3266 -59.6388 3.4533 -114.842 80.6369 -64.2454 -17.9984 132.964 PRESSAVG: 1524000 7.71116 -22.295 -38.4672 -22.295 -27.3911 -20.7371 -38.4672 -20.7372 -13.7346 GPRESSAVG: 1524000 6.02309 -22.0501 -38.3352 -21.9063 -26.2955 -20.48 -39.8409 -22.0106 -13.7498 TIMING: 1524000 CPU: 4426.21, 0.0028893/step Wall: 4426.21, 0.0028893/step, 2.78978 hours remaining, 205.757812 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: 1524000 733.6115 2134.1916 1959.0893 105.8244 -206667.8100 17874.3744 0.0000 0.0000 34156.9411 -149703.7777 298.3011 -183860.7188 -149610.9697 297.2780 -4.1795 31.6543 555619.2048 -11.1382 -11.3407 PRESSURE: 1524200 64.5036 -56.2617 -96.8334 -56.2613 -339.511 -203.245 -96.8334 -203.244 -78.9992 GPRESSURE: 1524200 99.7948 -62.5347 -37.9822 1.03396 -318.665 -179.224 -165.93 -209.821 -26.5508 PRESSAVG: 1524200 -11.0109 24.5687 -66.0119 24.5688 -0.824509 -31.0262 -66.0118 -31.0262 -5.96723 GPRESSAVG: 1524200 -9.766 26.1396 -65.6729 25.4651 -0.283545 -30.2102 -64.8706 -31.817 -7.49996 TIMING: 1524200 CPU: 4426.79, 0.00290134/step Wall: 4426.79, 0.00290134/step, 2.80124 hours remaining, 205.757812 MB of memory in use. ENERGY: 1524200 723.4695 2086.3471 1946.9459 104.9681 -206428.1673 17667.4112 0.0000 0.0000 34124.0155 -149775.0100 298.0135 -183899.0255 -149676.7431 297.5254 -118.0022 -81.8069 554580.8773 -5.9342 -5.8498 LDB: ============= START OF LOAD BALANCING ============== 4430.25 LDB: ============== END OF LOAD BALANCING =============== 4430.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4430.25 LDB: ============= START OF LOAD BALANCING ============== 4430.55 LDB: Largest compute 4821 load 0.030227 is 25.7% of average load 0.117721 LDB: Average compute 0.001713 is 1.5% of average load 0.117721 LDB: TIME 4430.55 LOAD: AVG 0.117721 MAX 0.176759 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.555 MB LDB: TIME 4430.55 LOAD: AVG 0.117721 MAX 0.176759 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.559 MB LDB: TIME 4430.55 LOAD: AVG 0.117721 MAX 0.176759 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4430.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4430.56 PRESSURE: 1524400 98.3911 202.788 113.337 202.787 -167.227 -37.6754 113.335 -37.6751 134.951 GPRESSURE: 1524400 178.102 238.98 77.458 171.709 -174.205 -44.8946 116.795 18.6733 160.963 PRESSAVG: 1524400 -36.053 5.06976 -49.5851 5.06985 -2.76796 -17.3598 -49.5851 -17.3599 33.2562 GPRESSAVG: 1524400 -36.6645 5.6685 -51.6027 3.66542 -3.94844 -17.2339 -50.1595 -17.605 35.3018 TIMING: 1524400 CPU: 4427.38, 0.00297836/step Wall: 4427.38, 0.00297836/step, 2.87544 hours remaining, 205.093750 MB of memory in use. ENERGY: 1524400 745.7954 2088.0890 1958.3564 113.5622 -206823.3509 18000.3394 0.0000 0.0000 33923.8186 -149993.3897 296.2651 -183917.2083 -149902.3488 297.0316 22.0384 54.9533 554916.9038 -1.8549 -1.7704 PRESSURE: 1524600 73.7113 -15.9111 -134.614 -15.9113 320.65 40.3895 -134.613 40.3897 54.6037 GPRESSURE: 1524600 68.5364 22.3004 -176.27 16.5124 375.197 85.3453 -123.846 39.5527 104.508 PRESSAVG: 1524600 -30.5632 21.3921 -24.0682 21.392 41.5289 1.41478 -24.0683 1.41485 -4.11416 GPRESSAVG: 1524600 -29.6943 18.5681 -22.4238 24.0326 42.0179 1.06294 -23.8169 0.843066 -5.60613 TIMING: 1524600 CPU: 4427.96, 0.00289887/step Wall: 4427.96, 0.00289887/step, 2.79853 hours remaining, 205.496094 MB of memory in use. ENERGY: 1524600 750.8776 2090.9752 1972.5932 121.7984 -206884.9571 18026.6176 0.0000 0.0000 34033.4300 -149888.6651 297.2224 -183922.0951 -149791.4945 297.1149 149.6549 182.7471 554468.6654 2.2839 2.2392 PRESSURE: 1524800 -123.013 98.2421 -4.08883 98.242 -160.091 137.168 -4.08975 137.168 -180.89 GPRESSURE: 1524800 -105.707 49.1596 2.78681 148.621 -148.018 -26.9052 18.3131 205.213 -127.255 PRESSAVG: 1524800 -12.9333 -17.6781 -34.5444 -17.6781 -16.7216 34.7961 -34.5444 34.7961 -6.8868 GPRESSAVG: 1524800 -13.6054 -17.1024 -34.4519 -18.1047 -16.9091 35.0556 -35.7477 34.7885 -6.60086 TIMING: 1524800 CPU: 4428.54, 0.00290238/step Wall: 4428.54, 0.00290238/step, 2.80176 hours remaining, 205.496094 MB of memory in use. ENERGY: 1524800 705.4317 2087.8943 1959.3108 112.6368 -206031.4920 17493.6977 0.0000 0.0000 34048.7807 -149623.7400 297.3565 -183672.5207 -149529.9896 297.5552 -154.6646 -126.9931 558571.8627 -12.1806 -12.3718 PRESSURE: 1525000 127.025 135 -58.5739 135.001 -40.4417 33.7374 -58.574 33.7372 -84.1194 GPRESSURE: 1525000 180.868 162.58 6.44382 33.5329 -18.3457 45.8193 -132.874 -30.4287 -54.7991 PRESSAVG: 1525000 0.338762 67.4047 -26.8094 67.4047 47.56 -45.7831 -26.8094 -45.7831 -13.0414 GPRESSAVG: 1525000 -0.0900212 66.9232 -27.7113 66.593 47.2269 -46.0452 -26.5939 -45.4122 -12.2375 TIMING: 1525000 CPU: 4429.12, 0.00290324/step Wall: 4429.12, 0.00290324/step, 2.80243 hours remaining, 205.496094 MB of memory in use. ENERGY: 1525000 756.0500 2134.4329 1955.2982 103.5099 -206605.8435 18027.9928 0.0000 0.0000 34255.1516 -149373.4082 299.1588 -183628.5598 -149275.7939 298.0087 0.8214 35.9077 556888.2694 11.6191 11.6331 PRESSURE: 1525200 -109.809 33.5735 3.61931 33.5726 -366.803 68.7501 3.62029 68.75 -213.43 GPRESSURE: 1525200 -106.515 -80.5636 -12.3106 71.4525 -302.564 145.18 -71.9585 64.2334 -195.822 PRESSAVG: 1525200 38.0488 56.9289 24.0787 56.929 -58.1372 29.0674 24.0788 29.0674 53.1668 GPRESSAVG: 1525200 37.2354 57.1893 25.356 58.385 -57.4756 26.4498 22.8037 31.1022 52.9775 TIMING: 1525200 CPU: 4429.71, 0.0029207/step Wall: 4429.71, 0.0029207/step, 2.81913 hours remaining, 205.496094 MB of memory in use. ENERGY: 1525200 756.8881 2054.1511 1959.5146 123.3313 -205791.9213 17401.4365 0.0000 0.0000 34174.0417 -149322.5581 298.4504 -183496.5998 -149224.8486 299.5115 -230.0144 -201.6334 555958.5349 11.0261 10.9124 PRESSURE: 1525400 -70.2604 107.996 11.5189 107.996 71.6256 -48.4529 11.5181 -48.4535 -7.6533 GPRESSURE: 1525400 -36.367 116.834 47.5884 74.1322 112.167 -47.4146 19.6312 -42.7247 30.9376 PRESSAVG: 1525400 23.9855 24.515 56.3944 24.515 -14.0234 61.4016 56.3944 61.4014 28.3961 GPRESSAVG: 1525400 23.8983 25.0801 55.8334 22.5378 -14.3689 62.1826 56.5661 59.4358 28.6289 TIMING: 1525400 CPU: 4430.29, 0.0029019/step Wall: 4430.29, 0.0029019/step, 2.80082 hours remaining, 205.496094 MB of memory in use. ENERGY: 1525400 735.9941 2078.7850 1967.4700 109.5816 -205969.8098 17834.2697 0.0000 0.0000 34121.7633 -149121.9460 297.9938 -183243.7093 -149033.2490 298.6724 -2.0960 35.5793 557936.1662 12.7861 12.7194 PRESSURE: 1525600 -156.32 103.45 -110.485 103.45 -122.46 -64.5799 -110.486 -64.5802 -238.999 GPRESSURE: 1525600 -83.8029 33.4983 -143.772 102.769 -53.2417 -43.5315 12.4128 -116.921 -278.67 PRESSAVG: 1525600 5.56957 16.8611 6.65614 16.861 -35.4079 61.0067 6.65601 61.0068 8.59271 GPRESSAVG: 1525600 4.82836 17.2102 6.32675 14.2083 -34.5521 60.9889 5.63713 62.3229 8.30976 TIMING: 1525600 CPU: 4430.87, 0.00290161/step Wall: 4430.87, 0.00290161/step, 2.80038 hours remaining, 205.496094 MB of memory in use. ENERGY: 1525600 765.4808 2065.0253 1959.0330 130.9209 -206117.8104 17704.6361 0.0000 0.0000 34243.6571 -149249.0572 299.0584 -183492.7143 -149151.9321 299.2037 -172.5927 -138.5717 557418.7295 -7.0819 -7.1380 PRESSURE: 1525800 -5.15697 37.5527 -90.9307 37.5524 -214.123 -86.2975 -90.9298 -86.298 -116.961 GPRESSURE: 1525800 20.3481 132.993 -153.321 44.9014 -127.52 -80.7485 -130.228 1.41416 -138.866 PRESSAVG: 1525800 55.087 -13.2548 -59.4787 -13.2549 -40.1227 43.6266 -59.4786 43.6268 -30.478 GPRESSAVG: 1525800 55.2759 -13.6898 -59.1158 -10.4578 -39.3613 45.1179 -58.7293 42.1309 -31.3 TIMING: 1525800 CPU: 4431.45, 0.00289823/step Wall: 4431.45, 0.00289823/step, 2.79695 hours remaining, 205.496094 MB of memory in use. ENERGY: 1525800 788.6616 2088.8341 1964.7310 111.5077 -206333.9991 17706.6241 0.0000 0.0000 34310.2414 -149363.3993 299.6399 -183673.6407 -149269.0888 299.3026 -112.0804 -82.0127 555790.8093 -5.1712 -5.1285 PRESSURE: 1526000 138.059 125.345 -85.6443 125.345 14.5513 97.9644 -85.6436 97.9652 -298.422 GPRESSURE: 1526000 207 125.79 -64.7056 111.209 3.93508 163.693 -37.9321 73.5 -271.865 PRESSAVG: 1526000 28.8536 -22.559 -6.565 -22.5589 58.1389 49.3396 -6.56489 49.3396 -62.1455 GPRESSAVG: 1526000 29.7768 -22.4757 -5.79067 -20.3526 56.6443 47.7273 -5.91349 49.989 -61.1781 TIMING: 1526000 CPU: 4432.03, 0.00289579/step Wall: 4432.03, 0.00289579/step, 2.79444 hours remaining, 205.496094 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: 1526000 730.5045 2182.6352 1980.3152 121.2032 -206120.5607 17658.2432 0.0000 0.0000 34157.7880 -149289.8713 298.3085 -183447.6594 -149198.1827 299.2998 -48.6039 -20.3102 556505.8564 8.2823 8.4143 PRESSURE: 1526200 79.3751 113.479 -65.0137 113.479 77.2157 -79.8504 -65.0133 -79.8508 -50.1561 GPRESSURE: 1526200 100.39 163.386 -28.4529 25.4481 142.923 -3.22058 -94.414 -62.9502 -35.2363 PRESSAVG: 1526200 63.81 65.1518 62.0888 65.1518 -78.9924 49.5373 62.0887 49.5373 -4.46553 GPRESSAVG: 1526200 63.5863 65.1982 62.2878 63.0268 -77.6834 51.0172 60.1094 50.1842 -5.96819 TIMING: 1526200 CPU: 4432.61, 0.00290767/step Wall: 4432.61, 0.00290767/step, 2.80574 hours remaining, 205.496094 MB of memory in use. ENERGY: 1526200 745.7721 2066.0395 1969.1786 102.9170 -206245.9818 17859.5115 0.0000 0.0000 34156.7684 -149345.7947 298.2996 -183502.5631 -149239.4473 298.5520 35.4782 69.3588 556673.3547 -6.5493 -6.6884 PRESSURE: 1526400 -273.753 197.461 -197.411 197.461 -380.589 -16.3984 -197.412 -16.3981 71.2358 GPRESSURE: 1526400 -238.399 131.245 -106.036 235.702 -346.877 -13.8787 -210.579 -79.319 112.411 PRESSAVG: 1526400 29.0331 75.0086 -7.80025 75.0085 8.67271 -23.92 -7.80024 -23.9199 -16.5451 GPRESSAVG: 1526400 28.0899 75.4378 -10.4642 75.3236 9.12776 -25.8753 -5.45219 -25.0487 -15.9598 TIMING: 1526400 CPU: 4433.19, 0.00292871/step Wall: 4433.19, 0.00292871/step, 2.82588 hours remaining, 205.496094 MB of memory in use. ENERGY: 1526400 772.7065 2056.3762 1941.3569 127.3347 -205942.5581 17588.7128 0.0000 0.0000 34069.5514 -149386.5197 297.5379 -183456.0710 -149288.1708 298.6454 -194.3687 -157.6217 556689.7408 7.0535 7.0860 PRESSURE: 1526600 -53.941 -187.478 173.769 -187.477 21.7715 -66.6587 173.77 -66.6585 -186.465 GPRESSURE: 1526600 -28.3955 -218.9 138.256 -206.62 64.1413 -35.5335 149.63 -32.5677 -152.593 PRESSAVG: 1526600 23.5819 11.8158 -16.3796 11.8158 -60.1829 6.12161 -16.3797 6.12162 -17.8269 GPRESSAVG: 1526600 23.7704 9.68435 -16.465 10.7995 -60.3197 7.17033 -16.8132 7.37041 -18.0969 TIMING: 1526600 CPU: 4433.77, 0.0028998/step Wall: 4433.77, 0.0028998/step, 2.79782 hours remaining, 205.496094 MB of memory in use. ENERGY: 1526600 738.2349 2116.4557 1936.8396 115.2595 -206364.1556 17752.7693 0.0000 0.0000 34367.5643 -149337.0323 300.1405 -183704.5966 -149241.5438 299.1729 -72.8783 -38.9491 556195.6540 -18.1426 -18.2154 PRESSURE: 1526800 47.9344 73.5403 -52.2738 73.5398 -80.1773 -78.6769 -52.2726 -78.6765 -59.6108 GPRESSURE: 1526800 141.167 81.0637 -102.354 9.8344 -69.3755 6.81776 5.93213 -96.422 -69.0002 PRESSAVG: 1526800 32.8249 7.66252 14.9503 7.66254 37.4707 -10.2073 14.9503 -10.2073 -41.5632 GPRESSAVG: 1526800 33.1905 9.95179 16.5038 9.07822 37.2947 -9.16819 14.0438 -11.98 -42.3246 TIMING: 1526800 CPU: 4434.36, 0.00292107/step Wall: 4434.36, 0.00292107/step, 2.81818 hours remaining, 205.496094 MB of memory in use. ENERGY: 1526800 768.2336 2144.8838 1942.0206 110.9145 -206231.7204 17707.8175 0.0000 0.0000 34146.2906 -149411.5597 298.2080 -183557.8503 -149317.4436 298.9339 -30.6179 0.9303 555471.6756 9.5774 9.3869 PRESSURE: 1527000 -187.979 -46.2109 43.9557 -46.2114 92.1493 -157.634 43.9543 -157.635 -152.798 GPRESSURE: 1527000 -150.607 -59.6045 17.0469 -23.9547 98.1526 -133.319 90.8802 -157.058 -95.0983 PRESSAVG: 1527000 28.0361 2.33745 14.2891 2.33753 14.5475 8.91523 14.2891 8.91522 -53.5175 GPRESSAVG: 1527000 27.8069 1.27178 15.0542 -0.625867 13.5345 7.10272 15.5396 12.731 -52.4669 TIMING: 1527000 CPU: 4434.94, 0.00292229/step Wall: 4434.94, 0.00292229/step, 2.8192 hours remaining, 205.496094 MB of memory in use. ENERGY: 1527000 747.2093 2101.9763 1937.9323 112.9592 -206100.4103 17660.1315 0.0000 0.0000 34015.5006 -149524.7010 297.0658 -183540.2017 -149424.7919 298.3128 -82.8758 -49.1841 555741.5001 -3.6447 -3.7085 PRESSURE: 1527200 -72.1723 236.261 -90.5866 236.261 -57.0171 97.9022 -90.5888 97.9042 10.5718 GPRESSURE: 1527200 -2.62431 247.738 -128.492 285.594 -77.5351 112.868 -62.2134 59.435 59.2543 PRESSAVG: 1527200 -5.72741 -19.2239 -8.18607 -19.2239 -25.0912 -41.6945 -8.18611 -41.6945 21.2219 GPRESSAVG: 1527200 -6.40241 -17.7543 -11.5804 -17.757 -24.7354 -40.5447 -7.89425 -44.0288 21.2471 TIMING: 1527200 CPU: 4435.52, 0.00290064/step Wall: 4435.52, 0.00290064/step, 2.79815 hours remaining, 205.632812 MB of memory in use. ENERGY: 1527200 742.4824 2088.4902 1963.9040 117.1344 -206402.7095 17868.3998 0.0000 0.0000 34088.0591 -149534.2396 297.6995 -183622.2987 -149438.6414 298.2470 -39.5392 -6.9684 556333.9945 -3.1989 -3.2969 PRESSURE: 1527400 213.906 242.31 -42.3113 242.31 137.606 -87.6491 -42.3107 -87.6498 -113.669 GPRESSURE: 1527400 197.423 228.562 -89.1997 264.794 145.711 -43.4756 2.49556 -105.134 -21.7504 PRESSAVG: 1527400 14.7898 -24.5835 43.3877 -24.5835 -18.6835 77.1457 43.3878 77.1458 -4.51937 GPRESSAVG: 1527400 16.0626 -25.832 45.1113 -22.5486 -19.3585 75.2575 44.1939 78.2993 -5.32178 TIMING: 1527400 CPU: 4436.1, 0.00290641/step Wall: 4436.1, 0.00290641/step, 2.80356 hours remaining, 205.632812 MB of memory in use. ENERGY: 1527400 748.9587 2070.7272 1937.9386 123.6384 -206524.5601 17952.0179 0.0000 0.0000 34210.1001 -149481.1792 298.7653 -183691.2793 -149384.4990 298.3527 79.2814 107.1277 557503.3937 -2.8044 -2.8726 PRESSURE: 1527600 84.7513 -61.6253 137.348 -61.6268 -175.731 -41.4911 137.348 -41.492 57.6242 GPRESSURE: 1527600 60.8544 -113.464 126.953 -62.1265 -44.62 -6.06372 155.799 -4.97054 37.6488 PRESSAVG: 1527600 10.5306 23.9375 33.8766 23.9375 -34.8324 40.292 33.8765 40.292 2.27251 GPRESSAVG: 1527600 9.89885 24.9247 34.6684 24.8688 -33.9347 40.6232 33.1847 39.9951 2.33506 TIMING: 1527600 CPU: 4436.68, 0.00290315/step Wall: 4436.68, 0.00290315/step, 2.80025 hours remaining, 205.632812 MB of memory in use. ENERGY: 1527600 719.1674 2167.7598 1936.2694 123.4477 -206151.6793 17663.7313 0.0000 0.0000 34215.7931 -149325.5107 298.8150 -183541.3038 -149222.3618 298.8399 -11.1185 17.9611 557289.1579 -7.3431 -7.2336 PRESSURE: 1527800 -7.70346 -60.5837 37.5077 -60.5831 -20.6821 49.92 37.507 49.92 -28.1706 GPRESSURE: 1527800 -9.82739 -99.9175 -4.55654 -40.0684 52.642 -47.6676 58.021 107.167 -1.83558 PRESSAVG: 1527800 -5.01104 11.9853 -3.1315 11.9853 -33.3751 -0.0392403 -3.13158 -0.0391762 45.9789 GPRESSAVG: 1527800 -5.63903 12.0772 -2.70503 11.2934 -34.0931 -1.08333 -4.05762 -1.18653 47.1271 TIMING: 1527800 CPU: 4437.27, 0.00290787/step Wall: 4437.27, 0.00290787/step, 2.80464 hours remaining, 205.632812 MB of memory in use. ENERGY: 1527800 779.6962 2061.2362 1949.6858 111.4424 -206358.3085 17958.8262 0.0000 0.0000 34260.5372 -149236.8845 299.2058 -183497.4217 -149146.4090 298.7363 -18.8520 13.6597 555822.3293 2.5309 2.4650 PRESSURE: 1528000 -85.5707 -51.5089 122.197 -51.5093 34.5526 148.23 122.197 148.231 -141.122 GPRESSURE: 1528000 -19.0627 -39.5096 96.0343 -58.4827 75.5817 191.851 125.021 159.217 -148.182 PRESSAVG: 1528000 29.7215 -70.4632 21.0458 -70.4632 32.889 -13.679 21.0459 -13.6792 -90.1913 GPRESSAVG: 1528000 30.6772 -69.9441 20.8721 -70.0131 32.5958 -13.0178 22.0298 -12.5899 -90.4828 TIMING: 1528000 CPU: 4437.84, 0.00288466/step Wall: 4437.84, 0.00288466/step, 2.7821 hours remaining, 205.632812 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: 1528000 767.7288 2103.3373 1933.2406 123.0766 -205968.2054 17714.7952 0.0000 0.0000 34205.1201 -149120.9069 298.7218 -183326.0270 -149025.3238 299.1140 -64.0467 -30.5545 557006.8378 -9.1936 -9.0699 PRESSURE: 1528200 -63.1686 -14.2672 -110.124 -14.2684 -6.56673 -18.3769 -110.123 -18.376 239.864 GPRESSURE: 1528200 -32.9125 -49.1956 11.7777 -52.1204 16.2872 -10.6971 -144.887 -21.4979 290.489 PRESSAVG: 1528200 84.8751 -19.6471 73.6686 -19.6471 -24.4406 -41.2535 73.6685 -41.2535 -27.5216 GPRESSAVG: 1528200 84.531 -19.7748 74.0565 -18.7084 -24.6162 -40.051 73.6305 -42.7117 -27.1213 TIMING: 1528200 CPU: 4438.43, 0.00291214/step Wall: 4438.43, 0.00291214/step, 2.80843 hours remaining, 205.632812 MB of memory in use. ENERGY: 1528200 765.9180 2072.7716 1975.0328 119.9483 -206267.1997 17765.8951 0.0000 0.0000 34522.9679 -149044.6660 301.4977 -183567.6338 -148949.6804 299.7100 56.7097 91.2880 555093.5956 10.9710 10.9312 LDB: ============= START OF LOAD BALANCING ============== 4441.89 LDB: ============== END OF LOAD BALANCING =============== 4441.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4441.89 LDB: ============= START OF LOAD BALANCING ============== 4442.18 LDB: Largest compute 4821 load 0.028193 is 23.9% of average load 0.117738 LDB: Average compute 0.001722 is 1.5% of average load 0.117738 LDB: TIME 4442.19 LOAD: AVG 0.117738 MAX 0.177962 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.324 MB LDB: TIME 4442.19 LOAD: AVG 0.117738 MAX 0.177962 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.383 MB LDB: TIME 4442.19 LOAD: AVG 0.117738 MAX 0.177962 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4442.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4442.19 PRESSURE: 1528400 169.317 -21.1893 96.6432 -21.1907 -127.776 -96.5458 96.6426 -96.5464 155.045 GPRESSURE: 1528400 216.01 -55.6009 52.6701 79.7028 -105.612 -95.995 60.4471 -62.497 187.918 PRESSAVG: 1528400 6.16064 -15.114 -8.11723 -15.114 17.2492 -12.2716 -8.11727 -12.2717 4.36674 GPRESSAVG: 1528400 5.25757 -16.5438 -9.02359 -15.3827 18.0063 -12.9217 -6.69583 -14.1107 4.85329 TIMING: 1528400 CPU: 4439.02, 0.00296391/step Wall: 4439.02, 0.00296391/step, 2.8582 hours remaining, 204.082031 MB of memory in use. ENERGY: 1528400 742.0820 2141.7171 1950.0221 115.7947 -206413.5469 18025.7388 0.0000 0.0000 34463.4786 -148974.7135 300.9781 -183438.1921 -148881.4956 300.0013 65.5283 99.4389 556225.6563 9.2589 9.3724 PRESSURE: 1528600 -13.8948 -73.5473 72.0644 -73.547 -160.683 84.3884 72.0654 84.3888 110.172 GPRESSURE: 1528600 30.7215 18.2729 -3.39343 -101.238 -89.4195 97.7204 151.471 99.8056 98.8057 PRESSAVG: 1528600 16.557 -23.1551 4.99934 -23.155 -43.6934 -104.946 4.99928 -104.946 25.3428 GPRESSAVG: 1528600 16.6601 -21.5363 6.06153 -24.4176 -43.1932 -104.353 5.12247 -103.558 24.3416 TIMING: 1528600 CPU: 4439.6, 0.00292998/step Wall: 4439.6, 0.00292998/step, 2.82531 hours remaining, 204.082031 MB of memory in use. ENERGY: 1528600 737.8608 2143.3575 1965.0423 103.4364 -206172.1855 17761.4842 0.0000 0.0000 34312.5397 -149148.4647 299.6599 -183461.0043 -149048.4877 299.9460 -21.4686 13.3692 557783.8581 -0.5979 -0.7305 PRESSURE: 1528800 -15.4708 31.539 -125.898 31.5377 33.523 -50.7591 -125.897 -50.7581 -320.879 GPRESSURE: 1528800 31.9033 36.5741 -98.9105 -11.6506 31.2688 34.5841 -130.254 -43.1538 -262.674 PRESSAVG: 1528800 40.0703 -9.87997 -35.3387 -9.87993 38.0928 -28.7671 -35.3386 -28.7669 -47.184 GPRESSAVG: 1528800 41.5936 -9.4596 -34.6279 -10.7469 37.3882 -28.6914 -36.6945 -30.5586 -48.0041 TIMING: 1528800 CPU: 4440.18, 0.00289992/step Wall: 4440.18, 0.00289992/step, 2.79617 hours remaining, 204.082031 MB of memory in use. ENERGY: 1528800 738.3709 2118.9914 1969.9231 118.2651 -206097.6133 17671.1176 0.0000 0.0000 34548.5524 -148932.3928 301.7211 -183480.9452 -148840.9032 299.9084 -100.9422 -66.5007 558019.3791 10.3263 10.3259 PRESSURE: 1529000 -98.2201 -52.6413 89.6466 -52.6397 -182.685 34.1703 89.6471 34.1684 -31.2878 GPRESSURE: 1529000 -96.4947 18.9712 48.3322 -100.769 -128.242 -37.9774 79.5393 44.6751 7.45617 PRESSAVG: 1529000 -8.96122 -11.1883 -9.55744 -11.1883 87.3172 27.3077 -9.55755 27.3078 -42.1071 GPRESSAVG: 1529000 -9.13766 -11.0365 -9.38975 -11.098 87.5669 26.4485 -8.4448 29.4131 -42.0373 TIMING: 1529000 CPU: 4440.77, 0.00290902/step Wall: 4440.77, 0.00290902/step, 2.80478 hours remaining, 204.082031 MB of memory in use. ENERGY: 1529000 790.0369 2121.6983 1953.0178 120.0379 -205964.9847 17789.7336 0.0000 0.0000 34138.7872 -149051.6730 298.1425 -183190.4601 -148958.9698 299.6518 -104.0644 -72.4268 557809.3846 12.0830 12.1306 PRESSURE: 1529200 -285.163 -13.9671 56.7113 -13.9678 -117.528 -18.658 56.7106 -18.6565 -97.9039 GPRESSURE: 1529200 -238.192 56.9345 59.9306 -7.34069 -47.1087 -142.068 99.2356 52.0002 -114.751 PRESSAVG: 1529200 -39.2925 -6.0358 44.9141 -6.03583 -18.0249 31.1719 44.914 31.172 24.127 GPRESSAVG: 1529200 -39.6792 -7.37849 41.7782 -5.91388 -18.9975 31.3849 44.1532 30.3729 25.2227 TIMING: 1529200 CPU: 4441.35, 0.00289675/step Wall: 4441.35, 0.00289675/step, 2.79279 hours remaining, 204.082031 MB of memory in use. ENERGY: 1529200 775.1004 2095.7477 1970.2465 120.2241 -206068.7028 17664.1468 0.0000 0.0000 34310.9618 -149132.2755 299.6462 -183443.2373 -149035.6627 299.3537 -166.8649 -133.3506 557568.0234 -11.0635 -11.1513 PRESSURE: 1529400 -1.33524 38.1425 -1.5974 38.1419 420.74 8.61238 -1.59818 8.61191 -108.491 GPRESSURE: 1529400 -24.7466 55.3518 -29.8957 29.4948 427.575 0.62299 86.7493 3.30262 15.6738 PRESSAVG: 1529400 18.2789 -39.8986 -8.79349 -39.8986 39.4021 14.998 -8.79348 14.998 -87.7557 GPRESSAVG: 1529400 17.7399 -40.8417 -6.42084 -37.8379 40.1382 13.3312 -9.23026 18.5774 -87.4851 TIMING: 1529400 CPU: 4441.93, 0.0029067/step Wall: 4441.93, 0.0029067/step, 2.80222 hours remaining, 204.082031 MB of memory in use. ENERGY: 1529400 729.5083 2129.6814 1951.8863 99.8932 -206305.1910 17959.2330 0.0000 0.0000 34271.8432 -149163.1457 299.3045 -183434.9889 -149074.7782 298.4339 103.6379 139.5009 556287.0967 -10.0249 -9.8690 PRESSURE: 1529600 -44.1322 -9.86755 -88.177 -9.86778 -48.4057 -65.8077 -88.176 -65.8094 -188.152 GPRESSURE: 1529600 -22.9177 -77.553 -67.7016 -0.946737 -49.0186 -30.1351 -179.982 -4.17606 -116.024 PRESSAVG: 1529600 -25.4218 0.483085 -62.5459 0.483083 47.4299 -35.739 -62.5459 -35.7389 18.3849 GPRESSAVG: 1529600 -25.85 -0.944644 -63.7743 -0.90949 47.08 -33.4697 -62.2543 -37.371 18.8157 TIMING: 1529600 CPU: 4442.51, 0.0028948/step Wall: 4442.51, 0.0028948/step, 2.79059 hours remaining, 204.082031 MB of memory in use. ENERGY: 1529600 755.4580 2128.4432 1938.9530 109.3544 -206187.8212 17773.1733 0.0000 0.0000 34441.1519 -149041.2875 300.7831 -183482.4394 -148936.3237 299.5808 -93.5634 -62.6535 557108.7103 13.4643 13.3485 PRESSURE: 1529800 203.313 110.436 -17.7531 110.435 70.5762 51.6015 -17.7524 51.6012 203.167 GPRESSURE: 1529800 265.732 92.663 81.8977 100.063 99.4877 80.3459 -68.5901 8.19414 211.304 PRESSAVG: 1529800 71.8604 0.964193 -25.8216 0.964101 -49.4301 -55.5974 -25.8216 -55.5973 -49.3063 GPRESSAVG: 1529800 73.2033 1.09673 -26.3357 0.541973 -49.9431 -55.3256 -24.7931 -56.0425 -50.1611 TIMING: 1529800 CPU: 4443.08, 0.00289629/step Wall: 4443.08, 0.00289629/step, 2.79186 hours remaining, 204.082031 MB of memory in use. ENERGY: 1529800 740.1851 2151.2827 1948.8267 117.6050 -206315.9233 17962.9990 0.0000 0.0000 34132.7840 -149262.2408 298.0901 -183395.0247 -149166.7359 299.8828 159.0188 192.1745 556441.8513 -8.9586 -8.9670 PRESSURE: 1530000 85.3785 -51.1295 -37.9116 -51.1312 210.532 -36.2853 -37.913 -36.2854 225.697 GPRESSURE: 1530000 108.271 -108.795 -148.978 63.2533 296.972 -77.0474 84.3092 -65.8067 215.51 PRESSAVG: 1530000 6.19601 -37.6806 -26.2762 -37.6806 -32.3479 -34.1284 -26.2761 -34.1284 -4.88702 GPRESSAVG: 1530000 5.32973 -35.1604 -26.096 -37.7057 -30.5158 -33.2858 -25.5397 -33.6252 -6.24252 TIMING: 1530000 CPU: 4443.66, 0.00288011/step Wall: 4443.66, 0.00288011/step, 2.77611 hours remaining, 204.082031 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: 1530000 742.6773 2115.4837 1979.8288 108.7726 -206379.3296 18065.0831 0.0000 0.0000 34223.3636 -149144.1206 298.8811 -183367.4842 -149045.7325 299.6835 173.8692 206.9176 556265.8689 -10.3463 -10.4762 PRESSURE: 1530200 -143.388 -129.813 223.839 -129.813 447.411 -118.175 223.84 -118.174 -403.197 GPRESSURE: 1530200 -94.3754 -120.78 291.188 -143.978 476.512 -53.1845 151.745 -118.774 -381.846 PRESSAVG: 1530200 -30.3554 -62.5856 35.8743 -62.5857 76.0296 -31.0112 35.8742 -31.0113 1.58661 GPRESSAVG: 1530200 -28.7266 -62.912 36.8031 -63.2366 74.136 -32.1106 35.0546 -30.0772 2.51425 TIMING: 1530200 CPU: 4444.24, 0.00289206/step Wall: 4444.24, 0.00289206/step, 2.78746 hours remaining, 204.082031 MB of memory in use. ENERGY: 1530200 768.4975 2074.7787 1921.6212 95.1030 -206178.2590 17688.8934 0.0000 0.0000 34341.3332 -149288.0320 299.9114 -183629.3652 -149196.5546 299.2795 -33.0581 0.0970 554912.0311 15.7536 15.9746 PRESSURE: 1530400 -20.2946 151.004 72.1219 151.004 54.5919 52.4933 72.1227 52.4924 -80.4233 GPRESSURE: 1530400 24.3589 155.565 99.95 66.8322 102.271 52.4375 -16.5836 -6.00557 -82.0772 PRESSAVG: 1530400 9.36306 14.0041 2.45056 14.004 -4.68713 3.42139 2.45055 3.42139 10.4332 GPRESSAVG: 1530400 8.45229 13.694 3.82924 13.8413 -4.01065 4.77377 2.95167 0.45988 10.94 TIMING: 1530400 CPU: 4444.82, 0.00292641/step Wall: 4444.82, 0.00292641/step, 2.82041 hours remaining, 204.082031 MB of memory in use. ENERGY: 1530400 762.5827 2085.4539 1946.2365 133.1510 -206263.1284 17758.1968 0.0000 0.0000 34442.2630 -149135.2445 300.7928 -183577.5075 -149037.1728 299.8725 -15.3753 14.8508 556536.0147 5.0364 5.1272 PRESSURE: 1530600 114.029 -125.345 28.9405 -125.344 -34.3012 -94.4105 28.9407 -94.4091 -99.6917 GPRESSURE: 1530600 164.44 -36.7685 -31.9812 -124.964 -12.664 -123.247 38.2038 -135.101 -90.0235 PRESSAVG: 1530600 -64.144 23.0561 61.4616 23.0561 39.6162 -28.7329 61.4616 -28.733 45.562 GPRESSAVG: 1530600 -63.6317 23.9046 60.4917 24.6925 39.56 -29.9861 60.7803 -27.6097 44.6159 TIMING: 1530600 CPU: 4445.4, 0.00289405/step Wall: 4445.4, 0.00289405/step, 2.78906 hours remaining, 204.082031 MB of memory in use. ENERGY: 1530600 738.3339 2142.8426 1971.9955 109.3955 -205987.3326 17534.3867 0.0000 0.0000 34264.7080 -149225.6703 299.2422 -183490.3784 -149124.3237 299.3904 -6.6545 20.5840 555835.5776 7.0114 6.8481 PRESSURE: 1530800 -299.698 -8.24274 172.088 -8.24148 -262.787 -7.2333 172.087 -7.23289 -78.6786 GPRESSURE: 1530800 -272.088 1.4132 238.345 -42.9374 -221.762 -4.81577 191.615 26.3171 -48.9286 PRESSAVG: 1530800 12.047 -2.99102 54.4364 -2.99099 -18.1563 -5.9704 54.4363 -5.97038 -42.5817 GPRESSAVG: 1530800 10.422 -6.39332 55.738 -1.95803 -17.6737 -5.63907 56.1385 -7.06865 -41.2102 TIMING: 1530800 CPU: 4445.98, 0.00288391/step Wall: 4445.98, 0.00288391/step, 2.77913 hours remaining, 204.082031 MB of memory in use. ENERGY: 1530800 735.9649 2098.1215 1922.7587 111.8538 -205586.5359 17447.1931 0.0000 0.0000 34006.0943 -149264.5495 296.9837 -183270.6438 -149169.1466 299.0227 -213.7211 -180.9264 557092.2301 -16.2303 -16.1540 PRESSURE: 1531000 -129.776 157.865 -139.684 157.866 -251.368 28.0744 -139.684 28.0733 172.801 GPRESSURE: 1531000 -117.137 122.461 -76.9532 71.9343 -170.922 18.5415 -96.6092 47.361 174.533 PRESSAVG: 1531000 38.2806 -2.36843 -17.123 -2.36848 -42.3607 23.3513 -17.123 23.3512 18.5647 GPRESSAVG: 1531000 40.1076 -0.723184 -16.0308 -4.24221 -43.3182 23.3019 -19.2265 23.4277 18.082 TIMING: 1531000 CPU: 4446.56, 0.0028867/step Wall: 4446.56, 0.0028867/step, 2.78166 hours remaining, 204.082031 MB of memory in use. ENERGY: 1531000 775.1667 2119.8184 1968.3219 115.8988 -206467.1522 17776.0966 0.0000 0.0000 34221.0579 -149490.7919 298.8610 -183711.8498 -149385.2869 298.3801 -69.4477 -37.8422 556135.8003 4.8282 4.9572 PRESSURE: 1531200 -69.6409 82.0356 121.748 82.0356 -51.9748 -99.02 121.749 -99.0191 -217.459 GPRESSURE: 1531200 -42.2683 168.158 142.87 95.8099 -6.91787 -122.557 93.8949 -138.848 -206.899 PRESSAVG: 1531200 20.0712 12.2298 1.5783 12.2298 -43.1253 23.6766 1.57837 23.6766 3.07721 GPRESSAVG: 1531200 19.3926 12.7352 -2.26625 13.7843 -42.3795 23.7641 3.45866 23.4872 2.33895 TIMING: 1531200 CPU: 4447.14, 0.00289377/step Wall: 4447.14, 0.00289377/step, 2.78831 hours remaining, 204.082031 MB of memory in use. ENERGY: 1531200 746.8807 2142.6012 1974.0240 127.0646 -206014.6867 17511.7572 0.0000 0.0000 34072.4404 -149439.9186 297.5631 -183512.3589 -149348.2503 299.1934 -113.0250 -85.3618 557030.5052 -6.6589 -6.8826 PRESSURE: 1531400 -172.227 -152.487 -105.543 -152.487 93.6012 51.5225 -105.544 51.5221 43.7337 GPRESSURE: 1531400 -136.874 -62.3282 -119.267 -110.852 146.76 -49.8529 -171.358 181.336 51.4757 PRESSAVG: 1531400 -49.7702 -21.7273 0.378558 -21.7272 63.8182 17.9024 0.378575 17.9023 25.1173 GPRESSAVG: 1531400 -50.8525 -21.6008 2.42496 -21.269 63.585 19.4644 -3.93367 17.9762 26.2434 TIMING: 1531400 CPU: 4447.71, 0.0028913/step Wall: 4447.71, 0.0028913/step, 2.78577 hours remaining, 204.082031 MB of memory in use. ENERGY: 1531400 733.8581 2106.4800 1971.1445 116.9412 -206167.0193 17719.1058 0.0000 0.0000 34200.5411 -149318.9487 298.6818 -183519.4898 -149227.0819 299.0824 -11.6306 20.4540 557946.7764 13.0551 12.9920 PRESSURE: 1531600 -125.528 -1.36485 -0.0673545 -1.36519 37.0825 115.528 -0.0678494 115.529 -68.6052 GPRESSURE: 1531600 -120.944 -84.4433 85.9465 64.5047 63.2483 80.1369 -14.7882 84.7919 -9.9177 PRESSAVG: 1531600 -13.1988 -31.7311 -8.8945 -31.7311 -50.7727 -18.6771 -8.89445 -18.677 40.8542 GPRESSAVG: 1531600 -12.583 -30.2836 -10.2527 -33.5305 -50.4581 -19.6117 -5.47158 -18.0082 39.9305 TIMING: 1531600 CPU: 4448.29, 0.00290034/step Wall: 4448.29, 0.00290034/step, 2.79432 hours remaining, 204.082031 MB of memory in use. ENERGY: 1531600 725.8243 2107.2331 1953.0905 125.4624 -206146.7073 17731.5872 0.0000 0.0000 34081.7586 -149421.7512 297.6445 -183503.5098 -149323.7923 298.0426 -52.3502 -22.5378 556582.8567 -7.7058 -7.7035 PRESSURE: 1531800 310.08 66.464 63.1929 66.4645 -54.4022 -32.9507 63.1924 -32.9512 91.2037 GPRESSURE: 1531800 352.557 72.3994 111.457 70.8821 -17.2895 -110.521 -10.5065 13.9798 98.8492 PRESSAVG: 1531800 38.5836 -26.2592 -0.251278 -26.259 8.90424 -51.8392 -0.251292 -51.8391 -9.30497 GPRESSAVG: 1531800 39.6021 -27.9965 -0.826737 -24.8603 8.53351 -53.1525 -0.596197 -51.2055 -9.63013 TIMING: 1531800 CPU: 4448.88, 0.00290754/step Wall: 4448.88, 0.00290754/step, 2.80109 hours remaining, 204.082031 MB of memory in use. ENERGY: 1531800 754.4365 2123.9569 1940.2548 113.6666 -206633.1784 18027.5260 0.0000 0.0000 34287.9936 -149385.3440 299.4456 -183673.3377 -149290.1280 298.6224 115.6271 144.7055 555689.7429 12.7276 12.8352 PRESSURE: 1532000 216.92 59.6527 21.4689 59.6522 -110.942 -89.1011 21.4687 -89.1006 -107.378 GPRESSURE: 1532000 230.665 34.9048 35.713 -0.115564 -51.1438 -64.0859 28.7556 -130.739 -68.9771 PRESSAVG: 1532000 79.9066 -25.4412 -20.3117 -25.4411 -50.2086 3.8286 -20.3117 3.82857 -63.8147 GPRESSAVG: 1532000 79.5623 -22.5536 -21.0418 -25.9669 -50.8715 5.33716 -21.2789 2.61666 -62.398 TIMING: 1532000 CPU: 4449.46, 0.00290196/step Wall: 4449.46, 0.00290196/step, 2.79556 hours remaining, 204.082031 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: 1532000 736.1562 2103.1320 1932.9957 118.3426 -206262.7083 17809.2383 0.0000 0.0000 34292.4766 -149270.3669 299.4847 -183562.8436 -149166.2835 299.2492 -0.4666 36.8481 556006.6226 -11.3722 -11.2357 PRESSURE: 1532200 -1.99679 0.419396 0.382652 0.419994 341.147 41.4897 0.381579 41.488 -72.5813 GPRESSURE: 1532200 44.2917 29.3954 49.7031 7.73005 341.272 36.2574 9.63812 5.25438 -24.6382 PRESSAVG: 1532200 22.0554 55.5852 19.6594 55.5851 4.23898 -55.2054 19.6595 -55.2054 -28.1303 GPRESSAVG: 1532200 22.8539 53.1042 22.8928 56.3446 4.99617 -55.9669 17.1593 -57.5076 -29.5491 TIMING: 1532200 CPU: 4450.04, 0.0029064/step Wall: 4450.04, 0.0029064/step, 2.79968 hours remaining, 204.082031 MB of memory in use. ENERGY: 1532200 743.9322 2116.9365 1946.1466 138.1269 -206417.5888 17976.2166 0.0000 0.0000 34283.5975 -149212.6325 299.4072 -183496.2300 -149112.1878 299.7829 88.8564 120.3084 555511.4624 -0.6120 -0.5664 LDB: ============= START OF LOAD BALANCING ============== 4453.5 LDB: ============== END OF LOAD BALANCING =============== 4453.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4453.5 LDB: ============= START OF LOAD BALANCING ============== 4453.79 LDB: Largest compute 4821 load 0.029760 is 25.3% of average load 0.117720 LDB: Average compute 0.001718 is 1.5% of average load 0.117720 LDB: TIME 4453.8 LOAD: AVG 0.11772 MAX 0.177868 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.172 MB LDB: TIME 4453.8 LOAD: AVG 0.11772 MAX 0.177868 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: TIME 4453.8 LOAD: AVG 0.11772 MAX 0.177868 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: ============== END OF LOAD BALANCING =============== 4453.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4453.8 PRESSURE: 1532400 242.631 67.7585 -135.539 67.7599 -42.7172 147.276 -135.538 147.274 56.5414 GPRESSURE: 1532400 252.348 125.314 -153.685 -38.4179 -13.3465 79.3917 -83.3919 6.1116 107.197 PRESSAVG: 1532400 13.6352 26.6324 -40.0612 26.6323 48.4818 -30.2587 -40.0612 -30.2587 -26.0566 GPRESSAVG: 1532400 11.1605 28.0566 -43.7538 25.4044 48.5446 -30.5523 -35.1478 -27.425 -24.2318 TIMING: 1532400 CPU: 4450.63, 0.00295093/step Wall: 4450.63, 0.00295093/step, 2.8424 hours remaining, 203.312500 MB of memory in use. ENERGY: 1532400 757.8014 2137.2912 1935.8827 107.2156 -206255.3947 17978.2368 0.0000 0.0000 34187.1048 -149151.8621 298.5645 -183338.9669 -149051.4915 299.2522 85.4852 115.3997 557461.8037 12.0201 11.8244 PRESSURE: 1532600 -107.447 -101.673 -112.556 -101.672 -21.0598 50.6434 -112.555 50.6431 -208.282 GPRESSURE: 1532600 -76.1784 -93.0919 -118.702 -170.133 -24.875 5.63463 -157.102 8.72937 -132.321 PRESSAVG: 1532600 40.828 46.8272 -55.8481 46.8271 18.159 -9.26221 -55.8481 -9.26217 -40.1173 GPRESSAVG: 1532600 41.7423 46.1936 -53.0812 47.5346 17.4017 -13.1652 -55.9166 -8.22846 -40.3903 TIMING: 1532600 CPU: 4451.21, 0.00289112/step Wall: 4451.21, 0.00289112/step, 2.78463 hours remaining, 203.312500 MB of memory in use. ENERGY: 1532600 761.7155 2118.0751 1981.7354 117.8261 -206407.7340 17800.3187 0.0000 0.0000 34246.3043 -149381.7589 299.0815 -183628.0632 -149281.0235 299.0085 -112.2630 -77.7915 556974.5045 6.2899 6.2512 PRESSURE: 1532800 -311.417 211.468 59.8761 211.467 -138.828 -123.937 59.8752 -123.936 1.02433 GPRESSURE: 1532800 -203.734 164.623 97.1227 185.62 -168.53 -86.35 54.0858 -79.562 29.9948 PRESSAVG: 1532800 51.7789 -13.0184 -28.7972 -13.0184 -34.5338 -59.5377 -28.7972 -59.5378 -9.10735 GPRESSAVG: 1532800 51.56 -11.9517 -29.8903 -11.5742 -33.8581 -56.9522 -32.1066 -59.9194 -9.71685 TIMING: 1532800 CPU: 4451.79, 0.00290223/step Wall: 4451.79, 0.00290223/step, 2.79517 hours remaining, 203.554688 MB of memory in use. ENERGY: 1532800 757.2923 2111.7340 1926.8347 108.0475 -205997.1303 17642.7987 0.0000 0.0000 34024.4897 -149425.9333 297.1443 -183450.4230 -149326.7632 298.6004 -149.7400 -114.0897 557185.6172 2.7126 2.6617 PRESSURE: 1533000 276.723 -172.214 92.8503 -172.216 -53.5648 -30.9088 92.8506 -30.9078 -2.99057 GPRESSURE: 1533000 281.614 -187.446 65.0035 -127.906 -39.6972 -71.5096 120.386 -63.6325 77.0636 PRESSAVG: 1533000 109.029 3.53466 -7.74614 3.53466 -29.2201 -55.416 -7.74619 -55.4161 -16.1169 GPRESSAVG: 1533000 108.403 4.57308 -8.55343 1.80371 -28.6406 -55.2713 -4.80397 -56.2666 -16.0444 TIMING: 1533000 CPU: 4452.37, 0.00289991/step Wall: 4452.37, 0.00289991/step, 2.79277 hours remaining, 203.554688 MB of memory in use. ENERGY: 1533000 751.5793 2109.1306 1930.4984 106.9101 -206026.5372 17723.1826 0.0000 0.0000 34110.1223 -149295.1140 297.8922 -183405.2363 -149205.3082 298.4655 73.3891 106.3268 555307.1439 21.2306 21.2394 PRESSURE: 1533200 -68.9489 79.4411 -107.409 79.4422 -115.666 30.1389 -107.409 30.1393 46.2526 GPRESSURE: 1533200 7.20377 47.5444 -86.1313 20.3368 -133.957 29.6276 -103.385 2.37091 91.7238 PRESSAVG: 1533200 29.3195 -27.1795 -29.9046 -27.1796 -55.8299 -49.0102 -29.9047 -49.0103 -6.64512 GPRESSAVG: 1533200 30.1229 -28.0057 -29.0334 -26.8248 -56.3358 -49.6434 -32.9376 -49.2157 -6.64702 TIMING: 1533200 CPU: 4452.95, 0.00290412/step Wall: 4452.95, 0.00290412/step, 2.79666 hours remaining, 203.554688 MB of memory in use. ENERGY: 1533200 771.1338 2087.1787 1930.6735 120.0921 -206183.1282 17821.4656 0.0000 0.0000 34114.8138 -149337.7707 297.9332 -183452.5844 -149247.9911 298.6846 -46.1207 -11.6766 556092.5330 -11.0518 -10.9533 PRESSURE: 1533400 251.089 -61.5352 -110.866 -61.5373 71.8602 40.7796 -110.865 40.7795 -89.8604 GPRESSURE: 1533400 291.17 -135.368 -153.269 7.10912 97.1683 20.0477 -50.2715 26.2149 -55.0724 PRESSAVG: 1533400 39.8338 -32.2969 -35.3746 -32.2969 0.396241 17.8041 -35.3745 17.8041 -19.1393 GPRESSAVG: 1533400 39.3367 -32.2868 -35.8662 -33.9739 0.865975 16.7949 -34.1289 18.688 -18.9392 TIMING: 1533400 CPU: 4453.53, 0.00291745/step Wall: 4453.53, 0.00291745/step, 2.80934 hours remaining, 203.554688 MB of memory in use. ENERGY: 1533400 724.8768 2148.9773 1975.6910 107.4651 -206399.2213 17909.3835 0.0000 0.0000 34157.2387 -149375.5889 298.3037 -183532.8276 -149283.3282 298.3477 77.6962 111.0888 556463.6307 7.0303 7.0878 PRESSURE: 1533600 -54.0665 -114.764 -129.262 -114.763 -360.443 -62.136 -129.264 -62.1356 -176.407 GPRESSURE: 1533600 -29.5555 -57.2066 -106.256 -149.252 -254.492 18.8415 -82.3316 -59.8666 -224.213 PRESSAVG: 1533600 3.11379 -25.3102 -30.8562 -25.3101 -57.0567 -4.80012 -30.8562 -4.80015 22.5482 GPRESSAVG: 1533600 4.08407 -25.0231 -29.9962 -24.8223 -58.2498 -0.827421 -30.4204 -7.68438 22.4351 TIMING: 1533600 CPU: 4454.12, 0.00292449/step Wall: 4454.12, 0.00292449/step, 2.81596 hours remaining, 203.554688 MB of memory in use. ENERGY: 1533600 762.9379 2066.6770 1964.7098 112.3651 -205847.8512 17367.6448 0.0000 0.0000 34152.7163 -149420.8004 298.2642 -183573.5167 -149320.7701 298.4295 -196.9722 -169.4199 555609.0220 -10.4649 -10.5769 PRESSURE: 1533800 -114.051 -85.8598 60.8293 -85.8601 -79.471 -104.086 60.8302 -104.085 35.1095 GPRESSURE: 1533800 -79.0617 -55.6895 42.6966 -76.0385 -7.75302 -64.7129 43.3334 -131.511 23.0289 PRESSAVG: 1533800 42.3715 -30.8131 -8.32263 -30.8131 -17.4068 -9.11577 -8.32261 -9.11585 41.6013 GPRESSAVG: 1533800 40.8229 -32.7276 -6.29173 -27.898 -15.4498 -12.1675 -11.0452 -6.58666 41.1671 TIMING: 1533800 CPU: 4454.7, 0.00293462/step Wall: 4454.7, 0.00293462/step, 2.82555 hours remaining, 203.554688 MB of memory in use. ENERGY: 1533800 759.6099 2026.4078 1958.6921 114.2357 -206373.1648 17808.9846 0.0000 0.0000 34206.7604 -149498.4743 298.7361 -183705.2347 -149403.8748 298.3459 -52.8040 -21.2619 556697.6213 22.1886 22.1801 PRESSURE: 1534000 29.1309 37.2039 162.98 37.2024 -280.296 233.686 162.978 233.688 -4.6332 GPRESSURE: 1534000 31.1649 80.5834 229.188 22.5232 -254.07 305.792 147.486 222.461 66.6302 PRESSAVG: 1534000 -25.9838 6.31596 -10.3023 6.31597 -10.2762 39.5494 -10.3023 39.5494 7.71948 GPRESSAVG: 1534000 -25.4847 6.37226 -14.6186 4.92883 -13.168 41.2382 -6.32376 38.2747 9.56421 TIMING: 1534000 CPU: 4455.28, 0.00290827/step Wall: 4455.28, 0.00290827/step, 2.80002 hours remaining, 203.554688 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: 1534000 756.1647 2024.9149 1982.4627 110.8577 -206254.6074 17773.3856 0.0000 0.0000 34227.4046 -149379.4172 298.9164 -183606.8218 -149285.9700 298.2137 -85.2662 -52.0915 558973.4168 -9.5135 -9.6961 PRESSURE: 1534200 15.6728 70.7688 -84.5392 70.7673 -352.145 140.701 -84.5402 140.702 77.174 GPRESSURE: 1534200 -5.13671 84.7521 -49.7864 102.392 -275.716 154.5 -43.8788 109.483 106.28 PRESSAVG: 1534200 -56.8151 -2.23535 52.2427 -2.23529 -31.8937 47.1076 52.2428 47.1076 52.597 GPRESSAVG: 1534200 -56.5511 0.628164 53.5828 -3.14041 -31.0756 46.9748 52.4318 48.3289 51.6541 TIMING: 1534200 CPU: 4455.86, 0.00287695/step Wall: 4455.86, 0.00287695/step, 2.76971 hours remaining, 203.554688 MB of memory in use. ENERGY: 1534200 718.1747 2052.4261 1954.6566 116.3327 -206503.5121 17971.0740 0.0000 0.0000 34265.9928 -149424.8552 299.2534 -183690.8480 -149325.0181 298.1376 -86.4328 -58.1909 559466.8990 -12.0373 -11.9909 PRESSURE: 1534400 114.746 -106.607 57.34 -106.608 -119.976 29.6784 57.3407 29.6763 217.567 GPRESSURE: 1534400 105.621 -16.1243 32.868 -55.2564 -51.9438 42.5132 61.922 27.0583 262.09 PRESSAVG: 1534400 -12.5544 -7.90584 0.0609959 -7.9059 3.31939 21.4958 0.0609144 21.4958 50.453 GPRESSAVG: 1534400 -13.1808 -10.8085 0.27555 -5.83976 4.69829 19.3579 -2.15798 21.1418 49.9627 TIMING: 1534400 CPU: 4456.44, 0.0029037/step Wall: 4456.44, 0.0029037/step, 2.79529 hours remaining, 203.554688 MB of memory in use. ENERGY: 1534400 699.8186 2108.4585 1965.1506 128.9404 -206176.2569 17797.1577 0.0000 0.0000 33885.6944 -149591.0367 295.9322 -183476.7311 -149490.4594 298.4673 70.7789 105.2559 557222.8225 13.7393 13.8267 PRESSURE: 1534600 -96.1149 -37.205 74.9582 -37.2049 -217.927 -60.1984 74.9595 -60.2002 -1.11256 GPRESSURE: 1534600 -90.0063 35.2734 14.0078 -98.5216 -174.47 -49.8426 89.2876 -50.9921 37.8007 PRESSAVG: 1534600 -25.06 59.7137 55.204 59.7137 0.528135 48.7396 55.2041 48.7396 15.2916 GPRESSAVG: 1534600 -24.2813 59.0987 56.4155 56.4827 -0.545643 48.9311 54.9559 49.487 15.2189 TIMING: 1534600 CPU: 4457.02, 0.00291296/step Wall: 4457.02, 0.00291296/step, 2.80405 hours remaining, 203.554688 MB of memory in use. ENERGY: 1534600 713.2729 2088.5766 1964.0101 124.6337 -206567.6913 17653.6246 0.0000 0.0000 34237.6105 -149785.9629 299.0056 -184023.5734 -149691.2682 297.3057 -105.0514 -75.5584 556809.0112 -3.0801 -3.2027 PRESSURE: 1534800 -52.791 68.3257 14.7511 68.3271 -9.7085 13.8987 14.7513 13.9004 57.1774 GPRESSURE: 1534800 28.5752 111.598 -43.6549 58.274 8.13551 -6.25276 62.7046 -19.4807 62.3535 PRESSAVG: 1534800 7.07703 -0.00757914 -9.686 -0.00760665 -75.2507 21.6496 -9.68604 21.6497 71.0279 GPRESSAVG: 1534800 5.06454 1.77314 -11.4762 2.13525 -74.656 20.6866 -8.48774 21.7435 72.3246 TIMING: 1534800 CPU: 4457.6, 0.0028989/step Wall: 4457.6, 0.0028989/step, 2.79035 hours remaining, 203.554688 MB of memory in use. ENERGY: 1534800 747.9103 2116.4841 1994.9079 113.9839 -206665.8452 17911.6890 0.0000 0.0000 33931.6925 -149849.1775 296.3339 -183780.8700 -149760.1332 297.1503 -1.7740 33.0214 556988.2402 0.9514 0.9111 PRESSURE: 1535000 -266.505 -75.1431 17.5368 -75.1433 16.1123 -83.6731 17.5363 -83.6739 160.948 GPRESSURE: 1535000 -281.806 -36.6978 90.5949 -89.112 81.4128 -46.0171 -24.9608 16.8873 194.699 PRESSAVG: 1535000 -10.3419 -26.5844 6.67924 -26.5844 -12.4331 36.221 6.67924 36.2211 27.8277 GPRESSAVG: 1535000 -9.91201 -28.5449 7.07771 -26.256 -12.7092 38.0145 7.78219 37.2987 27.4164 TIMING: 1535000 CPU: 4458.18, 0.00288463/step Wall: 4458.18, 0.00288463/step, 2.77646 hours remaining, 203.554688 MB of memory in use. ENERGY: 1535000 727.9637 2150.7914 1975.2487 114.7605 -206643.0089 17840.0262 0.0000 0.0000 34157.2130 -149677.0055 298.3034 -183834.2185 -149580.6983 297.5057 -29.8149 -1.8980 558275.6053 1.6842 1.5984 PRESSURE: 1535200 62.9113 146.379 161.787 146.379 -74.8623 205.641 161.786 205.641 173.55 GPRESSURE: 1535200 135.066 9.8257 180.811 171.054 -91.126 96.3412 156.574 261.714 223.907 PRESSAVG: 1535200 10.2946 -61.552 31.0624 -61.552 -18.3463 15.7772 31.0623 15.7773 14.3792 GPRESSAVG: 1535200 10.7506 -60.5327 31.5261 -62.4372 -19.1357 16.9979 28.2056 14.4229 14.0013 TIMING: 1535200 CPU: 4458.76, 0.0029097/step Wall: 4458.76, 0.0029097/step, 2.80042 hours remaining, 203.554688 MB of memory in use. ENERGY: 1535200 754.5465 2125.2784 1957.1899 108.6527 -206560.3780 17981.0051 0.0000 0.0000 34026.1317 -149607.5737 297.1587 -183633.7054 -149511.4757 297.4739 53.8663 89.2823 556908.5030 2.1092 1.8721 PRESSURE: 1535400 -274.532 -28.8272 12.8361 -28.8262 -410.702 -79.7123 12.8365 -79.7126 -186.925 GPRESSURE: 1535400 -249.665 -101.009 -2.45699 38.6606 -368.538 -70.1943 -17.2261 5.00117 -168.367 PRESSAVG: 1535400 -0.732116 -5.10205 -5.04045 -5.10202 -22.5043 4.77919 -5.04046 4.77927 62.2022 GPRESSAVG: 1535400 -0.342465 -6.29254 -4.7039 -6.04564 -22.1215 5.20861 -3.47242 4.81462 61.1714 TIMING: 1535400 CPU: 4459.34, 0.00288461/step Wall: 4459.34, 0.00288461/step, 2.77612 hours remaining, 203.554688 MB of memory in use. ENERGY: 1535400 778.0934 2147.5952 1983.4500 114.3879 -206369.6827 17591.6230 0.0000 0.0000 34315.8181 -149438.7151 299.6886 -183754.5332 -149340.8942 298.2510 -290.7199 -262.1898 558561.5945 12.9886 12.9025 PRESSURE: 1535600 -159.887 -80.1407 25.1605 -80.1398 -279.48 7.97807 25.1605 7.97765 -144.718 GPRESSURE: 1535600 -199.117 -75.082 55.7064 -101.642 -260.531 41.2158 31.2048 4.36044 -22.3488 PRESSAVG: 1535600 1.69818 27.0054 79.1497 27.0054 -46.7891 4.96682 79.1498 4.96672 14.3169 GPRESSAVG: 1535600 1.53338 27.3564 78.6968 28.8298 -46.8558 2.09039 78.3679 5.37083 14.1324 TIMING: 1535600 CPU: 4459.92, 0.00290045/step Wall: 4459.92, 0.00290045/step, 2.7912 hours remaining, 203.554688 MB of memory in use. ENERGY: 1535600 719.0968 2118.0300 1942.5678 125.0528 -206098.4633 17647.1134 0.0000 0.0000 34060.0171 -149486.5854 297.4546 -183546.6026 -149391.5139 298.1031 -194.6947 -160.6657 560039.4304 -10.2580 -10.3967 PRESSURE: 1535800 -98.2274 11.0832 -29.1322 11.081 -41.6117 -102.524 -29.1308 -102.525 -180.814 GPRESSURE: 1535800 -99.8166 -42.7946 -53.3515 46.0641 -33.0194 -112.669 -43.5693 -83.5269 -90.5354 PRESSAVG: 1535800 -34.3235 -15.6961 17.583 -15.6961 7.34977 -37.4104 17.5829 -37.4103 31.0608 GPRESSAVG: 1535800 -33.8363 -15.2371 16.684 -16.2031 6.73401 -36.29 17.539 -37.8297 31.2023 TIMING: 1535800 CPU: 4460.5, 0.00288597/step Wall: 4460.5, 0.00288597/step, 2.77711 hours remaining, 203.554688 MB of memory in use. ENERGY: 1535800 749.9206 2097.1664 1966.0985 116.9039 -206237.3517 17765.7924 0.0000 0.0000 34103.8260 -149437.6438 297.8372 -183541.4698 -149346.4963 298.0574 -106.8844 -74.4571 557269.5724 1.3624 1.3667 PRESSURE: 1536000 -73.0426 -33.3409 -101.069 -33.3407 35.115 127.657 -101.068 127.657 226.038 GPRESSURE: 1536000 -88.4744 77.8817 -65.7324 -53.834 136.523 42.9048 -133.365 227.853 244.006 PRESSAVG: 1536000 -1.64559 -44.678 -4.27092 -44.6781 -42.762 2.03019 -4.27101 2.03023 49.1725 GPRESSAVG: 1536000 -1.27148 -43.847 -3.36372 -44.4212 -42.7794 2.04326 -1.64416 1.52778 49.0292 TIMING: 1536000 CPU: 4461.08, 0.00290097/step Wall: 4461.08, 0.00290097/step, 2.79137 hours remaining, 203.554688 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: 1536000 743.6617 2080.0980 1934.4021 124.6755 -206632.0777 17943.3788 0.0000 0.0000 34385.9573 -149419.9044 300.3011 -183805.8617 -149322.1533 298.7720 62.7036 97.3518 556092.4707 1.5883 1.6594 PRESSURE: 1536200 -125.896 -33.151 59.1079 -33.1506 -271.166 -26.8184 59.1076 -26.8184 111.472 GPRESSURE: 1536200 -77.9227 -68.5742 6.815 30.7747 -261.832 -11.2747 -0.562251 -9.76448 153.38 PRESSAVG: 1536200 -60.0706 -21.1442 22.1801 -21.1442 -40.2281 -17.5674 22.1801 -17.5674 96.9591 GPRESSAVG: 1536200 -60.2833 -20.5594 23.555 -20.9902 -40.6173 -18.2613 20.3003 -17.7513 97.3806 TIMING: 1536200 CPU: 4461.66, 0.00290506/step Wall: 4461.66, 0.00290506/step, 2.79515 hours remaining, 203.554688 MB of memory in use. ENERGY: 1536200 725.7413 2165.8237 1938.8024 119.2247 -206140.0830 17727.4681 0.0000 0.0000 34097.3456 -149365.6770 297.7806 -183463.0227 -149270.5267 298.8593 -95.1968 -62.1250 558606.5424 -1.1132 -1.1733 LDB: ============= START OF LOAD BALANCING ============== 4465.13 LDB: ============== END OF LOAD BALANCING =============== 4465.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4465.13 LDB: ============= START OF LOAD BALANCING ============== 4465.42 LDB: Largest compute 4821 load 0.028631 is 24.3% of average load 0.117748 LDB: Average compute 0.001721 is 1.5% of average load 0.117748 LDB: TIME 4465.42 LOAD: AVG 0.117748 MAX 0.177344 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.633 MB LDB: TIME 4465.42 LOAD: AVG 0.117748 MAX 0.177344 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.879 MB LDB: TIME 4465.42 LOAD: AVG 0.117748 MAX 0.177344 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.879 MB LDB: ============== END OF LOAD BALANCING =============== 4465.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4465.43 PRESSURE: 1536400 53.9297 99.3878 -18.5914 99.3864 190.719 -147.2 -18.5916 -147.198 77.8299 GPRESSURE: 1536400 84.8001 75.1026 -101.167 75.0547 215.663 -53.6137 53.917 -147.029 113.741 PRESSAVG: 1536400 22.4218 -60.9614 11.1595 -60.9613 -12.4693 -34.1524 11.1595 -34.1524 39.5913 GPRESSAVG: 1536400 22.5063 -60.1247 8.11357 -61.391 -12.2168 -33.8998 11.3193 -34.2194 39.0274 TIMING: 1536400 CPU: 4462.25, 0.00298552/step Wall: 4462.25, 0.00298552/step, 2.8724 hours remaining, 205.332031 MB of memory in use. ENERGY: 1536400 730.2711 2158.2182 1927.7071 106.9456 -206655.6305 18016.8810 0.0000 0.0000 34285.8716 -149429.7359 299.4270 -183715.6076 -149332.1511 298.9987 107.4929 138.0681 556603.8797 16.5146 16.4390 PRESSURE: 1536600 -178.114 -83.7375 -25.215 -83.7381 54.0956 7.72497 -25.2146 7.72443 79.5537 GPRESSURE: 1536600 -98.4762 -154.587 -83.2834 -36.3082 74.5632 73.7025 -29.1808 -24.6821 86.9567 PRESSAVG: 1536600 -75.1629 9.45722 -27.0145 9.4572 111.261 -18.9965 -27.0145 -18.9967 -33.1488 GPRESSAVG: 1536600 -75.8653 8.05182 -24.9756 9.83016 111.171 -19.472 -28.4608 -17.0045 -32.5906 TIMING: 1536600 CPU: 4462.84, 0.00290677/step Wall: 4462.84, 0.00290677/step, 2.79647 hours remaining, 205.660156 MB of memory in use. ENERGY: 1536600 784.1749 2059.9814 1963.9248 111.9019 -206511.8094 17734.5536 0.0000 0.0000 34526.4487 -149330.8241 301.5281 -183857.2728 -149236.8672 298.9838 -14.8217 21.0146 556271.2367 0.9831 0.9051 PRESSURE: 1536800 -210.558 41.3829 -8.93367 41.3826 -81.0517 62.8677 -8.93314 62.867 28.2828 GPRESSURE: 1536800 -161.995 73.7348 -17.5961 11.4583 -89.7069 100.706 -30.1095 85.1606 100.31 PRESSAVG: 1536800 12.6638 -11.6867 -18.5566 -11.6867 -72.4364 7.92711 -18.5566 7.92722 82.4437 GPRESSAVG: 1536800 12.8032 -10.9981 -21.5449 -13.0438 -73.3454 7.3146 -16.4474 10.2477 83.1208 TIMING: 1536800 CPU: 4463.41, 0.00289587/step Wall: 4463.41, 0.00289587/step, 2.78583 hours remaining, 205.921875 MB of memory in use. ENERGY: 1536800 758.3058 2113.3363 1938.4674 120.5470 -206124.0502 17688.2031 0.0000 0.0000 34208.8858 -149296.3048 298.7547 -183505.1906 -149199.3821 299.2070 -87.7756 -50.4638 558374.7799 7.5571 7.5262 PRESSURE: 1537000 38.7743 -135.108 -10.4024 -135.108 157.312 -10.348 -10.4009 -10.3474 324.348 GPRESSURE: 1537000 64.7861 -103.305 0.43715 -152.444 172.36 14.4936 24.6734 -129.547 370.625 PRESSAVG: 1537000 -94.8717 37.3421 13.3977 37.3422 43.5804 -14.9211 13.3976 -14.9211 59.4268 GPRESSAVG: 1537000 -95.626 36.2705 16.4116 38.5687 44.3778 -15.6091 12.4818 -16.7365 59.211 TIMING: 1537000 CPU: 4463.99, 0.00288841/step Wall: 4463.99, 0.00288841/step, 2.77849 hours remaining, 205.921875 MB of memory in use. ENERGY: 1537000 749.9068 2071.6754 1956.8884 107.3275 -206434.4450 18127.6540 0.0000 0.0000 33927.1077 -149493.8853 296.2939 -183420.9930 -149397.8496 298.3802 173.4778 202.5902 556015.6372 2.7118 2.6543 PRESSURE: 1537200 167.631 41.9782 -26.9238 41.9784 -46.996 -130.29 -26.9242 -130.289 -10.308 GPRESSURE: 1537200 179.151 112.04 55.9496 -12.5058 28.4425 -47.8086 -42.2971 -144.682 -7.97306 PRESSAVG: 1537200 -28.6676 -37.1078 -0.548966 -37.1078 39.4162 -21.4461 -0.54902 -21.446 37.6234 GPRESSAVG: 1537200 -28.3473 -36.7497 -1.8918 -36.5913 40.0474 -19.5116 0.15128 -22.5724 36.4302 TIMING: 1537200 CPU: 4464.57, 0.00287336/step Wall: 4464.57, 0.00287336/step, 2.76386 hours remaining, 205.921875 MB of memory in use. ENERGY: 1537200 692.0600 2037.8602 1974.9847 104.6167 -206455.2773 17887.9504 0.0000 0.0000 34111.3154 -149646.4898 297.9026 -183757.8052 -149554.8624 298.0757 36.7758 66.5402 557212.5027 16.1240 16.0434 PRESSURE: 1537400 265.379 -150.765 -25.5373 -150.765 145.749 11.6453 -25.537 11.6464 76.9712 GPRESSURE: 1537400 318.396 -53.3631 -103.478 -130.163 141.288 29.8706 56.964 49.4357 139.514 PRESSAVG: 1537400 50.3749 44.7628 9.34717 44.7628 6.61376 47.2201 9.34714 47.2201 -67.5743 GPRESSAVG: 1537400 51.8557 46.1561 10.8895 43.3538 5.34417 47.505 7.9594 47.8656 -67.3226 TIMING: 1537400 CPU: 4465.15, 0.00289912/step Wall: 4465.15, 0.00289912/step, 2.78847 hours remaining, 205.921875 MB of memory in use. ENERGY: 1537400 743.6874 2080.6585 1949.1075 110.1817 -206890.4013 18202.2358 0.0000 0.0000 34179.2556 -149625.2747 298.4959 -183804.5303 -149533.4463 297.6981 162.6998 199.7326 556258.1559 -3.5286 -3.3742 PRESSURE: 1537600 222.659 38.8119 78.4679 38.8122 99.7649 -22.9614 78.4659 -22.9615 -12.439 GPRESSURE: 1537600 250.79 47.9261 34.3754 68.214 103.862 41.4818 93.7373 19.3157 51.2551 PRESSAVG: 1537600 70.7864 0.756204 23.521 0.756272 13.6471 1.60447 23.521 1.60453 -29.5548 GPRESSAVG: 1537600 71.0858 1.48067 22.9898 0.39966 11.965 1.13362 24.1738 1.37598 -28.1336 TIMING: 1537600 CPU: 4465.72, 0.00288564/step Wall: 4465.72, 0.00288564/step, 2.77534 hours remaining, 205.921875 MB of memory in use. ENERGY: 1537600 739.6985 2145.2908 1960.0811 114.1829 -206447.1756 17945.6477 0.0000 0.0000 34165.7384 -149376.5362 298.3779 -183542.2746 -149281.7160 298.2356 103.3282 135.3022 558690.4347 18.2929 18.3057 PRESSURE: 1537800 33.7931 -98.4572 -9.74081 -98.4574 -182.38 -30.7927 -9.74217 -30.7927 13.972 GPRESSURE: 1537800 75.3899 32.145 -9.97786 -157.795 -164.006 14.1384 -1.54875 32.7638 45.7817 PRESSAVG: 1537800 -34.2175 27.3875 47.3966 27.3875 -52.3707 17.698 47.3967 17.698 78.0116 GPRESSAVG: 1537800 -35.8638 28.0779 48.4526 29.0468 -49.9192 18.9857 47.4493 16.7731 76.9822 TIMING: 1537800 CPU: 4466.3, 0.00287754/step Wall: 4466.3, 0.00287754/step, 2.76739 hours remaining, 205.921875 MB of memory in use. ENERGY: 1537800 744.3222 2043.8147 1936.4924 106.9139 -206062.9795 17688.7094 0.0000 0.0000 34358.5622 -149184.1647 300.0619 -183542.7269 -149079.5141 299.1043 -44.8717 -14.2783 557983.4219 -2.8589 -2.9336 PRESSURE: 1538000 119.674 -50.5616 163.694 -50.5618 -234.687 -20.8765 163.695 -20.8764 173.086 GPRESSURE: 1538000 125.474 3.27098 135.15 -45.6189 -169.269 -48.4076 152.668 -7.36213 198.653 PRESSAVG: 1538000 29.4582 -24.7793 47.3972 -24.7793 -96.3607 40.8549 47.3971 40.8549 67.1005 GPRESSAVG: 1538000 29.4627 -26.26 46.3278 -26.2933 -96.9071 41.3044 47.7171 40.5956 67.323 TIMING: 1538000 CPU: 4466.87, 0.00287108/step Wall: 4466.87, 0.00287108/step, 2.76102 hours remaining, 205.921875 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: 1538000 748.8844 2063.4213 1961.4247 124.8167 -206384.7469 17809.2168 0.0000 0.0000 34325.7099 -149351.2731 299.7750 -183676.9830 -149255.7099 299.0783 19.3575 51.6194 557320.8646 0.0660 -0.0405 PRESSURE: 1538200 246.509 -102.18 -108.188 -102.181 140.458 -84.9056 -108.189 -84.9043 148.371 GPRESSURE: 1538200 242.344 -96.1872 51.2191 -29.1108 130.783 -158.813 -143.901 7.74346 249.558 PRESSAVG: 1538200 -17.9108 20.0282 36.7442 20.0282 -20.3961 12.603 36.7442 12.603 25.1827 GPRESSAVG: 1538200 -18.0942 20.0847 38.319 20.2545 -21.026 10.4753 35.6366 13.4954 26.5927 TIMING: 1538200 CPU: 4467.45, 0.00287142/step Wall: 4467.45, 0.00287142/step, 2.76119 hours remaining, 205.921875 MB of memory in use. ENERGY: 1538200 704.2094 2137.2073 1952.6529 108.2303 -206530.6968 18157.5594 0.0000 0.0000 34213.4716 -149257.3660 298.7948 -183470.8376 -149162.7468 298.9227 178.4460 207.5616 557000.9432 -4.3747 -4.1758 PRESSURE: 1538400 -347.38 65.5085 137.647 65.5071 -199.703 -17.0759 137.646 -17.0754 -147.711 GPRESSURE: 1538400 -275.863 61.9587 102.401 8.789 -197.617 48.3583 80.9521 18.7814 -123.34 PRESSAVG: 1538400 -10.7945 48.6622 44.0471 48.6621 -55.0051 -23.4691 44.047 -23.469 59.822 GPRESSAVG: 1538400 -10.1534 47.2551 43.5284 48.4282 -53.5817 -23.796 44.2858 -21.6211 58.0049 TIMING: 1538400 CPU: 4468.03, 0.00288505/step Wall: 4468.03, 0.00288505/step, 2.77414 hours remaining, 205.921875 MB of memory in use. ENERGY: 1538400 758.0581 2109.8474 1971.1596 123.4844 -205923.3824 17448.1064 0.0000 0.0000 34271.1045 -149241.6220 299.2981 -183512.7265 -149139.2263 298.6288 -231.5978 -198.9398 557270.0352 -1.9925 -1.9101 PRESSURE: 1538600 63.9012 12.0899 328.568 12.0904 179.895 -66.8682 328.568 -66.8696 -134.999 GPRESSURE: 1538600 132.97 37.1187 346.861 21.0619 171.264 -22.1997 248.405 -78.6695 -95.6352 PRESSAVG: 1538600 42.6959 19.1345 62.2484 19.1344 -28.5432 -7.20404 62.2485 -7.20397 -16.5732 GPRESSAVG: 1538600 42.5474 22.1335 61.533 19.4257 -28.2709 -6.47252 63.9331 -9.1812 -16.6827 TIMING: 1538600 CPU: 4468.6, 0.00289053/step Wall: 4468.6, 0.00289053/step, 2.77925 hours remaining, 205.921875 MB of memory in use. ENERGY: 1538600 731.6447 2158.5326 1956.3955 122.7050 -206322.2311 17967.0713 0.0000 0.0000 34145.7400 -149240.1418 298.2032 -183385.8819 -149150.0113 297.8567 36.2658 69.5329 557572.4404 -0.8068 -0.8021 PRESSURE: 1538800 -125.979 202.992 52.9528 202.991 0.935362 -64.4933 52.9517 -64.4936 -128.3 GPRESSURE: 1538800 -38.7013 177.737 5.72318 252.753 -19.9543 -133.036 30.5951 -27.4574 -100.09 PRESSAVG: 1538800 -5.94645 -31.8959 65.5709 -31.8959 38.4329 -4.05288 65.5709 -4.05284 -40.2312 GPRESSAVG: 1538800 -6.41159 -33.3082 65.179 -31.7533 36.9928 -4.93976 63.8972 -3.95815 -38.3981 TIMING: 1538800 CPU: 4469.18, 0.00289872/step Wall: 4469.18, 0.00289872/step, 2.78696 hours remaining, 205.921875 MB of memory in use. ENERGY: 1538800 771.3996 2048.1179 1932.2846 107.0914 -206098.9638 17656.9951 0.0000 0.0000 34454.6904 -149128.3848 300.9014 -183583.0751 -149025.4546 299.1316 -84.4479 -52.9153 556969.6771 -2.5816 -2.6056 PRESSURE: 1539000 -85.1123 65.6712 -181.391 65.6711 210.809 -104.344 -181.392 -104.344 113.062 GPRESSURE: 1539000 -42.5342 83.8616 -174.038 55.4808 225.39 -98.8985 -156.862 -112.544 154.936 PRESSAVG: 1539000 12.3025 5.52774 -65.5883 5.52777 -1.75372 -60.9275 -65.5884 -60.9275 55.6455 GPRESSAVG: 1539000 13.8854 5.04844 -64.7303 5.8937 -1.42733 -58.6751 -64.0861 -61.0967 53.7664 TIMING: 1539000 CPU: 4469.76, 0.00289412/step Wall: 4469.76, 0.00289412/step, 2.78238 hours remaining, 205.921875 MB of memory in use. ENERGY: 1539000 780.3048 2072.2541 1968.0953 123.4221 -206512.7928 18001.8066 0.0000 0.0000 34274.7854 -149292.1245 299.3302 -183566.9099 -149204.3063 299.1636 79.5862 112.5976 556343.7417 22.0648 22.0748 PRESSURE: 1539200 53.1996 22.7213 139.082 22.7205 -46.604 -91.235 139.082 -91.2357 165.89 GPRESSURE: 1539200 95.5547 -38.0651 153.35 53.9302 7.98112 -40.8455 120.138 -65.9263 169.533 PRESSAVG: 1539200 -42.4064 -17.3884 44.2154 -17.3884 46.5761 -77.4573 44.2154 -77.4573 24.0567 GPRESSAVG: 1539200 -43.5418 -17.3889 42.7626 -17.9847 46.6554 -79.4786 43.8366 -75.7794 25.5258 TIMING: 1539200 CPU: 4470.34, 0.00289084/step Wall: 4470.34, 0.00289084/step, 2.77906 hours remaining, 205.921875 MB of memory in use. ENERGY: 1539200 743.1331 2106.8035 1924.6266 112.6056 -206508.4664 18005.0975 0.0000 0.0000 34321.7413 -149294.4589 299.7403 -183616.2001 -149197.9005 299.3586 57.4953 91.0231 556907.9894 9.4088 9.5465 PRESSURE: 1539400 8.38535 -208.722 130.956 -208.722 -127.141 93.4345 130.956 93.4343 -220.68 GPRESSURE: 1539400 26.3655 -206.044 232.448 -189.373 -81.6475 136.077 172.307 63.1935 -197.5 PRESSAVG: 1539400 -36.9525 -17.0868 59.9347 -17.0867 59.5702 22.7942 59.9348 22.7942 -23.236 GPRESSAVG: 1539400 -36.6921 -16.943 62.0333 -16.9577 58.4189 22.5724 59.8667 22.2105 -22.4464 TIMING: 1539400 CPU: 4470.92, 0.00289817/step Wall: 4470.92, 0.00289817/step, 2.78595 hours remaining, 205.921875 MB of memory in use. ENERGY: 1539400 728.1954 2087.6097 1974.8260 117.9281 -205967.5983 17669.2812 0.0000 0.0000 34308.7068 -149081.0512 299.6265 -183389.7580 -148989.6411 298.9727 -113.1454 -84.2608 559654.9462 -0.2061 -0.2399 PRESSURE: 1539600 -230.811 -193.158 60.0567 -193.158 109.243 -92.2492 60.0565 -92.249 -132.468 GPRESSURE: 1539600 -202.47 -176.307 -1.26981 -236.757 175.43 -77.5336 108.416 -36.8542 -131.168 PRESSAVG: 1539600 -30.7797 -8.9698 55.5322 -8.96985 66.1184 -73.377 55.5323 -73.3769 -15.5544 GPRESSAVG: 1539600 -31.7211 -10.3588 55.4576 -6.92278 67.2234 -70.849 53.6228 -75.5109 -16.3441 TIMING: 1539600 CPU: 4471.5, 0.00290317/step Wall: 4471.5, 0.00290317/step, 2.79059 hours remaining, 205.921875 MB of memory in use. ENERGY: 1539600 773.2561 2034.1691 1942.7645 106.7595 -205946.8632 17678.9331 0.0000 0.0000 34420.7763 -148990.2046 300.6052 -183410.9809 -148891.6012 300.2363 -84.6783 -52.7363 558322.0966 6.5948 6.3861 PRESSURE: 1539800 -198.129 55.6937 29.4622 55.6932 -202.664 -18.7592 29.4621 -18.7585 3.15008 GPRESSURE: 1539800 -197.953 35.8987 -28.7198 108.774 -181.764 17.1938 103.138 0.81572 91.5295 PRESSAVG: 1539800 -24.6204 -27.7835 12.5588 -27.7834 -21.1583 -74.3244 12.5588 -74.3244 50.9457 GPRESSAVG: 1539800 -24.2265 -26.5958 9.29025 -29.2936 -22.0589 -76.738 16.0028 -71.8235 50.6434 TIMING: 1539800 CPU: 4472.08, 0.00290974/step Wall: 4472.08, 0.00290974/step, 2.79674 hours remaining, 205.921875 MB of memory in use. ENERGY: 1539800 758.2231 2083.0676 1925.7499 119.4809 -206090.3604 17824.2565 0.0000 0.0000 34344.9346 -149034.6478 299.9429 -183379.5824 -148940.3328 299.7372 -132.5477 -96.0626 559497.0230 1.7223 1.4526 PRESSURE: 1540000 173.758 -115.401 117.192 -115.401 111.332 -59.5116 117.191 -59.5133 155.002 GPRESSURE: 1540000 294.12 -56.0755 52.737 -75.139 111.754 -32.1605 48.0469 -38.5134 144.781 PRESSAVG: 1540000 -40.3765 -20.532 59.3914 -20.532 -82.6319 -56.9334 59.3914 -56.9335 104.163 GPRESSAVG: 1540000 -39.1872 -21.17 61.445 -19.267 -83.1183 -55.6925 55.7835 -57.6562 104.03 TIMING: 1540000 CPU: 4472.66, 0.00287507/step Wall: 4472.66, 0.00287507/step, 2.76327 hours remaining, 205.921875 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: 1540000 743.8407 2119.0126 1950.4251 115.5810 -206125.2478 17911.1196 0.0000 0.0000 34133.1711 -149152.0977 298.0935 -183285.2687 -149055.7256 299.9366 146.6972 183.5518 557433.1308 -6.2818 -6.0918 PRESSURE: 1540200 -109.507 14.6694 83.6742 14.6683 -16.8167 89.4338 83.6736 89.4356 -258.61 GPRESSURE: 1540200 -127.76 35.3916 128.789 12.9023 37.2948 71.5808 78.6365 -10.0041 -198.041 PRESSAVG: 1540200 -16.0411 -34.0541 63.1534 -34.0541 -16.6532 -9.31473 63.1533 -9.31459 -8.34384 GPRESSAVG: 1540200 -16.7983 -33.3464 62.7497 -35.4219 -15.7341 -7.10693 65.1655 -12.296 -8.28833 TIMING: 1540200 CPU: 4473.23, 0.00288094/step Wall: 4473.23, 0.00288094/step, 2.76874 hours remaining, 205.964844 MB of memory in use. ENERGY: 1540200 744.0607 2133.0979 1944.7369 106.9888 -205743.2566 17617.4134 0.0000 0.0000 34144.8350 -149052.1238 298.1953 -183196.9589 -148958.7143 299.4569 -128.3114 -96.1689 559028.2891 -13.6794 -13.6069 LDB: ============= START OF LOAD BALANCING ============== 4476.7 LDB: ============== END OF LOAD BALANCING =============== 4476.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4476.7 LDB: ============= START OF LOAD BALANCING ============== 4476.99 LDB: Largest compute 4821 load 0.029433 is 25.0% of average load 0.117725 LDB: Average compute 0.001723 is 1.5% of average load 0.117725 LDB: TIME 4476.99 LOAD: AVG 0.117725 MAX 0.176936 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.695 MB LDB: TIME 4476.99 LOAD: AVG 0.117725 MAX 0.176936 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.695 MB LDB: TIME 4476.99 LOAD: AVG 0.117725 MAX 0.176936 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.695 MB LDB: ============== END OF LOAD BALANCING =============== 4476.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4477 PRESSURE: 1540400 -137.218 36.4231 85.827 36.4233 -137.54 -128.719 85.8275 -128.718 -42.6654 GPRESSURE: 1540400 -70.6754 17.4378 36.8479 66.4223 -102.148 -148.964 71.9784 -192.862 -62.6877 PRESSAVG: 1540400 -12.7352 6.41206 42.2665 6.41196 -8.18504 5.43932 42.2666 5.4393 7.28654 GPRESSAVG: 1540400 -12.4056 6.50392 44.6739 5.75427 -9.5628 3.18591 41.2427 6.25138 7.87918 TIMING: 1540400 CPU: 4473.82, 0.00294045/step Wall: 4473.82, 0.00294045/step, 2.82577 hours remaining, 204.082031 MB of memory in use. ENERGY: 1540400 778.6217 2091.3779 1988.7676 106.7900 -206093.4401 17693.8325 0.0000 0.0000 34434.5679 -148999.4825 300.7256 -183434.0504 -148902.6562 299.9472 -105.8079 -78.5036 556530.4070 -4.5446 -4.6964 PRESSURE: 1540600 40.1796 -95.9446 141.602 -95.9435 -95.985 -97.0186 141.603 -97.0178 -95.8706 GPRESSURE: 1540600 -19.8831 -59.2578 208.955 -85.6298 -55.4445 -81.268 130.709 -83.7304 14.4588 PRESSAVG: 1540600 -18.2174 -30.3415 -9.04378 -30.3416 -55.4603 -3.37333 -9.04377 -3.37331 80.5933 GPRESSAVG: 1540600 -19.3033 -30.0541 -10.4706 -29.9948 -53.6028 -4.51119 -9.36986 -0.708024 79.8466 TIMING: 1540600 CPU: 4474.4, 0.00287328/step Wall: 4474.4, 0.00287328/step, 2.76107 hours remaining, 204.285156 MB of memory in use. ENERGY: 1540600 746.8753 2146.7758 1943.1112 125.3779 -205864.1909 17646.8680 0.0000 0.0000 34274.5679 -148980.6148 299.3283 -183255.1827 -148879.6342 300.1052 -50.5587 -20.2896 556984.4225 2.3052 2.3135 PRESSURE: 1540800 -111.576 73.0542 -33.3999 73.0557 56.9591 -16.6523 -33.3993 -16.6518 18.3722 GPRESSURE: 1540800 -60.6741 58.2695 -61.9941 64.9606 92.5229 155.493 -35.0377 -35.2403 40.4546 PRESSAVG: 1540800 -83.7698 -15.7669 39.0906 -15.7669 0.351049 4.72954 39.0907 4.7295 59.1241 GPRESSAVG: 1540800 -82.816 -14.7497 38.1749 -14.6991 -0.151774 5.97909 40.0197 3.33886 58.3263 TIMING: 1540800 CPU: 4474.98, 0.00289706/step Wall: 4474.98, 0.00289706/step, 2.78375 hours remaining, 204.324219 MB of memory in use. ENERGY: 1540800 746.8349 2078.5121 1973.8025 109.9918 -205773.4025 17587.4069 0.0000 0.0000 34300.7796 -148976.0747 299.5572 -183276.8543 -148886.2417 300.2976 -12.0816 24.1011 557166.6999 -8.0982 -8.2138 PRESSURE: 1541000 2.88638 -71.8383 176.658 -71.8378 -54.1567 244.867 176.658 244.868 75.6165 GPRESSURE: 1541000 28.042 -136.063 261.637 -51.1516 -23.5882 337.442 168.831 202.209 118.77 PRESSAVG: 1541000 28.8429 -1.27221 0.493635 -1.2722 -70.2856 16.187 0.493674 16.187 66.1521 GPRESSAVG: 1541000 27.5411 -3.02394 -0.351009 -0.441795 -69.2435 17.6481 -0.469419 16.5819 66.1372 TIMING: 1541000 CPU: 4475.55, 0.00289054/step Wall: 4475.55, 0.00289054/step, 2.77733 hours remaining, 204.324219 MB of memory in use. ENERGY: 1541000 767.1074 2117.9557 1927.5782 117.1518 -205605.0697 17678.0593 0.0000 0.0000 34298.5592 -148698.6581 299.5378 -182997.2173 -148596.6497 300.2741 8.1154 41.0745 557993.0707 8.2365 8.1449 PRESSURE: 1541200 -40.2621 67.4127 -233.506 67.4118 -162.185 43.3 -233.506 43.3002 131.327 GPRESSURE: 1541200 10.316 117.947 -232.702 48.788 -112.495 28.063 -225.723 17.3315 136.255 PRESSAVG: 1541200 -1.27787 -24.9406 -30.3175 -24.9406 -45.1079 38.1422 -30.3175 38.1423 49.9086 GPRESSAVG: 1541200 1.24055 -25.2694 -28.8604 -26.5552 -47.8904 37.0799 -29.5398 36.5075 50.3951 TIMING: 1541200 CPU: 4476.13, 0.00287209/step Wall: 4476.13, 0.00287209/step, 2.75944 hours remaining, 204.324219 MB of memory in use. ENERGY: 1541200 728.8906 2103.3033 1960.8711 100.0829 -205836.5767 17716.3005 0.0000 0.0000 34470.7261 -148756.4021 301.0414 -183227.1282 -148664.3962 300.3092 -23.7067 11.3586 556880.9091 1.1743 1.2484 PRESSURE: 1541400 -377.017 111.204 99.577 111.204 -278.523 189.776 99.5768 189.775 -59.449 GPRESSURE: 1541400 -328.366 97.3488 138.848 27.1205 -249.03 209.507 61.8978 176.216 -30.2875 PRESSAVG: 1541400 22.6373 9.91812 -11.2033 9.9181 -105.892 25.5648 -11.2033 25.5648 53.1824 GPRESSAVG: 1541400 22.2157 10.6185 -11.0813 9.86614 -104.802 26.0817 -12.854 25.3996 52.5993 TIMING: 1541400 CPU: 4476.71, 0.00290776/step Wall: 4476.71, 0.00290776/step, 2.79355 hours remaining, 204.324219 MB of memory in use. ENERGY: 1541400 779.2182 2047.7964 1961.3483 115.7180 -205441.3500 17273.8951 0.0000 0.0000 34346.3116 -148917.0625 299.9549 -183263.3741 -148820.5455 300.3443 -238.3294 -202.5612 557409.2592 -10.0242 -9.9958 PRESSURE: 1541600 -75.3297 105.195 -69.1886 105.195 -141.6 -27.9819 -69.1883 -27.9813 -60.754 GPRESSURE: 1541600 -33.4747 91.3196 -58.9832 129.378 -107.198 6.01277 -51.8769 -82.6148 -26.4308 PRESSAVG: 1541600 28.9522 14.3007 -18.0591 14.3007 18.0013 -17.7266 -18.0592 -17.7266 -37.2659 GPRESSAVG: 1541600 27.9958 16.5072 -19.0981 13.5865 17.7206 -18.4195 -17.7295 -16.4689 -35.9599 TIMING: 1541600 CPU: 4477.29, 0.00290517/step Wall: 4477.29, 0.00290517/step, 2.7909 hours remaining, 204.324219 MB of memory in use. ENERGY: 1541600 716.7932 2089.9451 1977.6776 110.8477 -205702.4668 17639.8169 0.0000 0.0000 34213.9532 -148953.4331 298.7990 -183167.3863 -148862.4628 300.1078 -92.5611 -55.7011 556690.3704 3.2292 3.2522 PRESSURE: 1541800 -235.205 -65.2882 117.836 -65.287 115.767 -121.064 117.836 -121.063 -67.108 GPRESSURE: 1541800 -181.833 -50.7252 70.3282 -46.5204 179.764 -167.647 185.295 -65.2657 -89.5249 PRESSAVG: 1541800 6.60722 -8.82447 52.6981 -8.82452 75.3653 -17.3997 52.6981 -17.3997 -57.4619 GPRESSAVG: 1541800 6.55845 -10.2937 53.7262 -8.05157 76.221 -19.35 53.4483 -15.2496 -57.7813 TIMING: 1541800 CPU: 4477.87, 0.00289126/step Wall: 4477.87, 0.00289126/step, 2.77738 hours remaining, 204.324219 MB of memory in use. ENERGY: 1541800 732.5160 2046.6011 1964.9656 116.9323 -206046.3081 17791.3209 0.0000 0.0000 34358.8918 -149035.0802 300.0647 -183393.9721 -148940.6177 300.0011 -62.1823 -30.5312 557298.4202 8.1702 8.3327 PRESSURE: 1542000 -171.684 69.9334 31.5226 69.9335 71.3427 -82.7991 31.521 -82.7993 -167.934 GPRESSURE: 1542000 -161.855 166.967 42.5606 66.2517 66.8251 -108.424 49.5553 -12.9753 -77.3848 PRESSAVG: 1542000 -39.8415 -44.5527 27.0506 -44.5526 80.1608 -69.0527 27.0505 -69.0526 -12.0934 GPRESSAVG: 1542000 -38.8632 -43.752 26.5479 -45.4941 80.6958 -66.5025 26.5995 -71.4487 -13.1557 TIMING: 1542000 CPU: 4478.45, 0.00289959/step Wall: 4478.45, 0.00289959/step, 2.78521 hours remaining, 204.324219 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: 1542000 765.6401 2063.1725 1936.0256 111.4501 -206085.4620 17757.1768 0.0000 0.0000 34326.3004 -149125.6964 299.7801 -183451.9968 -149028.8537 300.1147 -89.4253 -57.4716 557882.2329 9.4087 9.5589 PRESSURE: 1542200 84.4722 200.798 -41.2769 200.798 79.5596 -81.9199 -41.277 -81.9199 133.524 GPRESSURE: 1542200 73.8589 184.705 -53.3051 167.496 157.11 -84.6479 -36.9624 -38.0889 157.595 PRESSAVG: 1542200 30.1559 40.5919 -5.20041 40.5921 30.9977 12.6703 -5.2004 12.6704 -10.9777 GPRESSAVG: 1542200 28.8836 37.2464 -5.75842 41.5777 31.5151 10.6854 -6.45925 14.336 -10.2054 TIMING: 1542200 CPU: 4479.03, 0.002921/step Wall: 4479.03, 0.002921/step, 2.80562 hours remaining, 204.324219 MB of memory in use. ENERGY: 1542200 701.9119 2122.8242 1951.4288 97.9228 -206071.9070 17867.2239 0.0000 0.0000 34389.7632 -148940.8323 300.3344 -183330.5955 -148849.5875 300.2941 99.1853 129.5212 558007.0286 16.7253 16.7311 PRESSURE: 1542400 -280.485 16.5322 153.118 16.5307 9.13497 -103.4 153.118 -103.402 -151.106 GPRESSURE: 1542400 -230.344 56.0754 188.831 6.09646 31.1732 -45.3015 172.555 -68.3445 -129.794 PRESSAVG: 1542400 16.5746 -9.18863 -17.4437 -9.18868 93.2424 47.864 -17.4437 47.8639 -104.614 GPRESSAVG: 1542400 16.7662 -6.49856 -15.9915 -10.3212 92.764 49.0762 -16.2841 48.3576 -104.528 TIMING: 1542400 CPU: 4479.62, 0.00292376/step Wall: 4479.62, 0.00292376/step, 2.80811 hours remaining, 204.324219 MB of memory in use. ENERGY: 1542400 781.4364 2049.1599 1978.6229 101.1347 -206169.7099 17861.4733 0.0000 0.0000 34472.5391 -148925.3437 301.0573 -183397.8828 -148829.3661 300.5747 -140.8188 -109.6550 558248.3669 1.7342 1.6673 PRESSURE: 1542600 -313.043 -131.738 -59.1741 -131.739 -101.55 -7.58712 -59.1733 -7.5878 115.082 GPRESSURE: 1542600 -207.736 -102.306 -183.808 -158.906 -34.952 -35.6398 31.3763 65.599 52.7144 PRESSAVG: 1542600 -51.5449 22.2433 12.453 22.2433 31.2202 -18.5788 12.453 -18.5788 32.281 GPRESSAVG: 1542600 -51.1481 20.694 11.2061 22.8484 31.6047 -18.8026 13.3279 -19.7266 31.568 TIMING: 1542600 CPU: 4480.2, 0.00289229/step Wall: 4480.2, 0.00289229/step, 2.77773 hours remaining, 204.324219 MB of memory in use. ENERGY: 1542600 759.8385 2066.2396 1968.5991 106.4824 -205561.6534 17525.0943 0.0000 0.0000 34290.0623 -148845.3373 299.4636 -183135.3995 -148752.9613 300.8049 -99.8368 -63.3244 557898.6018 3.9854 4.0082 PRESSURE: 1542800 -96.8629 -138.591 -119.351 -138.591 -90.8942 154.275 -119.35 154.273 22.824 GPRESSURE: 1542800 -104.849 -166.511 -185.271 -82.4972 -46.5862 120.019 -87.8409 124.877 67.6154 PRESSAVG: 1542800 -72.3664 -15.9986 -44.7086 -15.9986 28.9067 -52.7773 -44.7087 -52.7773 27.4705 GPRESSAVG: 1542800 -72.2846 -14.2482 -45.333 -15.3842 28.496 -52.2783 -44.94 -53.3247 28.2008 TIMING: 1542800 CPU: 4480.77, 0.00288347/step Wall: 4480.77, 0.00288347/step, 2.76909 hours remaining, 204.324219 MB of memory in use. ENERGY: 1542800 748.8406 2084.6854 1966.2078 124.1416 -206005.8537 17663.8145 0.0000 0.0000 34376.1325 -149042.0312 300.2153 -183418.1637 -148948.9412 299.5681 -54.9777 -27.9400 557758.9354 -5.3297 -5.1959 PRESSURE: 1543000 188.546 -38.7905 -32.0373 -38.791 -19.6853 13.8221 -32.037 13.8225 50.2737 GPRESSURE: 1543000 241.053 -45.6556 -45.9693 -123.705 3.81431 110.864 -81.7398 -80.8916 76.1173 PRESSAVG: 1543000 9.54562 -57.7417 5.70527 -57.7417 61.9905 6.80238 5.70511 6.80232 -17.4124 GPRESSAVG: 1543000 9.96021 -59.2658 5.94127 -58.2175 61.2443 6.83895 4.60502 7.36282 -17.0389 TIMING: 1543000 CPU: 4481.35, 0.00290425/step Wall: 4481.35, 0.00290425/step, 2.78888 hours remaining, 204.324219 MB of memory in use. ENERGY: 1543000 756.9172 2099.5116 1953.3496 109.1617 -206109.4561 17846.1626 0.0000 0.0000 34172.0174 -149172.3361 298.4327 -183344.3535 -149083.0738 299.4603 73.0447 106.9950 557027.8907 18.0412 18.0552 PRESSURE: 1543200 -110.979 -10.9317 -85.0629 -10.9326 49.0537 12.9606 -85.0632 12.9604 -100.158 GPRESSURE: 1543200 -31.2119 -24.9571 -83.0994 -53.4764 77.2053 -2.7009 -116.691 -64.098 -111.834 PRESSAVG: 1543200 16.9508 -22.6775 -30.9885 -22.6775 21.4548 12.7026 -30.9884 12.7026 -47.3241 GPRESSAVG: 1543200 17.1181 -21.3188 -30.2899 -24.2391 21.795 12.1665 -30.7137 12.1732 -47.7012 TIMING: 1543200 CPU: 4481.94, 0.00290971/step Wall: 4481.94, 0.00290971/step, 2.79397 hours remaining, 204.324219 MB of memory in use. ENERGY: 1543200 742.0056 2118.0227 1963.9868 119.3562 -206475.7846 17804.3255 0.0000 0.0000 34449.7175 -149278.3702 300.8580 -183728.0877 -149183.1831 299.4455 -54.0278 -21.9470 557430.2931 -2.9728 -2.9294 PRESSURE: 1543400 23.6753 -123.481 45.678 -123.481 113.988 16.6643 45.6783 16.664 -85.204 GPRESSURE: 1543400 36.7323 -128.242 75.2696 -120.282 136.106 24.6166 -7.41107 46.4843 -37.1052 PRESSAVG: 1543400 0.560946 -25.0341 -41.8187 -25.0341 25.9196 8.45128 -41.8187 8.45137 -21.0101 GPRESSAVG: 1543400 -1.43783 -24.2235 -41.0448 -24.1384 26.487 10.6594 -41.9006 8.02181 -19.1827 TIMING: 1543400 CPU: 4482.52, 0.00292087/step Wall: 4482.52, 0.00292087/step, 2.80453 hours remaining, 204.324219 MB of memory in use. ENERGY: 1543400 718.0192 2080.8360 1952.2490 120.8386 -206025.5404 17773.6209 0.0000 0.0000 34020.6691 -149359.3075 297.1110 -183379.9767 -149259.1924 298.6314 17.4863 45.2445 556666.1301 1.8235 1.9555 PRESSURE: 1543600 109.463 -82.3973 15.2232 -82.3979 131.486 -8.70774 15.2238 -8.70817 49.0844 GPRESSURE: 1543600 144.183 -71.313 -6.69133 -73.856 200.291 -65.6237 79.6814 -30.6687 38.3307 PRESSAVG: 1543600 21.112 -58.099 20.7131 -58.099 34.7976 41.4211 20.7132 41.4212 -8.7618 GPRESSAVG: 1543600 23.5845 -57.8306 19.5044 -57.4643 33.4728 40.489 20.2906 43.8492 -10.2781 TIMING: 1543600 CPU: 4483.1, 0.00288794/step Wall: 4483.1, 0.00288794/step, 2.77274 hours remaining, 204.324219 MB of memory in use. ENERGY: 1543600 754.4804 2051.7852 1986.1575 119.6372 -206577.8369 18222.5295 0.0000 0.0000 34263.7826 -149179.4644 299.2341 -183443.2471 -149087.1565 298.5922 96.6779 127.6017 558392.6034 15.7159 15.5931 PRESSURE: 1543800 61.7895 115.969 -1.11994 115.969 106.489 44.3606 -1.1201 44.3635 -8.46675 GPRESSURE: 1543800 28.2382 87.2674 42.3701 97.7454 152.105 0.866998 -16.9227 75.8443 80.1965 PRESSAVG: 1543800 -27.5063 -37.5317 -16.6364 -37.5318 75.1817 38.9484 -16.6364 38.9484 -23.2986 GPRESSAVG: 1543800 -29.2581 -39.1221 -15.8514 -37.4159 75.7211 38.4642 -17.1793 38.6493 -22.403 TIMING: 1543800 CPU: 4483.68, 0.00289003/step Wall: 4483.68, 0.00289003/step, 2.77459 hours remaining, 204.324219 MB of memory in use. ENERGY: 1543800 769.9836 2005.5266 1965.7959 101.9398 -206450.7885 18098.1738 0.0000 0.0000 34341.8834 -149167.4854 299.9162 -183509.3688 -149070.8029 299.4837 53.2708 86.8465 558380.3301 8.1256 8.0200 PRESSURE: 1544000 -68.3999 -88.3137 -235.325 -88.313 21.4761 -248.487 -235.325 -248.487 22.5453 GPRESSURE: 1544000 -50.2625 -84.3091 -179.47 -41.1279 27.4558 -246.903 -237.216 -123.648 111.867 PRESSAVG: 1544000 -26.5276 -26.2725 -45.7117 -26.2725 -17.0343 -0.501787 -45.7118 -0.501811 5.28362 GPRESSAVG: 1544000 -26.523 -24.2177 -45.7783 -26.6081 -17.6034 -0.453906 -45.9121 -0.784279 5.74113 TIMING: 1544000 CPU: 4484.25, 0.00289355/step Wall: 4484.25, 0.00289355/step, 2.7778 hours remaining, 204.324219 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: 1544000 725.2715 2098.0489 1990.9811 116.7437 -205946.6799 17702.2079 0.0000 0.0000 34238.8659 -149074.5609 299.0165 -183313.4269 -148976.4715 298.8803 -8.1262 29.6867 557691.8099 -12.7594 -12.7951 PRESSURE: 1544200 35.7438 37.2469 66.1446 37.2464 -220.278 90.9757 66.1436 90.9755 176.592 GPRESSURE: 1544200 98.9835 -11.0524 -13.2852 30.1085 -172.948 55.8042 111.773 68.256 163.688 PRESSAVG: 1544200 -10.5558 -36.5046 -13.1346 -36.5045 -22.6504 30.8005 -13.1346 30.8005 18.5367 GPRESSAVG: 1544200 -10.2502 -36.1336 -11.6684 -37.7525 -21.441 30.4173 -13.7305 30.9158 16.8097 TIMING: 1544200 CPU: 4484.83, 0.00289426/step Wall: 4484.83, 0.00289426/step, 2.77833 hours remaining, 204.324219 MB of memory in use. ENERGY: 1544200 752.5830 2090.6983 1992.8874 105.7092 -206467.0118 18005.2118 0.0000 0.0000 34400.7633 -149119.1587 300.4304 -183519.9220 -149018.1320 299.8366 -2.6472 29.9078 557412.0726 -4.8898 -4.9605 LDB: ============= START OF LOAD BALANCING ============== 4488.3 LDB: ============== END OF LOAD BALANCING =============== 4488.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4488.3 LDB: ============= START OF LOAD BALANCING ============== 4488.59 LDB: Largest compute 4821 load 0.029608 is 25.2% of average load 0.117688 LDB: Average compute 0.001715 is 1.5% of average load 0.117688 LDB: TIME 4488.59 LOAD: AVG 0.117688 MAX 0.178654 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.547 MB LDB: TIME 4488.59 LOAD: AVG 0.117688 MAX 0.178654 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.75 MB LDB: TIME 4488.59 LOAD: AVG 0.117688 MAX 0.178654 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.75 MB LDB: ============== END OF LOAD BALANCING =============== 4488.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4488.6 PRESSURE: 1544400 -116.891 -164.146 124.127 -164.144 -76.0171 55.952 124.127 55.9516 118.507 GPRESSURE: 1544400 -74.4995 -144.789 135.86 -166.777 -23.1652 78.3223 140.604 77.7163 128.731 PRESSAVG: 1544400 -44.1245 -5.29315 56.5001 -5.29322 96.4128 8.27825 56.5001 8.27821 -51.8088 GPRESSAVG: 1544400 -44.1412 -7.01061 53.9263 -4.95788 96.6145 9.24763 60.7688 6.81759 -51.9105 TIMING: 1544400 CPU: 4485.42, 0.00294847/step Wall: 4485.42, 0.00294847/step, 2.8302 hours remaining, 204.664062 MB of memory in use. ENERGY: 1544400 732.7117 2108.1519 1987.3083 108.0495 -206195.7148 17703.6637 0.0000 0.0000 34436.0738 -149119.7558 300.7388 -183555.8297 -149028.7962 299.5376 -24.8002 10.3556 557463.9374 0.1598 0.1876 PRESSURE: 1544600 94.1074 -19.4443 39.5618 -19.4445 3.80013 214.168 39.5613 214.169 195.521 GPRESSURE: 1544600 192.551 60.0244 -51.8743 -80.6034 64.4933 253.849 34.0775 97.6753 146.545 PRESSAVG: 1544600 21.332 -82.8363 -2.45936 -82.8363 -42.2592 16.7919 -2.45938 16.7919 -2.27393 GPRESSAVG: 1544600 22.6834 -82.5876 -1.38994 -80.4928 -42.2754 18.9663 -4.71452 17.3245 -3.26876 TIMING: 1544600 CPU: 4486, 0.0029007/step Wall: 4486, 0.0029007/step, 2.78419 hours remaining, 204.921875 MB of memory in use. ENERGY: 1544600 800.1847 2051.5652 1964.1554 118.7924 -206261.5967 18073.5521 0.0000 0.0000 34332.3881 -148920.9588 299.8333 -183253.3468 -148828.4359 300.0751 97.8095 134.5298 557434.4626 -7.7337 -7.6203 PRESSURE: 1544800 -121.338 -23.1375 0.103216 -23.138 327.413 37.2195 0.103122 37.2186 -74.5957 GPRESSURE: 1544800 -84.4274 -67.71 28.1338 -16.0385 320.211 2.53247 -77.3581 24.4069 -14.623 PRESSAVG: 1544800 -11.583 -19.8121 -69.3512 -19.8121 -24.0571 -17.3162 -69.3512 -17.3163 -5.73086 GPRESSAVG: 1544800 -12.424 -20.6528 -70.0214 -19.0944 -23.7933 -20.2735 -70.1931 -17.5659 -5.50751 TIMING: 1544800 CPU: 4486.58, 0.00290849/step Wall: 4486.58, 0.00290849/step, 2.7915 hours remaining, 205.179688 MB of memory in use. ENERGY: 1544800 731.4036 2114.0474 1960.2968 117.6348 -206151.1380 17929.1921 0.0000 0.0000 34248.2651 -149050.2981 299.0986 -183298.5632 -148956.4214 300.0053 43.8263 73.7202 558332.8948 -13.7903 -13.9082 PRESSURE: 1545000 -154.117 79.2277 111.378 79.2285 -101.304 110 111.377 110 27.3297 GPRESSURE: 1545000 -144.084 18.1549 42.0561 52.236 -55.5194 165.946 150.848 15.9422 60.8163 PRESSAVG: 1545000 -42.05 -82.3349 3.77 -82.3348 46.8073 20.9279 3.77003 20.9279 -9.3523 GPRESSAVG: 1545000 -42.0324 -80.7366 5.1981 -84.4273 45.6455 22.4437 2.79809 19.7626 -8.34388 TIMING: 1545000 CPU: 4487.16, 0.00287533/step Wall: 4487.16, 0.00287533/step, 2.75952 hours remaining, 205.179688 MB of memory in use. ENERGY: 1545000 777.4413 2096.7491 1996.6218 95.9228 -206160.8646 17993.9323 0.0000 0.0000 34190.0526 -149010.1446 298.5902 -183200.1972 -148910.2792 299.5814 -76.0304 -46.2625 558794.6349 -1.5317 -1.5769 PRESSURE: 1545200 254.02 -28.4425 -201.439 -28.4434 78.5787 56.4628 -201.44 56.4608 -114.378 GPRESSURE: 1545200 240.968 -47.8996 -221.094 -36.5271 174.626 152.557 -139.23 78.9005 -109.854 PRESSAVG: 1545200 7.10961 0.380497 39.0497 0.380453 -29.2936 -14.2202 39.0497 -14.2202 -3.90189 GPRESSAVG: 1545200 6.83572 -1.15507 39.0763 0.620359 -27.3091 -17.0074 40.3131 -12.5023 -5.34609 TIMING: 1545200 CPU: 4487.73, 0.00287303/step Wall: 4487.73, 0.00287303/step, 2.75715 hours remaining, 205.226562 MB of memory in use. ENERGY: 1545200 760.4908 2060.3419 1955.0139 124.9160 -205954.9270 17839.3835 0.0000 0.0000 34199.1163 -149015.6645 298.6694 -183214.7809 -148915.8401 299.1836 72.7403 101.9136 557758.6268 -8.6953 -8.6065 PRESSURE: 1545400 -222.666 91.4684 -123.024 91.4693 -36.8894 141.578 -123.023 141.578 121.038 GPRESSURE: 1545400 -222.873 87.9407 -138.247 46.2308 22.6744 244.828 -154.298 147.428 151.953 PRESSAVG: 1545400 43.8302 52.0632 -35.894 52.0633 -89.3299 -1.91223 -35.8941 -1.91208 38.6382 GPRESSAVG: 1545400 43.7711 50.7127 -36.2757 54.1033 -90.5477 -0.618334 -35.6272 -3.5733 39.518 TIMING: 1545400 CPU: 4488.31, 0.00286649/step Wall: 4488.31, 0.00286649/step, 2.75072 hours remaining, 205.226562 MB of memory in use. ENERGY: 1545400 756.8679 2084.9340 1947.8037 98.8438 -205901.1034 17773.6460 0.0000 0.0000 34290.6344 -148948.3736 299.4686 -183239.0080 -148854.2737 299.8595 -46.1723 -16.0822 558512.1259 -2.2872 -2.4196 PRESSURE: 1545600 -200.933 -48.0258 -84.717 -48.0246 -221.565 100.348 -84.7189 100.348 -25.0879 GPRESSURE: 1545600 -148.199 -66.8312 -134.675 2.51552 -215.481 144.386 -1.49783 29.4256 15.888 PRESSAVG: 1545600 36.445 29.1973 18.5984 29.1973 -25.6959 35.0298 18.5983 35.0299 3.82691 GPRESSAVG: 1545600 35.9778 30.4533 18.479 29.8445 -25.4011 36.7748 18.7471 34.1517 4.35228 TIMING: 1545600 CPU: 4488.88, 0.00287347/step Wall: 4488.88, 0.00287347/step, 2.75726 hours remaining, 205.226562 MB of memory in use. ENERGY: 1545600 763.7445 2061.6967 1983.0744 102.9791 -205923.9544 17610.4283 0.0000 0.0000 34318.1294 -149083.9020 299.7088 -183402.0314 -148979.4565 300.1719 -149.1953 -115.9307 558286.4451 4.8587 4.9763 PRESSURE: 1545800 84.435 -157.227 20.6083 -157.227 -122.823 73.5394 20.6084 73.54 161.462 GPRESSURE: 1545800 142.37 -230.898 0.311632 -154.799 -142.965 42.9804 32.4999 70.659 216.696 PRESSAVG: 1545800 3.51953 -7.6752 34.2029 -7.67526 -10.5384 32.5349 34.203 32.5348 49.2176 GPRESSAVG: 1545800 4.26566 -9.31848 33.5041 -9.73441 -11.7036 30.7875 35.2791 33.2366 49.8262 TIMING: 1545800 CPU: 4489.46, 0.00289626/step Wall: 4489.46, 0.00289626/step, 2.77896 hours remaining, 205.226562 MB of memory in use. ENERGY: 1545800 743.7729 2125.8466 1984.2021 120.7826 -206165.4679 17951.0090 0.0000 0.0000 34237.0148 -149002.8398 299.0004 -183239.8546 -148907.2489 299.7085 41.0245 72.0337 557286.6337 14.0663 14.1294 PRESSURE: 1546000 148.546 139.489 47.1965 139.489 107.416 -50.3821 47.1988 -50.3832 170.206 GPRESSURE: 1546000 226.783 215.817 33.8345 76.6924 155.59 -24.3249 38.8237 -72.1543 153.182 PRESSAVG: 1546000 42.002 -6.51722 -21.4265 -6.51733 -13.1112 -2.71396 -21.4265 -2.71396 4.83863 GPRESSAVG: 1546000 40.5272 -5.05517 -19.2199 -4.77137 -11.8071 -2.70855 -22.0702 -2.57812 4.86374 TIMING: 1546000 CPU: 4490.04, 0.00286973/step Wall: 4490.04, 0.00286973/step, 2.75335 hours remaining, 205.226562 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: 1546000 730.3530 2105.3128 1972.4291 109.9185 -206394.3440 18117.9044 0.0000 0.0000 34393.2105 -148965.2157 300.3645 -183358.4262 -148875.1049 299.4999 142.0560 178.5183 558204.8521 11.2431 11.1946 PRESSURE: 1546200 -22.8264 56.441 -71.5808 56.4417 -103.271 112.9 -71.5816 112.903 -4.16908 GPRESSURE: 1546200 -17.6428 105.152 -45.3554 18.5561 -62.0747 11.4617 -53.2372 134.595 45.1134 PRESSAVG: 1546200 -7.96948 9.08188 1.43124 9.08185 -23.3592 -8.03799 1.43126 -8.03804 29.6556 GPRESSAVG: 1546200 -6.93165 9.503 -1.17278 6.70277 -22.7015 -9.60881 1.9367 -7.361 28.9537 TIMING: 1546200 CPU: 4490.61, 0.00288793/step Wall: 4490.61, 0.00288793/step, 2.77064 hours remaining, 205.226562 MB of memory in use. ENERGY: 1546200 811.1177 2056.8168 1964.5658 112.1071 -206288.7621 17878.2846 0.0000 0.0000 34554.0377 -148911.8323 301.7690 -183465.8700 -148815.2664 300.1520 -43.4220 -11.5347 557841.2323 -0.5577 -0.2265 PRESSURE: 1546400 -462.181 25.6158 79.6338 25.6151 -172.139 76.3711 79.633 76.3695 -440.993 GPRESSURE: 1546400 -408.234 17.3482 48.5857 80.1247 -167 62.513 142.339 210.7 -406.138 PRESSAVG: 1546400 -46.7742 -10.4742 47.5766 -10.4742 52.5944 -11.7686 47.5765 -11.7686 34.2177 GPRESSAVG: 1546400 -46.6581 -10.2864 48.3713 -9.16863 50.8934 -8.40694 48.503 -12.9056 36.3031 TIMING: 1546400 CPU: 4491.19, 0.0028964/step Wall: 4491.19, 0.0028964/step, 2.77861 hours remaining, 205.226562 MB of memory in use. ENERGY: 1546400 753.5670 2070.1765 1973.2268 116.9965 -205324.4452 17279.6761 0.0000 0.0000 34123.1338 -149007.6685 298.0058 -183130.8023 -148904.5265 299.5530 -358.4373 -327.1240 560398.0798 13.3460 13.5128 PRESSURE: 1546600 -326.622 -5.794 22.409 -5.79469 -62.779 98.8048 22.4089 98.8039 -331.473 GPRESSURE: 1546600 -325.094 26.7597 177.845 -25.0112 -1.03994 33.0775 87.8076 77.1501 -313.282 PRESSAVG: 1546600 -33.576 -34.4972 55.4117 -34.4971 21.0931 27.2677 55.4117 27.2677 29.693 GPRESSAVG: 1546600 -34.9962 -34.2127 54.6374 -35.0627 22.6737 25.1363 54.5758 27.9679 29.7669 TIMING: 1546600 CPU: 4491.77, 0.00287909/step Wall: 4491.77, 0.00287909/step, 2.76184 hours remaining, 205.226562 MB of memory in use. ENERGY: 1546600 751.6101 2110.1122 1957.4041 111.6052 -205969.8309 17566.0627 0.0000 0.0000 34449.5062 -149023.5305 300.8561 -183473.0366 -148932.0874 299.6217 -240.2914 -213.1385 559213.1260 5.7367 5.8148 PRESSURE: 1546800 -65.7123 -19.0235 -42.7063 -19.0222 12.6495 1.76336 -42.7062 1.76441 -21.8557 GPRESSURE: 1546800 -106.169 -80.4013 -46.9565 42.1068 88.8218 -1.51265 -31.9355 6.94358 30.2193 PRESSAVG: 1546800 -20.9246 -8.93312 -18.4357 -8.93318 -6.17387 -59.4624 -18.4357 -59.4625 17.9672 GPRESSAVG: 1546800 -19.8514 -9.31317 -18.6357 -8.90643 -6.37368 -61.0033 -18.8381 -59.0314 16.8861 TIMING: 1546800 CPU: 4492.35, 0.00288821/step Wall: 4492.35, 0.00288821/step, 2.77044 hours remaining, 205.226562 MB of memory in use. ENERGY: 1546800 723.4694 2044.7510 1970.5221 113.0447 -206123.1974 17903.3937 0.0000 0.0000 34359.3443 -149008.6722 300.0687 -183368.0165 -148916.6928 300.0662 -24.9729 4.2906 560518.5304 -3.0438 -3.1130 PRESSURE: 1547000 60.8565 -45.9935 -36.3904 -45.9948 182.328 324.461 -36.3897 324.46 116.458 GPRESSURE: 1547000 73.4388 -114.39 -74.6342 -5.6947 252.674 406.306 -24.478 201.22 122.396 PRESSAVG: 1547000 -21.4568 34.7057 34.5493 34.7057 38.4526 8.84272 34.5493 8.84267 -3.8616 GPRESSAVG: 1547000 -22.8872 34.9152 34.0486 36.7145 38.8884 9.64777 32.7398 10.9266 -2.96988 TIMING: 1547000 CPU: 4492.93, 0.00290099/step Wall: 4492.93, 0.00290099/step, 2.78253 hours remaining, 205.226562 MB of memory in use. ENERGY: 1547000 741.2260 2012.6682 1965.1339 107.0266 -206101.7870 17957.0663 0.0000 0.0000 34285.1489 -149033.5172 299.4207 -183318.6661 -148927.8251 299.3258 119.8809 149.5030 558342.7870 4.3781 4.3438 PRESSURE: 1547200 -43.175 27.2909 42.6731 27.2894 277.392 49.3878 42.6739 49.3881 16.8529 GPRESSURE: 1547200 -22.4871 -20.7908 48.68 63.8444 325.427 7.85905 83.3382 120.534 35.9896 PRESSAVG: 1547200 54.4646 60.733 51.1389 60.733 -19.4608 35.5268 51.1389 35.5269 -51.8866 GPRESSAVG: 1547200 55.7693 61.2753 51.6509 60.0091 -19.9207 36.241 54.3472 33.3791 -53.6425 TIMING: 1547200 CPU: 4493.5, 0.00289185/step Wall: 4493.5, 0.00289185/step, 2.77361 hours remaining, 205.226562 MB of memory in use. ENERGY: 1547200 719.6247 2074.3728 1938.0527 109.6378 -206302.7971 17984.2178 0.0000 0.0000 34274.9002 -149201.9910 299.3312 -183476.8912 -149105.6985 298.9641 83.6901 112.9765 558791.1847 -5.6276 -5.9313 PRESSURE: 1547400 -154.523 -69.3186 88.6727 -69.3183 124.758 207.272 88.6726 207.273 -230.584 GPRESSURE: 1547400 -89.4972 -49.9401 138.287 -100.28 174.402 203.58 22.5822 207.507 -249.893 PRESSAVG: 1547400 -58.7164 -1.58232 35.6947 -1.58222 23.9203 3.17144 35.6947 3.17144 29.9092 GPRESSAVG: 1547400 -58.3577 -2.15076 36.712 -3.90181 24.1767 0.518871 33.0364 2.71326 29.8834 TIMING: 1547400 CPU: 4494.09, 0.00290634/step Wall: 4494.09, 0.00290634/step, 2.78734 hours remaining, 205.226562 MB of memory in use. ENERGY: 1547400 776.8743 2071.1737 1928.7175 113.0231 -206172.1155 17932.9262 0.0000 0.0000 34286.9762 -149062.4245 299.4367 -183349.4006 -148963.4995 298.9781 -86.7831 -54.9959 558789.4965 -1.6290 -1.4325 PRESSURE: 1547600 160.033 75.9138 -69.4552 75.9138 29.1913 4.07694 -69.4534 4.07636 -33.3752 GPRESSURE: 1547600 202.721 143.947 -134.438 59.8456 10.431 68.692 -65.1325 -31.6535 35.2227 PRESSAVG: 1547600 32.2378 1.07846 17.5749 1.07853 18.3362 -0.177987 17.5749 -0.17796 -74.5415 GPRESSAVG: 1547600 32.8158 0.843429 14.4314 3.00846 16.8912 1.86687 20.25 1.76521 -72.9753 TIMING: 1547600 CPU: 4494.66, 0.00288348/step Wall: 4494.66, 0.00288348/step, 2.76526 hours remaining, 205.226562 MB of memory in use. ENERGY: 1547600 750.8446 2118.5711 1939.5248 116.0183 -206028.9153 17746.9725 0.0000 0.0000 34333.6094 -149023.3746 299.8440 -183356.9840 -148936.2044 299.6254 51.9497 82.7915 557811.0567 -7.9892 -7.7561 PRESSURE: 1547800 106.615 32.4666 116.45 32.4664 -178.012 78.2097 116.45 78.2119 -36.8051 GPRESSURE: 1547800 69.2833 39.1692 117.584 -50.2186 -143.687 76.9885 98.1363 51.5783 68.0848 PRESSAVG: 1547800 15.2327 -46.2937 -2.87057 -46.2938 -20.2016 34.6069 -2.8707 34.6068 -20.3711 GPRESSAVG: 1547800 14.8085 -45.0661 -0.540958 -48.5703 -19.3492 33.0514 -4.25697 35.4419 -20.7272 TIMING: 1547800 CPU: 4495.24, 0.00290008/step Wall: 4495.24, 0.00290008/step, 2.78101 hours remaining, 205.226562 MB of memory in use. ENERGY: 1547800 755.6885 2126.3000 1968.5752 109.3875 -205894.3950 17888.1195 0.0000 0.0000 34178.1809 -148868.1434 298.4866 -183046.3243 -148775.2637 299.6544 -36.0673 -2.1063 560028.7977 -8.4466 -8.4226 PRESSURE: 1548000 -121.54 146.116 -238.578 146.115 181.611 111.656 -238.579 111.657 188.614 GPRESSURE: 1548000 -97.878 185.246 -281.261 80.5216 242.534 172.789 -225.219 55.8897 192.708 PRESSAVG: 1548000 -59.3771 1.23776 -0.0640502 1.2378 43.3262 17.2814 -0.0641759 17.2813 14.9548 GPRESSAVG: 1548000 -59.7375 -0.744044 1.78275 2.3098 43.6531 19.101 -2.66171 15.8503 14.5341 TIMING: 1548000 CPU: 4495.82, 0.00289058/step Wall: 4495.82, 0.00289058/step, 2.77175 hours remaining, 205.226562 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: 1548000 722.1375 2111.5991 1945.9102 112.8657 -205927.8904 17935.4704 0.0000 0.0000 34351.6436 -148748.2639 300.0014 -183099.9075 -148649.0126 300.2579 82.8951 112.4547 559005.8660 -0.3654 -0.5168 PRESSURE: 1548200 -255.535 -199.604 128.717 -199.605 -42.6328 40.3219 128.718 40.3218 -66.3605 GPRESSURE: 1548200 -194.5 -195.264 149.407 -77.4245 -32.8495 -42.6537 88.6574 149.408 -37.9252 PRESSAVG: 1548200 -58.2185 -23.5435 20.8453 -23.5435 -45.3131 61.0359 20.8453 61.0358 67.5819 GPRESSAVG: 1548200 -58.0211 -22.7917 20.752 -22.7914 -45.9224 60.4957 22.1722 58.6238 68.3648 TIMING: 1548200 CPU: 4496.4, 0.00290146/step Wall: 4496.4, 0.00290146/step, 2.78202 hours remaining, 205.226562 MB of memory in use. ENERGY: 1548200 755.8131 2030.4147 1942.5733 108.0224 -205703.5908 17703.0113 0.0000 0.0000 34461.4202 -148702.3357 300.9602 -183163.7559 -148608.1882 300.8367 -121.5096 -88.4248 559419.9792 -11.9832 -11.8596 LDB: ============= START OF LOAD BALANCING ============== 4499.87 LDB: ============== END OF LOAD BALANCING =============== 4499.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4499.87 LDB: ============= START OF LOAD BALANCING ============== 4500.16 LDB: Largest compute 4821 load 0.029787 is 25.3% of average load 0.117683 LDB: Average compute 0.001716 is 1.5% of average load 0.117683 LDB: TIME 4500.16 LOAD: AVG 0.117683 MAX 0.175064 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.078 MB LDB: TIME 4500.16 LOAD: AVG 0.117683 MAX 0.175064 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.094 MB LDB: TIME 4500.16 LOAD: AVG 0.117683 MAX 0.175064 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4500.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4500.17 PRESSURE: 1548400 -126.876 -88.4773 -69.1108 -88.4772 -313.413 -55.7177 -69.1107 -55.7174 2.45659 GPRESSURE: 1548400 -74.5328 -157.191 -2.50864 -17.51 -289.865 -66.055 -24.2532 -85.183 23.1132 PRESSAVG: 1548400 24.0024 -27.7413 -43.867 -27.7414 -15.6885 -28.0666 -43.8671 -28.0665 16.017 GPRESSAVG: 1548400 23.3425 -28.3696 -45.6858 -27.2821 -15.5545 -27.3362 -42.1582 -27.4302 16.2372 TIMING: 1548400 CPU: 4496.99, 0.00294965/step Wall: 4496.99, 0.00294964/step, 2.82805 hours remaining, 204.851562 MB of memory in use. ENERGY: 1548400 769.4638 2097.9221 1934.1576 116.1403 -205711.7054 17610.6336 0.0000 0.0000 34435.0657 -148748.3224 300.7300 -183183.3881 -148657.0478 301.1087 -145.9443 -113.7615 557500.5550 8.1103 8.0084 PRESSURE: 1548600 -21.3031 42.0943 -123.771 42.0938 -194.2 58.7792 -123.772 58.7792 -205.372 GPRESSURE: 1548600 -23.1374 121.847 -205.389 -43.0969 -169.664 -3.9807 -108.518 90.7515 -144.28 PRESSAVG: 1548600 9.96074 -0.239163 -30.3305 -0.239135 16.9082 -32.2809 -30.3304 -32.2809 -16.1284 GPRESSAVG: 1548600 10.0071 -1.4275 -28.5544 0.351224 16.3806 -32.3452 -30.5413 -30.9699 -15.5626 TIMING: 1548600 CPU: 4497.57, 0.00287621/step Wall: 4497.57, 0.00287621/step, 2.75748 hours remaining, 205.046875 MB of memory in use. ENERGY: 1548600 763.1740 2118.9757 1955.6202 132.4540 -205831.4202 17599.7595 0.0000 0.0000 34463.3177 -148798.1191 300.9767 -183261.4368 -148705.6971 300.9700 -140.2917 -112.3604 557217.2269 3.5802 3.6084 PRESSURE: 1548800 -3.44126 -49.1305 127.02 -49.1315 -13.6127 16.109 127.021 16.1093 145.741 GPRESSURE: 1548800 51.0859 -103.676 45.914 -31.2555 -0.122923 20.6456 94.9139 45.2887 184.521 PRESSAVG: 1548800 11.7151 -9.72913 14.6111 -9.72923 -76.2714 26.8274 14.6111 26.8275 3.99489 GPRESSAVG: 1548800 11.2733 -6.80846 13.3479 -11.9747 -75.7613 26.2329 13.5043 27.0001 3.66487 TIMING: 1548800 CPU: 4498.14, 0.00289342/step Wall: 4498.14, 0.00289342/step, 2.77382 hours remaining, 205.046875 MB of memory in use. ENERGY: 1548800 735.8487 2056.6136 1956.8062 119.7008 -206134.9725 17833.1089 0.0000 0.0000 34558.0015 -148874.8927 301.8036 -183432.8943 -148777.1661 300.6176 42.8956 78.4946 556479.8506 -20.1871 -20.2744 PRESSURE: 1549000 -49.947 108.029 -4.37854 108.028 -32.5373 21.8847 -4.37791 21.8851 -149.839 GPRESSURE: 1549000 -0.998015 138.349 37.4648 94.7974 -28.0826 58.434 -40.4282 97.3505 -92.7936 PRESSAVG: 1549000 19.5093 46.7294 24.4258 46.7294 44.4346 34.2877 24.4258 34.2878 -33.7135 GPRESSAVG: 1549000 21.1507 47.527 23.2632 48.3805 43.5498 34.1055 26.1634 33.9622 -34.2713 TIMING: 1549000 CPU: 4498.72, 0.00289481/step Wall: 4498.72, 0.00289481/step, 2.77499 hours remaining, 205.289062 MB of memory in use. ENERGY: 1549000 750.0292 2017.1931 1959.3855 103.2768 -205859.6886 17629.9785 0.0000 0.0000 34480.0178 -148919.8079 301.1226 -183399.8256 -148817.8401 300.9448 -77.4412 -40.6247 556988.8270 10.0768 10.1431 PRESSURE: 1549200 28.8418 43.4749 -59.7903 43.4742 270.337 -7.52423 -59.7916 -7.52474 -34.0701 GPRESSURE: 1549200 53.0767 9.08398 -53.1767 143.516 296.315 14.136 -49.789 -17.576 14.6451 PRESSAVG: 1549200 -65.1211 47.9489 -8.2463 47.949 54.7834 44.9073 -8.24627 44.9072 -46.9418 GPRESSAVG: 1549200 -65.902 45.0027 -8.28013 47.8123 55.1879 45.5353 -10.4217 45.1746 -46.3517 TIMING: 1549200 CPU: 4499.3, 0.00289251/step Wall: 4499.3, 0.00289251/step, 2.77263 hours remaining, 205.289062 MB of memory in use. ENERGY: 1549200 743.1744 2084.5681 1963.6554 112.9751 -205863.4819 17934.7243 0.0000 0.0000 34261.5169 -148762.8677 299.2143 -183024.3846 -148665.5850 300.4112 88.3697 121.3457 558471.9408 -19.0932 -19.0219 PRESSURE: 1549400 15.2908 -45.967 210.841 -45.9671 202.372 -233.309 210.84 -233.31 18.0467 GPRESSURE: 1549400 46.9685 -73.4218 226.506 33.331 247.272 -181.135 239.973 -162.918 35.6829 PRESSAVG: 1549400 -38.8337 27.7742 23.8177 27.7742 56.3378 9.80162 23.8177 9.80143 -32.2608 GPRESSAVG: 1549400 -38.6848 30.0594 23.5975 27.746 56.7206 7.41983 25.7005 12.0095 -33.0436 TIMING: 1549400 CPU: 4499.88, 0.0028723/step Wall: 4499.88, 0.0028723/step, 2.7531 hours remaining, 205.289062 MB of memory in use. ENERGY: 1549400 773.1948 2075.0808 1926.9406 107.5186 -206373.3706 18093.5919 0.0000 0.0000 34549.8142 -148847.2297 301.7321 -183397.0439 -148742.6523 300.2699 78.5697 109.9745 557238.4042 -4.9189 -5.0026 PRESSURE: 1549600 192.568 -34.4067 -115.528 -34.4066 -197.225 15.4775 -115.528 15.4766 -404.054 GPRESSURE: 1549600 197.216 -39.3534 -92.4902 21.7945 -172.949 53.6798 -50.062 -27.0457 -343.317 PRESSAVG: 1549600 47.9716 -14.0263 -23.2038 -14.0263 8.51525 -26.1222 -23.2039 -26.1222 -62.0065 GPRESSAVG: 1549600 47.3558 -15.5601 -23.6541 -13.7268 8.19674 -23.6263 -22.7706 -28.5933 -60.8598 TIMING: 1549600 CPU: 4500.45, 0.00287502/step Wall: 4500.45, 0.00287502/step, 2.75554 hours remaining, 205.289062 MB of memory in use. ENERGY: 1549600 765.9285 2153.9211 1933.9058 107.9551 -205715.4084 17734.1932 0.0000 0.0000 34261.4556 -148758.0491 299.2138 -183019.5047 -148661.6792 300.0614 -136.2372 -106.3498 558972.2323 -1.8399 -1.7691 PRESSURE: 1549800 -176.678 -84.0179 61.2512 -84.0175 -234.224 77.0193 61.2521 77.02 129.691 GPRESSURE: 1549800 -146.965 -50.3541 77.74 -116.316 -177.087 97.6147 76.4928 -23.6625 151.097 PRESSAVG: 1549800 46.6275 -31.7774 -21.6646 -31.7774 -73.4153 -9.37713 -21.6646 -9.37699 10.0366 GPRESSAVG: 1549800 47.2174 -31.363 -22.7301 -30.9959 -72.828 -10.7056 -22.0663 -11.3472 9.29861 TIMING: 1549800 CPU: 4501.03, 0.00288772/step Wall: 4501.03, 0.00288772/step, 2.76756 hours remaining, 205.289062 MB of memory in use. ENERGY: 1549800 756.7174 2050.1877 1966.3421 116.4123 -205533.1318 17585.4195 0.0000 0.0000 34153.8778 -148904.1749 298.2743 -183058.0527 -148801.4339 299.2959 -93.7370 -57.6514 558175.1808 -5.5837 -5.4373 PRESSURE: 1550000 380.245 -196.065 44.1842 -196.065 5.97559 35.0092 44.1842 35.0089 122.757 GPRESSURE: 1550000 449.442 -167.841 56.6714 -230.922 18.5819 -18.9746 -82.1708 23.7326 132.142 PRESSAVG: 1550000 62.5189 -19.2322 -1.04811 -19.2322 -21.1376 45.6062 -1.04807 45.6062 -60.7787 GPRESSAVG: 1550000 63.3752 -18.6916 0.376145 -18.0122 -21.3401 46.7891 -2.31729 48.6268 -61.1739 TIMING: 1550000 CPU: 4501.61, 0.00289896/step Wall: 4501.61, 0.00289896/step, 2.77817 hours remaining, 205.289062 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: 1550000 723.8487 2070.8950 1966.0667 116.3586 -206172.2841 18073.3204 0.0000 0.0000 34374.7156 -148847.0791 300.2029 -183221.7947 -148750.5469 299.3325 169.6590 200.0553 557987.1129 -6.4658 -6.3796 PRESSURE: 1550200 -153.747 -95.8608 192.17 -95.8608 -289.828 -54.6678 192.171 -54.6678 -292.746 GPRESSURE: 1550200 -156.39 24.8054 234.058 -103.017 -248.084 -23.2851 230.386 6.10917 -224.154 PRESSAVG: 1550200 13.1789 -57.5145 6.31496 -57.5146 -17.5983 -25.7656 6.31495 -25.7655 36.6655 GPRESSAVG: 1550200 12.1992 -53.8586 6.9818 -61.7745 -17.9785 -27.2554 4.23264 -25.8464 37.7135 TIMING: 1550200 CPU: 4502.19, 0.00289234/step Wall: 4502.19, 0.00289234/step, 2.77166 hours remaining, 205.289062 MB of memory in use. ENERGY: 1550200 741.2549 2108.3862 1962.0087 106.8325 -205540.8335 17436.0926 0.0000 0.0000 34463.8902 -148722.3683 300.9817 -183186.2585 -148630.5752 300.4280 -245.4404 -209.5428 558198.6743 10.7487 10.6447 PRESSURE: 1550400 116.01 53.5311 -172.317 53.53 186.532 -195.937 -172.317 -195.939 -159.125 GPRESSURE: 1550400 180.747 93.5564 -150.9 56.0684 158.307 -142.785 -103.417 -224.877 -101.189 PRESSAVG: 1550400 40.3295 0.350117 50.7163 0.350063 -43.9573 -29.085 50.7163 -29.0852 10.4093 GPRESSAVG: 1550400 40.7671 -2.0022 50.5805 2.30899 -44.8423 -29.9238 54.5748 -29.3606 10.9578 TIMING: 1550400 CPU: 4502.76, 0.00287944/step Wall: 4502.76, 0.00287944/step, 2.75915 hours remaining, 205.289062 MB of memory in use. ENERGY: 1550400 758.9956 2097.6443 1981.0280 122.3405 -205707.2747 17678.6949 0.0000 0.0000 34372.1296 -148696.4418 300.1804 -183068.5715 -148593.4605 301.1252 47.8054 79.2881 557803.6654 2.2605 2.2942 PRESSURE: 1550600 -175.312 -96.2784 214.846 -96.2787 -179.625 7.24197 214.846 7.24213 -251.125 GPRESSURE: 1550600 -151.234 -142.32 213.823 -109.818 -163.391 15.0722 217.944 60.5627 -197.62 PRESSAVG: 1550600 62.2401 -25.2389 -21.4207 -25.2389 -36.9457 7.40715 -21.4208 7.40716 -20.6713 GPRESSAVG: 1550600 60.8702 -26.5569 -22.9638 -25.2909 -35.4623 8.36399 -21.7812 6.38886 -21.0864 TIMING: 1550600 CPU: 4503.34, 0.00286775/step Wall: 4503.34, 0.00286775/step, 2.74778 hours remaining, 205.289062 MB of memory in use. ENERGY: 1550600 730.0428 2115.4099 1965.4701 109.2719 -205753.7179 17595.5735 0.0000 0.0000 34463.6449 -148774.3047 300.9796 -183237.9496 -148681.1300 300.9808 -202.0209 -170.7484 558029.9473 1.5410 1.4405 PRESSURE: 1550800 217.955 -14.677 -30.8179 -14.6783 -44.1629 -57.849 -30.8189 -57.8498 191.577 GPRESSURE: 1550800 155.015 -23.5141 -113.787 -63.3035 29.4018 -38.8958 -11.9501 -41.6967 274.959 PRESSAVG: 1550800 -23.4422 -60.1698 -11.932 -60.1697 60.6663 11.0982 -11.9321 11.0982 -12.3828 GPRESSAVG: 1550800 -23.0058 -59.8348 -11.7535 -59.7229 59.7223 13.6238 -13.6765 11.7962 -11.8825 TIMING: 1550800 CPU: 4503.92, 0.00291461/step Wall: 4503.92, 0.00291461/step, 2.79252 hours remaining, 205.289062 MB of memory in use. ENERGY: 1550800 718.8125 2134.8418 1966.3376 125.5712 -206091.2045 17962.4355 0.0000 0.0000 34278.0648 -148905.1410 299.3589 -183183.2058 -148806.4261 300.6776 121.7897 153.1253 557853.6195 8.2804 8.2780 PRESSURE: 1551000 93.1941 -11.2596 -93.5872 -11.2603 184.721 39.619 -93.5876 39.619 73.7114 GPRESSURE: 1551000 143.05 29.4555 -40.7945 -52.9593 205.073 85.0041 -158.318 -71.0434 89.5631 PRESSAVG: 1551000 8.65913 7.07565 15.5111 7.0756 55.8698 15.5189 15.5112 15.5188 -10.8127 GPRESSAVG: 1551000 9.79371 6.63175 16.7763 6.26422 55.1283 14.1194 15.353 15.2059 -11.4152 TIMING: 1551000 CPU: 4504.5, 0.00292097/step Wall: 4504.5, 0.00292097/step, 2.79845 hours remaining, 205.289062 MB of memory in use. ENERGY: 1551000 728.4308 2103.0352 1970.8510 123.6879 -206165.5455 18043.0298 0.0000 0.0000 34219.4146 -148977.0962 298.8467 -183196.5108 -148882.6815 299.6873 117.2090 145.8954 559642.7360 17.9054 17.8356 PRESSURE: 1551200 -215.288 74.0998 38.2261 74.0989 -19.7291 -46.6609 38.2259 -46.6611 -113.79 GPRESSURE: 1551200 -192.152 141.669 -22.329 135.986 -0.492027 -38.7 103.294 -56.0695 -71.8704 PRESSAVG: 1551200 59.1961 10.2686 4.88378 10.2686 -60.5965 -12.2999 4.88377 -12.2999 6.29955 GPRESSAVG: 1551200 58.2468 13.4504 3.22134 8.25253 -59.9797 -12.4847 5.49365 -13.7987 6.28078 TIMING: 1551200 CPU: 4505.08, 0.00289985/step Wall: 4505.08, 0.00289985/step, 2.77805 hours remaining, 205.289062 MB of memory in use. ENERGY: 1551200 741.3072 2064.3138 1957.4495 115.3247 -206021.1418 17772.4146 0.0000 0.0000 34485.6375 -148884.6945 301.1716 -183370.3320 -148782.9971 299.8260 -116.2690 -88.1715 559346.3402 1.6330 1.5159 PRESSURE: 1551400 84.5493 -45.5999 61.5374 -45.6002 -98.5716 -173.99 61.5378 -173.991 -135.627 GPRESSURE: 1551400 139.517 -102.513 31.8756 -36.3098 -78.3583 -178.612 90.4125 -165.786 -115.292 PRESSAVG: 1551400 12.5201 -13.8236 -52.421 -13.8236 -10.2317 47.4167 -52.4209 47.4164 -69.9355 GPRESSAVG: 1551400 13.8189 -15.8874 -53.3025 -13.8308 -10.3991 47.1732 -51.8613 49.3715 -70.7567 TIMING: 1551400 CPU: 4505.66, 0.00289813/step Wall: 4505.66, 0.00289813/step, 2.77625 hours remaining, 205.289062 MB of memory in use. ENERGY: 1551400 721.9605 2126.3680 1973.1689 105.1727 -205830.9792 17759.1499 0.0000 0.0000 34201.3680 -148943.7912 298.6891 -183145.1592 -148846.6003 299.3824 -49.8832 -18.0443 559246.7543 -22.5490 -22.4456 PRESSURE: 1551600 87.8964 -159.134 -180.953 -159.135 180.306 -82.3913 -180.953 -82.3905 141.742 GPRESSURE: 1551600 190.824 -158.107 -130.792 -109.207 143.755 -145.487 -165.684 -25.0159 171.262 PRESSAVG: 1551600 43.1465 -12.0664 6.6307 -12.0664 -23.1432 10.8144 6.63066 10.8142 -7.29749 GPRESSAVG: 1551600 42.5721 -11.6372 8.43913 -8.69309 -21.8327 9.45491 2.92919 10.756 -7.83964 TIMING: 1551600 CPU: 4506.24, 0.00288636/step Wall: 4506.24, 0.00288636/step, 2.76481 hours remaining, 205.289062 MB of memory in use. ENERGY: 1551600 743.6501 2066.8503 1935.3333 109.0498 -206104.8941 17974.1044 0.0000 0.0000 34310.1057 -148965.8005 299.6387 -183275.9062 -148868.9708 299.7204 136.6481 168.6138 556437.0350 4.2353 4.2999 PRESSURE: 1551800 413.678 -108.48 64.1782 -108.48 -16.7914 -13.5545 64.1788 -13.5531 -53.1149 GPRESSURE: 1551800 436.317 -48.5635 93.1957 -161.908 53.5894 -47.0927 43.4827 35.9637 -43.3554 PRESSAVG: 1551800 40.3853 -10.408 1.68381 -10.408 -84.1801 -2.07062 1.68381 -2.07067 10.6278 GPRESSAVG: 1551800 39.0279 -9.83189 0.991123 -14.0665 -83.6808 -0.157993 5.27994 -1.54842 11.7719 TIMING: 1551800 CPU: 4506.82, 0.00289979/step Wall: 4506.82, 0.00289978/step, 2.77751 hours remaining, 205.289062 MB of memory in use. ENERGY: 1551800 732.3814 2100.0580 1942.3880 121.8543 -206076.7496 17982.0117 0.0000 0.0000 34212.8042 -148985.2519 298.7889 -183198.0561 -148893.5249 299.5319 114.5905 148.8503 557921.9484 -11.0557 -10.9603 PRESSURE: 1552000 73.1371 -57.9984 34.2257 -57.9991 22.3673 126.557 34.2251 126.557 148.906 GPRESSURE: 1552000 143.316 -26.9219 -35.2859 -66.9597 -6.49646 37.5069 186.52 133.541 203.225 PRESSAVG: 1552000 21.9679 2.27831 -14.9125 2.27834 -63.9732 -30.532 -14.9125 -30.532 17.0971 GPRESSAVG: 1552000 22.1633 1.27438 -15.7935 5.00873 -64.3164 -33.2334 -13.669 -31.1072 17.5539 TIMING: 1552000 CPU: 4507.4, 0.00289203/step Wall: 4507.4, 0.00289203/step, 2.76992 hours remaining, 205.289062 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: 1552000 755.3058 2084.2860 1983.5192 110.3527 -206331.8590 17976.6548 0.0000 0.0000 34469.0882 -148952.6523 301.0271 -183421.7406 -148863.1412 299.6558 81.4702 113.3483 558030.4442 -8.3028 -8.1998 PRESSURE: 1552200 -49.742 -2.96978 -59.8442 -2.97073 -92.4629 -2.16768 -59.8441 -2.16732 -29.215 GPRESSURE: 1552200 -27.1422 -33.2181 -71.8084 -32.0141 -5.32266 25.7482 -69.797 17.7637 -45.9395 PRESSAVG: 1552200 67.5001 18.7493 -17.8077 18.7493 -39.5574 -1.59918 -17.8078 -1.59915 -33.8056 GPRESSAVG: 1552200 67.5016 18.2535 -16.6834 17.8456 -40.0369 1.79641 -17.9344 -2.99492 -33.3223 TIMING: 1552200 CPU: 4507.98, 0.00287942/step Wall: 4507.98, 0.00287942/step, 2.75768 hours remaining, 205.289062 MB of memory in use. ENERGY: 1552200 717.3451 2053.6660 1992.8918 130.1322 -205846.1783 17718.2604 0.0000 0.0000 34473.8418 -148760.0410 301.0686 -183233.8827 -148664.4987 299.4805 -57.1400 -26.1348 559342.8405 -1.9543 -1.9525 LDB: ============= START OF LOAD BALANCING ============== 4511.44 LDB: ============== END OF LOAD BALANCING =============== 4511.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4511.45 LDB: ============= START OF LOAD BALANCING ============== 4511.74 LDB: Largest compute 4821 load 0.030024 is 25.5% of average load 0.117728 LDB: Average compute 0.001707 is 1.4% of average load 0.117728 LDB: TIME 4511.74 LOAD: AVG 0.117728 MAX 0.178385 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.82 MB LDB: TIME 4511.74 LOAD: AVG 0.117728 MAX 0.178385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.023 MB LDB: TIME 4511.74 LOAD: AVG 0.117728 MAX 0.178385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.023 MB LDB: ============== END OF LOAD BALANCING =============== 4511.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4511.75 PRESSURE: 1552400 -163.957 102.448 6.08222 102.446 -374.721 -284.554 6.08313 -284.555 18.0839 GPRESSURE: 1552400 -129.189 131.806 -81.7121 66.6135 -300.206 -277.584 78.3251 -216.345 16.6074 PRESSAVG: 1552400 10.7227 9.05616 -29.3974 9.05619 -90.4438 -11.4799 -29.3975 -11.48 43.2504 GPRESSAVG: 1552400 11.15 9.75103 -28.7108 8.07076 -90.3575 -11.8362 -31.9057 -11.1752 42.9429 TIMING: 1552400 CPU: 4508.57, 0.0029829/step Wall: 4508.57, 0.0029829/step, 2.85662 hours remaining, 204.593750 MB of memory in use. ENERGY: 1552400 736.8463 2114.1334 1973.2766 114.8758 -205741.9812 17651.8537 0.0000 0.0000 34135.9065 -149015.0888 298.1174 -183150.9953 -148925.4676 299.9295 -173.5315 -137.5960 558839.2783 -12.1569 -12.0882 PRESSURE: 1552600 -96.3145 -140.288 -73.6895 -140.287 -188.384 -13.414 -73.6873 -13.4132 -410.137 GPRESSURE: 1552600 -89.0595 -129.027 -23.7623 -115.893 -155.894 -83.8789 -86.231 -11.667 -367.277 PRESSAVG: 1552600 59.4123 -41.4795 -35.6476 -41.4795 -36.0426 -54.5222 -35.6476 -54.5222 -24.8535 GPRESSAVG: 1552600 58.6338 -41.3947 -36.0526 -41.0169 -34.8996 -54.8254 -35.4113 -53.5065 -25.3569 TIMING: 1552600 CPU: 4509.15, 0.00290276/step Wall: 4509.15, 0.00290276/step, 2.77972 hours remaining, 204.796875 MB of memory in use. ENERGY: 1552600 780.3957 2072.3257 1957.4799 114.0356 -205862.3276 17570.1150 0.0000 0.0000 34347.2493 -149020.7265 299.9631 -183367.9758 -148927.5438 299.5957 -231.6121 -204.0769 558306.9473 -0.4946 -0.5409 PRESSURE: 1552800 -591.269 -76.4681 38.0859 -76.4679 -389.271 5.44629 38.0854 5.44627 -273.373 GPRESSURE: 1552800 -530.521 -47.7515 -35.9896 -117.628 -372.661 81.6182 24.2731 -52.441 -260.154 PRESSAVG: 1552800 28.8431 -57.7454 -31.1282 -57.7455 -18.0057 -0.666344 -31.1282 -0.666466 24.0257 GPRESSAVG: 1552800 29.7656 -58.2798 -30.3688 -56.9464 -19.9185 -2.80659 -30.4623 -1.89884 24.8707 TIMING: 1552800 CPU: 4509.74, 0.00291766/step Wall: 4509.74, 0.00291766/step, 2.79383 hours remaining, 204.796875 MB of memory in use. ENERGY: 1552800 719.9799 2114.7125 1975.4972 113.5458 -205158.0380 17047.9711 0.0000 0.0000 34172.2963 -149014.0352 298.4352 -183186.3315 -148924.0835 300.4465 -417.9708 -387.7786 559289.5423 11.6210 11.5726 PRESSURE: 1553000 -19.937 31.3949 83.3097 31.395 -50.7943 124.633 83.3098 124.632 84.4661 GPRESSURE: 1553000 38.1882 28.5228 57.0739 81.9757 -64.7657 56.031 105.884 120.367 134.062 PRESSAVG: 1553000 -86.3862 22.8788 1.74887 22.8788 71.7713 21.6956 1.74892 21.6957 60.2234 GPRESSAVG: 1553000 -85.8175 23.5139 0.730165 21.4064 72.2297 23.5881 4.63422 21.5182 59.3649 TIMING: 1553000 CPU: 4510.32, 0.00290588/step Wall: 4510.32, 0.00290588/step, 2.78238 hours remaining, 204.796875 MB of memory in use. ENERGY: 1553000 717.6245 2099.8135 1973.0733 120.5138 -206288.4571 17899.2333 0.0000 0.0000 34382.8511 -149095.3477 300.2740 -183478.1988 -148997.1029 300.1303 4.5783 35.8281 558181.8055 15.2028 15.2590 PRESSURE: 1553200 28.2258 -210.868 9.75199 -210.867 -81.0168 97.0601 9.75155 97.059 -230.406 GPRESSURE: 1553200 29.3179 -237.025 -4.08634 -206.266 -65.9216 22.8664 -29.848 141.228 -160.075 PRESSAVG: 1553200 -40.7217 12.9547 -16.3805 12.9546 -15.967 18.502 -16.3805 18.5021 15.8277 GPRESSAVG: 1553200 -41.6013 13.4366 -15.1636 15.1755 -14.3777 18.4833 -18.9864 20.4788 15.1799 TIMING: 1553200 CPU: 4510.9, 0.00289909/step Wall: 4510.9, 0.00289909/step, 2.77572 hours remaining, 204.796875 MB of memory in use. ENERGY: 1553200 765.5504 2027.5788 1943.7407 111.8667 -206346.5905 17742.4652 0.0000 0.0000 34564.6883 -149190.7004 301.8620 -183755.3888 -149090.5326 300.0039 -94.3989 -65.5595 557678.3799 -13.6203 -13.5997 PRESSURE: 1553400 -125.66 77.8546 76.929 77.8537 50.6039 -118.859 76.9289 -118.859 43.983 GPRESSURE: 1553400 -110.401 79.2883 45.8764 79.6308 112.651 -84.9145 74.9678 -194.418 60.5828 PRESSAVG: 1553400 -75.672 -30.3681 -15.632 -30.368 103.051 -67.0615 -15.6321 -67.0615 -28.6946 GPRESSAVG: 1553400 -75.4016 -31.6507 -16.2091 -30.0107 102.267 -67.7769 -14.3096 -67.0276 -28.4737 TIMING: 1553400 CPU: 4511.48, 0.00291743/step Wall: 4511.48, 0.00291743/step, 2.79311 hours remaining, 204.796875 MB of memory in use. ENERGY: 1553400 731.6116 2109.1300 1979.6272 108.2101 -206308.2180 17645.8234 0.0000 0.0000 34405.5428 -149328.2729 300.4722 -183733.8158 -149226.0079 299.1057 -10.3577 20.9443 556266.4199 -0.4386 -0.5361 PRESSURE: 1553600 -52.5974 -46.6338 -25.1955 -46.6341 -106.344 -84.3081 -25.1952 -84.308 -146.176 GPRESSURE: 1553600 -37.1833 -30.3339 16.3934 -81.0325 -73.1279 -94.1068 -107.258 -108.126 -88.7215 PRESSAVG: 1553600 9.55074 24.9633 25.6059 24.9633 5.37993 -16.9676 25.6059 -16.9676 -8.97475 GPRESSAVG: 1553600 9.38971 25.5469 26.6494 24.8269 4.08948 -16.7394 24.3466 -17.8669 -7.11214 TIMING: 1553600 CPU: 4512.06, 0.00287393/step Wall: 4512.06, 0.00287393/step, 2.75131 hours remaining, 205.000000 MB of memory in use. ENERGY: 1553600 752.6033 2037.6611 1957.2013 109.8617 -206247.7597 17807.5315 0.0000 0.0000 34361.8912 -149221.0095 300.0909 -183582.9007 -149128.8919 299.0952 -101.7056 -66.3442 557621.5710 1.9853 2.1224 PRESSURE: 1553800 -243.946 146.505 -267.089 146.505 -186.789 -161.651 -267.088 -161.652 -119.609 GPRESSURE: 1553800 -202.191 189.288 -306.169 7.27594 -222.203 -168.226 -123.758 -215.799 -36.5881 PRESSAVG: 1553800 -52.6438 30.0182 -55.4256 30.0183 -8.05569 -50.9019 -55.4255 -50.9018 25.9342 GPRESSAVG: 1553800 -51.8056 31.7292 -58.1423 29.0196 -8.6772 -49.3282 -54.9601 -49.9629 26.3312 TIMING: 1553800 CPU: 4512.63, 0.00288584/step Wall: 4512.63, 0.00288584/step, 2.76255 hours remaining, 205.000000 MB of memory in use. ENERGY: 1553800 757.0440 2052.1203 1943.0839 114.0161 -205929.2863 17577.5699 0.0000 0.0000 34180.2617 -149305.1904 298.5047 -183485.4521 -149214.0900 298.6814 -183.4476 -153.6608 557356.9478 -11.5884 -11.3839 PRESSURE: 1554000 -32.1452 85.2693 -11.4831 85.2686 -26.604 -27.9028 -11.4826 -27.9039 -41.2215 GPRESSURE: 1554000 -6.16879 176.832 -83.503 8.03306 -31.1873 -54.8066 -19.5994 -54.3454 38.8962 PRESSAVG: 1554000 -8.39758 -11.0166 -0.874121 -11.0165 15.9661 -24.9628 -0.874079 -24.9628 -1.29044 GPRESSAVG: 1554000 -9.32195 -10.1733 0.852963 -11.5414 17.7948 -24.7201 -1.26921 -25.9048 -2.87265 TIMING: 1554000 CPU: 4513.21, 0.00289064/step Wall: 4513.21, 0.00289064/step, 2.76699 hours remaining, 205.000000 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: 1554000 689.4643 2161.8906 1959.3032 115.1508 -206127.5902 17798.0365 0.0000 0.0000 34269.6941 -149134.0507 299.2858 -183403.7448 -149032.1058 298.6338 -33.3236 0.5134 557994.6929 2.0927 1.8667 PRESSURE: 1554200 -475.568 -93.9413 -23.9562 -93.9419 116.977 -59.9472 -23.9546 -59.9485 -132.842 GPRESSURE: 1554200 -417.516 -79.4874 49.8368 -63.946 111.784 -46.2131 -78.2844 -7.53302 -98.5328 PRESSAVG: 1554200 -8.06737 23.3693 -66.2278 23.3694 15.1775 6.99537 -66.2277 6.99529 -23.6383 GPRESSAVG: 1554200 -7.54727 22.4608 -65.9066 22.4392 14.3878 6.73491 -67.0648 8.05565 -23.6745 TIMING: 1554200 CPU: 4513.79, 0.00289194/step Wall: 4513.79, 0.00289194/step, 2.76807 hours remaining, 205.000000 MB of memory in use. ENERGY: 1554200 743.2982 2100.9882 1952.2376 100.8718 -206015.5272 17681.2154 0.0000 0.0000 34301.3212 -149135.5947 299.5620 -183436.9158 -149041.2057 298.9780 -163.8114 -134.7553 557874.1727 -5.5094 -5.6113 PRESSURE: 1554400 -257.205 -95.3925 25.5279 -95.3925 -364.839 8.50517 25.5273 8.50555 -75.7782 GPRESSURE: 1554400 -279.553 -122.972 -57.9929 -67.2321 -303.316 -31.0584 13.2308 0.590544 -32.3585 PRESSAVG: 1554400 8.87801 39.8553 -17.4334 39.8553 -27.4641 -20.1 -17.4334 -20.1 56.5541 GPRESSAVG: 1554400 8.77171 41.0286 -19.0478 38.214 -27.2722 -19.0825 -16.716 -21.4656 56.8251 TIMING: 1554400 CPU: 4514.37, 0.00290315/step Wall: 4514.37, 0.00290315/step, 2.77864 hours remaining, 205.000000 MB of memory in use. ENERGY: 1554400 747.9138 2149.7405 1959.7677 124.6856 -205567.0765 17322.5565 0.0000 0.0000 34118.8376 -149143.5748 297.9683 -183262.4124 -149052.0931 298.9311 -232.6074 -205.0756 557580.7462 12.6560 12.7748 PRESSURE: 1554600 -92.4895 154.797 42.8512 154.798 -147.812 -2.29535 42.8499 -2.29422 -324.648 GPRESSURE: 1554600 -95.7741 172.869 88.3578 180.325 -148.448 -81.9301 13.9305 4.42739 -224.042 PRESSAVG: 1554600 -38.1674 2.54552 -21.0244 2.54551 15.9595 -58.1464 -21.0245 -58.1464 31.87 GPRESSAVG: 1554600 -38.0454 3.27403 -20.8138 2.60872 15.8323 -58.7831 -20.7845 -59.3011 31.9773 TIMING: 1554600 CPU: 4514.95, 0.00290475/step Wall: 4514.95, 0.00290475/step, 2.78001 hours remaining, 205.000000 MB of memory in use. ENERGY: 1554600 755.7019 2108.5011 1965.4494 118.5260 -206543.8188 17807.3886 0.0000 0.0000 34528.8401 -149259.4116 301.5489 -183788.2517 -149167.5542 299.0404 -188.3166 -156.0878 559406.2120 3.2207 3.2547 PRESSURE: 1554800 -89.6357 260.019 76.0214 260.019 -84.6968 -28.9692 76.0219 -28.9695 135.246 GPRESSURE: 1554800 -20.4013 228.449 50.4433 240.983 -30.0138 4.91688 34.7979 -44.2905 119.716 PRESSAVG: 1554800 77.7889 21.2002 -30.0297 21.2002 -32.9258 12.5945 -30.0297 12.5946 -32.2846 GPRESSAVG: 1554800 77.8168 17.0153 -29.2771 22.8931 -33.4849 12.6132 -30.2847 14.295 -31.989 TIMING: 1554800 CPU: 4515.53, 0.00291901/step Wall: 4515.53, 0.00291901/step, 2.79349 hours remaining, 205.000000 MB of memory in use. ENERGY: 1554800 744.3488 2115.7581 1941.7685 122.4935 -206263.8087 17895.2595 0.0000 0.0000 34302.2501 -149141.9300 299.5701 -183444.1802 -149046.4271 299.9219 -13.0288 23.1002 559106.3362 4.1928 4.1143 PRESSURE: 1555000 32.3565 84.2588 -33.8198 84.2595 203.184 43.6092 -33.8193 43.6098 121.462 GPRESSURE: 1555000 138.996 48.9132 -141.735 123.418 218.264 95.7551 -55.3823 -18.6312 113.093 PRESSAVG: 1555000 29.8855 18.1709 -9.90929 18.1709 -32.1995 0.371 -9.90925 0.370938 28.815 GPRESSAVG: 1555000 30.0602 20.9589 -10.0047 17.9858 -32.0635 2.37114 -12.4782 -1.25041 28.5187 TIMING: 1555000 CPU: 4516.12, 0.00291135/step Wall: 4516.12, 0.00291135/step, 2.786 hours remaining, 205.000000 MB of memory in use. ENERGY: 1555000 755.9587 2042.7258 1930.8603 124.6541 -206344.1349 17996.2408 0.0000 0.0000 34310.3042 -149183.3911 299.6404 -183493.6953 -149083.8898 299.5858 119.0009 156.7841 556748.2346 8.8337 8.8385 PRESSURE: 1555200 -85.1525 131.522 28.786 131.522 66.6139 146.743 28.785 146.74 53.9696 GPRESSURE: 1555200 -16.7636 117.12 58.7214 46.168 117.934 92.0992 28.8909 100.518 44.9454 PRESSAVG: 1555200 -53.8193 -15.8162 -50.9751 -15.8164 13.4578 51.1135 -50.9751 51.1135 46.3321 GPRESSAVG: 1555200 -52.8612 -16.7125 -51.7778 -15.9616 13.0555 49.0068 -48.8604 53.2946 45.1925 TIMING: 1555200 CPU: 4516.7, 0.00290972/step Wall: 4516.7, 0.00290972/step, 2.78428 hours remaining, 205.000000 MB of memory in use. ENERGY: 1555200 769.8162 2049.8863 1930.4098 102.0873 -206604.2568 18016.1729 0.0000 0.0000 34483.4866 -149252.3976 301.1529 -183735.8843 -149161.3430 299.0439 11.8103 48.7054 558249.2210 1.9902 1.7956 PRESSURE: 1555400 -15.5342 149.256 32.4514 149.256 -220.959 -114.945 32.4501 -114.945 -59.7083 GPRESSURE: 1555400 4.22943 108.488 59.1176 154.024 -156.97 -105.831 13.4931 -146.895 -44.2246 PRESSAVG: 1555400 -21.3072 -21.8699 11.988 -21.8698 60.2099 28.5157 11.9879 28.5156 2.50751 GPRESSAVG: 1555400 -21.0702 -22.5756 10.2641 -22.0403 59.8996 27.9094 15.1796 27.8945 2.11246 TIMING: 1555400 CPU: 4517.28, 0.00291356/step Wall: 4517.28, 0.00291356/step, 2.78779 hours remaining, 205.039062 MB of memory in use. ENERGY: 1555400 725.7572 2094.8225 1955.7783 120.3305 -206112.6310 17697.8342 0.0000 0.0000 34260.1836 -149257.9247 299.2027 -183518.1083 -149154.9946 299.5652 -98.7339 -65.6550 557845.4030 13.8034 13.6473 PRESSURE: 1555600 -21.7293 -7.70813 25.4762 -7.70668 -207.581 63.1819 25.4771 63.1813 -162.47 GPRESSURE: 1555600 48.6589 57.7808 15.3529 28.6608 -159.529 -5.79135 -31.0254 111.936 -188.658 PRESSAVG: 1555600 -10.719 -21.6827 22.287 -21.6827 -14.4389 -39.9228 22.2871 -39.9229 45.7429 GPRESSAVG: 1555600 -12.4867 -19.3737 23.2747 -20.9005 -14.5691 -39.0161 18.8371 -40.4424 47.5422 TIMING: 1555600 CPU: 4517.86, 0.00289935/step Wall: 4517.86, 0.00289935/step, 2.77403 hours remaining, 205.039062 MB of memory in use. ENERGY: 1555600 744.0443 2017.5199 1956.9155 119.7573 -205902.8777 17625.5506 0.0000 0.0000 34342.4501 -149096.6400 299.9212 -183439.0900 -148997.7733 299.3561 -130.5935 -99.8427 558800.6585 6.8617 6.8288 PRESSURE: 1555800 -42.8111 71.7175 -89.6971 71.7168 -73.6654 -40.4857 -89.6967 -40.4855 -48.2171 GPRESSURE: 1555800 43.3788 27.109 -10.0934 77.7237 32.5715 -141.518 -65.4819 -20.757 -146.037 PRESSAVG: 1555800 -9.10421 36.4918 -31.3806 36.4918 24.3706 -12.6704 -31.3807 -12.6704 -15.1704 GPRESSAVG: 1555800 -7.69659 33.1551 -32.1184 36.7415 24.822 -12.6072 -30.3828 -13.3714 -16.8204 TIMING: 1555800 CPU: 4518.44, 0.00291675/step Wall: 4518.44, 0.00291675/step, 2.79052 hours remaining, 205.039062 MB of memory in use. ENERGY: 1555800 718.3548 2074.2032 1960.8176 119.8514 -206178.4051 17779.8300 0.0000 0.0000 34313.8234 -149211.5247 299.6712 -183525.3481 -149109.9651 299.7203 -54.8979 -23.3621 558083.5308 0.0320 0.1017 PRESSURE: 1556000 -80.755 99.2534 -27.4819 99.254 -151.514 -75.2986 -27.4816 -75.2986 -438.827 GPRESSURE: 1556000 -10.8229 113.137 -8.27892 36.743 -119.042 -87.9609 -51.5689 25.4654 -443.786 PRESSAVG: 1556000 -43.4236 31.5261 -13.8782 31.5262 33.3096 -39.359 -13.8782 -39.359 24.418 GPRESSAVG: 1556000 -44.2115 33.8684 -12.0899 30.4526 33.4323 -41.4784 -16.4262 -37.6263 25.055 TIMING: 1556000 CPU: 4519.02, 0.00288697/step Wall: 4519.02, 0.00288697/step, 2.76187 hours remaining, 205.039062 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: 1556000 740.4276 2139.2239 1936.0495 108.8238 -205826.7890 17504.6596 0.0000 0.0000 34136.9169 -149260.6875 298.1262 -183397.6045 -149164.2718 298.8179 -223.6987 -191.2172 558726.7509 4.7680 4.7586 PRESSURE: 1556200 -4.9169 239.027 -0.809035 239.028 -117.663 81.6371 -0.808737 81.6365 124.437 GPRESSURE: 1556200 26.2005 226.986 25.3735 287.319 -43.1488 117.803 -5.41699 21.4098 118.332 PRESSAVG: 1556200 -84.5527 77.4481 -6.46077 77.4483 81.9948 -25.0152 -6.46082 -25.0154 37.6602 GPRESSAVG: 1556200 -84.2607 75.9834 -7.77662 77.5657 82.5608 -21.1065 -5.0531 -27.1222 36.7175 TIMING: 1556200 CPU: 4519.6, 0.00289685/step Wall: 4519.6, 0.00289685/step, 2.77116 hours remaining, 205.039062 MB of memory in use. ENERGY: 1556200 760.9542 2112.6629 1931.7324 108.9731 -206458.6994 17878.4168 0.0000 0.0000 34164.2471 -149501.7128 298.3649 -183665.9599 -149401.6652 298.6513 0.6192 33.7945 556431.9414 11.7008 11.6725 LDB: ============= START OF LOAD BALANCING ============== 4523.06 LDB: ============== END OF LOAD BALANCING =============== 4523.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4523.06 LDB: ============= START OF LOAD BALANCING ============== 4523.35 LDB: Largest compute 4821 load 0.028553 is 24.3% of average load 0.117702 LDB: Average compute 0.001712 is 1.5% of average load 0.117702 LDB: TIME 4523.36 LOAD: AVG 0.117702 MAX 0.176814 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.148 MB LDB: TIME 4523.36 LOAD: AVG 0.117702 MAX 0.176814 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 4523.36 LOAD: AVG 0.117702 MAX 0.176814 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4523.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4523.36 PRESSURE: 1556400 190.336 226.222 -144.889 226.223 75.7751 -96.512 -144.889 -96.5134 -165.538 GPRESSURE: 1556400 258.919 133.177 -135.657 292.07 100.243 -129.54 -229.453 -43.9218 -159.631 PRESSAVG: 1556400 -34.7671 16.1594 -49.8381 16.1594 -13.6755 -52.0361 -49.838 -52.0363 -8.30138 GPRESSAVG: 1556400 -35.6529 16.6144 -49.9609 18.3443 -14.6872 -54.6933 -48.894 -49.1552 -6.16808 TIMING: 1556400 CPU: 4520.19, 0.00293213/step Wall: 4520.19, 0.00293213/step, 2.80475 hours remaining, 204.082031 MB of memory in use. ENERGY: 1556400 717.6019 2094.8972 1950.9040 105.5920 -206348.5326 17789.0341 0.0000 0.0000 34319.1035 -149371.3999 299.7173 -183690.5034 -149274.3693 298.4624 33.5244 66.5099 557299.5760 -18.9147 -18.8361 PRESSURE: 1556600 -23.443 138.207 -208.035 138.207 -208.686 10.6572 -208.034 10.6567 148.86 GPRESSURE: 1556600 44.7943 153.86 -130.625 138.477 -206.797 -74.1508 -268.539 100.784 186.502 PRESSAVG: 1556600 -59.9811 22.6107 -55.8472 22.6107 -70.7026 27.2667 -55.847 27.2667 28.3189 GPRESSAVG: 1556600 -59.6383 22.0274 -55.1255 21.4489 -69.9337 27.0195 -55.8896 27.3459 28.2564 TIMING: 1556600 CPU: 4520.76, 0.00287809/step Wall: 4520.76, 0.00287809/step, 2.7529 hours remaining, 204.285156 MB of memory in use. ENERGY: 1556600 716.5932 2110.3780 1986.3108 125.0387 -206055.0872 17667.6634 0.0000 0.0000 33955.1361 -149493.9671 296.5386 -183449.1031 -149400.8925 299.0925 -27.7562 8.1665 556598.6476 -34.1216 -33.7719 PRESSURE: 1556800 -235.712 -55.8209 -42.3987 -55.823 -191.05 -13.9951 -42.397 -13.994 308.297 GPRESSURE: 1556800 -157.564 -31.3245 -58.6632 -5.3677 -147.416 44.849 -86.9793 -44.6324 274.887 PRESSAVG: 1556800 7.86285 -18.4738 -8.00606 -18.4737 19.5434 -49.8901 -8.00597 -49.8901 -8.04446 GPRESSAVG: 1556800 7.67978 -18.7826 -8.47567 -17.1557 19.2043 -49.1493 -9.09919 -50.5484 -7.74099 TIMING: 1556800 CPU: 4521.34, 0.00288283/step Wall: 4521.34, 0.00288283/step, 2.75726 hours remaining, 204.324219 MB of memory in use. ENERGY: 1556800 714.6951 2048.4997 1950.6516 113.5971 -206255.3971 17668.2125 0.0000 0.0000 34055.1742 -149704.5668 297.4123 -183759.7410 -149611.2279 297.9713 -39.4886 -10.0309 557253.9768 6.4539 6.3810 PRESSURE: 1557000 -325.283 -183.118 -65.6345 -183.118 -33.226 -60.7909 -65.6358 -60.7894 69.197 GPRESSURE: 1557000 -291.371 -172.824 -34.5691 -165.877 36.9207 -127.959 -44.4895 6.67319 83.48 PRESSAVG: 1557000 -65.3846 15.6328 -27.9426 15.6328 13.2051 -23.0268 -27.9426 -23.0269 72.6059 GPRESSAVG: 1557000 -65.5443 15.4725 -27.2291 13.8291 12.9718 -22.4204 -26.8744 -23.2652 73.7604 TIMING: 1557000 CPU: 4521.92, 0.00288721/step Wall: 4521.92, 0.00288721/step, 2.7613 hours remaining, 204.324219 MB of memory in use. ENERGY: 1557000 740.3973 2085.7083 1954.0773 117.5663 -206472.4575 17895.9324 0.0000 0.0000 34032.8530 -149645.9229 297.2174 -183678.7759 -149551.1075 297.6362 -96.4374 -56.9900 559010.5180 6.8088 7.0626 PRESSURE: 1557200 -229.636 -119.259 -123.444 -119.257 109.774 -43.2405 -123.444 -43.2418 166.802 GPRESSURE: 1557200 -194.314 -70.7151 -96.2651 -178.902 128.476 -81.2575 -133.384 -48.5584 213.873 PRESSAVG: 1557200 -28.6848 11.5434 -37.8996 11.5434 -40.7456 3.12338 -37.8995 3.12336 24.035 GPRESSAVG: 1557200 -27.4762 11.8315 -39.7046 11.5159 -40.0002 1.77355 -39.0493 1.99298 21.6643 TIMING: 1557200 CPU: 4522.5, 0.00292511/step Wall: 4522.5, 0.00292511/step, 2.79738 hours remaining, 204.324219 MB of memory in use. ENERGY: 1557200 732.0114 2119.5435 1960.0230 112.5475 -206338.2912 17932.5802 0.0000 0.0000 33907.7574 -149573.8281 296.1249 -183481.5855 -149479.5009 297.5039 15.6466 49.3452 559385.0287 -15.1318 -15.2707 PRESSURE: 1557400 -65.8054 -20.0454 -27.693 -20.0457 71.0627 -34.6343 -27.6928 -34.6349 -46.2694 GPRESSURE: 1557400 -26.6772 19.9646 -59.4323 2.67642 64.5575 -8.11838 -47.5586 -68.4322 26.049 PRESSAVG: 1557400 -68.6586 18.6462 -57.9131 18.6462 1.22407 -9.99939 -57.9131 -9.9995 65.4999 GPRESSAVG: 1557400 -69.8273 18.2685 -57.8538 19.0669 1.67074 -8.84851 -56.2897 -9.64373 66.128 TIMING: 1557400 CPU: 4523.09, 0.00291699/step Wall: 4523.09, 0.00291699/step, 2.78946 hours remaining, 204.324219 MB of memory in use. ENERGY: 1557400 759.3588 2083.0277 1951.4819 121.5605 -206211.3540 17890.5248 0.0000 0.0000 33976.5648 -149428.8354 296.7258 -183405.4002 -149336.7555 298.4231 -13.6707 21.3098 557176.4091 -0.6449 -0.6762 PRESSURE: 1557600 17.5427 87.2289 30.375 87.2299 -106.545 -200.824 30.3756 -200.823 -187.05 GPRESSURE: 1557600 80.9024 90.5219 23.3727 33.5232 -93.57 -190.02 -11.4163 -172.04 -175.397 PRESSAVG: 1557600 20.5786 -5.33591 -15.9879 -5.33593 -23.4135 17.8319 -15.9878 17.8319 27.8113 GPRESSAVG: 1557600 20.7094 -5.61091 -11.4535 -7.30837 -24.5203 17.1381 -20.2302 16.5244 28.6591 TIMING: 1557600 CPU: 4523.67, 0.00291051/step Wall: 4523.67, 0.00291051/step, 2.78309 hours remaining, 204.324219 MB of memory in use. ENERGY: 1557600 734.1118 2105.7764 1967.4404 114.6143 -206474.3763 17807.5327 0.0000 0.0000 34267.5017 -149477.3990 299.2666 -183744.9007 -149374.3290 298.5790 -92.0173 -62.6882 556408.4682 8.3254 8.2827 PRESSURE: 1557800 -80.2082 -120.39 188.063 -120.391 137.028 247.49 188.063 247.492 125.081 GPRESSURE: 1557800 -31.6679 -7.44114 144.372 -108.318 112.421 158.144 226.384 275.711 194.753 PRESSAVG: 1557800 -29.4746 73.1561 65.9583 73.1561 36.4114 -40.6997 65.9583 -40.6995 -69.0969 GPRESSAVG: 1557800 -29.7718 73.6887 62.8844 74.3555 35.8656 -41.0953 67.7949 -36.6416 -68.1807 TIMING: 1557800 CPU: 4524.25, 0.00292486/step Wall: 4524.25, 0.00292486/step, 2.79665 hours remaining, 204.324219 MB of memory in use. ENERGY: 1557800 747.0210 2134.1164 1963.7943 116.8229 -206589.1073 18012.7146 0.0000 0.0000 34160.4908 -149454.1473 298.3321 -183614.6381 -149364.8063 298.5744 60.6335 91.8353 556358.7900 -20.7200 -20.6956 PRESSURE: 1558000 -149.043 -9.0939 -79.3371 -9.09333 -258.171 85.1008 -79.3381 85.1003 56.1131 GPRESSURE: 1558000 -86.2679 -14.1975 -139.271 50.2479 -249.782 66.0734 -60.2222 40.2512 91.1895 PRESSAVG: 1558000 27.5969 57.3769 11.8972 57.377 -32.3378 -4.21653 11.8972 -4.21659 20.4511 GPRESSAVG: 1558000 27.8847 58.6686 12.7155 56.6494 -31.6228 -3.08256 13.8442 -6.6671 19.3132 TIMING: 1558000 CPU: 4524.84, 0.0029227/step Wall: 4524.84, 0.0029227/step, 2.79443 hours remaining, 204.324219 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: 1558000 751.3430 2088.3403 1960.1668 106.6219 -206209.0573 17667.5415 0.0000 0.0000 34295.5561 -149339.4878 299.5116 -183635.0438 -149244.5578 299.1294 -117.0337 -81.6202 557396.1198 5.2368 5.1917 PRESSURE: 1558200 24.1798 36.3638 19.3682 36.3651 -39.7772 -78.0759 19.3681 -78.0748 -173.587 GPRESSURE: 1558200 110.273 9.54103 39.9246 88.1496 10.6428 -60.0465 41.8646 -113.769 -211.547 PRESSAVG: 1558200 35.2083 52.5876 -27.0029 52.5875 -8.29842 13.0499 -27.003 13.0499 -40.5887 GPRESSAVG: 1558200 35.1264 51.1642 -28.7281 54.1378 -8.13009 11.2686 -26.0712 13.8598 -40.616 TIMING: 1558200 CPU: 4525.42, 0.00291872/step Wall: 4525.42, 0.00291872/step, 2.79046 hours remaining, 204.324219 MB of memory in use. ENERGY: 1558200 761.3451 2089.6271 1974.7705 115.0713 -206333.4207 17756.7200 0.0000 0.0000 34358.1605 -149277.7262 300.0584 -183635.8867 -149181.0533 299.2519 -63.0613 -30.2107 557391.1241 -4.5596 -4.5399 PRESSURE: 1558400 97.1024 -157.875 -125.686 -157.875 -127.813 -161.618 -125.686 -161.618 41.3545 GPRESSURE: 1558400 138.242 -149.848 -141.759 -66.4406 -43.6995 -131.745 -89.3538 -189.463 12.8465 PRESSAVG: 1558400 -10.5833 -41.3512 84.4749 -41.3512 24.5928 26.9765 84.4749 26.9765 -23.1047 GPRESSAVG: 1558400 -10.3759 -40.2099 85.5611 -41.0628 24.2033 27.5093 83.976 28.4272 -23.1105 TIMING: 1558400 CPU: 4526, 0.00289249/step Wall: 4526, 0.00289249/step, 2.76522 hours remaining, 204.324219 MB of memory in use. ENERGY: 1558400 707.5613 2072.4146 1983.4352 125.6222 -206051.7235 17746.9177 0.0000 0.0000 34163.5964 -149252.1762 298.3592 -183415.7726 -149152.3047 299.1093 3.5481 35.7964 556392.8363 -3.0317 -3.0944 PRESSURE: 1558600 -71.1587 139.299 -30.9502 139.297 -35.9907 134.563 -30.9495 134.565 31.1743 GPRESSURE: 1558600 10.3616 132.535 59.7075 133.089 -19.6371 189.441 -37.0319 116.999 25.9712 PRESSAVG: 1558600 -4.47688 65.9706 0.789845 65.9706 -67.5453 27.0963 0.789941 27.0963 45.4665 GPRESSAVG: 1558600 -3.34806 65.3664 -0.794857 64.4702 -68.0599 29.088 0.453736 24.0548 44.2599 TIMING: 1558600 CPU: 4526.58, 0.00291034/step Wall: 4526.58, 0.00291034/step, 2.78212 hours remaining, 204.324219 MB of memory in use. ENERGY: 1558600 751.0890 2047.8133 1974.8869 107.0020 -206001.7532 17570.6114 0.0000 0.0000 34275.0351 -149275.3153 299.3324 -183550.3505 -149170.6215 298.6249 -25.3250 5.5653 555239.0557 -8.8519 -9.0494 PRESSURE: 1558800 166.655 -43.8892 -144.375 -43.8884 -268.772 24.9603 -144.375 24.9603 -1.21346 GPRESSURE: 1558800 213.905 -19.5887 -193.258 -37.5711 -254.363 7.31967 -188.213 33.2366 34.4706 PRESSAVG: 1558800 35.44 -22.9023 -1.95223 -22.9023 -19.7601 -8.19412 -1.95219 -8.19404 23.663 GPRESSAVG: 1558800 33.3741 -23.1451 -1.33375 -23.9029 -18.5603 -8.02884 -1.63558 -8.13598 24.8316 TIMING: 1558800 CPU: 4527.16, 0.00291235/step Wall: 4527.16, 0.00291235/step, 2.78388 hours remaining, 204.324219 MB of memory in use. ENERGY: 1558800 752.2449 2131.7346 1972.4304 121.6705 -205960.2996 17533.8082 0.0000 0.0000 34172.2068 -149276.2043 298.4344 -183448.4111 -149182.4769 299.5706 -34.4433 -1.9959 555885.1555 13.1143 13.2152 PRESSURE: 1559000 -134.774 34.7013 73.1806 34.7012 67.4626 -208.101 73.1811 -208.101 -175.424 GPRESSURE: 1559000 -75.6458 55.3709 111.398 64.7646 46.6821 -168.826 110.751 -258.752 -119.313 PRESSAVG: 1559000 -8.49808 6.78935 4.86171 6.78937 -11.4209 -24.9956 4.86169 -24.9956 23.0714 GPRESSAVG: 1559000 -7.27843 7.59576 5.95689 7.82883 -11.3365 -26.138 5.4023 -24.5747 21.9032 TIMING: 1559000 CPU: 4527.74, 0.00289943/step Wall: 4527.74, 0.00289943/step, 2.77137 hours remaining, 204.324219 MB of memory in use. ENERGY: 1559000 752.4147 2038.2646 1955.5750 113.7766 -206080.5622 17660.4275 0.0000 0.0000 34299.6231 -149260.4808 299.5471 -183560.1039 -149162.4566 298.8525 -80.9117 -49.4257 556030.7448 1.0508 1.0961 PRESSURE: 1559200 230.068 129.58 19.8798 129.58 -117.154 -113.622 19.8792 -113.622 -24.5259 GPRESSURE: 1559200 249.397 140.068 43.7805 76.5616 -166.187 -50.2023 -8.55086 -124.926 89.6102 PRESSAVG: 1559200 29.931 38.0694 70.0133 38.0694 -58.8575 -37.6064 70.0133 -37.6064 46.0716 GPRESSAVG: 1559200 29.7012 37.1635 69.5812 36.3384 -59.5478 -37.7228 68.2564 -36.8666 47.567 TIMING: 1559200 CPU: 4528.33, 0.00290638/step Wall: 4528.33, 0.00290638/step, 2.77785 hours remaining, 204.324219 MB of memory in use. ENERGY: 1559200 781.5196 2119.7401 1974.3388 107.3932 -206483.2794 18130.0068 0.0000 0.0000 34267.1241 -149103.1567 299.2633 -183370.2809 -149007.7622 299.3015 29.4626 57.6066 558116.7373 5.7150 5.9068 PRESSURE: 1559400 -26.2834 -61.5238 32.9812 -61.5248 -60.4999 -143.058 32.9811 -143.058 -284.795 GPRESSURE: 1559400 22.8988 -1.05562 -29.4175 -81.6684 -32.1251 -167.545 167.248 -101.387 -260.018 PRESSAVG: 1559400 57.5818 15.7423 71.1924 15.7423 -42.8936 -80.0338 71.1924 -80.0339 -53.4059 GPRESSAVG: 1559400 59.3107 16.4571 70.4004 16.3814 -43.7801 -78.3314 73.5886 -79.5262 -53.8856 TIMING: 1559400 CPU: 4528.91, 0.00290482/step Wall: 4528.91, 0.00290482/step, 2.7762 hours remaining, 204.324219 MB of memory in use. ENERGY: 1559400 759.8313 2132.0485 1952.6145 116.9132 -205690.3203 17557.8279 0.0000 0.0000 34082.9944 -149088.0905 297.6553 -183171.0849 -148993.4695 299.4525 -123.8593 -89.7480 558656.3482 -12.9059 -12.7850 PRESSURE: 1559600 -260.916 56.9659 55.1029 56.9665 -320.947 -140.573 55.1022 -140.573 -269.111 GPRESSURE: 1559600 -250.568 74.3891 93.6076 153.833 -248.41 -0.017852 30.2518 -232.278 -250.734 PRESSAVG: 1559600 29.2871 -9.62562 5.53898 -9.62552 -62.5769 -33.4481 5.53888 -33.4481 14.9485 GPRESSAVG: 1559600 27.4961 -9.19804 7.82504 -8.01041 -60.3666 -36.0722 2.75891 -33.6228 14.3177 TIMING: 1559600 CPU: 4529.48, 0.00289178/step Wall: 4529.48, 0.00289178/step, 2.76358 hours remaining, 204.324219 MB of memory in use. ENERGY: 1559600 760.8047 2092.2987 1966.1778 108.9974 -205603.7380 17497.5851 0.0000 0.0000 34275.5286 -148902.3457 299.3367 -183177.8743 -148803.2657 299.5860 -283.6584 -249.9038 559170.7008 -6.1137 -6.1843 PRESSURE: 1559800 -32.6156 -54.9973 -71.37 -54.9964 -164.806 -23.319 -71.3702 -23.3203 -165.88 GPRESSURE: 1559800 0.0718989 -96.5855 -10.3945 -78.1999 -138.123 31.7659 -108.25 15.2417 -130.558 PRESSAVG: 1559800 38.8045 -0.747812 28.6785 -0.747752 -30.4411 -32.4857 28.6785 -32.4857 6.91571 GPRESSAVG: 1559800 40.0521 -0.499624 28.8777 -0.985686 -31.7828 -30.875 29.0427 -33.555 7.50302 TIMING: 1559800 CPU: 4530.06, 0.00289667/step Wall: 4530.06, 0.00289667/step, 2.76809 hours remaining, 204.527344 MB of memory in use. ENERGY: 1559800 733.3641 2086.2700 1962.5680 119.9415 -205599.5602 17551.5304 0.0000 0.0000 34243.6052 -148902.2809 299.0579 -183145.8862 -148805.0203 300.0901 -121.1003 -89.5366 559624.5207 5.0931 5.2574 PRESSURE: 1560000 -45.9621 64.6695 84.2502 64.6692 -29.1704 -11.6871 84.251 -11.6874 -63.5521 GPRESSURE: 1560000 -16.4267 49.6095 16.6849 146.843 -35.8686 -25.0473 120.603 -52.9486 -10.5157 PRESSAVG: 1560000 4.66027 -13.6199 -8.39762 -13.62 69.3549 -22.2033 -8.39765 -22.2031 -50.3928 GPRESSAVG: 1560000 4.92832 -15.3131 -9.99134 -11.9049 70.1775 -22.8158 -7.87216 -21.2217 -51.4907 TIMING: 1560000 CPU: 4530.64, 0.00290171/step Wall: 4530.64, 0.00290171/step, 2.77274 hours remaining, 204.527344 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: 1560000 738.9059 2169.5976 1936.4493 108.7532 -205537.7429 17501.8152 0.0000 0.0000 34175.2292 -148906.9925 298.4608 -183082.2217 -148808.4401 299.4752 -46.2282 -20.9370 558129.0408 7.8741 7.8717 PRESSURE: 1560200 112.208 -27.8721 -28.9821 -27.8718 40.458 85.2187 -28.9816 85.219 -73.3065 GPRESSURE: 1560200 189.468 -26.1364 11.8017 -24.8294 91.7249 232.746 -82.1984 127.534 -100.789 PRESSAVG: 1560200 26.772 17.7929 24.1564 17.7929 2.37567 48.5574 24.1562 48.5575 -65.3923 GPRESSAVG: 1560200 26.5254 19.4771 23.4144 15.9061 2.52242 49.1137 23.7475 47.8007 -65.4715 TIMING: 1560200 CPU: 4531.23, 0.00290752/step Wall: 4531.23, 0.00290752/step, 2.77814 hours remaining, 204.527344 MB of memory in use. ENERGY: 1560200 779.3502 2088.5893 1981.8332 119.1176 -206122.4449 17921.1837 0.0000 0.0000 34290.9376 -148941.4334 299.4713 -183232.3710 -148840.9344 299.7768 26.4531 60.1345 558121.1759 -12.0815 -12.1412 LDB: ============= START OF LOAD BALANCING ============== 4534.69 LDB: ============== END OF LOAD BALANCING =============== 4534.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4534.69 LDB: ============= START OF LOAD BALANCING ============== 4534.98 LDB: Largest compute 4821 load 0.028420 is 24.1% of average load 0.117735 LDB: Average compute 0.001717 is 1.5% of average load 0.117735 LDB: TIME 4534.98 LOAD: AVG 0.117735 MAX 0.17803 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.488 MB LDB: TIME 4534.98 LOAD: AVG 0.117735 MAX 0.17803 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.559 MB LDB: TIME 4534.98 LOAD: AVG 0.117735 MAX 0.17803 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.559 MB LDB: ============== END OF LOAD BALANCING =============== 4534.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4534.99 PRESSURE: 1560400 -34.8229 200.479 60.7379 200.479 134.385 11.5038 60.7376 11.5028 -239.569 GPRESSURE: 1560400 -31.7224 222.014 -101.395 111.628 163.551 -76.0079 113.249 48.4073 -169.148 PRESSAVG: 1560400 53.6324 31.6249 -4.00145 31.6248 -22.9439 41.2863 -4.00147 41.2864 -54.4303 GPRESSAVG: 1560400 54.1669 30.2291 -1.89652 32.2117 -25.2 38.93 -6.21546 42.9692 -52.7636 TIMING: 1560400 CPU: 4531.82, 0.00294981/step Wall: 4531.82, 0.00294981/step, 2.81838 hours remaining, 205.363281 MB of memory in use. ENERGY: 1560400 735.3698 2104.7896 1961.1695 117.4126 -205882.2836 17704.5725 0.0000 0.0000 34427.8236 -148831.1460 300.6667 -183258.9696 -148734.2481 299.8186 -46.6689 -12.4398 558011.2930 -7.9139 -7.9323 PRESSURE: 1560600 36.2175 -127.347 -45.1943 -127.346 -135.487 26.3589 -45.1941 26.3583 105.828 GPRESSURE: 1560600 60.1198 -73.6552 59.5254 -121.817 -57.1074 129.278 -101.905 35.2474 99.1178 PRESSAVG: 1560600 -20.6168 -46.6673 -35.14 -46.6674 71.2937 19.8776 -35.14 19.8776 -54.7446 GPRESSAVG: 1560600 -21.1943 -47.6918 -37.6527 -46.7817 73.6691 20.4095 -33.5209 19.8584 -56.1112 TIMING: 1560600 CPU: 4532.39, 0.0028836/step Wall: 4532.39, 0.0028836/step, 2.75496 hours remaining, 205.566406 MB of memory in use. ENERGY: 1560600 765.5504 2129.5703 1961.2961 102.6218 -205733.3843 17783.0461 0.0000 0.0000 34117.9234 -148873.3761 297.9603 -182991.2996 -148783.5210 299.3841 2.1862 34.0434 558756.0411 -1.3559 -1.2121 PRESSURE: 1560800 -178.147 -63.2013 54.7098 -63.1997 14.9444 2.21229 54.7095 2.20958 14.4113 GPRESSURE: 1560800 -149.607 -174.707 47.5005 -50.8588 61.438 -16.4572 33.2232 28.8416 41.3696 PRESSAVG: 1560800 85.4893 16.4262 -19.8006 16.4262 0.829908 11.85 -19.8006 11.8502 -47.7829 GPRESSAVG: 1560800 85.6319 16.5371 -17.519 17.5802 -0.0262257 11.6488 -20.5124 11.7022 -46.8509 TIMING: 1560800 CPU: 4532.97, 0.00287496/step Wall: 4532.97, 0.00287496/step, 2.74654 hours remaining, 205.566406 MB of memory in use. ENERGY: 1560800 741.8001 2098.6589 1960.6080 109.2593 -205530.6882 17504.1943 0.0000 0.0000 34224.7057 -148891.4620 298.8929 -183116.1676 -148795.5656 299.4237 -49.5972 -15.5999 558396.7704 12.8454 12.9182 PRESSURE: 1561000 -48.9545 64.8503 54.0432 64.8496 -72.493 60.229 54.0447 60.2298 78.8544 GPRESSURE: 1561000 16.6043 61.2195 47.5315 19.4781 -62.5675 -1.14446 94.7052 73.4901 105.973 PRESSAVG: 1561000 -7.57736 -9.51211 -11.0067 -9.51209 0.148803 -38.1103 -11.0066 -38.1103 -10.995 GPRESSAVG: 1561000 -7.99764 -9.27197 -12.2558 -9.20103 0.684127 -38.4163 -10.8834 -36.5153 -10.7532 TIMING: 1561000 CPU: 4533.55, 0.00289978/step Wall: 4533.55, 0.00289978/step, 2.7701 hours remaining, 205.566406 MB of memory in use. ENERGY: 1561000 733.8976 2021.4176 1957.5539 110.4420 -205638.8888 17598.2869 0.0000 0.0000 34325.2917 -148891.9990 299.7713 -183217.2907 -148787.3537 299.1856 -14.1977 20.0034 557262.7639 -6.1412 -6.0222 PRESSURE: 1561200 -55.9477 243.837 -132.832 243.837 -205.882 -101.13 -132.832 -101.131 43.3746 GPRESSURE: 1561200 14.1479 192.891 -154.958 199.609 -139.27 -72.0094 -59.9984 -148.566 -7.98103 PRESSAVG: 1561200 25.6518 41.8913 -19.72 41.8913 -50.0502 11.9099 -19.72 11.9099 53.5677 GPRESSAVG: 1561200 26.1919 42.0303 -19.8188 40.8739 -50.5075 11.8332 -19.7783 10.0413 53.9746 TIMING: 1561200 CPU: 4534.13, 0.00290133/step Wall: 4534.13, 0.00290133/step, 2.77141 hours remaining, 205.769531 MB of memory in use. ENERGY: 1561200 733.2460 2094.6773 1958.8071 109.2022 -205842.5210 17573.9388 0.0000 0.0000 34551.8291 -148820.8206 301.7497 -183372.6496 -148719.8629 300.1781 -72.8185 -44.3676 558949.2671 9.7231 9.8863 PRESSURE: 1561400 -40.0924 128.032 -21.1813 128.032 24.0686 26.4876 -21.181 26.4881 -158.925 GPRESSURE: 1561400 -24.5001 98.2586 -16.1276 117.83 32.874 22.5391 9.5361 76.5519 -72.5356 PRESSAVG: 1561400 -5.66804 25.9205 -30.7504 25.9205 1.87765 -19.2858 -30.7503 -19.2858 -14.8499 GPRESSAVG: 1561400 -5.16203 25.6537 -29.3533 25.8226 2.43745 -19.3893 -30.0886 -17.7769 -15.0778 TIMING: 1561400 CPU: 4534.71, 0.00291875/step Wall: 4534.71, 0.00291875/step, 2.78789 hours remaining, 205.769531 MB of memory in use. ENERGY: 1561400 735.2117 2155.5082 1996.9469 115.6834 -206091.6415 17806.3564 0.0000 0.0000 34346.1011 -148935.8339 299.9530 -183281.9350 -148845.8591 299.6536 -58.3162 -21.3873 558880.4455 -6.2134 -5.9341 PRESSURE: 1561600 88.5061 -117.584 -14.7523 -117.584 -122.744 134.855 -14.7521 134.854 149.104 GPRESSURE: 1561600 122.711 -138.38 -66.5607 -37.9059 -35.4701 155.738 -16.3876 57.9002 123.98 PRESSAVG: 1561600 44.9678 9.67335 21.8054 9.67329 -58.5715 45.8038 21.8053 45.8037 23.1086 GPRESSAVG: 1561600 44.2076 11.6028 20.941 9.43529 -58.2761 46.5506 20.5619 44.8702 24.1092 TIMING: 1561600 CPU: 4535.29, 0.00290354/step Wall: 4535.29, 0.00290354/step, 2.7732 hours remaining, 205.769531 MB of memory in use. ENERGY: 1561600 748.8584 2068.3457 1995.0789 118.3514 -206420.9408 18011.2997 0.0000 0.0000 34343.4079 -149135.5988 299.9295 -183479.0067 -149040.7416 299.5528 38.2887 70.4070 559831.0504 3.1683 3.3469 PRESSURE: 1561800 16.4639 27.2258 84.2191 27.2259 102.966 74.9677 84.2201 74.9683 -85.939 GPRESSURE: 1561800 3.29141 -27.1104 101.699 10.7725 154.633 71.8733 -21.1342 83.6567 -19.3833 PRESSAVG: 1561800 9.23074 22.7616 2.15018 22.7616 -15.2917 34.8637 2.15031 34.8636 12.4559 GPRESSAVG: 1561800 10.0187 19.7414 1.99292 23.4703 -14.9731 33.7747 3.97073 35.8336 11.2046 TIMING: 1561800 CPU: 4535.87, 0.00287776/step Wall: 4535.87, 0.00287776/step, 2.74842 hours remaining, 205.878906 MB of memory in use. ENERGY: 1561800 719.0215 2097.6734 1967.9165 118.9033 -206288.0406 17948.1510 0.0000 0.0000 34250.8778 -149185.4972 299.1214 -183436.3750 -149087.0725 298.7184 11.1638 46.1804 559580.6637 2.1317 2.0834 PRESSURE: 1562000 -246.696 179.185 -113.026 179.185 -280.76 163.133 -113.025 163.132 -142.181 GPRESSURE: 1562000 -243.642 162.365 -141.074 144 -187.6 114.515 -38.4756 150.231 -150.205 PRESSAVG: 1562000 -6.49196 23.9228 -0.0823695 23.9228 5.21694 37.6848 -0.0823024 37.6848 49.3868 GPRESSAVG: 1562000 -5.73584 24.857 0.304217 23.2294 5.08231 39.2039 -0.812674 36.3841 49.1714 TIMING: 1562000 CPU: 4536.44, 0.00287862/step Wall: 4536.44, 0.00287862/step, 2.74908 hours remaining, 205.878906 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: 1562000 772.1929 2083.2356 1950.6219 103.9150 -206059.1449 17717.2035 0.0000 0.0000 34195.9974 -149235.9784 298.6422 -183431.9758 -149141.2263 299.0610 -223.2123 -193.8154 560612.1486 16.0373 16.1726 PRESSURE: 1562200 60.4636 13.6562 -30.2944 13.6559 81.5416 12.5963 -30.2935 12.5958 -147.479 GPRESSURE: 1562200 114.049 15.637 -80.1985 -40.8871 125.664 23.9678 -25.0128 15.3982 -150.722 PRESSAVG: 1562200 54.2432 -7.07838 40.301 -7.07833 -62.827 -9.43104 40.3008 -9.43105 -54.7475 GPRESSAVG: 1562200 54.3114 -8.69124 38.3645 -6.48374 -62.2742 -10.2721 41.2937 -9.36266 -55.0353 TIMING: 1562200 CPU: 4537.02, 0.00288885/step Wall: 4537.02, 0.00288885/step, 2.75869 hours remaining, 205.878906 MB of memory in use. ENERGY: 1562200 754.0827 2091.3817 1957.8799 112.7171 -206293.0250 17877.4044 0.0000 0.0000 34218.7828 -149280.7764 298.8411 -183499.5592 -149181.5188 298.4673 -1.8247 29.6639 558146.3990 -21.1104 -20.9994 PRESSURE: 1562400 -338.669 -191.411 90.8805 -191.411 -269.807 189.101 90.8793 189.1 -193.194 GPRESSURE: 1562400 -336.9 -152.577 89.7241 -194.789 -193.348 125.606 35.4922 228 -165.516 PRESSAVG: 1562400 12.6069 -17.5271 25.5719 -17.527 42.8949 51.7387 25.572 51.7386 -70.9368 GPRESSAVG: 1562400 11.1086 -18.375 27.4839 -16.7974 44.0104 52.8167 24.1129 49.6074 -70.1546 TIMING: 1562400 CPU: 4537.6, 0.00291638/step Wall: 4537.6, 0.00291638/step, 2.78482 hours remaining, 205.878906 MB of memory in use. ENERGY: 1562400 754.3517 2063.5469 1985.2783 102.0298 -205998.8915 17676.5585 0.0000 0.0000 34227.4341 -149189.6922 298.9167 -183417.1263 -149098.2924 299.0243 -267.2233 -231.9211 560164.3523 -5.1450 -5.0119 PRESSURE: 1562600 378.459 98.9458 -122.819 98.9463 -12.0834 8.70879 -122.819 8.70945 -89.033 GPRESSURE: 1562600 367.293 130.556 -12.0226 41.4246 93.6074 80.3834 -152.285 69.8721 -83.1709 PRESSAVG: 1562600 -7.78335 -76.7017 -25.6523 -76.7017 49.526 -59.4683 -25.6524 -59.4683 -7.09336 GPRESSAVG: 1562600 -6.94817 -74.3828 -26.203 -76.8777 48.9058 -59.2849 -24.8917 -57.4446 -7.0785 TIMING: 1562600 CPU: 4538.18, 0.00288984/step Wall: 4538.18, 0.00288984/step, 2.75931 hours remaining, 205.878906 MB of memory in use. ENERGY: 1562600 702.2169 2105.5715 1965.2099 111.5661 -206082.9334 17846.4269 0.0000 0.0000 34200.6984 -149151.2438 298.6832 -183351.9422 -149057.8674 299.5319 92.4474 125.9099 557751.6321 11.5498 11.6264 PRESSURE: 1562800 -224.486 97.1101 -15.3046 97.1102 -186.931 85.4392 -15.3043 85.4394 -121.41 GPRESSURE: 1562800 -151.808 -15.9335 -53.2845 143.839 -173.365 109.975 6.70551 92.651 -117.804 PRESSAVG: 1562800 -9.99978 32.9041 27.4859 32.9042 26.5905 -12.5222 27.4858 -12.5222 -23.784 GPRESSAVG: 1562800 -9.65545 30.5803 25.2101 32.4123 26.3528 -13.7105 30.4427 -12.0777 -23.5739 TIMING: 1562800 CPU: 4538.77, 0.00291538/step Wall: 4538.77, 0.00291538/step, 2.78354 hours remaining, 205.878906 MB of memory in use. ENERGY: 1562800 738.8696 2108.3549 1963.2294 110.5720 -205704.0826 17416.4013 0.0000 0.0000 34122.2228 -149244.4326 297.9979 -183366.6554 -149137.1669 298.9212 -177.6093 -147.6590 557615.5471 -2.3977 -2.2922 PRESSURE: 1563000 -158.051 88.1445 -110.853 88.1446 -38.0175 -5.24145 -110.854 -5.2412 169.386 GPRESSURE: 1563000 -85.3801 106.355 -31.0056 110.253 -2.25248 -60.4287 -122.589 -72.763 158.528 PRESSAVG: 1563000 -32.2529 29.2342 14.8143 29.2343 55.971 6.08384 14.8142 6.08396 9.17666 GPRESSAVG: 1563000 -30.4856 30.4461 17.7067 30.3038 54.9613 8.33622 10.7494 5.90665 8.81132 TIMING: 1563000 CPU: 4539.35, 0.00291906/step Wall: 4539.35, 0.00291906/step, 2.7869 hours remaining, 205.878906 MB of memory in use. ENERGY: 1563000 734.6560 2072.3970 1968.3430 118.7313 -206077.5318 17658.5527 0.0000 0.0000 34170.5955 -149354.2562 298.4203 -183524.8517 -149253.8648 298.9407 -8.8942 23.6317 558333.3009 10.9649 11.0957 PRESSURE: 1563200 -113.515 -39.6521 -134.497 -39.6521 -154.927 64.3129 -134.498 64.3119 -282.208 GPRESSURE: 1563200 -85.6797 -0.479504 -137.106 -91.5226 -100.555 6.02821 -78.4838 83.6385 -252.688 PRESSAVG: 1563200 42.2216 -29.8121 53.4932 -29.812 -34.3104 -12.2864 53.4932 -12.2864 31.5659 GPRESSAVG: 1563200 40.4092 -29.25 53.0196 -29.8707 -32.5072 -15.0689 56.5587 -11.2189 31.8622 TIMING: 1563200 CPU: 4539.93, 0.00291822/step Wall: 4539.93, 0.00291822/step, 2.78593 hours remaining, 205.878906 MB of memory in use. ENERGY: 1563200 775.3609 2096.2301 1960.7116 115.4440 -206208.2903 17623.0795 0.0000 0.0000 34305.1238 -149332.3405 299.5952 -183637.4643 -149237.7093 298.8566 -183.5498 -146.3073 557674.4713 13.1591 13.2547 PRESSURE: 1563400 -341.542 -10.8823 46.3215 -10.882 -3.96376 -218.853 46.3208 -218.852 192.162 GPRESSURE: 1563400 -359.88 66.1302 77.4817 -105.161 23.1811 -288.604 73.1101 -209.546 261.821 PRESSAVG: 1563400 -14.0008 12.5998 0.278241 12.5997 -30.7172 -30.1663 0.278221 -30.1663 47.9378 GPRESSAVG: 1563400 -13.6476 10.3052 -0.628247 14.5598 -30.4844 -29.5757 -0.241125 -29.9014 47.5476 TIMING: 1563400 CPU: 4540.51, 0.00288741/step Wall: 4540.51, 0.00288741/step, 2.75635 hours remaining, 205.878906 MB of memory in use. ENERGY: 1563400 770.1541 2194.7091 1969.7460 119.1849 -206068.2381 17697.5507 0.0000 0.0000 34127.4441 -149189.4491 298.0435 -183316.8932 -149092.1565 299.2298 -51.1146 -24.9592 557450.3082 1.0733 1.1385 PRESSURE: 1563600 -127.566 60.7328 -56.9752 60.7322 90.3195 -69.4177 -56.9758 -69.419 -234.673 GPRESSURE: 1563600 -86.5895 -10.433 -68.9696 117.452 97.4492 -79.8451 -11.6601 -75.6478 -188.178 PRESSAVG: 1563600 18.5891 -0.674804 4.85111 -0.674838 12.6489 -11.6192 4.8511 -11.6193 5.20694 GPRESSAVG: 1563600 18.2334 -0.177475 5.59177 -2.62655 12.0885 -10.2786 4.29871 -13.4416 6.16835 TIMING: 1563600 CPU: 4541.08, 0.00286003/step Wall: 4541.08, 0.00286003/step, 2.73005 hours remaining, 205.878906 MB of memory in use. ENERGY: 1563600 797.3889 2128.5697 1954.8512 127.0894 -206382.4989 17822.8959 0.0000 0.0000 34315.8700 -149235.8336 299.6890 -183551.7037 -149147.4554 299.5130 -90.6396 -59.1063 557629.2343 12.1483 12.1634 PRESSURE: 1563800 -236.239 61.1624 -122.724 61.1622 63.0778 115.995 -122.724 115.995 45.3765 GPRESSURE: 1563800 -237.6 14.3322 -82.456 55.6943 74.7761 170.683 -150.054 38.8108 130.895 PRESSAVG: 1563800 -22.3355 -21.6927 7.33286 -21.6927 8.69899 19.1664 7.33286 19.1663 7.81499 GPRESSAVG: 1563800 -22.5842 -19.475 4.87431 -22.9799 8.85576 20.4204 9.54447 19.0461 8.129 TIMING: 1563800 CPU: 4541.66, 0.00291018/step Wall: 4541.66, 0.00291018/step, 2.77777 hours remaining, 205.878906 MB of memory in use. ENERGY: 1563800 740.7572 2164.4172 1981.3743 101.4911 -206230.6534 17808.8973 0.0000 0.0000 34304.6451 -149129.0713 299.5910 -183433.7165 -149032.8712 299.7368 -42.5950 -10.6429 557662.5526 -1.9405 -1.8665 PRESSURE: 1564000 -172.402 -225.765 -147.397 -225.765 -38.032 124.347 -147.396 124.345 -77.9004 GPRESSURE: 1564000 -119.295 -244.568 -140.394 -184.798 -50.7154 142.728 -166.1 128.25 -26.1611 PRESSAVG: 1564000 -87.436 5.72232 1.48629 5.72239 42.0429 33.7757 1.48641 33.7757 31.3315 GPRESSAVG: 1564000 -88.2413 5.13136 4.54417 6.72529 42.4908 34.5528 -1.65784 33.0891 31.9688 TIMING: 1564000 CPU: 4542.24, 0.00289675/step Wall: 4542.24, 0.00289675/step, 2.76478 hours remaining, 205.878906 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: 1564000 723.8923 2121.3641 1967.8474 114.3701 -205862.3575 17613.9654 0.0000 0.0000 34189.4157 -149131.5024 298.5847 -183320.9181 -149035.1174 299.3551 -96.1113 -65.3904 557365.4174 -4.6872 -4.5939 PRESSURE: 1564200 -169.505 -16.2868 96.2962 -16.2871 -45.7556 26.9184 96.2975 26.9181 124.727 GPRESSURE: 1564200 -122.351 22.1077 109.576 -116.852 -26.4611 -56.0152 146.847 124.125 150.576 PRESSAVG: 1564200 -77.7396 -2.14003 38.1493 -2.14008 51.2533 15.0465 38.1495 15.0464 82.9493 GPRESSAVG: 1564200 -77.2176 -3.04834 37.6879 -3.01795 50.7818 14.2472 38.6695 16.3589 83.311 TIMING: 1564200 CPU: 4542.82, 0.00290407/step Wall: 4542.82, 0.00290407/step, 2.77162 hours remaining, 205.878906 MB of memory in use. ENERGY: 1564200 749.0486 2082.8735 1972.2617 122.5050 -206304.3342 17831.7640 0.0000 0.0000 34371.5730 -149174.3083 300.1755 -183545.8813 -149081.2374 299.4694 -30.1778 0.5880 558097.3091 18.8210 18.9584 LDB: ============= START OF LOAD BALANCING ============== 4546.29 LDB: ============== END OF LOAD BALANCING =============== 4546.29 LDB: =============== DONE WITH MIGRATION ================ 4546.29 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 4546.58 LDB: Largest compute 4821 load 0.030037 is 25.5% of average load 0.117684 LDB: Average compute 0.001714 is 1.5% of average load 0.117684 LDB: TIME 4546.59 LOAD: AVG 0.117684 MAX 0.17636 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.75 MB LDB: TIME 4546.59 LOAD: AVG 0.117684 MAX 0.17636 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: TIME 4546.59 LOAD: AVG 0.117684 MAX 0.17636 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4546.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4546.59 PRESSURE: 1564400 -22.2036 -60.0492 122.472 -60.0501 107.158 -15.3258 122.472 -15.3255 45.6603 GPRESSURE: 1564400 50.6814 -65.2133 152.985 -15.9331 126.144 59.2446 88.4621 -115.733 38.407 PRESSAVG: 1564400 7.01874 -2.55038 54.7572 -2.55037 -12.5626 4.04889 54.7571 4.04888 -6.36935 GPRESSAVG: 1564400 7.14524 -1.97876 53.8705 -1.55602 -13.2857 2.28971 55.2075 3.04661 -6.28159 TIMING: 1564400 CPU: 4543.42, 0.00296412/step Wall: 4543.42, 0.00296412/step, 2.82876 hours remaining, 204.593750 MB of memory in use. ENERGY: 1564400 752.7216 2122.9976 1977.2357 117.7820 -205953.5562 17878.8741 0.0000 0.0000 34008.9185 -149095.0266 297.0083 -183103.9451 -149006.2135 299.4535 43.5383 71.7440 559361.3230 -3.9711 -4.1407 PRESSURE: 1564600 -8.88627 -57.7904 -118.453 -57.7909 -81.6163 133.057 -118.451 133.056 84.3454 GPRESSURE: 1564600 -1.57755 -42.5798 -118.514 22.0821 -35.1696 121.463 -79.074 92.3291 129.183 PRESSAVG: 1564600 -47.5009 -53.6404 18.4026 -53.6404 5.91126 -9.03654 18.4026 -9.03659 21.4716 GPRESSAVG: 1564600 -47.8561 -53.6719 18.7612 -54.0329 7.89881 -6.84606 19.5812 -9.59507 20.2574 TIMING: 1564600 CPU: 4544, 0.00291356/step Wall: 4544, 0.00291356/step, 2.78035 hours remaining, 204.894531 MB of memory in use. ENERGY: 1564600 782.7284 2094.2118 1972.7268 126.3358 -206252.8951 17881.6562 0.0000 0.0000 34315.2248 -149080.0113 299.6834 -183395.2361 -148990.3716 299.1375 -2.0524 30.8118 555875.3982 -6.7060 -6.5666 PRESSURE: 1564800 157.464 -1.65537 -123.697 -1.65547 -280.719 -49.8296 -123.697 -49.8293 -245.519 GPRESSURE: 1564800 149.465 -35.3496 -113.197 59.1445 -231.003 -49.527 -141.712 26.9475 -202.314 PRESSAVG: 1564800 -25.1386 -4.53763 27.6333 -4.53772 -7.47728 -44.3383 27.6332 -44.3383 -4.11276 GPRESSAVG: 1564800 -26.2413 -4.58728 26.7619 -5.01799 -8.81945 -45.0866 26.5191 -43.6164 -2.33846 TIMING: 1564800 CPU: 4544.58, 0.0028981/step Wall: 4544.58, 0.0028981/step, 2.76543 hours remaining, 204.960938 MB of memory in use. ENERGY: 1564800 739.7324 2071.4979 1979.5800 114.5165 -206040.3040 17658.8300 0.0000 0.0000 34291.3332 -149184.8140 299.4747 -183476.1472 -149085.1836 299.0285 -122.9245 -94.6175 556945.7020 -12.2429 -12.4664 PRESSURE: 1565000 55.5672 -137.985 -72.3878 -137.985 128.428 -102.322 -72.3886 -102.322 74.3315 GPRESSURE: 1565000 108.034 -146.758 -12.9591 -102.443 172.99 -92.8668 -55.7519 -130.304 78.3986 PRESSAVG: 1565000 -25.1153 9.43307 3.77404 9.43323 29.7096 -45.1714 3.77412 -45.1715 -22.0888 GPRESSAVG: 1565000 -24.6431 9.60665 4.59782 8.97579 30.3195 -46.883 4.38947 -43.5978 -23.3352 TIMING: 1565000 CPU: 4545.16, 0.00292116/step Wall: 4545.16, 0.00292115/step, 2.78727 hours remaining, 204.960938 MB of memory in use. ENERGY: 1565000 741.4069 2100.1150 1996.8764 118.1937 -206304.8755 17961.4299 0.0000 0.0000 34114.4762 -149272.3774 297.9302 -183386.8536 -149180.2970 298.5993 86.1090 119.8078 556258.2670 -5.8315 -5.8863 PRESSURE: 1565200 65.7358 -147.373 -1.90951 -147.373 53.859 -48.649 -1.90912 -48.6509 151.694 GPRESSURE: 1565200 7.15525 -220.564 -24.773 -88.8766 123.091 -28.0365 -18.5413 -47.2342 225.506 PRESSAVG: 1565200 62.8514 -32.8318 -14.8665 -32.8318 -24.984 -34.2006 -14.8664 -34.2006 11.6617 GPRESSAVG: 1565200 62.818 -32.4913 -15.4193 -31.6524 -24.2622 -32.4203 -15.3298 -36.5808 11.2178 TIMING: 1565200 CPU: 4545.74, 0.00289629/step Wall: 4545.74, 0.00289629/step, 2.76338 hours remaining, 204.960938 MB of memory in use. ENERGY: 1565200 775.9459 2098.1672 1950.6825 123.1797 -206550.9555 18053.7093 0.0000 0.0000 34249.4630 -149299.8079 299.1091 -183549.2708 -149210.2488 298.3131 90.4296 118.5843 556616.0100 16.5097 16.5912 PRESSURE: 1565400 -27.122 20.9021 76.1612 20.9023 -269.325 -63.2178 76.1599 -63.2175 -183.369 GPRESSURE: 1565400 5.74717 51.8405 154.642 20.1813 -232.604 -12.1712 90.6602 -47.8932 -162.807 PRESSAVG: 1565400 38.3575 -40.9371 39.1669 -40.9372 -22.0412 0.071249 39.1669 0.0714287 -5.55999 GPRESSAVG: 1565400 38.9596 -41.4413 40.2161 -40.2883 -23.3303 -3.36061 39.2231 0.812007 -4.58911 TIMING: 1565400 CPU: 4546.32, 0.0029043/step Wall: 4546.32, 0.0029043/step, 2.77086 hours remaining, 204.960938 MB of memory in use. ENERGY: 1565400 728.8280 2081.9983 1960.6553 123.8290 -205797.9485 17595.6424 0.0000 0.0000 33893.9147 -149413.0806 296.0040 -183306.9954 -149321.8116 299.0094 -159.9387 -129.8882 557893.2420 3.5854 3.6801 PRESSURE: 1565600 -145.228 6.4176 110.434 6.41797 -306.253 -41.7157 110.436 -41.7174 -111.884 GPRESSURE: 1565600 -151.834 47.459 145.907 5.39828 -204.991 -25.4951 112.75 -79.2764 -98.7172 PRESSAVG: 1565600 -37.02 14.849 -22.5325 14.8491 87.3712 -23.0976 -22.5326 -23.0976 -29.6743 GPRESSAVG: 1565600 -36.5467 16.3234 -22.4863 12.6421 87.7853 -22.0869 -21.6621 -21.9054 -30.7622 TIMING: 1565600 CPU: 4546.9, 0.00289566/step Wall: 4546.9, 0.00289566/step, 2.76246 hours remaining, 204.960938 MB of memory in use. ENERGY: 1565600 784.2527 2067.1009 1974.2861 102.1718 -205923.1778 17685.5247 0.0000 0.0000 34206.8527 -149102.9888 298.7370 -183309.8415 -149005.6210 298.8695 -187.7886 -151.8475 559066.4544 6.8923 6.8255 PRESSURE: 1565800 -61.515 208.618 -72.7782 208.619 -156.543 100.888 -72.7766 100.888 -38.0076 GPRESSURE: 1565800 8.66972 288.472 -135.988 211.192 -140.295 166.453 -50.0605 115.216 -38.4978 PRESSAVG: 1565800 12.5262 11.286 45.9763 11.286 -2.97712 -1.34005 45.9764 -1.34007 -3.45667 GPRESSAVG: 1565800 12.2153 11.3019 44.6431 12.0209 -3.38534 -0.109374 45.5308 -1.22566 -2.13457 TIMING: 1565800 CPU: 4547.48, 0.00290366/step Wall: 4547.48, 0.00290366/step, 2.76993 hours remaining, 204.960938 MB of memory in use. ENERGY: 1565800 763.6179 2075.5436 1972.6465 127.7570 -206152.6150 17807.1208 0.0000 0.0000 34235.4321 -149170.4971 298.9865 -183405.9292 -149071.2263 299.0373 -85.3552 -56.7077 558885.5699 2.0308 2.2318 PRESSURE: 1566000 146.993 -98.9067 281.958 -98.9064 -20.8795 -68.9654 281.958 -68.9659 24.7147 GPRESSURE: 1566000 214.096 -68.4428 234.164 -80.4544 20.9739 -123.311 348.884 -23.5142 7.89568 PRESSAVG: 1566000 22.817 41.2185 -5.60666 41.2185 50.8676 7.66283 -5.60657 7.66275 -73.8917 GPRESSAVG: 1566000 23.8446 40.2392 -4.37651 41.7438 51.6239 6.92285 -6.72142 6.26726 -75.5811 TIMING: 1566000 CPU: 4548.06, 0.00288514/step Wall: 4548.06, 0.00288514/step, 2.75211 hours remaining, 204.960938 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: 1566000 762.5333 2133.4330 1987.6269 122.2200 -206437.8906 18062.7696 0.0000 0.0000 34219.5302 -149149.7776 298.8477 -183369.3078 -149047.1882 299.3852 50.2760 80.9885 558993.6263 -0.0691 -0.0375 PRESSURE: 1566200 -67.285 45.1545 150.937 45.1547 -178.327 -45.4081 150.936 -45.4054 171.787 GPRESSURE: 1566200 40.6475 67.0179 97.6636 33.735 -141.164 -135.111 197.566 -5.49889 123.502 PRESSAVG: 1566200 -28.9916 -3.20737 50.3766 -3.20743 -12.2838 8.13101 50.3768 8.13102 30.0947 GPRESSAVG: 1566200 -29.7872 -1.9768 50.1955 -4.98043 -11.8456 8.42871 50.7989 8.0003 30.652 TIMING: 1566200 CPU: 4548.64, 0.00288164/step Wall: 4548.64, 0.00288164/step, 2.7486 hours remaining, 204.960938 MB of memory in use. ENERGY: 1566200 754.4582 2132.8233 1977.9976 111.2751 -206125.1688 17805.3327 0.0000 0.0000 34304.3114 -149038.9706 299.5881 -183343.2820 -148942.0903 299.2561 -24.6086 7.6616 557908.1855 -3.7269 -3.6603 PRESSURE: 1566400 171.284 66.9853 33.8626 66.9868 110.153 34.9729 33.8627 34.973 62.1711 GPRESSURE: 1566400 169.316 58.9743 -18.15 47.1913 178 -29.6713 38.9065 34.2228 98.2075 PRESSAVG: 1566400 14.5771 -29.3732 20.3841 -29.3732 46.8114 27.4811 20.3841 27.4811 -31.5649 GPRESSAVG: 1566400 14.1846 -29.9518 22.9342 -28.2851 47.2868 29.2534 20.0188 26.3105 -31.5193 TIMING: 1566400 CPU: 4549.21, 0.00288306/step Wall: 4549.21, 0.00288306/step, 2.7498 hours remaining, 204.960938 MB of memory in use. ENERGY: 1566400 770.5915 2070.0509 1989.9406 106.0697 -206617.6831 18110.8565 0.0000 0.0000 34503.0686 -149067.1053 301.3239 -183570.1739 -148976.2235 299.7970 114.5360 148.5077 557970.0164 9.9412 9.9840 PRESSURE: 1566600 72.0806 158.526 66.5866 158.527 -228.896 -87.3835 66.5871 -87.3815 90.8211 GPRESSURE: 1566600 83.8174 87.4041 -0.432247 212.113 -146.995 -69.3036 26.8324 -143.694 88.8652 PRESSAVG: 1566600 4.4965 40.6611 22.1844 40.661 31.6594 -7.25762 22.1844 -7.25753 -12.9785 GPRESSAVG: 1566600 3.60768 39.4711 20.3681 40.7803 31.8108 -7.45229 20.2474 -7.88304 -12.2496 TIMING: 1566600 CPU: 4549.79, 0.00289142/step Wall: 4549.79, 0.00289142/step, 2.75761 hours remaining, 204.960938 MB of memory in use. ENERGY: 1566600 744.1696 2096.1247 1993.5051 118.8172 -206248.0147 17743.0638 0.0000 0.0000 34337.4069 -149214.9274 299.8771 -183552.3343 -149121.6148 299.4143 -21.9982 8.5627 556210.9209 7.7258 7.7229 PRESSURE: 1566800 69.7913 -61.5696 48.216 -61.5704 -36.8601 -159.591 48.2159 -159.591 -146.573 GPRESSURE: 1566800 148.199 -63.1179 88.1436 -129.895 -17.2064 -213.853 35.4356 -109.788 -133.911 PRESSAVG: 1566800 16.081 -9.74663 2.13635 -9.74668 5.59003 27.47 2.13633 27.4699 -20.7277 GPRESSAVG: 1566800 17.7611 -9.68962 3.95881 -8.16243 4.26843 26.3051 4.78878 29.648 -20.918 TIMING: 1566800 CPU: 4550.37, 0.00288992/step Wall: 4550.37, 0.00288992/step, 2.75602 hours remaining, 204.960938 MB of memory in use. ENERGY: 1566800 762.6526 2094.5551 1944.3719 108.3585 -206073.5600 17754.8766 0.0000 0.0000 34291.1029 -149117.6423 299.4727 -183408.7452 -149018.4739 299.0657 -37.8805 -0.9727 556731.7784 0.3144 0.3705 PRESSURE: 1567000 55.0498 16.7077 187.924 16.7072 -225.41 17.3118 187.925 17.3116 -102.75 GPRESSURE: 1567000 17.5935 26.1699 112.716 9.25356 -161.042 -9.35197 226.378 -47.5593 -37.3465 PRESSAVG: 1567000 55.7271 -30.1413 87.2814 -30.1413 59.8628 -30.253 87.2814 -30.253 -34.9943 GPRESSAVG: 1567000 55.1614 -28.2332 83.9401 -32.3694 60.4816 -30.3887 87.9606 -31.232 -35.2695 TIMING: 1567000 CPU: 4550.95, 0.00287719/step Wall: 4550.95, 0.00287719/step, 2.74372 hours remaining, 204.960938 MB of memory in use. ENERGY: 1567000 765.2856 2118.5310 1964.3619 109.6228 -206110.6788 17662.4716 0.0000 0.0000 34278.7435 -149211.6624 299.3648 -183490.4059 -149118.0893 299.3853 -91.0369 -60.2650 555030.2088 26.8652 26.7912 PRESSURE: 1567200 -55.7652 113.227 -89.6046 113.227 -22.0603 119.45 -89.6046 119.45 70.9148 GPRESSURE: 1567200 -23.4394 133.869 -115.164 72.4613 -12.956 120.676 -112.653 20.4104 136.73 PRESSAVG: 1567200 -9.48946 20.3736 16.7946 20.3736 -10.5099 21.3149 16.7945 21.3149 -21.4863 GPRESSAVG: 1567200 -10.4267 20.9992 17.8569 19.5243 -10.8892 19.3632 17.4218 22.4264 -19.9939 TIMING: 1567200 CPU: 4551.52, 0.00288107/step Wall: 4551.52, 0.00288107/step, 2.74727 hours remaining, 204.960938 MB of memory in use. ENERGY: 1567200 741.2119 2119.7842 1978.5130 118.0821 -205909.4640 17668.7089 0.0000 0.0000 34166.5123 -149116.6517 298.3846 -183283.1640 -149011.0548 298.9959 -2.3036 33.4449 558261.8584 -13.8286 -13.7699 PRESSURE: 1567400 -255.424 215.663 231.259 215.663 148.981 -109.406 231.258 -109.404 44.3905 GPRESSURE: 1567400 -234.631 229.015 198.273 243.8 199.96 -189.956 216.646 -116.914 88.8692 PRESSAVG: 1567400 31.3503 17.9898 4.31431 17.9897 -10.4449 -45.0446 4.31441 -45.0446 -6.7385 GPRESSAVG: 1567400 33.5701 18.014 4.20157 20.8286 -10.4094 -43.6313 3.75409 -44.9734 -9.08161 TIMING: 1567400 CPU: 4552.11, 0.00291875/step Wall: 4552.11, 0.00291875/step, 2.78303 hours remaining, 204.960938 MB of memory in use. ENERGY: 1567400 741.8776 2090.4021 1971.5626 113.7273 -205994.0395 17761.5231 0.0000 0.0000 34105.0438 -149209.9030 297.8478 -183314.9468 -149124.2407 298.7889 -20.6839 18.0660 558232.7394 4.7223 4.6930 PRESSURE: 1567600 16.3152 183.854 -6.08759 183.854 221.73 1.77801 -6.08751 1.7802 -161.189 GPRESSURE: 1567600 32.6582 121.485 -3.91745 245.802 249.821 -83.2487 -14.2562 51.4094 -103.388 PRESSAVG: 1567600 -16.7031 57.7569 -40.8018 57.757 57.4592 13.9982 -40.8018 13.9982 -22.828 GPRESSAVG: 1567600 -17.55 57.0531 -38.6443 56.5908 56.539 15.587 -42.3237 12.919 -21.0236 TIMING: 1567600 CPU: 4552.68, 0.00289327/step Wall: 4552.68, 0.00289327/step, 2.75858 hours remaining, 204.960938 MB of memory in use. ENERGY: 1567600 759.8308 2071.0235 1968.8343 115.5585 -206200.5039 17855.2908 0.0000 0.0000 34254.3463 -149175.6198 299.1517 -183429.9661 -149089.8631 299.0828 25.6190 59.6972 556034.1136 5.9760 5.9885 PRESSURE: 1567800 -114.671 81.0193 65.3231 81.0196 -192.477 42.9702 65.3218 42.9717 -99.4311 GPRESSURE: 1567800 -50.8894 50.8093 19.9182 101.514 -134.865 51.6718 34.4699 35.8976 -131.859 PRESSAVG: 1567800 -91.1851 -4.32631 -9.4849 -4.32626 94.2865 58.9963 -9.48488 58.9963 -67.2223 GPRESSAVG: 1567800 -91.1021 -6.02974 -12.9287 -4.43408 94.8931 56.2284 -5.5413 58.7248 -67.8492 TIMING: 1567800 CPU: 4553.26, 0.00289321/step Wall: 4553.26, 0.00289321/step, 2.75835 hours remaining, 204.960938 MB of memory in use. ENERGY: 1567800 799.4769 2097.2086 1988.7699 104.9581 -205756.3275 17530.0414 0.0000 0.0000 34145.1024 -149090.7702 298.1977 -183235.8727 -148996.4906 299.1135 -135.5264 -105.8714 557756.3543 -21.3736 -21.3528 PRESSURE: 1568000 -84.7535 -5.04028 -56.879 -5.03977 154.853 1.59279 -56.8795 1.59112 184.133 GPRESSURE: 1568000 10.2512 70.9483 -53.9965 -102.838 163.386 90.3729 0.868846 -39.5351 176.772 PRESSAVG: 1568000 -13.9367 22.4142 26.9109 22.4143 96.3685 -20.9004 26.9109 -20.9005 -76.3587 GPRESSAVG: 1568000 -13.7784 24.3043 29.7219 23.8734 96.5711 -20.3345 25.9545 -19.6647 -76.78 TIMING: 1568000 CPU: 4553.84, 0.00290452/step Wall: 4553.84, 0.00290452/step, 2.76897 hours remaining, 204.960938 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: 1568000 756.4429 2092.3237 1973.6783 124.1351 -206424.5798 18054.3859 0.0000 0.0000 34402.2517 -149021.3623 300.4434 -183423.6140 -148921.4661 299.5765 84.7443 116.8030 556522.4078 2.0244 2.0042 PRESSURE: 1568200 135.587 191.697 -2.67827 191.697 203.936 45.5058 -2.67757 45.5061 15.3814 GPRESSURE: 1568200 141.402 103.544 -11.6323 240.431 260.962 -16.5436 -49.6871 72.1602 52.762 PRESSAVG: 1568200 -15.2772 43.214 -61.0782 43.214 54.6423 -20.0176 -61.0782 -20.0175 -54.1476 GPRESSAVG: 1568200 -16.7784 41.9344 -60.3687 43.5816 55.6328 -19.6093 -63.0008 -21.453 -53.7619 TIMING: 1568200 CPU: 4554.42, 0.00289151/step Wall: 4554.42, 0.00289151/step, 2.75641 hours remaining, 204.960938 MB of memory in use. ENERGY: 1568200 780.7896 2072.7947 1975.5220 124.5284 -206447.2136 18220.1958 0.0000 0.0000 34312.1147 -148961.2685 299.6562 -183273.3832 -148867.1394 299.5483 118.3014 151.7085 557634.8714 -4.9275 -4.9692 LDB: ============= START OF LOAD BALANCING ============== 4557.89 LDB: ============== END OF LOAD BALANCING =============== 4557.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4557.89 LDB: ============= START OF LOAD BALANCING ============== 4558.18 LDB: Largest compute 4821 load 0.028857 is 24.5% of average load 0.117639 LDB: Average compute 0.001714 is 1.5% of average load 0.117639 LDB: TIME 4558.18 LOAD: AVG 0.117639 MAX 0.178754 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.758 MB LDB: TIME 4558.18 LOAD: AVG 0.117639 MAX 0.178754 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.781 MB LDB: TIME 4558.18 LOAD: AVG 0.117639 MAX 0.178754 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.781 MB LDB: ============== END OF LOAD BALANCING =============== 4558.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4558.19 PRESSURE: 1568400 107.041 187.724 201.306 187.723 93.1236 20.9359 201.305 20.9366 -84.025 GPRESSURE: 1568400 125.687 206.933 202.115 166.08 166.971 11.7383 123.089 -5.16548 -94.8662 PRESSAVG: 1568400 -10.403 2.68471 -0.21567 2.68468 63.9333 -30.0404 -0.21567 -30.0406 -72.6468 GPRESSAVG: 1568400 -10.4347 5.12835 -1.37311 0.974086 63.2303 -31.5373 0.306411 -27.8282 -72.1981 TIMING: 1568400 CPU: 4555.01, 0.00295208/step Wall: 4555.01, 0.00295208/step, 2.81399 hours remaining, 204.136719 MB of memory in use. ENERGY: 1568400 751.1978 2125.2051 1975.3919 111.3306 -206391.4434 17965.6397 0.0000 0.0000 34380.7161 -149081.9622 300.2553 -183462.6783 -148983.8445 300.4193 38.7130 65.9306 556591.7277 -6.3722 -6.4675 PRESSURE: 1568600 205.123 105.767 -55.1486 105.766 -143.212 153.291 -55.1476 153.291 -249.786 GPRESSURE: 1568600 237.796 163.473 -54.1585 81.04 -111.053 188.285 93.9916 92.0861 -219.896 PRESSAVG: 1568600 -63.5825 -18.4567 35.2584 -18.4565 82.845 -33.2836 35.2584 -33.2835 -15.5952 GPRESSAVG: 1568600 -63.5848 -19.9381 34.5956 -19.614 83.0625 -32.7122 35.7525 -33.4938 -15.7742 TIMING: 1568600 CPU: 4555.59, 0.00289644/step Wall: 4555.59, 0.00289644/step, 2.76079 hours remaining, 204.339844 MB of memory in use. ENERGY: 1568600 771.6321 2069.6757 1999.8029 120.9380 -205930.4000 17671.8672 0.0000 0.0000 34143.7384 -149152.7457 298.1858 -183296.4841 -149064.1027 299.9796 -62.6251 -31.0509 557191.6048 1.2224 1.2345 PRESSURE: 1568800 46.2714 -145.301 19.7979 -145.301 -97.2132 -166.817 19.7988 -166.816 66.724 GPRESSURE: 1568800 62.5204 -150.837 13.4389 -128.861 4.72399 -189.786 22.5137 -114.86 58.8596 PRESSAVG: 1568800 -79.7294 -51.9458 5.7574 -51.9458 93.4266 -16.651 5.75735 -16.6509 24.3762 GPRESSAVG: 1568800 -79.6816 -52.9144 4.80835 -51.6675 93.477 -15.2402 5.83863 -17.8736 23.9445 TIMING: 1568800 CPU: 4556.17, 0.00289448/step Wall: 4556.17, 0.00289448/step, 2.75876 hours remaining, 204.339844 MB of memory in use. ENERGY: 1568800 759.1053 2119.8634 1964.4893 121.2222 -206577.1619 17987.1770 0.0000 0.0000 34382.7585 -149242.5463 300.2732 -183625.3048 -149151.0278 299.5195 5.2607 42.0347 556281.1113 12.6912 12.5799 PRESSURE: 1569000 -99.2936 50.592 -87.0934 50.5926 27.4875 -65.5345 -87.093 -65.5328 -296.28 GPRESSURE: 1569000 -24.9295 24.7731 -16.3798 4.94817 62.3784 -45.9732 -80.8577 -108.258 -311.365 PRESSAVG: 1569000 -3.7332 -13.3024 14.5097 -13.3024 40.3631 -25.5457 14.5097 -25.5457 -11.2526 GPRESSAVG: 1569000 -3.86029 -14.1708 16.7857 -13.2125 40.2017 -24.2165 13.2362 -24.9494 -11.1712 TIMING: 1569000 CPU: 4556.75, 0.00291603/step Wall: 4556.75, 0.00291603/step, 2.77913 hours remaining, 204.449219 MB of memory in use. ENERGY: 1569000 742.2389 2119.9445 1954.5227 116.9919 -206104.2866 17617.8585 0.0000 0.0000 34309.7658 -149242.9643 299.6357 -183552.7301 -149146.6566 299.0954 -122.6954 -91.3052 558967.6011 8.4591 8.3901 PRESSURE: 1569200 -119.21 -3.0995 77.2867 -3.09989 -139.921 261.286 77.2854 261.285 -167.138 GPRESSURE: 1569200 -105.073 -32.3683 58.639 42.6381 -57.8792 291.376 40.0854 251.967 -173.159 PRESSAVG: 1569200 -21.788 7.37214 -22.2571 7.37208 23.2174 28.4173 -22.2571 28.4172 -11.9968 GPRESSAVG: 1569200 -22.0414 8.27385 -22.1315 8.7822 23.7413 27.004 -22.5188 30.5883 -12.3419 TIMING: 1569200 CPU: 4557.33, 0.00289821/step Wall: 4557.33, 0.00289821/step, 2.76199 hours remaining, 204.449219 MB of memory in use. ENERGY: 1569200 769.6571 2101.5999 1972.1246 129.3313 -206141.7010 17793.4052 0.0000 0.0000 34183.7148 -149191.8680 298.5349 -183375.5828 -149094.6324 298.9827 -142.0897 -112.0371 558505.4070 -3.5224 -3.5474 PRESSURE: 1569400 -279.451 -51.9679 -118.343 -51.9685 -2.87377 -49.6346 -118.342 -49.6341 31.0813 GPRESSURE: 1569400 -199.089 17.3761 -164.078 -76.9074 -26.2925 -53.5045 -118.787 -12.3516 64.1391 PRESSAVG: 1569400 16.7765 34.1819 28.298 34.182 -10.294 26.0416 28.298 26.0416 -5.79208 GPRESSAVG: 1569400 17.7387 33.2212 29.1548 33.2268 -10.9826 26.0464 26.8133 23.6134 -6.49 TIMING: 1569400 CPU: 4557.91, 0.00288339/step Wall: 4557.91, 0.00288339/step, 2.74771 hours remaining, 204.449219 MB of memory in use. ENERGY: 1569400 786.0251 2083.9577 1967.3564 108.8017 -205876.4047 17751.2515 0.0000 0.0000 34149.5768 -149029.4354 298.2367 -183179.0122 -148935.7132 298.8644 -83.7480 -53.7476 558688.2504 0.2301 0.0887 PRESSURE: 1569600 107.741 -22.2224 232.336 -22.2222 -119.169 -63.9532 232.336 -63.9508 122.999 GPRESSURE: 1569600 109.785 -93.2598 163.966 -43.0291 -65.4361 -73.2687 158.88 -35.1143 160.074 PRESSAVG: 1569600 29.0861 0.124083 13.1691 0.123997 -34.0507 38.1867 13.1691 38.1867 16.9697 GPRESSAVG: 1569600 29.4905 -0.577933 11.7213 2.5262 -34.904 38.2959 15.5722 39.2399 17.1575 TIMING: 1569600 CPU: 4558.49, 0.00291134/step Wall: 4558.49, 0.00291134/step, 2.77418 hours remaining, 204.449219 MB of memory in use. ENERGY: 1569600 771.7304 2103.2734 1983.3490 115.1197 -206341.0950 18146.7192 0.0000 0.0000 34223.9035 -148996.9999 298.8859 -183220.9034 -148901.8018 299.9921 37.1901 68.1409 559241.3236 4.0017 3.9146 PRESSURE: 1569800 21.0056 109.322 123.386 109.323 -207.723 -8.92579 123.386 -8.92549 86.842 GPRESSURE: 1569800 54.887 118.718 122.905 155.72 -109.189 -19.741 79.7636 62.536 66.9346 PRESSAVG: 1569800 36.1642 50.2525 -7.9514 50.2526 -68.8859 28.5376 -7.95146 28.5375 9.54773 GPRESSAVG: 1569800 35.861 51.4646 -9.72293 47.1967 -68.854 26.2086 -8.80102 29.6464 10.3459 TIMING: 1569800 CPU: 4559.07, 0.00288695/step Wall: 4559.07, 0.00288695/step, 2.75078 hours remaining, 204.449219 MB of memory in use. ENERGY: 1569800 757.4398 2070.1637 1951.6928 112.0034 -206201.6291 17955.4217 0.0000 0.0000 34231.4857 -149123.4220 298.9521 -183354.9077 -149020.9035 299.4472 -33.2917 4.2108 558967.5964 -7.7247 -7.5490 PRESSURE: 1570000 -380.174 -77.7216 -91.7881 -77.7199 -341.478 2.81165 -91.7885 2.81246 -103.676 GPRESSURE: 1570000 -356.328 -157.693 -76.7839 -16.8141 -257.463 63.4799 -36.1285 -18.4863 -119.805 PRESSAVG: 1570000 -59.7801 12.7327 -20.3129 12.7328 -16.2475 -24.1243 -20.3129 -24.1243 44.1921 GPRESSAVG: 1570000 -60.7345 14.6851 -19.5364 12.9204 -14.7621 -20.446 -19.265 -25.3311 43.6141 TIMING: 1570000 CPU: 4559.65, 0.00288501/step Wall: 4559.65, 0.00288501/step, 2.74878 hours remaining, 204.449219 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: 1570000 739.1871 2097.5398 1936.7656 125.5035 -205750.4339 17438.1858 0.0000 0.0000 34176.5961 -149236.6561 298.4727 -183413.2522 -149140.6215 299.0629 -275.1091 -244.5319 558973.0665 -10.6118 -10.6275 PRESSURE: 1570200 -114.172 -98.257 5.71881 -98.2566 117.265 -66.2419 5.71889 -66.2418 -73.4094 GPRESSURE: 1570200 -55.537 11.4518 26.5756 -213.918 135.894 12.3885 26.2095 -103.7 -76.2758 PRESSAVG: 1570200 14.3726 -6.05083 26.1504 -6.05074 21.7661 -9.83388 26.1503 -9.83382 -35.7605 GPRESSAVG: 1570200 14.8435 -6.49109 26.54 -5.8889 20.1859 -11.2434 24.0939 -8.01048 -34.4265 TIMING: 1570200 CPU: 4560.23, 0.00289284/step Wall: 4560.23, 0.00289284/step, 2.75607 hours remaining, 204.449219 MB of memory in use. ENERGY: 1570200 738.9988 2048.8366 1960.1029 121.8069 -206376.0896 17947.5167 0.0000 0.0000 34053.4493 -149505.3784 297.3972 -183558.8277 -149407.1178 298.8061 -23.4386 1.3605 557526.1632 0.1261 0.2010 PRESSURE: 1570400 -23.5184 -39.8297 114.121 -39.8296 39.4613 -105.678 114.121 -105.678 -193.393 GPRESSURE: 1570400 32.5278 -16.524 103.169 -69.5338 38.3144 -48.354 83.9544 -116.289 -154.684 PRESSAVG: 1570400 21.0357 31.5773 0.37976 31.5772 81.5485 -50.0476 0.379857 -50.0476 -58.294 GPRESSAVG: 1570400 21.1001 31.5646 1.83909 33.0836 82.4323 -50.053 0.35461 -51.1741 -59.3997 TIMING: 1570400 CPU: 4560.8, 0.00287933/step Wall: 4560.8, 0.00287933/step, 2.74304 hours remaining, 204.449219 MB of memory in use. ENERGY: 1570400 747.1267 2038.2030 1938.8083 106.8631 -206848.8495 18021.8862 0.0000 0.0000 34480.0108 -149515.9514 301.1225 -183995.9621 -149410.7394 298.6164 -59.1502 -27.9472 557825.2882 14.7634 14.7109 PRESSURE: 1570600 226.745 94.1221 16.5732 94.123 43.2423 6.00028 16.5727 6.00325 -49.8138 GPRESSURE: 1570600 283.974 23.5897 86.4382 33.6698 42.5925 63.4849 -26.4082 -13.106 1.66512 PRESSAVG: 1570600 10.2818 -5.80514 -54.2072 -5.80511 62.7062 -37.4481 -54.2071 -37.4482 -74.2429 GPRESSAVG: 1570600 9.96618 -7.43619 -56.1252 -3.78674 63.1538 -37.8418 -53.3674 -37.4055 -73.7337 TIMING: 1570600 CPU: 4561.38, 0.00290589/step Wall: 4561.38, 0.00290589/step, 2.76818 hours remaining, 204.449219 MB of memory in use. ENERGY: 1570600 753.7263 2045.6814 1982.0550 117.1203 -206506.7394 18001.7677 0.0000 0.0000 34131.3242 -149475.0644 298.0773 -183606.3886 -149377.3266 298.8738 73.3913 109.4106 557933.3598 -0.4183 -0.2046 PRESSURE: 1570800 -88.573 46.9543 99.2597 46.9539 -172.332 -214.137 99.2594 -214.138 -109.888 GPRESSURE: 1570800 -23.2757 20.9274 54.0942 80.1662 -116.856 -169.766 87.1137 -281.939 -126.622 PRESSAVG: 1570800 65.8108 -33.2052 -29.9748 -33.2051 -74.8973 -51.5375 -29.9748 -51.5374 -17.3122 GPRESSAVG: 1570800 67.5168 -32.2255 -30.8104 -35.2559 -75.0342 -52.1479 -28.4068 -51.0636 -18.9934 TIMING: 1570800 CPU: 4561.96, 0.00289091/step Wall: 4561.96, 0.00289091/step, 2.75375 hours remaining, 204.449219 MB of memory in use. ENERGY: 1570800 761.2657 2085.0821 1953.0692 113.9824 -206197.0250 17779.0978 0.0000 0.0000 33950.4374 -149554.0904 296.4976 -183504.5279 -149462.8650 297.6740 -123.5979 -88.9180 558746.8529 -8.7995 -8.8370 PRESSURE: 1571000 -68.6571 36.2897 183.879 36.2889 -294.229 48.7884 183.878 48.7889 -43.2553 GPRESSURE: 1571000 -56.8012 -15.0212 169.757 101.541 -221.29 -49.6689 238.076 60.6705 -38.255 PRESSAVG: 1571000 39.8435 21.6101 9.84933 21.6102 19.0261 -55.3939 9.84941 -55.3939 -51.9085 GPRESSAVG: 1571000 40.3332 20.8434 9.24973 23.7305 17.3783 -55.2854 7.56823 -55.6427 -50.7352 TIMING: 1571000 CPU: 4562.54, 0.00287598/step Wall: 4562.54, 0.00287598/step, 2.73937 hours remaining, 204.449219 MB of memory in use. ENERGY: 1571000 742.0634 2103.6915 1967.3707 110.1131 -206376.9824 17757.3017 0.0000 0.0000 34367.4063 -149329.0358 300.1391 -183696.4421 -149234.3451 297.6912 -135.3806 -105.4486 558510.0591 2.3204 2.3254 PRESSURE: 1571200 -70.5961 169.791 23.1447 169.791 -10.0795 -71.6167 23.1452 -71.6171 -346.61 GPRESSURE: 1571200 -80.5694 152.02 40.0236 151.254 35.4959 -107.978 25.2922 -29.8302 -290.359 PRESSAVG: 1571200 46.7782 16.771 6.40031 16.771 14.8016 4.68298 6.40046 4.68296 -35.5644 GPRESSAVG: 1571200 45.7513 17.0959 8.47629 14.9686 15.3172 6.83834 5.55715 3.18406 -34.847 TIMING: 1571200 CPU: 4563.11, 0.00287071/step Wall: 4563.11, 0.00287071/step, 2.73419 hours remaining, 204.449219 MB of memory in use. ENERGY: 1571200 759.9839 2047.5593 1967.0937 115.5636 -206347.9961 17809.2675 0.0000 0.0000 34347.0384 -149301.4899 299.9612 -183648.5282 -149197.2023 298.5008 -142.4286 -111.8110 558746.4092 8.6718 8.7405 PRESSURE: 1571400 48.0989 -23.8023 -62.2058 -23.8017 10.5732 -139.784 -62.2054 -139.784 -311.914 GPRESSURE: 1571400 94.4306 36.1495 -152.505 -25.9517 -19.0058 -114.947 -29.5429 -134.889 -230.684 PRESSAVG: 1571400 -14.0113 -14.4943 -16.164 -14.4943 20.9887 27.6311 -16.164 27.6311 -24.4723 GPRESSAVG: 1571400 -15.2852 -15.062 -17.4051 -14.4411 21.9869 26.8498 -16.1711 28.7282 -24.8045 TIMING: 1571400 CPU: 4563.69, 0.0028894/step Wall: 4563.69, 0.0028894/step, 2.75183 hours remaining, 204.449219 MB of memory in use. ENERGY: 1571400 689.4404 2055.3805 1971.8940 116.4446 -206115.1813 17646.7253 0.0000 0.0000 34380.6818 -149254.6147 300.2550 -183635.2965 -149156.3466 298.3850 -84.4139 -51.7530 557753.7912 -5.8316 -6.0343 PRESSURE: 1571600 12.1796 -79.0008 -6.58514 -79.001 155.099 -44.9406 -6.58468 -44.9419 -63.2322 GPRESSURE: 1571600 28.5049 -74.4352 -100.678 -83.6905 153.41 -27.6537 67.729 -9.31674 16.5758 PRESSAVG: 1571600 -51.4701 -3.53069 -25.2203 -3.53065 89.3205 -61.4398 -25.2202 -61.4397 -64.2563 GPRESSAVG: 1571600 -49.3799 -1.61908 -23.8287 -3.99826 88.6497 -61.3873 -24.1265 -60.6078 -65.6631 TIMING: 1571600 CPU: 4564.27, 0.00289783/step Wall: 4564.27, 0.00289783/step, 2.7597 hours remaining, 204.449219 MB of memory in use. ENERGY: 1571600 767.5649 2030.1618 1953.0869 122.1311 -206459.1597 17935.8510 0.0000 0.0000 34406.1323 -149244.2318 300.4773 -183650.3640 -149151.5176 299.1595 34.6819 66.1634 557579.6574 -8.8020 -8.7978 PRESSURE: 1571800 166.188 -10.7 -20.6744 -10.7004 34.7568 -47.5714 -20.6749 -47.5718 -176.377 GPRESSURE: 1571800 175.012 -29.7782 -61.5902 -49.2506 103.884 -68.7586 -35.6538 -100.702 -153.608 PRESSAVG: 1571800 43.045 14.2328 -21.6298 14.2328 2.32815 11.2701 -21.6298 11.2701 -51.4401 GPRESSAVG: 1571800 43.2262 12.9063 -22.919 14.7028 2.16998 11.3604 -20.7005 10.4504 -51.3469 TIMING: 1571800 CPU: 4564.84, 0.00287748/step Wall: 4564.84, 0.00287748/step, 2.74016 hours remaining, 204.449219 MB of memory in use. ENERGY: 1571800 744.9190 2081.3321 1970.3583 123.7849 -205796.9430 17819.0178 0.0000 0.0000 34116.5494 -148940.9816 297.9483 -183057.5309 -148851.4482 299.6742 8.1891 41.7627 558765.3175 -2.0223 -1.9836 PRESSURE: 1572000 160.539 13.264 -37.2898 13.2639 92.4821 -95.251 -37.2893 -95.2521 153.361 GPRESSURE: 1572000 186.372 32.4949 -74.123 -12.6036 119.889 13.8086 11.2595 -93.8529 181.736 PRESSAVG: 1572000 -38.7921 37.3823 -63.0124 37.3823 -1.82497 -4.39994 -63.0124 -4.39996 4.72685 GPRESSAVG: 1572000 -39.7998 39.9642 -65.204 38.2967 -1.30297 -8.68704 -62.0261 -3.30303 4.76417 TIMING: 1572000 CPU: 4565.42, 0.0028899/step Wall: 4565.42, 0.0028899/step, 2.75183 hours remaining, 204.449219 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: 1572000 735.5297 2083.0676 1961.6133 112.1531 -206533.0763 18054.1399 0.0000 0.0000 34401.0391 -149185.5335 300.4328 -183586.5726 -149093.2346 299.4512 135.4607 162.6658 556737.0734 -11.9634 -12.1129 PRESSURE: 1572200 -147.509 -234.559 63.2165 -234.558 -24.7895 35.3263 63.2164 35.3285 151.882 GPRESSURE: 1572200 -130.629 -294.836 58.5003 -123.865 -17.8167 9.81878 117.616 157.757 229.903 PRESSAVG: 1572200 11.9243 -6.77371 -8.05076 -6.77375 -6.95169 -28.8385 -8.05079 -28.8386 77.5717 GPRESSAVG: 1572200 12.3126 -8.237 -6.06247 -7.37239 -6.98245 -26.5457 -8.96482 -30.7611 76.9123 TIMING: 1572200 CPU: 4565.99, 0.00285849/step Wall: 4565.99, 0.00285849/step, 2.72176 hours remaining, 204.449219 MB of memory in use. ENERGY: 1572200 752.6088 2074.0734 1970.7678 105.4116 -206297.4156 17695.9144 0.0000 0.0000 34249.5934 -149449.0462 299.1102 -183698.6396 -149349.3250 298.5692 -6.8054 27.1524 556103.3445 27.5148 27.4141 LDB: ============= START OF LOAD BALANCING ============== 4569.46 LDB: ============== END OF LOAD BALANCING =============== 4569.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4569.46 LDB: ============= START OF LOAD BALANCING ============== 4569.76 LDB: Largest compute 4821 load 0.029243 is 24.9% of average load 0.117650 LDB: Average compute 0.001716 is 1.5% of average load 0.117650 LDB: TIME 4569.76 LOAD: AVG 0.11765 MAX 0.177382 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.547 MB LDB: TIME 4569.76 LOAD: AVG 0.11765 MAX 0.177382 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.555 MB LDB: TIME 4569.76 LOAD: AVG 0.11765 MAX 0.177382 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4569.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4569.77 PRESSURE: 1572400 -221.739 -129.209 98.8626 -129.209 -153.748 -16.7491 98.863 -16.7512 117.669 GPRESSURE: 1572400 -145.321 -130.969 95.2671 -151.596 -165.749 52.0328 186.371 -138.427 151.185 PRESSAVG: 1572400 57.0955 -75.2433 -28.2748 -75.2434 -34.479 40.2883 -28.2748 40.2883 -13.1287 GPRESSAVG: 1572400 57.5667 -75.0934 -29.5289 -74.5494 -35.4288 41.4955 -28.1537 40.3949 -12.0487 TIMING: 1572400 CPU: 4566.59, 0.00298818/step Wall: 4566.59, 0.00298818/step, 2.84508 hours remaining, 205.164062 MB of memory in use. ENERGY: 1572400 733.3653 2043.1548 1960.4016 109.7617 -206122.6692 17690.3175 0.0000 0.0000 34204.0490 -149381.6193 298.7125 -183585.6683 -149280.6395 298.2510 -85.9390 -53.2950 557480.0800 3.1626 3.3631 PRESSURE: 1572600 196.435 64.2824 -28.0505 64.2814 22.2646 -45.1106 -28.0506 -45.1114 95.2864 GPRESSURE: 1572600 211.386 147.387 -108.089 86.2894 77.129 -16.4132 30.0587 -163.213 124.731 PRESSAVG: 1572600 20.0416 -63.0808 17.4518 -63.0807 11.2974 63.0066 17.4518 63.0064 -0.420668 GPRESSAVG: 1572600 18.0609 -63.4321 16.8397 -62.7906 11.7603 62.6525 17.5931 61.9626 -0.219507 TIMING: 1572600 CPU: 4567.17, 0.00289149/step Wall: 4567.17, 0.00289149/step, 2.75286 hours remaining, 205.367188 MB of memory in use. ENERGY: 1572600 734.1888 2100.1871 1992.4488 131.4146 -206198.1845 17984.3347 0.0000 0.0000 34045.3286 -149210.2820 297.3263 -183255.6105 -149112.8789 298.8821 104.6620 137.7484 556472.9225 10.3061 9.8672 PRESSURE: 1572800 -129.51 -70.4016 150.806 -70.4008 31.6259 48.1103 150.806 48.1105 -146.91 GPRESSURE: 1572800 -121.906 -26.1747 101.201 24.4135 64.4782 -32.8653 82.3515 178.895 -87.7535 PRESSAVG: 1572800 49.1366 3.69921 22.7062 3.69922 -52.121 41.3958 22.7063 41.3958 9.17273 GPRESSAVG: 1572800 50.4471 5.77799 24.3739 3.31228 -52.5576 40.7209 20.9462 40.3568 8.69275 TIMING: 1572800 CPU: 4567.75, 0.00290095/step Wall: 4567.75, 0.00290095/step, 2.76171 hours remaining, 205.367188 MB of memory in use. ENERGY: 1572800 759.0276 2116.0455 1955.2544 107.5410 -205667.9767 17561.1485 0.0000 0.0000 34161.5175 -149007.4422 298.3410 -183168.9596 -148919.4284 298.9701 -81.5979 -48.3938 557726.9023 2.0628 2.1941 PRESSURE: 1573000 -385.648 -49.4026 102.232 -49.4026 51.0259 25.7271 102.233 25.726 -290.122 GPRESSURE: 1573000 -349.966 -70.4377 119.387 -37.2881 98.7465 15.3721 127.587 -41.0065 -270.702 PRESSAVG: 1573000 -3.81342 -12.9912 -20.1145 -12.9912 11.2207 -7.03379 -20.1145 -7.03391 14.9649 GPRESSAVG: 1573000 -3.48485 -15.5639 -20.0119 -12.8742 12.278 -6.7399 -20.0958 -7.35028 13.8441 TIMING: 1573000 CPU: 4568.33, 0.00292434/step Wall: 4568.33, 0.00292434/step, 2.78381 hours remaining, 205.562500 MB of memory in use. ENERGY: 1573000 742.6667 2068.1085 1972.6722 115.6685 -205693.4464 17425.3854 0.0000 0.0000 34299.9742 -149068.9708 299.5502 -183368.9450 -148974.1583 299.4199 -208.2479 -173.9739 557866.3072 7.4574 7.5458 PRESSURE: 1573200 -142.916 -16.0428 -48.5305 -16.0428 -59.5738 162.612 -48.5305 162.611 -149.07 GPRESSURE: 1573200 -163.621 -59.1706 -31.2387 -4.41331 -60.9054 136.344 -115.501 131.454 -26.9182 PRESSAVG: 1573200 -22.7116 -10.1418 -67.4263 -10.1417 6.81446 -35.8946 -67.4262 -35.8947 3.76781 GPRESSAVG: 1573200 -22.979 -8.6892 -68.6624 -12.076 5.59248 -36.2109 -66.2435 -34.4922 5.17933 TIMING: 1573200 CPU: 4568.91, 0.00288006/step Wall: 4568.91, 0.00288006/step, 2.7415 hours remaining, 205.765625 MB of memory in use. ENERGY: 1573200 771.4175 2123.7105 1943.4863 119.8916 -206443.2127 17822.5452 0.0000 0.0000 34427.6234 -149234.5382 300.6650 -183662.1616 -149134.8498 299.7334 -117.1865 -83.8148 558184.0499 -4.0431 -4.0691 PRESSURE: 1573400 -76.0959 -44.6107 -128.94 -44.6099 79.4838 -177.401 -128.94 -177.402 -177.523 GPRESSURE: 1573400 -76.1159 -85.9179 -153.828 -88.5592 135.008 -154.366 -82.1046 -151.781 -132.136 PRESSAVG: 1573400 -3.53491 -25.8347 -60.9008 -25.8347 30.352 -28.336 -60.9009 -28.3358 -74.1171 GPRESSAVG: 1573400 -4.97369 -25.253 -62.1487 -26.2379 31.1381 -29.7331 -61.4616 -26.3016 -73.2897 TIMING: 1573400 CPU: 4569.49, 0.00291291/step Wall: 4569.49, 0.00291291/step, 2.77261 hours remaining, 205.765625 MB of memory in use. ENERGY: 1573400 751.9305 2113.5763 1949.5291 115.9651 -206311.5062 17721.8716 0.0000 0.0000 34308.4193 -149350.2143 299.6240 -183658.6336 -149245.9019 299.1607 -58.0451 -24.4148 556819.0792 -15.7667 -15.7084 PRESSURE: 1573600 19.1316 -60.8013 -37.4971 -60.8021 -245.544 40.6498 -37.4978 40.6486 40.5874 GPRESSURE: 1573600 51.492 11.0899 -20.9013 -59.3922 -176.157 -0.302392 -106.215 25.5589 34.9022 PRESSAVG: 1573600 49.5021 -30.9107 -25.7478 -30.9106 19.4375 11.2185 -25.7478 11.2186 -24.3692 GPRESSAVG: 1573600 51.7818 -32.3756 -23.4529 -28.6057 19.6107 12.6193 -24.372 8.61837 -26.1765 TIMING: 1573600 CPU: 4570.07, 0.00290601/step Wall: 4570.07, 0.00290601/step, 2.76588 hours remaining, 205.765625 MB of memory in use. ENERGY: 1573600 802.7105 2117.6783 1949.3729 115.8028 -206181.6569 17721.1824 0.0000 0.0000 34316.4878 -149158.4223 299.6944 -183474.9100 -149053.8315 299.4183 -61.9417 -29.9210 557273.9410 14.8568 15.0720 PRESSURE: 1573800 165.823 74.1373 -39.2868 74.1384 61.9202 24.7629 -39.2884 24.7626 -131.991 GPRESSURE: 1573800 229.748 37.8902 -151.005 157.756 1.46434 -18.4053 -37.0576 0.447837 -29.683 PRESSAVG: 1573800 43.6276 7.92414 -30.535 7.92419 -46.2272 -22.0205 -30.535 -22.0206 -27.8898 GPRESSAVG: 1573800 44.571 7.11902 -29.6533 7.20471 -46.5914 -22.1804 -32.1759 -20.728 -27.9904 TIMING: 1573800 CPU: 4570.65, 0.00289245/step Wall: 4570.65, 0.00289245/step, 2.75281 hours remaining, 205.765625 MB of memory in use. ENERGY: 1573800 715.0664 2119.6536 1989.9923 110.1097 -206174.4829 17811.7130 0.0000 0.0000 34339.0745 -149088.8734 299.8917 -183427.9479 -148986.0656 299.8112 31.9175 67.1764 556955.1346 -10.1631 -10.0036 PRESSURE: 1574000 -110.12 -18.3877 107.719 -18.3878 -15.0052 -224.288 107.719 -224.288 92.1776 GPRESSURE: 1574000 -139.954 30.8264 41.3444 29.3308 108.304 -227.293 110.167 -180.925 97.6988 PRESSAVG: 1574000 71.1324 -4.44201 -27.782 -4.44196 28.6805 -17.8866 -27.782 -17.8866 -90.8599 GPRESSAVG: 1574000 68.6334 -4.14412 -28.2678 -4.64922 30.1546 -17.8962 -28.78 -18.273 -89.7085 TIMING: 1574000 CPU: 4571.23, 0.00287808/step Wall: 4571.23, 0.00287808/step, 2.73898 hours remaining, 205.765625 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: 1574000 748.1221 2130.1268 1954.0745 115.3019 -206237.0250 17849.5487 0.0000 0.0000 34289.9730 -149149.8780 299.4629 -183439.8510 -149055.3337 299.6559 -10.9826 22.0164 557396.0420 2.9843 3.0265 PRESSURE: 1574200 -138.817 -61.7136 20.0503 -61.7134 -160.823 58.1718 20.0509 58.172 -64.9614 GPRESSURE: 1574200 -93.8773 -20.2205 123.574 -142.93 -93.3996 88.026 -30.7037 64.9748 -88.26 PRESSAVG: 1574200 10.738 10.9092 -1.18385 10.9091 28.9793 -52.981 -1.18382 -52.9809 -24.3543 GPRESSAVG: 1574200 11.988 9.05039 -1.41782 12.8635 28.3136 -52.7234 -0.831282 -52.4938 -25.5666 TIMING: 1574200 CPU: 4571.81, 0.00291746/step Wall: 4571.81, 0.00291746/step, 2.77628 hours remaining, 205.765625 MB of memory in use. ENERGY: 1574200 752.9637 2104.5064 1972.1038 108.5111 -205676.6871 17555.0812 0.0000 0.0000 34038.8213 -149144.6997 297.2695 -183183.5210 -149047.9387 298.7539 -121.5339 -91.8456 557408.2629 5.1210 4.9117 PRESSURE: 1574400 -86.8736 -53.1355 117.654 -53.1351 199.409 -75.2341 117.654 -75.2344 230.827 GPRESSURE: 1574400 -7.70612 -19.5527 27.1846 -0.726814 203.258 -111.754 79.9074 -62.7298 250.181 PRESSAVG: 1574400 -41.8707 -61.0255 67.8498 -61.0255 -24.8575 -70.214 67.8499 -70.214 -11.2448 GPRESSAVG: 1574400 -42.076 -59.1056 69.2312 -62.3541 -25.7425 -71.4401 69.2616 -70.5227 -10.1219 TIMING: 1574400 CPU: 4572.39, 0.00290567/step Wall: 4572.39, 0.00290567/step, 2.76491 hours remaining, 205.765625 MB of memory in use. ENERGY: 1574400 798.4690 2056.7885 1953.6388 114.6052 -206074.9093 17833.0684 0.0000 0.0000 34153.3503 -149164.9891 298.2697 -183318.3394 -149071.8762 298.6534 114.4542 148.5774 556373.3568 -25.9910 -25.9801 PRESSURE: 1574600 41.4685 74.8565 96.8137 74.8581 -38.2041 -83.9077 96.815 -83.9079 -92.3045 GPRESSURE: 1574600 88.8015 25.4763 127.513 114.251 -20.3654 -88.029 60.6644 -120.603 -60.7947 PRESSAVG: 1574600 -40.6078 -22.5325 31.0629 -22.5325 34.6942 -41.5069 31.0629 -41.5068 12.5708 GPRESSAVG: 1574600 -40.9359 -21.4759 29.9125 -22.9834 35.1313 -40.2935 29.4759 -39.6349 12.1354 TIMING: 1574600 CPU: 4572.97, 0.00288575/step Wall: 4572.97, 0.00288575/step, 2.74579 hours remaining, 205.765625 MB of memory in use. ENERGY: 1574600 809.4040 2104.8346 1938.2815 121.7793 -205822.5053 17511.4797 0.0000 0.0000 34370.5138 -148966.2124 300.1662 -183336.7262 -148862.3285 299.7840 -29.6800 2.5471 557565.1386 2.2191 2.1103 PRESSURE: 1574800 -138.431 -14.9547 -5.71453 -14.9532 -270.118 -53.3711 -5.71356 -53.37 -67.6757 GPRESSURE: 1574800 -39.8827 6.84202 -16.4087 -55.5112 -257.794 -19.1697 -31.1878 -70.4892 -79.1446 PRESSAVG: 1574800 9.21447 -30.1604 24.1016 -30.1603 -23.9602 -6.32216 24.1017 -6.32223 14.816 GPRESSAVG: 1574800 9.02715 -32.0112 24.509 -29.5726 -23.7937 -6.49467 24.8288 -6.11986 15.2357 TIMING: 1574800 CPU: 4573.55, 0.00292299/step Wall: 4573.55, 0.00292299/step, 2.78106 hours remaining, 205.765625 MB of memory in use. ENERGY: 1574800 741.8537 2124.8180 1961.3721 100.2004 -205624.1359 17514.9955 0.0000 0.0000 34270.0137 -148910.8827 299.2886 -183180.8963 -148814.3223 300.0398 -158.7417 -125.6071 559426.7462 0.0234 0.1564 PRESSURE: 1575000 -9.98069 -32.9505 155.654 -32.9505 0.986746 -2.36673 155.652 -2.36635 123.429 GPRESSURE: 1575000 0.901527 -32.3735 139.143 -20.5065 35.7687 25.3036 195.789 -23.8406 166.493 PRESSAVG: 1575000 27.3868 0.869845 17.6448 0.869801 -7.7296 17.3983 17.6448 17.3983 -10.728 GPRESSAVG: 1575000 27.5329 0.274068 16.9185 1.20389 -7.28613 18.8537 19.4438 15.3188 -11.2164 TIMING: 1575000 CPU: 4574.14, 0.00291965/step Wall: 4574.14, 0.00291965/step, 2.77772 hours remaining, 205.765625 MB of memory in use. ENERGY: 1575000 730.4076 2111.6718 1951.3600 139.0969 -205871.5921 17524.7293 0.0000 0.0000 34166.6396 -149247.6870 298.3858 -183414.3266 -149148.1038 299.5940 38.1450 67.7212 555698.8879 2.9764 3.0101 PRESSURE: 1575200 -230.276 62.2443 11.2835 62.2443 -120.51 232.488 11.284 232.489 99.5448 GPRESSURE: 1575200 -230.134 48.2991 -32.4272 31.4583 -30.4702 273.996 -8.60607 241.959 106.101 PRESSAVG: 1575200 -91.2723 -2.75738 20.3785 -2.75735 10.1412 43.3452 20.3784 43.3452 79.3465 GPRESSAVG: 1575200 -92.2782 -2.05662 19.7346 -2.29821 10.2402 42.477 19.1843 43.8854 79.8135 TIMING: 1575200 CPU: 4574.72, 0.00290136/step Wall: 4574.72, 0.00290136/step, 2.76016 hours remaining, 205.765625 MB of memory in use. ENERGY: 1575200 723.4526 2113.7885 1970.9973 119.0122 -206148.8577 17580.8332 0.0000 0.0000 34337.7123 -149303.0617 299.8798 -183640.7739 -149210.4769 299.2423 -83.7471 -51.5010 557514.3871 -0.5948 -0.7415 PRESSURE: 1575400 -193.171 -94.1385 15.5599 -94.1388 -57.5903 -48.6927 15.5595 -48.6923 -173.765 GPRESSURE: 1575400 -218.201 -154.491 116.524 -0.654381 31.9387 -81.2262 -12.7009 -30.295 -133.179 PRESSAVG: 1575400 -61.5345 9.3708 46.3934 9.37074 12.3496 25.3409 46.3936 25.3407 39.7374 GPRESSAVG: 1575400 -61.8676 11.9286 48.4594 9.22472 12.844 24.0741 45.5433 24.7393 39.569 TIMING: 1575400 CPU: 4575.3, 0.00290351/step Wall: 4575.3, 0.00290351/step, 2.76205 hours remaining, 205.765625 MB of memory in use. ENERGY: 1575400 740.1917 2138.1852 1970.6620 115.4613 -206071.0724 17558.1796 0.0000 0.0000 34097.6485 -149450.7441 297.7832 -183548.3926 -149350.2231 298.7750 -141.5088 -106.4803 558875.7163 -3.1492 -3.1516 PRESSURE: 1575600 -92.2512 120.595 -4.41455 120.593 -82.6892 54.1721 -4.41468 54.1712 189.061 GPRESSURE: 1575600 -72.4755 162.983 -38.7206 114.849 4.40591 -44.2243 -8.61331 109.324 186.963 PRESSAVG: 1575600 -59.7238 -47.8915 -38.6735 -47.8914 -6.16035 11.1991 -38.6735 11.1992 45.7169 GPRESSAVG: 1575600 -59.3563 -48.9208 -39.8568 -48.7624 -6.02564 12.7953 -38.7095 12.5907 45.8583 TIMING: 1575600 CPU: 4575.88, 0.00290547/step Wall: 4575.88, 0.00290547/step, 2.76375 hours remaining, 205.765625 MB of memory in use. ENERGY: 1575600 701.4272 2072.9424 1956.0663 124.8771 -206781.4948 17926.6865 0.0000 0.0000 34438.0735 -149561.4218 300.7563 -183999.4953 -149467.3006 298.8487 4.7067 39.6311 558729.6334 -6.7224 -6.5079 PRESSURE: 1575800 -9.34606 -54.5835 22.1102 -54.5833 159.793 69.1606 22.1098 69.161 217.595 GPRESSURE: 1575800 76.3999 -77.4103 95.4632 -53.7232 187.783 121.84 -1.27574 19.4507 207.041 PRESSAVG: 1575800 -38.9132 30.7309 -28.0482 30.7309 -6.66595 18.9241 -28.0483 18.9242 33.8869 GPRESSAVG: 1575800 -38.5567 29.36 -26.7651 33.0884 -8.11032 18.3233 -28.1288 20.29 34.6925 TIMING: 1575800 CPU: 4576.46, 0.00291679/step Wall: 4576.46, 0.00291679/step, 2.77435 hours remaining, 205.765625 MB of memory in use. ENERGY: 1575800 743.7634 2060.8150 1990.1058 98.9054 -206548.0053 17942.1792 0.0000 0.0000 34201.4195 -149510.8171 298.6895 -183712.2366 -149413.5009 299.1329 122.6807 157.0746 556775.1117 -3.8974 -3.9915 PRESSURE: 1576000 -25.4171 96.8674 -14.1804 96.8674 -49.6143 -2.21813 -14.1801 -2.21554 -206.259 GPRESSURE: 1576000 -5.95635 77.0901 10.208 147.15 14.5851 -43.875 -80.2869 47.0753 -206.276 PRESSAVG: 1576000 -73.7256 34.9919 -55.7613 34.9918 36.8846 -39.5558 -55.7613 -39.5559 49.5971 GPRESSAVG: 1576000 -72.956 36.2106 -57.2478 33.6529 37.2596 -39.4298 -55.4175 -41.652 48.2252 TIMING: 1576000 CPU: 4577.04, 0.00290357/step Wall: 4577.04, 0.00290357/step, 2.76162 hours remaining, 205.765625 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: 1576000 727.1303 2052.0385 1960.5019 115.7650 -206348.9027 17710.4672 0.0000 0.0000 34184.5001 -149598.4997 298.5417 -183782.9997 -149505.0505 298.1836 -93.7633 -65.8824 557117.6474 4.2520 4.1763 PRESSURE: 1576200 61.3938 117.87 -159.452 117.871 -164.937 -105.486 -159.453 -105.486 -25.88 GPRESSURE: 1576200 84.7464 27.6945 -142.558 96.0872 -114.099 -110.541 -166.066 -107.474 2.66564 PRESSAVG: 1576200 -4.84591 23.7428 1.52055 23.7427 13.6501 -74.9137 1.52059 -74.9138 -16.9716 GPRESSAVG: 1576200 -5.68589 22.5447 1.24804 24.1716 15.6846 -73.5543 3.99479 -76.3282 -18.5738 TIMING: 1576200 CPU: 4577.62, 0.00290137/step Wall: 4577.62, 0.00290137/step, 2.75936 hours remaining, 205.765625 MB of memory in use. ENERGY: 1576200 724.2733 2080.7826 1945.8671 120.2709 -206112.3344 17638.1006 0.0000 0.0000 34090.3427 -149512.6972 297.7194 -183603.0399 -149421.8857 298.1627 -43.1409 -8.8956 556993.8679 -2.7225 -2.8584 LDB: ============= START OF LOAD BALANCING ============== 4581.09 LDB: ============== END OF LOAD BALANCING =============== 4581.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4581.09 LDB: ============= START OF LOAD BALANCING ============== 4581.38 LDB: Largest compute 4821 load 0.028603 is 24.3% of average load 0.117738 LDB: Average compute 0.001725 is 1.5% of average load 0.117738 LDB: TIME 4581.39 LOAD: AVG 0.117738 MAX 0.177363 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.461 MB LDB: TIME 4581.39 LOAD: AVG 0.117738 MAX 0.177363 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 4581.39 LOAD: AVG 0.117738 MAX 0.177363 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4581.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4581.39 PRESSURE: 1576400 2.89422 -72.2137 -69.9953 -72.2124 42.2204 120.147 -69.9963 120.148 80.069 GPRESSURE: 1576400 22.5551 -118 -29.4381 70.0419 41.2733 146.032 -24.6201 139.781 151.576 PRESSAVG: 1576400 8.96831 11.5096 -89.1817 11.5097 2.81245 -10.0418 -89.1818 -10.0418 -38.1458 GPRESSAVG: 1576400 7.47189 13.3461 -87.812 13.1836 2.43536 -10.4339 -90.842 -9.24658 -35.8727 TIMING: 1576400 CPU: 4578.22, 0.00296409/step Wall: 4578.22, 0.00296409/step, 2.81885 hours remaining, 203.312500 MB of memory in use. ENERGY: 1576400 724.0941 2058.4284 1972.3077 107.9454 -206759.6660 18131.6665 0.0000 0.0000 34282.9610 -149482.2630 299.4016 -183765.2240 -149387.1570 298.3112 41.7279 71.8016 556822.6521 -8.7883 -8.6551 PRESSURE: 1576600 -84.5384 147.286 89.7058 147.288 248.941 -80.369 89.7053 -80.368 -261.717 GPRESSURE: 1576600 -64.8509 171.032 102.416 156.229 250.505 -128.976 52.3955 -66.8449 -196.772 PRESSAVG: 1576600 -60.4755 -24.4903 -36.8106 -24.4903 15.8289 44.5649 -36.8106 44.565 15.875 GPRESSAVG: 1576600 -58.6775 -24.7845 -36.6757 -26.3268 14.5789 42.3229 -36.957 45.2901 15.8071 TIMING: 1576600 CPU: 4578.8, 0.00291397/step Wall: 4578.8, 0.00291397/step, 2.77103 hours remaining, 203.351562 MB of memory in use. ENERGY: 1576600 709.8091 2116.0685 1970.3342 114.3399 -206232.9947 17707.1039 0.0000 0.0000 34008.9234 -149606.4157 297.0084 -183615.3391 -149499.9549 298.2776 -32.4381 -3.7060 557064.1094 -9.5905 -9.4305 PRESSURE: 1576800 -44.6073 39.1721 35.425 39.1719 -216.068 -100.151 35.4243 -100.151 88.6791 GPRESSURE: 1576800 -42.4186 97.9847 84.8628 -106.618 -136.295 -44.5829 -29.0145 -164.578 93.0882 PRESSAVG: 1576800 -3.96973 15.0997 22.868 15.0997 -25.2286 -5.15088 22.8681 -5.1509 31.2565 GPRESSAVG: 1576800 -3.86367 14.3912 20.1954 16.1973 -24.2 -4.18418 24.3887 -6.52353 30.5048 TIMING: 1576800 CPU: 4579.38, 0.00290258/step Wall: 4579.38, 0.00290258/step, 2.76003 hours remaining, 203.351562 MB of memory in use. ENERGY: 1576800 716.8619 2135.2609 1939.6566 115.7175 -206251.9174 17718.5787 0.0000 0.0000 34049.1175 -149576.7244 297.3594 -183625.8419 -149484.1864 297.5278 -57.3321 -28.5417 557654.6753 0.6860 0.8137 PRESSURE: 1577000 -62.1921 1.79593 -130.7 1.79402 7.48415 55.7491 -130.702 55.7512 -113.747 GPRESSURE: 1577000 -62.2309 -7.59135 -149.53 -35.5768 18.9854 7.59288 -81.5964 89.8876 -32.8837 PRESSAVG: 1577000 -41.6633 -59.7793 -24.8777 -59.7793 -10.0552 16.6367 -24.8777 16.6369 34.2561 GPRESSAVG: 1577000 -42.0758 -59.741 -21.9056 -61.2502 -10.7753 18.6154 -25.6497 17.1292 36.0205 TIMING: 1577000 CPU: 4579.96, 0.00291044/step Wall: 4579.96, 0.00291044/step, 2.76735 hours remaining, 203.351562 MB of memory in use. ENERGY: 1577000 728.7035 2093.0481 1972.4488 112.6384 -206201.0494 17744.9538 0.0000 0.0000 33996.4224 -149552.8344 296.8992 -183549.2568 -149451.4184 298.5427 -56.1517 -25.3764 556259.1579 -5.8208 -5.6102 PRESSURE: 1577200 8.14509 80.5172 -50.3425 80.5171 -5.57504 -36.7401 -50.3423 -36.7395 -39.1146 GPRESSURE: 1577200 68.1765 181.569 -108.421 81.7529 5.28109 -16.3662 -18.8959 37.8548 -7.59293 PRESSAVG: 1577200 -38.7979 12.5907 54.231 12.5906 44.4819 19.8059 54.231 19.8058 20.4285 GPRESSAVG: 1577200 -36.6576 12.5214 52.6153 12.4383 43.0034 19.3686 53.98 18.5609 19.4514 TIMING: 1577200 CPU: 4580.54, 0.00289397/step Wall: 4580.54, 0.00289397/step, 2.75152 hours remaining, 203.351562 MB of memory in use. ENERGY: 1577200 716.0046 2070.2812 1959.7708 99.2947 -206536.4519 17839.6729 0.0000 0.0000 34113.6071 -149737.8206 297.9226 -183851.4277 -149645.2855 297.6580 -12.1815 21.9549 557522.3000 8.7041 8.5991 PRESSURE: 1577400 90.7042 24.6017 -27.891 24.602 -213.375 15.1639 -27.8919 15.1649 66.4729 GPRESSURE: 1577400 133.257 29.9102 -12.5134 22.9542 -172.372 -65.8965 15.2659 -54.9389 70.5984 PRESSAVG: 1577400 -17.8268 9.09966 -19.0935 9.09966 37.0272 6.35798 -19.0934 6.35795 -50.4472 GPRESSAVG: 1577400 -19.0404 8.75184 -18.8971 8.35984 37.974 1.84392 -18.4727 7.53402 -50.5725 TIMING: 1577400 CPU: 4581.12, 0.00289629/step Wall: 4581.12, 0.00289629/step, 2.75357 hours remaining, 203.351562 MB of memory in use. ENERGY: 1577400 732.7252 2030.5053 1940.5685 107.1995 -206462.1004 17953.2900 0.0000 0.0000 34181.9165 -149515.8954 298.5192 -183697.8119 -149423.4017 297.9691 -18.7328 10.4946 557379.9146 -10.4156 -10.5463 PRESSURE: 1577600 -240.266 -41.2757 193.279 -41.276 -269.499 2.41667 193.279 2.41629 -203.056 GPRESSURE: 1577600 -202.918 -57.9439 171.938 -50.0591 -195.618 68.7596 179.569 -56.1619 -213.074 PRESSAVG: 1577600 -10.4527 -13.496 44.5854 -13.4962 12.3989 -22.1379 44.5854 -22.1379 -11.6458 GPRESSAVG: 1577600 -10.8042 -14.5796 45.1562 -12.7329 11.7643 -20.8295 44.5863 -21.4543 -10.9732 TIMING: 1577600 CPU: 4581.7, 0.00288331/step Wall: 4581.7, 0.00288331/step, 2.74107 hours remaining, 203.351562 MB of memory in use. ENERGY: 1577600 726.1045 2095.7167 1956.9739 118.2233 -205914.6402 17508.5062 0.0000 0.0000 34009.7733 -149499.3424 297.0158 -183509.1156 -149408.9671 298.3216 -237.6070 -203.8699 558943.2840 -3.2332 -3.3377 PRESSURE: 1577800 20.3091 -1.22205 -56.8158 -1.22181 -48.2906 -135.866 -56.816 -135.867 92.3061 GPRESSURE: 1577800 49.2338 7.86076 -100.273 -44.234 -38.8044 -110.143 -38.8282 -78.5247 149.701 PRESSAVG: 1577800 -26.089 25.2206 3.72497 25.2206 30.5073 23.4857 3.72494 23.4857 16.3381 GPRESSAVG: 1577800 -25.2783 26.2045 5.38206 25.5674 30.7939 25.7515 2.21756 21.4667 14.9069 TIMING: 1577800 CPU: 4582.27, 0.00288474/step Wall: 4582.27, 0.00288474/step, 2.74227 hours remaining, 203.351562 MB of memory in use. ENERGY: 1577800 760.3230 2085.7021 1946.0262 116.4177 -206537.4016 17977.4345 0.0000 0.0000 34213.6789 -149437.8192 298.7966 -183651.4981 -149344.4058 298.6774 21.4415 53.3768 556998.3814 6.9188 6.8075 PRESSURE: 1578000 -266.064 9.60209 -26.2623 9.60183 -43.6857 -67.1218 -26.2617 -67.1222 122.929 GPRESSURE: 1578000 -173.82 77.1572 -67.4655 -20.3714 -26.5566 32.561 -3.37006 -20.487 109.743 PRESSAVG: 1578000 -13.3531 12.2065 0.431824 12.2064 -64.8862 -36.4373 0.431792 -36.4373 55.9254 GPRESSAVG: 1578000 -14.0551 12.8157 -1.13401 11.8206 -64.8674 -37.3339 -0.772478 -35.5137 56.5346 TIMING: 1578000 CPU: 4582.85, 0.0028812/step Wall: 4582.85, 0.0028812/step, 2.73874 hours remaining, 203.351562 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: 1578000 749.8364 2088.3925 1973.2401 118.3167 -206310.2767 17665.0039 0.0000 0.0000 34196.5131 -149518.9739 298.6467 -183715.4870 -149428.1799 298.0809 -62.2738 -30.2111 557313.0991 -7.4380 -7.4626 PRESSURE: 1578200 166.491 -12.1323 20.0321 -12.1326 204.461 41.8425 20.0316 41.8434 158.631 GPRESSURE: 1578200 212.29 -60.2754 -32.0289 -0.518054 229.267 21.0423 33.9334 24.6512 189.346 PRESSAVG: 1578200 26.4222 -3.04673 -14.8945 -3.04675 -24.0499 -18.4114 -14.8945 -18.4112 -10.6081 GPRESSAVG: 1578200 25.1282 -2.34077 -15.9571 -3.40482 -22.54 -19.7138 -13.2874 -17.4414 -10.6448 TIMING: 1578200 CPU: 4583.43, 0.00289456/step Wall: 4583.43, 0.00289456/step, 2.75128 hours remaining, 203.351562 MB of memory in use. ENERGY: 1578200 703.1135 2067.4174 1943.8253 116.0917 -206837.3032 18152.3601 0.0000 0.0000 34261.0990 -149593.3963 299.2107 -183854.4953 -149495.3964 298.3873 176.5277 210.3011 555887.1136 -2.7453 -2.6855 PRESSURE: 1578400 -80.6446 -26.643 -85.431 -26.6442 118.769 -140.757 -85.431 -140.757 -22.5888 GPRESSURE: 1578400 -63.2293 -74.6089 -101.912 3.46382 146.426 -66.7419 -122.222 -137.966 26.9169 PRESSAVG: 1578400 25.4225 35.0586 22.8487 35.0586 25.8715 -0.656238 22.8486 -0.656197 -77.4749 GPRESSAVG: 1578400 26.3965 32.9673 23.91 35.5803 24.3046 0.864877 23.035 0.211181 -77.1154 TIMING: 1578400 CPU: 4584.01, 0.00291378/step Wall: 4584.01, 0.00291378/step, 2.76939 hours remaining, 203.351562 MB of memory in use. ENERGY: 1578400 728.1893 2063.5204 1980.1112 119.7956 -206267.1074 17833.8470 0.0000 0.0000 34001.7210 -149539.9230 296.9455 -183541.6440 -149445.1373 298.1306 5.1786 36.7045 557592.2143 -8.7270 -8.8048 PRESSURE: 1578600 -185.302 35.7748 -28.1569 35.7754 65.1853 224.297 -28.1553 224.297 -72.1483 GPRESSURE: 1578600 -222.648 112.562 -91.7627 2.46064 112.165 272.482 21.8278 181.273 16.2311 PRESSAVG: 1578600 -5.22255 35.4317 45.883 35.4315 7.9648 54.1166 45.883 54.1164 37.065 GPRESSAVG: 1578600 -4.6206 37.8067 47.0295 33.8836 7.61978 55.6892 45.3841 52.3235 36.8061 TIMING: 1578600 CPU: 4584.59, 0.00291054/step Wall: 4584.59, 0.00291054/step, 2.76614 hours remaining, 203.351562 MB of memory in use. ENERGY: 1578600 725.2200 2084.7513 1964.2098 122.1051 -206410.9496 17832.5783 0.0000 0.0000 34030.4484 -149651.6369 297.1964 -183682.0853 -149554.1734 297.3898 -64.0883 -31.4172 557570.7855 13.2691 13.2684 PRESSURE: 1578800 140.314 211.845 19.2163 211.844 -34.534 25.5519 19.2163 25.5501 293.298 GPRESSURE: 1578800 228.034 147.47 6.03144 197.336 -24.3397 -48.7735 89.1507 93.0449 281.846 PRESSAVG: 1578800 7.46058 34.0931 -9.35144 34.0931 -50.9241 20.7285 -9.35149 20.7285 35.5594 GPRESSAVG: 1578800 7.45917 34.8325 -10.0603 35.4033 -51.3777 20.478 -8.54495 19.3934 35.3599 TIMING: 1578800 CPU: 4585.18, 0.00291521/step Wall: 4585.18, 0.00291521/step, 2.77042 hours remaining, 203.351562 MB of memory in use. ENERGY: 1578800 729.3450 2068.1871 1923.7801 124.9393 -206894.7781 18159.0747 0.0000 0.0000 34232.9652 -149656.4867 298.9650 -183889.4519 -149559.9049 297.8056 133.0260 161.8470 557160.9646 -2.6347 -2.8529 PRESSURE: 1579000 -51.4855 69.009 -89.1622 69.0083 117.851 77.5538 -89.1624 77.5537 -173.72 GPRESSURE: 1579000 -12.9752 -7.7501 -47.6916 37.9895 142.881 50.6747 -137.317 66.3965 -142.544 PRESSAVG: 1579000 48.8045 -6.03237 -3.50771 -6.03248 -57.4483 6.23237 -3.50777 6.23232 25.1447 GPRESSAVG: 1579000 48.3556 -6.96784 -5.49163 -7.25308 -57.7452 5.49672 -2.02101 7.20173 25.7361 TIMING: 1579000 CPU: 4585.75, 0.00288272/step Wall: 4585.75, 0.00288272/step, 2.73938 hours remaining, 203.351562 MB of memory in use. ENERGY: 1579000 737.2147 2052.4993 1956.1496 114.9644 -206290.5212 17810.1759 0.0000 0.0000 34097.4116 -149522.1056 297.7812 -183619.5173 -149424.9212 297.9679 -35.7849 -4.2127 556602.4541 5.5003 5.4488 PRESSURE: 1579200 52.8448 -111.012 -29.4446 -111.013 -233.489 34.2639 -29.4465 34.2648 7.23523 GPRESSURE: 1579200 99.9532 2.47096 -74.2216 -211.589 -248.127 -23.2912 -97.0476 23.595 78.1136 PRESSAVG: 1579200 57.3774 -35.3557 -26.5693 -35.3558 -76.4781 -3.58361 -26.5694 -3.58368 51.0348 GPRESSAVG: 1579200 56.9443 -34.9899 -24.4397 -35.4885 -76.1768 -4.76834 -25.7655 -3.80578 50.5777 TIMING: 1579200 CPU: 4586.33, 0.00289227/step Wall: 4586.33, 0.00289227/step, 2.7483 hours remaining, 203.351562 MB of memory in use. ENERGY: 1579200 744.0499 2054.8678 1979.5577 119.1718 -206028.6822 17585.0287 0.0000 0.0000 33923.8795 -149622.1268 296.2657 -183546.0063 -149525.6922 297.3374 -57.8029 -23.3532 557073.5013 10.6447 10.4484 PRESSURE: 1579400 -0.171656 172.393 -3.77218 172.393 -26.665 137.615 -3.77264 137.616 69.0571 GPRESSURE: 1579400 50.3776 178.236 9.27363 231.466 33.7888 165.699 23.6784 54.4408 60.8919 PRESSAVG: 1579400 18.6661 -30.1955 -13.8801 -30.1954 -71.7128 -16.265 -13.88 -16.265 64.7673 GPRESSAVG: 1579400 18.4817 -33.3779 -14.7903 -27.3773 -71.0687 -16.6432 -15.6138 -14.1496 64.6007 TIMING: 1579400 CPU: 4586.92, 0.0029307/step Wall: 4586.92, 0.0029307/step, 2.78465 hours remaining, 203.351562 MB of memory in use. ENERGY: 1579400 735.1300 2110.9925 1938.2292 110.1372 -206612.8770 17823.6304 0.0000 0.0000 34324.4586 -149570.2992 299.7640 -183894.7578 -149476.4080 297.9795 14.0735 48.3528 556593.8044 3.9069 4.0046 PRESSURE: 1579600 -105.701 32.0237 -39.0908 32.0233 -127.477 29.4422 -39.0911 29.442 184.948 GPRESSURE: 1579600 -52.0925 112.307 -22.2182 -72.0022 -143.416 -37.1289 -22.189 20.1963 246.919 PRESSAVG: 1579600 -35.5235 -33.7739 32.8359 -33.7739 -4.44065 -36.7183 32.8359 -36.7183 25.3175 GPRESSAVG: 1579600 -35.6273 -33.1606 33.0628 -35.9027 -5.99686 -34.5763 32.7092 -38.3688 26.3919 TIMING: 1579600 CPU: 4587.5, 0.00290177/step Wall: 4587.5, 0.00290177/step, 2.757 hours remaining, 203.351562 MB of memory in use. ENERGY: 1579600 757.3368 2075.0680 1951.1609 113.1615 -206149.3479 17695.9442 0.0000 0.0000 34104.4228 -149452.2537 297.8424 -183556.6764 -149356.7176 298.0280 -16.0766 17.1370 556110.8163 -4.8822 -5.0774 PRESSURE: 1579800 -236.91 28.9191 317.021 28.9184 -158.193 136.646 317.019 136.645 -179.301 GPRESSURE: 1579800 -199.023 46.7809 274.935 23.7733 -175.311 49.3318 289.48 129.161 -99.2005 PRESSAVG: 1579800 -24.3584 2.69426 1.16472 2.69423 -9.86758 -20.3935 1.16464 -20.3935 19.5148 GPRESSAVG: 1579800 -24.612 4.38791 2.63911 1.2699 -9.11031 -23.6981 -1.05602 -20.7208 18.8749 TIMING: 1579800 CPU: 4588.08, 0.00290937/step Wall: 4588.08, 0.00290937/step, 2.76406 hours remaining, 203.351562 MB of memory in use. ENERGY: 1579800 777.5837 2101.7333 1998.8807 119.2058 -206118.2108 17490.1435 0.0000 0.0000 34216.8777 -149413.7861 298.8245 -183630.6638 -149316.3762 298.3612 -191.4681 -157.8449 556704.8246 -4.9037 -4.9491 PRESSURE: 1580000 -483.75 43.7168 64.5715 43.7181 -192.29 -170.696 64.5722 -170.698 -208.887 GPRESSURE: 1580000 -383.493 0.105659 32.2004 54.8891 -211.099 -181.022 79.4018 -125.972 -196.947 PRESSAVG: 1580000 -24.1751 -18.3001 95.3503 -18.3002 19.2226 -25.5724 95.3503 -25.5725 36.4576 GPRESSAVG: 1580000 -22.9335 -18.6894 94.1935 -17.4562 19.5599 -22.4196 96.4812 -25.0885 34.6647 TIMING: 1580000 CPU: 4588.66, 0.0028984/step Wall: 4588.66, 0.0028984/step, 2.75348 hours remaining, 203.351562 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: 1580000 762.2662 2118.1412 1968.3532 131.1134 -205657.9120 17301.7856 0.0000 0.0000 33865.0855 -149511.1669 295.7522 -183376.2523 -149417.7937 298.4498 -294.9756 -263.8466 557481.0852 10.5017 10.4304 PRESSURE: 1580200 8.66593 66.0966 -20.0141 66.0956 -127.63 101.11 -20.0127 101.11 -213.897 GPRESSURE: 1580200 74.2458 63.9149 1.99109 76.1825 -122.46 114.485 -1.59558 99.0349 -185.99 PRESSAVG: 1580200 -80.712 -31.1506 39.0387 -31.1506 67.6931 -16.8139 39.0387 -16.8138 -11.5409 GPRESSAVG: 1580200 -80.9625 -32.0455 39.0673 -30.497 66.5301 -19.6707 40.6034 -15.9126 -10.1415 TIMING: 1580200 CPU: 4589.24, 0.00289602/step Wall: 4589.24, 0.00289602/step, 2.75106 hours remaining, 203.351562 MB of memory in use. ENERGY: 1580200 752.7038 2072.0020 1980.9425 128.1987 -206355.7311 17698.2513 0.0000 0.0000 34145.8341 -149577.7987 298.2041 -183723.6329 -149475.3546 298.1563 -110.9538 -78.0682 556402.5481 -8.1866 -8.1913 LDB: ============= START OF LOAD BALANCING ============== 4592.7 LDB: ============== END OF LOAD BALANCING =============== 4592.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4592.71 LDB: ============= START OF LOAD BALANCING ============== 4593 LDB: Largest compute 4821 load 0.029271 is 24.9% of average load 0.117676 LDB: Average compute 0.001714 is 1.5% of average load 0.117676 LDB: TIME 4593 LOAD: AVG 0.117676 MAX 0.176748 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.395 MB LDB: TIME 4593 LOAD: AVG 0.117676 MAX 0.176748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 4593 LOAD: AVG 0.117676 MAX 0.176748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: ============== END OF LOAD BALANCING =============== 4593 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4593.01 PRESSURE: 1580400 -67.4946 40.2977 -53.7603 40.2968 490.975 -116.592 -53.7596 -116.592 -146.37 GPRESSURE: 1580400 -14.7911 12.1115 12.7746 41.2096 458.266 -175.978 -15.7896 -66.5965 -73.8834 PRESSAVG: 1580400 24.3834 -10.268 50.6804 -10.2681 -21.812 36.9539 50.6805 36.954 22.7557 GPRESSAVG: 1580400 24.7682 -9.90692 49.7153 -9.61108 -22.1395 38.1225 50.1236 36.6234 22.4062 TIMING: 1580400 CPU: 4589.83, 0.00296494/step Wall: 4589.83, 0.00296494/step, 2.81636 hours remaining, 205.296875 MB of memory in use. ENERGY: 1580400 764.9317 2138.2537 1948.2825 139.5118 -206635.1429 18002.5993 0.0000 0.0000 34188.6730 -149452.8909 298.5782 -183641.5639 -149360.4627 298.2527 92.3700 123.1970 557310.4668 8.4424 8.3450 PRESSURE: 1580600 -45.6251 3.66538 75.7958 3.66625 64.169 22.4413 75.7971 22.4413 249.474 GPRESSURE: 1580600 17.7883 -60.7883 103.219 11.6295 66.2319 41.6664 91.071 -49.1482 271.505 PRESSAVG: 1580600 22.7404 -13.729 25.3753 -13.729 -59.0859 -37.4092 25.3754 -37.4091 -1.19751 GPRESSAVG: 1580600 21.8435 -15.7622 26.4953 -14.5819 -59.4681 -36.1341 24.8607 -39.344 0.0842592 TIMING: 1580600 CPU: 4590.41, 0.00290803/step Wall: 4590.41, 0.00290803/step, 2.76215 hours remaining, 205.472656 MB of memory in use. ENERGY: 1580600 771.2973 2106.7031 1963.1017 119.8867 -206403.7631 17907.8489 0.0000 0.0000 34024.7034 -149510.2219 297.1462 -183534.9254 -149416.5578 298.8239 89.3395 118.5086 557423.6880 -12.5143 -12.5134 PRESSURE: 1580800 74.2419 -55.5131 54.4921 -55.5145 -378.38 27.7031 54.4921 27.7034 248.135 GPRESSURE: 1580800 77.7234 -55.203 24.3609 4.73902 -329.313 1.08023 64.5245 53.7692 298.93 PRESSAVG: 1580800 -16.4402 -67.5447 21.1669 -67.5446 -44.2159 -46.198 21.1669 -46.1982 93.1314 GPRESSAVG: 1580800 -17.2848 -65.1529 21.3945 -68.263 -42.6536 -48.7163 20.3435 -46.0947 92.4348 TIMING: 1580800 CPU: 4590.99, 0.00290261/step Wall: 4590.99, 0.00290261/step, 2.75684 hours remaining, 205.472656 MB of memory in use. ENERGY: 1580800 764.1088 2129.3054 1947.6975 128.9106 -206446.0831 17799.4895 0.0000 0.0000 34113.2912 -149563.2801 297.9199 -183676.5714 -149463.3726 298.1297 -18.6676 15.7801 555892.8306 10.8251 10.8321 PRESSURE: 1581000 -120.312 22.2598 -20.4529 22.2601 -66.15 -40.2452 -20.4523 -40.2451 87.4788 GPRESSURE: 1581000 -83.2973 46.2597 -61.6548 38.6075 -61.9132 -61.8365 -67.0774 43.9739 140.027 PRESSAVG: 1581000 11.3167 15.7338 5.78161 15.7338 -76.2815 -23.3916 5.78159 -23.3918 55.9593 GPRESSAVG: 1581000 10.9492 16.2274 2.94914 16.3032 -76.3186 -23.5561 8.76629 -23.1471 55.0906 TIMING: 1581000 CPU: 4591.57, 0.00289384/step Wall: 4591.57, 0.00289384/step, 2.74834 hours remaining, 205.472656 MB of memory in use. ENERGY: 1581000 753.0145 2088.7782 1958.1678 125.1395 -206488.8738 17886.6362 0.0000 0.0000 34094.1835 -149582.9542 297.7530 -183677.1376 -149488.5826 297.9340 -32.9943 -1.7277 555917.8602 -3.0018 -3.4263 PRESSURE: 1581200 27.2952 -36.7462 28.388 -36.7484 -129.391 10.4862 28.3896 10.486 243.861 GPRESSURE: 1581200 63.6144 -12.4366 61.9147 37.7997 -87.4183 16.5369 29.2391 49.0128 251.559 PRESSAVG: 1581200 60.3747 52.7069 81.8116 52.7068 -22.8033 -16.2983 81.8116 -16.2983 -63.9361 GPRESSAVG: 1581200 60.4325 49.8559 84.1484 53.3831 -23.5038 -13.9306 81.4016 -18.5316 -63.8451 TIMING: 1581200 CPU: 4592.15, 0.00287617/step Wall: 4592.15, 0.00287617/step, 2.7314 hours remaining, 205.675781 MB of memory in use. ENERGY: 1581200 755.0364 2123.4267 1952.8472 125.9129 -206674.5513 18024.6450 0.0000 0.0000 34373.4268 -149319.2562 300.1917 -183692.6830 -149225.0062 298.0621 47.2550 75.9184 557704.3329 -8.7882 -8.9721 PRESSURE: 1581400 -221.838 -2.9866 -177.043 -2.98543 -203.919 -33.5277 -177.042 -33.5276 -89.1799 GPRESSURE: 1581400 -209.863 62.6404 -172.579 49.0469 -206.778 -41.3261 -124.452 -15.6482 10.5037 PRESSAVG: 1581400 -9.49355 -6.35438 -31.1031 -6.35439 3.07878 1.88816 -31.1031 1.8881 55.5403 GPRESSAVG: 1581400 -8.75706 -6.10676 -32.1425 -6.15261 2.10009 1.29391 -30.9888 3.55836 56.183 TIMING: 1581400 CPU: 4592.73, 0.00289405/step Wall: 4592.73, 0.00289405/step, 2.74822 hours remaining, 205.675781 MB of memory in use. ENERGY: 1581400 750.6982 2093.8576 1980.6142 127.6657 -206132.1267 17582.9906 0.0000 0.0000 34091.9929 -149504.3076 297.7339 -183596.3004 -149400.6700 299.0345 -171.6456 -135.3790 557329.6678 16.3752 16.5087 PRESSURE: 1581600 -114.844 87.9892 -97.7957 87.99 -21.901 43.5852 -97.7954 43.5848 -128.102 GPRESSURE: 1581600 -89.1127 105.29 -52.6929 117.014 51.8885 12.6299 -143.156 64.327 -137.996 PRESSAVG: 1581600 -42.8223 55.8163 5.20733 55.8164 4.32135 -34.6957 5.20743 -34.6956 41.5926 GPRESSAVG: 1581600 -43.2907 57.7099 4.88678 55.5341 5.2875 -35.3707 4.88523 -36.1031 41.6892 TIMING: 1581600 CPU: 4593.31, 0.00289363/step Wall: 4593.31, 0.00289362/step, 2.74766 hours remaining, 205.675781 MB of memory in use. ENERGY: 1581600 741.7979 2085.1893 1947.0721 125.8656 -206271.4298 17758.1728 0.0000 0.0000 34105.3222 -149508.0099 297.8503 -183613.3321 -149412.5026 297.8456 -88.2821 -58.4067 557520.3020 1.0305 1.2287 PRESSURE: 1581800 89.8796 -151.539 -7.15231 -151.539 17.3733 18.513 -7.15113 18.5136 -47.4405 GPRESSURE: 1581800 82.9592 -137.161 58.9125 -170.815 79.6726 29.1795 -6.56723 29.0586 -9.03095 PRESSAVG: 1581800 3.92404 -26.6876 -14.6662 -26.6876 -19.4646 15.4742 -14.6662 15.4742 24.9861 GPRESSAVG: 1581800 3.01078 -27.0918 -13.7293 -27.3385 -20.4398 16.8249 -15.0705 16.5935 26.674 TIMING: 1581800 CPU: 4593.89, 0.00289869/step Wall: 4593.89, 0.0028987/step, 2.75231 hours remaining, 205.675781 MB of memory in use. ENERGY: 1581800 771.8659 2184.8269 1971.7912 119.4354 -206446.3413 17848.8850 0.0000 0.0000 34148.1583 -149401.3786 298.2244 -183549.5369 -149312.7915 298.8973 19.9375 51.2003 556346.9840 3.1485 3.0817 PRESSURE: 1582000 10.4484 -153.823 -45.2081 -153.824 -59.6003 -67.1854 -45.2087 -67.1858 151.252 GPRESSURE: 1582000 29.3315 -216.321 5.60328 -230.525 1.30185 -56.698 -4.17773 -122.161 167.951 PRESSAVG: 1582000 1.11381 -18.2946 -7.9862 -18.2946 0.820882 17.4275 -7.98628 17.4274 2.9031 GPRESSAVG: 1582000 1.36568 -18.168 -7.47626 -17.4835 1.39065 16.3325 -9.66801 17.6394 2.4466 TIMING: 1582000 CPU: 4594.47, 0.00290447/step Wall: 4594.47, 0.00290447/step, 2.75763 hours remaining, 205.675781 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: 1582000 717.3621 2072.5382 1976.1545 126.3190 -206407.6269 17857.0490 0.0000 0.0000 34171.7866 -149486.4176 298.4307 -183658.2041 -149394.4577 298.2726 34.0335 66.1947 558480.4796 1.6126 1.7343 PRESSURE: 1582200 -56.1993 43.2587 -85.4918 43.2591 55.8649 -26.1186 -85.4918 -26.1196 -41.8343 GPRESSURE: 1582200 47.4217 -9.82468 -139.582 55.1329 53.3484 60.1949 -4.599 -58.1896 -47.0982 PRESSAVG: 1582200 29.7535 -47.0451 38.9556 -47.0451 -10.9266 -61.7158 38.9556 -61.7159 45.1206 GPRESSAVG: 1582200 30.5114 -48.9025 38.7349 -47.331 -10.4444 -61.6637 39.3972 -61.9934 43.4748 TIMING: 1582200 CPU: 4595.05, 0.00289702/step Wall: 4595.05, 0.00289702/step, 2.7504 hours remaining, 205.675781 MB of memory in use. ENERGY: 1582200 710.4181 2157.8170 1960.5984 114.7206 -206536.2399 17753.5691 0.0000 0.0000 34324.1048 -149515.0119 299.7609 -183839.1166 -149409.7030 299.1573 -14.0562 17.8907 557002.5870 21.3158 21.1806 PRESSURE: 1582400 -67.9089 36.3314 -146.644 36.3308 -15.7807 54.5415 -146.642 54.5443 -217.247 GPRESSURE: 1582400 -8.5996 8.53746 -106.677 54.1019 41.7522 35.6777 -177.209 -16.9606 -236.812 PRESSAVG: 1582400 14.5989 -13.5517 -63.3823 -13.5517 -22.2873 -9.36582 -63.3822 -9.36582 -2.05824 GPRESSAVG: 1582400 13.4231 -13.3708 -64.6186 -11.6354 -23.2189 -10.9753 -60.3876 -9.40362 -0.0916182 TIMING: 1582400 CPU: 4595.62, 0.00289246/step Wall: 4595.62, 0.00289246/step, 2.74591 hours remaining, 205.675781 MB of memory in use. ENERGY: 1582400 710.0670 2173.3270 1964.8337 106.8532 -206315.4880 17730.6839 0.0000 0.0000 34167.0692 -149462.6541 298.3895 -183629.7233 -149370.4082 298.3065 -100.3121 -67.8863 558223.0706 -3.2489 -3.2958 PRESSURE: 1582600 -121.62 -217.279 -75.6515 -217.28 -77.0318 -113.169 -75.6518 -113.17 283.439 GPRESSURE: 1582600 -66.1927 -190.091 -106.712 -261.646 -103.838 -111.576 -25.9327 -93.399 361.598 PRESSAVG: 1582600 -22.7072 -36.9065 50.7829 -36.9066 19.4528 7.62382 50.7829 7.62385 57.6249 GPRESSAVG: 1582600 -22.9307 -35.8359 50.4674 -39.1184 19.5574 8.67977 50.3974 7.83625 57.6787 TIMING: 1582600 CPU: 4596.2, 0.0028814/step Wall: 4596.2, 0.0028814/step, 2.73525 hours remaining, 205.675781 MB of memory in use. ENERGY: 1582600 737.8243 2159.2408 1959.1640 105.7552 -206223.5328 17916.5292 0.0000 0.0000 33995.7797 -149349.2396 296.8936 -183345.0193 -149257.8343 298.5120 28.2625 63.8558 559807.4539 18.1235 18.1018 PRESSURE: 1582800 193.561 -124.508 64.1292 -124.509 105.261 7.34377 64.1287 7.34511 20.2272 GPRESSURE: 1582800 168.355 -121.861 47.4947 -36.3453 207.398 46.8724 54.2307 64.4124 51.7429 PRESSAVG: 1582800 -13.3342 -60.7399 -61.7637 -60.74 -9.50482 13.866 -61.7636 13.8661 42.1922 GPRESSAVG: 1582800 -12.6271 -59.4931 -61.06 -61.3204 -9.3502 14.3259 -62.9259 12.6856 41.5193 TIMING: 1582800 CPU: 4596.77, 0.00286824/step Wall: 4596.77, 0.00286824/step, 2.7226 hours remaining, 205.675781 MB of memory in use. ENERGY: 1582800 722.1976 2123.3976 1985.9982 128.9699 -206264.9967 17955.6885 0.0000 0.0000 34084.8801 -149263.8649 297.6717 -183348.7450 -149165.7967 298.2408 106.3497 142.4987 558802.3460 6.4511 6.5140 PRESSURE: 1583000 -244.243 -56.1276 4.68231 -56.1273 -218.102 40.4503 4.68172 40.4516 -413.952 GPRESSURE: 1583000 -231.901 -51.5698 -15.9061 -95.1847 -173.748 97.1383 58.8653 -34.2747 -362.882 PRESSAVG: 1583000 35.8674 -0.691962 -22.0433 -0.691916 -12.9372 -15.7101 -22.0433 -15.7101 -15.5721 GPRESSAVG: 1583000 36.5882 -1.42606 -22.4635 0.505091 -13.8613 -16.0736 -21.6707 -14.1097 -15.7539 TIMING: 1583000 CPU: 4597.36, 0.00292754/step Wall: 4597.36, 0.00292754/step, 2.77872 hours remaining, 205.675781 MB of memory in use. ENERGY: 1583000 785.8304 2124.9457 1953.1873 120.5550 -205816.9515 17518.2949 0.0000 0.0000 34020.1047 -149294.0335 297.1060 -183314.1382 -149201.1394 298.5800 -292.0989 -256.1770 560683.0948 2.4527 2.3243 PRESSURE: 1583200 -337.198 10.2285 67.299 10.2283 -235.136 -233.624 67.2986 -233.623 -454.371 GPRESSURE: 1583200 -352.379 -31.4955 127.437 45.2796 -205.309 -272.258 -13.3265 -180.169 -364.767 PRESSAVG: 1583200 -11.2016 -9.75338 45.1504 -9.7534 -7.05971 -34.3873 45.1504 -34.3872 -9.07814 GPRESSAVG: 1583200 -12.5538 -8.01497 46.4663 -8.61311 -6.7726 -34.5427 44.3767 -35.768 -8.13373 TIMING: 1583200 CPU: 4597.94, 0.00289307/step Wall: 4597.94, 0.00289307/step, 2.74585 hours remaining, 205.675781 MB of memory in use. ENERGY: 1583200 731.5710 2078.9935 1941.7618 111.6753 -205746.1346 17374.1420 0.0000 0.0000 34354.2342 -149153.7569 300.0241 -183507.9911 -149047.2509 299.4236 -342.2348 -307.4853 559317.2198 -9.1131 -9.1534 PRESSURE: 1583400 -328.157 -69.9832 -272.836 -69.9842 -352.77 107.185 -272.836 107.185 -278.765 GPRESSURE: 1583400 -245.629 -83.7238 -250.499 -138.773 -299.753 149.338 -293.373 60.0325 -317.227 PRESSAVG: 1583400 -8.01852 -21.3243 -13.2436 -21.3242 -18.6532 -46.8751 -13.2436 -46.875 49.8671 GPRESSAVG: 1583400 -8.58364 -21.9871 -12.479 -22.6791 -17.8835 -47.7679 -13.2168 -46.8052 49.8069 TIMING: 1583400 CPU: 4598.52, 0.00288494/step Wall: 4598.52, 0.00288494/step, 2.73797 hours remaining, 205.675781 MB of memory in use. ENERGY: 1583400 731.8513 2061.8008 1959.3701 116.6445 -205698.4341 17361.2638 0.0000 0.0000 34394.1138 -149073.3899 300.3724 -183467.5037 -148968.9150 299.3759 -319.8973 -287.5365 561562.5048 7.7318 7.7799 PRESSURE: 1583600 -129.259 -0.426329 -41.7057 -0.425983 314.808 -69.0016 -41.7046 -69.0013 -97.8851 GPRESSURE: 1583600 -96.9485 -7.09781 -76.4091 -12.8744 266.502 -91.274 -11.9286 -35.845 13.2333 PRESSAVG: 1583600 -0.812709 -4.53576 -17.4825 -4.53573 -56.8368 9.66356 -17.4824 9.66357 37.7297 GPRESSAVG: 1583600 0.390544 -6.50217 -19.3998 -3.18917 -57.6208 8.60744 -15.6908 12.6814 37.1615 TIMING: 1583600 CPU: 4599.09, 0.0028792/step Wall: 4599.09, 0.0028792/step, 2.73236 hours remaining, 205.675781 MB of memory in use. ENERGY: 1583600 734.0318 2136.4887 1960.4504 120.0417 -206472.7195 18043.9302 0.0000 0.0000 34178.7019 -149299.0749 298.4911 -183477.7768 -149208.9633 299.1000 29.2214 60.9289 558625.3339 -6.6400 -6.6896 PRESSURE: 1583800 -68.2452 -56.1088 -231.951 -56.1094 -302.4 9.31069 -231.951 9.30964 202.481 GPRESSURE: 1583800 -44.216 -110.787 -271.132 2.22002 -222.131 3.04767 -198.125 43.2353 202.963 PRESSAVG: 1583800 50.7541 14.6277 7.14764 14.6276 -81.1637 34.5002 7.14761 34.5002 67.1856 GPRESSAVG: 1583800 52.0389 15.2834 6.26876 13.4335 -81.4113 35.4561 8.50014 32.5779 66.038 TIMING: 1583800 CPU: 4599.67, 0.00286934/step Wall: 4599.67, 0.00286934/step, 2.72285 hours remaining, 205.675781 MB of memory in use. ENERGY: 1583800 753.3925 2176.5891 1949.4367 127.4383 -206098.5056 17807.4318 0.0000 0.0000 33987.1226 -149297.0945 296.8180 -183284.2172 -149197.9237 299.1385 -56.0546 -21.1280 558910.8856 12.2587 12.2219 PRESSURE: 1584000 -136.047 142.731 44.563 142.73 -293.209 36.6889 44.5616 36.689 -48.6968 GPRESSURE: 1584000 -109.18 111.007 8.90291 188.408 -228.751 84.9051 9.30406 49.2884 -26.158 PRESSAVG: 1584000 28.9956 2.69588 2.15738 2.69586 -27.2068 9.9576 2.15737 9.9577 4.45283 GPRESSAVG: 1584000 26.626 1.48561 2.54293 2.74775 -25.8259 11.2219 0.865578 9.67234 5.62117 TIMING: 1584000 CPU: 4600.25, 0.00291138/step Wall: 4600.25, 0.00291138/step, 2.76258 hours remaining, 205.675781 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: 1584000 751.3445 2151.3254 1922.4135 125.3060 -205650.1549 17488.5782 0.0000 0.0000 34098.6413 -149112.5460 297.7919 -183211.1873 -149016.5611 298.2199 -159.3176 -121.3631 558441.9271 2.0806 2.1404 PRESSURE: 1584200 -60.6284 64.101 -45.2623 64.1024 24.0364 -63.191 -45.2623 -63.1909 39.4979 GPRESSURE: 1584200 -24.6569 -9.69821 -66.5462 118.977 71.3843 -27.9256 14.3198 -10.3878 63.0107 PRESSAVG: 1584200 -75.7126 -27.4894 -4.00663 -27.4894 23.7699 6.38873 -4.00665 6.38871 42.9194 GPRESSAVG: 1584200 -74.0659 -26.4804 -3.0643 -28.2789 23.0071 3.94397 -4.28934 8.17056 42.0636 TIMING: 1584200 CPU: 4600.82, 0.0028773/step Wall: 4600.82, 0.0028773/step, 2.73008 hours remaining, 205.675781 MB of memory in use. ENERGY: 1584200 733.4068 2092.3225 1944.8742 113.1655 -205976.3166 17831.8394 0.0000 0.0000 34232.6982 -149028.0100 298.9627 -183260.7082 -148928.7124 299.8387 0.9687 36.5794 557509.0718 -3.0078 -2.9984 LDB: ============= START OF LOAD BALANCING ============== 4604.29 LDB: ============== END OF LOAD BALANCING =============== 4604.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4604.29 LDB: ============= START OF LOAD BALANCING ============== 4604.57 LDB: Largest compute 4821 load 0.030181 is 25.6% of average load 0.117836 LDB: Average compute 0.001718 is 1.5% of average load 0.117836 LDB: TIME 4604.58 LOAD: AVG 0.117836 MAX 0.174272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 4604.58 LOAD: AVG 0.117836 MAX 0.174272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: TIME 4604.58 LOAD: AVG 0.117836 MAX 0.174272 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4604.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4604.58 PRESSURE: 1584400 -380.499 -165.804 129.666 -165.803 -153.112 6.16573 129.666 6.16663 -93.1892 GPRESSURE: 1584400 -306.295 -202.645 113.227 -172.305 -174.975 -4.24518 114.008 22.6818 -40.9255 PRESSAVG: 1584400 -23.092 -42.0387 -73.502 -42.0387 14.5704 -27.4988 -73.5021 -27.4988 35.4959 GPRESSAVG: 1584400 -23.0379 -44.6867 -73.5521 -39.4375 15.6222 -25.8519 -73.5586 -28.7397 34.5261 TIMING: 1584400 CPU: 4601.41, 0.00292245/step Wall: 4601.41, 0.00292245/step, 2.77276 hours remaining, 206.218750 MB of memory in use. ENERGY: 1584400 800.3650 2151.2570 1950.8270 107.4117 -205910.6372 17480.1874 0.0000 0.0000 34455.4620 -148965.1270 300.9081 -183420.5890 -148866.6931 300.0947 -208.9337 -174.0654 558087.6051 8.9914 9.0368 PRESSURE: 1584600 0.251639 92.3559 -103.649 92.3552 -141.527 93.4613 -103.649 93.4598 -98.168 GPRESSURE: 1584600 23.1661 24.4682 -137.247 160.559 -131.86 23.1548 -110.108 123.634 -38.6438 PRESSAVG: 1584600 71.3848 -74.4366 -40.1024 -74.4365 -34.7547 -32.8686 -40.1024 -32.8685 -36.2011 GPRESSAVG: 1584600 70.8042 -72.8453 -40.8815 -73.3689 -34.9321 -33.7106 -41.4682 -32.0913 -35.0532 TIMING: 1584600 CPU: 4601.98, 0.00287887/step Wall: 4601.98, 0.00287887/step, 2.73125 hours remaining, 206.218750 MB of memory in use. ENERGY: 1584600 759.6198 2155.1062 1970.0097 117.9437 -205846.8311 17674.9891 0.0000 0.0000 34244.0323 -148925.1303 299.0617 -183169.1626 -148823.8028 300.2725 -79.8144 -49.1125 558172.1445 0.1430 0.2730 PRESSURE: 1584800 241.945 -129.394 11.1216 -129.394 59.7502 -62.1736 11.1209 -62.1736 184.752 GPRESSURE: 1584800 337.618 -7.88307 34.5512 -178.975 48.716 -18.6485 55.8597 -53.7862 204.996 PRESSAVG: 1584800 -0.471174 -71.4712 9.94645 -71.4712 28.4688 49.5112 9.94641 49.5112 -38.6248 GPRESSAVG: 1584800 -0.017417 -70.7232 9.30839 -73.077 28.496 51.3779 10.2692 48.5276 -38.8427 TIMING: 1584800 CPU: 4602.56, 0.00287172/step Wall: 4602.56, 0.00287172/step, 2.72431 hours remaining, 206.218750 MB of memory in use. ENERGY: 1584800 721.4510 2104.9997 1969.6015 118.4121 -206116.2640 17916.0452 0.0000 0.0000 34455.4133 -148830.3411 300.9077 -183285.7544 -148734.7893 300.5194 162.1492 197.1098 558744.6547 -3.5424 -3.4547 PRESSURE: 1585000 -133.231 77.4332 220.366 77.4335 218.888 44.8622 220.367 44.8631 -29.97 GPRESSURE: 1585000 -144.784 32.9683 155.847 128.045 247.709 82.3738 202.319 46.5066 49.0127 PRESSAVG: 1585000 27.0423 -23.3076 11.5561 -23.3076 18.5789 -17.4043 11.5561 -17.4042 -21.6765 GPRESSAVG: 1585000 26.785 -24.3072 10.896 -23.5832 18.7238 -17.3357 11.9578 -18.5943 -21.5937 TIMING: 1585000 CPU: 4603.14, 0.00289325/step Wall: 4603.14, 0.00289325/step, 2.74457 hours remaining, 206.347656 MB of memory in use. ENERGY: 1585000 752.4599 2180.4909 1964.0319 115.1874 -205969.1403 17768.8990 0.0000 0.0000 34383.2780 -148804.7932 300.2777 -183188.0712 -148709.3602 299.9513 18.5625 50.6462 558093.9224 7.9815 7.9717 PRESSURE: 1585200 307.829 -19.4546 -167.665 -19.4543 100.965 119.422 -167.664 119.422 -36.9576 GPRESSURE: 1585200 336.353 30.0108 -183.797 1.91939 112.972 19.8407 -168.133 74.2413 10.3 PRESSAVG: 1585200 35.7463 -3.64583 -34.0516 -3.64574 -31.8154 -27.1044 -34.0516 -27.1043 5.74291 GPRESSAVG: 1585200 35.9957 -4.17436 -31.6053 -2.81842 -31.1224 -28.1715 -35.0229 -25.5615 5.09798 TIMING: 1585200 CPU: 4603.72, 0.00289564/step Wall: 4603.72, 0.00289564/step, 2.74667 hours remaining, 206.347656 MB of memory in use. ENERGY: 1585200 726.3163 2065.4364 1975.7663 108.4463 -206297.3888 17937.5886 0.0000 0.0000 34530.0956 -148953.7394 301.5599 -183483.8350 -148850.7210 300.0729 123.9456 153.2084 558468.6958 3.2246 3.3238 PRESSURE: 1585400 -62.4759 107.189 -90.2214 107.192 363.803 -210.763 -90.2217 -210.764 164.888 GPRESSURE: 1585400 -21.9338 115.213 -160.137 66.5101 361.054 -157.445 -69.9361 -241.056 227.48 PRESSAVG: 1585400 7.84846 37.7046 -41.1498 37.7045 21.5265 -25.0246 -41.1498 -25.0244 -9.1882 GPRESSAVG: 1585400 7.16999 38.2995 -40.2861 37.7654 19.9275 -24.2226 -42.7527 -25.6931 -6.7164 TIMING: 1585400 CPU: 4604.3, 0.00290812/step Wall: 4604.3, 0.00290812/step, 2.75835 hours remaining, 206.636719 MB of memory in use. ENERGY: 1585400 759.9093 2108.6033 1919.1975 113.3181 -206520.2051 18176.3774 0.0000 0.0000 34322.1660 -149120.6335 299.7440 -183442.7995 -149030.1381 300.3177 155.4049 188.8667 557822.0668 6.7289 6.7937 PRESSURE: 1585600 57.2409 2.89996 -123.266 2.89868 122.364 -130.908 -123.265 -130.907 -72.6662 GPRESSURE: 1585600 92.3857 81.7506 -127.692 -71.327 182.061 -166.783 -84.9852 -112.077 -66.5356 PRESSAVG: 1585600 -17.0944 -13.9801 -18.1967 -13.9801 17.688 -74.2586 -18.1966 -74.2586 -16.1334 GPRESSAVG: 1585600 -16.5314 -14.1796 -19.2097 -16.0172 17.9356 -76.0189 -15.4623 -74.6266 -16.978 TIMING: 1585600 CPU: 4604.88, 0.00291403/step Wall: 4604.88, 0.00291403/step, 2.76379 hours remaining, 206.636719 MB of memory in use. ENERGY: 1585600 792.0691 2082.9203 1930.6499 101.7783 -206439.7443 17957.6252 0.0000 0.0000 34324.9864 -149249.7153 299.7686 -183574.7016 -149153.2608 299.4237 35.6461 69.3035 558899.7004 -5.1799 -5.1913 PRESSURE: 1585800 -204.48 16.9587 -47.366 16.9579 156.327 92.3606 -47.3651 92.3617 178.277 GPRESSURE: 1585800 -91.9309 94.9383 68.1225 47.6719 115.733 42.4709 -90.0026 97.077 224.295 PRESSAVG: 1585800 -53.3799 25.6366 -10.8722 25.6365 -1.40022 -48.1625 -10.8724 -48.1627 16.2491 GPRESSAVG: 1585800 -55.0221 26.4791 -10.5811 26.7395 -0.255756 -44.6016 -12.5297 -48.2683 17.1587 TIMING: 1585800 CPU: 4605.46, 0.00288876/step Wall: 4605.46, 0.00288876/step, 2.73966 hours remaining, 206.636719 MB of memory in use. ENERGY: 1585800 723.5980 2130.6670 1958.5414 107.4890 -206408.5367 17944.3657 0.0000 0.0000 34333.7938 -149210.0817 299.8456 -183543.8755 -149116.3183 298.8940 43.3745 82.6988 558139.0019 -12.8437 -12.7064 PRESSURE: 1586000 -20.3226 -120.985 -81.8347 -120.985 126.67 -0.197681 -81.8356 -0.198858 -191.605 GPRESSURE: 1586000 24.6759 -78.5701 -73.2549 -132.048 164.767 -35.5697 -9.87452 87.6974 -168.813 PRESSAVG: 1586000 -38.0709 31.9652 -34.2791 31.9651 38.0829 -42.1941 -34.2791 -42.1941 20.022 GPRESSAVG: 1586000 -37.7056 31.2696 -35.594 31.6187 37.5885 -43.5486 -33.3149 -42.576 20.1185 TIMING: 1586000 CPU: 4606.03, 0.00288444/step Wall: 4606.03, 0.00288444/step, 2.73541 hours remaining, 206.636719 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: 1586000 742.7657 2091.5947 1947.4571 117.4377 -206383.1483 17890.1773 0.0000 0.0000 34364.5230 -149229.1927 300.1139 -183593.7157 -149137.3887 299.3407 -28.4193 6.8765 558672.2487 6.6780 6.6672 PRESSURE: 1586200 35.5409 -11.6968 -81.6282 -11.6972 -285.078 123.761 -81.6286 123.759 -75.1713 GPRESSURE: 1586200 66.0253 31.4294 -4.71664 -9.23147 -242.057 73.5044 -55.8869 193.838 -37.7381 PRESSAVG: 1586200 -53.3333 -13.3143 -73.651 -13.3144 4.79999 -2.49627 -73.6509 -2.4962 73.9145 GPRESSAVG: 1586200 -53.0154 -13.4708 -73.4083 -11.4514 5.39803 -3.43148 -73.2915 -1.41444 72.6989 TIMING: 1586200 CPU: 4606.61, 0.00288807/step Wall: 4606.61, 0.00288807/step, 2.7387 hours remaining, 206.636719 MB of memory in use. ENERGY: 1586200 737.1258 2084.6072 1975.3388 116.6330 -206254.2971 17745.2920 0.0000 0.0000 34362.4733 -149232.8271 300.0960 -183595.3003 -149141.4855 299.5625 -108.2360 -71.2566 558784.0485 8.4604 8.3605 PRESSURE: 1586400 148.469 -49.3948 -199.644 -49.3939 118.967 -202.477 -199.643 -202.476 -113.73 GPRESSURE: 1586400 220.259 -12.7626 -233.682 -46.3921 117.146 -273.633 -142.797 -141.379 -77.4262 PRESSAVG: 1586400 -75.9974 -31.3536 -20.9444 -31.3537 2.07259 5.66996 -20.9446 5.67 86.6995 GPRESSAVG: 1586400 -76.0273 -31.0081 -21.2894 -31.233 0.975507 4.57499 -20.9177 7.06551 87.5772 TIMING: 1586400 CPU: 4607.19, 0.00287305/step Wall: 4607.19, 0.00287305/step, 2.72429 hours remaining, 206.636719 MB of memory in use. ENERGY: 1586400 784.9369 2103.9653 1971.1057 113.4964 -206439.7017 17988.4394 0.0000 0.0000 34192.7746 -149284.9834 298.6140 -183477.7580 -149192.0740 299.0015 51.2354 86.6594 557684.3631 4.2582 4.1751 PRESSURE: 1586600 -72.2569 152.117 -11.288 152.117 95.941 -155.457 -11.2865 -155.457 -98.4577 GPRESSURE: 1586600 -71.2638 225.253 -47.6162 51.409 122.535 -154.632 -96.964 -162.383 -28.6738 PRESSAVG: 1586600 -27.0381 -50.6598 -2.67358 -50.6598 -3.56168 -15.7742 -2.6735 -15.7741 34.381 GPRESSAVG: 1586600 -27.9082 -50.054 -2.5755 -51.0178 -2.63676 -13.5019 -4.46353 -18.3999 34.2612 TIMING: 1586600 CPU: 4607.76, 0.00287065/step Wall: 4607.76, 0.00287065/step, 2.72185 hours remaining, 206.636719 MB of memory in use. ENERGY: 1586600 732.4360 2188.0838 1945.6395 124.9284 -205989.4626 17663.0968 0.0000 0.0000 34101.2878 -149233.9903 297.8150 -183335.2782 -149137.2608 299.0935 -24.9245 7.5323 557807.9087 1.2604 1.2388 PRESSURE: 1586800 163.673 156.51 110.459 156.511 -407.364 82.4365 110.458 82.4369 -71.8896 GPRESSURE: 1586800 95.3273 197.704 124.097 157.668 -327.586 95.9935 127.013 9.49171 17.2004 PRESSAVG: 1586800 -22.0879 8.36281 48.1546 8.36278 -0.316453 4.57409 48.1547 4.57413 -2.85048 GPRESSAVG: 1586800 -21.0738 8.45746 48.6334 7.86954 -0.864496 1.8142 47.1794 6.00115 -3.37111 TIMING: 1586800 CPU: 4608.34, 0.00289434/step Wall: 4608.34, 0.00289434/step, 2.74415 hours remaining, 206.636719 MB of memory in use. ENERGY: 1586800 777.7339 2095.8012 1928.2091 117.5816 -206196.2990 17760.6683 0.0000 0.0000 34236.6952 -149279.6097 298.9976 -183516.3049 -149183.4126 298.7361 -105.1936 -71.6860 558491.5369 -8.4183 -8.4365 PRESSURE: 1587000 -123.323 180.399 -117.771 180.398 238.201 49.4909 -117.77 49.4917 26.1537 GPRESSURE: 1587000 -19.5359 121.001 -99.0182 112.848 227.962 55.0293 -86.5894 22.6185 27.0223 PRESSAVG: 1587000 -18.398 34.2418 -47.0688 34.2418 -17.6745 1.2184 -47.0688 1.21841 -6.80979 GPRESSAVG: 1587000 -18.5868 32.6673 -46.991 35.369 -17.9879 3.10685 -45.3811 1.24605 -6.59983 TIMING: 1587000 CPU: 4608.92, 0.00289899/step Wall: 4608.92, 0.00289899/step, 2.7484 hours remaining, 206.636719 MB of memory in use. ENERGY: 1587000 788.7088 2080.5210 1962.3730 121.5413 -206162.0876 17775.9814 0.0000 0.0000 34386.9916 -149045.9706 300.3102 -183432.9621 -148952.0179 299.3030 47.0107 78.4828 557533.0294 -14.2941 -14.3915 PRESSURE: 1587200 -236.159 31.461 -70.3927 31.4598 -120.826 59.6499 -70.3923 59.6518 -100.599 GPRESSURE: 1587200 -248.29 44.53 -80.979 54.9157 -82.3397 81.1432 -63.7223 36.8702 -32.9546 PRESSAVG: 1587200 8.73977 -17.5228 25.9687 -17.5228 -37.4877 -2.0755 25.9686 -2.07546 18.134 GPRESSAVG: 1587200 7.51613 -17.2744 23.9312 -18.4308 -36.8838 -2.08418 29.1652 -2.96694 18.7939 TIMING: 1587200 CPU: 4609.5, 0.00290571/step Wall: 4609.5, 0.00290571/step, 2.75462 hours remaining, 206.636719 MB of memory in use. ENERGY: 1587200 729.7363 2083.5238 1971.4643 118.8959 -205618.2751 17558.8835 0.0000 0.0000 34323.3157 -148832.4557 299.7541 -183155.7714 -148736.5480 300.1960 -152.5279 -121.1948 560030.2631 -3.5380 -3.5246 PRESSURE: 1587400 133.119 -80.4651 -42.8809 -80.4659 -231.342 -87.9035 -42.8801 -87.9027 -31.2413 GPRESSURE: 1587400 157.85 -65.3198 -13.2311 -113.542 -100.63 -188.837 -97.6401 18.0711 -85.5906 PRESSAVG: 1587400 23.1937 82.1217 72.492 82.1218 -83.921 33.4755 72.492 33.4755 22.5767 GPRESSAVG: 1587400 24.1113 81.475 75.2559 82.3171 -84.8075 33.0357 68.9158 33.382 22.0804 TIMING: 1587400 CPU: 4610.08, 0.00291649/step Wall: 4610.08, 0.00291649/step, 2.76467 hours remaining, 206.636719 MB of memory in use. ENERGY: 1587400 762.5670 2157.3294 1940.2486 113.0282 -205903.6695 17808.2277 0.0000 0.0000 34247.8822 -148874.3864 299.0953 -183122.2687 -148783.8053 299.5518 -43.1546 -9.4566 559465.7251 -12.7168 -12.8720 PRESSURE: 1587600 44.9612 16.3522 -173.107 16.3527 -218.411 -90.0853 -173.107 -90.0854 133.004 GPRESSURE: 1587600 66.8593 -40.3887 -92.4783 -6.98633 -199.824 -11.3312 -134.128 -95.5812 183.548 PRESSAVG: 1587600 -28.5792 -30.0077 -7.71858 -30.0077 -33.2879 -13.4673 -7.71865 -13.4673 86.0983 GPRESSAVG: 1587600 -28.9301 -28.0298 -9.48533 -31.1948 -30.997 -14.0575 -5.80809 -12.1902 84.0259 TIMING: 1587600 CPU: 4610.66, 0.00287153/step Wall: 4610.66, 0.00287153/step, 2.72189 hours remaining, 206.636719 MB of memory in use. ENERGY: 1587600 772.9955 2106.2281 1916.7170 118.7006 -206177.9411 17896.0724 0.0000 0.0000 34445.4471 -148921.7804 300.8207 -183367.2275 -148823.2581 299.2856 -13.4821 16.8610 557986.6690 8.0771 8.0329 PRESSURE: 1587800 -84.1901 -45.821 34.4701 -45.822 -101.598 -154.763 34.4703 -154.763 154.1 GPRESSURE: 1587800 -101.482 -62.3153 -76.5112 -51.1703 2.06304 -179.944 90.0864 -75.5334 169.949 PRESSAVG: 1587800 0.493839 22.0517 27.776 22.0516 -21.7065 -39.2465 27.776 -39.2463 23.3668 GPRESSAVG: 1587800 -0.230268 21.272 26.98 23.2039 -22.0882 -38.514 27.6539 -41.1593 25.2521 TIMING: 1587800 CPU: 4611.24, 0.00290826/step Wall: 4611.24, 0.00290826/step, 2.75655 hours remaining, 206.636719 MB of memory in use. ENERGY: 1587800 757.6764 2067.7498 1941.4121 111.6093 -206173.5262 18040.4413 0.0000 0.0000 33984.4445 -149270.1928 296.7946 -183254.6373 -149174.1194 299.1196 -10.5626 23.5102 559896.3822 0.7180 0.9779 PRESSURE: 1588000 197.644 60.1554 193.812 60.154 -230.391 144.956 193.813 144.955 67.5129 GPRESSURE: 1588000 236.314 7.45708 274.997 69.7336 -265.548 120.132 106.389 132.972 153.197 PRESSAVG: 1588000 57.673 30.9187 -34.198 30.9187 -42.8413 -45.5552 -34.1979 -45.5552 19.6244 GPRESSAVG: 1588000 58.7982 30.0405 -32.7068 29.0954 -43.1011 -43.9582 -36.3292 -45.0489 19.5397 TIMING: 1588000 CPU: 4611.82, 0.00288319/step Wall: 4611.82, 0.00288319/step, 2.73262 hours remaining, 206.636719 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: 1588000 771.1249 2081.9915 1910.8564 114.3151 -206165.3243 17934.1598 0.0000 0.0000 34344.8468 -149008.0298 299.9421 -183352.8766 -148914.1288 299.0621 11.5888 41.3210 558824.4197 11.4854 11.7456 PRESSURE: 1588200 186.007 57.6476 -24.3061 57.6482 -136.275 -70.8137 -24.3054 -70.8133 25.1264 GPRESSURE: 1588200 195.724 9.95365 -52.0557 144.79 -82.4897 -11.7243 -42.1597 -54.6161 53.44 PRESSAVG: 1588200 18.2777 -21.0887 -49.1124 -21.0887 -32.9119 36.2307 -49.1124 36.2307 -1.61315 GPRESSAVG: 1588200 17.7882 -19.9989 -51.7615 -20.3479 -32.0584 33.9807 -48.0525 37.4116 -1.99949 TIMING: 1588200 CPU: 4612.4, 0.00291949/step Wall: 4612.4, 0.00291949/step, 2.76686 hours remaining, 206.636719 MB of memory in use. ENERGY: 1588200 758.6611 2078.7433 1944.9779 111.3423 -205974.8701 17842.0562 0.0000 0.0000 34260.1076 -148978.9816 299.2020 -183239.0892 -148881.7409 299.2873 24.9529 55.5582 558297.7719 -5.4158 -5.4232 LDB: ============= START OF LOAD BALANCING ============== 4615.87 LDB: ============== END OF LOAD BALANCING =============== 4615.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4615.87 LDB: ============= START OF LOAD BALANCING ============== 4616.16 LDB: Largest compute 4821 load 0.030486 is 25.9% of average load 0.117662 LDB: Average compute 0.001718 is 1.5% of average load 0.117662 LDB: TIME 4616.16 LOAD: AVG 0.117662 MAX 0.18103 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.988 MB LDB: TIME 4616.16 LOAD: AVG 0.117662 MAX 0.18103 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: TIME 4616.16 LOAD: AVG 0.117662 MAX 0.18103 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: ============== END OF LOAD BALANCING =============== 4616.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4616.17 PRESSURE: 1588400 91.0205 -13.9091 -94.4317 -13.9079 -221.215 -11.9354 -94.4321 -11.9363 -54.9824 GPRESSURE: 1588400 107.39 -41.7239 -128.058 46.6311 -205.754 18.112 -69.5354 -18.633 0.950873 PRESSAVG: 1588400 4.78068 41.7636 9.34564 41.7635 -43.6909 15.4974 9.34565 15.4975 35.6658 GPRESSAVG: 1588400 5.15722 39.7664 12.4189 43.0721 -44.9403 16.0707 7.97529 14.2851 36.7031 TIMING: 1588400 CPU: 4613, 0.00297681/step Wall: 4613, 0.00297681/step, 2.82102 hours remaining, 205.617188 MB of memory in use. ENERGY: 1588400 737.4211 2109.2523 1948.5778 115.4207 -205424.7813 17472.4413 0.0000 0.0000 34215.8379 -148825.8302 298.8154 -183041.6681 -148732.0682 299.7107 -61.7257 -32.4712 558757.1378 -1.0815 -1.0266 PRESSURE: 1588600 135.252 127.454 44.8021 127.455 -111.488 -83.3712 44.8029 -83.3715 78.6346 GPRESSURE: 1588600 149.872 46.1187 54.809 159.948 -121.627 -39.1813 25.8948 -39.4354 168.38 PRESSAVG: 1588600 9.46009 28.6509 12.5885 28.651 9.88131 -88.0334 12.5886 -88.0335 -26.3183 GPRESSAVG: 1588600 9.19323 28.9981 11.5304 28.6133 9.05603 -86.9792 13.0135 -87.491 -25.1233 TIMING: 1588600 CPU: 4613.58, 0.00293316/step Wall: 4613.58, 0.00293316/step, 2.77949 hours remaining, 206.144531 MB of memory in use. ENERGY: 1588600 739.1741 2143.4736 1978.2238 113.6895 -205955.2731 17821.6701 0.0000 0.0000 34413.4818 -148745.5601 300.5415 -183159.0419 -148646.5636 299.9701 34.1329 65.5416 558724.2617 -2.3256 -2.2914 PRESSURE: 1588800 92.0715 25.2964 23.5637 25.2965 -160.724 -156.177 23.565 -156.178 -142.982 GPRESSURE: 1588800 127.911 -17.8612 2.28966 51.5243 -127.786 -118.407 3.65027 -279.483 -127.964 PRESSAVG: 1588800 73.7351 -2.92287 -56.8234 -2.92297 -19.2029 -16.4456 -56.8233 -16.4454 -23.1549 GPRESSAVG: 1588800 72.942 -1.29644 -57.4334 -4.82347 -17.9978 -16.6136 -56.7609 -16.6246 -23.405 TIMING: 1588800 CPU: 4614.17, 0.00292618/step Wall: 4614.17, 0.00292618/step, 2.77272 hours remaining, 206.144531 MB of memory in use. ENERGY: 1588800 732.3828 2091.6635 1958.9180 118.1337 -205622.0562 17626.2346 0.0000 0.0000 34416.2801 -148678.4434 300.5659 -183094.7235 -148574.7488 300.8339 -70.5450 -42.6130 559091.0808 10.4591 10.5131 PRESSURE: 1589000 -307.36 29.8666 79.7488 29.8663 -233.576 139.38 79.7481 139.379 217.515 GPRESSURE: 1589000 -268.841 21.7869 90.6321 23.9946 -167.905 95.9995 74.2816 183.672 200.122 PRESSAVG: 1589000 -29.9382 -16.7039 -21.9633 -16.7039 -58.0895 39.4292 -21.9633 39.4292 75.9849 GPRESSAVG: 1589000 -29.4787 -17.5192 -20.5729 -14.8662 -57.4018 39.2234 -22.9791 40.5845 75.4294 TIMING: 1589000 CPU: 4614.75, 0.00291972/step Wall: 4614.75, 0.00291972/step, 2.76643 hours remaining, 206.144531 MB of memory in use. ENERGY: 1589000 741.7378 2113.3889 1951.4380 115.6541 -205685.6160 17500.3242 0.0000 0.0000 34444.0861 -148818.9869 300.8088 -183263.0730 -148725.4305 300.2986 -107.8068 -78.8747 558702.1593 -4.0143 -3.8170 PRESSURE: 1589200 -36.6484 67.3868 -6.70896 67.3857 2.88253 -35.1132 -6.70897 -35.1131 -165.076 GPRESSURE: 1589200 -14.7825 31.0412 -95.887 147.574 44.7001 -88.1353 36.7625 -20.2044 -138.73 PRESSAVG: 1589200 16.058 -2.64165 -36.6503 -2.64168 -23.3479 33.6413 -36.6503 33.6412 24.283 GPRESSAVG: 1589200 17.5985 -5.35383 -39.0028 -1.00653 -24.0103 34.6723 -34.5592 34.6088 23.3913 TIMING: 1589200 CPU: 4615.33, 0.0029159/step Wall: 4615.33, 0.0029159/step, 2.76265 hours remaining, 206.144531 MB of memory in use. ENERGY: 1589200 750.3666 2076.8677 1937.7994 119.1260 -205457.4260 17509.8113 0.0000 0.0000 34285.4837 -148777.9714 299.4237 -183063.4551 -148683.4933 300.1736 -66.2805 -36.2707 557966.6187 5.6644 5.6598 PRESSURE: 1589400 82.2179 -155.648 -11.959 -155.647 -101.643 63.0874 -11.9574 63.0879 -338.825 GPRESSURE: 1589400 119.102 -163.006 0.29037 -172.493 -94.8353 -8.8487 -52.8837 115.882 -290.083 PRESSAVG: 1589400 -14.5373 35.9922 25.3205 35.9922 71.7312 3.92662 25.3206 3.92658 -51.0837 GPRESSAVG: 1589400 -15.1782 36.7104 26.0135 33.1795 71.8464 0.541475 24.5438 3.91142 -50.054 TIMING: 1589400 CPU: 4615.92, 0.00292577/step Wall: 4615.92, 0.00292577/step, 2.77184 hours remaining, 206.144531 MB of memory in use. ENERGY: 1589400 717.6185 2106.7076 1939.5874 118.7139 -205541.3281 17568.8425 0.0000 0.0000 34230.8865 -148858.9717 298.9468 -183089.8582 -148756.8659 299.5764 -119.4168 -88.6056 559897.8961 2.0367 2.2047 PRESSURE: 1589600 155.013 -33.1665 -127.722 -33.1672 201.527 121.312 -127.722 121.312 126.183 GPRESSURE: 1589600 218.674 16.3863 -162.484 -129.132 205.131 169.379 -117.276 34.0971 161.98 PRESSAVG: 1589600 37.6229 10.7888 30.7353 10.7889 8.70768 -68.1136 30.7354 -68.1136 7.17239 GPRESSAVG: 1589600 37.5511 11.2022 30.5188 11.2625 9.77044 -65.7148 32.2399 -68.7534 6.13926 TIMING: 1589600 CPU: 4616.51, 0.00295859/step Wall: 4616.51, 0.00295859/step, 2.80277 hours remaining, 206.144531 MB of memory in use. ENERGY: 1589600 753.3713 2092.5146 1936.5893 123.0538 -206388.9148 17991.3528 0.0000 0.0000 34544.2605 -148947.7724 301.6836 -183492.0329 -148847.4989 299.6501 160.9078 195.2614 557530.3939 17.8343 17.8203 PRESSURE: 1589800 -121.241 -160.862 58.7843 -160.864 221.952 189.893 58.7841 189.893 177.234 GPRESSURE: 1589800 -96.4868 -126.873 83.2071 -138.7 269.037 215.061 67.0412 199.121 198.034 PRESSAVG: 1589800 -50.8583 -44.303 -17.9192 -44.3029 -33.922 52.7923 -17.9192 52.7922 53.7043 GPRESSAVG: 1589800 -51.2515 -43.0441 -16.9381 -43.924 -35.3708 53.9551 -18.3989 50.2767 55.2914 TIMING: 1589800 CPU: 4617.09, 0.00289156/step Wall: 4617.09, 0.00289156/step, 2.73912 hours remaining, 206.144531 MB of memory in use. ENERGY: 1589800 718.4638 2083.1204 1982.2904 122.7592 -206002.0716 17749.2713 0.0000 0.0000 34501.0143 -148845.1521 301.3059 -183346.1664 -148750.0868 299.9208 92.6483 123.5283 557091.4976 -10.3587 -10.4437 PRESSURE: 1590000 66.4025 32.9062 -182.095 32.9055 -104.85 4.11091 -182.094 4.1124 220.889 GPRESSURE: 1590000 56.1958 34.0065 -164.668 55.9192 -78.0964 -13.9392 -214.752 -5.87129 291.783 PRESSAVG: 1590000 -4.13299 -0.358832 -18.6809 -0.358819 -61.7211 0.962228 -18.681 0.962348 52.5343 GPRESSAVG: 1590000 -4.20684 -1.03655 -17.6116 -0.127172 -60.0096 0.768575 -19.9203 1.84732 51.1945 TIMING: 1590000 CPU: 4617.67, 0.00290288/step Wall: 4617.67, 0.00290288/step, 2.74967 hours remaining, 206.144531 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: 1590000 737.3509 2106.6371 1927.1796 102.6626 -205657.1042 17722.7426 0.0000 0.0000 34210.8990 -148849.6325 298.7723 -183060.5315 -148754.4669 300.4095 60.8140 89.9609 558953.1148 -4.4399 -4.3407 PRESSURE: 1590200 -65.1818 12.6689 -23.4114 12.6703 -61.1289 -45.902 -23.412 -45.9035 -68.9721 GPRESSURE: 1590200 -36.4968 96.2432 -105.813 -68.7185 -31.0189 -57.2294 48.4709 -24.8394 -25.8361 PRESSAVG: 1590200 -2.57778 -22.3919 13.0445 -22.3919 4.88225 33.4557 13.0445 33.4556 -0.397564 GPRESSAVG: 1590200 -2.07547 -19.8889 12.3187 -22.9142 4.31679 31.9818 13.3334 33.6039 -0.691852 TIMING: 1590200 CPU: 4618.25, 0.00291517/step Wall: 4618.25, 0.00291517/step, 2.76115 hours remaining, 206.144531 MB of memory in use. ENERGY: 1590200 765.0762 2076.5269 1940.6819 110.8978 -205861.6935 17819.0758 0.0000 0.0000 34221.6164 -148927.8184 298.8659 -183149.4348 -148834.7553 299.8713 -65.0943 -31.1172 559603.2779 0.6356 0.5165 PRESSURE: 1590400 -233.319 120.432 -60.9246 120.433 -318.37 -55.5756 -60.9249 -55.576 18.1641 GPRESSURE: 1590400 -188.384 125.708 -51.196 147.097 -293.02 47.7191 -68.3312 -33.5813 47.0466 PRESSAVG: 1590400 26.979 16.2187 38.4782 16.2187 -24.7932 -41.086 38.4782 -41.086 6.90053 GPRESSAVG: 1590400 27.4008 13.586 37.6579 16.1348 -24.573 -40.166 37.954 -38.7678 6.04965 TIMING: 1590400 CPU: 4618.84, 0.00291185/step Wall: 4618.84, 0.00291185/step, 2.75785 hours remaining, 206.144531 MB of memory in use. ENERGY: 1590400 760.6738 2091.6045 1952.7114 96.0991 -205773.5180 17563.0155 0.0000 0.0000 34345.7613 -148963.6524 299.9501 -183309.4137 -148859.2018 299.9971 -177.8416 -144.7856 559054.2511 3.0288 2.9591 PRESSURE: 1590600 -8.48302 -17.0967 18.0834 -17.0967 -64.358 33.203 18.0827 33.2042 -186.458 GPRESSURE: 1590600 9.1572 47.0957 12.3489 -41.9216 -71.3795 32.309 -34.0738 40.8346 -89.1667 PRESSAVG: 1590600 -10.6204 49.7635 2.43414 49.7634 18.3802 -32.8208 2.43412 -32.8207 -35.9376 GPRESSAVG: 1590600 -11.1988 49.68 2.49269 48.7959 18.6054 -33.9912 5.26523 -34.3205 -35.1716 TIMING: 1590600 CPU: 4619.42, 0.00290865/step Wall: 4619.42, 0.00290865/step, 2.75466 hours remaining, 206.144531 MB of memory in use. ENERGY: 1590600 749.3945 2119.2762 1949.1999 150.6260 -205795.1291 17616.6884 0.0000 0.0000 34265.6853 -148944.2589 299.2508 -183209.9442 -148854.9931 300.0003 -86.4330 -50.4630 557995.8147 -9.3926 -9.2550 PRESSURE: 1590800 -145.589 -194.008 79.4725 -194.008 179.186 -93.7173 79.472 -93.7188 147.134 GPRESSURE: 1590800 -105.29 -281.493 55.7092 -84.0285 182.321 -63.0174 117.821 -71.3009 186.82 PRESSAVG: 1590800 -26.788 -45.2539 16.2681 -45.254 22.7838 1.38967 16.2681 1.38961 45.475 GPRESSAVG: 1590800 -27.1855 -48.2164 15.8255 -43.0607 23.2361 2.35993 14.3778 1.3113 45.6711 TIMING: 1590800 CPU: 4620, 0.00289463/step Wall: 4620, 0.00289463/step, 2.74122 hours remaining, 206.144531 MB of memory in use. ENERGY: 1590800 741.7860 2110.6079 1937.8655 110.8418 -205939.6701 17752.0095 0.0000 0.0000 34448.7259 -148837.8335 300.8493 -183286.5593 -148742.5928 300.3118 60.2440 87.9500 556604.7931 13.8236 13.9072 PRESSURE: 1591000 38.2031 6.44943 -87.0184 6.45123 -229.613 -27.7554 -87.0188 -27.7564 -21.6832 GPRESSURE: 1591000 55.0433 4.89612 -219.682 51.1566 -166.099 -1.88195 -59.2656 -46.5848 -11.9569 PRESSAVG: 1591000 23.1529 -22.2151 -54.3804 -22.2151 -40.162 -39.7991 -54.3804 -39.7991 -3.188 GPRESSAVG: 1591000 23.8877 -19.5419 -54.892 -22.4304 -41.5285 -40.6572 -52.489 -38.5519 -3.05164 TIMING: 1591000 CPU: 4620.57, 0.00289203/step Wall: 4620.57, 0.00289203/step, 2.73859 hours remaining, 206.144531 MB of memory in use. ENERGY: 1591000 762.6440 2104.5239 1922.2486 113.7212 -205846.9271 17677.0867 0.0000 0.0000 34439.2436 -148827.4591 300.7665 -183266.7027 -148729.5952 300.8396 -71.0309 -41.0044 556622.5895 -6.7323 -6.8975 PRESSURE: 1591200 148.055 77.5612 -160.218 77.5608 30.5537 52.97 -160.218 52.969 -376.815 GPRESSURE: 1591200 127.714 152.483 -195.846 -17.0739 -0.439612 104.049 -138.621 27.3906 -222.761 PRESSAVG: 1591200 -5.04756 -26.3044 -32.0501 -26.3043 16.0131 20.9953 -32.0502 20.9954 -1.0473 GPRESSAVG: 1591200 -4.78276 -25.362 -30.4448 -26.4469 16.366 22.9406 -34.2802 17.4305 -2.03895 TIMING: 1591200 CPU: 4621.15, 0.00288659/step Wall: 4621.15, 0.00288659/step, 2.73328 hours remaining, 206.144531 MB of memory in use. ENERGY: 1591200 763.3946 2128.4268 1965.2091 107.8066 -205932.2580 17764.7939 0.0000 0.0000 34204.7500 -148997.8770 298.7186 -183202.6270 -148899.1177 300.6230 -66.0688 -31.8288 558386.7367 3.3061 3.1814 PRESSURE: 1591400 -6.8681 -162.75 -72.5592 -162.749 -157.722 -108.219 -72.5574 -108.219 -206.423 GPRESSURE: 1591400 -11.3501 -109.797 -19.815 -120.753 -137.423 -18.5655 -82.9319 -191.047 -129.933 PRESSAVG: 1591400 38.8788 14.0053 -35.6015 14.0053 8.51026 -45.3821 -35.6015 -45.3821 -54.6599 GPRESSAVG: 1591400 38.7589 14.5311 -34.7936 12.9394 7.38562 -45.4635 -33.8973 -44.9799 -53.0755 TIMING: 1591400 CPU: 4621.73, 0.00290121/step Wall: 4621.73, 0.00290121/step, 2.74696 hours remaining, 206.144531 MB of memory in use. ENERGY: 1591400 764.8453 2029.8493 1940.4413 119.5929 -205655.7419 17693.9205 0.0000 0.0000 34193.6880 -148913.4044 298.6220 -183107.0925 -148817.8647 300.0827 -123.6711 -92.9022 558902.7709 -2.4236 -2.3103 PRESSURE: 1591600 -46.2704 104.522 64.4837 104.523 -157.22 55.4151 64.4844 55.4138 36.6815 GPRESSURE: 1591600 28.0471 40.1492 71.7874 155.234 -181.011 15.0566 -34.3324 40.8083 89.2838 PRESSAVG: 1591600 44.1764 5.66213 -24.9753 5.66205 -27.8872 -35.1647 -24.9753 -35.1646 22.6494 GPRESSAVG: 1591600 45.0428 3.71226 -24.8948 6.49941 -27.0353 -34.9085 -26.3867 -33.6746 21.2797 TIMING: 1591600 CPU: 4622.31, 0.00290079/step Wall: 4622.31, 0.00290079/step, 2.7464 hours remaining, 206.144531 MB of memory in use. ENERGY: 1591600 751.0606 2108.3676 1952.8624 112.2654 -205582.5616 17623.0661 0.0000 0.0000 34126.2819 -148908.6575 298.0333 -183034.9395 -148811.1949 299.6583 -55.6029 -21.2268 559510.2070 12.9795 13.0957 PRESSURE: 1591800 -523.429 -71.9952 194.283 -71.9955 -244.981 -177.476 194.284 -177.477 -253.363 GPRESSURE: 1591800 -426.273 -77.4635 179.786 -90.4882 -237.598 -146.761 214.491 -163.523 -265.771 PRESSAVG: 1591800 -53.5009 23.6101 -1.62884 23.61 16.5992 -13.096 -1.62871 -13.0961 17.6 GPRESSAVG: 1591800 -54.0664 24.2308 -0.799731 24.218 16.3505 -13.3037 -2.37542 -13.7 18.4236 TIMING: 1591800 CPU: 4622.89, 0.00290266/step Wall: 4622.89, 0.00290266/step, 2.74801 hours remaining, 206.144531 MB of memory in use. ENERGY: 1591800 787.2475 2086.6392 1972.6259 119.0793 -205585.0866 17408.6892 0.0000 0.0000 34279.1246 -148931.6809 299.3681 -183210.8055 -148836.8025 300.0002 -340.5910 -309.8809 558872.0479 -6.4339 -6.4308 PRESSURE: 1592000 -310.807 127.586 -60.5419 127.587 -266.163 107.383 -60.5425 107.383 -342.243 GPRESSURE: 1592000 -286.259 80.1934 -108.454 139.995 -240.721 99.135 -76.1795 70.9409 -303.294 PRESSAVG: 1592000 21.2993 36.9401 -6.41497 36.94 11.3582 -58.5994 -6.41498 -58.5994 -21.7867 GPRESSAVG: 1592000 21.7202 38.7624 -7.42095 34.8458 10.9823 -57.4906 -6.85873 -57.7686 -21.9399 TIMING: 1592000 CPU: 4623.47, 0.00287658/step Wall: 4623.47, 0.00287658/step, 2.72316 hours remaining, 206.144531 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: 1592000 807.5920 2124.8947 1972.8501 118.6280 -205664.6466 17390.5503 0.0000 0.0000 34255.0805 -148995.0509 299.1581 -183250.1314 -148899.9525 300.5372 -306.4044 -276.7580 558304.2930 3.6236 3.5875 PRESSURE: 1592200 307.158 91.9892 30.2805 91.9897 -80.0095 -97.3247 30.2793 -97.3253 -53.0559 GPRESSURE: 1592200 343.252 117.304 15.3208 34.662 -79.0874 -171.343 14.7716 -42.8743 -2.53577 PRESSAVG: 1592200 -52.8565 -24.6079 -6.82739 -24.6079 28.7314 30.847 -6.82744 30.8469 -9.107 GPRESSAVG: 1592200 -53.3554 -24.1593 -5.85037 -24.4334 29.3868 28.293 -4.36454 31.9182 -9.33331 TIMING: 1592200 CPU: 4624.05, 0.00290169/step Wall: 4624.05, 0.00290169/step, 2.74677 hours remaining, 206.144531 MB of memory in use. ENERGY: 1592200 723.9180 2085.0989 1962.4068 101.9005 -205677.9478 17565.7030 0.0000 0.0000 34337.3643 -148901.5563 299.8767 -183238.9207 -148797.5520 300.1257 58.0310 87.2096 558324.7996 -11.0774 -11.1006 LDB: ============= START OF LOAD BALANCING ============== 4627.52 LDB: ============== END OF LOAD BALANCING =============== 4627.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4627.52 LDB: ============= START OF LOAD BALANCING ============== 4627.81 LDB: Largest compute 4821 load 0.031172 is 26.5% of average load 0.117659 LDB: Average compute 0.001723 is 1.5% of average load 0.117659 LDB: TIME 4627.81 LOAD: AVG 0.117659 MAX 0.17527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.285 MB LDB: TIME 4627.81 LOAD: AVG 0.117659 MAX 0.17527 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: TIME 4627.81 LOAD: AVG 0.117659 MAX 0.17527 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4627.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4627.82 PRESSURE: 1592400 -144.878 139.014 133.438 139.015 -106.354 24.9688 133.439 24.9659 -295.666 GPRESSURE: 1592400 -59.8344 52.2993 157.589 170.332 -36.091 43.5583 164.092 77.795 -355.969 PRESSAVG: 1592400 -10.936 5.63423 7.84054 5.63421 32.0452 6.35831 7.84057 6.35815 23.2926 GPRESSAVG: 1592400 -10.8912 3.09161 7.61409 7.71842 31.5212 6.9923 7.57766 5.67511 23.5635 TIMING: 1592400 CPU: 4624.64, 0.00296062/step Wall: 4624.64, 0.00296062/step, 2.80239 hours remaining, 204.593750 MB of memory in use. ENERGY: 1592400 787.9972 2127.5188 1954.5911 116.4510 -206194.4391 17806.3516 0.0000 0.0000 34472.8987 -148928.6307 301.0604 -183401.5294 -148827.2344 299.8851 -182.2995 -150.6315 558746.8797 14.8006 14.7312 PRESSURE: 1592600 47.9891 -196.266 40.0272 -196.267 -65.0619 45.7191 40.0253 45.719 -271.458 GPRESSURE: 1592600 53.8285 -185.978 41.7544 -216.214 6.5097 95.7909 68.8064 41.658 -252.435 PRESSAVG: 1592600 12.475 -3.24904 -9.70417 -3.24905 -6.48144 17.6093 -9.70408 17.6092 -15.5532 GPRESSAVG: 1592600 11.5713 -2.02935 -11.5918 -4.90625 -4.77351 17.8359 -9.56523 16.0467 -15.8325 TIMING: 1592600 CPU: 4625.22, 0.00289283/step Wall: 4625.22, 0.00289283/step, 2.73806 hours remaining, 204.835938 MB of memory in use. ENERGY: 1592600 790.4309 2109.4707 1946.4164 105.0236 -205861.5512 17767.9727 0.0000 0.0000 34290.7300 -148851.5071 299.4695 -183142.2371 -148758.1359 300.5800 -96.1768 -64.0321 557939.2992 -3.1865 -3.0115 PRESSURE: 1592800 15.1017 -186.8 -134.566 -186.801 -137.08 -89.6472 -134.566 -89.648 -129.807 GPRESSURE: 1592800 62.2226 -89.3474 -38.3337 -215.385 -85.5877 9.02769 -187.055 -87.69 -132.304 PRESSAVG: 1592800 28.1299 -14.4788 -8.17559 -14.4788 3.03392 23.6636 -8.17567 23.6636 2.61477 GPRESSAVG: 1592800 28.0709 -15.176 -7.21538 -13.9758 3.47192 24.8458 -8.76079 22.2931 1.97266 TIMING: 1592800 CPU: 4625.8, 0.00290496/step Wall: 4625.8, 0.00290496/step, 2.74939 hours remaining, 205.074219 MB of memory in use. ENERGY: 1592800 752.9701 2151.6420 1952.0264 111.7439 -206144.3196 17808.0693 0.0000 0.0000 34388.4539 -148979.4140 300.3229 -183367.8679 -148885.2977 300.2510 -83.9286 -51.8898 558508.9338 11.2595 11.1718 PRESSURE: 1593000 -275.903 -71.7856 131.747 -71.7854 -196.621 54.4525 131.747 54.4524 -301.33 GPRESSURE: 1593000 -299.039 37.5767 144.665 -92.2492 -107.788 -6.23378 142.101 115.869 -275.744 PRESSAVG: 1593000 -4.56341 -50.4544 -46.3875 -50.4544 17.5346 5.48771 -46.3875 5.48775 -25.3661 GPRESSAVG: 1593000 -5.44977 -51.7169 -47.2171 -51.0292 17.4841 2.95318 -45.4129 7.29158 -24.6407 TIMING: 1593000 CPU: 4626.38, 0.00290719/step Wall: 4626.38, 0.00290719/step, 2.75133 hours remaining, 205.136719 MB of memory in use. ENERGY: 1593000 768.2873 2077.0473 1949.2943 122.9529 -205813.5584 17510.7588 0.0000 0.0000 34343.5846 -149041.6332 299.9311 -183385.2178 -148953.6715 300.0273 -257.9511 -227.5237 559794.2600 -4.1317 -4.2021 PRESSURE: 1593200 -116.37 41.1055 147.074 41.1061 -264.822 -24.4882 147.074 -24.4878 -44.3767 GPRESSURE: 1593200 -59.9236 76.7771 78.1026 51.6021 -228.202 21.8072 98.0581 49.652 -36.6637 PRESSAVG: 1593200 -61.8481 17.6408 52.5333 17.6409 2.39402 20.6684 52.5333 20.6684 53.0886 GPRESSAVG: 1593200 -61.3499 19.2286 52.8964 20.4441 1.04834 22.0997 52.6447 21.5318 54.5769 TIMING: 1593200 CPU: 4626.96, 0.00290559/step Wall: 4626.96, 0.00290559/step, 2.74966 hours remaining, 205.136719 MB of memory in use. ENERGY: 1593200 782.4384 2105.9967 1940.3311 125.0232 -206013.0054 17566.1753 0.0000 0.0000 34579.4904 -148913.5502 301.9913 -183493.0406 -148816.2604 300.7942 -141.8563 -108.2633 558177.6100 -2.1218 -1.9082 PRESSURE: 1593400 -24.4044 30.3712 -34.3012 30.3723 312.464 199.526 -34.3019 199.526 60.5779 GPRESSURE: 1593400 51.4641 120.142 -46.6947 89.4057 292.669 212.375 5.68146 132.389 101.819 PRESSAVG: 1593400 -18.9112 12.7614 -15.2207 12.7615 4.99612 39.4309 -15.2206 39.4308 -4.05486 GPRESSAVG: 1593400 -17.9481 11.5448 -14.6384 11.2352 4.18151 39.2263 -16.0231 37.34 -4.09089 TIMING: 1593400 CPU: 4627.55, 0.002915/step Wall: 4627.55, 0.002915/step, 2.7584 hours remaining, 205.136719 MB of memory in use. ENERGY: 1593400 744.4949 2166.3774 1955.1129 115.3594 -206528.6842 18005.1705 0.0000 0.0000 34404.6886 -149137.4805 300.4647 -183542.1690 -149041.3598 300.1668 116.2126 148.6507 557059.0277 -5.9900 -5.9525 PRESSURE: 1593600 -116.459 5.08939 -16.0702 5.0906 -194.381 73.2524 -16.0718 73.2517 -119.535 GPRESSURE: 1593600 -73.0716 11.0441 -80.9825 -77.9002 -116.674 39.8594 -6.91513 26.1111 -149.087 PRESSAVG: 1593600 8.54451 11.2307 -59.4553 11.2307 58.6229 58.5068 -59.4553 58.5068 -70.8133 GPRESSAVG: 1593600 8.45512 12.1889 -61.3839 10.7469 58.2194 56.8991 -56.8369 60.5338 -70.494 TIMING: 1593600 CPU: 4628.12, 0.00289392/step Wall: 4628.12, 0.00289392/step, 2.73829 hours remaining, 205.136719 MB of memory in use. ENERGY: 1593600 748.2568 2112.7222 1969.7397 121.0926 -206018.5240 17493.5235 0.0000 0.0000 34495.4736 -149077.7155 301.2576 -183573.1892 -148981.1897 299.4864 -143.4585 -112.9441 557274.9141 -1.2153 -1.2732 PRESSURE: 1593800 -134.379 -49.46 2.18631 -49.4595 -58.1581 -39.8023 2.18677 -39.8036 -213.89 GPRESSURE: 1593800 -75.0368 -8.80362 50.0183 -47.5925 -46.8295 -8.97884 -81.675 67.1612 -197.957 PRESSAVG: 1593800 9.53855 8.27313 -13.9362 8.27317 3.59461 19.0451 -13.9362 19.0451 22.9385 GPRESSAVG: 1593800 8.46436 7.47184 -12.6641 10.0203 4.72674 20.5415 -16.4622 20.4741 22.7747 TIMING: 1593800 CPU: 4628.71, 0.00291007/step Wall: 4628.71, 0.00291007/step, 2.75341 hours remaining, 205.136719 MB of memory in use. ENERGY: 1593800 743.3326 2060.3439 1958.1146 119.0462 -206031.7129 17624.0934 0.0000 0.0000 34467.8513 -149058.9310 301.0163 -183526.7822 -148958.4834 299.6898 -135.4758 -106.6078 557394.0374 12.0239 11.9886 PRESSURE: 1594000 207.017 99.6458 -156.539 99.6461 -71.7027 50.1497 -156.538 50.1514 -123.695 GPRESSURE: 1594000 181.615 19.6362 -150.467 116.976 -16.2711 120.404 -231.83 45.2641 -41.4959 PRESSAVG: 1594000 -40.7151 -13.3851 10.3479 -13.3851 6.7573 -32.1825 10.3478 -32.1826 59.5952 GPRESSAVG: 1594000 -40.376 -14.8144 11.7438 -12.7039 6.76667 -30.6758 9.54158 -32.8311 58.9038 TIMING: 1594000 CPU: 4629.28, 0.00288398/step Wall: 4629.28, 0.00288398/step, 2.72856 hours remaining, 205.136719 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: 1594000 784.5869 2107.2907 1964.3238 111.6123 -206064.8510 17671.4139 0.0000 0.0000 34402.7436 -149022.8797 300.4477 -183425.6234 -148925.9387 300.0946 3.8730 41.2826 556828.6615 8.5458 8.4315 PRESSURE: 1594200 -57.718 -16.0194 -105.946 -16.0189 23.7587 129.087 -105.945 129.087 -112.188 GPRESSURE: 1594200 27.0711 13.5791 -51.3109 1.91826 20.5711 116.053 -218.672 106.961 -98.0534 PRESSAVG: 1594200 -28.8769 -11.1651 -50.6992 -11.1651 -8.73303 49.0201 -50.6993 49.0201 44.2202 GPRESSAVG: 1594200 -28.7617 -9.78281 -50.1545 -14.1042 -9.6514 47.4148 -49.1775 48.7553 44.332 TIMING: 1594200 CPU: 4629.86, 0.00290241/step Wall: 4629.86, 0.00290241/step, 2.74584 hours remaining, 205.136719 MB of memory in use. ENERGY: 1594200 771.0982 2125.9286 1952.5808 117.7143 -206210.8929 17805.0298 0.0000 0.0000 34254.0758 -149184.4654 299.1494 -183438.5412 -149087.3235 300.1392 -48.7159 -16.8037 557453.0511 2.2034 1.9730 PRESSURE: 1594400 -160.494 -38.5713 83.419 -38.5708 42.6075 15.4775 83.4191 15.4798 -343.652 GPRESSURE: 1594400 -153.48 -1.6535 63.5831 -50.7677 40.2549 31.9795 122.569 7.58852 -254.789 PRESSAVG: 1594400 -35.9308 -13.0003 50.2754 -13.0003 -41.6658 47.0671 50.2754 47.0672 85.8634 GPRESSAVG: 1594400 -36.5506 -11.6462 48.5024 -11.6627 -40.3927 46.5956 50.4609 46.7753 85.8364 TIMING: 1594400 CPU: 4630.45, 0.00290564/step Wall: 4630.45, 0.00290564/step, 2.74874 hours remaining, 205.136719 MB of memory in use. ENERGY: 1594400 766.6141 2070.6388 1971.5564 120.2294 -206426.0026 17794.3857 0.0000 0.0000 34272.3968 -149430.1814 299.3094 -183702.5782 -149332.6893 298.6250 -153.8462 -122.6714 557302.0892 2.7556 2.9644 PRESSURE: 1594600 40.742 92.9736 95.5221 92.9743 72.3799 72.1086 95.5224 72.1054 101.532 GPRESSURE: 1594600 77.2175 137.059 141.289 129.283 129.816 105.017 89.8334 21.186 114.083 PRESSAVG: 1594600 -41.9648 -34.7629 41.4022 -34.7629 17.8931 51.162 41.4022 51.162 21.3012 GPRESSAVG: 1594600 -41.6034 -36.3899 42.3361 -34.6739 17.4013 50.6357 40.0514 51.0373 21.2679 TIMING: 1594600 CPU: 4631.02, 0.00288881/step Wall: 4631.02, 0.00288881/step, 2.73266 hours remaining, 205.136719 MB of memory in use. ENERGY: 1594600 792.0167 2069.1346 1951.0013 118.2750 -206655.9925 18275.9757 0.0000 0.0000 34007.7859 -149441.8033 296.9985 -183449.5892 -149348.6676 298.7046 71.5514 107.0388 558163.7360 -0.9235 -0.9781 PRESSURE: 1594800 -70.9332 -251.434 -46.6561 -251.433 3.52789 -12.1093 -46.6572 -12.1086 37.9383 GPRESSURE: 1594800 -18.907 -226.425 6.40021 -271.542 -18.078 -105.243 -207.465 -46.3335 105.038 PRESSAVG: 1594800 -2.0276 -9.77402 -12.3615 -9.77407 0.51317 9.95479 -12.3616 9.95472 -12.8345 GPRESSAVG: 1594800 -2.81427 -12.2552 -11.3592 -9.43673 0.0412738 9.52867 -12.4963 9.78511 -11.7193 TIMING: 1594800 CPU: 4631.6, 0.00287571/step Wall: 4631.6, 0.00287571/step, 2.7201 hours remaining, 205.136719 MB of memory in use. ENERGY: 1594800 767.4195 2082.3165 1948.6946 116.5539 -206504.1875 17910.9850 0.0000 0.0000 34211.3511 -149466.8670 298.7762 -183678.2181 -149372.5764 298.4537 -9.8224 22.6842 556578.7336 -4.7830 -4.8308 PRESSURE: 1595000 15.3269 -49.2034 -63.0443 -49.2025 -247.005 -81.1157 -63.0433 -81.1169 -135.648 GPRESSURE: 1595000 9.52606 -82.4655 -84.872 -4.83483 -210.263 -157.727 -25.1433 27.3575 -56.7569 PRESSAVG: 1595000 28.281 20.1235 -32.7616 20.1234 87.3658 -22.7379 -32.7616 -22.7379 -101.302 GPRESSAVG: 1595000 27.9643 22.8991 -33.8683 19.1438 88.2025 -23.4608 -31.67 -21.6906 -101.322 TIMING: 1595000 CPU: 4632.18, 0.00288746/step Wall: 4632.18, 0.00288745/step, 2.73105 hours remaining, 205.136719 MB of memory in use. ENERGY: 1595000 758.1428 2120.3199 1928.8342 123.7162 -206055.0616 17607.9009 0.0000 0.0000 34248.2681 -149267.8796 299.0986 -183516.1477 -149174.6770 298.5993 -122.4419 -85.8312 557656.6860 4.7814 4.9483 PRESSURE: 1595200 112.656 106.076 46.1236 106.076 87.3327 119.328 46.1249 119.329 99.659 GPRESSURE: 1595200 157.521 97.5693 58.8704 68.144 135.285 146.91 -19.5186 55.1702 107.426 PRESSAVG: 1595200 27.1816 -25.5301 17.243 -25.5301 -51.4468 2.68498 17.243 2.68511 -30.1009 GPRESSAVG: 1595200 27.219 -25.9191 18.1917 -25.9338 -51.1949 6.14593 17.43 0.612494 -30.5899 TIMING: 1595200 CPU: 4632.75, 0.00288252/step Wall: 4632.75, 0.00288252/step, 2.72622 hours remaining, 205.136719 MB of memory in use. ENERGY: 1595200 760.4205 2102.8104 1937.8402 106.8135 -206262.6984 17824.3408 0.0000 0.0000 34367.4809 -149162.9920 300.1398 -183530.4729 -149072.1544 299.2354 99.8827 133.4108 556393.2084 -18.1220 -18.1886 PRESSURE: 1595400 -165.902 87.2271 -85.5868 87.2266 188.883 61.2421 -85.5859 61.2408 -308.181 GPRESSURE: 1595400 -87.3603 101.766 -90.5024 6.92955 186.29 98.0438 -35.0455 20.5806 -275.948 PRESSAVG: 1595400 -12.7058 2.92885 -7.50588 2.92873 42.005 -6.04605 -7.50586 -6.04601 7.90607 GPRESSAVG: 1595400 -11.5705 2.36304 -8.9795 3.18638 41.8097 -6.24271 -8.09472 -5.01133 7.06265 TIMING: 1595400 CPU: 4633.33, 0.00289781/step Wall: 4633.33, 0.00289781/step, 2.74053 hours remaining, 205.199219 MB of memory in use. ENERGY: 1595400 741.7900 2128.8642 1926.4551 110.3017 -205997.2239 17783.9281 0.0000 0.0000 34159.9895 -149145.8953 298.3277 -183305.8848 -149048.6356 299.2715 -95.0667 -59.0062 559085.2880 12.4017 12.4339 PRESSURE: 1595600 5.42317 22.8972 -88.2592 22.8972 23.6234 -116.306 -88.2594 -116.306 -86.1294 GPRESSURE: 1595600 40.7922 32.0826 -83.1328 56.3284 55.3017 -133.365 -30.54 -104.248 -59.2189 PRESSAVG: 1595600 -4.33775 -29.8986 1.16753 -29.8985 63.1833 37.4892 1.16755 37.4891 -52.2856 GPRESSAVG: 1595600 -5.77459 -30.1838 1.8561 -28.8277 63.0081 36.2166 1.99962 39.2131 -50.602 TIMING: 1595600 CPU: 4633.91, 0.0028921/step Wall: 4633.91, 0.0028921/step, 2.73496 hours remaining, 205.199219 MB of memory in use. ENERGY: 1595600 763.4187 2149.0918 1940.8902 122.8099 -205429.0179 17437.3618 0.0000 0.0000 34055.1977 -148960.2477 297.4125 -183015.4454 -148872.3871 298.7149 -19.0276 12.2917 556035.0924 2.1866 2.2105 PRESSURE: 1595800 -162.879 14.1785 153.436 14.1781 103.394 -124.187 153.436 -124.185 -24.6235 GPRESSURE: 1595800 -165.445 31.497 228.957 22.9991 137.218 -59.3192 122.32 -120.802 28.7968 PRESSAVG: 1595800 -10.489 8.22999 0.0812907 8.22999 5.17983 -30.7187 0.0812249 -30.7187 12.0802 GPRESSAVG: 1595800 -10.8498 10.4475 0.120228 5.80524 5.1537 -32.6352 -2.48227 -30.8166 12.4955 TIMING: 1595800 CPU: 4634.49, 0.00290312/step Wall: 4634.49, 0.00290312/step, 2.74522 hours remaining, 205.199219 MB of memory in use. ENERGY: 1595800 716.2999 2109.6723 1962.0836 109.4022 -205721.8326 17503.9947 0.0000 0.0000 34474.8761 -148845.5039 301.0777 -183320.3799 -148747.7422 300.2465 -28.0362 0.1899 557651.9458 2.2570 2.2665 PRESSURE: 1596000 184.419 -9.68613 -131.64 -9.68782 93.9462 78.5929 -131.64 78.5932 33.6323 GPRESSURE: 1596000 227.692 -47.8373 -149.444 -27.0871 117.797 48.0882 -49.5211 20.2625 73.382 PRESSAVG: 1596000 45.4608 65.7454 -10.9077 65.7453 -10.45 4.53611 -10.9076 4.53597 -50.4834 GPRESSAVG: 1596000 45.617 65.0311 -10.8667 66.4581 -10.5182 6.08164 -7.30361 5.00176 -51.13 TIMING: 1596000 CPU: 4635.07, 0.00288947/step Wall: 4635.07, 0.00288947/step, 2.73215 hours remaining, 205.199219 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: 1596000 755.8838 2082.5597 1925.9189 114.0969 -206088.6658 17781.5763 0.0000 0.0000 34607.5696 -148821.0607 302.2365 -183428.6303 -148727.7352 300.2849 103.9991 139.6236 557044.5529 -5.1575 -5.3437 PRESSURE: 1596200 293.032 134.753 103.565 134.752 -126.334 56.4758 103.566 56.4774 155.381 GPRESSURE: 1596200 333.566 45.9742 75.7129 167.993 -110.102 -28.2485 175.911 104.16 190.991 PRESSAVG: 1596200 50.1192 28.9411 -9.75606 28.941 -109.936 -2.63728 -9.756 -2.63722 11.678 GPRESSAVG: 1596200 50.0805 30.1675 -10.6616 28.0757 -109.809 -3.27361 -10.2558 -3.27752 11.5392 TIMING: 1596200 CPU: 4635.65, 0.00289508/step Wall: 4635.65, 0.00289508/step, 2.7373 hours remaining, 205.199219 MB of memory in use. ENERGY: 1596200 731.2506 2089.4898 1944.9893 106.3250 -205948.4434 17833.3421 0.0000 0.0000 34198.6776 -149044.3689 298.6656 -183243.0465 -148940.9087 300.2361 107.3597 138.1517 556182.0855 -16.0463 -16.0630 LDB: ============= START OF LOAD BALANCING ============== 4639.12 LDB: ============== END OF LOAD BALANCING =============== 4639.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4639.12 LDB: ============= START OF LOAD BALANCING ============== 4639.41 LDB: Largest compute 4821 load 0.030245 is 25.7% of average load 0.117698 LDB: Average compute 0.001718 is 1.5% of average load 0.117698 LDB: TIME 4639.41 LOAD: AVG 0.117698 MAX 0.179159 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.305 MB LDB: TIME 4639.41 LOAD: AVG 0.117698 MAX 0.179159 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.375 MB LDB: TIME 4639.41 LOAD: AVG 0.117698 MAX 0.179159 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4639.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4639.42 PRESSURE: 1596400 -260.656 -22.9378 138.118 -22.9378 -171.424 63.8874 138.118 63.8879 -341.171 GPRESSURE: 1596400 -215 -7.86622 218.503 -25.5206 -132.099 9.80712 133.829 41.912 -326.857 PRESSAVG: 1596400 -5.06647 44.7714 -23.4451 44.7714 13.7182 -17.2516 -23.4451 -17.2516 7.22655 GPRESSAVG: 1596400 -5.36868 41.3204 -21.1521 47.3211 13.7317 -16.5926 -25.2849 -16.748 7.62654 TIMING: 1596400 CPU: 4636.24, 0.0029716/step Wall: 4636.24, 0.0029716/step, 2.80948 hours remaining, 205.160156 MB of memory in use. ENERGY: 1596400 739.2493 2073.2432 1955.7955 121.4444 -205762.4805 17501.2331 0.0000 0.0000 34303.6564 -149067.8586 299.5824 -183371.5150 -148963.8241 299.6170 -257.7502 -224.6522 557415.2102 5.2928 5.3298 PRESSURE: 1596600 -25.1614 89.5657 -38.2036 89.5665 57.0427 64.6887 -38.2032 64.6879 310.981 GPRESSURE: 1596600 -33.3719 54.5317 -91.502 66.0877 95.6335 89.05 60.3495 74.7965 382.554 PRESSAVG: 1596600 -0.0528512 -1.46183 -7.711 -1.46184 1.25591 16.2054 -7.71091 16.2054 20.5034 GPRESSAVG: 1596600 0.387238 1.31025 -9.49284 -3.49348 0.3251 15.8038 -8.17179 15.3004 20.6571 TIMING: 1596600 CPU: 4636.82, 0.00291108/step Wall: 4636.82, 0.00291108/step, 2.7521 hours remaining, 205.488281 MB of memory in use. ENERGY: 1596600 737.0726 2100.9074 1932.6636 117.9951 -206461.4459 17907.4210 0.0000 0.0000 34392.9970 -149272.3892 300.3626 -183665.3862 -149177.6801 299.6860 114.2875 148.2719 555269.9625 7.2355 7.1231 PRESSURE: 1596800 175.86 115.741 207.854 115.741 -83.6828 34.2813 207.856 34.2822 32.5632 GPRESSURE: 1596800 210.807 234.337 175.792 128.573 -43.7561 77.5397 240.781 76.7474 46.5503 PRESSAVG: 1596800 2.43191 19.7349 -15.456 19.7349 10.7118 24.6753 -15.456 24.6752 -10.0129 GPRESSAVG: 1596800 2.48834 17.4747 -13.4046 22.5366 10.5125 24.4886 -14.8924 23.6556 -9.51621 TIMING: 1596800 CPU: 4637.4, 0.00288931/step Wall: 4637.4, 0.00288931/step, 2.73137 hours remaining, 205.488281 MB of memory in use. ENERGY: 1596800 738.2539 2126.3762 1945.7694 107.6537 -206202.9442 17721.6572 0.0000 0.0000 34355.9659 -149207.2679 300.0392 -183563.2338 -149109.5734 299.6302 41.5801 71.2005 555387.7995 1.0436 1.1615 PRESSURE: 1597000 -139.86 -87.0475 17.1213 -87.0484 -26.0625 61.9723 17.1212 61.9726 -130.856 GPRESSURE: 1597000 -110.785 -108.843 -10.7236 -40.9633 14.0911 48.2284 -28.028 95.0013 -108.103 PRESSAVG: 1597000 77.7699 10.2592 16.9609 10.2593 1.13132 -16.4849 16.961 -16.4849 -21.2611 GPRESSAVG: 1597000 77.9292 10.6381 15.6427 9.79243 2.41385 -15.2224 18.1575 -15.3664 -22.5632 TIMING: 1597000 CPU: 4637.98, 0.00289317/step Wall: 4637.98, 0.00289317/step, 2.73485 hours remaining, 205.488281 MB of memory in use. ENERGY: 1597000 765.8423 2107.7949 1991.0859 111.4951 -206273.9391 17803.2655 0.0000 0.0000 34162.1908 -149332.2645 298.3469 -183494.4554 -149235.5934 299.3902 -98.9262 -68.2658 556561.7487 19.2134 19.2599 PRESSURE: 1597200 95.6181 -69.4139 -37.4344 -69.4135 71.548 65.6223 -37.4345 65.6239 81.1217 GPRESSURE: 1597200 174.112 -92.523 -88.4338 -75.9132 62.4782 38.0781 -28.4843 23.0453 112.117 PRESSAVG: 1597200 21.5147 -32.182 12.4751 -32.1819 52.2213 31.491 12.4751 31.4911 5.21929 GPRESSAVG: 1597200 20.3848 -31.4835 10.5564 -34.1415 52.241 31.2835 12.9796 32.0077 6.52568 TIMING: 1597200 CPU: 4638.56, 0.00288952/step Wall: 4638.56, 0.00288952/step, 2.73124 hours remaining, 205.488281 MB of memory in use. ENERGY: 1597200 799.6790 2053.2316 1975.5741 112.0042 -206033.2828 17972.0789 0.0000 0.0000 33961.8145 -149158.9004 296.5970 -183120.7150 -149063.0925 299.5587 82.7626 116.2358 556774.9824 26.3184 26.3838 PRESSURE: 1597400 -48.3934 -101.288 -58.712 -101.288 -137.272 -145.886 -58.7118 -145.885 25.3041 GPRESSURE: 1597400 -6.58372 -60.165 -68.1404 -108.729 -89.1245 -134.813 -63.9721 -110.886 24.3632 PRESSAVG: 1597400 -16.6681 24.5232 -17.1844 24.5231 3.03112 -21.0012 -17.1845 -21.0013 -31.5918 GPRESSAVG: 1597400 -15.7909 23.4432 -17.0004 25.4749 2.93408 -23.9815 -19.075 -20.5421 -31.9409 TIMING: 1597400 CPU: 4639.14, 0.00290636/step Wall: 4639.14, 0.00290636/step, 2.747 hours remaining, 205.488281 MB of memory in use. ENERGY: 1597400 761.0149 2112.2733 1942.1279 118.8442 -206248.7271 17843.5498 0.0000 0.0000 34210.4391 -149260.4780 298.7683 -183470.9171 -149165.7550 298.1978 -53.4539 -23.7817 556567.7453 -15.0763 -14.9326 PRESSURE: 1597600 -10.9315 -64.6132 15.1465 -64.613 166.473 -94.7108 15.1467 -94.7101 104.259 GPRESSURE: 1597600 77.8477 -15.0844 -5.35184 -58.4668 157.202 -39.6549 -12.1526 -125.076 115.47 PRESSAVG: 1597600 21.8695 -4.17734 19.7213 -4.17733 -12.105 14.2862 19.7213 14.2861 -28.4741 GPRESSAVG: 1597600 21.974 -4.06737 18.7485 -4.55791 -11.5984 15.8286 20.8698 13.1399 -29.2729 TIMING: 1597600 CPU: 4639.72, 0.00290593/step Wall: 4639.72, 0.00290593/step, 2.74643 hours remaining, 205.488281 MB of memory in use. ENERGY: 1597600 728.6795 2127.3437 1991.0824 116.9594 -206390.4868 17937.8636 0.0000 0.0000 34259.9834 -149228.5748 299.2010 -183488.5581 -149133.8324 299.3990 86.6000 116.8401 557034.4216 -6.2365 -6.2991 PRESSURE: 1597800 -259.851 45.6011 -128.223 45.6015 62.0569 258.253 -128.223 258.252 -92.6767 GPRESSURE: 1597800 -200.298 67.453 -173.537 90.1807 95.4151 350.23 -148.545 228.828 -88.741 PRESSAVG: 1597800 31.6942 -76.9384 34.7697 -76.9385 -4.14984 44.2068 34.7697 44.2068 -31.6524 GPRESSAVG: 1597800 31.7177 -75.3021 36.2847 -78.1689 -5.43596 45.5418 32.741 45.7666 -30.4097 TIMING: 1597800 CPU: 4640.3, 0.00288759/step Wall: 4640.3, 0.00288759/step, 2.72894 hours remaining, 205.488281 MB of memory in use. ENERGY: 1597800 760.4166 2116.4570 1954.1035 115.9264 -206151.2940 17777.7862 0.0000 0.0000 34212.9618 -149213.6426 298.7903 -183426.6044 -149122.5774 298.8602 -96.8237 -64.5414 557464.3432 -1.3693 -1.3760 PRESSURE: 1598000 -15.4904 125.001 144.184 125.001 231.211 -1.8363 144.184 -1.83453 -95.5454 GPRESSURE: 1598000 42.4848 127.691 99.4384 89.5058 222.057 133.72 192.427 -85.2981 -49.0522 PRESSAVG: 1598000 11.1742 -48.741 -8.99271 -48.7409 27.102 18.9982 -8.99274 18.9982 -18.1973 GPRESSAVG: 1598000 11.5377 -49.236 -8.47158 -47.4782 27.3246 17.3376 -7.74355 16.6449 -18.6742 TIMING: 1598000 CPU: 4640.87, 0.00287968/step Wall: 4640.87, 0.00287968/step, 2.72129 hours remaining, 205.488281 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: 1598000 767.6892 2113.6938 1956.5079 113.0144 -205989.4933 17719.3771 0.0000 0.0000 34166.5192 -149152.6917 298.3847 -183319.2108 -149066.0876 299.6057 40.0584 71.8300 556185.2276 6.6930 6.7294 PRESSURE: 1598200 -361.699 105.523 -66.9726 105.523 -365.327 26.8177 -66.9739 26.8182 -398.169 GPRESSURE: 1598200 -327.477 87.1561 47.9271 83.0967 -341.635 65.4992 -113.992 -9.19056 -369.588 PRESSAVG: 1598200 -4.56428 28.3661 1.46545 28.366 10.855 -38.9273 1.4654 -38.9273 -20.6156 GPRESSAVG: 1598200 -4.81811 28.1275 2.13579 27.874 11.6785 -39.6545 2.22825 -38.1002 -20.9964 TIMING: 1598200 CPU: 4641.46, 0.0029223/step Wall: 4641.46, 0.0029223/step, 2.76141 hours remaining, 205.488281 MB of memory in use. ENERGY: 1598200 771.8368 2051.1489 1972.1340 121.4782 -205875.6884 17291.5228 0.0000 0.0000 34436.7367 -149230.8310 300.7446 -183667.5678 -149136.7625 300.1560 -375.0652 -346.2332 559049.2350 -4.7750 -4.7120 PRESSURE: 1598400 -79.8104 -87.9789 30.9526 -87.9793 -341.386 -83.4442 30.9518 -83.4455 -304.617 GPRESSURE: 1598400 -102.873 -168.842 169.767 -95.148 -322.18 -95.4524 9.42665 -90.0741 -206.009 PRESSAVG: 1598400 26.7349 -7.4696 -39.4542 -7.46961 -18.116 -69.1696 -39.4542 -69.1696 -51.1779 GPRESSAVG: 1598400 27.7107 -6.13739 -38.738 -7.89033 -19.1032 -70.0553 -40.0763 -66.6253 -50.7404 TIMING: 1598400 CPU: 4642.03, 0.00287658/step Wall: 4642.03, 0.00287658/step, 2.71805 hours remaining, 205.488281 MB of memory in use. ENERGY: 1598400 778.3818 2046.2704 1972.2163 109.6287 -206064.8806 17667.4456 0.0000 0.0000 34231.0311 -149259.9068 298.9481 -183490.9379 -149161.0666 299.4028 -241.9377 -210.3541 559181.0036 -14.1863 -14.0443 PRESSURE: 1598600 -65.8213 -84.7613 -161.339 -84.7608 -154.409 68.0642 -161.339 68.0631 11.1761 GPRESSURE: 1598600 -54.2514 -73.5371 -158.737 -91.5721 -113.007 49.2304 -93.9758 3.43082 54.6294 PRESSAVG: 1598600 -32.0002 39.366 29.9008 39.366 19.9411 14.1212 29.9007 14.1212 16.7709 GPRESSAVG: 1598600 -33.782 38.84 29.793 41.4383 21.2333 15.9901 27.6224 12.4441 17.1913 TIMING: 1598600 CPU: 4642.61, 0.00287379/step Wall: 4642.61, 0.00287379/step, 2.71525 hours remaining, 205.488281 MB of memory in use. ENERGY: 1598600 774.6726 2147.2164 1939.9826 108.2908 -206080.4054 17734.2838 0.0000 0.0000 34094.6098 -149281.3494 297.7567 -183375.9591 -149185.7114 299.1756 -69.6847 -37.5430 557565.0923 1.5706 1.5475 PRESSURE: 1598800 305.914 62.1672 -61.4191 62.1685 471.939 -32.3618 -61.4185 -32.3627 453.906 GPRESSURE: 1598800 385.703 -4.18982 -26.5033 107.196 478.356 62.0164 -128.523 -90.1623 461.21 PRESSAVG: 1598800 24.8261 -0.84429 48.5578 -0.844314 -3.5373 34.722 48.5578 34.7219 -6.22451 GPRESSAVG: 1598800 25.0577 -1.21716 47.9907 -1.46478 -3.72868 33.9912 50.1147 35.0996 -5.91693 TIMING: 1598800 CPU: 4643.19, 0.0028863/step Wall: 4643.19, 0.0028863/step, 2.72691 hours remaining, 205.488281 MB of memory in use. ENERGY: 1598800 720.7050 2037.9886 1940.5911 112.6971 -207190.2634 18543.3544 0.0000 0.0000 34399.5357 -149435.3916 300.4197 -183834.9273 -149341.6023 298.6483 410.5862 441.7564 556100.2244 5.0214 5.1374 PRESSURE: 1599000 -312.323 -212.751 -141.577 -212.752 -48.3814 49.3837 -141.578 49.3828 84.0951 GPRESSURE: 1599000 -259.676 -198.35 -126.088 -143.781 -5.87284 150.837 -123.226 -27.9698 66.5862 PRESSAVG: 1599000 -58.9533 -23.7119 8.88406 -23.7119 35.6476 2.67055 8.88412 2.6706 41.4603 GPRESSAVG: 1599000 -59.2193 -23.3106 7.30164 -24.1123 35.6342 4.4614 10.0769 2.63954 41.7022 TIMING: 1599000 CPU: 4643.76, 0.00288471/step Wall: 4643.76, 0.00288471/step, 2.72525 hours remaining, 205.488281 MB of memory in use. ENERGY: 1599000 704.7202 2126.0110 1969.2784 110.6269 -206426.4639 17812.1743 0.0000 0.0000 34278.9662 -149424.6869 299.3667 -183703.6530 -149333.6885 298.6769 -92.2032 -66.3210 557092.9334 6.0515 6.0390 PRESSURE: 1599200 -251.591 236.104 -47.6709 236.102 20.2881 -0.636996 -47.6719 -0.635943 105.013 GPRESSURE: 1599200 -204.709 253.496 29.3102 127.796 31.6338 121.511 -134.896 -64.5392 158.771 PRESSAVG: 1599200 -30.212 -48.1958 27.8332 -48.1958 25.4492 18.2119 27.8332 18.2118 50.1819 GPRESSAVG: 1599200 -30.372 -46.9473 29.8033 -49.2799 24.5758 19.1006 27.6658 17.4514 51.1697 TIMING: 1599200 CPU: 4644.34, 0.00287457/step Wall: 4644.34, 0.00287457/step, 2.71551 hours remaining, 205.558594 MB of memory in use. ENERGY: 1599200 734.9020 2104.8181 1954.7046 121.9173 -206207.5699 17797.5994 0.0000 0.0000 34165.1950 -149328.4335 298.3731 -183493.6285 -149227.9133 298.8365 -42.0965 -4.7681 557214.8315 15.1397 15.1245 PRESSURE: 1599400 129.751 -3.37702 -131.731 -3.37782 -67.7419 -107.222 -131.731 -107.223 -62.5363 GPRESSURE: 1599400 126.782 -16.7981 -100.547 27.191 6.1775 -135.625 -128.716 -21.314 -36.1493 PRESSAVG: 1599400 -52.1715 34.3712 13.5833 34.3713 36.5196 -22.3431 13.5833 -22.3432 32.2214 GPRESSAVG: 1599400 -52.7249 34.0155 13.9508 33.7245 37.8672 -23.0059 11.3889 -22.155 31.0198 TIMING: 1599400 CPU: 4644.91, 0.00287651/step Wall: 4644.91, 0.00287651/step, 2.71719 hours remaining, 205.558594 MB of memory in use. ENERGY: 1599400 737.3467 2117.3519 1972.5807 116.4298 -206585.2188 17790.8265 0.0000 0.0000 34373.2791 -149477.4041 300.1904 -183850.6832 -149381.1773 298.8414 -0.1757 32.2700 557173.0083 5.5232 5.3874 PRESSURE: 1599600 -263.14 -97.4976 7.04916 -97.4965 -275.167 -18.3939 7.04824 -18.3932 -353.645 GPRESSURE: 1599600 -275.058 -117.258 35.4324 -29.5924 -211.125 7.98675 -8.44453 -78.8045 -310.824 PRESSAVG: 1599600 -23.8997 -3.27139 23.052 -3.27135 22.6504 -18.7446 23.052 -18.7446 -9.68974 GPRESSAVG: 1599600 -22.8854 -4.19273 23.0627 -2.286 20.6312 -18.4789 23.0308 -20.2027 -8.8236 TIMING: 1599600 CPU: 4645.49, 0.00288446/step Wall: 4645.49, 0.00288446/step, 2.72453 hours remaining, 205.558594 MB of memory in use. ENERGY: 1599600 751.0157 2101.6435 1948.6676 121.8907 -205908.2775 17484.1120 0.0000 0.0000 34119.5274 -149381.4207 297.9743 -183500.9481 -149285.4516 298.6686 -297.3174 -265.6689 558529.3309 -3.6463 -3.6926 PRESSURE: 1599800 -177.914 -68.3132 93.7991 -68.3124 -155.624 -134.579 93.7989 -134.578 164.699 GPRESSURE: 1599800 -108.325 26.0357 21.5585 -116.306 -138.203 -122.428 92.5972 -148.299 179.177 PRESSAVG: 1599800 -13.8608 -25.4311 -17.8669 -25.4311 39.4348 -27.8857 -17.867 -27.8858 29.0403 GPRESSAVG: 1599800 -14.5817 -23.86 -17.9646 -25.3802 40.5419 -27.5137 -16.2141 -25.4688 28.2797 TIMING: 1599800 CPU: 4646.07, 0.00288294/step Wall: 4646.07, 0.00288294/step, 2.72294 hours remaining, 205.558594 MB of memory in use. ENERGY: 1599800 751.0885 2135.3298 1955.2567 119.7183 -206443.7401 17978.5518 0.0000 0.0000 34131.5247 -149372.2703 298.0791 -183503.7950 -149269.1943 298.8013 -56.2799 -22.4503 557950.2308 18.2048 18.0800 PRESSURE: 1600000 150.461 -12.9726 -232.452 -12.9717 -43.9899 -15.3054 -232.451 -15.3034 12.3396 GPRESSURE: 1600000 140.321 55.1207 -292.326 -79.3089 31.445 0.663235 -149.861 25.034 29.5805 PRESSAVG: 1600000 -51.7696 35.0277 1.16575 35.0277 21.2778 -94.3865 1.16581 -94.3864 58.993 GPRESSAVG: 1600000 -50.2467 33.8755 0.822428 34.3959 20.8764 -93.4105 -0.273103 -95.7456 57.9465 TIMING: 1600000 CPU: 4646.65, 0.00290818/step Wall: 4646.65, 0.00290818/step, 2.74662 hours remaining, 205.558594 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: 1600000 715.7839 2090.1002 1923.9370 106.7918 -206067.5629 17804.1089 0.0000 0.0000 33992.5366 -149434.3045 296.8653 -183426.8412 -149343.5398 298.0925 39.6035 67.1156 558520.5176 9.5004 9.5254 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1600200 389.127 -179.594 36.8459 -179.596 268.808 106.121 36.8466 106.12 369.827 GPRESSURE: 1600200 390.769 -113.552 53.3996 -202.017 302.819 132.266 30.1461 119.223 432.74 PRESSAVG: 1600200 16.458 -1.89145 35.217 -1.89149 -62.6225 12.2228 35.2168 12.2229 -7.84058 GPRESSAVG: 1600200 14.4884 -0.717551 34.0916 -1.10237 -63.2102 13.1434 39.0677 13.7367 -5.29021 TIMING: 1600200 CPU: 4647.3, 0.003255/step Wall: 4647.3, 0.003255/step, 3.07398 hours remaining, 205.683594 MB of memory in use. ENERGY: 1600200 726.8468 2103.7514 1953.2858 113.5161 -206780.6746 18339.7058 0.0000 0.0000 34177.3202 -149366.2485 298.4790 -183543.5687 -149284.7758 298.6213 342.5874 375.4427 555983.0769 -18.0017 -18.0040 LDB: ============= START OF LOAD BALANCING ============== 4650.76 LDB: ============== END OF LOAD BALANCING =============== 4650.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4650.77 LDB: ============= START OF LOAD BALANCING ============== 4651.05 LDB: Largest compute 4821 load 0.029792 is 25.3% of average load 0.117732 LDB: Average compute 0.001722 is 1.5% of average load 0.117732 LDB: TIME 4651.06 LOAD: AVG 0.117732 MAX 0.177077 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.219 MB LDB: TIME 4651.06 LOAD: AVG 0.117732 MAX 0.177077 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: TIME 4651.06 LOAD: AVG 0.117732 MAX 0.177077 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4651.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4651.06 PRESSURE: 1600400 -22.9616 -42.276 -95.8113 -42.2758 -60.8397 8.09909 -95.8123 8.10037 -40.4506 GPRESSURE: 1600400 -0.955879 1.56983 -218.875 -84.7813 -43.3535 -29.7018 -44.9424 -2.11804 24.003 PRESSAVG: 1600400 -28.2158 -3.59502 8.71932 -3.59504 69.392 61.8399 8.71926 61.84 -52.3423 GPRESSAVG: 1600400 -28.2467 -5.82035 10.012 -3.52414 71.0297 59.0541 5.96197 59.6254 -54.0442 TIMING: 1600400 CPU: 4647.89, 0.00294503/step Wall: 4647.89, 0.00294503/step, 2.78109 hours remaining, 205.164062 MB of memory in use. ENERGY: 1600400 719.9059 2045.4151 1965.0423 125.7264 -206600.3661 17925.6910 0.0000 0.0000 34457.1159 -149361.4696 300.9226 -183818.5855 -149260.2774 298.0980 -41.4173 -6.7688 558538.3678 -3.7220 -3.7537 PRESSURE: 1600600 373.818 19.5122 -116.757 19.5132 33.1903 111.442 -116.756 111.444 35.1116 GPRESSURE: 1600600 400.403 30.2782 -52.8339 80.624 51.66 153.921 -199.42 55.3752 68.6451 PRESSAVG: 1600600 -26.5413 15.9252 -27.715 15.9252 25.5546 92.8274 -27.7151 92.8274 17.5505 GPRESSAVG: 1600600 -25.2342 15.0378 -27.2302 18.8872 24.3096 92.6833 -27.309 94.6295 17.6289 TIMING: 1600600 CPU: 4648.47, 0.00289302/step Wall: 4648.47, 0.00289302/step, 2.73182 hours remaining, 205.726562 MB of memory in use. ENERGY: 1600600 701.5877 2150.8884 1972.6604 120.8158 -206246.3590 17857.2918 0.0000 0.0000 34117.0857 -149326.0291 297.9530 -183443.1148 -149228.2365 298.8729 147.3734 173.5695 555618.2838 5.5213 5.5681 PRESSURE: 1600800 -13.004 -36.8728 -80.2458 -36.8741 15.7959 49.4184 -80.2465 49.4183 88.8196 GPRESSURE: 1600800 15.6504 -33.9797 -82.0638 -66.5285 71.6058 13.9684 -103.157 29.1397 102.248 PRESSAVG: 1600800 19.565 27.1905 -16.8142 27.1904 47.6022 -10.3927 -16.8142 -10.3927 -52.097 GPRESSAVG: 1600800 17.6308 28.1133 -18.7833 25.5791 47.5126 -9.60766 -17.0984 -11.3239 -50.0146 TIMING: 1600800 CPU: 4649.05, 0.00290466/step Wall: 4649.05, 0.00290466/step, 2.74264 hours remaining, 205.773438 MB of memory in use. ENERGY: 1600800 711.8442 2044.6450 1941.6714 104.9126 -205990.2336 17753.8248 0.0000 0.0000 34192.2605 -149241.0751 298.6095 -183433.3356 -149142.2076 298.8075 30.5372 63.1682 556912.7899 5.0234 5.0430 PRESSURE: 1601000 -159.659 80.5706 -13.0457 80.5709 -216.717 -139.071 -13.0452 -139.07 -179.273 GPRESSURE: 1601000 -88.7107 87.4266 16.1032 119.158 -184.53 -22.3638 14.5425 -172.398 -174.988 PRESSAVG: 1601000 -53.7487 5.80186 -32.877 5.80191 57.539 -12.3953 -32.877 -12.3954 -43.9103 GPRESSAVG: 1601000 -52.9918 6.36756 -32.2944 2.40385 58.5295 -14.0736 -32.1989 -10.0169 -45.534 TIMING: 1601000 CPU: 4649.63, 0.00292637/step Wall: 4649.63, 0.00292637/step, 2.76298 hours remaining, 205.773438 MB of memory in use. ENERGY: 1601000 718.3111 2070.0385 1937.4862 120.2680 -205890.4743 17577.3642 0.0000 0.0000 34257.1297 -149209.8766 299.1760 -183467.0063 -149109.6896 298.6252 -185.2162 -149.4099 558041.0187 -13.3733 -13.3321 PRESSURE: 1601200 181.517 3.51831 -100.165 3.51845 137.763 16.9796 -100.163 16.9786 308.366 GPRESSURE: 1601200 199.809 -78.6848 -39.2524 127.67 133.07 -17.4766 -45.8592 34.7714 382.966 PRESSAVG: 1601200 -24.8108 -30.9589 -13.4122 -30.959 31.8789 27.3226 -13.4121 27.3227 12.464 GPRESSAVG: 1601200 -24.269 -31.2537 -12.0799 -28.6163 30.983 29.8743 -12.4197 25.0776 13.2072 TIMING: 1601200 CPU: 4650.21, 0.00290237/step Wall: 4650.21, 0.00290237/step, 2.74016 hours remaining, 205.773438 MB of memory in use. ENERGY: 1601200 751.4148 2163.4033 1940.6663 123.5676 -206313.4722 17932.4096 0.0000 0.0000 34350.5065 -149051.5041 299.9915 -183402.0106 -148963.4285 299.9102 209.2152 238.6152 556119.3055 6.5107 6.6404 PRESSURE: 1601400 -28.4285 115.822 164.475 115.823 349.622 -30.2711 164.474 -30.2716 154.882 GPRESSURE: 1601400 28.8762 127.651 159.199 28.5144 382.753 -14.3939 137.439 -49.9043 151.84 PRESSAVG: 1601400 -72.9152 -21.1574 17.6794 -21.1575 14.0683 -1.03772 17.6795 -1.03769 61.503 GPRESSAVG: 1601400 -71.3428 -22.8756 17.4412 -20.3747 13.5208 -2.13952 16.6189 -1.2916 60.7399 TIMING: 1601400 CPU: 4650.79, 0.00289284/step Wall: 4650.79, 0.00289284/step, 2.731 hours remaining, 205.773438 MB of memory in use. ENERGY: 1601400 759.4196 2137.1984 1979.5333 125.0543 -206293.4961 17943.0451 0.0000 0.0000 34423.3836 -148925.8617 300.6280 -183349.2453 -148835.5694 299.6684 158.6919 187.8229 557247.3108 0.8854 0.9726 PRESSURE: 1601600 45.0399 86.3856 169.94 86.3849 -16.4334 42.6824 169.94 42.6832 185.521 GPRESSURE: 1601600 47.9393 35.1556 140.435 80.2526 18.8406 13.4513 202.028 22.9698 240.762 PRESSAVG: 1601600 -17.0453 25.8326 64.1008 25.8326 -46.1692 26.4433 64.1008 26.4434 70.4501 GPRESSAVG: 1601600 -18.3519 26.5103 65.5331 24.2874 -44.8845 25.9326 63.1302 27.522 70.4242 TIMING: 1601600 CPU: 4651.37, 0.00290063/step Wall: 4651.37, 0.00290063/step, 2.73819 hours remaining, 205.773438 MB of memory in use. ENERGY: 1601600 731.5207 2107.5400 1956.4734 116.2845 -206236.5197 17875.7682 0.0000 0.0000 34479.5301 -148969.4028 301.1183 -183448.9329 -148867.2365 299.5213 71.3757 102.5140 557701.9475 2.4119 2.3959 PRESSURE: 1601800 -100.626 99.3474 -103.128 99.3467 -38.175 65.6271 -103.129 65.6274 -93.4719 GPRESSURE: 1601800 -77.6093 107.483 -76.0069 22.0574 -26.9186 164.7 -160.056 -79.3198 -25.2321 PRESSAVG: 1601800 -3.37995 53.0167 57.1329 53.0167 0.913611 7.72996 57.1329 7.73003 -18.2654 GPRESSAVG: 1601800 -3.21386 52.2884 55.0331 55.1435 0.513974 9.73146 57.8109 6.48677 -18.0527 TIMING: 1601800 CPU: 4651.96, 0.00293314/step Wall: 4651.96, 0.00293314/step, 2.76873 hours remaining, 205.773438 MB of memory in use. ENERGY: 1601800 753.1455 2133.2754 1928.9793 106.8028 -205840.1960 17708.9226 0.0000 0.0000 34362.3365 -148846.7339 300.0948 -183209.0704 -148748.3672 299.8735 -77.4245 -43.2533 558119.6347 -6.9106 -6.9175 PRESSURE: 1602000 318.509 120.076 20.9245 120.076 -39.9444 -15.0161 20.9245 -15.0167 -3.73265 GPRESSURE: 1602000 380.247 12.6084 29.1062 175.724 -36.8544 -20.4668 28.8186 -30.7983 31.604 PRESSAVG: 1602000 -13.2664 -19.7013 22.7122 -19.7012 38.1288 55.1482 22.7123 55.1482 -53.2597 GPRESSAVG: 1602000 -12.9934 -18.3542 24.7805 -20.9724 37.1105 54.7004 22.1665 54.161 -52.5331 TIMING: 1602000 CPU: 4652.53, 0.00285899/step Wall: 4652.53, 0.00285899/step, 2.69856 hours remaining, 205.773438 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: 1602000 759.3463 2093.9125 1962.8181 92.5216 -205954.1418 17970.1996 0.0000 0.0000 34126.1135 -148949.2303 298.0318 -183075.3438 -148853.4019 300.8593 91.6105 124.9987 557851.0900 -9.4657 -9.4720 PRESSURE: 1602200 40.0988 -77.2887 -160.315 -77.2881 120.559 -26.0486 -160.315 -26.0493 127.584 GPRESSURE: 1602200 60.8715 -119.975 -161.62 -49.6578 128.134 24.5754 -160.804 -15.2701 195.693 PRESSAVG: 1602200 32.4955 -0.546228 -6.30335 -0.54617 -4.70315 18.757 -6.3033 18.757 -58.6587 GPRESSAVG: 1602200 32.8327 -0.772928 -7.36507 -0.631131 -5.04999 18.4631 -5.23324 19.7065 -58.672 TIMING: 1602200 CPU: 4653.11, 0.00289536/step Wall: 4653.11, 0.00289536/step, 2.73273 hours remaining, 205.773438 MB of memory in use. ENERGY: 1602200 758.2872 2097.7019 1945.9502 103.9945 -206079.4478 17919.3658 0.0000 0.0000 34247.7644 -149006.3838 299.0942 -183254.1482 -148911.5921 300.2929 96.0807 128.2330 557448.6876 -10.2888 -10.2964 PRESSURE: 1602400 131.994 173.618 83.2577 173.619 -108.225 -127.041 83.2583 -127.04 72.295 GPRESSURE: 1602400 173.763 150.533 109.153 137.826 -47.861 -111.617 100.236 -111.859 80.6964 PRESSAVG: 1602400 24.7984 -29.3804 65.5381 -29.3804 -59.1221 -78.6988 65.5382 -78.6988 43.6468 GPRESSAVG: 1602400 22.4397 -30.3086 64.4225 -28.1822 -56.0846 -80.3267 65.291 -77.7903 42.8407 TIMING: 1602400 CPU: 4653.69, 0.00288304/step Wall: 4653.69, 0.00288304/step, 2.72095 hours remaining, 205.773438 MB of memory in use. ENERGY: 1602400 750.9812 2089.5983 1948.3274 108.4094 -206223.1976 17856.1163 0.0000 0.0000 34439.9297 -149029.8354 300.7725 -183469.7650 -148936.2381 299.9958 32.0215 68.8660 556859.6775 3.1077 3.0653 PRESSURE: 1602600 60.492 -68.3918 -10.8764 -68.39 80.1274 -147.793 -10.8761 -147.792 5.98695 GPRESSURE: 1602600 129.958 -56.2736 -43.4993 -84.4157 80.0522 -132.737 38.452 -149.1 29.6715 PRESSAVG: 1602600 4.23626 -15.8175 28.1376 -15.8175 -19.7179 -21.7067 28.1376 -21.7066 60.5812 GPRESSAVG: 1602600 6.50479 -14.74 29.3622 -15.9389 -22.7973 -20.1862 26.6931 -21.6394 61.1774 TIMING: 1602600 CPU: 4654.27, 0.00289415/step Wall: 4654.27, 0.00289415/step, 2.73127 hours remaining, 205.773438 MB of memory in use. ENERGY: 1602600 759.5356 2042.8460 1950.3215 117.6242 -206426.1361 18015.5462 0.0000 0.0000 34265.0786 -149275.1840 299.2455 -183540.2626 -149174.8629 299.3007 48.8688 79.8939 557618.1535 15.0332 14.9616 PRESSURE: 1602800 -59.1325 -137.809 -62.5003 -137.809 31.1935 59.5507 -62.5012 59.5501 83.6724 GPRESSURE: 1602800 -19.3542 -53.0499 -36.9268 -146.841 66.2064 38.78 -12.2136 -53.1879 99.5375 PRESSAVG: 1602800 -96.3215 21.3572 -4.39586 21.3572 59.0847 1.23656 -4.39586 1.23649 35.4006 GPRESSAVG: 1602800 -96.5368 20.5599 -4.83305 20.8847 59.0783 1.13778 -4.13428 0.707401 35.9478 TIMING: 1602800 CPU: 4654.84, 0.00289232/step Wall: 4654.84, 0.00289232/step, 2.72939 hours remaining, 205.773438 MB of memory in use. ENERGY: 1602800 727.2931 2073.8068 1943.0996 108.3469 -206061.5751 17801.7130 0.0000 0.0000 34270.3552 -149136.9603 299.2915 -183407.3155 -149034.7903 299.3387 18.5778 48.7966 557816.1219 -0.6121 -0.5035 PRESSURE: 1603000 -53.7827 -176.215 68.0495 -176.215 -9.84272 44.6988 68.0507 44.6985 -28.4029 GPRESSURE: 1603000 -33.2069 -138.366 30.9459 -163.471 30.5646 131.676 53.6715 -28.2467 12.1582 PRESSAVG: 1603000 -10.5435 -15.1699 4.37885 -15.1699 -33.2806 -4.8714 4.37892 -4.87154 25.088 GPRESSAVG: 1603000 -9.98856 -13.9855 3.58699 -15.5449 -31.6267 -5.21685 4.83516 -6.31489 23.603 TIMING: 1603000 CPU: 4655.43, 0.00291426/step Wall: 4655.43, 0.00291426/step, 2.74993 hours remaining, 205.773438 MB of memory in use. ENERGY: 1603000 726.7892 2074.7919 1920.4567 109.4104 -206055.8141 17700.7483 0.0000 0.0000 34483.4964 -149040.1212 301.1530 -183523.6176 -148944.3421 300.3085 -30.6761 3.1719 557883.6736 -6.2453 -6.0041 PRESSURE: 1603200 135.388 86.5442 239.997 86.5434 -202.394 -48.1916 239.996 -48.1904 -293.326 GPRESSURE: 1603200 153.699 84.1424 254.218 190.638 -137.671 13.3543 184.14 -86.5275 -263.925 PRESSAVG: 1603200 43.1425 21.3979 43.2234 21.3979 -65.3576 -29.2329 43.2234 -29.2329 -24.2507 GPRESSAVG: 1603200 41.6038 19.3155 42.9029 21.4749 -64.5659 -29.3732 43.8763 -28.9388 -23.6158 TIMING: 1603200 CPU: 4656.01, 0.00289715/step Wall: 4656.01, 0.00289715/step, 2.73362 hours remaining, 205.773438 MB of memory in use. ENERGY: 1603200 762.1717 2075.0675 1968.1758 110.0121 -206157.9072 17739.6918 0.0000 0.0000 34132.9480 -149369.8404 298.0915 -183502.7884 -149268.1547 299.4338 -120.1106 -82.6323 557414.7256 -15.4886 -15.5260 PRESSURE: 1603400 -89.5914 2.44609 12.7634 2.44655 -116.297 -67.3145 12.7618 -67.3141 -345.008 GPRESSURE: 1603400 -106.425 -40.4571 33.6059 51.4484 -97.6217 -51.4142 -29.3983 -25.0671 -248.256 PRESSAVG: 1603400 38.3704 -24.0539 59.4498 -24.054 13.68 -4.3427 59.4497 -4.34265 -33.4451 GPRESSAVG: 1603400 38.9956 -24.5211 61.3522 -21.1148 12.5907 -2.88433 58.2346 -2.40975 -33.0093 TIMING: 1603400 CPU: 4656.58, 0.0028872/step Wall: 4656.58, 0.0028872/step, 2.72408 hours remaining, 205.773438 MB of memory in use. ENERGY: 1603400 753.3547 2126.2901 1917.9190 107.7473 -205941.9484 17521.8928 0.0000 0.0000 34162.4272 -149352.3174 298.3490 -183514.7446 -149252.8888 299.0663 -183.6323 -150.7674 556643.3023 6.2018 6.1923 PRESSURE: 1603600 39.7929 -49.5266 107.224 -49.5265 -217.521 169.516 107.225 169.516 -242.233 GPRESSURE: 1603600 68.0245 -60.5991 191.649 3.76685 -169.452 112.122 45.2468 123.076 -216.802 PRESSAVG: 1603600 -10.0611 0.404964 58.533 0.404903 8.2042 7.28081 58.533 7.28088 57.9837 GPRESSAVG: 1603600 -8.71857 1.12049 58.2 -1.31064 7.97352 6.22364 58.0659 5.58216 56.9613 TIMING: 1603600 CPU: 4657.16, 0.00288915/step Wall: 4657.16, 0.00288915/step, 2.72575 hours remaining, 205.773438 MB of memory in use. ENERGY: 1603600 759.7629 2097.8413 1956.2797 119.7202 -206175.0974 17551.4622 0.0000 0.0000 34228.4065 -149461.6246 298.9252 -183690.0311 -149365.5264 299.2273 -139.9873 -106.0765 557108.2167 18.7089 18.7387 PRESSURE: 1603800 -6.94777 -57.5314 -24.5655 -57.5322 -41.0917 -37.0435 -24.5661 -37.0442 126.61 GPRESSURE: 1603800 0.114797 -47.6191 -28.139 -71.1716 21.1615 -51.5858 18.9192 0.374369 164.071 PRESSAVG: 1603800 9.71744 -18.2386 60.1156 -18.2387 -28.5331 25.8485 60.1157 25.8485 27.8522 GPRESSAVG: 1603800 8.81515 -17.6563 60.4755 -19.4254 -28.1827 25.3348 62.9043 27.7801 28.4184 TIMING: 1603800 CPU: 4657.74, 0.00289549/step Wall: 4657.74, 0.00289549/step, 2.73157 hours remaining, 205.773438 MB of memory in use. ENERGY: 1603800 756.5194 2110.5847 1980.5232 118.7701 -206352.8744 17826.0041 0.0000 0.0000 34152.8776 -149407.5952 298.2656 -183560.4729 -149315.3556 298.7408 26.1901 61.7825 557473.9390 3.0122 3.0169 PRESSURE: 1604000 -165.3 -17.5829 86.3345 -17.5823 18.1264 -56.9333 86.3335 -56.933 -308.79 GPRESSURE: 1604000 -100.132 -10.6879 39.7402 -2.66935 12.275 -56.4126 -13.6555 -37.4485 -273.881 PRESSAVG: 1604000 18.253 30.0667 55.0441 30.0668 -52.7316 -20.6546 55.0441 -20.6546 14.4565 GPRESSAVG: 1604000 18.2281 31.2935 53.6359 28.5461 -53.3978 -20.1609 53.9286 -21.4646 14.7714 TIMING: 1604000 CPU: 4658.32, 0.00289538/step Wall: 4658.32, 0.00289538/step, 2.73131 hours remaining, 205.773438 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: 1604000 766.6404 2016.0729 1978.6359 112.4855 -205882.3884 17633.7554 0.0000 0.0000 34061.3467 -149313.4518 297.4662 -183374.7985 -149219.8495 299.0801 -151.9878 -120.5793 559781.9001 -6.6740 -6.7995 PRESSURE: 1604200 206.63 -16.3422 -109.361 -16.3438 -47.5283 12.0038 -109.361 12.0045 171.69 GPRESSURE: 1604200 173.942 36.2087 -151.556 -21.0724 58.1748 -28.6983 -169.504 24.8462 200.567 PRESSAVG: 1604200 -32.1832 10.631 8.60838 10.631 -57.2668 19.9252 8.6085 19.9251 40.0114 GPRESSAVG: 1604200 -31.8783 8.3982 9.03837 12.2543 -56.488 19.2891 6.9034 20.9227 38.9015 TIMING: 1604200 CPU: 4658.9, 0.00290544/step Wall: 4658.9, 0.00290544/step, 2.74064 hours remaining, 205.773438 MB of memory in use. ENERGY: 1604200 695.5957 2089.6775 1956.3402 124.2074 -206187.6489 17822.1517 0.0000 0.0000 34182.0286 -149317.6477 298.5202 -183499.6763 -149225.1257 298.5375 110.2640 144.2279 556946.0085 -16.4795 -16.4883 LDB: ============= START OF LOAD BALANCING ============== 4662.37 LDB: ============== END OF LOAD BALANCING =============== 4662.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4662.37 LDB: ============= START OF LOAD BALANCING ============== 4662.66 LDB: Largest compute 4821 load 0.029886 is 25.4% of average load 0.117580 LDB: Average compute 0.001723 is 1.5% of average load 0.117580 LDB: TIME 4662.66 LOAD: AVG 0.11758 MAX 0.179354 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.312 MB LDB: TIME 4662.66 LOAD: AVG 0.11758 MAX 0.179354 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.312 MB LDB: TIME 4662.66 LOAD: AVG 0.11758 MAX 0.179354 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4662.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4662.67 PRESSURE: 1604400 -28.6808 -59.4015 -30.3151 -59.4016 169.778 208.642 -30.3141 208.642 232.206 GPRESSURE: 1604400 2.3342 20.7103 -12.4532 -36.4535 240.833 264.64 -23.8102 174.927 229.037 PRESSAVG: 1604400 57.8813 -28.5051 -11.4708 -28.505 -40.248 3.76126 -11.4708 3.76124 -0.838418 GPRESSAVG: 1604400 59.3947 -26.9397 -10.4933 -28.7568 -40.8075 3.84718 -10.4495 3.23019 -0.744999 TIMING: 1604400 CPU: 4659.49, 0.00294874/step Wall: 4659.49, 0.00294874/step, 2.78132 hours remaining, 205.421875 MB of memory in use. ENERGY: 1604400 745.2702 2066.7861 1955.0607 114.8596 -206625.9390 18119.3023 0.0000 0.0000 34339.6064 -149285.0538 299.8963 -183624.6602 -149186.5644 299.4424 124.4341 157.4015 557214.4320 5.5983 5.9474 PRESSURE: 1604600 63.0458 135.23 -150.653 135.23 -40.7395 67.1435 -150.652 67.1427 -1.37124 GPRESSURE: 1604600 127.62 217.541 -116.438 27.9305 -68.3297 128.82 -217.986 77.2943 52.1743 PRESSAVG: 1604600 -40.5093 -21.7546 -1.78244 -21.7546 -23.5842 -0.157691 -1.78248 -0.157732 55.7136 GPRESSAVG: 1604600 -42.2539 -20.9624 -2.5521 -21.5994 -22.7684 0.374035 -4.37105 -0.202858 56.3381 TIMING: 1604600 CPU: 4660.07, 0.00288614/step Wall: 4660.07, 0.00288614/step, 2.72211 hours remaining, 205.492188 MB of memory in use. ENERGY: 1604600 748.3034 2092.7325 1974.3593 102.5603 -206196.8119 17853.0057 0.0000 0.0000 34236.5660 -149189.2847 298.9964 -183425.8507 -149096.1623 299.3343 6.9783 37.1548 557121.4476 -2.7933 -2.8947 PRESSURE: 1604800 -22.7254 -26.3473 -120.414 -26.3486 -141.738 -0.583308 -120.416 -0.583668 -106.823 GPRESSURE: 1604800 -11.413 -124.497 -52.4207 44.9479 -122.868 -92.4465 -125.372 -78.1857 -39.9471 PRESSAVG: 1604800 5.20472 -17.2867 -27.9866 -17.2868 41.2323 -43.3022 -27.9867 -43.3022 4.39891 GPRESSAVG: 1604800 5.31403 -18.0168 -27.4969 -15.8707 41.1023 -44.7097 -24.8932 -41.6667 3.95751 TIMING: 1604800 CPU: 4660.64, 0.00287609/step Wall: 4660.64, 0.00287609/step, 2.71247 hours remaining, 205.492188 MB of memory in use. ENERGY: 1604800 763.0113 2076.9675 1948.6453 101.7147 -206073.7164 17662.8636 0.0000 0.0000 34264.3291 -149256.1848 299.2389 -183520.5140 -149162.1634 299.2230 -90.4286 -58.0762 557207.8983 16.9453 16.7913 PRESSURE: 1605000 75.5383 -379.112 -130.655 -379.112 -194.919 12.8003 -130.655 12.8005 119.307 GPRESSURE: 1605000 118.811 -366.865 -182.891 -329.345 -196.106 9.14496 -102.847 6.65018 169.549 PRESSAVG: 1605000 -16.6765 -15.889 -8.44453 -15.8889 -22.026 -12.8029 -8.44445 -12.803 16.7808 GPRESSAVG: 1605000 -17.0613 -16.4559 -9.63343 -15.7258 -22.604 -10.694 -8.00676 -14.4314 17.5666 TIMING: 1605000 CPU: 4661.22, 0.00290835/step Wall: 4661.22, 0.00290835/step, 2.74274 hours remaining, 205.562500 MB of memory in use. ENERGY: 1605000 749.1845 2077.1562 1961.4871 108.6489 -206208.9910 17764.2226 0.0000 0.0000 34491.1363 -149057.1555 301.2197 -183548.2918 -148960.2823 299.1688 -0.0245 30.7515 557833.0984 -7.3073 -7.3662 PRESSURE: 1605200 170.705 -52.5229 39.7235 -52.5231 -83.8149 -6.80514 39.7246 -6.8041 -59.2037 GPRESSURE: 1605200 190.696 -95.7579 -32.8985 -44.4874 -34.1114 10.8554 52.6682 26.2144 -40.6512 PRESSAVG: 1605200 47.3255 -9.74251 -28.3949 -9.7425 -62.5096 -54.6718 -28.3949 -54.6718 -7.67648 GPRESSAVG: 1605200 47.5626 -9.90673 -28.9939 -9.75731 -63.3432 -56.0733 -30.1833 -55.7533 -7.62069 TIMING: 1605200 CPU: 4661.81, 0.00293615/step Wall: 4661.81, 0.00293615/step, 2.76879 hours remaining, 205.562500 MB of memory in use. ENERGY: 1605200 733.7059 2058.2920 1964.6991 108.2110 -206161.3788 17792.2213 0.0000 0.0000 34329.5762 -149174.6733 299.8087 -183504.2495 -149073.2478 299.6525 9.2288 38.6444 557249.4958 -7.6202 -7.8004 PRESSURE: 1605400 30.1228 -103.599 -8.67633 -103.598 -63.8154 -4.20312 -8.67569 -4.20409 -172.604 GPRESSURE: 1605400 32.1679 -80.1177 3.20642 -45.3789 -68.7547 71.0957 -61.1582 -20.8626 -76.9443 PRESSAVG: 1605400 40.5706 33.0128 11.5438 33.0128 -71.3754 -26.7802 11.5439 -26.7801 49.5897 GPRESSAVG: 1605400 40.7535 33.2493 13.0341 31.6247 -70.6086 -25.9437 12.6725 -26.602 48.9982 TIMING: 1605400 CPU: 4662.39, 0.0029059/step Wall: 4662.39, 0.0029059/step, 2.7401 hours remaining, 205.562500 MB of memory in use. ENERGY: 1605400 735.0632 2117.6153 1988.4052 110.8853 -205979.5566 17686.8707 0.0000 0.0000 34273.8122 -149066.9047 299.3217 -183340.7169 -148966.1800 299.4848 -68.7654 -37.8437 556636.9080 6.2616 6.3810 PRESSURE: 1605600 116.17 -55.1681 51.7537 -55.1691 -3.4708 1.64437 51.7526 1.64399 -17.4027 GPRESSURE: 1605600 152.773 -38.1137 -2.64242 35.2834 -7.16183 49.6271 65.0871 -0.9434 50.4805 PRESSAVG: 1605600 21.1359 -54.9334 63.1763 -54.9334 -28.5066 -7.32354 63.1761 -7.32341 24.8646 GPRESSAVG: 1605600 20.6387 -55.1463 61.4994 -54.7678 -27.2561 -7.64095 62.4391 -9.22179 23.8655 TIMING: 1605600 CPU: 4662.98, 0.00294663/step Wall: 4662.98, 0.00294663/step, 2.77834 hours remaining, 205.601562 MB of memory in use. ENERGY: 1605600 760.6717 2122.2606 1964.8799 108.1284 -206269.5399 17952.8172 0.0000 0.0000 34249.4655 -149111.3167 299.1091 -183360.7821 -149011.2121 299.5704 31.7654 65.3638 557694.8479 5.8313 5.7494 PRESSURE: 1605800 100.43 -58.2374 -125.568 -58.2383 37.7846 -3.9156 -125.568 -3.91619 -41.1863 GPRESSURE: 1605800 142.215 -49.9047 -140.16 -60.3578 46.6098 48.078 -141.876 10.1085 9.27316 PRESSAVG: 1605800 -19.7496 36.1024 -34.5748 36.1024 -20.852 34.8602 -34.5748 34.8603 27.0252 GPRESSAVG: 1605800 -18.4049 33.3283 -33.5903 36.9365 -22.3577 34.916 -34.7402 35.1375 26.9406 TIMING: 1605800 CPU: 4663.56, 0.00291057/step Wall: 4663.56, 0.00291057/step, 2.74419 hours remaining, 205.601562 MB of memory in use. ENERGY: 1605800 715.0231 2117.0152 1974.0436 119.2120 -206057.6754 17779.3899 0.0000 0.0000 34397.1024 -148955.8892 300.3985 -183352.9916 -148861.8088 300.3005 32.3429 66.0327 558913.1017 -4.5255 -4.6073 PRESSURE: 1606000 -73.7736 36.5662 -119.518 36.5648 49.4086 -46.2517 -119.518 -46.2533 124.652 GPRESSURE: 1606000 -25.8369 39.4493 -71.5287 43.5562 63.3041 -12.6181 -80.9732 -123.48 152.834 PRESSAVG: 1606000 -6.75013 -32.0606 -27.9122 -32.0607 27.3807 -1.03279 -27.9122 -1.03288 26.0645 GPRESSAVG: 1606000 -7.44037 -30.7226 -27.1048 -33.6029 27.4995 0.545506 -27.3845 -0.210385 26.1831 TIMING: 1606000 CPU: 4664.15, 0.00290394/step Wall: 4664.15, 0.00290394/step, 2.73777 hours remaining, 205.601562 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: 1606000 707.5163 2048.9211 1977.1939 108.8879 -206003.7066 17782.8303 0.0000 0.0000 34319.7491 -149058.6080 299.7229 -183378.3571 -148959.6810 299.7123 33.4291 63.4337 558825.1377 15.5650 15.4141 PRESSURE: 1606200 -209.849 59.2518 28.4273 59.251 -67.8893 -8.45892 28.4265 -8.45796 -420.747 GPRESSURE: 1606200 -132.958 99.9537 -13.2356 160.248 -73.1087 -2.90591 92.4591 -18.4271 -400.091 PRESSAVG: 1606200 -11.5868 23.6357 17.5962 23.6358 3.67826 -24.311 17.5963 -24.3109 24.8022 GPRESSAVG: 1606200 -11.6941 24.2298 17.1042 25.2962 3.40955 -24.2095 16.9462 -24.3565 25.07 TIMING: 1606200 CPU: 4664.72, 0.00289008/step Wall: 4664.72, 0.00289008/step, 2.72454 hours remaining, 205.601562 MB of memory in use. ENERGY: 1606200 746.9673 2065.6622 1962.4976 136.8025 -205762.7044 17508.2808 0.0000 0.0000 34371.2361 -148971.2580 300.1726 -183342.4941 -148874.0810 299.7791 -232.8282 -202.0524 558789.4790 5.6312 5.5951 PRESSURE: 1606400 47.8839 87.8416 -185.607 87.8422 36.7302 11.9164 -185.606 11.9158 114.019 GPRESSURE: 1606400 43.2955 -61.6951 -142.751 117.509 72.3145 1.67507 -153.66 68.7789 171.828 PRESSAVG: 1606400 -10.4763 65.5225 25.1451 65.5223 9.97782 7.80223 25.1451 7.80217 -8.77242 GPRESSAVG: 1606400 -9.92218 64.976 24.789 63.9905 10.1957 8.64695 26.3034 7.33648 -8.77746 TIMING: 1606400 CPU: 4665.3, 0.00289613/step Wall: 4665.3, 0.00289613/step, 2.73008 hours remaining, 205.601562 MB of memory in use. ENERGY: 1606400 759.4496 2114.2414 1999.9798 117.2116 -206008.0938 17791.5600 0.0000 0.0000 34339.8129 -148885.8385 299.8981 -183225.6514 -148785.5884 299.9532 66.2110 95.8126 559162.9054 -3.0903 -2.8346 PRESSURE: 1606600 269.394 106.018 -20.7899 106.017 150.847 -85.2053 -20.789 -85.2063 224.125 GPRESSURE: 1606600 295.224 83.7289 -0.137212 39.9901 152.797 5.24823 2.77887 -80.262 282.669 PRESSAVG: 1606600 12.0755 97.9745 10.4721 97.9746 -1.76401 27.3448 10.4721 27.3448 37.6892 GPRESSAVG: 1606600 10.5839 98.8196 10.2382 97.6469 -2.2498 28.113 8.73016 26.8337 39.2978 TIMING: 1606600 CPU: 4665.88, 0.00288976/step Wall: 4665.88, 0.00288976/step, 2.72392 hours remaining, 205.601562 MB of memory in use. ENERGY: 1606600 726.9558 2140.7855 1935.6629 118.2797 -205846.6794 17932.9072 0.0000 0.0000 34100.9457 -148891.1426 297.8120 -182992.0883 -148799.8424 299.8697 214.7887 243.5633 557262.1481 16.0002 15.8773 PRESSURE: 1606800 292.498 164.22 68.6212 164.219 81.4183 88.501 68.6212 88.499 -238.615 GPRESSURE: 1606800 323.383 131.412 25.2447 171.781 149.418 132.163 92.7782 109.654 -227.124 PRESSAVG: 1606800 64.3111 10.6378 -1.94279 10.6377 -35.1495 59.5915 -1.94279 59.5914 -43.4376 GPRESSAVG: 1606800 64.3046 9.69601 -0.302871 10.4623 -33.5361 58.4921 -0.19688 59.1548 -44.7546 TIMING: 1606800 CPU: 4666.46, 0.00291488/step Wall: 4666.46, 0.00291488/step, 2.74744 hours remaining, 205.601562 MB of memory in use. ENERGY: 1606800 764.1165 2076.9005 2003.9517 130.9363 -205917.7135 17747.3326 0.0000 0.0000 34483.8479 -148710.6279 301.1560 -183194.4759 -148618.1992 300.0037 45.1005 81.8922 557178.2947 -4.7587 -4.6620 PRESSURE: 1607000 -315.24 -16.0009 28.3385 -15.9999 -109.384 -28.6032 28.3397 -28.6041 -90.596 GPRESSURE: 1607000 -238.452 -78.5837 97.5035 -6.02649 -95.5629 -44.3682 -9.82923 36.2021 -84.6031 PRESSAVG: 1607000 17.524 32.6735 -21.8934 32.6735 -31.2542 9.37139 -21.8933 9.37142 10.276 GPRESSAVG: 1607000 17.7458 32.8734 -23.1679 32.8741 -31.5609 11.4506 -21.3156 10.1752 9.59592 TIMING: 1607000 CPU: 4667.04, 0.00289852/step Wall: 4667.04, 0.00289852/step, 2.73186 hours remaining, 205.601562 MB of memory in use. ENERGY: 1607000 734.1824 2127.8339 1985.1727 115.6928 -205143.0593 17236.9831 0.0000 0.0000 34359.8076 -148583.3868 300.0727 -182943.1944 -148481.8550 300.6119 -171.7400 -139.5395 560100.0661 -1.1514 -1.4064 PRESSURE: 1607200 43.6836 -47.4151 84.9012 -47.4154 -33.3904 24.3964 84.9017 24.3983 93.695 GPRESSURE: 1607200 44.3507 -110.683 79.0688 -74.2143 26.8142 -2.06897 72.7015 85.9247 140.914 PRESSAVG: 1607200 -39.0833 6.88015 -33.1955 6.88012 23.9992 34.5618 -33.1954 34.5618 40.5964 GPRESSAVG: 1607200 -38.445 5.55642 -32.9325 7.77463 23.4596 32.8433 -33.5754 35.2814 40.4329 TIMING: 1607200 CPU: 4667.62, 0.0028917/step Wall: 4667.62, 0.0028917/step, 2.72527 hours remaining, 205.601562 MB of memory in use. ENERGY: 1607200 758.0150 2068.8189 1916.9637 109.7948 -205737.6296 17744.4879 0.0000 0.0000 34434.0968 -148705.4524 300.7215 -183139.5492 -148612.3439 301.4439 34.6627 70.6930 558185.9516 8.5041 8.4825 PRESSURE: 1607400 -13.3416 -80.79 20.0947 -80.7896 -141.679 59.8844 20.0953 59.8842 24.0534 GPRESSURE: 1607400 20.0301 -68.3846 10.1511 -36.4131 -68.5521 144.052 -19.1517 100.12 18.4225 PRESSAVG: 1607400 -23.4141 -2.61116 -27.3602 -2.61119 8.10301 88.4004 -27.3602 88.4003 64.3715 GPRESSAVG: 1607400 -23.6545 -1.29969 -29.9434 -3.17117 7.60782 88.7047 -26.6327 87.7025 65.2363 TIMING: 1607400 CPU: 4668.2, 0.00289004/step Wall: 4668.2, 0.00289004/step, 2.72354 hours remaining, 205.601562 MB of memory in use. ENERGY: 1607400 761.4057 2100.7414 1954.9630 116.2150 -206159.8250 17911.0042 0.0000 0.0000 34432.2889 -148883.2069 300.7057 -183315.4958 -148777.4757 300.3661 -43.6557 -10.0332 558430.5265 16.3535 16.3965 PRESSURE: 1607600 -111.379 78.9251 43.1395 78.9249 -288.997 167.593 43.1393 167.595 294.516 GPRESSURE: 1607600 -80.4174 119.161 161.192 101.445 -232.806 160.293 43.0379 194.527 298.238 PRESSAVG: 1607600 -44.5359 36.7207 -45.2529 36.7207 1.38592 2.43689 -45.2529 2.43689 33.1367 GPRESSAVG: 1607600 -43.9368 36.4825 -42.4164 35.8604 1.98722 0.243259 -47.7857 2.62347 32.0795 TIMING: 1607600 CPU: 4668.78, 0.00289668/step Wall: 4668.78, 0.00289668/step, 2.72964 hours remaining, 205.601562 MB of memory in use. ENERGY: 1607600 753.6171 2089.4356 1981.4697 118.2727 -206310.9163 18026.8401 0.0000 0.0000 34364.1833 -148977.0979 300.1110 -183341.2812 -148883.9156 299.4177 -35.2864 -4.9951 559057.2602 -3.3378 -3.2900 PRESSURE: 1607800 -34.5682 -75.2923 -67.015 -75.2941 69.3525 143.145 -67.0145 143.144 126.144 GPRESSURE: 1607800 38.6294 -84.2984 7.96625 -77.6178 74.5824 229.672 -72.4582 118.47 142.514 PRESSAVG: 1607800 40.5165 12.2958 3.71873 12.2958 -47.7258 11.48 3.7187 11.4801 8.54375 GPRESSAVG: 1607800 39.7163 12.3884 1.53848 12.3498 -46.743 14.0577 5.48122 13.1669 8.20971 TIMING: 1607800 CPU: 4669.36, 0.00289216/step Wall: 4669.36, 0.00289216/step, 2.72522 hours remaining, 205.601562 MB of memory in use. ENERGY: 1607800 754.9948 2042.9051 1966.3681 120.5944 -206136.3351 17967.7407 0.0000 0.0000 34274.4132 -149009.3188 299.3270 -183283.7320 -148907.0681 300.1180 53.6427 85.2421 558260.8768 0.4448 0.3943 PRESSURE: 1608000 91.8085 -29.1705 111.69 -29.1715 99.1756 88.4511 111.69 88.4522 313.287 GPRESSURE: 1608000 93.8502 -70.9535 142.107 58.631 181.544 27.1934 46.1149 59.7039 339.443 PRESSAVG: 1608000 -15.7684 22.8115 -16.5711 22.8116 22.4637 38.9873 -16.5711 38.9872 1.96721 GPRESSAVG: 1608000 -14.9355 21.9165 -13.5816 24.0996 22.6156 38.1049 -18.188 38.0956 1.82096 TIMING: 1608000 CPU: 4669.94, 0.0028962/step Wall: 4669.94, 0.0028962/step, 2.72887 hours remaining, 205.601562 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: 1608000 714.0876 2067.6320 1990.9356 109.3180 -206132.0812 18075.5580 0.0000 0.0000 34120.5285 -149054.0216 297.9831 -183174.5501 -148952.8799 299.3242 168.0902 204.9458 558902.5363 2.8875 3.1670 PRESSURE: 1608200 -207.362 119.227 58.2921 119.227 -443.311 59.5321 58.2914 59.5316 -358.629 GPRESSURE: 1608200 -175.364 94.8861 14.8286 126.564 -380.542 87.0045 65.737 99.2708 -364.605 PRESSAVG: 1608200 27.2452 6.01854 13.7481 6.01855 -70.4147 8.4122 13.7481 8.41204 48.4266 GPRESSAVG: 1608200 26.9293 6.68431 12.3366 3.90354 -71.7738 7.11913 15.3879 8.35989 50.0803 TIMING: 1608200 CPU: 4670.52, 0.00290337/step Wall: 4670.52, 0.00290337/step, 2.73546 hours remaining, 205.601562 MB of memory in use. ENERGY: 1608200 756.0860 2116.8657 1965.8040 125.2776 -205494.0164 17313.4980 0.0000 0.0000 34254.1483 -148962.3367 299.1500 -183216.4850 -148868.7935 299.0739 -336.4341 -306.8370 559510.7370 1.7524 1.7453 LDB: ============= START OF LOAD BALANCING ============== 4673.98 LDB: ============== END OF LOAD BALANCING =============== 4673.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4673.99 LDB: ============= START OF LOAD BALANCING ============== 4674.28 LDB: Largest compute 4821 load 0.030807 is 26.2% of average load 0.117622 LDB: Average compute 0.001720 is 1.5% of average load 0.117622 LDB: TIME 4674.28 LOAD: AVG 0.117622 MAX 0.177492 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.289 MB LDB: TIME 4674.28 LOAD: AVG 0.117622 MAX 0.177492 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.293 MB LDB: TIME 4674.28 LOAD: AVG 0.117622 MAX 0.177492 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4674.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4674.28 PRESSURE: 1608400 -71.6173 -102.86 -60.0391 -102.859 -1.91025 -11.6441 -60.0389 -11.6438 -107.929 GPRESSURE: 1608400 -76.8321 -108.496 5.18201 -72.6918 28.8009 33.4994 -32.402 19.3273 -31.7906 PRESSAVG: 1608400 40.8732 17.8638 30.0792 17.8639 -67.5973 -0.137512 30.0791 -0.137484 41.1444 GPRESSAVG: 1608400 40.9165 18.6958 30.1996 19.7563 -66.521 -0.343014 28.9634 0.612995 40.8135 TIMING: 1608400 CPU: 4671.11, 0.00295802/step Wall: 4671.11, 0.00295802/step, 2.78678 hours remaining, 204.460938 MB of memory in use. ENERGY: 1608400 779.9452 2109.4301 1941.8558 116.7351 -206030.4210 17762.1891 0.0000 0.0000 34205.4839 -149114.7818 298.7250 -183320.2656 -149022.2540 298.3821 -60.4855 -26.6072 558943.4096 4.8068 5.0697 PRESSURE: 1608600 -204.394 7.80351 -124.712 7.80367 -205.413 24.6354 -124.713 24.6357 -323.525 GPRESSURE: 1608600 -148.397 -14.8552 -139.238 -25.5652 -151.699 4.12937 -94.0244 155.161 -334.998 PRESSAVG: 1608600 -24.9235 10.8372 -37.4621 10.8373 49.1035 46.0009 -37.4621 46.0009 8.53012 GPRESSAVG: 1608600 -25.0849 9.07493 -38.8063 10.035 49.3474 46.4018 -36.4572 46.2776 8.08899 TIMING: 1608600 CPU: 4671.69, 0.00289793/step Wall: 4671.69, 0.00289793/step, 2.73001 hours remaining, 204.664062 MB of memory in use. ENERGY: 1608600 758.1775 2006.7127 1984.4416 120.0412 -205758.5980 17392.5613 0.0000 0.0000 34310.6852 -149185.9785 299.6437 -183496.6638 -149081.4853 298.8138 -244.4441 -211.6980 556959.8317 10.9034 10.7838 PRESSURE: 1608800 -157.396 -30.2329 -38.1143 -30.2344 43.8147 68.858 -38.1126 68.858 -65.2437 GPRESSURE: 1608800 -160.462 -34.1839 -31.7105 -25.1353 40.607 125.15 16.9029 2.64146 32.7947 PRESSAVG: 1608800 0.920948 -20.8535 -70.7415 -20.8535 -51.8835 100.977 -70.7414 100.977 23.2143 GPRESSAVG: 1608800 -0.044452 -17.7862 -68.0024 -22.0638 -51.6932 101.398 -72.9922 99.9771 23.6071 TIMING: 1608800 CPU: 4672.26, 0.00285788/step Wall: 4672.26, 0.00285788/step, 2.69212 hours remaining, 204.664062 MB of memory in use. ENERGY: 1608800 766.3121 2153.5961 1966.0150 107.7596 -206367.3392 17874.6261 0.0000 0.0000 34160.9674 -149338.0629 298.3362 -183499.0303 -149239.4746 298.8361 -59.6083 -29.0200 557495.8454 -9.2494 -9.3768 PRESSURE: 1609000 -74.3781 -237.272 -92.4974 -237.272 -7.22227 -50.3801 -92.4967 -50.3799 -223.106 GPRESSURE: 1609000 -2.31453 -230.511 -45.1708 -98.5171 20.4584 -105.761 -114.971 -123.179 -227.03 PRESSAVG: 1609000 -11.2293 -30.0828 -63.4148 -30.0828 2.2156 7.21917 -63.4147 7.21931 19.6102 GPRESSAVG: 1609000 -9.66296 -31.6717 -65.1755 -27.7131 2.4213 7.0383 -62.4367 8.02428 17.8387 TIMING: 1609000 CPU: 4672.83, 0.00287236/step Wall: 4672.83, 0.00287236/step, 2.7056 hours remaining, 204.964844 MB of memory in use. ENERGY: 1609000 741.2657 2060.2933 1948.6940 103.8536 -206290.5698 17824.5783 0.0000 0.0000 34352.7815 -149259.1033 300.0114 -183611.8848 -149155.7216 298.1567 -101.5689 -69.6286 559015.2465 3.5322 3.5323 PRESSURE: 1609200 -72.025 -131.968 -27.3493 -131.968 92.5295 156.762 -27.3495 156.762 -412.117 GPRESSURE: 1609200 6.66251 -208.547 15.853 -55.0753 99.9947 44.9603 -42.4417 205.537 -387.77 PRESSAVG: 1609200 47.2828 -5.33319 -52.5992 -5.33328 66.3115 7.88074 -52.5992 7.8809 -99.4316 GPRESSAVG: 1609200 46.915 -6.32098 -51.9517 -6.53893 65.7634 7.79348 -51.6039 6.23506 -98.4775 TIMING: 1609200 CPU: 4673.41, 0.00289262/step Wall: 4673.41, 0.00289262/step, 2.72453 hours remaining, 204.964844 MB of memory in use. ENERGY: 1609200 769.2404 2069.9230 1940.1909 120.4439 -206066.4899 17779.3494 0.0000 0.0000 34238.3812 -149148.9610 299.0123 -183387.3422 -149049.9411 298.7993 -130.5374 -93.7042 558319.8919 4.7209 4.7336 PRESSURE: 1609400 -202.883 24.9284 17.1835 24.9281 -207.551 -78.8093 17.1847 -78.8096 -171.23 GPRESSURE: 1609400 -128.752 45.7563 126.692 -29.6072 -211.402 -88.6974 35.2435 -123.056 -142.021 PRESSAVG: 1609400 19.8049 -72.8634 13.9286 -72.8634 7.86894 51.5815 13.9286 51.5815 -37.9267 GPRESSAVG: 1609400 19.8074 -71.6496 14.1433 -71.5258 7.50138 49.7378 15.0228 53.9429 -38.3961 TIMING: 1609400 CPU: 4673.99, 0.00288539/step Wall: 4673.99, 0.00288539/step, 2.71755 hours remaining, 204.964844 MB of memory in use. ENERGY: 1609400 766.6486 2067.7594 1946.7182 104.0607 -205737.7137 17571.2533 0.0000 0.0000 34119.8017 -149161.4719 297.9767 -183281.2736 -149061.8575 299.4447 -193.8879 -160.7252 558148.5762 -3.4176 -3.6957 PRESSURE: 1609600 170.82 125.686 -102.039 125.685 15.6751 -129.434 -102.039 -129.434 -25.9547 GPRESSURE: 1609600 209.456 124.501 -161.475 0.199969 35.9896 -78.0758 -93.8656 -210.601 0.541783 PRESSAVG: 1609600 84.2847 -19.9557 -3.10619 -19.9557 -37.8188 -24.4117 -3.10627 -24.4118 -53.7179 GPRESSAVG: 1609600 84.1401 -22.2074 -3.31768 -21.066 -38.1858 -23.7844 -1.88633 -23.4861 -53.7257 TIMING: 1609600 CPU: 4674.57, 0.0028774/step Wall: 4674.57, 0.0028774/step, 2.70987 hours remaining, 204.964844 MB of memory in use. ENERGY: 1609600 749.8747 2094.3720 1946.0801 120.7227 -206175.4229 17901.2425 0.0000 0.0000 34270.0799 -149093.0510 299.2891 -183363.1309 -148995.8910 299.6119 53.5134 81.9959 557221.3384 -2.4173 -2.5905 PRESSURE: 1609800 129.761 99.698 -155.73 99.6971 172.594 -55.7285 -155.73 -55.7279 64.5571 GPRESSURE: 1609800 185.304 74.7277 -149.468 47.6022 210.185 -41.6685 -200.115 -101.022 66.6032 PRESSAVG: 1609800 52.3971 5.07763 -36.007 5.07772 13.4029 13.3702 -36.0071 13.3701 -31.7103 GPRESSAVG: 1609800 52.3114 6.48263 -36.6636 4.57584 14.4175 14.8805 -38.5817 10.9482 -32.3319 TIMING: 1609800 CPU: 4675.14, 0.00288326/step Wall: 4675.14, 0.00288326/step, 2.71523 hours remaining, 204.964844 MB of memory in use. ENERGY: 1609800 733.2314 2030.4636 1950.6449 103.3712 -206241.3948 18133.8133 0.0000 0.0000 34387.7621 -148902.1082 300.3169 -183289.8703 -148809.7172 300.0057 122.3040 154.0308 556756.0714 11.3632 11.4656 PRESSURE: 1610000 -123.688 -8.71764 44.9276 -8.71807 -281.799 75.469 44.929 75.4677 -310.484 GPRESSURE: 1610000 -131.446 38.6582 56.0748 -17.8355 -223.659 -15.99 64.7259 59.3452 -270.832 PRESSAVG: 1610000 70.4186 8.98308 -28.2139 8.98311 -53.3799 25.0795 -28.2138 25.0795 -41.4899 GPRESSAVG: 1610000 70.0646 9.25512 -27.8842 10.2671 -53.943 24.8727 -28.5545 24.7657 -41.0426 TIMING: 1610000 CPU: 4675.72, 0.00287748/step Wall: 4675.72, 0.00287748/step, 2.70962 hours remaining, 205.003906 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: 1610000 751.9978 2084.5565 1952.2825 126.7467 -205425.8344 17407.0984 0.0000 0.0000 34155.1508 -148948.0018 298.2854 -183103.1525 -148851.9689 299.8777 -238.6568 -208.6456 559365.5583 -8.1504 -8.3070 PRESSURE: 1610200 -218.032 136.302 62.1344 136.302 -79.6421 70.5144 62.1338 70.5135 -160.763 GPRESSURE: 1610200 -184.544 262.706 42.6919 38.3827 -45.5999 75.787 -5.87206 -17.8938 -126.287 PRESSAVG: 1610200 76.5138 13.7041 12.2003 13.7041 -10.2168 -17.3415 12.2003 -17.3416 -26.6734 GPRESSAVG: 1610200 77.2498 15.2599 11.5261 12.5132 -11.3921 -14.7883 11.4269 -18.7641 -26.6756 TIMING: 1610200 CPU: 4676.29, 0.00288222/step Wall: 4676.29, 0.00288222/step, 2.71393 hours remaining, 205.070312 MB of memory in use. ENERGY: 1610200 735.7036 2063.6395 1958.9316 132.0339 -205692.4827 17592.5622 0.0000 0.0000 34113.3119 -149096.2999 297.9200 -183209.6118 -148995.3479 299.1837 -152.8123 -118.8102 559541.9785 13.2079 13.0607 PRESSURE: 1610400 222.736 203.34 156.032 203.339 -128.268 100.781 156.031 100.781 84.6886 GPRESSURE: 1610400 218.186 149.806 97.5498 162.365 -126.637 62.9709 128.032 103.672 176.365 PRESSAVG: 1610400 9.12451 51.979 38.4596 51.979 -85.0061 -14.049 38.4596 -14.049 68.9365 GPRESSAVG: 1610400 8.76163 49.4628 37.8858 52.2109 -83.6338 -15.2979 37.8988 -13.5698 67.6626 TIMING: 1610400 CPU: 4676.87, 0.00288925/step Wall: 4676.87, 0.00288925/step, 2.72039 hours remaining, 205.070312 MB of memory in use. ENERGY: 1610400 746.5017 2090.8044 1973.4699 123.4109 -206345.6994 17927.8969 0.0000 0.0000 34484.6726 -148998.9430 301.1632 -183483.6156 -148904.2220 299.3547 59.7185 89.3046 557176.0875 -2.3150 -2.4032 PRESSURE: 1610600 -113.134 184.326 92.9002 184.325 -61.8384 34.3842 92.9013 34.3828 -23.7908 GPRESSURE: 1610600 -87.4429 164.414 130.425 197.102 -14.3807 73.6471 113.395 48.1878 6.91895 PRESSAVG: 1610600 29.8182 -17.9203 -47.6087 -17.9204 -88.6477 -24.5915 -47.6086 -24.5915 104.732 GPRESSAVG: 1610600 29.932 -14.7784 -47.3281 -19.9775 -89.5973 -26.5804 -46.4641 -23.5154 105.04 TIMING: 1610600 CPU: 4677.45, 0.00289679/step Wall: 4677.45, 0.00289679/step, 2.72732 hours remaining, 205.070312 MB of memory in use. ENERGY: 1610600 709.4649 2102.9199 1946.9976 111.7942 -205900.5943 17714.1650 0.0000 0.0000 34314.9689 -149000.2838 299.6812 -183315.2528 -148896.7151 299.5654 -66.2543 -31.6349 559238.0126 15.3007 15.1247 PRESSURE: 1610800 -399.738 43.0124 45.7927 43.0117 114.319 -195.594 45.7928 -195.595 163.384 GPRESSURE: 1610800 -385.092 69.2848 83.5887 -9.80663 174.496 -179.091 57.765 -192.265 190.095 PRESSAVG: 1610800 95.0905 3.3205 -25.9573 3.32059 -43.6253 49.0575 -25.9572 49.0575 -45.9952 GPRESSAVG: 1610800 94.0434 1.00492 -26.0493 4.5925 -42.6232 50.8843 -25.9943 49.9535 -45.8512 TIMING: 1610800 CPU: 4678.03, 0.00288792/step Wall: 4678.03, 0.00288792/step, 2.71882 hours remaining, 205.070312 MB of memory in use. ENERGY: 1610800 773.9485 2099.0455 1970.7750 110.5869 -206020.3328 17741.4929 0.0000 0.0000 34263.7583 -149060.7257 299.2339 -183324.4840 -148965.6252 299.0584 -40.6784 -6.8337 557932.5216 1.8233 1.8563 PRESSURE: 1611000 -151.513 -61.0955 -162.259 -61.0959 91.1808 39.7538 -162.257 39.7538 -393.501 GPRESSURE: 1611000 -187.232 -76.1133 -135.84 -62.6515 156.768 -27.8232 -122.576 30.8591 -321.606 PRESSAVG: 1611000 -5.96192 -32.2612 47.4687 -32.2612 15.4371 1.88783 47.4686 1.8878 -1.25967 GPRESSAVG: 1611000 -5.00656 -32.8952 48.2886 -30.8049 14.0915 -0.367214 47.7527 2.43305 -0.865208 TIMING: 1611000 CPU: 4678.61, 0.00289683/step Wall: 4678.61, 0.00289683/step, 2.72705 hours remaining, 205.070312 MB of memory in use. ENERGY: 1611000 742.7706 2068.2857 1948.0811 105.6822 -205556.4036 17429.9021 0.0000 0.0000 34290.4666 -148971.2154 299.4672 -183261.6819 -148873.5337 299.1131 -151.2779 -117.3567 557958.4737 2.7385 2.7399 PRESSURE: 1611200 -128.389 203.939 58.3186 203.941 -246.759 -148.957 58.3183 -148.957 -73.2202 GPRESSURE: 1611200 -115.741 255.81 125.049 171.364 -206.491 -293.501 103.979 -69.6378 -25.0655 PRESSAVG: 1611200 -10.2672 -34.4721 39.9314 -34.4721 1.03728 -89.836 39.9314 -89.836 13.7896 GPRESSAVG: 1611200 -10.6343 -35.3414 41.9304 -35.3318 0.821595 -88.6883 40.1416 -91.0274 13.9118 TIMING: 1611200 CPU: 4679.19, 0.00289065/step Wall: 4679.19, 0.00289065/step, 2.72107 hours remaining, 205.070312 MB of memory in use. ENERGY: 1611200 746.5271 2060.7885 1953.3662 114.5041 -205816.3359 17631.2516 0.0000 0.0000 34297.2583 -149012.6402 299.5265 -183309.8985 -148924.9422 299.3189 -149.4560 -115.7659 560777.1169 1.5199 1.3664 PRESSURE: 1611400 -163.011 -177.848 -28.9972 -177.849 62.8606 197.078 -28.9978 197.078 148.168 GPRESSURE: 1611400 -91.3273 -160.816 -47.9598 -157.687 41.2715 224.509 -47.3255 138.683 198.922 PRESSAVG: 1611400 -23.6312 -50.8306 31.9223 -50.8306 7.057 5.08982 31.9223 5.0899 2.56459 GPRESSAVG: 1611400 -22.4422 -48.2917 30.6775 -50.5899 6.16417 5.20168 32.3854 3.459 2.20198 TIMING: 1611400 CPU: 4679.77, 0.00289831/step Wall: 4679.77, 0.00289831/step, 2.72811 hours remaining, 205.070312 MB of memory in use. ENERGY: 1611400 692.4477 2123.4896 1962.6966 120.0468 -206141.8963 17895.2746 0.0000 0.0000 34206.7205 -149141.2206 298.7358 -183347.9410 -149045.6023 299.6705 16.0060 49.6221 558717.7776 -4.6699 -4.6920 PRESSURE: 1611600 -139.324 74.9037 31.3187 74.9029 -169.267 143.531 31.3173 143.531 -199.176 GPRESSURE: 1611600 -125.071 106.486 -11.7437 52.8442 -142.421 152.871 72.2039 160.593 -146.114 PRESSAVG: 1611600 26.5768 -23.693 7.05964 -23.693 -29.9556 21.4819 7.05966 21.482 -27.8956 GPRESSAVG: 1611600 25.4531 -22.7526 6.46244 -24.3663 -29.3491 22.2486 6.84635 21.6684 -27.3806 TIMING: 1611600 CPU: 4680.35, 0.00289926/step Wall: 4680.35, 0.00289926/step, 2.72885 hours remaining, 205.070312 MB of memory in use. ENERGY: 1611600 793.8952 2115.1333 1964.5584 119.8085 -206142.5886 17681.9150 0.0000 0.0000 34287.1363 -149180.1418 299.4381 -183467.2781 -149077.4096 298.7472 -169.2558 -137.8689 558514.1687 -10.4248 -10.4255 PRESSURE: 1611800 -35.4405 17.1281 118.713 17.1287 39.7058 -48.3421 118.713 -48.342 145.159 GPRESSURE: 1611800 -14.5034 8.89454 131.142 27.6392 22.2853 -87.8353 105.267 -73.759 226.268 PRESSAVG: 1611800 -22.529 -78.0811 18.1523 -78.081 0.76736 -18.793 18.1523 -18.793 0.623309 GPRESSAVG: 1611800 -23.0949 -81.1518 19.96 -78.0809 0.549347 -20.5976 17.2361 -18.3815 1.1484 TIMING: 1611800 CPU: 4680.92, 0.00288541/step Wall: 4680.92, 0.00288541/step, 2.71565 hours remaining, 205.070312 MB of memory in use. ENERGY: 1611800 721.1634 2130.6136 1944.4343 119.6580 -206222.7372 17845.3514 0.0000 0.0000 34504.9471 -148956.5694 301.3403 -183461.5165 -148856.7517 298.9274 49.8080 78.0165 558294.0014 -7.0461 -7.1324 PRESSURE: 1612000 -310.559 5.493 -122.033 5.4931 -170.069 -64.0819 -122.033 -64.0807 121.893 GPRESSURE: 1612000 -179.786 109.526 -139.613 -36.7096 -166.334 4.4177 -148.362 -93.0097 90.9844 PRESSAVG: 1612000 46.2478 -34.8171 -8.07462 -34.8169 -18.2566 61.4314 -8.07446 61.4313 -18.4544 GPRESSAVG: 1612000 47.4142 -31.9394 -10.4862 -34.5864 -17.7482 62.0367 -7.36722 63.1297 -19.7116 TIMING: 1612000 CPU: 4681.5, 0.00287199/step Wall: 4681.5, 0.00287199/step, 2.70286 hours remaining, 205.070312 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: 1612000 771.3349 2127.2855 1935.8563 121.6409 -205818.7802 17579.4472 0.0000 0.0000 34299.1227 -148984.0927 299.5428 -183283.2155 -148888.6655 299.9748 -119.5783 -85.0453 558200.5936 3.1789 3.3181 PRESSURE: 1612200 -301.354 18.8197 16.7299 18.8197 -415.137 80.6549 16.7296 80.6545 -64.9964 GPRESSURE: 1612200 -286.442 48.7043 116.852 -10.7455 -414.718 82.028 9.73301 52.2996 13.342 PRESSAVG: 1612200 -9.74817 7.24504 -52.3783 7.24506 -44.926 17.6943 -52.3783 17.6942 42.8112 GPRESSAVG: 1612200 -11.1501 8.18833 -52.5401 4.31828 -43.6993 17.2099 -51.9077 17.4577 42.558 TIMING: 1612200 CPU: 4682.08, 0.00289149/step Wall: 4682.08, 0.00289149/step, 2.72106 hours remaining, 205.070312 MB of memory in use. ENERGY: 1612200 744.4696 2071.7056 1974.0652 115.8837 -205682.3901 17340.0345 0.0000 0.0000 34360.5199 -149075.7115 300.0790 -183436.2314 -148972.2149 299.4433 -260.4957 -229.2728 559158.9604 -3.9543 -4.0971 LDB: ============= START OF LOAD BALANCING ============== 4685.54 LDB: ============== END OF LOAD BALANCING =============== 4685.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4685.54 LDB: ============= START OF LOAD BALANCING ============== 4685.83 LDB: Largest compute 4821 load 0.030527 is 25.9% of average load 0.117717 LDB: Average compute 0.001727 is 1.5% of average load 0.117717 LDB: TIME 4685.83 LOAD: AVG 0.117717 MAX 0.176924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.504 MB LDB: TIME 4685.83 LOAD: AVG 0.117717 MAX 0.176924 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: TIME 4685.83 LOAD: AVG 0.117717 MAX 0.176924 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4685.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4685.84 PRESSURE: 1612400 -17.0885 -80.3103 -6.17921 -80.3089 203.045 69.1183 -6.17848 69.1183 99.6255 GPRESSURE: 1612400 4.34779 -13.2674 -71.3345 -109.249 268.869 63.8762 11.9519 33.3114 101.982 PRESSAVG: 1612400 23.4407 -29.5461 12.9047 -29.5459 18.5845 -4.58511 12.9048 -4.58525 -58.2102 GPRESSAVG: 1612400 24.0228 -30.5292 12.87 -27.0997 17.5836 -4.36105 11.8751 -4.05224 -57.6279 TIMING: 1612400 CPU: 4682.66, 0.00293306/step Wall: 4682.66, 0.00293306/step, 2.76001 hours remaining, 203.683594 MB of memory in use. ENERGY: 1612400 723.7998 2094.3416 1994.6175 109.9195 -206316.0870 17945.4214 0.0000 0.0000 34279.3365 -149168.6508 299.3700 -183447.9873 -149069.4791 299.0977 95.1942 125.0666 557735.9676 -5.3950 -5.3405 PRESSURE: 1612600 -254.487 -63.0821 25.4356 -63.0818 240.282 19.6169 25.4358 19.6147 -61.3715 GPRESSURE: 1612600 -205.289 -13.8497 61.8889 -60.3854 279.851 35.9159 -3.08766 -2.62186 -55.8391 PRESSAVG: 1612600 -29.2351 -5.7028 -19.2525 -5.70277 20.5661 2.81708 -19.2525 2.81708 11.4148 GPRESSAVG: 1612600 -29.9534 -7.00251 -17.8618 -7.33767 21.158 3.26942 -19.7437 1.78957 11.2407 TIMING: 1612600 CPU: 4683.24, 0.00288871/step Wall: 4683.24, 0.00288871/step, 2.71812 hours remaining, 203.828125 MB of memory in use. ENERGY: 1612600 747.9225 2071.1982 1950.8649 111.3869 -206116.7568 17828.5396 0.0000 0.0000 34258.0461 -149148.7986 299.1840 -183406.8447 -149054.7619 299.2121 -25.1921 6.2412 556782.3401 0.9153 0.8151 PRESSURE: 1612800 135.344 -137.528 73.5115 -137.528 64.8141 172.363 73.5104 172.365 -135.196 GPRESSURE: 1612800 168.191 -161.355 4.67471 -137.058 85.8721 175.493 131.3 184.229 -91.0328 PRESSAVG: 1612800 -0.786967 -16.4424 -37.6246 -16.4425 12.5555 54.1876 -37.6246 54.1876 1.39616 GPRESSAVG: 1612800 -0.325319 -16.0764 -37.0299 -15.0812 12.0981 55.0075 -39.489 52.7664 1.50254 TIMING: 1612800 CPU: 4683.82, 0.00288507/step Wall: 4683.82, 0.00288507/step, 2.71453 hours remaining, 203.828125 MB of memory in use. ENERGY: 1612800 682.8987 2082.7458 1970.8724 127.2295 -206312.1364 17902.4266 0.0000 0.0000 34467.2185 -149078.7449 301.0108 -183545.9634 -148980.1522 299.4911 21.6539 54.3433 556658.4477 4.3882 4.4251 PRESSURE: 1613000 -390.13 112.376 63.8714 112.375 -36.2061 -124.891 63.8728 -124.891 -312.34 GPRESSURE: 1613000 -367.371 82.6066 27.3453 36.6677 0.303806 -35.0834 84.5507 -184.293 -262.41 PRESSAVG: 1613000 1.81358 -23.0326 -34.7491 -23.0326 -52.3998 8.47648 -34.7492 8.47648 29.0769 GPRESSAVG: 1613000 1.79413 -21.9544 -35.1568 -24.1662 -52.7617 8.53614 -31.6457 10.6194 29.0993 TIMING: 1613000 CPU: 4684.39, 0.00288003/step Wall: 4684.39, 0.00288003/step, 2.70963 hours remaining, 203.828125 MB of memory in use. ENERGY: 1613000 737.2325 2101.1138 1976.2623 118.8084 -205765.8864 17558.1748 0.0000 0.0000 34292.1212 -148982.1733 299.4816 -183274.2945 -148886.2938 299.3948 -246.2254 -209.8258 558484.8699 -7.1698 -7.2894 PRESSURE: 1613200 -253.769 65.5994 -52.0583 65.6001 61.023 54.1577 -52.0582 54.1584 -499.991 GPRESSURE: 1613200 -133.883 69.409 -72.7672 63.692 8.47643 70.5061 -25.5058 53.1094 -472.333 PRESSAVG: 1613200 37.2533 -62.7024 37.6325 -62.7024 -28.6153 -20.2521 37.6325 -20.252 -17.7335 GPRESSAVG: 1613200 37.906 -62.2449 35.5332 -62.0514 -28.9546 -20.3941 36.8702 -22.0119 -17.8462 TIMING: 1613200 CPU: 4684.97, 0.00287789/step Wall: 4684.97, 0.00287789/step, 2.70745 hours remaining, 203.828125 MB of memory in use. ENERGY: 1613200 749.5399 2099.2467 1951.6619 112.7610 -205935.8499 17446.5560 0.0000 0.0000 34687.6204 -148888.4641 302.9356 -183576.0845 -148791.9953 299.5884 -230.9125 -199.2465 558051.6550 -3.0318 -2.9649 PRESSURE: 1613400 -101.567 188 74.2166 188.001 -338.426 21.7468 74.2158 21.7467 -331.91 GPRESSURE: 1613400 -120.76 161.713 76.4528 171.711 -241.998 -50.9178 18.2668 145.689 -319.898 PRESSAVG: 1613400 -18.3504 4.60489 -25.0711 4.60485 79.5919 -0.862619 -25.0712 -0.86257 -14.5265 GPRESSAVG: 1613400 -18.7745 4.58324 -23.7652 3.79602 80.337 -3.87785 -25.2417 0.295974 -15.7713 TIMING: 1613400 CPU: 4685.54, 0.00287988/step Wall: 4685.54, 0.00287988/step, 2.70917 hours remaining, 203.828125 MB of memory in use. ENERGY: 1613400 764.5620 2107.4163 1932.9477 128.4536 -205486.5953 17303.6851 0.0000 0.0000 34380.0201 -148869.5105 300.2493 -183249.5306 -148771.1534 300.0021 -257.3010 -227.5521 557626.2740 15.5717 15.2637 PRESSURE: 1613600 -91.5428 -140.074 -52.8567 -140.075 -45.8036 -251.486 -52.8558 -251.486 42.0173 GPRESSURE: 1613600 -54.3434 -159.556 -130.063 -152.975 -85.207 -274.902 56.6563 -247.486 133.084 PRESSAVG: 1613600 -54.7443 27.2389 -29.8362 27.2389 -23.3338 5.44396 -29.8362 5.44395 49.9641 GPRESSAVG: 1613600 -54.386 26.802 -31.1766 27.0385 -23.7704 8.54783 -27.8812 4.59375 50.2293 TIMING: 1613600 CPU: 4686.12, 0.00288506/step Wall: 4686.12, 0.00288506/step, 2.71388 hours remaining, 203.828125 MB of memory in use. ENERGY: 1613600 764.8968 2103.9881 1955.3029 116.8295 -206011.1184 17650.9012 0.0000 0.0000 34617.0378 -148802.1620 302.3192 -183419.1999 -148705.9095 300.0535 -31.7763 -2.1554 557539.5414 -9.3713 -9.3090 PRESSURE: 1613800 -21.7688 148.893 -32.993 148.893 -268.496 53.8987 -32.9925 53.8984 -169.26 GPRESSURE: 1613800 18.4123 195.892 8.03342 173.307 -303.51 57.8122 -45.6666 21.0464 -90.8371 PRESSAVG: 1613800 39.9371 40.4354 -43.4655 40.4352 -51.9728 -20.9023 -43.4655 -20.9023 -34.8518 GPRESSAVG: 1613800 40.2178 42.7061 -41.8655 38.6963 -51.6582 -22.9643 -44.3393 -18.5794 -35.7946 TIMING: 1613800 CPU: 4686.7, 0.00291462/step Wall: 4686.7, 0.00291462/step, 2.74153 hours remaining, 203.828125 MB of memory in use. ENERGY: 1613800 771.6251 2122.7548 1950.9594 132.2886 -205542.7151 17564.1753 0.0000 0.0000 34267.4371 -148733.4747 299.2661 -183000.9118 -148631.8021 300.2471 -153.1752 -125.3116 559979.8234 -15.6292 -15.7450 PRESSURE: 1614000 26.4223 -108.37 -11.3578 -108.37 75.886 31.8511 -11.3574 31.8505 -277.198 GPRESSURE: 1614000 65.9759 -43.5372 46.2924 -79.9338 78.2487 -16.835 -38.3464 -19.958 -213.93 PRESSAVG: 1614000 58.9553 -27.73 2.26531 -27.73 -9.17265 -27.8314 2.26536 -27.8313 -61.4476 GPRESSAVG: 1614000 59.2355 -28.9659 0.730557 -26.3005 -8.89959 -26.2161 0.984689 -29.5481 -61.5447 TIMING: 1614000 CPU: 4687.28, 0.00288649/step Wall: 4687.28, 0.00288649/step, 2.71491 hours remaining, 203.828125 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: 1614000 751.9781 2071.3500 1939.5506 140.9574 -205971.5704 17825.3621 0.0000 0.0000 34368.0766 -148874.2956 300.1450 -183242.3722 -148776.5306 299.7690 -58.2965 -23.2352 558895.7189 -3.8883 -3.7363 PRESSURE: 1614200 197.652 53.5789 -42.1649 53.5789 -19.3055 -111.003 -42.1642 -111.003 -182.015 GPRESSURE: 1614200 185.58 -52.6883 -56.8422 102.5 79.3861 -136.237 38.4553 -101.193 -175.928 PRESSAVG: 1614200 68.8207 35.385 -4.95924 35.385 -4.48926 -50.8723 -4.95924 -50.8723 -53.4982 GPRESSAVG: 1614200 66.3533 34.4412 -4.9629 35.7569 -4.73362 -53.7165 -5.99359 -50.3426 -51.7421 TIMING: 1614200 CPU: 4687.86, 0.00288271/step Wall: 4687.86, 0.00288271/step, 2.71118 hours remaining, 203.828125 MB of memory in use. ENERGY: 1614200 756.2625 2078.5441 1972.0839 106.7003 -205934.5024 17817.6280 0.0000 0.0000 34395.1878 -148808.0958 300.3817 -183203.2836 -148706.7586 300.3291 -1.2231 29.6794 558590.5140 3.6111 3.2925 PRESSURE: 1614400 160.783 36.2581 -24.6834 36.2575 363.335 18.5323 -24.6828 18.5304 29.2714 GPRESSURE: 1614400 242.294 -40.1468 -58.2564 1.29619 349.576 58.1684 -46.3566 49.8853 51.0581 PRESSAVG: 1614400 -19.868 6.53353 -68.9837 6.53351 -59.3351 -18.0785 -68.9838 -18.0785 51.2216 GPRESSAVG: 1614400 -19.0027 6.40376 -67.3456 7.32763 -59.0119 -15.7 -68.7548 -19.0423 50.5065 TIMING: 1614400 CPU: 4688.43, 0.00287681/step Wall: 4688.43, 0.0028768/step, 2.70547 hours remaining, 203.828125 MB of memory in use. ENERGY: 1614400 731.9859 2131.3565 1965.6980 116.4869 -206297.2408 17981.2800 0.0000 0.0000 34542.4286 -148828.0049 301.6676 -183370.4336 -148733.6195 300.1912 184.4632 214.3091 556296.9151 -9.3271 -9.1694 PRESSURE: 1614600 80.6992 210.544 -18.4894 210.543 -436.189 -32.9994 -18.4895 -32.9972 83.0368 GPRESSURE: 1614600 119.878 275.317 34.8666 150.282 -373.85 -53.0821 8.14395 49.7649 88.7003 PRESSAVG: 1614600 13.2767 -11.2831 19.9435 -11.2831 22.1841 11.7207 19.9435 11.7207 -25.412 GPRESSAVG: 1614600 13.4538 -12.993 20.248 -11.5843 21.9732 12.2516 21.125 11.818 -25.9247 TIMING: 1614600 CPU: 4689.01, 0.00289381/step Wall: 4689.01, 0.00289381/step, 2.7213 hours remaining, 203.828125 MB of memory in use. ENERGY: 1614600 748.6690 2129.5290 1933.0658 125.7491 -205537.5598 17636.5995 0.0000 0.0000 34320.6112 -148643.3362 299.7304 -182963.9474 -148549.4574 300.3281 -90.8177 -55.0906 558470.1403 3.3496 3.1675 PRESSURE: 1614800 -232.789 -158.213 0.993941 -158.215 -135.544 147.802 0.993715 147.803 -237.205 GPRESSURE: 1614800 -183.149 -122.261 15.9316 -117.748 -137.472 156.678 8.35533 79.2407 -180.996 PRESSAVG: 1614800 10.1473 10.0171 16.6593 10.0171 -18.701 69.9492 16.6591 69.9491 38.197 GPRESSAVG: 1614800 11.3124 12.3109 14.7792 9.639 -20.0133 70.3971 17.1496 68.044 39.1623 TIMING: 1614800 CPU: 4689.59, 0.00290827/step Wall: 4689.59, 0.00290827/step, 2.73474 hours remaining, 203.886719 MB of memory in use. ENERGY: 1614800 729.7746 2118.9723 1958.8385 104.0848 -205461.8508 17366.5073 0.0000 0.0000 34527.6029 -148656.0704 301.5381 -183183.6733 -148558.0772 301.1458 -201.8460 -167.2058 559585.8738 9.8811 10.1538 PRESSURE: 1615000 24.3102 16.796 -105.429 16.795 58.086 -48.3296 -105.428 -48.331 -74.2785 GPRESSURE: 1615000 122.192 -3.556 -190.416 -1.80574 77.2949 30.7336 -47.0292 -154.204 -96.8814 PRESSAVG: 1615000 32.2118 -49.2337 -0.132637 -49.2338 -16.4916 -3.89891 -0.132573 -3.89881 -12.1575 GPRESSAVG: 1615000 31.4215 -48.2842 0.389624 -49.0772 -14.1045 -4.01825 -0.138371 -2.99539 -13.688 TIMING: 1615000 CPU: 4690.17, 0.00289345/step Wall: 4690.17, 0.00289345/step, 2.72065 hours remaining, 203.886719 MB of memory in use. ENERGY: 1615000 724.4004 2098.5759 1964.7974 122.0895 -205512.7974 17511.0217 0.0000 0.0000 34417.9395 -148673.9730 300.5804 -183091.9126 -148574.9356 300.6638 2.7059 34.2019 556730.9387 1.1876 1.2097 PRESSURE: 1615200 -118.1 95.9774 -148.462 95.976 -163.037 57.9243 -148.462 57.9251 -151.384 GPRESSURE: 1615200 -93.1035 61.2337 -153.535 15.4667 -160.421 29.949 -168.887 68.2188 -80.7955 PRESSAVG: 1615200 -0.834545 -27.6078 -44.0582 -27.6079 5.0578 -40.3296 -44.0582 -40.3297 30.1982 GPRESSAVG: 1615200 -1.13111 -31.4253 -43.5201 -27.1797 3.46885 -42.3077 -44.5292 -38.322 32.332 TIMING: 1615200 CPU: 4690.75, 0.00290094/step Wall: 4690.75, 0.00290094/step, 2.72752 hours remaining, 203.886719 MB of memory in use. ENERGY: 1615200 729.1432 2081.2275 1924.3342 106.3330 -205655.9927 17633.5912 0.0000 0.0000 34421.6926 -148759.6710 300.6132 -183181.3636 -148660.8661 300.8299 -144.1734 -111.4401 559147.9082 11.4738 11.5566 PRESSURE: 1615400 -193.985 -24.0064 22.6584 -24.0053 -138.428 69.5759 22.6584 69.5757 -25.1774 GPRESSURE: 1615400 -205.249 -83.4188 11.225 -59.3413 -99.9562 98.5295 -18.0766 88.7558 30.4265 PRESSAVG: 1615400 -55.8185 -27.5545 -79.7314 -27.5544 33.0719 -14.9352 -79.7313 -14.9353 14.2297 GPRESSAVG: 1615400 -55.8582 -26.2067 -79.451 -27.5795 33.9457 -13.0707 -81.0926 -17.1926 13.0686 TIMING: 1615400 CPU: 4691.33, 0.00290781/step Wall: 4691.33, 0.00290781/step, 2.73383 hours remaining, 203.886719 MB of memory in use. ENERGY: 1615400 765.7847 2066.6983 1931.2273 108.5220 -205750.0264 17676.9469 0.0000 0.0000 34445.3343 -148755.5130 300.8197 -183200.8472 -148654.0926 300.4357 -119.1968 -91.5928 560586.8102 -2.8390 -2.9480 PRESSURE: 1615600 -15.4808 -133.565 49.2715 -133.563 -44.2369 -70.3484 49.2707 -70.3494 128.565 GPRESSURE: 1615600 62.8204 -131.308 -18.3406 -118.574 1.65101 -164.563 68.5761 -36.5715 95.2765 PRESSAVG: 1615600 -22.8758 11.9066 36.521 11.9066 -24.5997 -11.8711 36.521 -11.8711 -14.8559 GPRESSAVG: 1615600 -22.3655 13.7696 34.4411 10.6944 -24.5996 -11.1408 36.3114 -9.54538 -15.1775 TIMING: 1615600 CPU: 4691.91, 0.00289398/step Wall: 4691.91, 0.00289398/step, 2.72066 hours remaining, 203.953125 MB of memory in use. ENERGY: 1615600 723.7365 2080.8955 1943.8584 129.3425 -205487.7788 17846.8586 0.0000 0.0000 34196.9017 -148566.1856 298.6500 -182763.0874 -148469.3770 300.0658 22.9491 53.2493 561110.0370 -20.7771 -20.7142 PRESSURE: 1615800 116.605 16.4754 -16.8659 16.4748 114.171 63.227 -16.8661 63.2255 137.64 GPRESSURE: 1615800 95.7609 7.81538 86.316 2.6141 199.438 24.741 -95.2787 78.8617 173.193 PRESSAVG: 1615800 -4.87467 -39.7335 -14.8458 -39.7335 25.4959 -48.4389 -14.8457 -48.439 19.7938 GPRESSAVG: 1615800 -5.40441 -41.9643 -13.1121 -37.9962 25.4375 -50.8907 -13.2303 -47.4121 21.1628 TIMING: 1615800 CPU: 4692.49, 0.00289967/step Wall: 4692.49, 0.00289967/step, 2.72585 hours remaining, 203.953125 MB of memory in use. ENERGY: 1615800 740.3979 2070.1691 1957.4915 102.5497 -205669.3372 17827.5921 0.0000 0.0000 34445.3917 -148525.7452 300.8202 -182971.1369 -148431.1313 300.4025 122.8053 156.1307 558078.0476 13.4717 13.7320 PRESSURE: 1616000 82.4802 12.1027 -39.417 12.1011 -8.27004 15.7763 -39.4184 15.7763 -128.562 GPRESSURE: 1616000 73.063 24.7556 -51.629 33.3079 52.8946 48.5769 -16.463 36.7349 -90.6286 PRESSAVG: 1616000 -9.99571 27.9001 -42.2166 27.9 -9.82023 -15.2334 -42.2166 -15.2334 -16.0004 GPRESSAVG: 1616000 -9.30835 28.9621 -41.3893 25.3965 -10.0264 -11.9046 -43.331 -17.4083 -16.0675 TIMING: 1616000 CPU: 4693.07, 0.0028932/step Wall: 4693.07, 0.0028932/step, 2.71961 hours remaining, 203.992188 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: 1616000 747.6647 2016.4823 1936.9476 118.1769 -205366.2623 17533.0085 0.0000 0.0000 34390.8313 -148623.1510 300.3437 -183013.9823 -148524.1660 300.6342 -18.1174 11.7764 556723.7063 -11.9388 -11.8008 PRESSURE: 1616200 11.9818 -149.248 -64.9396 -149.248 -91.7929 91.0415 -64.9402 91.042 142.129 GPRESSURE: 1616200 50.891 -187.466 -94.1878 -103.824 -91.7233 123.889 -31.6275 70.0744 186.691 PRESSAVG: 1616200 30.0101 -25.1619 -10.8167 -25.1618 9.49997 -5.85655 -10.8168 -5.8566 -18.4376 GPRESSAVG: 1616200 29.2404 -26.8872 -11.9497 -23.9411 9.19258 -7.64111 -10.4153 -6.01646 -17.4636 TIMING: 1616200 CPU: 4693.65, 0.00289275/step Wall: 4693.65, 0.00289275/step, 2.71903 hours remaining, 203.992188 MB of memory in use. ENERGY: 1616200 751.2204 2045.8994 1947.8011 106.1063 -205944.9885 17756.0665 0.0000 0.0000 34578.7542 -148759.1406 301.9849 -183337.8948 -148658.3081 300.6419 20.7725 48.6194 556957.5857 7.0242 6.9898 LDB: ============= START OF LOAD BALANCING ============== 4697.12 LDB: ============== END OF LOAD BALANCING =============== 4697.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4697.12 LDB: ============= START OF LOAD BALANCING ============== 4697.41 LDB: Largest compute 4821 load 0.029106 is 24.7% of average load 0.117713 LDB: Average compute 0.001714 is 1.5% of average load 0.117713 LDB: TIME 4697.42 LOAD: AVG 0.117713 MAX 0.177918 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 4697.42 LOAD: AVG 0.117713 MAX 0.177918 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: TIME 4697.42 LOAD: AVG 0.117713 MAX 0.177918 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4697.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4697.42 PRESSURE: 1616400 145.953 -23.1407 -47.0274 -23.1402 105.788 -100.137 -47.0289 -100.135 98.9068 GPRESSURE: 1616400 173.828 -62.2935 -91.7556 34.1103 151.866 -100.126 -30.2928 -5.14738 124.708 PRESSAVG: 1616400 28.6923 -84.3649 -13.9753 -84.3649 -55.2926 -22.1 -13.9753 -22.0999 45.3796 GPRESSAVG: 1616400 30.3406 -81.471 -15.2484 -86.3604 -55.8055 -22.3283 -12.583 -21.4442 44.5096 TIMING: 1616400 CPU: 4694.25, 0.00298308/step Wall: 4694.25, 0.00298308/step, 2.80376 hours remaining, 205.164062 MB of memory in use. ENERGY: 1616400 741.0869 2044.5077 1968.4500 127.1129 -205987.1154 18045.9739 0.0000 0.0000 34291.3666 -148768.6174 299.4750 -183059.9840 -148679.5365 300.5350 116.8824 150.1341 557448.5090 6.2598 6.3482 PRESSURE: 1616600 4.76324 99.5459 -89.3035 99.5458 -181.499 25.7703 -89.3031 25.7705 -186.55 GPRESSURE: 1616600 68.944 98.9011 -99.1848 142.364 -157.806 -9.27217 -86.8576 18.7336 -170.948 PRESSAVG: 1616600 -26.4199 -18.9963 -26.9917 -18.9962 5.97172 -20.4149 -26.9917 -20.4148 50.1514 GPRESSAVG: 1616600 -26.968 -18.6568 -25.749 -18.3272 6.47057 -18.6947 -28.3541 -20.564 50.5784 TIMING: 1616600 CPU: 4694.83, 0.0028986/step Wall: 4694.83, 0.0028986/step, 2.7242 hours remaining, 205.164062 MB of memory in use. ENERGY: 1616600 748.7189 2077.4656 1956.0767 118.1607 -205783.1547 17538.8670 0.0000 0.0000 34541.7583 -148802.1074 301.6618 -183343.8658 -148707.4995 300.8377 -121.0953 -86.6033 555895.5373 9.9011 10.0270 PRESSURE: 1616800 -402.438 107.821 -59.9556 107.822 9.26735 125.695 -59.9567 125.697 73.0006 GPRESSURE: 1616800 -349.238 -10.1565 -111.239 199.312 35.7835 79.5945 54.3715 166.235 85.0606 PRESSAVG: 1616800 -34.9237 -44.5111 -40.811 -44.5111 65.4685 -43.1799 -40.811 -43.1798 -4.96623 GPRESSAVG: 1616800 -34.0431 -46.7114 -40.5889 -43.7667 65.3178 -43.9646 -39.4652 -43.0059 -5.49036 TIMING: 1616800 CPU: 4695.41, 0.00290266/step Wall: 4695.41, 0.00290266/step, 2.72785 hours remaining, 205.164062 MB of memory in use. ENERGY: 1616800 763.2788 2074.1751 1923.4353 125.3933 -205313.5006 17375.8364 0.0000 0.0000 34404.4557 -148646.9260 300.4627 -183051.3817 -148555.6840 300.9196 -106.7234 -76.1313 557843.1889 8.5262 8.5948 PRESSURE: 1617000 -339.765 149.013 118.457 149.014 -54.5785 4.78361 118.456 4.78259 -85.8859 GPRESSURE: 1617000 -324.06 106.203 43.543 150.46 -10.4477 25.2481 198.95 43.9935 -49.0025 PRESSAVG: 1617000 -1.04167 13.0946 -62.3346 13.0946 3.08158 8.43318 -62.3346 8.43317 -12.2971 GPRESSAVG: 1617000 -2.51998 13.5031 -62.8743 11.8292 3.21457 8.36719 -61.8751 8.96261 -11.0065 TIMING: 1617000 CPU: 4695.99, 0.00289868/step Wall: 4695.99, 0.00289868/step, 2.72396 hours remaining, 205.164062 MB of memory in use. ENERGY: 1617000 739.6239 2092.6081 1935.2165 120.3944 -205046.1873 17199.7762 0.0000 0.0000 34353.9658 -148604.6025 300.0217 -182958.5683 -148505.9800 300.0122 -160.0764 -127.8366 558197.4617 -3.4191 -3.4373 PRESSURE: 1617200 -163.816 -125.007 33.5862 -125.008 -105.72 63.7472 33.5866 63.7496 -117.611 GPRESSURE: 1617200 -126.466 -121.722 65.8231 -160.801 -81.1702 61.9728 -26.6951 0.434484 -74.8427 PRESSAVG: 1617200 46.9302 3.5241 27.149 3.524 -12.6201 32.4375 27.1489 32.4374 -10.2213 GPRESSAVG: 1617200 47.391 3.58793 27.7848 5.71182 -12.6822 32.0965 25.8936 31.4177 -10.7162 TIMING: 1617200 CPU: 4696.57, 0.00290269/step Wall: 4696.57, 0.00290269/step, 2.72756 hours remaining, 205.164062 MB of memory in use. ENERGY: 1617200 773.4856 2089.6492 1951.9493 125.6852 -205708.3510 17605.6511 0.0000 0.0000 34486.0983 -148675.8323 301.1757 -183161.9306 -148575.0276 300.7501 -129.0490 -94.1598 558915.3789 8.0296 7.9975 PRESSURE: 1617400 -283.157 -9.98217 49.8242 -9.98219 -47.5732 -87.7535 49.8239 -87.7544 -97.7692 GPRESSURE: 1617400 -270.251 3.57139 14.2846 55.4933 -72.172 -83.8905 111.651 38.253 13.182 PRESSAVG: 1617400 -40.6687 -31.8711 -44.2809 -31.8712 10.9031 -54.9763 -44.2808 -54.9761 33.4536 GPRESSAVG: 1617400 -40.6568 -30.039 -45.2382 -33.7021 10.1925 -54.5011 -43.0217 -54.2971 34.0526 TIMING: 1617400 CPU: 4697.15, 0.0029181/step Wall: 4697.15, 0.0029181/step, 2.74188 hours remaining, 205.164062 MB of memory in use. ENERGY: 1617400 765.3732 2152.9466 1946.9416 120.5122 -205833.1720 17647.0729 0.0000 0.0000 34551.5591 -148648.7664 301.7474 -183200.3255 -148555.4624 300.8160 -142.8333 -109.7470 558074.0869 1.2293 1.1961 PRESSURE: 1617600 193.307 69.3845 -195.73 69.3845 84.3782 -124.436 -195.731 -124.432 -48.7806 GPRESSURE: 1617600 212.464 76.0088 -206.895 48.7272 111.771 -85.2836 -155.338 -206.189 -16.8416 PRESSAVG: 1617600 -11.1711 10.6037 34.6976 10.6038 12.0829 -36.6041 34.6975 -36.6042 -16.9557 GPRESSAVG: 1617600 -11.0946 10.1578 33.7658 12.6517 14.3349 -35.0937 33.0871 -36.4747 -19.2986 TIMING: 1617600 CPU: 4697.73, 0.00290641/step Wall: 4697.73, 0.00290641/step, 2.73074 hours remaining, 205.164062 MB of memory in use. ENERGY: 1617600 733.3289 2039.3354 1919.6900 123.7741 -205724.1530 17785.0538 0.0000 0.0000 34401.3038 -148721.6671 300.4351 -183122.9709 -148629.0012 300.0427 76.3015 102.4645 558578.4081 -5.3480 -5.3527 PRESSURE: 1617800 -92.4453 -103.947 176.244 -103.946 3.39493 9.0314 176.244 9.03286 -144.754 GPRESSURE: 1617800 -58.4678 -127.317 129.342 -120.309 -9.31884 20.939 144.855 -34.1637 -65.4883 PRESSAVG: 1617800 -0.149183 25.911 26.9882 25.911 3.73774 81.5285 26.9882 81.5284 -21.2112 GPRESSAVG: 1617800 0.738126 25.6165 27.4269 24.503 2.57232 79.9785 26.7645 81.2424 -20.5855 TIMING: 1617800 CPU: 4698.31, 0.00290795/step Wall: 4698.31, 0.00290795/step, 2.73202 hours remaining, 205.164062 MB of memory in use. ENERGY: 1617800 763.9630 2036.8589 1949.1238 111.9485 -205650.1086 17611.5002 0.0000 0.0000 34532.9390 -148643.7751 301.5847 -183176.7141 -148546.4159 300.5726 -77.9348 -44.4250 557506.4918 -5.8742 -5.7584 PRESSURE: 1618000 -13.8088 182.17 120.242 182.17 -37.1891 -14.9032 120.244 -14.9027 -7.50693 GPRESSURE: 1618000 72.7044 241.488 118.331 119.697 -29.5479 -65.5947 141.511 43.2626 -16.8679 PRESSAVG: 1618000 17.3881 40.2817 6.83919 40.2817 -0.406951 -21.0233 6.83922 -21.0232 9.86088 GPRESSAVG: 1618000 17.2952 41.3901 5.3067 41.1109 -1.4432 -20.473 8.38296 -20.4418 10.3005 TIMING: 1618000 CPU: 4698.89, 0.00290188/step Wall: 4698.89, 0.00290188/step, 2.72616 hours remaining, 205.164062 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: 1618000 743.1041 2059.4572 1958.8080 119.1624 -205320.8402 17547.5840 0.0000 0.0000 34275.6145 -148617.1100 299.3375 -182892.7245 -148529.6828 300.7355 -19.5016 8.7629 557478.1396 8.9473 8.7175 PRESSURE: 1618200 307.231 -59.2213 38.5525 -59.2196 75.0936 -60.3311 38.5534 -60.3304 51.1425 GPRESSURE: 1618200 323.868 46.8993 -2.71273 -181.232 102.437 -106.869 75.9435 45.1113 107.595 PRESSAVG: 1618200 -38.6028 -43.2142 24.8858 -43.2143 20.2676 11.4612 24.8857 11.4612 60.7779 GPRESSAVG: 1618200 -38.4211 -43.6567 26.7015 -42.6917 20.206 11.4814 24.8362 11.5248 61.1157 TIMING: 1618200 CPU: 4699.47, 0.00288518/step Wall: 4699.47, 0.00288518/step, 2.7103 hours remaining, 205.164062 MB of memory in use. ENERGY: 1618200 735.5356 2059.5013 1999.9432 107.0726 -206220.8548 18060.3355 0.0000 0.0000 34473.1420 -148785.3245 301.0625 -183258.4665 -148689.1295 300.2017 144.4891 177.9670 556773.9833 14.1476 14.3002 PRESSURE: 1618400 43.8175 -6.2645 -77.7865 -6.26308 121.982 -50.9374 -77.7865 -50.9364 45.4685 GPRESSURE: 1618400 77.5625 4.75345 -62.8437 52.2054 163.975 18.6885 -59.4143 -83.974 67.3327 PRESSAVG: 1618400 10.6868 -11.0118 -68.3995 -11.0118 42.1303 10.3152 -68.3996 10.3151 -38.8465 GPRESSAVG: 1618400 9.00862 -9.31201 -68.6697 -12.6309 43.5288 9.71409 -69.0441 10.4202 -38.9836 TIMING: 1618400 CPU: 4700.05, 0.0028715/step Wall: 4700.05, 0.0028715/step, 2.69729 hours remaining, 205.164062 MB of memory in use. ENERGY: 1618400 761.9750 2091.6612 1947.8149 118.4021 -205858.8919 17838.5375 0.0000 0.0000 34435.2937 -148665.2076 300.7320 -183100.5012 -148564.4579 300.2269 70.4228 102.9566 558731.2590 4.6569 4.5180 PRESSURE: 1618600 -148.597 0.849967 -97.6747 0.852142 -245.425 -69.7917 -97.6743 -69.7912 71.7074 GPRESSURE: 1618600 -130.91 86.0611 -109.195 -78.3387 -174.763 -82.9562 -76.4118 -80.9576 83.3282 PRESSAVG: 1618600 -24.7125 -21.3619 -50.1276 -21.362 15.627 5.135 -50.1277 5.13483 8.00767 GPRESSAVG: 1618600 -23.893 -21.2969 -48.8468 -21.5723 14.6997 4.48244 -51.6385 5.96464 8.27993 TIMING: 1618600 CPU: 4700.62, 0.00288026/step Wall: 4700.62, 0.00288026/step, 2.70536 hours remaining, 205.164062 MB of memory in use. ENERGY: 1618600 766.4194 2097.7243 1971.4570 108.2483 -205509.6075 17487.5085 0.0000 0.0000 34446.1072 -148632.1427 300.8264 -183078.2499 -148540.9223 300.0696 -107.4383 -74.1148 558960.3426 -0.3593 -0.3045 PRESSURE: 1618800 95.0053 -21.6799 -23.2697 -21.6792 164.191 116.689 -23.27 116.69 71.847 GPRESSURE: 1618800 121.819 11.8322 -64.5131 -42.4575 220.435 117.777 57.7646 36.2085 93.592 PRESSAVG: 1618800 -2.38898 -5.83172 16.1502 -5.83169 13.6074 15.2704 16.1501 15.2704 -17.5054 GPRESSAVG: 1618800 -3.53505 -6.32905 14.8051 -3.566 13.7899 15.7096 16.9351 13.5693 -16.5129 TIMING: 1618800 CPU: 4701.2, 0.00287526/step Wall: 4701.2, 0.00287526/step, 2.70051 hours remaining, 205.234375 MB of memory in use. ENERGY: 1618800 757.4788 2153.7299 1966.5555 121.5721 -206259.2759 18081.8230 0.0000 0.0000 34329.9811 -148848.1354 299.8123 -183178.1165 -148754.4494 300.0878 110.3477 145.2818 558214.3225 -2.0957 -2.0860 PRESSURE: 1619000 -110.514 -78.3215 -173.163 -78.3209 -181.794 -93.6263 -173.164 -93.6275 -252.394 GPRESSURE: 1619000 -131.332 -117.568 -205.776 -26.248 -123.468 -1.51379 -168.212 -217.014 -180.781 PRESSAVG: 1619000 -14.9126 15.5372 -11.5604 15.5371 13.2621 38.6944 -11.5604 38.6944 24.9918 GPRESSAVG: 1619000 -14.3456 14.7425 -9.60326 14.6362 12.9759 41.2286 -10.7835 38.5697 24.3975 TIMING: 1619000 CPU: 4701.78, 0.00289047/step Wall: 4701.78, 0.00289047/step, 2.71463 hours remaining, 205.234375 MB of memory in use. ENERGY: 1619000 770.2803 2144.7992 1962.8976 113.5535 -205939.4941 17609.6139 0.0000 0.0000 34385.2262 -148953.1234 300.2947 -183338.3496 -148856.3618 299.9075 -181.5674 -145.1935 559285.3258 7.7805 7.6759 PRESSURE: 1619200 210.097 84.8263 -13.4423 84.8262 314.985 -155.782 -13.443 -155.782 25.3104 GPRESSURE: 1619200 198.031 76.6139 -5.22084 59.6866 361.362 -141.512 -44.0648 -176.5 90.4721 PRESSAVG: 1619200 -35.9414 38.0956 -32.1073 38.0956 -11.5415 -15.767 -32.1073 -15.7671 76.6416 GPRESSAVG: 1619200 -36.0991 37.5193 -34.5842 37.1933 -12.2552 -18.5875 -33.5779 -13.1688 77.1922 TIMING: 1619200 CPU: 4702.36, 0.00291915/step Wall: 4702.36, 0.00291915/step, 2.7414 hours remaining, 205.234375 MB of memory in use. ENERGY: 1619200 757.6668 2112.4214 1941.8421 113.4463 -206115.8344 17927.4085 0.0000 0.0000 34480.6300 -148782.4194 301.1279 -183263.0494 -148686.2571 299.5827 183.4642 216.6219 557135.8671 9.7196 9.6126 PRESSURE: 1619400 25.8731 -222.03 31.6245 -222.029 -41.7176 -14.8112 31.6244 -14.8103 -130.059 GPRESSURE: 1619400 40.1517 -273.41 42.5837 -226.436 -34.759 -66.2246 9.80309 32.2356 -64.1564 PRESSAVG: 1619400 17.2601 1.39305 -2.96869 1.39315 -30.5677 -49.0589 -2.9687 -49.0588 -21.1847 GPRESSAVG: 1619400 18.0366 1.19736 -2.41526 1.83538 -30.129 -48.8869 -2.9097 -53.1219 -22.4312 TIMING: 1619400 CPU: 4702.94, 0.00290516/step Wall: 4702.94, 0.00290516/step, 2.72811 hours remaining, 205.234375 MB of memory in use. ENERGY: 1619400 735.0624 2123.2019 1966.4270 114.9195 -206096.3968 17638.0371 0.0000 0.0000 34678.6850 -148840.0638 302.8576 -183518.7488 -148749.7620 300.3851 -48.6344 -19.5879 556993.7463 -11.4974 -11.5079 PRESSURE: 1619600 -343.954 -119.213 -53.4678 -119.213 -53.9328 48.3998 -53.4673 48.4007 -87.3974 GPRESSURE: 1619600 -273.499 -140.169 -68.2952 -78.3947 -44.4223 29.6771 -35.8356 -41.1715 -71.0384 PRESSAVG: 1619600 -10.0632 -54.9717 0.182228 -54.9717 -12.8763 15.8077 0.18225 15.8077 44.1975 GPRESSAVG: 1619600 -10.3534 -53.4563 1.85672 -56.0622 -12.5217 17.7898 0.592974 17.294 44.354 TIMING: 1619600 CPU: 4703.52, 0.00288223/step Wall: 4703.52, 0.00288223/step, 2.70641 hours remaining, 205.234375 MB of memory in use. ENERGY: 1619600 763.7565 2094.6935 1963.5138 126.6659 -205983.7215 17726.2905 0.0000 0.0000 34248.0043 -149060.7970 299.0963 -183308.8013 -148971.0418 300.7344 -161.7613 -129.6531 558828.0697 7.0860 7.1597 PRESSURE: 1619800 95.8685 -5.1866 -204.733 -5.18594 10.7918 63.3131 -204.733 63.3127 379.239 GPRESSURE: 1619800 81.4003 -0.90839 -259.304 9.22616 55.4577 122.555 -210.607 87.1607 432.394 PRESSAVG: 1619800 -102.668 -61.5883 -9.47057 -61.5884 49.4976 19.7682 -9.47067 19.7681 14.77 GPRESSAVG: 1619800 -103.378 -64.5134 -10.9541 -60.2574 49.6486 18.6742 -9.55309 19.1685 15.0042 TIMING: 1619800 CPU: 4704.1, 0.00289927/step Wall: 4704.1, 0.00289927/step, 2.72225 hours remaining, 205.234375 MB of memory in use. ENERGY: 1619800 757.9030 2086.1569 1943.7396 117.2164 -206390.2008 18092.7350 0.0000 0.0000 34175.2249 -149217.2250 298.4607 -183392.4499 -149125.4227 298.5594 161.9665 189.7505 558271.6851 -12.8001 -12.9085 PRESSURE: 1620000 -28.6421 22.682 46.4166 22.6823 -162.905 158.879 46.4177 158.88 -71.2561 GPRESSURE: 1620000 64.109 7.91591 112.957 -17.7769 -169.774 113.281 -14.1979 241.585 -70.2592 PRESSAVG: 1620000 -15.6988 -12.2322 -36.508 -12.2322 5.22969 48.2983 -36.5081 48.2984 -27.4091 GPRESSAVG: 1620000 -15.4764 -10.9298 -36.8509 -12.5431 5.12406 48.7995 -35.8046 48.521 -27.6322 TIMING: 1620000 CPU: 4704.67, 0.00288071/step Wall: 4704.67, 0.00288071/step, 2.70467 hours remaining, 205.234375 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: 1620000 757.7809 2103.2176 1937.0652 120.9851 -206030.0508 17789.9937 0.0000 0.0000 34274.1117 -149046.8965 299.3243 -183321.0082 -148941.6921 299.6276 -87.6010 -58.6413 558927.4822 -12.6261 -12.6615 PRESSURE: 1620200 -13.4611 -138.021 56.5907 -138.021 -202.401 -79.986 56.591 -79.9865 96.2788 GPRESSURE: 1620200 91.1575 -77.981 59.5468 -214.344 -231.111 -46.8016 82.182 -22.1561 128.105 PRESSAVG: 1620200 -16.168 -76.1322 22.3134 -76.1322 -19.0529 39.7408 22.3135 39.7408 30.6001 GPRESSAVG: 1620200 -15.5553 -75.1295 23.7351 -76.5015 -20.1116 40.6485 20.6474 38.8024 31.5544 TIMING: 1620200 CPU: 4705.25, 0.00287785/step Wall: 4705.25, 0.00287785/step, 2.70182 hours remaining, 205.234375 MB of memory in use. ENERGY: 1620200 756.6157 2112.1731 1935.7056 124.2941 -206077.2334 17806.7746 0.0000 0.0000 34282.4308 -149059.2395 299.3970 -183341.6703 -148965.9363 299.4504 -39.8612 -3.9495 558701.0966 -1.5402 -1.3708 LDB: ============= START OF LOAD BALANCING ============== 4708.71 LDB: ============== END OF LOAD BALANCING =============== 4708.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4708.71 LDB: ============= START OF LOAD BALANCING ============== 4709 LDB: Largest compute 4821 load 0.030877 is 26.2% of average load 0.117753 LDB: Average compute 0.001711 is 1.5% of average load 0.117753 LDB: TIME 4709 LOAD: AVG 0.117753 MAX 0.176524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.621 MB LDB: TIME 4709 LOAD: AVG 0.117753 MAX 0.176524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.625 MB LDB: TIME 4709 LOAD: AVG 0.117753 MAX 0.176524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4709.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4709.01 PRESSURE: 1620400 115.99 117.234 -13.2807 117.235 163.048 -199.84 -13.2819 -199.841 222.48 GPRESSURE: 1620400 162.893 170.073 93.9421 31.189 148.394 -236.2 -89.957 -143.753 293.187 PRESSAVG: 1620400 -34.831 -9.6082 39.3684 -9.60829 -7.07299 -40.9293 39.3683 -40.9292 20.4522 GPRESSAVG: 1620400 -35.4057 -7.98008 38.5124 -10.8579 -5.69467 -40.7396 41.0715 -40.3561 19.6697 TIMING: 1620400 CPU: 4705.84, 0.00293671/step Wall: 4705.84, 0.00293671/step, 2.75692 hours remaining, 204.910156 MB of memory in use. ENERGY: 1620400 740.3971 2098.7457 1973.1624 122.8065 -206299.3651 17912.6338 0.0000 0.0000 34315.0942 -149136.5254 299.6823 -183451.6196 -149038.2468 298.8869 167.1727 201.4913 557346.0298 -7.1506 -7.1436 PRESSURE: 1620600 196.637 34.9112 -77.7839 34.9098 90.878 -149.629 -77.7854 -149.63 201.56 GPRESSURE: 1620600 203.247 10.7209 -60.2885 74.692 118.244 -29.9303 -43.8395 -55.9177 248.646 PRESSAVG: 1620600 11.3237 21.1839 -2.26586 21.1839 -60.3842 -23.0725 -2.26594 -23.0726 64.2405 GPRESSAVG: 1620600 11.5488 20.7581 -1.86469 24.1321 -61.0565 -23.5799 -3.87155 -23.1294 64.5138 TIMING: 1620600 CPU: 4706.41, 0.00287834/step Wall: 4706.41, 0.00287834/step, 2.70197 hours remaining, 204.910156 MB of memory in use. ENERGY: 1620600 748.9398 2065.7069 1968.9849 114.8192 -206509.8372 18188.1547 0.0000 0.0000 34223.0549 -149200.1767 298.8785 -183423.2316 -149102.1105 299.2283 163.0248 190.0459 558257.4201 5.0600 5.0020 PRESSURE: 1620800 171.523 -50.5417 -127.956 -50.5413 -33.9633 114.172 -127.956 114.172 -197.155 GPRESSURE: 1620800 153.913 -97.8028 -106.164 -54.647 22.7466 8.30583 -173.481 185.375 -151.223 PRESSAVG: 1620800 44.4298 18.6774 14.2624 18.6775 -69.1837 -12.5694 14.2624 -12.5694 -3.47568 GPRESSAVG: 1620800 45.8645 19.8736 13.7603 15.4626 -70.1041 -16.1159 13.9489 -10.6707 -3.63059 TIMING: 1620800 CPU: 4706.99, 0.00288834/step Wall: 4706.99, 0.00288834/step, 2.71119 hours remaining, 204.910156 MB of memory in use. ENERGY: 1620800 749.9893 2071.0658 1965.4078 102.5629 -206160.4269 17722.0869 0.0000 0.0000 34272.7588 -149276.5554 299.3125 -183549.3142 -149174.2954 298.9731 -19.8651 8.4791 556446.3638 -9.4098 -9.2900 PRESSURE: 1621000 -180.693 11.5213 58.1965 11.5208 -89.2002 -223.176 58.1959 -223.176 -279.592 GPRESSURE: 1621000 -154.271 38.6026 -21.116 -105.832 -39.7433 -162.365 77.8554 -132.574 -254.274 PRESSAVG: 1621000 64.8231 50.3025 10.8432 50.3025 3.73211 49.2605 10.8432 49.2605 -28.5889 GPRESSAVG: 1621000 64.8629 50.0654 12.3218 51.4504 4.07819 50.7226 9.91933 50.4403 -28.556 TIMING: 1621000 CPU: 4707.56, 0.00288083/step Wall: 4707.56, 0.00288083/step, 2.70398 hours remaining, 204.910156 MB of memory in use. ENERGY: 1621000 725.2574 2154.9962 1921.6544 115.1696 -206026.4870 17605.0561 0.0000 0.0000 34271.7486 -149232.6047 299.3037 -183504.3532 -149137.4521 298.7785 -183.1616 -149.4293 558193.9431 13.3221 13.4617 PRESSURE: 1621200 121.696 32.477 -24.3485 32.4779 39.3839 50.5408 -24.3476 50.5408 120.355 GPRESSURE: 1621200 177.354 51.2717 24.3913 145.691 74.721 6.90723 -36.0862 72.8651 120.578 PRESSAVG: 1621200 -3.06034 -52.283 -22.6004 -52.2831 25.7831 36.1858 -22.6004 36.1857 9.58817 GPRESSAVG: 1621200 -3.62553 -53.2478 -23.1468 -51.6238 26.4547 37.2941 -21.5432 34.439 9.43026 TIMING: 1621200 CPU: 4708.14, 0.00288078/step Wall: 4708.14, 0.00288078/step, 2.70378 hours remaining, 204.972656 MB of memory in use. ENERGY: 1621200 765.8246 2095.0608 1954.9603 120.8177 -206101.8257 17941.9807 0.0000 0.0000 34207.7435 -149015.4382 298.7447 -183223.1817 -148915.7651 300.2613 93.8115 124.2177 558428.2198 10.7703 10.7532 PRESSURE: 1621400 179.943 100.749 222.986 100.748 226.448 -65.6264 222.985 -65.6266 -28.257 GPRESSURE: 1621400 148.344 92.9336 309.212 44.2366 251.306 -85.3769 140.779 -105.046 71.4231 PRESSAVG: 1621400 -27.1545 20.6981 27.461 20.698 30.7159 6.32906 27.4609 6.32902 -1.28822 GPRESSAVG: 1621400 -27.8169 19.7425 28.6976 21.1958 30.4282 5.04544 26.7022 7.51274 -0.251433 TIMING: 1621400 CPU: 4708.72, 0.0029124/step Wall: 4708.72, 0.0029124/step, 2.73328 hours remaining, 204.972656 MB of memory in use. ENERGY: 1621400 759.0075 2107.8687 1985.4688 133.2538 -206148.2119 18014.2104 0.0000 0.0000 34129.3147 -149019.0880 298.0598 -183148.4028 -148919.0318 299.1656 126.0447 157.0242 557440.6607 0.7577 0.7866 PRESSURE: 1621600 137.171 97.2211 -90.5611 97.2217 -44.9208 -136.3 -90.5608 -136.299 17.7129 GPRESSURE: 1621600 167.457 -4.09154 -105.989 90.5007 59.0357 -103.818 -100.68 -261.187 -19.0175 PRESSAVG: 1621600 -39.1145 -42.976 62.3161 -42.9761 69.6886 -78.4521 62.3161 -78.4521 -35.1671 GPRESSAVG: 1621600 -39.8208 -39.8252 59.8104 -44.7598 69.3925 -78.787 64.1103 -77.6161 -34.4204 TIMING: 1621600 CPU: 4709.31, 0.00293131/step Wall: 4709.31, 0.00293131/step, 2.75087 hours remaining, 204.972656 MB of memory in use. ENERGY: 1621600 750.8965 2144.4539 1962.8982 119.3376 -206198.1282 17895.6399 0.0000 0.0000 34397.8924 -148927.0098 300.4053 -183324.9022 -148824.7464 299.2801 36.6543 69.1585 557691.6796 -1.5310 -1.6163 PRESSURE: 1621800 -337.539 79.0915 32.2429 79.0914 106.673 109.448 32.2427 109.448 -84.4435 GPRESSURE: 1621800 -262.686 39.427 40.3557 69.7753 112.565 84.6344 -21.082 -3.94543 -59.1459 PRESSAVG: 1621800 5.13604 -8.61084 0.658881 -8.61088 44.6072 -71.5062 0.658907 -71.5062 -49.4418 GPRESSAVG: 1621800 6.5377 -12.4288 2.99091 -6.06359 45.0002 -70.634 -1.5845 -75.4539 -51.3155 TIMING: 1621800 CPU: 4709.89, 0.00290946/step Wall: 4709.89, 0.00290946/step, 2.73021 hours remaining, 205.218750 MB of memory in use. ENERGY: 1621800 722.3218 2071.1631 1972.5055 117.1284 -205736.8024 17594.5780 0.0000 0.0000 34391.6221 -148867.4835 300.3506 -183259.1056 -148771.3306 300.0222 -105.1032 -69.7558 558078.6570 0.1005 0.0741 PRESSURE: 1622000 -151.155 85.5753 -27.4063 85.5744 -74.3985 20.9182 -27.4065 20.9194 214.309 GPRESSURE: 1622000 -135.496 94.7177 -6.88675 59.2667 -28.5676 14.2773 -88.6347 -78.6554 245.089 PRESSAVG: 1622000 -38.9704 4.23856 2.26014 4.23862 26.7768 38.9948 2.2601 38.9947 49.0893 GPRESSAVG: 1622000 -39.9475 3.87761 1.13453 3.77169 25.918 40.1946 2.36923 40.4289 49.9921 TIMING: 1622000 CPU: 4710.47, 0.00289998/step Wall: 4710.47, 0.00289998/step, 2.72115 hours remaining, 205.218750 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: 1622000 719.5984 2106.3378 1955.5000 121.7223 -205928.1135 17461.0468 0.0000 0.0000 34480.6930 -149083.2152 301.1285 -183563.9083 -148980.1318 300.3677 -3.7482 27.0086 557156.4822 12.2986 11.9875 PRESSURE: 1622200 108.979 39.8348 -67.4216 39.8352 -66.64 31.4174 -67.423 31.4182 -78.7666 GPRESSURE: 1622200 123.188 -26.9492 -49.2649 -16.5512 5.8753 -90.1528 -110.965 71.9943 -70.5212 PRESSAVG: 1622200 -32.31 4.9301 -17.1115 4.93014 -27.9384 27.6478 -17.1115 27.6478 54.7383 GPRESSAVG: 1622200 -31.8718 6.56079 -17.3058 3.09826 -27.4536 27.4112 -15.7069 28.449 53.7363 TIMING: 1622200 CPU: 4711.05, 0.00288449/step Wall: 4711.05, 0.00288449/step, 2.70645 hours remaining, 205.218750 MB of memory in use. ENERGY: 1622200 734.1416 2218.7388 1953.7680 113.4833 -206101.8671 17777.4373 0.0000 0.0000 34189.1203 -149115.1779 298.5821 -183304.2982 -149032.4652 299.8061 -12.1426 19.5141 557175.3476 -1.8367 -1.8631 PRESSURE: 1622400 35.6724 -27.6178 -58.0159 -27.6169 273.568 -122.313 -58.0153 -122.312 41.2752 GPRESSURE: 1622400 62.8609 -113.646 -3.95635 -35.5786 320.852 -123.233 -91.086 -160.125 78.5655 PRESSAVG: 1622400 -46.8835 2.4801 2.41381 2.48014 2.11357 -47.6946 2.41386 -47.6947 25.7485 GPRESSAVG: 1622400 -46.4981 2.65828 4.47079 2.12645 2.5586 -48.8646 2.59435 -48.8474 24.5948 TIMING: 1622400 CPU: 4711.62, 0.00286876/step Wall: 4711.62, 0.00286876/step, 2.69153 hours remaining, 205.218750 MB of memory in use. ENERGY: 1622400 715.4390 2149.0336 1965.9257 122.3912 -206356.7110 17972.7886 0.0000 0.0000 34237.9890 -149193.1440 299.0089 -183431.1330 -149099.9494 299.0609 116.8385 154.0926 555154.6295 -6.3405 -6.4482 PRESSURE: 1622600 -274.467 14.093 -5.45514 14.0922 -84.6446 25.59 -5.45465 25.5895 -85.4178 GPRESSURE: 1622600 -241.184 79.0688 25.7674 -40.6789 -47.6719 67.6095 -107.434 54.6516 -68.9308 PRESSAVG: 1622600 -42.6986 8.28674 -84.1237 8.28673 21.1762 4.16492 -84.1238 4.16499 33.9162 GPRESSAVG: 1622600 -44.5024 8.08187 -86.4876 10.4947 21.373 4.61657 -85.2824 4.61451 35.0924 TIMING: 1622600 CPU: 4712.2, 0.00286925/step Wall: 4712.2, 0.00286925/step, 2.69183 hours remaining, 205.218750 MB of memory in use. ENERGY: 1622600 756.0056 2144.3564 1968.2701 106.4885 -206022.0615 17743.8675 0.0000 0.0000 34087.3652 -149215.7082 297.6934 -183303.0734 -149119.8235 299.8549 -148.1766 -119.2623 557789.2398 4.1313 3.9877 PRESSURE: 1622800 -342.584 -52.0626 -69.4807 -52.0621 -467.867 44.1112 -69.4811 44.1103 -18.6752 GPRESSURE: 1622800 -327.183 -25.1226 -171.382 -84.2541 -424.915 34.7987 -54.3295 19.6805 21.9916 PRESSAVG: 1622800 12.6461 -12.4043 -18.5068 -12.4044 14.1328 -21.8337 -18.5069 -21.8338 -7.99163 GPRESSAVG: 1622800 13.7923 -11.0409 -18.4803 -12.6411 13.7587 -22.3847 -16.44 -20.9005 -8.45615 TIMING: 1622800 CPU: 4712.77, 0.00288381/step Wall: 4712.77, 0.00288381/step, 2.70533 hours remaining, 205.218750 MB of memory in use. ENERGY: 1622800 735.3390 2074.2354 1976.7589 111.8831 -205477.0599 17339.9705 0.0000 0.0000 34112.0620 -149126.8109 297.9091 -183238.8729 -149038.0555 299.3355 -276.3755 -243.3688 558378.6096 6.2624 6.3649 PRESSURE: 1623000 -186.993 -118.02 -147.457 -118.02 -308.666 -182.608 -147.458 -182.608 -320.192 GPRESSURE: 1623000 -134.033 -163.233 -172.08 -5.0289 -279.978 -297.566 -60.3035 -88.1207 -296.971 PRESSAVG: 1623000 14.112 -49.7418 -47.6812 -49.7419 -29.7777 -41.9586 -47.6812 -41.9588 5.35602 GPRESSAVG: 1623000 14.2597 -50.7504 -46.5113 -48.3517 -31.1628 -41.9973 -47.8756 -42.1952 6.32473 TIMING: 1623000 CPU: 4713.35, 0.00290897/step Wall: 4713.35, 0.00290897/step, 2.72878 hours remaining, 205.218750 MB of memory in use. ENERGY: 1623000 730.8791 2107.8748 1935.4152 107.1725 -205897.0256 17494.8726 0.0000 0.0000 34184.8133 -149335.9980 298.5445 -183520.8114 -149238.6390 299.2809 -271.9505 -236.9937 559062.6812 -3.4366 -3.5261 PRESSURE: 1623200 -77.2995 34.427 -80.8902 34.4264 -112.96 -59.0119 -80.8902 -59.0143 12.0304 GPRESSURE: 1623200 -13.8763 -36.3631 -53.0738 90.6299 -58.5505 -46.7247 -31.6591 -51.8638 -1.82661 PRESSAVG: 1623200 -14.457 23.7976 -12.6129 23.7976 -2.04405 -8.44982 -12.6128 -8.44995 81.0155 GPRESSAVG: 1623200 -14.7347 23.3301 -13.4252 20.961 -1.61258 -8.19994 -14.3842 -7.88879 80.7117 TIMING: 1623200 CPU: 4713.93, 0.00290002/step Wall: 4713.93, 0.00290002/step, 2.72022 hours remaining, 205.218750 MB of memory in use. ENERGY: 1623200 708.9477 2148.4320 1946.8419 118.0123 -206171.7719 17732.8319 0.0000 0.0000 34186.4939 -149330.2123 298.5592 -183516.7062 -149231.5375 299.1512 -59.4098 -24.7511 558043.4861 21.5048 21.4548 PRESSURE: 1623400 185.176 23.2106 17.8581 23.2104 51.8602 -34.5484 17.8572 -34.5467 302.51 GPRESSURE: 1623400 204.24 -39.2152 9.51226 116.315 57.8229 -47.4724 19.1989 -35.4394 383.61 PRESSAVG: 1623400 -6.64083 15.9333 16.6272 15.9333 -59.2716 4.47407 16.6271 4.47398 24.9956 GPRESSAVG: 1623400 -6.59951 16.7951 16.1105 17.14 -58.6568 4.38546 18.8257 4.32024 24.6719 TIMING: 1623400 CPU: 4714.52, 0.00291241/step Wall: 4714.52, 0.00291241/step, 2.73167 hours remaining, 205.218750 MB of memory in use. ENERGY: 1623400 702.5402 2082.2038 1989.6457 104.1555 -206280.9164 17866.0280 0.0000 0.0000 34183.3090 -149353.0342 298.5313 -183536.3431 -149258.7860 298.8566 179.8487 215.2245 555354.8217 -13.6390 -13.5281 PRESSURE: 1623600 -121.4 -4.66865 -13.0704 -4.6685 -24.427 -37.4955 -13.0702 -37.494 -244.926 GPRESSURE: 1623600 -158.502 -22.2736 55.6097 -54.3728 -0.0489517 -45.6698 -52.1636 57.6823 -155.892 PRESSAVG: 1623600 20.2409 44.5212 -9.85859 44.5212 -32.2475 5.90575 -9.85853 5.90564 15.0034 GPRESSAVG: 1623600 20.7346 45.1628 -9.97645 44.002 -32.5663 5.86512 -12.2678 6.13653 14.4718 TIMING: 1623600 CPU: 4715.1, 0.00290207/step Wall: 4715.1, 0.00290207/step, 2.72182 hours remaining, 205.218750 MB of memory in use. ENERGY: 1623600 757.9552 2062.9001 1973.7373 117.3106 -205949.9878 17654.9648 0.0000 0.0000 34120.6075 -149262.5123 297.9838 -183383.1197 -149165.1843 299.5435 -130.2511 -104.8146 558143.8140 0.9989 0.8800 PRESSURE: 1623800 -96.0847 76.0391 129.682 76.0383 -88.6063 132.88 129.681 132.878 -157.009 GPRESSURE: 1623800 -105.561 25.0098 91.3466 136.307 -67.0158 126.911 86.7717 38.0425 -70.2411 PRESSAVG: 1623800 32.6025 -39.8139 12.533 -39.8139 -20.1067 -32.4335 12.533 -32.4335 -9.88846 GPRESSAVG: 1623800 33.6876 -39.8667 12.3949 -40.0942 -20.6217 -33.2361 13.8846 -31.6333 -10.863 TIMING: 1623800 CPU: 4715.67, 0.00288341/step Wall: 4715.67, 0.00288341/step, 2.70416 hours remaining, 205.218750 MB of memory in use. ENERGY: 1623800 719.9924 2157.1091 1971.3422 120.8757 -206294.7424 17624.5863 0.0000 0.0000 34505.6989 -149195.1377 301.3469 -183700.8367 -149100.8874 300.1759 -113.9000 -80.9395 555599.1845 0.8691 0.7343 PRESSURE: 1624000 -344.995 76.2201 70.0848 76.2204 -37.3624 -51.6323 70.084 -51.6331 -60.594 GPRESSURE: 1624000 -258.477 -16.3648 40.4456 122.604 -64.2586 -164.029 53.773 -45.4365 -15.9565 PRESSAVG: 1624000 16.3125 36.2437 14.2174 36.2437 -10.5402 40.3854 14.2173 40.3853 -8.50435 GPRESSAVG: 1624000 16.0826 35.1789 15.599 36.6 -11.7989 40.0758 15.1095 38.7019 -7.03529 TIMING: 1624000 CPU: 4716.26, 0.00290613/step Wall: 4716.26, 0.00290613/step, 2.72531 hours remaining, 205.218750 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: 1624000 766.9891 2123.1941 1937.1925 113.8780 -205900.0748 17715.2962 0.0000 0.0000 34224.8198 -149018.7051 298.8939 -183243.5249 -148913.6796 300.0087 -147.6503 -112.8973 556496.2479 -0.9107 -0.9172 PRESSURE: 1624200 -147.59 78.907 33.9427 78.9071 -100.337 111.858 33.9441 111.857 -69.1497 GPRESSURE: 1624200 -126.731 30.9772 -1.00968 32.3317 -14.52 -10.6253 -5.12011 198.681 -75.0292 PRESSAVG: 1624200 53.5693 -1.03249 -4.2241 -1.03257 -87.5156 28.8852 -4.22408 28.8851 28.6191 GPRESSAVG: 1624200 52.3375 0.394637 -4.52811 -2.68915 -85.3537 30.0003 -7.9467 27.9769 27.1548 TIMING: 1624200 CPU: 4716.83, 0.00288957/step Wall: 4716.83, 0.00288957/step, 2.70962 hours remaining, 205.218750 MB of memory in use. ENERGY: 1624200 750.9583 2121.1559 1957.7313 125.2061 -205829.0552 17582.5848 0.0000 0.0000 34389.6461 -148901.7726 300.3333 -183291.4187 -148805.2148 299.6368 -105.6922 -72.0935 557498.2273 -1.7757 -1.9538 LDB: ============= START OF LOAD BALANCING ============== 4720.3 LDB: ============== END OF LOAD BALANCING =============== 4720.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4720.3 LDB: ============= START OF LOAD BALANCING ============== 4720.59 LDB: Largest compute 4821 load 0.031262 is 26.6% of average load 0.117687 LDB: Average compute 0.001710 is 1.5% of average load 0.117687 LDB: TIME 4720.59 LOAD: AVG 0.117687 MAX 0.178575 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.648 MB LDB: TIME 4720.59 LOAD: AVG 0.117687 MAX 0.178575 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.902 MB LDB: TIME 4720.59 LOAD: AVG 0.117687 MAX 0.178575 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.902 MB LDB: ============== END OF LOAD BALANCING =============== 4720.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4720.6 PRESSURE: 1624400 19.2957 -66.1874 -125.291 -66.1882 153.79 -110.021 -125.29 -110.021 231.445 GPRESSURE: 1624400 74.7355 -3.7569 -153.032 -119.393 190.913 -135.107 -77.0819 -61.8838 232.162 PRESSAVG: 1624400 -33.4775 -24.0911 49.6736 -24.0912 -28.8541 9.9097 49.6735 9.90976 47.2623 GPRESSAVG: 1624400 -33.2883 -26.2019 51.4039 -21.0335 -30.0519 8.41732 53.0593 12.3501 48.1795 TIMING: 1624400 CPU: 4717.42, 0.00295773/step Wall: 4717.42, 0.00295773/step, 2.77337 hours remaining, 205.250000 MB of memory in use. ENERGY: 1624400 781.7408 2100.6901 1966.3288 101.5621 -205882.6126 17921.4170 0.0000 0.0000 34452.7612 -148558.1126 300.8845 -183010.8738 -148458.5672 300.3907 134.8437 165.9368 557355.0755 -5.0231 -5.0536 PRESSURE: 1624600 -113.555 -9.24308 -44.7157 -9.24236 -413.675 -83.1344 -44.7152 -83.1343 17.7336 GPRESSURE: 1624600 -141.885 -62.4146 27.9026 -3.71074 -269.752 -126.553 -48.3511 -3.57246 -2.98442 PRESSAVG: 1624600 -18.0195 -44.0088 -27.3418 -44.0088 3.59568 -36.1636 -27.3418 -36.1635 24.9415 GPRESSAVG: 1624600 -17.8122 -43.6916 -27.1458 -47.6513 4.41977 -35.0159 -27.7874 -38.1369 23.9154 TIMING: 1624600 CPU: 4718, 0.00289972/step Wall: 4718, 0.00289972/step, 2.71881 hours remaining, 205.449219 MB of memory in use. ENERGY: 1624600 760.1362 2188.0155 1991.5973 111.6766 -205265.5072 17346.2101 0.0000 0.0000 34287.1509 -148580.7205 299.4382 -182867.8714 -148483.8062 300.5715 -169.8321 -138.2073 559032.3711 3.5059 3.5076 PRESSURE: 1624800 336.814 -62.1658 -64.5513 -62.1663 -59.5627 210.102 -64.5501 210.103 63.9681 GPRESSURE: 1624800 332.565 21.1167 -68.9533 -90.7012 29.4893 193.586 3.88689 237.677 72.3336 PRESSAVG: 1624800 63.1504 18.2659 -4.93216 18.2659 -35.0442 -14.1493 -4.93216 -14.1493 -6.67723 GPRESSAVG: 1624800 62.4908 18.3167 -7.66991 20.8943 -35.9495 -12.526 -3.98083 -15.3003 -5.59625 TIMING: 1624800 CPU: 4718.58, 0.0028954/step Wall: 4718.58, 0.0028954/step, 2.7146 hours remaining, 205.652344 MB of memory in use. ENERGY: 1624800 774.8366 2097.8949 1969.0666 120.0711 -206006.5066 17953.8462 0.0000 0.0000 34371.9295 -148718.8616 300.1786 -183090.7911 -148621.4637 301.1618 113.7399 144.7960 557016.1737 7.1430 6.9817 PRESSURE: 1625000 123.134 -51.5991 -7.86999 -51.5982 309.259 -63.5901 -7.87126 -63.5883 237.411 GPRESSURE: 1625000 208.647 -50.443 -32.1041 -86.4347 292.757 -91.3342 -2.46355 -13.6992 265.164 PRESSAVG: 1625000 4.14764 -33.6256 20.9583 -33.6256 -25.7756 34.248 20.9582 34.2482 -7.25109 GPRESSAVG: 1625000 4.72749 -36.0769 23.2662 -33.3968 -25.6223 33.6112 20.18 35.1951 -7.60511 TIMING: 1625000 CPU: 4719.17, 0.00291428/step Wall: 4719.17, 0.00291428/step, 2.73214 hours remaining, 205.718750 MB of memory in use. ENERGY: 1625000 719.5749 2095.5069 1970.7044 134.1665 -206530.8043 18171.1661 0.0000 0.0000 34645.5897 -148794.0959 302.5686 -183439.6856 -148688.0338 300.8456 223.2682 255.5229 559330.8719 -9.6264 -9.5000 PRESSURE: 1625200 -15.8784 138.293 18.9702 138.293 -332.21 41.5913 18.9702 41.5918 -294.2 GPRESSURE: 1625200 -21.2214 99.6387 -19.4764 77.7506 -312.773 12.2085 -52.1557 56.4943 -221.95 PRESSAVG: 1625200 -16.671 -10.8897 -30.763 -10.8897 16.2458 -13.5411 -30.763 -13.541 -2.75721 GPRESSAVG: 1625200 -15.919 -7.69849 -30.1175 -11.0978 15.3551 -14.7226 -32.7542 -13.6215 -2.99545 TIMING: 1625200 CPU: 4719.75, 0.0029088/step Wall: 4719.75, 0.0029088/step, 2.72684 hours remaining, 205.718750 MB of memory in use. ENERGY: 1625200 770.9685 2106.7877 1973.2575 114.8318 -205434.7967 17461.9727 0.0000 0.0000 34118.1998 -148888.7787 297.9627 -183006.9785 -148796.9063 300.4071 -214.0963 -185.3149 560596.8940 -1.0608 -1.1865 PRESSURE: 1625400 37.9066 -44.0514 -58.3495 -44.0522 146.169 49.6645 -58.3503 49.666 18.0549 GPRESSURE: 1625400 34.5799 -66.1729 -113.815 10.9173 176.298 49.5893 -17.924 74.0279 79.582 PRESSAVG: 1625400 19.5703 38.4936 -13.6155 38.4936 -40.4915 8.78862 -13.6154 8.7885 5.8328 GPRESSAVG: 1625400 18.3641 36.7566 -15.2174 38.5423 -39.8985 10.2336 -12.57 8.48704 5.85393 TIMING: 1625400 CPU: 4720.33, 0.00289516/step Wall: 4720.33, 0.00289516/step, 2.71389 hours remaining, 205.718750 MB of memory in use. ENERGY: 1625400 797.9119 2091.5773 1975.0084 130.2856 -206312.7613 18113.6293 0.0000 0.0000 34248.0642 -148956.2848 299.0969 -183204.3489 -148857.2763 299.7048 67.3768 96.8199 557677.3711 -5.0295 -5.2268 PRESSURE: 1625600 24.024 -61.3691 -94.6069 -61.368 -14.2769 181.703 -94.608 181.702 -276.069 GPRESSURE: 1625600 52.1018 -42.5136 -73.2372 -96.6993 -53.0524 223.074 -88.1597 154.124 -163.087 PRESSAVG: 1625600 15.4263 37.7351 40.1289 37.7351 11.6954 7.9571 40.1289 7.95711 -3.33476 GPRESSAVG: 1625600 14.9139 38.1838 41.5809 36.7069 12.0867 7.08972 39.1135 6.76449 -2.89142 TIMING: 1625600 CPU: 4720.9, 0.00288716/step Wall: 4720.9, 0.00288716/step, 2.70623 hours remaining, 205.718750 MB of memory in use. ENERGY: 1625600 749.3428 2077.6530 1922.1609 121.5232 -205733.7112 17539.2450 0.0000 0.0000 34298.7231 -149025.0632 299.5393 -183323.7864 -148928.6153 299.7781 -88.7741 -54.6792 556861.3067 7.9290 8.0364 PRESSURE: 1625800 167.47 43.3351 35.7274 43.3346 156.3 -108.429 35.7272 -108.429 134.922 GPRESSURE: 1625800 232.676 108.635 84.1784 -135.815 207.959 -64.9458 21.2022 -113.45 121.316 PRESSAVG: 1625800 73.9785 -18.7186 31.0203 -18.7184 -67.8061 7.05059 31.0203 7.05063 -19.4034 GPRESSAVG: 1625800 75.4218 -19.4382 30.0242 -17.8542 -69.0231 7.36781 34.5424 8.58276 -19.6822 TIMING: 1625800 CPU: 4721.49, 0.00290806/step Wall: 4721.49, 0.00290806/step, 2.72566 hours remaining, 205.851562 MB of memory in use. ENERGY: 1625800 750.9358 2142.5490 1949.3452 126.3689 -206326.8801 17979.5280 0.0000 0.0000 34299.3967 -149078.7565 299.5452 -183378.1532 -148984.6877 299.7594 152.8973 187.3169 556306.4550 -4.4103 -4.4278 PRESSURE: 1626000 13.7489 7.84723 -67.7906 7.84741 -187.128 112.025 -67.7903 112.025 -109.008 GPRESSURE: 1626000 9.48746 -51.061 -130.22 69.4477 -148.847 125.809 13.9538 114.266 -50.3246 PRESSAVG: 1626000 25.973 16.4789 38.5957 16.4789 1.84736 25.9429 38.5956 25.9429 26.1193 GPRESSAVG: 1626000 25.8107 18.3145 37.8665 16.4541 2.02384 26.9219 37.2394 26.1148 25.8144 TIMING: 1626000 CPU: 4722.07, 0.00289492/step Wall: 4722.07, 0.00289492/step, 2.71318 hours remaining, 205.851562 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: 1626000 718.8070 2150.7585 1952.3326 113.2158 -205807.3071 17538.1946 0.0000 0.0000 34176.3515 -149157.6471 298.4706 -183333.9986 -149058.3089 300.1901 -94.1291 -63.2280 557359.9525 17.9799 17.8830 PRESSURE: 1626200 -135.807 9.65551 -114.818 9.65616 -86.0225 -8.00643 -114.818 -8.00677 76.7828 GPRESSURE: 1626200 -96.2163 20.9236 -170.46 32.1539 -6.04778 55.3896 -173.142 -29.4876 62.9394 PRESSAVG: 1626200 -9.15012 -9.58538 -11.0606 -9.58535 -108.93 -3.63569 -11.0606 -3.63566 104.886 GPRESSAVG: 1626200 -9.20503 -11.7363 -10.1785 -8.40457 -107.637 -3.50856 -11.7171 -4.56146 104.036 TIMING: 1626200 CPU: 4722.64, 0.00287167/step Wall: 4722.64, 0.00287167/step, 2.69124 hours remaining, 205.851562 MB of memory in use. ENERGY: 1626200 782.1088 2142.4747 1951.9294 119.2700 -206303.1930 17842.0058 0.0000 0.0000 34460.4788 -149004.9255 300.9519 -183465.4043 -148913.6184 299.8539 -48.3490 -13.1082 556706.3446 -4.3980 -4.2687 PRESSURE: 1626400 68.7601 46.1156 -70.6242 46.117 35.8943 -184.965 -70.6241 -184.965 -294.475 GPRESSURE: 1626400 91.1856 39.1464 -24.9156 50.8747 90.0235 -160.957 -121.774 -208.696 -272.287 PRESSAVG: 1626400 -66.3082 59.8552 -20.6256 59.8551 81.8686 -40.8883 -20.6255 -40.8882 3.06658 GPRESSAVG: 1626400 -67.6048 60.1485 -18.8381 59.4084 81.9943 -41.8725 -19.99 -38.2018 4.07427 TIMING: 1626400 CPU: 4723.22, 0.00289078/step Wall: 4723.22, 0.00289078/step, 2.70898 hours remaining, 205.851562 MB of memory in use. ENERGY: 1626400 785.5564 2109.8319 1916.9599 117.9876 -206287.0244 17891.1870 0.0000 0.0000 34514.0837 -148951.4179 301.4201 -183465.5017 -148859.0514 300.0149 -63.2736 -30.3592 557807.9742 6.2090 6.1546 PRESSURE: 1626600 -203.514 -128.074 -93.1311 -128.073 -4.68487 37.6159 -93.1295 37.6173 -48.6935 GPRESSURE: 1626600 -138.194 -93.5796 -102.331 -144.75 -3.43935 79.8134 -109.03 60.0722 -17.9325 PRESSAVG: 1626600 0.86342 -17.3414 37.3304 -17.3414 9.54499 -22.7345 37.3304 -22.7344 -16.5414 GPRESSAVG: 1626600 1.61663 -15.842 35.4552 -14.9618 8.86113 -22.9844 37.5256 -22.8102 -16.9121 TIMING: 1626600 CPU: 4723.79, 0.00287612/step Wall: 4723.79, 0.00287612/step, 2.69508 hours remaining, 205.851562 MB of memory in use. ENERGY: 1626600 761.5309 2150.3083 1921.6891 117.7798 -206170.4694 17789.8618 0.0000 0.0000 34265.4960 -149163.8035 299.2491 -183429.2995 -149062.1483 300.0342 -85.6308 -53.1888 558766.5454 -2.0443 -2.1448 PRESSURE: 1626800 -252.071 -49.8273 131.864 -49.8258 -340.306 123.55 131.864 123.55 -209.471 GPRESSURE: 1626800 -235.972 10.4725 105.529 -117.932 -254.797 183.4 167.49 51.0741 -211.836 PRESSAVG: 1626800 15.9479 -15.4492 -36.9232 -15.4493 -26.9226 32.0437 -36.9231 32.0437 30.6822 GPRESSAVG: 1626800 15.7663 -15.261 -37.4517 -17.8076 -27.6889 34.2476 -36.5125 30.4609 31.2537 TIMING: 1626800 CPU: 4724.37, 0.00288611/step Wall: 4724.37, 0.00288611/step, 2.70428 hours remaining, 205.851562 MB of memory in use. ENERGY: 1626800 747.1356 2128.5114 1973.9712 130.9548 -205996.5351 17579.1972 0.0000 0.0000 34396.7934 -149039.9715 300.3958 -183436.7649 -148946.3163 299.8870 -267.2827 -234.2017 558809.5954 6.5692 6.4437 PRESSURE: 1627000 55.2247 139.797 -56.5135 139.797 60.9836 -2.37809 -56.5137 -2.37784 106.859 GPRESSURE: 1627000 44.8934 71.8356 -146.491 206.531 109.548 -98.8636 -79.1586 12.7239 179.108 PRESSAVG: 1627000 3.10756 33.4817 1.9809 33.4816 5.97656 32.0707 1.98092 32.0708 -44.6172 GPRESSAVG: 1627000 3.00435 32.0823 0.878158 34.4316 5.94563 31.0961 2.5616 31.6348 -44.8849 TIMING: 1627000 CPU: 4724.95, 0.0028766/step Wall: 4724.95, 0.0028766/step, 2.69522 hours remaining, 205.851562 MB of memory in use. ENERGY: 1627000 731.4980 2143.1433 1930.1776 116.0415 -205991.4829 17762.5854 0.0000 0.0000 34142.9410 -149165.0960 298.1788 -183308.0371 -149065.3845 299.6668 74.3557 111.1834 557173.3353 -11.8444 -11.9783 PRESSURE: 1627200 -141.585 15.7004 6.48531 15.7003 -293.994 40.9552 6.48544 40.9572 84.9558 GPRESSURE: 1627200 -44.9856 39.3341 65.3616 90.4845 -194.454 -49.2367 -45.3667 15.108 -12.4941 PRESSAVG: 1627200 -3.82778 -12.6114 -42.2724 -12.6114 -54.5791 0.960325 -42.2724 0.960401 45.7383 GPRESSAVG: 1627200 -3.52621 -11.8783 -38.6997 -13.6428 -53.8311 1.02302 -42.1794 1.9315 44.4715 TIMING: 1627200 CPU: 4725.52, 0.00287166/step Wall: 4725.52, 0.00287166/step, 2.69042 hours remaining, 205.851562 MB of memory in use. ENERGY: 1627200 731.3975 2037.6348 1947.6856 125.8253 -205891.9872 17575.1334 0.0000 0.0000 34328.0096 -149146.3010 299.7950 -183474.3106 -149042.6248 299.2702 -116.8744 -83.9778 557884.2067 -4.2229 -4.2953 PRESSURE: 1627400 -246.894 -126.749 18.0098 -126.75 35.2953 -56.4495 18.0103 -56.4507 243.717 GPRESSURE: 1627400 -174.485 -179.899 -16.3224 -97.0666 105.279 -48.3925 29.9675 -42.6455 212.583 PRESSAVG: 1627400 18.4158 26.2208 -11.4088 26.2208 20.1244 -47.2186 -11.4088 -47.2185 57.6532 GPRESSAVG: 1627400 18.6306 24.1704 -13.7739 26.5625 20.2265 -46.7628 -13.6478 -46.001 58.0219 TIMING: 1627400 CPU: 4726.1, 0.00288231/step Wall: 4726.1, 0.00288231/step, 2.70024 hours remaining, 205.851562 MB of memory in use. ENERGY: 1627400 765.6101 2073.6278 1963.0963 121.9090 -206367.7378 17932.7194 0.0000 0.0000 34414.6602 -149096.1149 300.5518 -183510.7751 -149003.2862 299.7723 10.7063 47.7922 556606.4437 32.0645 32.2930 PRESSURE: 1627600 126.102 -48.0787 -142.172 -48.0783 -77.4921 -123.657 -142.172 -123.658 -130.732 GPRESSURE: 1627600 166.1 -36.3901 -181.321 -40.9981 -47.5092 -183.305 -89.3732 -158.188 -101.261 PRESSAVG: 1627600 15.7379 -11.8472 -27.6184 -11.8471 -51.3103 -62.509 -27.6183 -62.509 40.1717 GPRESSAVG: 1627600 14.9123 -12.0531 -28.5567 -11.0604 -51.8932 -63.1798 -25.1621 -62.8146 41.9643 TIMING: 1627600 CPU: 4726.68, 0.0029235/step Wall: 4726.68, 0.0029235/step, 2.73867 hours remaining, 205.851562 MB of memory in use. ENERGY: 1627600 739.5007 2090.1821 1984.2187 116.4309 -206145.1108 17789.5783 0.0000 0.0000 34385.5025 -149039.6976 300.2971 -183425.2001 -148949.7725 299.6084 -27.3739 5.7766 556752.9596 1.5331 1.6612 PRESSURE: 1627800 -287.757 -164.431 -9.65288 -164.431 -17.8796 16.6803 -9.65322 16.6803 -83.059 GPRESSURE: 1627800 -209.539 -209.007 -67.8171 -168.644 28.0246 51.4944 -21.9646 -22.6194 -114.687 PRESSAVG: 1627800 0.0626834 11.5153 -7.51959 11.5155 3.17873 -55.8459 -7.5197 -55.8457 42.328 GPRESSAVG: 1627800 0.880549 13.0164 -5.85293 10.0589 3.55261 -55.4677 -8.65608 -56.1361 41.4285 TIMING: 1627800 CPU: 4727.26, 0.00289123/step Wall: 4727.26, 0.00289123/step, 2.70828 hours remaining, 205.851562 MB of memory in use. ENERGY: 1627800 766.7585 2097.3666 1940.9828 126.7208 -205751.8108 17528.5580 0.0000 0.0000 34234.5053 -149056.9187 298.9784 -183291.4240 -148960.1340 299.5405 -129.5652 -98.7340 556439.7405 15.1898 15.2872 PRESSURE: 1628000 -182.041 -19.517 12.6611 -19.5171 -5.12288 66.2858 12.6616 66.2867 -28.8066 GPRESSURE: 1628000 -162.468 39.1036 50.1683 -71.118 7.49595 140.348 103.903 12.0294 31.8334 PRESSAVG: 1628000 14.6536 -25.3364 37.9074 -25.3363 -16.9276 -0.725204 37.9075 -0.725317 25.7576 GPRESSAVG: 1628000 14.0138 -25.8988 38.1196 -24.7474 -16.6802 0.638061 37.9421 -1.47844 25.3684 TIMING: 1628000 CPU: 4727.83, 0.0028741/step Wall: 4727.83, 0.0028741/step, 2.69207 hours remaining, 205.851562 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: 1628000 755.8810 2059.3801 1956.1997 115.4430 -206015.5510 17585.5181 0.0000 0.0000 34504.1523 -149038.9768 301.3333 -183543.1291 -148941.7493 300.7873 -71.9902 -41.0463 555741.0960 7.8278 7.5673 PRESSURE: 1628200 -401.26 16.3065 128.566 16.307 -291.125 -60.5659 128.566 -60.5648 -373.729 GPRESSURE: 1628200 -382.626 -9.66644 148.591 57.7375 -267.975 -151.177 31.5564 1.96541 -330.139 PRESSAVG: 1628200 -25.7708 -26.811 -13.294 -26.811 -39.3397 -16.3062 -13.294 -16.3063 73.6993 GPRESSAVG: 1628200 -26.44 -27.9999 -13.8921 -26.2278 -40.0913 -17.432 -14.1468 -14.6873 75.6264 TIMING: 1628200 CPU: 4728.41, 0.00287974/step Wall: 4728.41, 0.00287974/step, 2.6972 hours remaining, 205.851562 MB of memory in use. ENERGY: 1628200 756.1245 2051.0704 1963.5762 112.7601 -205744.0237 17357.2436 0.0000 0.0000 34330.0084 -149173.2405 299.8125 -183503.2489 -149077.4051 300.0496 -355.3716 -326.9135 556917.8819 2.8629 3.0317 LDB: ============= START OF LOAD BALANCING ============== 4731.87 LDB: ============== END OF LOAD BALANCING =============== 4731.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4731.88 LDB: ============= START OF LOAD BALANCING ============== 4732.17 LDB: Largest compute 4821 load 0.031153 is 26.5% of average load 0.117692 LDB: Average compute 0.001715 is 1.5% of average load 0.117692 LDB: TIME 4732.17 LOAD: AVG 0.117692 MAX 0.177958 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.094 MB LDB: TIME 4732.17 LOAD: AVG 0.117692 MAX 0.177958 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: TIME 4732.17 LOAD: AVG 0.117692 MAX 0.177958 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: ============== END OF LOAD BALANCING =============== 4732.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4732.17 PRESSURE: 1628400 46.8329 -111.576 -110.771 -111.576 -112.773 -3.45809 -110.771 -3.45784 -121.163 GPRESSURE: 1628400 62.069 -43.6737 -142.009 -207.107 -26.7714 100.075 -88.722 -31.5163 -101.547 PRESSAVG: 1628400 3.73209 -64.1721 -24.5365 -64.1721 8.03843 -2.5718 -24.5365 -2.57169 10.965 GPRESSAVG: 1628400 3.83456 -61.4753 -25.9556 -64.462 9.39655 -0.505512 -22.87 -4.54548 9.12513 TIMING: 1628400 CPU: 4729, 0.00294513/step Wall: 4729, 0.00294513/step, 2.75828 hours remaining, 206.445312 MB of memory in use. ENERGY: 1628400 743.4352 2067.6015 1942.5800 102.6180 -206319.2370 17790.0275 0.0000 0.0000 34327.1388 -149345.8361 299.7874 -183672.9749 -149257.9148 298.6898 -62.3676 -22.0831 556720.2192 7.5785 7.4521 PRESSURE: 1628600 173.328 -118.476 51.3526 -118.476 -48.6415 105.513 51.353 105.512 -77.5902 GPRESSURE: 1628600 180.7 -101.597 61.2853 -131.611 37.8514 174.564 -5.10152 72.3198 -83.533 PRESSAVG: 1628600 5.51613 -46.5594 -3.55054 -46.5594 -27.4067 -66.6653 -3.55058 -66.6653 17.0535 GPRESSAVG: 1628600 5.99624 -47.7706 -3.27362 -45.3403 -28.2887 -69.1758 -2.96605 -64.5874 17.5389 TIMING: 1628600 CPU: 4729.58, 0.00288705/step Wall: 4729.58, 0.00288705/step, 2.70373 hours remaining, 206.554688 MB of memory in use. ENERGY: 1628600 758.9435 2142.8198 1983.0793 118.3677 -206292.2560 17796.6555 0.0000 0.0000 34203.9712 -149288.4190 298.7118 -183492.3901 -149186.7886 298.7133 15.6988 45.0062 557238.1240 -1.6124 -1.5845 PRESSURE: 1628800 -107.9 -93.0233 -99.7173 -93.0229 -128.347 -44.7369 -99.7172 -44.7362 201.323 GPRESSURE: 1628800 -36.9243 -167.575 -145.664 -97.4122 -159.135 -158.588 -76.6744 31.2699 243.548 PRESSAVG: 1628800 32.736 -10.4059 -10.4663 -10.4059 -40.1136 -32.9501 -10.4663 -32.9498 -0.737508 GPRESSAVG: 1628800 33.1445 -10.0475 -9.92665 -10.7816 -40.2428 -32.5383 -10.6928 -34.0198 -0.743467 TIMING: 1628800 CPU: 4730.15, 0.00287953/step Wall: 4730.15, 0.00287953/step, 2.69652 hours remaining, 206.554688 MB of memory in use. ENERGY: 1628800 758.3047 2126.9282 1912.0447 100.7123 -206256.6459 17860.0681 0.0000 0.0000 34135.7014 -149362.8864 298.1156 -183498.5879 -149252.2492 298.6447 -11.6415 15.8297 557207.0374 -2.7050 -2.6139 PRESSURE: 1629000 95.0365 35.6192 136.253 35.6191 284.025 54.4514 136.254 54.4515 244.598 GPRESSURE: 1629000 120 68.8406 122.946 8.35196 280.921 72.7359 187.764 59.8192 328.011 PRESSAVG: 1629000 101.848 -58.6921 -51.9897 -58.6921 -32.5319 -15.3718 -51.9898 -15.3718 -50.8638 GPRESSAVG: 1629000 100.499 -59.9851 -52.7658 -58.745 -31.3649 -14.0459 -52.5877 -14.6196 -49.8337 TIMING: 1629000 CPU: 4730.73, 0.0028786/step Wall: 4730.73, 0.0028786/step, 2.69549 hours remaining, 206.554688 MB of memory in use. ENERGY: 1629000 743.8128 2063.6605 1944.3968 112.1444 -206456.7533 18055.1335 0.0000 0.0000 34138.7576 -149398.8476 298.1423 -183537.6052 -149296.9311 298.8861 207.8866 242.9772 555548.4338 6.1509 6.4334 PRESSURE: 1629200 -83.2609 -47.9981 43.3878 -47.9991 -413.744 -102.208 43.3885 -102.207 -123.282 GPRESSURE: 1629200 -57.1815 -54.9016 9.67604 -12.5088 -357.045 -111.586 122.702 -37.7695 -117.467 PRESSAVG: 1629200 48.5895 -38.5722 41.5218 -38.5723 -37.3731 14.8749 41.5218 14.875 12.863 GPRESSAVG: 1629200 50.2791 -37.7031 42.2169 -37.8097 -38.8833 11.8193 41.2433 15.9496 12.0457 TIMING: 1629200 CPU: 4731.31, 0.00289886/step Wall: 4731.31, 0.00289886/step, 2.7143 hours remaining, 206.554688 MB of memory in use. ENERGY: 1629200 776.1662 2042.9841 1959.9600 121.2523 -205608.9619 17373.6698 0.0000 0.0000 34026.0243 -149308.9053 297.1577 -183334.9296 -149213.2366 298.7533 -206.7625 -177.2309 557933.7348 8.0265 7.8138 PRESSURE: 1629400 127.798 36.265 -203.465 36.2644 -234.818 -47.1219 -203.465 -47.1229 28.1787 GPRESSURE: 1629400 119.733 26.5199 -212.424 108.615 -166.989 -49.4344 -133.379 -80.0449 80.4101 PRESSAVG: 1629400 43.4373 -23.6432 -2.60892 -23.6432 -8.28178 26.7457 -2.60893 26.7458 -10.9835 GPRESSAVG: 1629400 42.6078 -22.6077 -2.68745 -23.4866 -6.8862 29.6386 -4.33664 23.782 -11.6895 TIMING: 1629400 CPU: 4731.88, 0.00288342/step Wall: 4731.88, 0.00288342/step, 2.69968 hours remaining, 206.554688 MB of memory in use. ENERGY: 1629400 791.4682 2077.4126 1975.5235 112.7633 -206226.5432 17804.3183 0.0000 0.0000 34305.9459 -149159.1113 299.6024 -183465.0572 -149062.2276 298.5553 -26.2807 11.0515 556235.8474 8.0573 8.0107 PRESSURE: 1629600 7.29964 -3.78558 -29.1501 -3.7849 -108.124 -167.326 -29.1497 -167.327 3.66119 GPRESSURE: 1629600 41.2254 -25.9491 -14.0149 -21.0724 -61.7607 -111.156 -103.06 -233.103 21.0368 PRESSAVG: 1629600 33.7922 -11.3937 -22.7021 -11.3938 -20.5275 34.263 -22.7021 34.263 -2.55122 GPRESSAVG: 1629600 34.9365 -12.9492 -23.265 -12.2835 -21.4006 34.5509 -19.1168 35.1196 -2.23641 TIMING: 1629600 CPU: 4732.46, 0.0028917/step Wall: 4732.46, 0.0028917/step, 2.70727 hours remaining, 206.554688 MB of memory in use. ENERGY: 1629600 754.6240 2085.2360 1964.9820 103.9243 -206003.3021 17673.7609 0.0000 0.0000 34213.3154 -149207.4595 298.7934 -183420.7749 -149103.9024 298.7200 -32.3876 0.1672 557495.5261 3.5712 3.7665 PRESSURE: 1629800 -315.829 -224.005 39.7102 -224.004 -234.917 3.6778 39.7096 3.67623 -108.757 GPRESSURE: 1629800 -343.655 -221.051 55.8386 -228.052 -121.793 -7.27351 22.8315 -2.92929 -101.01 PRESSAVG: 1629800 -40.1504 -17.1449 45.8593 -17.1449 -61.6147 -45.2485 45.8592 -45.2486 59.4325 GPRESSAVG: 1629800 -39.3215 -16.0834 44.7321 -17.7274 -61.0894 -45.0164 44.33 -45.8805 58.1188 TIMING: 1629800 CPU: 4733.04, 0.00289086/step Wall: 4733.04, 0.00289086/step, 2.70633 hours remaining, 206.554688 MB of memory in use. ENERGY: 1629800 779.0981 2057.7291 1951.9126 120.2351 -205682.8526 17484.1213 0.0000 0.0000 34152.0423 -149137.7140 298.2583 -183289.7563 -149042.7988 298.6160 -219.8343 -188.8193 558230.5735 -14.1109 -14.0974 PRESSURE: 1630000 340.053 -44.6617 90.5762 -44.662 107.989 28.5826 90.5768 28.5836 76.7835 GPRESSURE: 1630000 367.651 -7.25253 119.421 -47.284 134.409 107.833 74.0868 -53.2047 128.452 PRESSAVG: 1630000 70.5924 -23.8362 52.5004 -23.8361 3.62885 -33.2359 52.5004 -33.2359 -58.5959 GPRESSAVG: 1630000 69.8036 -24.2283 54.9959 -22.3351 2.94043 -32.504 52.0315 -34.4619 -57.2809 TIMING: 1630000 CPU: 4733.63, 0.00291862/step Wall: 4733.63, 0.00291862/step, 2.73215 hours remaining, 206.554688 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: 1630000 763.2734 2110.1705 1938.0364 122.4000 -206312.9487 18087.4492 0.0000 0.0000 34179.9707 -149111.6484 298.5022 -183291.6191 -149022.7569 299.5130 174.9416 210.1706 555222.5257 5.2084 5.1544 PRESSURE: 1630200 -241.766 -92.2343 61.8816 -92.235 -168.349 12.835 61.882 12.8364 -311.022 GPRESSURE: 1630200 -201.822 -62.7937 126.426 -119.975 -140.053 -28.9373 167.978 47.1143 -285.878 PRESSAVG: 1630200 59.7861 -40.3657 -7.46768 -40.3657 19.87 13.7787 -7.46778 13.7788 -129.211 GPRESSAVG: 1630200 60.0834 -40.2372 -9.0705 -39.5273 18.6787 11.0946 -4.04574 17.0626 -128.903 TIMING: 1630200 CPU: 4734.2, 0.00289469/step Wall: 4734.2, 0.00289469/step, 2.70959 hours remaining, 206.554688 MB of memory in use. ENERGY: 1630200 782.1167 2049.6687 1982.2276 120.0208 -205836.5986 17352.2456 0.0000 0.0000 34471.5457 -149078.7734 301.0486 -183550.3192 -148979.7012 299.2040 -240.3788 -209.2511 556997.2909 -16.5184 -16.7136 PRESSURE: 1630400 100.236 -145.954 -117.477 -145.953 22.4365 -33.6475 -117.477 -33.6476 -239.524 GPRESSURE: 1630400 130.297 -73.9192 -36.8178 -156.001 45.4269 -93.432 -201.618 0.394513 -182.99 PRESSAVG: 1630400 28.9389 -67.6189 4.37498 -67.6189 3.98861 12.2584 4.37491 12.2585 -38.6336 GPRESSAVG: 1630400 28.3489 -66.3781 6.50847 -70.1179 5.6248 13.4925 0.780769 9.83223 -39.8618 TIMING: 1630400 CPU: 4734.78, 0.00287334/step Wall: 4734.78, 0.00287334/step, 2.68945 hours remaining, 206.554688 MB of memory in use. ENERGY: 1630400 747.0717 2066.0450 1971.7620 113.1723 -206084.8758 17670.5270 0.0000 0.0000 34508.0855 -149008.2121 301.3677 -183516.2977 -148913.9684 299.5445 -38.9504 -2.4221 556646.3087 -1.9020 -1.9627 PRESSURE: 1630600 -0.241433 113.623 49.0994 113.623 17.1362 194.412 49.1013 194.412 -189.164 GPRESSURE: 1630600 23.3061 147.879 15.364 121.949 38.7488 214.37 8.11105 296.264 -145.242 PRESSAVG: 1630600 1.95107 -17.9868 -28.1219 -17.9868 0.226397 8.83721 -28.1219 8.83707 -22.0661 GPRESSAVG: 1630600 1.88791 -19.2942 -30.726 -17.5424 0.353249 7.55192 -26.0837 10.0561 -22.3128 TIMING: 1630600 CPU: 4735.36, 0.00289989/step Wall: 4735.36, 0.00289989/step, 2.71414 hours remaining, 206.554688 MB of memory in use. ENERGY: 1630600 768.7563 2078.7061 1950.2708 121.0956 -206108.8866 17672.5902 0.0000 0.0000 34353.0126 -149164.4551 300.0134 -183517.4677 -149069.2874 300.1545 -57.4230 -27.7292 555759.3261 -6.6295 -6.6906 PRESSURE: 1630800 -104.785 138.027 -22.046 138.027 -337.652 -85.0429 -22.0456 -85.0425 -8.66319 GPRESSURE: 1630800 -55.218 159.735 -87.0074 126.915 -323.462 -189.224 -62.4414 30.379 20.7322 PRESSAVG: 1630800 18.7677 4.61649 -33.9163 4.61646 -31.0869 3.10409 -33.9163 3.10403 1.92409 GPRESSAVG: 1630800 18.4581 4.6619 -32.7375 5.3234 -31.6229 4.36551 -36.0654 3.5026 2.65192 TIMING: 1630800 CPU: 4735.93, 0.00287758/step Wall: 4735.93, 0.00287758/step, 2.6931 hours remaining, 206.554688 MB of memory in use. ENERGY: 1630800 740.2622 2058.9689 1942.4737 117.1354 -205956.9658 17517.6985 0.0000 0.0000 34206.1237 -149374.3034 298.7306 -183580.4270 -149273.0310 299.5005 -150.3668 -119.3160 556811.8980 -3.4650 -3.5043 PRESSURE: 1631000 192.473 -182.199 -34.0198 -182.199 -137.477 18.186 -34.0174 18.1861 99.8238 GPRESSURE: 1631000 228.563 -213.681 36.8754 -172.703 -106.417 63.888 -56.4402 8.70945 118.382 PRESSAVG: 1631000 -8.6294 0.163502 -48.7341 0.163473 48.2737 14.5064 -48.734 14.5064 -14.2176 GPRESSAVG: 1631000 -7.81183 -0.995684 -48.1526 0.21142 48.7324 15.5973 -47.1987 14.8627 -15.3562 TIMING: 1631000 CPU: 4736.51, 0.0028889/step Wall: 4736.51, 0.0028889/step, 2.70353 hours remaining, 206.554688 MB of memory in use. ENERGY: 1631000 769.3127 2079.4329 1944.1067 118.9342 -206332.2002 17835.5226 0.0000 0.0000 34261.1173 -149323.7737 299.2109 -183584.8910 -149230.3254 298.6784 51.6066 80.1760 556812.7583 8.4756 8.5214 PRESSURE: 1631200 -94.5686 -3.98261 -214.939 -3.98257 37.8911 -28.0092 -214.939 -28.009 -247.523 GPRESSURE: 1631200 -73.9772 5.01194 -170.651 10.383 81.1095 -7.03282 -227.908 -31.9091 -205.309 PRESSAVG: 1631200 11.8744 -22.6172 -6.61493 -22.6173 17.9841 -17.4143 -6.61497 -17.4145 -56.4579 GPRESSAVG: 1631200 11.4495 -21.96 -4.14856 -22.7686 17.4292 -16.9952 -8.79158 -19.0349 -55.353 TIMING: 1631200 CPU: 4737.09, 0.00290036/step Wall: 4737.09, 0.00290036/step, 2.71409 hours remaining, 206.554688 MB of memory in use. ENERGY: 1631200 759.4446 2121.5196 1948.0199 121.9661 -206004.4099 17564.3523 0.0000 0.0000 34280.7846 -149208.3227 299.3826 -183489.1073 -149113.5331 299.4849 -101.4003 -66.0588 556172.4171 -8.8665 -8.8248 PRESSURE: 1631400 87.9952 110.609 -30.5357 110.611 173.727 47.8453 -30.5365 47.8434 317.214 GPRESSURE: 1631400 100.315 149.042 13.7198 174.331 215.707 40.9109 -124.574 70.4784 359.415 PRESSAVG: 1631400 33.7717 -5.44703 34.7257 -5.44714 -14.0283 -2.51211 34.7258 -2.5122 -4.84511 GPRESSAVG: 1631400 34.3252 -5.56623 31.8431 -5.7648 -14.2181 -4.59593 37.0208 -0.426791 -5.24903 TIMING: 1631400 CPU: 4737.67, 0.00288689/step Wall: 4737.67, 0.00288689/step, 2.70133 hours remaining, 206.554688 MB of memory in use. ENERGY: 1631400 672.8303 2108.1897 1966.7231 113.3544 -206439.3044 17886.1027 0.0000 0.0000 34230.2463 -149461.8579 298.9413 -183692.1042 -149359.5392 298.7272 192.9788 225.1455 556214.3398 4.9661 4.9527 PRESSURE: 1631600 -117.815 -88.3979 -57.6103 -88.3966 167.922 -29.1452 -57.611 -29.1468 -42.3644 GPRESSURE: 1631600 -59.5811 -49.0386 -98.5463 -171.327 139.547 -65.8123 -53.1838 13.2358 21.2689 PRESSAVG: 1631600 -30.2518 41.3221 -49.6396 41.3221 4.3401 -41.3587 -49.6396 -41.3586 67.9745 GPRESSAVG: 1631600 -31.0504 40.6667 -48.2475 41.3034 5.04949 -40.7609 -51.7426 -42.6009 67.8968 TIMING: 1631600 CPU: 4738.25, 0.00288796/step Wall: 4738.25, 0.00288796/step, 2.70216 hours remaining, 206.554688 MB of memory in use. ENERGY: 1631600 750.4105 2087.4145 1972.1551 116.8085 -206476.1121 18072.6352 0.0000 0.0000 34119.8907 -149356.7976 297.9775 -183476.6883 -149262.6575 298.9845 2.5807 33.7449 556003.2808 14.0210 13.9653 PRESSURE: 1631800 -250.028 -89.3594 27.404 -89.3593 -280.971 -123.214 27.4043 -123.214 -186.565 GPRESSURE: 1631800 -194.61 -107.957 18.753 -14.6504 -273.337 -173.641 13.1432 -121.009 -165.092 PRESSAVG: 1631800 15.234 47.2548 -5.05701 47.2548 20.1507 -31.2404 -5.05714 -31.2404 -25.2075 GPRESSAVG: 1631800 16.6944 47.2448 -3.94875 48.4324 19.3937 -31.8774 -5.36669 -30.0935 -26.0994 TIMING: 1631800 CPU: 4738.82, 0.00288569/step Wall: 4738.82, 0.00288569/step, 2.69988 hours remaining, 206.554688 MB of memory in use. ENERGY: 1631800 752.3580 2125.7648 1944.1163 125.6364 -205722.9944 17308.9743 0.0000 0.0000 34273.4648 -149192.6797 299.3187 -183466.1445 -149094.2194 299.5643 -239.1879 -211.0132 557672.2720 3.3924 3.3296 PRESSURE: 1632000 -73.1878 96.8007 -65.8265 96.8007 -257.834 -27.7798 -65.8254 -27.7777 -20.1759 GPRESSURE: 1632000 -45.3505 107.432 17.1039 49.1238 -141.001 -60.6051 -166.019 -26.3696 -62.2753 PRESSAVG: 1632000 36.7862 27.2718 -37.3914 27.2717 -28.5688 -41.6832 -37.3915 -41.6832 34.6914 GPRESSAVG: 1632000 35.9049 27.8764 -38.756 26.2925 -28.0526 -41.1585 -38.1358 -41.5504 35.4777 TIMING: 1632000 CPU: 4739.4, 0.00289974/step Wall: 4739.4, 0.00289974/step, 2.71287 hours remaining, 206.554688 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: 1632000 780.4402 2079.1129 1971.4760 114.2515 -206017.8005 17719.2602 0.0000 0.0000 34262.9268 -149090.3330 299.2267 -183353.2597 -148994.4360 299.4444 -117.0658 -82.8756 556893.0122 14.3029 14.4434 PRESSURE: 1632200 -188.552 65.0894 -77.9908 65.0896 -104.425 -43.3623 -77.9896 -43.363 133.989 GPRESSURE: 1632200 -120.343 102.252 -69.2301 76.6833 -126.07 -30.6546 -12.985 -13.5223 179.006 PRESSAVG: 1632200 24.6978 -23.8951 -44.2481 -23.8951 -2.05547 5.51539 -44.2481 5.5154 50.1724 GPRESSAVG: 1632200 25.8059 -21.8426 -45.8752 -25.743 -0.94838 4.26246 -42.4163 4.95462 48.0917 TIMING: 1632200 CPU: 4739.99, 0.0029053/step Wall: 4739.99, 0.0029053/step, 2.71791 hours remaining, 206.554688 MB of memory in use. ENERGY: 1632200 751.0710 2043.7596 1964.6470 119.3086 -206357.3508 18012.9132 0.0000 0.0000 34360.2886 -149105.3629 300.0769 -183465.6515 -149007.6522 300.1785 -52.9958 -22.4690 558441.9617 24.2716 24.3164 LDB: ============= START OF LOAD BALANCING ============== 4743.45 LDB: ============== END OF LOAD BALANCING =============== 4743.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4743.45 LDB: ============= START OF LOAD BALANCING ============== 4743.75 LDB: Largest compute 4821 load 0.030915 is 26.3% of average load 0.117644 LDB: Average compute 0.001716 is 1.5% of average load 0.117644 LDB: TIME 4743.75 LOAD: AVG 0.117644 MAX 0.179241 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 4743.75 LOAD: AVG 0.117644 MAX 0.179241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: TIME 4743.75 LOAD: AVG 0.117644 MAX 0.179241 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: ============== END OF LOAD BALANCING =============== 4743.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4743.76 PRESSURE: 1632400 -72.755 -65.1888 -69.2723 -65.191 223.972 266.402 -69.2712 266.404 -9.02093 GPRESSURE: 1632400 -28.4585 -6.02119 32.4201 -84.0495 253.8 258.06 -94.5823 156.763 22.7021 PRESSAVG: 1632400 -21.7734 -16.3761 75.8143 -16.3762 -0.198444 87.5419 75.8143 87.5419 29.1216 GPRESSAVG: 1632400 -21.8016 -17.8306 76.8897 -13.4491 -0.615353 88.198 73.6798 87.0497 29.9599 TIMING: 1632400 CPU: 4740.58, 0.00297469/step Wall: 4740.58, 0.00297469/step, 2.78266 hours remaining, 205.445312 MB of memory in use. ENERGY: 1632400 725.8949 2075.2362 1929.5153 113.3464 -205881.3827 17742.7464 0.0000 0.0000 34163.1014 -149131.5420 298.3549 -183294.6434 -149030.3024 300.0360 47.3988 82.6811 557460.3558 2.3832 2.5143 PRESSURE: 1632600 39.506 -115.388 204.983 -115.387 20.8022 34.6079 204.983 34.6069 12.3897 GPRESSURE: 1632600 89.4442 -98.4441 132.215 -126.389 9.25858 12.8037 242.044 -9.50579 73.9164 PRESSAVG: 1632600 18.4877 -23.8626 10.0987 -23.8626 -18.2204 41.5356 10.0987 41.5355 7.20163 GPRESSAVG: 1632600 17.2146 -24.0131 12.9513 -25.34 -17.7494 41.6373 9.46264 41.8645 7.45548 TIMING: 1632600 CPU: 4741.17, 0.00293875/step Wall: 4741.17, 0.00293875/step, 2.74888 hours remaining, 205.648438 MB of memory in use. ENERGY: 1632600 741.8248 2089.6469 1969.3710 124.4989 -205916.1360 17741.1303 0.0000 0.0000 34188.7387 -149060.9254 298.5788 -183249.6640 -148962.6835 300.6472 24.2327 57.5397 557896.9638 2.4896 2.3069 PRESSURE: 1632800 -202.491 53.9845 88.1532 53.9846 108.407 30.2648 88.1536 30.2649 -45.6239 GPRESSURE: 1632800 -191.217 -27.1442 50.7933 69.3955 155.839 34.2255 62.7551 -0.518856 -5.11047 PRESSAVG: 1632800 21.0571 -13.1929 71.9575 -13.1929 21.5701 16.9862 71.9576 16.9863 -39.2177 GPRESSAVG: 1632800 22.3271 -14.9769 68.5817 -11.2622 20.2797 15.5439 74.0458 18.6265 -38.8731 TIMING: 1632800 CPU: 4741.76, 0.00294147/step Wall: 4741.76, 0.00294147/step, 2.75125 hours remaining, 205.648438 MB of memory in use. ENERGY: 1632800 787.0775 2125.1716 1969.2561 133.1746 -206088.2539 17734.9985 0.0000 0.0000 34321.1550 -149017.4206 299.7352 -183338.5756 -148928.3572 300.3131 -46.5693 -13.4963 556603.0644 1.1365 1.2446 PRESSURE: 1633000 -22.2288 -32.2938 78.3029 -32.2937 50.0105 189.709 78.3015 189.708 41.5555 GPRESSURE: 1633000 99.6404 -47.4836 131.436 -94.0034 52.9512 170.845 50.9121 121.565 11.8248 PRESSAVG: 1633000 19.9599 -13.5597 -41.4944 -13.5596 7.2992 24.2705 -41.4945 24.2706 -43.9677 GPRESSAVG: 1633000 19.636 -13.0835 -39.7857 -13.3525 7.44954 25.141 -41.7673 25.2714 -43.3324 TIMING: 1633000 CPU: 4742.35, 0.0029461/step Wall: 4742.35, 0.0029461/step, 2.75542 hours remaining, 205.648438 MB of memory in use. ENERGY: 1633000 744.5985 2107.7921 1968.8000 107.9885 -206120.7424 17638.0370 0.0000 0.0000 34309.2541 -149244.2722 299.6312 -183553.5263 -149147.6608 299.6919 23.1124 54.8054 557314.5949 -5.5696 -5.4156 PRESSURE: 1633200 -317.792 -74.8524 -193.236 -74.8537 -97.3145 -22.6474 -193.237 -22.6459 -126.375 GPRESSURE: 1633200 -318.767 15.3711 -220.2 -146.871 -7.06993 -69.2398 -142.02 -50.4509 -114.803 PRESSAVG: 1633200 -4.97804 -67.5074 -15.3448 -67.5073 -12.9753 12.8447 -15.3448 12.8447 84.6314 GPRESSAVG: 1633200 -5.99667 -64.5258 -17.4346 -70.9426 -11.8298 13.3105 -15.0646 11.0164 84.4907 TIMING: 1633200 CPU: 4742.93, 0.00294561/step Wall: 4742.93, 0.00294561/step, 2.7548 hours remaining, 205.648438 MB of memory in use. ENERGY: 1633200 730.2927 2053.3867 1975.6877 110.7834 -206229.7553 17533.2365 0.0000 0.0000 34566.7181 -149259.6502 301.8797 -183826.3683 -149158.4147 300.4629 -180.4938 -146.8797 557570.0366 22.2260 22.2214 PRESSURE: 1633400 -268.191 -44.8929 69.6308 -44.8931 -222.037 35.4241 69.6318 35.425 -179.866 GPRESSURE: 1633400 -189.624 -129.291 82.0778 -86.8397 -206.876 80.1996 59.3905 -35.7936 -179.28 PRESSAVG: 1633400 -43.8343 36.4285 -61.0498 36.4285 23.2953 -40.7496 -61.0498 -40.7497 40.0974 GPRESSAVG: 1633400 -43.2343 34.5281 -60.7536 38.2893 23.1505 -40.4947 -59.6621 -42.6958 39.4691 TIMING: 1633400 CPU: 4743.52, 0.00290773/step Wall: 4743.52, 0.00290773/step, 2.71921 hours remaining, 205.718750 MB of memory in use. ENERGY: 1633400 779.4031 2032.5965 1974.5574 108.1209 -206033.3998 17566.1222 0.0000 0.0000 34340.6196 -149231.9801 299.9052 -183572.5997 -149130.4239 299.8931 -223.3646 -191.9266 559369.9179 6.5195 6.4618 PRESSURE: 1633600 -6.64534 -202.364 53.9511 -202.364 104.237 73.9599 53.9519 73.9601 30.5754 GPRESSURE: 1633600 -6.95003 -237.506 -68.7207 -232.573 154.205 37.8436 61.6239 18.0079 74.0656 PRESSAVG: 1633600 23.044 -19.7046 15.0491 -19.7046 -7.62965 13.8205 15.049 13.8205 2.37407 GPRESSAVG: 1633600 22.5725 -19.4526 16.0491 -20.7344 -8.45928 14.1587 13.5104 14.2586 3.78078 TIMING: 1633600 CPU: 4744.1, 0.00291959/step Wall: 4744.1, 0.00291959/step, 2.73014 hours remaining, 205.718750 MB of memory in use. ENERGY: 1633600 739.0178 2082.3562 1954.7208 126.5890 -206340.2524 17928.8888 0.0000 0.0000 34162.7892 -149345.8905 298.3521 -183508.6797 -149258.0106 298.6462 42.7225 73.7736 558437.4464 5.9295 5.9647 PRESSURE: 1633800 79.9218 -27.0012 172.144 -27.0014 -98.2297 25.6194 172.143 25.6198 -96.0871 GPRESSURE: 1633800 64.4191 -46.5547 170.388 24.6405 -51.0363 82.8515 194.5 -14.9162 -44.3825 PRESSAVG: 1633800 -39.9239 -10.7031 2.97432 -10.7031 75.7207 -6.2854 2.97433 -6.28533 -3.84627 GPRESSAVG: 1633800 -38.4418 -7.83287 2.28036 -10.2891 75.4845 -6.40062 4.28578 -4.97015 -5.13591 TIMING: 1633800 CPU: 4744.68, 0.00292004/step Wall: 4744.68, 0.00292004/step, 2.7304 hours remaining, 205.718750 MB of memory in use. ENERGY: 1633800 723.3044 2116.0999 1982.4516 117.3176 -206454.7726 17853.8990 0.0000 0.0000 34371.5377 -149290.1625 300.1752 -183661.7002 -149191.1326 299.5714 -38.1317 -10.3333 558350.3254 10.6502 10.6356 PRESSURE: 1634000 131.785 34.7151 139.001 34.7153 405.85 -32.0156 139.001 -32.0154 78.9681 GPRESSURE: 1634000 160.271 90.9385 232.865 -4.7436 459.176 -19.6552 76.6634 46.7046 94.9433 PRESSAVG: 1634000 58.7978 -45.8388 20.7195 -45.8389 9.78443 31.5845 20.7194 31.5844 -12.476 GPRESSAVG: 1634000 58.6124 -46.8584 21.5299 -45.6524 11.1636 32.6197 19.8501 30.0135 -13.3095 TIMING: 1634000 CPU: 4745.27, 0.00291514/step Wall: 4745.27, 0.00291514/step, 2.72566 hours remaining, 205.718750 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: 1634000 753.1690 2104.8130 1940.0579 120.6161 -206815.7903 18263.9982 0.0000 0.0000 34190.1148 -149443.0211 298.5908 -183633.1359 -149342.4758 299.4418 205.5344 238.1302 554936.6515 18.7021 18.8222 PRESSURE: 1634200 -127.239 -40.1866 -9.09403 -40.1867 -249.486 52.5567 -9.09435 52.5566 63.1591 GPRESSURE: 1634200 -77.2615 -109.228 -92.3846 7.87995 -247.666 50.0613 -1.89057 68.2387 108.147 PRESSAVG: 1634200 19.8441 -53.8971 59.2355 -53.8971 -9.19471 43.5562 59.2354 43.556 3.79733 GPRESSAVG: 1634200 18.2404 -57.1645 59.7449 -55.6519 -8.92281 42.9736 58.1481 44.8668 4.90835 TIMING: 1634200 CPU: 4745.85, 0.00290105/step Wall: 4745.85, 0.00290105/step, 2.71232 hours remaining, 205.718750 MB of memory in use. ENERGY: 1634200 724.7096 2084.9360 1957.5444 122.5585 -206138.6994 17614.0766 0.0000 0.0000 34188.4266 -149446.4477 298.5760 -183634.8743 -149339.5705 298.6654 -104.5218 -72.2602 557194.6312 4.8156 4.7420 PRESSURE: 1634400 185.538 136.028 55.4855 136.029 84.4715 69.4777 55.486 69.4776 428.596 GPRESSURE: 1634400 239.735 175.744 113.258 123.18 98.9057 60.8292 -52.7176 48.9445 447.334 PRESSAVG: 1634400 -76.5487 18.1633 -7.27497 18.1633 -43.0537 -41.676 -7.27491 -41.6761 75.117 GPRESSAVG: 1634400 -75.5137 21.2614 -8.73678 18.778 -44.6321 -43.051 -6.56874 -39.8366 75.6505 TIMING: 1634400 CPU: 4746.43, 0.00291029/step Wall: 4746.43, 0.00291029/step, 2.72079 hours remaining, 205.718750 MB of memory in use. ENERGY: 1634400 741.3614 2077.4448 1988.8372 105.9409 -206826.4508 18125.3525 0.0000 0.0000 34220.1292 -149567.3847 298.8529 -183787.5140 -149474.7382 298.9109 232.8684 261.9914 556009.1821 -14.8285 -14.8318 PRESSURE: 1634600 -99.9805 -68.6991 188.695 -68.7006 -2.75956 37.4017 188.695 37.4005 -245.897 GPRESSURE: 1634600 -50.8489 -78.015 171.216 -69.2332 52.3774 104.427 223.553 9.70813 -234.191 PRESSAVG: 1634600 40.7988 25.1016 41.661 25.1015 -9.84381 50.2243 41.6611 50.2243 64.2218 GPRESSAVG: 1634600 40.6044 23.8651 41.4385 25.5666 -9.50491 52.5547 41.7894 48.2318 64.43 TIMING: 1634600 CPU: 4747.01, 0.00291064/step Wall: 4747.01, 0.00291064/step, 2.72097 hours remaining, 205.718750 MB of memory in use. ENERGY: 1634600 755.5104 2079.7076 1956.2349 119.8651 -206095.1113 17559.2332 0.0000 0.0000 34288.1222 -149336.4379 299.4467 -183624.5601 -149241.7735 298.5724 -116.2122 -77.5543 556865.0260 31.7256 31.8432 PRESSURE: 1634800 -13.9226 129.122 36.6141 129.123 289.399 13.8266 36.6149 13.8265 -108.39 GPRESSURE: 1634800 48.5655 113.722 11.6148 148.906 278.959 -45.7992 -21.0802 116.849 -65.5824 PRESSAVG: 1634800 -49.1632 18.5167 35.0646 18.5168 -14.3842 -3.40231 35.0646 -3.4024 7.06378 GPRESSAVG: 1634800 -50.9723 19.3208 36.5601 17.6092 -12.7265 -3.1331 33.8546 -4.74359 7.24383 TIMING: 1634800 CPU: 4747.59, 0.00290931/step Wall: 4747.59, 0.00290931/step, 2.71956 hours remaining, 205.718750 MB of memory in use. ENERGY: 1634800 748.2785 2122.2420 1967.9563 108.3857 -206298.3319 17840.5493 0.0000 0.0000 34376.4069 -149134.5132 300.2177 -183510.9200 -149034.0679 298.5958 55.6955 87.3140 557846.0505 -18.8279 -18.8183 PRESSURE: 1635000 85.9921 -103.708 -34.1802 -103.707 -68.0217 -50.2223 -34.1795 -50.222 127.84 GPRESSURE: 1635000 98.2892 7.7806 -64.541 -131.886 -4.27883 -67.0153 38.3457 -49.359 124.693 PRESSAVG: 1635000 -39.5665 95.9278 60.0983 95.9278 -0.853748 -44.947 60.0983 -44.9469 36.7291 GPRESSAVG: 1635000 -38.2749 97.5099 58.9905 96.9357 -1.55473 -46.3818 60.8936 -43.8824 36.1608 TIMING: 1635000 CPU: 4748.17, 0.00290744/step Wall: 4748.17, 0.00290744/step, 2.71765 hours remaining, 205.718750 MB of memory in use. ENERGY: 1635000 722.5368 2102.5221 1966.2698 123.1167 -206212.8228 17754.5958 0.0000 0.0000 34412.0590 -149131.7227 300.5291 -183543.7817 -149036.3959 299.3255 48.6035 72.9010 556438.4561 -1.2304 -1.2230 PRESSURE: 1635200 259.679 -70.0738 60.9701 -70.0736 305.395 151.126 60.9703 151.127 -142.553 GPRESSURE: 1635200 255.18 -50.3939 34.0106 -52.2706 364.83 79.7959 31.4936 160.419 -100.183 PRESSAVG: 1635200 -34.842 70.0504 26.6228 70.0503 -28.0227 -26.0903 26.6229 -26.0904 81.1757 GPRESSAVG: 1635200 -34.5831 68.0096 28.1881 70.0709 -28.7211 -22.6961 25.6255 -27.756 81.3191 TIMING: 1635200 CPU: 4748.75, 0.00288659/step Wall: 4748.75, 0.00288659/step, 2.698 hours remaining, 205.718750 MB of memory in use. ENERGY: 1635200 702.5095 2147.0796 1972.3737 129.0363 -206620.8203 18122.5924 0.0000 0.0000 34302.5373 -149244.6914 299.5726 -183547.2287 -149150.1113 299.1142 140.8402 173.2755 555675.0739 6.1037 6.0049 PRESSURE: 1635400 -104.034 -10.6846 124.752 -10.685 -197.902 -1.31103 124.753 -1.31178 -134.755 GPRESSURE: 1635400 -73.3623 -73.1189 165.516 -0.791543 -172.718 -17.3371 140.856 43.9677 -85.3392 PRESSAVG: 1635400 -33.5666 1.96543 -36.5218 1.96532 48.618 -36.2839 -36.5217 -36.2838 -0.734165 GPRESSAVG: 1635400 -33.894 3.22356 -36.8887 0.839936 49.9605 -38.6031 -33.9537 -34.9873 -1.36315 TIMING: 1635400 CPU: 4749.33, 0.00289297/step Wall: 4749.33, 0.00289297/step, 2.7038 hours remaining, 205.718750 MB of memory in use. ENERGY: 1635400 720.7873 2088.5185 1973.9157 103.0360 -205867.3490 17434.7866 0.0000 0.0000 34359.9051 -149186.3998 300.0736 -183546.3049 -149080.1236 298.7349 -145.5639 -110.4731 557627.6880 4.7724 4.9011 PRESSURE: 1635600 -244.569 -7.03098 -104.839 -7.03045 249.612 32.5795 -104.838 32.5815 -308.105 GPRESSURE: 1635600 -199.284 -36.4505 -119.485 -66.042 204.136 39.942 -132.99 88.1027 -218.864 PRESSAVG: 1635600 25.0362 -12.2242 83.1409 -12.2242 9.31434 54.5312 83.1409 54.5312 -28.1377 GPRESSAVG: 1635600 25.4429 -12.5017 81.0099 -12.658 8.20958 56.0247 82.9075 53.2659 -27.5098 TIMING: 1635600 CPU: 4749.91, 0.0029035/step Wall: 4749.91, 0.0029035/step, 2.71348 hours remaining, 205.718750 MB of memory in use. ENERGY: 1635600 740.6007 2076.4663 1979.0953 118.1790 -206328.6282 17858.5061 0.0000 0.0000 34381.7975 -149173.9832 300.2648 -183555.7808 -149070.3811 299.6093 -101.0207 -71.3372 558618.7047 2.0710 2.0476 PRESSURE: 1635800 -76.4826 -14.3843 -3.50264 -14.3857 67.7026 -119.457 -3.50342 -119.456 -185.642 GPRESSURE: 1635800 -105.962 39.3223 -99.276 -25.4098 165.849 -245.227 47.4423 -28.6321 -151.514 PRESSAVG: 1635800 -0.667495 33.16 -8.21037 33.1601 -37.0315 10.927 -8.21032 10.927 46.9859 GPRESSAVG: 1635800 -1.29771 33.6362 -7.34515 35.0933 -37.466 10.7084 -9.75815 11.7365 47.965 TIMING: 1635800 CPU: 4750.49, 0.00291593/step Wall: 4750.49, 0.00291593/step, 2.72494 hours remaining, 205.718750 MB of memory in use. ENERGY: 1635800 720.2061 2030.5800 1991.6630 111.6290 -206062.6991 17747.4467 0.0000 0.0000 34117.6243 -149343.5500 297.9577 -183461.1743 -149245.2570 299.0672 -64.8073 -30.5425 557301.1065 3.0956 3.0671 PRESSURE: 1636000 -79.5011 -37.9806 -93.2822 -37.9813 12.4591 -61.1604 -93.2825 -61.1596 80.3264 GPRESSURE: 1636000 -59.6275 13.6267 -120.287 6.19984 61.2878 -105.429 -126.553 -91.0496 110.814 PRESSAVG: 1636000 -5.78751 54.1974 -7.83626 54.1975 20.6408 -2.67826 -7.83632 -2.67833 -5.32952 GPRESSAVG: 1636000 -4.12237 55.0097 -6.34128 54.0331 20.255 -3.70989 -8.50513 -3.31691 -7.41774 TIMING: 1636000 CPU: 4751.08, 0.00291766/step Wall: 4751.08, 0.00291766/step, 2.72639 hours remaining, 205.718750 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: 1636000 702.7506 2064.4451 2011.9647 128.5045 -206436.7230 17841.9271 0.0000 0.0000 34207.1669 -149479.9641 298.7397 -183687.1310 -149385.5031 298.7180 4.4281 37.4915 556929.8318 3.1746 2.9050 PRESSURE: 1636200 -83.5667 12.9214 -241.832 12.9217 285.294 -41.1793 -241.834 -41.1818 27.4674 GPRESSURE: 1636200 -47.8197 53.8779 -155.169 -91.3843 271.827 -50.637 -151.026 -43.5358 101.579 PRESSAVG: 1636200 7.46787 -37.55 -3.19123 -37.55 21.806 -37.8229 -3.1913 -37.823 -23.3788 GPRESSAVG: 1636200 5.73508 -36.1115 -3.04975 -38.8644 20.9967 -38.1088 -3.00961 -36.886 -21.4792 TIMING: 1636200 CPU: 4751.65, 0.00287335/step Wall: 4751.65, 0.00287335/step, 2.68483 hours remaining, 205.718750 MB of memory in use. ENERGY: 1636200 742.0437 2009.6592 1980.6717 104.5717 -206776.3696 18020.9430 0.0000 0.0000 34420.5268 -149497.9536 300.6030 -183918.4804 -149403.4452 298.7723 76.3983 108.5288 558371.2343 1.9650 1.7509 LDB: ============= START OF LOAD BALANCING ============== 4755.12 LDB: ============== END OF LOAD BALANCING =============== 4755.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4755.12 LDB: ============= START OF LOAD BALANCING ============== 4755.41 LDB: Largest compute 4821 load 0.030438 is 25.9% of average load 0.117707 LDB: Average compute 0.001712 is 1.5% of average load 0.117707 LDB: TIME 4755.41 LOAD: AVG 0.117707 MAX 0.178504 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.68 MB LDB: TIME 4755.41 LOAD: AVG 0.117707 MAX 0.178504 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.887 MB LDB: TIME 4755.41 LOAD: AVG 0.117707 MAX 0.178504 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.887 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4755.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4755.42 PRESSURE: 1636400 -53.078 24.0716 -2.01642 24.0714 -156.939 117.702 -2.0172 117.702 203.957 GPRESSURE: 1636400 4.94176 49.185 47.999 35.4657 -148.218 95.6498 -68.352 80.5665 223.776 PRESSAVG: 1636400 -24.069 -53.0974 -26.9722 -53.0975 35.4981 -0.645491 -26.9722 -0.645463 -10.7251 GPRESSAVG: 1636400 -24.2911 -55.5686 -30.5751 -51.8373 36.9444 -1.53238 -23.837 -0.453049 -11.4106 TIMING: 1636400 CPU: 4752.24, 0.00295968/step Wall: 4752.24, 0.00295968/step, 2.76533 hours remaining, 203.812500 MB of memory in use. ENERGY: 1636400 708.8128 2047.2116 1987.3141 123.5975 -206449.0134 17901.9305 0.0000 0.0000 34132.4166 -149547.7302 298.0869 -183680.1469 -149448.7598 298.0664 -2.0202 26.8331 557908.6851 0.2347 0.4142 PRESSURE: 1636600 211.904 18.0971 5.36986 18.0971 189.489 -67.5459 5.3688 -67.5455 168.179 GPRESSURE: 1636600 270.061 41.388 -65.8642 -60.2527 197.355 -76.2798 52.1588 -33.7599 200.907 PRESSAVG: 1636600 -55.6647 -44.1359 -12.2285 -44.1359 5.07724 -9.77469 -12.2286 -9.7747 60.5718 GPRESSAVG: 1636600 -55.5585 -44.7155 -9.5166 -43.9396 5.41946 -8.08342 -14.2275 -10.0084 60.3313 TIMING: 1636600 CPU: 4752.83, 0.00291282/step Wall: 4752.83, 0.00291283/step, 2.72139 hours remaining, 204.054688 MB of memory in use. ENERGY: 1636600 666.8130 2065.0682 1963.9443 114.3777 -206369.8943 17986.2620 0.0000 0.0000 34168.0517 -149405.3775 298.3981 -183573.4292 -149310.3620 297.9414 189.8573 222.7746 556771.0590 3.3281 3.3974 PRESSURE: 1636800 56.8718 -37.2514 2.69854 -37.2503 -30.5665 -72.2253 2.69746 -72.2252 -450.475 GPRESSURE: 1636800 81.1489 -31.201 -32.6084 -54.2182 -34.1423 -137.998 -18.2493 -60.5197 -357.667 PRESSAVG: 1636800 21.6031 37.2528 -14.6862 37.2527 7.06068 15.1999 -14.6863 15.1998 -6.88919 GPRESSAVG: 1636800 21.7491 38.2335 -14.7052 37.0694 6.41268 14.826 -15.1944 17.0884 -6.57103 TIMING: 1636800 CPU: 4753.41, 0.00293281/step Wall: 4753.41, 0.00293281/step, 2.73989 hours remaining, 204.054688 MB of memory in use. ENERGY: 1636800 776.9400 2087.6463 1951.2543 125.9198 -206114.7977 17652.1761 0.0000 0.0000 34273.3781 -149247.4831 299.3179 -183520.8612 -149157.8932 298.4001 -141.3900 -103.5534 557256.5550 7.2582 7.1969 PRESSURE: 1637000 -140.712 -71.1133 134.039 -71.1143 300.876 157.709 134.04 157.71 42.9694 GPRESSURE: 1637000 -96.3659 -163.71 117.976 -76.6552 315.428 105.521 100.757 186.096 77.0727 PRESSAVG: 1637000 22.1091 -31.5375 10.3839 -31.5375 4.14614 -8.92942 10.384 -8.92935 -18.9329 GPRESSAVG: 1637000 22.2104 -30.3664 11.9818 -29.9823 4.06396 -11.0328 10.8345 -9.34147 -18.4496 TIMING: 1637000 CPU: 4753.99, 0.00289018/step Wall: 4753.99, 0.00289018/step, 2.69991 hours remaining, 204.054688 MB of memory in use. ENERGY: 1637000 686.1676 2084.1042 1954.3182 108.0610 -206105.7191 17833.2985 0.0000 0.0000 33919.4043 -149520.3653 296.2266 -183439.7696 -149426.0175 298.2637 67.7111 98.7117 556884.0657 2.4408 2.6083 PRESSURE: 1637200 -175.37 -149.423 -2.18725 -149.422 149.388 54.0605 -2.18739 54.0598 -202.239 GPRESSURE: 1637200 -96.8201 -137.929 1.4576 -149.307 118.609 10.7516 -18.3657 100.435 -156.801 PRESSAVG: 1637200 -14.6676 -68.6788 -18.0819 -68.6788 70.0706 22.194 -18.0819 22.194 -55.8783 GPRESSAVG: 1637200 -14.6886 -70.2072 -19.6377 -69.6869 70.1247 24.892 -19.3842 20.9791 -56.0611 TIMING: 1637200 CPU: 4754.57, 0.0028779/step Wall: 4754.57, 0.0028779/step, 2.68828 hours remaining, 204.054688 MB of memory in use. ENERGY: 1637200 697.1509 2129.9557 2003.7221 107.1706 -206287.7335 17650.8963 0.0000 0.0000 34240.7630 -149458.0749 299.0331 -183698.8379 -149365.3313 297.7865 -76.0739 -45.0041 556790.1902 -0.1584 -0.2083 PRESSURE: 1637400 21.1614 -102.057 143.099 -102.058 -51.8697 -28.8638 143.099 -28.8628 397.61 GPRESSURE: 1637400 71.3612 -98.7245 215.253 -111.508 9.89213 -58.6552 131.295 -121.177 371.872 PRESSAVG: 1637400 -39.6106 -40.027 -35.7331 -40.0271 23.8229 16.436 -35.7331 16.4359 -55.8787 GPRESSAVG: 1637400 -40.3051 -38.6101 -33.6993 -38.5407 23.3707 16.0794 -35.3577 17.2185 -54.8779 TIMING: 1637400 CPU: 4755.14, 0.00287934/step Wall: 4755.14, 0.00287934/step, 2.68946 hours remaining, 204.195312 MB of memory in use. ENERGY: 1637400 713.8757 2145.7989 1953.7887 119.5389 -206403.5274 17995.7211 0.0000 0.0000 34119.8603 -149354.9438 297.9772 -183474.8041 -149260.4602 298.8455 122.3006 151.0417 557217.9726 -23.8888 -23.9375 PRESSURE: 1637600 63.2998 -27.227 -125.781 -27.2276 -147.236 -48.59 -125.781 -48.5902 -7.37741 GPRESSURE: 1637600 76.4435 -30.3935 -151.482 -1.41992 -105.733 5.12929 -133.979 -84.0372 38.0692 PRESSAVG: 1637600 32.8051 33.3999 -10.1797 33.4 -41.0841 -64.9989 -10.1796 -64.999 73.7835 GPRESSAVG: 1637600 33.477 32.3071 -10.7922 33.1643 -40.5425 -66.4049 -10.2608 -63.2719 71.4412 TIMING: 1637600 CPU: 4755.72, 0.00290652/step Wall: 4755.72, 0.00290652/step, 2.71469 hours remaining, 204.195312 MB of memory in use. ENERGY: 1637600 774.4692 2135.9325 1983.2534 108.5569 -206256.0748 17788.7070 0.0000 0.0000 34148.8313 -149316.3246 298.2302 -183465.1559 -149223.8766 298.8767 -30.4378 2.9267 558077.0276 21.8348 21.4586 PRESSURE: 1637800 -49.7959 51.9691 -74.9747 51.9673 -146.468 62.6562 -74.9749 62.6581 311.895 GPRESSURE: 1637800 -82.7354 112.062 -56.7683 61.4062 -58.4664 120.03 -46.4969 -0.306913 349.375 PRESSAVG: 1637800 13.5706 16.4341 22.8291 16.4341 -6.57446 43.4876 22.829 43.4876 -12.9314 GPRESSAVG: 1637800 13.1399 15.4047 23.0937 18.4921 -6.85498 45.7053 23.6422 42.6667 -11.7806 TIMING: 1637800 CPU: 4756.31, 0.00290535/step Wall: 4756.31, 0.00290535/step, 2.71343 hours remaining, 204.195312 MB of memory in use. ENERGY: 1637800 770.9347 2130.2208 1945.1065 110.3963 -206344.1524 17755.6169 0.0000 0.0000 34194.0463 -149437.8308 298.6251 -183631.8771 -149334.1025 298.5467 38.5435 69.3911 557306.8206 -1.9784 -1.8319 PRESSURE: 1638000 299.425 138.674 53.3975 138.673 538.335 -246.041 53.3983 -246.043 16.503 GPRESSURE: 1638000 359.983 158.787 76.6283 172.271 488.764 -246.768 22.0893 -226.8 92.2195 PRESSAVG: 1638000 23.4365 -14.0329 40.995 -14.0329 -1.90367 -8.09631 40.995 -8.09629 -49.367 GPRESSAVG: 1638000 22.2083 -13.407 40.5495 -16.3276 -0.702064 -9.45981 39.9963 -7.72754 -49.6708 TIMING: 1638000 CPU: 4756.88, 0.00288739/step Wall: 4756.88, 0.00288739/step, 2.6965 hours remaining, 204.195312 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: 1638000 717.7562 2132.4147 1959.3970 104.5393 -206751.0304 18307.8489 0.0000 0.0000 34275.0000 -149254.0743 299.3321 -183529.0743 -149154.6579 298.5609 284.7543 313.6557 556325.0475 -9.2781 -9.3882 PRESSURE: 1638200 -221.981 -131.479 132.374 -131.479 -47.7425 -86.5746 132.375 -86.5736 -28.7114 GPRESSURE: 1638200 -207.238 -91.6554 170.472 -185.579 -12.5397 -74.6473 82.871 -66.2626 26.7494 PRESSAVG: 1638200 13.4866 -11.4168 31.3339 -11.4168 21.0146 -21.1973 31.3339 -21.1972 -33.9831 GPRESSAVG: 1638200 14.2735 -11.167 31.6869 -12.382 19.979 -20.09 31.0623 -21.7673 -33.5087 TIMING: 1638200 CPU: 4757.46, 0.0028824/step Wall: 4757.46, 0.0028824/step, 2.69168 hours remaining, 204.195312 MB of memory in use. ENERGY: 1638200 777.5232 2101.3311 1957.4342 119.2809 -205984.8354 17753.1027 0.0000 0.0000 34124.9750 -149151.1884 298.0219 -183276.1634 -149061.7709 298.8842 -99.4783 -64.3429 558553.0603 0.1727 0.2479 PRESSURE: 1638400 -17.4909 -30.7671 -6.61209 -30.7668 -17.8612 -91.9528 -6.61081 -91.9546 75.9892 GPRESSURE: 1638400 13.0139 -23.5145 -36.9958 40.0775 -22.1823 -57.4808 88.6065 -185.883 141.824 PRESSAVG: 1638400 25.0905 0.336164 49.3365 0.336089 6.66214 -53.4937 49.3365 -53.4937 14.1463 GPRESSAVG: 1638400 26.168 0.346559 48.1579 1.53305 5.57664 -54.671 49.1393 -54.9203 13.9771 TIMING: 1638400 CPU: 4758.03, 0.0028737/step Wall: 4758.03, 0.0028737/step, 2.68339 hours remaining, 204.195312 MB of memory in use. ENERGY: 1638400 745.3239 2091.3384 1959.8657 115.0394 -206357.0016 17894.0263 0.0000 0.0000 34127.3470 -149424.0610 298.0426 -183551.4080 -149321.6123 298.7383 13.5457 44.2186 557752.5927 15.2997 15.2406 PRESSURE: 1638600 -93.061 2.16553 -264.024 2.16412 161.93 -35.4174 -264.025 -35.4191 153.93 GPRESSURE: 1638600 -59.8911 35.1117 -268.825 18.6543 206.571 43.9785 -225.546 -32.8479 164.815 PRESSAVG: 1638600 -49.117 -13.2592 14.098 -13.2592 4.51532 16.6541 14.098 16.6542 66.4573 GPRESSAVG: 1638600 -50.1821 -13.87 14.5294 -13.2924 5.90267 17.4355 14.7895 16.0108 66.546 TIMING: 1638600 CPU: 4758.61, 0.00286388/step Wall: 4758.61, 0.00286388/step, 2.67407 hours remaining, 204.195312 MB of memory in use. ENERGY: 1638600 745.5338 2050.8078 1972.6576 111.3511 -206391.8262 17846.0052 0.0000 0.0000 34321.0628 -149344.4078 299.7344 -183665.4706 -149243.5696 298.5206 74.2663 103.8315 555746.5397 7.2852 7.4222 PRESSURE: 1638800 153.271 -39.587 75.8939 -39.5884 166.475 -46.7525 75.8927 -46.7547 156.384 GPRESSURE: 1638800 175.513 -66.5354 49.8974 5.09563 203.185 -76.3572 94.7426 -34.8222 193.79 PRESSAVG: 1638800 -20.1792 33.5078 41.0884 33.5078 -15.657 -53.178 41.0883 -53.1781 -3.46031 GPRESSAVG: 1638800 -19.9931 34.166 39.8344 33.9214 -15.6221 -52.7345 40.9231 -50.8926 -4.26585 TIMING: 1638800 CPU: 4759.19, 0.00289641/step Wall: 4759.19, 0.00289641/step, 2.70428 hours remaining, 204.195312 MB of memory in use. ENERGY: 1638800 710.4249 2071.6209 1954.6227 114.9995 -206578.7490 18028.2335 0.0000 0.0000 34416.9930 -149281.8545 300.5722 -183698.8475 -149186.7564 298.8166 158.7097 190.8293 556905.3550 -13.0988 -13.2937 PRESSURE: 1639000 108.68 25.2136 129.547 25.2118 241.841 51.9507 129.547 51.9497 -140.799 GPRESSURE: 1639000 123.31 59.4343 113.827 8.78715 307.916 44.0735 107.644 30.4631 -119.642 PRESSAVG: 1639000 11.3467 -15.5169 16.8533 -15.517 -31.7239 -24.2139 16.8533 -24.214 6.27514 GPRESSAVG: 1639000 10.786 -15.46 18.9384 -16.8105 -31.5666 -23.981 15.3381 -26.5288 6.70967 TIMING: 1639000 CPU: 4759.76, 0.00288971/step Wall: 4759.76, 0.00288971/step, 2.69786 hours remaining, 204.195312 MB of memory in use. ENERGY: 1639000 737.5733 2069.4604 1954.3154 109.7289 -206521.8059 18062.2697 0.0000 0.0000 34360.1886 -149228.2697 300.0761 -183588.4583 -149132.0235 298.8713 69.9075 103.8613 558023.7766 -4.7007 -4.6903 PRESSURE: 1639200 -164.299 98.2242 35.1257 98.2229 -43.3486 -70.544 35.1259 -70.5435 229.017 GPRESSURE: 1639200 -67.1045 87.4586 84.8309 133.797 23.9588 -63.6282 80.7504 -90.5474 171.436 PRESSAVG: 1639200 -30.2428 9.18653 -4.23108 9.18649 8.11289 -35.9409 -4.23104 -35.9409 -5.46849 GPRESSAVG: 1639200 -27.9928 10.4836 -4.09324 11.7412 7.4399 -40.1568 -3.12274 -33.1915 -6.75276 TIMING: 1639200 CPU: 4760.34, 0.00289283/step Wall: 4760.34, 0.00289283/step, 2.70062 hours remaining, 204.195312 MB of memory in use. ENERGY: 1639200 731.9185 2039.9637 1981.6444 119.7926 -205901.1141 17744.0455 0.0000 0.0000 34212.9668 -149070.7827 298.7903 -183283.7494 -148979.4172 298.8549 7.1233 42.7635 558646.3221 -9.1995 -9.1019 PRESSURE: 1639400 -230.661 -84.0713 -61.872 -84.0714 163.923 -45.7857 -61.8705 -45.7861 138.485 GPRESSURE: 1639400 -142.609 -118.07 -52.7058 -11.3187 177.637 -79.904 -38.4085 -17.4531 137.24 PRESSAVG: 1639400 13.062 38.2979 -16.369 38.298 17.4236 -39.3943 -16.369 -39.3943 -15.804 GPRESSAVG: 1639400 11.9901 37.4951 -15.888 35.4868 17.4523 -35.5834 -17.4493 -40.2655 -15.2088 TIMING: 1639400 CPU: 4760.92, 0.00287243/step Wall: 4760.92, 0.00287243/step, 2.68141 hours remaining, 204.195312 MB of memory in use. ENERGY: 1639400 777.2722 2119.9361 1951.0811 114.5788 -206453.4864 18011.8778 0.0000 0.0000 34371.8044 -149106.9361 300.1775 -183478.7405 -149017.4644 299.4710 23.9157 57.4227 557975.1726 4.8939 4.7445 PRESSURE: 1639600 -24.4627 210.631 -0.544537 210.629 -316.431 -102.626 -0.542917 -102.626 -105.794 GPRESSURE: 1639600 -24.4736 245.589 52.5835 114.965 -258.847 -32.8885 -14.5536 -137.71 -75.7087 PRESSAVG: 1639600 -11.0637 -26.9212 -32.7996 -26.9212 -7.70469 -9.91792 -32.7996 -9.91793 -10.4594 GPRESSAVG: 1639600 -10.6901 -25.4586 -34.2871 -26.85 -7.32953 -10.0552 -30.9366 -10.1424 -10.9384 TIMING: 1639600 CPU: 4761.49, 0.00286353/step Wall: 4761.49, 0.00286353/step, 2.67295 hours remaining, 204.195312 MB of memory in use. ENERGY: 1639600 736.3534 2140.1132 1973.8465 111.1982 -206186.9943 17627.1352 0.0000 0.0000 34403.0256 -149195.3223 300.4502 -183598.3479 -149103.6569 299.1328 -148.8958 -119.6765 558002.5011 -9.7426 -9.6527 PRESSURE: 1639800 -168 -6.51913 -35.0475 -6.51866 83.0815 -20.3141 -35.047 -20.3133 1.41874 GPRESSURE: 1639800 -124.289 -54.4645 -6.01019 -9.69287 136.718 11.3457 -19.9804 -22.4488 -6.9924 PRESSAVG: 1639800 21.3072 4.75168 -10.4885 4.75168 -20.9818 -37.0383 -10.4885 -37.0384 5.59257 GPRESSAVG: 1639800 21.0505 4.36048 -11.9531 3.39444 -20.0853 -37.804 -11.6524 -36.5349 4.86178 TIMING: 1639800 CPU: 4762.07, 0.00288763/step Wall: 4762.07, 0.00288763/step, 2.69528 hours remaining, 204.195312 MB of memory in use. ENERGY: 1639800 719.6824 2109.6585 1965.0244 117.3610 -206252.9240 17808.4559 0.0000 0.0000 34298.2255 -149234.5163 299.5349 -183532.7418 -149141.7567 299.0270 -27.8331 1.8124 558704.3811 1.9727 1.9423 PRESSURE: 1640000 -56.5807 -1.14623 -108.154 -1.14741 -120.695 -110.335 -108.153 -110.334 -13.6285 GPRESSURE: 1640000 -20.2875 93.4298 -72.1197 -6.41482 -74.0193 -191.106 -160.194 -68.6286 -2.03559 PRESSAVG: 1640000 -14.0591 -14.0732 -5.22878 -14.0731 -16.0148 -11.514 -5.22876 -11.514 34.533 GPRESSAVG: 1640000 -13.7895 -13.4295 -6.25766 -12.1962 -17.2393 -11.7942 -2.90443 -12.8315 35.098 TIMING: 1640000 CPU: 4762.64, 0.0028532/step Wall: 4762.64, 0.0028532/step, 2.66299 hours remaining, 204.195312 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: 1640000 714.8060 2065.4779 1970.0535 116.6937 -206181.5756 17669.5715 0.0000 0.0000 34321.1527 -149323.8203 299.7352 -183644.9730 -149230.8418 298.1537 -63.6347 -32.1141 557720.9775 1.4864 1.3564 PRESSURE: 1640200 -187.566 61.5231 -9.04233 61.5227 -161.295 47.271 -9.04206 47.2701 68.6675 GPRESSURE: 1640200 -123.097 11.2177 -87.9064 -1.62153 -151.416 117.083 28.0082 55.2275 87.9743 PRESSAVG: 1640200 -7.82139 24.6202 8.83315 24.6201 -8.90047 -2.53562 8.83317 -2.53572 40.8637 GPRESSAVG: 1640200 -8.4846 22.5625 8.90959 26.3352 -9.02014 -0.410162 9.57183 -3.41873 42.0627 TIMING: 1640200 CPU: 4763.22, 0.00288461/step Wall: 4763.22, 0.00288461/step, 2.69214 hours remaining, 204.195312 MB of memory in use. ENERGY: 1640200 761.1075 2053.6248 1931.5343 124.7494 -206049.8065 17687.2766 0.0000 0.0000 34163.5237 -149327.9902 298.3585 -183491.5139 -149229.6919 298.9305 -93.3979 -62.1796 557728.5207 8.0473 8.1860 LDB: ============= START OF LOAD BALANCING ============== 4766.68 LDB: ============== END OF LOAD BALANCING =============== 4766.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4766.68 LDB: ============= START OF LOAD BALANCING ============== 4766.97 LDB: Largest compute 4821 load 0.028944 is 24.6% of average load 0.117710 LDB: Average compute 0.001711 is 1.5% of average load 0.117710 LDB: TIME 4766.97 LOAD: AVG 0.11771 MAX 0.179383 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.555 MB LDB: TIME 4766.97 LOAD: AVG 0.11771 MAX 0.179383 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.668 MB LDB: TIME 4766.97 LOAD: AVG 0.11771 MAX 0.179383 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4766.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4766.98 PRESSURE: 1640400 260.746 -13.776 166.685 -13.7757 97.7589 35.0356 166.685 35.0364 217.922 GPRESSURE: 1640400 279.808 -56.134 190.991 32.5751 124.421 37.5481 172.766 47.0728 260.181 PRESSAVG: 1640400 -20.598 17.1968 3.26175 17.1967 2.15156 23.8007 3.26183 23.8006 43.8906 GPRESSAVG: 1640400 -19.323 17.5093 2.67971 15.6435 2.33559 22.3683 1.77921 23.6891 42.5739 TIMING: 1640400 CPU: 4763.81, 0.00295045/step Wall: 4763.81, 0.00295045/step, 2.75343 hours remaining, 204.593750 MB of memory in use. ENERGY: 1640400 781.0121 2078.1103 1945.5274 112.7168 -206414.4286 18143.2858 0.0000 0.0000 34383.0477 -148970.7285 300.2757 -183353.7762 -148867.3779 299.1101 192.1423 221.4701 555708.7490 8.4814 8.5288 PRESSURE: 1640600 -52.6737 58.3895 14.2433 58.3897 -261.649 -27.7959 14.2427 -27.7974 15.2747 GPRESSURE: 1640600 -2.14035 99.5802 -5.25063 31.527 -269.691 -64.8655 13.9716 -16.1339 73.8758 PRESSAVG: 1640600 -25.3694 59.881 41.4195 59.8811 -18.1537 20.9779 41.4196 20.9779 51.8318 GPRESSAVG: 1640600 -24.69 59.1646 42.5643 60.6812 -18.2923 23.0778 38.8659 19.3321 51.3947 TIMING: 1640600 CPU: 4764.38, 0.00287872/step Wall: 4764.38, 0.00287872/step, 2.68633 hours remaining, 204.617188 MB of memory in use. ENERGY: 1640600 771.9950 2083.0038 1916.1853 113.8372 -206032.3494 17702.4080 0.0000 0.0000 34503.9594 -148940.9607 301.3317 -183444.9200 -148844.9074 300.1804 -99.6827 -65.9853 558065.4301 2.7696 2.8041 PRESSURE: 1640800 134.755 23.8386 46.1073 23.8398 -115.017 -17.373 46.1081 -17.373 95.3388 GPRESSURE: 1640800 117.282 89.3603 66.0515 41.1505 -51.581 -42.5065 112.513 32.3863 152.736 PRESSAVG: 1640800 -4.29503 42.4394 -5.68458 42.4395 -41.4539 -51.8746 -5.68463 -51.8746 39.8624 GPRESSAVG: 1640800 -5.61508 44.3274 -4.48276 41.4385 -40.7582 -52.112 -6.10922 -49.896 40.7576 TIMING: 1640800 CPU: 4764.96, 0.0028888/step Wall: 4764.96, 0.0028888/step, 2.69557 hours remaining, 204.617188 MB of memory in use. ENERGY: 1640800 739.3092 2124.3214 1944.3136 106.9562 -206063.6002 17768.6192 0.0000 0.0000 34364.4414 -149015.6392 300.1132 -183380.0805 -148921.2123 299.5817 38.3589 72.8125 557028.4379 -1.9622 -1.8719 PRESSURE: 1641000 -178.85 73.7494 -27.2842 73.7505 -32.306 214.727 -27.2846 214.727 -167.999 GPRESSURE: 1641000 -148.717 51.1618 32.1687 111.252 -37.9845 204.465 -37.062 211.094 -91.7519 PRESSAVG: 1641000 2.87352 -75.5042 -26.7852 -75.5042 -12.5803 -47.3986 -26.7852 -47.3986 -18.8416 GPRESSAVG: 1641000 2.89561 -75.6734 -26.9957 -75.5888 -12.9483 -50.9533 -24.5596 -45.8143 -18.436 TIMING: 1641000 CPU: 4765.53, 0.00288012/step Wall: 4765.53, 0.00288012/step, 2.68732 hours remaining, 204.675781 MB of memory in use. ENERGY: 1641000 749.7994 2060.4857 1942.5294 109.3439 -205627.2586 17368.8911 0.0000 0.0000 34374.8429 -149021.3661 300.2041 -183396.2090 -148925.9517 300.0349 -126.3850 -92.8178 556734.5318 -9.5161 -9.4962 PRESSURE: 1641200 281.561 75.6341 -26.3501 75.6352 202.412 -78.7725 -26.351 -78.7693 412.79 GPRESSURE: 1641200 309.533 79.4599 -48.3895 60.7793 232.131 -96.1 60.2962 -22.7265 434.544 PRESSAVG: 1641200 -48.2833 -18.8542 11.2917 -18.854 -10.4472 78.6208 11.2917 78.6209 46.9271 GPRESSAVG: 1641200 -47.1662 -20.319 10.376 -17.8816 -11.3866 80.2068 10.8733 78.8669 46.9702 TIMING: 1641200 CPU: 4766.11, 0.00286909/step Wall: 4766.11, 0.00286909/step, 2.67686 hours remaining, 204.675781 MB of memory in use. ENERGY: 1641200 752.7593 2074.4274 1937.2009 106.4660 -206641.6780 18277.3074 0.0000 0.0000 34342.9870 -149150.5299 299.9258 -183493.5169 -149057.5722 299.1349 298.9212 325.4024 554711.0622 -3.9345 -3.8609 PRESSURE: 1641400 -380.757 -116.966 272.442 -116.964 -104.44 67.4987 272.444 67.4999 -114.498 GPRESSURE: 1641400 -331.512 -87.1268 289.836 -96.4484 -96.7956 177.222 297.798 47.0819 -68.9199 PRESSAVG: 1641400 -70.7112 -21.6342 -0.665349 -21.6342 -35.2051 38.1525 -0.665459 38.1525 99.1556 GPRESSAVG: 1641400 -71.7829 -20.9618 2.00698 -21.2135 -33.526 39.3525 -2.31381 35.8553 98.8981 TIMING: 1641400 CPU: 4766.68, 0.0028699/step Wall: 4766.68, 0.0028699/step, 2.67746 hours remaining, 204.675781 MB of memory in use. ENERGY: 1641400 782.4812 2033.4161 1956.1135 111.9758 -205894.7244 17400.3519 0.0000 0.0000 34362.5655 -149247.8205 300.0968 -183610.3860 -149154.6216 299.2573 -199.8984 -165.7424 556878.8784 -2.2536 -2.1370 PRESSURE: 1641600 -278.409 -143.951 -76.6193 -143.951 -288.135 -77.2325 -76.6191 -77.2324 -344.6 GPRESSURE: 1641600 -238.093 -136.719 -30.27 -66.277 -332.672 21.5224 -58.5068 -150.323 -263.067 PRESSAVG: 1641600 -10.5844 -38.1531 20.5658 -38.1531 71.7773 49.4508 20.5658 49.4509 18.1546 GPRESSAVG: 1641600 -9.85436 -38.0507 19.15 -41.2415 69.4142 49.2373 21.2823 51.3086 18.4302 TIMING: 1641600 CPU: 4767.26, 0.00286972/step Wall: 4767.26, 0.00286972/step, 2.67713 hours remaining, 204.675781 MB of memory in use. ENERGY: 1641600 754.5066 2066.6145 1982.4805 116.2836 -205868.0346 17358.1256 0.0000 0.0000 34303.2412 -149286.7825 299.5787 -183590.0237 -149195.4660 299.4937 -303.7146 -277.9438 556820.8941 26.4492 25.9967 PRESSURE: 1641800 97.5242 -60.6127 -5.96857 -60.6118 -237.616 -42.6022 -5.96633 -42.6009 218.519 GPRESSURE: 1641800 109.493 -57.1402 79.7624 -17.8183 -170.714 -124.348 -42.947 13.9329 229.553 PRESSAVG: 1641800 7.69178 -16.4609 8.34175 -16.4608 -22.6603 31.9961 8.34176 31.9961 42.4311 GPRESSAVG: 1641800 6.38357 -16.8114 8.17991 -13.8935 -21.4072 32.4588 9.38357 30.4462 41.9705 TIMING: 1641800 CPU: 4767.83, 0.00289147/step Wall: 4767.83, 0.00289147/step, 2.69726 hours remaining, 204.675781 MB of memory in use. ENERGY: 1641800 742.6291 2077.3642 1956.9245 115.2427 -206004.4875 17686.2296 0.0000 0.0000 34310.5275 -149115.5700 299.6424 -183426.0975 -149023.9669 299.2432 26.1425 56.1107 556697.0931 9.1542 8.9823 PRESSURE: 1642000 92.9268 88.9384 -173.921 88.9397 -19.6064 -35.6028 -173.921 -35.6031 -86.504 GPRESSURE: 1642000 166.159 46.6952 -212.176 51.7268 -13.9885 22.0611 -149.844 -9.78151 -50.7843 PRESSAVG: 1642000 4.60447 2.83425 4.8338 2.8343 -16.986 14.0374 4.83379 14.0374 41.4878 GPRESSAVG: 1642000 4.80154 4.51139 5.65048 0.853829 -17.4681 12.1957 4.17359 14.1537 41.7513 TIMING: 1642000 CPU: 4768.42, 0.00290421/step Wall: 4768.42, 0.00290421/step, 2.70898 hours remaining, 204.675781 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: 1642000 758.2462 2031.8719 1957.3595 114.0193 -206154.0526 17793.3313 0.0000 0.0000 34398.6897 -149100.5347 300.4123 -183499.2243 -148997.6788 299.8403 -4.3945 33.7953 556678.7349 9.7021 9.6949 PRESSURE: 1642200 18.3799 28.3976 -19.7623 28.3971 -80.6017 -27.7008 -19.7629 -27.701 -191.237 GPRESSURE: 1642200 30.2484 47.9359 -0.923699 -17.4959 -46.8333 -71.8962 -72.1182 25.5601 -152.606 PRESSAVG: 1642200 -3.51397 50.2508 23.1001 50.251 -8.45207 -8.24718 23.1001 -8.24714 -21.6512 GPRESSAVG: 1642200 -2.98048 50.1399 23.5004 50.695 -8.46249 -6.37324 23.0969 -8.05604 -22.8127 TIMING: 1642200 CPU: 4768.99, 0.00289229/step Wall: 4768.99, 0.00289229/step, 2.69771 hours remaining, 204.675781 MB of memory in use. ENERGY: 1642200 754.9834 2044.3854 1974.4678 108.8736 -205906.8457 17710.6590 0.0000 0.0000 34367.3170 -148946.1594 300.1383 -183313.4764 -148850.2847 300.0977 -84.4864 -56.3971 558186.2618 -11.2058 -11.4185 PRESSURE: 1642400 0.144326 52.3079 -78.5892 52.3075 -203.961 -190.467 -78.5879 -190.468 -165.975 GPRESSURE: 1642400 31.1224 36.8465 -82.0045 -4.96358 -194.322 -221.824 -78.9702 -123.325 -105.324 PRESSAVG: 1642400 61.523 45.9526 -1.32423 45.9526 -12.5375 37.5737 -1.32411 37.5736 -12.2624 GPRESSAVG: 1642400 61.5565 46.748 -2.08003 45.6424 -13.1545 36.7997 -1.29124 37.5528 -11.9243 TIMING: 1642400 CPU: 4769.58, 0.00290612/step Wall: 4769.58, 0.00290612/step, 2.71044 hours remaining, 204.675781 MB of memory in use. ENERGY: 1642400 739.6112 2047.6933 1931.2304 100.1308 -205574.0846 17519.6940 0.0000 0.0000 34445.4607 -148790.2640 300.8208 -183235.7247 -148690.7377 299.6967 -123.2639 -89.5080 558349.9493 12.2411 12.1592 PRESSURE: 1642600 120.392 19.7685 -59.5832 19.7701 -102.387 -74.1443 -59.5834 -74.1456 82.1648 GPRESSURE: 1642600 113.449 71.1988 -46.8855 41.5017 -50.0141 -77.3852 -180.882 -93.6208 126.722 PRESSAVG: 1642600 56.3854 -4.98445 -35.1113 -4.98425 -43.3111 56.6117 -35.1113 56.6118 -24.7036 GPRESSAVG: 1642600 55.6312 -5.87046 -36.3692 -2.59428 -41.644 57.6832 -35.6795 56.5828 -25.7604 TIMING: 1642600 CPU: 4770.15, 0.00287777/step Wall: 4770.15, 0.00287777/step, 2.68384 hours remaining, 204.675781 MB of memory in use. ENERGY: 1642600 751.5233 2135.3139 1952.6571 107.6987 -206278.4279 17954.7929 0.0000 0.0000 34555.1209 -148821.3212 301.7785 -183376.4421 -148723.8734 300.0659 33.3898 63.3857 556855.9894 -3.8764 -3.9244 PRESSURE: 1642800 -72.4041 10.5642 229.217 10.5644 -135.689 -8.51829 229.217 -8.51828 162.768 GPRESSURE: 1642800 -64.8674 -11.9749 148.228 -1.89364 -66.8167 26.2143 245.347 -8.72686 180.969 PRESSAVG: 1642800 50.3663 22.7208 -18.9097 22.7209 13.5016 -75.8369 -18.9098 -75.8369 -94.6614 GPRESSAVG: 1642800 50.8397 21.6964 -17.9988 21.2456 12.7813 -75.979 -16.829 -75.3247 -93.8001 TIMING: 1642800 CPU: 4770.72, 0.00286458/step Wall: 4770.72, 0.00286458/step, 2.67138 hours remaining, 204.675781 MB of memory in use. ENERGY: 1642800 731.6659 2101.6255 1935.2659 139.3286 -206022.7818 17880.7672 0.0000 0.0000 34212.1713 -149021.9574 298.7834 -183234.1287 -148921.8483 300.2147 -15.1086 16.4283 558289.6808 -10.2645 -10.0597 PRESSURE: 1643000 445.059 107.469 71.1435 107.469 -123.665 345.02 71.1433 345.019 -19.4922 GPRESSURE: 1643000 409.464 90.3916 -60.0508 73.7146 -69.9848 391.722 84.9818 276.389 66.879 PRESSAVG: 1643000 45.2342 -7.90547 -0.460113 -7.90548 -62.7075 -4.16164 -0.460106 -4.16172 1.11997 GPRESSAVG: 1643000 45.9932 -7.42265 0.212 -7.28052 -62.5886 -4.57542 -3.2477 -2.7828 -0.136772 TIMING: 1643000 CPU: 4771.3, 0.0028971/step Wall: 4771.3, 0.0028971/step, 2.70154 hours remaining, 204.675781 MB of memory in use. ENERGY: 1643000 708.8444 2052.2015 1948.5087 109.7586 -205615.0475 17703.4849 0.0000 0.0000 34136.0157 -148956.2336 298.1183 -183092.2493 -148856.1540 299.0258 100.6338 135.4529 558256.2009 -5.4511 -5.5774 PRESSURE: 1643200 106.571 41.3292 65.4283 41.3299 275.628 -97.5818 65.4281 -97.5792 131.183 GPRESSURE: 1643200 137.838 38.0305 26.9721 49.3572 334.686 -49.2473 160.869 -159.268 132.521 PRESSAVG: 1643200 13.6512 -4.43452 4.40216 -4.43467 -54.5946 13.0565 4.40216 13.0565 24.925 GPRESSAVG: 1643200 13.2427 -3.33084 3.41437 -5.90636 -55.0243 12.7428 7.75552 12.8585 25.7359 TIMING: 1643200 CPU: 4771.88, 0.00289577/step Wall: 4771.88, 0.00289577/step, 2.70014 hours remaining, 204.675781 MB of memory in use. ENERGY: 1643200 728.3746 2058.7219 1940.1841 112.7549 -206427.7601 18064.3341 0.0000 0.0000 34562.1226 -148961.2679 301.8396 -183523.3905 -148863.4925 299.3369 171.1273 201.6816 557835.9994 -5.3395 -5.3486 PRESSURE: 1643400 136.741 -10.8005 115.065 -10.7999 176.685 -18.9451 115.065 -18.9457 52.0707 GPRESSURE: 1643400 176.063 -116.257 111.1 12.8925 199.966 27.0247 156.265 52.2285 91.1293 PRESSAVG: 1643400 4.87669 -32.9254 69.3353 -32.9254 -46.0083 20.4052 69.3353 20.4052 40.9374 GPRESSAVG: 1643400 4.98852 -34.2554 68.1409 -32.2959 -46.3965 22.8413 68.9935 18.7272 41.7627 TIMING: 1643400 CPU: 4772.46, 0.00289034/step Wall: 4772.46, 0.00289034/step, 2.69492 hours remaining, 204.675781 MB of memory in use. ENERGY: 1643400 739.3891 2096.6677 1939.5150 103.1683 -206306.5133 17926.8641 0.0000 0.0000 34505.2053 -148995.7037 301.3425 -183500.9090 -148899.3707 299.4434 121.8324 155.7196 556786.2039 -0.0647 0.1183 PRESSURE: 1643600 242.4 -146.175 -51.175 -146.175 -175.032 70.3606 -51.1746 70.3606 47.4763 GPRESSURE: 1643600 253.996 -72.2264 33.8148 -198.336 -132.841 65.9189 -77.0641 132.829 84.7239 PRESSAVG: 1643600 13.2927 -31.2507 74.9304 -31.2507 -24.6117 70.9306 74.9304 70.9306 -4.62374 GPRESSAVG: 1643600 14.5147 -30.5159 77.1212 -31.2757 -24.8028 68.9371 72.3884 70.6719 -5.72754 TIMING: 1643600 CPU: 4773.04, 0.0028852/step Wall: 4773.04, 0.0028852/step, 2.68997 hours remaining, 204.675781 MB of memory in use. ENERGY: 1643600 719.4935 2050.5749 1945.9011 106.3223 -206276.1111 17923.4060 0.0000 0.0000 34358.5422 -149171.8711 300.0617 -183530.4134 -149074.6303 299.3190 38.2813 68.6263 558149.1615 -5.3143 -5.3386 PRESSURE: 1643800 52.6047 14.5901 -109.098 14.5907 -296.076 -39.0809 -109.096 -39.0813 -298.549 GPRESSURE: 1643800 42.1723 -29.2453 -47.8262 122.652 -226.692 -104.928 -136.237 -17.7277 -253.765 PRESSAVG: 1643800 46.1153 55.9043 -49.6786 55.9044 -56.7799 43.5715 -49.6787 43.5715 23.706 GPRESSAVG: 1643800 45.3003 56.5689 -50.7322 57.4884 -56.7083 45.7046 -50.0391 44.4694 24.4757 TIMING: 1643800 CPU: 4773.61, 0.00288315/step Wall: 4773.61, 0.00288315/step, 2.68789 hours remaining, 204.675781 MB of memory in use. ENERGY: 1643800 775.1631 2015.1332 1954.2233 117.8802 -205704.2179 17564.4801 0.0000 0.0000 34168.6027 -149108.7353 298.4029 -183277.3380 -149014.7948 298.7626 -180.6733 -146.0949 558301.6817 4.3472 4.3559 PRESSURE: 1644000 -187.302 85.4119 -10.0929 85.4117 -130.667 -31.9342 -10.0936 -31.934 -120.034 GPRESSURE: 1644000 -224.394 131.094 -92.1318 139.474 -60.8708 29.543 48.9541 -57.0029 -62.2943 PRESSAVG: 1644000 6.37688 39.2561 79.0246 39.256 6.38373 -32.0489 79.0246 -32.0489 13.7949 GPRESSAVG: 1644000 6.86943 39.2559 78.766 39.7738 6.23864 -33.742 78.5162 -33.5733 13.6578 TIMING: 1644000 CPU: 4774.19, 0.00289238/step Wall: 4774.19, 0.00289238/step, 2.69634 hours remaining, 204.675781 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: 1644000 776.4499 2055.1522 1924.8148 113.6337 -206358.7131 17852.9717 0.0000 0.0000 34293.3473 -149342.3435 299.4923 -183635.6907 -149235.4312 299.1508 -146.0011 -115.8529 558130.4918 8.8518 8.9219 PRESSURE: 1644200 -101.741 -11.9178 -12.9002 -11.9191 -369.874 -15.3916 -12.9006 -15.3915 -136.504 GPRESSURE: 1644200 -51.9728 24.327 -25.9996 -37.9821 -311.151 -8.6563 -38.7915 3.05741 -141.706 PRESSAVG: 1644200 20.5828 -28.9482 9.87565 -28.9482 -23.5278 -38.4495 9.87573 -38.4495 54.5877 GPRESSAVG: 1644200 19.8219 -30.1906 8.77612 -31.0462 -22.5963 -37.7505 9.29217 -37.4302 53.9892 TIMING: 1644200 CPU: 4774.77, 0.00291146/step Wall: 4774.77, 0.00291146/step, 2.71397 hours remaining, 204.675781 MB of memory in use. ENERGY: 1644200 758.9844 2130.7927 1940.7150 109.5038 -206200.2655 17715.0527 0.0000 0.0000 34123.5160 -149421.7009 298.0092 -183545.2169 -149327.1595 298.9981 -202.7064 -168.2765 558385.2992 17.2142 17.0716 LDB: ============= START OF LOAD BALANCING ============== 4778.24 LDB: ============== END OF LOAD BALANCING =============== 4778.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4778.24 LDB: ============= START OF LOAD BALANCING ============== 4778.53 LDB: Largest compute 4821 load 0.030282 is 25.7% of average load 0.117799 LDB: Average compute 0.001713 is 1.5% of average load 0.117799 LDB: TIME 4778.54 LOAD: AVG 0.117799 MAX 0.178065 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.105 MB LDB: TIME 4778.54 LOAD: AVG 0.117799 MAX 0.178065 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: TIME 4778.54 LOAD: AVG 0.117799 MAX 0.178065 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: ============== END OF LOAD BALANCING =============== 4778.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4778.54 PRESSURE: 1644400 136.314 81.1727 146.315 81.1714 261.368 -109.022 146.315 -109.021 -50.7281 GPRESSURE: 1644400 176.611 104.924 143.36 129.311 287.902 -59.527 128.243 -172.346 -14.6884 PRESSAVG: 1644400 25.194 -6.22214 5.67035 -6.22214 -1.62441 -73.741 5.67037 -73.7409 -61.2723 GPRESSAVG: 1644400 26.7792 -4.41135 4.86419 -4.7301 -3.78235 -75.6286 7.11618 -72.8418 -60.7744 TIMING: 1644400 CPU: 4775.37, 0.00296968/step Wall: 4775.37, 0.00296968/step, 2.76807 hours remaining, 204.148438 MB of memory in use. ENERGY: 1644400 714.2063 2019.7154 1957.8051 112.4366 -206575.7853 18007.4792 0.0000 0.0000 34204.4516 -149559.6912 298.7160 -183764.1428 -149466.8906 298.3873 115.6515 149.9415 557934.8641 -12.5675 -12.5925 PRESSURE: 1644600 163.625 15.904 -59.641 15.9028 118.692 138.384 -59.6395 138.384 -27.6031 GPRESSURE: 1644600 152.285 60.5553 -33.333 -13.0931 133.093 131.292 -90.5137 138.81 65.8234 PRESSAVG: 1644600 0.0373496 -37.9754 4.54235 -37.9754 11.5066 29.83 4.54244 29.83 15.5893 GPRESSAVG: 1644600 -2.00864 -39.1338 5.58021 -39.3474 12.4261 28.9738 5.88648 29.0902 16.4857 TIMING: 1644600 CPU: 4775.95, 0.00289464/step Wall: 4775.95, 0.00289464/step, 2.69797 hours remaining, 204.609375 MB of memory in use. ENERGY: 1644600 766.3474 2036.9397 1936.2327 106.3621 -206512.6634 18069.6452 0.0000 0.0000 34186.4712 -149410.6651 298.5590 -183597.1363 -149318.7931 298.3047 84.9045 117.0671 558371.1815 9.0444 8.9677 PRESSURE: 1644800 -134.057 -9.57415 -43.1847 -9.57292 -89.2686 -125.69 -43.1839 -125.689 -193.643 GPRESSURE: 1644800 -90.65 -87.001 -10.4352 41.7563 -73.9911 -161.731 -24.9356 -209.224 -140.311 PRESSAVG: 1644800 6.98828 5.21731 -36.2941 5.21736 29.5001 -17.8637 -36.2941 -17.8637 -80.4773 GPRESSAVG: 1644800 7.21873 4.81984 -35.6429 4.72224 29.2878 -15.2984 -38.9048 -17.2072 -80.6332 TIMING: 1644800 CPU: 4776.53, 0.00291385/step Wall: 4776.53, 0.00291385/step, 2.71571 hours remaining, 204.851562 MB of memory in use. ENERGY: 1644800 732.3717 2010.1687 1934.9296 123.4918 -206129.5229 17860.3927 0.0000 0.0000 34107.5442 -149360.6243 297.8697 -183468.1685 -149270.1244 298.2279 -138.9895 -101.6507 558943.3507 -14.6630 -14.7089 PRESSURE: 1645000 167.39 50.6255 16.6274 50.6253 -1.89756 232.271 16.6274 232.272 -59.3944 GPRESSURE: 1645000 211.789 32.3133 73.1427 30.688 4.70927 193.509 -32.7612 259.189 -9.37161 PRESSAVG: 1645000 -10.1281 -31.1339 -106.706 -31.1339 43.0239 9.61251 -106.706 9.6126 -62.3232 GPRESSAVG: 1645000 -10.4444 -32.4834 -106.791 -29.2526 43.4453 8.34225 -105.608 9.3957 -62.5892 TIMING: 1645000 CPU: 4777.11, 0.00289703/step Wall: 4777.11, 0.00289703/step, 2.69987 hours remaining, 204.851562 MB of memory in use. ENERGY: 1645000 734.8654 2018.7331 1956.4711 112.7070 -206569.2461 17928.0614 0.0000 0.0000 34299.0093 -149519.3987 299.5418 -183818.4080 -149422.7858 298.2862 35.3659 69.0423 555997.0763 -9.8091 -9.8628 PRESSURE: 1645200 291.132 -80.9469 -69.7936 -80.9454 35.5877 -90.3447 -69.7928 -90.3434 294.604 GPRESSURE: 1645200 296.992 -112.177 -71.4689 -52.4081 86.2243 -76.4166 -8.84353 -113.191 339.033 PRESSAVG: 1645200 -18.8906 4.10606 -30.6859 4.10607 7.89933 21.6567 -30.6858 21.6568 36.9459 GPRESSAVG: 1645200 -17.4656 5.95914 -29.6896 0.0826204 7.12421 22.4781 -30.2935 21.3278 36.3998 TIMING: 1645200 CPU: 4777.69, 0.00291038/step Wall: 4777.69, 0.00291038/step, 2.71215 hours remaining, 204.851562 MB of memory in use. ENERGY: 1645200 777.0990 2073.6240 1960.5954 112.0351 -206752.7116 18098.0992 0.0000 0.0000 34374.6176 -149356.6413 300.2021 -183731.2589 -149267.7778 299.6798 207.1077 240.7497 556202.1778 8.6515 8.6861 PRESSURE: 1645400 34.7561 34.6019 -246.814 34.6017 10.011 -77.1945 -246.813 -77.1945 -147.709 GPRESSURE: 1645400 67.8031 108.822 -193.6 18.3105 36.6759 -132.822 -280.364 -56.0174 -110.269 PRESSAVG: 1645400 1.06551 10.3692 -45.931 10.3691 -9.30344 36.3321 -45.931 36.3321 6.79206 GPRESSAVG: 1645400 0.910708 9.17454 -45.1404 14.2208 -8.92146 33.5845 -44.7031 37.6376 6.5578 TIMING: 1645400 CPU: 4778.28, 0.00291499/step Wall: 4778.28, 0.00291499/step, 2.71629 hours remaining, 204.921875 MB of memory in use. ENERGY: 1645400 712.6964 2061.0778 1934.7791 124.4888 -206295.7424 17778.4073 0.0000 0.0000 34141.0693 -149543.2239 298.1624 -183684.2931 -149439.2855 298.3919 -34.3140 -1.9301 558465.9210 -0.4820 -0.4843 PRESSURE: 1645600 -195.574 -3.11461 53.4312 -3.11468 31.3652 14.6385 53.4322 14.6387 -151.036 GPRESSURE: 1645600 -149.188 -23.4927 72.3164 -8.89993 94.9821 40.2849 60.2922 -14.0308 -166.326 PRESSAVG: 1645600 -5.09092 22.5379 -29.7347 22.5377 -22.8043 -11.7968 -29.7347 -11.7969 -24.8237 GPRESSAVG: 1645600 -4.89339 21.7147 -28.9492 22.0303 -22.2691 -9.75216 -32.238 -12.5604 -26.2378 TIMING: 1645600 CPU: 4778.86, 0.00291396/step Wall: 4778.86, 0.00291396/step, 2.71516 hours remaining, 204.921875 MB of memory in use. ENERGY: 1645600 762.0818 2083.6454 1953.6250 113.0269 -206283.0514 17838.9135 0.0000 0.0000 34159.2238 -149372.5350 298.3210 -183531.7588 -149272.4257 298.5130 -105.0816 -73.5107 556843.5839 -17.5730 -17.8001 PRESSURE: 1645800 67.6313 110.338 -2.9858 110.338 -9.64808 -153.287 -2.98644 -153.286 112.879 GPRESSURE: 1645800 94.5631 127.812 1.85761 69.8809 20.2091 -171.442 66.671 -60.4746 162.71 PRESSAVG: 1645800 -3.60504 38.3916 5.5707 38.3915 0.228554 3.07508 5.57064 3.07513 49.1522 GPRESSAVG: 1645800 -3.79669 40.4318 3.99878 35.2372 -1.337 3.79611 8.48171 3.17605 50.8434 TIMING: 1645800 CPU: 4779.44, 0.00291522/step Wall: 4779.44, 0.00291522/step, 2.71617 hours remaining, 204.921875 MB of memory in use. ENERGY: 1645800 733.6357 2084.2178 1928.0154 124.5472 -206378.6545 17928.1164 0.0000 0.0000 34156.8248 -149423.2972 298.3000 -183580.1220 -149324.6062 298.9677 56.9540 92.4942 557525.3640 15.2586 15.2366 PRESSURE: 1646000 119.959 30.3759 -92.8953 30.3762 -49.6461 136.769 -92.896 136.769 83.5135 GPRESSURE: 1646000 125.259 26.5075 -4.96229 6.55187 -5.13331 159.757 -76.6809 125.851 128.764 PRESSAVG: 1646000 -26.0121 34.3347 3.47681 34.3346 -15.7394 -12.7158 3.47676 -12.7157 49.9808 GPRESSAVG: 1646000 -26.1855 34.5959 2.85007 33.0207 -14.1469 -14.1801 2.4614 -12.5331 48.9661 TIMING: 1646000 CPU: 4780.03, 0.00292089/step Wall: 4780.03, 0.00292089/step, 2.72129 hours remaining, 204.921875 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: 1646000 713.8350 2072.2556 1935.5393 115.8092 -206546.6312 17870.1074 0.0000 0.0000 34303.3021 -149535.7827 299.5793 -183839.0848 -149448.0276 298.3981 51.2754 82.9634 556361.3359 2.7431 2.8779 PRESSURE: 1646200 118.936 -4.43314 46.3759 -4.43288 32.5981 74.0832 46.3749 74.0839 -93.9193 GPRESSURE: 1646200 94.2384 19.0808 72.0129 -19.7134 94.4454 67.6735 -31.0735 83.6366 -32.9733 PRESSAVG: 1646200 60.1469 36.6004 23.7617 36.6004 3.64752 -49.3762 23.7617 -49.3762 -0.665632 GPRESSAVG: 1646200 60.7938 36.6317 23.8843 38.2301 3.90159 -49.8922 26.0055 -48.4796 -1.38904 TIMING: 1646200 CPU: 4780.61, 0.00292093/step Wall: 4780.61, 0.00292093/step, 2.72117 hours remaining, 204.921875 MB of memory in use. ENERGY: 1646200 748.7018 2089.9542 1946.9627 112.4966 -206590.9442 17942.1910 0.0000 0.0000 34177.2185 -149573.4194 298.4781 -183750.6379 -149476.2084 298.8332 19.2050 51.9035 556989.1936 21.0429 21.1021 PRESSURE: 1646400 -85.2309 -6.84786 226.11 -6.84836 88.9906 -106.084 226.111 -106.081 -251.695 GPRESSURE: 1646400 20.6603 -30.3321 161.721 -95.6056 12.2205 -102.884 295.999 -88.8524 -192.902 PRESSAVG: 1646400 5.67467 26.8082 17.2036 26.8082 18.0086 -8.7437 17.2035 -8.74351 -11.1817 GPRESSAVG: 1646400 5.96439 25.3804 19.0477 26.3104 16.7632 -9.08642 16.1215 -8.13896 -10.5696 TIMING: 1646400 CPU: 4781.19, 0.00290796/step Wall: 4781.19, 0.00290796/step, 2.70893 hours remaining, 204.921875 MB of memory in use. ENERGY: 1646400 714.3881 2076.8109 1959.6647 105.5054 -206121.5950 17669.0962 0.0000 0.0000 34096.6147 -149499.5150 297.7742 -183596.1297 -149406.7300 298.0955 -82.6451 -53.3405 558478.2817 4.1672 4.0527 PRESSURE: 1646600 49.1351 -39.7131 87.2924 -39.7118 -227.232 76.8636 87.293 76.8635 -91.5668 GPRESSURE: 1646600 59.4623 -67.445 91.3864 -37.9072 -185.894 -0.942475 91.1879 43.5299 -49.3417 PRESSAVG: 1646600 65.3521 46.164 13.396 46.164 12.6625 -9.53725 13.3959 -9.53724 -62.4236 GPRESSAVG: 1646600 64.8035 47.6662 12.977 46.7136 14.9686 -10.055 13.743 -10.193 -64.3635 TIMING: 1646600 CPU: 4781.77, 0.00289985/step Wall: 4781.77, 0.00289985/step, 2.70121 hours remaining, 204.921875 MB of memory in use. ENERGY: 1646600 733.0567 2061.7381 1944.6952 110.5320 -206237.7009 17774.6869 0.0000 0.0000 34224.2602 -149388.7318 298.8890 -183612.9921 -149296.5935 298.3310 -89.8878 -58.5911 557837.6383 5.1970 5.1362 PRESSURE: 1646800 -1.92125 88.1496 154.361 88.15 -94.7561 137.614 154.363 137.614 -77.1983 GPRESSURE: 1646800 108.416 161.84 119.994 72.525 -68.0232 149.72 137.789 152.784 -98.4398 PRESSAVG: 1646800 53.7347 -25.7624 -49.1622 -25.7623 -22.1457 -17.5068 -49.1622 -17.5068 -2.87423 GPRESSAVG: 1646800 53.9546 -26.0538 -50.123 -24.0064 -23.881 -14.6867 -50.6116 -18.8299 -1.73212 TIMING: 1646800 CPU: 4782.35, 0.00291569/step Wall: 4782.35, 0.00291569/step, 2.7158 hours remaining, 204.921875 MB of memory in use. ENERGY: 1646800 733.4469 1986.0367 1951.8037 103.7206 -205977.9929 17640.1604 0.0000 0.0000 34215.4147 -149347.4099 298.8117 -183562.8246 -149251.5076 299.0823 -57.9585 -19.3489 556190.9499 9.5716 9.4471 PRESSURE: 1647000 90.7991 39.1548 -75.6491 39.1538 153.956 -1.28489 -75.6476 -1.28566 -238.755 GPRESSURE: 1647000 116.495 24.1113 -84.7009 37.455 176.856 -74.9612 -112.793 63.6616 -180.619 PRESSAVG: 1647000 42.614 60.5713 -4.94438 60.5713 1.75013 22.6415 -4.94446 22.6414 -46.0001 GPRESSAVG: 1647000 41.979 63.1781 -5.59523 57.3554 2.88121 22.5205 -3.39599 23.902 -46.6688 TIMING: 1647000 CPU: 4782.94, 0.00291037/step Wall: 4782.94, 0.00291037/step, 2.71069 hours remaining, 204.921875 MB of memory in use. ENERGY: 1647000 797.2624 2048.5021 1943.2735 123.5722 -206508.2076 18012.3216 0.0000 0.0000 34169.5339 -149413.7419 298.4110 -183583.2759 -149322.7304 298.7695 2.0001 37.5775 557208.2765 -0.5453 -0.6029 PRESSURE: 1647200 67.4903 -70.1777 -6.69235 -70.1774 185.443 105.601 -6.69059 105.6 140.69 GPRESSURE: 1647200 136.439 -135.757 -20.3793 -36.3037 221.053 139.642 63.1494 127.371 122.19 PRESSAVG: 1647200 44.4371 -8.704 -26.9454 -8.70404 4.18191 49.1849 -26.9455 49.1849 -76.297 GPRESSAVG: 1647200 45.594 -10.1512 -24.063 -7.60508 2.43176 49.178 -29.3782 49.7505 -75.8628 TIMING: 1647200 CPU: 4783.51, 0.00289396/step Wall: 4783.51, 0.00289396/step, 2.69524 hours remaining, 204.921875 MB of memory in use. ENERGY: 1647200 755.3001 2011.8563 1952.6728 103.4479 -206635.5264 18074.3131 0.0000 0.0000 34367.3409 -149370.5952 300.1385 -183737.9361 -149267.5859 298.5801 131.2079 159.8939 556810.6284 -9.2260 -9.2790 PRESSURE: 1647400 266.427 153.329 -97.6587 153.328 153.022 98.5938 -97.6584 98.592 -120.614 GPRESSURE: 1647400 275.365 186.772 -9.10355 176.456 215.051 76.6261 -128.837 125.367 -105.442 PRESSAVG: 1647400 46.1501 -21.5226 25.0458 -21.5227 0.276092 53.71 25.0458 53.7099 -80.6899 GPRESSAVG: 1647400 45.6719 -22.1536 24.3358 -20.9483 0.738328 51.9654 25.6014 51.8302 -80.9956 TIMING: 1647400 CPU: 4784.09, 0.00289104/step Wall: 4784.09, 0.00289104/step, 2.69236 hours remaining, 204.921875 MB of memory in use. ENERGY: 1647400 742.0289 2054.6216 1955.2988 98.7869 -206388.8455 17933.3964 0.0000 0.0000 34275.2080 -149329.5047 299.3339 -183604.7127 -149231.0096 298.3925 99.6116 128.3247 558307.4660 -11.4212 -11.5285 PRESSURE: 1647600 -2.65249 -89.5879 44.6977 -89.5863 -20.9919 57.8837 44.6992 57.8841 -94.9363 GPRESSURE: 1647600 32.0187 -65.3065 -26.9468 -62.5496 -17.0775 -24.2771 112.008 116.279 -32.1645 PRESSAVG: 1647600 44.1528 18.9785 -5.43844 18.9785 -0.518889 16.422 -5.43842 16.422 -61.0005 GPRESSAVG: 1647600 43.7981 18.1368 -6.58721 21.1139 -0.278523 16.0989 -4.03926 16.4747 -61.2044 TIMING: 1647600 CPU: 4784.67, 0.00289264/step Wall: 4784.67, 0.00289264/step, 2.69369 hours remaining, 204.921875 MB of memory in use. ENERGY: 1647600 740.7639 2097.7543 1932.0134 113.6593 -206476.6045 17943.7426 0.0000 0.0000 34366.6716 -149281.9995 300.1327 -183648.6711 -149185.6470 298.6986 -39.5269 -5.7411 558013.7221 -5.7888 -5.8949 PRESSURE: 1647800 61.1231 63.4344 -50.3499 63.4336 -60.8567 -30.7826 -50.3501 -30.7837 -30.4486 GPRESSURE: 1647800 74.1051 102.412 -84.489 53.8863 1.10299 -107.377 -2.43548 -85.6941 -5.79216 PRESSAVG: 1647800 37.2239 -5.97926 -53.5397 -5.97925 -6.71515 -3.08978 -53.5398 -3.08981 -3.25438 GPRESSAVG: 1647800 36.9137 -4.74635 -52.5748 -9.02801 -6.33204 -2.46236 -54.1847 -3.5663 -3.29285 TIMING: 1647800 CPU: 4785.25, 0.00288767/step Wall: 4785.25, 0.00288767/step, 2.6889 hours remaining, 204.921875 MB of memory in use. ENERGY: 1647800 747.4192 2055.4642 1942.4341 113.1629 -206149.6516 17852.6212 0.0000 0.0000 34249.7025 -149188.8475 299.1112 -183438.5500 -149088.8271 298.9955 -10.0607 23.1386 558699.3834 9.0848 9.0963 PRESSURE: 1648000 -120.725 -80.7703 -51.1835 -80.77 121.309 5.40968 -51.1825 5.41089 -110.396 GPRESSURE: 1648000 -73.6058 -134.377 -116.358 -107.937 120.374 19.1544 8.7071 21.0825 -79.7327 PRESSAVG: 1648000 -57.0638 -21.4195 3.93503 -21.4195 36.2082 3.62707 3.93494 3.62697 59.3189 GPRESSAVG: 1648000 -57.0153 -22.0144 2.25648 -20.6628 35.3406 4.0747 5.14278 2.86919 59.5013 TIMING: 1648000 CPU: 4785.83, 0.00289016/step Wall: 4785.83, 0.00289016/step, 2.69106 hours remaining, 204.921875 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: 1648000 770.6300 2052.6256 1935.8416 113.3169 -205905.7202 17727.9912 0.0000 0.0000 34251.2122 -149054.1028 299.1244 -183305.3150 -148964.6344 299.3830 -36.6041 -10.9881 557394.3910 12.8211 12.6088 PRESSURE: 1648200 -11.8108 55.8442 -87.2927 55.8449 -16.2251 61.3489 -87.2927 61.3512 -23.602 GPRESSURE: 1648200 16.9611 88.9233 -121.645 60.22 -22.1765 142.057 -78.2881 23.6201 53.6521 PRESSAVG: 1648200 50.8523 -10.5437 -17.0797 -10.5438 -9.43833 43.5435 -17.0797 43.5436 -54.7447 GPRESSAVG: 1648200 51.1899 -10.0884 -16.598 -10.2152 -10.0017 42.6158 -18.5739 44.0862 -54.4545 TIMING: 1648200 CPU: 4786.41, 0.00289895/step Wall: 4786.41, 0.00289895/step, 2.69908 hours remaining, 204.921875 MB of memory in use. ENERGY: 1648200 749.5556 2067.9097 1960.0206 110.2369 -205830.0123 17727.0342 0.0000 0.0000 34091.2680 -149123.9872 297.7275 -183215.2552 -149033.8903 299.2167 -17.2126 16.1456 557258.6187 -4.4436 -4.4221 LDB: ============= START OF LOAD BALANCING ============== 4789.87 LDB: ============== END OF LOAD BALANCING =============== 4789.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4789.87 LDB: ============= START OF LOAD BALANCING ============== 4790.16 LDB: Largest compute 4821 load 0.028960 is 24.6% of average load 0.117695 LDB: Average compute 0.001715 is 1.5% of average load 0.117695 LDB: TIME 4790.17 LOAD: AVG 0.117695 MAX 0.178618 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.594 MB LDB: TIME 4790.17 LOAD: AVG 0.117695 MAX 0.178618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: TIME 4790.17 LOAD: AVG 0.117695 MAX 0.178618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4790.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4790.17 PRESSURE: 1648400 57.2259 -153.839 4.50545 -153.837 135.756 105.743 4.50653 105.744 32.6052 GPRESSURE: 1648400 104.24 -118.468 55.2287 -155.418 138.628 89.7281 -12.7973 105.551 86.1387 PRESSAVG: 1648400 29.6898 -20.5612 9.14126 -20.5613 30.0347 34.8751 9.14131 34.8752 -60.1948 GPRESSAVG: 1648400 28.8486 -18.4405 11.4286 -21.4822 30.6426 33.6234 8.67857 37.8444 -59.6567 TIMING: 1648400 CPU: 4787, 0.00295033/step Wall: 4787, 0.00295033/step, 2.74676 hours remaining, 205.621094 MB of memory in use. ENERGY: 1648400 703.9180 2148.4636 1979.7740 131.3965 -206318.0175 18015.1127 0.0000 0.0000 34369.2380 -148970.1148 300.1551 -183339.3528 -148880.8899 298.9971 75.1956 109.6686 556717.5341 -0.1567 -0.0552 PRESSURE: 1648600 154.66 41.8725 84.4432 41.8734 70.0212 -156.736 84.4418 -156.734 -129.433 GPRESSURE: 1648600 144.883 80.1618 62.8484 -8.58874 153.539 -155.756 56.5325 -113.48 -98.5133 PRESSAVG: 1648600 39.0882 -40.1559 -33.1428 -40.1558 -33.309 -47.4566 -33.1428 -47.4567 18.1498 GPRESSAVG: 1648600 39.7095 -42.9687 -35.584 -37.3091 -33.978 -44.3536 -31.5586 -49.9323 18.7619 TIMING: 1648600 CPU: 4787.58, 0.00291729/step Wall: 4787.58, 0.00291729/step, 2.71584 hours remaining, 205.824219 MB of memory in use. ENERGY: 1648600 771.3550 2133.1830 1940.7449 110.0537 -206378.9185 17945.4830 0.0000 0.0000 34442.6862 -149035.4128 300.7965 -183478.0990 -148940.5373 300.3296 31.7495 66.6363 556606.4376 7.9763 8.1645 PRESSURE: 1648800 -5.02826 -151.501 -111.659 -151.501 74.5202 23.077 -111.658 23.0759 -100.608 GPRESSURE: 1648800 49 -141.298 -61.4866 -163.956 123.346 66.7624 -181.176 -39.39 -106.004 PRESSAVG: 1648800 23.349 -20.1201 -35.4449 -20.12 54.0832 -24.9071 -35.4449 -24.9071 -52.6933 GPRESSAVG: 1648800 23.8591 -17.645 -33.8035 -21.7878 55.5289 -26.6391 -36.6307 -23.9105 -54.6432 TIMING: 1648800 CPU: 4788.16, 0.00290595/step Wall: 4788.16, 0.00290595/step, 2.70511 hours remaining, 205.824219 MB of memory in use. ENERGY: 1648800 740.7616 2064.4621 1944.5864 120.7675 -206061.4513 17859.6851 0.0000 0.0000 34310.8724 -149020.3163 299.6454 -183331.1888 -148920.6461 300.3746 -10.3719 22.1139 557932.4906 8.2463 8.2483 PRESSURE: 1649000 98.0499 58.962 15.9341 58.9632 -24.7217 -87.4118 15.9335 -87.4113 -124.888 GPRESSURE: 1649000 91.1766 134.048 47.2859 26.699 52.477 -173.481 -96.0858 26.0782 -95.662 PRESSAVG: 1649000 41.2074 6.24745 14.5032 6.24737 -8.30351 15.9123 14.5033 15.9124 -50.3986 GPRESSAVG: 1649000 41.9171 6.64475 12.7417 4.85594 -9.20283 16.1065 14.5829 15.4728 -50.2511 TIMING: 1649000 CPU: 4788.74, 0.0029157/step Wall: 4788.74, 0.0029157/step, 2.71403 hours remaining, 206.027344 MB of memory in use. ENERGY: 1649000 739.9811 2103.7824 1954.1087 121.1914 -205697.7023 17636.3029 0.0000 0.0000 34177.8665 -148964.4693 298.4838 -183142.3358 -148874.7060 299.7069 -17.1868 15.9972 558856.3480 -5.8316 -5.8456 PRESSURE: 1649200 126.843 216.975 -49.4074 216.974 -318.114 183.146 -49.4087 183.146 304.276 GPRESSURE: 1649200 199.67 135.299 19.2581 234.754 -263.771 202.33 10.8822 60.051 272.679 PRESSAVG: 1649200 -2.85283 72.6468 2.36732 72.6468 -43.1225 -26.5525 2.36728 -26.5526 73.4202 GPRESSAVG: 1649200 -3.60926 71.6589 3.01427 73.2362 -42.1484 -26.9855 1.69565 -27.8219 73.0564 TIMING: 1649200 CPU: 4789.32, 0.00288771/step Wall: 4789.32, 0.00288771/step, 2.68782 hours remaining, 206.027344 MB of memory in use. ENERGY: 1649200 757.7925 2066.2375 1949.7336 117.7775 -206024.9614 17915.2070 0.0000 0.0000 34256.7102 -148961.5031 299.1724 -183218.2133 -148866.9814 299.6038 37.6683 69.5262 557547.7585 9.1483 9.0996 PRESSURE: 1649400 106.967 -214.707 68.6165 -214.707 145.652 128.986 68.6176 128.986 143.617 GPRESSURE: 1649400 137.702 -135.792 122.018 -252.997 150.156 147.528 133.853 56.1762 200.478 PRESSAVG: 1649400 -20.4868 26.2606 -47.8232 26.2606 -53.3877 57.7209 -47.8232 57.7208 38.413 GPRESSAVG: 1649400 -19.947 25.7291 -45.7323 26.4484 -53.6598 59.6376 -47.4206 57.5874 38.5685 TIMING: 1649400 CPU: 4789.9, 0.00289724/step Wall: 4789.9, 0.00289724/step, 2.69652 hours remaining, 206.027344 MB of memory in use. ENERGY: 1649400 764.6478 2074.4655 1941.8727 122.4034 -206382.8403 18171.0737 0.0000 0.0000 34369.4946 -148938.8825 300.1573 -183308.3772 -148842.3118 299.6617 132.0787 162.7787 558865.5933 -11.8205 -11.6794 PRESSURE: 1649600 5.79509 -118.667 46.7376 -118.666 57.1242 131.123 46.7385 131.123 239.73 GPRESSURE: 1649600 22.2049 -78.7459 -6.72698 -154.923 92.3952 134.28 32.6281 98.065 289.845 PRESSAVG: 1649600 -5.93338 -14.6244 34.2454 -14.6244 10.2478 -6.6678 34.2453 -6.6678 1.74768 GPRESSAVG: 1649600 -5.13416 -14.1278 32.3479 -14.4218 9.41143 -8.65047 33.3686 -4.60165 1.63284 TIMING: 1649600 CPU: 4790.48, 0.00288477/step Wall: 4790.48, 0.00288477/step, 2.68476 hours remaining, 206.027344 MB of memory in use. ENERGY: 1649600 779.2092 2080.8089 1949.0821 127.5474 -206248.9075 18098.4174 0.0000 0.0000 34349.1138 -148864.7287 299.9794 -183213.8425 -148771.8104 299.1031 100.8830 134.8151 558427.8706 2.0207 1.9700 PRESSURE: 1649800 20.1919 103.522 -8.73464 103.521 -176.618 87.3608 -8.73405 87.3616 96.346 GPRESSURE: 1649800 51.8643 135.283 117.776 7.2029 -88.2047 145.634 -2.20526 75.15 63.0062 PRESSAVG: 1649800 -69.6105 -28.1314 -4.90189 -28.1313 22.0459 12.4663 -4.90187 12.4664 67.147 GPRESSAVG: 1649800 -70.6681 -28.514 -4.32498 -29.2952 22.9546 14.3369 -2.87707 12.4948 67.5807 TIMING: 1649800 CPU: 4791.06, 0.00288661/step Wall: 4791.06, 0.00288661/step, 2.68631 hours remaining, 206.027344 MB of memory in use. ENERGY: 1649800 794.4704 2116.1763 1966.0517 120.3843 -206282.7264 17984.9829 0.0000 0.0000 34332.8113 -148967.8494 299.8370 -183300.6607 -148870.4299 299.7448 -20.0266 8.8886 557589.4002 6.5275 6.6224 PRESSURE: 1650000 28.4575 -89.0597 75.6287 -89.0588 159.337 -40.0538 75.6285 -40.0527 94.1687 GPRESSURE: 1650000 180.916 -56.7416 151.972 -131.107 105.855 -128.571 47.037 -107.293 93.9314 PRESSAVG: 1650000 20.7659 -16.5833 59.2809 -16.5833 51.4431 -17.8839 59.2808 -17.8838 -43.1493 GPRESSAVG: 1650000 21.7124 -15.9284 61.3147 -15.1057 50.982 -20.9982 57.1111 -18.0987 -43.9689 TIMING: 1650000 CPU: 4791.63, 0.00287836/step Wall: 4791.63, 0.00287836/step, 2.67847 hours remaining, 206.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1650000 731.6074 2165.2511 1963.8618 110.1497 -206394.0895 18008.3572 0.0000 0.0000 34436.9865 -148977.8757 300.7468 -183414.8622 -148878.6571 300.2298 93.9876 126.9009 558171.2789 9.6865 9.5752 PRESSURE: 1650200 -4.26992 72.08 -4.03195 72.0793 -259.04 -189.949 -4.03142 -189.947 44.3647 GPRESSURE: 1650200 91.2263 42.0196 -89.3928 44.5085 -223.504 -150.746 67.9131 -153.663 5.79244 PRESSAVG: 1650200 53.0552 7.78162 64.3344 7.78163 47.6713 -57.8662 64.3344 -57.8663 -108.721 GPRESSAVG: 1650200 51.0963 6.61542 62.6813 6.04213 48.7536 -56.5724 65.6566 -56.2679 -107.818 TIMING: 1650200 CPU: 4792.21, 0.00288248/step Wall: 4792.21, 0.00288248/step, 2.68215 hours remaining, 206.027344 MB of memory in use. ENERGY: 1650200 755.3847 2075.6021 1933.9423 113.0147 -206003.2538 17837.0840 0.0000 0.0000 34231.7510 -149056.4750 298.9544 -183288.2259 -148966.1175 299.4688 -72.9816 -42.1618 559268.9334 -2.6648 -2.6560 PRESSURE: 1650400 -156.053 2.99297 5.05931 2.99173 -336.024 83.2124 5.05897 83.212 -293.84 GPRESSURE: 1650400 -155.82 -12.4723 -12.543 25.4958 -265.38 192.622 -61.1006 117.9 -263.266 PRESSAVG: 1650400 19.1301 7.73062 10.7471 7.73061 12.4364 -71.6647 10.747 -71.6646 -28.6337 GPRESSAVG: 1650400 19.6379 7.60235 9.2991 9.16184 12.7143 -70.6416 10.7924 -71.7833 -29.7113 TIMING: 1650400 CPU: 4792.79, 0.00289134/step Wall: 4792.79, 0.00289134/step, 2.69023 hours remaining, 206.027344 MB of memory in use. ENERGY: 1650400 762.9880 2094.6691 1947.9992 117.9222 -205660.3469 17353.9089 0.0000 0.0000 34222.4218 -149160.4376 298.8729 -183382.8594 -149065.9249 300.2848 -261.9726 -228.1552 556949.1811 0.9776 0.8803 PRESSURE: 1650600 -117.996 -18.906 -127.223 -18.906 -318.107 -106.848 -127.224 -106.847 -217.021 GPRESSURE: 1650600 -108.898 -56.3716 -175.067 -4.44654 -254.54 -103.714 -179.099 -101.916 -195.936 PRESSAVG: 1650600 -1.93347 28.544 -16.9894 28.544 -21.3613 4.78582 -16.9894 4.78579 19.2124 GPRESSAVG: 1650600 -1.97891 28.8572 -17.5208 27.6025 -21.8968 3.85286 -16.6678 4.00178 19.606 TIMING: 1650600 CPU: 4793.36, 0.00289002/step Wall: 4793.36, 0.00289002/step, 2.68884 hours remaining, 206.027344 MB of memory in use. ENERGY: 1650600 744.6675 2076.8576 1950.8047 106.4876 -205825.7314 17489.1192 0.0000 0.0000 34258.8746 -149198.9203 299.1913 -183457.7948 -149093.5266 299.6541 -217.7079 -186.4582 558684.1443 -1.3608 -1.4232 PRESSURE: 1650800 -179.014 118.186 -235.926 118.185 -293.47 106.858 -235.926 106.86 81.9926 GPRESSURE: 1650800 -117.406 236.12 -199.148 71.9308 -262.099 61.6944 -234.607 63.3212 85.5558 PRESSAVG: 1650800 -40.7891 16.5708 -53.6988 16.5709 28.3053 24.7586 -53.6988 24.7586 20.5674 GPRESSAVG: 1650800 -40.0999 16.1519 -52.1634 15.6185 28.934 24.9994 -54.5714 25.7375 19.4884 TIMING: 1650800 CPU: 4793.95, 0.00292349/step Wall: 4793.95, 0.00292349/step, 2.71982 hours remaining, 206.027344 MB of memory in use. ENERGY: 1650800 730.7155 2083.4843 1956.4595 119.0589 -206199.6234 17626.0126 0.0000 0.0000 34387.3465 -149296.5461 300.3132 -183683.8925 -149204.9725 298.7554 -130.1638 -97.9832 557294.0105 2.6945 2.7742 PRESSURE: 1651000 40.6996 -94.7867 -69.3874 -94.7872 -11.1232 166.812 -69.3876 166.811 -396.906 GPRESSURE: 1651000 70.4833 -69.8146 -38.5097 -11.8004 4.06627 151.946 -101.768 183.193 -356.512 PRESSAVG: 1651000 0.784014 43.6223 -19.2792 43.6223 -1.13864 19.1031 -19.2792 19.1032 -28.1093 GPRESSAVG: 1651000 0.855725 44.0211 -19.6428 45.7759 -2.29673 19.2065 -17.5951 18.6727 -26.3813 TIMING: 1651000 CPU: 4794.53, 0.00292584/step Wall: 4794.53, 0.00292584/step, 2.72184 hours remaining, 206.027344 MB of memory in use. ENERGY: 1651000 729.6904 2115.1409 1963.6581 135.5965 -206359.3869 17701.2734 0.0000 0.0000 34326.6371 -149387.3906 299.7831 -183714.0277 -149286.3729 299.1662 -122.4433 -93.9876 557341.3888 -9.4880 -9.2741 PRESSURE: 1651200 66.528 -46.2077 -61.2226 -46.208 62.1268 -62.246 -61.223 -62.2454 55.4209 GPRESSURE: 1651200 82.1681 0.143932 -41.5633 -115.728 124.492 -117.656 -81.6348 -100.321 72.3615 PRESSAVG: 1651200 -22.4882 11.9374 -97.6589 11.9374 32.244 26.6964 -97.659 26.6963 -26.906 GPRESSAVG: 1651200 -22.1448 13.2724 -96.413 10.7902 32.654 25.849 -97.4899 26.3566 -27.3011 TIMING: 1651200 CPU: 4795.11, 0.00289554/step Wall: 4795.11, 0.00289554/step, 2.6935 hours remaining, 206.027344 MB of memory in use. ENERGY: 1651200 788.6898 2061.3522 1967.3121 106.4299 -206514.7558 17995.3980 0.0000 0.0000 34289.4936 -149306.0802 299.4587 -183595.5738 -149211.3955 299.3480 61.3586 93.0073 556547.7289 -5.7167 -5.5973 PRESSURE: 1651400 -173.215 116.243 14.7144 116.243 -58.4088 -27.348 14.7155 -27.3477 -16.2058 GPRESSURE: 1651400 -122.58 23.0432 60.8284 159.277 -43.5902 4.69593 -71.3876 -60.1709 13.9658 PRESSAVG: 1651400 11.2671 44.084 -37.7595 44.084 17.5363 64.5145 -37.7596 64.5144 -15.0471 GPRESSAVG: 1651400 11.8426 42.4924 -38.6773 44.3387 17.4467 66.7818 -39.6268 64.659 -16.0103 TIMING: 1651400 CPU: 4795.69, 0.00290215/step Wall: 4795.69, 0.00290215/step, 2.69948 hours remaining, 206.027344 MB of memory in use. ENERGY: 1651400 775.2370 2065.3239 1960.8669 128.7093 -206356.4670 17747.3507 0.0000 0.0000 34364.2474 -149314.7317 300.1115 -183678.9791 -149225.7164 299.1827 -82.6098 -50.7347 557032.7197 4.5854 4.4264 PRESSURE: 1651600 -26.0474 142.711 -295.299 142.711 114.384 219.669 -295.298 219.669 -79.7676 GPRESSURE: 1651600 -19.5899 181.112 -287.033 190.864 132.897 245.877 -224.274 220.558 -5.91754 PRESSAVG: 1651600 -46.4705 35.5481 15.5668 35.5481 61.5493 5.90655 15.5668 5.90647 -4.45815 GPRESSAVG: 1651600 -47.222 35.8585 15.9594 35.481 60.6009 4.32935 16.7477 7.26417 -2.64777 TIMING: 1651600 CPU: 4796.27, 0.00288484/step Wall: 4796.27, 0.00288484/step, 2.68322 hours remaining, 206.027344 MB of memory in use. ENERGY: 1651600 762.7574 2130.9626 1974.0613 113.3747 -206615.9624 18122.6020 0.0000 0.0000 34189.2124 -149322.9920 298.5829 -183512.2044 -149220.5540 299.5729 2.8565 35.7967 557524.5348 3.5402 3.5770 PRESSURE: 1651800 -107.5 -231.278 -109.762 -231.278 -206.665 73.6415 -109.763 73.6406 -445.893 GPRESSURE: 1651800 -111.713 -261.523 -43.9691 -183.009 -162.58 76.5714 -134.072 20.2023 -389.759 PRESSAVG: 1651800 -11.83 -27.2402 76.544 -27.2401 24.2912 -20.8899 76.5441 -20.8899 -67.566 GPRESSAVG: 1651800 -12.6773 -26.8172 77.3999 -27.0594 24.9438 -20.0425 76.1517 -23.5125 -67.3912 TIMING: 1651800 CPU: 4796.85, 0.00290191/step Wall: 4796.85, 0.00290191/step, 2.69894 hours remaining, 206.027344 MB of memory in use. ENERGY: 1651800 747.6899 2088.8915 1934.5997 114.6451 -206030.7919 17636.1496 0.0000 0.0000 34207.2991 -149301.5171 298.7409 -183508.8162 -149206.0329 299.5356 -253.3525 -221.3509 557889.8356 -18.3683 -18.3749 PRESSURE: 1652000 122.72 72.6284 -119.362 72.6288 108.924 -224.541 -119.362 -224.541 -226.953 GPRESSURE: 1652000 184.232 12.4066 -121.218 140.12 85.5808 -192.498 -58.868 -300.589 -165.566 PRESSAVG: 1652000 71.0158 21.3109 -18.7673 21.3109 6.30313 0.997578 -18.7671 0.997609 -53.2663 GPRESSAVG: 1652000 72.6945 20.8933 -17.6301 21.5379 5.7999 1.72639 -17.943 1.935 -54.9004 TIMING: 1652000 CPU: 4797.43, 0.00288865/step Wall: 4797.43, 0.00288865/step, 2.68645 hours remaining, 206.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1652000 767.2297 2140.5152 1935.2661 131.6545 -206343.8364 17865.9584 0.0000 0.0000 34113.5789 -149389.6336 297.9224 -183503.2125 -149291.2067 299.2370 1.5637 34.7489 558056.5514 8.0175 7.8647 PRESSURE: 1652200 85.1151 63.725 -129.109 63.725 -342.135 -50.7534 -129.11 -50.7533 -34.7944 GPRESSURE: 1652200 135.076 96.993 -227.488 66.2547 -342.101 29.9568 -192.566 -91.9 3.01587 PRESSAVG: 1652200 124.918 71.8859 -10.1813 71.886 -40.5161 -13.3928 -10.1813 -13.3928 -80.7114 GPRESSAVG: 1652200 123.914 70.5847 -12.1301 71.918 -40.4077 -11.398 -9.14742 -15.9961 -79.5281 TIMING: 1652200 CPU: 4798.01, 0.00289148/step Wall: 4798.01, 0.00289148/step, 2.68892 hours remaining, 206.027344 MB of memory in use. ENERGY: 1652200 777.6709 2085.5560 1934.3305 109.0576 -206126.3512 17857.8655 0.0000 0.0000 33961.1593 -149400.7114 296.5913 -183361.8707 -149305.4316 298.1593 -97.2715 -68.0030 558665.9087 1.2302 1.3261 LDB: ============= START OF LOAD BALANCING ============== 4801.47 LDB: ============== END OF LOAD BALANCING =============== 4801.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4801.47 LDB: ============= START OF LOAD BALANCING ============== 4801.76 LDB: Largest compute 4821 load 0.028039 is 23.8% of average load 0.117653 LDB: Average compute 0.001722 is 1.5% of average load 0.117653 LDB: TIME 4801.76 LOAD: AVG 0.117653 MAX 0.178444 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.785 MB LDB: TIME 4801.77 LOAD: AVG 0.117653 MAX 0.178444 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.785 MB LDB: TIME 4801.77 LOAD: AVG 0.117653 MAX 0.178444 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4801.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4801.77 PRESSURE: 1652400 -56.8252 175.291 106.952 175.291 14.2849 -75.0288 106.95 -75.0285 191.578 GPRESSURE: 1652400 -32.2278 125.223 37.9474 143.023 83.8627 8.13535 147.998 -128.101 194.164 PRESSAVG: 1652400 112.384 11.0061 -55.1873 11.0061 -79.3364 14.8575 -55.1873 14.8575 -25.7973 GPRESSAVG: 1652400 111.853 12.0277 -53.6701 11.1781 -79.5528 12.0269 -56.0006 18.0269 -25.7415 TIMING: 1652400 CPU: 4798.6, 0.0029444/step Wall: 4798.6, 0.0029444/step, 2.73797 hours remaining, 206.644531 MB of memory in use. ENERGY: 1652400 753.6144 2088.9083 1942.5861 122.5802 -206491.9459 17949.3831 0.0000 0.0000 34265.6967 -149369.1772 299.2509 -183634.8738 -149277.6501 298.5170 49.6792 81.9331 557861.1395 2.4168 2.1861 PRESSURE: 1652600 28.666 -117.658 -156.337 -117.658 77.6172 -82.975 -156.336 -82.9738 -64.3065 GPRESSURE: 1652600 100.7 -77.6439 -74.9663 -162.889 71.4716 -55.8996 -173.806 -87.5769 -28.2166 PRESSAVG: 1652600 -31.4117 -53.8088 36.6618 -53.8088 -25.9268 -63.7768 36.6618 -63.7767 45.3374 GPRESSAVG: 1652600 -31.0107 -53.9042 34.5142 -55.1936 -25.1295 -61.5191 36.8631 -64.3855 43.3363 TIMING: 1652600 CPU: 4799.18, 0.00290768/step Wall: 4799.18, 0.00290768/step, 2.70366 hours remaining, 207.214844 MB of memory in use. ENERGY: 1652600 734.9555 2016.6483 1966.5281 126.0401 -206432.8507 18066.9636 0.0000 0.0000 34154.7085 -149367.0067 298.2816 -183521.7152 -149263.7880 298.9560 13.9922 47.9849 558356.6546 -4.0004 -4.2680 PRESSURE: 1652800 -84.2141 161.443 60.8678 161.443 59.8266 -75.0253 60.8667 -75.0249 -221.244 GPRESSURE: 1652800 -79.8786 178.1 37.5045 126.421 67.6255 -96.3813 84.1681 -57.7231 -127.931 PRESSAVG: 1652800 20.8483 35.3927 2.30343 35.3927 -2.33195 55.0187 2.30345 55.0187 21.8948 GPRESSAVG: 1652800 20.9015 35.6022 1.98375 36.119 -2.68618 51.5422 1.2164 55.4677 22.4299 TIMING: 1652800 CPU: 4799.76, 0.00292469/step Wall: 4799.76, 0.00292469/step, 2.71932 hours remaining, 207.214844 MB of memory in use. ENERGY: 1652800 699.3638 2105.4893 1970.8748 114.3830 -206033.7399 17676.3400 0.0000 0.0000 34147.2470 -149320.0420 298.2164 -183467.2890 -149220.5302 298.5551 -81.8772 -46.7281 559445.3239 13.4704 13.5484 PRESSURE: 1653000 -51.8924 -208.237 30.943 -208.237 137.826 -79.8171 30.9423 -79.8166 180.952 GPRESSURE: 1653000 -2.66475 -113.622 -131.864 -143.488 164.697 -67.7643 120.263 -121.002 201.198 PRESSAVG: 1653000 29.6354 9.03718 36.7972 9.03723 -17.1324 -66.4324 36.7973 -66.4324 -14.1276 GPRESSAVG: 1653000 30.3246 9.20609 36.5275 8.81084 -16.6702 -65.5822 38.7797 -66.5127 -14.5427 TIMING: 1653000 CPU: 4800.34, 0.00290948/step Wall: 4800.34, 0.00290948/step, 2.70501 hours remaining, 207.214844 MB of memory in use. ENERGY: 1653000 730.2724 2113.2283 1966.0126 115.9118 -206641.3320 18071.1042 0.0000 0.0000 34175.1070 -149469.6958 298.4597 -183644.8028 -149378.4638 298.5456 88.9619 121.0767 557891.9139 -0.5415 -0.2961 PRESSURE: 1653200 27.0945 147.95 25.7179 147.95 -203.4 18.0318 25.7192 18.0298 -80.0593 GPRESSURE: 1653200 37.1889 166.167 -1.61653 95.7406 -137.773 -19.4791 37.1327 1.91602 -52.7413 PRESSAVG: 1653200 27.7051 26.5337 -39.8629 26.5338 -56.5461 -7.32473 -39.8629 -7.3247 32.7636 GPRESSAVG: 1653200 26.727 25.9433 -39.6482 26.1068 -57.0593 -6.08214 -40.4707 -8.85006 34.1822 TIMING: 1653200 CPU: 4800.93, 0.00290509/step Wall: 4800.93, 0.00290509/step, 2.70077 hours remaining, 207.214844 MB of memory in use. ENERGY: 1653200 723.1262 2029.3871 1942.6334 101.6354 -206125.8250 17805.2539 0.0000 0.0000 34118.6555 -149405.1336 297.9667 -183523.7890 -149305.3187 297.8566 -85.4551 -51.1084 557659.3357 1.3075 1.2833 PRESSURE: 1653400 189.815 -66.3046 16.947 -66.3058 -145.582 -58.3794 16.9462 -58.3795 -179.824 GPRESSURE: 1653400 190.477 -103.318 26.5759 0.460138 -62.1504 -81.0489 -95.9233 -0.753184 -178.046 PRESSAVG: 1653400 57.2663 42.4459 7.64463 42.4459 -54.4885 40.8523 7.64474 40.8522 -13.0565 GPRESSAVG: 1653400 58.1981 42.486 8.42795 44.528 -55.5157 42.575 6.44359 40.4957 -13.0339 TIMING: 1653400 CPU: 4801.51, 0.00290935/step Wall: 4801.51, 0.00290935/step, 2.70456 hours remaining, 207.214844 MB of memory in use. ENERGY: 1653400 764.8577 2101.7696 1952.6240 109.2872 -206280.9178 17837.9288 0.0000 0.0000 34151.1438 -149363.3066 298.2504 -183514.4504 -149270.7606 298.4935 -45.1973 -16.5734 558236.1332 -3.4263 -3.4505 PRESSURE: 1653600 -307.131 46.9208 141.447 46.9193 -207.967 -46.4068 141.448 -46.4058 -55.74 GPRESSURE: 1653600 -214.106 110.472 191.871 16.1326 -197.229 -73.8693 125.854 -90.7775 -66.5197 PRESSAVG: 1653600 56.5067 14.3036 15.8932 14.3036 -115.576 -46.0161 15.8932 -46.0162 16.6544 GPRESSAVG: 1653600 56.2186 15.6264 17.939 12.0696 -116.094 -48.5379 14.9165 -44.9941 16.716 TIMING: 1653600 CPU: 4802.09, 0.00290964/step Wall: 4802.09, 0.00290964/step, 2.70467 hours remaining, 207.214844 MB of memory in use. ENERGY: 1653600 763.7601 2060.9442 1941.5701 103.5126 -206159.5610 17726.9939 0.0000 0.0000 33943.1706 -149619.6095 296.4342 -183562.7801 -149521.7228 298.0724 -190.2790 -159.2849 559011.2524 -14.1382 -14.3863 PRESSURE: 1653800 -103.565 48.4969 50.9454 48.4966 -127.076 -68.9058 50.946 -68.9055 -8.45068 GPRESSURE: 1653800 -90.6375 59.5144 -55.0681 16.2087 -67.0276 -91.9019 80.8426 -17.2168 -6.88291 PRESSAVG: 1653800 23.0615 38.6264 107.478 38.6263 16.3098 -8.69931 107.478 -8.69929 10.8509 GPRESSAVG: 1653800 22.7592 37.6271 105.13 37.9579 18.1911 -7.93751 108.533 -8.13916 9.28007 TIMING: 1653800 CPU: 4802.67, 0.00288567/step Wall: 4802.67, 0.00288567/step, 2.68223 hours remaining, 207.277344 MB of memory in use. ENERGY: 1653800 783.2133 2061.6434 1965.3972 107.3313 -206335.2056 17842.6389 0.0000 0.0000 33902.2140 -149672.7675 296.0765 -183574.9815 -149568.6808 297.4330 -79.6970 -54.8493 558012.6200 16.7407 16.7435 PRESSURE: 1654000 -269.433 84.1721 141.459 84.1718 -178.746 33.8483 141.459 33.8496 -216.89 GPRESSURE: 1654000 -249.033 49.107 140.441 -23.0543 -167.762 -12.4676 142.048 -8.21533 -146.359 PRESSAVG: 1654000 -82.4485 21.2701 26.248 21.2702 -13.5693 -17.3509 26.2479 -17.3508 104.272 GPRESSAVG: 1654000 -82.2033 22.5606 23.1895 23.7457 -14.8086 -17.9559 28.4319 -17.1827 105.214 TIMING: 1654000 CPU: 4803.25, 0.00290792/step Wall: 4803.25, 0.00290792/step, 2.70275 hours remaining, 207.277344 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: 1654000 720.8738 2043.8953 1977.2692 115.2851 -206341.5852 17740.2515 0.0000 0.0000 34176.0116 -149567.9987 298.4676 -183744.0103 -149469.0226 297.7211 -221.6896 -187.7178 559913.2379 2.7514 2.7340 PRESSURE: 1654200 -186.882 177.341 25.7905 177.341 25.3019 148.003 25.7905 148.004 -139.876 GPRESSURE: 1654200 -148.978 67.4793 47.2704 284.11 24.4851 124.891 25.5049 69.7672 -86.3616 PRESSAVG: 1654200 -66.6102 75.8574 30.9932 75.8574 -20.5277 -56.0328 30.9931 -56.0327 22.4389 GPRESSAVG: 1654200 -65.7075 73.9501 33.5856 77.0922 -21.7936 -55.8321 28.859 -56.7711 22.6844 TIMING: 1654200 CPU: 4803.83, 0.00292204/step Wall: 4803.83, 0.00292204/step, 2.71571 hours remaining, 207.285156 MB of memory in use. ENERGY: 1654200 762.5008 2055.3089 1958.0409 102.1683 -206182.3651 17763.6125 0.0000 0.0000 34005.5043 -149535.2294 296.9785 -183540.7337 -149441.8226 297.2470 -100.4852 -70.2847 558364.0657 -21.5664 -21.6056 PRESSURE: 1654400 231.443 132.829 -63.8293 132.827 204.019 -78.0035 -63.8296 -78.0028 -37.4324 GPRESSURE: 1654400 248.841 181.581 -5.89381 163.276 230.504 -84.5449 -31.2498 -29.4005 10.5939 PRESSAVG: 1654400 22.7752 14.5944 19.3949 14.5944 14.731 -47.7558 19.3949 -47.7556 -9.88197 GPRESSAVG: 1654400 21.5689 16.6897 18.6183 12.4642 15.948 -46.8342 20.3406 -47.3581 -9.60635 TIMING: 1654400 CPU: 4804.41, 0.00290101/step Wall: 4804.41, 0.00290101/step, 2.69601 hours remaining, 207.285156 MB of memory in use. ENERGY: 1654400 691.8171 2072.1729 1955.2901 111.9063 -206648.3400 18012.1462 0.0000 0.0000 34323.8625 -149481.1449 299.7588 -183805.0074 -149381.4251 298.3242 132.6767 163.3129 557346.5714 9.2081 9.3035 PRESSURE: 1654600 -23.3154 91.238 -57.9712 91.2381 -146.58 37.7889 -57.9709 37.788 -280.678 GPRESSURE: 1654600 29.7037 13.2976 26.1667 17.0287 -104.991 -9.12581 11.817 61.2774 -278.986 PRESSAVG: 1654600 75.6123 64.7497 -21.1727 64.7497 -58.9375 9.33625 -21.1728 9.33627 8.95441 GPRESSAVG: 1654600 75.5954 65.0089 -21.7526 66.2107 -59.7533 7.05596 -21.0168 10.6958 9.22977 TIMING: 1654600 CPU: 4805, 0.00292639/step Wall: 4805, 0.00292639/step, 2.71943 hours remaining, 207.285156 MB of memory in use. ENERGY: 1654600 775.1798 2104.7295 1954.9965 108.9400 -206179.1285 17707.1699 0.0000 0.0000 34205.9662 -149322.1466 298.7292 -183528.1129 -149225.9980 298.4132 -150.1912 -118.0912 558294.2035 8.5431 8.3573 PRESSURE: 1654800 -320.08 -62.9102 16.5681 -62.911 -100.114 74.4112 16.5685 74.4117 -299.973 GPRESSURE: 1654800 -230.333 -16.7176 92.2907 -150.329 -98.0493 166.105 -19.8179 -0.282614 -293.391 PRESSAVG: 1654800 26.4366 -1.79194 41.8106 -1.79204 -11.1891 19.1252 41.8106 19.1252 -15.2546 GPRESSAVG: 1654800 27.1241 -1.24938 43.2526 -4.47313 -11.0795 20.358 41.3286 20.4744 -15.8285 TIMING: 1654800 CPU: 4805.58, 0.00292019/step Wall: 4805.58, 0.00292019/step, 2.7135 hours remaining, 207.285156 MB of memory in use. ENERGY: 1654800 752.4038 2029.4355 1964.1465 113.5520 -206208.3205 17793.0239 0.0000 0.0000 34081.3669 -149474.3919 297.6411 -183555.7588 -149374.6026 298.6685 -240.0554 -207.2577 559720.8004 -0.0024 0.0720 PRESSURE: 1655000 -92.0828 47.3442 176.864 47.344 -15.8487 -115.139 176.865 -115.138 -112.726 GPRESSURE: 1655000 -93.4977 21.2411 142.829 41.396 -1.09448 -46.2237 170.997 -163.277 -35.8216 PRESSAVG: 1655000 22.1695 6.94195 24.9735 6.94197 34.8759 -4.31754 24.9735 -4.31752 -27.7989 GPRESSAVG: 1655000 20.7109 5.40706 24.1565 9.41606 35.1409 -3.49804 23.6251 -6.24234 -26.589 TIMING: 1655000 CPU: 4806.16, 0.00290895/step Wall: 4806.16, 0.00290895/step, 2.7029 hours remaining, 207.285156 MB of memory in use. ENERGY: 1655000 718.0125 2137.4116 1950.2299 103.6286 -206249.2448 17691.6670 0.0000 0.0000 34145.6839 -149502.6112 298.2028 -183648.2951 -149402.8204 298.5089 -73.5524 -43.4713 557997.0973 9.7488 9.7543 PRESSURE: 1655200 -233.33 195.079 -31.8472 195.077 -8.7102 15.0165 -31.8485 15.0184 -15.1778 GPRESSURE: 1655200 -149.789 158.198 -68.9237 223.991 9.11089 -55.0455 -1.51312 20.182 -20.0073 PRESSAVG: 1655200 -46.6225 -3.88382 -11.0037 -3.88389 10.374 -49.5346 -11.0039 -49.5345 14.4878 GPRESSAVG: 1655200 -45.1742 -2.19488 -9.91617 -6.00982 10.642 -49.6292 -10.7185 -49.2492 12.9663 TIMING: 1655200 CPU: 4806.75, 0.00290978/step Wall: 4806.75, 0.00290978/step, 2.70351 hours remaining, 207.285156 MB of memory in use. ENERGY: 1655200 738.9029 2155.5422 1953.7076 113.0640 -206425.3210 17843.4370 0.0000 0.0000 34187.7104 -149432.9569 298.5698 -183620.6674 -149346.6023 298.6193 -85.7395 -53.5618 557183.5462 -7.2536 -7.1886 PRESSURE: 1655400 -420.286 19.0873 58.4759 19.0885 30.7931 71.5592 58.4745 71.5598 73.7527 GPRESSURE: 1655400 -394.272 52.9161 107.128 73.2878 37.7967 118.026 22.1086 40.5351 139.195 PRESSAVG: 1655400 -61.447 -25.9404 8.00942 -25.9404 52.212 29.3308 8.00941 29.3308 2.67487 GPRESSAVG: 1655400 -62.0924 -26.641 8.00527 -23.3034 52.095 28.1157 7.61539 30.5759 3.59933 TIMING: 1655400 CPU: 4807.32, 0.00289032/step Wall: 4807.32, 0.00289032/step, 2.68527 hours remaining, 207.285156 MB of memory in use. ENERGY: 1655400 767.8645 2108.6273 1953.5320 115.9764 -206258.4235 17694.1445 0.0000 0.0000 34183.4669 -149434.8118 298.5327 -183618.2788 -149340.2182 298.7492 -105.2469 -72.4267 557928.1130 -2.1867 -2.1327 PRESSURE: 1655600 53.8648 77.1219 -106.607 77.1224 5.28959 -16.5512 -106.606 -16.5496 99.0966 GPRESSURE: 1655600 73.1077 -29.4609 -143.522 66.9306 50.2207 -187.551 -149.219 39.1613 142.939 PRESSAVG: 1655600 -31.4305 -14.5498 -3.48888 -14.5497 -32.7358 -19.9647 -3.48894 -19.9648 70.3038 GPRESSAVG: 1655600 -31.4985 -16.4865 -3.06388 -14.1279 -32.8983 -21.2146 -2.11311 -21.095 70.2849 TIMING: 1655600 CPU: 4807.9, 0.00288913/step Wall: 4807.9, 0.00288913/step, 2.684 hours remaining, 207.285156 MB of memory in use. ENERGY: 1655600 751.7086 2068.1535 1971.9074 113.4057 -206621.8837 18115.1991 0.0000 0.0000 34136.8064 -149464.7031 298.1252 -183601.5095 -149369.9656 297.9695 52.7503 88.7557 556833.2559 2.0458 1.9627 PRESSURE: 1655800 -95.2222 61.5036 -60.3596 61.5044 50.2164 -116.816 -60.3611 -116.817 15.0133 GPRESSURE: 1655800 -33.9909 124.583 -59.6704 62.0781 83.1895 -136.683 -67.6681 -106.069 17.3133 PRESSAVG: 1655800 -13.1108 -37.204 0.538326 -37.2039 -33.774 -86.8579 0.538301 -86.8581 41.0728 GPRESSAVG: 1655800 -13.0577 -35.7708 1.88323 -37.7661 -33.5514 -83.6898 -0.0688271 -86.6593 40.9592 TIMING: 1655800 CPU: 4808.48, 0.00286843/step Wall: 4808.48, 0.00286843/step, 2.66461 hours remaining, 207.285156 MB of memory in use. ENERGY: 1655800 734.9158 2080.7017 1961.0692 109.8306 -206569.3940 17890.3125 0.0000 0.0000 34358.1252 -149434.4390 300.0581 -183792.5642 -149329.5395 298.6887 -9.9975 22.1706 555928.9226 -1.9373 -1.8833 PRESSURE: 1656000 27.2354 -9.64245 -144.456 -9.64232 -65.6539 138.803 -144.456 138.802 -79.3224 GPRESSURE: 1656000 33.1174 -56.4499 -98.3023 26.7152 23.9625 142.445 -121.578 109.991 -87.3623 PRESSAVG: 1656000 39.7742 0.871783 24.9867 0.871757 -7.4179 -31.3775 24.9868 -31.3776 23.8091 GPRESSAVG: 1656000 40.8016 0.202812 23.2808 0.245383 -7.65774 -33.3848 25.9634 -31.0725 22.548 TIMING: 1656000 CPU: 4809.05, 0.00288023/step Wall: 4809.05, 0.00288023/step, 2.67542 hours remaining, 207.285156 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: 1656000 749.5502 2102.6261 1924.1072 118.1779 -206365.9093 17896.9675 0.0000 0.0000 33912.6299 -149661.8506 296.1674 -183574.4805 -149572.0391 297.5243 -39.2470 -10.0941 558194.8972 18.7218 18.5639 PRESSURE: 1656200 66.7141 -99.484 -39.8802 -99.4862 -24.7554 -266.268 -39.8804 -266.268 5.44372 GPRESSURE: 1656200 124.959 -37.2807 32.6825 -14.9937 -11.1023 -220.277 -73.6867 -285.672 31.218 PRESSAVG: 1656200 2.28059 -27.6388 48.8421 -27.6387 49.0505 -76.9846 48.8422 -76.9845 -62.404 GPRESSAVG: 1656200 0.127526 -28.5867 50.5536 -27.805 49.674 -76.2834 46.547 -78.0167 -61.1542 TIMING: 1656200 CPU: 4809.62, 0.00286813/step Wall: 4809.62, 0.00286813/step, 2.66402 hours remaining, 207.285156 MB of memory in use. ENERGY: 1656200 776.8788 2076.5665 1956.8340 106.7831 -206755.0918 18050.0387 0.0000 0.0000 34310.4137 -149477.5769 299.6414 -183787.9907 -149383.4041 297.4644 15.8008 48.3583 556485.4265 -3.6910 -3.7842 LDB: ============= START OF LOAD BALANCING ============== 4813.09 LDB: ============== END OF LOAD BALANCING =============== 4813.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4813.09 LDB: ============= START OF LOAD BALANCING ============== 4813.38 LDB: Largest compute 4821 load 0.028116 is 23.9% of average load 0.117663 LDB: Average compute 0.001712 is 1.5% of average load 0.117663 LDB: TIME 4813.38 LOAD: AVG 0.117663 MAX 0.176475 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.84 MB LDB: TIME 4813.38 LOAD: AVG 0.117663 MAX 0.176475 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.043 MB LDB: TIME 4813.38 LOAD: AVG 0.117663 MAX 0.176475 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4813.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4813.39 PRESSURE: 1656400 -109.787 -86.1848 22.634 -86.1847 -113.99 -29.3597 22.6352 -29.359 -135.216 GPRESSURE: 1656400 -35.7733 -77.4892 5.90628 -149.179 -147.086 -113.133 82.1664 -1.64299 -69.6095 PRESSAVG: 1656400 68.4492 -14.0676 4.20189 -14.0675 -44.8522 -29.7971 4.20201 -29.7971 0.426887 GPRESSAVG: 1656400 70.1116 -13.5334 2.12792 -14.7573 -45.216 -29.2156 5.57646 -30.9396 -0.694382 TIMING: 1656400 CPU: 4810.21, 0.00293676/step Wall: 4810.21, 0.00293676/step, 2.7276 hours remaining, 204.343750 MB of memory in use. ENERGY: 1656400 748.2497 2138.9500 1926.7321 114.0314 -206301.6037 17752.7293 0.0000 0.0000 34343.5017 -149277.4095 299.9303 -183620.9112 -149188.7625 298.4089 -119.6644 -84.1562 558881.2009 8.0080 8.0671 PRESSURE: 1656600 -235.359 -5.26936 -71.3695 -5.269 -193.836 -33.4141 -71.3687 -33.4131 202.96 GPRESSURE: 1656600 -221.045 -2.72379 -89.901 10.472 -142.176 -107.83 -78.1771 -1.33262 240.362 PRESSAVG: 1656600 26.5879 34.7926 -28.9877 34.7927 9.37631 0.97477 -28.9877 0.974789 -22.7153 GPRESSAVG: 1656600 25.6288 36.2508 -29.946 32.9457 8.96251 -0.802927 -28.5383 4.67596 -21.3675 TIMING: 1656600 CPU: 4810.79, 0.00288511/step Wall: 4810.79, 0.00288511/step, 2.67946 hours remaining, 204.613281 MB of memory in use. ENERGY: 1656600 790.9069 2149.4775 1947.5035 106.1713 -206178.8000 17816.3439 0.0000 0.0000 34162.7761 -149205.6206 298.3520 -183368.3968 -149115.8055 299.0738 -75.4116 -40.9530 557371.2888 4.4163 4.4080 PRESSURE: 1656800 -86.1122 -113.042 100.596 -113.042 -284.617 91.0139 100.596 91.0135 -174.367 GPRESSURE: 1656800 -109.877 6.75637 34.06 -103.672 -173.71 95.8789 176.426 37.2686 -151.974 PRESSAVG: 1656800 3.68677 -1.52034 26.3231 -1.52035 -64.3015 -37.4897 26.3231 -37.4897 32.0039 GPRESSAVG: 1656800 3.37558 -0.0529767 26.7927 -2.65979 -63.0287 -36.4722 27.3486 -40.047 30.6353 TIMING: 1656800 CPU: 4811.36, 0.00287172/step Wall: 4811.36, 0.00287172/step, 2.66687 hours remaining, 204.613281 MB of memory in use. ENERGY: 1656800 715.6293 2135.7629 1937.2300 130.9962 -205943.5232 17339.2398 0.0000 0.0000 34417.6098 -149267.0552 300.5775 -183684.6650 -149178.7993 298.6613 -181.6987 -145.1872 555583.4998 -9.5369 -9.6726 PRESSURE: 1657000 178.619 194.725 -97.3055 194.727 27.6709 42.5985 -97.3065 42.5997 289.59 GPRESSURE: 1657000 181.988 171.891 -70.5423 196.875 53.4695 -28.5033 -98.6387 53.0898 351.025 PRESSAVG: 1657000 93.5837 42.5453 5.33357 42.5453 -82.205 -11.6679 5.33358 -11.6678 22.3919 GPRESSAVG: 1657000 93.7814 41.7856 5.08556 44.5122 -82.6878 -12.6566 5.53764 -12.2731 22.4089 TIMING: 1657000 CPU: 4811.94, 0.00289429/step Wall: 4811.94, 0.00289428/step, 2.68767 hours remaining, 204.613281 MB of memory in use. ENERGY: 1657000 722.4091 2096.2234 1956.2700 107.2892 -206316.8657 17885.2537 0.0000 0.0000 34337.0573 -149212.3631 299.8741 -183549.4203 -149120.7345 299.4364 165.2933 195.4944 556421.1414 11.2569 11.1675 PRESSURE: 1657200 85.5807 -4.0802 2.27538 -4.08085 -125.126 -81.0005 2.27529 -81.0002 -59.4034 GPRESSURE: 1657200 59.7577 20.3487 -18.4893 12.844 -84.5585 -92.5186 27.7506 -127.934 21.8964 PRESSAVG: 1657200 66.6673 3.16355 73.6572 3.16347 -53.9138 -8.2944 73.6572 -8.2944 15.0793 GPRESSAVG: 1657200 67.3787 1.55292 74.89 6.05267 -54.3958 -7.75787 71.5162 -6.49022 14.6271 TIMING: 1657200 CPU: 4812.52, 0.0029042/step Wall: 4812.52, 0.0029042/step, 2.69671 hours remaining, 204.613281 MB of memory in use. ENERGY: 1657200 705.0384 2086.0544 1941.8892 97.0499 -205769.8110 17575.2694 0.0000 0.0000 34154.9243 -149209.5853 298.2834 -183364.5096 -149111.8403 298.8352 -32.9828 -0.9682 557048.8515 9.2776 9.2033 PRESSURE: 1657400 -155.882 5.38103 -18.3589 5.38183 231.513 36.1072 -18.3598 36.1085 42.2428 GPRESSURE: 1657400 -115.607 25.8027 -47.9925 -51.0112 252.957 122.589 -72.1117 -9.20802 85.0589 PRESSAVG: 1657400 -6.24897 -40.2655 -54.9334 -40.2656 53.6668 -62.9562 -54.9333 -62.9562 -29.6583 GPRESSAVG: 1657400 -7.30781 -38.7133 -53.8285 -41.7525 53.4068 -61.7701 -53.2262 -64.0552 -28.3944 TIMING: 1657400 CPU: 4813.1, 0.00286119/step Wall: 4813.1, 0.00286119/step, 2.65662 hours remaining, 204.613281 MB of memory in use. ENERGY: 1657400 741.4502 2146.0690 1966.1014 124.7663 -206115.8041 17772.1413 0.0000 0.0000 34320.6806 -149044.5953 299.7310 -183365.2759 -148950.7436 299.6155 39.2913 74.1361 556513.4907 5.9198 5.9015 PRESSURE: 1657600 73.7444 34.2777 48.9828 34.2759 141.542 -24.3932 48.9839 -24.394 -47.5106 GPRESSURE: 1657600 80.6588 1.79252 105.026 -32.5616 181.215 90.9241 12.2647 -63.6265 3.52775 PRESSAVG: 1657600 -27.381 42.661 -4.8207 42.6609 -32.2559 5.35418 -4.82069 5.35421 38.9467 GPRESSAVG: 1657600 -26.2255 42.1173 -5.8994 42.6567 -31.8265 6.08122 -5.19224 5.95182 37.9901 TIMING: 1657600 CPU: 4813.67, 0.00288212/step Wall: 4813.67, 0.00288212/step, 2.67589 hours remaining, 204.613281 MB of memory in use. ENERGY: 1657600 718.8798 2139.3744 1973.6088 115.9125 -206236.7197 17977.1386 0.0000 0.0000 34528.7665 -148783.0392 301.5483 -183311.8057 -148693.2435 299.6056 55.9253 88.4671 556848.3423 -6.8967 -6.6873 PRESSURE: 1657800 -32.6869 -13.8403 175.302 -13.841 233.113 85.9758 175.3 85.9778 46.5583 GPRESSURE: 1657800 -13.0245 -7.6549 165.552 52.4599 238.654 49.7228 153.847 204.378 115.057 PRESSAVG: 1657800 18.4502 -17.4933 80.2018 -17.4933 7.69868 47.0472 80.2019 47.0472 -25.1318 GPRESSAVG: 1657800 17.9991 -18.0053 79.6352 -17.6898 8.3989 45.2266 80.0157 48.0713 -25.3553 TIMING: 1657800 CPU: 4814.25, 0.00288632/step Wall: 4814.25, 0.00288632/step, 2.67963 hours remaining, 204.613281 MB of memory in use. ENERGY: 1657800 724.6052 2120.2055 1953.3125 112.7508 -206040.2278 17780.2368 0.0000 0.0000 34492.4898 -148856.6271 301.2315 -183349.1169 -148767.5593 300.3336 82.3281 113.5621 556989.9399 0.3390 0.3476 PRESSURE: 1658000 -57.6368 131.39 -35.9058 131.389 19.7958 15.5592 -35.906 15.5604 130.665 GPRESSURE: 1658000 27.6618 65.0143 -14.485 232.069 36.9474 -64.1714 -23.112 84.8917 122.713 PRESSAVG: 1658000 -9.13073 15.4734 130.453 15.4734 10.8915 42.5729 130.453 42.5728 -12.6748 GPRESSAVG: 1658000 -9.17812 16.8383 128.409 13.4721 9.58889 40.5991 130.661 42.8666 -11.0673 TIMING: 1658000 CPU: 4814.83, 0.0028986/step Wall: 4814.83, 0.0028986/step, 2.69087 hours remaining, 204.613281 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: 1658000 766.2912 2124.5055 1967.4204 114.5782 -206149.3287 17864.7632 0.0000 0.0000 34480.9509 -148830.8194 301.1307 -183311.7703 -148740.2954 300.5849 30.9411 62.4408 558108.3315 -3.6380 -3.5522 PRESSURE: 1658200 37.6189 -140.2 -22.7162 -140.2 -148.529 53.7628 -22.7149 53.763 66.2534 GPRESSURE: 1658200 93.6156 -173.509 44.8896 -193.067 -90.1071 39.6431 -67.2906 70.7739 51.4687 PRESSAVG: 1658200 80.4005 7.95001 46.275 7.94996 -28.1003 -8.38656 46.2751 -8.38642 -40.6679 GPRESSAVG: 1658200 79.4852 5.99731 47.8351 7.70507 -27.0683 -6.62265 46.2609 -7.85372 -40.8994 TIMING: 1658200 CPU: 4815.41, 0.0029135/step Wall: 4815.41, 0.0029135/step, 2.70454 hours remaining, 204.613281 MB of memory in use. ENERGY: 1658200 744.8598 2094.2744 1970.4218 108.9801 -206276.8440 17839.1416 0.0000 0.0000 34328.1805 -149190.9858 299.7965 -183519.1663 -149097.1830 300.5771 -14.8854 18.3257 557786.4939 3.8774 3.8392 PRESSURE: 1658400 -238.475 -181.211 147.261 -181.212 -5.12013 -65.1881 147.261 -65.1886 -206.639 GPRESSURE: 1658400 -181.63 -147.425 143.18 -175.069 17.8692 -35.1061 178.418 -106.917 -188.892 PRESSAVG: 1658400 27.9248 -71.9356 44.7262 -71.9355 -58.4988 26.5742 44.7263 26.5742 46.8631 GPRESSAVG: 1658400 29.3137 -72.2207 44.3113 -70.2612 -59.5111 29.2075 44.8349 24.8185 46.7029 TIMING: 1658400 CPU: 4815.99, 0.00288466/step Wall: 4815.99, 0.00288466/step, 2.67761 hours remaining, 204.613281 MB of memory in use. ENERGY: 1658400 742.5329 2070.4966 1969.6552 121.2269 -205884.1204 17695.8371 0.0000 0.0000 34165.6534 -149118.7183 298.3771 -183284.3718 -149027.0785 299.4861 -150.0779 -117.5508 558958.8546 5.4297 5.5018 PRESSURE: 1658600 119.276 -32.6832 -32.316 -32.6838 -108.536 -136.329 -32.3154 -136.329 -66.4116 GPRESSURE: 1658600 90.0002 45.519 -101.562 -80.7309 -54.1243 -48.634 1.94638 -177.056 13.3346 PRESSAVG: 1658600 46.399 32.2897 -7.32033 32.2897 -9.36743 23.8701 -7.32033 23.87 -30.9535 GPRESSAVG: 1658600 46.6796 30.9508 -7.31225 31.3159 -9.36636 23.706 -6.43021 24.7421 -30.8843 TIMING: 1658600 CPU: 4816.56, 0.00287817/step Wall: 4816.56, 0.00287817/step, 2.67142 hours remaining, 204.613281 MB of memory in use. ENERGY: 1658600 759.0193 2115.4069 1961.7561 117.9041 -206279.5451 17909.7314 0.0000 0.0000 34250.9837 -149164.7438 299.1224 -183415.7274 -149066.3458 299.6480 -18.5572 16.4035 558627.0825 2.0260 2.1430 PRESSURE: 1658800 -286.631 -137.429 -199.259 -137.429 -316.213 86.2877 -199.261 86.2869 95.2485 GPRESSURE: 1658800 -234.402 -142.589 -302.996 -138.258 -282.252 68.8874 -101.927 78.1177 100.404 PRESSAVG: 1658800 25.6957 -3.69764 6.98584 -3.69776 -28.4153 8.61274 6.98586 8.6127 20.2027 GPRESSAVG: 1658800 25.922 -1.77042 8.62559 -2.50056 -28.0229 6.83692 7.33694 7.75104 19.8673 TIMING: 1658800 CPU: 4817.14, 0.00286616/step Wall: 4817.14, 0.00286616/step, 2.66012 hours remaining, 204.613281 MB of memory in use. ENERGY: 1658800 749.4677 2125.6576 1940.0863 125.2763 -205730.9459 17520.3782 0.0000 0.0000 34281.2764 -148988.8034 299.3869 -183270.0798 -148888.4051 299.6624 -169.1987 -138.7501 559124.8513 5.8277 5.9221 PRESSURE: 1659000 -38.9808 79.147 200.424 79.1477 -244.562 -87.6283 200.424 -87.6291 149.175 GPRESSURE: 1659000 25.0929 101.328 139.284 30.1526 -274.725 75.7798 174.122 -172.024 219.257 PRESSAVG: 1659000 -56.3535 23.5795 7.90224 23.5795 -60.9799 2.52726 7.9022 2.52722 92.0885 GPRESSAVG: 1659000 -55.5042 21.8187 6.53162 24.6026 -61.3144 4.61865 6.29817 0.686818 91.4049 TIMING: 1659000 CPU: 4817.72, 0.00289146/step Wall: 4817.72, 0.00289146/step, 2.68344 hours remaining, 204.613281 MB of memory in use. ENERGY: 1659000 745.8361 2072.9539 1967.3215 112.4996 -206092.6231 17708.0643 0.0000 0.0000 34617.8440 -148868.1036 302.3262 -183485.9477 -148781.4135 299.8628 -44.7892 -10.1250 557860.1713 -8.4149 -8.4712 PRESSURE: 1659200 22.3599 -121.606 135.533 -121.605 118.782 20.1279 135.533 20.1256 113.053 GPRESSURE: 1659200 98.8866 -133.037 52.4072 -85.4227 88.465 -21.7945 156.576 25.0095 162.998 PRESSAVG: 1659200 74.819 1.03784 -18.8711 1.03783 -46.7734 -45.3567 -18.871 -45.3567 5.60976 GPRESSAVG: 1659200 74.3154 2.04935 -20.6294 0.683528 -47.3615 -46.8791 -19.2994 -42.7517 6.79378 TIMING: 1659200 CPU: 4818.3, 0.0029124/step Wall: 4818.3, 0.0029124/step, 2.70271 hours remaining, 204.613281 MB of memory in use. ENERGY: 1659200 752.1119 2102.8077 1941.9987 111.0435 -205908.9768 17703.1931 0.0000 0.0000 34414.1525 -148883.6694 300.5474 -183297.8219 -148783.8583 299.8741 84.7318 116.7834 556384.1772 11.2185 11.2492 PRESSURE: 1659400 416.817 -152.005 -70.2826 -152.006 -1.2978 92.3625 -70.282 92.3618 157.609 GPRESSURE: 1659400 390.189 -79.8571 -38.2066 -162.733 42.8453 192.077 -34.4941 111.693 227.224 PRESSAVG: 1659400 41.4627 -19.7777 -14.489 -19.7776 0.112756 25.1959 -14.489 25.1959 -2.19478 GPRESSAVG: 1659400 40.9768 -19.0841 -11.8894 -19.5606 1.50879 26.4305 -12.4289 23.8194 -3.17138 TIMING: 1659400 CPU: 4818.87, 0.00287473/step Wall: 4818.87, 0.00287473/step, 2.66759 hours remaining, 204.613281 MB of memory in use. ENERGY: 1659400 727.0230 2093.5543 1951.3142 118.6980 -206234.6408 18039.7855 0.0000 0.0000 34376.3507 -148927.9151 300.2172 -183304.2658 -148827.9305 300.3585 191.0429 220.0862 556312.1634 13.1269 13.1048 PRESSURE: 1659600 24.5683 79.8773 -90.5214 79.8783 -109.299 39.9051 -90.5217 39.9037 -83.4833 GPRESSURE: 1659600 28.7328 127.998 -88.6833 53.6272 -75.0841 128.888 -162.251 -27.2114 -29.559 PRESSAVG: 1659600 59.8962 14.8336 -2.93659 14.8336 -68.0773 -47.9335 -2.93668 -47.9336 -3.44333 GPRESSAVG: 1659600 60.3943 13.3176 -3.35978 12.297 -67.8408 -48.0521 -3.17574 -47.3996 -3.43957 TIMING: 1659600 CPU: 4819.45, 0.00288537/step Wall: 4819.45, 0.00288537/step, 2.67731 hours remaining, 204.613281 MB of memory in use. ENERGY: 1659600 729.3638 2075.3850 1959.2902 109.8792 -205664.3703 17617.3455 0.0000 0.0000 34266.7283 -148906.3783 299.2599 -183173.1066 -148810.7465 299.9593 -56.0713 -25.3034 557945.1322 -3.8748 -3.6287 PRESSURE: 1659800 -231.907 85.3678 -254.64 85.3674 -234.896 -127.965 -254.639 -127.965 33.4036 GPRESSURE: 1659800 -181.665 123.815 -229.961 40.1006 -200.292 -142.205 -159.129 -81.1106 41.8481 PRESSAVG: 1659800 -38.1024 -26.6962 -6.81196 -26.6962 -25.9901 -13.3539 -6.8119 -13.3537 48.8369 GPRESSAVG: 1659800 -38.9896 -26.5584 -5.51776 -24.5974 -25.9425 -12.2169 -7.70881 -12.5698 49.9101 TIMING: 1659800 CPU: 4820.03, 0.00288344/step Wall: 4820.03, 0.00288344/step, 2.67535 hours remaining, 204.613281 MB of memory in use. ENERGY: 1659800 698.3452 2106.4575 1976.7504 110.4046 -205600.6735 17360.4007 0.0000 0.0000 34340.2395 -149008.0756 299.9019 -183348.3151 -148920.8258 299.8959 -144.4667 -113.3695 557899.4387 -5.0852 -5.0073 PRESSURE: 1660000 66.7642 -97.995 -39.8909 -97.9947 -38.7107 76.8305 -39.8897 76.8309 -49.4691 GPRESSURE: 1660000 37.1651 -85.9851 -86.7203 -98.8242 15.9325 76.566 -131.726 40.9614 14.0164 PRESSAVG: 1660000 16.4495 -26.081 -36.9849 -26.081 -12.8191 -6.40842 -36.9849 -6.40838 5.32762 GPRESSAVG: 1660000 17.5228 -25.1254 -39.6876 -26.5321 -13.4004 -7.53114 -36.3961 -8.01739 4.49643 TIMING: 1660000 CPU: 4820.6, 0.00288727/step Wall: 4820.6, 0.00288727/step, 2.67874 hours remaining, 204.613281 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: 1660000 736.9366 2072.2894 1967.0285 94.8748 -205997.6448 17738.7675 0.0000 0.0000 34378.3013 -149009.4469 300.2343 -183387.7482 -148907.7769 299.2476 -7.1385 22.3713 559292.3199 2.9860 2.8729 PRESSURE: 1660200 -158.922 -158.841 73.6078 -158.84 2.25344 -40.9298 73.6084 -40.9285 69.9977 GPRESSURE: 1660200 -64.7734 -68.4881 -2.58356 -258.21 -15.9663 25.0702 66.4396 -138.812 75.4395 PRESSAVG: 1660200 26.3449 6.26977 -6.27865 6.26983 -7.34781 -22.8237 -6.2788 -22.8238 -16.6137 GPRESSAVG: 1660200 25.8556 5.56865 -5.40334 6.68593 -7.10624 -22.8865 -8.1832 -19.6345 -15.5038 TIMING: 1660200 CPU: 4821.18, 0.00289445/step Wall: 4821.18, 0.00289445/step, 2.68525 hours remaining, 204.613281 MB of memory in use. ENERGY: 1660200 726.1800 2069.8782 1962.5401 105.1828 -206181.2590 17867.3924 0.0000 0.0000 34457.7082 -148992.3773 300.9277 -183450.0855 -148897.9941 300.3480 -28.8905 -1.7667 559330.8252 0.7944 1.0819 LDB: ============= START OF LOAD BALANCING ============== 4824.65 LDB: ============== END OF LOAD BALANCING =============== 4824.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4824.65 LDB: ============= START OF LOAD BALANCING ============== 4824.94 LDB: Largest compute 4821 load 0.026736 is 22.7% of average load 0.117738 LDB: Average compute 0.001711 is 1.5% of average load 0.117738 LDB: TIME 4824.94 LOAD: AVG 0.117738 MAX 0.181177 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.043 MB LDB: TIME 4824.94 LOAD: AVG 0.117738 MAX 0.181177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.102 MB LDB: TIME 4824.94 LOAD: AVG 0.117738 MAX 0.181177 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4824.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4824.95 PRESSURE: 1660400 -213.234 -27.5394 -19.4226 -27.5412 -59.0686 -31.8822 -19.4225 -31.8817 5.6615 GPRESSURE: 1660400 -140.998 -75.0788 34.9062 -26.6263 -33.5035 21.9127 8.66367 -6.85554 -0.395919 PRESSAVG: 1660400 -0.829304 -36.9511 34.7921 -36.9511 -18.8751 -16.6996 34.792 -16.6995 54.0691 GPRESSAVG: 1660400 -0.593025 -36.7634 34.4925 -36.0351 -17.76 -17.3744 35.4406 -19.2558 52.6164 TIMING: 1660400 CPU: 4821.77, 0.00295035/step Wall: 4821.77, 0.00295035/step, 2.73694 hours remaining, 204.082031 MB of memory in use. ENERGY: 1660400 760.5219 2056.7821 1980.7616 107.4867 -205781.1564 17557.6338 0.0000 0.0000 34348.0746 -148969.8956 299.9703 -183317.9702 -148881.3316 300.2058 -88.8802 -58.2990 557756.6069 11.4549 11.4211 PRESSURE: 1660600 -28.0483 64.6219 152.348 64.6233 -241.964 -50.8862 152.348 -50.8856 -179.42 GPRESSURE: 1660600 -50.57 97.1413 220.211 -6.44361 -220.59 -71.0965 157.567 -94.2516 -90.0832 PRESSAVG: 1660600 35.4157 -49.3934 -6.06599 -49.3936 -27.6671 -17.7124 -6.06595 -17.7124 -36.3788 GPRESSAVG: 1660600 34.7192 -49.2697 -4.45675 -50.2395 -28.4012 -18.1707 -5.40015 -17.5653 -35.4607 TIMING: 1660600 CPU: 4822.35, 0.0029031/step Wall: 4822.35, 0.0029031/step, 2.69295 hours remaining, 204.082031 MB of memory in use. ENERGY: 1660600 736.6706 2111.6666 1988.4453 103.5648 -206117.1640 17708.0737 0.0000 0.0000 34371.5561 -149097.1869 300.1753 -183468.7430 -149002.3981 299.7040 -149.8107 -120.4144 558262.3722 -9.5434 -9.7142 PRESSURE: 1660800 159.265 -6.58682 157.927 -6.58771 -42.1123 -124.865 157.926 -124.865 -160.883 GPRESSURE: 1660800 228.773 -40.644 195.408 23.8521 -26.5701 -126.101 115.91 -158.818 -143.126 PRESSAVG: 1660800 11.4641 -3.30066 69.1488 -3.30066 2.85171 -54.8996 69.1488 -54.8996 7.15266 GPRESSAVG: 1660800 12.5307 -3.93339 66.1075 -5.27955 2.57426 -55.9207 69.4284 -52.2832 6.42267 TIMING: 1660800 CPU: 4822.93, 0.00289937/step Wall: 4822.93, 0.00289937/step, 2.68932 hours remaining, 204.082031 MB of memory in use. ENERGY: 1660800 719.6757 2143.8050 1969.2499 110.1158 -206047.0749 17806.9896 0.0000 0.0000 34111.3624 -149185.8765 297.9030 -183297.2389 -149096.2716 299.8233 -14.5769 19.6925 560644.7551 7.1562 7.1759 PRESSURE: 1661000 40.6607 78.5356 159.958 78.5347 -101.437 -45.8968 159.955 -45.8985 -269.079 GPRESSURE: 1661000 58.8393 55.515 152.975 73.4502 -4.93814 -63.5289 194.966 -16.7353 -285 PRESSAVG: 1661000 69.0358 15.8997 17.7228 15.8997 -31.7714 22.3808 17.7229 22.3809 2.71969 GPRESSAVG: 1661000 69.008 17.4844 18.9094 15.2261 -31.7661 25.3248 16.432 19.2232 2.65024 TIMING: 1661000 CPU: 4823.51, 0.00289619/step Wall: 4823.51, 0.00289619/step, 2.68621 hours remaining, 204.082031 MB of memory in use. ENERGY: 1661000 748.4946 2164.4609 1941.6069 111.5302 -206304.3131 17826.7465 0.0000 0.0000 34392.4158 -149119.0583 300.3575 -183511.4741 -149016.6748 299.3516 -109.9516 -77.0328 557630.4795 13.3280 13.2974 PRESSURE: 1661200 102.627 102.896 -30.161 102.896 29.6783 -58.3277 -30.1603 -58.3293 -137.969 GPRESSURE: 1661200 81.1823 156.183 -41.7562 73.4299 50.6026 -52.204 -70.48 -89.5917 -51.2299 PRESSAVG: 1661200 -3.35864 9.03394 58.8344 9.03407 -81.6955 10.9601 58.8345 10.9602 17.9774 GPRESSAVG: 1661200 -3.35341 9.44038 59.7432 8.26294 -82.4832 10.8331 59.8278 11.2808 19.1539 TIMING: 1661200 CPU: 4824.09, 0.00290893/step Wall: 4824.09, 0.00290893/step, 2.69787 hours remaining, 204.148438 MB of memory in use. ENERGY: 1661200 732.0864 2112.8333 1975.8678 115.4053 -206297.0718 17899.6256 0.0000 0.0000 34335.9041 -149125.3492 299.8640 -183461.2534 -149025.3068 299.4964 -1.8879 26.8517 557278.2894 -22.3589 -22.2276 PRESSURE: 1661400 -140.433 -121.111 95.6337 -121.111 -20.6505 -95.7583 95.6329 -95.7582 13.1136 GPRESSURE: 1661400 -100.319 -77.0331 75.0068 -100.014 15.9708 -49.6348 35.7129 -146.907 41.1038 PRESSAVG: 1661400 22.24 -5.08785 27.4786 -5.08778 4.22368 40.0026 27.4787 40.0026 22.2644 GPRESSAVG: 1661400 22.3984 -6.92752 27.4259 -2.64811 5.54745 38.3558 26.3905 40.8831 21.2314 TIMING: 1661400 CPU: 4824.67, 0.00289411/step Wall: 4824.67, 0.00289411/step, 2.68397 hours remaining, 204.210938 MB of memory in use. ENERGY: 1661400 750.7017 2093.6032 1947.2819 119.9192 -205788.8863 17648.6183 0.0000 0.0000 34104.7266 -149124.0353 297.8451 -183228.7619 -149033.4689 299.7735 -49.3231 -14.4150 557291.8679 16.2427 16.3924 PRESSURE: 1661600 -23.0571 51.7133 50.7841 51.7153 -111.881 -46.6038 50.7854 -46.6026 -118.513 GPRESSURE: 1661600 -47.6358 48.5386 51.3655 78.9355 -69.4345 5.8768 105.022 -133.804 -37.9031 PRESSAVG: 1661600 -51.9582 1.64483 25.6426 1.64486 20.0335 5.60561 25.6426 5.60552 27.5279 GPRESSAVG: 1661600 -52.0157 2.67893 24.8655 0.887732 19.2041 5.27121 27.3608 4.57875 28.107 TIMING: 1661600 CPU: 4825.25, 0.00288448/step Wall: 4825.25, 0.00288448/step, 2.67488 hours remaining, 204.210938 MB of memory in use. ENERGY: 1661600 747.1797 2085.4815 1966.6240 112.8421 -206017.2332 17798.0829 0.0000 0.0000 34285.0911 -149021.9319 299.4202 -183307.0231 -148925.1822 300.0299 -84.4837 -51.6578 558954.9033 -1.4656 -1.5682 PRESSURE: 1661800 -118.609 125.445 52.3445 125.444 140.443 102.084 52.346 102.084 -410.642 GPRESSURE: 1661800 -55.627 112.862 17.5051 153.768 170.792 145.708 59.9717 148.738 -387.835 PRESSAVG: 1661800 5.19044 27.6622 -26.0017 27.6621 56.7791 -21.3496 -26.0016 -21.3497 -45.6265 GPRESSAVG: 1661800 4.1793 25.3465 -25.2484 27.8595 57.9801 -20.2667 -25.5292 -21.2085 -45.8929 TIMING: 1661800 CPU: 4825.83, 0.00287913/step Wall: 4825.83, 0.00287913/step, 2.66976 hours remaining, 204.210938 MB of memory in use. ENERGY: 1661800 738.7299 2097.3337 1934.1352 115.9609 -205949.3513 17669.2360 0.0000 0.0000 34381.3854 -149012.5701 300.2612 -183393.9556 -148917.3858 299.8418 -129.6028 -90.8900 557809.8041 5.4477 5.4222 PRESSURE: 1662000 -5.50367 5.1012 -47.5705 5.10223 -99.8003 -128.978 -47.5709 -128.98 74.5355 GPRESSURE: 1662000 -27.3242 64.1123 -18.8718 9.43393 -13.4227 -42.4411 -49.708 -141.446 103.218 PRESSAVG: 1662000 -33.0758 2.39209 -50.2813 2.39214 15.7227 -46.461 -50.2812 -46.4609 33.2495 GPRESSAVG: 1662000 -31.9128 4.35695 -49.5779 2.39412 15.2586 -45.2797 -51.6951 -46.5385 32.7081 TIMING: 1662000 CPU: 4826.4, 0.00288868/step Wall: 4826.4, 0.00288868/step, 2.67845 hours remaining, 204.210938 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: 1662000 747.9816 2051.2948 1968.1060 123.7912 -206293.5705 17802.5364 0.0000 0.0000 34552.8893 -149046.9712 301.7590 -183599.8605 -148944.0359 299.7618 -10.2562 20.8237 556900.0172 5.2988 5.3513 PRESSURE: 1662200 -107.667 -7.82368 46.6304 -7.82252 -13.5167 -173.051 46.6313 -173.05 -99.3899 GPRESSURE: 1662200 -57.95 53.0487 -68.6364 -32.2295 -15.9716 -133.293 -52.6375 -114.644 -63.298 PRESSAVG: 1662200 -82.5051 21.1606 -9.50509 21.1606 85.4377 -97.4466 -9.50507 -97.4464 0.219041 GPRESSAVG: 1662200 -83.0956 20.7557 -8.3568 21.4657 85.2348 -98.2244 -9.24176 -96.4524 0.152425 TIMING: 1662200 CPU: 4826.98, 0.00290379/step Wall: 4826.98, 0.00290379/step, 2.69229 hours remaining, 204.210938 MB of memory in use. ENERGY: 1662200 765.0048 2081.3502 1971.1473 118.3116 -205893.2638 17581.4291 0.0000 0.0000 34125.1554 -149250.8655 298.0235 -183376.0209 -149164.3874 299.7297 -73.5246 -45.7399 556143.7183 1.0506 0.7639 PRESSURE: 1662400 157.099 -140.395 39.5851 -140.394 -10.2085 -130.747 39.5857 -130.746 144.156 GPRESSURE: 1662400 210.901 -10.344 66.669 -211.657 45.6234 -149.913 59.6771 -98.911 130.468 PRESSAVG: 1662400 -18.1881 -73.0047 -11.6609 -73.0047 26.5628 -40.6957 -11.6609 -40.6957 -18.7268 GPRESSAVG: 1662400 -19.0342 -71.6775 -12.4704 -74.8596 26.9895 -41.0484 -11.3221 -41.9914 -18.0968 TIMING: 1662400 CPU: 4827.57, 0.0029144/step Wall: 4827.57, 0.0029144/step, 2.70198 hours remaining, 204.210938 MB of memory in use. ENERGY: 1662400 738.1557 2093.7685 1944.2656 107.5023 -206237.9596 17883.0654 0.0000 0.0000 34186.4886 -149284.7136 298.5591 -183471.2022 -149190.2697 298.8649 97.0155 128.9975 555201.5191 -3.4507 -3.3805 PRESSURE: 1662600 1.89038 5.01045 85.1803 5.01044 52.4786 1.69213 85.181 1.69065 -51.242 GPRESSURE: 1662600 43.8575 58.9683 88.6994 -3.69264 67.5297 1.30191 103.879 -48.1145 -21.8486 PRESSAVG: 1662600 39.9114 -13.5393 1.19727 -13.5393 22.9135 6.36688 1.19721 6.36686 -85.7822 GPRESSAVG: 1662600 40.3735 -14.8022 -2.77555 -12.6237 22.5997 6.22537 2.38631 6.42077 -86.1357 TIMING: 1662600 CPU: 4828.15, 0.00290141/step Wall: 4828.15, 0.00290141/step, 2.68977 hours remaining, 204.210938 MB of memory in use. ENERGY: 1662600 759.5069 2088.6425 1934.0606 112.7581 -206174.8651 17839.6502 0.0000 0.0000 34130.3109 -149309.9358 298.0685 -183440.2467 -149214.7223 298.9144 1.0423 29.8462 558138.2290 -7.6524 -7.7209 PRESSURE: 1662800 -160.033 14.4302 -18.1836 14.4312 -48.4469 -38.9596 -18.1833 -38.9609 -134.983 GPRESSURE: 1662800 -168.585 12.4633 -16.8815 10.2774 -24.4279 -107.553 -13.8949 -80.7779 -55.9006 PRESSAVG: 1662800 -54.3527 7.51102 25.5643 7.51105 78.7552 28.7505 25.5644 28.7504 -31.7405 GPRESSAVG: 1662800 -55.0262 8.743 30.0751 8.52782 79.1376 28.2031 23.3836 29.3997 -31.6709 TIMING: 1662800 CPU: 4828.72, 0.00287995/step Wall: 4828.72, 0.00287995/step, 2.66971 hours remaining, 204.210938 MB of memory in use. ENERGY: 1662800 747.3374 2038.6398 1959.1209 115.2925 -205978.6794 17605.8765 0.0000 0.0000 34317.2061 -149195.2062 299.7007 -183512.4123 -149096.8197 298.9224 -114.4876 -82.9711 557214.3544 -2.4460 -2.5198 PRESSURE: 1663000 217.144 -27.7791 3.29683 -27.7782 122.567 -77.4465 3.29652 -77.4455 0.316805 GPRESSURE: 1663000 254.759 -36.8309 -90.2009 36.7675 221.956 -65.2206 23.7095 -83.18 -27.1332 PRESSAVG: 1663000 -52.3285 32.749 -14.5739 32.749 47.6163 5.95795 -14.574 5.95785 0.502519 GPRESSAVG: 1663000 -51.4084 32.0671 -16.3272 33.1906 47.0473 6.6458 -13.0365 5.0237 -0.564716 TIMING: 1663000 CPU: 4829.3, 0.00288154/step Wall: 4829.3, 0.00288154/step, 2.67103 hours remaining, 204.210938 MB of memory in use. ENERGY: 1663000 719.0462 2111.9193 1957.3263 128.8459 -206662.5718 18137.7424 0.0000 0.0000 34351.7283 -149255.9633 300.0022 -183607.6916 -149157.2787 298.9332 113.3425 149.8608 556134.0155 -1.4032 -1.6419 PRESSURE: 1663200 -164.476 -34.2661 187.67 -34.2658 -75.1616 -95.8798 187.669 -95.8805 -122.987 GPRESSURE: 1663200 -112.732 16.1559 203.825 -23.4337 -23.5404 -83.6055 134.207 -175.703 -127.015 PRESSAVG: 1663200 -30.605 38.3282 22.7613 38.3282 44.018 11.2479 22.7614 11.2478 -12.1647 GPRESSAVG: 1663200 -31.7716 37.8465 25.0696 37.4766 44.7443 11.2252 19.7713 11.7717 -11.3806 TIMING: 1663200 CPU: 4829.88, 0.00287407/step Wall: 4829.88, 0.00287407/step, 2.66395 hours remaining, 204.210938 MB of memory in use. ENERGY: 1663200 744.4289 2087.9411 1970.7250 123.2982 -205951.3185 17663.7547 0.0000 0.0000 34146.9603 -149214.2102 298.2139 -183361.1705 -149122.2201 299.1653 -120.8749 -87.7625 558658.5509 0.4161 0.5307 PRESSURE: 1663400 -268.577 27.6697 -100.192 27.6689 -131.617 142.062 -100.191 142.062 118.09 GPRESSURE: 1663400 -261.664 30.4033 -131.554 31.188 -81.6203 85.3307 -77.0133 126.134 162.971 PRESSAVG: 1663400 -48.051 28.8365 -31.1419 28.8365 -19.5847 -12.5562 -31.1419 -12.5561 61.0633 GPRESSAVG: 1663400 -47.777 30.2322 -32.2905 28.3634 -19.2151 -13.1459 -30.071 -11.2 60.6761 TIMING: 1663400 CPU: 4830.45, 0.00289737/step Wall: 4830.45, 0.00289737/step, 2.68537 hours remaining, 204.210938 MB of memory in use. ENERGY: 1663400 762.0752 2075.3119 1948.5517 105.1695 -206124.5611 17814.5243 0.0000 0.0000 34227.1330 -149191.7954 298.9141 -183418.9284 -149107.4017 298.5136 -94.0344 -60.1045 557412.1643 -2.1908 -2.1053 PRESSURE: 1663600 -203.157 -16.4855 -137.936 -16.4856 30.9783 -65.1004 -137.935 -65.0997 -164.092 GPRESSURE: 1663600 -139.337 41.1967 -146.835 -11.5743 46.2915 -68.6237 -59.3949 -12.7961 -148.888 PRESSAVG: 1663600 -27.5525 -32.0949 -71.9505 -32.0949 23.4851 6.66956 -71.9504 6.66957 3.42778 GPRESSAVG: 1663600 -26.4104 -32.2569 -71.8724 -31.1686 23.1947 4.38583 -70.9773 6.86554 2.67008 TIMING: 1663600 CPU: 4831.04, 0.00290802/step Wall: 4831.04, 0.00290802/step, 2.69509 hours remaining, 204.210938 MB of memory in use. ENERGY: 1663600 761.5862 2066.1954 1976.4470 124.2395 -205789.0924 17601.9427 0.0000 0.0000 34205.5266 -149053.1550 298.7254 -183258.6816 -148956.4476 299.2709 -112.0904 -80.6446 557336.5311 -0.2132 -0.1818 PRESSURE: 1663800 -16.159 34.3825 -58.0364 34.3818 -119.395 -116.394 -58.0371 -116.395 41.3966 GPRESSURE: 1663800 52.6203 28.436 -60.4712 -8.45311 -95.1605 -174.697 -86.2916 -95.4115 37.8141 PRESSAVG: 1663800 14.1501 -20.8559 -42.4456 -20.8559 -42.3241 -8.11593 -42.4456 -8.11601 -26.4383 GPRESSAVG: 1663800 13.1397 -22.8472 -42.156 -21.0897 -42.18 -4.8784 -42.7106 -9.95596 -25.6222 TIMING: 1663800 CPU: 4831.62, 0.00289604/step Wall: 4831.62, 0.00289604/step, 2.68383 hours remaining, 204.210938 MB of memory in use. ENERGY: 1663800 760.0534 2092.9243 1969.0489 115.8527 -205753.6110 17659.3841 0.0000 0.0000 34190.3223 -148966.0254 298.5926 -183156.3477 -148861.6713 299.5724 -31.3858 -1.5754 555882.9680 -18.2041 -18.2208 PRESSURE: 1664000 274.432 -63.1624 48.8864 -63.1619 9.86948 -60.5424 48.8865 -60.5425 10.1136 GPRESSURE: 1664000 274.16 -90.3283 -32.8115 8.04043 103.439 -35.7502 50.4463 -9.66212 26.1534 PRESSAVG: 1664000 -46.6007 -1.76533 17.6175 -1.76517 60.5491 -49.6965 17.6175 -49.6965 -9.54882 GPRESSAVG: 1664000 -46.5081 -0.954047 16.8863 -2.45377 59.5657 -49.7985 18.3119 -50.1436 -7.99747 TIMING: 1664000 CPU: 4832.2, 0.00290332/step Wall: 4832.2, 0.00290332/step, 2.69041 hours remaining, 204.210938 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: 1664000 730.2848 2075.9023 1932.4127 126.0274 -206007.1041 17766.0430 0.0000 0.0000 34276.1836 -149100.2503 299.3424 -183376.4339 -149009.0904 299.9788 98.1385 134.5841 555299.1624 1.4665 1.6867 PRESSURE: 1664200 178.401 107.1 -87.9981 107.1 57.2538 122.339 -87.9981 122.34 89.5665 GPRESSURE: 1664200 225.842 93.41 -140.894 82.4149 51.4154 49.6405 -8.96107 203.757 140.61 PRESSAVG: 1664200 16.2394 -11.8867 -46.8511 -11.8865 -1.84532 -19.3507 -46.8511 -19.3508 -33.6222 GPRESSAVG: 1664200 16.4491 -10.7721 -48.6318 -10.9518 -0.591782 -20.8912 -46.4977 -17.8434 -35.6286 TIMING: 1664200 CPU: 4832.78, 0.00291313/step Wall: 4832.78, 0.00291313/step, 2.69934 hours remaining, 204.210938 MB of memory in use. ENERGY: 1664200 740.2397 2128.6289 1953.2392 128.0053 -205949.9129 17719.2084 0.0000 0.0000 34217.0650 -149063.5264 298.8261 -183280.5914 -148961.3701 299.3690 108.4072 139.2890 555668.9248 -6.4094 -6.5904 LDB: ============= START OF LOAD BALANCING ============== 4836.25 LDB: ============== END OF LOAD BALANCING =============== 4836.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4836.25 LDB: ============= START OF LOAD BALANCING ============== 4836.54 LDB: Largest compute 4821 load 0.027257 is 23.2% of average load 0.117698 LDB: Average compute 0.001712 is 1.5% of average load 0.117698 LDB: TIME 4836.54 LOAD: AVG 0.117698 MAX 0.178974 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.336 MB LDB: TIME 4836.54 LOAD: AVG 0.117698 MAX 0.178974 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.398 MB LDB: TIME 4836.54 LOAD: AVG 0.117698 MAX 0.178974 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4836.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4836.55 PRESSURE: 1664400 82.0008 143.427 -89.7827 143.428 -46.8968 -14.4163 -89.7818 -14.4177 130.522 GPRESSURE: 1664400 70.275 149.367 -68.7716 129.825 48.5351 18.6967 -84.8774 -65.7884 145.978 PRESSAVG: 1664400 -8.55008 40.4291 -30.882 40.429 65.4079 -13.7388 -30.882 -13.7387 -38.5645 GPRESSAVG: 1664400 -8.40092 38.3821 -31.9507 39.9638 64.8398 -13.2149 -30.1967 -15.0028 -38.1676 TIMING: 1664400 CPU: 4833.37, 0.00297327/step Wall: 4833.37, 0.00297327/step, 2.7549 hours remaining, 204.101562 MB of memory in use. ENERGY: 1664400 713.3531 2091.8977 1932.4154 110.7650 -206281.9721 17770.9238 0.0000 0.0000 34486.9540 -149175.6631 301.1831 -183662.6171 -149078.6744 299.5835 55.2086 88.2625 555737.5901 6.0978 6.0904 PRESSURE: 1664600 320.828 143.056 74.5537 143.057 -37.8663 116.299 74.5533 116.298 199.041 GPRESSURE: 1664600 298.221 208.325 65.2728 34.6286 35.4186 93.7253 -5.99561 154.198 253.576 PRESSAVG: 1664600 18.6909 54.8257 42.8628 54.8258 33.0931 0.34265 42.8628 0.342634 -37.2523 GPRESSAVG: 1664600 19.0385 55.1462 46.9111 54.2033 32.6041 0.670076 39.5289 0.97869 -37.0389 TIMING: 1664600 CPU: 4833.96, 0.00291015/step Wall: 4833.96, 0.00291015/step, 2.69625 hours remaining, 204.140625 MB of memory in use. ENERGY: 1664600 719.6442 2057.7303 1951.1875 106.5424 -206288.5944 18009.2115 0.0000 0.0000 34174.0822 -149270.1963 298.4508 -183444.2786 -149171.5193 299.1940 160.6677 195.7385 557389.8381 4.8439 4.8679 PRESSURE: 1664800 15.462 111.009 60.3216 111.01 -100.514 55.7156 60.3213 55.7139 -52.6285 GPRESSURE: 1664800 -4.02137 182.259 75.4011 6.58241 -55.6895 114.802 76.3763 94.5823 12.3178 PRESSAVG: 1664800 64.4096 18.37 25.9717 18.37 -28.3189 -4.04825 25.9717 -4.0481 -29.6853 GPRESSAVG: 1664800 63.8148 19.0432 24.2516 20.4182 -27.6759 -4.15874 28.666 -4.58723 -30.0142 TIMING: 1664800 CPU: 4834.54, 0.00290388/step Wall: 4834.54, 0.00290388/step, 2.69029 hours remaining, 204.140625 MB of memory in use. ENERGY: 1664800 755.1402 2078.0611 1945.9691 98.7061 -206172.5261 17716.8585 0.0000 0.0000 34482.1845 -149095.6066 301.1415 -183577.7912 -148997.6980 299.9230 -45.8934 -15.7977 557791.0218 2.1351 2.0416 PRESSURE: 1665000 -279.63 -98.6053 -25.2285 -98.6042 -275.552 -88.2487 -25.229 -88.2497 74.1798 GPRESSURE: 1665000 -231.882 -60.1067 -75.5479 -182.03 -207.271 -191.83 6.76071 12.4532 66.8483 PRESSAVG: 1665000 -32.6008 -23.2416 -9.18634 -23.2416 24.2317 1.95243 -9.1863 1.95244 34.5324 GPRESSAVG: 1665000 -32.5662 -22.3502 -10.8098 -26.3612 23.9549 1.27821 -6.83543 5.10664 34.3778 TIMING: 1665000 CPU: 4835.12, 0.00290006/step Wall: 4835.12, 0.00290006/step, 2.68658 hours remaining, 204.140625 MB of memory in use. ENERGY: 1665000 769.9505 2058.6587 1962.9362 121.8953 -206240.4559 17729.4072 0.0000 0.0000 34456.4701 -149141.1379 300.9169 -183597.6080 -149045.4501 299.7771 -160.3340 -124.1016 556847.3236 8.7211 8.5888 PRESSURE: 1665200 -236.697 -83.5901 12.7626 -83.591 6.15411 143.894 12.7629 143.894 -347.616 GPRESSURE: 1665200 -235.126 7.98676 79.4359 -92.0921 72.7733 114.891 -6.49165 94.7802 -305.91 PRESSAVG: 1665200 29.2185 27.0429 5.35029 27.0429 -35.3563 15.5033 5.35031 15.5034 -7.98613 GPRESSAVG: 1665200 28.8725 24.3808 6.49419 30.5867 -34.5495 17.7313 3.15359 11.7035 -8.37882 TIMING: 1665200 CPU: 4835.7, 0.0029006/step Wall: 4835.7, 0.0029006/step, 2.68692 hours remaining, 204.140625 MB of memory in use. ENERGY: 1665200 759.9219 2069.2082 1974.4831 110.0743 -206312.9540 17815.5952 0.0000 0.0000 34175.8078 -149407.8635 298.4658 -183583.6713 -149314.1031 299.1057 -192.7195 -156.0874 558478.3151 -4.7080 -4.6853 PRESSURE: 1665400 -105.814 15.9526 -70.7997 15.9511 96.2227 32.55 -70.7994 32.5482 -82.4789 GPRESSURE: 1665400 -94.7028 20.114 -171.942 25.3765 125.141 24.7803 33.7908 -11.311 -8.83246 PRESSAVG: 1665400 -3.42719 -27.4936 19.9851 -27.4936 34.2772 1.17439 19.9851 1.17442 -41.5591 GPRESSAVG: 1665400 -3.4731 -23.9833 19.3656 -29.5319 33.4677 -0.310554 18.8776 1.47087 -40.473 TIMING: 1665400 CPU: 4836.28, 0.00291003/step Wall: 4836.28, 0.00291003/step, 2.69549 hours remaining, 204.140625 MB of memory in use. ENERGY: 1665400 759.9151 2070.7094 1972.9900 106.6645 -206373.4164 17831.1783 0.0000 0.0000 34383.1239 -149248.8350 300.2764 -183631.9590 -149155.4583 298.9924 -30.6900 7.2020 557669.7933 -3.5697 -3.4928 PRESSURE: 1665600 -121.165 45.9743 91.8258 45.9729 -198.922 142.019 91.8234 142.019 52.7936 GPRESSURE: 1665600 -44.2259 30.211 69.2953 36.1743 -218.693 159.765 131.667 198.207 91.9061 PRESSAVG: 1665600 -26.8776 -35.7109 23.2427 -35.7109 50.8246 62.487 23.2426 62.4871 13.9027 GPRESSAVG: 1665600 -26.7638 -37.1475 23.4009 -35.1377 50.3956 64.6122 23.1674 62.5424 14.541 TIMING: 1665600 CPU: 4836.86, 0.00290457/step Wall: 4836.86, 0.00290457/step, 2.69028 hours remaining, 204.140625 MB of memory in use. ENERGY: 1665600 689.1001 2097.3786 1958.0577 115.5042 -205934.0746 17643.7169 0.0000 0.0000 34222.5338 -149207.7834 298.8739 -183430.3172 -149109.4177 299.3629 -89.0979 -57.0042 557937.7049 12.6166 12.7243 PRESSURE: 1665800 -0.827825 3.36746 -32.3419 3.36836 -19.5409 202.977 -32.3414 202.976 264.643 GPRESSURE: 1665800 39.214 3.07173 -12.4479 31.6963 43.2425 202.113 -36.0171 249.14 263.13 PRESSAVG: 1665800 32.6918 -25.0629 -9.4472 -25.0629 -23.3736 112.366 -9.44718 112.366 -9.65324 GPRESSAVG: 1665800 32.5048 -24.5605 -10.1665 -26.1845 -21.9043 112.064 -8.86434 113.294 -10.7441 TIMING: 1665800 CPU: 4837.43, 0.00287773/step Wall: 4837.43, 0.00287773/step, 2.66526 hours remaining, 204.140625 MB of memory in use. ENERGY: 1665800 706.9098 2095.7534 1965.1794 121.6936 -206207.4905 17923.3225 0.0000 0.0000 34204.2985 -149190.3333 298.7146 -183394.6318 -149095.4352 298.6011 81.4249 115.1954 557035.4468 -0.1117 -0.0479 PRESSURE: 1666000 35.5126 -45.1 41.6817 -45.0998 -178.947 91.077 41.6821 91.0771 207.747 GPRESSURE: 1666000 73.5973 50.6212 29.7786 -72.1632 -146.003 100.552 81.0614 126.576 222.923 PRESSAVG: 1666000 40.3937 9.86763 33.0237 9.86764 8.95941 46.9044 33.0237 46.9044 -9.27777 GPRESSAVG: 1666000 40.7505 8.42175 33.9673 12.3399 9.01868 43.3895 34.39 46.4115 -9.73455 TIMING: 1666000 CPU: 4838.01, 0.00289497/step Wall: 4838.01, 0.00289497/step, 2.68106 hours remaining, 204.140625 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: 1666000 747.5552 2074.0483 1950.4065 111.3181 -206391.0488 17810.3285 0.0000 0.0000 34259.0127 -149438.3797 299.1925 -183697.3923 -149347.3503 299.6831 21.4376 50.1723 557224.8136 13.3585 13.3449 PRESSURE: 1666200 175.818 -124.932 -57.0405 -124.932 -5.48896 -75.9119 -57.0408 -75.9115 4.55001 GPRESSURE: 1666200 226.222 -74.0465 -113.479 -107.599 23.8519 -95.0361 -30.1582 -55.601 33.5609 PRESSAVG: 1666200 53.5425 -71.615 9.16303 -71.6149 -39.2737 3.32652 9.16297 3.32658 29.7878 GPRESSAVG: 1666200 53.9287 -72.9717 9.4094 -71.4118 -39.4451 5.60343 5.93584 2.64682 30.4189 TIMING: 1666200 CPU: 4838.59, 0.00288182/step Wall: 4838.59, 0.00288182/step, 2.66873 hours remaining, 204.140625 MB of memory in use. ENERGY: 1666200 721.2615 2044.5156 2005.6453 118.3462 -205986.3947 17689.7612 0.0000 0.0000 34035.2580 -149371.6069 297.2384 -183406.8649 -149282.5912 298.9480 58.2930 94.5448 557034.2548 14.6855 14.9675 PRESSURE: 1666400 126.118 -28.9811 83.6803 -28.9807 -44.4225 -25.266 83.6802 -25.2649 262.481 GPRESSURE: 1666400 138.598 -20.9206 50.2733 -12.7358 26.7007 -85.725 130.141 -54.9534 273.273 PRESSAVG: 1666400 -35.5636 -17.2844 22.5545 -17.2844 -3.96373 7.0682 22.5544 7.06816 47.7576 GPRESSAVG: 1666400 -34.9029 -17.1408 22.5682 -17.0181 -4.3734 7.54925 23.7795 7.64395 46.7113 TIMING: 1666400 CPU: 4839.17, 0.00289511/step Wall: 4839.17, 0.00289511/step, 2.68088 hours remaining, 204.207031 MB of memory in use. ENERGY: 1666400 762.8378 2077.1799 1974.7770 115.1154 -206299.4498 17933.2657 0.0000 0.0000 34175.8691 -149260.4049 298.4664 -183436.2740 -149160.6976 299.0781 114.7254 146.1907 556689.7334 2.7434 2.4783 PRESSURE: 1666600 -37.954 -87.407 160.962 -87.4071 -345.785 165.821 160.963 165.819 -209.555 GPRESSURE: 1666600 -60.6939 -126.065 222.426 -53.6815 -329.983 125.505 186.874 104.554 -105.197 PRESSAVG: 1666600 -44.2103 -6.77628 71.555 -6.7763 -51.9972 17.8774 71.555 17.8774 72.2036 GPRESSAVG: 1666600 -44.7995 -5.21763 71.4344 -6.99288 -52.2182 15.8233 71.7637 18.2805 72.8342 TIMING: 1666600 CPU: 4839.75, 0.00291887/step Wall: 4839.75, 0.00291887/step, 2.70271 hours remaining, 204.207031 MB of memory in use. ENERGY: 1666600 735.2759 2120.6861 1977.5036 114.0748 -205683.2324 17523.3441 0.0000 0.0000 34022.7286 -149189.6192 297.1290 -183212.3478 -149094.1918 299.2561 -197.7645 -165.2914 558941.0049 -8.0013 -8.0612 PRESSURE: 1666800 28.02 -41.6849 -21.9395 -41.6848 -130.709 58.8615 -21.9396 58.8616 -327.906 GPRESSURE: 1666800 55.1845 8.83336 -46.2353 -72.1716 -110.754 41.3155 28.627 46.8671 -275.023 PRESSAVG: 1666800 25.3431 26.6856 -12.6009 26.6856 9.25111 81.2761 -12.6009 81.2762 -93.6548 GPRESSAVG: 1666800 24.3858 26.1811 -11.157 26.2181 11.109 82.8673 -14.195 82.2627 -94.1319 TIMING: 1666800 CPU: 4840.33, 0.00290701/step Wall: 4840.33, 0.00290701/step, 2.69156 hours remaining, 204.207031 MB of memory in use. ENERGY: 1666800 703.7090 2108.7991 1948.4904 111.8910 -206084.2662 17616.9047 0.0000 0.0000 34144.3340 -149450.1381 298.1910 -183594.4721 -149352.8840 298.5443 -143.5318 -110.1978 558079.7359 -19.6869 -19.5457 PRESSURE: 1667000 7.85472 -204.443 60.0872 -204.444 -116.726 199.419 60.0877 199.42 -64.4834 GPRESSURE: 1667000 20.4856 -204.459 116.542 -212.203 -45.9726 144.937 98.9086 164.325 -52.586 PRESSAVG: 1667000 27.1477 0.721234 -41.1613 0.721208 -52.9832 33.0692 -41.1613 33.0692 35.8442 GPRESSAVG: 1667000 27.8944 1.06945 -42.2977 0.643585 -54.3717 34.6508 -39.0885 30.3777 36.4714 TIMING: 1667000 CPU: 4840.92, 0.00291338/step Wall: 4840.92, 0.00291338/step, 2.69731 hours remaining, 204.207031 MB of memory in use. ENERGY: 1667000 762.6412 2077.3616 1949.8188 108.4359 -205941.7722 17745.9314 0.0000 0.0000 34027.2508 -149270.3325 297.1684 -183297.5833 -149175.5574 298.7120 -57.7850 -26.0243 558370.4323 3.3363 3.3314 PRESSURE: 1667200 -378.352 -62.6375 -9.54588 -62.6378 -210.028 13.5506 -9.54575 13.5525 -136.254 GPRESSURE: 1667200 -341.084 -24.7341 12.4596 -95.7023 -221.83 -28.2617 -76.4732 45.6696 -70.449 PRESSAVG: 1667200 19.6571 -26.6146 -28.7491 -26.6145 -4.77458 5.20504 -28.7491 5.20494 57.9026 GPRESSAVG: 1667200 18.1851 -26.1087 -30.6488 -27.6599 -4.02108 5.32379 -29.767 5.49015 58.6789 TIMING: 1667200 CPU: 4841.5, 0.00289781/step Wall: 4841.5, 0.00289781/step, 2.68273 hours remaining, 204.207031 MB of memory in use. ENERGY: 1667200 743.5499 2106.7531 1992.5388 118.1813 -205679.7761 17479.7345 0.0000 0.0000 34200.4981 -149038.5205 298.6815 -183239.0186 -148939.6106 299.3614 -241.5446 -211.1211 558191.2109 24.2617 24.2810 PRESSURE: 1667400 17.2895 42.5031 52.6659 42.5032 220.447 -139.706 52.6647 -139.705 104.416 GPRESSURE: 1667400 33.7398 82.946 34.8683 33.2901 329.263 -63.3345 164.103 -228.613 71.9192 PRESSAVG: 1667400 -49.4502 27.8545 -6.37969 27.8545 12.8683 -22.1892 -6.3797 -22.1891 39.61 GPRESSAVG: 1667400 -47.5064 27.7153 -5.28134 29.9284 12.3828 -22.2285 -6.98721 -21.48 38.5857 TIMING: 1667400 CPU: 4842.08, 0.00289842/step Wall: 4842.08, 0.00289842/step, 2.68313 hours remaining, 204.207031 MB of memory in use. ENERGY: 1667400 733.2906 2082.1262 1968.8218 112.0028 -206268.5452 17982.9382 0.0000 0.0000 34463.7271 -148925.6383 300.9803 -183389.3654 -148828.5250 299.1348 114.0506 144.9742 557608.0294 1.0094 1.1540 PRESSURE: 1667600 25.0561 -74.932 5.64816 -74.932 115.532 81.5078 5.64982 81.5089 -48.7235 GPRESSURE: 1667600 40.1803 -56.6628 -16.455 -76.6915 159.028 49.0191 -9.25239 83.7626 -12.261 PRESSAVG: 1667600 -46.2847 -5.30638 16.0744 -5.30628 35.103 -13.1266 16.0745 -13.1266 34.2966 GPRESSAVG: 1667600 -47.3946 -5.62982 16.2425 -5.31286 34.785 -12.9288 15.723 -13.8353 35.6496 TIMING: 1667600 CPU: 4842.65, 0.00288868/step Wall: 4842.65, 0.00288868/step, 2.67396 hours remaining, 204.207031 MB of memory in use. ENERGY: 1667600 706.6505 2132.0132 1931.7225 114.3195 -205994.2786 17656.7380 0.0000 0.0000 34361.9945 -149090.8403 300.0918 -183452.8348 -148997.6540 299.9313 30.6216 62.3158 557923.7672 7.7049 7.6800 PRESSURE: 1667800 -251.968 146.212 -125.263 146.211 70.7604 11.5015 -125.263 11.5021 -4.70435 GPRESSURE: 1667800 -232.706 105.037 -122.599 201.765 90.4294 42.4581 -35.1346 57.9459 44.1435 PRESSAVG: 1667800 -80.0582 7.02609 19.027 7.02604 27.149 51.4493 19.027 51.4493 36.6159 GPRESSAVG: 1667800 -81.2149 7.30674 18.1376 7.61266 27.9774 49.6193 19.7079 52.3809 35.9458 TIMING: 1667800 CPU: 4843.23, 0.00288209/step Wall: 4843.23, 0.00288209/step, 2.66769 hours remaining, 204.207031 MB of memory in use. ENERGY: 1667800 772.4740 2137.3586 1947.9291 115.5033 -206221.9358 17732.9617 0.0000 0.0000 34389.4153 -149126.2938 300.3313 -183515.7091 -149029.6778 299.5749 -61.9708 -32.7111 556839.8936 -5.4311 -5.7639 PRESSURE: 1668000 -55.6753 29.9986 23.1877 30 105.637 -113.793 23.1862 -113.793 -42.7815 GPRESSURE: 1668000 -1.48482 20.5717 106.204 37.4526 124.609 -63.6639 -3.08644 -99.7006 -12.0507 PRESSAVG: 1668000 4.38344 55.0813 -11.501 55.0813 -12.8077 13.1877 -11.5009 13.1877 -3.59592 GPRESSAVG: 1668000 4.71159 57.144 -10.9468 52.5503 -13.6562 12.2045 -10.0984 13.2031 -3.78864 TIMING: 1668000 CPU: 4843.81, 0.00290641/step Wall: 4843.81, 0.00290641/step, 2.69004 hours remaining, 204.207031 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: 1668000 762.3279 2098.7003 1960.6602 117.9390 -206168.9756 17916.6291 0.0000 0.0000 34233.4869 -149079.2322 298.9696 -183312.7191 -148975.7642 299.5235 2.3935 37.0247 557884.8732 -4.0067 -4.2444 PRESSURE: 1668200 -52.2565 -48.7419 33.193 -48.7413 -41.4608 140.923 33.193 140.921 359.524 GPRESSURE: 1668200 19.2665 -17.4097 9.61493 -85.2345 -11.5593 137.762 -36.7708 194.062 347.22 PRESSAVG: 1668200 -30.287 1.89106 20.5204 1.89097 2.39002 -3.70337 20.5205 -3.70343 6.75301 GPRESSAVG: 1668200 -31.0316 0.985728 20.3687 3.16012 3.34413 -2.49654 18.1246 -3.6481 6.50965 TIMING: 1668200 CPU: 4844.39, 0.00289941/step Wall: 4844.39, 0.00289941/step, 2.6834 hours remaining, 204.207031 MB of memory in use. ENERGY: 1668200 729.4052 2111.4967 1976.5220 119.9884 -206370.3287 17867.6474 0.0000 0.0000 34497.7208 -149067.5481 301.2772 -183565.2689 -148980.3749 299.6822 88.6024 118.3092 555760.6426 -7.0480 -7.0593 LDB: ============= START OF LOAD BALANCING ============== 4847.86 LDB: ============== END OF LOAD BALANCING =============== 4847.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4847.86 LDB: ============= START OF LOAD BALANCING ============== 4848.15 LDB: Largest compute 4821 load 0.028263 is 24.0% of average load 0.117726 LDB: Average compute 0.001723 is 1.5% of average load 0.117726 LDB: TIME 4848.15 LOAD: AVG 0.117726 MAX 0.177107 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.887 MB LDB: TIME 4848.15 LOAD: AVG 0.117726 MAX 0.177107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.102 MB LDB: TIME 4848.15 LOAD: AVG 0.117726 MAX 0.177107 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4848.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4848.16 PRESSURE: 1668400 -97.7069 -0.337226 66.9011 -0.337929 -202.924 -35.4743 66.9012 -35.4755 43.1603 GPRESSURE: 1668400 -103.569 -52.5912 53.2432 16.0432 -121.545 9.33883 -12.5451 -52.7852 65.7054 PRESSAVG: 1668400 -36.0166 6.81027 -15.3395 6.81023 -2.19261 -27.9212 -15.3395 -27.9212 55.3196 GPRESSAVG: 1668400 -35.7871 4.58239 -15.5543 7.87601 -2.02525 -28.2736 -14.2223 -29.4005 55.2264 TIMING: 1668400 CPU: 4844.98, 0.00294566/step Wall: 4844.98, 0.00294566/step, 2.72605 hours remaining, 205.417969 MB of memory in use. ENERGY: 1668400 744.3372 2043.1220 1960.1876 119.4663 -206020.3783 17786.6485 0.0000 0.0000 34177.2163 -149189.4004 298.4781 -183366.6167 -149089.9603 299.3441 -85.8234 -53.1363 557555.2322 5.7035 5.8047 PRESSURE: 1668600 181.068 157.428 36.0614 157.427 -198.857 -77.3097 36.0601 -77.3087 -116.78 GPRESSURE: 1668600 208.66 88.69 87.9872 249.283 -183.311 -133.565 -18.9853 -29.6875 -65.9295 PRESSAVG: 1668600 38.5858 8.45789 23.2247 8.45784 -51.6661 -0.163463 23.2248 -0.163389 -22.4685 GPRESSAVG: 1668600 39.2153 10.0944 25.0517 7.72844 -51.9812 -0.182154 23.8715 1.62157 -22.8277 TIMING: 1668600 CPU: 4845.56, 0.00289228/step Wall: 4845.56, 0.00289228/step, 2.67649 hours remaining, 205.753906 MB of memory in use. ENERGY: 1668600 747.7431 2109.3435 1954.5000 105.5837 -206336.2736 17812.0188 0.0000 0.0000 34462.1838 -149144.9007 300.9668 -183607.0845 -149046.0574 298.9804 -44.8564 -13.5266 557686.3160 -11.8496 -11.8645 PRESSURE: 1668800 -216.542 -16.7674 142.038 -16.7703 -11.6804 -10.8457 142.04 -10.8468 -5.20301 GPRESSURE: 1668800 -143.722 -54.433 154.486 0.606683 -24.8142 20.2192 98.4962 -39.8022 35.3111 PRESSAVG: 1668800 -0.579787 66.8011 -3.22691 66.8011 -54.3453 11.9122 -3.2269 11.9123 66.068 GPRESSAVG: 1668800 0.0535722 69.6113 -2.90296 65.92 -54.1459 11.3771 -6.93157 11.6246 65.5434 TIMING: 1668800 CPU: 4846.14, 0.0029019/step Wall: 4846.14, 0.0029019/step, 2.68523 hours remaining, 205.964844 MB of memory in use. ENERGY: 1668800 745.5728 2123.7352 1924.6948 101.5758 -206231.0144 17736.4959 0.0000 0.0000 34217.6700 -149381.2698 298.8314 -183598.9398 -149286.7870 299.4300 -77.8086 -44.4082 557315.2928 3.7143 3.8170 PRESSURE: 1669000 -34.138 -43.9884 -78.6384 -43.9876 -96.1742 37.4115 -78.6386 37.4121 -190.352 GPRESSURE: 1669000 96.1481 -64.7988 -74.4679 -30.9608 -139.911 137.703 -78.184 -43.2052 -168.687 PRESSAVG: 1669000 -5.63796 -10.6019 75.3117 -10.602 -28.2284 12.2796 75.3117 12.2797 20.0294 GPRESSAVG: 1669000 -5.86543 -13.0426 73.8026 -9.0293 -28.7907 12.2633 78.64 12.9973 20.9203 TIMING: 1669000 CPU: 4846.71, 0.00287404/step Wall: 4846.71, 0.00287404/step, 2.65929 hours remaining, 205.964844 MB of memory in use. ENERGY: 1669000 738.4456 2097.9155 1922.5181 123.0343 -206132.7408 17628.1225 0.0000 0.0000 34272.0807 -149350.6240 299.3066 -183622.7047 -149253.2361 299.1376 -106.8879 -70.8167 558275.2528 -4.6123 -4.5786 PRESSURE: 1669200 184.88 -42.9665 -126.746 -42.9671 -22.1094 -132.995 -126.745 -132.995 -123.215 GPRESSURE: 1669200 224.809 -44.4453 -40.7476 -42.9385 -13.5013 -85.145 -59.9763 -153.52 -66.4945 PRESSAVG: 1669200 91.8353 25.0905 50.3777 25.0906 39.1038 24.912 50.3778 24.9121 -110.17 GPRESSAVG: 1669200 92.3525 25.9464 50.9313 25.0211 40.2173 26.5848 51.3483 24.9744 -112.332 TIMING: 1669200 CPU: 4847.29, 0.0028855/step Wall: 4847.29, 0.0028855/step, 2.66973 hours remaining, 205.964844 MB of memory in use. ENERGY: 1669200 719.1743 2107.4879 1922.0034 113.4048 -206366.4220 18010.0400 0.0000 0.0000 34047.8145 -149446.4972 297.3480 -183494.3117 -149347.1901 298.6317 13.1853 48.2712 557240.3165 6.9231 6.7461 PRESSURE: 1669400 -98.9918 -83.3129 53.3352 -83.3121 -28.3819 116.357 53.3347 116.356 79.3415 GPRESSURE: 1669400 -47.3092 -65.1065 89.3637 -46.1308 -28.6096 225.49 55.3193 99.741 131.948 PRESSAVG: 1669400 -1.87567 -1.56516 21.9296 -1.56515 37.3675 -31.5733 21.9296 -31.5732 0.373156 GPRESSAVG: 1669400 -2.56491 -2.61662 21.96 -3.24201 36.2562 -32.1569 20.0129 -32.1989 1.95757 TIMING: 1669400 CPU: 4847.87, 0.00291085/step Wall: 4847.87, 0.00291085/step, 2.69302 hours remaining, 205.964844 MB of memory in use. ENERGY: 1669400 789.0003 2036.1059 1957.9987 120.2408 -206215.4194 17808.3758 0.0000 0.0000 34282.4311 -149221.2669 299.3970 -183503.6980 -149136.0385 299.1230 -16.0107 18.6765 555796.5378 11.9550 11.8830 PRESSURE: 1669600 17.2332 90.0997 14.9928 90.0986 -311.83 11.4256 14.9929 11.4261 7.21674 GPRESSURE: 1669600 47.7956 140.555 71.4612 65.5926 -287.653 -93.3852 1.19422 8.30736 61.7332 PRESSAVG: 1669600 48.4243 4.30207 -26.5987 4.30202 -29.5614 -12.1871 -26.5986 -12.1871 1.99231 GPRESSAVG: 1669600 48.5511 4.55728 -26.8492 5.60889 -31.1233 -12.5171 -25.4619 -11.4565 3.42234 TIMING: 1669600 CPU: 4848.45, 0.00289183/step Wall: 4848.45, 0.00289183/step, 2.67527 hours remaining, 205.964844 MB of memory in use. ENERGY: 1669600 757.4880 2038.7498 1961.7771 119.2344 -206112.9089 17685.3356 0.0000 0.0000 34396.8464 -149153.4776 300.3962 -183550.3240 -149052.7413 299.3501 -95.7935 -59.3747 557970.5125 6.9518 6.9500 PRESSURE: 1669800 296.421 -39.0252 -78.2257 -39.0257 227.56 -15.8277 -78.2261 -15.8306 230.504 GPRESSURE: 1669800 334.366 -76.7744 -39.1867 -54.0223 219.129 -53.1577 -77.5179 6.02404 304.305 PRESSAVG: 1669800 13.3321 37.6424 50.3374 37.6424 -35.9451 -36.3911 50.3374 -36.3911 2.75141 GPRESSAVG: 1669800 13.7135 36.6627 51.5949 36.3469 -36.4891 -36.1695 50.1096 -36.7828 2.59612 TIMING: 1669800 CPU: 4849.03, 0.00290889/step Wall: 4849.03, 0.00290889/step, 2.69088 hours remaining, 205.964844 MB of memory in use. ENERGY: 1669800 719.0705 2068.4547 1930.8584 112.5253 -206425.3775 18034.5522 0.0000 0.0000 34229.1183 -149330.7980 298.9314 -183559.9164 -149240.5787 298.4514 251.4950 285.9329 555803.4300 -6.6205 -6.7265 PRESSURE: 1670000 112.019 -6.91004 125.412 -6.91081 298.466 -85.2713 125.411 -85.2705 -64.8231 GPRESSURE: 1670000 175.419 75.3075 49.1865 -17.1984 290.194 -61.6766 115.218 -98.7222 -21.2463 PRESSAVG: 1670000 -15.7003 0.821753 9.18709 0.82175 23.8403 -36.5775 9.18706 -36.5775 1.19095 GPRESSAVG: 1670000 -16.0893 1.1611 7.79705 2.29482 24.1433 -38.7691 10.1873 -36.9275 1.0362 TIMING: 1670000 CPU: 4849.61, 0.00289752/step Wall: 4849.61, 0.00289752/step, 2.6802 hours remaining, 205.964844 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: 1670000 754.1829 2074.9689 1953.9650 121.8396 -206132.8524 17825.5936 0.0000 0.0000 34114.3557 -149287.9467 297.9292 -183402.3024 -149187.5090 298.6763 115.2205 148.1224 555617.9826 3.1103 3.0301 PRESSURE: 1670200 -170.594 78.9553 -52.022 78.9561 -220.344 17.0894 -52.0211 17.0889 12.3084 GPRESSURE: 1670200 -190.724 62.2668 -44.7534 101.827 -201.806 18.7757 -51.3418 48.3548 107.126 PRESSAVG: 1670200 -25.8471 4.84698 12.4278 4.84691 -13.7789 15.8101 12.4279 15.8101 -6.93263 GPRESSAVG: 1670200 -26.4594 6.20918 13.6249 4.56419 -12.645 17.0388 11.4853 16.812 -8.16024 TIMING: 1670200 CPU: 4850.2, 0.00291242/step Wall: 4850.2, 0.00291242/step, 2.69383 hours remaining, 205.964844 MB of memory in use. ENERGY: 1670200 777.3038 2112.5134 1958.3379 110.6511 -205927.1302 17578.4113 0.0000 0.0000 34174.8396 -149215.0731 298.4574 -183389.9127 -149118.3832 299.0416 -126.2101 -95.1348 557170.2025 -15.5196 -15.7549 PRESSURE: 1670400 244.612 -72.5414 2.2997 -72.5423 213.05 -226.392 2.30088 -226.393 103.741 GPRESSURE: 1670400 250.527 -10.9889 7.95233 -37.7834 260.386 -228.494 68.1654 -233.729 140.713 PRESSAVG: 1670400 -29.4981 -2.50063 -16.8801 -2.50069 -40.8064 -21.8065 -16.8801 -21.8065 40.5882 GPRESSAVG: 1670400 -28.2337 -2.51808 -17.4402 -3.89201 -42.4034 -22.7528 -17.2958 -23.2983 40.7496 TIMING: 1670400 CPU: 4850.78, 0.00290436/step Wall: 4850.78, 0.00290436/step, 2.68621 hours remaining, 205.964844 MB of memory in use. ENERGY: 1670400 710.4443 2098.9702 1941.2880 108.8811 -206408.3186 18007.2629 0.0000 0.0000 34497.1746 -149044.2976 301.2724 -183541.4721 -148953.7884 299.6471 187.1345 217.2087 556499.1192 -9.9054 -9.9625 PRESSURE: 1670600 149.057 38.4014 99.4782 38.4011 65.1438 -51.8937 99.4782 -51.894 72.6904 GPRESSURE: 1670600 135.283 -7.31675 119.868 42.6251 220.466 -68.283 149.812 -12.1834 37.9243 PRESSAVG: 1670600 -17.3843 -11.6291 50.0508 -11.6292 38.6542 -18.8115 50.0508 -18.8116 10.0708 GPRESSAVG: 1670600 -17.1214 -10.88 52.536 -8.98546 39.1535 -17.7795 50.518 -18.9959 9.71136 TIMING: 1670600 CPU: 4851.35, 0.00288365/step Wall: 4851.35, 0.00288365/step, 2.6669 hours remaining, 205.964844 MB of memory in use. ENERGY: 1670600 731.4943 2103.8748 1978.6621 138.5196 -206326.7702 17821.3008 0.0000 0.0000 34271.0205 -149281.8981 299.2973 -183552.9186 -149185.8659 299.0114 95.6305 131.2246 555493.5647 10.4469 10.5812 PRESSURE: 1670800 242.226 65.4751 -43.7649 65.4759 -13.843 -58.2583 -43.7649 -58.2586 194.085 GPRESSURE: 1670800 238.714 104.354 16.1781 65.696 -0.78493 -88.7324 -82.7199 -0.00436834 275.997 PRESSAVG: 1670800 -26.5487 12.7575 37.601 12.7575 5.15845 -11.884 37.6011 -11.8839 42.7518 GPRESSAVG: 1670800 -27.9259 12.5612 36.0865 11.2423 5.12537 -12.064 37.2587 -13.0795 43.8131 TIMING: 1670800 CPU: 4851.93, 0.00290009/step Wall: 4851.93, 0.00290009/step, 2.68194 hours remaining, 205.964844 MB of memory in use. ENERGY: 1670800 725.4971 2117.1311 1959.8618 124.7770 -206116.2700 17899.9277 0.0000 0.0000 34307.4262 -148981.6490 299.6153 -183289.0752 -148882.8719 299.1683 140.8227 171.3085 556807.9525 7.1205 7.0042 PRESSURE: 1671000 20.1668 232.795 76.2583 232.796 174.907 -52.7888 76.2585 -52.7892 44.1976 GPRESSURE: 1671000 39.2711 220.028 83.9835 150.956 161.44 38.5954 32.1199 -83.9784 134.301 PRESSAVG: 1671000 -2.30596 5.8489 26.5435 5.84887 -0.214179 8.71572 26.5436 8.71582 -21.6565 GPRESSAVG: 1671000 -1.54776 6.83467 27.0309 6.40699 -0.787437 7.60104 26.2829 9.43832 -21.5699 TIMING: 1671000 CPU: 4852.51, 0.00289188/step Wall: 4852.51, 0.00289188/step, 2.67419 hours remaining, 205.964844 MB of memory in use. ENERGY: 1671000 762.8852 2108.2280 1971.9796 116.7497 -206219.6145 17990.2952 0.0000 0.0000 34428.7029 -148840.7739 300.6744 -183269.4768 -148744.9068 299.9053 79.7570 111.6705 557044.4191 -8.0589 -7.9684 PRESSURE: 1671200 -197.101 4.10232 -93.2 4.1019 123.581 -44.6695 -93.2004 -44.6695 -40.0995 GPRESSURE: 1671200 -186.139 -115.182 -72.6283 32.9062 149.892 30.6438 -109.093 -61.0906 14.3849 PRESSAVG: 1671200 -45.8546 30.3329 -77.5667 30.3329 58.1104 -38.4914 -77.5667 -38.4914 12.0435 GPRESSAVG: 1671200 -47.103 28.3437 -79.913 32.6004 59.3791 -37.7951 -78.088 -36.7966 11.3528 TIMING: 1671200 CPU: 4853.09, 0.00288584/step Wall: 4853.09, 0.00288584/step, 2.66844 hours remaining, 205.964844 MB of memory in use. ENERGY: 1671200 723.3701 2109.7156 1932.7795 116.8374 -205805.6460 17728.9703 0.0000 0.0000 34241.6056 -148952.3675 299.0405 -183193.9731 -148859.2768 299.7034 -37.8730 -7.2873 557674.0721 8.0997 7.8763 PRESSURE: 1671400 -120.882 48.846 -48.7101 48.8466 95.1826 -59.6691 -48.7119 -59.669 133.9 GPRESSURE: 1671400 -95.2871 33.3969 -96.17 146.656 182.9 -60.1978 62.9174 -70.2748 127.523 PRESSAVG: 1671400 -44.5313 11.9581 20.4766 11.9581 43.6796 -18.9292 20.4766 -18.9292 14.1383 GPRESSAVG: 1671400 -42.7582 12.8696 23.5268 10.6296 42.2046 -20.9923 19.9386 -18.904 13.6108 TIMING: 1671400 CPU: 4853.67, 0.00289015/step Wall: 4853.67, 0.00289015/step, 2.67227 hours remaining, 205.964844 MB of memory in use. ENERGY: 1671400 742.1583 2068.1924 1966.9448 113.2097 -205488.1229 17531.5291 0.0000 0.0000 34298.2739 -148767.8146 299.5354 -183066.0885 -148666.0450 300.1146 36.0669 71.7119 557046.3324 4.4289 4.3524 PRESSURE: 1671600 -16.6707 -86.0681 67.3606 -86.0687 88.1965 -92.2539 67.362 -92.2554 96.3191 GPRESSURE: 1671600 -48.3815 -50.2109 51.0457 -200.46 161.155 -79.4326 112.716 -93.0094 141.533 PRESSAVG: 1671600 -73.0478 7.59201 22.1029 7.59196 47.1622 3.76707 22.1029 3.76703 26.5573 GPRESSAVG: 1671600 -75.3287 7.61231 20.2143 5.16635 48.1523 4.69022 24.8687 2.27827 27.5214 TIMING: 1671600 CPU: 4854.25, 0.00289429/step Wall: 4854.25, 0.00289429/step, 2.67593 hours remaining, 205.964844 MB of memory in use. ENERGY: 1671600 773.0179 2095.6774 1962.7431 115.1613 -205624.5577 17716.8314 0.0000 0.0000 34134.4643 -148826.6624 298.1048 -182961.1267 -148731.1468 300.2539 55.9483 84.7688 555586.9517 0.2239 0.1150 PRESSURE: 1671800 -13.8558 -26.1484 134.849 -26.1494 223.307 -66.1543 134.849 -66.1555 -38.2779 GPRESSURE: 1671800 48.1013 -76.4862 192.453 -35.8647 236.808 -112.358 134.418 7.71486 -44.2681 PRESSAVG: 1671800 -40.1047 -36.5198 -23.8779 -36.5198 66.048 -48.161 -23.8778 -48.1609 -15.7705 GPRESSAVG: 1671800 -38.7493 -35.994 -23.8769 -34.9139 65.0833 -47.1764 -24.9922 -49.5211 -15.7981 TIMING: 1671800 CPU: 4854.82, 0.00288991/step Wall: 4854.82, 0.00288991/step, 2.67172 hours remaining, 205.964844 MB of memory in use. ENERGY: 1671800 731.0410 2057.7396 1953.6242 111.9339 -205883.3741 17671.1811 0.0000 0.0000 34410.8470 -148947.0073 300.5185 -183357.8543 -148849.5064 299.9290 57.0576 80.2137 558012.1586 3.3909 3.5120 PRESSURE: 1672000 270.13 -68.3059 51.3889 -68.307 -30.7962 -106.389 51.3892 -106.387 74.1599 GPRESSURE: 1672000 307.93 -95.3334 -33.0716 -29.3855 10.527 -136.878 44.0053 -94.5148 103.913 PRESSAVG: 1672000 15.9254 -2.1957 -48.1194 -2.19564 -34.363 -61.3815 -48.1195 -61.3815 -25.9871 GPRESSAVG: 1672000 15.4378 -4.08296 -46.1228 -2.16808 -32.9419 -63.7193 -49.2726 -59.5494 -26.8455 TIMING: 1672000 CPU: 4855.4, 0.00287584/step Wall: 4855.4, 0.00287584/step, 2.65855 hours remaining, 205.964844 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: 1672000 731.4428 2044.7866 1966.2023 100.7001 -205967.6300 17838.9754 0.0000 0.0000 34449.8045 -148835.7183 300.8587 -183285.5228 -148742.0797 299.8116 104.4979 140.7899 557161.1334 -14.8082 -14.7832 PRESSURE: 1672200 190.834 -21.4446 -105.28 -21.4462 -15.5156 -9.3259 -105.279 -9.32667 -38.8194 GPRESSURE: 1672200 229.565 9.41954 -132.11 -74.2752 -22.1101 -1.89868 -106.996 -54.7322 35.7843 PRESSAVG: 1672200 1.96154 22.1757 -21.1664 22.1757 -22.5561 35.4581 -21.1663 35.4581 16.9471 GPRESSAVG: 1672200 2.0764 22.6465 -23.8214 20.8049 -23.9403 36.7094 -17.9516 35.3719 17.8829 TIMING: 1672200 CPU: 4855.97, 0.0028756/step Wall: 4855.97, 0.0028756/step, 2.65817 hours remaining, 205.964844 MB of memory in use. ENERGY: 1672200 721.6688 2120.5469 1977.3836 125.1403 -206007.7034 17774.2125 0.0000 0.0000 34319.1519 -148969.5993 299.7177 -183288.7513 -148879.5192 300.0988 45.4995 81.0797 556160.5299 -1.2158 -1.3270 LDB: ============= START OF LOAD BALANCING ============== 4859.44 LDB: ============== END OF LOAD BALANCING =============== 4859.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4859.44 LDB: ============= START OF LOAD BALANCING ============== 4859.73 LDB: Largest compute 4821 load 0.028347 is 24.1% of average load 0.117655 LDB: Average compute 0.001720 is 1.5% of average load 0.117655 LDB: TIME 4859.73 LOAD: AVG 0.117655 MAX 0.178104 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.785 MB LDB: TIME 4859.73 LOAD: AVG 0.117655 MAX 0.178104 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.793 MB LDB: TIME 4859.73 LOAD: AVG 0.117655 MAX 0.178104 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4859.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4859.74 PRESSURE: 1672400 -57.8287 11.2019 28.2892 11.2012 24.4168 46.5053 28.2891 46.5048 -99.6729 GPRESSURE: 1672400 -12.8273 4.29955 79.0554 25.8544 78.5965 55.9738 38.8487 93.3875 -101.129 PRESSAVG: 1672400 43.1459 -12.7388 2.68112 -12.7387 9.49655 48.5609 2.68107 48.5609 -29.0919 GPRESSAVG: 1672400 43.5489 -12.5984 4.16638 -11.5741 9.83214 49.0886 -1.80099 49.2871 -29.6541 TIMING: 1672400 CPU: 4856.56, 0.0029418/step Wall: 4856.56, 0.0029418/step, 2.7192 hours remaining, 205.617188 MB of memory in use. ENERGY: 1672400 749.7332 2130.3386 1946.1419 104.5468 -205932.7919 17627.0062 0.0000 0.0000 34556.6548 -148818.3703 301.7919 -183375.0251 -148728.7594 300.5160 -44.3616 -11.7867 557102.2480 7.8502 7.9090 PRESSURE: 1672600 122.129 -92.8675 -201.652 -92.8695 -21.0341 -58.7954 -201.654 -58.795 378.666 GPRESSURE: 1672600 170.584 -109.744 -150.323 -118.252 1.14391 -32.2128 -197.176 -109.791 397.19 PRESSAVG: 1672600 42.9595 -38.5998 19.7527 -38.5998 42.2483 -22.667 19.7526 -22.6671 -53.6864 GPRESSAVG: 1672600 42.874 -38.2575 20.246 -39.213 41.7697 -21.9321 20.6277 -22.6532 -53.6481 TIMING: 1672600 CPU: 4857.14, 0.00288451/step Wall: 4857.14, 0.00288451/step, 2.66609 hours remaining, 206.078125 MB of memory in use. ENERGY: 1672600 747.4740 2038.0583 1974.2258 130.6756 -206131.7021 17913.6769 0.0000 0.0000 34328.1568 -148999.4347 299.7963 -183327.5916 -148904.1025 299.8439 159.9204 189.6391 556024.1378 10.5071 10.3319 PRESSURE: 1672800 7.68267 -49.5525 -73.9277 -49.5532 157.16 164.253 -73.9282 164.253 59.1216 GPRESSURE: 1672800 37.9612 -1.36136 -78.7027 -57.5457 239.527 175.757 -73.399 159.28 35.4419 PRESSAVG: 1672800 47.3153 -66.3599 -44.3639 -66.3599 -3.81402 -7.98367 -44.3638 -7.9837 -17.6493 GPRESSAVG: 1672800 45.5116 -66.8972 -46.3975 -65.5017 -2.84963 -8.9928 -46.2153 -7.90469 -17.0211 TIMING: 1672800 CPU: 4857.72, 0.00288067/step Wall: 4857.72, 0.00288067/step, 2.66238 hours remaining, 206.335938 MB of memory in use. ENERGY: 1672800 723.4108 2071.1820 1949.3105 112.7393 -206360.8314 17767.2466 0.0000 0.0000 34649.0778 -149087.8643 302.5990 -183736.9421 -148996.2394 300.0139 74.6549 104.3100 556146.3739 8.6173 8.5470 PRESSURE: 1673000 -63.511 26.4445 -53.2687 26.4452 -200.598 -36.0254 -53.2677 -36.0255 -209.48 GPRESSURE: 1673000 -28.6793 2.3242 -74.4276 -4.35208 -141.942 41.2196 -12.4658 -129.114 -214.642 PRESSAVG: 1673000 15.019 -77.796 10.0613 -77.796 -42.6379 -4.35356 10.0614 -4.35355 8.98901 GPRESSAVG: 1673000 16.4817 -77.1953 10.004 -77.6721 -42.7059 -4.70801 10.5503 -4.40962 7.395 TIMING: 1673000 CPU: 4858.29, 0.00287379/step Wall: 4858.29, 0.00287379/step, 2.65586 hours remaining, 206.335938 MB of memory in use. ENERGY: 1673000 744.2964 2066.5390 1952.1203 115.5057 -205884.2538 17551.2363 0.0000 0.0000 34278.5925 -149175.9635 299.3635 -183454.5559 -149077.6731 299.0558 -157.8632 -128.4210 558059.7557 -6.2100 -6.2764 PRESSURE: 1673200 -182.191 -168.465 141.395 -168.464 -99.7514 -139.689 141.396 -139.689 -104.414 GPRESSURE: 1673200 -78.9091 -207.314 39.534 -122.177 -103.133 -158.223 178.902 -66.7141 -103.61 PRESSAVG: 1673200 -51.7714 10.066 32.9835 10.066 0.900702 -48.6541 32.9837 -48.6541 0.25871 GPRESSAVG: 1673200 -52.0868 9.83504 33.043 9.84914 0.131426 -46.6516 35.6466 -49.4576 1.92337 TIMING: 1673200 CPU: 4858.87, 0.00287411/step Wall: 4858.87, 0.00287411/step, 2.656 hours remaining, 206.335938 MB of memory in use. ENERGY: 1673200 711.4487 2115.9279 1958.4653 116.0450 -206031.2235 17723.0447 0.0000 0.0000 34438.1027 -148968.1892 300.7565 -183406.2919 -148873.2652 299.2734 -128.7855 -95.2172 558614.6701 -16.8707 -16.6773 PRESSURE: 1673400 268.112 41.8945 31.292 41.8943 89.3393 -99.8879 31.2915 -99.8868 -84.4208 GPRESSURE: 1673400 273.003 6.24553 -4.8097 87.3019 151.281 -132.881 -21.1608 -18.7504 -67.9365 PRESSAVG: 1673400 22.4291 -11.6192 18.305 -11.6193 9.87428 -51.3603 18.3051 -51.3603 -29.575 GPRESSAVG: 1673400 23.5962 -10.2648 18.8521 -11.9746 10.32 -51.1521 16.1037 -52.713 -31.2592 TIMING: 1673400 CPU: 4859.44, 0.00287444/step Wall: 4859.44, 0.00287444/step, 2.65615 hours remaining, 206.335938 MB of memory in use. ENERGY: 1673400 769.4395 2103.8622 1949.6301 123.9487 -206162.2620 18014.8192 0.0000 0.0000 34204.6441 -148995.9180 298.7177 -183200.5622 -148896.4746 299.8139 91.0101 118.7824 557771.0906 0.9094 0.8856 PRESSURE: 1673600 92.7267 28.4471 10.4265 28.4474 86.6827 -28.9726 10.4249 -28.9727 127.902 GPRESSURE: 1673600 142.614 -68.8052 45.9279 64.6139 117.374 -42.6673 -132.905 20.9782 159.324 PRESSAVG: 1673600 43.9469 -13.7867 36.1635 -13.7867 38.1643 -0.467751 36.1636 -0.467653 -87.675 GPRESSAVG: 1673600 43.6005 -14.0233 35.1509 -14.1138 36.8888 -2.26314 37.7762 0.795501 -86.6349 TIMING: 1673600 CPU: 4860.01, 0.00286072/step Wall: 4860.01, 0.00286072/step, 2.6433 hours remaining, 206.335938 MB of memory in use. ENERGY: 1673600 756.5275 2066.0986 1948.7913 127.7720 -206236.2729 17951.3404 0.0000 0.0000 34434.1259 -148951.6172 300.7218 -183385.7431 -148854.0669 299.8248 102.4371 139.7705 558229.2616 -1.8546 -2.0485 PRESSURE: 1673800 64.2561 25.0599 76.15 25.0583 33.3478 -110.567 76.1497 -110.567 -217.566 GPRESSURE: 1673800 94.0017 14.2612 44.1343 78.2522 102.746 -43.3173 30.1887 -52.5481 -224.164 PRESSAVG: 1673800 25.2237 16.3997 -18.1353 16.3997 42.9101 -21.0708 -18.1353 -21.0707 -44.7144 GPRESSAVG: 1673800 24.2556 15.3999 -18.5207 15.8833 43.318 -19.605 -17.553 -21.2123 -44.0579 TIMING: 1673800 CPU: 4860.59, 0.00287048/step Wall: 4860.59, 0.00287048/step, 2.65216 hours remaining, 206.335938 MB of memory in use. ENERGY: 1673800 725.7912 2101.5347 1944.4621 114.5371 -205928.0157 17692.6107 0.0000 0.0000 34307.9146 -149041.1655 299.6196 -183349.0801 -148944.8782 299.2244 -39.9873 -9.1387 558431.9661 7.8065 7.8386 PRESSURE: 1674000 -244.279 65.8191 168.809 65.8192 -162.185 24.6768 168.809 24.6767 -50.3224 GPRESSURE: 1674000 -248.105 113.726 162.01 19.4534 -135.115 -10.3039 108.436 97.6993 9.69877 PRESSAVG: 1674000 78.0723 15.3774 41.3055 15.3774 -38.9404 -24.2693 41.3055 -24.2694 -53.3481 GPRESSAVG: 1674000 78.9854 16.4984 41.471 14.5322 -37.854 -23.0207 40.1412 -24.5543 -55.411 TIMING: 1674000 CPU: 4861.16, 0.00286991/step Wall: 4861.16, 0.00286991/step, 2.65148 hours remaining, 206.335938 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: 1674000 733.8766 2067.4200 1960.6361 104.6302 -205733.2917 17532.1373 0.0000 0.0000 34323.8691 -149010.7223 299.7589 -183334.5915 -148916.1497 299.7349 -152.2621 -124.5070 559184.2310 -4.7387 -4.7599 PRESSURE: 1674200 -2.83514 31.9132 -14.9513 31.9113 -31.838 -130.222 -14.9509 -130.223 230.736 GPRESSURE: 1674200 59.6434 91.5774 -21.8412 36.438 3.18722 -131.84 -18.8477 -79.1727 229.597 PRESSAVG: 1674200 21.7774 27.4733 23.6233 27.4734 -36.7194 0.101444 23.6234 0.10136 6.4608 GPRESSAVG: 1674200 21.3032 25.1847 23.4625 28.9386 -37.097 -2.02492 22.9958 0.564636 7.32754 TIMING: 1674200 CPU: 4861.74, 0.00288905/step Wall: 4861.74, 0.00288905/step, 2.669 hours remaining, 206.335938 MB of memory in use. ENERGY: 1674200 710.4674 2122.6294 1944.7460 120.5037 -205934.4132 17942.7406 0.0000 0.0000 34210.3319 -148882.9942 298.7673 -183093.3261 -148784.3980 300.0581 65.3544 97.4758 559856.4060 -2.8270 -2.8221 PRESSURE: 1674400 -67.6892 -10.7425 10.7163 -10.7428 146.788 -38.1169 10.7172 -38.1171 -158.911 GPRESSURE: 1674400 -9.18973 -16.8545 45.8524 38.9906 201.536 -78.8406 53.3768 -48.5042 -169.472 PRESSAVG: 1674400 22.3741 -11.8081 -45.4418 -11.8081 -14.0675 -80.7492 -45.4418 -80.7493 20.2549 GPRESSAVG: 1674400 23.0686 -10.8107 -43.9024 -12.5535 -13.1802 -80.5285 -44.0309 -81.1382 19.4463 TIMING: 1674400 CPU: 4862.31, 0.00287599/step Wall: 4862.31, 0.00287599/step, 2.65677 hours remaining, 206.335938 MB of memory in use. ENERGY: 1674400 736.9310 2115.7969 1956.4346 107.2096 -206117.4724 17843.1254 0.0000 0.0000 34325.5931 -149032.3817 299.7739 -183357.9749 -148935.7004 299.9568 -26.6041 7.6249 559084.5616 9.5205 9.7782 PRESSURE: 1674600 -188.523 151.531 -53.89 151.53 -47.9578 -61.7476 -53.8894 -61.747 -65.3532 GPRESSURE: 1674600 -158.897 97.3966 -184.075 164.322 -62.2036 -35.5658 -39.7265 -81.1578 21.3807 PRESSAVG: 1674600 37.3632 -56.707 -3.56734 -56.707 27.8759 -23.3113 -3.56728 -23.3113 -28.425 GPRESSAVG: 1674600 38.2167 -58.5891 -4.36799 -55.7573 26.7506 -22.2409 -3.44686 -23.0063 -28.428 TIMING: 1674600 CPU: 4862.89, 0.00289539/step Wall: 4862.89, 0.00289539/step, 2.67454 hours remaining, 206.335938 MB of memory in use. ENERGY: 1674600 741.1938 2090.0693 1986.9898 107.0666 -205906.1654 17638.6901 0.0000 0.0000 34366.9832 -148975.1726 300.1354 -183342.1558 -148873.3388 300.0080 -100.6113 -66.5732 559873.1984 12.2714 12.1798 PRESSURE: 1674800 17.3984 -26.6891 -9.28979 -26.69 -46.9962 -57.9566 -9.29014 -57.9573 -197.892 GPRESSURE: 1674800 23.105 -46.2239 -12.7133 40.8021 -11.5258 -40.4173 20.9221 -45.5314 -139.657 PRESSAVG: 1674800 -22.6444 30.1749 -17.3257 30.175 -14.5392 -26.7105 -17.3257 -26.7104 -1.41353 GPRESSAVG: 1674800 -24.532 30.7108 -17.3501 30.7961 -13.7431 -28.7293 -18.3631 -25.3884 -0.382021 TIMING: 1674800 CPU: 4863.47, 0.00289024/step Wall: 4863.47, 0.00289024/step, 2.66962 hours remaining, 206.347656 MB of memory in use. ENERGY: 1674800 768.0585 2100.1346 1954.1729 131.3925 -205742.8196 17601.7774 0.0000 0.0000 34218.4014 -148968.8823 298.8378 -183187.2837 -148866.6790 299.2651 -75.8299 -42.6926 558538.1192 -12.8657 -12.8857 PRESSURE: 1675000 209.962 -55.9892 19.6902 -55.989 181.1 298.496 19.6907 298.497 179.004 GPRESSURE: 1675000 266.35 -69.3774 -18.3886 -12.1384 201.108 294.378 53.953 218.35 191.335 PRESSAVG: 1675000 23.391 -20.5568 -49.4938 -20.5568 -1.55169 -25.9301 -49.4939 -25.9301 -64.3761 GPRESSAVG: 1675000 24.8115 -20.0077 -50.7912 -22.2388 -2.56075 -25.5603 -49.278 -27.7338 -64.8588 TIMING: 1675000 CPU: 4864.05, 0.00291538/step Wall: 4864.05, 0.00291538/step, 2.69268 hours remaining, 206.347656 MB of memory in use. ENERGY: 1675000 740.0981 2064.3218 1971.2335 126.5757 -206235.2855 18055.0070 0.0000 0.0000 34273.7145 -149004.3349 299.3209 -183278.0493 -148905.5038 300.0282 190.0218 219.5977 558103.9631 -14.1789 -14.2027 PRESSURE: 1675200 120.748 -74.0865 224.023 -74.0855 -176.533 -29.6108 224.023 -29.6107 205.883 GPRESSURE: 1675200 151.732 -90.2518 245.02 -42.0055 -160.531 -62.8256 166.13 -2.80623 251.112 PRESSAVG: 1675200 36.2737 18.4335 57.0354 18.4336 -41.2732 -28.5977 57.0354 -28.5978 41.0213 GPRESSAVG: 1675200 35.9471 20.5586 58.7599 16.7784 -41.445 -27.9441 57.3583 -28.3131 41.6262 TIMING: 1675200 CPU: 4864.63, 0.00287938/step Wall: 4864.63, 0.00287938/step, 2.65926 hours remaining, 206.347656 MB of memory in use. ENERGY: 1675200 736.6972 2057.2383 1955.1645 107.1640 -206109.8900 17881.6116 0.0000 0.0000 34563.8424 -148808.1719 301.8546 -183372.0143 -148712.1067 300.1189 50.0330 80.7708 558337.7332 12.0072 12.0428 PRESSURE: 1675400 66.5722 -53.8212 -97.4257 -53.8205 -155.638 56.2793 -97.4254 56.2777 60.2812 GPRESSURE: 1675400 89.2915 -36.9604 -135.213 5.60375 -150.478 60.4486 -72.5904 53.3668 124.726 PRESSAVG: 1675400 10.2962 -15.1053 58.2987 -15.1053 -36.1028 8.3798 58.2988 8.37954 41.6621 GPRESSAVG: 1675400 9.69505 -16.4303 54.0489 -12.7825 -35.2488 7.82503 59.2972 9.69266 41.4091 TIMING: 1675400 CPU: 4865.21, 0.00288188/step Wall: 4865.21, 0.00288188/step, 2.66141 hours remaining, 206.347656 MB of memory in use. ENERGY: 1675400 709.1748 2078.6900 1977.8829 116.1984 -205959.8838 17724.5890 0.0000 0.0000 34344.7539 -149008.5950 299.9413 -183353.3489 -148912.9943 300.2031 -9.5947 21.1799 557376.9622 5.2851 5.2851 PRESSURE: 1675600 -149.867 -30.408 120.362 -30.4066 -448.578 -125.719 120.361 -125.719 -148.041 GPRESSURE: 1675600 -72.3764 -32.2452 172.868 -93.0762 -414.54 -110.099 57.8697 -159.568 -171.509 PRESSAVG: 1675600 36.9347 -40.8135 45.7954 -40.8136 27.1986 4.77206 45.7952 4.7721 10.9933 GPRESSAVG: 1675600 38.0387 -39.9248 49.2338 -42.9756 26.4888 6.43042 43.8664 2.06601 10.3043 TIMING: 1675600 CPU: 4865.78, 0.00287839/step Wall: 4865.78, 0.00287838/step, 2.65803 hours remaining, 206.347656 MB of memory in use. ENERGY: 1675600 755.8560 2115.7660 1955.3906 124.7907 -205640.4646 17335.6599 0.0000 0.0000 34354.5048 -148998.4966 300.0264 -183353.0014 -148898.4125 300.4687 -248.8288 -219.4753 558802.0552 25.0422 24.9439 PRESSURE: 1675800 -154.468 46.1961 121.53 46.1965 3.35321 -52.9468 121.531 -52.9474 -133.97 GPRESSURE: 1675800 -151.63 106.077 82.0642 23.5837 95.3393 -65.502 80.6939 -69.4782 -132.327 PRESSAVG: 1675800 -21.4014 -18.8683 12.3032 -18.8682 -22.6479 32.8063 12.3032 32.8063 38.976 GPRESSAVG: 1675800 -21.8655 -18.7502 12.3006 -18.0494 -22.1349 32.8098 13.422 32.0198 38.9863 TIMING: 1675800 CPU: 4866.36, 0.00287823/step Wall: 4866.36, 0.00287823/step, 2.65773 hours remaining, 206.347656 MB of memory in use. ENERGY: 1675800 769.3743 2069.5905 1988.9660 122.3558 -206022.4017 17703.2971 0.0000 0.0000 34345.1608 -149023.6572 299.9448 -183368.8180 -148929.5764 299.5399 -95.0281 -62.8725 557147.4576 -1.6911 -1.6714 PRESSURE: 1676000 235.174 12.7633 223.073 12.7629 31.9638 79.147 223.073 79.1489 -148.989 GPRESSURE: 1676000 273.103 6.11758 235.079 11.1692 70.1093 141.232 163.303 -5.00604 -135.563 PRESSAVG: 1676000 63.9654 -6.44535 19.0661 -6.44536 22.7191 -7.72117 19.0661 -7.72118 -58.2545 GPRESSAVG: 1676000 63.715 -8.89697 19.2799 -3.95668 22.8415 -9.35511 18.82 -6.7812 -57.8336 TIMING: 1676000 CPU: 4866.93, 0.00288948/step Wall: 4866.93, 0.00288948/step, 2.66795 hours remaining, 206.347656 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: 1676000 736.5681 2090.4774 1969.4963 117.2671 -206192.8985 17953.4514 0.0000 0.0000 34328.0399 -148997.5983 299.7953 -183325.6382 -148901.2979 299.6503 39.3829 69.2164 557669.2128 9.4767 9.5743 PRESSURE: 1676200 70.0673 -31.338 31.8241 -31.3383 -89.4416 -22.0576 31.8267 -22.0567 -174.298 GPRESSURE: 1676200 66.6223 -40.5381 80.0121 -107.253 -52.0434 -81.8611 -1.67813 72.8828 -113.586 PRESSAVG: 1676200 8.10159 -15.1958 9.80068 -15.1958 60.3784 28.161 9.80062 28.1611 -65.214 GPRESSAVG: 1676200 8.97482 -14.4435 10.7785 -16.8279 58.878 29.2629 9.42764 30.5177 -64.8935 TIMING: 1676200 CPU: 4867.51, 0.00288234/step Wall: 4867.51, 0.00288234/step, 2.6612 hours remaining, 206.347656 MB of memory in use. ENERGY: 1676200 777.1286 2107.0841 1955.0884 119.8977 -205961.3735 17631.4652 0.0000 0.0000 34374.4246 -148996.2849 300.2004 -183370.7094 -148896.9375 300.0981 -64.5574 -33.0022 556965.1777 1.0887 0.9864 LDB: ============= START OF LOAD BALANCING ============== 4870.98 LDB: ============== END OF LOAD BALANCING =============== 4870.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4870.98 LDB: ============= START OF LOAD BALANCING ============== 4871.27 LDB: Largest compute 4821 load 0.028624 is 24.3% of average load 0.117730 LDB: Average compute 0.001713 is 1.5% of average load 0.117730 LDB: TIME 4871.27 LOAD: AVG 0.11773 MAX 0.177831 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.301 MB LDB: TIME 4871.27 LOAD: AVG 0.11773 MAX 0.177831 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: TIME 4871.27 LOAD: AVG 0.11773 MAX 0.177831 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4871.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4871.27 PRESSURE: 1676400 72.1312 -92.274 8.70323 -92.2743 -230.222 175.175 8.70281 175.174 -302.431 GPRESSURE: 1676400 126.186 -48.9751 -18.401 -104.429 -228.371 119.265 -28.0883 103.493 -275.58 PRESSAVG: 1676400 -1.86474 -22.6553 10.7348 -22.6554 19.7093 24.4297 10.7348 24.4297 -32.0977 GPRESSAVG: 1676400 -2.6217 -22.4397 11.2879 -20.4171 21.5712 21.2532 9.75208 22.8819 -33.1312 TIMING: 1676400 CPU: 4868.1, 0.00293968/step Wall: 4868.1, 0.00293968/step, 2.71397 hours remaining, 204.863281 MB of memory in use. ENERGY: 1676400 744.4277 2116.1531 1949.4642 111.8925 -205630.4895 17507.1874 0.0000 0.0000 34213.7058 -148987.6589 298.7968 -183201.3646 -148895.2289 299.9090 -153.5070 -125.9218 558711.0183 -4.7510 -4.7272 PRESSURE: 1676600 138.386 31.7062 -135.769 31.7058 285.206 -99.9677 -135.77 -99.9682 -213.96 GPRESSURE: 1676600 160.414 2.85852 -116.923 36.7471 354.022 -139.981 -112.296 -108.282 -220.302 PRESSAVG: 1676600 28.1 -30.3797 -0.699352 -30.3798 67.3821 8.22571 -0.699295 8.22577 -95.9444 GPRESSAVG: 1676600 28.2782 -28.2058 -1.67216 -32.441 66.122 11.3153 -1.10802 7.78959 -95.4949 TIMING: 1676600 CPU: 4868.68, 0.00288456/step Wall: 4868.68, 0.00288456/step, 2.66293 hours remaining, 205.121094 MB of memory in use. ENERGY: 1676600 737.1693 2136.3228 1948.6291 114.0705 -206488.5279 18090.1708 0.0000 0.0000 34401.3757 -149060.7897 300.4358 -183462.1654 -148965.9900 299.7558 69.8774 98.0447 558209.4792 -0.1541 -0.3649 PRESSURE: 1676800 -351.076 -49.2668 36.7021 -49.2696 14.2297 195.556 36.7018 195.556 -140.344 GPRESSURE: 1676800 -301.197 -2.29453 8.11315 -32.578 48.3338 160.316 34.6153 132.35 -132.306 PRESSAVG: 1676800 -45.2985 -43.9773 -28.9768 -43.9773 71.8247 36.4149 -28.9768 36.4149 -47.3474 GPRESSAVG: 1676800 -45.5726 -47.1424 -28.4823 -43.3572 72.0759 33.4808 -27.3298 38.4716 -46.6781 TIMING: 1676800 CPU: 4869.25, 0.00289075/step Wall: 4869.25, 0.00289075/step, 2.66848 hours remaining, 205.121094 MB of memory in use. ENERGY: 1676800 786.1951 2118.2106 1951.5373 110.9617 -206147.2891 17670.6637 0.0000 0.0000 34317.4323 -149192.2883 299.7027 -183509.7206 -149096.8964 299.7946 -159.0632 -128.3899 558455.4538 -6.9404 -6.7249 PRESSURE: 1677000 -96.6517 -251.145 -13.7693 -251.144 -10.875 -111.348 -13.7692 -111.347 208.299 GPRESSURE: 1677000 -99.5471 -165.259 -32.7309 -253.604 42.4009 -70.7185 -68.4023 -110.949 255.121 PRESSAVG: 1677000 -6.03798 -62.6984 -29.8444 -62.6984 112.461 -3.01704 -29.8444 -3.01694 -78.6425 GPRESSAVG: 1677000 -6.2526 -61.9156 -29.2587 -61.7826 112.578 -0.656117 -31.6752 -3.0319 -78.0681 TIMING: 1677000 CPU: 4869.83, 0.00288218/step Wall: 4869.83, 0.00288218/step, 2.66041 hours remaining, 205.121094 MB of memory in use. ENERGY: 1677000 742.1490 2107.4945 1953.8877 112.5218 -206239.0227 17863.1764 0.0000 0.0000 34365.7735 -149094.0198 300.1248 -183459.7933 -148998.7104 299.5121 33.5907 65.9916 557386.7730 9.2603 9.4190 PRESSURE: 1677200 -115.316 12.4885 56.102 12.487 181.236 22.052 56.1016 22.0516 -163.061 GPRESSURE: 1677200 -74.2817 -18.2175 79.672 -9.81199 248.153 98.987 80.2873 31.9928 -176.214 PRESSAVG: 1677200 11.2226 -10.6049 -4.30967 -10.6049 26.569 -46.2506 -4.30969 -46.2506 -62.7639 GPRESSAVG: 1677200 12.2392 -11.6261 -6.57032 -12.2376 25.7793 -47.1098 -3.83436 -46.692 -62.6724 TIMING: 1677200 CPU: 4870.41, 0.00289141/step Wall: 4870.41, 0.00289141/step, 2.66877 hours remaining, 205.121094 MB of memory in use. ENERGY: 1677200 724.7906 2069.1601 1972.7424 106.8765 -206033.7377 17678.6205 0.0000 0.0000 34469.2855 -149012.2621 301.0288 -183481.5475 -148913.0599 300.2128 -32.3800 -0.7808 558965.5788 -8.3241 -8.2180 PRESSURE: 1677400 120.548 -37.1015 -125.589 -37.1017 124.183 27.0405 -125.589 27.0396 149.091 GPRESSURE: 1677400 213.775 93.9445 -107.381 -102.014 167.611 -12.2223 -154.483 8.98982 123.431 PRESSAVG: 1677400 -9.83226 14.0577 5.09688 14.0576 65.9654 -42.0963 5.09693 -42.0962 -66.2129 GPRESSAVG: 1677400 -10.558 13.6737 5.48126 15.7543 67.6758 -41.6683 3.99802 -43.1493 -67.1002 TIMING: 1677400 CPU: 4870.99, 0.00290412/step Wall: 4870.99, 0.00290412/step, 2.68034 hours remaining, 205.121094 MB of memory in use. ENERGY: 1677400 750.3209 2114.7321 1952.4573 103.9367 -206358.1356 18058.0033 0.0000 0.0000 34371.2476 -149007.4378 300.1727 -183378.6853 -148903.7311 300.6802 131.2738 168.2723 556992.3802 -3.3599 -3.3274 PRESSURE: 1677600 -186.643 244.932 -0.637219 244.932 103.768 4.55577 -0.637253 4.55504 169.779 GPRESSURE: 1677600 -170.202 233.906 27.9949 254.369 81.2914 42.2667 29.4958 31.3471 263.8 PRESSAVG: 1677600 63.2015 -8.15781 -35.3484 -8.15776 -6.30779 19.0397 -35.3484 19.0398 -44.2331 GPRESSAVG: 1677600 64.1008 -7.20277 -35.4373 -9.72287 -6.79324 20.3501 -35.8465 19.0296 -44.3803 TIMING: 1677600 CPU: 4871.57, 0.00288845/step Wall: 4871.57, 0.00288845/step, 2.66572 hours remaining, 205.121094 MB of memory in use. ENERGY: 1677600 697.1680 2136.4782 1972.9054 112.5172 -206120.8087 17716.9239 0.0000 0.0000 34426.7923 -149058.0237 300.6577 -183484.8160 -148961.2576 299.5627 28.9678 58.2966 558255.1137 4.2202 4.3091 PRESSURE: 1677800 81.26 -20.298 -32.4272 -20.298 130.785 37.4038 -32.4272 37.4031 50.1025 GPRESSURE: 1677800 -29.2113 -80.9916 -52.7378 -20.5708 236.15 56.5412 -19.9452 49.4505 157.407 PRESSAVG: 1677800 -97.393 5.25819 5.76557 5.25827 58.943 -0.178391 5.76556 -0.178367 -15.0131 GPRESSAVG: 1677800 -97.2065 7.79161 4.76193 4.07524 58.3492 -1.10636 9.2437 0.502167 -14.5737 TIMING: 1677800 CPU: 4872.14, 0.00288632/step Wall: 4872.14, 0.00288632/step, 2.6636 hours remaining, 205.121094 MB of memory in use. ENERGY: 1677800 763.9295 2113.6114 1959.9052 116.0244 -206202.1601 17830.8483 0.0000 0.0000 34215.3655 -149202.4759 298.8113 -183417.8414 -149104.5581 299.8003 87.3824 121.4485 556402.3407 -17.8210 -17.8103 PRESSURE: 1678000 -99.111 221.891 120.836 221.891 55.7384 9.72612 120.837 9.72585 -215.174 GPRESSURE: 1678000 -54.9459 125.998 47.6686 257.198 -14.4007 22.7416 188.61 8.57127 -91.0022 PRESSAVG: 1678000 -7.73357 36.9611 -3.72951 36.961 97.9747 -27.8037 -3.72954 -27.8038 -61.9392 GPRESSAVG: 1678000 -7.61346 35.0311 -3.21986 40.467 98.7467 -29.5988 -5.49265 -28.3295 -62.4379 TIMING: 1678000 CPU: 4872.73, 0.0029057/step Wall: 4872.73, 0.0029057/step, 2.68131 hours remaining, 205.191406 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: 1678000 778.9281 2108.9763 1978.7157 113.3466 -206137.8010 17805.4935 0.0000 0.0000 34185.4879 -149166.8530 298.5504 -183352.3409 -149074.1278 299.5914 -86.1823 -53.4496 559029.6835 9.4340 9.5651 PRESSURE: 1678200 6.0631 -68.3801 -54.841 -68.3788 137.835 -17.2366 -54.8409 -17.2381 197.83 GPRESSURE: 1678200 56.3568 63.4161 -39.216 -100.604 186.647 34.1543 -38.3986 -64.1172 202.055 PRESSAVG: 1678200 -45.6492 8.95806 23.7206 8.95807 2.03579 3.87013 23.7206 3.87007 -0.844502 GPRESSAVG: 1678200 -44.9239 9.79239 24.1565 7.44047 1.25634 5.99972 23.9014 2.83336 -0.174495 TIMING: 1678200 CPU: 4873.3, 0.0028776/step Wall: 4873.3, 0.0028776/step, 2.65523 hours remaining, 205.191406 MB of memory in use. ENERGY: 1678200 745.7974 2017.9732 1977.6869 106.8553 -206561.1772 18169.2360 0.0000 0.0000 34282.7007 -149260.9277 299.3994 -183543.6284 -149161.8067 299.2066 113.9097 148.3528 557977.9074 -14.8193 -14.6140 PRESSURE: 1678400 -193.02 46.2018 56.5521 46.2016 8.7201 -111.643 56.5545 -111.642 -405.186 GPRESSURE: 1678400 -127.953 102.13 -2.88429 22.4786 -12.0102 -156.872 71.8455 -86.6526 -349.482 PRESSAVG: 1678400 28.191 19.5003 -48.1444 19.5004 8.87047 -62.4155 -48.1444 -62.4154 -25.9198 GPRESSAVG: 1678400 26.8243 18.5955 -47.3475 19.0705 9.51716 -62.7897 -49.0631 -61.203 -25.0078 TIMING: 1678400 CPU: 4873.88, 0.00289599/step Wall: 4873.88, 0.00289599/step, 2.67203 hours remaining, 205.191406 MB of memory in use. ENERGY: 1678400 774.5341 2067.9149 1946.3691 119.3987 -205757.6253 17624.2001 0.0000 0.0000 34050.0526 -149175.1559 297.3676 -183225.2085 -149087.0863 298.7601 -196.4953 -163.1483 559547.3400 3.7139 3.7779 PRESSURE: 1678600 -59.64 51.0519 101.142 51.0528 -64.8166 103.87 101.142 103.871 48.2821 GPRESSURE: 1678600 -39.1539 22.8296 129.459 138.643 -29.7362 80.7001 31.4418 95.2357 83.849 PRESSAVG: 1678600 33.9768 2.40289 -19.3332 2.40304 -8.85192 -35.1837 -19.3332 -35.1837 -6.62914 GPRESSAVG: 1678600 34.9686 2.20936 -20.0411 3.0693 -10.6653 -34.9691 -18.8713 -36.6105 -5.96654 TIMING: 1678600 CPU: 4874.45, 0.00286361/step Wall: 4874.45, 0.00286361/step, 2.642 hours remaining, 205.191406 MB of memory in use. ENERGY: 1678600 767.7951 2082.8671 1963.0397 111.8102 -205918.6304 17762.7604 0.0000 0.0000 34208.4741 -149021.8837 298.7511 -183230.3578 -148913.0316 299.1287 -25.3915 4.9863 557624.3673 6.1652 6.1123 PRESSURE: 1678800 -53.64 -67.8307 -225.576 -67.83 106.513 103.605 -225.577 103.604 165.452 GPRESSURE: 1678800 -23.3276 -169.09 -216.021 -104.144 150.814 132.206 -99.0736 74.9346 187.168 PRESSAVG: 1678800 -26.3565 -1.44181 -42.5984 -1.44178 -65.126 -26.1502 -42.5984 -26.1502 67.3825 GPRESSAVG: 1678800 -25.897 -2.77231 -44.1362 0.492809 -64.2365 -27.1031 -41.2657 -24.1785 66.518 TIMING: 1678800 CPU: 4875.03, 0.00287197/step Wall: 4875.03, 0.00287197/step, 2.64955 hours remaining, 205.191406 MB of memory in use. ENERGY: 1678800 731.0764 2089.8995 1972.1259 104.6381 -206329.5924 18126.9886 0.0000 0.0000 34196.4053 -149108.4587 298.6457 -183304.8641 -149004.6813 299.4710 72.7749 104.8847 557144.9791 -8.0333 -7.8718 PRESSURE: 1679000 101.507 31.5324 -38.621 31.5321 -185.768 55.258 -38.6207 55.2596 248.765 GPRESSURE: 1679000 68.6521 -9.21281 -65.7283 51.5067 -126.034 21.8446 -4.56171 62.9242 317.412 PRESSAVG: 1679000 43.6943 -43.2373 25.0737 -43.2374 -61.4851 -57.5651 25.0737 -57.5651 54.2207 GPRESSAVG: 1679000 42.7239 -41.2318 28.056 -45.943 -60.5144 -58.659 22.6697 -56.001 54.0934 TIMING: 1679000 CPU: 4875.61, 0.00289379/step Wall: 4875.61, 0.00289379/step, 2.66952 hours remaining, 205.191406 MB of memory in use. ENERGY: 1679000 752.1035 2063.9291 1950.3378 108.1493 -206332.9902 17958.2758 0.0000 0.0000 34340.9945 -149159.2003 299.9084 -183500.1948 -149073.1075 298.9265 54.8350 86.6768 556481.9271 12.1433 12.1010 PRESSURE: 1679200 108.519 139.796 -122.099 139.795 -121.236 -144.926 -122.098 -144.927 24.168 GPRESSURE: 1679200 131.493 220.747 -160.104 66.6818 -52.6255 -130.375 -134.074 -192.052 15.2898 PRESSAVG: 1679200 -55.1428 -6.2891 32.6812 -6.2891 33.625 -16.8741 32.6812 -16.874 28.8022 GPRESSAVG: 1679200 -55.4677 -6.64806 29.9681 -6.17865 33.9468 -13.8561 34.7893 -24.0107 28.6045 TIMING: 1679200 CPU: 4876.19, 0.00290107/step Wall: 4876.19, 0.00290107/step, 2.67608 hours remaining, 205.394531 MB of memory in use. ENERGY: 1679200 759.7377 2141.0258 1972.7230 105.6363 -206147.0203 17824.9418 0.0000 0.0000 34335.2429 -149007.7128 299.8582 -183342.9558 -148912.2046 299.3001 3.8168 31.3858 557784.1035 2.4281 2.3612 PRESSURE: 1679400 -117.78 -44.8487 144.229 -44.8489 -27.8109 116.523 144.228 116.523 -55.806 GPRESSURE: 1679400 -125.146 -61.468 134.73 16.9988 51.2687 103.293 33.4396 104.284 -29.3593 PRESSAVG: 1679400 15.4598 107.579 -0.247519 107.579 -15.4675 29.0167 -0.247448 29.0167 42.1884 GPRESSAVG: 1679400 15.2235 108.702 1.64907 107.04 -14.3067 26.7019 -2.47558 32.7684 40.9473 TIMING: 1679400 CPU: 4876.77, 0.00290257/step Wall: 4876.77, 0.00290257/step, 2.6773 hours remaining, 205.394531 MB of memory in use. ENERGY: 1679400 768.3420 2045.8659 1970.1928 108.2004 -206058.9771 17848.9186 0.0000 0.0000 34337.0703 -148980.3872 299.8742 -183317.4575 -148878.9982 299.3891 -67.1322 -34.4122 557346.0694 14.0602 13.9547 PRESSURE: 1679600 54.4853 -136.983 92.5103 -136.982 118.124 93.0115 92.5112 93.0114 130.511 GPRESSURE: 1679600 120.748 -72.7605 156.886 -128.896 138.067 113.779 37.9956 90.6308 140.519 PRESSAVG: 1679600 -23.763 -1.07631 0.640575 -1.07627 -25.3261 9.258 0.640494 9.25798 45.226 GPRESSAVG: 1679600 -23.7203 -1.84656 -0.803268 1.40778 -26.7644 9.22406 4.60306 9.66242 47.1925 TIMING: 1679600 CPU: 4877.34, 0.00288798/step Wall: 4877.34, 0.00288798/step, 2.66368 hours remaining, 205.394531 MB of memory in use. ENERGY: 1679600 714.0861 2060.9268 1941.2749 129.3538 -206115.0374 17958.5363 0.0000 0.0000 34329.5148 -148981.3446 299.8082 -183310.8594 -148886.3009 300.1138 101.0402 133.1114 557604.9139 -1.2877 -1.0974 PRESSURE: 1679800 166.187 8.47317 -84.2121 8.47299 207.065 200.405 -84.2116 200.406 108.994 GPRESSURE: 1679800 192.928 79.8267 -132.677 -72.0446 257.953 237.322 -39.6363 227.349 127.227 PRESSAVG: 1679800 -47.5936 -4.86637 13.1519 -4.86633 34.1126 -12.1401 13.152 -12.1401 19.5808 GPRESSAVG: 1679800 -47.6363 -4.05374 12.5235 -7.96124 34.0029 -11.8177 12.6071 -12.5151 19.3082 TIMING: 1679800 CPU: 4877.92, 0.00288909/step Wall: 4877.92, 0.00288909/step, 2.66455 hours remaining, 205.394531 MB of memory in use. ENERGY: 1679800 741.5921 2122.4319 1949.9571 129.4816 -206101.1461 17957.4843 0.0000 0.0000 34172.1644 -149028.0347 298.4340 -183200.1991 -148939.9485 299.5633 160.7488 192.7025 557100.8355 2.0332 1.8916 PRESSURE: 1680000 -287.019 70.7283 -137.643 70.7272 109.752 15.4156 -137.645 15.4149 -276.457 GPRESSURE: 1680000 -184.596 2.10478 -150.21 157.143 131.862 38.1906 -110.847 4.02388 -296.399 PRESSAVG: 1680000 21.645 -4.94598 20.2031 -4.94587 103.453 1.02454 20.2031 1.02459 -49.3193 GPRESSAVG: 1680000 22.1547 -3.87743 20.5364 -3.25593 103.352 2.53797 17.1087 1.29279 -49.7892 TIMING: 1680000 CPU: 4878.5, 0.00289034/step Wall: 4878.5, 0.00289034/step, 2.66553 hours remaining, 205.394531 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: 1680000 767.7994 2132.8016 1961.7978 123.7708 -205881.6861 17561.8833 0.0000 0.0000 34221.5353 -149112.0981 298.8652 -183333.6333 -149016.5192 299.3704 -151.2415 -116.3776 556071.1662 25.2597 25.2393 PRESSURE: 1680200 80.7832 -22.1511 -64.2354 -22.1521 109.951 -131.35 -64.2365 -131.349 -273.143 GPRESSURE: 1680200 122.554 7.73335 -18.2321 -0.0166224 79.1954 -132.187 -94.7661 -93.303 -183.077 PRESSAVG: 1680200 -0.0107824 23.5752 -30.6842 23.5752 29.3675 41.6359 -30.6843 41.636 -49.9196 GPRESSAVG: 1680200 -0.670145 23.3613 -29.1822 23.6072 29.9348 41.2313 -27.7901 42.2991 -49.6887 TIMING: 1680200 CPU: 4879.08, 0.00290608/step Wall: 4879.08, 0.00290608/step, 2.67989 hours remaining, 205.394531 MB of memory in use. ENERGY: 1680200 730.4235 2088.2201 1958.4186 113.9449 -206004.8621 17643.3767 0.0000 0.0000 34293.0862 -149177.3921 299.4901 -183470.4782 -149079.6144 299.2904 -27.4696 6.2241 557465.9449 -6.8543 -6.8080 LDB: ============= START OF LOAD BALANCING ============== 4882.55 LDB: ============== END OF LOAD BALANCING =============== 4882.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4882.55 LDB: ============= START OF LOAD BALANCING ============== 4882.84 LDB: Largest compute 4821 load 0.027963 is 23.7% of average load 0.117765 LDB: Average compute 0.001718 is 1.5% of average load 0.117765 LDB: TIME 4882.84 LOAD: AVG 0.117765 MAX 0.176656 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 203.398 MB LDB: TIME 4882.85 LOAD: AVG 0.117765 MAX 0.176656 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.398 MB LDB: TIME 4882.85 LOAD: AVG 0.117765 MAX 0.176656 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 203.398 MB LDB: ============== END OF LOAD BALANCING =============== 4882.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4882.85 PRESSURE: 1680400 219.343 -2.70544 27.5444 -2.70374 -143.501 -83.5389 27.545 -83.5413 -28.4232 GPRESSURE: 1680400 263.166 47.5397 43.1083 53.4867 -137.902 -39.59 32.5209 -64.2495 14.666 PRESSAVG: 1680400 70.5048 8.32865 -0.579153 8.32862 -9.91524 1.4386 -0.57913 1.43872 -46.4118 GPRESSAVG: 1680400 71.6478 8.13386 -0.959602 7.22025 -11.5107 0.238397 -1.64911 1.04754 -45.7292 TIMING: 1680400 CPU: 4879.68, 0.00296866/step Wall: 4879.68, 0.00296866/step, 2.73744 hours remaining, 202.691406 MB of memory in use. ENERGY: 1680400 716.5787 2101.4942 1964.3770 108.3702 -206199.9225 17833.5332 0.0000 0.0000 34424.6046 -149050.9647 300.6386 -183475.5692 -148949.0220 299.7051 15.8062 46.6433 556793.8864 4.7259 4.8026 PRESSURE: 1680600 431.326 142.131 -15.8532 142.132 -85.0482 55.1084 -15.8525 55.1085 -169.014 GPRESSURE: 1680600 454.344 164.247 -9.25454 140.064 7.7752 157.049 -97.3988 50.3046 -177.662 PRESSAVG: 1680600 24.8754 64.351 -8.84348 64.351 -70.1156 18.5715 -8.84356 18.5716 65.1815 GPRESSAVG: 1680600 24.3506 66.2066 -8.88389 61.8305 -68.2301 18.2572 -9.68304 17.5452 63.7392 TIMING: 1680600 CPU: 4880.26, 0.0029044/step Wall: 4880.26, 0.0029044/step, 2.67802 hours remaining, 202.929688 MB of memory in use. ENERGY: 1680600 715.9095 2075.8101 1954.4560 115.9514 -206196.0736 17943.7894 0.0000 0.0000 34336.5551 -149053.6021 299.8697 -183390.1572 -148954.6254 299.6981 59.0883 94.8191 557021.4292 6.6471 6.6199 PRESSURE: 1680800 -180.438 -61.0039 0.160184 -61.0046 -24.7896 205.194 0.160922 205.195 141.237 GPRESSURE: 1680800 -161.782 -58.2537 -52.3355 -39.7126 -12.51 147.179 80.9232 199.724 206.065 PRESSAVG: 1680800 53.5992 24.3367 19.1979 24.3367 26.9722 50.8587 19.1981 50.8588 -58.0779 GPRESSAVG: 1680800 52.0505 21.836 18.6037 27.5308 26.1603 51.1335 21.264 51.0245 -56.1435 TIMING: 1680800 CPU: 4880.84, 0.00290175/step Wall: 4880.84, 0.00290175/step, 2.67541 hours remaining, 202.929688 MB of memory in use. ENERGY: 1680800 721.8035 2107.0323 1936.7105 126.8709 -206020.4897 17740.8329 0.0000 0.0000 34286.8479 -149100.3917 299.4356 -183387.2396 -149008.4554 299.5558 -21.3302 10.5911 557182.1694 7.4978 7.3558 PRESSURE: 1681000 -181.579 -161.502 -213.511 -161.501 276.796 18.978 -213.511 18.9786 -72.457 GPRESSURE: 1681000 -143.518 -169.319 -153.943 -175.388 297.528 59.0016 -230.318 -55.2946 -47.0689 PRESSAVG: 1681000 -30.6066 28.8633 -20.8657 28.8633 -61.1582 18.4506 -20.8657 18.4506 35.3722 GPRESSAVG: 1681000 -30.0257 28.9954 -21.0244 26.6229 -62.1072 19.3392 -20.6992 18.6156 34.6167 TIMING: 1681000 CPU: 4881.42, 0.00289164/step Wall: 4881.42, 0.00289164/step, 2.66594 hours remaining, 203.039062 MB of memory in use. ENERGY: 1681000 743.1673 2073.3858 1951.0251 121.6913 -206199.8255 17864.3942 0.0000 0.0000 34208.9970 -149237.1649 298.7557 -183446.1618 -149138.7800 299.0205 7.5866 35.6470 556896.6522 -18.7975 -19.1721 PRESSURE: 1681200 -125.061 2.38995 39.5066 2.38987 -253.044 -51.9054 39.5069 -51.9065 -15.2574 GPRESSURE: 1681200 -102.262 50.7474 17.78 6.36563 -208.12 -102.011 46.6452 -61.9039 6.65295 PRESSAVG: 1681200 7.86942 -9.06357 -5.45313 -9.0637 12.0747 -22.0854 -5.45308 -22.0856 -18.2507 GPRESSAVG: 1681200 7.52085 -10.1388 -4.85538 -5.7135 12.5269 -21.4099 -6.65944 -21.3701 -18.4668 TIMING: 1681200 CPU: 4881.99, 0.0028753/step Wall: 4881.99, 0.0028753/step, 2.65071 hours remaining, 203.039062 MB of memory in use. ENERGY: 1681200 771.9241 2073.9226 1934.2743 100.3863 -205829.7517 17491.0323 0.0000 0.0000 34162.6828 -149295.5294 298.3512 -183458.2122 -149198.8487 298.7337 -131.1207 -101.2429 556225.7590 0.5645 0.5270 PRESSURE: 1681400 351.98 58.4241 -33.6781 58.4246 217.05 52.6678 -33.6768 52.6657 252.627 GPRESSURE: 1681400 402.691 91.8714 52.5921 164.399 241.52 20.1151 -16.9668 24.3953 264.329 PRESSAVG: 1681400 19.8761 29.8061 -0.446145 29.806 -49.4966 25.689 -0.44617 25.689 23.2125 GPRESSAVG: 1681400 19.5834 29.1597 0.851242 29.2773 -49.2788 24.6251 -1.14819 24.6165 23.6562 TIMING: 1681400 CPU: 4882.56, 0.00286845/step Wall: 4882.56, 0.00286845/step, 2.64423 hours remaining, 203.039062 MB of memory in use. ENERGY: 1681400 752.7407 2078.0928 1953.8190 110.6692 -206654.5037 18255.9808 0.0000 0.0000 34245.9410 -149257.2601 299.0783 -183503.2010 -149160.9141 299.0290 273.8859 302.8467 555626.2662 -2.1360 -2.0131 PRESSURE: 1681600 -254.806 -60.718 75.5258 -60.7194 11.702 103.385 75.5255 103.388 -146.012 GPRESSURE: 1681600 -201.323 -81.4429 97.7115 -107.918 -12.1679 20.9501 132.57 88.3292 -90.2574 PRESSAVG: 1681600 63.8565 31.0987 7.1787 31.0987 18.8035 32.7682 7.17875 32.7682 -52.9159 GPRESSAVG: 1681600 64.1849 31.9112 8.29352 28.9014 18.53 31.8716 6.03049 33.2238 -52.6114 TIMING: 1681600 CPU: 4883.14, 0.00287671/step Wall: 4883.14, 0.00287671/step, 2.65169 hours remaining, 203.039062 MB of memory in use. ENERGY: 1681600 724.6462 2090.9240 1940.5939 113.1401 -206193.9410 17680.7946 0.0000 0.0000 34370.8074 -149273.0348 300.1688 -183643.8422 -149171.7005 298.9939 -129.7053 -101.2495 556732.3132 9.9147 10.0345 PRESSURE: 1681800 5.58079 -10.1472 198.55 -10.1475 -20.1185 -80.8753 198.552 -80.8744 -220.619 GPRESSURE: 1681800 7.10733 -34.7533 238.457 -24.9533 58.1479 -50.7333 279.632 -49.2945 -195.516 PRESSAVG: 1681800 -2.82031 -1.14367 -34.3863 -1.14358 13.8662 -11.187 -34.3862 -11.187 -4.90411 GPRESSAVG: 1681800 -2.44968 -2.92638 -35.8622 1.02223 15.864 -9.00557 -33.2757 -11.5889 -7.24727 TIMING: 1681800 CPU: 4883.72, 0.00288248/step Wall: 4883.72, 0.00288248/step, 2.65684 hours remaining, 203.039062 MB of memory in use. ENERGY: 1681800 794.2024 2105.0088 1949.2557 121.6963 -206125.8233 17681.7891 0.0000 0.0000 34145.3419 -149328.5292 298.1998 -183473.8710 -149231.1002 299.0316 -78.3856 -43.4202 556611.6260 2.0472 2.0557 PRESSURE: 1682000 -62.3577 77.439 -10.0283 77.4388 381.971 28.4095 -10.0279 28.4098 -101.879 GPRESSURE: 1682000 -5.26131 11.9893 -12.6663 90.5257 339.839 13.5826 -3.73638 48.0651 -30.9244 PRESSAVG: 1682000 -43.6608 13.4792 0.53052 13.4791 19.8111 -14.4017 0.530451 -14.4017 -8.76289 GPRESSAVG: 1682000 -44.2406 14.8443 2.12271 12.9996 19.4372 -16.0915 -1.46752 -14.3382 -8.45017 TIMING: 1682000 CPU: 4884.3, 0.00289627/step Wall: 4884.3, 0.00289627/step, 2.6694 hours remaining, 203.039062 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: 1682000 748.2437 2130.7113 1956.0135 126.6410 -206407.7447 17921.1784 0.0000 0.0000 34238.7220 -149286.2348 299.0153 -183524.9568 -149191.0969 299.0663 72.5780 101.2179 556979.5246 -10.8709 -11.0845 PRESSURE: 1682200 168.728 -86.126 72.9132 -86.1256 26.251 14.219 72.9125 14.218 12.1996 GPRESSURE: 1682200 195.634 -27.4803 147.526 -105.494 68.4515 -25.0932 -9.0005 17.2768 37.717 PRESSAVG: 1682200 44.4205 39.2248 -5.46324 39.2249 17.4829 5.64293 -5.46331 5.64295 -64.1737 GPRESSAVG: 1682200 43.5119 39.1154 -9.03486 39.6095 18.236 7.13271 -2.73295 5.52629 -63.5532 TIMING: 1682200 CPU: 4884.87, 0.00288861/step Wall: 4884.87, 0.00288861/step, 2.66217 hours remaining, 203.039062 MB of memory in use. ENERGY: 1682200 733.2982 2107.8378 1954.3186 125.0770 -206275.3764 17862.5405 0.0000 0.0000 34026.1733 -149466.1311 297.1590 -183492.3044 -149373.4952 298.6478 69.0594 100.6007 557955.2879 -0.7568 -0.6018 PRESSURE: 1682400 -393.015 -51.1865 -147.522 -51.1859 -84.2612 63.1631 -147.522 63.1646 61.6167 GPRESSURE: 1682400 -369.406 -27.0419 -84.9192 -11.3354 -95.3597 79.2912 -137.838 121.017 137.579 PRESSAVG: 1682400 11.1425 9.95075 -5.34174 9.95072 -33.3155 17.3185 -5.34177 17.3185 44.7985 GPRESSAVG: 1682400 11.4315 8.94953 -3.11441 8.51895 -34.2649 17.5172 -7.60333 17.4882 45.5977 TIMING: 1682400 CPU: 4885.45, 0.00288226/step Wall: 4885.45, 0.00288226/step, 2.65616 hours remaining, 203.039062 MB of memory in use. ENERGY: 1682400 714.2124 2100.1153 1984.4375 127.0766 -206153.8288 17696.9294 0.0000 0.0000 34187.1595 -149343.8979 298.5650 -183531.0575 -149244.0751 298.6081 -138.5532 -109.0623 560105.5364 7.5418 7.5881 PRESSURE: 1682600 -54.8484 -58.0138 -129.194 -58.0144 71.9726 -53.8617 -129.195 -53.8612 50.9885 GPRESSURE: 1682600 -30.1076 -26.5167 -66.1627 -83.505 123.58 52.3111 -181.573 -91.7011 88.9157 PRESSAVG: 1682600 -30.9217 -12.0293 -6.10889 -12.0293 -34.2874 -12.0377 -6.10884 -12.0377 13.1267 GPRESSAVG: 1682600 -30.8335 -10.4965 -9.51761 -10.9511 -34.405 -13.0564 -2.9886 -11.4945 13.3251 TIMING: 1682600 CPU: 4886.03, 0.00288345/step Wall: 4886.03, 0.00288345/step, 2.6571 hours remaining, 203.039062 MB of memory in use. ENERGY: 1682600 745.8704 2044.6638 1962.9508 107.6704 -206247.6342 17849.8071 0.0000 0.0000 34366.5112 -149170.1605 300.1313 -183536.6717 -149079.7024 299.1742 22.7043 60.7960 558104.7780 -17.3608 -17.3044 PRESSURE: 1682800 326.966 -113.727 94.9023 -113.727 -203.564 69.4571 94.9009 69.457 -76.1445 GPRESSURE: 1682800 347.49 -115.894 -30.3553 -124.642 -173.258 16.8712 237.623 34.8081 -40.6552 PRESSAVG: 1682800 -46.4392 9.17777 -1.27474 9.17773 1.95133 45.2028 -1.27466 45.2027 34.5964 GPRESSAVG: 1682800 -45.8895 9.57781 -1.21894 7.5319 1.6818 44.9128 -2.55106 45.1756 34.0901 TIMING: 1682800 CPU: 4886.6, 0.00288227/step Wall: 4886.6, 0.00288227/step, 2.65585 hours remaining, 203.039062 MB of memory in use. ENERGY: 1682800 746.8023 2100.8278 1979.3961 122.3291 -206218.0222 17864.4953 0.0000 0.0000 34219.9310 -149184.2407 298.8512 -183404.1716 -149088.4630 299.5095 15.7524 44.5255 558160.4649 -3.2972 -3.3725 PRESSURE: 1683000 101.897 -155.101 31.7604 -155.101 -197.178 -8.31328 31.7602 -8.31353 286.633 GPRESSURE: 1683000 137.373 -174.663 72.8983 -153.866 -112.309 71.8266 9.74081 -30.0853 282.568 PRESSAVG: 1683000 -5.2177 30.9467 67.9223 30.9467 -48.6464 -31.3431 67.9224 -31.343 65.5958 GPRESSAVG: 1683000 -3.74236 29.3441 68.4449 32.4707 -49.418 -30.6345 66.8551 -30.6813 64.1815 TIMING: 1683000 CPU: 4887.18, 0.00290727/step Wall: 4887.18, 0.00290727/step, 2.67873 hours remaining, 203.039062 MB of memory in use. ENERGY: 1683000 806.2268 2114.9670 1978.7353 120.4566 -206260.3087 17915.5824 0.0000 0.0000 34126.2074 -149198.1331 298.0327 -183324.3405 -149094.5204 299.2482 63.7838 102.5440 556923.2867 3.9106 3.6737 PRESSURE: 1683200 -283.583 -33.9253 14.8276 -33.9238 -145.238 -72.221 14.8275 -72.2189 -3.92002 GPRESSURE: 1683200 -309.351 -80.5654 -43.9739 25.8804 -83.614 -59.1348 5.96317 -57.5652 63.6723 PRESSAVG: 1683200 -7.03892 37.4245 5.16521 37.4244 -37.3865 0.397328 5.16513 0.397289 81.1223 GPRESSAVG: 1683200 -8.93875 38.1725 4.0828 38.4438 -35.4091 1.67697 5.41926 -0.388353 81.1691 TIMING: 1683200 CPU: 4887.76, 0.00289382/step Wall: 4887.76, 0.00289382/step, 2.66618 hours remaining, 203.039062 MB of memory in use. ENERGY: 1683200 758.3604 2129.4253 1965.3733 121.0915 -206158.5007 17584.8471 0.0000 0.0000 34399.9918 -149199.4112 300.4237 -183599.4031 -149104.7670 299.2031 -144.2470 -109.7641 557484.1933 12.2323 12.2738 PRESSURE: 1683400 313.785 -32.524 -8.6993 -32.5238 -66.9962 -31.5756 -8.70084 -31.5764 71.7968 GPRESSURE: 1683400 334.061 -28.1847 82.1918 -11.2033 -15.8122 -69.3242 -99.8035 20.0466 105.399 PRESSAVG: 1683400 116.757 -61.0845 1.6365 -61.0843 -66.5688 -18.3161 1.63654 -18.3161 -33.3822 GPRESSAVG: 1683400 116.952 -61.3863 6.95144 -62.0031 -67.1336 -19.178 -0.700777 -17.4557 -32.6554 TIMING: 1683400 CPU: 4888.34, 0.00288479/step Wall: 4888.34, 0.00288479/step, 2.6577 hours remaining, 203.039062 MB of memory in use. ENERGY: 1683400 748.6869 2082.5675 1957.1102 93.3348 -206495.8368 18042.2876 0.0000 0.0000 34134.3155 -149437.5344 298.1035 -183571.8499 -149336.6843 299.4224 106.1954 141.2157 556462.4326 5.6022 5.7212 PRESSURE: 1683600 140.304 -12.3688 -54.9662 -12.3691 90.9761 69.2012 -54.9674 69.2001 -91.7669 GPRESSURE: 1683600 162.837 17.7922 -70.7334 -71.8056 53.321 -17.9823 10.5198 88.5922 22.2809 PRESSAVG: 1683600 33.3359 34.7023 -23.5395 34.7022 -22.3403 10.9036 -23.5396 10.9036 25.4818 GPRESSAVG: 1683600 35.0862 30.7259 -26.8193 38.0491 -22.7939 7.92043 -20.7128 10.5791 24.5427 TIMING: 1683600 CPU: 4888.92, 0.00288772/step Wall: 4888.92, 0.00288772/step, 2.66023 hours remaining, 203.039062 MB of memory in use. ENERGY: 1683600 696.9819 2053.5212 1981.4377 118.4062 -206595.0614 18017.7178 0.0000 0.0000 34145.2059 -149581.7907 298.1986 -183726.9966 -149483.1231 298.3928 46.5045 79.4797 555962.3713 12.1591 12.2783 PRESSURE: 1683800 -95.5357 52.2455 26.5356 52.2445 -236.435 -83.4575 26.5366 -83.4604 -46.4164 GPRESSURE: 1683800 -43.0618 34.3158 18.8001 97.272 -202.335 -139.406 24.2577 -28.4996 -52.4019 PRESSAVG: 1683800 72.8987 36.9736 13.4673 36.9736 -65.0135 -45.0083 13.4673 -45.0082 14.4927 GPRESSAVG: 1683800 72.6469 39.6697 13.2413 35.1357 -64.9905 -43.8417 11.8442 -44.7178 15.1659 TIMING: 1683800 CPU: 4889.49, 0.0028745/step Wall: 4889.49, 0.0028745/step, 2.64789 hours remaining, 203.039062 MB of memory in use. ENERGY: 1683800 768.0214 2127.4788 1983.7033 111.9788 -206334.8422 17727.5332 0.0000 0.0000 34082.9810 -149533.1458 297.6551 -183616.1268 -149435.6444 298.1391 -126.1292 -99.2663 557598.7523 7.4593 7.6075 PRESSURE: 1684000 275.215 236.898 69.9845 236.898 -20.3359 234.137 69.9846 234.137 103.955 GPRESSURE: 1684000 304.861 208.882 135.712 284.939 29.0334 244.909 76.9167 172.09 121.476 PRESSAVG: 1684000 55.0977 62.8315 10.6971 62.8315 -27.5185 20.2443 10.6971 20.2444 18.6013 GPRESSAVG: 1684000 54.9454 63.3973 11.9043 62.9951 -26.9748 22.4737 10.7428 19.5016 18.3682 TIMING: 1684000 CPU: 4890.07, 0.00288361/step Wall: 4890.07, 0.00288361/step, 2.65613 hours remaining, 203.039062 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: 1684000 730.5927 2148.0758 1951.5825 109.2984 -206791.8593 18051.3269 0.0000 0.0000 34137.6205 -149663.3624 298.1323 -183800.9829 -149572.2285 298.2229 119.6113 151.7899 556184.0323 15.3935 15.4463 PRESSURE: 1684200 -119.608 -37.5527 109.126 -37.5531 -56.9655 -40.8571 109.126 -40.8552 -26.7834 GPRESSURE: 1684200 -77.2131 5.96306 100.602 -67.2104 -12.1051 -67.0642 89.0007 -30.0206 -20.3175 PRESSAVG: 1684200 8.15814 -8.73728 75.2117 -8.73722 15.2165 -2.14625 75.2116 -2.14628 -30.9897 GPRESSAVG: 1684200 8.60421 -8.23901 73.6582 -9.89486 13.6577 -2.80935 75.5336 -0.878775 -29.9142 TIMING: 1684200 CPU: 4890.65, 0.00290023/step Wall: 4890.65, 0.00290023/step, 2.67127 hours remaining, 203.039062 MB of memory in use. ENERGY: 1684200 738.9585 2067.7961 1972.5970 106.0877 -206585.1119 17918.7965 0.0000 0.0000 34125.8663 -149655.0098 298.0297 -183780.8761 -149561.9806 297.4141 -67.7855 -36.5452 558456.6623 -2.5383 -2.5508 LDB: ============= START OF LOAD BALANCING ============== 4894.11 LDB: ============== END OF LOAD BALANCING =============== 4894.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4894.11 LDB: ============= START OF LOAD BALANCING ============== 4894.4 LDB: Largest compute 4821 load 0.029592 is 25.1% of average load 0.117756 LDB: Average compute 0.001722 is 1.5% of average load 0.117756 LDB: TIME 4894.41 LOAD: AVG 0.117756 MAX 0.176737 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.914 MB LDB: TIME 4894.41 LOAD: AVG 0.117756 MAX 0.176737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: TIME 4894.41 LOAD: AVG 0.117756 MAX 0.176737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4894.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4894.41 PRESSURE: 1684400 3.15674 171.945 -61.6891 171.945 54.5285 118.528 -61.6885 118.527 -81.3594 GPRESSURE: 1684400 12.2617 170.573 -83.2359 167.22 117.857 198.106 -95.5884 77.7309 -57.8881 PRESSAVG: 1684400 62.1837 31.6866 69.7762 31.6866 -19.0542 29.2356 69.7762 29.2356 -41.6411 GPRESSAVG: 1684400 62.4495 30.2284 69.0118 33.0733 -19.3115 30.4461 71.0963 26.7036 -41.5916 TIMING: 1684400 CPU: 4891.24, 0.00294077/step Wall: 4891.24, 0.00294077/step, 2.70845 hours remaining, 203.371094 MB of memory in use. ENERGY: 1684400 766.4478 2133.1050 1968.3690 109.4852 -206799.7240 17958.1027 0.0000 0.0000 34367.5021 -149496.7122 300.1399 -183864.2143 -149404.4238 298.3614 -7.8914 24.0770 556845.8888 0.4961 0.5155 PRESSURE: 1684600 -52.9647 82.3288 248.374 82.3279 -44.8362 15.2563 248.374 15.2553 106.578 GPRESSURE: 1684600 -57.7184 126.207 212.619 60.1866 17.7544 1.25329 341.406 -14.4598 149.381 PRESSAVG: 1684600 -14.3673 -33.8973 -9.96513 -33.8972 -1.57313 16.8843 -9.96521 16.8842 -0.543651 GPRESSAVG: 1684600 -15.0644 -32.3519 -8.06606 -36.7706 0.0712498 15.9788 -9.89499 17.8043 -0.464162 TIMING: 1684600 CPU: 4891.81, 0.00288525/step Wall: 4891.81, 0.00288524/step, 2.65715 hours remaining, 203.371094 MB of memory in use. ENERGY: 1684600 726.0649 2086.1488 1962.7121 118.8104 -206739.1226 17949.2155 0.0000 0.0000 34304.1639 -149592.0070 299.5868 -183896.1709 -149497.3426 298.2495 2.9257 36.4723 557841.2831 -5.4947 -5.1524 PRESSURE: 1684800 -75.6504 100.467 -116.536 100.467 40.7633 -81.7553 -116.536 -81.7554 102.409 GPRESSURE: 1684800 -66.7184 208.691 -116.684 -42.5596 128.19 -1.33274 -96.2832 -91.6372 104.534 PRESSAVG: 1684800 -9.90667 2.57351 13.7698 2.57352 -11.3575 31.5978 13.7699 31.5977 39.0558 GPRESSAVG: 1684800 -8.36518 1.77736 13.1116 2.30141 -11.8334 32.3846 12.0596 32.3906 38.0021 TIMING: 1684800 CPU: 4892.4, 0.00291483/step Wall: 4892.4, 0.00291484/step, 2.68424 hours remaining, 203.660156 MB of memory in use. ENERGY: 1684800 740.1312 2028.7528 1974.6045 118.4151 -206366.0759 17944.5761 0.0000 0.0000 33985.9025 -149573.6937 296.8073 -183559.5962 -149474.8531 298.0437 22.5073 55.3351 558109.6921 5.9306 5.9345 PRESSURE: 1685000 -141.839 -78.3935 44.9028 -78.393 169.666 126.204 44.9023 126.202 222.176 GPRESSURE: 1685000 -78.0802 -54.5108 9.67575 -115.151 209.361 239.192 77.1328 77.0016 207.55 PRESSAVG: 1685000 6.36306 -35.6251 -17.9167 -35.6251 -6.89461 37.4878 -17.9167 37.4878 -0.246154 GPRESSAVG: 1685000 5.16292 -35.108 -17.8276 -35.8921 -6.42771 36.7902 -16.5611 37.2359 1.15082 TIMING: 1685000 CPU: 4892.98, 0.0029044/step Wall: 4892.98, 0.0029044/step, 2.67447 hours remaining, 203.660156 MB of memory in use. ENERGY: 1685000 772.2585 2095.7097 1955.5590 107.9326 -206707.0064 18151.1133 0.0000 0.0000 34072.9912 -149551.4420 297.5679 -183624.4332 -149460.8341 297.7680 83.3344 112.9437 557538.2443 -0.2592 -0.0380 PRESSURE: 1685200 -65.5774 -136.889 48.2354 -136.89 -20.6906 138.367 48.2346 138.368 -96.0222 GPRESSURE: 1685200 -64.1359 -92.8885 -47.3294 -202.708 -42.08 120.49 89.7781 167.91 6.85242 PRESSAVG: 1685200 -23.3323 10.1316 -36.368 10.1315 -20.8032 22.1837 -36.368 22.1837 65.8378 GPRESSAVG: 1685200 -23.0518 7.90209 -37.7124 12.9197 -21.1422 22.3155 -37.3064 22.5739 66.0212 TIMING: 1685200 CPU: 4893.55, 0.00287873/step Wall: 4893.55, 0.00287873/step, 2.65067 hours remaining, 203.917969 MB of memory in use. ENERGY: 1685200 771.1605 2099.5787 1950.6076 124.4219 -206456.4823 17838.8704 0.0000 0.0000 34123.5388 -149548.3045 298.0094 -183671.8432 -149446.4873 298.1545 -60.7634 -33.1212 557117.1960 7.2341 7.2757 PRESSURE: 1685400 -324.604 -83.3328 7.0581 -83.3323 -219.852 90.9715 7.05897 90.9719 24.3726 GPRESSURE: 1685400 -301.64 -129.441 -74.1008 -75.4483 -164.97 149.318 39.8824 -35.7684 32.576 PRESSAVG: 1685400 -87.6633 -25.4562 -31.2186 -25.4562 -40.4586 21.7753 -31.2187 21.7753 100.543 GPRESSAVG: 1685400 -87.9181 -23.3229 -28.7832 -26.7022 -38.8738 22.4533 -31.3662 21.698 98.9604 TIMING: 1685400 CPU: 4894.13, 0.00289547/step Wall: 4894.13, 0.00289547/step, 2.66593 hours remaining, 203.917969 MB of memory in use. ENERGY: 1685400 766.0423 2126.5338 1947.9755 118.8135 -206465.1795 17863.7309 0.0000 0.0000 34208.0122 -149434.0712 298.7471 -183642.0835 -149334.6524 298.4068 -173.3613 -144.6780 558653.8872 -9.1928 -9.2772 PRESSURE: 1685600 175.726 46.5181 -127.486 46.5181 -92.9668 -97.3587 -127.486 -97.3585 283.133 GPRESSURE: 1685600 236.689 39.2718 -56.8286 37.3204 -53.4007 -105.597 -143.389 -4.46439 262.897 PRESSAVG: 1685600 -48.2777 61.7016 -32.4125 61.7015 0.761475 25.1432 -32.4126 25.1432 42.9459 GPRESSAVG: 1685600 -48.6647 62.4766 -32.6933 62.1508 -0.215675 23.9035 -34.2393 22.8963 44.1202 TIMING: 1685600 CPU: 4894.71, 0.00288615/step Wall: 4894.71, 0.00288615/step, 2.65718 hours remaining, 203.917969 MB of memory in use. ENERGY: 1685600 722.1467 2047.4905 1961.4879 108.6494 -206063.7527 17833.1808 0.0000 0.0000 34086.5559 -149304.2415 297.6864 -183390.7974 -149204.2352 298.5691 121.9641 148.7286 558167.5082 -1.5234 -1.5867 PRESSURE: 1685800 -91.1787 25.3834 -139.063 25.3838 194.054 87.4751 -139.062 87.4758 7.96468 GPRESSURE: 1685800 -58.7047 -49.4951 -211.219 95.4472 197.787 102.63 -70.1475 73.8332 46.231 PRESSAVG: 1685800 -69.4544 55.1404 -43.7037 55.1404 24.1339 1.87323 -43.7037 1.87318 22.8866 GPRESSAVG: 1685800 -69.6995 53.825 -45.122 56.2208 24.3004 0.39977 -43.2015 4.13565 22.6102 TIMING: 1685800 CPU: 4895.29, 0.00289395/step Wall: 4895.29, 0.00289395/step, 2.6642 hours remaining, 203.917969 MB of memory in use. ENERGY: 1685800 742.6837 2098.4962 1955.0545 109.3484 -206392.8049 18062.8612 0.0000 0.0000 34252.4697 -149171.8912 299.1353 -183424.3609 -149074.5129 299.3306 36.9467 61.7712 559274.5988 -7.4780 -7.5963 PRESSURE: 1686000 205.932 11.5871 64.165 11.589 301.982 36.1288 64.166 36.1294 49.5565 GPRESSURE: 1686000 244.697 64.4112 99.5551 25.7351 364.177 -6.05978 81.3956 2.56288 49.7707 PRESSAVG: 1686000 12.4731 -17.9176 -33.4151 -17.9177 -22.0201 -0.183637 -33.4151 -0.18371 15.3637 GPRESSAVG: 1686000 12.5147 -16.3174 -33.638 -20.384 -20.8917 0.85542 -31.3419 -0.805017 14.2069 TIMING: 1686000 CPU: 4895.87, 0.00291734/step Wall: 4895.87, 0.00291734/step, 2.68557 hours remaining, 203.917969 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: 1686000 698.6512 2058.6214 1979.4954 108.7702 -206209.1333 18015.6297 0.0000 0.0000 34258.8403 -149089.1251 299.1910 -183347.9654 -148999.1161 299.8056 185.8234 219.5484 557733.3970 1.9389 1.9433 PRESSURE: 1686200 -68.939 30.2607 153.538 30.2607 -165.907 74.9798 153.538 74.98 19.6322 GPRESSURE: 1686200 -30.7169 22.8302 118.697 -1.53918 -128.545 146.587 125.212 -34.8892 51.7209 PRESSAVG: 1686200 9.78826 -2.69502 -40.4962 -2.69493 64.0473 -10.3666 -40.4962 -10.3666 -26.7652 GPRESSAVG: 1686200 9.79307 -3.90503 -36.9045 -1.95243 63.622 -9.34903 -41.064 -11.9566 -26.4787 TIMING: 1686200 CPU: 4896.45, 0.00291124/step Wall: 4896.45, 0.00291124/step, 2.67979 hours remaining, 203.917969 MB of memory in use. ENERGY: 1686200 744.6766 2108.7047 1954.3425 114.6232 -206013.5909 17828.0209 0.0000 0.0000 34235.5446 -149027.6784 298.9875 -183263.2230 -148929.2937 300.0780 -71.7378 -35.8469 558417.7818 15.6901 15.6455 PRESSURE: 1686400 0.567793 63.7343 -137.409 63.7344 -112.46 141.431 -137.408 141.429 11.4805 GPRESSURE: 1686400 6.42444 -79.0666 -106.679 100.245 -144.41 99.4063 -202.323 229.853 144.017 PRESSAVG: 1686400 -15.897 14.4215 34.9804 14.4215 -28.7754 30.8327 34.9805 30.8327 34.7262 GPRESSAVG: 1686400 -15.752 13.7106 33.1096 15.8899 -28.9798 28.7267 34.6616 33.862 35.1153 TIMING: 1686400 CPU: 4897.03, 0.00289673/step Wall: 4897.03, 0.00289673/step, 2.66628 hours remaining, 203.917969 MB of memory in use. ENERGY: 1686400 741.4166 2133.9093 1982.9754 112.1559 -206134.9441 17990.6279 0.0000 0.0000 34060.8489 -149113.0101 297.4619 -183173.8589 -149022.2206 299.4610 -33.4705 2.0106 560143.1628 -3.3154 -3.2055 PRESSURE: 1686600 -219.225 78.8561 -102.468 78.8564 55.7047 -32.5505 -102.468 -32.5499 92.0694 GPRESSURE: 1686600 -201.983 18.4349 -121.171 127.887 192.479 -24.245 -134.539 -34.1783 26.8556 PRESSAVG: 1686600 -29.5226 45.8835 -40.2857 45.8835 -59.0685 14.3799 -40.2857 14.3799 71.9421 GPRESSAVG: 1686600 -30.4895 47.7041 -40.2814 44.5619 -57.8833 15.8429 -42.7314 14.8118 71.9735 TIMING: 1686600 CPU: 4897.61, 0.00288464/step Wall: 4897.61, 0.00288464/step, 2.65499 hours remaining, 203.917969 MB of memory in use. ENERGY: 1686600 733.2078 2078.0114 1986.3236 104.3616 -205840.9412 17705.3858 0.0000 0.0000 34071.8548 -149161.7963 297.5580 -183233.6511 -149061.5330 299.1067 -23.8169 5.7838 559109.7131 -5.5497 -5.4664 PRESSURE: 1686800 203.9 106.403 51.8012 106.403 17.7754 -96.7749 51.8009 -96.7757 -57.1605 GPRESSURE: 1686800 228.964 176.874 200.459 41.1856 67.2685 -109.361 -8.47063 -120.199 -39.4948 PRESSAVG: 1686800 -29.0322 42.4883 58.4009 42.4881 18.5954 -28.0486 58.4009 -28.0486 20.0506 GPRESSAVG: 1686800 -27.7048 41.372 60.3988 42.5718 17.6643 -28.2265 60.8049 -30.1979 18.7523 TIMING: 1686800 CPU: 4898.19, 0.00288965/step Wall: 4898.19, 0.00288965/step, 2.65944 hours remaining, 203.917969 MB of memory in use. ENERGY: 1686800 748.6795 2061.5750 1962.8951 112.5943 -206064.4615 17928.5711 0.0000 0.0000 34210.0179 -149040.1286 298.7646 -183250.1466 -148942.8655 297.9657 54.8382 85.5793 557875.2453 3.2046 2.9039 PRESSURE: 1687000 -275.111 104.712 -2.12241 104.712 -195.446 -180.544 -2.12244 -180.544 -127.328 GPRESSURE: 1687000 -289.472 171.445 -0.421509 71.2248 -128.398 -279.371 -9.15779 -172.986 -71.4763 PRESSAVG: 1687000 38.288 0.401189 9.96323 0.401177 -37.7723 -65.636 9.96314 -65.6359 -9.22735 GPRESSAVG: 1687000 37.2697 -0.605786 9.06764 0.770813 -38.0758 -66.1407 10.9644 -66.229 -8.00159 TIMING: 1687000 CPU: 4898.77, 0.00289651/step Wall: 4898.77, 0.00289651/step, 2.66559 hours remaining, 203.917969 MB of memory in use. ENERGY: 1687000 758.7880 2051.6815 1950.1779 117.8149 -206213.3816 17784.4367 0.0000 0.0000 34490.6955 -149059.7870 301.2158 -183550.4825 -148964.9645 299.3118 -199.2950 -163.1154 560013.1909 -2.9039 -2.9359 PRESSURE: 1687200 -12.8251 -16.9145 -115.728 -16.916 -59.6102 -40.7387 -115.726 -40.7377 -40.501 GPRESSURE: 1687200 14.9065 -43.4719 -139.536 -0.834568 -60.6314 36.5952 -92.2225 -16.9079 27.4107 PRESSAVG: 1687200 -19.1447 12.9617 12.6978 12.9617 -39.2242 -15.3135 12.6977 -15.3135 91.1613 GPRESSAVG: 1687200 -18.5204 12.0577 11.6421 14.855 -38.589 -14.2787 12.1132 -14.8904 89.5726 TIMING: 1687200 CPU: 4899.35, 0.00289318/step Wall: 4899.35, 0.00289318/step, 2.66237 hours remaining, 203.917969 MB of memory in use. ENERGY: 1687200 783.4878 2050.7599 1952.0971 113.6522 -206124.1891 17758.7236 0.0000 0.0000 34421.1765 -149044.2921 300.6087 -183465.4685 -148940.6267 300.0573 -37.6454 -6.1047 559183.8111 10.9308 10.8211 PRESSURE: 1687400 128.597 0.168731 83.7603 0.168168 186.126 -119.379 83.761 -119.378 3.88261 GPRESSURE: 1687400 153.848 69.0107 113.005 -10.4754 167.883 -58.2979 119.359 -123.421 85.9024 PRESSAVG: 1687400 10.7407 1.77939 3.83423 1.77935 -5.1572 -21.8373 3.83419 -21.8373 -23.0114 GPRESSAVG: 1687400 9.86473 2.7002 4.16892 -0.642179 -4.54248 -20.4279 5.31809 -22.4193 -22.6854 TIMING: 1687400 CPU: 4899.92, 0.00289115/step Wall: 4899.92, 0.00289115/step, 2.66034 hours remaining, 203.917969 MB of memory in use. ENERGY: 1687400 719.3249 2105.4900 1937.2896 125.8633 -206372.9643 17886.9780 0.0000 0.0000 34447.2904 -149150.7282 300.8368 -183598.0185 -149053.1365 298.9646 106.2020 135.8778 557239.7413 -5.8093 -5.7877 PRESSURE: 1687600 6.19149 -207.895 50.4127 -207.894 139.577 -21.5189 50.4132 -21.5197 -37.8186 GPRESSURE: 1687600 31.7494 -195.16 -10.5359 -215.356 193.937 -36.9068 95.7374 -32.7472 -16.7197 PRESSAVG: 1687600 27.8227 -25.1848 17.6399 -25.1849 -8.35127 -6.46577 17.6398 -6.4658 -10.2114 GPRESSAVG: 1687600 28.1142 -25.5119 16.5814 -24.1082 -9.99238 -7.63583 17.0073 -4.55914 -9.5292 TIMING: 1687600 CPU: 4900.5, 0.00288715/step Wall: 4900.5, 0.00288715/step, 2.6565 hours remaining, 203.917969 MB of memory in use. ENERGY: 1687600 745.6760 2051.8119 1931.5117 116.0278 -206301.9979 18003.4807 0.0000 0.0000 34155.0209 -149298.4688 298.2843 -183453.4898 -149191.3392 299.3479 35.9832 69.6557 557644.2346 3.0867 2.8642 PRESSURE: 1687800 -21.9028 76.0108 -70.4809 76.0107 49.4932 -107.829 -70.4829 -107.828 303.764 GPRESSURE: 1687800 -5.45029 114.284 -29.9369 21.0015 79.9178 -163.112 -121.807 -56.2806 359.638 PRESSAVG: 1687800 -8.1242 11.8322 3.39379 11.8322 5.87129 -35.7253 3.39379 -35.7253 -11.8498 GPRESSAVG: 1687800 -8.5153 12.4931 3.40312 13.046 6.60554 -36.6723 1.86061 -37.4429 -12.003 TIMING: 1687800 CPU: 4901.08, 0.0028835/step Wall: 4901.08, 0.0028835/step, 2.65298 hours remaining, 203.917969 MB of memory in use. ENERGY: 1687800 723.7464 2114.4442 1943.8229 114.6031 -206319.2616 17896.9856 0.0000 0.0000 34247.1299 -149278.5295 299.0887 -183525.6594 -149180.4007 299.0997 110.4515 144.7019 556188.1472 -4.7009 -4.6376 PRESSURE: 1688000 -250.966 -94.8826 -123.542 -94.8826 -318.266 -37.9797 -123.54 -37.9823 113.394 GPRESSURE: 1688000 -252.554 -146.307 -132.201 -64.5326 -201.867 11.6163 -153.348 0.85364 92.3418 PRESSAVG: 1688000 11.8983 -7.42631 -21.5501 -7.4263 -16.6633 -32.4414 -21.5501 -32.4413 4.6689 GPRESSAVG: 1688000 12.7084 -8.27332 -20.3963 -7.52089 -16.7792 -30.0046 -22.3262 -32.7806 4.37245 TIMING: 1688000 CPU: 4901.66, 0.0028901/step Wall: 4901.66, 0.0028901/step, 2.65889 hours remaining, 203.917969 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: 1688000 751.6597 2034.8974 1970.1971 115.6488 -205969.8562 17626.4938 0.0000 0.0000 34152.7527 -149318.2067 298.2645 -183470.9595 -149225.3751 298.1156 -151.9458 -120.6932 558202.5038 -0.0320 0.1006 PRESSURE: 1688200 -36.5832 -15.1617 59.9701 -15.1627 191.523 -56.9195 59.9694 -56.9185 -157.099 GPRESSURE: 1688200 32.3985 11.7433 60.3667 -33.4962 225.823 -162.907 32.117 45.8878 -179.633 PRESSAVG: 1688200 22.8825 -8.67905 -20.5789 -8.67911 -24.4178 -32.278 -20.5789 -32.278 -18.6203 GPRESSAVG: 1688200 21.9738 -9.01873 -20.4812 -10.4508 -23.7249 -35.5382 -19.2628 -31.4431 -18.1621 TIMING: 1688200 CPU: 4902.24, 0.0028956/step Wall: 4902.24, 0.0028956/step, 2.66379 hours remaining, 203.917969 MB of memory in use. ENERGY: 1688200 699.9253 2101.1595 1946.7237 101.2599 -206203.1860 17794.7662 0.0000 0.0000 34163.5732 -149395.7782 298.3590 -183559.3513 -149294.7745 298.7870 -0.7197 26.1960 557605.9969 -6.7185 -6.6377 LDB: ============= START OF LOAD BALANCING ============== 4905.7 LDB: ============== END OF LOAD BALANCING =============== 4905.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4905.7 LDB: ============= START OF LOAD BALANCING ============== 4905.99 LDB: Largest compute 4821 load 0.029182 is 24.8% of average load 0.117739 LDB: Average compute 0.001723 is 1.5% of average load 0.117739 LDB: TIME 4905.99 LOAD: AVG 0.117739 MAX 0.176742 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.336 MB LDB: TIME 4905.99 LOAD: AVG 0.117739 MAX 0.176742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: TIME 4905.99 LOAD: AVG 0.117739 MAX 0.176742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4905.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4906 PRESSURE: 1688400 -375.089 -103.274 64.8489 -103.273 93.453 79.0951 64.8502 79.0926 -180.63 GPRESSURE: 1688400 -353.477 -51.3795 86.9433 -103.844 122.313 82.8566 76.5838 44.0029 -144.616 PRESSAVG: 1688400 -61.1013 6.99034 4.98997 6.99032 38.8113 -69.1524 4.99005 -69.1524 16.0429 GPRESSAVG: 1688400 -62.6537 7.45057 3.81726 8.49103 39.5026 -68.0059 5.45608 -68.205 16.1624 TIMING: 1688400 CPU: 4902.82, 0.00293336/step Wall: 4902.82, 0.00293336/step, 2.69836 hours remaining, 206.136719 MB of memory in use. ENERGY: 1688400 766.9558 2053.9279 1961.1729 102.0322 -206273.6528 17718.7098 0.0000 0.0000 34262.9013 -149407.9528 299.2264 -183670.8541 -149313.4018 298.3989 -154.0886 -125.2600 557317.7331 -2.0824 -2.3296 PRESSURE: 1688600 107.713 11.3697 64.743 11.369 308.968 -198.2 64.743 -198.199 187.728 GPRESSURE: 1688600 107.554 -19.0008 55.4492 -13.3684 386.058 -191.751 46.5881 -195.867 209.543 PRESSAVG: 1688600 -72.0946 14.0143 -27.572 14.0144 87.2887 -41.7047 -27.5719 -41.7047 18.1235 GPRESSAVG: 1688600 -70.6725 13.9547 -25.3308 14.127 86.34 -40.8224 -28.8659 -43.3241 17.9901 TIMING: 1688600 CPU: 4903.4, 0.00289508/step Wall: 4903.4, 0.00289508/step, 2.66299 hours remaining, 206.636719 MB of memory in use. ENERGY: 1688600 743.1619 2033.0368 1992.7780 117.1893 -206557.5664 18070.8043 0.0000 0.0000 34292.3091 -149308.2871 299.4833 -183600.5962 -149209.1271 298.3829 201.4696 234.3848 556426.8746 11.1059 11.2192 PRESSURE: 1688800 -95.3002 141.835 -183.869 141.834 -135.968 -15.9367 -183.869 -15.9363 -55.876 GPRESSURE: 1688800 -80.5868 152.584 -138.161 106.766 -146.222 -93.3636 -273.097 -4.07411 36.9442 PRESSAVG: 1688800 -35.716 19.042 -28.5488 19.0421 28.912 -47.9133 -28.5488 -47.9133 -14.093 GPRESSAVG: 1688800 -36.0333 18.6411 -30.3021 18.9181 28.7163 -47.3242 -28.5347 -48.2267 -13.912 TIMING: 1688800 CPU: 4903.98, 0.00289724/step Wall: 4903.98, 0.00289724/step, 2.66482 hours remaining, 206.835938 MB of memory in use. ENERGY: 1688800 732.6985 2054.0096 1981.2970 104.1875 -205970.4750 17623.2875 0.0000 0.0000 34083.6853 -149391.3097 297.6613 -183474.9950 -149295.2214 298.7220 -95.7146 -63.2883 558499.7287 -6.9657 -7.0764 PRESSURE: 1689000 -170.484 64.0757 30.7088 64.0759 -143.32 82.2245 30.7075 82.2235 -56.9037 GPRESSURE: 1689000 -80.9861 48.5217 86.5613 100.598 -112.844 69.7942 28.9582 -2.96428 -70.7523 PRESSAVG: 1689000 -7.66562 31.7654 -59.5829 31.7654 -52.8659 -45.8684 -59.5829 -45.8684 70.4469 GPRESSAVG: 1689000 -6.49007 34.3889 -58.0333 29.1865 -52.6592 -46.4755 -57.1931 -45.2097 69.3875 TIMING: 1689000 CPU: 4904.56, 0.00290181/step Wall: 4904.56, 0.00290181/step, 2.66886 hours remaining, 206.894531 MB of memory in use. ENERGY: 1689000 745.7684 2000.5363 1967.9566 109.1844 -205839.6869 17637.4774 0.0000 0.0000 34041.7517 -149337.0123 297.2951 -183378.7639 -149241.9058 298.9948 -123.5691 -88.1941 556857.5131 3.3051 3.4127 PRESSURE: 1689200 88.656 3.84465 -80.3068 3.84384 157.93 -115.624 -80.3072 -115.625 -160.104 GPRESSURE: 1689200 106.836 19.9884 -47.0791 -18.8462 192.66 -119.057 -110.399 -56.0584 -115.225 PRESSAVG: 1689200 5.07902 13.2735 48.4438 13.2735 -2.20573 5.99935 48.4438 5.99942 2.8402 GPRESSAVG: 1689200 4.79469 10.9105 47.9903 16.5163 -2.34461 7.09136 46.5331 7.12305 2.88368 TIMING: 1689200 CPU: 4905.13, 0.00286509/step Wall: 4905.13, 0.00286509/step, 2.63493 hours remaining, 206.894531 MB of memory in use. ENERGY: 1689200 743.3760 2042.9432 1928.2956 109.6285 -205992.2429 17783.7780 0.0000 0.0000 34285.7280 -149098.4935 299.4258 -183384.2215 -149005.2386 298.7794 28.8274 61.4239 557517.6241 1.9045 1.7779 PRESSURE: 1689400 -239.122 80.1271 120.097 80.1276 225.632 27.5639 120.098 27.5645 -86.7875 GPRESSURE: 1689400 -186.79 64.6889 155.168 117.947 254.647 -4.979 15.7748 33.1166 -79.1775 PRESSAVG: 1689400 12.479 54.1977 2.01034 54.1976 10.7051 -15.945 2.01038 -15.9449 -25.7917 GPRESSAVG: 1689400 12.2823 54.3991 2.74461 54.6744 11.0101 -17.299 0.943617 -16.888 -26.1079 TIMING: 1689400 CPU: 4905.71, 0.00289188/step Wall: 4905.71, 0.00289188/step, 2.6594 hours remaining, 206.894531 MB of memory in use. ENERGY: 1689400 716.4236 2033.8755 1964.1636 108.0498 -206201.9718 17831.5942 0.0000 0.0000 34338.8090 -149209.0561 299.8894 -183547.8651 -149111.2139 299.1718 -33.4261 -3.7733 556808.0048 -0.8692 -0.9385 PRESSURE: 1689600 -26.298 40.2224 -28.6392 40.2236 17.5233 13.9693 -28.6397 13.9685 77.0812 GPRESSURE: 1689600 23.0478 44.9254 -37.9609 21.0582 93.7267 -90.0808 -15.459 76.6708 38.3611 PRESSAVG: 1689600 51.0894 43.0218 65.3081 43.0219 0.944424 -26.1811 65.3081 -26.1812 -41.8364 GPRESSAVG: 1689600 51.7817 45.7811 65.215 40.4147 0.587886 -25.5325 64.81 -26.0644 -42.0508 TIMING: 1689600 CPU: 4906.29, 0.0028978/step Wall: 4906.29, 0.0028978/step, 2.66469 hours remaining, 206.894531 MB of memory in use. ENERGY: 1689600 711.9504 2100.2132 1983.9180 119.6979 -206065.6678 17784.8074 0.0000 0.0000 34061.1865 -149303.8944 297.4648 -183365.0809 -149208.7524 298.7750 22.7688 51.7119 557403.3022 3.3992 3.4396 PRESSURE: 1689800 -119.234 72.3826 145.357 72.3806 146.486 -236.59 145.358 -236.591 -107.913 GPRESSURE: 1689800 -52.6302 54.1087 4.7943 34.9491 153.525 -159.312 172.14 -274.476 -79.5831 PRESSAVG: 1689800 33.2831 21.0912 -10.1344 21.0912 39.1594 0.684698 -10.1343 0.684811 -12.1548 GPRESSAVG: 1689800 32.6317 19.2113 -11.0294 22.6938 38.6202 0.950713 -9.60206 0.967087 -10.7759 TIMING: 1689800 CPU: 4906.87, 0.00289994/step Wall: 4906.87, 0.00289994/step, 2.66649 hours remaining, 206.953125 MB of memory in use. ENERGY: 1689800 728.8765 2102.8636 1982.1394 121.3516 -206327.7014 17920.5476 0.0000 0.0000 34173.6835 -149298.2392 298.4473 -183471.9227 -149194.5151 298.8531 -26.8870 7.1038 557608.4315 20.0959 20.1587 PRESSURE: 1690000 -160.907 -61.095 -44.4083 -61.0935 132.573 84.2186 -44.408 84.2164 -225.351 GPRESSURE: 1690000 -174.297 -52.9695 -70.5009 -86.5147 203.997 125.062 -1.24659 59.198 -189.652 PRESSAVG: 1690000 4.13959 12.1299 58.9308 12.1299 29.2848 2.05682 58.9309 2.05667 -8.24818 GPRESSAVG: 1690000 3.78423 12.3233 58.1762 10.9915 30.5006 1.52411 59.7042 3.01604 -8.94299 TIMING: 1690000 CPU: 4907.45, 0.00289559/step Wall: 4907.45, 0.00289559/step, 2.66234 hours remaining, 206.953125 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: 1690000 732.6715 2092.4133 1941.8141 110.0549 -205960.6392 17609.3175 0.0000 0.0000 34162.3302 -149312.0376 298.3481 -183474.3679 -149210.4025 298.8429 -84.5614 -53.3172 557128.8528 8.3921 8.4473 PRESSURE: 1690200 -104.628 179.182 -28.7522 179.181 43.7806 106.59 -28.752 106.591 -322.154 GPRESSURE: 1690200 -106.799 155.569 -93.8564 144.477 109.865 65.898 3.0312 89.0949 -286.477 PRESSAVG: 1690200 2.67004 20.646 5.45624 20.6459 -9.95114 -7.62536 5.45631 -7.62538 -10.274 GPRESSAVG: 1690200 1.7438 22.3082 5.94996 19.5409 -10.1298 -9.09905 6.53574 -7.82079 -8.8399 TIMING: 1690200 CPU: 4908.03, 0.00288795/step Wall: 4908.03, 0.00288795/step, 2.65515 hours remaining, 206.953125 MB of memory in use. ENERGY: 1690200 734.8040 2103.8297 1944.6041 114.5307 -206173.4067 17685.7852 0.0000 0.0000 34316.5065 -149273.3466 299.6946 -183589.8531 -149186.5538 299.2932 -127.6670 -94.4703 557565.6337 -5.8517 -5.7420 PRESSURE: 1690400 -30.4987 -69.6846 88.2707 -69.6856 -341.041 -99.2869 88.2713 -99.2884 -136.451 GPRESSURE: 1690400 -40.5765 -88.1366 49.5828 -42.7952 -264.192 -89.1624 109.446 -58.4876 -115.754 PRESSAVG: 1690400 -23.0987 55.6613 4.47883 55.6613 40.1311 62.5226 4.47887 62.5226 12.3614 GPRESSAVG: 1690400 -21.3573 53.5268 6.39867 58.6427 39.2114 62.8972 1.51442 62.4002 11.4193 TIMING: 1690400 CPU: 4908.6, 0.00287412/step Wall: 4908.6, 0.00287412/step, 2.64228 hours remaining, 206.953125 MB of memory in use. ENERGY: 1690400 752.9059 2083.6617 1940.5372 118.0783 -205808.6308 17632.9409 0.0000 0.0000 33934.1099 -149346.3968 296.3550 -183280.5067 -149256.1784 298.9208 -169.3302 -140.1743 558103.7144 9.7979 9.7578 PRESSURE: 1690600 -32.8355 25.9018 37.4038 25.9016 58.617 80.2461 37.4046 80.2455 -23.2981 GPRESSURE: 1690600 -8.78431 19.8611 -6.55187 0.0972011 82.3266 109.875 72.7285 37.3821 21.0219 PRESSAVG: 1690600 31.0431 24.8579 10.506 24.8578 24.0205 45.7003 10.506 45.7003 -13.2114 GPRESSAVG: 1690600 30.2413 26.6611 9.41184 21.5907 24.8197 47.1647 12.1413 43.2501 -13.0278 TIMING: 1690600 CPU: 4909.19, 0.00290694/step Wall: 4909.19, 0.00290694/step, 2.67228 hours remaining, 206.953125 MB of memory in use. ENERGY: 1690600 752.5258 2044.3486 1938.5370 114.6729 -206360.0928 18011.1274 0.0000 0.0000 34133.0102 -149365.8707 298.0921 -183498.8810 -149268.6817 298.5937 0.8278 31.5214 558278.7800 13.9507 14.0111 PRESSURE: 1690800 27.7964 73.6798 14.0905 73.6794 -60.8771 69.3388 14.0895 69.3395 -279.91 GPRESSURE: 1690800 88.5464 44.3088 73.3181 136.179 -53.3786 -45.8952 45.799 155.05 -249.121 PRESSAVG: 1690800 -51.3169 -7.54913 7.20519 -7.54918 103.205 21.5093 7.20511 21.5093 -6.17936 GPRESSAVG: 1690800 -51.4396 -8.22686 7.60525 -6.66892 103.927 21.9155 6.03966 21.5471 -6.55343 TIMING: 1690800 CPU: 4909.76, 0.00288567/step Wall: 4909.76, 0.00288567/step, 2.65257 hours remaining, 206.953125 MB of memory in use. ENERGY: 1690800 730.8491 2139.6995 1947.7902 120.9428 -206160.6107 17687.4808 0.0000 0.0000 34271.7195 -149262.1289 299.3035 -183533.8484 -149164.5984 299.1979 -104.3303 -71.3177 557331.5687 15.2363 15.3114 PRESSURE: 1691000 76.4102 -11.7244 206.21 -11.7241 -89.0526 -19.2436 206.209 -19.2428 -157.127 GPRESSURE: 1691000 109.833 -0.840272 139.754 -68.0442 -42.4916 -62.8273 167.66 -68.8828 -130.225 PRESSAVG: 1691000 49.0377 32.5891 4.79001 32.5892 -0.203557 33.365 4.78996 33.3649 -75.8974 GPRESSAVG: 1691000 48.4745 33.9008 3.39526 33.4332 -0.956415 30.9231 5.36187 36.6644 -75.2007 TIMING: 1691000 CPU: 4910.34, 0.00288531/step Wall: 4910.34, 0.00288531/step, 2.65208 hours remaining, 206.953125 MB of memory in use. ENERGY: 1691000 724.9128 2103.3356 1949.5032 108.5096 -206034.8564 17511.2440 0.0000 0.0000 34451.8652 -149185.4860 300.8767 -183637.3513 -149089.1677 299.7242 -56.5898 -20.9613 556733.2188 -9.0211 -9.2275 PRESSURE: 1691200 -109.598 -12.2002 7.78002 -12.2001 -51.5105 -116.946 7.7802 -116.945 87.077 GPRESSURE: 1691200 -78.5327 -33.7843 -31.9264 32.4204 -20.0863 -70.9585 34.765 -142.716 117.199 PRESSAVG: 1691200 12.6925 -22.0422 4.62612 -22.0422 -14.0349 -4.81165 4.62616 -4.81173 0.4979 GPRESSAVG: 1691200 12.9621 -24.3749 5.00945 -21.4444 -13.808 -5.42861 5.47618 -4.56688 0.189625 TIMING: 1691200 CPU: 4910.92, 0.00288925/step Wall: 4910.92, 0.00288925/step, 2.65554 hours remaining, 206.953125 MB of memory in use. ENERGY: 1691200 728.7578 2080.3294 1963.4257 113.4922 -205799.6948 17712.2118 0.0000 0.0000 34098.8002 -149102.6776 297.7933 -183201.4778 -149005.4428 299.5432 -24.6772 6.1934 557070.7040 -0.2815 -0.2188 PRESSURE: 1691400 -285.127 -173.52 149.629 -173.521 -6.51087 68.0646 149.629 68.0631 96.8526 GPRESSURE: 1691400 -247.327 -172.143 107.084 -122.994 22.8134 7.11665 196.584 85.448 127.539 PRESSAVG: 1691400 -68.4584 -5.92305 38.6711 -5.92294 -19.9938 -4.98998 38.6711 -4.98993 93.5131 GPRESSAVG: 1691400 -69.2441 -5.08411 40.3497 -5.46152 -21.0118 -4.5535 38.2711 -5.33493 95.0657 TIMING: 1691400 CPU: 4911.49, 0.00288628/step Wall: 4911.49, 0.00288628/step, 2.65265 hours remaining, 206.953125 MB of memory in use. ENERGY: 1691400 747.4324 2067.4588 1972.3882 118.8449 -206047.2117 17607.7994 0.0000 0.0000 34386.0203 -149147.2677 300.3017 -183533.2879 -149061.6264 299.3609 -64.9283 -32.3248 555939.1942 1.6870 1.6033 PRESSURE: 1691600 16.1869 132.014 -37.1346 132.014 -38.419 86.4806 -37.1356 86.4804 -19.8605 GPRESSURE: 1691600 61.6485 198.529 -35.6503 86.3585 15.5072 48.323 -37.1841 82.8209 -33.9635 PRESSAVG: 1691600 6.52132 -7.91289 -14.0071 -7.91277 -20.1554 2.48182 -14.0071 2.48191 6.64723 GPRESSAVG: 1691600 6.9896 -7.81732 -15.9039 -7.80894 -19.6828 3.16205 -12.1474 1.90919 5.76289 TIMING: 1691600 CPU: 4912.07, 0.00289048/step Wall: 4912.07, 0.00289048/step, 2.65635 hours remaining, 206.953125 MB of memory in use. ENERGY: 1691600 801.1875 2083.9193 1956.3842 112.6736 -206263.1255 17857.8155 0.0000 0.0000 34206.9256 -149244.2198 298.7376 -183451.1454 -149156.5881 299.7058 -14.0309 14.3974 557893.0380 -2.3289 -2.3101 PRESSURE: 1691800 -184.997 -44.3427 -12.3414 -44.3435 224.784 32.5015 -12.3407 32.5026 -104.284 GPRESSURE: 1691800 -83.3986 -126.175 8.16676 -47.1962 184.26 2.93729 -56.1527 32.3689 -81.6984 PRESSAVG: 1691800 -21.5734 -3.23695 -17.6916 -3.23698 79.0824 49.7321 -17.6915 49.7321 -1.38303 GPRESSAVG: 1691800 -21.3396 -3.54662 -17.5222 -4.86012 79.6681 49.8905 -19.3771 49.485 -2.15394 TIMING: 1691800 CPU: 4912.65, 0.0028824/step Wall: 4912.65, 0.0028824/step, 2.64877 hours remaining, 206.953125 MB of memory in use. ENERGY: 1691800 734.3074 2076.7131 1967.8295 103.3174 -205947.3557 17785.5936 0.0000 0.0000 34017.4304 -149262.1643 297.0827 -183279.5947 -149160.9747 299.1850 -21.4991 6.3878 558517.9571 18.7087 18.7248 PRESSURE: 1692000 -52.1131 -46.0527 -23.7292 -46.0522 -25.0852 101.852 -23.7309 101.849 -162.314 GPRESSURE: 1692000 -66.9463 -79.6711 -45.1286 -27.9312 35.5304 60.0108 -5.96897 149.414 -103.714 PRESSAVG: 1692000 -47.8448 -34.0948 27.1252 -34.0948 32.0288 0.294966 27.1252 0.294876 -32.1203 GPRESSAVG: 1692000 -47.7295 -35.3858 27.6903 -31.248 30.3564 1.44647 25.4576 1.36258 -31.6152 TIMING: 1692000 CPU: 4913.23, 0.00290207/step Wall: 4913.23, 0.00290207/step, 2.66668 hours remaining, 206.953125 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: 1692000 721.6170 2088.6917 1946.3300 113.6626 -206221.3281 17751.8067 0.0000 0.0000 34317.4391 -149281.7810 299.7027 -183599.2201 -149184.9755 299.0907 -79.8374 -45.0432 557657.0028 -15.9787 -16.3294 PRESSURE: 1692200 -90.2043 -52.3925 60.2453 -52.3919 -269.325 -15.9027 60.2457 -15.9037 -176.511 GPRESSURE: 1692200 -90.4788 -58.0276 62.6361 -58.57 -216.864 -14.4362 45.8955 5.84385 -122.496 PRESSAVG: 1692200 32.6429 -21.6999 55.7854 -21.6999 7.09414 0.871209 55.7855 0.871166 -57.3931 GPRESSAVG: 1692200 30.945 -21.7796 55.866 -23.1901 9.97705 -1.52947 57.2353 -0.32306 -58.3467 TIMING: 1692200 CPU: 4913.81, 0.00288485/step Wall: 4913.81, 0.00288485/step, 2.65069 hours remaining, 206.953125 MB of memory in use. ENERGY: 1692200 755.5066 2024.2688 1969.3891 114.5298 -205799.4533 17530.7815 0.0000 0.0000 34329.4853 -149075.4921 299.8079 -183404.9774 -148976.6386 299.2144 -178.6798 -143.2794 558039.9097 -5.8853 -5.8082 LDB: ============= START OF LOAD BALANCING ============== 4917.27 LDB: ============== END OF LOAD BALANCING =============== 4917.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4917.27 LDB: ============= START OF LOAD BALANCING ============== 4917.56 LDB: Largest compute 4821 load 0.029005 is 24.7% of average load 0.117662 LDB: Average compute 0.001719 is 1.5% of average load 0.117662 LDB: TIME 4917.56 LOAD: AVG 0.117662 MAX 0.17607 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.008 MB LDB: TIME 4917.56 LOAD: AVG 0.117662 MAX 0.17607 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: TIME 4917.56 LOAD: AVG 0.117662 MAX 0.17607 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: ============== END OF LOAD BALANCING =============== 4917.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4917.57 PRESSURE: 1692400 -301.846 71.9063 42.3109 71.9069 -84.9734 55.0822 42.3115 55.0827 -124.019 GPRESSURE: 1692400 -245.797 122.068 134.386 127.19 -97.8404 -23.6336 -2.09684 74.5216 -79.2555 PRESSAVG: 1692400 -13.5425 13.1133 67.2015 13.1133 15.8135 5.01508 67.2015 5.0151 25.5176 GPRESSAVG: 1692400 -11.6608 14.843 67.968 11.7279 13.8906 6.25021 68.9932 5.19298 26.112 TIMING: 1692400 CPU: 4914.39, 0.00294072/step Wall: 4914.39, 0.00294072/step, 2.70187 hours remaining, 204.828125 MB of memory in use. ENERGY: 1692400 733.0936 2109.8923 1951.5362 110.9284 -206134.4955 17703.0297 0.0000 0.0000 34451.4373 -149074.5780 300.8730 -183526.0153 -148977.4058 299.8155 -170.2792 -140.9642 559001.0111 9.2629 9.4473 PRESSURE: 1692600 70.0476 52.631 46.676 52.6308 -43.5322 141.26 46.6774 141.26 301.455 GPRESSURE: 1692600 121.79 -50.6113 135.395 91.4181 0.942846 147.735 26.1101 78.9319 301.91 PRESSAVG: 1692600 30.7837 -38.609 34.8962 -38.6089 -38.6283 -2.00763 34.8961 -2.00764 -11.0028 GPRESSAVG: 1692600 32.14 -40.5283 35.224 -36.9396 -38.8964 -1.36907 32.0021 -2.76058 -11.8548 TIMING: 1692600 CPU: 4914.98, 0.00290878/step Wall: 4914.98, 0.00290878/step, 2.67236 hours remaining, 205.484375 MB of memory in use. ENERGY: 1692600 767.1815 2109.0327 1973.1049 125.8830 -206199.3695 17987.4314 0.0000 0.0000 34317.9326 -148918.8033 299.7070 -183236.7359 -148824.1768 300.2217 109.3235 141.5477 557822.9706 -6.2824 -6.2037 PRESSURE: 1692800 -348.282 84.7863 -59.0206 84.7868 83.4307 29.6882 -59.0197 29.6876 11.8223 GPRESSURE: 1692800 -337.339 57.2087 -153.397 63.4199 137.995 -58.0869 -86.479 23.1274 43.2712 PRESSAVG: 1692800 -96.4208 -18.419 9.41554 -18.4191 61.121 13.3193 9.41542 13.3192 18.9821 GPRESSAVG: 1692800 -98.8363 -16.9775 7.93388 -20.6694 61.0989 11.6242 11.119 15.5329 21.1619 TIMING: 1692800 CPU: 4915.56, 0.00291382/step Wall: 4915.56, 0.00291382/step, 2.67683 hours remaining, 205.492188 MB of memory in use. ENERGY: 1692800 674.2255 2131.3018 1957.3522 109.0545 -205818.5219 17687.9302 0.0000 0.0000 34510.2228 -148748.4350 301.3864 -183258.6578 -148651.6762 300.7127 -84.3430 -52.0241 558498.1205 -5.4392 -5.5252 PRESSURE: 1693000 -25.9138 141.164 -7.38981 141.164 45.6858 -48.714 -7.39051 -48.7124 -39.5795 GPRESSURE: 1693000 0.403947 115.822 2.43207 109.348 66.3216 -131.126 -18.0496 -119.627 0.0323706 PRESSAVG: 1693000 -69.6175 -20.3629 -17.8427 -20.3629 54.2893 -36.0365 -17.8426 -36.0363 39.8188 GPRESSAVG: 1693000 -69.3047 -20.6421 -15.2881 -19.1858 54.1302 -34.5256 -19.1564 -36.6509 39.8974 TIMING: 1693000 CPU: 4916.15, 0.00292889/step Wall: 4916.15, 0.00292889/step, 2.69051 hours remaining, 205.492188 MB of memory in use. ENERGY: 1693000 747.8499 2132.8173 1952.5568 114.4444 -206143.4261 17823.1999 0.0000 0.0000 34414.7136 -148957.8441 300.5523 -183372.5577 -148857.6974 301.1106 -6.6025 22.2526 557126.5749 8.1635 8.2410 PRESSURE: 1693200 -308.699 -11.786 -21.9847 -11.7855 -196.871 58.1794 -21.9854 58.1786 -52.3708 GPRESSURE: 1693200 -265.34 57.5946 -106.742 3.2042 -167.739 50.4113 27.118 34.9137 -28.2623 PRESSAVG: 1693200 -24.7028 21.6498 -0.565007 21.6498 -40.0273 -87.0414 -0.564985 -87.0412 90.5383 GPRESSAVG: 1693200 -24.064 21.1212 -2.5385 21.6038 -39.5195 -88.0438 0.121984 -87.8086 89.5223 TIMING: 1693200 CPU: 4916.72, 0.00288787/step Wall: 4916.72, 0.00288787/step, 2.65267 hours remaining, 205.492188 MB of memory in use. ENERGY: 1693200 766.8163 2064.5831 1976.6644 118.9297 -205827.3539 17534.1213 0.0000 0.0000 34394.5413 -148971.6977 300.3761 -183366.2390 -148869.9693 300.1817 -185.9801 -153.7806 559354.7682 8.6027 8.6463 PRESSURE: 1693400 0.448851 91.0702 16.2218 91.0702 34.916 -101.631 16.2218 -101.632 -158.258 GPRESSURE: 1693400 48.4829 107.168 -46.0303 74.2855 21.8629 -40.7644 8.04199 -70.1585 -82.6622 PRESSAVG: 1693400 26.0638 30.4464 -54.7389 30.4464 -55.0113 16.7818 -54.7389 16.7817 13.2325 GPRESSAVG: 1693400 25.7307 29.9525 -55.2922 31.8062 -55.639 14.5054 -54.0666 19.7003 13.9318 TIMING: 1693400 CPU: 4917.3, 0.00288147/step Wall: 4917.3, 0.00288147/step, 2.64663 hours remaining, 205.492188 MB of memory in use. ENERGY: 1693400 724.1309 2093.0160 1965.7888 122.8016 -206318.6586 17894.6101 0.0000 0.0000 34401.0615 -149117.2498 300.4330 -183518.3113 -149018.2313 298.7129 -40.9645 -4.1055 558644.8013 -5.2383 -5.3255 PRESSURE: 1693600 -433.367 60.3099 29.9663 60.3116 -69.0545 -77.7611 29.9677 -77.7616 -220.387 GPRESSURE: 1693600 -405.401 7.78639 85.7513 124.464 -65.857 -89.994 -91.8188 -38.6107 -154.827 PRESSAVG: 1693600 1.23779 18.0824 -7.02529 18.0824 -46.6726 -49.8438 -7.02534 -49.8438 18.9556 GPRESSAVG: 1693600 0.979675 18.9297 -6.00856 16.6823 -45.8357 -47.8236 -6.98431 -53.2102 18.2243 TIMING: 1693600 CPU: 4917.87, 0.00287671/step Wall: 4917.87, 0.00287671/step, 2.6421 hours remaining, 205.554688 MB of memory in use. ENERGY: 1693600 761.8182 2042.4701 1950.0444 108.3850 -205754.0137 17508.7518 0.0000 0.0000 34175.7424 -149206.8018 298.4653 -183382.5442 -149107.8372 299.2472 -240.9362 -208.6949 557682.6207 -8.8264 -8.8772 PRESSURE: 1693800 15.6687 140.751 -66.0829 140.75 -59.4238 -85.2475 -66.0842 -85.2462 -288.903 GPRESSURE: 1693800 -8.56782 223.177 -37.7606 29.8576 32.9173 -51.9559 -80.0148 25.4566 -260.466 PRESSAVG: 1693800 -83.9131 13.2959 -37.426 13.2959 -24.8475 -36.4339 -37.4259 -36.4339 110.337 GPRESSAVG: 1693800 -83.4476 14.2526 -38.2348 12.7904 -24.3804 -35.1611 -39.1603 -34.408 109.452 TIMING: 1693800 CPU: 4918.45, 0.00288341/step Wall: 4918.45, 0.00288341/step, 2.64809 hours remaining, 205.640625 MB of memory in use. ENERGY: 1693800 762.5453 2052.8129 1957.9127 117.9042 -206075.0627 17760.9517 0.0000 0.0000 34092.8415 -149330.0945 297.7413 -183422.9360 -149233.2960 298.8795 -110.8860 -78.7056 558474.8712 0.5255 0.5414 PRESSURE: 1694000 -174.898 -255.002 -8.64665 -255.001 347.149 -21.8755 -8.64638 -21.8756 100.397 GPRESSURE: 1694000 -116.64 -258.85 35.7886 -235.467 343.584 27.6963 -94.7849 0.695433 139.935 PRESSAVG: 1694000 -11.0928 -2.06408 20.4439 -2.06414 7.2513 -21.6093 20.444 -21.6091 -4.97578 GPRESSAVG: 1694000 -10.7116 -2.29202 21.0589 -2.80461 6.66693 -23.4067 20.467 -19.9045 -4.84241 TIMING: 1694000 CPU: 4919.03, 0.00290574/step Wall: 4919.03, 0.00290574/step, 2.66844 hours remaining, 205.640625 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: 1694000 775.9821 2067.1605 1972.9062 105.6564 -206399.4836 17978.5468 0.0000 0.0000 34302.8487 -149196.3829 299.5753 -183499.2316 -149102.3510 298.0568 90.8825 122.2928 558158.3568 -2.9391 -2.9624 PRESSURE: 1694200 -246.591 235.87 -61.4725 235.87 -143.827 -2.40018 -61.4728 -2.40018 -116.142 GPRESSURE: 1694200 -197.546 261.562 -68.09 246.858 -95.0312 20.2594 -82.773 69.7104 -111.093 PRESSAVG: 1694200 -51.2382 31.6628 -48.6182 31.6629 6.57653 36.1589 -48.6182 36.1588 20.5975 GPRESSAVG: 1694200 -51.6973 32.2156 -46.7073 31.5119 6.69551 39.5004 -48.3928 32.7846 20.8515 TIMING: 1694200 CPU: 4919.61, 0.00291329/step Wall: 4919.61, 0.00291329/step, 2.6752 hours remaining, 205.640625 MB of memory in use. ENERGY: 1694200 738.3287 2097.8058 1970.0444 115.6330 -205626.1740 17433.6234 0.0000 0.0000 34232.9894 -149037.7493 298.9652 -183270.7387 -148940.1699 299.3229 -168.8531 -134.5566 558357.9618 -8.0214 -8.0501 PRESSURE: 1694400 -190.388 -7.63245 -111.37 -7.63369 9.89057 105.369 -111.371 105.368 -87.6106 GPRESSURE: 1694400 -157.837 7.21016 -60.0781 12.2529 108.6 128.393 -188.637 59.9524 -113.218 PRESSAVG: 1694400 -47.3559 14.4361 -39.8391 14.4361 46.2758 0.989021 -39.8391 0.989004 15.2117 GPRESSAVG: 1694400 -47.3356 13.8391 -42.9174 15.6913 45.7456 -0.881421 -38.8603 2.48277 16.018 TIMING: 1694400 CPU: 4920.19, 0.00289363/step Wall: 4920.19, 0.00289363/step, 2.65699 hours remaining, 205.640625 MB of memory in use. ENERGY: 1694400 732.3305 2054.9994 1957.4938 109.6755 -206054.5868 17679.2735 0.0000 0.0000 34388.8596 -149131.9544 300.3265 -183520.8140 -149029.6828 299.0949 -89.3692 -54.1515 557354.3627 4.7105 4.8093 PRESSURE: 1694600 -50.664 75.111 -42.3814 75.1129 184.273 -53.4089 -42.3816 -53.4079 218.54 GPRESSURE: 1694600 -12.5498 22.4471 -44.0353 80.0058 264.966 -113.83 -48.2145 -9.65183 205.844 PRESSAVG: 1694600 -50.5487 3.8789 -25.0179 3.87886 -8.43205 14.0215 -25.0179 14.0216 -10.7587 GPRESSAVG: 1694600 -50.9412 2.05359 -22.6298 4.46696 -7.33359 14.4774 -25.5846 15.5203 -11.3563 TIMING: 1694600 CPU: 4920.77, 0.0028933/step Wall: 4920.77, 0.0028933/step, 2.65653 hours remaining, 205.640625 MB of memory in use. ENERGY: 1694600 757.5155 2067.3553 1985.1448 109.0340 -206464.6220 18160.7274 0.0000 0.0000 34229.5424 -149155.3026 298.9351 -183384.8451 -149057.6001 299.9625 117.3829 152.7535 557049.9453 -23.2465 -23.2104 PRESSURE: 1694800 -276.023 23.0437 -102.533 23.0442 23.9036 98.4773 -102.531 98.4789 96.9276 GPRESSURE: 1694800 -264.211 83.9334 -161.919 12.3992 87.6149 134.534 -112.364 123.467 126.992 PRESSAVG: 1694800 -84.3531 17.4862 -19.1601 17.4862 53.52 28.0934 -19.1601 28.0936 42.0983 GPRESSAVG: 1694800 -84.5535 18.2501 -21.4885 17.8035 52.9908 27.3416 -17.3391 27.2571 42.5263 TIMING: 1694800 CPU: 4921.35, 0.00291262/step Wall: 4921.35, 0.00291262/step, 2.67411 hours remaining, 205.703125 MB of memory in use. ENERGY: 1694800 785.7561 2074.7523 2001.3898 115.2598 -206103.8471 17828.6236 0.0000 0.0000 34227.1847 -149070.8808 298.9145 -183298.0655 -148976.2250 299.3547 -51.7307 -16.5348 557678.9791 3.7551 3.6545 PRESSURE: 1695000 40.5271 -109.379 108.122 -109.381 -162.763 -115.517 108.122 -115.515 225.071 GPRESSURE: 1695000 75.6892 -98.4206 116.368 -162.342 -142.257 -189.226 77.6354 -95.522 259.937 PRESSAVG: 1695000 37.6443 -63.3312 -2.16577 -63.3313 -40.4052 -44.9371 -2.16578 -44.9372 9.40948 GPRESSAVG: 1695000 36.6317 -63.425 -2.40898 -63.0928 -40.3248 -45.1164 -3.75708 -46.4604 10.232 TIMING: 1695000 CPU: 4921.93, 0.00289082/step Wall: 4921.93, 0.00289082/step, 2.65393 hours remaining, 205.703125 MB of memory in use. ENERGY: 1695000 779.5030 2082.5900 1967.1435 121.5682 -206447.4031 18080.8310 0.0000 0.0000 34274.8737 -149140.8937 299.3310 -183415.7674 -149036.7369 299.0400 34.2785 64.4562 557787.8196 2.2162 2.1796 PRESSURE: 1695200 223.387 183.618 163.828 183.617 250.41 -179.403 163.826 -179.404 -151.979 GPRESSURE: 1695200 375.551 136.908 220.174 210.455 237.393 -197.466 62.2427 -129.982 -204.238 PRESSAVG: 1695200 64.5551 6.4495 42.3026 6.44948 -5.29482 -9.86841 42.3027 -9.86846 -18.1596 GPRESSAVG: 1695200 66.3649 5.80447 44.4239 5.33796 -5.02552 -7.34261 43.4937 -9.48914 -20.2759 TIMING: 1695200 CPU: 4922.51, 0.00286795/step Wall: 4922.51, 0.00286795/step, 2.63278 hours remaining, 205.703125 MB of memory in use. ENERGY: 1695200 756.3661 2108.4392 1961.1312 120.6068 -206317.3389 17975.8016 0.0000 0.0000 34315.3680 -149079.6259 299.6846 -183394.9939 -148981.2801 299.0707 107.2726 136.2354 558419.1019 13.7002 13.6878 PRESSURE: 1695400 -70.6776 49.2369 151.343 49.2369 -297.764 -10.1607 151.342 -10.1603 -179.741 GPRESSURE: 1695400 -73.6047 54.5168 139.285 65.9197 -238.554 -36.9923 146.804 -8.29343 -142.061 PRESSAVG: 1695400 5.85042 -57.4904 53.8028 -57.4904 12.2672 -6.88241 53.8027 -6.88228 0.382631 GPRESSAVG: 1695400 4.76861 -56.4969 50.6215 -56.78 12.9631 -7.5609 54.512 -6.84491 0.536981 TIMING: 1695400 CPU: 4923.08, 0.00287159/step Wall: 4923.08, 0.00287158/step, 2.63596 hours remaining, 205.703125 MB of memory in use. ENERGY: 1695400 771.3365 2098.2774 1980.2030 103.5252 -205843.2430 17692.3139 0.0000 0.0000 34097.3543 -149100.2327 297.7807 -183197.5870 -149004.5882 298.8358 -182.7275 -151.4069 559580.1730 6.1667 6.0896 PRESSURE: 1695600 -75.2523 15.8572 116.445 15.8566 86.8591 3.21081 116.444 3.20899 -57.9235 GPRESSURE: 1695600 -97.9838 -56.9359 151.826 28.4535 120.558 -50.3197 209.804 3.3171 29.45 PRESSAVG: 1695600 27.8375 5.31712 45.9387 5.31696 -1.79753 -17.3065 45.9387 -17.3065 9.93357 GPRESSAVG: 1695600 26.839 3.86594 49.7996 6.33581 -1.41964 -18.235 42.9114 -16.3621 10.7614 TIMING: 1695600 CPU: 4923.66, 0.00290127/step Wall: 4923.66, 0.00290127/step, 2.66305 hours remaining, 205.707031 MB of memory in use. ENERGY: 1695600 788.7790 2087.7979 2001.0581 122.4824 -206216.5240 17856.0889 0.0000 0.0000 34165.9135 -149194.4043 298.3794 -183360.3178 -149096.0273 299.1897 -15.4389 17.3415 558495.9141 11.9912 12.0602 PRESSURE: 1695800 -333.717 -61.066 53.4042 -61.0663 -171.192 -43.3122 53.404 -43.311 -74.689 GPRESSURE: 1695800 -282.532 -73.7441 114.009 -98.6587 -118.704 -85.9627 30.7457 -27.1056 -90.3376 PRESSAVG: 1695800 -26.5492 35.0591 29.8064 35.059 22.458 11.5329 29.8066 11.5328 -10.0777 GPRESSAVG: 1695800 -26.1976 35.4642 26.7103 35.1936 22.3113 12.4383 30.2596 11.3462 -10.2622 TIMING: 1695800 CPU: 4924.24, 0.00291632/step Wall: 4924.24, 0.00291632/step, 2.6767 hours remaining, 205.707031 MB of memory in use. ENERGY: 1695800 750.6758 2123.9508 1957.8563 104.8059 -206086.7200 17712.8493 0.0000 0.0000 34451.1323 -148985.4496 300.8703 -183436.5820 -148888.8173 299.7347 -193.1992 -163.8581 559194.2986 -4.7230 -4.7162 PRESSURE: 1696000 -297.734 -280.001 -45.5145 -280 -116.872 -154.957 -45.5142 -154.954 -39.2345 GPRESSURE: 1696000 -317.942 -196.43 -69.2907 -345.454 -61.5414 -97.9761 -58.1225 -142.578 23.269 PRESSAVG: 1696000 -22.6605 -22.0538 28.9411 -22.0538 29.8745 -30.2341 28.941 -30.2341 19.5605 GPRESSAVG: 1696000 -21.9327 -20.5142 30.3864 -22.5068 29.7626 -30.9451 30.1405 -30.2771 19.3252 TIMING: 1696000 CPU: 4924.82, 0.00287613/step Wall: 4924.82, 0.00287613/step, 2.63965 hours remaining, 205.761719 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: 1696000 738.4426 2119.3483 1975.6222 132.1277 -205858.4025 17526.5844 0.0000 0.0000 34434.8485 -148931.4288 300.7281 -183366.2772 -148836.7270 299.9714 -151.2802 -118.7380 558254.8856 8.9248 9.0517 PRESSURE: 1696200 346.829 -30.4915 151.15 -30.4915 247.547 -94.4993 151.15 -94.499 79.6268 GPRESSURE: 1696200 292.078 -60.2275 121.433 -52.1924 340.206 -43.2219 105.026 12.0056 137.082 PRESSAVG: 1696200 -45.7666 -21.5259 0.239138 -21.5259 38.8634 30.3903 0.239171 30.3902 -15.3165 GPRESSAVG: 1696200 -45.7036 -23.52 -1.37644 -22.8783 37.5234 31.5368 -0.754695 29.791 -14.4068 TIMING: 1696200 CPU: 4925.4, 0.00289694/step Wall: 4925.4, 0.00289694/step, 2.65859 hours remaining, 205.761719 MB of memory in use. ENERGY: 1696200 721.9947 2141.1045 1952.4380 125.7871 -206566.6634 18303.7816 0.0000 0.0000 34409.3951 -148912.1625 300.5058 -183321.5576 -148809.6920 299.5821 224.6679 256.4555 558441.3136 -7.4066 -7.5290 LDB: ============= START OF LOAD BALANCING ============== 4928.87 LDB: ============== END OF LOAD BALANCING =============== 4928.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4928.87 LDB: ============= START OF LOAD BALANCING ============== 4929.16 LDB: Largest compute 4821 load 0.029336 is 24.9% of average load 0.117700 LDB: Average compute 0.001709 is 1.5% of average load 0.117700 LDB: TIME 4929.16 LOAD: AVG 0.1177 MAX 0.177244 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.27 MB LDB: TIME 4929.16 LOAD: AVG 0.1177 MAX 0.177244 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.527 MB LDB: TIME 4929.16 LOAD: AVG 0.1177 MAX 0.177244 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4929.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4929.17 PRESSURE: 1696400 66.9133 -31.8061 34.6611 -31.8064 -152.02 31.4222 34.661 31.4211 -163.696 GPRESSURE: 1696400 91.6747 33.4819 25.0231 -14.1696 -139.657 -55.9174 28.9526 12.3021 -93.0771 PRESSAVG: 1696400 14.4549 -49.5193 14.9579 -49.5193 28.056 -5.56294 14.9578 -5.56292 -30.96 GPRESSAVG: 1696400 14.5249 -47.9727 16.6987 -48.2987 28.6161 -6.48304 13.5502 -5.63031 -31.0611 TIMING: 1696400 CPU: 4925.99, 0.00295662/step Wall: 4925.99, 0.00295662/step, 2.7132 hours remaining, 205.671875 MB of memory in use. ENERGY: 1696400 737.3215 2100.3714 1981.3439 120.9760 -205535.8917 17648.6521 0.0000 0.0000 34093.2852 -148853.9415 297.7451 -182947.2268 -148757.6210 299.9987 -82.9344 -47.0198 559548.4024 3.8503 4.0267 PRESSURE: 1696600 31.1881 119.02 107.966 119.02 -188.651 58.2028 107.966 58.2028 222.164 GPRESSURE: 1696600 28.2953 118.082 204.714 159.259 -117.093 60.7358 64.5803 70.4938 253.973 PRESSAVG: 1696600 24.4236 -3.0159 14.1108 -3.01588 -60.1081 7.14991 14.1108 7.1498 65.0732 GPRESSAVG: 1696600 24.5288 -2.77203 14.6003 -1.83134 -60.5554 8.60964 16.6744 5.84425 65.4644 TIMING: 1696600 CPU: 4926.57, 0.00287759/step Wall: 4926.57, 0.00287759/step, 2.64051 hours remaining, 206.078125 MB of memory in use. ENERGY: 1696600 730.5714 2092.5484 1955.9380 110.0681 -205678.3465 17740.7633 0.0000 0.0000 34204.1695 -148844.2878 298.7135 -183048.4573 -148749.0257 299.3778 21.5673 55.0583 559411.6791 9.7962 9.8126 PRESSURE: 1696800 126.595 49.3031 199.525 49.3027 -14.4821 -38.0824 199.528 -38.0813 -141.51 GPRESSURE: 1696800 163.778 75.9122 212.536 36.4086 37.5606 24.0761 130.933 -51.2476 -135.65 PRESSAVG: 1696800 15.4822 92.4648 42.7539 92.4647 -48.8729 -23.0111 42.7538 -23.0111 31.5116 GPRESSAVG: 1696800 16.1921 89.5824 41.1725 91.6509 -48.468 -24.6924 41.3326 -21.2156 30.2914 TIMING: 1696800 CPU: 4927.14, 0.00288386/step Wall: 4927.14, 0.00288386/step, 2.6461 hours remaining, 206.078125 MB of memory in use. ENERGY: 1696800 741.7711 2062.3346 1948.9791 108.0157 -205800.9056 17708.9506 0.0000 0.0000 34348.6375 -148882.2170 299.9752 -183230.8545 -148780.9208 300.0962 -9.7991 21.8965 558760.6498 -0.6264 -0.6615 PRESSURE: 1697000 232.437 -196.218 41.3064 -196.219 61.5183 -19.7634 41.3048 -19.7639 344.14 GPRESSURE: 1697000 244.011 -151.413 51.4591 -149.378 136.94 -55.5656 -11.14 14.1489 352.306 PRESSAVG: 1697000 139.586 -19.5672 -4.99927 -19.5672 -87.5688 -38.2152 -4.99918 -38.2152 -17.4147 GPRESSAVG: 1697000 138.58 -16.6635 -5.31898 -20.5471 -87.5359 -35.761 -4.22281 -39.4232 -16.431 TIMING: 1697000 CPU: 4927.72, 0.00288282/step Wall: 4927.72, 0.00288282/step, 2.64499 hours remaining, 206.078125 MB of memory in use. ENERGY: 1697000 699.2982 2140.1532 1957.1902 126.0625 -205909.6787 17791.3642 0.0000 0.0000 34387.3604 -148808.2501 300.3134 -183195.6105 -148714.7025 300.0235 212.6985 244.4191 556940.1764 11.5342 11.5376 PRESSURE: 1697200 -175.065 16.0521 -5.9575 16.0506 -274.259 -116.967 -5.95742 -116.968 -231.338 GPRESSURE: 1697200 -100.514 50.4285 -43.8983 43.6116 -292.606 -35.6828 30.3312 -137.849 -189.336 PRESSAVG: 1697200 44.8304 33.7352 -21.2966 33.7352 -64.7829 20.2931 -21.2965 20.2932 2.06932 GPRESSAVG: 1697200 45.5089 33.3128 -19.7002 34.0745 -63.8231 20.3301 -22.7965 21.514 0.690061 TIMING: 1697200 CPU: 4928.3, 0.00289333/step Wall: 4928.3, 0.00289333/step, 2.65447 hours remaining, 206.078125 MB of memory in use. ENERGY: 1697200 783.8827 2122.6267 1958.5880 107.3268 -205554.7700 17381.8549 0.0000 0.0000 34394.1001 -148806.3909 300.3722 -183200.4910 -148709.1277 300.1326 -226.8873 -194.1518 557247.7553 -5.9611 -5.8747 PRESSURE: 1697400 -4.79839 -106.853 -23.9819 -106.854 -254.46 -7.30745 -23.9825 -7.30782 -15.4236 GPRESSURE: 1697400 68.3524 -76.9272 -11.913 -116.408 -273.253 -67.9191 -62.2771 -35.1176 32.6348 PRESSAVG: 1697400 68.2116 -1.16359 -71.4864 -1.1636 -51.8398 -27.7514 -71.4864 -27.7513 -14.4064 GPRESSAVG: 1697400 67.4672 -1.20905 -71.0479 -2.91857 -52.5695 -29.8205 -71.3421 -29.6764 -12.8578 TIMING: 1697400 CPU: 4928.88, 0.00289073/step Wall: 4928.88, 0.00289073/step, 2.65192 hours remaining, 206.078125 MB of memory in use. ENERGY: 1697400 771.9529 2035.4437 1953.4087 110.7805 -205767.1905 17731.5365 0.0000 0.0000 34219.5689 -148944.4993 298.8480 -183164.0682 -148854.7038 299.8862 -91.5607 -57.4220 558145.4042 0.6551 0.6799 PRESSURE: 1697600 -37.3718 35.1301 152.187 35.1318 -55.5649 -144.074 152.188 -144.072 -41.6126 GPRESSURE: 1697600 -12.7963 51.9354 167.923 58.3273 -0.45314 -125.41 186.463 -182.984 -22.7624 PRESSAVG: 1697600 4.02714 -6.49191 -25.7547 -6.49181 -34.5501 -16.5586 -25.7548 -16.5588 23.1941 GPRESSAVG: 1697600 5.24836 -7.37526 -24.9707 -3.44785 -33.9996 -15.7952 -24.2914 -15.7549 21.5302 TIMING: 1697600 CPU: 4929.45, 0.00288286/step Wall: 4929.45, 0.00288286/step, 2.64454 hours remaining, 206.078125 MB of memory in use. ENERGY: 1697600 731.2803 2074.2944 1925.1234 106.1841 -205939.3963 17764.2649 0.0000 0.0000 34459.1442 -148879.1050 300.9403 -183338.2492 -148781.5724 299.6223 -44.8498 -12.0039 558876.6647 -2.4430 -2.4070 PRESSURE: 1697800 -168.847 71.1089 -12.5599 71.109 36.9378 118.792 -12.56 118.79 27.7407 GPRESSURE: 1697800 -104.128 43.4673 35.9682 26.0633 3.15428 58.4108 -47.2806 194.022 97.6639 PRESSAVG: 1697800 -18.4039 16.5032 -28.7341 16.5033 29.5868 31.959 -28.7341 31.959 -33.423 GPRESSAVG: 1697800 -17.9325 16.5812 -28.857 16.4289 28.3326 31.4281 -31.1141 32.8674 -32.8014 TIMING: 1697800 CPU: 4930.03, 0.00286772/step Wall: 4930.03, 0.00286772/step, 2.6305 hours remaining, 206.078125 MB of memory in use. ENERGY: 1697800 727.5041 2102.0823 1998.1246 125.9103 -205737.9372 17613.5640 0.0000 0.0000 34345.4859 -148825.2658 299.9477 -183170.7518 -148727.9494 300.0932 -34.7228 -1.1032 558012.9538 -7.4134 -7.4671 PRESSURE: 1698000 -31.3172 -108.332 47.8827 -108.331 -103.399 -67.8422 47.8816 -67.8435 -232.751 GPRESSURE: 1698000 -25.3463 -93.7125 123.84 -85.8202 -127.736 -46.4843 -87.2521 -114.047 -116.093 PRESSAVG: 1698000 -14.6866 46.7771 -14.5993 46.7771 47.0065 -16.7398 -14.5994 -16.7399 -66.3166 GPRESSAVG: 1698000 -15.3724 49.116 -17.1983 45.5725 46.6802 -16.9586 -12.6239 -17.3868 -65.8159 TIMING: 1698000 CPU: 4930.6, 0.00288074/step Wall: 4930.6, 0.00288074/step, 2.64228 hours remaining, 206.089844 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: 1698000 762.7812 2088.2035 1911.9467 114.1447 -205798.9581 17622.7747 0.0000 0.0000 34241.0079 -149058.0994 299.0352 -183299.1073 -148956.1700 300.0619 -122.4891 -89.7249 557559.2308 -11.3322 -11.5027 PRESSURE: 1698200 160.796 -130.031 -80.2767 -130.03 -17.7608 -125.215 -80.2776 -125.215 160.824 GPRESSURE: 1698200 157.976 -106.667 -40.1342 -71.811 18.5647 -91.5974 -64.4771 -246.188 208.993 PRESSAVG: 1698200 -16.5955 87.6624 -40.922 87.6624 -16.81 19.0589 -40.9221 19.0589 -5.77078 GPRESSAVG: 1698200 -17.9044 86.035 -38.3355 89.9539 -16.2381 18.2124 -43.4471 19.4138 -6.33145 TIMING: 1698200 CPU: 4931.18, 0.00288047/step Wall: 4931.18, 0.00288047/step, 2.64187 hours remaining, 206.089844 MB of memory in use. ENERGY: 1698200 746.5728 2117.5031 1979.3829 100.2013 -206123.1906 17780.4643 0.0000 0.0000 34400.3945 -148998.6717 300.4272 -183399.0662 -148909.5488 299.9829 101.2865 128.5114 557254.6304 -13.0588 -13.4913 PRESSURE: 1698400 -138.132 44.1847 39.9627 44.1866 -10.0983 24.8331 39.9624 24.8324 -209.149 GPRESSURE: 1698400 -83.156 55.0071 128.261 28.5641 6.58896 -33.1562 -25.6012 53.2084 -176.05 PRESSAVG: 1698400 -43.1714 42.8703 -12.4433 42.8704 17.06 -2.56261 -12.4432 -2.56264 -13.4139 GPRESSAVG: 1698400 -42.6545 42.185 -12.1945 41.6595 16.226 -2.27217 -13.1173 -3.31234 -13.368 TIMING: 1698400 CPU: 4931.75, 0.00287174/step Wall: 4931.75, 0.00287174/step, 2.63371 hours remaining, 206.089844 MB of memory in use. ENERGY: 1698400 746.7062 2028.7298 1980.0315 118.4100 -206082.6874 17731.3880 0.0000 0.0000 34353.0898 -149124.3321 300.0141 -183477.4219 -149020.7108 299.1224 -119.1264 -84.2058 558946.3362 -13.1751 -13.2655 PRESSURE: 1698600 175.861 168.516 -145.843 168.516 21.8677 -109.372 -145.843 -109.372 -93.3375 GPRESSURE: 1698600 187.318 114.218 -221.781 128.917 84.4781 -43.3134 -55.9215 -154.578 -74.0759 PRESSAVG: 1698600 -22.3578 -3.26285 -22.147 -3.26295 85.0696 -3.34419 -22.147 -3.34421 -37.3288 GPRESSAVG: 1698600 -22.8425 -4.16933 -24.7577 -2.00227 85.6562 -3.22041 -18.8924 -2.78222 -37.2955 TIMING: 1698600 CPU: 4932.33, 0.00287387/step Wall: 4932.33, 0.00287387/step, 2.6355 hours remaining, 206.089844 MB of memory in use. ENERGY: 1698600 712.2989 2068.9212 1958.1897 122.2682 -206150.8564 17813.4306 0.0000 0.0000 34270.1195 -149205.6283 299.2895 -183475.7478 -149108.4394 299.1792 34.7970 65.9068 557345.9751 8.4610 8.5061 PRESSURE: 1698800 -122.775 -110.093 -15.0454 -110.092 67.6321 51.118 -15.0446 51.1166 -6.07598 GPRESSURE: 1698800 -96.0884 -79.5845 45.751 -145.098 104.955 -39.5531 103.178 64.9166 37.1821 PRESSAVG: 1698800 -8.98465 -6.10772 -24.4757 -6.10764 73.6235 -76.6767 -24.4757 -76.6767 13.0043 GPRESSAVG: 1698800 -8.14132 -1.98802 -20.89 -8.36669 73.3525 -78.1776 -26.8762 -78.0441 12.2381 TIMING: 1698800 CPU: 4932.91, 0.00289796/step Wall: 4932.91, 0.00289796/step, 2.65743 hours remaining, 206.089844 MB of memory in use. ENERGY: 1698800 751.3201 2109.9318 1931.1976 115.1842 -205863.0994 17791.1398 0.0000 0.0000 34040.9073 -149123.4186 297.2877 -183164.3259 -149028.9413 298.9003 -20.4064 15.3497 558344.6195 25.8811 25.8164 PRESSURE: 1699000 32.4028 -38.4203 -54.6618 -38.4211 -14.2046 30.6946 -54.6614 30.6952 18.6832 GPRESSURE: 1699000 51.2851 52.2783 -68.3319 -32.0482 10.9982 -14.7219 -34.0119 43.8447 83.5539 PRESSAVG: 1699000 13.5719 -55.1785 18.2575 -55.1786 9.49247 -47.6776 18.2575 -47.6776 17.4549 GPRESSAVG: 1699000 14.1389 -57.0153 15.3285 -53.986 9.55453 -46.3542 19.0704 -48.5725 17.8948 TIMING: 1699000 CPU: 4933.49, 0.00289814/step Wall: 4933.49, 0.00289814/step, 2.65743 hours remaining, 206.089844 MB of memory in use. ENERGY: 1699000 725.4974 2131.7251 1958.4739 108.6695 -206032.6333 17907.9589 0.0000 0.0000 33919.5246 -149280.7840 296.2276 -183200.3086 -149178.5307 298.5517 12.2938 48.6124 559130.1410 13.5064 13.8628 PRESSURE: 1699200 97.465 97.4967 -151.18 97.4949 148.605 -61.5425 -151.181 -61.5425 -67.0588 GPRESSURE: 1699200 122.412 65.8481 -171.169 141.892 216.363 -93.6568 -141.635 -52.0928 -59.0629 PRESSAVG: 1699200 19.142 44.8425 -4.84872 44.8425 -0.857795 -58.7492 -4.84874 -58.7492 -38.5584 GPRESSAVG: 1699200 18.9069 44.3191 -5.00137 45.7491 0.00670207 -57.8097 -4.21615 -57.2346 -39.1611 TIMING: 1699200 CPU: 4934.06, 0.00288699/step Wall: 4934.06, 0.00288699/step, 2.64705 hours remaining, 206.089844 MB of memory in use. ENERGY: 1699200 749.9672 2095.7839 1952.8040 115.9232 -206379.6258 17962.9783 0.0000 0.0000 34061.0687 -149441.1004 297.4638 -183502.1691 -149351.7367 298.3424 59.6705 93.2372 556658.1718 -6.7581 -6.7492 PRESSURE: 1699400 35.3501 33.698 6.41127 33.6989 -191.255 -132.095 6.41215 -132.095 -68.0675 GPRESSURE: 1699400 86.3653 89.3165 -42.9191 49.094 -167.586 -99.704 19.9468 -93.915 -43.1446 PRESSAVG: 1699400 67.1333 14.0596 25.6972 14.0597 -23.8919 -8.74377 25.6972 -8.74371 -51.579 GPRESSAVG: 1699400 68.1403 15.3278 27.1828 12.9853 -24.193 -8.01075 25.0575 -8.43926 -52.1303 TIMING: 1699400 CPU: 4934.64, 0.00288174/step Wall: 4934.64, 0.00288174/step, 2.64208 hours remaining, 206.089844 MB of memory in use. ENERGY: 1699400 750.3789 2127.3957 1952.6890 118.2115 -206482.2178 17833.4422 0.0000 0.0000 34226.5132 -149473.5874 298.9087 -183700.1006 -149385.5736 298.1603 -74.6573 -41.4552 557773.8764 -2.7792 -2.7277 PRESSURE: 1699600 -81.3001 -87.7363 -147.008 -87.7357 -121.273 -14.7638 -147.007 -14.7639 36.042 GPRESSURE: 1699600 -78.1859 -138.426 -151.423 -66.5574 -95.9879 -77.1873 -168.377 0.885655 103.803 PRESSAVG: 1699600 55.2712 -33.8997 -31.6954 -33.8997 -3.54482 -13.0934 -31.6955 -13.0933 -92.0272 GPRESSAVG: 1699600 54.3527 -36.2432 -29.919 -33.9876 -4.27838 -13.0863 -33.4224 -14.752 -91.0565 TIMING: 1699600 CPU: 4935.22, 0.00289234/step Wall: 4935.22, 0.00289234/step, 2.65163 hours remaining, 206.089844 MB of memory in use. ENERGY: 1699600 710.4423 2124.2861 1967.5792 116.5757 -206455.6123 17767.8022 0.0000 0.0000 34267.0266 -149501.9003 299.2625 -183768.9269 -149402.4439 297.5940 -55.5103 -23.4569 556989.7817 -13.4336 -13.6607 PRESSURE: 1699800 -116.074 53.3976 -109.348 53.3984 35.773 119.685 -109.349 119.684 -212.957 GPRESSURE: 1699800 -118.727 48.139 -114.311 94.8648 78.9226 123.926 -122.186 163.162 -158.689 PRESSAVG: 1699800 -4.82144 -30.5076 -9.0711 -30.5076 62.5394 11.0291 -9.07107 11.0292 -63.6931 GPRESSAVG: 1699800 -5.57782 -28.5812 -11.3057 -30.31 64.0462 11.7396 -6.96315 12.7131 -63.3488 TIMING: 1699800 CPU: 4935.8, 0.00288669/step Wall: 4935.8, 0.00288669/step, 2.64629 hours remaining, 206.089844 MB of memory in use. ENERGY: 1699800 770.9062 2121.8691 1952.4085 116.5710 -206112.3048 17647.4728 0.0000 0.0000 34187.7634 -149315.3139 298.5702 -183503.0772 -149218.6793 298.4835 -97.7527 -66.1645 555683.7248 -1.9917 -1.6268 WRITING COORDINATES TO DCD FILE MD.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 -96.4384 60.6149 1.31625 60.6146 -17.278 84.0981 1.31569 84.0988 96.2762 GPRESSURE: 1700000 -117.192 94.5912 12.0417 29.5935 44.4628 155.082 -21.4289 -19.2511 148.211 PRESSAVG: 1700000 15.1384 36.0401 -43.9402 36.0402 -2.52038 -7.26581 -43.9402 -7.26572 6.3243 GPRESSAVG: 1700000 15.8944 35.7478 -41.7478 35.1141 -2.82117 -6.61505 -45.6074 -7.68835 6.21644 TIMING: 1700000 CPU: 4936.39, 0.00296346/step Wall: 4936.39, 0.00296346/step, 2.71651 hours remaining, 206.207031 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: 1700000 743.2626 2123.6698 1971.9198 115.1692 -206369.1288 17814.3916 0.0000 0.0000 34328.0480 -149272.6679 299.7954 -183600.7159 -149181.2996 299.3074 -5.8134 25.1607 556353.5229 6.3141 6.4299 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 PRESSURE: 1700200 70.3901 -92.9156 -182.516 -92.9152 5.78743 -67.8046 -182.515 -67.8036 -129.653 GPRESSURE: 1700200 117.761 -115.894 -231.047 -40.0977 -6.28129 -150.01 -180.091 39.3276 -54.8316 PRESSAVG: 1700200 46.7345 2.89718 -29.7844 2.89714 -25.2757 -19.9752 -29.7845 -19.9752 -28.8199 GPRESSAVG: 1700200 46.8826 3.11212 -32.521 4.91731 -26.1452 -20.0257 -28.6089 -21.2423 -28.3008 TIMING: 1700200 CPU: 4936.97, 0.00288242/step Wall: 4936.97, 0.00288242/step, 2.64206 hours remaining, 206.207031 MB of memory in use. ENERGY: 1700200 723.8312 2116.9705 1960.3773 105.1565 -206020.7965 17726.8643 0.0000 0.0000 34251.4560 -149136.1406 299.1265 -183387.5966 -149046.3698 299.1279 -17.8253 18.8828 555914.6582 -2.4537 -2.5211 LDB: ============= START OF LOAD BALANCING ============== 4940.43 LDB: ============== END OF LOAD BALANCING =============== 4940.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4940.43 LDB: ============= START OF LOAD BALANCING ============== 4940.72 LDB: Largest compute 4821 load 0.030970 is 26.3% of average load 0.117765 LDB: Average compute 0.001714 is 1.5% of average load 0.117765 LDB: TIME 4940.72 LOAD: AVG 0.117765 MAX 0.178877 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.262 MB LDB: TIME 4940.72 LOAD: AVG 0.117765 MAX 0.178877 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: TIME 4940.72 LOAD: AVG 0.117765 MAX 0.178877 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4940.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4940.73 PRESSURE: 1700400 175.097 174.941 82.8248 174.941 14.9113 -47.3838 82.8248 -47.3849 310.416 GPRESSURE: 1700400 239.266 171.397 133.465 225.575 23.1306 3.98393 105.126 -68.2755 330.66 PRESSAVG: 1700400 28.5897 -22.3236 -9.84552 -22.3236 -31.8034 -2.20766 -9.84558 -2.20769 14.7354 GPRESSAVG: 1700400 29.1118 -21.7511 -9.54243 -23.6046 -30.5148 -4.80148 -8.83085 -0.424042 13.2416 TIMING: 1700400 CPU: 4937.55, 0.00292382/step Wall: 4937.55, 0.00292382/step, 2.67984 hours remaining, 205.152344 MB of memory in use. ENERGY: 1700400 712.0804 2118.8535 1936.3266 104.1459 -206312.8975 17964.2331 0.0000 0.0000 34312.7529 -149164.5050 299.6618 -183477.2579 -149064.7762 299.0401 166.8081 197.6855 554989.6286 3.8406 3.9462 PRESSURE: 1700600 -41.4393 131.92 114.659 131.919 216.628 8.31565 114.659 8.31519 -14.0135 GPRESSURE: 1700600 -19.023 123.892 115.437 120.379 297.513 31.7803 152.243 65.241 -25.2223 PRESSAVG: 1700600 17.9702 6.05349 4.42983 6.05348 -18.6724 -1.12376 4.42986 -1.1238 -6.43499 GPRESSAVG: 1700600 17.7825 6.21742 4.58086 5.2494 -19.1933 -0.827073 4.91423 -0.315615 -5.81955 TIMING: 1700600 CPU: 4938.13, 0.00287448/step Wall: 4938.13, 0.00287448/step, 2.63447 hours remaining, 205.355469 MB of memory in use. ENERGY: 1700600 727.2406 2118.5019 1965.8189 107.1005 -206169.7172 17731.9874 0.0000 0.0000 34334.8712 -149184.1967 299.8550 -183519.0678 -149091.7405 299.5966 53.7251 84.4227 556254.9056 -2.3791 -2.4101 PRESSURE: 1700800 297.032 106.969 18.9184 106.968 98.2275 25.1105 18.9191 25.1095 -49.7568 GPRESSURE: 1700800 324.633 29.9209 64.7685 83.0723 134.288 -14.5439 -29.1142 32.0473 -19.2175 PRESSAVG: 1700800 -32.8273 41.2952 23.4256 41.2952 51.5012 -8.02613 23.4255 -8.02605 11.1368 GPRESSAVG: 1700800 -31.3812 40.5471 24.4716 42.3202 49.8075 -9.02126 22.5738 -10.4166 11.8047 TIMING: 1700800 CPU: 4938.7, 0.00288197/step Wall: 4938.7, 0.00288197/step, 2.64116 hours remaining, 205.355469 MB of memory in use. ENERGY: 1700800 757.5711 2018.8433 1959.6755 124.5110 -206487.2728 17992.3166 0.0000 0.0000 34282.9337 -149351.4218 299.4014 -183634.3554 -149261.4455 298.5891 115.1675 146.5679 556230.0033 9.9369 10.0770 PRESSURE: 1701000 357.162 56.7089 17.7446 56.7083 119.331 68.1696 17.7449 68.1696 -227.58 GPRESSURE: 1701000 341.181 8.63257 -41.4391 106.124 119.975 55.729 72.4356 120.787 -128.694 PRESSAVG: 1701000 24.0728 53.5611 17.7047 53.5611 36.0387 -21.3802 17.7047 -21.3801 -36.5873 GPRESSAVG: 1701000 24.1299 53.7714 15.0612 52.7717 36.3027 -20.25 19.6824 -20.6598 -37.0783 TIMING: 1701000 CPU: 4939.28, 0.00289867/step Wall: 4939.28, 0.00289867/step, 2.65631 hours remaining, 205.593750 MB of memory in use. ENERGY: 1701000 748.2856 2088.7343 1956.7632 121.2360 -206542.6267 18038.9193 0.0000 0.0000 34231.5455 -149357.1427 298.9526 -183588.6882 -149264.4018 298.3799 82.9712 110.8203 557191.1159 7.8414 7.7848 PRESSURE: 1701200 -51.2833 1.04427 44.6325 1.04501 113.585 -68.1624 44.6331 -68.1629 267.798 GPRESSURE: 1701200 -25.7962 -4.68882 61.6722 -78.7778 144.73 -77.3275 -25.3671 -114.955 308.42 PRESSAVG: 1701200 18.7617 12.2965 31.8596 12.2966 75.0648 -32.1658 31.8596 -32.1658 -46.7283 GPRESSAVG: 1701200 17.7355 11.7891 32.8847 12.4146 75.4575 -31.3417 30.6874 -31.1452 -45.7025 TIMING: 1701200 CPU: 4939.87, 0.00292316/step Wall: 4939.87, 0.00292316/step, 2.67858 hours remaining, 205.593750 MB of memory in use. ENERGY: 1701200 732.3721 2079.8872 1969.4372 112.6514 -206691.3841 17980.8027 0.0000 0.0000 34292.0162 -149524.2173 299.4807 -183816.2335 -149430.6775 298.0941 110.0331 142.4513 558340.2063 15.6994 15.8301 PRESSURE: 1701400 -10.7546 -170.725 43.7908 -170.725 260.905 146.158 43.7912 146.158 345.428 GPRESSURE: 1701400 -5.05947 -187.642 -28.0638 -111.069 302.412 155.011 26.6271 113.708 391.558 PRESSAVG: 1701400 -38.3478 13.6894 1.19278 13.6895 20.0521 25.3587 1.19276 25.3587 24.1702 GPRESSAVG: 1701400 -38.0099 14.171 0.808704 14.3909 21.4863 29.0303 1.289 22.5604 22.1375 TIMING: 1701400 CPU: 4940.44, 0.00288185/step Wall: 4940.44, 0.00288186/step, 2.64058 hours remaining, 205.593750 MB of memory in use. ENERGY: 1701400 692.5964 2084.8969 1996.7222 109.8922 -206620.1185 17996.0425 0.0000 0.0000 34438.0235 -149301.9449 300.7558 -183739.9684 -149204.8707 298.4039 198.5262 229.6369 557358.8278 1.9582 1.8713 PRESSURE: 1701600 101.034 -94.8445 -35.4317 -94.8438 74.9349 50.2641 -35.4297 50.2639 132.857 GPRESSURE: 1701600 133.083 -83.8264 40.0113 -79.0932 145.935 94.9671 -124.426 85.7146 119.292 PRESSAVG: 1701600 7.86424 16.3844 9.57592 16.3844 40.5196 60.0955 9.57598 60.0955 -39.2268 GPRESSAVG: 1701600 6.05027 18.7754 10.103 14.3259 40.6881 54.2785 10.3242 62.8858 -37.3366 TIMING: 1701600 CPU: 4941.02, 0.00287856/step Wall: 4941.02, 0.00287856/step, 2.6374 hours remaining, 205.593750 MB of memory in use. ENERGY: 1701600 718.0017 2090.1625 1961.9815 120.9934 -206159.8177 17827.1380 0.0000 0.0000 34141.6114 -149299.9291 298.1672 -183441.5405 -149209.9530 298.9840 102.9421 132.7700 557516.6705 3.0524 3.1339 PRESSURE: 1701800 -323.156 43.8166 77.0339 43.8175 -155.582 -170.423 77.0333 -170.422 11.607 GPRESSURE: 1701800 -291.211 112.553 68.3284 39.9283 -96.6541 -260.21 56.0846 -94.2745 23.6023 PRESSAVG: 1701800 -41.6764 33.306 -22.4946 33.306 23.912 48.248 -22.4946 48.248 20.6664 GPRESSAVG: 1701800 -40.5012 31.4767 -23.0073 34.5433 23.0748 49.6631 -21.588 48.9491 19.6896 TIMING: 1701800 CPU: 4941.59, 0.00287907/step Wall: 4941.59, 0.00287907/step, 2.63771 hours remaining, 205.832031 MB of memory in use. ENERGY: 1701800 744.5592 2126.3610 1957.5317 105.3458 -206330.1520 17714.3354 0.0000 0.0000 34266.0399 -149415.9791 299.2538 -183682.0190 -149315.7921 298.6879 -155.7104 -121.4210 558474.3836 0.9673 0.7544 PRESSURE: 1702000 -139.997 -150.596 7.23125 -150.596 -181.988 8.78389 7.23151 8.78341 -113.979 GPRESSURE: 1702000 -166.279 -137.953 37.4806 -155.376 -71.8685 -18.451 -33.393 90.6648 -91.056 PRESSAVG: 1702000 -13.692 5.65405 -3.22101 5.65399 -25.0942 -34.2049 -3.22097 -34.2049 39.8178 GPRESSAVG: 1702000 -13.9125 4.7985 -2.26142 4.87977 -25.8468 -34.8002 -3.91414 -34.4455 40.617 TIMING: 1702000 CPU: 4942.17, 0.00288504/step Wall: 4942.17, 0.00288504/step, 2.64302 hours remaining, 205.855469 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: 1702000 762.0814 2083.7723 1951.3872 110.6503 -206216.3508 17814.7460 0.0000 0.0000 34024.3911 -149469.3226 297.1435 -183493.7137 -149374.0898 297.9689 -145.3213 -109.7346 558564.1161 0.3439 0.2859 PRESSURE: 1702200 44.7819 -51.5543 -16.588 -51.5551 400.034 105.985 -16.5873 105.986 233.105 GPRESSURE: 1702200 63.7225 -84.1984 -37.0683 -85.8548 418.411 104.989 39.4608 35.1971 297.591 PRESSAVG: 1702200 18.8672 -17.8032 -39.4618 -17.8033 -22.4733 -39.9047 -39.4617 -39.9046 13.3842 GPRESSAVG: 1702200 18.5466 -16.9827 -39.4822 -16.0809 -21.9141 -38.871 -40.0869 -40.3394 13.2008 TIMING: 1702200 CPU: 4942.74, 0.00286764/step Wall: 4942.74, 0.00286764/step, 2.62692 hours remaining, 205.855469 MB of memory in use. ENERGY: 1702200 746.9853 2037.8402 1971.4299 106.5449 -206769.6031 18221.4020 0.0000 0.0000 34135.0208 -149550.3801 298.1096 -183685.4009 -149450.4243 298.5635 225.9737 259.9083 558134.5466 3.2594 3.2778 PRESSURE: 1702400 7.99552 -109.624 -81.7391 -109.624 317.136 15.9936 -81.7388 15.9924 -53.8847 GPRESSURE: 1702400 69.8397 -164.062 -11.9324 -124.731 311.152 -60.6667 -138.31 4.43006 -15.14 PRESSAVG: 1702400 -6.79404 -0.650982 25.8113 -0.650946 -95.0547 -15.068 25.8113 -15.068 85.1707 GPRESSAVG: 1702400 -5.63319 -0.266148 27.3177 -1.05323 -95.5053 -16.2783 24.0611 -13.2957 84.411 TIMING: 1702400 CPU: 4943.32, 0.00287959/step Wall: 4943.32, 0.00287959/step, 2.6377 hours remaining, 205.855469 MB of memory in use. ENERGY: 1702400 727.3780 2076.9127 1944.8373 97.5125 -206447.0074 17944.1417 0.0000 0.0000 34250.5152 -149405.7100 299.1183 -183656.2252 -149311.5766 298.3362 90.4155 121.9506 556943.2590 -5.5593 -5.5758 PRESSURE: 1702600 6.18695 -37.4451 70.4941 -37.4448 -81.0792 -115.512 70.4962 -115.511 111.118 GPRESSURE: 1702600 -17.6707 -63.1448 7.93764 -88.467 -52.287 -132.312 121.485 -119.926 203.953 PRESSAVG: 1702600 -3.08014 -28.7992 -1.71062 -28.7992 19.4824 0.707662 -1.71071 0.707705 19.5689 GPRESSAVG: 1702600 -4.05118 -28.3592 -3.22727 -31.2157 19.8808 1.62196 -0.390682 -2.10085 20.062 TIMING: 1702600 CPU: 4943.9, 0.00288516/step Wall: 4943.9, 0.00288516/step, 2.64264 hours remaining, 205.855469 MB of memory in use. ENERGY: 1702600 749.3108 2055.1262 1964.3877 107.4347 -206345.2871 17927.6080 0.0000 0.0000 34249.7716 -149291.6480 299.1118 -183541.4197 -149194.7435 298.2292 12.0754 44.6650 556899.6777 11.9904 11.9639 PRESSURE: 1702800 -214.765 -102.088 6.14641 -102.089 -292.149 -33.2705 6.14537 -33.2689 -330.934 GPRESSURE: 1702800 -242.865 -89.6094 42.6486 -193.688 -252.87 -31.3535 -60.7132 -2.39606 -234.924 PRESSAVG: 1702800 -9.1397 30.2248 -29.4365 30.2249 -7.62467 -35.9589 -29.4365 -35.9588 -0.336332 GPRESSAVG: 1702800 -7.88094 30.386 -30.2585 31.5651 -7.87068 -36.8111 -29.908 -36.5158 -1.48192 TIMING: 1702800 CPU: 4944.47, 0.00288272/step Wall: 4944.47, 0.00288272/step, 2.64025 hours remaining, 205.855469 MB of memory in use. ENERGY: 1702800 758.7231 2168.6001 1950.8905 110.3581 -205754.3339 17436.8525 0.0000 0.0000 34066.7377 -149262.1719 297.5133 -183328.9096 -149165.2889 299.1991 -279.2823 -243.5526 558114.4802 -5.7002 -5.7445 PRESSURE: 1703000 -89.5244 32.474 81.5674 32.4744 -181.73 -125.941 81.5685 -125.941 -106.441 GPRESSURE: 1703000 -86.6364 1.24136 94.1946 60.261 -114.492 -202.624 -4.18004 -91.8674 -77.0483 PRESSAVG: 1703000 -45.1575 -39.4203 -13.518 -39.4203 -20.036 -7.04895 -13.5179 -7.04892 56.3806 GPRESSAVG: 1703000 -45.83 -39.9252 -12.6363 -37.4615 -19.5846 -7.01716 -12.685 -7.99582 56.4325 TIMING: 1703000 CPU: 4945.05, 0.00289713/step Wall: 4945.05, 0.00289713/step, 2.65328 hours remaining, 205.855469 MB of memory in use. ENERGY: 1703000 744.3542 2104.8442 1966.8851 105.4753 -206013.4101 17589.3319 0.0000 0.0000 34238.5237 -149263.9958 299.0135 -183502.5195 -149167.7045 299.3140 -125.8984 -92.7257 557965.1661 -2.9376 -2.9940 PRESSURE: 1703200 -339.828 -113.449 136.211 -113.449 80.888 35.4259 136.21 35.4268 -107.709 GPRESSURE: 1703200 -273.569 -93.9467 123.932 -130.221 92.43 16.0898 145.207 22.9419 -89.6188 PRESSAVG: 1703200 -23.7757 25.8617 33.7687 25.8616 73.7075 40.017 33.7688 40.017 -69.0602 GPRESSAVG: 1703200 -23.237 24.7579 32.9464 25.9696 73.7403 39.4001 34.5125 41.8482 -69.2057 TIMING: 1703200 CPU: 4945.63, 0.00288157/step Wall: 4945.63, 0.00288157/step, 2.63888 hours remaining, 205.855469 MB of memory in use. ENERGY: 1703200 767.4050 2100.6279 1945.7531 107.0735 -205881.1290 17582.5031 0.0000 0.0000 34109.8188 -149267.9477 297.8895 -183377.7665 -149176.8319 299.0468 -122.2163 -90.2526 557270.6488 -6.3761 -6.2341 PRESSURE: 1703400 240.474 156.429 82.9351 156.428 177.052 144.168 82.9352 144.17 -113.083 GPRESSURE: 1703400 277.803 240.898 -17.5275 152.002 157.196 138.957 204.575 118.289 -34.7041 PRESSAVG: 1703400 -53.5402 1.03634 19.4196 1.0364 39.8695 46.3669 19.4196 46.367 32.5693 GPRESSAVG: 1703400 -53.9611 2.9445 20.0142 0.0118795 40.7056 49.1828 18.6105 46.8215 31.8689 TIMING: 1703400 CPU: 4946.21, 0.00287849/step Wall: 4946.21, 0.00287849/step, 2.63589 hours remaining, 205.855469 MB of memory in use. ENERGY: 1703400 724.1410 2113.1645 1931.1129 112.8625 -206503.8140 18035.5660 0.0000 0.0000 34367.2249 -149219.7421 300.1375 -183586.9671 -149120.9318 299.3330 101.4806 133.4315 556086.2718 6.2995 6.2045 PRESSURE: 1703600 38.6918 -180.478 41.801 -180.478 7.45 17.5727 41.8008 17.5712 -151.274 GPRESSURE: 1703600 68.6409 -97.6754 16.9639 -182.15 49.5332 -28.3148 67.0201 42.3589 -135.397 PRESSAVG: 1703600 -24.2263 5.90682 -16.8832 5.9067 3.97096 -2.45427 -16.8832 -2.45436 9.18552 GPRESSAVG: 1703600 -24.7067 6.92595 -16.6499 4.95161 3.79283 -3.24685 -18.1605 -4.27206 9.94722 TIMING: 1703600 CPU: 4946.79, 0.00290251/step Wall: 4946.79, 0.00290251/step, 2.65773 hours remaining, 205.855469 MB of memory in use. ENERGY: 1703600 777.8501 2069.5321 1975.0415 121.7629 -206491.8925 18046.2481 0.0000 0.0000 34316.9123 -149184.5454 299.6981 -183501.4577 -149088.4494 299.3069 -35.0441 -5.7408 557928.2265 -3.6899 -3.6555 PRESSURE: 1703800 57.9989 -18.0704 -117.074 -18.0715 119.962 -39.7204 -117.073 -39.7213 74.2219 GPRESSURE: 1703800 62.974 35.4698 -142.239 -20.8767 159.698 12.074 -101.914 -28.4608 125.066 PRESSAVG: 1703800 6.29892 22.3923 -22.2641 22.3923 21.2088 -12.4771 -22.2641 -12.4771 -65.2361 GPRESSAVG: 1703800 6.49413 23.1332 -24.5592 21.0527 20.5222 -13.4588 -19.9933 -11.3213 -64.7436 TIMING: 1703800 CPU: 4947.37, 0.00290382/step Wall: 4947.37, 0.00290382/step, 2.65877 hours remaining, 205.855469 MB of memory in use. ENERGY: 1703800 720.2997 2120.7269 1940.8741 113.4151 -205962.4787 17761.5182 0.0000 0.0000 34359.0679 -148946.5769 300.0663 -183305.6447 -148850.9030 300.0713 84.0610 115.9128 557300.7743 -12.5761 -12.5757 PRESSURE: 1704000 -36.148 107.68 -62.042 107.679 -28.0021 156.926 -62.0435 156.926 -55.1896 GPRESSURE: 1704000 28.7167 137.324 -35.6153 68.5669 -7.22525 47.4594 -117.731 229.106 -37.0789 PRESSAVG: 1704000 23.4434 14.5463 -31.3535 14.5463 58.9605 13.2837 -31.3535 13.2836 -53.0871 GPRESSAVG: 1704000 23.4519 12.2986 -30.5001 17.8626 59.1875 12.6506 -30.6855 13.1605 -53.1697 TIMING: 1704000 CPU: 4947.95, 0.00290479/step Wall: 4947.95, 0.00290479/step, 2.6595 hours remaining, 205.855469 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: 1704000 759.3323 2074.1950 1964.0068 108.9559 -206059.2707 17773.7540 0.0000 0.0000 34357.4389 -149021.5876 300.0521 -183379.0266 -148924.2019 300.4766 -39.7799 -5.1958 558541.9402 9.7723 9.8232 PRESSURE: 1704200 -66.3952 -57.3664 106.41 -57.3659 -223.651 23.2695 106.41 23.2702 -151.265 GPRESSURE: 1704200 -22.2674 -66.5016 177.195 -109.66 -227.463 31.0412 64.4931 11.6578 -110.574 PRESSAVG: 1704200 -9.63036 -60.9527 -58.1219 -60.9527 32.0002 25.9378 -58.1219 25.9378 -48.0175 GPRESSAVG: 1704200 -9.87745 -60.1142 -58.3738 -59.8574 32.9925 27.3631 -57.0801 24.2418 -49.5355 TIMING: 1704200 CPU: 4948.53, 0.00290193/step Wall: 4948.53, 0.00290193/step, 2.65672 hours remaining, 205.855469 MB of memory in use. ENERGY: 1704200 765.1804 2073.2742 1984.2484 120.6069 -205945.6786 17638.0458 0.0000 0.0000 34279.1044 -149085.2185 299.3679 -183364.3228 -148989.2267 299.4458 -147.1038 -120.1015 556811.7378 -8.5492 -8.8068 LDB: ============= START OF LOAD BALANCING ============== 4951.99 LDB: ============== END OF LOAD BALANCING =============== 4951.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4952 LDB: ============= START OF LOAD BALANCING ============== 4952.29 LDB: Largest compute 4821 load 0.029406 is 25.0% of average load 0.117770 LDB: Average compute 0.001716 is 1.5% of average load 0.117770 LDB: TIME 4952.29 LOAD: AVG 0.11777 MAX 0.17644 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 4952.29 LOAD: AVG 0.11777 MAX 0.17644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 4952.29 LOAD: AVG 0.11777 MAX 0.17644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4952.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4952.29 PRESSURE: 1704400 -82.7571 66.0571 78.9172 66.0569 -58.5542 11.366 78.9171 11.3655 -82.7199 GPRESSURE: 1704400 -83.3963 72.7352 82.4982 67.2887 -1.86518 71.4535 114.648 -13.7824 -57.0576 PRESSAVG: 1704400 -22.0147 30.9434 -12.1698 30.9434 25.0659 40.4427 -12.1698 40.4426 -16.4748 GPRESSAVG: 1704400 -21.5408 32.0837 -10.3416 30.898 23.3022 41.1485 -15.753 41.9611 -15.0521 TIMING: 1704400 CPU: 4949.12, 0.00295724/step Wall: 4949.12, 0.00295724/step, 2.70719 hours remaining, 206.140625 MB of memory in use. ENERGY: 1704400 724.0268 2118.8807 1965.9874 116.9570 -205896.2794 17552.2528 0.0000 0.0000 34251.1103 -149167.0644 299.1235 -183418.1747 -149066.0712 299.0252 -74.6771 -47.4397 558267.8908 -4.4745 -4.4302 PRESSURE: 1704600 -398.108 -52.4059 -118.05 -52.4054 -132.825 8.14751 -118.05 8.14922 -136.693 GPRESSURE: 1704600 -359.529 -111.121 -114.938 -49.2609 -94.5397 64.3917 -155.566 -27.6717 -107.218 PRESSAVG: 1704600 22.812 -35.9876 -35.2501 -35.9876 19.659 -11.6047 -35.2501 -11.6047 -38.7125 GPRESSAVG: 1704600 22.0648 -38.1152 -34.1449 -36.7392 20.2791 -13.5301 -35.0657 -10.8847 -37.4521 TIMING: 1704600 CPU: 4949.7, 0.00292526/step Wall: 4949.7, 0.00292526/step, 2.67775 hours remaining, 206.398438 MB of memory in use. ENERGY: 1704600 776.8835 2082.2656 1977.7450 121.5925 -205799.5561 17673.0863 0.0000 0.0000 34002.5274 -149165.4560 296.9525 -183167.9834 -149069.7436 299.3939 -222.5420 -187.0954 557163.8073 1.2528 1.6306 PRESSURE: 1704800 -150.745 -14.4291 -52.641 -14.4302 107.147 65.5768 -52.6419 65.576 -32.3157 GPRESSURE: 1704800 -100.276 -27.3462 -35.323 -0.574965 151.607 82.9661 -55.7655 11.1285 -30.8448 PRESSAVG: 1704800 -22.7898 -7.06379 -42.6094 -7.06376 -5.2235 -9.01037 -42.6093 -9.01038 -10.0866 GPRESSAVG: 1704800 -23.0369 -8.70754 -42.8072 -5.73524 -5.78423 -9.03549 -43.103 -10.0786 -9.82047 TIMING: 1704800 CPU: 4950.29, 0.00290796/step Wall: 4950.29, 0.00290796/step, 2.66176 hours remaining, 206.398438 MB of memory in use. ENERGY: 1704800 776.0461 2100.9507 1973.0041 108.5892 -206149.5932 17687.2915 0.0000 0.0000 34286.0328 -149217.6788 299.4285 -183503.7117 -149126.6695 299.0030 -25.3045 6.8287 557161.4174 -12.7000 -12.8805 PRESSURE: 1705000 -137.94 -32.5974 -63.2511 -32.5976 -52.7946 -127.775 -63.2505 -127.777 80.9305 GPRESSURE: 1705000 -76.6815 -53.2919 -24.4348 -24.8768 -8.14829 -112.405 -72.1344 -101.845 75.4769 PRESSAVG: 1705000 40.4249 -6.06268 41.0924 -6.06264 -31.7793 -31.1925 41.0923 -31.1925 39.9783 GPRESSAVG: 1705000 41.2929 -0.889284 40.1108 -8.40244 -31.2396 -30.2972 42.0157 -31.1113 38.2362 TIMING: 1705000 CPU: 4950.87, 0.00290409/step Wall: 4950.87, 0.00290409/step, 2.65804 hours remaining, 206.398438 MB of memory in use. ENERGY: 1705000 739.0099 2173.9532 1983.8626 115.8273 -206171.9000 17778.2780 0.0000 0.0000 34191.4884 -149189.4805 298.6028 -183380.9689 -149093.0538 298.9706 -36.6013 -3.1176 556733.8934 16.2080 16.0965 PRESSURE: 1705200 11.7924 -43.6375 41.9658 -43.6371 42.8849 -44.1485 41.9662 -44.1503 -33.004 GPRESSURE: 1705200 15.3715 -40.1296 5.65862 -71.8876 94.4722 36.7214 -37.9982 -159.64 -5.24618 PRESSAVG: 1705200 -20.1834 23.8818 34.8667 23.8819 12.9997 -6.90375 34.8667 -6.90379 17.124 GPRESSAVG: 1705200 -21.6101 22.4572 35.1938 24.3862 13.0456 -6.99802 35.2572 -7.16846 18.3738 TIMING: 1705200 CPU: 4951.45, 0.00290697/step Wall: 4951.45, 0.00290697/step, 2.66052 hours remaining, 206.398438 MB of memory in use. ENERGY: 1705200 743.1336 2093.5325 1942.1801 112.0603 -206254.1503 17844.8996 0.0000 0.0000 34308.4359 -149209.9083 299.6241 -183518.3442 -149106.0198 299.0697 7.2244 34.8659 557867.0280 3.3134 3.2698 PRESSURE: 1705400 -226.577 178.178 6.18632 178.178 17.854 -20.0903 6.18696 -20.0896 -67.9614 GPRESSURE: 1705400 -149.725 226.65 -76.4004 57.7932 51.9545 -52.7609 62.0319 6.51895 -77.098 PRESSAVG: 1705400 -48.9804 -12.9866 28.637 -12.9866 19.3777 -28.2255 28.6371 -28.2254 -9.75019 GPRESSAVG: 1705400 -47.3342 -13.3894 28.6624 -11.0284 19.4835 -28.0087 29.5841 -26.8588 -11.1671 TIMING: 1705400 CPU: 4952.03, 0.00289712/step Wall: 4952.03, 0.00289712/step, 2.65135 hours remaining, 206.468750 MB of memory in use. ENERGY: 1705400 751.8114 2150.8408 1917.4297 107.1797 -206093.9848 17665.4017 0.0000 0.0000 34411.4610 -149089.8605 300.5238 -183501.3215 -148995.5075 299.7228 -92.2280 -58.2896 558416.4808 -13.1176 -13.0059 PRESSURE: 1705600 -242.819 6.81351 -66.0837 6.81378 -100.945 -24.7214 -66.0829 -24.7212 -138.449 GPRESSURE: 1705600 -184.445 102.814 -50.3384 -73.1661 -51.2028 63.8599 -79.3972 2.57764 -143.811 PRESSAVG: 1705600 -37.8053 11.8624 -5.26709 11.8625 -4.235 -18.8682 -5.2672 -18.8683 23.4096 GPRESSAVG: 1705600 -38.2211 13.3243 -5.87103 9.89416 -3.8175 -18.742 -5.55352 -20.4734 22.9932 TIMING: 1705600 CPU: 4952.61, 0.00290494/step Wall: 4952.61, 0.00290494/step, 2.65834 hours remaining, 206.468750 MB of memory in use. ENERGY: 1705600 737.4638 2024.5918 1972.6533 107.1026 -205572.8470 17449.7549 0.0000 0.0000 34247.6218 -149033.6588 299.0930 -183281.2806 -148934.6369 299.5065 -160.7376 -126.4862 556902.4239 -6.2102 -6.3485 PRESSURE: 1705800 -91.6311 -6.52968 -30.5963 -6.53056 -14.978 -149.837 -30.5967 -149.837 -29.6025 GPRESSURE: 1705800 -55.637 -27.1784 -61.1809 -3.03749 61.7485 -8.59285 -43.2189 -192.477 -43.454 PRESSAVG: 1705800 -4.79304 3.65188 17.495 3.65184 -28.6773 62.5985 17.495 62.5984 18.4524 GPRESSAVG: 1705800 -4.41619 1.83654 16.7857 4.44191 -28.5102 64.0123 17.2102 60.6123 17.5607 TIMING: 1705800 CPU: 4953.19, 0.00289709/step Wall: 4953.19, 0.00289709/step, 2.65099 hours remaining, 206.468750 MB of memory in use. ENERGY: 1705800 732.6685 2109.8159 1954.3101 111.2439 -205749.4732 17561.7940 0.0000 0.0000 34209.0607 -149070.5801 298.7562 -183279.6408 -148976.6685 299.4851 -45.4038 -12.4475 555728.4110 -5.0060 -5.1219 PRESSURE: 1706000 289.299 -126.89 -12.5585 -126.888 12.7363 -47.1135 -12.558 -47.1152 -65.5747 GPRESSURE: 1706000 339.056 -56.3047 63.6228 -176.964 23.724 -170.823 -93.6169 -35.2849 -43.5678 PRESSAVG: 1706000 92.8802 -36.9671 47.3527 -36.9671 21.01 7.12331 47.3528 7.12332 -46.9515 GPRESSAVG: 1706000 92.7044 -35.3994 49.6769 -37.2588 20.4838 4.22806 46.7551 9.33459 -46.5777 TIMING: 1706000 CPU: 4953.77, 0.00289374/step Wall: 4953.77, 0.00289374/step, 2.64778 hours remaining, 206.468750 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: 1706000 731.3359 2131.3639 1962.9842 106.4102 -205818.7343 17727.6417 0.0000 0.0000 34214.0962 -148944.9021 298.8002 -183158.9983 -148852.5660 300.1566 78.8203 106.4039 556828.0190 22.3129 22.2035 PRESSURE: 1706200 81.9827 -60.9148 -5.92985 -60.9142 196.627 9.31257 -5.92974 9.31445 158.099 GPRESSURE: 1706200 130.285 60.917 -15.528 -4.09977 230.213 -77.857 45.7202 -6.05192 168.108 PRESSAVG: 1706200 31.5717 -49.8023 37.8425 -49.8022 40.718 -50.7676 37.8426 -50.7675 0.00627963 GPRESSAVG: 1706200 32.4759 -51.9894 37.3705 -48.743 40.9387 -48.9571 40.9704 -50.1477 -0.89096 TIMING: 1706200 CPU: 4954.34, 0.00288667/step Wall: 4954.34, 0.00288667/step, 2.64114 hours remaining, 206.468750 MB of memory in use. ENERGY: 1706200 760.5883 2092.1020 1980.3217 103.8346 -206100.2463 18099.0143 0.0000 0.0000 34072.9697 -148991.4157 297.5677 -183064.3854 -148894.8306 299.4235 145.5697 176.2020 556527.5820 24.0986 24.1746 PRESSURE: 1706400 25.5668 41.5046 8.26892 41.5051 -67.4864 -4.90003 8.2676 -4.89953 134.66 GPRESSURE: 1706400 139.467 32.1331 -7.26505 27.3259 -87.6228 -20.0628 16.2751 -4.32609 128.565 PRESSAVG: 1706400 29.4772 -48.4535 0.919389 -48.4534 12.7199 -64.3493 0.919492 -64.3492 -17.5181 GPRESSAVG: 1706400 29.4335 -48.49 2.01003 -49.9147 12.48 -65.9165 -2.92445 -63.9785 -17.1424 TIMING: 1706400 CPU: 4954.92, 0.00287235/step Wall: 4954.92, 0.00287235/step, 2.62788 hours remaining, 206.468750 MB of memory in use. ENERGY: 1706400 722.7138 2095.8245 1968.1485 125.1323 -205829.6176 17698.1595 0.0000 0.0000 34317.7798 -148901.8591 299.7057 -183219.6388 -148804.2365 300.1365 30.9134 60.1363 556532.9775 8.2263 8.2570 PRESSURE: 1706600 10.5759 -50.3138 -14.1101 -50.3139 16.15 -43.5436 -14.1097 -43.5428 26.0852 GPRESSURE: 1706600 47.7584 -154.634 38.5921 -30.8303 -1.39663 44.1183 19.8096 -85.0438 93.2705 PRESSAVG: 1706600 82.7115 -2.76539 -26.3806 -2.76542 -4.49839 1.44456 -26.3806 1.44456 -67.0052 GPRESSAVG: 1706600 82.2628 -5.22094 -27.9689 -1.76719 -4.22675 1.3646 -24.9657 0.238845 -66.8667 TIMING: 1706600 CPU: 4955.49, 0.00287609/step Wall: 4955.49, 0.00287609/step, 2.63115 hours remaining, 206.468750 MB of memory in use. ENERGY: 1706600 739.5737 2134.8216 1957.4677 116.9611 -205885.0230 17726.5592 0.0000 0.0000 34342.2610 -148867.3788 299.9195 -183209.6398 -148776.2117 299.7569 17.6037 46.5441 555942.8875 3.7359 3.7231 PRESSURE: 1706800 -62.792 100.497 101.102 100.497 -106.403 19.5259 101.102 19.5266 -53.115 GPRESSURE: 1706800 -18.2232 194.05 86.8863 80.7006 -24.6422 54.3176 62.4042 -2.69471 -63.7497 PRESSAVG: 1706800 -25.6466 5.7522 13.592 5.75218 -11.4228 24.0063 13.592 24.0063 64.8256 GPRESSAVG: 1706800 -26.9788 8.02791 14.2625 6.46283 -10.907 27.9616 12.535 22.5953 65.4876 TIMING: 1706800 CPU: 4956.07, 0.00288048/step Wall: 4956.07, 0.00288048/step, 2.635 hours remaining, 206.468750 MB of memory in use. ENERGY: 1706800 762.3630 2101.5520 1948.0870 124.4021 -205884.8635 17728.5097 0.0000 0.0000 34306.0096 -148913.9402 299.6029 -183219.9497 -148815.1118 300.3017 -74.1034 -35.5384 557059.5039 9.2521 9.2006 PRESSURE: 1707000 -78.823 -30.2552 37.2519 -30.2571 -35.0007 64.5628 37.25 64.5644 134.776 GPRESSURE: 1707000 22.7283 0.00334475 65.6881 -55.4351 -11.8399 40.7892 14.3433 10.6747 98.3405 PRESSAVG: 1707000 3.03488 50.3909 32.5862 50.3909 21.6566 8.43413 32.5862 8.4341 -27.6335 GPRESSAVG: 1707000 3.77688 51.4778 32.9154 50.0228 19.7136 6.45435 31.0506 9.62434 -26.3481 TIMING: 1707000 CPU: 4956.65, 0.00287837/step Wall: 4956.65, 0.00287837/step, 2.6329 hours remaining, 206.468750 MB of memory in use. ENERGY: 1707000 740.8409 2082.9859 1975.1894 113.8432 -205924.5504 17863.7890 0.0000 0.0000 34282.8966 -148865.0054 299.4011 -183147.9020 -148769.9038 299.6597 6.9842 36.4096 557785.5559 -0.9807 -0.9526 PRESSURE: 1707200 46.1313 -26.7979 -3.86691 -26.7972 -105.744 -90.4682 -3.86682 -90.4679 -145.977 GPRESSURE: 1707200 97.4156 -46.7362 -6.85938 2.77046 -73.9272 -106.866 7.37739 -79.4184 -139.234 PRESSAVG: 1707200 35.6871 -13.2057 8.38296 -13.2057 -73.8485 -24.1238 8.38301 -24.1238 23.2027 GPRESSAVG: 1707200 36.9259 -15.9943 7.37971 -11.9252 -72.2439 -23.8446 11.3619 -23.9038 20.2654 TIMING: 1707200 CPU: 4957.22, 0.0028581/step Wall: 4957.22, 0.0028581/step, 2.61421 hours remaining, 206.468750 MB of memory in use. ENERGY: 1707200 752.5645 2053.2874 1967.3663 106.1007 -206355.4152 17814.4372 0.0000 0.0000 34696.6154 -148965.0437 303.0142 -183661.6592 -148872.5220 300.1034 -68.5299 -38.5818 556842.2847 -4.9862 -5.0175 PRESSURE: 1707400 -85.8184 -43.6813 -46.5266 -43.6804 59.7102 34.2261 -46.5266 34.225 21.2326 GPRESSURE: 1707400 9.29249 -48.7896 -5.09012 6.84069 41.7251 96.1025 -36.8016 -66.5253 45.1698 PRESSAVG: 1707400 8.96446 36.3228 -14.2549 36.3228 -55.9582 -26.3165 -14.2548 -26.3166 62.9571 GPRESSAVG: 1707400 7.49414 37.697 -13.6659 34.5167 -56.0757 -26.7872 -16.2719 -26.2627 64.5492 TIMING: 1707400 CPU: 4957.79, 0.00286758/step Wall: 4957.79, 0.00286758/step, 2.62272 hours remaining, 206.468750 MB of memory in use. ENERGY: 1707400 754.7601 2124.2276 1971.6686 103.3210 -206085.8360 17842.9309 0.0000 0.0000 34479.4095 -148809.5181 301.1173 -183288.9277 -148712.3279 300.6796 -1.6252 32.0625 559268.0159 5.3211 5.3226 PRESSURE: 1707600 80.121 -60.2933 68.2907 -60.2927 -103.936 -35.7104 68.2911 -35.7116 54.4449 GPRESSURE: 1707600 103.541 -78.8349 137.608 33.6503 -110.71 -76.7151 103.603 7.44898 130.083 PRESSAVG: 1707600 14.2028 -43.4675 21.2297 -43.4674 -8.93382 4.01651 21.2297 4.01655 15.993 GPRESSAVG: 1707600 14.1163 -44.1 23.5538 -43.7019 -8.74534 4.83295 21.0787 3.9733 16.0943 TIMING: 1707600 CPU: 4958.37, 0.00288633/step Wall: 4958.37, 0.00288633/step, 2.63971 hours remaining, 206.468750 MB of memory in use. ENERGY: 1707600 730.4183 2107.3205 1959.8241 126.0194 -205884.7426 17669.0582 0.0000 0.0000 34416.2786 -148875.8235 300.5659 -183292.1020 -148773.3141 300.6495 10.2099 40.9714 557359.8393 7.0873 7.1551 PRESSURE: 1707800 -81.1917 -42.0949 -110.909 -42.0942 36.5746 -84.0041 -110.909 -84.0042 206.043 GPRESSURE: 1707800 -69.895 -101.744 -110.309 19.1403 67.192 -90.456 -114.729 -46.04 271.936 PRESSAVG: 1707800 -12.5604 -80.9233 -7.24163 -80.9232 -26.8856 5.45373 -7.24155 5.45374 35.2835 GPRESSAVG: 1707800 -11.6083 -81.399 -10.3192 -79.3956 -28.8246 3.76977 -6.0812 7.20287 35.7121 TIMING: 1707800 CPU: 4958.94, 0.00288241/step Wall: 4958.94, 0.00288241/step, 2.63597 hours remaining, 206.468750 MB of memory in use. ENERGY: 1707800 733.4638 2083.4540 1944.7155 109.6859 -206150.6725 17873.8866 0.0000 0.0000 34482.3725 -148923.0942 301.1431 -183405.4667 -148829.1096 300.6367 53.8086 89.7444 556677.6737 -1.3875 -1.5736 PRESSURE: 1708000 -80.8733 37.673 -2.63366 37.6741 -276.491 -148.498 -2.63237 -148.498 -236.063 GPRESSURE: 1708000 -66.4408 30.679 -15.4927 23.7466 -171.464 -168.417 52.7233 -131.798 -254.933 PRESSAVG: 1708000 47.2155 31.9482 15.6704 31.9483 -10.1446 -51.8309 15.6704 -51.831 -23.328 GPRESSAVG: 1708000 46.4957 33.2306 17.7918 31.3665 -10.3649 -51.1658 14.7311 -54.537 -22.5241 TIMING: 1708000 CPU: 4959.52, 0.00288059/step Wall: 4959.52, 0.00288059/step, 2.63414 hours remaining, 206.468750 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: 1708000 737.9512 2101.4686 1967.5643 124.6267 -205835.0644 17474.0408 0.0000 0.0000 34480.2112 -148949.2016 301.1243 -183429.4128 -148853.9594 300.7696 -197.8090 -164.2792 557829.6502 4.5810 4.5356 PRESSURE: 1708200 -286.112 57.3556 90.0152 57.3567 -327.653 -110.295 90.0148 -110.295 -185.613 GPRESSURE: 1708200 -187.378 89.0535 100.497 -66.5507 -328.599 -176.757 89.1927 -53.1394 -197.216 PRESSAVG: 1708200 -27.5513 19.8636 -44.7454 19.8637 -27.401 -17.4395 -44.7454 -17.4395 37.3418 GPRESSAVG: 1708200 -26.9296 18.5347 -47.0925 18.33 -27.3089 -19.802 -44.4811 -16.1501 36.573 TIMING: 1708200 CPU: 4960.1, 0.00287738/step Wall: 4960.1, 0.00287738/step, 2.63105 hours remaining, 206.468750 MB of memory in use. ENERGY: 1708200 760.8713 2129.2838 1976.5537 116.7994 -205559.6936 17283.5505 0.0000 0.0000 34337.7857 -148954.8492 299.8804 -183292.6349 -148864.0206 299.8546 -266.4593 -237.7311 557289.2332 -5.8702 -5.8885 LDB: ============= START OF LOAD BALANCING ============== 4963.56 LDB: ============== END OF LOAD BALANCING =============== 4963.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4963.56 LDB: ============= START OF LOAD BALANCING ============== 4963.85 LDB: Largest compute 4821 load 0.029742 is 25.3% of average load 0.117654 LDB: Average compute 0.001725 is 1.5% of average load 0.117654 LDB: TIME 4963.85 LOAD: AVG 0.117654 MAX 0.177981 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 4963.85 LOAD: AVG 0.117654 MAX 0.177981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 4963.85 LOAD: AVG 0.117654 MAX 0.177981 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4963.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4963.86 PRESSURE: 1708400 -143.872 -39.9841 -46.4028 -39.9831 298.541 119.617 -46.4017 119.616 16.6065 GPRESSURE: 1708400 -113.455 -67.9772 -98.4165 -102.514 367.171 162.597 -84.9022 159.659 18.8431 PRESSAVG: 1708400 -17.3388 34.3164 -41.8195 34.3163 29.278 18.911 -41.8195 18.911 9.6165 GPRESSAVG: 1708400 -18.7486 34.7698 -40.7998 34.4387 30.5548 20.2918 -42.7111 19.2538 9.9845 TIMING: 1708400 CPU: 4960.68, 0.00293763/step Wall: 4960.68, 0.00293763/step, 2.68597 hours remaining, 206.773438 MB of memory in use. ENERGY: 1708400 729.8491 2101.4746 1988.1860 125.8438 -206382.5288 17987.0627 0.0000 0.0000 34318.1906 -149131.9219 299.7093 -183450.1125 -149040.6252 300.4560 57.0917 90.8532 556874.1778 7.1852 7.2636 PRESSURE: 1708600 -173.851 132.272 -74.5184 132.272 -56.6251 -65.8226 -74.5182 -65.8238 220.476 GPRESSURE: 1708600 -71.7428 132.917 -89.3722 122.973 0.263285 -112.258 -62.6721 -7.64355 173.722 PRESSAVG: 1708600 -33.2038 16.405 33.9656 16.405 -82.8634 7.55875 33.9656 7.55882 76.7686 GPRESSAVG: 1708600 -33.1508 16.6306 35.2654 17.0645 -82.825 9.71997 33.2686 7.18829 76.3754 TIMING: 1708600 CPU: 4961.26, 0.00288594/step Wall: 4961.26, 0.00288594/step, 2.63855 hours remaining, 206.773438 MB of memory in use. ENERGY: 1708600 774.1588 2119.2733 1978.5932 104.5185 -206375.0607 17821.2172 0.0000 0.0000 34449.2352 -149128.0644 300.8537 -183577.2997 -149034.7603 300.1650 -3.3335 34.0808 555561.7570 -13.0995 -13.2001 PRESSURE: 1708800 -142.61 36.6558 -134.239 36.656 39.0855 -85.4234 -134.24 -85.4259 131.902 GPRESSURE: 1708800 -68.2687 67.17 -181.947 4.85572 4.92481 -77.9544 -154.432 -96.7461 183.066 PRESSAVG: 1708800 30.852 26.8066 16.8486 26.8066 -102.373 -39.9269 16.8486 -39.927 46.9489 GPRESSAVG: 1708800 30.7798 26.5854 13.74 27.9997 -102.831 -40.5289 18.8643 -41.8764 46.6391 TIMING: 1708800 CPU: 4961.84, 0.00288805/step Wall: 4961.84, 0.00288805/step, 2.64032 hours remaining, 206.773438 MB of memory in use. ENERGY: 1708800 712.8082 2081.5952 1951.0033 115.5086 -206558.3896 18011.9590 0.0000 0.0000 34409.4745 -149276.0407 300.5065 -183685.5152 -149178.6353 298.9368 9.4594 39.9072 557042.5508 -8.1907 -8.4708 PRESSURE: 1709000 -64.8056 52.2334 91.3404 52.2329 24.6704 14.2536 91.3395 14.2535 -199.581 GPRESSURE: 1709000 -53.0659 21.1381 78.4385 13.0812 79.9078 -17.0767 38.7918 49.5962 -171.783 PRESSAVG: 1709000 -55.9646 46.5527 -27.1116 46.5527 11.1553 -10.6437 -27.1117 -10.6437 35.5716 GPRESSAVG: 1709000 -57.3225 46.3259 -25.7196 45.1917 13.045 -11.246 -29.6715 -9.56715 35.3989 TIMING: 1709000 CPU: 4962.41, 0.0028796/step Wall: 4962.41, 0.0028796/step, 2.63244 hours remaining, 206.773438 MB of memory in use. ENERGY: 1709000 755.3675 2092.6081 1948.4839 122.4700 -206025.5186 17708.1046 0.0000 0.0000 33993.5185 -149404.9661 296.8739 -183398.4846 -149309.2060 298.8832 -79.9054 -48.3137 556615.8722 -3.0793 -2.9595 PRESSURE: 1709200 -282.748 27.5594 100.416 27.5589 -16.1181 95.6789 100.416 95.6802 -89.8523 GPRESSURE: 1709200 -254.761 -19.0161 46.5856 61.5926 -62.2198 114.12 112.83 77.9102 34.873 PRESSAVG: 1709200 -16.0684 3.19333 -0.513968 3.19323 -30.1799 -50.8719 -0.513938 -50.872 48.3681 GPRESSAVG: 1709200 -14.9962 4.66831 -1.16535 5.29761 -31.1875 -48.9093 2.48261 -49.9821 48.0372 TIMING: 1709200 CPU: 4962.99, 0.00288477/step Wall: 4962.99, 0.00288477/step, 2.637 hours remaining, 207.042969 MB of memory in use. ENERGY: 1709200 722.1462 2078.2027 1958.1371 102.7370 -206086.9126 17717.6625 0.0000 0.0000 34240.7997 -149267.2273 299.0334 -183508.0270 -149176.6784 298.9800 -129.5727 -94.0360 556176.5466 0.7066 0.6178 PRESSURE: 1709400 -70.427 -7.46985 16.0882 -7.47092 -146.968 -56.9378 16.0872 -56.9392 -14.8831 GPRESSURE: 1709400 -51.1209 17.4932 -28.735 58.8495 -137.972 -56.1054 79.3007 -50.5699 69.6497 PRESSAVG: 1709400 -24.6083 -25.0367 31.4109 -25.0367 61.0383 -3.78916 31.4109 -3.78926 -28.6431 GPRESSAVG: 1709400 -24.7125 -25.5078 30.3096 -24.7615 61.4823 -4.99323 30.8319 -4.48366 -28.3125 TIMING: 1709400 CPU: 4963.57, 0.00289928/step Wall: 4963.57, 0.00289928/step, 2.6501 hours remaining, 207.042969 MB of memory in use. ENERGY: 1709400 752.8161 2114.7533 1961.5056 112.5592 -206302.2930 17854.2751 0.0000 0.0000 34206.4168 -149299.9671 298.7331 -183506.3839 -149206.9067 298.3855 -77.4260 -39.8143 556755.5069 2.5956 2.8191 PRESSURE: 1709600 -90.9056 -82.5147 -99.5402 -82.5139 45.2121 28.7004 -99.5382 28.7006 -204.411 GPRESSURE: 1709600 -82.3543 -15.5254 -68.8214 -125.037 49.2136 77.2908 -101.494 27.3991 -106.126 PRESSAVG: 1709600 -22.162 10.1209 21.9655 10.1209 5.68441 -18.0951 21.9655 -18.0952 7.67808 GPRESSAVG: 1709600 -22.8754 10.8899 25.5862 8.90321 5.62656 -17.949 21.7373 -18.5716 8.04772 TIMING: 1709600 CPU: 4964.15, 0.00289178/step Wall: 4964.15, 0.00289178/step, 2.64308 hours remaining, 207.042969 MB of memory in use. ENERGY: 1709600 738.3196 2073.7423 1998.1892 115.0986 -205910.1450 17452.1651 0.0000 0.0000 34230.0448 -149302.5854 298.9395 -183532.6302 -149203.9729 298.7950 -83.3680 -46.4222 556194.8258 -2.9332 -3.0670 PRESSURE: 1709800 -81.8506 120.398 -14.2295 120.397 -379.169 95.5235 -14.2297 95.5237 -259.597 GPRESSURE: 1709800 -65.8514 108.535 -10.0633 179.843 -354.991 64.6947 9.69181 155.419 -202.574 PRESSAVG: 1709800 -10.2469 -59.5573 -23.2134 -59.5573 -14.9666 8.24755 -23.2133 8.2477 -41.3558 GPRESSAVG: 1709800 -9.48475 -60.6691 -25.1475 -60.2827 -15.8918 6.50843 -24.3608 9.97569 -41.6331 TIMING: 1709800 CPU: 4964.73, 0.00289565/step Wall: 4964.73, 0.00289565/step, 2.64646 hours remaining, 207.042969 MB of memory in use. ENERGY: 1709800 778.6730 2106.9164 1978.6234 107.9045 -205657.7913 17338.2057 0.0000 0.0000 34018.9964 -149328.4720 297.0964 -183347.4684 -149236.7618 298.6860 -240.2057 -207.8055 557070.4146 -22.1898 -22.3366 PRESSURE: 1710000 39.0822 -37.9688 13.2843 -37.9686 -200.334 143.76 13.2859 143.76 138.935 GPRESSURE: 1710000 103.593 -37.6193 -23.432 -53.158 -180.397 101.698 62.6398 250.578 156.433 PRESSAVG: 1710000 83.3429 15.0701 -25.1602 15.0702 -26.3029 11.59 -25.1601 11.5901 -0.400813 GPRESSAVG: 1710000 83.2937 15.5747 -25.9789 15.6393 -26.0779 12.0458 -23.0171 11.1088 -0.629867 TIMING: 1710000 CPU: 4965.31, 0.00288989/step Wall: 4965.31, 0.00288989/step, 2.64104 hours remaining, 207.042969 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: 1710000 743.6922 2071.8275 1959.6922 109.3141 -206280.2517 17833.2843 0.0000 0.0000 34112.8562 -149449.5851 297.9161 -183562.4413 -149350.1770 298.0417 -7.4389 26.5430 556374.1916 18.8797 18.8620 PRESSURE: 1710200 -96.2424 84.2892 -40.6823 84.2903 -379.574 -37.888 -40.6829 -37.8884 -435.579 GPRESSURE: 1710200 -4.38414 43.1423 -151.953 130.606 -404.388 -61.8508 -16.2375 -39.4587 -408.172 PRESSAVG: 1710200 97.1529 49.235 -37.3492 49.235 -103.604 -4.91277 -37.3492 -4.9128 -34.059 GPRESSAVG: 1710200 97.9757 48.0215 -37.4968 50.57 -103.679 -4.19402 -38.6681 -5.91795 -34.3724 TIMING: 1710200 CPU: 4965.88, 0.00288166/step Wall: 4965.88, 0.00288166/step, 2.63335 hours remaining, 207.042969 MB of memory in use. ENERGY: 1710200 763.9272 2056.2163 1983.7834 104.8755 -205795.6453 17445.5058 0.0000 0.0000 34282.1274 -149159.2098 299.3943 -183441.3372 -149064.2203 298.9348 -303.7987 -272.3148 558160.5047 -13.5034 -13.3586 PRESSURE: 1710400 -233.872 104.323 87.8766 104.322 238.989 -95.6993 87.8754 -95.6998 -193.763 GPRESSURE: 1710400 -182.838 177.598 135.959 -4.42334 225.159 -154.34 108.187 -34.9176 -128.773 PRESSAVG: 1710400 -1.98682 33.9164 45.2657 33.9165 5.3638 20.5318 45.2655 20.5317 18.2878 GPRESSAVG: 1710400 -3.14687 32.5662 46.5606 34.35 4.83604 19.8733 44.105 22.8685 19.8416 TIMING: 1710400 CPU: 4966.46, 0.00290262/step Wall: 4966.46, 0.00290262/step, 2.65235 hours remaining, 207.042969 MB of memory in use. ENERGY: 1710400 744.1222 2077.1854 1925.0590 107.9821 -206334.1591 17855.5204 0.0000 0.0000 34550.3368 -149073.9531 301.7367 -183624.2900 -148973.1327 299.9071 -62.8820 -28.8173 556579.3509 7.2216 7.1769 PRESSURE: 1710600 -87.678 -35.5217 10.5748 -35.5209 98.1088 121.769 10.5753 121.768 -83.1976 GPRESSURE: 1710600 -73.0748 -66.5251 75.1818 -36.4218 157.78 146.78 -33.9798 102.953 -51.5656 PRESSAVG: 1710600 -26.0171 -7.21218 -65.6945 -7.21219 -60.8892 17.5297 -65.6945 17.5298 20.1633 GPRESSAVG: 1710600 -27.2436 -5.48654 -67.0179 -9.82121 -59.3496 18.7006 -66.5711 16.1518 19.6201 TIMING: 1710600 CPU: 4967.04, 0.00290174/step Wall: 4967.04, 0.00290174/step, 2.65138 hours remaining, 207.042969 MB of memory in use. ENERGY: 1710600 757.1859 2150.4580 1949.7247 106.4369 -206078.6894 17751.9089 0.0000 0.0000 34375.4900 -148987.4850 300.2097 -183362.9750 -148901.6494 299.9436 -24.2556 11.0465 558490.4624 -22.2477 -22.3244 PRESSURE: 1710800 -141.244 51.5207 100.785 51.5202 212.245 -3.05855 100.785 -3.05857 -174.957 GPRESSURE: 1710800 -100.99 17.2698 26.7175 79.6205 211.952 -23.737 105.662 -18.9319 -130.592 PRESSAVG: 1710800 -24.2721 -32.0596 -40.4987 -32.0596 -23.4249 -5.54966 -40.4988 -5.54964 80.4739 GPRESSAVG: 1710800 -22.8073 -30.9532 -42.7486 -30.8784 -24.3471 -5.60626 -37.0345 -4.80915 79.3858 TIMING: 1710800 CPU: 4967.62, 0.00289158/step Wall: 4967.62, 0.00289158/step, 2.64194 hours remaining, 207.042969 MB of memory in use. ENERGY: 1710800 706.3782 2174.7616 1983.1494 124.2097 -206038.1956 17683.6992 0.0000 0.0000 34168.5914 -149197.4061 298.4028 -183365.9975 -149096.7883 299.1550 -34.6519 -6.5435 557506.6694 10.9257 10.7438 PRESSURE: 1711000 182.543 175.597 47.0162 175.597 352.144 -68.2194 47.0159 -68.2202 -143.278 GPRESSURE: 1711000 234.69 149.925 -18.4968 227.212 380.156 -100.541 110.504 -78.0807 -119.771 PRESSAVG: 1711000 -29.154 43.1771 32.2399 43.1771 61.3949 2.10241 32.2399 2.1024 -52.0024 GPRESSAVG: 1711000 -28.6532 43.0589 32.6778 42.3588 61.3273 2.14226 31.4567 1.16866 -52.5793 TIMING: 1711000 CPU: 4968.2, 0.00290231/step Wall: 4968.2, 0.00290231/step, 2.65158 hours remaining, 207.042969 MB of memory in use. ENERGY: 1711000 756.5796 2069.8665 1964.8596 110.9204 -206296.8110 17867.9231 0.0000 0.0000 34277.5254 -149249.1363 299.3542 -183526.6618 -149154.9836 299.3858 130.4698 165.0249 555569.4866 -6.5872 -6.6351 PRESSURE: 1711200 185.446 -55.1381 122.589 -55.1367 -106.564 72.2437 122.588 72.2447 273.158 GPRESSURE: 1711200 241.524 -153.499 131.989 23.6628 -89.9634 28.5253 190.585 97.4963 292.298 PRESSAVG: 1711200 42.0221 50.7843 0.412759 50.7844 -34.7465 16.0188 0.412786 16.0188 2.57711 GPRESSAVG: 1711200 40.5903 50.2779 1.55694 53.1393 -34.2456 15.9654 0.177015 15.202 3.17133 TIMING: 1711200 CPU: 4968.78, 0.00288685/step Wall: 4968.78, 0.00288685/step, 2.6373 hours remaining, 207.042969 MB of memory in use. ENERGY: 1711200 761.2536 2109.1228 1959.4417 115.3734 -206473.7906 18035.8664 0.0000 0.0000 34148.3076 -149344.4252 298.2257 -183492.7327 -149247.2593 299.2727 117.3467 147.9532 556063.8251 3.2843 3.1720 PRESSURE: 1711400 108.633 -99.4135 -87.2517 -99.4145 55.6396 -43.1648 -87.2521 -43.1655 -296.874 GPRESSURE: 1711400 127.443 -99.3977 -46.3167 -89.1923 166.614 -15.741 -106.767 -19.9465 -322.528 PRESSAVG: 1711400 23.8434 -4.77326 -12.6635 -4.77328 69.7565 35.8899 -12.6636 35.8899 -95.9317 GPRESSAVG: 1711400 23.3826 -6.03879 -12.5803 -4.7544 69.5883 34.2278 -12.3626 37.5466 -94.7657 TIMING: 1711400 CPU: 4969.36, 0.00287621/step Wall: 4969.36, 0.00287621/step, 2.62741 hours remaining, 207.042969 MB of memory in use. ENERGY: 1711400 771.7431 2108.4669 1973.0832 116.9907 -206565.2731 17755.1842 0.0000 0.0000 34309.9066 -149529.8985 299.6369 -183839.8051 -149426.7969 298.6026 -44.2007 -9.4904 555382.5151 -0.7773 -0.5983 PRESSURE: 1711600 61.6134 148.176 -84.0361 148.176 -52.2146 -10.0605 -84.0356 -10.0602 262.88 GPRESSURE: 1711600 117.178 221.393 -69.0101 139.164 -35.7828 -66.9758 -41.5424 6.28085 308.4 PRESSAVG: 1711600 26.473 -1.01148 -52.8256 -1.01147 2.82593 -26.735 -52.8256 -26.735 6.04235 GPRESSAVG: 1711600 27.9111 -0.848291 -51.6608 -3.10086 2.75376 -25.1968 -54.0741 -28.8386 5.03264 TIMING: 1711600 CPU: 4969.93, 0.00288449/step Wall: 4969.93, 0.00288449/step, 2.63482 hours remaining, 207.042969 MB of memory in use. ENERGY: 1711600 743.3444 2112.9970 1940.7900 136.9182 -206644.9803 17958.3983 0.0000 0.0000 34274.6846 -149477.8478 299.3293 -183752.5324 -149369.6317 298.0646 90.7596 129.9316 555550.9326 11.7804 11.8992 PRESSURE: 1711800 -89.2515 60.1865 6.94664 60.1872 -72.5976 -35.0408 6.94784 -35.0418 12.8268 GPRESSURE: 1711800 -54.0434 -17.7092 12.9761 104.267 -55.3828 48.2734 -60.4841 -141.172 56.037 PRESSAVG: 1711800 28.776 -27.5642 37.6466 -27.5642 -21.4814 -44.0282 37.6468 -44.0281 15.088 GPRESSAVG: 1711800 29.0213 -25.7888 36.6752 -26.3921 -22.1353 -42.6139 38.927 -45.1124 15.2452 TIMING: 1711800 CPU: 4970.51, 0.00289417/step Wall: 4970.51, 0.00289417/step, 2.6435 hours remaining, 207.042969 MB of memory in use. ENERGY: 1711800 775.7104 2065.8285 1975.2538 105.5005 -206292.5107 17849.2155 0.0000 0.0000 34015.0387 -149505.9632 297.0618 -183521.0019 -149407.1591 297.8848 -49.6741 -17.7964 556937.5087 7.4608 7.3771 PRESSURE: 1712000 62.2103 242.719 100.932 242.718 -68.932 -18.3902 100.931 -18.3895 -79.259 GPRESSURE: 1712000 81.3937 220.516 161.979 243.17 -25.1113 -85.7205 108.156 105.763 -43.2411 PRESSAVG: 1712000 26.1221 -14.8385 -39.3274 -14.8385 -15.9141 -0.34089 -39.3274 -0.340974 17.6867 GPRESSAVG: 1712000 24.6255 -13.5593 -39.4961 -17.3505 -15.1809 -2.16233 -40.2513 3.54335 18.2503 TIMING: 1712000 CPU: 4971.09, 0.00289971/step Wall: 4971.09, 0.00289971/step, 2.6484 hours remaining, 207.042969 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: 1712000 748.7796 2070.9204 1969.2232 121.1218 -206589.1374 17859.9406 0.0000 0.0000 34282.7025 -149536.4492 299.3994 -183819.1517 -149438.1596 297.5947 -28.6602 4.3471 556421.5423 9.2983 9.2316 PRESSURE: 1712200 -65.3601 -25.554 -95.2327 -25.5551 -241.821 15.2506 -95.2324 15.2496 24.3541 GPRESSURE: 1712200 7.64502 2.46598 -258.692 -82.2086 -208.811 3.35921 -0.383196 -12.4792 10.8286 PRESSAVG: 1712200 -14.4093 -24.5454 30.3111 -24.5454 -50.4044 2.26573 30.3111 2.26558 5.72901 GPRESSAVG: 1712200 -13.4642 -26.1624 31.9307 -22.6201 -51.4739 4.44702 29.6335 0.300398 6.03996 TIMING: 1712200 CPU: 4971.67, 0.00288621/step Wall: 4971.67, 0.00288621/step, 2.63591 hours remaining, 207.042969 MB of memory in use. ENERGY: 1712200 746.0937 2068.5295 1973.3360 104.7364 -205990.5824 17560.4571 0.0000 0.0000 34187.7809 -149349.6490 298.5704 -183537.4299 -149259.3949 298.1256 -94.2756 -63.4459 556847.4746 -19.6949 -19.6327 LDB: ============= START OF LOAD BALANCING ============== 4975.13 LDB: ============== END OF LOAD BALANCING =============== 4975.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4975.13 LDB: ============= START OF LOAD BALANCING ============== 4975.42 LDB: Largest compute 4821 load 0.030694 is 26.1% of average load 0.117697 LDB: Average compute 0.001720 is 1.5% of average load 0.117697 LDB: TIME 4975.43 LOAD: AVG 0.117697 MAX 0.179054 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.484 MB LDB: TIME 4975.43 LOAD: AVG 0.117697 MAX 0.179054 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 4975.43 LOAD: AVG 0.117697 MAX 0.179054 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4975.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4975.43 PRESSURE: 1712400 -4.7168 14.3131 308.477 14.3129 53.552 108.695 308.477 108.695 -0.073948 GPRESSURE: 1712400 47.0446 -54.4091 249.422 29.8362 116.972 116.958 292.295 118.512 -17.6082 PRESSAVG: 1712400 -26.1178 29.9055 26.4015 29.9054 12.5354 1.72456 26.4014 1.72466 32.9332 GPRESSAVG: 1712400 -25.8315 29.5424 25.8973 28.1872 13.0351 -0.71358 27.4028 1.39311 32.5151 TIMING: 1712400 CPU: 4972.26, 0.00294726/step Wall: 4972.26, 0.00294726/step, 2.6915 hours remaining, 207.734375 MB of memory in use. ENERGY: 1712400 724.5438 2072.0170 1942.7028 109.6588 -206221.2965 17691.9340 0.0000 0.0000 34331.7550 -149348.6851 299.8278 -183680.4401 -149241.1658 298.4524 16.2538 48.8029 556479.4969 6.4503 6.5729 PRESSURE: 1712600 -43.6653 -41.2626 25.9124 -41.2626 -110.386 56.0615 25.9119 56.0589 -40.2098 GPRESSURE: 1712600 25.4593 82.4983 140.571 -32.8611 -112.339 11.8366 -69.5826 39.1454 -7.18277 PRESSAVG: 1712600 35.8978 -50.7365 16.9013 -50.7365 20.1599 -31.8121 16.9013 -31.8122 -25.9938 GPRESSAVG: 1712600 34.7922 -50.4139 17.2961 -50.2737 20.2404 -31.8047 15.7216 -30.9644 -25.1363 TIMING: 1712600 CPU: 4972.83, 0.00288534/step Wall: 4972.83, 0.00288534/step, 2.63479 hours remaining, 207.734375 MB of memory in use. ENERGY: 1712600 699.8070 2075.0771 1952.2205 116.7794 -206115.3953 17685.3786 0.0000 0.0000 34195.3174 -149390.8154 298.6362 -183586.1327 -149294.5286 298.2478 -64.7538 -31.3541 556865.2339 10.0213 9.9654 PRESSURE: 1712800 -86.5109 -248.243 20.6714 -248.243 32.008 35.6475 20.6701 35.6465 -44.1898 GPRESSURE: 1712800 -0.382038 -278.849 56.1623 -272.194 88.0983 -74.4113 -15.5567 -44.8339 -81.1683 PRESSAVG: 1712800 -78.9017 -32.3442 52.4512 -32.3443 94.113 5.56776 52.4512 5.56773 8.94837 GPRESSAVG: 1712800 -78.6884 -33.346 53.5825 -31.9827 93.3519 7.35184 52.2999 2.79477 9.4197 TIMING: 1712800 CPU: 4973.41, 0.002889/step Wall: 4973.41, 0.002889/step, 2.63798 hours remaining, 207.734375 MB of memory in use. ENERGY: 1712800 696.9534 2023.4953 1946.3135 126.0569 -206194.5771 17747.2529 0.0000 0.0000 34211.4146 -149443.0905 298.7768 -183654.5051 -149346.5671 298.4211 -32.8976 2.1827 556797.5727 8.0532 8.0277 PRESSURE: 1713000 10.2803 -37.897 -42.7815 -37.8969 295.846 196.424 -42.7807 196.424 68.6944 GPRESSURE: 1713000 10.6442 -18.946 -121.6 -93.3971 343.965 235.309 -5.65701 231.376 117.859 PRESSAVG: 1713000 -40.0144 -14.4649 -8.74243 -14.4649 52.3441 16.0161 -8.74251 16.0161 12.559 GPRESSAVG: 1713000 -39.6646 -14.1517 -12.3623 -15.4338 52.7794 14.2164 -6.28308 17.5685 12.5207 TIMING: 1713000 CPU: 4973.99, 0.00288529/step Wall: 4973.99, 0.00288529/step, 2.63443 hours remaining, 207.734375 MB of memory in use. ENERGY: 1713000 700.9949 2075.8899 1977.3186 117.3752 -206197.2312 18018.8226 0.0000 0.0000 33895.4812 -149411.3487 296.0177 -183306.8299 -149316.2132 298.2107 124.9403 157.4894 557139.8789 8.2962 8.5452 PRESSURE: 1713200 142.457 -1.12482 85.7996 -1.12299 151.392 2.40089 85.8008 2.39848 108.167 GPRESSURE: 1713200 135.495 27.3114 83.1872 0.881964 192.612 -27.4233 86.0521 -5.90865 160.926 PRESSAVG: 1713200 -12.7665 10.5996 20.8468 10.5997 7.11797 -6.7275 20.8467 -6.72741 5.98648 GPRESSAVG: 1713200 -13.3296 7.99207 22.9592 14.1813 7.08507 -5.16595 20.8547 -6.52744 6.43425 TIMING: 1713200 CPU: 4974.57, 0.0028912/step Wall: 4974.57, 0.0028912/step, 2.63967 hours remaining, 207.734375 MB of memory in use. ENERGY: 1713200 712.6433 2092.5018 1970.3241 109.8489 -206490.6722 18004.3697 0.0000 0.0000 34197.8192 -149403.1652 298.6581 -183600.9844 -149306.6445 298.3464 134.0058 163.0110 557084.4891 0.1126 0.0632 PRESSURE: 1713400 -195.186 44.6899 137.521 44.6899 117.145 56.2751 137.521 56.2772 -205.147 GPRESSURE: 1713400 -202.516 35.9024 57.8325 -6.23179 192.487 17.1701 121.843 192.264 -186.55 PRESSAVG: 1713400 -58.5856 2.69893 19.5267 2.69894 59.6098 -17.7393 19.5267 -17.7393 10.3813 GPRESSAVG: 1713400 -58.1608 5.31313 16.3662 0.433712 59.5523 -18.1872 20.6511 -17.2481 9.63979 TIMING: 1713400 CPU: 4975.15, 0.00289209/step Wall: 4975.15, 0.00289208/step, 2.64031 hours remaining, 207.734375 MB of memory in use. ENERGY: 1713400 757.2461 2046.5011 1979.7835 116.8217 -206449.2603 17797.8289 0.0000 0.0000 34313.5926 -149437.4864 299.6691 -183751.0789 -149344.8097 298.3885 -94.3960 -65.5261 556405.4886 3.8018 3.6771 PRESSURE: 1713600 -85.8975 110.722 -22.2888 110.722 304.067 -45.6976 -22.2887 -45.6982 6.66894 GPRESSURE: 1713600 -41.618 161.023 24.2536 121.297 314.929 -15.0355 -43.7856 -22.985 54.0293 PRESSAVG: 1713600 2.05447 -5.46327 10.0973 -5.46316 -4.96167 32.5213 10.0973 32.5212 2.14647 GPRESSAVG: 1713600 2.86841 -4.1518 12.3959 -6.84305 -5.51968 30.5822 8.25302 32.2487 2.34071 TIMING: 1713600 CPU: 4975.72, 0.00288851/step Wall: 4975.72, 0.00288851/step, 2.63689 hours remaining, 207.734375 MB of memory in use. ENERGY: 1713600 729.3200 2056.5357 1968.6916 129.9369 -206362.2431 17900.6584 0.0000 0.0000 34161.4964 -149415.6042 298.3408 -183577.1006 -149316.2090 298.5419 74.9460 109.1133 557981.4188 -0.2536 -0.1035 PRESSURE: 1713800 131.685 -126.979 34.5232 -126.98 116.909 59.2543 34.5229 59.2541 31.2497 GPRESSURE: 1713800 170.681 -171.23 10.2932 -38.202 147.112 110.221 -26.9464 90.3378 53.8384 PRESSAVG: 1713800 -72.5802 -40.3123 -38.7398 -40.3121 1.55111 31.8501 -38.7398 31.8502 47.3557 GPRESSAVG: 1713800 -72.8853 -40.0488 -39.427 -39.6835 2.58094 33.5958 -38.7347 32.3283 46.5685 TIMING: 1713800 CPU: 4976.3, 0.00287667/step Wall: 4976.3, 0.00287667/step, 2.62592 hours remaining, 207.734375 MB of memory in use. ENERGY: 1713800 736.8483 2123.2009 1959.5494 108.2025 -206476.9746 17963.8098 0.0000 0.0000 34251.6354 -149333.7283 299.1281 -183585.3638 -149240.5281 298.7112 93.2812 123.8771 554879.8326 -7.8911 -7.9120 PRESSURE: 1714000 98.8775 92.4373 -26.8464 92.4377 -162.515 -37.208 -26.8464 -37.2067 -4.5365 GPRESSURE: 1714000 170.799 109.195 17.8133 7.13368 -157.204 -100.827 -60.8697 31.5205 -2.31908 PRESSAVG: 1714000 12.8677 -29.4442 -10.0741 -29.4443 -32.2723 13.7519 -10.0742 13.7517 -4.41793 GPRESSAVG: 1714000 13.3481 -32.0462 -8.73596 -27.3945 -32.7889 13.036 -10.8603 14.1812 -4.50236 TIMING: 1714000 CPU: 4976.87, 0.00287116/step Wall: 4976.87, 0.00287116/step, 2.62073 hours remaining, 207.734375 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: 1714000 739.0139 2054.8480 1992.7925 120.1527 -206427.1199 17790.0849 0.0000 0.0000 34399.8485 -149330.3793 300.4224 -183730.2278 -149239.0768 298.2633 -22.7246 3.7585 557477.2247 -7.9408 -7.9811 PRESSURE: 1714200 214.084 -34.9209 52.1214 -34.9211 -111.932 -0.386042 52.1216 -0.385481 -196.438 GPRESSURE: 1714200 232.047 -67.9174 89.0656 -79.5447 -88.5791 -37.7304 -37.7907 29.6688 -136.104 PRESSAVG: 1714200 82.8091 -78.0368 34.9082 -78.0368 -67.6057 -36.3147 34.9082 -36.3145 -50.4291 GPRESSAVG: 1714200 82.6579 -75.8496 34.4779 -79.4199 -67.5107 -33.2813 35.3002 -37.9391 -50.1814 TIMING: 1714200 CPU: 4977.45, 0.00289994/step Wall: 4977.45, 0.00289994/step, 2.64684 hours remaining, 207.734375 MB of memory in use. ENERGY: 1714200 728.9601 2056.9682 2008.2896 127.8345 -206428.2755 17799.8498 0.0000 0.0000 34375.0362 -149331.3371 300.2057 -183706.3734 -149231.0460 298.5304 -31.4288 2.4545 557350.1306 -11.7419 -11.6780 PRESSURE: 1714400 -203.201 79.4724 114.065 79.4725 71.8123 90.6538 114.066 90.6556 85.9926 GPRESSURE: 1714400 -179.597 9.90345 118.418 154.069 23.4622 136.787 112.251 84.3664 190.513 PRESSAVG: 1714400 27.7401 26.2339 59.2834 26.2339 -79.4528 -5.1648 59.2834 -5.16477 41.1863 GPRESSAVG: 1714400 26.6051 24.8099 61.1567 27.5033 -79.4928 -9.56993 58.88 -2.35902 42.1986 TIMING: 1714400 CPU: 4978.03, 0.00288335/step Wall: 4978.03, 0.00288335/step, 2.63154 hours remaining, 207.734375 MB of memory in use. ENERGY: 1714400 743.7128 2116.3090 1965.5314 111.4302 -206382.4974 17847.5914 0.0000 0.0000 34095.0983 -149502.8244 297.7610 -183597.9228 -149405.9553 298.7203 -15.1319 11.4595 557452.5910 -3.5088 -3.5630 PRESSURE: 1714600 108.934 182.728 -189.167 182.73 -403.093 2.1328 -189.167 2.13321 -221.695 GPRESSURE: 1714600 127.104 212.93 -146.496 110.508 -341.14 39.997 -178.165 -22.6225 -200.114 PRESSAVG: 1714600 -1.30589 -4.47208 -9.03318 -4.47198 -25.9683 -54.7346 -9.03321 -54.7346 48.1332 GPRESSAVG: 1714600 -1.64766 -3.23349 -10.8906 -6.44741 -24.3328 -53.7824 -7.88957 -55.2004 47.0702 TIMING: 1714600 CPU: 4978.61, 0.00288438/step Wall: 4978.61, 0.00288438/step, 2.63232 hours remaining, 207.734375 MB of memory in use. ENERGY: 1714600 768.2203 2080.7484 1978.3065 117.6742 -206211.9481 17579.7820 0.0000 0.0000 34060.5000 -149626.7166 297.4588 -183687.2166 -149529.8317 298.0243 -171.9512 -138.0499 558322.7296 6.9530 7.0299 PRESSURE: 1714800 -249.041 -102.186 -39.2352 -102.186 -83.0898 -81.4623 -39.2347 -81.4604 71.3996 GPRESSURE: 1714800 -203.095 -52.9255 -7.1291 -30.88 -123.624 -162.986 -22.1267 -12.3171 159.274 PRESSAVG: 1714800 -70.3953 35.7971 -24.3993 35.7971 7.81391 -6.67869 -24.3993 -6.67854 64.725 GPRESSAVG: 1714800 -69.8784 34.972 -24.229 36.5011 6.12476 -6.90805 -25.3886 -8.07171 65.3413 TIMING: 1714800 CPU: 4979.19, 0.00290525/step Wall: 4979.19, 0.00290525/step, 2.6512 hours remaining, 207.734375 MB of memory in use. ENERGY: 1714800 736.1140 2102.6230 1986.2982 114.5880 -206385.9550 17720.6894 0.0000 0.0000 34282.8310 -149442.8114 299.4005 -183725.6424 -149345.5517 298.2355 -86.9105 -55.8152 554762.5035 0.7145 0.5292 PRESSURE: 1715000 169.877 148.247 44.0195 148.247 35.0968 -63.0077 44.0202 -63.0066 104.9 GPRESSURE: 1715000 190.875 216.605 114.817 189.178 73.6524 -17.1567 -22.1966 -116.017 155.308 PRESSAVG: 1715000 17.566 -0.545115 14.471 -0.545071 -18.1497 16.2308 14.4711 16.2309 13.5551 GPRESSAVG: 1715000 17.526 0.85475 15.3194 -1.35555 -17.2275 17.6086 13.1724 16.2795 13.1461 TIMING: 1715000 CPU: 4979.77, 0.00289249/step Wall: 4979.77, 0.00289249/step, 2.63939 hours remaining, 207.734375 MB of memory in use. ENERGY: 1715000 757.2250 2081.3756 1954.6779 117.6254 -206338.9589 18010.3595 0.0000 0.0000 34116.6907 -149301.0049 297.9495 -183417.6956 -149202.5610 299.0571 103.2910 139.9451 556551.4982 4.3238 4.4815 PRESSURE: 1715200 33.0487 118.54 -99.1748 118.539 305.011 17.0635 -99.1752 17.064 -53.5397 GPRESSURE: 1715200 51.4552 201.036 -64.7442 64.3326 317.146 99.834 -146.035 28.7561 0.972624 PRESSAVG: 1715200 72.1784 5.54707 -35.5096 5.5471 19.7845 -8.14249 -35.5096 -8.14251 -48.8847 GPRESSAVG: 1715200 72.3367 4.2514 -35.3388 4.63116 19.473 -8.52345 -33.5318 -8.5821 -48.9359 TIMING: 1715200 CPU: 4980.34, 0.00287751/step Wall: 4980.34, 0.00287751/step, 2.62557 hours remaining, 207.734375 MB of memory in use. ENERGY: 1715200 734.0924 2124.3062 1963.8950 103.5112 -206508.6731 18007.5938 0.0000 0.0000 34255.6473 -149319.6273 299.1631 -183575.2746 -149234.8534 299.2099 94.8402 123.1914 556335.5130 14.3594 14.2913 PRESSURE: 1715400 -203.417 -0.179203 -118.102 -0.178026 -111.354 37.7606 -118.101 37.7605 -27.3089 GPRESSURE: 1715400 -180.457 33.4664 -53.3123 -13.6626 -68.8295 68.1092 -140.578 27.5858 -3.53869 PRESSAVG: 1715400 -9.47615 17.1557 -42.8772 17.1557 -11.8788 22.4678 -42.8771 22.4679 24.087 GPRESSAVG: 1715400 -9.17217 16.149 -43.1038 18.8838 -12.2862 24.407 -44.0685 21.8409 23.6961 TIMING: 1715400 CPU: 4980.92, 0.00288082/step Wall: 4980.92, 0.00288082/step, 2.62843 hours remaining, 207.863281 MB of memory in use. ENERGY: 1715400 747.0544 2101.1447 1974.6170 110.8656 -206435.0310 17770.7829 0.0000 0.0000 34445.9464 -149284.6200 300.8250 -183730.5664 -149200.2559 299.2369 -114.0267 -84.2752 555096.2790 0.9107 0.7459 PRESSURE: 1715600 -197.408 69.1431 -113.119 69.1431 -44.088 210.187 -113.119 210.188 -182.94 GPRESSURE: 1715600 -146.539 113.547 -168.31 21.359 -48.0023 174.457 -72.4195 219.157 -123.406 PRESSAVG: 1715600 29.077 36.2074 -3.76559 36.2073 46.8361 17.1331 -3.76563 17.1331 -25.6922 GPRESSAVG: 1715600 29.3389 36.974 -2.26041 37.8763 47.83 13.4958 -3.89322 19.4198 -25.9512 TIMING: 1715600 CPU: 4981.5, 0.00288797/step Wall: 4981.5, 0.00288797/step, 2.63479 hours remaining, 207.863281 MB of memory in use. ENERGY: 1715600 747.5128 2119.5177 1973.4754 99.5142 -206081.8657 17600.2355 0.0000 0.0000 34069.7473 -149471.8628 297.5396 -183541.6101 -149381.6460 298.1593 -141.4785 -105.9824 556624.3563 16.7403 17.0726 PRESSURE: 1715800 -133.628 115.755 16.9946 115.754 -1.65521 75.5175 16.9943 75.517 -107.591 GPRESSURE: 1715800 -93.3396 114.284 -96.4572 164.059 18.095 11.699 85.7864 147.378 -79.9424 PRESSAVG: 1715800 15.8984 11.4613 -34.72 11.4613 24.5279 10.5553 -34.72 10.5554 -13.2592 GPRESSAVG: 1715800 15.9467 9.55089 -34.6432 10.8468 24.3409 10.2797 -34.4805 9.50507 -12.9924 TIMING: 1715800 CPU: 4982.07, 0.00287713/step Wall: 4982.07, 0.00287713/step, 2.62474 hours remaining, 207.863281 MB of memory in use. ENERGY: 1715800 737.6836 2110.1697 1957.8196 108.2242 -206061.7420 17727.8120 0.0000 0.0000 33918.2239 -149501.8090 296.2163 -183420.0329 -149404.5528 298.2844 -80.9582 -51.7290 557826.9802 9.0557 9.0984 PRESSURE: 1716000 152.987 -76.4537 26.8756 -76.4542 -37.297 -43.6078 26.8745 -43.6084 69.3057 GPRESSURE: 1716000 164.034 -69.139 4.39289 -113.231 10.3305 -15.5223 -2.19679 -55.5731 109.129 PRESSAVG: 1716000 -9.89662 -15.991 3.78248 -15.991 23.5509 -23.3283 3.7824 -23.3283 28.6772 GPRESSAVG: 1716000 -10.659 -14.4962 0.660353 -17.9511 23.4547 -19.9242 6.60652 -25.8265 29.2269 TIMING: 1716000 CPU: 4982.65, 0.00287838/step Wall: 4982.65, 0.00287838/step, 2.62572 hours remaining, 207.863281 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: 1716000 766.8242 2044.6555 1975.5797 100.4005 -206868.7784 18160.0736 0.0000 0.0000 34213.4649 -149607.7800 298.7947 -183821.2449 -149508.3088 298.0991 61.6651 94.4980 556652.6903 14.1105 14.0075 PRESSURE: 1716200 -234.701 138.812 -8.95864 138.812 -308.363 -233.724 -8.95933 -233.724 95.6795 GPRESSURE: 1716200 -169.43 27.0249 19.7739 152.655 -313.063 -227.81 -47.716 -192.835 126.352 PRESSAVG: 1716200 11.2799 -25.2778 -0.0878856 -25.2778 -58.3447 -0.476385 -0.0878292 -0.476387 42.0453 GPRESSAVG: 1716200 11.5402 -24.8372 -0.77049 -24.9605 -58.557 -1.40176 -0.169544 0.614065 41.957 TIMING: 1716200 CPU: 4983.22, 0.00288702/step Wall: 4983.22, 0.00288702/step, 2.63344 hours remaining, 207.863281 MB of memory in use. ENERGY: 1716200 746.0479 2060.0304 1971.9614 109.1286 -206365.3353 17651.1449 0.0000 0.0000 34162.9518 -149664.0703 298.3536 -183827.0221 -149570.2059 297.6369 -149.1281 -118.7138 557056.7713 -1.6732 -1.6866 LDB: ============= START OF LOAD BALANCING ============== 4986.69 LDB: ============== END OF LOAD BALANCING =============== 4986.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4986.69 LDB: ============= START OF LOAD BALANCING ============== 4986.98 LDB: Largest compute 4821 load 0.029724 is 25.2% of average load 0.117751 LDB: Average compute 0.001729 is 1.5% of average load 0.117751 LDB: TIME 4986.98 LOAD: AVG 0.117751 MAX 0.176002 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.746 MB LDB: TIME 4986.98 LOAD: AVG 0.117751 MAX 0.176002 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 4986.98 LOAD: AVG 0.117751 MAX 0.176002 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4986.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4986.99 PRESSURE: 1716400 -174.602 88.293 -43.7236 88.294 -233.659 -11.8606 -43.7228 -11.8586 -152.377 GPRESSURE: 1716400 -175.372 103.288 15.9039 140.896 -206.065 56.1869 -104.982 -89.8541 -68.8323 PRESSAVG: 1716400 -75.3747 -48.863 -33.6771 -48.863 0.179235 -1.48694 -33.6771 -1.48682 59.1294 GPRESSAVG: 1716400 -76.1336 -51.642 -29.967 -46.0642 0.931757 -3.0466 -36.6575 0.264367 59.1081 TIMING: 1716400 CPU: 4983.81, 0.00294746/step Wall: 4983.81, 0.00294746/step, 2.68841 hours remaining, 205.617188 MB of memory in use. ENERGY: 1716400 740.2615 2038.7279 1964.0003 93.4961 -206378.0491 17656.8787 0.0000 0.0000 34163.6890 -149720.9955 298.3600 -183884.6844 -149619.4723 297.5705 -186.8796 -150.0897 558817.7650 -5.3553 -5.3646 PRESSURE: 1716600 39.4513 106.542 89.9947 106.543 -4.63181 -17.0524 89.9967 -17.0528 12.4295 GPRESSURE: 1716600 41.1856 42.2133 75.1495 86.0055 30.483 -26.6295 74.1196 -15.0947 75.0576 PRESSAVG: 1716600 -20.39 15.956 3.63994 15.956 47.8224 -17.2863 3.63996 -17.2864 -11.317 GPRESSAVG: 1716600 -19.2765 18.9245 -0.521805 14.7083 47.4658 -16.221 7.59479 -17.2928 -12.0773 TIMING: 1716600 CPU: 4984.39, 0.0028767/step Wall: 4984.39, 0.0028767/step, 2.62371 hours remaining, 205.859375 MB of memory in use. ENERGY: 1716600 721.8659 2050.7855 1949.9332 112.8416 -206653.9414 17962.5234 0.0000 0.0000 34209.5693 -149646.4224 298.7607 -183855.9916 -149555.4397 297.7963 15.7497 48.9088 557671.6451 5.3718 5.3707 PRESSURE: 1716800 -220.712 28.8368 -149.566 28.8377 78.0749 16.2533 -149.566 16.2548 25.8883 GPRESSURE: 1716800 -113.601 163.595 -165.146 -45.908 53.6426 -43.3735 -161.007 11.3665 47.8483 PRESSAVG: 1716800 -13.7524 -14.4491 -53.8593 -14.449 -8.1592 -1.46439 -53.8593 -1.4645 33.7145 GPRESSAVG: 1716800 -14.0708 -13.2221 -53.6516 -12.5747 -7.74981 -1.98793 -56.1315 -2.03226 34.2019 TIMING: 1716800 CPU: 4984.96, 0.00287892/step Wall: 4984.96, 0.00287892/step, 2.62558 hours remaining, 205.859375 MB of memory in use. ENERGY: 1716800 770.2371 2077.8104 1968.3519 114.8697 -206720.9988 17969.6624 0.0000 0.0000 34272.7349 -149547.3325 299.3123 -183820.0674 -149450.4115 298.4110 -38.9163 -4.0368 557626.6652 3.9343 4.1271 PRESSURE: 1717000 -102.812 69.6004 258.202 69.5997 34.8277 114.489 258.201 114.491 -116.143 GPRESSURE: 1717000 -99.8402 64.637 269.487 -30.6102 65.8949 105.025 275.851 166.845 -50.8794 PRESSAVG: 1717000 80.1069 21.2368 44.1281 21.2367 -72.9155 4.00898 44.1281 4.00889 -16.3558 GPRESSAVG: 1717000 79.6824 17.7972 45.0181 19.0582 -73.5545 4.32056 43.3424 3.52455 -15.3758 TIMING: 1717000 CPU: 4985.54, 0.00288182/step Wall: 4985.54, 0.00288182/step, 2.62806 hours remaining, 205.859375 MB of memory in use. ENERGY: 1717000 751.0398 2081.5738 1959.8445 116.1160 -206435.0793 17818.6182 0.0000 0.0000 34216.8384 -149491.0487 298.8242 -183707.8871 -149394.2450 299.3819 -61.3757 -28.2749 556177.8276 -3.0548 -3.0826 PRESSURE: 1717200 -144.126 127.318 17.6969 127.318 -401.602 -106.826 17.697 -106.826 -319.618 GPRESSURE: 1717200 -139.647 195.812 -2.23223 214.807 -354.107 -68.1412 13.5473 -166.786 -276.218 PRESSAVG: 1717200 34.4367 -4.40527 14.5263 -4.40522 -21.0344 10.0788 14.5264 10.0787 -19.913 GPRESSAVG: 1717200 35.7266 -3.08729 15.6833 -1.61642 -21.154 10.4395 15.4499 10.2371 -20.9033 TIMING: 1717200 CPU: 4986.12, 0.00287769/step Wall: 4986.12, 0.00287769/step, 2.62413 hours remaining, 205.859375 MB of memory in use. ENERGY: 1717200 733.1989 2149.8712 1980.7254 119.1067 -206122.6530 17691.3329 0.0000 0.0000 33985.8387 -149462.5792 296.8068 -183448.4179 -149373.0215 298.8102 -288.4486 -256.6571 557794.5962 -2.1702 -2.1102 PRESSURE: 1717400 -46.1783 -94.5961 87.9339 -94.5971 -41.3652 -33.4645 87.9338 -33.4651 -135.656 GPRESSURE: 1717400 6.75507 -69.2162 23.6274 -64.3022 6.17162 -66.6901 32.574 -58.5591 -121.992 PRESSAVG: 1717400 -9.06851 -22.2952 31.9655 -22.2952 4.36716 -12.7633 31.9655 -12.7635 -31.8828 GPRESSAVG: 1717400 -9.40666 -21.4869 29.2838 -22.6908 5.4067 -13.509 31.2727 -12.4919 -32.3759 TIMING: 1717400 CPU: 4986.69, 0.0028873/step Wall: 4986.69, 0.0028873/step, 2.63274 hours remaining, 205.859375 MB of memory in use. ENERGY: 1717400 718.5987 2075.7845 1952.0043 120.0568 -206489.3287 17824.3463 0.0000 0.0000 34410.7899 -149387.7482 300.5180 -183798.5381 -149289.3503 299.0621 -74.3997 -36.3552 557456.7241 -12.1947 -12.1253 PRESSURE: 1717600 -81.7106 -177.934 -71.9157 -177.934 -349.769 -60.0071 -71.9162 -60.0055 -156.816 GPRESSURE: 1717600 -63.9181 -132.683 -50.4364 -155.229 -363.602 47.7967 -87.3589 -165.569 -58.8074 PRESSAVG: 1717600 40.3723 -4.87118 -5.28244 -4.87113 -58.8834 -56.3214 -5.28248 -56.3215 -29.2197 GPRESSAVG: 1717600 39.7297 -3.25829 -3.9386 -6.4512 -60.378 -58.0003 -5.66543 -54.7411 -27.0389 TIMING: 1717600 CPU: 4987.27, 0.00289843/step Wall: 4987.27, 0.00289843/step, 2.64272 hours remaining, 205.964844 MB of memory in use. ENERGY: 1717600 762.0035 2048.5639 1981.3435 117.7285 -206240.2530 17728.8111 0.0000 0.0000 34232.8141 -149368.9884 298.9637 -183601.8025 -149279.4772 299.1031 -196.0985 -162.1091 558238.8475 -15.9103 -15.8957 PRESSURE: 1717800 -67.1438 23.0026 -94.1491 23.0027 176.857 77.0383 -94.1485 77.0368 222.248 GPRESSURE: 1717800 -19.3812 81.4359 -90.3102 -27.7629 243.549 51.8557 -141.697 61.7318 195.506 PRESSAVG: 1717800 13.2796 -71.5402 -5.45685 -71.5403 -29.7662 -4.45332 -5.45686 -4.45337 21.7383 GPRESSAVG: 1717800 13.378 -70.9742 -4.45478 -73.1932 -28.0195 -0.499117 -5.67096 -5.50285 19.1634 TIMING: 1717800 CPU: 4987.85, 0.00289407/step Wall: 4987.85, 0.00289407/step, 2.63859 hours remaining, 205.964844 MB of memory in use. ENERGY: 1717800 748.7565 2084.7097 1996.8953 113.2892 -206842.9350 18172.4745 0.0000 0.0000 34406.3519 -149320.4580 300.4792 -183726.8099 -149225.6420 298.8221 110.6536 139.8911 558154.4764 1.7506 1.5073 PRESSURE: 1718000 77.1351 -131.675 -85.8072 -131.675 -25.4938 3.05807 -85.807 3.05933 -73.7533 GPRESSURE: 1718000 187.849 -163.47 -149.654 -92.9677 -34.9504 -16.3908 -14.3584 57.2983 -73.2643 PRESSAVG: 1718000 -19.9846 -20.0228 37.5523 -20.0228 -12.1543 37.326 37.5524 37.326 -1.48354 GPRESSAVG: 1718000 -19.9391 -19.6744 38.2529 -18.0388 -12.2629 36.1983 37.7313 38.5487 -1.08909 TIMING: 1718000 CPU: 4988.43, 0.00288422/step Wall: 4988.43, 0.00288422/step, 2.62945 hours remaining, 205.964844 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: 1718000 705.7996 2077.8566 1990.3800 119.5737 -206017.7195 17711.5552 0.0000 0.0000 34190.6615 -149221.8927 298.5956 -183412.5543 -149118.6887 298.8852 -7.3707 26.5446 557512.9431 -11.2075 -11.0970 PRESSURE: 1718200 59.8849 -14.5518 -158.224 -14.5533 -138.95 -28.8028 -158.225 -28.804 -72.7307 GPRESSURE: 1718200 18.0233 -28.0706 -32.964 -46.1769 -110.882 -60.7731 -235.522 -18.3362 30.5914 PRESSAVG: 1718200 -11.6484 7.07476 -70.9817 7.07471 15.3183 -1.41773 -70.9817 -1.41785 5.94268 GPRESSAVG: 1718200 -11.9641 4.11872 -73.9731 7.01208 15.1999 -1.57345 -69.3989 -4.90362 5.92381 TIMING: 1718200 CPU: 4989.01, 0.00289829/step Wall: 4989.01, 0.00289829/step, 2.64212 hours remaining, 206.222656 MB of memory in use. ENERGY: 1718200 747.5518 2066.8881 1980.1147 116.9172 -205924.9299 17687.4802 0.0000 0.0000 34112.3412 -149213.6366 297.9116 -183325.9778 -149123.0518 299.4794 -50.5987 -20.7557 557668.5715 3.2042 3.0532 PRESSURE: 1718400 -293.851 0.526453 159.512 0.526517 177.963 -31.8016 159.512 -31.801 413.402 GPRESSURE: 1718400 -169.046 -48.3622 249.553 -30.9467 172.28 45.5742 62.0523 -104.724 396.068 PRESSAVG: 1718400 -52.5903 -68.4674 -17.0785 -68.4673 -22.4542 24.5243 -17.0787 24.5244 76.7041 GPRESSAVG: 1718400 -54.0786 -66.3893 -12.2479 -70.4849 -22.9281 23.5098 -19.5369 25.6536 78.227 TIMING: 1718400 CPU: 4989.59, 0.00290579/step Wall: 4989.59, 0.00290579/step, 2.64878 hours remaining, 206.222656 MB of memory in use. ENERGY: 1718400 728.5207 2056.2541 1935.6493 110.6953 -206590.2879 18084.6130 0.0000 0.0000 34140.0792 -149534.4763 298.1538 -183674.5555 -149437.8584 298.2840 99.1712 133.1009 557619.8348 0.5532 0.4068 PRESSURE: 1718600 -67.98 -103.632 -206.822 -103.633 -164.178 11.3218 -206.821 11.3222 5.04842 GPRESSURE: 1718600 51.3989 -58.2887 -226.761 -86.6174 -177.529 34.3163 -141.332 0.957044 -8.50229 PRESSAVG: 1718600 -15.8477 70.1029 -40.4971 70.1029 0.0103681 26.5344 -40.497 26.5343 53.5631 GPRESSAVG: 1718600 -14.3757 69.8765 -41.5772 71.5022 -0.281021 25.9246 -42.2251 28.0163 52.6456 TIMING: 1718600 CPU: 4990.17, 0.00288909/step Wall: 4990.17, 0.00288909/step, 2.6334 hours remaining, 206.222656 MB of memory in use. ENERGY: 1718600 712.4475 2074.3082 1942.5721 109.3089 -206226.7682 17750.7834 0.0000 0.0000 33969.5118 -149667.8362 296.6642 -183637.3481 -149574.5474 297.4688 -75.7031 -44.8774 557951.1511 12.5752 12.6630 PRESSURE: 1718800 222.519 150.144 52.9178 150.143 118.807 -56.8286 52.9181 -56.8296 -23.364 GPRESSURE: 1718800 188.373 138.706 33.0938 158.744 200.829 -41.5328 106.446 -69.9076 29.6585 PRESSAVG: 1718800 62.1319 23.8778 -9.04366 23.8778 1.02024 6.60996 -9.04376 6.61003 -23.5679 GPRESSAVG: 1718800 61.1654 23.9477 -11.7864 22.4999 0.434497 7.56225 -5.90876 7.02684 -21.9203 TIMING: 1718800 CPU: 4990.75, 0.0028919/step Wall: 4990.75, 0.0028919/step, 2.63581 hours remaining, 206.222656 MB of memory in use. ENERGY: 1718800 763.8262 2027.2919 1972.8063 113.9175 -206550.7240 18064.7088 0.0000 0.0000 34123.4633 -149484.7100 298.0087 -183608.1733 -149387.0685 298.1676 105.9873 139.6203 557593.8425 13.1948 13.2265 PRESSURE: 1719000 -36.0164 -120.491 181.527 -120.491 -86.0238 7.22605 181.529 7.22531 -100.558 GPRESSURE: 1719000 -42.1058 -175.68 147.792 -45.6886 -46.8213 4.16235 149.82 54.5347 -51.6379 PRESSAVG: 1719000 -32.6288 -40.9191 14.43 -40.919 28.8238 -3.50571 14.43 -3.50583 9.42499 GPRESSAVG: 1719000 -32.132 -40.8681 15.9278 -38.4113 30.2336 -1.02121 13.9082 -5.79423 7.59521 TIMING: 1719000 CPU: 4991.32, 0.00287696/step Wall: 4991.32, 0.00287696/step, 2.62203 hours remaining, 206.222656 MB of memory in use. ENERGY: 1719000 732.2761 2119.6974 1968.7353 106.6758 -206362.8442 17706.6217 0.0000 0.0000 34157.0149 -149571.8229 298.3017 -183728.8378 -149478.7082 297.7589 -74.1995 -46.8550 558332.7345 1.8733 1.8989 PRESSURE: 1719200 -445.182 72.3236 9.08485 72.3248 84.3641 -0.117386 9.08408 -0.119473 115.586 GPRESSURE: 1719200 -406.926 54.4449 49.8846 -6.60792 121.339 -58.1158 5.34527 -14.3037 137.955 PRESSAVG: 1719200 -23.8429 -31.8856 101.008 -31.8857 18.3675 -1.47486 101.008 -1.47493 22.7442 GPRESSAVG: 1719200 -23.944 -33.3598 99.9628 -34.9163 17.3678 -6.50459 100.867 1.48399 23.6659 TIMING: 1719200 CPU: 4991.9, 0.00287551/step Wall: 4991.9, 0.00287551/step, 2.62055 hours remaining, 206.222656 MB of memory in use. ENERGY: 1719200 759.9214 2118.8159 1992.7366 111.3870 -206476.4997 17849.7705 0.0000 0.0000 34120.4124 -149523.4561 297.9820 -183643.8684 -149425.2167 298.3919 -81.7442 -49.2106 558514.0884 5.7562 5.6966 PRESSURE: 1719400 -46.4642 16.8312 97.1409 16.8309 -175.199 21.8857 97.1411 21.8846 160.326 GPRESSURE: 1719400 -6.35047 11.8363 179.689 -17.6109 -91.6992 -27.0224 73.8419 -19.5579 145.129 PRESSAVG: 1719400 6.81404 -20.7875 26.4614 -20.7875 -8.45977 -3.69678 26.4613 -3.69678 17.8771 GPRESSAVG: 1719400 7.06631 -20.7332 27.206 -17.0705 -8.77284 -1.58031 26.5267 -5.10217 18.9587 TIMING: 1719400 CPU: 4992.48, 0.00290228/step Wall: 4992.48, 0.00290228/step, 2.64479 hours remaining, 206.222656 MB of memory in use. ENERGY: 1719400 775.4433 2107.0610 1992.3296 119.5405 -206469.8337 17803.5906 0.0000 0.0000 34167.7759 -149504.0928 298.3957 -183671.8687 -149411.5206 298.5277 -20.4456 15.6931 557769.0429 5.4105 5.7507 PRESSURE: 1719600 26.0068 9.64056 87.8688 9.63909 121.224 62.9053 87.8707 62.9029 311.223 GPRESSURE: 1719600 8.14159 -7.25973 13.0423 52.3976 216.165 21.6401 57.6849 92.4454 331.318 PRESSAVG: 1719600 19.5237 -22.4956 30.1909 -22.4956 -47.3 31.4373 30.1908 31.4373 4.01585 GPRESSAVG: 1719600 20.3773 -21.5628 30.0418 -23.7558 -46.269 31.7721 29.487 31.0341 1.75829 TIMING: 1719600 CPU: 4993.06, 0.00288969/step Wall: 4993.06, 0.00288969/step, 2.63315 hours remaining, 206.222656 MB of memory in use. ENERGY: 1719600 719.7428 2075.5725 1971.3856 121.5068 -206714.1889 18207.7499 0.0000 0.0000 34306.6582 -149311.5730 299.6086 -183618.2312 -149217.0130 298.2870 152.8181 185.2082 557814.4859 -7.9202 -8.0445 PRESSURE: 1719800 5.64967 26.7323 -25.5979 26.7309 -33.3667 144.485 -25.5996 144.487 -28.1491 GPRESSURE: 1719800 45.5907 64.6975 26.2052 -48.5542 -7.63207 171.812 -50.895 173.909 4.13519 PRESSAVG: 1719800 25.3808 -20.7933 -6.78745 -20.7933 -58.38 2.00961 -6.78741 2.00967 32.1321 GPRESSAVG: 1719800 25.5858 -22.2458 -7.01033 -20.7589 -58.1099 3.7845 -5.23505 1.33862 32.5724 TIMING: 1719800 CPU: 4993.63, 0.00289244/step Wall: 4993.63, 0.00289244/step, 2.63549 hours remaining, 206.222656 MB of memory in use. ENERGY: 1719800 754.2306 2051.1587 1995.2946 122.0480 -206607.1406 18045.6565 0.0000 0.0000 34382.1846 -149256.5677 300.2682 -183638.7523 -149156.3050 299.8740 -18.6220 14.0313 559136.1517 -0.2890 0.0161 PRESSURE: 1720000 30.4301 23.1567 157.852 23.1566 140.789 -15.0609 157.85 -15.0607 -25.3039 GPRESSURE: 1720000 75.5689 58.9507 122.229 28.6981 166.639 61.3377 147.162 52.4478 1.64962 PRESSAVG: 1720000 54.9253 28.3453 59.513 28.3454 25.1196 26.4128 59.5129 26.4128 -82.5718 GPRESSAVG: 1720000 55.2356 29.3127 59.0598 27.9264 25.5814 25.6189 57.9013 26.7765 -82.8432 TIMING: 1720000 CPU: 4994.21, 0.00287789/step Wall: 4994.21, 0.00287789/step, 2.62207 hours remaining, 206.222656 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: 1720000 724.7286 2104.5838 1972.0701 116.8395 -206836.2049 18228.8953 0.0000 0.0000 34454.9911 -149234.0964 300.9040 -183689.0875 -149135.3065 299.1447 48.6384 81.2857 559226.6541 -0.8423 -0.6754 PRESSURE: 1720200 -84.2526 44.9823 -109.804 44.9809 -81.7937 -72.8737 -109.806 -72.8712 -196.337 GPRESSURE: 1720200 -75.4284 -44.585 -63.045 79.0027 -56.9906 -131.5 -112.678 -7.38835 -125.13 PRESSAVG: 1720200 -60.7115 -56.8628 54.0905 -56.8629 46.2451 6.73081 54.0905 6.7308 27.1454 GPRESSAVG: 1720200 -61.06 -57.0229 53.3363 -56.3234 44.9328 6.37589 54.7646 6.85881 28.6366 TIMING: 1720200 CPU: 4994.79, 0.0028848/step Wall: 4994.79, 0.0028848/step, 2.62822 hours remaining, 206.222656 MB of memory in use. ENERGY: 1720200 752.4894 2033.9335 1964.1915 116.4066 -206007.6954 17653.7955 0.0000 0.0000 34270.7160 -149216.1629 299.2947 -183486.8789 -149116.4031 299.7174 -120.7944 -85.8495 559022.7353 4.2263 4.1698 LDB: ============= START OF LOAD BALANCING ============== 4998.25 LDB: ============== END OF LOAD BALANCING =============== 4998.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4998.25 LDB: ============= START OF LOAD BALANCING ============== 4998.54 LDB: Largest compute 4821 load 0.029706 is 25.2% of average load 0.117676 LDB: Average compute 0.001724 is 1.5% of average load 0.117676 LDB: TIME 4998.54 LOAD: AVG 0.117676 MAX 0.175245 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 4998.54 LOAD: AVG 0.117676 MAX 0.175245 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 4998.54 LOAD: AVG 0.117676 MAX 0.175245 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: ============== END OF LOAD BALANCING =============== 4998.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4998.55 PRESSURE: 1720400 191.815 -13.8696 31.0905 -13.8686 6.2883 21.5525 31.0911 21.5504 336.354 GPRESSURE: 1720400 237.415 5.40012 32.1383 17.0489 76.1707 31.0658 -59.7659 37.037 316.725 PRESSAVG: 1720400 -16.1131 34.005 -18.9506 34.0049 29.4568 -36.5996 -18.9506 -36.5997 -13.9546 GPRESSAVG: 1720400 -16.2641 34.1254 -16.845 33.889 30.2496 -37.0461 -19.9218 -35.6951 -14.6771 TIMING: 1720400 CPU: 4995.37, 0.00294074/step Wall: 4995.37, 0.00294074/step, 2.67901 hours remaining, 207.218750 MB of memory in use. ENERGY: 1720400 720.1550 2070.5309 1989.1768 103.3238 -206591.4105 18170.3760 0.0000 0.0000 34215.4331 -149322.4148 298.8119 -183537.8480 -149233.2643 299.3092 178.1525 210.1035 558838.1717 -0.2036 -0.2305 PRESSURE: 1720600 128.145 -72.085 54.3948 -72.0856 -38.9298 49.852 54.3961 49.8516 -103.418 GPRESSURE: 1720600 152.101 -18.4648 84.3261 -159.409 8.53944 46.2988 65.2755 22.4585 -80.1675 PRESSAVG: 1720600 -33.0256 -1.09607 -2.41924 -1.09603 -15.2238 -5.43758 -2.41921 -5.43758 -7.01111 GPRESSAVG: 1720600 -32.3852 -0.37204 -0.997809 -1.30736 -14.3045 -5.63929 -2.68484 -6.4183 -8.00792 TIMING: 1720600 CPU: 4995.95, 0.00287769/step Wall: 4995.95, 0.00287769/step, 2.62141 hours remaining, 207.621094 MB of memory in use. ENERGY: 1720600 736.6558 2093.9843 1986.1993 110.2775 -206353.1828 18080.9814 0.0000 0.0000 33966.7208 -149378.3637 296.6398 -183345.0845 -149283.1155 298.7215 -4.7340 26.8244 559434.1357 -18.4201 -18.2325 PRESSURE: 1720800 -42.35 -1.3037 -93.9945 -1.30293 145.815 -6.90965 -93.9944 -6.90808 82.3529 GPRESSURE: 1720800 39.0023 -10.1267 -48.7297 -47.265 152.81 -114.846 -65.5411 51.6426 90.9409 PRESSAVG: 1720800 -8.60483 2.15444 8.64316 2.15445 9.18897 -55.4942 8.64317 -55.4941 35.656 GPRESSAVG: 1720800 -8.03442 1.26833 8.07706 4.53691 6.75197 -55.304 6.49411 -54.5919 37.7682 TIMING: 1720800 CPU: 4996.53, 0.00288208/step Wall: 4996.53, 0.00288208/step, 2.62525 hours remaining, 207.621094 MB of memory in use. ENERGY: 1720800 786.0951 2114.9714 1964.0724 113.0344 -206680.8733 18131.1975 0.0000 0.0000 33962.1084 -149609.3941 296.5995 -183571.5025 -149520.3210 297.7268 61.9392 94.2512 558373.8202 12.0801 12.1619 PRESSURE: 1721000 188.745 -145.11 -18.4399 -145.11 -211.489 -89.0473 -18.4406 -89.0469 80.3076 GPRESSURE: 1721000 229.587 -143.973 -63.2809 -172.508 -173.563 -20.1272 62.9397 -61.256 111.639 PRESSAVG: 1721000 71.9349 -24.7859 28.5135 -24.7858 0.36391 -16.593 28.5134 -16.5932 -30.6151 GPRESSAVG: 1721000 72.0851 -22.3774 25.3844 -27.0966 1.3554 -17.332 32.0563 -16.8437 -31.8807 TIMING: 1721000 CPU: 4997.1, 0.00287785/step Wall: 4997.1, 0.00287785/step, 2.62124 hours remaining, 207.621094 MB of memory in use. ENERGY: 1721000 750.8770 2158.5408 1953.7026 110.9432 -206270.0839 17793.7824 0.0000 0.0000 34015.0240 -149487.2140 297.0617 -183502.2380 -149393.5956 297.1744 19.1877 55.8875 557617.9437 13.8946 13.8533 PRESSURE: 1721200 204.97 -40.1093 15.4103 -40.11 151.031 34.4748 15.4094 34.4738 -11.3592 GPRESSURE: 1721200 226.438 -37.1854 64.6727 -77.5274 190.884 84.7932 -0.0117094 -43.6153 27.1683 PRESSAVG: 1721200 24.2369 -31.7738 -3.52066 -31.7738 -52.2746 -46.2927 -3.52061 -46.2926 19.6602 GPRESSAVG: 1721200 23.5457 -32.3497 -1.5555 -33.0604 -51.9146 -43.4255 -5.54143 -48.3779 20.2528 TIMING: 1721200 CPU: 4997.68, 0.00288404/step Wall: 4997.68, 0.00288405/step, 2.62672 hours remaining, 207.621094 MB of memory in use. ENERGY: 1721200 750.6932 2137.7070 1933.5387 113.2743 -206519.9856 18054.2182 0.0000 0.0000 34099.7565 -149430.7976 297.8017 -183530.5542 -149332.5127 298.1273 114.8806 148.1635 556397.5654 -2.7925 -2.7054 PRESSURE: 1721400 59.5526 109.902 31.2416 109.904 4.4835 61.8033 31.2415 61.8044 86.0842 GPRESSURE: 1721400 101.698 193.429 62.4755 68.8648 9.98504 80.9823 19.754 57.7522 125.159 PRESSAVG: 1721400 -19.1245 -9.45456 14.4576 -9.45447 14.4637 -6.46161 14.4578 -6.46147 -35.9834 GPRESSAVG: 1721400 -19.3384 -10.2337 15.506 -5.43546 14.4686 -6.05403 13.2414 -6.42206 -35.6005 TIMING: 1721400 CPU: 4998.25, 0.0028775/step Wall: 4998.25, 0.0028775/step, 2.6206 hours remaining, 207.621094 MB of memory in use. ENERGY: 1721400 736.3069 2148.1926 1988.9179 129.0755 -206420.5377 17978.8317 0.0000 0.0000 34024.9947 -149414.2183 297.1487 -183439.2131 -149313.2406 297.8749 50.0401 78.9474 557972.2393 -13.5481 -13.4901 PRESSURE: 1721600 205.514 33.9523 -103.834 33.9513 48.5995 -35.3814 -103.833 -35.3814 318.525 GPRESSURE: 1721600 221.423 107.883 -65.9707 -98.9384 153.965 -40.2984 -72.5106 -33.2096 283.593 PRESSAVG: 1721600 -14.6405 -9.72141 5.54543 -9.72143 69.5151 29.0523 5.54542 29.0522 -31.507 GPRESSAVG: 1721600 -14.9389 -9.47673 4.06142 -12.5935 69.7403 27.2357 8.93894 31.1074 -31.4623 TIMING: 1721600 CPU: 4998.83, 0.00288062/step Wall: 4998.83, 0.00288062/step, 2.62328 hours remaining, 207.621094 MB of memory in use. ENERGY: 1721600 741.0389 2080.1479 1957.0308 114.3004 -206448.6395 18122.0264 0.0000 0.0000 34047.7816 -149386.3135 297.3477 -183434.0951 -149289.8372 298.0463 190.8796 219.6603 556964.8270 7.7892 7.7797 PRESSURE: 1721800 -174.172 -170.639 -198.59 -170.639 29.8282 11.2944 -198.591 11.2941 -0.464219 GPRESSURE: 1721800 -116.323 -209.312 -192.121 -112.261 58.8606 46.4241 -291.514 -16.7262 0.685819 PRESSAVG: 1721800 -15.1609 -14.9916 -8.4702 -14.9915 87.3033 -3.76997 -8.47028 -3.76998 -31.8233 GPRESSAVG: 1721800 -13.9724 -16.1518 -7.9981 -13.8793 86.2989 -1.75745 -9.17239 -4.75178 -32.1315 TIMING: 1721800 CPU: 4999.41, 0.00287598/step Wall: 4999.41, 0.00287598/step, 2.6189 hours remaining, 207.863281 MB of memory in use. ENERGY: 1721800 791.9514 2104.0609 1956.8987 110.3815 -206300.6291 17847.5177 0.0000 0.0000 34084.6180 -149405.2008 297.6694 -183489.8187 -149309.0022 298.5787 -48.2695 -18.9255 557871.9257 13.4397 13.3983 PRESSURE: 1722000 25.8941 100.094 -234.855 100.093 -65.0728 -63.2384 -234.856 -63.2386 83.0448 GPRESSURE: 1722000 37.1474 162.157 -143.812 52.9335 10.2617 -120.455 -191.082 -78.6734 89.0072 PRESSAVG: 1722000 -38.6238 -40.1669 -18.4683 -40.1668 29.45 -67.5661 -18.4683 -67.5662 37.4241 GPRESSAVG: 1722000 -39.519 -37.5447 -17.6146 -42.9536 30.465 -69.4592 -18.9192 -67.9347 37.1971 TIMING: 1722000 CPU: 4999.99, 0.00289852/step Wall: 4999.99, 0.00289852/step, 2.63926 hours remaining, 207.863281 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: 1722000 787.4844 2062.6914 1979.3906 96.8111 -206729.5748 18134.2496 0.0000 0.0000 34354.4917 -149314.4560 300.0263 -183668.9477 -149216.9282 298.5278 14.6220 45.4721 558647.5462 9.4168 9.3810 PRESSURE: 1722200 -5.3799 -121.628 29.0146 -121.627 80.7347 -45.2157 29.0132 -45.2149 105.95 GPRESSURE: 1722200 40.3916 -87.3075 133.85 -54.8383 75.9081 -23.8335 -59.8115 1.87576 148.444 PRESSAVG: 1722200 -24.5717 -11.7648 -19.9941 -11.7648 85.8081 -36.0031 -19.9941 -36.0032 -46.4831 GPRESSAVG: 1722200 -24.3879 -11.2832 -20.9764 -11.5575 86.2063 -34.752 -20.4519 -36.2049 -46.8649 TIMING: 1722200 CPU: 5000.56, 0.00289037/step Wall: 5000.56, 0.00289037/step, 2.63169 hours remaining, 207.863281 MB of memory in use. ENERGY: 1722200 747.7154 2033.3832 1988.6396 116.7534 -206595.0746 18116.3612 0.0000 0.0000 34308.4287 -149283.7932 299.6240 -183592.2219 -149186.8106 298.9144 60.4351 88.2477 558611.4773 4.9178 4.9845 PRESSURE: 1722400 -220.949 -5.95011 -8.43193 -5.94903 -53.4158 -21.6781 -8.4328 -21.6771 360.222 GPRESSURE: 1722400 -174.652 20.5033 -74.8304 -98.7549 -55.3205 36.7592 -6.63974 -105.077 411.697 PRESSAVG: 1722400 -76.9295 -29.5695 -64.7068 -29.5695 73.2993 30.9705 -64.7067 30.9705 22.925 GPRESSAVG: 1722400 -76.1396 -30.9967 -65.0018 -27.5352 71.9834 30.4527 -64.3974 31.3853 23.4673 TIMING: 1722400 CPU: 5001.15, 0.00291227/step Wall: 5001.15, 0.00291227/step, 2.65146 hours remaining, 207.863281 MB of memory in use. ENERGY: 1722400 730.8462 2077.9939 1976.6631 110.9239 -206487.3176 18031.3632 0.0000 0.0000 34276.9985 -149282.5289 299.3496 -183559.5274 -149181.8409 298.5082 28.6192 60.5748 558187.5756 6.4316 6.4370 PRESSURE: 1722600 -265.769 132.636 77.3951 132.635 -189.715 15.7314 77.3941 15.7299 -101.441 GPRESSURE: 1722600 -199.766 160.125 77.2244 186.988 -156.199 17.3749 80.6618 25.1918 -100.437 PRESSAVG: 1722600 -60.9055 22.7169 8.39065 22.717 -5.9442 -73.5013 8.3907 -73.5014 48.202 GPRESSAVG: 1722600 -60.1795 22.122 7.13152 21.6672 -4.5901 -73.8104 10.1636 -75.2635 46.0877 TIMING: 1722600 CPU: 5001.73, 0.00291013/step Wall: 5001.73, 0.00291013/step, 2.64935 hours remaining, 207.863281 MB of memory in use. ENERGY: 1722600 715.5182 2054.4466 1981.3398 118.8134 -205613.5430 17373.2451 0.0000 0.0000 34169.4026 -149200.7774 298.4099 -183370.1800 -149096.5902 298.7388 -185.6420 -152.1343 558580.6021 -6.2159 -6.2273 PRESSURE: 1722800 -233.179 -1.81662 -77.8804 -1.81671 -106.705 -6.00045 -77.881 -6.00035 -117.354 GPRESSURE: 1722800 -197.783 29.2897 -154.43 -32.8896 -89.8617 -61.5834 3.22025 20.5134 -66.4255 PRESSAVG: 1722800 -47.8862 -18.3058 0.103632 -18.3059 23.5529 -44.4155 0.103676 -44.4155 -11.8072 GPRESSAVG: 1722800 -48.8482 -16.8122 2.43488 -19.1903 23.1035 -44.7229 -1.72319 -41.8641 -10.5892 TIMING: 1722800 CPU: 5002.3, 0.00287516/step Wall: 5002.3, 0.00287516/step, 2.61735 hours remaining, 207.863281 MB of memory in use. ENERGY: 1722800 749.9303 2158.0439 1948.3823 105.6649 -205909.1282 17621.7591 0.0000 0.0000 34147.9284 -149177.4193 298.2224 -183325.3477 -149078.5711 298.3981 -152.4126 -118.0235 559151.8658 -12.0468 -12.1113 PRESSURE: 1723000 -18.8835 -97.9257 -1.70467 -97.9249 237.048 88.5289 -1.70464 88.5298 -405.548 GPRESSURE: 1723000 14.8489 -104.739 -18.978 -187.758 266.772 105.334 22.6187 90.5537 -370.305 PRESSAVG: 1723000 36.9354 -7.17143 58.2047 -7.17146 25.117 -2.50862 58.2047 -2.50864 -14.0227 GPRESSAVG: 1723000 37.7137 -8.50401 56.8268 -6.11922 24.2279 -0.0999653 58.2618 -4.08944 -13.5302 TIMING: 1723000 CPU: 5002.88, 0.00288221/step Wall: 5002.88, 0.00288221/step, 2.62361 hours remaining, 207.863281 MB of memory in use. ENERGY: 1723000 776.9867 2117.9566 1979.8461 121.2779 -206269.0541 17786.1963 0.0000 0.0000 34316.8751 -149169.9155 299.6978 -183486.7906 -149076.6937 298.9845 -62.4609 -29.5616 559188.6187 16.0099 16.1372 PRESSURE: 1723200 -68.8726 -9.57035 -100.585 -9.57101 180.372 35.3594 -100.585 35.3605 132.146 GPRESSURE: 1723200 -42.8991 78.2935 -45.1034 -67.7208 195.107 119.584 -76.8534 -66.1277 186.794 PRESSAVG: 1723200 29.7694 18.8275 15.4017 18.8275 31.9137 23.6182 15.4018 23.6182 -42.7746 GPRESSAVG: 1723200 29.8351 19.8912 15.5146 17.7925 33.0087 20.6512 15.0548 25.9776 -43.8756 TIMING: 1723200 CPU: 5003.46, 0.00289152/step Wall: 5003.46, 0.00289152/step, 2.63193 hours remaining, 207.863281 MB of memory in use. ENERGY: 1723200 729.4705 2120.0269 1980.8690 109.2571 -206276.0060 17971.8814 0.0000 0.0000 34196.1417 -149168.3595 298.6434 -183364.5012 -149069.7761 298.9962 81.2151 113.0007 557870.0718 6.3028 6.3227 PRESSURE: 1723400 23.4731 12.0334 -95.0404 12.0338 136.179 -10.3099 -95.0405 -10.309 203.752 GPRESSURE: 1723400 57.3488 -24.595 -73.6141 72.6269 196.856 -15.9795 -48.0231 13.5135 192.291 PRESSAVG: 1723400 -30.749 -21.4675 37.5448 -21.4675 39.8816 -24.195 37.5449 -24.1951 -11.662 GPRESSAVG: 1723400 -30.3683 -22.867 38.1295 -19.5903 39.857 -22.8177 39.6965 -24.3881 -11.8823 TIMING: 1723400 CPU: 5004.04, 0.00290656/step Wall: 5004.04, 0.00290656/step, 2.64545 hours remaining, 207.863281 MB of memory in use. ENERGY: 1723400 784.2308 2103.0838 1947.4894 105.0648 -206625.2600 18074.3150 0.0000 0.0000 34553.3098 -149057.7665 301.7626 -183611.0763 -148968.2632 299.8096 121.1347 148.8321 558742.2912 -0.8431 -0.7979 PRESSURE: 1723600 72.8 -47.6317 19.8031 -47.6313 59.6115 -113.361 19.8023 -113.36 225.206 GPRESSURE: 1723600 77.9629 -15.0255 -19.7441 -127.025 99.3693 -39.6565 44.0374 -111.673 259.723 PRESSAVG: 1723600 0.888808 -33.938 -18.6447 -33.9379 -6.15872 -18.1557 -18.6446 -18.1557 -10.9139 GPRESSAVG: 1723600 -0.353594 -34.0144 -20.3686 -35.5185 -6.64701 -17.8595 -20.3454 -19.5831 -8.96809 TIMING: 1723600 CPU: 5004.62, 0.00289068/step Wall: 5004.62, 0.00289068/step, 2.63084 hours remaining, 207.863281 MB of memory in use. ENERGY: 1723600 720.9384 2063.4832 1958.0744 122.5291 -206360.3623 18032.3494 0.0000 0.0000 34381.8228 -149081.1649 300.2650 -183462.9877 -148989.5354 299.0085 119.2058 145.6851 557714.3659 -5.3946 -5.3229 PRESSURE: 1723800 -51.8767 -8.33056 229.667 -8.3316 -151.161 -122.689 229.668 -122.69 -43.4591 GPRESSURE: 1723800 18.882 14.7217 357.297 34.8261 -138.472 -151.134 83.0242 -148.593 -30.3941 PRESSAVG: 1723800 7.86967 18.8894 -9.91196 18.8894 30.5635 -1.07801 -9.91189 -1.078 -18.0914 GPRESSAVG: 1723800 8.62305 18.0825 -7.64805 19.07 30.0749 -1.02348 -10.7551 -0.338106 -18.4669 TIMING: 1723800 CPU: 5005.2, 0.00289207/step Wall: 5005.2, 0.00289207/step, 2.63195 hours remaining, 207.863281 MB of memory in use. ENERGY: 1723800 751.4592 2101.2066 1991.8729 109.8923 -205973.8443 17603.8501 0.0000 0.0000 34182.5941 -149232.9690 298.5251 -183415.5631 -149138.5642 298.6761 -82.1655 -49.9948 557234.0683 6.7806 6.7437 PRESSURE: 1724000 -54.5266 -114.79 14.8186 -114.789 -282.131 4.25664 14.8173 4.25714 26.2074 GPRESSURE: 1724000 -34.1545 -119.327 16.1359 -173.109 -237.009 -7.72751 -26.1416 12.7972 48.3108 PRESSAVG: 1724000 -30.362 61.9736 -80.1323 61.9736 -6.23572 -15.2975 -80.1323 -15.2973 28.5729 GPRESSAVG: 1724000 -30.4297 63.3075 -80.3112 62.2104 -4.93347 -16.3982 -78.4053 -15.4955 27.1391 TIMING: 1724000 CPU: 5005.77, 0.00288932/step Wall: 5005.77, 0.00288932/step, 2.62928 hours remaining, 207.863281 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: 1724000 772.9203 2054.8594 1981.0169 118.2795 -205820.3370 17461.8237 0.0000 0.0000 34226.4430 -149204.9943 298.9080 -183431.4373 -149109.0154 299.3378 -103.4835 -74.2842 556503.2265 -2.6750 -2.7414 PRESSURE: 1724200 169.315 67.3122 64.6831 67.3121 79.5191 30.1178 64.6826 30.1183 -57.1369 GPRESSURE: 1724200 241.759 35.6062 137.509 139.612 123.924 -33.2918 40.5317 111.86 -70.3949 PRESSAVG: 1724200 2.80458 -25.317 -2.05328 -25.317 -11.7775 -34.3168 -2.05321 -34.3169 0.131872 GPRESSAVG: 1724200 1.93508 -26.7182 -1.64076 -23.9965 -11.5405 -35.2974 -3.80771 -31.824 0.373436 TIMING: 1724200 CPU: 5006.35, 0.00288806/step Wall: 5006.35, 0.00288806/step, 2.62798 hours remaining, 207.863281 MB of memory in use. ENERGY: 1724200 781.5442 2100.4034 1970.5777 112.7634 -206594.6309 18050.2917 0.0000 0.0000 34134.5586 -149444.4919 298.1056 -183579.0505 -149349.5013 298.4700 63.8990 98.4296 555883.8165 -2.9470 -3.0773 LDB: ============= START OF LOAD BALANCING ============== 5009.82 LDB: ============== END OF LOAD BALANCING =============== 5009.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5009.82 LDB: ============= START OF LOAD BALANCING ============== 5010.1 LDB: Largest compute 4821 load 0.030521 is 25.9% of average load 0.117661 LDB: Average compute 0.001728 is 1.5% of average load 0.117661 LDB: TIME 5010.11 LOAD: AVG 0.117661 MAX 0.174947 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 5010.11 LOAD: AVG 0.117661 MAX 0.174947 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.129 MB LDB: TIME 5010.11 LOAD: AVG 0.117661 MAX 0.174947 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5010.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5010.11 PRESSURE: 1724400 245.825 -6.21365 59.3905 -6.21374 -3.38769 -20.6523 59.3908 -20.6513 -243.828 GPRESSURE: 1724400 295.083 -23.8791 94.2468 -5.54234 30.2126 -6.40649 21.3066 35.749 -237.411 PRESSAVG: 1724400 10.6302 -11.7146 40.6718 -11.7145 5.72864 -13.3154 40.6718 -13.3156 -16.8169 GPRESSAVG: 1724400 10.0763 -11.0612 39.4889 -11.0714 5.65664 -9.92194 41.9368 -16.0251 -16.4015 TIMING: 1724400 CPU: 5006.94, 0.00293119/step Wall: 5006.94, 0.00293119/step, 2.66705 hours remaining, 205.632812 MB of memory in use. ENERGY: 1724400 730.4257 2083.2649 1967.1427 116.1874 -206368.2665 17774.7820 0.0000 0.0000 34320.3028 -149376.1610 299.7277 -183696.4637 -149282.9902 298.3678 -0.4637 29.2946 556320.3058 -0.1527 -0.2228 PRESSURE: 1724600 209.971 -51.4539 -12.4543 -51.4549 -89.1259 97.5215 -12.4546 97.5201 -7.21603 GPRESSURE: 1724600 205.192 3.11137 -0.0635986 -69.5021 -46.9979 77.1289 -117.708 84.6684 58.1378 PRESSAVG: 1724600 40.668 38.2978 12.7879 38.2979 -13.3267 35.1974 12.7878 35.1974 16.0369 GPRESSAVG: 1724600 41.6838 38.2317 14.1018 37.6923 -13.2887 34.5849 12.908 35.5179 15.0818 TIMING: 1724600 CPU: 5007.51, 0.00287805/step Wall: 5007.51, 0.00287805/step, 2.61855 hours remaining, 205.984375 MB of memory in use. ENERGY: 1724600 732.0761 2134.3198 1937.1546 115.2256 -206434.8366 17920.9108 0.0000 0.0000 34280.3128 -149314.8369 299.3785 -183595.1497 -149212.9734 298.9534 37.8764 72.1106 557332.5059 14.4594 14.4923 PRESSURE: 1724800 -275.906 -134.187 106.54 -134.187 -314.475 -8.94727 106.541 -8.94612 -50.4713 GPRESSURE: 1724800 -213.682 -129.687 198.026 -83.0539 -286.391 86.1926 31.0157 -157.09 -44.4289 PRESSAVG: 1724800 25.759 32.9805 1.47265 32.9806 -39.9967 94.3127 1.47263 94.3128 72.4746 GPRESSAVG: 1724800 24.8177 34.5181 2.10393 31.1626 -40.5033 94.8907 -0.500042 94.1571 73.8266 TIMING: 1724800 CPU: 5008.09, 0.00288118/step Wall: 5008.09, 0.00288118/step, 2.62124 hours remaining, 205.984375 MB of memory in use. ENERGY: 1724800 776.8158 2045.5961 1959.3379 113.5934 -206293.1302 17652.9106 0.0000 0.0000 34242.8244 -149502.0519 299.0511 -183744.8764 -149408.6205 298.9289 -213.6176 -181.5007 556607.2711 19.4123 19.3803 PRESSURE: 1725000 71.2604 -21.9618 -116.049 -21.9625 134.431 -33.8716 -116.05 -33.8715 85.0271 GPRESSURE: 1725000 156.058 -102.96 -112.356 -0.0091589 109.921 -77.9004 -83.6506 -24.1879 101.294 PRESSAVG: 1725000 -7.80131 52.8549 15.2964 52.8548 40.6744 -17.0123 15.2965 -17.0123 -9.68701 GPRESSAVG: 1725000 -6.53642 51.0475 15.1542 53.6178 40.4896 -18.8467 18.6566 -14.9843 -10.9221 TIMING: 1725000 CPU: 5008.67, 0.00288404/step Wall: 5008.67, 0.00288404/step, 2.62368 hours remaining, 205.984375 MB of memory in use. ENERGY: 1725000 725.0450 2099.6108 1922.0689 108.1496 -206505.6292 18090.4578 0.0000 0.0000 34111.9444 -149448.3529 297.9081 -183560.2972 -149349.2894 298.5487 96.9061 122.4243 557065.7852 7.7287 7.6770 PRESSURE: 1725200 -68.5433 198.41 108.407 198.408 -141.066 -80.11 108.407 -80.1084 -63.7644 GPRESSURE: 1725200 -84.1368 291.686 48.1859 182.316 -91.2753 -54.9475 55.0941 -110.602 -8.10188 PRESSAVG: 1725200 12.0006 13.8327 -20.3737 13.8327 57.0316 -6.52824 -20.3738 -6.52831 -88.075 GPRESSAVG: 1725200 12.2041 15.063 -20.2212 14.6683 57.3468 -3.93979 -23.5529 -8.97382 -88.7776 TIMING: 1725200 CPU: 5009.24, 0.00289158/step Wall: 5009.24, 0.00289158/step, 2.63038 hours remaining, 205.984375 MB of memory in use. ENERGY: 1725200 740.0856 2033.2634 1964.5096 115.3456 -206323.9705 17733.9342 0.0000 0.0000 34208.0721 -149528.7599 298.7476 -183736.8320 -149424.8046 298.1668 -91.1244 -61.1713 556753.3944 -6.3476 -6.4089 PRESSURE: 1725400 -77.8515 79.5941 -3.99837 79.5934 64.0257 83.4301 -3.9981 83.4267 -139.608 GPRESSURE: 1725400 18.6771 18.3254 63.6848 100.208 57.1762 3.25306 -42.4798 171.797 -126.823 PRESSAVG: 1725400 -41.0302 41.3788 -13.0337 41.3788 28.1864 -23.789 -13.0338 -23.789 44.7506 GPRESSAVG: 1725400 -42.6053 41.0971 -12.5367 40.6849 28.5223 -24.5239 -12.2247 -21.0855 45.6948 TIMING: 1725400 CPU: 5009.82, 0.00288431/step Wall: 5009.82, 0.00288431/step, 2.6236 hours remaining, 205.984375 MB of memory in use. ENERGY: 1725400 760.6688 2063.9901 1955.5124 131.9075 -206582.5302 17969.1630 0.0000 0.0000 34185.9061 -149515.3823 298.5540 -183701.2884 -149429.6926 298.1262 -51.1445 -16.9898 557163.7126 10.6356 10.5373 PRESSURE: 1725600 -62.5385 -123.189 72.0581 -123.19 -155.638 139.422 72.059 139.423 95.2944 GPRESSURE: 1725600 -51.9508 -161.03 47.151 -96.5856 -127.98 164.452 125.816 81.3197 147.969 PRESSAVG: 1725600 -2.68609 20.5815 -14.455 20.5815 -26.9276 21.1924 -14.455 21.1924 54.5939 GPRESSAVG: 1725600 -1.32492 20.994 -14.9651 20.4257 -27.0463 19.7022 -12.7667 19.7604 53.1605 TIMING: 1725600 CPU: 5010.4, 0.00288953/step Wall: 5010.4, 0.00288953/step, 2.62819 hours remaining, 206.050781 MB of memory in use. ENERGY: 1725600 753.8721 2107.5740 1994.8346 111.1075 -206576.6245 17851.2301 0.0000 0.0000 34108.7613 -149649.2448 297.8803 -183758.0061 -149548.6915 298.2269 -40.9608 -10.6540 555371.6049 8.3268 8.2631 PRESSURE: 1725800 -25.7835 -207.337 121.224 -207.336 -123.5 -100.723 121.225 -100.723 170.922 GPRESSURE: 1725800 -10.0197 -121.61 177.553 -205.877 -37.4505 -84.0535 114.87 -152.893 171.502 PRESSAVG: 1725800 -0.674942 -48.5096 20.8091 -48.5097 -34.8506 24.799 20.8091 24.7989 14.4555 GPRESSAVG: 1725800 -0.955792 -47.7589 21.5098 -49.1184 -35.5279 23.9192 18.5477 24.456 15.8291 TIMING: 1725800 CPU: 5010.97, 0.00285459/step Wall: 5010.97, 0.00285459/step, 2.59625 hours remaining, 206.050781 MB of memory in use. ENERGY: 1725800 714.5942 2094.5776 1953.4826 114.8548 -206565.0427 17897.8604 0.0000 0.0000 34172.7269 -149616.9463 298.4389 -183789.6732 -149520.2776 297.9327 7.2128 41.3440 555733.7550 -7.0233 -6.8849 PRESSURE: 1726000 -428.627 -51.8353 54.5952 -51.836 208.66 107.981 54.5959 107.98 -33.7272 GPRESSURE: 1726000 -353.721 -79.4184 125.527 6.67732 190.154 180.836 -40.9469 120.478 16.3237 PRESSAVG: 1726000 -4.37901 -62.1778 22.3474 -62.1778 -32.7489 26.6245 22.3473 26.6244 48.0569 GPRESSAVG: 1726000 -3.93682 -64.4504 21.3355 -60.2547 -33.441 26.961 24.4129 27.7198 47.394 TIMING: 1726000 CPU: 5011.55, 0.00289383/step Wall: 5011.55, 0.00289383/step, 2.63178 hours remaining, 206.050781 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: 1726000 767.5036 2126.0945 1956.2389 102.9109 -206967.2697 18050.3221 0.0000 0.0000 34316.3231 -149647.8766 299.6930 -183964.1997 -149553.7823 297.7278 -84.5646 -49.0808 556787.6207 3.6430 3.3387 PRESSURE: 1726200 -138.478 91.4045 -95.6905 91.404 221.642 149.585 -95.691 149.586 -9.72418 GPRESSURE: 1726200 -147.575 54.957 -96.0837 120.141 312.067 174.916 -105.95 70.5462 -0.928008 PRESSAVG: 1726200 -10.8086 2.21337 28.484 2.21332 32.3306 92.4504 28.4839 92.4505 -15.7432 GPRESSAVG: 1726200 -11.7682 2.28758 25.9225 4.00119 33.6561 94.5709 29.5608 91.7828 -16.3357 TIMING: 1726200 CPU: 5012.13, 0.00288854/step Wall: 5012.13, 0.00288854/step, 2.62681 hours remaining, 206.050781 MB of memory in use. ENERGY: 1726200 769.0989 2090.8960 1944.5852 100.3606 -206718.6775 17932.1600 0.0000 0.0000 34120.1900 -149761.3869 297.9801 -183881.5769 -149666.2509 298.0105 24.4800 54.5212 557671.5506 1.9263 1.8507 PRESSURE: 1726400 56.8591 -59.7981 -246.094 -59.7976 -5.41968 106.052 -246.094 106.052 -138.856 GPRESSURE: 1726400 78.3451 -19.5663 -266.566 -30.8286 2.05183 52.5392 -328.629 140.933 -74.6527 PRESSAVG: 1726400 6.0999 -15.0827 2.73644 -15.0826 44.6945 48.8459 2.73646 48.8457 -9.97487 GPRESSAVG: 1726400 5.92193 -14.7767 2.56054 -18.3244 43.1631 45.5401 1.96661 49.1513 -8.43898 TIMING: 1726400 CPU: 5012.71, 0.00290304/step Wall: 5012.71, 0.00290304/step, 2.63983 hours remaining, 206.050781 MB of memory in use. ENERGY: 1726400 728.9559 2082.7645 1941.4914 125.0233 -206086.9778 17623.7922 0.0000 0.0000 33950.6676 -149634.2828 296.4996 -183584.9504 -149539.0595 298.1242 -29.1390 1.9147 558547.0931 13.6065 13.5487 PRESSURE: 1726600 -76.0019 106.269 76.5574 106.269 -125.384 -3.80334 76.5569 -3.80317 49.8398 GPRESSURE: 1726600 -26.6941 93.0114 210.349 52.6528 -125.753 -3.54268 7.30517 -13.8651 98.4263 PRESSAVG: 1726600 -54.8791 13.669 -33.2861 13.669 -2.80474 -5.83861 -33.2861 -5.83847 58.6818 GPRESSAVG: 1726600 -54.2809 12.8628 -31.1452 14.2288 -2.99545 -3.48376 -34.1762 -7.32357 57.0866 TIMING: 1726600 CPU: 5013.29, 0.00289529/step Wall: 5013.29, 0.00289529/step, 2.63262 hours remaining, 206.050781 MB of memory in use. ENERGY: 1726600 722.5271 2055.9250 1959.6263 109.8475 -206572.4904 17882.3078 0.0000 0.0000 34234.2778 -149607.9788 298.9765 -183842.2566 -149510.0969 297.5765 -50.5155 -18.0069 559456.7624 0.3327 -0.0632 PRESSURE: 1726800 180.892 -16.2428 -30.0344 -16.2425 66.7663 -15.6966 -30.0337 -15.6978 238.945 GPRESSURE: 1726800 215.967 -24.4192 -68.7483 -42.6794 82.603 -84.7395 -18.9453 0.280764 295.356 PRESSAVG: 1726800 -46.654 39.8405 10.2759 39.8406 -17.4102 4.12325 10.2758 4.12317 62.4733 GPRESSAVG: 1726800 -47.6551 40.7249 9.09746 39.1283 -15.5458 3.56702 10.2449 4.45532 61.8432 TIMING: 1726800 CPU: 5013.86, 0.00289364/step Wall: 5013.86, 0.00289364/step, 2.63096 hours remaining, 206.050781 MB of memory in use. ENERGY: 1726800 753.4625 2140.7463 1976.5920 116.5415 -206928.0974 18234.7899 0.0000 0.0000 34147.9538 -149558.0113 298.2226 -183705.9651 -149460.3373 297.7889 162.2010 197.9753 558647.1428 -0.5303 -0.4526 PRESSURE: 1727000 -124.846 -35.2011 89.6349 -35.202 196.111 -13.1825 89.6341 -13.1822 -72.4215 GPRESSURE: 1727000 -45.0217 6.78193 149.209 27.2551 208.299 49.8246 35.2367 2.19801 -71.0951 PRESSAVG: 1727000 -4.53253 15.6435 44.4134 15.6436 16.0095 32.044 44.4133 32.044 -9.47677 GPRESSAVG: 1727000 -3.93865 14.6181 45.3922 17.1532 14.6699 33.2952 44.3755 31.0958 -9.10848 TIMING: 1727000 CPU: 5014.44, 0.00289716/step Wall: 5014.44, 0.00289716/step, 2.634 hours remaining, 206.050781 MB of memory in use. ENERGY: 1727000 763.5545 2089.8668 1992.8727 117.0950 -206484.3361 17929.3052 0.0000 0.0000 34356.2455 -149235.3964 300.0416 -183591.6419 -149138.6223 298.4455 -0.3854 30.7274 558081.8751 0.6667 0.5409 PRESSURE: 1727200 48.4893 99.6415 13.7972 99.6421 248.06 -63.0479 13.7957 -63.0478 -359.991 GPRESSURE: 1727200 81.7526 138.081 4.37142 41.1719 259.678 -89.0239 81.448 -44.0534 -316.61 PRESSAVG: 1727200 17.0639 36.3711 25.6909 36.3712 5.88349 6.26031 25.6908 6.26036 -21.6352 GPRESSAVG: 1727200 17.2822 36.3982 24.0055 36.0517 4.25523 7.69204 26.6906 5.00012 -20.0105 TIMING: 1727200 CPU: 5015.03, 0.00290913/step Wall: 5015.03, 0.00290913/step, 2.64473 hours remaining, 206.050781 MB of memory in use. ENERGY: 1727200 746.3465 2056.2185 1961.6440 119.2989 -206279.7740 17885.6216 0.0000 0.0000 34287.5887 -149223.0558 299.4420 -183510.6446 -149126.2204 299.3043 -21.1470 8.2738 558719.5706 0.4374 0.5090 PRESSURE: 1727400 -92.2641 21.614 -18.5944 21.614 -168.621 -80.0811 -18.595 -80.0794 102.406 GPRESSURE: 1727400 -104.302 -35.6362 12.4887 -10.6553 -119.655 -139.661 17.3501 -37.463 163.501 PRESSAVG: 1727400 -39.4767 0.406568 -18.6007 0.406574 78.3695 -8.63406 -18.6007 -8.63403 -24.5939 GPRESSAVG: 1727400 -40.8389 0.6399 -16.9273 0.428525 79.645 -10.7827 -18.2957 -5.71302 -24.8537 TIMING: 1727400 CPU: 5015.6, 0.00289213/step Wall: 5015.6, 0.00289213/step, 2.62911 hours remaining, 206.050781 MB of memory in use. ENERGY: 1727400 735.6944 2125.7703 1977.0935 106.5539 -206180.2022 17682.0509 0.0000 0.0000 34314.1384 -149238.9008 299.6739 -183553.0392 -149138.4388 298.6643 -52.8262 -20.1519 557857.0468 4.7663 4.6508 PRESSURE: 1727600 23.1969 177.877 -30.1282 177.877 -130.286 107.656 -30.1288 107.656 123.146 GPRESSURE: 1727600 92.7064 222.61 26.2774 91.7207 -164.52 48.7469 -68.2068 70.6521 176.04 PRESSAVG: 1727600 -28.0182 -7.55275 -47.045 -7.55273 -13.0501 26.5038 -47.045 26.5039 19.4853 GPRESSAVG: 1727600 -27.6006 -6.94825 -49.0001 -8.39094 -12.8892 24.9811 -47.2293 25.1901 19.6096 TIMING: 1727600 CPU: 5016.19, 0.00290461/step Wall: 5016.19, 0.00290461/step, 2.64029 hours remaining, 206.050781 MB of memory in use. ENERGY: 1727600 714.8436 2063.2910 1971.8496 113.3913 -206198.3247 17679.0503 0.0000 0.0000 34336.9103 -149318.9886 299.8728 -183655.8989 -149224.7692 298.7643 5.3524 34.7422 556351.0560 -7.1943 -6.9601 PRESSURE: 1727800 -291.07 50.3785 -34.114 50.3781 -72.8744 -79.6659 -34.1132 -79.6665 97.1165 GPRESSURE: 1727800 -214.324 71.1589 -8.01359 -51.6778 -46.309 -131.162 -76.3146 -51.2948 89.7084 PRESSAVG: 1727800 7.1511 9.90125 -1.88467 9.90126 -4.38789 -24.4578 -1.88461 -24.4579 -41.025 GPRESSAVG: 1727800 7.37455 10.041 -2.44301 9.05353 -5.20058 -22.7358 -1.6398 -22.9941 -40.7335 TIMING: 1727800 CPU: 5016.76, 0.00289747/step Wall: 5016.76, 0.00289747/step, 2.63364 hours remaining, 206.050781 MB of memory in use. ENERGY: 1727800 735.9344 2134.6372 1954.4107 122.1567 -205861.7209 17642.4919 0.0000 0.0000 34080.9956 -149191.0944 297.6378 -183272.0900 -149096.0212 298.6640 -88.9426 -56.9747 557831.5122 -12.7539 -12.8532 PRESSURE: 1728000 360.895 53.1614 -132.795 53.1619 -25.5898 -49.2098 -132.795 -49.2105 82.3399 GPRESSURE: 1728000 347.268 167.662 -158.531 -55.3674 65.2061 -116.56 -106.871 -19.8342 98.236 PRESSAVG: 1728000 24.7906 7.29496 17.4156 7.29495 -27.9608 -50.0775 17.4156 -50.0774 4.14205 GPRESSAVG: 1728000 24.4803 6.20194 19.2037 7.61803 -26.3739 -49.9493 16.543 -52.6064 2.47956 TIMING: 1728000 CPU: 5017.35, 0.00290761/step Wall: 5017.35, 0.00290761/step, 2.64269 hours remaining, 206.050781 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: 1728000 734.8591 2088.3455 1975.8589 100.8708 -206609.1289 17979.0552 0.0000 0.0000 34503.3916 -149226.7480 301.3267 -183730.1396 -149130.4571 299.1233 139.2151 170.2368 556078.9177 0.3240 0.1953 PRESSURE: 1728200 198.079 140.589 54.9216 140.588 -48.4961 75.3211 54.9222 75.3215 -104.093 GPRESSURE: 1728200 195.714 191.185 15.6239 97.9116 -86.1499 2.89458 76.7663 21.9645 27.2878 PRESSAVG: 1728200 -1.46889 5.9165 12.398 5.91647 -7.65442 -49.8083 12.398 -49.8082 -11.58 GPRESSAVG: 1728200 -0.682745 6.35604 10.9978 6.18629 -8.68243 -51.885 14.8175 -47.2215 -10.747 TIMING: 1728200 CPU: 5017.93, 0.00292249/step Wall: 5017.93, 0.00292249/step, 2.65605 hours remaining, 206.050781 MB of memory in use. ENERGY: 1728200 739.1031 2172.3767 1971.7128 121.6128 -206286.8387 17838.3845 0.0000 0.0000 34218.7239 -149224.9250 298.8406 -183443.6489 -149134.0656 299.6356 15.1634 45.6172 558089.2525 -6.9011 -6.7041 LDB: ============= START OF LOAD BALANCING ============== 5021.4 LDB: ============== END OF LOAD BALANCING =============== 5021.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5021.4 LDB: ============= START OF LOAD BALANCING ============== 5021.69 LDB: Largest compute 4821 load 0.029625 is 25.2% of average load 0.117696 LDB: Average compute 0.001720 is 1.5% of average load 0.117696 LDB: TIME 5021.69 LOAD: AVG 0.117696 MAX 0.17888 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 5021.69 LOAD: AVG 0.117696 MAX 0.17888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 5021.69 LOAD: AVG 0.117696 MAX 0.17888 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5021.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5021.7 PRESSURE: 1728400 -11.603 7.16774 -140.01 7.16883 -60.1695 74.5512 -140.01 74.5502 -43.7729 GPRESSURE: 1728400 8.26878 32.3688 -70.0584 -67.3186 -42.8157 162.69 -150.371 64.9101 13.8721 PRESSAVG: 1728400 -35.5375 15.4003 -2.65228 15.4003 44.874 -11.9555 -2.65225 -11.9554 7.63791 GPRESSAVG: 1728400 -35.8897 14.7224 -2.53877 16.1892 46.032 -10.5233 -4.62842 -11.7171 6.73035 TIMING: 1728400 CPU: 5018.52, 0.00295952/step Wall: 5018.52, 0.00295952/step, 2.68955 hours remaining, 207.734375 MB of memory in use. ENERGY: 1728400 782.9971 2106.1142 1991.6528 117.3707 -206622.9530 18103.8800 0.0000 0.0000 34296.3420 -149224.5963 299.5185 -183520.9383 -149127.6599 299.8582 -38.5151 -6.8916 557341.4230 5.6581 5.6242 PRESSURE: 1728600 -155.151 130.675 -52.2226 130.676 -145.966 -95.6625 -52.2231 -95.6619 -166.949 GPRESSURE: 1728600 -127.123 108.551 -35.0752 136.616 -65.5012 -114.307 -51.9372 -25.7721 -177.427 PRESSAVG: 1728600 -18.4702 38.5822 8.47001 38.5822 -7.52645 -50.4832 8.46999 -50.4834 34.7123 GPRESSAVG: 1728600 -17.6636 37.9374 7.9701 38.2461 -8.57904 -51.2045 8.97604 -51.2239 35.0693 TIMING: 1728600 CPU: 5019.11, 0.00292027/step Wall: 5019.11, 0.00292027/step, 2.65371 hours remaining, 207.734375 MB of memory in use. ENERGY: 1728600 760.2229 2153.1477 1968.4687 113.7410 -206055.2372 17629.7374 0.0000 0.0000 34251.2560 -149178.6636 299.1247 -183429.9196 -149081.3789 299.4135 -156.0223 -123.3505 558561.2618 2.9052 2.9422 PRESSURE: 1728800 -72.2255 -0.420858 123.633 -0.421068 71.5747 -20.7548 123.634 -20.7533 73.4546 GPRESSURE: 1728800 -18.8624 -25.9567 89.339 16.226 73.0327 -64.6843 118.771 55.7511 101.067 PRESSAVG: 1728800 6.39469 -21.4633 29.6983 -21.4633 24.7051 12.7791 29.6983 12.7792 -29.6516 GPRESSAVG: 1728800 5.78731 -20.5988 30.1745 -20.8325 24.2334 13.5947 30.5597 12.9887 -28.3724 TIMING: 1728800 CPU: 5019.69, 0.00292435/step Wall: 5019.69, 0.00292435/step, 2.65726 hours remaining, 207.734375 MB of memory in use. ENERGY: 1728800 743.8286 2141.0337 1963.5468 110.7971 -206585.0760 18005.4721 0.0000 0.0000 34356.4355 -149263.9622 300.0433 -183620.3977 -149166.5536 298.7299 24.2679 51.7456 556466.3189 0.4827 0.5495 PRESSURE: 1729000 -83.332 50.0741 -170.564 50.0736 37.9137 -20.0879 -170.565 -20.0882 -80.9398 GPRESSURE: 1729000 -47.0013 -27.0044 -152.328 53.2868 55.3415 71.4727 -173.631 -103.745 -55.4429 PRESSAVG: 1729000 -58.7576 -7.76835 -1.52608 -7.76843 24.6849 -34.1177 -1.52621 -34.1178 20.072 GPRESSAVG: 1729000 -57.0367 -10.2915 -0.163316 -7.95961 23.6586 -32.5866 -2.57727 -34.8556 18.4583 TIMING: 1729000 CPU: 5020.27, 0.0028989/step Wall: 5020.27, 0.0028989/step, 2.63397 hours remaining, 207.734375 MB of memory in use. ENERGY: 1729000 726.2307 2136.6921 1955.4103 102.8786 -206158.9765 17676.4895 0.0000 0.0000 34242.0877 -149319.1876 299.0447 -183561.2753 -149218.8900 299.2759 -42.1194 -15.7009 556847.7047 -4.6669 -4.9733 PRESSURE: 1729200 -94.9314 129.707 -2.11506 129.708 47.3089 13.6662 -2.11499 13.6658 -160.685 GPRESSURE: 1729200 -52.5009 130.507 -2.134 66.7381 102.692 -14.2551 -9.23634 -67.9175 -162.914 PRESSAVG: 1729200 -44.2976 -2.63228 -9.32819 -2.63227 85.7385 -7.47816 -9.32816 -7.47819 -17.8167 GPRESSAVG: 1729200 -45.7627 -0.229531 -9.79394 -2.37297 86.7115 -10.2956 -10.5865 -6.01072 -17.19 TIMING: 1729200 CPU: 5020.85, 0.00291478/step Wall: 5020.85, 0.00291478/step, 2.64824 hours remaining, 207.734375 MB of memory in use. ENERGY: 1729200 746.5045 2126.7368 1970.5571 122.4794 -206042.4323 17560.2044 0.0000 0.0000 34250.7258 -149265.2242 299.1201 -183515.9501 -149170.3372 298.7817 -69.4359 -37.5742 557192.5372 7.8747 7.9196 PRESSURE: 1729400 -125.488 79.9091 87.6949 79.9079 71.0408 94.3206 87.6951 94.3203 100.494 GPRESSURE: 1729400 -101.556 85.4335 90.8195 4.12742 117.557 3.02562 49.3233 91.2632 111.4 PRESSAVG: 1729400 -22.0874 7.76957 -47.4554 7.76949 11.5381 -9.47778 -47.4553 -9.47772 8.69337 GPRESSAVG: 1729400 -22.8513 6.9216 -47.138 7.73601 11.621 -7.78651 -46.387 -10.3366 9.2642 TIMING: 1729400 CPU: 5021.44, 0.0029069/step Wall: 5021.44, 0.0029069/step, 2.64092 hours remaining, 207.734375 MB of memory in use. ENERGY: 1729400 769.2516 2186.8583 1959.1296 126.4675 -206192.1986 17798.5420 0.0000 0.0000 34172.1025 -149179.8471 298.4335 -183351.9496 -149090.9787 298.7134 15.3486 42.4671 555625.3566 -0.6186 -0.6554 PRESSURE: 1729600 180.056 -27.2386 -72.9537 -27.2367 226.847 -19.5419 -72.9543 -19.5431 -49.0741 GPRESSURE: 1729600 243.432 62.6316 -10.1205 -1.16086 243.643 -118.4 -109.567 -77.2633 -33.9659 PRESSAVG: 1729600 -53.7353 6.03883 -15.5704 6.03885 47.9145 -35.8362 -15.5703 -35.8363 32.2826 GPRESSAVG: 1729600 -53.5058 5.55622 -15.1072 7.14652 48.952 -35.6826 -16.7462 -36.2295 31.4005 TIMING: 1729600 CPU: 5022.02, 0.00291878/step Wall: 5022.02, 0.00291878/step, 2.65155 hours remaining, 207.734375 MB of memory in use. ENERGY: 1729600 787.0909 2177.2123 1927.3294 108.0361 -206513.5098 17982.5740 0.0000 0.0000 34341.3675 -149189.8995 299.9117 -183531.2670 -149091.0627 299.8390 119.2763 151.0365 556380.7638 8.8206 8.9489 PRESSURE: 1729800 -84.26 -127.983 0.188532 -127.983 -9.78703 -7.34863 0.187506 -7.3501 -13.4366 GPRESSURE: 1729800 -80.2314 -133.975 -30.808 -65.3561 2.78571 24.7245 73.3232 -72.2968 62.5777 PRESSAVG: 1729800 -71.1812 -52.7112 4.78614 -52.7112 70.3071 -35.5419 4.78617 -35.5419 3.73061 GPRESSAVG: 1729800 -69.7601 -52.4291 5.78146 -53.1993 69.7078 -37.4105 4.9197 -33.3179 2.98326 TIMING: 1729800 CPU: 5022.6, 0.00291437/step Wall: 5022.6, 0.00291437/step, 2.64738 hours remaining, 207.734375 MB of memory in use. ENERGY: 1729800 780.6281 2188.9609 1967.2817 127.1429 -206415.8667 17769.7660 0.0000 0.0000 34416.3474 -149165.7397 300.5665 -183582.0871 -149066.2572 299.8267 -35.8279 -4.9560 556422.4812 0.9522 0.9770 PRESSURE: 1730000 90.4995 66.8463 -117.999 66.8469 188.976 -20.8206 -117.998 -20.822 -16.0856 GPRESSURE: 1730000 129.612 49.1782 -111.638 62.0116 216.919 123.993 -6.09472 -9.87189 14.2829 PRESSAVG: 1730000 7.13211 -25.9249 -22.753 -25.925 -0.921646 -39.5809 -22.7529 -39.5811 -13.6219 GPRESSAVG: 1730000 5.17812 -25.5357 -24.3995 -25.6721 -0.610207 -37.8001 -21.1168 -39.1767 -11.938 TIMING: 1730000 CPU: 5023.19, 0.00292595/step Wall: 5023.19, 0.00292595/step, 2.65774 hours remaining, 207.734375 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: 1730000 737.0552 2123.8694 1969.7675 114.8398 -206240.4474 17874.9189 0.0000 0.0000 34207.4731 -149212.5235 298.7424 -183419.9966 -149110.1965 299.2644 87.7967 120.2714 556099.3413 -2.4705 -2.4567 PRESSURE: 1730200 258.45 -1.2658 -2.20166 -1.26532 263.105 -17.5908 -2.20187 -17.5898 -137.977 GPRESSURE: 1730200 317.274 -12.9623 63.5061 -10.9598 229.003 62.1113 4.92723 -42.8354 -78.0082 PRESSAVG: 1730200 -9.83838 -17.1982 -36.4073 -17.1983 -33.6196 -40.6144 -36.4074 -40.6144 64.798 GPRESSAVG: 1730200 -9.07874 -16.304 -35.8467 -19.1549 -32.7089 -41.2664 -38.4982 -43.9043 62.5942 TIMING: 1730200 CPU: 5023.77, 0.00291102/step Wall: 5023.77, 0.00291102/step, 2.64401 hours remaining, 207.734375 MB of memory in use. ENERGY: 1730200 786.7759 2046.1944 1958.5955 126.0814 -206805.0358 18175.3330 0.0000 0.0000 34480.6433 -149231.4124 301.1280 -183712.0557 -149139.9819 299.4813 127.8594 156.0896 554670.2370 7.1133 6.9355 PRESSURE: 1730400 -155.189 87.7544 -4.42701 87.7539 3.92477 88.1282 -4.42661 88.127 32.5744 GPRESSURE: 1730400 -87.0734 65.0307 -3.01524 50.0267 49.5019 -111.25 -65.5547 118.665 7.17945 PRESSAVG: 1730400 -22.5731 32.9889 -0.388253 32.9889 38.5866 -5.75464 -0.388224 -5.75467 2.24107 GPRESSAVG: 1730400 -22.6453 34.8685 -2.34278 31.1379 36.8718 -6.59924 1.05654 -4.03223 4.07834 TIMING: 1730400 CPU: 5024.35, 0.00292291/step Wall: 5024.35, 0.00292291/step, 2.65465 hours remaining, 207.746094 MB of memory in use. ENERGY: 1730400 699.1092 2081.1998 1975.3347 112.9479 -206188.6009 17690.4491 0.0000 0.0000 34278.4204 -149351.1399 299.3620 -183629.5603 -149261.2711 299.0216 -39.5632 -10.1307 557331.5840 6.0848 6.1016 PRESSURE: 1730600 96.8272 26.6729 -45.8624 26.6722 -143.637 13.0138 -45.8628 13.0146 31.4883 GPRESSURE: 1730600 65.3237 -8.39614 -59.6998 52.0942 -89.1403 52.6383 -58.2307 -7.46891 105.991 PRESSAVG: 1730600 12.2148 12.688 -2.947 12.6881 -70.413 -19.3869 -2.94708 -19.3869 54.1123 GPRESSAVG: 1730600 13.07 8.09197 -1.60788 15.7718 -70.5432 -19.0092 -3.27823 -19.2313 53.5958 TIMING: 1730600 CPU: 5024.94, 0.00292182/step Wall: 5024.94, 0.00292182/step, 2.6535 hours remaining, 207.746094 MB of memory in use. ENERGY: 1730600 755.1310 2112.5471 1981.8100 117.7703 -206132.7798 17756.4424 0.0000 0.0000 34210.3023 -149198.7767 298.7671 -183409.0789 -149105.7603 298.7232 -5.1073 27.3914 557661.2771 -1.3620 -1.2924 PRESSURE: 1730800 108.947 14.805 -183.453 14.8043 -23.5011 112.375 -183.452 112.374 320.959 GPRESSURE: 1730800 108.54 -10.2125 -254.086 114.36 28.3943 69.6039 -103.326 92.494 358.175 PRESSAVG: 1730800 18.2144 14.0109 31.4244 14.011 0.587878 16.2669 31.4245 16.267 30.1423 GPRESSAVG: 1730800 17.5796 17.8444 29.8537 11.3983 0.866009 17.0307 33.2796 14.8556 30.8828 TIMING: 1730800 CPU: 5025.52, 0.00291392/step Wall: 5025.52, 0.00291392/step, 2.64617 hours remaining, 207.746094 MB of memory in use. ENERGY: 1730800 706.5892 2082.0873 1990.2260 126.7104 -206288.6704 17954.4962 0.0000 0.0000 34226.5559 -149202.0053 298.9090 -183428.5612 -149104.7075 299.4477 135.4684 165.0363 558003.8956 16.3149 16.4428 PRESSURE: 1731000 -18.4194 -79.324 12.6848 -79.3231 -65.2627 -24.4885 12.685 -24.4878 -51.7354 GPRESSURE: 1731000 58.1447 -33.2962 37.9825 -61.1211 -42.7082 -7.37956 15.0867 -71.6138 -39.1335 PRESSAVG: 1731000 10.2494 -71.0678 6.82539 -71.0678 -28.4047 -44.2105 6.82544 -44.2105 26.0046 GPRESSAVG: 1731000 10.9006 -71.4628 8.16665 -69.4775 -28.4768 -44.1792 5.37767 -42.5885 25.2003 TIMING: 1731000 CPU: 5026.1, 0.00290568/step Wall: 5026.1, 0.00290568/step, 2.63852 hours remaining, 207.746094 MB of memory in use. ENERGY: 1731000 742.4797 2080.4461 1956.2295 123.3803 -206050.6320 17676.8685 0.0000 0.0000 34298.9612 -149172.2667 299.5414 -183471.2278 -149069.9824 298.7655 -45.1391 -7.8990 557211.7324 2.6165 2.5414 PRESSURE: 1731200 54.0517 -143.83 -146.567 -143.83 188.281 -25.2361 -146.566 -25.236 -9.83939 GPRESSURE: 1731200 70.7843 -85.5688 -77.3795 -137.553 220.821 -40.1068 -177.151 -73.9851 29.9134 PRESSAVG: 1731200 64.083 -44.4222 38.2362 -44.4221 -60.8301 -39.802 38.2361 -39.802 -18.4475 GPRESSAVG: 1731200 63.0188 -43.786 38.4647 -45.9581 -61.7019 -39.8378 38.0374 -39.8173 -17.2849 TIMING: 1731200 CPU: 5026.69, 0.00292301/step Wall: 5026.69, 0.00292301/step, 2.6541 hours remaining, 207.746094 MB of memory in use. ENERGY: 1731200 674.1444 2115.0754 1995.2520 128.0349 -206288.3327 17806.4386 0.0000 0.0000 34340.7512 -149228.6363 299.9063 -183569.3874 -149131.4169 299.5686 77.4979 107.1730 556458.1271 -5.0648 -5.3227 PRESSURE: 1731400 80.0643 135.645 -57.0518 135.645 -81.0087 1.10943 -57.0505 1.11065 37.5649 GPRESSURE: 1731400 128.916 100.364 -50.5437 166.837 -34.1505 21.0026 -104.065 3.07073 34.7859 PRESSAVG: 1731400 31.1009 -33.9865 -7.65292 -33.9864 -29.8714 15.574 -7.65293 15.5741 2.4426 GPRESSAVG: 1731400 31.9618 -36.6875 -6.75843 -31.7073 -29.7884 13.935 -6.9302 15.6027 1.42683 TIMING: 1731400 CPU: 5027.27, 0.00290968/step Wall: 5027.27, 0.00290968/step, 2.64183 hours remaining, 207.746094 MB of memory in use. ENERGY: 1731400 759.2756 2091.5821 1969.2917 100.7600 -205857.3443 17608.4230 0.0000 0.0000 34173.5742 -149154.4376 298.4463 -183328.0118 -149064.3700 299.6036 12.2068 43.1840 557033.9194 1.2240 1.2001 PRESSURE: 1731600 -126.107 63.9004 14.9265 63.9005 -93.197 -37.6512 14.9253 -37.6509 181.818 GPRESSURE: 1731600 -143.966 43.6536 126.522 87.9631 3.14531 7.96314 -32.3103 -37.1383 202.878 PRESSAVG: 1731600 16.9653 -40.7601 -10.199 -40.7601 -17.8396 4.30836 -10.1991 4.30842 -28.1736 GPRESSAVG: 1731600 15.2708 -40.1861 -12.3235 -41.0868 -17.1389 6.4564 -10.1178 4.8473 -26.9079 TIMING: 1731600 CPU: 5027.85, 0.00288359/step Wall: 5027.85, 0.00288359/step, 2.61798 hours remaining, 207.746094 MB of memory in use. ENERGY: 1731600 730.4036 2127.9598 1984.1560 116.9245 -206096.8850 17677.6568 0.0000 0.0000 34528.2257 -148931.5586 301.5436 -183459.7843 -148838.4142 299.0849 -12.4954 20.6859 557412.5591 -9.6826 -9.5920 PRESSURE: 1731800 -55.3048 23.1524 55.2486 23.152 -434.909 73.2189 55.2496 73.218 -52.8292 GPRESSURE: 1731800 9.27581 42.3112 63.1279 -33.6778 -407.436 51.6472 24.0541 89.6654 -53.5241 PRESSAVG: 1731800 39.6978 -0.923999 -16.404 -0.924146 -38.412 48.6249 -16.404 48.6248 22.101 GPRESSAVG: 1731800 40.5413 -0.6805 -16.249 -2.40271 -39.0956 45.5608 -15.4525 48.4783 21.4848 TIMING: 1731800 CPU: 5028.42, 0.00289112/step Wall: 5028.42, 0.00289112/step, 2.62466 hours remaining, 207.746094 MB of memory in use. ENERGY: 1731800 765.2508 2055.5142 1925.1859 103.8553 -205774.9208 17568.2870 0.0000 0.0000 34427.1555 -148929.6721 300.6609 -183356.8276 -148832.5095 300.1098 -181.0142 -150.5613 558132.7748 7.7956 7.6435 PRESSURE: 1732000 -173.461 5.04815 31.728 5.04833 -33.3478 -50.1473 31.7269 -50.1461 -228.029 GPRESSURE: 1732000 -157.023 31.5468 0.81423 -49.7362 10.3267 -52.6526 49.8032 -68.7457 -183.464 PRESSAVG: 1732000 25.3329 -7.67986 -39.3336 -7.67992 -14.572 -0.932138 -39.3336 -0.932184 -7.83008 GPRESSAVG: 1732000 25.3321 -6.34932 -39.971 -7.09765 -13.2957 1.7246 -40.4802 -2.15206 -8.9431 TIMING: 1732000 CPU: 5029, 0.00289491/step Wall: 5029, 0.00289491/step, 2.62793 hours remaining, 207.746094 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: 1732000 729.7942 2080.9330 1969.2058 110.6714 -205735.8268 17471.7669 0.0000 0.0000 34335.3617 -149038.0939 299.8593 -183373.4555 -148942.4654 299.1894 -144.9458 -110.0534 556420.0941 0.9770 1.0311 PRESSURE: 1732200 155.217 -153.959 49.9434 -153.96 84.0293 109.769 49.9424 109.768 17.3433 GPRESSURE: 1732200 140.482 -52.6468 92.0055 -120.372 100.385 81.1792 89.8118 81.6916 124.15 PRESSAVG: 1732200 48.6369 0.4086 -13.6178 0.408567 -17.1027 -0.671151 -13.6179 -0.67111 -21.3496 GPRESSAVG: 1732200 46.8863 1.63067 -12.8451 0.335531 -17.2787 -0.632939 -13.4629 -1.72576 -20.0318 TIMING: 1732200 CPU: 5029.58, 0.00289847/step Wall: 5029.58, 0.00289847/step, 2.63101 hours remaining, 207.746094 MB of memory in use. ENERGY: 1732200 702.7487 2086.1160 1996.2186 111.4880 -206098.0695 17767.2929 0.0000 0.0000 34364.7509 -149069.4544 300.1159 -183434.2053 -148976.4199 299.4873 85.5300 121.6721 556295.1637 3.3949 3.1919 LDB: ============= START OF LOAD BALANCING ============== 5033.05 LDB: ============== END OF LOAD BALANCING =============== 5033.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.05 LDB: ============= START OF LOAD BALANCING ============== 5033.34 LDB: Largest compute 4821 load 0.030021 is 25.5% of average load 0.117649 LDB: Average compute 0.001722 is 1.5% of average load 0.117649 LDB: TIME 5033.34 LOAD: AVG 0.117649 MAX 0.176536 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.301 MB LDB: TIME 5033.34 LOAD: AVG 0.117649 MAX 0.176536 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: TIME 5033.34 LOAD: AVG 0.117649 MAX 0.176536 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5033.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.35 PRESSURE: 1732400 -22.7356 45.2891 -19.4732 45.2895 -11.4897 -21.2692 -19.4728 -21.2666 92.0997 GPRESSURE: 1732400 36.7339 172.684 -26.6295 -57.336 -28.6544 -8.92428 -20.0111 -53.3539 135.046 PRESSAVG: 1732400 64.7639 62.4618 3.00742 62.4618 11.208 -12.1889 3.00749 -12.189 -58.0284 GPRESSAVG: 1732400 65.9092 61.9037 2.45914 60.9608 10.3132 -13.0228 4.51708 -8.84292 -58.9267 TIMING: 1732400 CPU: 5030.17, 0.00294125/step Wall: 5030.17, 0.00294125/step, 2.66967 hours remaining, 206.648438 MB of memory in use. ENERGY: 1732400 719.3497 2106.7370 1968.9089 105.2973 -205901.3980 17743.4585 0.0000 0.0000 34423.7179 -148833.9287 300.6309 -183257.6466 -148738.4643 299.7259 19.2915 47.7084 556890.2787 5.9812 5.7653 PRESSURE: 1732600 48.9975 15.0515 125.764 15.051 4.71294 100.832 125.764 100.833 -156.549 GPRESSURE: 1732600 108.294 -11.5317 122.474 -17.6981 2.96598 131.875 107.463 46.4827 -114.42 PRESSAVG: 1732600 34.5701 13.3978 0.793824 13.3978 -34.8677 -40.4611 0.793781 -40.4611 11.4656 GPRESSAVG: 1732600 34.8712 13.1037 2.05871 14.5211 -35.1619 -39.567 -0.263576 -43.3393 11.3714 TIMING: 1732600 CPU: 5030.74, 0.00286877/step Wall: 5030.74, 0.00286877/step, 2.60373 hours remaining, 206.718750 MB of memory in use. ENERGY: 1732600 734.2199 2093.8050 1992.8463 112.9062 -205792.8476 17604.6194 0.0000 0.0000 34296.6863 -148957.7645 299.5215 -183254.4508 -148861.7920 299.6705 -34.2796 -1.0534 557171.8332 3.7226 3.6936 PRESSURE: 1732800 35.2647 -36.0579 152.047 -36.0561 -28.8662 -49.2222 152.045 -49.2207 112.282 GPRESSURE: 1732800 121.429 -99.7604 128.616 -18.1367 -56.24 -34.6066 17.3554 15.1696 160.696 PRESSAVG: 1732800 -12.7321 -44.6513 1.17813 -44.6512 9.06077 34.0337 1.17812 34.0336 21.2333 GPRESSAVG: 1732800 -13.6769 -45.021 4.19873 -44.7259 8.64459 31.8184 -1.74161 34.4613 22.5313 TIMING: 1732800 CPU: 5031.32, 0.00288521/step Wall: 5031.32, 0.00288521/step, 2.61849 hours remaining, 206.718750 MB of memory in use. ENERGY: 1732800 727.1867 2106.2184 2009.8747 110.5023 -206044.7656 17861.7541 0.0000 0.0000 34304.7490 -148924.4803 299.5919 -183229.2293 -148827.3537 300.2123 39.5603 75.2950 556986.3732 5.8540 5.8330 PRESSURE: 1733000 -96.5451 -85.3793 -54.5381 -85.3807 -1.05139 -120.441 -54.5367 -120.439 -111.541 GPRESSURE: 1733000 -50.3535 -192.021 -34.8683 -76.5536 -10.0878 -115.602 -62.0876 -102.82 -63.5601 PRESSAVG: 1733000 -35.9745 -10.0779 28.4995 -10.0779 34.8456 26.947 28.4995 26.9469 -38.9585 GPRESSAVG: 1733000 -35.2203 -7.98666 24.3272 -12.9951 34.7656 30.0152 31.5009 26.7667 -39.447 TIMING: 1733000 CPU: 5031.9, 0.00287065/step Wall: 5031.9, 0.00287065/step, 2.60511 hours remaining, 206.718750 MB of memory in use. ENERGY: 1733000 756.0248 2141.9513 1948.0367 111.3354 -205844.4698 17709.4390 0.0000 0.0000 34368.0240 -148809.6586 300.1445 -183177.6826 -148716.9886 300.3334 -69.7125 -41.3338 558798.8331 -13.3625 -13.3006 PRESSURE: 1733200 98.4553 216.787 42.9 216.788 -114.091 32.4059 42.899 32.4054 -258.184 GPRESSURE: 1733200 134.669 224.137 -25.5333 148.041 -77.5545 -36.6827 -4.17833 20.4819 -217.072 PRESSAVG: 1733200 -0.0700602 -36.9668 35.9334 -36.9669 31.9908 8.46172 35.9333 8.46168 1.50863 GPRESSAVG: 1733200 -1.06979 -39.3766 38.0489 -34.3923 33.2753 6.96141 34.6498 9.55193 0.780786 TIMING: 1733200 CPU: 5032.47, 0.00288746/step Wall: 5032.47, 0.00288746/step, 2.62021 hours remaining, 206.718750 MB of memory in use. ENERGY: 1733200 744.8106 2110.9894 1977.5915 130.1140 -205675.9081 17614.6030 0.0000 0.0000 34168.9185 -148928.8812 298.4057 -183097.7996 -148838.8461 299.4302 -91.2732 -53.3192 558256.4849 11.1431 10.9954 PRESSURE: 1733400 222.8 194.302 -17.7533 194.301 -94.5855 83.3479 -17.7526 83.3483 -8.01109 GPRESSURE: 1733400 266.985 182.548 15.7545 149.154 -85.1096 -9.51788 -83.8767 85.8957 34.8568 PRESSAVG: 1733400 65.1594 37.241 23.6596 37.241 -12.6327 -46.7887 23.6596 -46.7887 -57.1484 GPRESSAVG: 1733400 66.2629 37.8841 22.2671 36.9401 -12.2957 -48.8251 24.3513 -46.9364 -57.6909 TIMING: 1733400 CPU: 5033.06, 0.0029196/step Wall: 5033.06, 0.0029196/step, 2.64921 hours remaining, 206.718750 MB of memory in use. ENERGY: 1733400 754.2973 2146.6571 1958.1101 122.8412 -206114.2063 17927.8779 0.0000 0.0000 34101.1943 -149103.2285 297.8142 -183204.4227 -149009.4087 299.7365 40.0677 72.2440 557482.6161 -1.5406 -1.2412 PRESSURE: 1733600 -180.775 81.8864 -10.0068 81.886 164.987 -71.649 -10.0066 -71.6483 -7.68923 GPRESSURE: 1733600 -117.901 170.572 108.875 105.57 185.007 -73.606 -68.8697 -62.9319 14.8178 PRESSAVG: 1733600 2.36899 3.27077 -13.3261 3.27078 -2.76762 -8.22711 -13.3262 -8.2271 20.7362 GPRESSAVG: 1733600 1.60419 3.95685 -14.4647 4.03369 -3.6186 -6.70291 -12.4327 -8.598 22.5188 TIMING: 1733600 CPU: 5033.64, 0.00291091/step Wall: 5033.64, 0.00291091/step, 2.64117 hours remaining, 206.718750 MB of memory in use. ENERGY: 1733600 701.8096 2085.9840 1961.5884 123.0121 -206030.9005 17722.2580 0.0000 0.0000 34290.5768 -149145.6717 299.4681 -183436.2484 -149055.3027 299.2284 -7.8258 27.3078 556446.1089 6.7792 6.8348 PRESSURE: 1733800 -145.398 -94.9431 5.27944 -94.944 165.015 -62.8097 5.27954 -62.8091 -241.782 GPRESSURE: 1733800 -112.354 -42.1612 16.5281 -228.346 224.091 -56.6545 46.0384 -40.452 -224.365 PRESSAVG: 1733800 31.789 6.956 -27.2504 6.95596 8.67076 -44.1092 -27.2504 -44.1091 -21.6711 GPRESSAVG: 1733800 32.9359 8.05668 -25.8125 7.47863 8.75695 -43.6568 -28.4912 -44.157 -23.0474 TIMING: 1733800 CPU: 5034.22, 0.0028945/step Wall: 5034.22, 0.0028945/step, 2.62612 hours remaining, 206.718750 MB of memory in use. ENERGY: 1733800 739.5549 2119.4675 1965.9930 127.8295 -206277.5603 17752.3247 0.0000 0.0000 34325.5486 -149246.8422 299.7736 -183572.3908 -149155.5728 298.5426 -74.0550 -37.5426 557964.6208 6.2629 6.2152 PRESSURE: 1734000 161.97 -107.003 17.4931 -107.004 -377.728 66.1603 17.4937 66.1616 -14.4833 GPRESSURE: 1734000 158.567 -24.4842 -23.7571 -170.5 -333.928 93.2595 -30.9704 40.2003 62.4176 PRESSAVG: 1734000 33.893 19.0863 -32.2252 19.0863 -50.5966 -32.5437 -32.2251 -32.5438 2.1814 GPRESSAVG: 1734000 33.1345 18.2885 -32.8013 19.1287 -50.5162 -33.9182 -33.7053 -30.7719 3.37984 TIMING: 1734000 CPU: 5034.8, 0.00289066/step Wall: 5034.8, 0.00289066/step, 2.62247 hours remaining, 206.718750 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: 1734000 741.3463 2044.7788 1936.0109 110.2515 -206065.5883 17666.2241 0.0000 0.0000 34231.7084 -149335.2683 298.9540 -183566.9766 -149235.1552 298.9916 -76.7468 -37.6476 557098.6449 -4.8407 -4.6673 PRESSURE: 1734200 265.991 4.83219 -191.111 4.83262 78.097 -23.7466 -191.113 -23.7494 263.666 GPRESSURE: 1734200 362.603 -59.4057 -256.015 -17.6992 77.4534 -83.344 -170.243 -64.0154 251.014 PRESSAVG: 1734200 89.3844 11.8508 -19.1503 11.8508 -71.3919 40.6309 -19.1502 40.6309 -1.88081 GPRESSAVG: 1734200 88.8506 11.6519 -19.0819 11.9619 -71.0074 41.248 -17.7181 39.8143 -2.17996 TIMING: 1734200 CPU: 5035.37, 0.00288879/step Wall: 5035.37, 0.00288879/step, 2.62061 hours remaining, 206.718750 MB of memory in use. ENERGY: 1734200 729.6492 2116.4918 1968.6778 116.6958 -206372.7023 17952.1017 0.0000 0.0000 34332.0320 -149157.0540 299.8302 -183489.0860 -149053.8307 299.5341 202.5846 230.3569 555729.5730 5.3706 5.2211 PRESSURE: 1734400 112.297 54.5469 -76.3508 54.5465 4.81717 100.998 -76.3507 100.996 -242.67 GPRESSURE: 1734400 147.668 87.3976 -38.2701 36.3075 -14.7435 69.284 -43.743 100.792 -159.287 PRESSAVG: 1734400 39.8294 -4.31614 -32.3537 -4.31613 -104.472 -7.6759 -32.3537 -7.67584 24.007 GPRESSAVG: 1734400 40.2456 -3.28205 -30.9868 -4.19074 -105.54 -7.69773 -33.5671 -8.32337 24.7472 TIMING: 1734400 CPU: 5035.95, 0.0028839/step Wall: 5035.95, 0.0028839/step, 2.61602 hours remaining, 206.718750 MB of memory in use. ENERGY: 1734400 761.5878 2087.3243 1958.8084 105.7975 -206172.8402 17866.8099 0.0000 0.0000 34344.1713 -149048.3410 299.9362 -183392.5123 -148947.9061 299.7239 -41.8519 -8.7878 557404.4304 -13.5453 -13.5157 PRESSURE: 1734600 -58.4337 165.816 -1.92129 165.815 -134.293 -110.106 -1.92135 -110.106 3.70042 GPRESSURE: 1734600 -31.4024 108.098 -40.6859 291.59 -126.532 -169.882 3.42022 -164.193 67.072 PRESSAVG: 1734600 50.0937 0.981825 -30.3267 0.981818 -6.27508 -59.6451 -30.3267 -59.6451 -30.716 GPRESSAVG: 1734600 49.7189 -0.670357 -32.0429 2.33982 -5.04461 -59.8071 -29.0579 -57.7078 -31.0994 TIMING: 1734600 CPU: 5036.53, 0.00289934/step Wall: 5036.53, 0.00289934/step, 2.62986 hours remaining, 206.718750 MB of memory in use. ENERGY: 1734600 760.8022 2055.5345 1959.3906 113.3578 -206185.1192 17860.5544 0.0000 0.0000 34110.5085 -149324.9713 297.8956 -183435.4798 -149227.5574 299.0634 -63.0088 -30.2874 557797.8200 4.3675 4.5250 PRESSURE: 1734800 -36.1044 -46.0101 22.3905 -46.0096 106.518 -19.2693 22.39 -19.2702 -45.8873 GPRESSURE: 1734800 -23.7754 93.8339 11.7296 -131.927 161.477 42.1429 -23.9807 -18.6121 -9.28735 PRESSAVG: 1734800 -46.5909 19.2902 -37.8839 19.2901 38.7611 -21.9669 -37.8839 -21.967 14.5487 GPRESSAVG: 1734800 -45.7252 20.4092 -37.4232 18.4046 38.1805 -19.962 -38.878 -25.8781 14.1396 TIMING: 1734800 CPU: 5037.1, 0.00286739/step Wall: 5037.1, 0.00286739/step, 2.60073 hours remaining, 206.718750 MB of memory in use. ENERGY: 1734800 739.4780 2107.7237 1966.7949 115.6043 -206471.4097 17923.1803 0.0000 0.0000 34317.0069 -149301.6216 299.6990 -183618.6285 -149213.9081 298.1261 8.1756 42.8046 557381.7219 2.2396 2.1983 PRESSURE: 1735000 -288.21 81.1673 55.3989 81.1669 73.3163 -6.93876 55.3989 -6.9397 -220.559 GPRESSURE: 1735000 -280.688 67.4691 2.95739 162.102 79.4362 33.4679 43.7997 -10.7411 -131.051 PRESSAVG: 1735000 -53.0607 17.4833 -33.6922 17.4833 -24.544 -43.8885 -33.6922 -43.8884 64.1681 GPRESSAVG: 1735000 -53.4653 18.5993 -32.3677 16.8934 -23.9766 -47.1048 -32.8873 -41.418 63.6355 TIMING: 1735000 CPU: 5037.68, 0.00287675/step Wall: 5037.68, 0.00287675/step, 2.60905 hours remaining, 206.718750 MB of memory in use. ENERGY: 1735000 729.0746 2146.8821 1961.0728 104.5077 -206115.9494 17639.4122 0.0000 0.0000 34311.9618 -149223.0382 299.6549 -183535.0001 -149127.6187 299.1221 -145.1509 -110.7677 559138.9462 -4.4789 -4.6022 PRESSURE: 1735200 -201.397 7.04915 15.6242 7.04914 -158.113 -10.8574 15.6231 -10.859 -33.9077 GPRESSURE: 1735200 -144.28 65.4486 -48.5972 20.059 -137.369 11.2138 93.6353 -45.0467 -7.65692 PRESSAVG: 1735200 -27.0616 23.0434 -29.0369 23.0434 45.6039 -26.2643 -29.0369 -26.2644 -32.1417 GPRESSAVG: 1735200 -27.1738 22.996 -29.6036 21.2792 44.6749 -23.9545 -30.9682 -26.7305 -31.0006 TIMING: 1735200 CPU: 5038.26, 0.00288017/step Wall: 5038.26, 0.00288017/step, 2.612 hours remaining, 206.718750 MB of memory in use. ENERGY: 1735200 729.7879 2066.8867 1983.9208 116.6307 -206193.8859 17675.3076 0.0000 0.0000 34605.2732 -149016.0789 302.2165 -183621.3522 -148915.6578 299.6510 -131.1391 -96.4353 558725.9447 -4.5331 -4.4999 PRESSURE: 1735400 -69.8411 -18.6154 122.288 -18.6159 -38.6152 -6.33039 122.289 -6.32765 -62.7759 GPRESSURE: 1735400 -30.4135 -17.8327 179.029 59.9889 -13.1227 1.64487 60.6118 1.52876 -45.6333 PRESSAVG: 1735400 -6.84892 20.0314 7.71546 20.0313 -68.0068 -12.163 7.7155 -12.163 69.0036 GPRESSAVG: 1735400 -6.26426 18.8186 6.98275 22.8535 -68.4054 -12.9773 9.5075 -10.9059 69.0685 TIMING: 1735400 CPU: 5038.83, 0.00287961/step Wall: 5038.83, 0.00287961/step, 2.61132 hours remaining, 206.718750 MB of memory in use. ENERGY: 1735400 797.0724 2077.1663 1974.6601 115.9230 -206092.3446 17845.9591 0.0000 0.0000 34351.3731 -148930.1906 299.9991 -183281.5637 -148837.7790 299.8851 -57.0774 -29.7232 559006.3412 -1.9507 -1.8671 PRESSURE: 1735600 5.76368 -89.0761 -108.622 -89.0761 -93.2091 67.9783 -108.62 67.9793 -206.282 GPRESSURE: 1735600 9.47355 -59.2601 -63.3962 -46.0311 -28.1887 47.3313 -73.9486 46.6889 -193.673 PRESSAVG: 1735600 -39.4412 2.37854 -5.62466 2.37849 -31.4219 -28.3126 -5.62467 -28.3126 69.0388 GPRESSAVG: 1735600 -40.3278 0.704885 -5.85016 1.21512 -29.4275 -27.3081 -6.39833 -29.2199 67.7997 TIMING: 1735600 CPU: 5039.4, 0.00286303/step Wall: 5039.4, 0.00286303/step, 2.59613 hours remaining, 206.843750 MB of memory in use. ENERGY: 1735600 763.3056 2060.1634 2003.3455 114.3570 -206011.9274 17777.9506 0.0000 0.0000 34300.6528 -148992.1526 299.5561 -183292.8054 -148894.2385 299.1989 -97.9093 -70.7961 559497.2154 -0.6081 -0.6519 PRESSURE: 1735800 -24.3943 -108.98 -226.836 -108.978 -113.193 -56.7443 -226.836 -56.7443 65.3569 GPRESSURE: 1735800 32.9953 -93.7088 -120.849 -203.564 -85.336 -123.698 -135.647 -52.7512 95.7746 PRESSAVG: 1735800 -3.7062 7.05168 -1.40179 7.05177 -1.68795 14.1054 -1.4018 14.1054 23.758 GPRESSAVG: 1735800 -3.41682 8.32025 -0.792851 7.883 -2.66298 13.2596 -0.865606 13.21 24.654 TIMING: 1735800 CPU: 5039.98, 0.00287048/step Wall: 5039.98, 0.00287048/step, 2.60273 hours remaining, 206.843750 MB of memory in use. ENERGY: 1735800 720.4139 2001.1069 1978.8080 113.6922 -206025.2927 17817.9242 0.0000 0.0000 34253.2242 -149140.1232 299.1419 -183393.3474 -149041.9694 299.4938 -24.0768 14.4779 557398.1264 6.1213 6.1914 PRESSURE: 1736000 -177.475 83.7066 57.656 83.7054 -69.2618 -116.368 57.6555 -116.368 -54.88 GPRESSURE: 1736000 -146.848 114.126 -14.1936 65.5437 -80.8699 -98.7606 42.6095 -111.52 19.9358 PRESSAVG: 1736000 2.06019 53.4787 -52.2082 53.4786 -39.1941 4.71276 -52.2083 4.71278 2.56319 GPRESSAVG: 1736000 1.59364 54.5463 -52.604 51.7937 -38.1541 5.2421 -52.7073 5.79913 1.91323 TIMING: 1736000 CPU: 5040.55, 0.00287679/step Wall: 5040.55, 0.00287679/step, 2.60829 hours remaining, 206.843750 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: 1736000 755.5920 2032.2708 1970.6575 107.1601 -205804.2334 17606.7060 0.0000 0.0000 34133.5095 -149198.3375 298.0964 -183331.8470 -149106.6916 299.1533 -100.5390 -69.2607 558808.2981 -11.5236 -11.5491 PRESSURE: 1736200 -97.2783 40.698 14.8433 40.6973 136.141 67.7012 14.8411 67.7006 92.3644 GPRESSURE: 1736200 -50.5212 -26.5569 -3.18724 75.3308 165.923 87.326 -24.8475 34.5806 130.882 PRESSAVG: 1736200 -42.8696 51.2039 8.69951 51.204 2.25321 48.1633 8.69945 48.1631 37.233 GPRESSAVG: 1736200 -43.0572 47.8296 7.11144 54.0692 1.51218 49.5932 7.64179 47.1797 38.0446 TIMING: 1736200 CPU: 5041.13, 0.00287385/step Wall: 5041.13, 0.00287385/step, 2.60547 hours remaining, 206.843750 MB of memory in use. ENERGY: 1736200 745.0228 2082.5057 1951.9916 119.6991 -206076.5260 17895.0133 0.0000 0.0000 34162.2360 -149120.0574 298.3473 -183282.2935 -149026.8805 299.5874 43.7424 82.0946 557494.1181 -1.1278 -1.1668 LDB: ============= START OF LOAD BALANCING ============== 5044.59 LDB: ============== END OF LOAD BALANCING =============== 5044.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5044.59 LDB: ============= START OF LOAD BALANCING ============== 5044.88 LDB: Largest compute 4821 load 0.029384 is 25.0% of average load 0.117713 LDB: Average compute 0.001721 is 1.5% of average load 0.117713 LDB: TIME 5044.88 LOAD: AVG 0.117713 MAX 0.179058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.297 MB LDB: TIME 5044.88 LOAD: AVG 0.117713 MAX 0.179058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: TIME 5044.88 LOAD: AVG 0.117713 MAX 0.179058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5044.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5044.89 PRESSURE: 1736400 -57.7573 118.926 -4.19592 118.926 152.594 -149.157 -4.19732 -149.157 -2.09437 GPRESSURE: 1736400 -118.658 89.9687 -41.2377 120.944 232.117 -157.56 18.0482 -67.3176 67.6302 PRESSAVG: 1736400 -22.8713 -3.28022 -52.5788 -3.28024 29.6793 -25.1759 -52.5787 -25.1757 -32.5591 GPRESSAVG: 1736400 -21.818 -1.0905 -52.2076 -4.74834 29.4535 -27.1445 -51.6268 -24.3163 -33.5598 TIMING: 1736400 CPU: 5041.71, 0.00292425/step Wall: 5041.71, 0.00292425/step, 2.651 hours remaining, 205.121094 MB of memory in use. ENERGY: 1736400 741.5402 2068.8243 1955.7100 102.8105 -206171.3034 17833.1532 0.0000 0.0000 34438.4967 -149030.7686 300.7600 -183469.2653 -148938.0876 299.9776 30.9142 60.3628 556998.8505 -8.5837 -8.6415 PRESSURE: 1736600 185.164 -65.0657 -205.737 -65.0659 47.0151 -129.693 -205.736 -129.691 -0.85264 GPRESSURE: 1736600 223.082 -64.1486 -191.794 -11.7825 62.1149 -91.1776 -217.813 -176.754 43.6395 PRESSAVG: 1736600 -16.0158 34.6525 -47.4184 34.6526 54.2066 -21.1202 -47.4183 -21.1201 35.7625 GPRESSAVG: 1736600 -16.9542 35.0732 -46.4568 35.9884 55.2184 -20.9736 -48.1484 -20.1174 36.2782 TIMING: 1736600 CPU: 5042.29, 0.00287786/step Wall: 5042.29, 0.00287786/step, 2.60878 hours remaining, 205.121094 MB of memory in use. ENERGY: 1736600 710.5482 2182.4587 1957.8654 112.7636 -206137.4551 17956.5727 0.0000 0.0000 34243.0910 -148974.1553 299.0534 -183217.2464 -148879.6929 300.3072 77.1089 109.6121 557421.8261 24.6511 24.8475 PRESSURE: 1736800 70.2837 -28.1455 26.9021 -28.1458 67.1281 9.3953 26.9014 9.39454 211.306 GPRESSURE: 1736800 94.6998 35.4407 24.7719 -83.2452 173.043 15.0781 29.0463 24.6957 195.276 PRESSAVG: 1736800 -1.94376 -23.7758 4.98585 -23.7758 -20.1416 42.1198 4.98583 42.1198 27.2045 GPRESSAVG: 1736800 -0.49255 -22.417 4.222 -25.6689 -20.7634 43.6137 6.39637 39.5102 26.2077 TIMING: 1736800 CPU: 5042.86, 0.00286616/step Wall: 5042.86, 0.00286616/step, 2.59802 hours remaining, 205.324219 MB of memory in use. ENERGY: 1736800 723.3861 2073.1437 1919.8438 127.6898 -206154.2873 17808.6418 0.0000 0.0000 34407.1434 -149094.4387 300.4861 -183501.5821 -149000.5459 299.8762 116.2394 154.3397 557006.4423 1.7064 1.6506 PRESSURE: 1737000 69.9026 -3.45598 -162.511 -3.4562 -145.513 92.0269 -162.513 92.0267 34.9509 GPRESSURE: 1737000 113.538 -87.5078 -310.937 14.1568 -100.409 61.601 -51.4655 66.6232 29.8834 PRESSAVG: 1737000 36.0412 -39.7863 -45.1629 -39.7864 -25.2835 -8.28797 -45.163 -8.28804 -1.2351 GPRESSAVG: 1737000 35.3049 -43.2976 -46.802 -36.5423 -24.6379 -8.8224 -44.4079 -6.77042 -1.77525 TIMING: 1737000 CPU: 5043.44, 0.00286707/step Wall: 5043.44, 0.00286707/step, 2.59868 hours remaining, 205.324219 MB of memory in use. ENERGY: 1737000 747.7129 2093.7248 1960.7912 114.2230 -206307.0026 17801.9307 0.0000 0.0000 34362.1360 -149226.4840 300.0931 -183588.6200 -149130.5797 299.0445 -13.5532 14.3375 556875.0687 3.1742 2.9639 PRESSURE: 1737200 -26.5032 -19.9401 2.20254 -19.9396 120.983 68.6498 2.20205 68.6493 310.373 GPRESSURE: 1737200 -4.16815 21.0251 -19.3354 -5.36344 148.26 118.898 17.7226 6.11603 352.285 PRESSAVG: 1737200 -48.3468 -58.1045 -30.7497 -58.1045 19.1229 -14.2814 -30.7498 -14.2814 13.1723 GPRESSAVG: 1737200 -48.5799 -57.9534 -29.0594 -59.4883 19.0214 -12.2661 -31.1651 -15.2265 13.1518 TIMING: 1737200 CPU: 5044.01, 0.00288393/step Wall: 5044.01, 0.00288393/step, 2.6138 hours remaining, 205.324219 MB of memory in use. ENERGY: 1737200 714.7720 2051.5933 1938.7372 110.6476 -206481.4713 18070.0254 0.0000 0.0000 34373.0937 -149222.6021 300.1888 -183595.6958 -149133.5104 299.2593 134.9509 165.4590 557936.7723 -5.3505 -5.4689 PRESSURE: 1737400 -215.649 -103.791 -176.609 -103.789 -117.008 87.1385 -176.609 87.1381 -89.2769 GPRESSURE: 1737400 -160.872 -136.208 -184.165 -110.328 -36.1343 67.6986 -98.9968 151.38 -138.095 PRESSAVG: 1737400 83.3221 -75.8887 -20.517 -75.8887 1.99528 6.9884 -20.517 6.98843 -96.629 GPRESSAVG: 1737400 83.8738 -74.5194 -23.5551 -76.7108 1.9991 5.22212 -20.5348 5.97137 -97.1198 TIMING: 1737400 CPU: 5044.59, 0.00288671/step Wall: 5044.59, 0.00288671/step, 2.61616 hours remaining, 205.363281 MB of memory in use. ENERGY: 1737400 770.0053 2005.9082 1940.9084 108.6682 -206306.4818 17831.9326 0.0000 0.0000 34413.1711 -149235.8879 300.5388 -183649.0590 -149138.1446 299.0002 -140.6449 -111.7002 559516.2417 -3.7706 -3.7490 PRESSURE: 1737600 -270.951 87.6169 134.435 87.6178 -395.552 45.5172 134.435 45.5165 -273.271 GPRESSURE: 1737600 -234.848 91.6459 103.145 107.288 -317.282 -0.857601 101.37 85.2687 -295.36 PRESSAVG: 1737600 35.0994 -37.7022 17.595 -37.7023 22.704 19.3948 17.595 19.3949 7.23802 GPRESSAVG: 1737600 35.0338 -37.6467 19.2917 -36.7765 22.1892 17.2345 17.007 21.1436 7.52095 TIMING: 1737600 CPU: 5045.17, 0.00289004/step Wall: 5045.17, 0.00289004/step, 2.61902 hours remaining, 205.363281 MB of memory in use. ENERGY: 1737600 752.5688 2051.2678 1944.2794 115.0961 -205729.9297 17411.1229 0.0000 0.0000 34326.8648 -149128.7299 299.7850 -183455.5947 -149025.4194 299.8983 -313.2578 -282.4969 559230.4862 21.6805 21.5813 PRESSURE: 1737800 -6.25345 -246.473 -143.654 -246.472 -89.8983 -35.1117 -143.654 -35.1107 93.4134 GPRESSURE: 1737800 19.8231 -230.385 -157.497 -210.315 -28.6569 -71.9265 -65.4621 -11.0127 116.914 PRESSAVG: 1737800 -6.20934 4.78762 51.6015 4.78758 15.7255 -9.94023 51.6015 -9.94016 -15.8114 GPRESSAVG: 1737800 -7.29925 6.72084 52.0661 3.88055 16.475 -8.64938 51.6074 -11.6919 -14.7708 TIMING: 1737800 CPU: 5045.75, 0.002896/step Wall: 5045.75, 0.002896/step, 2.62426 hours remaining, 205.363281 MB of memory in use. ENERGY: 1737800 734.5745 2054.5146 1946.9194 105.6587 -205965.0987 17745.5145 0.0000 0.0000 34259.8965 -149118.0206 299.2002 -183377.9170 -149019.2408 299.9625 -0.9128 36.0267 559053.4938 -2.0984 -1.8650 PRESSURE: 1738000 127.378 24.8205 -1.64165 24.8215 -208.892 -48.5966 -1.64141 -48.5967 199.303 GPRESSURE: 1738000 183.419 62.9327 -31.039 -59.7489 -213.535 -77.8875 15.158 35.3921 246.858 PRESSAVG: 1738000 22.9922 -55.1784 12.6567 -55.1785 53.7965 -12.2602 12.6568 -12.2602 -48.9549 GPRESSAVG: 1738000 23.7251 -55.7305 12.7917 -55.7313 53.0632 -11.3816 13.0283 -11.1179 -49.3878 TIMING: 1738000 CPU: 5046.33, 0.002908/step Wall: 5046.33, 0.002908/step, 2.63498 hours remaining, 205.363281 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: 1738000 721.4228 2081.9008 1949.1040 116.4142 -206318.8956 17912.1057 0.0000 0.0000 34282.1186 -149255.8295 299.3943 -183537.9481 -149155.8857 298.9644 39.2631 72.2477 558388.9266 9.2779 9.1335 PRESSURE: 1738200 -261.918 -24.8078 65.5645 -24.8084 0.0161612 91.659 65.5632 91.6584 39.5219 GPRESSURE: 1738200 -218.16 -31.0523 -81.0837 -22.1558 27.1076 51.535 114.191 83.1362 68.4557 PRESSAVG: 1738200 -19.8107 7.26167 -53.5977 7.26169 -21.0232 10.2341 -53.5977 10.2341 -16.2073 GPRESSAVG: 1738200 -20.1296 6.81726 -53.8946 7.72749 -20.1363 10.3548 -54.3257 10.0299 -16.6951 TIMING: 1738200 CPU: 5046.91, 0.00289929/step Wall: 5046.91, 0.00289929/step, 2.62692 hours remaining, 205.363281 MB of memory in use. ENERGY: 1738200 748.5330 2078.1433 1962.7147 116.6451 -206205.6846 17879.1466 0.0000 0.0000 34245.9872 -149174.5147 299.0787 -183420.5020 -149070.8640 298.7564 -74.1267 -40.8655 559603.6044 -19.0137 -18.9870 PRESSURE: 1738400 155.013 8.92304 -154.83 8.92148 -249.412 90.7065 -154.83 90.7072 -140.923 GPRESSURE: 1738400 239.614 44.0711 -204.402 40.0881 -236.572 4.91791 -130.321 122.826 -135.953 PRESSAVG: 1738400 62.4364 28.482 -15.9703 28.4821 -41.249 7.74535 -15.9703 7.74541 -17.329 GPRESSAVG: 1738400 61.5977 28.5868 -12.4828 29.1446 -41.784 6.49596 -15.062 8.11574 -15.7288 TIMING: 1738400 CPU: 5047.49, 0.00289642/step Wall: 5047.49, 0.00289642/step, 2.62416 hours remaining, 205.363281 MB of memory in use. ENERGY: 1738400 752.5050 2090.3425 1979.2391 113.4697 -206373.1590 17936.1311 0.0000 0.0000 34110.3497 -149391.1218 297.8942 -183501.4715 -149292.0434 298.6853 -78.4408 -44.3039 558807.4369 1.2862 1.3616 PRESSURE: 1738600 7.26581 -31.0205 -2.79427 -31.0206 -337.191 62.559 -2.79502 62.559 -145.682 GPRESSURE: 1738600 -6.7964 -51.7663 16.2609 -0.776907 -286.77 84.7524 -31.4489 63.3111 -93.1798 PRESSAVG: 1738600 -40.6513 -20.3295 7.65421 -20.3295 -5.05385 57.154 7.6542 57.1541 -1.44232 GPRESSAVG: 1738600 -39.8862 -21.7693 4.60578 -21.2949 -4.65494 55.2416 7.83814 57.5084 -3.1259 TIMING: 1738600 CPU: 5048.06, 0.00288218/step Wall: 5048.06, 0.00288218/step, 2.6111 hours remaining, 205.363281 MB of memory in use. ENERGY: 1738600 750.3894 2113.3071 1941.3504 132.4276 -206473.6270 17955.0111 0.0000 0.0000 34143.7443 -149437.3972 298.1858 -183581.1415 -149341.4261 298.1194 -158.5356 -128.9153 558566.7901 -15.7158 -15.8890 PRESSURE: 1738800 -99.8287 -20.8102 -146.062 -20.81 -22.2828 -44.0767 -146.062 -44.0747 -241.931 GPRESSURE: 1738800 -84.9388 53.8931 -149.373 -24.3052 17.0451 -1.69901 -165.258 -68.0481 -202.135 PRESSAVG: 1738800 -58.9393 -8.79244 -35.2802 -8.79248 63.7983 40.4268 -35.2802 40.4268 62.4021 GPRESSAVG: 1738800 -59.271 -7.81362 -33.6406 -6.46604 63.3744 38.8236 -37.5026 41.3664 63.3693 TIMING: 1738800 CPU: 5048.64, 0.00287947/step Wall: 5048.64, 0.00287947/step, 2.60848 hours remaining, 205.363281 MB of memory in use. ENERGY: 1738800 714.6951 2112.3616 1937.0941 117.7134 -206328.8929 17712.8599 0.0000 0.0000 34456.7742 -149277.3947 300.9196 -183734.1689 -149176.6062 298.9372 -121.3475 -90.0096 559054.8272 22.4204 22.4909 PRESSURE: 1739000 0.962761 9.97506 1.22167 9.97537 -106.958 15.5257 1.22207 15.5257 250.097 GPRESSURE: 1739000 46.179 38.4957 39.059 44.5299 -62.1843 1.53107 -54.5552 34.6708 269.002 PRESSAVG: 1739000 0.458455 55.6398 0.749161 55.6399 -10.6505 2.70699 0.74918 2.70704 -37.5979 GPRESSAVG: 1739000 0.527747 54.7839 0.0477792 54.6322 -10.3004 5.84717 -0.226735 0.699294 -37.78 TIMING: 1739000 CPU: 5049.22, 0.00288135/step Wall: 5049.22, 0.00288135/step, 2.61002 hours remaining, 205.363281 MB of memory in use. ENERGY: 1739000 751.1422 2089.8572 1972.6985 124.4301 -206512.0930 17959.2428 0.0000 0.0000 34297.9964 -149316.7257 299.5329 -183614.7222 -149222.3675 298.6136 48.0338 84.3323 557183.6243 -15.9300 -15.8509 PRESSURE: 1739200 184.908 68.1313 167.221 68.1303 123.789 79.4263 167.22 79.4291 -111.048 GPRESSURE: 1739200 178.063 93.7967 96.8937 44.0753 185.824 49.699 132.267 135.386 -71.0945 PRESSAVG: 1739200 45.6677 4.47026 59.7746 4.4703 -24.184 48.7614 59.7746 48.7613 6.76573 GPRESSAVG: 1739200 46.2147 6.33154 59.5637 4.23746 -24.2938 47.9433 59.7209 49.4127 6.80368 TIMING: 1739200 CPU: 5049.79, 0.00288/step Wall: 5049.79, 0.00288/step, 2.60864 hours remaining, 205.363281 MB of memory in use. ENERGY: 1739200 711.8532 2093.1693 1932.6033 118.8175 -206477.7312 17885.2645 0.0000 0.0000 34285.4277 -149450.5956 299.4232 -183736.0233 -149353.8787 298.7343 65.8831 97.5975 557459.6250 9.4165 9.5749 PRESSURE: 1739400 -260.657 -146.579 48.9483 -146.58 -66.5136 102.48 48.9483 102.48 -115.724 GPRESSURE: 1739400 -192.158 -33.4867 38.1967 -196.957 -63.4787 81.8795 86.1953 120.166 -94.4287 PRESSAVG: 1739400 -28.5533 -4.94486 65.3572 -4.94482 23.6882 48.577 65.3571 48.5771 59.5466 GPRESSAVG: 1739400 -28.279 -6.56155 63.7429 -4.62911 23.6749 49.1519 66.6409 48.8322 59.7268 TIMING: 1739400 CPU: 5050.37, 0.00287705/step Wall: 5050.37, 0.00287705/step, 2.60581 hours remaining, 205.363281 MB of memory in use. ENERGY: 1739400 728.5026 2097.5341 1985.0781 115.3096 -206104.8741 17698.0902 0.0000 0.0000 34148.2418 -149332.1178 298.2251 -183480.3596 -149247.1096 297.9922 -147.6314 -116.6886 557606.0569 18.2272 18.3743 PRESSURE: 1739600 -173.896 -86.9268 -273.413 -86.9279 46.3927 80.3276 -273.412 80.3283 -319.397 GPRESSURE: 1739600 -136.926 -47.8745 -275.737 -83.3837 43.1783 59.2947 -237.274 3.01699 -264.822 PRESSAVG: 1739600 -28.5734 -5.9583 -37.5126 -5.95834 -28.9632 19.232 -37.5126 19.2321 30.7605 GPRESSAVG: 1739600 -28.8095 -5.6174 -35.6651 -7.02704 -29.7777 18.8403 -36.0776 18.9275 31.5943 TIMING: 1739600 CPU: 5050.95, 0.00289158/step Wall: 5050.95, 0.00289158/step, 2.61881 hours remaining, 205.363281 MB of memory in use. ENERGY: 1739600 744.8402 2119.7133 1984.6961 107.3865 -206220.8298 17750.8977 0.0000 0.0000 34264.5349 -149248.7611 299.2407 -183513.2960 -149151.5283 298.4834 -148.9668 -119.5231 558630.0952 -8.9254 -8.9976 PRESSURE: 1739800 -109.319 -238.349 -4.27901 -238.349 -123.574 -38.2121 -4.2783 -38.2107 3.73555 GPRESSURE: 1739800 -100.063 -239.592 -90.7495 -244.697 -4.68532 -127.322 95.9059 14.6346 -20.2951 PRESSAVG: 1739800 3.01144 -8.58485 -11.6092 -8.58492 34.1392 -32.7611 -11.6091 -32.7611 -53.3312 GPRESSAVG: 1739800 1.42922 -7.20975 -12.529 -7.38976 35.4882 -33.5655 -13.3297 -32.1312 -53.607 TIMING: 1739800 CPU: 5051.53, 0.00289534/step Wall: 5051.53, 0.00289534/step, 2.62205 hours remaining, 205.363281 MB of memory in use. ENERGY: 1739800 735.7114 2079.7773 1978.3504 121.4021 -206316.0515 17757.3700 0.0000 0.0000 34232.2009 -149411.2395 298.9583 -183643.4404 -149315.4745 298.9203 -76.3858 -41.6811 558594.4095 -5.3935 -5.5632 PRESSURE: 1740000 -328.981 -6.79793 -181.301 -6.7988 -394.851 -122.13 -181.3 -122.13 -238.184 GPRESSURE: 1740000 -315.947 73.1494 -301.896 -91.1759 -358.986 -252.085 -115.967 -95.103 -183.723 PRESSAVG: 1740000 26.7194 -10.7508 -7.48038 -10.7508 35.0422 43.1884 -7.48037 43.1885 -60.345 GPRESSAVG: 1740000 27.8568 -10.2653 -6.35113 -10.599 34.3471 42.9703 -7.43747 43.0904 -60.6458 TIMING: 1740000 CPU: 5052.1, 0.00289679/step Wall: 5052.1, 0.00289679/step, 2.6232 hours remaining, 205.363281 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: 1740000 756.2255 2064.3921 1959.6524 106.2813 -205773.7418 17385.1536 0.0000 0.0000 34119.9914 -149382.0455 297.9784 -183502.0370 -149281.4878 298.7903 -320.6719 -286.2188 558735.5182 0.4722 0.5194 PRESSURE: 1740200 -89.6328 -156.426 -31.8859 -156.427 117.741 -66.8943 -31.8853 -66.8956 -280.005 GPRESSURE: 1740200 -92.0803 -97.9066 -6.47044 -224.156 111.068 -136.09 -26.9334 -11.4794 -184.567 PRESSAVG: 1740200 -11.3359 37.0992 -56.1609 37.0991 61.3993 -1.57579 -56.1609 -1.57569 -33.9331 GPRESSAVG: 1740200 -12.2033 34.778 -56.9805 39.1354 63.2236 0.218281 -56.8529 -2.33851 -34.8003 TIMING: 1740200 CPU: 5052.68, 0.00289332/step Wall: 5052.68, 0.00289332/step, 2.6199 hours remaining, 205.363281 MB of memory in use. ENERGY: 1740200 743.9914 2051.7073 1993.4280 120.5568 -206089.5014 17611.1060 0.0000 0.0000 34084.6848 -149484.0270 297.6700 -183568.7118 -149394.3016 298.5302 -83.9658 -55.1931 555784.7485 5.3768 5.4067 LDB: ============= START OF LOAD BALANCING ============== 5056.15 LDB: ============== END OF LOAD BALANCING =============== 5056.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5056.15 LDB: ============= START OF LOAD BALANCING ============== 5056.44 LDB: Largest compute 4821 load 0.029845 is 25.3% of average load 0.117736 LDB: Average compute 0.001731 is 1.5% of average load 0.117736 LDB: TIME 5056.44 LOAD: AVG 0.117736 MAX 0.180622 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.672 MB LDB: TIME 5056.44 LOAD: AVG 0.117736 MAX 0.180622 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.91 MB LDB: TIME 5056.44 LOAD: AVG 0.117736 MAX 0.180622 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.91 MB LDB: ============== END OF LOAD BALANCING =============== 5056.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5056.45 PRESSURE: 1740400 49.242 -20.1804 -14.7389 -20.1801 19.8278 -93.5825 -14.7387 -93.582 26.8301 GPRESSURE: 1740400 58.8456 -15.5005 -14.6461 -21.1139 79.3843 -153.057 -16.635 -60.8439 51.1207 PRESSAVG: 1740400 -82.1434 28.5424 22.2322 28.5423 55.2907 -6.63845 22.2321 -6.63851 33.7581 GPRESSAVG: 1740400 -81.3762 28.9722 22.2436 26.4219 54.167 -7.6514 22.2436 -5.59602 34.0714 TIMING: 1740400 CPU: 5053.27, 0.00295552/step Wall: 5053.27, 0.00295552/step, 2.67606 hours remaining, 205.312500 MB of memory in use. ENERGY: 1740400 723.4577 2081.4432 1951.0423 120.0560 -206528.3368 17755.3837 0.0000 0.0000 34321.3346 -149575.6193 299.7368 -183896.9539 -149476.8417 298.3164 31.9666 63.1169 556647.0228 2.3018 2.2874 PRESSURE: 1740600 214.707 30.3011 -179.696 30.3024 -80.2592 -6.15357 -179.695 -6.15327 39.8095 GPRESSURE: 1740600 176.426 -49.6701 -212.521 124.278 -18.6273 -68.108 -165.641 -53.2582 113.411 PRESSAVG: 1740600 13.9563 -4.10348 -18.3165 -4.10347 -9.99902 -52.8664 -18.3166 -52.8664 -26.5148 GPRESSAVG: 1740600 13.8966 -3.63378 -18.5149 -4.46832 -9.77121 -51.6525 -17.8359 -53.2763 -26.0702 TIMING: 1740600 CPU: 5053.85, 0.00288648/step Wall: 5053.85, 0.00288648/step, 2.61338 hours remaining, 205.382812 MB of memory in use. ENERGY: 1740600 755.2895 2096.3794 1966.3561 119.6982 -206631.2638 17966.9371 0.0000 0.0000 34132.6167 -149593.9869 298.0886 -183726.6036 -149496.6645 297.9479 58.0859 90.4034 556065.6783 -7.5192 -7.3149 PRESSURE: 1740800 -185.947 -16.4797 -15.7015 -16.48 -194.372 192.427 -15.7005 192.428 -56.1702 GPRESSURE: 1740800 -158.852 -111.022 -33.6131 -13.4964 -180.896 136.479 -36.7254 256.666 5.63346 PRESSAVG: 1740800 37.395 19.5836 -3.55992 19.5836 -22.7924 2.09551 -3.55992 2.09546 9.54639 GPRESSAVG: 1740800 37.2382 19.6686 -3.50876 18.1388 -23.1178 2.40864 -4.88237 1.88684 10.3035 TIMING: 1740800 CPU: 5054.43, 0.00287554/step Wall: 5054.43, 0.00287554/step, 2.60332 hours remaining, 205.382812 MB of memory in use. ENERGY: 1740800 767.2938 2036.4886 1960.6580 114.3941 -206386.1014 17635.5007 0.0000 0.0000 34351.4744 -149520.2919 300.0000 -183871.7663 -149422.2136 298.4092 -145.4963 -111.3714 557547.7051 8.0497 8.1413 PRESSURE: 1741000 61.4688 59.9763 96.2342 59.9765 -111.904 -92.3712 96.2354 -92.371 -192.059 GPRESSURE: 1741000 56.8219 -45.4116 36.1324 117.185 -3.69497 -19.4121 129.065 -143.073 -205.771 PRESSAVG: 1741000 -14.6297 20.2306 40.4713 20.2305 44.0855 -8.12483 40.4713 -8.12487 -18.2567 GPRESSAVG: 1741000 -14.1435 21.1309 39.0181 21.4132 42.5396 -9.06186 43.0754 -7.83807 -17.2624 TIMING: 1741000 CPU: 5055, 0.00286751/step Wall: 5055, 0.00286751/step, 2.5959 hours remaining, 205.382812 MB of memory in use. ENERGY: 1741000 764.0983 2094.7624 1974.3586 102.0047 -206288.0814 17719.7016 0.0000 0.0000 34321.5433 -149311.6126 299.7386 -183633.1559 -149220.2943 298.2450 -80.8313 -50.8813 557249.4319 3.7330 3.7112 PRESSURE: 1741200 -74.7952 142.56 -77.9034 142.559 87.9035 72.5733 -77.9034 72.574 -112.949 GPRESSURE: 1741200 -47.8256 136.93 -173.081 225.579 135.184 0.53697 -4.86533 70.2591 -85.6954 PRESSAVG: 1741200 -53.5813 55.222 2.63969 55.2221 106.177 37.7964 2.63976 37.7963 -19.106 GPRESSAVG: 1741200 -53.54 53.6899 3.23535 55.306 107.207 38.3208 1.75195 38.0195 -20.1194 TIMING: 1741200 CPU: 5055.58, 0.0028758/step Wall: 5055.58, 0.0028758/step, 2.60324 hours remaining, 205.382812 MB of memory in use. ENERGY: 1741200 769.7590 2118.9585 1959.6271 121.3612 -206196.9145 17803.6607 0.0000 0.0000 34188.6473 -149234.9006 298.5780 -183423.5479 -149143.0086 299.5463 -33.2803 0.5542 558021.0428 11.1631 11.1825 PRESSURE: 1741400 234.142 -28.4364 -45.1509 -28.4372 -1.68623 -63.0024 -45.1498 -63.0021 -128.779 GPRESSURE: 1741400 245.897 -25.8817 15.3283 -44.9861 26.3882 -21.6986 1.90073 -67.1497 -74.0556 PRESSAVG: 1741400 25.8278 15.072 22.4647 15.072 54.9143 -11.1278 22.4648 -11.1278 -99.2439 GPRESSAVG: 1741400 25.8452 14.4063 23.8444 16.1769 55.255 -11.1714 21.791 -11.5842 -99.7031 TIMING: 1741400 CPU: 5056.15, 0.00287811/step Wall: 5056.15, 0.00287811/step, 2.60517 hours remaining, 205.382812 MB of memory in use. ENERGY: 1741400 726.7616 2106.6943 1947.9390 116.2555 -206185.3832 17817.0651 0.0000 0.0000 34389.6722 -149080.9955 300.3336 -183470.6677 -148980.9525 299.5965 34.5590 66.0767 556382.4737 -6.1672 -6.2010 PRESSURE: 1741600 -119.946 25.3973 119.653 25.3966 -181.448 20.2879 119.654 20.2867 -136.764 GPRESSURE: 1741600 -64.5208 -0.220268 128.34 -21.3239 -157.035 55.6274 90.2021 -65.7462 -137.55 PRESSAVG: 1741600 39.4078 10.0299 56.604 10.0299 -25.7305 43.9475 56.604 43.9475 4.78925 GPRESSAVG: 1741600 38.2684 11.5417 56.8889 8.38123 -24.8335 41.2945 57.9086 44.9204 5.06989 TIMING: 1741600 CPU: 5056.73, 0.0028841/step Wall: 5056.73, 0.0028841/step, 2.61043 hours remaining, 205.382812 MB of memory in use. ENERGY: 1741600 734.5527 2152.1103 1952.3322 107.2487 -205770.1373 17405.3533 0.0000 0.0000 34259.6501 -149158.8901 299.1980 -183418.5402 -149061.2628 299.2440 -146.0527 -119.7022 557226.0122 6.1555 6.1682 PRESSURE: 1741800 -41.8197 -97.0783 -110 -97.0787 0.774476 -88.1482 -110.001 -88.1477 160.939 GPRESSURE: 1741800 3.76066 -54.5945 -54.3443 -39.0949 52.0994 -189.986 -111.188 35.1549 156.717 PRESSAVG: 1741800 -15.5918 -47.4264 -5.67057 -47.4263 7.3861 -1.35384 -5.67056 -1.3537 -24.5535 GPRESSAVG: 1741800 -15.7105 -47.575 -7.19928 -46.2457 6.95978 -0.249291 -7.36174 -2.33402 -24.0283 TIMING: 1741800 CPU: 5057.3, 0.00288069/step Wall: 5057.3, 0.00288069/step, 2.60718 hours remaining, 205.382812 MB of memory in use. ENERGY: 1741800 690.9407 2038.9656 1940.0825 112.8524 -205848.1762 17512.6934 0.0000 0.0000 34461.7779 -149090.8638 300.9633 -183552.6416 -148996.5961 298.6018 39.9646 70.8589 556441.1991 -10.9197 -10.9263 PRESSURE: 1742000 9.08959 72.8866 163.493 72.8856 325.61 -124.387 163.493 -124.389 44.2772 GPRESSURE: 1742000 -4.92196 139.965 264.94 25.1242 401.322 -68.0217 159.332 -176.276 79.8989 PRESSAVG: 1742000 39.9033 -61.0536 -4.02114 -61.0537 -18.1088 33.8693 -4.02112 33.8693 -40.3723 GPRESSAVG: 1742000 40.7331 -59.9679 -2.13691 -62.0043 -18.3097 34.5544 -4.22421 33.7601 -41.4216 TIMING: 1742000 CPU: 5057.88, 0.00286498/step Wall: 5057.88, 0.00286498/step, 2.5928 hours remaining, 205.421875 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: 1742000 761.9931 2160.1532 1947.8185 117.9928 -206645.0105 18094.2291 0.0000 0.0000 34300.9454 -149261.8784 299.5587 -183562.8238 -149167.3720 299.2128 126.3257 158.7662 557688.4381 -6.1926 -6.3327 PRESSURE: 1742200 -88.5164 139.856 60.3333 139.857 -295.928 33.8738 60.3342 33.873 -227.911 GPRESSURE: 1742200 -44.6308 103.462 50.3116 164.916 -228.612 -4.40154 71.5009 50.4074 -242.267 PRESSAVG: 1742200 -25.638 6.50532 39.8449 6.50531 68.5256 -6.24409 39.845 -6.24419 -42.6388 GPRESSAVG: 1742200 -25.6281 5.97573 40.694 6.27325 67.4611 -6.00134 38.8777 -5.8249 -41.2649 TIMING: 1742200 CPU: 5058.45, 0.00287902/step Wall: 5058.45, 0.00287902/step, 2.60535 hours remaining, 205.421875 MB of memory in use. ENERGY: 1742200 760.4729 2060.8044 1973.1531 120.0729 -206202.1628 17634.4993 0.0000 0.0000 34150.1985 -149502.9618 298.2422 -183653.1603 -149411.7770 299.0123 -204.1186 -171.8365 557954.6148 0.0829 0.1894 PRESSURE: 1742400 -194.499 -206.964 -142.152 -206.962 -79.1986 27.8654 -142.151 27.8655 -160.794 GPRESSURE: 1742400 -164.85 -235.294 -75.2759 -290.995 -77.1084 -21.0239 -133.848 140.482 -98.7326 PRESSAVG: 1742400 -16.7347 -7.72501 14.902 -7.72502 7.015 -4.09449 14.9019 -4.09446 15.3533 GPRESSAVG: 1742400 -16.4077 -5.96119 13.2798 -7.57925 7.28854 -3.09906 18.3721 -4.84167 15.1243 TIMING: 1742400 CPU: 5059.03, 0.0028966/step Wall: 5059.03, 0.0028966/step, 2.62111 hours remaining, 205.421875 MB of memory in use. ENERGY: 1742400 734.7734 2166.4551 1978.3402 126.9437 -206496.1601 17813.5569 0.0000 0.0000 34177.8208 -149498.2700 298.4834 -183676.0908 -149397.5100 298.7715 -144.8305 -113.5637 558566.5779 1.8779 2.0017 PRESSURE: 1742600 -53.7551 92.7106 18.7358 92.7103 -114.808 -22.8669 18.7345 -22.8678 -73.1063 GPRESSURE: 1742600 -14.99 63.7572 83.642 104.794 -118.531 -90.7393 54.3 35.3293 -13.5623 PRESSAVG: 1742600 4.25516 -28.7829 23.0118 -28.7829 20.3576 14.341 23.0117 14.3409 -41.3572 GPRESSAVG: 1742600 4.77806 -31.831 22.6667 -26.7464 21.0147 13.4332 21.7027 15.9394 -42.6738 TIMING: 1742600 CPU: 5059.61, 0.0028925/step Wall: 5059.61, 0.0028925/step, 2.61723 hours remaining, 205.421875 MB of memory in use. ENERGY: 1742600 761.3847 2072.2426 1973.9163 110.7034 -206380.8548 17671.7564 0.0000 0.0000 34230.7430 -149560.1082 298.9456 -183790.8513 -149466.3010 298.4625 -80.5565 -49.0277 557721.8451 -5.5815 -5.6270 PRESSURE: 1742800 -154.04 -107.358 -36.9179 -107.358 290.745 169.538 -36.9185 169.539 -14.193 GPRESSURE: 1742800 -131.419 -65.8657 -123.601 -153.092 305.068 226.139 7.2991 110.518 50.266 PRESSAVG: 1742800 12.3411 -23.7669 37.2834 -23.7669 43.1814 2.01131 37.2835 2.01132 -10.5626 GPRESSAVG: 1742800 11.9262 -22.3344 36.7163 -25.7306 41.5604 3.22655 35.9415 0.106939 -8.82442 TIMING: 1742800 CPU: 5060.19, 0.00288768/step Wall: 5060.19, 0.00288768/step, 2.61271 hours remaining, 205.558594 MB of memory in use. ENERGY: 1742800 775.6155 2097.7261 1925.5700 106.7026 -206374.9909 17733.2308 0.0000 0.0000 34258.2142 -149477.9317 299.1855 -183736.1459 -149392.5846 298.5029 40.8374 74.6386 555206.0412 14.9866 14.8874 PRESSURE: 1743000 103.889 -92.6367 8.63276 -92.6363 164.03 51.6982 8.63208 51.6975 -98.7166 GPRESSURE: 1743000 202.808 -115.832 127.445 -40.7202 132.178 44.0474 -37.3921 7.71453 -48.3506 PRESSAVG: 1743000 -82.1087 -35.8941 -7.91394 -35.8941 64.1118 -48.5822 -7.91388 -48.5823 -4.19003 GPRESSAVG: 1743000 -80.6093 -37.6293 -6.59769 -34.3739 65.017 -50.3818 -6.64006 -47.0984 -5.95092 TIMING: 1743000 CPU: 5060.77, 0.00289285/step Wall: 5060.77, 0.00289285/step, 2.61723 hours remaining, 205.558594 MB of memory in use. ENERGY: 1743000 759.2989 2119.7830 1959.2267 110.2866 -206485.7981 17935.6935 0.0000 0.0000 34063.2275 -149538.2820 297.4826 -183601.5095 -149438.2923 298.0617 56.4007 95.5454 556226.5300 -7.3956 -7.1811 PRESSURE: 1743200 -216.148 -154.62 -213.047 -154.621 -116.327 -128.548 -213.047 -128.55 -31.7891 GPRESSURE: 1743200 -176.903 -119.372 -200.718 -65.9014 -32.2488 -114.251 -204.103 -90.0459 -56.7972 PRESSAVG: 1743200 -14.7502 60.6965 -10.3624 60.6965 8.74097 -71.9744 -10.3624 -71.9744 -26.1962 GPRESSAVG: 1743200 -15.7153 62.4168 -12.0728 60.3079 8.51071 -70.6275 -8.53039 -72.9412 -25.6468 TIMING: 1743200 CPU: 5061.35, 0.00289169/step Wall: 5061.35, 0.00289169/step, 2.61602 hours remaining, 205.558594 MB of memory in use. ENERGY: 1743200 780.3126 2034.1165 1992.2589 111.4413 -206518.7985 17734.1681 0.0000 0.0000 34267.8301 -149598.6710 299.2695 -183866.5011 -149493.1613 298.1556 -121.4214 -88.6497 557253.3913 -10.7351 -10.9505 PRESSURE: 1743400 -138.337 -53.7288 -97.5834 -53.7268 45.5438 -123.283 -97.5838 -123.283 116.763 GPRESSURE: 1743400 -70.5443 -80.0572 -63.0153 -19.7804 52.8999 -69.8053 -52.7228 -84.496 126.85 PRESSAVG: 1743400 -46.1023 -4.13376 -22.025 -4.13386 4.99533 -16.995 -22.0249 -16.9951 41.9268 GPRESSAVG: 1743400 -46.7748 -5.6126 -22.8377 -4.80186 5.80962 -17.6999 -23.8679 -17.1667 41.9561 TIMING: 1743400 CPU: 5061.92, 0.00288817/step Wall: 5061.92, 0.00288817/step, 2.61267 hours remaining, 205.558594 MB of memory in use. ENERGY: 1743400 788.4295 2028.4298 1963.2135 130.8236 -206494.0473 17800.3884 0.0000 0.0000 34099.8222 -149682.9402 297.8022 -183782.7624 -149580.8266 298.5234 7.9899 36.4019 554769.0927 0.2733 0.3303 PRESSURE: 1743600 57.4851 90.8732 121.143 90.8745 -23.2832 27.7997 121.143 27.8004 -86.1944 GPRESSURE: 1743600 95.4071 99.5089 13.3672 -2.34679 16.9289 -7.2371 145.041 61.7606 -78.2948 PRESSAVG: 1743600 -27.2983 -8.35535 31.7319 -8.35525 36.2967 42.7858 31.7319 42.7858 5.36282 GPRESSAVG: 1743600 -26.2406 -6.16836 34.6552 -8.02457 35.7423 40.7181 31.4987 45.0315 5.11031 TIMING: 1743600 CPU: 5062.5, 0.00288904/step Wall: 5062.5, 0.00288904/step, 2.6133 hours remaining, 205.558594 MB of memory in use. ENERGY: 1743600 751.0947 2102.4672 1950.5845 117.4314 -206492.0180 17875.2434 0.0000 0.0000 34082.9700 -149612.2269 297.6551 -183695.1969 -149511.2640 298.3224 -17.3308 11.3471 557092.0110 4.7871 4.8707 PRESSURE: 1743800 -119.136 -30.3072 135.432 -30.3069 -126.24 -10.2967 135.431 -10.2974 -530.959 GPRESSURE: 1743800 -89.1303 15.3636 41.7391 -95.1171 -83.6595 20.0289 107.297 -44.2606 -506.419 PRESSAVG: 1743800 7.66157 -1.70517 4.62929 -1.7052 -32.9109 68.2913 4.62931 68.2913 10.212 GPRESSAVG: 1743800 7.07315 -3.22342 2.44295 -1.68857 -34.1495 67.6123 4.51585 68.6369 11.4469 TIMING: 1743800 CPU: 5063.08, 0.00290176/step Wall: 5063.08, 0.00290176/step, 2.62464 hours remaining, 205.558594 MB of memory in use. ENERGY: 1743800 758.4193 2200.0406 1974.3876 117.5452 -206650.0127 17614.9841 0.0000 0.0000 34190.7882 -149793.8477 298.5967 -183984.6360 -149693.9957 297.7582 -258.7785 -226.4028 554337.1714 -5.0124 -5.2098 PRESSURE: 1744000 122.079 -62.7894 35.5536 -62.7893 -113.979 83.238 35.5523 83.2377 -144.283 GPRESSURE: 1744000 62.3203 -37.8288 109.355 -77.9562 -26.0153 52.5536 19.1446 149.691 -69.93 PRESSAVG: 1744000 -21.0035 -30.5722 41.8671 -30.5722 44.8852 62.8511 41.8671 62.851 2.68268 GPRESSAVG: 1744000 -20.6692 -28.6405 43.5367 -32.1241 44.7332 65.3513 41.4712 59.761 2.11669 TIMING: 1744000 CPU: 5063.66, 0.0028966/step Wall: 5063.66, 0.0028966/step, 2.61982 hours remaining, 205.558594 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: 1744000 743.8936 2110.2706 1966.6369 114.5389 -206612.1437 17698.5040 0.0000 0.0000 34096.1647 -149882.1350 297.7703 -183978.2997 -149782.0258 297.9804 -45.3945 -11.2083 555202.9027 8.8548 8.7269 PRESSURE: 1744200 -384.717 -95.3086 -228.235 -95.3089 203.315 -80.0376 -228.234 -80.0365 117.053 GPRESSURE: 1744200 -268.474 -48.2169 -171.844 -8.46065 214.73 -54.0983 -214.866 -70.9415 87.861 PRESSAVG: 1744200 -30.2523 -1.22278 2.80656 -1.22274 75.1689 73.9715 2.80658 73.9715 -34.931 GPRESSAVG: 1744200 -29.6291 -1.98413 -0.348418 -0.0374659 74.5992 72.6984 5.98867 76.0278 -35.0639 TIMING: 1744200 CPU: 5064.24, 0.00290092/step Wall: 5064.24, 0.00290092/step, 2.62356 hours remaining, 205.558594 MB of memory in use. ENERGY: 1744200 734.5895 2088.0838 1989.3301 122.9074 -206744.1804 17872.5678 0.0000 0.0000 34155.0303 -149781.6714 298.2844 -183936.7017 -149688.9025 297.7499 -21.4495 11.3722 555894.8307 3.3286 3.3021 LDB: ============= START OF LOAD BALANCING ============== 5067.71 LDB: ============== END OF LOAD BALANCING =============== 5067.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5067.71 LDB: ============= START OF LOAD BALANCING ============== 5068 LDB: Largest compute 4821 load 0.030253 is 25.7% of average load 0.117662 LDB: Average compute 0.001730 is 1.5% of average load 0.117662 LDB: TIME 5068 LOAD: AVG 0.117662 MAX 0.177865 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 5068 LOAD: AVG 0.117662 MAX 0.177865 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: TIME 5068 LOAD: AVG 0.117662 MAX 0.177865 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5068 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5068.01 PRESSURE: 1744400 -183.296 112.837 -1.75013 112.836 13.3279 -9.53177 -1.75032 -9.52977 118.766 GPRESSURE: 1744400 -140.77 168.584 -26.4927 94.4136 63.5366 -67.4257 52.1206 -4.04881 123.556 PRESSAVG: 1744400 -74.42 -9.76547 -29.7959 -9.76546 9.16327 57.2164 -29.7958 57.2164 38.2831 GPRESSAVG: 1744400 -75.1154 -9.83361 -26.6107 -9.22758 10.9746 59.1175 -33.4292 56.8484 37.4999 TIMING: 1744400 CPU: 5064.83, 0.00295657/step Wall: 5064.83, 0.00295657/step, 2.67373 hours remaining, 206.644531 MB of memory in use. ENERGY: 1744400 729.8281 2078.7336 1974.9444 110.7641 -206720.0336 17932.9239 0.0000 0.0000 34120.9560 -149771.8836 297.9868 -183892.8395 -149679.1756 298.2961 -17.0672 15.4408 555796.4642 -8.9912 -8.8803 PRESSURE: 1744600 59.6144 227.492 -53.5169 227.492 -194.761 47.6837 -53.5181 47.6858 148.326 GPRESSURE: 1744600 83.4381 269.181 -65.0838 124.179 -160.87 53.7649 21.92 49.1361 189.765 PRESSAVG: 1744600 -0.636846 73.6064 -17.4686 73.6064 12.3811 26.8054 -17.4686 26.8054 -41.8989 GPRESSAVG: 1744600 0.787486 73.1717 -17.1036 72.7953 11.0096 27.6015 -15.7428 26.3518 -41.76 TIMING: 1744600 CPU: 5065.41, 0.00288438/step Wall: 5065.41, 0.00288438/step, 2.60828 hours remaining, 206.992188 MB of memory in use. ENERGY: 1744600 722.8569 2095.7175 1976.1574 115.1126 -206651.3841 17847.9129 0.0000 0.0000 34096.6304 -149796.9965 297.7744 -183893.6269 -149699.2464 298.1210 4.3931 37.4445 557423.7130 -10.0515 -9.9877 PRESSURE: 1744800 -231.036 -21.4591 -132.628 -21.4578 97.4706 76.7191 -132.628 76.718 -32.4325 GPRESSURE: 1744800 -181.792 -33.6454 -6.28004 1.05226 76.1271 45.4386 -155.93 148.121 28.8288 PRESSAVG: 1744800 15.2332 70.5144 -8.35502 70.5144 -22.2894 71.7044 -8.35504 71.7045 23.4316 GPRESSAVG: 1744800 13.7154 70.1004 -8.29486 71.3866 -21.2965 69.9197 -7.9783 72.5564 24.0938 TIMING: 1744800 CPU: 5065.99, 0.00290386/step Wall: 5065.99, 0.00290386/step, 2.62573 hours remaining, 206.992188 MB of memory in use. ENERGY: 1744800 683.3734 2069.9800 1962.4849 115.9032 -206447.8273 17747.0533 0.0000 0.0000 34271.6869 -149597.3456 299.3032 -183869.0325 -149504.3048 297.7736 -55.3324 -25.6121 556912.6515 5.4584 5.5042 PRESSURE: 1745000 -182.501 29.7282 34.8206 29.729 246.217 -190.006 34.8203 -190.007 -66.0552 GPRESSURE: 1745000 -137.746 90.6301 -52.2113 -19.2414 219.265 -177.527 80.573 -104.079 17.7338 PRESSAVG: 1745000 -50.7213 58.6571 48.7592 58.6571 47.4136 15.0368 48.7593 15.0369 5.49291 GPRESSAVG: 1745000 -50.2754 59.8798 47.9201 57.3309 47.437 14.7964 47.6123 16.3111 5.3655 TIMING: 1745000 CPU: 5066.56, 0.00287036/step Wall: 5066.56, 0.00287036/step, 2.59528 hours remaining, 207.050781 MB of memory in use. ENERGY: 1745000 724.9146 2044.4378 1954.9709 114.5156 -206558.7922 17953.0912 0.0000 0.0000 34177.7041 -149589.1579 298.4824 -183766.8621 -149491.4347 297.8890 -0.7800 33.0845 557935.0196 0.7284 0.8424 PRESSURE: 1745200 130.193 -48.598 64.516 -48.5972 55.4783 82.059 64.5171 82.0601 -27.3671 GPRESSURE: 1745200 168.81 15.2278 96.9914 -85.2311 52.7699 115.577 131.54 69.0769 33.8448 PRESSAVG: 1745200 -30.0198 42.8466 58.2494 42.8465 25.3359 -5.57844 58.2495 -5.57853 1.67369 GPRESSAVG: 1745200 -30.2953 42.7006 57.3141 42.0318 25.165 -3.25633 59.3713 -6.39457 1.76504 TIMING: 1745200 CPU: 5067.14, 0.00288752/step Wall: 5067.14, 0.00288752/step, 2.61064 hours remaining, 207.121094 MB of memory in use. ENERGY: 1745200 730.5351 2119.5780 1932.1350 104.0041 -206371.5197 17863.6302 0.0000 0.0000 34132.2425 -149489.3948 298.0854 -183621.6373 -149390.7635 297.7529 52.7679 85.1414 556976.7334 -1.0034 -1.1218 PRESSURE: 1745400 124.277 -2.37199 92.5621 -2.37195 255.219 49.7998 92.5615 49.8 -29.642 GPRESSURE: 1745400 181.201 48.6904 103.587 -34.5225 324.631 30.8007 60.8278 90.9379 -62.1621 PRESSAVG: 1745400 -65.6155 6.19732 84.7841 6.1973 2.49486 -55.5897 84.7841 -55.5896 31.8227 GPRESSAVG: 1745400 -66.1268 6.85593 85.0016 6.6809 3.30389 -58.7968 84.0622 -54.9273 31.5749 TIMING: 1745400 CPU: 5067.72, 0.00287418/step Wall: 5067.72, 0.00287418/step, 2.59842 hours remaining, 207.121094 MB of memory in use. ENERGY: 1745400 747.4869 2121.8433 1958.3895 104.7919 -206345.5700 17955.8890 0.0000 0.0000 33978.4606 -149478.7087 296.7423 -183457.1693 -149383.2818 298.0265 116.6181 147.8898 557682.8214 -10.4326 -10.4160 PRESSURE: 1745600 -70.8854 58.8635 -27.7046 58.8646 213.468 137.895 -27.7044 137.895 -82.9389 GPRESSURE: 1745600 -9.2107 34.2045 -9.32851 59.4922 251.927 115.13 -8.03343 122.574 -90.8695 PRESSAVG: 1745600 25.057 69.2923 10.9323 69.2923 14.7367 6.1719 10.9322 6.17198 -5.1478 GPRESSAVG: 1745600 24.6248 68.8394 11.5345 70.1753 14.3185 7.95581 10.8277 4.78138 -5.20679 TIMING: 1745600 CPU: 5068.3, 0.0029048/step Wall: 5068.3, 0.0029048/step, 2.62594 hours remaining, 207.121094 MB of memory in use. ENERGY: 1745600 730.8852 2033.7220 1988.1763 123.8430 -206420.0344 17822.1881 0.0000 0.0000 34412.8770 -149308.3428 300.5362 -183721.2198 -149209.7031 299.1975 19.8813 50.6157 557908.0323 11.5486 11.2455 PRESSURE: 1745800 -124.564 -32.0598 112.922 -32.06 129.609 -54.9027 112.923 -54.9024 120.924 GPRESSURE: 1745800 -136.467 45.2001 149.318 -116.586 177.808 55.9221 149.929 -100.734 182.534 PRESSAVG: 1745800 -86.7874 40.0825 31.0686 40.0824 58.8154 59.7192 31.0685 59.7192 -3.87616 GPRESSAVG: 1745800 -85.9018 41.2338 29.9754 40.2002 58.4031 57.5755 32.5088 61.5754 -4.30669 TIMING: 1745800 CPU: 5068.88, 0.00289977/step Wall: 5068.88, 0.00289977/step, 2.62123 hours remaining, 207.121094 MB of memory in use. ENERGY: 1745800 771.4146 2040.3372 1966.4733 106.9307 -206678.0466 18000.4378 0.0000 0.0000 34192.4304 -149600.0226 298.6110 -183792.4530 -149496.5623 298.8620 41.9898 74.6252 557699.4809 -10.6161 -10.6018 PRESSURE: 1746000 51.3148 -166.77 105.879 -166.77 -224.885 -10.2082 105.878 -10.2084 16.9595 GPRESSURE: 1746000 69.1042 -140.739 112.983 -124.501 -143.669 -28.1065 109.108 -72.4114 25.4278 PRESSAVG: 1746000 3.59635 -1.34238 64.2922 -1.34238 -19.1329 -8.30784 64.2921 -8.30777 43.1915 GPRESSAVG: 1746000 3.04847 -4.77135 64.8874 -0.0669139 -19.327 -5.38546 62.5016 -11.2723 44.1901 TIMING: 1746000 CPU: 5069.45, 0.00289133/step Wall: 5069.45, 0.00289133/step, 2.61344 hours remaining, 207.121094 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: 1746000 723.6610 2054.1055 1960.5457 105.9747 -206688.0888 17882.3645 0.0000 0.0000 34286.7877 -149674.6497 299.4350 -183961.4374 -149584.0415 297.9506 -52.2035 -16.3789 557963.7454 9.2183 9.3039 PRESSURE: 1746200 82.5822 109.183 28.3117 109.183 -174.604 124.125 28.3099 124.125 168.441 GPRESSURE: 1746200 108.89 50.328 25.1404 167.546 -119.585 139.531 60.7405 106.527 179.194 PRESSAVG: 1746200 -43.2583 -54.3847 -27.1315 -54.3848 13.1761 -17.8974 -27.1316 -17.8972 -0.889492 GPRESSAVG: 1746200 -42.9298 -54.6145 -26.9639 -55.0919 14.2141 -20.3313 -25.8669 -16.1078 -2.59328 TIMING: 1746200 CPU: 5070.03, 0.00288601/step Wall: 5070.03, 0.00288601/step, 2.60847 hours remaining, 207.121094 MB of memory in use. ENERGY: 1746200 737.4843 2134.7766 1962.0035 109.0758 -206356.7342 17839.8823 0.0000 0.0000 34073.7062 -149499.8057 297.5742 -183573.5119 -149395.9095 298.0585 25.4733 56.1664 557721.8111 -10.3239 -10.4363 PRESSURE: 1746400 -119.09 13.541 77.7068 13.5427 -30.88 -74.5094 77.708 -74.5106 -290.187 GPRESSURE: 1746400 -167.593 57.1252 11.1263 12.4059 11.8124 -77.9416 127.023 -15.3866 -186.524 PRESSAVG: 1746400 -29.9592 0.0272314 -18.9275 0.0272564 39.588 18.4514 -18.9275 18.4513 -4.21134 GPRESSAVG: 1746400 -30.4807 2.20014 -19.5162 -2.57214 39.2805 19.6995 -18.0923 17.8767 -3.37585 TIMING: 1746400 CPU: 5070.61, 0.00287421/step Wall: 5070.61, 0.00287421/step, 2.59765 hours remaining, 207.121094 MB of memory in use. ENERGY: 1746400 734.7760 2062.8466 1960.0187 122.3265 -206082.3074 17684.2473 0.0000 0.0000 34121.0608 -149397.0316 297.9877 -183518.0923 -149287.1233 298.0403 -146.7187 -114.1017 558884.5734 1.8058 1.8080 PRESSURE: 1746600 258.65 -130.194 -31.333 -130.195 294.284 -96.0399 -31.3324 -96.0394 36.0937 GPRESSURE: 1746600 284.654 -99.6581 -49.8231 -120.115 315.027 -126.763 22.8968 4.39095 81.3062 PRESSAVG: 1746600 -26.4339 23.7329 -19.6886 23.7329 22.8626 13.9149 -19.6886 13.9148 -31.16 GPRESSAVG: 1746600 -25.5305 23.0005 -17.0288 25.3454 23.1702 12.487 -24.0853 14.2269 -31.6232 TIMING: 1746600 CPU: 5071.18, 0.00288768/step Wall: 5071.18, 0.00288768/step, 2.60966 hours remaining, 207.121094 MB of memory in use. ENERGY: 1746600 704.8323 2078.1222 1950.4648 99.4971 -206326.7392 17976.9197 0.0000 0.0000 34159.9036 -149356.9994 298.3269 -183516.9031 -149258.5708 298.0379 196.3426 226.9957 556430.6782 -11.5771 -11.3278 PRESSURE: 1746800 -301.095 -104.078 61.4426 -104.078 96.3015 154.762 61.4426 154.763 116.518 GPRESSURE: 1746800 -250.072 -164.944 -0.944882 -39.0876 125.248 185.699 55.8375 59.3186 127.527 PRESSAVG: 1746800 54.9926 -18.755 -30.1195 -18.755 -57.2286 37.368 -30.1194 37.368 24.0028 GPRESSAVG: 1746800 53.9811 -18.6579 -32.6308 -18.0664 -57.3257 38.6073 -28.307 36.3904 24.3569 TIMING: 1746800 CPU: 5071.76, 0.00288448/step Wall: 5071.76, 0.00288448/step, 2.60661 hours remaining, 207.121094 MB of memory in use. ENERGY: 1746800 734.6210 2161.4370 1942.8309 115.6591 -206211.1323 17778.1985 0.0000 0.0000 34314.0200 -149164.3657 299.6729 -183478.3857 -149069.9371 298.9503 -29.4250 0.9010 557697.7523 7.2556 7.0041 PRESSURE: 1747000 135.508 297.805 -120.284 297.805 24.3313 103.723 -120.282 103.721 85.8754 GPRESSURE: 1747000 157.745 328.048 -148.85 287.808 76.1949 165.089 -183.101 99.7327 119.062 PRESSAVG: 1747000 8.73769 -9.30031 -39.2852 -9.30027 -35.2518 48.9625 -39.2853 48.9626 12.9556 GPRESSAVG: 1747000 9.51885 -10.5338 -40.4526 -7.36709 -35.3461 49.4295 -37.5305 48.4078 12.0645 TIMING: 1747000 CPU: 5072.34, 0.00287724/step Wall: 5072.34, 0.00287724/step, 2.5999 hours remaining, 207.121094 MB of memory in use. ENERGY: 1747000 742.5032 2071.3490 1936.8079 119.3371 -206208.9674 18026.8690 0.0000 0.0000 34220.4673 -149091.6339 298.8559 -183312.1012 -148996.8613 299.4500 81.9047 117.6673 557724.8689 -4.5195 -4.5876 PRESSURE: 1747200 -302.796 127.689 -31.9714 127.689 -69.0871 6.70324 -31.9713 6.70314 -196.455 GPRESSURE: 1747200 -265.824 45.8714 -35.1462 143.326 28.4726 -25.5984 -7.32639 44.8433 -234.305 PRESSAVG: 1747200 -43.3941 9.05303 3.22416 9.05306 21.2094 -0.708366 3.22404 -0.708328 -1.16838 GPRESSAVG: 1747200 -44.4172 9.96371 4.65119 5.30523 21.6013 0.275336 1.7433 -1.34179 0.111287 TIMING: 1747200 CPU: 5072.91, 0.00288456/step Wall: 5072.91, 0.00288456/step, 2.60636 hours remaining, 207.121094 MB of memory in use. ENERGY: 1747200 744.3310 2068.4190 1986.2388 113.7492 -206230.4177 17767.7480 0.0000 0.0000 34425.8782 -149124.0536 300.6498 -183549.9318 -149027.1372 299.2214 -189.4460 -157.2185 560099.9668 -7.7844 -7.5682 PRESSURE: 1747400 72.6937 0.674179 32.5471 0.673792 73.8413 -5.741 32.5475 -5.74215 -66.4318 GPRESSURE: 1747400 140.487 44.24 -73.4464 -52.2859 41.1529 40.9584 121.35 -61.952 -7.88773 PRESSAVG: 1747400 -19.1732 -15.7125 -41.5561 -15.7126 16.7707 -5.3679 -41.5562 -5.3679 3.5847 GPRESSAVG: 1747400 -18.2895 -15.7362 -42.1385 -14.6272 16.1366 -5.40562 -41.5535 -5.7905 3.88446 TIMING: 1747400 CPU: 5073.49, 0.00287534/step Wall: 5073.49, 0.00287534/step, 2.59787 hours remaining, 207.121094 MB of memory in use. ENERGY: 1747400 752.0248 2088.2955 1956.3124 132.0975 -206214.2559 18044.7636 0.0000 0.0000 34082.6115 -149158.1505 297.6519 -183240.7620 -149063.4785 299.3015 26.7011 57.9174 558921.0057 0.3941 0.5772 PRESSURE: 1747600 351.888 -99.6365 -20.5528 -99.6363 -105.619 -90.1533 -20.5518 -90.1541 131.245 GPRESSURE: 1747600 360.945 -154.783 -52.0242 -132.683 -74.3384 -114.156 6.07587 8.62922 177.838 PRESSAVG: 1747600 36.8685 -40.3347 -25.7141 -40.3347 1.84139 -54.7899 -25.7143 -54.7898 -37.5092 GPRESSAVG: 1747600 37.0893 -39.4528 -25.6052 -40.8524 1.20854 -55.6324 -25.4138 -54.1333 -37.4695 TIMING: 1747600 CPU: 5074.06, 0.00287373/step Wall: 5074.06, 0.00287373/step, 2.59626 hours remaining, 207.121094 MB of memory in use. ENERGY: 1747600 750.6056 2109.5570 1976.9823 102.4401 -206403.0964 18053.2453 0.0000 0.0000 34258.3830 -149151.8831 299.1870 -183410.2661 -149051.7255 299.5679 125.8377 154.8150 558154.5403 0.4002 0.2761 PRESSURE: 1747800 252.028 78.2135 -28.2807 78.2136 -23.5312 190.448 -28.2802 190.45 136.619 GPRESSURE: 1747800 278.682 127.495 -28.9264 38.6493 22.1967 162.378 7.40192 152.829 160.748 PRESSAVG: 1747800 21.4838 2.5988 9.31951 2.59878 -18.793 -21.6654 9.3195 -21.6654 5.33499 GPRESSAVG: 1747800 20.622 1.9279 9.61892 2.80268 -18.1605 -21.8719 9.33145 -18.8391 5.33351 TIMING: 1747800 CPU: 5074.63, 0.00284858/step Wall: 5074.63, 0.00284858/step, 2.57338 hours remaining, 207.121094 MB of memory in use. ENERGY: 1747800 764.5069 2120.2678 1949.4256 99.3859 -206356.2663 18004.0071 0.0000 0.0000 34220.8935 -149197.7795 298.8596 -183418.6730 -149103.2542 299.1351 121.7054 153.8755 557807.4464 2.6753 2.5983 PRESSURE: 1748000 27.9677 -152.773 -76.0778 -152.773 -44.1304 -90.5723 -76.0772 -90.5707 102.831 GPRESSURE: 1748000 27.1007 -183.053 27.3499 -76.2203 -26.9533 -91.7249 -64.9191 -89.9079 173.811 PRESSAVG: 1748000 -13.8639 -25.1874 11.1982 -25.1873 -53.1909 34.2559 11.1982 34.256 44.9001 GPRESSAVG: 1748000 -12.9381 -26.6319 11.4932 -25.6018 -52.7391 34.2674 10.5594 33.3021 43.8443 TIMING: 1748000 CPU: 5075.21, 0.00287159/step Wall: 5075.21, 0.00287159/step, 2.594 hours remaining, 207.121094 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: 1748000 727.9730 2125.0989 1957.0314 117.7427 -206432.5304 18016.4665 0.0000 0.0000 34422.1949 -149066.0230 300.6176 -183488.2179 -148969.6125 299.6733 28.8893 57.9862 558017.4196 -7.3849 -7.2776 PRESSURE: 1748200 76.6684 -33.044 135.715 -33.0443 -54.2214 -32.0084 135.716 -32.0071 -6.9147 GPRESSURE: 1748200 116.691 -22.157 160.914 -36.9084 28.3158 -95.8524 117.568 20.0654 -29.6685 PRESSAVG: 1748200 -56.3336 -14.3836 -24.744 -14.3835 28.8596 13.7122 -24.744 13.7121 16.5558 GPRESSAVG: 1748200 -57.2822 -12.3424 -26.1902 -15.1224 29.5259 13.4617 -23.4775 11.0052 16.695 TIMING: 1748200 CPU: 5075.78, 0.00287752/step Wall: 5075.78, 0.00287752/step, 2.5992 hours remaining, 207.121094 MB of memory in use. ENERGY: 1748200 771.3498 2078.9761 1975.0323 120.3843 -206032.5825 17843.7388 0.0000 0.0000 34264.5621 -148978.5391 299.2409 -183243.1013 -148882.9263 299.3290 5.1774 38.4462 558587.4517 -3.6394 -3.6871 LDB: ============= START OF LOAD BALANCING ============== 5079.25 LDB: ============== END OF LOAD BALANCING =============== 5079.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5079.25 LDB: ============= START OF LOAD BALANCING ============== 5079.54 LDB: Largest compute 4821 load 0.029703 is 25.2% of average load 0.117660 LDB: Average compute 0.001724 is 1.5% of average load 0.117660 LDB: TIME 5079.54 LOAD: AVG 0.11766 MAX 0.178735 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 5079.55 LOAD: AVG 0.11766 MAX 0.178735 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: TIME 5079.55 LOAD: AVG 0.11766 MAX 0.178735 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5079.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5079.55 PRESSURE: 1748400 -244.11 76.3212 -12.942 76.3215 19.6147 -66.7956 -12.9419 -66.795 -46.7046 GPRESSURE: 1748400 -220.205 13.9809 -5.05247 132.605 73.7991 -90.8073 30.55 -131.683 -23.0046 PRESSAVG: 1748400 -29.2316 -39.3837 10.3 -39.3837 56.0169 5.35429 10.3001 5.35441 -53.4747 GPRESSAVG: 1748400 -28.4488 -40.5141 12.004 -38.4436 55.2009 5.19213 11.5685 8.42972 -53.3053 TIMING: 1748400 CPU: 5076.38, 0.00296501/step Wall: 5076.38, 0.00296501/step, 2.67807 hours remaining, 207.218750 MB of memory in use. ENERGY: 1748400 744.8432 2094.8509 1960.1180 127.2356 -205692.5339 17557.1572 0.0000 0.0000 34343.0759 -148865.2531 299.9266 -183208.3290 -148778.6086 299.4279 -90.4001 -56.4703 558646.0688 -8.8965 -8.8511 PRESSURE: 1748600 -27.7585 63.8303 207.439 63.8306 -307.906 100.093 207.438 100.094 -209.156 GPRESSURE: 1748600 -23.9013 103.894 176.264 16.8835 -277.501 162.015 203.16 47.3247 -152.567 PRESSAVG: 1748600 56.5987 -19.9821 20.8524 -19.9821 -9.27506 10.0391 20.8523 10.0391 -18.0397 GPRESSAVG: 1748600 56.0478 -20.4303 18.1387 -20.6857 -9.01819 9.32025 20.5115 8.85013 -17.8177 TIMING: 1748600 CPU: 5076.95, 0.00289241/step Wall: 5076.95, 0.00289241/step, 2.61233 hours remaining, 207.421875 MB of memory in use. ENERGY: 1748600 717.4070 2087.8834 1983.2542 123.0503 -205502.9835 17383.7525 0.0000 0.0000 34356.8495 -148850.7866 300.0469 -183207.6361 -148753.8705 300.3389 -181.6066 -151.3232 558706.4633 9.7613 9.7373 PRESSURE: 1748800 253.915 5.61391 85.7373 5.61428 -207.697 -47.7814 85.7358 -47.7812 -102.526 GPRESSURE: 1748800 247.148 0.507126 72.6087 -32.8276 -166.329 -95.9891 126.745 -67.1638 -44.3539 PRESSAVG: 1748800 94.7204 -1.17653 -0.493232 -1.17661 -54.0015 -23.5407 -0.493233 -23.5407 -27.2151 GPRESSAVG: 1748800 95.3599 -0.747982 2.66589 -1.7425 -53.0652 -24.5845 -3.11241 -22.5379 -29.0501 TIMING: 1748800 CPU: 5077.53, 0.00289118/step Wall: 5077.53, 0.00289118/step, 2.61105 hours remaining, 207.421875 MB of memory in use. ENERGY: 1748800 776.5193 2098.9385 1951.1993 114.5427 -205731.8144 17681.5058 0.0000 0.0000 34354.0450 -148755.0638 300.0224 -183109.1087 -148664.2048 300.5033 -18.7692 12.1551 557369.5126 4.5013 4.4149 PRESSURE: 1749000 -15.8961 43.3644 99.3379 43.3642 -258.212 43.667 99.3394 43.6668 -4.46062 GPRESSURE: 1749000 42.8755 47.7134 151.695 0.816951 -303.51 46.4644 -23.5374 -4.53618 65.9951 PRESSAVG: 1749000 36.0213 28.3174 8.84923 28.3173 -17.0677 -0.996483 8.84923 -0.996515 -24.0803 GPRESSAVG: 1749000 35.7697 27.0548 6.09147 30.1929 -18.0725 2.72758 12.1219 -1.81793 -23.1362 TIMING: 1749000 CPU: 5078.11, 0.00287803/step Wall: 5078.11, 0.00287803/step, 2.59902 hours remaining, 207.421875 MB of memory in use. ENERGY: 1749000 752.4136 2084.6956 1976.3976 114.5043 -205674.9717 17578.4140 0.0000 0.0000 34395.1234 -148773.4233 300.3812 -183168.5466 -148672.2260 301.1971 -92.8563 -64.8798 556895.7940 -1.7089 -1.8130 PRESSURE: 1749200 137.069 183.294 -66.8645 183.296 204.978 42.4214 -66.8638 42.4231 11.2827 GPRESSURE: 1749200 149.489 170.232 -23.8277 176.956 242.707 120.519 -36.4637 20.396 56.977 PRESSAVG: 1749200 30.7393 36.6909 21.997 36.6909 -2.45233 -6.94357 21.997 -6.94355 -31.2062 GPRESSAVG: 1749200 29.3515 38.4746 24.2018 35.6604 -1.97348 -7.10287 20.1465 -6.48726 -30.5595 TIMING: 1749200 CPU: 5078.69, 0.00290168/step Wall: 5078.69, 0.00290168/step, 2.62022 hours remaining, 207.421875 MB of memory in use. ENERGY: 1749200 756.2260 2101.1587 1948.5512 112.4593 -205956.7246 17884.8193 0.0000 0.0000 34307.6015 -148845.9086 299.6168 -183153.5101 -148746.7799 300.4826 117.7765 149.7242 556948.5582 -0.9731 -1.0605 PRESSURE: 1749400 -119.971 8.27405 -3.96151 8.27377 -306.792 70.7734 -3.96096 70.7735 -12.7059 GPRESSURE: 1749400 -117.655 57.9386 38.568 -9.85732 -225.346 59.0843 2.13989 80.0034 -9.37538 PRESSAVG: 1749400 43.8316 -7.92055 34.0623 -7.92057 -82.9183 13.0127 34.0623 13.0127 53.8384 GPRESSAVG: 1749400 44.7313 -8.21289 32.8778 -5.66059 -84.4645 12.6484 35.1591 13.0264 54.1026 TIMING: 1749400 CPU: 5079.27, 0.00291053/step Wall: 5079.27, 0.00291053/step, 2.62805 hours remaining, 207.421875 MB of memory in use. ENERGY: 1749400 761.8102 2159.1087 1956.4169 123.4688 -205657.4971 17517.3786 0.0000 0.0000 34308.7709 -148830.5430 299.6270 -183139.3139 -148737.6773 299.9581 -146.4896 -117.4588 557958.2077 4.9172 4.7898 PRESSURE: 1749600 -151.146 119.858 53.9533 119.859 -250.571 67.1358 53.9537 67.1347 114.179 GPRESSURE: 1749600 -103.515 119.467 84.0064 153.238 -223.185 25.9268 -43.7761 86.2028 129.159 PRESSAVG: 1749600 46.8521 36.7272 32.2611 36.7273 -85.7894 1.75942 32.261 1.75929 58.0847 GPRESSAVG: 1749600 46.8091 36.5604 33.1304 34.3511 -84.5821 1.617 31.9494 0.541918 57.316 TIMING: 1749600 CPU: 5079.85, 0.0028881/step Wall: 5079.85, 0.0028881/step, 2.60763 hours remaining, 207.421875 MB of memory in use. ENERGY: 1749600 772.6166 2100.8465 2003.0126 108.0192 -205948.7051 17724.2766 0.0000 0.0000 34452.6609 -148787.2727 300.8837 -183239.9336 -148696.6443 300.6447 -95.8460 -65.8467 557184.6326 6.3825 6.5143 PRESSURE: 1749800 -170.797 -1.64824 34.4563 -1.64767 148.139 -138.943 34.4559 -138.943 -172.772 GPRESSURE: 1749800 -160.473 32.1869 140.695 6.08161 195.263 -173.086 81.4747 -134.329 -133.409 PRESSAVG: 1749800 -1.45709 -12.2266 2.765 -12.2266 -37.8745 20.5876 2.76502 20.5877 26.8064 GPRESSAVG: 1749800 -1.00022 -15.7353 0.540597 -10.8173 -37.9123 18.0932 4.26207 21.8954 26.6189 TIMING: 1749800 CPU: 5080.42, 0.00288056/step Wall: 5080.42, 0.00288056/step, 2.60067 hours remaining, 207.625000 MB of memory in use. ENERGY: 1749800 769.9929 2135.1028 1955.7192 113.7963 -205909.9031 17866.4757 0.0000 0.0000 34211.4424 -148857.3738 298.7770 -183068.8162 -148767.3452 300.7784 -65.1435 -32.8729 557882.3495 -4.1751 -4.0979 PRESSURE: 1750000 207.653 -105.828 -96.2321 -105.828 80.6894 -26.8559 -96.2319 -26.8566 204.83 GPRESSURE: 1750000 246.496 -150.102 -100.038 -77.2042 106.237 -10.0193 -17.1342 -11.2819 222.677 PRESSAVG: 1750000 -35.2779 35.2419 12.0671 35.242 36.4265 11.5452 12.0671 11.5453 27.1458 GPRESSAVG: 1750000 -35.0539 37.9153 13.9001 33.5115 36.7812 15.685 10.4288 8.47041 26.9715 TIMING: 1750000 CPU: 5081, 0.00287632/step Wall: 5081, 0.00287632/step, 2.59668 hours remaining, 207.625000 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: 1750000 732.3284 2077.2608 1966.4972 111.6412 -206185.6439 17966.3187 0.0000 0.0000 34514.1866 -148817.4109 301.4210 -183331.5975 -148719.5595 299.8494 164.3909 191.8032 555446.0181 9.4315 9.5663 PRESSURE: 1750200 195.416 -56.4825 62.7308 -56.4826 19.4193 -79.291 62.7309 -79.2911 81.9913 GPRESSURE: 1750200 249.094 -55.6551 100.407 -109.87 63.614 -136.056 59.1331 -32.1396 86.0633 PRESSAVG: 1750200 -35.9839 7.91581 26.6342 7.91579 -47.7068 22.4628 26.6341 22.4629 85.4962 GPRESSAVG: 1750200 -35.1139 6.94067 26.6568 8.62362 -48.5552 19.2592 25.6808 25.0297 84.8676 TIMING: 1750200 CPU: 5081.58, 0.00288247/step Wall: 5081.58, 0.00288247/step, 2.60207 hours remaining, 207.625000 MB of memory in use. ENERGY: 1750200 775.1758 2139.5667 1959.6655 113.8868 -205829.7177 17716.6862 0.0000 0.0000 34390.3651 -148734.3716 300.3396 -183124.7367 -148633.7171 300.1754 98.9421 132.9238 556972.7064 0.6018 0.3995 PRESSURE: 1750400 -160.293 141.038 -86.3383 141.038 12.4134 -1.52964 -86.3383 -1.53007 -49.9077 GPRESSURE: 1750400 -156.269 69.2435 -78.1178 103.297 109.033 -94.909 -68.3012 36.2413 -52.9871 PRESSAVG: 1750400 1.41468 14.6285 25.7824 14.6286 -17.1163 -25.1833 25.7824 -25.1833 22.7331 GPRESSAVG: 1750400 -0.560532 17.6841 24.5169 12.3007 -16.7598 -25.4346 27.3858 -24.2545 24.241 TIMING: 1750400 CPU: 5082.16, 0.00289366/step Wall: 5082.16, 0.00289366/step, 2.61201 hours remaining, 207.625000 MB of memory in use. ENERGY: 1750400 766.7917 2072.0241 1942.5505 104.6737 -205666.7013 17786.5563 0.0000 0.0000 34091.4429 -148902.6620 297.7291 -182994.1050 -148800.4440 299.7758 -65.9293 -33.4079 558341.8927 2.3438 2.3069 PRESSURE: 1750600 216.886 176.587 89.4308 176.587 295.481 49.11 89.4294 49.109 -156.767 GPRESSURE: 1750600 228.083 123.483 104.468 95.5643 287.525 13.9521 88.7119 78.9082 -64.4853 PRESSAVG: 1750600 -5.84217 8.77613 0.153577 8.77602 -2.64598 -30.9712 0.153475 -30.9711 30.1853 GPRESSAVG: 1750600 -5.88281 6.56125 2.30372 9.75959 -2.42355 -29.1989 -0.991268 -31.3544 30.3507 TIMING: 1750600 CPU: 5082.73, 0.00288528/step Wall: 5082.73, 0.00288528/step, 2.60429 hours remaining, 207.625000 MB of memory in use. ENERGY: 1750600 740.3635 2118.3230 1945.8865 118.0832 -206105.4170 17990.4072 0.0000 0.0000 34469.6951 -148722.6584 301.0324 -183192.3535 -148627.2580 300.4880 118.5332 150.3742 557947.0179 7.2324 7.3481 PRESSURE: 1750800 100.243 -99.4206 107.296 -99.4203 42.4895 -56.6277 107.297 -56.6253 2.37263 GPRESSURE: 1750800 107.951 -92.7038 94.6482 -74.0495 78.3357 -49.8151 71.8004 -58.5086 59.7637 PRESSAVG: 1750800 -29.004 43.8614 26.3633 43.8614 30.1551 -35.5601 26.3633 -35.56 -13.3802 GPRESSAVG: 1750800 -27.8539 44.7387 26.371 44.5521 28.9865 -34.8573 25.9297 -37.2219 -13.6301 TIMING: 1750800 CPU: 5083.31, 0.00286873/step Wall: 5083.31, 0.00286873/step, 2.58919 hours remaining, 207.695312 MB of memory in use. ENERGY: 1750800 768.6468 2083.1572 1961.5430 113.4298 -205938.6462 17891.4911 0.0000 0.0000 34422.3842 -148697.9940 300.6192 -183120.3783 -148609.9457 300.9492 48.3682 82.0168 558902.3546 -4.0764 -4.1659 PRESSURE: 1751000 -225.597 -27.1867 -127.958 -27.1886 198.74 -69.9075 -127.959 -69.9074 -153.659 GPRESSURE: 1751000 -113.012 19.4105 -21.9061 -17.6852 124.46 -62.5418 -159.793 -16.2804 -95.0023 PRESSAVG: 1751000 -33.9569 -3.64369 -9.48308 -3.6437 38.9397 -26.5628 -9.48308 -26.5628 21.0892 GPRESSAVG: 1751000 -34.4417 -3.10563 -11.0131 -4.62357 39.8554 -27.2887 -9.04809 -26.0012 20.9383 TIMING: 1751000 CPU: 5083.88, 0.00287888/step Wall: 5083.88, 0.00287888/step, 2.59818 hours remaining, 207.695312 MB of memory in use. ENERGY: 1751000 771.1315 2114.7384 1970.1307 112.7170 -205798.4267 17636.6042 0.0000 0.0000 34342.0427 -148851.0622 299.9176 -183193.1050 -148753.4784 300.3039 -60.1722 -27.8512 559048.9615 8.6907 8.7840 PRESSURE: 1751200 -9.94963 -47.5639 -92.1287 -47.5643 -85.4418 105.056 -92.1298 105.056 24.4814 GPRESSURE: 1751200 22.8477 -38.19 -112.042 31.7407 -69.3532 -13.5344 -73.4934 141.798 72.7392 PRESSAVG: 1751200 28.6211 49.0253 24.5171 49.0253 -24.4479 -20.4594 24.5171 -20.4592 -18.9348 GPRESSAVG: 1751200 27.558 48.8151 26.3707 50.0116 -23.9556 -19.5932 24.5651 -19.2843 -18.2677 TIMING: 1751200 CPU: 5084.46, 0.00287724/step Wall: 5084.46, 0.00287724/step, 2.59655 hours remaining, 207.695312 MB of memory in use. ENERGY: 1751200 782.7893 2092.9696 1978.8803 106.2332 -205896.5068 17699.9264 0.0000 0.0000 34224.1161 -149011.5918 298.8877 -183235.7080 -148918.2212 299.8518 -23.6367 8.7446 558048.3910 -4.9205 -4.8884 PRESSURE: 1751400 -252.456 26.7479 -12.3151 26.7464 -29.7967 -73.5947 -12.3151 -73.5951 -177.501 GPRESSURE: 1751400 -200.663 53.3787 -6.86556 13.6017 26.6498 -48.6438 -1.98865 -30.9812 -207.76 PRESSAVG: 1751400 -30.8201 52.1656 -51.0565 52.1656 38.0465 -25.426 -51.0564 -25.4259 15.9974 GPRESSAVG: 1751400 -29.6967 52.0512 -51.5783 50.6161 38.5537 -24.6114 -51.2129 -25.9568 14.8728 TIMING: 1751400 CPU: 5085.04, 0.00289114/step Wall: 5085.04, 0.00289114/step, 2.60893 hours remaining, 207.695312 MB of memory in use. ENERGY: 1751400 735.6800 2094.5214 1992.0740 115.6647 -206207.3319 17683.7717 0.0000 0.0000 34452.2328 -149133.3873 300.8799 -183585.6201 -149046.5394 299.6132 -153.2511 -127.2577 558404.9343 7.7413 7.9099 PRESSURE: 1751600 76.5666 -30.2522 75.1554 -30.2503 -31.3309 -50.4002 75.1551 -50.4007 129.259 GPRESSURE: 1751600 109.628 30.0945 95.2223 -97.3457 -34.6149 -23.0431 95.5411 -43.8482 189.613 PRESSAVG: 1751600 -24.8391 -10.5409 -72.7299 -10.5409 11.0507 -34.5301 -72.7299 -34.5301 17.796 GPRESSAVG: 1751600 -24.4896 -9.69273 -73.1501 -10.5656 10.8859 -35.1298 -72.5575 -34.43 17.9193 TIMING: 1751600 CPU: 5085.61, 0.0028893/step Wall: 5085.61, 0.0028893/step, 2.60711 hours remaining, 207.695312 MB of memory in use. ENERGY: 1751600 729.2589 2026.6178 1963.2586 122.0707 -206158.7506 17920.2207 0.0000 0.0000 34304.6896 -149092.6344 299.5914 -183397.3240 -148999.7414 299.4320 58.1648 88.2086 558801.3996 1.3359 1.4386 PRESSURE: 1751800 65.5734 113.324 28.4863 113.324 -158.736 -24.8798 28.4857 -24.8792 181.997 GPRESSURE: 1751800 154.917 171.558 -38.2576 110.695 -133.645 -43.7107 -21.7602 -48.8648 156.467 PRESSAVG: 1751800 -73.4544 50.1034 22.1697 50.1034 24.3112 -16.4792 22.1697 -16.4792 45.5947 GPRESSAVG: 1751800 -73.5985 47.4193 21.3302 53.5792 24.5807 -16.419 21.032 -17.5591 45.2352 TIMING: 1751800 CPU: 5086.19, 0.00286861/step Wall: 5086.19, 0.00286861/step, 2.58828 hours remaining, 207.695312 MB of memory in use. ENERGY: 1751800 746.4973 2124.7439 1949.9937 132.1255 -206055.2571 17783.0463 0.0000 0.0000 34196.0327 -149122.8177 298.6425 -183318.8504 -149026.1738 298.9466 29.6115 59.2465 557866.4481 -1.1829 -1.2609 PRESSURE: 1752000 67.2539 106.053 160.687 106.053 -99.0708 -89.611 160.687 -89.6106 -205.723 GPRESSURE: 1752000 135.138 110.306 238.541 135.03 -71.7 -66.986 129.192 -103.865 -197.528 PRESSAVG: 1752000 8.91047 27.693 42.3835 27.6929 -11.4927 10.0927 42.3834 10.0927 45.5822 GPRESSAVG: 1752000 8.21767 27.6677 42.1711 26.091 -11.1465 11.5513 42.9439 10.6683 45.759 TIMING: 1752000 CPU: 5086.76, 0.00287685/step Wall: 5086.76, 0.00287685/step, 2.59556 hours remaining, 207.695312 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: 1752000 764.9318 2021.1680 1942.7045 119.0213 -206098.4144 17880.7883 0.0000 0.0000 34312.1188 -149057.6817 299.6563 -183369.8005 -148960.1615 299.3061 -79.1801 -44.6966 559165.7280 14.3333 14.2767 PRESSURE: 1752200 -27.4136 160.135 139.174 160.135 235.043 0.0710944 139.176 0.0702892 144.296 GPRESSURE: 1752200 -12.742 240.975 106.961 49.8849 270.025 -33.6227 109.748 34.1537 186.077 PRESSAVG: 1752200 30.7213 -10.6164 21.9042 -10.6163 27.9814 -7.35841 21.9042 -7.35847 -109.282 GPRESSAVG: 1752200 30.7607 -9.42396 23.3587 -11.7504 28.2357 -8.59826 23.5238 -7.76211 -109.68 TIMING: 1752200 CPU: 5087.34, 0.00287815/step Wall: 5087.34, 0.00287815/step, 2.59657 hours remaining, 207.695312 MB of memory in use. ENERGY: 1752200 746.7831 2067.3130 1984.0332 112.7196 -206235.3990 18007.5660 0.0000 0.0000 34206.4597 -149110.5244 298.7335 -183316.9841 -149017.7586 299.3555 117.3086 147.7864 558117.0284 -16.8596 -16.8946 LDB: ============= START OF LOAD BALANCING ============== 5090.8 LDB: ============== END OF LOAD BALANCING =============== 5090.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5090.8 LDB: ============= START OF LOAD BALANCING ============== 5091.09 LDB: Largest compute 4821 load 0.030142 is 25.6% of average load 0.117682 LDB: Average compute 0.001722 is 1.5% of average load 0.117682 LDB: TIME 5091.09 LOAD: AVG 0.117682 MAX 0.178746 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.316 MB LDB: TIME 5091.09 LOAD: AVG 0.117682 MAX 0.178746 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: TIME 5091.09 LOAD: AVG 0.117682 MAX 0.178746 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5091.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5091.1 PRESSURE: 1752400 96.4606 37.0348 -75.7722 37.0333 138.367 0.964287 -75.772 0.963519 -47.619 GPRESSURE: 1752400 88.1523 69.989 -140.283 9.41732 186.199 54.7651 -66.5323 -46.5093 2.3954 PRESSAVG: 1752400 -10.3824 42.6026 -24.4337 42.6025 12.8095 -6.12742 -24.4338 -6.12738 18.0241 GPRESSAVG: 1752400 -10.4701 41.2957 -25.9965 43.4887 11.8767 -4.51968 -25.4069 -6.3179 19.0124 TIMING: 1752400 CPU: 5087.92, 0.00292901/step Wall: 5087.92, 0.00292901/step, 2.64229 hours remaining, 205.753906 MB of memory in use. ENERGY: 1752400 749.0100 2148.0694 1972.7119 126.9846 -206511.7509 18010.3229 0.0000 0.0000 34228.0145 -149276.6377 298.9218 -183504.6522 -149191.1985 300.1549 62.4030 92.2490 556943.7466 6.8171 6.8063 PRESSURE: 1752600 -96.8586 -155.994 109.02 -155.994 -163.784 211.394 109.019 211.394 -21.6421 GPRESSURE: 1752600 -84.0473 -268.992 126.109 -81.9385 -102.59 222.564 34.2161 220.021 -3.93725 PRESSAVG: 1752600 -7.97309 -5.75485 22.4945 -5.75488 -12.5071 35.8968 22.4946 35.8967 64.713 GPRESSAVG: 1752600 -7.72015 -5.59805 27.0332 -4.63352 -12.2504 36.0431 20.7535 36.152 64.3992 TIMING: 1752600 CPU: 5088.5, 0.0028824/step Wall: 5088.5, 0.0028824/step, 2.60009 hours remaining, 205.753906 MB of memory in use. ENERGY: 1752600 761.5176 2067.2590 1977.7801 118.8577 -206440.4005 17856.5240 0.0000 0.0000 34393.0132 -149265.4489 300.3627 -183658.4621 -149172.1059 299.1054 -94.0948 -63.5247 556750.3648 14.7443 14.8095 PRESSURE: 1752800 -174.069 0.0405951 -8.64923 0.0395602 104.239 -26.6375 -8.64894 -26.6383 -96.0316 GPRESSURE: 1752800 -125.383 -13.2855 44.7123 -22.36 141.493 47.2789 8.90291 -38.1701 -89.74 PRESSAVG: 1752800 12.0113 15.151 -15.2682 15.151 -11.8756 12.5462 -15.2683 12.5463 53.3102 GPRESSAVG: 1752800 12.6216 14.2995 -16.5255 14.7149 -11.1253 9.39727 -13.5763 14.0233 52.4408 TIMING: 1752800 CPU: 5089.08, 0.00289771/step Wall: 5089.08, 0.00289771/step, 2.61374 hours remaining, 205.917969 MB of memory in use. ENERGY: 1752800 738.3320 2149.3336 1942.4648 115.3158 -206165.2397 17705.6112 0.0000 0.0000 34379.1103 -149135.0721 300.2413 -183514.1824 -149037.3575 299.3044 -55.2870 -24.5435 557820.8670 17.8153 17.9791 PRESSURE: 1753000 -16.5434 189.326 -157.032 189.326 194.239 -94.0043 -157.032 -94.004 200.819 GPRESSURE: 1753000 11.9041 168.818 -168.818 273.652 263.78 -25.3978 -124.111 -120.37 208.561 PRESSAVG: 1753000 18.6172 40.2605 -68.2599 40.2606 -32.1424 0.945784 -68.2598 0.945815 -5.00713 GPRESSAVG: 1753000 17.7193 43.2868 -69.0297 39.5023 -32.0087 1.58597 -70.2526 0.864785 -4.66252 TIMING: 1753000 CPU: 5089.66, 0.00287987/step Wall: 5089.66, 0.00287987/step, 2.59748 hours remaining, 205.917969 MB of memory in use. ENERGY: 1753000 791.5980 2047.1106 1955.5655 117.1925 -206503.8363 18113.0953 0.0000 0.0000 34431.4358 -149047.8386 300.6983 -183479.2744 -148945.2774 299.6392 126.1716 161.4152 556193.0927 -6.1774 -6.3173 PRESSURE: 1753200 -103.463 -51.3631 -60.79 -51.3627 -68.697 -75.2812 -60.7917 -75.281 -279.818 GPRESSURE: 1753200 1.86191 -9.71739 -68.5759 -77.0259 -117.531 -132.105 -19.1141 3.91617 -244.675 PRESSAVG: 1753200 7.9182 -6.19037 -38.1896 -6.19038 12.2343 2.56223 -38.1897 2.56214 10.5281 GPRESSAVG: 1753200 8.59765 -6.51821 -38.6467 -5.23266 12.5465 1.41133 -36.4424 3.0443 9.56376 TIMING: 1753200 CPU: 5090.23, 0.00286502/step Wall: 5090.23, 0.00286502/step, 2.58393 hours remaining, 205.917969 MB of memory in use. ENERGY: 1753200 738.0949 2083.0257 1973.6329 119.2295 -205968.5450 17684.0703 0.0000 0.0000 34298.3053 -149072.1863 299.5356 -183370.4916 -148966.4561 299.6959 -150.6591 -120.1148 559205.7678 10.2269 10.2360 PRESSURE: 1753400 -139.876 -135.712 -83.5033 -135.713 -117.391 -20.5452 -83.5024 -20.5457 -402.425 GPRESSURE: 1753400 -132.283 -199.778 -121.95 -45.4831 -81.5239 5.08307 -101.932 -13.3915 -356.978 PRESSAVG: 1753400 56.1463 -3.53028 -53.454 -3.5303 17.808 3.75652 -53.4541 3.75657 -83.3434 GPRESSAVG: 1753400 54.967 -5.82317 -53.2913 -3.21646 17.755 2.3753 -53.1583 4.41519 -82.794 TIMING: 1753400 CPU: 5090.8, 0.00287925/step Wall: 5090.8, 0.00287925/step, 2.59661 hours remaining, 205.917969 MB of memory in use. ENERGY: 1753400 720.9751 2107.1563 1962.5302 109.7343 -205683.5931 17450.1426 0.0000 0.0000 34320.1343 -149012.9202 299.7263 -183333.0545 -148920.9994 298.8940 -219.8970 -190.2615 559145.1501 -3.1297 -3.3573 PRESSURE: 1753600 -24.0824 12.6359 -87.9459 12.6354 226.949 58.0261 -87.9459 58.0251 21.8468 GPRESSURE: 1753600 9.02272 -16.5266 -104.665 62.5561 281.541 13.1089 -83.5496 35.4132 13.071 PRESSAVG: 1753600 27.8377 41.9036 -40.3402 41.9035 -17.7116 -13.3364 -40.3402 -13.3364 -3.1891 GPRESSAVG: 1753600 27.6573 45.4283 -40.9783 38.9588 -16.8558 -10.0996 -41.3026 -14.4331 -3.68741 TIMING: 1753600 CPU: 5091.38, 0.00289619/step Wall: 5091.38, 0.00289619/step, 2.61172 hours remaining, 205.917969 MB of memory in use. ENERGY: 1753600 758.3142 2099.8298 1974.8347 119.2550 -206239.6674 18062.5130 0.0000 0.0000 34340.2861 -148884.6346 299.9023 -183224.9207 -148786.5053 299.7246 74.9046 101.2117 559890.4577 2.3124 2.3714 PRESSURE: 1753800 38.4508 28.0764 -18.0257 28.0758 -0.370632 28.7087 -18.0263 28.7078 -301.356 GPRESSURE: 1753800 19.0523 32.3528 43.228 -12.8049 77.3728 -51.5717 -69.0536 40.9898 -270.733 PRESSAVG: 1753800 -19.4866 16.6992 -33.449 16.6991 -22.4059 -59.4576 -33.449 -59.4575 14.9829 GPRESSAVG: 1753800 -19.1366 14.4828 -32.674 18.0802 -23.0076 -59.4714 -32.9682 -61.4819 15.4365 TIMING: 1753800 CPU: 5091.96, 0.00288591/step Wall: 5091.96, 0.00288591/step, 2.60229 hours remaining, 205.917969 MB of memory in use. ENERGY: 1753800 746.4368 2047.6407 1954.0527 105.9797 -205703.6086 17537.3792 0.0000 0.0000 34392.1286 -148919.9910 300.3550 -183312.1195 -148829.2254 299.9383 -87.7586 -58.1026 558301.8442 -8.9698 -8.9026 PRESSURE: 1754000 129.883 38.7889 4.34695 38.7885 -104.295 -2.51505 4.34682 -2.51557 -4.05992 GPRESSURE: 1754000 166.54 43.3875 4.16133 84.2894 -40.8353 17.3907 -20.1961 -30.4572 -11.36 PRESSAVG: 1754000 62.2494 14.2226 -35.0283 14.2226 -25.598 7.37695 -35.0283 7.37701 1.04531 GPRESSAVG: 1754000 62.6156 13.2857 -36.0511 16.3346 -26.759 6.05742 -36.5598 8.35551 2.36939 TIMING: 1754000 CPU: 5092.54, 0.00288021/step Wall: 5092.54, 0.00288021/step, 2.59699 hours remaining, 205.917969 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: 1754000 770.9884 2066.6581 1957.3707 108.3174 -205582.6461 17733.4884 0.0000 0.0000 34239.9308 -148705.8923 299.0258 -182945.8231 -148612.4759 300.3204 7.1763 38.1148 556866.7754 12.5656 12.7420 PRESSURE: 1754200 1.15164 -23.9532 85.8376 -23.953 -49.4086 28.5385 85.838 28.5373 -81.2823 GPRESSURE: 1754200 58.2288 -121.407 50.002 40.8204 -17.3061 41.0022 23.8689 -28.7069 -79.9341 PRESSAVG: 1754200 78.5026 23.2105 2.92974 23.2106 -65.0639 5.60576 2.92975 5.60576 -5.80306 GPRESSAVG: 1754200 78.8128 23.1816 1.59036 20.478 -64.1276 6.34807 3.92193 7.15009 -6.74962 TIMING: 1754200 CPU: 5093.11, 0.00288576/step Wall: 5093.11, 0.00288576/step, 2.60184 hours remaining, 205.917969 MB of memory in use. ENERGY: 1754200 762.7889 2140.9992 1956.5357 116.6542 -205619.8938 17661.0920 0.0000 0.0000 34425.5963 -148556.2276 300.6473 -182981.8239 -148462.0484 300.9473 -43.1798 -13.0038 557121.1955 2.5452 2.6452 PRESSURE: 1754400 -245.302 69.5175 -220.106 69.5172 22.5762 -87.3548 -220.106 -87.3544 -84.6738 GPRESSURE: 1754400 -213.511 116.354 -163.542 23.8296 53.8029 -149.463 -276.021 -61.2061 -64.0747 PRESSAVG: 1754400 -6.75437 23.8505 8.44008 23.8505 19.0893 -26.4493 8.44004 -26.4492 -10.8897 GPRESSAVG: 1754400 -7.06305 26.0594 11.4577 25.8049 18.7166 -28.4977 7.89723 -29.5623 -10.3873 TIMING: 1754400 CPU: 5093.69, 0.00289389/step Wall: 5093.69, 0.00289389/step, 2.609 hours remaining, 205.917969 MB of memory in use. ENERGY: 1754400 728.7014 2135.9770 1980.8905 107.3792 -205569.4095 17567.4774 0.0000 0.0000 34455.3923 -148593.5917 300.9075 -183048.9840 -148500.9179 301.0784 -102.4664 -74.5944 557001.6101 0.4817 0.4221 PRESSURE: 1754600 36.1005 -62.4843 114.846 -62.4836 16.1933 -135.188 114.847 -135.188 162.942 GPRESSURE: 1754600 78.5603 -36.181 75.3661 -25.3424 50.2287 -134.754 138.198 -68.4993 172.192 PRESSAVG: 1754600 -7.284 -28.3577 20.2519 -28.3577 34.879 -21.2225 20.2519 -21.2226 -24.9561 GPRESSAVG: 1754600 -7.41701 -29.5704 20.0666 -28.263 35.6961 -21.5686 19.6741 -21.24 -25.339 TIMING: 1754600 CPU: 5094.27, 0.00289856/step Wall: 5094.27, 0.00289856/step, 2.61305 hours remaining, 205.917969 MB of memory in use. ENERGY: 1754600 723.6000 2116.5658 1966.9360 120.0377 -205679.4731 17669.8186 0.0000 0.0000 34313.6026 -148768.9123 299.6692 -183082.5149 -148667.0931 300.6491 71.7454 100.3270 556536.6665 0.8797 0.9800 PRESSURE: 1754800 -60.0544 122.604 -116.134 122.603 -134.93 184.344 -116.135 184.343 71.6389 GPRESSURE: 1754800 -68.5425 168.799 -122.849 98.4154 -63.5214 130.855 -148.07 250.78 105.445 PRESSAVG: 1754800 -13.1381 -18.8734 -49.4585 -18.8733 -30.2836 -55.7754 -49.4586 -55.7753 41.1022 GPRESSAVG: 1754800 -12.2176 -20.1527 -50.3504 -19.3814 -31.8139 -54.6626 -48.6083 -57.0042 41.7324 TIMING: 1754800 CPU: 5094.86, 0.00292719/step Wall: 5094.86, 0.00292719/step, 2.6387 hours remaining, 205.917969 MB of memory in use. ENERGY: 1754800 746.2894 2084.2782 1964.6137 110.8883 -205777.4513 17564.1981 0.0000 0.0000 34536.2270 -148770.9566 301.6135 -183307.1836 -148677.5459 299.4551 -41.1152 -8.8730 556830.0354 -0.7732 -0.7664 PRESSURE: 1755000 29.4625 35.966 -4.31429 35.9675 -194.48 51.2046 -4.31619 51.2029 -37.7634 GPRESSURE: 1755000 9.44565 48.8145 -44.8703 72.9957 -101.208 -26.3934 15.0992 51.305 -7.26532 PRESSAVG: 1755000 -8.82087 -25.9066 -18.5926 -25.9066 11.329 15.7807 -18.5926 15.7807 -4.31585 GPRESSAVG: 1755000 -9.18395 -25.031 -17.1641 -25.0543 13.0072 15.7632 -18.0162 17.9915 -6.19985 TIMING: 1755000 CPU: 5095.43, 0.00288204/step Wall: 5095.43, 0.00288204/step, 2.59784 hours remaining, 205.917969 MB of memory in use. ENERGY: 1755000 736.6755 2124.1142 1983.4684 118.9864 -205762.8310 17538.5115 0.0000 0.0000 34160.4132 -149100.6617 298.3314 -183261.0750 -148999.1598 300.0563 -67.5935 -33.0093 556692.5551 -0.6026 -0.7922 PRESSURE: 1755200 -181.982 -42.4435 177.571 -42.4432 -196.038 18.1553 177.57 18.1548 -56.6271 GPRESSURE: 1755200 -83.0184 -112.409 192.875 -4.09374 -133.039 18.133 103.205 11.5441 -116.71 PRESSAVG: 1755200 40.0301 27.4742 28.9832 27.4743 -12.6469 -30.3246 28.9832 -30.3246 -25.4202 GPRESSAVG: 1755200 41.1971 25.3306 28.1096 24.8791 -13.8675 -29.611 29.8991 -30.0191 -25.5801 TIMING: 1755200 CPU: 5096.02, 0.0029246/step Wall: 5096.02, 0.0029246/step, 2.63604 hours remaining, 205.917969 MB of memory in use. ENERGY: 1755200 755.8416 2130.6140 1975.5310 122.6087 -205648.6058 17400.1255 0.0000 0.0000 34395.3249 -148868.5601 300.3829 -183263.8850 -148764.6492 299.3397 -144.8824 -110.9225 557956.5051 0.6543 0.5832 PRESSURE: 1755400 -128.748 29.449 -4.36125 29.4474 65.2199 210.648 -4.36145 210.647 -32.6837 GPRESSURE: 1755400 -67.9778 27.2151 -91.7199 70.0626 82.8278 308.945 -1.94673 174.325 -9.60937 PRESSAVG: 1755400 37.8271 11.6589 -5.05364 11.6588 -53.6216 -65.08 -5.05369 -65.0801 -23.669 GPRESSAVG: 1755400 36.7496 11.6074 -5.79324 13.5455 -54.4125 -66.7911 -5.56804 -65.2702 -21.4528 TIMING: 1755400 CPU: 5096.6, 0.00289577/step Wall: 5096.6, 0.00289577/step, 2.6099 hours remaining, 206.007812 MB of memory in use. ENERGY: 1755400 740.9232 2082.1894 1973.2189 102.6192 -206159.9907 17717.2410 0.0000 0.0000 34444.0363 -149099.7627 300.8083 -183543.7990 -149008.4326 300.0911 -32.0705 1.7469 557773.9258 -13.1545 -13.0386 PRESSURE: 1755600 -76.9277 -27.3837 102.804 -27.3834 -259.001 -50.5129 102.806 -50.5139 177.771 GPRESSURE: 1755600 -38.4038 7.69261 -1.55134 -0.0138493 -208.984 -31.8142 125.813 -42.8221 187.022 PRESSAVG: 1755600 33.491 -22.4295 -45.484 -22.4294 -28.1106 -33.2291 -45.484 -33.2292 -3.79189 GPRESSAVG: 1755600 32.988 -21.6463 -46.5507 -22.8004 -27.6388 -34.1674 -45.8508 -33.2626 -4.05908 TIMING: 1755600 CPU: 5097.18, 0.00289931/step Wall: 5097.18, 0.00289931/step, 2.61293 hours remaining, 206.007812 MB of memory in use. ENERGY: 1755600 706.9552 2055.7380 1951.7785 121.3674 -206200.7756 17818.3818 0.0000 0.0000 34342.4930 -149204.0618 299.9215 -183546.5548 -149106.9096 299.3541 -52.7194 -20.1217 559291.0876 0.5295 0.4301 PRESSURE: 1755800 -30.1941 -76.734 -31.1557 -76.7333 -142.61 -99.9438 -31.1559 -99.944 233.693 GPRESSURE: 1755800 5.90981 -73.2884 -21.485 -69.3682 -152.316 -119.625 -103.448 -123.641 309.664 PRESSAVG: 1755800 -37.1268 -48.1762 -10.436 -48.1762 -54.9237 -21.017 -10.4359 -21.0169 98.2428 GPRESSAVG: 1755800 -37.3498 -49.1508 -7.33943 -48.1471 -54.8809 -21.5827 -11.1347 -20.8777 98.2722 TIMING: 1755800 CPU: 5097.76, 0.00291574/step Wall: 5097.76, 0.00291574/step, 2.62757 hours remaining, 206.007812 MB of memory in use. ENERGY: 1755800 765.4663 2056.2826 1990.3770 129.1170 -206019.7797 17879.6592 0.0000 0.0000 34129.9221 -149068.9554 298.0651 -183198.8775 -148969.4071 299.4637 20.2962 54.4194 558914.7850 2.0641 2.0138 PRESSURE: 1756000 -233.227 -48.0819 -152.888 -48.0805 -180.36 -100.854 -152.889 -100.853 -177.383 GPRESSURE: 1756000 -193.241 -44.5345 -91.389 -58.1738 -137.87 -130.547 -133.301 -60.098 -159.102 PRESSAVG: 1756000 25.5438 -27.3527 -3.44982 -27.3526 -75.1655 -41.4609 -3.44983 -41.4609 40.7167 GPRESSAVG: 1756000 25.1142 -25.3156 -1.33603 -27.2361 -74.7382 -39.7155 -3.39885 -44.0445 40.5867 TIMING: 1756000 CPU: 5098.34, 0.00289776/step Wall: 5098.34, 0.00289776/step, 2.6112 hours remaining, 206.007812 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: 1756000 740.8983 2107.1907 1989.6469 122.6108 -205590.5672 17369.0308 0.0000 0.0000 34411.7149 -148849.4748 300.5261 -183261.1897 -148751.5385 299.9730 -196.9900 -163.4043 560281.3718 -2.9684 -3.0124 PRESSURE: 1756200 -80.8205 118.252 65.8655 118.253 -220.157 12.9618 65.8654 12.9622 -125.114 GPRESSURE: 1756200 -51.4635 76.8463 121.173 133.193 -182.469 -56.6226 36.4309 70.3524 -95.7398 PRESSAVG: 1756200 17.2924 29.2017 -31.9918 29.2017 -94.023 41.8274 -31.9918 41.8274 86.6541 GPRESSAVG: 1756200 17.7775 29.7212 -32.7814 29.0252 -93.6114 40.4684 -30.9903 44.5913 85.9955 TIMING: 1756200 CPU: 5098.92, 0.0029072/step Wall: 5098.92, 0.0029072/step, 2.61955 hours remaining, 206.007812 MB of memory in use. ENERGY: 1756200 735.3564 2087.5651 1975.1203 115.0097 -205530.6034 17556.7053 0.0000 0.0000 34349.2557 -148711.5909 299.9806 -183060.8466 -148614.6809 300.1702 -142.0305 -109.8909 559430.0166 3.3078 3.3872 LDB: ============= START OF LOAD BALANCING ============== 5102.39 LDB: ============== END OF LOAD BALANCING =============== 5102.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5102.39 LDB: ============= START OF LOAD BALANCING ============== 5102.68 LDB: Largest compute 4821 load 0.031670 is 26.9% of average load 0.117697 LDB: Average compute 0.001730 is 1.5% of average load 0.117697 LDB: TIME 5102.68 LOAD: AVG 0.117697 MAX 0.176568 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.281 MB LDB: TIME 5102.68 LOAD: AVG 0.117697 MAX 0.176568 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.281 MB LDB: TIME 5102.68 LOAD: AVG 0.117697 MAX 0.176568 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.281 MB LDB: ============== END OF LOAD BALANCING =============== 5102.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5102.69 PRESSURE: 1756400 135.218 28.174 -103.401 28.174 179.561 40.2448 -103.402 40.245 463.87 GPRESSURE: 1756400 184.714 95.0289 -77.8997 12.1083 212.197 -0.314391 -163.6 139.792 464.414 PRESSAVG: 1756400 43.104 56.076 -4.57282 56.076 -66.3249 23.3507 -4.57275 23.3507 35.3874 GPRESSAVG: 1756400 42.4863 56.4664 -6.09465 55.1735 -66.5294 24.736 -5.47701 21.8657 35.8288 TIMING: 1756400 CPU: 5099.51, 0.00294629/step Wall: 5099.51, 0.00294628/step, 2.6546 hours remaining, 206.222656 MB of memory in use. ENERGY: 1756400 724.5249 2069.6662 1971.0361 123.4265 -206340.0908 18050.6579 0.0000 0.0000 34525.6708 -148875.1084 301.5213 -183400.7792 -148782.4997 300.3560 259.5498 287.1082 556949.0063 4.0555 3.9286 PRESSURE: 1756600 3.99104 134.132 8.82845 134.131 -116.785 -69.706 8.82905 -69.7075 14.7232 GPRESSURE: 1756600 82.358 131.623 35.1275 146.511 -61.1152 70.5955 -43.1969 -66.4391 -13.5683 PRESSAVG: 1756600 26.4216 56.4067 66.5616 56.4067 -50.8688 -19.1342 66.5615 -19.1343 44.8981 GPRESSAVG: 1756600 27.1415 54.5736 66.1357 55.9631 -51.6434 -17.2007 68.1429 -18.8588 44.499 TIMING: 1756600 CPU: 5100.09, 0.00288647/step Wall: 5100.09, 0.00288647/step, 2.60055 hours remaining, 206.222656 MB of memory in use. ENERGY: 1756600 735.9750 2016.5855 1978.7458 123.7178 -205920.6817 17716.1219 0.0000 0.0000 34478.0344 -148871.5014 301.1052 -183349.5358 -148774.8463 300.6424 -32.6903 2.5582 557357.7983 6.8170 6.6657 PRESSURE: 1756800 -133.168 100.18 40.1563 100.181 -104.445 -200.625 40.1562 -200.626 -29.8713 GPRESSURE: 1756800 -107.242 73.2609 60.8544 36.173 -26.032 -224.368 47.7796 -145.697 -21.7707 PRESSAVG: 1756800 -17.5477 2.91953 12.3879 2.91952 -12.8333 -25.4368 12.3879 -25.4367 34.5909 GPRESSAVG: 1756800 -18.0369 3.1275 12.874 4.19333 -12.7651 -27.0141 13.8711 -25.3944 34.9809 TIMING: 1756800 CPU: 5100.66, 0.00287774/step Wall: 5100.66, 0.00287774/step, 2.59252 hours remaining, 206.222656 MB of memory in use. ENERGY: 1756800 722.8838 2043.5398 1962.5896 111.6898 -205635.1275 17547.4882 0.0000 0.0000 34180.0151 -149066.9213 298.5026 -183246.9364 -148976.6860 300.2053 -89.1614 -51.6815 557978.4095 1.4033 1.3930 PRESSURE: 1757000 130.059 -151.728 83.8033 -151.728 -167.788 7.99813 83.8026 7.99754 -15.6083 GPRESSURE: 1757000 153.747 -127.447 92.2313 -125.367 -105.855 -8.24005 73.3568 43.5652 -9.88092 PRESSAVG: 1757000 -5.24735 19.4699 -8.76148 19.4699 44.8562 -22.9571 -8.76145 -22.957 -18.8632 GPRESSAVG: 1757000 -5.32274 18.2359 -9.3065 19.1028 44.6084 -21.8807 -10.687 -23.9906 -18.8688 TIMING: 1757000 CPU: 5101.24, 0.00288388/step Wall: 5101.24, 0.00288388/step, 2.5979 hours remaining, 206.222656 MB of memory in use. ENERGY: 1757000 720.3040 2120.8536 1955.2578 115.6863 -205753.1376 17644.9053 0.0000 0.0000 34184.1651 -149011.9655 298.5388 -183196.1307 -148915.9135 299.9631 -17.7793 12.6705 557651.1399 6.9152 6.8056 PRESSURE: 1757200 82.978 -55.6674 54.1694 -55.6681 71.7112 -78.0944 54.1701 -78.095 134.157 GPRESSURE: 1757200 153.252 22.8593 123.492 -128.777 111.603 -160.491 70.6924 -55.6682 107.772 PRESSAVG: 1757200 35.391 -3.64358 -31.5282 -3.64355 48.6822 65.0377 -31.5283 65.0377 -49.0043 GPRESSAVG: 1757200 34.6093 -2.06377 -29.9776 -4.80343 49.5762 62.5656 -31.6525 67.0858 -49.6213 TIMING: 1757200 CPU: 5101.82, 0.00288672/step Wall: 5101.82, 0.00288672/step, 2.60029 hours remaining, 206.394531 MB of memory in use. ENERGY: 1757200 769.7747 2078.8532 1957.6436 136.8996 -206222.7954 17839.3542 0.0000 0.0000 34301.3918 -149138.8785 299.5626 -183440.2702 -149046.2853 299.4488 96.2822 124.2089 556719.8579 11.6896 11.5214 PRESSURE: 1757400 -170.226 99.1036 40.0715 99.1031 -40.6234 -13.5204 40.0724 -13.5216 -25.3331 GPRESSURE: 1757400 -141.12 50.1901 14.1938 118.059 20.8255 -7.95668 19.0441 -11.2392 -27.4976 PRESSAVG: 1757400 -27.3364 6.02444 31.5874 6.02441 -28.4412 -11.4838 31.5875 -11.4838 62.2657 GPRESSAVG: 1757400 -26.2674 4.07695 30.6706 5.70281 -29.3118 -10.4119 33.2256 -13.1091 62.5306 TIMING: 1757400 CPU: 5102.4, 0.00288752/step Wall: 5102.4, 0.00288752/step, 2.60085 hours remaining, 206.394531 MB of memory in use. ENERGY: 1757400 720.2049 2098.6734 1959.7780 103.9382 -206001.2589 17595.0298 0.0000 0.0000 34290.7127 -149232.9218 299.4693 -183523.6345 -149134.3728 299.0176 -78.7275 -49.2641 557539.7060 2.1627 2.3171 PRESSURE: 1757600 -184.052 -71.0147 91.7818 -71.0139 -65.2889 -51.8398 91.7805 -51.8408 -48.2407 GPRESSURE: 1757600 -152.585 -101.401 169.094 -26.7544 -40.4421 -6.04515 40.9754 -106.089 -5.24058 PRESSAVG: 1757600 20.9797 5.21461 54.4099 5.21463 25.2599 -60.3532 54.4098 -60.3533 -12.5165 GPRESSAVG: 1757600 20.4594 6.52711 54.5937 5.16152 25.3223 -59.2738 52.7274 -59.7683 -12.2515 TIMING: 1757600 CPU: 5102.97, 0.00287158/step Wall: 5102.97, 0.00287158/step, 2.58634 hours remaining, 206.394531 MB of memory in use. ENERGY: 1757600 715.2420 2056.5363 1962.3979 115.2953 -205725.0207 17432.0068 0.0000 0.0000 34241.6944 -149201.8479 299.0412 -183443.5424 -149109.6334 299.6325 -99.1939 -66.0891 556798.8672 11.2410 11.1767 PRESSURE: 1757800 -64.3579 -13.3092 98.0579 -13.3089 -81.8146 16.6023 98.0585 16.5997 -88.9064 GPRESSURE: 1757800 -58.4208 142.534 90.0271 49.5418 -18.3093 -14.0582 120.294 9.88116 -60.8681 PRESSAVG: 1757800 -19.7254 14.6861 24.8632 14.6861 34.708 17.8459 24.8631 17.8459 -48.0712 GPRESSAVG: 1757800 -19.8959 15.5903 24.6006 13.2 35.3562 15.8036 25.3926 20.5006 -48.1047 TIMING: 1757800 CPU: 5103.55, 0.00288233/step Wall: 5103.55, 0.00288233/step, 2.59586 hours remaining, 206.394531 MB of memory in use. ENERGY: 1757800 735.2735 2103.6743 1959.8961 106.5694 -206169.6785 17729.9770 0.0000 0.0000 34250.3223 -149283.9658 299.1166 -183534.2882 -149192.1298 299.0539 -78.3596 -45.8660 557201.9578 -11.0295 -10.8815 PRESSURE: 1758000 44.1978 -147.968 80.2101 -147.967 156.132 -95.5326 80.2113 -95.5313 -130.092 GPRESSURE: 1758000 87.5212 -170.019 16.7686 -182.036 204.253 -157.315 191.201 -72.8636 -136.127 PRESSAVG: 1758000 43.6541 40.4855 -1.41373 40.4855 10.335 -13.998 -1.41374 -13.9981 15.998 GPRESSAVG: 1758000 44.6158 38.311 -1.51486 42.3441 9.85734 -11.9224 -1.81477 -14.5566 15.3324 TIMING: 1758000 CPU: 5104.12, 0.00287655/step Wall: 5104.12, 0.00287655/step, 2.5905 hours remaining, 206.394531 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 741.6689 2107.1977 1998.2017 110.6953 -206251.8980 17706.3280 0.0000 0.0000 34548.8016 -149039.0048 301.7233 -183587.8064 -148945.6137 299.3046 23.4126 51.8824 555569.5748 23.3290 23.2685 PRESSURE: 1758200 -83.6211 151.82 -43.3638 151.821 -284.746 -14.2077 -43.3626 -14.2068 -26.9142 GPRESSURE: 1758200 0.334762 176.523 -70.4842 119.04 -279.901 54.1581 2.09272 -93.0801 -3.05812 PRESSAVG: 1758200 -28.1997 -13.3663 13.4152 -13.3664 -4.48936 -48.3591 13.4153 -48.359 17.1984 GPRESSAVG: 1758200 -27.7422 -13.9475 13.8751 -14.4613 -4.1982 -48.2121 14.8908 -50.6408 16.6893 TIMING: 1758200 CPU: 5104.7, 0.00288864/step Wall: 5104.7, 0.00288864/step, 2.60122 hours remaining, 206.394531 MB of memory in use. ENERGY: 1758200 755.6131 2105.2446 1962.2263 110.9147 -206090.2486 17659.4850 0.0000 0.0000 34338.8582 -149157.9069 299.8898 -183496.7651 -149060.9741 299.0639 -131.7603 -94.2082 556127.4413 -5.1636 -5.0837 PRESSURE: 1758400 26.3851 16.322 111.337 16.3226 112.38 20.533 111.337 20.5349 119.903 GPRESSURE: 1758400 75.1945 4.14448 81.4389 44.9671 165.643 -17.7167 134.175 14.0558 115.842 PRESSAVG: 1758400 -19.8299 -9.65715 -13.1477 -9.65717 -28.4168 -7.09669 -13.1477 -7.09666 22.393 GPRESSAVG: 1758400 -20.3547 -8.62458 -12.0421 -7.28619 -29.6269 -6.95716 -15.1378 -7.41658 24.1219 TIMING: 1758400 CPU: 5105.28, 0.00287681/step Wall: 5105.28, 0.00287681/step, 2.59041 hours remaining, 206.394531 MB of memory in use. ENERGY: 1758400 727.4706 2083.7554 1967.0445 115.2635 -206093.4214 17824.8603 0.0000 0.0000 34364.5613 -149010.4658 300.1143 -183375.0271 -148921.2804 300.0474 86.2226 118.8934 557313.8805 -8.6179 -8.6199 PRESSURE: 1758600 -199.756 -198.088 -32.7791 -198.087 -35.2372 100.258 -32.7782 100.257 -47.4917 GPRESSURE: 1758600 -227.186 -253.853 -65.6262 -126.472 70.354 107.566 -19.6152 29.9336 -40.4648 PRESSAVG: 1758600 -13.626 -12.3908 25.9424 -12.3908 -3.39643 35.9087 25.9424 35.9087 -2.08123 GPRESSAVG: 1758600 -13.628 -12.1535 27.1591 -13.6593 -3.38851 33.0935 27.5558 37.7903 -2.26509 TIMING: 1758600 CPU: 5105.85, 0.00287764/step Wall: 5105.85, 0.00287764/step, 2.591 hours remaining, 206.394531 MB of memory in use. ENERGY: 1758600 716.9441 2093.3492 1965.3529 109.3229 -206041.4368 17632.0509 0.0000 0.0000 34484.7154 -149039.7016 301.1636 -183524.4169 -148936.1295 299.8256 -94.1618 -65.7657 557642.7854 -6.3679 -6.4272 PRESSURE: 1758800 149.608 -149.977 31.9326 -149.977 41.521 31.0141 31.9323 31.0139 102.181 GPRESSURE: 1758800 219.142 -122.113 -43.2587 -178.694 -4.89699 -19.2314 34.3048 46.9717 182.059 PRESSAVG: 1758800 80.8476 -50.3511 15.3735 -50.3511 -26.0765 39.0464 15.3735 39.0463 -21.0802 GPRESSAVG: 1758800 81.4338 -51.3759 13.5997 -49.2897 -26.3237 40.8411 16.3057 38.3558 -21.2321 TIMING: 1758800 CPU: 5106.43, 0.00288631/step Wall: 5106.43, 0.00288631/step, 2.59864 hours remaining, 206.394531 MB of memory in use. ENERGY: 1758800 730.5709 2031.9467 1962.3817 121.0799 -206325.4849 17894.9659 0.0000 0.0000 34424.0430 -149160.4968 300.6337 -183584.5398 -149061.6465 299.7056 97.7703 132.1013 556583.5761 11.2303 11.2927 PRESSURE: 1759000 -84.3949 53.5629 -24.1662 53.564 -46.2435 62.1206 -24.1662 62.1205 40.4847 GPRESSURE: 1759000 -119.257 77.0728 65.5173 57.8342 -32.8263 60.1071 16.8051 -3.06978 165.179 PRESSAVG: 1759000 38.3837 21.0403 20.5032 21.0402 -42.7702 -28.1894 20.5033 -28.1894 -25.1408 GPRESSAVG: 1759000 37.5976 23.3324 18.9646 20.0872 -41.8157 -27.8381 19.324 -29.6741 -25.9428 TIMING: 1759000 CPU: 5107, 0.00288162/step Wall: 5107, 0.00288162/step, 2.59426 hours remaining, 206.394531 MB of memory in use. ENERGY: 1759000 792.9753 2101.8336 1954.5802 117.1593 -206090.6273 17934.0191 0.0000 0.0000 34187.6782 -149002.3815 298.5695 -183190.0598 -148906.9391 299.7990 -30.0512 4.3653 558643.7126 -9.8424 -10.0536 PRESSURE: 1759200 -83.9815 123.949 -107.348 123.949 -35.2084 -27.8664 -107.346 -27.8675 190.25 GPRESSURE: 1759200 -55.399 96.7304 -98.587 103.924 4.61515 43.2524 -1.48652 40.417 221.761 PRESSAVG: 1759200 7.21221 -20.162 4.25821 -20.162 0.714936 16.1766 4.25826 16.1767 17.1962 GPRESSAVG: 1759200 7.07379 -20.6146 5.18689 -20.7717 -0.359267 15.0976 5.17992 18.667 18.0121 TIMING: 1759200 CPU: 5107.58, 0.00288311/step Wall: 5107.58, 0.00288311/step, 2.59544 hours remaining, 206.394531 MB of memory in use. ENERGY: 1759200 729.1555 2105.6943 1990.5841 113.8176 -206127.7821 17751.6396 0.0000 0.0000 34460.4373 -148976.4537 300.9516 -183436.8910 -148878.0334 300.3084 23.6866 56.9924 557413.0715 8.3744 8.2422 PRESSURE: 1759400 270.663 -109.342 -170.096 -109.342 -75.9057 -73.2357 -170.095 -73.2352 116.265 GPRESSURE: 1759400 276.037 8.98967 -188.989 -176.479 -50.4613 -136.767 -221.853 -1.292 187.669 PRESSAVG: 1759400 -40.2407 -18.5974 24.9238 -18.5974 -66.9145 21.9994 24.9238 21.9994 68.1335 GPRESSAVG: 1759400 -40.8669 -17.3637 26.4508 -18.0205 -66.8069 23.3495 23.5499 21.2961 68.7557 TIMING: 1759400 CPU: 5108.16, 0.00289269/step Wall: 5108.16, 0.00289269/step, 2.6039 hours remaining, 206.394531 MB of memory in use. ENERGY: 1759400 727.8566 2069.1887 1982.7463 123.3073 -206079.4231 17920.4027 0.0000 0.0000 34395.1156 -148860.8059 300.3811 -183255.9215 -148764.9571 299.7242 103.6744 137.7480 557769.7986 -13.0072 -12.9727 PRESSURE: 1759600 -50.124 100.064 -61.8541 100.066 -152.488 -61.2278 -61.8541 -61.2272 -6.63266 GPRESSURE: 1759600 -23.4082 16.8628 -33.227 117.988 -69.0327 -107.18 -102.948 -65.3649 -12.9885 PRESSAVG: 1759600 26.8622 32.2767 45.6439 32.2768 -98.4412 -3.86542 45.6439 -3.8655 35.7417 GPRESSAVG: 1759600 26.0684 31.3716 44.898 33.2676 -97.3315 -5.829 44.2559 -3.12944 35.2558 TIMING: 1759600 CPU: 5108.74, 0.00289089/step Wall: 5108.74, 0.00289089/step, 2.60212 hours remaining, 206.394531 MB of memory in use. ENERGY: 1759600 721.0507 2051.4400 1988.7948 124.0196 -205953.7150 17587.9270 0.0000 0.0000 34364.3577 -149116.1252 300.1125 -183480.4829 -149026.8155 299.9689 -69.7481 -35.1432 558678.4427 -11.9457 -12.0024 PRESSURE: 1759800 -180.599 15.5216 -3.0611 15.5232 -28.639 -34.4346 -3.06188 -34.4337 -189.54 GPRESSURE: 1759800 -95.245 -89.6357 -62.1888 112.626 -70.3283 4.09386 40.3149 -5.5942 -136.945 PRESSAVG: 1759800 -28.665 -13.1504 3.51131 -13.1505 23.3393 -29.1784 3.51136 -29.1782 -41.9654 GPRESSAVG: 1759800 -26.763 -14.5881 3.50727 -13.5534 22.1148 -26.7393 6.12415 -30.3191 -42.7194 TIMING: 1759800 CPU: 5109.32, 0.00289274/step Wall: 5109.32, 0.00289274/step, 2.60363 hours remaining, 206.433594 MB of memory in use. ENERGY: 1759800 797.0749 2087.9017 1965.2432 117.4415 -206536.2307 17970.5251 0.0000 0.0000 34361.7231 -149236.3212 300.0895 -183598.0443 -149135.4515 299.4855 -132.9260 -100.8393 557322.0265 -15.7637 -15.7892 PRESSURE: 1760000 300.489 -55.2014 -158.367 -55.2014 -41.9137 79.2687 -158.366 79.2697 3.3099 GPRESSURE: 1760000 334.383 49.6601 -150.75 -126.743 -0.914068 167.301 -160.934 -44.7145 31.3462 PRESSAVG: 1760000 -34.6405 -4.64151 -40.6349 -4.64155 98.8131 -39.2432 -40.6349 -39.2431 6.95645 GPRESSAVG: 1760000 -35.2489 -2.2608 -40.1744 -5.71553 99.3478 -40.4902 -41.1246 -40.4755 7.36639 TIMING: 1760000 CPU: 5109.9, 0.00289371/step Wall: 5109.9, 0.00289371/step, 2.60434 hours remaining, 206.433594 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: 1760000 769.8791 2086.2148 1955.9073 113.9606 -206616.3540 18040.7261 0.0000 0.0000 34361.1651 -149288.5011 300.0846 -183649.6662 -149187.9074 299.9453 87.2950 121.6050 554899.9786 23.7097 23.8218 PRESSURE: 1760200 -87.0044 -56.9719 -114.49 -56.9714 -2.28144 85.1632 -114.49 85.1619 -194.725 GPRESSURE: 1760200 -59.8473 -23.8557 -54.6908 54.8157 40.3009 121.334 -45.7049 36.936 -170.964 PRESSAVG: 1760200 64.0582 -41.7109 -14.8211 -41.711 59.9642 11.6415 -14.8211 11.6416 -90.8534 GPRESSAVG: 1760200 64.2588 -43.5526 -14.2645 -39.7945 58.8201 10.3125 -15.2401 11.7661 -90.1305 TIMING: 1760200 CPU: 5110.47, 0.00288635/step Wall: 5110.47, 0.00288635/step, 2.59755 hours remaining, 206.433594 MB of memory in use. ENERGY: 1760200 688.0149 2081.1805 1969.7350 116.4041 -206276.0407 17719.6583 0.0000 0.0000 34327.4197 -149373.6281 299.7899 -183701.0478 -149280.0843 299.1929 -94.6702 -63.5033 557430.2515 11.0563 10.9828 LDB: ============= START OF LOAD BALANCING ============== 5113.94 LDB: ============== END OF LOAD BALANCING =============== 5113.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5113.94 LDB: ============= START OF LOAD BALANCING ============== 5114.23 LDB: Largest compute 4821 load 0.031178 is 26.5% of average load 0.117674 LDB: Average compute 0.001730 is 1.5% of average load 0.117674 LDB: TIME 5114.23 LOAD: AVG 0.117674 MAX 0.177061 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5114.23 LOAD: AVG 0.117674 MAX 0.177061 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: TIME 5114.23 LOAD: AVG 0.117674 MAX 0.177061 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.43 MB LDB: ============== END OF LOAD BALANCING =============== 5114.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5114.23 PRESSURE: 1760400 432.61 32.5519 -75.3189 32.5524 118.023 43.4661 -75.3204 43.4679 236.496 GPRESSURE: 1760400 424.259 41.0459 -46.215 26.7043 201.931 23.8074 -98.9366 41.4715 263.471 PRESSAVG: 1760400 12.4758 -14.2975 -26.2006 -14.2976 8.22985 28.0899 -26.2005 28.09 -45.3343 GPRESSAVG: 1760400 13.0775 -12.9047 -26.3061 -15.3515 9.46199 26.8249 -26.628 30.2949 -46.8939 TIMING: 1760400 CPU: 5111.06, 0.00293325/step Wall: 5111.06, 0.00293325/step, 2.6396 hours remaining, 206.500000 MB of memory in use. ENERGY: 1760400 760.2292 2079.0806 1954.6396 124.5269 -206701.6561 18262.6573 0.0000 0.0000 34190.4046 -149330.1180 298.5933 -183520.5226 -149231.8334 299.1549 262.3764 296.5540 555860.3798 -8.2095 -8.1181 PRESSURE: 1760600 -91.4865 30.4539 34.5938 30.4532 -48.7263 -191.326 34.5947 -191.327 58.2043 GPRESSURE: 1760600 -32.1508 34.9397 78.4928 45.927 -25.5516 -148.12 19.0469 -259.699 67.5723 PRESSAVG: 1760600 -14.2177 -13.3539 27.8762 -13.3539 -25.8516 16.097 27.8762 16.0971 53.0657 GPRESSAVG: 1760600 -14.8938 -13.6356 26.2 -13.5613 -26.4698 19.0426 28.3201 15.3444 54.4936 TIMING: 1760600 CPU: 5111.64, 0.00289842/step Wall: 5111.64, 0.00289842/step, 2.6081 hours remaining, 206.550781 MB of memory in use. ENERGY: 1760600 724.2362 2114.0660 1967.2888 113.0391 -206245.7390 17672.1906 0.0000 0.0000 34338.3497 -149316.5686 299.8853 -183654.9183 -149225.6604 298.3871 -27.3362 3.2899 555370.1441 4.3321 4.3766 PRESSURE: 1760800 28.9251 135.811 24.7462 135.81 70.3702 -0.218344 24.7453 -0.219808 102.808 GPRESSURE: 1760800 55.321 89.7165 -13.0294 101.998 80.1518 74.8799 108.039 24.7566 168.405 PRESSAVG: 1760800 -44.2958 23.6451 18.2706 23.6451 -14.3127 -69.802 18.2706 -69.8019 9.94369 GPRESSAVG: 1760800 -45.2204 24.4536 18.3522 24.011 -13.1089 -70.7205 17.7867 -70.9929 9.76989 TIMING: 1760800 CPU: 5112.22, 0.00288497/step Wall: 5112.22, 0.00288497/step, 2.59584 hours remaining, 206.550781 MB of memory in use. ENERGY: 1760800 723.6017 2076.1309 1963.8073 115.4294 -206141.2426 17850.3491 0.0000 0.0000 34261.2186 -149150.7058 299.2117 -183411.9244 -149058.0022 298.8122 67.3678 101.2927 555760.9860 -16.2216 -16.1865 PRESSURE: 1761000 -52.4983 107.468 75.9563 107.469 -118.149 -52.4998 75.9547 -52.5006 -87.9269 GPRESSURE: 1761000 -11.334 117.384 31.1363 187.801 -95.0421 -103.545 78.3751 -1.58529 -55.361 PRESSAVG: 1761000 -23.2308 22.1664 -22.0901 22.1665 19.1726 -12.3536 -22.0902 -12.3536 0.569812 GPRESSAVG: 1761000 -22.7838 21.6194 -21.9155 22.3152 19.3901 -14.6374 -21.5331 -10.3635 -0.209688 TIMING: 1761000 CPU: 5112.79, 0.0028952/step Wall: 5112.79, 0.0028952/step, 2.60488 hours remaining, 206.550781 MB of memory in use. ENERGY: 1761000 755.7714 2122.9393 1954.6548 112.3569 -206341.2451 17846.4394 0.0000 0.0000 34348.5842 -149200.4990 299.9747 -183549.0832 -149110.6924 299.4462 -86.1915 -53.9124 556999.5202 -1.1628 -1.2011 PRESSURE: 1761200 -123.759 -113.979 40.7096 -113.98 17.5194 34.4057 40.7081 34.4045 59.026 GPRESSURE: 1761200 -66.0302 -109.773 110.639 -89.0373 26.3028 30.8727 -39.4593 55.0502 83.4998 PRESSAVG: 1761200 83.6345 41.5368 -2.59152 41.5367 8.17337 -11.8893 -2.59156 -11.8893 -10.0323 GPRESSAVG: 1761200 83.5013 41.7024 -2.37893 41.9227 7.43841 -12.1408 -3.59113 -13.8351 -9.32068 TIMING: 1761200 CPU: 5113.37, 0.00289898/step Wall: 5113.37, 0.00289898/step, 2.60812 hours remaining, 206.550781 MB of memory in use. ENERGY: 1761200 771.0021 2113.6175 1981.6980 111.6524 -206604.6714 18037.3514 0.0000 0.0000 34183.8117 -149405.5383 298.5357 -183589.3500 -149305.7999 299.8292 -15.7377 14.5908 556277.7508 27.2585 27.2063 PRESSURE: 1761400 254.497 -157.459 112.497 -157.46 128.337 68.7422 112.498 68.7446 -139.976 GPRESSURE: 1761400 272.177 -67.4267 155.682 -182.678 96.0282 -9.53461 29.3086 118.398 -36.2987 PRESSAVG: 1761400 -46.4899 -46.8808 0.197291 -46.8808 22.5077 7.71648 0.197249 7.71671 7.53796 GPRESSAVG: 1761400 -45.7634 -47.9496 0.971743 -47.6348 21.0044 10.1994 0.438969 7.2779 8.84302 TIMING: 1761400 CPU: 5113.95, 0.00288857/step Wall: 5113.95, 0.00288857/step, 2.59859 hours remaining, 206.550781 MB of memory in use. ENERGY: 1761400 782.7120 2083.7148 1970.8021 122.0628 -206195.2227 17919.9643 0.0000 0.0000 34097.8074 -149218.1594 297.7846 -183315.9667 -149123.9859 299.1208 80.9529 110.6354 557234.2440 -5.4814 -5.3053 PRESSURE: 1761600 -41.0824 154.383 108.636 154.384 -174.332 -131.743 108.636 -131.742 -289.714 GPRESSURE: 1761600 -7.37885 164.841 4.57552 98.1484 -206.049 -191.667 185.462 -127.987 -199.794 PRESSAVG: 1761600 1.36113 -17.687 24.8117 -17.6871 -20.6714 -10.7604 24.8118 -10.7604 38.2664 GPRESSAVG: 1761600 0.152641 -15.7869 27.0071 -20.0281 -18.561 -10.649 23.5312 -10.4518 37.4354 TIMING: 1761600 CPU: 5114.53, 0.00289696/step Wall: 5114.53, 0.00289696/step, 2.60597 hours remaining, 206.550781 MB of memory in use. ENERGY: 1761600 803.7906 2117.5897 1986.2624 122.5760 -206038.4061 17552.3127 0.0000 0.0000 34341.6200 -149114.2545 299.9139 -183455.8745 -149022.4340 299.8629 -168.3761 -137.7406 556521.6691 6.3187 6.3423 PRESSURE: 1761800 47.5804 138.282 136.329 138.282 -111.232 -69.538 136.329 -69.539 -251.356 GPRESSURE: 1761800 41.9695 85.4019 201.932 24.8411 -122.973 -137.177 205.671 -24.9331 -150.448 PRESSAVG: 1761800 74.7347 11.0561 -24.1996 11.0562 -107.135 -23.2382 -24.1996 -23.2381 43.3413 GPRESSAVG: 1761800 75.7262 9.42186 -25.9652 14.8217 -107.547 -23.1524 -25.5502 -23.2503 42.6645 TIMING: 1761800 CPU: 5115.11, 0.00288727/step Wall: 5115.11, 0.00288727/step, 2.5971 hours remaining, 206.550781 MB of memory in use. ENERGY: 1761800 752.2270 2119.9189 1966.1516 112.0304 -205988.8785 17668.8520 0.0000 0.0000 34296.4097 -149073.2889 299.5191 -183369.6987 -148979.6014 299.6976 -105.0024 -77.1508 557385.5451 3.6470 3.6147 PRESSURE: 1762000 152.777 -68.5318 117.468 -68.5327 221.899 51.0696 117.468 51.0691 165.084 GPRESSURE: 1762000 207.643 -25.9347 124.956 -123.733 272.004 -7.31964 117.906 29.2659 159.022 PRESSAVG: 1762000 -11.9056 -3.4346 -0.486333 -3.43451 70.3467 -48.0524 -0.486347 -48.0523 -38.211 GPRESSAVG: 1762000 -11.726 -3.84719 -1.32514 -5.60895 69.9281 -47.7833 1.67491 -48.7936 -37.8258 TIMING: 1762000 CPU: 5115.68, 0.00287832/step Wall: 5115.68, 0.00287832/step, 2.58889 hours remaining, 206.550781 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: 1762000 753.2280 2119.5105 1954.6783 114.2527 -206437.0384 18058.5165 0.0000 0.0000 34353.1373 -149083.7151 300.0145 -183436.8523 -148981.7190 299.1207 179.9203 212.8899 556858.1746 6.7434 6.7921 PRESSURE: 1762200 13.1232 126.745 -41.5544 126.744 210.282 124.02 -41.553 124.021 -179.98 GPRESSURE: 1762200 64.202 89.0073 -43.8316 156.053 212.446 100.96 -80.8983 135.589 -130.773 PRESSAVG: 1762200 -6.4879 -57.5407 10.594 -57.5407 84.4435 -40.0407 10.5941 -40.0407 -66.5378 GPRESSAVG: 1762200 -6.43523 -58.3243 11.9331 -55.8133 84.7874 -41.7892 12.5139 -38.6833 -66.7263 TIMING: 1762200 CPU: 5116.26, 0.00289391/step Wall: 5116.26, 0.00289391/step, 2.60275 hours remaining, 206.550781 MB of memory in use. ENERGY: 1762200 750.2884 2134.3027 1963.6121 104.0963 -206119.8584 17865.9121 0.0000 0.0000 34193.3089 -149108.3379 298.6187 -183301.6468 -149008.9937 299.6637 14.4748 48.6251 558128.3485 3.8060 3.8753 PRESSURE: 1762400 -34.677 112.281 -64.2527 112.283 -134.644 99.3368 -64.2534 99.3365 143.649 GPRESSURE: 1762400 -39.3476 110.385 -99.576 73.6669 -90.3057 128.699 -34.106 122.619 204.026 PRESSAVG: 1762400 -15.0258 -1.33073 -46.2141 -1.33066 44.6741 -0.239157 -46.214 -0.239124 -46.3225 GPRESSAVG: 1762400 -15.6066 -0.669714 -46.8469 -1.93705 45.2121 0.0949546 -46.7507 0.14345 -46.4852 TIMING: 1762400 CPU: 5116.84, 0.00288703/step Wall: 5116.84, 0.00288703/step, 2.5964 hours remaining, 206.550781 MB of memory in use. ENERGY: 1762400 791.4966 2059.3943 1941.4458 110.4837 -206353.4582 17955.6904 0.0000 0.0000 34388.0248 -149106.9225 300.3192 -183494.9474 -149011.2287 299.3671 -8.5576 24.7910 557138.0430 -5.5580 -5.6266 PRESSURE: 1762600 -46.2776 47.5686 -184.626 47.5672 187.332 46.3218 -184.626 46.3225 -63.7902 GPRESSURE: 1762600 4.58823 -16.4428 -133.967 83.1784 197.055 46.4644 -280.133 26.0106 -33.7952 PRESSAVG: 1762600 -18.0955 31.9748 -85.1197 31.9749 5.20789 29.9379 -85.1197 29.9378 -63.8248 GPRESSAVG: 1762600 -18.1931 33.5626 -84.1097 31.1329 5.08098 31.4306 -86.902 28.9396 -63.7994 TIMING: 1762600 CPU: 5117.41, 0.00286321/step Wall: 5117.41, 0.00286321/step, 2.57482 hours remaining, 206.550781 MB of memory in use. ENERGY: 1762600 721.2523 2102.3923 1971.2919 125.4184 -206099.4995 17864.7282 0.0000 0.0000 34232.4248 -149081.9917 298.9603 -183314.4165 -148984.4237 299.6556 25.7547 55.9495 556977.9103 -25.5708 -25.6372 PRESSURE: 1762800 157.979 89.6043 -88.8444 89.6022 19.5995 -91.3968 -88.8423 -91.3968 52.0042 GPRESSURE: 1762800 215.958 112.458 -17.8245 71.5468 84.8593 -122.871 -145.476 -141.286 19.6081 PRESSAVG: 1762800 -0.603415 -0.905115 -18.2146 -0.905141 62.1595 -42.774 -18.2147 -42.7741 -37.138 GPRESSAVG: 1762800 0.866487 -1.39685 -17.0024 -1.59058 61.5806 -44.8619 -18.9524 -42.6069 -37.9108 TIMING: 1762800 CPU: 5117.99, 0.00287108/step Wall: 5117.99, 0.00287108/step, 2.58174 hours remaining, 206.550781 MB of memory in use. ENERGY: 1762800 765.3925 2047.9311 1957.2465 127.8994 -205919.0196 17836.3556 0.0000 0.0000 34086.0468 -149098.1478 297.6819 -183184.1946 -149006.4544 299.5608 76.5275 106.8086 558074.5731 8.1393 8.1788 PRESSURE: 1763000 178.206 26.273 -184.52 26.2739 18.5973 70.3023 -184.52 70.3031 -55.6468 GPRESSURE: 1763000 174.667 71.3599 -110.373 -40.4522 80.5564 121.93 -241.997 32.7968 -7.18085 PRESSAVG: 1763000 -38.0438 13.0539 -44.6525 13.0538 -0.42932 -28.2438 -44.6526 -28.2438 -18.8761 GPRESSAVG: 1763000 -38.9969 12.7296 -45.0696 13.5397 -1.07585 -26.303 -42.1049 -27.9821 -17.439 TIMING: 1763000 CPU: 5118.57, 0.00290712/step Wall: 5118.57, 0.00290712/step, 2.61398 hours remaining, 206.550781 MB of memory in use. ENERGY: 1763000 744.2347 2088.4982 1973.9579 123.1810 -205805.8246 17659.6492 0.0000 0.0000 34131.9514 -149084.3522 298.0828 -183216.3036 -148988.1031 298.8933 47.0523 82.6808 556808.3144 -19.1164 -19.1706 PRESSURE: 1763200 173.744 0.157883 61.5138 0.157472 81.255 -98.2901 61.5135 -98.2908 123.574 GPRESSURE: 1763200 208.85 -42.808 4.63393 104.535 114.168 -73.6488 35.1402 -84.9267 148.283 PRESSAVG: 1763200 56.3076 -63.0203 -31.7777 -63.0203 26.5709 10.8114 -31.7777 10.8113 -21.9883 GPRESSAVG: 1763200 56.4151 -62.0517 -30.7655 -63.762 27.0685 8.7669 -34.0001 13.5725 -22.8827 TIMING: 1763200 CPU: 5119.15, 0.00288689/step Wall: 5119.15, 0.00288689/step, 2.59564 hours remaining, 206.550781 MB of memory in use. ENERGY: 1763200 745.3481 2088.8213 1969.4243 127.6832 -206142.3969 17944.8510 0.0000 0.0000 34301.1779 -148965.0911 299.5607 -183266.2689 -148874.8731 300.5295 126.1907 157.1005 557464.8610 20.2967 20.2003 PRESSURE: 1763400 33.8095 -68.3217 25.9195 -68.3217 104.987 -115.387 25.9193 -115.387 -46.0365 GPRESSURE: 1763400 83.8035 -4.14653 29.3242 -114.01 120.716 -101.405 -20.7864 -28.8402 -29.8046 PRESSAVG: 1763400 20.8361 -6.48564 -21.3282 -6.48557 -47.9329 -9.26473 -21.3282 -9.26481 21.4024 GPRESSAVG: 1763400 20.5318 -5.9709 -22.2092 -5.54349 -47.3006 -6.58806 -19.7675 -11.1594 20.8478 TIMING: 1763400 CPU: 5119.72, 0.00286651/step Wall: 5119.72, 0.00286651/step, 2.57715 hours remaining, 206.753906 MB of memory in use. ENERGY: 1763400 755.1963 2062.9729 1969.6877 124.4977 -205971.2724 17771.2965 0.0000 0.0000 34506.7489 -148780.8726 301.3560 -183287.6215 -148687.8607 300.4788 30.9201 58.2383 558070.7097 -1.8982 -1.9737 PRESSURE: 1763600 -79.4364 148.248 45.5833 148.248 171.961 189.444 45.5831 189.443 206.79 GPRESSURE: 1763600 -49.8548 63.1352 5.47285 146.287 209.355 125.773 70.021 210.777 241.693 PRESSAVG: 1763600 -39.9131 24.5589 -10.8494 24.5588 -32.4926 -13.7604 -10.8494 -13.7604 83.2925 GPRESSAVG: 1763600 -39.6306 22.7731 -12.4914 25.2574 -33.3627 -15.4451 -11.0284 -12.6086 83.9159 TIMING: 1763600 CPU: 5120.3, 0.00289325/step Wall: 5120.3, 0.00289325/step, 2.60103 hours remaining, 206.753906 MB of memory in use. ENERGY: 1763600 728.4963 2116.7173 1944.8723 114.5883 -206125.9328 17942.9380 0.0000 0.0000 34582.8004 -148695.5202 302.0202 -183278.3206 -148610.0023 301.2428 99.7716 133.7311 556613.7785 3.6289 3.6408 PRESSURE: 1763800 -9.15116 99.0884 -30.0623 99.088 232.098 22.4724 -30.0614 22.4732 82.3418 GPRESSURE: 1763800 60.3125 98.0087 -98.2371 54.9407 252.311 -15.3834 1.21016 15.1372 82.4974 PRESSAVG: 1763800 20.5122 4.04925 19.0295 4.04922 30.4248 47.8987 19.0295 47.8989 -3.22197 GPRESSAVG: 1763800 20.3301 5.10426 19.6445 3.71605 29.5306 47.7131 19.0512 46.2939 -2.70365 TIMING: 1763800 CPU: 5120.87, 0.00287712/step Wall: 5120.87, 0.00287712/step, 2.58637 hours remaining, 206.753906 MB of memory in use. ENERGY: 1763800 740.7986 2029.5351 1946.7316 113.2566 -206038.4400 17886.6992 0.0000 0.0000 34569.3155 -148752.1034 301.9024 -183321.4189 -148654.5348 300.8140 101.7628 131.7069 557420.2475 15.9050 15.7190 PRESSURE: 1764000 66.3437 45.9022 -213.812 45.9045 -443.011 -119.724 -213.811 -119.722 84.6336 GPRESSURE: 1764000 95.9958 39.9119 -147.091 37.4558 -358.22 -100.918 -186.962 -56.8191 77.3788 PRESSAVG: 1764000 16.4273 30.9981 -9.31828 30.9981 -8.23176 9.09183 -9.31828 9.09196 -5.44516 GPRESSAVG: 1764000 15.9773 29.557 -9.97514 30.6487 -5.9667 9.67162 -10.1177 9.14181 -6.86337 TIMING: 1764000 CPU: 5121.45, 0.00288004/step Wall: 5121.45, 0.00288004/step, 2.58884 hours remaining, 206.753906 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: 1764000 699.1143 2076.0542 1959.0112 123.3148 -205235.3862 17455.3899 0.0000 0.0000 34330.9467 -148591.5551 299.8207 -182922.5017 -148495.1748 300.7780 -97.3447 -61.6150 559563.5110 0.9168 1.0491 PRESSURE: 1764200 184.516 51.4794 -29.8927 51.4786 -88.9024 60.3029 -29.8921 60.3033 175.405 GPRESSURE: 1764200 187.563 56.4031 -138.733 22.6319 -21.7065 98.2045 10.4668 28.8168 185.501 PRESSAVG: 1764200 -96.3894 4.62564 42.8068 4.62569 -33.6284 -62.5288 42.8068 -62.5288 137.294 GPRESSAVG: 1764200 -96.6965 5.71979 44.7413 5.59964 -33.442 -64.5187 41.915 -62.8586 136.999 TIMING: 1764200 CPU: 5122.03, 0.00288018/step Wall: 5122.03, 0.00288018/step, 2.5888 hours remaining, 206.996094 MB of memory in use. ENERGY: 1764200 724.8840 2074.8824 1982.3865 102.7129 -205401.7245 17678.1377 0.0000 0.0000 34176.3082 -148662.4128 298.4702 -182838.7211 -148568.5142 300.8796 90.3398 117.1190 558129.1738 2.4255 2.2868 LDB: ============= START OF LOAD BALANCING ============== 5125.49 LDB: ============== END OF LOAD BALANCING =============== 5125.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5125.49 LDB: ============= START OF LOAD BALANCING ============== 5125.78 LDB: Largest compute 4821 load 0.030349 is 25.8% of average load 0.117631 LDB: Average compute 0.001718 is 1.5% of average load 0.117631 LDB: TIME 5125.79 LOAD: AVG 0.117631 MAX 0.178184 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.594 MB LDB: TIME 5125.79 LOAD: AVG 0.117631 MAX 0.178184 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.613 MB LDB: TIME 5125.79 LOAD: AVG 0.117631 MAX 0.178184 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.613 MB LDB: ============== END OF LOAD BALANCING =============== 5125.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5125.79 PRESSURE: 1764400 -21.2815 147.331 -27.2342 147.332 29.7042 -1.69357 -27.2325 -1.69187 -6.35134 GPRESSURE: 1764400 33.0548 139.791 53.1945 150.03 72.8504 9.32829 -42.5708 15.7176 -3.7434 PRESSAVG: 1764400 -18.9937 41.0533 -5.31065 41.0532 -51.331 -17.8253 -5.31069 -17.8253 66.6381 GPRESSAVG: 1764400 -18.5193 40.9918 -4.90859 37.6574 -52.3756 -17.4326 -4.46549 -15.3158 67.2009 TIMING: 1764400 CPU: 5122.62, 0.0029598/step Wall: 5122.62, 0.0029598/step, 2.66021 hours remaining, 206.132812 MB of memory in use. ENERGY: 1764400 714.2287 2047.2965 1946.1775 110.7594 -205506.7859 17637.5277 0.0000 0.0000 34307.5852 -148743.2108 299.6167 -183050.7960 -148638.7457 300.4168 0.6904 34.0539 559186.4304 -1.2289 -1.2313 PRESSURE: 1764600 -157.011 -163.03 -18.1964 -163.03 -61.8121 -3.5284 -18.1954 -3.52891 157.618 GPRESSURE: 1764600 -118.885 -156.912 -81.151 -134.314 -42.1231 37.5678 20.8767 29.0267 189.471 PRESSAVG: 1764600 17.8723 19.6904 2.36279 19.6904 -69.4168 -39.6485 2.36284 -39.6485 22.5584 GPRESSAVG: 1764600 17.779 20.2152 1.63546 23.6699 -69.639 -37.2423 1.79312 -41.7123 23.3583 TIMING: 1764600 CPU: 5123.2, 0.00290697/step Wall: 5123.2, 0.00290697/step, 2.61256 hours remaining, 206.203125 MB of memory in use. ENERGY: 1764600 703.5936 2063.3754 1970.6849 117.1087 -205602.4683 17596.1600 0.0000 0.0000 34339.6599 -148811.8858 299.8968 -183151.5457 -148718.7018 299.9827 -20.4015 9.4876 558383.1748 -9.6620 -9.5006 PRESSURE: 1764800 -18.3985 -119.285 -289.102 -119.284 -259.043 8.72592 -289.102 8.72477 -357.34 GPRESSURE: 1764800 45.9483 -98.4753 -327.62 -199.477 -268.954 -48.52 -229.675 29.4153 -311.108 PRESSAVG: 1764800 68.0671 0.361417 -22.7467 0.361429 -1.50603 4.76681 -22.7468 4.76681 -36.0259 GPRESSAVG: 1764800 68.6645 -0.777242 -23.879 -1.53849 -1.2452 4.4317 -20.9442 3.52369 -36.885 TIMING: 1764800 CPU: 5123.78, 0.002918/step Wall: 5123.78, 0.002918/step, 2.62231 hours remaining, 206.406250 MB of memory in use. ENERGY: 1764800 751.9430 2098.0089 1981.3502 116.3390 -205577.1237 17544.1719 0.0000 0.0000 34143.8055 -148941.5051 298.1863 -183085.3106 -148847.2294 299.6675 -211.5937 -178.0380 558606.1089 10.1784 10.1781 PRESSURE: 1765000 -89.6138 74.8659 131.156 74.8658 -20.7702 -9.64187 131.157 -9.64232 123.6 GPRESSURE: 1765000 -80.42 -16.2768 79.6712 60.6557 37.3588 -48.3426 131.437 46.7928 160.588 PRESSAVG: 1765000 27.232 19.0734 -45.3245 19.0734 -12.0676 43.9332 -45.3245 43.9331 -39.4196 GPRESSAVG: 1765000 27.6904 19.2227 -44.625 18.5965 -11.5188 43.4874 -46.6292 45.5642 -39.9528 TIMING: 1765000 CPU: 5124.37, 0.00291055/step Wall: 5124.37, 0.00291055/step, 2.61545 hours remaining, 206.406250 MB of memory in use. ENERGY: 1765000 746.2187 2107.5182 1977.2323 114.3596 -205932.0263 17803.2115 0.0000 0.0000 34252.3090 -148931.1770 299.1339 -183183.4859 -148837.5453 299.8310 4.4052 39.1755 560815.4418 -8.0851 -7.9271 PRESSURE: 1765200 115.034 102.559 109.091 102.559 34.9669 -81.9245 109.092 -81.9227 20.6953 GPRESSURE: 1765200 161.785 56.04 121.008 125.203 26.025 -85.4649 18.8184 -116.075 64.2878 PRESSAVG: 1765200 11.0727 27.517 48.7133 27.517 -8.83069 20.2889 48.7133 20.2889 -8.63248 GPRESSAVG: 1765200 9.76428 27.0312 47.5107 28.6855 -9.1199 21.8732 50.4015 18.7684 -7.37477 TIMING: 1765200 CPU: 5124.94, 0.00289338/step Wall: 5124.94, 0.00289338/step, 2.59987 hours remaining, 206.406250 MB of memory in use. ENERGY: 1765200 710.1329 2068.1481 1957.0312 111.4240 -205878.1546 17831.6387 0.0000 0.0000 34203.4376 -148996.3420 298.7071 -183199.7796 -148902.1386 299.6115 56.8988 84.0327 558340.1063 -2.1302 -2.2435 PRESSURE: 1765400 133.296 -83.825 -19.1301 -83.8251 483.881 160.232 -19.13 160.231 73.5766 GPRESSURE: 1765400 147.64 -153.87 -17.6776 -70.5399 500.242 153.977 44.6389 120.184 133.729 PRESSAVG: 1765400 -15.8066 -51.3023 42.7903 -51.3024 -16.4272 26.1093 42.7903 26.1091 14.9488 GPRESSAVG: 1765400 -14.7886 -52.771 44.0352 -50.6105 -17.5457 23.3146 41.7137 29.7502 14.9368 TIMING: 1765400 CPU: 5125.52, 0.00290248/step Wall: 5125.52, 0.00290248/step, 2.60788 hours remaining, 206.406250 MB of memory in use. ENERGY: 1765400 698.8177 2065.8078 1968.8889 108.4561 -205992.9721 18093.1713 0.0000 0.0000 34329.3214 -148728.5090 299.8065 -183057.8304 -148634.1590 299.8778 230.2510 260.5368 558388.3340 -5.7617 -5.7992 PRESSURE: 1765600 5.67051 -39.377 13.7238 -39.376 56.7236 -3.02948 13.7251 -3.03044 51.629 GPRESSURE: 1765600 96.3787 -14.6922 -2.75815 -43.6134 57.0377 -7.39168 -5.99583 11.9942 60.4363 PRESSAVG: 1765600 -60.8038 -49.1738 21.0904 -49.1737 12.7005 56.4748 21.0904 56.4746 28.2546 GPRESSAVG: 1765600 -59.7941 -45.7422 21.2161 -51.328 12.3212 56.8264 20.1835 55.2301 27.7253 TIMING: 1765600 CPU: 5126.1, 0.00289563/step Wall: 5126.1, 0.00289563/step, 2.60156 hours remaining, 206.406250 MB of memory in use. ENERGY: 1765600 753.7228 2066.8477 1952.0672 125.1666 -206029.9179 17889.4027 0.0000 0.0000 34371.2430 -148871.4679 300.1726 -183242.7110 -148785.5234 299.9091 38.0077 71.2843 557100.6479 -6.6162 -6.5825 PRESSURE: 1765800 168.782 59.6644 92.8162 59.6647 55.8838 293.837 92.8162 293.837 106.135 GPRESSURE: 1765800 171.217 69.4663 88.503 132.932 67.9509 306.782 -44.1319 245.973 187.514 PRESSAVG: 1765800 9.35607 -9.24169 58.058 -9.2417 40.2389 40.9826 58.0582 40.9826 -29.1537 GPRESSAVG: 1765800 8.38965 -10.1904 55.7198 -6.26865 41.5939 40.6661 59.3584 40.2521 -29.3431 TIMING: 1765800 CPU: 5126.68, 0.00289532/step Wall: 5126.68, 0.00289531/step, 2.60112 hours remaining, 206.406250 MB of memory in use. ENERGY: 1765800 734.8150 2081.9164 1963.1401 128.5448 -206002.5424 17974.4588 0.0000 0.0000 34307.2673 -148812.4001 299.6139 -183119.6674 -148713.4585 300.3696 110.2669 142.2275 557787.7727 6.8137 6.8802 PRESSURE: 1766000 116.589 -125.634 -20.1201 -125.634 234.879 38.5189 -20.1204 38.5208 -219.587 GPRESSURE: 1766000 132.866 -134.634 -8.99827 -121.571 254.656 49.6928 -23.031 52.8984 -163.809 PRESSAVG: 1766000 -32.6584 46.3586 11.7231 46.3587 70.1533 69.9801 11.7231 69.98 -52.604 GPRESSAVG: 1766000 -31.9036 45.9187 13.7784 46.0771 69.6764 70.4022 11.3835 70.5505 -53.0466 TIMING: 1766000 CPU: 5127.26, 0.00290044/step Wall: 5127.26, 0.00290044/step, 2.60556 hours remaining, 206.406250 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: 1766000 740.2288 2137.1768 1957.9142 112.5681 -206056.3842 17870.0586 0.0000 0.0000 34361.5464 -148876.8913 300.0879 -183238.4378 -148777.7059 299.6332 43.9603 74.5710 559029.9097 -5.0364 -5.0913 PRESSURE: 1766200 -62.5247 -20.4885 -72.4534 -20.4889 58.7507 -12.1565 -72.4529 -12.1561 -70.6793 GPRESSURE: 1766200 -21.5996 -55.2769 -81.8011 24.5862 63.7425 -88.3979 -65.5567 5.5051 -37.5105 PRESSAVG: 1766200 3.17646 -35.7433 13.4011 -35.7433 76.9848 36.9628 13.4011 36.9627 1.20834 GPRESSAVG: 1766200 3.35583 -34.6296 14.2543 -38.8867 76.9492 37.7422 11.9801 35.0305 1.04536 TIMING: 1766200 CPU: 5127.84, 0.00287888/step Wall: 5127.84, 0.00287888/step, 2.58603 hours remaining, 206.406250 MB of memory in use. ENERGY: 1766200 730.9262 2114.4435 1987.7987 106.7217 -206260.7361 17835.4378 0.0000 0.0000 34594.9516 -148890.4565 302.1263 -183485.4081 -148791.2622 300.2925 -24.8178 1.5442 558079.6568 27.1232 27.1168 PRESSURE: 1766400 -38.9738 28.406 -0.286694 28.4054 122.271 123.182 -0.286701 123.183 19.2716 GPRESSURE: 1766400 13.4434 -73.5177 -17.0143 37.5695 157.808 134.128 82.1109 69.4532 23.7739 PRESSAVG: 1766400 4.48407 -30.3791 21.6802 -30.379 -2.28044 8.69536 21.6802 8.69532 -25.6926 GPRESSAVG: 1766400 3.58135 -33.5006 21.1135 -26.9034 -2.62107 8.72412 22.0818 10.843 -24.1993 TIMING: 1766400 CPU: 5128.42, 0.00289365/step Wall: 5128.42, 0.00289365/step, 2.59914 hours remaining, 206.406250 MB of memory in use. ENERGY: 1766400 748.4728 2102.5801 1937.0840 117.3152 -205908.1366 17701.4552 0.0000 0.0000 34459.0370 -148842.1921 300.9393 -183301.2292 -148747.4582 300.6305 34.1896 65.0085 557169.4876 -7.8297 -7.7463 PRESSURE: 1766600 -152.691 10.2473 41.8929 10.2473 -25.8004 88.6011 41.8924 88.6018 -154.512 GPRESSURE: 1766600 -173.137 69.164 38.6867 -29.2468 12.7772 78.2813 44.7273 30.803 -96.5148 PRESSAVG: 1766600 15.9699 -8.1016 22.3058 -8.10153 -0.710602 48.4376 22.3059 48.4375 7.62766 GPRESSAVG: 1766600 16.4132 -4.37878 20.7991 -10.3846 -1.49343 47.4834 23.3373 49.0881 7.48653 TIMING: 1766600 CPU: 5129, 0.00289097/step Wall: 5129, 0.00289097/step, 2.59657 hours remaining, 206.406250 MB of memory in use. ENERGY: 1766600 734.2952 2080.0778 1977.1640 126.2434 -205875.6977 17596.2012 0.0000 0.0000 34414.4074 -148947.3087 300.5496 -183361.7161 -148840.2968 299.9160 -111.0012 -85.6250 557859.6049 7.6290 7.4688 PRESSURE: 1766800 8.98028 -50.775 -45.1723 -50.7767 56.1136 51.7638 -45.1734 51.7641 72.2716 GPRESSURE: 1766800 3.97712 -59.7401 -35.5361 10.3288 125.455 -11.8398 11.9296 93.6402 95.205 PRESSAVG: 1766800 -52.6812 -9.73773 24.9932 -9.73779 15.1217 34.2362 24.9932 34.2361 25.6043 GPRESSAVG: 1766800 -53.0468 -10.4686 27.4153 -8.56592 15.9708 33.5438 23.5056 34.155 25.4283 TIMING: 1766800 CPU: 5129.57, 0.00288561/step Wall: 5129.57, 0.00288561/step, 2.5916 hours remaining, 206.406250 MB of memory in use. ENERGY: 1766800 728.0933 2101.1399 1947.9138 127.5213 -206174.7829 17780.1846 0.0000 0.0000 34329.9491 -149159.9809 299.8120 -183489.9299 -149055.3228 299.4337 45.7885 74.8791 556313.3486 -3.9851 -3.8826 PRESSURE: 1767000 -173.903 -79.2981 10.8932 -79.2972 16.0659 94.4403 10.8932 94.4391 -225.062 GPRESSURE: 1767000 -141.052 -28.7771 17.3218 -76.1748 34.1868 172.102 -85.3634 93.4731 -183.613 PRESSAVG: 1767000 -14.6198 -0.623143 5.846 -0.623225 -1.67903 16.6591 5.84599 16.6592 -71.4123 GPRESSAVG: 1767000 -14.1356 -0.771576 5.42979 -0.183474 -2.2195 16.9522 6.29013 16.7247 -71.916 TIMING: 1767000 CPU: 5130.15, 0.00289187/step Wall: 5130.15, 0.00289187/step, 2.59706 hours remaining, 206.406250 MB of memory in use. ENERGY: 1767000 757.0739 2073.9930 1966.6753 130.4661 -205972.6127 17703.7465 0.0000 0.0000 34217.9867 -149122.6711 298.8342 -183340.6577 -149028.0519 299.5647 -127.6331 -96.8261 558085.3889 -29.2370 -29.4237 PRESSURE: 1767200 -136.801 -25.9378 241.411 -25.9382 -418.214 -9.55757 241.411 -9.55689 -126.789 GPRESSURE: 1767200 -137.864 -39.8244 179.227 -51.6198 -325.113 -9.84944 252.885 70.3988 -118.18 PRESSAVG: 1767200 62.207 -5.46709 86.0701 -5.46705 16.6451 -6.3019 86.0701 -6.30187 -77.1346 GPRESSAVG: 1767200 61.4128 -7.835 83.409 -4.87481 18.5514 -4.10464 87.7186 -8.54579 -77.6647 TIMING: 1767200 CPU: 5130.73, 0.00291092/step Wall: 5130.73, 0.00291092/step, 2.61401 hours remaining, 206.406250 MB of memory in use. ENERGY: 1767200 772.6517 2068.9513 1979.7788 121.9203 -205615.7913 17371.5322 0.0000 0.0000 34271.9030 -149029.0541 299.3051 -183300.9571 -148935.8002 299.4204 -227.2682 -193.7189 558711.7612 0.5725 0.7665 PRESSURE: 1767400 -167.954 8.53078 -133.777 8.53313 -23.3705 -18.4223 -133.778 -18.4234 -165.408 GPRESSURE: 1767400 -69.1777 -33.1549 -150.768 28.4101 -20.126 15.1441 -20.2036 -143.331 -165.053 PRESSAVG: 1767400 -52.3046 49.7409 17.004 49.7408 52.5106 15.0661 17.0039 15.0661 35.5041 GPRESSAVG: 1767400 -51.7295 50.7506 18.7544 49.1659 51.6685 14.4272 16.6531 15.6667 36.2384 TIMING: 1767400 CPU: 5131.32, 0.0029349/step Wall: 5131.32, 0.0029349/step, 2.63538 hours remaining, 206.406250 MB of memory in use. ENERGY: 1767400 740.6362 2148.7767 1990.9177 115.1066 -205734.1842 17504.6559 0.0000 0.0000 34170.3538 -149063.7374 298.4182 -183234.0911 -148969.0053 299.7665 -118.9110 -84.7856 557002.7261 11.9034 12.0591 PRESSURE: 1767600 -211.155 99.2281 54.7512 99.2266 66.5275 57.1906 54.7502 57.1892 -185.661 GPRESSURE: 1767600 -152.239 41.8166 60.4993 110.579 47.6662 120.074 123.468 -4.78139 -137.743 PRESSAVG: 1767600 -24.3816 -0.431474 -12.0516 -0.431415 -5.92973 58.9626 -12.0516 58.9625 8.30449 GPRESSAVG: 1767600 -24.1323 0.174128 -13.2255 -2.04523 -6.12378 57.8774 -12.8839 59.2982 7.74365 TIMING: 1767600 CPU: 5131.9, 0.00291275/step Wall: 5131.9, 0.00291275/step, 2.61532 hours remaining, 206.406250 MB of memory in use. ENERGY: 1767600 762.5766 2069.1371 1942.4560 105.9076 -205664.7279 17500.1406 0.0000 0.0000 34267.6610 -149016.8491 299.2680 -183284.5101 -148918.4682 299.9740 -110.0961 -80.7718 556789.2777 -7.3356 -7.5041 PRESSURE: 1767800 261.71 31.2092 -64.0826 31.2091 266.322 54.4924 -64.081 54.4932 40.0652 GPRESSURE: 1767800 329.517 14.608 -18.0467 -9.50951 291.29 -5.99317 -102.272 138.791 48.6273 PRESSAVG: 1767800 69.4279 46.2284 40.7704 46.2284 18.0538 -8.31772 40.7704 -8.31768 -70.5956 GPRESSAVG: 1767800 68.8829 46.0747 41.4133 48.2669 17.8818 -7.45357 43.1768 -7.17115 -69.913 TIMING: 1767800 CPU: 5132.48, 0.0028905/step Wall: 5132.48, 0.0028905/step, 2.59518 hours remaining, 206.406250 MB of memory in use. ENERGY: 1767800 733.5086 2151.3192 1966.1570 133.3002 -206266.3556 17967.4658 0.0000 0.0000 34292.9066 -149021.6982 299.4885 -183314.6048 -148931.8232 299.6984 189.3658 223.1448 555900.0988 5.6287 5.6172 PRESSURE: 1768000 -78.6978 -18.5367 66.7037 -18.5378 -100.001 -15.3144 66.7048 -15.3144 -66.3204 GPRESSURE: 1768000 -44.5062 -12.0985 40.1042 -47.8641 -134.126 -20.447 119.729 -32.9548 38.0578 PRESSAVG: 1768000 -33.9318 17.1271 41.9334 17.1271 53.9646 -39.4923 41.9334 -39.4923 -13.4741 GPRESSAVG: 1768000 -33.5873 15.0273 40.8438 18.1111 52.5347 -40.4328 40.8416 -40.0916 -12.507 TIMING: 1768000 CPU: 5133.06, 0.00290321/step Wall: 5133.06, 0.00290321/step, 2.60644 hours remaining, 206.406250 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: 1768000 752.5647 2079.8011 1971.3018 122.0688 -205986.9466 17632.3191 0.0000 0.0000 34338.9056 -149089.9856 299.8902 -183428.8912 -148989.6495 299.9261 -81.6730 -46.8583 556855.2815 2.1862 2.1468 PRESSURE: 1768200 1.15649 -9.27021 51.8194 -9.27105 62.54 -90.8946 51.8193 -90.8933 53.4811 GPRESSURE: 1768200 39.8759 -55.4526 96.5208 21.2763 102.396 -74.2864 8.5405 -78.9288 73.4078 PRESSAVG: 1768200 -8.65846 -22.3743 20.3311 -22.3742 6.58031 -2.51257 20.3311 -2.51253 15.3447 GPRESSAVG: 1768200 -8.21153 -21.9502 18.0831 -23.3266 7.16979 -5.64657 20.6188 0.0840969 14.8935 TIMING: 1768200 CPU: 5133.64, 0.00290009/step Wall: 5133.64, 0.00290009/step, 2.60348 hours remaining, 206.406250 MB of memory in use. ENERGY: 1768200 788.7008 2085.7205 1960.3359 111.9845 -206143.3870 17820.6584 0.0000 0.0000 34307.0809 -149068.9059 299.6123 -183375.9868 -148975.4888 299.2272 39.0592 71.8932 556872.2258 4.4222 4.6172 LDB: ============= START OF LOAD BALANCING ============== 5137.11 LDB: ============== END OF LOAD BALANCING =============== 5137.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5137.11 LDB: ============= START OF LOAD BALANCING ============== 5137.4 LDB: Largest compute 4821 load 0.030929 is 26.3% of average load 0.117771 LDB: Average compute 0.001720 is 1.5% of average load 0.117771 LDB: TIME 5137.4 LOAD: AVG 0.117771 MAX 0.177427 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5137.4 LOAD: AVG 0.117771 MAX 0.177427 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: TIME 5137.4 LOAD: AVG 0.117771 MAX 0.177427 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5137.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5137.41 Info: useSync: 0 useProxySync: 0 PRESSURE: 1768400 1.36356 -71.4838 -2.2742 -71.4831 -79.2803 34.3939 -2.27329 34.3941 204.591 GPRESSURE: 1768400 -4.51805 -92.4631 -78.435 -14.3196 -23.6522 10.1968 17.6425 141.436 247.192 PRESSAVG: 1768400 12.2306 -32.764 2.46532 -32.764 -30.9179 61.3952 2.4653 61.3951 9.06329 GPRESSAVG: 1768400 11.9437 -30.6826 3.79769 -33.1161 -30.0536 64.2672 2.82824 58.6924 8.28836 TIMING: 1768400 CPU: 5134.23, 0.0029527/step Wall: 5134.23, 0.0029527/step, 2.65054 hours remaining, 206.410156 MB of memory in use. ENERGY: 1768400 728.7788 2146.8125 1966.3512 118.8279 -206323.0782 17918.1304 0.0000 0.0000 34410.4917 -149033.6857 300.5154 -183444.1774 -148947.7651 299.7214 42.2248 73.0073 557673.8940 -3.2080 -3.2739 PRESSURE: 1768600 -37.0475 14.965 -16.3382 14.9658 -134.785 145.275 -16.3383 145.276 26.279 GPRESSURE: 1768600 -15.4076 -57.8541 -58.9834 74.3136 -83.8199 145.049 15.3195 173.786 46.3905 PRESSAVG: 1768600 -15.6578 -41.7772 -22.6765 -41.7772 10.8278 66.7514 -22.6765 66.7514 32.8674 GPRESSAVG: 1768600 -16.439 -41.9212 -20.7187 -40.7046 10.8419 68.4572 -23.0037 66.7667 33.5511 TIMING: 1768600 CPU: 5134.81, 0.00288122/step Wall: 5134.81, 0.00288122/step, 2.58622 hours remaining, 206.449219 MB of memory in use. ENERGY: 1768600 805.1133 2058.3800 1993.6032 113.2852 -206238.1853 17779.6604 0.0000 0.0000 34519.1342 -148969.0090 301.4642 -183488.1433 -148869.7471 299.8638 -48.5179 -17.6123 556516.1106 9.3458 9.3180 PRESSURE: 1768800 101.715 -20.442 -59.9426 -20.4417 -40.7593 29.5237 -59.9405 29.5259 22.459 GPRESSURE: 1768800 111.857 25.5896 55.2478 -71.4641 -9.15521 104.311 -76.148 -0.847267 83.7987 PRESSAVG: 1768800 -21.2345 17.0659 52.8195 17.0659 -3.92313 33.2753 52.8195 33.2754 11.4259 GPRESSAVG: 1768800 -20.7319 16.1271 53.1768 16.9339 -3.36346 32.9162 52.7647 31.1347 10.574 TIMING: 1768800 CPU: 5135.39, 0.0029007/step Wall: 5135.39, 0.0029007/step, 2.60354 hours remaining, 206.449219 MB of memory in use. ENERGY: 1768800 759.6499 2109.2685 1977.9129 126.6356 -206377.7382 17850.4481 0.0000 0.0000 34400.0373 -149153.7860 300.4241 -183553.8232 -149053.4200 300.0386 27.8048 62.1667 555876.9201 -4.5773 -4.5071 PRESSURE: 1769000 372.825 86.8612 -102.723 86.8604 283.283 38.8353 -102.722 38.8349 182.779 GPRESSURE: 1769000 404.317 124.41 -111.831 2.13018 309.272 71.8563 -140.082 13.202 230.278 PRESSAVG: 1769000 28.815 92.478 -17.506 92.478 -4.06326 15.3728 -17.506 15.3728 -38.3664 GPRESSAVG: 1769000 28.6119 92.3041 -17.8871 90.3594 -5.76746 15.6864 -18.6186 16.9607 -37.226 TIMING: 1769000 CPU: 5135.97, 0.00290137/step Wall: 5135.97, 0.00290137/step, 2.60398 hours remaining, 206.449219 MB of memory in use. ENERGY: 1769000 749.9959 2113.8624 1964.6891 111.1232 -206708.7393 18134.8033 0.0000 0.0000 34355.2686 -149278.9968 300.0331 -183634.2654 -149179.8326 299.5242 279.6291 314.6222 555052.7226 -4.5382 -4.7939 PRESSURE: 1769200 159.651 53.1138 74.1576 53.1131 -140.314 -93.1407 74.1567 -93.14 185.745 GPRESSURE: 1769200 119.392 35.6151 37.9647 90.0772 -52.3142 -143.583 116.491 -52.6722 225.663 PRESSAVG: 1769200 60.7714 19.6258 14.2661 19.6258 11.1207 5.36727 14.2662 5.36715 -51.4854 GPRESSAVG: 1769200 61.1299 19.5435 14.0834 21.9722 10.2087 5.91746 13.7542 5.48469 -51.2824 TIMING: 1769200 CPU: 5136.55, 0.00288229/step Wall: 5136.55, 0.00288229/step, 2.58669 hours remaining, 206.449219 MB of memory in use. ENERGY: 1769200 748.7222 2079.9451 1980.6479 109.6627 -206039.3161 17750.7009 0.0000 0.0000 33952.4738 -149417.1636 296.5154 -183369.6374 -149324.4402 298.8209 68.3606 97.5802 556412.4557 6.8022 6.6854 PRESSURE: 1769400 70.7671 -60.7591 93.2569 -60.7593 55.7571 -94.511 93.2587 -94.5106 -338.33 GPRESSURE: 1769400 65.9014 -43.437 185.574 -26.5438 117.219 -151.08 103.781 -22.2003 -303.927 PRESSAVG: 1769400 -32.2704 -10.5644 21.6122 -10.5644 47.2549 -35.1019 21.6123 -35.102 -1.54117 GPRESSAVG: 1769400 -32.7519 -9.15114 24.3375 -12.7525 49.6466 -36.552 22.3529 -35.1132 -2.80178 TIMING: 1769400 CPU: 5137.12, 0.00289553/step Wall: 5137.12, 0.00289553/step, 2.59841 hours remaining, 206.449219 MB of memory in use. ENERGY: 1769400 715.9150 2076.7318 1945.5148 105.4553 -206090.5052 17483.9983 0.0000 0.0000 34359.7846 -149403.1053 300.0725 -183762.8900 -149307.6620 298.7645 -70.6019 -40.2686 557489.0381 4.4811 4.6976 PRESSURE: 1769600 121.67 -73.6923 36.549 -73.6934 26.5957 -153.519 36.5466 -153.519 -25.1046 GPRESSURE: 1769600 145.091 -109.389 -22.329 -95.6587 67.9185 -130.149 -17.3141 -149.223 -0.285402 PRESSAVG: 1769600 81.4031 -9.24486 2.52883 -9.24492 -78.1227 -37.8429 2.52879 -37.843 -17.5555 GPRESSAVG: 1769600 81.5736 -8.41349 0.654195 -8.09878 -79.8299 -37.9214 1.48272 -38.1467 -16.3771 TIMING: 1769600 CPU: 5137.7, 0.00288464/step Wall: 5137.7, 0.00288464/step, 2.58848 hours remaining, 206.449219 MB of memory in use. ENERGY: 1769600 701.5438 2082.2211 1984.6988 131.1752 -206277.7588 17732.5745 0.0000 0.0000 34397.1691 -149248.3761 300.3990 -183645.5453 -149154.4479 298.5249 41.0538 70.9081 555502.4167 -4.7583 -4.8778 PRESSURE: 1769800 77.1419 173.898 83.1768 173.898 -5.08374 -52.1694 83.1766 -52.1689 -52.9492 GPRESSURE: 1769800 45.923 79.3667 129.809 134.299 83.9279 25.2631 -9.00905 -67.8203 -22.64 PRESSAVG: 1769800 44.4207 -47.5293 24.109 -47.5293 17.4915 -34.891 24.109 -34.891 -25.0986 GPRESSAVG: 1769800 43.9899 -47.7548 24.6637 -49.7399 19.2767 -31.9068 25.1221 -36.562 -26.499 TIMING: 1769800 CPU: 5138.28, 0.00288561/step Wall: 5138.28, 0.00288561/step, 2.5892 hours remaining, 206.449219 MB of memory in use. ENERGY: 1769800 755.2481 2074.9516 1952.0825 115.7155 -205990.1838 17810.2890 0.0000 0.0000 34007.9061 -149273.9911 296.9995 -183281.8972 -149176.8593 298.9775 6.3697 35.7370 556043.8608 12.2712 12.2559 PRESSURE: 1770000 290.541 40.0143 -5.4787 40.015 251.073 21.167 -5.47811 21.1682 135.714 GPRESSURE: 1770000 316.283 125.943 -36.9116 16.9127 253.996 49.7316 82.2701 -31.5322 193.51 PRESSAVG: 1770000 22.1756 10.4996 47.1031 10.4995 -13.034 -40.8287 47.103 -40.8287 26.2911 GPRESSAVG: 1770000 22.7741 9.05283 45.6443 12.4191 -14.8248 -41.8637 46.8572 -39.5416 27.4302 TIMING: 1770000 CPU: 5138.86, 0.00289462/step Wall: 5138.86, 0.00289462/step, 2.59712 hours remaining, 206.519531 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: 1770000 720.2834 2133.3564 1973.7494 114.0619 -206414.8942 18053.6849 0.0000 0.0000 34110.8817 -149308.8765 297.8988 -183419.7582 -149205.0652 298.5585 225.7764 254.5963 555171.4163 11.8109 11.7931 PRESSURE: 1770200 -197.714 49.9931 86.7251 49.9938 -360.849 -94.571 86.7261 -94.5721 134.31 GPRESSURE: 1770200 -115.018 -14.5493 48.628 99.0762 -397.131 -97.0833 87.804 -131.411 180.454 PRESSAVG: 1770200 34.1722 3.69346 58.7304 3.69349 -38.0696 -47.9701 58.7303 -47.9702 27.7225 GPRESSAVG: 1770200 35.0083 4.45406 58.2915 2.55052 -38.654 -48.7398 60.4698 -47.9497 27.267 TIMING: 1770200 CPU: 5139.44, 0.00289855/step Wall: 5139.44, 0.00289855/step, 2.60048 hours remaining, 206.519531 MB of memory in use. ENERGY: 1770200 754.1004 2034.5701 1961.4799 123.7988 -206086.6105 17591.1201 0.0000 0.0000 34113.3156 -149508.2257 297.9201 -183621.5413 -149414.6351 298.1243 -141.4175 -110.5649 558176.0975 7.9417 7.8738 PRESSURE: 1770400 -143.133 -51.781 57.5699 -51.7816 -174.157 16.3508 57.5704 16.3497 -57.8597 GPRESSURE: 1770400 -64.5419 -81.149 140.711 -109.593 -196.48 10.1204 72.9497 -3.02678 -19.5302 PRESSAVG: 1770400 16.2742 34.4874 27.1492 34.4874 -69.9016 -49.9724 27.1492 -49.9726 22.9506 GPRESSAVG: 1770400 16.3039 34.1093 29.2479 36.0518 -68.8677 -50.0641 25.9641 -51.016 21.8858 TIMING: 1770400 CPU: 5140.02, 0.00292548/step Wall: 5140.02, 0.00292548/step, 2.62448 hours remaining, 206.519531 MB of memory in use. ENERGY: 1770400 750.1586 2087.0329 1968.2927 113.0049 -206297.6924 17632.2929 0.0000 0.0000 34149.0692 -149597.8411 298.2323 -183746.9104 -149506.0348 298.2131 -125.0499 -93.5175 556821.2795 -10.2256 -10.2260 PRESSURE: 1770600 22.2765 -184.836 -62.052 -184.838 61.6013 178.752 -62.0518 178.751 -78.1947 GPRESSURE: 1770600 10.6944 -148.125 -33.6505 -74.0381 110.007 143.276 -137.904 248.606 -19.4803 PRESSAVG: 1770600 16.3161 18.7354 89.3149 18.7354 21.0109 -35.0405 89.3148 -35.0406 -32.7983 GPRESSAVG: 1770600 15.3788 20.8799 88.7592 16.3287 22.0029 -35.8681 86.968 -33.3095 -33.1033 TIMING: 1770600 CPU: 5140.6, 0.00287813/step Wall: 5140.6, 0.00287814/step, 2.58185 hours remaining, 206.519531 MB of memory in use. ENERGY: 1770600 720.5859 2074.1004 1952.2452 123.2741 -206371.9140 17807.4959 0.0000 0.0000 34142.6560 -149551.5566 298.1763 -183694.2126 -149456.5387 298.3917 1.8944 33.7404 556878.0000 1.5096 1.4261 PRESSURE: 1770800 100.704 -168.664 -131.116 -168.664 55.1818 -213.789 -131.116 -213.79 -4.20903 GPRESSURE: 1770800 174.416 -93.2637 -65.0609 -234.872 41.2483 -281.549 -203.411 -161.293 36.9295 PRESSAVG: 1770800 -0.674687 -40.077 75.5929 -40.0769 -19.4802 -6.98394 75.593 -6.98395 -19.0802 GPRESSAVG: 1770800 0.718151 -42.9405 75.8348 -38.3842 -20.8267 -5.68913 77.6273 -8.25425 -18.8279 TIMING: 1770800 CPU: 5141.17, 0.00288578/step Wall: 5141.17, 0.00288578/step, 2.58854 hours remaining, 206.519531 MB of memory in use. ENERGY: 1770800 730.2082 2064.7923 1990.1156 109.5340 -206566.9820 17896.8515 0.0000 0.0000 34189.4168 -149586.0636 298.5847 -183775.4804 -149486.9917 297.8677 50.5590 84.1979 556599.4744 -13.0784 -12.9788 PRESSURE: 1771000 -302.106 -31.9179 -10.9905 -31.9177 -39.7021 -149.051 -10.9904 -149.051 -7.12651 GPRESSURE: 1771000 -307.397 -84.7893 -74.3684 36.0985 22.8331 -89.7418 35.3741 -110.255 35.6816 PRESSAVG: 1771000 34.8624 -24.1584 77.8871 -24.1584 18.158 -10.9017 77.8871 -10.9018 -29.2692 GPRESSAVG: 1771000 34.8525 -22.9779 78.0756 -24.5562 17.7228 -11.9392 77.4714 -9.88531 -28.5115 TIMING: 1771000 CPU: 5141.76, 0.00291223/step Wall: 5141.76, 0.00291223/step, 2.61211 hours remaining, 206.722656 MB of memory in use. ENERGY: 1771000 749.0805 2057.2470 1968.8259 118.9983 -205941.0683 17612.8119 0.0000 0.0000 34068.9813 -149365.1234 297.5329 -183434.1046 -149270.6401 298.3290 -116.3117 -82.9608 556798.3227 7.9170 8.0213 PRESSURE: 1771200 -89.0656 74.4397 -44.3656 74.4399 143.047 -29.4576 -44.3649 -29.4556 -158.032 GPRESSURE: 1771200 -66.8492 23.2881 45.5593 103.601 143.634 -121.047 -40.988 5.20648 -91.6816 PRESSAVG: 1771200 -5.12789 -49.8372 -14.9802 -49.8372 39.3078 -20.5328 -14.9803 -20.5328 -46.692 GPRESSAVG: 1771200 -6.14696 -49.6381 -17.3587 -49.482 40.7934 -20.7973 -13.2582 -20.3252 -47.0421 TIMING: 1771200 CPU: 5142.33, 0.00288839/step Wall: 5142.33, 0.00288839/step, 2.59057 hours remaining, 206.722656 MB of memory in use. ENERGY: 1771200 755.3034 2113.3012 1976.8407 119.6655 -206437.1605 17971.5732 0.0000 0.0000 34243.7080 -149256.7684 299.0588 -183500.4765 -149160.6788 299.1282 -34.6835 -4.9654 558322.6560 -4.1707 -4.1319 PRESSURE: 1771400 -185.261 -69.3597 99.8143 -69.3577 -66.0464 -15.0736 99.8138 -15.0736 -64.5731 GPRESSURE: 1771400 -145.592 -36.8908 43.4673 -63.6777 4.34295 12.0052 124.823 15.7438 -91.94 PRESSAVG: 1771400 44.0655 34.3972 10.0999 34.3971 -43.7469 -16.5182 10.0998 -16.5182 22.0511 GPRESSAVG: 1771400 44.3918 34.5772 11.0093 34.9235 -45.0448 -17.7989 9.4528 -16.6463 22.6259 TIMING: 1771400 CPU: 5142.92, 0.00291419/step Wall: 5142.92, 0.0029142/step, 2.61355 hours remaining, 206.722656 MB of memory in use. ENERGY: 1771400 744.0636 2059.5740 1994.7917 116.3176 -205751.6014 17516.3574 0.0000 0.0000 34062.4735 -149258.0235 297.4761 -183320.4970 -149159.0559 298.6505 -105.2935 -77.7297 558577.9098 7.4566 7.3243 PRESSURE: 1771600 -104.603 65.754 -47.1235 65.7554 39.5635 -243.867 -47.1238 -243.865 -126.691 GPRESSURE: 1771600 -107.374 35.6815 -27.2688 -22.3401 98.9141 -167.256 -70.83 -215.733 -98.7316 PRESSAVG: 1771600 17.7594 -74.8121 21.244 -74.8122 -52.2243 -50.2717 21.244 -50.2717 5.63166 GPRESSAVG: 1771600 16.9121 -73.8161 19.5095 -74.5231 -51.255 -48.9881 21.3839 -50.3286 5.02731 TIMING: 1771600 CPU: 5143.5, 0.00293461/step Wall: 5143.5, 0.00293461/step, 2.63169 hours remaining, 206.722656 MB of memory in use. ENERGY: 1771600 773.2666 2110.5249 1956.0076 116.2719 -206205.6377 17916.9923 0.0000 0.0000 34189.3139 -149143.2605 298.5838 -183332.5744 -149049.4340 298.7069 -63.9103 -35.7306 559063.8529 -9.6111 -9.7719 PRESSURE: 1771800 172.375 25.6444 -15.2788 25.6436 237.02 80.6863 -15.2778 80.6861 114.728 GPRESSURE: 1771800 183.079 -48.2928 28.3631 82.2714 216.943 150.268 6.54515 1.38076 215.618 PRESSAVG: 1771800 -32.3083 -10.7662 53.6125 -10.7662 16.9003 -54.9584 53.6126 -54.9583 -19.0574 GPRESSAVG: 1771800 -32.2465 -10.2329 53.946 -10.7966 15.2905 -54.4303 52.6709 -53.9502 -17.7922 TIMING: 1771800 CPU: 5144.09, 0.00292489/step Wall: 5144.09, 0.00292489/step, 2.62282 hours remaining, 206.722656 MB of memory in use. ENERGY: 1771800 717.6348 2097.7650 1977.2347 122.2238 -206296.7655 17996.4224 0.0000 0.0000 34290.5738 -149094.9111 299.4681 -183385.4849 -148992.9456 298.9245 174.7077 205.2135 557658.1523 -11.4884 -11.5827 PRESSURE: 1772000 121.761 -152.714 -143.918 -152.714 73.7384 42.3111 -143.917 42.3121 121.735 GPRESSURE: 1772000 206.437 -72.3771 -118.419 -160.189 38.7462 68.8435 -102.098 71.7259 170.148 PRESSAVG: 1772000 -18.2265 -56.8017 13.1601 -56.8016 54.2685 31.9849 13.1601 31.9849 -10.9703 GPRESSAVG: 1772000 -17.1722 -56.6869 15.5336 -59.5916 54.6294 31.7979 13.1335 31.0109 -12.4587 TIMING: 1772000 CPU: 5144.67, 0.00290509/step Wall: 5144.67, 0.00290509/step, 2.6049 hours remaining, 206.722656 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: 1772000 777.4160 2056.2257 1964.1397 126.7052 -206318.1449 17978.7656 0.0000 0.0000 34329.3735 -149085.5192 299.8070 -183414.8927 -148988.6128 299.0060 105.7448 138.4435 557373.7708 8.3572 8.3329 PRESSURE: 1772200 270.959 117.046 -111.194 117.046 310.03 18.5772 -111.194 18.578 67.1888 GPRESSURE: 1772200 240.884 151.355 -197.475 90.2832 340.319 -40.0897 -68.3838 -23.2652 150.673 PRESSAVG: 1772200 42.7964 13.0234 -32.7175 13.0234 32.6467 -37.5079 -32.7175 -37.508 -66.9014 GPRESSAVG: 1772200 42.5806 12.7488 -35.4795 17.1584 32.1452 -38.9319 -30.2523 -37.7657 -66.7314 TIMING: 1772200 CPU: 5145.25, 0.00289883/step Wall: 5145.25, 0.00289883/step, 2.59912 hours remaining, 206.722656 MB of memory in use. ENERGY: 1772200 758.9550 2176.4611 1987.1954 113.0555 -206530.9096 18248.3654 0.0000 0.0000 34193.1114 -149053.7659 298.6169 -183246.8772 -148958.8291 299.9314 216.0592 243.9589 556892.9430 2.8472 2.6648 LDB: ============= START OF LOAD BALANCING ============== 5148.71 LDB: ============== END OF LOAD BALANCING =============== 5148.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5148.71 LDB: ============= START OF LOAD BALANCING ============== 5149 LDB: Largest compute 4821 load 0.030382 is 25.8% of average load 0.117674 LDB: Average compute 0.001725 is 1.5% of average load 0.117674 LDB: TIME 5149.01 LOAD: AVG 0.117674 MAX 0.178058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.711 MB LDB: TIME 5149.01 LOAD: AVG 0.117674 MAX 0.178058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.711 MB LDB: TIME 5149.01 LOAD: AVG 0.117674 MAX 0.178058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5149.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5149.01 PRESSURE: 1772400 165.817 68.6026 -84.433 68.6007 72.2076 48.0329 -84.4331 48.0312 117.812 GPRESSURE: 1772400 192.202 -8.21785 -118.527 57.7283 167.607 26.9175 -14.3899 -1.563 94.0301 PRESSAVG: 1772400 39.8817 30.3356 -7.15959 30.3355 49.4014 -1.50743 -7.15967 -1.50748 -94.8631 GPRESSAVG: 1772400 39.2595 30.8242 -2.84025 28.0514 50.7907 1.23308 -10.844 -1.67281 -95.8342 TIMING: 1772400 CPU: 5145.84, 0.00293783/step Wall: 5145.84, 0.00293782/step, 2.63392 hours remaining, 205.273438 MB of memory in use. ENERGY: 1772400 761.4504 2101.1942 1965.9683 125.4057 -206332.1562 18103.5575 0.0000 0.0000 34287.1620 -148987.4182 299.4383 -183274.5802 -148887.8525 299.6260 118.6124 151.2795 558023.0114 -1.8600 -1.9280 PRESSURE: 1772600 -87.4616 60.1547 -95.2722 60.1544 314.248 47.4371 -95.2729 47.4379 -42.0754 GPRESSURE: 1772600 -54.7339 44.3087 -27.8421 41.9546 336.331 42.9522 -136.637 38.7219 -7.23709 PRESSAVG: 1772600 -83.1024 -11.0818 -25.7044 -11.0818 107.729 18.7988 -25.7044 18.7987 -37.9022 GPRESSAVG: 1772600 -82.7902 -11.9525 -27.9243 -12.4182 107.03 19.3992 -23.8904 19.1266 -37.5399 TIMING: 1772600 CPU: 5146.42, 0.00290063/step Wall: 5146.42, 0.00290063/step, 2.60041 hours remaining, 205.531250 MB of memory in use. ENERGY: 1772600 727.3925 2095.9859 1961.4600 123.9180 -206140.0801 17765.0052 0.0000 0.0000 34318.2934 -149148.0252 299.7102 -183466.3185 -149047.0518 299.5049 61.5702 91.4532 558216.3734 -4.4252 -4.4334 PRESSURE: 1772800 123.675 121.125 25.8276 121.126 68.4058 27.2095 25.8289 27.2095 -203.544 GPRESSURE: 1772800 130.062 74.927 131.262 117.023 91.3521 -31.4599 64.5333 25.1604 -130.572 PRESSAVG: 1772800 -7.24638 7.26846 19.7146 7.26844 36.9887 -11.1708 19.7146 -11.1707 -81.798 GPRESSAVG: 1772800 -7.32263 8.30805 19.6078 8.02264 36.6796 -12.7821 21.2146 -10.7427 -81.9663 TIMING: 1772800 CPU: 5147, 0.0029258/step Wall: 5147, 0.0029258/step, 2.62281 hours remaining, 205.531250 MB of memory in use. ENERGY: 1772800 738.7357 2202.0767 1976.3601 113.4119 -206609.0318 17959.6393 0.0000 0.0000 34391.2904 -149227.5176 300.3477 -183618.8081 -149128.1545 299.2954 -3.8210 30.2806 557514.9409 -17.3519 -17.5364 PRESSURE: 1773000 -2.84032 89.8103 57.0625 89.81 69.9043 -66.7248 57.0616 -66.7274 242.004 GPRESSURE: 1773000 56.6895 129.099 26.0081 17.7842 161.319 -133.785 86.9765 -17.5607 192.643 PRESSAVG: 1773000 37.5519 15.7355 11.6783 15.7355 -7.74368 12.7171 11.6782 12.7173 -16.155 GPRESSAVG: 1773000 39.1897 14.5947 9.92901 16.3476 -7.18919 11.6013 10.4832 14.7657 -18.2358 TIMING: 1773000 CPU: 5147.58, 0.00288667/step Wall: 5147.58, 0.00288667/step, 2.58758 hours remaining, 205.531250 MB of memory in use. ENERGY: 1773000 764.6806 2154.4884 1985.6524 113.7600 -206675.0832 18030.8642 0.0000 0.0000 34347.0150 -149278.6226 299.9610 -183625.6376 -149181.7946 299.0854 103.0228 136.8839 556749.2763 4.5511 4.5882 PRESSURE: 1773200 -336.178 111.173 25.4859 111.173 -206.583 -37.2561 25.4855 -37.2555 -69.7436 GPRESSURE: 1773200 -306.768 172.166 0.13812 73.623 -157.412 -13.5304 68.3116 -120.667 -44.9372 PRESSAVG: 1773200 -37.395 -0.970484 0.331763 -0.970479 2.23222 -48.0067 0.331788 -48.0068 20.0637 GPRESSAVG: 1773200 -38.3959 -0.497585 3.3233 -1.57891 1.68717 -47.0043 -0.127801 -51.1013 22.0328 TIMING: 1773200 CPU: 5148.16, 0.0029084/step Wall: 5148.16, 0.0029084/step, 2.60689 hours remaining, 205.835938 MB of memory in use. ENERGY: 1773200 722.8577 2070.0913 1970.6051 117.1595 -205979.0461 17573.2800 0.0000 0.0000 34317.2968 -149207.7557 299.7015 -183525.0525 -149111.3608 299.7524 -204.1682 -169.7056 558256.2925 -5.0330 -4.8920 PRESSURE: 1773400 -73.7062 103.497 102.079 103.495 -59.6277 -85.2378 102.081 -85.2376 36.1604 GPRESSURE: 1773400 -41.1592 78.5458 150.666 86.2407 -33.9669 -26.2074 88.29 -59.5888 71.7727 PRESSAVG: 1773400 -58.9142 27.3199 35.9383 27.32 -9.63032 -48.9497 35.9384 -48.9497 71.2579 GPRESSAVG: 1773400 -59.0039 27.5722 33.4686 26.3799 -9.94937 -49.6316 36.5668 -45.7218 71.4868 TIMING: 1773400 CPU: 5148.74, 0.00290933/step Wall: 5148.74, 0.00290933/step, 2.60757 hours remaining, 205.835938 MB of memory in use. ENERGY: 1773400 747.9389 2110.9671 1970.3355 122.5159 -206325.5625 17794.6205 0.0000 0.0000 34236.1790 -149343.0057 298.9931 -183579.1847 -149243.3955 299.1792 -32.3912 -1.1178 556938.7837 0.9045 0.8445 PRESSURE: 1773600 86.5993 -56.1248 -4.42085 -56.1268 12.3882 -0.69691 -4.42032 -0.696458 -52.6018 GPRESSURE: 1773600 95.066 -13.7006 -55.6595 -148.918 -0.693161 122.254 64 -123.42 42.3886 PRESSAVG: 1773600 -0.687901 26.4079 21.262 26.408 5.88071 -21.8548 21.262 -21.8548 21.3424 GPRESSAVG: 1773600 -1.82067 26.1933 22.508 26.3598 7.21177 -21.9715 20.3019 -24.479 21.2642 TIMING: 1773600 CPU: 5149.32, 0.00289342/step Wall: 5149.32, 0.00289342/step, 2.59315 hours remaining, 205.835938 MB of memory in use. ENERGY: 1773600 733.5592 2088.5957 1969.5852 108.5325 -206339.4309 17932.0543 0.0000 0.0000 34270.5085 -149236.5955 299.2929 -183507.1040 -149138.6990 299.1620 15.4619 45.5871 557292.6221 8.8451 8.8851 PRESSURE: 1773800 -23.3382 37.6451 -174.258 37.6465 84.7575 -17.3653 -174.258 -17.3674 26.9134 GPRESSURE: 1773800 41.1212 -1.68703 -190.553 19.7594 92.3244 -27.6302 -190.503 -6.86549 38.5305 PRESSAVG: 1773800 7.44814 42.7339 -45.6392 42.7339 -36.8911 -32.9134 -45.6392 -32.9134 10.8373 GPRESSAVG: 1773800 8.75184 42.7597 -46.9539 42.1665 -36.7273 -32.4933 -45.7182 -31.6416 9.52996 TIMING: 1773800 CPU: 5149.9, 0.0028908/step Wall: 5149.9, 0.0028908/step, 2.59063 hours remaining, 205.847656 MB of memory in use. ENERGY: 1773800 772.7312 2163.2797 1957.1856 106.0471 -206149.2532 17885.8973 0.0000 0.0000 34210.6154 -149053.4969 298.7698 -183264.1123 -148952.0762 300.0103 29.4442 57.3254 557715.0407 -6.2019 -6.1485 PRESSURE: 1774000 221.519 99.1925 -71.6361 99.1917 -24.6519 12.5689 -71.6347 12.5697 -47.7735 GPRESSURE: 1774000 241.247 173.672 -43.6016 168.961 30.5396 -83.1655 -109.172 -3.86243 -17.8386 PRESSAVG: 1774000 30.1598 14.708 -23.6493 14.7081 -21.9887 -33.7384 -23.6493 -33.7384 -13.2735 GPRESSAVG: 1774000 29.4957 12.5585 -24.0365 18.282 -23.118 -34.478 -22.312 -33.4824 -11.3949 TIMING: 1774000 CPU: 5150.48, 0.00290702/step Wall: 5150.48, 0.00290702/step, 2.60501 hours remaining, 205.847656 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: 1774000 788.3903 2059.8584 1990.8351 112.0173 -206475.7549 18078.0682 0.0000 0.0000 34452.9029 -148993.6826 300.8858 -183446.5855 -148892.9254 299.8504 49.6977 84.6494 558287.1318 -1.7008 -1.6724 PRESSURE: 1774200 -151.285 26.3522 -82.6774 26.3529 -260.582 -100.206 -82.6764 -100.204 -122.877 GPRESSURE: 1774200 -127.401 -13.6645 54.1849 -27.3331 -234.461 -110.83 -161.547 -44.0647 -62.8337 PRESSAVG: 1774200 74.3628 49.9866 18.6838 49.9867 -79.161 -42.6245 18.6837 -42.6246 -27.0793 GPRESSAVG: 1774200 75.1518 52.4239 20.8302 48.603 -79.1325 -41.0336 17.0421 -43.7567 -28.3566 TIMING: 1774200 CPU: 5151.06, 0.00290429/step Wall: 5151.06, 0.00290429/step, 2.60241 hours remaining, 205.847656 MB of memory in use. ENERGY: 1774200 775.0884 2084.9791 1947.5185 126.4424 -205638.3074 17616.8276 0.0000 0.0000 34353.2367 -148734.2147 300.0154 -183087.4514 -148635.6477 299.3719 -178.2479 -141.5653 558930.9632 -10.6258 -10.7791 PRESSURE: 1774400 113.538 7.19837 -242.806 7.19754 -164.472 -6.4224 -242.806 -6.42197 -178.96 GPRESSURE: 1774400 101.847 10.1562 -139.374 41.3385 -156.961 -45.0719 -199.242 -97.7771 -74.6382 PRESSAVG: 1774400 28.4945 -16.9845 -47.0083 -16.9845 -46.1936 10.555 -47.0083 10.5548 26.2985 GPRESSAVG: 1774400 27.9828 -19.1257 -48.6123 -16.212 -47.0343 8.67414 -46.6618 12.4909 27.9411 TIMING: 1774400 CPU: 5151.64, 0.00289491/step Wall: 5151.64, 0.00289491/step, 2.59384 hours remaining, 205.847656 MB of memory in use. ENERGY: 1774400 706.0224 2101.9977 1950.5992 106.1018 -205254.9465 17341.0912 0.0000 0.0000 34233.2080 -148815.9261 298.9671 -183049.1341 -148716.0881 299.6904 -76.6311 -43.2508 559386.5022 2.8665 2.9632 PRESSURE: 1774600 6.00345 16.7819 -6.05706 16.783 -248.328 131.221 -6.05726 131.22 -143.572 GPRESSURE: 1774600 8.41841 20.9176 -24.0141 -55.8692 -193.58 60.5229 45.2586 121.918 -105.197 PRESSAVG: 1774600 63.8754 13.1294 2.2168 13.1295 -43.4571 -16.882 2.21684 -16.882 -18.1897 GPRESSAVG: 1774600 64.6455 16.2025 4.70864 11.1246 -43.6977 -16.3419 0.229605 -17.3094 -18.3607 TIMING: 1774600 CPU: 5152.22, 0.00289938/step Wall: 5152.22, 0.00289938/step, 2.59769 hours remaining, 205.847656 MB of memory in use. ENERGY: 1774600 754.8902 2079.3453 1992.8604 110.0225 -206031.5616 17723.3358 0.0000 0.0000 34432.7925 -148938.3150 300.7101 -183371.1075 -148842.8502 300.3660 -128.6320 -96.7861 558733.6797 0.7429 0.8624 PRESSURE: 1774800 128.175 -98.9475 40.418 -98.9482 89.4753 -37.7944 40.4175 -37.7952 82.5999 GPRESSURE: 1774800 148.181 32.282 91.9788 -178.529 117.297 -107.449 -10.4559 49.3425 140.444 PRESSAVG: 1774800 56.6658 -30.4147 0.428171 -30.4146 -33.5778 34.8368 0.428251 34.8369 -35.8609 GPRESSAVG: 1774800 56.5264 -30.5515 0.139469 -29.5457 -31.4425 34.1309 2.11211 34.0513 -37.3566 TIMING: 1774800 CPU: 5152.8, 0.00287114/step Wall: 5152.8, 0.00287114/step, 2.57223 hours remaining, 205.847656 MB of memory in use. ENERGY: 1774800 709.1028 2109.6185 1958.7665 115.4024 -206303.0798 18013.1371 0.0000 0.0000 34294.1539 -149102.8986 299.4994 -183397.0525 -149010.0460 299.7669 100.0833 135.3073 557478.5756 -4.2576 -4.0909 PRESSURE: 1775000 -185.722 -65.6168 40.3014 -65.6163 19.1539 125.977 40.3015 125.976 29.6614 GPRESSURE: 1775000 -188.089 -89.7244 10.3568 -72.3155 95.9038 136.4 50.6705 54.2908 40.7716 PRESSAVG: 1775000 64.859 -17.9489 42.6917 -17.9489 -22.6358 29.1234 42.6917 29.1233 28.1969 GPRESSAVG: 1775000 63.2298 -19.1741 38.8176 -17.9624 -21.5365 29.8827 43.8237 30.6076 28.1095 TIMING: 1775000 CPU: 5153.37, 0.00286643/step Wall: 5153.37, 0.00286643/step, 2.56785 hours remaining, 205.847656 MB of memory in use. ENERGY: 1775000 750.8708 2054.7862 1957.1188 105.4947 -206193.0061 17792.5339 0.0000 0.0000 34253.6992 -149278.5025 299.1461 -183532.2017 -149168.4470 299.4073 -45.6356 -17.1379 557421.7374 23.4734 23.2676 PRESSURE: 1775200 -15.0041 -94.8942 70.238 -94.8937 -367.328 32.1514 70.2377 32.1525 34.0049 GPRESSURE: 1775200 24.8604 0.500014 83.2786 -105.756 -348.356 129.833 39.0815 -76.6209 78.377 PRESSAVG: 1775200 -11.7883 -58.9627 -7.52549 -58.9627 15.5845 5.10141 -7.52543 5.10142 -23.8373 GPRESSAVG: 1775200 -11.0947 -58.1392 -5.17196 -58.2396 14.1145 3.1393 -8.4406 5.19524 -23.016 TIMING: 1775200 CPU: 5153.94, 0.0028709/step Wall: 5153.94, 0.00287091/step, 2.57169 hours remaining, 205.847656 MB of memory in use. ENERGY: 1775200 768.7876 2067.8681 1942.0181 117.0646 -206030.7741 17664.4510 0.0000 0.0000 34088.8265 -149381.7582 297.7062 -183470.5847 -149282.1294 299.0643 -116.1090 -81.7064 557984.3750 -6.6804 -6.6654 PRESSURE: 1775400 -21.4758 249.721 -15.3109 249.721 61.1684 -60.3142 -15.3109 -60.3145 164.571 GPRESSURE: 1775400 26.3889 290.554 -17.7538 219.699 30.9627 -104.302 9.90095 33.425 239.948 PRESSAVG: 1775400 -17.1486 -8.67563 1.38479 -8.67556 -56.7646 1.08422 1.38471 1.08427 70.6511 GPRESSAVG: 1775400 -16.6607 -10.3136 1.22835 -8.04288 -57.7683 1.18747 1.07577 1.75138 70.8234 TIMING: 1775400 CPU: 5154.52, 0.00289499/step Wall: 5154.52, 0.00289499/step, 2.59311 hours remaining, 205.847656 MB of memory in use. ENERGY: 1775400 746.2609 2044.2204 1957.2194 126.9955 -206734.5005 18020.3090 0.0000 0.0000 34399.0976 -149440.3977 300.4159 -183839.4953 -149340.5628 299.2093 68.0878 99.1000 556823.2361 -1.0874 -1.2019 PRESSURE: 1775600 94.2143 -52.8943 86.0694 -52.8948 -166.572 44.7661 86.0697 44.7657 -21.1866 GPRESSURE: 1775600 122.224 84.8583 141.259 -18.9536 -174.036 30.7193 66.9788 20.6406 57.4079 PRESSAVG: 1775600 -8.83936 -17.2198 41.7889 -17.2199 -41.987 -16.3016 41.789 -16.3017 55.6475 GPRESSAVG: 1775600 -8.8069 -16.0197 42.3206 -17.7462 -42.0372 -14.2019 41.5116 -18.229 55.4373 TIMING: 1775600 CPU: 5155.1, 0.00289739/step Wall: 5155.1, 0.00289739/step, 2.5951 hours remaining, 205.847656 MB of memory in use. ENERGY: 1775600 755.4361 2075.9720 1974.1749 113.0461 -206244.6800 17737.1008 0.0000 0.0000 34105.7788 -149483.1713 297.8542 -183588.9501 -149388.3916 298.1626 -31.1815 1.8653 556439.8479 1.6071 1.5311 PRESSURE: 1775800 54.4611 90.6133 21.6912 90.6117 -245.595 56.4618 21.6917 56.4597 -212.949 GPRESSURE: 1775800 35.1095 69.5356 10.1622 52.7613 -228.572 105.233 -64.7134 72.8828 -135.962 PRESSAVG: 1775800 54.4491 53.249 22.7832 53.249 -85.0566 8.88486 22.7833 8.88469 27.655 GPRESSAVG: 1775800 54.6245 53.7304 22.7631 50.893 -84.6671 9.0611 22.6805 7.80828 26.7532 TIMING: 1775800 CPU: 5155.68, 0.00289121/step Wall: 5155.68, 0.00289121/step, 2.5894 hours remaining, 205.847656 MB of memory in use. ENERGY: 1775800 755.3611 2061.2631 1953.4668 109.1754 -206196.6707 17722.9574 0.0000 0.0000 34243.5718 -149350.8751 299.0576 -183594.4469 -149250.0337 298.1413 -134.6943 -109.8083 557788.8865 -0.9841 -1.0965 PRESSURE: 1776000 76.5885 142.055 -40.8177 142.055 -225.492 -128.264 -40.8174 -128.263 -30.2278 GPRESSURE: 1776000 103.923 135.947 -11.7146 142.023 -164.313 -99.1927 -43.3693 -198.949 -17.697 PRESSAVG: 1776000 29.732 80.2794 10.4921 80.2795 -37.8189 -31.0479 10.4922 -31.0477 43.1179 GPRESSAVG: 1776000 29.4351 79.8927 8.70655 81.8259 -37.8144 -30.1519 11.4246 -30.3994 43.5533 TIMING: 1776000 CPU: 5156.26, 0.00288093/step Wall: 5156.26, 0.00288093/step, 2.58004 hours remaining, 205.847656 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: 1776000 776.1397 2062.2339 1950.3461 117.0741 -206131.7096 17720.3071 0.0000 0.0000 34378.2859 -149127.3228 300.2341 -183505.6087 -149030.2937 298.9865 -59.7105 -26.0289 557573.7108 11.6770 11.7246 PRESSURE: 1776200 12.2493 88.3249 -76.4488 88.3256 -373.056 -30.9828 -76.4477 -30.9839 29.4852 GPRESSURE: 1776200 28.6332 161.04 -51.6276 46.4692 -288.751 -56.733 -117.559 16.0997 31.729 PRESSAVG: 1776200 -29.2593 37.5108 -35.0942 37.5109 -4.56005 -23.1823 -35.0943 -23.1823 33.8883 GPRESSAVG: 1776200 -28.9243 36.6815 -34.5262 37.0994 -5.41064 -23.5708 -35.0255 -23.7857 35.7036 TIMING: 1776200 CPU: 5156.83, 0.00287788/step Wall: 5156.83, 0.00287788/step, 2.57714 hours remaining, 205.847656 MB of memory in use. ENERGY: 1776200 742.0564 2105.3848 1962.6489 99.4489 -205931.7017 17667.2585 0.0000 0.0000 34277.6527 -149077.2515 299.3553 -183354.9042 -148976.5235 299.0923 -110.4405 -76.1296 558661.8844 0.0230 0.4562 LDB: ============= START OF LOAD BALANCING ============== 5160.3 LDB: ============== END OF LOAD BALANCING =============== 5160.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5160.3 LDB: ============= START OF LOAD BALANCING ============== 5160.59 LDB: Largest compute 4821 load 0.031932 is 27.1% of average load 0.117620 LDB: Average compute 0.001720 is 1.5% of average load 0.117620 LDB: TIME 5160.59 LOAD: AVG 0.11762 MAX 0.175311 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 5160.59 LOAD: AVG 0.11762 MAX 0.175311 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 5160.59 LOAD: AVG 0.11762 MAX 0.175311 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5160.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5160.6 PRESSURE: 1776400 -5.37227 -112.562 -107.502 -112.564 -95.3614 -42.7061 -107.502 -42.705 96.0867 GPRESSURE: 1776400 -14.4158 -200.753 -117.24 -149.768 -12.0679 -52.8116 -70.5003 -0.944202 112.667 PRESSAVG: 1776400 8.43084 -30.4161 52.4776 -30.4162 -81.6784 -6.38262 52.4777 -6.38251 29.0401 GPRESSAVG: 1776400 8.49857 -29.661 54.3431 -31.1907 -80.8263 -8.43362 51.2811 -5.40056 27.9176 TIMING: 1776400 CPU: 5157.42, 0.00294053/step Wall: 5157.42, 0.00294053/step, 2.63308 hours remaining, 206.347656 MB of memory in use. ENERGY: 1776400 735.3683 2070.9226 1980.1006 115.1451 -206064.4426 17729.0716 0.0000 0.0000 34562.5355 -148871.2989 301.8432 -183433.8344 -148767.2682 300.2834 -1.5490 28.7276 557715.4907 -14.7358 -14.8034 PRESSURE: 1776600 56.9505 -41.3291 -33.1577 -41.3296 42.1654 54.4849 -33.1576 54.4844 -82.5044 GPRESSURE: 1776600 64.4891 -28.333 8.20496 -34.7067 48.4146 25.1873 -32.4869 5.41906 16.8528 PRESSAVG: 1776600 -40.8728 0.126063 -12.61 0.126153 -28.3054 -28.1524 -12.6101 -28.1523 107.218 GPRESSAVG: 1776600 -39.9904 -1.92817 -14.5907 0.0877251 -28.8407 -24.9339 -12.979 -30.0818 106.827 TIMING: 1776600 CPU: 5158, 0.00287699/step Wall: 5158, 0.00287699/step, 2.57602 hours remaining, 206.808594 MB of memory in use. ENERGY: 1776600 753.3341 2107.3242 1954.2279 125.4262 -205882.5663 17870.4480 0.0000 0.0000 34070.0941 -149001.7118 297.5426 -183071.8058 -148907.0856 300.5018 5.5372 43.2522 559584.0854 12.6798 12.6652 PRESSURE: 1776800 -127.982 105.574 221.238 105.573 374.635 72.615 221.238 72.6152 216.423 GPRESSURE: 1776800 -79.3776 68.235 105.89 143.758 405.19 63.1269 215.359 61.0952 234.857 PRESSAVG: 1776800 -27.5993 22.4294 11.6846 22.4294 48.7055 -18.7073 11.6846 -18.7074 -38.5986 GPRESSAVG: 1776800 -27.9913 22.3068 12.2356 25.1733 48.1703 -20.0572 11.7472 -17.8428 -37.9592 TIMING: 1776800 CPU: 5158.57, 0.00288627/step Wall: 5158.57, 0.00288627/step, 2.58418 hours remaining, 206.808594 MB of memory in use. ENERGY: 1776800 713.9510 2096.4258 1992.1183 111.7049 -206193.5851 17971.0105 0.0000 0.0000 34261.4586 -149046.9161 299.2138 -183308.3746 -148948.7942 298.9905 154.3588 186.8898 557859.3463 -5.8308 -5.9267 PRESSURE: 1777000 98.0441 36.5579 210.331 36.5577 -94.7576 93.5629 210.33 93.5615 -16.4714 GPRESSURE: 1777000 121.658 9.43192 234.795 13.2046 -94.0669 102.161 192.735 68.0336 40.144 PRESSAVG: 1777000 -40.7158 35.4561 38.4949 35.4562 9.6596 -25.3313 38.4948 -25.3314 43.3857 GPRESSAVG: 1777000 -40.4035 35.5831 37.7658 35.124 9.83414 -24.9381 42.1689 -24.6615 43.4221 TIMING: 1777000 CPU: 5159.15, 0.0028925/step Wall: 5159.15, 0.0028925/step, 2.58959 hours remaining, 206.937500 MB of memory in use. ENERGY: 1777000 746.2221 2064.0745 1953.6238 119.0832 -205927.6187 17818.9963 0.0000 0.0000 34387.6716 -148837.9472 300.3161 -183225.6188 -148738.6277 299.5201 -4.3950 22.5783 557881.4891 4.1098 4.2843 PRESSURE: 1777200 -87.1806 -46.8766 14.106 -46.878 -285.018 -178.671 14.106 -178.669 -546.811 GPRESSURE: 1777200 -43.8173 -50.8834 4.39472 -67.1286 -305.688 -147.974 6.36843 -147.627 -469.606 PRESSAVG: 1777200 -3.50779 -37.3414 59.0019 -37.3414 -40.4868 22.8349 59.0019 22.8349 52.1463 GPRESSAVG: 1777200 -6.00385 -36.7423 60.5522 -36.6555 -38.429 19.8266 56.3651 25.02 52.4118 TIMING: 1777200 CPU: 5159.73, 0.00290105/step Wall: 5159.73, 0.00290105/step, 2.59708 hours remaining, 206.937500 MB of memory in use. ENERGY: 1777200 807.9761 2059.6215 2000.2860 120.9239 -205321.9558 17216.6875 0.0000 0.0000 34291.0369 -148825.4240 299.4722 -183116.4609 -148730.4844 300.0253 -306.3367 -273.0372 560067.9710 2.7173 2.6596 PRESSURE: 1777400 -183.847 78.5935 33.5749 78.5942 121.041 66.0678 33.5742 66.0668 -22.0603 GPRESSURE: 1777400 -140.664 25.7449 39.1686 119.089 136.886 26.6281 -14.9898 71.4952 6.53419 PRESSAVG: 1777400 13.7231 -50.5442 14.912 -50.5441 -16.3897 9.5669 14.9119 9.56694 7.61705 GPRESSAVG: 1777400 17.0038 -50.4871 15.4986 -51.9628 -17.4433 12.2234 15.0316 8.32503 5.16624 TIMING: 1777400 CPU: 5160.31, 0.0028777/step Wall: 5160.31, 0.0028777/step, 2.57602 hours remaining, 206.937500 MB of memory in use. ENERGY: 1777400 750.5634 2076.8738 2003.2094 125.7836 -206099.3572 17864.8177 0.0000 0.0000 34342.5390 -148935.5704 299.9219 -183278.1094 -148831.3754 299.7817 -28.2888 0.9190 558020.9833 1.6502 1.5756 PRESSURE: 1777600 -362.279 11.9306 -70.669 11.9316 -171.422 69.9959 -70.6692 69.9979 -125.558 GPRESSURE: 1777600 -307.532 -82.6665 -102.932 -9.38423 -119.493 49.5922 -22.2114 19.0533 -124.276 PRESSAVG: 1777600 -8.83576 58.6246 -9.16391 58.6246 36.6849 16.256 -9.16386 16.2561 -42.3088 GPRESSAVG: 1777600 -10.0158 59.057 -11.9105 59.2097 36.7552 14.6033 -9.91281 14.7747 -41.0735 TIMING: 1777600 CPU: 5160.89, 0.00291155/step Wall: 5160.89, 0.00291155/step, 2.60616 hours remaining, 206.949219 MB of memory in use. ENERGY: 1777600 762.1337 2073.9984 1978.1852 113.3351 -205277.3413 17265.5063 0.0000 0.0000 34264.2210 -148819.9617 299.2380 -183084.1826 -148727.6225 299.9615 -219.7530 -183.7669 557664.5121 -4.8199 -4.7780 PRESSURE: 1777800 -349.851 69.1162 -15.3794 69.116 -20.0856 46.6339 -15.381 46.6343 -124.906 GPRESSURE: 1777800 -359.917 30.4043 3.60843 81.2862 17.7635 104.079 -91.8825 49.0169 -52.4407 PRESSAVG: 1777800 -22.6904 -12.4398 -2.38116 -12.4396 38.155 3.62428 -2.3813 3.62427 -39.4236 GPRESSAVG: 1777800 -23.4915 -11.6551 -1.79924 -14.0573 38.659 4.45476 -0.845987 3.53842 -39.2365 TIMING: 1777800 CPU: 5161.47, 0.0029024/step Wall: 5161.47, 0.0029024/step, 2.59781 hours remaining, 206.949219 MB of memory in use. ENERGY: 1777800 729.8476 2094.5685 1957.3205 111.3008 -205708.8041 17534.1907 0.0000 0.0000 34442.3632 -148839.2127 300.7937 -183281.5760 -148742.8382 299.8634 -164.9476 -131.5313 557722.4978 -7.9863 -8.0230 PRESSURE: 1778000 -139.878 -53.861 38.5927 -53.861 -133.395 -88.9234 38.5929 -88.9232 190.971 GPRESSURE: 1778000 -119.659 -202.202 37.2148 -55.8295 -60.7755 -166.243 7.50224 -46.3891 178.363 PRESSAVG: 1778000 -85.0011 -5.92836 -25.9532 -5.92836 -38.8385 0.94174 -25.9534 0.941893 75.9157 GPRESSAVG: 1778000 -84.8756 -7.95091 -26.2536 -2.56952 -39.1166 0.76169 -24.9054 1.98549 76.4521 TIMING: 1778000 CPU: 5162.05, 0.00288229/step Wall: 5162.05, 0.00288228/step, 2.57964 hours remaining, 206.949219 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: 1778000 726.1620 2160.6869 1986.8751 123.2140 -206068.3041 17758.4441 0.0000 0.0000 34258.2582 -149054.6639 299.1859 -183312.9222 -148958.2009 300.1723 -27.4340 -0.6904 557522.0695 -15.9747 -15.8467 PRESSURE: 1778200 103.151 -38.9031 -32.9267 -38.9024 -194.362 137.31 -32.9268 137.308 199.257 GPRESSURE: 1778200 172.071 -43.5135 8.73213 -83.6206 -158.354 84.7008 -138.728 140.01 195.641 PRESSAVG: 1778200 58.1994 -44.307 -54.8404 -44.307 -56.5983 -0.427669 -54.8404 -0.4279 -12.46 GPRESSAVG: 1778200 57.7688 -45.0455 -54.348 -45.4569 -56.2098 -1.14768 -55.5726 0.773128 -12.2499 TIMING: 1778200 CPU: 5162.63, 0.00289617/step Wall: 5162.63, 0.00289617/step, 2.59191 hours remaining, 206.949219 MB of memory in use. ENERGY: 1778200 675.0153 2076.3785 1969.3977 104.2419 -205851.9000 17578.1004 0.0000 0.0000 34433.0869 -149015.6793 300.7127 -183448.7662 -148915.5745 300.1073 36.0153 69.7861 555193.8784 -3.6197 -3.5637 PRESSURE: 1778400 -106.611 -71.6908 4.38848 -71.6905 1.11224 -43.8694 4.38868 -43.8665 4.52153 GPRESSURE: 1778400 -72.8959 -30.604 23.5203 -23.0859 10.0661 -84.5891 -67.8599 -59.8126 63.2735 PRESSAVG: 1778400 2.43074 -28.499 -52.8206 -28.499 32.6689 -0.000466981 -52.8207 -0.000400573 46.3383 GPRESSAVG: 1778400 2.52371 -26.5593 -53.9946 -30.0318 32.5122 2.17669 -50.9857 -3.32367 45.8695 TIMING: 1778400 CPU: 5163.21, 0.00290165/step Wall: 5163.21, 0.00290165/step, 2.59665 hours remaining, 206.949219 MB of memory in use. ENERGY: 1778400 742.0407 2098.3381 2003.6196 94.5047 -206432.2446 17894.8396 0.0000 0.0000 34444.3714 -149154.5305 300.8113 -183598.9019 -149059.2821 300.5570 -33.6592 0.1479 556042.9652 27.1460 26.9685 PRESSURE: 1778600 -186.455 -93.2954 -63.8074 -93.2946 199.637 -19.6324 -63.8066 -19.6335 119.601 GPRESSURE: 1778600 -200.086 -101.129 -76.2088 -88.4133 264.107 49.6861 -94.3787 -31.78 187.93 PRESSAVG: 1778600 -67.59 -27.243 -30.1276 -27.243 -9.07938 31.6518 -30.1275 31.6518 70.9022 GPRESSAVG: 1778600 -65.321 -26.1726 -30.1304 -27.8864 -10.2221 29.1661 -31.4649 32.0614 69.6719 TIMING: 1778600 CPU: 5163.79, 0.00290391/step Wall: 5163.79, 0.00290391/step, 2.59852 hours remaining, 206.949219 MB of memory in use. ENERGY: 1778600 730.3038 2091.6478 1979.2158 114.1679 -205911.9217 17712.2717 0.0000 0.0000 34115.5956 -149168.7191 297.9400 -183284.3146 -149069.6892 299.3337 44.2611 83.9838 557166.9393 -1.9224 -1.9571 PRESSURE: 1778800 37.5652 18.4528 48.7879 18.4541 -129.063 14.9031 48.7877 14.9023 -109.376 GPRESSURE: 1778800 38.7937 131.317 38.2287 -41.7661 -54.1604 -19.1389 86.5108 49.013 -96.3169 PRESSAVG: 1778800 7.47015 -21.9849 9.52136 -21.9848 10.0171 5.17136 9.52137 5.17129 -15.499 GPRESSAVG: 1778800 5.42786 -22.7631 11.3034 -22.3718 11.101 5.83139 8.13966 7.72325 -14.3672 TIMING: 1778800 CPU: 5164.37, 0.00290817/step Wall: 5164.37, 0.00290817/step, 2.60216 hours remaining, 206.949219 MB of memory in use. ENERGY: 1778800 748.0305 2127.8412 1998.3483 124.8635 -206200.2859 17711.1317 0.0000 0.0000 34200.5250 -149289.5456 298.6817 -183490.0706 -149196.7717 298.8267 -66.9579 -37.2279 557396.9985 0.6628 0.7205 PRESSURE: 1779000 179.739 -190.008 10.9522 -190.007 103.935 -71.9351 10.9528 -71.936 81.3009 GPRESSURE: 1779000 216.97 -148.832 91.3904 -214.016 154.988 -135.769 -64.3035 -69.384 86.1384 PRESSAVG: 1779000 -5.38871 -19.3893 2.9123 -19.3892 -36.3867 30.1737 2.91227 30.1737 -5.67502 GPRESSAVG: 1779000 -5.65941 -19.9927 1.53652 -16.7216 -36.5987 32.2507 3.13346 27.9777 -5.43387 TIMING: 1779000 CPU: 5164.95, 0.00289725/step Wall: 5164.95, 0.00289725/step, 2.59224 hours remaining, 206.949219 MB of memory in use. ENERGY: 1779000 717.3624 2099.9520 1980.6546 111.2205 -206424.3928 18075.1819 0.0000 0.0000 34221.6724 -149218.3491 298.8664 -183440.0215 -149123.7718 299.4968 121.6583 152.6988 558475.4438 -15.8168 -15.8973 PRESSURE: 1779200 0.610222 61.3898 243.356 61.3888 -108.041 -190.047 243.356 -190.048 -128.318 GPRESSURE: 1779200 2.83848 55.5263 216.231 28.3821 -77.1856 -242.7 317.905 -174.799 -68.6382 PRESSAVG: 1779200 -49.7943 -54.5082 58.9296 -54.5082 47.0386 12.4438 58.9296 12.4438 23.4757 GPRESSAVG: 1779200 -47.9639 -55.2178 59.0359 -54.9988 47.5267 8.74736 58.3853 14.479 21.2619 TIMING: 1779200 CPU: 5165.52, 0.00287038/step Wall: 5165.52, 0.00287038/step, 2.56803 hours remaining, 206.949219 MB of memory in use. ENERGY: 1779200 749.8433 2055.1027 1955.8100 108.6618 -206117.2147 17884.2613 0.0000 0.0000 34203.8888 -149159.6469 298.7111 -183363.5357 -149070.6688 298.9594 -78.5831 -47.6618 558600.4619 6.9067 6.9416 PRESSURE: 1779400 37.6681 81.4346 -5.15778 81.4349 162.913 -176.153 -5.15608 -176.153 326.003 GPRESSURE: 1779400 82.7803 60.1228 10.3566 88.8285 215.531 -214.703 29.7447 -142.539 325.67 PRESSAVG: 1779400 -64.6392 -6.15052 -35.0116 -6.15045 4.37191 0.221968 -35.0115 0.221983 16.1611 GPRESSAVG: 1779400 -65.8616 -5.72939 -34.5272 -6.46499 4.33667 2.07534 -35.1407 -0.189298 17.5251 TIMING: 1779400 CPU: 5166.1, 0.00291429/step Wall: 5166.1, 0.00291429/step, 2.60716 hours remaining, 206.949219 MB of memory in use. ENERGY: 1779400 730.9186 2080.3895 1950.6815 118.3069 -206509.0061 18097.3492 0.0000 0.0000 34331.9555 -149199.4048 299.8295 -183531.3603 -149103.7847 298.9981 175.5282 207.9939 558020.1111 -14.7020 -14.6666 PRESSURE: 1779600 -60.9929 44.2966 -93.3376 44.2954 92.3122 -7.20372 -93.3381 -7.20406 -156.793 GPRESSURE: 1779600 -76.208 87.8988 -214.473 33.3014 146.295 23.5655 -19.6761 -36.3719 -93.4181 PRESSAVG: 1779600 -82.4334 -64.4292 -14.4355 -64.4291 -10.405 9.00262 -14.4354 9.00262 40.6582 GPRESSAVG: 1779600 -81.8037 -64.3053 -14.7183 -63.9351 -10.8712 10.586 -12.1023 8.39007 40.6137 TIMING: 1779600 CPU: 5166.68, 0.00288392/step Wall: 5166.68, 0.00288392/step, 2.57983 hours remaining, 206.949219 MB of memory in use. ENERGY: 1779600 763.8106 2117.5858 1988.2146 122.7333 -206229.8950 17742.1649 0.0000 0.0000 34125.6082 -149369.7776 298.0274 -183495.3858 -149283.5041 298.4098 -41.8247 -7.7771 557221.6413 -17.3934 -17.3537 PRESSURE: 1779800 -184.788 -8.62328 81.2088 -8.62411 -60.8824 17.762 81.2092 17.763 -168.185 GPRESSURE: 1779800 -178.046 31.1668 64.3927 -56.0305 4.03057 -73.0718 28.9938 50.7077 -127.883 PRESSAVG: 1779800 -64.2911 -10.3051 -26.1003 -10.3051 76.0853 17.2597 -26.1003 17.2597 -1.63547 GPRESSAVG: 1779800 -64.7706 -7.86458 -25.3802 -13.7839 76.4809 15.9172 -27.9385 17.9117 -2.03168 TIMING: 1779800 CPU: 5167.26, 0.00289935/step Wall: 5167.26, 0.00289935/step, 2.59347 hours remaining, 206.949219 MB of memory in use. ENERGY: 1779800 781.1681 2090.4987 1975.9352 110.5131 -205935.7999 17586.4782 0.0000 0.0000 34180.0928 -149211.1139 298.5033 -183391.2067 -149111.7695 298.3932 -137.9520 -100.6330 558506.4591 3.3863 3.2262 PRESSURE: 1780000 -122.03 -152.055 -99.9593 -152.056 1.67604 107.663 -99.9603 107.663 -219.399 GPRESSURE: 1780000 -116.82 -94.0899 -119.259 -116.888 62.677 79.4392 -139.352 127.718 -176.282 PRESSAVG: 1780000 -122.056 24.6457 39.3858 24.6457 68.7443 -41.1738 39.3858 -41.1737 63.0076 GPRESSAVG: 1780000 -123.17 23.0216 39.9223 27.0729 69.3607 -43.6775 38.4435 -39.4923 63.269 TIMING: 1780000 CPU: 5167.84, 0.00290126/step Wall: 5167.84, 0.00290126/step, 2.59502 hours remaining, 206.949219 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: 1780000 748.3993 2128.6817 2003.1338 138.0087 -206053.2565 17483.6424 0.0000 0.0000 34400.6228 -149150.7678 300.4292 -183551.3906 -149052.2679 299.0249 -113.2510 -76.8084 556107.6957 3.2321 3.1533 PRESSURE: 1780200 52.0718 11.8388 84.7118 11.8397 190.055 49.6677 84.7139 49.6696 62.3997 GPRESSURE: 1780200 106.861 -42.0438 128.071 7.53211 227.576 19.0912 114.533 146.957 66.81 PRESSAVG: 1780200 -13.2046 24.8084 -6.21645 24.8083 -27.6963 24.6863 -6.21648 24.6863 18.2612 GPRESSAVG: 1780200 -11.1834 22.3086 -7.499 25.5606 -28.884 26.1703 -5.35287 23.1694 17.4384 TIMING: 1780200 CPU: 5168.42, 0.00290151/step Wall: 5168.42, 0.00290151/step, 2.59508 hours remaining, 206.949219 MB of memory in use. ENERGY: 1780200 755.5030 2128.9729 1966.7980 109.1435 -206130.2302 17779.1047 0.0000 0.0000 34125.2077 -149265.5005 298.0239 -183390.7081 -149172.0567 298.8734 101.5088 133.7490 556520.6611 -7.5466 -7.5430 LDB: ============= START OF LOAD BALANCING ============== 5171.89 LDB: ============== END OF LOAD BALANCING =============== 5171.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5171.89 LDB: ============= START OF LOAD BALANCING ============== 5172.18 LDB: Largest compute 4821 load 0.031254 is 26.6% of average load 0.117680 LDB: Average compute 0.001721 is 1.5% of average load 0.117680 LDB: TIME 5172.18 LOAD: AVG 0.11768 MAX 0.178832 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 5172.18 LOAD: AVG 0.11768 MAX 0.178832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 5172.18 LOAD: AVG 0.11768 MAX 0.178832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5172.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5172.19 PRESSURE: 1780400 -54.0249 -79.7494 41.5769 -79.7487 -67.9269 -16.0032 41.5759 -16.0027 -330.95 GPRESSURE: 1780400 -44.8293 -21.7425 82.5952 -107.825 35.583 33.8273 83.0021 -72.5676 -340.092 PRESSAVG: 1780400 0.0838225 -28.9685 -4.3831 -28.9684 21.0927 26.1569 -4.38311 26.1569 10.6957 GPRESSAVG: 1780400 -0.752539 -28.0899 -4.39622 -28.8962 22.1872 26.5316 -4.37107 25.3953 11.1668 TIMING: 1780400 CPU: 5169.01, 0.00294464/step Wall: 5169.01, 0.00294464/step, 2.63349 hours remaining, 206.503906 MB of memory in use. ENERGY: 1780400 731.1513 2120.8467 1982.6547 103.2588 -206096.5834 17610.2533 0.0000 0.0000 34237.0253 -149311.3933 299.0005 -183548.4185 -149213.8344 298.1088 -150.9671 -116.4460 557117.2127 10.6241 10.8671 PRESSURE: 1780600 147.879 8.72072 107.758 8.72121 -110.959 -25.6826 107.76 -25.6815 125.743 GPRESSURE: 1780600 169.451 -26.3934 155.228 -40.709 -118.002 116.227 60.5624 -104.091 205.056 PRESSAVG: 1780600 9.19708 -33.2831 8.28097 -33.2831 -35.2357 30.405 8.28112 30.405 26.7071 GPRESSAVG: 1780600 9.46222 -32.8847 10.0515 -36.2179 -36.3935 28.9693 7.43843 31.2397 27.2273 TIMING: 1780600 CPU: 5169.59, 0.00288128/step Wall: 5169.59, 0.00288128/step, 2.57667 hours remaining, 206.757812 MB of memory in use. ENERGY: 1780600 756.4815 2090.8995 1975.9126 110.5409 -206072.6660 17808.8054 0.0000 0.0000 34165.9834 -149164.0428 298.3800 -183330.0262 -149067.9539 299.0807 54.2209 85.5019 557498.4087 0.2228 0.0987 PRESSURE: 1780800 -287.019 -166.529 -50.6809 -166.529 -100.11 24.5506 -50.6806 24.5514 -149.506 GPRESSURE: 1780800 -257.002 -116.656 -20.3999 -84.5314 -47.5391 95.6757 -28.962 -10.5782 -122.215 PRESSAVG: 1780800 13.3372 -53.0472 3.4639 -53.0472 18.0637 -32.4262 3.46388 -32.4263 -60.5029 GPRESSAVG: 1780800 13.1155 -53.5288 3.59862 -48.8818 18.2028 -32.7212 4.14123 -32.7011 -60.204 TIMING: 1780800 CPU: 5170.17, 0.0029092/step Wall: 5170.17, 0.0029092/step, 2.60147 hours remaining, 206.757812 MB of memory in use. ENERGY: 1780800 726.7394 2074.4783 1977.6509 115.3378 -205744.9566 17502.5081 0.0000 0.0000 34250.0166 -149098.2256 299.1139 -183348.2421 -148999.3139 299.6885 -178.8781 -142.2522 558523.4384 -9.7007 -9.6286 PRESSURE: 1781000 33.114 -87.6302 -84.4983 -87.6313 -130.347 33.1474 -84.4988 33.148 -232.585 GPRESSURE: 1781000 -8.04212 -96.6473 -141.454 -104.677 -76.7271 21.2483 -79.7094 64.5551 -151.779 PRESSAVG: 1781000 -40.4676 -29.2716 -52.4881 -29.2715 -0.559441 -47.365 -52.488 -47.365 19.1324 GPRESSAVG: 1781000 -41.8405 -27.5213 -54.0985 -32.1414 0.944612 -45.6897 -52.0323 -47.4261 19.5466 TIMING: 1781000 CPU: 5170.75, 0.00292472/step Wall: 5170.75, 0.00292472/step, 2.61519 hours remaining, 206.757812 MB of memory in use. ENERGY: 1781000 721.8413 2113.1568 1977.9405 119.8342 -206267.3422 17780.6559 0.0000 0.0000 34535.0904 -149018.8230 301.6035 -183553.9134 -148924.4953 299.2913 -109.9391 -78.8492 557924.8293 -7.2982 -7.1164 PRESSURE: 1781200 -145.147 -7.8759 -175.934 -7.87479 -77.7331 -120.466 -175.932 -120.466 78.2135 GPRESSURE: 1781200 -124.71 -62.631 -172.989 72.5269 -37.9498 -110.819 -176.904 -109.943 111.83 PRESSAVG: 1781200 -30.7516 -10.3155 -5.77227 -10.3154 20.8496 -13.8165 -5.77229 -13.8164 -14.4026 GPRESSAVG: 1781200 -29.7835 -9.76792 -7.08753 -10.4615 21.2225 -14.154 -6.08115 -14.3918 -15.4956 TIMING: 1781200 CPU: 5171.34, 0.00290668/step Wall: 5171.34, 0.00290668/step, 2.5989 hours remaining, 206.757812 MB of memory in use. ENERGY: 1781200 756.6971 2075.3684 1963.2338 106.6576 -206171.7163 17796.0471 0.0000 0.0000 34444.8399 -149028.8723 300.8154 -183473.7122 -148937.0659 299.2766 -48.2224 -16.9433 558476.2588 -8.1015 -8.0189 PRESSURE: 1781400 -23.7964 177.8 9.68234 177.801 12.0715 114.241 9.68201 114.238 -313.355 GPRESSURE: 1781400 15.6627 175.372 -66.1163 188.555 18.3669 50.3837 44.5178 130.3 -265.282 PRESSAVG: 1781400 -11.1154 -3.35574 -49.4222 -3.35579 13.5552 16.1898 -49.4223 16.1897 -54.9321 GPRESSAVG: 1781400 -10.4572 -2.84009 -48.5733 -1.06124 12.4442 15.5902 -48.4003 17.473 -54.635 TIMING: 1781400 CPU: 5171.91, 0.0028827/step Wall: 5171.91, 0.0028827/step, 2.5773 hours remaining, 206.757812 MB of memory in use. ENERGY: 1781400 756.8291 2088.4842 1953.1400 114.4601 -205778.5438 17604.6343 0.0000 0.0000 34210.7147 -149050.2814 298.7707 -183260.9961 -148952.1318 299.8170 -108.3599 -77.0841 557599.5389 -17.4974 -17.5493 PRESSURE: 1781600 -282.64 -13.695 -55.7187 -13.6951 165.567 23.423 -55.7189 23.4224 -192.466 GPRESSURE: 1781600 -236.95 -10.7048 -75.811 -88.9698 188.09 -23.0818 -27.1593 -0.455896 -166.161 PRESSAVG: 1781600 27.3054 3.37037 73.5629 3.37036 14.7066 -8.17444 73.5629 -8.17449 -40.7792 GPRESSAVG: 1781600 27.283 1.13943 75.9173 4.58066 14.3473 -9.61494 71.5945 -8.73454 -39.5646 TIMING: 1781600 CPU: 5172.49, 0.0028939/step Wall: 5172.49, 0.0028939/step, 2.58714 hours remaining, 206.757812 MB of memory in use. ENERGY: 1781600 729.8938 2074.4260 1956.1810 117.8790 -205827.0861 17645.1705 0.0000 0.0000 34250.7134 -149052.8224 299.1200 -183303.5357 -148946.3781 299.0595 -103.1798 -71.6737 557706.9432 0.4109 0.6886 PRESSURE: 1781800 33.0723 -78.2252 -9.52346 -78.2258 -130.366 -5.0436 -9.5245 -5.04455 -74.9921 GPRESSURE: 1781800 16.3591 -138.52 5.15962 -71.5665 -91.4223 45.8157 -36.7447 -48.8238 -11.3859 PRESSAVG: 1781800 85.9917 13.5034 5.69849 13.5036 20.0687 21.6979 5.69853 21.6979 -116.455 GPRESSAVG: 1781800 84.9422 15.4248 6.38588 9.83076 20.5184 23.4695 5.50454 21.9093 -116.294 TIMING: 1781800 CPU: 5173.07, 0.00289038/step Wall: 5173.07, 0.00289038/step, 2.58384 hours remaining, 206.757812 MB of memory in use. ENERGY: 1781800 744.5266 2057.4469 1944.2329 122.5793 -206177.6318 17645.0714 0.0000 0.0000 34576.1401 -149087.6347 301.9620 -183663.7748 -148991.2900 299.6794 -57.4285 -28.8164 556223.4575 -3.4648 -3.6111 PRESSURE: 1782000 134.566 69.837 -78.9781 69.8388 -101.307 7.97052 -78.9777 7.97073 -90.3769 GPRESSURE: 1782000 162.178 28.6911 -5.23581 124.465 -89.0757 45.1588 27.9864 2.29021 -26.7574 PRESSAVG: 1782000 12.2866 -50.7536 -17.9124 -50.7536 11.1224 31.3305 -17.9124 31.3304 -21.8078 GPRESSAVG: 1782000 13.5201 -51.1937 -18.8675 -48.1351 11.5399 31.1523 -17.2238 29.7829 -22.9768 TIMING: 1782000 CPU: 5173.65, 0.00289069/step Wall: 5173.65, 0.00289069/step, 2.58395 hours remaining, 206.757812 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: 1782000 747.7746 2082.3978 1944.9375 108.2870 -205571.8219 17530.1345 0.0000 0.0000 34159.0692 -148999.2213 298.3196 -183158.2906 -148903.8998 300.0119 -19.0392 15.4482 556390.0686 0.5338 0.6944 PRESSURE: 1782200 64.2014 -59.0759 -59.7668 -59.0759 -202.719 40.7714 -59.768 40.7707 -144.312 GPRESSURE: 1782200 100.902 -187.108 -57.1412 4.75715 -210.477 130.133 -33.7716 4.33529 -71.2495 PRESSAVG: 1782200 97.4254 12.5153 -29.5447 12.5152 -68.8926 1.53982 -29.5447 1.53982 -30.7618 GPRESSAVG: 1782200 96.9271 12.5865 -29.6113 12.0808 -69.5723 2.61222 -28.6083 2.68562 -29.3613 TIMING: 1782200 CPU: 5174.23, 0.00289998/step Wall: 5174.23, 0.00289998/step, 2.59209 hours remaining, 206.757812 MB of memory in use. ENERGY: 1782200 736.4744 2087.4156 1988.6017 105.4044 -205857.4005 17550.4655 0.0000 0.0000 34310.0988 -149078.9402 299.6386 -183389.0389 -148988.1819 299.6156 -94.2766 -60.2751 556973.0296 -0.7430 -0.6688 PRESSURE: 1782400 -63.08 175.611 28.9644 175.61 18.4247 -177.572 28.9647 -177.57 29.5147 GPRESSURE: 1782400 -39.2853 113.386 75.2057 163.219 37.1239 -229.045 83.5611 -219.302 87.5467 PRESSAVG: 1782400 41.0883 -38.8835 -11.8062 -38.8835 9.14301 -28.2521 -11.8062 -28.2521 -28.3807 GPRESSAVG: 1782400 40.9604 -37.7511 -11.0872 -41.2809 9.84843 -29.1911 -14.8842 -29.5709 -29.0168 TIMING: 1782400 CPU: 5174.81, 0.00291524/step Wall: 5174.81, 0.00291524/step, 2.60558 hours remaining, 206.757812 MB of memory in use. ENERGY: 1782400 760.2410 2124.0445 1968.1091 100.1243 -206029.0070 17777.3392 0.0000 0.0000 34279.6132 -149019.5356 299.3724 -183299.1489 -148917.5527 299.9462 -5.0469 28.4618 556581.3421 7.2836 7.2640 PRESSURE: 1782600 -304.488 49.4281 92.0332 49.4279 0.545001 20.0177 92.0324 20.0176 -228.279 GPRESSURE: 1782600 -244.962 58.004 97.6675 71.9418 -1.03121 -47.4284 42.7222 74.7555 -194.282 PRESSAVG: 1782600 5.54707 38.3687 3.55071 38.3687 37.5604 61.218 3.55067 61.2182 -67.3641 GPRESSAVG: 1782600 6.45765 37.6155 2.37299 40.8876 36.6197 59.0799 4.6044 65.9425 -67.5388 TIMING: 1782600 CPU: 5175.39, 0.00291022/step Wall: 5175.39, 0.00291022/step, 2.60092 hours remaining, 206.757812 MB of memory in use. ENERGY: 1782600 779.1579 2076.3699 1949.2032 114.3678 -205749.8646 17492.4131 0.0000 0.0000 34393.0622 -148945.2906 300.3632 -183338.3528 -148848.2132 300.0153 -177.4072 -146.7585 556845.9044 -8.0855 -8.1538 PRESSURE: 1782800 207.827 -21.2404 53.0188 -21.2408 82.6176 144.126 53.0201 144.125 -88.9514 GPRESSURE: 1782800 140.817 -2.07941 -84.318 -9.14512 232.597 158.737 91.2693 164.333 -65.4514 PRESSAVG: 1782800 25.5817 -16.8728 5.86585 -16.8727 -63.2965 26.9705 5.86583 26.9705 31.4509 GPRESSAVG: 1782800 23.7706 -17.3654 4.95238 -17.3051 -61.6317 27.436 7.88689 24.5745 31.4642 TIMING: 1782800 CPU: 5175.97, 0.00290588/step Wall: 5175.97, 0.00290588/step, 2.59689 hours remaining, 206.757812 MB of memory in use. ENERGY: 1782800 743.6077 2150.7906 1958.7714 105.1191 -206205.8433 18001.5034 0.0000 0.0000 34376.6221 -148869.4292 300.2196 -183246.0513 -148766.9267 300.5903 67.1643 102.6544 557229.6855 -2.0880 -2.1323 PRESSURE: 1783000 -73.2215 138.672 178.718 138.671 -129.455 122.898 178.719 122.898 158.713 GPRESSURE: 1783000 -45.139 153.117 152.603 168.37 -111.356 119.601 204.587 120.706 212.723 PRESSAVG: 1783000 6.02409 -17.1693 34.891 -17.1694 -36.5326 68.5293 34.8909 68.5292 -7.93227 GPRESSAVG: 1783000 6.04528 -15.6888 36.8695 -19.0265 -36.8431 68.6627 33.1308 67.7591 -8.69811 TIMING: 1783000 CPU: 5176.55, 0.00290458/step Wall: 5176.55, 0.00290458/step, 2.59557 hours remaining, 206.757812 MB of memory in use. ENERGY: 1783000 749.4270 2120.8727 1955.2122 120.5884 -206209.7484 17834.2784 0.0000 0.0000 34525.6654 -148903.7042 301.5212 -183429.3696 -148806.6208 300.4968 -14.6545 18.7428 557420.6435 -12.8136 -13.1653 PRESSURE: 1783200 -399.957 212.267 7.97734 212.266 -61.5538 -47.4308 7.97711 -47.4294 193.91 GPRESSURE: 1783200 -302.09 184.391 49.1318 190.419 -68.1698 -64.4754 -50.9313 -36.2006 193.469 PRESSAVG: 1783200 -37.572 38.7277 18.3621 38.7277 -39.7072 16.0669 18.3622 16.0668 39.8858 GPRESSAVG: 1783200 -37.2344 37.5391 19.8915 39.0316 -40.8808 18.4922 18.9166 14.1806 40.383 TIMING: 1783200 CPU: 5177.14, 0.00290779/step Wall: 5177.14, 0.00290779/step, 2.59827 hours remaining, 206.757812 MB of memory in use. ENERGY: 1783200 741.4829 2136.6921 1967.4910 109.7434 -205915.4153 17644.6839 0.0000 0.0000 34370.0677 -148945.2542 300.1623 -183315.3219 -148853.2492 300.3337 -89.2001 -58.9305 559057.9960 -12.4644 -12.5774 PRESSURE: 1783400 -137.967 -0.337704 -24.9468 -0.337776 -226.473 12.6758 -24.9467 12.6761 54.629 GPRESSURE: 1783400 -51.9243 -45.0081 -121.239 8.27904 -208.55 34.8083 -27.8236 -60.5767 34.0408 PRESSAVG: 1783400 -33.8307 -11.8685 -19.0433 -11.8685 1.56092 9.4373 -19.0433 9.43729 76.4478 GPRESSAVG: 1783400 -33.9086 -13.0758 -19.0307 -10.7636 1.07313 7.85705 -21.1021 10.0627 76.1856 TIMING: 1783400 CPU: 5177.71, 0.00288562/step Wall: 5177.71, 0.00288562/step, 2.5783 hours remaining, 206.757812 MB of memory in use. ENERGY: 1783400 772.9827 2128.5096 1986.4181 117.4509 -206400.5760 17770.1103 0.0000 0.0000 34556.0881 -149069.0164 301.7869 -183625.1044 -148975.8532 300.1651 -103.2703 -75.4779 557839.2731 14.7260 14.4501 PRESSURE: 1783600 -94.7275 117.156 -53.1312 117.156 -53.8926 17.0044 -53.1317 17.0023 -269.586 GPRESSURE: 1783600 -37.3153 193.104 -63.0352 17.4349 -43.669 -69.2282 -46.0241 58.1013 -231.127 PRESSAVG: 1783600 -83.3673 15.7599 50.3692 15.7598 72.4923 3.45361 50.3692 3.45352 15.7144 GPRESSAVG: 1783600 -83.487 16.0182 46.1172 14.3508 72.8891 2.00062 52.4742 3.23782 15.4839 TIMING: 1783600 CPU: 5178.29, 0.00288428/step Wall: 5178.29, 0.00288428/step, 2.57694 hours remaining, 206.757812 MB of memory in use. ENERGY: 1783600 748.5146 2110.8817 1957.9594 126.8168 -206056.5663 17778.4377 0.0000 0.0000 34333.8548 -149000.1013 299.8461 -183333.9561 -148908.1659 300.6591 -139.4019 -104.0370 558355.1696 1.6131 1.6287 PRESSURE: 1783800 -201.518 35.6945 -56.6644 35.6934 55.575 -165.194 -56.6629 -165.192 -180.061 GPRESSURE: 1783800 -184.186 44.6515 -11.1335 81.6699 89.4088 -149.461 -75.9503 -185.415 -147.386 PRESSAVG: 1783800 -8.15916 -5.23113 -1.90058 -5.23115 1.18492 -1.52239 -1.90066 -1.52248 -1.49265 GPRESSAVG: 1783800 -7.5105 -5.35544 -1.15528 -5.38188 0.122802 -1.61729 -0.257841 -0.393058 -0.746551 TIMING: 1783800 CPU: 5178.87, 0.00288934/step Wall: 5178.87, 0.00288934/step, 2.5813 hours remaining, 206.757812 MB of memory in use. ENERGY: 1783800 731.2823 2126.0930 1978.8720 114.9687 -205981.8163 17579.4932 0.0000 0.0000 34304.1790 -149146.9280 299.5869 -183451.1070 -149040.3947 299.7534 -108.6681 -80.7209 557351.4701 -2.8223 -2.7114 PRESSURE: 1784000 -115.76 29.3307 -47.0466 29.3311 265.693 -34.993 -47.0464 -34.9937 41.3601 GPRESSURE: 1784000 -51.9998 38.369 -25.0883 43.1007 298.726 19.1105 -29.5342 -107.937 33.8831 PRESSAVG: 1784000 -10.4777 -18.3207 -7.82446 -18.3207 46.8379 -71.6944 -7.82444 -71.6945 -26.5068 GPRESSAVG: 1784000 -11.0093 -18.79 -6.13907 -17.1809 47.5771 -72.3815 -10.1335 -71.7887 -26.8267 TIMING: 1784000 CPU: 5179.44, 0.00287831/step Wall: 5179.44, 0.00287831/step, 2.57129 hours remaining, 206.757812 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: 1784000 764.8597 2110.0844 1976.7680 109.9694 -206197.0979 17934.4972 0.0000 0.0000 34355.1754 -148945.7438 300.0323 -183300.9192 -148844.8878 299.6102 63.7642 93.5366 557442.5380 3.2845 3.2471 PRESSURE: 1784200 -222.847 -66.6824 139.892 -66.6818 93.1173 141.441 139.892 141.441 242.123 GPRESSURE: 1784200 -147.741 -92.0674 49.1161 -35.2272 89.3883 214.855 110.65 160.818 266.677 PRESSAVG: 1784200 -70.2476 -52.3488 -6.37724 -52.3487 13.0976 19.7306 -6.37729 19.7307 101.364 GPRESSAVG: 1784200 -70.0445 -51.6991 -5.53214 -51.2485 12.7572 22.0947 -6.91273 19.9619 102.199 TIMING: 1784200 CPU: 5180.02, 0.00287804/step Wall: 5180.02, 0.00287804/step, 2.57089 hours remaining, 206.757812 MB of memory in use. ENERGY: 1784200 718.2445 2145.0919 1958.0134 117.9089 -206140.3788 17811.3596 0.0000 0.0000 34451.0481 -148938.7125 300.8696 -183389.7606 -148849.7910 299.7907 37.4647 69.4417 557420.2777 14.7381 14.9707 LDB: ============= START OF LOAD BALANCING ============== 5183.48 LDB: ============== END OF LOAD BALANCING =============== 5183.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5183.48 LDB: ============= START OF LOAD BALANCING ============== 5183.77 LDB: Largest compute 4821 load 0.031820 is 27.0% of average load 0.117698 LDB: Average compute 0.001713 is 1.5% of average load 0.117698 LDB: TIME 5183.78 LOAD: AVG 0.117698 MAX 0.179129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.832 MB LDB: TIME 5183.78 LOAD: AVG 0.117698 MAX 0.179129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 5183.78 LOAD: AVG 0.117698 MAX 0.179129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5183.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5183.78 PRESSURE: 1784400 102.049 159.668 89.6057 159.667 182.037 96.5633 89.6057 96.5647 -81.3392 GPRESSURE: 1784400 81.1403 235.926 114.907 90.8989 281.319 47.9137 97.5049 99.1962 -54.2072 PRESSAVG: 1784400 -75.548 5.89168 7.24554 5.89172 53.2584 -6.79319 7.24562 -6.79318 0.485794 GPRESSAVG: 1784400 -74.7435 8.45073 4.17309 1.26412 53.1342 -9.82181 9.61237 -6.55331 -0.422488 TIMING: 1784400 CPU: 5180.61, 0.00293901/step Wall: 5180.61, 0.00293901/step, 2.62519 hours remaining, 206.648438 MB of memory in use. ENERGY: 1784400 730.2625 2102.5920 2016.5009 104.6899 -206225.9236 17916.5735 0.0000 0.0000 34380.8420 -148974.4627 300.2564 -183355.3047 -148875.7540 300.4035 67.5824 102.7507 556945.5334 -7.2679 -7.3439 PRESSURE: 1784600 -181.409 213.047 84.0761 213.047 36.7412 -26.8119 84.0764 -26.811 -267.102 GPRESSURE: 1784600 -140.142 236.075 53.109 143.213 49.9128 -88.137 159.553 -5.53275 -230.001 PRESSAVG: 1784600 38.2236 24.6939 -22.2562 24.6939 53.7258 -27.6763 -22.2562 -27.6763 -17.6756 GPRESSAVG: 1784600 37.3631 21.655 -21.9372 29.517 54.143 -25.4625 -21.5037 -28.9144 -17.8351 TIMING: 1784600 CPU: 5181.18, 0.00287957/step Wall: 5181.18, 0.00287957/step, 2.57194 hours remaining, 206.906250 MB of memory in use. ENERGY: 1784600 744.1223 2078.5113 1962.5392 111.9342 -205901.9184 17535.7593 0.0000 0.0000 34570.1708 -148898.8813 301.9099 -183469.0521 -148806.8463 299.8321 -137.2566 -106.7437 557557.7675 24.7579 24.5570 PRESSURE: 1784800 85.6078 -103.298 -88.4635 -103.298 98.0203 -131.402 -88.4632 -131.401 -227.247 GPRESSURE: 1784800 180.082 -111.325 -106.996 -82.4889 63.2092 -182.671 -71.2603 -133.09 -194.097 PRESSAVG: 1784800 13.2794 21.4412 1.24037 21.4412 -31.2418 -0.644813 1.24041 -0.644796 -15.9763 GPRESSAVG: 1784800 13.7324 19.5332 3.19479 22.0808 -31.8606 -1.32584 0.556332 -1.06695 -15.9771 TIMING: 1784800 CPU: 5181.76, 0.00289996/step Wall: 5181.76, 0.00289995/step, 2.58998 hours remaining, 206.906250 MB of memory in use. ENERGY: 1784800 774.7076 2092.8289 1991.1988 115.0129 -206240.3405 17892.9788 0.0000 0.0000 34531.9898 -148841.6236 301.5765 -183373.6134 -148739.8337 300.1959 -14.5398 16.3981 556300.2278 -11.3129 -11.3684 PRESSURE: 1785000 132.129 56.5273 -81.5295 56.5266 71.6083 36.3336 -81.5292 36.3341 137.382 GPRESSURE: 1785000 186.272 45.6976 -12.9266 29.2988 40.9298 18.0139 -76.0755 29.7118 203.372 PRESSAVG: 1785000 -2.78786 -45.6128 25.897 -45.6128 -2.74553 -11.4411 25.897 -11.441 22.3844 GPRESSAVG: 1785000 -2.52681 -43.3346 26.4116 -47.8281 -3.08089 -11.1867 26.4824 -11.1834 22.5749 TIMING: 1785000 CPU: 5182.35, 0.00292825/step Wall: 5182.35, 0.00292825/step, 2.61509 hours remaining, 206.906250 MB of memory in use. ENERGY: 1785000 714.1556 2089.6593 1962.3676 123.5880 -206232.9414 17906.7130 0.0000 0.0000 34302.3307 -149134.1272 299.5708 -183436.4579 -149032.0586 299.7873 113.7065 143.5247 556233.0062 5.6170 5.6557 PRESSURE: 1785200 136.889 11.9547 -73.8022 11.9549 -196.854 12.0855 -73.8013 12.0842 -177.915 GPRESSURE: 1785200 121.876 -53.4159 -24.5763 -3.94621 -81.7939 114.704 -173.194 -30.3522 -160.511 PRESSAVG: 1785200 -28.6899 -3.10694 55.1783 -3.10693 2.05358 -1.84575 55.1784 -1.84576 79.909 GPRESSAVG: 1785200 -28.5183 -3.24465 55.6101 -4.44853 1.18811 -1.12522 54.012 -2.45679 80.895 TIMING: 1785200 CPU: 5182.93, 0.00289246/step Wall: 5182.93, 0.00289246/step, 2.58296 hours remaining, 206.906250 MB of memory in use. ENERGY: 1785200 754.6551 2092.2043 1951.8039 116.8386 -206238.1282 17869.6369 0.0000 0.0000 34207.0916 -149245.8979 298.7390 -183452.9895 -149153.6923 299.4887 -79.2931 -40.1429 557185.0572 17.7576 17.8550 PRESSURE: 1785400 -158.498 46.7045 105.094 46.704 159.468 208.03 105.095 208.031 96.8995 GPRESSURE: 1785400 -89.0227 155.87 138.141 22.6398 220.191 178.631 -4.23794 64.9393 70.3298 PRESSAVG: 1785400 29.3036 51.4685 -27.1852 51.4685 -35.8472 -3.63636 -27.1851 -3.63631 -35.5338 GPRESSAVG: 1785400 28.1514 50.8365 -29.6872 51.7486 -34.3414 -4.43963 -26.8457 -3.06015 -36.0897 TIMING: 1785400 CPU: 5183.51, 0.0028957/step Wall: 5183.51, 0.0028957/step, 2.5857 hours remaining, 206.906250 MB of memory in use. ENERGY: 1785400 758.2919 2055.8494 1941.9210 141.1618 -206389.1511 17914.2276 0.0000 0.0000 34190.2950 -149387.4044 298.5924 -183577.6995 -149292.5680 298.6383 32.6232 67.1659 557667.6641 -14.0258 -14.0932 PRESSURE: 1785600 -155.469 258.722 114.826 258.722 -18.176 -99.9847 114.826 -99.9838 130.383 GPRESSURE: 1785600 -120.874 205.981 26.5211 362.989 54.6423 -27.9267 127.026 -155.126 115.688 PRESSAVG: 1785600 -15.8969 13.5848 55.2535 13.5847 -38.3412 -18.3029 55.2534 -18.3029 45.6966 GPRESSAVG: 1785600 -15.6784 13.9153 57.5294 15.2796 -38.7245 -19.3432 54.7978 -16.8962 45.4158 TIMING: 1785600 CPU: 5184.09, 0.0029145/step Wall: 5184.09, 0.0029145/step, 2.60232 hours remaining, 206.906250 MB of memory in use. ENERGY: 1785600 755.6253 2015.5430 1958.2658 111.4565 -205981.7542 17652.8662 0.0000 0.0000 34145.9703 -149342.0271 298.2053 -183487.9974 -149241.9158 298.3398 -14.4206 16.4855 557560.0548 -2.8472 -2.9957 PRESSURE: 1785800 6.2608 92.4283 145.869 92.4275 -69.2708 -226.713 145.869 -226.713 -73.9274 GPRESSURE: 1785800 33.0379 190.138 173.441 78.4243 -0.934891 -228.274 86.2356 -198.605 -57.7364 PRESSAVG: 1785800 -70.4269 80.7639 -11.5013 80.7639 42.079 -37.4343 -11.5014 -37.4343 48.4782 GPRESSAVG: 1785800 -69.6176 80.4567 -12.3346 82.7144 42.0378 -37.6969 -11.3345 -37.2234 48.4889 TIMING: 1785800 CPU: 5184.67, 0.00292223/step Wall: 5184.67, 0.00292223/step, 2.60906 hours remaining, 206.906250 MB of memory in use. ENERGY: 1785800 742.2108 2122.5850 1982.5219 107.9817 -206131.8919 17646.4684 0.0000 0.0000 34180.6575 -149349.4666 298.5082 -183530.1241 -149250.7957 298.1553 -45.6458 -8.5444 556138.3061 6.7101 6.9697 PRESSURE: 1786000 -35.9104 47.4919 -129.713 47.4917 50.0959 145.833 -129.714 145.833 46.5236 GPRESSURE: 1786000 -11.8901 19.935 -110.421 35.3207 53.6991 161.977 -95.5815 64.6179 126.641 PRESSAVG: 1786000 -3.91334 -5.82329 -25.3074 -5.82339 6.97127 -35.527 -25.3073 -35.527 14.8997 GPRESSAVG: 1786000 -3.5608 -5.15619 -24.0996 -9.8857 6.72533 -34.5544 -25.1436 -34.5429 14.6151 TIMING: 1786000 CPU: 5185.25, 0.00288576/step Wall: 5185.25, 0.00288576/step, 2.57634 hours remaining, 206.906250 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: 1786000 770.0382 2104.7099 1970.0497 115.7236 -206361.9880 17905.0797 0.0000 0.0000 34309.9112 -149186.4756 299.6370 -183496.3868 -149091.0933 298.8639 20.2364 56.1501 555782.6170 5.9859 5.9265 PRESSURE: 1786200 -150.874 114.222 -65.1966 114.222 85.4597 -18.6244 -65.1971 -18.6246 -42.7875 GPRESSURE: 1786200 -167.639 113.365 -59.4132 131.795 150.546 1.67103 -9.45092 4.46235 0.959795 PRESSAVG: 1786200 12.143 0.373658 -8.28709 0.373609 -31.8086 38.0868 -8.28712 38.0869 24.0673 GPRESSAVG: 1786200 10.1808 0.0611874 -9.34619 2.05234 -30.7609 40.1491 -7.98463 34.7013 25.2002 TIMING: 1786200 CPU: 5185.83, 0.00288498/step Wall: 5185.83, 0.00288498/step, 2.57548 hours remaining, 206.906250 MB of memory in use. ENERGY: 1786200 745.5977 2150.5115 1981.4044 109.8354 -206139.8867 17607.5404 0.0000 0.0000 34433.7698 -149111.2274 300.7187 -183544.9973 -149014.8027 299.7851 -36.0673 -5.3776 555942.5467 1.4672 1.5400 PRESSURE: 1786400 -264.773 -77.7401 -3.94882 -77.7397 -43.8537 -11.6331 -3.94915 -11.634 -127.293 GPRESSURE: 1786400 -126.583 -39.8767 41.9034 -80.0336 -23.0813 -26.8546 16.5702 -22.1652 -193.567 PRESSAVG: 1786400 -18.8306 -36.7339 4.88325 -36.7338 -55.2595 15.781 4.88331 15.781 88.25 GPRESSAVG: 1786400 -16.9791 -36.1092 3.92671 -35.2336 -56.0653 13.5108 6.63866 16.2885 86.7617 TIMING: 1786400 CPU: 5186.4, 0.00287434/step Wall: 5186.4, 0.00287434/step, 2.56582 hours remaining, 206.953125 MB of memory in use. ENERGY: 1786400 764.3552 2116.8707 2003.6924 103.1802 -205796.6803 17579.0306 0.0000 0.0000 34183.0315 -149046.5199 298.5289 -183229.5513 -148949.4038 299.3737 -145.3065 -114.4105 557010.4528 4.7200 4.5724 PRESSURE: 1786600 207.267 128.498 90.6682 128.499 -49.6412 76.6839 90.668 76.6853 18.6013 GPRESSURE: 1786600 177.812 48.6955 14.0459 193.354 25.1007 95.0132 80.7624 -10.3122 68.7604 PRESSAVG: 1786600 -106.029 35.6272 22.6531 35.6272 18.759 42.4284 22.653 42.4284 130.205 GPRESSAVG: 1786600 -107.468 33.3685 23.6535 34.123 19.6866 40.7946 20.3651 43.7085 131.333 TIMING: 1786600 CPU: 5186.98, 0.00290687/step Wall: 5186.98, 0.00290687/step, 2.5947 hours remaining, 206.953125 MB of memory in use. ENERGY: 1786600 729.1534 2124.8854 1990.8418 137.0652 -206500.8333 17838.5155 0.0000 0.0000 34356.3724 -149323.9996 300.0427 -183680.3720 -149221.1090 299.8527 58.7422 90.5578 556828.7438 14.3118 14.5171 PRESSURE: 1786800 37.5188 76.5122 25.6088 76.5112 -32.672 105.429 25.609 105.429 466.508 GPRESSURE: 1786800 83.5025 137.546 35.375 56.3743 35.2913 81.4958 -21.9255 95.2437 454.77 PRESSAVG: 1786800 45.9757 -11.5391 38.0152 -11.5391 -42.2526 -24.4411 38.0152 -24.441 -25.7513 GPRESSAVG: 1786800 45.952 -11.6987 39.0186 -10.1289 -41.8628 -22.6312 39.136 -25.5621 -25.9706 TIMING: 1786800 CPU: 5187.56, 0.00289656/step Wall: 5187.56, 0.00289656/step, 2.58534 hours remaining, 206.953125 MB of memory in use. ENERGY: 1786800 756.4160 2073.4010 1990.1839 122.1153 -206830.4547 18182.3923 0.0000 0.0000 34301.6094 -149404.3367 299.5645 -183705.9461 -149309.1252 299.0252 157.1182 191.1881 555809.6541 -7.3428 -7.2938 PRESSURE: 1787000 33.4641 -37.9058 44.4154 -37.9048 127.069 -10.9363 44.4153 -10.9361 -45.9771 GPRESSURE: 1787000 8.30645 -58.5145 59.734 78.9087 219.216 38.9637 -11.2055 -91.9655 -31.4759 PRESSAVG: 1787000 -36.6224 31.8942 -38.902 31.8942 -31.5463 -35.0743 -38.902 -35.0743 37.746 GPRESSAVG: 1787000 -36.8683 31.5739 -40.9246 31.425 -30.4271 -36.3095 -38.5861 -32.6641 36.9884 TIMING: 1787000 CPU: 5188.14, 0.00288759/step Wall: 5188.14, 0.00288759/step, 2.57717 hours remaining, 207.011719 MB of memory in use. ENERGY: 1787000 747.1443 2086.6560 1976.1798 111.2222 -206304.3790 17773.8879 0.0000 0.0000 34146.1013 -149463.1874 298.2064 -183609.2888 -149369.8282 298.7953 38.1853 65.3488 556706.9399 -10.1409 -10.1023 PRESSURE: 1787200 -142.745 69.5702 5.38801 69.5704 -60.2615 133.547 5.38816 133.547 450.131 GPRESSURE: 1787200 -82.1753 71.2331 45.774 -22.127 -10.0354 83.3703 -28.9032 231.551 442.892 PRESSAVG: 1787200 -28.768 20.9905 9.26171 20.9904 -6.03352 38.2532 9.26175 38.2532 55.6815 GPRESSAVG: 1787200 -28.1854 22.1827 10.6832 20.8366 -6.29848 38.4787 6.62582 37.3116 55.3671 TIMING: 1787200 CPU: 5188.72, 0.00288712/step Wall: 5188.72, 0.00288712/step, 2.57659 hours remaining, 207.011719 MB of memory in use. ENERGY: 1787200 740.4496 2073.4692 1978.1078 107.0699 -206579.5907 18024.0694 0.0000 0.0000 34251.6111 -149404.8138 299.1278 -183656.4248 -149309.9967 298.4256 82.3749 116.8937 555619.8850 6.9600 6.9611 PRESSURE: 1787400 -337.097 50.4908 -47.1903 50.4925 117.744 225.329 -47.1906 225.327 63.9123 GPRESSURE: 1787400 -289.08 96.8066 -8.84335 -70.0514 120.179 163.778 -1.07895 186.505 112.468 PRESSAVG: 1787400 -62.0274 -11.955 12.1135 -11.9548 13.2842 47.6485 12.1135 47.6486 23.8549 GPRESSAVG: 1787400 -61.4526 -11.4448 11.2124 -13.2447 12.5187 46.6173 13.2038 48.7749 24.3834 TIMING: 1787400 CPU: 5189.29, 0.00288394/step Wall: 5189.29, 0.00288394/step, 2.5736 hours remaining, 207.011719 MB of memory in use. ENERGY: 1787400 746.4274 2090.3283 1960.3902 122.2443 -205960.2886 17657.7900 0.0000 0.0000 34024.4342 -149358.6743 297.1438 -183383.1085 -149264.0131 298.5950 -51.8134 -18.8109 557361.0288 -8.2961 -8.1835 PRESSURE: 1787600 -230.471 52.5421 285.702 52.5409 38.7645 1.75246 285.702 1.75274 -177.28 GPRESSURE: 1787600 -162.177 184.039 307.545 -44.1859 82.9137 41.0774 253.097 -95.9105 -199.263 PRESSAVG: 1787600 -64.3491 -11.4696 21.334 -11.4696 33.4742 61.5128 21.3341 61.5128 0.493568 GPRESSAVG: 1787600 -64.4412 -10.6846 22.5743 -11.182 34.5915 63.217 22.3853 59.2841 -0.498267 TIMING: 1787600 CPU: 5189.87, 0.00288758/step Wall: 5189.87, 0.00288758/step, 2.57668 hours remaining, 207.011719 MB of memory in use. ENERGY: 1787600 771.3496 2097.0030 1942.0090 108.2799 -205943.2953 17682.0665 0.0000 0.0000 34285.8600 -149056.7273 299.4269 -183342.5873 -148965.5006 299.0569 -122.9954 -92.8422 557478.3872 -10.1271 -10.1160 PRESSURE: 1787800 62.7436 100.882 158.168 100.883 -285.319 -33.4458 158.168 -33.4431 159.19 GPRESSURE: 1787800 111.08 189.362 111.166 74.9224 -224.4 -50.0484 129.094 -14.7232 158.266 PRESSAVG: 1787800 0.475842 47.7417 0.590812 47.7417 -24.9456 -3.47958 0.590769 -3.47964 42.5698 GPRESSAVG: 1787800 0.340267 46.8361 -1.07792 50.3297 -25.8239 -4.35774 -1.85823 -1.45922 43.0722 TIMING: 1787800 CPU: 5190.45, 0.00288003/step Wall: 5190.45, 0.00288003/step, 2.56979 hours remaining, 207.011719 MB of memory in use. ENERGY: 1787800 718.9087 2101.5379 1933.2521 102.3854 -205862.4318 17609.8750 0.0000 0.0000 34324.6460 -149071.8268 299.7657 -183396.4728 -148974.7930 299.4897 -21.1286 14.9820 556097.7298 6.0333 5.8629 PRESSURE: 1788000 2.47945 181.734 -10.4401 181.734 248.728 86.4983 -10.4402 86.4983 -195.078 GPRESSURE: 1788000 12.1007 150.85 -129.753 39.4705 244.435 110.662 38.9044 99.34 -102.306 PRESSAVG: 1788000 13.5171 8.90705 24.4151 8.90713 -38.243 -22.7346 24.4152 -22.7347 41.8227 GPRESSAVG: 1788000 13.9768 7.82614 24.4359 8.64524 -38.8483 -21.4727 26.6284 -26.2576 42.0079 TIMING: 1788000 CPU: 5191.02, 0.00286248/step Wall: 5191.02, 0.00286248/step, 2.55397 hours remaining, 207.011719 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: 1788000 760.9230 2143.5011 1941.5915 112.9964 -206254.6676 17955.8260 0.0000 0.0000 34165.2786 -149174.5510 298.3739 -183339.8296 -149079.4653 299.8648 18.7100 51.4098 556225.6710 5.6989 5.7121 PRESSURE: 1788200 -310.659 9.94518 -73.2475 9.94476 12.7939 -93.9943 -73.2479 -93.9944 -271.321 GPRESSURE: 1788200 -232.874 27.342 -105.935 -16.6211 31.0662 -142.334 30.044 28.8874 -267.462 PRESSAVG: 1788200 -92.2383 14.2909 23.5833 14.291 133.206 -4.77498 23.5834 -4.77493 -17.7798 GPRESSAVG: 1788200 -92.2411 15.191 25.3879 12.8089 133.911 -5.63556 23.7143 -2.37799 -17.9792 TIMING: 1788200 CPU: 5191.6, 0.00288895/step Wall: 5191.6, 0.00288895/step, 2.57743 hours remaining, 207.011719 MB of memory in use. ENERGY: 1788200 766.6354 2072.0539 1981.5744 114.4488 -205829.8270 17514.1921 0.0000 0.0000 34376.1691 -149004.7534 300.2156 -183380.9224 -148900.0107 300.2417 -189.7289 -156.4234 557088.4026 7.7293 7.8968 LDB: ============= START OF LOAD BALANCING ============== 5195.06 LDB: ============== END OF LOAD BALANCING =============== 5195.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5195.06 LDB: ============= START OF LOAD BALANCING ============== 5195.35 LDB: Largest compute 4821 load 0.030048 is 25.5% of average load 0.117763 LDB: Average compute 0.001718 is 1.5% of average load 0.117763 LDB: TIME 5195.35 LOAD: AVG 0.117763 MAX 0.176368 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.227 MB LDB: TIME 5195.36 LOAD: AVG 0.117763 MAX 0.176368 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 5195.36 LOAD: AVG 0.117763 MAX 0.176368 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 5195.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5195.36 PRESSURE: 1788400 144.213 139.608 192.941 139.608 31.6219 -4.61808 192.942 -4.61807 110.418 GPRESSURE: 1788400 164.315 74.267 251.795 112.795 63.149 7.96621 129.25 -19.2403 152.43 PRESSAVG: 1788400 15.2398 30.9059 -22.9412 30.9058 28.2179 29.7011 -22.9413 29.7011 -52.1958 GPRESSAVG: 1788400 15.3645 31.2697 -24.4238 29.8961 28.7463 30.2037 -23.0789 29.702 -52.3909 TIMING: 1788400 CPU: 5192.19, 0.00294034/step Wall: 5192.19, 0.00294034/step, 2.62311 hours remaining, 205.671875 MB of memory in use. ENERGY: 1788400 731.8954 2104.0355 1973.7748 134.4322 -206393.6505 17968.9522 0.0000 0.0000 34463.5486 -149017.0117 300.9787 -183480.5603 -148921.2909 299.7584 95.4176 126.6313 555296.3413 -2.9127 -2.7601 PRESSURE: 1788600 123.685 68.2557 -78.0321 68.2563 237.795 13.1615 -78.0315 13.1622 59.039 GPRESSURE: 1788600 197.391 162.934 -35.111 -61.664 221.397 23.4445 -89.2349 72.0544 103.347 PRESSAVG: 1788600 3.64443 3.32665 84.7416 3.32662 -19.4575 -33.6393 84.7416 -33.6392 -0.661004 GPRESSAVG: 1788600 4.13085 4.0686 85.855 4.55169 -21.0019 -33.8143 86.1187 -34.1831 0.325467 TIMING: 1788600 CPU: 5192.76, 0.00286294/step Wall: 5192.76, 0.00286294/step, 2.5539 hours remaining, 205.742188 MB of memory in use. ENERGY: 1788600 751.0832 2090.3999 1974.7862 93.4105 -205922.5733 17775.7313 0.0000 0.0000 34399.9835 -148837.1787 300.4236 -183237.1621 -148747.8544 300.4841 140.1729 174.0450 554931.1173 -5.4914 -5.5152 PRESSURE: 1788800 368.038 38.8066 103.552 38.8074 -185.153 -162.563 103.552 -162.564 242.166 GPRESSURE: 1788800 374.109 -60.1656 169.693 123.029 -112.199 -200.328 117.789 -158.642 270.686 PRESSAVG: 1788800 56.0435 30.0734 -4.43356 30.0734 -8.4545 -13.8547 -4.43356 -13.8547 -6.69958 GPRESSAVG: 1788800 56.7822 27.5452 -3.97403 28.2027 -7.44777 -11.5724 -6.06144 -15.1266 -8.17847 TIMING: 1788800 CPU: 5193.33, 0.00286234/step Wall: 5193.33, 0.00286234/step, 2.55321 hours remaining, 205.984375 MB of memory in use. ENERGY: 1788800 745.0902 2034.8410 1952.6099 128.1839 -206201.3758 17887.9464 0.0000 0.0000 34471.2379 -148981.4665 301.0459 -183452.7045 -148878.6195 300.0665 141.6839 177.5321 555371.0162 13.6298 13.7186 PRESSURE: 1789000 -125.966 141.64 -80.3753 141.641 -79.7361 16.2146 -80.376 16.2147 40.5516 GPRESSURE: 1789000 -99.7278 77.8847 11.4015 183.781 -56.3795 -4.43678 -72.1756 3.9179 97.9112 PRESSAVG: 1789000 -26.9733 12.3228 -12.9216 12.3229 -12.7007 -4.07502 -12.9215 -4.075 11.4344 GPRESSAVG: 1789000 -27.3033 13.4554 -11.6801 13.6804 -12.3446 -6.00132 -12.7625 -2.89126 11.3807 TIMING: 1789000 CPU: 5193.9, 0.0028617/step Wall: 5193.9, 0.0028617/step, 2.55248 hours remaining, 205.984375 MB of memory in use. ENERGY: 1789000 731.3310 2100.1866 1945.8910 125.3113 -206048.7848 17669.8074 0.0000 0.0000 34461.8893 -149014.3681 300.9643 -183476.2575 -148911.9448 299.9255 -55.0501 -19.3987 556664.6138 -9.4132 -9.4224 PRESSURE: 1789200 38.7291 -99.3999 30.4611 -99.3994 82.0774 -85.7894 30.4601 -85.789 332.262 GPRESSURE: 1789200 144.98 -80.0654 98.6988 -133.767 64.3566 -68.9308 30.0251 -55.6753 343.46 PRESSAVG: 1789200 -15.6774 -17.0501 -59.2481 -17.0501 4.45656 38.4975 -59.248 38.4974 46.5224 GPRESSAVG: 1789200 -15.8229 -17.2446 -61.073 -17.5658 4.39865 37.7591 -57.5793 39.6857 46.4341 TIMING: 1789200 CPU: 5194.48, 0.00286836/step Wall: 5194.48, 0.00286836/step, 2.55826 hours remaining, 206.148438 MB of memory in use. ENERGY: 1789200 745.7572 2062.4838 1953.5142 111.6851 -206203.1136 18024.9040 0.0000 0.0000 34277.8673 -149026.9020 299.3571 -183304.7693 -148934.9290 299.2608 151.0227 184.2655 555589.8678 11.7672 11.6700 PRESSURE: 1789400 1.9296 -158.117 -18.7756 -158.117 -3.88469 291.226 -18.7753 291.227 91.079 GPRESSURE: 1789400 11.1169 -161.23 -4.23201 -121.39 43.3573 299.629 -42.9612 222.757 132.94 PRESSAVG: 1789400 -31.745 -17.9134 47.5437 -17.9134 -27.3075 -15.8142 47.5437 -15.8143 79.2445 GPRESSAVG: 1789400 -32.3666 -19.2038 47.3803 -17.0935 -27.1928 -15.2887 45.2027 -16.7619 79.6173 TIMING: 1789400 CPU: 5195.05, 0.00287735/step Wall: 5195.05, 0.00287735/step, 2.56611 hours remaining, 206.148438 MB of memory in use. ENERGY: 1789400 735.4072 2117.0329 1942.5120 121.1884 -205924.5766 17741.1541 0.0000 0.0000 34298.7115 -148968.5704 299.5392 -183267.2819 -148874.6159 299.5881 29.7080 62.4713 557154.2809 6.7307 6.6860 PRESSURE: 1789600 82.3319 -125.057 149.272 -125.056 -323.588 -172.485 149.272 -172.484 -333.466 GPRESSURE: 1789600 74.3418 -102.818 109.312 -120.529 -297.709 -196.844 112.219 -161.414 -255.747 PRESSAVG: 1789600 -1.66344 -15.7609 -3.12587 -15.7609 -2.50543 -1.72139 -3.1259 -1.72144 17.198 GPRESSAVG: 1789600 -1.83485 -15.0342 -2.76019 -15.9065 -3.65151 -3.19669 -3.35673 -0.971698 18.777 TIMING: 1789600 CPU: 5195.63, 0.00288584/step Wall: 5195.63, 0.00288584/step, 2.57352 hours remaining, 206.148438 MB of memory in use. ENERGY: 1789600 722.8766 2048.5604 1979.0715 108.8529 -205603.4470 17432.2033 0.0000 0.0000 34522.9344 -148788.9477 301.4974 -183311.8822 -148688.0613 299.8799 -191.5741 -159.7049 559102.3116 4.3430 4.4302 PRESSURE: 1789800 -26.8712 -8.04193 -53.8678 -8.04162 79.1065 138.239 -53.8684 138.239 -296.783 GPRESSURE: 1789800 -21.1512 -28.8533 -54.9733 28.32 121.74 44.7191 -32.3648 193.013 -243.857 PRESSAVG: 1789800 61.5374 23.818 -4.92909 23.8181 -80.5803 5.39601 -4.929 5.39605 -12.3107 GPRESSAVG: 1789800 61.6421 22.155 -6.37717 25.3903 -80.0887 4.61595 -3.54218 6.62068 -13.4702 TIMING: 1789800 CPU: 5196.21, 0.00289885/step Wall: 5196.21, 0.00289885/step, 2.58497 hours remaining, 206.148438 MB of memory in use. ENERGY: 1789800 739.7436 2048.6237 1971.6907 119.9975 -205618.4270 17652.9413 0.0000 0.0000 34375.0137 -148710.4166 300.2055 -183085.4302 -148604.3021 300.6074 -81.5159 -47.7560 558812.1749 -10.4512 -10.6389 PRESSURE: 1790000 94.9856 -50.635 -202.278 -50.632 45.9495 75.4763 -202.279 75.4759 -112.517 GPRESSURE: 1790000 152.61 -103.466 -252.208 -21.1471 54.565 11.335 -156.866 31.1117 -91.9641 PRESSAVG: 1790000 43.8632 -6.21191 -15.9474 -6.21194 -22.367 31.1648 -15.9474 31.165 -26.5895 GPRESSAVG: 1790000 44.7185 -3.36508 -15.6217 -8.54803 -22.8473 32.9226 -16.3772 29.2218 -26.7461 TIMING: 1790000 CPU: 5196.79, 0.00289387/step Wall: 5196.79, 0.00289387/step, 2.58036 hours remaining, 206.148438 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: 1790000 730.4050 2045.0976 1929.4853 101.9098 -206004.1757 17942.1455 0.0000 0.0000 34364.0241 -148891.1085 300.1096 -183255.1325 -148794.5417 300.4279 9.4727 38.4035 558157.2099 -1.6978 -1.6250 PRESSURE: 1790200 98.7814 -129.319 12.9886 -129.317 74.9626 -53.5982 12.9889 -53.5993 116.952 GPRESSURE: 1790200 163.251 -133.582 -40.3216 -47.792 115.136 -12.7099 -24.2394 3.21307 120.96 PRESSAVG: 1790200 -28.4404 -38.0849 -1.18281 -38.0848 44.2967 -31.6097 -1.18282 -31.6097 23.5128 GPRESSAVG: 1790200 -28.5714 -39.8249 -1.92434 -36.7384 44.783 -31.5745 0.58226 -32.6118 23.3387 TIMING: 1790200 CPU: 5197.37, 0.00290248/step Wall: 5197.37, 0.00290248/step, 2.58788 hours remaining, 206.148438 MB of memory in use. ENERGY: 1790200 717.4649 2064.8181 1968.1074 113.4109 -206013.1285 17853.9095 0.0000 0.0000 34461.2930 -148834.1248 300.9590 -183295.4179 -148739.5910 299.8440 96.8986 133.1158 558160.2581 13.1230 13.1834 PRESSURE: 1790400 -144.853 41.6289 33.0225 41.6271 59.6798 -117.532 33.0229 -117.531 -176.61 GPRESSURE: 1790400 -186.978 35.2364 51.1386 81.3752 90.2032 -135.611 29.7707 -142.859 -67.9551 PRESSAVG: 1790400 -42.9671 -59.9001 -40.2393 -59.9 1.2164 -43.6746 -40.2393 -43.6746 106.844 GPRESSAVG: 1790400 -43.2174 -58.9785 -37.1672 -60.4839 1.82534 -43.106 -41.5086 -42.0972 106.586 TIMING: 1790400 CPU: 5197.95, 0.00290966/step Wall: 5197.95, 0.00290966/step, 2.59413 hours remaining, 206.148438 MB of memory in use. ENERGY: 1790400 766.6191 2093.1077 1976.6232 116.8997 -205725.6955 17625.4537 0.0000 0.0000 34291.9823 -148855.0097 299.4804 -183146.9920 -148761.4443 300.2787 -87.2612 -54.9098 558676.6952 21.6976 21.7313 PRESSURE: 1790600 35.5389 22.7766 25.594 22.7767 -267.032 190.57 25.5938 190.571 -5.34379 GPRESSURE: 1790600 -16.4418 -87.8067 46.815 137.017 -202.608 195.025 1.6724 135.62 89.2558 PRESSAVG: 1790600 44.7425 49.917 -6.60165 49.9171 -91.7233 67.7872 -6.6016 67.7873 22.9053 GPRESSAVG: 1790600 43.6938 48.9033 -9.06995 50.0348 -91.0846 67.7255 -5.51854 68.4762 23.2202 TIMING: 1790600 CPU: 5198.53, 0.0028798/step Wall: 5198.53, 0.0028798/step, 2.56734 hours remaining, 206.148438 MB of memory in use. ENERGY: 1790600 757.8892 2145.7529 1952.6602 97.5294 -206148.5188 17848.0946 0.0000 0.0000 34379.8719 -148966.7206 300.2480 -183346.5925 -148870.1012 299.4250 -78.9458 -43.2646 558933.7307 -8.0251 -8.0569 PRESSURE: 1790800 -48.6019 232.854 -35.282 232.855 -139.18 9.76485 -35.2811 9.76514 -110.085 GPRESSURE: 1790800 0.974711 136.325 -3.38375 233.02 -94.357 18.8897 -84.6792 66.204 -110.769 PRESSAVG: 1790800 -10.361 24.9653 -5.23599 24.9653 28.251 68.3796 -5.23587 68.3796 -9.16192 GPRESSAVG: 1790800 -8.97948 24.7686 -2.42089 22.9476 27.0572 65.7754 -6.13012 69.6718 -9.55073 TIMING: 1790800 CPU: 5199.1, 0.00287746/step Wall: 5199.1, 0.00287746/step, 2.5651 hours remaining, 206.148438 MB of memory in use. ENERGY: 1790800 733.1409 2075.7457 1990.9925 124.6132 -206023.4560 17643.1183 0.0000 0.0000 34415.9498 -149039.8955 300.5630 -183455.8453 -148946.2357 299.8568 -99.2887 -68.0505 557118.1978 2.9094 2.8423 PRESSURE: 1791000 -389.087 97.7984 44.9477 97.7986 45.3454 -172.349 44.9471 -172.349 -308.975 GPRESSURE: 1791000 -409.215 101.014 33.5884 175.497 86.0057 -279.587 69.8232 -116.241 -243.393 PRESSAVG: 1791000 -10.9939 44.9715 61.0214 44.9715 14.7399 -28.3013 61.0214 -28.3011 68.9952 GPRESSAVG: 1791000 -12.2583 47.1783 60.485 46.0103 15.0878 -26.7956 61.4403 -30.7329 69.8307 TIMING: 1791000 CPU: 5199.68, 0.00290342/step Wall: 5199.68, 0.00290342/step, 2.58808 hours remaining, 206.148438 MB of memory in use. ENERGY: 1791000 794.6758 2133.5352 1974.1345 118.9578 -206036.9591 17613.1451 0.0000 0.0000 34305.6549 -149096.8558 299.5998 -183402.5107 -148990.0505 299.7289 -217.5720 -188.8673 557024.0173 24.2471 24.2201 PRESSURE: 1791200 -62.5163 -98.7299 -70.7895 -98.7298 -109.598 247.53 -70.7883 247.529 -81.7524 GPRESSURE: 1791200 -100.687 -11.735 -202.579 -78.5533 -49.9603 212.639 -111.546 204.726 -17.7346 PRESSAVG: 1791200 -30.7602 0.194397 -4.4147 0.194246 10.7442 13.305 -4.41462 13.305 9.18067 GPRESSAVG: 1791200 -30.0466 -1.93688 -4.90754 3.21293 11.0671 15.1866 -5.17757 12.3783 8.48679 TIMING: 1791200 CPU: 5200.26, 0.00286162/step Wall: 5200.26, 0.00286162/step, 2.55066 hours remaining, 206.148438 MB of memory in use. ENERGY: 1791200 726.5689 2145.9137 1975.9763 112.6729 -206223.1961 17863.9074 0.0000 0.0000 34336.0466 -149062.1104 299.8652 -183398.1570 -148965.5087 299.4180 -84.6222 -56.1274 558269.4781 -3.6118 -3.4976 PRESSURE: 1791400 97.2876 -10.5088 57.4002 -10.5109 59.8637 -8.04408 57.4006 -8.04586 94.3484 GPRESSURE: 1791400 157.474 -37.9615 10.08 43.279 89.9053 51.4066 112.558 -2.86553 95.1959 PRESSAVG: 1791400 26.2015 57.9152 0.136816 57.9152 -0.937809 -49.4511 0.136809 -49.4511 1.16867 GPRESSAVG: 1791400 26.9381 58.753 0.0482778 56.3277 -1.66737 -50.7029 0.429968 -47.7761 0.599465 TIMING: 1791400 CPU: 5200.83, 0.00288045/step Wall: 5200.83, 0.00288045/step, 2.56728 hours remaining, 206.148438 MB of memory in use. ENERGY: 1791400 731.6244 2098.4079 1983.8137 118.0464 -206218.1428 17837.4896 0.0000 0.0000 34361.8645 -149086.8962 300.0907 -183448.7607 -148986.5169 300.1573 83.8332 114.1919 558510.8986 8.8108 8.6234 PRESSURE: 1791600 38.5384 -100.628 183.638 -100.628 3.94319 71.7388 183.637 71.7384 -50.9766 GPRESSURE: 1791600 16.8058 -108.22 132.394 25.4794 62.653 41.0081 178.206 82.1277 8.15898 PRESSAVG: 1791600 -46.8236 3.42528 29.7222 3.42531 -8.66917 -3.2536 29.7223 -3.25355 27.5491 GPRESSAVG: 1791600 -47.1531 3.96123 28.8114 2.90418 -8.89184 -3.39203 30.3446 -1.5835 28.1214 TIMING: 1791600 CPU: 5201.41, 0.00287759/step Wall: 5201.41, 0.00287759/step, 2.56457 hours remaining, 206.148438 MB of memory in use. ENERGY: 1791600 797.9695 2062.3211 1961.1703 116.5522 -206295.2088 17884.3967 0.0000 0.0000 34356.2091 -149116.5900 300.0413 -183472.7991 -149019.5946 299.9458 -2.8317 29.2059 557636.0446 -9.3146 -9.3079 PRESSURE: 1791800 -137.494 -44.4435 -74.2955 -44.4435 -164.687 -48.1612 -74.296 -48.1625 15.1178 GPRESSURE: 1791800 -130.392 55.3463 -93.1796 -41.0189 -116.922 -150.224 -82.4729 24.5644 55.6499 PRESSAVG: 1791800 -29.3845 -40.0312 -15.0207 -40.0312 1.97824 -26.8857 -15.0207 -26.8858 61.1053 GPRESSAVG: 1791800 -30.1066 -38.1356 -14.1172 -42.1507 2.06794 -27.5189 -15.5963 -25.5319 60.8595 TIMING: 1791800 CPU: 5201.98, 0.00287254/step Wall: 5201.98, 0.00287254/step, 2.55991 hours remaining, 206.148438 MB of memory in use. ENERGY: 1791800 752.1871 2057.8664 1974.1546 128.4620 -205936.5206 17575.9215 0.0000 0.0000 34314.0343 -149133.8947 299.6730 -183447.9289 -149038.4071 298.6846 -95.6878 -63.8880 557976.3480 11.2330 10.9403 PRESSURE: 1792000 -252.237 -17.5673 43.8831 -17.5673 -260.069 -54.3036 43.8852 -54.3034 -10.1781 GPRESSURE: 1792000 -215.539 25.724 -7.71643 -58.573 -213.79 -112.843 72.7876 -43.1751 -4.02266 PRESSAVG: 1792000 -53.5544 16.4701 -18.189 16.47 -63.0592 12.3823 -18.1891 12.3822 116.917 GPRESSAVG: 1792000 -53.1722 14.1618 -17.5449 17.1897 -61.9535 12.2611 -17.0925 11.9535 115.53 TIMING: 1792000 CPU: 5202.56, 0.0028736/step Wall: 5202.56, 0.0028736/step, 2.5607 hours remaining, 206.148438 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: 1792000 781.2092 2041.0500 1976.4161 107.6421 -206275.3163 17802.2167 0.0000 0.0000 34358.8208 -149207.9613 300.0641 -183566.7821 -149117.0395 298.4790 -174.1612 -144.4505 558645.5084 0.1011 0.1347 PRESSURE: 1792200 -22.1024 -43.0313 87.3055 -43.0312 142.818 124.536 87.3045 124.536 158.366 GPRESSURE: 1792200 17.7015 -26.4901 17.8008 -13.4245 191.43 144.932 140.029 62.2695 165.933 PRESSAVG: 1792200 10.8177 -18.2039 8.84034 -18.2039 -23.0333 7.31804 8.84026 7.3181 53.8396 GPRESSAVG: 1792200 10.7938 -16.9253 7.96045 -17.0134 -25.0578 9.10878 7.80934 5.08283 56.2208 TIMING: 1792200 CPU: 5203.13, 0.00287694/step Wall: 5203.13, 0.00287694/step, 2.56352 hours remaining, 206.148438 MB of memory in use. ENERGY: 1792200 730.7873 2064.8928 1982.2066 114.8284 -206476.7693 18092.5899 0.0000 0.0000 34293.8319 -149197.6324 299.4966 -183491.4643 -149094.6728 299.0871 93.0272 125.0213 559475.4045 13.8746 13.9856 LDB: ============= START OF LOAD BALANCING ============== 5206.6 LDB: ============== END OF LOAD BALANCING =============== 5206.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5206.6 LDB: ============= START OF LOAD BALANCING ============== 5206.89 LDB: Largest compute 4821 load 0.030475 is 25.9% of average load 0.117699 LDB: Average compute 0.001721 is 1.5% of average load 0.117699 LDB: TIME 5206.89 LOAD: AVG 0.117699 MAX 0.178674 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 5206.89 LOAD: AVG 0.117699 MAX 0.178674 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: TIME 5206.89 LOAD: AVG 0.117699 MAX 0.178674 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5206.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5206.9 PRESSURE: 1792400 -163.567 65.8279 129.42 65.8294 40.0077 -24.8983 129.419 -24.8987 -131.818 GPRESSURE: 1792400 -150.851 68.715 146.211 14.4941 70.2893 -63.3802 72.8102 20.451 -85.5612 PRESSAVG: 1792400 -51.0619 -52.7621 -15.6973 -52.7623 46.1647 -45.9956 -15.6974 -45.9957 -1.65713 GPRESSAVG: 1792400 -49.7501 -54.1531 -15.9312 -52.6978 46.1864 -47.822 -14.7072 -43.0945 -2.29147 TIMING: 1792400 CPU: 5203.72, 0.00294421/step Wall: 5203.72, 0.00294421/step, 2.62329 hours remaining, 205.925781 MB of memory in use. ENERGY: 1792400 772.0442 2072.3332 2006.0475 113.0714 -206132.1839 17841.5687 0.0000 0.0000 34201.7768 -149125.3421 298.6926 -183327.1189 -149027.7800 298.8533 -85.1256 -55.3743 558418.7564 -2.1848 -1.9517 PRESSURE: 1792600 -226.243 63.0322 -102.049 63.0319 62.6718 78.3961 -102.05 78.3963 12.9394 GPRESSURE: 1792600 -222.665 75.2133 -119.29 34.7491 113.389 165.712 -160.507 101.288 50.4456 PRESSAVG: 1792600 6.87057 -16.5 -5.21499 -16.5 -55.6829 41.3733 -5.21492 41.3732 22.536 GPRESSAVG: 1792600 5.87096 -15.5307 -6.44099 -17.5425 -54.1598 43.1192 -4.22071 39.7774 21.9921 TIMING: 1792600 CPU: 5204.3, 0.00288736/step Wall: 5204.3, 0.00288736/step, 2.57248 hours remaining, 206.183594 MB of memory in use. ENERGY: 1792600 753.1816 2085.6596 1996.0062 121.7667 -205978.3325 17601.7154 0.0000 0.0000 34230.8428 -149189.1604 298.9465 -183420.0031 -149091.7973 298.8871 -50.2107 -19.6103 556902.5883 -8.7588 -8.7656 PRESSURE: 1792800 -180.273 196.678 -30.5664 196.678 -69.0052 79.4322 -30.5661 79.4313 -65.8323 GPRESSURE: 1792800 -95.7405 167.889 -46.8514 243.772 -42.7401 74.4226 31.8048 99.4065 -65.3586 PRESSAVG: 1792800 -11.6075 -18.4409 4.96629 -18.4408 54.8719 -48.0169 4.96628 -48.0169 -0.929408 GPRESSAVG: 1792800 -10.4646 -21.2027 7.59499 -16.0537 53.6213 -49.9658 2.82004 -46.2081 -0.384648 TIMING: 1792800 CPU: 5204.88, 0.0028947/step Wall: 5204.88, 0.0028947/step, 2.57886 hours remaining, 206.183594 MB of memory in use. ENERGY: 1792800 738.8510 2066.7623 1984.2029 119.9031 -206144.6047 17662.5067 0.0000 0.0000 34393.6160 -149178.7628 300.3680 -183572.3787 -149085.8753 300.2296 -105.0367 -67.9464 555897.1768 14.1117 14.2574 PRESSURE: 1793000 -143.763 83.3743 -108.658 83.3759 20.0776 -77.9522 -108.658 -77.9537 525.476 GPRESSURE: 1793000 -163.343 55.4412 -118.669 85.9401 79.9929 -30.8555 -127.784 -58.0224 584.176 PRESSAVG: 1793000 -115.839 102.83 25.3272 102.83 110.935 -41.537 25.3272 -41.5371 62.2399 GPRESSAVG: 1793000 -116.374 108.169 25.203 98.582 111.488 -38.9675 27.458 -44.8274 62.2166 TIMING: 1793000 CPU: 5205.46, 0.00289631/step Wall: 5205.46, 0.00289631/step, 2.58013 hours remaining, 206.445312 MB of memory in use. ENERGY: 1793000 756.7623 2089.6026 1962.7705 122.8290 -206458.6996 18059.9128 0.0000 0.0000 34155.4969 -149311.3255 298.2884 -183466.8224 -149206.7915 299.8023 133.9302 166.9420 557387.4408 19.1119 19.1102 PRESSURE: 1793200 -34.7397 -154.593 -87.8403 -154.594 237.443 -37.6789 -87.8395 -37.6795 55.0381 GPRESSURE: 1793200 50.2266 -122.302 -16.5203 -174.821 190.964 -1.83655 -107.788 -20.09 111.598 PRESSAVG: 1793200 -10.0241 20.1493 -44.7561 20.1493 54.7731 -50.6111 -44.756 -50.6112 5.42308 GPRESSAVG: 1793200 -9.96769 15.218 -44.542 23.3519 54.7501 -52.6902 -47.0957 -47.9209 4.80596 TIMING: 1793200 CPU: 5206.03, 0.00288047/step Wall: 5206.03, 0.00288047/step, 2.56586 hours remaining, 206.457031 MB of memory in use. ENERGY: 1793200 737.0261 2100.5600 1967.5930 107.2998 -206363.0729 17917.4095 0.0000 0.0000 34214.8035 -149318.3810 298.8064 -183533.1845 -149222.3807 299.4688 85.9139 117.5960 557538.4006 16.7240 16.5295 PRESSURE: 1793400 -141.135 -104.549 -91.0034 -104.549 -134.927 -22.9504 -91.0036 -22.9515 -226.23 GPRESSURE: 1793400 -153.113 -138.596 -155.541 -196.934 -88.0641 -96.9609 52.6228 65.8446 -157.849 PRESSAVG: 1793400 -22.5208 -69.4432 17.5282 -69.4433 22.4155 -14.829 17.5282 -14.829 22.661 GPRESSAVG: 1793400 -23.306 -70.018 18.2679 -70.4903 22.6902 -12.4867 19.4808 -17.5335 22.9317 TIMING: 1793400 CPU: 5206.61, 0.00288938/step Wall: 5206.61, 0.00288938/step, 2.57363 hours remaining, 206.457031 MB of memory in use. ENERGY: 1793400 771.2369 2074.7487 1960.2923 121.7590 -205877.7548 17533.7393 0.0000 0.0000 34038.3135 -149377.6651 297.2651 -183415.9786 -149285.9800 299.0438 -167.4307 -133.0087 557908.9130 7.5185 7.4386 PRESSURE: 1793600 -97.7567 -43.3612 -64.2395 -43.3609 -288.131 -103.963 -64.2389 -103.965 -8.12451 GPRESSURE: 1793600 -80.2631 -5.66849 -28.7837 -87.948 -282.891 -83.2943 -19.4996 -201.171 65.8791 PRESSAVG: 1793600 -7.30961 10.0308 12.0327 10.0308 -63.4678 11.8471 12.0327 11.8471 56.1631 GPRESSAVG: 1793600 -6.15057 11.6656 12.4659 12.0474 -64.8359 10.931 10.9067 12.4132 56.8318 TIMING: 1793600 CPU: 5207.19, 0.00292111/step Wall: 5207.19, 0.00292111/step, 2.60174 hours remaining, 206.457031 MB of memory in use. ENERGY: 1793600 734.3699 2086.5769 1932.4076 129.9482 -206503.0953 17775.3777 0.0000 0.0000 34432.9692 -149411.4459 300.7117 -183844.4151 -149317.6074 298.5136 -131.3373 -99.0916 557644.0751 -4.8714 -4.7182 PRESSURE: 1793800 -93.2664 227.991 71.657 227.991 13.5341 251.99 71.6585 251.989 334.763 GPRESSURE: 1793800 -54.0422 161.828 143.604 279.827 29.6981 293.562 56.7329 226.407 372.602 PRESSAVG: 1793800 0.621123 24.0561 -8.82616 24.0559 -26.95 -2.17231 -8.82617 -2.1723 9.13697 GPRESSAVG: 1793800 0.00987403 24.0724 -9.99699 22.8315 -25.7558 -3.22645 -7.7515 -1.01248 8.7986 TIMING: 1793800 CPU: 5207.78, 0.0029116/step Wall: 5207.78, 0.0029116/step, 2.59311 hours remaining, 206.457031 MB of memory in use. ENERGY: 1793800 739.2245 2045.6311 1967.2687 120.7005 -206433.7666 18008.7792 0.0000 0.0000 34140.6255 -149411.5372 298.1586 -183552.1627 -149318.5234 297.9566 85.0103 116.0860 557977.7484 -5.7306 -5.6491 PRESSURE: 1794000 -135.976 -63.1366 -21.2534 -63.1379 -26.6269 36.3806 -21.2535 36.3817 102.162 GPRESSURE: 1794000 -36.6858 -25.7587 -55.7059 -75.3664 -20.7436 40.5211 32.7856 42.6503 103.079 PRESSAVG: 1794000 -52.9274 48.3819 23.1641 48.3819 39.3713 50.6634 23.1641 50.6634 52.2701 GPRESSAVG: 1794000 -52.2509 50.2332 24.0414 48.0846 39.2856 53.899 21.5742 49.2679 50.7393 TIMING: 1794000 CPU: 5208.35, 0.00288932/step Wall: 5208.35, 0.00288932/step, 2.5731 hours remaining, 206.457031 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: 1794000 712.1657 2113.7744 1949.9659 129.8778 -206183.3849 17675.1020 0.0000 0.0000 34200.3506 -149402.1486 298.6802 -183602.4992 -149309.3878 299.0840 -20.1468 15.2166 558569.3654 12.9047 12.5913 PRESSURE: 1794200 134.082 -40.311 127.376 -40.3102 241.148 101.74 127.378 101.74 225.471 GPRESSURE: 1794200 124.769 -34.0045 96.7338 -124.342 311.826 83.216 132.373 150.274 266.88 PRESSAVG: 1794200 -80.9096 14.9644 -37.6944 14.9645 9.83523 3.68516 -37.6944 3.6852 1.32298 GPRESSAVG: 1794200 -81.2101 14.4212 -40.1004 16.3875 8.72521 1.69516 -35.7054 4.83429 2.63323 TIMING: 1794200 CPU: 5208.93, 0.00289597/step Wall: 5208.93, 0.00289597/step, 2.57886 hours remaining, 206.457031 MB of memory in use. ENERGY: 1794200 728.4678 2100.2384 1963.2064 123.3629 -206696.7395 18221.3525 0.0000 0.0000 34253.9231 -149306.1885 299.1480 -183560.1116 -149219.1017 298.1962 200.2335 234.4918 556886.0975 -23.2505 -23.2839 PRESSURE: 1794400 189.86 -0.529724 -17.1655 -0.528635 -242.299 81.5147 -17.1643 81.513 -61.7971 GPRESSURE: 1794400 227.429 1.21544 -48.4172 -29.7947 -213.324 76.8546 76.0932 109.316 -39.522 PRESSAVG: 1794400 -24.3107 -10.7322 -38.9591 -10.7322 30.2697 38.8063 -38.9591 38.8064 4.30667 GPRESSAVG: 1794400 -24.3819 -13.4212 -37.7707 -11.4865 30.472 37.7676 -37.7414 37.5265 4.32304 TIMING: 1794400 CPU: 5209.52, 0.00290826/step Wall: 5209.52, 0.00290826/step, 2.58964 hours remaining, 206.457031 MB of memory in use. ENERGY: 1794400 724.7490 2147.4931 1951.8575 120.8172 -206105.5742 17674.0839 0.0000 0.0000 34165.7968 -149320.7767 298.3784 -183486.5736 -149232.9322 299.2318 -38.0789 -8.4723 557187.4678 3.4219 3.4710 PRESSURE: 1794600 -355.264 16.8954 -23.262 16.894 -151.423 41.1732 -23.2612 41.1722 -300.318 GPRESSURE: 1794600 -290.702 32.8713 -51.0985 -49.5411 -126.89 -32.3491 43.8865 51.0442 -293.259 PRESSAVG: 1794600 -14.9115 -56.003 -15.1163 -56.003 31.4034 28.5033 -15.1164 28.5033 -16.6014 GPRESSAVG: 1794600 -14.9013 -54.2039 -14.2123 -55.7475 31.7767 30.3778 -17.2873 26.2905 -17.1438 TIMING: 1794600 CPU: 5210.1, 0.00290599/step Wall: 5210.1, 0.00290599/step, 2.58746 hours remaining, 206.496094 MB of memory in use. ENERGY: 1794600 741.2508 2069.2987 1960.2969 107.7005 -205912.4930 17488.1502 0.0000 0.0000 34299.4450 -149246.3510 299.5456 -183545.7960 -149149.5589 299.4735 -269.0013 -236.9505 557763.5734 -0.0365 -0.0895 PRESSURE: 1794800 217.224 -75.9748 103.948 -75.9745 -104.616 110.405 103.948 110.406 12.7069 GPRESSURE: 1794800 216.895 -99.936 1.71165 -47.3304 -15.0852 72.2351 79.97 221.025 17.4521 PRESSAVG: 1794800 10.7898 14.8196 -28.2917 14.8196 26.8468 0.981394 -28.2917 0.981472 -30.0285 GPRESSAVG: 1794800 11.4323 14.9113 -29.8563 12.3257 27.4901 0.010517 -28.7045 4.75601 -31.6836 TIMING: 1794800 CPU: 5210.68, 0.00290018/step Wall: 5210.68, 0.00290018/step, 2.58213 hours remaining, 206.496094 MB of memory in use. ENERGY: 1794800 707.7720 2101.9244 1955.2269 115.8813 -206085.7894 17715.0655 0.0000 0.0000 34088.0113 -149401.9079 297.6991 -183489.9192 -149310.6109 298.9498 41.7715 73.0873 556645.5670 2.5361 2.4129 PRESSURE: 1795000 9.61979 72.7692 16.207 72.7695 73.2369 -33.1765 16.2081 -33.1764 86.4398 GPRESSURE: 1795000 61.8087 2.12597 -54.7277 84.1667 149.103 -13.1399 57.8765 -43.014 58.943 PRESSAVG: 1795000 1.23325 25.7677 -36.672 25.7677 -0.320935 20.0021 -36.672 20.0021 38.8999 GPRESSAVG: 1795000 0.118048 25.722 -35.9448 25.8315 -0.382257 20.9598 -35.8538 18.189 40.556 TIMING: 1795000 CPU: 5211.25, 0.00287407/step Wall: 5211.25, 0.00287407/step, 2.55872 hours remaining, 206.496094 MB of memory in use. ENERGY: 1795000 715.9483 2078.9801 1950.1585 101.4302 -206343.9698 17742.9715 0.0000 0.0000 34266.5879 -149487.8933 299.2586 -183754.4813 -149393.9527 298.6395 56.4322 89.9516 556515.2008 13.2708 13.4306 PRESSURE: 1795200 16.6543 119.687 -58.5879 119.687 -388.092 38.256 -58.5885 38.2557 124.976 GPRESSURE: 1795200 56.9616 158.863 -30.9944 134.665 -371.231 160.009 -54.2422 -99.1492 157.061 PRESSAVG: 1795200 15.6984 -5.02053 -8.26981 -5.02057 39.4689 10.2672 -8.26988 10.2672 -34.4921 GPRESSAVG: 1795200 16.1806 -7.26095 -7.53546 -3.01602 39.8336 9.00116 -7.44482 9.82703 -35.1617 TIMING: 1795200 CPU: 5211.83, 0.0028849/step Wall: 5211.83, 0.0028849/step, 2.56821 hours remaining, 206.496094 MB of memory in use. ENERGY: 1795200 764.3418 2063.8017 1972.8504 107.6820 -206356.5191 17781.3530 0.0000 0.0000 34126.4046 -149540.0856 298.0344 -183666.4902 -149441.6448 298.5606 -82.1539 -52.4027 556866.9467 6.8918 6.9508 PRESSURE: 1795400 -25.59 95.5841 32.9777 95.5836 -38.9795 167.649 32.9786 167.649 -42.0457 GPRESSURE: 1795400 17.9715 137.922 92.0721 75.9811 -39.2884 122.851 -39.4204 246.149 22.9317 PRESSAVG: 1795400 -26.0144 57.7566 -25.3531 57.7566 -10.2424 -28.6675 -25.3531 -28.6675 -4.19342 GPRESSAVG: 1795400 -26.2706 57.8013 -25.8779 57.1439 -11.2171 -29.2172 -26.6465 -24.8688 -3.29061 TIMING: 1795400 CPU: 5212.41, 0.00290715/step Wall: 5212.41, 0.00290715/step, 2.58785 hours remaining, 206.496094 MB of memory in use. ENERGY: 1795400 734.2167 2095.0412 1942.0784 125.4169 -206256.9320 17780.6699 0.0000 0.0000 34157.7013 -149421.8077 298.3077 -183579.5090 -149336.7721 298.8320 -35.5384 0.5382 556993.4030 -13.4834 -13.5928 PRESSURE: 1795600 -53.8391 -39.1858 111.681 -39.1863 168.716 -88.7773 111.682 -88.7775 -54.7038 GPRESSURE: 1795600 1.64181 -61.0187 45.6069 -55.2168 168.838 -99.8717 106.908 -35.6862 -20.6946 PRESSAVG: 1795600 53.8885 1.83397 -41.9206 1.83399 -25.9454 7.88342 -41.9206 7.88355 11.0368 GPRESSAVG: 1795600 55.4121 2.48434 -41.6586 2.87593 -26.4819 9.02077 -42.3849 5.85814 10.2617 TIMING: 1795600 CPU: 5212.99, 0.00289518/step Wall: 5212.99, 0.00289518/step, 2.57703 hours remaining, 206.496094 MB of memory in use. ENERGY: 1795600 780.3961 2063.8532 1954.8343 115.1336 -206593.0632 18069.0097 0.0000 0.0000 34066.3798 -149543.4563 297.5102 -183609.8362 -149453.3224 298.6050 20.0577 49.9284 557938.9474 12.9933 13.0639 PRESSURE: 1795800 134.32 -4.34028 -94.2704 -4.34125 233.241 9.42594 -94.2699 9.42523 -110.037 GPRESSURE: 1795800 183.498 0.768835 -72.1806 -11.8623 276.671 -69.658 -22.2951 28.5504 -97.2657 PRESSAVG: 1795800 18.7086 13.248 6.78855 13.248 7.93413 -16.9199 6.78851 -16.92 0.318688 GPRESSAVG: 1795800 18.3425 15.7995 7.77363 11.3621 8.92653 -19.1511 6.93544 -15.1714 -0.308794 TIMING: 1795800 CPU: 5213.56, 0.00287601/step Wall: 5213.56, 0.00287601/step, 2.55981 hours remaining, 206.496094 MB of memory in use. ENERGY: 1795800 736.2787 2077.0026 1988.4081 105.4387 -206491.8387 18054.1683 0.0000 0.0000 34044.7521 -149485.7901 297.3213 -183530.5422 -149384.0838 298.4317 85.8412 120.9675 556638.5700 8.9872 8.9867 PRESSURE: 1796000 341.191 -19.6962 -79.4728 -19.6961 187.072 69.3534 -79.4744 69.3523 -20.1693 GPRESSURE: 1796000 389.947 21.152 -58.2965 -36.4307 202.663 72.7818 -10.2109 124.176 31.3706 PRESSAVG: 1796000 65.3067 -50.3271 27.0628 -50.3271 -29.1285 14.8753 27.0627 14.8751 -21.8977 GPRESSAVG: 1796000 65.2992 -50.7388 25.0057 -50.4656 -29.9423 17.6621 26.687 13.475 -21.4734 TIMING: 1796000 CPU: 5214.14, 0.00288747/step Wall: 5214.14, 0.00288747/step, 2.56985 hours remaining, 206.496094 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: 1796000 740.7306 2102.3223 1944.0612 119.9222 -206281.9620 17998.8607 0.0000 0.0000 33873.4299 -149502.6352 295.8251 -183376.0651 -149411.2012 298.8332 169.3647 207.9936 555800.2341 4.7602 4.6279 PRESSURE: 1796200 7.73408 88.3825 -45.8698 88.382 -132.186 69.504 -45.8692 69.5056 -93.805 GPRESSURE: 1796200 100.783 -46.2328 -13.5562 124.594 -99.3306 81.0827 -78.7674 108.612 -124.764 PRESSAVG: 1796200 39.6423 22.1804 -70.945 22.1804 -61.7479 3.07984 -70.945 3.07983 3.16255 GPRESSAVG: 1796200 39.2421 21.0947 -72.7065 22.6504 -61.3927 2.00075 -68.3414 2.73759 2.89416 TIMING: 1796200 CPU: 5214.72, 0.00289616/step Wall: 5214.72, 0.00289616/step, 2.57742 hours remaining, 206.496094 MB of memory in use. ENERGY: 1796200 707.6211 2063.0176 1980.7325 113.9296 -205990.1504 17660.4533 0.0000 0.0000 34184.4826 -149279.9137 298.5416 -183464.3963 -149183.1736 298.6851 -72.7524 -41.1040 556488.0912 -6.3144 -6.4188 LDB: ============= START OF LOAD BALANCING ============== 5218.18 LDB: ============== END OF LOAD BALANCING =============== 5218.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5218.18 LDB: ============= START OF LOAD BALANCING ============== 5218.47 LDB: Largest compute 4821 load 0.031611 is 26.9% of average load 0.117683 LDB: Average compute 0.001735 is 1.5% of average load 0.117683 LDB: TIME 5218.47 LOAD: AVG 0.117683 MAX 0.17845 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.391 MB LDB: TIME 5218.47 LOAD: AVG 0.117683 MAX 0.17845 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.391 MB LDB: TIME 5218.47 LOAD: AVG 0.117683 MAX 0.17845 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5218.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5218.48 PRESSURE: 1796400 -253.549 -3.54815 114.734 -3.54901 148.459 44.8154 114.735 44.816 24.1519 GPRESSURE: 1796400 -217.765 -33.1871 120.314 -92.5346 144.061 18.7528 22.1683 56.9613 89.0625 PRESSAVG: 1796400 -8.85612 30.1114 -42.4566 30.1114 -29.4407 9.20229 -42.4565 9.20239 55.91 GPRESSAVG: 1796400 -8.58387 30.5643 -40.2095 29.4732 -30.4648 10.7127 -44.4877 9.98663 56.7279 TIMING: 1796400 CPU: 5215.3, 0.00291966/step Wall: 5215.3, 0.00291966/step, 2.59817 hours remaining, 206.925781 MB of memory in use. ENERGY: 1796400 739.2484 2084.2672 1978.3417 113.8885 -206080.5328 17620.8325 0.0000 0.0000 34264.8025 -149279.1519 299.2430 -183543.9544 -149180.9982 299.2963 -26.9792 5.1197 556605.9628 5.8711 5.8931 PRESSURE: 1796600 -203.175 -32.1653 -82.1412 -32.1651 -110.189 118.321 -82.1417 118.321 -38.2617 GPRESSURE: 1796600 -176.601 -53.9912 -56.9806 29.7239 -48.2085 157.842 -55.1769 43.6391 -29.9636 PRESSAVG: 1796600 -39.3663 3.96519 -9.55132 3.96516 -30.8653 -49.6736 -9.55136 -49.6736 48.0908 GPRESSAVG: 1796600 -39.923 2.44699 -9.54662 6.476 -30.805 -50.0001 -10.0377 -50.4532 48.3148 TIMING: 1796600 CPU: 5215.88, 0.00286845/step Wall: 5215.88, 0.00286845/step, 2.55244 hours remaining, 207.035156 MB of memory in use. ENERGY: 1796600 700.7989 2116.9306 1965.0404 124.9617 -205796.0145 17499.3768 0.0000 0.0000 34302.2545 -149086.6516 299.5701 -183388.9062 -148991.7630 299.2947 -117.2084 -84.9245 557871.1688 -7.3803 -7.4711 PRESSURE: 1796800 66.2455 171.021 -114.963 171.021 135.364 88.9413 -114.962 88.9425 438.635 GPRESSURE: 1796800 95.071 253.032 -24.4569 175.001 178.868 149.036 -169.345 94.0247 464.525 PRESSAVG: 1796800 -47.9129 -11.5371 -12.8409 -11.5371 42.5233 4.44156 -12.8409 4.44153 56.5627 GPRESSAVG: 1796800 -47.528 -11.3088 -11.8326 -12.0708 42.6122 4.1641 -12.7128 4.32043 55.8382 TIMING: 1796800 CPU: 5216.46, 0.00289636/step Wall: 5216.46, 0.00289636/step, 2.57712 hours remaining, 207.035156 MB of memory in use. ENERGY: 1796800 726.6142 2156.3199 1989.3682 111.9769 -206148.1012 18108.9924 0.0000 0.0000 34134.1303 -148920.6992 298.1018 -183054.8295 -148828.8773 299.9997 213.4146 246.1547 557094.4198 17.0577 16.9741 PRESSURE: 1797000 30.5783 74.3518 2.08592 74.3504 -231.869 170.422 2.08554 170.421 360.919 GPRESSURE: 1797000 135.438 43.4561 31.3044 -12.7997 -125.376 87.1827 14.8378 142.72 255.144 PRESSAVG: 1797000 -15.7242 0.0793129 -11.3426 0.0793058 -53.9805 26.0335 -11.3426 26.0334 53.7378 GPRESSAVG: 1797000 -15.8837 1.46107 -12.3862 -1.31251 -53.248 26.1575 -10.0406 26.1844 53.4376 TIMING: 1797000 CPU: 5217.03, 0.00288497/step Wall: 5217.03, 0.00288497/step, 2.56682 hours remaining, 207.035156 MB of memory in use. ENERGY: 1797000 731.7994 2083.7722 1979.9027 107.4676 -205953.1060 17805.4026 0.0000 0.0000 34406.5276 -148838.2340 300.4808 -183244.7616 -148739.8731 299.5326 53.2094 88.4018 557573.6371 -5.3223 -5.2313 PRESSURE: 1797200 -183.212 75.7621 143.771 75.7615 -155.121 -155.646 143.771 -155.646 -160.509 GPRESSURE: 1797200 -149.68 123.264 174.614 -7.07337 -160.84 -134.038 102.338 -195.774 -94.4088 PRESSAVG: 1797200 -16.9331 7.53507 26.3561 7.5351 -23.1777 9.20854 26.3562 9.20859 30.6003 GPRESSAVG: 1797200 -17.6303 7.54535 25.96 7.96392 -23.8827 11.9318 27.6782 6.24709 32.4826 TIMING: 1797200 CPU: 5217.61, 0.00286973/step Wall: 5217.61, 0.00286973/step, 2.5531 hours remaining, 207.035156 MB of memory in use. ENERGY: 1797200 760.8782 2084.4177 1974.9549 102.7899 -205611.3318 17540.4611 0.0000 0.0000 34290.3807 -148857.4493 299.4664 -183147.8300 -148755.9427 299.6873 -166.2807 -134.9763 559183.9445 -3.1702 -3.0101 PRESSURE: 1797400 89.0024 -69.3948 70.1591 -69.3946 -203.529 37.7901 70.159 37.7912 66.5821 GPRESSURE: 1797400 143.918 -15.7226 13.2967 -101.839 -154.952 80.2918 42.7383 20.5285 62.4609 PRESSAVG: 1797400 -16.1578 34.4739 7.06544 34.4738 0.473636 11.3301 7.0655 11.3303 39.5208 GPRESSAVG: 1797400 -15.7205 34.4971 5.62918 35.2861 1.07113 8.78426 5.33412 15.347 38.6122 TIMING: 1797400 CPU: 5218.19, 0.00288734/step Wall: 5218.19, 0.00288734/step, 2.56861 hours remaining, 207.171875 MB of memory in use. ENERGY: 1797400 759.4720 1999.7793 1976.4231 107.5127 -206029.6580 17854.6520 0.0000 0.0000 34287.3905 -149044.4285 299.4403 -183331.8190 -148947.4494 299.4659 -15.9815 17.1424 558270.5813 7.9455 7.9876 PRESSURE: 1797600 -107.097 120.28 42.9345 120.281 -85.7185 -47.2789 42.9334 -47.2791 -307.797 GPRESSURE: 1797600 -32.618 -17.5528 149.302 208.652 -38.3881 -12.2584 47.1371 -51.9329 -342.35 PRESSAVG: 1797600 3.83901 -59.2861 14.6808 -59.286 0.637757 -7.77759 14.6809 -7.77771 20.5148 GPRESSAVG: 1797600 3.09272 -60.1506 15.4123 -60.2235 0.517549 -8.78549 15.694 -8.12147 20.9505 TIMING: 1797600 CPU: 5218.76, 0.00287206/step Wall: 5218.76, 0.00287206/step, 2.55486 hours remaining, 207.171875 MB of memory in use. ENERGY: 1797600 746.6437 2002.6651 1979.6372 104.7088 -205997.3425 17596.7028 0.0000 0.0000 34677.9348 -148889.0501 302.8510 -183566.9849 -148791.8237 299.6176 -166.8709 -137.7852 559461.0406 8.3305 8.1869 PRESSURE: 1797800 -32.9993 -116.573 86.8178 -116.572 -123.683 -24.5876 86.8148 -24.5878 -92.2198 GPRESSURE: 1797800 4.01139 -97.0077 37.6715 -132.997 -88.4452 16.4369 120 -42.1928 -77.7617 PRESSAVG: 1797800 -70.2858 23.0486 18.6857 23.0486 12.7887 -8.75143 18.6856 -8.75145 14.185 GPRESSAVG: 1797800 -70.4699 23.8449 18.9588 23.3167 12.6979 -6.68155 18.3658 -8.69278 14.3456 TIMING: 1797800 CPU: 5219.33, 0.00286302/step Wall: 5219.33, 0.00286302/step, 2.54666 hours remaining, 207.171875 MB of memory in use. ENERGY: 1797800 784.0147 2084.3356 1960.3869 101.2868 -206030.9713 17806.4062 0.0000 0.0000 34439.1740 -148855.3672 300.7659 -183294.5412 -148761.9743 300.6927 -82.9673 -54.0652 557668.6855 -14.4374 -14.4754 PRESSURE: 1798000 -77.6059 -22.3608 82.2502 -22.3591 -160.832 105.652 82.2487 105.651 -375.581 GPRESSURE: 1798000 -96.1768 4.70145 36.4329 -46.5609 -63.1551 1.42689 138.88 127.435 -363.379 PRESSAVG: 1798000 79.222 78.8624 20.7326 78.8622 24.9815 -8.937 20.7326 -8.93701 -81.1432 GPRESSAVG: 1798000 81.3211 79.4724 18.8288 77.0728 24.482 -12.1726 22.9897 -10.0121 -82.4591 TIMING: 1798000 CPU: 5219.91, 0.00288101/step Wall: 5219.91, 0.00288101/step, 2.5625 hours remaining, 207.171875 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: 1798000 698.0532 2066.7742 1976.6491 121.4452 -205430.4548 17406.4800 0.0000 0.0000 34380.1446 -148780.9085 300.2504 -183161.0531 -148684.3210 300.0681 -204.6727 -174.2371 559066.6461 7.6868 7.7813 PRESSURE: 1798200 -285.039 -19.5774 96.2582 -19.5764 19.9572 37.7447 96.2578 37.7451 -60.6014 GPRESSURE: 1798200 -249.362 -86.8311 86.6707 -38.5683 26.7192 73.6356 65.5002 -7.51851 -0.827675 PRESSAVG: 1798200 -47.4242 21.4402 60.5715 21.4403 108.602 -51.4049 60.5715 -51.4049 -21.7315 GPRESSAVG: 1798200 -47.7525 21.4136 63.3721 21.2005 107.677 -50.9892 58.1606 -51.1024 -20.9607 TIMING: 1798200 CPU: 5220.48, 0.00287473/step Wall: 5220.48, 0.00287473/step, 2.55675 hours remaining, 207.171875 MB of memory in use. ENERGY: 1798200 726.7051 2073.9605 1958.6759 123.9780 -205588.4479 17566.9681 0.0000 0.0000 34266.8190 -148871.3413 299.2607 -183138.1603 -148775.9265 300.0368 -108.5612 -74.4900 557611.8295 13.1489 12.9881 PRESSURE: 1798400 -269.974 19.9936 -17.1333 19.9924 -197.351 58.3757 -17.1332 58.3766 -301.011 GPRESSURE: 1798400 -228.689 31.6293 -47.972 -0.130475 -220.238 116.408 -11.5599 53.8398 -221.981 PRESSAVG: 1798400 2.35069 -18.9346 -41.4876 -18.9346 -35.4504 2.53587 -41.4877 2.53583 -31.0982 GPRESSAVG: 1798400 1.14654 -19.5504 -41.7299 -19.7097 -33.99 1.65994 -42.5539 3.17554 -30.8243 TIMING: 1798400 CPU: 5221.07, 0.00291238/step Wall: 5221.07, 0.00291238/step, 2.59008 hours remaining, 207.171875 MB of memory in use. ENERGY: 1798400 757.2171 2062.0490 2003.8172 107.7059 -205488.2802 17333.9797 0.0000 0.0000 34476.5936 -148746.9176 301.0927 -183223.5111 -148646.9798 300.2386 -256.1119 -223.6361 557303.5302 -21.3993 -21.2226 PRESSURE: 1798600 -433.873 61.095 -89.7661 61.0937 -42.0973 -17.1379 -89.7658 -17.1373 -99.0693 GPRESSURE: 1798600 -345.897 133.292 -109.464 -2.50604 -58.7224 63.0456 -28.8559 -71.2691 -74.4175 PRESSAVG: 1798600 23.7583 3.55738 -1.23295 3.55731 12.4354 32.7217 -1.23299 32.7217 -27.5854 GPRESSAVG: 1798600 23.8885 2.40381 1.6797 7.5691 11.3071 33.1816 -1.57035 33.2215 -27.2062 TIMING: 1798600 CPU: 5221.65, 0.00290853/step Wall: 5221.65, 0.00290853/step, 2.58649 hours remaining, 207.210938 MB of memory in use. ENERGY: 1798600 732.5921 2135.6556 1967.8462 122.5732 -205380.4194 17383.8609 0.0000 0.0000 34461.1352 -148576.7561 300.9577 -183037.8913 -148478.0618 300.8706 -191.6799 -159.6789 558905.6970 2.8694 2.6631 PRESSURE: 1798800 -115.727 -2.22191 -33.4676 -2.22233 131.397 -96.1028 -33.4674 -96.1027 163.84 GPRESSURE: 1798800 -65.7971 -10.1351 -12.6984 17.1366 147.384 -3.73525 -76.6151 -100.027 199.252 PRESSAVG: 1798800 -18.649 -32.069 -26.7417 -32.069 42.0089 0.468282 -26.7416 0.468244 -0.341776 GPRESSAVG: 1798800 -18.9482 -33.4045 -29.6768 -33.2772 42.3274 1.77424 -24.5666 0.0533132 -0.732453 TIMING: 1798800 CPU: 5222.23, 0.00289504/step Wall: 5222.23, 0.00289504/step, 2.57434 hours remaining, 207.210938 MB of memory in use. ENERGY: 1798800 740.8234 2073.7240 1972.2348 115.6342 -205754.2473 17769.7608 0.0000 0.0000 34310.6939 -148771.3763 299.6438 -183082.0702 -148675.7688 300.6189 59.8367 93.6130 558940.4526 7.6727 7.5489 PRESSURE: 1799000 -21.0945 -44.5573 39.2815 -44.5559 118.278 86.8532 39.2818 86.8543 -150.711 GPRESSURE: 1799000 25.6193 -85.4989 -9.14943 -32.4193 146.909 59.7026 78.4601 147.933 -137.489 PRESSAVG: 1799000 -26.8272 5.50478 -91.4853 5.50469 20.9249 -26.9132 -91.4853 -26.9131 -18.7203 GPRESSAVG: 1799000 -26.1564 5.48011 -88.2611 6.53015 21.2085 -27.7627 -94.6069 -26.0233 -19.6955 TIMING: 1799000 CPU: 5222.81, 0.00291624/step Wall: 5222.81, 0.00291624/step, 2.59303 hours remaining, 207.210938 MB of memory in use. ENERGY: 1799000 746.1258 2114.8508 1979.7122 112.5314 -206020.5855 17921.2890 0.0000 0.0000 34348.8316 -148797.2447 299.9769 -183146.0763 -148699.3865 300.5104 -17.8426 11.6796 561441.9456 -8.2075 -8.2145 PRESSURE: 1799200 -97.923 65.7662 -45.5911 65.7656 -241.01 23.1214 -45.5916 23.123 63.4743 GPRESSURE: 1799200 -116.325 100.118 -52.523 108.349 -193.663 123.907 -27.948 64.1155 131.428 PRESSAVG: 1799200 51.6597 27.1934 25.5894 27.1934 -6.78511 57.708 25.5893 57.7082 -60.3919 GPRESSAVG: 1799200 51.202 29.2312 23.1667 23.4817 -6.89832 58.4369 27.2047 58.3261 -59.5616 TIMING: 1799200 CPU: 5223.39, 0.00288884/step Wall: 5223.39, 0.00288884/step, 2.5685 hours remaining, 207.210938 MB of memory in use. ENERGY: 1799200 742.4044 2083.8999 1961.0360 106.8685 -205904.5911 17657.3566 0.0000 0.0000 34616.6459 -148736.3798 302.3158 -183353.0257 -148634.9776 300.6662 -91.8196 -59.5200 558942.8783 -5.1725 -5.0860 PRESSURE: 1799400 -45.9283 -65.5741 62.6905 -65.5741 75.3773 145.125 62.6906 145.126 -80.631 GPRESSURE: 1799400 -12.2983 -63.3664 -12.0894 -43.4755 106.068 196.957 159.427 77.7497 -50.8072 PRESSAVG: 1799400 -15.3105 22.9089 13.5553 22.909 19.6341 51.7952 13.5553 51.7952 25.8586 GPRESSAVG: 1799400 -15.7141 24.4275 12.888 23.4272 18.9681 51.5237 14.6042 49.9122 26.6548 TIMING: 1799400 CPU: 5223.97, 0.0028874/step Wall: 5223.97, 0.0028874/step, 2.56706 hours remaining, 207.210938 MB of memory in use. ENERGY: 1799400 753.8299 2128.1484 1975.9186 106.5694 -205890.7972 17766.0105 0.0000 0.0000 34265.8618 -148894.4586 299.2523 -183160.3204 -148801.1302 300.0165 -17.0606 14.3207 557964.3595 10.0607 9.9696 PRESSURE: 1799600 284.893 -4.60466 282.526 -4.60555 -25.6885 72.1285 282.526 72.1271 -0.940915 GPRESSURE: 1799600 291.452 -30.177 242.14 -45.5676 0.13469 108.852 284.321 39.134 76.7008 PRESSAVG: 1799600 15.847 43.3219 40.2926 43.3219 19.9347 29.5107 40.2926 29.5108 -8.0215 GPRESSAVG: 1799600 16.5956 42.1937 40.3817 43.4338 20.5112 30.4852 40.4818 29.502 -9.3856 TIMING: 1799600 CPU: 5224.54, 0.00289226/step Wall: 5224.54, 0.00289226/step, 2.57122 hours remaining, 207.210938 MB of memory in use. ENERGY: 1799600 731.4027 2105.7164 1950.5736 115.8502 -206357.5575 18027.8625 0.0000 0.0000 34705.0334 -148721.1187 303.0877 -183426.1521 -148623.7004 300.5241 86.0878 122.7624 557425.0613 9.2534 9.2404 PRESSURE: 1799800 -366.584 -90.0198 61.641 -90.0188 31.9858 -81.798 61.6421 -81.7983 -378.195 GPRESSURE: 1799800 -305.87 1.67069 -10.2373 -88.6414 32.7535 -110.311 137.937 -73.5845 -333.961 PRESSAVG: 1799800 -32.0781 -9.08351 47.5585 -9.08348 36.3967 -23.7668 47.5585 -23.7668 -4.22464 GPRESSAVG: 1799800 -32.0692 -7.61539 47.9696 -10.2103 35.6793 -25.1143 47.4051 -24.1051 -3.47979 TIMING: 1799800 CPU: 5225.12, 0.00287553/step Wall: 5225.12, 0.00287553/step, 2.55618 hours remaining, 207.210938 MB of memory in use. ENERGY: 1799800 748.2570 2094.3490 1988.8012 124.9394 -205447.4527 17516.6791 0.0000 0.0000 34255.4104 -148719.0167 299.1610 -182974.4271 -148625.6314 300.7187 -237.5977 -202.3590 558905.4367 0.0313 0.0434 PRESSURE: 1800000 -54.6943 150.193 -62.1585 150.194 100.608 18.0851 -62.159 18.0847 137.955 GPRESSURE: 1800000 -40.2547 142.657 -24.9259 51.8384 177.781 -19.3291 -20.4445 4.20383 148.55 PRESSAVG: 1800000 -75.4954 5.6683 -16.128 5.66832 29.6064 -39.2971 -16.128 -39.2972 25.683 GPRESSAVG: 1800000 -74.8198 3.97871 -17.6706 6.29582 30.2992 -36.7747 -15.5293 -40.7872 23.8294 TIMING: 1800000 CPU: 5225.69, 0.00287587/step Wall: 5225.69, 0.00287587/step, 2.55633 hours remaining, 207.210938 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: 1800000 788.1113 2036.3586 1968.1701 130.6147 -206217.7239 17951.3751 0.0000 0.0000 34499.7953 -148843.2989 301.2953 -183343.0942 -148743.6194 300.8130 61.2895 95.3587 557240.9742 -6.7353 -6.8970 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.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 -55.8729 -145.553 10.4575 -145.554 -85.36 -167.815 10.4573 -167.815 -21.6358 GPRESSURE: 1800200 -43.9039 -186.491 -77.0758 -107.535 -36.8743 -100.846 63.7605 -170.793 15.2451 PRESSAVG: 1800200 -58.2217 -9.13814 -4.25995 -9.13806 4.88899 -32.0917 -4.26 -32.0916 71.3332 GPRESSAVG: 1800200 -59.252 -9.41554 -6.25375 -7.13755 5.34899 -35.6542 -2.94008 -28.1506 72.309 TIMING: 1800200 CPU: 5226.29, 0.00298495/step Wall: 5226.29, 0.00298495/step, 2.65312 hours remaining, 207.210938 MB of memory in use. ENERGY: 1800200 780.5566 2090.4655 1979.8894 114.4630 -205740.8171 17662.3428 0.0000 0.0000 34333.8939 -148779.2059 299.8464 -183113.0998 -148681.7045 300.5847 -54.2896 -21.8444 557308.6855 6.0002 6.1353 LDB: ============= START OF LOAD BALANCING ============== 5229.76 LDB: ============== END OF LOAD BALANCING =============== 5229.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5229.76 LDB: ============= START OF LOAD BALANCING ============== 5230.05 LDB: Largest compute 4821 load 0.032016 is 27.2% of average load 0.117659 LDB: Average compute 0.001732 is 1.5% of average load 0.117659 LDB: TIME 5230.05 LOAD: AVG 0.117659 MAX 0.180269 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 5230.05 LOAD: AVG 0.117659 MAX 0.180269 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 5230.05 LOAD: AVG 0.117659 MAX 0.180269 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5230.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5230.06 PRESSURE: 1800400 288.219 -115.387 -102.828 -115.387 -132.84 75.4051 -102.827 75.4062 -45.7592 GPRESSURE: 1800400 309.284 -79.3415 -57.2391 -65.7167 -73.5526 -23.8276 -130.942 59.9779 -35.1707 PRESSAVG: 1800400 26.5549 -27.7152 -11.5132 -27.7153 0.708804 -51.0075 -11.5132 -51.0075 0.529585 GPRESSAVG: 1800400 26.6867 -28.6305 -5.67951 -27.7677 0.759019 -51.8047 -15.1481 -52.6739 0.259853 TIMING: 1800400 CPU: 5226.88, 0.00295111/step Wall: 5226.88, 0.00295111/step, 2.62288 hours remaining, 206.902344 MB of memory in use. ENERGY: 1800400 775.4929 2075.9306 1977.5528 112.0021 -206088.9678 17942.7585 0.0000 0.0000 34504.4232 -148700.8077 301.3357 -183205.2309 -148610.1425 300.9560 36.5397 66.8537 558727.1134 9.2644 9.2352 PRESSURE: 1800600 -101.576 -6.02993 101.333 -6.03007 104.682 -45.5218 101.332 -45.5222 -41.2969 GPRESSURE: 1800600 -60.2007 16.8372 107.989 10.0177 142.44 -41.4927 111.726 -23.0935 -31.1889 PRESSAVG: 1800600 0.97469 -31.7479 -10.872 -31.7478 4.39796 -19.2464 -10.8721 -19.2464 -16.6786 GPRESSAVG: 1800600 1.137 -30.2191 -13.7634 -32.8302 4.3453 -16.467 -9.12151 -18.6241 -16.9557 TIMING: 1800600 CPU: 5227.46, 0.00289271/step Wall: 5227.46, 0.00289271/step, 2.57081 hours remaining, 207.218750 MB of memory in use. ENERGY: 1800600 729.9319 2108.9161 1961.1797 125.6484 -205534.3684 17638.1640 0.0000 0.0000 34468.5440 -148501.9842 301.0224 -182970.5283 -148411.5435 300.9952 -12.7301 17.0168 559645.5748 -3.7686 -3.8245 PRESSURE: 1800800 26.3136 155.772 -3.20814 155.772 51.0702 56.6599 -3.20746 56.659 72.581 GPRESSURE: 1800800 40.0065 82.5517 51.352 220.389 63.1346 45.4782 7.20008 48.9486 147.418 PRESSAVG: 1800800 1.61454 -9.48712 -12.734 -9.48708 -31.4848 50.8112 -12.734 50.8112 6.43208 GPRESSAVG: 1800800 0.901647 -8.29982 -13.1486 -11.348 -32.3392 51.4271 -11.1491 50.0309 8.18863 TIMING: 1800800 CPU: 5228.04, 0.00289447/step Wall: 5228.04, 0.00289447/step, 2.57222 hours remaining, 207.218750 MB of memory in use. ENERGY: 1800800 757.9187 2128.1084 1954.4068 113.7585 -205639.7310 17855.6705 0.0000 0.0000 34251.2124 -148578.6557 299.1244 -182829.8681 -148479.4583 301.0782 49.9882 83.5198 557526.5938 -7.8127 -7.7497 PRESSURE: 1801000 -295.467 -33.1571 140.698 -33.1561 -150.852 -171.442 140.698 -171.442 44.7432 GPRESSURE: 1801000 -241.381 38.6943 22.5243 -63.9996 -132.637 -38.5637 157.093 -226.046 72.9449 PRESSAVG: 1801000 10.4638 60.8351 49.6238 60.835 -43.194 -17.6108 49.6239 -17.6108 78.1786 GPRESSAVG: 1801000 11.1081 59.522 51.0972 61.642 -42.842 -20.0993 47.6663 -17.9971 77.232 TIMING: 1801000 CPU: 5228.62, 0.0028846/step Wall: 5228.62, 0.0028846/step, 2.56329 hours remaining, 207.218750 MB of memory in use. ENERGY: 1801000 728.3287 2081.8991 1960.9041 121.5459 -205558.5192 17450.0851 0.0000 0.0000 34597.4253 -148618.3309 302.1479 -183215.7562 -148519.9628 300.5685 -133.8587 -100.3579 560223.5530 15.1494 15.1660 PRESSURE: 1801200 -85.9752 127.512 -103.829 127.51 -75.1526 73.4924 -103.83 73.489 -211.296 GPRESSURE: 1801200 -29.404 189.498 -50.405 24.9285 -59.2063 65.7333 -100.807 92.7045 -168.344 PRESSAVG: 1801200 -8.54487 21.2064 61.5474 21.2064 -21.4585 22.7399 61.5474 22.7399 39.3002 GPRESSAVG: 1801200 -9.49465 20.9162 61.1907 22.1619 -21.4848 24.1418 62.1981 23.9131 40.2392 TIMING: 1801200 CPU: 5229.19, 0.00288398/step Wall: 5229.19, 0.00288398/step, 2.56258 hours remaining, 207.218750 MB of memory in use. ENERGY: 1801200 733.6827 2071.0733 1968.6997 128.2035 -205885.0663 17659.6626 0.0000 0.0000 34507.0550 -148816.6897 301.3587 -183323.7446 -148717.3451 301.0984 -124.1413 -85.6514 559447.3112 3.0989 3.0866 PRESSURE: 1801400 -507.772 -91.6946 70.6697 -91.6958 -60.9073 58.5402 70.6701 58.5413 94.9652 GPRESSURE: 1801400 -437.309 -138.733 86.4939 -138.637 -31.5336 61.9015 47.0792 72.2081 93.9084 PRESSAVG: 1801400 -93.7408 11.9186 -9.2646 11.9187 38.8521 -5.20226 -9.26457 -5.20226 -13.3471 GPRESSAVG: 1801400 -94.2498 14.1056 -8.08431 10.5085 39.1576 -4.93789 -9.71391 -6.01092 -13.7748 TIMING: 1801400 CPU: 5229.77, 0.0028697/step Wall: 5229.77, 0.0028697/step, 2.54973 hours remaining, 207.218750 MB of memory in use. ENERGY: 1801400 789.4606 2062.1466 1959.1353 114.0990 -206043.9753 17765.4701 0.0000 0.0000 34453.1688 -148900.4949 300.8881 -183353.6637 -148798.6008 299.6442 -157.9047 -124.9782 560049.9551 -22.7453 -22.9557 PRESSURE: 1801600 -178.242 34.6844 -30.5189 34.6839 -177.985 307.803 -30.5204 307.802 -264.505 GPRESSURE: 1801600 -111.813 89.2399 -30.2649 45.4993 -111.296 311.392 -91.2546 341.106 -306.664 PRESSAVG: 1801600 -18.7527 -8.58651 -11.0851 -8.58659 28.8147 -4.57692 -11.085 -4.5769 33.8379 GPRESSAVG: 1801600 -18.0102 -8.9513 -11.7843 -8.55468 28.9404 -5.01849 -10.8319 -3.52848 33.4288 TIMING: 1801600 CPU: 5230.34, 0.00286578/step Wall: 5230.34, 0.00286579/step, 2.54609 hours remaining, 207.218750 MB of memory in use. ENERGY: 1801600 762.3789 2055.4621 1978.0533 117.6436 -205837.7859 17587.8677 0.0000 0.0000 34422.0543 -148914.3260 300.6164 -183336.3803 -148818.7071 300.2151 -206.9106 -176.5910 559415.4464 14.6333 14.7863 PRESSURE: 1801800 -136.464 45.0564 24.9944 45.0569 -289.103 -45.3801 24.9936 -45.3815 -198.18 GPRESSURE: 1801800 -76.1285 -21.685 8.60561 59.5371 -275.363 -90.4445 0.100033 -23.5019 -174.696 PRESSAVG: 1801800 66.5646 41.3809 -7.72254 41.3809 4.98559 -14.3416 -7.7226 -14.3417 -53.8283 GPRESSAVG: 1801800 67.0385 40.4855 -7.38348 43.3408 4.61649 -13.3853 -6.90208 -14.1369 -53.8831 TIMING: 1801800 CPU: 5230.91, 0.00285173/step Wall: 5230.91, 0.00285173/step, 2.53345 hours remaining, 207.218750 MB of memory in use. ENERGY: 1801800 788.3561 2078.5571 1950.9766 119.2604 -205835.1441 17579.9111 0.0000 0.0000 34116.8351 -149201.2477 297.9508 -183318.0828 -149104.1976 299.4728 -207.9158 -175.3958 558699.5145 5.9073 5.9240 PRESSURE: 1802000 -114.422 -25.2409 100.542 -25.2409 -23.3225 -101.231 100.543 -101.231 -164.745 GPRESSURE: 1802000 -50.0341 -14.3886 109.151 -100.516 -63.835 -138.157 76.7375 31.8839 -87.2959 PRESSAVG: 1802000 17.5547 35.7644 -3.52538 35.7644 -14.151 -49.1994 -3.52542 -49.1993 -24.8764 GPRESSAVG: 1802000 17.4936 35.3525 -2.82181 34.7722 -14.8978 -50.561 -4.16797 -49.5795 -24.0876 TIMING: 1802000 CPU: 5231.48, 0.00286642/step Wall: 5231.48, 0.00286642/step, 2.54634 hours remaining, 207.218750 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: 1802000 745.6790 2129.7948 1948.0109 117.3803 -206094.7857 17654.2445 0.0000 0.0000 34489.1269 -149010.5493 301.2021 -183499.6762 -148913.2978 299.2927 -100.8300 -67.0550 558093.6624 -7.1576 -7.1639 PRESSURE: 1802200 -156.668 -90.0751 127.333 -90.0744 1.90018 34.3187 127.332 34.3167 269.948 GPRESSURE: 1802200 -90.0736 -10.5322 81.5122 -105.006 3.0266 153.16 132.373 71.677 302.858 PRESSAVG: 1802200 20.2174 -19.093 8.97297 -19.0929 -3.6666 -22.9073 8.97295 -22.9071 -25.6181 GPRESSAVG: 1802200 20.2024 -15.5712 6.94254 -19.8142 -2.67118 -22.1679 8.67487 -22.4072 -26.4421 TIMING: 1802200 CPU: 5232.06, 0.00287279/step Wall: 5232.06, 0.00287279/step, 2.55184 hours remaining, 207.218750 MB of memory in use. ENERGY: 1802200 756.5593 2097.5193 1957.7744 112.3849 -206158.5735 17778.5664 0.0000 0.0000 34387.7652 -149068.0039 300.3169 -183455.7691 -148975.0053 299.2677 38.3931 71.9370 555719.7041 -3.0224 -2.9703 PRESSURE: 1802400 -80.234 -89.7812 -121.038 -89.7815 -248.168 -120.881 -121.038 -120.882 -27.6752 GPRESSURE: 1802400 -106.597 -75.4923 -79.2283 -11.343 -153.959 -78.2994 -179.51 -119.727 4.29195 PRESSAVG: 1802400 58.6388 -3.56496 25.8077 -3.56494 -69.5074 -11.6975 25.8077 -11.6976 23.1033 GPRESSAVG: 1802400 57.6465 -6.59675 25.8083 -2.12222 -68.8369 -12.3839 26.4999 -11.8984 23.5767 TIMING: 1802400 CPU: 5232.63, 0.00287231/step Wall: 5232.63, 0.00287231/step, 2.55125 hours remaining, 207.218750 MB of memory in use. ENERGY: 1802400 743.2502 2094.5163 1985.9074 116.5698 -206110.7532 17729.7917 0.0000 0.0000 34289.4602 -149151.2575 299.4584 -183440.7177 -149045.1836 299.4644 -118.6922 -85.4215 558752.3105 4.0782 4.1288 PRESSURE: 1802600 -296.626 -4.10813 -65.6278 -4.1082 -118.339 -19.7636 -65.6273 -19.7628 232.325 GPRESSURE: 1802600 -238.691 -24.4289 -93.5961 20.987 -89.2246 14.7844 -54.6681 -2.38382 245.229 PRESSAVG: 1802600 9.01189 18.8817 31.4873 18.8817 -18.2377 -16.005 31.4872 -16.005 24.7527 GPRESSAVG: 1802600 10.9547 18.0531 32.0115 19.7224 -19.615 -16.848 31.079 -14.291 24.069 TIMING: 1802600 CPU: 5233.21, 0.00289213/step Wall: 5233.21, 0.00289213/step, 2.56869 hours remaining, 207.218750 MB of memory in use. ENERGY: 1802600 726.8879 2103.1160 1966.9363 115.6011 -205949.3490 17619.4692 0.0000 0.0000 34347.1877 -149070.1508 299.9625 -183417.3385 -148972.0457 300.2676 -60.8802 -27.5621 557878.8386 5.1756 5.1363 PRESSURE: 1802800 -278.437 23.3001 20.79 23.3007 -3.01782 66.5443 20.7896 66.5435 36.748 GPRESSURE: 1802800 -220.828 68.1634 34.098 -8.63919 34.8915 70.1228 -4.33002 31.941 46.6597 PRESSAVG: 1802800 24.7195 -16.942 3.22743 -16.9421 -43.5733 -4.11561 3.22744 -4.11565 37.8295 GPRESSAVG: 1802800 24.1025 -12.2872 5.56149 -20.3683 -42.1716 -1.95712 4.10383 -7.75769 36.723 TIMING: 1802800 CPU: 5233.79, 0.00289946/step Wall: 5233.79, 0.00289946/step, 2.57504 hours remaining, 207.218750 MB of memory in use. ENERGY: 1802800 749.3560 2123.2523 1946.5817 107.7087 -206258.7824 17841.5748 0.0000 0.0000 34364.0933 -149126.2157 300.1102 -183490.3090 -149036.0433 299.8414 -81.5689 -46.4257 559327.4057 6.3253 6.2180 PRESSURE: 1803000 -103.503 54.1223 128.764 54.1225 -114.183 -105.772 128.764 -105.772 -12.1593 GPRESSURE: 1803000 -55.4708 54.7343 44.7465 59.5229 -40.3789 -113.659 131.662 -40.6741 -23.7976 PRESSAVG: 1803000 -28.0141 22.1175 37.6283 22.1174 -22.6235 6.98395 37.6282 6.98393 46.6522 GPRESSAVG: 1803000 -28.0858 16.2144 35.5839 25.4789 -23.7239 7.31507 36.9936 9.25986 48.2139 TIMING: 1803000 CPU: 5234.37, 0.00287492/step Wall: 5234.37, 0.00287492/step, 2.55309 hours remaining, 207.218750 MB of memory in use. ENERGY: 1803000 773.1451 2131.3181 1951.3314 113.2060 -205732.6926 17598.0732 0.0000 0.0000 34068.4053 -149097.2135 297.5279 -183165.6188 -149004.7931 299.0673 -76.6151 -39.8824 557445.6136 -1.3285 -1.1986 PRESSURE: 1803200 -372.979 36.1697 -15.8254 36.1686 -53.3649 26.448 -15.8255 26.449 172.865 GPRESSURE: 1803200 -347.648 112.803 -56.0068 15.1654 -14.986 103.106 -23.9896 3.71847 187.15 PRESSAVG: 1803200 -20.3644 12.5072 9.63499 12.5073 71.309 3.03437 9.63506 3.03442 -22.4065 GPRESSAVG: 1803200 -19.8408 16.5712 10.9395 9.72034 70.6849 1.42923 8.42448 2.9101 -23.007 TIMING: 1803200 CPU: 5234.94, 0.00288464/step Wall: 5234.94, 0.00288464/step, 2.56156 hours remaining, 207.218750 MB of memory in use. ENERGY: 1803200 767.0867 2106.5872 1968.1336 104.5186 -205596.6063 17605.4239 0.0000 0.0000 34189.3270 -148855.5293 298.5839 -183044.8563 -148765.6494 299.5496 -84.4930 -58.4947 557140.0223 9.5127 9.2791 PRESSURE: 1803400 -80.2139 -31.408 -136.827 -31.4067 -85.6882 39.0936 -136.827 39.0949 43.2563 GPRESSURE: 1803400 -71.8967 9.74762 -12.2316 -45.5683 -10.9984 81.1522 -154.035 28.425 48.1726 PRESSAVG: 1803400 -66.3481 -13.4086 25.9196 -13.4086 49.0098 -23.547 25.9195 -23.547 38.0199 GPRESSAVG: 1803400 -66.3455 -14.3198 25.4717 -12.0407 49.4802 -22.0278 26.9788 -24.4257 38.1523 TIMING: 1803400 CPU: 5235.52, 0.00288073/step Wall: 5235.52, 0.00288073/step, 2.55793 hours remaining, 207.218750 MB of memory in use. ENERGY: 1803400 717.1720 2116.2956 1950.7712 120.4834 -205694.7110 17690.5368 0.0000 0.0000 34062.1787 -149037.2732 297.4735 -183099.4519 -148942.3603 298.8472 -40.8819 -11.5742 559242.3940 6.8939 7.0957 PRESSURE: 1803600 -127.394 -63.9627 91.2498 -63.9628 58.0279 -123.598 91.2496 -123.597 -197.936 GPRESSURE: 1803600 -74.9352 -94.6532 130.052 -19.2031 80.4342 -126.103 29.924 -129.92 -165.744 PRESSAVG: 1803600 -28.4213 43.2477 -21.2286 43.2477 29.0792 8.17969 -21.2286 8.17968 11.9957 GPRESSAVG: 1803600 -27.9054 43.0988 -24.0038 44.2013 28.0693 8.62675 -19.811 6.94094 12.7418 TIMING: 1803600 CPU: 5236.1, 0.00288162/step Wall: 5236.1, 0.00288162/step, 2.55856 hours remaining, 207.218750 MB of memory in use. ENERGY: 1803600 735.1863 2121.8130 1969.3202 121.9920 -206027.5132 17778.2475 0.0000 0.0000 34293.4152 -149007.5390 299.4929 -183300.9542 -148911.7200 299.8130 -89.1008 -53.4151 558473.5718 4.2179 4.3019 PRESSURE: 1803800 -231.068 8.25947 -19.2057 8.26046 0.777561 -168.397 -19.2058 -168.399 -414.438 GPRESSURE: 1803800 -221.231 -9.31541 34.8819 8.70655 22.9678 -176.71 -1.05041 -228.643 -351.916 PRESSAVG: 1803800 4.19137 -35.5178 28.6296 -35.5178 18.569 -62.042 28.6295 -62.0419 -22.0833 GPRESSAVG: 1803800 2.55864 -36.9182 27.4725 -35.2558 19.9255 -64.3811 28.8347 -60.2929 -22.0707 TIMING: 1803800 CPU: 5236.67, 0.00286574/step Wall: 5236.67, 0.00286574/step, 2.5443 hours remaining, 207.218750 MB of memory in use. ENERGY: 1803800 748.3805 2080.6536 1963.4476 110.1210 -205882.5531 17515.1565 0.0000 0.0000 34419.9431 -149044.8508 300.5979 -183464.7939 -148948.7685 300.3023 -214.9097 -183.3930 557559.9868 0.2257 0.1378 PRESSURE: 1804000 -23.8058 26.9163 -10.1205 26.9168 -87.6673 -13.5858 -10.1208 -13.5855 36.9896 GPRESSURE: 1804000 -5.14419 -29.5871 14.0737 -13.4609 -32.5868 21.0281 -78.8256 -11.7216 71.0106 PRESSAVG: 1804000 15.2418 24.2394 -38.5474 24.2394 11.5542 -18.0736 -38.5474 -18.0736 -1.51877 GPRESSAVG: 1804000 15.3677 23.8999 -36.8862 23.9154 11.0937 -17.3364 -40.6918 -18.2197 -0.698566 TIMING: 1804000 CPU: 5237.24, 0.00285674/step Wall: 5237.24, 0.00285674/step, 2.53615 hours remaining, 207.218750 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: 1804000 736.0005 2131.3138 1970.6351 112.1356 -206200.1572 17768.4812 0.0000 0.0000 34498.4224 -148983.1686 301.2833 -183481.5910 -148889.8568 300.4635 -24.8278 11.0932 557449.6295 8.4258 8.5876 PRESSURE: 1804200 -25.2809 135.615 148.51 135.616 -156.01 -99.6646 148.509 -99.6637 -258.803 GPRESSURE: 1804200 -13.7269 91.6959 161.428 86.0222 -148.708 -128.337 118.69 -61.4066 -185.455 PRESSAVG: 1804200 -79.6906 7.96033 -3.34872 7.96039 39.0056 -5.79412 -3.34873 -5.79398 15.7034 GPRESSAVG: 1804200 -79.7243 9.79178 -3.14517 7.04151 40.347 -4.43281 -2.4388 -6.81917 15.0801 TIMING: 1804200 CPU: 5237.82, 0.00289087/step Wall: 5237.82, 0.00289087/step, 2.56629 hours remaining, 207.230469 MB of memory in use. ENERGY: 1804200 768.4897 2153.4234 1965.3993 108.9662 -205791.3428 17573.1215 0.0000 0.0000 34212.5676 -149009.3750 298.7869 -183221.9426 -148908.0160 300.4402 -146.6980 -115.9633 557007.9927 -8.3272 -8.0991 LDB: ============= START OF LOAD BALANCING ============== 5241.28 LDB: ============== END OF LOAD BALANCING =============== 5241.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5241.28 LDB: ============= START OF LOAD BALANCING ============== 5241.57 LDB: Largest compute 4821 load 0.030324 is 25.8% of average load 0.117689 LDB: Average compute 0.001716 is 1.5% of average load 0.117689 LDB: TIME 5241.57 LOAD: AVG 0.117689 MAX 0.176895 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.371 MB LDB: TIME 5241.57 LOAD: AVG 0.117689 MAX 0.176895 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.371 MB LDB: TIME 5241.57 LOAD: AVG 0.117689 MAX 0.176895 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5241.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5241.58 PRESSURE: 1804400 -471.115 7.25649 -146.874 7.25618 -293.039 86.4071 -146.874 86.4082 -134.912 GPRESSURE: 1804400 -393.232 78.9539 -57.0142 30.7838 -321.771 49.9333 -195.995 133.825 -86.6897 PRESSAVG: 1804400 -38.7855 19.5277 26.6548 19.5278 88.0499 -26.3061 26.6547 -26.3061 -23.8326 GPRESSAVG: 1804400 -39.7214 18.7178 29.2279 20.7171 87.3283 -27.9383 24.4489 -25.0738 -22.7591 TIMING: 1804400 CPU: 5238.41, 0.0029355/step Wall: 5238.41, 0.0029355/step, 2.60574 hours remaining, 205.835938 MB of memory in use. ENERGY: 1804400 741.6209 2116.7625 1981.2698 112.2877 -205224.9783 17039.0024 0.0000 0.0000 34112.4096 -149121.6255 297.9122 -183234.0351 -149026.5144 299.7117 -299.6886 -267.2310 557529.3325 8.4773 8.2826 PRESSURE: 1804600 99.4794 -28.2632 76.1015 -28.2623 -255.672 30.8968 76.101 30.8977 -152.716 GPRESSURE: 1804600 113.735 -9.27527 61.385 17.7027 -234.619 79.1949 92.6285 -26.8971 -86.1162 PRESSAVG: 1804600 6.3542 -43.0074 23.3911 -43.0073 1.59809 -10.4818 23.3912 -10.4818 38.877 GPRESSAVG: 1804600 7.92624 -41.8427 21.8969 -42.9161 1.37969 -9.5282 23.6048 -11.5852 37.6009 TIMING: 1804600 CPU: 5238.98, 0.00288465/step Wall: 5238.98, 0.00288465/step, 2.56045 hours remaining, 206.277344 MB of memory in use. ENERGY: 1804600 743.2910 2216.5509 1959.4931 119.2705 -205916.7999 17576.9524 0.0000 0.0000 34270.3380 -149030.9040 299.2914 -183301.2420 -148938.5759 300.2361 -102.9697 -69.0000 557526.7090 15.6098 15.6356 PRESSURE: 1804800 -241.852 30.2194 -100.346 30.2201 90.3676 -84.0843 -100.346 -84.0843 -174.352 GPRESSURE: 1804800 -235.711 53.1792 -81.19 -27.5208 95.4672 -80.2374 -90.71 -115.443 -84.8061 PRESSAVG: 1804800 14.7102 16.1004 78.7318 16.1005 -2.3198 -40.9437 78.7319 -40.9438 -9.14673 GPRESSAVG: 1804800 15.5672 16.3587 76.296 15.2345 -2.08923 -39.7118 81.0049 -42.91 -9.71864 TIMING: 1804800 CPU: 5239.56, 0.00287526/step Wall: 5239.56, 0.00287526/step, 2.55195 hours remaining, 206.277344 MB of memory in use. ENERGY: 1804800 768.0764 2127.4020 1957.9535 107.9573 -206276.0063 17661.8429 0.0000 0.0000 34492.3661 -149160.4083 301.2304 -183652.7744 -149067.1391 299.8311 -108.6122 -75.0167 557553.0021 1.0812 1.2531 PRESSURE: 1805000 -22.2292 106.918 85.2062 106.918 124.149 -77.8323 85.2054 -77.8334 72.388 GPRESSURE: 1805000 38.1045 92.5871 110.219 55.8482 144.462 -41.8828 126.781 -92.568 88.2796 PRESSAVG: 1805000 -16.8052 -8.22445 -19.4672 -8.22445 32.5839 -6.77395 -19.4673 -6.77397 -29.9621 GPRESSAVG: 1805000 -18.4117 -9.42836 -18.0359 -7.92353 33.4821 -6.49193 -19.5064 -5.94717 -29.3279 TIMING: 1805000 CPU: 5240.13, 0.00287939/step Wall: 5240.13, 0.00287939/step, 2.55546 hours remaining, 206.343750 MB of memory in use. ENERGY: 1805000 740.3494 2090.4129 1948.4491 108.8910 -206411.4619 17746.3950 0.0000 0.0000 34414.2737 -149362.6907 300.5484 -183776.9644 -149263.9050 299.3209 58.1027 90.2820 555867.3183 -4.7278 -4.7525 PRESSURE: 1805200 56.438 -88.3196 11.6407 -88.3195 4.22598 -135.373 11.6392 -135.373 146.892 GPRESSURE: 1805200 121.931 -144.153 56.787 -114.723 10.1295 -60.0571 -29.259 -110.744 178.033 PRESSAVG: 1805200 -15.2495 -14.7832 13.6399 -14.7832 35.7466 -18.6229 13.6399 -18.623 -32.0513 GPRESSAVG: 1805200 -14.166 -14.27 15.5138 -16.1674 35.5313 -19.649 13.6905 -17.5696 -33.2781 TIMING: 1805200 CPU: 5240.71, 0.00288922/step Wall: 5240.71, 0.00288922/step, 2.56402 hours remaining, 206.343750 MB of memory in use. ENERGY: 1805200 757.8965 2058.5265 1966.3163 114.4683 -206297.0529 17881.1469 0.0000 0.0000 34393.1561 -149125.5422 300.3640 -183518.6983 -149026.2085 299.5681 69.1853 103.3645 557555.0465 -3.8514 -3.9709 PRESSURE: 1805400 -52.3177 -13.3395 116.677 -13.3412 -73.1143 -12.0724 116.677 -12.0726 -225.403 GPRESSURE: 1805400 -18.0982 -30.1582 149.512 -26.5251 -72.7081 32.6958 88.3695 -66.5068 -178.565 PRESSAVG: 1805400 -23.3809 -51.8677 35.4938 -51.8678 46.9695 -58.1577 35.4939 -58.1577 -15.4933 GPRESSAVG: 1805400 -24.2595 -53.4651 35.0485 -50.2598 47.596 -58.6819 35.7076 -60.575 -14.9579 TIMING: 1805400 CPU: 5241.29, 0.00288791/step Wall: 5241.29, 0.00288791/step, 2.5627 hours remaining, 206.343750 MB of memory in use. ENERGY: 1805400 729.4813 2117.4467 1972.4528 108.4209 -206426.1377 17793.9242 0.0000 0.0000 34607.2360 -149097.1757 302.2336 -183704.4117 -149004.1178 300.1788 -116.9452 -89.7904 558806.5426 2.6985 2.7929 PRESSURE: 1805600 49.9483 35.3426 40.1517 35.3422 88.2643 164.019 40.1515 164.018 33.2559 GPRESSURE: 1805600 101.164 22.0141 78.002 14.506 123.519 156.957 53.2104 94.0423 42.1921 PRESSAVG: 1805600 13.2711 17.0818 -1.56317 17.0819 -38.5817 -71.4348 -1.56326 -71.4349 24.1865 GPRESSAVG: 1805600 12.1076 17.4121 -2.10481 16.7795 -38.7566 -70.9722 -1.73507 -69.1687 25.4717 TIMING: 1805600 CPU: 5241.87, 0.00290157/step Wall: 5241.87, 0.00290157/step, 2.57466 hours remaining, 206.343750 MB of memory in use. ENERGY: 1805600 712.7431 2116.3907 1950.1985 118.0089 -206125.4782 17857.7116 0.0000 0.0000 34290.6098 -149079.8156 299.4684 -183370.4254 -148982.5591 300.1623 57.1562 88.9582 558552.3581 -0.3747 -0.3924 PRESSURE: 1805800 -122.528 28.9073 -9.56246 28.9064 252.163 43.2417 -9.56165 43.2411 4.93269 GPRESSURE: 1805800 -94.8463 7.81319 19.3677 31.0275 269.438 123.078 -75.3582 27.3319 57.1263 PRESSAVG: 1805800 -27.337 17.1918 30.6961 17.1919 44.3507 -4.35128 30.696 -4.35142 -11.705 GPRESSAVG: 1805800 -26.9201 17.7975 30.2098 18.3473 44.9639 -3.46828 29.4527 -5.56641 -12.6272 TIMING: 1805800 CPU: 5242.45, 0.00290605/step Wall: 5242.45, 0.00290605/step, 2.57848 hours remaining, 206.343750 MB of memory in use. ENERGY: 1805800 721.8211 2086.6449 1954.8597 105.1395 -206078.8205 17750.1172 0.0000 0.0000 34349.0129 -149111.2252 299.9785 -183460.2381 -149015.4218 300.4974 44.8558 77.2392 557094.3560 1.7696 1.8056 PRESSURE: 1806000 -165.177 -32.0241 199.744 -32.0237 -12.0068 41.456 199.744 41.4562 162.897 GPRESSURE: 1806000 -165.399 12.3466 169.748 -65.4536 21.0067 -16.6759 140.427 45.4531 231.012 PRESSAVG: 1806000 -31.0721 0.316363 22.1657 0.316352 35.3995 0.268892 22.1657 0.268965 7.99106 GPRESSAVG: 1806000 -30.6507 0.787919 21.3179 -0.416311 35.4145 1.744 25.5614 -0.789666 7.89744 TIMING: 1806000 CPU: 5243.03, 0.00289737/step Wall: 5243.03, 0.00289737/step, 2.57061 hours remaining, 206.343750 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: 1806000 718.0802 2110.7624 1975.2167 110.3440 -205754.0628 17682.3466 0.0000 0.0000 34164.0046 -148993.3084 298.3627 -183157.3130 -148889.7169 299.9190 -4.7621 28.8731 557800.4751 4.1061 4.2204 PRESSURE: 1806200 -144.868 -27.1926 99.9832 -27.1927 -114.919 152.629 99.9825 152.629 -67.0936 GPRESSURE: 1806200 -169.544 -5.34678 164.606 3.59866 -91.9016 248.488 26.8168 98.2673 35.3571 PRESSAVG: 1806200 -65.0428 -3.78148 30.1642 -3.78144 111.985 10.7839 30.1642 10.784 0.134304 GPRESSAVG: 1806200 -64.7949 -6.52974 31.7329 -3.50117 110.804 7.73232 27.8346 11.4628 1.79719 TIMING: 1806200 CPU: 5243.61, 0.00289576/step Wall: 5243.61, 0.00289576/step, 2.56902 hours remaining, 206.343750 MB of memory in use. ENERGY: 1806200 750.0124 2105.9409 1947.2070 109.2872 -206108.6802 17810.4156 0.0000 0.0000 34142.0570 -149243.7602 298.1711 -183385.8171 -149150.0088 299.3801 -108.9604 -75.3627 558673.8009 15.6920 15.9355 PRESSURE: 1806400 -98.2521 -4.49616 137.944 -4.49573 -98.4353 48.9789 137.943 48.9782 -131.695 GPRESSURE: 1806400 -22.4654 -123.986 138.063 79.3847 -98.3697 63.7328 118.216 -3.57687 -114.862 PRESSAVG: 1806400 -29.7939 60.135 30.0421 60.1351 38.5882 36.5282 30.0422 36.5282 -8.16404 GPRESSAVG: 1806400 -28.2453 62.5493 29.5419 59.997 38.9219 36.2417 30.7091 36.9637 -9.67775 TIMING: 1806400 CPU: 5244.19, 0.00289613/step Wall: 5244.19, 0.00289613/step, 2.56919 hours remaining, 206.343750 MB of memory in use. ENERGY: 1806400 768.6338 2086.9207 1988.6987 107.3776 -206408.3831 17938.8441 0.0000 0.0000 34099.4776 -149418.4306 297.7992 -183517.9082 -149313.1445 298.1096 -109.4607 -78.5657 557912.3509 0.2101 0.3329 PRESSURE: 1806600 -218.564 -171.224 -121.136 -171.226 297.108 294.902 -121.136 294.904 -370.038 GPRESSURE: 1806600 -134.946 -167.699 -93.263 -132.309 252.535 270.391 -125.255 263.798 -321.494 PRESSAVG: 1806600 6.90802 34.5655 -9.01736 34.5655 29.7698 4.00963 -9.01729 4.00963 -21.9786 GPRESSAVG: 1806600 6.81112 35.5051 -9.95423 33.719 29.934 6.28622 -8.53563 2.43362 -21.7211 TIMING: 1806600 CPU: 5244.76, 0.00287216/step Wall: 5244.76, 0.00287216/step, 2.54776 hours remaining, 206.343750 MB of memory in use. ENERGY: 1806600 754.6713 2131.2152 1943.6827 100.6517 -206359.4022 17807.7502 0.0000 0.0000 34129.1263 -149492.3048 298.0581 -183621.4311 -149397.7107 297.8042 -97.1647 -67.9684 557286.4014 4.8997 5.0080 PRESSURE: 1806800 -3.99757 80.0705 -112.25 80.0697 -149.796 84.2276 -112.251 84.2292 -136.509 GPRESSURE: 1806800 16.9228 29.687 -180.465 28.7343 -93.9912 16.3691 -70.7113 82.2533 -117.941 PRESSAVG: 1806800 -31.9028 -2.76658 -42.387 -2.7666 33.5001 21.5142 -42.387 21.5141 -31.6214 GPRESSAVG: 1806800 -33.259 -3.79493 -41.9122 -2.6507 33.6502 20.699 -42.5949 21.883 -30.6065 TIMING: 1806800 CPU: 5245.34, 0.00289431/step Wall: 5245.34, 0.00289431/step, 2.56725 hours remaining, 206.343750 MB of memory in use. ENERGY: 1806800 773.1787 2012.3060 1967.2932 111.0725 -206349.1359 17880.3803 0.0000 0.0000 34159.7171 -149445.1882 298.3253 -183604.9052 -149340.7696 298.2504 -96.7674 -65.0030 557253.0396 -10.0080 -10.0717 PRESSURE: 1807000 -107.302 -88.5776 -59.3421 -88.5767 280.757 41.1305 -59.3416 41.129 233.417 GPRESSURE: 1807000 -81.8682 -175.597 -91.955 -37.0633 256.895 70.402 -78.2056 64.3278 330.785 PRESSAVG: 1807000 38.2725 54.1069 -70.784 54.1068 22.5766 16.9286 -70.784 16.9285 -71.4792 GPRESSAVG: 1807000 38.5916 54.3419 -69.6239 54.6848 22.1275 17.9276 -71.7287 17.7289 -71.1973 TIMING: 1807000 CPU: 5245.92, 0.00290346/step Wall: 5245.92, 0.00290346/step, 2.57521 hours remaining, 206.343750 MB of memory in use. ENERGY: 1807000 751.5196 2119.4976 1946.4191 116.9338 -206359.8505 18160.5084 0.0000 0.0000 33976.9541 -149288.0180 296.7292 -183264.9720 -149195.2926 298.8669 135.6240 168.6040 557355.3859 -3.5434 -3.4927 PRESSURE: 1807200 -78.4503 -130.331 7.77565 -130.33 -21.3921 13.1974 7.77592 13.1981 -346.563 GPRESSURE: 1807200 -38.4085 -123.061 44.0303 -180.146 15.9448 -93.9787 67.6814 130.502 -323.236 PRESSAVG: 1807200 -4.92244 5.44079 -35.9556 5.44084 1.4697 32.9797 -35.9556 32.9797 -13.0315 GPRESSAVG: 1807200 -4.78236 6.17255 -38.3513 3.90935 2.54126 30.878 -35.2543 34.9889 -14.1249 TIMING: 1807200 CPU: 5246.5, 0.00288839/step Wall: 5246.5, 0.00288839/step, 2.56168 hours remaining, 206.343750 MB of memory in use. ENERGY: 1807200 787.6338 2053.3905 1951.0292 111.1283 -205984.1913 17632.8833 0.0000 0.0000 34235.2907 -149212.8355 298.9853 -183448.1262 -149122.6870 298.8719 -148.8018 -115.2333 556430.2494 -5.4947 -5.4553 PRESSURE: 1807400 35.339 108.022 -83.6118 108.022 12.7216 33.879 -83.6118 33.8774 -186.057 GPRESSURE: 1807400 69.8605 166.385 -152.954 100.497 17.8052 28.809 -33.1879 7.16981 -129.048 PRESSAVG: 1807400 48.6717 -24.3404 -15.5038 -24.3404 23.6303 10.4574 -15.5037 10.4575 -75.6727 GPRESSAVG: 1807400 48.3216 -24.5216 -14.9788 -22.8973 23.7112 12.4084 -14.2172 7.73022 -75.3719 TIMING: 1807400 CPU: 5247.07, 0.00287085/step Wall: 5247.07, 0.00287085/step, 2.54596 hours remaining, 206.343750 MB of memory in use. ENERGY: 1807400 717.4887 2063.2456 1955.7153 122.1547 -206317.3257 17852.8505 0.0000 0.0000 34361.6040 -149244.2670 300.0884 -183605.8710 -149141.8216 298.9107 -45.9989 -13.7940 558574.1690 -1.1236 -1.1130 PRESSURE: 1807600 331.488 161.397 -79.5871 161.398 -62.8643 -1.56345 -79.5863 -1.56372 241.293 GPRESSURE: 1807600 313.45 63.1635 -52.1075 138.532 24.9041 -37.3033 -67.9144 38.5774 269.335 PRESSAVG: 1807600 -46.5543 -6.25934 11.4158 -6.25938 24.6799 0.18988 11.4157 0.189829 38.3427 GPRESSAVG: 1807600 -48.0146 -8.42478 12.5362 -5.35887 25.5017 -0.228975 11.4621 -0.0709089 38.9207 TIMING: 1807600 CPU: 5247.65, 0.00288028/step Wall: 5247.65, 0.00288028/step, 2.55416 hours remaining, 206.343750 MB of memory in use. ENERGY: 1807600 738.4070 2089.3998 1956.1188 111.9231 -206549.1356 18082.1211 0.0000 0.0000 34250.8653 -149320.3005 299.1213 -183571.1658 -149225.9368 299.0219 169.9723 202.5630 556744.3160 5.4895 5.4693 PRESSURE: 1807800 -280.673 -61.659 187.761 -61.6603 -310.328 4.10191 187.761 4.10075 -146.501 GPRESSURE: 1807800 -168.075 -123.941 240.124 -44.8051 -282.869 12.212 249.715 4.76922 -191.937 PRESSAVG: 1807800 2.36958 -30.4653 44.5604 -30.4653 17.2202 8.55676 44.5604 8.55666 -24.6303 GPRESSAVG: 1807800 4.59486 -29.3662 45.8556 -32.2048 15.8302 7.65688 43.1446 10.8251 -25.5288 TIMING: 1807800 CPU: 5248.23, 0.00288536/step Wall: 5248.23, 0.00288536/step, 2.55851 hours remaining, 206.343750 MB of memory in use. ENERGY: 1807800 727.2196 2081.5519 1955.8961 113.2636 -205742.8168 17421.1847 0.0000 0.0000 34207.6264 -149236.0744 298.7437 -183443.7008 -149135.8821 298.5479 -245.8340 -214.2936 558798.3554 -1.6802 -1.7012 PRESSURE: 1808000 133.997 -18.7096 -23.6388 -18.7091 -38.6167 -83.4492 -23.6391 -83.4496 -116.48 GPRESSURE: 1808000 148.255 -23.9334 -106.932 -91.7017 -43.1991 -129.53 28.7449 -36.2182 -34.046 PRESSAVG: 1808000 -23.4161 0.612733 4.32882 0.61277 -3.96255 40.2314 4.3288 40.2312 4.09489 GPRESSAVG: 1808000 -24.392 1.55733 2.10212 3.21355 -3.50749 41.1122 3.51274 38.4427 5.01738 TIMING: 1808000 CPU: 5248.8, 0.0028852/step Wall: 5248.8, 0.0028852/step, 2.55821 hours remaining, 206.343750 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: 1808000 754.0617 2072.4442 1985.3029 112.5733 -206225.3062 17867.7152 0.0000 0.0000 34118.9814 -149314.2275 297.9696 -183433.2089 -149220.2786 298.7169 -7.0334 23.6698 557668.2488 -7.7613 -7.6274 PRESSURE: 1808200 -231.598 49.817 -85.6478 49.8152 138.102 109.931 -85.6483 109.932 -45.2825 GPRESSURE: 1808200 -130.581 89.1884 -135.11 -12.8819 125.915 16.7752 -61.1268 180.363 -36.404 PRESSAVG: 1808200 8.58131 -15.171 -30.1372 -15.171 32.8091 33.5126 -30.1373 33.5126 -19.0057 GPRESSAVG: 1808200 9.62861 -14.9807 -26.6468 -17.8983 32.8131 36.4398 -31.3519 32.5447 -19.8071 TIMING: 1808200 CPU: 5249.38, 0.00286295/step Wall: 5249.38, 0.00286295/step, 2.53832 hours remaining, 206.343750 MB of memory in use. ENERGY: 1808200 738.2858 2044.7836 1965.9074 124.1798 -206331.5989 17810.0437 0.0000 0.0000 34486.7022 -149161.6963 301.1809 -183648.3985 -149061.9538 299.0311 -46.2595 -13.6899 558877.5222 7.4616 7.5449 LDB: ============= START OF LOAD BALANCING ============== 5252.84 LDB: ============== END OF LOAD BALANCING =============== 5252.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5252.84 LDB: ============= START OF LOAD BALANCING ============== 5253.13 LDB: Largest compute 4821 load 0.029338 is 24.9% of average load 0.117690 LDB: Average compute 0.001710 is 1.5% of average load 0.117690 LDB: TIME 5253.13 LOAD: AVG 0.11769 MAX 0.179406 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 5253.13 LOAD: AVG 0.11769 MAX 0.179406 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: TIME 5253.13 LOAD: AVG 0.11769 MAX 0.179406 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5253.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5253.14 PRESSURE: 1808400 -49.7039 -198.414 -41.2781 -198.413 -106.793 -12.4023 -41.279 -12.402 21.8219 GPRESSURE: 1808400 -17.8899 -194.675 -33.5966 -198.003 -106.59 3.4076 16.2546 -2.87245 89.0588 PRESSAVG: 1808400 -82.0705 7.88953 14.2732 7.8895 105.841 -30.8701 14.2732 -30.8701 -74.8823 GPRESSAVG: 1808400 -82.4596 9.15615 11.3858 7.5254 106.4 -31.9939 16.4359 -30.5031 -75.0795 TIMING: 1808400 CPU: 5249.96, 0.00293314/step Wall: 5249.96, 0.00293314/step, 2.60039 hours remaining, 206.195312 MB of memory in use. ENERGY: 1808400 773.1126 2066.9284 1959.0422 115.7955 -206249.6711 17961.7057 0.0000 0.0000 34231.5141 -149141.5726 298.9523 -183373.0867 -149051.6777 299.3838 -44.8916 -11.8069 557650.2634 -17.0373 -17.0464 PRESSURE: 1808600 -93.1773 -27.3851 24.8628 -27.3855 -108.854 69.2515 24.862 69.253 -58.4826 GPRESSURE: 1808600 -88.5741 -20.73 29.7549 -15.5361 -53.559 101.727 0.592765 110.134 -15.8789 PRESSAVG: 1808600 21.4596 -19.7749 54.0167 -19.7749 49.5755 54.0906 54.0166 54.0907 -63.7055 GPRESSAVG: 1808600 19.6411 -22.7809 57.2392 -18.3216 49.9802 53.4116 52.1442 55.1745 -62.3309 TIMING: 1808600 CPU: 5250.54, 0.00288177/step Wall: 5250.54, 0.00288177/step, 2.55469 hours remaining, 206.195312 MB of memory in use. ENERGY: 1808600 744.2969 2163.7304 1945.2887 106.7567 -206322.9957 17852.8699 0.0000 0.0000 34291.7526 -149218.3005 299.4784 -183510.0531 -149124.8299 299.2279 -86.8380 -52.6707 556661.6607 2.4432 2.4301 PRESSURE: 1808800 -31.5576 45.0994 96.8452 45.0989 5.209 46.3006 96.8461 46.3031 -282.691 GPRESSURE: 1808800 31.1508 -15.5817 151.539 22.4061 34.7403 42.1779 104.215 29.4786 -272.384 PRESSAVG: 1808800 16.9732 -2.35197 69.5253 -2.35199 26.3687 -22.6931 69.5253 -22.6931 -14.8871 GPRESSAVG: 1808800 17.8322 1.08858 68.1342 -4.68091 25.4055 -23.7314 69.0271 -20.3893 -15.0873 TIMING: 1808800 CPU: 5251.12, 0.00288909/step Wall: 5251.12, 0.00288909/step, 2.56102 hours remaining, 206.195312 MB of memory in use. ENERGY: 1808800 749.9235 2072.9477 1951.2070 113.7203 -206386.4476 17818.8459 0.0000 0.0000 34252.2405 -149427.5627 299.1333 -183679.8032 -149325.9014 299.9382 -103.0133 -68.8309 557068.9133 9.4850 9.3835 PRESSURE: 1809000 -214.439 -100.516 38.9388 -100.516 44.892 -70.9454 38.9398 -70.9448 -202.379 GPRESSURE: 1809000 -222.697 -66.3288 4.62087 -146.905 78.5303 -98.1497 99.869 -19.8013 -129.959 PRESSAVG: 1809000 42.9369 -33.173 1.87483 -33.173 0.0204004 -7.22626 1.87492 -7.22639 -48.5492 GPRESSAVG: 1809000 43.1271 -34.9186 0.593483 -31.8655 0.373187 -7.37814 3.24577 -7.82403 -48.8159 TIMING: 1809000 CPU: 5251.69, 0.00287077/step Wall: 5251.69, 0.00287077/step, 2.54462 hours remaining, 206.195312 MB of memory in use. ENERGY: 1809000 765.7197 2126.3164 1958.7883 127.0108 -206238.1265 17672.5112 0.0000 0.0000 34049.3847 -149538.3954 297.3617 -183587.7801 -149441.7104 299.0388 -123.9754 -91.3750 555353.2439 -1.8640 -1.7719 PRESSURE: 1809200 71.3892 -114.39 73.5627 -114.389 -42.6414 -189.281 73.5639 -189.281 231.134 GPRESSURE: 1809200 111.752 -120.142 53.9292 -110.01 -43.2979 -164.086 18.2613 -202.338 275.384 PRESSAVG: 1809200 -20.7409 -62.8734 2.91376 -62.8734 12.1736 6.7058 2.91371 6.70576 37.3763 GPRESSAVG: 1809200 -21.3889 -61.5594 3.32261 -62.4843 12.1578 7.04173 2.37487 5.75226 37.5925 TIMING: 1809200 CPU: 5252.27, 0.00288278/step Wall: 5252.27, 0.00288278/step, 2.5551 hours remaining, 206.304688 MB of memory in use. ENERGY: 1809200 728.7493 2087.6338 1938.1339 103.8502 -206745.2060 17864.4682 0.0000 0.0000 34179.2766 -149843.0941 298.4961 -184022.3706 -149746.3337 297.7010 86.6273 114.6130 555245.9859 9.6030 9.4538 PRESSURE: 1809400 69.4887 -91.2409 -134.223 -91.24 -190.594 -98.228 -134.223 -98.2287 -96.3463 GPRESSURE: 1809400 72.815 -53.0103 -199.261 -66.6829 -185.435 -149.515 -64.9292 -84.494 -8.93392 PRESSAVG: 1809400 29.9117 17.6342 -24.4455 17.6341 -51.0991 -3.60772 -24.4454 -3.60763 16.4982 GPRESSAVG: 1809400 30.7821 16.1481 -23.3182 17.0616 -49.964 -2.67777 -24.4375 -4.75422 14.6181 TIMING: 1809400 CPU: 5252.84, 0.00288244/step Wall: 5252.84, 0.00288244/step, 2.55465 hours remaining, 206.304688 MB of memory in use. ENERGY: 1809400 733.2742 2085.1516 1953.9057 116.4372 -206596.9288 17878.2066 0.0000 0.0000 34153.1362 -149676.8174 298.2678 -183829.9536 -149578.0756 298.0090 -72.4839 -40.5179 557978.3963 -1.5631 -1.5212 PRESSURE: 1809600 54.2286 -87.1265 -105.412 -87.1265 -79.0941 129.18 -105.413 129.181 37.3988 GPRESSURE: 1809600 75.8118 -151.583 -98.9418 -44.1015 -0.900423 96.7768 -137.05 161.395 33.794 PRESSAVG: 1809600 43.254 -24.9577 -6.02543 -24.9577 -39.7984 -51.7503 -6.02556 -51.7505 36.8001 GPRESSAVG: 1809600 42.3461 -24.2465 -6.6842 -24.7302 -40.2327 -51.8041 -5.15112 -51.7629 37.704 TIMING: 1809600 CPU: 5253.42, 0.00288498/step Wall: 5253.42, 0.00288498/step, 2.55673 hours remaining, 206.441406 MB of memory in use. ENERGY: 1809600 734.0277 2080.8838 1941.0949 108.1313 -206414.7915 17729.4103 0.0000 0.0000 34237.0928 -149584.1507 299.0010 -183821.2435 -149493.4379 297.4287 4.1777 36.2351 556387.2285 13.4186 13.2725 PRESSURE: 1809800 88.8296 62.7067 40.6953 62.7059 32.7945 -45.985 40.6955 -45.9858 146.152 GPRESSURE: 1809800 110.105 126.829 17.6331 138.789 70.3435 -29.1706 106.447 -91.4515 185.776 PRESSAVG: 1809800 -31.7364 -23.1519 3.93082 -23.1519 -32.5355 -24.2787 3.93074 -24.2786 28.5253 GPRESSAVG: 1809800 -31.272 -22.2843 4.80896 -24.6156 -32.2517 -24.3367 3.09364 -26.6853 27.888 TIMING: 1809800 CPU: 5254, 0.00288997/step Wall: 5254, 0.00288997/step, 2.561 hours remaining, 206.441406 MB of memory in use. ENERGY: 1809800 711.0671 2118.2033 1916.9736 113.7620 -206294.9258 17841.1836 0.0000 0.0000 34187.1326 -149406.6035 298.5647 -183593.7361 -149310.1303 298.0742 89.2588 122.0748 557969.8520 -11.9155 -11.8786 PRESSURE: 1810000 -376.909 -208.361 180.851 -208.361 -275.99 34.7602 180.851 34.7599 -76.9923 GPRESSURE: 1810000 -374.775 -241.824 210.977 -168.488 -186.126 64.7162 145.847 -20.8828 -59.8766 PRESSAVG: 1810000 21.79 -49.5537 20.7514 -49.5537 28.7861 1.13652 20.7515 1.13658 -45.3791 GPRESSAVG: 1810000 22.87 -52.1072 20.6376 -49.5798 27.9431 1.02322 21.3537 3.03148 -45.5883 TIMING: 1810000 CPU: 5254.58, 0.00288038/step Wall: 5254.58, 0.00288038/step, 2.55234 hours remaining, 206.441406 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: 1810000 779.8098 2066.9484 1956.1429 109.0616 -206102.1797 17581.3533 0.0000 0.0000 34350.3985 -149258.4653 299.9906 -183608.8638 -149161.0711 298.5819 -243.2972 -206.9259 558720.9967 1.7323 1.7416 PRESSURE: 1810200 83.4481 -28.6081 215.976 -28.6081 -85.5998 -189.396 215.976 -189.395 -94.6914 GPRESSURE: 1810200 123.262 -26.9843 252.624 -19.0368 -46.5903 -114.99 169.484 -210.425 -76.4331 PRESSAVG: 1810200 20.1901 -48.1059 43.4617 -48.1058 24.1295 49.7065 43.4616 49.7066 -37.4675 GPRESSAVG: 1810200 19.9536 -46.8514 43.1137 -47.752 24.8342 50.5887 44.1855 51.0465 -37.835 TIMING: 1810200 CPU: 5255.16, 0.00289809/step Wall: 5255.16, 0.00289809/step, 2.56787 hours remaining, 206.441406 MB of memory in use. ENERGY: 1810200 758.9165 2078.2395 1937.9284 111.6331 -206067.5950 17814.5263 0.0000 0.0000 34300.4672 -149065.8841 299.5545 -183366.3512 -148973.8293 298.9756 -32.2810 0.0795 558401.4995 2.2840 2.3176 PRESSURE: 1810400 -176.126 -76.9588 124.244 -76.9589 71.2844 60.3435 124.243 60.3452 -167.81 GPRESSURE: 1810400 -135.659 -116.643 55.1159 -30.5351 76.6997 89.1299 53.1196 -5.06174 -123.904 PRESSAVG: 1810400 57.7566 -40.235 24.8118 -40.235 21.378 23.6342 24.8118 23.6343 -90.229 GPRESSAVG: 1810400 56.7402 -42.1277 24.4835 -38.3791 20.4172 23.9231 23.799 23.5323 -88.663 TIMING: 1810400 CPU: 5255.73, 0.00288522/step Wall: 5255.73, 0.00288522/step, 2.5563 hours remaining, 206.500000 MB of memory in use. ENERGY: 1810400 725.8903 2097.2688 1959.7473 111.4514 -206234.9543 17891.0794 0.0000 0.0000 34416.7143 -149032.8028 300.5697 -183449.5171 -148939.6945 299.7751 -90.8842 -60.9543 559119.9818 -3.6981 -3.8352 PRESSURE: 1810600 -113.993 -161.022 -21.184 -161.022 63.2203 86.319 -21.1832 86.3202 -8.21986 GPRESSURE: 1810600 -89.9424 -88.6256 -56.4729 -172.291 123.139 101.484 -48.2141 62.7395 -2.73674 PRESSAVG: 1810600 -19.3406 -14.6425 5.42472 -14.6426 9.93845 59.2777 5.42481 59.2777 -40.7863 GPRESSAVG: 1810600 -19.793 -12.3558 5.09725 -17.1818 10.9155 58.3784 5.78508 58.7179 -41.0411 TIMING: 1810600 CPU: 5256.31, 0.00286611/step Wall: 5256.31, 0.00286611/step, 2.53922 hours remaining, 206.500000 MB of memory in use. ENERGY: 1810600 802.1917 2051.4223 1972.6910 126.0630 -206141.7634 17747.8131 0.0000 0.0000 34570.4738 -148871.1084 301.9125 -183441.5822 -148778.8858 300.1772 -19.6642 10.1534 558219.5020 -16.7295 -16.6395 PRESSURE: 1810800 267.782 -32.1635 5.47174 -32.1638 -87.0251 50.6355 5.47062 50.6364 242.527 GPRESSURE: 1810800 266.104 -42.0649 51.1482 -94.4744 -0.480293 28.1405 -51.2536 25.9119 260.557 PRESSAVG: 1810800 -20.1769 22.8676 5.07198 22.8675 5.85906 76.4946 5.07198 76.4946 -1.51806 GPRESSAVG: 1810800 -20.2812 21.7116 5.72617 23.775 5.07951 79.0065 5.18987 74.9418 -0.107095 TIMING: 1810800 CPU: 5256.88, 0.00288368/step Wall: 5256.88, 0.00288368/step, 2.55462 hours remaining, 206.500000 MB of memory in use. ENERGY: 1810800 750.0830 2116.1754 1953.5553 109.5930 -206351.3563 18055.4618 0.0000 0.0000 34272.1627 -149094.3250 299.3073 -183366.4878 -148999.2526 300.1800 141.0946 175.3936 557264.5715 -5.2786 -5.1029 PRESSURE: 1811000 -182.169 31.7835 -0.591538 31.782 -143.867 181.164 -0.591552 181.165 -13.6805 GPRESSURE: 1811000 -140.942 -37.0304 -43.1656 45.9473 -127.109 151.258 -24.4077 116.234 18.8169 PRESSAVG: 1811000 -44.3783 11.9018 19.6399 11.9019 -36.4783 34.5896 19.6399 34.5895 51.0566 GPRESSAVG: 1811000 -43.3755 10.5573 19.8514 12.2788 -36.4878 31.836 19.9075 36.6255 49.67 TIMING: 1811000 CPU: 5257.46, 0.00288915/step Wall: 5257.46, 0.00288915/step, 2.55931 hours remaining, 206.500000 MB of memory in use. ENERGY: 1811000 773.6506 2082.2448 1952.7524 108.8659 -205995.0745 17818.2995 0.0000 0.0000 34208.1722 -149051.0891 298.7485 -183259.2613 -148957.3343 299.0381 -113.2386 -83.0781 560013.5807 -9.9333 -10.0644 PRESSURE: 1811200 -140.587 3.57764 109.473 3.57745 38.0858 90.2456 109.473 90.2444 86.7721 GPRESSURE: 1811200 -117.847 -37.9225 27.865 -31.6438 36.6387 49.8477 134.726 91.7212 162.223 PRESSAVG: 1811200 35.7983 -6.89455 34.9581 -6.89458 -24.7786 -2.23717 34.9581 -2.23712 73.2787 GPRESSAVG: 1811200 35.1851 -8.23671 31.9494 -4.80614 -23.9222 -0.538986 35.6212 -3.10135 73.0541 TIMING: 1811200 CPU: 5258.04, 0.00289344/step Wall: 5258.04, 0.00289344/step, 2.56294 hours remaining, 206.500000 MB of memory in use. ENERGY: 1811200 739.4829 2088.6208 1953.3616 125.6585 -206059.7540 17798.5819 0.0000 0.0000 34306.3219 -149047.7262 299.6056 -183354.0482 -148944.6504 300.0879 -5.2431 27.0049 558086.7562 28.0995 28.1057 PRESSURE: 1811400 113.074 54.3933 88.2965 54.3928 -203.581 -50.9617 88.2979 -50.9634 -64.9889 GPRESSURE: 1811400 155.288 32.5841 146.045 130.198 -197.468 -97.4969 53.6773 -51.8665 -21.6082 PRESSAVG: 1811400 17.7994 50.7755 34.5637 50.7754 -26.5774 -10.2616 34.5638 -10.2616 32.4592 GPRESSAVG: 1811400 17.8796 52.43 35.8951 49.851 -27.1445 -11.9608 35.4961 -7.15052 32.198 TIMING: 1811400 CPU: 5258.61, 0.00287234/step Wall: 5258.61, 0.00287234/step, 2.5441 hours remaining, 206.500000 MB of memory in use. ENERGY: 1811400 715.9517 2079.1084 1926.6676 115.5373 -205886.2304 17620.5401 0.0000 0.0000 34292.7137 -149135.7116 299.4868 -183428.4253 -149035.4695 299.6800 -51.8319 -21.2628 556726.8496 7.8937 7.6443 PRESSURE: 1811600 -110.076 -129.649 67.374 -129.648 -140.485 -95.0411 67.3738 -95.042 -181.546 GPRESSURE: 1811600 -125.358 -15.6689 44.248 -204.646 -56.0295 -129.759 22.1149 -36.6278 -141.73 PRESSAVG: 1811600 88.2154 10.3852 49.5926 10.3852 -99.32 -48.3371 49.5925 -48.3371 -8.29323 GPRESSAVG: 1811600 88.3411 12.9239 50.1001 7.82657 -99.6382 -47.8373 48.2882 -49.685 -7.97428 TIMING: 1811600 CPU: 5259.19, 0.00289541/step Wall: 5259.19, 0.00289541/step, 2.56436 hours remaining, 206.500000 MB of memory in use. ENERGY: 1811600 716.7556 2076.1863 1963.8261 105.5203 -205462.5874 17468.8890 0.0000 0.0000 34268.4160 -148862.9942 299.2746 -183131.4102 -148769.7807 299.7720 -144.0358 -107.7061 558357.5737 -6.4660 -6.4238 PRESSURE: 1811800 -304.971 -157.552 -16.5185 -157.553 -187.52 -159.361 -16.5184 -159.361 -262.374 GPRESSURE: 1811800 -260.54 -96.4586 -138.538 -101.502 -148.574 -151.526 38.1146 -221.734 -241.918 PRESSAVG: 1811800 41.0205 13.8167 13.3582 13.8166 -42.9603 11.6883 13.3581 11.6883 28.5256 GPRESSAVG: 1811800 40.1249 11.3463 16.174 16.0888 -42.0939 12.7321 12.0636 11.7529 28.82 TIMING: 1811800 CPU: 5259.78, 0.00291329/step Wall: 5259.78, 0.00291329/step, 2.58004 hours remaining, 206.500000 MB of memory in use. ENERGY: 1811800 777.4270 2037.8244 1951.5279 114.5466 -205413.3823 17432.4292 0.0000 0.0000 34234.3367 -148865.2905 298.9770 -183099.6272 -148773.0675 300.6217 -251.6216 -217.0105 558724.0249 8.8620 8.9503 PRESSURE: 1812000 -252.847 88.0425 41.9028 88.0417 -268.053 -16.2062 41.9028 -16.206 201.777 GPRESSURE: 1812000 -245.64 57.3988 125.379 76.1657 -244.286 10.2662 84.9309 -61.4345 293.57 PRESSAVG: 1812000 -68.9663 24.547 57.5566 24.5471 2.52502 -46.8486 57.5566 -46.8486 35.5271 GPRESSAVG: 1812000 -68.3693 24.7779 54.0093 22.1292 2.02235 -45.028 59.2294 -46.8204 35.4612 TIMING: 1812000 CPU: 5260.36, 0.00290944/step Wall: 5260.36, 0.00290944/step, 2.57647 hours remaining, 206.500000 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: 1812000 717.3127 2135.7302 1935.4618 115.8052 -206135.3371 17727.7622 0.0000 0.0000 34563.1254 -148940.1396 301.8484 -183503.2650 -148843.5463 299.9620 -106.3747 -65.4522 558044.6566 -10.3047 -10.2953 PRESSURE: 1812200 226.395 -64.3547 -78.6931 -64.3553 142.806 -24.662 -78.6949 -24.6629 103.982 GPRESSURE: 1812200 224.355 -74.6812 -91.5685 -78.6585 175.909 54.6545 -67.7323 -108.662 168.241 PRESSAVG: 1812200 -7.45944 27.0119 -7.21591 27.0117 -55.8724 -22.4402 -7.21601 -22.4403 100.595 GPRESSAVG: 1812200 -8.65196 27.3677 -5.80092 28.3874 -54.2543 -24.0642 -8.03232 -22.3134 100.349 TIMING: 1812200 CPU: 5260.93, 0.00287961/step Wall: 5260.93, 0.00287961/step, 2.54989 hours remaining, 206.500000 MB of memory in use. ENERGY: 1812200 731.9519 2072.2856 1938.5613 110.7284 -205779.2457 17804.2867 0.0000 0.0000 34197.0643 -148924.3674 298.6515 -183121.4317 -148826.1304 299.8898 157.7275 189.5017 556859.6725 12.4209 12.4809 LDB: ============= START OF LOAD BALANCING ============== 5264.4 LDB: ============== END OF LOAD BALANCING =============== 5264.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5264.4 LDB: ============= START OF LOAD BALANCING ============== 5264.69 LDB: Largest compute 4821 load 0.028875 is 24.5% of average load 0.117713 LDB: Average compute 0.001719 is 1.5% of average load 0.117713 LDB: TIME 5264.69 LOAD: AVG 0.117713 MAX 0.17856 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 5264.69 LOAD: AVG 0.117713 MAX 0.17856 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.328 MB LDB: TIME 5264.69 LOAD: AVG 0.117713 MAX 0.17856 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.328 MB LDB: ============== END OF LOAD BALANCING =============== 5264.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5264.7 PRESSURE: 1812400 -228.043 9.19239 33.7508 9.19294 76.2294 33.0067 33.7517 33.0066 -92.6979 GPRESSURE: 1812400 -162.712 11.623 29.7103 79.6748 109.409 -66.8719 -12.8347 54.9183 -79.5781 PRESSAVG: 1812400 -32.0264 41.3285 -56.1989 41.3285 -12.4221 -70.729 -56.1988 -70.7289 36.0237 GPRESSAVG: 1812400 -31.9239 41.3186 -58.8186 40.5563 -13.6587 -71.2372 -55.4346 -70.2655 37.0741 TIMING: 1812400 CPU: 5261.52, 0.00293969/step Wall: 5261.52, 0.00293969/step, 2.60294 hours remaining, 207.027344 MB of memory in use. ENERGY: 1812400 721.6404 2102.6420 1950.2776 103.3296 -205830.8309 17536.3994 0.0000 0.0000 34362.6153 -149053.9265 300.0973 -183416.5418 -148956.0442 299.6839 -81.5039 -44.2938 557992.9648 -2.8083 -2.8362 PRESSURE: 1812600 -295.466 65.6113 -28.1902 65.6115 -259.666 -39.006 -28.1903 -39.0049 -93.9974 GPRESSURE: 1812600 -224.384 127.671 7.86434 -44.6238 -220.371 -41.9491 47.6865 -57.5117 -100.576 PRESSAVG: 1812600 -84.6151 -22.3894 -34.622 -22.3894 35.919 -23.2412 -34.622 -23.2414 63.5165 GPRESSAVG: 1812600 -84.3243 -22.1589 -31.0869 -22.1683 35.9684 -22.7749 -35.0247 -24.4217 63.4341 TIMING: 1812600 CPU: 5262.1, 0.00289844/step Wall: 5262.1, 0.00289844/step, 2.56625 hours remaining, 207.230469 MB of memory in use. ENERGY: 1812600 764.1434 2067.5596 1962.1233 117.1090 -205642.6046 17482.9587 0.0000 0.0000 34187.0539 -149061.6566 298.5640 -183248.7105 -148963.9936 299.0768 -216.3765 -181.7770 559474.0850 4.9401 5.0261 PRESSURE: 1812800 10.2818 -59.7988 -39.9329 -59.7985 78.6867 -8.07522 -39.9324 -8.07501 -34.091 GPRESSURE: 1812800 55.0097 -76.3705 -5.82614 -115.341 154.253 -42.4277 -95.336 3.89697 -61.203 PRESSAVG: 1812800 -83.5069 5.34523 -29.5705 5.3453 59.521 -42.634 -29.5704 -42.6339 8.36809 GPRESSAVG: 1812800 -82.5236 5.32093 -31.0476 5.0697 59.788 -42.5958 -30.6603 -40.0964 7.84271 TIMING: 1812800 CPU: 5262.68, 0.00290507/step Wall: 5262.68, 0.00290507/step, 2.57195 hours remaining, 207.375000 MB of memory in use. ENERGY: 1812800 710.3241 2110.0568 1940.0893 119.6594 -206135.1035 17812.1185 0.0000 0.0000 34314.7124 -149128.1429 299.6789 -183442.8553 -149036.0917 299.5990 18.2925 49.3533 557845.9630 -5.2059 -4.9643 PRESSURE: 1813000 -190.347 55.5545 66.3577 55.5542 -77.4147 256.413 66.3577 256.412 -60.6101 GPRESSURE: 1813000 -189.172 56.8593 -28.559 61.9333 -2.45695 175.658 143.265 280.432 -51.7616 PRESSAVG: 1813000 3.51533 7.1594 5.26004 7.15939 -8.68184 3.49911 5.26007 3.49914 12.9824 GPRESSAVG: 1813000 4.29565 5.47789 6.02307 7.8947 -8.71348 4.60983 4.65515 0.40331 11.5552 TIMING: 1813000 CPU: 5263.26, 0.00288366/step Wall: 5263.26, 0.00288366/step, 2.55284 hours remaining, 207.375000 MB of memory in use. ENERGY: 1813000 768.6133 2108.6009 1974.6268 110.7196 -205966.4787 17514.5088 0.0000 0.0000 34352.9718 -149136.4375 300.0130 -183489.4093 -149036.8340 299.5947 -109.4573 -81.1301 557035.2515 2.6053 2.3791 PRESSURE: 1813200 -139.806 102.425 -98.8576 102.425 -78.4073 33.5275 -98.8589 33.5285 -116.247 GPRESSURE: 1813200 -72.8994 28.9603 -168.014 89.4439 -50.4563 89.3253 -3.91009 -9.24437 -116.747 PRESSAVG: 1813200 -87.0973 17.0229 -6.37762 17.023 26.8149 -0.115023 -6.3776 -0.115049 36.2096 GPRESSAVG: 1813200 -88.3545 19.0634 -6.15973 17.067 26.045 -1.7453 -5.45601 2.00503 38.7609 TIMING: 1813200 CPU: 5263.84, 0.00289357/step Wall: 5263.84, 0.00289357/step, 2.56145 hours remaining, 207.375000 MB of memory in use. ENERGY: 1813200 767.6389 2063.9543 1941.2451 107.4087 -205828.9608 17520.8206 0.0000 0.0000 34379.6334 -149048.2600 300.2459 -183427.8933 -148952.0293 299.5664 -111.4867 -80.0341 557211.6420 -8.0243 -7.8495 PRESSURE: 1813400 165.229 -37.7811 -125.191 -37.7807 151.155 213.156 -125.191 213.157 92.7944 GPRESSURE: 1813400 237.036 -94.2115 -110.586 -98.234 142.082 239.263 -115.782 146.499 130.482 PRESSAVG: 1813400 2.19684 -13.8249 -15.3584 -13.825 4.89768 93.846 -15.3585 93.846 31.0841 GPRESSAVG: 1813400 1.76016 -14.1613 -15.2186 -15.3289 6.88111 96.7516 -14.9376 92.1247 29.8511 TIMING: 1813400 CPU: 5264.41, 0.00288162/step Wall: 5264.41, 0.00288162/step, 2.55071 hours remaining, 207.375000 MB of memory in use. ENERGY: 1813400 710.8164 2060.7542 1938.9961 113.3988 -206193.8078 17772.6946 0.0000 0.0000 34586.3137 -149010.8339 302.0509 -183597.1477 -148920.3778 300.0123 136.3926 169.8665 556705.7983 12.7262 12.8308 PRESSURE: 1813600 188.323 -8.7287 153.333 -8.72871 -68.8203 54.0806 153.334 54.081 75.6838 GPRESSURE: 1813600 187.726 7.52952 146.223 -39.2798 -36.6622 125.221 247.462 -37.8976 146.945 PRESSAVG: 1813600 34.5302 -31.6148 12.2097 -31.6147 0.400393 25.9603 12.2097 25.9603 -14.8636 GPRESSAVG: 1813600 34.8659 -32.8652 10.9398 -31.3776 -0.424588 25.8005 10.993 26.1264 -14.4479 TIMING: 1813600 CPU: 5264.99, 0.00288155/step Wall: 5264.99, 0.00288155/step, 2.55049 hours remaining, 207.375000 MB of memory in use. ENERGY: 1813600 741.8685 2044.2366 1956.2435 114.0988 -206314.2226 17842.8243 0.0000 0.0000 34448.4030 -149166.5479 300.8465 -183614.9509 -149068.7721 299.6187 65.0623 99.3362 556385.7342 6.6890 6.6645 PRESSURE: 1813800 -292.568 179.407 -40.9243 179.407 2.19513 -204.591 -40.9246 -204.588 108.533 GPRESSURE: 1813800 -221.558 54.1196 4.93971 221.505 45.1941 -239.591 -10.1484 -179.955 86.133 PRESSAVG: 1813800 31.1529 -32.6058 8.2382 -32.6058 43.2751 -28.4206 8.23815 -28.4206 -61.149 GPRESSAVG: 1813800 32.0064 -33.0162 8.79315 -31.0306 42.5247 -29.7469 10.0482 -28.2841 -61.5291 TIMING: 1813800 CPU: 5265.57, 0.00290136/step Wall: 5265.57, 0.00290136/step, 2.56786 hours remaining, 207.375000 MB of memory in use. ENERGY: 1813800 752.1004 2062.6030 1972.4856 115.0356 -206077.2968 17760.8597 0.0000 0.0000 34230.6503 -149183.5623 298.9448 -183414.2127 -149091.5684 300.6889 -60.6132 -30.0768 555504.1743 4.4263 4.3340 PRESSURE: 1814000 249.043 -228.365 -25.6764 -228.365 57.3514 -40.9967 -25.6752 -40.9965 140.394 GPRESSURE: 1814000 268.005 -174.518 16.9225 -224.845 100.71 -40.434 -57.9398 -102.798 184.035 PRESSAVG: 1814000 50.4119 -9.21555 10.4386 -9.21552 -67.493 -29.5006 10.4386 -29.5005 2.18874 GPRESSAVG: 1814000 50.7459 -8.57092 11.1187 -10.517 -67.9276 -28.6378 9.70089 -30.9503 2.13085 TIMING: 1814000 CPU: 5266.15, 0.00289218/step Wall: 5266.15, 0.00289218/step, 2.55958 hours remaining, 207.375000 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: 1814000 744.6755 2099.1053 1955.9695 111.1610 -206652.5028 18091.5499 0.0000 0.0000 34386.0931 -149263.9485 300.3023 -183650.0416 -149173.5694 299.5333 148.9297 184.2500 556115.4468 -4.9641 -5.0170 PRESSURE: 1814200 -102.334 -11.8558 260.273 -11.8572 297.422 -106.436 260.273 -106.436 -165.622 GPRESSURE: 1814200 -71.7132 -7.35377 340.748 -17.8049 368.582 -67.1074 227.739 -159.768 -193.321 PRESSAVG: 1814200 26.093 -22.9554 27.7569 -22.9555 72.6612 -23.9315 27.7568 -23.9314 -100.42 GPRESSAVG: 1814200 25.8737 -22.3385 28.163 -23.682 72.0641 -23.8938 26.4091 -22.6611 -99.7587 TIMING: 1814200 CPU: 5266.73, 0.0028983/step Wall: 5266.73, 0.0028983/step, 2.56483 hours remaining, 207.375000 MB of memory in use. ENERGY: 1814200 717.5296 2165.2293 1957.9870 130.8608 -206196.2029 17846.4724 0.0000 0.0000 34071.8183 -149306.3056 297.5577 -183378.1239 -149210.1980 299.0797 9.8220 34.5157 558092.0709 -0.5553 -0.6070 PRESSURE: 1814400 -105.654 17.9002 74.2967 17.902 134.127 11.0255 74.2968 11.0266 -34.8803 GPRESSURE: 1814400 -48.8268 10.3488 27.565 -2.16493 196.254 -80.8868 27.2852 111.327 -52.4274 PRESSAVG: 1814400 -51.3874 -56.3885 24.3879 -56.3885 73.8695 21.1131 24.388 21.1131 -22.5783 GPRESSAVG: 1814400 -50.1412 -55.5896 23.2918 -56.1024 74.364 17.8575 27.5649 23.4908 -24.3601 TIMING: 1814400 CPU: 5267.31, 0.00289132/step Wall: 5267.31, 0.00289132/step, 2.5585 hours remaining, 207.375000 MB of memory in use. ENERGY: 1814400 721.4648 2095.6338 1984.4925 115.2513 -206003.8757 17690.6638 0.0000 0.0000 34175.4196 -149220.9500 298.4624 -183396.3696 -149131.3667 299.0610 -2.1356 31.6665 557193.5158 -0.0320 -0.0458 PRESSURE: 1814600 -345.742 128.97 45.0038 128.971 67.5228 -79.9029 45.0041 -79.9038 -305.286 GPRESSURE: 1814600 -306.57 199.187 9.90658 79.9848 36.3682 -80.42 102.518 -47.8675 -216.338 PRESSAVG: 1814600 16.1081 -40.7417 52.2053 -40.7417 -8.8446 22.2506 52.2052 22.2506 -1.49057 GPRESSAVG: 1814600 14.4178 -42.3802 53.4404 -40.8425 -8.73261 25.3511 50.8901 19.3687 -0.00684575 TIMING: 1814600 CPU: 5267.89, 0.00290017/step Wall: 5267.89, 0.00290017/step, 2.56617 hours remaining, 207.375000 MB of memory in use. ENERGY: 1814600 749.4388 2103.6478 1949.4606 103.4598 -205873.1825 17437.7662 0.0000 0.0000 34431.5170 -149097.8924 300.6990 -183529.4094 -148993.5323 298.9573 -194.5019 -162.1799 555976.1166 1.9243 1.8928 PRESSURE: 1814800 -9.74202 -82.6929 11.1873 -82.6946 -117.735 -105.049 11.1864 -105.048 179.285 GPRESSURE: 1814800 82.8029 -73.8403 52.6616 -58.5347 -121.043 -103.415 -26.8241 -251.308 196.023 PRESSAVG: 1814800 1.02825 17.8761 54.1381 17.8761 39.8108 -22.8838 54.1381 -22.8838 -23.226 GPRESSAVG: 1814800 -0.062129 17.5997 54.274 19.4696 40.9818 -23.3118 53.0788 -21.5685 -24.4218 TIMING: 1814800 CPU: 5268.47, 0.00289441/step Wall: 5268.47, 0.00289441/step, 2.56091 hours remaining, 207.375000 MB of memory in use. ENERGY: 1814800 757.3327 2046.2025 1977.1162 114.3135 -205932.7950 17701.1234 0.0000 0.0000 34257.4631 -149079.2436 299.1789 -183336.7066 -148978.7448 299.3413 17.2693 52.5943 556387.0930 5.8710 5.4993 PRESSURE: 1815000 -73.5364 -96.024 116.733 -96.0232 46.7313 -111.506 116.733 -111.505 -100.602 GPRESSURE: 1815000 -24.2795 -77.6101 224.928 -105.146 59.6338 -137.405 61.1399 -49.9734 -71.7486 PRESSAVG: 1815000 -22.0633 -8.77176 40.6256 -8.77159 -0.171523 -58.6907 40.6256 -58.6907 49.9092 GPRESSAVG: 1815000 -21.4926 -10.3531 40.5787 -7.48579 -0.381483 -58.9384 42.3537 -58.8453 50.1257 TIMING: 1815000 CPU: 5269.05, 0.00290776/step Wall: 5269.05, 0.00290776/step, 2.57256 hours remaining, 207.375000 MB of memory in use. ENERGY: 1815000 769.5749 2173.6135 1987.0980 118.6614 -205856.2041 17565.6523 0.0000 0.0000 34269.2222 -148972.3817 299.2816 -183241.6039 -148885.7883 299.6883 -42.4690 -12.1314 557197.6483 9.2248 9.4172 PRESSURE: 1815200 85.7278 -24.2946 31.6756 -24.2945 -32.812 -52.9126 31.6744 -52.9116 193.47 GPRESSURE: 1815200 96.2478 -53.5811 -9.80146 12.1147 30.3236 -55.188 7.31521 -42.94 218.986 PRESSAVG: 1815200 -54.439 -10.1077 30.3965 -10.1076 91.5699 1.58106 30.3966 1.58099 -0.701105 GPRESSAVG: 1815200 -53.3843 -7.47568 28.3249 -11.7553 90.6846 1.76721 29.9554 0.939786 -0.616922 TIMING: 1815200 CPU: 5269.63, 0.00289271/step Wall: 5269.63, 0.00289271/step, 2.55909 hours remaining, 207.375000 MB of memory in use. ENERGY: 1815200 754.5367 2052.1674 1971.4503 107.5960 -206586.8111 18182.5069 0.0000 0.0000 34297.2897 -149221.2642 299.5268 -183518.5539 -149118.4181 299.7393 82.1287 115.1859 557943.0244 12.1433 12.2278 PRESSURE: 1815400 -339.445 27.1628 76.0128 27.1606 -46.5308 31.8959 76.0135 31.8962 -7.20597 GPRESSURE: 1815400 -281.586 97.2872 122.222 11.1319 -40.9449 -16.3027 93.0632 43.9696 25.3592 PRESSAVG: 1815400 -66.3087 47.5267 -32.6761 47.5267 -6.7044 -36.7067 -32.6762 -36.7066 24.0027 GPRESSAVG: 1815400 -67.7931 47.461 -30.2896 46.8291 -6.0664 -34.9723 -34.2403 -36.3886 24.7762 TIMING: 1815400 CPU: 5270.2, 0.00289271/step Wall: 5270.2, 0.00289271/step, 2.55892 hours remaining, 207.375000 MB of memory in use. ENERGY: 1815400 734.7982 2129.4313 1993.1568 115.2024 -206021.0443 17678.7065 0.0000 0.0000 34273.6762 -149096.0730 299.3205 -183369.7492 -149002.7107 299.4887 -131.0604 -99.0572 558624.1885 -16.3368 -16.3611 PRESSURE: 1815600 -104.171 121.525 217.765 121.525 -389.427 -124.145 217.765 -124.143 -262.949 GPRESSURE: 1815600 -109.952 174.077 217.789 50.7639 -362.204 -147.925 210.931 -88.2045 -200.774 PRESSAVG: 1815600 -41.4379 -2.31392 10.1458 -2.31387 -47.5637 39.4197 10.1458 39.4195 73.2984 GPRESSAVG: 1815600 -40.1898 -1.99596 10.2732 -3.21037 -47.7074 38.3312 9.44812 38.781 72.007 TIMING: 1815600 CPU: 5270.78, 0.00288854/step Wall: 5270.78, 0.00288854/step, 2.55507 hours remaining, 207.375000 MB of memory in use. ENERGY: 1815600 740.6032 2096.9894 1990.5854 116.0297 -205642.7085 17386.9803 0.0000 0.0000 34153.5245 -149157.9960 298.2712 -183311.5205 -149060.3078 299.3783 -252.1823 -224.3104 559652.1922 -5.2344 -5.2968 PRESSURE: 1815800 162.502 -60.5042 -79.3084 -60.5043 34.4724 95.1269 -79.3084 95.1274 -341.854 GPRESSURE: 1815800 197.56 11.0265 -124.942 -81.7933 3.03541 21.6692 -93.401 53.8278 -253.517 PRESSAVG: 1815800 37.5151 -5.35456 -16.8092 -5.35456 20.4886 -19.186 -16.8092 -19.1858 -30.2725 GPRESSAVG: 1815800 38.4814 -5.64124 -18.1196 -5.23809 19.2276 -18.9136 -15.4345 -19.9538 -29.7286 TIMING: 1815800 CPU: 5271.36, 0.00288581/step Wall: 5271.36, 0.00288581/step, 2.5525 hours remaining, 207.375000 MB of memory in use. ENERGY: 1815800 748.9897 2136.2840 1967.4727 117.3719 -206353.5164 17818.3246 0.0000 0.0000 34298.1041 -149266.9695 299.5339 -183565.0735 -149172.3919 299.8451 -48.2932 -17.6406 557334.1858 9.2438 9.3268 PRESSURE: 1816000 8.77822 -58.018 -78.2263 -58.0179 125.472 -43.797 -78.2263 -43.7952 30.6942 GPRESSURE: 1816000 -30.8558 -4.16977 -142.779 -37.732 164.454 -130.125 -69.7428 2.82556 134.447 PRESSAVG: 1816000 -47.0081 -24.4561 -27.6025 -24.4561 -17.9425 -11.2489 -27.6025 -11.2489 55.0867 GPRESSAVG: 1816000 -49.0587 -25.7235 -28.251 -21.8341 -17.1065 -11.9505 -25.4719 -10.2377 56.0391 TIMING: 1816000 CPU: 5271.94, 0.00288645/step Wall: 5271.94, 0.00288645/step, 2.5529 hours remaining, 207.375000 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: 1816000 728.8349 2070.7847 1957.8861 126.9159 -206161.5677 17851.9525 0.0000 0.0000 34357.4359 -149067.7577 300.0520 -183425.1936 -148966.8148 299.3846 54.9816 89.3483 557607.3047 -3.2880 -3.3754 PRESSURE: 1816200 -98.3954 97.2182 54.2739 97.219 -232.594 -230.81 54.2738 -230.81 75.691 GPRESSURE: 1816200 -25.9243 112.265 155.526 126.862 -197.61 -308.9 -63.2702 -264.444 63.1612 PRESSAVG: 1816200 -72.5108 16.8317 20.7652 16.8317 -39.6987 5.55915 20.7651 5.55923 99.8903 GPRESSAVG: 1816200 -70.8477 16.6832 23.1412 14.0912 -40.0047 5.68049 16.0303 5.88269 98.5611 TIMING: 1816200 CPU: 5272.52, 0.0029118/step Wall: 5272.52, 0.0029118/step, 2.57517 hours remaining, 207.578125 MB of memory in use. ENERGY: 1816200 738.8411 2074.5681 1974.3757 123.9134 -205986.6974 17593.0618 0.0000 0.0000 34123.1424 -149358.7950 298.0059 -183481.9374 -149269.5764 299.3764 -85.0995 -53.4577 557427.9415 -4.1064 -4.0971 LDB: ============= START OF LOAD BALANCING ============== 5275.98 LDB: ============== END OF LOAD BALANCING =============== 5275.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5275.98 LDB: ============= START OF LOAD BALANCING ============== 5276.27 LDB: Largest compute 4821 load 0.030224 is 25.7% of average load 0.117750 LDB: Average compute 0.001717 is 1.5% of average load 0.117750 LDB: TIME 5276.27 LOAD: AVG 0.11775 MAX 0.176754 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 5276.27 LOAD: AVG 0.11775 MAX 0.176754 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 5276.27 LOAD: AVG 0.11775 MAX 0.176754 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: ============== END OF LOAD BALANCING =============== 5276.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5276.28 PRESSURE: 1816400 -67.2732 87.5174 -25.9251 87.5183 -13.1338 115.277 -25.9239 115.278 108.008 GPRESSURE: 1816400 30.0503 -16.56 -18.4698 83.4007 9.60893 80.9106 -36.9431 139.072 78.8439 PRESSAVG: 1816400 4.0181 18.9957 -60.5343 18.9957 -32.1748 -34.1864 -60.5343 -34.1866 12.943 GPRESSAVG: 1816400 3.79416 18.1924 -62.2068 19.1461 -31.6505 -35.053 -57.9703 -34.1746 12.341 TIMING: 1816400 CPU: 5273.11, 0.00293568/step Wall: 5273.11, 0.00293568/step, 2.59612 hours remaining, 205.105469 MB of memory in use. ENERGY: 1816400 736.9757 2108.3965 1964.2756 106.7022 -206300.7225 17851.3717 0.0000 0.0000 34194.0719 -149338.9290 298.6253 -183533.0008 -149244.3700 298.6207 9.2003 39.5010 557517.3475 -5.0712 -5.1718 PRESSURE: 1816600 -78.5754 -63.4046 -80.1217 -63.4047 -6.43814 -72.1868 -80.1227 -72.1874 296.334 GPRESSURE: 1816600 -55.1604 3.15298 22.5241 -102.355 51.6005 -58.625 -157.545 -105.587 314.214 PRESSAVG: 1816600 -2.47968 -17.2904 30.3343 -17.2905 -32.2588 10.9627 30.3343 10.9626 -11.3203 GPRESSAVG: 1816600 -3.74144 -17.0588 31.3575 -15.2741 -32.2431 12.3802 31.8148 9.53555 -9.89582 TIMING: 1816600 CPU: 5273.68, 0.00286003/step Wall: 5273.68, 0.00286003/step, 2.52906 hours remaining, 205.105469 MB of memory in use. ENERGY: 1816600 757.7827 2097.9248 1975.2176 114.9403 -206415.4363 18000.5458 0.0000 0.0000 34181.6730 -149287.3521 298.5171 -183469.0250 -149190.6134 298.9833 70.4401 103.5513 557014.1179 -15.3529 -15.2934 PRESSURE: 1816800 -167.074 88.7276 51.8476 88.7278 -166.377 -58.7016 51.848 -58.701 161.841 GPRESSURE: 1816800 -164.565 32.5158 124.643 68.4693 -81.1322 -83.9167 3.01526 -18.2896 175.23 PRESSAVG: 1816800 -4.10069 -4.80247 -67.8695 -4.80246 -27.9478 13.8235 -67.8695 13.8235 59.1559 GPRESSAVG: 1816800 -3.5449 -3.84452 -68.1033 -6.61702 -27.1283 13.6735 -69.7006 15.2818 57.7317 TIMING: 1816800 CPU: 5274.25, 0.00286384/step Wall: 5274.25, 0.00286384/step, 2.53227 hours remaining, 205.105469 MB of memory in use. ENERGY: 1816800 778.0842 2062.6754 1995.1928 112.6909 -206234.8580 17709.5574 0.0000 0.0000 34446.6743 -149129.9831 300.8314 -183576.6573 -149035.8314 299.0659 -57.2031 -23.4888 557288.1131 9.0358 9.0195 PRESSURE: 1817000 -217.042 18.5073 37.3172 18.5072 -329.827 -79.6054 37.3179 -79.6062 -335.686 GPRESSURE: 1817000 -175.924 -15.2599 50.3395 16.8265 -256.953 -20.2673 40.4705 -37.4798 -366.997 PRESSAVG: 1817000 -42.1187 1.45327 22.6219 1.45327 -39.7328 -12.9931 22.6219 -12.9932 42.4065 GPRESSAVG: 1817000 -41.0558 2.78967 22.6829 0.877972 -39.6834 -13.9217 21.9697 -12.5169 41.9053 TIMING: 1817000 CPU: 5274.83, 0.00288202/step Wall: 5274.83, 0.00288202/step, 2.54819 hours remaining, 205.105469 MB of memory in use. ENERGY: 1817000 747.8930 2072.7223 1987.8911 126.0507 -205487.9924 17352.3991 0.0000 0.0000 34070.8296 -149130.2065 297.5490 -183201.0361 -149029.4912 299.5409 -294.1849 -266.6244 558209.3894 -13.1483 -12.9446 PRESSURE: 1817200 175.971 15.8086 58.4918 15.8086 -18.7859 -54.2423 58.4914 -54.2412 18.1799 GPRESSURE: 1817200 135.665 -62.6166 113.979 54.5482 37.0893 -31.1493 3.46671 -18.0773 80.5892 PRESSAVG: 1817200 -37.2787 -0.910297 -26.5494 -0.910327 17.0003 6.99149 -26.5494 6.99165 37.1872 GPRESSAVG: 1817200 -38.957 -1.98803 -24.4745 -0.385965 17.3654 7.83612 -24.5682 5.47925 38.1262 TIMING: 1817200 CPU: 5275.4, 0.00288585/step Wall: 5275.4, 0.00288585/step, 2.55142 hours remaining, 205.105469 MB of memory in use. ENERGY: 1817200 712.9180 2086.3031 1985.5573 109.2883 -206090.6558 17834.2852 0.0000 0.0000 34094.9370 -149267.3669 297.7596 -183362.3039 -149176.8995 298.8536 58.4550 84.4477 558632.6772 5.6363 5.5115 PRESSURE: 1817400 25.477 -21.2317 -80.2158 -21.2317 85.2313 23.7424 -80.215 23.7427 10.5702 GPRESSURE: 1817400 61.9153 59.2828 -172.63 -44.3522 127.823 61.6725 -30.3942 -24.6319 25.278 PRESSAVG: 1817400 49.1676 -50.3603 -45.2015 -50.3603 1.31397 -10.6218 -45.2015 -10.6218 -35.7064 GPRESSAVG: 1817400 50.1036 -51.8807 -49.3122 -49.8406 -0.121171 -9.36923 -42.2178 -10.4817 -35.268 TIMING: 1817400 CPU: 5275.98, 0.00287025/step Wall: 5275.98, 0.00287025/step, 2.53746 hours remaining, 205.105469 MB of memory in use. ENERGY: 1817400 691.0147 2036.6700 1957.6550 104.0309 -206272.2453 17710.4276 0.0000 0.0000 34362.5653 -149409.8819 300.0968 -183772.4472 -149309.0577 298.4994 40.4261 71.6723 556788.2924 4.9251 4.9048 PRESSURE: 1817600 -103.066 4.87418 68.8754 4.87534 6.66142 -32.2816 68.876 -32.2822 292.375 GPRESSURE: 1817600 -49.9089 -15.519 24.8511 -29.2474 71.766 60.6509 50.0582 -99.3848 264.523 PRESSAVG: 1817600 42.9211 -26.0666 -49.1237 -26.0667 4.67771 46.701 -49.1237 46.7011 -21.0633 GPRESSAVG: 1817600 42.85 -25.5991 -47.6316 -26.0468 4.81152 43.9568 -53.042 48.4724 -20.9796 TIMING: 1817600 CPU: 5276.55, 0.00288181/step Wall: 5276.55, 0.00288181/step, 2.54752 hours remaining, 205.105469 MB of memory in use. ENERGY: 1817600 758.9885 2097.6653 1967.7690 112.8516 -206302.8923 18083.1548 0.0000 0.0000 34115.0924 -149167.3707 297.9356 -183282.4631 -149080.4950 299.6091 65.3234 95.4601 556991.7200 8.8452 8.8940 PRESSURE: 1817800 -255.505 2.6104 -37.1647 2.61126 36.7507 63.5389 -37.1654 63.5387 37.8791 GPRESSURE: 1817800 -196.25 17.4636 -9.00376 21.6092 72.3335 91.663 16.5675 70.0324 53.2229 PRESSAVG: 1817800 4.58782 8.08445 -22.9567 8.08442 -48.9828 33.7487 -22.9568 33.7488 46.0974 GPRESSAVG: 1817800 5.07392 8.05003 -22.7105 9.73561 -49.8249 35.8861 -21.4668 33.7795 46.1677 TIMING: 1817800 CPU: 5277.13, 0.00287682/step Wall: 5277.13, 0.00287682/step, 2.54295 hours remaining, 205.105469 MB of memory in use. ENERGY: 1817800 707.4774 2092.7124 1964.8079 108.4072 -205918.2047 17519.2881 0.0000 0.0000 34017.8478 -149507.6639 297.0863 -183525.5117 -149418.1855 298.7756 -60.2916 -23.5646 557210.4919 0.5675 0.4722 PRESSURE: 1818000 -375.744 -126.116 -134.585 -126.117 84.4621 16.5982 -134.585 16.5991 11.1773 GPRESSURE: 1818000 -323.648 -121.143 -116.51 -39.3789 160.661 53.0482 -240.958 89.818 -4.67077 PRESSAVG: 1818000 -2.45753 37.5472 -39.7573 37.5472 -17.5689 50.7 -39.7573 50.7 -4.47506 GPRESSAVG: 1818000 -2.87274 38.2946 -39.7572 34.5214 -17.3204 47.279 -42.1989 51.0883 -4.99753 TIMING: 1818000 CPU: 5277.7, 0.00287291/step Wall: 5277.7, 0.00287291/step, 2.53933 hours remaining, 205.105469 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: 1818000 698.9138 2103.3215 1954.2237 107.1272 -206146.1154 17707.2069 0.0000 0.0000 34148.0977 -149427.2245 298.2238 -183575.3222 -149327.9670 297.6216 -93.3682 -55.8861 559072.2036 -8.1672 -8.3969 PRESSURE: 1818200 97.2842 67.4401 -168.128 67.4417 -68.1797 1.94408 -168.129 1.94404 60.6809 GPRESSURE: 1818200 103.093 69.1092 -109.853 48.9846 -9.02112 -118.533 -264.065 100.102 85.0051 PRESSAVG: 1818200 31.9189 -4.3068 -38.9573 -4.3068 -29.876 -38.0383 -38.9573 -38.0383 27.8978 GPRESSAVG: 1818200 33.1224 -3.09842 -38.5625 -4.04054 -29.8052 -36.2778 -37.5614 -37.6544 26.7058 TIMING: 1818200 CPU: 5278.28, 0.00288554/step Wall: 5278.28, 0.00288554/step, 2.55034 hours remaining, 205.144531 MB of memory in use. ENERGY: 1818200 719.1520 2063.8686 1958.1427 105.1549 -206332.3013 17954.2778 0.0000 0.0000 34291.0328 -149240.6723 299.4721 -183531.7052 -149142.7686 298.7466 29.9285 59.6922 558007.1649 9.9802 10.0077 PRESSURE: 1818400 -1.55068 76.6082 100.252 76.6081 -34.7228 88.0565 100.252 88.0558 44.1737 GPRESSURE: 1818400 51.4259 43.3972 121.631 146.292 -22.8671 118.003 62.0663 -12.0248 68.2083 PRESSAVG: 1818400 1.72119 13.6179 35.9507 13.618 11.7506 -51.4268 35.9507 -51.4268 -26.3624 GPRESSAVG: 1818400 2.53602 12.6131 35.502 14.6772 11.3628 -50.7598 35.0574 -53.4367 -26.6255 TIMING: 1818400 CPU: 5278.85, 0.00286799/step Wall: 5278.85, 0.00286799/step, 2.53466 hours remaining, 205.144531 MB of memory in use. ENERGY: 1818400 735.9205 2076.1894 1956.4066 116.5391 -205802.7268 17765.7214 0.0000 0.0000 34128.9277 -149023.0222 298.0564 -183151.9499 -148925.8460 299.1402 2.6334 32.2557 560114.3273 -4.2969 -4.2422 PRESSURE: 1818600 -178.703 -23.8727 -74.6543 -23.8734 8.10391 -190.25 -74.6541 -190.248 60.4396 GPRESSURE: 1818600 -160.588 6.58898 -150.346 -91.713 45.0357 -257.843 47.0219 -120.468 100.969 PRESSAVG: 1818600 7.16845 39.5495 25.7632 39.5494 -4.86628 -40.1615 25.7632 -40.1615 9.47771 GPRESSAVG: 1818600 5.7934 39.6967 25.328 39.1016 -4.29195 -41.6008 26.0616 -39.3277 10.5772 TIMING: 1818600 CPU: 5279.43, 0.00286023/step Wall: 5279.43, 0.00286023/step, 2.52765 hours remaining, 205.144531 MB of memory in use. ENERGY: 1818600 801.3209 2106.4104 1950.7646 126.0554 -205957.2924 17724.4224 0.0000 0.0000 34405.8709 -148842.4479 300.4750 -183248.3188 -148752.0684 299.5510 -36.7199 -4.8610 558667.3460 3.9266 4.0262 PRESSURE: 1818800 -246.46 -65.4953 -37.1694 -65.4948 116.839 -53.1998 -37.1704 -53.1978 -1.66545 GPRESSURE: 1818800 -244.287 -45.2935 -120.826 13.8409 175.311 44.3311 21.815 -152.165 34.1602 PRESSAVG: 1818800 -37.3588 38.678 23.1535 38.678 26.3105 -18.5343 23.1536 -18.5343 39.2187 GPRESSAVG: 1818800 -37.9389 39.7992 23.0018 39.6816 25.5065 -16.4257 23.4122 -20.2798 39.84 TIMING: 1818800 CPU: 5280, 0.00288958/step Wall: 5280, 0.00288958/step, 2.55343 hours remaining, 205.144531 MB of memory in use. ENERGY: 1818800 753.8583 2151.0086 1984.9187 107.4506 -205940.1923 17662.3070 0.0000 0.0000 34145.2066 -149135.4425 298.1986 -183280.6491 -149043.7281 299.8934 -43.7621 -11.6051 556459.2980 9.3901 9.1358 PRESSURE: 1819000 -73.0383 123.663 -81.2864 123.664 -158.697 -8.42926 -81.2858 -8.42775 -233.941 GPRESSURE: 1819000 -94.2539 128.664 -136.927 136.876 -103.784 -31.0566 -0.0971622 -66.6638 -165.984 PRESSAVG: 1819000 -33.6148 14.086 29.4766 14.086 34.8716 -25.4088 29.4766 -25.4088 -14.4334 GPRESSAVG: 1819000 -34.2615 13.7243 29.7938 12.6721 35.7118 -26.9301 28.3592 -25.076 -14.5563 TIMING: 1819000 CPU: 5280.58, 0.00287017/step Wall: 5280.58, 0.00287017/step, 2.53611 hours remaining, 205.144531 MB of memory in use. ENERGY: 1819000 724.6892 2123.0919 1956.1566 105.3532 -205762.7859 17504.0531 0.0000 0.0000 34390.1676 -148959.2744 300.3379 -183349.4419 -148854.9882 299.6558 -155.2253 -121.3404 557717.5828 -4.3922 -4.3687 PRESSURE: 1819200 169.219 -14.61 -14.6451 -14.6076 188.166 -49.6714 -14.6452 -49.6707 -344.169 GPRESSURE: 1819200 189.687 -61.0889 40.5674 -22.1086 275.723 59.7799 -9.50079 -84.7921 -354.233 PRESSAVG: 1819200 6.70056 26.1219 -12.8001 26.1218 -3.65433 -10.2891 -12.8002 -10.2891 6.25074 GPRESSAVG: 1819200 7.30621 26.2536 -12.5079 24.7194 -3.70526 -8.68541 -11.978 -9.34443 5.55525 TIMING: 1819200 CPU: 5281.16, 0.00288249/step Wall: 5281.16, 0.00288249/step, 2.54684 hours remaining, 205.144531 MB of memory in use. ENERGY: 1819200 751.3210 2152.7971 1952.0153 106.2602 -206042.3089 17820.5132 0.0000 0.0000 34057.0474 -149202.3548 297.4287 -183259.4021 -149102.9360 299.7565 4.4050 37.0589 557140.2820 3.0990 3.0521 PRESSURE: 1819400 -139.382 113.029 102.053 113.03 10.9897 -281.209 102.054 -281.21 54.667 GPRESSURE: 1819400 -92.1044 135.696 125.189 67.4839 31.9192 -270.825 30.2523 -307.91 84.4184 PRESSAVG: 1819400 56.1073 -28.2888 35.3389 -28.2888 29.2067 16.273 35.3389 16.273 -31.8238 GPRESSAVG: 1819400 55.3535 -29.8046 33.5254 -26.4087 29.0916 15.3993 34.7375 16.1138 -30.6542 TIMING: 1819400 CPU: 5281.73, 0.00289152/step Wall: 5281.73, 0.00289152/step, 2.55466 hours remaining, 205.144531 MB of memory in use. ENERGY: 1819400 743.7313 2061.4797 1974.5212 113.3813 -206259.4230 17817.4558 0.0000 0.0000 34263.8137 -149285.0400 299.2344 -183548.8536 -149191.0576 298.7898 -24.5750 8.0777 557311.7387 17.8301 17.9303 PRESSURE: 1819600 45.2721 139.554 78.8117 139.554 -217.062 3.23874 78.8118 3.23918 -101.049 GPRESSURE: 1819600 54.9365 128.76 167.088 121.178 -132.129 6.32903 -82.1976 -23.3281 -108.857 PRESSAVG: 1819600 16.2635 -4.26289 32.1403 -4.2629 -28.2082 -38.2235 32.1404 -38.2236 -13.7581 GPRESSAVG: 1819600 16.9667 -3.22783 33.145 -4.4447 -26.8199 -37.6936 32.4199 -37.1346 -15.2656 TIMING: 1819600 CPU: 5282.31, 0.00287798/step Wall: 5282.31, 0.00287798/step, 2.54253 hours remaining, 205.144531 MB of memory in use. ENERGY: 1819600 710.4160 2087.1476 1951.4065 114.5194 -205873.3688 17553.2302 0.0000 0.0000 34183.7304 -149272.9188 298.5350 -183456.6492 -149171.9085 298.6915 -90.9465 -62.0164 557169.2711 -8.5676 -8.3729 PRESSURE: 1819800 52.3698 -65.8691 -46.6962 -65.869 -249.626 136.033 -46.6962 136.032 -188.877 GPRESSURE: 1819800 80.9294 -80.9339 -54.152 -57.1989 -251.421 87.4614 2.26307 171.896 -98.5398 PRESSAVG: 1819800 8.71747 7.79904 -17.5784 7.79902 -14.0501 -10.9312 -17.5784 -10.9313 16.4123 GPRESSAVG: 1819800 9.69792 7.92521 -19.9375 6.45736 -15.7427 -11.2898 -16.338 -13.4244 17.2193 TIMING: 1819800 CPU: 5282.89, 0.00288563/step Wall: 5282.89, 0.00288563/step, 2.54914 hours remaining, 205.144531 MB of memory in use. ENERGY: 1819800 757.5395 2058.5065 1959.5253 112.4806 -205932.0784 17796.7415 0.0000 0.0000 33918.8951 -149328.3900 296.2221 -183247.2850 -149229.4887 298.7359 -128.7111 -89.6771 558951.6406 3.6932 3.7249 PRESSURE: 1820000 -345.903 -50.0473 -129.952 -50.0469 -225.941 -40.7463 -129.953 -40.7473 -284.491 GPRESSURE: 1820000 -273.111 -89.245 -79.302 -54.7061 -178.54 -72.3043 -138.903 -112.956 -301.339 PRESSAVG: 1820000 -36.276 16.308 21.2387 16.3081 35.0944 -12.8125 21.2386 -12.8124 7.52653 GPRESSAVG: 1820000 -37.3473 15.5554 24.5501 20.1074 36.5894 -14.6826 20.8825 -11.3974 6.71232 TIMING: 1820000 CPU: 5283.47, 0.00291086/step Wall: 5283.47, 0.00291086/step, 2.57126 hours remaining, 205.144531 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: 1820000 775.0084 2092.8996 1966.1920 106.2814 -205867.2318 17328.3861 0.0000 0.0000 34137.1633 -149461.3010 298.1283 -183598.4643 -149361.6267 298.3220 -285.4450 -250.9966 558089.3066 2.1150 1.9848 PRESSURE: 1820200 -55.4663 95.6369 -157.177 95.6372 -231.362 117.494 -157.179 117.494 -98.6416 GPRESSURE: 1820200 -21.3456 14.2779 -156.854 61.9331 -145.973 156.055 -20.6391 118.822 -131.365 PRESSAVG: 1820200 -14.9302 32.6213 -51.3784 32.6212 5.98827 -24.1126 -51.3784 -24.1125 -12.768 GPRESSAVG: 1820200 -14.4395 33.547 -52.7725 31.5654 4.61586 -22.4822 -51.2057 -24.245 -12.1448 TIMING: 1820200 CPU: 5284.05, 0.0028956/step Wall: 5284.05, 0.00289559/step, 2.55761 hours remaining, 205.144531 MB of memory in use. ENERGY: 1820200 781.1061 2095.9506 1962.4207 104.5447 -206220.5861 17728.2081 0.0000 0.0000 34106.3016 -149442.0544 297.8588 -183548.3560 -149341.2660 298.8020 -128.4900 -99.5613 558903.9088 -7.2366 -7.3228 LDB: ============= START OF LOAD BALANCING ============== 5287.51 LDB: ============== END OF LOAD BALANCING =============== 5287.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5287.51 LDB: ============= START OF LOAD BALANCING ============== 5287.8 LDB: Largest compute 4821 load 0.029121 is 24.7% of average load 0.117746 LDB: Average compute 0.001717 is 1.5% of average load 0.117746 LDB: TIME 5287.8 LOAD: AVG 0.117746 MAX 0.179142 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 5287.8 LOAD: AVG 0.117746 MAX 0.179142 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: TIME 5287.8 LOAD: AVG 0.117746 MAX 0.179142 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: ============== END OF LOAD BALANCING =============== 5287.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5287.81 PRESSURE: 1820400 -42.5706 -69.5523 90.6815 -69.5539 -269.857 14.2827 90.6814 14.2825 75.0081 GPRESSURE: 1820400 -21.7689 -100.563 135.371 -30.1482 -193.919 23.538 142.387 73.2815 71.6825 PRESSAVG: 1820400 19.4684 26.1855 -21.0144 26.1856 -13.0488 -34.2705 -21.0144 -34.2705 8.00511 GPRESSAVG: 1820400 20.3246 25.0821 -21.8618 27.6424 -12.9756 -33.6693 -22.0888 -36.5012 7.0686 TIMING: 1820400 CPU: 5284.64, 0.00293924/step Wall: 5284.64, 0.00293924/step, 2.59601 hours remaining, 206.640625 MB of memory in use. ENERGY: 1820400 750.1780 2065.0387 1936.1384 114.1058 -206511.7842 17935.6954 0.0000 0.0000 34323.2037 -149387.4242 299.7531 -183710.6279 -149284.1128 299.3923 -79.1400 -48.0020 557116.9021 4.8082 4.8059 PRESSURE: 1820600 -276.337 143.817 16.2351 143.818 -94.344 146.103 16.2364 146.102 -0.0636437 GPRESSURE: 1820600 -247.688 170.708 -6.06405 44.3068 -89.9661 155.524 92.7211 114.125 67.0107 PRESSAVG: 1820600 -22.5407 45.9883 15.9366 45.9883 30.4832 35.1029 15.9367 35.1031 -14.8679 GPRESSAVG: 1820600 -22.7016 45.1576 17.4242 44.6524 29.6848 35.463 14.5724 36.0076 -13.8888 TIMING: 1820600 CPU: 5285.21, 0.00288923/step Wall: 5285.21, 0.00288923/step, 2.55167 hours remaining, 206.640625 MB of memory in use. ENERGY: 1820600 765.9927 2066.4891 1986.7565 118.6423 -206345.3727 17599.1631 0.0000 0.0000 34467.2669 -149341.0621 301.0112 -183808.3290 -149243.1400 299.1600 -123.5815 -90.2144 556242.9641 -2.3085 -2.3019 PRESSURE: 1820800 95.8939 14.678 -44.9449 14.6786 176.763 -10.4494 -44.945 -10.4498 26.9499 GPRESSURE: 1820800 48.105 125.663 -12.1498 -84.8018 285.603 -39.1728 -101.564 57.7118 61.7204 PRESSAVG: 1820800 -7.20663 45.1684 -50.4859 45.1684 18.9316 25.0992 -50.4858 25.0993 10.4816 GPRESSAVG: 1820800 -7.66964 47.1513 -52.1586 43.7721 19.1242 23.8882 -49.7084 26.5733 10.4436 TIMING: 1820800 CPU: 5285.79, 0.00289344/step Wall: 5285.79, 0.00289344/step, 2.55522 hours remaining, 206.777344 MB of memory in use. ENERGY: 1820800 734.0699 2130.8471 1994.1718 110.8225 -206587.7349 17992.4620 0.0000 0.0000 34312.9831 -149312.3785 299.6638 -183625.3615 -149219.4609 299.6685 99.8689 131.8095 555650.5005 7.4022 7.2994 PRESSURE: 1821000 -1.99648 133.978 131.447 133.977 1.97702 -93.5119 131.446 -93.5112 -101.367 GPRESSURE: 1821000 7.68983 120.232 175.306 123.892 75.3165 53.878 50.5763 -132.591 -74.3591 PRESSAVG: 1821000 -61.9164 32.1967 9.32579 32.1967 72.0261 -57.025 9.32579 -57.025 7.41918 GPRESSAVG: 1821000 -62.483 31.6096 9.70839 33.2471 71.5482 -58.3458 8.78945 -56.6597 7.57396 TIMING: 1821000 CPU: 5286.37, 0.0028949/step Wall: 5286.37, 0.0028949/step, 2.55636 hours remaining, 206.777344 MB of memory in use. ENERGY: 1821000 726.7698 2096.4045 1968.2327 113.7850 -206068.1961 17755.6399 0.0000 0.0000 34127.9996 -149279.3646 298.0483 -183407.3642 -149181.0954 299.4156 -33.7956 2.8824 557353.3139 5.8430 5.5464 PRESSURE: 1821200 -63.9017 -45.9304 -165.465 -45.9301 -224.198 102.069 -165.466 102.068 -76.8459 GPRESSURE: 1821200 29.1758 -132.282 -110.513 -0.923366 -253.227 119.46 -118.372 13.9897 -47.6089 PRESSAVG: 1821200 -41.0283 -9.97944 -22.5712 -9.97944 -18.9824 6.07336 -22.5713 6.07343 79.8342 GPRESSAVG: 1821200 -38.9899 -11.8324 -21.6712 -8.96414 -19.9867 6.86917 -22.5831 3.87058 78.7499 TIMING: 1821200 CPU: 5286.94, 0.00286013/step Wall: 5286.94, 0.00286013/step, 2.5255 hours remaining, 206.777344 MB of memory in use. ENERGY: 1821200 755.0040 2058.0878 1997.7951 109.1869 -206049.1424 17742.3666 0.0000 0.0000 34057.9983 -149328.7037 297.4370 -183386.7021 -149228.0837 299.1133 -121.6484 -90.5534 558536.9425 6.6078 6.5911 PRESSURE: 1821400 -164.941 -29.4355 20.5409 -29.4368 -119.219 52.2421 20.5406 52.2414 46.3327 GPRESSURE: 1821400 -127.611 -59.5105 4.31255 19.3472 -71.9704 83.6352 38.7644 50.0865 51.2457 PRESSAVG: 1821400 41.7495 -34.0652 -52.4767 -34.0652 -26.4104 -41.0523 -52.4767 -41.0525 -31.4815 GPRESSAVG: 1821400 40.4728 -31.9019 -54.3907 -36.8114 -25.8609 -39.0577 -50.5119 -41.4292 -30.8266 TIMING: 1821400 CPU: 5287.53, 0.00291547/step Wall: 5287.53, 0.00291547/step, 2.5742 hours remaining, 206.777344 MB of memory in use. ENERGY: 1821400 734.5984 2061.0305 1979.3053 110.3971 -206630.9314 17929.1524 0.0000 0.0000 34485.9486 -149330.4992 301.1744 -183816.4478 -149225.5113 299.1514 -79.2760 -49.4451 558575.4297 -5.3808 -5.4049 PRESSURE: 1821600 30.5423 54.0689 -50.4498 54.0683 110.259 -238.684 -50.4496 -238.682 -223.014 GPRESSURE: 1821600 57.1493 0.261273 -16.4543 47.3222 154.712 -277.648 24.7408 -137.877 -192.338 PRESSAVG: 1821600 39.0362 15.1888 -17.6933 15.1889 -33.1473 14.5976 -17.6933 14.5977 -49.9039 GPRESSAVG: 1821600 38.4509 14.4682 -15.8192 16.5511 -32.624 12.1086 -18.7398 16.5587 -49.8228 TIMING: 1821600 CPU: 5288.11, 0.00291734/step Wall: 5288.11, 0.00291734/step, 2.57568 hours remaining, 206.847656 MB of memory in use. ENERGY: 1821600 765.4558 2066.4295 1967.8847 116.2247 -206456.8907 17901.5812 0.0000 0.0000 34195.3864 -149443.9284 298.6368 -183639.3148 -149350.9801 298.6684 -27.4042 6.5077 557767.3078 -14.6717 -14.6653 PRESSURE: 1821800 -109.972 8.86624 14.1218 8.86568 -94.0243 -22.2891 14.1207 -22.2908 -351.601 GPRESSURE: 1821800 -85.2587 -38.1861 -0.555772 98.1199 -8.4284 -9.62823 39.1141 -10.5229 -359.957 PRESSAVG: 1821800 77.9708 57.0275 -11.6781 57.0277 4.31059 5.39567 -11.6781 5.39556 -79.9277 GPRESSAVG: 1821800 78.2245 56.389 -10.9348 56.6462 4.91551 6.40066 -12.1923 6.20225 -81.1389 TIMING: 1821800 CPU: 5288.69, 0.00288182/step Wall: 5288.69, 0.00288182/step, 2.54416 hours remaining, 206.847656 MB of memory in use. ENERGY: 1821800 811.3564 2053.4866 1973.7648 111.9159 -206343.7549 17760.7000 0.0000 0.0000 34086.0984 -149546.4329 297.6824 -183632.5313 -149448.7886 298.2821 -185.1993 -151.2146 559190.8971 0.7845 0.6671 PRESSURE: 1822000 88.353 83.3113 15.3985 83.3108 20.1155 14.1263 15.3975 14.1283 -180.02 GPRESSURE: 1822000 68.2355 119.856 -42.4528 52.1398 68.5642 55.095 -84.1777 -26.4307 -108.286 PRESSAVG: 1822000 -22.0109 6.63307 -57.0698 6.63312 65.1354 52.7049 -57.0698 52.7049 -49.2204 GPRESSAVG: 1822000 -22.6575 6.56313 -58.5874 6.628 64.8963 51.5431 -56.0508 51.5009 -48.5448 TIMING: 1822000 CPU: 5289.27, 0.00290776/step Wall: 5289.27, 0.00290776/step, 2.5669 hours remaining, 206.847656 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: 1822000 762.1109 2145.7552 1950.1117 117.3300 -206645.3214 18017.0147 0.0000 0.0000 34018.3693 -149634.6297 297.0909 -183652.9989 -149543.5942 297.9247 -23.8507 9.5045 558066.9470 -2.0320 -2.1020 PRESSURE: 1822200 -209.553 -103.815 -72.6936 -103.816 -160.736 271.757 -72.6944 271.758 -341.784 GPRESSURE: 1822200 -217.507 -123.706 -107.048 -90.1383 -138.952 190.036 -20.7389 263.014 -266.708 PRESSAVG: 1822200 -21.5102 -30.865 7.75025 -30.865 12.1177 5.62669 7.75031 5.6268 29.2315 GPRESSAVG: 1822200 -20.0492 -30.7292 6.03352 -32.4589 11.3673 3.68282 8.29012 6.95309 28.2368 TIMING: 1822200 CPU: 5289.85, 0.00290012/step Wall: 5289.85, 0.00290012/step, 2.56 hours remaining, 206.847656 MB of memory in use. ENERGY: 1822200 771.7330 2038.7471 1959.1594 115.1839 -206273.2238 17452.9168 0.0000 0.0000 34253.9396 -149681.5440 299.1482 -183935.4836 -149589.1025 298.2303 -237.3578 -207.7223 557342.6475 6.6130 6.5183 PRESSURE: 1822400 230.752 -4.0107 31.2002 -4.01078 110.956 96.8054 31.2013 96.806 -206.702 GPRESSURE: 1822400 229.686 -12.1196 29.1057 40.8795 197.642 41.4431 -21.5919 94.2511 -188.595 PRESSAVG: 1822400 -41.2888 35.0386 -29.2481 35.0386 40.4137 6.54649 -29.2481 6.5465 -30.0811 GPRESSAVG: 1822400 -41.7972 35.0557 -27.6147 36.2543 41.359 8.77986 -30.5249 5.11605 -30.6634 TIMING: 1822400 CPU: 5290.43, 0.0028987/step Wall: 5290.43, 0.0028987/step, 2.55858 hours remaining, 206.847656 MB of memory in use. ENERGY: 1822400 732.7450 2079.1421 1961.7866 113.4645 -206591.3343 17920.0526 0.0000 0.0000 34130.5255 -149653.6180 298.0704 -183784.1435 -149563.8524 297.9969 45.0021 79.5776 556675.7587 -10.3187 -10.3672 PRESSURE: 1822600 -16.7695 -114.492 3.93171 -114.493 324.355 -33.0084 3.93176 -33.0079 -347.805 GPRESSURE: 1822600 8.89115 -171.963 -51.8835 -141.881 340.994 -52.2904 108.658 39.9524 -275.925 PRESSAVG: 1822600 32.1566 -2.24904 11.6087 -2.24906 43.8987 -11.5864 11.6087 -11.5865 -43.8365 GPRESSAVG: 1822600 32.1396 -4.40768 12.9096 -0.0472534 43.3569 -10.7241 10.9102 -13.0355 -42.8742 TIMING: 1822600 CPU: 5291.01, 0.00290142/step Wall: 5291.01, 0.00290141/step, 2.56082 hours remaining, 206.847656 MB of memory in use. ENERGY: 1822600 730.6299 2085.4020 1966.9831 105.3270 -206769.5562 17965.1598 0.0000 0.0000 34250.3697 -149665.6846 299.1170 -183916.0543 -149562.6887 298.4368 -13.4065 24.6533 556524.6136 10.7396 10.8741 PRESSURE: 1822800 4.62258 44.754 131.244 44.7531 1.43985 15.3974 131.245 15.3981 -354.412 GPRESSURE: 1822800 29.4653 71.2105 66.3812 25.6479 24.6604 -8.95948 45.0687 111.144 -314.887 PRESSAVG: 1822800 24.3318 -12.2175 31.7354 -12.2175 37.7263 -34.0557 31.7354 -34.0558 -58.57 GPRESSAVG: 1822800 24.2114 -9.9856 31.9364 -13.8136 37.5178 -35.9179 32.4681 -31.981 -58.7618 TIMING: 1822800 CPU: 5291.59, 0.00290246/step Wall: 5291.59, 0.00290246/step, 2.56158 hours remaining, 206.847656 MB of memory in use. ENERGY: 1822800 709.4148 2089.1752 1977.1622 121.8270 -206233.0431 17591.8185 0.0000 0.0000 34212.5589 -149531.0865 298.7868 -183743.6454 -149445.4216 298.2788 -116.1164 -86.9204 559371.6339 1.1627 0.9891 PRESSURE: 1823000 42.0532 159.92 221.476 159.92 8.07384 196.063 221.477 196.063 19.021 GPRESSURE: 1823000 52.0475 106.741 240.884 173.979 16.6667 249.094 164.916 73.509 95.2514 PRESSAVG: 1823000 -8.02889 -9.42909 85.8747 -9.42911 -43.8552 47.5987 85.8747 47.5987 -5.24023 GPRESSAVG: 1823000 -7.45496 -10.0216 84.1738 -9.26554 -44.0146 49.9384 87.4537 45.1094 -5.95768 TIMING: 1823000 CPU: 5292.17, 0.00289856/step Wall: 5292.17, 0.00289856/step, 2.55798 hours remaining, 206.847656 MB of memory in use. ENERGY: 1823000 740.9429 2096.0102 1971.9086 122.8534 -206630.4020 17980.3266 0.0000 0.0000 34306.0985 -149412.2619 299.6037 -183718.3604 -149321.1472 298.6049 23.0494 54.6552 557040.3320 -19.0415 -19.1424 PRESSURE: 1823200 175.395 126.398 110.569 126.399 34.8122 -80.4542 110.568 -80.4553 44.9795 GPRESSURE: 1823200 181.281 136.026 208.16 169.62 79.8053 -115.607 112.488 -82.2703 81.1767 PRESSAVG: 1823200 92.2372 -0.619758 46.9523 -0.619814 -28.5568 -7.81787 46.9522 -7.81783 -40.7693 GPRESSAVG: 1823200 91.8563 0.0183704 48.2492 0.456058 -28.3041 -8.63424 44.3239 -6.70981 -40.5195 TIMING: 1823200 CPU: 5292.75, 0.00289674/step Wall: 5292.75, 0.00289675/step, 2.55622 hours remaining, 206.847656 MB of memory in use. ENERGY: 1823200 709.6032 2060.4278 1972.4626 116.5952 -206480.8082 18028.6995 0.0000 0.0000 34182.5068 -149410.5131 298.5243 -183593.0199 -149312.3817 299.1194 85.0623 114.0877 557303.7498 7.6370 7.6776 PRESSURE: 1823400 -141.42 -52.5796 -9.5901 -52.5794 -63.5214 76.1017 -9.59017 76.1018 337.092 GPRESSURE: 1823400 -97.345 20.2928 -15.8447 -74.3352 14.5365 176.339 4.33325 -33.884 312.391 PRESSAVG: 1823400 64.1657 34.9965 52.4359 34.9963 -49.3004 -31.1508 52.4358 -31.1508 1.99762 GPRESSAVG: 1823400 63.9196 34.352 53.4177 33.3249 -48.5332 -31.7455 53.1992 -30.008 1.51349 TIMING: 1823400 CPU: 5293.32, 0.00287395/step Wall: 5293.32, 0.00287395/step, 2.53594 hours remaining, 206.847656 MB of memory in use. ENERGY: 1823400 744.1953 2065.7755 1968.4008 114.9169 -206182.2715 17771.5067 0.0000 0.0000 34122.4052 -149395.0711 297.9995 -183517.4763 -149300.1419 298.4340 44.0500 76.5276 556087.9792 5.6210 5.6333 PRESSURE: 1823600 -39.4426 -52.7102 21.1683 -52.7105 147.895 58.523 21.1674 58.5228 82.6618 GPRESSURE: 1823600 39.4045 -89.0802 -12.4235 -53.3654 127.288 18.7067 -6.9924 32.2094 128.359 PRESSAVG: 1823600 -32.4804 -40.7351 -50.3623 -40.7351 6.79823 29.2287 -50.3623 29.2288 9.12784 GPRESSAVG: 1823600 -33.1688 -39.722 -50.9409 -40.9331 6.55462 32.188 -49.2917 27.1176 9.83786 TIMING: 1823600 CPU: 5293.9, 0.00290082/step Wall: 5293.9, 0.00290082/step, 2.55949 hours remaining, 206.847656 MB of memory in use. ENERGY: 1823600 715.5113 2038.3893 1950.3656 118.1947 -206553.8986 18117.7241 0.0000 0.0000 34286.9254 -149326.7882 299.4362 -183613.7137 -149229.1326 297.8951 63.7048 98.3505 558128.3421 -5.5181 -5.5921 PRESSURE: 1823800 96.109 189.282 76.8017 189.282 5.25294 80.344 76.8015 80.3447 163.135 GPRESSURE: 1823800 88.7917 141.166 96.6749 283.13 19.3001 140.495 137.188 28.2342 246.144 PRESSAVG: 1823800 -6.78501 45.4061 9.04418 45.4062 -0.351933 15.4996 9.04411 15.4996 50.5541 GPRESSAVG: 1823800 -8.22576 43.2633 7.56719 47.2426 0.681587 15.0974 10.2048 16.3566 50.3847 TIMING: 1823800 CPU: 5294.48, 0.00290409/step Wall: 5294.48, 0.00290409/step, 2.56221 hours remaining, 206.847656 MB of memory in use. ENERGY: 1823800 738.4827 2166.4943 1945.4105 120.5155 -206352.1606 17873.9570 0.0000 0.0000 34137.3812 -149369.9193 298.1302 -183507.3005 -149272.6124 298.7102 88.1656 118.0785 556693.6128 14.4724 14.2802 PRESSURE: 1824000 -144.792 47.423 -52.9392 47.4237 -19.6378 13.1408 -52.9405 13.1414 -11.2159 GPRESSURE: 1824000 -123.432 22.0868 -97.5052 107.468 -20.886 -4.49117 -58.9259 -19.3447 71.2809 PRESSAVG: 1824000 60.0495 44.1831 29.5415 44.1831 -44.2791 -27.6288 29.5415 -27.6288 -0.777843 GPRESSAVG: 1824000 61.9215 46.0586 32.5204 43.0567 -46.5378 -30.2873 26.0693 -26.5704 -0.346852 TIMING: 1824000 CPU: 5295.06, 0.00289943/step Wall: 5295.06, 0.00289943/step, 2.55794 hours remaining, 206.847656 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: 1824000 759.2136 2026.3942 1958.7653 120.7272 -206218.5479 17713.0993 0.0000 0.0000 34227.5029 -149412.8455 298.9173 -183640.3484 -149314.5306 298.6559 -58.5487 -24.3457 557491.8445 4.9975 5.0123 PRESSURE: 1824200 291.134 50.1243 44.8282 50.1238 2.86659 58.7964 44.8288 58.7963 -108.65 GPRESSURE: 1824200 316.566 1.12255 -9.27859 32.851 66.2335 26.0461 138.938 33.4465 -97.364 PRESSAVG: 1824200 59.1324 49.1083 24.1012 49.1083 -8.0391 10.5111 24.1013 10.5111 1.20858 GPRESSAVG: 1824200 58.5387 47.2188 20.8284 49.7967 -6.3979 11.3332 25.3109 8.88566 0.556813 TIMING: 1824200 CPU: 5295.64, 0.00290984/step Wall: 5295.64, 0.00290984/step, 2.56697 hours remaining, 206.847656 MB of memory in use. ENERGY: 1824200 765.0615 2109.0810 1954.1168 114.4407 -206367.5472 18103.5495 0.0000 0.0000 33949.4866 -149371.8112 296.4893 -183321.2978 -149280.7050 298.5858 61.7836 95.1450 557339.5116 17.4340 17.5659 LDB: ============= START OF LOAD BALANCING ============== 5299.11 LDB: ============== END OF LOAD BALANCING =============== 5299.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.11 LDB: ============= START OF LOAD BALANCING ============== 5299.4 LDB: Largest compute 4821 load 0.028313 is 24.1% of average load 0.117595 LDB: Average compute 0.001712 is 1.5% of average load 0.117595 LDB: TIME 5299.4 LOAD: AVG 0.117595 MAX 0.17635 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.617 MB LDB: TIME 5299.4 LOAD: AVG 0.117595 MAX 0.17635 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: TIME 5299.4 LOAD: AVG 0.117595 MAX 0.17635 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5299.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.41 PRESSURE: 1824400 118.862 -83.302 -45.7327 -83.3023 -45.04 27.6945 -45.7318 27.6956 215.031 GPRESSURE: 1824400 197.358 -54.4906 -10.4168 -71.7861 -21.7475 75.8049 30.2046 -9.65544 222.785 PRESSAVG: 1824400 63.501 6.57574 1.27223 6.57574 -42.9867 9.03858 1.27225 9.03865 -41.3239 GPRESSAVG: 1824400 62.2415 6.2212 3.15724 7.63902 -44.0087 10.2868 3.52777 8.57603 -39.679 TIMING: 1824400 CPU: 5296.24, 0.00295298/step Wall: 5296.24, 0.00295298/step, 2.60485 hours remaining, 205.859375 MB of memory in use. ENERGY: 1824400 741.0489 2111.6257 1957.3472 117.5269 -206210.4716 17892.0806 0.0000 0.0000 34278.8580 -149111.9843 299.3658 -183390.8423 -149021.0344 298.9687 96.2846 132.7985 557455.9991 -6.9365 -7.1487 PRESSURE: 1824600 30.9614 75.9157 31.2259 75.9158 38.589 -34.5738 31.227 -34.5726 -59.6638 GPRESSURE: 1824600 3.15618 108.178 -1.22302 12.329 76.9657 -3.09594 36.8988 24.4143 29.4868 PRESSAVG: 1824600 52.3787 6.68344 63.4118 6.68362 -23.3838 15.3194 63.4119 15.3193 -33.9633 GPRESSAVG: 1824600 52.8397 9.2316 64.2452 3.50762 -22.2455 14.337 61.8346 18.2103 -34.8846 TIMING: 1824600 CPU: 5296.82, 0.00290346/step Wall: 5296.82, 0.00290346/step, 2.56101 hours remaining, 206.039062 MB of memory in use. ENERGY: 1824600 739.0297 2110.8090 1929.1508 117.7853 -206290.8832 17750.1551 0.0000 0.0000 34171.3551 -149472.5981 298.4269 -183643.9533 -149363.7694 299.0360 3.2955 36.5362 557669.7552 -1.6562 -1.4301 PRESSURE: 1824800 -43.7644 48.9705 -100.976 48.971 61.0085 99.1513 -100.976 99.151 -66.7227 GPRESSURE: 1824800 -15.3715 -62.3689 -30.5312 70.7012 156.391 53.024 -92.8858 148.361 -86.4687 PRESSAVG: 1824800 76.8884 22.3306 35.0575 22.3307 -24.9139 -28.4715 35.0576 -28.4714 -0.0213944 GPRESSAVG: 1824800 77.7313 20.9216 32.6876 24.3111 -25.2483 -27.7416 35.4803 -29.5952 0.104439 TIMING: 1824800 CPU: 5297.39, 0.00289189/step Wall: 5297.39, 0.00289189/step, 2.55065 hours remaining, 206.039062 MB of memory in use. ENERGY: 1824800 733.6734 2070.0164 1975.8258 112.3509 -206349.1567 17758.4728 0.0000 0.0000 34079.5986 -149619.2189 297.6256 -183698.8175 -149514.8737 298.2975 -16.4929 18.1835 556381.7042 17.3177 17.5291 PRESSURE: 1825000 118.797 -92.2485 -158.806 -92.2473 16.6556 -172.515 -158.805 -172.517 54.0242 GPRESSURE: 1825000 136.359 -135.998 -126.603 -137.761 112.548 -136.189 -200.254 -203.24 29.0509 PRESSAVG: 1825000 -18.4581 -37.766 26.6583 -37.766 -4.44696 -26.2141 26.6583 -26.2142 17.0329 GPRESSAVG: 1825000 -19.4976 -38.0931 28.2392 -37.6324 -3.80348 -26.4923 25.0245 -27.6744 17.1159 TIMING: 1825000 CPU: 5297.97, 0.00288143/step Wall: 5297.97, 0.00288143/step, 2.54126 hours remaining, 206.039062 MB of memory in use. ENERGY: 1825000 735.0895 2074.9273 2004.9594 122.2445 -206901.7682 18060.5040 0.0000 0.0000 34405.1854 -149498.8581 300.4690 -183904.0435 -149398.5082 298.3616 63.1589 92.6526 555954.2200 -1.9574 -2.0617 PRESSURE: 1825200 -48.8181 -148.137 -59.7047 -148.136 -153.417 148.844 -59.706 148.844 65.9459 GPRESSURE: 1825200 37.5085 -196.879 -8.27465 -225.006 -98.8739 104.717 -55.0021 151.821 29.6026 PRESSAVG: 1825200 13.6634 -20.1052 6.98326 -20.1052 -65.9164 -6.40603 6.98321 -6.40612 55.1657 GPRESSAVG: 1825200 13.2509 -20.6186 6.44072 -20.0143 -66.099 -6.8635 7.4344 -3.81685 55.461 TIMING: 1825200 CPU: 5298.55, 0.00290589/step Wall: 5298.55, 0.00290589/step, 2.56267 hours remaining, 206.121094 MB of memory in use. ENERGY: 1825200 727.2082 2154.8573 1976.8287 115.2398 -206457.4758 17830.4450 0.0000 0.0000 34175.8506 -149477.0462 298.4662 -183652.8968 -149391.3912 298.4976 -45.4296 -10.5876 557304.3531 0.9709 0.8710 PRESSURE: 1825400 -136.96 8.88887 -0.668279 8.88828 159.297 -305.342 -0.666216 -305.343 80.818 GPRESSURE: 1825400 -64.8303 57.6677 8.05356 1.1908 142.767 -275.342 40.4461 -317.344 124.562 PRESSAVG: 1825400 23.3639 -31.5808 25.6364 -31.5808 17.4758 -34.5559 25.6364 -34.5559 -15.5014 GPRESSAVG: 1825400 24.1296 -30.0137 25.5615 -34.192 17.3988 -35.8099 26.8477 -34.8379 -16.112 TIMING: 1825400 CPU: 5299.13, 0.00287656/step Wall: 5299.13, 0.00287656/step, 2.53664 hours remaining, 206.121094 MB of memory in use. ENERGY: 1825400 771.9149 2123.5619 1953.0274 125.0478 -207007.0100 18017.6673 0.0000 0.0000 34391.6994 -149624.0914 300.3513 -184015.7907 -149527.0795 298.8102 34.3848 67.4994 555752.3741 8.4461 8.4721 PRESSURE: 1825600 45.956 -23.922 156.051 -23.9226 181.061 -165.796 156.051 -165.797 -120.858 GPRESSURE: 1825600 49.0891 38.078 169.334 -33.9135 237.657 -204.5 71.4384 -101.252 -89.2771 PRESSAVG: 1825600 -23.1633 -12.8618 -25.2111 -12.8617 -35.2005 -23.284 -25.2112 -23.284 13.4878 GPRESSAVG: 1825600 -23.6944 -14.0262 -26.8091 -12.0461 -36.167 -23.4944 -25.1257 -23.6948 14.6679 TIMING: 1825600 CPU: 5299.71, 0.00289301/step Wall: 5299.71, 0.00289301/step, 2.55099 hours remaining, 206.121094 MB of memory in use. ENERGY: 1825600 715.3992 2051.8429 1962.1873 114.8242 -206711.1651 17906.7485 0.0000 0.0000 34236.4082 -149723.7548 298.9951 -183960.1630 -149626.3604 298.3711 35.3862 65.8229 556427.5437 -14.9587 -15.0645 PRESSURE: 1825800 -103.972 13.4938 -94.9979 13.4939 -203.913 -187.079 -94.9994 -187.079 -33.1041 GPRESSURE: 1825800 -83.3909 84.916 -103.943 -61.4486 -86.5364 -201.633 -121.37 -172.758 -66.9369 PRESSAVG: 1825800 -19.2598 -3.62948 32.2337 -3.62949 68.5119 29.8392 32.2337 29.8391 -42.6099 GPRESSAVG: 1825800 -18.0717 -3.54627 34.6208 -2.64546 68.3653 30.9385 31.1428 28.9349 -44.0272 TIMING: 1825800 CPU: 5300.28, 0.00288337/step Wall: 5300.28, 0.00288337/step, 2.54233 hours remaining, 206.121094 MB of memory in use. ENERGY: 1825800 725.8711 2104.5827 1982.9349 115.1132 -206490.4419 17780.1900 0.0000 0.0000 33973.2282 -149808.5218 296.6967 -183781.7500 -149713.0469 297.6278 -113.6631 -78.9547 557002.2640 2.2141 2.0888 PRESSURE: 1826000 -216.6 18.1665 191.138 18.166 -97.2925 116.931 191.138 116.933 -172.187 GPRESSURE: 1826000 -198.31 60.2896 151.946 50.6279 -39.4459 99.9629 119.955 176.124 -144.543 PRESSAVG: 1826000 53.9716 5.36573 21.8708 5.36573 8.25517 4.54246 21.8707 4.54243 -59.094 GPRESSAVG: 1826000 51.7695 5.32408 21.5551 7.08357 8.41138 5.13832 21.291 5.21085 -56.831 TIMING: 1826000 CPU: 5300.86, 0.00290344/step Wall: 5300.86, 0.00290344/step, 2.55987 hours remaining, 206.121094 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: 1826000 793.0429 2108.4677 1967.2841 112.5210 -206540.7259 17849.3080 0.0000 0.0000 34015.7086 -149694.3936 297.0676 -183710.1022 -149598.5741 297.8659 -162.0266 -127.4329 557993.0880 1.0442 1.1166 PRESSURE: 1826200 160.329 -6.14485 21.4974 -6.14628 20.0731 -47.1735 21.4967 -47.1706 -76.8884 GPRESSURE: 1826200 138.441 -16.8603 1.14016 48.9531 29.6083 98.8942 31.8586 -56.6093 36.951 PRESSAVG: 1826200 56.846 -66.905 30.2953 -66.9051 -26.7142 20.4486 30.2953 20.4486 -49.29 GPRESSAVG: 1826200 57.635 -66.5913 31.4341 -67.5067 -26.0032 20.0909 29.7757 21.6845 -49.7852 TIMING: 1826200 CPU: 5301.44, 0.00288881/step Wall: 5301.44, 0.00288881/step, 2.5468 hours remaining, 206.121094 MB of memory in use. ENERGY: 1826200 762.7937 2039.6402 1963.2492 117.5547 -206714.0800 18091.2472 0.0000 0.0000 34130.5635 -149609.0314 298.0707 -183739.5949 -149508.6330 298.6934 34.5045 68.3335 558312.2212 -6.3861 -6.0511 PRESSURE: 1826400 165.737 -6.07051 101.615 -6.06964 103.313 166.783 101.615 166.784 209.688 GPRESSURE: 1826400 164.047 -43.1625 86.2819 110.631 78.546 142.687 141.008 168.082 339.361 PRESSAVG: 1826400 -6.62191 -97.9649 -4.45574 -97.9648 -11.4073 -25.478 -4.45566 -25.478 10.0695 GPRESSAVG: 1826400 -6.85775 -98.4075 -4.76564 -97.6156 -11.3176 -25.4166 -4.0225 -27.4603 9.97689 TIMING: 1826400 CPU: 5302.02, 0.00288034/step Wall: 5302.02, 0.00288034/step, 2.53918 hours remaining, 206.121094 MB of memory in use. ENERGY: 1826400 747.1047 2074.1045 2003.0719 120.1279 -206543.9093 18075.0081 0.0000 0.0000 34112.5204 -149411.9718 297.9131 -183524.4922 -149314.2476 298.0146 159.5794 193.9847 558434.2666 -2.6532 -2.7328 PRESSURE: 1826600 -36.6344 17.6784 149.358 17.6782 177.161 -13.2975 149.357 -13.2982 95.9956 GPRESSURE: 1826600 11.4653 27.4346 143.474 -51.7888 173.172 -111.541 144.147 58.3144 139.551 PRESSAVG: 1826600 9.0918 9.58166 35.3804 9.5817 2.7869 -13.6651 35.3804 -13.6651 -27.5659 GPRESSAVG: 1826600 9.70593 10.7172 33.1815 8.76664 2.38963 -15.0591 38.1469 -12.0014 -28.0495 TIMING: 1826600 CPU: 5302.59, 0.00288039/step Wall: 5302.59, 0.00288039/step, 2.53906 hours remaining, 206.121094 MB of memory in use. ENERGY: 1826600 736.8496 2061.0191 1962.0555 123.3714 -206984.9608 18168.3660 0.0000 0.0000 34214.0851 -149719.2141 298.8001 -183933.2992 -149622.5409 298.0257 78.8407 108.0630 558344.1695 -5.2291 -5.3180 PRESSURE: 1826800 138.936 -32.7202 35.8186 -32.7202 79.873 -97.6027 35.8181 -97.6017 -116.251 GPRESSURE: 1826800 130.697 -30.6457 -39.8642 -27.1069 130.305 -148.387 54.4351 -29.9947 -63.8766 PRESSAVG: 1826800 -14.9679 36.209 64.1482 36.2089 -65.2673 28.9098 64.1481 28.9098 34.9612 GPRESSAVG: 1826800 -15.3401 35.2114 65.7165 35.1997 -64.8365 28.1384 63.0388 30.9175 35.3785 TIMING: 1826800 CPU: 5303.17, 0.00289161/step Wall: 5303.17, 0.00289161/step, 2.54879 hours remaining, 206.187500 MB of memory in use. ENERGY: 1826800 762.2521 2095.1302 1970.2089 114.4363 -206768.2223 17964.0557 0.0000 0.0000 34130.4579 -149731.6812 298.0698 -183862.1391 -149641.2368 298.0040 34.1857 65.7085 556889.7763 -15.0914 -14.9327 PRESSURE: 1827000 -188.864 96.3262 -112.208 96.3261 -501.715 -221.154 -112.209 -221.153 -34.1878 GPRESSURE: 1827000 -116.773 204.586 -159.01 86.6739 -473.392 -269.443 -81.2703 -136.926 -56.6424 PRESSAVG: 1827000 -19.6697 30.6614 9.12119 30.6615 -35.0078 -38.4021 9.12112 -38.4021 32.6145 GPRESSAVG: 1827000 -19.19 29.4955 8.38071 32.0519 -35.0498 -36.9628 6.71063 -41.6583 31.859 TIMING: 1827000 CPU: 5303.75, 0.0028845/step Wall: 5303.75, 0.0028845/step, 2.54236 hours remaining, 206.187500 MB of memory in use. ENERGY: 1827000 757.4899 2104.8390 1962.0180 113.5044 -206354.2009 17581.6076 0.0000 0.0000 34079.3858 -149755.3561 297.6238 -183834.7419 -149667.9344 297.7576 -241.5887 -215.6027 557150.7058 -7.3544 -7.4603 PRESSURE: 1827200 -80.2036 -9.45822 -24.6897 -9.4581 -449.116 -116.212 -24.6896 -116.211 -60.6302 GPRESSURE: 1827200 -83.0391 -52.4858 15.523 -36.9031 -418.048 -20.6557 -107.957 -154.482 14.7214 PRESSAVG: 1827200 56.8357 -26.9907 -1.21574 -26.9907 -83.2882 5.55618 -1.21586 5.55621 60.1261 GPRESSAVG: 1827200 57.0673 -27.5462 0.448658 -25.7668 -82.5123 5.22056 0.486123 8.16016 59.5171 TIMING: 1827200 CPU: 5304.32, 0.00287395/step Wall: 5304.32, 0.00287395/step, 2.53291 hours remaining, 206.187500 MB of memory in use. ENERGY: 1827200 758.3041 2109.5175 1979.5174 129.8764 -206439.3453 17764.0761 0.0000 0.0000 34054.7764 -149643.2774 297.4088 -183698.0538 -149553.1652 298.3628 -196.6498 -162.1218 557973.9338 11.2245 11.3574 PRESSURE: 1827400 -25.1897 30.6482 -150.447 30.6489 -121.584 -56.1626 -150.449 -56.1643 186.077 GPRESSURE: 1827400 -49.9994 73.1825 -187.843 96.0341 -39.7234 -31.8463 -172.417 -39.3457 214.361 PRESSAVG: 1827400 91.6042 13.2911 -50.1054 13.2911 -43.6811 -26.2723 -50.1054 -26.2723 -48.9138 GPRESSAVG: 1827400 91.3584 16.8494 -51.4732 12.0308 -44.4441 -25.4234 -47.8856 -28.1528 -47.6343 TIMING: 1827400 CPU: 5304.9, 0.00288846/step Wall: 5304.9, 0.00288846/step, 2.54554 hours remaining, 206.187500 MB of memory in use. ENERGY: 1827400 773.7741 2099.4119 1959.1351 130.5357 -206441.2619 17750.6244 0.0000 0.0000 34374.6787 -149353.1021 300.2026 -183727.7807 -149251.4219 298.8007 13.1009 41.5462 555775.0862 -0.3302 -0.2400 PRESSURE: 1827600 47.3668 47.8322 -1.69056 47.8322 109.557 -46.8048 -1.6899 -46.8071 172.086 GPRESSURE: 1827600 120.827 -24.0692 -28.1713 48.8337 65.5701 -22.935 1.22476 -65.4328 259.327 PRESSAVG: 1827600 11.6383 41.7828 -19.6088 41.7828 -51.4267 -25.6344 -19.6088 -25.6345 13.7672 GPRESSAVG: 1827600 12.7574 40.1849 -20.9051 40.8059 -52.4436 -27.325 -21.1085 -24.4129 13.5754 TIMING: 1827600 CPU: 5305.48, 0.00288644/step Wall: 5305.48, 0.00288644/step, 2.54359 hours remaining, 206.187500 MB of memory in use. ENERGY: 1827600 764.4348 2078.3386 1966.8374 125.2765 -206676.7349 18278.8378 0.0000 0.0000 34142.4713 -149320.5385 298.1747 -183463.0098 -149220.8503 299.5297 109.6699 148.5746 556697.5402 -8.6737 -8.7036 PRESSURE: 1827800 85.3358 -13.2209 70.8025 -13.2204 20.8123 96.8369 70.8039 96.8369 -113.382 GPRESSURE: 1827800 143.423 -51.9611 73.5462 -9.77151 60.2149 40.9967 56.6222 111.893 -116.831 PRESSAVG: 1827800 27.1701 18.0285 30.4624 18.0285 -11.8471 -12.888 30.4625 -12.8881 11.5157 GPRESSAVG: 1827800 25.4489 17.9558 31.5214 18.9461 -11.6432 -11.4165 30.7663 -15.8154 12.5479 TIMING: 1827800 CPU: 5306.06, 0.00289451/step Wall: 5306.06, 0.00289451/step, 2.55054 hours remaining, 206.187500 MB of memory in use. ENERGY: 1827800 766.6227 2090.9197 1956.5773 123.7428 -206624.2676 18076.3176 0.0000 0.0000 34332.7421 -149277.3454 299.8364 -183610.0875 -149180.7620 299.0871 -2.4112 28.9356 558102.0170 8.9462 8.7845 PRESSURE: 1828000 -145.348 -30.3059 84.7365 -30.3052 -98.4526 74.4099 84.7371 74.4106 353.341 GPRESSURE: 1828000 -99.7317 -5.89242 186.458 -25.7495 -19.2655 -79.6458 -2.19607 163.544 327.693 PRESSAVG: 1828000 8.7261 -2.5146 17.931 -2.51457 -43.4329 -27.0356 17.9309 -27.0355 8.41249 GPRESSAVG: 1828000 9.58498 -2.40743 17.0214 -1.14739 -43.0683 -27.4609 18.0416 -25.2991 7.37466 TIMING: 1828000 CPU: 5306.64, 0.00291433/step Wall: 5306.64, 0.00291433/step, 2.56785 hours remaining, 206.187500 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: 1828000 772.3280 2056.0159 1968.9515 112.5185 -206111.4470 17957.1277 0.0000 0.0000 34119.7645 -149124.7408 297.9764 -183244.5053 -149033.7928 299.6432 36.5137 69.5652 559733.1818 -8.7648 -8.7029 PRESSURE: 1828200 62.3292 -19.0131 63.0959 -19.0144 206.024 -49.0722 63.095 -49.0727 -213.503 GPRESSURE: 1828200 114.358 -8.79993 130.614 57.8248 235.806 -54.9267 -7.53729 -72.9792 -195.572 PRESSAVG: 1828200 59.1335 30.0359 11.6161 30.0359 5.48612 1.18967 11.6161 1.18962 -58.9369 GPRESSAVG: 1828200 59.1444 29.4278 14.6434 29.8729 5.36352 0.940475 9.78664 1.61866 -58.7293 TIMING: 1828200 CPU: 5307.22, 0.00287825/step Wall: 5307.22, 0.00287825/step, 2.53589 hours remaining, 206.187500 MB of memory in use. ENERGY: 1828200 778.2439 2121.2802 1967.3854 109.6309 -206390.4616 18097.0926 0.0000 0.0000 34187.9038 -149128.9247 298.5715 -183316.8285 -149041.4050 299.1228 18.2835 51.5307 557660.7458 1.8942 1.9262 LDB: ============= START OF LOAD BALANCING ============== 5310.68 LDB: ============== END OF LOAD BALANCING =============== 5310.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5310.68 LDB: ============= START OF LOAD BALANCING ============== 5310.97 LDB: Largest compute 4821 load 0.029068 is 24.7% of average load 0.117746 LDB: Average compute 0.001721 is 1.5% of average load 0.117746 LDB: TIME 5310.97 LOAD: AVG 0.117746 MAX 0.179524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 5310.97 LOAD: AVG 0.117746 MAX 0.179524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: TIME 5310.97 LOAD: AVG 0.117746 MAX 0.179524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: ============== END OF LOAD BALANCING =============== 5310.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5310.98 PRESSURE: 1828400 -197.811 -44.8115 153.216 -44.8116 271.465 63.3346 153.216 63.3359 208.042 GPRESSURE: 1828400 -109.344 -19.9666 146.987 -54.1295 307.631 140.085 250.718 9.91797 181.094 PRESSAVG: 1828400 8.68438 -15.9672 6.28772 -15.9672 22.6651 -13.212 6.28777 -13.2119 -8.29346 GPRESSAVG: 1828400 7.68977 -14.6987 5.32574 -15.0939 24.8543 -12.2057 6.84822 -16.7445 -9.12342 TIMING: 1828400 CPU: 5307.8, 0.00294113/step Wall: 5307.8, 0.00294113/step, 2.59114 hours remaining, 206.703125 MB of memory in use. ENERGY: 1828400 713.3182 2079.4241 1967.9643 105.7397 -206394.7308 18123.2635 0.0000 0.0000 34070.7472 -149334.2738 297.5483 -183405.0210 -149239.8838 298.7739 93.8990 126.4604 558766.2606 7.6853 7.8069 PRESSURE: 1828600 77.6334 -80.3167 -24.7325 -80.316 99.999 79.645 -24.7332 79.6458 -23.3746 GPRESSURE: 1828600 125.229 -5.53882 -2.02169 -67.8844 54.1624 101.454 -116.64 -29.4868 58.5299 PRESSAVG: 1828600 16.4392 -6.6295 -42.7833 -6.62956 -30.7477 -7.52662 -42.7833 -7.52672 -14.0928 GPRESSAVG: 1828600 17.9542 -6.87466 -42.7314 -7.89966 -33.287 -8.4371 -41.1708 -4.01456 -13.3763 TIMING: 1828600 CPU: 5308.38, 0.00289282/step Wall: 5308.38, 0.00289282/step, 2.54841 hours remaining, 206.984375 MB of memory in use. ENERGY: 1828600 732.4663 2097.2956 1946.5886 113.8804 -206267.1346 17948.5354 0.0000 0.0000 34154.8010 -149273.5672 298.2824 -183428.3683 -149177.0758 298.4564 51.4193 79.3071 558878.5219 -9.4671 -9.5697 PRESSURE: 1828800 -91.1706 151.619 149.178 151.618 119.751 -106.001 149.177 -106 416.125 GPRESSURE: 1828800 -8.84125 148.945 201.361 111.949 145.655 -97.6407 127.544 -89.8983 413.117 PRESSAVG: 1828800 5.93071 -22.4492 -19.4828 -22.4492 -17.4065 -7.00885 -19.4828 -7.00887 29.2505 GPRESSAVG: 1828800 6.24282 -22.8206 -18.6819 -23.1604 -15.8899 -6.95572 -23.5648 -9.10088 27.9336 TIMING: 1828800 CPU: 5308.96, 0.00287385/step Wall: 5308.96, 0.00287385/step, 2.53155 hours remaining, 206.984375 MB of memory in use. ENERGY: 1828800 697.6471 2145.0437 1978.1533 120.6172 -206325.6865 17952.0425 0.0000 0.0000 34304.3226 -149127.8600 299.5882 -183432.1826 -149032.2801 299.3556 148.2351 183.3102 557264.1652 5.9249 6.0955 PRESSURE: 1829000 73.0822 -131.162 -48.325 -131.163 -67.5459 108.387 -48.3262 108.386 48.0513 GPRESSURE: 1829000 117.03 -137.375 -29.8545 -144.291 -24.3784 82.9956 -65.8279 156.889 64.7588 PRESSAVG: 1829000 -17.249 46.6599 44.0192 46.66 -60.5228 15.8435 44.0193 15.8436 39.7903 GPRESSAVG: 1829000 -17.1545 47.9806 43.8216 46.5784 -60.4045 16.7883 45.6482 16.4772 39.7032 TIMING: 1829000 CPU: 5309.53, 0.002876/step Wall: 5309.53, 0.002876/step, 2.53327 hours remaining, 206.984375 MB of memory in use. ENERGY: 1829000 755.0637 2169.5294 1943.3383 110.7118 -205940.5444 17757.0336 0.0000 0.0000 34197.3549 -149007.5128 298.6540 -183204.8677 -148913.1821 299.8467 17.8625 52.4701 558197.1475 -12.6605 -12.6186 PRESSURE: 1829200 7.45548 50.4971 91.775 50.4981 11.7599 5.02535 91.773 5.02397 -97.0384 GPRESSURE: 1829200 52.9933 127.441 -48.6171 84.1814 28.9962 -50.2654 83.5674 -4.32109 -62.3633 PRESSAVG: 1829200 33.4326 51.6484 9.52606 51.6484 -52.5669 -24.6624 9.52597 -24.6624 13.9338 GPRESSAVG: 1829200 33.698 49.6845 9.13621 54.7174 -52.7222 -25.2614 10.0232 -25.017 14.2142 TIMING: 1829200 CPU: 5310.11, 0.00288417/step Wall: 5310.11, 0.00288417/step, 2.54031 hours remaining, 206.984375 MB of memory in use. ENERGY: 1829200 714.0798 2058.3836 2006.9841 116.8041 -205839.7951 17712.1587 0.0000 0.0000 34078.5108 -149152.8739 297.6161 -183231.3847 -149051.5722 299.7773 -25.9410 6.5421 559328.1816 -1.7335 -1.6033 PRESSURE: 1829400 46.9107 -13.3087 34.6588 -13.3093 -44.5734 9.80632 34.6573 9.80607 306.786 GPRESSURE: 1829400 62.2217 -66.8538 37.4098 78.1228 -43.4961 7.34818 86.7461 21.3738 378.722 PRESSAVG: 1829400 23.6804 -17.5254 -61.5613 -17.5254 -25.3155 -40.572 -61.5612 -40.572 -24.0888 GPRESSAVG: 1829400 22.4463 -16.5518 -59.9383 -20.0472 -24.5881 -41.2744 -59.5867 -39.6093 -23.8288 TIMING: 1829400 CPU: 5310.69, 0.00289006/step Wall: 5310.69, 0.00289006/step, 2.54534 hours remaining, 207.187500 MB of memory in use. ENERGY: 1829400 757.8224 2080.4433 1971.1760 123.3053 -206619.0162 18237.4526 0.0000 0.0000 34140.0089 -149308.8077 298.1532 -183448.8166 -149206.2389 298.8329 103.0411 132.4825 559059.6835 -8.5746 -8.6569 PRESSURE: 1829600 160.411 -93.6353 137.504 -93.6357 -187.222 -51.182 137.504 -51.1812 146.706 GPRESSURE: 1829600 177.73 -33.6322 124.575 -115.933 -122.209 2.35032 156.924 -34.1297 166.675 PRESSAVG: 1829600 25.053 10.2978 -6.12706 10.2978 4.62635 -12.9228 -6.12706 -12.9227 41.0863 GPRESSAVG: 1829600 25.4032 10.1376 -7.68522 10.1645 3.96743 -13.7947 -7.3776 -14.1043 41.012 TIMING: 1829600 CPU: 5311.26, 0.00287876/step Wall: 5311.26, 0.00287876/step, 2.53523 hours remaining, 207.187500 MB of memory in use. ENERGY: 1829600 719.0166 2087.5315 1966.5635 112.3376 -206455.6372 17937.9045 0.0000 0.0000 34330.7021 -149301.5814 299.8186 -183632.2835 -149208.3824 298.9829 39.9650 74.0653 556977.9243 23.5886 23.4609 PRESSURE: 1829800 -226.448 -18.2587 -131.64 -18.2592 165.429 124.021 -131.642 124.022 197.682 GPRESSURE: 1829800 -171.689 -94.4232 -136.253 33.5015 160.988 91.9242 -68.587 66.0982 242.813 PRESSAVG: 1829800 -9.12254 -18.8674 -6.89769 -18.8673 31.3467 3.49941 -6.89769 3.49958 7.68666 GPRESSAVG: 1829800 -8.7683 -18.8139 -7.29905 -19.245 31.262 6.98591 -8.15238 1.39778 6.96 TIMING: 1829800 CPU: 5311.84, 0.00287098/step Wall: 5311.84, 0.00287098/step, 2.52822 hours remaining, 207.187500 MB of memory in use. ENERGY: 1829800 739.1933 2108.7102 1981.9363 103.4794 -206385.7406 17909.6505 0.0000 0.0000 34279.0852 -149263.6856 299.3678 -183542.7709 -149169.1469 299.2901 45.5541 77.3705 557639.1486 9.9703 9.8179 PRESSURE: 1830000 50.117 -41.6463 107.453 -41.6473 -85.0941 41.5949 107.454 41.595 0.716877 GPRESSURE: 1830000 96.8301 -73.004 115.453 -47.2045 -70.4375 47.2413 165.444 19.7421 32.2033 PRESSAVG: 1830000 -46.3023 -73.4269 27.5224 -73.4268 45.7165 -16.8912 27.5225 -16.8912 -49.9306 GPRESSAVG: 1830000 -46.9538 -72.5257 29.256 -73.4458 45.4471 -20.8385 28.3927 -13.4518 -48.8899 TIMING: 1830000 CPU: 5312.42, 0.00289256/step Wall: 5312.42, 0.00289256/step, 2.54706 hours remaining, 207.187500 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: 1830000 757.5415 2125.0578 1980.9701 117.8793 -206209.9987 17718.0766 0.0000 0.0000 34169.7660 -149340.7073 298.4131 -183510.4733 -149244.7456 298.5358 -11.4201 19.5320 557394.3083 -16.8388 -16.7989 PRESSURE: 1830200 -127.589 70.3297 -264.036 70.3307 199.527 -97.0639 -264.035 -97.064 -274.864 GPRESSURE: 1830200 -43.6086 44.669 -299.934 63.0168 171.231 -256.072 -266.89 33.8614 -220.914 PRESSAVG: 1830200 -34.8245 -15.2763 -36.1429 -15.2763 39.7304 10.0449 -36.1431 10.045 -9.16388 GPRESSAVG: 1830200 -35.5548 -13.5477 -37.0456 -16.2857 40.929 9.5593 -35.846 9.48689 -9.67543 TIMING: 1830200 CPU: 5313, 0.00290431/step Wall: 5313, 0.00290431/step, 2.55725 hours remaining, 207.187500 MB of memory in use. ENERGY: 1830200 728.5048 2075.2619 1990.1274 117.8538 -206268.5995 17883.7890 0.0000 0.0000 34162.1117 -149310.9509 298.3462 -183473.0627 -149210.7857 298.8019 -67.6419 -31.0971 557800.7949 -1.4193 -1.4337 PRESSURE: 1830400 -14.5144 -26.6892 13.0038 -26.6908 -58.782 -95.4546 13.0048 -95.4554 -135.165 GPRESSURE: 1830400 57.9998 -10.5923 6.773 21.7562 -14.1267 -112.643 93.2046 -50.1696 -150.895 PRESSAVG: 1830400 26.5532 24.0278 -6.8326 24.0278 23.5571 8.21976 -6.83255 8.21983 -46.085 GPRESSAVG: 1830400 27.0282 20.4268 -5.55759 27.289 24.3844 9.29331 -7.68813 8.02089 -47.127 TIMING: 1830400 CPU: 5313.57, 0.0028899/step Wall: 5313.57, 0.0028899/step, 2.5444 hours remaining, 207.187500 MB of memory in use. ENERGY: 1830400 784.5952 2072.6788 1959.0669 120.4378 -206312.6484 17920.8994 0.0000 0.0000 34233.4948 -149221.4754 298.9696 -183454.9701 -149120.3505 298.6979 -69.4872 -35.6739 558545.8554 1.3417 1.4285 PRESSURE: 1830600 10.7933 4.66832 -101.652 4.66868 18.7487 56.7262 -101.651 56.7259 -15.1545 GPRESSURE: 1830600 27.0273 -14.8969 -91.0846 38.2681 63.0494 41.4524 -129.802 100.884 20.6623 PRESSAVG: 1830600 1.91203 4.80185 -18.1734 4.80185 8.25549 0.761266 -18.1734 0.761135 -51.1701 GPRESSAVG: 1830600 2.49596 6.29375 -19.071 2.86022 6.51523 0.0847425 -18.4691 1.00002 -50.4136 TIMING: 1830600 CPU: 5314.15, 0.00288025/step Wall: 5314.15, 0.00288025/step, 2.53574 hours remaining, 207.187500 MB of memory in use. ENERGY: 1830600 740.5948 2153.8251 1968.0031 111.6588 -206139.2306 17789.0989 0.0000 0.0000 34269.9110 -149106.1390 299.2877 -183376.0501 -149007.2761 299.3927 4.7958 36.9130 558078.0205 -13.6675 -13.8008 PRESSURE: 1830800 -163.05 60.3795 88.2918 60.3792 -209.32 -5.66626 88.2928 -5.66676 -114.376 GPRESSURE: 1830800 -109.023 -15.9679 46.3547 13.1632 -169.995 -50.8765 113.363 -62.0828 -106.051 PRESSAVG: 1830800 -12.7126 46.6426 7.1737 46.6426 16.486 30.515 7.17371 30.515 -15.4048 GPRESSAVG: 1830800 -11.8918 44.498 8.19316 48.0483 16.6754 32.5905 7.81439 30.2148 -16.3234 TIMING: 1830800 CPU: 5314.72, 0.00287193/step Wall: 5314.72, 0.00287193/step, 2.52825 hours remaining, 207.187500 MB of memory in use. ENERGY: 1830800 707.1605 2097.6778 1961.5666 119.0757 -205651.2424 17417.8946 0.0000 0.0000 34283.7555 -149064.1117 299.4086 -183347.8672 -148968.2154 299.4142 -162.2486 -128.3564 559373.5590 -3.8772 -3.8466 PRESSURE: 1831000 -241.485 6.71389 -43.6783 6.71286 139.769 37.1876 -43.6783 37.1871 -228.365 GPRESSURE: 1831000 -261.828 13.159 -4.46317 8.17152 111.799 13.983 -29.975 9.48331 -85.7967 PRESSAVG: 1831000 -1.08615 -21.8752 -3.94442 -21.8752 59.8954 -8.71385 -3.94437 -8.71385 -46.5409 GPRESSAVG: 1831000 -2.45647 -20.8573 -5.65477 -21.3717 59.8714 -9.85799 -3.87184 -8.80827 -45.3372 TIMING: 1831000 CPU: 5315.3, 0.00288193/step Wall: 5315.3, 0.00288193/step, 2.5369 hours remaining, 207.187500 MB of memory in use. ENERGY: 1831000 755.6943 2155.7016 1929.4870 121.3183 -206194.2712 17802.2328 0.0000 0.0000 34140.5177 -149289.3196 298.1576 -183429.8372 -149193.5909 299.0989 -110.0272 -78.6085 556909.7671 4.0895 4.0259 PRESSURE: 1831200 -87.358 48.7021 77.5458 48.7026 -176.946 56.4522 77.5463 56.4548 -192.711 GPRESSURE: 1831200 -42.6109 83.9713 110.939 18.6933 -185.786 96.0966 26.7255 5.69553 -127.454 PRESSAVG: 1831200 -52.2596 43.3287 15.3426 43.3288 37.8016 1.12164 15.3426 1.12165 29.6421 GPRESSAVG: 1831200 -52.6065 44.3784 16.0102 42.7508 37.8947 1.64811 15.0774 1.65366 29.6191 TIMING: 1831200 CPU: 5315.88, 0.00290959/step Wall: 5315.88, 0.00290959/step, 2.56109 hours remaining, 207.187500 MB of memory in use. ENERGY: 1831200 730.7892 2108.0936 1946.9323 119.6107 -205842.6525 17505.5033 0.0000 0.0000 34184.9423 -149246.7813 298.5456 -183431.7236 -149149.2471 299.0658 -152.3384 -118.6172 557301.9223 5.0614 4.9691 PRESSURE: 1831400 277.423 18.6479 18.8049 18.6492 -80.8925 -65.3179 18.8044 -65.3189 79.7501 GPRESSURE: 1831400 274.66 -29.5657 29.4185 23.3592 -40.2076 -36.2581 15.6666 -55.4467 143.547 PRESSAVG: 1831400 7.90555 -8.53868 -11.9482 -8.53866 -17.1972 2.33092 -11.9482 2.33097 -10.1137 GPRESSAVG: 1831400 8.69341 -7.92823 -11.8237 -8.42014 -17.2027 2.81753 -10.7554 1.09896 -10.8475 TIMING: 1831400 CPU: 5316.47, 0.00291531/step Wall: 5316.47, 0.00291531/step, 2.56596 hours remaining, 207.187500 MB of memory in use. ENERGY: 1831400 713.4895 2055.6749 1955.7700 104.2307 -206197.1026 18089.7518 0.0000 0.0000 34095.0800 -149183.1058 297.7608 -183278.1858 -149086.7185 298.3989 92.0936 125.9998 558512.1023 -6.4684 -6.4522 PRESSURE: 1831600 20.8335 113.664 0.389669 113.664 59.39 55.9017 0.388929 55.9021 106.663 GPRESSURE: 1831600 31.4377 121.076 -5.10138 101.579 115.894 83.9785 -136.669 26.9091 133.461 PRESSAVG: 1831600 32.2361 23.8859 7.60313 23.8859 -34.8525 15.3427 7.60315 15.3425 -6.54218 GPRESSAVG: 1831600 33.2623 22.6593 6.67033 24.1409 -33.8343 13.6877 6.21354 15.0251 -7.97555 TIMING: 1831600 CPU: 5317.05, 0.00291359/step Wall: 5317.05, 0.00291359/step, 2.56428 hours remaining, 207.187500 MB of memory in use. ENERGY: 1831600 749.5952 2094.9767 1972.6110 116.0681 -206244.9145 17929.2261 0.0000 0.0000 34301.8851 -149080.5523 299.5669 -183382.4374 -148980.5294 299.3234 62.2956 93.5976 557351.3084 -3.0528 -2.8492 PRESSURE: 1831800 13.263 -76.2721 -172.798 -76.272 -0.462588 -41.2046 -172.8 -41.2037 -100.559 GPRESSURE: 1831800 38.3039 -8.63089 -157.648 -151.899 1.12524 -61.4223 -153.882 5.05529 -18.2257 PRESSAVG: 1831800 36.9693 23.4211 -49.1349 23.4212 -55.2716 -6.86757 -49.1349 -6.86753 31.9489 GPRESSAVG: 1831800 34.9857 22.0215 -48.5703 22.5195 -56.0833 -4.94335 -49.2524 -6.08112 34.5292 TIMING: 1831800 CPU: 5317.62, 0.00287453/step Wall: 5317.62, 0.00287453/step, 2.52974 hours remaining, 207.187500 MB of memory in use. ENERGY: 1831800 702.1602 2155.7611 1993.0352 124.8559 -206196.8945 17800.5104 0.0000 0.0000 34268.5642 -149152.0074 299.2759 -183420.5716 -149047.4194 299.4071 -29.2528 7.0678 557589.0063 4.5488 4.4772 PRESSURE: 1832000 221.231 28.8971 -47.6845 28.8971 -172.297 279.749 -47.6846 279.748 -280.292 GPRESSURE: 1832000 285.947 23.3985 -3.83226 -4.68283 -143.276 192.929 -135.854 276.684 -279.547 PRESSAVG: 1832000 57.6484 8.971 -52.6048 8.97103 -2.33389 76.1623 -52.6048 76.1623 -49.1847 GPRESSAVG: 1832000 58.5253 10.1138 -53.3962 8.11564 -1.96925 74.1551 -52.8626 76.6728 -50.2678 TIMING: 1832000 CPU: 5318.2, 0.00290424/step Wall: 5318.2, 0.00290424/step, 2.55573 hours remaining, 207.187500 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: 1832000 760.0374 2118.5847 1950.0670 113.1462 -205786.2459 17663.6626 0.0000 0.0000 34119.4986 -149061.2492 297.9741 -183180.7479 -148973.7031 299.2147 -77.1195 -45.6253 558254.9885 2.0433 2.0961 PRESSURE: 1832200 135.838 61.279 -151.202 61.2786 108.429 185.233 -151.203 185.234 1.94194 GPRESSURE: 1832200 136.605 62.2621 -160.058 -15.3808 166.5 212.233 -98.023 150.247 40.7189 PRESSAVG: 1832200 21.1046 23.0592 -28.0454 23.0592 -17.6488 59.3162 -28.0454 59.3161 27.799 GPRESSAVG: 1832200 21.4455 25.7126 -27.4052 22.0967 -18.6751 61.1497 -27.5586 58.6067 28.6077 TIMING: 1832200 CPU: 5318.78, 0.00289653/step Wall: 5318.78, 0.00289653/step, 2.54879 hours remaining, 207.187500 MB of memory in use. ENERGY: 1832200 758.5413 2094.7403 1950.6999 113.0841 -206213.7198 17820.0773 0.0000 0.0000 34563.9064 -148912.6706 301.8552 -183476.5770 -148812.4922 299.9180 82.0694 114.6082 557834.7963 10.4183 10.4594 LDB: ============= START OF LOAD BALANCING ============== 5322.25 LDB: ============== END OF LOAD BALANCING =============== 5322.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5322.25 LDB: ============= START OF LOAD BALANCING ============== 5322.54 LDB: Largest compute 4820 load 0.029992 is 25.5% of average load 0.117780 LDB: Average compute 0.001715 is 1.5% of average load 0.117780 LDB: TIME 5322.54 LOAD: AVG 0.11778 MAX 0.177685 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.527 MB LDB: TIME 5322.54 LOAD: AVG 0.11778 MAX 0.177685 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: TIME 5322.54 LOAD: AVG 0.11778 MAX 0.177685 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.73 MB LDB: ============== END OF LOAD BALANCING =============== 5322.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5322.55 PRESSURE: 1832400 -62.2088 -84.3692 2.46868 -84.3718 -224.629 -236.563 2.46852 -236.563 -106.899 GPRESSURE: 1832400 -105.858 -115.234 -57.0676 -158.38 -142.727 -135.797 -23.7716 -307.721 -46.5902 PRESSAVG: 1832400 -4.80308 52.0312 -34.1273 52.0312 -40.6852 25.7729 -34.1273 25.7728 22.4026 GPRESSAVG: 1832400 -5.68799 49.4162 -32.7668 54.0782 -39.6514 24.9172 -35.3594 25.8822 22.1629 TIMING: 1832400 CPU: 5319.37, 0.00294769/step Wall: 5319.37, 0.00294769/step, 2.59364 hours remaining, 205.835938 MB of memory in use. ENERGY: 1832400 775.9025 2157.0982 1956.0052 111.1948 -205927.7557 17645.6214 0.0000 0.0000 34508.5758 -148773.3578 301.3720 -183281.9336 -148671.6134 301.0247 -131.2457 -98.3917 558612.8017 -7.6952 -7.7255 PRESSURE: 1832600 2.9819 123.507 27.1009 123.507 205.069 -44.3366 27.1009 -44.3367 -41.6476 GPRESSURE: 1832600 57.4066 66.3643 27.0893 56.1582 237.961 -30.3915 16.0336 -30.2499 -33.0122 PRESSAVG: 1832600 -88.3491 7.84489 -10.9487 7.84483 61.2268 -7.51282 -10.9488 -7.51284 38.7159 GPRESSAVG: 1832600 -87.048 6.10072 -12.431 7.49299 61.0128 -6.91361 -9.82826 -8.09685 37.7693 TIMING: 1832600 CPU: 5319.96, 0.00292441/step Wall: 5319.96, 0.00292441/step, 2.573 hours remaining, 206.039062 MB of memory in use. ENERGY: 1832600 759.8372 2142.8783 1939.0631 106.6529 -206109.9439 17960.5423 0.0000 0.0000 34475.5689 -148725.4013 301.0837 -183200.9702 -148624.9721 299.7677 55.4676 87.4519 558828.5836 3.8645 3.9114 PRESSURE: 1832800 -152.279 -106.767 12.4841 -106.766 41.9173 -0.857612 12.484 -0.856814 -157.308 GPRESSURE: 1832800 -124.883 -175.239 2.065 -87.3463 88.5617 27.3435 2.40165 -22.54 -139.244 PRESSAVG: 1832800 -40.8985 -5.73065 6.04467 -5.73064 25.6341 -6.51088 6.0446 -6.51088 -18.0658 GPRESSAVG: 1832800 -42.1359 -2.22825 5.78607 -5.10148 26.0867 -7.3814 3.30562 -4.54416 -17.044 TIMING: 1832800 CPU: 5320.54, 0.00290003/step Wall: 5320.54, 0.00290003/step, 2.55138 hours remaining, 206.039062 MB of memory in use. ENERGY: 1832800 720.8229 2109.7560 1966.1386 121.8778 -205648.6212 17635.4233 0.0000 0.0000 34324.9214 -148769.6812 299.7681 -183094.6026 -148683.3950 300.4024 -89.2231 -58.5218 558892.8451 -11.1100 -11.0311 PRESSURE: 1833000 -209.753 -11.8019 -80.1452 -11.8017 -193.837 41.824 -80.1441 41.822 -192.817 GPRESSURE: 1833000 -148.406 21.4817 -64.3212 38.7271 -192.752 23.4733 -55.6154 27.8142 -152.084 PRESSAVG: 1833000 -61.9103 -7.50193 -26.2982 -7.50179 20.865 22.8628 -26.2982 22.8628 14.6994 GPRESSAVG: 1833000 -61.5739 -8.92805 -24.2366 -8.14119 20.0807 24.9648 -24.6604 20.872 14.8962 TIMING: 1833000 CPU: 5321.12, 0.00288556/step Wall: 5321.12, 0.00288556/step, 2.53849 hours remaining, 206.039062 MB of memory in use. ENERGY: 1833000 772.3313 2051.7372 1970.2576 106.4561 -205845.0930 17638.8447 0.0000 0.0000 34422.5406 -148882.9255 300.6206 -183305.4661 -148784.5251 299.8072 -198.8020 -164.4141 559199.0812 -8.7820 -8.8657 PRESSURE: 1833200 -104.776 -137.287 -9.20221 -137.286 163.256 100.71 -9.20194 100.71 41.0592 GPRESSURE: 1833200 -79.5125 -217.435 -0.359045 -151.353 176.664 135.172 -24.7931 81.4036 84.7899 PRESSAVG: 1833200 16.8346 -35.2332 -34.1556 -35.2331 26.8503 45.4408 -34.1555 45.4408 -66.4482 GPRESSAVG: 1833200 17.2015 -35.8155 -34.8332 -36.163 27.4193 44.0396 -33.4155 46.3808 -67.5763 TIMING: 1833200 CPU: 5321.69, 0.00288365/step Wall: 5321.69, 0.00288365/step, 2.53665 hours remaining, 206.039062 MB of memory in use. ENERGY: 1833200 776.7957 2079.4135 1974.6016 103.9068 -206169.6847 17728.0031 0.0000 0.0000 34450.0141 -149056.9500 300.8605 -183506.9641 -148960.6562 300.6887 33.1797 60.6470 555605.4008 -7.5878 -7.6518 PRESSURE: 1833400 234.926 29.4704 145.826 29.4722 -18.7703 4.92343 145.826 4.9246 -86.6189 GPRESSURE: 1833400 332.881 77.5488 124.338 -18.3609 -50.0312 40.4358 74.5073 15.0961 -61.166 PRESSAVG: 1833400 18.5415 0.87217 -53.3877 0.872207 79.2137 1.16122 -53.3876 1.16133 -59.9353 GPRESSAVG: 1833400 18.9371 3.91113 -55.594 0.68237 79.2217 -0.955971 -53.0487 2.13633 -59.8609 TIMING: 1833400 CPU: 5322.27, 0.00290465/step Wall: 5322.27, 0.00290465/step, 2.55496 hours remaining, 206.039062 MB of memory in use. ENERGY: 1833400 723.2663 2043.9192 1957.3527 100.9772 -206028.5540 17716.3986 0.0000 0.0000 34413.4170 -149073.2231 300.5409 -183486.6401 -148982.5214 299.3001 43.1790 73.8945 557338.8484 12.6066 12.7660 PRESSURE: 1833600 -1.42093 12.275 -17.6988 12.2751 -28.0517 -90.9013 -17.6985 -90.9004 -140.401 GPRESSURE: 1833600 5.16624 -29.8624 -13.9929 -43.9679 -20.3231 -72.9511 -18.2687 -130.068 -59.301 PRESSAVG: 1833600 -57.1847 -0.920285 36.8718 -0.920327 40.975 -22.722 36.8717 -22.7219 -42.5318 GPRESSAVG: 1833600 -56.5781 -4.28643 38.8745 -1.50376 40.834 -20.3062 34.8218 -23.0292 -43.1801 TIMING: 1833600 CPU: 5322.85, 0.00289251/step Wall: 5322.85, 0.00289251/step, 2.54412 hours remaining, 206.039062 MB of memory in use. ENERGY: 1833600 767.6096 2084.3632 1988.2357 111.9858 -205723.5771 17564.4541 0.0000 0.0000 34134.0689 -149072.8599 298.1013 -183206.9288 -148976.5719 299.4468 -56.6245 -24.8193 556999.0940 -19.5805 -19.6414 PRESSURE: 1833800 -194.883 66.1496 78.4255 66.1508 44.7623 -0.529523 78.4241 -0.530941 -250.192 GPRESSURE: 1833800 -210.347 40.2629 50.6391 51.697 116.668 17.9369 67.0927 -64.2721 -207.768 PRESSAVG: 1833800 -80.4757 -19.3306 51.6642 -19.3306 43.795 21.1024 51.6642 21.1024 22.2811 GPRESSAVG: 1833800 -82.4076 -20.0406 50.3264 -17.7406 45.5223 21.5773 54.294 19.9705 23.0028 TIMING: 1833800 CPU: 5323.43, 0.00289096/step Wall: 5323.43, 0.00289096/step, 2.5426 hours remaining, 206.039062 MB of memory in use. ENERGY: 1833800 740.8004 2070.1779 1963.4480 105.6037 -205704.8821 17570.5034 0.0000 0.0000 34100.8699 -149153.4789 297.8114 -183254.3488 -149053.6047 299.4004 -133.4376 -100.4824 557190.3728 -4.7999 -4.6275 PRESSURE: 1834000 -40.4012 45.4891 -57.622 45.4885 -77.7754 21.8148 -57.6215 21.8143 -432.678 GPRESSURE: 1834000 -44.4898 22.3543 -0.888717 71.0466 -57.8425 9.28068 -21.2424 105.581 -345.364 PRESSAVG: 1834000 -4.99456 34.3063 8.25001 34.3064 26.1659 23.7253 8.2501 23.7253 -13.8014 GPRESSAVG: 1834000 -4.67097 34.9324 9.27095 33.5714 24.7403 24.5467 8.10631 23.9986 -11.883 TIMING: 1834000 CPU: 5324.01, 0.00289073/step Wall: 5324.01, 0.00289073/step, 2.54223 hours remaining, 206.039062 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: 1834000 728.7341 2142.2219 1952.3658 101.0033 -205849.8130 17451.3388 0.0000 0.0000 34230.7879 -149243.3612 298.9460 -183474.1491 -149141.7326 298.9627 -183.6183 -149.2321 555752.1837 2.4566 2.7288 PRESSURE: 1834200 22.9424 27.9287 -27.3826 27.9289 -92.7732 22.2692 -27.3812 22.2684 -230.601 GPRESSURE: 1834200 -0.22069 40.2651 -93.6208 59.0847 -61.2188 102.903 -42.7022 26.9726 -149.814 PRESSAVG: 1834200 1.70805 25.4891 -43.3832 25.4892 40.441 -21.9301 -43.3833 -21.9301 -48.991 GPRESSAVG: 1834200 2.12113 25.2655 -41.9545 24.9915 40.5994 -24.5519 -45.5827 -21.0277 -49.2938 TIMING: 1834200 CPU: 5324.59, 0.00289687/step Wall: 5324.59, 0.00289687/step, 2.54748 hours remaining, 206.242188 MB of memory in use. ENERGY: 1834200 792.6625 2150.2812 1969.9135 118.3679 -205834.1119 17576.7592 0.0000 0.0000 34048.6676 -149177.4599 297.3555 -183226.1276 -149090.8518 298.9777 -100.1439 -70.4179 555443.0456 -2.2806 -2.1911 PRESSURE: 1834400 -185.95 -87.2221 3.77295 -87.2212 109.083 -76.7602 3.77433 -76.7594 -178.591 GPRESSURE: 1834400 -149.235 22.7614 -27.6399 -123.827 133.053 -31.4464 63.4469 -159.661 -148.132 PRESSAVG: 1834400 18.9415 5.4128 -33.2613 5.41271 46.608 24.1141 -33.2613 24.1141 -28.635 GPRESSAVG: 1834400 19.8676 5.11028 -33.5328 6.70505 46.5741 26.3243 -32.152 23.1634 -29.3471 TIMING: 1834400 CPU: 5325.16, 0.00288391/step Wall: 5325.16, 0.00288391/step, 2.53592 hours remaining, 206.242188 MB of memory in use. ENERGY: 1834400 768.7641 2081.1688 1964.0758 110.0841 -206267.4644 17864.8183 0.0000 0.0000 34396.1136 -149082.4396 300.3898 -183478.5532 -148985.1167 299.0457 -85.1526 -54.7711 558196.3628 12.3049 12.3649 PRESSURE: 1834600 -179.7 89.3387 -183.807 89.3394 -204.873 -23.2076 -183.808 -23.2096 -265.92 GPRESSURE: 1834600 -108.109 120.221 -170.649 115.72 -220.976 -67.1419 -299.454 -22.4775 -229.519 PRESSAVG: 1834600 43.9537 13.0523 -7.17209 13.0522 25.2596 -40.0177 -7.17201 -40.0177 -60.0988 GPRESSAVG: 1834600 42.7542 12.9198 -6.42711 12.894 25.7373 -41.505 -6.80064 -39.0848 -59.44 TIMING: 1834600 CPU: 5325.74, 0.00290387/step Wall: 5325.74, 0.00290387/step, 2.55331 hours remaining, 206.242188 MB of memory in use. ENERGY: 1834600 745.0268 2077.9637 1962.9127 99.8841 -205825.4059 17614.1304 0.0000 0.0000 34247.2897 -149078.1985 299.0901 -183325.4882 -148979.3032 299.2600 -216.8311 -186.2017 558956.1757 3.0382 3.0171 PRESSURE: 1834800 -186.074 -62.0335 -139.535 -62.0349 20.6079 -13.3161 -139.533 -13.3165 -34.4174 GPRESSURE: 1834800 -167.652 -25.4877 -185.904 -62.8579 40.2004 3.56271 -121.288 -41.4205 40.6511 PRESSAVG: 1834800 -36.5975 -12.5041 -26.9288 -12.5039 59.2569 -47.2078 -26.9287 -47.2077 -56.576 GPRESSAVG: 1834800 -36.229 -12.3809 -27.4141 -12.4382 58.502 -49.6719 -26.594 -46.9235 -56.3188 TIMING: 1834800 CPU: 5326.32, 0.00289511/step Wall: 5326.32, 0.00289511/step, 2.54544 hours remaining, 206.242188 MB of memory in use. ENERGY: 1834800 747.6943 2080.3446 1963.0433 107.7762 -206231.6442 17805.8752 0.0000 0.0000 34449.8890 -149077.0217 300.8594 -183526.9106 -148981.1255 299.7796 -66.6277 -28.9334 557132.2184 -11.3055 -11.3486 PRESSURE: 1835000 27.6912 50.612 -12.0066 50.6111 -116.456 -173.299 -12.0077 -173.299 -222.856 GPRESSURE: 1835000 56.3499 22.9352 -37.5312 26.0584 -91.6617 -154.831 -31.3158 -147.631 -172.206 PRESSAVG: 1835000 -4.31844 41.9321 26.0819 41.9321 74.8486 -61.1065 26.0819 -61.1066 -30.0496 GPRESSAVG: 1835000 -4.51122 42.7743 26.564 41.0461 75.3806 -58.3014 23.1392 -63.0048 -29.9372 TIMING: 1835000 CPU: 5326.9, 0.00289907/step Wall: 5326.9, 0.00289907/step, 2.54877 hours remaining, 206.242188 MB of memory in use. ENERGY: 1835000 718.0349 2068.7914 1973.3696 124.5441 -205929.5468 17703.2152 0.0000 0.0000 34259.9599 -149081.6317 299.2008 -183341.5916 -148975.2092 300.4886 -103.8735 -69.1725 558411.7688 13.4935 13.6441 PRESSURE: 1835200 -23.3028 -17.4859 -83.6636 -17.4841 -15.0035 54.0155 -83.6636 54.0146 -384.136 GPRESSURE: 1835200 10.2186 -159.783 -52.5235 62.4728 55.8666 -16.6503 -166.752 61.2326 -392.475 PRESSAVG: 1835200 -51.2025 -36.0682 -17.6206 -36.0682 -1.01408 16.2654 -17.6206 16.2653 16.1701 GPRESSAVG: 1835200 -50.0188 -36.6591 -18.7067 -34.791 -1.32511 16.2791 -13.9182 15.6675 15.3368 TIMING: 1835200 CPU: 5327.48, 0.00289506/step Wall: 5327.48, 0.00289506/step, 2.54508 hours remaining, 206.242188 MB of memory in use. ENERGY: 1835200 761.7612 2032.5852 1935.9569 115.7828 -205959.8853 17675.3262 0.0000 0.0000 34249.1143 -149189.3588 299.1060 -183438.4730 -149092.7912 299.0418 -140.8142 -108.7966 557190.2683 -12.0155 -12.0024 PRESSURE: 1835400 104.341 49.1392 5.39679 49.1397 -299.701 20.9453 5.39614 20.945 45.4545 GPRESSURE: 1835400 136.84 22.9595 -41.3497 -44.8418 -192.968 10.8597 -9.66725 70.4556 8.04516 PRESSAVG: 1835400 23.1977 6.75009 17.0833 6.75013 -36.1759 -14.418 17.0833 -14.4181 -31.7521 GPRESSAVG: 1835400 22.2252 8.17842 17.1266 4.11907 -35.974 -14.5465 14.6392 -13.8821 -30.7437 TIMING: 1835400 CPU: 5328.07, 0.00291549/step Wall: 5328.07, 0.00291549/step, 2.56288 hours remaining, 206.242188 MB of memory in use. ENERGY: 1835400 720.9183 2080.6242 1951.9486 104.6651 -205946.8979 17470.5706 0.0000 0.0000 34275.6196 -149342.5515 299.3375 -183618.1711 -149242.2550 298.4880 -49.9685 -16.0277 556849.6691 -14.9101 -14.8308 PRESSURE: 1835600 -194.648 -56.974 141.196 -56.9737 71.7728 -76.3506 141.195 -76.3512 -247.401 GPRESSURE: 1835600 -149.282 -47.4858 151.78 -48.178 58.1472 -59.7475 85.4626 -73.7135 -171.976 PRESSAVG: 1835600 74.0672 57.2009 -10.1501 57.2008 -46.5541 21.6812 -10.1501 21.6813 -10.4114 GPRESSAVG: 1835600 74.757 55.4423 -10.5228 56.3375 -46.9051 22.5017 -9.67391 22.1949 -11.0074 TIMING: 1835600 CPU: 5328.64, 0.00289308/step Wall: 5328.64, 0.00289308/step, 2.54302 hours remaining, 206.242188 MB of memory in use. ENERGY: 1835600 748.4901 2046.6776 1957.5501 113.4774 -206358.3877 17715.6113 0.0000 0.0000 34386.7172 -149389.8640 300.3078 -183776.5812 -149290.7846 298.2780 -123.4253 -87.7034 557600.6571 5.7006 5.6148 PRESSURE: 1835800 4.13807 4.97264 93.4917 4.97231 -265.83 42.3355 93.4913 42.334 -181.403 GPRESSURE: 1835800 42.4125 -28.4058 151.647 -34.8614 -243.282 -17.516 133.551 71.9449 -158.859 PRESSAVG: 1835800 20.9443 -47.7239 5.5146 -47.7239 26.0772 13.9589 5.51465 13.959 -1.72 GPRESSAVG: 1835800 20.3276 -48.4563 6.7329 -46.769 27.7492 12.77 5.58534 11.9925 -2.81872 TIMING: 1835800 CPU: 5329.23, 0.00290797/step Wall: 5329.23, 0.00290797/step, 2.55594 hours remaining, 206.242188 MB of memory in use. ENERGY: 1835800 708.5287 2040.0723 1934.2906 114.2516 -205846.0558 17590.4571 0.0000 0.0000 34088.5291 -149369.9264 297.7036 -183458.4555 -149277.5803 298.0197 -147.6983 -119.9095 559571.3184 15.1005 15.0861 PRESSURE: 1836000 -20.1617 -43.2663 24.1629 -43.2658 -121.015 41.3841 24.1629 41.384 150.158 GPRESSURE: 1836000 -14.8909 -64.6512 -98.0237 -21.1676 -104.19 -29.6886 105.395 143.637 218.52 PRESSAVG: 1836000 6.2419 -75.4142 12.0202 -75.4143 -58.19 22.4155 12.0203 22.4156 35.9247 GPRESSAVG: 1836000 6.40023 -73.9948 10.106 -75.7336 -60.2804 20.1469 12.9186 26.095 37.6532 TIMING: 1836000 CPU: 5329.81, 0.00290506/step Wall: 5329.81, 0.00290506/step, 2.55323 hours remaining, 206.242188 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: 1836000 717.2178 2059.2170 1948.6727 121.3324 -206576.0607 18122.5695 0.0000 0.0000 34337.5291 -149269.5223 299.8782 -183607.0513 -149175.9137 298.2716 2.9938 33.1466 559441.9202 -5.3411 -5.4090 PRESSURE: 1836200 35.6991 15.5143 -8.80776 15.5137 255.192 260.985 -8.80828 260.985 171.247 GPRESSURE: 1836200 78.784 84.6042 -25.0029 7.93049 290.947 239.785 -50.306 284.899 184.915 PRESSAVG: 1836200 -33.4227 -3.79459 55.1976 -3.79472 -3.09412 1.65193 55.1976 1.65209 -1.70111 GPRESSAVG: 1836200 -33.461 -2.74257 56.4534 -4.53548 -2.4196 4.65888 51.6869 -0.238097 -2.13257 TIMING: 1836200 CPU: 5330.38, 0.0028863/step Wall: 5330.38, 0.0028863/step, 2.53658 hours remaining, 206.242188 MB of memory in use. ENERGY: 1836200 735.1343 2081.6581 1989.2387 105.6578 -206721.5422 18176.4377 0.0000 0.0000 34279.2517 -149354.1639 299.3692 -183633.4156 -149259.3380 298.3642 154.0459 184.8822 557745.9069 -12.7393 -12.6711 LDB: ============= START OF LOAD BALANCING ============== 5333.85 LDB: ============== END OF LOAD BALANCING =============== 5333.85 LDB: =============== DONE WITH MIGRATION ================ 5333.85 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 5334.14 LDB: Largest compute 4820 load 0.030409 is 25.8% of average load 0.117752 LDB: Average compute 0.001720 is 1.5% of average load 0.117752 LDB: TIME 5334.14 LOAD: AVG 0.117752 MAX 0.177779 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.961 MB LDB: TIME 5334.14 LOAD: AVG 0.117752 MAX 0.177779 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: TIME 5334.14 LOAD: AVG 0.117752 MAX 0.177779 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: ============== END OF LOAD BALANCING =============== 5334.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5334.15 PRESSURE: 1836400 -239.973 19.5857 -75.3236 19.5841 -70.487 -40.3382 -75.3239 -40.3384 -32.8157 GPRESSURE: 1836400 -233.255 2.64393 0.407949 73.9629 6.8097 -131.608 -58.3823 -43.0928 -17.1615 PRESSAVG: 1836400 -23.5476 -16.6828 -7.01556 -16.6829 12.3861 10.973 -7.0156 10.973 14.6102 GPRESSAVG: 1836400 -24.1736 -17.3812 -5.0989 -14.3934 12.6055 11.5502 -6.14025 11.1285 15.0801 TIMING: 1836400 CPU: 5330.97, 0.00294422/step Wall: 5330.97, 0.00294422/step, 2.58731 hours remaining, 205.363281 MB of memory in use. ENERGY: 1836400 756.6539 2092.7590 1971.4628 114.8614 -205915.5177 17572.8307 0.0000 0.0000 34185.9608 -149220.9891 298.5545 -183406.9499 -149127.1294 298.7003 -114.4253 -81.2024 557593.7824 1.1495 1.1707 PRESSURE: 1836600 -3.41334 161.607 89.2429 161.608 32.1762 -16.4552 89.2432 -16.4524 101.547 GPRESSURE: 1836600 27.5085 159.948 102.762 220.834 50.8241 -48.3542 99.0058 13.8651 134.405 PRESSAVG: 1836600 22.4417 56.3577 -8.72173 56.3576 -18.4887 -2.28982 -8.72179 -2.28985 47.2407 GPRESSAVG: 1836600 22.3738 54.7024 -9.52812 55.1681 -18.8515 -2.4629 -8.60614 -4.03308 47.6457 TIMING: 1836600 CPU: 5331.55, 0.0028822/step Wall: 5331.55, 0.0028822/step, 2.53265 hours remaining, 205.363281 MB of memory in use. ENERGY: 1836600 741.8968 2057.2963 1974.2265 110.1678 -206328.1693 17965.4580 0.0000 0.0000 34272.6113 -149206.5125 299.3112 -183479.1239 -149119.2240 299.0555 43.4367 70.9126 558314.1551 17.0646 17.0560 PRESSURE: 1836800 -126.281 32.9838 -1.61756 32.9841 -256.725 26.1116 -1.61686 26.111 -35.8507 GPRESSURE: 1836800 -135.622 32.9873 57.4758 42.9409 -239.614 72.9421 27.2724 92.2274 49.2089 PRESSAVG: 1836800 13.6915 32.9054 40.4758 32.9054 -27.4145 47.4099 40.4758 47.4099 57.8137 GPRESSAVG: 1836800 13.0681 33.7754 39.1126 33.9014 -26.1993 48.2767 40.5292 48.0081 57.1966 TIMING: 1836800 CPU: 5332.13, 0.0029002/step Wall: 5332.13, 0.0029002/step, 2.54831 hours remaining, 205.363281 MB of memory in use. ENERGY: 1836800 729.6209 2058.4488 1973.8715 107.3127 -206009.4518 17666.3786 0.0000 0.0000 34149.0064 -149324.8129 298.2318 -183473.8193 -149234.0716 300.0769 -139.6191 -108.6754 558523.0750 14.6969 14.6885 PRESSURE: 1837000 -80.6033 -39.1893 167.017 -39.1903 -178.537 -263.232 167.018 -263.231 -108.537 GPRESSURE: 1837000 -59.8272 44.8341 177.731 -17.6508 -87.3971 -195.516 113.761 -310.167 -127.777 PRESSAVG: 1837000 7.78541 10.6381 -23.4389 10.6379 -86.086 19.6238 -23.4389 19.6236 34.0533 GPRESSAVG: 1837000 9.49087 13.783 -21.4285 9.44464 -86.855 19.3709 -24.282 18.1285 33.1048 TIMING: 1837000 CPU: 5332.71, 0.00289315/step Wall: 5332.71, 0.00289315/step, 2.54196 hours remaining, 205.363281 MB of memory in use. ENERGY: 1837000 705.6604 2079.5443 1970.4029 111.5568 -206169.2910 17685.5416 0.0000 0.0000 34287.9557 -149328.6294 299.4452 -183616.5851 -149229.7947 298.9830 -122.5590 -91.6672 558238.5330 -14.7491 -14.7531 PRESSURE: 1837200 98.4112 -4.50521 5.99246 -4.50548 -226.493 105.972 5.99217 105.972 -170.282 GPRESSURE: 1837200 79.1104 34.6787 94.6964 -12.9621 -222.507 73.1956 17.2652 92.0425 -57.9218 PRESSAVG: 1837200 2.76667 39.8355 -8.15197 39.8354 5.03554 -7.02609 -8.15205 -7.02604 -17.4982 GPRESSAVG: 1837200 1.58559 38.6813 -10.5333 37.6383 6.3175 -9.50046 -5.79059 -2.66741 -16.9261 TIMING: 1837200 CPU: 5333.29, 0.00288893/step Wall: 5333.29, 0.00288893/step, 2.53808 hours remaining, 205.363281 MB of memory in use. ENERGY: 1837200 725.9427 2095.0469 1962.4393 107.3428 -205819.2047 17577.5635 0.0000 0.0000 34022.0988 -149328.7705 297.1235 -183350.8694 -149232.9903 298.8743 -99.4545 -67.1063 558408.2606 -3.2320 -3.0077 PRESSURE: 1837400 1.78957 25.5835 25.7887 25.5843 -101.268 -155.287 25.7893 -155.287 -17.861 GPRESSURE: 1837400 17.0932 35.8331 103.753 9.01345 -90.7394 -193.496 -44.2484 -90.816 55.083 PRESSAVG: 1837400 -8.16646 7.95645 -14.5126 7.95648 -56.337 -33.2219 -14.5125 -33.2221 40.7662 GPRESSAVG: 1837400 -7.30781 8.50809 -13.2034 10.4784 -56.361 -30.9624 -16.0863 -34.4489 39.9485 TIMING: 1837400 CPU: 5333.86, 0.00288093/step Wall: 5333.86, 0.00288093/step, 2.5309 hours remaining, 205.363281 MB of memory in use. ENERGY: 1837400 743.9503 2059.5922 1938.7460 116.8941 -206370.2500 17725.4158 0.0000 0.0000 34279.0530 -149506.5986 299.3675 -183785.6516 -149409.9511 298.6315 -39.1133 -6.1878 557979.5365 -7.9124 -7.9068 PRESSURE: 1837600 56.2956 -80.4925 -7.07129 -80.4918 14.7276 -73.7798 -7.07136 -73.7792 32.7174 GPRESSURE: 1837600 53.8691 -42.1846 7.51812 -3.48147 86.6873 -65.5709 -15.2217 -191.003 67.7342 PRESSAVG: 1837600 15.1834 -14.0687 101.091 -14.0688 -54.2653 -34.3937 101.091 -34.3936 48.8887 GPRESSAVG: 1837600 14.3012 -15.8348 99.1351 -14.4958 -54.926 -35.2318 103.402 -37.2106 50.5396 TIMING: 1837600 CPU: 5334.44, 0.00289211/step Wall: 5334.44, 0.00289211/step, 2.54056 hours remaining, 205.363281 MB of memory in use. ENERGY: 1837600 753.3268 2022.8886 1948.7802 121.9592 -206649.1982 17986.3643 0.0000 0.0000 34294.2016 -149521.6775 299.4998 -183815.8791 -149430.5761 297.8779 34.5802 69.4302 557740.8007 3.2689 3.3049 PRESSURE: 1837800 -228.042 -74.4556 -265.317 -74.4554 -143.792 156.117 -265.317 156.117 -82.5288 GPRESSURE: 1837800 -214.136 -106.414 -207.587 -35.0791 -94.8786 171.483 -324.031 111.22 -58.4117 PRESSAVG: 1837800 -27.3767 -6.57107 39.3672 -6.57109 10.7875 -31.7359 39.3673 -31.7359 11.2305 GPRESSAVG: 1837800 -26.5035 -7.00224 40.3067 -4.48682 10.823 -31.9176 37.0406 -29.7308 10.1139 TIMING: 1837800 CPU: 5335.02, 0.00287628/step Wall: 5335.02, 0.00287628/step, 2.5265 hours remaining, 205.363281 MB of memory in use. ENERGY: 1837800 773.4292 2088.4897 1955.0959 117.0224 -206266.0120 17812.4199 0.0000 0.0000 34066.1045 -149453.4504 297.5078 -183519.5549 -149364.6877 298.4776 -151.4543 -122.4755 559141.7947 -1.7862 -1.8555 PRESSURE: 1838000 -119.575 163.432 -141.217 163.432 -336.034 8.40046 -141.215 8.39937 -147.363 GPRESSURE: 1838000 -117.256 111.329 -178.341 151.603 -253.785 116.451 -121.041 -34.4179 -135.781 PRESSAVG: 1838000 49.2044 -33.8574 -44.4592 -33.8575 -25.6397 29.082 -44.4592 29.082 -2.66416 GPRESSAVG: 1838000 49.3651 -30.6717 -42.3286 -35.8271 -25.726 30.4662 -46.676 29.3713 -2.44088 TIMING: 1838000 CPU: 5335.6, 0.0029016/step Wall: 5335.6, 0.0029016/step, 2.54858 hours remaining, 205.363281 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: 1838000 732.3924 2065.9791 1955.6461 112.1743 -205696.6363 17377.7888 0.0000 0.0000 34076.7512 -149375.9045 297.6007 -183452.6556 -149278.9376 298.0243 -200.9909 -168.9405 558167.7765 6.9668 7.0661 PRESSURE: 1838200 -165.434 27.7076 29.8864 27.7083 -136.507 -7.68934 29.8863 -7.69108 -98.9194 GPRESSURE: 1838200 -112.021 27.9772 50.7907 48.17 -82.8922 -32.3069 42.8872 25.7578 -107.065 PRESSAVG: 1838200 -15.0542 2.64155 16.7457 2.64153 41.8458 -9.92394 16.7456 -9.92388 18.6794 GPRESSAVG: 1838200 -14.475 1.64096 16.7361 3.1181 41.6129 -9.77579 17.2112 -11.3103 18.558 TIMING: 1838200 CPU: 5336.18, 0.00289957/step Wall: 5336.18, 0.00289957/step, 2.54663 hours remaining, 205.363281 MB of memory in use. ENERGY: 1838200 725.4314 2017.8054 1942.2633 115.2118 -206378.0301 17791.9105 0.0000 0.0000 34397.0247 -149388.3830 300.3978 -183785.4076 -149290.9658 297.7637 -133.6202 -100.6593 557093.2524 15.1570 15.2320 PRESSURE: 1838400 -268.037 -8.86306 44.3107 -8.86304 -34.7784 37.159 44.3092 37.1581 -86.6042 GPRESSURE: 1838400 -192.088 -39.9862 73.1504 -41.4648 -51.3262 28.7706 4.94963 13.8306 -47.1694 PRESSAVG: 1838400 59.2132 30.4005 81.1293 30.4004 -21.2699 -13.5189 81.1294 -13.519 -40.9009 GPRESSAVG: 1838400 59.7269 31.2098 79.0246 28.9942 -22.0879 -13.2181 83.3753 -13.9728 -41.2467 TIMING: 1838400 CPU: 5336.75, 0.00286321/step Wall: 5336.75, 0.00286321/step, 2.51454 hours remaining, 205.363281 MB of memory in use. ENERGY: 1838400 728.7710 2111.4780 1944.2362 116.7734 -206334.9746 17753.3357 0.0000 0.0000 34388.6840 -149291.6964 300.3249 -183680.3803 -149202.5741 298.7739 -129.8064 -96.8613 557076.8177 -0.9859 -1.2026 PRESSURE: 1838600 -57.3781 54.8143 -84.9064 54.8143 -159.863 91.3688 -84.9064 91.369 94.8238 GPRESSURE: 1838600 -2.0367 -2.24635 -199.784 129.206 -122.045 74.0277 -18.9183 107.049 94.618 PRESSAVG: 1838600 33.8009 5.90486 -47.5027 5.90492 -37.7995 -35.2467 -47.5027 -35.2466 -7.57205 GPRESSAVG: 1838600 33.3793 3.52799 -48.114 7.30728 -38.7096 -37.5127 -48.6228 -33.786 -6.90156 TIMING: 1838600 CPU: 5337.32, 0.00288013/step Wall: 5337.32, 0.00288013/step, 2.52923 hours remaining, 205.433594 MB of memory in use. ENERGY: 1838600 710.0840 2032.0606 1972.7768 119.2109 -205955.5409 17665.0273 0.0000 0.0000 34289.4337 -149166.9475 299.4582 -183456.3812 -149073.7386 299.4275 -40.8057 -9.8213 557128.8930 -3.8569 -4.0773 PRESSURE: 1838800 143.508 -362.281 81.009 -362.281 11.8341 -15.6896 81.01 -15.6889 -125.823 GPRESSURE: 1838800 220.887 -264.733 16.6489 -389.3 8.77263 12.7306 82.4503 -89.8303 -102.988 PRESSAVG: 1838800 26.6741 -17.3602 63.2772 -17.3603 47.0494 32.7833 63.2771 32.7834 -53.7917 GPRESSAVG: 1838800 26.1228 -17.4324 65.7014 -17.0246 47.9503 34.1418 62.2317 33.7286 -53.7894 TIMING: 1838800 CPU: 5337.9, 0.00289645/step Wall: 5337.9, 0.00289645/step, 2.5434 hours remaining, 205.433594 MB of memory in use. ENERGY: 1838800 762.6492 2054.6819 1989.4431 101.4217 -206390.2336 17877.1709 0.0000 0.0000 34073.0330 -149531.8337 297.5683 -183604.8668 -149440.7099 298.6958 9.8396 42.2241 555297.4867 6.6439 6.7612 PRESSURE: 1839000 238.766 50.7005 11.6502 50.7027 -29.9612 48.4519 11.6508 48.4531 29.1285 GPRESSURE: 1839000 246.04 -9.16441 -44.9553 48.4425 59.3727 68.5606 20.7136 65.6022 16.6314 PRESSAVG: 1839000 18.3872 25.5679 54.1707 25.5679 -21.5861 -28.144 54.1707 -28.1439 -32.7963 GPRESSAVG: 1839000 17.5111 26.4303 53.3457 25.051 -22.0166 -28.4999 53.1244 -29.171 -31.9441 TIMING: 1839000 CPU: 5338.48, 0.00288644/step Wall: 5338.48, 0.00288644/step, 2.53446 hours remaining, 205.433594 MB of memory in use. ENERGY: 1839000 704.9351 1963.6947 1981.8242 119.7883 -206324.1113 17953.4101 0.0000 0.0000 34192.6865 -149407.7724 298.6132 -183600.4589 -149315.0009 298.4152 79.3109 107.3482 556243.8255 -11.9984 -12.1499 PRESSURE: 1839200 -149.701 84.7617 -78.169 84.7623 -341.723 49.8598 -78.1708 49.8614 -223.199 GPRESSURE: 1839200 -126.501 106.177 -121.796 59.0414 -309.176 63.3454 -94.3145 41.4977 -179.925 PRESSAVG: 1839200 55.6748 44.129 9.26465 44.129 -22.2009 -32.7525 9.26465 -32.7524 -23.8713 GPRESSAVG: 1839200 55.2629 43.9714 8.76726 42.9357 -20.6492 -33.2059 12.5549 -32.8013 -25.3587 TIMING: 1839200 CPU: 5339.06, 0.00288671/step Wall: 5339.06, 0.00288671/step, 2.53453 hours remaining, 205.433594 MB of memory in use. ENERGY: 1839200 720.4034 2056.6081 1972.2258 108.5906 -205557.0272 17366.5111 0.0000 0.0000 34220.6857 -149112.0024 298.8578 -183332.6881 -149014.0010 298.9567 -238.2076 -205.2007 557824.5545 3.2009 3.0850 PRESSURE: 1839400 -381.318 41.6125 -6.90184 41.6143 -178.132 92.6384 -6.90041 92.6383 -282.458 GPRESSURE: 1839400 -357.637 -20.2584 -28.3142 44.7365 -160.566 97.1151 -47.6067 95.9786 -228.566 PRESSAVG: 1839400 40.4425 4.22596 33.9932 4.22592 -32.2048 -35.9305 33.9932 -35.9306 -26.4832 GPRESSAVG: 1839400 41.3816 3.34639 36.4279 4.96585 -33.3665 -36.0811 31.7368 -35.3443 -26.7093 TIMING: 1839400 CPU: 5339.64, 0.00290176/step Wall: 5339.64, 0.00290176/step, 2.54758 hours remaining, 205.433594 MB of memory in use. ENERGY: 1839400 730.7008 2030.1971 1984.7793 104.2793 -205768.7778 17524.6566 0.0000 0.0000 34323.1498 -149071.0148 299.7526 -183394.1647 -148977.2553 298.9971 -280.6359 -248.9232 559941.2213 -6.0818 -6.2314 PRESSURE: 1839600 54.032 152.124 16.2685 152.124 -158.832 232.342 16.2675 232.342 -326.906 GPRESSURE: 1839600 100.445 265.814 -49.2652 86.9258 -119.635 225.284 142.454 207.23 -317.783 PRESSAVG: 1839600 63.516 -8.35356 1.35208 -8.35355 -35.8082 60.667 1.35212 60.667 -42.7243 GPRESSAVG: 1839600 62.3146 -8.00954 -0.770896 -6.89748 -34.6718 59.5973 2.24827 62.1662 -43.0343 TIMING: 1839600 CPU: 5340.22, 0.00289468/step Wall: 5340.22, 0.00289468/step, 2.54121 hours remaining, 205.433594 MB of memory in use. ENERGY: 1839600 751.0240 2065.6492 1951.4028 100.8100 -205599.0526 17674.3754 0.0000 0.0000 33993.0297 -149062.7614 296.8696 -183055.7911 -148973.8182 299.4770 -143.9020 -112.3243 560417.8327 -5.0055 -5.1305 PRESSURE: 1839800 -7.11642 -31.2493 29.7471 -31.2476 -202.568 -60.3149 29.7467 -60.3159 -161.087 GPRESSURE: 1839800 78.393 -13.8377 17.3319 -35.3093 -188.142 -8.22543 120.587 -111.613 -168.379 PRESSAVG: 1839800 54.1526 83.4685 8.19977 83.4685 -12.9912 35.332 8.19978 35.3321 -49.2605 GPRESSAVG: 1839800 54.658 84.9509 7.21827 83.2364 -14.3046 36.4831 9.14263 31.021 -49.0391 TIMING: 1839800 CPU: 5340.8, 0.00288721/step Wall: 5340.8, 0.00288721/step, 2.53449 hours remaining, 205.433594 MB of memory in use. ENERGY: 1839800 732.5400 2046.2419 2003.9514 111.9059 -206247.2320 17768.5184 0.0000 0.0000 34335.3879 -149248.6865 299.8595 -183584.0744 -149154.9600 298.8525 -123.5903 -92.7095 557990.5480 -2.6997 -2.8952 PRESSURE: 1840000 -321.553 -107.116 -37.059 -107.117 -355.187 18.3317 -37.0595 18.3306 -270.691 GPRESSURE: 1840000 -303.599 -45.6614 -121.074 -85.9951 -326.627 -21.1516 -29.5859 -12.1316 -222.153 PRESSAVG: 1840000 -25.6225 25.149 -5.12415 25.1489 -15.3048 -32.0465 -5.12416 -32.0464 8.08185 GPRESSAVG: 1840000 -25.5861 22.6968 -3.55745 26.3624 -15.1243 -33.2348 -7.00585 -27.9696 7.40237 TIMING: 1840000 CPU: 5341.38, 0.00289751/step Wall: 5341.38, 0.00289751/step, 2.54337 hours remaining, 205.433594 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: 1840000 754.5678 2069.0300 1962.9698 125.7888 -205878.1102 17488.3820 0.0000 0.0000 34319.0977 -149158.2741 299.7172 -183477.3719 -149073.3371 299.1146 -315.8103 -284.1262 558293.9427 -10.9485 -11.1027 PRESSURE: 1840200 -168.446 3.85048 75.6507 3.8501 -14.3243 8.37123 75.6512 8.3701 -178.411 GPRESSURE: 1840200 -83.5858 7.42783 -1.01533 30.7374 25.155 38.0772 67.039 -37.5764 -209.272 PRESSAVG: 1840200 -56.8489 55.4084 -41.9788 55.4084 4.20281 35.005 -41.9788 35.005 -6.01222 GPRESSAVG: 1840200 -57.6324 58.1582 -42.9723 53.282 4.79607 35.9814 -40.5139 34.9787 -5.62479 TIMING: 1840200 CPU: 5341.95, 0.0028912/step Wall: 5341.95, 0.0028912/step, 2.53767 hours remaining, 205.433594 MB of memory in use. ENERGY: 1840200 723.7045 2084.9973 1948.0575 97.8002 -206174.2094 17722.5595 0.0000 0.0000 34239.1077 -149357.9826 299.0186 -183597.0904 -149260.0512 299.1125 -120.3940 -89.2341 558643.1214 -19.5528 -19.4870 LDB: ============= START OF LOAD BALANCING ============== 5345.42 LDB: ============== END OF LOAD BALANCING =============== 5345.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5345.42 LDB: ============= START OF LOAD BALANCING ============== 5345.71 LDB: Largest compute 4821 load 0.029584 is 25.1% of average load 0.117681 LDB: Average compute 0.001719 is 1.5% of average load 0.117681 LDB: TIME 5345.71 LOAD: AVG 0.117681 MAX 0.177711 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.188 MB LDB: TIME 5345.71 LOAD: AVG 0.117681 MAX 0.177711 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: TIME 5345.71 LOAD: AVG 0.117681 MAX 0.177711 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.234 MB LDB: ============== END OF LOAD BALANCING =============== 5345.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5345.72 PRESSURE: 1840400 -54.0539 199.395 199.104 199.396 -104.133 -155.556 199.104 -155.556 -151.531 GPRESSURE: 1840400 -69.9158 254.234 150.071 195.535 -46.0323 -247.429 144.431 -94.5759 -97.811 PRESSAVG: 1840400 -5.39337 -8.91583 7.86745 -8.9158 5.95459 -33.1238 7.86742 -33.1238 -5.16739 GPRESSAVG: 1840400 -5.25161 -9.49723 9.96087 -7.27803 6.10381 -31.9378 6.27787 -34.4863 -5.62338 TIMING: 1840400 CPU: 5342.54, 0.00295029/step Wall: 5342.54, 0.00295029/step, 2.58937 hours remaining, 206.703125 MB of memory in use. ENERGY: 1840400 743.8963 2066.4821 1993.4475 120.0956 -206259.6063 17811.0011 0.0000 0.0000 34184.0068 -149340.6769 298.5374 -183524.6837 -149240.5374 298.4606 -103.2392 -71.2530 559131.2283 -1.5354 -1.5904 PRESSURE: 1840600 -164.863 188.4 -62.8531 188.399 182.884 -4.35673 -62.854 -4.3584 39.6809 GPRESSURE: 1840600 -123.452 221.373 6.35066 159.618 186.771 11.0143 -3.22646 34.4603 95.3289 PRESSAVG: 1840600 37.4183 5.74541 -3.73348 5.74549 -0.0713994 -27.179 -3.73352 -27.179 -61.1887 GPRESSAVG: 1840600 37.3855 6.50076 -5.44376 6.48484 -0.696173 -28.0997 -1.10035 -25.6076 -60.6678 TIMING: 1840600 CPU: 5343.12, 0.0028996/step Wall: 5343.12, 0.0028996/step, 2.54472 hours remaining, 206.847656 MB of memory in use. ENERGY: 1840600 758.2023 2121.6029 1950.0207 119.2857 -206169.8458 17790.7386 0.0000 0.0000 34220.6693 -149209.3263 298.8576 -183429.9957 -149120.1063 299.1040 19.2340 52.8827 558164.3604 -7.9473 -7.9928 PRESSURE: 1840800 -334.155 -139.214 -45.1959 -139.213 -76.6859 -75.1165 -45.1959 -75.1137 -118.421 GPRESSURE: 1840800 -346.009 -146.872 -7.17356 -81.0706 10.3144 -68.5297 1.34051 -52.5069 -96.3492 PRESSAVG: 1840800 33.1358 28.1724 38.9468 28.1723 -34.456 16.0121 38.9468 16.0122 -5.92552 GPRESSAVG: 1840800 33.6862 27.1417 37.2577 27.3269 -34.8383 14.4688 38.4291 15.7795 -6.20508 TIMING: 1840800 CPU: 5343.7, 0.00289591/step Wall: 5343.7, 0.00289591/step, 2.54132 hours remaining, 206.847656 MB of memory in use. ENERGY: 1840800 753.7211 2115.1243 1951.7119 114.5103 -206146.7581 17594.6727 0.0000 0.0000 34226.7861 -149390.2318 298.9110 -183617.0179 -149291.7366 299.2903 -176.4205 -144.0146 557794.3292 -2.4152 -2.4524 PRESSURE: 1841000 -208.089 127.973 13.2249 127.975 -234.888 -1.64042 13.2248 -1.64018 -121.917 GPRESSURE: 1841000 -146.934 92.3472 99.951 185.259 -209.719 -36.9687 -71.6273 11.3377 -101.258 PRESSAVG: 1841000 48.6754 9.7398 71.7041 9.73973 -25.7152 -20.3838 71.7042 -20.3839 -8.6139 GPRESSAVG: 1841000 48.2257 10.0156 72.1285 7.8775 -24.3598 -20.4065 71.6514 -18.9428 -9.92058 TIMING: 1841000 CPU: 5344.28, 0.00287413/step Wall: 5344.28, 0.00287413/step, 2.52205 hours remaining, 206.917969 MB of memory in use. ENERGY: 1841000 725.1026 2040.4125 2003.8789 125.0992 -206214.6565 17687.5640 0.0000 0.0000 34153.9732 -149478.6260 298.2751 -183632.5992 -149380.8715 298.8963 -188.2978 -152.6370 558881.9955 4.7821 4.6484 PRESSURE: 1841200 193.285 -46.1576 -55.7117 -46.1578 223.501 -104.153 -55.7121 -104.153 -52.3146 GPRESSURE: 1841200 263.153 -132.292 -47.619 -31.8483 209.083 -113.96 -132.697 -119.689 -12.5863 PRESSAVG: 1841200 6.23019 -9.50647 51.755 -9.50643 38.5834 24.8688 51.7549 24.8686 4.39904 GPRESSAVG: 1841200 5.95894 -10.37 51.5742 -6.80201 37.7019 24.359 52.0477 24.1449 5.5131 TIMING: 1841200 CPU: 5344.85, 0.00288609/step Wall: 5344.85, 0.00288609/step, 2.53238 hours remaining, 206.917969 MB of memory in use. ENERGY: 1841200 757.9089 2089.3557 1927.3003 106.9280 -207100.8745 18310.1194 0.0000 0.0000 34287.4227 -149621.8395 299.4406 -183909.2622 -149526.6023 298.9327 121.4904 153.2166 557249.9820 16.4042 16.3913 PRESSURE: 1841400 121.907 78.3008 94.8736 78.3002 87.3049 -118.901 94.8751 -118.902 -9.88595 GPRESSURE: 1841400 145.901 141.287 91.8089 -22.2198 135.254 -113.739 87.1927 -66.5964 20.253 PRESSAVG: 1841400 -26.4822 -7.98096 41.5422 -7.98089 50.9272 -16.1082 41.5422 -16.1082 6.539 GPRESSAVG: 1841400 -26.1137 -6.18 44.3663 -9.27164 50.4255 -14.2368 40.1945 -16.1757 6.51464 TIMING: 1841400 CPU: 5345.43, 0.00287713/step Wall: 5345.43, 0.00287713/step, 2.52436 hours remaining, 206.917969 MB of memory in use. ENERGY: 1841400 759.6571 2081.3408 1961.8732 121.4137 -206813.9412 17995.2260 0.0000 0.0000 34073.4254 -149821.0051 297.5717 -183894.4305 -149726.6551 297.4819 66.4420 100.4693 556386.5591 10.3280 10.2755 PRESSURE: 1841600 -199.371 80.7063 40.5018 80.7055 -14.7284 -25.8243 40.5017 -25.8226 -26.1204 GPRESSURE: 1841600 -157.651 64.7458 44.5706 53.4334 55.1447 -63.0286 -34.08 -55.9665 -34.2255 PRESSAVG: 1841600 -47.3392 -3.56174 34.1876 -3.56171 66.4743 8.58728 34.1876 8.58723 -10.3147 GPRESSAVG: 1841600 -48.5795 -4.33397 33.2584 -2.33665 67.6822 5.80069 33.7671 9.12958 -10.291 TIMING: 1841600 CPU: 5346, 0.00286925/step Wall: 5346, 0.00286925/step, 2.51729 hours remaining, 206.917969 MB of memory in use. ENERGY: 1841600 775.1830 2084.6467 2010.3078 120.0527 -206720.6340 17831.8646 0.0000 0.0000 34123.3643 -149775.2148 298.0078 -183898.5792 -149679.0069 297.8479 -80.0733 -45.5772 557375.5769 2.9402 2.9373 PRESSURE: 1841800 -90.5509 -55.7425 -61.2648 -55.7411 -268.82 99.0257 -61.2651 99.0254 -71.0747 GPRESSURE: 1841800 -54.8155 0.63098 -58.2245 21.314 -267.241 197.737 13.1198 31.7113 -9.14137 PRESSAVG: 1841800 -16.6905 -33.4398 103.838 -33.4397 4.35403 34.6542 103.838 34.6542 45.1745 GPRESSAVG: 1841800 -15.2144 -33.6552 101.869 -34.0814 3.67498 37.0031 105.769 33.6822 43.9568 TIMING: 1841800 CPU: 5346.58, 0.0028931/step Wall: 5346.58, 0.0028931/step, 2.53805 hours remaining, 206.917969 MB of memory in use. ENERGY: 1841800 770.8103 2132.7605 1980.0173 116.1309 -206847.0161 17965.8546 0.0000 0.0000 34376.9027 -149504.5398 300.2220 -183881.4424 -149408.7531 298.1150 -143.4819 -110.3992 557085.7257 10.9460 10.8058 PRESSURE: 1842000 60.6392 48.3931 115.562 48.3924 138.618 28.5555 115.562 28.5574 157.692 GPRESSURE: 1842000 40.2925 43.7109 144.278 25.3752 268.209 10.4124 51.3414 8.37513 137.535 PRESSAVG: 1842000 -22.2044 -3.79867 20.6625 -3.79866 -38.6291 -22.8537 20.6626 -22.8537 15.9938 GPRESSAVG: 1842000 -22.7005 -4.94568 22.464 -3.17006 -38.9999 -22.8953 20.0744 -23.9209 17.2037 TIMING: 1842000 CPU: 5347.16, 0.00290553/step Wall: 5347.16, 0.00290553/step, 2.5488 hours remaining, 206.917969 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: 1842000 749.0059 2123.7484 1984.8181 117.4318 -206520.1673 17973.5060 0.0000 0.0000 34279.3960 -149292.2611 299.3705 -183571.6571 -149198.5502 298.9750 118.9832 148.6788 556180.3202 -14.9466 -14.8322 PRESSURE: 1842200 30.8667 -99.4778 -34.1384 -99.4782 -47.4591 160.865 -34.1384 160.865 -65.6216 GPRESSURE: 1842200 48.1632 -111.715 -9.73011 -75.5776 30.7211 74.748 21.8006 223.438 -67.9362 PRESSAVG: 1842200 2.20542 -43.3318 1.19854 -43.3315 2.40446 -4.21018 1.19851 -4.2102 3.24518 GPRESSAVG: 1842200 2.2862 -41.5899 0.967673 -44.081 2.52507 -3.03746 1.05159 -6.11922 3.36279 TIMING: 1842200 CPU: 5347.74, 0.00290349/step Wall: 5347.74, 0.00290349/step, 2.54685 hours remaining, 206.917969 MB of memory in use. ENERGY: 1842200 803.9159 2099.2858 1972.0138 119.5534 -206361.7384 17806.2413 0.0000 0.0000 34209.1522 -149351.5759 298.7570 -183560.7281 -149264.8272 298.7149 -27.4047 3.6494 557241.1222 2.6184 2.7247 PRESSURE: 1842400 -6.61083 -17.7357 95.4278 -17.7356 266.113 -36.4217 95.4268 -36.4202 -21.2651 GPRESSURE: 1842400 40.6254 38.0759 113.234 79.3823 273.677 -100.421 61.3481 21.1785 33.6266 PRESSAVG: 1842400 16.0691 31.5744 -9.43374 31.5745 17.2638 -45.287 -9.43375 -45.2869 -27.133 GPRESSAVG: 1842400 16.0248 29.8414 -9.46533 31.3679 17.5117 -47.3329 -9.83683 -44.7525 -27.5305 TIMING: 1842400 CPU: 5348.32, 0.00289879/step Wall: 5348.32, 0.00289879/step, 2.54256 hours remaining, 206.917969 MB of memory in use. ENERGY: 1842400 774.7502 2098.0695 1973.1988 116.5067 -206688.6164 18095.1303 0.0000 0.0000 34335.9434 -149295.0174 299.8643 -183630.9609 -149201.3041 299.6465 79.4125 115.9765 558734.4218 2.0666 2.0020 PRESSURE: 1842600 46.3778 129.338 -16.1272 129.337 -32.3745 -57.3311 -16.1262 -57.3316 60.9574 GPRESSURE: 1842600 42.8375 70.3727 -103.301 114.165 17.2907 -25.5953 22.4733 -30.2689 104.919 PRESSAVG: 1842600 -15.6215 -4.301 36.8125 -4.30099 -4.75537 -4.20303 36.8124 -4.2031 75.7018 GPRESSAVG: 1842600 -15.5269 -1.24659 37.4071 -4.78828 -6.34482 -5.61747 36.8938 -0.205944 77.0103 TIMING: 1842600 CPU: 5348.9, 0.00289269/step Wall: 5348.9, 0.00289269/step, 2.53705 hours remaining, 206.917969 MB of memory in use. ENERGY: 1842600 771.8383 2050.7688 1962.3750 113.0651 -206396.4546 18042.5018 0.0000 0.0000 34144.9632 -149310.9425 298.1965 -183455.9057 -149215.5398 298.9886 24.9869 55.0158 557104.2260 18.4417 18.3795 PRESSURE: 1842800 -186.504 -102.958 -28.8908 -102.957 42.4889 -89.7336 -28.891 -89.7325 -101.5 GPRESSURE: 1842800 -161.234 -216.911 -2.19677 -15.3278 102.521 -74.3576 -83.0024 -73.1242 -84.7237 PRESSAVG: 1842800 -3.607 -29.2501 -27.1434 -29.2501 24.443 -4.5655 -27.1434 -4.56562 45.8314 GPRESSAVG: 1842800 -3.84444 -31.5146 -25.6052 -28.4563 25.7264 -1.49174 -26.6992 -7.76043 44.7732 TIMING: 1842800 CPU: 5349.48, 0.00288157/step Wall: 5349.48, 0.00288157/step, 2.52714 hours remaining, 206.917969 MB of memory in use. ENERGY: 1842800 782.4272 2092.9052 1957.8380 124.7253 -206316.7758 17932.1627 0.0000 0.0000 34102.9556 -149323.7617 297.8296 -183426.7173 -149234.9969 299.0068 -81.8384 -47.8121 559700.6910 22.2225 22.2184 PRESSURE: 1843000 33.3474 85.7115 -1.16624 85.7125 -105.241 45.5251 -1.16598 45.5246 -131.125 GPRESSURE: 1843000 25.634 -3.02956 -45.7899 103.76 -35.9351 73.1367 46.1268 73.0179 -102.046 PRESSAVG: 1843000 85.3427 13.9956 12.5103 13.9956 -33.7638 -37.4556 12.5103 -37.4556 -3.51229 GPRESSAVG: 1843000 86.0633 13.5436 10.1544 12.4001 -35.0897 -39.9968 12.0562 -36.2335 -1.86668 TIMING: 1843000 CPU: 5350.06, 0.0028947/step Wall: 5350.06, 0.0028947/step, 2.53849 hours remaining, 206.957031 MB of memory in use. ENERGY: 1843000 773.9036 2074.9511 1972.0337 114.2246 -206328.1129 17874.4747 0.0000 0.0000 34175.0460 -149343.4792 298.4592 -183518.5252 -149249.1491 298.1995 -67.6726 -37.4491 560036.5856 16.0222 16.3690 PRESSURE: 1843200 -315.373 75.232 -54.3031 75.2334 -211.55 127.095 -54.3021 127.096 -230.502 GPRESSURE: 1843200 -319.99 -18.8375 -60.8595 123.137 -173.377 184.206 -54.4824 167.776 -169.303 PRESSAVG: 1843200 17.3377 -63.1672 -54.267 -63.1671 5.56369 -17.008 -54.267 -17.008 -0.935128 GPRESSAVG: 1843200 16.4179 -63.3398 -53.3758 -62.2408 6.38183 -13.9464 -54.8854 -18.3948 -0.947143 TIMING: 1843200 CPU: 5350.64, 0.00289486/step Wall: 5350.64, 0.00289486/step, 2.53847 hours remaining, 206.957031 MB of memory in use. ENERGY: 1843200 785.1623 2094.2585 1943.6297 126.4198 -206159.6338 17770.3818 0.0000 0.0000 34054.7473 -149385.0343 297.4086 -183439.7817 -149282.7559 297.8410 -252.4752 -220.8899 558869.5891 7.3221 7.2842 PRESSURE: 1843400 281.781 -100.832 46.6366 -100.835 154.772 15.7979 46.6368 15.7978 33.8155 GPRESSURE: 1843400 281.538 -58.9901 27.7476 -131.807 235.81 37.6559 86.4747 76.4299 46.0542 PRESSAVG: 1843400 -86.8391 -24.188 -7.06074 -24.188 28.6488 7.78558 -7.06086 7.7856 26.2669 GPRESSAVG: 1843400 -85.7628 -22.8411 -6.32851 -24.4345 28.1041 5.39713 -6.73318 10.8891 25.5689 TIMING: 1843400 CPU: 5351.22, 0.00290167/step Wall: 5351.22, 0.00290167/step, 2.54428 hours remaining, 206.957031 MB of memory in use. ENERGY: 1843400 746.5332 2134.2938 1976.4829 107.9165 -206684.3159 18280.3408 0.0000 0.0000 34131.8306 -149306.9181 298.0818 -183438.7487 -149215.6284 299.1680 156.7896 187.8008 557019.4813 -10.6412 -10.6966 PRESSURE: 1843600 114.363 -160.385 27.9087 -160.386 67.5992 -19.547 27.9087 -19.5479 -112.08 GPRESSURE: 1843600 117.44 -205.076 38.6368 -133.852 86.3005 13.5916 57.3224 -22.9125 -29.1399 PRESSAVG: 1843600 6.27979 -40.8412 40.3369 -40.8412 21.3676 58.0403 40.3369 58.0402 -18.1353 GPRESSAVG: 1843600 5.85617 -41.4749 40.4055 -41.3555 21.0416 59.6111 40.4262 56.4882 -17.3949 TIMING: 1843600 CPU: 5351.8, 0.00291199/step Wall: 5351.8, 0.00291199/step, 2.55317 hours remaining, 207.023438 MB of memory in use. ENERGY: 1843600 761.8698 2082.8713 2002.3617 112.3798 -206273.4600 17762.5507 0.0000 0.0000 34305.7432 -149245.6835 299.6006 -183551.4268 -149138.5632 299.2473 23.2941 58.2003 556383.7752 3.1707 3.1676 PRESSURE: 1843800 -19.1757 -33.1772 -70.6691 -33.1758 -383.92 108.22 -70.6693 108.221 -324.556 GPRESSURE: 1843800 -5.12958 -86.5903 -2.39515 -14.2798 -346.493 129.016 -51.5466 -2.87389 -282.217 PRESSAVG: 1843800 44.5353 32.1359 -16.0229 32.1359 20.2968 78.4235 -16.0229 78.4236 -4.81876 GPRESSAVG: 1843800 44.6361 32.6952 -16.8779 32.7048 21.0982 77.552 -16.166 77.2559 -6.18763 TIMING: 1843800 CPU: 5352.38, 0.00290321/step Wall: 5352.38, 0.00290321/step, 2.54531 hours remaining, 207.023438 MB of memory in use. ENERGY: 1843800 748.1268 2059.7829 1966.8200 130.5040 -205821.3481 17458.4017 0.0000 0.0000 34444.6322 -149013.0805 300.8135 -183457.7127 -148919.1075 299.8606 -242.5504 -211.2798 557892.9831 20.0044 19.8489 PRESSURE: 1844000 -213.277 -69.2857 178.47 -69.2857 -111.475 141.218 178.469 141.218 479.945 GPRESSURE: 1844000 -129.385 -47.3624 127.461 -146.944 -76.8801 97.8454 140.507 196.641 461.255 PRESSAVG: 1844000 12.3996 -25.1405 -28.5538 -25.1405 -24.5454 0.818057 -28.5539 0.818041 17.9269 GPRESSAVG: 1844000 11.7383 -24.2932 -28.9585 -27.8357 -24.9225 0.665977 -28.3026 1.71035 19.1913 TIMING: 1844000 CPU: 5352.96, 0.00288327/step Wall: 5352.96, 0.00288327/step, 2.52767 hours remaining, 207.023438 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: 1844000 744.2516 2091.2351 1975.5957 123.8324 -205996.2531 17799.3254 0.0000 0.0000 34170.6716 -149091.3414 298.4210 -183262.0130 -148991.0196 299.5044 51.7311 84.9966 557570.3720 1.9270 2.0024 PRESSURE: 1844200 -171.321 90.5258 5.84847 90.5243 -81.491 -111.553 5.84905 -111.553 90.4418 GPRESSURE: 1844200 -157.834 74.9607 49.3754 47.7134 -43.6205 -102.583 -97.3013 -129.728 127.396 PRESSAVG: 1844200 -49.4513 -5.1945 71.4904 -5.19452 15.9204 46.6104 71.4904 46.6103 43.0366 GPRESSAVG: 1844200 -49.3612 -6.55886 71.5476 -2.67776 15.4253 47.0442 69.7798 46.2579 43.2155 TIMING: 1844200 CPU: 5353.53, 0.00288953/step Wall: 5353.53, 0.00288953/step, 2.533 hours remaining, 207.023438 MB of memory in use. ENERGY: 1844200 734.4324 2105.2437 1959.2105 118.5288 -206005.4981 17675.6147 0.0000 0.0000 34277.4618 -149135.0062 299.3536 -183412.4680 -149038.0086 299.2308 -54.1235 -24.6862 559332.1113 3.1686 3.0932 LDB: ============= START OF LOAD BALANCING ============== 5357 LDB: ============== END OF LOAD BALANCING =============== 5357 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5357 LDB: ============= START OF LOAD BALANCING ============== 5357.29 LDB: Largest compute 4820 load 0.029346 is 24.9% of average load 0.117796 LDB: Average compute 0.001725 is 1.5% of average load 0.117796 LDB: TIME 5357.29 LOAD: AVG 0.117796 MAX 0.178295 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.473 MB LDB: TIME 5357.29 LOAD: AVG 0.117796 MAX 0.178295 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.719 MB LDB: TIME 5357.29 LOAD: AVG 0.117796 MAX 0.178295 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5357.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5357.3 PRESSURE: 1844400 -318.519 37.2158 66.4611 37.217 -406.538 135.073 66.4609 135.072 -207.85 GPRESSURE: 1844400 -261.005 77.6364 72.3908 118.922 -411.101 88.9099 -34.9934 112.565 -178.763 PRESSAVG: 1844400 65.547 15.3216 -27.7271 15.3215 -48.8832 1.51917 -27.727 1.51915 -41.1283 GPRESSAVG: 1844400 66.5856 16.1473 -29.4914 14.5508 -49.3946 -2.90405 -26.2664 3.8621 -41.8606 TIMING: 1844400 CPU: 5354.13, 0.00295351/step Wall: 5354.13, 0.00295351/step, 2.58892 hours remaining, 208.453125 MB of memory in use. ENERGY: 1844400 721.5212 2097.0719 1983.7057 98.6143 -205357.3392 17408.9004 0.0000 0.0000 34047.3036 -149000.2220 297.3436 -183047.5256 -148899.2743 299.0852 -310.9689 -283.6230 561019.6548 -8.1548 -8.2232 PRESSURE: 1844600 -8.88766 53.3006 7.93036 53.3012 -71.646 -52.8963 7.9306 -52.8979 -118.588 GPRESSURE: 1844600 47.3739 56.984 9.81018 -35.8581 -58.3651 -43.7718 78.2563 -26.7451 -97.1787 PRESSAVG: 1844600 -37.5961 11.9408 13.0653 11.9408 36.3251 2.68505 13.0653 2.68497 -17.9572 GPRESSAVG: 1844600 -39.3546 12.2319 14.2423 11.1492 36.6888 6.2382 13.9187 0.42686 -16.8 TIMING: 1844600 CPU: 5354.7, 0.00289565/step Wall: 5354.7, 0.00289565/step, 2.53803 hours remaining, 208.453125 MB of memory in use. ENERGY: 1844600 718.7802 2022.3275 1971.0433 127.0172 -206015.2175 17712.9279 0.0000 0.0000 34337.3500 -149125.7715 299.8766 -183463.1216 -149024.8992 299.3539 -66.3738 -36.0566 557896.6639 -6.4094 -6.4886 PRESSURE: 1844800 -72.8304 -98.8132 22.9715 -98.814 235.124 119.17 22.9716 119.17 86.1844 GPRESSURE: 1844800 -9.11903 -22.9388 -33.3407 -51.45 290.245 93.9485 32.7312 148.907 56.6279 PRESSAVG: 1844800 -31.0191 45.621 21.5123 45.6208 0.249306 2.77258 21.5122 2.7726 -9.96721 GPRESSAVG: 1844800 -30.3266 44.9591 21.7014 47.5173 0.454962 1.83679 21.2492 4.17949 -10.4972 TIMING: 1844800 CPU: 5355.28, 0.00288699/step Wall: 5355.28, 0.00288699/step, 2.53029 hours remaining, 208.453125 MB of memory in use. ENERGY: 1844800 727.0587 2038.9596 1960.8193 120.1644 -206354.6676 17947.9386 0.0000 0.0000 34334.6879 -149225.0390 299.8534 -183559.7269 -149126.4434 299.4773 82.8262 112.5845 557672.0036 -13.5790 -13.4563 PRESSURE: 1845000 80.6295 -14.082 -81.9111 -14.0814 -183.844 -43.1264 -81.9108 -43.1266 175.266 GPRESSURE: 1845000 91.4343 -7.26274 -136.628 -10.294 -141.763 10.437 -56.4477 27.635 221.563 PRESSAVG: 1845000 -29.592 0.0967216 -56.3765 0.0968793 43.1865 -8.01358 -56.3765 -8.0136 -38.9079 GPRESSAVG: 1845000 -29.9763 -0.333842 -57.1006 -0.441309 42.4646 -8.94882 -57.3182 -7.87037 -38.095 TIMING: 1845000 CPU: 5355.86, 0.00290933/step Wall: 5355.86, 0.00290933/step, 2.5497 hours remaining, 208.453125 MB of memory in use. ENERGY: 1845000 769.0484 2050.4793 1973.1083 103.3413 -206308.1908 18106.4709 0.0000 0.0000 34164.3187 -149141.4240 298.3655 -183305.7427 -149048.5810 299.6296 24.0171 57.0781 559340.8082 -8.4378 -8.5356 PRESSURE: 1845200 29.405 69.3234 73.8384 69.3257 123.535 -71.5177 73.8388 -71.5177 -210.16 GPRESSURE: 1845200 25.8892 93.787 108.252 59.044 131.231 -45.6266 46.2262 -12.6035 -109.272 PRESSAVG: 1845200 -26.1135 0.896729 32.5929 0.896724 25.7215 -42.3864 32.5929 -42.3865 -5.97003 GPRESSAVG: 1845200 -26.7028 2.17416 33.3568 0.288957 26.3465 -41.9597 33.364 -44.8192 -5.871 TIMING: 1845200 CPU: 5356.45, 0.00290896/step Wall: 5356.45, 0.00290896/step, 2.54922 hours remaining, 208.453125 MB of memory in use. ENERGY: 1845200 749.5740 2103.5503 1933.0847 102.1065 -206359.0631 17909.0131 0.0000 0.0000 34181.8828 -149379.8518 298.5189 -183561.7345 -149285.0207 298.9571 -19.0733 15.9493 557510.6325 -2.1207 -2.0758 PRESSURE: 1845400 -111.163 1.9299 93.9092 1.9299 41.2173 47.5259 93.9093 47.5255 -244.963 GPRESSURE: 1845400 -103.003 59.9909 106.965 -23.6622 30.1688 -31.3942 85.1865 3.23781 -149.208 PRESSAVG: 1845400 -44.7412 -90.4875 29.7967 -90.4875 -15.2102 -2.59046 29.7967 -2.59052 34.9184 GPRESSAVG: 1845400 -44.3612 -90.8234 30.216 -89.8314 -15.5655 -5.28526 27.3785 0.688692 34.644 TIMING: 1845400 CPU: 5357.03, 0.00291175/step Wall: 5357.03, 0.00291175/step, 2.5515 hours remaining, 208.453125 MB of memory in use. ENERGY: 1845400 723.1647 2064.3160 1933.4151 110.3202 -206119.2902 17655.5930 0.0000 0.0000 34185.4862 -149446.9950 298.5504 -183632.4812 -149348.5614 298.4904 -104.9695 -74.0141 556663.0336 -8.3443 -8.4276 PRESSURE: 1845600 -187.359 84.3156 -12.4522 84.3149 114.27 193.512 -12.454 193.511 181.404 GPRESSURE: 1845600 -170.134 12.3652 -35.2843 130.395 152.997 223.295 15.764 171.45 237.314 PRESSAVG: 1845600 -2.14038 -9.49468 -7.61247 -9.49461 -30.5548 20.2239 -7.61245 20.2239 31.2389 GPRESSAVG: 1845600 -2.52028 -11.1675 -7.60356 -10.2383 -30.5973 20.3761 -5.58334 18.3678 31.0489 TIMING: 1845600 CPU: 5357.61, 0.00289789/step Wall: 5357.61, 0.00289789/step, 2.5392 hours remaining, 208.632812 MB of memory in use. ENERGY: 1845600 763.8655 2086.8201 1938.2900 112.3758 -206604.4893 17966.9545 0.0000 0.0000 34386.6017 -149349.5818 300.3067 -183736.1835 -149259.5682 298.3370 36.1048 73.3924 556370.6978 -0.4854 -0.6896 PRESSURE: 1845800 -228.146 31.6516 -63.3466 31.6532 -67.0495 -46.3719 -63.3468 -46.3701 69.2765 GPRESSURE: 1845800 -202.686 79.2228 -88.8933 57.6788 -51.7025 -130.981 -42.2424 2.28772 129.687 PRESSAVG: 1845800 -27.8032 -5.9313 4.44937 -5.93139 70.5975 5.44051 4.44933 5.44047 -4.31537 GPRESSAVG: 1845800 -27.195 -3.84746 4.15415 -6.06427 70.7673 9.43481 4.31238 4.23415 -5.05945 TIMING: 1845800 CPU: 5358.19, 0.00288868/step Wall: 5358.19, 0.00288868/step, 2.53097 hours remaining, 208.632812 MB of memory in use. ENERGY: 1845800 768.8260 2090.3470 1959.3299 113.5014 -206249.8716 17753.7693 0.0000 0.0000 34269.2010 -149294.8969 299.2815 -183564.0979 -149198.9181 299.0840 -75.3063 -41.5671 556615.2138 12.8263 12.8376 PRESSURE: 1846000 -119.995 -25.9333 18.8297 -25.934 -244.316 -74.956 18.8288 -74.9579 -188.311 GPRESSURE: 1846000 -92.0175 -37.033 4.55094 -70.6591 -191.486 -73.4906 -51.2162 -51.566 -168.512 PRESSAVG: 1846000 30.2578 33.1077 -12.133 33.1076 -53.4651 -22.3302 -12.133 -22.3303 -13.0882 GPRESSAVG: 1846000 30.9448 32.4932 -12.1555 33.1138 -54.3038 -23.3672 -11.8138 -21.4052 -12.7359 TIMING: 1846000 CPU: 5358.77, 0.00291137/step Wall: 5358.77, 0.00291137/step, 2.55068 hours remaining, 208.632812 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: 1846000 740.1367 2126.4613 1961.6589 112.5350 -205864.6767 17627.4478 0.0000 0.0000 34223.2171 -149073.2199 298.8799 -183296.4370 -148982.5694 299.2005 -184.2073 -150.6718 558963.6262 -12.0985 -12.0316 PRESSURE: 1846200 128.632 31.159 -17.7299 31.1596 54.5027 -26.8046 -17.7308 -26.8056 -97.8817 GPRESSURE: 1846200 139.18 128.01 -16.5295 21.3418 63.1133 36.2042 -48.7885 -19.753 -21.3146 PRESSAVG: 1846200 33.377 37.4677 -26.0719 37.4677 8.66049 54.2073 -26.0719 54.2072 -28.6737 GPRESSAVG: 1846200 33.2135 37.057 -24.1545 37.7667 8.59803 55.1711 -27.6348 54.9754 -28.0931 TIMING: 1846200 CPU: 5359.35, 0.00289131/step Wall: 5359.35, 0.00289131/step, 2.53295 hours remaining, 208.632812 MB of memory in use. ENERGY: 1846200 700.6458 2062.8304 1992.7068 119.8388 -206185.7030 17739.8068 0.0000 0.0000 34230.4400 -149339.4344 298.9429 -183569.8744 -149245.0189 299.6196 28.4176 60.3262 558038.6905 4.4546 4.5728 PRESSURE: 1846400 -182.123 201.359 -19.5251 201.359 -93.179 -210.204 -19.525 -210.204 -87.8724 GPRESSURE: 1846400 -143.464 159.951 -50.4901 192.607 -56.0103 -126.032 -20.8022 -201.405 -66.6214 PRESSAVG: 1846400 22.5334 24.0485 4.42009 24.0485 -34.4871 -24.6682 4.42011 -24.6681 2.8703 GPRESSAVG: 1846400 22.3681 23.167 2.58673 23.7864 -33.9876 -25.7844 5.87088 -25.1274 1.95781 TIMING: 1846400 CPU: 5359.92, 0.00288805/step Wall: 5359.92, 0.00288805/step, 2.52993 hours remaining, 208.632812 MB of memory in use. ENERGY: 1846400 748.3097 2061.1430 1957.2883 117.1492 -206174.6575 17745.4759 0.0000 0.0000 34242.7229 -149302.5685 299.0502 -183545.2914 -149205.5414 299.0091 -121.0581 -88.6986 558720.1650 -3.0278 -3.2206 PRESSURE: 1846600 -13.8464 -134.309 -19.4114 -134.309 18.4349 -30.1255 -19.4112 -30.1255 -25.3005 GPRESSURE: 1846600 -14.1841 -126.628 -110.52 -106.176 45.8738 -100.047 90.2693 -6.18862 64.1736 PRESSAVG: 1846600 27.9659 -19.9861 -44.3778 -19.986 25.1078 -69.8957 -44.3778 -69.8957 -66.9177 GPRESSAVG: 1846600 27.6636 -21.5849 -44.5736 -18.8721 25.3013 -69.2881 -44.6632 -70.5541 -66.2461 TIMING: 1846600 CPU: 5360.5, 0.00289569/step Wall: 5360.5, 0.00289569/step, 2.53646 hours remaining, 208.632812 MB of memory in use. ENERGY: 1846600 734.4167 2074.5026 1987.0443 114.9808 -206409.9939 18045.5179 0.0000 0.0000 34427.8966 -149025.6349 300.6674 -183453.5315 -148927.1368 299.4784 -6.9040 31.9544 558590.5442 -4.6147 -4.4270 PRESSURE: 1846800 -36.3476 101.079 -7.0133 101.079 -118.378 -86.2182 -7.01395 -86.2179 66.8887 GPRESSURE: 1846800 20.7428 139.532 -33.5209 99.1236 -71.9296 -93.5642 11.6447 -73.9326 70.1711 PRESSAVG: 1846800 -21.5382 -32.9524 -6.44597 -32.9525 -32.7528 -15.0009 -6.44594 -15.001 69.524 GPRESSAVG: 1846800 -21.7512 -30.5952 -6.32945 -33.6615 -33.5106 -14.8681 -6.11211 -14.087 70.813 TIMING: 1846800 CPU: 5361.08, 0.00290262/step Wall: 5361.08, 0.00290262/step, 2.54237 hours remaining, 208.632812 MB of memory in use. ENERGY: 1846800 728.4621 2011.4068 1966.8364 114.7752 -206118.5674 17844.9361 0.0000 0.0000 34287.1017 -149165.0491 299.4378 -183452.1508 -149071.0350 299.8831 -29.2788 6.3281 556900.5593 5.0777 5.1837 PRESSURE: 1847000 -11.7399 29.4736 98.0717 29.4741 210.905 50.2276 98.0709 50.2273 14.738 GPRESSURE: 1847000 19.6691 66.1744 95.6939 -14.681 280.16 116.87 56.2081 70.4702 23.5033 PRESSAVG: 1847000 36.394 -12.1279 39.068 -12.1279 31.6285 13.8348 39.0681 13.8347 -51.7941 GPRESSAVG: 1847000 36.8452 -11.2333 39.5493 -13.0172 32.6173 13.2032 37.7801 13.5404 -53.7419 TIMING: 1847000 CPU: 5361.67, 0.00291305/step Wall: 5361.67, 0.00291305/step, 2.55134 hours remaining, 208.632812 MB of memory in use. ENERGY: 1847000 696.3990 2056.9453 1970.7611 110.5191 -206191.4671 17897.8594 0.0000 0.0000 34374.9266 -149084.0566 300.2048 -183458.9832 -148985.4033 299.1561 71.3009 107.7775 557619.5021 5.4095 5.2402 PRESSURE: 1847200 191.676 -204.803 64.5617 -204.803 -248.702 95.2389 64.5614 95.2415 133.452 GPRESSURE: 1847200 236.452 -148.882 12.2867 -114.035 -183.845 74.2677 91.4255 81.7187 121.865 PRESSAVG: 1847200 10.3083 -7.70863 -5.04132 -7.70855 -4.554 39.6936 -5.0414 39.6936 -37.3664 GPRESSAVG: 1847200 10.6892 -8.24851 -5.37248 -5.65725 -5.97045 39.3669 -5.71717 39.844 -36.7866 TIMING: 1847200 CPU: 5362.24, 0.00289311/step Wall: 5362.24, 0.00289311/step, 2.53372 hours remaining, 208.632812 MB of memory in use. ENERGY: 1847200 736.3234 2107.8116 1980.9650 121.8763 -206497.6886 17936.1972 0.0000 0.0000 34361.5309 -149252.9843 300.0878 -183614.5152 -149153.5698 299.8581 25.4755 58.1574 557731.3679 -10.5374 -10.6893 PRESSURE: 1847400 4.40123 -22.6039 -29.5795 -22.6043 -98.6884 -5.65488 -29.5797 -5.65556 -407.194 GPRESSURE: 1847400 -17.2897 -13.9984 -15.0775 -53.524 -28.8804 -17.032 -60.9368 27.5275 -365.671 PRESSAVG: 1847400 24.357 3.87757 28.8863 3.87747 24.2325 28.5643 28.8864 28.5643 -41.7509 GPRESSAVG: 1847400 24.3081 3.80765 28.8906 3.31181 24.781 28.6512 31.4127 30.4096 -41.9426 TIMING: 1847400 CPU: 5362.82, 0.00286591/step Wall: 5362.82, 0.00286591/step, 2.50974 hours remaining, 208.632812 MB of memory in use. ENERGY: 1847400 735.0262 2062.3966 1984.0536 122.3310 -205891.0410 17544.3526 0.0000 0.0000 34288.4114 -149154.4696 299.4492 -183442.8810 -149048.9790 299.4499 -167.1604 -137.2802 557434.6198 2.2795 2.3821 PRESSURE: 1847600 155.505 83.2955 -9.36951 83.2946 -92.5082 74.339 -9.3682 74.3382 235.25 GPRESSURE: 1847600 206.774 34.5628 19.6855 90.8193 -20.1432 74.7944 -17.3434 70.3054 229.377 PRESSAVG: 1847600 29.6465 -9.11679 49.2409 -9.11682 -78.4747 37.4419 49.241 37.442 51.453 GPRESSAVG: 1847600 29.4647 -9.10596 49.8051 -9.13972 -78.6297 37.4669 45.9728 35.7409 51.8805 TIMING: 1847600 CPU: 5363.39, 0.0028847/step Wall: 5363.39, 0.0028847/step, 2.52604 hours remaining, 208.632812 MB of memory in use. ENERGY: 1847600 763.5176 2029.7627 1963.1300 112.0197 -205967.3700 18020.2371 0.0000 0.0000 34062.2425 -149016.4605 297.4740 -183078.7030 -148921.8865 299.5895 99.4154 138.6693 557282.8212 0.8749 0.9052 PRESSURE: 1847800 14.2407 49.2232 -12.4212 49.223 -36.222 -158.623 -12.4207 -158.623 -300.387 GPRESSURE: 1847800 50.5921 99.4925 63.9974 5.81424 -26.569 -77.6938 -72.3833 -139.219 -251.58 PRESSAVG: 1847800 5.14413 21.331 -5.27498 21.3311 -26.3296 29.3584 -5.27496 29.3584 34.3815 GPRESSAVG: 1847800 5.49611 22.9168 -3.57049 21.0073 -26.7478 29.1559 -6.47335 30.0867 34.3596 TIMING: 1847800 CPU: 5363.97, 0.00289569/step Wall: 5363.97, 0.00289569/step, 2.5355 hours remaining, 208.632812 MB of memory in use. ENERGY: 1847800 755.6407 2112.4995 1983.8369 121.6585 -206008.4398 17725.9309 0.0000 0.0000 34276.6670 -149032.2062 299.3467 -183308.8731 -148933.8161 299.3265 -107.4560 -75.8524 558030.9637 4.3987 4.3693 PRESSURE: 1848000 -107.586 44.8507 3.5513 44.8503 202.578 19.7422 3.55112 19.7419 -308.459 GPRESSURE: 1848000 -36.4973 -2.79687 -10.9708 117.202 217.71 -36.2107 39.973 15.6756 -305.665 PRESSAVG: 1848000 15.6671 17.2552 -5.32802 17.2552 22.6413 -4.52579 -5.32798 -4.52579 -17.7428 GPRESSAVG: 1848000 15.4261 15.9723 -7.70236 18.1343 22.4903 -5.81918 -1.40933 -2.19914 -17.638 TIMING: 1848000 CPU: 5364.55, 0.002901/step Wall: 5364.55, 0.002901/step, 2.53998 hours remaining, 208.632812 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: 1848000 732.1617 2124.2434 1969.3286 106.4041 -205583.9406 17558.3769 0.0000 0.0000 34017.0459 -149076.3799 297.0793 -183093.4258 -148978.9997 299.7160 -71.1558 -41.4842 557024.9372 6.8552 6.7595 PRESSURE: 1848200 163.428 -5.90091 55.2576 -5.90113 -152.048 150.915 55.2577 150.915 -90.8347 GPRESSURE: 1848200 147.083 -21.8469 -21.3404 -78.658 -57.7624 57.3873 118.488 114.834 -70.2252 PRESSAVG: 1848200 11.7693 52.8795 1.85598 52.8795 37.6624 25.5332 1.85599 25.5333 -74.0178 GPRESSAVG: 1848200 11.0773 52.0334 2.68858 51.9091 39.4873 25.8864 -0.626683 21.8002 -74.9304 TIMING: 1848200 CPU: 5365.13, 0.00290079/step Wall: 5365.13, 0.00290079/step, 2.53964 hours remaining, 208.632812 MB of memory in use. ENERGY: 1848200 772.1638 2103.1656 1974.7583 115.3581 -205761.7094 17770.9553 0.0000 0.0000 34242.4616 -148782.8467 299.0479 -183025.3083 -148689.5921 300.1166 -26.4849 6.3653 558598.8289 -8.1954 -8.1219 LDB: ============= START OF LOAD BALANCING ============== 5368.6 LDB: ============== END OF LOAD BALANCING =============== 5368.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5368.6 LDB: ============= START OF LOAD BALANCING ============== 5368.89 LDB: Largest compute 4820 load 0.030274 is 25.7% of average load 0.117757 LDB: Average compute 0.001719 is 1.5% of average load 0.117757 LDB: TIME 5368.89 LOAD: AVG 0.117757 MAX 0.180113 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.117 MB LDB: TIME 5368.89 LOAD: AVG 0.117757 MAX 0.180113 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.117 MB LDB: TIME 5368.89 LOAD: AVG 0.117757 MAX 0.180113 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.117 MB LDB: ============== END OF LOAD BALANCING =============== 5368.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5368.9 PRESSURE: 1848400 -131.063 -10.8412 61.894 -10.8408 150.479 87.256 61.8939 87.2553 -81.1009 GPRESSURE: 1848400 -118.353 35.6266 47.7889 -22.7107 180.611 108.835 53.2082 65.3077 -18.2538 PRESSAVG: 1848400 33.7677 -4.66298 19.6785 -4.66308 -6.94918 15.1591 19.6784 15.1592 -50.7642 GPRESSAVG: 1848400 34.0193 -4.15827 19.7662 -4.65141 -8.10686 16.7862 20.7898 16.7949 -49.9778 TIMING: 1848400 CPU: 5365.72, 0.00294686/step Wall: 5365.72, 0.00294686/step, 2.57981 hours remaining, 207.488281 MB of memory in use. ENERGY: 1848400 759.9063 2078.3440 1962.7275 100.7891 -205646.2240 17531.3822 0.0000 0.0000 34469.5347 -148743.5402 301.0310 -183213.0749 -148644.3960 300.3872 -20.5617 14.6680 557336.6093 -7.9819 -8.0218 PRESSURE: 1848600 2.22214 -189.102 130.673 -189.102 -111.94 22.8324 130.673 22.8311 -35.2386 GPRESSURE: 1848600 -10.9454 -224.315 79.528 -164.986 -52.215 63.3472 146.958 36.3874 29.2806 PRESSAVG: 1848600 -60.2341 -34.4712 27.689 -34.4712 -2.57835 1.59142 27.689 1.59141 14.0245 GPRESSAVG: 1848600 -60.96 -35.1579 27.9059 -32.7637 -2.46564 1.61445 29.145 2.21326 14.7056 TIMING: 1848600 CPU: 5366.3, 0.00289652/step Wall: 5366.3, 0.00289652/step, 2.53558 hours remaining, 207.691406 MB of memory in use. ENERGY: 1848600 739.4679 2088.8135 1994.2962 121.8689 -205748.9174 17603.5974 0.0000 0.0000 34423.1325 -148777.7409 300.6258 -183200.8734 -148680.7762 300.0063 -48.3189 -11.2933 559295.5688 -16.2627 -16.2400 PRESSURE: 1848800 -117.846 124.192 12.2431 124.192 -72.6931 8.09388 12.2421 8.09359 -27.7375 GPRESSURE: 1848800 -39.8369 95.9003 -4.48648 155.405 -83.6079 95.8909 -51.1687 -61.1375 -3.94429 PRESSAVG: 1848800 58.8232 14.6437 -12.3971 14.6438 -22.2171 73.6027 -12.397 73.6028 -55.1585 GPRESSAVG: 1848800 58.9141 14.7653 -13.1365 12.7063 -21.4146 72.6499 -13.364 73.2446 -56.1491 TIMING: 1848800 CPU: 5366.88, 0.00289733/step Wall: 5366.88, 0.00289733/step, 2.53613 hours remaining, 207.691406 MB of memory in use. ENERGY: 1848800 779.9942 2071.6913 2009.1336 127.6573 -205823.0887 17805.9738 0.0000 0.0000 34357.3704 -148671.2681 300.0515 -183028.6385 -148577.8532 300.8796 -72.7587 -42.4630 557562.1445 -6.1841 -6.2165 PRESSURE: 1849000 -104.191 85.6845 -61.6371 85.6836 -104.048 31.2066 -61.6374 31.2076 7.79886 GPRESSURE: 1849000 -102.991 -5.02088 -108.514 22.7577 -25.7627 6.80431 -34.3325 177.768 4.37319 PRESSAVG: 1849000 36.4129 35.9471 14.0124 35.9471 -18.2435 83.1383 14.0124 83.1383 -30.4235 GPRESSAVG: 1849000 36.6788 37.7185 14.9873 36.2134 -18.1693 82.9899 14.4973 83.6106 -31.1015 TIMING: 1849000 CPU: 5367.46, 0.00290368/step Wall: 5367.46, 0.00290368/step, 2.54153 hours remaining, 207.691406 MB of memory in use. ENERGY: 1849000 753.9361 2114.8165 1978.7926 106.3466 -205665.2578 17542.9838 0.0000 0.0000 34555.8179 -148612.5643 301.7846 -183168.3823 -148511.4793 300.8349 -66.8133 -41.4603 557547.9533 -4.0847 -4.1973 PRESSURE: 1849200 -46.8906 72.9999 2.67351 73.0015 152.645 -50.138 2.67277 -50.1395 -89.5699 GPRESSURE: 1849200 4.33564 9.24284 17.5161 114.549 158.236 -122.968 31.5735 132.422 -64.3024 PRESSAVG: 1849200 6.56769 -5.81777 6.80525 -5.81792 -8.78507 10.6954 6.80529 10.6956 -37.7035 GPRESSAVG: 1849200 6.41989 -8.53705 7.08152 -3.45779 -10.5966 11.8721 7.1648 8.83536 -35.3225 TIMING: 1849200 CPU: 5368.04, 0.0028776/step Wall: 5368.04, 0.0028776/step, 2.51854 hours remaining, 207.691406 MB of memory in use. ENERGY: 1849200 739.2682 2151.3538 1990.6075 113.8638 -205666.3422 17685.4935 0.0000 0.0000 34363.0172 -148622.7383 300.1008 -182985.7555 -148530.3236 300.5871 5.3950 32.7563 557559.4670 -13.3070 -13.1664 PRESSURE: 1849400 -6.02204 17.8613 69.2134 17.8606 39.7808 110.131 69.2138 110.131 -35.9593 GPRESSURE: 1849400 19.0215 45.3315 151.47 63.146 52.8022 105.264 17.0451 54.7118 8.13108 PRESSAVG: 1849400 25.4688 -12.2615 17.4932 -12.2615 43.8032 35.5708 17.4931 35.5708 -57.0414 GPRESSAVG: 1849400 26.1477 -9.59266 18.1319 -13.1835 46.0813 35.3297 16.7359 36.6733 -59.91 TIMING: 1849400 CPU: 5368.62, 0.00290669/step Wall: 5368.62, 0.00290669/step, 2.54384 hours remaining, 207.691406 MB of memory in use. ENERGY: 1849400 755.4445 2123.9654 1965.9501 118.3043 -205784.9263 17776.3514 0.0000 0.0000 34496.6619 -148548.2487 301.2679 -183044.9106 -148458.2379 300.7358 -0.7335 26.6516 557336.2889 4.0768 4.1064 PRESSURE: 1849600 -197.549 -58.1676 -63.2514 -58.1683 -106.028 23.5158 -63.2505 23.5158 50.483 GPRESSURE: 1849600 -154.285 -20.956 -56.1815 -80.0833 -83.2358 30.5588 -92.265 110.561 72.5191 PRESSAVG: 1849600 37.7604 -19.2382 22.2772 -19.2382 -12.7167 23.068 22.277 23.0681 -51.4761 GPRESSAVG: 1849600 36.6739 -20.016 21.3499 -19.2105 -14.5909 20.4661 19.3353 24.851 -48.4102 TIMING: 1849600 CPU: 5369.2, 0.0029017/step Wall: 5369.2, 0.0029017/step, 2.53931 hours remaining, 207.691406 MB of memory in use. ENERGY: 1849600 751.3072 2093.7926 1980.5847 118.3125 -205557.3029 17486.3613 0.0000 0.0000 34381.8820 -148745.0626 300.2655 -183126.9446 -148649.7191 301.2009 -84.3647 -55.0006 556853.5594 -8.8108 -8.7757 PRESSURE: 1849800 -13.7865 98.2189 113.842 98.2196 134.672 -79.6874 113.842 -79.6899 -93.1411 GPRESSURE: 1849800 27.8478 95.3214 89.8281 82.8706 142.257 -27.6619 162.809 -35.3238 -37.1118 PRESSAVG: 1849800 3.2249 31.6576 31.0651 31.6577 4.39536 -0.266567 31.0651 -0.266563 -8.50337 GPRESSAVG: 1849800 2.52692 32.2763 32.0789 32.9184 5.42535 0.985159 34.0796 -1.57302 -9.46154 TIMING: 1849800 CPU: 5369.78, 0.00289917/step Wall: 5369.78, 0.00289917/step, 2.53694 hours remaining, 207.691406 MB of memory in use. ENERGY: 1849800 742.1609 2130.7617 1965.6374 108.9209 -205760.5659 17746.6025 0.0000 0.0000 34415.3792 -148651.1033 300.5581 -183066.4825 -148551.8863 300.8252 9.2481 44.3308 559225.1928 -0.2944 -0.5031 PRESSURE: 1850000 -100.377 80.9405 -11.3409 80.9402 -185.458 -99.3063 -11.3405 -99.3064 56.2204 GPRESSURE: 1850000 -84.2405 88.6724 -16.6433 100.9 -175.221 -198.843 -59.6472 -33.0574 118.756 PRESSAVG: 1850000 -29.1241 -2.6456 23.4395 -2.6455 11.2234 -3.52392 23.4393 -3.52387 47.5574 GPRESSAVG: 1850000 -27.6648 -3.18817 22.9599 -5.10597 10.5021 -1.11559 23.9065 -4.90354 47.1642 TIMING: 1850000 CPU: 5370.36, 0.002909/step Wall: 5370.36, 0.002909/step, 2.54538 hours remaining, 207.691406 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: 1850000 763.9729 2052.2968 1981.9155 125.8153 -205835.6650 17630.2914 0.0000 0.0000 34522.6261 -148758.7469 301.4947 -183281.3731 -148658.2802 300.7545 -76.5381 -46.9017 557143.6013 9.8856 10.0005 PRESSURE: 1850200 54.4184 136.981 -26.9845 136.981 -82.3766 11.5484 -26.9854 11.549 -143.23 GPRESSURE: 1850200 40.231 153.95 -63.951 157.79 -8.66099 4.71649 39.5608 18.4657 -105.855 PRESSAVG: 1850200 -36.5371 74.4079 23.5508 74.4078 67.4393 7.27531 23.5506 7.2753 -57.9223 GPRESSAVG: 1850200 -37.6327 75.259 24.2718 73.6108 68.5753 3.99849 22.6863 8.2598 -57.4358 TIMING: 1850200 CPU: 5370.94, 0.0028853/step Wall: 5370.94, 0.0028853/step, 2.52448 hours remaining, 207.691406 MB of memory in use. ENERGY: 1850200 763.2402 2111.6368 1949.1584 122.5680 -205877.3839 17673.2686 0.0000 0.0000 34358.7655 -148898.7465 300.0636 -183257.5120 -148805.3724 300.2742 -57.0626 -24.7616 557895.9937 -9.0067 -8.8311 PRESSURE: 1850400 -247.965 54.8825 29.3976 54.8822 99.9125 194.914 29.3966 194.913 50.8245 GPRESSURE: 1850400 -172.768 45.6435 13.68 81.1478 106.564 186.3 37.2048 169.045 65.5834 PRESSAVG: 1850400 -54.0332 18.3249 4.54821 18.3249 2.46737 20.2995 4.54822 20.2996 30.1119 GPRESSAVG: 1850400 -52.6956 17.8819 4.89119 18.8061 1.35166 23.8072 2.06865 18.9294 29.1877 TIMING: 1850400 CPU: 5371.52, 0.00288428/step Wall: 5371.52, 0.00288428/step, 2.52342 hours remaining, 207.691406 MB of memory in use. ENERGY: 1850400 719.3720 2126.2242 1965.2134 115.3383 -205608.8234 17399.4418 0.0000 0.0000 34248.5841 -149034.6496 299.1014 -183283.2338 -148944.4329 299.8284 -32.4093 -0.2067 556812.1677 -7.1513 -7.3854 PRESSURE: 1850600 -114.762 86.5824 -21.061 86.5832 -356.917 1.17112 -21.0611 1.16925 12.8539 GPRESSURE: 1850600 -101.559 -3.6426 37.1656 75.4577 -280.472 -90.7642 -66.8213 22.18 19.8103 PRESSAVG: 1850600 -88.2937 42.7751 -34.7905 42.7751 -0.073319 32.843 -34.7905 32.843 77.9051 GPRESSAVG: 1850600 -88.6637 42.2794 -34.63 43.4961 0.304163 31.5349 -33.295 35.6705 77.7818 TIMING: 1850600 CPU: 5372.1, 0.00291937/step Wall: 5372.1, 0.00291937/step, 2.55396 hours remaining, 207.691406 MB of memory in use. ENERGY: 1850600 750.0857 2130.3100 1974.6536 116.8298 -205711.9562 17468.5968 0.0000 0.0000 34239.0193 -149032.4609 299.0179 -183271.4803 -148932.4790 299.5468 -152.9416 -120.7404 556278.9299 -3.4873 -3.5259 PRESSURE: 1850800 35.5191 6.19715 220.621 6.19684 -50.4704 -149.663 220.622 -149.663 -8.85796 GPRESSURE: 1850800 63.0137 -45.2751 170.888 91.3258 -52.8325 -165.866 273.266 -33.3747 63.4369 PRESSAVG: 1850800 -9.03318 12.5242 14.4324 12.5242 1.99866 -53.0849 14.4324 -53.0848 16.9984 GPRESSAVG: 1850800 -8.6034 13.1364 14.58 13.1085 2.79626 -53.7227 15.9172 -53.305 16.4916 TIMING: 1850800 CPU: 5372.68, 0.00290353/step Wall: 5372.68, 0.00290353/step, 2.53994 hours remaining, 207.691406 MB of memory in use. ENERGY: 1850800 748.7502 2103.7774 1976.8940 119.3742 -205926.3981 17802.3794 0.0000 0.0000 34361.4861 -148813.7368 300.0874 -183175.2229 -148723.2751 300.1272 -7.9364 24.5394 558390.4897 3.3213 3.5615 PRESSURE: 1851000 156.621 77.862 55.195 77.8623 196.437 112.193 55.1962 112.192 316.438 GPRESSURE: 1851000 208.765 47.2821 140.679 70.8824 239.223 122.102 3.13434 97.0156 335.677 PRESSAVG: 1851000 63.9662 -4.74726 56.8494 -4.7472 -53.5705 22.2639 56.8494 22.2638 6.44279 GPRESSAVG: 1851000 63.455 -4.35145 55.5754 -5.88677 -53.6704 21.9169 54.4109 22.1897 7.16784 TIMING: 1851000 CPU: 5373.26, 0.00291667/step Wall: 5373.26, 0.00291667/step, 2.55128 hours remaining, 207.691406 MB of memory in use. ENERGY: 1851000 723.4055 2025.4068 1945.8771 104.6117 -206349.3178 18270.3878 0.0000 0.0000 34566.4998 -148713.1291 301.8778 -183279.6289 -148613.5380 300.4503 223.1654 261.2218 556923.0855 5.6128 5.6508 PRESSURE: 1851200 26.9122 -36.1238 85.3776 -36.1226 66.4363 33.344 85.3791 33.3448 -315.758 GPRESSURE: 1851200 52.3114 -125.253 96.5449 25.6453 123.575 40.7706 82.9654 16.3786 -286.749 PRESSAVG: 1851200 7.98045 -17.745 49.8185 -17.7451 61.0743 -28.3881 49.8186 -28.3881 -68.2144 GPRESSAVG: 1851200 6.94408 -17.0671 49.464 -17.7429 62.2828 -25.6932 51.1768 -30.0908 -68.6553 TIMING: 1851200 CPU: 5373.84, 0.00288655/step Wall: 5373.84, 0.00288655/step, 2.52477 hours remaining, 207.691406 MB of memory in use. ENERGY: 1851200 718.9234 2058.4739 1958.9830 117.5786 -205883.9411 17708.5691 0.0000 0.0000 34472.1693 -148849.2438 301.0540 -183321.4130 -148743.7981 300.5176 -74.1363 -36.9544 557638.8649 0.2801 0.1905 PRESSURE: 1851400 -261.507 -44.6375 70.9047 -44.6378 -411.351 -78.0656 70.9051 -78.0658 14.7034 GPRESSURE: 1851400 -227.035 9.63871 -7.87003 -68.9632 -364.743 -26.7389 99.3385 -160.711 25.1374 PRESSAVG: 1851400 -6.26552 -11.3934 29.9833 -11.3934 3.32753 -29.4353 29.9834 -29.4354 -24.0843 GPRESSAVG: 1851400 -4.83764 -11.605 30.3701 -11.7271 1.29781 -32.4568 29.1127 -27.5499 -23.7363 TIMING: 1851400 CPU: 5374.42, 0.00287646/step Wall: 5374.42, 0.00287646/step, 2.51579 hours remaining, 207.691406 MB of memory in use. ENERGY: 1851400 744.6364 2028.0111 1945.9603 108.3263 -205675.8136 17530.7082 0.0000 0.0000 34408.1215 -148910.0498 300.4947 -183318.1713 -148809.9666 300.9119 -219.3851 -188.8801 558257.0498 -9.0074 -9.0920 PRESSURE: 1851600 61.316 -82.2576 -70.2492 -82.2568 -0.827984 109.612 -70.2493 109.612 219.399 GPRESSURE: 1851600 91.1166 -127.222 -115.333 -79.1204 15.0047 124.046 -85.9619 116.195 275.775 PRESSAVG: 1851600 8.06886 -42.8305 1.31144 -42.8304 1.27073 14.5875 1.31141 14.5876 16.2998 GPRESSAVG: 1851600 8.20434 -42.1855 -0.189576 -41.7622 1.26927 17.8049 3.09638 14.806 16.1625 TIMING: 1851600 CPU: 5374.99, 0.00287059/step Wall: 5374.99, 0.00287059/step, 2.51049 hours remaining, 207.691406 MB of memory in use. ENERGY: 1851600 748.4526 2115.7649 1939.0951 113.7365 -205790.3519 17633.0378 0.0000 0.0000 34249.8182 -148990.4468 299.1122 -183240.2650 -148894.9466 299.8698 93.2958 127.2987 555755.0899 8.5465 8.5454 PRESSURE: 1851800 -183.623 -98.7029 6.02714 -98.7031 -76.5218 72.6967 6.02743 72.6975 319.214 GPRESSURE: 1851800 -89.3647 -172.05 26.6452 -105.741 -36.786 97.4293 -22.7367 8.84877 291.917 PRESSAVG: 1851800 2.55112 -47.5431 -27.5761 -47.5431 -22.5022 -19.4076 -27.576 -19.4075 2.77655 GPRESSAVG: 1851800 1.8803 -48.4357 -26.3619 -47.6765 -22.4127 -20.2167 -29.3075 -21.6451 2.93088 TIMING: 1851800 CPU: 5375.57, 0.00287514/step Wall: 5375.57, 0.00287514/step, 2.51431 hours remaining, 207.691406 MB of memory in use. ENERGY: 1851800 713.4288 2035.5656 1956.1162 110.1471 -205796.6491 17780.3278 0.0000 0.0000 34398.6237 -148802.4398 300.4117 -183201.0636 -148702.4712 299.7870 19.6898 55.2554 558216.7275 -5.7248 -5.8672 PRESSURE: 1852000 -114.179 -13.5199 -75.483 -13.5212 -34.726 19.8305 -75.4835 19.8304 -214.808 GPRESSURE: 1852000 -135.52 14.3007 -124.363 1.80959 35.3382 -12.0396 -32.8842 -35.0236 -167.952 PRESSAVG: 1852000 -47.8494 -57.6328 5.71532 -57.6327 42.2971 19.7283 5.71518 19.7283 24.6223 GPRESSAVG: 1852000 -48.5459 -57.682 5.36432 -58.6363 43.2954 17.9512 6.57961 23.3755 24.2299 TIMING: 1852000 CPU: 5376.14, 0.00289594/step Wall: 5376.14, 0.00289594/step, 2.53234 hours remaining, 207.691406 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: 1852000 760.5040 2079.9169 1961.5052 111.0656 -206006.9984 17739.0248 0.0000 0.0000 34406.3913 -148948.5906 300.4796 -183354.9819 -148855.8537 300.4769 -121.2377 -89.3780 558322.3228 6.3567 6.3265 PRESSURE: 1852200 -42.6614 11.2938 85.3419 11.294 235.627 -9.39207 85.3412 -9.39258 -131.406 GPRESSURE: 1852200 56.5297 76.0232 133.659 -20.9623 241.452 35.746 10.7271 -70.653 -126.946 PRESSAVG: 1852200 -17.9788 -18.9512 10.5029 -18.9512 -21.9131 -9.60844 10.5029 -9.60852 58.1456 GPRESSAVG: 1852200 -17.086 -16.8884 10.2894 -20.4182 -22.1526 -9.09483 10.8314 -11.2466 57.6874 TIMING: 1852200 CPU: 5376.72, 0.00287766/step Wall: 5376.72, 0.00287766/step, 2.5162 hours remaining, 207.691406 MB of memory in use. ENERGY: 1852200 738.0745 2047.3932 1955.5743 116.3380 -206242.4313 17936.4086 0.0000 0.0000 34501.5255 -148947.1172 301.3104 -183448.6427 -148845.3374 300.1783 20.5198 57.0119 557736.1356 6.0845 6.1496 LDB: ============= START OF LOAD BALANCING ============== 5380.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5380.19 LDB: =============== DONE WITH MIGRATION ================ 5380.19 LDB: ============= START OF LOAD BALANCING ============== 5380.48 LDB: Largest compute 4820 load 0.031161 is 26.5% of average load 0.117729 LDB: Average compute 0.001721 is 1.5% of average load 0.117729 LDB: TIME 5380.48 LOAD: AVG 0.117729 MAX 0.179308 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 5380.48 LOAD: AVG 0.117729 MAX 0.179308 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 5380.48 LOAD: AVG 0.117729 MAX 0.179308 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5380.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5380.49 PRESSURE: 1852400 180.991 35.7609 54.3239 35.7604 -187.78 72.7002 54.3238 72.699 -188.795 GPRESSURE: 1852400 229.444 9.95357 118.426 89.2573 -123.849 55.816 1.85857 113.263 -208.036 PRESSAVG: 1852400 -37.9259 63.8699 23.5238 63.8699 36.7392 2.92325 23.5237 2.92321 18.769 GPRESSAVG: 1852400 -38.1348 62.1382 24.2942 66.4223 36.3626 3.04392 21.9043 2.31823 18.9915 TIMING: 1852400 CPU: 5377.31, 0.00295626/step Wall: 5377.31, 0.00295626/step, 2.58476 hours remaining, 206.906250 MB of memory in use. ENERGY: 1852400 759.3088 2089.9939 1960.3427 112.7601 -206103.9721 17992.1841 0.0000 0.0000 34134.1820 -149055.2005 298.1023 -183189.3825 -148965.6087 299.1163 -65.1950 -34.1471 559917.7409 5.8608 5.7398 PRESSURE: 1852600 -316.797 11.6252 -49.5089 11.6257 -11.1433 14.5452 -49.5093 14.5464 -223.193 GPRESSURE: 1852600 -254.984 32.1631 -1.68013 -2.77454 -34.7971 -27.0738 -52.9932 55.008 -162.594 PRESSAVG: 1852600 -11.7356 54.4976 17.23 54.4975 -42.2095 -16.5235 17.2301 -16.5235 -4.93398 GPRESSAVG: 1852600 -13.7804 55.6076 17.848 51.1398 -42.0628 -16.7555 17.9576 -15.2432 -2.85962 TIMING: 1852600 CPU: 5377.89, 0.00289316/step Wall: 5377.89, 0.00289316/step, 2.52943 hours remaining, 206.976562 MB of memory in use. ENERGY: 1852600 762.3160 2097.1307 1969.2707 112.1134 -206301.6972 17811.7204 0.0000 0.0000 34277.9096 -149271.2365 299.3575 -183549.1461 -149177.3774 299.1781 -183.7109 -150.7916 559369.0916 -19.6264 -19.5676 PRESSURE: 1852800 4.03298 45.0428 -128.112 45.042 169.178 -189.634 -128.112 -189.634 -62.3381 GPRESSURE: 1852800 30.0067 -59.8349 -124.129 101.459 206.732 -214.218 -60.2671 -94.6187 -19.5971 PRESSAVG: 1852800 0.129079 34.7948 -56.8315 34.7948 21.626 -3.122 -56.8316 -3.12195 3.55915 GPRESSAVG: 1852800 0.874365 33.8862 -57.8665 37.7694 22.1427 -0.974539 -54.4373 -5.12155 2.7537 TIMING: 1852800 CPU: 5378.46, 0.00286534/step Wall: 5378.46, 0.00286534/step, 2.50495 hours remaining, 207.179688 MB of memory in use. ENERGY: 1852800 734.5820 2135.3131 1972.9584 112.2815 -206599.0780 18066.7707 0.0000 0.0000 34249.5783 -149327.5939 299.1101 -183577.1722 -149238.0027 299.0304 36.9575 72.3804 557673.4886 8.4381 8.5902 PRESSURE: 1853000 -5.82064 -24.9702 -57.1858 -24.9695 -244.056 -61.26 -57.1862 -61.2609 217.473 GPRESSURE: 1853000 81.818 -7.80151 -61.4356 20.3928 -218.737 -18.2959 -145.585 -56.4679 216.799 PRESSAVG: 1853000 58.2918 52.4012 -5.38376 52.4012 43.8693 34.1759 -5.38372 34.176 -49.4119 GPRESSAVG: 1853000 60.7623 52.2021 -4.40409 53.1083 42.5908 32.6661 -7.60329 34.1199 -50.9905 TIMING: 1853000 CPU: 5379.04, 0.00287981/step Wall: 5379.04, 0.00287981/step, 2.51743 hours remaining, 207.179688 MB of memory in use. ENERGY: 1853000 723.2336 2108.5052 1988.5553 118.1032 -206447.2317 17943.7352 0.0000 0.0000 34136.5156 -149428.5836 298.1227 -183565.0992 -149333.6488 298.8941 -10.8012 26.6267 558015.5586 17.5830 17.4542 PRESSURE: 1853200 -5.49935 -181.379 -4.99259 -181.378 -398.46 -52.7063 -4.99382 -52.7072 71.8552 GPRESSURE: 1853200 32.367 -176.561 -93.5385 -124.991 -359.834 -156.372 67.3028 45.1808 91.3018 PRESSAVG: 1853200 38.9496 -10.1331 -75.8787 -10.133 -80.0066 1.17665 -75.8788 1.17669 17.0712 GPRESSAVG: 1853200 36.1498 -10.5846 -75.6681 -10.9918 -78.626 0.188141 -75.7741 1.10662 18.6109 TIMING: 1853200 CPU: 5379.62, 0.00289294/step Wall: 5379.62, 0.00289294/step, 2.52876 hours remaining, 207.179688 MB of memory in use. ENERGY: 1853200 751.0274 2103.4162 1971.2608 114.1657 -206148.3889 17660.8174 0.0000 0.0000 34222.2508 -149325.4506 298.8714 -183547.7014 -149232.3575 298.9183 -110.7013 -78.7218 558279.7469 -7.9953 -7.9551 PRESSURE: 1853400 -68.4781 -13.1793 98.8982 -13.1795 -97.7842 -79.4093 98.8983 -79.4093 -95.462 GPRESSURE: 1853400 -5.87956 53.2925 112.18 46.4144 -78.4319 -127.479 50.3587 -29.5191 -77.3816 PRESSAVG: 1853400 -16.6358 -9.20337 16.4427 -9.20334 -10.4943 35.1791 16.4427 35.1791 -10.2541 GPRESSAVG: 1853400 -14.9368 -8.22271 16.0667 -8.84563 -11.1067 36.3081 15.4539 36.4896 -11.0881 TIMING: 1853400 CPU: 5380.19, 0.00287652/step Wall: 5380.19, 0.00287652/step, 2.51424 hours remaining, 207.179688 MB of memory in use. ENERGY: 1853400 774.2670 2125.0755 1946.9775 111.5127 -206669.3840 17917.5960 0.0000 0.0000 34443.6159 -149350.3394 300.8047 -183793.9552 -149252.9268 298.7710 -87.2414 -53.8977 558058.2620 -12.4614 -12.3772 PRESSURE: 1853600 -45.4049 -99.7778 78.3859 -99.7783 -192.879 -5.04901 78.3855 -5.04991 -137.817 GPRESSURE: 1853600 -6.27707 -75.8571 111.35 -165.048 -147.956 -80.5877 21.8468 113.471 -114.55 PRESSAVG: 1853600 -13.9232 44.1419 40.1322 44.1419 -15.6225 -8.65006 40.1321 -8.65002 16.3839 GPRESSAVG: 1853600 -13.3309 42.4117 39.1944 44.6812 -16.3458 -10.0451 42.2939 -8.88378 16.9027 TIMING: 1853600 CPU: 5380.77, 0.00288265/step Wall: 5380.77, 0.00288265/step, 2.51944 hours remaining, 207.179688 MB of memory in use. ENERGY: 1853600 722.6169 2104.4229 1930.5791 115.9224 -205996.1754 17600.8290 0.0000 0.0000 34104.4635 -149417.3417 297.8428 -183521.8051 -149319.9326 298.5299 -125.3671 -89.5944 558021.1457 -4.3873 -4.2580 PRESSURE: 1853800 118.084 -115.809 23.8481 -115.809 84.2922 -147.793 23.8482 -147.794 -218.037 GPRESSURE: 1853800 170.955 -204.547 91.1389 -104.555 108.058 -119.838 -6.93137 -190.898 -181.813 PRESSAVG: 1853800 -25.8498 29.9909 30.263 29.9909 1.72315 9.57375 30.263 9.57374 9.26362 GPRESSAVG: 1853800 -27.1053 31.8192 31.2582 27.9112 2.93266 11.044 29.2517 8.93733 9.60335 TIMING: 1853800 CPU: 5381.35, 0.00288814/step Wall: 5381.35, 0.00288814/step, 2.52407 hours remaining, 207.179688 MB of memory in use. ENERGY: 1853800 782.0740 2100.3041 1967.0450 116.7713 -206725.0384 18088.1519 0.0000 0.0000 34290.2788 -149380.4134 299.4655 -183670.6922 -149284.8534 298.0790 -5.2203 32.4002 557919.9026 -4.9543 -4.8564 PRESSURE: 1854000 -143.933 31.3835 8.36026 31.3836 -153.678 104.051 8.36079 104.052 -15.4698 GPRESSURE: 1854000 -90.6964 -68.9485 -17.3345 23.332 -127.644 52.6272 -3.97459 170.686 -9.82055 PRESSAVG: 1854000 5.98763 -19.4088 4.62 -19.4088 51.0357 7.81953 4.62002 7.81952 -49.8592 GPRESSAVG: 1854000 7.30383 -21.9977 3.23377 -18.039 50.3251 7.35525 4.3443 8.93946 -50.1314 TIMING: 1854000 CPU: 5381.93, 0.00291754/step Wall: 5381.93, 0.00291754/step, 2.54961 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1854000 770.9764 2116.8602 1958.0258 123.6568 -205911.4727 17702.4261 0.0000 0.0000 34046.1478 -149193.3796 297.3335 -183239.5274 -149087.5004 298.3334 -104.3603 -76.0538 558318.2266 2.3881 2.4992 PRESSURE: 1854200 205.203 51.1598 123.021 51.1599 -189.98 -11.2363 123.021 -11.2349 33.0486 GPRESSURE: 1854200 257.275 -46.9163 73.9711 89.65 -196.928 -52.997 182.83 56.0497 97.9526 PRESSAVG: 1854200 -26.9549 18.7565 23.1376 18.7564 -10.8708 -9.66974 23.1376 -9.66973 12.5341 GPRESSAVG: 1854200 -27.4534 19.7924 25.1537 18.3554 -9.47212 -9.32764 23.0194 -11.7832 11.7953 TIMING: 1854200 CPU: 5382.51, 0.00289911/step Wall: 5382.51, 0.00289911/step, 2.53334 hours remaining, 207.179688 MB of memory in use. ENERGY: 1854200 771.7725 2085.0250 1961.9894 110.1643 -206333.2823 17794.7674 0.0000 0.0000 34220.4565 -149389.1072 298.8558 -183609.5637 -149291.2989 298.6073 16.0906 52.7663 556724.1044 -8.4305 -8.3767 PRESSURE: 1854400 -270.509 17.4519 -66.5645 17.4519 225.962 -96.9925 -66.5659 -96.9925 -313.694 GPRESSURE: 1854400 -235.507 30.7224 -28.1453 -62.3623 204.162 -104.367 -97.7256 -137.54 -211.63 PRESSAVG: 1854400 7.7984 -29.346 6.4852 -29.3462 -25.1638 49.7621 6.4853 49.7621 -10.4257 GPRESSAVG: 1854400 8.3615 -30.5742 4.4654 -28.5876 -26.4382 50.7393 7.61363 49.5123 -9.68338 TIMING: 1854400 CPU: 5383.09, 0.00289592/step Wall: 5383.09, 0.00289592/step, 2.53039 hours remaining, 207.179688 MB of memory in use. ENERGY: 1854400 752.6794 2088.2760 1981.2763 115.6918 -206328.5412 17916.9973 0.0000 0.0000 34223.9211 -149249.6992 298.8860 -183473.6203 -149157.1819 298.6024 -119.4136 -80.9917 559128.5824 -9.2637 -9.2533 PRESSURE: 1854600 -306.509 -8.76536 -120.459 -8.76502 -112.648 3.87394 -120.459 3.87199 -231.267 GPRESSURE: 1854600 -298.83 46.7062 -90.9771 75.0064 -28.4254 40.4946 -101.338 7.68382 -225.989 PRESSAVG: 1854600 4.48341 -82.174 -23.7797 -82.1741 25.8597 -28.0077 -23.7797 -28.0078 -21.5398 GPRESSAVG: 1854600 4.39633 -79.9494 -22.5539 -82.0389 26.2043 -28.4063 -24.6814 -27.1325 -22.0645 TIMING: 1854600 CPU: 5383.67, 0.00289274/step Wall: 5383.67, 0.00289274/step, 2.52745 hours remaining, 207.179688 MB of memory in use. ENERGY: 1854600 774.0242 2118.8491 1963.3837 109.2209 -205978.3985 17616.9960 0.0000 0.0000 34349.1378 -149046.7867 299.9796 -183395.9245 -148947.8266 298.3812 -216.8079 -184.4149 559040.9316 2.9345 2.8454 PRESSURE: 1854800 164.843 -83.7416 21.8574 -83.7417 -122.493 -19.5469 21.8576 -19.5471 203.569 GPRESSURE: 1854800 176.045 -110.624 27.3672 -83.103 -36.6797 -48.82 -35.8732 -35.4133 217.57 PRESSAVG: 1854800 -37.2688 -29.076 -7.31578 -29.0761 39.7243 27.0464 -7.31575 27.0464 10.449 GPRESSAVG: 1854800 -37.3939 -28.0862 -8.99589 -30.6568 37.7419 25.9973 -6.56381 28.1095 12.1529 TIMING: 1854800 CPU: 5384.25, 0.00289478/step Wall: 5384.25, 0.00289478/step, 2.52907 hours remaining, 207.179688 MB of memory in use. ENERGY: 1854800 770.9052 2108.3270 1953.3795 112.3365 -206182.3655 17964.3843 0.0000 0.0000 34322.9310 -148950.1021 299.7507 -183273.0331 -148864.8416 299.8150 81.9732 118.9783 557039.8139 4.3015 4.1669 PRESSURE: 1855000 256.939 -20.2112 69.9911 -20.2123 115.076 19.4494 69.9909 19.4495 116.967 GPRESSURE: 1855000 303.489 15.2725 41.6106 -62.4132 96.0867 24.6749 31.8384 -10.115 179.451 PRESSAVG: 1855000 1.79542 1.2382 -23.0763 1.23816 45.7979 -0.216256 -23.0764 -0.216303 -42.0334 GPRESSAVG: 1855000 1.44675 -0.834719 -24.2008 1.8662 46.8439 0.273245 -23.2823 -0.459955 -42.6324 TIMING: 1855000 CPU: 5384.82, 0.00288598/step Wall: 5384.82, 0.00288598/step, 2.52122 hours remaining, 207.179688 MB of memory in use. ENERGY: 1855000 752.6579 2042.4868 1954.2440 108.3388 -206240.3233 18084.9671 0.0000 0.0000 34321.4522 -148976.1765 299.7378 -183297.6287 -148882.1486 300.0808 162.9938 193.0088 557462.3165 1.8533 1.8861 PRESSURE: 1855200 50.0486 -62.1247 301.308 -62.124 14.5641 -134.965 301.307 -134.964 81.9057 GPRESSURE: 1855200 65.3322 -72.2469 260.339 0.809952 115.73 -121.945 324.215 -78.3698 72.0092 PRESSAVG: 1855200 12.2057 -8.60963 40.017 -8.60956 41.427 -15.4727 40.017 -15.4728 -46.6245 GPRESSAVG: 1855200 12.1062 -7.18682 42.4897 -7.84688 42.7229 -15.8473 37.3922 -14.7296 -47.9385 TIMING: 1855200 CPU: 5385.4, 0.00288002/step Wall: 5385.4, 0.00288003/step, 2.51586 hours remaining, 207.179688 MB of memory in use. ENERGY: 1855200 702.5080 2044.5684 1946.6509 116.4543 -205815.9539 17782.3008 0.0000 0.0000 34256.2567 -148967.2147 299.1684 -183223.4714 -148868.0351 299.3245 48.8395 84.3570 558810.3442 2.3361 2.2969 PRESSURE: 1855400 -86.0665 99.0463 130.812 99.0463 -112.648 -115.42 130.812 -115.421 163.613 GPRESSURE: 1855400 -51.0544 22.8432 123.066 118.795 -96.2011 -148.431 137.062 -55.5726 216.851 PRESSAVG: 1855400 -6.25579 57.712 40.3113 57.712 58.9976 -90.2691 40.3113 -90.2691 -40.6238 GPRESSAVG: 1855400 -5.14328 57.384 41.5419 59.2538 57.6892 -88.9023 40.7827 -91.9607 -40.5452 TIMING: 1855400 CPU: 5385.98, 0.00287897/step Wall: 5385.98, 0.00287897/step, 2.51478 hours remaining, 207.179688 MB of memory in use. ENERGY: 1855400 749.3968 2046.9814 1960.4672 111.6251 -206097.2542 17990.8991 0.0000 0.0000 34316.9952 -148920.8893 299.6989 -183237.8845 -148826.5519 299.2427 -11.7005 23.1986 559725.1627 4.0393 4.0003 PRESSURE: 1855600 -307.544 179.92 -26.026 179.92 -67.3459 -43.0636 -26.0252 -43.0634 -85.6173 GPRESSURE: 1855600 -276.357 160.901 -49.735 161.888 -90.9877 -5.36254 -53.7365 -45.6459 -6.05458 PRESSAVG: 1855600 20.2489 35.8033 -17.3743 35.8034 12.4944 -1.02868 -17.3741 -1.0287 -0.776121 GPRESSAVG: 1855600 18.6965 35.3186 -18.6549 33.2429 12.5882 -2.87055 -18.7643 -0.331265 0.840581 TIMING: 1855600 CPU: 5386.56, 0.00290892/step Wall: 5386.56, 0.00290892/step, 2.54078 hours remaining, 207.179688 MB of memory in use. ENERGY: 1855600 758.7897 2081.6642 1983.4378 120.4600 -205754.8001 17686.6925 0.0000 0.0000 34413.3581 -148710.3980 300.5404 -183123.7560 -148626.4720 299.7120 -153.5025 -124.4664 559503.8784 10.6557 10.7084 PRESSURE: 1855800 -34.2751 -48.4847 61.3759 -48.4851 -126.206 -26.0803 61.3767 -26.0807 -108.916 GPRESSURE: 1855800 21.5802 48.7693 173.239 -86.7965 -94.7747 -54.1725 57.6927 -39.8067 -90.9277 PRESSAVG: 1855800 29.0668 2.56353 -8.31519 2.56356 58.1291 -19.9237 -8.31527 -19.9237 -76.6018 GPRESSAVG: 1855800 29.8291 3.8841 -7.41442 1.6023 58.4625 -18.8439 -5.886 -20.5908 -77.5426 TIMING: 1855800 CPU: 5387.14, 0.00290272/step Wall: 5387.14, 0.00290272/step, 2.5352 hours remaining, 207.179688 MB of memory in use. ENERGY: 1855800 717.0683 2069.8266 1986.3317 110.7936 -205761.0609 17607.5918 0.0000 0.0000 34321.6847 -148947.7641 299.7398 -183269.4489 -148844.0617 299.5994 -89.7989 -54.7074 557675.0441 3.5314 3.5830 PRESSURE: 1856000 -222.501 158.215 10.317 158.216 -36.9065 -76.972 10.3162 -76.9722 -447.569 GPRESSURE: 1856000 -199.377 88.1727 -26.5427 101.804 -45.0558 -65.5061 25.1122 -85.5661 -363.315 PRESSAVG: 1856000 -26.63 -17.0838 2.7547 -17.0838 88.3077 0.177953 2.75468 0.178141 -40.61 GPRESSAVG: 1856000 -26.7119 -17.9239 3.10586 -15.3573 88.2271 -2.52921 2.73697 1.79478 -40.6606 TIMING: 1856000 CPU: 5387.71, 0.00288254/step Wall: 5387.71, 0.00288254/step, 2.51742 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1856000 759.4064 2123.5513 1965.1713 128.7153 -205835.7513 17531.8316 0.0000 0.0000 34262.0768 -149064.9988 299.2192 -183327.0755 -148971.4280 299.8484 -235.6590 -202.5825 558103.9898 7.0226 6.9515 PRESSURE: 1856200 -122.2 81.7686 136.374 81.7675 217.083 143.988 136.375 143.989 -126.849 GPRESSURE: 1856200 -103.141 51.9205 155.716 -9.99055 255.461 47.9733 156.489 210.847 -87.228 PRESSAVG: 1856200 -69.083 23.8503 -4.03907 23.8503 71.3451 13.5897 -4.03907 13.5896 0.914088 GPRESSAVG: 1856200 -70.5522 25.5361 -4.39598 22.3687 70.8899 16.2309 -5.65834 14.377 2.83705 TIMING: 1856200 CPU: 5388.29, 0.00288249/step Wall: 5388.29, 0.00288249/step, 2.51722 hours remaining, 207.179688 MB of memory in use. ENERGY: 1856200 717.8776 2084.1302 1975.4550 98.1163 -206086.0966 17803.1923 0.0000 0.0000 34201.3168 -149206.0084 298.6886 -183407.3252 -149101.9203 299.0797 -10.6556 21.6975 557347.3495 1.0587 1.0583 LDB: ============= START OF LOAD BALANCING ============== 5391.76 LDB: ============== END OF LOAD BALANCING =============== 5391.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5391.76 LDB: ============= START OF LOAD BALANCING ============== 5392.05 LDB: Largest compute 4820 load 0.031640 is 26.9% of average load 0.117745 LDB: Average compute 0.001716 is 1.5% of average load 0.117745 LDB: TIME 5392.05 LOAD: AVG 0.117745 MAX 0.176709 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 5392.05 LOAD: AVG 0.117745 MAX 0.176709 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: TIME 5392.05 LOAD: AVG 0.117745 MAX 0.176709 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.582 MB LDB: ============== END OF LOAD BALANCING =============== 5392.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5392.05 PRESSURE: 1856400 -140.272 -172.317 -34.3684 -172.317 200.053 100.053 -34.3683 100.053 106.559 GPRESSURE: 1856400 -45.6287 -171.322 -45.2177 -209.973 192.354 89.5461 -32.6904 150.726 124.776 PRESSAVG: 1856400 -107.187 -36.908 3.50611 -36.908 109.73 67.0239 3.50603 67.0238 -26.3569 GPRESSAVG: 1856400 -105.259 -37.5526 3.60348 -35.6212 110.529 66.9415 2.38193 64.9612 -29.0878 TIMING: 1856400 CPU: 5388.88, 0.00294177/step Wall: 5388.88, 0.00294177/step, 2.56882 hours remaining, 206.386719 MB of memory in use. ENERGY: 1856400 725.9700 2082.2130 1938.6545 106.7550 -206218.3671 17915.1641 0.0000 0.0000 34214.1344 -149235.4761 298.8005 -183449.6105 -149142.0328 298.4525 55.4468 90.5002 555887.5249 -7.9379 -7.9393 PRESSURE: 1856600 -374.392 -135.951 30.1348 -135.949 -95.321 252.367 30.1361 252.366 -157.808 GPRESSURE: 1856600 -365.365 -94.5067 75.2032 -46.3662 -12.9665 254.262 15.9157 262.68 -154.2 PRESSAVG: 1856600 -0.0216531 -18.9165 49.3293 -18.9164 26.3599 -42.7371 49.3293 -42.7372 69.2801 GPRESSAVG: 1856600 -1.30163 -20.7008 50.8782 -18.7364 26.512 -43.5692 48.9418 -42.8365 70.0593 TIMING: 1856600 CPU: 5389.46, 0.00289555/step Wall: 5389.46, 0.00289555/step, 2.5283 hours remaining, 206.582031 MB of memory in use. ENERGY: 1856600 759.4106 2064.6042 1978.7442 117.0144 -205606.9147 17536.3191 0.0000 0.0000 34112.3945 -149038.4277 297.9120 -183150.8222 -148941.8550 299.9676 -209.1738 -177.5106 558224.8527 31.8728 31.7565 PRESSURE: 1856800 -135.27 -192.392 -114.357 -192.392 -126.244 102.174 -114.357 102.175 -7.65164 GPRESSURE: 1856800 -86.7138 -219.269 -79.1536 -150.139 -57.1503 11.5189 -64.8231 143.031 -24.9023 PRESSAVG: 1856800 -1.39299 -69.4036 24.2981 -69.4036 32.6756 33.9185 24.2981 33.9186 6.88768 GPRESSAVG: 1856800 -1.26599 -68.716 22.1197 -69.0263 33.5462 35.1696 27.5514 35.8735 5.56924 TIMING: 1856800 CPU: 5390.04, 0.00289002/step Wall: 5390.04, 0.00289002/step, 2.52331 hours remaining, 206.582031 MB of memory in use. ENERGY: 1856800 753.7977 2063.1871 1987.5271 104.6489 -205701.4321 17426.4131 0.0000 0.0000 34201.9527 -149163.9053 298.6942 -183365.8580 -149078.7985 299.4345 -89.7218 -56.2555 556279.8195 12.7234 12.6165 PRESSURE: 1857000 229.885 -25.522 30.8303 -25.5216 138.626 43.3207 30.831 43.3218 54.3513 GPRESSURE: 1857000 256.802 -58.3795 -18.2053 -67.0892 154.779 93.5182 65.2246 -0.071618 106.312 PRESSAVG: 1857000 -5.91922 -5.79188 -10.7058 -5.79186 -17.7517 22.6615 -10.7058 22.6614 1.27408 GPRESSAVG: 1857000 -6.75206 -2.8767 -8.77662 -6.81723 -18.6965 21.0363 -11.8299 19.4236 3.12783 TIMING: 1857000 CPU: 5390.62, 0.0029142/step Wall: 5390.62, 0.0029142/step, 2.54426 hours remaining, 206.582031 MB of memory in use. ENERGY: 1857000 757.7810 2079.4293 1973.9833 108.2849 -206462.7495 17903.4772 0.0000 0.0000 34226.1336 -149413.6603 298.9053 -183639.7938 -149316.5483 298.5488 140.9539 172.6307 556745.4129 -7.4656 -7.4403 PRESSURE: 1857200 107.263 2.49532 32.8248 2.49564 197.847 -53.6469 32.8232 -53.6476 82.9933 GPRESSURE: 1857200 152.182 43.9125 31.3253 -65.0934 184.39 -34.8105 27.4335 -63.9068 140.667 PRESSAVG: 1857200 -37.219 -13.6992 -46.1239 -13.6993 14.9724 64.5364 -46.1239 64.5364 25.5987 GPRESSAVG: 1857200 -36.554 -15.6122 -46.2716 -13.3198 14.8996 64.0514 -45.5877 66.274 25.1397 TIMING: 1857200 CPU: 5391.2, 0.00289748/step Wall: 5391.2, 0.00289748/step, 2.5295 hours remaining, 206.582031 MB of memory in use. ENERGY: 1857200 795.0797 2121.0688 1966.7317 120.7645 -206978.9314 18195.9939 0.0000 0.0000 34301.9409 -149477.3519 299.5674 -183779.2928 -149384.4844 298.4063 129.3677 159.0799 556632.2894 1.1174 1.1618 PRESSURE: 1857400 -93.6385 88.3385 -13.9729 88.3368 99.8389 -54.625 -13.9717 -54.6255 100.532 GPRESSURE: 1857400 -56.3811 18.8381 -66.9298 14.9044 168.902 -141.066 -30.3699 -80.6499 86.0457 PRESSAVG: 1857400 16.048 1.24105 -2.64393 1.24101 -13.9281 -7.35365 -2.64389 -7.35362 -2.03719 GPRESSAVG: 1857400 15.3882 2.11378 -3.19242 1.00898 -12.652 -8.0703 -5.08255 -6.87736 -2.56671 TIMING: 1857400 CPU: 5391.77, 0.00287695/step Wall: 5391.77, 0.00287695/step, 2.51142 hours remaining, 206.582031 MB of memory in use. ENERGY: 1857400 743.8419 2091.3637 1945.3448 110.6507 -206302.1873 17910.1310 0.0000 0.0000 34265.9035 -149234.9519 299.2527 -183500.8553 -149135.9341 299.1720 35.5773 66.1889 556132.9059 0.0276 0.0565 PRESSURE: 1857600 189.728 -97.2945 -122.044 -97.2957 5.54664 -198.485 -122.044 -198.484 -422.369 GPRESSURE: 1857600 167.082 -132.882 -37.8201 -16.0034 18.3925 -250.027 -54.3791 -168.977 -306.926 PRESSAVG: 1857600 -2.32103 -23.5883 9.34822 -23.5883 3.39777 -71.4515 9.3483 -71.4514 -6.98556 GPRESSAVG: 1857600 -1.04848 -23.6698 8.07032 -21.7099 1.65881 -69.6375 10.6756 -74.0743 -6.9037 TIMING: 1857600 CPU: 5392.35, 0.00287832/step Wall: 5392.35, 0.00287832/step, 2.51245 hours remaining, 206.785156 MB of memory in use. ENERGY: 1857600 764.0060 2067.8762 1953.8937 115.3934 -206098.8044 17715.4307 0.0000 0.0000 34033.0976 -149449.1067 297.2195 -183482.2043 -149356.0862 298.8799 -75.6981 -40.4838 557425.3772 -1.9696 -2.0978 PRESSURE: 1857800 185.5 -35.7997 -135.462 -35.7992 -277.339 -87.6959 -135.461 -87.6961 -14.6204 GPRESSURE: 1857800 249.098 -36.7522 -85.7493 -54.9176 -246.973 -161.505 -187.324 -34.515 -11.7087 PRESSAVG: 1857800 65.1286 33.0199 58.5051 33.0198 -61.98 -53.9124 58.5051 -53.9124 -17.5798 GPRESSAVG: 1857800 64.1527 29.703 59.0997 33.1295 -60.6262 -52.751 59.9208 -51.75 -18.9386 TIMING: 1857800 CPU: 5392.93, 0.00289856/step Wall: 5392.93, 0.00289856/step, 2.52996 hours remaining, 206.785156 MB of memory in use. ENERGY: 1857800 680.0393 2087.2811 1936.1534 105.7902 -206204.7375 17709.2674 0.0000 0.0000 34344.8893 -149341.3169 299.9425 -183686.2062 -149239.8121 298.4869 -35.4866 -3.1945 557809.9188 -4.8104 -5.1374 PRESSURE: 1858000 -80.0988 69.4388 -111.536 69.4409 -90.2055 165.672 -111.536 165.671 -40.1065 GPRESSURE: 1858000 7.22698 87.4499 -186.711 -21.7292 -91.3131 236.833 -103.06 112.031 -33.9587 PRESSAVG: 1858000 -7.75669 16.7957 36.3611 16.7956 -76.8197 28.2857 36.3611 28.2857 58.0875 GPRESSAVG: 1858000 -8.03905 18.2191 35.6284 15.7079 -78.009 27.7574 35.6909 26.9564 59.4016 TIMING: 1858000 CPU: 5393.51, 0.00288895/step Wall: 5393.51, 0.00288895/step, 2.52141 hours remaining, 206.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1858000 757.0440 2143.0009 1978.5542 123.4011 -206436.1971 17849.9832 0.0000 0.0000 34167.0470 -149417.1668 298.3893 -183584.2137 -149326.7587 298.8322 -70.1369 -39.3483 558452.1882 -8.8296 -8.8821 PRESSURE: 1858200 111.407 115.357 166.486 115.357 67.7246 158.075 166.486 158.075 238.845 GPRESSURE: 1858200 175.691 45.9552 164.035 111.299 118.814 2.74186 160.121 261.693 215.011 PRESSAVG: 1858200 -38.4125 0.5001 32.0033 0.500088 -21.2789 65.1071 32.0034 65.107 69.1962 GPRESSAVG: 1858200 -38.1595 0.599754 31.2249 -1.51274 -20.5283 62.4726 32.8963 66.4274 68.9905 TIMING: 1858200 CPU: 5394.09, 0.00288932/step Wall: 5394.09, 0.00288932/step, 2.52157 hours remaining, 206.785156 MB of memory in use. ENERGY: 1858200 735.4997 2085.8133 1989.7492 135.5047 -206689.2537 18042.5907 0.0000 0.0000 34279.0911 -149421.0048 299.3678 -183700.0960 -149321.0764 298.1635 139.3256 169.8387 557590.3653 3.1683 3.4342 PRESSURE: 1858400 95.3588 14.493 -115.684 14.4932 144.63 15.8843 -115.685 15.8857 54.2381 GPRESSURE: 1858400 180.547 25.5702 -107.471 69.3039 132.84 18.5085 -146.123 71.3489 69.4495 PRESSAVG: 1858400 -10.8927 -11.2557 -9.83725 -11.2556 -60.0444 -23.6715 -9.83719 -23.6716 13.2573 GPRESSAVG: 1858400 -11.1167 -6.96553 -8.19976 -12.1725 -59.8357 -21.4842 -10.915 -23.7888 12.6355 TIMING: 1858400 CPU: 5394.66, 0.00289469/step Wall: 5394.66, 0.00289469/step, 2.5261 hours remaining, 206.785156 MB of memory in use. ENERGY: 1858400 754.5279 2121.7231 1974.4703 111.6472 -206691.8734 18107.5081 0.0000 0.0000 34286.9393 -149335.0575 299.4364 -183621.9968 -149232.0731 298.7780 98.0756 127.6121 557403.4759 -19.2266 -19.4390 PRESSURE: 1858600 61.6696 -32.9493 21.9771 -32.9493 -130.259 69.235 21.9767 69.2343 118.639 GPRESSURE: 1858600 48.5926 79.0232 66.3218 -132.22 -35.7396 19.2767 40.9037 39.9611 119.575 PRESSAVG: 1858600 -30.4862 -9.39661 -37.1358 -9.39654 -0.563602 -58.2929 -37.1358 -58.293 37.3811 GPRESSAVG: 1858600 -31.3104 -13.856 -38.5936 -7.54259 -0.119107 -57.136 -36.7229 -58.6463 38.1318 TIMING: 1858600 CPU: 5395.24, 0.00288568/step Wall: 5395.24, 0.00288568/step, 2.51807 hours remaining, 206.785156 MB of memory in use. ENERGY: 1858600 767.2441 2096.5733 1964.0581 126.3250 -206517.9650 17978.8005 0.0000 0.0000 34261.7193 -149323.2446 299.2161 -183584.9639 -149230.2079 298.5940 16.6832 44.1426 557731.5572 2.1105 2.2341 PRESSURE: 1858800 -21.5297 188.895 30.7713 188.895 178.792 -72.9108 30.7703 -72.9121 -155.644 GPRESSURE: 1858800 66.6022 92.1762 -9.15532 310.111 123.229 -19.1948 -22.4291 -48.6103 -82.7493 PRESSAVG: 1858800 0.933839 45.3957 15.6704 45.3957 -36.4744 -18.7539 15.6703 -18.7538 48.9536 GPRESSAVG: 1858800 1.29534 45.6599 17.4401 47.2134 -35.6365 -19.2823 17.4052 -18.3234 47.9265 TIMING: 1858800 CPU: 5395.82, 0.00289785/step Wall: 5395.82, 0.00289785/step, 2.52854 hours remaining, 206.785156 MB of memory in use. ENERGY: 1858800 736.4899 2187.1886 1967.0714 108.8997 -205987.3925 17714.4793 0.0000 0.0000 34002.7740 -149270.4896 296.9547 -183273.2636 -149176.5207 298.7733 0.5394 35.6940 558326.8387 4.4710 4.5284 PRESSURE: 1859000 27.6853 82.3144 3.2627 82.3135 -113.483 -127.485 3.26267 -127.486 126.731 GPRESSURE: 1859000 75.0426 9.32404 29.3894 163.484 -51.1245 -109.817 45.1667 -124.969 120.051 PRESSAVG: 1859000 -6.37622 50.3278 54.0137 50.3278 40.6096 -33.3163 54.0136 -33.3163 -43.5732 GPRESSAVG: 1859000 -7.1528 51.2099 53.2024 48.473 39.8809 -31.9128 54.1085 -33.6729 -42.078 TIMING: 1859000 CPU: 5396.4, 0.00290485/step Wall: 5396.4, 0.00290486/step, 2.53449 hours remaining, 206.785156 MB of memory in use. ENERGY: 1859000 754.7028 2069.7981 1987.3201 108.6723 -206305.3056 17894.7496 0.0000 0.0000 34241.8323 -149248.2304 299.0424 -183490.0627 -149146.8709 298.7917 13.6443 47.9897 558904.4450 -3.1133 -3.1166 PRESSURE: 1859200 -40.472 95.9598 205.207 95.9596 -439.79 -7.32648 205.208 -7.32529 -200.213 GPRESSURE: 1859200 -62.1476 68.2585 91.0203 57.8308 -369.899 -64.9613 257.959 60.7208 -134.371 PRESSAVG: 1859200 5.07157 40.3937 -26.0507 40.3937 6.82172 60.765 -26.0506 60.765 9.21767 GPRESSAVG: 1859200 4.81447 41.0025 -24.8803 40.6242 6.97848 59.4349 -28.1836 62.2562 9.03007 TIMING: 1859200 CPU: 5396.98, 0.00289325/step Wall: 5396.98, 0.00289325/step, 2.5242 hours remaining, 206.785156 MB of memory in use. ENERGY: 1859200 738.2233 2070.9195 1958.5851 101.0518 -205890.1909 17487.4165 0.0000 0.0000 34289.5090 -149244.4858 299.4588 -183533.9948 -149152.0273 298.9528 -226.8249 -188.8058 558005.3098 7.0370 6.9410 PRESSURE: 1859400 -75.2353 -22.1749 -23.5679 -22.1742 -293.076 -124.118 -23.569 -124.118 -261.156 GPRESSURE: 1859400 -66.5194 -5.293 -6.29008 -5.11544 -238.498 -144.888 -69.0855 -75.5484 -223.148 PRESSAVG: 1859400 79.879 29.4586 -13.229 29.4586 -45.4877 44.667 -13.229 44.6669 -37.1043 GPRESSAVG: 1859400 80.1497 29.3707 -13.348 28.9252 -45.3227 46.0508 -12.1065 43.4238 -37.8879 TIMING: 1859400 CPU: 5397.56, 0.00290864/step Wall: 5397.56, 0.00290864/step, 2.53746 hours remaining, 206.785156 MB of memory in use. ENERGY: 1859400 767.5648 2042.8905 1969.6361 120.8521 -206063.1968 17644.3597 0.0000 0.0000 34214.2550 -149303.6386 298.8016 -183517.8936 -149207.5028 298.9692 -209.8224 -176.0549 559340.1827 -0.9043 -1.0203 PRESSURE: 1859600 -184.386 76.9371 -115.15 76.9373 -154.225 66.3918 -115.151 66.3924 -76.6186 GPRESSURE: 1859600 -166.484 12.7341 -134.594 123.856 -92.4727 59.444 -193.91 99.1366 -75.4512 PRESSAVG: 1859600 -27.894 28.4182 0.202518 28.4183 1.37746 65.2704 0.202478 65.2704 21.8676 GPRESSAVG: 1859600 -27.6844 26.9319 -2.69344 28.8966 0.729184 64.0196 0.895304 66.7345 22.2678 TIMING: 1859600 CPU: 5398.14, 0.00290106/step Wall: 5398.14, 0.00290106/step, 2.53069 hours remaining, 206.785156 MB of memory in use. ENERGY: 1859600 774.0083 2141.1334 1979.6122 116.0195 -205977.9431 17679.1656 0.0000 0.0000 34132.2128 -149155.7914 298.0851 -183288.0042 -149065.3895 299.2686 -138.4099 -111.4692 557415.4231 -1.5497 -1.5625 PRESSURE: 1859800 131.144 32.6405 -143.527 32.6404 133.724 89.3933 -143.526 89.3928 154.946 GPRESSURE: 1859800 118.512 26.8537 -130.128 -35.451 161.244 67.9747 -193.063 80.3244 251.128 PRESSAVG: 1859800 34.5279 30.4908 -9.76301 30.4908 -31.4746 19.3274 -9.76304 19.3273 5.49377 GPRESSAVG: 1859800 34.4244 32.5172 -8.6133 28.2549 -31.7706 17.5692 -10.9915 17.6597 5.57363 TIMING: 1859800 CPU: 5398.72, 0.00289852/step Wall: 5398.72, 0.00289852/step, 2.52832 hours remaining, 206.785156 MB of memory in use. ENERGY: 1859800 770.6525 2148.0837 1979.1071 110.7353 -206462.8307 18188.4913 0.0000 0.0000 34022.4761 -149243.2847 297.1267 -183265.7608 -149140.5276 299.6437 139.9379 176.9614 556744.3670 2.8490 2.7425 PRESSURE: 1860000 35.2932 172.003 17.5907 172.003 -206.208 6.84305 17.5918 6.84244 -273.416 GPRESSURE: 1860000 34.0446 203.032 9.98214 205.177 -139.345 -26.3078 41.0356 -60.7941 -223.198 PRESSAVG: 1860000 15.098 2.38822 8.59265 2.38825 11.2275 -43.0141 8.59257 -43.0141 -39.2516 GPRESSAVG: 1860000 15.1934 3.53523 9.64032 3.02357 9.94611 -41.8622 7.43822 -43.1217 -37.9517 TIMING: 1860000 CPU: 5399.31, 0.0029171/step Wall: 5399.31, 0.0029171/step, 2.54436 hours remaining, 206.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1860000 775.4858 2150.1496 1972.9608 113.4524 -206287.5626 17723.5561 0.0000 0.0000 34108.3026 -149443.6552 297.8763 -183551.9578 -149342.4242 298.6474 -148.1103 -109.4996 558229.7104 -4.3087 -4.2707 PRESSURE: 1860200 90.2087 35.0591 -9.06242 35.0581 209.38 -51.2729 -9.06369 -51.2725 232.14 GPRESSURE: 1860200 130.966 70.3164 -43.5127 43.1835 232.302 50.6911 -66.097 7.00202 258.535 PRESSAVG: 1860200 36.2157 46.9215 40.7882 46.9215 51.0157 -10.9794 40.7882 -10.9794 -74.2372 GPRESSAVG: 1860200 38.2669 47.2153 39.8799 49.0101 50.348 -10.4456 42.4513 -10.6005 -75.9065 TIMING: 1860200 CPU: 5399.89, 0.00291265/step Wall: 5399.89, 0.00291265/step, 2.54032 hours remaining, 206.785156 MB of memory in use. ENERGY: 1860200 760.3152 2091.6955 1969.2894 120.4235 -206848.8422 18169.1636 0.0000 0.0000 34339.0453 -149398.9098 299.8914 -183737.9551 -149297.0366 299.0830 177.2430 207.2676 557072.2740 4.3314 4.2361 LDB: ============= START OF LOAD BALANCING ============== 5403.36 LDB: ============== END OF LOAD BALANCING =============== 5403.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5403.36 LDB: ============= START OF LOAD BALANCING ============== 5403.65 LDB: Largest compute 4820 load 0.029513 is 25.1% of average load 0.117683 LDB: Average compute 0.001711 is 1.5% of average load 0.117683 LDB: TIME 5403.65 LOAD: AVG 0.117683 MAX 0.17867 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 5403.65 LOAD: AVG 0.117683 MAX 0.17867 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 5403.65 LOAD: AVG 0.117683 MAX 0.17867 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5403.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5403.66 PRESSURE: 1860400 79.6421 -62.5381 67.1442 -62.5374 -52.8507 -9.51821 67.1431 -9.51861 263.893 GPRESSURE: 1860400 110.013 -57.1213 119.36 -60.1363 15.1489 -101.635 14.8658 50.0203 254.843 PRESSAVG: 1860400 83.5112 0.213985 40.1577 0.214004 -49.9767 7.07815 40.1576 7.07809 -45.3598 GPRESSAVG: 1860400 82.0856 -1.66394 41.6925 -0.926678 -47.6774 7.57602 38.4539 6.45631 -46.092 TIMING: 1860400 CPU: 5400.48, 0.00298015/step Wall: 5400.48, 0.00298015/step, 2.59902 hours remaining, 206.664062 MB of memory in use. ENERGY: 1860400 736.9847 2106.5398 1959.1331 120.3025 -206515.7952 17807.0642 0.0000 0.0000 34410.2912 -149375.4797 300.5136 -183785.7709 -149278.4644 298.8980 96.8947 126.6683 555149.2061 -3.9418 -3.8946 PRESSURE: 1860600 -70.6362 -107.398 -195.469 -107.398 -20.0551 -37.8273 -195.47 -37.827 -220.535 GPRESSURE: 1860600 -66.0241 -126.82 -209.926 -82.4681 13.04 -73.4718 -147.584 33.9924 -157.218 PRESSAVG: 1860600 -35.433 11.0839 22.7181 11.0839 41.3397 -18.6088 22.7179 -18.609 -12.0545 GPRESSAVG: 1860600 -36.1954 12.5179 23.3203 9.9499 40.7249 -20.4715 23.6171 -18.2364 -10.6657 TIMING: 1860600 CPU: 5401.07, 0.00291505/step Wall: 5401.07, 0.00291505/step, 2.54208 hours remaining, 207.117188 MB of memory in use. ENERGY: 1860600 769.5445 2089.7891 1971.6224 122.5818 -206224.0283 17874.5217 0.0000 0.0000 34007.1703 -149388.7986 296.9931 -183395.9689 -149293.0342 299.1944 -103.7420 -70.0674 558328.8203 -2.0493 -2.0454 PRESSURE: 1860800 117.04 -70.0569 8.6606 -70.0578 -126.159 -40.353 8.66044 -40.3523 84.2641 GPRESSURE: 1860800 187.153 -72.565 49.5285 -0.193575 -86.2758 78.5652 3.39832 -159.896 82.8005 PRESSAVG: 1860800 25.5621 -7.50247 -21.236 -7.50237 2.30007 -24.5055 -21.236 -24.5055 -7.3666 GPRESSAVG: 1860800 26.2059 -10.7766 -23.6077 -5.93727 3.02231 -22.9955 -22.8201 -24.7448 -8.03245 TIMING: 1860800 CPU: 5401.65, 0.0028984/step Wall: 5401.65, 0.0028984/step, 2.52741 hours remaining, 207.117188 MB of memory in use. ENERGY: 1860800 728.9141 2070.0753 1962.8441 119.8441 -206391.0858 17936.0727 0.0000 0.0000 34140.5834 -149432.7521 298.1582 -183573.3354 -149330.6856 298.8725 25.0484 61.2261 558287.8661 6.8319 7.0653 PRESSURE: 1861000 242.592 59.1494 -92.0774 59.1492 -93.5717 -118.743 -92.0764 -118.744 70.6 GPRESSURE: 1861000 210.117 27.462 -23.752 75.0998 -38.3832 -102.96 -115.52 -63.4126 136.149 PRESSAVG: 1861000 83.3159 17.505 37.8197 17.5051 -103.419 -6.74108 37.8196 -6.7409 29.1245 GPRESSAVG: 1861000 83.3019 20.7792 37.9831 13.6994 -104.849 -7.71475 40.2503 -6.2752 30.6462 TIMING: 1861000 CPU: 5402.23, 0.00289198/step Wall: 5402.23, 0.00289198/step, 2.52164 hours remaining, 207.117188 MB of memory in use. ENERGY: 1861000 755.4341 2067.6719 1961.2100 116.6308 -206650.9765 17980.5640 0.0000 0.0000 34281.4399 -149488.0258 299.3883 -183769.4657 -149399.8735 298.8107 73.2067 102.6275 556058.5532 3.0071 3.0331 PRESSURE: 1861200 166.743 77.2123 -90.293 77.2116 48.6006 76.6375 -90.2928 76.6379 23.972 GPRESSURE: 1861200 162.076 45.8377 -111.61 176.09 105.613 -21.1522 -71.6854 72.1983 74.0548 PRESSAVG: 1861200 36.3423 29.162 -53.8414 29.162 -47.2515 -37.1745 -53.8415 -37.1744 25.1372 GPRESSAVG: 1861200 36.3873 29.0419 -51.6336 31.2982 -47.1228 -37.56 -53.7412 -35.3277 24.8715 TIMING: 1861200 CPU: 5402.8, 0.00289136/step Wall: 5402.8, 0.00289136/step, 2.52094 hours remaining, 207.117188 MB of memory in use. ENERGY: 1861200 747.7989 2025.9521 1970.7332 113.0757 -206510.4600 18023.8988 0.0000 0.0000 34259.4794 -149369.5220 299.1966 -183629.0014 -149265.0029 298.8756 79.7720 113.9146 556884.8179 4.7427 4.7120 PRESSURE: 1861400 -53.3719 -54.0855 -75.3357 -54.0865 254.185 -62.0721 -75.3344 -62.0725 395.541 GPRESSURE: 1861400 -29.6954 -133.59 -42.0698 -35.1204 278.643 -24.743 -104.891 -61.904 434.121 PRESSAVG: 1861400 8.87362 22.0156 -14.5072 22.0157 -6.1174 2.71007 -14.5072 2.71012 9.92915 GPRESSAVG: 1861400 8.86239 20.2623 -16.3602 22.776 -5.16903 1.90027 -15.9185 0.0903891 8.86388 TIMING: 1861400 CPU: 5403.38, 0.00290651/step Wall: 5403.38, 0.00290651/step, 2.53399 hours remaining, 207.117188 MB of memory in use. ENERGY: 1861400 752.9574 2062.5006 1983.7423 100.5053 -206540.6024 18018.9286 0.0000 0.0000 34318.8541 -149303.1141 299.7151 -183621.9683 -149205.0771 299.0226 198.7848 227.6892 556923.5886 4.2285 4.1857 PRESSURE: 1861600 -69.9441 -155.597 -13.9671 -155.597 122.878 88.9448 -13.9668 88.9449 115.32 GPRESSURE: 1861600 37.3845 -66.395 -33.4114 -173.512 106.554 49.8382 13.0828 17.3921 106.093 PRESSAVG: 1861600 -12.1931 -23.3013 24.2253 -23.3013 -27.4875 -9.64947 24.2253 -9.64944 41.026 GPRESSAVG: 1861600 -11.4458 -22.7073 25.9515 -23.9487 -28.5001 -10.2182 24.8266 -7.67286 40.5162 TIMING: 1861600 CPU: 5403.96, 0.0028858/step Wall: 5403.96, 0.0028858/step, 2.51578 hours remaining, 207.117188 MB of memory in use. ENERGY: 1861600 783.5221 2021.7304 1955.7076 118.1638 -206560.9827 18029.8882 0.0000 0.0000 34395.4806 -149256.4899 300.3843 -183651.9706 -149161.3657 299.1394 56.0848 83.3440 557894.4807 0.4485 0.1901 PRESSURE: 1861800 10.56 -82.4504 23.8385 -82.45 14.9153 148.027 23.8369 148.027 23.9515 GPRESSURE: 1861800 96.6141 -132.909 8.37279 -63.9206 35.7677 140.004 73.4591 172.431 -5.76958 PRESSAVG: 1861800 36.4825 -7.52105 56.2168 -7.52104 -6.06817 -39.9117 56.2167 -39.9116 -58.151 GPRESSAVG: 1861800 35.6053 -8.06757 54.8003 -8.38737 -5.92388 -39.4938 55.899 -40.1722 -58.0629 TIMING: 1861800 CPU: 5404.54, 0.00287972/step Wall: 5404.54, 0.00287972/step, 2.51031 hours remaining, 207.117188 MB of memory in use. ENERGY: 1861800 758.9598 2051.9540 1974.1003 115.7964 -206281.4876 17730.6203 0.0000 0.0000 34264.6969 -149385.3599 299.2421 -183650.0568 -149283.2670 298.6294 16.4756 42.2041 557254.1915 -9.2456 -9.4605 PRESSURE: 1862000 -236.55 -121.507 -184.91 -121.507 118.888 -22.9902 -184.909 -22.9927 -303.445 GPRESSURE: 1862000 -209.361 -106.337 -185.057 -135.127 103.206 1.17097 -177.482 28.5869 -227.526 PRESSAVG: 1862000 14.4328 -24.1387 -0.103687 -24.1387 -1.41907 -15.4008 -0.103708 -15.4007 16.1662 GPRESSAVG: 1862000 14.5109 -25.9547 2.14071 -22.357 -1.31435 -14.047 -2.17681 -14.6054 16.4348 TIMING: 1862000 CPU: 5405.11, 0.00287434/step Wall: 5405.11, 0.00287434/step, 2.50546 hours remaining, 207.191406 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: 1862000 761.9853 2065.7433 1938.4312 112.9401 -206288.9856 17726.9196 0.0000 0.0000 34260.2487 -149422.7174 299.2033 -183682.9661 -149325.9551 298.3089 -140.3691 -111.2273 558906.0648 9.7267 9.8771 PRESSURE: 1862200 213.811 -69.7953 -43.4786 -69.7966 77.6853 125.967 -43.4788 125.967 61.3004 GPRESSURE: 1862200 203.058 23.6328 46.2037 -40.8615 128.221 112.405 -118.497 64.5406 116.704 PRESSAVG: 1862200 40.9576 -42.6145 -12.7157 -42.6145 -32.8083 7.9324 -12.7157 7.93249 -31.7381 GPRESSAVG: 1862200 41.0663 -39.9317 -13.9608 -43.8556 -33.3814 9.2445 -11.307 5.23449 -31.6699 TIMING: 1862200 CPU: 5405.69, 0.00288287/step Wall: 5405.69, 0.00288287/step, 2.51274 hours remaining, 207.191406 MB of memory in use. ENERGY: 1862200 732.9217 2120.7163 1971.0318 111.3275 -206666.4320 18060.9828 0.0000 0.0000 34205.3389 -149464.1131 298.7237 -183669.4520 -149373.3284 298.9874 117.5991 149.3279 556499.4462 -7.8629 -7.9950 PRESSURE: 1862400 56.4863 113.677 -49.1216 113.678 107.142 42.9977 -49.1222 42.9968 -27.4938 GPRESSURE: 1862400 66.9663 56.6287 -1.86069 94.2096 178.041 56.2226 -143.161 -23.2564 -21.691 PRESSAVG: 1862400 0.326791 -2.69497 31.0329 -2.69491 39.7865 16.2617 31.0329 16.2618 -22.6168 GPRESSAVG: 1862400 0.0603035 -2.0621 31.2697 -2.05377 39.9448 13.9651 31.8956 18.9705 -22.4604 TIMING: 1862400 CPU: 5406.27, 0.00287931/step Wall: 5406.27, 0.00287931/step, 2.50948 hours remaining, 207.191406 MB of memory in use. ENERGY: 1862400 717.6821 2074.1436 1985.0310 125.1618 -206081.3848 17826.4561 0.0000 0.0000 33914.8015 -149438.1086 296.1864 -183352.9101 -149346.6049 298.4457 45.3783 74.4387 556598.0067 5.8322 5.8482 PRESSURE: 1862600 -11.3205 -11.9925 59.6162 -11.9919 83.4265 -73.2529 59.6162 -73.2517 -115.337 GPRESSURE: 1862600 -0.771942 -79.7281 -13.6184 19.3296 103.679 -30.9971 117.259 -52.5282 -50.2241 PRESSAVG: 1862600 31.2996 -33.0325 7.27375 -33.0325 22.1727 -15.436 7.27371 -15.4361 -39.6033 GPRESSAVG: 1862600 31.3888 -34.9786 6.47366 -30.8268 22.115 -14.4372 8.02848 -15.2963 -39.2824 TIMING: 1862600 CPU: 5406.84, 0.00287238/step Wall: 5406.84, 0.00287238/step, 2.50328 hours remaining, 207.191406 MB of memory in use. ENERGY: 1862600 740.2755 2096.2209 1959.4880 101.7602 -206171.4569 17657.6187 0.0000 0.0000 34236.3265 -149379.7672 298.9944 -183616.0938 -149280.9275 297.8844 -14.4103 17.5610 554699.1449 4.6230 4.7404 PRESSURE: 1862800 -273.367 -39.0047 126.698 -39.0053 1.56775 -104.246 126.698 -104.244 -158.757 GPRESSURE: 1862800 -196.784 -120.189 198.521 67.5051 41.4523 -88.5048 127.44 -130.805 -170.932 PRESSAVG: 1862800 -43.2459 10.1109 -62.1172 10.111 53.985 -29.5491 -62.1171 -29.549 32.1532 GPRESSAVG: 1862800 -42.4583 13.0437 -63.552 7.78478 53.0253 -29.5835 -60.615 -31.207 32.6954 TIMING: 1862800 CPU: 5407.42, 0.00287777/step Wall: 5407.42, 0.00287777/step, 2.50781 hours remaining, 207.191406 MB of memory in use. ENERGY: 1862800 750.0295 2111.4179 1987.0789 115.6542 -206046.8981 17519.0340 0.0000 0.0000 34354.7629 -149208.9208 300.0287 -183563.6837 -149117.9922 299.0587 -143.5186 -108.7548 557243.6467 14.2974 14.4208 PRESSURE: 1863000 141.522 221.561 -18.4969 221.56 66.1471 93.4907 -18.496 93.4924 -226.658 GPRESSURE: 1863000 216.008 202.812 47.7826 160.687 44.4314 27.0743 -108.6 215.502 -185.761 PRESSAVG: 1863000 -29.2654 20.0131 14.8306 20.013 67.1218 2.17515 14.8307 2.17514 -52.574 GPRESSAVG: 1863000 -29.3854 18.3444 17.3958 19.1079 68.008 1.3344 12.7834 2.61649 -53.0274 TIMING: 1863000 CPU: 5407.99, 0.00288468/step Wall: 5407.99, 0.00288468/step, 2.51368 hours remaining, 207.191406 MB of memory in use. ENERGY: 1863000 756.2214 2053.9023 1956.2800 114.6944 -206220.0844 17847.7396 0.0000 0.0000 34258.6564 -149232.5904 299.1894 -183491.2468 -149137.8936 298.6405 -6.3299 24.8929 557111.3126 -4.9059 -4.8016 PRESSURE: 1863200 -37.1956 -72.5162 -15.5372 -72.5171 130.289 129.358 -15.5368 129.358 -8.31944 GPRESSURE: 1863200 -25.8573 -177.091 32.4288 -42.1616 140.981 87.7935 -85.5439 131.105 81.0815 PRESSAVG: 1863200 20.4973 9.27357 66.9335 9.2736 -0.546484 2.05712 66.9334 2.05716 -4.15835 GPRESSAVG: 1863200 20.9922 9.30123 66.8003 11.5325 -0.009752 1.63763 67.2271 4.00176 -4.79707 TIMING: 1863200 CPU: 5408.57, 0.00289691/step Wall: 5408.57, 0.00289691/step, 2.52417 hours remaining, 207.191406 MB of memory in use. ENERGY: 1863200 760.2452 2100.3405 1973.7859 102.5412 -206121.3353 17794.9252 0.0000 0.0000 34263.0598 -149126.4375 299.2278 -183389.4973 -149042.2040 299.3622 28.2579 65.4018 555746.1846 5.2642 5.3951 PRESSURE: 1863400 -166.742 -100.689 42.8541 -100.689 -150.881 -64.5384 42.8541 -64.5396 11.5065 GPRESSURE: 1863400 -130.069 -129.49 19.4369 -80.4568 -119.295 -86.727 64.3386 -78.3714 49.7625 PRESSAVG: 1863400 -35.8081 -14.0699 14.3762 -14.0699 4.98122 -8.40707 14.3762 -8.40707 12.916 GPRESSAVG: 1863400 -37.2406 -14.1247 13.5122 -14.0658 4.54616 -7.08784 14.6519 -11.3587 15.0118 TIMING: 1863400 CPU: 5409.15, 0.00291454/step Wall: 5409.15, 0.00291454/step, 2.53937 hours remaining, 207.191406 MB of memory in use. ENERGY: 1863400 710.4729 2046.3466 1965.5824 118.5326 -206020.0377 17675.7120 0.0000 0.0000 34381.6643 -149121.7270 300.2636 -183503.3913 -149025.1303 299.8545 -102.0388 -66.5340 557561.7601 -5.9703 -5.8942 PRESSURE: 1863600 -186.963 -93.3671 -39.3138 -93.3669 -186.956 -75.543 -39.3135 -75.5427 -145.781 GPRESSURE: 1863600 -155.637 -214.053 -76.924 39.4071 -157.84 -54.1024 -59.1537 -90.6842 -124.172 PRESSAVG: 1863600 11.8824 -19.5665 43.767 -19.5665 18.0424 -42.2408 43.7671 -42.2409 -22.6555 GPRESSAVG: 1863600 12.9241 -21.6743 44.0935 -18.2561 18.4529 -40.639 42.4373 -41.7189 -24.2583 TIMING: 1863600 CPU: 5409.73, 0.00289315/step Wall: 5409.73, 0.00289315/step, 2.52058 hours remaining, 207.191406 MB of memory in use. ENERGY: 1863600 700.6723 2106.8854 1962.8654 119.5764 -205757.4860 17487.9663 0.0000 0.0000 34087.4344 -149292.0857 297.6940 -183379.5201 -149206.9148 299.3922 -173.2334 -145.8829 558189.1502 2.4231 2.3729 PRESSURE: 1863800 -18.1383 136.807 206.075 136.808 89.1212 24.9022 206.076 24.9002 -110.078 GPRESSURE: 1863800 30.2884 183.279 181.331 89.0576 126.069 65.6842 335.75 -73.9303 -98.4802 PRESSAVG: 1863800 21.2346 -25.7217 -24.473 -25.7217 24.9135 -5.32289 -24.473 -5.32299 -52.3726 GPRESSAVG: 1863800 19.4312 -24.6033 -23.6076 -28.2669 26.1077 -7.6096 -23.1633 -5.52203 -51.748 TIMING: 1863800 CPU: 5410.31, 0.00290367/step Wall: 5410.31, 0.00290367/step, 2.52958 hours remaining, 207.191406 MB of memory in use. ENERGY: 1863800 702.9035 2075.9064 1978.8368 107.3338 -206377.5252 17751.7759 0.0000 0.0000 34416.3689 -149344.3999 300.5667 -183760.7688 -149253.8575 298.8727 -13.0318 19.2924 556694.3342 -2.0748 -2.0697 PRESSURE: 1864000 240.824 129.624 115.221 129.626 -145.901 -30.6872 115.22 -30.6882 -79.4281 GPRESSURE: 1864000 266.503 141.3 189.269 121.248 -131.42 -6.47737 99.5967 -9.57515 -1.68473 PRESSAVG: 1864000 39.7985 -12.7404 28.7111 -12.7404 5.45826 22.3473 28.7111 22.3473 -30.7471 GPRESSAVG: 1864000 41.0458 -13.5765 28.7226 -10.876 4.62324 25.1377 28.9874 21.6221 -31.2699 TIMING: 1864000 CPU: 5410.9, 0.00290602/step Wall: 5410.9, 0.00290602/step, 2.53147 hours remaining, 207.191406 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: 1864000 738.1880 1988.0792 1961.3461 124.4625 -206232.8198 17803.5226 0.0000 0.0000 34249.6918 -149367.5297 299.1111 -183617.2215 -149270.4505 298.1080 5.1651 44.4661 558470.2395 4.8366 4.7997 PRESSURE: 1864200 207.461 116.727 -166.587 116.728 38.1878 -184.863 -166.587 -184.865 173.562 GPRESSURE: 1864200 278.978 171.717 -169.294 76.0696 59.4235 -125.349 -134.494 -323.964 174.907 PRESSAVG: 1864200 37.5108 -12.7589 13.4428 -12.7589 2.39734 12.8768 13.4428 12.8768 -17.0082 GPRESSAVG: 1864200 38.0809 -12.1734 14.2393 -13.3854 1.26977 7.79052 12.0228 15.7944 -16.3408 TIMING: 1864200 CPU: 5411.47, 0.00289463/step Wall: 5411.47, 0.00289463/step, 2.52138 hours remaining, 207.191406 MB of memory in use. ENERGY: 1864200 704.4891 2040.6103 1995.5842 105.8782 -206519.8606 17936.8366 0.0000 0.0000 34288.6147 -149447.8475 299.4510 -183736.4622 -149346.2612 298.3493 139.7367 171.1025 556577.9549 7.6333 7.6700 LDB: ============= START OF LOAD BALANCING ============== 5414.94 LDB: ============== END OF LOAD BALANCING =============== 5414.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5414.94 LDB: ============= START OF LOAD BALANCING ============== 5415.23 LDB: Largest compute 4820 load 0.030004 is 25.5% of average load 0.117833 LDB: Average compute 0.001720 is 1.5% of average load 0.117833 LDB: TIME 5415.23 LOAD: AVG 0.117833 MAX 0.177279 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.82 MB LDB: TIME 5415.23 LOAD: AVG 0.117833 MAX 0.177279 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: TIME 5415.23 LOAD: AVG 0.117833 MAX 0.177279 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.023 MB LDB: ============== END OF LOAD BALANCING =============== 5415.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5415.24 PRESSURE: 1864400 -35.3033 48.6885 -183.965 48.6869 36.6607 169.601 -183.964 169.601 16.9608 GPRESSURE: 1864400 12.3659 -3.23795 -131.214 19.2857 107.866 128.172 -179.284 190.712 -14.2667 PRESSAVG: 1864400 -2.44849 -19.8306 -49.5006 -19.8306 1.30022 -19.3606 -49.5005 -19.3606 26.7998 GPRESSAVG: 1864400 -3.10299 -18.5377 -52.6579 -21.2531 1.84933 -16.7476 -47.8367 -21.8017 26.5673 TIMING: 1864400 CPU: 5412.06, 0.00293803/step Wall: 5412.06, 0.00293803/step, 2.55902 hours remaining, 206.648438 MB of memory in use. ENERGY: 1864400 737.1435 2058.1486 1969.8552 125.8841 -206291.2474 17764.9765 0.0000 0.0000 34172.5557 -149462.6837 298.4374 -183635.2394 -149363.5818 298.5209 6.1061 35.3218 556632.4841 8.5505 8.4379 PRESSURE: 1864600 123.2 -128.864 296.217 -128.863 104.46 101.871 296.218 101.872 26.3545 GPRESSURE: 1864600 131.81 -121.331 273.179 -115.401 154.657 107.935 276.639 110.273 63.714 PRESSAVG: 1864600 -45.0217 -45.917 -18.4365 -45.9169 40.6182 23.1875 -18.4365 23.1876 47.0023 GPRESSAVG: 1864600 -44.286 -44.9512 -17.8687 -45.3131 41.1631 25.5224 -19.5194 22.0032 45.8146 TIMING: 1864600 CPU: 5412.64, 0.00288941/step Wall: 5412.64, 0.00288941/step, 2.51652 hours remaining, 206.851562 MB of memory in use. ENERGY: 1864600 727.5088 2081.8419 1960.5832 109.8928 -206625.2453 18169.1647 0.0000 0.0000 34171.9893 -149404.2647 298.4325 -183576.2539 -149306.9888 298.5226 84.6715 116.7269 556936.2549 14.1996 14.2306 PRESSURE: 1864800 -98.5908 55.4619 -68.2152 55.4623 -104.21 72.9318 -68.2146 72.9326 18.5121 GPRESSURE: 1864800 -122.096 66.2795 17.2543 53.2682 -51.0387 80.0264 -78.7361 -1.15717 78.3301 PRESSAVG: 1864800 11.1265 1.42034 30.7346 1.42049 -20.671 10.8747 30.7346 10.8748 33.129 GPRESSAVG: 1864800 10.3624 0.0623462 31.4784 2.56889 -22.021 8.46272 30.5892 14.8336 34.6731 TIMING: 1864800 CPU: 5413.22, 0.00287967/step Wall: 5413.22, 0.00287967/step, 2.50787 hours remaining, 206.851562 MB of memory in use. ENERGY: 1864800 727.6565 2060.8989 1956.4802 117.6744 -206480.0676 17853.2033 0.0000 0.0000 34479.4275 -149284.7269 301.1174 -183764.1544 -149187.4214 299.3675 -61.4294 -31.6015 557334.9320 7.8615 7.6715 PRESSURE: 1865000 8.06753 -29.0812 -155.708 -29.082 142.984 -32.5069 -155.708 -32.507 8.8439 GPRESSURE: 1865000 52.1939 -84.388 -154.707 27.8094 140.232 -21.5469 -113.806 -24.8914 72.9599 PRESSAVG: 1865000 -1.22106 -56.8993 -8.12684 -56.8993 10.2317 16.5004 -8.12689 16.5004 -2.96936 GPRESSAVG: 1865000 -1.79532 -56.278 -5.80514 -56.6758 10.706 15.2203 -9.15644 17.7095 -2.91191 TIMING: 1865000 CPU: 5413.79, 0.00287838/step Wall: 5413.79, 0.00287838/step, 2.50659 hours remaining, 206.851562 MB of memory in use. ENERGY: 1865000 719.8327 2146.9957 1964.3134 115.7169 -206266.6845 17835.5245 0.0000 0.0000 34146.7328 -149337.5684 298.2119 -183484.3013 -149240.6195 299.6648 53.2985 88.4620 556482.5742 2.0138 1.9996 PRESSURE: 1865200 499.342 73.8325 -16.5155 73.8318 137.034 -35.4469 -16.5152 -35.4464 37.951 GPRESSURE: 1865200 480.879 119.009 -176.35 47.2826 205.293 -2.19693 -17.4197 -32.283 87.7241 PRESSAVG: 1865200 -36.4094 -69.2938 -20.4148 -69.2939 -32.4523 14.1809 -20.4148 14.1809 43.2136 GPRESSAVG: 1865200 -35.7979 -70.685 -23.3911 -68.8547 -32.9947 18.8177 -19.2592 9.97733 42.7635 TIMING: 1865200 CPU: 5414.37, 0.00289678/step Wall: 5414.37, 0.00289678/step, 2.52246 hours remaining, 206.863281 MB of memory in use. ENERGY: 1865200 739.8361 2062.6838 1951.6466 118.5162 -206771.2876 18384.0764 0.0000 0.0000 34074.2470 -149440.2816 297.5789 -183514.5285 -149347.9159 298.3053 224.7757 257.9654 557010.2406 -8.5494 -8.6764 PRESSURE: 1865400 -212.161 -65.3445 45.197 -65.3431 -64.2852 -170.073 45.1967 -170.073 -176.681 GPRESSURE: 1865400 -149.162 -86.2335 134.241 -82.4139 -67.3057 -125.152 -31.5944 -123.602 -147.05 PRESSAVG: 1865400 61.0337 26.7199 14.4901 26.72 -54.7577 -9.4376 14.4902 -9.43759 32.717 GPRESSAVG: 1865400 60.951 26.0899 14.1352 24.9549 -53.3617 -12.2464 15.0065 -8.76455 31.9913 TIMING: 1865400 CPU: 5414.95, 0.00290015/step Wall: 5414.95, 0.00290016/step, 2.52523 hours remaining, 206.863281 MB of memory in use. ENERGY: 1865400 738.9309 2062.1851 1971.4219 109.9265 -205666.7367 17414.5147 0.0000 0.0000 34069.3399 -149300.4176 297.5360 -183369.7576 -149209.3446 298.5665 -151.0424 -121.1728 558976.5492 12.9977 13.1935 PRESSURE: 1865600 -169.427 -49.3507 54.385 -49.3525 -130.417 -96.9611 54.383 -96.9609 94.9628 GPRESSURE: 1865600 -75.7578 -40.8185 20.2302 -128.508 -160.472 -142.273 67.3257 -137.531 132.142 PRESSAVG: 1865600 -21.6159 0.961635 52.895 0.961677 33.773 -42.7181 52.8951 -42.7182 -14.7799 GPRESSAVG: 1865600 -21.0874 1.55658 51.8469 2.64225 32.3887 -42.3638 52.6072 -41.8483 -13.8239 TIMING: 1865600 CPU: 5415.53, 0.0029012/step Wall: 5415.53, 0.0029012/step, 2.52598 hours remaining, 206.863281 MB of memory in use. ENERGY: 1865600 739.3812 2107.5521 1950.8655 110.2470 -206118.8342 17547.0524 0.0000 0.0000 34232.4029 -149431.3332 298.9601 -183663.7361 -149337.7481 298.7338 -68.2937 -34.6959 557821.9997 -0.8743 -0.8409 PRESSURE: 1865800 -226.498 35.5764 -112.503 35.5771 110.658 -85.3643 -112.503 -85.3634 -228.738 GPRESSURE: 1865800 -187.482 -30.5498 -44.2402 144.696 160.974 7.45785 -113.814 -41.2945 -209.012 PRESSAVG: 1865800 -28.8735 -57.7017 34.429 -57.7017 25.3003 -5.41421 34.429 -5.41424 -8.93625 GPRESSAVG: 1865800 -28.9055 -59.1622 36.87 -58.1253 24.3186 -5.04477 34.6212 -5.79574 -7.85934 TIMING: 1865800 CPU: 5416.11, 0.00289676/step Wall: 5416.11, 0.00289676/step, 2.52195 hours remaining, 206.863281 MB of memory in use. ENERGY: 1865800 782.5264 2072.5101 1942.8235 109.3399 -206286.3866 17732.3687 0.0000 0.0000 34021.7391 -149625.0789 297.1203 -183646.8180 -149525.1287 297.8046 -114.8594 -78.5067 556266.4501 -4.1698 -4.1487 PRESSURE: 1866000 75.0158 121.148 106.434 121.149 275.17 -43.9958 106.435 -43.9956 63.1716 GPRESSURE: 1866000 82.8721 208.754 10.3133 -17.2528 304.804 -9.69969 115.18 -94.444 113.33 PRESSAVG: 1866000 -36.6942 34.321 30.9967 34.321 78.876 30.136 30.9966 30.136 1.40997 GPRESSAVG: 1866000 -36.92 36.7253 32.4406 34.4681 80.1674 30.2938 30.0094 30.8516 0.293906 TIMING: 1866000 CPU: 5416.69, 0.00290291/step Wall: 5416.69, 0.00290291/step, 2.52714 hours remaining, 206.863281 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: 1866000 749.2843 2133.1794 1969.2371 134.0825 -206923.0543 18230.5034 0.0000 0.0000 34128.1959 -149578.5717 298.0500 -183706.7676 -149483.9332 298.4017 137.7857 167.0021 556890.2570 14.5306 14.5138 PRESSURE: 1866200 272.538 54.7425 -52.366 54.7412 214.805 -89.0312 -52.3673 -89.0323 75.4367 GPRESSURE: 1866200 283.07 134.975 -129.386 -22.0164 265.197 -66.3728 -30.5547 -122.323 113.229 PRESSAVG: 1866200 11.054 15.0522 4.01641 15.0522 -33.5605 -24.7321 4.01642 -24.7321 14.7005 GPRESSAVG: 1866200 11.504 15.4681 1.77793 12.7696 -34.0651 -25.3977 6.55445 -23.5038 15.1575 TIMING: 1866200 CPU: 5417.27, 0.00289541/step Wall: 5417.27, 0.00289541/step, 2.52046 hours remaining, 206.863281 MB of memory in use. ENERGY: 1866200 759.4519 2072.5128 1963.2129 118.9023 -206904.0741 18279.5979 0.0000 0.0000 34236.9819 -149473.4144 299.0001 -183710.3963 -149377.9386 298.2566 187.5929 220.4988 557791.7445 -2.6020 -2.4679 PRESSURE: 1866400 -350.271 -48.6706 -22.3365 -48.6714 -3.86182 3.96231 -22.3366 3.96275 -328.809 GPRESSURE: 1866400 -358.26 23.1563 41.3177 34.9705 -9.68621 -20.6004 -103.393 17.4309 -221.709 PRESSAVG: 1866400 -56.6536 21.8 3.63297 21.8 23.0719 -5.52523 3.63303 -5.52516 19.8995 GPRESSAVG: 1866400 -56.1983 21.2199 4.91306 22.5363 22.3249 -5.79614 0.646255 -7.42978 20.6004 TIMING: 1866400 CPU: 5417.84, 0.00287345/step Wall: 5417.84, 0.00287345/step, 2.50118 hours remaining, 206.863281 MB of memory in use. ENERGY: 1866400 737.6509 2096.6955 1947.2074 119.3853 -205988.4065 17509.7341 0.0000 0.0000 34083.2536 -149494.4797 297.6575 -183577.7332 -149399.6704 298.5145 -227.6471 -196.5519 558282.4948 -4.5607 -4.4243 PRESSURE: 1866600 -64.2965 -3.06656 -64.0743 -3.0665 43.7882 -5.88136 -64.0744 -5.88121 -356.063 GPRESSURE: 1866600 -61.8668 -2.66591 -21.2778 -49.9045 112.294 -21.823 -122.734 6.27158 -333.785 PRESSAVG: 1866600 20.4855 -25.3639 13.6509 -25.3639 76.9332 -32.8569 13.651 -32.8569 -47.8494 GPRESSAVG: 1866600 21.5383 -26.6625 15.5026 -26.0298 76.5332 -31.6332 12.911 -31.1147 -48.3977 TIMING: 1866600 CPU: 5418.42, 0.00289234/step Wall: 5418.42, 0.00289234/step, 2.51746 hours remaining, 206.863281 MB of memory in use. ENERGY: 1866600 767.8806 2134.3369 1948.9035 124.5050 -206500.6885 17911.0129 0.0000 0.0000 34100.9764 -149513.0733 297.8123 -183614.0496 -149413.7112 297.9993 -125.5236 -94.4529 558464.4995 16.5231 16.5579 PRESSURE: 1866800 222.348 -95.4297 6.33793 -95.431 -29.5625 -1.50263 6.3382 -1.50218 8.84422 GPRESSURE: 1866800 303.88 -46.5971 38.2745 -138.084 -2.97434 1.51023 36.3972 10.4319 8.08261 PRESSAVG: 1866800 8.58901 15.4014 12.8378 15.4014 24.7514 -57.3835 12.8378 -57.3835 8.58761 GPRESSAVG: 1866800 9.16285 15.3577 10.3217 16.5417 25.3838 -58.231 13.7242 -56.778 7.43912 TIMING: 1866800 CPU: 5419, 0.00290037/step Wall: 5419, 0.00290037/step, 2.52428 hours remaining, 206.863281 MB of memory in use. ENERGY: 1866800 756.7903 2103.8867 1935.3287 112.3359 -206425.1467 17991.7732 0.0000 0.0000 34017.0740 -149507.9580 297.0796 -183525.0320 -149407.8795 298.4423 67.2100 102.9961 557470.9813 13.9760 13.9952 PRESSURE: 1867000 -70.455 165.178 -127.256 165.178 99.5599 -62.4971 -127.255 -62.4973 37.9333 GPRESSURE: 1867000 -50.621 102.851 -19.7311 223.373 168.686 -93.9889 -143.573 -50.1822 40.1737 PRESSAVG: 1867000 59.0196 42.9888 0.933057 42.9889 -53.2722 21.4409 0.933084 21.4408 2.95453 GPRESSAVG: 1867000 57.8368 44.0354 3.71773 42.6181 -54.3597 21.0526 -1.13777 20.9289 5.04671 TIMING: 1867000 CPU: 5419.58, 0.0029031/step Wall: 5419.58, 0.0029031/step, 2.5265 hours remaining, 206.863281 MB of memory in use. ENERGY: 1867000 786.0640 2161.3851 1974.1956 122.1446 -206436.8486 18025.5490 0.0000 0.0000 33961.2675 -149406.2428 296.5922 -183367.5103 -149316.1368 298.1281 22.3461 52.7463 556484.5663 2.9006 2.8413 PRESSURE: 1867200 73.249 -83.7508 49.1847 -83.7496 171.399 82.8967 49.185 82.8983 205.626 GPRESSURE: 1867200 69.9485 -96.798 -74.0817 -115.99 229.16 32.2521 42.2242 161.135 256.952 PRESSAVG: 1867200 -68.8344 50.0983 29.2924 50.0983 0.459544 -16.2603 29.2924 -16.2603 62.5033 GPRESSAVG: 1867200 -69.2602 49.3266 26.1134 49.5985 1.40578 -15.9803 31.928 -17.6659 61.8012 TIMING: 1867200 CPU: 5420.17, 0.00290664/step Wall: 5420.17, 0.00290664/step, 2.52943 hours remaining, 206.863281 MB of memory in use. ENERGY: 1867200 724.6608 2125.3369 1992.3397 106.3476 -207004.2547 18295.7302 0.0000 0.0000 34282.4841 -149477.3554 299.3975 -183759.8395 -149384.8338 298.5361 150.0913 185.3535 557349.4091 -1.9572 -2.0177 PRESSURE: 1867400 105.445 103.506 -53.9733 103.507 -27.5447 37.5086 -53.9729 37.5092 -111.183 GPRESSURE: 1867400 69.0468 167.228 -76.5615 89.6536 -17.6823 33.6448 -54.605 27.4229 6.72544 PRESSAVG: 1867400 -1.8809 33.8309 1.53182 33.8309 -49.4122 -50.7037 1.53178 -50.7037 42.3959 GPRESSAVG: 1867400 -1.97711 33.7054 1.34981 33.0646 -48.6968 -51.635 0.646587 -49.2693 42.0417 TIMING: 1867400 CPU: 5420.75, 0.00290126/step Wall: 5420.75, 0.00290126/step, 2.52458 hours remaining, 206.863281 MB of memory in use. ENERGY: 1867400 738.8970 2090.1099 1954.9442 110.8338 -206704.7259 17901.4980 0.0000 0.0000 34470.5428 -149437.9001 301.0398 -183908.4429 -149340.5896 298.4652 -11.0939 19.3633 556440.3947 -2.9657 -2.8774 PRESSURE: 1867600 267.365 -103.351 -78.9864 -103.351 -81.0925 -10.2828 -78.9865 -10.2814 -188.773 GPRESSURE: 1867600 308.773 -80.2736 1.76338 -50.5211 -28.3936 59.8813 -144.333 -6.8977 -173.602 PRESSAVG: 1867600 26.6503 17.6903 39.5678 17.6904 -48.1228 18.7466 39.5678 18.7466 3.94405 GPRESSAVG: 1867600 27.1165 19.4458 41.0446 18.3316 -49.2309 18.9927 40.1328 19.6565 4.62232 TIMING: 1867600 CPU: 5421.33, 0.00290447/step Wall: 5421.33, 0.00290447/step, 2.52721 hours remaining, 206.863281 MB of memory in use. ENERGY: 1867600 726.9764 2100.3981 1969.9840 127.1605 -206544.2415 17915.7241 0.0000 0.0000 34054.3283 -149649.6701 297.4049 -183703.9984 -149552.4884 298.3973 -0.8335 35.5923 556780.8554 -5.8428 -5.8307 PRESSURE: 1867800 -315.2 -34.053 139.149 -34.0533 58.8131 64.2537 139.147 64.2534 159.113 GPRESSURE: 1867800 -228.851 10.0811 120.073 40.4209 77.3658 91.764 121.983 34.0103 164.356 PRESSAVG: 1867800 16.6371 -30.3596 33.2481 -30.3596 -40.1198 -18.3015 33.2481 -18.3016 6.90928 GPRESSAVG: 1867800 17.3279 -30.6852 33.6582 -32.2475 -40.5109 -18.2571 31.5151 -18.1384 7.14895 TIMING: 1867800 CPU: 5421.9, 0.00288786/step Wall: 5421.9, 0.00288786/step, 2.5126 hours remaining, 206.863281 MB of memory in use. ENERGY: 1867800 765.5210 2119.6816 1932.3106 109.3163 -206627.9285 17823.6652 0.0000 0.0000 34067.0589 -149810.3749 297.5161 -183877.4337 -149711.1545 297.1218 -32.4245 4.2901 555647.7592 -5.5245 -5.3447 PRESSURE: 1868000 107.974 6.00742 101.452 6.00673 -88.1188 -198.44 101.453 -198.44 49.0712 GPRESSURE: 1868000 116.314 -45.2435 180.46 30.2959 -44.123 -260.158 108.315 -158.415 92.4812 PRESSAVG: 1868000 -10.9482 -13.0615 64.8224 -13.0617 20.6332 -52.9392 64.8224 -52.9392 -14.2956 GPRESSAVG: 1868000 -11.6529 -14.8436 64.7621 -11.6699 19.9232 -50.708 66.4608 -55.8039 -13.5094 TIMING: 1868000 CPU: 5422.48, 0.0029003/step Wall: 5422.48, 0.0029003/step, 2.52326 hours remaining, 206.863281 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: 1868000 721.4547 2104.7948 1931.7110 115.6957 -206497.3301 17775.1101 0.0000 0.0000 34037.9838 -149810.5800 297.2622 -183848.5638 -149714.0378 297.4760 22.9756 54.8909 556466.2876 -1.5369 -1.7464 PRESSURE: 1868200 7.46628 43.9411 -18.1054 43.9406 -110.782 45.9392 -18.105 45.9393 -178.903 GPRESSURE: 1868200 74.3968 114.029 2.10505 67.7767 -98.2141 -12.7257 42.4765 77.1928 -147.94 PRESSAVG: 1868200 60.9145 12.8967 -11.876 12.8967 -59.1197 8.03559 -11.8761 8.03562 2.38412 GPRESSAVG: 1868200 61.9478 13.3355 -13.3234 12.2868 -59.0551 7.18866 -10.4787 9.40451 1.90381 TIMING: 1868200 CPU: 5423.06, 0.00287662/step Wall: 5423.06, 0.00287662/step, 2.5025 hours remaining, 206.863281 MB of memory in use. ENERGY: 1868200 720.9617 2107.4023 1965.2935 121.3893 -206581.6325 17744.5210 0.0000 0.0000 34094.8262 -149827.2384 297.7586 -183922.0646 -149727.7582 297.4442 -94.0727 -57.2525 556180.5002 1.3930 1.5988 LDB: ============= START OF LOAD BALANCING ============== 5426.52 LDB: ============== END OF LOAD BALANCING =============== 5426.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5426.53 LDB: ============= START OF LOAD BALANCING ============== 5426.82 LDB: Largest compute 4820 load 0.030278 is 25.7% of average load 0.117750 LDB: Average compute 0.001722 is 1.5% of average load 0.117750 LDB: TIME 5426.82 LOAD: AVG 0.11775 MAX 0.178616 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.363 MB LDB: TIME 5426.82 LOAD: AVG 0.11775 MAX 0.178616 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.363 MB LDB: TIME 5426.82 LOAD: AVG 0.11775 MAX 0.178616 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5426.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5426.83 PRESSURE: 1868400 -122.139 -60.0466 -54.6934 -60.0467 22.3529 164.971 -54.6943 164.971 -167.107 GPRESSURE: 1868400 -33.3205 -42.7414 -120.178 -56.844 47.4671 109.779 -13.8794 249.883 -173.621 PRESSAVG: 1868400 36.154 -19.949 0.702258 -19.9489 10.779 37.2458 0.702264 37.2459 -55.2133 GPRESSAVG: 1868400 37.2101 -19.3954 2.00059 -19.4704 11.3176 37.0148 1.07536 38.0665 -56.3884 TIMING: 1868400 CPU: 5423.65, 0.00295633/step Wall: 5423.65, 0.00295633/step, 2.57168 hours remaining, 205.359375 MB of memory in use. ENERGY: 1868400 749.5286 2067.1021 1961.2046 113.1304 -206103.2093 17529.4787 0.0000 0.0000 34004.3789 -149678.3860 296.9687 -183682.7648 -149577.2640 297.6375 -88.9642 -53.1580 555857.8344 -2.7601 -2.6203 PRESSURE: 1868600 -7.72538 -59.9672 66.8012 -59.9657 53.2234 142.265 66.8021 142.266 219.544 GPRESSURE: 1868600 -11.5132 -23.4021 118.638 -46.6847 97.8733 220.406 24.7412 25.0497 272.322 PRESSAVG: 1868600 10.3936 20.4312 -10.1015 20.4314 -5.36654 51.7112 -10.1014 51.7111 1.56841 GPRESSAVG: 1868600 9.40669 19.799 -9.12434 21.119 -4.72151 51.7437 -13.4045 50.4415 1.65354 TIMING: 1868600 CPU: 5424.23, 0.00290464/step Wall: 5424.23, 0.00290464/step, 2.52655 hours remaining, 205.359375 MB of memory in use. ENERGY: 1868600 759.6246 2084.9759 1977.4082 110.8667 -206628.7954 17959.8141 0.0000 0.0000 34067.9973 -149668.1086 297.5243 -183736.1060 -149577.6511 297.9007 88.3474 119.5607 555107.1269 2.1985 2.1129 PRESSURE: 1868800 -249.957 -20.1284 -63.3999 -20.1291 -41.2936 266.039 -63.3983 266.039 -168.637 GPRESSURE: 1868800 -307.025 -3.22164 -15.5567 -64.2301 41.1759 255.694 -22.9394 216.577 -91.2146 PRESSAVG: 1868800 -70.1067 55.2886 -41.3169 55.2885 7.44204 20.5446 -41.317 20.5445 69.8643 GPRESSAVG: 1868800 -71.293 55.1481 -41.8026 54.4441 8.31391 20.2393 -40.8483 21.2398 69.5274 TIMING: 1868800 CPU: 5424.81, 0.00290052/step Wall: 5424.81, 0.00290052/step, 2.5228 hours remaining, 205.359375 MB of memory in use. ENERGY: 1868800 821.7513 2128.4880 1986.4933 121.7464 -206702.9727 17825.5435 0.0000 0.0000 34160.5752 -149658.3749 298.3328 -183818.9501 -149557.6662 297.8386 -153.2960 -119.0212 557080.9774 2.3999 2.1828 PRESSURE: 1869000 311.024 -96.5387 -102.749 -96.5373 140.363 -151.008 -102.749 -151.006 -71.389 GPRESSURE: 1869000 370.519 25.9267 -84.5914 -118.66 70.6238 -175.96 -37.5177 -131.725 44.3754 PRESSAVG: 1869000 -57.3322 -1.35765 -25.153 -1.35762 32.5196 8.95563 -25.153 8.95565 63.8176 GPRESSAVG: 1869000 -57.234 0.0233798 -27.0239 -2.70395 30.3381 9.86401 -22.8924 9.38028 66.231 TIMING: 1869000 CPU: 5425.39, 0.00288965/step Wall: 5425.39, 0.00288965/step, 2.51319 hours remaining, 205.359375 MB of memory in use. ENERGY: 1869000 745.3132 2092.4846 1957.8271 110.2803 -206619.8853 17912.2846 0.0000 0.0000 33906.6588 -149895.0368 296.1153 -183801.6956 -149803.1435 298.4621 126.6660 161.8393 556672.8738 13.0017 13.1117 PRESSURE: 1869200 7.19122 -88.3056 146.946 -88.306 22.5254 -50.8016 146.944 -50.8015 -37.4808 GPRESSURE: 1869200 101.189 -94.5381 118.1 -57.6734 24.174 1.65296 193.757 -93.8101 -29.061 PRESSAVG: 1869200 35.2249 13.1519 -38.2539 13.1519 -30.8624 13.846 -38.254 13.8459 -19.8053 GPRESSAVG: 1869200 35.8327 13.0694 -38.0619 14.1079 -30.5418 13.9067 -38.4085 13.7134 -20.501 TIMING: 1869200 CPU: 5425.97, 0.00288989/step Wall: 5425.97, 0.00288989/step, 2.51324 hours remaining, 205.359375 MB of memory in use. ENERGY: 1869200 748.8666 2103.3137 1998.6533 105.0782 -206678.3468 17925.3637 0.0000 0.0000 34040.7073 -149756.3641 297.2860 -183797.0713 -149666.1694 297.3632 -2.5880 32.1005 555509.8716 -5.1476 -5.0700 PRESSURE: 1869400 165.749 -65.5588 173.539 -65.5602 66.0964 95.4928 173.538 95.4939 -175.697 GPRESSURE: 1869400 202.503 -79.7362 202.662 -28.2341 61.8293 26.041 114.267 158.483 -119.298 PRESSAVG: 1869400 -0.105842 5.88963 -17.9643 5.88961 20.5195 1.06141 -17.9643 1.06141 -39.0381 GPRESSAVG: 1869400 -0.558462 3.98516 -15.3657 6.22816 21.0884 -1.60015 -19.7576 0.951871 -39.1105 TIMING: 1869400 CPU: 5426.55, 0.00288963/step Wall: 5426.55, 0.00288963/step, 2.51286 hours remaining, 205.359375 MB of memory in use. ENERGY: 1869400 739.9291 2052.8355 1986.0041 121.8335 -206306.6596 17767.9659 0.0000 0.0000 33980.5852 -149657.5062 296.7609 -183638.0915 -149565.1040 298.7160 18.7160 48.3446 556322.1590 -6.2081 -6.1935 PRESSURE: 1869600 -106.894 178.154 117.19 178.155 -95.2352 52.4109 117.19 52.411 -203.594 GPRESSURE: 1869600 -110.654 87.233 195.605 193.527 -64.8396 40.9676 61.857 27.6186 -119.697 PRESSAVG: 1869600 7.79092 31.6168 6.39764 31.6169 71.3127 42.0465 6.39764 42.0465 -51.9018 GPRESSAVG: 1869600 6.73545 30.9325 5.18385 30.6019 71.9765 44.3879 8.29531 42.0071 -51.7818 TIMING: 1869600 CPU: 5427.13, 0.00290026/step Wall: 5427.13, 0.00290026/step, 2.52194 hours remaining, 205.359375 MB of memory in use. ENERGY: 1869600 743.2469 2057.4029 1973.7055 115.5985 -206221.0077 17623.1989 0.0000 0.0000 34281.7149 -149426.1401 299.3907 -183707.8550 -149328.6868 298.0864 -135.2410 -98.3966 555540.3921 9.0673 8.9767 PRESSURE: 1869800 169.244 121.695 -84.8814 121.696 -276.57 87.9511 -84.8811 87.9502 250.684 GPRESSURE: 1869800 208.881 96.5965 -111.29 205.548 -228.48 92.7904 -113.559 33.6465 258.02 PRESSAVG: 1869800 13.6751 90.832 36.6499 90.832 -88.6269 46.8067 36.65 46.8067 40.2086 GPRESSAVG: 1869800 14.8989 93.0426 36.0745 92.1593 -89.0593 43.1331 33.3305 46.9545 39.1595 TIMING: 1869800 CPU: 5427.7, 0.00288798/step Wall: 5427.7, 0.00288798/step, 2.5111 hours remaining, 205.359375 MB of memory in use. ENERGY: 1869800 731.5174 2076.2518 1984.1669 109.1575 -206699.2115 17915.8280 0.0000 0.0000 34314.5293 -149567.7606 299.6773 -183882.2899 -149465.5237 298.0533 47.7861 79.4740 555845.3667 -11.5811 -11.6670 PRESSURE: 1870000 -18.3143 -67.0916 3.43565 -67.0914 -149.796 172.2 3.43761 172.199 110.215 GPRESSURE: 1870000 50.9179 -82.126 32.9823 -35.3171 -115.49 134.154 -43.8728 206.741 111.372 PRESSAVG: 1870000 55.5169 7.94417 63.4634 7.94421 -29.2726 40.5202 63.4635 40.5201 -0.979551 GPRESSAVG: 1870000 54.1174 6.29317 63.4848 8.12353 -29.2749 44.3023 64.931 40.1927 -0.284849 TIMING: 1870000 CPU: 5428.28, 0.00289138/step Wall: 5428.28, 0.00289138/step, 2.51389 hours remaining, 205.359375 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: 1870000 747.4875 2043.0348 1973.7054 110.1076 -206290.1531 17723.3058 0.0000 0.0000 34209.9491 -149482.5629 298.7640 -183692.5120 -149391.5637 298.4786 -19.2984 15.5999 557394.6071 8.4216 8.1859 PRESSURE: 1870200 -117.874 18.601 71.6326 18.6025 -28.7628 -146.591 71.6311 -146.589 -45.0602 GPRESSURE: 1870200 -84.3315 -77.5716 135.363 100.012 4.0811 -192.927 -0.975761 -71.5475 -20.4612 PRESSAVG: 1870200 17.0709 11.4619 25.1284 11.4619 -66.5737 34.6914 25.1284 34.6914 47.1236 GPRESSAVG: 1870200 17.4175 10.5768 23.9726 11.4369 -66.2193 32.9115 25.3214 35.2588 46.7698 TIMING: 1870200 CPU: 5428.86, 0.00289582/step Wall: 5428.86, 0.00289582/step, 2.51759 hours remaining, 205.359375 MB of memory in use. ENERGY: 1870200 729.6455 2057.2003 1964.5477 98.8475 -206050.7884 17675.7872 0.0000 0.0000 33974.6043 -149550.1559 296.7087 -183524.7602 -149455.3315 298.0540 -63.8989 -33.5705 556661.3621 -0.7931 -0.6773 PRESSURE: 1870400 -477.136 86.2013 -179.514 86.2011 -331.02 -7.4987 -179.513 -7.49672 -234.142 GPRESSURE: 1870400 -441.154 121.753 -197.762 7.07082 -350.731 -5.09214 -181.768 121.073 -165.863 PRESSAVG: 1870400 24.0094 15.2124 52.988 15.2124 -49.6954 0.203741 52.9881 0.203756 7.64157 GPRESSAVG: 1870400 25.1517 16.2737 55.0736 15.5198 -50.0502 0.922474 50.617 0.767288 6.05018 TIMING: 1870400 CPU: 5429.44, 0.0028905/step Wall: 5429.44, 0.0028905/step, 2.51281 hours remaining, 205.359375 MB of memory in use. ENERGY: 1870400 786.1458 2106.8625 1973.9072 117.2711 -206394.0419 17573.8924 0.0000 0.0000 34199.5423 -149636.4206 298.6731 -183835.9629 -149537.6617 298.0491 -347.4327 -319.2491 558968.8609 -6.0148 -6.2828 PRESSURE: 1870600 23.0219 144.063 -126.852 144.061 177.101 -149.902 -126.851 -149.901 -94.0444 GPRESSURE: 1870600 40.1931 52.4746 -134.065 144.513 218.053 -156.899 -47.6002 -108.652 -61.0888 PRESSAVG: 1870600 14.3648 24.2829 -0.995113 24.283 -50.0588 23.9615 -0.995054 23.9615 70.3546 GPRESSAVG: 1870600 13.8062 24.2608 -3.84578 24.6752 -50.4768 24.139 1.91418 22.1731 71.0777 TIMING: 1870600 CPU: 5430.01, 0.00286894/step Wall: 5430.01, 0.00286894/step, 2.49391 hours remaining, 205.449219 MB of memory in use. ENERGY: 1870600 709.2513 2106.3595 1959.6189 105.4431 -206383.7515 17817.4027 0.0000 0.0000 34183.6183 -149502.0576 298.5340 -183685.6760 -149403.1629 298.4534 35.3596 65.7193 556531.9766 11.5536 11.4690 PRESSURE: 1870800 -148.05 -16.4594 218.709 -16.4597 -157.145 22.8679 218.709 22.8676 -55.022 GPRESSURE: 1870800 -82.8795 54.189 232.893 -69.6573 -131.411 -24.0497 116.981 51.472 -57.4213 PRESSAVG: 1870800 8.13206 26.4706 -48.2669 26.4706 -39.1947 8.0396 -48.2669 8.0396 20.9538 GPRESSAVG: 1870800 8.17315 28.0792 -47.9811 26.6016 -39.8124 8.0448 -49.7537 7.76137 21.5434 TIMING: 1870800 CPU: 5430.59, 0.00287513/step Wall: 5430.59, 0.00287513/step, 2.49913 hours remaining, 205.449219 MB of memory in use. ENERGY: 1870800 768.1805 2067.0501 1983.3424 122.2471 -206337.2178 17706.1191 0.0000 0.0000 34187.0862 -149503.1925 298.5643 -183690.2787 -149402.4416 298.1443 -120.0723 -90.5704 555235.7112 -3.3696 -3.3653 PRESSURE: 1871000 -366.683 121.261 69.8068 121.261 -277.558 59.2833 69.8063 59.2834 -177.133 GPRESSURE: 1871000 -316.707 167.027 142.549 118.041 -232.951 13.1673 16.2836 29.996 -171.593 PRESSAVG: 1871000 -15.2997 51.1851 -27.1008 51.1851 34.9292 46.9245 -27.1009 46.9247 -10.8975 GPRESSAVG: 1871000 -16.2912 49.4244 -24.8487 51.7447 36.302 46.7695 -26.1564 48.9871 -11.0699 TIMING: 1871000 CPU: 5431.17, 0.00289319/step Wall: 5431.17, 0.00289319/step, 2.51466 hours remaining, 205.449219 MB of memory in use. ENERGY: 1871000 778.8941 2143.0617 1953.9096 112.6124 -205846.3831 17265.1432 0.0000 0.0000 34216.1289 -149376.6334 298.8180 -183592.7622 -149277.4006 298.4031 -273.7914 -240.4169 556380.2468 2.9107 2.9803 PRESSURE: 1871200 32.9334 -24.0302 120.641 -24.0302 240.182 85.4318 120.641 85.4336 -326.284 GPRESSURE: 1871200 57.6345 -52.5132 113.327 42.583 256.699 4.98609 134.624 143.582 -265.114 PRESSAVG: 1871200 -24.9937 34.9484 62.3291 34.9483 33.1245 53.4113 62.329 53.4113 -15.8299 GPRESSAVG: 1871200 -24.7037 37.5275 62.8235 32.4619 31.616 52.1313 60.6208 55.6405 -14.3232 TIMING: 1871200 CPU: 5431.74, 0.00288998/step Wall: 5431.74, 0.00288998/step, 2.51172 hours remaining, 205.449219 MB of memory in use. ENERGY: 1871200 747.1347 2043.1253 1976.8317 117.1959 -205951.3274 17617.5483 0.0000 0.0000 34185.9497 -149263.5419 298.5544 -183449.4916 -149166.2661 299.2807 -17.7231 16.4064 555225.9805 -2.5664 -2.4703 PRESSURE: 1871400 96.6523 32.1421 -12.3158 32.142 82.5179 -44.2378 -12.3163 -44.2385 163.834 GPRESSURE: 1871400 128.791 40.7337 -27.8822 2.70171 174.876 -29.9354 -75.4506 -40.7785 149.624 PRESSAVG: 1871400 -0.712957 3.90986 38.5003 3.90984 13.289 -20.7245 38.5003 -20.7245 27.2579 GPRESSAVG: 1871400 -0.483356 3.49473 35.71 4.61678 13.7619 -18.1863 40.1051 -24.4588 26.2064 TIMING: 1871400 CPU: 5432.32, 0.00290395/step Wall: 5432.32, 0.00290395/step, 2.5237 hours remaining, 205.449219 MB of memory in use. ENERGY: 1871400 708.8533 2058.6726 1998.9498 102.5379 -206657.0833 17995.2727 0.0000 0.0000 34633.2183 -149159.5786 302.4605 -183792.7969 -149063.6384 299.3269 114.3348 151.0969 556917.2066 13.2780 13.1616 PRESSURE: 1871600 -213.878 -224.702 55.9351 -224.702 -276.432 -21.0512 55.935 -21.0501 -262.554 GPRESSURE: 1871600 -216.642 -125.721 15.9679 -272.013 -229.52 -39.2303 50.8396 -33.157 -216.869 PRESSAVG: 1871600 6.09575 -53.9579 -15.5584 -53.9579 27.3516 4.72727 -15.5584 4.72717 15.793 GPRESSAVG: 1871600 5.67208 -54.5176 -14.7501 -50.7251 27.2172 4.05566 -15.7628 6.48761 16.5075 TIMING: 1871600 CPU: 5432.9, 0.00288849/step Wall: 5432.9, 0.00288849/step, 2.51009 hours remaining, 205.449219 MB of memory in use. ENERGY: 1871600 758.9335 2151.4701 1975.8376 106.0238 -206233.2218 17639.7706 0.0000 0.0000 34206.1814 -149395.0048 298.7311 -183601.1862 -149295.3408 299.6550 -250.9545 -221.0104 557840.3852 16.4134 16.4656 PRESSURE: 1871800 -52.8931 168.167 261.025 168.167 141.25 -85.8707 261.024 -85.8719 -158.333 GPRESSURE: 1871800 29.2869 88.5753 224.606 237.581 129.614 -151.4 306.347 -57.6787 -139.838 PRESSAVG: 1871800 -20.6638 -17.5024 -3.28158 -17.5023 -62.8777 -2.43202 -3.28159 -2.43202 47.9699 GPRESSAVG: 1871800 -20.9038 -16.3266 -4.02157 -20.4131 -63.7737 -2.45979 -2.70889 -2.6438 48.3504 TIMING: 1871800 CPU: 5433.48, 0.00289969/step Wall: 5433.48, 0.00289969/step, 2.51967 hours remaining, 205.449219 MB of memory in use. ENERGY: 1871800 768.0970 2112.4534 1972.8968 114.1532 -206436.8029 17724.1657 0.0000 0.0000 34239.5281 -149505.5086 299.0223 -183745.0367 -149411.8459 298.8780 -23.3256 6.3543 556223.4860 -11.8572 -12.1090 PRESSURE: 1872000 204.108 -170.085 171.316 -170.085 -109.181 -151.879 171.315 -151.876 -181.128 GPRESSURE: 1872000 197.587 -215.841 137.855 -239.01 -41.0958 -220.394 170.568 -53.3328 -148.021 PRESSAVG: 1872000 -19.5596 -44.2278 -61.4093 -44.2278 -20.6932 -28.917 -61.4093 -28.9169 -4.48781 GPRESSAVG: 1872000 -18.3986 -47.1652 -61.1096 -41.8257 -20.3479 -29.0559 -60.9735 -29.3173 -6.11973 TIMING: 1872000 CPU: 5434.06, 0.00288515/step Wall: 5434.06, 0.00288515/step, 2.50687 hours remaining, 205.449219 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: 1872000 760.8976 2118.5665 1966.7328 106.2543 -206325.8985 17744.0533 0.0000 0.0000 34269.0476 -149360.3464 299.2801 -183629.3940 -149259.3905 298.6710 -28.7336 2.8235 558536.0868 -14.9135 -14.9554 PRESSURE: 1872200 -31.9975 92.669 142.052 92.6686 -169.514 -161.941 142.053 -161.94 -105.058 GPRESSURE: 1872200 45.1629 126.273 96.8733 14.2852 -97.2372 -90.2254 153.397 -198.519 -152.89 PRESSAVG: 1872200 8.00329 -19.6982 55.5455 -19.6981 18.0983 -84.593 55.5455 -84.5929 -19.4455 GPRESSAVG: 1872200 7.1865 -17.7992 55.7429 -22.883 18.3072 -84.2124 54.6636 -84.0552 -18.861 TIMING: 1872200 CPU: 5434.64, 0.00289021/step Wall: 5434.64, 0.00289021/step, 2.51111 hours remaining, 205.449219 MB of memory in use. ENERGY: 1872200 730.1275 2105.6451 1958.3653 116.9978 -206244.3529 17666.9148 0.0000 0.0000 34223.7026 -149442.5997 298.8841 -183666.3024 -149346.0247 298.1335 -102.1897 -68.3214 556994.3372 2.2187 2.2109 LDB: ============= START OF LOAD BALANCING ============== 5438.1 LDB: ============== END OF LOAD BALANCING =============== 5438.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5438.1 LDB: ============= START OF LOAD BALANCING ============== 5438.4 LDB: Largest compute 4821 load 0.029249 is 24.8% of average load 0.117757 LDB: Average compute 0.001728 is 1.5% of average load 0.117757 LDB: TIME 5438.4 LOAD: AVG 0.117757 MAX 0.178122 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.105 MB LDB: TIME 5438.4 LOAD: AVG 0.117757 MAX 0.178122 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: TIME 5438.4 LOAD: AVG 0.117757 MAX 0.178122 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: ============== END OF LOAD BALANCING =============== 5438.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5438.4 PRESSURE: 1872400 -66.7055 -24.0703 -69.9382 -24.0707 -195.347 104.582 -69.9383 104.584 -166.213 GPRESSURE: 1872400 -4.70771 -30.0041 -41.7812 -26.6915 -200.147 69.2295 -80.2972 167.275 -128.519 PRESSAVG: 1872400 49.5777 7.94734 46.2462 7.94743 -30.8529 8.31426 46.2462 8.31434 -49.2633 GPRESSAVG: 1872400 49.1139 6.56105 45.6915 9.96949 -30.3869 7.66941 44.3314 8.94125 -48.9651 TIMING: 1872400 CPU: 5435.23, 0.0029558/step Wall: 5435.23, 0.0029558/step, 2.56793 hours remaining, 206.386719 MB of memory in use. ENERGY: 1872400 739.9138 2138.5073 1945.5426 116.0048 -206012.5042 17629.2797 0.0000 0.0000 34152.9293 -149290.3267 298.2660 -183443.2559 -149204.8033 298.4680 -142.7552 -111.1243 558993.5179 -10.1795 -10.0794 PRESSURE: 1872600 82.5473 -60.9693 15.5982 -60.9717 -169.212 -168.009 15.5979 -168.009 37.6259 GPRESSURE: 1872600 136.697 -132.622 39.5048 -99.242 -152.587 -246.35 -27.0983 -174.047 57.4177 PRESSAVG: 1872600 -10.6923 37.2645 99.4508 37.2645 -6.46841 -22.82 99.4509 -22.82 18.1946 GPRESSAVG: 1872600 -10.2777 39.3592 98.8265 37.6599 -8.04306 -24.1651 101.214 -24.4642 19.3464 TIMING: 1872600 CPU: 5435.81, 0.00289024/step Wall: 5435.81, 0.00289024/step, 2.51081 hours remaining, 206.847656 MB of memory in use. ENERGY: 1872600 752.5636 2056.2884 1957.0915 105.3119 -206294.7863 17880.2413 0.0000 0.0000 34327.9394 -149215.3502 299.7944 -183543.2897 -149122.3738 298.4921 -16.3462 13.8426 557541.8926 0.3446 0.3419 PRESSURE: 1872800 -116.118 -71.3578 -81.0423 -71.3585 1.65331 21.4558 -81.0432 21.4575 74.9797 GPRESSURE: 1872800 -104.047 -109.627 -50.7185 -45.4915 -11.5982 -28.6471 -131.342 16.1042 163.382 PRESSAVG: 1872800 14.5283 63.0061 24.7201 63.0061 -19.0971 24.4276 24.7201 24.4276 22.6665 GPRESSAVG: 1872800 14.9049 62.9263 24.7436 61.9122 -17.8424 24.3751 26.0162 27.2123 20.8303 TIMING: 1872800 CPU: 5436.39, 0.00292342/step Wall: 5436.39, 0.00292342/step, 2.53948 hours remaining, 206.847656 MB of memory in use. ENERGY: 1872800 721.6789 2082.4346 1946.5266 115.2103 -206419.0387 17918.4732 0.0000 0.0000 34364.7735 -149269.9415 300.1161 -183634.7151 -149178.2402 299.3516 -13.1615 15.9121 558259.0235 6.0326 5.9643 PRESSURE: 1873000 -126.188 205.927 44.8447 205.927 -31.4843 -91.6905 44.8443 -91.6905 102.505 GPRESSURE: 1873000 -59.088 243.824 -48.4446 236.592 24.0879 -111.228 17.8206 -120.539 77.5644 PRESSAVG: 1873000 -21.0906 47.7469 2.85837 47.747 -13.0954 -32.2986 2.85841 -32.2985 -13.5367 GPRESSAVG: 1873000 -20.2484 47.0902 2.92059 48.1744 -14.5212 -30.6001 0.71178 -33.171 -13.1816 TIMING: 1873000 CPU: 5436.97, 0.00288691/step Wall: 5436.97, 0.00288691/step, 2.5076 hours remaining, 206.847656 MB of memory in use. ENERGY: 1873000 742.1514 2088.5120 1979.0080 106.4878 -206725.4306 17978.0329 0.0000 0.0000 34474.5185 -149356.7200 301.0745 -183831.2384 -149258.0252 298.9804 -18.3892 14.1881 556816.9257 -15.9076 -15.9837 PRESSURE: 1873200 29.8827 32.0273 -37.114 32.0286 -141.262 -62.5154 -37.1133 -62.5159 -162.475 GPRESSURE: 1873200 52.3172 22.3543 -11.8277 45.4336 -128.835 -152.827 -56.897 34.8869 -100.742 PRESSAVG: 1873200 -9.98078 0.309739 11.8541 0.309753 -7.12535 -59.1743 11.8541 -59.1742 27.3569 GPRESSAVG: 1873200 -10.8104 1.03942 11.175 -0.342494 -6.36975 -60.5143 13.7554 -60.4114 27.1252 TIMING: 1873200 CPU: 5437.54, 0.00285987/step Wall: 5437.54, 0.00285987/step, 2.48396 hours remaining, 206.917969 MB of memory in use. ENERGY: 1873200 711.1033 2086.7241 1950.8288 105.5208 -206230.5846 17770.4121 0.0000 0.0000 34219.2475 -149386.7480 298.8452 -183605.9955 -149291.4624 298.3927 -91.2847 -59.0866 557926.5798 3.4169 3.3150 PRESSURE: 1873400 190.731 85.7317 -8.96504 85.7324 -41.6425 134.624 -8.96454 134.622 36.6023 GPRESSURE: 1873400 208.39 171.041 -68.6274 -24.2479 -11.4181 96.9634 61.8627 193.523 81.5853 PRESSAVG: 1873400 13.3468 -53.6076 9.71677 -53.6076 -25.8204 11.8669 9.71675 11.8668 -0.458505 GPRESSAVG: 1873400 13.1226 -53.8666 11.5866 -53.3195 -25.7003 14.3912 8.32468 13.4327 -0.26871 TIMING: 1873400 CPU: 5438.12, 0.00287696/step Wall: 5438.12, 0.00287696/step, 2.49864 hours remaining, 206.917969 MB of memory in use. ENERGY: 1873400 704.2844 2049.4617 1969.2139 116.4342 -206409.3351 17778.4528 0.0000 0.0000 34348.8390 -149442.6491 299.9770 -183791.4881 -149347.8821 298.3996 61.8969 92.8525 556020.8237 -4.3107 -4.2821 PRESSURE: 1873600 -9.43381 52.6073 -28.9605 52.6069 128.604 90.3443 -28.9612 90.3428 -70.7743 GPRESSURE: 1873600 13.4683 79.5687 35.5293 -11.7499 137.342 131.485 21.3145 31.9277 -10.0938 PRESSAVG: 1873600 5.64426 -16.8313 24.0208 -16.8313 7.59507 14.0109 24.0209 14.0108 0.376432 GPRESSAVG: 1873600 5.72592 -16.1456 21.8653 -17.0725 7.322 13.3222 26.1088 13.2867 0.534097 TIMING: 1873600 CPU: 5438.69, 0.00287098/step Wall: 5438.69, 0.00287098/step, 2.49329 hours remaining, 207.121094 MB of memory in use. ENERGY: 1873600 740.7773 2071.2330 1933.6085 101.4812 -206393.9872 17844.4069 0.0000 0.0000 34241.4233 -149461.0570 299.0389 -183702.4803 -149365.3962 298.1344 16.1321 46.9054 557493.8123 4.5386 4.5273 PRESSURE: 1873800 -91.4177 93.0214 126.218 93.022 107.202 -85.4071 126.218 -85.4087 -176.839 GPRESSURE: 1873800 -62.1583 112.499 71.2962 71.4394 129.587 -23.9912 149.617 -44.6728 -120.573 PRESSAVG: 1873800 24.5183 -19.0934 46.2602 -19.0935 3.85442 -17.1754 46.2603 -17.1754 -62.2838 GPRESSAVG: 1873800 24.2003 -17.28 48.2448 -17.805 4.23794 -19.6771 44.3948 -15.0545 -62.1625 TIMING: 1873800 CPU: 5439.27, 0.0029022/step Wall: 5439.27, 0.0029022/step, 2.52023 hours remaining, 207.121094 MB of memory in use. ENERGY: 1873800 736.3809 2092.9057 1933.2876 107.5691 -206365.6729 17786.5268 0.0000 0.0000 34130.0647 -149578.9383 298.0663 -183709.0029 -149487.9490 298.2601 -53.6849 -17.7148 557768.4598 -11.3037 -11.2414 PRESSURE: 1874000 -44.8025 -177.91 1.7645 -177.91 -16.4758 291.527 1.76411 291.529 -190.505 GPRESSURE: 1874000 -20.504 -119.553 100.749 -233.19 68.0221 313.998 -25.9816 244.109 -220.971 PRESSAVG: 1874000 17.4543 3.5457 74.3146 3.54575 22.6007 54.0832 74.3146 54.0832 -52.9968 GPRESSAVG: 1874000 17.3346 1.80336 73.636 3.85896 23.2417 55.784 74.511 51.9222 -53.6122 TIMING: 1874000 CPU: 5439.84, 0.00286995/step Wall: 5439.84, 0.00286995/step, 2.49208 hours remaining, 207.121094 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: 1874000 779.7773 2028.8019 1922.5607 100.4060 -206412.9886 17866.6012 0.0000 0.0000 34173.2515 -149541.5900 298.4435 -183714.8415 -149446.7761 297.5342 -83.9278 -57.8178 558582.9119 -4.3139 -4.3453 PRESSURE: 1874200 -43.0465 22.6067 -176.917 22.6077 -64.7667 1.51326 -176.917 1.51302 -279.475 GPRESSURE: 1874200 -22.5384 -1.73653 -69.7463 29.2798 -39.3096 -31.6879 -238.108 31.1574 -218.211 PRESSAVG: 1874200 33.6237 -62.0411 -6.66712 -62.0411 -59.2377 -18.7457 -6.6671 -18.7457 12.278 GPRESSAVG: 1874200 33.785 -63.1883 -4.8327 -62.0471 -60.4947 -18.1616 -6.67932 -19.6495 13.0025 TIMING: 1874200 CPU: 5440.42, 0.00287223/step Wall: 5440.42, 0.00287223/step, 2.49389 hours remaining, 207.121094 MB of memory in use. ENERGY: 1874200 755.2785 2065.6831 1933.7859 98.7396 -206042.8590 17685.6352 0.0000 0.0000 34001.8868 -149501.8499 296.9469 -183503.7367 -149402.7011 297.9542 -129.0960 -93.3529 558979.9025 -4.4453 -4.5691 PRESSURE: 1874400 6.01079 -95.9768 40.9691 -95.9765 45.7854 -47.3013 40.9674 -47.3023 281.327 GPRESSURE: 1874400 71.2891 -36.0315 49.9999 -135.896 104.066 -12.4181 -21.5758 -99.6872 256.107 PRESSAVG: 1874400 82.4206 -15.7837 -80.2334 -15.7838 -26.6746 7.99329 -80.2334 7.99321 -0.161021 GPRESSAVG: 1874400 82.0707 -14.6057 -82.834 -15.4859 -25.3629 6.63779 -77.9603 7.96907 -1.44786 TIMING: 1874400 CPU: 5441, 0.0029086/step Wall: 5441, 0.0029086/step, 2.52531 hours remaining, 207.121094 MB of memory in use. ENERGY: 1874400 722.8793 2144.5298 1954.7074 121.4680 -206633.0944 18048.8040 0.0000 0.0000 34205.6795 -149435.0265 298.7267 -183640.7059 -149331.4295 298.1310 111.0412 143.8209 557121.9769 18.5283 18.4200 PRESSURE: 1874600 -383.682 -126.14 -39.4447 -126.141 65.5959 4.28608 -39.4457 4.28676 3.8076 GPRESSURE: 1874600 -382.006 -195.643 29.7304 -15.736 167.892 30.7928 -67.427 -25.1476 -2.4223 PRESSAVG: 1874600 -19.8877 -11.9775 -44.276 -11.9774 -20.072 -0.808962 -44.2759 -0.809014 65.953 GPRESSAVG: 1874600 -20.5474 -13.5087 -43.1091 -10.8115 -21.1091 -0.751354 -45.9384 -1.29026 67.3838 TIMING: 1874600 CPU: 5441.58, 0.00287448/step Wall: 5441.58, 0.00287448/step, 2.49553 hours remaining, 207.121094 MB of memory in use. ENERGY: 1874600 761.3186 2038.2058 1965.6115 116.8922 -206178.6725 17791.5595 0.0000 0.0000 34013.6617 -149491.4232 297.0498 -183505.0850 -149402.0547 298.3149 -104.7596 -72.1788 558329.1727 8.6644 8.5758 PRESSURE: 1874800 -118.649 113.492 -127.777 113.491 -35.7256 -67.1211 -127.776 -67.1219 45.7141 GPRESSURE: 1874800 -40.1896 88.6333 -119.171 140.581 -26.1835 24.9113 -106.481 -45.0029 57.8254 PRESSAVG: 1874800 -77.5822 -56.6272 -49.2463 -56.6271 47.1493 22.757 -49.2462 22.7568 51.5439 GPRESSAVG: 1874800 -77.2082 -55.9242 -49.4616 -57.857 47.5416 22.3006 -50.2514 24.331 51.1218 TIMING: 1874800 CPU: 5442.15, 0.00287491/step Wall: 5442.15, 0.00287491/step, 2.49574 hours remaining, 207.121094 MB of memory in use. ENERGY: 1874800 715.5102 2094.5566 1954.5336 124.0782 -206537.8562 17686.8769 0.0000 0.0000 34349.1683 -149613.1325 299.9798 -183962.3008 -149515.1956 298.2351 -36.2201 -2.8492 555821.3746 7.0370 7.1517 PRESSURE: 1875000 -79.0167 213.629 -138.254 213.629 65.5632 -84.6191 -138.254 -84.6192 -99.2488 GPRESSURE: 1875000 -81.8039 164.827 -117.28 152.484 150.871 -101.028 -218.833 -129.054 -97.7818 PRESSAVG: 1875000 13.2093 53.0816 -35.1805 53.0816 -22.8446 -6.92266 -35.1804 -6.92277 28.6427 GPRESSAVG: 1875000 12.8732 53.0059 -36.0252 51.1407 -22.1474 -7.50864 -33.9969 -7.4888 28.3159 TIMING: 1875000 CPU: 5442.73, 0.00289008/step Wall: 5442.73, 0.00289008/step, 2.50875 hours remaining, 207.121094 MB of memory in use. ENERGY: 1875000 688.2435 2125.3333 1953.9168 108.9006 -206433.7225 17668.1578 0.0000 0.0000 34280.0664 -149609.1042 299.3763 -183889.1706 -149516.4984 298.4251 -37.5675 -9.5716 557121.4303 6.3358 6.3472 PRESSURE: 1875200 -292.583 -72.9909 -40.9684 -72.9898 57.3316 -32.3823 -40.9686 -32.3813 -123.676 GPRESSURE: 1875200 -287.871 -122.238 -37.0985 -42.3278 121.846 -29.0344 8.06643 -6.20207 -90.8262 PRESSAVG: 1875200 -21.2368 8.90665 -5.49899 8.90664 45.0669 5.48453 -5.49893 5.48469 6.2224 GPRESSAVG: 1875200 -21.6347 10.5112 -4.58473 8.82952 45.326 5.79653 -6.26124 6.59853 6.86498 TIMING: 1875200 CPU: 5443.31, 0.00289598/step Wall: 5443.31, 0.00289598/step, 2.51371 hours remaining, 207.121094 MB of memory in use. ENERGY: 1875200 768.4843 2099.7063 1945.4154 113.1731 -206447.5506 17680.8601 0.0000 0.0000 34171.8274 -149668.0840 298.4311 -183839.9114 -149570.5306 298.2120 -119.6425 -85.6172 557348.9882 10.0175 10.1854 PRESSURE: 1875400 33.6858 -67.9977 1.20708 -67.9966 -95.2375 15.255 1.20617 15.2541 264.76 GPRESSURE: 1875400 54.5648 -45.4839 -24.0825 -75.7917 -38.967 93.1039 62.1847 -52.8143 279.752 PRESSAVG: 1875400 -35.8927 9.86485 12.4908 9.86493 11.6575 8.58226 12.4908 8.58222 3.70348 GPRESSAVG: 1875400 -35.8443 7.16334 11.3556 9.77646 11.0853 9.43267 12.9869 5.81902 4.16796 TIMING: 1875400 CPU: 5443.89, 0.00289391/step Wall: 5443.89, 0.00289391/step, 2.51175 hours remaining, 207.121094 MB of memory in use. ENERGY: 1875400 745.8819 2068.8930 1948.4262 116.7001 -206837.9306 18294.2765 0.0000 0.0000 33905.1241 -149758.6289 296.1019 -183663.7530 -149663.2775 297.6924 67.7360 98.4498 558511.7746 -6.8439 -6.8637 PRESSURE: 1875600 -97.0745 53.331 31.9697 53.331 -428.864 51.6573 31.9685 51.6594 -205.324 GPRESSURE: 1875600 -130.738 -22.4717 -7.4919 58.4307 -357.963 -58.7995 63.6972 80.7145 -150.541 PRESSAVG: 1875600 7.85123 10.4341 1.71768 10.4341 -5.79614 16.8224 1.71773 16.8223 -35.8189 GPRESSAVG: 1875600 8.38142 9.89341 0.527567 11.1592 -6.1391 15.4738 2.78527 18.3485 -36.309 TIMING: 1875600 CPU: 5444.46, 0.00289049/step Wall: 5444.46, 0.00289049/step, 2.50863 hours remaining, 207.121094 MB of memory in use. ENERGY: 1875600 737.6400 2055.1136 1946.4554 111.6284 -206029.6078 17569.7311 0.0000 0.0000 34044.6375 -149564.4019 297.3203 -183609.0393 -149470.2317 298.6517 -243.7540 -213.0805 559803.9122 -11.2546 -11.3555 PRESSURE: 1875800 57.5412 -13.1503 -65.8762 -13.1522 -438 -102.728 -65.876 -102.729 20.405 GPRESSURE: 1875800 92.2811 -77.6294 56.9655 -33.7734 -397.398 -80.5957 -94.3897 -105.349 48.2925 PRESSAVG: 1875800 14.4268 35.6472 -51.2233 35.6472 25.9939 28.4061 -51.2234 28.4062 -18.7384 GPRESSAVG: 1875800 14.6647 35.4602 -49.2353 37.3169 26.1698 27.9366 -51.1815 28.9572 -18.7964 TIMING: 1875800 CPU: 5445.04, 0.00285598/step Wall: 5445.04, 0.00285598/step, 2.47852 hours remaining, 207.121094 MB of memory in use. ENERGY: 1875800 751.5141 2156.3984 1939.0103 103.8460 -206243.0292 17720.3163 0.0000 0.0000 34071.8963 -149500.0477 297.5583 -183571.9440 -149410.1023 298.5318 -120.0180 -85.6081 557424.0529 7.2275 7.3460 PRESSURE: 1876000 -212.615 67.3772 -104.507 67.3775 -362.037 42.9144 -104.507 42.9123 -207.872 GPRESSURE: 1876000 -226.009 75.3795 -41.8184 17.2456 -269.696 52.7117 -105.083 52.9304 -185.867 PRESSAVG: 1876000 8.95623 -3.79019 7.54633 -3.79018 -33.3314 32.8507 7.54645 32.8505 32.9883 GPRESSAVG: 1876000 8.45578 -2.68162 7.76439 -4.70827 -33.2434 35.0306 8.20741 31.087 33.627 TIMING: 1876000 CPU: 5445.61, 0.00286154/step Wall: 5445.61, 0.00286154/step, 2.48318 hours remaining, 207.121094 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: 1876000 755.9657 2071.3782 1938.6819 102.2924 -206200.7694 17569.9236 0.0000 0.0000 34049.0811 -149713.4466 297.3591 -183762.5277 -149622.8363 297.9605 -260.8415 -227.1905 556709.1575 2.8711 2.9465 PRESSURE: 1876200 115.029 -52.5417 -13.0709 -52.5412 157.432 -24.1364 -13.0713 -24.1354 82.9659 GPRESSURE: 1876200 147.56 -139.746 73.6714 -135.967 153.418 41.1123 -87.3241 -35.7008 152.475 PRESSAVG: 1876200 26.0752 -34.6883 31.7431 -34.6883 -3.88904 7.58336 31.7432 7.58339 11.1468 GPRESSAVG: 1876200 26.337 -35.7259 31.6135 -34.2851 -3.54037 8.31199 29.5583 7.77114 10.5192 TIMING: 1876200 CPU: 5446.18, 0.00285735/step Wall: 5446.18, 0.00285735/step, 2.47938 hours remaining, 207.121094 MB of memory in use. ENERGY: 1876200 746.4686 2101.4538 1955.6884 103.7767 -206967.9710 18185.5671 0.0000 0.0000 34292.9058 -149582.1106 299.4885 -183875.0165 -149481.7994 298.0391 118.4759 151.1508 556203.0928 11.1110 11.1053 LDB: ============= START OF LOAD BALANCING ============== 5449.64 LDB: ============== END OF LOAD BALANCING =============== 5449.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5449.64 LDB: ============= START OF LOAD BALANCING ============== 5449.93 LDB: Largest compute 4820 load 0.029976 is 25.5% of average load 0.117691 LDB: Average compute 0.001722 is 1.5% of average load 0.117691 LDB: TIME 5449.93 LOAD: AVG 0.117691 MAX 0.176686 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.383 MB LDB: TIME 5449.93 LOAD: AVG 0.117691 MAX 0.176686 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: TIME 5449.93 LOAD: AVG 0.117691 MAX 0.176686 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.402 MB LDB: ============== END OF LOAD BALANCING =============== 5449.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5449.94 PRESSURE: 1876400 -107.969 97.0323 48.9411 97.034 -48.3641 -13.1096 48.9402 -13.1102 -33.1701 GPRESSURE: 1876400 -72.3215 133.655 136.532 115.35 19.3247 -28.6544 74.6748 -7.87518 -36.2932 PRESSAVG: 1876400 -24.0724 22.5458 42.1866 22.5459 20.8033 -33.3627 42.1866 -33.3627 43.1793 GPRESSAVG: 1876400 -24.1508 25.228 44.4392 20.792 20.7409 -36.6418 41.9567 -32.0309 43.9059 TIMING: 1876400 CPU: 5446.76, 0.00292272/step Wall: 5446.76, 0.00292272/step, 2.53595 hours remaining, 205.246094 MB of memory in use. ENERGY: 1876400 730.7464 2075.0319 1959.4989 117.5018 -206358.0787 17840.1526 0.0000 0.0000 34111.3801 -149523.7669 297.9032 -183635.1470 -149423.4359 298.7492 -63.1676 -29.7633 558506.8975 13.3034 13.4987 PRESSURE: 1876600 -157.509 117.854 31.6669 117.854 57.5962 16.109 31.6686 16.1102 -103.076 GPRESSURE: 1876600 -64.3425 72.8928 1.6131 75.4397 88.5681 19.7631 34.1357 -57.6929 -142.503 PRESSAVG: 1876600 -39.0192 49.9237 47.9234 49.9236 54.5671 -21.2711 47.9234 -21.271 -8.731 GPRESSAVG: 1876600 -37.5666 48.7547 44.6591 51.1824 53.9129 -19.6804 48.1811 -22.6679 -9.48381 TIMING: 1876600 CPU: 5447.33, 0.00284821/step Wall: 5447.33, 0.00284821/step, 2.47114 hours remaining, 205.687500 MB of memory in use. ENERGY: 1876600 769.7706 2063.0871 1963.6395 102.2427 -206137.2471 17673.6971 0.0000 0.0000 34054.7629 -149510.0472 297.4087 -183564.8101 -149419.4864 298.7916 -67.6631 -39.4259 558405.6668 2.2723 2.2875 PRESSURE: 1876800 118.577 139.465 84.5868 139.466 158.965 -52.8596 84.5859 -52.8596 60.3731 GPRESSURE: 1876800 144.932 69.5973 52.8674 209.084 236.037 -96.0937 117.94 8.07289 54.7961 PRESSAVG: 1876800 -22.8612 56.6674 32.5193 56.6674 -18.5801 -52.4911 32.5193 -52.491 32.4473 GPRESSAVG: 1876800 -23.769 57.0578 33.9497 56.8252 -17.6379 -53.4977 31.6996 -50.6449 32.8604 TIMING: 1876800 CPU: 5447.91, 0.00285669/step Wall: 5447.91, 0.00285669/step, 2.47834 hours remaining, 205.738281 MB of memory in use. ENERGY: 1876800 738.9710 2058.2143 1962.6933 113.1698 -206747.3323 18198.4572 0.0000 0.0000 34175.4645 -149500.3623 298.4628 -183675.8268 -149402.8873 298.0775 112.6384 145.2551 558381.4923 -2.9980 -2.8488 PRESSURE: 1877000 -23.4874 -72.7621 -71.2771 -72.7612 109.589 -57.2277 -71.2768 -57.2276 -47.617 GPRESSURE: 1877000 -19.152 -125.893 -72.93 -47.9711 158.301 28.6155 -119.865 14.389 -6.27668 PRESSAVG: 1877000 -54.7425 -0.611559 46.8591 -0.611488 43.5109 -43.9891 46.859 -43.9892 -5.04651 GPRESSAVG: 1877000 -54.8632 2.77104 46.1159 -2.4288 45.4446 -40.9168 47.645 -47.5052 -6.82351 TIMING: 1877000 CPU: 5448.48, 0.00286863/step Wall: 5448.48, 0.00286863/step, 2.48854 hours remaining, 205.738281 MB of memory in use. ENERGY: 1877000 705.9651 2162.5886 1954.1478 110.5477 -206799.8729 18046.1368 0.0000 0.0000 34325.6454 -149494.8413 299.7744 -183820.4867 -149400.3948 299.4556 12.8283 44.2909 558431.6128 -5.4260 -5.4140 PRESSURE: 1877200 36.8745 -141.349 104.976 -141.348 33.335 -69.2962 104.975 -69.295 -147.886 GPRESSURE: 1877200 36.0696 -79.8343 62.8681 -147.528 39.514 -99.4329 149.392 -55.8828 -52.2989 PRESSAVG: 1877200 19.7415 -21.0698 34.0732 -21.0698 41.2429 43.5123 34.0733 43.5123 -66.3312 GPRESSAVG: 1877200 21.1382 -24.2174 33.6686 -18.5107 38.6074 39.8321 34.3495 46.1798 -65.4607 TIMING: 1877200 CPU: 5449.05, 0.00287066/step Wall: 5449.05, 0.00287066/step, 2.49014 hours remaining, 205.738281 MB of memory in use. ENERGY: 1877200 725.0604 2072.3507 1936.0134 115.9043 -206539.8985 17934.6355 0.0000 0.0000 34119.2328 -149636.7013 297.9717 -183755.9341 -149536.8864 298.6872 -25.8922 7.7616 557690.6671 -1.7823 -1.9050 PRESSURE: 1877400 44.0072 64.4318 -150.928 64.4327 -37.0834 29.2704 -150.928 29.2696 -240.746 GPRESSURE: 1877400 77.9545 -8.16265 -170.97 55.974 -19.2564 47.1821 -132.394 10.6536 -189.71 PRESSAVG: 1877400 49.4305 -27.4206 22.5834 -27.4207 -28.0006 -43.9711 22.5835 -43.9711 -22.7515 GPRESSAVG: 1877400 48.6338 -27.6853 21.5881 -28.7896 -28.6959 -42.8652 22.0581 -46.1376 -21.2214 TIMING: 1877400 CPU: 5449.63, 0.00287935/step Wall: 5449.63, 0.00287935/step, 2.49752 hours remaining, 205.738281 MB of memory in use. ENERGY: 1877400 731.0823 2093.6291 1970.3360 111.1674 -205901.1283 17628.5699 0.0000 0.0000 34109.1982 -149257.1455 297.8841 -183366.3437 -149155.5405 298.1277 -77.9407 -43.6707 558639.7207 -0.4405 -0.4278 PRESSURE: 1877600 -119.834 78.9918 -12.6132 78.9919 -199.344 41.1308 -12.6125 41.1315 -217.516 GPRESSURE: 1877600 -124.258 78.4057 14.4354 105.108 -161.301 -1.93908 -18.579 -6.81566 -149.214 PRESSAVG: 1877600 -10.7205 28.9937 -3.2209 28.9938 37.192 -24.374 -3.22095 -24.374 -34.4421 GPRESSAVG: 1877600 -10.145 29.458 -2.93301 28.3786 37.3004 -25.6756 -2.59283 -20.1429 -35.0661 TIMING: 1877600 CPU: 5450.21, 0.00289462/step Wall: 5450.21, 0.00289462/step, 2.5106 hours remaining, 205.796875 MB of memory in use. ENERGY: 1877600 775.6241 2054.2158 1937.2033 117.5230 -205981.2690 17648.8301 0.0000 0.0000 34266.6819 -149181.1907 299.2595 -183447.8727 -149084.9582 298.9112 -178.8980 -144.9245 559055.5758 -2.6568 -2.6369 PRESSURE: 1877800 -438.826 -42.2936 102.722 -42.2934 176.24 -125.961 102.721 -125.962 101.367 GPRESSURE: 1877800 -362.528 -88.1377 120.889 -13.9678 147.473 -150.126 27.9742 -133.583 155.964 PRESSAVG: 1877800 -23.9561 0.893119 3.63058 0.892991 -3.6846 16.398 3.63053 16.398 35.2304 GPRESSAVG: 1877800 -24.2872 0.661532 3.6538 0.798209 -2.75081 16.7759 4.17869 13.8869 34.5447 TIMING: 1877800 CPU: 5450.79, 0.00288984/step Wall: 5450.79, 0.00288984/step, 2.50629 hours remaining, 205.796875 MB of memory in use. ENERGY: 1877800 730.2020 2066.1094 1962.5729 115.5075 -206174.5634 17712.2797 0.0000 0.0000 34231.2628 -149356.6291 298.9501 -183587.8919 -149260.1955 299.1128 -53.7394 -19.6970 556100.6968 2.5299 2.5022 PRESSURE: 1878000 116.814 -12.5044 -111.362 -12.5028 -271.706 112.428 -111.362 112.428 149.03 GPRESSURE: 1878000 183.839 52.289 -127.297 -102.393 -239.539 77.2741 -83.8024 72.6859 159.663 PRESSAVG: 1878000 -85.7402 -4.80719 31.8188 -4.80724 18.8993 47.6322 31.8188 47.6322 66.7027 GPRESSAVG: 1878000 -85.5543 -5.14067 32.6358 -3.28717 18.8878 48.0004 30.7487 47.7711 66.3024 TIMING: 1878000 CPU: 5451.36, 0.00289013/step Wall: 5451.36, 0.00289013/step, 2.50639 hours remaining, 205.796875 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: 1878000 748.2967 2108.4655 1943.3961 108.1149 -206334.9698 17835.0230 0.0000 0.0000 34313.3139 -149278.3595 299.6667 -183591.6734 -149189.6387 299.0341 -1.9542 34.6546 556947.5110 -0.0461 -0.1214 PRESSURE: 1878200 -106.106 -188.551 -1.19799 -188.549 0.289144 -33.7685 -1.19909 -33.7686 83.6658 GPRESSURE: 1878200 -88.997 -111.19 -5.02574 -192.624 -14.315 -42.2178 -22.3398 -16.5074 176.259 PRESSAVG: 1878200 -0.417687 -62.9027 2.30372 -62.9026 -40.9334 -33.1288 2.30369 -33.1287 71.6409 GPRESSAVG: 1878200 -1.55991 -61.3067 3.28157 -65.1357 -42.4559 -35.2797 3.56967 -32.5332 74.1102 TIMING: 1878200 CPU: 5451.94, 0.00289596/step Wall: 5451.94, 0.00289596/step, 2.51128 hours remaining, 205.796875 MB of memory in use. ENERGY: 1878200 715.5315 2063.4031 1967.5894 127.9396 -205977.3784 17695.8603 0.0000 0.0000 34051.6804 -149355.3741 297.3818 -183407.0545 -149269.2387 298.7142 -7.3836 24.3157 557736.3967 10.0966 10.0315 PRESSURE: 1878400 -47.7053 -171.062 122.874 -171.063 -455.974 64.933 122.874 64.9311 -29.4398 GPRESSURE: 1878400 -5.15208 -98.2886 135.859 -142.599 -396.496 -10.6426 98.6735 123.986 -35.3729 PRESSAVG: 1878400 -20.9894 -5.03983 8.099 -5.03984 -32.5177 -15.2202 8.09901 -15.2202 20.4257 GPRESSAVG: 1878400 -20.3488 -4.82682 6.14839 -1.92069 -32.028 -11.7216 6.71277 -16.8922 19.1251 TIMING: 1878400 CPU: 5452.52, 0.00290718/step Wall: 5452.52, 0.00290718/step, 2.52085 hours remaining, 205.796875 MB of memory in use. ENERGY: 1878400 757.6195 2102.3951 1966.3740 118.6976 -206449.0319 17902.3515 0.0000 0.0000 34150.2902 -149451.3040 298.2430 -183601.5941 -149355.7191 298.7972 -177.7063 -145.6737 558022.4125 -11.0271 -11.0839 PRESSURE: 1878600 61.9751 -20.4198 -26.3066 -20.4201 -105.119 72.8963 -26.3078 72.8961 -110.476 GPRESSURE: 1878600 90.0463 -42.8915 -54.5089 -14.7024 -39.3692 55.0446 57.8679 88.8231 -93.7007 PRESSAVG: 1878600 -37.3147 7.12351 -12.9986 7.12343 67.7527 -3.12144 -12.9986 -3.12142 -50.6467 GPRESSAVG: 1878600 -37.5991 4.3358 -12.9349 8.5836 68.4431 -4.48408 -11.663 -0.866637 -50.9908 TIMING: 1878600 CPU: 5453.1, 0.00288243/step Wall: 5453.1, 0.00288243/step, 2.49922 hours remaining, 205.796875 MB of memory in use. ENERGY: 1878600 714.9678 2046.2607 1983.6372 119.5652 -206255.4627 17758.7630 0.0000 0.0000 34198.9658 -149433.3029 298.6681 -183632.2687 -149337.6443 298.9365 -51.2066 -14.3412 558167.0888 -6.7363 -6.7156 PRESSURE: 1878800 184.56 -11.8853 -166.737 -11.8859 204.426 -33.0123 -166.737 -33.0112 7.0368 GPRESSURE: 1878800 228.458 -25.915 -223.983 -8.77548 216.668 14.2998 -206.846 -77.4062 50.6821 PRESSAVG: 1878800 17.5133 34.2982 -19.6677 34.2982 10.1276 -13.461 -19.6676 -13.461 15.1485 GPRESSAVG: 1878800 16.4537 37.5879 -18.665 32.8287 10.0643 -12.8013 -20.0833 -13.6719 16.3776 TIMING: 1878800 CPU: 5453.68, 0.00288922/step Wall: 5453.68, 0.00288922/step, 2.50495 hours remaining, 205.796875 MB of memory in use. ENERGY: 1878800 749.4370 2118.7014 1968.7128 114.4886 -206555.5096 18133.9756 0.0000 0.0000 34131.0971 -149339.0971 298.0754 -183470.1942 -149238.8748 298.4045 132.0076 165.2695 556362.2957 14.2631 14.2985 PRESSURE: 1879000 -164.969 -105.052 -51.1298 -105.051 -161.811 13.5635 -51.1299 13.5639 32.0563 GPRESSURE: 1879000 -131.465 -23.6186 -17.3424 -77.2169 -104.576 11.9183 -121.64 7.3443 50.8339 PRESSAVG: 1879000 4.44363 8.68291 -15.6778 8.68302 -10.3744 -0.84756 -15.6778 -0.847452 0.00406965 GPRESSAVG: 1879000 6.64677 7.56965 -15.7814 10.4844 -11.3071 -3.03802 -13.6119 0.405906 -1.01159 TIMING: 1879000 CPU: 5454.26, 0.00288945/step Wall: 5454.26, 0.00288945/step, 2.505 hours remaining, 205.796875 MB of memory in use. ENERGY: 1879000 760.0427 2096.0315 1957.6037 126.8206 -206492.4689 17815.2028 0.0000 0.0000 34328.2394 -149408.5282 299.7971 -183736.7676 -149312.4656 298.8031 -98.2412 -61.7357 557628.9798 -1.9756 -1.8906 PRESSURE: 1879200 -107.698 -57.3841 -102.34 -57.3828 -108.365 8.41113 -102.341 8.41252 -158.452 GPRESSURE: 1879200 -146.288 -49.077 -122.188 15.8601 -30.0754 -20.448 -101.823 -85.3897 -106.032 PRESSAVG: 1879200 -0.816243 25.2713 -9.39186 25.2712 1.50111 64.1518 -9.39199 64.1517 -57.5367 GPRESSAVG: 1879200 -1.22474 25.077 -8.36243 23.2446 2.34766 67.446 -11.6501 61.4412 -57.7694 TIMING: 1879200 CPU: 5454.83, 0.00287944/step Wall: 5454.83, 0.00287944/step, 2.49615 hours remaining, 205.796875 MB of memory in use. ENERGY: 1879200 753.6346 2080.6244 1979.5929 110.0063 -206370.2039 17804.4955 0.0000 0.0000 34218.9843 -149422.8658 298.8429 -183641.8502 -149324.0798 298.6563 -124.8387 -94.1318 559151.4247 -18.9506 -18.8822 PRESSURE: 1879400 94.5928 -51.741 -74.9651 -51.7406 32.311 35.6332 -74.9647 35.6349 -47.0449 GPRESSURE: 1879400 121.724 -100.806 -10.2918 -59.3634 81.2081 92.055 -78.5011 55.8489 -25.9487 PRESSAVG: 1879400 19.9989 23.2931 7.0641 23.2932 21.4171 -1.13337 7.06413 -1.13329 -31.6278 GPRESSAVG: 1879400 17.9619 23.7451 5.42122 24.1189 21.1821 -2.20895 7.40915 -0.146598 -29.1129 TIMING: 1879400 CPU: 5455.41, 0.00289297/step Wall: 5455.41, 0.00289297/step, 2.50772 hours remaining, 205.796875 MB of memory in use. ENERGY: 1879400 780.7750 2045.6264 1968.4161 110.4864 -206319.3382 17861.2230 0.0000 0.0000 34170.1077 -149382.7037 298.4160 -183552.8114 -149280.7187 298.7771 26.6196 58.9946 557874.0897 3.2627 3.3437 PRESSURE: 1879600 -362.481 -58.2598 179.537 -58.2587 -24.238 -51.344 179.537 -51.3453 -233.524 GPRESSURE: 1879600 -266.264 -59.5794 178.459 -5.689 -46.7198 -119.704 153.044 36.6178 -215.609 PRESSAVG: 1879600 10.4746 15.6363 36.8393 15.6363 1.38841 -36.5898 36.8393 -36.5898 -12.5763 GPRESSAVG: 1879600 12.269 15.1649 38.7315 15.5276 1.41559 -39.3138 36.0927 -35.1324 -14.1519 TIMING: 1879600 CPU: 5455.99, 0.00287836/step Wall: 5455.99, 0.00287836/step, 2.4949 hours remaining, 205.796875 MB of memory in use. ENERGY: 1879600 743.3118 2101.3437 1947.8595 119.6826 -206325.9074 17681.7362 0.0000 0.0000 34187.8245 -149544.1492 298.5708 -183731.9737 -149453.4244 298.9257 -206.7474 -176.1975 558729.7367 -0.2378 -0.1558 PRESSURE: 1879800 -386.35 -32.1155 -128.325 -32.1166 -218.608 -193.205 -128.325 -193.206 -69.6593 GPRESSURE: 1879800 -308.914 -29.7272 -102.674 8.40487 -212.422 -201.697 -172.472 -257.781 -58.1327 PRESSAVG: 1879800 -33.015 -7.74805 41.4955 -7.74797 71.9017 11.5512 41.4954 11.5513 -20.3031 GPRESSAVG: 1879800 -33.8697 -8.80965 40.4919 -5.20312 73.4257 14.6633 42.918 10.9109 -20.506 TIMING: 1879800 CPU: 5456.56, 0.0028761/step Wall: 5456.56, 0.0028761/step, 2.49278 hours remaining, 205.796875 MB of memory in use. ENERGY: 1879800 739.3791 2127.7894 1954.9072 112.0551 -206318.0585 17523.1707 0.0000 0.0000 34143.3020 -149717.4551 298.1819 -183860.7570 -149622.5548 298.9770 -224.8726 -193.1560 558296.8379 6.1945 6.3500 PRESSURE: 1880000 -123.383 25.1486 -170.436 25.1491 213.051 -55.1404 -170.436 -55.1399 -167.992 GPRESSURE: 1880000 -97.8812 -18.5231 -213.724 24.0736 258.582 -70.9701 -88.8984 -97.1945 -135.068 PRESSAVG: 1880000 -28.2696 31.9638 -1.18314 31.9638 55.0473 -57.1903 -1.1831 -57.1903 -29.0929 GPRESSAVG: 1880000 -29.2663 33.1022 -1.01114 28.6827 55.7203 -57.1294 -2.47226 -57.8437 -28.9634 TIMING: 1880000 CPU: 5457.14, 0.002888/step Wall: 5457.14, 0.002888/step, 2.50294 hours remaining, 205.796875 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: 1880000 755.1819 2103.8440 1972.7976 106.5274 -206664.0608 17856.9047 0.0000 0.0000 34161.4654 -149707.3397 298.3406 -183868.8050 -149609.4583 298.0806 -26.1078 8.5444 557920.9975 -0.7718 -0.8364 PRESSURE: 1880200 -68.0991 93.7222 -48.7459 93.7223 215.055 -149.519 -48.7467 -149.519 -6.74877 GPRESSURE: 1880200 -61.0327 38.061 -198.224 152.881 290.402 -107.296 20.6627 -136.843 10.1366 PRESSAVG: 1880200 -21.7379 23.3952 -39.7651 23.3952 52.3591 25.7536 -39.765 25.7536 3.05964 GPRESSAVG: 1880200 -21.392 22.507 -40.1857 23.0148 50.7902 23.1123 -38.3111 27.57 4.57966 TIMING: 1880200 CPU: 5457.72, 0.00288259/step Wall: 5457.72, 0.00288259/step, 2.49808 hours remaining, 205.796875 MB of memory in use. ENERGY: 1880200 749.0199 2130.2293 1988.2913 112.3312 -206862.6695 18129.3727 0.0000 0.0000 34094.8226 -149658.6025 297.7586 -183753.4251 -149560.9194 297.8514 46.7357 79.8353 555456.0667 11.2270 11.3260 LDB: ============= START OF LOAD BALANCING ============== 5461.18 LDB: ============== END OF LOAD BALANCING =============== 5461.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5461.18 LDB: ============= START OF LOAD BALANCING ============== 5461.47 LDB: Largest compute 4820 load 0.028519 is 24.2% of average load 0.117774 LDB: Average compute 0.001721 is 1.5% of average load 0.117774 LDB: TIME 5461.47 LOAD: AVG 0.117774 MAX 0.177276 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.836 MB LDB: TIME 5461.47 LOAD: AVG 0.117774 MAX 0.177276 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.836 MB LDB: TIME 5461.47 LOAD: AVG 0.117774 MAX 0.177276 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.836 MB LDB: ============== END OF LOAD BALANCING =============== 5461.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5461.48 PRESSURE: 1880400 -58.382 -75.4948 -191.502 -75.4946 -201.445 161.019 -191.503 161.019 -223.695 GPRESSURE: 1880400 -8.54924 -15.176 -134.172 -110.122 -120.58 184.447 -178.903 129.296 -270.044 PRESSAVG: 1880400 -11.9229 3.51628 -34.4233 3.51635 54.9303 21.1577 -34.4234 21.1578 -25.2244 GPRESSAVG: 1880400 -11.1207 3.6326 -33.1276 4.19682 55.8672 20.6036 -36.1418 21.1907 -27.4184 TIMING: 1880400 CPU: 5458.3, 0.00291961/step Wall: 5458.3, 0.00291961/step, 2.53001 hours remaining, 206.128906 MB of memory in use. ENERGY: 1880400 732.6878 2068.2957 1960.4652 95.9422 -206214.5028 17583.8535 0.0000 0.0000 34238.5217 -149534.7368 299.0135 -183773.2584 -149436.9396 297.7279 -161.1738 -133.0576 557045.7557 5.9277 5.7760 PRESSURE: 1880600 99.1563 -83.6529 -60.2848 -83.6519 196.034 -39.3151 -60.2838 -39.315 -217.997 GPRESSURE: 1880600 150.768 -49.8165 -9.46787 -32.7112 132.814 73.3405 -50.9028 -10.557 -121.83 PRESSAVG: 1880600 47.4927 36.7222 -22.7017 36.7221 -20.0428 10.4584 -22.7017 10.4584 -41.3818 GPRESSAVG: 1880600 47.3583 37.6183 -23.4674 34.6395 -21.2347 13.0483 -22.4325 10.2115 -40.8458 TIMING: 1880600 CPU: 5458.88, 0.00288454/step Wall: 5458.88, 0.00288454/step, 2.49946 hours remaining, 206.585938 MB of memory in use. ENERGY: 1880600 757.2595 2032.0603 1933.9134 105.7681 -206449.4171 17936.2541 0.0000 0.0000 34119.0989 -149565.0628 297.9706 -183684.1617 -149472.6924 298.5932 25.7311 53.9173 557845.6164 -4.6439 -4.9074 PRESSURE: 1880800 24.1323 -90.9258 -73.3781 -90.9255 -290.431 -105.181 -73.3778 -105.179 -156.152 GPRESSURE: 1880800 -32.6544 -154.968 -49.5009 -89.4217 -254.561 -153.446 -53.8735 -143.953 -39.4147 PRESSAVG: 1880800 16.4073 -47.2193 -12.0219 -47.2193 31.6562 24.8087 -12.0219 24.8086 -75.1824 GPRESSAVG: 1880800 15.6582 -48.2325 -11.9096 -46.1202 31.9805 24.3903 -13.3672 23.8986 -75.3917 TIMING: 1880800 CPU: 5459.46, 0.00289026/step Wall: 5459.46, 0.00289026/step, 2.50425 hours remaining, 206.847656 MB of memory in use. ENERGY: 1880800 764.2821 2112.7973 1978.0045 115.9301 -206259.0560 17735.7405 0.0000 0.0000 33986.7207 -149565.5809 296.8145 -183552.3016 -149466.5326 298.4181 -140.8168 -108.8767 557505.2729 -9.0397 -9.2510 PRESSURE: 1881000 -267.616 20.2593 27.3763 20.2592 -596.244 101.591 27.3762 101.592 40.5996 GPRESSURE: 1881000 -248.63 20.8018 32.0394 78.3998 -524.115 132.046 37.5832 103.964 57.4463 PRESSAVG: 1881000 23.1009 -31.2513 -45.4256 -31.2514 -48.002 -32.9469 -45.4255 -32.9468 52.7465 GPRESSAVG: 1881000 22.7291 -32.0876 -44.9094 -31.142 -48.2092 -33.6848 -43.8084 -33.2557 52.605 TIMING: 1881000 CPU: 5460.03, 0.00289711/step Wall: 5460.03, 0.00289711/step, 2.51002 hours remaining, 206.847656 MB of memory in use. ENERGY: 1881000 740.8538 2080.2637 1985.4310 121.0766 -205980.8599 17308.7713 0.0000 0.0000 34155.8870 -149588.5764 298.2919 -183744.4635 -149488.0343 298.7410 -274.4201 -238.4330 557094.7091 9.2818 9.0416 PRESSURE: 1881200 88.5116 -13.7673 119.84 -13.7677 108.69 -87.6915 119.84 -87.6901 8.23216 GPRESSURE: 1881200 95.6495 -7.66957 93.4875 -61.0574 154.902 -24.673 142.535 -131.792 66.1578 PRESSAVG: 1881200 9.12811 -34.5428 3.92406 -34.5427 -72.7503 20.6527 3.92402 20.6527 64.1105 GPRESSAVG: 1881200 8.64935 -33.5591 1.24936 -35.8818 -72.4742 21.7845 5.34119 21.2396 64.5884 TIMING: 1881200 CPU: 5460.61, 0.00289998/step Wall: 5460.61, 0.00289998/step, 2.51235 hours remaining, 206.847656 MB of memory in use. ENERGY: 1881200 726.3902 2084.6936 1960.2589 129.7899 -206445.2493 17947.9570 0.0000 0.0000 34115.0223 -149481.1374 297.9350 -183596.1597 -149389.8483 298.1907 68.4779 105.5697 555723.5650 0.1628 0.2545 PRESSURE: 1881400 -101.915 18.9881 171.878 18.9887 -5.4055 -36.0738 171.878 -36.0755 188.766 GPRESSURE: 1881400 -35.1552 -1.11306 169.55 76.1108 0.934579 -49.3831 119.692 -82.192 219.712 PRESSAVG: 1881400 14.5544 55.6451 19.5386 55.645 13.2666 17.4203 19.5387 17.4202 9.09436 GPRESSAVG: 1881400 15.0034 54.4003 23.6068 57.1739 13.8957 16.6148 16.1862 17.4824 7.99356 TIMING: 1881400 CPU: 5461.19, 0.00289877/step Wall: 5461.19, 0.00289877/step, 2.51114 hours remaining, 206.847656 MB of memory in use. ENERGY: 1881400 721.4658 2088.8354 1985.3116 117.8897 -206137.1371 17615.8064 0.0000 0.0000 34130.0443 -149477.7839 298.0662 -183607.8282 -149380.5718 298.5489 27.1485 61.8306 555682.9722 12.3051 12.2976 PRESSURE: 1881600 -60.4154 116.438 -2.87845 116.44 -80.6841 -49.9025 -2.87892 -49.9023 93.646 GPRESSURE: 1881600 -12.3946 63.9018 -19.408 193.377 -69.4318 -10.2239 33.1574 -94.0497 128.485 PRESSAVG: 1881600 -26.3448 36.1228 32.9862 36.1227 5.14864 20.8709 32.9862 20.871 21.3736 GPRESSAVG: 1881600 -26.0597 35.9359 31.4305 36.3258 3.80857 20.2865 35.3836 19.3453 21.7689 TIMING: 1881600 CPU: 5461.77, 0.00288267/step Wall: 5461.77, 0.00288267/step, 2.49703 hours remaining, 206.847656 MB of memory in use. ENERGY: 1881600 712.2217 2102.1694 1943.4993 115.2819 -206158.0167 17709.4941 0.0000 0.0000 34122.4094 -149452.9410 297.9995 -183575.3504 -149356.0811 298.3461 -15.8178 15.5528 557272.6386 0.0592 -0.1607 PRESSURE: 1881800 279.545 -99.9732 153.164 -99.9718 -20.9408 124.549 153.164 124.548 160.425 GPRESSURE: 1881800 377.501 -50.5505 178.528 -111.602 -34.2236 51.3571 168.463 105.756 161.698 PRESSAVG: 1881800 -31.2342 80.1197 38.7677 80.1197 -0.203261 -40.7445 38.7677 -40.7444 41.4197 GPRESSAVG: 1881800 -31.326 80.8293 37.6692 80.2162 0.263208 -40.3186 39.4972 -39.3356 40.8884 TIMING: 1881800 CPU: 5462.35, 0.00290357/step Wall: 5462.35, 0.00290357/step, 2.51497 hours remaining, 206.847656 MB of memory in use. ENERGY: 1881800 708.2757 2068.8099 1947.5192 108.2322 -206073.4873 17766.0080 0.0000 0.0000 34152.0781 -149322.5642 298.2586 -183474.6423 -149227.7974 298.3906 139.6766 168.3251 556575.5956 3.3274 3.2752 PRESSURE: 1882000 70.4458 66.824 -11.8771 66.8243 6.8599 64.8144 -11.8763 64.8159 170.481 GPRESSURE: 1882000 91.7806 58.9073 9.75848 91.4196 46.1188 -9.00144 -18.1423 109.929 196.415 PRESSAVG: 1882000 24.0996 20.2692 74.5871 20.2692 -41.9591 31.7042 74.5871 31.7043 34.1628 GPRESSAVG: 1882000 22.9958 19.4936 74.6645 20.8065 -41.255 31.9199 73.5212 31.4502 34.7051 TIMING: 1882000 CPU: 5462.93, 0.00288438/step Wall: 5462.93, 0.00288438/step, 2.49819 hours remaining, 206.847656 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: 1882000 761.0655 2041.1323 1959.9824 92.6081 -206188.6081 17857.7508 0.0000 0.0000 34273.7903 -149202.2787 299.3215 -183476.0690 -149104.9489 299.0562 82.5956 111.4380 557072.4058 5.4344 5.4820 PRESSURE: 1882200 -289.495 -10.1357 -222.236 -10.1358 -173.378 -77.2869 -222.236 -77.2868 66.4468 GPRESSURE: 1882200 -231.43 -21.8477 -270.045 -54.0998 -183.323 -43.0215 -180.062 -113.578 122.985 PRESSAVG: 1882200 2.73551 9.28069 40.9142 9.28076 -21.1374 35.098 40.9143 35.0979 28.012 GPRESSAVG: 1882200 4.05844 10.2494 42.11 9.01766 -24.1999 33.2372 39.7008 34.5799 29.4968 TIMING: 1882200 CPU: 5463.51, 0.00288482/step Wall: 5463.51, 0.00288482/step, 2.49841 hours remaining, 206.847656 MB of memory in use. ENERGY: 1882200 722.5465 2090.3289 1982.3261 128.9884 -205724.5258 17437.1252 0.0000 0.0000 34232.7582 -149130.4525 298.9632 -183363.2107 -149043.7077 298.9196 -132.1421 -97.2562 557275.5324 3.2034 3.1184 PRESSURE: 1882400 -203.084 43.6323 -109.623 43.6301 -220.338 -36.6514 -109.622 -36.6509 -20.7775 GPRESSURE: 1882400 -205.476 176.528 -44.78 -28.9198 -97.6426 -80.8217 -116.181 -100.505 -41.7204 PRESSAVG: 1882400 -23.319 10.4161 -15.9668 10.4161 -76.9149 -36.5562 -15.9669 -36.5563 105.116 GPRESSAVG: 1882400 -23.5539 10.5243 -17.0457 9.31374 -74.9932 -35.9527 -15.4267 -35.8047 102.848 TIMING: 1882400 CPU: 5464.08, 0.00287201/step Wall: 5464.08, 0.00287201/step, 2.48716 hours remaining, 206.847656 MB of memory in use. ENERGY: 1882400 757.3812 2043.2074 1963.4855 108.9033 -206089.3674 17854.8900 0.0000 0.0000 34301.4676 -149060.0324 299.5632 -183361.5000 -148964.0255 299.9750 -148.0667 -114.9462 558788.2000 1.6275 1.4336 PRESSURE: 1882600 39.7501 79.033 -59.6135 79.0314 128.951 -103.956 -59.6132 -103.955 -109.409 GPRESSURE: 1882600 63.74 92.8183 -26.678 116.535 182.557 -91.2147 -55.1486 -31.4048 -89.6541 PRESSAVG: 1882600 -24.9538 55.3644 31.3482 55.3643 -13.816 13.0228 31.3482 13.0227 6.1146 GPRESSAVG: 1882600 -25.4728 55.0869 30.6854 56.2416 -13.8009 13.2184 31.6493 11.1677 6.51065 TIMING: 1882600 CPU: 5464.66, 0.0028847/step Wall: 5464.66, 0.0028847/step, 2.49799 hours remaining, 206.847656 MB of memory in use. ENERGY: 1882600 725.5699 2065.0565 1983.7150 109.6066 -206129.3776 17849.3057 0.0000 0.0000 34211.4593 -149184.6647 298.7772 -183396.1240 -149091.1494 298.5319 19.7640 52.2143 558826.2746 -10.8851 -10.9210 PRESSURE: 1882800 -143.444 56.5886 -26.1317 56.5871 -28.621 238.833 -26.1322 238.834 -151.99 GPRESSURE: 1882800 -71.5132 91.2039 -28.9106 -68.2169 -36.46 257.508 -11.7287 256.078 -109.984 PRESSAVG: 1882800 -20.6244 52.3319 12.8119 52.3319 68.0105 24.4521 12.812 24.4521 -33.6737 GPRESSAVG: 1882800 -21.4424 51.7119 13.9479 51.9632 68.7805 23.9559 13.3633 25.9252 -32.9907 TIMING: 1882800 CPU: 5465.24, 0.00290458/step Wall: 5465.24, 0.00290458/step, 2.51505 hours remaining, 206.847656 MB of memory in use. ENERGY: 1882800 747.7168 2074.4200 1954.7951 118.7179 -205964.9164 17852.1744 0.0000 0.0000 34217.9444 -148999.1478 298.8338 -183217.0922 -148906.0338 299.5120 -108.0183 -72.6523 559701.6376 4.5708 4.7825 PRESSURE: 1883000 -164.303 -169.74 -57.2914 -169.739 -232.72 53.7162 -57.2909 53.7146 72.7627 GPRESSURE: 1883000 -170.09 -123.411 -96.5532 -189.362 -176.818 57.5555 -62.3501 99.8786 118.922 PRESSAVG: 1883000 -26.4761 -24.6984 -5.56454 -24.6983 43.0277 14.4658 -5.5646 14.4658 -46.1566 GPRESSAVG: 1883000 -26.5161 -23.4208 -4.25889 -25.5992 42.2762 14.3454 -7.09675 15.3237 -45.2233 TIMING: 1883000 CPU: 5465.82, 0.00291292/step Wall: 5465.82, 0.00291292/step, 2.52211 hours remaining, 206.847656 MB of memory in use. ENERGY: 1883000 755.6372 2097.7489 1980.8934 121.9661 -206249.9287 17836.2475 0.0000 0.0000 34473.7609 -148983.6747 301.0679 -183457.4356 -148889.0951 300.2428 -108.0866 -75.9952 558911.7131 -9.8683 -9.8211 PRESSURE: 1883200 -70.4117 -112.034 78.8586 -112.033 124.578 -164.736 78.8601 -164.737 -57.7658 GPRESSURE: 1883200 -20.1811 -127.166 223.383 -59.1144 170.108 -118.1 14.7639 -105.686 -58.9164 PRESSAVG: 1883200 -14.5448 18.2188 -39.2679 18.2188 -22.8869 -5.47872 -39.2678 -5.47878 18.5661 GPRESSAVG: 1883200 -13.39 15.7012 -40.4785 20.1751 -22.582 -6.99854 -38.142 -5.68387 17.9764 TIMING: 1883200 CPU: 5466.41, 0.00293556/step Wall: 5466.41, 0.00293556/step, 2.54154 hours remaining, 206.847656 MB of memory in use. ENERGY: 1883200 715.4172 2116.4581 1968.5101 108.0015 -206031.7057 17939.9848 0.0000 0.0000 34222.0879 -148961.2461 298.8700 -183183.3340 -148864.1496 299.3919 -1.1998 30.3369 558361.0739 -6.2886 -5.9986 PRESSURE: 1883400 -131.861 -49.4688 14.9992 -49.4688 -360.381 50.8799 14.9994 50.8806 -254.523 GPRESSURE: 1883400 -76.0632 -86.2445 57.4727 -109.931 -327.56 60.143 -4.42045 73.7115 -255.114 PRESSAVG: 1883400 35.9185 -44.7089 -19.6279 -44.709 -41.0253 70.4725 -19.6279 70.4725 3.04501 GPRESSAVG: 1883400 36.9412 -43.1982 -19.2055 -44.0203 -41.1047 71.152 -20.5968 70.9252 2.13381 TIMING: 1883400 CPU: 5466.99, 0.00288914/step Wall: 5466.99, 0.00288914/step, 2.50119 hours remaining, 206.847656 MB of memory in use. ENERGY: 1883400 799.6287 2068.4607 1993.1891 128.1575 -205562.6684 17466.4592 0.0000 0.0000 34287.2934 -148819.4798 299.4395 -183106.7732 -148725.9672 299.5102 -248.9218 -219.5788 559101.9592 -0.6873 -0.6766 PRESSURE: 1883600 -207.894 19.9261 182.549 19.9251 76.5349 -10.829 182.55 -10.8295 -183.731 GPRESSURE: 1883600 -224.848 -3.88307 208.986 43.3079 66.8374 0.280409 106.197 4.19833 -73.7868 PRESSAVG: 1883600 37.4149 26.6463 72.0289 26.6462 -15.4848 56.9337 72.029 56.9337 -58.968 GPRESSAVG: 1883600 36.9152 27.5612 71.1983 24.4942 -14.7827 59.6735 73.7201 54.6995 -58.966 TIMING: 1883600 CPU: 5467.56, 0.00288762/step Wall: 5467.56, 0.00288762/step, 2.49972 hours remaining, 206.847656 MB of memory in use. ENERGY: 1883600 760.0387 2064.9581 1950.0231 110.3612 -205882.4338 17688.6295 0.0000 0.0000 34500.4563 -148807.9668 301.3011 -183308.4230 -148713.7335 300.3792 -105.0299 -77.2658 557944.4325 -12.3460 -12.2778 PRESSURE: 1883800 -295.918 111.777 -15.7287 111.778 -35.7156 -48.1491 -15.7288 -48.1488 -227.995 GPRESSURE: 1883800 -230.768 117.112 -12.8715 -36.0444 -70.0671 -56.3578 29.4426 -81.3616 -152.358 PRESSAVG: 1883800 -45.5071 -24.0892 -7.34434 -24.0891 22.2618 37.9484 -7.3443 37.9484 3.59079 GPRESSAVG: 1883800 -45.5405 -25.143 -7.22291 -24.5476 22.0876 34.7498 -9.03081 39.036 4.01434 TIMING: 1883800 CPU: 5468.14, 0.00288514/step Wall: 5468.14, 0.00288514/step, 2.49741 hours remaining, 206.847656 MB of memory in use. ENERGY: 1883800 738.2004 2097.2229 1948.8337 118.7019 -205444.5583 17306.1281 0.0000 0.0000 34437.9693 -148797.5021 300.7554 -183235.4714 -148694.3314 300.3615 -186.5431 -151.0643 558015.6169 -6.5515 -6.4795 PRESSURE: 1884000 -2.55122 -210.303 40.2247 -210.304 -50.2452 -49.2544 40.2248 -49.2542 -56.0922 GPRESSURE: 1884000 26.2688 -223.708 28.8097 -140.012 -34.9359 -81.8769 28.4254 -3.88628 -0.291287 PRESSAVG: 1884000 31.713 -26.8705 55.9155 -26.8705 -57.8533 7.10228 55.9156 7.10222 30.4 GPRESSAVG: 1884000 31.2379 -26.1962 57.4158 -24.7413 -58.5395 7.11616 56.2042 8.29549 30.9918 TIMING: 1884000 CPU: 5468.72, 0.00290299/step Wall: 5468.72, 0.00290299/step, 2.5127 hours remaining, 206.847656 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: 1884000 720.8718 2103.8233 1955.2924 118.6890 -205811.0908 17711.9415 0.0000 0.0000 34444.1207 -148756.3520 300.8091 -183200.4728 -148653.4875 300.7502 -36.2962 -2.9861 558178.1204 1.4199 1.2301 PRESSURE: 1884200 -7.8412 -69.2273 18.1565 -69.2284 229.221 103.411 18.1548 103.412 -81.5072 GPRESSURE: 1884200 -5.64401 39.5671 65.5308 -61.1294 239.515 86.3796 -20.6193 63.7203 -4.15294 PRESSAVG: 1884200 -1.40854 -38.6809 37.1387 -38.6808 29.5478 -6.83309 37.1388 -6.83299 20.5968 GPRESSAVG: 1884200 -1.39449 -38.5686 35.418 -38.774 30.1773 -6.49241 37.0571 -5.83372 20.0981 TIMING: 1884200 CPU: 5469.3, 0.00288606/step Wall: 5469.3, 0.00288606/step, 2.49788 hours remaining, 206.847656 MB of memory in use. ENERGY: 1884200 785.4970 2070.2058 1966.8019 128.1153 -205815.6242 17750.0544 0.0000 0.0000 34451.0777 -148663.8719 300.8698 -183114.9497 -148558.2926 300.8542 46.6242 76.5728 558084.7870 16.2453 16.2936 LDB: ============= START OF LOAD BALANCING ============== 5472.76 LDB: ============== END OF LOAD BALANCING =============== 5472.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5472.76 LDB: ============= START OF LOAD BALANCING ============== 5473.05 LDB: Largest compute 4821 load 0.028970 is 24.6% of average load 0.117743 LDB: Average compute 0.001725 is 1.5% of average load 0.117743 LDB: TIME 5473.05 LOAD: AVG 0.117743 MAX 0.180611 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 5473.05 LOAD: AVG 0.117743 MAX 0.180611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 5473.05 LOAD: AVG 0.117743 MAX 0.180611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: ============== END OF LOAD BALANCING =============== 5473.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5473.06 PRESSURE: 1884400 -117.355 107.419 275.561 107.42 -115.531 -62.0876 275.56 -62.0882 366.892 GPRESSURE: 1884400 -82.8467 83.0421 203.34 89.9407 -114.806 -25.3517 308.909 -67.9892 435.832 PRESSAVG: 1884400 44.9788 6.2011 49.2811 6.2012 -33.4619 -32.3786 49.2812 -32.3787 -24.9043 GPRESSAVG: 1884400 44.9466 5.73273 48.7046 5.45773 -34.3534 -31.8951 48.1295 -33.4711 -24.5813 TIMING: 1884400 CPU: 5469.88, 0.00293612/step Wall: 5469.88, 0.00293612/step, 2.54105 hours remaining, 206.132812 MB of memory in use. ENERGY: 1884400 755.0388 2050.9435 1941.1464 115.0847 -205909.5369 17780.0936 0.0000 0.0000 34441.2381 -148825.9917 300.7839 -183267.2299 -148724.0235 300.6604 44.6687 79.3930 558751.8369 -4.4625 -4.6627 PRESSURE: 1884600 -18.7489 -92.4644 -33.1721 -92.4648 63.9325 -58.2646 -33.1724 -58.265 -7.73231 GPRESSURE: 1884600 26.3924 -46.8766 -41.2687 -195.309 82.4131 -81.313 10.539 -82.1249 22.6811 PRESSAVG: 1884600 -17.0264 54.1618 1.50862 54.1618 -5.34949 -8.05921 1.50857 -8.05918 -6.00934 GPRESSAVG: 1884600 -16.18 53.7205 1.40111 55.1942 -4.6387 -6.95952 3.15775 -9.93826 -7.17988 TIMING: 1884600 CPU: 5470.46, 0.00286988/step Wall: 5470.46, 0.00286988/step, 2.48356 hours remaining, 206.371094 MB of memory in use. ENERGY: 1884600 733.0284 2096.1842 1968.0062 118.3892 -206133.2197 17883.6883 0.0000 0.0000 34445.4195 -148888.5038 300.8204 -183333.9234 -148795.3208 300.1372 12.4838 43.8289 557213.7430 -9.4617 -9.3329 PRESSURE: 1884800 204.159 86.2584 126.821 86.258 95.4901 -5.95068 126.82 -5.95007 -142.954 GPRESSURE: 1884800 190.752 -13.7772 130.572 89.2377 139.071 -32.1579 227.541 -66.8877 -64.0279 PRESSAVG: 1884800 -41.1839 1.24499 36.1404 1.24484 82.534 0.281435 36.1404 0.281519 -44.394 GPRESSAVG: 1884800 -41.8357 1.24601 36.6149 0.979634 82.9418 -0.137783 34.9869 1.07476 -43.9332 TIMING: 1884800 CPU: 5471.03, 0.00287721/step Wall: 5471.03, 0.00287721/step, 2.48975 hours remaining, 206.371094 MB of memory in use. ENERGY: 1884800 751.6971 2092.5404 1996.2910 113.4343 -206144.0424 17795.6412 0.0000 0.0000 34400.1100 -148994.3284 300.4247 -183394.4384 -148892.7397 300.0079 52.2317 88.5986 557113.2988 -1.0146 -0.9423 PRESSURE: 1885000 60.0434 8.72665 54.3586 8.72603 441.435 1.32689 54.3588 1.32772 54.8081 GPRESSURE: 1885000 67.4109 -42.4414 -9.97997 -35.9855 494.637 13.5315 45.4122 -18.1413 85.9539 PRESSAVG: 1885000 -23.7238 10.2354 -25.3685 10.2353 24.8161 -15.9981 -25.3684 -15.9981 49.2142 GPRESSAVG: 1885000 -23.5121 9.95276 -25.7762 7.54558 24.3124 -16.7029 -24.6767 -16.2905 49.7956 TIMING: 1885000 CPU: 5471.61, 0.00287475/step Wall: 5471.61, 0.00287475/step, 2.48746 hours remaining, 206.371094 MB of memory in use. ENERGY: 1885000 730.8572 2084.2139 1970.3515 103.5950 -207020.8592 18321.9854 0.0000 0.0000 34539.5969 -149270.2593 301.6429 -183809.8562 -149174.6935 299.8281 185.4289 216.0005 557511.7703 16.7688 16.8653 PRESSURE: 1885200 -116.838 -193.723 90.2688 -193.723 -111.801 -126.898 90.2677 -126.897 -147.66 GPRESSURE: 1885200 -87.617 -191.164 86.4861 -102.273 -101.693 -75.5162 52.709 -91.3368 -91.2625 PRESSAVG: 1885200 20.6736 26.3998 1.36555 26.3998 -4.15237 -42.6048 1.36555 -42.6049 3.3241 GPRESSAVG: 1885200 19.7447 25.4395 0.610047 27.4353 -3.53598 -44.6132 2.16636 -40.7773 3.08668 TIMING: 1885200 CPU: 5472.18, 0.00287094/step Wall: 5472.18, 0.00287094/step, 2.484 hours remaining, 206.371094 MB of memory in use. ENERGY: 1885200 710.5193 2093.1128 1957.9160 110.8704 -206019.0547 17628.7155 0.0000 0.0000 34139.0829 -149378.8377 298.1451 -183517.9205 -149279.1960 298.5910 -125.4330 -93.5241 558053.7365 6.6151 6.4318 PRESSURE: 1885400 -65.7496 -74.5495 -46.1408 -74.5489 181.844 62.5921 -46.141 62.5918 100.345 GPRESSURE: 1885400 -21.4557 4.5247 48.3407 -191.917 190.847 93.0285 -21.6261 47.7948 157.079 PRESSAVG: 1885400 -31.8854 -53.8914 21.5404 -53.8914 35.8198 -33.7897 21.5404 -33.7899 -4.8106 GPRESSAVG: 1885400 -32.1094 -52.3381 21.7946 -55.4658 35.1057 -33.363 22.8583 -32.7725 -4.43322 TIMING: 1885400 CPU: 5472.76, 0.00287167/step Wall: 5472.76, 0.00287167/step, 2.48447 hours remaining, 206.371094 MB of memory in use. ENERGY: 1885400 756.4369 2080.8280 1972.4702 125.1456 -206771.2404 18012.8128 0.0000 0.0000 34355.2385 -149468.3085 300.0328 -183823.5470 -149368.9331 298.4275 72.1465 108.8235 557181.9274 -0.2921 -0.4790 PRESSURE: 1885600 -127.62 30.2797 13.7778 30.2796 -99.7197 56.962 13.7782 56.9618 -188.499 GPRESSURE: 1885600 -133.745 128.441 19.1164 16.1796 -41.132 100.479 -9.5927 47.4201 -153.522 PRESSAVG: 1885600 -26.8259 46.732 40.8511 46.7322 -38.2188 -25.9658 40.8512 -25.9658 30.7332 GPRESSAVG: 1885600 -26.6663 46.5908 43.2884 47.6641 -38.3893 -24.7924 36.9884 -25.7453 30.3697 TIMING: 1885600 CPU: 5473.34, 0.00289741/step Wall: 5473.34, 0.00289741/step, 2.50658 hours remaining, 206.371094 MB of memory in use. ENERGY: 1885600 729.0508 2045.5934 1957.5355 122.4034 -206026.3743 17488.1551 0.0000 0.0000 34359.3348 -149324.3013 300.0686 -183683.6361 -149223.7975 298.7735 -138.6128 -109.4664 557271.0645 -11.4372 -11.5620 PRESSURE: 1885800 -6.71704 155.145 48.9054 155.145 -48.0679 -212.04 48.905 -212.039 49.3712 GPRESSURE: 1885800 60.0309 148.224 80.7933 97.0505 -48.3094 -110.766 -5.31252 -303.516 81.4874 PRESSAVG: 1885800 27.8309 -2.77403 16.9816 -2.77397 -70.7944 18.7197 16.9817 18.7198 67.181 GPRESSAVG: 1885800 28.6618 -3.29604 15.4256 -1.91962 -69.8677 21.0951 18.9973 16.8042 65.5591 TIMING: 1885800 CPU: 5473.92, 0.00290102/step Wall: 5473.92, 0.00290103/step, 2.50955 hours remaining, 206.371094 MB of memory in use. ENERGY: 1885800 713.3229 2154.5075 1981.2883 124.0397 -206310.6386 17736.2689 0.0000 0.0000 34259.8494 -149341.3619 299.1998 -183601.2113 -149246.2721 298.3301 -1.8046 31.0696 556197.1501 8.0725 8.1177 PRESSURE: 1886000 -47.2454 28.0318 103.911 28.0334 -98.8341 123.872 103.91 123.872 -215.901 GPRESSURE: 1886000 -18.1951 17.1769 74.6582 22.4751 -102.759 119.961 64.8492 136.601 -137.829 PRESSAVG: 1886000 -41.7329 -8.51117 21.8611 -8.51111 10.9313 -63.4539 21.8611 -63.4537 -0.0091798 GPRESSAVG: 1886000 -42.475 -7.87408 21.3709 -9.3008 10.9567 -65.2326 21.5709 -62.9359 0.744664 TIMING: 1886000 CPU: 5474.49, 0.00287896/step Wall: 5474.49, 0.00287896/step, 2.4903 hours remaining, 206.371094 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: 1886000 744.1429 2074.2139 1976.3131 120.2951 -206135.5049 17661.8727 0.0000 0.0000 34262.0779 -149296.5894 299.2192 -183558.6672 -149202.9181 299.0639 -120.6601 -86.2612 557405.9919 -10.2702 -10.2579 PRESSURE: 1886200 -225.272 16.4734 -152.46 16.4736 -146.284 42.5946 -152.46 42.5931 -96.1848 GPRESSURE: 1886200 -224.89 -10.4003 -146.045 6.02264 -80.3258 56.8548 -120.816 85.2586 -74.8867 PRESSAVG: 1886200 -4.14873 18.2435 -7.61062 18.2435 1.89682 -4.01239 -7.61058 -4.01255 -24.5229 GPRESSAVG: 1886200 -3.81935 16.8712 -6.57219 18.9437 1.1126 -5.53608 -9.80244 -3.48589 -24.3411 TIMING: 1886200 CPU: 5475.07, 0.00288827/step Wall: 5475.07, 0.00288827/step, 2.49819 hours remaining, 206.371094 MB of memory in use. ENERGY: 1886200 735.6830 2090.3617 1986.8699 98.9130 -206049.9700 17599.8166 0.0000 0.0000 34185.4764 -149352.8494 298.5503 -183538.3258 -149252.0153 299.3070 -155.9137 -126.7008 557809.4383 -8.9249 -9.0159 PRESSURE: 1886400 4.68206 -135.89 20.5962 -135.89 63.7234 -59.3896 20.5946 -59.3887 -65.4438 GPRESSURE: 1886400 73.1496 -80.5845 51.3501 -125.098 40.7297 -146.618 13.5657 23.8693 -15.735 PRESSAVG: 1886400 -25.6479 -3.53563 26.9042 -3.5357 41.8057 32.2183 26.9042 32.2184 -3.26811 GPRESSAVG: 1886400 -25.0461 -2.76961 25.4283 -1.68184 41.558 32.0276 28.9276 32.449 -4.0891 TIMING: 1886400 CPU: 5475.65, 0.00288913/step Wall: 5475.65, 0.00288913/step, 2.49877 hours remaining, 206.378906 MB of memory in use. ENERGY: 1886400 730.4331 2123.2188 1993.2521 116.5213 -206550.3766 18019.6100 0.0000 0.0000 34248.5205 -149318.8207 299.1008 -183567.3413 -149224.9534 298.8598 0.9872 32.7148 558181.4768 4.2966 4.1410 PRESSURE: 1886600 -115.315 -75.5566 -40.4193 -75.5557 -213.092 -5.15847 -40.4188 -5.15792 -393.448 GPRESSURE: 1886600 -62.2239 -55.585 -48.8664 -65.6594 -190.104 5.16859 43.2038 -1.53767 -377.484 PRESSAVG: 1886600 -20.8437 -23.888 28.954 -23.888 60.0331 10.4597 28.954 10.4598 -34.5097 GPRESSAVG: 1886600 -21.4225 -23.7444 28.1658 -25.7707 60.3124 10.4048 29.1552 9.38078 -34.1194 TIMING: 1886600 CPU: 5476.23, 0.00289815/step Wall: 5476.23, 0.00289815/step, 2.50641 hours remaining, 206.445312 MB of memory in use. ENERGY: 1886600 727.2219 2070.5155 1969.2540 122.5553 -206175.5404 17684.8946 0.0000 0.0000 34184.4334 -149416.6657 298.5412 -183601.0991 -149325.1274 299.4324 -240.6184 -209.9374 559056.0854 1.5599 1.5902 PRESSURE: 1886800 -209.701 94.9585 103.731 94.959 -54.2792 -148.761 103.731 -148.76 13.9002 GPRESSURE: 1886800 -158.729 7.23368 60.4627 79.0771 -62.7913 -197.384 60.6695 -150.191 72.5659 PRESSAVG: 1886800 32.1643 32.169 69.4427 32.169 15.0905 -49.8583 69.4426 -49.8583 -16.415 GPRESSAVG: 1886800 32.0858 29.8359 70.0901 32.4545 14.7016 -50.0772 68.634 -46.8015 -16.3796 TIMING: 1886800 CPU: 5476.81, 0.00291119/step Wall: 5476.81, 0.00291119/step, 2.51753 hours remaining, 206.445312 MB of memory in use. ENERGY: 1886800 746.4013 2110.0565 1969.1243 138.5619 -206301.1997 17707.1018 0.0000 0.0000 34256.0574 -149373.8966 299.1667 -183629.9540 -149277.1487 299.0771 -83.3601 -49.6516 556498.2344 10.2799 10.1359 PRESSURE: 1887000 30.6205 -281.375 59.1241 -281.376 -238.798 133.421 59.1237 133.42 -190.188 GPRESSURE: 1887000 64.3245 -260.581 68.4809 -243.596 -194.75 64.4087 69.0772 165.607 -160.056 PRESSAVG: 1887000 44.5946 -39.3215 -18.5183 -39.3215 -74.9364 0.0968757 -18.5183 0.0968304 69.483 GPRESSAVG: 1887000 44.5605 -36.4523 -16.5571 -40.2382 -73.4703 -1.70517 -18.3571 -1.54457 68.469 TIMING: 1887000 CPU: 5477.39, 0.00290161/step Wall: 5477.39, 0.00290161/step, 2.50909 hours remaining, 206.445312 MB of memory in use. ENERGY: 1887000 765.7760 2068.9895 1984.2630 100.2224 -206262.0527 17606.3550 0.0000 0.0000 34245.6703 -149490.7766 299.0760 -183736.4468 -149389.8334 298.7736 -132.7885 -96.8271 557632.8739 13.0471 13.1864 PRESSURE: 1887200 -196.992 93.3566 44.35 93.357 -0.678385 56.4082 44.352 56.4077 -263.958 GPRESSURE: 1887200 -111.699 149.261 111.061 4.21458 -19.1913 85.373 57.6294 27.2928 -242.648 PRESSAVG: 1887200 -19.156 -5.22967 22.6668 -5.22959 -23.8838 60.7394 22.6667 60.7394 -4.29644 GPRESSAVG: 1887200 -19.0225 -4.5791 21.6496 -4.28575 -24.2508 62.6238 23.6586 60.5175 -4.28615 TIMING: 1887200 CPU: 5477.97, 0.00290374/step Wall: 5477.97, 0.00290374/step, 2.51077 hours remaining, 206.445312 MB of memory in use. ENERGY: 1887200 742.0899 2127.7888 1951.8827 124.1023 -205995.9277 17656.9197 0.0000 0.0000 34011.3936 -149381.7506 297.0300 -183393.1442 -149284.4065 298.1447 -153.8763 -124.5126 559331.7312 -15.7787 -15.8532 PRESSURE: 1887400 138.592 -90.5791 -27.0931 -90.5798 118.37 -25.8905 -27.0922 -25.8899 -236.125 GPRESSURE: 1887400 157.265 -23.5542 -37.7973 -44.1501 127.646 45.2276 13.3155 17.772 -156.551 PRESSAVG: 1887400 3.89716 -33.3746 -3.37595 -33.3746 51.9536 24.7052 -3.37594 24.7053 -15.3953 GPRESSAVG: 1887400 2.60074 -34.0754 -3.2043 -33.8898 52.1117 25.0283 -4.71823 25.1164 -14.576 TIMING: 1887400 CPU: 5478.55, 0.00289559/step Wall: 5478.55, 0.00289559/step, 2.50356 hours remaining, 206.445312 MB of memory in use. ENERGY: 1887400 726.2441 2168.6884 1982.2018 109.0266 -206140.6342 17685.4502 0.0000 0.0000 33992.2981 -149476.7251 296.8632 -183469.0232 -149382.1979 297.7506 6.9454 42.7866 556546.7574 13.4851 13.3788 PRESSURE: 1887600 -264.026 172.251 -12.3194 172.251 -99.1565 57.0332 -12.3214 57.0312 405.526 GPRESSURE: 1887600 -182.225 82.8356 -72.8979 131.065 -53.1716 35.504 -17.0568 26.2009 368.646 PRESSAVG: 1887600 -13.3253 42.7796 -36.0899 42.7796 16.6302 -3.8956 -36.0898 -3.89558 16.2429 GPRESSAVG: 1887600 -12.5861 40.4334 -36.3831 44.7715 15.6566 -4.77539 -34.5155 -4.81623 15.832 TIMING: 1887600 CPU: 5479.13, 0.00289163/step Wall: 5479.13, 0.00289163/step, 2.49997 hours remaining, 206.445312 MB of memory in use. ENERGY: 1887600 753.4507 2177.5294 1978.8795 125.0756 -206120.5140 17750.5127 0.0000 0.0000 33986.4158 -149348.6503 296.8118 -183335.0661 -149260.4808 298.6457 14.1147 44.4164 556840.2264 6.5159 6.3008 PRESSURE: 1887800 197.232 198.463 85.7689 198.464 -7.99999 191.938 85.7672 191.939 80.5749 GPRESSURE: 1887800 230.494 176.638 163.144 203.586 48.5933 146.244 74.3518 264.936 92.275 PRESSAVG: 1887800 16.2567 -0.696074 -22.3354 -0.69602 -22.4398 -9.91312 -22.3354 -9.91319 -11.7746 GPRESSAVG: 1887800 15.9407 -0.832892 -23.06 -0.406382 -21.7576 -10.8834 -23.189 -10.4812 -12.2664 TIMING: 1887800 CPU: 5479.71, 0.00289927/step Wall: 5479.71, 0.00289927/step, 2.50641 hours remaining, 206.445312 MB of memory in use. ENERGY: 1887800 769.3780 2127.0049 1973.1118 102.7215 -206587.7876 18028.4166 0.0000 0.0000 34320.3573 -149266.7976 299.7282 -183587.1548 -149168.6273 298.7992 89.9356 123.7873 557516.7159 -5.9859 -6.0278 PRESSURE: 1888000 51.486 -64.8779 0.0703507 -64.8799 73.5661 43.0128 0.0704614 43.0118 13.5579 GPRESSURE: 1888000 102.564 -97.4445 -38.303 -6.80676 102.823 37.6344 8.11107 -31.5974 28.2734 PRESSAVG: 1888000 25.4964 96.8405 -30.3658 96.8405 -46.5191 57.5946 -30.3658 57.5947 21.4965 GPRESSAVG: 1888000 25.7818 98.4667 -31.1245 95.832 -47.0547 59.677 -29.9111 59.8139 21.7175 TIMING: 1888000 CPU: 5480.29, 0.00291593/step Wall: 5480.29, 0.00291593/step, 2.52066 hours remaining, 206.445312 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: 1888000 764.7816 2104.0698 1963.0204 121.6923 -206105.6863 17882.9026 0.0000 0.0000 34204.8725 -149064.3470 298.7197 -183269.2195 -148967.4748 299.1810 46.2033 77.8868 558073.7989 0.1580 0.1482 PRESSURE: 1888200 -53.98 -49.1183 39.5228 -49.1184 -39.761 28.6015 39.5217 28.6009 32.1692 GPRESSURE: 1888200 -37.0444 -22.7975 13.1785 -28.8777 -10.1713 14.7286 54.5267 4.21568 72.6226 PRESSAVG: 1888200 43.1537 103.073 -7.59386 103.073 29.1238 -37.113 -7.59381 -37.113 -63.5816 GPRESSAVG: 1888200 42.8661 102.135 -5.42793 103.723 28.8317 -36.7133 -9.58929 -37.6719 -62.9616 TIMING: 1888200 CPU: 5480.87, 0.00289719/step Wall: 5480.87, 0.00289719/step, 2.5043 hours remaining, 206.445312 MB of memory in use. ENERGY: 1888200 709.1871 2135.3022 1986.9467 126.9430 -206125.6435 17660.5018 0.0000 0.0000 34365.3674 -149141.3953 300.1213 -183506.7628 -149050.9461 299.9225 -20.5239 8.4690 557167.7994 2.8987 2.9120 LDB: ============= START OF LOAD BALANCING ============== 5484.33 LDB: ============== END OF LOAD BALANCING =============== 5484.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5484.34 LDB: ============= START OF LOAD BALANCING ============== 5484.63 LDB: Largest compute 4820 load 0.031333 is 26.6% of average load 0.117748 LDB: Average compute 0.001730 is 1.5% of average load 0.117748 LDB: TIME 5484.63 LOAD: AVG 0.117748 MAX 0.176297 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 5484.63 LOAD: AVG 0.117748 MAX 0.176297 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: TIME 5484.63 LOAD: AVG 0.117748 MAX 0.176297 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5484.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5484.64 PRESSURE: 1888400 -103 -241.025 -122.136 -241.024 145.366 113.279 -122.135 113.278 234.18 GPRESSURE: 1888400 -76.519 -204.771 -60.879 -222.298 205.884 148.524 -135.961 110.74 258.473 PRESSAVG: 1888400 74.4476 -6.66498 -19.1605 -6.66496 42.7277 -27.7394 -19.1607 -27.7394 -63.561 GPRESSAVG: 1888400 75.0017 -4.54932 -19.1584 -7.73543 42.6784 -29.607 -17.1315 -27.4443 -63.9491 TIMING: 1888400 CPU: 5481.46, 0.00294654/step Wall: 5481.46, 0.00294654/step, 2.54679 hours remaining, 206.347656 MB of memory in use. ENERGY: 1888400 742.7310 2045.5838 1962.3293 114.7811 -206447.3805 18040.1721 0.0000 0.0000 34406.2793 -149135.5038 300.4786 -183541.7831 -149035.6244 299.6497 92.1819 129.2795 556918.2976 17.8714 17.9103 PRESSURE: 1888600 -19.041 -48.8941 74.3549 -48.8939 -111.936 182.634 74.3553 182.635 -284.639 GPRESSURE: 1888600 6.92303 -57.4983 46.3856 3.33093 -48.1662 158.471 100.199 185.365 -261.531 PRESSAVG: 1888600 -15.9099 -10.5918 41.2974 -10.5917 13.0637 46.8952 41.2975 46.8951 4.68062 GPRESSAVG: 1888600 -16.5128 -12.5377 41.0899 -10.1937 14.3161 47.5162 41.0074 46.5283 4.27981 TIMING: 1888600 CPU: 5482.04, 0.00289543/step Wall: 5482.04, 0.00289543/step, 2.50245 hours remaining, 206.347656 MB of memory in use. ENERGY: 1888600 747.0229 2107.8044 1981.0142 121.7244 -205657.8106 17484.3378 0.0000 0.0000 34267.6325 -148948.2743 299.2678 -183215.9068 -148842.6306 299.7540 -138.5386 -100.9247 558428.6422 0.6115 0.6943 PRESSURE: 1888800 -329.112 -28.8961 -13.4086 -28.895 -116.377 -147.224 -13.408 -147.223 -126.596 GPRESSURE: 1888800 -289.809 -20.15 -44.2343 10.4239 -102.364 -90.4256 -65.1965 -158.065 -85.6246 PRESSAVG: 1888800 36.5198 -47.6117 40.4476 -47.6117 -36.8423 -25.9283 40.4476 -25.9283 -13.1642 GPRESSAVG: 1888800 35.9279 -49.2796 41.6943 -43.8158 -36.6412 -26.1147 37.9564 -25.3006 -12.7356 TIMING: 1888800 CPU: 5482.62, 0.00289484/step Wall: 5482.62, 0.00289484/step, 2.50178 hours remaining, 206.605469 MB of memory in use. ENERGY: 1888800 749.7981 2119.5697 1974.9806 102.9853 -205865.3943 17601.4829 0.0000 0.0000 34244.9699 -149071.6078 299.0698 -183316.5777 -148969.3728 298.7985 -190.6950 -159.2658 558323.0475 -4.4956 -4.4830 PRESSURE: 1889000 -139.056 -8.69563 -92.2393 -8.6958 -370.773 -130.718 -92.2422 -130.719 13.407 GPRESSURE: 1889000 -94.4888 12.1369 -45.8684 52.7995 -344.197 -193.795 -51.6484 -127.904 42.792 PRESSAVG: 1889000 -42.1783 -25.128 -0.683024 -25.128 -34.6937 -14.8094 -0.683107 -14.8095 33.0612 GPRESSAVG: 1889000 -42.001 -23.4764 -3.02776 -29.4915 -34.9602 -14.6973 2.1915 -14.267 33.1343 TIMING: 1889000 CPU: 5483.2, 0.00290599/step Wall: 5483.2, 0.00290599/step, 2.51126 hours remaining, 206.605469 MB of memory in use. ENERGY: 1889000 778.3134 2064.5153 1970.8553 127.6134 -205699.7830 17520.3157 0.0000 0.0000 34088.5093 -149149.6607 297.7034 -183238.1700 -149048.4612 299.8997 -165.4741 -131.9646 557529.7210 -14.6036 -14.6090 PRESSURE: 1889200 304.286 -60.9291 -162.863 -60.9294 -88.5221 -128.907 -162.862 -128.905 153.442 GPRESSURE: 1889200 291.934 -63.9506 -122.876 -102.172 -35.1105 -61.0462 -180.81 -92.0464 211.153 PRESSAVG: 1889200 -4.56144 15.2959 45.7324 15.2959 -24.5491 -44.6078 45.7324 -44.6079 13.2553 GPRESSAVG: 1889200 -4.16264 17.5534 47.7527 14.7631 -24.8837 -44.384 44.791 -44.8604 13.4578 TIMING: 1889200 CPU: 5483.78, 0.00289548/step Wall: 5483.78, 0.00289548/step, 2.50202 hours remaining, 206.605469 MB of memory in use. ENERGY: 1889200 733.5710 2108.0548 1967.1087 110.4782 -205988.0095 17920.1449 0.0000 0.0000 33948.0170 -149200.6349 296.4765 -183148.6519 -149108.0061 299.6442 123.0687 155.9921 556120.5361 -5.2851 -5.1962 PRESSURE: 1889400 72.508 -42.1274 -104.413 -42.1291 -102.01 -188.498 -104.414 -188.498 -210.688 GPRESSURE: 1889400 57.2409 53.2325 -69.4432 -129.249 -98.9774 -159.459 -207.168 -197.759 -96.0114 PRESSAVG: 1889400 -14.5461 -9.09351 10.8207 -9.09353 -18.4347 -65.755 10.8206 -65.7551 27.0202 GPRESSAVG: 1889400 -14.5929 -10.756 10.635 -7.68404 -18.8167 -65.61 10.6982 -66.2136 26.7645 TIMING: 1889400 CPU: 5484.35, 0.0028785/step Wall: 5484.35, 0.0028785/step, 2.48719 hours remaining, 206.617188 MB of memory in use. ENERGY: 1889400 728.9912 2058.3117 1962.5761 132.5818 -206051.0302 17644.3775 0.0000 0.0000 34374.3509 -149149.8408 300.1998 -183524.1918 -149053.1131 298.5386 -80.0635 -45.9160 557864.2665 -1.9869 -2.2150 PRESSURE: 1889600 -223.201 107.177 172.518 107.176 -104.36 63.8721 172.517 63.8734 23.9893 GPRESSURE: 1889600 -136.078 100.122 75.4514 76.7308 -67.7076 67.4676 275.913 93.812 -11.2659 PRESSAVG: 1889600 12.4288 34.1212 29.8611 34.1212 -23.3819 -6.2612 29.8611 -6.26113 41.145 GPRESSAVG: 1889600 11.8036 33.9808 27.5115 32.3881 -23.2166 -4.74186 31.0105 -9.07181 41.7572 TIMING: 1889600 CPU: 5484.93, 0.00288783/step Wall: 5484.93, 0.00288783/step, 2.49508 hours remaining, 206.617188 MB of memory in use. ENERGY: 1889600 758.3579 2084.8387 1971.7099 106.0955 -205878.6412 17758.6411 0.0000 0.0000 34059.6762 -149139.3218 297.4516 -183198.9981 -149042.6892 299.5884 -101.1904 -71.6838 558374.2904 10.0640 10.1148 PRESSURE: 1889800 96.2491 150.775 -68.9532 150.775 -155.547 75.48 -68.9539 75.4806 170.201 GPRESSURE: 1889800 77.9184 141.307 -29.0294 103.03 -65.2041 76.304 42.9551 63.8169 188.861 PRESSAVG: 1889800 12.1127 -20.8825 48.3057 -20.8825 -9.57522 14.1506 48.3056 14.1507 45.1847 GPRESSAVG: 1889800 12.4668 -21.5185 49.7689 -18.6243 -9.35039 13.6241 46.4791 15.6759 44.4099 TIMING: 1889800 CPU: 5485.51, 0.00287952/step Wall: 5485.51, 0.00287952/step, 2.48775 hours remaining, 206.617188 MB of memory in use. ENERGY: 1889800 740.5989 2101.1417 1966.6152 113.7843 -206081.4138 17900.3862 0.0000 0.0000 34248.8471 -149010.0405 299.1037 -183258.8876 -148908.6536 299.3608 36.9677 67.1919 558360.1265 15.9074 15.8421 PRESSURE: 1890000 -155.217 -142.471 1.39058 -142.471 -302.413 -37.7772 1.3885 -37.7756 -500.522 GPRESSURE: 1890000 -181.901 -108.601 81.2412 -145.274 -308.12 9.29939 -3.4574 3.04087 -357.831 PRESSAVG: 1890000 -4.6717 -29.1157 -10.8408 -29.1158 8.64727 23.0787 -10.8409 23.0787 7.2015 GPRESSAVG: 1890000 -5.84979 -27.1991 -9.83052 -30.7559 8.72451 24.4717 -11.2402 24.2922 8.44988 TIMING: 1890000 CPU: 5486.09, 0.00289865/step Wall: 5486.09, 0.00289865/step, 2.50411 hours remaining, 206.617188 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: 1890000 807.8194 2119.9169 1971.1687 121.6439 -205770.1229 17454.4295 0.0000 0.0000 34245.7805 -149049.3640 299.0769 -183295.1445 -148959.1309 299.1057 -319.3842 -282.6174 557763.4024 3.7257 3.7749 PRESSURE: 1890200 9.30274 -121.021 22.1911 -121.021 -1.61111 36.3247 22.1905 36.3237 42.9958 GPRESSURE: 1890200 -12.5538 -90.6259 130.984 -95.2054 89.4494 49.4246 -43.1857 53.7893 75.5755 PRESSAVG: 1890200 -0.214461 -42.1115 11.8121 -42.1114 -41.5373 -5.30695 11.8121 -5.30703 16.5448 GPRESSAVG: 1890200 0.315149 -42.6956 12.821 -40.6538 -41.4236 -5.98699 9.81316 -5.13784 15.7091 TIMING: 1890200 CPU: 5486.66, 0.00288209/step Wall: 5486.66, 0.00288209/step, 2.48965 hours remaining, 206.617188 MB of memory in use. ENERGY: 1890200 775.9601 2090.1554 1939.2439 130.0913 -206279.3994 17908.3566 0.0000 0.0000 34347.8345 -149087.7577 299.9682 -183435.5922 -148989.0732 299.0337 16.8958 50.8237 556779.4613 -8.4023 -8.4665 PRESSURE: 1890400 -25.5857 -164.188 -18.3044 -164.188 -172.432 -55.806 -18.304 -55.8069 -190.891 GPRESSURE: 1890400 -18.8276 -132.766 -75.3187 -96.3912 -146.871 -82.5272 -10.0726 -142.948 -127.132 PRESSAVG: 1890400 -13.8004 -32.0545 3.78945 -32.0544 7.93183 34.4635 3.7895 34.4635 -7.24273 GPRESSAVG: 1890400 -14.5066 -29.1206 3.13934 -33.1043 6.59624 32.7612 4.761 32.9779 -5.09643 TIMING: 1890400 CPU: 5487.25, 0.0029148/step Wall: 5487.25, 0.0029148/step, 2.51774 hours remaining, 206.617188 MB of memory in use. ENERGY: 1890400 765.0981 2061.6113 1999.5709 120.0829 -205985.5928 17700.9402 0.0000 0.0000 34275.1914 -149063.0981 299.3338 -183338.2895 -148978.2534 298.8786 -129.6365 -97.6101 557834.1682 -4.3704 -4.3356 PRESSURE: 1890600 14.6092 -54.8657 13.3111 -54.8649 -3.34011 244.925 13.3111 244.925 -10.469 GPRESSURE: 1890600 -50.208 -7.03599 47.9692 -64.0942 29.782 247.246 -100.724 310.044 98.1953 PRESSAVG: 1890600 -25.2564 -30.5839 -16.6543 -30.5839 -16.4012 45.5842 -16.6543 45.5842 35.9867 GPRESSAVG: 1890600 -24.3545 -32.6597 -18.0531 -29.6128 -15.0043 47.6158 -15.1053 44.9162 33.5749 TIMING: 1890600 CPU: 5487.83, 0.00290258/step Wall: 5487.83, 0.00290258/step, 2.50703 hours remaining, 206.617188 MB of memory in use. ENERGY: 1890600 738.3837 2142.4853 1939.6688 124.0857 -206342.9462 17969.7500 0.0000 0.0000 34169.2082 -149259.3646 298.4082 -183428.5728 -149165.0746 299.0323 0.2667 25.9231 556593.8654 -1.8903 -1.9280 PRESSURE: 1890800 -182.961 -125.088 -66.4415 -125.087 -248.175 -24.5612 -66.4409 -24.5611 -250.71 GPRESSURE: 1890800 -104.363 -46.8218 -59.3956 -203.791 -230.403 -55.6153 70.5223 -58.3603 -242.702 PRESSAVG: 1890800 8.30974 -32.4454 -17.397 -32.4454 32.9201 61.1512 -17.3971 61.1511 9.90533 GPRESSAVG: 1890800 8.42105 -31.2391 -15.4492 -32.5798 33.1467 58.5261 -17.7707 64.0567 9.86902 TIMING: 1890800 CPU: 5488.41, 0.00289282/step Wall: 5488.41, 0.00289282/step, 2.49843 hours remaining, 206.617188 MB of memory in use. ENERGY: 1890800 713.0925 2092.8443 1994.7675 97.6451 -205743.2026 17429.9484 0.0000 0.0000 34216.0396 -149198.8652 298.8172 -183414.9048 -149099.3228 299.3926 -227.2821 -192.4894 558755.9704 17.0451 17.1456 PRESSURE: 1891000 -30.1819 72.7526 -233.901 72.7516 -261.54 102.186 -233.902 102.188 -95.3173 GPRESSURE: 1891000 4.38329 29.7476 -237.992 35.1396 -202.014 15.1554 -262.695 100.472 -82.2132 PRESSAVG: 1891000 -15.6804 10.0865 -21.9481 10.0865 -18.6253 -17.9369 -21.9481 -17.9368 59.2611 GPRESSAVG: 1891000 -15.44 8.96123 -22.4265 10.9073 -20.0621 -15.4487 -21.2695 -21.0614 60.2654 TIMING: 1891000 CPU: 5488.98, 0.00288156/step Wall: 5488.98, 0.00288156/step, 2.48855 hours remaining, 206.617188 MB of memory in use. ENERGY: 1891000 752.0166 2078.2509 1988.0918 116.8970 -206175.5059 17853.1623 0.0000 0.0000 34172.8867 -149214.2006 298.4403 -183387.0874 -149113.5458 298.7929 -129.0130 -93.2813 559845.8865 8.3185 8.2544 PRESSURE: 1891200 -329.381 170.329 44.5793 170.33 51.9242 30.1605 44.5789 30.1578 3.99212 GPRESSURE: 1891200 -314.454 250.842 -1.79383 141.685 102.841 0.701684 18.8124 -28.6926 41.8903 PRESSAVG: 1891200 -32.6664 25.4195 38.2025 25.4195 -7.25969 20.9835 38.2026 20.9836 41.4178 GPRESSAVG: 1891200 -34.4054 25.7013 36.6813 25.2455 -5.78037 19.2833 39.3239 23.5317 41.5227 TIMING: 1891200 CPU: 5489.56, 0.00286541/step Wall: 5489.56, 0.00286541/step, 2.47444 hours remaining, 206.617188 MB of memory in use. ENERGY: 1891200 729.2651 2113.3190 1992.0874 119.9639 -206237.5763 17912.3199 0.0000 0.0000 34118.3587 -149252.2623 297.9641 -183370.6210 -149160.8608 298.8260 -91.1551 -56.5743 560532.4626 0.4972 0.4456 PRESSURE: 1891400 -325.868 69.7211 -17.6297 69.7219 -37.4614 119.793 -17.6298 119.792 -248.639 GPRESSURE: 1891400 -324.969 85.5932 -45.1352 48.8631 16.8777 107.451 65.0212 130.704 -205.693 PRESSAVG: 1891400 -47.5267 -55.8619 -2.20321 -55.862 38.5957 10.1661 -2.20323 10.1662 -15.4811 GPRESSAVG: 1891400 -45.9613 -54.859 -1.98429 -56.8397 38.4425 10.7166 -2.98658 9.77026 -17.1743 TIMING: 1891400 CPU: 5490.13, 0.00289115/step Wall: 5490.13, 0.00289115/step, 2.49651 hours remaining, 206.617188 MB of memory in use. ENERGY: 1891400 766.6380 2169.6277 1944.7166 124.6913 -206110.7293 17643.7967 0.0000 0.0000 34125.7454 -149335.5138 298.0286 -183461.2591 -149238.7799 298.4305 -203.9893 -171.2613 558890.3482 -8.1374 -8.2310 PRESSURE: 1891600 87.7987 -139.001 -67.4777 -139.002 246.535 -2.96416 -67.4794 -2.96226 180.525 GPRESSURE: 1891600 98.0904 -145.553 -63.9929 -116.469 290.039 -85.7206 -62.4375 -23.1484 208.473 PRESSAVG: 1891600 16.4131 -3.02213 -23.0981 -3.02214 10.8781 30.1439 -23.098 30.1439 -16.9886 GPRESSAVG: 1891600 15.6011 -4.6584 -22.6772 -1.43913 10.8682 29.7114 -23.4245 29.8064 -16.2479 TIMING: 1891600 CPU: 5490.71, 0.00288756/step Wall: 5490.71, 0.00288756/step, 2.49324 hours remaining, 206.617188 MB of memory in use. ENERGY: 1891600 748.2661 2153.4835 1946.3283 116.8716 -206707.5721 18139.2476 0.0000 0.0000 34371.5302 -149231.8449 300.1751 -183603.3751 -149136.5178 298.5910 171.6197 198.8674 557084.7583 3.4342 3.4072 PRESSURE: 1891800 -15.4907 29.8312 -92.6569 29.8325 -111.537 -87.703 -92.6572 -87.7021 -44.6927 GPRESSURE: 1891800 46.3993 91.1931 -102.856 35.6789 -80.083 10.6881 -44.9537 -77.5642 -52.6717 PRESSAVG: 1891800 -4.56318 11.8165 -26.8849 11.8165 -55.2528 1.58869 -26.8849 1.58871 57.5158 GPRESSAVG: 1891800 -3.76386 12.0783 -26.3508 10.4774 -56.2351 2.3813 -27.4309 1.38943 57.1793 TIMING: 1891800 CPU: 5491.29, 0.00288289/step Wall: 5491.29, 0.00288289/step, 2.48906 hours remaining, 206.617188 MB of memory in use. ENERGY: 1891800 758.4419 2117.1696 1953.4382 120.0460 -206030.9795 17708.8271 0.0000 0.0000 34229.0592 -149143.9974 298.9309 -183373.0566 -149040.8148 299.5794 -57.2400 -28.7851 556157.3322 -0.7667 -0.9399 PRESSURE: 1892000 -73.6298 128.848 -38.8088 128.847 -187.356 88.3855 -38.8101 88.3862 119.371 GPRESSURE: 1892000 -10.5194 220.878 -67.4517 87.8498 -179.808 65.4946 -70.9202 32.5954 136.193 PRESSAVG: 1892000 19.9265 12.8546 18.3599 12.8545 -46.9233 2.81756 18.3599 2.81759 69.8768 GPRESSAVG: 1892000 18.442 14.401 19.1147 13.1352 -45.1574 1.4544 18.6276 2.60373 69.7122 TIMING: 1892000 CPU: 5491.86, 0.00287843/step Wall: 5491.86, 0.00287843/step, 2.48504 hours remaining, 206.617188 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: 1892000 774.7414 2116.9349 1943.5884 122.4284 -205975.6395 17746.5700 0.0000 0.0000 34218.1794 -149053.1969 298.8359 -183271.3763 -148952.0286 299.0871 -47.2050 -18.0449 555729.7102 14.2933 14.3323 PRESSURE: 1892200 -54.8448 36.1813 91.3879 36.1804 205.29 -198.266 91.3866 -198.266 251.889 GPRESSURE: 1892200 100.306 124.235 -5.35993 6.81147 132.278 -168.04 172.982 -159.328 267.63 PRESSAVG: 1892200 -72.1937 43.1657 -47.8142 43.1656 -27.5746 -13.5489 -47.8142 -13.5488 73.662 GPRESSAVG: 1892200 -70.2484 43.454 -48.5966 42.6566 -29.9973 -11.8192 -49.7964 -12.128 73.6732 TIMING: 1892200 CPU: 5492.44, 0.00285736/step Wall: 5492.44, 0.00285736/step, 2.46669 hours remaining, 206.617188 MB of memory in use. ENERGY: 1892200 745.4932 2207.4503 1956.7693 116.8929 -206147.6802 17807.6927 0.0000 0.0000 34256.4518 -149056.9299 299.1701 -183313.3818 -148966.6457 299.8649 134.1114 166.7378 556633.2912 -8.7021 -8.8575 LDB: ============= START OF LOAD BALANCING ============== 5495.9 LDB: ============== END OF LOAD BALANCING =============== 5495.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5495.9 LDB: ============= START OF LOAD BALANCING ============== 5496.19 LDB: Largest compute 4820 load 0.027937 is 23.7% of average load 0.117848 LDB: Average compute 0.001718 is 1.5% of average load 0.117848 LDB: TIME 5496.19 LOAD: AVG 0.117848 MAX 0.176715 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.617 MB LDB: TIME 5496.19 LOAD: AVG 0.117848 MAX 0.176715 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.617 MB LDB: TIME 5496.19 LOAD: AVG 0.117848 MAX 0.176715 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5496.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5496.19 PRESSURE: 1892400 -152.139 -42.8211 49.1201 -42.8218 -66.942 -77.4718 49.1191 -77.4724 30.9245 GPRESSURE: 1892400 -132.315 -38.695 31.2059 -9.33444 -2.79202 -114.72 -5.70687 -66.0633 53.401 PRESSAVG: 1892400 -19.9063 32.9435 10.1096 32.9434 -18.9035 2.99755 10.1096 2.99751 80.526 GPRESSAVG: 1892400 -21.5322 30.1921 10.7053 35.7074 -17.1801 1.15236 10.5609 2.79958 80.772 TIMING: 1892400 CPU: 5493.02, 0.00291805/step Wall: 5493.02, 0.00291805/step, 2.51892 hours remaining, 206.500000 MB of memory in use. ENERGY: 1892400 743.7056 2118.6486 1957.6689 117.5032 -206198.2792 17632.8199 0.0000 0.0000 34411.0037 -149216.9293 300.5199 -183627.9330 -149122.8399 299.9626 -62.7187 -27.2353 556177.3587 13.9054 14.0199 PRESSURE: 1892600 -188.557 73.0032 -79.0858 73.0043 3.2423 107.831 -79.0871 107.83 -242.328 GPRESSURE: 1892600 -147.937 14.0991 -63.3555 36.9865 -13.4576 185.491 -123.201 59.475 -173.677 PRESSAVG: 1892600 -34.2029 -13.2049 -30.7084 -13.2049 33.7483 -13.3373 -30.7084 -13.3374 12.8357 GPRESSAVG: 1892600 -33.3838 -11.9195 -31.0806 -15.7471 33.2937 -13.8295 -29.9447 -12.4179 13.0931 TIMING: 1892600 CPU: 5493.59, 0.00286202/step Wall: 5493.59, 0.00286203/step, 2.4704 hours remaining, 206.500000 MB of memory in use. ENERGY: 1892600 775.3729 2113.7642 1979.3677 108.8868 -206105.0193 17582.3586 0.0000 0.0000 34382.6132 -149162.6559 300.2719 -183545.2691 -149068.3932 299.7244 -142.5476 -111.6904 555830.7933 4.1270 4.3343 PRESSURE: 1892800 227.816 81.2687 70.9775 81.2677 -95.5463 124.375 70.9783 124.374 192.978 GPRESSURE: 1892800 278.199 104.722 50.6362 -19.3477 -63.4307 122.831 125.954 92.6022 218.231 PRESSAVG: 1892800 -4.2187 -1.97382 30.2161 -1.97377 17.6791 -4.67925 30.216 -4.67917 -4.2289 GPRESSAVG: 1892800 -5.04051 -0.261102 30.2064 -2.15834 19.6537 -1.6492 28.3252 -7.26675 -4.92494 TIMING: 1892800 CPU: 5494.17, 0.00287304/step Wall: 5494.17, 0.00287304/step, 2.47976 hours remaining, 206.500000 MB of memory in use. ENERGY: 1892800 753.3945 2078.1060 1992.1902 115.1020 -206354.3148 17940.7581 0.0000 0.0000 34303.6534 -149171.1106 299.5823 -183474.7640 -149080.3287 300.0666 108.4157 144.3330 555859.8062 3.0772 3.2294 PRESSURE: 1893000 19.7326 -6.88819 -113.635 -6.88892 -51.4049 59.5123 -113.637 59.5102 139.413 GPRESSURE: 1893000 14.201 -21.0515 -90.6622 11.9725 -15.7081 84.1348 -111.732 85.1153 209.583 PRESSAVG: 1893000 30.9042 -42.5856 22.821 -42.5856 -1.66243 19.639 22.8209 19.639 6.52152 GPRESSAVG: 1893000 30.5256 -43.1032 24.0649 -41.5001 -1.96256 19.6443 25.7092 19.0396 7.17096 TIMING: 1893000 CPU: 5494.74, 0.00287633/step Wall: 5494.74, 0.00287633/step, 2.48244 hours remaining, 206.550781 MB of memory in use. ENERGY: 1893000 738.3272 2063.7566 1955.6277 110.1241 -206470.1328 17998.1613 0.0000 0.0000 34388.0076 -149216.1283 300.3190 -183604.1359 -149113.6989 299.2076 35.9136 69.3587 556019.2336 11.9211 11.9113 PRESSURE: 1893200 33.9188 -114.384 13.4547 -114.384 -114.385 -7.39152 13.4556 -7.39163 134.952 GPRESSURE: 1893200 114.722 -117.838 31.8417 -217.79 -128.325 -34.4287 13.7298 32.1795 164.024 PRESSAVG: 1893200 14.561 -45.7008 22.075 -45.7007 -30.9963 37.7809 22.075 37.7809 10.3159 GPRESSAVG: 1893200 15.6059 -46.2895 21.3486 -46.593 -32.0526 35.5813 21.499 40.2287 10.0489 TIMING: 1893200 CPU: 5495.32, 0.00286969/step Wall: 5495.32, 0.00286969/step, 2.47654 hours remaining, 206.550781 MB of memory in use. ENERGY: 1893200 732.6602 2118.0341 1950.5842 109.8015 -206350.7877 17935.5747 0.0000 0.0000 34461.4022 -149042.7308 300.9600 -183504.1330 -148950.6173 298.9052 18.1617 50.1402 556391.7656 -2.0398 -2.1326 PRESSURE: 1893400 -141.001 29.5817 -227.351 29.5809 225.776 103.473 -227.351 103.472 213.484 GPRESSURE: 1893400 -140.983 22.3376 -97.1423 35.5866 274.995 87.8804 -268.679 95.8235 267.307 PRESSAVG: 1893400 -34.6314 -60.8976 -18.7933 -60.8976 35.1689 22.5461 -18.7934 22.5462 -25.8426 GPRESSAVG: 1893400 -35.5942 -60.3086 -18.7033 -61.9021 34.9097 22.9226 -18.6715 22.5121 -24.7153 TIMING: 1893400 CPU: 5495.89, 0.00287147/step Wall: 5495.89, 0.00287147/step, 2.47792 hours remaining, 206.550781 MB of memory in use. ENERGY: 1893400 735.4537 2070.3594 1968.3752 107.6307 -206379.2482 17927.2912 0.0000 0.0000 34491.5087 -149078.6292 301.2229 -183570.1380 -148982.1938 299.5813 99.4197 133.7730 555464.2512 -8.4350 -8.4666 PRESSURE: 1893600 42.4576 -46.5381 -153.503 -46.5383 -285.378 37.256 -153.502 37.2575 -149.859 GPRESSURE: 1893600 90.0712 -102.747 -80.6843 -24.2061 -246.256 4.37306 -202.951 86.6398 -137.432 PRESSAVG: 1893600 11.4636 -68.844 -37.5084 -68.844 20.9771 15.3263 -37.5084 15.3263 -16.309 GPRESSAVG: 1893600 13.0377 -68.32 -38.6029 -68.0517 19.7406 15.018 -38.1155 14.7301 -17.3429 TIMING: 1893600 CPU: 5496.47, 0.00288636/step Wall: 5496.47, 0.00288636/step, 2.49061 hours remaining, 206.550781 MB of memory in use. ENERGY: 1893600 776.0991 2108.2739 1952.8612 105.3992 -206070.3029 17732.2156 0.0000 0.0000 34230.5473 -149164.9066 298.9439 -183395.4539 -149074.9129 299.6697 -130.9266 -97.8725 557444.3509 5.3772 5.1451 PRESSURE: 1893800 -236.79 -10.0366 -1.40644 -10.0366 -62.3415 16.1582 -1.40627 16.158 -268.057 GPRESSURE: 1893800 -215.039 66.6672 49.1689 -36.7252 33.3952 -17.7059 19.1114 71.0672 -288.1 PRESSAVG: 1893800 8.63253 10.2784 -8.48831 10.2784 21.7636 -33.0967 -8.48836 -33.0966 -62.5088 GPRESSAVG: 1893800 7.21 8.65445 -6.30985 9.1606 23.6048 -31.7603 -8.31267 -33.3166 -63.1134 TIMING: 1893800 CPU: 5497.04, 0.00288073/step Wall: 5497.04, 0.00288073/step, 2.48559 hours remaining, 206.792969 MB of memory in use. ENERGY: 1893800 738.4281 2101.9247 1981.9482 108.3017 -205876.6546 17580.2931 0.0000 0.0000 34300.3555 -149065.4033 299.5535 -183365.7588 -148968.6590 299.0201 -189.0627 -156.5815 558182.8720 -10.7042 -10.7662 PRESSURE: 1894000 38.9542 29.4297 -58.0492 29.4295 21.3572 70.9513 -58.0482 70.9502 196.021 GPRESSURE: 1894000 44.1534 6.70489 -96.6645 55.7049 108.082 -48.1847 -61.0478 128.858 206.873 PRESSAVG: 1894000 7.79443 16.2768 -32.5165 16.2767 45.526 -64.1757 -32.5165 -64.1759 -38.9342 GPRESSAVG: 1894000 8.40354 17.2512 -33.193 17.3926 44.8923 -64.9159 -31.6326 -63.6675 -38.0787 TIMING: 1894000 CPU: 5497.62, 0.0028847/step Wall: 5497.62, 0.0028847/step, 2.48885 hours remaining, 206.792969 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: 1894000 741.8801 2072.7905 1982.5657 104.2705 -206017.5161 17946.4004 0.0000 0.0000 34208.4105 -148961.1984 298.7506 -183169.6090 -148867.4669 299.3592 85.4442 119.7029 556996.8460 4.7954 5.0724 PRESSURE: 1894200 35.5216 119.897 -45.4017 119.898 -60.6674 -185.015 -45.4025 -185.016 52.9967 GPRESSURE: 1894200 21.0548 150.77 -15.1716 128.523 -4.55241 -173.946 -20.0474 -212.443 111.074 PRESSAVG: 1894200 -57.6478 45.5264 -51.3636 45.5264 81.2609 -19.8976 -51.3635 -19.8976 -21.5422 GPRESSAVG: 1894200 -57.3386 46.4034 -50.6885 47.2787 80.9789 -18.8935 -53.461 -21.1155 -21.9535 TIMING: 1894200 CPU: 5498.2, 0.00290668/step Wall: 5498.2, 0.00290668/step, 2.50765 hours remaining, 206.792969 MB of memory in use. ENERGY: 1894200 774.5886 2041.2631 1962.5166 108.6184 -206055.5467 17771.7927 0.0000 0.0000 34408.0866 -148988.6807 300.4944 -183396.7673 -148889.7610 299.3125 9.2836 42.5254 556698.1438 0.6903 0.5623 PRESSURE: 1894400 -90.6933 86.7934 -149.648 86.7947 -78.0005 143.825 -149.65 143.823 -78.2589 GPRESSURE: 1894400 -53.9494 123.282 -163.219 117.669 -7.9508 2.96544 -53.254 165.071 -84.1376 PRESSAVG: 1894400 -64.887 32.5688 -41.5141 32.5688 80.5062 17.1739 -41.5141 17.174 -5.83706 GPRESSAVG: 1894400 -65.4668 31.6074 -43.2583 31.1387 80.0257 16.6197 -40.239 18.1389 -4.64125 TIMING: 1894400 CPU: 5498.78, 0.00287186/step Wall: 5498.78, 0.00287186/step, 2.47746 hours remaining, 206.792969 MB of memory in use. ENERGY: 1894400 787.7170 2100.3144 1992.2731 114.4971 -206213.9532 17857.5844 0.0000 0.0000 34434.0506 -148927.5165 300.7211 -183361.5671 -148832.8356 299.3683 -82.3176 -48.6793 558332.9047 3.2607 3.3059 PRESSURE: 1894600 -30.9324 -48.7756 166.396 -48.7755 -42.5858 -17.2124 166.395 -17.2133 -49.2085 GPRESSURE: 1894600 31.419 40.788 186.449 -73.1551 -26.1634 14.1661 100.711 -38.6958 -29.3363 PRESSAVG: 1894600 8.87539 16.18 -17.0672 16.18 -45.6509 -38.2692 -17.0672 -38.2691 -5.10219 GPRESSAVG: 1894600 9.10251 16.0455 -16.2987 16.1388 -45.7111 -38.8535 -15.9218 -38.2934 -5.21279 TIMING: 1894600 CPU: 5499.35, 0.00289269/step Wall: 5499.35, 0.00289269/step, 2.49527 hours remaining, 206.792969 MB of memory in use. ENERGY: 1894600 745.6313 2056.4666 1970.1861 116.7990 -205881.7076 17737.0405 0.0000 0.0000 34236.6092 -149018.9749 298.9968 -183255.5841 -148911.6237 299.5344 -40.9089 -8.0269 558862.4359 -13.9592 -13.9405 PRESSURE: 1894800 296.083 -16.6958 75.481 -16.6961 -172.101 21.594 75.4812 21.5955 -104.079 GPRESSURE: 1894800 382.329 55.6405 28.0124 14.6655 -154.477 -72.3845 70.9739 -56.5915 -113.03 PRESSAVG: 1894800 102.009 -5.24162 44.4974 -5.2417 -26.1882 -16.1862 44.4974 -16.1863 -53.4976 GPRESSAVG: 1894800 102.557 -4.22099 45.5376 -4.92621 -26.8331 -15.3392 41.5885 -14.2464 -53.7701 TIMING: 1894800 CPU: 5499.93, 0.00288386/step Wall: 5499.93, 0.00288386/step, 2.48749 hours remaining, 206.792969 MB of memory in use. ENERGY: 1894800 738.5194 2108.8606 1969.8194 113.6365 -206051.5779 17818.0889 0.0000 0.0000 34319.6473 -148983.0057 299.7220 -183302.6530 -148877.6777 300.2237 6.6344 38.2743 558384.8658 7.4410 7.3180 PRESSURE: 1895000 183.225 -282.147 -14.9695 -282.148 208.371 56.9317 -14.9703 56.9312 -58.3196 GPRESSURE: 1895000 231.893 -324.946 7.06841 -214.652 183.873 -40.8166 -20.9838 117.089 2.97233 PRESSAVG: 1895000 9.10535 -111.519 -52.8184 -111.519 -1.14836 -8.19098 -52.8184 -8.19102 -46.8977 GPRESSAVG: 1895000 8.13196 -113.264 -55.124 -111.374 -0.193343 -9.44971 -51.0157 -9.53686 -46.3966 TIMING: 1895000 CPU: 5500.5, 0.00286731/step Wall: 5500.5, 0.00286731/step, 2.47305 hours remaining, 206.792969 MB of memory in use. ENERGY: 1895000 751.3398 2125.1900 1973.7284 117.6338 -206286.7229 17922.6295 0.0000 0.0000 34329.6743 -149066.5271 299.8096 -183396.2015 -148976.7687 299.3943 111.0920 139.5792 557191.4552 -12.9802 -12.8193 PRESSURE: 1895200 -107.098 -74.653 -223.937 -74.6533 -62.0513 -63.886 -223.937 -63.8866 26.6199 GPRESSURE: 1895200 -41.2071 -28.4043 -130.907 -85.1574 -54.7419 -127.571 -193.178 -57.8222 51.0156 PRESSAVG: 1895200 -26.4472 -53.1794 -14.5499 -53.1795 7.3096 2.02061 -14.5498 2.02059 52.2159 GPRESSAVG: 1895200 -25.4731 -53.5492 -13.2391 -52.416 6.65498 3.28972 -13.7102 0.734779 51.9689 TIMING: 1895200 CPU: 5501.08, 0.00287751/step Wall: 5501.08, 0.00287751/step, 2.48169 hours remaining, 206.792969 MB of memory in use. ENERGY: 1895200 761.1178 2074.9059 1970.4096 105.3286 -206178.2612 17936.5079 0.0000 0.0000 34417.2146 -148912.7769 300.5741 -183329.9914 -148807.2789 299.3309 -47.5099 -14.9778 559684.5914 11.0261 11.0503 PRESSURE: 1895400 -274.857 -5.18687 89.6412 -5.18625 74.3713 -43.0854 89.6408 -43.0868 389.042 GPRESSURE: 1895400 -226.515 12.1867 19.79 -40.5928 135.737 91.8764 192.541 -97.7089 388.512 PRESSAVG: 1895400 57.6492 -23.0137 -20.5226 -23.0137 -105.229 10.7135 -20.5226 10.7136 38.8553 GPRESSAVG: 1895400 56.6478 -22.882 -20.1049 -23.0412 -104.178 10.5691 -22.76 11.2254 38.7048 TIMING: 1895400 CPU: 5501.65, 0.00285352/step Wall: 5501.65, 0.00285352/step, 2.46085 hours remaining, 206.792969 MB of memory in use. ENERGY: 1895400 763.6052 2157.0446 1987.0778 114.6479 -206415.9231 17984.2957 0.0000 0.0000 34319.2485 -149090.0035 299.7185 -183409.2520 -148997.6682 298.9907 62.8523 99.2447 557520.4768 -2.9083 -2.9417 PRESSURE: 1895600 -48.4043 -66.4279 -81.0653 -66.428 -35.2037 201.59 -81.0652 201.59 -89.9527 GPRESSURE: 1895600 -73.3052 -63.9202 -51.1073 -9.57904 63.2339 189.667 -97.1595 131.536 -76.7135 PRESSAVG: 1895600 1.0482 -25.5953 6.5017 -25.5953 20.2795 14.2402 6.5017 14.2402 33.8598 GPRESSAVG: 1895600 1.26392 -25.3298 5.82079 -26.9609 19.8855 16.2445 8.57801 14.8226 34.0014 TIMING: 1895600 CPU: 5502.23, 0.0028767/step Wall: 5502.23, 0.0028767/step, 2.48067 hours remaining, 206.792969 MB of memory in use. ENERGY: 1895600 760.4996 2086.4605 1972.6586 112.8539 -206048.8595 17809.6446 0.0000 0.0000 34201.3322 -149105.4101 298.6887 -183306.7423 -149002.7813 299.1133 -57.8536 -28.9283 558237.2676 18.3958 18.3836 PRESSURE: 1895800 524.851 -78.5784 -66.8571 -78.5787 237.902 43.2515 -66.8572 43.2519 402.503 GPRESSURE: 1895800 598.403 -87.9999 -3.86612 -35.1093 261.397 -6.65168 -44.3006 89.1127 399.822 PRESSAVG: 1895800 45.0867 -5.48057 -46.2388 -5.48056 -85.9382 -3.37519 -46.2389 -3.37522 11.0801 GPRESSAVG: 1895800 46.4033 -5.4619 -46.506 -4.31708 -87.6267 -5.29744 -47.606 -4.77013 11.5308 TIMING: 1895800 CPU: 5502.8, 0.00287914/step Wall: 5502.8, 0.00287914/step, 2.48262 hours remaining, 206.792969 MB of memory in use. ENERGY: 1895800 728.6675 2077.6279 1981.3766 109.3471 -206478.5694 18240.6924 0.0000 0.0000 34258.7301 -149082.1278 299.1900 -183340.8579 -148991.2406 299.3058 388.4185 419.8736 555557.5809 -9.9238 -9.8975 PRESSURE: 1896000 -73.3333 28.1337 -227.259 28.1333 23.5889 -35.049 -227.259 -35.0506 -92.5744 GPRESSURE: 1896000 -57.6802 89.9546 -279.634 57.8932 81.6796 22.569 -169.389 -19.1814 -63.7488 PRESSAVG: 1896000 28.153 -5.40038 -52.5111 -5.40048 -9.26505 27.8904 -52.5112 27.8905 -7.31007 GPRESSAVG: 1896000 27.9566 -5.54117 -51.5527 -5.78043 -7.4768 26.9412 -53.0725 29.0676 -9.41317 TIMING: 1896000 CPU: 5503.38, 0.00287027/step Wall: 5503.38, 0.00287027/step, 2.47481 hours remaining, 206.792969 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: 1896000 766.6691 2091.7845 1981.5812 120.6487 -205859.2435 17710.4578 0.0000 0.0000 34214.4443 -148973.6579 298.8033 -183188.1023 -148884.7980 300.0468 -47.4396 -13.2498 557641.7769 3.8593 3.6889 PRESSURE: 1896200 -75.327 85.9435 -65.6737 85.9431 -299.454 -75.8848 -65.6732 -75.8842 -150.826 GPRESSURE: 1896200 -78.5018 91.8793 -46.6905 -6.81734 -207.836 -45.8275 -10.6359 -129.249 -131.247 PRESSAVG: 1896200 43.0939 -9.73385 -19.8613 -9.73395 -11.5943 13.9781 -19.8612 13.9781 -13.4053 GPRESSAVG: 1896200 42.8456 -9.65847 -20.3878 -8.48283 -11.4962 15.6199 -19.6634 13.7051 -12.7132 TIMING: 1896200 CPU: 5503.95, 0.00288175/step Wall: 5503.95, 0.00288175/step, 2.48455 hours remaining, 206.792969 MB of memory in use. ENERGY: 1896200 789.9274 2100.6692 1985.9779 110.2099 -206105.0759 17853.3919 0.0000 0.0000 34152.1406 -149112.7590 298.2591 -183264.8996 -149023.4358 298.9241 -175.2026 -139.1948 557851.7249 6.0314 6.2121 LDB: ============= START OF LOAD BALANCING ============== 5507.42 LDB: ============== END OF LOAD BALANCING =============== 5507.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5507.42 LDB: ============= START OF LOAD BALANCING ============== 5507.71 LDB: Largest compute 4821 load 0.028661 is 24.3% of average load 0.117769 LDB: Average compute 0.001719 is 1.5% of average load 0.117769 LDB: TIME 5507.71 LOAD: AVG 0.117769 MAX 0.179716 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 5507.71 LOAD: AVG 0.117769 MAX 0.179716 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 5507.71 LOAD: AVG 0.117769 MAX 0.179716 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5507.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5507.72 PRESSURE: 1896400 106.015 27.0232 135.385 27.023 144.978 -69.2528 135.385 -69.2519 -123.111 GPRESSURE: 1896400 162.83 20.7899 61.8798 60.9241 185.104 6.99763 112.649 -72.9185 -131.013 PRESSAVG: 1896400 -23.1192 -34.7694 11.8137 -34.7694 -20.678 9.21414 11.8136 9.21399 36.7289 GPRESSAVG: 1896400 -23.4412 -33.7902 13.6508 -35.8266 -21.0474 8.98322 10.7281 8.80981 36.6703 TIMING: 1896400 CPU: 5504.54, 0.00296318/step Wall: 5504.54, 0.00296318/step, 2.55459 hours remaining, 207.929688 MB of memory in use. ENERGY: 1896400 771.7956 2103.5663 1948.4883 115.6665 -206049.6551 17709.9126 0.0000 0.0000 34348.3840 -149051.8419 299.9730 -183400.2258 -148958.2205 299.3835 42.6274 72.3068 556767.8097 -2.3561 -2.6061 PRESSURE: 1896600 -10.5087 162.895 140.868 162.895 -425.008 -43.569 140.868 -43.5681 -328 GPRESSURE: 1896600 6.45475 93.5904 93.5382 86.5519 -419.404 35.2798 178.452 -25.9088 -256.709 PRESSAVG: 1896600 73.8429 48.1089 -13.835 48.1089 14.6454 -32.4952 -13.835 -32.4951 -26.1054 GPRESSAVG: 1896600 74.3187 46.5145 -14.9668 46.7308 14.5886 -34.3112 -12.1736 -34.0584 -26.5331 TIMING: 1896600 CPU: 5505.12, 0.00289285/step Wall: 5505.12, 0.00289285/step, 2.4938 hours remaining, 208.132812 MB of memory in use. ENERGY: 1896600 791.7807 2073.0744 2002.2671 104.2473 -205520.2308 17382.4215 0.0000 0.0000 34272.2626 -148894.1772 299.3082 -183166.4398 -148798.7520 300.0092 -254.5055 -223.2195 558068.8716 20.7943 20.7914 PRESSURE: 1896800 -102.331 -42.6406 -43.2163 -42.6411 -136.868 66.008 -43.2175 66.0084 -292.464 GPRESSURE: 1896800 -63.7218 -53.5312 -13.4449 -23.6165 -173.99 49.1184 -51.8909 59.8575 -181.639 PRESSAVG: 1896800 -13.2626 -1.23188 41.2088 -1.23185 -64.8307 11.4867 41.2087 11.4867 65.3676 GPRESSAVG: 1896800 -14.2107 -2.56095 41.6156 -1.24567 -64.5879 12.5424 41.8237 13.5506 65.9533 TIMING: 1896800 CPU: 5505.7, 0.0028755/step Wall: 5505.7, 0.0028755/step, 2.47868 hours remaining, 208.132812 MB of memory in use. ENERGY: 1896800 763.0846 2105.9437 1960.7398 108.3440 -205710.6181 17551.2704 0.0000 0.0000 34338.2465 -148882.9891 299.8844 -183221.2355 -148786.3544 300.1639 -177.2212 -139.7837 557605.4911 -4.2419 -4.2818 PRESSURE: 1897000 69.6304 -97.0356 -106.079 -97.0353 82.7985 68.9716 -106.08 68.9719 30.5196 GPRESSURE: 1897000 79.8933 -94.5454 -79.9196 -87.5623 121.923 -113.663 -116.451 147.542 68.4975 PRESSAVG: 1897000 1.25882 -35.5935 -3.59565 -35.5933 6.28101 43.6606 -3.5956 43.6606 -8.89476 GPRESSAVG: 1897000 1.26426 -35.2244 -3.01713 -34.188 6.33441 43.0207 -7.44756 45.2543 -9.4399 TIMING: 1897000 CPU: 5506.27, 0.00287585/step Wall: 5506.27, 0.00287585/step, 2.47882 hours remaining, 208.132812 MB of memory in use. ENERGY: 1897000 708.0057 2109.7452 1982.7578 116.0621 -206133.0659 17879.8450 0.0000 0.0000 34293.7205 -149042.9296 299.4956 -183336.6500 -148941.7613 299.7669 60.9828 90.1045 557303.0376 -0.4516 -0.6137 PRESSURE: 1897200 -82.0438 -42.8224 -48.8748 -42.8229 163.67 -61.7393 -48.8745 -61.7399 -137.238 GPRESSURE: 1897200 -46.0571 -39.9531 24.9646 -7.61388 171.92 -137.97 -95.3822 54.9102 -97.0323 PRESSAVG: 1897200 -7.63932 -61.9684 48.1996 -61.9683 73.0991 42.9821 48.1996 42.9821 -31.5099 GPRESSAVG: 1897200 -6.35095 -61.6007 46.8213 -62.559 71.0848 43.5186 50.8824 42.0765 -31.0926 TIMING: 1897200 CPU: 5506.85, 0.0028771/step Wall: 5506.85, 0.0028771/step, 2.47974 hours remaining, 208.132812 MB of memory in use. ENERGY: 1897200 738.5182 2097.2602 1961.0412 120.3110 -205876.8756 17678.9646 0.0000 0.0000 34375.7453 -148905.0351 300.2119 -183280.7804 -148802.0913 300.4892 -18.5372 9.6101 556942.4740 11.3167 11.2137 PRESSURE: 1897400 3.07124 13.904 39.5567 13.9045 14.7604 30.0094 39.5578 30.0109 -12.6087 GPRESSURE: 1897400 40.2485 80.9074 51.7023 -18.3978 7.82719 56.5269 14.1001 24.9133 67.3697 PRESSAVG: 1897400 19.5764 -42.1394 20.1304 -42.1393 4.35691 43.4284 20.1305 43.4286 -22.6875 GPRESSAVG: 1897400 19.5069 -40.9748 19.4423 -44.2799 4.97714 42.7127 20.2407 43.6928 -23.2972 TIMING: 1897400 CPU: 5507.43, 0.00289458/step Wall: 5507.43, 0.00289458/step, 2.49465 hours remaining, 208.132812 MB of memory in use. ENERGY: 1897400 778.8056 2127.6899 1969.5090 124.6930 -206069.7345 17829.2519 0.0000 0.0000 34388.1682 -148851.6169 300.3204 -183239.7852 -148758.9657 300.2278 1.7410 38.4818 556390.5845 0.4153 0.3956 PRESSURE: 1897600 -185.893 -75.6129 21.7726 -75.6142 -233.387 -25.2533 21.7722 -25.2552 98.7967 GPRESSURE: 1897600 -208.089 -119.33 -20.5683 -89.5706 -206.206 -97.3098 -1.42074 -47.4356 201.493 PRESSAVG: 1897600 -17.9008 -21.5522 -12.0444 -21.5523 -2.87171 -1.64612 -12.0444 -1.64618 20.3277 GPRESSAVG: 1897600 -19.5836 -21.0342 -9.96757 -19.7631 -0.70209 -2.6919 -10.694 -2.69592 20.3941 TIMING: 1897600 CPU: 5508, 0.00288481/step Wall: 5508, 0.00288481/step, 2.48607 hours remaining, 208.132812 MB of memory in use. ENERGY: 1897600 760.1882 2126.6350 1987.8567 125.3166 -205749.4689 17594.9944 0.0000 0.0000 34505.4947 -148648.9834 301.3451 -183154.4781 -148559.8268 301.0093 -106.8278 -70.9341 558875.8311 -0.1483 0.0361 PRESSURE: 1897800 275.278 -29.2367 28.3473 -29.2367 -3.96578 -158.87 28.3477 -158.869 -27.4622 GPRESSURE: 1897800 306.263 -82.8549 75.4859 -18.3261 18.6087 -190.066 41.9664 -234.926 18.9215 PRESSAVG: 1897800 33.5485 -4.76525 13.8683 -4.76523 -21.0938 -28.8232 13.8683 -28.8233 -6.11999 GPRESSAVG: 1897800 33.5152 -4.30679 12.9568 -4.46212 -21.8967 -27.4279 13.7464 -28.5142 -5.51003 TIMING: 1897800 CPU: 5508.58, 0.00286867/step Wall: 5508.58, 0.00286867/step, 2.472 hours remaining, 208.601562 MB of memory in use. ENERGY: 1897800 754.8993 2104.4673 1972.6310 126.6440 -205853.8423 17961.8079 0.0000 0.0000 34299.9927 -148633.4000 299.5504 -182933.3928 -148535.9603 301.6440 81.2835 114.5977 558989.5942 2.1116 2.0362 PRESSURE: 1898000 173.555 1.89412 -75.7089 1.8936 -87.7846 51.3213 -75.7076 51.3187 279.081 GPRESSURE: 1898000 256.021 -38.9997 -27.745 23.0878 -33.3462 33.3419 -90.7526 41.2401 250.453 PRESSAVG: 1898000 -15.431 21.1091 -25.1071 21.1091 -24.1218 -15.2763 -25.1071 -15.2763 24.8754 GPRESSAVG: 1898000 -14.4841 19.3387 -23.9096 22.6251 -23.6137 -16.3042 -26.8358 -15.1913 23.9865 TIMING: 1898000 CPU: 5509.16, 0.00289394/step Wall: 5509.16, 0.00289394/step, 2.49361 hours remaining, 208.601562 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: 1898000 742.7583 2087.2150 1978.7280 110.5187 -205882.4812 18010.1800 0.0000 0.0000 34355.9526 -148597.1286 300.0391 -182953.0812 -148503.5426 300.8732 121.6170 157.7093 559131.1218 -4.8925 -4.7038 PRESSURE: 1898200 -119.89 -93.1909 -53.5474 -93.1913 -10.5805 -29.6795 -53.547 -29.6793 -43.7028 GPRESSURE: 1898200 -78.915 -61.0938 -17.1386 -93.6428 38.5847 -80.3346 -102.043 -84.2679 -33.9191 PRESSAVG: 1898200 -35.4652 42.2473 -14.9934 42.2471 -25.3577 41.4779 -14.9935 41.4778 23.7428 GPRESSAVG: 1898200 -35.9008 42.6104 -14.3308 39.6993 -24.8276 44.0179 -13.6739 39.6807 23.8859 TIMING: 1898200 CPU: 5509.73, 0.00286977/step Wall: 5509.73, 0.00286977/step, 2.47262 hours remaining, 208.601562 MB of memory in use. ENERGY: 1898200 777.3027 2113.2868 1967.0578 111.7160 -205729.3201 17731.6142 0.0000 0.0000 34435.4305 -148592.9122 300.7332 -183028.3427 -148492.4957 300.3914 -58.0576 -24.7498 557854.1763 -12.3600 -12.2808 PRESSURE: 1898400 -169.012 37.5057 130.905 37.506 129.581 -27.719 130.906 -27.7203 158.851 GPRESSURE: 1898400 -185.845 13.7489 156.377 32.0657 162.882 -74.5619 125.569 -18.1878 230.536 PRESSAVG: 1898400 -10.3058 5.90997 -10.5401 5.91003 73.0783 -18.8525 -10.5401 -18.8525 -29.4802 GPRESSAVG: 1898400 -11.0774 5.80151 -11.7649 8.3846 71.7393 -19.9933 -10.8634 -17.6721 -27.5422 TIMING: 1898400 CPU: 5510.3, 0.00286527/step Wall: 5510.3, 0.00286527/step, 2.46859 hours remaining, 208.601562 MB of memory in use. ENERGY: 1898400 755.0242 2188.1703 1983.1151 131.3254 -205944.4728 17880.3315 0.0000 0.0000 34298.8456 -148707.6607 299.5403 -183006.5062 -148616.5163 300.8737 39.8065 69.1909 557693.8302 11.0974 11.0399 PRESSURE: 1898600 366.065 82.7035 -159.55 82.7041 201.34 84.5522 -159.549 84.5541 29.5701 GPRESSURE: 1898600 384.997 102.442 -165.822 49.5433 237.718 71.138 -135.054 8.31824 69.746 PRESSAVG: 1898600 30.0099 68.9426 36.6026 68.9424 17.5407 -31.0068 36.6025 -31.0067 -2.2323 GPRESSAVG: 1898600 30.2381 67.7536 35.0712 67.6455 17.6467 -31.2377 35.8797 -30.7888 -3.18422 TIMING: 1898600 CPU: 5510.88, 0.00285902/step Wall: 5510.88, 0.00285902/step, 2.46304 hours remaining, 208.601562 MB of memory in use. ENERGY: 1898600 746.6728 2091.3827 1959.3702 123.1102 -206053.7826 18021.2358 0.0000 0.0000 34341.2136 -148770.7973 299.9104 -183112.0109 -148672.4154 300.2928 198.9917 230.8204 556186.0955 15.1061 14.9002 PRESSURE: 1898800 74.091 -50.411 -60.9258 -50.4105 -4.40064 99.0222 -60.9249 99.0216 -77.319 GPRESSURE: 1898800 122.293 3.58037 -110.634 -90.9538 12.5358 69.2879 1.85298 155.433 -45.0003 PRESSAVG: 1898800 32.3448 55.9433 -42.3289 55.9433 31.3767 18.1306 -42.3289 18.1307 -64.4253 GPRESSAVG: 1898800 32.6893 55.4987 -42.985 55.0248 31.5216 19.3782 -39.3809 17.7929 -65.1148 TIMING: 1898800 CPU: 5511.45, 0.00288805/step Wall: 5511.45, 0.00288805/step, 2.48789 hours remaining, 208.601562 MB of memory in use. ENERGY: 1898800 762.2487 2210.2774 1969.4447 107.7818 -205784.5973 17551.4155 0.0000 0.0000 34444.4947 -148738.9344 300.8123 -183183.4291 -148647.4023 300.1281 -2.5429 29.9430 555373.8455 -0.2346 -0.3013 PRESSURE: 1899000 -158.86 70.2638 73.7596 70.2651 -98.3207 -3.1835 73.76 -3.18465 -111.444 GPRESSURE: 1899000 -171.706 102.571 37.1014 40.1501 -44.2293 42.7425 119.259 -88.9599 -53.5183 PRESSAVG: 1899000 27.1039 -14.3953 4.83506 -14.3953 -3.30444 9.88623 4.83503 9.88629 -51.782 GPRESSAVG: 1899000 26.3544 -13.1391 8.11263 -14.3864 -4.01322 8.19098 2.52563 9.77814 -50.8486 TIMING: 1899000 CPU: 5512.04, 0.00290653/step Wall: 5512.04, 0.00290653/step, 2.50365 hours remaining, 208.601562 MB of memory in use. ENERGY: 1899000 760.7661 2122.8114 1993.5851 118.5398 -205293.3034 17269.4166 0.0000 0.0000 34483.5695 -148544.6149 301.1536 -183028.1844 -148453.1412 300.9604 -122.8749 -89.8179 555896.3651 -9.3275 -9.5025 PRESSURE: 1899200 -244.592 112.912 -12.3019 112.911 -147.621 118.57 -12.3014 118.571 -44.0972 GPRESSURE: 1899200 -193.332 234.502 -55.8862 77.7143 -128.791 138.773 1.80616 44.8113 -25.746 PRESSAVG: 1899200 -30.884 7.69013 -61.0761 7.69018 24.868 65.0143 -61.0761 65.0144 25.2571 GPRESSAVG: 1899200 -29.3892 7.46922 -60.9944 9.11965 24.2174 64.9419 -61.3341 66.7738 24.4227 TIMING: 1899200 CPU: 5512.62, 0.00290119/step Wall: 5512.62, 0.00290119/step, 2.49889 hours remaining, 208.601562 MB of memory in use. ENERGY: 1899200 777.0604 2140.3903 1945.4142 125.5849 -205863.3420 17407.5088 0.0000 0.0000 34616.4651 -148850.9183 302.3142 -183467.3834 -148752.1128 300.9889 -145.4366 -115.9563 557173.3753 6.4137 6.4170 PRESSURE: 1899400 278.5 -65.4447 98.5451 -65.4444 248.239 -83.334 98.5458 -83.3346 157.026 GPRESSURE: 1899400 305.641 -155.216 57.3427 -37.9684 241.313 -51.3264 103.962 -114.464 234.779 PRESSAVG: 1899400 12.8101 -88.6082 -2.32163 -88.6083 32.1319 34.924 -2.32168 34.924 -3.15181 GPRESSAVG: 1899400 12.5225 -88.4215 -5.27141 -87.5993 33.5227 35.461 -2.49174 34.1599 -3.8959 TIMING: 1899400 CPU: 5513.2, 0.00291293/step Wall: 5513.2, 0.00291293/step, 2.50884 hours remaining, 208.601562 MB of memory in use. ENERGY: 1899400 709.3015 2107.7507 1960.1991 119.6355 -206221.6123 17958.0718 0.0000 0.0000 34466.8096 -148899.8442 301.0072 -183366.6538 -148798.0988 300.0619 227.9218 260.5776 555591.7992 13.9300 14.0498 PRESSURE: 1899600 91.3913 51.8298 -4.60948 51.8286 -86.986 -39.5509 -4.60966 -39.5499 -333.561 GPRESSURE: 1899600 91.2711 86.5511 -34.9816 62.9681 -42.2413 -0.420038 46.3176 -77.8028 -269.594 PRESSAVG: 1899600 -20.6483 -39.5205 -90.2136 -39.5206 58.5297 3.01081 -90.2135 3.01079 -74.3024 GPRESSAVG: 1899600 -20.7067 -39.2625 -86.7634 -42.5963 57.2498 3.20631 -91.7412 3.16123 -72.6376 TIMING: 1899600 CPU: 5513.78, 0.00290674/step Wall: 5513.78, 0.00290674/step, 2.50335 hours remaining, 208.601562 MB of memory in use. ENERGY: 1899600 743.0929 2162.2819 1951.2647 112.3451 -205828.7206 17539.4586 0.0000 0.0000 34448.2896 -148871.9879 300.8455 -183320.2775 -148771.7182 300.3163 -109.7186 -73.5212 557455.1807 -12.1404 -12.0315 PRESSURE: 1899800 167.291 76.4184 55.752 76.4188 -197.814 75.1395 55.753 75.1392 49.9107 GPRESSURE: 1899800 245.924 163.063 -25.9691 32.1367 -240.991 24.6307 160.809 70.5502 110.861 PRESSAVG: 1899800 -33.5002 -1.84109 -39.317 -1.84118 13.1219 24.5932 -39.317 24.5932 -35.2113 GPRESSAVG: 1899800 -33.1203 -1.63304 -38.9239 -1.5487 13.2696 21.7918 -38.5959 26.4825 -35.8901 TIMING: 1899800 CPU: 5514.36, 0.00288599/step Wall: 5514.36, 0.002886/step, 2.48532 hours remaining, 208.601562 MB of memory in use. ENERGY: 1899800 727.3764 2106.3154 1948.1557 113.7431 -205849.6089 17492.5387 0.0000 0.0000 34511.4031 -148950.0766 301.3967 -183461.4797 -148858.6870 300.0748 6.4624 38.5980 555951.0816 -18.5298 -18.5803 PRESSURE: 1900000 81.0849 74.3107 -128.726 74.3094 203.128 158.184 -128.726 158.183 41.9098 GPRESSURE: 1900000 113.073 -17.8424 -146.403 167.3 292.298 140.595 -112.714 21.3292 18.5272 PRESSAVG: 1900000 57.1068 21.5894 9.60261 21.5892 13.4937 14.2807 9.60265 14.2806 -64.4107 GPRESSAVG: 1900000 56.9349 19.9588 8.3311 24.4155 14.1059 18.9708 10.5468 11.8736 -63.7462 TIMING: 1900000 CPU: 5514.93, 0.0028901/step Wall: 5514.93, 0.0028901/step, 2.4887 hours remaining, 208.601562 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: 1900000 745.9076 2175.8964 1980.2898 119.3472 -206463.8364 17976.6519 0.0000 0.0000 34349.2949 -149116.4485 299.9809 -183465.7434 -149016.1398 300.2406 108.7077 141.2993 556725.0096 2.0633 2.4315 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.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 208.477 2.85103 -0.252832 2.85128 -37.5351 -51.583 -0.252752 -51.5832 -45.4256 GPRESSURE: 1900200 279.61 -39.458 -1.5983 24.5868 37.1509 -50.0808 8.66177 -10.6514 -83.7619 PRESSAVG: 1900200 50.4392 -22.4253 -6.54683 -22.4252 4.82747 -8.28058 -6.5468 -8.28049 -6.72835 GPRESSAVG: 1900200 51.1532 -18.8739 -6.6594 -25.5579 4.33455 -8.93611 -6.22529 -9.59443 -7.44126 TIMING: 1900200 CPU: 5515.53, 0.00297618/step Wall: 5515.53, 0.00297618/step, 2.56266 hours remaining, 208.726562 MB of memory in use. ENERGY: 1900200 753.5519 2140.0940 1950.4909 112.2633 -206616.4771 18010.3837 0.0000 0.0000 34445.4115 -149204.2818 300.8203 -183649.6933 -149110.2076 299.4198 41.8386 77.6664 556998.8107 16.1795 16.0155 LDB: ============= START OF LOAD BALANCING ============== 5519 LDB: ============== END OF LOAD BALANCING =============== 5519 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5519 LDB: ============= START OF LOAD BALANCING ============== 5519.29 LDB: Largest compute 4820 load 0.029341 is 24.9% of average load 0.117709 LDB: Average compute 0.001715 is 1.5% of average load 0.117709 LDB: TIME 5519.29 LOAD: AVG 0.117709 MAX 0.179544 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.363 MB LDB: TIME 5519.29 LOAD: AVG 0.117709 MAX 0.179544 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.566 MB LDB: TIME 5519.29 LOAD: AVG 0.117709 MAX 0.179544 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.566 MB LDB: ============== END OF LOAD BALANCING =============== 5519.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5519.3 PRESSURE: 1900400 -204.163 -141.449 65.1012 -141.45 -74.197 -11.7048 65.1008 -11.7053 -112.363 GPRESSURE: 1900400 -165.666 -9.42161 117.435 -229.163 -8.33426 51.2231 3.60914 -106.018 -111.464 PRESSAVG: 1900400 -43.0677 -28.8138 40.9346 -28.8138 3.47948 12.2962 40.9346 12.2962 54.5577 GPRESSAVG: 1900400 -43.9858 -30.9757 42.2718 -26.5254 3.39773 13.5425 37.4876 14.1474 55.3348 TIMING: 1900400 CPU: 5516.12, 0.00295324/step Wall: 5516.12, 0.00295324/step, 2.54274 hours remaining, 207.437500 MB of memory in use. ENERGY: 1900400 789.2454 2106.4723 1925.2115 121.4002 -206482.9079 17754.1855 0.0000 0.0000 34667.7719 -149118.6211 302.7623 -183786.3931 -149029.1622 299.7586 -130.2409 -95.1548 556825.2575 4.9898 4.9156 PRESSURE: 1900600 -142.903 149.464 62.0163 149.464 -112.345 -86.6277 62.0144 -86.6295 -155.01 GPRESSURE: 1900600 -178.197 154.021 135.706 118.263 15.0963 -99.4934 127.283 -120.251 -141.7 PRESSAVG: 1900600 39.1467 53.806 16.7989 53.806 -8.92742 -17.3753 16.7988 -17.3753 -16.3059 GPRESSAVG: 1900600 38.702 55.5679 14.0384 53.1267 -8.81291 -20.3559 20.8073 -17.3045 -15.8415 TIMING: 1900600 CPU: 5516.69, 0.00286907/step Wall: 5516.69, 0.00286907/step, 2.47011 hours remaining, 207.437500 MB of memory in use. ENERGY: 1900600 758.6131 2098.4447 1936.2899 112.2297 -205744.1556 17508.0103 0.0000 0.0000 34224.1402 -149106.4276 298.8879 -183330.5679 -149006.6777 299.6627 -136.7530 -101.6005 557372.9332 4.6378 4.6825 PRESSURE: 1900800 252.12 55.9507 67.2145 55.9508 5.38481 47.3648 67.2145 47.3649 -24.5277 GPRESSURE: 1900800 281.89 30.1224 33.0667 72.0644 63.5842 3.28304 -8.61021 79.1761 -13.9254 PRESSAVG: 1900800 -24.4194 -5.8099 23.8587 -5.81005 -10.2956 29.2697 23.8588 29.2697 39.1873 GPRESSAVG: 1900800 -24.0922 -5.7439 24.1667 -5.11181 -10.0449 28.8745 23.4293 30.2875 38.5036 TIMING: 1900800 CPU: 5517.27, 0.0029001/step Wall: 5517.27, 0.0029001/step, 2.49667 hours remaining, 207.437500 MB of memory in use. ENERGY: 1900800 707.9441 2145.0065 1977.9580 119.4081 -206220.7636 17875.0554 0.0000 0.0000 34366.7336 -149028.6578 300.1332 -183395.3915 -148936.4641 299.5017 77.6590 110.5164 557275.7927 1.4908 1.4555 PRESSURE: 1901000 -40.9968 60.1774 -141.952 60.1762 8.67607 -55.4851 -141.953 -55.4843 -25.9945 GPRESSURE: 1901000 48.0852 76.678 -213.733 70.6755 4.97902 -73.7897 -20.3469 3.06213 -22.2034 PRESSAVG: 1901000 23.5297 -22.9302 30.9629 -22.9302 -36.0414 29.3359 30.9628 29.3358 5.44159 GPRESSAVG: 1901000 22.5143 -24.5723 29.4679 -21.8186 -35.513 30.7763 31.9577 27.7784 5.78662 TIMING: 1901000 CPU: 5517.85, 0.00290329/step Wall: 5517.85, 0.00290329/step, 2.49925 hours remaining, 207.437500 MB of memory in use. ENERGY: 1901000 695.2154 2142.8856 1949.6092 118.8286 -206060.9801 17779.4564 0.0000 0.0000 34296.2409 -149078.7441 299.5176 -183374.9849 -148988.7008 299.2866 -19.4384 10.2869 559037.7651 -2.3567 -2.4040 PRESSURE: 1901200 0.261641 13.9084 -12.2276 13.9078 -106.455 -0.642358 -12.2281 -0.642486 -163.636 GPRESSURE: 1901200 -8.75755 125.924 88.0341 -28.6459 -69.823 35.1659 -106.352 -31.1323 -102.729 PRESSAVG: 1901200 2.58663 2.84126 -61.0581 2.84134 -27.7357 88.0256 -61.0581 88.0256 -43.7411 GPRESSAVG: 1901200 3.84558 6.97991 -57.9204 -0.51411 -28.7978 86.9725 -62.9877 88.0312 -44.3427 TIMING: 1901200 CPU: 5518.43, 0.00288192/step Wall: 5518.43, 0.00288192/step, 2.48069 hours remaining, 207.437500 MB of memory in use. ENERGY: 1901200 748.4608 2188.6916 1939.6207 121.3016 -205587.9493 17484.8264 0.0000 0.0000 34036.4023 -149068.6459 297.2484 -183105.0482 -148972.4179 299.9263 -89.9433 -60.4366 557403.5950 -22.9634 -23.0983 PRESSURE: 1901400 29.0328 20.9501 -96.1752 20.9522 -139.32 -37.714 -96.1741 -37.7146 89.3898 GPRESSURE: 1901400 62.2884 66.8291 -32.3538 -42.8727 -115.989 -73.0847 -129.735 -40.7503 125.795 PRESSAVG: 1901400 10.7052 8.73932 -7.65004 8.73934 -0.80625 -8.08057 -7.64998 -8.08068 38.8403 GPRESSAVG: 1901400 10.5956 6.44798 -8.2115 9.50589 -1.24285 -7.84885 -6.8617 -7.42563 39.2186 TIMING: 1901400 CPU: 5519.01, 0.00289758/step Wall: 5519.01, 0.00289758/step, 2.49401 hours remaining, 207.437500 MB of memory in use. ENERGY: 1901400 744.3283 2076.7288 1960.6695 119.9430 -206153.7880 17955.8394 0.0000 0.0000 34051.5004 -149244.7786 297.3802 -183296.2790 -149145.6052 299.4792 -6.9659 24.0313 558096.7954 16.2464 16.1904 PRESSURE: 1901600 44.1341 12.7197 53.0453 12.7202 270.076 100.324 53.0454 100.323 3.38848 GPRESSURE: 1901600 14.1262 22.895 13.7084 -2.07038 315.081 40.2108 6.74749 80.5158 88.4805 PRESSAVG: 1901600 12.5234 27.706 -18.2811 27.706 -24.1204 13.1432 -18.2811 13.1432 -25.4182 GPRESSAVG: 1901600 12.0003 28.4083 -17.4037 28.776 -23.2521 13.9641 -20.3601 12.5629 -25.5672 TIMING: 1901600 CPU: 5519.59, 0.00288522/step Wall: 5519.59, 0.00288522/step, 2.48321 hours remaining, 207.437500 MB of memory in use. ENERGY: 1901600 750.2328 2152.0949 1991.5681 119.4368 -205947.2121 17629.2565 0.0000 0.0000 34047.9931 -149256.6299 297.3496 -183304.6230 -149163.5023 297.9930 105.8660 139.2292 556442.6331 -12.3384 -12.2730 PRESSURE: 1901800 95.3991 102.167 -38.9422 102.165 207.569 118.88 -38.9424 118.881 59.088 GPRESSURE: 1901800 57.2351 102.515 -100.947 34.6509 305.708 180.383 26.4184 40.845 87.6858 PRESSAVG: 1901800 -7.66432 34.7637 6.22357 34.7637 32.954 44.2078 6.22355 44.2078 1.35938 GPRESSAVG: 1901800 -7.96389 33.3052 4.33867 36.5199 34.0516 42.1067 7.65771 45.5736 0.212413 TIMING: 1901800 CPU: 5520.17, 0.00288722/step Wall: 5520.17, 0.00288722/step, 2.48477 hours remaining, 207.437500 MB of memory in use. ENERGY: 1901800 767.2044 2038.4629 1962.5364 115.1888 -206270.2296 17908.1779 0.0000 0.0000 34159.2864 -149319.3729 298.3215 -183478.6593 -149224.6315 298.8484 120.6854 150.2098 556180.7375 8.8830 8.7667 PRESSURE: 1902000 149.019 118.538 -21.9953 118.538 -7.60039 68.4293 -21.9951 68.4317 -139.799 GPRESSURE: 1902000 143.263 57.1058 -8.01858 105.491 85.3859 -22.5133 -65.0815 85.2209 -134.577 PRESSAVG: 1902000 14.8547 -31.7674 -11.0959 -31.7675 44.9086 -10.6658 -11.096 -10.6657 -70.8988 GPRESSAVG: 1902000 15.5652 -33.9054 -9.44779 -33.8104 44.5236 -9.78047 -11.1903 -10.0361 -71.4943 TIMING: 1902000 CPU: 5520.74, 0.00288275/step Wall: 5520.74, 0.00288275/step, 2.48077 hours remaining, 207.695312 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: 1902000 758.8157 2035.9570 1972.3047 124.8496 -206325.0289 17722.1933 0.0000 0.0000 34507.4074 -149203.5013 301.3618 -183710.9087 -149113.0079 298.7228 0.5402 31.3572 556032.1178 -3.7118 -3.8019 PRESSURE: 1902200 -62.2433 -64.2051 -114.242 -64.2058 -40.708 -72.975 -114.243 -72.9731 -57.8533 GPRESSURE: 1902200 -8.8623 -58.1525 -41.0927 -154.424 1.63066 -47.563 -95.3715 -41.88 -70.0951 PRESSAVG: 1902200 46.7936 48.7053 22.5839 48.7053 -1.20551 -39.7184 22.584 -39.7184 -35.4978 GPRESSAVG: 1902200 46.6047 50.6172 23.0311 48.7364 -1.46403 -38.6442 20.9045 -42.8118 -35.6055 TIMING: 1902200 CPU: 5521.32, 0.00289212/step Wall: 5521.32, 0.00289212/step, 2.48867 hours remaining, 207.707031 MB of memory in use. ENERGY: 1902200 747.5702 2092.9398 1955.8796 103.5401 -206317.7234 17892.8244 0.0000 0.0000 34333.8950 -149191.0741 299.8464 -183524.9691 -149094.9034 299.1328 -53.6016 -25.7756 559069.4260 3.3634 3.1784 PRESSURE: 1902400 166.808 186.285 -156.195 186.284 177.609 -193.461 -156.195 -193.461 -108.298 GPRESSURE: 1902400 219.883 223.58 -197.656 178.025 220.844 -176.707 -176.911 -173.033 -104.793 PRESSAVG: 1902400 -27.9214 -15.8639 -21.9001 -15.8639 77.085 -66.5481 -21.8999 -66.5481 -35.1157 GPRESSAVG: 1902400 -29.399 -14.687 -24.2025 -15.342 76.3282 -66.7937 -20.4558 -66.2338 -32.8413 TIMING: 1902400 CPU: 5521.9, 0.00290336/step Wall: 5521.9, 0.00290336/step, 2.49818 hours remaining, 207.707031 MB of memory in use. ENERGY: 1902400 723.8812 2122.2319 1957.0900 119.8612 -206334.5722 18028.0516 0.0000 0.0000 34179.8198 -149203.6364 298.5009 -183383.4563 -149106.5375 298.3748 78.7062 111.9778 558897.6766 4.6827 4.6960 PRESSURE: 1902600 -75.4281 113.211 -53.5668 113.211 -235.613 -18.7349 -53.5664 -18.7346 63.9731 GPRESSURE: 1902600 -24.2583 80.1258 -60.745 65.266 -193.661 26.2287 -30.8648 -25.3414 66.3132 PRESSAVG: 1902600 -69.7834 41.5354 -23.1113 41.5354 60.2767 -30.5494 -23.1113 -30.5492 3.74592 GPRESSAVG: 1902600 -68.6355 41.3655 -23.0766 40.9598 60.1388 -31.7184 -22.4288 -30.0305 2.8884 TIMING: 1902600 CPU: 5522.48, 0.00288574/step Wall: 5522.48, 0.00288574/step, 2.48286 hours remaining, 207.707031 MB of memory in use. ENERGY: 1902600 749.1515 2127.9266 1983.4854 113.6029 -206054.0303 17707.2124 0.0000 0.0000 34267.3964 -149105.2550 299.2657 -183372.6514 -149010.4859 299.4580 -82.3561 -50.5352 558313.6210 -1.9202 -1.8694 PRESSURE: 1902800 -206.729 -86.6184 -78.1116 -86.6193 -188.618 -2.39109 -78.1121 -2.39192 -147.991 GPRESSURE: 1902800 -189.86 -139.615 11.4392 -60.3583 -130.24 -14.9565 -128.408 -14.9151 -136.687 PRESSAVG: 1902800 22.9738 -7.15959 29.9904 -7.15956 -3.89463 -39.7304 29.9904 -39.7303 -33.6167 GPRESSAVG: 1902800 22.3683 -7.06364 30.43 -5.22869 -3.4737 -38.4247 30.7512 -40.2538 -33.4159 TIMING: 1902800 CPU: 5523.05, 0.00286957/step Wall: 5523.05, 0.00286957/step, 2.46879 hours remaining, 207.707031 MB of memory in use. ENERGY: 1902800 747.7687 2057.8340 1949.8537 113.1971 -205973.5836 17623.0367 0.0000 0.0000 34193.7320 -149288.1615 298.6224 -183481.8934 -149193.4041 299.0258 -181.1129 -152.2625 558363.4180 -4.8458 -4.8405 PRESSURE: 1903000 -53.3518 31.9483 76.4958 31.9484 -240.12 -132.282 76.4964 -132.283 -176.749 GPRESSURE: 1903000 0.727276 -74.6114 98.7322 75.9981 -192.625 -91.0327 12.8758 -133.842 -180.523 PRESSAVG: 1903000 27.8659 -3.20215 29.4568 -3.20222 -24.475 -20.0471 29.4567 -20.0471 -34.5526 GPRESSAVG: 1903000 26.1029 -5.86994 30.7587 -3.38338 -22.0672 -21.2338 28.6927 -17.6422 -35.3137 TIMING: 1903000 CPU: 5523.63, 0.00286816/step Wall: 5523.63, 0.00286816/step, 2.46741 hours remaining, 207.707031 MB of memory in use. ENERGY: 1903000 728.1370 2049.5420 1951.8298 115.5398 -205806.0716 17566.4390 0.0000 0.0000 34131.0357 -149263.5484 298.0748 -183394.5840 -149161.3820 298.1219 -156.7402 -124.1402 557978.9769 -10.3872 -10.4260 PRESSURE: 1903200 -391.161 90.8279 166.614 90.828 -93.6046 106.383 166.616 106.384 -336.834 GPRESSURE: 1903200 -333.163 93.4044 42.8134 79.2227 -76.5786 89.6834 217.109 64.1569 -322.145 PRESSAVG: 1903200 -23.8315 -3.29717 6.70056 -3.29718 -31.9166 -27.3104 6.70049 -27.3105 31.4855 GPRESSAVG: 1903200 -21.551 -1.80809 4.59017 -1.50053 -34.1797 -25.8251 7.44174 -29.4784 31.5765 TIMING: 1903200 CPU: 5524.21, 0.00290112/step Wall: 5524.21, 0.00290112/step, 2.4956 hours remaining, 207.707031 MB of memory in use. ENERGY: 1903200 736.6410 2094.4482 1966.8877 109.0289 -206055.7324 17348.3468 0.0000 0.0000 34452.1841 -149348.1956 300.8795 -183800.3797 -149252.0156 299.1924 -273.8667 -243.9621 558259.1095 -8.0875 -8.0514 PRESSURE: 1903400 -117.569 -26.6536 -24.9526 -26.6546 -213.812 -27.4401 -24.9529 -27.4393 -162.583 GPRESSURE: 1903400 -111.077 -66.1955 -30.0914 13.5382 -135.459 -53.613 -57.1607 -12.5318 -159.084 PRESSAVG: 1903400 0.397657 -74.7152 -7.06058 -74.7152 18.0021 62.8092 -7.06063 62.809 -23.1187 GPRESSAVG: 1903400 0.542849 -73.6207 -5.14508 -77.961 19.1482 61.43 -7.70399 61.6369 -23.7866 TIMING: 1903400 CPU: 5524.78, 0.00289001/step Wall: 5524.78, 0.00289001/step, 2.48589 hours remaining, 207.707031 MB of memory in use. ENERGY: 1903400 768.6282 2043.1586 1984.8814 101.3231 -206074.3703 17665.0896 0.0000 0.0000 34179.8252 -149331.4642 298.5009 -183511.2894 -149235.1962 298.9513 -164.6547 -135.2066 556740.8699 -1.5730 -1.3652 PRESSURE: 1903600 -492.275 44.4114 -127.995 44.4114 -246.017 -13.9444 -127.995 -13.9468 -6.79536 GPRESSURE: 1903600 -397.068 122.014 -124.776 -38.239 -250.773 67.3749 -106.197 -74.9541 -3.20622 PRESSAVG: 1903600 -59.733 -42.5815 46.281 -42.5815 67.5762 24.8874 46.281 24.8873 6.79015 GPRESSAVG: 1903600 -59.3652 -43.7541 48.9583 -41.7825 66.206 23.9706 44.3977 26.773 8.17221 TIMING: 1903600 CPU: 5525.36, 0.00290018/step Wall: 5525.36, 0.00290018/step, 2.49447 hours remaining, 207.707031 MB of memory in use. ENERGY: 1903600 749.5733 2053.8366 1984.1284 110.1201 -205590.1559 17357.3830 0.0000 0.0000 34275.8929 -149059.2214 299.3399 -183335.1143 -148952.6962 299.6043 -248.3625 -217.0158 558128.2620 4.8778 5.0043 PRESSURE: 1903800 -95.2598 -1.26278 47.2005 -1.26394 188.82 -34.0971 47.2006 -34.0953 -19.6228 GPRESSURE: 1903800 -57.7459 -21.6923 132.159 56.8932 202.835 -60.1954 32.0398 87.1112 30.2402 PRESSAVG: 1903800 -41.1459 17.2346 17.149 17.2347 -21.9733 22.7729 17.1489 22.7729 22.182 GPRESSAVG: 1903800 -42.652 18.8773 14.6587 18.1015 -20.6123 24.214 15.8751 23.6126 22.2109 TIMING: 1903800 CPU: 5525.94, 0.0028706/step Wall: 5525.94, 0.0028706/step, 2.46888 hours remaining, 207.707031 MB of memory in use. ENERGY: 1903800 732.8130 2033.3732 1976.7966 123.4675 -206098.3063 17886.2094 0.0000 0.0000 34434.1908 -148911.4560 300.7224 -183345.6467 -148813.3349 299.2238 24.6457 58.4432 557434.4055 -13.6457 -13.6845 PRESSURE: 1904000 58.9938 -15.1318 -17.5168 -15.1325 -211.319 16.7266 -17.5163 16.7265 -173.931 GPRESSURE: 1904000 111.697 -40.2166 -52.5424 -28.802 -194.053 21.8808 -1.73171 -8.00214 -136.182 PRESSAVG: 1904000 33.1849 -44.795 26.434 -44.795 -12.1044 49.1718 26.4339 49.1717 33.1127 GPRESSAVG: 1904000 32.8627 -47.2488 25.3085 -44.3943 -11.907 49.5557 29.6498 48.7164 33.3296 TIMING: 1904000 CPU: 5526.51, 0.00286064/step Wall: 5526.51, 0.00286064/step, 2.46015 hours remaining, 207.718750 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: 1904000 752.4742 2077.7845 1952.8741 119.7298 -205633.8827 17665.1279 0.0000 0.0000 34221.4440 -148844.4482 298.8644 -183065.8922 -148749.0532 299.7429 -108.7521 -72.8460 559302.2169 18.0644 18.0951 PRESSURE: 1904200 -139.445 -2.12447 -140.905 -2.12323 187.842 -3.57231 -140.904 -3.57163 -9.87838 GPRESSURE: 1904200 -153.224 -95.9444 -59.6709 -4.10219 260.621 16.385 -252.033 -6.57941 34.9189 PRESSAVG: 1904200 -33.3002 -29.9248 -12.8163 -29.9248 11.4114 22.0149 -12.8162 22.0149 -28.3873 GPRESSAVG: 1904200 -32.9295 -29.7343 -10.8788 -29.2137 10.4548 21.4336 -13.9253 21.4176 -27.8067 TIMING: 1904200 CPU: 5527.08, 0.00286976/step Wall: 5527.08, 0.00286976/step, 2.46783 hours remaining, 207.718750 MB of memory in use. ENERGY: 1904200 718.6113 2110.7659 1964.6716 117.6581 -205838.1146 17834.2277 0.0000 0.0000 34141.4724 -148950.7075 298.1660 -183092.1799 -148859.0584 299.5466 12.8395 47.4388 560942.2435 -16.7587 -16.7604 LDB: ============= START OF LOAD BALANCING ============== 5530.55 LDB: ============== END OF LOAD BALANCING =============== 5530.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5530.55 LDB: ============= START OF LOAD BALANCING ============== 5530.84 LDB: Largest compute 4820 load 0.029837 is 25.3% of average load 0.117749 LDB: Average compute 0.001717 is 1.5% of average load 0.117749 LDB: TIME 5530.84 LOAD: AVG 0.117749 MAX 0.176466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.012 MB LDB: TIME 5530.84 LOAD: AVG 0.117749 MAX 0.176466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: TIME 5530.84 LOAD: AVG 0.117749 MAX 0.176466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5530.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5530.85 PRESSURE: 1904400 -74.6583 -62.7864 46.5994 -62.7871 87.6481 212.66 46.5996 212.659 -87.1812 GPRESSURE: 1904400 -42.7373 -45.5747 42.6132 -117.2 99.1587 144.897 -17.1546 172.388 -35.3897 PRESSAVG: 1904400 -98.7643 -1.96365 20.9 -1.96372 71.7598 2.49235 20.9 2.49231 13.0074 GPRESSAVG: 1904400 -98.0606 -0.603769 20.1013 -4.75188 71.8645 2.42057 19.6203 2.98201 12.6567 TIMING: 1904400 CPU: 5527.67, 0.0029294/step Wall: 5527.67, 0.0029294/step, 2.51896 hours remaining, 206.703125 MB of memory in use. ENERGY: 1904400 724.6079 2095.0882 1975.5289 125.5732 -205746.8023 17721.6208 0.0000 0.0000 34432.4640 -148671.9193 300.7073 -183104.3833 -148578.3013 300.2082 -24.7305 7.0106 558663.0222 -4.6657 -4.5131 PRESSURE: 1904600 -80.2467 80.3039 -59.0911 80.3051 -101.098 120.232 -59.0912 120.232 -82.9718 GPRESSURE: 1904600 -31.2804 54.3771 -90.7115 86.4705 -69.8993 116.57 -19.6225 181.88 -75.2222 PRESSAVG: 1904600 41.9952 6.85428 41.0613 6.85424 69.697 32.9652 41.0612 32.9652 -107.347 GPRESSAVG: 1904600 42.1761 6.79939 39.4322 7.19768 70.5599 32.4381 43.9956 32.5005 -108.661 TIMING: 1904600 CPU: 5528.25, 0.00289144/step Wall: 5528.25, 0.00289144/step, 2.48615 hours remaining, 206.902344 MB of memory in use. ENERGY: 1904600 738.1016 1994.9176 1969.2667 128.3773 -205530.3010 17553.0961 0.0000 0.0000 34519.7770 -148626.7649 301.4698 -183146.5419 -148535.6738 301.1411 -88.1055 -58.8006 558997.5738 1.4484 1.3582 PRESSURE: 1904800 -3.04805 95.6224 3.27467 95.6212 12.5622 -12.8861 3.27524 -12.8844 144.717 GPRESSURE: 1904800 47.8952 103.894 -31.2721 64.3017 39.9224 -35.5254 157.564 -6.03305 154.479 PRESSAVG: 1904800 -34.6915 -12.8686 -35.7797 -12.8686 32.3705 26.1371 -35.7798 26.1372 -12.8432 GPRESSAVG: 1904800 -34.4961 -13.3228 -33.5522 -11.9403 31.2193 28.3618 -36.5923 24.5459 -11.6798 TIMING: 1904800 CPU: 5528.82, 0.00288271/step Wall: 5528.82, 0.00288271/step, 2.47849 hours remaining, 206.902344 MB of memory in use. ENERGY: 1904800 724.8028 2071.9561 1959.7553 124.1487 -205835.2116 17856.9160 0.0000 0.0000 34526.9470 -148570.6858 301.5324 -183097.6328 -148470.8312 300.9556 51.4102 80.7656 558966.5424 -5.0547 -4.9855 PRESSURE: 1905000 -236.788 -114.967 -88.7949 -114.967 142.218 102.131 -88.7961 102.128 -0.63507 GPRESSURE: 1905000 -190.243 -81.1438 -89.8409 -145.499 141.612 86.1011 -117.86 111.671 47.2027 PRESSAVG: 1905000 -11.7701 18.5442 21.5806 18.5443 15.4247 35.9024 21.5806 35.9024 8.31467 GPRESSAVG: 1905000 -12.1826 17.6678 19.3238 18.4638 15.9814 33.7862 22.0314 36.5191 7.68985 TIMING: 1905000 CPU: 5529.4, 0.00288709/step Wall: 5529.4, 0.00288709/step, 2.48209 hours remaining, 207.078125 MB of memory in use. ENERGY: 1905000 740.9373 2080.9176 1962.7162 108.6638 -205498.7622 17633.2003 0.0000 0.0000 34332.0136 -148640.3133 299.8300 -182972.3269 -148535.3694 301.0915 -31.7349 -0.4760 559985.6766 3.9898 3.8296 PRESSURE: 1905200 -29.8983 -29.5635 13.5302 -29.5622 -215.524 -76.493 13.53 -76.4913 22.6202 GPRESSURE: 1905200 -6.52525 -12.4499 71.4101 -42.7711 -197.904 -89.704 9.88223 30.1608 81.1252 PRESSAVG: 1905200 -28.4675 10.0487 -6.7835 10.0488 -20.3912 57.0547 -6.78348 57.0547 7.32322 GPRESSAVG: 1905200 -29.0953 11.4267 -7.41228 10.1428 -19.8695 58.4128 -7.48938 58.3461 7.44051 TIMING: 1905200 CPU: 5529.98, 0.00290343/step Wall: 5529.98, 0.00290343/step, 2.49598 hours remaining, 207.078125 MB of memory in use. ENERGY: 1905200 743.4943 2061.0327 1981.3301 112.0350 -205942.3068 17941.0686 0.0000 0.0000 34542.0100 -148561.3362 301.6640 -183103.3462 -148458.1010 300.2616 -74.2673 -41.1013 560142.9203 -13.8452 -13.8414 PRESSURE: 1905400 349.421 -101.595 14.6246 -101.595 -94.8459 142.03 14.6243 142.031 109.391 GPRESSURE: 1905400 363.46 -84.1566 59.6548 -126.603 -18.4359 68.0548 -26.5205 178.774 116.917 PRESSAVG: 1905400 14.9104 -4.45543 21.9766 -4.45541 -82.8009 90.5416 21.9765 90.5417 50.7778 GPRESSAVG: 1905400 15.4795 -4.60921 22.728 -3.79748 -82.6893 88.9447 23.226 90.9347 49.9478 TIMING: 1905400 CPU: 5530.56, 0.00289847/step Wall: 5530.56, 0.00289847/step, 2.49156 hours remaining, 207.320312 MB of memory in use. ENERGY: 1905400 735.3851 2060.0168 1995.6309 117.1899 -205799.4427 17791.1825 0.0000 0.0000 34562.8537 -148537.1837 301.8460 -183100.0375 -148435.8322 301.0811 121.3221 153.9805 558576.3650 -5.7042 -5.7540 PRESSURE: 1905600 151.249 135.561 -107.94 135.561 -113.768 -0.164389 -107.94 -0.165514 54.1298 GPRESSURE: 1905600 148.548 54.3459 -116.478 199.252 -114.899 -37.7679 -79.9643 -83.7215 169.194 PRESSAVG: 1905600 35.112 3.97703 -8.12608 3.97709 -43.642 -4.50386 -8.12609 -4.5037 32.6936 GPRESSAVG: 1905600 34.5283 4.47827 -5.67465 2.9401 -43.1282 -4.17701 -10.8564 -5.07583 32.8953 TIMING: 1905600 CPU: 5531.14, 0.00288031/step Wall: 5531.14, 0.00288031/step, 2.47579 hours remaining, 207.320312 MB of memory in use. ENERGY: 1905600 747.5149 2129.3587 1964.3084 120.8173 -205814.3268 17967.3701 0.0000 0.0000 34428.3918 -148456.5656 300.6717 -182884.9574 -148360.1689 301.1411 30.5368 67.6143 558473.7261 8.0546 8.0985 PRESSURE: 1905800 -46.3214 -82.0271 -22.1119 -82.0273 -64.6851 -22.0663 -22.113 -22.0655 11.2492 GPRESSURE: 1905800 -41.9199 -15.194 44.7198 -90.1015 -29.4071 -21.2445 -30.5299 7.93286 65.651 PRESSAVG: 1905800 -0.951372 55.8171 7.51112 55.8171 -36.9292 -3.15704 7.51117 -3.15689 61.564 GPRESSAVG: 1905800 -1.01728 55.6011 6.422 56.1428 -37.2652 -1.74595 9.20697 -4.29027 62.3631 TIMING: 1905800 CPU: 5531.71, 0.00288035/step Wall: 5531.71, 0.00288035/step, 2.47566 hours remaining, 207.320312 MB of memory in use. ENERGY: 1905800 744.8119 2112.7179 1956.0472 119.2616 -205783.2470 17856.2108 0.0000 0.0000 34520.6108 -148473.5869 301.4771 -182994.1976 -148377.8642 300.8153 -33.2525 -1.8920 560583.4040 7.8945 8.0269 PRESSURE: 1906000 123.629 1.99937 -168.443 1.99987 276.979 -36.1762 -168.443 -36.1738 169.609 GPRESSURE: 1906000 152.915 65.658 -148.346 -69.7112 287.517 -37.8836 -209.918 -92.9238 223.298 PRESSAVG: 1906000 58.2204 -23.9084 -12.1376 -23.9085 11.7618 -5.43128 -12.1375 -5.43127 -57.8638 GPRESSAVG: 1906000 58.0749 -24.8403 -11.7854 -23.5149 12.3183 -5.71616 -12.6218 -6.81672 -58.3553 TIMING: 1906000 CPU: 5532.29, 0.00289646/step Wall: 5532.29, 0.00289646/step, 2.48935 hours remaining, 207.320312 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: 1906000 731.9265 2110.2224 1945.0403 114.8051 -205999.3467 18194.9838 0.0000 0.0000 34509.1715 -148393.1973 301.3772 -182902.3687 -148297.4364 301.2553 190.0725 221.2431 558775.3519 4.0395 4.0126 PRESSURE: 1906200 131.021 -164.53 -46.2839 -164.529 -99.022 18.4373 -46.2828 18.4364 -48.353 GPRESSURE: 1906200 187.433 -99.2014 -122.182 -163.623 -76.6271 93.1878 -96.6429 20.1597 -35.9529 PRESSAVG: 1906200 -8.54361 -39.3699 -26.7088 -39.37 -11.6092 -20.6643 -26.7087 -20.6643 18.2956 GPRESSAVG: 1906200 -7.25502 -38.642 -28.1359 -37.9593 -12.1912 -22.2339 -25.8028 -19.3768 17.9934 TIMING: 1906200 CPU: 5532.87, 0.00289113/step Wall: 5532.87, 0.00289113/step, 2.4846 hours remaining, 207.320312 MB of memory in use. ENERGY: 1906200 781.7393 2129.7701 1965.8368 125.7981 -205562.7364 17587.6293 0.0000 0.0000 34455.1634 -148516.7994 300.9055 -182971.9628 -148424.3144 302.1845 -5.4513 24.9509 557199.7564 -0.6191 -0.4843 PRESSURE: 1906400 -291.242 149.766 16.4617 149.767 48.396 -55.461 16.4627 -55.4618 24.3055 GPRESSURE: 1906400 -213.198 153.065 6.46019 130.787 40.8837 -5.57496 7.58826 -46.678 49.7167 PRESSAVG: 1906400 -2.44492 52.8956 -3.98017 52.8956 -51.3692 -22.4865 -3.98014 -22.4865 24.8854 GPRESSAVG: 1906400 -3.88213 51.5851 -2.92132 51.7951 -50.6356 -23.0759 -4.56979 -20.0419 25.244 TIMING: 1906400 CPU: 5533.45, 0.00290072/step Wall: 5533.45, 0.00290072/step, 2.49269 hours remaining, 207.320312 MB of memory in use. ENERGY: 1906400 739.6639 2090.7107 1968.7652 118.1567 -205318.6739 17523.8087 0.0000 0.0000 34361.5160 -148516.0526 300.0877 -182877.5686 -148417.6348 301.2653 -72.8468 -40.8657 558052.3294 -9.6429 -9.7579 PRESSURE: 1906600 -41.2625 4.83035 -49.5166 4.831 -146.297 -0.952388 -49.5161 -0.954974 51.673 GPRESSURE: 1906600 -15.5793 -59.0359 -43.5504 11.0918 -120.718 94.5725 -148.48 -66.571 91.2937 PRESSAVG: 1906600 -76.7542 64.8596 -28.7197 64.8595 -8.20258 -8.3555 -28.7198 -8.35559 51.414 GPRESSAVG: 1906600 -76.7115 65.8487 -27.7437 65.3618 -8.31865 -5.11179 -30.3656 -12.0975 51.3954 TIMING: 1906600 CPU: 5534.03, 0.00289747/step Wall: 5534.03, 0.00289747/step, 2.48973 hours remaining, 207.320312 MB of memory in use. ENERGY: 1906600 751.2335 2098.7314 1974.2618 119.7767 -205975.2219 17810.5745 0.0000 0.0000 34554.9877 -148665.6564 301.7773 -183220.6441 -148564.1891 300.8106 -45.2955 -15.0013 558888.4182 -11.1809 -11.2116 PRESSURE: 1906800 213.439 10.9005 -29.8634 10.9015 21.1068 -5.3303 -29.8645 -5.33117 137.271 GPRESSURE: 1906800 267.375 -4.76854 92.0463 80.6541 32.9545 23.032 -80.5746 -58.0815 151.041 PRESSAVG: 1906800 -0.356335 82.0609 -31.0686 82.0609 18.3208 9.23796 -31.0686 9.23789 4.87448 GPRESSAVG: 1906800 0.317768 80.6885 -33.8448 81.5934 18.3082 9.32521 -28.2411 11.7435 4.65172 TIMING: 1906800 CPU: 5534.61, 0.00288259/step Wall: 5534.61, 0.00288259/step, 2.47679 hours remaining, 207.320312 MB of memory in use. ENERGY: 1906800 763.4920 2102.8505 1954.1953 115.1272 -206044.0485 17886.6865 0.0000 0.0000 34392.2905 -148829.4064 300.3564 -183221.6969 -148727.6747 300.3736 123.9386 150.4571 556372.6646 7.6130 7.7592 PRESSURE: 1907000 -34.1966 120.624 13.1525 120.623 -53.793 96.0977 13.1526 96.0968 64.5929 GPRESSURE: 1907000 -4.58595 82.8853 -27.6962 176.088 -11.5149 17.3982 128.571 182.058 89.1678 PRESSAVG: 1907000 61.3341 32.6459 11.4649 32.6459 -58.9685 47.0606 11.465 47.0606 -7.02561 GPRESSAVG: 1907000 61.6767 35.4469 11.9541 31.8265 -59.2032 45.9997 10.5752 47.2103 -6.76465 TIMING: 1907000 CPU: 5535.19, 0.00289945/step Wall: 5535.19, 0.00289945/step, 2.49111 hours remaining, 207.320312 MB of memory in use. ENERGY: 1907000 752.3017 2128.1138 1963.7949 121.0310 -206103.2241 17896.4773 0.0000 0.0000 34453.7400 -148787.7653 300.8931 -183241.5053 -148693.3262 299.4160 -7.7989 24.3557 557005.7963 -1.5534 -1.4304 PRESSURE: 1907200 46.7225 -37.9174 27.5409 -37.9158 -27.2839 -37.464 27.5401 -37.4634 -9.59628 GPRESSURE: 1907200 66.5948 -42.1371 115.286 11.6186 16.2681 -48.6225 -13.0684 -38.7115 27.8077 PRESSAVG: 1907200 85.0563 -4.8826 -13.0774 -4.88261 -15.3427 47.4358 -13.0773 47.4358 -44.8851 GPRESSAVG: 1907200 84.4616 -7.05419 -13.061 -5.51832 -15.435 49.0022 -11.3445 45.608 -44.3143 TIMING: 1907200 CPU: 5535.77, 0.00288705/step Wall: 5535.77, 0.00288705/step, 2.48029 hours remaining, 207.320312 MB of memory in use. ENERGY: 1907200 728.5840 2126.9449 1986.3302 136.4825 -206067.7045 17819.2996 0.0000 0.0000 34399.6952 -148870.3681 300.4211 -183270.0633 -148772.2200 299.8752 3.2808 36.8902 557947.7295 8.2762 8.2374 PRESSURE: 1907400 -4.39185 194.502 -26.9392 194.504 227.428 11.0889 -26.9394 11.0885 -35.0836 GPRESSURE: 1907400 48.0055 155.235 -5.47651 161.627 319.241 69.1855 -56.5956 32.8913 -89.678 PRESSAVG: 1907400 38.8788 46.8113 27.3903 46.8113 13.694 -21.2307 27.3903 -21.2308 -72.8743 GPRESSAVG: 1907400 39.0117 47.2251 26.6222 47.6923 13.8446 -22.1721 27.5396 -20.9604 -73.7683 TIMING: 1907400 CPU: 5536.35, 0.00290976/step Wall: 5536.35, 0.00290976/step, 2.49965 hours remaining, 207.320312 MB of memory in use. ENERGY: 1907400 748.2211 2090.3160 1962.6269 123.2467 -206368.6911 17938.6794 0.0000 0.0000 34409.0339 -149096.5671 300.5027 -183505.6010 -149001.8680 300.0149 62.6509 92.5229 557225.0379 -6.7672 -6.9707 PRESSURE: 1907600 -235.877 -30.3914 -92.99 -30.3899 -318.339 -30.01 -92.9903 -30.0099 21.0421 GPRESSURE: 1907600 -192.27 -83.9135 -111.374 -10.9174 -331.376 -49.1584 -70.523 -30.8088 86.6654 PRESSAVG: 1907600 -6.47373 -31.0752 -1.48126 -31.0753 15.4716 14.2538 -1.4813 14.2539 -23.309 GPRESSAVG: 1907600 -6.5132 -30.3096 -0.0762896 -30.1372 15.5063 14.5969 -4.44929 12.6386 -23.0846 TIMING: 1907600 CPU: 5536.93, 0.00292409/step Wall: 5536.93, 0.00292409/step, 2.51179 hours remaining, 207.320312 MB of memory in use. ENERGY: 1907600 790.9987 2113.0894 1979.3528 115.9794 -206073.1313 17673.8257 0.0000 0.0000 34369.1650 -149030.7204 300.1545 -183399.8853 -148937.3775 299.7036 -177.7246 -145.6602 557269.1805 -4.7704 -4.6971 PRESSURE: 1907800 206.649 -105.943 67.9398 -105.943 15.0011 -36.5535 67.9401 -36.5537 -50.0252 GPRESSURE: 1907800 252.763 2.34385 41.6774 -21.9649 35.1927 -75.5794 91.1995 13.5218 -27.8434 PRESSAVG: 1907800 -8.75558 -42.6333 -38.5584 -42.6334 -5.54633 -46.3193 -38.5585 -46.3193 25.6087 GPRESSAVG: 1907800 -9.54836 -43.5622 -37.6761 -42.8006 -5.17672 -48.9414 -36.078 -42.1279 26.1767 TIMING: 1907800 CPU: 5537.51, 0.00290856/step Wall: 5537.51, 0.00290856/step, 2.49829 hours remaining, 207.320312 MB of memory in use. ENERGY: 1907800 742.5704 2072.6693 1970.0924 115.9170 -206073.7923 17833.8574 0.0000 0.0000 34301.3517 -149037.3342 299.5622 -183338.6859 -148943.0391 299.4189 57.2084 86.7040 557552.0864 3.7689 3.8172 PRESSURE: 1908000 101.123 24.2079 -205.651 24.2073 -35.1125 30.4408 -205.651 30.4419 44.5531 GPRESSURE: 1908000 139.25 126.34 -135.277 -40.6912 33.021 46.6529 -283.85 56.8502 18.6198 PRESSAVG: 1908000 20.1704 41.7995 -28.8351 41.7995 -17.642 -31.7139 -28.8351 -31.714 -12.5716 GPRESSAVG: 1908000 21.0383 43.5142 -31.1916 40.6033 -17.7539 -32.6783 -27.7586 -34.8372 -13.2764 TIMING: 1908000 CPU: 5538.1, 0.00290461/step Wall: 5538.1, 0.00290461/step, 2.49474 hours remaining, 207.320312 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: 1908000 753.6642 2068.8053 1958.6451 122.4150 -205926.5181 17680.0075 0.0000 0.0000 34430.2434 -148912.7376 300.6879 -183342.9810 -148819.6612 299.7570 36.8544 63.6302 556809.8060 -3.3477 -3.3307 PRESSURE: 1908200 287.391 6.30517 30.81 6.30566 239.504 46.8161 30.8106 46.816 255.792 GPRESSURE: 1908200 249.326 -23.361 -16.4225 18.0495 265.749 134.396 102.229 22.3207 355.211 PRESSAVG: 1908200 24.5631 5.69193 17.7753 5.69203 -44.9086 -30.613 17.7752 -30.6129 14.9531 GPRESSAVG: 1908200 22.7277 3.57394 19.3605 9.43778 -43.6159 -29.8111 16.0601 -29.1528 15.4534 TIMING: 1908200 CPU: 5538.67, 0.00288548/step Wall: 5538.67, 0.00288548/step, 2.47814 hours remaining, 207.320312 MB of memory in use. ENERGY: 1908200 742.0074 2119.7125 1983.0771 117.3516 -205961.6663 18019.3450 0.0000 0.0000 33944.0400 -149036.1327 296.4417 -182980.1727 -148941.6455 299.5453 260.8958 290.0951 557545.0146 -1.7975 -1.8116 LDB: ============= START OF LOAD BALANCING ============== 5542.14 LDB: ============== END OF LOAD BALANCING =============== 5542.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5542.14 LDB: ============= START OF LOAD BALANCING ============== 5542.43 LDB: Largest compute 4820 load 0.029134 is 24.8% of average load 0.117653 LDB: Average compute 0.001713 is 1.5% of average load 0.117653 LDB: TIME 5542.43 LOAD: AVG 0.117653 MAX 0.180717 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 5542.43 LOAD: AVG 0.117653 MAX 0.180717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 5542.43 LOAD: AVG 0.117653 MAX 0.180717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: ============== END OF LOAD BALANCING =============== 5542.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5542.44 PRESSURE: 1908400 102.513 -18.1043 35.1914 -18.1037 -60.8675 -117.788 35.1921 -117.788 76.6188 GPRESSURE: 1908400 110.56 -15.1068 30.3188 -32.4193 19.0055 -129.879 -20.441 -201.061 72.5007 PRESSAVG: 1908400 50.4374 -10.6569 -53.3305 -10.6568 -35.0171 -16.7509 -53.3304 -16.7508 -33.6939 GPRESSAVG: 1908400 52.9541 -11.0912 -53.5172 -12.715 -36.2598 -16.8346 -54.7473 -17.3862 -34.9507 TIMING: 1908400 CPU: 5539.26, 0.00296124/step Wall: 5539.26, 0.00296124/step, 2.54304 hours remaining, 205.105469 MB of memory in use. ENERGY: 1908400 744.6997 2093.1836 1971.4367 110.0545 -206033.8807 17863.9411 0.0000 0.0000 34295.8860 -148954.6790 299.5145 -183250.5650 -148854.8258 298.9840 39.4214 67.3552 557322.9984 -6.0912 -6.0855 PRESSURE: 1908600 -148.626 -21.0262 -19.2483 -21.0259 32.0836 189.067 -19.2481 189.067 166.208 GPRESSURE: 1908600 -176.636 -18.0244 -19.2444 -43.3902 121.545 191.657 62.2121 187.115 201.64 PRESSAVG: 1908600 -22.2231 6.86948 20.8309 6.86957 -3.61829 11.3366 20.8309 11.3367 -30.2343 GPRESSAVG: 1908600 -23.4248 6.46992 19.8741 5.40178 -2.58233 11.0473 22.4399 13.1425 -29.3967 TIMING: 1908600 CPU: 5539.85, 0.00290463/step Wall: 5539.85, 0.00290463/step, 2.49427 hours remaining, 205.308594 MB of memory in use. ENERGY: 1908600 758.4577 2080.8956 2004.4248 120.4593 -206580.7273 18103.8754 0.0000 0.0000 34260.3288 -149252.2856 299.2040 -183512.6144 -149158.0646 299.1757 16.5551 48.8496 558709.5407 -18.6919 -18.4679 PRESSURE: 1908800 -118.81 75.1739 -139.571 75.1756 -174.099 57.2325 -139.571 57.2316 366.269 GPRESSURE: 1908800 -91.7388 36.2571 -13.7384 83.6213 -215.259 76.4336 -117.15 86.5768 469.71 PRESSAVG: 1908800 -24.7769 -14.9205 -0.348647 -14.9205 -52.152 -19.6085 -0.348612 -19.6084 82.7149 GPRESSAVG: 1908800 -24.7975 -14.3618 0.424775 -15.262 -52.6686 -18.4336 -1.11614 -21.3005 83.13 TIMING: 1908800 CPU: 5540.42, 0.00289049/step Wall: 5540.42, 0.00289049/step, 2.48196 hours remaining, 205.308594 MB of memory in use. ENERGY: 1908800 773.5723 2159.8644 1954.4979 125.3159 -206221.9305 17758.6398 0.0000 0.0000 34334.4391 -149115.6011 299.8512 -183450.0402 -149017.6906 299.5588 24.4532 54.2375 557279.1041 1.9287 1.8880 PRESSURE: 1909000 83.0561 -129.451 -216.654 -129.452 165.016 -5.93452 -216.654 -5.93489 250.8 GPRESSURE: 1909000 150.688 -47.1307 -266.411 -110.642 202.194 13.274 -227.958 1.28007 244.715 PRESSAVG: 1909000 12.7548 -64.0703 -14.1125 -64.0704 -72.9266 -9.00181 -14.1125 -9.00179 67.4981 GPRESSAVG: 1909000 14.4052 -63.9279 -13.6851 -62.0831 -73.0661 -9.60323 -15.907 -7.67725 66.2455 TIMING: 1909000 CPU: 5541.01, 0.00291551/step Wall: 5541.01, 0.00291551/step, 2.50329 hours remaining, 205.308594 MB of memory in use. ENERGY: 1909000 739.5423 2095.8242 1955.3323 110.8392 -206556.5171 18073.2554 0.0000 0.0000 34262.9368 -149318.7868 299.2267 -183581.7237 -149224.2274 299.3578 166.2908 199.1990 555661.7702 2.4421 2.5282 PRESSURE: 1909200 -297.484 46.5501 128.948 46.5508 -346.341 -109.11 128.948 -109.109 -147.985 GPRESSURE: 1909200 -240.956 52.5282 77.9451 -85.7876 -364.761 -143.35 73.0654 -10.2728 -93.0703 PRESSAVG: 1909200 -20.5635 -16.4895 -46.1392 -16.4895 22.778 -11.522 -46.1392 -11.5221 1.37455 GPRESSAVG: 1909200 -21.382 -16.6892 -46.6718 -19.5774 23.1608 -9.52188 -44.2149 -13.3847 2.03699 TIMING: 1909200 CPU: 5541.59, 0.00291507/step Wall: 5541.59, 0.00291507/step, 2.50275 hours remaining, 205.308594 MB of memory in use. ENERGY: 1909200 749.6167 2117.8774 1951.8422 107.3908 -205658.0090 17310.4038 0.0000 0.0000 34024.1165 -149396.7616 297.1411 -183420.8781 -149294.2330 299.1978 -263.9365 -232.9289 557625.7028 1.1963 1.2719 PRESSURE: 1909400 -55.3303 35.6494 -25.1387 35.6489 -43.6178 -84.4418 -25.1383 -84.4419 -255.146 GPRESSURE: 1909400 -89.3966 27.1618 -125.658 20.9722 0.389864 -49.706 12.4204 -79.349 -163.198 PRESSAVG: 1909400 -28.0393 37.3592 -63.7606 37.3592 90.836 1.05382 -63.7605 1.0538 -16.48 GPRESSAVG: 1909400 -28.0164 37.9915 -65.2378 39.0705 91.1789 0.829312 -61.3392 2.92832 -16.7787 TIMING: 1909400 CPU: 5542.17, 0.00291769/step Wall: 5542.17, 0.00291769/step, 2.50484 hours remaining, 205.308594 MB of memory in use. ENERGY: 1909400 776.6749 2128.1675 1947.7345 116.8459 -206293.3563 17644.8534 0.0000 0.0000 34281.1280 -149397.9521 299.3856 -183679.0801 -149301.0902 298.7054 -118.0315 -84.0684 556467.6773 15.4389 15.4612 PRESSURE: 1909600 71.8393 35.1336 129.386 35.1336 39.614 -264.577 129.388 -264.575 -77.582 GPRESSURE: 1909600 91.2432 20.7718 116.717 19.1473 98.2468 -282.831 122.623 -214.65 -53.382 PRESSAVG: 1909600 6.90038 -1.44376 45.9172 -1.44381 33.6261 -54.3597 45.9172 -54.3595 -25.2489 GPRESSAVG: 1909600 8.11787 -1.72973 46.8124 -0.282196 32.3504 -54.9941 43.223 -56.2805 -24.4953 TIMING: 1909600 CPU: 5542.76, 0.00291665/step Wall: 5542.76, 0.00291665/step, 2.50379 hours remaining, 205.511719 MB of memory in use. ENERGY: 1909600 783.4307 2094.9373 1943.0259 113.7697 -206125.4424 17876.2360 0.0000 0.0000 33875.2488 -149438.7940 295.8410 -183314.0428 -149336.1809 298.9929 11.2904 45.3693 556675.1973 5.0925 5.3243 PRESSURE: 1909800 102.081 103.174 198.7 103.173 10.0616 -37.5769 198.699 -37.5765 1.59713 GPRESSURE: 1909800 154.953 107.624 174.933 111.49 51.4563 -124.154 212.268 9.57073 15.6659 PRESSAVG: 1909800 -5.10271 35.5539 62.85 35.554 3.14565 -43.5922 62.8501 -43.5922 12.5234 GPRESSAVG: 1909800 -6.06414 33.6568 63.6275 35.9888 4.64598 -45.5088 62.8379 -41.2385 12.4865 TIMING: 1909800 CPU: 5543.33, 0.00288287/step Wall: 5543.33, 0.00288287/step, 2.47463 hours remaining, 205.511719 MB of memory in use. ENERGY: 1909800 714.3424 2108.6755 1958.5515 113.6560 -206571.7858 17941.1238 0.0000 0.0000 34271.5340 -149463.9027 299.3018 -183735.4366 -149369.7007 298.6312 37.9133 74.0250 557925.1557 3.5221 3.6894 PRESSURE: 1910000 39.3972 -18.6293 109.931 -18.6298 -16.6121 -85.3069 109.932 -85.3083 120.586 GPRESSURE: 1910000 -1.15978 -23.2283 43.4214 -89.1309 102.491 16.2702 159.164 -28.4922 139.122 PRESSAVG: 1910000 -52.5981 -1.9399 59.5651 -1.93983 11.3963 37.1531 59.5651 37.1532 19.4221 GPRESSAVG: 1910000 -52.1133 -1.59805 58.1147 -2.53982 11.2325 37.8556 60.7088 37.8729 19.0413 TIMING: 1910000 CPU: 5543.91, 0.00288326/step Wall: 5543.91, 0.00288326/step, 2.4748 hours remaining, 205.636719 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: 1910000 751.3458 2026.7026 1994.2089 133.6640 -206724.7779 18041.0931 0.0000 0.0000 34274.9094 -149502.8540 299.3313 -183777.7634 -149403.1001 298.3275 47.7902 80.1511 556145.5099 -7.2599 -7.2798 PRESSURE: 1910200 -43.842 -76.5502 -153.272 -76.55 -85.887 -25.0564 -153.272 -25.0588 117.236 GPRESSURE: 1910200 -29.1618 -122.319 -95.7899 -120.855 -48.8788 7.11022 -146.772 -50.6156 158.821 PRESSAVG: 1910200 -4.8679 -37.7334 -32.8826 -37.7333 32.3259 5.0644 -32.8826 5.06424 -4.37046 GPRESSAVG: 1910200 -4.17601 -35.3006 -31.3115 -39.6978 31.0831 6.11551 -35.0501 3.84501 -3.00933 TIMING: 1910200 CPU: 5544.48, 0.00287382/step Wall: 5544.48, 0.00287382/step, 2.46654 hours remaining, 205.636719 MB of memory in use. ENERGY: 1910200 774.8192 2059.4525 1962.8157 120.6609 -206571.5302 17811.1884 0.0000 0.0000 34253.4268 -149589.1669 299.1437 -183842.5936 -149484.8123 298.9683 -4.1645 26.9268 556522.2346 7.6958 7.9659 PRESSURE: 1910400 -20.3557 9.76229 57.2982 9.76181 151.48 48.2039 57.2988 48.203 353.441 GPRESSURE: 1910400 -4.78395 7.17274 51.8372 38.4943 149.235 14.0832 83.1009 107.544 435.338 PRESSAVG: 1910400 -30.4487 -46.8857 -5.61537 -46.8857 13.5418 2.62463 -5.61531 2.62463 21.4891 GPRESSAVG: 1910400 -30.9779 -46.7984 -6.7192 -44.3288 13.6162 2.21456 -3.0094 1.11736 22.1065 TIMING: 1910400 CPU: 5545.06, 0.00285706/step Wall: 5545.06, 0.00285706/step, 2.45199 hours remaining, 205.636719 MB of memory in use. ENERGY: 1910400 741.3734 2097.0315 1958.0756 104.5582 -206914.1487 18103.7040 0.0000 0.0000 34022.0288 -149887.3771 297.1228 -183909.4059 -149796.8654 298.0114 161.5216 193.2630 556411.0301 1.5274 1.5816 PRESSURE: 1910600 -148.868 -92.2194 -20.9368 -92.22 152.953 135.041 -20.938 135.041 -36.4386 GPRESSURE: 1910600 -130.954 -84.2098 -38.3415 -65.9287 188.622 283.247 61.624 44.9543 8.74777 PRESSAVG: 1910600 -15.4779 29.7007 80.3366 29.7007 -26.37 -51.2543 80.3368 -51.2542 63.1211 GPRESSAVG: 1910600 -15.8181 30.3248 80.4466 28.9069 -25.1403 -51.0125 77.8418 -49.9788 62.0034 TIMING: 1910600 CPU: 5545.63, 0.00287052/step Wall: 5545.63, 0.00287052/step, 2.46338 hours remaining, 205.636719 MB of memory in use. ENERGY: 1910600 765.1909 2045.5909 1968.7706 99.3387 -206916.3030 18066.9677 0.0000 0.0000 34151.2931 -149819.1510 298.2517 -183970.4441 -149722.7444 297.0441 -10.7844 22.1385 556846.0761 7.0910 7.0150 PRESSURE: 1910800 86.7394 -17.8466 141.475 -17.8453 -73.9624 24.339 141.474 24.3398 327.732 GPRESSURE: 1910800 151.454 7.94415 186.667 -50.4506 -77.3055 -6.16248 112.253 -46.3067 356.699 PRESSAVG: 1910800 -61.6747 25.2944 29.9735 25.2943 53.727 78.9672 29.9735 78.9671 49.1642 GPRESSAVG: 1910800 -61.4782 23.7337 28.3783 26.6364 54.1237 78.6636 32.3919 79.3008 49.3119 TIMING: 1910800 CPU: 5546.21, 0.00289096/step Wall: 5546.21, 0.00289096/step, 2.48076 hours remaining, 205.636719 MB of memory in use. ENERGY: 1910800 744.9904 2122.8432 1965.2314 114.4701 -206930.6917 18182.5054 0.0000 0.0000 33954.0358 -149846.6153 296.5290 -183800.6511 -149748.5909 297.1633 113.5029 143.6157 558016.0992 13.7388 13.9858 PRESSURE: 1911000 68.4749 19.6212 11.2091 19.6219 41.0029 -133.744 11.2071 -133.742 461.683 GPRESSURE: 1911000 111.53 102.693 -9.78993 22.6365 73.6371 -35.2841 115.049 -227.882 477.076 PRESSAVG: 1911000 -21.13 -30.1193 43.7322 -30.1192 -11.1669 -29.6361 43.7322 -29.6359 20.2128 GPRESSAVG: 1911000 -21.4603 -29.2547 44.6117 -31.3888 -11.6273 -28.9455 42.405 -32.0256 20.7303 TIMING: 1911000 CPU: 5546.79, 0.00289919/step Wall: 5546.79, 0.00289919/step, 2.48766 hours remaining, 205.636719 MB of memory in use. ENERGY: 1911000 739.2402 2107.9840 1954.6705 103.3550 -207283.9818 18400.0442 0.0000 0.0000 34283.7055 -149694.9823 299.4081 -183978.6878 -149598.0500 297.2951 190.3868 220.7477 558577.3734 -4.0280 -4.1191 PRESSURE: 1911200 27.4812 128.091 -135.728 128.091 -152.913 -49.2991 -135.729 -49.2975 13.2213 GPRESSURE: 1911200 71.1565 62.7496 -162.604 239.485 -150.84 -33.3422 -91.1434 -8.82099 63.3119 PRESSAVG: 1911200 -98.49 4.58664 29.3891 4.58665 12.0059 -35.8966 29.3892 -35.8966 99.881 GPRESSAVG: 1911200 -98.913 2.43942 29.982 4.7751 12.3098 -36.954 30.7344 -33.958 99.6916 TIMING: 1911200 CPU: 5547.37, 0.00289596/step Wall: 5547.37, 0.00289596/step, 2.48473 hours remaining, 205.636719 MB of memory in use. ENERGY: 1911200 733.5900 2152.6323 1951.7054 116.3500 -206818.4722 17961.2487 0.0000 0.0000 34237.4720 -149665.4737 299.0044 -183902.9458 -149562.7523 297.6742 -37.4034 -5.4573 557815.1868 4.4656 4.3628 PRESSURE: 1911400 -51.4493 -20.398 9.80926 -20.3979 -173.784 -0.881725 9.8101 -0.880781 -247.428 GPRESSURE: 1911400 -32.4214 -102.306 44.7751 46.894 -118.546 -27.862 41.7021 -78.7426 -232.353 PRESSAVG: 1911400 -15.8664 6.5546 9.26543 6.55463 0.302281 -8.05205 9.26529 -8.0521 28.6739 GPRESSAVG: 1911400 -16.1101 7.8396 9.16951 7.29469 0.147979 -8.43075 6.28468 -9.24341 29.0638 TIMING: 1911400 CPU: 5547.95, 0.00290611/step Wall: 5547.95, 0.00290611/step, 2.49328 hours remaining, 205.636719 MB of memory in use. ENERGY: 1911400 751.5139 2120.8208 1955.0761 102.7115 -206259.8121 17671.7190 0.0000 0.0000 34000.5816 -149657.3893 296.9355 -183657.9708 -149559.8829 298.2015 -157.5539 -127.7734 557446.9382 4.3699 4.3672 PRESSURE: 1911600 -93.6813 -46.5631 93.4235 -46.5636 -151.072 6.98931 93.4235 6.98878 -44.062 GPRESSURE: 1911600 -42.7247 -52.0156 119.861 -91.6952 -149.162 4.53979 126.912 -28.554 0.5827 PRESSAVG: 1911600 51.3834 -31.3002 -33.9662 -31.3003 -5.00752 13.6654 -33.9662 13.6653 -45.7354 GPRESSAVG: 1911600 51.5021 -31.9897 -33.382 -32.5943 -4.06584 13.7681 -33.4505 15.344 -46.1065 TIMING: 1911600 CPU: 5548.53, 0.00288638/step Wall: 5548.53, 0.00288638/step, 2.47619 hours remaining, 205.636719 MB of memory in use. ENERGY: 1911600 767.0135 2099.8137 1974.3459 127.0641 -206236.5454 17606.2319 0.0000 0.0000 34160.1049 -149501.9713 298.3287 -183662.0762 -149400.9679 298.2974 -96.2719 -63.7680 557442.1574 0.2135 0.4432 PRESSURE: 1911800 34.2792 -62.0916 -141.922 -62.0899 -149.539 23.2852 -141.921 23.2863 -0.791116 GPRESSURE: 1911800 60.1615 -15.5259 -174.178 -91.9707 -146.759 -67.2301 -125.714 57.0382 52.9954 PRESSAVG: 1911800 50.8998 -91.8252 55.3969 -91.8252 -17.4969 -40.5721 55.397 -40.572 -27.7402 GPRESSAVG: 1911800 51.6876 -91.7606 54.7782 -92.7985 -18.5338 -39.9948 55.943 -40.3297 -27.5505 TIMING: 1911800 CPU: 5549.11, 0.00290177/step Wall: 5549.11, 0.00290177/step, 2.48923 hours remaining, 205.636719 MB of memory in use. ENERGY: 1911800 774.1334 2104.4103 1951.4562 109.1053 -205977.4975 17618.9712 0.0000 0.0000 33888.3532 -149531.0679 295.9554 -183419.4211 -149433.8564 297.8596 -38.6837 -11.2008 557738.0520 1.8876 1.8678 PRESSURE: 1912000 14.4813 -170.548 -116.199 -170.547 279.062 -107.58 -116.198 -107.579 -2.74794 GPRESSURE: 1912000 55.9493 -206.462 -33.2289 -62.9372 317.54 -118.412 -5.42305 -158.179 23.4153 PRESSAVG: 1912000 11.5257 -68.033 -43.924 -68.033 40.5319 -29.7789 -43.9241 -29.7787 -14.7301 GPRESSAVG: 1912000 11.8594 -67.3931 -44.6009 -66.4381 41.2781 -30.8207 -41.0184 -29.8654 -16.0622 TIMING: 1912000 CPU: 5549.68, 0.00288463/step Wall: 5549.68, 0.00288463/step, 2.47437 hours remaining, 205.636719 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: 1912000 740.1694 2077.5147 1978.3648 105.6557 -206537.7947 17920.5188 0.0000 0.0000 34209.1441 -149506.4273 298.7570 -183715.5714 -149412.4348 297.5146 96.9320 132.3016 556141.5346 12.4425 12.3584 PRESSURE: 1912200 50.5539 -9.11061 60.1785 -9.11001 -32.1825 101.344 60.178 101.342 168.782 GPRESSURE: 1912200 70.9837 -9.79027 70.0785 -82.9998 47.5217 73.4316 69.6216 21.6833 174.103 PRESSAVG: 1912200 -102.94 9.28425 39.3494 9.28422 99.3004 -21.4281 39.3495 -21.4281 -16.5211 GPRESSAVG: 1912200 -104.98 10.6617 40.4848 9.76038 100.373 -21.1263 35.6955 -22.2993 -14.7076 TIMING: 1912200 CPU: 5550.26, 0.00289389/step Wall: 5550.26, 0.00289389/step, 2.48215 hours remaining, 205.636719 MB of memory in use. ENERGY: 1912200 721.7054 2111.4828 1927.7290 109.1981 -206333.9781 17911.7824 0.0000 0.0000 34055.2487 -149496.8317 297.4130 -183552.0804 -149399.6422 298.1222 62.3845 97.5361 555713.6024 -6.7201 -6.4382 LDB: ============= START OF LOAD BALANCING ============== 5553.73 LDB: ============== END OF LOAD BALANCING =============== 5553.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5553.73 LDB: ============= START OF LOAD BALANCING ============== 5554.02 LDB: Largest compute 4820 load 0.028343 is 24.1% of average load 0.117766 LDB: Average compute 0.001714 is 1.5% of average load 0.117766 LDB: TIME 5554.02 LOAD: AVG 0.117766 MAX 0.177893 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 5554.02 LOAD: AVG 0.117766 MAX 0.177893 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 5554.02 LOAD: AVG 0.117766 MAX 0.177893 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 5554.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5554.03 PRESSURE: 1912400 -180.391 212.269 68.583 212.269 13.9191 -58.3284 68.582 -58.3296 207.594 GPRESSURE: 1912400 -104.15 276.044 44.2971 194.728 15.2183 -52.7304 98.8833 -129.639 222.139 PRESSAVG: 1912400 -22.7806 16.8342 31.288 16.8342 34.4778 7.59089 31.2879 7.59078 -14.5969 GPRESSAVG: 1912400 -22.0435 16.1784 30.1615 13.4595 33.5022 7.77829 33.4893 7.18247 -14.658 TIMING: 1912400 CPU: 5550.85, 0.00294713/step Wall: 5550.85, 0.00294713/step, 2.52765 hours remaining, 207.085938 MB of memory in use. ENERGY: 1912400 732.1401 2117.0849 1967.0285 115.2054 -206444.5765 17744.1324 0.0000 0.0000 34280.1971 -149488.7882 299.3775 -183768.9853 -149396.7920 298.7756 13.7072 44.4023 555531.4626 -0.9666 -1.0664 PRESSURE: 1912600 -297.287 174.053 50.1291 174.053 -243.288 239.853 50.129 239.854 -229.18 GPRESSURE: 1912600 -226.588 82.0424 -5.21978 118.89 -194.061 194.872 54.345 221.033 -249.283 PRESSAVG: 1912600 30.7608 -7.93719 -20.496 -7.93718 -15.3956 -51.0694 -20.496 -51.0694 -44.0676 GPRESSAVG: 1912600 30.3342 -8.56472 -19.2569 -6.48706 -14.9826 -50.3095 -22.1079 -49.7897 -43.3527 TIMING: 1912600 CPU: 5551.43, 0.0028857/step Wall: 5551.43, 0.0028857/step, 2.47481 hours remaining, 207.156250 MB of memory in use. ENERGY: 1912600 748.6720 2122.3505 1950.4934 102.3847 -205567.4071 17287.5802 0.0000 0.0000 34125.5348 -149230.3915 298.0268 -183355.9264 -149132.4508 298.8593 -256.5849 -223.3107 557697.4085 -9.5675 -9.3337 PRESSURE: 1912800 -133.061 -121.199 83.9146 -121.199 151.742 18.668 83.9148 18.6684 165.968 GPRESSURE: 1912800 -59.4423 -200.588 46.1893 -34.8393 123.556 92.6521 80.4763 6.65267 228.415 PRESSAVG: 1912800 -51.0032 32.9179 21.8801 32.9179 21.9691 -4.20922 21.8802 -4.20922 33.2223 GPRESSAVG: 1912800 -50.0464 34.2248 22.3652 32.6628 21.6897 -4.44238 21.9291 -6.19686 32.158 TIMING: 1912800 CPU: 5552.01, 0.00291666/step Wall: 5552.01, 0.00291666/step, 2.5012 hours remaining, 207.156250 MB of memory in use. ENERGY: 1912800 717.4368 2067.7523 1959.7791 119.7008 -206299.8198 17891.7602 0.0000 0.0000 34329.7039 -149213.6867 299.8098 -183543.3906 -149116.9355 299.7850 61.5494 97.5095 555819.1620 1.3961 1.2671 PRESSURE: 1913000 30.9117 215.223 -171.452 215.222 -104.482 -81.7684 -171.451 -81.7696 -95.537 GPRESSURE: 1913000 63.0601 255.426 -160.684 213.198 -33.3562 -139.467 -208.365 -25.211 -103.624 PRESSAVG: 1913000 23.2365 -47.7891 -8.88385 -47.7892 59.3663 11.202 -8.88379 11.202 -47.6037 GPRESSAVG: 1913000 23.3562 -47.9229 -9.89782 -46.615 58.7845 9.94256 -9.18612 12.1837 -47.2231 TIMING: 1913000 CPU: 5552.59, 0.00287828/step Wall: 5552.59, 0.00287828/step, 2.46812 hours remaining, 207.449219 MB of memory in use. ENERGY: 1913000 729.9893 2057.9584 1935.0423 104.2328 -206033.5306 17673.5726 0.0000 0.0000 34267.8116 -149264.9235 299.2693 -183532.7352 -149168.4896 298.8034 -56.3690 -24.6400 557424.2760 11.6664 11.6392 PRESSURE: 1913200 -208.434 -31.1298 -114.488 -31.131 -24.8584 135.984 -114.487 135.985 316.281 GPRESSURE: 1913200 -173.455 -15.9545 -5.70786 -73.2289 -8.86402 145.65 -178.364 94.0882 361.339 PRESSAVG: 1913200 -51.6287 25.0874 -3.61533 25.0873 -32.5906 -2.6706 -3.61535 -2.67067 50.0817 GPRESSAVG: 1913200 -52.2207 21.7059 -3.42829 26.9691 -32.3091 -1.92803 -2.64027 -3.73358 50.9153 TIMING: 1913200 CPU: 5553.16, 0.00288101/step Wall: 5553.16, 0.00288101/step, 2.47031 hours remaining, 207.449219 MB of memory in use. ENERGY: 1913200 741.9342 2113.1431 1950.6641 108.1055 -206255.3679 17814.9504 0.0000 0.0000 34331.5677 -149195.0028 299.8261 -183526.5706 -149098.1027 298.8317 27.6630 59.6731 557168.2726 -11.3792 -11.2048 PRESSURE: 1913400 -42.4781 -46.3494 -156.477 -46.3496 -30.0094 -84.2986 -156.477 -84.3004 346.082 GPRESSURE: 1913400 18.4521 -27.2628 -121.567 -24.3473 -23.643 -40.6291 -161.691 -106.03 383.742 PRESSAVG: 1913400 -58.3184 5.70715 -57.194 5.70717 -26.2331 -1.49111 -57.194 -1.49112 72.5907 GPRESSAVG: 1913400 -56.6477 10.404 -58.0615 2.17239 -25.98 -2.18604 -57.6379 -0.910235 70.5888 TIMING: 1913400 CPU: 5553.74, 0.00286668/step Wall: 5553.74, 0.00286668/step, 2.45786 hours remaining, 207.648438 MB of memory in use. ENERGY: 1913400 759.5638 2096.2888 1967.2198 123.7959 -206487.5960 17979.5204 0.0000 0.0000 34468.7913 -149092.4161 301.0245 -183561.2074 -148995.0389 299.7343 91.1982 126.1836 555135.4628 -3.9869 -4.0130 PRESSURE: 1913600 -321.278 -42.7129 65.8114 -42.7124 -210.832 20.9928 65.8109 20.993 -161.423 GPRESSURE: 1913600 -252.905 -63.7607 89.6535 -4.19544 -162.091 23.0901 69.4413 34.2467 -176.442 PRESSAVG: 1913600 24.8806 -7.63829 11.8931 -7.63833 -19.3303 29.5035 11.8932 29.5036 20.3965 GPRESSAVG: 1913600 22.5122 -8.68016 10.9949 -5.74218 -18.0306 32.1784 13.4912 28.8369 21.6111 TIMING: 1913600 CPU: 5554.31, 0.00288639/step Wall: 5554.31, 0.00288639/step, 2.4746 hours remaining, 207.648438 MB of memory in use. ENERGY: 1913600 745.8752 2069.1514 1977.8384 113.5668 -205873.1163 17544.6556 0.0000 0.0000 34210.6707 -149211.3580 298.7703 -183422.0287 -149104.6121 300.1137 -231.1777 -197.1460 556600.4087 8.6489 8.6976 PRESSURE: 1913800 149.212 -85.0464 47.6201 -85.0466 102.227 -35.6765 47.6221 -35.6773 -261.29 GPRESSURE: 1913800 165.905 -125.159 69.701 -61.3026 137.812 -20.3126 21.9505 35.3913 -215.26 PRESSAVG: 1913800 42.5991 -22.3913 15.0292 -22.3913 -48.9649 -6.00541 15.0292 -6.00532 29.39 GPRESSAVG: 1913800 43.5965 -23.9773 18.1734 -23.5373 -49.5884 -7.05023 13.3264 -4.32921 28.8747 TIMING: 1913800 CPU: 5554.89, 0.00287511/step Wall: 5554.89, 0.00287511/step, 2.46477 hours remaining, 207.648438 MB of memory in use. ENERGY: 1913800 773.0303 2090.0857 1972.3493 111.7807 -205971.2636 17743.1097 0.0000 0.0000 34226.4070 -149054.5009 298.9077 -183280.9079 -148960.6920 299.8446 -3.2836 29.4856 557564.0450 7.6747 7.6276 PRESSURE: 1914000 85.2088 -29.3532 112.061 -29.3523 -139.081 -90.6088 112.062 -90.6092 184.349 GPRESSURE: 1914000 144.025 -45.7559 100.739 33.4119 -102.236 -57.642 59.883 -105.483 198.326 PRESSAVG: 1914000 8.30572 -29.058 4.72799 -29.0582 -36.3968 -1.27521 4.72802 -1.27529 7.60251 GPRESSAVG: 1914000 9.51213 -28.7326 2.85938 -29.0301 -37.398 -1.83658 6.07692 -2.10574 7.48149 TIMING: 1914000 CPU: 5555.47, 0.00288311/step Wall: 5555.47, 0.00288311/step, 2.47146 hours remaining, 207.648438 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: 1914000 773.8711 2110.0656 1962.2350 127.6933 -206226.8001 17986.8086 0.0000 0.0000 34271.8716 -148994.2550 299.3048 -183266.1266 -148900.3357 299.5088 43.4923 80.0383 556274.9123 -6.8295 -6.8015 PRESSURE: 1914200 -343.332 -81.728 38.4378 -81.7273 58.4739 91.7382 38.4365 91.7373 -39.5378 GPRESSURE: 1914200 -296.492 -114.074 40.7309 -121.99 123.888 96.9842 47.6219 130.422 -52.5891 PRESSAVG: 1914200 6.75611 -33.1393 -1.23612 -33.1392 -78.9058 48.3508 -1.23601 48.3508 62.3808 GPRESSAVG: 1914200 6.3565 -34.8195 -0.79117 -32.8257 -79.0496 46.9833 -3.05736 50.9879 63.2318 TIMING: 1914200 CPU: 5556.04, 0.00289334/step Wall: 5556.04, 0.00289334/step, 2.48007 hours remaining, 207.648438 MB of memory in use. ENERGY: 1914200 728.1507 2086.6740 1962.3698 118.3922 -205693.3322 17618.3798 0.0000 0.0000 34076.5066 -149102.8590 297.5986 -183179.3656 -148999.0136 299.4553 -108.1321 -75.0643 559333.8272 -3.2563 -3.1538 PRESSURE: 1914400 226.785 56.7567 -122.791 56.7571 -56.1477 72.5762 -122.789 72.5775 -91.9545 GPRESSURE: 1914400 272.277 39.1544 -90.2377 40.1503 20.1378 96.815 -13.0035 77.7485 -113.925 PRESSAVG: 1914400 -34.5529 -22.5703 58.1005 -22.5703 -26.797 -18.0985 58.1006 -18.0986 18.1397 GPRESSAVG: 1914400 -35.2606 -20.6176 59.1525 -22.2693 -25.3225 -14.9766 59.1615 -19.7885 17.8725 TIMING: 1914400 CPU: 5556.62, 0.00287211/step Wall: 5556.62, 0.00287211/step, 2.46172 hours remaining, 207.648438 MB of memory in use. ENERGY: 1914400 744.1873 2083.3840 1979.1242 109.6580 -206142.1255 17816.7471 0.0000 0.0000 34330.3952 -149078.6295 299.8159 -183409.0248 -148988.0633 298.6421 26.2277 59.4966 557520.6987 -14.4034 -14.2369 PRESSURE: 1914600 390.251 210.09 65.1029 210.089 -57.097 -347.865 65.1038 -347.865 275.691 GPRESSURE: 1914600 399.761 203.381 0.278894 138.328 28.3442 -388.527 102.339 -339.012 281.455 PRESSAVG: 1914600 29.3308 -16.4141 15.5837 -16.4141 -8.33693 10.9526 15.5838 10.9526 -21.8343 GPRESSAVG: 1914600 28.6415 -17.4741 14.4365 -16.6366 -9.17056 10.3872 15.3209 8.82461 -20.8308 TIMING: 1914600 CPU: 5557.2, 0.0028887/step Wall: 5557.2, 0.0028887/step, 2.47578 hours remaining, 207.648438 MB of memory in use. ENERGY: 1914600 743.0469 2061.9368 1956.7448 107.4588 -206608.6338 18178.9804 0.0000 0.0000 34438.5062 -149121.9598 300.7600 -183560.4661 -149021.4586 299.4675 202.9484 236.5200 557314.8078 -0.2802 -0.4533 PRESSURE: 1914800 -79.3626 154.469 98.6958 154.47 -198.52 33.7147 98.6965 33.7167 -132.106 GPRESSURE: 1914800 5.64544 156.213 115.377 141.242 -166.224 54.3346 75.9915 36.8596 -162.726 PRESSAVG: 1914800 40.9793 0.0980854 -18.9212 0.0980843 14.2249 -0.000570963 -18.9211 -0.000475448 -11.097 GPRESSAVG: 1914800 42.0922 0.216062 -17.6829 -1.5868 14.6236 1.36298 -17.8849 1.67831 -12.9657 TIMING: 1914800 CPU: 5557.77, 0.002887/step Wall: 5557.77, 0.002887/step, 2.47416 hours remaining, 207.648438 MB of memory in use. ENERGY: 1914800 753.3128 2093.1434 1963.2881 98.8808 -205637.1131 17453.4863 0.0000 0.0000 34168.3050 -149106.6967 298.4003 -183275.0017 -149010.6410 299.0043 -136.6630 -107.7681 557760.5451 14.7024 14.5834 PRESSURE: 1915000 -275.774 -4.46968 -2.91353 -4.46918 -113.331 174.354 -2.91493 174.355 -190.258 GPRESSURE: 1915000 -258.529 41.7894 -33.2286 -49.3836 -51.1801 139.466 32.7521 117.518 -175.121 PRESSAVG: 1915000 1.82401 -18.0849 20.3739 -18.0848 3.2918 -23.6747 20.374 -23.6747 10.0402 GPRESSAVG: 1915000 1.55628 -18.881 18.1877 -15.6077 2.52115 -23.9441 20.4054 -23.438 10.8 TIMING: 1915000 CPU: 5558.36, 0.00290929/step Wall: 5558.36, 0.00290929/step, 2.4931 hours remaining, 207.648438 MB of memory in use. ENERGY: 1915000 721.3204 2081.4062 1985.5942 93.1420 -206084.0465 17411.2975 0.0000 0.0000 34515.7370 -149275.5492 301.4345 -183791.2862 -149180.2386 299.3033 -193.1207 -161.6102 557370.3460 5.0520 4.9592 PRESSURE: 1915200 -110.116 -61.9605 -122.747 -61.9611 -270.037 10.3412 -122.748 10.3413 49.3041 GPRESSURE: 1915200 -121.49 -65.6722 -178.041 -144.37 -169.14 37.035 -119.34 87.1719 65.9606 PRESSAVG: 1915200 -36.7601 33.8615 -33.7167 33.8616 -82.0047 8.61392 -33.7167 8.61392 84.0521 GPRESSAVG: 1915200 -36.3857 34.0063 -32.6167 34.2033 -81.0341 7.93452 -35.4092 7.92 83.2277 TIMING: 1915200 CPU: 5558.93, 0.00288821/step Wall: 5558.93, 0.00288821/step, 2.47488 hours remaining, 207.648438 MB of memory in use. ENERGY: 1915200 769.6682 2162.2857 1939.9781 130.4676 -206228.8405 17739.6318 0.0000 0.0000 34119.3551 -149367.4541 297.9728 -183486.8092 -149274.0654 298.4788 -110.2829 -74.8896 556796.4087 -11.5709 -11.3974 PRESSURE: 1915400 -143.566 -16.9046 12.6156 -16.9041 -250.37 -180.194 12.6158 -180.194 -172.587 GPRESSURE: 1915400 -154.875 -34.1136 -4.30066 1.27283 -187.869 -141.622 36.4676 -150.24 -134.228 PRESSAVG: 1915400 -19.93 -55.0308 -12.6979 -55.0309 -8.48272 -6.82398 -12.6979 -6.82397 -11.3719 GPRESSAVG: 1915400 -21.1051 -53.948 -14.4885 -56.0874 -8.39921 -9.21397 -9.07202 -5.5126 -10.6051 TIMING: 1915400 CPU: 5559.51, 0.00289148/step Wall: 5559.51, 0.00289148/step, 2.47751 hours remaining, 207.648438 MB of memory in use. ENERGY: 1915400 773.3451 2118.6047 1935.4122 126.1957 -206548.7648 17760.6723 0.0000 0.0000 34239.4439 -149595.0910 299.0216 -183834.5349 -149500.1609 298.6367 -188.8411 -158.9908 556167.2117 -13.2615 -13.3698 PRESSURE: 1915600 -365.143 -9.64115 234.229 -9.64112 -164.714 122.218 234.229 122.218 -21.0718 GPRESSURE: 1915600 -328.838 53.056 169.954 14.543 -75.3196 92.3946 244.196 123.854 -60.5093 PRESSAVG: 1915600 -37.4903 -4.62592 -23.3408 -4.62597 -4.00549 4.13895 -23.3407 4.13898 33.1568 GPRESSAVG: 1915600 -37.3399 -5.58969 -20.9794 -4.5931 -4.37664 5.715 -25.6517 4.20287 33.4863 TIMING: 1915600 CPU: 5560.09, 0.00289958/step Wall: 5560.09, 0.00289958/step, 2.48429 hours remaining, 207.648438 MB of memory in use. ENERGY: 1915600 710.4825 2153.5863 1955.2507 120.5029 -206232.0039 17564.7042 0.0000 0.0000 34108.5151 -149618.9622 297.8781 -183727.4773 -149530.9253 298.1179 -183.6428 -154.8891 558242.9473 -2.7797 -2.7434 PRESSURE: 1915800 4.54809 168.264 14.9168 168.263 233.047 -5.46838 14.9157 -5.4679 236.864 GPRESSURE: 1915800 21.65 206.632 58.7716 141.725 240.746 -58.007 -7.447 43.2121 298.002 PRESSAVG: 1915800 44.9114 39.5448 3.31575 39.5448 2.36399 -36.1421 3.31565 -36.142 -40.1808 GPRESSAVG: 1915800 46.025 39.3228 1.01939 40.4963 2.07726 -37.2666 4.40413 -36.7719 -40.5972 TIMING: 1915800 CPU: 5560.67, 0.00289534/step Wall: 5560.67, 0.00289534/step, 2.4805 hours remaining, 207.648438 MB of memory in use. ENERGY: 1915800 718.2005 2086.2497 1952.8285 102.2572 -206928.9829 18180.3752 0.0000 0.0000 34254.1371 -149634.9345 299.1499 -183889.0717 -149545.4818 298.1684 158.1529 186.7995 556800.0240 2.3649 2.5017 PRESSURE: 1916000 -157.197 -126.406 -2.37709 -126.406 -55.2848 -30.2238 -2.37647 -30.2229 14.8013 GPRESSURE: 1916000 -81.8129 -102.159 53.8377 -178.961 -44.1099 -49.0984 -51.9565 3.24942 19.9776 PRESSAVG: 1916000 36.6918 20.0139 0.848232 20.0138 -16.5182 -6.44587 0.848203 -6.446 4.14959 GPRESSAVG: 1916000 36.2254 23.0738 2.26044 15.6066 -16.3839 -6.59626 0.651868 -5.14955 3.82354 TIMING: 1916000 CPU: 5561.25, 0.00288695/step Wall: 5561.25, 0.00288695/step, 2.47316 hours remaining, 207.648438 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: 1916000 748.7444 2136.2509 1952.0259 112.3851 -206422.5640 17829.1730 0.0000 0.0000 34204.5040 -149439.4807 298.7164 -183643.9848 -149344.5129 298.0900 -65.8933 -35.3151 557422.7748 8.1077 7.8883 PRESSURE: 1916200 113.436 -139.931 43.5558 -139.931 -10.8589 -35.0476 43.556 -35.0476 87.5322 GPRESSURE: 1916200 154.1 -167.281 6.90639 -107.155 36.38 -75.0245 111.385 1.25741 90.5997 PRESSAVG: 1916200 61.2404 -44.5297 -34.0221 -44.5296 -28.0139 31.2939 -34.022 31.294 36.9733 GPRESSAVG: 1916200 61.288 -45.3286 -33.3167 -42.2802 -29.1943 34.1295 -33.7014 30.5307 37.4891 TIMING: 1916200 CPU: 5561.83, 0.00288898/step Wall: 5561.83, 0.00288898/step, 2.47473 hours remaining, 207.648438 MB of memory in use. ENERGY: 1916200 735.6470 2106.7939 1937.7334 108.5659 -206586.7093 17902.6029 0.0000 0.0000 34283.3234 -149512.0428 299.4048 -183795.3662 -149414.5395 298.2656 63.3697 93.6931 556335.0519 23.3999 23.1943 LDB: ============= START OF LOAD BALANCING ============== 5565.29 LDB: ============== END OF LOAD BALANCING =============== 5565.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5565.29 LDB: ============= START OF LOAD BALANCING ============== 5565.59 LDB: Largest compute 4821 load 0.028368 is 24.1% of average load 0.117793 LDB: Average compute 0.001722 is 1.5% of average load 0.117793 LDB: TIME 5565.59 LOAD: AVG 0.117793 MAX 0.176162 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.035 MB LDB: TIME 5565.59 LOAD: AVG 0.117793 MAX 0.176162 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.09 MB LDB: TIME 5565.59 LOAD: AVG 0.117793 MAX 0.176162 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.09 MB LDB: ============== END OF LOAD BALANCING =============== 5565.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5565.59 PRESSURE: 1916400 -226.057 -30.0148 -9.73684 -30.0141 -434.041 -162.099 -9.73686 -162.101 -230.699 GPRESSURE: 1916400 -206.854 -92.7414 -81.6105 -24.9581 -420.31 -191.534 38.9094 -76.878 -164.172 PRESSAVG: 1916400 20.9874 -22.2563 -9.75123 -22.2564 21.536 -6.10946 -9.75119 -6.10947 -30.1757 GPRESSAVG: 1916400 20.8334 -24.1388 -9.89889 -21.6064 22.4847 -7.21731 -9.56824 -6.55228 -30.6005 TIMING: 1916400 CPU: 5562.42, 0.00296633/step Wall: 5562.42, 0.00296633/step, 2.54083 hours remaining, 205.035156 MB of memory in use. ENERGY: 1916400 794.5691 2108.1535 1967.9829 118.6750 -205957.0590 17490.4795 0.0000 0.0000 34171.2016 -149305.9975 298.4256 -183477.1991 -149201.4963 298.2222 -296.9321 -263.7786 558471.7087 4.1159 4.2392 PRESSURE: 1916600 -208.207 40.7378 46.6528 40.7369 -275.182 27.3839 46.6521 27.3827 -252.601 GPRESSURE: 1916600 -195.585 67.102 49.7097 -16.4644 -214.434 107.107 13.5335 -23.3134 -224.905 PRESSAVG: 1916600 20.094 -0.620673 -41.1341 -0.620784 -23.3121 -57.325 -41.1342 -57.325 8.14508 GPRESSAVG: 1916600 19.2182 2.26409 -41.4261 -3.09708 -23.1351 -57.6225 -43.1311 -57.6682 8.38305 TIMING: 1916600 CPU: 5563, 0.00290633/step Wall: 5563, 0.00290633/step, 2.48928 hours remaining, 205.035156 MB of memory in use. ENERGY: 1916600 729.6156 2061.3509 1947.9614 122.7681 -206233.0430 17590.2402 0.0000 0.0000 34231.3067 -149549.8002 298.9505 -183781.1069 -149453.3197 298.8008 -245.3302 -211.6413 558920.7970 1.6423 1.4887 PRESSURE: 1916800 82.6323 2.34847 100.681 2.34773 -207.299 26.8227 100.68 26.8253 -88.9773 GPRESSURE: 1916800 126.227 -41.5785 81.6137 19.3424 -184.601 15.3257 160.146 -27.9918 -59.583 PRESSAVG: 1916800 86.9541 -19.1223 -9.40667 -19.1223 -114.552 -6.30383 -9.40668 -6.30387 26.2788 GPRESSAVG: 1916800 88.7889 -19.3661 -10.8701 -18.7678 -115.952 -8.44462 -9.11127 -4.63385 26.1606 TIMING: 1916800 CPU: 5563.58, 0.00288515/step Wall: 5563.58, 0.00288515/step, 2.47097 hours remaining, 205.328125 MB of memory in use. ENERGY: 1916800 748.4999 2092.8070 1971.1411 108.4129 -206405.7140 17894.9699 0.0000 0.0000 34073.2354 -149516.6478 297.5700 -183589.8832 -149425.3616 298.5997 -71.2148 -39.3190 557219.2057 -0.4398 -0.3343 PRESSURE: 1917000 -123.455 -1.20945 -164.07 -1.20866 21.7457 22.1776 -164.069 22.1767 -191.944 GPRESSURE: 1917000 -108.979 86.5569 -253.685 1.10702 67.6157 84.9865 -59.4527 -15.1121 -154.308 PRESSAVG: 1917000 13.5874 -26.0112 -5.05449 -26.0114 -69.4544 -7.16386 -5.05446 -7.16374 43.236 GPRESSAVG: 1917000 13.2781 -27.7363 -3.3976 -25.2468 -68.639 -5.26754 -6.00225 -7.47175 42.156 TIMING: 1917000 CPU: 5564.16, 0.00290387/step Wall: 5564.16, 0.00290387/step, 2.48684 hours remaining, 205.570312 MB of memory in use. ENERGY: 1917000 760.1523 2063.0081 1965.6137 111.8418 -206524.5331 17905.8313 0.0000 0.0000 34312.8403 -149405.2456 299.6626 -183718.0859 -149305.9708 298.7619 -97.8842 -65.2238 558669.3986 -4.2103 -4.4017 PRESSURE: 1917200 -277.218 -123.362 -74.4823 -123.362 19.8406 -41.2672 -74.4832 -41.2672 -257.776 GPRESSURE: 1917200 -259.328 -84.0773 -85.1644 -73.9843 53.3981 -81.1663 -16.4975 -66.905 -209.851 PRESSAVG: 1917200 -2.65178 -40.5474 -28.9735 -40.5474 -44.2303 62.1561 -28.9735 62.156 60.7896 GPRESSAVG: 1917200 -3.50954 -39.1218 -29.1788 -39.8307 -44.7824 62.9637 -26.8496 60.0969 61.4664 TIMING: 1917200 CPU: 5564.74, 0.00290496/step Wall: 5564.74, 0.00290496/step, 2.48761 hours remaining, 205.570312 MB of memory in use. ENERGY: 1917200 749.5084 2067.5110 1959.9494 101.9705 -206553.5249 17775.2661 0.0000 0.0000 34368.4118 -149530.9078 300.1479 -183899.3196 -149439.6483 298.0764 -171.7180 -138.5934 559244.1912 4.6358 4.3915 PRESSURE: 1917400 186.022 143.114 -79.5792 143.114 131.452 357.37 -79.5785 357.373 230.713 GPRESSURE: 1917400 254.26 120.955 -156.485 107.531 175.502 245.394 -24.0753 270.097 216.953 PRESSAVG: 1917400 20.5342 -44.7566 -49.4604 -44.7566 24.62 59.7715 -49.4604 59.7716 -23.037 GPRESSAVG: 1917400 21.1898 -45.0522 -49.6864 -45.3952 24.9487 58.9636 -49.6178 59.9274 -23.4025 TIMING: 1917400 CPU: 5565.33, 0.00293951/step Wall: 5565.33, 0.00293951/step, 2.51704 hours remaining, 205.570312 MB of memory in use. ENERGY: 1917400 697.0276 2109.7809 1979.8476 112.8102 -206887.6768 18095.8226 0.0000 0.0000 34276.1329 -149616.2549 299.3420 -183892.3878 -149524.3406 297.8045 182.7290 215.5717 557417.1812 7.3724 7.5787 PRESSURE: 1917600 -157.235 134.82 -76.8671 134.819 -1.23935 -13.995 -76.8672 -13.9957 -129.566 GPRESSURE: 1917600 -90.5249 38.4112 14.1871 165.791 2.43375 -50.3303 -127.718 25.8306 -91.2917 PRESSAVG: 1917600 55.3559 -4.67213 -57.4812 -4.67221 33.7267 60.2603 -57.4812 60.2603 -8.89027 GPRESSAVG: 1917600 55.3463 -5.48641 -59.1048 -4.13688 34.2878 59.6618 -58.7808 60.6311 -9.55376 TIMING: 1917600 CPU: 5565.91, 0.00290748/step Wall: 5565.91, 0.00290748/step, 2.48945 hours remaining, 205.570312 MB of memory in use. ENERGY: 1917600 746.0937 2100.2300 1985.3847 112.3711 -206251.6640 17636.1500 0.0000 0.0000 33927.4128 -149744.0217 296.2965 -183671.4344 -149653.1263 298.2566 -96.0132 -59.7943 557628.3570 26.7308 26.6934 PRESSURE: 1917800 -132.12 -70.0288 97.7063 -70.0305 73.5198 -190.717 97.7062 -190.718 8.2296 GPRESSURE: 1917800 -83.0432 -126.427 123.61 -135.819 108.256 -181.663 86.7316 -86.6199 18.0624 PRESSAVG: 1917800 -21.4014 -18.3963 -47.9807 -18.3962 10.7781 -18.5306 -47.9807 -18.5307 5.46577 GPRESSAVG: 1917800 -22.8469 -18.648 -48.1752 -16.7966 11.2322 -18.1949 -45.9018 -15.9267 6.02087 TIMING: 1917800 CPU: 5566.49, 0.00290507/step Wall: 5566.49, 0.00290507/step, 2.48723 hours remaining, 205.570312 MB of memory in use. ENERGY: 1917800 748.4961 2114.8194 1966.3815 119.4109 -206637.9374 17824.4275 0.0000 0.0000 34143.0009 -149721.4010 298.1793 -183864.4019 -149623.0325 298.4582 -16.7903 14.4252 555749.1285 -1.7192 -1.8646 PRESSURE: 1918000 114.578 -92.4752 106.92 -92.4743 -79.5156 -91.5287 106.92 -91.5292 -461.283 GPRESSURE: 1918000 135.94 -21.303 74.7302 -191.174 -96.0331 -2.53002 176.667 -81.1382 -381.781 PRESSAVG: 1918000 47.9802 -25.984 -52.3285 -25.984 5.66388 1.13412 -52.3284 1.13403 -32.7552 GPRESSAVG: 1918000 48.1229 -25.877 -50.0697 -27.395 5.24728 0.778946 -53.7596 -1.52439 -32.3517 TIMING: 1918000 CPU: 5567.07, 0.00291666/step Wall: 5567.07, 0.00291666/step, 2.49699 hours remaining, 205.609375 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: 1918000 741.5279 2125.5664 1965.7583 117.9093 -206761.0790 17658.2892 0.0000 0.0000 34377.3100 -149774.7180 300.2256 -184152.0280 -149670.7723 297.7295 -142.0735 -113.9578 556467.7586 6.9630 7.0061 PRESSURE: 1918200 74.6131 -116.548 -84.5163 -116.547 -94.7657 -28.2302 -84.5161 -28.231 -144.661 GPRESSURE: 1918200 48.1096 -71.904 -8.12 -109.093 -33.6578 -60.5343 -184.395 -59.1682 -91.5505 PRESSAVG: 1918200 -7.68938 -76.294 -6.87386 -76.294 3.02218 24.501 -6.87387 24.5008 -2.55915 GPRESSAVG: 1918200 -7.29359 -75.3746 -7.67118 -76.0024 1.85313 24.1918 -7.53352 23.5576 -1.81339 TIMING: 1918200 CPU: 5567.65, 0.0028751/step Wall: 5567.65, 0.0028751/step, 2.46125 hours remaining, 205.609375 MB of memory in use. ENERGY: 1918200 771.1003 2112.3901 1943.1437 116.3206 -206821.5436 18038.7255 0.0000 0.0000 34175.7293 -149664.1341 298.4651 -183839.8634 -149569.8304 298.1389 -54.9378 -25.6996 556894.0155 -2.4088 -2.4179 PRESSURE: 1918400 -173.051 -13.0607 -106.079 -13.0591 7.53774 -239.981 -106.079 -239.98 -99.079 GPRESSURE: 1918400 -125.643 -59.821 -97.9738 -9.15154 83.0869 -115.369 -29.2398 -216.23 -120.009 PRESSAVG: 1918400 3.70638 2.02262 -26.659 2.02263 60.8232 8.93203 -26.659 8.93198 -68.2335 GPRESSAVG: 1918400 3.30493 1.74413 -26.9401 -0.478442 62.0068 9.357 -25.9638 10.3704 -68.9909 TIMING: 1918400 CPU: 5568.22, 0.00288312/step Wall: 5568.22, 0.00288312/step, 2.46795 hours remaining, 205.609375 MB of memory in use. ENERGY: 1918400 740.0678 2063.3993 1966.4386 121.6733 -206422.6426 17789.8400 0.0000 0.0000 34110.3470 -149630.8766 297.8941 -183741.2236 -149532.3628 298.2975 -88.1975 -54.1883 557282.2339 -1.2346 -1.2264 PRESSURE: 1918600 189.806 7.07191 121.124 7.07155 22.8058 138.634 121.124 138.634 5.72065 GPRESSURE: 1918600 213.358 -31.7039 105.129 18.5254 24.6134 133.32 151.523 64.219 62.8612 PRESSAVG: 1918600 -12.6287 -6.81622 -17.0836 -6.81617 63.9053 -18.6387 -17.0837 -18.6387 -17.7604 GPRESSAVG: 1918600 -13.0371 -9.35417 -16.3283 -5.45567 64.3863 -18.1659 -16.8974 -19.8194 -17.8544 TIMING: 1918600 CPU: 5568.8, 0.00287799/step Wall: 5568.8, 0.00287799/step, 2.4634 hours remaining, 205.609375 MB of memory in use. ENERGY: 1918600 711.0391 2141.8448 1960.1987 115.9453 -206464.4092 17856.2635 0.0000 0.0000 34289.8973 -149389.2206 299.4622 -183679.1179 -149290.9464 298.5501 72.7774 100.2776 557199.9503 11.1721 11.1650 PRESSURE: 1918800 -108.59 26.3701 13.8609 26.371 54.2081 84.0855 13.861 84.0877 45.4942 GPRESSURE: 1918800 -90.7485 9.85944 20.6128 68.9514 118.514 42.5715 -21.0081 71.3213 50.9933 PRESSAVG: 1918800 -53.2876 -56.0681 -17.8854 -56.0681 65.9278 -3.35389 -17.8854 -3.3538 17.1878 GPRESSAVG: 1918800 -52.3493 -53.3395 -17.6282 -56.7997 65.61 -1.86945 -17.7491 -3.11452 17.0303 TIMING: 1918800 CPU: 5569.39, 0.00294074/step Wall: 5569.39, 0.00294074/step, 2.51694 hours remaining, 205.609375 MB of memory in use. ENERGY: 1918800 758.0307 2062.8793 1957.9839 100.0154 -206465.9591 17944.8277 0.0000 0.0000 34144.0076 -149498.2145 298.1881 -183642.2221 -149400.2303 299.2920 -2.9624 26.2528 556832.6112 9.9426 10.0970 PRESSURE: 1919000 -108.571 -37.6413 53.5642 -37.6412 -55.8543 94.6356 53.5652 94.6359 126.368 GPRESSURE: 1919000 -111.674 -34.4918 -16.1435 -84.5552 -25.9676 100.978 47.3555 79.9352 208.57 PRESSAVG: 1919000 -71.1048 -26.7978 10.781 -26.7978 -42.1701 3.7333 10.7808 3.73338 120.533 GPRESSAVG: 1919000 -72.7207 -27.3405 7.91423 -25.5804 -41.1202 3.36101 10.7667 4.44633 121.172 TIMING: 1919000 CPU: 5569.97, 0.00290464/step Wall: 5569.97, 0.00290464/step, 2.48589 hours remaining, 205.609375 MB of memory in use. ENERGY: 1919000 756.2311 2052.9191 1939.0245 113.6906 -206335.0635 17805.3305 0.0000 0.0000 34185.9023 -149481.9655 298.5540 -183667.8678 -149385.4553 298.9185 -12.6857 23.6430 557005.1731 2.4193 2.4437 PRESSURE: 1919200 -101.104 47.4977 -4.43815 47.4982 -296.645 -180.627 -4.43851 -180.629 -151.419 GPRESSURE: 1919200 -71.4959 126.597 -17.0615 -29.8829 -290.712 -154.334 0.846901 -196.051 -99.2858 PRESSAVG: 1919200 -38.2171 -12.9608 45.4023 -12.9608 7.66708 9.74514 45.4022 9.74515 40.4193 GPRESSAVG: 1919200 -37.5658 -12.1097 46.3892 -14.6507 6.37264 11.2731 45.5561 9.24573 40.4761 TIMING: 1919200 CPU: 5570.55, 0.00289939/step Wall: 5570.55, 0.00289939/step, 2.48123 hours remaining, 205.609375 MB of memory in use. ENERGY: 1919200 740.0681 2134.6854 1942.7209 111.8317 -206182.5528 17627.3985 0.0000 0.0000 34241.2245 -149384.6237 299.0371 -183625.8483 -149293.3584 298.2577 -183.0558 -153.8313 557762.0087 3.2898 3.0943 PRESSURE: 1919400 -155.25 0.069513 139.79 0.0695735 35.4461 -151.423 139.79 -151.423 126.08 GPRESSURE: 1919400 -124.071 49.1044 114.719 -74.0261 47.5577 -167.858 144.231 -61.4275 174.279 PRESSAVG: 1919400 28.5322 -20.8735 -22.1757 -20.8734 -52.1363 -29.0692 -22.1756 -29.0692 52.7389 GPRESSAVG: 1919400 27.8137 -23.3782 -21.1486 -18.0868 -52.4679 -30.6476 -23.4044 -30.1774 53.3701 TIMING: 1919400 CPU: 5571.13, 0.00290213/step Wall: 5571.13, 0.00290213/step, 2.48342 hours remaining, 205.609375 MB of memory in use. ENERGY: 1919400 784.2263 2098.1596 1969.1478 97.6261 -206479.8362 17978.6968 0.0000 0.0000 34267.8686 -149284.1110 299.2698 -183551.9796 -149183.9080 298.7517 2.0920 32.5887 556342.7686 9.7116 9.5720 PRESSURE: 1919600 -239.837 89.0207 85.1392 89.0209 -249.722 108.082 85.1393 108.083 237.859 GPRESSURE: 1919600 -146.404 95.974 132.544 22.2159 -203.491 18.5941 122.116 153.454 192.486 PRESSAVG: 1919600 -44.3836 5.00775 4.99291 5.0078 -78.8466 9.26703 4.9929 9.26708 120.142 GPRESSAVG: 1919600 -43.2491 6.32241 3.81195 2.76154 -79.262 8.79353 7.20667 10.668 119.571 TIMING: 1919600 CPU: 5571.71, 0.00290972/step Wall: 5571.71, 0.00290972/step, 2.48975 hours remaining, 205.609375 MB of memory in use. ENERGY: 1919600 800.9895 2134.0929 1963.3806 113.4466 -206165.4883 17670.4472 0.0000 0.0000 34279.9340 -149203.1975 299.3752 -183483.1315 -149115.3295 299.0337 -83.8998 -52.4698 556557.3870 -1.0294 -0.9802 PRESSURE: 1919800 -290.6 -91.2503 54.6717 -91.2512 -343.668 107.271 54.6727 107.272 -199.883 GPRESSURE: 1919800 -211.622 -90.4067 -5.39548 -32.6926 -342.233 66.6527 124.527 116.978 -193.63 PRESSAVG: 1919800 -4.72438 -15.2758 45.3609 -15.2759 -46.02 26.5323 45.361 26.5324 51.1188 GPRESSAVG: 1919800 -5.97263 -14.651 47.257 -14.6679 -45.3027 27.4796 44.5395 25.849 51.8622 TIMING: 1919800 CPU: 5572.3, 0.00292626/step Wall: 5572.3, 0.00292626/step, 2.50374 hours remaining, 205.609375 MB of memory in use. ENERGY: 1919800 762.1417 2126.2759 1979.0615 121.2610 -205954.2543 17430.9609 0.0000 0.0000 34335.1236 -149199.4298 299.8572 -183534.5534 -149105.6533 300.0394 -278.0503 -249.1616 558542.2346 0.1248 0.1956 PRESSURE: 1920000 31.8246 -103.501 152.942 -103.501 107.557 53.1958 152.943 53.1959 242.963 GPRESSURE: 1920000 56.8011 -21.2266 161.971 -112.634 132.479 22.6919 83.7128 44.6845 280.284 PRESSAVG: 1920000 -56.735 -38.2494 48.0622 -38.2495 -44.5843 27.671 48.0622 27.671 59.1194 GPRESSAVG: 1920000 -55.7007 -37.0168 49.9557 -38.4704 -43.8804 26.5795 45.7434 27.2273 57.7987 TIMING: 1920000 CPU: 5572.88, 0.00290674/step Wall: 5572.88, 0.00290674/step, 2.48688 hours remaining, 205.609375 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: 1920000 725.6662 2121.5026 1973.3749 113.3776 -206698.1394 18084.6170 0.0000 0.0000 34658.9845 -149020.6166 302.6855 -183679.6011 -148924.1671 299.5438 127.4482 156.5214 557263.6258 -14.0666 -13.9274 PRESSURE: 1920200 -43.9156 54.2415 -203.059 54.2414 -140.906 27.1183 -203.058 27.1172 -143.803 GPRESSURE: 1920200 6.30545 89.4731 -224.376 51.9364 -76.2743 -34.4834 -163.909 116.34 -157.885 PRESSAVG: 1920200 65.1947 -32.3682 4.97544 -32.3683 -67.3656 -15.9822 4.97536 -15.9822 55.2771 GPRESSAVG: 1920200 64.9477 -33.3166 1.24038 -32.6017 -67.2523 -14.1283 6.58107 -15.7078 55.1242 TIMING: 1920200 CPU: 5573.46, 0.00291573/step Wall: 5573.46, 0.00291573/step, 2.4944 hours remaining, 205.609375 MB of memory in use. ENERGY: 1920200 751.8533 2068.1292 1989.9446 123.3903 -205954.2855 17639.1705 0.0000 0.0000 34311.3388 -149070.4587 299.6495 -183381.7976 -148970.2760 299.6586 -109.5413 -75.9514 557635.3442 17.7021 17.6065 LDB: ============= START OF LOAD BALANCING ============== 5576.93 LDB: ============== END OF LOAD BALANCING =============== 5576.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5576.93 LDB: ============= START OF LOAD BALANCING ============== 5577.23 LDB: Largest compute 4820 load 0.029243 is 24.8% of average load 0.117781 LDB: Average compute 0.001718 is 1.5% of average load 0.117781 LDB: TIME 5577.23 LOAD: AVG 0.117781 MAX 0.178229 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.059 MB LDB: TIME 5577.23 LOAD: AVG 0.117781 MAX 0.178229 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: TIME 5577.23 LOAD: AVG 0.117781 MAX 0.178229 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.062 MB LDB: ============== END OF LOAD BALANCING =============== 5577.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5577.23 PRESSURE: 1920400 -71.3699 157.014 -125.094 157.014 5.34856 -162.591 -125.093 -162.592 89.8801 GPRESSURE: 1920400 -30.4118 257.298 -103.397 92.5365 59.8769 -64.4075 -165.871 -154.742 101.103 PRESSAVG: 1920400 -63.5939 -7.57563 -20.8831 -7.57564 13.2938 -38.9564 -20.8831 -38.9563 21.1177 GPRESSAVG: 1920400 -62.4299 -10.5653 -19.0295 -3.74244 12.4583 -41.2175 -21.1967 -38.3921 20.504 TIMING: 1920400 CPU: 5574.06, 0.00298947/step Wall: 5574.06, 0.00298947/step, 2.55732 hours remaining, 206.136719 MB of memory in use. ENERGY: 1920400 748.4652 2114.1626 1974.5080 110.9288 -206090.8392 17659.8346 0.0000 0.0000 34375.2693 -149107.6707 300.2078 -183482.9399 -149013.0068 299.2288 7.9529 43.5228 555840.5791 -9.7275 -9.8225 PRESSURE: 1920600 -23.8158 125.61 -26.7582 125.61 37.1345 -181.557 -26.7579 -181.556 -42.3752 GPRESSURE: 1920600 -12.1929 43.1675 4.52268 129.456 36.0554 -184.393 -157.81 -205.003 34.5889 PRESSAVG: 1920600 -45.1071 39.1728 -14.832 39.1727 -5.04016 -28.9825 -14.832 -28.9825 53.5006 GPRESSAVG: 1920600 -46.8071 40.9478 -16.3748 37.6502 -4.93543 -27.1161 -14.8507 -29.6871 54.814 TIMING: 1920600 CPU: 5574.64, 0.00291302/step Wall: 5574.64, 0.00291302/step, 2.49176 hours remaining, 206.136719 MB of memory in use. ENERGY: 1920600 774.0077 2073.8301 1948.9762 109.4464 -206136.9009 17630.6427 0.0000 0.0000 34459.8364 -149140.1613 300.9463 -183599.9977 -149035.3153 300.4133 -9.6855 19.4838 556159.7820 1.1178 1.0238 PRESSURE: 1920800 -180.391 20.2189 68.3651 20.219 -19.4557 -35.3369 68.3651 -35.3381 -15.7006 GPRESSURE: 1920800 -155.061 93.0197 84.5088 -47.8191 44.5633 -43.276 88.1682 -23.341 -5.93721 PRESSAVG: 1920800 -33.6013 -6.85422 -56.6899 -6.85422 58.2799 20.3554 -56.6899 20.3554 -21.5937 GPRESSAVG: 1920800 -33.0174 -8.10352 -56.4915 -5.34908 57.8503 18.2347 -56.8298 20.9855 -21.7112 TIMING: 1920800 CPU: 5575.22, 0.0028988/step Wall: 5575.22, 0.00289879/step, 2.47944 hours remaining, 206.136719 MB of memory in use. ENERGY: 1920800 796.0025 2111.3787 1955.4616 119.5942 -206326.3446 17746.1836 0.0000 0.0000 34359.5832 -149238.1409 300.0708 -183597.7240 -149146.8322 299.3311 -71.8490 -38.8116 554645.3849 1.0283 1.0406 PRESSURE: 1921000 -140.483 52.2416 43.8629 52.2421 -229.299 10.1313 43.8617 10.1308 163.835 GPRESSURE: 1921000 -54.6393 98.457 6.99963 -56.6109 -246.916 -0.368576 40.8922 28.3629 196.18 PRESSAVG: 1921000 -1.26884 17.7725 30.2693 17.7726 0.158305 24.9774 30.2694 24.9776 -10.3926 GPRESSAVG: 1921000 -1.59569 18.2577 30.9331 15.3152 0.615296 27.5646 29.1935 23.7378 -11.114 TIMING: 1921000 CPU: 5575.8, 0.0028959/step Wall: 5575.8, 0.0028959/step, 2.4768 hours remaining, 206.136719 MB of memory in use. ENERGY: 1921000 734.3980 2118.9732 1964.6555 126.2204 -205928.5851 17594.4462 0.0000 0.0000 34290.4843 -149099.4075 299.4673 -183389.8918 -149002.6533 299.5680 -68.6492 -35.1250 556555.8782 -3.8344 -4.0315 PRESSURE: 1921200 31.6088 -107.768 7.88252 -107.768 42.6654 244.433 7.88129 244.434 353.982 GPRESSURE: 1921200 38.983 -91.7574 -16.279 -73.4181 127.672 254.571 29.8317 184.252 350.835 PRESSAVG: 1921200 -16.833 18.85 -12.4311 18.85 19.668 -5.23522 -12.431 -5.23515 -21.6649 GPRESSAVG: 1921200 -17.594 19.45 -12.4708 19.1852 19.6252 -6.35244 -13.4631 -4.02758 -21.2937 TIMING: 1921200 CPU: 5576.39, 0.00292179/step Wall: 5576.39, 0.00292179/step, 2.49878 hours remaining, 206.136719 MB of memory in use. ENERGY: 1921200 713.9243 2103.0135 1983.6853 98.8429 -205959.9362 17892.0194 0.0000 0.0000 34103.5777 -149064.8732 297.8350 -183168.4508 -148963.9211 299.0736 142.7522 172.4967 557709.4601 -6.2766 -6.4208 PRESSURE: 1921400 -254.413 -116.455 26.2726 -116.456 -266.638 21.6666 26.2714 21.6663 -183.609 GPRESSURE: 1921400 -249.496 -84.0318 65.5164 -196.109 -172.11 12.956 44.5387 73.6405 -191.401 PRESSAVG: 1921400 -15.1615 -20.6657 32.036 -20.6657 36.5657 16.5667 32.036 16.5666 13.0389 GPRESSAVG: 1921400 -14.9281 -21.2306 30.402 -19.576 36.6759 16.2459 34.3174 16.8714 12.4535 TIMING: 1921400 CPU: 5576.96, 0.00289406/step Wall: 5576.96, 0.00289406/step, 2.47491 hours remaining, 206.136719 MB of memory in use. ENERGY: 1921400 762.3229 2073.1387 1924.8467 114.1634 -205631.2004 17451.3537 0.0000 0.0000 34224.7343 -149080.6408 298.8931 -183305.3751 -148989.3282 299.0200 -234.8867 -204.3358 559016.1448 11.4810 11.4004 PRESSURE: 1921600 -124.408 -121.839 118.359 -121.84 50.7772 -19.196 118.36 -19.1968 41.199 GPRESSURE: 1921600 -89.2775 -137.442 191.228 -80.1616 72.3877 21.6053 89.4328 -61.0019 73.7818 PRESSAVG: 1921600 -11.7406 4.39015 -9.55342 4.3902 85.9914 -32.4189 -9.5534 -32.419 5.65853 GPRESSAVG: 1921600 -11.4643 5.13118 -8.7792 2.96355 85.2222 -33.1272 -12.1428 -31.3929 5.87212 TIMING: 1921600 CPU: 5577.54, 0.0028795/step Wall: 5577.54, 0.0028795/step, 2.46229 hours remaining, 206.175781 MB of memory in use. ENERGY: 1921600 709.5832 2058.6036 1964.8494 118.0189 -205678.8689 17563.6020 0.0000 0.0000 34292.6496 -148971.5623 299.4862 -183264.2119 -148879.5193 299.8663 -10.8105 18.9640 558467.8684 26.6364 26.5433 PRESSURE: 1921800 -124.935 28.7348 -36.6382 28.7341 -190.16 17.5472 -36.6378 17.5452 64.2091 GPRESSURE: 1921800 -91.1383 54.4018 -43.6677 -49.719 -159.482 -13.4178 -89.8844 56.6073 82.2413 PRESSAVG: 1921800 -36.0328 14.2009 37.2804 14.2009 -21.9227 -5.77606 37.2804 -5.77609 81.2557 GPRESSAVG: 1921800 -35.4338 12.7449 36.9397 14.6299 -22.7858 -3.95813 39.5165 -6.38685 81.9954 TIMING: 1921800 CPU: 5578.11, 0.00287172/step Wall: 5578.11, 0.00287172/step, 2.45548 hours remaining, 206.175781 MB of memory in use. ENERGY: 1921800 751.3431 2113.2804 1931.2562 104.0187 -205696.8846 17615.7921 0.0000 0.0000 34285.6713 -148895.5227 299.4253 -183181.1940 -148801.6342 299.7637 -83.6285 -56.1262 558316.7720 7.7667 7.9252 PRESSURE: 1922000 55.0997 22.3235 156.414 22.3241 176.79 -24.5276 156.414 -24.5266 354.965 GPRESSURE: 1922000 52.5224 36.6247 182.611 53.4577 289.316 -82.4618 174.806 -17.6751 338.969 PRESSAVG: 1922000 -28.1804 52.7125 -14.6784 52.7123 27.5017 17.9015 -14.6784 17.9014 -26.6693 GPRESSAVG: 1922000 -27.7248 54.4213 -12.2414 53.8125 27.3085 17.3721 -17.1257 17.8135 -26.5983 TIMING: 1922000 CPU: 5578.69, 0.00289624/step Wall: 5578.69, 0.00289624/step, 2.47629 hours remaining, 206.175781 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: 1922000 689.0884 2049.4633 1979.0610 115.5299 -205634.0037 17755.7461 0.0000 0.0000 34142.5086 -148902.6064 298.1750 -183045.1150 -148802.3940 299.6815 195.6180 226.9357 557254.9781 -9.1160 -9.0049 PRESSURE: 1922200 -269.545 17.8402 76.5389 17.84 -270.997 -96.4261 76.5386 -96.4266 -37.1287 GPRESSURE: 1922200 -280.154 22.9871 85.8672 31.8761 -176.417 -66.6652 62.978 -52.969 -30.0678 PRESSAVG: 1922200 33.0184 43.7013 23.3789 43.7014 -11.6878 39.6048 23.379 39.6048 29.0787 GPRESSAVG: 1922200 31.7032 41.0695 20.637 43.9902 -10.4695 40.6601 26.4549 41.3207 28.5125 TIMING: 1922200 CPU: 5579.27, 0.00288917/step Wall: 5579.27, 0.00288917/step, 2.47008 hours remaining, 206.175781 MB of memory in use. ENERGY: 1922200 735.7383 2078.1834 1961.2917 115.4486 -205642.3656 17499.7687 0.0000 0.0000 34253.3199 -148998.6149 299.1428 -183251.9349 -148896.5319 299.6278 -192.5568 -162.2130 559926.4313 16.8031 16.5820 PRESSURE: 1922400 -159.969 11.5011 32.6742 11.5003 -4.63026 85.0378 32.6746 85.0376 272.805 GPRESSURE: 1922400 -98.7111 82.2561 -37.6216 -9.39846 9.58219 60.4106 69.3049 90.3761 286.291 PRESSAVG: 1922400 20.0283 57.1977 29.3819 57.1975 -34.1382 20.9365 29.3818 20.9364 54.0668 GPRESSAVG: 1922400 21.7209 57.0136 28.6647 57.3189 -35.5914 18.7954 30.1638 17.9214 53.7 TIMING: 1922400 CPU: 5579.85, 0.00287945/step Wall: 5579.85, 0.00287945/step, 2.46161 hours remaining, 206.175781 MB of memory in use. ENERGY: 1922400 759.1114 2076.1213 1957.7295 111.3856 -206483.6854 18099.4634 0.0000 0.0000 34415.3750 -149064.4992 300.5580 -183479.8743 -148966.1803 299.6121 36.0688 65.7207 558594.6017 13.3190 13.2765 PRESSURE: 1922600 -46.8763 27.0492 10.3452 27.0475 51.5245 27.0781 10.3443 27.0779 -79.5016 GPRESSURE: 1922600 -18.5311 -27.3617 -26.8311 20.6501 48.6241 17.4037 -12.1568 39.5092 -10.805 PRESSAVG: 1922600 33.4702 28.5538 33.7237 28.5538 33.028 -5.58601 33.7237 -5.58609 19.1512 GPRESSAVG: 1922600 31.9055 29.7181 35.2516 26.7359 34.0789 -6.56486 31.5879 -3.06469 19.6852 TIMING: 1922600 CPU: 5580.42, 0.00288523/step Wall: 5580.42, 0.00288523/step, 2.46639 hours remaining, 206.320312 MB of memory in use. ENERGY: 1922600 734.5272 2113.3656 1947.4750 114.6063 -205809.3301 17770.6060 0.0000 0.0000 34051.9426 -149076.8072 297.3841 -183128.7499 -148987.7756 299.0014 -24.9511 6.4293 558934.6778 28.5498 28.5565 PRESSURE: 1922800 -304.351 -121.038 -71.746 -121.038 -48.9298 -53.9963 -71.7451 -53.9957 151.673 GPRESSURE: 1922800 -262.138 -84.5972 -99.3002 -120.565 -27.9164 -93.4651 -104.921 -7.49314 192.874 PRESSAVG: 1922800 18.6356 -80.3036 7.34652 -80.3035 -22.1528 -18.4726 7.34641 -18.4727 -25.244 GPRESSAVG: 1922800 19.9614 -81.6293 5.8752 -78.281 -22.745 -16.1865 8.87546 -19.564 -26.2947 TIMING: 1922800 CPU: 5581, 0.00288235/step Wall: 5581, 0.00288235/step, 2.46377 hours remaining, 206.320312 MB of memory in use. ENERGY: 1922800 746.2256 2053.9363 1938.6256 109.0259 -206054.1807 17819.1537 0.0000 0.0000 34312.6590 -149074.5546 299.6610 -183387.2136 -148970.3675 298.9333 -67.2026 -32.3934 559350.8957 -9.5871 -9.6928 PRESSURE: 1923000 -5.54793 -54.0803 46.1006 -54.08 -144.104 -23.7438 46.1005 -23.7422 -18.7581 GPRESSURE: 1923000 3.95786 -27.7825 91.7664 -94.1815 -107.996 65.8682 87.0628 -53.7911 33.0502 PRESSAVG: 1923000 34.7465 15.4692 -2.486 15.4692 6.08738 -34.2286 -2.48595 -34.2286 -7.38077 GPRESSAVG: 1923000 33.3333 17.4616 -1.13804 12.778 6.39083 -34.3966 -4.19588 -33.2038 -5.7526 TIMING: 1923000 CPU: 5581.58, 0.00287713/step Wall: 5581.58, 0.00287713/step, 2.45915 hours remaining, 206.320312 MB of memory in use. ENERGY: 1923000 773.7855 2092.4852 1977.4380 123.8633 -206200.7130 17902.8241 0.0000 0.0000 34261.8707 -149068.4461 299.2174 -183330.3168 -148977.5877 299.4768 -56.1365 -23.6626 559737.3058 11.1510 11.3238 PRESSURE: 1923200 -64.7311 54.4862 121.489 54.4866 20.6508 134.967 121.489 134.967 93.9751 GPRESSURE: 1923200 13.9037 57.4014 126.511 2.84518 58.8148 144.441 108.922 136.248 73.0045 PRESSAVG: 1923200 28.2428 32.5274 12.5543 32.5274 3.73843 14.4003 12.5543 14.4004 -43.1489 GPRESSAVG: 1923200 29.8092 32.1098 12.3684 33.7151 3.28749 14.705 13.5353 13.9355 -44.3053 TIMING: 1923200 CPU: 5582.15, 0.00289045/step Wall: 5582.15, 0.00289045/step, 2.47037 hours remaining, 206.320312 MB of memory in use. ENERGY: 1923200 758.1596 2064.3658 1969.7007 122.9685 -205991.1666 17944.0725 0.0000 0.0000 34071.0195 -149060.8801 297.5507 -183131.8996 -148963.5599 299.1956 16.6316 48.5743 558208.9259 -3.7226 -3.7362 PRESSURE: 1923400 -6.56146 -126.124 -40.077 -126.125 -3.18771 82.6138 -40.0768 82.6145 -183.426 GPRESSURE: 1923400 30.1458 -146.11 -100.933 15.7639 55.6938 17.3701 7.79164 134.719 -189.252 PRESSAVG: 1923400 -22.0311 -26.3514 6.65801 -26.3516 24.0522 51.395 6.65807 51.395 -55.0175 GPRESSAVG: 1923400 -22.1048 -26.3514 5.51084 -25.2941 24.5679 51.0669 6.1966 52.472 -55.5848 TIMING: 1923400 CPU: 5582.73, 0.00288263/step Wall: 5582.73, 0.00288263/step, 2.46353 hours remaining, 206.320312 MB of memory in use. ENERGY: 1923400 735.1139 2063.4329 1985.6612 110.6474 -206108.3239 17798.5801 0.0000 0.0000 34275.1314 -149139.7570 299.3332 -183414.8884 -149040.9112 299.8190 -64.3919 -34.4707 558790.4874 -17.6655 -17.7073 PRESSURE: 1923600 -64.9316 76.6369 11.972 76.6366 -122.244 139.531 11.9721 139.53 -14.4762 GPRESSURE: 1923600 42.958 131.858 -29.8951 111.113 -121.44 139.699 -10.8378 26.556 -23.0715 PRESSAVG: 1923600 -12.6433 -13.9586 44.4479 -13.9587 -26.448 46.6529 44.4478 46.6527 14.2187 GPRESSAVG: 1923600 -12.6677 -14.7979 44.8286 -15.1211 -26.4749 45.7096 45.2982 45.029 14.6048 TIMING: 1923600 CPU: 5583.31, 0.00288198/step Wall: 5583.31, 0.00288198/step, 2.46281 hours remaining, 206.320312 MB of memory in use. ENERGY: 1923600 762.7996 2086.0794 1960.5966 108.3735 -206695.0934 18114.9371 0.0000 0.0000 34388.3121 -149273.9951 300.3217 -183662.3071 -149178.9064 299.4772 -67.2173 -33.8512 558539.3850 -8.2909 -8.1793 PRESSURE: 1923800 -240.08 156.406 109.192 156.407 -20.1424 -31.1151 109.193 -31.1164 -73.7382 GPRESSURE: 1923800 -161.184 113.285 110.71 161.893 -28.2521 -4.03248 81.3818 -27.8958 -57.3133 PRESSAVG: 1923800 -14.067 11.549 11.1568 11.549 -7.34704 47.1247 11.1569 47.1247 60.5677 GPRESSAVG: 1923800 -13.4391 12.2762 12.3103 12.208 -7.34911 47.774 9.88929 48.8784 60.1881 TIMING: 1923800 CPU: 5583.88, 0.00288712/step Wall: 5583.88, 0.00288712/step, 2.46705 hours remaining, 206.320312 MB of memory in use. ENERGY: 1923800 736.5180 2049.8603 1974.9393 119.1216 -206306.0733 17722.3924 0.0000 0.0000 34347.4919 -149355.7498 299.9652 -183703.2417 -149261.5416 299.4405 -111.3203 -82.2499 557698.3024 13.0512 13.1333 PRESSURE: 1924000 -111.94 190.434 115.326 190.434 -107.213 85.5563 115.326 85.5562 94.5832 GPRESSURE: 1924000 -93.0538 130.892 80.6735 151.457 -98.4095 -29.1956 183.156 57.9412 161.944 PRESSAVG: 1924000 -59.6962 37.4664 51.3791 37.4664 10.6664 -18.9825 51.3791 -18.9825 73.5353 GPRESSAVG: 1924000 -60.0133 38.1035 50.5535 38.753 10.5242 -19.9942 52.7972 -21.066 73.7432 TIMING: 1924000 CPU: 5584.46, 0.00286163/step Wall: 5584.46, 0.00286163/step, 2.4451 hours remaining, 206.320312 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: 1924000 752.6013 2043.4414 1980.8130 113.1082 -206410.8752 17854.7616 0.0000 0.0000 34182.0273 -149484.1225 298.5201 -183666.1498 -149390.2660 298.4454 -41.5233 -9.8397 557638.8313 8.1685 8.0847 PRESSURE: 1924200 -216.884 -92.3447 23.2747 -92.3446 63.4058 -25.8949 23.2741 -25.8951 216.625 GPRESSURE: 1924200 -187.193 13.2316 -43.1482 -155.85 116.327 -30.8459 124.539 15.0061 233.935 PRESSAVG: 1924200 -77.6131 -14.0488 42.4766 -14.0488 48.0316 -21.9531 42.4767 -21.9533 24.9683 GPRESSAVG: 1924200 -79.6191 -13.2086 42.2596 -17.0847 48.4023 -21.1159 42.1381 -20.8107 26.6308 TIMING: 1924200 CPU: 5585.03, 0.0028753/step Wall: 5585.03, 0.0028753/step, 2.45663 hours remaining, 206.320312 MB of memory in use. ENERGY: 1924200 731.7845 2106.7751 1959.0456 119.0820 -206527.8397 17836.3069 0.0000 0.0000 34283.0008 -149491.8448 299.4020 -183774.8457 -149388.9589 298.2814 21.0490 54.3563 556787.4730 -1.5377 -1.5286 LDB: ============= START OF LOAD BALANCING ============== 5588.49 LDB: ============== END OF LOAD BALANCING =============== 5588.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5588.49 LDB: ============= START OF LOAD BALANCING ============== 5588.79 LDB: Largest compute 4820 load 0.029275 is 24.9% of average load 0.117743 LDB: Average compute 0.001718 is 1.5% of average load 0.117743 LDB: TIME 5588.79 LOAD: AVG 0.117743 MAX 0.175358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.133 MB LDB: TIME 5588.79 LOAD: AVG 0.117743 MAX 0.175358 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: TIME 5588.79 LOAD: AVG 0.117743 MAX 0.175358 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5588.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5588.79 PRESSURE: 1924400 -33.9848 120.66 -12.9621 120.66 -34.8755 -63.4405 -12.9624 -63.4401 149.958 GPRESSURE: 1924400 31.5877 143.363 -49.4498 97.8589 -12.2 -132.887 86.1965 -82.3743 160.166 PRESSAVG: 1924400 -70.2728 22.0746 8.36233 22.0745 -0.613214 -51.3807 8.36238 -51.3807 101.788 GPRESSAVG: 1924400 -69.0072 19.5326 9.8334 23.7641 0.449669 -53.0366 8.06567 -50.7233 99.6415 TIMING: 1924400 CPU: 5585.62, 0.00293358/step Wall: 5585.62, 0.00293358/step, 2.50626 hours remaining, 207.718750 MB of memory in use. ENERGY: 1924400 712.8775 2121.0028 1945.2897 115.9331 -206374.9591 17729.1789 0.0000 0.0000 34255.6457 -149495.0314 299.1631 -183750.6771 -149394.8805 298.3829 27.0326 59.8512 555871.9201 10.3007 10.3613 PRESSURE: 1924600 -67.1818 145.57 139.127 145.571 -208.852 -1.88811 139.125 -1.88693 -133.362 GPRESSURE: 1924600 -23.0647 182.858 192.559 58.2802 -175.554 -106.265 62.8059 35.3187 -116.07 PRESSAVG: 1924600 -17.383 -2.83622 7.98228 -2.83615 53.1302 -9.56702 7.98239 -9.56697 16.9271 GPRESSAVG: 1924600 -16.328 1.10226 7.92323 -4.78388 52.0449 -7.9046 6.21472 -10.3368 16.8712 TIMING: 1924600 CPU: 5586.2, 0.00288222/step Wall: 5586.2, 0.00288222/step, 2.46221 hours remaining, 207.902344 MB of memory in use. ENERGY: 1924600 740.6591 2095.2416 1966.1599 108.3305 -206522.4174 17669.0431 0.0000 0.0000 34335.4213 -149607.5618 299.8598 -183942.9831 -149516.8520 298.7922 -136.4651 -104.8962 556461.4904 17.5581 17.5294 PRESSURE: 1924800 215.636 -56.0402 130.876 -56.0407 137.075 -112.573 130.876 -112.573 -128.939 GPRESSURE: 1924800 223.804 -100.693 130.459 -28.7848 144.13 -195.313 167.238 -32.4746 -55.4051 PRESSAVG: 1924800 23.7094 27.2111 17.9921 27.2111 -27.5363 29.9265 17.9921 29.9266 -2.89546 GPRESSAVG: 1924800 23.4512 23.1994 16.2795 30.3231 -28.6707 30.8965 19.7478 30.5809 -1.14694 TIMING: 1924800 CPU: 5586.77, 0.00287639/step Wall: 5586.77, 0.00287639/step, 2.45707 hours remaining, 207.902344 MB of memory in use. ENERGY: 1924800 738.3242 2051.0958 1954.3460 109.9112 -206476.9203 17882.3386 0.0000 0.0000 34131.3554 -149609.5491 298.0776 -183740.9044 -149512.8216 298.8140 74.5905 104.1763 556715.0194 -2.2408 -2.1221 PRESSURE: 1925000 -159.637 -56.5106 -142.154 -56.5103 -31.6261 -84.4757 -142.153 -84.474 153.165 GPRESSURE: 1925000 -117.652 -81.6755 -212.149 -31.8637 -26.0726 31.9878 -132.946 -109.981 194.89 PRESSAVG: 1925000 -1.36355 3.79284 3.94138 3.79276 -7.17564 17.5045 3.94123 17.5046 24.9462 GPRESSAVG: 1925000 -1.67852 5.72228 3.64633 1.16596 -5.63571 14.1059 3.70115 16.4863 23.7897 TIMING: 1925000 CPU: 5587.35, 0.00288199/step Wall: 5587.35, 0.00288199/step, 2.4617 hours remaining, 208.078125 MB of memory in use. ENERGY: 1925000 758.0440 2120.9706 1963.1692 118.3279 -206459.5953 17920.2248 0.0000 0.0000 34150.7276 -149428.1311 298.2468 -183578.8587 -149337.7808 298.9088 -12.6993 17.0552 557973.2591 5.4690 5.4918 PRESSURE: 1925200 117.647 -40.3343 130.399 -40.3345 -71.335 -79.6626 130.401 -79.662 133.508 GPRESSURE: 1925200 140.796 -53.1654 95.6591 -15.7058 -21.923 -36.6358 145.118 -72.2169 164.941 PRESSAVG: 1925200 -3.80606 7.13119 58.0085 7.13122 -33.7885 -28.2925 58.0084 -28.2925 23.3021 GPRESSAVG: 1925200 -2.56708 6.43382 57.7434 5.23925 -34.7209 -24.1061 58.7927 -26.9423 23.1987 TIMING: 1925200 CPU: 5587.93, 0.00290342/step Wall: 5587.93, 0.00290342/step, 2.47984 hours remaining, 208.078125 MB of memory in use. ENERGY: 1925200 727.0493 2149.6440 1949.7517 113.2735 -206419.1585 17845.2241 0.0000 0.0000 34225.2455 -149408.9705 298.8976 -183634.2160 -149308.8338 298.4871 59.9401 94.6048 557073.1334 -4.7642 -4.6964 PRESSURE: 1925400 11.9494 -89.6219 37.8087 -89.6206 -11.74 49.4196 37.8091 49.4186 112.539 GPRESSURE: 1925400 58.5129 -27.2486 124.89 -60.8198 38.1903 85.444 -23.6618 35.2817 124.138 PRESSAVG: 1925400 20.9039 -29.9684 28.3146 -29.9683 -64.977 40.1663 28.3146 40.1663 57.8364 GPRESSAVG: 1925400 21.4067 -29.5978 29.6393 -28.9098 -64.2313 39.3266 27.77 38.0635 56.868 TIMING: 1925400 CPU: 5588.51, 0.0029153/step Wall: 5588.51, 0.0029153/step, 2.48983 hours remaining, 208.078125 MB of memory in use. ENERGY: 1925400 755.5046 2142.5677 1969.9162 113.8291 -206534.3458 17874.2087 0.0000 0.0000 34201.6815 -149476.6380 298.6918 -183678.3195 -149382.2047 298.1720 37.5827 73.6136 555331.0976 4.5878 4.6811 PRESSURE: 1925600 -63.3516 -44.3527 -10.0353 -44.3528 29.8239 31.8661 -10.0372 31.8664 99.2776 GPRESSURE: 1925600 -25.0622 19.0203 6.90442 -171.195 69.5651 46.0702 8.88999 -43.2446 132.189 PRESSAVG: 1925600 0.450715 -0.997032 -46.1963 -0.997039 -10.426 -20.7146 -46.1963 -20.7146 -1.58089 GPRESSAVG: 1925600 -1.53465 -0.418251 -47.188 0.401406 -10.7618 -21.4616 -45.8324 -18.6504 0.216171 TIMING: 1925600 CPU: 5589.09, 0.00290699/step Wall: 5589.09, 0.00290699/step, 2.48257 hours remaining, 208.078125 MB of memory in use. ENERGY: 1925600 746.1788 2110.5755 1964.3531 106.2209 -206696.5206 17967.3578 0.0000 0.0000 34323.2630 -149478.5716 299.7536 -183801.8346 -149381.3048 298.5413 21.9166 58.8972 556754.1145 -3.8520 -4.0268 PRESSURE: 1925800 -85.8014 -72.7765 109.258 -72.7765 -77.9718 -71.1876 109.257 -71.1865 36.8764 GPRESSURE: 1925800 -66.3215 -69.1512 164.056 -104.269 -3.7474 -49.0097 6.33056 -33.8981 37.4937 PRESSAVG: 1925800 -65.6861 17.7679 47.0263 17.7678 57.311 -36.7234 47.0262 -36.7234 -2.21997 GPRESSAVG: 1925800 -64.2326 17.0462 47.8098 16.964 56.8494 -37.5565 45.3885 -35.7946 -2.92717 TIMING: 1925800 CPU: 5589.67, 0.0029032/step Wall: 5589.67, 0.0029032/step, 2.47917 hours remaining, 208.078125 MB of memory in use. ENERGY: 1925800 755.9651 2107.5647 1959.3009 118.0886 -206917.0181 17991.8929 0.0000 0.0000 34381.9971 -149602.2089 300.2665 -183984.2060 -149505.4005 298.7021 -42.2989 -10.8584 557095.1823 -3.5317 -3.4368 PRESSURE: 1926000 -176.453 31.8486 105.268 31.8482 -156.185 80.484 105.268 80.4827 -25.4255 GPRESSURE: 1926000 -147.152 -84.2784 85.6573 114.535 -130.484 -4.04352 142.008 73.6945 4.03159 PRESSAVG: 1926000 -78.096 -2.19908 58.7425 -2.19907 40.5219 -29.3886 58.7424 -29.3886 73.2438 GPRESSAVG: 1926000 -77.841 -2.13143 58.9181 -3.50819 39.6595 -29.7169 61.147 -30.9096 74.2209 TIMING: 1926000 CPU: 5590.25, 0.00287693/step Wall: 5590.25, 0.00287693/step, 2.45658 hours remaining, 208.078125 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: 1926000 783.3532 2099.3431 1995.2141 116.9059 -206581.3874 17793.8510 0.0000 0.0000 34525.4555 -149267.2646 301.5194 -183792.7201 -149168.0709 299.0175 -119.3547 -91.2014 555998.7690 11.8899 12.0131 PRESSURE: 1926200 -35.1039 -196.746 -69.9359 -196.746 -143.728 -90.5449 -69.9362 -90.5443 -28.2968 GPRESSURE: 1926200 -8.5274 -151.183 36.5661 -160.52 -67.8698 -187.731 -193.572 -66.4906 -23.5166 PRESSAVG: 1926200 -43.698 2.68187 -15.3006 2.68201 19.511 -55.7362 -15.3007 -55.7362 7.08654 GPRESSAVG: 1926200 -45.1997 1.55595 -15.2625 4.05802 20.7087 -56.2089 -17.0606 -55.6529 7.67846 TIMING: 1926200 CPU: 5590.83, 0.00288562/step Wall: 5590.83, 0.00288562/step, 2.46383 hours remaining, 208.078125 MB of memory in use. ENERGY: 1926200 738.4776 2092.4809 1957.0980 116.1253 -206150.0458 17775.8531 0.0000 0.0000 34199.3455 -149270.6653 298.6714 -183470.0108 -149170.6999 299.1872 -69.0430 -33.3046 558123.1626 -5.7001 -5.6042 PRESSURE: 1926400 -136.226 29.3634 -88.2937 29.3633 99.4496 29.82 -88.2944 29.8188 108.464 GPRESSURE: 1926400 -60.6416 83.2064 -138.809 18.7717 99.3134 -22.407 -84.1724 145.011 146.505 PRESSAVG: 1926400 -92.443 -13.1688 -57.588 -13.1689 41.1536 -52.1687 -57.5879 -52.1687 82.5361 GPRESSAVG: 1926400 -92.5548 -12.5346 -57.5588 -12.4807 41.4276 -52.4997 -56.4929 -50.6426 81.6297 TIMING: 1926400 CPU: 5591.41, 0.00290256/step Wall: 5591.41, 0.00290256/step, 2.47814 hours remaining, 208.078125 MB of memory in use. ENERGY: 1926400 736.2438 2122.4752 1951.9306 111.9441 -206039.2456 17828.5974 0.0000 0.0000 34201.4320 -149086.6224 298.6896 -183288.0545 -148998.6632 299.4651 23.8959 61.7256 556822.8868 10.4156 10.1675 PRESSURE: 1926600 -5.12028 -10.6692 -95.6981 -10.669 -291.266 30.7868 -95.6986 30.7853 -193.285 GPRESSURE: 1926600 16.4531 -96.3552 -107.772 21.5963 -267.102 69.0167 -144.703 38.0264 -170.869 PRESSAVG: 1926600 -17.6125 -19.3345 -43.6679 -19.3345 24.1155 -26.9597 -43.6678 -26.9597 22.6317 GPRESSAVG: 1926600 -16.3654 -20.9965 -40.4138 -19.8518 23.44 -27.7631 -45.3154 -26.2747 22.6967 TIMING: 1926600 CPU: 5591.98, 0.00289016/step Wall: 5591.98, 0.00289016/step, 2.46739 hours remaining, 208.078125 MB of memory in use. ENERGY: 1926600 793.2001 2092.5999 1947.1190 107.2349 -205727.6315 17544.4156 0.0000 0.0000 34372.5179 -148870.5441 300.1837 -183243.0621 -148769.6483 299.6110 -163.2240 -140.5062 559987.4482 9.7116 9.9238 PRESSURE: 1926800 9.51071 -32.0584 71.7011 -32.0592 -64.0177 -73.9473 71.7013 -73.948 -135.132 GPRESSURE: 1926800 35.5101 -35.5254 121.545 -31.1679 -64.6346 -63.3578 107.531 -29.1438 -62.7177 PRESSAVG: 1926800 36.059 8.45349 -16.7019 8.45341 45.4501 30.774 -16.7019 30.774 -52.3984 GPRESSAVG: 1926800 35.7234 9.51 -18.6626 7.75149 45.578 31.9449 -14.0981 29.4448 -52.4235 TIMING: 1926800 CPU: 5592.56, 0.00289505/step Wall: 5592.56, 0.00289505/step, 2.47141 hours remaining, 208.078125 MB of memory in use. ENERGY: 1926800 800.5381 2118.3882 1974.1755 108.0836 -206269.5460 17830.8313 0.0000 0.0000 34362.4848 -149075.0445 300.0961 -183437.5294 -148978.8220 300.3212 -63.2130 -30.6141 558190.9293 9.7036 9.6260 PRESSURE: 1927000 25.7283 32.9858 -116.88 32.9872 -37.2835 -196.566 -116.88 -196.565 -8.25239 GPRESSURE: 1927000 47.9419 0.87411 -229.311 29.8628 21.1035 -222.23 -107.037 -158.848 5.46325 PRESSAVG: 1927000 45.1873 31.2583 16.3977 31.2582 -37.2717 -7.10666 16.3977 -7.10653 -37.6053 GPRESSAVG: 1927000 45.5609 29.9237 15.8157 33.431 -37.175 -7.32765 14.3256 -7.59041 -37.4749 TIMING: 1927000 CPU: 5593.14, 0.0028836/step Wall: 5593.14, 0.0028836/step, 2.46147 hours remaining, 208.078125 MB of memory in use. ENERGY: 1927000 742.2069 2061.7128 1967.5872 124.8451 -206489.2674 18044.3608 0.0000 0.0000 34484.9381 -149063.6165 301.1655 -183548.5546 -148970.1633 299.6807 -6.6025 24.8362 558122.3417 -9.8966 -9.6963 PRESSURE: 1927200 -130.982 198.124 20.1287 198.124 38.3002 -154.508 20.1297 -154.507 -219.172 GPRESSURE: 1927200 -54.4242 111.615 38.1595 145.643 1.72816 -165.402 -13.5074 -119.281 -162.402 PRESSAVG: 1927200 63.6211 62.4534 -69.3787 62.4534 56.7499 -53.2432 -69.3787 -53.2432 -84.3771 GPRESSAVG: 1927200 64.3545 63.8711 -69.4093 60.6968 55.6629 -52.9732 -68.1434 -51.6642 -83.5822 TIMING: 1927200 CPU: 5593.72, 0.00288499/step Wall: 5593.72, 0.00288499/step, 2.4625 hours remaining, 208.078125 MB of memory in use. ENERGY: 1927200 740.4911 2112.2241 1972.8256 120.0736 -205885.3117 17581.6633 0.0000 0.0000 34253.0743 -149104.9596 299.1406 -183358.0339 -149011.1642 299.9849 -103.9514 -71.6992 557151.4651 11.9980 12.1451 PRESSURE: 1927400 129.006 -8.6856 -16.9218 -8.68638 -67.2477 22.4688 -16.9217 22.4686 -247.426 GPRESSURE: 1927400 106.324 -34.8418 -29.3924 -11.5581 -33.1493 46.3656 18.2651 40.8576 -167.281 PRESSAVG: 1927400 47.5937 17.4755 -70.1648 17.4755 -26.2707 3.67983 -70.1649 3.67985 -29.4412 GPRESSAVG: 1927400 47.8728 17.0595 -70.464 17.2285 -25.4157 1.81197 -71.3018 4.71325 -29.9887 TIMING: 1927400 CPU: 5594.29, 0.00288872/step Wall: 5594.29, 0.00288873/step, 2.46553 hours remaining, 208.078125 MB of memory in use. ENERGY: 1927400 749.5227 2058.2355 2006.3996 105.9776 -206325.0935 17735.2367 0.0000 0.0000 34516.5033 -149153.2181 301.4412 -183669.7214 -149059.7193 299.4196 -61.8891 -31.3686 558808.9319 -2.7061 -2.5106 PRESSURE: 1927600 -13.6728 -3.69105 240.171 -3.69136 61.8963 -102.927 240.17 -102.927 -160.985 GPRESSURE: 1927600 77.1183 35.6924 141.374 -40.7542 53.4135 -92.9963 321.668 -91.4317 -139.248 PRESSAVG: 1927600 28.1488 38.1587 -22.9208 38.1588 -74.3294 37.2054 -22.9209 37.2054 14.4019 GPRESSAVG: 1927600 27.0426 39.2871 -23.5812 38.8215 -74.1464 38.6643 -20.6334 35.5458 15.1139 TIMING: 1927600 CPU: 5594.87, 0.00288419/step Wall: 5594.87, 0.00288419/step, 2.46149 hours remaining, 208.078125 MB of memory in use. ENERGY: 1927600 698.9148 2094.5329 2023.8862 116.8056 -205882.1036 17754.8654 0.0000 0.0000 34003.0018 -149190.0968 296.9567 -183193.0986 -149091.9632 299.1176 -37.5871 -2.9053 558430.2229 -10.5929 -10.6633 PRESSURE: 1927800 -238.303 -40.902 -73.7308 -40.9023 -209.364 73.3467 -73.7297 73.3463 223.92 GPRESSURE: 1927800 -211.022 -35.0534 31.9797 21.9983 -172.97 72.9882 -107.017 55.0428 252.042 PRESSAVG: 1927800 -30.3281 -22.6328 33.9157 -22.6328 -44.3395 -44.573 33.9157 -44.5729 34.3511 GPRESSAVG: 1927800 -29.8377 -21.4033 33.0997 -23.3679 -43.5656 -43.5418 31.4775 -44.5949 33.0959 TIMING: 1927800 CPU: 5595.45, 0.00287736/step Wall: 5595.45, 0.00287736/step, 2.45551 hours remaining, 208.078125 MB of memory in use. ENERGY: 1927800 705.7217 2144.5618 1973.9864 103.4817 -205880.1189 17552.7229 0.0000 0.0000 34233.0137 -149166.6307 298.9654 -183399.6444 -149069.6615 299.5479 -74.5826 -43.9834 557637.6138 -13.4388 -13.4358 PRESSURE: 1928000 106.381 -69.8419 47.8599 -69.8424 152.804 -132.797 47.8603 -132.797 -203.42 GPRESSURE: 1928000 181.067 -14.4196 87.9702 -79.4533 94.0591 -134.421 37.7414 -101.246 -122.411 PRESSAVG: 1928000 17.234 -48.8689 14.6908 -48.8688 -42.223 12.713 14.6908 12.7129 26.6138 GPRESSAVG: 1928000 16.5532 -51.1941 17.1495 -45.5271 -42.1495 11.1484 14.4884 12.8908 27.127 TIMING: 1928000 CPU: 5596.02, 0.00288133/step Wall: 5596.02, 0.00288133/step, 2.45874 hours remaining, 208.078125 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: 1928000 718.9306 2094.7874 1982.3619 118.0066 -206359.6046 17772.1414 0.0000 0.0000 34312.0874 -149361.2894 299.6560 -183673.3768 -149264.1609 299.2436 18.5883 50.9050 558967.2453 0.5416 0.5103 PRESSURE: 1928200 246.088 37.3433 122.599 37.3434 109.433 -75.5548 122.598 -75.5559 175.682 GPRESSURE: 1928200 254.376 33.275 134.272 52.7171 114.923 -134.864 119.668 -107.803 253.838 PRESSAVG: 1928200 -18.6283 12.3838 34.4874 12.3837 21.9544 6.97331 34.4873 6.97326 40.184 GPRESSAVG: 1928200 -18.3911 11.464 32.2912 10.419 21.496 7.69454 36.1103 7.67274 40.0864 TIMING: 1928200 CPU: 5596.6, 0.0028963/step Wall: 5596.6, 0.0028963/step, 2.47135 hours remaining, 208.078125 MB of memory in use. ENERGY: 1928200 743.7734 2107.8857 1994.6873 111.2648 -206631.3495 18198.7176 0.0000 0.0000 34136.6847 -149338.3359 298.1242 -183475.0206 -149246.3166 298.8493 177.0677 207.7121 556807.4058 14.5034 14.3971 LDB: ============= START OF LOAD BALANCING ============== 5600.07 LDB: ============== END OF LOAD BALANCING =============== 5600.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5600.07 LDB: ============= START OF LOAD BALANCING ============== 5600.36 LDB: Largest compute 4820 load 0.029800 is 25.3% of average load 0.117796 LDB: Average compute 0.001722 is 1.5% of average load 0.117796 LDB: TIME 5600.36 LOAD: AVG 0.117796 MAX 0.177304 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.621 MB LDB: TIME 5600.36 LOAD: AVG 0.117796 MAX 0.177304 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.648 MB LDB: TIME 5600.36 LOAD: AVG 0.117796 MAX 0.177304 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5600.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5600.36 PRESSURE: 1928400 30.8297 -75.6003 -181.974 -75.5989 20.7676 -163.079 -181.973 -163.08 215.601 GPRESSURE: 1928400 63.4097 -149.794 -234.98 -4.93253 39.9631 -217.648 -41.4021 -146.478 249.139 PRESSAVG: 1928400 -0.738892 32.5749 -4.24889 32.5749 -10.6455 -27.821 -4.24889 -27.821 58.378 GPRESSAVG: 1928400 0.746544 35.0713 -3.39937 31.5693 -12.1433 -27.8257 -4.47373 -29.0529 58.8559 TIMING: 1928400 CPU: 5597.19, 0.00293227/step Wall: 5597.19, 0.00293227/step, 2.50188 hours remaining, 205.105469 MB of memory in use. ENERGY: 1928400 755.2262 2079.5100 1980.6176 124.2469 -206640.9956 18104.6103 0.0000 0.0000 34227.2351 -149369.5494 298.9150 -183596.7845 -149263.9073 299.0532 89.0662 117.5038 558362.8229 15.6645 15.8197 PRESSURE: 1928600 151.325 -133.226 196.089 -133.225 -149.483 120.06 196.088 120.062 55.3216 GPRESSURE: 1928600 204.214 -129.146 219.32 -42.3955 -117.581 44.1588 144.803 128.528 71.2812 PRESSAVG: 1928600 4.36387 -20.3636 -16.7403 -20.3637 40.2899 38.5346 -16.7403 38.5346 -4.94773 GPRESSAVG: 1928600 3.52455 -21.0552 -17.7293 -19.9954 41.9425 37.121 -17.0258 40.0741 -5.82843 TIMING: 1928600 CPU: 5597.76, 0.0028795/step Wall: 5597.76, 0.0028795/step, 2.45669 hours remaining, 205.343750 MB of memory in use. ENERGY: 1928600 757.4474 2091.1297 1995.6731 110.1658 -206223.1192 17816.4730 0.0000 0.0000 34171.9821 -149280.2482 298.4324 -183452.2303 -149182.2782 298.4618 19.0546 52.6381 557896.8789 13.2353 13.2129 PRESSURE: 1928800 -128.001 37.2539 36.8187 37.2547 98.2701 60.0904 36.8185 60.0907 54.9514 GPRESSURE: 1928800 -90.6065 62.2665 54.5843 70.2228 122.617 149.539 54.0204 47.1093 98.4908 PRESSAVG: 1928800 -67.1558 -17.4677 -3.85529 -17.4677 -25.109 -11.878 -3.85527 -11.8778 44.3871 GPRESSAVG: 1928800 -67.6201 -16.9043 -1.68639 -15.572 -25.7127 -10.5837 -4.15726 -12.5621 44.9045 TIMING: 1928800 CPU: 5598.34, 0.00287986/step Wall: 5598.34, 0.00287986/step, 2.45684 hours remaining, 205.343750 MB of memory in use. ENERGY: 1928800 728.5003 2135.7447 1997.1880 103.2273 -206596.6643 17947.2240 0.0000 0.0000 34338.8179 -149345.9621 299.8894 -183684.7801 -149248.0871 298.7479 8.4069 43.5004 556776.7057 -15.9592 -16.1428 PRESSURE: 1929000 15.969 2.99224 -109.016 2.99317 33.966 20.8531 -109.016 20.853 -239.14 GPRESSURE: 1929000 -1.86272 -132.915 -77.2181 24.6675 21.3882 45.5141 -187.605 -31.3196 -120.407 PRESSAVG: 1929000 11.7257 18.3717 0.55339 18.3717 -26.7499 -10.0299 0.553277 -10.0299 31.4845 GPRESSAVG: 1929000 11.0377 16.9756 -1.73481 16.4938 -26.4055 -11.3638 1.21631 -10.465 31.991 TIMING: 1929000 CPU: 5598.92, 0.00289432/step Wall: 5598.92, 0.00289432/step, 2.46902 hours remaining, 205.343750 MB of memory in use. ENERGY: 1929000 799.2850 2200.6198 1960.7201 98.5327 -206389.9691 17805.5972 0.0000 0.0000 34178.6299 -149346.5844 298.4905 -183525.2143 -149242.3089 299.2227 -63.0682 -33.6271 556574.1874 5.4868 5.5411 PRESSURE: 1929200 -240.862 -152.28 -24.9547 -152.279 -7.54829 -48.3054 -24.9559 -48.3056 130.011 GPRESSURE: 1929200 -191.458 -146.297 -18.6614 -138.518 3.02738 -37.5252 -80.0923 -48.5653 163.947 PRESSAVG: 1929200 6.75185 25.4965 -8.32587 25.4964 26.5098 -7.32386 -8.32598 -7.32381 36.1007 GPRESSAVG: 1929200 7.61503 24.8332 -6.00404 27.1034 25.6385 -5.82638 -10.2113 -9.52038 36.6416 TIMING: 1929200 CPU: 5599.49, 0.00287561/step Wall: 5599.49, 0.00287561/step, 2.45289 hours remaining, 205.546875 MB of memory in use. ENERGY: 1929200 796.9858 2121.5786 1970.3188 124.9438 -206458.7229 17912.4067 0.0000 0.0000 34287.2555 -149245.2336 299.4391 -183532.4892 -149150.0238 299.7442 -39.4665 -8.1614 556363.8983 23.1208 23.2984 PRESSURE: 1929400 91.4073 78.7783 -85.109 78.777 -225.46 146.557 -85.1083 146.557 148.431 GPRESSURE: 1929400 115.231 115.084 -117.308 57.1885 -143.162 122.015 -12.8575 91.6981 152.646 PRESSAVG: 1929400 54.2187 13.8043 7.56256 13.8042 9.73934 32.1208 7.56248 32.1211 -20.9979 GPRESSAVG: 1929400 54.9975 15.9621 4.8036 12.5556 10.9934 31.5869 9.8512 33.0595 -22.7376 TIMING: 1929400 CPU: 5600.07, 0.00289205/step Wall: 5600.07, 0.00289205/step, 2.46676 hours remaining, 205.546875 MB of memory in use. ENERGY: 1929400 748.8373 2132.5712 1975.2009 120.4038 -206589.3765 17979.4392 0.0000 0.0000 34344.2861 -149288.6380 299.9372 -183632.9241 -149202.7803 299.3791 4.7928 41.5719 557632.2746 14.3200 14.4178 PRESSURE: 1929600 138.666 32.4546 -39.7099 32.4544 110.818 -151.334 -39.7103 -151.331 114.948 GPRESSURE: 1929600 229.249 68.1316 -210.47 85.6184 144.06 -146.316 -24.6929 -132.528 90.8103 PRESSAVG: 1929600 -9.1696 34.74 -65.727 34.74 14.0591 -65.9745 -65.727 -65.9744 10.4092 GPRESSAVG: 1929600 -9.3382 34.0066 -64.2046 33.5997 13.5698 -64.8865 -67.9121 -67.4169 10.7482 TIMING: 1929600 CPU: 5600.65, 0.00288891/step Wall: 5600.65, 0.00288891/step, 2.46392 hours remaining, 205.546875 MB of memory in use. ENERGY: 1929600 780.0110 2168.2479 1960.4168 115.6626 -206629.1180 18038.2119 0.0000 0.0000 34340.2533 -149226.3144 299.9020 -183566.5677 -149125.6764 299.1965 121.4774 154.7063 556630.6161 5.0996 4.9933 PRESSURE: 1929800 -337.347 -12.7909 -6.67309 -12.7908 -354.357 -153.857 -6.67388 -153.857 -305.084 GPRESSURE: 1929800 -250.915 -13.8628 63.7788 -115.157 -351.09 -186.349 -112.221 -119.139 -311.737 PRESSAVG: 1929800 -30.1016 31.4127 8.19674 31.4128 -7.12675 0.744853 8.19674 0.744702 51.1003 GPRESSAVG: 1929800 -31.2827 31.5573 8.80169 33.6638 -7.06467 -1.09951 7.23162 2.59811 52.2637 TIMING: 1929800 CPU: 5601.23, 0.00289691/step Wall: 5601.23, 0.00289691/step, 2.47058 hours remaining, 205.546875 MB of memory in use. ENERGY: 1929800 794.7975 2083.6731 1963.0366 118.9864 -206118.8329 17640.6610 0.0000 0.0000 34254.0669 -149263.6115 299.1493 -183517.6784 -149160.3939 298.8681 -332.2627 -304.5807 559381.6985 4.6240 4.6388 PRESSURE: 1930000 -358.087 -151.261 163.29 -151.26 -185.744 -212.214 163.289 -212.215 109.938 GPRESSURE: 1930000 -273.91 -242.427 85.0823 -35.6009 -135.055 -133.523 235.19 -181.552 88.1822 PRESSAVG: 1930000 -45.4675 -9.17333 -15.0174 -9.17334 3.50246 -43.7977 -15.0175 -43.7975 44.1992 GPRESSAVG: 1930000 -43.7257 -9.32813 -16.4369 -10.4919 2.76675 -43.9413 -12.6958 -42.4616 43.2757 TIMING: 1930000 CPU: 5601.81, 0.00289536/step Wall: 5601.81, 0.00289536/step, 2.4691 hours remaining, 205.546875 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: 1930000 751.3932 2078.1735 1975.9006 112.7023 -206025.5160 17651.6880 0.0000 0.0000 34240.9420 -149214.7166 299.0347 -183455.6586 -149122.3342 298.8902 -144.6312 -106.9274 557825.0891 0.7447 0.7722 PRESSURE: 1930200 104.488 29.5869 -6.47015 29.5866 -119.101 -42.0454 -6.46908 -42.0441 169.221 GPRESSURE: 1930200 116.198 -0.0318155 -45.9851 -0.252157 -74.7939 113.919 52.2842 -79.9877 222.261 PRESSAVG: 1930200 -59.123 -38.4366 6.40918 -38.4367 -20.35 -10.39 6.40933 -10.3899 58.9249 GPRESSAVG: 1930200 -59.9081 -39.3 7.87501 -35.5934 -19.322 -9.79637 5.6839 -10.5206 58.704 TIMING: 1930200 CPU: 5602.38, 0.00287143/step Wall: 5602.38, 0.00287143/step, 2.44853 hours remaining, 205.546875 MB of memory in use. ENERGY: 1930200 704.3059 2154.4339 1987.0469 113.5954 -206176.9754 17863.7609 0.0000 0.0000 34257.2012 -149096.6314 299.1767 -183353.8325 -149008.7631 299.1751 51.5359 87.8882 556834.5774 -6.8493 -6.8420 PRESSURE: 1930400 -167.37 143.319 13.6934 143.318 -222.959 -77.0506 13.6927 -77.049 -137.871 GPRESSURE: 1930400 -125.671 169.737 66.9037 76.027 -209.246 35.2353 -34.2056 -63.2143 -94.9162 PRESSAVG: 1930400 10.848 -32.6751 11.8125 -32.6751 -58.9559 -13.6438 11.8126 -13.6437 40.2129 GPRESSAVG: 1930400 11.7764 -33.8473 10.1455 -33.7255 -59.2688 -13.7283 13.7897 -12.7683 40.0068 TIMING: 1930400 CPU: 5602.96, 0.00289692/step Wall: 5602.96, 0.00289692/step, 2.4701 hours remaining, 205.546875 MB of memory in use. ENERGY: 1930400 738.9645 2005.4583 1968.7773 119.0605 -206102.2705 17575.2808 0.0000 0.0000 34539.9499 -149154.7792 301.6460 -183694.7291 -149058.2816 299.5436 -176.0664 -143.2779 557247.3495 -2.6316 -2.4952 PRESSURE: 1930600 218.046 -25.1937 -138.921 -25.1936 7.27106 149.678 -138.921 149.677 57.2345 GPRESSURE: 1930600 256.936 -54.5466 -78.6862 6.68493 15.2559 104.06 -231.977 63.54 115.989 PRESSAVG: 1930600 41.9101 37.1757 9.75212 37.1758 -0.534131 -30.2548 9.75209 -30.2548 5.42685 GPRESSAVG: 1930600 39.7751 40.3008 10.3334 34.9674 -1.19671 -29.9467 7.17424 -32.0249 7.97849 TIMING: 1930600 CPU: 5603.54, 0.0028827/step Wall: 5603.54, 0.0028827/step, 2.45782 hours remaining, 205.546875 MB of memory in use. ENERGY: 1930600 724.6454 2080.0588 1971.3459 114.0602 -206367.3429 18033.5758 0.0000 0.0000 34294.2024 -149149.4544 299.4998 -183443.6568 -149050.2055 299.0423 94.1837 129.3934 556332.8889 15.6010 15.5190 PRESSURE: 1930800 -14.133 -25.6901 -58.4373 -25.6894 -187.185 -10.1985 -58.4375 -10.1965 -15.637 GPRESSURE: 1930800 -23.4633 -29.1954 -48.8854 -27.1202 -122.184 13.5121 -77.3696 -103.27 24.0339 PRESSAVG: 1930800 27.4618 -21.8144 0.708912 -21.8144 -11.7005 3.02577 0.70902 3.02578 26.9873 GPRESSAVG: 1930800 28.3774 -22.9118 1.2126 -20.6306 -10.4659 2.93542 0.952149 3.82946 24.7495 TIMING: 1930800 CPU: 5604.12, 0.00288475/step Wall: 5604.12, 0.00288475/step, 2.45941 hours remaining, 205.546875 MB of memory in use. ENERGY: 1930800 716.4619 2084.5345 1972.3866 125.4496 -205684.1833 17564.8789 0.0000 0.0000 34236.3316 -148984.1401 298.9944 -183220.4718 -148884.9229 299.0551 -72.3182 -40.5379 557881.2477 14.2495 14.2203 PRESSURE: 1931000 34.9162 19.4018 -117.006 19.402 103.825 -2.07847 -117.005 -2.08053 -14.6731 GPRESSURE: 1931000 76.7598 17.4535 -66.1165 25.0345 139.652 49.439 -183.37 19.4081 -13.4595 PRESSAVG: 1931000 26.7485 -40.2958 -32.9407 -40.2957 -59.6759 16.4349 -32.9407 16.4349 56.4115 GPRESSAVG: 1931000 27.2349 -39.7593 -31.4505 -39.0996 -60.3018 15.5367 -33.1266 14.7748 57.3256 TIMING: 1931000 CPU: 5604.69, 0.00288444/step Wall: 5604.69, 0.00288444/step, 2.45899 hours remaining, 205.546875 MB of memory in use. ENERGY: 1931000 772.5879 1998.3737 1980.6808 114.7063 -205907.1480 17570.3338 0.0000 0.0000 34384.6931 -149085.7724 300.2901 -183470.4655 -148981.2135 300.0615 41.3559 67.6506 555630.1784 7.8280 8.0862 PRESSURE: 1931200 -218.645 98.5372 -58.7325 98.5368 -22.2446 -117.803 -58.7331 -117.803 -39.4652 GPRESSURE: 1931200 -161.397 191.175 28.8383 83.5835 -13.3931 -159.36 -63.1385 -112.885 1.41847 PRESSAVG: 1931200 -15.0515 87.3707 24.4981 87.3706 -6.62433 20.9657 24.4981 20.9657 23.4725 GPRESSAVG: 1931200 -14.8655 85.096 23.5784 87.1714 -6.38425 22.2879 23.0801 22.0442 23.1842 TIMING: 1931200 CPU: 5605.27, 0.0028779/step Wall: 5605.27, 0.0028779/step, 2.45325 hours remaining, 205.546875 MB of memory in use. ENERGY: 1931200 763.7892 2103.6708 1931.9990 119.3547 -205735.4350 17554.6816 0.0000 0.0000 34106.5387 -149155.4010 297.8609 -183261.9397 -149057.1458 299.5123 -93.4517 -57.7905 557577.7215 0.5989 0.6448 PRESSURE: 1931400 -254.064 12.2513 20.6715 12.2511 -10.9003 68.6097 20.6734 68.6105 -178.99 GPRESSURE: 1931400 -229.972 -9.29333 -49.803 -45.6854 -26.7562 20.2147 49.1244 51.1711 -95.0443 PRESSAVG: 1931400 -37.6834 38.5566 18.142 38.5566 -13.1497 -35.0481 18.142 -35.0483 25.6418 GPRESSAVG: 1931400 -38.4494 38.4441 18.6536 40.0037 -13.2307 -36.2614 20.7371 -35.6623 26.2166 TIMING: 1931400 CPU: 5605.84, 0.00286928/step Wall: 5605.84, 0.00286928/step, 2.44575 hours remaining, 205.546875 MB of memory in use. ENERGY: 1931400 764.0999 2100.8785 1944.3342 116.9437 -206154.5671 17628.8118 0.0000 0.0000 34192.1251 -149407.3738 298.6083 -183599.4990 -149311.7938 298.7232 -147.9845 -117.2575 556035.7260 -8.3971 -8.4878 PRESSURE: 1931600 -15.6107 -42.1173 -100.278 -42.1167 12.7685 26.4293 -100.277 26.4281 -82.7902 GPRESSURE: 1931600 -3.9363 16.586 -14.5485 2.9894 81.8225 -1.41386 -124.07 45.0081 -78.1394 PRESSAVG: 1931600 -58.589 -30.6561 44.337 -30.6561 -3.02967 1.63034 44.337 1.63035 53.6089 GPRESSAVG: 1931600 -57.9121 -28.6623 43.5021 -33.0506 -2.81587 2.3536 44.6642 1.37611 52.3028 TIMING: 1931600 CPU: 5606.42, 0.0028659/step Wall: 5606.42, 0.0028659/step, 2.44271 hours remaining, 205.546875 MB of memory in use. ENERGY: 1931600 765.0228 2126.0404 1949.3642 114.2776 -206365.8591 17665.4419 0.0000 0.0000 34230.9119 -149514.8004 298.9471 -183745.7123 -149418.2669 298.6947 -28.5441 -0.0844 555690.8896 -2.6699 -2.8084 PRESSURE: 1931800 245.822 160.648 -109.043 160.649 416.169 78.3719 -109.043 78.3718 221.644 GPRESSURE: 1931800 228.85 228.079 -82.1282 98.4105 466.753 16.7869 -32.7409 6.69533 293.004 PRESSAVG: 1931800 68.7777 -11.6163 53.0839 -11.6163 -42.8595 -23.858 53.084 -23.8579 32.6887 GPRESSAVG: 1931800 68.0308 -10.9674 50.4445 -11.202 -42.4311 -23.4565 53.9655 -24.0761 33.4857 TIMING: 1931800 CPU: 5606.99, 0.00288303/step Wall: 5606.99, 0.00288303/step, 2.45714 hours remaining, 205.546875 MB of memory in use. ENERGY: 1931800 694.9778 2140.5903 1956.7698 120.3506 -206604.2455 18115.2644 0.0000 0.0000 34183.2875 -149393.0051 298.5312 -183576.2926 -149299.0332 298.6219 294.5451 329.5359 555306.5176 19.5356 19.6951 PRESSURE: 1932000 57.0306 -189.854 -103.967 -189.852 32.4373 -343.88 -103.967 -343.88 165.142 GPRESSURE: 1932000 135.154 -246.273 -134.291 -155.183 46.8423 -254.106 -45.6715 -419.395 166.577 PRESSAVG: 1932000 46.1688 -23.0595 43.8944 -23.0595 -90.1732 -38.5743 43.8944 -38.5743 36.07 GPRESSAVG: 1932000 48.2706 -23.4163 46.3992 -23.6591 -91.2262 -37.1956 41.239 -40.4086 34.8934 TIMING: 1932000 CPU: 5607.57, 0.00289392/step Wall: 5607.57, 0.00289392/step, 2.46626 hours remaining, 205.546875 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: 1932000 709.6552 2084.5118 1960.2183 120.8242 -206318.3068 17915.9939 0.0000 0.0000 34206.6339 -149320.4694 298.7350 -183527.1034 -149224.1097 298.4995 84.8700 116.1911 557047.7034 -2.6448 -2.6874 PRESSURE: 1932200 48.5754 32.6225 89.4078 32.6226 254.733 -116.238 89.407 -116.238 56.989 GPRESSURE: 1932200 51.0975 124.641 60.9648 -9.23521 267.622 -146.11 103.767 -79.3018 133.35 PRESSAVG: 1932200 35.6339 -58.6064 2.85504 -58.6064 -30.3857 -31.9777 2.85494 -31.9776 -39.7977 GPRESSAVG: 1932200 33.6321 -57.4903 2.15324 -58.7636 -29.2767 -33.6707 3.1211 -30.1629 -38.5949 TIMING: 1932200 CPU: 5608.15, 0.00288126/step Wall: 5608.15, 0.00288126/step, 2.45532 hours remaining, 205.546875 MB of memory in use. ENERGY: 1932200 721.4705 2101.4740 1992.6889 121.5583 -206432.4928 17972.9619 0.0000 0.0000 34278.2895 -149244.0497 299.3608 -183522.3392 -149152.6745 298.4718 120.0991 150.6899 556628.7587 -11.5165 -11.4132 LDB: ============= START OF LOAD BALANCING ============== 5611.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5611.61 LDB: =============== DONE WITH MIGRATION ================ 5611.61 LDB: ============= START OF LOAD BALANCING ============== 5611.9 LDB: Largest compute 4820 load 0.029029 is 24.6% of average load 0.117793 LDB: Average compute 0.001723 is 1.5% of average load 0.117793 LDB: TIME 5611.9 LOAD: AVG 0.117793 MAX 0.177719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 5611.9 LOAD: AVG 0.117793 MAX 0.177719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: TIME 5611.91 LOAD: AVG 0.117793 MAX 0.177719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5611.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5611.91 PRESSURE: 1932400 -224.785 -73.905 39.7427 -73.9047 -102.503 56.8869 39.745 56.8867 -173.266 GPRESSURE: 1932400 -188.58 -114.808 59.6825 -65.1168 -95.4559 118.717 17.4614 65.8111 -127.971 PRESSAVG: 1932400 -3.41137 -41.5978 -2.3492 -41.5977 -2.0434 30.6928 -2.34914 30.6928 18.884 GPRESSAVG: 1932400 -2.66253 -42.152 -2.7963 -43.2784 -2.50806 33.8686 -1.30231 30.7783 18.2575 TIMING: 1932400 CPU: 5608.74, 0.00294027/step Wall: 5608.74, 0.00294027/step, 2.50543 hours remaining, 205.363281 MB of memory in use. ENERGY: 1932400 768.1794 2101.4804 1991.7007 109.3125 -206146.9267 17583.8403 0.0000 0.0000 34364.9574 -149227.4561 300.1177 -183592.4135 -149134.8907 299.1780 -166.8515 -137.3355 557061.1277 4.4764 4.3623 PRESSURE: 1932600 -94.9806 38.7337 -273.714 38.7336 49.6981 35.5758 -273.714 35.5764 303.669 GPRESSURE: 1932600 17.8003 -27.155 -219.6 87.6502 53.4659 14.5712 -256.06 66.5329 279.37 PRESSAVG: 1932600 15.3351 6.89214 -22.705 6.89209 -8.81144 1.49571 -22.705 1.49577 32.9406 GPRESSAVG: 1932600 15.088 4.93418 -19.9181 10.208 -7.86815 -3.22944 -25.3116 3.5176 32.7319 TIMING: 1932600 CPU: 5609.31, 0.00288699/step Wall: 5609.31, 0.00288699/step, 2.45988 hours remaining, 205.363281 MB of memory in use. ENERGY: 1932600 737.6583 2133.3237 1987.7742 106.9592 -206315.6729 18052.0544 0.0000 0.0000 34149.2490 -149148.6541 298.2339 -183297.9031 -149050.9689 298.7284 86.1289 116.8788 558341.1995 13.1547 13.3172 PRESSURE: 1932800 -189.491 65.4998 84.8648 65.4992 -170.875 85.1074 84.8665 85.1072 -79.0439 GPRESSURE: 1932800 -125.211 114.528 12.2385 -4.24868 -120.64 49.1532 159.921 146.978 -101.866 PRESSAVG: 1932800 -19.3015 1.9313 -7.51238 1.93129 -12.4772 2.90643 -7.5123 2.90645 15.0342 GPRESSAVG: 1932800 -19.5483 3.83281 -10.4302 -0.0110322 -12.7868 4.1202 -4.90767 1.77868 16.315 TIMING: 1932800 CPU: 5609.89, 0.00287849/step Wall: 5609.89, 0.00287849/step, 2.45247 hours remaining, 205.566406 MB of memory in use. ENERGY: 1932800 745.4078 2133.0095 1965.5632 116.1960 -206169.2376 17756.4707 0.0000 0.0000 34321.8684 -149130.7219 299.7414 -183452.5904 -149037.9765 298.9579 -146.4700 -115.9056 559166.9175 -5.5815 -5.3400 PRESSURE: 1933000 -176.473 55.9884 65.6852 55.9878 -25.1642 -8.00336 65.6856 -8.00325 -61.1224 GPRESSURE: 1933000 -112.852 54.273 17.9218 -19.7992 -40.7746 34.2216 94.7448 -39.4014 -3.81022 PRESSAVG: 1933000 -15.5045 25.6563 38.238 25.6564 16.6449 33.6545 38.2379 33.6544 14.3992 GPRESSAVG: 1933000 -14.5495 24.868 37.6862 23.9703 16.6927 32.8491 40.0251 34.3301 13.8649 TIMING: 1933000 CPU: 5610.47, 0.00288957/step Wall: 5610.47, 0.00288957/step, 2.46175 hours remaining, 205.566406 MB of memory in use. ENERGY: 1933000 701.4411 2176.9278 1966.7057 129.1166 -206132.4046 17700.4728 0.0000 0.0000 34179.3031 -149278.4374 298.4964 -183457.7406 -149189.3023 298.6848 -87.5865 -52.4788 559243.4297 5.1799 5.3361 PRESSURE: 1933200 77.0241 -122.846 63.7557 -122.846 -91.5911 26.3556 63.7557 26.3566 27.4451 GPRESSURE: 1933200 69.8421 -201.017 61.8592 -16.7475 -7.73426 67.7935 42.0697 18.1345 30.9071 PRESSAVG: 1933200 -3.6355 5.86657 14.7739 5.86655 68.8166 -2.81492 14.7739 -2.81496 -94.0853 GPRESSAVG: 1933200 -3.5678 5.51906 16.4862 6.19966 68.6041 -0.600832 13.7198 -6.39166 -93.4516 TIMING: 1933200 CPU: 5611.04, 0.00288551/step Wall: 5611.04, 0.00288551/step, 2.45814 hours remaining, 205.566406 MB of memory in use. ENERGY: 1933200 713.3518 2073.6171 1999.1821 123.9734 -206229.7745 17835.9358 0.0000 0.0000 34326.6851 -149157.0292 299.7835 -183483.7143 -149058.1136 298.9292 4.2927 31.0050 558803.3567 -9.6348 -9.4717 PRESSURE: 1933400 -501.584 79.7064 38.5498 79.7058 329.169 -10.8732 38.5497 -10.8744 -102.288 GPRESSURE: 1933400 -463.625 -2.26288 16.4346 9.71198 306.02 10.0361 3.47497 70.4258 -21.8272 PRESSAVG: 1933400 13.6406 -29.8272 -26.8236 -29.8272 76.4601 -10.2663 -26.8235 -10.2663 -66.6179 GPRESSAVG: 1933400 13.0119 -32.3433 -25.1641 -27.7635 76.2826 -12.7395 -28.6127 -6.67621 -65.6236 TIMING: 1933400 CPU: 5611.62, 0.00287755/step Wall: 5611.62, 0.00287755/step, 2.45119 hours remaining, 205.566406 MB of memory in use. ENERGY: 1933400 744.9048 2061.2990 1976.6676 110.8087 -206208.3615 17792.9850 0.0000 0.0000 34383.1257 -149138.5707 300.2764 -183521.6964 -149040.5801 299.2910 -91.5678 -59.8110 560087.4998 7.8276 7.8903 PRESSURE: 1933600 102.901 81.6482 -303.147 81.6475 84.3338 -164.741 -303.146 -164.74 -108.711 GPRESSURE: 1933600 108.235 13.5486 -295.591 121.97 121.514 -132.889 -233.855 -149.702 -54.9609 PRESSAVG: 1933600 -24.2564 17.9331 -16.3554 17.9332 22.2825 -7.36904 -16.3553 -7.3691 -38.7152 GPRESSAVG: 1933600 -24.6994 19.4554 -16.7478 14.7728 24.0125 -6.12864 -16.553 -7.76067 -40.2028 TIMING: 1933600 CPU: 5612.2, 0.00289685/step Wall: 5612.2, 0.00289685/step, 2.46748 hours remaining, 205.628906 MB of memory in use. ENERGY: 1933600 704.3845 2025.4593 1989.8469 117.5717 -206351.0361 18020.0632 0.0000 0.0000 34353.1151 -149140.5953 300.0143 -183493.7104 -149041.3893 299.9758 26.1746 58.2626 558292.2582 -13.5630 -13.6299 PRESSURE: 1933800 -174.606 -30.3144 -84.0206 -30.3142 11.4109 53.7127 -84.0212 53.7145 74.705 GPRESSURE: 1933800 -194.192 -18.8963 -99.5519 -7.27462 94.4082 90.4002 -75.4143 61.4814 99.6251 PRESSAVG: 1933800 -65.9321 -4.16128 -29.9085 -4.16133 -22.8719 -23.3927 -29.9084 -23.3927 70.7755 GPRESSAVG: 1933800 -65.4364 -4.18414 -30.3127 -1.14742 -22.9634 -24.9143 -28.8596 -23.639 70.6208 TIMING: 1933800 CPU: 5612.78, 0.00289994/step Wall: 5612.78, 0.00289994/step, 2.46995 hours remaining, 205.628906 MB of memory in use. ENERGY: 1933800 768.0858 2067.3026 1974.5192 106.0957 -206343.9378 17876.7657 0.0000 0.0000 34447.5133 -149103.6555 300.8387 -183551.1688 -149003.8285 299.7879 -29.4968 -0.0528 558392.1203 -6.0095 -5.9263 PRESSURE: 1934000 7.02693 16.2454 132.987 16.2465 52.5355 -2.07665 132.986 -2.07689 -235.757 GPRESSURE: 1934000 40.241 26.3374 137.109 52.107 62.0413 -2.66993 60.8502 -70.4282 -184.895 PRESSAVG: 1934000 -15.7871 -33.7619 48.7924 -33.7618 1.21647 -17.4778 48.7922 -17.4778 37.1735 GPRESSAVG: 1934000 -15.2858 -33.6613 48.0582 -34.8619 0.745597 -13.9206 48.0766 -17.955 36.757 TIMING: 1934000 CPU: 5613.35, 0.00287519/step Wall: 5613.35, 0.00287519/step, 2.4487 hours remaining, 205.628906 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: 1934000 760.6942 2106.8009 1988.8228 118.8000 -206146.8188 17756.9243 0.0000 0.0000 34318.6738 -149096.1028 299.7135 -183414.7766 -148993.6435 299.6171 -58.7315 -27.5377 555920.9678 7.5343 7.4056 PRESSURE: 1934200 -95.8214 -74.1137 -107.448 -74.1137 -88.4294 24.8014 -107.447 24.7992 -44.3434 GPRESSURE: 1934200 -102.858 -91.2759 -121.016 -109.936 -24.6998 -19.1461 -99.8724 68.1321 -6.17618 PRESSAVG: 1934200 -31.3207 -24.9407 27.9498 -24.9406 39.4557 -11.1467 27.9498 -11.1467 -27.799 GPRESSAVG: 1934200 -32.4392 -25.5367 28.8325 -23.5725 40.3535 -13.7176 27.7471 -9.49004 -28.1349 TIMING: 1934200 CPU: 5613.93, 0.00287355/step Wall: 5613.93, 0.00287355/step, 2.44715 hours remaining, 205.628906 MB of memory in use. ENERGY: 1934200 732.1207 2162.2422 1965.3052 111.6633 -206058.2392 17561.7689 0.0000 0.0000 34355.4092 -149169.7296 300.0343 -183525.1389 -149066.0174 299.3767 -76.1981 -44.5781 555889.0878 -6.5547 -6.7402 PRESSURE: 1934400 -28.9017 50.1847 -8.21517 50.1839 -74.2242 -106.146 -8.21617 -106.147 13.3337 GPRESSURE: 1934400 -47.8121 36.8024 -88.5182 114.105 25.5828 -108.295 44.9032 -67.5344 25.496 PRESSAVG: 1934400 53.551 49.882 -39.4394 49.8819 -49.3801 -41.2847 -39.4393 -41.2847 -5.463 GPRESSAVG: 1934400 53.9785 50.4569 -38.5726 48.5132 -51.1902 -41.1536 -41.158 -41.4651 -4.49485 TIMING: 1934400 CPU: 5614.5, 0.00287791/step Wall: 5614.5, 0.00287791/step, 2.4507 hours remaining, 205.628906 MB of memory in use. ENERGY: 1934400 820.3473 2088.4221 1942.9003 129.3269 -206216.2878 17695.1626 0.0000 0.0000 34271.2913 -149268.8372 299.2997 -183540.1285 -149177.9466 299.8664 -29.9308 1.0889 555332.8329 -0.4307 -0.5689 PRESSURE: 1934600 44.2702 128.913 67.9194 128.915 -113.762 28.0432 67.9202 28.0414 -39.211 GPRESSURE: 1934600 -16.6925 157.797 20.8721 99.8643 -74.7779 70.5232 55.5369 6.45926 82.6281 PRESSAVG: 1934600 9.48585 35.378 -18.3815 35.3781 -22.3481 -21.6289 -18.3815 -21.629 -20.7632 GPRESSAVG: 1934600 9.32884 35.3077 -17.9828 37.1054 -22.2796 -21.3413 -16.2639 -21.7977 -21.4818 TIMING: 1934600 CPU: 5615.08, 0.0028759/step Wall: 5615.08, 0.0028759/step, 2.44883 hours remaining, 205.628906 MB of memory in use. ENERGY: 1934600 742.7449 2071.8401 1965.7892 109.4171 -206498.3475 17744.7402 0.0000 0.0000 34391.8057 -149472.0103 300.3522 -183863.8159 -149371.7478 298.8455 -36.2342 -2.9474 556784.6643 -11.2085 -11.4775 PRESSURE: 1934800 -330.253 -16.3647 118.135 -16.3647 -147.672 -39.9731 118.136 -39.9719 30.8389 GPRESSURE: 1934800 -237.466 22.1484 136.399 -11.9242 -167.255 -71.067 235.12 -13.3653 52.1954 PRESSAVG: 1934800 44.8861 30.5906 12.4706 30.5906 -0.0459454 31.1255 12.4706 31.1255 7.33915 GPRESSAVG: 1934800 44.2378 30.4902 12.8024 30.5616 -1.01617 31.3851 11.1172 32.1538 7.51615 TIMING: 1934800 CPU: 5615.66, 0.00288281/step Wall: 5615.66, 0.00288281/step, 2.45455 hours remaining, 205.691406 MB of memory in use. ENERGY: 1934800 749.0432 2122.6307 1963.1055 112.3576 -206472.4917 17718.2627 0.0000 0.0000 34375.0906 -149432.0014 300.2062 -183807.0920 -149338.6053 298.3605 -149.0287 -117.5086 557097.3002 17.3931 16.9126 PRESSURE: 1935000 -122.382 -16.3531 -12.5815 -16.3524 59.7276 2.85638 -12.5818 2.85756 -214.849 GPRESSURE: 1935000 -103.43 17.1863 27.2715 -13.7553 84.3162 54.2646 -52.2217 -89.918 -171.83 PRESSAVG: 1935000 -4.82889 46.3152 25.3739 46.3152 14.6138 -45.39 25.3739 -45.39 34.206 GPRESSAVG: 1935000 -5.15581 47.1084 26.9511 44.6336 14.5064 -44.1672 26.354 -47.0206 34.9561 TIMING: 1935000 CPU: 5616.24, 0.00290027/step Wall: 5616.24, 0.00290027/step, 2.46926 hours remaining, 205.691406 MB of memory in use. ENERGY: 1935000 735.3722 2052.3181 1971.0060 123.4187 -206278.2661 17751.1411 0.0000 0.0000 34202.2229 -149442.7872 298.6965 -183645.0102 -149348.7024 299.0806 -92.5011 -63.6480 557102.1749 14.6636 14.7689 PRESSURE: 1935200 -92.5859 -2.81548 172.66 -2.81516 -168.713 -3.9019 172.659 -3.90371 33.7676 GPRESSURE: 1935200 -49.4024 -38.8295 122.673 -37.0642 -145.328 -82.6353 159.245 69.3142 55.4012 PRESSAVG: 1935200 65.9775 -1.15291 24.685 -1.15299 -3.15393 -35.274 24.685 -35.2738 -17.0486 GPRESSAVG: 1935200 65.39 -1.04777 21.1984 0.444814 -2.43257 -36.9174 23.6277 -32.2771 -17.3625 TIMING: 1935200 CPU: 5616.81, 0.00285688/step Wall: 5616.81, 0.00285688/step, 2.43216 hours remaining, 205.691406 MB of memory in use. ENERGY: 1935200 777.9651 2083.4453 1960.9128 111.6389 -205976.9519 17612.8345 0.0000 0.0000 34225.9678 -149204.1873 298.9039 -183430.1552 -149110.6901 298.1247 -75.8438 -46.4429 556372.2839 15.2583 15.1983 PRESSURE: 1935400 -9.45955 -94.89 64.0725 -94.8893 -149.365 -67.8393 64.0728 -67.8382 -120.719 GPRESSURE: 1935400 0.968058 -148.464 136.768 5.23977 -93.8938 34.4167 98.8627 -77.1688 -97.9049 PRESSAVG: 1935400 -31.2331 -39.1904 22.8129 -39.1904 14.4235 -22.5971 22.813 -22.5969 47.4345 GPRESSAVG: 1935400 -30.5156 -39.3811 21.7487 -40.944 15.2423 -23.8324 25.8645 -24.0222 46.1424 TIMING: 1935400 CPU: 5617.38, 0.00288096/step Wall: 5617.38, 0.00288096/step, 2.4525 hours remaining, 205.691406 MB of memory in use. ENERGY: 1935400 726.5260 2056.4838 1967.1229 113.5003 -205942.1994 17654.4728 0.0000 0.0000 34160.6810 -149263.4126 298.3337 -183424.0935 -149164.4725 298.5650 -93.1811 -63.6102 558939.3764 10.2083 10.2897 PRESSURE: 1935600 110.27 163.378 -5.26711 163.379 139.513 22.5106 -5.26617 22.5099 47.227 GPRESSURE: 1935600 131.665 72.1215 -29.5082 89.2352 128.877 -59.98 -15.8006 67.5615 134.956 PRESSAVG: 1935600 -30.0361 15.2261 -14.2135 15.226 -9.89787 -60.7997 -14.2135 -60.7997 29.3744 GPRESSAVG: 1935600 -30.0751 14.6425 -11.2879 13.9215 -11.1685 -58.4215 -17.6113 -61.225 30.204 TIMING: 1935600 CPU: 5617.96, 0.00287996/step Wall: 5617.96, 0.00287996/step, 2.45148 hours remaining, 205.691406 MB of memory in use. ENERGY: 1935600 740.4611 2093.5912 1979.0498 118.2376 -206375.2836 17959.8701 0.0000 0.0000 34208.9747 -149275.0991 298.7555 -183484.0738 -149175.5985 298.8540 99.0034 131.8329 557250.5120 -3.5199 -3.6798 PRESSURE: 1935800 -66.1298 -253.299 48.5573 -253.3 -22.4838 39.894 48.5574 39.8933 174.378 GPRESSURE: 1935800 20.9574 -291.058 -104.634 -154.353 -20.3764 37.7914 95.1888 19.5397 177.575 PRESSAVG: 1935800 18.9196 -10.3796 19.2774 -10.3796 -21.7566 13.1039 19.2773 13.1038 7.46477 GPRESSAVG: 1935800 17.8104 -10.3796 18.5766 -8.19445 -21.3208 11.0523 20.9291 15.1865 8.26503 TIMING: 1935800 CPU: 5618.53, 0.00287533/step Wall: 5618.53, 0.00287533/step, 2.44738 hours remaining, 205.691406 MB of memory in use. ENERGY: 1935800 719.8250 2040.8731 1957.6534 108.5134 -205763.9265 17749.7787 0.0000 0.0000 34147.8550 -149039.4278 298.2217 -183187.2829 -148941.9849 298.9112 28.5880 59.3852 558185.0070 1.5426 1.5849 PRESSURE: 1936000 230.892 -84.875 207.421 -84.8738 -38.7768 95.8991 207.421 95.9008 127.861 GPRESSURE: 1936000 248.407 -93.6139 129.87 -57.0219 18.6079 61.9689 197.219 117.985 157.082 PRESSAVG: 1936000 10.295 -22.6082 13.321 -22.6082 4.50817 -37.5237 13.3209 -37.5236 -9.58699 GPRESSAVG: 1936000 11.0316 -21.748 11.9976 -23.8341 4.47071 -34.7714 12.8495 -39.4732 -10.633 TIMING: 1936000 CPU: 5619.1, 0.00285448/step Wall: 5619.1, 0.00285448/step, 2.42948 hours remaining, 205.691406 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: 1936000 698.4156 2069.8513 1962.0404 114.6228 -206107.7937 17916.9431 0.0000 0.0000 34454.9725 -148890.9479 300.9038 -183345.9204 -148792.0362 299.4851 106.6589 141.3658 557147.7228 1.7387 1.6231 PRESSURE: 1936200 -119.026 156.257 -73.0623 156.256 -353.955 -69.784 -73.0633 -69.7836 -14.7278 GPRESSURE: 1936200 -61.7473 141.783 -136.828 78.5727 -341.386 -74.8147 -14.5125 -63.6428 4.47242 PRESSAVG: 1936200 51.2693 -7.18973 30.1796 -7.18969 -64.5522 15.7719 30.1796 15.7719 29.4431 GPRESSAVG: 1936200 51.2063 -6.93311 31.5327 -5.69243 -64.8123 13.8888 29.7004 15.009 29.2716 TIMING: 1936200 CPU: 5619.68, 0.00288094/step Wall: 5619.68, 0.00288094/step, 2.45184 hours remaining, 205.691406 MB of memory in use. ENERGY: 1936200 761.3881 2061.8745 1930.1900 103.0372 -205737.2378 17454.2671 0.0000 0.0000 34428.3418 -148998.1392 300.6713 -183426.4810 -148901.1347 299.6343 -162.5695 -132.8868 558080.5385 5.3867 5.2219 LDB: ============= START OF LOAD BALANCING ============== 5623.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5623.15 LDB: =============== DONE WITH MIGRATION ================ 5623.15 LDB: ============= START OF LOAD BALANCING ============== 5623.44 LDB: Largest compute 4821 load 0.029169 is 24.8% of average load 0.117782 LDB: Average compute 0.001718 is 1.5% of average load 0.117782 LDB: TIME 5623.44 LOAD: AVG 0.117782 MAX 0.175618 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 5623.44 LOAD: AVG 0.117782 MAX 0.175618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.914 MB LDB: TIME 5623.44 LOAD: AVG 0.117782 MAX 0.175618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.914 MB LDB: ============== END OF LOAD BALANCING =============== 5623.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5623.44 PRESSURE: 1936400 180.435 111.408 62.7012 111.409 -70.3291 -162.571 62.7014 -162.573 -38.2239 GPRESSURE: 1936400 194.346 137.051 -29.8582 106.161 -25.3135 -208.651 60.0904 -217.485 -5.47936 PRESSAVG: 1936400 -10.2043 6.82411 20.2784 6.8242 -60.4072 -8.34513 20.2784 -8.34527 -5.49923 GPRESSAVG: 1936400 -11.5735 6.38585 19.4769 5.84523 -59.2209 -7.89414 21.7341 -8.47151 -5.55231 TIMING: 1936400 CPU: 5620.27, 0.00294283/step Wall: 5620.27, 0.00294283/step, 2.50435 hours remaining, 206.386719 MB of memory in use. ENERGY: 1936400 727.0286 2126.2433 1962.8918 112.9684 -206056.8357 17825.4858 0.0000 0.0000 34360.3862 -148941.8315 300.0778 -183302.2176 -148851.4264 299.4427 23.9607 54.5176 558303.4450 -25.3702 -25.4489 PRESSURE: 1936600 -115.74 85.4687 74.4125 85.4676 -40.5029 -111.51 74.4122 -111.509 -73.4096 GPRESSURE: 1936600 -39.471 87.2921 12.2038 112.001 -71.0242 -79.5581 114.536 -139.48 -28.3995 PRESSAVG: 1936600 20.4396 9.60163 -2.96922 9.60166 -8.75044 6.44638 -2.96916 6.44649 21.3387 GPRESSAVG: 1936600 21.4787 8.23474 -3.27192 11.8766 -9.99991 5.59515 -3.70274 7.12254 22.1574 TIMING: 1936600 CPU: 5620.85, 0.0028785/step Wall: 5620.85, 0.0028785/step, 2.44944 hours remaining, 206.386719 MB of memory in use. ENERGY: 1936600 788.1885 2101.9824 1940.3742 112.3053 -205855.6785 17738.0893 0.0000 0.0000 34401.4961 -148773.2428 300.4368 -183174.7388 -148670.7956 300.8166 -76.5508 -46.2982 559057.3770 11.0093 11.2121 PRESSURE: 1936800 -59.7537 -83.3299 0.546211 -83.3297 201.272 64.6116 0.546198 64.6112 -0.407663 GPRESSURE: 1936800 -47.0934 -11.412 27.3734 -93.7931 243.097 102.698 -6.27322 4.74258 30.0184 PRESSAVG: 1936800 -29.2987 48.6785 16.4862 48.6784 -1.13606 -16.9352 16.4863 -16.9352 -17.0301 GPRESSAVG: 1936800 -29.8678 48.8725 16.9777 46.7117 -1.80701 -14.4409 16.1815 -17.3563 -15.5351 TIMING: 1936800 CPU: 5621.43, 0.00290219/step Wall: 5621.43, 0.00290219/step, 2.46944 hours remaining, 206.589844 MB of memory in use. ENERGY: 1936800 731.0898 2152.4326 1962.2349 107.2807 -205909.6006 17898.6018 0.0000 0.0000 34306.2386 -148751.7221 299.6049 -183057.9607 -148652.7287 300.7285 47.0367 75.3407 559238.9137 -15.8216 -15.7366 PRESSURE: 1937000 -217.809 -134.002 -44.9434 -134.001 7.02906 -171.795 -44.9428 -171.795 163.541 GPRESSURE: 1937000 -162.857 -103.838 -13.3129 -121.377 11.743 -94.2218 11.539 -103.926 191.12 PRESSAVG: 1937000 67.3544 -21.0513 41.1456 -21.0513 -46.647 -16.5336 41.1456 -16.5336 -11.6572 GPRESSAVG: 1937000 68.7946 -19.7414 41.1608 -21.3391 -46.6622 -18.1168 41.4644 -15.0885 -13.0497 TIMING: 1937000 CPU: 5622, 0.00289054/step Wall: 5622, 0.00289054/step, 2.45937 hours remaining, 206.589844 MB of memory in use. ENERGY: 1937000 717.2443 2117.9365 2002.2288 116.2668 -205482.8774 17487.7119 0.0000 0.0000 34445.7480 -148595.7412 300.8233 -183041.4892 -148495.1046 300.3858 -15.7464 13.3353 558648.5501 3.0167 3.0276 PRESSURE: 1937200 227.199 -13.7819 -49.7009 -13.7824 -40.7891 40.4884 -49.7001 40.4888 106.93 GPRESSURE: 1937200 248.086 56.6552 -182.611 -123.468 -6.88107 62.9804 23.4518 122.124 139.977 PRESSAVG: 1937200 50.7632 2.26858 -13.3805 2.26854 -39.328 30.7074 -13.3805 30.7073 11.786 GPRESSAVG: 1937200 50.2185 1.81505 -13.423 1.87401 -39.8444 31.1359 -12.4338 29.6656 12.716 TIMING: 1937200 CPU: 5622.59, 0.00291634/step Wall: 5622.59, 0.00291634/step, 2.48116 hours remaining, 206.832031 MB of memory in use. ENERGY: 1937200 743.6740 2079.8104 1998.4480 127.4412 -205888.7817 17919.8324 0.0000 0.0000 34462.8989 -148556.6768 300.9731 -183019.5757 -148466.2394 301.0111 97.7800 127.0608 558603.0298 7.7404 7.6967 PRESSURE: 1937400 189.264 10.1646 -22.9397 10.1643 -299.182 -15.5868 -22.9394 -15.5862 -5.65668 GPRESSURE: 1937400 220.964 -57.0611 -37.1768 -16.0829 -295.01 49.7426 -63.7151 -1.8271 55.1746 PRESSAVG: 1937400 65.5289 -3.4819 -38.588 -3.48184 -39.7339 2.28266 -38.5879 2.28265 -35.8338 GPRESSAVG: 1937400 65.0575 -2.71412 -39.9911 -2.2203 -40.1731 2.62977 -40.3355 2.41126 -35.231 TIMING: 1937400 CPU: 5623.17, 0.00289894/step Wall: 5623.17, 0.00289894/step, 2.4662 hours remaining, 206.832031 MB of memory in use. ENERGY: 1937400 749.3593 2073.0830 1965.4479 109.7812 -205895.1318 17827.5509 0.0000 0.0000 34347.9217 -148821.9879 299.9689 -183169.9096 -148722.5840 300.9922 -38.5246 -6.2905 559210.2206 -3.3463 -3.4489 PRESSURE: 1937600 -283.236 56.2535 -71.574 56.2527 -46.7473 -201.176 -71.5747 -201.177 -127.669 GPRESSURE: 1937600 -178.745 -34.8661 33.8941 26.5408 -85.5975 -150.39 -59.0812 -222.863 -113.396 PRESSAVG: 1937600 -7.1207 51.9547 7.79771 51.9547 -10.0914 -32.7372 7.79773 -32.7373 21.3263 GPRESSAVG: 1937600 -6.73732 49.6323 9.75394 51.8587 -9.95182 -29.6712 8.48109 -34.2502 20.3629 TIMING: 1937600 CPU: 5623.75, 0.00289912/step Wall: 5623.75, 0.00289912/step, 2.46619 hours remaining, 206.832031 MB of memory in use. ENERGY: 1937600 773.8600 2092.4719 1956.0716 110.6555 -205663.1226 17494.9175 0.0000 0.0000 34512.4628 -148722.6832 301.4059 -183235.1461 -148624.6919 300.2447 -152.5507 -125.9130 558488.2665 1.3714 1.2246 PRESSURE: 1937800 -0.497461 -55.461 -113.52 -55.4615 -46.323 71.416 -113.52 71.4163 70.5102 GPRESSURE: 1937800 39.0299 -77.5935 -102.882 -17.1595 -1.66765 98.7948 -62.3285 5.19728 76.9692 PRESSAVG: 1937800 22.1511 51.545 22.2986 51.5449 16.3291 -27.9018 22.2987 -27.9019 -19.0394 GPRESSAVG: 1937800 20.9636 52.7243 20.6122 53.0337 16.0868 -32.532 23.9101 -24.3391 -17.6146 TIMING: 1937800 CPU: 5624.33, 0.00292044/step Wall: 5624.33, 0.00292044/step, 2.48416 hours remaining, 206.832031 MB of memory in use. ENERGY: 1937800 769.2834 2072.8757 1967.2379 108.7271 -205842.5801 17726.5960 0.0000 0.0000 34493.7444 -148704.1157 301.2424 -183197.8601 -148609.4536 300.4327 7.8966 38.1105 558204.1265 6.4803 6.4786 PRESSURE: 1938000 -153.513 -137.585 -130.75 -137.585 30.5458 37.6873 -130.75 37.6873 -207.285 GPRESSURE: 1938000 -106.661 -72.489 -77.0315 -120.634 22.7284 69.7409 -85.5896 -21.512 -134.095 PRESSAVG: 1938000 11.8245 11.7537 -22.8283 11.7536 -53.8696 -24.4624 -22.8283 -24.4624 19.03 GPRESSAVG: 1938000 12.7747 12.7794 -23.1824 9.58536 -53.7822 -23.6743 -22.5595 -26.376 17.9733 TIMING: 1938000 CPU: 5624.91, 0.00289436/step Wall: 5624.91, 0.00289436/step, 2.46181 hours remaining, 206.832031 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: 1938000 773.0083 2017.0122 1975.5543 114.3369 -205591.2598 17481.5449 0.0000 0.0000 34510.9926 -148718.8106 301.3931 -183229.8031 -148618.7520 300.3322 -110.0839 -72.6760 557516.5729 -7.6717 -7.6781 PRESSURE: 1938200 -129.68 67.0277 37.9727 67.0287 -147.474 -26.3129 37.9746 -26.3133 237.968 GPRESSURE: 1938200 -94.3254 91.6324 73.7875 50.6669 -72.5538 4.8525 -99.0533 -58.7128 231.224 PRESSAVG: 1938200 46.7041 -43.9702 -8.87705 -43.9703 -9.83938 -18.0565 -8.87701 -18.0564 0.215589 GPRESSAVG: 1938200 47.3965 -45.5423 -7.16003 -44.7049 -10.4445 -18.6518 -10.5691 -18.415 -0.313199 TIMING: 1938200 CPU: 5625.49, 0.00288901/step Wall: 5625.49, 0.00288901/step, 2.4571 hours remaining, 206.832031 MB of memory in use. ENERGY: 1938200 744.7703 2136.9208 1973.6943 108.5698 -205999.6205 17826.6740 0.0000 0.0000 34393.4588 -148815.5324 300.3666 -183208.9912 -148726.2518 300.0305 -13.0620 21.4482 558114.4531 12.3601 12.2129 PRESSURE: 1938400 -29.0192 -54.8787 -59.6314 -54.8782 46.7484 -178.631 -59.6322 -178.63 -30.6423 GPRESSURE: 1938400 -27.7634 -54.4509 -76.2867 1.30105 104.126 -293.219 18.6339 -87.6597 19.4744 PRESSAVG: 1938400 -39.2978 34.4547 -18.7289 34.4548 42.5594 75.7484 -18.7288 75.7483 4.56431 GPRESSAVG: 1938400 -38.7667 34.1829 -18.6534 36.1617 42.8317 76.2829 -18.1137 75.367 4.20484 TIMING: 1938400 CPU: 5626.06, 0.00288332/step Wall: 5626.06, 0.00288332/step, 2.45211 hours remaining, 206.832031 MB of memory in use. ENERGY: 1938400 729.0626 2105.7860 1969.9136 112.9664 -205750.5976 17719.0879 0.0000 0.0000 34353.6666 -148760.1146 300.0191 -183113.7812 -148659.9862 300.0351 -4.3044 31.9458 558633.6910 2.6086 2.7566 PRESSURE: 1938600 85.4845 -55.9856 -19.3009 -55.9874 -198.857 -44.5509 -19.3005 -44.5515 -113.49 GPRESSURE: 1938600 170.991 16.4693 67.162 -76.1188 -160.173 -49.6676 -73.9032 -50.6495 -142.596 PRESSAVG: 1938600 -14.6848 -43.2992 41.4292 -43.2993 23.0156 -39.9361 41.4292 -39.9363 12.6945 GPRESSAVG: 1938600 -15.7051 -42.2519 39.4549 -43.1204 23.6459 -38.7832 42.3224 -39.2796 13.4719 TIMING: 1938600 CPU: 5626.64, 0.00289753/step Wall: 5626.64, 0.00289753/step, 2.46403 hours remaining, 206.832031 MB of memory in use. ENERGY: 1938600 783.9841 2063.5947 1978.7040 113.0942 -205743.4740 17668.7317 0.0000 0.0000 34354.6094 -148780.7559 300.0273 -183135.3653 -148682.1731 300.6119 -75.6207 -43.9258 556970.2764 7.0084 7.1375 PRESSURE: 1938800 28.6099 22.4556 149.058 22.4554 130.972 142.649 149.058 142.65 295.138 GPRESSURE: 1938800 113.074 -37.8773 172.736 121.991 167.072 73.8698 153.098 233.156 266.775 PRESSAVG: 1938800 67.8241 7.85231 18.3134 7.85223 -42.5388 20.5031 18.3135 20.5031 -7.3736 GPRESSAVG: 1938800 68.0704 7.94026 18.5085 7.33352 -43.1894 19.9036 18.1239 19.3522 -7.3062 TIMING: 1938800 CPU: 5627.22, 0.00289892/step Wall: 5627.22, 0.00289892/step, 2.46505 hours remaining, 206.832031 MB of memory in use. ENERGY: 1938800 711.1300 2093.5150 1969.0297 125.4692 -205946.6667 17833.1394 0.0000 0.0000 34237.7420 -148976.6414 299.0067 -183214.3834 -148880.6817 300.4875 151.5734 182.3070 557218.7860 5.9706 5.8583 PRESSURE: 1939000 152.993 17.7535 149.078 17.7529 194.855 108.623 149.077 108.623 -97.6144 GPRESSURE: 1939000 154.245 67.3811 166.459 1.86814 153.329 94.8799 131.828 68.409 34.8983 PRESSAVG: 1939000 6.08565 -7.15065 25.6997 -7.15061 30.7557 30.2573 25.6997 30.2573 -4.12673 GPRESSAVG: 1939000 5.46216 -7.62356 26.7803 -6.0503 30.7678 31.5049 24.7668 30.1426 -3.81739 TIMING: 1939000 CPU: 5627.8, 0.00289346/step Wall: 5627.8, 0.00289346/step, 2.46025 hours remaining, 206.832031 MB of memory in use. ENERGY: 1939000 741.1051 2118.8475 1957.8747 118.1321 -206055.9325 17884.3945 0.0000 0.0000 34338.1044 -148897.4742 299.8832 -183235.5786 -148799.1203 299.6029 83.4113 114.1573 557597.2956 10.9049 10.8042 PRESSURE: 1939200 2.49317 -22.5025 -112.442 -22.5009 -265.998 -34.4148 -112.442 -34.4165 -318.167 GPRESSURE: 1939200 24.7307 -79.0166 -93.0518 29.1754 -259.606 -16.9061 -119.137 -82.4797 -253.893 PRESSAVG: 1939200 19.2201 -72.261 13.488 -72.261 42.309 -24.2321 13.488 -24.2321 -46.2026 GPRESSAVG: 1939200 20.4996 -71.7818 12.7597 -74.2009 42.2847 -27.4467 11.8684 -23.257 -47.2797 TIMING: 1939200 CPU: 5628.38, 0.00291069/step Wall: 5628.38, 0.00291069/step, 2.47473 hours remaining, 206.832031 MB of memory in use. ENERGY: 1939200 753.6561 2074.3873 1970.6806 120.3956 -205905.3139 17582.4664 0.0000 0.0000 34553.7515 -148849.9764 301.7665 -183403.7278 -148748.9433 300.7095 -193.8907 -162.9227 557728.6342 5.1088 5.1682 PRESSURE: 1939400 -141.623 68.4599 103.491 68.4606 -165.388 -111.84 103.492 -111.84 -191.021 GPRESSURE: 1939400 -84.4579 98.5197 77.3265 125.093 -172.058 -127.408 64.4609 -106.356 -135.955 PRESSAVG: 1939400 25.4008 9.26486 12.3273 9.26486 54.4514 41.9927 12.3272 41.9927 -29.002 GPRESSAVG: 1939400 23.6737 8.55738 13.4606 10.7477 55.8749 43.9047 13.9934 41.172 -29.0402 TIMING: 1939400 CPU: 5628.97, 0.00291071/step Wall: 5628.97, 0.00291071/step, 2.47459 hours remaining, 206.832031 MB of memory in use. ENERGY: 1939400 747.9560 2133.4841 1984.4214 119.2990 -205458.5279 17423.3398 0.0000 0.0000 34188.9509 -148861.0767 298.5806 -183050.0277 -148768.2770 300.9787 -166.0105 -130.8235 557997.5023 16.9501 16.8361 PRESSURE: 1939600 -193.072 -73.3517 44.0474 -73.3522 -58.388 -33.1644 44.0473 -33.1632 26.6775 GPRESSURE: 1939600 -178.795 -122.14 22.9954 -108.025 -19.6553 -88.4176 44.9642 -3.59347 61.3695 PRESSAVG: 1939600 -25.3587 11.5636 7.8821 11.5635 -33.7557 -9.10229 7.88201 -9.1023 -2.17662 GPRESSAVG: 1939600 -25.9281 12.9669 8.45264 11.6592 -34.2394 -10.0553 9.09598 -8.49044 -1.06446 TIMING: 1939600 CPU: 5629.55, 0.00290587/step Wall: 5629.55, 0.00290587/step, 2.47031 hours remaining, 206.832031 MB of memory in use. ENERGY: 1939600 756.7018 2044.6497 1966.0883 118.5520 -205976.7162 17607.0214 0.0000 0.0000 34631.7821 -148851.9209 302.4480 -183483.7030 -148756.2298 300.5095 -74.9275 -45.6936 557613.4739 -20.4303 -20.4107 PRESSURE: 1939800 -337.882 1.98941 45.1344 1.99035 -69.634 160.973 45.1348 160.972 -313.099 GPRESSURE: 1939800 -316.24 -64.7611 74.1376 -45.3582 1.10467 218.483 69.5848 99.0367 -305.709 PRESSAVG: 1939800 4.88541 44.4473 29.9098 44.4475 8.66902 -5.89984 29.9097 -5.89984 -9.21452 GPRESSAVG: 1939800 7.00599 43.4383 28.6286 43.2346 7.79213 -6.31515 30.3047 -4.89097 -10.565 TIMING: 1939800 CPU: 5630.13, 0.00290909/step Wall: 5630.13, 0.00290909/step, 2.47289 hours remaining, 206.832031 MB of memory in use. ENERGY: 1939800 734.6062 2093.5873 1980.6559 109.6370 -205648.2545 17442.1956 0.0000 0.0000 34424.9801 -148862.5922 300.6419 -183287.5723 -148764.5631 301.0002 -240.2049 -206.9482 557856.3706 1.4466 1.4110 PRESSURE: 1940000 72.9113 148.837 32.0478 148.836 41.9792 171.411 32.0475 171.409 84.5756 GPRESSURE: 1940000 85.2118 31.7405 -51.7765 182.278 97.3972 57.5306 69.1551 215.737 122.982 PRESSAVG: 1940000 -67.3066 -1.7898 14.8166 -1.78982 -2.14174 -22.1628 14.8166 -22.1628 30.6318 GPRESSAVG: 1940000 -68.5704 -3.26663 14.8492 -1.46574 -1.14436 -22.6665 14.4417 -22.7436 30.837 TIMING: 1940000 CPU: 5630.71, 0.00288657/step Wall: 5630.71, 0.00288657/step, 2.45359 hours remaining, 206.832031 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: 1940000 688.6971 2080.4684 1955.0499 106.9131 -205700.8870 17711.6555 0.0000 0.0000 34239.2201 -148918.8828 299.0196 -183158.1029 -148821.1996 300.5547 66.4887 101.8638 557348.2547 -12.9388 -12.9593 PRESSURE: 1940200 -64.3037 -69.7846 117.633 -69.7837 -289.804 115.445 117.634 115.443 -165.452 GPRESSURE: 1940200 35.4212 -98.9356 235.696 -39.9021 -312.19 28.3746 50.0947 126.991 -152.641 PRESSAVG: 1940200 85.7202 29.7461 13.9998 29.7461 1.11763 60.3366 13.9998 60.3365 -47.8719 GPRESSAVG: 1940200 84.838 28.5863 14.3391 29.2162 0.426861 60.8779 15.4453 60.6691 -46.6161 TIMING: 1940200 CPU: 5631.28, 0.00287847/step Wall: 5631.28, 0.00287847/step, 2.44654 hours remaining, 206.832031 MB of memory in use. ENERGY: 1940200 725.2093 2119.7813 1957.4817 109.8359 -205716.6582 17433.0459 0.0000 0.0000 34342.9055 -149028.3987 299.9251 -183371.3042 -148930.8891 300.3148 -173.1867 -143.1364 557764.0873 12.9887 12.8829 LDB: ============= START OF LOAD BALANCING ============== 5634.74 LDB: ============== END OF LOAD BALANCING =============== 5634.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5634.74 LDB: ============= START OF LOAD BALANCING ============== 5635.03 LDB: Largest compute 4821 load 0.030282 is 25.7% of average load 0.117760 LDB: Average compute 0.001715 is 1.5% of average load 0.117760 LDB: TIME 5635.03 LOAD: AVG 0.11776 MAX 0.179163 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.336 MB LDB: TIME 5635.03 LOAD: AVG 0.11776 MAX 0.179163 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: TIME 5635.03 LOAD: AVG 0.11776 MAX 0.179163 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: ============== END OF LOAD BALANCING =============== 5635.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5635.04 PRESSURE: 1940400 254.806 90.5038 -64.0032 90.5059 -38.2061 28.0502 -64.0036 28.052 105.976 GPRESSURE: 1940400 258.068 47.0113 -53.4516 125.629 36.5174 -53.7538 -4.41275 54.039 120.738 PRESSAVG: 1940400 139.778 34.8931 -1.27852 34.8931 -53.9156 9.35448 -1.27851 9.35445 -54.7209 GPRESSAVG: 1940400 140.759 38.4267 -0.36176 36.9195 -52.0057 9.83584 -0.868959 8.09398 -57.0368 TIMING: 1940400 CPU: 5631.86, 0.00290835/step Wall: 5631.86, 0.00290835/step, 2.47177 hours remaining, 206.437500 MB of memory in use. ENERGY: 1940400 725.0954 2133.2495 1962.3204 111.7538 -205900.7307 17797.3996 0.0000 0.0000 34069.5230 -149101.3891 297.5376 -183170.9121 -149009.7281 299.5544 107.5254 138.4411 557412.5880 10.3806 10.5722 PRESSURE: 1940600 -77.6122 -11.7456 86.651 -11.7463 -199.091 127.009 86.6498 127.01 -220.866 GPRESSURE: 1940600 -46.6526 35.466 173.797 -69.1936 -178.021 225.78 116.336 107.189 -179.878 PRESSAVG: 1940600 -12.5931 30.8509 39.4037 30.8508 18.7394 11.4949 39.4036 11.495 -22.9888 GPRESSAVG: 1940600 -11.3742 28.2258 39.1431 30.631 17.1124 8.59071 37.5517 15.1135 -22.2116 TIMING: 1940600 CPU: 5632.44, 0.00288329/step Wall: 5632.44, 0.00288329/step, 2.45032 hours remaining, 206.640625 MB of memory in use. ENERGY: 1940600 745.3331 2120.8899 1976.6689 117.7136 -206624.3317 17997.2122 0.0000 0.0000 34492.6992 -149173.8150 301.2333 -183666.5141 -149073.3561 299.2338 -165.8564 -134.8505 559842.4172 -5.6142 -5.4912 PRESSURE: 1940800 84.0478 -188.033 182.325 -188.034 49.097 -1.77888 182.325 -1.77744 127.45 GPRESSURE: 1940800 179.231 -162.291 131.188 -176.365 66.0261 34.4513 198.026 25.7475 122.168 PRESSAVG: 1940800 15.6591 -62.9636 25.7915 -62.9636 -41.7452 -7.2247 25.7914 -7.22465 43.5649 GPRESSAVG: 1940800 17.0644 -61.2141 25.8541 -64.0154 -43.2295 -2.99466 24.8112 -11.049 43.8465 TIMING: 1940800 CPU: 5633.02, 0.00290432/step Wall: 5633.02, 0.00290432/step, 2.46803 hours remaining, 206.640625 MB of memory in use. ENERGY: 1940800 714.6607 2122.8247 1938.2956 123.9273 -206173.6191 17871.7680 0.0000 0.0000 34145.9145 -149256.2284 298.2048 -183402.1429 -149156.2436 299.5269 86.8648 122.4751 557377.3673 5.8263 5.8938 PRESSURE: 1941000 -272.063 125.312 213.774 125.312 -167.655 -45.4013 213.775 -45.4012 87.1227 GPRESSURE: 1941000 -139.5 103.503 221.298 142.511 -160.596 44.9756 264.047 -67.2475 39.8361 PRESSAVG: 1941000 43.6791 21.9169 26.4299 21.9169 -59.0319 -22.0475 26.4299 -22.0475 6.13766 GPRESSAVG: 1941000 42.4434 23.1191 27.5637 22.7581 -57.1655 -24.6172 26.956 -19.7237 5.19141 TIMING: 1941000 CPU: 5633.6, 0.00289346/step Wall: 5633.6, 0.00289346/step, 2.45864 hours remaining, 206.750000 MB of memory in use. ENERGY: 1941000 702.4193 2093.9926 2000.5799 113.2097 -206024.0517 17525.5601 0.0000 0.0000 34274.4047 -149313.8853 299.3269 -183588.2900 -149213.3939 299.0371 -117.5316 -86.7533 557163.6907 -3.0717 -3.1769 PRESSURE: 1941200 79.3914 -104.01 -225.567 -104.009 50.9591 -110.175 -225.569 -110.175 103.504 GPRESSURE: 1941200 130.317 -91.7921 -200.397 -109.807 59.2718 -77.6186 -260.887 -160.47 144.131 PRESSAVG: 1941200 30.3504 3.803 -75.4087 3.80305 -28.9199 -44.6327 -75.4086 -44.6327 -18.8996 GPRESSAVG: 1941200 30.2124 1.44651 -77.83 4.53167 -28.6516 -43.3316 -75.2947 -45.0799 -18.6308 TIMING: 1941200 CPU: 5634.18, 0.0028903/step Wall: 5634.18, 0.0028903/step, 2.4558 hours remaining, 206.960938 MB of memory in use. ENERGY: 1941200 703.9664 2107.9129 1981.5483 110.0945 -206574.5380 17948.5702 0.0000 0.0000 34301.9996 -149420.4460 299.5679 -183722.4456 -149325.6519 298.2140 77.9516 111.2396 556125.3983 -5.8230 -5.6900 PRESSURE: 1941400 -9.63424 -151.827 -45.8946 -151.827 90.8418 -153.373 -45.8956 -153.373 39.3026 GPRESSURE: 1941400 -22.7921 -33.9613 -26.0602 -139.362 180.525 -215.471 -50.2494 -92.0934 61.9222 PRESSAVG: 1941400 21.6309 2.96848 -45.9097 2.96845 21.9963 -4.87451 -45.9098 -4.87448 9.64169 GPRESSAVG: 1941400 20.8514 4.10213 -44.2977 0.717568 21.6463 -3.76495 -45.816 -6.32121 10.6154 TIMING: 1941400 CPU: 5634.76, 0.00288957/step Wall: 5634.76, 0.00288957/step, 2.45501 hours remaining, 206.960938 MB of memory in use. ENERGY: 1941400 736.1691 2031.8820 1977.3570 120.1043 -206296.2646 17993.6031 0.0000 0.0000 34002.6505 -149434.4987 296.9536 -183437.1492 -149328.7302 299.2084 40.1700 73.2185 557606.2385 17.7563 17.7044 PRESSURE: 1941600 -82.9467 146.218 -14.0428 146.219 -210.519 9.65378 -14.0424 9.65453 -81.5761 GPRESSURE: 1941600 -61.9083 164.392 49.9294 73.1189 -220.974 5.27151 25.6413 30.5259 4.39607 PRESSAVG: 1941600 52.4848 -24.7477 2.92211 -24.7478 11.5176 18.847 2.92214 18.8471 -82.8134 GPRESSAVG: 1941600 52.9263 -22.7767 5.5022 -24.7982 11.6371 18.1622 2.36452 19.8375 -83.0237 TIMING: 1941600 CPU: 5635.33, 0.00288667/step Wall: 5635.33, 0.00288667/step, 2.45239 hours remaining, 206.960938 MB of memory in use. ENERGY: 1941600 750.2659 2107.8610 1994.2998 129.6822 -206384.4153 17890.9754 0.0000 0.0000 34068.3485 -149442.9826 297.5274 -183511.3310 -149349.5891 298.2552 -125.0140 -92.8286 558166.0800 -6.2703 -6.1534 PRESSURE: 1941800 128.647 3.39154 -142.562 3.39095 83.1939 -12.661 -142.562 -12.6606 -2.43021 GPRESSURE: 1941800 188.315 -67.1992 -25.3115 26.075 122.194 -45.4618 -144.168 22.0178 3.50187 PRESSAVG: 1941800 61.615 13.7403 -26.5906 13.7402 -32.4599 -4.96009 -26.5907 -4.96018 -40.7709 GPRESSAVG: 1941800 61.5019 12.4263 -29.2614 14.4252 -32.0557 -4.92099 -25.5188 -6.64924 -40.6036 TIMING: 1941800 CPU: 5635.91, 0.00289837/step Wall: 5635.91, 0.00289837/step, 2.46216 hours remaining, 206.960938 MB of memory in use. ENERGY: 1941800 711.7357 2109.8140 1951.3923 109.0704 -206347.0776 18007.9225 0.0000 0.0000 34104.0211 -149353.1216 297.8389 -183457.1427 -149262.0571 298.3403 69.8037 104.6703 557786.1662 -3.8719 -3.7191 PRESSURE: 1942000 -3.51803 73.8093 -74.9428 73.8102 106.291 -25.4272 -74.9422 -25.4278 49.6336 GPRESSURE: 1942000 63.3175 35.5871 -117.661 46.3371 111.486 -78.4211 -108.964 64.6351 77.7946 PRESSAVG: 1942000 22.2826 -19.3332 -31.6542 -19.3333 19.6761 -24.685 -31.6542 -24.685 -42.9953 GPRESSAVG: 1942000 21.8115 -19.515 -31.6752 -18.7678 20.4744 -26.1772 -34.2238 -23.6076 -43.3712 TIMING: 1942000 CPU: 5636.49, 0.00289227/step Wall: 5636.49, 0.00289227/step, 2.45682 hours remaining, 206.960938 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: 1942000 729.8495 2083.7781 1977.1395 105.4406 -206514.3339 17976.4750 0.0000 0.0000 34180.5111 -149461.1400 298.5069 -183641.6512 -149373.3378 298.2451 50.8021 84.1994 557981.8854 -0.3455 -0.3618 PRESSURE: 1942200 -29.0374 25.8637 -28.8943 25.8638 -98.3871 -93.75 -28.8933 -93.7496 -52.2673 GPRESSURE: 1942200 52.804 107.139 95.5553 -32.743 -73.6224 -84.7215 -1.47551 -140.841 -59.7487 PRESSAVG: 1942200 26.0112 42.7869 -82.1458 42.7868 -59.2011 7.78637 -82.1458 7.78647 16.8782 GPRESSAVG: 1942200 27.2554 42.7792 -81.2777 43.0914 -60.0573 7.5756 -78.9129 8.1859 15.6125 TIMING: 1942200 CPU: 5637.07, 0.00288349/step Wall: 5637.07, 0.00288349/step, 2.44921 hours remaining, 206.960938 MB of memory in use. ENERGY: 1942200 760.3133 2107.0694 2011.8707 112.3703 -206604.0673 17854.1030 0.0000 0.0000 34312.7477 -149445.5929 299.6618 -183758.3407 -149344.9539 298.1835 -59.8973 -26.8557 557834.9425 -5.4373 -5.7298 PRESSURE: 1942400 208.481 22.0873 78.7244 22.0873 107.483 24.8885 78.7238 24.889 -25.4731 GPRESSURE: 1942400 255.164 -5.42432 53.7902 -98.3825 96.7192 -35.0007 104.756 77.2998 43.9899 PRESSAVG: 1942400 -18.4935 -3.17926 -54.6042 -3.1793 -22.0067 23.4014 -54.604 23.4015 50.6769 GPRESSAVG: 1942400 -19.7416 -2.75383 -57.3532 -3.90423 -23.7657 23.362 -55.2778 22.7504 52.9543 TIMING: 1942400 CPU: 5637.65, 0.00288643/step Wall: 5637.65, 0.00288643/step, 2.45154 hours remaining, 206.960938 MB of memory in use. ENERGY: 1942400 722.7904 2138.3792 1963.1871 122.7712 -206618.3044 18086.6217 0.0000 0.0000 34176.9669 -149407.5880 298.4760 -183584.5549 -149319.8323 298.9072 96.8304 131.9576 557247.5059 3.3922 3.1490 PRESSURE: 1942600 155.916 -84.8236 15.5543 -84.8241 125.359 19.0562 15.5555 19.056 82.5631 GPRESSURE: 1942600 161.309 -49.2871 -20.3663 -86.1742 165.584 174.849 14.2223 -87.3737 136.031 PRESSAVG: 1942600 -73.2447 54.7684 -38.901 54.7684 19.474 8.26056 -38.9009 8.26059 57.8784 GPRESSAVG: 1942600 -73.6857 55.2405 -36.5531 54.5178 20.015 7.56581 -40.5575 8.80126 57.8094 TIMING: 1942600 CPU: 5638.22, 0.00288831/step Wall: 5638.22, 0.00288831/step, 2.45298 hours remaining, 206.960938 MB of memory in use. ENERGY: 1942600 752.9348 2124.6388 1962.7240 127.7237 -206841.5374 18168.3927 0.0000 0.0000 34395.6815 -149309.4419 300.3860 -183705.1234 -149219.7258 298.7197 121.2794 154.3082 557956.5646 1.3692 1.3796 PRESSURE: 1942800 -217.118 44.6863 52.5524 44.6855 -2.5052 -29.055 52.5519 -29.0558 -254.825 GPRESSURE: 1942800 -154.099 -39.5969 77.8118 9.50461 2.77389 -45.1703 80.891 -0.61444 -230.612 PRESSAVG: 1942800 -71.8533 51.5478 -0.586029 51.5477 20.5984 -10.3192 -0.586041 -10.3192 72.5963 GPRESSAVG: 1942800 -70.9769 49.8531 -0.946698 52.4645 20.9052 -7.89599 1.33228 -10.5212 71.8791 TIMING: 1942800 CPU: 5638.8, 0.00289931/step Wall: 5638.8, 0.00289931/step, 2.46216 hours remaining, 206.960938 MB of memory in use. ENERGY: 1942800 745.2683 2123.3350 1949.5484 111.7261 -205874.1169 17501.1280 0.0000 0.0000 34098.1222 -149344.9889 297.7874 -183443.1112 -149243.7762 298.5739 -158.1495 -127.3121 557365.0703 7.1138 7.2692 PRESSURE: 1943000 -152.728 86.5297 131.853 86.5291 29.4595 111.502 131.853 111.501 -224.539 GPRESSURE: 1943000 -69.3589 69.2819 13.4975 33.8887 45.7295 13.5146 160.324 151.465 -241.955 PRESSAVG: 1943000 16.7493 -51.2232 2.8538 -51.2232 23.8326 10.4248 2.85381 10.4247 -51.2309 GPRESSAVG: 1943000 17.1149 -48.7926 1.57808 -52.6308 23.1895 7.99486 0.79678 10.6177 -51.2925 TIMING: 1943000 CPU: 5639.38, 0.00290332/step Wall: 5639.38, 0.00290332/step, 2.4654 hours remaining, 206.960938 MB of memory in use. ENERGY: 1943000 741.1226 2093.7466 1955.2839 102.0805 -205941.1535 17627.4344 0.0000 0.0000 34076.5877 -149344.8978 297.5993 -183421.4854 -149248.4908 298.4420 -115.9359 -88.5282 558036.8435 -3.5496 -3.6627 PRESSURE: 1943200 126.261 6.05085 -27.5862 6.05111 94.558 -27.8644 -27.5857 -27.8655 194.186 GPRESSURE: 1943200 202.132 65.8577 25.6492 -72.4076 90.8975 99.3178 3.19332 -71.7454 225.71 PRESSAVG: 1943200 91.3823 -72.548 -3.45149 -72.5479 -51.8967 50.4189 -3.45151 50.4189 -22.2621 GPRESSAVG: 1943200 91.4427 -72.2306 -1.60385 -71.3508 -50.5781 52.3553 -3.03552 50.2925 -23.8741 TIMING: 1943200 CPU: 5639.97, 0.00290672/step Wall: 5639.97, 0.00290672/step, 2.46813 hours remaining, 206.960938 MB of memory in use. ENERGY: 1943200 759.6303 2147.6933 1982.9964 103.9168 -206808.7602 18201.6009 0.0000 0.0000 34340.6927 -149272.2299 299.9058 -183612.9227 -149180.0619 298.4140 138.3351 172.9131 557726.6577 5.7412 5.6635 PRESSURE: 1943400 -238.45 54.3934 32.0394 54.3941 -157.746 -155.834 32.0395 -155.833 -20.8523 GPRESSURE: 1943400 -217.159 117.223 81.2925 65.3811 -129.352 -114.475 87.2254 -162.535 23.0357 PRESSAVG: 1943400 -10.9584 -31.4838 50.5295 -31.4839 -3.42149 -4.93765 50.5294 -4.93757 29.8427 GPRESSAVG: 1943400 -11.3675 -32.8744 50.151 -32.3358 -3.71853 -4.7288 51.7707 -4.05355 30.5658 TIMING: 1943400 CPU: 5640.55, 0.0029052/step Wall: 5640.55, 0.0029052/step, 2.46668 hours remaining, 206.960938 MB of memory in use. ENERGY: 1943400 782.5848 2065.4165 1972.2604 107.2269 -206081.1592 17730.4182 0.0000 0.0000 34230.8799 -149192.3725 298.9468 -183423.2523 -149097.6862 299.6312 -139.0161 -107.8251 556952.0080 5.1543 5.1599 PRESSURE: 1943600 -132.917 24.4338 -68.3175 24.4345 113.301 -80.1043 -68.3178 -80.1046 21.3628 GPRESSURE: 1943600 -119.352 -0.700807 -114.614 53.0772 168.329 -102.692 -12.662 -66.137 48.6917 PRESSAVG: 1943600 -34.5574 -12.9947 -10.6666 -12.9948 -23.6111 -92.3144 -10.6666 -92.3144 15.7672 GPRESSAVG: 1943600 -34.5949 -13.4759 -11.0294 -12.461 -23.7509 -95.1962 -11.7847 -91.816 16.0729 TIMING: 1943600 CPU: 5641.13, 0.00289982/step Wall: 5641.13, 0.00289982/step, 2.46194 hours remaining, 206.960938 MB of memory in use. ENERGY: 1943600 740.5019 2110.9257 1963.8209 123.7125 -206371.4923 17803.2279 0.0000 0.0000 34179.2234 -149450.0800 298.4957 -183629.3033 -149349.7593 299.2312 0.5822 32.5559 557384.7726 -14.1338 -14.0910 PRESSURE: 1943800 -227.674 20.0613 -1.15096 20.0613 -10.6834 -171.088 -1.15149 -171.088 136.789 GPRESSURE: 1943800 -181.572 75.9858 -47.0647 30.8456 52.9355 -100.509 28.1466 -114.998 115.442 PRESSAVG: 1943800 -65.9 -30.1571 12.7746 -30.1571 -36.4183 -71.8756 12.7746 -71.8755 93.9716 GPRESSAVG: 1943800 -66.2256 -28.4867 12.9915 -30.393 -36.7454 -70.9826 11.377 -71.929 93.9853 TIMING: 1943800 CPU: 5641.71, 0.0028942/step Wall: 5641.71, 0.0028942/step, 2.45701 hours remaining, 206.960938 MB of memory in use. ENERGY: 1943800 775.3892 2086.3781 1975.0192 125.0741 -206536.5680 17811.8335 0.0000 0.0000 34267.8387 -149495.0351 299.2696 -183762.8738 -149388.5238 298.3257 -33.8560 -4.3979 556579.7378 -2.7822 -2.9953 PRESSURE: 1944000 -417.9 45.9075 84.029 45.9084 -217.73 51.3028 84.0288 51.3005 -343.832 GPRESSURE: 1944000 -392.235 66.859 164.131 65.4303 -164.422 71.6769 -13.953 2.99491 -320.537 PRESSAVG: 1944000 -33.2366 25.3563 -33.0352 25.3563 23.9502 31.6712 -33.0353 31.6712 -11.0874 GPRESSAVG: 1944000 -32.8119 23.4795 -34.3086 24.2574 23.8015 31.5782 -29.7273 32.2204 -10.8928 TIMING: 1944000 CPU: 5642.29, 0.00290484/step Wall: 5642.29, 0.00290484/step, 2.46589 hours remaining, 206.960938 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: 1944000 725.0333 2098.5747 1959.4727 109.1059 -205981.8474 17478.8159 0.0000 0.0000 34184.4578 -149426.3871 298.5414 -183610.8449 -149323.6067 298.5138 -326.4871 -292.3979 558702.0448 -6.7913 -6.6344 PRESSURE: 1944200 -91.784 -41.236 -7.81344 -41.2355 -252.583 0.523786 -7.8136 0.522425 -285.878 GPRESSURE: 1944200 -37.5934 69.1109 15.8354 -114.508 -226.038 1.54382 32.7843 76.7545 -253.806 PRESSAVG: 1944200 25.9418 31.9183 7.57657 31.9183 20.7892 16.611 7.57652 16.611 -59.7164 GPRESSAVG: 1944200 25.6589 31.6514 8.22418 33.1038 19.8772 15.4967 6.869 17.4672 -58.1033 TIMING: 1944200 CPU: 5642.87, 0.00292616/step Wall: 5642.87, 0.00292616/step, 2.48382 hours remaining, 206.960938 MB of memory in use. ENERGY: 1944200 780.2500 2045.3223 1952.4614 113.4666 -206536.4711 17699.9902 0.0000 0.0000 34553.0023 -149391.9782 301.7600 -183944.9805 -149297.3200 298.5192 -210.0816 -172.4794 557275.6912 -4.3284 -4.1891 LDB: ============= START OF LOAD BALANCING ============== 5646.34 LDB: ============== END OF LOAD BALANCING =============== 5646.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5646.34 LDB: ============= START OF LOAD BALANCING ============== 5646.64 LDB: Largest compute 4820 load 0.029890 is 25.4% of average load 0.117777 LDB: Average compute 0.001711 is 1.5% of average load 0.117777 LDB: TIME 5646.64 LOAD: AVG 0.117777 MAX 0.179557 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.676 MB LDB: TIME 5646.64 LOAD: AVG 0.117777 MAX 0.179557 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.91 MB LDB: TIME 5646.64 LOAD: AVG 0.117777 MAX 0.179557 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.91 MB LDB: ============== END OF LOAD BALANCING =============== 5646.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5646.65 PRESSURE: 1944400 -205.437 -85.3125 177.235 -85.3122 -52.9156 98.2215 177.236 98.2217 -119.611 GPRESSURE: 1944400 -184.812 -53.1706 178.297 -99.5609 -1.25967 169.588 167.367 86.7562 -87.1073 PRESSAVG: 1944400 -14.2413 -2.85375 31.4335 -2.85375 -1.88199 35.6179 31.4335 35.6179 0.879253 GPRESSAVG: 1944400 -13.296 -2.46927 31.8069 -2.62009 -1.35848 39.6586 29.7075 32.2468 -0.593358 TIMING: 1944400 CPU: 5643.47, 0.00299579/step Wall: 5643.47, 0.00299579/step, 2.54276 hours remaining, 206.832031 MB of memory in use. ENERGY: 1944400 753.2019 2097.7117 1952.5602 109.5695 -205887.1074 17557.6223 0.0000 0.0000 34013.7128 -149402.7290 297.0502 -183416.4418 -149301.2957 298.9048 -125.9881 -91.0596 556877.1901 -5.0813 -5.0826 PRESSURE: 1944600 -61.4114 67.5692 -127.352 67.5694 -59.7429 138.461 -127.351 138.461 -90.5989 GPRESSURE: 1944600 -9.16116 -15.6492 -63.4568 83.4281 -53.4098 131.506 -225.594 160.705 -66.5929 PRESSAVG: 1944600 -14.1171 -32.0629 1.85811 -32.0628 13.0573 43.4617 1.85788 43.4617 -0.618925 GPRESSAVG: 1944600 -15.4441 -32.8996 2.33567 -31.6294 14.5098 41.3917 0.5835 44.0334 -0.933621 TIMING: 1944600 CPU: 5644.05, 0.00289694/step Wall: 5644.05, 0.00289694/step, 2.4587 hours remaining, 206.832031 MB of memory in use. ENERGY: 1944600 743.5250 2107.3836 1963.8842 102.6937 -206083.4854 17786.7628 0.0000 0.0000 34171.4067 -149207.8295 298.4274 -183379.2361 -149106.3912 298.5007 -70.5844 -43.0546 558504.1556 -0.5596 -0.6226 PRESSURE: 1944800 -72.5691 94.0459 -170.329 94.0462 -228.132 143.296 -170.329 143.297 -71.3284 GPRESSURE: 1944800 -61.9916 119.822 -125.181 103.272 -190.394 131.653 -161.897 147.347 -27.1152 PRESSAVG: 1944800 34.134 -6.09288 -23.3232 -6.09291 -43.5059 57.0367 -23.3232 57.0366 9.45203 GPRESSAVG: 1944800 35.2531 -3.78576 -21.378 -8.70218 -44.353 58.0346 -22.4466 56.436 8.92027 TIMING: 1944800 CPU: 5644.64, 0.00292817/step Wall: 5644.64, 0.00292817/step, 2.48504 hours remaining, 207.121094 MB of memory in use. ENERGY: 1944800 751.4788 2082.3298 1983.7140 113.3848 -206138.6799 17618.6275 0.0000 0.0000 34269.9523 -149319.1926 299.2880 -183589.1450 -149215.7574 298.8084 -124.0100 -93.1670 557227.3000 0.0267 -0.0599 PRESSURE: 1945000 -291.177 -48.0133 -116.081 -48.0139 204.252 53.8585 -116.081 53.8587 29.7572 GPRESSURE: 1945000 -263.81 7.6708 -132.129 -8.43433 191.687 96.878 -85.6492 42.5006 105.998 PRESSAVG: 1945000 11.7538 17.2338 -83.8367 17.2338 -50.4767 27.8417 -83.8366 27.8418 15.6091 GPRESSAVG: 1945000 11.504 17.1028 -85.1538 19.14 -51.3565 27.5347 -83.6426 28.2166 16.7316 TIMING: 1945000 CPU: 5645.22, 0.00292168/step Wall: 5645.22, 0.00292168/step, 2.47937 hours remaining, 207.121094 MB of memory in use. ENERGY: 1945000 749.9775 2133.3271 1973.3427 109.8652 -206445.5606 17926.2238 0.0000 0.0000 34298.3601 -149254.4642 299.5361 -183552.8243 -149157.4022 298.7232 -19.0560 11.2916 557174.8853 -7.7046 -7.7070 PRESSURE: 1945200 -131.965 90.973 -64.9592 90.9726 -135.764 -30.3799 -64.9579 -30.3808 -138.392 GPRESSURE: 1945200 -21.9351 124.534 -47.61 108.664 -132.013 -144.197 -37.9327 -69.2347 -163.632 PRESSAVG: 1945200 -11.6544 18.6005 1.33356 18.6004 -13.7232 11.6389 1.33358 11.6388 -22.3192 GPRESSAVG: 1945200 -10.8218 17.2469 0.302294 18.9177 -14.1964 11.6921 1.81878 10.383 -23.2009 TIMING: 1945200 CPU: 5645.8, 0.00290302/step Wall: 5645.8, 0.00290302/step, 2.46337 hours remaining, 207.121094 MB of memory in use. ENERGY: 1945200 722.9806 2156.5735 1986.0066 126.3011 -206482.9117 17894.9526 0.0000 0.0000 34331.3130 -149264.7843 299.8239 -183596.0973 -149167.8612 298.5686 -135.3738 -105.8599 558915.3278 -15.8990 -16.0730 PRESSURE: 1945400 422.754 -35.1346 -34.973 -35.1359 170.576 -65.749 -34.9715 -65.749 27.1115 GPRESSURE: 1945400 414.529 -30.1387 -8.93202 -87.1015 252.607 -96.3547 -104.367 -140.49 39.9201 PRESSAVG: 1945400 22.8228 -15.4653 36.9511 -15.4653 55.7514 1.75122 36.951 1.75128 -79.3513 GPRESSAVG: 1945400 21.1108 -15.3192 36.8438 -16.2998 57.3935 1.97935 35.5157 3.47273 -78.8127 TIMING: 1945400 CPU: 5646.38, 0.00288196/step Wall: 5646.38, 0.00288196/step, 2.44534 hours remaining, 207.121094 MB of memory in use. ENERGY: 1945400 738.5812 2133.2834 1942.3633 104.5927 -206397.1323 18194.8299 0.0000 0.0000 33865.4617 -149418.0202 295.7555 -183283.4818 -149325.8251 298.5518 206.8139 235.6853 557474.3495 -0.2590 -0.1028 PRESSURE: 1945600 125.699 -118.538 285.974 -118.537 116.921 -98.4476 285.973 -98.4476 -11.5217 GPRESSURE: 1945600 127.142 -113.121 238.666 -96.3256 208.283 -83.9867 306.747 -135.968 1.20946 PRESSAVG: 1945600 37.3112 -51.6633 17.8403 -51.6632 39.6824 -43.726 17.8403 -43.7258 -85.6475 GPRESSAVG: 1945600 36.7378 -50.5057 19.0316 -52.7846 39.8775 -41.8102 19.983 -47.4391 -84.8505 TIMING: 1945600 CPU: 5646.96, 0.0029116/step Wall: 5646.96, 0.0029116/step, 2.47033 hours remaining, 207.121094 MB of memory in use. ENERGY: 1945600 708.4269 2081.2318 1967.2138 119.1603 -206504.7361 18013.3532 0.0000 0.0000 34167.6473 -149447.7027 298.3946 -183615.3500 -149353.6130 298.2416 77.0328 112.2115 557173.0810 -2.8846 -2.7451 PRESSURE: 1945800 53.4436 -90.954 50.3764 -90.9547 179.567 53.9506 50.3761 53.9495 147.936 GPRESSURE: 1945800 90.0731 -142.905 -52.4946 -83.7876 189.697 -35.4909 214.816 144.991 206.319 PRESSAVG: 1945800 21.1616 -37.6074 39.9637 -37.6076 25.5228 -1.37229 39.9637 -1.37223 -41.1771 GPRESSAVG: 1945800 20.6839 -39.788 37.984 -36.3284 25.1902 -4.99873 41.3935 3.45785 -40.4618 TIMING: 1945800 CPU: 5647.54, 0.00289603/step Wall: 5647.54, 0.00289603/step, 2.45696 hours remaining, 207.121094 MB of memory in use. ENERGY: 1945800 737.4634 2098.9907 1978.7835 119.8927 -206539.4973 18112.4189 0.0000 0.0000 34253.5814 -149238.3667 299.1450 -183491.9481 -149140.8522 298.9371 126.9821 162.0299 557519.6917 1.8358 1.8041 PRESSURE: 1946000 -236.581 6.27361 7.90502 6.27316 -373.998 -72.5923 7.90576 -72.592 -409.43 GPRESSURE: 1946000 -214.732 -28.4158 -69.5009 56.0407 -327.463 -68.4014 79.9803 -87.3459 -379.051 PRESSAVG: 1946000 -30.1711 -32.1162 21.5297 -32.1161 24.3559 -20.5506 21.5297 -20.5507 -34.2603 GPRESSAVG: 1946000 -29.5662 -31.7207 23.154 -31.8659 24.2198 -17.6837 19.2249 -21.1941 -34.6261 TIMING: 1946000 CPU: 5648.12, 0.00291272/step Wall: 5648.12, 0.00291272/step, 2.47096 hours remaining, 207.121094 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: 1946000 749.8426 2149.0478 1942.6913 117.1672 -205789.6661 17469.4003 0.0000 0.0000 34022.6207 -149338.8962 297.1280 -183361.5170 -149246.5876 298.4077 -340.0031 -307.0817 559280.2460 -13.3585 -13.3242 PRESSURE: 1946200 -86.4014 -260.785 23.5591 -260.784 -306.36 -18.0256 23.5594 -18.0262 -343.412 GPRESSURE: 1946200 -59.015 -229.145 92.8375 -346.021 -276.129 -81.3898 39.7937 -56.5717 -308.962 PRESSAVG: 1946200 2.54464 -40.6346 10.9356 -40.6347 91.166 41.0031 10.9356 41.003 -71.1427 GPRESSAVG: 1946200 2.98904 -39.6203 8.87782 -43.1762 89.6117 39.8528 13.6502 40.2361 -70.3818 TIMING: 1946200 CPU: 5648.7, 0.00289382/step Wall: 5648.7, 0.00289382/step, 2.45477 hours remaining, 207.121094 MB of memory in use. ENERGY: 1946200 750.3590 2105.3100 1965.0031 115.9750 -206089.0457 17527.3853 0.0000 0.0000 34279.7893 -149345.2238 299.3739 -183625.0132 -149255.7452 298.5285 -245.3913 -214.7018 559252.3971 7.5226 7.4063 PRESSURE: 1946400 -184.958 88.6463 100.999 88.6462 -205.944 -31.9475 100.998 -31.9476 38.5321 GPRESSURE: 1946400 -106.8 -71.9247 121.77 148.567 -217.141 -60.4051 37.656 9.89825 70.0519 PRESSAVG: 1946400 13.9716 -99.0452 30.402 -99.0453 12.1899 94.9529 30.402 94.953 -48.1636 GPRESSAVG: 1946400 12.9517 -100.474 31.714 -96.3944 12.8275 93.8162 28.4143 93.9067 -47.8784 TIMING: 1946400 CPU: 5649.28, 0.00288041/step Wall: 5649.28, 0.00288041/step, 2.44322 hours remaining, 207.121094 MB of memory in use. ENERGY: 1946400 752.8241 2051.9774 1975.9060 105.3009 -206153.3157 17646.7158 0.0000 0.0000 34235.6896 -149384.9018 298.9888 -183620.5915 -149284.4722 298.5368 -117.4568 -84.6295 557494.5875 -7.3340 -7.3664 PRESSURE: 1946600 -121.795 -116.058 97.0322 -116.059 67.7664 282.793 97.0332 282.792 -297.428 GPRESSURE: 1946600 -91.5349 -52.6754 53.9706 -253.881 116.843 257.499 76.8844 261.259 -283.473 PRESSAVG: 1946600 9.76175 -73.3327 43.782 -73.3326 -11.5955 18.5417 43.782 18.5418 -44.9003 GPRESSAVG: 1946600 9.84558 -71.8935 43.1944 -76.9133 -12.0913 21.8196 45.1357 18.5037 -44.7238 TIMING: 1946600 CPU: 5649.86, 0.00291273/step Wall: 5649.86, 0.00291273/step, 2.47048 hours remaining, 207.179688 MB of memory in use. ENERGY: 1946600 733.9954 2045.4996 1981.3442 112.3866 -206071.0341 17657.0162 0.0000 0.0000 34152.9484 -149387.8437 298.2662 -183540.7921 -149285.8009 298.2225 -117.1520 -86.0551 557161.3998 -15.5780 -15.6565 PRESSURE: 1946800 103.961 -147.633 47.321 -147.633 -153.829 97.457 47.3204 97.4583 48.6836 GPRESSURE: 1946800 127.235 -157.111 52.309 -126.437 -118.226 140.412 62.6602 25.2537 67.9105 PRESSAVG: 1946800 -10.4542 -1.92939 11.4847 -1.92937 20.1881 31.9024 11.4847 31.9024 -42.5167 GPRESSAVG: 1946800 -10.7134 -3.23123 14.1814 3.87241 20.8979 27.9414 8.56934 33.6277 -43.1898 TIMING: 1946800 CPU: 5650.44, 0.00290469/step Wall: 5650.44, 0.00290469/step, 2.4635 hours remaining, 207.179688 MB of memory in use. ENERGY: 1946800 727.7931 2102.1261 1970.4427 124.0345 -206279.4526 17789.3366 0.0000 0.0000 34238.4284 -149327.2912 299.0127 -183565.7196 -149231.5000 298.5244 -0.3951 25.6399 557231.3792 -10.9276 -11.0018 PRESSURE: 1947000 62.9722 -17.6304 31.8595 -17.6322 252.698 -140.424 31.8584 -140.424 108.778 GPRESSURE: 1947000 125.639 -71.4418 81.3172 -61.2975 235.114 -112.248 -1.43253 -109.125 173.925 PRESSAVG: 1947000 25.2908 -32.9187 32.9103 -32.9187 3.77868 3.78814 32.9103 3.78818 12.624 GPRESSAVG: 1947000 25.6976 -32.1693 31.7897 -34.6302 3.29034 3.68524 33.6554 5.24086 12.9336 TIMING: 1947000 CPU: 5651.02, 0.00290838/step Wall: 5651.02, 0.00290838/step, 2.46647 hours remaining, 207.179688 MB of memory in use. ENERGY: 1947000 697.5216 2140.0650 1976.7121 123.4793 -206579.7763 17942.9150 0.0000 0.0000 34326.0732 -149373.0101 299.7781 -183699.0833 -149277.2035 298.1208 141.4828 178.2261 555687.0736 13.8978 13.9739 PRESSURE: 1947200 219.832 -178.723 42.3106 -178.724 -46.0024 40.8882 42.3103 40.8864 -106.116 GPRESSURE: 1947200 233.507 -141.556 166.647 -168.645 3.92459 143.723 -50.1448 2.4221 -64.3222 PRESSAVG: 1947200 -13.8267 17.7756 64.4679 17.7755 -27.1714 -13.8005 64.4679 -13.8006 46.7364 GPRESSAVG: 1947200 -15.1621 18.6239 64.8787 15.8802 -26.4016 -11.6834 65.2589 -17.3391 46.6569 TIMING: 1947200 CPU: 5651.6, 0.00289387/step Wall: 5651.6, 0.00289387/step, 2.454 hours remaining, 207.179688 MB of memory in use. ENERGY: 1947200 740.9829 2083.8257 1983.2184 100.2643 -206564.2368 17869.8545 0.0000 0.0000 34596.0351 -149190.0561 302.1358 -183786.0912 -149090.5504 300.1692 22.5712 57.7033 556467.1002 1.9128 1.6977 PRESSURE: 1947400 -160.995 -51.4951 -193.176 -51.4953 -180.29 231.943 -193.175 231.944 -57.8723 GPRESSURE: 1947400 -82.7325 -53.7632 -153.17 -77.5714 -167.544 202.958 -177.938 223.61 -38.941 PRESSAVG: 1947400 -2.47128 -1.59501 -19.1554 -1.59501 -16.3846 -22.0173 -19.1554 -22.0172 -19.9257 GPRESSAVG: 1947400 -0.236971 -2.81083 -18.0216 -0.635131 -16.377 -21.55 -21.5193 -23.0019 -21.3945 TIMING: 1947400 CPU: 5652.18, 0.00288349/step Wall: 5652.18, 0.00288349/step, 2.44504 hours remaining, 207.179688 MB of memory in use. ENERGY: 1947400 797.7572 2149.7915 1961.9787 113.2008 -205963.7855 17625.5365 0.0000 0.0000 34334.9313 -148980.5895 299.8555 -183315.5208 -148883.1968 300.2996 -133.0524 -96.4059 557769.5051 -12.9272 -12.6695 PRESSURE: 1947600 -152.79 -219.428 1.53614 -219.427 -231.693 -55.3171 1.53541 -55.3156 -266.007 GPRESSURE: 1947600 -146.206 -182.65 -78.7049 -204.983 -213.96 -104.252 72.8477 0.389802 -187.478 PRESSAVG: 1947600 61.4687 -42.1925 10.6984 -42.1924 25.6272 -3.01744 10.6984 -3.01746 -58.7237 GPRESSAVG: 1947600 60.0439 -42.3527 10.5851 -38.8947 25.2325 -7.96883 12.5395 1.29602 -56.9342 TIMING: 1947600 CPU: 5652.75, 0.002891/step Wall: 5652.75, 0.002891/step, 2.45125 hours remaining, 207.179688 MB of memory in use. ENERGY: 1947600 757.8364 2134.2545 1972.5508 118.4896 -205647.8047 17397.4421 0.0000 0.0000 34473.7753 -148793.4561 301.0681 -183267.2314 -148690.6666 300.6301 -216.8299 -182.5481 557182.2685 9.4574 9.4474 PRESSURE: 1947800 102.857 -56.4877 36.6029 -56.4879 -100.699 33.1929 36.6031 33.1926 -130.822 GPRESSURE: 1947800 193.541 -101.111 78.0119 -158.031 -15.3504 3.87507 49.1007 60.6795 -205.166 PRESSAVG: 1947800 -10.4489 -47.2588 -5.99275 -47.2587 3.87897 -43.2801 -5.99282 -43.2801 -6.60824 GPRESSAVG: 1947800 -9.33551 -45.4852 -7.91161 -52.5393 4.50769 -37.8584 -4.87876 -44.842 -8.05665 TIMING: 1947800 CPU: 5653.33, 0.00289016/step Wall: 5653.33, 0.00289016/step, 2.45037 hours remaining, 207.179688 MB of memory in use. ENERGY: 1947800 710.0142 2122.1024 1952.8595 119.4451 -205577.2708 17546.5656 0.0000 0.0000 34333.6364 -148792.6478 299.8442 -183126.2841 -148703.8041 300.3068 -42.8881 -8.9918 557462.1594 -4.3927 -4.2948 PRESSURE: 1948000 156.911 -97.4954 148.797 -97.4941 68.2428 -268.652 148.797 -268.651 33.3353 GPRESSURE: 1948000 108.159 42.8943 76.8465 -145.812 111.655 -178.704 168.618 -172.176 131.137 PRESSAVG: 1948000 51.8472 -18.4117 -4.19041 -18.4117 -12.7137 -45.3009 -4.19036 -45.3009 -30.0489 GPRESSAVG: 1948000 51.6918 -17.8641 -5.48488 -17.4209 -12.5992 -47.4126 -5.2864 -43.9697 -29.8115 TIMING: 1948000 CPU: 5653.91, 0.00290069/step Wall: 5653.91, 0.00290069/step, 2.45914 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1948000 725.3426 2129.9578 1951.3607 104.6845 -205944.4781 17801.6868 0.0000 0.0000 34319.6351 -148911.8104 299.7219 -183231.4455 -148819.4211 299.8585 86.1629 116.9837 557552.9844 3.0282 3.0937 PRESSURE: 1948200 -288.167 98.3191 -14.0155 98.3194 -163.684 42.3967 -14.0152 42.3974 -1.39984 GPRESSURE: 1948200 -265.473 108.802 13.5779 41.1315 -108.637 41.7558 130.892 0.756995 27.8562 PRESSAVG: 1948200 35.2033 -10.5829 -41.0708 -10.5829 -32.9853 15.0093 -41.0708 15.0093 -12.0229 GPRESSAVG: 1948200 35.16 -12.0386 -39.9352 -9.35271 -34.7124 16.5876 -41.547 11.8891 -9.65405 TIMING: 1948200 CPU: 5654.49, 0.00290087/step Wall: 5654.49, 0.00290087/step, 2.45913 hours remaining, 207.179688 MB of memory in use. ENERGY: 1948200 778.3711 2201.9248 1941.9530 119.7703 -205779.6860 17503.0242 0.0000 0.0000 34335.1725 -148899.4701 299.8576 -183234.6427 -148809.6164 299.6791 -151.0834 -115.4179 558010.2806 -3.2683 -3.0688 LDB: ============= START OF LOAD BALANCING ============== 5657.96 LDB: ============== END OF LOAD BALANCING =============== 5657.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5657.96 LDB: ============= START OF LOAD BALANCING ============== 5658.25 LDB: Largest compute 4820 load 0.029890 is 25.4% of average load 0.117785 LDB: Average compute 0.001717 is 1.5% of average load 0.117785 LDB: TIME 5658.25 LOAD: AVG 0.117785 MAX 0.178995 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.805 MB LDB: TIME 5658.25 LOAD: AVG 0.117785 MAX 0.178995 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: TIME 5658.25 LOAD: AVG 0.117785 MAX 0.178995 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5658.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5658.26 PRESSURE: 1948400 -128.698 -74.3824 86.3109 -74.3802 -105.282 110.924 86.3115 110.925 43.0415 GPRESSURE: 1948400 -131.114 -82.8127 -0.0255529 -32.9086 -68.6506 53.4278 134.195 235.023 101.115 PRESSAVG: 1948400 -6.1662 -4.65098 -3.26209 -4.65102 6.15828 12.6247 -3.26202 12.6246 -2.53672 GPRESSAVG: 1948400 -5.59381 -4.5111 -3.17468 -3.94726 7.99314 12.951 -4.10072 15.5582 -4.85251 TIMING: 1948400 CPU: 5655.08, 0.00293834/step Wall: 5655.08, 0.00293833/step, 2.49073 hours remaining, 206.132812 MB of memory in use. ENERGY: 1948400 731.8663 2150.9218 1969.3842 121.5114 -205773.4955 17436.5405 0.0000 0.0000 34224.9134 -149138.3578 298.8947 -183363.2712 -149043.8405 299.3437 -63.6459 -32.8834 556433.9281 -0.8482 -0.8177 PRESSURE: 1948600 -50.6361 40.403 -71.3744 40.404 -53.5934 43.7535 -71.3747 43.7535 111.498 GPRESSURE: 1948600 -36.3079 140.462 -137.09 16.8581 -8.7167 60.3068 -106.46 9.70206 138.017 PRESSAVG: 1948600 -12.2736 16.3276 4.20081 16.3277 75.0091 -13.0166 4.20077 -13.0168 -34.3672 GPRESSAVG: 1948600 -13.6469 17.6323 4.32589 14.0096 75.0879 -15.9149 6.03524 -14.4234 -32.7695 TIMING: 1948600 CPU: 5655.66, 0.00288509/step Wall: 5655.66, 0.00288509/step, 2.44543 hours remaining, 206.132812 MB of memory in use. ENERGY: 1948600 740.2220 2135.2577 1943.6233 115.0028 -205903.4508 17698.2164 0.0000 0.0000 34294.9113 -148976.2173 299.5060 -183271.1286 -148883.7045 298.6124 2.4227 30.9976 556587.4148 9.4561 9.5572 PRESSURE: 1948800 41.3987 -113.535 -35.7721 -113.535 -290.339 16.2568 -35.7711 16.2554 64.9393 GPRESSURE: 1948800 46.0715 -169.477 -57.4167 -61.6323 -200.874 36.8202 -57.2426 -35.767 75.8103 PRESSAVG: 1948800 -5.88815 14.2369 10.7406 14.237 6.13183 2.32937 10.7406 2.32932 -4.60368 GPRESSAVG: 1948800 -5.3853 14.2669 12.0148 14.9178 6.28813 4.05445 10.5959 2.84242 -5.41735 TIMING: 1948800 CPU: 5656.24, 0.00288801/step Wall: 5656.24, 0.00288801/step, 2.44775 hours remaining, 206.203125 MB of memory in use. ENERGY: 1948800 769.9749 2133.5993 1982.0893 120.0540 -205954.7982 17685.9966 0.0000 0.0000 34227.8138 -149035.2704 298.9200 -183263.0841 -148933.1281 299.3393 -61.3336 -26.3309 557563.7659 -1.4533 -1.5048 PRESSURE: 1949000 26.3802 -3.80004 176.806 -3.80041 57.1513 -24.4271 176.806 -24.4282 6.21299 GPRESSURE: 1949000 -27.7566 13.7635 143.32 2.22521 95.1482 -26.7418 170.001 -23.239 125.734 PRESSAVG: 1949000 -8.6452 3.50748 -27.487 3.50744 -40.6777 -4.15744 -27.487 -4.15749 43.3885 GPRESSAVG: 1949000 -8.42831 2.13385 -27.6516 2.13156 -41.5889 -4.08799 -28.3435 -4.74034 44.4883 TIMING: 1949000 CPU: 5656.81, 0.00288637/step Wall: 5656.81, 0.00288637/step, 2.4462 hours remaining, 206.203125 MB of memory in use. ENERGY: 1949000 734.6917 2069.2896 1921.9333 114.3412 -206493.1840 18159.2473 0.0000 0.0000 34382.1432 -149111.5377 300.2678 -183493.6808 -149011.8069 299.0605 29.9148 64.3752 559592.7937 -1.9781 -1.8429 PRESSURE: 1949200 150.136 81.908 -77.3127 81.9069 191.032 93.9615 -77.3121 93.9635 167.902 GPRESSURE: 1949200 162.291 103.456 -46.6054 91.2815 249.211 33.5138 -36.9893 70.2138 180.57 PRESSAVG: 1949200 -31.2363 -19.4529 30.3698 -19.453 37.4675 54.4918 30.3698 54.4917 7.62354 GPRESSAVG: 1949200 -31.4263 -18.3414 32.3691 -18.9939 38.6814 56.3386 28.1517 53.4004 6.25041 TIMING: 1949200 CPU: 5657.39, 0.00288362/step Wall: 5657.39, 0.00288362/step, 2.4437 hours remaining, 206.203125 MB of memory in use. ENERGY: 1949200 698.5336 2042.2831 1981.9826 109.6763 -206083.9038 17913.9852 0.0000 0.0000 34320.1472 -149017.2958 299.7264 -183337.4430 -148918.2369 299.6836 169.6903 197.3572 558977.4201 4.6182 4.5018 PRESSURE: 1949400 -115.486 124.807 -23.8137 124.808 -35.7729 -159.24 -23.815 -159.24 316.852 GPRESSURE: 1949400 -139.858 183.174 -50.0245 160.642 22.4771 -154.614 8.66302 -138.67 376.77 PRESSAVG: 1949400 -69.3675 -1.09518 -13.899 -1.09529 64.959 8.9322 -13.8988 8.93215 -15.9781 GPRESSAVG: 1949400 -69.7866 -2.9309 -15.7803 1.53608 64.4393 7.09661 -11.1468 12.0289 -14.9207 TIMING: 1949400 CPU: 5657.97, 0.0028809/step Wall: 5657.97, 0.0028809/step, 2.44125 hours remaining, 206.203125 MB of memory in use. ENERGY: 1949400 752.1460 2063.4072 1962.1476 117.1233 -205933.0211 17829.1959 0.0000 0.0000 34266.7551 -148942.2461 299.2601 -183209.0011 -148848.6018 299.3542 55.1978 86.4630 558655.4028 -6.7955 -6.7560 PRESSURE: 1949600 144.371 -62.9852 97.907 -62.9855 -9.68545 -95.7813 97.9064 -95.7813 58.2235 GPRESSURE: 1949600 155.997 -104.342 118.79 -133.596 10.7739 -125.389 66.5589 -100.955 103.373 PRESSAVG: 1949600 15.6222 0.252789 5.56563 0.252772 -33.3957 -53.6014 5.5655 -53.6014 -12.1867 GPRESSAVG: 1949600 15.4235 -1.61434 4.17936 -0.667917 -33.6136 -53.6671 5.72703 -54.958 -12.0213 TIMING: 1949600 CPU: 5658.54, 0.00289782/step Wall: 5658.54, 0.00289782/step, 2.45542 hours remaining, 206.203125 MB of memory in use. ENERGY: 1949600 730.0588 2101.9740 1991.5201 125.6056 -206039.4062 17940.5194 0.0000 0.0000 34157.0254 -148992.7028 298.3018 -183149.7283 -148898.2166 299.1386 64.3029 90.0478 557110.4674 -9.9867 -10.0705 PRESSURE: 1949800 -0.834565 -60.9625 -48.9413 -60.9621 -67.6522 -1.15263 -48.9424 -1.15432 -225.435 GPRESSURE: 1949800 -12.0417 46.7016 -82.5535 -107.961 -35.1586 69.0898 -23.7952 13.5439 -150.343 PRESSAVG: 1949800 -27.8788 -59.5098 34.4533 -59.5098 8.38083 -17.6812 34.4533 -17.6812 12.1539 GPRESSAVG: 1949800 -26.2948 -58.6361 34.2225 -57.2173 7.83991 -17.3056 35.8977 -18.7096 11.0464 TIMING: 1949800 CPU: 5659.12, 0.00289366/step Wall: 5659.12, 0.00289366/step, 2.45174 hours remaining, 206.203125 MB of memory in use. ENERGY: 1949800 764.6829 2111.0048 1945.3409 112.9067 -206028.8381 17630.8390 0.0000 0.0000 34307.5261 -149156.5377 299.6162 -183464.0638 -149057.6845 299.0308 -97.9739 -65.8478 557269.8601 -2.4480 -2.4695 PRESSURE: 1950000 187.868 -44.9089 -36.1614 -44.9088 67.0178 1.27056 -36.1618 1.26946 -133.441 GPRESSURE: 1950000 198.755 -24.7226 -53.1072 -58.6755 111.104 25.9731 -16.0908 -34.7314 -84.3119 PRESSAVG: 1950000 -1.45215 46.5775 -33.3063 46.5774 37.3799 12.9226 -33.3063 12.9224 2.36431 GPRESSAVG: 1950000 -2.39922 49.9799 -31.7037 42.2677 37.6013 11.9719 -36.868 12.8829 2.73494 TIMING: 1950000 CPU: 5659.7, 0.00287888/step Wall: 5659.7, 0.00287888/step, 2.43905 hours remaining, 206.203125 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: 1950000 744.7564 2117.0218 1993.5396 126.1779 -206114.2117 17948.9084 0.0000 0.0000 34083.6263 -149100.1813 297.6608 -183183.8076 -149004.0969 299.9265 40.4819 75.1824 556671.3949 12.7640 12.6457 PRESSURE: 1950200 95.8381 31.7794 -122.318 31.7799 -131.133 -5.85589 -122.315 -5.85398 331.022 GPRESSURE: 1950200 140.647 23.309 -142.331 42.495 -121.567 -20.2983 -113.39 -56.5115 359.126 PRESSAVG: 1950200 88.584 0.589336 36.7914 0.589279 -34.6451 -8.26171 36.7915 -8.26161 -29.4226 GPRESSAVG: 1950200 88.6006 -1.02611 37.0286 1.81995 -34.8794 -7.61536 37.8545 -9.28986 -29.6561 TIMING: 1950200 CPU: 5660.28, 0.00288521/step Wall: 5660.28, 0.00288521/step, 2.44425 hours remaining, 206.203125 MB of memory in use. ENERGY: 1950200 721.8821 2116.2812 1952.4805 124.5819 -206180.2217 17942.8223 0.0000 0.0000 34260.8099 -149061.3638 299.2082 -183322.1737 -148963.0786 299.6370 98.5756 126.0688 557002.9694 8.1721 8.0217 PRESSURE: 1950400 117.201 140.327 19.5672 140.327 233.658 17.1465 19.5674 17.147 199.649 GPRESSURE: 1950400 216.305 154.278 20.8968 177.784 239.379 -19.7162 -18.6511 53.0091 197.687 PRESSAVG: 1950400 -64.6941 25.8106 63.9815 25.8108 102.614 3.42268 63.9816 3.42276 -15.6695 GPRESSAVG: 1950400 -63.5031 26.2194 62.579 25.3831 101.559 2.14384 64.6733 5.29718 -15.8271 TIMING: 1950400 CPU: 5660.85, 0.00288051/step Wall: 5660.85, 0.00288051/step, 2.44011 hours remaining, 206.203125 MB of memory in use. ENERGY: 1950400 726.4624 2143.5362 1970.5300 107.5851 -206235.0990 17993.5951 0.0000 0.0000 34245.7555 -149047.6346 299.0767 -183293.3902 -148949.0895 298.9941 183.5024 217.7904 557157.1105 7.4167 7.4097 PRESSURE: 1950600 111.946 68.7347 -66.8083 68.7343 -116.248 34.1591 -66.8069 34.1597 45.3869 GPRESSURE: 1950600 169.37 38.4263 -41.6467 112.34 -136.693 49.3702 -77.594 58.0702 120.204 PRESSAVG: 1950600 -28.3006 38.1339 -23.4296 38.1339 31.2991 -15.779 -23.4295 -15.779 -17.868 GPRESSAVG: 1950600 -29.535 38.9125 -23.0767 38.8624 31.7411 -16.0251 -23.7843 -14.9715 -17.0201 TIMING: 1950600 CPU: 5661.43, 0.00289435/step Wall: 5661.43, 0.00289435/step, 2.45167 hours remaining, 206.203125 MB of memory in use. ENERGY: 1950600 728.3997 2102.2423 1971.0602 115.5200 -205818.7291 17715.8183 0.0000 0.0000 34030.8365 -149154.8521 297.1998 -183185.6887 -149055.9257 298.9864 13.6947 50.9602 557214.7377 -4.9565 -4.9380 PRESSURE: 1950800 120.161 51.0709 -20.6231 51.0696 -144.888 81.8043 -20.6239 81.8042 -215.001 GPRESSURE: 1950800 134.38 78.3231 -126.893 -1.18345 -88.514 85.944 22.5517 -0.129592 -168.486 PRESSAVG: 1950800 36.6652 24.2952 25.5448 24.2953 21.0312 40.5593 25.5447 40.5592 -14.393 GPRESSAVG: 1950800 38.1047 21.7068 25.4175 24.4692 21.2232 42.5877 27.7927 37.4948 -15.9521 TIMING: 1950800 CPU: 5662.01, 0.00289679/step Wall: 5662.01, 0.00289679/step, 2.45358 hours remaining, 206.402344 MB of memory in use. ENERGY: 1950800 699.3623 2062.1094 1968.2569 103.1186 -206004.6455 17728.2877 0.0000 0.0000 34291.7597 -149151.7508 299.4785 -183443.5105 -149060.1781 299.0303 -79.9092 -40.8731 559123.7430 14.4345 14.4586 PRESSURE: 1951000 -171.072 85.1777 -26.1181 85.1783 -146.131 164.662 -26.1182 164.661 -331.595 GPRESSURE: 1951000 -172.677 95.6133 33.6745 103.076 -110.311 216.63 36.6952 131.802 -255.365 PRESSAVG: 1951000 -19.5879 28.6639 -0.408595 28.6638 16.5721 60.9307 -0.408671 60.9306 51.4587 GPRESSAVG: 1951000 -19.9037 29.107 -2.56705 27.8043 16.1061 57.6498 -0.219928 64.8686 51.7945 TIMING: 1951000 CPU: 5662.59, 0.00289479/step Wall: 5662.59, 0.00289479/step, 2.45173 hours remaining, 206.402344 MB of memory in use. ENERGY: 1951000 760.6165 2071.0329 1949.8133 121.8053 -205488.2585 17323.5857 0.0000 0.0000 34263.9182 -148997.4866 299.2353 -183261.4048 -148905.3597 298.8241 -216.2659 -179.4509 558639.6078 16.1476 15.9989 PRESSURE: 1951200 -188.058 -82.9776 -44.4339 -82.977 -297.315 -98.9251 -44.4334 -98.926 -272.644 GPRESSURE: 1951200 -186.585 -56.1205 -33.9251 -154.723 -281.989 -60.2811 -134.692 -93.2642 -182.115 PRESSAVG: 1951200 -24.6731 -2.49632 -33.2013 -2.49635 -6.87204 14.6642 -33.2013 14.6641 35.19 GPRESSAVG: 1951200 -25.1162 -0.90616 -27.3267 -2.28103 -5.18069 17.5221 -37.1112 13.2281 34.1522 TIMING: 1951200 CPU: 5663.17, 0.00290001/step Wall: 5663.17, 0.00290001/step, 2.45598 hours remaining, 206.402344 MB of memory in use. ENERGY: 1951200 738.4727 2072.8041 1958.3025 112.8279 -205659.4357 17408.8542 0.0000 0.0000 34277.7924 -149090.3819 299.3565 -183368.1744 -148998.4397 299.3071 -252.6722 -216.8961 558853.4018 1.2150 1.2851 PRESSURE: 1951400 -47.4524 55.5216 18.9381 55.5213 -110.312 16.4382 18.938 16.438 156.095 GPRESSURE: 1951400 -18.9554 22.0901 19.1236 80.9929 -63.4377 32.1366 7.83454 61.0553 171.536 PRESSAVG: 1951400 18.2755 -1.31769 -64.4016 -1.31771 -21.9351 34.57 -64.4016 34.5701 49.0765 GPRESSAVG: 1951400 17.3071 -1.60091 -68.0356 -2.57399 -23.342 34.0411 -61.4316 35.7701 50.8569 TIMING: 1951400 CPU: 5663.75, 0.00287834/step Wall: 5663.75, 0.00287834/step, 2.43747 hours remaining, 206.402344 MB of memory in use. ENERGY: 1951400 697.8501 2130.4079 1969.8577 119.7198 -205975.4978 17759.7759 0.0000 0.0000 34069.4013 -149228.4851 297.5366 -183297.8864 -149135.3245 299.0722 -0.5567 29.7143 557916.8107 15.1390 14.9407 PRESSURE: 1951600 69.5604 -212.062 -39.6767 -212.062 -158.593 -60.4871 -39.6761 -60.4865 211.66 GPRESSURE: 1951600 110.906 -152.209 44.8632 -197.05 -135.925 -34.198 -53.9569 -117.435 238.394 PRESSAVG: 1951600 -37.4431 -15.5761 20.5134 -15.5761 -21.6655 19.5286 20.5134 19.5286 64.2877 GPRESSAVG: 1951600 -36.7779 -16.4447 19.9917 -13.3843 -22.277 19.2906 20.5769 17.4313 64.2924 TIMING: 1951600 CPU: 5664.32, 0.00289248/step Wall: 5664.32, 0.00289248/step, 2.44929 hours remaining, 206.402344 MB of memory in use. ENERGY: 1951600 744.4589 2095.4655 1980.1740 113.0584 -206694.4713 18135.1405 0.0000 0.0000 34270.4337 -149355.7403 299.2922 -183626.1740 -149265.2220 298.1340 40.8759 71.1251 556876.4902 1.7264 1.7458 PRESSURE: 1951800 -28.869 -103.248 5.5191 -103.248 130.259 91.4864 5.51892 91.486 135.534 GPRESSURE: 1951800 -15.7346 -218.052 40.0712 -85.3117 164.596 193.103 -18.0418 46.0727 188.902 PRESSAVG: 1951800 -92.5506 40.0895 57.8938 40.0895 13.6003 1.71631 57.8937 1.71633 42.2073 GPRESSAVG: 1951800 -92.4482 39.5519 58.2184 40.2611 14.5256 1.02338 56.4959 4.71466 41.0283 TIMING: 1951800 CPU: 5664.9, 0.0028893/step Wall: 5664.9, 0.0028893/step, 2.44643 hours remaining, 206.402344 MB of memory in use. ENERGY: 1951800 715.8380 2108.7901 1966.8162 97.1167 -206219.3156 17709.7324 0.0000 0.0000 34176.5294 -149444.4928 298.4721 -183621.0222 -149346.3203 298.7550 78.9745 112.5878 557855.3288 -12.2477 -12.2981 PRESSURE: 1952000 173.271 5.4317 204.406 5.43068 1.81828 -2.28738 204.407 -2.28666 9.18318 GPRESSURE: 1952000 174.051 48.0397 145.305 6.77508 86.2151 -2.93876 185.421 -79.8962 26.2951 PRESSAVG: 1952000 -22.2767 -82.001 -24.6136 -82.0009 81.9594 -0.318416 -24.6136 -0.318601 -23.568 GPRESSAVG: 1952000 -21.8191 -78.5149 -24.466 -84.7512 82.0724 0.891801 -24.6803 -2.16267 -24.1372 TIMING: 1952000 CPU: 5665.48, 0.00289928/step Wall: 5665.48, 0.00289928/step, 2.45472 hours remaining, 206.402344 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: 1952000 755.5433 2073.6463 1963.6801 117.3088 -206261.5698 17895.4825 0.0000 0.0000 34081.0608 -149374.8480 297.6384 -183455.9088 -149276.7850 298.3536 61.4241 95.5204 557560.8510 12.0382 12.0387 PRESSURE: 1952200 -206.675 19.4907 44.5838 19.4904 -103.285 -54.015 44.5836 -54.016 -4.56755 GPRESSURE: 1952200 -86.4008 26.7415 55.539 42.6959 -91.1134 -89.445 72.3403 -116.683 -27.9707 PRESSAVG: 1952200 27.8158 -12.18 38.4133 -12.18 59.5565 8.2578 38.4133 8.2578 -84.4806 GPRESSAVG: 1952200 26.3284 -12.9984 39.7772 -9.84726 58.7994 7.73449 39.1283 10.0516 -82.4395 TIMING: 1952200 CPU: 5666.06, 0.00288805/step Wall: 5666.06, 0.00288805/step, 2.44506 hours remaining, 206.402344 MB of memory in use. ENERGY: 1952200 762.4478 2145.8701 1951.0828 111.5992 -206090.2405 17692.6289 0.0000 0.0000 34039.0900 -149387.5219 297.2718 -183426.6119 -149291.6951 298.2258 -104.8424 -68.4950 556641.5981 0.9639 0.8961 LDB: ============= START OF LOAD BALANCING ============== 5669.53 LDB: ============== END OF LOAD BALANCING =============== 5669.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5669.53 LDB: ============= START OF LOAD BALANCING ============== 5669.82 LDB: Largest compute 4820 load 0.030892 is 26.2% of average load 0.117751 LDB: Average compute 0.001720 is 1.5% of average load 0.117751 LDB: TIME 5669.82 LOAD: AVG 0.117751 MAX 0.178453 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 5669.82 LOAD: AVG 0.117751 MAX 0.178453 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: TIME 5669.82 LOAD: AVG 0.117751 MAX 0.178453 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5669.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5669.83 PRESSURE: 1952400 -7.64944 -104.214 106.123 -104.213 -537.633 -11.6923 106.122 -11.692 -170.917 GPRESSURE: 1952400 48.5289 49.4138 65.8193 -94.6102 -476.496 37.2953 148.533 9.17333 -179.558 PRESSAVG: 1952400 6.46344 -12.6489 26.145 -12.649 14.9169 -7.48785 26.145 -7.48796 45.0654 GPRESSAVG: 1952400 8.03276 -15.2488 26.1851 -13.3586 15.3446 -8.65968 25.9334 -6.87914 43.5565 TIMING: 1952400 CPU: 5666.65, 0.00297099/step Wall: 5666.65, 0.00297099/step, 2.5151 hours remaining, 207.156250 MB of memory in use. ENERGY: 1952400 732.6360 2083.2150 1956.1077 111.9481 -205696.7073 17422.3879 0.0000 0.0000 34365.3948 -149025.0178 300.1215 -183390.4126 -148925.9552 299.6992 -238.7333 -202.5083 558030.3778 22.1486 22.3113 PRESSURE: 1952600 -23.9888 132.857 12.6388 132.856 -230.75 -65.9073 12.6387 -65.9072 168.02 GPRESSURE: 1952600 -28.6453 72.9132 -16.9152 230.404 -210.767 -144.446 106.826 -79.0596 259.044 PRESSAVG: 1952600 -14.8791 -7.85935 18.3237 -7.85933 -0.350805 -63.4185 18.3237 -63.4185 -11.1183 GPRESSAVG: 1952600 -17.2084 -7.28064 19.0473 -6.77217 0.337105 -63.0069 17.2097 -64.0111 -9.44525 TIMING: 1952600 CPU: 5667.23, 0.00289258/step Wall: 5667.23, 0.00289258/step, 2.44857 hours remaining, 207.359375 MB of memory in use. ENERGY: 1952600 778.2533 2117.2569 1957.9008 107.6254 -206054.3755 17842.1273 0.0000 0.0000 34214.6113 -149036.6004 298.8047 -183251.2117 -148935.9988 299.9197 -28.9064 6.5441 557790.1382 -8.7828 -8.7722 PRESSURE: 1952800 -76.4374 -65.4427 170.633 -65.4423 -107.328 51.4382 170.633 51.4366 -116.188 GPRESSURE: 1952800 -56.322 -160.676 233.856 -89.8451 -55.8267 -36.4177 200.821 90.7788 -89.0684 PRESSAVG: 1952800 17.3151 30.8108 32.7803 30.8109 -65.6535 -41.183 32.7802 -41.1829 -5.88787 GPRESSAVG: 1952800 18.1432 31.5891 32.797 27.8139 -66.4646 -40.2702 34.0975 -42.5965 -6.14779 TIMING: 1952800 CPU: 5667.81, 0.0028775/step Wall: 5667.81, 0.0028775/step, 2.43565 hours remaining, 207.359375 MB of memory in use. ENERGY: 1952800 694.1369 2098.7372 1969.2330 95.2948 -205854.1651 17679.4256 0.0000 0.0000 34306.6807 -149010.6570 299.6088 -183317.3377 -148911.3880 299.7972 -99.9842 -67.0724 558460.1752 -18.0754 -18.1564 PRESSURE: 1953000 -25.9411 -262.705 52.0746 -262.705 -251.54 -54.3381 52.0751 -54.3379 -170.373 GPRESSURE: 1953000 -8.06307 -246.555 35.3333 -291.001 -232.012 -39.7881 29.5255 -143.201 -111.595 PRESSAVG: 1953000 -47.579 19.7007 -19.6935 19.7007 -2.01478 -6.39628 -19.6934 -6.39631 73.3649 GPRESSAVG: 1953000 -47.3496 19.1589 -21.2234 20.8183 -1.41406 -8.21791 -20.2748 -4.78829 72.0671 TIMING: 1953000 CPU: 5668.38, 0.00287624/step Wall: 5668.38, 0.00287624/step, 2.43442 hours remaining, 207.359375 MB of memory in use. ENERGY: 1953000 704.0352 2159.6652 1943.5605 106.6030 -205572.2693 17458.0283 0.0000 0.0000 34267.2078 -148933.1693 299.2640 -183200.3771 -148840.9756 299.7322 -149.2848 -117.2234 558506.9610 7.9237 7.7678 PRESSURE: 1953200 -86.1963 -101.946 128.762 -101.946 59.4519 143.45 128.762 143.451 16.5105 GPRESSURE: 1953200 -58.6029 -81.5728 176.757 -119.343 98.9243 67.1069 119.909 285.909 58.8083 PRESSAVG: 1953200 -31.6074 -69.1194 14.3965 -69.1194 -16.3471 -8.08965 14.3965 -8.08976 29.1896 GPRESSAVG: 1953200 -32.4772 -69.1998 14.8554 -68.3469 -15.9608 -8.38245 14.3854 -7.16902 30.6137 TIMING: 1953200 CPU: 5668.96, 0.00288673/step Wall: 5668.96, 0.00288673/step, 2.44313 hours remaining, 207.359375 MB of memory in use. ENERGY: 1953200 756.6881 2124.1165 1942.3789 112.6383 -206049.4904 17916.5352 0.0000 0.0000 34249.0129 -148948.1204 299.1051 -183197.1333 -148859.1956 300.3350 -3.4113 33.0433 556704.8454 -6.2550 -5.9414 PRESSURE: 1953400 -139.194 -40.8223 -64.0037 -40.8217 -95.1134 -130.316 -64.003 -130.314 -449.42 GPRESSURE: 1953400 -34.2805 -64.3502 -5.40687 -43.5023 -90.2944 -129.618 -97.8664 -125.564 -467.38 PRESSAVG: 1953400 63.7019 -25.9419 32.8235 -25.9419 -26.0023 -5.62066 32.8235 -5.62065 -14.488 GPRESSAVG: 1953400 65.5213 -26.1936 34.6846 -25.4781 -26.5889 -3.82807 33.9866 -7.25509 -15.8841 TIMING: 1953400 CPU: 5669.54, 0.00288839/step Wall: 5669.54, 0.00288839/step, 2.44438 hours remaining, 207.359375 MB of memory in use. ENERGY: 1953400 773.8022 2127.2094 1972.0535 114.6617 -205910.8259 17662.4936 0.0000 0.0000 34440.2360 -148820.3693 300.7751 -183260.6053 -148722.7804 301.0167 -227.9090 -197.3183 558999.3357 7.7372 7.6828 PRESSURE: 1953600 -27.1437 -5.63633 -5.13325 -5.63599 108.912 108.248 -5.13257 108.248 74.5324 GPRESSURE: 1953600 53.2512 -24.8024 18.0992 66.3457 136.591 110.164 46.5227 200.928 72.4314 PRESSAVG: 1953600 30.4744 -18.6925 15.4694 -18.6926 9.36271 3.33086 15.4694 3.33083 -55.8311 GPRESSAVG: 1953600 29.5648 -18.3117 13.9527 -18.7723 9.2333 2.63708 15.6689 3.61138 -55.1077 TIMING: 1953600 CPU: 5670.12, 0.00290667/step Wall: 5670.12, 0.00290667/step, 2.45968 hours remaining, 207.359375 MB of memory in use. ENERGY: 1953600 719.4996 2073.9915 1957.7539 126.5130 -205732.1149 17694.0631 0.0000 0.0000 34383.9078 -148776.3860 300.2832 -183160.2938 -148677.3311 300.8564 52.1003 87.4245 557483.9111 -5.3313 -5.4365 PRESSURE: 1953800 40.0079 6.58251 -140.802 6.57977 -209.395 -120.186 -140.804 -120.186 -49.4064 GPRESSURE: 1953800 78.7119 38.5111 -143.789 -37.2471 -174.336 -88.0746 -146.847 -95.5961 -22.9151 PRESSAVG: 1953800 -34.6147 -53.0008 -21.9743 -53.0008 14.1259 33.3795 -21.9743 33.3796 22.3713 GPRESSAVG: 1953800 -33.6801 -51.1569 -22.7257 -53.1394 13.1791 32.9666 -23.6305 34.6956 22.1829 TIMING: 1953800 CPU: 5670.69, 0.00286847/step Wall: 5670.69, 0.00286847/step, 2.4272 hours remaining, 207.429688 MB of memory in use. ENERGY: 1953800 732.7371 2081.7173 1937.1637 118.0441 -205911.3451 17693.7396 0.0000 0.0000 34460.3245 -148887.6188 300.9506 -183347.9433 -148789.6719 300.8082 -72.9310 -39.5129 557590.9117 0.6275 0.5606 PRESSURE: 1954000 71.5076 73.4764 2.47555 73.4772 -72.2323 -121.889 2.47559 -121.889 79.0594 GPRESSURE: 1954000 85.9384 -0.187846 -8.61829 -12.4672 -45.6471 -171.383 62.3659 -68.7816 146.894 PRESSAVG: 1954000 78.5913 -23.1638 -8.70723 -23.1638 -19.3576 -10.0099 -8.70726 -10.0099 -36.708 GPRESSAVG: 1954000 77.6476 -25.8847 -7.09191 -22.0816 -17.7551 -8.2829 -8.18514 -10.6254 -37.3283 TIMING: 1954000 CPU: 5671.27, 0.00286923/step Wall: 5671.27, 0.00286923/step, 2.42769 hours remaining, 207.429688 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: 1954000 760.5558 2081.3622 1985.1298 127.0293 -205823.6946 17817.4854 0.0000 0.0000 34128.9451 -148923.1870 298.0566 -183052.1321 -148827.9468 300.3836 26.1115 62.3952 557540.0305 7.5086 7.5214 PRESSURE: 1954200 21.9718 -42.6041 87.3885 -42.6034 -75.1319 -92.6992 87.3888 -92.698 -49.9868 GPRESSURE: 1954200 22.4938 -105.422 102.281 -51.2827 -73.5095 -26.1272 71.5135 -29.5407 41.3741 PRESSAVG: 1954200 110.539 42.5547 -9.55103 42.5547 -95.4389 -7.60015 -9.55094 -7.60009 19.9832 GPRESSAVG: 1954200 110.771 42.8159 -10.3252 41.8465 -95.9398 -9.97631 -8.93945 -7.80671 20.6609 TIMING: 1954200 CPU: 5671.84, 0.00287452/step Wall: 5671.84, 0.00287452/step, 2.43201 hours remaining, 207.429688 MB of memory in use. ENERGY: 1954200 732.6552 2049.4368 1993.2135 118.6313 -206049.8049 17673.3716 0.0000 0.0000 34505.8693 -148976.6273 301.3483 -183482.4966 -148877.7361 300.2225 -34.3823 -3.2139 557135.6202 11.6943 11.8307 PRESSURE: 1954400 -232.612 109.753 76.7101 109.751 91.0917 -98.7874 76.7114 -98.7883 259.026 GPRESSURE: 1954400 -127.788 124.812 137.542 163.357 92.2776 -76.6251 25.0446 -73.1037 255.428 PRESSAVG: 1954400 47.9998 72.7051 -29.3312 72.705 -105.605 -3.10345 -29.3313 -3.10347 72.2871 GPRESSAVG: 1954400 47.1369 74.0889 -28.9924 72.6046 -106.186 -1.30044 -30.3066 -3.99688 73.4042 TIMING: 1954400 CPU: 5672.42, 0.00287535/step Wall: 5672.42, 0.00287535/step, 2.43254 hours remaining, 207.429688 MB of memory in use. ENERGY: 1954400 753.6580 2080.9112 1977.1343 107.8671 -206413.3969 17960.3075 0.0000 0.0000 34640.7900 -148892.7288 302.5266 -183533.5188 -148800.2475 300.5270 39.1685 73.3059 556108.5412 4.8939 4.7850 PRESSURE: 1954600 89.7679 -16.2234 74.1666 -16.2244 144.786 -15.4132 74.1663 -15.4126 -179.119 GPRESSURE: 1954600 122.812 -86.0263 53.4458 37.4247 196.968 -42.0868 120.923 7.20091 -167.332 PRESSAVG: 1954600 -22.2967 -0.631494 15.7842 -0.631553 -4.7355 -19.4329 15.7843 -19.4329 6.0127 GPRESSAVG: 1954600 -20.4006 -0.840148 14.8316 -0.429162 -3.84618 -17.7195 17.3163 -19.8211 3.53102 TIMING: 1954600 CPU: 5672.99, 0.00286968/step Wall: 5672.99, 0.00286968/step, 2.42759 hours remaining, 207.429688 MB of memory in use. ENERGY: 1954600 780.8759 2126.6991 1983.1752 115.3684 -206215.4518 17934.2234 0.0000 0.0000 34321.6633 -148953.4465 299.7396 -183275.1098 -148854.9285 300.2274 18.4783 50.8161 556205.4651 -7.0065 -6.9052 PRESSURE: 1954800 -2.84005 76.3704 -34.1436 76.3719 108.84 58.3435 -34.145 58.3437 -178.527 GPRESSURE: 1954800 22.6018 127.715 -148.471 189.448 166.212 61.6496 -20.5456 95.1181 -161.054 PRESSAVG: 1954800 -28.4546 12.8194 3.3737 12.8194 40.8323 -14.666 3.37384 -14.666 -11.9212 GPRESSAVG: 1954800 -29.1104 12.1245 5.39198 12.5826 40.5488 -17.8584 2.92731 -14.3908 -11.7969 TIMING: 1954800 CPU: 5673.57, 0.00288866/step Wall: 5673.57, 0.00288866/step, 2.44349 hours remaining, 207.429688 MB of memory in use. ENERGY: 1954800 738.2039 2131.6591 1970.3002 112.5844 -205985.2242 17639.6825 0.0000 0.0000 34366.9142 -149025.8798 300.1348 -183392.7941 -148926.8145 300.2045 -24.1756 9.2532 557106.4891 0.1522 -0.1195 PRESSURE: 1955000 -99.196 7.8927 16.686 7.89248 -4.2493 13.2552 16.6863 13.2555 100.268 GPRESSURE: 1955000 -54.6378 77.1936 63.7985 -59.0766 3.68486 -8.35406 23.8497 44.9761 148.722 PRESSAVG: 1955000 39.8434 33.2477 -53.703 33.2476 29.5416 -33.0419 -53.7029 -33.0418 -58.588 GPRESSAVG: 1955000 39.7207 33.6964 -53.9381 34.378 28.4055 -30.9277 -53.3878 -32.1248 -57.8841 TIMING: 1955000 CPU: 5674.15, 0.002906/step Wall: 5674.15, 0.002906/step, 2.45799 hours remaining, 207.429688 MB of memory in use. ENERGY: 1955000 736.8818 2168.9777 1956.3694 124.0513 -206404.2423 17835.6472 0.0000 0.0000 34574.2452 -149008.0697 301.9455 -183582.3149 -148915.9527 299.5483 -1.0590 32.5898 558620.8042 3.5990 3.4140 PRESSURE: 1955200 -152.406 -5.71675 59.6981 -5.71735 13.6585 16.4391 59.6983 16.4404 -255.439 GPRESSURE: 1955200 -118.215 7.37799 37.9955 -81.8564 30.3894 34.6843 61.2981 -19.561 -201.2 PRESSAVG: 1955200 -21.1403 25.0359 21.2 25.0358 19.465 -38.4643 21.2 -38.4643 20.3401 GPRESSAVG: 1955200 -21.0811 26.2064 18.9646 23.155 20.0452 -38.9885 20.2768 -38.4382 20.3579 TIMING: 1955200 CPU: 5674.73, 0.00289405/step Wall: 5674.73, 0.00289405/step, 2.44772 hours remaining, 207.429688 MB of memory in use. ENERGY: 1955200 764.3015 2114.9191 1961.9790 123.0184 -205737.5773 17550.8037 0.0000 0.0000 34105.2524 -149117.3033 297.8497 -183222.5557 -149020.8781 299.9972 -131.3953 -96.3419 559559.5939 6.2216 6.4407 PRESSURE: 1955400 -354.288 117.882 -17.0949 117.881 -97.6447 -53.1262 -17.094 -53.1252 -183.345 GPRESSURE: 1955400 -274.825 122.964 14.1833 133.632 -61.1582 -49.4527 -18.0953 -25.4016 -204.641 PRESSAVG: 1955400 -73.5955 0.68443 9.41705 0.684407 55.0207 3.70785 9.4172 3.70782 17.1563 GPRESSAVG: 1955400 -73.9162 1.22974 9.70864 0.221505 53.6602 2.55742 9.56669 3.16812 18.496 TIMING: 1955400 CPU: 5675.3, 0.0028783/step Wall: 5675.3, 0.0028783/step, 2.43424 hours remaining, 207.429688 MB of memory in use. ENERGY: 1955400 774.7972 2124.1421 1970.0233 110.5326 -206297.4880 17621.3549 0.0000 0.0000 34430.6563 -149265.9816 300.6915 -183696.6380 -149170.2105 299.3052 -211.7590 -180.2081 558040.6137 -0.4728 -0.5867 PRESSURE: 1955600 -236.498 -3.11433 31.7944 -3.11431 -313.592 -93.4498 31.7939 -93.4489 82.4749 GPRESSURE: 1955600 -219.266 -10.5725 -38.8021 -51.9055 -248.559 -92.7857 85.8899 -133.446 112.614 PRESSAVG: 1955600 -32.9555 10.7748 -46.4898 10.7748 26.2004 45.8942 -46.4897 45.8942 58.1163 GPRESSAVG: 1955600 -32.3321 8.94202 -45.7076 12.8497 27.2001 48.5967 -45.8999 45.3197 56.4258 TIMING: 1955600 CPU: 5675.88, 0.00288669/step Wall: 5675.88, 0.00288669/step, 2.44117 hours remaining, 207.429688 MB of memory in use. ENERGY: 1955600 728.3382 2068.9521 1963.4754 123.3197 -205851.2580 17511.7589 0.0000 0.0000 34101.6043 -149353.8094 297.8178 -183455.4137 -149255.7217 298.2196 -155.8717 -118.4038 559606.2243 17.1204 17.0979 PRESSURE: 1955800 52.868 66.2303 141.338 66.2296 37.9206 -74.9952 141.338 -74.9955 -56.4368 GPRESSURE: 1955800 37.6805 132.713 155.059 -18.508 106.123 -23.6776 162.615 -110.396 1.52993 PRESSAVG: 1955800 -13.4813 18.5724 -14.1921 18.5724 -18.4619 47.5045 -14.1921 47.5045 32.4454 GPRESSAVG: 1955800 -15.4154 18.7852 -12.4075 16.3252 -18.9124 49.1065 -18.0387 47.8716 34.9958 TIMING: 1955800 CPU: 5676.46, 0.00290957/step Wall: 5676.46, 0.00290957/step, 2.46036 hours remaining, 207.429688 MB of memory in use. ENERGY: 1955800 794.5041 2044.9664 1946.9377 120.9401 -205977.1689 17824.0728 0.0000 0.0000 34074.2151 -149171.5328 297.5786 -183245.7478 -149075.7139 298.2159 11.4506 48.4446 559026.2239 0.1674 0.2227 PRESSURE: 1956000 -44.163 -25.9415 16.5074 -25.9413 -40.7185 45.9698 16.5075 45.971 121.672 GPRESSURE: 1956000 10.5591 -40.7878 103.218 -67.4461 -53.6569 57.7428 -7.11799 67.555 166.271 PRESSAVG: 1956000 41.5698 -9.48922 -12.4237 -9.48919 -7.9934 46.6486 -12.4238 46.6487 4.79692 GPRESSAVG: 1956000 43.0804 -10.5056 -13.1208 -8.16837 -8.54299 43.5962 -10.8661 48.0482 4.23487 TIMING: 1956000 CPU: 5677.04, 0.00290184/step Wall: 5677.04, 0.00290184/step, 2.45367 hours remaining, 207.429688 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: 1956000 810.1412 2166.6091 1945.9517 110.8077 -206657.7474 18009.5427 0.0000 0.0000 34352.4753 -149262.2197 300.0087 -183614.6951 -149167.9400 298.8870 12.2635 41.0579 557689.7787 12.7911 12.9241 PRESSURE: 1956200 -3.28597 23.9302 -252.499 23.9318 88.6018 72.3591 -252.499 72.3602 139.166 GPRESSURE: 1956200 59.0602 -0.0648613 -181.165 20.5144 121.124 31.01 -274.877 158.489 142.694 PRESSAVG: 1956200 -62.0782 -60.2576 10.0716 -60.2576 -74.437 -3.52391 10.0715 -3.52389 70.0728 GPRESSAVG: 1956200 -61.4609 -61.068 10.2373 -58.1071 -75.1856 -3.26067 11.9136 -3.69053 69.9399 TIMING: 1956200 CPU: 5677.62, 0.0028814/step Wall: 5677.62, 0.0028814/step, 2.43622 hours remaining, 207.429688 MB of memory in use. ENERGY: 1956200 700.9414 2113.1292 1972.5898 100.5422 -206320.2392 17890.5401 0.0000 0.0000 34124.7046 -149417.7919 298.0195 -183542.4964 -149320.9651 298.5382 74.8273 107.6261 558728.5965 -22.1475 -22.2355 LDB: ============= START OF LOAD BALANCING ============== 5681.08 LDB: ============== END OF LOAD BALANCING =============== 5681.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5681.08 LDB: ============= START OF LOAD BALANCING ============== 5681.37 LDB: Largest compute 4820 load 0.030438 is 25.8% of average load 0.117780 LDB: Average compute 0.001721 is 1.5% of average load 0.117780 LDB: TIME 5681.38 LOAD: AVG 0.11778 MAX 0.176216 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.598 MB LDB: TIME 5681.38 LOAD: AVG 0.11778 MAX 0.176216 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: TIME 5681.38 LOAD: AVG 0.11778 MAX 0.176216 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: ============== END OF LOAD BALANCING =============== 5681.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5681.38 PRESSURE: 1956400 -109.034 -181.918 -108.106 -181.919 -97.1794 160.741 -108.105 160.741 90.403 GPRESSURE: 1956400 -100.249 -174.588 -167.252 -201.463 -55.349 77.3485 -31.3035 143.693 128.766 PRESSAVG: 1956400 -16.7042 -35.9879 -8.33027 -35.9879 -29.5906 24.7578 -8.33033 24.7577 65.4549 GPRESSAVG: 1956400 -16.8567 -31.6321 -9.61791 -39.2691 -29.5556 24.3474 -6.46202 23.5457 65.37 TIMING: 1956400 CPU: 5678.21, 0.00294004/step Wall: 5678.21, 0.00294004/step, 2.48564 hours remaining, 205.125000 MB of memory in use. ENERGY: 1956400 719.6132 2042.4034 1940.9772 111.4268 -206132.2938 17771.2762 0.0000 0.0000 34198.3381 -149348.2588 298.6626 -183546.5969 -149250.9022 298.9137 -38.6036 -8.9440 557967.7797 6.3867 6.3192 PRESSURE: 1956600 375.221 66.2737 25.642 66.273 -93.006 39.1404 25.6423 39.1392 176.999 GPRESSURE: 1956600 411.821 135.215 -47.3329 32.865 -73.3862 35.5689 -33.446 62.3425 198.122 PRESSAVG: 1956600 38.7649 33.55 -39.9607 33.5501 -30.5967 -6.71683 -39.9607 -6.7168 -13.5972 GPRESSAVG: 1956600 38.0012 34.5151 -38.9796 34.3524 -29.3408 -7.79843 -41.6937 -4.15004 -13.6307 TIMING: 1956600 CPU: 5678.78, 0.00287568/step Wall: 5678.78, 0.00287568/step, 2.43107 hours remaining, 205.125000 MB of memory in use. ENERGY: 1956600 731.6721 2083.2941 1981.6262 124.2207 -206261.0499 17930.5312 0.0000 0.0000 34146.8155 -149262.8901 298.2126 -183409.7055 -149163.9168 298.9003 153.0712 178.8523 557373.7128 -1.8096 -1.6568 PRESSURE: 1956800 123.423 87.1671 -223.894 87.167 1.25858 3.99582 -223.894 3.99509 84.8528 GPRESSURE: 1956800 171.787 101.47 -190.833 24.6342 9.80609 -23.2542 -223.101 -64.3186 133.846 PRESSAVG: 1956800 24.4985 97.4171 -42.3337 97.4172 -17.3816 13.2382 -42.3338 13.2382 -17.6661 GPRESSAVG: 1956800 25.326 96.5457 -42.9166 97.1684 -18.3848 12.9473 -42.2999 10.8737 -17.7067 TIMING: 1956800 CPU: 5679.36, 0.00289896/step Wall: 5679.36, 0.00289896/step, 2.45059 hours remaining, 205.125000 MB of memory in use. ENERGY: 1956800 725.3476 2088.6976 1990.0497 110.4117 -206090.7189 17730.0525 0.0000 0.0000 34320.1962 -149125.9637 299.7268 -183446.1599 -149033.5379 299.2571 69.8446 105.1461 556289.6970 -3.5164 -3.5885 PRESSURE: 1957000 51.6012 -75.5991 115.964 -75.5984 -31.5131 -104.085 115.961 -104.086 112.164 GPRESSURE: 1957000 58.5552 -58.0162 147.551 -35.7745 -21.8945 -40.2908 60.9918 -146.768 200.238 PRESSAVG: 1957000 -14.1015 5.05239 -13.7223 5.05234 -21.951 -3.32406 -13.7224 -3.3241 82.3177 GPRESSAVG: 1957000 -15.9301 4.04552 -13.0196 5.61144 -21.9991 -2.69287 -15.2517 -3.19696 84.2551 TIMING: 1957000 CPU: 5679.94, 0.00288647/step Wall: 5679.94, 0.00288647/step, 2.43987 hours remaining, 205.125000 MB of memory in use. ENERGY: 1957000 735.9559 2117.5818 1954.1756 115.4408 -206262.0135 17716.4328 0.0000 0.0000 34461.8409 -149160.5857 300.9638 -183622.4266 -149071.1531 299.9685 44.0841 78.9661 554620.4852 15.4217 15.4420 PRESSURE: 1957200 -33.9512 -109.969 18.2332 -109.97 16.138 -17.1699 18.2343 -17.1685 38.4226 GPRESSURE: 1957200 40.3668 -170.883 25.886 -80.2425 -15.2318 -13.885 45.1324 1.48797 95.0655 PRESSAVG: 1957200 -47.1775 1.6682 15.8555 1.66819 8.57188 18.012 15.8553 18.0122 55.8254 GPRESSAVG: 1957200 -44.9998 -0.459722 15.7658 3.43855 8.57275 19.4248 15.6142 19.3464 54.0976 TIMING: 1957200 CPU: 5680.52, 0.0028826/step Wall: 5680.52, 0.0028826/step, 2.43644 hours remaining, 205.125000 MB of memory in use. ENERGY: 1957200 728.2777 2112.9921 1976.8061 106.9891 -205979.4582 17731.8904 0.0000 0.0000 34183.0256 -149139.4773 298.5289 -183322.5029 -149037.7593 299.4586 6.8698 40.0669 557644.7795 5.7399 5.8902 PRESSURE: 1957400 75.323 30.9669 -36.1483 30.9674 -13.2754 -131.06 -36.1487 -131.06 67.8724 GPRESSURE: 1957400 94.2141 74.4447 -108.86 48.3512 2.49611 -82.2941 0.942233 -184.724 140.679 PRESSAVG: 1957400 59.6461 -5.13974 16.7483 -5.13974 -73.1905 17.4833 16.7483 17.4833 8.98949 GPRESSAVG: 1957400 59.2957 -3.05639 15.4551 -7.47543 -73.4246 19.0175 19.0119 15.2011 9.79478 TIMING: 1957400 CPU: 5681.09, 0.00287697/step Wall: 5681.09, 0.00287697/step, 2.43152 hours remaining, 205.125000 MB of memory in use. ENERGY: 1957400 686.4616 2127.6961 1955.8954 119.6975 -206173.0894 17706.1832 0.0000 0.0000 34401.6827 -149175.4729 300.4385 -183577.1556 -149080.1820 299.0270 43.3067 79.1298 557426.9669 -1.5183 -1.4447 PRESSURE: 1957600 198.334 -38.5329 48.3057 -38.5324 -331.388 -42.468 48.3074 -42.4679 44.487 GPRESSURE: 1957600 202.887 43.2935 -2.38893 -90.2174 -272.786 -53.214 62.9802 -58.3304 73.5981 PRESSAVG: 1957600 17.1809 30.1265 33.0408 30.1265 -48.7009 28.8433 33.0409 28.8432 57.6519 GPRESSAVG: 1957600 17.4025 31.4489 32.8866 30.1761 -48.4815 28.0174 33.4303 28.5887 57.4196 TIMING: 1957600 CPU: 5681.67, 0.00288189/step Wall: 5681.67, 0.00288189/step, 2.43551 hours remaining, 205.125000 MB of memory in use. ENERGY: 1957600 709.9270 2072.7355 1981.2616 122.8454 -205757.1677 17631.3023 0.0000 0.0000 34154.9233 -149084.1726 298.2834 -183239.0959 -148986.3884 299.4280 -29.5223 1.2332 558094.8725 8.7106 8.7802 PRESSURE: 1957800 399.971 79.5809 -36.1269 79.581 163.547 -99.2469 -36.1267 -99.2466 248.548 GPRESSURE: 1957800 461.321 188.409 -101.454 27.0996 139.929 -89.1215 -89.3229 -76.7341 316.245 PRESSAVG: 1957800 -30.347 67.7301 26.1496 67.73 -46.2985 -51.6569 26.1497 -51.6569 67.8766 GPRESSAVG: 1957800 -30.8349 66.4087 28.3459 67.8828 -46.5622 -53.4198 23.5755 -50.2763 68.8683 TIMING: 1957800 CPU: 5682.24, 0.00286997/step Wall: 5682.24, 0.00286997/step, 2.42529 hours remaining, 205.125000 MB of memory in use. ENERGY: 1957800 731.0908 2150.8908 1990.6730 108.8055 -206272.6466 18105.5903 0.0000 0.0000 34074.0787 -149111.5175 297.5774 -183185.5962 -149018.0322 299.4517 270.6886 305.8318 556226.8249 -2.9230 -2.8429 PRESSURE: 1958000 -80.0116 -65.6802 -85.345 -65.6788 -84.2039 15.676 -85.3439 15.6752 177.824 GPRESSURE: 1958000 -34.9436 -140.523 -142.337 -54.1023 -52.4112 20.2341 -67.7762 -20.7346 198.166 PRESSAVG: 1958000 -42.8972 -31.6219 -36.9861 -31.6219 1.05092 -11.225 -36.9861 -11.225 54.5555 GPRESSAVG: 1958000 -42.8745 -33.0618 -37.8613 -30.3824 2.02046 -10.249 -34.9207 -13.5735 54.4226 TIMING: 1958000 CPU: 5682.82, 0.00288392/step Wall: 5682.82, 0.00288392/step, 2.43692 hours remaining, 205.125000 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: 1958000 744.3011 2067.2543 1956.4215 104.6157 -206040.6403 17768.4222 0.0000 0.0000 34449.6214 -148950.0041 300.8571 -183399.6255 -148858.0543 299.6785 4.5361 36.9370 558042.0862 4.2364 4.5229 PRESSURE: 1958200 -366.048 -27.4346 -40.563 -27.436 -170.054 -116.821 -40.5622 -116.821 -161.506 GPRESSURE: 1958200 -346.575 -22.5981 -33.5703 -35.2198 -98.7305 -68.97 -87.8169 -60.3599 -144.907 PRESSAVG: 1958200 -75.046 -58.8171 17.3537 -58.8171 9.08136 28.0876 17.3538 28.0876 38.9645 GPRESSAVG: 1958200 -75.2959 -57.0868 16.9351 -60.4397 9.51101 28.078 18.6663 29.9442 38.2035 TIMING: 1958200 CPU: 5683.39, 0.00287656/step Wall: 5683.39, 0.00287656/step, 2.43053 hours remaining, 205.125000 MB of memory in use. ENERGY: 1958200 738.5968 2081.4403 1977.8742 114.7497 -205564.6860 17360.7810 0.0000 0.0000 34229.6402 -149061.6039 298.9360 -183291.2441 -148968.6502 300.1432 -232.5358 -196.7374 558096.1788 -9.0001 -9.1938 PRESSURE: 1958400 0.0554577 -216.356 116.669 -216.355 -298.316 -53.6093 116.67 -53.6093 45.1599 GPRESSURE: 1958400 36.5104 -125.836 80.5268 -190.284 -258.481 -169.607 43.5529 12.7909 77.2247 PRESSAVG: 1958400 -38.4678 -59.1453 -2.49694 -59.1453 25.9082 65.1162 -2.49695 65.1162 -10.4659 GPRESSAVG: 1958400 -38.4691 -59.1655 -3.38407 -59.0449 26.9673 61.233 -5.07626 65.6971 -11.367 TIMING: 1958400 CPU: 5683.97, 0.00288045/step Wall: 5683.97, 0.00288045/step, 2.43366 hours remaining, 205.125000 MB of memory in use. ENERGY: 1958400 714.3086 2095.4591 1990.4485 115.8697 -205756.3302 17605.3428 0.0000 0.0000 34133.7578 -149101.1436 298.0986 -183234.9014 -149001.8410 299.4186 -84.3670 -48.2485 557681.3896 -7.6752 -7.6230 PRESSURE: 1958600 -286.934 149.88 -1.0233 149.881 198.283 30.9943 -1.02307 30.9916 205.084 GPRESSURE: 1958600 -221.936 166.53 74.4369 233.111 207.338 62.5184 10.3158 -20.5012 224.457 PRESSAVG: 1958600 12.2227 -22.6608 8.80854 -22.6608 29.6198 -33.2857 8.80845 -33.2857 2.21266 GPRESSAVG: 1958600 12.3921 -21.0765 10.7083 -22.0336 28.4685 -29.9562 10.2686 -35.1489 2.54387 TIMING: 1958600 CPU: 5684.54, 0.00286931/step Wall: 5684.54, 0.00286931/step, 2.42409 hours remaining, 205.125000 MB of memory in use. ENERGY: 1958600 764.0616 2098.8539 1960.3387 122.1658 -206444.7281 17892.7591 0.0000 0.0000 34358.7388 -149247.8103 300.0634 -183606.5491 -149148.7726 299.3232 38.8112 69.9530 557228.1082 14.6851 14.4682 PRESSURE: 1958800 147.256 87.6813 14.0487 87.6827 -87.0391 -3.18312 14.0484 -3.18391 -130.424 GPRESSURE: 1958800 169.049 34.7209 -176.681 129.242 -55.5848 66.1277 86.8167 -85.4702 -84.8499 PRESSAVG: 1958800 -63.8378 -3.70113 3.34047 -3.70108 78.3478 -22.1641 3.34056 -22.164 5.04495 GPRESSAVG: 1958800 -64.8539 -6.81532 2.94789 -3.20517 77.007 -24.0195 1.9915 -20.6037 7.0192 TIMING: 1958800 CPU: 5685.12, 0.00286685/step Wall: 5685.12, 0.00286685/step, 2.42185 hours remaining, 205.125000 MB of memory in use. ENERGY: 1958800 771.1041 2051.5298 1976.0088 116.2444 -206335.2579 17916.0058 0.0000 0.0000 34286.3053 -149218.0596 299.4308 -183504.3649 -149123.8150 299.2059 -23.4026 9.5380 558125.7667 6.5183 6.3907 PRESSURE: 1959000 -229.515 -62.093 66.2941 -62.0938 -124.564 -50.6158 66.2938 -50.6152 177.003 GPRESSURE: 1959000 -196.01 -118.845 65.6754 -8.2469 -93.1936 -36.2811 55.9812 -28.7952 189.767 PRESSAVG: 1959000 70.2716 -0.814463 -14.9108 -0.81453 -8.24144 -46.979 -14.9109 -46.9791 -24.0698 GPRESSAVG: 1959000 71.738 0.867912 -14.8643 -1.79992 -7.51438 -46.6815 -12.4591 -45.1354 -26.0008 TIMING: 1959000 CPU: 5685.69, 0.00287224/step Wall: 5685.69, 0.00287224/step, 2.42624 hours remaining, 205.125000 MB of memory in use. ENERGY: 1959000 745.6247 2081.0228 1980.4369 113.5184 -206019.7749 17743.6487 0.0000 0.0000 34259.8012 -149095.7223 299.1994 -183355.5235 -148988.6711 298.9028 -59.0253 -33.1455 558303.1749 12.6534 12.7410 PRESSURE: 1959200 52.1408 -98.296 -102.002 -98.2951 -15.621 28.1709 -102.003 28.1709 40.6655 GPRESSURE: 1959200 147.363 -88.3231 -39.7621 -97.5813 -36.3695 12.3639 -99.9221 35.037 60.6809 PRESSAVG: 1959200 23.5315 -35.8476 -25.3838 -35.8477 5.53512 82.7246 -25.3837 82.7246 -55.253 GPRESSAVG: 1959200 23.6015 -37.2576 -23.8342 -39.1289 5.82323 86.2213 -29.4022 80.1154 -55.9367 TIMING: 1959200 CPU: 5686.27, 0.00287629/step Wall: 5686.27, 0.00287629/step, 2.4295 hours remaining, 205.125000 MB of memory in use. ENERGY: 1959200 742.6990 2122.9546 1975.6327 116.9155 -206348.6161 17888.7242 0.0000 0.0000 34384.3228 -149117.3674 300.2868 -183501.6902 -149020.3662 299.2777 25.7285 57.2247 557668.9053 -8.7288 -8.8373 PRESSURE: 1959400 147.044 -168.565 -10.5666 -168.565 -148.392 117.751 -10.5671 117.751 -444.215 GPRESSURE: 1959400 137.073 -145.958 -29.9112 -136.639 -107.449 -0.0194185 -5.87228 121.033 -394.382 PRESSAVG: 1959400 21.2527 -13.0781 -35.2045 -13.0782 -42.4019 4.79477 -35.2044 4.79463 32.5825 GPRESSAVG: 1959400 20.1544 -13.107 -36.6244 -9.24347 -42.4699 0.556523 -33.4441 5.40304 34.131 TIMING: 1959400 CPU: 5686.84, 0.00285487/step Wall: 5686.84, 0.00285487/step, 2.41125 hours remaining, 205.125000 MB of memory in use. ENERGY: 1959400 753.4773 2109.9155 2017.5610 117.0709 -205982.4220 17600.1216 0.0000 0.0000 34331.8672 -149052.4085 299.8287 -183384.2757 -148953.3098 299.5009 -148.5211 -121.5859 558356.3042 3.8111 3.9385 PRESSURE: 1959600 -311.315 -94.8437 -133.393 -94.8444 -141.097 55.4352 -133.394 55.4358 -78.9995 GPRESSURE: 1959600 -236.536 -82.5895 -102.055 -128.224 -96.3077 82.608 -171.339 84.333 -94.89 PRESSAVG: 1959600 39.2496 -71.2723 -55.4342 -71.2723 -17.9617 14.9296 -55.4342 14.9297 11.4621 GPRESSAVG: 1959600 40.5406 -71.7186 -52.7515 -70.8062 -18.5572 18.3975 -55.3424 13.884 10.706 TIMING: 1959600 CPU: 5687.41, 0.00286912/step Wall: 5687.41, 0.00286912/step, 2.42313 hours remaining, 205.125000 MB of memory in use. ENERGY: 1959600 750.6384 2076.6359 1996.3331 118.9230 -205709.0887 17509.5241 0.0000 0.0000 34209.5033 -149047.5308 298.7601 -183257.0342 -148948.4861 299.3211 -177.1373 -142.5778 558781.8633 10.9167 10.8965 PRESSURE: 1959800 -26.6227 -131.722 133.312 -131.722 -83.93 -29.3226 133.313 -29.3209 8.83659 GPRESSURE: 1959800 -5.22132 -112.227 191.142 -168.32 -50.302 32.1262 103.069 12.88 45.2189 PRESSAVG: 1959800 -36.3089 -10.6888 22.9841 -10.6889 30.2214 42.1095 22.9841 42.1094 41.2921 GPRESSAVG: 1959800 -37.1073 -7.98596 22.8549 -15.1306 29.5676 40.7971 24.9375 43.4127 43.0389 TIMING: 1959800 CPU: 5687.99, 0.00288426/step Wall: 5687.99, 0.00288426/step, 2.43576 hours remaining, 205.125000 MB of memory in use. ENERGY: 1959800 734.5631 2044.3172 1992.4620 115.9519 -205786.4312 17744.2674 0.0000 0.0000 34231.3649 -148923.5048 298.9510 -183154.8697 -148826.5149 299.4171 -33.9054 -3.4348 557784.7497 11.7349 11.8331 PRESSURE: 1960000 61.6431 -132.438 -52.59 -132.439 4.22307 -212.824 -52.59 -212.823 137.26 GPRESSURE: 1960000 67.4703 -132.425 21.0689 -128.912 91.8576 -171.737 -100.795 -145.718 130.86 PRESSAVG: 1960000 -51.8735 -17.5226 27.8129 -17.5226 16.3841 23.0832 27.8129 23.0832 8.79459 GPRESSAVG: 1960000 -51.9552 -18.5056 25.2561 -14.7609 17.2046 22.4724 25.5367 23.7552 8.12299 TIMING: 1960000 CPU: 5688.57, 0.00288606/step Wall: 5688.57, 0.00288606/step, 2.43712 hours remaining, 205.125000 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: 1960000 707.6725 2083.3254 1976.6588 112.6185 -205726.4578 17586.9886 0.0000 0.0000 34346.8893 -148912.3048 299.9599 -183259.1941 -148817.9106 299.5498 67.7088 96.7293 558584.6698 -8.8983 -8.8759 PRESSURE: 1960200 -163.529 -115.533 166.761 -115.534 -24.9053 -185.17 166.761 -185.172 18.955 GPRESSURE: 1960200 -92.0747 -75.77 184.065 -97.9535 -0.765876 -193.786 105.871 -112.13 14.6232 PRESSAVG: 1960200 -6.50516 -11.2101 -27.4697 -11.2101 -31.5933 -35.9179 -27.4696 -35.9179 -32.8099 GPRESSAVG: 1960200 -5.88576 -11.6558 -25.8329 -11.7243 -31.1799 -36.0246 -27.857 -36.5885 -34.4808 TIMING: 1960200 CPU: 5689.14, 0.00287605/step Wall: 5689.14, 0.00287605/step, 2.42851 hours remaining, 205.125000 MB of memory in use. ENERGY: 1960200 751.9337 2064.8191 1957.8920 128.7481 -206140.3518 17806.0004 0.0000 0.0000 34288.1387 -149142.8199 299.4468 -183430.9586 -149044.5031 299.6216 -56.4932 -26.0725 559951.6352 -23.6361 -23.8488 LDB: ============= START OF LOAD BALANCING ============== 5692.61 LDB: ============== END OF LOAD BALANCING =============== 5692.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5692.61 LDB: ============= START OF LOAD BALANCING ============== 5692.9 LDB: Largest compute 4820 load 0.029812 is 25.3% of average load 0.117890 LDB: Average compute 0.001716 is 1.5% of average load 0.117890 LDB: TIME 5692.9 LOAD: AVG 0.11789 MAX 0.178678 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.699 MB LDB: TIME 5692.9 LOAD: AVG 0.11789 MAX 0.178678 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.902 MB LDB: TIME 5692.9 LOAD: AVG 0.11789 MAX 0.178678 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.902 MB LDB: ============== END OF LOAD BALANCING =============== 5692.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5692.9 PRESSURE: 1960400 -63.9387 95.2915 48.7955 95.2919 -17.4358 -99.9805 48.7962 -99.979 17.451 GPRESSURE: 1960400 -46.5527 -5.70206 37.3039 80.6072 23.9809 -63.7376 95.8878 -115.661 60.6312 PRESSAVG: 1960400 -11.9937 2.74964 0.799762 2.74971 12.5203 -40.9437 0.799825 -40.9437 3.85681 GPRESSAVG: 1960400 -12.5741 3.18611 -0.571233 1.04229 11.7117 -40.0497 1.66284 -41.5232 5.41888 TIMING: 1960400 CPU: 5689.73, 0.00293808/step Wall: 5689.73, 0.00293808/step, 2.48072 hours remaining, 206.445312 MB of memory in use. ENERGY: 1960400 758.2904 2044.6615 1972.3419 110.2619 -206609.7858 18019.0676 0.0000 0.0000 34606.3210 -149098.8415 302.2256 -183705.1625 -148996.5290 299.5377 -21.3078 12.6865 558030.2030 1.4611 1.5188 PRESSURE: 1960600 50.1816 143.655 33.4097 143.656 14.745 -133.65 33.4094 -133.651 94.5735 GPRESSURE: 1960600 0.829061 192.546 6.63554 112.547 94.8961 -37.5575 -36.9574 -173.238 158.11 PRESSAVG: 1960600 -45.1617 41.7443 92.5498 41.7443 13.7484 51.1316 92.5497 51.1316 50.3722 GPRESSAVG: 1960600 -45.907 39.0207 94.1351 44.0157 14.4011 51.1204 90.9393 50.3082 50.179 TIMING: 1960600 CPU: 5690.31, 0.00288033/step Wall: 5690.31, 0.00288034/step, 2.4318 hours remaining, 206.687500 MB of memory in use. ENERGY: 1960600 757.4464 2101.3291 1956.7780 113.5971 -206331.2040 17978.6671 0.0000 0.0000 34278.3138 -149145.0725 299.3610 -183423.3863 -149054.1248 298.9438 53.1667 84.6116 558532.1994 6.3197 6.2243 PRESSURE: 1960800 -68.4474 189.596 -174.112 189.597 195.844 29.6622 -174.112 29.663 -97.3383 GPRESSURE: 1960800 -6.66476 184.768 -178.823 219.551 159.963 49.0652 -167.438 -24.2128 -23.3051 PRESSAVG: 1960800 -36.9574 -3.9207 -14.7976 -3.92074 48.1731 -27.5186 -14.7976 -27.5186 -19.9889 GPRESSAVG: 1960800 -34.8641 -3.68007 -17.4048 -3.03233 47.1773 -27.0555 -11.4932 -27.0041 -21.0667 TIMING: 1960800 CPU: 5690.88, 0.00287639/step Wall: 5690.88, 0.00287639/step, 2.42831 hours remaining, 206.687500 MB of memory in use. ENERGY: 1960800 765.3981 2084.2254 1962.1676 116.3059 -206207.0697 17974.4039 0.0000 0.0000 34222.7972 -149081.7716 298.8762 -183304.5689 -148984.0103 299.0948 10.0193 43.3310 558860.5190 -2.9244 -2.9178 PRESSURE: 1961000 -297.922 -211.86 -94.9761 -211.859 89.1812 -72.0055 -94.9771 -72.0051 40.5725 GPRESSURE: 1961000 -290.193 -220.592 -94.9844 -241.611 106.736 -144.5 -76.6717 -11.214 113.24 PRESSAVG: 1961000 -19.093 -1.10365 1.15837 -1.10371 24.4116 7.09079 1.15841 7.09093 -11.7322 GPRESSAVG: 1961000 -20.3268 -1.82654 0.715518 -1.61557 24.8916 5.68728 0.519237 9.04989 -11.0022 TIMING: 1961000 CPU: 5691.46, 0.00289895/step Wall: 5691.46, 0.00289895/step, 2.44719 hours remaining, 206.687500 MB of memory in use. ENERGY: 1961000 715.8720 2024.0697 1979.3634 121.5246 -205867.5376 17566.3847 0.0000 0.0000 34412.1253 -149048.1980 300.5296 -183460.3233 -148953.6771 299.1655 -56.0561 -23.4054 559057.5706 -2.1379 -2.1458 PRESSURE: 1961200 198.11 31.5661 89.5336 31.5669 90.2669 -109.272 89.5343 -109.272 182.434 GPRESSURE: 1961200 272.529 38.7588 53.3658 58.0387 162.477 -36.7729 43.4132 -40.8815 130.99 PRESSAVG: 1961200 9.56626 -49.0083 -3.25864 -49.0084 53.5009 13.0918 -3.25859 13.0919 -33.2562 GPRESSAVG: 1961200 9.27906 -47.5535 -2.41429 -52.324 54.5563 12.505 -4.77031 12.8279 -33.6815 TIMING: 1961200 CPU: 5692.04, 0.00288137/step Wall: 5692.04, 0.00288137/step, 2.4322 hours remaining, 206.687500 MB of memory in use. ENERGY: 1961200 715.0551 2075.3072 1988.2719 105.5737 -206553.3282 18129.8994 0.0000 0.0000 34375.7788 -149163.4422 300.2122 -183539.2210 -149072.1436 299.6290 156.9368 188.6652 557763.8986 9.9370 10.0513 PRESSURE: 1961400 -100.665 -34.6872 81.8643 -34.686 67.2785 36.2584 81.8653 36.2581 37.7388 GPRESSURE: 1961400 -86.3076 -92.1699 76.9083 -15.5448 77.8366 -18.2529 32.5898 -59.1862 101.944 PRESSAVG: 1961400 -9.13992 5.28806 52.4935 5.28806 36.2113 -13.2955 52.4935 -13.2956 -9.16061 GPRESSAVG: 1961400 -8.77014 3.8622 51.9072 9.06199 35.8363 -14.2021 54.5312 -12.7583 -9.06699 TIMING: 1961400 CPU: 5692.61, 0.00288983/step Wall: 5692.61, 0.00288983/step, 2.43918 hours remaining, 206.687500 MB of memory in use. ENERGY: 1961400 722.2488 2015.1027 1975.4004 115.3802 -206358.4568 17854.2936 0.0000 0.0000 34402.7138 -149273.3173 300.4475 -183676.0311 -149181.0370 299.4017 1.4509 31.1576 556830.4390 5.9702 5.9997 PRESSURE: 1961600 -91.6281 47.5788 -207.936 47.5788 179.393 161.719 -207.937 161.719 173.014 GPRESSURE: 1961600 -77.3459 26.8419 -162.98 84.0963 208.114 115.828 -151.771 137.386 225.628 PRESSAVG: 1961600 40.0355 20.8292 -26.4826 20.8292 46.9465 40.1643 -26.4826 40.1644 -61.8955 GPRESSAVG: 1961600 39.8646 22.7292 -25.9438 20.3042 46.9351 41.5926 -26.7282 38.257 -61.3226 TIMING: 1961600 CPU: 5693.19, 0.00286699/step Wall: 5693.19, 0.00286699/step, 2.41974 hours remaining, 206.687500 MB of memory in use. ENERGY: 1961600 688.2524 2073.5551 1973.0809 110.5351 -206333.9109 17853.8121 0.0000 0.0000 34117.0063 -149517.6690 297.9523 -183634.6752 -149418.7421 298.7441 86.9264 118.7986 555785.2474 8.3622 8.4924 PRESSURE: 1961800 333.912 -5.46907 -67.7487 -5.46864 -0.56868 -84.0291 -67.7495 -84.0283 252.939 GPRESSURE: 1961800 379.497 -28.7345 -18.0402 41.7828 50.889 -112.737 -19.4416 -7.37756 250.802 PRESSAVG: 1961800 53.1116 2.1077 26.743 2.10764 9.60457 -8.85382 26.743 -8.85374 -39.7324 GPRESSAVG: 1961800 52.7566 2.04304 25.8112 -1.54371 10.0478 -8.92753 28.8518 -7.18196 -39.7288 TIMING: 1961800 CPU: 5693.76, 0.0028732/step Wall: 5693.76, 0.0028732/step, 2.42482 hours remaining, 206.980469 MB of memory in use. ENERGY: 1961800 692.7929 2082.3106 1967.4591 102.2850 -206335.5742 18134.8393 0.0000 0.0000 33951.4708 -149404.4165 296.5066 -183355.8872 -149305.7537 297.9983 195.4274 227.0625 557224.2972 7.6612 7.6919 PRESSURE: 1962000 375.521 -49.6669 -163.913 -49.6671 27.4794 152.959 -163.912 152.959 356.918 GPRESSURE: 1962000 395.12 -147.717 -202.222 -23.9268 82.1285 185.665 -149.954 42.8348 385.186 PRESSAVG: 1962000 19.5541 -31.3278 -22.142 -31.3278 -28.2634 68.6241 -22.1421 68.6241 -35.1892 GPRESSAVG: 1962000 20.2042 -32.1574 -21.8684 -28.3336 -26.7179 69.2427 -23.884 67.6469 -36.83 TIMING: 1962000 CPU: 5694.34, 0.00286585/step Wall: 5694.34, 0.00286585/step, 2.41846 hours remaining, 206.980469 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: 1962000 683.7895 2107.3476 1965.9440 106.0787 -206410.2358 18079.7618 0.0000 0.0000 34312.3835 -149154.9307 299.6586 -183467.3142 -149062.5859 298.8543 253.3064 287.4779 555759.7319 -14.6328 -14.4479 PRESSURE: 1962200 435.368 -54.2587 -75.0265 -54.2584 202.212 -9.82155 -75.0269 -9.82213 168.022 GPRESSURE: 1962200 472.614 81.7842 -49.0378 -10.6667 184.448 56.0774 -129.531 -35.4525 251.095 PRESSAVG: 1962200 27.783 32.0723 -31.323 32.0724 -5.91108 53.5003 -31.3231 53.5003 2.34369 GPRESSAVG: 1962200 28.5889 33.5136 -30.0304 33.2782 -7.58477 52.476 -31.011 54.6412 2.88573 TIMING: 1962200 CPU: 5694.91, 0.00287722/step Wall: 5694.91, 0.00287722/step, 2.4279 hours remaining, 206.980469 MB of memory in use. ENERGY: 1962200 714.6838 2125.3992 1970.4851 106.7898 -206496.4343 18117.9444 0.0000 0.0000 34300.8834 -149160.2486 299.5581 -183461.1320 -149067.2370 298.6462 268.5340 302.7192 556449.3144 8.0719 7.9633 PRESSURE: 1962400 138.124 -11.7804 9.14319 -11.7799 91.7726 -19.8783 9.1433 -19.8782 78.2497 GPRESSURE: 1962400 228.884 27.7829 -35.5953 -30.1571 110.276 -43.4253 24.1603 63.5999 77.066 PRESSAVG: 1962400 -15.4981 15.088 16.0671 15.088 15.9421 16.9929 16.0672 16.9929 10.7874 GPRESSAVG: 1962400 -15.3576 14.2095 15.2272 12.6745 13.9379 18.8328 15.3395 15.5694 12.0504 TIMING: 1962400 CPU: 5695.49, 0.0028965/step Wall: 5695.49, 0.0028965/step, 2.444 hours remaining, 206.980469 MB of memory in use. ENERGY: 1962400 731.7780 2149.5231 1987.2980 124.3685 -206953.0233 18312.9264 0.0000 0.0000 34329.1660 -149317.9633 299.8051 -183647.1293 -149221.7823 299.0230 102.7153 138.7420 557360.6366 3.7438 3.5436 PRESSURE: 1962600 -100.245 88.7094 72.9936 88.7082 -247.114 28.1442 72.9933 28.1435 -53.7725 GPRESSURE: 1962600 -67.9342 114.687 33.6787 117.337 -218.981 53.5544 111.206 52.5142 -20.2803 PRESSAVG: 1962600 -26.9966 42.1803 20.8781 42.1804 -31.2873 33.6072 20.8781 33.6072 23.2607 GPRESSAVG: 1962600 -28.087 43.9361 21.0455 41.4703 -30.0905 32.9501 20.3154 32.6652 23.2534 TIMING: 1962600 CPU: 5696.07, 0.00288725/step Wall: 5696.07, 0.00288725/step, 2.43604 hours remaining, 206.980469 MB of memory in use. ENERGY: 1962600 751.9756 2108.3177 1953.7805 121.8921 -206025.5712 17612.3123 0.0000 0.0000 34230.4183 -149246.8747 298.9428 -183477.2930 -149150.3960 298.0906 -133.7105 -102.3984 557575.9736 -11.6744 -11.6414 PRESSURE: 1962800 -334.646 96.4751 102.687 96.4744 39.4308 -148.586 102.687 -148.588 -49.8384 GPRESSURE: 1962800 -285.459 73.1336 23.7109 98.3594 85.0483 -135.31 136.609 -125.872 -58.5458 PRESSAVG: 1962800 0.669959 37.388 14.3521 37.3879 27.167 21.2795 14.3523 21.2795 9.28143 GPRESSAVG: 1962800 0.641722 33.853 15.6628 38.6817 28.9027 20.4033 16.6448 22.9703 8.033 TIMING: 1962800 CPU: 5696.64, 0.00286913/step Wall: 5696.64, 0.00286913/step, 2.42059 hours remaining, 206.980469 MB of memory in use. ENERGY: 1962800 746.2125 2099.9538 1965.3818 115.8018 -205921.8712 17644.0280 0.0000 0.0000 34031.0933 -149319.4000 297.2020 -183350.4933 -149228.2428 298.4796 -115.0179 -86.3188 557175.2871 12.3728 12.5258 PRESSURE: 1963000 -110.033 95.5267 127.01 95.5249 -134.419 119.847 127.009 119.849 -26.0911 GPRESSURE: 1963000 -107.776 17.4796 135.833 82.7721 -86.5306 176.844 99.8962 272.415 10.0529 PRESSAVG: 1963000 -28.8572 17.3665 26.1113 17.3665 23.5636 4.04468 26.1113 4.04465 14.3935 GPRESSAVG: 1963000 -28.4207 19.6495 26.1119 17.1214 23.2479 3.95849 25.0029 4.77392 14.0404 TIMING: 1963000 CPU: 5697.22, 0.00288232/step Wall: 5697.22, 0.00288232/step, 2.43156 hours remaining, 206.980469 MB of memory in use. ENERGY: 1963000 742.2173 2102.2581 1957.2475 111.5915 -206129.3919 17604.7828 0.0000 0.0000 34233.4875 -149377.8072 298.9696 -183611.2947 -149280.5707 298.7706 -90.1809 -61.4180 558121.8986 3.0333 2.9559 PRESSURE: 1963200 77.0148 68.2829 -61.7186 68.2825 -185.003 1.98307 -61.7194 1.98194 -183.039 GPRESSURE: 1963200 109.919 77.7899 -82.4696 41.7812 -84.3061 42.1082 9.12285 -27.1248 -217.158 PRESSAVG: 1963200 -10.9463 13.6042 14.745 13.6042 -36.9275 -1.53113 14.745 -1.53117 27.7673 GPRESSAVG: 1963200 -9.30362 11.8525 14.5916 13.2802 -38.2944 -1.90405 15.4104 -2.46462 27.5972 TIMING: 1963200 CPU: 5697.8, 0.00290106/step Wall: 5697.8, 0.00290106/step, 2.4472 hours remaining, 206.980469 MB of memory in use. ENERGY: 1963200 791.3404 2045.9573 1962.9002 110.9289 -206011.7232 17760.7628 0.0000 0.0000 33876.0091 -149463.8246 295.8476 -183339.8337 -149381.1419 298.6647 -97.0090 -63.8483 558415.2441 -6.7022 -6.6670 PRESSURE: 1963400 48.3143 72.887 61.5823 72.8877 181.644 -28.5064 61.5826 -28.506 101.958 GPRESSURE: 1963400 95.6362 175.287 13.177 26.7725 204.309 11.0047 71.3003 -76.024 134.77 PRESSAVG: 1963400 -60.0959 14.2504 5.74327 14.2504 39.7255 -11.3048 5.74333 -11.3047 42.0685 GPRESSAVG: 1963400 -61.2669 15.4807 3.62246 14.3307 40.4532 -11.2417 7.31294 -12.0577 42.6922 TIMING: 1963400 CPU: 5698.38, 0.00292512/step Wall: 5698.38, 0.00292512/step, 2.46734 hours remaining, 206.980469 MB of memory in use. ENERGY: 1963400 764.0657 2062.5348 1975.0063 115.0155 -206331.0731 17964.5229 0.0000 0.0000 34167.5783 -149282.3494 298.3940 -183449.9277 -149182.0193 298.4146 110.6387 144.9052 557090.5033 7.2327 7.2928 PRESSURE: 1963600 -365.654 30.479 4.02294 30.4783 -177.937 -139.248 4.0242 -139.249 92.2234 GPRESSURE: 1963600 -348.496 56.4925 -0.840415 -4.73496 -101.959 -103.254 1.96749 -135.252 94.2106 PRESSAVG: 1963600 -43.9797 47.2139 42.0677 47.2138 -23.497 -36.6032 42.0677 -36.6032 44.4939 GPRESSAVG: 1963600 -44.922 47.508 43.7832 46.7081 -22.6214 -35.4343 38.6476 -38.6528 44.2388 TIMING: 1963600 CPU: 5698.96, 0.00290105/step Wall: 5698.96, 0.00290105/step, 2.44687 hours remaining, 206.980469 MB of memory in use. ENERGY: 1963600 757.7173 2059.3934 1960.2857 113.7709 -205765.2913 17417.1930 0.0000 0.0000 34129.2384 -149327.6928 298.0591 -183456.9311 -149225.4948 298.6863 -150.4557 -118.7481 558188.0915 -7.6609 -7.7682 PRESSURE: 1963800 -162.201 -41.9274 92.648 -41.927 18.5205 -30.5904 92.6478 -30.5897 -334.555 GPRESSURE: 1963800 -108.182 -68.8425 142.016 -59.2137 58.1048 -22.1813 84.8581 -63.9547 -331.198 PRESSAVG: 1963800 -16.2704 17.0897 52.1794 17.0897 19.0713 -4.49786 52.1793 -4.49795 -9.74936 GPRESSAVG: 1963800 -16.4534 17.4972 53.9019 18.0213 19.952 -5.28526 50.3127 -2.39592 -10.0341 TIMING: 1963800 CPU: 5699.54, 0.00290202/step Wall: 5699.54, 0.00290202/step, 2.44753 hours remaining, 206.980469 MB of memory in use. ENERGY: 1963800 752.7506 2046.8459 1978.0964 109.5106 -205862.5407 17602.9999 0.0000 0.0000 34110.6772 -149261.6601 297.8970 -183372.3374 -149163.4906 298.9737 -159.4118 -127.0918 558311.6955 -2.3162 -2.1785 PRESSURE: 1964000 -195.939 211.465 -101.137 211.465 20.8933 52.2054 -101.137 52.2068 -163.332 GPRESSURE: 1964000 -102.836 179.023 -118.098 142.354 -30.2911 66.3783 -103.94 48.0103 -98.8936 PRESSAVG: 1964000 -34.3686 61.3281 45.7009 61.3281 59.7991 54.6178 45.701 54.6177 -18.6673 GPRESSAVG: 1964000 -34.4319 61.0757 45.3156 60.5244 58.0049 53.5314 48.2808 54.7369 -16.7093 TIMING: 1964000 CPU: 5700.12, 0.00290135/step Wall: 5700.12, 0.00290134/step, 2.4468 hours remaining, 206.980469 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: 1964000 764.3043 2110.1833 1961.2604 117.1394 -206191.2253 17718.7572 0.0000 0.0000 34369.8367 -149149.7439 300.1603 -183519.5806 -149047.9327 298.9029 -112.7927 -77.3403 558424.1469 2.2544 2.2879 PRESSURE: 1964200 57.2408 79.4256 82.4143 79.4265 107.034 -9.22818 82.4144 -9.22883 32.9686 GPRESSURE: 1964200 98.6583 26.8175 176.457 103.293 151.461 0.157051 77.5555 -44.404 61.4629 PRESSAVG: 1964200 -9.93365 -1.86548 29.1314 -1.86541 15.9839 -76.0866 29.1314 -76.0864 -5.13977 GPRESSAVG: 1964200 -9.36598 -2.29084 27.8458 -0.224308 16.8381 -75.7211 29.4555 -77.5143 -6.6275 TIMING: 1964200 CPU: 5700.7, 0.00289195/step Wall: 5700.7, 0.00289195/step, 2.43872 hours remaining, 206.980469 MB of memory in use. ENERGY: 1964200 755.9875 2131.3844 1946.1916 121.5337 -206140.2847 17885.8009 0.0000 0.0000 34241.7893 -149057.5974 299.0421 -183299.3867 -148962.4480 299.1756 65.7478 103.8606 556582.2254 0.3035 0.2815 LDB: ============= START OF LOAD BALANCING ============== 5704.17 LDB: ============== END OF LOAD BALANCING =============== 5704.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5704.17 LDB: ============= START OF LOAD BALANCING ============== 5704.46 LDB: Largest compute 4820 load 0.029752 is 25.3% of average load 0.117816 LDB: Average compute 0.001714 is 1.5% of average load 0.117816 LDB: TIME 5704.46 LOAD: AVG 0.117816 MAX 0.180496 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.121 MB LDB: TIME 5704.46 LOAD: AVG 0.117816 MAX 0.180496 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.324 MB LDB: TIME 5704.46 LOAD: AVG 0.117816 MAX 0.180496 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5704.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5704.47 PRESSURE: 1964400 57.2394 -5.73328 6.36733 -5.73241 72.0617 35.8924 6.3675 35.8918 193.804 GPRESSURE: 1964400 90.1334 -6.96368 3.8773 3.42205 92.7614 71.1858 -26.8843 92.8978 233.248 PRESSAVG: 1964400 -41.0252 -5.20697 13.2267 -5.20693 57.4914 -25.7025 13.2267 -25.7025 -16.5796 GPRESSAVG: 1964400 -41.0199 -6.05457 14.2217 -5.84086 57.6173 -25.4836 13.5888 -24.3266 -16.6412 TIMING: 1964400 CPU: 5701.3, 0.00296514/step Wall: 5701.3, 0.00296514/step, 2.50027 hours remaining, 206.503906 MB of memory in use. ENERGY: 1964400 760.8687 2136.5589 1951.6709 115.2090 -206399.9449 17989.1604 0.0000 0.0000 34348.9922 -149097.4849 299.9783 -183446.4771 -149000.2888 299.7413 107.7016 138.7144 556997.1787 -0.0378 -0.0146 PRESSURE: 1964600 2.53845 114.333 -0.100163 114.331 34.5567 55.0118 -0.100033 55.0114 9.92683 GPRESSURE: 1964600 62.6066 102.73 20.7241 123.183 77.0582 -0.350533 6.22898 76.8685 15.8655 PRESSAVG: 1964600 13.2545 5.27964 -25.4182 5.2796 81.1816 -46.1555 -25.4183 -46.1557 -92.4874 GPRESSAVG: 1964600 13.0516 5.63148 -26.3598 5.92711 80.0413 -44.4764 -26.554 -47.0478 -91.0144 TIMING: 1964600 CPU: 5701.88, 0.00290413/step Wall: 5701.88, 0.00290413/step, 2.44867 hours remaining, 206.707031 MB of memory in use. ENERGY: 1964600 749.3737 2161.8647 1957.4235 116.5384 -206002.6648 17866.9091 0.0000 0.0000 34129.0598 -149021.4955 298.0576 -183150.5553 -148928.3445 300.0610 15.6740 51.8434 557202.0842 0.6496 0.6928 PRESSURE: 1964800 53.3108 -54.9703 -110.383 -54.9699 -63.2286 -50.436 -110.383 -50.434 -309.404 GPRESSURE: 1964800 116.849 -17.2217 -125.657 -40.0838 -44.0561 -53.2507 -135.167 20.3333 -289.989 PRESSAVG: 1964800 37.1145 -1.66386 -13.0475 -1.6639 -13.7402 -38.1175 -13.0475 -38.1175 -24.6911 GPRESSAVG: 1964800 38.4349 -0.183528 -12.8816 -2.62024 -12.9583 -39.6653 -14.4338 -38.8416 -26.1585 TIMING: 1964800 CPU: 5702.46, 0.0028923/step Wall: 5702.46, 0.0028923/step, 2.43853 hours remaining, 206.707031 MB of memory in use. ENERGY: 1964800 776.9584 2119.6196 1968.1943 116.7538 -205997.9178 17788.1127 0.0000 0.0000 34392.7266 -148835.5523 300.3602 -183228.2789 -148740.7955 299.9316 -106.4406 -72.3985 558650.8421 -0.4389 -0.2273 PRESSURE: 1965000 -262.383 40.2406 -125.172 40.2407 -252.693 24.5914 -125.172 24.5925 20.595 GPRESSURE: 1965000 -242.736 8.79226 -93.9655 83.8953 -200.763 75.9893 -98.6285 -14.4761 45.0484 PRESSAVG: 1965000 34.6606 16.1317 -38.6201 16.1318 -15.6536 110.181 -38.6201 110.181 -48.8107 GPRESSAVG: 1965000 34.6472 14.0977 -37.1548 17.6629 -16.3091 111.467 -38.0385 110.429 -48.2429 TIMING: 1965000 CPU: 5703.03, 0.00289686/step Wall: 5703.03, 0.00289686/step, 2.44221 hours remaining, 206.707031 MB of memory in use. ENERGY: 1965000 739.4280 2128.0910 1969.2881 116.8764 -205477.7159 17482.2229 0.0000 0.0000 34241.2400 -148800.5696 299.0373 -183041.8096 -148708.7661 300.7826 -164.8270 -132.8170 558751.2354 -9.9345 -9.9683 PRESSURE: 1965200 -103.705 40.3565 35.1306 40.357 -123.881 62.7225 35.1293 62.7213 133.006 GPRESSURE: 1965200 -100.033 88.9666 4.55637 10.1985 -54.297 50.2012 106.089 59.5271 155.333 PRESSAVG: 1965200 -81.3174 49.8234 -2.69049 49.8234 -7.83326 60.4061 -2.69047 60.406 82.7324 GPRESSAVG: 1965200 -81.8115 51.5345 -2.4841 49.177 -7.15866 58.5469 -3.44824 62.5642 82.5929 TIMING: 1965200 CPU: 5703.61, 0.00288039/step Wall: 5703.61, 0.00288039/step, 2.42817 hours remaining, 206.707031 MB of memory in use. ENERGY: 1965200 734.1469 2089.3956 1987.0037 102.7780 -206100.2267 17793.5748 0.0000 0.0000 34513.7292 -148879.5985 301.4170 -183393.3277 -148776.9252 300.2575 -31.5264 0.3346 557741.7396 -2.1394 -2.1258 PRESSURE: 1965400 -300.602 1.91675 44.8975 1.91799 -57.9163 110.153 44.8981 110.152 292.778 GPRESSURE: 1965400 -215.908 -28.3998 27.276 -21.3507 -19.6223 161.858 80.8484 82.7145 267.55 PRESSAVG: 1965400 0.99133 6.64851 3.00907 6.64851 -48.3825 -8.37904 3.00913 -8.37907 35.6109 GPRESSAVG: 1965400 1.39431 3.94067 0.994585 8.026 -48.0975 -7.33287 5.07448 -6.89323 34.6545 TIMING: 1965400 CPU: 5704.19, 0.00289223/step Wall: 5704.19, 0.00289223/step, 2.43799 hours remaining, 206.707031 MB of memory in use. ENERGY: 1965400 724.6762 2039.7738 1972.7977 115.2409 -205769.3071 17586.8198 0.0000 0.0000 34323.6929 -149006.3059 299.7573 -183329.9988 -148913.8233 300.4454 -21.9134 10.6733 558832.6739 -3.9268 -4.0162 PRESSURE: 1965600 -26.0838 -121.902 -66.3142 -121.901 11.3522 -63.4747 -66.314 -63.4751 51.2493 GPRESSURE: 1965600 -11.5116 -122.51 -72.8395 -68.8985 135.412 -50.6897 -10.7732 -50.4155 7.95753 PRESSAVG: 1965600 -16.4685 -53.6269 45.0458 -53.6269 -27.4521 -15.096 45.0457 -15.096 38.0494 GPRESSAVG: 1965600 -17.4927 -53.3534 46.4627 -53.246 -27.0683 -13.0618 45.104 -15.6598 38.2202 TIMING: 1965600 CPU: 5704.77, 0.00291718/step Wall: 5704.77, 0.00291718/step, 2.45886 hours remaining, 206.707031 MB of memory in use. ENERGY: 1965600 775.3160 2113.1473 1985.8863 138.1806 -206369.5875 17857.2136 0.0000 0.0000 34533.8107 -148966.0329 301.5924 -183499.8436 -148874.4792 299.7548 12.1726 43.9525 558149.8431 -1.9571 -2.1136 PRESSURE: 1965800 -128.891 28.3814 -215.95 28.3817 50.888 -101.359 -215.95 -101.357 -21.8578 GPRESSURE: 1965800 -162.674 46.8689 -350.457 -14.1283 54.7153 -65.609 -198.984 -84.9715 98.2034 PRESSAVG: 1965800 -53.4594 -4.05052 -44.476 -4.05047 3.08163 14.3309 -44.4759 14.3307 48.2638 GPRESSAVG: 1965800 -53.0577 -3.89373 -46.8485 -7.46426 1.48709 13.32 -43.6942 11.8354 49.6698 TIMING: 1965800 CPU: 5705.35, 0.00290928/step Wall: 5705.35, 0.00290928/step, 2.45204 hours remaining, 206.707031 MB of memory in use. ENERGY: 1965800 770.9216 2125.5635 1970.9127 118.9789 -205985.1692 17826.3588 0.0000 0.0000 34218.0731 -148954.3606 298.8349 -183172.4337 -148864.6400 299.4251 -33.2871 -3.2517 558340.8826 -0.7047 -0.6336 PRESSURE: 1966000 -227.258 -29.7997 -24.5655 -29.7991 113.376 221.738 -24.5655 221.738 76.0539 GPRESSURE: 1966000 -147.216 -98.6796 10.5686 47.3676 134.345 154.071 -38.7886 207.428 77.5412 PRESSAVG: 1966000 33.615 37.1522 -69.5782 37.1521 -79.4636 -12.5505 -69.5783 -12.5506 21.9133 GPRESSAVG: 1966000 32.9137 37.5326 -66.3476 39.6228 -77.5943 -13.1823 -71.9206 -12.0896 20.7223 TIMING: 1966000 CPU: 5705.93, 0.00289952/step Wall: 5705.93, 0.00289952/step, 2.44365 hours remaining, 206.707031 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: 1966000 747.4114 2094.1465 1948.6342 106.8833 -205993.8188 17779.9686 0.0000 0.0000 34340.6299 -148976.1448 299.9053 -183316.7747 -148875.4783 300.4588 -12.6091 21.5570 557682.8827 -7.9784 -7.9861 PRESSURE: 1966200 47.8356 -0.722376 6.8236 -0.722291 -99.1799 -121.69 6.82377 -121.691 -97.8662 GPRESSURE: 1966200 65.705 -44.7244 -61.5125 -67.8502 3.4428 -79.2371 -11.1316 -122.563 -120.098 PRESSAVG: 1966200 -22.5184 -16.2799 -47.6545 -16.2798 -2.33037 34.0923 -47.6545 34.0924 77.5021 GPRESSAVG: 1966200 -22.4303 -19.0903 -49.199 -15.2081 -3.72901 33.6738 -47.0619 35.3588 79.0094 TIMING: 1966200 CPU: 5706.51, 0.00288088/step Wall: 5706.51, 0.00288088/step, 2.42778 hours remaining, 206.707031 MB of memory in use. ENERGY: 1966200 763.9330 2073.3655 1941.8679 121.4803 -205970.7258 17795.1567 0.0000 0.0000 34322.9613 -148951.9610 299.7510 -183274.9223 -148862.9642 299.8922 -49.7368 -16.9835 558722.5009 17.5511 17.6167 PRESSURE: 1966400 96.5979 -145.429 126.565 -145.427 -17.7297 -7.72118 126.564 -7.7222 278.402 GPRESSURE: 1966400 159.369 -8.47647 92.4672 -242.686 2.15766 -68.1871 192.637 -8.95706 293.291 PRESSAVG: 1966400 -77.6339 27.9592 -34.9258 27.9592 3.55328 15.5244 -34.9257 15.5244 74.0223 GPRESSAVG: 1966400 -78.2598 30.2654 -36.3894 26.6425 4.97394 16.9856 -32.5432 13.5113 72.8254 TIMING: 1966400 CPU: 5707.09, 0.00287485/step Wall: 5707.09, 0.00287485/step, 2.42254 hours remaining, 206.707031 MB of memory in use. ENERGY: 1966400 743.0530 2080.7528 1966.6479 108.3471 -205772.0096 17791.3852 0.0000 0.0000 34079.4759 -149002.3478 297.6245 -183081.8237 -148905.3242 300.0149 119.0901 151.6057 556607.4937 -0.0195 -0.1535 PRESSURE: 1966600 18.2075 75.1202 -4.66028 75.1219 -45.7404 47.1522 -4.65943 47.1519 -56.3255 GPRESSURE: 1966600 36.3841 13.5951 -37.7998 55.1266 -42.2448 111.116 49.1222 -16.3024 25.6571 PRESSAVG: 1966600 -10.1946 -34.513 -3.58994 -34.513 -57.2274 -17.9585 -3.58988 -17.9585 90.2013 GPRESSAVG: 1966600 -8.79308 -34.4045 -2.35514 -35.6022 -57.5129 -19.0445 -4.85571 -17.7394 88.7625 TIMING: 1966600 CPU: 5707.66, 0.00287927/step Wall: 5707.66, 0.00287927/step, 2.4261 hours remaining, 206.707031 MB of memory in use. ENERGY: 1966600 746.4068 2119.8940 1951.0971 103.7342 -206097.5937 17789.9013 0.0000 0.0000 34338.7088 -149047.8514 299.8885 -183386.5603 -148943.9447 299.6542 -27.9528 6.5988 558051.7450 7.5931 7.4855 PRESSURE: 1966800 184.154 150.833 -160.341 150.833 -154.689 53.9225 -160.34 53.9226 218.265 GPRESSURE: 1966800 227.475 66.8023 -141.5 132.015 -95.0644 95.9532 -130.603 -51.3764 221.873 PRESSAVG: 1966800 -42.5751 1.59821 8.71114 1.59819 -8.2389 57.7479 8.71122 57.7478 57.1359 GPRESSAVG: 1966800 -43.6737 1.44072 7.89045 2.01934 -7.52932 57.8944 7.322 57.0001 56.9255 TIMING: 1966800 CPU: 5708.23, 0.00286896/step Wall: 5708.23, 0.00286896/step, 2.41726 hours remaining, 206.707031 MB of memory in use. ENERGY: 1966800 756.8084 2089.3469 1946.1680 117.3002 -206155.3600 17911.4078 0.0000 0.0000 34152.8930 -149181.4358 298.2657 -183334.3287 -149079.8844 299.4943 82.5768 118.0945 557309.2919 2.1073 1.9075 PRESSURE: 1967000 10.0374 -74.0231 49.6226 -74.0233 67.6566 -24.5046 49.6232 -24.5045 -126.124 GPRESSURE: 1967000 32.3921 -13.4449 12.9793 -41.1106 98.2315 -76.2671 41.113 -0.60892 -87.0967 PRESSAVG: 1967000 57.1513 -35.7335 26.4289 -35.7335 -84.2054 39.5322 26.4288 39.5322 23.8445 GPRESSAVG: 1967000 56.1313 -35.2172 25.5243 -35.2248 -84.7609 40.5406 27.0193 40.4033 25.4719 TIMING: 1967000 CPU: 5708.81, 0.00287422/step Wall: 5708.81, 0.00287421/step, 2.42153 hours remaining, 206.707031 MB of memory in use. ENERGY: 1967000 770.4051 2137.6730 1973.0383 115.3046 -206124.5941 17903.1418 0.0000 0.0000 33998.8917 -149226.1396 296.9208 -183225.0313 -149133.0202 299.0270 -16.1434 14.5090 557276.3282 -1.0699 -1.0525 PRESSURE: 1967200 -159.686 -135.076 -78.756 -135.076 342.014 -30.2275 -78.7563 -30.2291 -42.8765 GPRESSURE: 1967200 -93.3219 -210.018 -96.871 -183.98 367.142 18.8558 -140.889 -29.4875 -33.6885 PRESSAVG: 1967200 -43.1577 -6.39266 -10.8863 -6.39267 6.88148 11.0477 -10.8862 11.0477 40.2046 GPRESSAVG: 1967200 -42.0202 -6.40775 -11.2516 -7.30065 7.42825 8.75693 -9.84995 13.0751 38.9989 TIMING: 1967200 CPU: 5709.38, 0.00287005/step Wall: 5709.38, 0.00287005/step, 2.41786 hours remaining, 206.707031 MB of memory in use. ENERGY: 1967200 741.9089 2130.5730 1950.0948 110.2038 -206455.6236 17858.4224 0.0000 0.0000 34424.0225 -149240.3983 300.6336 -183664.4208 -149142.8169 298.8875 46.4838 80.0440 557120.6332 1.3094 1.4690 PRESSURE: 1967400 212.62 43.4579 187.982 43.4583 -58.6064 -8.1652 187.982 -8.16403 -79.856 GPRESSURE: 1967400 220.653 -17.7302 277.569 34.2563 -53.4562 11.232 113.293 1.53764 13.1382 PRESSAVG: 1967400 23.4925 -42.8532 -43.1782 -42.8533 14.7743 26.5914 -43.1782 26.5913 -47.244 GPRESSAVG: 1967400 22.931 -42.4125 -41.5228 -43.7248 14.4733 29.7536 -43.4431 22.2314 -47.2142 TIMING: 1967400 CPU: 5709.96, 0.00288109/step Wall: 5709.96, 0.00288109/step, 2.427 hours remaining, 206.707031 MB of memory in use. ENERGY: 1967400 729.8562 2177.0662 1949.4731 125.0300 -206121.4713 17825.1918 0.0000 0.0000 34127.9868 -149186.8673 298.0482 -183314.8541 -149091.9116 299.3578 24.7192 60.1117 555562.8217 -2.9924 -3.2700 PRESSURE: 1967600 -221.675 98.8775 -19.4072 98.8771 -5.44982 -63.2995 -19.4068 -63.3004 -241.532 GPRESSURE: 1967600 -191.197 187.498 38.954 3.75185 1.43326 -133.212 0.408301 -129.641 -177.939 PRESSAVG: 1967600 -16.0665 -44.4822 19.5737 -44.4822 28.9557 -16.7808 19.5737 -16.7807 -9.74208 GPRESSAVG: 1967600 -16.1385 -45.9549 20.2362 -44.1439 28.9531 -17.881 17.0469 -16.18 -9.80457 TIMING: 1967600 CPU: 5710.54, 0.0028909/step Wall: 5710.54, 0.0028909/step, 2.4351 hours remaining, 206.707031 MB of memory in use. ENERGY: 1967600 799.9230 2157.7844 1958.0948 120.2538 -205853.1013 17525.4085 0.0000 0.0000 34084.3927 -149207.2440 297.6675 -183291.6367 -149109.0247 299.0943 -156.2191 -122.5679 556355.0669 1.0491 1.0034 PRESSURE: 1967800 60.2106 90.416 99.686 90.4165 -73.0429 -332.993 99.6874 -332.994 -108.157 GPRESSURE: 1967800 77.8831 31.752 19.754 106.476 -8.94028 -309.603 161.102 -314.891 -89.4264 PRESSAVG: 1967800 23.8664 -13.1302 12.9135 -13.1302 -93.7405 -46.7227 12.9135 -46.7227 82.615 GPRESSAVG: 1967800 22.6587 -11.1567 11.9691 -12.4008 -94.0982 -47.4825 16.0921 -45.364 84.6448 TIMING: 1967800 CPU: 5711.12, 0.00289016/step Wall: 5711.12, 0.00289016/step, 2.43432 hours remaining, 206.707031 MB of memory in use. ENERGY: 1967800 760.6886 2164.3919 1969.5648 106.4712 -206220.3635 17597.2209 0.0000 0.0000 34416.8534 -149205.1727 300.5709 -183622.0261 -149108.0859 299.2221 -40.3299 -6.8279 555630.6567 4.2470 4.4018 PRESSURE: 1968000 137.418 -31.9659 99.2102 -31.9669 44.2469 -23.8244 99.2101 -23.8245 23.7127 GPRESSURE: 1968000 144.624 -1.82463 63.5409 -87.3791 52.0404 0.357787 90.1123 -110.561 102.312 PRESSAVG: 1968000 41.5795 19.1694 43.7412 19.1694 3.71775 -20.8571 43.7413 -20.8571 10.852 GPRESSAVG: 1968000 42.1924 19.4672 41.9583 18.3493 4.89382 -22.7177 43.809 -21.5508 9.0569 TIMING: 1968000 CPU: 5711.69, 0.00288056/step Wall: 5711.69, 0.00288056/step, 2.42607 hours remaining, 206.707031 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: 1968000 724.1279 2133.6690 1970.4616 130.6959 -206463.0608 17878.7301 0.0000 0.0000 34384.2835 -149241.0927 300.2865 -183625.3762 -149135.6054 298.6568 68.4592 99.6589 555665.5700 18.7164 18.7144 PRESSURE: 1968200 170.776 -66.0945 -60.9953 -66.0945 -5.45635 100.091 -60.9945 100.091 178.349 GPRESSURE: 1968200 192.106 -102.476 -74.0846 -98.2799 58.5747 128.205 -56.6187 17.7765 197.675 PRESSAVG: 1968200 57.6019 -37.5074 21.394 -37.5073 -45.2918 36.3085 21.394 36.3085 18.9846 GPRESSAVG: 1968200 57.3081 -39.0573 23.8346 -37.4081 -46.2026 37.3843 21.6188 36.7991 19.6841 TIMING: 1968200 CPU: 5712.27, 0.00288192/step Wall: 5712.27, 0.00288192/step, 2.42706 hours remaining, 206.777344 MB of memory in use. ENERGY: 1968200 742.2092 2145.9539 1992.7302 115.9989 -206760.1173 18054.4929 0.0000 0.0000 34050.5966 -149658.1357 297.3723 -183708.7323 -149571.4078 298.3636 114.5559 149.4521 556335.2310 10.4316 10.2632 LDB: ============= START OF LOAD BALANCING ============== 5715.73 LDB: ============== END OF LOAD BALANCING =============== 5715.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5715.74 LDB: ============= START OF LOAD BALANCING ============== 5716.03 LDB: Largest compute 4820 load 0.029195 is 24.8% of average load 0.117764 LDB: Average compute 0.001712 is 1.5% of average load 0.117764 LDB: TIME 5716.03 LOAD: AVG 0.117764 MAX 0.178969 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 5716.03 LOAD: AVG 0.117764 MAX 0.178969 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: TIME 5716.03 LOAD: AVG 0.117764 MAX 0.178969 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5716.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5716.04 PRESSURE: 1968400 -272.752 -15.7643 -52.1611 -15.7629 -386.558 47.2793 -52.1614 47.2783 -199.667 GPRESSURE: 1968400 -251.744 9.94104 24.8055 -57.0529 -310.253 13.6278 -66.9032 57.2008 -183.52 PRESSAVG: 1968400 -36.9615 -13.715 -28.9674 -13.7149 -49.4806 -11.6301 -28.9674 -11.6302 56.7067 GPRESSAVG: 1968400 -37.5157 -16.0153 -29.1579 -13.1145 -48.5427 -12.2476 -28.1024 -8.65996 56.3853 TIMING: 1968400 CPU: 5712.86, 0.00296199/step Wall: 5712.86, 0.00296199/step, 2.49432 hours remaining, 205.875000 MB of memory in use. ENERGY: 1968400 732.0043 2087.7256 1982.4267 106.0113 -206062.1738 17359.9089 0.0000 0.0000 34226.6466 -149567.4504 298.9098 -183794.0971 -149477.0041 297.7998 -286.3258 -248.5056 557039.3420 -9.9118 -9.8910 PRESSURE: 1968600 332.761 96.8598 25.2242 96.8588 69.6905 19.3605 25.2246 19.3606 -142.548 GPRESSURE: 1968600 394.781 88.6832 8.75499 36.0403 70.8594 21.6781 26.4837 13.5726 -106.992 PRESSAVG: 1968600 11.9261 -11.9526 -14.2729 -11.9525 11.349 -6.53037 -14.273 -6.53031 -11.1361 GPRESSAVG: 1968600 12.1649 -10.0107 -15.0572 -9.51539 10.7069 -6.66121 -17.7802 -10.5953 -10.7913 TIMING: 1968600 CPU: 5713.44, 0.00288378/step Wall: 5713.44, 0.00288378/step, 2.4283 hours remaining, 206.078125 MB of memory in use. ENERGY: 1968600 722.0654 2144.1290 1934.6184 120.5174 -206839.3134 17961.4900 0.0000 0.0000 34541.1279 -149415.3653 301.6563 -183956.4932 -149314.6155 299.0273 86.6342 119.5493 556116.7955 4.0463 4.0268 PRESSURE: 1968800 167.16 80.7176 69.4796 80.7187 127.765 -67.5046 69.4796 -67.505 321.706 GPRESSURE: 1968800 196.722 62.6162 56.3293 150.528 230.114 -96.4156 -15.3741 -76.875 284.853 PRESSAVG: 1968800 -16.2985 15.3988 -26.679 15.3988 24.0725 9.81106 -26.679 9.81112 20.3745 GPRESSAVG: 1968800 -16.9501 18.3999 -26.8564 12.4452 24.9401 11.8881 -24.376 10.9917 19.951 TIMING: 1968800 CPU: 5714.01, 0.00286857/step Wall: 5714.01, 0.00286857/step, 2.41534 hours remaining, 206.078125 MB of memory in use. ENERGY: 1968800 722.5707 2101.2929 1944.1292 111.5121 -206264.6731 17949.2256 0.0000 0.0000 34125.5069 -149310.4356 298.0265 -183435.9426 -149215.8791 299.3942 205.5434 237.2298 556289.0883 9.3829 9.3137 PRESSURE: 1969000 -154.924 -19.274 -94.0849 -19.2745 204.118 -36.3471 -94.0847 -36.3467 26.2255 GPRESSURE: 1969000 -162.797 -68.2658 -119.42 -71.202 273.22 -87.4113 -66.6978 -34.8984 75.7346 PRESSAVG: 1969000 -35.7447 29.7802 -29.7316 29.7802 -46.806 -65.108 -29.7317 -65.108 58.2208 GPRESSAVG: 1969000 -35.2971 27.9717 -28.8922 29.9523 -47.314 -65.4547 -29.3262 -65.1414 58.1886 TIMING: 1969000 CPU: 5714.58, 0.00286244/step Wall: 5714.58, 0.00286244/step, 2.41002 hours remaining, 206.078125 MB of memory in use. ENERGY: 1969000 753.0572 2152.6504 1949.8102 101.7519 -206344.7299 17757.5646 0.0000 0.0000 34371.4889 -149258.4067 300.1748 -183629.8956 -149161.7871 298.6944 25.1399 62.0528 555952.0544 -8.1100 -8.1408 PRESSURE: 1969200 -166.034 163.268 264.029 163.267 -344.839 8.4823 264.029 8.4829 -244.18 GPRESSURE: 1969200 -129.628 104.083 321.816 140.003 -356.648 67.7932 204.655 -16.4554 -167.152 PRESSAVG: 1969200 -19.8915 46.0379 10.3021 46.0379 -6.52918 8.74085 10.3021 8.74096 47.6489 GPRESSAVG: 1969200 -19.5127 46.0127 10.0311 47.245 -6.18024 7.38121 7.49816 11.8188 47.3647 TIMING: 1969200 CPU: 5715.16, 0.00289096/step Wall: 5715.16, 0.00289096/step, 2.43387 hours remaining, 206.078125 MB of memory in use. ENERGY: 1969200 761.1494 2073.1388 1952.6924 132.6166 -205811.6859 17482.4538 0.0000 0.0000 33982.2263 -149427.4087 296.7752 -183409.6350 -149328.5699 298.9985 -251.6840 -217.8096 558178.1663 7.0760 7.2239 PRESSURE: 1969400 93.0178 -106.677 16.0544 -106.678 -41.1921 61.6227 16.0527 61.6245 39.9842 GPRESSURE: 1969400 120.326 -12.749 -14.7066 -208.203 16.5227 143.869 44.5346 -53.6152 63.78 PRESSAVG: 1969400 48.5288 26.3337 41.1905 26.3337 -80.9586 -4.12885 41.1906 -4.12897 33.662 GPRESSAVG: 1969400 48.1603 26.2545 42.5561 27.5133 -82.3869 -5.18156 41.9411 -9.34354 35.4248 TIMING: 1969400 CPU: 5715.74, 0.00289341/step Wall: 5715.74, 0.00289341/step, 2.43577 hours remaining, 206.078125 MB of memory in use. ENERGY: 1969400 734.0821 2117.4968 1960.0204 122.2118 -206490.0888 17993.6341 0.0000 0.0000 34258.2061 -149304.4375 299.1854 -183562.6437 -149205.7525 299.3254 30.6033 66.8761 558441.5146 0.4108 0.3994 PRESSURE: 1969600 -36.4101 12.1323 17.6617 12.1331 -292.74 -216.975 17.6617 -216.977 -180.502 GPRESSURE: 1969600 -35.3226 89.39 13.6107 78.2402 -221.571 -284.288 17.423 -210.383 -159.729 PRESSAVG: 1969600 31.6967 -15.1816 24.3865 -15.1816 -8.80111 1.95009 24.3866 1.95007 -47.7997 GPRESSAVG: 1969600 30.4021 -14.1382 22.1177 -17.4687 -8.03239 2.92613 24.7397 3.42544 -48.008 TIMING: 1969600 CPU: 5716.32, 0.00288829/step Wall: 5716.32, 0.00288829/step, 2.4313 hours remaining, 206.078125 MB of memory in use. ENERGY: 1969600 746.4910 2056.2686 1970.5839 103.0024 -205801.3046 17485.1634 0.0000 0.0000 34218.5575 -149221.2378 298.8392 -183439.7953 -149114.9162 299.1614 -169.8841 -138.8743 556822.7799 -8.3014 -8.5461 PRESSURE: 1969800 244.754 250.168 137.263 250.169 380.976 -38.3154 137.262 -38.3167 333.376 GPRESSURE: 1969800 300.769 242.862 78.829 234.685 347.825 -85.7879 136.333 22.9996 412.759 PRESSAVG: 1969800 18.7631 46.0283 37.9922 46.0283 4.4405 -1.27228 37.9922 -1.27216 37.1987 GPRESSAVG: 1969800 19.2244 46.4802 37.8988 45.829 4.15183 -0.320942 39.8784 -2.05507 36.2972 TIMING: 1969800 CPU: 5716.9, 0.0028875/step Wall: 5716.9, 0.0028875/step, 2.43047 hours remaining, 206.078125 MB of memory in use. ENERGY: 1969800 733.8450 2049.2451 1958.4162 105.7197 -206691.2552 18194.5687 0.0000 0.0000 34355.7279 -149293.7327 300.0371 -183649.4606 -149196.1670 299.1880 319.7018 353.7845 555213.1685 20.1341 19.8911 PRESSURE: 1970000 -139.069 35.3826 47.5156 35.382 -2.49998 133.796 47.5153 133.796 -54.7725 GPRESSURE: 1970000 -130.575 18.3664 117.953 62.4461 -14.7881 124.044 -16.2108 127.956 39.0889 PRESSAVG: 1970000 -8.33911 55.4267 52.3617 55.4268 -35.3192 41.8682 52.3617 41.8683 31.397 GPRESSAVG: 1970000 -7.46171 52.9673 52.6046 55.2365 -36.0142 42.3042 51.77 42.9332 31.3183 TIMING: 1970000 CPU: 5717.47, 0.00289211/step Wall: 5717.47, 0.00289211/step, 2.43419 hours remaining, 206.078125 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: 1970000 725.4428 2154.7477 1984.3035 108.5967 -206227.7358 17684.9643 0.0000 0.0000 34247.3339 -149322.3469 299.0905 -183569.6808 -149223.6520 298.6028 -65.4471 -35.4249 556047.8445 -4.0871 -4.0525 PRESSURE: 1970200 -64.0997 9.35466 -73.5939 9.3541 -143.951 18.1409 -73.5934 18.1417 106.864 GPRESSURE: 1970200 -18.277 45.229 -89.5422 29.9749 -90.2166 -24.1246 -21.2542 -39.0001 102.535 PRESSAVG: 1970200 -19.8149 -17.5223 -14.3207 -17.5223 -30.0546 -28.6348 -14.3206 -28.6347 68.5579 GPRESSAVG: 1970200 -22.2396 -17.6015 -12.0309 -17.9257 -29.423 -31.8828 -16.2563 -28.7043 70.4131 TIMING: 1970200 CPU: 5718.05, 0.00289187/step Wall: 5718.05, 0.00289187/step, 2.43383 hours remaining, 206.078125 MB of memory in use. ENERGY: 1970200 777.9099 2103.2366 1944.9778 118.6164 -205979.4504 17745.7268 0.0000 0.0000 34038.6442 -149250.3387 297.2679 -183288.9828 -149153.8873 298.2717 -33.7289 -1.9863 557579.6243 6.2295 6.2502 PRESSURE: 1970400 -60.4628 -181.184 -56.7652 -181.185 -44.6846 -23.0385 -56.7652 -23.0383 330.835 GPRESSURE: 1970400 -24.5651 -199.708 -152.413 -160.41 -6.24314 34.128 30.2943 -19.2995 366.109 PRESSAVG: 1970400 25.1707 -25.457 -72.6422 -25.4569 -62.8549 -21.4559 -72.6424 -21.4559 57.1787 GPRESSAVG: 1970400 26.4535 -23.1525 -73.7692 -27.1417 -62.9435 -22.0487 -70.8414 -20.414 56.0381 TIMING: 1970400 CPU: 5718.63, 0.00288483/step Wall: 5718.63, 0.00288483/step, 2.42775 hours remaining, 206.078125 MB of memory in use. ENERGY: 1970400 755.6015 2098.5730 1968.7988 124.5018 -206461.5492 17960.7966 0.0000 0.0000 34143.2143 -149410.0631 298.1812 -183553.2775 -149318.6477 298.7153 75.2291 111.7668 556942.2006 6.4981 6.5160 PRESSURE: 1970600 -38.4146 129.738 -74.4391 129.737 230.156 -90.6278 -74.4391 -90.6274 -251.28 GPRESSURE: 1970600 -40.6681 200.1 23.9868 95.8845 249.565 -128.689 -164.589 -61.2248 -174.587 PRESSAVG: 1970600 -26.2692 -61.0236 -29.5714 -61.0237 -3.27047 -31.9904 -29.5713 -31.9905 39.5801 GPRESSAVG: 1970600 -26.857 -59.5808 -28.596 -62.6913 -3.10826 -28.3477 -32.8848 -34.499 40.2068 TIMING: 1970600 CPU: 5719.21, 0.00288086/step Wall: 5719.21, 0.00288086/step, 2.42425 hours remaining, 206.078125 MB of memory in use. ENERGY: 1970600 718.8605 2049.4119 1955.7736 124.4176 -206274.3871 17795.9174 0.0000 0.0000 34086.6313 -149543.3748 297.6870 -183630.0061 -149448.1717 298.2350 -19.8462 11.4367 556855.8188 3.3468 3.4139 PRESSURE: 1970800 -22.0237 -38.4003 124.333 -38.3984 -97.7536 73.1625 124.331 73.1628 -1.38759 GPRESSURE: 1970800 81.4561 -31.6409 124.981 -138.874 -88.0715 -35.3147 53.035 47.9727 -26.0809 PRESSAVG: 1970800 25.4795 -21.8428 36.4552 -21.8429 14.9703 -47.9302 36.4552 -47.9302 -49.8188 GPRESSAVG: 1970800 26.4962 -24.6988 35.4079 -20.3995 13.8579 -52.6279 39.6485 -46.1319 -50.5227 TIMING: 1970800 CPU: 5719.79, 0.00289909/step Wall: 5719.79, 0.00289909/step, 2.43942 hours remaining, 206.078125 MB of memory in use. ENERGY: 1970800 763.7013 2164.2355 1971.9291 104.2990 -206643.2180 17904.8491 0.0000 0.0000 34154.3782 -149579.8258 298.2787 -183734.2040 -149482.4209 298.2012 -40.3883 -10.8988 557210.3413 -3.1230 -3.3895 PRESSURE: 1971000 38.5088 41.3214 -0.69687 41.321 -29.8115 -2.53527 -0.697618 -2.53574 0.455142 GPRESSURE: 1971000 107.393 11.7107 16.3582 71.7592 -51.3816 20.4586 9.39666 -55.5104 49.2263 PRESSAVG: 1971000 54.074 17.5225 16.0792 17.5225 45.3094 -5.96394 16.0792 -5.96389 -84.9343 GPRESSAVG: 1971000 53.7678 18.8384 17.1979 17.6923 46.0753 -2.01664 14.2033 -7.00015 -84.9142 TIMING: 1971000 CPU: 5720.36, 0.00288756/step Wall: 5720.36, 0.00288756/step, 2.42956 hours remaining, 206.078125 MB of memory in use. ENERGY: 1971000 754.8189 2130.7533 1950.1956 119.0880 -206575.4233 17877.2333 0.0000 0.0000 34206.1623 -149537.1718 298.7309 -183743.3341 -149454.0594 298.8006 3.0508 35.0793 556082.0866 4.8164 4.9763 PRESSURE: 1971200 -159.063 129.931 -163.937 129.93 -24.2377 -83.6016 -163.938 -83.602 54.1892 GPRESSURE: 1971200 -144.448 121.094 -124.503 117.364 -24.0432 -132.847 -163.277 -61.1878 140.597 PRESSAVG: 1971200 -18.3105 18.8275 -73.0493 18.8274 16.759 0.432659 -73.0493 0.43263 -16.196 GPRESSAVG: 1971200 -16.9961 16.7016 -71.3828 19.2377 16.494 -2.01223 -73.5689 -0.00519769 -17.0371 TIMING: 1971200 CPU: 5720.94, 0.00288719/step Wall: 5720.94, 0.00288719/step, 2.42909 hours remaining, 206.078125 MB of memory in use. ENERGY: 1971200 709.7008 2167.5792 1978.8493 102.2433 -206699.6672 17904.1542 0.0000 0.0000 34358.3006 -149478.8397 300.0596 -183837.1403 -149385.3943 298.8248 -43.0372 -9.2982 556042.3509 -5.9158 -5.8464 PRESSURE: 1971400 58.2716 72.541 148.232 72.5405 70.0813 -210.515 148.232 -210.513 -82.4392 GPRESSURE: 1971400 81.9503 7.07469 229.536 13.3409 87.8831 -200.25 101.564 -99.2701 -17.8281 PRESSAVG: 1971400 9.61681 -5.95218 -21.4293 -5.95211 -22.3026 7.46849 -21.4292 7.46865 25.0511 GPRESSAVG: 1971400 8.05161 -5.82708 -22.9576 -5.36612 -21.8465 9.2571 -18.7671 8.18431 25.7412 TIMING: 1971400 CPU: 5721.52, 0.00288668/step Wall: 5721.52, 0.00288668/step, 2.4285 hours remaining, 206.078125 MB of memory in use. ENERGY: 1971400 745.9227 2089.0225 1950.3134 116.4476 -206408.5406 17799.7174 0.0000 0.0000 34240.9532 -149466.1638 299.0348 -183707.1169 -149367.0573 299.1719 15.3046 50.6684 554657.5016 4.1218 3.9821 PRESSURE: 1971600 -51.8984 -32.5295 -45.4778 -32.5293 171.694 -122.829 -45.4769 -122.828 -10.0464 GPRESSURE: 1971600 -20.7258 55.6018 13.3284 -83.096 236.378 -66.1752 -64.9311 -149.587 -13.004 PRESSAVG: 1971600 -4.53003 9.69181 22.5258 9.69174 -40.3636 25.3751 22.5258 25.375 18.1025 GPRESSAVG: 1971600 -3.41464 10.6098 20.7218 11.4747 -40.7157 25.3501 22.8413 24.9281 17.0089 TIMING: 1971600 CPU: 5722.09, 0.00287168/step Wall: 5722.09, 0.00287168/step, 2.41572 hours remaining, 206.078125 MB of memory in use. ENERGY: 1971600 741.8294 2142.6639 1936.3251 114.0967 -206651.4330 17932.6993 0.0000 0.0000 34166.5230 -149617.2955 298.3847 -183783.8185 -149518.9206 298.6180 36.5830 67.5493 554992.4141 -8.9304 -9.0405 PRESSURE: 1971800 -280.314 213.214 75.0524 213.215 46.7293 -68.1567 75.0512 -68.1558 -119.157 GPRESSURE: 1971800 -199.051 216.143 -1.35844 132.901 27.7573 -96.3755 121.312 -98.6831 -96.6368 PRESSAVG: 1971800 88.4079 -41.1236 24.8944 -41.1236 -8.36915 30.7135 24.8944 30.7135 -86.4593 GPRESSAVG: 1971800 88.2183 -41.9774 22.765 -42.7358 -7.95306 29.2478 26.5564 32.1294 -87.1726 TIMING: 1971800 CPU: 5722.67, 0.00289336/step Wall: 5722.67, 0.00289336/step, 2.43379 hours remaining, 206.078125 MB of memory in use. ENERGY: 1971800 750.2853 2146.1833 1953.1511 105.1484 -206183.2279 17628.3539 0.0000 0.0000 34071.4678 -149528.6381 297.5546 -183600.1059 -149431.1699 297.8049 -117.5807 -89.3101 556225.4549 -2.1402 -2.3025 PRESSURE: 1972000 -149.879 -7.22723 151.047 -7.22713 48.1548 96.7493 151.046 96.7497 -169.792 GPRESSURE: 1972000 -140.528 48.0275 140.132 22.233 98.4172 5.41146 74.4793 42.0427 -125.257 PRESSAVG: 1972000 24.4773 -5.83905 11.2635 -5.83907 -11.1162 41.5123 11.2635 41.5123 -12.1412 GPRESSAVG: 1972000 24.8632 -5.72556 13.8906 -5.40726 -12.04 40.7092 7.38279 41.601 -11.9426 TIMING: 1972000 CPU: 5723.25, 0.0028886/step Wall: 5723.25, 0.0028886/step, 2.42963 hours remaining, 206.078125 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: 1972000 745.5152 2109.9956 1954.9306 107.0341 -206367.7013 17828.8345 0.0000 0.0000 34120.9826 -149500.4086 297.9870 -183621.3912 -149402.8791 298.5433 -90.5052 -55.7893 557909.7577 0.4066 0.2935 PRESSURE: 1972200 -141.048 77.0071 -237.678 77.006 -225.78 187.17 -237.678 187.169 -107.354 GPRESSURE: 1972200 -72.1726 154.872 -255.167 -6.43072 -238.883 182.147 -198.101 145.837 -56.8787 PRESSAVG: 1972200 17.0275 -28.9022 -48.0296 -28.9022 -31.2701 42.7616 -48.0297 42.7617 48.3345 GPRESSAVG: 1972200 15.7419 -26.7428 -49.3084 -31.139 -30.9752 44.2304 -47.4845 42.8433 49.2651 TIMING: 1972200 CPU: 5723.82, 0.00287835/step Wall: 5723.82, 0.00287835/step, 2.42085 hours remaining, 206.078125 MB of memory in use. ENERGY: 1972200 764.2197 2061.6896 1962.4374 107.6162 -206481.1620 17667.4916 0.0000 0.0000 34409.8317 -149507.8758 300.5096 -183917.7076 -149411.1627 298.8101 -158.0606 -122.6447 557712.2253 11.3640 11.3440 LDB: ============= START OF LOAD BALANCING ============== 5727.29 LDB: ============== END OF LOAD BALANCING =============== 5727.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5727.29 LDB: ============= START OF LOAD BALANCING ============== 5727.58 LDB: Largest compute 4820 load 0.029310 is 24.9% of average load 0.117787 LDB: Average compute 0.001720 is 1.5% of average load 0.117787 LDB: TIME 5727.58 LOAD: AVG 0.117787 MAX 0.177404 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 5727.58 LOAD: AVG 0.117787 MAX 0.177404 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: TIME 5727.58 LOAD: AVG 0.117787 MAX 0.177404 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: ============== END OF LOAD BALANCING =============== 5727.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5727.59 PRESSURE: 1972400 226.95 -187.644 -189.842 -187.643 -96.4763 -71.4048 -189.842 -71.4024 206.037 GPRESSURE: 1972400 206.54 -141.3 -210.555 -201.952 -9.47196 -21.1652 -169.554 -41.9712 233.064 PRESSAVG: 1972400 6.43334 -23.0583 24.4951 -23.0583 14.2463 8.09564 24.4951 8.09569 -13.7884 GPRESSAVG: 1972400 6.8437 -24.3166 25.9082 -22.7816 12.6928 6.40287 25.5285 9.26438 -13.193 TIMING: 1972400 CPU: 5724.41, 0.00293037/step Wall: 5724.41, 0.00293037/step, 2.46444 hours remaining, 207.156250 MB of memory in use. ENERGY: 1972400 695.4094 2098.5222 1955.0483 111.7120 -206300.1135 17834.2917 0.0000 0.0000 34003.5673 -149601.5627 296.9616 -183605.1300 -149503.6626 297.9988 112.1704 143.3774 556541.0563 2.2971 2.1145 PRESSURE: 1972600 279.738 5.28258 -81.1327 5.28269 73.7736 66.4313 -81.131 66.4321 325.713 GPRESSURE: 1972600 315.683 13.5244 -76.9089 -1.2283 141.177 119.125 5.31841 16.1884 305.239 PRESSAVG: 1972600 -18.155 -69.4468 -9.83159 -69.4469 -4.53149 71.3304 -9.83147 71.3304 20.2246 GPRESSAVG: 1972600 -16.7628 -69.0464 -10.9856 -68.2817 -4.69346 72.9661 -9.8881 68.7214 19.1648 TIMING: 1972600 CPU: 5724.99, 0.00288528/step Wall: 5724.99, 0.00288528/step, 2.42636 hours remaining, 207.414062 MB of memory in use. ENERGY: 1972600 769.9768 2091.2499 1945.0849 114.8026 -206755.7292 18112.1987 0.0000 0.0000 34237.8355 -149484.5808 299.0075 -183722.4163 -149394.7000 297.8950 226.4082 254.0330 555312.1041 -0.8206 -0.7638 PRESSURE: 1972800 -132.515 95.6972 72.9986 95.6966 114.766 12.1581 72.9992 12.1586 -129.367 GPRESSURE: 1972800 -78.9702 147.252 -29.4074 56.6166 112.745 -27.022 97.5519 -5.43735 -91.7964 PRESSAVG: 1972800 -3.39401 64.6041 -27.6025 64.6041 -49.5818 -76.5759 -27.6024 -76.5759 104.927 GPRESSAVG: 1972800 -4.29536 66.0209 -25.4503 64.1728 -48.2831 -75.9209 -28.7121 -74.7929 103.86 TIMING: 1972800 CPU: 5725.56, 0.00287185/step Wall: 5725.56, 0.00287185/step, 2.41491 hours remaining, 207.484375 MB of memory in use. ENERGY: 1972800 744.5915 2091.3313 1953.8802 115.0186 -206366.8009 17885.3931 0.0000 0.0000 34219.6285 -149356.9578 298.8485 -183576.5863 -149250.2799 298.7128 -49.0387 -19.3404 557942.0160 17.3171 17.0939 PRESSURE: 1973000 -300.586 45.5137 -25.3082 45.5136 -279.558 20.9984 -25.3079 20.999 233.861 GPRESSURE: 1973000 -294.635 112.098 -100.803 67.4352 -221.25 -24.0846 -14.9436 -4.18454 280.591 PRESSAVG: 1973000 2.50832 34.012 -27.8753 34.0119 -19.8651 -43.3312 -27.8753 -43.3311 23.9114 GPRESSAVG: 1973000 2.83923 31.8846 -26.8136 35.3334 -21.1557 -45.2028 -29.4063 -44.7462 24.4382 TIMING: 1973000 CPU: 5726.14, 0.00287546/step Wall: 5726.14, 0.00287546/step, 2.41778 hours remaining, 207.484375 MB of memory in use. ENERGY: 1973000 757.1023 2123.9332 1942.0871 110.3432 -206262.6275 17776.8057 0.0000 0.0000 34337.7030 -149214.6530 299.8797 -183552.3560 -149128.6938 298.6647 -115.4278 -78.4313 556921.1110 2.1849 2.0406 PRESSURE: 1973200 -212.011 183.452 -124.979 183.451 -165.239 56.2262 -124.979 56.2274 -8.47024 GPRESSURE: 1973200 -132.631 179.451 -196.125 97.8132 -134.685 -6.89966 -114.719 7.24975 -26.5988 PRESSAVG: 1973200 39.8347 28.7398 0.253664 28.7399 -34.2093 14.1014 0.253687 14.1014 -38.5197 GPRESSAVG: 1973200 39.7774 30.5259 -2.01563 29.3401 -34.3688 13.8061 1.16565 13.8608 -38.6241 TIMING: 1973200 CPU: 5726.71, 0.00287112/step Wall: 5726.71, 0.00287112/step, 2.41397 hours remaining, 207.484375 MB of memory in use. ENERGY: 1973200 731.8303 2087.4864 1928.7305 122.1541 -206123.6713 17675.0554 0.0000 0.0000 34309.9275 -149268.4871 299.6371 -183578.4146 -149166.2289 299.2480 -128.5736 -97.9715 558348.9500 -10.9648 -11.0719 PRESSURE: 1973400 -135.022 -70.3931 -38.0238 -70.394 -126.578 20.5368 -38.0232 20.5371 35.4727 GPRESSURE: 1973400 -63.6991 -27.3337 15.0794 -161.547 -122.72 17.0972 -152.176 84.5397 60.0906 PRESSAVG: 1973400 54.7638 17.221 -13.4167 17.2211 16.739 -19.3978 -13.4167 -19.3977 -52.2089 GPRESSAVG: 1973400 55.7303 17.2596 -11.1724 17.4032 16.3864 -16.8827 -15.3545 -19.0396 -52.4441 TIMING: 1973400 CPU: 5727.29, 0.00286886/step Wall: 5727.29, 0.00286886/step, 2.41192 hours remaining, 207.484375 MB of memory in use. ENERGY: 1973400 680.3275 2047.6273 1951.9934 111.9697 -206022.9848 17544.3420 0.0000 0.0000 34187.9182 -149498.8066 298.5716 -183686.7248 -149402.9467 298.8346 -75.3760 -42.1094 557096.0076 6.4313 6.5575 PRESSURE: 1973600 10.71 28.5509 -64.0143 28.5513 -57.7166 7.99758 -64.0136 7.99889 -16.4824 GPRESSURE: 1973600 -15.6391 -7.39711 -115.604 31.9985 -64.1795 -29.0635 -26.5626 35.1341 118.621 PRESSAVG: 1973600 4.88213 1.83103 -8.2159 1.83096 -11.16 -8.06014 -8.21589 -8.06026 -34.0552 GPRESSAVG: 1973600 3.88149 1.90145 -10.2728 0.23692 -10.6446 -6.92231 -6.6075 -7.95367 -33.2418 TIMING: 1973600 CPU: 5727.86, 0.00286421/step Wall: 5727.86, 0.00286421/step, 2.40785 hours remaining, 207.484375 MB of memory in use. ENERGY: 1973600 748.1826 2072.3385 1956.1537 115.7390 -206233.0805 17916.6197 0.0000 0.0000 34055.9841 -149368.0628 297.4194 -183424.0469 -149272.6497 299.4791 -21.1630 12.9341 559002.1299 -13.4444 -13.3350 PRESSURE: 1973800 -75.2441 42.0796 16.8549 42.0781 30.8117 99.7856 16.8555 99.7848 -146.097 GPRESSURE: 1973800 -31.8341 58.1767 82.6676 -13.748 86.5806 58.3077 16.4227 109.208 -150.428 PRESSAVG: 1973800 22.3292 45.3846 34.5845 45.3846 27.3346 26.865 34.5846 26.865 -25.3793 GPRESSAVG: 1973800 22.7091 44.1998 36.5604 45.6752 27.5349 24.0074 33.7529 27.8909 -25.7888 TIMING: 1973800 CPU: 5728.43, 0.00288142/step Wall: 5728.43, 0.00288142/step, 2.42216 hours remaining, 207.484375 MB of memory in use. ENERGY: 1973800 742.7312 2088.1236 1938.4011 119.6491 -206125.4058 17827.5642 0.0000 0.0000 34093.7503 -149315.1865 297.7492 -183408.9367 -149219.9550 299.0457 -63.5099 -31.8938 557358.9345 8.0948 8.1518 PRESSURE: 1974000 205.376 -86.8432 -110.59 -86.844 187.528 -176.767 -110.589 -176.766 182.476 GPRESSURE: 1974000 219.663 -63.6682 -133.323 -64.5306 273.683 -200.314 -46.6499 -132.932 188.763 PRESSAVG: 1974000 38.7467 38.1812 31.3848 38.1812 -39.8183 27.1534 31.3847 27.1534 -39.9258 GPRESSAVG: 1974000 38.0735 37.2118 30.0871 38.8242 -39.8388 29.3038 31.3861 25.4752 -38.9854 TIMING: 1974000 CPU: 5729.01, 0.00286461/step Wall: 5729.01, 0.00286461/step, 2.40786 hours remaining, 207.484375 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: 1974000 693.8764 2151.5733 1924.6477 107.1207 -206634.3568 18149.7582 0.0000 0.0000 34420.4465 -149186.9340 300.6023 -183607.3805 -149098.9535 298.7396 191.7935 227.3698 558459.9303 -13.6658 -13.5835 PRESSURE: 1974200 68.4685 165.382 -61.2585 165.383 213.76 45.0486 -61.2594 45.0493 77.3995 GPRESSURE: 1974200 53.3634 225.59 -92.5999 82.7466 247.271 23.8104 -50.1158 64.5655 157.165 PRESSAVG: 1974200 -25.7844 33.5587 53.925 33.5586 -21.5948 -1.39754 53.9251 -1.3975 25.4927 GPRESSAVG: 1974200 -25.1956 35.7736 52.9524 30.8216 -21.113 -1.5812 54.259 -0.341901 24.7727 TIMING: 1974200 CPU: 5729.58, 0.00287966/step Wall: 5729.58, 0.00287966/step, 2.42036 hours remaining, 207.484375 MB of memory in use. ENERGY: 1974200 714.5831 2110.5382 1929.7631 109.6390 -206201.7071 17908.1711 0.0000 0.0000 34220.3403 -149208.6723 298.8547 -183429.0126 -149116.8978 298.8905 119.8761 152.6001 556607.3317 -7.2955 -7.1787 PRESSURE: 1974400 -79.4201 -5.09588 106.557 -5.09555 -195.621 -65.0811 106.556 -65.0816 -281.616 GPRESSURE: 1974400 -44.9979 -1.3998 89.3389 11.7197 -225.246 -150.833 2.19611 -23.4045 -184.786 PRESSAVG: 1974400 -24.2079 53.6732 -29.3152 53.6731 -8.64628 7.96668 -29.3152 7.9667 27.4335 GPRESSAVG: 1974400 -24.8289 51.31 -30.7416 56.8449 -8.65082 5.85455 -27.6512 10.4889 28.0776 TIMING: 1974400 CPU: 5730.16, 0.00289874/step Wall: 5730.16, 0.00289874/step, 2.43623 hours remaining, 207.484375 MB of memory in use. ENERGY: 1974400 704.9232 2114.8168 1927.3681 116.9258 -205849.2488 17544.6942 0.0000 0.0000 34220.4337 -149220.0870 298.8556 -183440.5206 -149129.6539 298.7902 -185.5523 -151.6767 558604.3163 -1.8069 -1.8007 PRESSURE: 1974600 -287.466 -22.0866 -77.2462 -22.0864 -76.426 187.237 -77.247 187.236 90.5784 GPRESSURE: 1974600 -267.715 63.9806 -19.2209 -54.8758 -4.30416 238.417 -134.621 119.892 96.7061 PRESSAVG: 1974600 63.7684 70.3823 -15.8187 70.3824 -62.1072 11.3527 -15.8186 11.3528 61.8527 GPRESSAVG: 1974600 64.568 70.8556 -13.8463 70.6295 -62.633 10.8638 -15.9597 9.68696 61.8504 TIMING: 1974600 CPU: 5730.74, 0.00286888/step Wall: 5730.74, 0.00286888/step, 2.41097 hours remaining, 207.484375 MB of memory in use. ENERGY: 1974600 749.7161 2046.9725 1969.4281 104.0632 -205933.8890 17547.1696 0.0000 0.0000 34292.9727 -149223.5668 299.4891 -183516.5395 -149119.1718 299.2149 -91.1044 -58.4378 557299.4360 21.1713 21.2618 PRESSURE: 1974800 -3.52548 -121.497 64.9516 -121.497 -325.423 -36.9222 64.9524 -36.9209 -45.5959 GPRESSURE: 1974800 -31.0958 -150.863 63.6186 -115.139 -257.701 -38.0084 94.7186 -1.56391 22.4082 PRESSAVG: 1974800 -10.3688 21.2798 -15.6137 21.2799 -25.2749 26.5112 -15.6137 26.5112 34.0179 GPRESSAVG: 1974800 -10.3715 23.06 -13.4874 19.7966 -24.1481 26.0451 -18.2124 27.4541 32.7113 TIMING: 1974800 CPU: 5731.31, 0.00287592/step Wall: 5731.31, 0.00287592/step, 2.41673 hours remaining, 207.484375 MB of memory in use. ENERGY: 1974800 757.7014 2135.1127 1950.1034 101.7492 -206105.5020 17657.1259 0.0000 0.0000 34270.0876 -149233.6216 299.2892 -183503.7092 -149140.3218 298.6728 -124.8481 -88.7961 558418.0558 -0.5419 -0.6028 PRESSURE: 1975000 166.292 21.6847 -111.866 21.6838 5.06135 100.56 -111.867 100.559 190.125 GPRESSURE: 1975000 218.242 -36.0295 -93.4947 39.593 35.0137 101.601 -166.738 161.158 208.694 PRESSAVG: 1975000 28.4528 14.1095 -38.7578 14.1096 -14.9441 30.8661 -38.7578 30.8661 -36.372 GPRESSAVG: 1975000 28.4751 11.9211 -40.2867 15.1045 -15.4379 31.9272 -36.2006 31.2334 -35.3736 TIMING: 1975000 CPU: 5731.89, 0.00290265/step Wall: 5731.89, 0.00290265/step, 2.43903 hours remaining, 207.484375 MB of memory in use. ENERGY: 1975000 759.8885 2113.7930 1947.4862 114.0108 -206496.7903 17973.2101 0.0000 0.0000 34209.4767 -149378.9250 298.7599 -183588.4017 -149282.9294 298.5347 120.4927 153.9830 555882.2153 -7.6211 -7.4455 PRESSURE: 1975200 -103.879 -106.478 38.8267 -106.478 -165.055 -30.0893 38.8253 -30.09 -100.347 GPRESSURE: 1975200 -111.77 -58.6135 24.5374 -151.156 -145.977 6.93889 15.9078 0.709847 -11.6407 PRESSAVG: 1975200 -63.4474 10.1422 -18.4623 10.1422 38.1181 -24.0805 -18.4623 -24.0805 12.9733 GPRESSAVG: 1975200 -63.7202 12.1069 -18.5132 11.4161 38.73 -21.8119 -20.3683 -24.9537 12.1637 TIMING: 1975200 CPU: 5732.47, 0.00289367/step Wall: 5732.47, 0.00289367/step, 2.43133 hours remaining, 207.484375 MB of memory in use. ENERGY: 1975200 776.6715 2106.6267 1948.1741 118.2362 -206299.8421 17680.3794 0.0000 0.0000 34308.0886 -149361.6656 299.6211 -183669.7542 -149260.8561 298.5564 -123.0939 -89.7961 557495.8369 -4.1187 -4.2755 PRESSURE: 1975400 -119.33 41.5058 -60.0767 41.5053 -265.174 -49.6543 -60.0752 -49.6542 -600.532 GPRESSURE: 1975400 -106.449 59.3122 7.84051 -12.4739 -209.641 -41.3366 -113.661 15.9531 -564.03 PRESSAVG: 1975400 11.9369 -4.34207 -40.0941 -4.34205 8.18309 -28.9293 -40.0941 -28.9293 -38.7823 GPRESSAVG: 1975400 11.2658 -3.01972 -41.3956 -6.60342 8.30142 -29.9407 -37.2189 -29.8168 -37.9562 TIMING: 1975400 CPU: 5733.05, 0.00289859/step Wall: 5733.05, 0.00289859/step, 2.4353 hours remaining, 207.484375 MB of memory in use. ENERGY: 1975400 701.6891 2067.6148 1950.2352 121.8657 -205870.6628 17421.7453 0.0000 0.0000 34080.7185 -149526.7941 297.6354 -183607.5127 -149420.6516 298.2989 -328.3452 -293.3732 558691.2079 -6.2208 -6.1297 PRESSURE: 1975600 166.182 -30.3657 2.85284 -30.3679 -109.774 -81.8412 2.85272 -81.8412 166.656 GPRESSURE: 1975600 206.912 -74.747 20.5416 5.66603 -119.346 -36.8966 -27.9408 -43.2642 238.612 PRESSAVG: 1975600 41.7463 -21.7915 -17.9786 -21.7915 14.6373 10.1426 -17.9786 10.1426 8.79949 GPRESSAVG: 1975600 41.5316 -23.8991 -16.598 -21.7402 14.8125 10.2665 -19.4591 10.8 8.38166 TIMING: 1975600 CPU: 5733.63, 0.00289189/step Wall: 5733.63, 0.00289189/step, 2.42951 hours remaining, 207.484375 MB of memory in use. ENERGY: 1975600 751.1172 2073.3939 1975.6732 115.7404 -206740.9200 18160.3795 0.0000 0.0000 34264.1565 -149400.4594 299.2374 -183664.6159 -149300.9949 297.8103 74.3547 108.7261 557779.2711 21.7277 21.5753 PRESSURE: 1975800 -108.857 38.7431 -44.6919 38.7428 -143.473 -9.90756 -44.6923 -9.90763 84.5336 GPRESSURE: 1975800 -59.317 58.0712 11.7968 54.1469 -159.392 -45.4518 -129.44 -30.9766 148.592 PRESSAVG: 1975800 20.9821 -29.2769 -6.97187 -29.2768 -49.1325 -5.83199 -6.97192 -5.8319 67.7405 GPRESSAVG: 1975800 20.6538 -27.865 -7.3452 -27.5553 -49.9694 -6.00192 -8.41686 -6.57044 68.2847 TIMING: 1975800 CPU: 5734.2, 0.00286069/step Wall: 5734.2, 0.00286069/step, 2.40314 hours remaining, 207.484375 MB of memory in use. ENERGY: 1975800 754.5274 2090.8783 1948.0989 111.8132 -206287.0008 17840.4062 0.0000 0.0000 34155.3937 -149385.8831 298.2875 -183541.2768 -149287.6021 298.4055 -55.9320 -23.3722 557945.4491 13.1967 12.9897 PRESSURE: 1976000 346.707 -69.485 -67.2682 -69.4847 317.951 115.506 -67.2685 115.505 261.108 GPRESSURE: 1976000 404.637 -105.594 -116.754 -107.953 372.405 128.249 -16.2422 48.8903 253.156 PRESSAVG: 1976000 14.5933 -78.8111 19.3427 -78.8112 -23.5907 -0.647022 19.3428 -0.64707 -29.9833 GPRESSAVG: 1976000 14.4809 -81.2094 19.6435 -78.748 -23.5121 -0.926509 20.1649 -0.694471 -29.2932 TIMING: 1976000 CPU: 5734.77, 0.00286176/step Wall: 5734.77, 0.00286176/step, 2.40388 hours remaining, 207.484375 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: 1976000 761.7231 2087.3459 1946.0143 121.4808 -206657.2158 18382.9041 0.0000 0.0000 34058.1037 -149299.6438 297.4379 -183357.7475 -149198.9180 298.1341 308.5890 343.3996 556851.6719 -12.9935 -12.7748 PRESSURE: 1976200 -123.915 1.83058 -52.9358 1.83045 124.16 74.3662 -52.9353 74.3668 -186.073 GPRESSURE: 1976200 -85.6349 -15.3554 -83.9871 0.140098 125.333 2.86525 -2.50101 165.867 -124.757 PRESSAVG: 1976200 -54.1462 -26.7261 -38.0238 -26.726 70.4588 8.50916 -38.0239 8.50916 41.7341 GPRESSAVG: 1976200 -52.9412 -24.485 -39.1479 -28.2438 69.9695 8.08867 -36.1293 8.54674 41.1165 TIMING: 1976200 CPU: 5735.35, 0.00288192/step Wall: 5735.35, 0.00288192/step, 2.42066 hours remaining, 207.484375 MB of memory in use. ENERGY: 1976200 694.6432 2137.4727 1961.4257 125.2141 -205852.2807 17666.9303 0.0000 0.0000 33989.7268 -149276.8678 296.8407 -183266.5946 -149180.2558 298.7926 -61.9424 -28.3529 559327.5342 19.3489 19.3816 LDB: ============= START OF LOAD BALANCING ============== 5738.81 LDB: ============== END OF LOAD BALANCING =============== 5738.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5738.82 LDB: ============= START OF LOAD BALANCING ============== 5739.1 LDB: Largest compute 4820 load 0.028280 is 24.0% of average load 0.117786 LDB: Average compute 0.001708 is 1.4% of average load 0.117786 LDB: TIME 5739.11 LOAD: AVG 0.117786 MAX 0.177925 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.188 MB LDB: TIME 5739.11 LOAD: AVG 0.117786 MAX 0.177925 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 5739.11 LOAD: AVG 0.117786 MAX 0.177925 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5739.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5739.11 PRESSURE: 1976400 -72.1613 -103.004 14.6267 -103.003 -92.7575 86.6965 14.6271 86.6966 -121.101 GPRESSURE: 1976400 -77.713 -96.4387 86.0749 -116.94 -32.5197 96.0071 -1.06463 80.561 -75.8398 PRESSAVG: 1976400 -3.49074 50.2909 -23.6509 50.2909 32.0297 -2.5528 -23.6509 -2.55284 -74.7615 GPRESSAVG: 1976400 -4.15324 48.7999 -21.312 50.6012 31.8035 -0.944018 -25.1353 -3.02817 -74.2837 TIMING: 1976400 CPU: 5735.94, 0.00294479/step Wall: 5735.94, 0.00294479/step, 2.47329 hours remaining, 207.476562 MB of memory in use. ENERGY: 1976400 700.7899 2173.2262 1947.0808 117.8466 -206086.7932 17645.9122 0.0000 0.0000 34136.6226 -149365.3150 298.1236 -183501.9376 -149269.6796 298.7865 -95.3400 -62.0242 557389.5336 -15.4075 -15.5445 PRESSURE: 1976600 -36.846 49.9787 -224.191 49.9784 -149.258 -108.245 -224.191 -108.245 -226.99 GPRESSURE: 1976600 -80.1401 128.01 -89.0612 72.8335 -78.4327 -181.911 -280.386 -28.444 -152.712 PRESSAVG: 1976600 48.2005 30.7991 2.21606 30.799 6.53765 9.6264 2.21618 9.6263 -4.44546 GPRESSAVG: 1976600 47.1194 31.8345 1.72426 32.8454 8.03379 7.9744 3.02931 9.64115 -4.8942 TIMING: 1976600 CPU: 5736.52, 0.00289284/step Wall: 5736.52, 0.00289284/step, 2.42951 hours remaining, 207.476562 MB of memory in use. ENERGY: 1976600 776.2980 2123.4195 1961.4667 100.1015 -206121.4264 17707.0643 0.0000 0.0000 34078.4790 -149374.5974 297.6158 -183453.0764 -149278.4413 299.0003 -137.6980 -103.7615 555938.7409 16.7642 16.7530 PRESSURE: 1976800 -76.5996 134.509 131.724 134.509 -132.933 195.17 131.724 195.17 -148.026 GPRESSURE: 1976800 -68.8055 128.656 230.043 183.516 -97.2321 150.44 96.8342 227.867 -93.1051 PRESSAVG: 1976800 2.48048 -17.3976 48.454 -17.3976 27.1369 -33.0764 48.454 -33.0764 -40.0061 GPRESSAVG: 1976800 3.89767 -18.91 49.1198 -18.8631 25.9503 -32.9731 47.3761 -31.9948 -40.4462 TIMING: 1976800 CPU: 5737.1, 0.00289074/step Wall: 5737.1, 0.00289074/step, 2.42758 hours remaining, 207.476562 MB of memory in use. ENERGY: 1976800 767.8801 2064.6445 1975.0515 117.3048 -206105.4129 17652.0881 0.0000 0.0000 34236.6387 -149291.8052 298.9971 -183528.4439 -149194.8718 298.5173 -119.1864 -86.3809 556895.3721 -3.4629 -3.5328 PRESSURE: 1977000 56.2378 -96.2143 -83.2277 -96.2128 -102.63 196.888 -83.227 196.887 69.6263 GPRESSURE: 1977000 47.9227 -67.9041 -43.1767 -65.3748 -33.0115 146.407 -206.352 130.09 105.552 PRESSAVG: 1977000 -16.6393 34.9185 5.57028 34.9184 41.711 21.3572 5.57031 21.3572 -38.0595 GPRESSAVG: 1977000 -17.8348 36.661 5.98824 35.0938 42.3197 19.9256 5.95555 20.1064 -37.4765 TIMING: 1977000 CPU: 5737.67, 0.00288391/step Wall: 5737.67, 0.00288391/step, 2.42169 hours remaining, 207.476562 MB of memory in use. ENERGY: 1977000 736.6307 2013.6700 1981.4733 117.9980 -206041.7043 17734.3531 0.0000 0.0000 34149.6061 -149307.9732 298.2370 -183457.5793 -149212.0180 298.8762 7.7446 40.1544 556825.3203 -4.3293 -4.3305 PRESSURE: 1977200 -10.9162 53.5348 -162.943 53.5348 -140.468 -55.7601 -162.943 -55.7582 -87.9889 GPRESSURE: 1977200 35.5543 47.2287 -84.639 103.948 -58.6073 -49.322 -134.747 -78.745 -116.15 PRESSAVG: 1977200 35.7579 11.8996 -49.1764 11.8996 20.6843 23.8555 -49.1763 23.8554 -27.7703 GPRESSAVG: 1977200 36.4402 9.89181 -53.0201 12.819 21.0939 24.0804 -47.4066 25.4042 -28.3386 TIMING: 1977200 CPU: 5738.25, 0.00286717/step Wall: 5738.25, 0.00286717/step, 2.40747 hours remaining, 207.476562 MB of memory in use. ENERGY: 1977200 714.1252 2030.7461 1949.0445 114.9176 -206076.2568 17698.2099 0.0000 0.0000 34311.7802 -149257.4335 299.6533 -183569.2136 -149158.6893 298.7330 -79.7909 -46.4010 558039.1459 9.5573 9.7318 PRESSURE: 1977400 -22.0694 255.005 -34.8069 255.005 -273.182 24.5866 -34.8066 24.5867 -77.4111 GPRESSURE: 1977400 -8.9894 294.965 -50.6081 223.084 -255.557 78.5948 -67.1071 -27.6986 -11.976 PRESSAVG: 1977400 11.8088 65.205 -10.2505 65.205 -13.3135 -48.9868 -10.2505 -48.9868 -9.82289 GPRESSAVG: 1977400 12.3275 65.7667 -6.91811 65.0111 -13.4415 -48.544 -12.9586 -48.7887 -10.1014 TIMING: 1977400 CPU: 5738.82, 0.00288878/step Wall: 5738.82, 0.00288878/step, 2.42545 hours remaining, 207.476562 MB of memory in use. ENERGY: 1977400 733.6017 2095.9944 1939.5292 109.4630 -205780.9143 17607.0098 0.0000 0.0000 34030.0184 -149265.2979 297.1926 -183295.3163 -149161.7633 298.9345 -124.2209 -92.1740 557170.9645 -3.7759 -3.7385 PRESSURE: 1977600 -87.532 -28.4345 -85.1513 -28.4355 11.8377 20.2868 -85.1514 20.2879 48.7568 GPRESSURE: 1977600 -34.3928 -125.469 -65.0448 -25.7003 46.3769 17.8903 -149.784 -45.8117 76.7413 PRESSAVG: 1977600 35.5297 4.7878 -48.1603 4.78782 -17.7021 41.5539 -48.1603 41.5539 -0.13356 GPRESSAVG: 1977600 36.6269 5.85267 -47.8283 3.26749 -20.2539 42.5486 -47.1008 40.2339 1.1133 TIMING: 1977600 CPU: 5739.4, 0.0028862/step Wall: 5739.4, 0.0028862/step, 2.42312 hours remaining, 207.476562 MB of memory in use. ENERGY: 1977600 688.2655 2086.6082 1945.5042 97.4299 -206210.8184 17749.2530 0.0000 0.0000 34289.4197 -149354.3379 299.4580 -183643.7576 -149259.8851 298.6563 -8.9792 29.5752 555449.0712 5.8980 5.8288 PRESSURE: 1977800 -36.0647 -140.376 92.7478 -140.376 140.108 41.835 92.7487 41.835 -108.755 GPRESSURE: 1977800 -4.40904 -52.9577 93.2742 -241.984 158.332 82.3346 60.4142 -39.4573 -45.4842 PRESSAVG: 1977800 38.2311 -54.0929 -28.8319 -54.0929 -1.3813 42.3898 -28.8319 42.3899 -23.0856 GPRESSAVG: 1977800 36.7594 -53.7718 -29.3573 -52.6075 -0.176584 43.6358 -31.9217 41.1408 -22.5465 TIMING: 1977800 CPU: 5739.98, 0.00287248/step Wall: 5739.98, 0.00287248/step, 2.41145 hours remaining, 207.476562 MB of memory in use. ENERGY: 1977800 685.4358 2119.5788 1962.0313 104.7573 -206404.4978 17802.0648 0.0000 0.0000 34416.5284 -149314.1014 300.5681 -183730.6298 -149215.6217 298.5035 -1.5705 36.1463 557302.3740 4.5881 4.6788 PRESSURE: 1978000 -39.1193 64.9655 22.5422 64.9662 -94.3354 16.4831 22.5422 16.484 -250.445 GPRESSURE: 1978000 -6.90832 86.4821 63.5909 -9.19034 -28.4405 -52.4693 8.16142 89.8893 -246.493 PRESSAVG: 1978000 -37.2353 28.8847 -41.3049 28.8846 -18.7457 6.33538 -41.3048 6.33538 19.3263 GPRESSAVG: 1978000 -36.3059 29.4567 -42.9944 28.2134 -19.4106 3.55345 -37.3432 10.8845 18.8534 TIMING: 1978000 CPU: 5740.55, 0.00287345/step Wall: 5740.55, 0.00287345/step, 2.4121 hours remaining, 207.476562 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: 1978000 739.7239 2092.5617 1979.4700 122.6554 -205846.6139 17379.7108 0.0000 0.0000 34197.1233 -149335.3688 298.6520 -183532.4921 -149240.6405 299.7175 -127.9666 -93.9472 556295.2232 -12.2182 -12.2877 PRESSURE: 1978200 9.388 108.969 -4.90079 108.97 -21.8133 -21.9271 -4.90133 -21.9269 -5.67329 GPRESSURE: 1978200 84.7193 85.9642 -32.3199 186.531 30.9361 24.9128 29.0153 -76.9734 -18.2315 PRESSAVG: 1978200 32.3049 13.6622 12.1054 13.6622 -23.0951 16.0269 12.1053 16.0269 16.9738 GPRESSAVG: 1978200 31.5285 13.3572 14.2697 14.3204 -21.9304 16.2004 10.7529 13.3078 16.076 TIMING: 1978200 CPU: 5741.13, 0.0028819/step Wall: 5741.13, 0.0028819/step, 2.41903 hours remaining, 207.476562 MB of memory in use. ENERGY: 1978200 768.8591 2073.2837 1975.7217 102.0208 -206191.3805 17821.2994 0.0000 0.0000 34401.5629 -149048.6329 300.4374 -183450.1957 -148954.6491 299.4921 -6.0329 32.4747 557404.0057 8.7279 8.5580 PRESSURE: 1978400 -72.8545 7.59252 -19.5608 7.59161 -148.376 132.198 -19.5614 132.198 139.416 GPRESSURE: 1978400 -69.9342 -8.84214 -19.4613 49.7187 -57.3309 172.099 -36.3222 156.212 134.351 PRESSAVG: 1978400 -0.279161 38.3419 38.0157 38.342 20.6455 50.6509 38.0157 50.6509 15.5117 GPRESSAVG: 1978400 -0.287058 37.8351 35.2739 37.8115 20.1576 49.3791 37.2283 49.6085 15.7075 TIMING: 1978400 CPU: 5741.7, 0.00287554/step Wall: 5741.7, 0.00287554/step, 2.41354 hours remaining, 207.488281 MB of memory in use. ENERGY: 1978400 768.2853 2088.2363 1968.7790 115.0141 -205792.1329 17744.3061 0.0000 0.0000 34194.1146 -148913.3974 298.6257 -183107.5120 -148817.8254 300.2177 -27.2714 2.3620 556991.8957 11.9594 11.8593 PRESSURE: 1978600 36.9322 19.8802 -170.782 19.8807 6.14514 42.0873 -170.784 42.0876 61.2752 GPRESSURE: 1978600 39.4162 1.9039 -204.811 11.2781 18.9486 6.52665 -204.489 48.3263 140.222 PRESSAVG: 1978600 37.0143 3.42835 9.58983 3.42834 -51.2852 13.6752 9.58975 13.6753 59.3213 GPRESSAVG: 1978600 36.7188 2.27423 9.83569 3.63072 -51.0248 16.0166 11.7762 13.2731 58.9663 TIMING: 1978600 CPU: 5742.28, 0.00287006/step Wall: 5742.28, 0.00287006/step, 2.40878 hours remaining, 207.488281 MB of memory in use. ENERGY: 1978600 734.1934 2094.7338 1972.1644 115.4499 -206343.4188 17829.9890 0.0000 0.0000 34550.6901 -149046.1983 301.7398 -183596.8883 -148946.3812 299.8475 34.7842 66.1955 556455.0772 15.0168 14.8868 PRESSURE: 1978800 -456.717 84.9884 -160.048 84.9872 -236.628 92.8483 -160.048 92.8482 -15.1994 GPRESSURE: 1978800 -382.324 40.2573 -104.382 122.952 -202.702 85.1128 -198.03 5.0976 -17.7671 PRESSAVG: 1978800 -42.7201 21.5224 -87.6964 21.5222 -12.5964 -13.4028 -87.6963 -13.4027 55.5776 GPRESSAVG: 1978800 -41.5363 23.4633 -87.8243 21.3442 -14.4375 -11.2569 -89.6559 -14.258 56.0374 TIMING: 1978800 CPU: 5742.85, 0.0028664/step Wall: 5742.85, 0.0028664/step, 2.40554 hours remaining, 207.488281 MB of memory in use. ENERGY: 1978800 742.2438 2097.6143 1969.0967 123.5375 -205779.2662 17544.6339 0.0000 0.0000 34401.9757 -148900.1643 300.4410 -183302.1401 -148800.0089 300.2070 -236.1814 -200.9311 558490.2908 0.0871 0.0212 PRESSURE: 1979000 -246.364 128.857 36.3614 128.857 -26.7903 -80.0034 36.3603 -80.0022 198.37 GPRESSURE: 1979000 -218.845 15.8708 -9.18961 87.4187 -3.99808 -96.2387 63.7454 -92.144 238.723 PRESSAVG: 1979000 -60.8765 -7.73713 6.91455 -7.73717 -23.3983 -20.8032 6.91453 -20.803 78.2862 GPRESSAVG: 1979000 -62.468 -11.1509 7.28754 -5.74848 -22.0154 -23.2803 7.67119 -20.3094 78.4705 TIMING: 1979000 CPU: 5743.43, 0.00288362/step Wall: 5743.43, 0.00288362/step, 2.41984 hours remaining, 207.488281 MB of memory in use. ENERGY: 1979000 729.1564 2076.6039 2001.2694 116.7074 -206140.8588 17968.8003 0.0000 0.0000 34324.5124 -148923.8090 299.7645 -183248.3214 -148830.1831 299.8950 -24.9284 5.2934 558461.0613 -1.9962 -2.0043 PRESSURE: 1979200 -178.392 -35.8792 -16.8705 -35.879 10.1995 35.6447 -16.8721 35.6443 14.4889 GPRESSURE: 1979200 -97.1466 -17.7044 54.6682 -41.8194 -85.0665 22.4368 -1.4069 111.991 126.644 PRESSAVG: 1979200 -19.413 45.363 -37.2461 45.3629 -26.1877 0.075446 -37.2462 0.0755475 41.9688 GPRESSAVG: 1979200 -19.1191 48.3332 -38.1267 42.8601 -26.6496 -0.412997 -37.5235 2.18152 41.7804 TIMING: 1979200 CPU: 5744, 0.00286941/step Wall: 5744, 0.00286941/step, 2.40775 hours remaining, 207.488281 MB of memory in use. ENERGY: 1979200 786.7071 2038.1833 1990.6534 112.3933 -206135.6248 17866.2722 0.0000 0.0000 34455.0351 -148886.3805 300.9044 -183341.4156 -148784.7759 300.0009 -51.2347 -18.5230 557512.1354 -1.2107 -1.3295 PRESSURE: 1979400 -142.628 136.447 -82.8647 136.446 97.2887 -91.6267 -82.8648 -91.6252 -171.93 GPRESSURE: 1979400 -85.199 66.3351 13.9547 240.538 51.1827 -83.8717 -114.504 -91.5435 -81.4476 PRESSAVG: 1979400 -53.5982 85.5855 -69.3169 85.5855 26.1363 -8.71373 -69.3169 -8.71379 79.0459 GPRESSAVG: 1979400 -52.6675 84.163 -69.3894 87.3522 24.7358 -10.2385 -67.6658 -9.46488 79.6674 TIMING: 1979400 CPU: 5744.58, 0.00288187/step Wall: 5744.58, 0.00288187/step, 2.41805 hours remaining, 207.488281 MB of memory in use. ENERGY: 1979400 776.9192 2112.7927 1966.0783 105.9668 -205757.8343 17660.9759 0.0000 0.0000 34380.7850 -148754.3164 300.2559 -183135.1014 -148655.7944 299.9536 -72.4230 -38.4880 558033.1062 17.1947 17.2453 PRESSURE: 1979600 -354.132 -83.2884 23.644 -83.2898 -153.287 -49.6369 23.644 -49.6365 -193.599 GPRESSURE: 1979600 -343.434 13.621 -23.0555 -102.355 -37.3814 -98.3128 -17.9354 -17.8181 -228.266 PRESSAVG: 1979600 -64.0848 -51.6757 -30.2288 -51.6757 -30.7481 -33.5609 -30.2288 -33.5609 53.175 GPRESSAVG: 1979600 -66.219 -49.3476 -28.3783 -53.2469 -26.959 -31.6939 -33.6851 -33.857 51.2165 TIMING: 1979600 CPU: 5745.16, 0.00289786/step Wall: 5745.16, 0.00289786/step, 2.43131 hours remaining, 207.488281 MB of memory in use. ENERGY: 1979600 741.4788 2083.0072 1943.2226 124.6882 -205480.5301 17493.9592 0.0000 0.0000 34220.6377 -148873.5364 298.8573 -183094.1740 -148779.5575 299.7274 -233.6726 -203.0272 559478.9963 -13.8859 -13.9872 PRESSURE: 1979800 -106.304 -23.6382 11.623 -23.6386 101.27 37.504 11.6232 37.5036 -72.237 GPRESSURE: 1979800 -21.8605 -111.038 -113.087 63.1594 115.193 -50.1778 125.862 77.8896 -76.9357 PRESSAVG: 1979800 -45.0782 15.1672 -44.2214 15.1673 3.70448 -67.9367 -44.2215 -67.9366 26.0059 GPRESSAVG: 1979800 -44.5312 14.703 -46.7743 14.1052 3.05118 -67.9285 -42.7973 -68.5164 26.0147 TIMING: 1979800 CPU: 5745.73, 0.00288989/step Wall: 5745.73, 0.00288989/step, 2.42446 hours remaining, 207.488281 MB of memory in use. ENERGY: 1979800 738.0709 2102.1671 1958.9307 124.7883 -205806.4808 17723.8222 0.0000 0.0000 34188.8635 -148969.8381 298.5798 -183158.7016 -148875.3633 299.7003 -25.7572 5.4656 558332.2006 -5.1226 -5.1551 PRESSURE: 1980000 16.4676 75.7016 -107.342 75.7008 -35.6498 24.517 -107.342 24.5171 -71.4627 GPRESSURE: 1980000 39.809 112.728 -120.666 29.5988 12.4296 28.373 -140.769 54.1152 -34.013 PRESSAVG: 1980000 -3.16692 18.4258 -11.6044 18.4258 -34.7714 17.216 -11.6043 17.2161 24.553 GPRESSAVG: 1980000 -3.39697 17.0052 -10.8058 19.7494 -36.4373 14.8905 -10.0508 19.6146 25.5907 TIMING: 1980000 CPU: 5746.31, 0.00287957/step Wall: 5746.31, 0.00287957/step, 2.41564 hours remaining, 207.488281 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: 1980000 739.1020 2107.4101 1960.0839 102.5355 -206336.3019 17808.7695 0.0000 0.0000 34580.6126 -149037.7882 302.0011 -183618.4007 -148937.8194 299.3085 -30.2150 6.0752 559062.5021 -4.4618 -4.7478 PRESSURE: 1980200 -275.316 27.8667 48.513 27.8661 -391.382 -100.147 48.5134 -100.149 123.351 GPRESSURE: 1980200 -212.97 -8.29133 -0.697307 47.8778 -332.687 -69.5217 34.5816 -76.3695 99.2034 PRESSAVG: 1980200 -31.2993 -9.59553 32.6363 -9.59553 -60.3891 -30.8566 32.6362 -30.8566 98.0743 GPRESSAVG: 1980200 -31.4251 -9.45767 34.77 -9.18348 -59.5487 -30.1324 28.5387 -31.2765 97.0493 TIMING: 1980200 CPU: 5746.89, 0.00288902/step Wall: 5746.89, 0.00288902/step, 2.42341 hours remaining, 207.488281 MB of memory in use. ENERGY: 1980200 751.9245 2026.8705 1987.5429 120.6792 -205469.1502 17530.1816 0.0000 0.0000 34158.4856 -148893.4659 298.3146 -183051.9515 -148797.3541 300.6190 -181.1154 -148.8178 558541.7161 2.1286 2.0252 LDB: ============= START OF LOAD BALANCING ============== 5750.35 LDB: ============== END OF LOAD BALANCING =============== 5750.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5750.35 LDB: ============= START OF LOAD BALANCING ============== 5750.64 LDB: Largest compute 4820 load 0.028089 is 23.8% of average load 0.117844 LDB: Average compute 0.001706 is 1.4% of average load 0.117844 LDB: TIME 5750.64 LOAD: AVG 0.117844 MAX 0.175421 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 5750.64 LOAD: AVG 0.117844 MAX 0.175421 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 5750.64 LOAD: AVG 0.117844 MAX 0.175421 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 5750.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5750.65 PRESSURE: 1980400 -178.082 96.7299 -74.5763 96.7304 -134.671 109.962 -74.5773 109.961 -42.0279 GPRESSURE: 1980400 -132.489 28.2739 -1.20878 137.085 -85.7529 110.655 -81.7736 123.567 -42.0078 PRESSAVG: 1980400 -10.0003 -1.1972 -8.67685 -1.19722 -11.6439 -27.6469 -8.6769 -27.6468 55.1806 GPRESSAVG: 1980400 -10.7529 -1.66524 -10.8762 -1.97212 -12.002 -26.0532 -4.99698 -28.9748 55.9685 TIMING: 1980400 CPU: 5747.47, 0.00293414/step Wall: 5747.47, 0.00293414/step, 2.46109 hours remaining, 205.363281 MB of memory in use. ENERGY: 1980400 758.0824 2100.9004 1969.7096 111.7299 -206060.9250 17713.4783 0.0000 0.0000 34568.4480 -148838.5763 301.8949 -183407.0244 -148740.6124 300.1937 -118.2603 -86.7497 558254.5249 11.1788 11.0712 PRESSURE: 1980600 20.9522 74.785 -27.7027 74.7848 181.254 36.9902 -27.7014 36.9917 -32.82 GPRESSURE: 1980600 55.3755 145.928 9.08215 99.9336 198.982 -79.473 -76.3998 58.2696 16.4394 PRESSAVG: 1980600 -17.4346 73.5257 11.7977 73.5257 -36.3541 -34.0928 11.7977 -34.0928 55.6603 GPRESSAVG: 1980600 -15.9969 74.4685 13.829 74.0998 -37.1079 -35.0132 11.4165 -35.3866 55.7307 TIMING: 1980600 CPU: 5748.06, 0.00290532/step Wall: 5748.06, 0.00290532/step, 2.43676 hours remaining, 205.605469 MB of memory in use. ENERGY: 1980600 784.8380 2083.5522 1970.6349 111.9365 -206267.6457 17997.0451 0.0000 0.0000 34473.0034 -148846.6358 301.0613 -183319.6391 -148749.3232 300.8622 56.4620 90.2655 559031.1421 0.6239 0.8753 PRESSURE: 1980800 232.216 66.0694 14.1154 66.0691 -17.3615 -120.176 14.115 -120.176 267.98 GPRESSURE: 1980800 311.882 72.9555 -5.51496 107.951 27.3213 -151.279 -15.4298 -55.0393 240.245 PRESSAVG: 1980800 -11.6539 -1.81851 -70.4219 -1.81855 7.27208 -45.4265 -70.422 -45.4264 6.80734 GPRESSAVG: 1980800 -11.249 -2.8138 -71.8691 -2.38471 7.96803 -46.3486 -70.0746 -43.1997 6.02202 TIMING: 1980800 CPU: 5748.63, 0.0028964/step Wall: 5748.63, 0.0028964/step, 2.42912 hours remaining, 205.605469 MB of memory in use. ENERGY: 1980800 735.0125 2130.4332 1989.3821 99.1067 -205885.3168 17910.9669 0.0000 0.0000 34393.6111 -148626.8042 300.3680 -183020.4153 -148528.9507 300.5387 160.9451 193.1495 557495.3875 0.8085 0.9137 PRESSURE: 1981000 44.4582 -67.0972 124.705 -67.0984 35.8821 -179.866 124.704 -179.865 89.9333 GPRESSURE: 1981000 85.3812 -178.576 88.2998 25.2667 64.3102 -273.783 134.745 -173.448 107.068 PRESSAVG: 1981000 -75.8067 -9.91541 -46.332 -9.9154 23.6036 -38.2877 -46.332 -38.2876 61.5752 GPRESSAVG: 1981000 -76.7709 -10.0188 -44.8822 -9.37107 22.3932 -38.3634 -48.589 -38.4809 63.1279 TIMING: 1981000 CPU: 5749.21, 0.00289401/step Wall: 5749.21, 0.00289401/step, 2.42695 hours remaining, 205.605469 MB of memory in use. ENERGY: 1981000 742.1506 2100.9560 1971.5477 132.4193 -205896.9263 17766.9314 0.0000 0.0000 34317.4139 -148865.5073 299.7025 -183182.9212 -148765.1238 300.3885 56.7579 85.5866 557721.6219 3.1240 2.9167 PRESSURE: 1981200 -85.3117 151.958 49.6087 151.956 -246.905 -133.478 49.609 -133.479 -154.618 GPRESSURE: 1981200 -34.3261 166.214 34.1681 134.427 -220.903 -92.8641 12.9681 -184.746 -138.191 PRESSAVG: 1981200 101.808 -33.0382 15.5931 -33.0382 -87.3754 12.3813 15.5931 12.3812 10.4575 GPRESSAVG: 1981200 102.19 -31.2429 14.0427 -33.4418 -86.6417 12.7151 15.9342 10.1125 9.05147 TIMING: 1981200 CPU: 5749.79, 0.00288916/step Wall: 5749.79, 0.00288916/step, 2.42272 hours remaining, 205.605469 MB of memory in use. ENERGY: 1981200 765.6836 2107.9645 1936.7330 113.1463 -205480.6846 17434.0483 0.0000 0.0000 34362.9129 -148760.1961 300.0999 -183123.1090 -148655.6914 299.8713 -162.2782 -131.1402 556832.1690 8.2966 8.1999 PRESSURE: 1981400 53.5596 4.5699 -91.4985 4.5696 -27.6713 55.1808 -91.4985 55.1836 -232.805 GPRESSURE: 1981400 45.1761 20.9735 -27.4804 45.574 0.723778 -7.3682 -60.3638 112.07 -152.675 PRESSAVG: 1981400 55.7912 -54.2862 -6.83888 -54.2863 -9.79762 16.6996 -6.83887 16.6996 -19.1093 GPRESSAVG: 1981400 55.8682 -54.4277 -5.9922 -54.1518 -10.5824 16.035 -5.36231 19.7365 -18.3422 TIMING: 1981400 CPU: 5750.38, 0.00292068/step Wall: 5750.38, 0.00292068/step, 2.44899 hours remaining, 205.605469 MB of memory in use. ENERGY: 1981400 730.1040 2103.5676 1963.9308 114.4358 -205710.7720 17434.4390 0.0000 0.0000 34652.9391 -148711.3557 302.6327 -183364.2948 -148614.3436 301.0262 -68.9723 -35.5918 556529.7528 8.9614 8.9812 PRESSURE: 1981600 114.622 -63.8937 -110.492 -63.8959 47.0269 64.622 -110.492 64.6205 -27.8613 GPRESSURE: 1981600 87.046 -19.4695 -128.212 -95.5661 127.486 -6.90513 -103.951 132.753 13.937 PRESSAVG: 1981600 49.4405 -7.77534 -40.6664 -7.77527 -25.3068 2.36607 -40.6663 2.36622 -40.2777 GPRESSAVG: 1981600 48.8583 -8.33724 -41.0212 -7.26389 -24.6634 4.84348 -41.5281 0.534121 -39.8119 TIMING: 1981600 CPU: 5750.95, 0.00289731/step Wall: 5750.95, 0.00289731/step, 2.42924 hours remaining, 205.605469 MB of memory in use. ENERGY: 1981600 723.6381 2112.4565 1976.8101 123.4518 -205901.6988 17772.4797 0.0000 0.0000 34344.7321 -148848.1305 299.9411 -183192.8626 -148744.6164 301.1019 44.5959 76.1562 557067.3218 -5.3813 -5.2056 PRESSURE: 1981800 -168.042 -83.8746 48.8225 -83.8746 -254.983 70.1201 48.8225 70.1208 -177.926 GPRESSURE: 1981800 -150.768 -36.4372 35.0152 -172.496 -195.162 42.0473 26.8364 97.441 -155.337 PRESSAVG: 1981800 54.9287 50.2452 -75.331 50.2452 -58.1815 25.5225 -75.3311 25.5224 -63.8946 GPRESSAVG: 1981800 55.0316 49.5324 -74.4701 49.3465 -57.2463 25.7297 -75.6009 25.1263 -65.0836 TIMING: 1981800 CPU: 5751.53, 0.00288316/step Wall: 5751.53, 0.00288316/step, 2.41721 hours remaining, 205.605469 MB of memory in use. ENERGY: 1981800 768.2060 2052.7985 1962.5269 115.7146 -205578.6002 17598.0516 0.0000 0.0000 34361.9085 -148719.3940 300.0911 -183081.3025 -148617.1495 300.6386 -200.3171 -167.0891 560684.7482 -22.3825 -22.4328 PRESSURE: 1982000 -90.8062 -18.2283 -206.724 -18.2279 -60.11 184.33 -206.725 184.331 -67.954 GPRESSURE: 1982000 -15.6828 91.8695 -176.45 -51.6784 -94.6925 119.307 -183.272 289.907 -11.8447 PRESSAVG: 1982000 26.0235 62.0632 -33.2873 62.0632 -41.4095 31.262 -33.2872 31.262 -20.6022 GPRESSAVG: 1982000 26.5561 61.135 -35.294 63.1046 -43.0208 28.8019 -31.5879 31.8861 -20.0694 TIMING: 1982000 CPU: 5752.11, 0.00289022/step Wall: 5752.11, 0.00289022/step, 2.42297 hours remaining, 205.605469 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: 1982000 779.6691 2083.0147 1971.6289 117.7408 -205557.0088 17641.9658 0.0000 0.0000 34204.8353 -148758.1541 298.7193 -182962.9894 -148667.9676 300.2997 -72.9567 -40.7400 559582.1658 -11.9961 -12.1780 PRESSURE: 1982200 173.653 20.2362 83.7016 20.2366 104.346 82.8916 83.7031 82.8919 -188.453 GPRESSURE: 1982200 194.982 -7.94033 42.4312 -5.24467 63.9754 -16.868 139.281 159.475 -63.2413 PRESSAVG: 1982200 21.027 -9.85298 6.16841 -9.85299 -17.437 -3.80601 6.16849 -3.806 -32.4694 GPRESSAVG: 1982200 21.5583 -9.48777 8.54373 -10.266 -17.0167 -1.51773 3.5718 -5.59313 -33.4288 TIMING: 1982200 CPU: 5752.69, 0.00289077/step Wall: 5752.69, 0.00289077/step, 2.42327 hours remaining, 205.605469 MB of memory in use. ENERGY: 1982200 733.4799 2080.9423 1947.3867 103.6951 -206108.6571 18044.1682 0.0000 0.0000 34358.2970 -148840.6880 300.0596 -183198.9850 -148746.8829 299.9832 29.8487 65.2387 559811.0122 -9.6265 -9.6290 PRESSURE: 1982400 -95.2513 101.015 77.5254 101.015 84.5764 208.363 77.524 208.362 46.166 GPRESSURE: 1982400 -53.0246 113.631 19.0741 129.406 139.122 244.52 127.477 213.512 38.5003 PRESSAVG: 1982400 5.34636 -20.1755 19.8137 -20.1756 -16.1505 56.5047 19.8137 56.5047 18.6355 GPRESSAVG: 1982400 5.43198 -21.2096 17.5949 -19.9102 -15.51 56.6302 22.0282 57.1925 18.5168 TIMING: 1982400 CPU: 5753.26, 0.00288026/step Wall: 5753.26, 0.00288026/step, 2.4143 hours remaining, 205.605469 MB of memory in use. ENERGY: 1982400 728.9480 2116.9229 1977.9588 110.1582 -205697.1926 17699.8584 0.0000 0.0000 34216.1454 -148847.2009 298.8181 -183063.3463 -148749.7887 301.2665 11.8303 41.5326 558384.6910 2.6105 2.8130 PRESSURE: 1982600 -125.077 -35.9647 -43.8185 -35.9649 -95.5016 211.376 -43.8178 211.378 109.505 GPRESSURE: 1982600 -91.5209 29.3401 42.1882 -93.2947 -57.1084 143.745 -24.7637 169.318 135.102 PRESSAVG: 1982600 0.732896 -21.5495 12.4086 -21.5495 39.9691 48.8045 12.4085 48.8044 -43.5673 GPRESSAVG: 1982600 1.40457 -20.6183 14.1269 -20.6383 39.1149 47.8737 11.3015 49.2776 -43.5119 TIMING: 1982600 CPU: 5753.84, 0.00289279/step Wall: 5753.84, 0.00289279/step, 2.42464 hours remaining, 205.605469 MB of memory in use. ENERGY: 1982600 776.7493 2097.1758 1934.5122 111.7667 -205936.5911 17721.8361 0.0000 0.0000 34510.8310 -148783.7198 301.3917 -183294.5509 -148692.0525 301.0396 -37.0245 -4.5091 557242.2247 -0.9551 -0.9975 PRESSURE: 1982800 -192.461 -8.44252 -39.6949 -8.44303 -128.563 151.74 -39.6945 151.739 -251.324 GPRESSURE: 1982800 -133.121 76.2778 -12.1295 -42.1066 -137.887 191.854 6.2165 73.1822 -203.22 PRESSAVG: 1982800 8.31117 -14.2189 -39.8327 -14.219 -58.3189 -4.8363 -39.8326 -4.8364 56.1723 GPRESSAVG: 1982800 7.2038 -13.2236 -41.8882 -14.7255 -58.2406 -2.02349 -38.96 -5.93474 57.9944 TIMING: 1982800 CPU: 5754.42, 0.00290554/step Wall: 5754.42, 0.00290554/step, 2.43516 hours remaining, 205.605469 MB of memory in use. ENERGY: 1982800 752.9392 2085.0397 1948.7669 118.3903 -205528.8857 17408.4797 0.0000 0.0000 34391.6884 -148823.5814 300.3512 -183215.2698 -148723.9086 300.8882 -190.7827 -158.0760 559292.0648 2.0549 2.3192 PRESSURE: 1983000 34.8309 -21.8795 -25.2918 -21.8809 260.625 120.321 -25.2927 120.323 10.0341 GPRESSURE: 1983000 91.3133 -57.0414 -28.6475 -73.2292 258.899 24.4215 44.4425 140.118 49.7923 PRESSAVG: 1983000 -40.1621 -47.65 24.4254 -47.6499 -7.72019 20.9077 24.4253 20.9078 27.2424 GPRESSAVG: 1983000 -41.289 -48.4192 24.0675 -48.5469 -6.63529 19.4263 23.6695 21.1236 27.9916 TIMING: 1983000 CPU: 5755, 0.00289861/step Wall: 5755, 0.00289861/step, 2.4292 hours remaining, 205.605469 MB of memory in use. ENERGY: 1983000 752.7158 2144.1614 1932.9584 111.3353 -206097.1398 18077.2534 0.0000 0.0000 34409.3188 -148669.3966 300.5051 -183078.7154 -148571.3715 300.5290 101.8301 133.3348 559323.1253 -6.8800 -6.6442 PRESSURE: 1983200 136.442 -133.23 -44.3812 -133.23 -41.2845 -0.883679 -44.3798 -0.885187 -107.373 GPRESSURE: 1983200 186.725 -220.492 -47.331 7.12503 -6.21836 -95.535 -6.35956 102.66 -92.4499 PRESSAVG: 1983200 6.37945 0.468854 -18.4715 0.468899 -11.0535 65.2397 -18.4715 65.2398 -34.0662 GPRESSAVG: 1983200 7.91097 -0.921937 -16.4413 2.25774 -11.9836 64.3709 -18.087 68.9253 -34.3789 TIMING: 1983200 CPU: 5755.58, 0.0028873/step Wall: 5755.58, 0.0028873/step, 2.41956 hours remaining, 205.730469 MB of memory in use. ENERGY: 1983200 731.0959 2149.9801 1962.5611 110.0537 -206027.9126 17708.1365 0.0000 0.0000 34539.6357 -148826.4496 301.6432 -183366.0853 -148725.5275 300.4885 -4.0720 29.3523 559630.3275 -12.9134 -12.8172 PRESSURE: 1983400 221.366 61.2286 -218.397 61.2279 -65.9551 17.139 -218.396 17.1387 195.301 GPRESSURE: 1983400 251.247 -22.8848 -185.63 -46.5826 -45.5957 38.6416 -165.074 -30.8528 247.133 PRESSAVG: 1983400 33.5508 -5.22066 15.128 -5.2206 5.5762 61.4629 15.1279 61.4629 -30.2448 GPRESSAVG: 1983400 33.7408 -3.77459 14.2668 -6.30774 5.34393 61.7124 15.4265 58.5513 -30.4728 TIMING: 1983400 CPU: 5756.16, 0.00289404/step Wall: 5756.16, 0.00289404/step, 2.42505 hours remaining, 205.730469 MB of memory in use. ENERGY: 1983400 726.4617 2084.6691 1978.5207 124.8127 -205860.6961 17909.7123 0.0000 0.0000 34256.9934 -148779.5261 299.1748 -183036.5194 -148686.1975 300.0506 116.9037 150.9282 558199.1078 2.9607 2.8706 PRESSURE: 1983600 35.6057 38.6895 -23.2612 38.6922 -135.262 2.78578 -23.261 2.78423 -378.181 GPRESSURE: 1983600 58.9125 -41.9416 -149.402 25.7305 -120.099 -62.3162 -25.2864 35.8932 -323.338 PRESSAVG: 1983600 -23.7763 -9.38349 -1.31476 -9.38356 25.1727 0.135227 -1.31469 0.135205 -33.0507 GPRESSAVG: 1983600 -24.2814 -9.96706 -0.690214 -9.71979 25.2013 0.429805 -3.41649 2.82452 -32.802 TIMING: 1983600 CPU: 5756.74, 0.00289313/step Wall: 5756.74, 0.00289313/step, 2.42412 hours remaining, 205.730469 MB of memory in use. ENERGY: 1983600 765.8294 2122.9993 1957.5520 107.9899 -205670.9285 17590.1316 0.0000 0.0000 34351.1571 -148775.2694 299.9972 -183126.4265 -148678.1340 300.0559 -159.2793 -128.1748 558366.2641 -10.5514 -10.6274 PRESSURE: 1983800 -212.715 16.2633 -53.3695 16.2622 88.1877 -31.2029 -53.3686 -31.2032 -299.651 GPRESSURE: 1983800 -154.837 40.4193 -119.477 -41.9726 126.049 -5.13304 7.70103 66.0665 -298.365 PRESSAVG: 1983800 -6.53275 33.3869 33.6019 33.3868 11.9461 22.2297 33.602 22.2297 -12.8186 GPRESSAVG: 1983800 -7.01614 32.1339 33.2304 35.1526 11.4907 22.2896 33.884 19.7659 -11.575 TIMING: 1983800 CPU: 5757.31, 0.0028747/step Wall: 5757.31, 0.0028747/step, 2.40852 hours remaining, 205.730469 MB of memory in use. ENERGY: 1983800 770.7824 2046.0886 1966.6975 107.5561 -205982.4827 17779.4966 0.0000 0.0000 34531.9125 -148779.9490 301.5758 -183311.8615 -148685.7481 300.2307 -141.3929 -109.0511 559368.9537 -2.4684 -2.3668 PRESSURE: 1984000 -42.6503 44.9239 16.5268 44.9241 -196.339 79.3519 16.5285 79.3528 -252.849 GPRESSURE: 1984000 -3.13166 108.395 -65.6855 -11.6552 -175.109 59.0927 44.7755 74.5031 -216.464 PRESSAVG: 1984000 -28.9026 27.2957 -2.28372 27.2957 108.244 0.0323022 -2.28366 0.0324386 -53.2092 GPRESSAVG: 1984000 -29.5805 30.4531 -2.15469 24.9561 110.311 0.80803 -1.94562 -0.327941 -55.2443 TIMING: 1984000 CPU: 5757.89, 0.002889/step Wall: 5757.89, 0.002889/step, 2.42034 hours remaining, 205.730469 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: 1984000 759.5270 2115.2472 1972.5610 106.3498 -205789.1409 17624.8008 0.0000 0.0000 34392.1416 -148818.5135 300.3551 -183210.6551 -148732.3468 299.3704 -163.9462 -131.5683 559768.2545 8.7108 8.4955 PRESSURE: 1984200 -199.22 76.7116 -106.715 76.7117 -71.5712 -142.643 -106.716 -142.644 -175.842 GPRESSURE: 1984200 -109.416 38.0541 -90.8084 -5.77698 -82.054 -151.44 -89.7599 -162.145 -162.837 PRESSAVG: 1984200 6.4168 29.8154 -19.4514 29.8154 7.75484 9.30325 -19.4514 9.30304 -33.2322 GPRESSAVG: 1984200 6.97262 26.9079 -17.0188 30.862 6.13364 9.59895 -22.3376 8.65834 -32.2285 TIMING: 1984200 CPU: 5758.46, 0.00286686/step Wall: 5758.46, 0.00286686/step, 2.40163 hours remaining, 205.730469 MB of memory in use. ENERGY: 1984200 711.5589 2130.7928 1988.8061 107.2748 -205706.7679 17520.8225 0.0000 0.0000 34231.7472 -149015.7657 298.9544 -183247.5129 -148916.9082 299.9854 -148.8776 -118.1022 557977.0815 -6.3535 -6.3741 LDB: ============= START OF LOAD BALANCING ============== 5761.93 LDB: ============== END OF LOAD BALANCING =============== 5761.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5761.93 LDB: ============= START OF LOAD BALANCING ============== 5762.22 LDB: Largest compute 4820 load 0.028642 is 24.3% of average load 0.117783 LDB: Average compute 0.001712 is 1.5% of average load 0.117783 LDB: TIME 5762.22 LOAD: AVG 0.117783 MAX 0.179087 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.32 MB LDB: TIME 5762.22 LOAD: AVG 0.117783 MAX 0.179087 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 5762.22 LOAD: AVG 0.117783 MAX 0.179087 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5762.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5762.23 PRESSURE: 1984400 -175.209 197.895 -12.4166 197.896 -37.4981 -48.4072 -12.4177 -48.4073 107.749 GPRESSURE: 1984400 -153.633 197.989 35.0976 89.2792 3.95413 -3.46363 -44.5374 -13.3672 152.05 PRESSAVG: 1984400 -34.8402 52.0346 -39.4426 52.0346 -12.3172 19.8866 -39.4427 19.8868 56.9341 GPRESSAVG: 1984400 -34.8932 53.5574 -42.8809 51.8987 -10.9967 17.688 -36.6748 21.8561 56.1669 TIMING: 1984400 CPU: 5759.05, 0.00295041/step Wall: 5759.05, 0.00295041/step, 2.47146 hours remaining, 207.664062 MB of memory in use. ENERGY: 1984400 760.2054 2147.9312 1974.5932 121.3296 -205916.0503 17703.0213 0.0000 0.0000 34267.3160 -148941.6535 299.2650 -183208.9695 -148849.3459 300.0003 -34.9860 0.7905 556186.0093 3.2589 3.4257 PRESSURE: 1984600 -206.807 -123.801 -18.7186 -123.8 -172.686 -35.6727 -18.7178 -35.671 -108.952 GPRESSURE: 1984600 -231.171 -222.745 7.99145 -101.281 -59.5249 -58.3211 -64.0045 31.2385 -98.6455 PRESSAVG: 1984600 -50.3723 -37.5508 31.3059 -37.5507 -1.47783 -27.9805 31.3059 -27.9805 47.7277 GPRESSAVG: 1984600 -51.1451 -36.579 32.8645 -37.4871 -1.60503 -29.0708 30.4813 -26.8385 48.1436 TIMING: 1984600 CPU: 5759.63, 0.00287363/step Wall: 5759.63, 0.00287363/step, 2.40698 hours remaining, 207.867188 MB of memory in use. ENERGY: 1984600 757.4908 2038.9911 1979.0759 109.6871 -206210.4905 17695.9257 0.0000 0.0000 34431.1816 -149198.1383 300.6961 -183629.3199 -149095.0599 299.5010 -162.8152 -129.7806 557409.8394 -1.3742 -1.5355 PRESSURE: 1984800 80.1076 14.7446 -29.3674 14.7434 353.49 -23.2342 -29.3679 -23.2354 -273.545 GPRESSURE: 1984800 43.4749 7.96333 -95.2209 -14.5902 371.646 45.3046 -36.7667 -25.9991 -163.002 PRESSAVG: 1984800 -18.276 18.9735 7.38063 18.9735 65.3724 -4.84723 7.38068 -4.84727 -50.8013 GPRESSAVG: 1984800 -18.1468 18.8367 6.91072 19.9602 65.2044 -3.54811 8.13311 -6.13827 -50.1392 TIMING: 1984800 CPU: 5760.2, 0.00288117/step Wall: 5760.2, 0.00288117/step, 2.41314 hours remaining, 207.867188 MB of memory in use. ENERGY: 1984800 733.9843 2074.7777 1985.8647 109.6053 -206163.3148 17759.8851 0.0000 0.0000 34134.9158 -149364.2819 298.1087 -183499.1977 -149263.8188 298.6828 53.3509 84.0398 556165.2286 -1.2350 -1.0272 PRESSURE: 1985000 -183.946 174.189 -140.27 174.189 102.479 -87.6477 -140.27 -87.6466 -74.047 GPRESSURE: 1985000 -218.533 143.65 -108.501 207.83 148.792 -98.4356 -141.23 -80.7214 7.52969 PRESSAVG: 1985000 -41.9019 8.89829 -48.3252 8.89838 53.7615 -19.0955 -48.3252 -19.0956 -46.5953 GPRESSAVG: 1985000 -40.4678 9.02328 -48.8756 5.36396 53.4816 -17.7454 -46.9555 -18.05 -47.8884 TIMING: 1985000 CPU: 5760.78, 0.00289589/step Wall: 5760.78, 0.00289589/step, 2.42531 hours remaining, 208.000000 MB of memory in use. ENERGY: 1985000 729.3518 2160.9734 1953.6821 127.6850 -206183.2876 17845.5741 0.0000 0.0000 34073.9570 -149292.0642 297.5763 -183366.0212 -149193.5985 298.4948 -51.8379 -20.7370 558935.4371 -11.5786 -11.6249 PRESSURE: 1985200 105.245 -57.1112 -76.5014 -57.1107 27.315 6.56082 -76.5018 6.56075 75.3007 GPRESSURE: 1985200 128.311 -6.44607 -132.056 -165.36 73.8875 99.4065 -94.528 -26.0782 90.6865 PRESSAVG: 1985200 1.12402 -8.7889 -21.0656 -8.78881 -11.2693 10.0547 -21.0656 10.0547 -3.74164 GPRESSAVG: 1985200 -0.632684 -10.0776 -19.1849 -5.81486 -10.4603 10.1329 -22.489 9.7328 -3.03169 TIMING: 1985200 CPU: 5761.36, 0.00290037/step Wall: 5761.36, 0.00290037/step, 2.4289 hours remaining, 208.000000 MB of memory in use. ENERGY: 1985200 749.0873 2129.6596 1981.6320 112.7182 -206366.7405 17900.5601 0.0000 0.0000 34225.2201 -149267.8631 298.8974 -183493.0832 -149169.8768 298.6973 69.2868 97.6285 557993.4581 -4.6290 -4.7082 PRESSURE: 1985400 -2.96247 19.0331 -77.3404 19.0328 40.0175 -154.385 -77.3404 -154.386 -74.5513 GPRESSURE: 1985400 38.158 62.3548 -12.7214 16.0931 95.2682 -204.767 -102.803 -202.084 -65.9687 PRESSAVG: 1985400 39.4907 -10.2806 -30.8443 -10.2806 -5.10733 8.22735 -30.8442 8.22746 -17.9722 GPRESSAVG: 1985400 39.2619 -10.2896 -30.9634 -11.8724 -3.97014 5.96039 -29.9836 5.73356 -18.7603 TIMING: 1985400 CPU: 5761.94, 0.00287933/step Wall: 5761.94, 0.00287933/step, 2.41112 hours remaining, 208.246094 MB of memory in use. ENERGY: 1985400 764.8809 2152.2409 1946.7595 120.4190 -206216.5467 17853.9479 0.0000 0.0000 33976.3596 -149401.9387 296.7240 -183378.2984 -149302.6841 298.0280 -12.4988 22.4858 558392.9680 5.4704 5.5105 PRESSURE: 1985600 41.6403 -31.265 32.7464 -31.2648 237.728 81.833 32.7471 81.8323 11.9916 GPRESSURE: 1985600 74.8249 -94.6433 -2.94456 -27.3911 254.888 145.195 7.87619 66.5967 71.243 PRESSAVG: 1985600 -4.86634 36.4032 -62.804 36.4032 -5.8135 3.22633 -62.8039 3.22636 -24.6569 GPRESSAVG: 1985600 -4.357 37.7905 -63.021 37.2057 -7.04564 6.19871 -61.5653 3.25147 -23.7481 TIMING: 1985600 CPU: 5762.52, 0.00288786/step Wall: 5762.52, 0.00288786/step, 2.4181 hours remaining, 208.246094 MB of memory in use. ENERGY: 1985600 714.1484 2094.6076 1957.3094 120.0921 -206291.7088 17844.8700 0.0000 0.0000 34290.4748 -149270.2064 299.4672 -183560.6812 -149166.8608 298.8253 97.1199 133.6519 557831.1122 -11.7789 -11.7169 PRESSURE: 1985800 -260.911 24.1456 -123.936 24.1449 -110.739 7.21791 -123.937 7.21801 0.521663 GPRESSURE: 1985800 -194.061 -12.2599 -66.0357 52.1201 -52.9078 -52.9678 -83.979 -12.475 -33.9461 PRESSAVG: 1985800 24.3781 -9.43079 -48.8664 -9.43073 3.66562 9.48446 -48.8664 9.48438 -17.0778 GPRESSAVG: 1985800 25.2505 -10.5165 -48.9136 -9.84239 3.2588 8.27186 -49.0317 11.4646 -18.2499 TIMING: 1985800 CPU: 5763.09, 0.00288394/step Wall: 5763.09, 0.00288394/step, 2.41466 hours remaining, 208.246094 MB of memory in use. ENERGY: 1985800 767.9955 2136.2241 1958.2855 118.4250 -206130.1755 17609.0180 0.0000 0.0000 34276.2076 -149264.0198 299.3426 -183540.2275 -149162.7977 298.7172 -123.7092 -93.6384 557451.6777 3.6553 3.4198 PRESSURE: 1986000 300.454 117.163 -37.385 117.161 -13.4939 28.8417 -37.3854 28.8421 -45.9717 GPRESSURE: 1986000 401.734 126.599 -98.9973 12.5456 21.4835 7.06353 -15.0869 51.0884 -74.6461 PRESSAVG: 1986000 26.1836 37.5561 -3.63807 37.5562 -43.4396 43.5657 -3.63807 43.5656 7.06839 GPRESSAVG: 1986000 25.2555 38.4634 -5.21208 37.4798 -42.9667 43.1767 -4.32356 41.9976 7.9457 TIMING: 1986000 CPU: 5763.67, 0.00287755/step Wall: 5763.67, 0.00287755/step, 2.40915 hours remaining, 208.246094 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: 1986000 715.1746 2058.8513 1967.9232 113.2582 -206225.8481 17898.2673 0.0000 0.0000 34287.9010 -149184.4725 299.4448 -183472.3735 -149086.2419 299.1115 80.3295 116.1905 558492.3313 -3.3959 -3.2552 PRESSURE: 1986200 111.442 -127.676 98.5895 -127.675 -35.0189 69.1885 98.5903 69.1896 61.6203 GPRESSURE: 1986200 171.834 -130.902 -13.1633 -171.082 -27.4209 53.2448 106.596 37.7136 91.01 PRESSAVG: 1986200 80.5071 -39.8975 27.9514 -39.8974 0.427993 23.8596 27.9515 23.8596 -74.4104 GPRESSAVG: 1986200 80.4416 -42.0355 29.9167 -38.5104 0.900577 23.9738 26.6847 25.5663 -74.6452 TIMING: 1986200 CPU: 5764.25, 0.00290024/step Wall: 5764.25, 0.00290024/step, 2.42798 hours remaining, 208.246094 MB of memory in use. ENERGY: 1986200 730.3027 2136.2342 1972.0901 114.2430 -206350.6170 17863.5641 0.0000 0.0000 34400.6475 -149133.5353 300.4294 -183534.1829 -149040.1206 299.8722 46.0146 78.4744 557464.3988 2.1749 2.2324 PRESSURE: 1986400 61.1784 -154.834 16.8402 -154.834 145.172 69.8986 16.8398 69.8991 93.3551 GPRESSURE: 1986400 110.06 -148.048 48.2531 -95.4927 168.289 130.425 12.9636 31.8521 109.984 PRESSAVG: 1986400 42.3146 -23.004 -51.3808 -23.004 13.6692 -30.1056 -51.3809 -30.1057 -39.7864 GPRESSAVG: 1986400 44.2682 -20.0328 -52.9779 -26.4934 13.3511 -29.0361 -50.0769 -31.2861 -40.8448 TIMING: 1986400 CPU: 5764.83, 0.00289161/step Wall: 5764.83, 0.00289161/step, 2.4206 hours remaining, 208.246094 MB of memory in use. ENERGY: 1986400 756.0955 2080.3084 1963.7179 114.1991 -206066.1693 17860.8095 0.0000 0.0000 34259.0725 -149031.9665 299.1930 -183291.0390 -148932.9355 299.1669 99.9020 129.4441 555747.9370 5.3991 5.5915 PRESSURE: 1986600 -67.5994 32.5825 -104.99 32.5829 44.0025 -4.62721 -104.99 -4.62781 -141.177 GPRESSURE: 1986600 -43.3852 -69.3595 -86.8014 40.3586 81.306 64.0559 -157.682 15.15 -102.447 PRESSAVG: 1986600 58.9545 -18.0796 0.374843 -18.0795 15.6679 5.4185 0.374826 5.4185 -72.1647 GPRESSAVG: 1986600 59.7819 -19.7127 1.24243 -17.6673 14.8848 4.89915 -0.509732 5.80146 -71.6978 TIMING: 1986600 CPU: 5765.41, 0.00288955/step Wall: 5765.41, 0.00288955/step, 2.41872 hours remaining, 208.246094 MB of memory in use. ENERGY: 1986600 738.9771 2065.4523 1941.8841 120.9351 -205751.0093 17468.3005 0.0000 0.0000 34239.9939 -149175.4662 299.0264 -183415.4601 -149084.2988 298.9431 -54.9247 -21.5087 558231.9669 0.8192 0.9897 PRESSURE: 1986800 32.9011 -160.047 -41.5736 -160.046 -33.8546 -158.396 -41.5729 -158.396 -254.55 GPRESSURE: 1986800 59.8216 -166.071 -113.079 -134.268 -20.4814 -134.197 16.2863 -189.676 -198.887 PRESSAVG: 1986800 51.1914 -26.8521 -48.4571 -26.8521 -19.2597 21.6117 -48.4571 21.6117 -24.6923 GPRESSAVG: 1986800 49.6498 -27.0931 -50.2798 -24.417 -18.5153 21.96 -47.8821 21.356 -23.1861 TIMING: 1986800 CPU: 5765.98, 0.00287244/step Wall: 5765.98, 0.00287244/step, 2.40423 hours remaining, 208.246094 MB of memory in use. ENERGY: 1986800 774.7078 2067.5817 1947.5349 120.6455 -206167.3296 17877.0308 0.0000 0.0000 34236.4781 -149143.3508 298.9957 -183379.8289 -149050.7962 300.0601 -85.1678 -53.1822 558171.9704 2.4131 2.6495 PRESSURE: 1987000 -15.8515 -46.8399 -37.3631 -46.8397 -278.458 23.5899 -37.3633 23.5893 130.539 GPRESSURE: 1987000 -34.4659 105.192 -33.8974 -13.3947 -230.436 109.739 4.06096 -22.3893 183.721 PRESSAVG: 1987000 67.1359 -9.05274 -14.6739 -9.05274 -58.3983 9.18591 -14.6739 9.18588 -1.69185 GPRESSAVG: 1987000 66.0028 -8.41326 -14.2353 -10.9806 -57.7641 8.22753 -13.9923 8.52546 -1.13506 TIMING: 1987000 CPU: 5766.55, 0.00285588/step Wall: 5766.55, 0.00285588/step, 2.39022 hours remaining, 208.246094 MB of memory in use. ENERGY: 1987000 781.4242 2114.4836 1979.3320 108.4793 -205725.1551 17481.1311 0.0000 0.0000 34249.2757 -149011.0291 299.1074 -183260.3049 -148909.5606 299.5397 -54.5903 -27.0601 555625.4853 2.3486 2.3679 PRESSURE: 1987200 189.604 2.38462 61.8999 2.38387 -46.5952 -126.855 61.8996 -126.855 17.505 GPRESSURE: 1987200 227.914 -43.3138 35.1378 -17.0769 15.1816 -33.2757 101.035 -114.213 14.5207 PRESSAVG: 1987200 55.1788 -14.2597 -33.6426 -14.2597 -102.287 -12.711 -33.6425 -12.7109 35.8325 GPRESSAVG: 1987200 55.2577 -11.6066 -31.4839 -15.2558 -102.344 -11.3738 -35.8087 -13.794 35.9016 TIMING: 1987200 CPU: 5767.13, 0.00288279/step Wall: 5767.13, 0.00288279/step, 2.41258 hours remaining, 208.246094 MB of memory in use. ENERGY: 1987200 785.9204 2085.0825 1935.1341 122.4767 -205836.9852 17796.0490 0.0000 0.0000 34285.8066 -148826.5157 299.4265 -183112.3223 -148729.1847 300.2290 53.5046 85.8720 557140.2867 -3.7585 -3.7282 PRESSURE: 1987400 -106.949 26.168 -3.95915 26.1669 40.2287 -27.9762 -3.959 -27.977 146.691 GPRESSURE: 1987400 -94.0337 -49.8668 -23.4305 85.1589 94.9726 -81.4774 -16.8 -56.3297 175.414 PRESSAVG: 1987400 -40.4096 -14.3291 -12.3686 -14.3292 3.33948 -1.07077 -12.3686 -1.07081 -35.4846 GPRESSAVG: 1987400 -39.8786 -17.2836 -12.8601 -12.9363 4.38419 -1.64871 -10.5906 -0.260963 -36.3711 TIMING: 1987400 CPU: 5767.71, 0.00288536/step Wall: 5767.71, 0.00288536/step, 2.41457 hours remaining, 208.246094 MB of memory in use. ENERGY: 1987400 733.6975 2075.0985 1974.2307 119.8357 -205840.3616 17675.7147 0.0000 0.0000 34469.3577 -148792.4269 301.0295 -183261.7846 -148692.2813 300.2177 26.6571 58.7844 557521.7404 -24.1849 -23.9552 PRESSURE: 1987600 256.876 -174.566 -220.534 -174.565 53.53 88.4128 -220.532 88.4136 -34.8701 GPRESSURE: 1987600 339.361 -182.409 -217.47 -88.764 43.1198 130.95 -134.025 69.0557 -24.0834 PRESSAVG: 1987600 9.36614 44.8815 8.14199 44.8814 34.8624 -14.2107 8.14205 -14.2107 -9.97832 GPRESSAVG: 1987600 9.40505 44.5385 10.8476 47.0801 34.0342 -12.1776 5.00371 -17.2831 -9.47668 TIMING: 1987600 CPU: 5768.29, 0.0029031/step Wall: 5768.29, 0.0029031/step, 2.42925 hours remaining, 208.246094 MB of memory in use. ENERGY: 1987600 741.2315 2066.1487 1950.7157 122.7579 -205884.1257 17905.9697 0.0000 0.0000 34340.2226 -148757.0796 299.9017 -183097.3022 -148657.5320 300.1560 91.8452 119.4659 556255.0672 11.4167 11.3209 PRESSURE: 1987800 -207.625 -45.0423 -82.3225 -45.0428 -48.4184 97.2903 -82.3219 97.2907 -192.588 GPRESSURE: 1987800 -195.587 -70.1976 -82.379 -36.1704 -0.809122 99.0294 -178.889 130.804 -172.069 PRESSAVG: 1987800 32.724 11.5424 -10.4068 11.5423 51.1226 4.38645 -10.4068 4.38621 0.627684 GPRESSAVG: 1987800 33.4954 12.3988 -13.7429 9.70921 50.5708 3.55489 -8.34389 9.13735 0.212366 TIMING: 1987800 CPU: 5768.87, 0.00291529/step Wall: 5768.87, 0.00291529/step, 2.43929 hours remaining, 208.246094 MB of memory in use. ENERGY: 1987800 728.6320 2134.5791 1946.9377 120.4049 -205663.7519 17634.0361 0.0000 0.0000 34373.7412 -148725.4209 300.1944 -183099.1621 -148633.9766 300.8810 -149.5437 -122.8216 559634.5507 28.1581 28.0929 PRESSURE: 1988000 -209.595 -60.587 -80.213 -60.5859 -97.3758 -85.1075 -80.2138 -85.1083 91.3548 GPRESSURE: 1988000 -170.413 -14.7089 -139.142 2.91899 -70.5762 -48.9189 -25.6322 -60.3793 126.146 PRESSAVG: 1988000 -16.2813 -19.7551 3.49999 -19.7552 35.044 13.5867 3.50002 13.5869 -2.1377 GPRESSAVG: 1988000 -17.3761 -19.667 4.49295 -18.2774 35.2982 10.6976 2.34927 14.3037 -0.827287 TIMING: 1988000 CPU: 5769.45, 0.0028994/step Wall: 5769.45, 0.0028994/step, 2.42583 hours remaining, 208.246094 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: 1988000 716.2390 2086.3305 1974.6180 116.6069 -205423.3834 17565.0086 0.0000 0.0000 34208.0790 -148756.5013 298.7477 -182964.5803 -148661.8502 299.9290 -71.8720 -38.2812 558675.9449 5.5417 5.6983 PRESSURE: 1988200 40.2549 -90.9099 -55.4092 -90.9108 81.5637 173.966 -55.4089 173.965 -191.045 GPRESSURE: 1988200 46.1096 -146.134 -34.2102 -63.1264 105.554 198.205 -12.8354 128.458 -141.717 PRESSAVG: 1988200 16.2505 34.1636 36.1804 34.1636 24.3316 13.2197 36.1804 13.2195 -65.2829 GPRESSAVG: 1988200 16.1023 32.3461 36.2796 34.4175 25.0211 12.5409 39.2402 10.7101 -65.7486 TIMING: 1988200 CPU: 5770.03, 0.00288653/step Wall: 5770.03, 0.00288653/step, 2.41491 hours remaining, 208.246094 MB of memory in use. ENERGY: 1988200 743.1886 2073.0388 1991.3496 108.7745 -205912.2106 17746.0195 0.0000 0.0000 34449.3936 -148800.4459 300.8551 -183249.8395 -148701.9539 300.0465 -23.0755 3.3155 558360.9318 -8.2336 -8.2084 LDB: ============= START OF LOAD BALANCING ============== 5773.49 LDB: ============== END OF LOAD BALANCING =============== 5773.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5773.49 LDB: ============= START OF LOAD BALANCING ============== 5773.78 LDB: Largest compute 4820 load 0.029375 is 24.9% of average load 0.117767 LDB: Average compute 0.001708 is 1.5% of average load 0.117767 LDB: TIME 5773.78 LOAD: AVG 0.117767 MAX 0.177935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 5773.78 LOAD: AVG 0.117767 MAX 0.177935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 5773.78 LOAD: AVG 0.117767 MAX 0.177935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: ============== END OF LOAD BALANCING =============== 5773.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5773.79 PRESSURE: 1988400 133.841 48.0642 -167.198 48.065 93.0054 11.298 -167.199 11.2983 -46.3903 GPRESSURE: 1988400 100.067 99.4332 -77.9328 71.7997 178.844 30.1788 -221.762 64.1534 0.443246 PRESSAVG: 1988400 28.6968 64.3394 0.510785 64.3394 -15.6407 37.9388 0.510799 37.9389 19.194 GPRESSAVG: 1988400 29.1781 67.2405 1.53527 62.3329 -15.4441 39.6688 0.253691 40.3194 18.6051 TIMING: 1988400 CPU: 5770.62, 0.00294632/step Wall: 5770.62, 0.00294632/step, 2.46476 hours remaining, 206.386719 MB of memory in use. ENERGY: 1988400 713.8343 2121.5728 1985.2500 103.2144 -205713.7161 17875.8394 0.0000 0.0000 34267.2288 -148646.7763 299.2642 -182914.0051 -148549.7018 300.5335 60.1519 93.1179 557892.3421 10.7500 10.7797 PRESSURE: 1988600 -244.944 29.8296 -102.623 29.829 96.1246 -6.97121 -102.621 -6.97205 -124.022 GPRESSURE: 1988600 -233.416 44.4833 -124.724 17.6555 174.122 -82.1413 -66.4696 40.4901 -121.926 PRESSAVG: 1988600 -22.0423 4.71258 -8.45978 4.71253 70.2814 -22.08 -8.4598 -22.08 -17.8211 GPRESSAVG: 1988600 -21.3627 4.75536 -6.26368 4.62479 69.334 -22.4235 -10.9248 -24.4187 -17.4836 TIMING: 1988600 CPU: 5771.19, 0.00288048/step Wall: 5771.19, 0.00288048/step, 2.40952 hours remaining, 206.644531 MB of memory in use. ENERGY: 1988600 768.8589 2092.3864 1985.4957 97.6933 -205788.0599 17673.9968 0.0000 0.0000 34589.6770 -148579.9518 302.0803 -183169.6288 -148487.4491 300.6843 -90.9471 -60.4066 558972.1497 10.1393 10.1626 PRESSURE: 1988800 -212.922 -114.09 38.7859 -114.091 -141.503 -54.1588 38.7842 -54.1577 -23.6456 GPRESSURE: 1988800 -175.885 -143.099 151.412 -52.8782 -111.075 -52.0976 -45.4015 -81.3793 3.23136 PRESSAVG: 1988800 -27.4328 -51.2658 54.5128 -51.2658 9.26065 -7.63164 54.513 -7.63178 0.781543 GPRESSAVG: 1988800 -27.9414 -50.9226 51.475 -51.4097 10.0682 -6.72477 55.7626 -6.50993 0.138086 TIMING: 1988800 CPU: 5771.77, 0.00288008/step Wall: 5771.77, 0.00288008/step, 2.40903 hours remaining, 206.644531 MB of memory in use. ENERGY: 1988800 709.0084 2095.1654 1956.0102 105.2097 -205496.7828 17710.4808 0.0000 0.0000 34300.4509 -148620.4574 299.5544 -182920.9082 -148525.3281 300.6438 -126.0234 -94.5763 559871.9792 -5.7969 -5.9117 PRESSURE: 1989000 -53.7587 -22.5453 60.3443 -22.5438 0.900965 -52.0791 60.3442 -52.0798 12.248 GPRESSURE: 1989000 -53.2245 -19.3486 153.788 -39.4088 37.7083 -32.8258 43.0926 -84.078 75.066 PRESSAVG: 1989000 -14.2341 -22.315 36.7835 -22.3151 -35.0468 27.4571 36.7835 27.4571 62.6165 GPRESSAVG: 1989000 -14.4119 -24.3317 36.5203 -22.1467 -34.8074 28.6322 36.5149 27.0218 62.4746 TIMING: 1989000 CPU: 5772.34, 0.00288525/step Wall: 5772.34, 0.00288525/step, 2.41319 hours remaining, 206.718750 MB of memory in use. ENERGY: 1989000 782.9748 2145.2156 1955.4265 115.7986 -205875.5199 17873.0697 0.0000 0.0000 34372.8587 -148630.1759 300.1867 -183003.0346 -148540.3252 299.8757 -13.5366 19.8499 558656.5251 4.4452 4.4184 PRESSURE: 1989200 150.785 -87.666 -174.288 -87.6667 -103.381 -44.0693 -174.289 -44.0676 34.4395 GPRESSURE: 1989200 203.935 -98.6067 -105.166 -95.6056 -71.3317 -19.6424 -142.023 45.7854 44.7368 PRESSAVG: 1989200 -22.5314 -10.5284 10.8069 -10.5284 18.5329 71.7982 10.8069 71.7982 -5.96152 GPRESSAVG: 1989200 -21.8964 -7.50739 10.6243 -11.4575 18.0442 69.2684 10.6166 72.7259 -5.39082 TIMING: 1989200 CPU: 5772.92, 0.00288046/step Wall: 5772.92, 0.00288046/step, 2.40902 hours remaining, 206.718750 MB of memory in use. ENERGY: 1989200 746.7512 2127.1388 1926.5244 113.1472 -205998.9374 17665.1188 0.0000 0.0000 34485.5386 -148934.7183 301.1708 -183420.2569 -148828.4811 300.3955 27.2814 59.1135 557229.6434 -3.3200 -3.0810 PRESSURE: 1989400 104.768 126.487 -199.051 126.487 5.09845 -71.5932 -199.051 -71.5943 120.429 GPRESSURE: 1989400 167.722 225.616 -47.7379 106.04 7.61333 -104.336 -212.683 -57.8369 163.418 PRESSAVG: 1989400 0.926022 -25.3977 -47.2121 -25.3977 63.1596 55.1052 -47.2121 55.1053 -17.2348 GPRESSAVG: 1989400 0.838917 -26.7136 -47.6 -23.5745 63.8697 56.4412 -47.0835 55.2322 -18.128 TIMING: 1989400 CPU: 5773.5, 0.00287905/step Wall: 5773.5, 0.00287905/step, 2.40769 hours remaining, 206.718750 MB of memory in use. ENERGY: 1989400 736.4518 2076.4784 1962.2943 105.7283 -206377.3944 17912.0944 0.0000 0.0000 34336.2779 -149248.0693 299.8673 -183584.3471 -149146.7246 299.6521 76.7650 112.9178 558043.4317 15.6169 15.5269 PRESSURE: 1989600 112.608 -40.6314 -155.265 -40.6307 142.932 -104.78 -155.266 -104.778 85.575 GPRESSURE: 1989600 207.265 -87.9293 -163.494 -99.6048 180.63 -20.3141 -90.3667 -129.532 65.882 PRESSAVG: 1989600 22.6765 -6.97537 -44.548 -6.97532 -12.6522 -3.92581 -44.5479 -3.92569 -30.4008 GPRESSAVG: 1989600 21.1882 -7.01902 -44.3505 -7.36456 -12.2917 -4.28418 -45.6764 -4.02068 -28.8051 TIMING: 1989600 CPU: 5774.08, 0.00289236/step Wall: 5774.08, 0.00289236/step, 2.41866 hours remaining, 206.718750 MB of memory in use. ENERGY: 1989600 752.7952 2107.6694 1966.3305 120.1206 -206824.8461 18160.7627 0.0000 0.0000 34524.4347 -149192.7329 301.5105 -183717.1676 -149088.6246 299.1432 113.7050 151.2592 556522.7438 -6.7922 -6.6362 PRESSURE: 1989800 160.314 -50.1429 68.6718 -50.1435 -272.885 94.4967 68.6723 94.498 -268.083 GPRESSURE: 1989800 194.677 -41.8957 75.746 -87.671 -212.694 97.0353 58.7873 29.731 -255.599 PRESSAVG: 1989800 38.625 -40.1108 -95.6349 -40.1107 57.2738 19.9581 -95.635 19.9582 -82.6646 GPRESSAVG: 1989800 40.0525 -39.3808 -96.3178 -41.1069 57.3478 21.1849 -94.5611 19.3954 -83.5538 TIMING: 1989800 CPU: 5774.65, 0.00289831/step Wall: 5774.65, 0.00289831/step, 2.42347 hours remaining, 206.718750 MB of memory in use. ENERGY: 1989800 754.7798 2132.9839 1953.3506 119.7530 -206328.2986 17720.9441 0.0000 0.0000 34278.0703 -149368.4170 299.3589 -183646.4872 -149266.9813 298.9366 -126.8848 -91.2052 558184.5129 4.4114 4.6155 PRESSURE: 1990000 -59.2559 54.7156 -97.1137 54.7164 -113.532 -87.0521 -97.1141 -87.0519 -82.0215 GPRESSURE: 1990000 45.2405 35.5372 -113.653 94.5294 -72.8605 -110.606 -46.535 -117.826 -125.452 PRESSAVG: 1990000 -41.2566 75.9637 0.989956 75.9638 40.9363 10.2451 0.989921 10.2451 -37.1763 GPRESSAVG: 1990000 -40.8029 76.7811 2.96417 74.3089 41.9501 9.32082 1.48784 11.1659 -38.8486 TIMING: 1990000 CPU: 5775.23, 0.00289543/step Wall: 5775.23, 0.00289543/step, 2.4209 hours remaining, 206.718750 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: 1990000 770.1549 2182.9410 1976.5569 104.1281 -206447.3498 17905.5693 0.0000 0.0000 34133.9893 -149374.0103 298.1006 -183507.9996 -149273.4022 299.4174 -84.9365 -51.0239 558331.3597 -12.4989 -12.5671 PRESSURE: 1990200 -131.843 39.5933 -76.5016 39.5925 175.98 19.5289 -76.5015 19.531 -73.63 GPRESSURE: 1990200 -103.522 -8.56836 -77.5473 45.9893 186.725 -53.4527 -107.092 51.5386 -15.4127 PRESSAVG: 1990200 -52.9356 -14.0768 -16.7575 -14.0767 54.107 5.15802 -16.7575 5.15805 6.68641 GPRESSAVG: 1990200 -52.5691 -14.3109 -18.9161 -11.4093 52.4946 4.54507 -17.0835 3.7703 7.9251 TIMING: 1990200 CPU: 5775.81, 0.00290064/step Wall: 5775.81, 0.00290064/step, 2.4251 hours remaining, 206.718750 MB of memory in use. ENERGY: 1990200 759.0022 2113.5924 1987.8033 112.1287 -206658.7702 17979.0339 0.0000 0.0000 34282.7903 -149424.4194 299.4001 -183707.2096 -149329.9878 299.1083 -9.8309 22.5970 557865.9099 2.6193 2.6169 PRESSURE: 1990400 -394.02 140.308 -58.5016 140.308 -130.484 131.446 -58.5011 131.447 -391.274 GPRESSURE: 1990400 -429.201 116.363 -64.5843 105.868 -86.5226 137.739 -107.568 114.081 -293.109 PRESSAVG: 1990400 -13.1444 20.5178 -28.958 20.5179 13.4746 24.4416 -28.9579 24.4416 -47.6027 GPRESSAVG: 1990400 -14.0504 17.7732 -25.7258 21.7972 14.5673 24.6383 -30.8287 24.9583 -47.6319 TIMING: 1990400 CPU: 5776.39, 0.00290256/step Wall: 5776.39, 0.00290256/step, 2.42654 hours remaining, 206.718750 MB of memory in use. ENERGY: 1990400 733.4927 2129.5956 1967.0361 112.2601 -206017.2114 17413.7714 0.0000 0.0000 34070.2271 -149590.8284 297.5438 -183661.0555 -149492.1385 298.4310 -305.2595 -269.6111 558883.4126 -15.7575 -15.7050 PRESSURE: 1990600 -36.9703 -69.556 69.4939 -69.555 -56.8045 -42.4028 69.493 -42.4025 -95.2437 GPRESSURE: 1990600 15.7194 -34.8165 31.9723 -106.142 -61.4562 -45.4337 135.657 -40.6237 -61.7294 PRESSAVG: 1990600 0.249037 15.2519 5.96964 15.2519 82.1169 31.311 5.96959 31.3108 -58.7786 GPRESSAVG: 1990600 1.14191 17.3276 1.90941 12.3566 81.4003 28.8888 9.12602 33.5298 -58.1709 TIMING: 1990600 CPU: 5776.97, 0.00288093/step Wall: 5776.97, 0.00288093/step, 2.4083 hours remaining, 206.718750 MB of memory in use. ENERGY: 1990600 787.1718 2129.0160 1979.6845 98.9232 -206860.4309 17886.8044 0.0000 0.0000 34385.9225 -149592.9084 300.3008 -183978.8309 -149501.3961 298.5266 -63.0061 -35.8221 556305.2159 7.8624 8.1238 PRESSURE: 1990800 -28.3826 -18.2913 55.2757 -18.2917 -565.9 105.742 55.2752 105.742 -132.348 GPRESSURE: 1990800 -19.8297 -39.2611 -42.4208 -8.94661 -498.32 19.9 75.9318 187.099 -108.111 PRESSAVG: 1990800 -3.11449 -29.6685 32.5195 -29.6685 -5.57526 -2.33392 32.5195 -2.33382 19.9132 GPRESSAVG: 1990800 -3.10493 -31.0669 32.9218 -26.0362 -4.68662 -0.361992 32.1174 -7.32667 18.9488 TIMING: 1990800 CPU: 5777.55, 0.00288192/step Wall: 5777.55, 0.00288192/step, 2.40896 hours remaining, 206.718750 MB of memory in use. ENERGY: 1990800 745.2135 2097.0598 1983.7246 117.2626 -205837.9524 17321.1332 0.0000 0.0000 34095.6451 -149477.9136 297.7657 -183573.5587 -149374.7102 298.3994 -242.2101 -208.7534 557610.8004 3.7412 3.7191 PRESSURE: 1991000 -124.982 -145.31 152.565 -145.312 4.92445 -4.60066 152.566 -4.60156 -101.795 GPRESSURE: 1991000 -66.8665 -154.335 219.006 -176.263 -22.7001 -11.7742 154.311 69.2303 -35.3883 PRESSAVG: 1991000 37.9814 -43.8136 18.9993 -43.8137 -35.2029 6.49855 18.9992 6.49842 46.8182 GPRESSAVG: 1991000 37.8643 -42.3114 19.6052 -46.8866 -36.1255 5.39284 19.9689 8.88945 47.7812 TIMING: 1991000 CPU: 5778.13, 0.00289245/step Wall: 5778.13, 0.00289245/step, 2.41761 hours remaining, 206.789062 MB of memory in use. ENERGY: 1991000 749.0372 2126.9205 1990.3361 122.8246 -206382.1428 17824.1676 0.0000 0.0000 34156.5488 -149412.3079 298.2976 -183568.8567 -149320.2368 297.9988 -73.9509 -41.6516 557573.7529 16.5322 16.5067 PRESSURE: 1991200 67.7785 29.7102 52.0335 29.7103 17.6828 -233.473 52.0336 -233.474 29.5645 GPRESSURE: 1991200 109.969 44.8468 113.556 76.1085 37.4499 -184.101 56.8437 -263.871 81.2758 PRESSAVG: 1991200 -16.392 -54.4514 -29.1603 -54.4514 16.3506 -2.74124 -29.1604 -2.74132 9.7589 GPRESSAVG: 1991200 -16.1902 -54.8366 -28.6228 -52.9603 16.2091 -0.536336 -29.5022 -1.86666 9.56571 TIMING: 1991200 CPU: 5778.7, 0.00286676/step Wall: 5778.7, 0.00286676/step, 2.39597 hours remaining, 206.789062 MB of memory in use. ENERGY: 1991200 745.5825 2076.4881 1961.4482 122.2912 -206490.8387 18070.6211 0.0000 0.0000 34079.0892 -149435.3182 297.6212 -183514.4075 -149344.7810 298.0711 38.3419 76.2317 558222.6555 3.2392 3.1949 PRESSURE: 1991400 -3.87434 15.5954 -136.466 15.5958 -24.7637 8.3577 -136.467 8.35792 -381.745 GPRESSURE: 1991400 4.72801 -1.53573 -155.621 -51.4011 27.3031 -15.4238 -76.4736 30.8114 -358.383 PRESSAVG: 1991400 42.7327 -17.5857 -19.9638 -17.5857 -34.7077 -14.1291 -19.9638 -14.1291 -3.6955 GPRESSAVG: 1991400 41.991 -17.5441 -17.9036 -18.6562 -33.746 -15.5191 -22.9832 -14.1841 -3.65795 TIMING: 1991400 CPU: 5779.27, 0.00285996/step Wall: 5779.27, 0.00285996/step, 2.39013 hours remaining, 206.789062 MB of memory in use. ENERGY: 1991400 734.7652 2113.3585 1940.8006 104.2234 -206525.4767 17828.1233 0.0000 0.0000 34279.1659 -149525.0398 299.3685 -183804.2057 -149430.5239 297.3231 -136.7942 -108.7838 558360.1080 1.4432 1.5290 PRESSURE: 1991600 -141.445 5.62931 -40.9481 5.62913 -28.0304 -112.224 -40.9471 -112.225 -233.78 GPRESSURE: 1991600 -72.9119 65.5384 18.6213 -41.5717 -17.6609 -61.7729 -42.6293 -242.867 -213.006 PRESSAVG: 1991600 -11.913 61.7028 -57.6448 61.7027 55.8586 -11.9181 -57.6448 -11.918 -36.431 GPRESSAVG: 1991600 -10.7063 61.211 -60.9963 62.8847 54.7312 -10.7025 -56.256 -13.029 -36.4795 TIMING: 1991600 CPU: 5779.84, 0.0028532/step Wall: 5779.84, 0.0028532/step, 2.38432 hours remaining, 206.789062 MB of memory in use. ENERGY: 1991600 770.8320 2089.4416 1993.3793 115.0015 -206389.6313 17713.4649 0.0000 0.0000 34158.3633 -149549.1487 298.3135 -183707.5120 -149452.8045 298.4650 -134.4184 -101.1929 558534.0163 2.5049 2.5151 PRESSURE: 1991800 68.3565 97.1189 -152.804 97.1206 35.202 -17.4889 -152.805 -17.4897 66.723 GPRESSURE: 1991800 171.092 121.762 -111.74 99.4372 55.9794 -67.7891 -183.347 21.0985 60.4382 PRESSAVG: 1991800 20.4112 -12.5008 14.8924 -12.5009 7.66036 1.49612 14.8924 1.49609 -55.5499 GPRESSAVG: 1991800 19.9712 -14.692 16.3508 -11.2706 8.97454 0.893804 16.0901 1.92249 -56.0335 TIMING: 1991800 CPU: 5780.41, 0.00285556/step Wall: 5780.41, 0.00285556/step, 2.38614 hours remaining, 206.789062 MB of memory in use. ENERGY: 1991800 757.0682 2124.8854 1959.5658 122.7010 -206515.0540 18041.4963 0.0000 0.0000 34015.2018 -149494.1354 297.0632 -183509.3372 -149399.0581 298.3347 56.7605 95.8365 559118.4394 -9.1595 -9.0292 PRESSURE: 1992000 -215.382 -95.0394 34.7099 -95.0403 -91.1575 68.383 34.7103 68.3828 -349.701 GPRESSURE: 1992000 -202.524 -65.484 78.7458 -195.787 -24.9347 87.1691 61.6164 75.3065 -333.424 PRESSAVG: 1992000 23.6811 -39.6521 39.6724 -39.652 35.4316 -5.03657 39.6725 -5.03647 -82.4878 GPRESSAVG: 1992000 23.8408 -38.5304 37.0129 -42.7927 34.5682 -4.95863 41.6348 -5.33146 -81.8765 TIMING: 1992000 CPU: 5780.99, 0.00288615/step Wall: 5780.99, 0.00288615/step, 2.41154 hours remaining, 206.789062 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: 1992000 752.0364 2120.3412 1983.6664 116.7797 -206097.2198 17636.0325 0.0000 0.0000 34105.4148 -149382.9489 297.8511 -183488.3637 -149289.5648 298.1609 -218.7471 -186.9609 559060.0797 -7.7917 -7.8225 PRESSURE: 1992200 -140.564 -84.9632 126.118 -84.962 -115.749 25.5922 126.118 25.5914 -63.249 GPRESSURE: 1992200 -162.504 -7.01117 74.7879 -113.465 -65.9731 68.7213 81.6161 45.0364 18.7052 PRESSAVG: 1992200 -59.4372 -35.0998 -32.9794 -35.0999 83.7763 16.6949 -32.9794 16.6948 -59.4827 GPRESSAVG: 1992200 -60.2856 -34.0291 -30.7862 -34.893 84.7194 15.5627 -35.4503 18.5379 -58.9993 TIMING: 1992200 CPU: 5781.57, 0.00288418/step Wall: 5781.57, 0.00288418/step, 2.40973 hours remaining, 206.789062 MB of memory in use. ENERGY: 1992200 703.5062 2076.6465 1952.3055 125.5681 -205856.3055 17591.4447 0.0000 0.0000 33940.3411 -149466.4934 296.4094 -183406.8345 -149365.5266 298.6086 -106.5206 -69.9239 558159.3587 -11.7145 -11.5219 LDB: ============= START OF LOAD BALANCING ============== 5785.03 LDB: ============== END OF LOAD BALANCING =============== 5785.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5785.03 LDB: ============= START OF LOAD BALANCING ============== 5785.32 LDB: Largest compute 4820 load 0.030068 is 25.5% of average load 0.117804 LDB: Average compute 0.001704 is 1.4% of average load 0.117804 LDB: TIME 5785.32 LOAD: AVG 0.117804 MAX 0.179081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.07 MB LDB: TIME 5785.32 LOAD: AVG 0.117804 MAX 0.179081 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.273 MB LDB: TIME 5785.32 LOAD: AVG 0.117804 MAX 0.179081 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.273 MB LDB: ============== END OF LOAD BALANCING =============== 5785.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5785.33 PRESSURE: 1992400 -211.008 -77.2326 -52.55 -77.2315 -189.217 41.1477 -52.5496 41.1497 3.94828 GPRESSURE: 1992400 -217.609 -115.464 -29.9943 -46.7769 -148.85 89.6121 -12.159 33.6891 57.9231 PRESSAVG: 1992400 17.0678 -8.68211 43.9931 -8.68207 36.5313 -46.1732 43.9931 -46.1731 -75.1367 GPRESSAVG: 1992400 16.762 -9.45821 42.6161 -6.63736 37.1161 -45.9097 44.3434 -47.0457 -75.7831 TIMING: 1992400 CPU: 5782.16, 0.00294604/step Wall: 5782.16, 0.00294604/step, 2.46126 hours remaining, 207.125000 MB of memory in use. ENERGY: 1992400 739.7286 2071.6562 1950.2245 105.5037 -206170.2212 17717.1774 0.0000 0.0000 34153.1164 -149432.8144 298.2677 -183585.9308 -149345.3566 298.2425 -132.0921 -102.8452 557208.9535 -7.1792 -7.3017 PRESSURE: 1992600 -45.2693 -73.9273 39.0427 -73.9267 -11.7211 -127.868 39.0429 -127.869 105.962 GPRESSURE: 1992600 45.5029 -10.1554 22.1683 -49.281 16.348 -82.8338 3.04259 -110.145 89.1698 PRESSAVG: 1992600 8.54612 -48.8676 33.5675 -48.8675 22.2344 -4.45728 33.5675 -4.45729 -33.2129 GPRESSAVG: 1992600 8.74493 -48.9289 34.2304 -50.2016 21.1049 -3.82504 34.6905 -3.8249 -31.982 TIMING: 1992600 CPU: 5782.73, 0.00287774/step Wall: 5782.73, 0.00287774/step, 2.40403 hours remaining, 207.195312 MB of memory in use. ENERGY: 1992600 720.1981 2084.6679 1960.5035 109.9422 -206373.4075 17976.2359 0.0000 0.0000 34218.2614 -149303.5984 298.8366 -183521.8598 -149208.4231 298.4271 16.3237 50.3402 558728.9260 -0.8108 -0.7107 PRESSURE: 1992800 -159.506 -50.1374 61.6828 -50.1379 -22.4401 134.458 61.6842 134.458 -122.145 GPRESSURE: 1992800 -149.923 -22.6844 61.94 -28.9241 -6.36936 117.542 77.4927 148.954 -34.1151 PRESSAVG: 1992800 -23.8575 7.70165 48.8435 7.70162 70.8428 -3.68943 48.8435 -3.68944 -29.6297 GPRESSAVG: 1992800 -23.4725 6.06223 47.742 9.45393 69.9005 -5.5752 49.1465 -3.58761 -29.515 TIMING: 1992800 CPU: 5783.31, 0.0028808/step Wall: 5783.31, 0.0028808/step, 2.40643 hours remaining, 207.195312 MB of memory in use. ENERGY: 1992800 763.9790 2070.9289 1981.6004 107.5818 -206219.5558 17715.5637 0.0000 0.0000 33940.8166 -149639.0855 296.4136 -183579.9021 -149551.3190 298.4903 -101.3638 -63.4692 557551.7799 5.7852 5.6377 PRESSURE: 1993000 211.972 0.0138841 -2.73223 0.0149098 -155.03 -179.59 -2.73317 -179.594 239.496 GPRESSURE: 1993000 261.745 107.719 11.3042 -1.90766 -77.3217 -189.309 -66.7607 -110.793 213.438 PRESSAVG: 1993000 -8.67126 -4.14361 2.82101 -4.14358 -8.57255 -63.5504 2.82102 -63.5505 38.786 GPRESSAVG: 1993000 -9.37358 -3.73462 5.75044 -6.08546 -7.8628 -62.5354 0.657536 -62.7697 38.9012 TIMING: 1993000 CPU: 5783.88, 0.00286357/step Wall: 5783.88, 0.00286357/step, 2.39188 hours remaining, 207.195312 MB of memory in use. ENERGY: 1993000 732.0923 2089.1454 1934.8192 123.5290 -206796.3064 18074.8411 0.0000 0.0000 34173.3706 -149668.5088 298.4445 -183841.8794 -149567.3011 297.4807 98.8127 132.6205 556105.3804 7.1807 7.2216 PRESSURE: 1993200 -108.349 -74.5139 141.41 -74.5139 121.353 -222.391 141.411 -222.391 229.133 GPRESSURE: 1993200 -104.692 -56.7124 116.983 -111.18 160.021 -170.131 140.185 -205.143 307.368 PRESSAVG: 1993200 -33.2007 36.6775 -0.0635031 36.6775 16.3479 -53.7272 -0.063544 -53.7273 21.1071 GPRESSAVG: 1993200 -32.5001 37.1492 -2.61966 37.239 16.2779 -53.2286 0.493758 -57.1968 21.1044 TIMING: 1993200 CPU: 5784.45, 0.00286474/step Wall: 5784.45, 0.00286474/step, 2.3927 hours remaining, 207.195312 MB of memory in use. ENERGY: 1993200 735.1917 2103.9453 1925.9912 111.0745 -206446.9251 17892.0222 0.0000 0.0000 34001.9830 -149676.7172 296.9478 -183678.7002 -149577.8705 297.6823 80.7120 120.8988 556764.0352 1.4181 1.6274 PRESSURE: 1993400 58.7496 123.311 221.455 123.311 165.22 -185.016 221.454 -185.017 -98.6128 GPRESSURE: 1993400 69.2819 156.296 231.249 120.537 207.069 -163.217 159.81 -127.737 -58.2991 PRESSAVG: 1993400 -43.4475 -32.3706 -16.3338 -32.3706 1.89806 -26.2005 -16.3338 -26.2005 48.4053 GPRESSAVG: 1993400 -43.1081 -34.8016 -15.8213 -31.2369 1.40759 -25.4608 -17.5697 -24.819 48.8362 TIMING: 1993400 CPU: 5785.03, 0.0028764/step Wall: 5785.03, 0.0028764/step, 2.40227 hours remaining, 207.195312 MB of memory in use. ENERGY: 1993400 714.1300 2064.2983 1954.0279 114.6802 -206788.5135 18001.3519 0.0000 0.0000 34264.8175 -149675.2076 299.2432 -183940.0251 -149570.4151 297.6782 41.7854 72.6841 557650.5029 2.2853 2.3786 PRESSURE: 1993600 333.571 -49.3984 -37.4149 -49.399 2.99186 31.0096 -37.4149 31.0097 239.749 GPRESSURE: 1993600 357.323 -153.372 -11.1098 -28.2154 32.5086 17.5039 -30.8627 73.2311 273.57 PRESSAVG: 1993600 21.9167 -24.3491 75.2775 -24.3491 6.43949 -71.5262 75.2775 -71.5261 15.5181 GPRESSAVG: 1993600 24.0391 -22.9803 77.7082 -25.8173 5.97211 -73.6208 76.7682 -71.1546 13.8844 TIMING: 1993600 CPU: 5785.6, 0.00287698/step Wall: 5785.6, 0.00287698/step, 2.4026 hours remaining, 207.195312 MB of memory in use. ENERGY: 1993600 707.1240 2044.3754 1963.2001 99.4281 -206477.4711 18051.2428 0.0000 0.0000 34024.6035 -149587.4971 297.1453 -183612.1006 -149488.6874 297.7533 192.1039 221.1338 556683.1694 14.6248 14.6319 PRESSURE: 1993800 -148.401 -181.013 -70.2937 -181.013 -144.301 -50.64 -70.294 -50.6415 -310.311 GPRESSURE: 1993800 -119.705 -224.273 -23.0924 -141.314 -119.998 -84.7772 -57.4108 -6.85269 -244.671 PRESSAVG: 1993800 -52.1941 -7.11029 85.7912 -7.11047 51.9831 -48.2941 85.7912 -48.2942 24.0204 GPRESSAVG: 1993800 -53.7378 -5.61516 82.9849 -5.53772 53.4743 -47.1023 86.4402 -49.5081 24.1126 TIMING: 1993800 CPU: 5786.18, 0.00286241/step Wall: 5786.18, 0.00286241/step, 2.39027 hours remaining, 207.195312 MB of memory in use. ENERGY: 1993800 751.8973 2045.4220 1962.9970 102.8565 -206307.3730 17699.6830 0.0000 0.0000 34208.1627 -149536.3546 298.7484 -183744.5173 -149442.6269 297.4182 -201.0044 -161.4580 558536.7965 7.9364 7.9497 PRESSURE: 1994000 -124.131 -30.0275 155.753 -30.0288 97.7685 -7.09057 155.751 -7.08953 99.1614 GPRESSURE: 1994000 -68.3978 -12.5452 212.834 -28.7392 132.083 -32.2434 203.118 -16.6962 96.4119 PRESSAVG: 1994000 -38.5738 -70.131 1.59478 -70.1309 17.2723 -26.0908 1.59483 -26.0908 12.6026 GPRESSAVG: 1994000 -39.9348 -69.976 2.71247 -72.8253 17.7532 -27.7678 0.980291 -25.5791 13.3838 TIMING: 1994000 CPU: 5786.75, 0.00286375/step Wall: 5786.75, 0.00286375/step, 2.39123 hours remaining, 207.195312 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: 1994000 761.9794 2083.3647 1961.5000 107.2660 -206476.9212 17924.4950 0.0000 0.0000 34072.9265 -149565.3896 297.5673 -183638.3161 -149468.8465 297.7781 24.2663 53.3656 557453.0839 -2.8996 -2.9326 PRESSURE: 1994200 -70.8673 82.3847 145.005 82.3857 -245.154 -131.093 145.005 -131.093 -158.39 GPRESSURE: 1994200 -41.8599 82.7646 137.488 138.957 -202.118 -79.4704 125.069 -76.6681 -130.593 PRESSAVG: 1994200 -50.8528 -27.8722 -9.00425 -27.8722 4.91242 2.83875 -9.00428 2.83885 11.0948 GPRESSAVG: 1994200 -49.1911 -30.8873 -7.88892 -25.4897 3.92685 0.690106 -9.81985 2.93121 10.6841 TIMING: 1994200 CPU: 5787.33, 0.00288321/step Wall: 5787.33, 0.00288321/step, 2.40732 hours remaining, 207.195312 MB of memory in use. ENERGY: 1994200 765.4110 2080.9007 1975.2415 121.6325 -206324.7869 17755.7969 0.0000 0.0000 34170.4431 -149455.3612 298.4190 -183625.8043 -149362.5742 298.7770 -158.1369 -124.8571 558579.9104 -11.6152 -11.5267 PRESSURE: 1994400 320.157 146.747 240.992 146.745 260.343 118.786 240.991 118.785 329.437 GPRESSURE: 1994400 330.56 167.24 108.952 112.129 294.269 29.7456 262.794 235.309 378.837 PRESSAVG: 1994400 -37.4976 23.4529 -5.29333 23.4527 18.7546 31.2791 -5.29329 31.279 -38.7381 GPRESSAVG: 1994400 -40.3019 25.6687 -8.08275 20.9273 19.8179 34.1245 -4.58098 31.6442 -37.0092 TIMING: 1994400 CPU: 5787.9, 0.00288106/step Wall: 5787.9, 0.00288106/step, 2.40537 hours remaining, 207.195312 MB of memory in use. ENERGY: 1994400 734.3242 2152.8464 1982.1725 127.9213 -207052.8846 18414.7927 0.0000 0.0000 34273.4128 -149367.4147 299.3182 -183640.8275 -149273.3450 298.1293 303.3121 334.5553 557554.6554 -19.1604 -19.1644 PRESSURE: 1994600 -361.898 0.0865191 75.7906 0.0858541 -216.125 67.3438 75.7907 67.3431 -70.8922 GPRESSURE: 1994600 -278.891 97.0127 37.7286 -14.5883 -144.635 41.9202 99.9287 73.7383 -113.876 PRESSAVG: 1994600 2.8958 -1.26972 -21.8962 -1.26984 11.268 39.624 -21.896 39.624 3.23098 GPRESSAVG: 1994600 5.31119 -3.12282 -20.3024 1.17529 9.7106 38.5707 -20.558 41.0638 2.38331 TIMING: 1994600 CPU: 5788.48, 0.00286781/step Wall: 5788.48, 0.00286781/step, 2.39414 hours remaining, 207.195312 MB of memory in use. ENERGY: 1994600 753.9459 2051.2126 2000.2968 115.0580 -206091.4235 17627.4260 0.0000 0.0000 34214.4875 -149328.9967 298.8036 -183543.4842 -149237.2481 297.6393 -216.3051 -179.1339 558960.7291 5.7983 5.8017 PRESSURE: 1994800 28.7105 42.2066 -128.899 42.2067 -184.941 69.6199 -128.899 69.6199 -175.011 GPRESSURE: 1994800 78.8077 -36.0383 -138.031 87.394 -153.501 43.4205 -91.6304 163.916 -160.584 PRESSAVG: 1994800 -9.71755 -10.4715 -4.11113 -10.4714 55.8666 11.3804 -4.11115 11.3805 -14.9792 GPRESSAVG: 1994800 -9.59489 -9.79624 -1.84383 -11.6232 54.7843 11.1952 -5.76811 11.8305 -14.7411 TIMING: 1994800 CPU: 5789.05, 0.00286595/step Wall: 5789.05, 0.00286594/step, 2.39243 hours remaining, 207.195312 MB of memory in use. ENERGY: 1994800 743.1525 2079.1648 1970.2414 110.2828 -206138.8751 17584.6049 0.0000 0.0000 34297.3046 -149354.1241 299.5269 -183651.4286 -149256.8134 298.6494 -110.4137 -78.4257 556813.8437 10.3900 10.1495 PRESSURE: 1995000 -201.312 -17.1806 54.123 -17.1785 -135.043 -148.79 54.1224 -148.792 63.8816 GPRESSURE: 1995000 -129.474 -106.623 50.8148 -17.9399 -134.934 -126.085 31.8223 -201.62 96.3429 PRESSAVG: 1995000 17.7528 -39.9154 4.38405 -39.9154 -42.971 -34.7402 4.38411 -34.7403 20.6998 GPRESSAVG: 1995000 17.2283 -39.5907 3.35189 -41.399 -41.3468 -35.5863 5.50296 -35.555 19.7925 TIMING: 1995000 CPU: 5789.63, 0.00289312/step Wall: 5789.63, 0.00289312/step, 2.41495 hours remaining, 207.195312 MB of memory in use. ENERGY: 1995000 734.1086 2078.1361 1982.5739 119.9803 -206139.1049 17677.2939 0.0000 0.0000 34313.9185 -149233.0936 299.6720 -183547.0121 -149124.3026 298.8481 -90.8244 -56.0217 557849.8698 -1.5061 -1.4420 PRESSURE: 1995200 188.336 -94.5421 -8.41356 -94.5426 -15.3893 -67.0465 -8.41356 -67.0463 12.1558 GPRESSURE: 1995200 172.817 -117.856 -0.604314 -28.7198 77.0826 -88.318 -54.473 57.8614 37.8601 PRESSAVG: 1995200 -19.9446 -28.5738 28.1992 -28.5737 81.5876 -29.151 28.1992 -29.1509 -66.3606 GPRESSAVG: 1995200 -20.0544 -29.6699 26.5329 -25.1804 81.6366 -27.6886 27.5964 -31.4131 -66.5538 TIMING: 1995200 CPU: 5790.2, 0.00287919/step Wall: 5790.2, 0.00287919/step, 2.40316 hours remaining, 207.195312 MB of memory in use. ENERGY: 1995200 731.8762 2066.8978 1966.3477 117.2229 -206516.5701 17962.1903 0.0000 0.0000 34378.7303 -149293.3049 300.2380 -183672.0353 -149190.0555 299.3191 61.7009 95.9197 555892.3797 -1.5726 -1.6572 PRESSURE: 1995400 -8.06207 0.116605 -39.4316 0.115317 -149.163 -9.15256 -39.4313 -9.15202 62.6502 GPRESSURE: 1995400 20.8745 -60.5143 -76.3878 116.265 -160.133 -24.0235 45.6622 -22.3926 151.766 PRESSAVG: 1995400 63.7561 -11.0582 -21.8676 -11.0582 -40.2734 10.6572 -21.8677 10.6571 -11.3799 GPRESSAVG: 1995400 64.7413 -8.80142 -19.0829 -12.6821 -41.4928 9.64793 -21.6805 12.0432 -11.3177 TIMING: 1995400 CPU: 5790.78, 0.00288031/step Wall: 5790.78, 0.00288031/step, 2.40394 hours remaining, 207.195312 MB of memory in use. ENERGY: 1995400 724.8521 2119.5788 1964.6656 120.4891 -206276.1085 17772.3099 0.0000 0.0000 34331.4366 -149242.7763 299.8250 -183574.2129 -149144.4333 299.3558 -31.5251 4.1690 556458.9045 4.0343 3.9769 PRESSURE: 1995600 202.616 76.4375 -0.709008 76.4369 -134.533 14.6159 -0.70918 14.6159 -134.771 GPRESSURE: 1995600 217.947 56.3473 -26.8422 56.9214 -82.4737 51.0832 -23.9627 28.0593 -110.405 PRESSAVG: 1995600 76.7631 23.7089 -26.9892 23.7087 -80.1618 7.00824 -26.9891 7.00822 -38.0712 GPRESSAVG: 1995600 75.5351 23.7848 -29.2894 22.424 -79.5849 8.38787 -25.888 7.46612 -37.4563 TIMING: 1995600 CPU: 5791.35, 0.00287307/step Wall: 5791.35, 0.00287307/step, 2.39773 hours remaining, 207.195312 MB of memory in use. ENERGY: 1995600 732.2913 2114.5166 1994.9005 103.7190 -206068.7634 17676.6491 0.0000 0.0000 34270.2644 -149176.4225 299.2907 -183446.6870 -149077.8792 298.9689 -22.2292 8.3560 557118.6837 -13.8233 -13.8354 PRESSURE: 1995800 -54.5962 55.2808 -122.626 55.2805 189.06 -65.1229 -122.628 -65.1232 -258.331 GPRESSURE: 1995800 13.3627 54.6347 -114.679 28.3655 185.596 -83.1695 -191.733 -13.3522 -242.033 PRESSAVG: 1995800 14.8209 7.80885 -31.9516 7.80886 13.2688 -16.4908 -31.9517 -16.4908 -12.8014 GPRESSAVG: 1995800 15.778 6.58145 -31.9938 8.12566 12.4219 -18.344 -31.1497 -17.4125 -12.5404 TIMING: 1995800 CPU: 5791.93, 0.00288057/step Wall: 5791.93, 0.00288057/step, 2.40384 hours remaining, 207.195312 MB of memory in use. ENERGY: 1995800 714.0298 2118.9782 1951.3718 115.7912 -206158.0987 17842.9237 0.0000 0.0000 34247.4464 -149167.5575 299.0915 -183415.0039 -149074.9482 298.5690 -41.2891 -14.3584 558343.4998 5.0961 5.2198 PRESSURE: 1996000 -108.17 66.5168 103.785 66.5159 -134.449 46.0631 103.784 46.0637 -366.991 GPRESSURE: 1996000 -88.3963 123.543 92.6798 -32.3287 -71.9617 76.4794 86.9702 86.4268 -333.094 PRESSAVG: 1996000 40.1098 -4.38669 -51.8669 -4.38671 16.0767 -24.4486 -51.8669 -24.4485 -16.7322 GPRESSAVG: 1996000 39.8014 -2.98558 -48.3237 -5.49614 17.9189 -21.798 -53.9459 -24.7518 -18.5209 TIMING: 1996000 CPU: 5792.5, 0.00287441/step Wall: 5792.5, 0.00287442/step, 2.39854 hours remaining, 207.195312 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: 1996000 748.1336 2135.9285 1922.8422 123.2091 -205689.3224 17493.2650 0.0000 0.0000 34193.7582 -149072.1857 298.6226 -183265.9439 -148972.8400 299.2565 -203.2034 -164.4840 558904.0589 13.1515 13.0665 PRESSURE: 1996200 124.301 -15.6271 -76.4043 -15.6281 -202.016 -126.081 -76.4037 -126.082 -65.0771 GPRESSURE: 1996200 130.423 -39.7634 -99.5038 29.9672 -155.638 -143.471 -47.3046 -180.876 -7.75259 PRESSAVG: 1996200 30.4345 24.1964 7.49565 24.1964 -6.13945 -38.5117 7.49555 -38.5117 -39.34 GPRESSAVG: 1996200 30.1902 22.9007 5.37283 26.356 -8.54966 -41.3957 8.82899 -37.6541 -36.4968 TIMING: 1996200 CPU: 5793.08, 0.00286671/step Wall: 5793.08, 0.00286671/step, 2.39195 hours remaining, 207.195312 MB of memory in use. ENERGY: 1996200 734.7181 2084.5978 1983.7107 117.5802 -206085.1033 17700.6786 0.0000 0.0000 34290.0549 -149173.7630 299.4636 -183463.8180 -149079.2757 300.2007 -47.5974 -10.9893 556961.5971 -5.0150 -4.9521 LDB: ============= START OF LOAD BALANCING ============== 5796.54 LDB: ============== END OF LOAD BALANCING =============== 5796.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5796.54 LDB: ============= START OF LOAD BALANCING ============== 5796.83 LDB: Largest compute 4820 load 0.030249 is 25.7% of average load 0.117743 LDB: Average compute 0.001708 is 1.5% of average load 0.117743 LDB: TIME 5796.84 LOAD: AVG 0.117743 MAX 0.178488 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.617 MB LDB: TIME 5796.84 LOAD: AVG 0.117743 MAX 0.178488 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: TIME 5796.84 LOAD: AVG 0.117743 MAX 0.178488 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5796.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5796.84 PRESSURE: 1996400 220.595 82.6745 136.644 82.6731 -210.787 153.053 136.645 153.054 60.4717 GPRESSURE: 1996400 227.511 124.147 168.648 4.41724 -167.294 54.3698 53.954 203.946 106.134 PRESSAVG: 1996400 47.5815 20.836 16.3193 20.8361 -10.9814 33.786 16.3193 33.7861 -32.2678 GPRESSAVG: 1996400 49.3058 22.0551 14.8151 19.2035 -10.2712 35.2577 16.1322 33.3617 -34.9317 TIMING: 1996400 CPU: 5793.67, 0.00294314/step Wall: 5793.67, 0.00294314/step, 2.45556 hours remaining, 206.320312 MB of memory in use. ENERGY: 1996400 726.7707 2136.3367 1950.1206 120.3483 -206635.1166 17991.0244 0.0000 0.0000 34520.2319 -149190.2839 301.4738 -183710.5158 -149091.2316 299.4443 23.4265 55.4504 556631.8527 1.4441 1.3677 PRESSURE: 1996600 -135.014 81.9077 -78.0542 81.9077 16.003 36.9651 -78.0532 36.9663 84.8618 GPRESSURE: 1996600 -108.412 54.3561 -55.5937 147.53 71.4511 -70.1343 -93.0706 108.393 105.813 PRESSAVG: 1996600 -22.7434 -55.0798 65.5366 -55.0798 38.2493 32.5047 65.5366 32.5046 -1.89376 GPRESSAVG: 1996600 -23.9427 -54.7858 66.9866 -54.3197 38.9289 33.1116 63.2502 31.8336 -0.928359 TIMING: 1996600 CPU: 5794.24, 0.00288643/step Wall: 5794.24, 0.00288643/step, 2.40808 hours remaining, 206.523438 MB of memory in use. ENERGY: 1996600 690.7425 2053.0246 1958.4673 124.8407 -206149.9211 17830.0783 0.0000 0.0000 34268.1522 -149224.6155 299.2723 -183492.7677 -149134.8744 299.9549 -11.3831 22.9509 558643.1662 4.5374 4.6859 PRESSURE: 1996800 -1.96654 301.042 121.849 301.042 -305.831 111.491 121.849 111.492 53.7873 GPRESSURE: 1996800 16.1896 328.768 48.9066 198.374 -249.469 65.7591 171.87 132.707 87.9861 PRESSAVG: 1996800 13.652 -18.236 37.539 -18.236 19.597 -10.9055 37.5389 -10.9056 -31.6195 GPRESSAVG: 1996800 14.762 -20.8501 36.2895 -17.9502 19.1833 -11.0327 39.7599 -9.91264 -32.1576 TIMING: 1996800 CPU: 5794.82, 0.00288867/step Wall: 5794.82, 0.00288867/step, 2.40979 hours remaining, 206.523438 MB of memory in use. ENERGY: 1996800 758.0633 2110.0713 1975.7412 124.2120 -206228.3495 17849.7704 0.0000 0.0000 34226.7854 -149183.7060 298.9110 -183410.4914 -149087.1623 299.4583 -84.6702 -48.4312 559393.2883 0.5432 0.5959 PRESSURE: 1997000 268.273 30.7146 -38.0845 30.716 183.764 26.7441 -38.0853 26.7434 110.112 GPRESSURE: 1997000 253.225 -53.5324 -92.3407 97.0198 244.48 22.1621 1.05433 -72.1401 161.015 PRESSAVG: 1997000 -42.098 -33.2637 34.7145 -33.2637 -19.6985 -16.0821 34.7145 -16.082 36.8599 GPRESSAVG: 1997000 -42.5513 -32.7772 32.5918 -31.6756 -18.8393 -17.5707 35.7926 -16.5358 36.5455 TIMING: 1997000 CPU: 5795.4, 0.00288508/step Wall: 5795.4, 0.00288508/step, 2.40663 hours remaining, 206.523438 MB of memory in use. ENERGY: 1997000 724.8854 2054.0339 1965.6321 110.5746 -206388.6722 18049.4918 0.0000 0.0000 34303.8415 -149180.2129 299.5840 -183484.0544 -149085.1649 298.9574 187.3829 219.5733 558107.0843 -8.3122 -8.2817 PRESSURE: 1997200 -164.865 7.85339 -34.7168 7.85382 83.3517 -238.069 -34.7166 -238.069 46.606 GPRESSURE: 1997200 -156.157 -69.9889 -106.033 93.4163 93.7795 -150.934 -47.1807 -265.178 121.411 PRESSAVG: 1997200 -11.7912 -33.1491 10.4743 -33.1491 -25.8937 -89.383 10.4744 -89.3829 21.2411 GPRESSAVG: 1997200 -12.164 -31.0628 12.4117 -35.8304 -26.1947 -85.8588 9.25484 -88.3729 22.7427 TIMING: 1997200 CPU: 5795.97, 0.00286418/step Wall: 5795.97, 0.00286418/step, 2.38905 hours remaining, 206.523438 MB of memory in use. ENERGY: 1997200 715.9258 2138.6270 1971.1856 124.8664 -206230.3676 17886.1105 0.0000 0.0000 34158.4681 -149235.1843 298.3144 -183393.6524 -149141.7885 298.9071 -11.6358 19.6778 558918.8558 -5.4813 -5.2053 PRESSURE: 1997400 -30.1323 94.7777 -44.2291 94.7773 -97.5815 26.0796 -44.2296 26.0794 266.625 GPRESSURE: 1997400 36.4706 140.979 -51.9742 42.4003 -64.613 -24.3702 -48.5181 116.144 257.716 PRESSAVG: 1997400 -37.8112 -16.0763 6.02634 -16.0764 -11.1597 -9.57487 6.02645 -9.5749 26.7604 GPRESSAVG: 1997400 -38.0209 -18.0819 6.06305 -14.1761 -9.93166 -11.6376 5.90718 -10.5856 26.0502 TIMING: 1997400 CPU: 5796.55, 0.00287189/step Wall: 5796.55, 0.00287189/step, 2.39531 hours remaining, 206.523438 MB of memory in use. ENERGY: 1997400 700.5766 2077.4768 1959.5544 120.1317 -206538.1380 17862.7886 0.0000 0.0000 34416.9147 -149400.6952 300.5715 -183817.6099 -149303.5004 298.4139 46.3038 76.5246 558648.3764 -7.4035 -7.3008 PRESSURE: 1997600 -327.634 -55.2173 93.4967 -55.2166 -35.1445 120.274 93.4966 120.272 41.0964 GPRESSURE: 1997600 -266.273 -72.8424 128.113 -67.9846 22.6207 16.7855 51.7095 105.388 28.0511 PRESSAVG: 1997600 35.4453 -9.758 -23.7448 -9.75803 -57.5113 -37.8779 -23.7448 -37.8777 47.1109 GPRESSAVG: 1997600 37.0147 -8.23566 -23.7781 -11.4518 -59.1964 -37.3542 -24.2729 -37.9146 46.834 TIMING: 1997600 CPU: 5797.12, 0.00286215/step Wall: 5797.12, 0.00286215/step, 2.38704 hours remaining, 206.726562 MB of memory in use. ENERGY: 1997600 739.1068 2077.5474 1957.3773 114.2366 -206574.5294 17985.8536 0.0000 0.0000 34086.1028 -149614.3049 297.6824 -183700.4077 -149526.4628 298.6342 -107.2272 -71.8672 558563.2344 8.3483 8.2174 PRESSURE: 1997800 77.7761 52.7847 -226.239 52.7857 -72.0703 -121.929 -226.24 -121.93 -125.877 GPRESSURE: 1997800 108.111 87.0598 -194.23 38.4249 -41.2975 -76.9857 -215.247 -147.358 -85.8972 PRESSAVG: 1997800 -25.6073 -51.0331 -69.9594 -51.033 -10.4863 -57.0571 -69.9593 -57.057 -0.193641 GPRESSAVG: 1997800 -25.4359 -52.9308 -67.0743 -49.1459 -10.5466 -58.4169 -71.5007 -56.6707 -0.0522664 TIMING: 1997800 CPU: 5797.69, 0.00287534/step Wall: 5797.69, 0.00287534/step, 2.39787 hours remaining, 206.726562 MB of memory in use. ENERGY: 1997800 738.4366 2079.1068 1961.2049 122.6932 -206582.8915 17921.6426 0.0000 0.0000 34219.2998 -149540.5076 298.8457 -183759.8074 -149450.4682 298.2828 -40.0570 -6.3614 557670.4384 -12.0957 -12.0116 PRESSURE: 1998000 -151.474 67.2647 -1.13554 67.2655 -75.487 102.552 -1.1347 102.553 -328.011 GPRESSURE: 1998000 -89.4317 7.25868 -30.6109 102.269 -48.9798 136.899 68.1431 52.106 -322.743 PRESSAVG: 1998000 2.02575 -14.2075 -24.8564 -14.2076 -5.79317 23.9955 -24.8564 23.9955 -31.5469 GPRESSAVG: 1998000 1.57203 -12.7361 -28.4073 -15.6801 -5.09652 24.5325 -22.3412 22.1246 -32.2926 TIMING: 1998000 CPU: 5798.27, 0.0028673/step Wall: 5798.27, 0.0028673/step, 2.39101 hours remaining, 206.726562 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: 1998000 724.2046 2085.5375 1949.3169 105.0393 -206286.7266 17714.9578 0.0000 0.0000 34248.2051 -149459.4654 299.0981 -183707.6704 -149358.3001 298.1469 -184.9909 -153.7183 558226.2495 -11.7714 -11.9390 PRESSURE: 1998200 -220.939 -80.0475 15.0854 -80.0461 58.0449 -66.4775 15.0857 -66.4781 -47.7013 GPRESSURE: 1998200 -172.662 -96.0265 -32.2122 -28.8857 111.918 -69.0674 -56.4722 -55.4933 -39.0981 PRESSAVG: 1998200 58.8089 -61.7522 -50.954 -61.7522 -17.3775 -42.0623 -50.954 -42.0623 -29.7573 GPRESSAVG: 1998200 58.6199 -62.2398 -50.3426 -60.1765 -18.4707 -42.4631 -51.8713 -41.0924 -28.6235 TIMING: 1998200 CPU: 5798.84, 0.00287317/step Wall: 5798.84, 0.00287317/step, 2.39574 hours remaining, 206.726562 MB of memory in use. ENERGY: 1998200 726.5940 2099.2745 1962.7834 127.9477 -206300.9764 17758.8550 0.0000 0.0000 33923.2426 -149702.2792 296.2601 -183625.5218 -149602.1724 297.8034 -70.1984 -33.2808 557476.2243 3.8914 3.8419 PRESSURE: 1998400 -1.6718 57.1881 -105.678 57.1874 10.7183 -125.689 -105.679 -125.688 -148.378 GPRESSURE: 1998400 13.5701 180.284 -190.181 23.2759 10.165 -141.304 -58.7249 -91.5161 -70.5059 PRESSAVG: 1998400 6.3627 -78.8134 19.7478 -78.8134 37.4572 21.0884 19.7477 21.0884 18.1032 GPRESSAVG: 1998400 6.30309 -76.0028 19.8303 -81.8469 37.8391 21.4993 20.5015 22.0666 18.256 TIMING: 1998400 CPU: 5799.42, 0.00289338/step Wall: 5799.42, 0.00289338/step, 2.41244 hours remaining, 206.726562 MB of memory in use. ENERGY: 1998400 718.0345 2136.5272 1968.9184 114.6534 -206369.2281 17806.6092 0.0000 0.0000 34096.9132 -149527.5721 297.7768 -183624.4853 -149432.6639 297.4749 -46.4439 -15.5903 558061.6174 20.6410 20.7994 PRESSURE: 1998600 173.395 195.707 69.2368 195.706 60.4466 -108.363 69.2378 -108.365 68.2865 GPRESSURE: 1998600 241.956 149.962 62.4452 187.962 85.687 -36.2112 67.4208 -159.915 66.7855 PRESSAVG: 1998600 57.6712 26.0531 14.571 26.053 -43.7442 -17.0077 14.571 -17.0078 -37.4811 GPRESSAVG: 1998600 57.2839 23.7985 15.871 27.3257 -42.7441 -16.9031 11.9961 -18.1256 -38.1989 TIMING: 1998600 CPU: 5800, 0.00288107/step Wall: 5800, 0.00288107/step, 2.40201 hours remaining, 206.726562 MB of memory in use. ENERGY: 1998600 736.9630 2129.4905 1953.6111 114.8332 -206668.4117 17961.0719 0.0000 0.0000 34326.6783 -149445.7638 299.7834 -183772.4421 -149345.3113 297.6248 100.7095 131.4762 555836.8863 -7.8514 -7.8864 PRESSURE: 1998800 23.0249 79.4333 -75.7127 79.4335 284.033 -19.2485 -75.7124 -19.2483 -101.32 GPRESSURE: 1998800 78.9301 92.1302 -67.177 83.8198 280.338 -46.4496 -127.416 50.0631 -56.486 PRESSAVG: 1998800 18.622 41.8538 -19.9351 41.8538 23.4536 14.3498 -19.9352 14.3497 -14.9288 GPRESSAVG: 1998800 19.4291 41.8691 -21.2937 42.2359 22.5305 16.5226 -17.6535 13.9631 -14.7647 TIMING: 1998800 CPU: 5800.57, 0.00287548/step Wall: 5800.57, 0.00287548/step, 2.39719 hours remaining, 206.726562 MB of memory in use. ENERGY: 1998800 707.7468 2119.4380 1923.9234 109.7329 -206697.3280 18129.6401 0.0000 0.0000 34283.2722 -149423.5745 299.4043 -183706.8467 -149328.9632 298.6064 68.5791 100.9275 557382.7626 9.0489 9.0649 PRESSURE: 1999000 -206.946 -2.13419 26.6068 -2.13399 -117.537 112.48 26.6053 112.479 106.142 GPRESSURE: 1999000 -162.63 -87.4371 10.1428 -105.533 -60.1401 96.6362 56.5003 133.012 101.332 PRESSAVG: 1999000 -1.99462 -20.8987 10.4867 -20.8986 -27.8468 40.2532 10.4867 40.2532 1.78435 GPRESSAVG: 1999000 -1.3634 -20.3973 8.9995 -22.6817 -27.9432 39.5299 13.1716 42.5594 0.668888 TIMING: 1999000 CPU: 5801.15, 0.00288088/step Wall: 5801.15, 0.00288088/step, 2.40153 hours remaining, 206.726562 MB of memory in use. ENERGY: 1999000 733.7890 2080.1642 1937.1972 125.3215 -206238.5259 17793.3841 0.0000 0.0000 34254.4177 -149314.2523 299.1523 -183568.6700 -149223.1301 298.7979 -72.7805 -40.4795 558585.4150 -9.3523 -9.5459 PRESSURE: 1999200 -45.5931 -49.5824 182.483 -49.5812 -231.003 0.21382 182.483 0.214327 -186.032 GPRESSURE: 1999200 -31.798 -113.601 198.375 -0.0696086 -138.028 -36.0617 139.833 -24.8539 -199.971 PRESSAVG: 1999200 -30.6763 -29.9238 42.8458 -29.9239 -54.3054 15.9251 42.8459 15.9251 56.5602 GPRESSAVG: 1999200 -31.5924 -28.6605 47.204 -28.5441 -53.4755 14.8411 39.2691 13.6033 57.5365 TIMING: 1999200 CPU: 5801.73, 0.00289342/step Wall: 5801.73, 0.00289342/step, 2.41182 hours remaining, 206.726562 MB of memory in use. ENERGY: 1999200 716.3455 2122.7790 1960.8955 111.4831 -206032.8373 17700.7868 0.0000 0.0000 34037.0670 -149383.4804 297.2542 -183420.5474 -149290.9725 298.2128 -154.2093 -123.2659 560115.4845 -9.4739 -9.1771 PRESSURE: 1999400 280.32 18.2557 126.268 18.2567 -68.8503 31.5758 126.268 31.5775 -80.5658 GPRESSURE: 1999400 274.538 -53.3576 123.213 12.5393 28.9159 107.856 261.629 -28.3348 -75.3246 PRESSAVG: 1999400 35.4859 -18.4785 24.2525 -18.4785 3.925 58.1959 24.2524 58.1958 -30.5478 GPRESSAVG: 1999400 35.8121 -19.6437 22.0844 -18.3437 3.70897 58.8154 25.7833 58.4449 -30.5015 TIMING: 1999400 CPU: 5802.3, 0.0028813/step Wall: 5802.3, 0.00288131/step, 2.40157 hours remaining, 206.726562 MB of memory in use. ENERGY: 1999400 754.4956 2115.0195 1936.6868 117.3027 -206130.8712 17947.5792 0.0000 0.0000 33959.4268 -149300.3605 296.5761 -183259.7873 -149220.8122 298.6566 43.6345 76.0431 560048.3249 2.9544 3.0065 PRESSURE: 1999600 163.489 90.9927 -78.8135 90.9939 50.1906 -80.3906 -78.8145 -80.39 -4.28016 GPRESSURE: 1999600 198.412 149.947 22.9759 41.557 61.1675 -26.8278 -60.8755 -109.809 27.2992 PRESSAVG: 1999600 -33.3626 -34.0214 -8.74907 -34.0214 13.2849 27.6219 -8.74908 27.6219 -3.10936 GPRESSAVG: 1999600 -34.9889 -34.574 -8.68668 -32.7764 12.9455 25.0045 -9.05715 28.7605 -1.45299 TIMING: 1999600 CPU: 5802.88, 0.00289432/step Wall: 5802.88, 0.00289432/step, 2.41226 hours remaining, 206.726562 MB of memory in use. ENERGY: 1999600 782.5428 2067.3265 1934.4135 111.4851 -206510.9490 18202.7226 0.0000 0.0000 34300.4623 -149111.9962 299.5545 -183412.4585 -149016.1158 298.4944 69.7998 95.6261 559473.6442 -7.7290 -7.8321 PRESSURE: 1999800 -128.37 -2.31739 108.682 -2.31637 -452.387 78.3919 108.681 78.3918 -312.054 GPRESSURE: 1999800 -112.698 -81.4678 194.335 -32.7798 -403.796 84.1956 112.028 47.0031 -279.993 PRESSAVG: 1999800 44.4405 12.7005 -15.5776 12.7004 -0.438835 -11.3592 -15.5777 -11.3592 -3.62996 GPRESSAVG: 1999800 45.5566 13.3959 -16.2334 13.3781 1.16422 -8.43843 -16.9934 -12.0818 -5.99386 TIMING: 1999800 CPU: 5803.46, 0.00287943/step Wall: 5803.46, 0.00287943/step, 2.39968 hours remaining, 206.726562 MB of memory in use. ENERGY: 1999800 750.1459 2129.1163 1944.1262 108.2104 -205805.5161 17607.3188 0.0000 0.0000 34157.1297 -149109.4688 298.3027 -183266.5985 -149009.4245 299.5594 -297.6038 -265.4956 559952.5762 13.4572 13.5757 PRESSURE: 2000000 78.0804 -35.6811 160.695 -35.6798 34.2633 -37.5476 160.694 -37.5487 151.986 GPRESSURE: 2000000 131.008 -57.0011 153.496 -114.37 69.3934 -80.3837 148.288 -47.7672 171.649 PRESSAVG: 2000000 41.5056 -0.585319 39.2794 -0.585296 12.8965 55.5538 39.2794 55.5539 -15.5022 GPRESSAVG: 2000000 41.5162 0.621827 39.0082 -2.83417 12.1907 55.873 40.9911 55.2371 -14.4327 TIMING: 2000000 CPU: 5804.03, 0.00287978/step Wall: 5804.03, 0.00287978/step, 2.39982 hours remaining, 206.726562 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: 2000000 782.5215 2104.0433 1960.0611 115.9555 -206445.6397 18006.1606 0.0000 0.0000 34303.0288 -149173.8688 299.5769 -183476.8976 -149079.5267 298.8936 88.1099 124.0170 558028.0579 12.9666 13.0914 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.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 76.6087 6.20041 -88.4346 6.19985 0.155741 33.8323 -88.4347 33.8327 -1.38379 GPRESSURE: 2000200 106.772 62.7251 -64.5833 32.5434 39.5865 137.981 -121.414 -38.6086 12.7716 PRESSAVG: 2000200 25.8823 -24.7685 16.6589 -24.7687 -33.5897 25.3379 16.6588 25.3379 -10.2545 GPRESSAVG: 2000200 26.4168 -24.3805 18.326 -24.4508 -34.2482 22.7711 15.9058 27.7417 -9.96352 TIMING: 2000200 CPU: 5804.63, 0.00298192/step Wall: 5804.63, 0.00298192/step, 2.48477 hours remaining, 206.726562 MB of memory in use. ENERGY: 2000200 710.4842 2099.2565 1935.0110 109.5350 -206143.8769 17775.1658 0.0000 0.0000 34289.1873 -149225.2370 299.4560 -183514.4243 -149125.8088 299.4271 25.1269 53.0433 557981.5350 -5.9873 -5.9316 LDB: ============= START OF LOAD BALANCING ============== 5808.09 LDB: ============== END OF LOAD BALANCING =============== 5808.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5808.1 LDB: ============= START OF LOAD BALANCING ============== 5808.39 LDB: Largest compute 4820 load 0.029635 is 25.2% of average load 0.117820 LDB: Average compute 0.001712 is 1.5% of average load 0.117820 LDB: TIME 5808.39 LOAD: AVG 0.11782 MAX 0.178043 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.551 MB LDB: TIME 5808.39 LOAD: AVG 0.11782 MAX 0.178043 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: TIME 5808.39 LOAD: AVG 0.11782 MAX 0.178043 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: ============== END OF LOAD BALANCING =============== 5808.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5808.4 PRESSURE: 2000400 139.745 -0.852983 141.172 -0.851313 -29.3271 -59.2273 141.172 -59.2271 -121.436 GPRESSURE: 2000400 143.586 -24.0639 171.27 22.9154 4.87044 -39.6723 141.305 -136.786 -68.6541 PRESSAVG: 2000400 -24.2222 -22.2932 30.1827 -22.2932 82.9761 47.7539 30.1826 47.754 -41.2467 GPRESSAVG: 2000400 -24.4622 -26.2302 31.2052 -21.368 83.0143 48.0371 30.0714 45.2388 -40.7404 TIMING: 2000400 CPU: 5805.22, 0.0029502/step Wall: 5805.22, 0.0029502/step, 2.45817 hours remaining, 205.105469 MB of memory in use. ENERGY: 2000400 735.9591 2051.9733 1950.7686 127.4420 -206202.1154 17923.3933 0.0000 0.0000 34354.9759 -149057.6033 300.0305 -183412.5792 -148957.9620 298.9765 -3.6725 26.6009 559198.7282 5.8357 5.9372 PRESSURE: 2000600 -35.2822 -59.7471 23.646 -59.748 38.0608 -137.281 23.6468 -137.282 14.2679 GPRESSURE: 2000600 5.77389 -41.488 87.7388 -16.1173 126.556 -134.563 -34.7993 -193.451 -35.3568 PRESSAVG: 2000600 48.3572 0.293421 67.3486 0.293443 -42.7666 -44.7465 67.3486 -44.7464 -26.3512 GPRESSAVG: 2000600 49.3218 3.84151 64.7007 -0.206219 -42.8814 -43.6414 67.8017 -46.3453 -27.4035 TIMING: 2000600 CPU: 5805.8, 0.00288837/step Wall: 5805.8, 0.00288837/step, 2.40649 hours remaining, 205.304688 MB of memory in use. ENERGY: 2000600 727.6038 2093.1472 1953.9330 114.7168 -206096.3866 17867.7406 0.0000 0.0000 34309.0728 -149030.1724 299.6297 -183339.2452 -148936.0447 299.4297 5.6822 32.3243 558900.0527 -6.9202 -6.9877 PRESSURE: 2000800 -89.9536 162.286 125.099 162.285 -44.8765 37.3469 125.099 37.3482 47.6154 GPRESSURE: 2000800 -8.10881 185.079 171.964 124.128 -45.4596 58.8207 157.555 57.2188 45.9769 PRESSAVG: 2000800 -16.1154 47.1463 6.5106 47.1463 13.4733 -58.4174 6.51062 -58.4174 -15.3028 GPRESSAVG: 2000800 -17.8625 46.5734 7.18326 46.5136 14.2417 -58.1751 4.80324 -58.6792 -15.2328 TIMING: 2000800 CPU: 5806.37, 0.00288382/step Wall: 5806.37, 0.00288382/step, 2.40254 hours remaining, 205.304688 MB of memory in use. ENERGY: 2000800 758.1303 2077.1899 1986.9277 121.6097 -205967.1270 17617.8220 0.0000 0.0000 34367.0043 -149038.4431 300.1356 -183405.4475 -148942.0155 299.6648 -29.0716 -2.5305 557813.6070 -5.9816 -6.2845 PRESSURE: 2001000 -33.329 45.4731 -30.1718 45.4749 231.121 19.1718 -30.1713 19.1706 -214.946 GPRESSURE: 2001000 -19.4724 17.8952 -12.7682 14.4205 268.096 -32.7468 -13.9151 64.5502 -166.504 PRESSAVG: 2001000 39.6084 13.8353 19.779 13.8353 -11.5105 9.44123 19.779 9.44127 -3.18824 GPRESSAVG: 2001000 40.7255 14.0248 20.9847 13.1258 -12.0848 9.48936 20.0549 11.5407 -3.63168 TIMING: 2001000 CPU: 5806.95, 0.00288224/step Wall: 5806.95, 0.00288224/step, 2.40107 hours remaining, 205.304688 MB of memory in use. ENERGY: 2001000 720.1624 2161.9927 1991.5908 114.9003 -205550.1315 17618.9399 0.0000 0.0000 34093.4343 -148849.1110 297.7464 -182942.5453 -148754.5676 299.7657 -5.7178 27.3733 558673.5978 8.3032 8.3363 PRESSURE: 2001200 -135.346 60.0008 -60.3782 60.0006 165.171 -78.4492 -60.3778 -78.45 -227.445 GPRESSURE: 2001200 -143.558 52.9582 -45.5222 88.0361 226.841 37.2707 -111.86 -114.628 -205.109 PRESSAVG: 2001200 -10.3589 -10.8987 -21.2215 -10.8987 62.5041 -15.5489 -21.2215 -15.5488 -20.5811 GPRESSAVG: 2001200 -11.7767 -11.8485 -22.5622 -10.5413 61.6269 -14.018 -20.2844 -15.7673 -19.6366 TIMING: 2001200 CPU: 5807.53, 0.00287639/step Wall: 5807.53, 0.00287639/step, 2.39603 hours remaining, 205.304688 MB of memory in use. ENERGY: 2001200 742.5020 2045.5982 1952.2265 120.9709 -206111.9374 17859.9211 0.0000 0.0000 34363.9504 -149026.7682 300.1089 -183390.7185 -148927.0369 299.4555 -65.8732 -40.6086 558837.9648 10.5214 10.0712 PRESSURE: 2001400 -318.57 48.0447 -65.4367 48.0438 -365.396 63.2378 -65.437 63.2379 -161.244 GPRESSURE: 2001400 -295.484 58.1183 -121.963 60.0072 -295.824 104.629 -39.5963 -20.0743 -158.499 PRESSAVG: 2001400 -3.73815 7.46118 -17.3709 7.46119 -21.5159 44.4125 -17.3711 44.4126 55.552 GPRESSAVG: 2001400 -2.78054 9.22763 -16.4117 6.59968 -20.9285 43.137 -17.8628 43.5251 54.3967 TIMING: 2001400 CPU: 5808.1, 0.00285546/step Wall: 5808.1, 0.00285546/step, 2.37844 hours remaining, 205.304688 MB of memory in use. ENERGY: 2001400 722.4794 2150.4299 1965.1951 113.6989 -205712.8974 17513.2114 0.0000 0.0000 34115.1937 -149132.6890 297.9365 -183247.8826 -149040.5007 299.4430 -281.7370 -249.9359 560428.2888 10.0993 10.2292 PRESSURE: 2001600 189.845 -188.709 174.388 -188.709 -88.8403 183.582 174.389 183.583 -30.1074 GPRESSURE: 2001600 247.211 -85.0269 158.828 -171.988 -44.4699 85.2434 220.081 239.874 -29.3304 PRESSAVG: 2001600 -25.9347 19.066 13.6328 19.0659 4.11886 70.9557 13.6328 70.9555 34.3944 GPRESSAVG: 2001600 -24.8333 18.0388 10.1781 21.6251 3.96653 70.1251 17.0984 70.3635 33.402 TIMING: 2001600 CPU: 5808.67, 0.00284808/step Wall: 5808.67, 0.00284808/step, 2.37213 hours remaining, 205.304688 MB of memory in use. ENERGY: 2001600 748.6896 2045.5271 1993.1880 106.8452 -205948.6233 17881.6437 0.0000 0.0000 34123.2738 -149049.4557 298.0070 -183172.7295 -148957.1226 298.7677 23.6326 57.8034 557911.1963 4.1929 4.1784 PRESSURE: 2001800 -414.882 -126.809 -80.0545 -126.809 -66.5698 73.3382 -80.0534 73.3369 48.9041 GPRESSURE: 2001800 -311.827 -138.512 -113.306 -102.178 -40.4636 81.0597 -101.917 37.3801 31.4143 PRESSAVG: 2001800 -2.45524 -46.9574 -70.736 -46.9574 60.1188 73.0588 -70.736 73.0588 -43.7835 GPRESSAVG: 2001800 -2.15196 -47.2347 -68.2119 -48.3463 59.903 74.2276 -74.4963 75.2548 -43.5926 TIMING: 2001800 CPU: 5809.24, 0.00285202/step Wall: 5809.24, 0.00285202/step, 2.37526 hours remaining, 205.304688 MB of memory in use. ENERGY: 2001800 759.7312 2045.7943 1939.5439 111.0555 -205973.9265 17723.8646 0.0000 0.0000 34322.5341 -149071.4029 299.7472 -183393.9369 -148975.5141 299.2826 -144.1825 -106.9587 559380.4902 4.6267 4.7194 PRESSURE: 2002000 -263.642 -8.23581 104.945 -8.23587 162.436 1.76966 104.945 1.76935 -17.9143 GPRESSURE: 2002000 -221.748 3.46597 43.5227 44.9477 221.449 9.21823 63.6001 46.5983 -11.8217 PRESSAVG: 2002000 -31.291 11.7991 -17.5031 11.799 40.5656 32.5828 -17.503 32.5828 17.0776 GPRESSAVG: 2002000 -31.8171 12.7434 -16.6357 10.8549 41.2587 31.4862 -17.1683 31.7256 16.9966 TIMING: 2002000 CPU: 5809.81, 0.00287592/step Wall: 5809.81, 0.00287592/step, 2.39501 hours remaining, 205.304688 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: 2002000 741.3975 2078.6851 1959.9851 115.9469 -205809.6457 17733.4409 0.0000 0.0000 34338.4281 -148841.7621 299.8860 -183180.1902 -148741.8475 299.8683 -39.7066 -4.0400 560346.2468 8.7841 8.8127 PRESSURE: 2002200 -147.973 -21.2943 1.75758 -21.2941 -303.122 4.83136 1.75739 4.83007 -137.25 GPRESSURE: 2002200 -166.338 -4.8279 81.7076 19.7095 -246.125 -65.5141 -76.5195 -29.0584 -74.2624 PRESSAVG: 2002200 -71.6553 -5.99003 48.7379 -5.98992 34.8222 -19.7738 48.738 -19.7739 42.6181 GPRESSAVG: 2002200 -71.1337 -5.79166 45.6699 -5.86861 34.0826 -18.8265 50.4295 -19.8594 43.1989 TIMING: 2002200 CPU: 5810.39, 0.00288697/step Wall: 5810.39, 0.00288697/step, 2.40404 hours remaining, 205.304688 MB of memory in use. ENERGY: 2002200 758.4359 2093.4734 1952.8824 108.3717 -205784.6997 17588.7206 0.0000 0.0000 34296.8497 -148985.9660 299.5229 -183282.8157 -148886.7614 299.6615 -196.1149 -162.2417 558920.9356 1.9283 2.0493 PRESSURE: 2002400 106.161 64.579 123.305 64.5797 30.2657 81.056 123.305 81.0564 52.0815 GPRESSURE: 2002400 153.349 100.416 82.8668 107.721 40.6838 100.096 145.936 45.6816 85.494 PRESSAVG: 2002400 -55.205 -14.2774 37.9351 -14.2773 28.6599 -18.4232 37.9352 -18.4233 10.1684 GPRESSAVG: 2002400 -56.0069 -15.1947 40.7295 -12.1098 28.7599 -19.9042 35.6815 -17.7224 10.4293 TIMING: 2002400 CPU: 5810.97, 0.00288135/step Wall: 5810.97, 0.00288135/step, 2.39921 hours remaining, 205.507812 MB of memory in use. ENERGY: 2002400 747.1963 2067.5816 1937.4810 111.8344 -205898.6090 17745.5275 0.0000 0.0000 34163.1821 -149125.8062 298.3556 -183288.9883 -149025.7767 299.0573 62.8362 93.1757 558375.9922 -5.4589 -5.6059 PRESSURE: 2002600 -181.516 -270.946 27.6343 -270.947 184.623 -61.8673 27.6341 -61.8659 -58.5212 GPRESSURE: 2002600 -128.284 -251.801 77.7187 -279.02 134.352 -104.951 -9.97855 -34.5943 27.9826 PRESSAVG: 2002600 -27.1018 9.52744 -6.25853 9.52738 11.373 -27.6132 -6.25852 -27.6133 25.0157 GPRESSAVG: 2002600 -26.3945 9.23914 -9.50033 9.00318 11.1332 -27.9196 -4.01841 -26.7581 24.4126 TIMING: 2002600 CPU: 5811.54, 0.00287739/step Wall: 5811.54, 0.00287739/step, 2.39574 hours remaining, 205.507812 MB of memory in use. ENERGY: 2002600 747.5052 2057.5225 1955.3310 120.6178 -205933.8884 17735.1099 0.0000 0.0000 34063.0773 -149254.7246 297.4813 -183317.8019 -149160.8469 298.7115 -18.4716 11.3500 558258.5897 3.0956 3.0504 PRESSURE: 2002800 -81.5254 -65.894 55.6023 -65.8932 2.3495 -42.0495 55.6022 -42.0508 3.99613 GPRESSURE: 2002800 -37.2241 43.4613 90.4847 -140.618 -0.22256 -55.8816 68.0282 -57.8288 51.4624 PRESSAVG: 2002800 -17.3028 -17.9736 35.9318 -17.9736 -30.5031 9.13583 35.9318 9.13587 91.2904 GPRESSAVG: 2002800 -16.7099 -18.0817 37.3113 -17.8589 -29.6124 12.1254 35.856 6.98898 90.739 TIMING: 2002800 CPU: 5812.12, 0.00287015/step Wall: 5812.12, 0.00287015/step, 2.38956 hours remaining, 205.507812 MB of memory in use. ENERGY: 2002800 748.9808 2097.5203 1922.6194 111.4933 -206638.5786 18056.0460 0.0000 0.0000 34526.7617 -149175.1572 301.5308 -183701.9189 -149072.9462 298.5176 -25.0599 4.6719 559143.6385 14.4948 14.8056 PRESSURE: 2003000 -121.279 -86.0118 -72.025 -86.0113 -144.198 -4.1056 -72.0251 -4.1055 -66.6134 GPRESSURE: 2003000 -136.819 -124.708 -90.94 62.7362 -88.7566 43.0127 -35.4813 -105.236 -4.80248 PRESSAVG: 2003000 29.2782 3.20255 37.5353 3.2025 -19.0654 1.51066 37.5353 1.51065 2.5661 GPRESSAVG: 2003000 27.0451 3.72684 39.8219 7.34033 -18.3035 0.44794 36.2763 0.782167 3.95383 TIMING: 2003000 CPU: 5812.69, 0.00286325/step Wall: 5812.69, 0.00286325/step, 2.38365 hours remaining, 205.507812 MB of memory in use. ENERGY: 2003000 767.8985 2039.1079 1956.8963 112.0970 -206079.0583 17840.8231 0.0000 0.0000 34297.1058 -149065.1297 299.5252 -183362.2355 -148964.0177 299.7565 -110.6968 -76.7926 560139.4019 4.2596 4.2318 PRESSURE: 2003200 -223.401 106.372 27.9788 106.372 1.17638 -24.011 27.979 -24.01 -163.957 GPRESSURE: 2003200 -145.364 96.4084 7.09092 34.4144 -5.21176 16.4901 66.0417 -97.0494 -156.461 PRESSAVG: 2003200 21.3235 11.1662 104.33 11.1661 39.6012 -56.186 104.33 -56.1861 -66.4735 GPRESSAVG: 2003200 21.9061 12.3584 102.42 5.84978 38.9764 -55.1963 105.02 -55.5261 -66.6186 TIMING: 2003200 CPU: 5813.27, 0.00288394/step Wall: 5813.27, 0.00288394/step, 2.40072 hours remaining, 205.507812 MB of memory in use. ENERGY: 2003200 759.5769 2086.5359 1953.9455 117.4519 -205861.0914 17592.3830 0.0000 0.0000 34389.3412 -148961.8570 300.3307 -183351.1982 -148858.9113 300.2933 -128.7273 -102.3456 558272.5622 -1.8496 -1.9120 PRESSURE: 2003400 -262.73 105.913 59.547 105.912 -79.9906 64.7011 59.5475 64.7026 209.472 GPRESSURE: 2003400 -227.571 43.5999 30.5234 131.921 -33.6672 57.0886 86.122 -21.9822 238.665 PRESSAVG: 2003400 -70.3821 56.6477 28.1348 56.6478 37.8377 -28.0589 28.1347 -28.0589 26.7862 GPRESSAVG: 2003400 -69.5377 55.145 29.4882 58.2623 36.2841 -29.3047 27.4773 -27.1663 27.284 TIMING: 2003400 CPU: 5813.84, 0.00288283/step Wall: 5813.84, 0.00288283/step, 2.39964 hours remaining, 205.507812 MB of memory in use. ENERGY: 2003400 747.5079 2087.6335 1965.1187 111.7386 -206020.5239 17749.9940 0.0000 0.0000 34287.9082 -149070.6230 299.4448 -183358.5312 -148970.2271 299.7720 -44.4159 -7.5242 557169.1849 -1.9194 -1.9898 PRESSURE: 2003600 -105.569 74.9343 49.9003 74.9343 -195.725 -61.3873 49.8996 -61.3883 140.544 GPRESSURE: 2003600 -135.103 128.983 97.8519 -23.6223 -101.884 24.0141 86.8589 9.09686 158.816 PRESSAVG: 2003600 -10.7635 17.4574 17.3386 17.4574 20.9417 31.1652 17.3384 31.1652 -34.9428 GPRESSAVG: 2003600 -10.5284 17.5686 15.4299 15.7097 21.7615 32.8973 18.376 31.3624 -35.896 TIMING: 2003600 CPU: 5814.42, 0.0029086/step Wall: 5814.42, 0.0029086/step, 2.42093 hours remaining, 205.507812 MB of memory in use. ENERGY: 2003600 753.6833 2096.9092 1978.4744 136.3871 -206027.4071 17701.4296 0.0000 0.0000 34206.7673 -149153.7561 298.7362 -183360.5234 -149063.6321 299.5318 -53.5832 -26.0568 557514.2936 -8.2549 -8.2209 PRESSURE: 2003800 127.003 59.4017 100.339 59.4031 91.2514 284.691 100.339 284.691 -68.1876 GPRESSURE: 2003800 150.157 78.1781 201.421 -25.4603 110.22 299.167 157.563 244.525 -20.4899 PRESSAVG: 2003800 -25.7009 -12.448 21.4818 -12.448 44.8333 13.0461 21.4818 13.0462 41.7159 GPRESSAVG: 2003800 -25.9918 -12.8695 22.4676 -11.2368 44.0712 10.546 21.0995 13.0821 42.6164 TIMING: 2003800 CPU: 5815, 0.00288524/step Wall: 5815, 0.00288524/step, 2.40132 hours remaining, 205.507812 MB of memory in use. ENERGY: 2003800 742.0910 2064.4986 1967.5332 111.5103 -205998.5941 17827.7555 0.0000 0.0000 34142.0442 -149143.1614 298.1710 -183285.2055 -149044.2640 299.6051 50.0224 79.9625 557697.4548 20.2828 20.2319 PRESSURE: 2004000 -4.93357 165.855 52.6472 165.855 -6.55042 55.272 52.6477 55.2703 -48.6964 GPRESSURE: 2004000 117.659 163.274 17.2951 162.13 -63.3409 -37.7882 82.1493 186.777 -24.4708 PRESSAVG: 2004000 -13.846 22.0536 68.0804 22.0536 -7.38156 44.7932 68.0805 44.7932 32.1985 GPRESSAVG: 2004000 -13.716 24.776 70.8145 21.3487 -7.23594 44.498 65.0528 45.2469 32.2793 TIMING: 2004000 CPU: 5815.58, 0.00288291/step Wall: 5815.58, 0.00288291/step, 2.39923 hours remaining, 205.507812 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: 2004000 719.2255 2066.6111 1961.7859 104.3962 -206126.9021 17777.3385 0.0000 0.0000 34304.5959 -149192.9491 299.5906 -183497.5449 -149098.5624 298.7311 -20.0601 9.9492 557897.6317 3.6570 3.7758 PRESSURE: 2004200 -261.259 -84.9726 -87.8146 -84.9736 -10.8684 171.577 -87.8139 171.576 -156.918 GPRESSURE: 2004200 -202.826 -115.871 -70.0661 -59.3851 27.2041 156.442 -33.0647 187.967 -157.736 PRESSAVG: 2004200 26.8014 -10.6312 4.03754 -10.6312 -4.70609 22.7449 4.03746 22.7448 6.88639 GPRESSAVG: 2004200 26.1865 -12.6229 1.90773 -8.76697 -4.36649 23.9915 5.47431 23.3155 6.54078 TIMING: 2004200 CPU: 5816.15, 0.00288434/step Wall: 5816.15, 0.00288434/step, 2.40026 hours remaining, 205.710938 MB of memory in use. ENERGY: 2004200 762.3426 2050.3576 1970.5477 118.0903 -205868.9229 17603.8818 0.0000 0.0000 34271.4040 -149092.2989 299.3007 -183363.7029 -148994.4160 299.3081 -143.0152 -111.1194 557536.9876 9.6606 9.4536 LDB: ============= START OF LOAD BALANCING ============== 5819.62 LDB: ============== END OF LOAD BALANCING =============== 5819.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5819.62 LDB: ============= START OF LOAD BALANCING ============== 5819.91 LDB: Largest compute 4820 load 0.029616 is 25.1% of average load 0.117771 LDB: Average compute 0.001705 is 1.4% of average load 0.117771 LDB: TIME 5819.91 LOAD: AVG 0.117771 MAX 0.178747 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 5819.91 LOAD: AVG 0.117771 MAX 0.178747 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.367 MB LDB: TIME 5819.91 LOAD: AVG 0.117771 MAX 0.178747 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.367 MB LDB: ============== END OF LOAD BALANCING =============== 5819.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5819.92 PRESSURE: 2004400 -157.852 -71.1523 210.519 -71.1523 -101.635 29.6657 210.519 29.6652 -10.3004 GPRESSURE: 2004400 -93.7645 -83.2748 274.846 -125.807 -80.7784 11.3053 157.262 -21.1303 7.19734 PRESSAVG: 2004400 0.457044 3.8686 39.6899 3.86867 15.908 -54.8981 39.69 -54.8981 -28.6432 GPRESSAVG: 2004400 1.31053 5.32839 36.5791 0.60824 16.0226 -55.1804 42.7839 -54.9894 -29.2658 TIMING: 2004400 CPU: 5816.74, 0.00294927/step Wall: 5816.74, 0.00294927/step, 2.45412 hours remaining, 206.000000 MB of memory in use. ENERGY: 2004400 726.5603 2112.7777 1975.6921 119.6104 -206166.4015 17799.0219 0.0000 0.0000 34181.8502 -149250.8889 298.5186 -183432.7391 -149160.2711 298.9607 -89.9291 -55.7819 558895.0526 -4.0927 -3.9776 PRESSURE: 2004600 124.304 124.499 -94.3363 124.5 112.81 24.3835 -94.3361 24.3825 -221.125 GPRESSURE: 2004600 215.889 65.0362 -148.904 199.944 54.429 -30.0532 17.4385 152.56 -171.721 PRESSAVG: 2004600 6.09642 6.78351 40.0677 6.78356 36.4743 -2.31729 40.0677 -2.31724 16.121 GPRESSAVG: 2004600 7.29031 4.96642 41.2271 8.19534 35.0987 -1.66159 38.2278 -1.89528 15.7703 TIMING: 2004600 CPU: 5817.32, 0.00287523/step Wall: 5817.32, 0.00287523/step, 2.39235 hours remaining, 206.203125 MB of memory in use. ENERGY: 2004600 749.7160 2064.4110 1935.8418 105.1774 -206169.4587 17996.5988 0.0000 0.0000 34239.9240 -149077.7895 299.0258 -183317.7135 -148979.2606 299.6568 5.3296 32.8660 559907.3119 19.5639 19.3864 PRESSURE: 2004800 5.92933 -37.4517 140.352 -37.4526 -89.8937 -5.79563 140.351 -5.79448 -48.4601 GPRESSURE: 2004800 14.3502 11.0857 135.86 11.2627 -18.6175 -4.55845 61.7592 49.1068 -38.3003 PRESSAVG: 2004800 6.66307 48.2137 27.4036 48.2136 -59.782 -2.03183 27.4036 -2.03189 10.7379 GPRESSAVG: 2004800 5.68 49.6053 28.3303 47.4838 -58.7417 -2.39108 26.3639 -2.07116 10.2593 TIMING: 2004800 CPU: 5817.89, 0.00285553/step Wall: 5817.89, 0.00285553/step, 2.3758 hours remaining, 206.242188 MB of memory in use. ENERGY: 2004800 745.0078 2142.1334 1977.6888 111.3042 -206254.2870 17818.9904 0.0000 0.0000 34327.5507 -149131.6117 299.7910 -183459.1624 -149035.0907 299.2557 -44.1415 -14.1892 560455.4905 -14.1270 -14.2675 PRESSURE: 2005000 -109.151 103.185 -2.76715 103.186 -285.487 -145.114 -2.76789 -145.116 110.837 GPRESSURE: 2005000 -68.5754 127.839 -32.162 103.546 -244.346 -140.449 14.1664 -185.152 125.563 PRESSAVG: 2005000 19.8184 16.407 10.2077 16.407 -16.5416 12.4785 10.2077 12.4786 21.183 GPRESSAVG: 2005000 19.7224 16.1923 12.4245 18.1165 -17.2155 13.4353 8.88968 12.6918 22.0281 TIMING: 2005000 CPU: 5818.47, 0.00289128/step Wall: 5818.47, 0.00289128/step, 2.40538 hours remaining, 206.242188 MB of memory in use. ENERGY: 2005000 757.6603 2035.0465 1967.4438 115.1855 -206009.4296 17664.5574 0.0000 0.0000 34418.9043 -149050.6319 300.5889 -183469.5362 -148959.1611 299.4072 -94.6002 -62.4527 557263.9943 8.1533 8.1783 PRESSURE: 2005200 -166.273 16.1847 197.112 16.1853 -191.37 0.831485 197.111 0.831143 -17.6929 GPRESSURE: 2005200 -157.212 106.498 175.607 -64.8992 -151.288 48.2127 188.549 29.1796 27.2848 PRESSAVG: 2005200 -15.9615 48.4778 11.8522 48.4778 -53.2221 2.36385 11.8522 2.364 38.443 GPRESSAVG: 2005200 -16.7142 46.6251 10.4072 46.8541 -52.7188 2.44351 14.5305 2.21625 38.6258 TIMING: 2005200 CPU: 5819.05, 0.0028965/step Wall: 5819.05, 0.0028965/step, 2.40956 hours remaining, 206.242188 MB of memory in use. ENERGY: 2005200 746.9669 2102.2343 1955.3102 124.3291 -205431.3264 17507.2664 0.0000 0.0000 33932.4746 -149062.7449 296.3407 -182995.2194 -148963.8418 299.7183 -125.1118 -93.7383 559837.2922 -10.2469 -10.2691 PRESSURE: 2005400 532.127 -23.2976 81.404 -23.2968 26.5252 11.2675 81.4034 11.2668 80.0041 GPRESSURE: 2005400 611.766 -11.2039 -10.9694 -53.1567 19.4903 -67.7922 105.273 -26.1192 102.954 PRESSAVG: 2005400 -7.4562 33.4185 66.4782 33.4185 -43.0398 -23.2793 66.4783 -23.2794 4.96915 GPRESSAVG: 2005400 -6.96433 35.1205 67.4496 35.091 -43.6078 -25.4814 65.7039 -22.5304 4.67835 TIMING: 2005400 CPU: 5819.63, 0.00288888/step Wall: 5819.63, 0.00288888/step, 2.40306 hours remaining, 206.242188 MB of memory in use. ENERGY: 2005400 710.3967 2090.4794 1991.6699 123.3029 -206225.5507 17898.8836 0.0000 0.0000 34403.5789 -149007.2393 300.4550 -183410.8182 -148911.1008 299.7380 212.8854 244.7370 556815.6995 -15.1756 -15.2979 PRESSURE: 2005600 118.605 -47.8788 -87.8844 -47.8789 176.344 -41.862 -87.8844 -41.8616 -72.0429 GPRESSURE: 2005600 178.911 -84.1982 40.4305 -57.6387 151.301 31.5644 -36.1681 -186.405 -8.15649 PRESSAVG: 2005600 63.0698 9.75963 -7.33351 9.75961 -17.6631 -28.3161 -7.33354 -28.3161 -18.3975 GPRESSAVG: 2005600 62.7051 8.91229 -7.05921 10.7626 -17.7643 -24.9235 -7.24778 -28.8985 -17.7285 TIMING: 2005600 CPU: 5820.2, 0.00288816/step Wall: 5820.2, 0.00288816/step, 2.40231 hours remaining, 206.242188 MB of memory in use. ENERGY: 2005600 743.1988 2074.6864 1999.4430 121.3296 -206223.8288 18000.5155 0.0000 0.0000 34368.1842 -148916.4713 300.1459 -183284.6555 -148834.9790 299.3763 74.3023 107.3518 557457.8711 9.0031 9.0708 PRESSURE: 2005800 -45.1908 -122.942 -12.0375 -122.942 -11.0655 -100.536 -12.037 -100.536 -132.133 GPRESSURE: 2005800 2.84981 -54.1277 -41.4376 -143.886 -19.7924 -68.0326 -107.555 -119.587 -73.0147 PRESSAVG: 2005800 -38.5096 -4.46886 27.4618 -4.46895 24.5341 -22.8 27.4617 -22.7999 -2.91429 GPRESSAVG: 2005800 -38.3565 -3.55939 27.8946 -4.83895 25.3649 -22.8941 27.0215 -23.6126 -4.17142 TIMING: 2005800 CPU: 5820.78, 0.00287421/step Wall: 5820.78, 0.00287421/step, 2.39055 hours remaining, 206.242188 MB of memory in use. ENERGY: 2005800 724.4450 2077.9706 1980.6663 108.9953 -206067.3527 17810.1252 0.0000 0.0000 34444.1821 -148920.9684 300.8096 -183365.1504 -148820.6279 300.0696 -62.7965 -29.9858 557798.2915 -5.6299 -5.7210 PRESSURE: 2006000 -123.645 128.822 -150.096 128.823 7.2116 -88.1983 -150.096 -88.1985 -267.637 GPRESSURE: 2006000 -44.4594 225.415 -133.767 105.952 -41.6018 -12.9154 -177.185 -45.0348 -197.546 PRESSAVG: 2006000 44.2462 -57.292 16.5651 -57.292 33.0014 -56.9892 16.5652 -56.9891 -41.9681 GPRESSAVG: 2006000 45.4503 -56.4404 15.3808 -58.6635 31.783 -58.1633 18.551 -55.9558 -41.1386 TIMING: 2006000 CPU: 5821.36, 0.00288939/step Wall: 5821.36, 0.00288939/step, 2.40301 hours remaining, 206.242188 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: 2006000 750.4096 2096.2890 1930.1244 120.2598 -205870.5982 17620.0868 0.0000 0.0000 34560.4983 -148792.9304 301.8254 -183353.4287 -148696.1737 300.5225 -128.0237 -94.5356 556852.1372 11.7598 12.0316 PRESSURE: 2006200 -112.608 -61.4922 -52.5222 -61.4914 49.9843 -60.0062 -52.5219 -60.0052 -211.636 GPRESSURE: 2006200 -78.5893 -43.5109 -131.806 -170.356 54.3035 1.25522 53.9953 -67.1068 -159.824 PRESSAVG: 2006200 85.8411 -30.9265 0.731549 -30.9265 -29.3654 -52.0912 0.731538 -52.0912 -66.9977 GPRESSAVG: 2006200 85.509 -32.1018 0.439568 -30.5148 -29.8253 -51.0716 0.470842 -52.2952 -66.7561 TIMING: 2006200 CPU: 5821.93, 0.00289178/step Wall: 5821.93, 0.00289178/step, 2.40484 hours remaining, 206.242188 MB of memory in use. ENERGY: 2006200 738.8735 2132.0040 1979.3141 126.6529 -205908.2643 17701.4817 0.0000 0.0000 34344.3848 -148885.5534 299.9381 -183229.9382 -148789.8826 300.1789 -91.4199 -61.3699 557197.3677 -3.5073 -3.6908 PRESSURE: 2006400 -32.9782 -0.828418 28.2564 -0.827887 -238.999 131.559 28.2564 131.56 -132.053 GPRESSURE: 2006400 -16.8049 68.199 41.3151 -64.9849 -191.532 146.375 -40.5714 184.253 -90.718 PRESSAVG: 2006400 44.795 -7.33129 -47.2287 -7.33124 -9.41764 -0.982283 -47.2288 -0.982239 -67.266 GPRESSAVG: 2006400 43.4463 -7.87415 -46.0353 -7.7578 -8.58663 -1.98468 -46.834 -0.0264541 -66.6766 TIMING: 2006400 CPU: 5822.51, 0.00286389/step Wall: 5822.51, 0.00286389/step, 2.38148 hours remaining, 206.242188 MB of memory in use. ENERGY: 2006400 775.0691 2149.2788 1937.2886 102.1789 -205820.3181 17640.5929 0.0000 0.0000 34494.7357 -148721.1743 301.2511 -183215.9099 -148633.6392 300.6862 -134.6768 -99.6851 557543.5171 -10.6296 -10.6056 PRESSURE: 2006600 100.975 -6.74524 -10.8658 -6.74456 -316.062 134.417 -10.8648 134.416 101.299 GPRESSURE: 2006600 146.368 -61.6833 -27.9102 -5.77129 -272.046 183.426 9.7234 128.008 109.332 PRESSAVG: 2006600 42.7601 -21.7277 47.0259 -21.7277 -16.1057 13.716 47.0259 13.716 -6.47702 GPRESSAVG: 2006600 42.5807 -21.2729 45.7681 -21.4254 -15.3653 14.7013 45.3436 10.5262 -7.17429 TIMING: 2006600 CPU: 5823.08, 0.00288158/step Wall: 5823.08, 0.00288158/step, 2.39603 hours remaining, 206.242188 MB of memory in use. ENERGY: 2006600 738.7355 2093.7815 1941.0751 118.0967 -205428.7760 17512.8578 0.0000 0.0000 34269.3196 -148754.9097 299.2825 -183024.2293 -148663.1218 300.2139 -37.9295 -5.4488 557891.4887 6.7258 6.6804 PRESSURE: 2006800 -18.3095 -117.817 66.1398 -117.818 95.3422 -79.7524 66.139 -79.7531 -96.6495 GPRESSURE: 2006800 35.7552 -167.428 137.884 -61.7377 104.249 -29.0111 8.67023 -34.6593 -66.1688 PRESSAVG: 2006800 10.5156 -25.0333 7.48735 -25.0333 -40.7723 -15.0122 7.48734 -15.0121 17.723 GPRESSAVG: 2006800 11.2123 -24.5667 10.2482 -25.7572 -42.4699 -15.7965 5.95543 -14.4034 18.4712 TIMING: 2006800 CPU: 5823.66, 0.00288277/step Wall: 5823.66, 0.00288277/step, 2.39686 hours remaining, 206.242188 MB of memory in use. ENERGY: 2006800 733.4469 2167.8516 1972.2311 119.1961 -205996.3133 17773.6215 0.0000 0.0000 34256.4526 -148973.5136 299.1701 -183229.9662 -148883.9642 300.1557 -6.5389 24.6117 556409.5459 -4.1779 -4.2621 PRESSURE: 2007000 -189.655 -22.3227 104.175 -22.3228 -211.465 -92.6041 104.177 -92.6049 -80.647 GPRESSURE: 2007000 -142.063 -43.1005 42.7031 42.9311 -257.811 -152.426 117.652 -74.3827 11.7575 PRESSAVG: 2007000 10.8525 -16.9901 44.5842 -16.9901 -50.1714 -64.959 44.5842 -64.9589 30.7748 GPRESSAVG: 2007000 10.3004 -20.3493 40.7124 -16.0166 -49.0611 -64.6826 48.8032 -64.9321 29.7113 TIMING: 2007000 CPU: 5824.24, 0.00288523/step Wall: 5824.24, 0.00288522/step, 2.39874 hours remaining, 206.242188 MB of memory in use. ENERGY: 2007000 755.5023 2075.3197 1980.2337 111.7256 -206056.1735 17521.5703 0.0000 0.0000 34393.2782 -149218.5437 300.3651 -183611.8219 -149119.0398 299.3943 -160.5890 -129.3720 557435.5752 -2.8480 -3.0165 PRESSURE: 2007200 9.57654 177.973 -88.9515 177.974 377.488 -26.4758 -88.9512 -26.4766 29.6418 GPRESSURE: 2007200 103.797 141.343 -51.5346 139.397 341.373 -80.8891 -138.478 -40.5616 67.4912 PRESSAVG: 2007200 -13.5164 -24.9912 -38.1918 -24.9912 21.0003 25.1701 -38.1918 25.1701 -6.32524 GPRESSAVG: 2007200 -13.269 -22.3184 -35.6438 -26.6523 21.0003 23.1349 -41.126 26.9073 -6.62175 TIMING: 2007200 CPU: 5824.82, 0.00289364/step Wall: 5824.82, 0.00289364/step, 2.40558 hours remaining, 206.242188 MB of memory in use. ENERGY: 2007200 739.9937 2171.5009 1946.6944 105.7585 -206576.1249 18059.0308 0.0000 0.0000 34377.4234 -149175.7233 300.2266 -183553.1467 -149074.0742 298.8308 138.9022 170.8870 557295.3088 0.3862 0.3699 PRESSURE: 2007400 -155.882 -69.9022 13.771 -69.902 -108.926 -180.979 13.7709 -180.979 66.2873 GPRESSURE: 2007400 -106.657 -75.41 -39.1516 -22.3285 -86.2748 -146.17 64.2716 -179.797 88.7572 PRESSAVG: 2007400 -79.7352 25.5267 -90.097 25.5267 65.539 -2.08152 -90.097 -2.08152 19.3274 GPRESSAVG: 2007400 -79.6552 25.5583 -90.5505 27.2627 65.9467 0.373099 -87.8382 -3.44634 18.8201 TIMING: 2007400 CPU: 5825.4, 0.00289877/step Wall: 5825.4, 0.00289877/step, 2.40969 hours remaining, 206.242188 MB of memory in use. ENERGY: 2007400 762.4528 2133.8879 1966.7583 115.4461 -206346.5763 17914.7629 0.0000 0.0000 34283.0564 -149170.2119 299.4025 -183453.2683 -149072.8082 299.3994 -66.1737 -34.7250 558546.3915 1.7104 1.7039 PRESSURE: 2007600 189.674 161.914 235.552 161.916 56.6265 70.4336 235.552 70.4336 -131.454 GPRESSURE: 2007600 189.728 165.777 356.071 190.982 60.4593 169.461 152.207 49.6741 -41.27 PRESSAVG: 2007600 36.8287 14.3031 -23.4498 14.3032 42.828 -20.1324 -23.4499 -20.1324 -74.8886 GPRESSAVG: 2007600 36.3691 12.8565 -22.5014 13.7242 42.1823 -21.5474 -24.9053 -18.1771 -74.4035 TIMING: 2007600 CPU: 5825.97, 0.00288746/step Wall: 5825.97, 0.00288746/step, 2.40012 hours remaining, 206.242188 MB of memory in use. ENERGY: 2007600 750.5836 2137.0410 1976.3386 117.2965 -206383.6055 17961.2067 0.0000 0.0000 34142.8438 -149298.2953 298.1779 -183441.1391 -149197.3210 299.3277 38.2823 69.6391 558277.9910 1.5894 1.3826 PRESSURE: 2007800 492.787 27.2848 -88.9927 27.2846 191.804 -22.9152 -88.9912 -22.915 6.21914 GPRESSURE: 2007800 500.05 71.6468 85.5365 -59.4868 221.607 10.1066 -56.6067 -2.51259 61.0655 PRESSAVG: 2007800 -31.2598 17.7389 38.8993 17.7388 62.1333 -13.4603 38.8993 -13.4603 -64.4553 GPRESSAVG: 2007800 -30.54 22.2652 36.7962 15.1515 60.9263 -13.6633 39.2565 -15.9733 -64.4521 TIMING: 2007800 CPU: 5826.55, 0.00288333/step Wall: 5826.55, 0.00288333/step, 2.39652 hours remaining, 206.242188 MB of memory in use. ENERGY: 2007800 746.4417 2194.0616 1957.7475 128.2839 -206701.9825 18223.7275 0.0000 0.0000 34150.6646 -149301.0557 298.2462 -183451.7203 -149207.8146 299.3322 230.2699 260.9073 556115.6074 -11.1939 -11.3553 PRESSURE: 2008000 126.068 -42.6817 -140.155 -42.6825 132.99 34.3885 -140.154 34.3882 516.021 GPRESSURE: 2008000 187.747 -20.6819 -192.735 -55.5199 200.962 74.0848 -47.5585 -21.9187 485.757 PRESSAVG: 2008000 -10.3002 -34.0695 24.3318 -34.0694 -32.0215 -3.38024 24.3317 -3.38027 29.3018 GPRESSAVG: 2008000 -11.0763 -36.6629 27.0158 -30.8777 -30.4754 -3.05945 23.612 -2.03411 28.7022 TIMING: 2008000 CPU: 5827.13, 0.0028833/step Wall: 5827.13, 0.0028833/step, 2.39634 hours remaining, 206.242188 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: 2008000 715.5459 2080.5559 1983.4498 118.7217 -206715.6545 18207.9178 0.0000 0.0000 34267.2500 -149342.2135 299.2644 -183609.4635 -149251.6157 299.7748 258.3597 291.4885 556337.8982 -4.3399 -4.2832 PRESSURE: 2008200 -194.428 -37.5118 -71.3209 -37.5104 157.387 -58.7735 -71.3208 -58.7742 52.9823 GPRESSURE: 2008200 -105.856 -84.9204 -74.5681 -51.1276 211.119 -99.2247 -82.647 -64.9378 5.18927 PRESSAVG: 2008200 -15.472 9.90973 -50.96 9.90973 42.0564 2.88482 -50.9601 2.8849 26.4946 GPRESSAVG: 2008200 -14.2741 9.41017 -53.1578 8.17197 40.8701 3.58825 -51.4069 0.989187 26.8089 TIMING: 2008200 CPU: 5827.7, 0.00288804/step Wall: 5827.7, 0.00288804/step, 2.40012 hours remaining, 206.242188 MB of memory in use. ENERGY: 2008200 743.2384 2130.2749 2001.3839 111.8612 -205945.6279 17607.1325 0.0000 0.0000 34152.0210 -149199.7161 298.2581 -183351.7370 -149104.4940 299.5015 5.3138 36.8173 556900.1853 17.6930 17.8017 LDB: ============= START OF LOAD BALANCING ============== 5831.17 LDB: ============== END OF LOAD BALANCING =============== 5831.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5831.17 LDB: ============= START OF LOAD BALANCING ============== 5831.45 LDB: Largest compute 4820 load 0.029049 is 24.7% of average load 0.117801 LDB: Average compute 0.001707 is 1.4% of average load 0.117801 LDB: TIME 5831.46 LOAD: AVG 0.117801 MAX 0.178209 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.426 MB LDB: TIME 5831.46 LOAD: AVG 0.117801 MAX 0.178209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: TIME 5831.46 LOAD: AVG 0.117801 MAX 0.178209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5831.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5831.46 PRESSURE: 2008400 -111.326 -11.9754 124.895 -11.9763 -74.321 -149.508 124.895 -149.509 -187.191 GPRESSURE: 2008400 -94.4635 -146.429 164.923 134.918 -57.2773 -68.3419 73.0474 -123.753 -122.189 PRESSAVG: 2008400 45.231 -1.55118 -11.2784 -1.55118 0.355325 36.277 -11.2785 36.277 0.636029 GPRESSAVG: 2008400 44.8837 -0.358792 -10.736 0.0288585 0.506414 35.606 -9.18265 34.2259 1.16649 TIMING: 2008400 CPU: 5828.29, 0.00291465/step Wall: 5828.29, 0.00291465/step, 2.42207 hours remaining, 205.808594 MB of memory in use. ENERGY: 2008400 770.6138 2051.3997 1957.6180 117.4706 -206418.7890 17888.5691 0.0000 0.0000 34383.1341 -149249.9837 300.2765 -183633.1177 -149146.0894 299.3695 -124.2792 -91.3099 558304.5902 15.4075 15.5189 PRESSURE: 2008600 186.31 52.7566 -61.1625 52.7574 -130.733 -23.7434 -61.1615 -23.7422 25.9952 GPRESSURE: 2008600 165.733 40.7387 -68.8718 62.9049 -82.4087 17.4508 -71.6236 7.13513 101.301 PRESSAVG: 2008600 41.4916 16.9379 9.24123 16.9379 -34.8941 -26.6982 9.24128 -26.6983 39.0654 GPRESSAVG: 2008600 41.0948 16.9931 9.35762 15.6232 -33.032 -26.5832 7.94773 -25.2493 37.834 TIMING: 2008600 CPU: 5828.86, 0.00287207/step Wall: 5828.86, 0.00287207/step, 2.38653 hours remaining, 205.878906 MB of memory in use. ENERGY: 2008600 738.8856 2074.3687 2003.5378 121.6318 -206332.6788 17872.1568 0.0000 0.0000 34178.8803 -149343.2178 298.4927 -183522.0981 -149243.4140 298.9751 27.1906 61.5419 555720.2111 15.2210 15.2989 PRESSURE: 2008800 158.272 -145.984 178.496 -145.985 -237.495 -78.017 178.495 -78.017 -58.8788 GPRESSURE: 2008800 159.739 -176.418 108.216 -118.405 -150.934 -93.3907 198.083 -131.235 -64.9082 PRESSAVG: 2008800 10.9075 -21.4727 51.1025 -21.4726 -51.3122 23.8291 51.1026 23.829 22.9101 GPRESSAVG: 2008800 11.6654 -20.0148 49.6155 -22.5402 -52.271 24.1956 51.138 24.1071 23.0579 TIMING: 2008800 CPU: 5829.43, 0.00285602/step Wall: 5829.43, 0.00285602/step, 2.37304 hours remaining, 205.878906 MB of memory in use. ENERGY: 2008800 743.8662 2070.7726 1967.5018 118.1415 -205948.0032 17660.2207 0.0000 0.0000 34109.7171 -149277.7832 297.8886 -183387.5003 -149183.1807 298.5920 -46.0337 -18.7009 557897.0441 -5.8315 -5.8493 PRESSURE: 2009000 178.77 133.997 -72.4559 133.999 53.9707 -30.0743 -72.4549 -30.0746 131.438 GPRESSURE: 2009000 200.435 132.588 -31.8145 148.902 124.339 -62.9616 -113.909 81.4188 119.092 PRESSAVG: 2009000 -2.92189 -76.5597 -2.74142 -76.5598 0.544772 -38.8141 -2.7415 -38.8141 17.6304 GPRESSAVG: 2009000 -4.32578 -77.0502 -3.23604 -75.0453 0.87177 -39.8108 -1.19718 -40.0267 18.4438 TIMING: 2009000 CPU: 5830, 0.00285406/step Wall: 5830, 0.00285406/step, 2.37125 hours remaining, 205.878906 MB of memory in use. ENERGY: 2009000 722.0445 2139.7928 1965.0326 131.1904 -206494.3977 18003.4507 0.0000 0.0000 34192.9684 -149339.9183 298.6157 -183532.8867 -149242.3495 298.6723 121.3930 147.9552 556797.1429 5.0844 4.9966 PRESSURE: 2009200 139.029 -55.7964 121.622 -55.797 55.4289 -99.9005 121.623 -99.9021 222.987 GPRESSURE: 2009200 194.597 -36.7429 105.464 -83.3379 95.4718 -6.88054 102.663 -59.6524 231.294 PRESSAVG: 2009200 -4.10408 -27.1327 -44.0886 -27.1328 -8.42188 18.1541 -44.0886 18.1541 22.1613 GPRESSAVG: 2009200 -3.65516 -27.2224 -43.6266 -27.7501 -9.74222 19.0591 -44.1654 18.8167 23.7083 TIMING: 2009200 CPU: 5830.57, 0.00285516/step Wall: 5830.57, 0.00285516/step, 2.37201 hours remaining, 205.878906 MB of memory in use. ENERGY: 2009200 736.7513 2108.3445 1987.9570 112.0192 -206801.5277 17983.4794 0.0000 0.0000 34402.0446 -149470.9317 300.4416 -183872.9763 -149373.3478 298.6321 139.1483 173.7877 554470.5109 3.2118 3.4370 PRESSURE: 2009400 -188.558 -161.703 -131.075 -161.702 -321.838 8.66025 -131.076 8.66027 -69.0953 GPRESSURE: 2009400 -125.849 -190.668 -110 -112.612 -254.164 -22.5417 -152.387 58.6155 -97.6205 PRESSAVG: 2009400 -21.1526 -88.9476 -66.7275 -88.9477 -32.8057 54.3739 -66.7275 54.3738 39.2772 GPRESSAVG: 2009400 -20.5914 -88.8361 -66.8869 -88.1813 -32.6115 54.969 -67.1971 56.396 38.3943 TIMING: 2009400 CPU: 5831.15, 0.00287061/step Wall: 5831.15, 0.00287061/step, 2.38468 hours remaining, 205.878906 MB of memory in use. ENERGY: 2009400 742.0969 2166.6945 1967.5267 116.7475 -206147.6958 17563.2499 0.0000 0.0000 34221.0040 -149370.3762 298.8605 -183591.3803 -149272.7662 298.4624 -193.1637 -159.2112 557962.6873 -4.8937 -4.9362 PRESSURE: 2009600 -82.6127 80.2241 166.794 80.224 -180.709 -28.7872 166.794 -28.7866 107.509 GPRESSURE: 2009600 -12.323 95.1114 152.536 -14.9121 -152.674 -4.75369 158.179 26.4438 109.103 PRESSAVG: 2009600 -5.90895 -73.066 38.6704 -73.066 -41.6855 1.80374 38.6704 1.80367 19.3059 GPRESSAVG: 2009600 -5.84263 -73.351 40.2607 -74.8279 -41.7828 0.755073 37.9897 -0.0375974 19.2324 TIMING: 2009600 CPU: 5831.72, 0.00288392/step Wall: 5831.72, 0.00288392/step, 2.39558 hours remaining, 205.878906 MB of memory in use. ENERGY: 2009600 758.7799 2075.0515 1966.3423 120.7732 -206218.2523 17790.3424 0.0000 0.0000 34115.6237 -149391.3393 297.9402 -183506.9631 -149296.1473 298.2043 -51.9373 -18.6314 557547.0361 -9.4295 -9.4643 PRESSURE: 2009800 -24.6832 9.27343 -59.8711 9.27425 179.626 -148.039 -59.8718 -148.04 -48.3857 GPRESSURE: 2009800 33.224 -2.18478 -134.382 -14.4824 207.563 -153.262 -57.8713 -145.92 -46.3145 PRESSAVG: 2009800 -4.52797 -38.9199 17.5366 -38.9199 -13.7497 31.3645 17.5365 31.3645 -0.634879 GPRESSAVG: 2009800 -4.86953 -38.6629 17.038 -38.1859 -13.9195 30.8567 18.4888 31.6068 -0.162612 TIMING: 2009800 CPU: 5832.3, 0.00287461/step Wall: 5832.3, 0.00287461/step, 2.38768 hours remaining, 205.984375 MB of memory in use. ENERGY: 2009800 710.6284 2118.6931 1966.5263 134.9418 -206401.3975 17808.3479 0.0000 0.0000 34112.8559 -149549.4041 297.9161 -183662.2601 -149449.5045 298.4485 35.5190 64.8243 557889.6460 -6.3042 -6.3172 PRESSURE: 2010000 141.183 -90.054 -139.773 -90.0528 -166.38 -233.332 -139.773 -233.332 122.81 GPRESSURE: 2010000 162.29 -126.392 -155.729 -46.6492 -69.5502 -188.887 -97.4324 -261.68 98.3597 PRESSAVG: 2010000 -25.4806 -45.1851 -31.4264 -45.1853 4.75746 37.4631 -31.4264 37.4632 -9.36636 GPRESSAVG: 2010000 -23.5405 -43.7928 -29.945 -43.6183 5.03132 35.797 -32.2443 38.1935 -10.7801 TIMING: 2010000 CPU: 5832.87, 0.00286724/step Wall: 5832.87, 0.00286724/step, 2.3814 hours remaining, 205.984375 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: 2010000 702.2876 2092.9719 1957.5420 111.7976 -206395.5551 17737.2568 0.0000 0.0000 34229.0668 -149564.6324 298.9310 -183793.6992 -149469.8998 297.9527 32.5375 63.6998 557230.5879 -10.0298 -9.7631 PRESSURE: 2010200 -20.4641 33.6753 -93.9681 33.6762 276.659 -49.3436 -93.9671 -49.3432 -238.917 GPRESSURE: 2010200 -18.0887 10.6922 -118.467 34.1412 292.35 -33.0183 -54.6607 -49.1221 -163.033 PRESSAVG: 2010200 -22.8929 -28.1553 32.2994 -28.1551 -7.89172 14.1182 32.2994 14.1182 15.9015 GPRESSAVG: 2010200 -22.9278 -30.6137 32.784 -26.5197 -9.00435 15.9605 33.0366 14.0511 17.4692 TIMING: 2010200 CPU: 5833.45, 0.00288247/step Wall: 5833.45, 0.00288247/step, 2.39389 hours remaining, 205.984375 MB of memory in use. ENERGY: 2010200 739.0322 2126.4947 1943.7296 107.7509 -206331.0556 17942.7411 0.0000 0.0000 34064.7576 -149406.5495 297.4960 -183471.3071 -149313.3938 297.9434 5.7594 37.0759 558228.2808 -4.9610 -4.8210 PRESSURE: 2010400 -146.954 79.2146 -38.0255 79.2136 231.546 72.1726 -38.024 72.1718 84.1389 GPRESSURE: 2010400 -113.218 -18.2408 -1.41301 78.7195 256.723 -44.8704 -15.691 73.9685 111.879 PRESSAVG: 2010400 -13.0805 39.5235 33.4685 39.5235 0.968612 -20.1244 33.4686 -20.1243 2.6227 GPRESSAVG: 2010400 -14.4313 39.3261 32.0044 38.4286 2.34412 -19.9421 35.4544 -21.3827 2.34468 TIMING: 2010400 CPU: 5834.03, 0.00289668/step Wall: 5834.03, 0.00289668/step, 2.40554 hours remaining, 205.984375 MB of memory in use. ENERGY: 2010400 755.3556 2068.3244 1957.4511 108.6143 -206381.8364 17969.9587 0.0000 0.0000 34103.3753 -149418.7570 297.8333 -183522.1323 -149314.6331 298.1665 56.2435 85.1279 556535.1734 -3.1631 -3.2475 PRESSURE: 2010600 -56.807 7.82989 -32.2953 7.83024 -108.257 -17.6524 -32.2951 -17.6514 -312.251 GPRESSURE: 2010600 18.904 -16.2855 -71.1088 15.9577 -58.3822 28.9898 5.40153 -49.7236 -338.145 PRESSAVG: 2010600 4.23439 -2.82964 8.8717 -2.82961 16.2055 -0.265401 8.87178 -0.265334 -23.5996 GPRESSAVG: 2010600 4.84225 -2.29561 7.6886 -2.97089 15.7695 -1.58218 7.50311 0.524526 -23.2492 TIMING: 2010600 CPU: 5834.6, 0.00287909/step Wall: 5834.6, 0.00287909/step, 2.39077 hours remaining, 205.984375 MB of memory in use. ENERGY: 2010600 732.9560 2107.1628 1966.2791 110.3044 -205830.4910 17606.8667 0.0000 0.0000 34182.1449 -149124.7771 298.5212 -183306.9220 -149036.9897 298.0490 -159.1048 -125.8745 558556.6626 -1.0532 -0.8792 PRESSURE: 2010800 113.211 156.93 56.0781 156.93 -328.016 4.29029 56.0775 4.2905 -126.228 GPRESSURE: 2010800 122.554 130.799 62.7872 181.657 -305.583 40.5114 54.9271 -38.3601 -58.0135 PRESSAVG: 2010800 20.7643 60.5383 10.4864 60.5383 -15.8438 -11.732 10.4864 -11.7321 -4.76486 GPRESSAVG: 2010800 20.8944 61.2654 13.248 60.5361 -15.5284 -11.2861 8.42981 -10.6481 -5.71725 TIMING: 2010800 CPU: 5835.17, 0.0028505/step Wall: 5835.17, 0.0028505/step, 2.36686 hours remaining, 205.984375 MB of memory in use. ENERGY: 2010800 768.0799 2058.1390 1977.4520 115.8305 -205891.3871 17577.0204 0.0000 0.0000 34237.1308 -149157.7345 299.0014 -183394.8653 -149063.4623 298.6574 -113.6775 -80.3475 556731.8304 0.0519 -0.1171 PRESSURE: 2011000 152.857 64.4233 103.643 64.4227 36.1828 -48.9525 103.644 -48.9515 36.1163 GPRESSURE: 2011000 256.641 51.0971 110.455 56.1777 52.4897 -56.3373 153.743 -119.917 5.35782 PRESSAVG: 2011000 10.4162 18.7998 59.0599 18.7998 1.93914 4.11049 59.0598 4.11065 -19.6043 GPRESSAVG: 2011000 11.5642 20.8605 57.1772 18.6358 0.826101 5.67642 60.1202 2.18022 -19.5287 TIMING: 2011000 CPU: 5835.75, 0.00286007/step Wall: 5835.75, 0.00286007/step, 2.37466 hours remaining, 205.984375 MB of memory in use. ENERGY: 2011000 730.2809 2093.3216 1964.9419 118.6579 -206235.0519 17856.3694 0.0000 0.0000 34165.1932 -149306.2869 298.3731 -183471.4801 -149207.8173 299.0143 75.0522 104.8294 556397.7821 -2.4163 -2.3795 PRESSURE: 2011200 171.069 -132.21 103.311 -132.21 172.308 25.8588 103.312 25.8594 185.429 GPRESSURE: 2011200 292.997 -206.8 167.32 -93.4952 128.477 56.7358 142.158 61.0115 199.782 PRESSAVG: 2011200 10.663 36.0544 35.0561 36.0545 4.32591 16.6825 35.0562 16.6824 46.2019 GPRESSAVG: 2011200 10.1637 34.3716 35.4185 35.5921 4.61674 15.1963 35.3812 17.4184 46.444 TIMING: 2011200 CPU: 5836.32, 0.0028478/step Wall: 5836.32, 0.0028478/step, 2.3643 hours remaining, 205.984375 MB of memory in use. ENERGY: 2011200 742.1285 2101.7531 1984.1405 101.3567 -206409.9933 18041.9873 0.0000 0.0000 34159.0518 -149279.5754 298.3195 -183438.6272 -149184.9790 299.6347 176.2684 207.0856 556166.9071 20.3969 20.4082 PRESSURE: 2011400 -169.091 -13.1169 -160.741 -13.1168 93.4954 -32.8568 -160.742 -32.8546 96.426 GPRESSURE: 2011400 -120.983 -39.6764 -248.415 68.3032 136.569 -29.2487 -91.7902 -62.7623 111.833 PRESSAVG: 2011400 -9.38165 -45.3124 47.5558 -45.3124 6.44916 4.16128 47.5558 4.16122 -1.20123 GPRESSAVG: 2011400 -9.86092 -47.0719 47.3824 -44.6104 6.4662 4.74282 47.3216 3.5244 -0.52998 TIMING: 2011400 CPU: 5836.89, 0.00288555/step Wall: 5836.89, 0.00288555/step, 2.39549 hours remaining, 205.984375 MB of memory in use. ENERGY: 2011400 737.6863 2080.1670 2006.1737 110.7403 -206522.3354 17912.4210 0.0000 0.0000 34425.9631 -149249.1840 300.6505 -183675.1471 -149150.3400 299.5226 6.9435 42.4732 557849.1082 -1.3779 -1.3082 PRESSURE: 2011600 -145.143 -37.3469 -170.392 -37.3466 -222.996 159.776 -170.392 159.775 100.328 GPRESSURE: 2011600 -59.9409 45.2768 -89.9152 -32.1229 -129.026 63.7242 -302.734 180.439 26.0711 PRESSAVG: 2011600 -64.7204 15.5559 7.00611 15.556 14.7043 0.841107 7.00615 0.841063 73.9799 GPRESSAVG: 2011600 -64.0279 16.3368 7.10989 12.3421 14.6366 0.578858 6.04961 1.59597 73.6134 TIMING: 2011600 CPU: 5837.47, 0.00287793/step Wall: 5837.47, 0.00287793/step, 2.38901 hours remaining, 205.984375 MB of memory in use. ENERGY: 2011600 753.4710 2062.8460 1995.0087 122.6957 -206313.9984 17922.7789 0.0000 0.0000 34102.0867 -149355.1115 297.8220 -183457.1982 -149261.1404 299.1508 -89.2704 -54.2985 557931.5518 7.9879 8.0741 PRESSURE: 2011800 58.7017 -37.8881 -21.7098 -37.8885 180.172 -14.3785 -21.7109 -14.3777 5.25132 GPRESSURE: 2011800 109.296 -40.6065 -4.16416 -68.6114 187.683 -14.3019 -61.1892 -22.8297 44.4383 PRESSAVG: 2011800 -24.4705 -64.2231 -57.7147 -64.2231 45.3378 3.34203 -57.7148 3.34197 -28.4519 GPRESSAVG: 2011800 -24.128 -63.8377 -60.1278 -61.2347 44.6153 3.59914 -56.4671 3.47136 -28.1087 TIMING: 2011800 CPU: 5838.04, 0.00287599/step Wall: 5838.04, 0.00287599/step, 2.38723 hours remaining, 205.984375 MB of memory in use. ENERGY: 2011800 772.6673 2089.5574 1984.6236 112.2086 -206437.0810 18023.4543 0.0000 0.0000 34115.6589 -149338.9110 297.9405 -183454.5699 -149235.4016 298.7939 81.3749 113.8059 558417.3116 -2.5282 -2.5405 PRESSURE: 2012000 -173.855 -63.075 138.447 -63.0746 -164.511 83.6651 138.448 83.6665 173.73 GPRESSURE: 2012000 -165.757 -70.9332 129.615 31.299 -75.7211 127.931 102.29 80.008 185.213 PRESSAVG: 2012000 -37.841 -9.2798 -12.9688 -9.27977 -40.6631 79.2133 -12.9688 79.2132 72.3072 GPRESSAVG: 2012000 -38.8881 -7.61979 -10.6289 -10.8148 -40.1364 79.8091 -13.5501 78.7315 72.4885 TIMING: 2012000 CPU: 5838.62, 0.00288591/step Wall: 5838.62, 0.00288591/step, 2.3953 hours remaining, 205.984375 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: 2012000 775.1417 2086.9858 1963.7218 112.9714 -206491.9227 17951.5220 0.0000 0.0000 34349.8100 -149251.7699 299.9854 -183601.5799 -149156.0290 299.3907 -54.8786 -18.7551 557633.3700 -2.0656 -2.1787 PRESSURE: 2012200 -44.6535 -78.7804 -50.5745 -78.7789 129.927 6.5921 -50.5739 6.59011 -41.06 GPRESSURE: 2012200 16.8073 18.4199 -36.1161 -94.7453 209.531 -29.1521 -53.6014 61.0835 -84.1355 PRESSAVG: 2012200 32.7652 21.7925 13.9477 21.7925 -18.7648 -11.0769 13.9478 -11.0769 -41.3367 GPRESSAVG: 2012200 32.4959 21.9844 12.7287 22.6223 -18.2045 -11.7722 15.3756 -9.83885 -41.0996 TIMING: 2012200 CPU: 5839.2, 0.0028873/step Wall: 5839.2, 0.0028873/step, 2.3963 hours remaining, 205.984375 MB of memory in use. ENERGY: 2012200 742.3149 2148.2760 1983.3874 108.6268 -206267.6759 17826.2571 0.0000 0.0000 34398.5166 -149060.2971 300.4108 -183458.8137 -148960.8600 299.6878 14.7380 47.4010 558906.2248 -9.1121 -8.9361 LDB: ============= START OF LOAD BALANCING ============== 5842.66 LDB: ============== END OF LOAD BALANCING =============== 5842.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.66 LDB: ============= START OF LOAD BALANCING ============== 5842.96 LDB: Largest compute 4820 load 0.030140 is 25.6% of average load 0.117856 LDB: Average compute 0.001710 is 1.5% of average load 0.117856 LDB: TIME 5842.96 LOAD: AVG 0.117856 MAX 0.180112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 5842.96 LOAD: AVG 0.117856 MAX 0.180112 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: TIME 5842.96 LOAD: AVG 0.117856 MAX 0.180112 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5842.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5842.97 PRESSURE: 2012400 -149.622 61.5529 221.063 61.5518 -134.688 -120.153 221.061 -120.153 -55.3745 GPRESSURE: 2012400 -148.678 128.894 270.776 80.0598 -135.745 -114.617 107.472 -116.547 47.2978 PRESSAVG: 2012400 -31.1127 26.3762 45.3958 26.3761 11.9786 -13.6048 45.3958 -13.605 -0.875727 GPRESSAVG: 2012400 -31.4972 25.3292 45.1827 26.7656 12.1484 -13.6048 42.9605 -12.6449 -0.456815 TIMING: 2012400 CPU: 5839.79, 0.00295452/step Wall: 5839.79, 0.00295452/step, 2.45192 hours remaining, 205.671875 MB of memory in use. ENERGY: 2012400 740.8596 2115.0728 1965.1489 116.9095 -206222.7028 17840.1614 0.0000 0.0000 34244.4364 -149200.1143 299.0652 -183444.5507 -149104.9874 299.7554 -113.2280 -79.0417 557915.6533 -6.6700 -6.6019 PRESSURE: 2012600 -32.8154 -15.13 191.604 -15.1303 -0.298224 -40.0365 191.603 -40.038 -39.376 GPRESSURE: 2012600 76.5283 -8.89495 223.298 74.3975 -40.7925 -59.2514 224.249 18.8989 -17.7118 PRESSAVG: 2012600 -13.8872 12.7439 57.8928 12.7439 -2.2182 47.8826 57.8928 47.8828 17.517 GPRESSAVG: 2012600 -12.9145 12.3813 58.4508 11.4819 -2.50895 48.7168 57.4442 46.6178 17.0007 TIMING: 2012600 CPU: 5840.37, 0.0028948/step Wall: 5840.37, 0.0028948/step, 2.4022 hours remaining, 205.875000 MB of memory in use. ENERGY: 2012600 799.1570 2072.7261 1965.2027 120.8073 -206486.2436 18040.6803 0.0000 0.0000 34319.1976 -149168.4726 299.7181 -183487.6701 -149069.6463 299.0996 -24.1632 6.0080 558618.8843 0.4705 0.5258 PRESSURE: 2012800 -49.5939 24.8424 -26.1131 24.8422 38.1353 99.0384 -26.1116 99.037 -284.451 GPRESSURE: 2012800 31.3567 -49.6017 -32.969 -62.1257 33.8056 25.7609 -29.6228 146.768 -259.74 PRESSAVG: 2012800 -24.1325 24.4591 -4.10334 24.459 14.5934 53.5095 -4.10329 53.5096 30.3081 GPRESSAVG: 2012800 -22.7433 23.8379 -5.77215 25.0198 14.4598 53.4253 -2.85831 53.0101 29.5545 TIMING: 2012800 CPU: 5840.94, 0.00287834/step Wall: 5840.94, 0.00287834/step, 2.38838 hours remaining, 205.875000 MB of memory in use. ENERGY: 2012800 755.4808 2106.4403 1965.7870 96.1036 -206528.9561 17930.6989 0.0000 0.0000 34474.3350 -149200.1106 301.0729 -183674.4456 -149102.5305 299.1411 -98.6365 -64.8592 559307.9612 6.9230 7.0903 PRESSURE: 2013000 101.608 113.287 -52.6452 113.286 -87.0518 180.011 -52.6456 180.012 122.208 GPRESSURE: 2013000 142.058 212.649 -34.2949 83.1724 -45.9367 77.6114 -21.7707 250.857 137.726 PRESSAVG: 2013000 12.0111 12.4414 -13.0884 12.4413 45.7516 -6.39823 -13.0885 -6.39832 -38.0804 GPRESSAVG: 2013000 11.3521 11.9321 -12.2133 12.375 45.5383 -7.41764 -12.703 -4.42353 -37.0582 TIMING: 2013000 CPU: 5841.52, 0.00288333/step Wall: 5841.52, 0.00288333/step, 2.39237 hours remaining, 205.875000 MB of memory in use. ENERGY: 2013000 731.4126 2029.7272 1969.4791 121.2562 -206223.7165 17941.6696 0.0000 0.0000 34082.7064 -149347.4654 297.6528 -183430.1719 -149254.5386 299.0213 45.5879 77.9492 557471.3467 6.5608 6.6107 PRESSURE: 2013200 -62.8132 64.9061 -49.5751 64.9067 111.407 42.0548 -49.574 42.0547 183.978 GPRESSURE: 2013200 -86.271 73.3175 -11.5262 22.3992 157.975 -11.2366 -3.95584 135.124 248.295 PRESSAVG: 2013200 -39.5478 24.1925 -18.2371 24.1925 -34.5738 25.2447 -18.2369 25.2446 59.4013 GPRESSAVG: 2013200 -39.1761 23.6892 -16.6263 24.5763 -35.2166 24.5166 -17.6931 23.4575 59.6118 TIMING: 2013200 CPU: 5842.1, 0.00290502/step Wall: 5842.1, 0.00290502/step, 2.4102 hours remaining, 205.875000 MB of memory in use. ENERGY: 2013200 748.2175 2082.2152 1940.8082 103.6078 -206466.8150 17910.2107 0.0000 0.0000 34327.8288 -149353.9267 299.7935 -183681.7555 -149257.4202 298.8847 77.5242 106.6662 555810.7574 -4.9068 -4.9269 PRESSURE: 2013400 -105.454 -102.402 -287.567 -102.403 9.80416 -108.599 -287.567 -108.601 -103.689 GPRESSURE: 2013400 -109.117 -203.364 -264.752 -15.4735 15.1944 -132.336 -276.538 -9.65358 -15.5922 PRESSAVG: 2013400 -20.0822 -1.88544 -80.8115 -1.88546 -13.5636 13.9181 -80.8115 13.9181 23.842 GPRESSAVG: 2013400 -21.2882 -1.61812 -82.9193 -2.16026 -12.0649 14.0975 -80.2221 14.0994 23.5157 TIMING: 2013400 CPU: 5842.68, 0.00288394/step Wall: 5842.68, 0.00288394/step, 2.39255 hours remaining, 205.875000 MB of memory in use. ENERGY: 2013400 764.2173 2104.0735 1957.7739 126.7244 -206262.6479 17791.5112 0.0000 0.0000 34291.1527 -149227.1947 299.4732 -183518.3475 -149126.5932 299.1428 -66.4465 -36.5050 558245.7418 -3.2679 -3.2792 PRESSURE: 2013600 -100.342 -110.47 -14.5312 -110.469 -158.686 27.712 -14.5311 27.7119 -6.44775 GPRESSURE: 2013600 -44.3665 -154.409 -39.0151 -82.8001 -164.869 42.0833 -42.5424 32.8829 55.5957 PRESSAVG: 2013600 -8.48431 -12.0374 -22.3963 -12.0374 -36.2922 -12.5194 -22.3963 -12.5194 58.4572 GPRESSAVG: 2013600 -7.17511 -12.4825 -21.906 -10.4041 -37.3422 -11.4124 -25.0502 -12.6494 58.7881 TIMING: 2013600 CPU: 5843.26, 0.0028965/step Wall: 5843.26, 0.0028965/step, 2.40281 hours remaining, 205.875000 MB of memory in use. ENERGY: 2013600 718.6608 2103.4282 1976.9483 109.4799 -205808.8966 17474.7235 0.0000 0.0000 34008.0007 -149417.6553 297.0003 -183425.6559 -149314.6891 298.1928 -88.4919 -51.2133 556787.5868 4.5602 4.7569 PRESSURE: 2013800 238.604 10.8804 -4.15088 10.8811 101.08 205.846 -4.15113 205.846 136.814 GPRESSURE: 2013800 256.599 8.7119 20.4197 -28.2481 194.52 162.155 -76.3417 135.489 136.51 PRESSAVG: 2013800 -17.3003 -13.5616 -88.8048 -13.5616 63.9993 -11.2376 -88.8048 -11.2375 -31.9628 GPRESSAVG: 2013800 -17.4613 -10.9652 -87.783 -16.4192 64.4216 -11.1349 -88.7236 -10.7958 -32.1083 TIMING: 2013800 CPU: 5843.84, 0.00288708/step Wall: 5843.84, 0.00288708/step, 2.39483 hours remaining, 205.875000 MB of memory in use. ENERGY: 2013800 723.4111 2156.0592 1978.7753 113.2228 -206738.1556 18130.6781 0.0000 0.0000 34176.6493 -149459.3599 298.4732 -183636.0091 -149363.9417 297.9500 158.8326 195.8763 555875.5713 4.9121 4.9506 PRESSURE: 2014000 103.405 -74.2758 81.9033 -74.2759 -39.179 -37.4028 81.9024 -37.4019 -29.8784 GPRESSURE: 2014000 151.18 -94.8839 86.868 -65.3432 12.6368 5.83504 79.8734 -28.9842 -39.0914 PRESSAVG: 2014000 -3.7665 -12.0558 -23.0075 -12.0559 37.6441 -16.4163 -23.0074 -16.4163 -10.3941 GPRESSAVG: 2014000 -2.81628 -12.6843 -22.2455 -12.4861 35.2831 -17.3201 -22.3071 -16.9363 -9.32963 TIMING: 2014000 CPU: 5844.41, 0.00286433/step Wall: 5844.41, 0.00286434/step, 2.37581 hours remaining, 205.875000 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: 2014000 725.8197 2123.7707 1988.7781 127.3335 -206210.6010 17911.2544 0.0000 0.0000 33952.0636 -149381.5810 296.5118 -183333.6446 -149287.6304 298.0886 11.4492 41.5753 557123.3787 7.8278 7.7124 PRESSURE: 2014200 88.4107 71.253 59.2444 71.2532 -250.832 23.5568 59.2449 23.5571 61.9664 GPRESSURE: 2014200 125.093 146.706 24.5027 7.2637 -186.01 43.495 55.0791 2.05668 50.4616 PRESSAVG: 2014200 65.8896 -39.4716 -45.3067 -39.4717 -62.9363 -49.2389 -45.3068 -49.239 -4.106 GPRESSAVG: 2014200 65.3102 -39.6705 -46.4534 -39.723 -61.919 -49.6836 -46.9043 -48.4479 -4.60227 TIMING: 2014200 CPU: 5844.98, 0.00286141/step Wall: 5844.98, 0.00286141/step, 2.37322 hours remaining, 205.875000 MB of memory in use. ENERGY: 2014200 713.8727 2072.9537 1964.9683 115.6663 -206264.0613 17693.4813 0.0000 0.0000 34182.5119 -149520.6069 298.5244 -183703.1189 -149427.0697 298.1462 -33.4849 -3.4848 557177.5413 -0.3842 -0.4037 PRESSURE: 2014400 -98.8998 -54.6979 -22.3999 -54.6962 -157.655 52.5227 -22.4003 52.5215 -164.121 GPRESSURE: 2014400 -57.8513 -95.2982 -33.6982 -47.1294 -124.571 -21.3363 23.534 115.733 -142.422 PRESSAVG: 2014400 75.4017 50.1654 26.7228 50.1654 -45.1809 1.22964 26.7228 1.22979 6.62923 GPRESSAVG: 2014400 75.3662 48.5897 28.2809 52.2591 -45.2815 -0.143486 27.7184 -0.0242755 5.58323 TIMING: 2014400 CPU: 5845.55, 0.00286966/step Wall: 5845.55, 0.00286966/step, 2.3799 hours remaining, 205.875000 MB of memory in use. ENERGY: 2014400 783.1713 2073.7016 1989.2547 124.6709 -206055.2958 17654.2487 0.0000 0.0000 33942.9738 -149487.2748 296.4324 -183430.2486 -149389.1911 297.9608 -140.2254 -108.2814 556526.8207 12.2833 11.8893 PRESSURE: 2014600 -213.954 101.498 -101.865 101.497 -227.068 -6.28759 -101.866 -6.28615 -84.8435 GPRESSURE: 2014600 -139.629 68.7101 -160.755 34.3168 -208.825 36.8265 -91.8605 -65.6078 -53.5808 PRESSAVG: 2014600 -15.4871 9.90299 28.9427 9.903 -4.12123 -0.238732 28.9427 -0.238855 27.5419 GPRESSAVG: 2014600 -17.2288 8.51825 25.3732 9.96725 -2.38064 1.48533 30.5851 0.962516 28.0984 TIMING: 2014600 CPU: 5846.13, 0.00288832/step Wall: 5846.13, 0.00288832/step, 2.39522 hours remaining, 205.875000 MB of memory in use. ENERGY: 2014600 749.8180 2107.4553 1966.6790 120.1852 -206012.9072 17496.7000 0.0000 0.0000 34154.2906 -149417.7790 298.2779 -183572.0696 -149329.6647 298.2378 -175.2885 -134.0117 557407.6380 2.6445 2.8296 PRESSURE: 2014800 -175.722 -51.4409 26.2826 -51.4414 -123.031 71.8781 26.2833 71.8792 37.9799 GPRESSURE: 2014800 -187.331 -83.9544 54.0645 8.93595 -57.3988 37.3846 51.2138 84.5686 82.9801 PRESSAVG: 2014800 94.5799 -5.8458 21.0635 -5.84582 -59.5823 -14.6436 21.0636 -14.6436 -56.854 GPRESSAVG: 2014800 96.2859 -4.72516 23.8989 -5.08069 -61.8244 -16.02 20.7162 -12.4002 -56.9373 TIMING: 2014800 CPU: 5846.71, 0.00287391/step Wall: 5846.71, 0.00287391/step, 2.38311 hours remaining, 205.875000 MB of memory in use. ENERGY: 2014800 772.2874 2062.8556 1947.0291 116.8828 -206198.5898 17690.5111 0.0000 0.0000 34205.7808 -149403.2431 298.7276 -183609.0238 -149315.0764 298.4077 -86.9244 -53.9166 557489.4139 -7.2855 -7.4919 PRESSURE: 2015000 -126.287 84.5453 97.5917 84.5447 -150.419 49.7455 97.592 49.7454 23.7479 GPRESSURE: 2015000 -96.0733 3.87735 95.5146 142.776 -84.3594 18.471 6.50798 36.9903 28.9587 PRESSAVG: 2015000 37.1582 -3.53843 41.4803 -3.53831 21.5606 11.2341 41.4803 11.234 -27.6562 GPRESSAVG: 2015000 37.4729 -3.50643 39.8687 -5.35885 22.1664 11.7966 42.1758 10.1983 -29.3017 TIMING: 2015000 CPU: 5847.28, 0.00285444/step Wall: 5847.28, 0.00285444/step, 2.3668 hours remaining, 205.875000 MB of memory in use. ENERGY: 2015000 740.1185 2120.3188 1957.9500 110.7898 -206400.9923 17664.1254 0.0000 0.0000 34215.0503 -149592.6394 298.8085 -183807.6897 -149499.2575 298.3989 -84.3193 -50.4913 556123.6969 10.3542 10.1126 PRESSURE: 2015200 -99.4968 65.8915 -51.907 65.892 -68.4806 86.9308 -51.9081 86.9301 -273.647 GPRESSURE: 2015200 -149.524 52.6876 -23.394 71.7405 3.48909 58.1514 -107.782 57.8893 -204.082 PRESSAVG: 2015200 -65.3317 26.8087 -46.8893 26.8087 26.9291 -27.6474 -46.8893 -27.6473 12.9736 GPRESSAVG: 2015200 -66.9685 29.0307 -47.4479 25.7473 27.0573 -26.1798 -46.5674 -28.3921 14.097 TIMING: 2015200 CPU: 5847.85, 0.00287413/step Wall: 5847.85, 0.00287413/step, 2.38297 hours remaining, 205.875000 MB of memory in use. ENERGY: 2015200 723.3981 2078.2862 1964.7827 110.9399 -206026.9718 17669.7569 0.0000 0.0000 34015.4370 -149464.3709 297.0653 -183479.8079 -149366.5070 298.9992 -147.2082 -116.7057 557044.4945 -8.4763 -8.6047 PRESSURE: 2015400 -83.2695 -132.046 -159.026 -132.046 -99.5085 -298.705 -159.026 -298.703 -128.027 GPRESSURE: 2015400 -86.3286 -109.383 -231.574 -150.738 -32.7186 -285.655 -147.807 -257.819 -105.601 PRESSAVG: 2015400 98.7159 -8.6262 -54.906 -8.62618 9.58708 -47.878 -54.906 -47.878 -72.4148 GPRESSAVG: 2015400 98.4503 -11.3659 -52.704 -7.42908 10.6515 -49.0021 -55.6965 -46.6341 -73.0289 TIMING: 2015400 CPU: 5848.43, 0.00286671/step Wall: 5848.43, 0.00286671/step, 2.37666 hours remaining, 206.078125 MB of memory in use. ENERGY: 2015400 734.9621 2046.3180 1969.4392 114.1118 -205724.7525 17418.7662 0.0000 0.0000 34081.6294 -149359.5258 297.6433 -183441.1552 -149267.6015 298.6566 -103.6018 -74.8826 557266.3490 11.9627 12.0243 PRESSURE: 2015600 23.7898 44.0367 130.97 44.036 -15.7464 -74.9217 130.972 -74.9198 -142.661 GPRESSURE: 2015600 57.942 54.2291 188.014 47.2297 17.7136 -65.3202 35.1407 -15.7185 -109.663 PRESSAVG: 2015600 57.3292 -76.9953 -23.4908 -76.9953 1.35887 -21.8029 -23.4907 -21.8029 -46.3926 GPRESSAVG: 2015600 57.3108 -75.1986 -23.0333 -78.4487 0.576164 -23.2382 -24.8406 -21.6669 -45.6185 TIMING: 2015600 CPU: 5849, 0.00287242/step Wall: 5849, 0.00287242/step, 2.38124 hours remaining, 206.078125 MB of memory in use. ENERGY: 2015600 719.8411 1967.5371 1987.5470 130.4933 -205927.4589 17658.3031 0.0000 0.0000 34016.5150 -149447.2225 297.0747 -183463.7374 -149351.6839 298.3496 -44.8727 -11.3359 556940.5814 4.0985 4.0895 PRESSURE: 2015800 162.876 -31.4201 -53.3892 -31.4199 -284.95 -19.394 -53.3892 -19.3949 -2.99161 GPRESSURE: 2015800 189.444 -13.0701 -9.63161 -47.0897 -263.612 110.416 -42.7878 -97.9296 71.5077 PRESSAVG: 2015800 16.4115 -18.0912 39.3071 -18.0911 -39.9351 41.7453 39.3071 41.7453 51.7499 GPRESSAVG: 2015800 17.1467 -17.7436 35.7025 -18.2063 -40.0094 44.9574 42.0255 40.0118 51.2697 TIMING: 2015800 CPU: 5849.58, 0.00287277/step Wall: 5849.58, 0.00287277/step, 2.38137 hours remaining, 206.078125 MB of memory in use. ENERGY: 2015800 777.5625 2102.2336 1955.0708 114.9431 -206286.2603 17889.4572 0.0000 0.0000 33957.6588 -149489.3344 296.5607 -183446.9931 -149391.9864 297.8956 -41.6883 -0.8866 557042.3795 9.4088 9.4690 PRESSURE: 2016000 -203.337 -111.113 -41.4734 -111.113 -51.4138 -142.67 -41.4737 -142.67 -103.9 GPRESSURE: 2016000 -181.577 -79.3645 30.1247 -106.035 -57.8398 -138.558 -98.1901 -134.931 -33.1493 PRESSAVG: 2016000 21.5675 -25.51 -8.83731 -25.51 -60.3586 10.0322 -8.83721 10.0322 49.0447 GPRESSAVG: 2016000 20.4105 -24.6324 -7.27652 -25.6554 -60.5243 7.72891 -9.14627 12.2431 50.3375 TIMING: 2016000 CPU: 5850.15, 0.00287752/step Wall: 5850.15, 0.00287752/step, 2.38514 hours remaining, 206.078125 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: 2016000 737.7335 2138.5372 1984.3089 111.4592 -206023.7817 17509.7439 0.0000 0.0000 33960.0227 -149581.9762 296.5813 -183541.9990 -149488.1886 297.5854 -119.5502 -90.8553 556091.0584 3.4179 3.4079 PRESSURE: 2016200 105.101 36.0373 -50.0607 36.0363 -8.86379 236.517 -50.0611 236.516 210.893 GPRESSURE: 2016200 114.614 -44.6099 -47.3134 -10.0853 56.3153 223.698 -115.493 261.103 227.309 PRESSAVG: 2016200 8.79034 -16.3212 8.87526 -16.3214 22.3285 10.1875 8.87527 10.1874 27.5636 GPRESSAVG: 2016200 9.11609 -16.6016 8.68376 -15.598 22.5239 8.57695 7.52052 10.7243 26.4983 TIMING: 2016200 CPU: 5850.73, 0.00288956/step Wall: 5850.73, 0.00288956/step, 2.39496 hours remaining, 206.078125 MB of memory in use. ENERGY: 2016200 736.5540 2083.9666 1940.5664 117.8897 -206804.0436 18107.6990 0.0000 0.0000 34234.1569 -149583.2109 298.9754 -183817.3678 -149495.3056 297.9086 102.3765 132.7461 556708.6469 19.5608 19.3794 LDB: ============= START OF LOAD BALANCING ============== 5854.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5854.19 LDB: =============== DONE WITH MIGRATION ================ 5854.19 LDB: ============= START OF LOAD BALANCING ============== 5854.48 LDB: Largest compute 4820 load 0.028582 is 24.3% of average load 0.117854 LDB: Average compute 0.001713 is 1.5% of average load 0.117854 LDB: TIME 5854.48 LOAD: AVG 0.117854 MAX 0.179559 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 5854.48 LOAD: AVG 0.117854 MAX 0.179559 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: TIME 5854.48 LOAD: AVG 0.117854 MAX 0.179559 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.52 MB LDB: ============== END OF LOAD BALANCING =============== 5854.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5854.49 PRESSURE: 2016400 -32.3701 -11.3672 244.278 -11.3671 -209.502 77.4913 244.279 77.4923 56.2943 GPRESSURE: 2016400 17.8565 80.2091 224.156 -48.2832 -227.177 -12.1473 256.922 168.933 125.14 PRESSAVG: 2016400 16.2588 15.5791 7.89336 15.5791 15.6548 -5.72306 7.89327 -5.72316 -19.1167 GPRESSAVG: 2016400 15.21 14.5335 9.0291 15.8094 15.4395 -5.6487 8.38247 -6.70196 -18.1092 TIMING: 2016400 CPU: 5851.32, 0.00293335/step Wall: 5851.32, 0.00293335/step, 2.4311 hours remaining, 207.281250 MB of memory in use. ENERGY: 2016400 751.6934 2106.2422 1974.5065 102.0921 -206425.2868 17851.1143 0.0000 0.0000 34204.6669 -149434.9714 298.7179 -183639.6383 -149336.9519 298.4710 -61.8593 -28.0600 557147.5682 4.2656 4.1801 PRESSURE: 2016600 -18.4369 93.8051 144.398 93.8049 -27.7751 95.4087 144.399 95.4083 -110.229 GPRESSURE: 2016600 21.7668 58.0229 118.889 145.327 -32.9121 153.938 152.078 81.4956 -64.9617 PRESSAVG: 2016600 -8.93943 3.35981 24.4976 3.3598 24.8867 -0.212043 24.4976 -0.212105 -26.0698 GPRESSAVG: 2016600 -8.35304 3.09383 27.238 2.95431 25.1041 3.17025 22.4952 -1.17564 -26.4864 TIMING: 2016600 CPU: 5851.89, 0.00286539/step Wall: 5851.89, 0.00286539/step, 2.37461 hours remaining, 207.281250 MB of memory in use. ENERGY: 2016600 771.8458 2104.8749 1971.4916 115.1634 -206263.7616 17722.2499 0.0000 0.0000 34138.9758 -149439.1602 298.1442 -183578.1360 -149349.9338 298.2868 -52.1472 -25.3690 556751.7042 -3.3742 -3.2451 PRESSURE: 2016800 108.378 53.5175 -129.717 53.5166 96.2147 -142.602 -129.718 -142.602 -8.94772 GPRESSURE: 2016800 184.928 95.9982 -64.9419 18.7643 122.056 -192.898 -122.541 -242.415 -3.86198 PRESSAVG: 2016800 4.6987 -15.4949 -18.8846 -15.4949 48.6308 -24.0307 -18.8847 -24.0306 -34.4141 GPRESSAVG: 2016800 5.00961 -14.9763 -19.8383 -14.9238 48.271 -26.2028 -19.421 -24.0092 -34.8101 TIMING: 2016800 CPU: 5852.46, 0.00286272/step Wall: 5852.46, 0.00286272/step, 2.37224 hours remaining, 207.281250 MB of memory in use. ENERGY: 2016800 789.8731 2079.7949 1949.3402 109.4184 -206715.6984 18116.3710 0.0000 0.0000 34321.6540 -149349.2469 299.7395 -183670.9009 -149254.8169 298.4744 65.2149 101.0407 556485.7067 6.3051 6.1568 PRESSURE: 2017000 -258.371 -22.4983 70.6863 -22.499 -201.896 -30.7482 70.6866 -30.7479 -256.979 GPRESSURE: 2017000 -226.229 26.4138 124.466 -39.5229 -160.788 -32.0158 38.5834 47.9752 -241.442 PRESSAVG: 2017000 -22.5879 -51.6458 78.3216 -51.6459 22.365 19.7506 78.3215 19.7506 8.59316 GPRESSAVG: 2017000 -22.376 -52.5867 78.5834 -50.8533 22.3272 19.7646 79.7254 19.3129 8.45333 TIMING: 2017000 CPU: 5853.04, 0.00287287/step Wall: 5853.04, 0.00287287/step, 2.38049 hours remaining, 207.281250 MB of memory in use. ENERGY: 2017000 742.6289 2107.6704 1942.5258 112.3150 -205869.4700 17451.3101 0.0000 0.0000 33990.2572 -149522.7627 296.8454 -183513.0200 -149428.1238 298.1966 -239.0820 -209.4863 558996.5433 2.7901 2.8015 PRESSURE: 2017200 110.446 79.8501 -6.44621 79.8513 115.299 -14.6975 -6.44517 -14.6978 30.9024 GPRESSURE: 2017200 117.175 99.3001 9.62176 50.0035 135.279 -72.9596 -37.8133 7.34284 93.2992 PRESSAVG: 2017200 4.83819 -17.1419 59.857 -17.1419 36.9437 -17.4634 59.8569 -17.4633 -17.3729 GPRESSAVG: 2017200 4.0264 -14.2669 59.4278 -19.6267 37.6241 -16.3245 58.4649 -16.7287 -17.4806 TIMING: 2017200 CPU: 5853.61, 0.00286892/step Wall: 5853.61, 0.00286892/step, 2.37706 hours remaining, 207.515625 MB of memory in use. ENERGY: 2017200 792.2290 2125.7024 1969.8821 117.9474 -206894.0394 18277.6679 0.0000 0.0000 34138.6758 -149471.9349 298.1415 -183610.6106 -149379.8156 297.6633 85.5491 115.2510 557604.2263 8.1363 8.0566 PRESSURE: 2017400 -148.318 -108.981 14.9817 -108.98 -97.9784 -12.7752 14.9816 -12.7759 -84.8175 GPRESSURE: 2017400 -110.947 -94.9647 -10.8609 -172.301 -86.0378 -80.0545 36.3073 42.4337 -32.3906 PRESSAVG: 2017400 -11.92 -10.8856 -36.3519 -10.8856 -16.9918 45.0168 -36.352 45.0167 -11.1341 GPRESSAVG: 2017400 -11.3612 -14.0805 -35.6916 -7.64807 -15.879 45.63 -36.194 45.2834 -12.8511 TIMING: 2017400 CPU: 5854.18, 0.00287428/step Wall: 5854.18, 0.00287428/step, 2.38134 hours remaining, 207.722656 MB of memory in use. ENERGY: 2017400 721.2234 2122.5634 1955.9550 108.4155 -205843.2265 17378.2611 0.0000 0.0000 34045.3883 -149511.4199 297.3268 -183556.8082 -149420.2103 298.2059 -110.3714 -76.4586 557496.8833 -13.3486 -13.3638 PRESSURE: 2017600 -34.8264 78.6489 -210.752 78.6482 -152.571 -131.767 -210.753 -131.768 -100.122 GPRESSURE: 2017600 -18.1497 -9.11179 -206.252 99.4124 -84.2425 -262.291 -253.736 -71.759 -87.0806 PRESSAVG: 2017600 16.7152 -18.4607 37.5864 -18.4606 -4.50377 -1.80497 37.5862 -1.80499 -24.2459 GPRESSAVG: 2017600 16.788 -15.9386 34.8687 -22.0125 -5.4011 -4.82543 37.582 -0.450776 -23.5096 TIMING: 2017600 CPU: 5854.76, 0.00288148/step Wall: 5854.76, 0.00288148/step, 2.38714 hours remaining, 207.722656 MB of memory in use. ENERGY: 2017600 738.9220 2077.4146 1958.1326 111.0225 -206402.8838 17701.9329 0.0000 0.0000 34229.5470 -149585.9124 298.9351 -183815.4593 -149490.4999 298.4161 -95.8395 -63.1576 558799.0814 -4.0115 -4.0409 PRESSURE: 2017800 66.7012 95.8232 92.1947 95.8233 -229.287 -235.261 92.1953 -235.261 72.6709 GPRESSURE: 2017800 98.3718 136.515 40.4181 88.8359 -237.193 -187.966 132.261 -325.191 149.262 PRESSAVG: 2017800 50.0313 -39.1962 7.53536 -39.196 -19.9788 -23.9424 7.53533 -23.9424 -1.95547 GPRESSAVG: 2017800 48.8297 -41.8238 9.99959 -35.9358 -20.4025 -19.9783 6.9179 -27.0453 -0.475122 TIMING: 2017800 CPU: 5855.34, 0.00289675/step Wall: 5855.34, 0.00289675/step, 2.39964 hours remaining, 207.722656 MB of memory in use. ENERGY: 2017800 792.6774 2086.1054 1980.9739 126.7810 -206754.8720 17997.0387 0.0000 0.0000 34188.1537 -149583.1420 298.5736 -183771.2957 -149488.4561 298.6544 -29.9715 3.4802 558115.0635 9.3657 9.3174 PRESSURE: 2018000 195.664 -143.509 -32.6649 -143.508 164.061 193.011 -32.6635 193.011 50.6325 GPRESSURE: 2018000 251.102 -213.329 11.1801 -80.2002 173.362 193.517 -72.084 203.687 91.8512 PRESSAVG: 2018000 -17.9285 -25.5118 23.4594 -25.5118 -40.7712 17.456 23.4595 17.456 36.0785 GPRESSAVG: 2018000 -17.9293 -24.3981 19.8202 -27.5197 -40.6688 15.2371 25.5088 19.4892 35.3394 TIMING: 2018000 CPU: 5855.92, 0.00288545/step Wall: 5855.92, 0.00288545/step, 2.39011 hours remaining, 207.722656 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: 2018000 703.4368 2094.2302 1936.9107 110.8381 -206442.6180 17982.7000 0.0000 0.0000 34063.8012 -149550.7009 297.4876 -183614.5021 -149459.0346 298.3785 136.7856 172.1053 556433.8854 -7.5404 -7.7529 PRESSURE: 2018200 67.875 -43.3891 179.314 -43.389 -35.898 -175.38 179.313 -175.379 -276.393 GPRESSURE: 2018200 86.8085 -12.2675 94.8122 -60.4148 37.3558 -84.3616 162.206 -173.148 -259.617 PRESSAVG: 2018200 -5.50337 -34.652 23.2585 -34.6521 -16.396 -7.48254 23.2585 -7.48263 31.2318 GPRESSAVG: 2018200 -5.41514 -31.8708 24.3577 -34.5515 -16.0039 -5.9366 22.721 -7.92588 30.4892 TIMING: 2018200 CPU: 5856.5, 0.00289239/step Wall: 5856.5, 0.00289239/step, 2.39571 hours remaining, 207.722656 MB of memory in use. ENERGY: 2018200 752.3446 2068.7173 1969.7501 101.4925 -206475.1802 17817.3676 0.0000 0.0000 34240.6723 -149524.8358 299.0323 -183765.5081 -149419.6667 298.0302 -81.4720 -45.1509 557556.2627 3.1108 3.0234 PRESSURE: 2018400 156.556 -105.97 -119.344 -105.969 -102.135 -28.2306 -119.344 -28.2302 -14.2525 GPRESSURE: 2018400 195.242 -106.818 -144.031 -108.066 -71.3867 -40.7288 -109.18 -119.814 11.4185 PRESSAVG: 2018400 16.7141 -24.1659 47.1432 -24.1659 -19.9094 3.15714 47.1433 3.15705 31.362 GPRESSAVG: 2018400 17.5656 -25.8158 46.8711 -25.0017 -20.8246 2.78036 48.0023 1.20545 31.1068 TIMING: 2018400 CPU: 5857.07, 0.00288542/step Wall: 5857.07, 0.00288542/step, 2.38977 hours remaining, 207.722656 MB of memory in use. ENERGY: 2018400 724.6620 2096.2921 1936.4426 107.6521 -206307.9532 17733.4105 0.0000 0.0000 34170.1737 -149539.3202 298.4166 -183709.4939 -149437.8028 298.3603 13.3896 45.0912 556853.4153 9.3889 9.2826 PRESSURE: 2018600 287.495 -9.80745 -44.5504 -9.8082 69.3441 -97.3023 -44.551 -97.3035 156.707 GPRESSURE: 2018600 317.019 -39.6243 -30.9198 -15.7947 144.046 -134.28 -58.1527 -77.6072 160.063 PRESSAVG: 2018600 -6.21115 -43.1082 -52.4863 -43.1082 19.9379 9.11066 -52.4863 9.11081 -11.3106 GPRESSAVG: 2018600 -6.14168 -42.8848 -50.1767 -42.8563 20.6415 8.78648 -50.8874 12.0945 -11.9211 TIMING: 2018600 CPU: 5857.65, 0.0028759/step Wall: 5857.65, 0.0028759/step, 2.38173 hours remaining, 207.722656 MB of memory in use. ENERGY: 2018600 719.9180 2092.2919 2001.8778 125.4109 -206613.2822 17965.2944 0.0000 0.0000 34125.8239 -149582.6652 298.0293 -183708.4892 -149477.3500 298.4857 171.1820 207.0427 554510.1102 0.8054 0.8595 PRESSURE: 2018800 44.4047 -49.1095 -70.4923 -49.1096 28.1506 51.001 -70.4922 51.0002 -113.223 GPRESSURE: 2018800 37.1115 -65.2386 -55.5939 -7.11739 37.7326 35.0311 -34.5831 98.988 -16.9605 PRESSAVG: 2018800 20.5295 -5.67281 19.8933 -5.67272 28.4173 -20.2631 19.8933 -20.263 -35.2056 GPRESSAVG: 2018800 19.5013 -5.17574 16.7017 -5.83994 27.5691 -20.3731 18.8888 -20.7306 -34.2842 TIMING: 2018800 CPU: 5858.23, 0.0028877/step Wall: 5858.23, 0.0028877/step, 2.39133 hours remaining, 207.722656 MB of memory in use. ENERGY: 2018800 741.2695 2083.5626 1960.8653 106.4806 -206470.7956 17765.0573 0.0000 0.0000 34261.7748 -149551.7855 299.2166 -183813.5603 -149459.5042 298.5886 -13.5558 19.2945 556085.1316 4.5804 4.2621 PRESSURE: 2019000 38.9453 -62.5117 -92.0217 -62.5114 -78.4439 32.3043 -92.0216 32.3043 34.0606 GPRESSURE: 2019000 71.8226 -41.6453 -67.0421 -48.2939 -17.74 32.6868 -47.7077 -9.59523 41.6913 PRESSAVG: 2019000 54.1759 -52.4355 18.8841 -52.4355 -3.1932 63.3688 18.8841 63.3688 14.3162 GPRESSAVG: 2019000 55.1658 -54.2009 20.5794 -52.1938 -2.12831 64.3457 19.1517 62.0229 11.9911 TIMING: 2019000 CPU: 5858.8, 0.00286301/step Wall: 5858.8, 0.00286301/step, 2.37073 hours remaining, 207.722656 MB of memory in use. ENERGY: 2019000 755.3432 2088.7197 1931.4027 113.3855 -206405.7897 17860.9768 0.0000 0.0000 34317.2302 -149338.7317 299.7009 -183655.9619 -149240.3076 299.2530 -1.8127 31.9246 557516.1430 21.7663 21.6762 PRESSURE: 2019200 162.293 -141.744 52.75 -141.745 -1.29337 -9.93069 52.7497 -9.93211 105.494 GPRESSURE: 2019200 187.884 -153.117 70.835 -136.413 9.31696 -13.8037 8.72758 32.5619 151.069 PRESSAVG: 2019200 -35.6019 -28.372 -37.552 -28.372 -1.37824 41.7987 -37.5521 41.7985 -6.59434 GPRESSAVG: 2019200 -36.3261 -27.1038 -36.9853 -30.6922 -1.00019 41.7839 -37.5535 42.6394 -6.60753 TIMING: 2019200 CPU: 5859.37, 0.00286953/step Wall: 5859.37, 0.00286953/step, 2.37597 hours remaining, 207.722656 MB of memory in use. ENERGY: 2019200 725.1039 2086.9196 1979.3569 113.5586 -206311.6369 18043.0354 0.0000 0.0000 33874.2158 -149489.4467 295.8320 -183363.6625 -149396.8598 298.2312 88.8310 116.0899 557784.4007 -14.5248 -14.6446 PRESSURE: 2019400 257.565 -108.751 106.618 -108.75 52.1532 -37.564 106.617 -37.5636 202.849 GPRESSURE: 2019400 304.042 -82.255 159.386 -165.555 24.7078 -75.2686 118.536 -34.8075 262.172 PRESSAVG: 2019400 23.6964 -10.7523 10.4865 -10.7524 -49.6442 0.339254 10.4864 0.339192 38.4575 GPRESSAVG: 2019400 24.8343 -10.4779 9.67251 -10.5799 -50.8602 -2.8612 11.1948 1.07045 38.7176 TIMING: 2019400 CPU: 5859.94, 0.00285873/step Wall: 5859.94, 0.00285873/step, 2.36687 hours remaining, 207.722656 MB of memory in use. ENERGY: 2019400 728.6026 2048.7869 1976.9582 113.8558 -206447.0820 17996.0196 0.0000 0.0000 34293.5307 -149289.3282 299.4939 -183582.8589 -149188.2989 298.6746 170.8557 196.9738 556957.8243 4.1699 4.2306 PRESSURE: 2019600 -28.9981 -30.737 69.0043 -30.7372 59.5416 7.73032 69.004 7.72981 -114.894 GPRESSURE: 2019600 -19.7133 -60.9138 147.646 -21.5518 127.042 96.4988 0.278421 -32.3816 -91.7021 PRESSAVG: 2019600 28.6074 2.61029 16.0625 2.6103 44.0005 32.803 16.0624 32.803 -73.669 GPRESSAVG: 2019600 27.8322 1.3528 17.1894 2.97262 43.4036 35.6509 16.5693 30.181 -72.676 TIMING: 2019600 CPU: 5860.52, 0.00287385/step Wall: 5860.52, 0.00287385/step, 2.37923 hours remaining, 207.722656 MB of memory in use. ENERGY: 2019600 717.3862 2082.6007 1967.7370 112.1611 -205768.5599 17565.6890 0.0000 0.0000 34195.7338 -149127.2523 298.6398 -183322.9861 -149033.8779 299.1167 -28.1170 5.2090 557945.2812 -0.3537 -0.4801 PRESSURE: 2019800 109.055 -191.651 25.7782 -191.651 233.024 9.41768 25.7788 9.41851 101.002 GPRESSURE: 2019800 117.387 -143.703 22.8435 -141.284 314.611 11.6362 2.8155 4.27884 109.999 PRESSAVG: 2019800 -15.0126 -45.6214 63.5546 -45.6214 88.4869 -3.91586 63.5546 -3.91581 -37.9414 GPRESSAVG: 2019800 -15.7003 -44.4326 60.7963 -45.0919 89.0384 -4.92125 63.881 -2.62832 -38.2794 TIMING: 2019800 CPU: 5861.09, 0.00286963/step Wall: 5861.09, 0.00286963/step, 2.37557 hours remaining, 207.722656 MB of memory in use. ENERGY: 2019800 696.0355 2065.4017 1966.6727 122.0738 -206200.8100 18067.4097 0.0000 0.0000 33974.3107 -149308.9057 296.7061 -183283.2165 -149203.8261 299.0628 147.6935 180.6657 558473.0699 11.8443 11.6862 PRESSURE: 2020000 21.3414 -54.2774 73.6738 -54.2776 294.053 130.445 73.6738 130.445 25.1839 GPRESSURE: 2020000 63.6243 -56.4987 53.1488 -92.2588 310.051 120.69 23.5929 191.826 53.9765 PRESSAVG: 2020000 -22.9667 -19.2802 36.5691 -19.2803 19.9482 -4.33502 36.569 -4.33495 36.485 GPRESSAVG: 2020000 -22.3252 -21.2369 38.9885 -18.3985 19.8361 -5.02153 38.0785 -2.83278 35.621 TIMING: 2020000 CPU: 5861.67, 0.00288229/step Wall: 5861.67, 0.00288229/step, 2.3859 hours remaining, 207.722656 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: 2020000 744.9195 2089.0756 1959.6771 127.6717 -206338.9221 17926.9915 0.0000 0.0000 34249.6937 -149240.8931 299.1111 -183490.5868 -149148.2996 298.6156 113.5263 142.5508 556449.1431 11.1555 11.0440 PRESSURE: 2020200 -38.4175 -83.7522 22.2557 -83.7518 285.75 -21.7656 22.2569 -21.7645 189.819 GPRESSURE: 2020200 -0.951833 -46.8378 -12.4756 -129.703 333.024 -41.0269 23.372 -57.354 197.511 PRESSAVG: 2020200 -55.9367 -11.8091 -2.25332 -11.8091 -37.1438 -21.6674 -2.2533 -21.6674 55.0163 GPRESSAVG: 2020200 -56.7772 -10.0199 -1.49784 -12.4934 -36.239 -21.2818 -5.43322 -22.1313 55.0406 TIMING: 2020200 CPU: 5862.24, 0.00287937/step Wall: 5862.24, 0.00287937/step, 2.38332 hours remaining, 207.722656 MB of memory in use. ENERGY: 2020200 743.2030 2086.5741 1950.0103 116.3648 -206318.0161 18207.0501 0.0000 0.0000 33903.3668 -149311.4468 296.0865 -183214.8137 -149218.5940 298.0041 145.7170 176.5276 558009.2426 -12.6881 -12.6585 LDB: ============= START OF LOAD BALANCING ============== 5865.71 LDB: ============== END OF LOAD BALANCING =============== 5865.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5865.71 LDB: ============= START OF LOAD BALANCING ============== 5866 LDB: Largest compute 4820 load 0.028964 is 24.6% of average load 0.117762 LDB: Average compute 0.001720 is 1.5% of average load 0.117762 LDB: TIME 5866 LOAD: AVG 0.117762 MAX 0.178586 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.953 MB LDB: TIME 5866 LOAD: AVG 0.117762 MAX 0.178586 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: TIME 5866 LOAD: AVG 0.117762 MAX 0.178586 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5866 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5866.01 PRESSURE: 2020400 117.54 87.3193 180.334 87.319 -346.273 -48.8778 180.333 -48.877 152.215 GPRESSURE: 2020400 211.988 80.4643 143.185 105.586 -344.089 -114.638 191.761 8.19443 157.752 PRESSAVG: 2020400 16.8449 -13.1356 49.8655 -13.1356 -23.0673 17.8126 49.8654 17.8126 50.4262 GPRESSAVG: 2020400 16.2722 -12.7584 47.7551 -14.0645 -23.1945 18.6295 53.6437 16.6447 50.9311 TIMING: 2020400 CPU: 5862.83, 0.00293017/step Wall: 5862.83, 0.00293016/step, 2.4252 hours remaining, 206.968750 MB of memory in use. ENERGY: 2020400 760.1424 2047.3983 1948.7570 118.4468 -206300.0702 17924.5188 0.0000 0.0000 34187.0050 -149313.8018 298.5636 -183500.8068 -149210.7396 298.1563 -25.5063 8.5504 557622.7925 14.7346 14.6696 PRESSURE: 2020600 -197.551 -26.8214 -113.003 -26.8201 30.4036 117.144 -113.004 117.143 -190.394 GPRESSURE: 2020600 -182.08 -60.0226 -64.8234 -99.7744 51.7901 80.5978 -91.7894 147.071 -135.295 PRESSAVG: 2020600 -37.0919 -13.0302 -32.4428 -13.0301 5.3863 11.2475 -32.4427 11.2475 0.140733 GPRESSAVG: 2020600 -35.022 -13.7452 -33.0009 -12.1541 4.57963 12.1803 -33.7255 12.9886 -0.643426 TIMING: 2020600 CPU: 5863.41, 0.00288289/step Wall: 5863.41, 0.00288289/step, 2.38591 hours remaining, 207.171875 MB of memory in use. ENERGY: 2020600 760.5635 2102.6157 1949.3245 109.2721 -206157.5319 17738.9175 0.0000 0.0000 34279.4792 -149217.3594 299.3712 -183496.8386 -149117.6403 299.1041 -119.1805 -88.5283 557644.7625 -10.5216 -10.3619 PRESSURE: 2020800 -136.882 66.1621 -14.3 66.1635 -63.8566 -107.981 -14.3005 -107.98 -401.975 GPRESSURE: 2020800 -93.3173 61.3365 66.0533 104.78 -102.568 -104.028 -96.2743 -130.207 -311.924 PRESSAVG: 2020800 8.15603 1.95481 27.1301 1.95484 16.6849 60.6113 27.1302 60.6113 -39.5124 GPRESSAVG: 2020800 7.00304 1.79598 29.59 2.15127 16.8181 59.5526 25.8223 57.9567 -38.4216 TIMING: 2020800 CPU: 5863.98, 0.00287904/step Wall: 5863.98, 0.00287904/step, 2.38257 hours remaining, 207.316406 MB of memory in use. ENERGY: 2020800 771.8248 2104.8580 1945.8219 119.5321 -206083.3563 17626.6550 0.0000 0.0000 34228.9138 -149285.7509 298.9296 -183514.6647 -149185.7815 299.3485 -200.9048 -169.2699 557460.2324 -4.8905 -4.8668 PRESSURE: 2021000 179.219 -65.7503 -60.825 -65.7504 -63.8947 6.74172 -60.8253 6.74165 -151.659 GPRESSURE: 2021000 229.818 -25.6141 -98.2293 -100.415 -51.9713 -12.5408 -10.6281 43.9443 -110.522 PRESSAVG: 2021000 99.0804 -72.0166 -34.9071 -72.0166 -27.5445 28.9414 -34.9071 28.9413 -77.0119 GPRESSAVG: 2021000 99.558 -71.7695 -34.9374 -72.3944 -28.2357 28.5878 -33.5195 29.872 -76.6973 TIMING: 2021000 CPU: 5864.56, 0.00287393/step Wall: 5864.56, 0.00287393/step, 2.37818 hours remaining, 207.316406 MB of memory in use. ENERGY: 2021000 747.5172 2075.4463 1978.1362 114.5236 -206346.4195 17810.2611 0.0000 0.0000 34120.2282 -149500.3069 297.9804 -183620.5351 -149402.2425 298.7086 -12.1116 22.4416 556709.3919 -1.8253 -1.7917 PRESSURE: 2021200 -353.012 -46.6957 -36.4512 -46.6954 -72.7833 -61.7458 -36.4505 -61.7451 -214.893 GPRESSURE: 2021200 -290.138 -37.0675 -56.1414 -37.3589 -33.9855 -87.467 -23.5483 -98.6711 -221.175 PRESSAVG: 2021200 -8.23849 -77.0684 4.41502 -77.0683 -95.5481 -17.6547 4.41498 -17.6548 57.0682 GPRESSAVG: 2021200 -8.4684 -73.6761 3.30179 -76.8793 -94.3018 -16.8183 2.80359 -20.6156 56.4072 TIMING: 2021200 CPU: 5865.13, 0.00286689/step Wall: 5865.13, 0.00286689/step, 2.37219 hours remaining, 207.316406 MB of memory in use. ENERGY: 2021200 807.1714 2115.6034 1952.9534 117.0694 -206277.1789 17664.8562 0.0000 0.0000 34175.5018 -149444.0233 298.4632 -183619.5251 -149346.8644 298.2573 -213.5628 -181.7661 558413.2080 -15.5728 -15.4544 PRESSURE: 2021400 -58.8372 140.415 175.456 140.414 -271.638 112.232 175.456 112.231 -11.6129 GPRESSURE: 2021400 -33.6533 195.326 247.384 60.4445 -253.727 127.705 168.721 222.857 43.6974 PRESSAVG: 2021400 -2.04424 -11.1416 68.0844 -11.1417 -12.9717 -33.2168 68.0844 -33.2169 -8.25296 GPRESSAVG: 2021400 -2.36142 -13.0361 67.9189 -10.8872 -14.0031 -36.3172 68.6578 -28.7296 -7.06096 TIMING: 2021400 CPU: 5865.71, 0.00288266/step Wall: 5865.71, 0.00288266/step, 2.38508 hours remaining, 207.316406 MB of memory in use. ENERGY: 2021400 776.0496 2040.0791 1951.6410 118.4824 -206253.7145 17798.7673 0.0000 0.0000 33966.4221 -149602.2731 296.6372 -183568.6952 -149501.6254 298.6628 -114.0294 -81.2276 559982.5672 -7.7563 -7.8085 PRESSURE: 2021600 73.2245 139.93 -6.69847 139.93 -315.568 -88.0081 -6.6989 -88.0075 -37.8958 GPRESSURE: 2021600 54.0611 134.88 9.49914 156.29 -244.02 -90.0054 25.7997 -80.0704 5.2151 PRESSAVG: 2021600 -86.4122 13.403 34.7161 13.4029 -18.6489 28.7836 34.7161 28.7836 77.7362 GPRESSAVG: 2021600 -87.0628 11.541 33.3189 15.1489 -18.0522 27.7393 36.4963 28.7426 77.3125 TIMING: 2021600 CPU: 5866.29, 0.00289567/step Wall: 5866.29, 0.00289567/step, 2.39568 hours remaining, 207.316406 MB of memory in use. ENERGY: 2021600 766.4069 2105.3128 1965.2945 112.3010 -206715.4377 17929.5426 0.0000 0.0000 34189.4418 -149647.1382 298.5849 -183836.5800 -149553.4311 298.6580 -93.4130 -61.5812 556722.6711 -9.1083 -9.2675 PRESSURE: 2021800 4.14871 91.131 -3.59272 91.1311 389.023 341.045 -3.59294 341.044 217.055 GPRESSURE: 2021800 56.9059 88.8758 -25.3489 110.156 346.16 325.524 38.2753 352.117 307.128 PRESSAVG: 2021800 -16.0495 38.0429 -44.4156 38.0429 -4.33101 1.94557 -44.4156 1.94553 2.36356 GPRESSAVG: 2021800 -15.4325 38.6121 -43.1673 37.2454 -4.38731 5.14557 -43.925 -0.520815 2.01621 TIMING: 2021800 CPU: 5866.86, 0.00288418/step Wall: 5866.86, 0.00288418/step, 2.38602 hours remaining, 207.316406 MB of memory in use. ENERGY: 2021800 754.3026 2078.3076 1957.3533 112.7248 -207124.3367 18376.0151 0.0000 0.0000 34320.9524 -149524.6809 299.7334 -183845.6333 -149426.7992 298.6098 203.4089 236.7314 556567.1077 -6.0057 -5.9345 PRESSURE: 2022000 -32.8112 -1.64527 11.6407 -1.64441 -75.2033 61.9076 11.6396 61.9081 240.364 GPRESSURE: 2022000 -41.837 -76.9633 -19.7168 15.8738 27.8128 0.298277 76.9804 92.496 260.132 PRESSAVG: 2022000 3.52874 34.7122 -34.594 34.7122 16.0001 16.4579 -34.594 16.4579 34.6012 GPRESSAVG: 2022000 3.30868 34.1251 -35.3526 35.2289 17.6922 16.5215 -35.0804 17.9756 33.6149 TIMING: 2022000 CPU: 5867.44, 0.00287418/step Wall: 5867.44, 0.00287418/step, 2.37758 hours remaining, 207.316406 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: 2022000 760.4790 2104.6302 1966.7579 131.5031 -206554.4817 18131.5289 0.0000 0.0000 34232.0964 -149227.4863 298.9574 -183459.5827 -149132.4175 299.2885 44.1164 82.0359 559341.9370 18.0434 18.2053 PRESSURE: 2022200 245.509 -114.308 49.552 -114.308 90.2589 -9.55265 49.5532 -9.55272 -76.9833 GPRESSURE: 2022200 273.415 -138.625 2.11776 -55.1876 58.3689 -9.94889 36.1316 -127.768 23.1686 PRESSAVG: 2022200 24.6254 5.088 15.2687 5.08804 4.54284 70.0485 15.2687 70.0484 -17.9629 GPRESSAVG: 2022200 24.0011 5.33539 15.8428 5.74928 4.55644 70.2716 14.758 68.746 -17.3859 TIMING: 2022200 CPU: 5868.01, 0.00288227/step Wall: 5868.01, 0.00288227/step, 2.38412 hours remaining, 207.316406 MB of memory in use. ENERGY: 2022200 736.0155 2098.4512 1929.3686 112.9764 -206475.8104 17967.5363 0.0000 0.0000 34386.4589 -149245.0034 300.3055 -183631.4624 -149146.2800 299.3534 86.2614 118.3177 557990.7749 3.7351 3.7239 PRESSURE: 2022400 134.449 -67.8231 248.222 -67.8213 -96.0353 -220.648 248.222 -220.649 326.752 GPRESSURE: 2022400 128.023 -150.536 324.271 -67.621 -13.9829 -258.284 187.006 -197.05 358.377 PRESSAVG: 2022400 46.2514 -18.0548 14.447 -18.0548 -39.1542 -2.98736 14.4469 -2.98742 -6.48791 GPRESSAVG: 2022400 45.7276 -18.6145 12.5585 -19.1289 -40.3356 -3.05526 14.1357 -3.4063 -5.25116 TIMING: 2022400 CPU: 5868.59, 0.00285584/step Wall: 5868.59, 0.00285584/step, 2.3621 hours remaining, 207.316406 MB of memory in use. ENERGY: 2022400 781.4321 2105.5253 1961.0813 109.5405 -206581.1344 18066.4462 0.0000 0.0000 34018.5185 -149538.5905 297.0922 -183557.1090 -149449.4829 298.8989 121.7221 157.4725 555209.3721 0.2031 0.0470 PRESSURE: 2022600 -123.039 -139.432 129.539 -139.433 8.24907 168.59 129.539 168.59 178.806 GPRESSURE: 2022600 -108.088 -145.464 151.969 -167.377 80.2923 218.525 144.658 145.163 178.593 PRESSAVG: 2022600 -28.1576 -27.0586 55.4108 -27.0586 16.6582 7.18817 55.4109 7.18825 38.4797 GPRESSAVG: 2022600 -26.8915 -27.1635 57.319 -29.0434 16.6407 7.04282 54.5549 8.5146 37.251 TIMING: 2022600 CPU: 5869.16, 0.00287182/step Wall: 5869.16, 0.00287182/step, 2.37515 hours remaining, 207.316406 MB of memory in use. ENERGY: 2022600 727.2685 2095.9486 1941.6734 126.1312 -206334.3125 17746.2652 0.0000 0.0000 34192.2698 -149504.7560 298.6096 -183697.0257 -149414.3394 298.4099 21.3387 50.2660 556067.8360 8.9935 9.0001 PRESSURE: 2022800 312.071 -128.704 183.704 -128.707 133.424 67.9448 183.702 67.9445 205.493 GPRESSURE: 2022800 292.169 -115.454 187.041 -95.3272 186.069 64.3634 75.0452 114.75 259.147 PRESSAVG: 2022800 -10.2632 -16.5825 40.1687 -16.5827 12.0062 -31.729 40.1686 -31.7289 23.1711 GPRESSAVG: 2022800 -10.9682 -16.2653 39.4171 -14.9394 12.4447 -33.8406 42.115 -31.0502 23.3678 TIMING: 2022800 CPU: 5869.73, 0.00286641/step Wall: 5869.73, 0.00286641/step, 2.37052 hours remaining, 207.316406 MB of memory in use. ENERGY: 2022800 730.3553 2080.2659 1939.8079 102.6760 -206905.6211 18384.6262 0.0000 0.0000 34195.2426 -149472.6471 298.6356 -183667.8897 -149369.8215 298.6272 216.9958 245.7950 557146.1026 8.3047 8.2814 PRESSURE: 2023000 -58.4648 -180.735 135.446 -180.736 -172.944 -131.282 135.444 -131.283 -112.087 GPRESSURE: 2023000 -49.7539 -116.692 200.317 -267.704 -112.003 -194.754 129.459 -57.062 -78.046 PRESSAVG: 2023000 21.131 -48.0411 9.86944 -48.0411 -8.1389 20.6144 9.86938 20.6146 10.2916 GPRESSAVG: 2023000 20.6182 -46.9171 9.60383 -48.8327 -7.40475 20.5968 11.1463 19.756 10.6294 TIMING: 2023000 CPU: 5870.3, 0.00285399/step Wall: 5870.3, 0.00285399/step, 2.36009 hours remaining, 207.316406 MB of memory in use. ENERGY: 2023000 770.6869 2145.4726 1986.0625 126.2826 -206458.2510 17760.2296 0.0000 0.0000 34086.5754 -149582.9414 297.6865 -183669.5168 -149489.8245 298.3375 -114.4988 -79.9341 557155.7421 7.7612 7.9476 PRESSURE: 2023200 -11.8914 51.7568 13.5656 51.7578 -409.052 -72.0526 13.5664 -72.0527 -231.87 GPRESSURE: 2023200 53.5965 72.5806 93.2168 117.804 -363.087 -69.0878 -34.9369 -110.35 -258.402 PRESSAVG: 2023200 76.5609 -101.77 -12.3868 -101.769 -60.1384 -79.5479 -12.3869 -79.5479 -36.8695 GPRESSAVG: 2023200 77.6577 -101.612 -12.6969 -100.811 -61.8232 -77.6249 -15.4357 -81.2208 -36.6629 TIMING: 2023200 CPU: 5870.88, 0.00285715/step Wall: 5870.88, 0.00285715/step, 2.36255 hours remaining, 207.316406 MB of memory in use. ENERGY: 2023200 716.8065 2070.6801 1953.9177 117.9622 -206052.1860 17654.0391 0.0000 0.0000 33893.2653 -149645.5152 295.9983 -183538.7805 -149551.7647 297.7407 -217.6045 -189.2974 559540.4217 -6.8157 -6.9428 PRESSURE: 2023400 230.789 -28.665 171.122 -28.665 38.5833 -20.1975 171.121 -20.1965 -150.843 GPRESSURE: 2023400 255.418 -50.6751 123.301 61.2519 91.5013 -34.626 114.997 96.7788 -123.406 PRESSAVG: 2023400 60.2167 -37.5912 41.783 -37.5912 -47.2376 -59.5573 41.7831 -59.5572 -20.2233 GPRESSAVG: 2023400 59.9783 -37.6099 42.0601 -37.9088 -46.3483 -59.8196 43.3237 -57.1093 -21.1166 TIMING: 2023400 CPU: 5871.45, 0.00287924/step Wall: 5871.45, 0.00287924/step, 2.38065 hours remaining, 207.316406 MB of memory in use. ENERGY: 2023400 730.4505 2085.5119 1944.0717 117.5369 -206291.0923 17929.0318 0.0000 0.0000 33983.9326 -149500.5569 296.7901 -183484.4895 -149408.9875 297.7375 39.5099 74.5045 558739.7175 -2.4147 -2.4956 PRESSURE: 2023600 280.637 128.329 -36.6471 128.328 287.46 -118.809 -36.6474 -118.808 106.198 GPRESSURE: 2023600 352.014 116.843 -61.715 132.268 265.677 -91.7966 68.811 -75.6308 153.701 PRESSAVG: 2023600 18.0879 -59.0803 -7.8353 -59.0804 -12.1257 -4.24811 -7.83528 -4.24795 -24.7699 GPRESSAVG: 2023600 18.2215 -58.0331 -6.75194 -59.8576 -13.5661 -4.53153 -8.96236 -5.02266 -23.7937 TIMING: 2023600 CPU: 5872.03, 0.00287385/step Wall: 5872.03, 0.00287385/step, 2.37603 hours remaining, 207.316406 MB of memory in use. ENERGY: 2023600 739.6492 2113.2700 1984.0795 107.1709 -206706.5657 18137.1827 0.0000 0.0000 34146.2762 -149478.9373 298.2079 -183625.2134 -149389.5563 298.7138 224.7650 257.1307 556644.2993 -6.2692 -6.3795 PRESSURE: 2023800 51.6903 -91.0082 -128.833 -91.008 121.906 39.9255 -128.834 39.9249 26.5738 GPRESSURE: 2023800 86.3703 -49.1226 -169.857 -76.5445 151.754 -78.4979 -83.6497 70.7006 54.2511 PRESSAVG: 2023800 32.5491 -1.86317 9.42014 -1.8632 -37.6864 -37.9853 9.42015 -37.9853 17.8584 GPRESSAVG: 2023800 32.3241 -3.1845 8.4929 0.434585 -37.1691 -37.2086 8.08171 -37.9585 17.4094 TIMING: 2023800 CPU: 5872.6, 0.00286359/step Wall: 5872.6, 0.00286359/step, 2.36739 hours remaining, 207.316406 MB of memory in use. ENERGY: 2023800 718.4824 2089.0848 1970.6347 118.0277 -206303.4794 17808.7286 0.0000 0.0000 34309.9344 -149288.5868 299.6372 -183598.5212 -149201.0180 299.5983 66.7232 97.4586 557860.5186 4.2404 4.1881 PRESSURE: 2024000 106.586 -52.8356 -55.5836 -52.8368 -252.447 -30.0262 -55.5847 -30.0259 60.8116 GPRESSURE: 2024000 102.95 -69.0987 -72.9551 -135.617 -163.414 -8.60368 -107.334 -63.8509 77.6508 PRESSAVG: 2024000 -84.505 7.90562 42.6595 7.90561 52.3796 -9.59356 42.6594 -9.59343 22.6498 GPRESSAVG: 2024000 -84.5219 8.22654 43.8517 5.00334 53.287 -10.1151 43.797 -10.515 21.5968 TIMING: 2024000 CPU: 5873.18, 0.00288322/step Wall: 5873.18, 0.00288322/step, 2.38347 hours remaining, 207.316406 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: 2024000 737.1462 2072.3002 1943.9733 123.7598 -206292.7812 17824.8739 0.0000 0.0000 34214.8262 -149375.9017 298.8066 -183590.7278 -149273.9340 299.1475 -28.3499 5.7289 557275.2584 -3.1585 -3.2127 PRESSURE: 2024200 43.7423 36.7084 -19.7198 36.7085 -82.2482 -66.5423 -19.7196 -66.543 32.0738 GPRESSURE: 2024200 83.4416 14.7311 -35.1729 -10.5023 -24.0138 -152.333 65.6406 -34.2434 35.6422 PRESSAVG: 2024200 -33.3158 -4.25178 7.71868 -4.25176 -2.31095 33.3823 7.71867 33.3823 23.7343 GPRESSAVG: 2024200 -33.0938 -4.33002 7.01545 -4.43495 -3.81373 32.8561 8.65888 33.9431 25.1816 TIMING: 2024200 CPU: 5873.75, 0.00289371/step Wall: 5873.75, 0.00289371/step, 2.39197 hours remaining, 207.316406 MB of memory in use. ENERGY: 2024200 750.0784 2045.3764 1971.3170 112.6702 -206151.0823 17797.9550 0.0000 0.0000 34305.3746 -149168.3106 299.5974 -183473.6852 -149058.3892 299.0434 -2.1440 31.6900 557827.7757 -3.9642 -3.9086 LDB: ============= START OF LOAD BALANCING ============== 5877.22 LDB: ============== END OF LOAD BALANCING =============== 5877.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5877.22 LDB: ============= START OF LOAD BALANCING ============== 5877.51 LDB: Largest compute 4820 load 0.028431 is 24.1% of average load 0.117812 LDB: Average compute 0.001720 is 1.5% of average load 0.117812 LDB: TIME 5877.51 LOAD: AVG 0.117812 MAX 0.177308 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.434 MB LDB: TIME 5877.51 LOAD: AVG 0.117812 MAX 0.177308 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.434 MB LDB: TIME 5877.51 LOAD: AVG 0.117812 MAX 0.177308 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.434 MB LDB: ============== END OF LOAD BALANCING =============== 5877.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5877.52 PRESSURE: 2024400 -220.082 80.5233 19.6005 80.5241 -85.3435 22.1936 19.601 22.1932 -118.303 GPRESSURE: 2024400 -220.493 41.9819 -11.457 46.798 -61.193 -15.9757 -30.2787 30.7689 -49.5065 PRESSAVG: 2024400 -75.6636 33.482 4.37642 33.4822 46.8244 -55.9971 4.37635 -55.997 38.1117 GPRESSAVG: 2024400 -75.6378 34.5077 4.76495 35.0453 48.7776 -54.4465 5.55329 -56.5928 36.4862 TIMING: 2024400 CPU: 5874.34, 0.00293359/step Wall: 5874.34, 0.00293359/step, 2.42477 hours remaining, 207.175781 MB of memory in use. ENERGY: 2024400 763.1916 2056.5696 1974.9156 121.6435 -206194.5079 17656.9340 0.0000 0.0000 34394.4222 -149226.8314 300.3750 -183621.2536 -149130.9780 298.8860 -141.2428 -110.3976 558186.8871 3.0908 3.2087 PRESSURE: 2024600 319.862 85.0028 99.9105 85.0039 -130.886 32.4634 99.9104 32.4626 100.61 GPRESSURE: 2024600 287.798 105.204 77.9261 102.317 -72.7216 24.4261 62.6822 -26.3246 182.524 PRESSAVG: 2024600 -74.251 1.2954 1.70901 1.29535 49.9169 -55.085 1.70907 -55.085 33.9934 GPRESSAVG: 2024600 -73.6489 0.423084 -1.90839 1.00711 48.4881 -53.7346 -0.298793 -53.9137 34.8835 TIMING: 2024600 CPU: 5874.92, 0.00288657/step Wall: 5874.92, 0.00288657/step, 2.38575 hours remaining, 207.175781 MB of memory in use. ENERGY: 2024600 737.7874 2101.2593 1947.2456 102.0389 -206307.6234 18019.1954 0.0000 0.0000 34298.6462 -149101.4506 299.5386 -183400.0968 -149000.9800 299.1135 96.5285 132.5337 556522.3551 3.2198 3.2409 PRESSURE: 2024800 -95.8127 -95.9119 73.7747 -95.9128 -21.691 -113.318 73.7748 -113.319 -146.327 GPRESSURE: 2024800 22.0781 -50.4919 10.4022 -26.9517 -68.4157 -148.535 166.39 -108.414 -122.545 PRESSAVG: 2024800 -10.5386 26.2826 -58.8603 26.2826 -11.7726 -9.36747 -58.8603 -9.36747 10.5849 GPRESSAVG: 2024800 -11.2174 25.0011 -54.971 26.7541 -12.0148 -10.5317 -59.7463 -11.418 11.4298 TIMING: 2024800 CPU: 5875.49, 0.00287933/step Wall: 5875.49, 0.00287933/step, 2.37961 hours remaining, 207.175781 MB of memory in use. ENERGY: 2024800 698.3709 2056.9303 1964.8079 115.5093 -205791.4805 17608.8793 0.0000 0.0000 34401.9821 -148945.0007 300.4411 -183346.9828 -148844.2721 300.0878 -87.9435 -56.2943 557492.3956 -3.9088 -3.9342 PRESSURE: 2025000 29.3646 -119.196 75.1476 -119.196 138.552 -96.2169 75.1471 -96.217 46.0428 GPRESSURE: 2025000 29.0814 -119.776 49.1598 -117.326 165.223 -48.3033 149.121 -101.861 120.987 PRESSAVG: 2025000 -21.1998 -12.8352 -24.317 -12.835 79.37 -79.2524 -24.317 -79.2524 -37.6088 GPRESSAVG: 2025000 -20.0875 -11.5851 -27.3336 -13.3041 80.3585 -79.4113 -25.0748 -77.7472 -39.8105 TIMING: 2025000 CPU: 5876.07, 0.00287114/step Wall: 5876.07, 0.00287114/step, 2.37267 hours remaining, 207.175781 MB of memory in use. ENERGY: 2025000 745.4606 2038.2453 1952.8397 105.6508 -206147.4653 17960.4898 0.0000 0.0000 34293.5212 -149051.2579 299.4938 -183344.7790 -148955.5030 299.9334 71.3199 105.0973 556446.2118 6.8538 6.8202 PRESSURE: 2025200 10.6988 -96.4654 29.35 -96.4634 -215.477 82.9627 29.3496 82.9619 -284.738 GPRESSURE: 2025200 36.0905 -159.794 -28.9186 9.0683 -147.29 0.186818 46.3294 72.2147 -268.219 PRESSAVG: 2025200 16.3639 -66.6968 -16.6437 -66.6968 -15.5274 -40.6703 -16.6438 -40.6703 30.4155 GPRESSAVG: 2025200 14.8222 -68.2763 -16.801 -66.7004 -15.4224 -44.2573 -13.6573 -39.1084 31.7552 TIMING: 2025200 CPU: 5876.65, 0.00288481/step Wall: 5876.65, 0.00288481/step, 2.38382 hours remaining, 207.175781 MB of memory in use. ENERGY: 2025200 731.5792 2095.9764 1981.4831 109.0867 -205694.5261 17673.4832 0.0000 0.0000 33861.3935 -149241.5241 295.7200 -183102.9176 -149146.0396 298.9555 -163.1721 -126.4728 559467.4975 10.4173 10.3850 PRESSURE: 2025400 140.609 -67.1937 -24.9898 -67.194 145.448 36.0817 -24.99 36.0822 -75.5291 GPRESSURE: 2025400 213.842 -117.027 5.21073 -16.6641 133.658 17.162 -81.6401 89.5093 -35.5375 PRESSAVG: 2025400 49.4046 -59.0039 -35.3958 -59.0039 -76.1181 -6.02747 -35.3958 -6.02754 2.57035 GPRESSAVG: 2025400 49.891 -58.4146 -34.0898 -57.9767 -76.5431 -5.08191 -37.5388 -7.46782 2.02034 TIMING: 2025400 CPU: 5877.22, 0.00288822/step Wall: 5877.22, 0.00288822/step, 2.38647 hours remaining, 207.417969 MB of memory in use. ENERGY: 2025400 737.9592 2065.1643 1944.6606 103.3982 -206038.0138 17722.4961 0.0000 0.0000 34281.0942 -149183.2411 299.3853 -183464.3353 -149085.8648 298.6113 70.1761 103.9875 557942.4398 -8.0477 -8.2106 PRESSURE: 2025600 -28.847 -59.9177 -51.1575 -59.9183 90.1462 -43.6017 -51.1566 -43.6004 -100.34 GPRESSURE: 2025600 0.720907 -152.949 11.668 22.3401 141.403 -15.6163 -97.5686 -19.7832 -89.4079 PRESSAVG: 2025600 14.0965 -5.54879 30.8178 -5.54874 -46.9442 20.2291 30.8178 20.2291 15.053 GPRESSAVG: 2025600 13.4755 -6.14782 31.2527 -4.44741 -47.3154 21.3304 30.99 20.8148 16.0612 TIMING: 2025600 CPU: 5877.8, 0.00287979/step Wall: 5877.8, 0.00287979/step, 2.37935 hours remaining, 207.417969 MB of memory in use. ENERGY: 2025600 716.4010 2095.7158 1968.4559 105.1731 -205888.3921 17711.1428 0.0000 0.0000 34003.1532 -149288.3503 296.9580 -183291.5035 -149194.1245 298.4648 -13.0137 17.5719 558272.9934 -5.9316 -5.9263 PRESSURE: 2025800 -187.644 76.3353 -128.717 76.3345 -283.797 28.0885 -128.718 28.089 78.963 GPRESSURE: 2025800 -160.25 95.7715 -53.925 140.211 -221.778 34.4135 -154.732 -20.1458 83.4935 PRESSAVG: 2025800 36.5826 -33.7413 -61.8569 -33.7413 -5.89706 9.49209 -61.8569 9.49215 -27.0177 GPRESSAVG: 2025800 37.0138 -31.6376 -63.0278 -34.3845 -5.67364 11.8882 -60.9384 9.82794 -27.8243 TIMING: 2025800 CPU: 5878.37, 0.00287278/step Wall: 5878.37, 0.00287278/step, 2.37339 hours remaining, 207.417969 MB of memory in use. ENERGY: 2025800 751.8820 2081.2978 1950.1812 115.9410 -205937.8087 17497.9103 0.0000 0.0000 34234.1531 -149306.4434 298.9754 -183540.5965 -149207.4230 298.0103 -130.8260 -99.5114 557245.2523 1.2226 1.1720 PRESSURE: 2026000 -165.181 92.4466 40.8322 92.4464 -140.501 -72.2368 40.8315 -72.2351 -238.062 GPRESSURE: 2026000 -71.2645 144.633 36.8332 12.1308 -188.18 -102.798 75.9823 -25.6777 -185.052 PRESSAVG: 2026000 42.3983 -35.707 -44.3776 -35.7068 8.40397 -3.4979 -44.3776 -3.49783 -37.9019 GPRESSAVG: 2026000 42.9592 -35.5063 -43.8369 -36.4298 7.99471 -5.52654 -44.5204 -2.53366 -38.356 TIMING: 2026000 CPU: 5878.95, 0.00288647/step Wall: 5878.95, 0.00288647/step, 2.38455 hours remaining, 207.417969 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: 2026000 765.8877 2061.2967 1945.5722 122.9545 -206039.8765 17593.2637 0.0000 0.0000 34186.2692 -149364.6323 298.5572 -183550.9015 -149273.1929 298.1392 -181.2483 -148.1654 557452.8679 4.3001 4.1993 PRESSURE: 2026200 19.5032 -115.42 -37.8964 -115.421 216.092 17.4203 -37.8978 17.4201 128.331 GPRESSURE: 2026200 98.4799 -157.909 48.9313 -107.542 202.766 78.7184 -66.1326 88.0416 172.428 PRESSAVG: 2026200 41.1842 -92.0141 -45.3473 -92.014 -42.6971 -18.9481 -45.3473 -18.9482 -12.8617 GPRESSAVG: 2026200 41.9086 -93.7361 -41.0921 -91.2896 -42.8082 -18.2503 -47.1126 -20.4449 -12.8645 TIMING: 2026200 CPU: 5879.53, 0.00287879/step Wall: 5879.53, 0.00287879/step, 2.37804 hours remaining, 207.417969 MB of memory in use. ENERGY: 2026200 723.0490 2049.2985 1941.6508 102.4118 -206234.0396 18023.1826 0.0000 0.0000 34023.8267 -149370.6201 297.1385 -183394.4468 -149273.2417 298.1565 121.3088 157.8914 556827.9237 -4.7915 -4.5880 PRESSURE: 2026400 74.3204 84.3597 -109.362 84.3591 348.866 -41.3688 -109.363 -41.3685 42.1012 GPRESSURE: 2026400 90.0836 79.8501 -119.206 90.6458 386.419 27.2813 -146.131 -59.9925 86.952 PRESSAVG: 2026400 -41.6723 -6.57161 -0.803359 -6.57159 68.3346 -26.9127 -0.803389 -26.9126 -16.3598 GPRESSAVG: 2026400 -41.9971 -5.63817 -4.00355 -6.78267 68.2002 -28.377 -0.0662957 -25.9975 -16.0613 TIMING: 2026400 CPU: 5880.1, 0.00286789/step Wall: 5880.1, 0.00286789/step, 2.36887 hours remaining, 207.417969 MB of memory in use. ENERGY: 2026400 706.1179 2120.4174 1967.7095 97.3813 -206594.1216 18099.2914 0.0000 0.0000 34256.4456 -149346.7586 299.1701 -183603.2042 -149255.6433 298.1555 155.0958 187.8180 558520.0772 3.4342 3.3806 PRESSURE: 2026600 266.578 103.049 -69.8644 103.048 322.106 54.201 -69.8651 54.2014 5.76046 GPRESSURE: 2026600 340.403 119.27 -23.4987 103.767 293.523 -4.31394 -113.248 22.9979 65.5198 PRESSAVG: 2026600 54.1605 -40.0468 -52.4205 -40.0467 14.6797 -40.0891 -52.4205 -40.0891 -12.5703 GPRESSAVG: 2026600 54.8407 -39.7213 -52.0266 -39.5901 14.8958 -39.0307 -52.4262 -41.221 -12.9423 TIMING: 2026600 CPU: 5880.67, 0.00286303/step Wall: 5880.67, 0.00286303/step, 2.36471 hours remaining, 207.417969 MB of memory in use. ENERGY: 2026600 778.9867 2085.5304 1939.6059 134.6913 -206281.8679 18082.5727 0.0000 0.0000 34108.9775 -149151.5034 297.8822 -183260.4809 -149055.9571 299.5530 198.1480 233.1489 556454.4331 18.7566 18.9314 PRESSURE: 2026800 -284.436 -63.9088 -80.3507 -63.9092 218.39 5.8665 -80.35 5.86486 -71.6776 GPRESSURE: 2026800 -220.906 -127.777 23.8403 -56.4571 237.22 8.00879 -46.9963 19.6649 -58.5167 PRESSAVG: 2026800 -29.0059 -31.0906 -72.1781 -31.0905 41.2918 12.1146 -72.1781 12.1147 15.4038 GPRESSAVG: 2026800 -29.0038 -31.7741 -73.11 -32.7606 39.7026 11.4238 -70.5569 11.8475 16.3232 TIMING: 2026800 CPU: 5881.25, 0.00287576/step Wall: 5881.25, 0.00287576/step, 2.37506 hours remaining, 207.417969 MB of memory in use. ENERGY: 2026800 777.3599 2043.3234 1962.7340 113.2468 -206149.9624 17863.9272 0.0000 0.0000 34210.2038 -149179.1672 298.7662 -183389.3710 -149080.1026 299.0648 -45.9078 -14.0674 557841.2105 9.2299 9.0073 PRESSURE: 2027000 -153.98 -129.065 112.857 -129.065 -324.056 54.9148 112.857 54.9134 -58.8433 GPRESSURE: 2027000 -124.396 -127.529 146.62 -48.2505 -287.753 96.0651 24.073 81.1208 -33.1269 PRESSAVG: 2027000 -100.553 -46.0004 49.2617 -46.0004 7.32133 13.1562 49.2618 13.1563 72.9483 GPRESSAVG: 2027000 -100.864 -43.4247 50.7985 -44.9306 8.48893 14.657 47.0966 14.2989 72.0527 TIMING: 2027000 CPU: 5881.82, 0.00286531/step Wall: 5881.82, 0.00286531/step, 2.36627 hours remaining, 207.417969 MB of memory in use. ENERGY: 2027000 750.7253 2065.2693 1964.0345 115.1257 -206099.5135 17588.1624 0.0000 0.0000 34323.2646 -149292.9319 299.7536 -183616.1964 -149197.6033 298.9514 -178.9598 -148.4253 557383.2607 -6.7611 -6.7742 PRESSURE: 2027200 -250.056 -53.763 -38.8744 -53.7635 8.34846 5.76935 -38.8741 5.76919 18.8093 GPRESSURE: 2027200 -198.697 -14.3216 8.29773 -23.3008 33.4161 -27.7762 5.7633 -8.22005 29.8931 PRESSAVG: 2027200 -27.9035 22.8001 36.4223 22.8001 44.3184 -2.81919 36.4223 -2.81917 -22.0362 GPRESSAVG: 2027200 -27.9364 21.5063 34.389 23.4524 44.9363 -1.25757 38.2354 -3.69818 -22.1494 TIMING: 2027200 CPU: 5882.39, 0.00286706/step Wall: 5882.39, 0.00286706/step, 2.36755 hours remaining, 207.417969 MB of memory in use. ENERGY: 2027200 752.5083 2074.9657 1949.2369 107.4516 -206003.5824 17644.8648 0.0000 0.0000 34160.5455 -149314.0097 298.3325 -183474.5552 -149217.8788 299.2562 -74.2993 -45.1292 557083.6790 -1.8738 -1.7165 PRESSURE: 2027400 -160.204 52.2953 -178.255 52.2959 -301.322 -29.3481 -178.254 -29.3466 -245.516 GPRESSURE: 2027400 -124.885 21.4072 -198.54 17.5821 -281.662 -6.53273 -150.614 -76.888 -219.588 PRESSAVG: 2027400 -38.4881 -4.76421 -58.4351 -4.76421 55.1533 44.4382 -58.4351 44.4381 -27.4545 GPRESSAVG: 2027400 -39.1682 -4.15065 -58.5262 -4.34783 55.0294 42.2773 -59.5976 45.6442 -26.3212 TIMING: 2027400 CPU: 5882.97, 0.00285406/step Wall: 5882.97, 0.00285406/step, 2.35666 hours remaining, 207.417969 MB of memory in use. ENERGY: 2027400 757.1040 2118.8276 1959.4645 118.5975 -206016.9417 17460.4860 0.0000 0.0000 34343.4055 -149259.0567 299.9295 -183602.4622 -149160.8906 298.4953 -235.6806 -208.7117 557842.7005 -3.5964 -3.4867 PRESSURE: 2027600 30.363 -21.5599 19.6237 -21.5594 -171.452 -24.1019 19.6227 -24.1021 -438.582 GPRESSURE: 2027600 62.2868 37.2126 30.9464 -44.7651 -115.942 -50.7921 -6.51052 -49.4094 -421.19 PRESSAVG: 2027600 -4.47695 9.75916 -30.5631 9.75913 32.4851 -21.8419 -30.5631 -21.8419 -10.9695 GPRESSAVG: 2027600 -6.16055 9.99751 -29.4227 7.74747 32.8519 -23.6223 -28.5889 -21.1959 -9.91685 TIMING: 2027600 CPU: 5883.54, 0.00286388/step Wall: 5883.54, 0.00286388/step, 2.36461 hours remaining, 207.417969 MB of memory in use. ENERGY: 2027600 773.3583 2109.2687 1954.2724 120.9845 -205705.8754 17652.6111 0.0000 0.0000 34077.6897 -149017.6907 297.6089 -183095.3804 -148921.0325 299.5856 -193.2237 -158.2818 558392.7015 5.6795 5.5915 PRESSURE: 2027800 -160.765 -51.8142 18.2733 -51.8129 -196.179 44.1257 18.2723 44.126 -40.9902 GPRESSURE: 2027800 -83.189 -6.77315 54.4527 21.1553 -181.88 87.0758 -16.0292 36.404 -35.2538 PRESSAVG: 2027800 32.316 61.2934 -20.3872 61.2934 -75.4131 -17.8458 -20.3872 -17.846 59.9503 GPRESSAVG: 2027800 33.8101 60.5971 -21.665 63.8043 -75.9938 -16.3223 -19.541 -18.8012 58.7617 TIMING: 2027800 CPU: 5884.11, 0.00286021/step Wall: 5884.11, 0.00286021/step, 2.36142 hours remaining, 207.417969 MB of memory in use. ENERGY: 2027800 751.6519 2122.5959 1975.3824 114.2099 -206094.8866 17707.5269 0.0000 0.0000 34199.6228 -149223.8968 298.6738 -183423.5196 -149122.3165 299.0766 -132.6447 -100.1077 557938.3480 5.6177 5.5260 PRESSURE: 2028000 57.5297 -57.4661 22.9016 -57.4651 238.488 126.575 22.9014 126.575 125.665 GPRESSURE: 2028000 95.6075 -113.01 48.2587 -58.1568 255.981 135.505 7.42973 57.3328 164.616 PRESSAVG: 2028000 50.9188 23.3873 37.5011 23.3873 -84.3069 -6.55469 37.5009 -6.5547 32.9873 GPRESSAVG: 2028000 50.5218 21.9773 38.3188 23.4832 -84.1328 -7.30829 35.4789 -5.92399 33.3566 TIMING: 2028000 CPU: 5884.69, 0.00288254/step Wall: 5884.69, 0.00288254/step, 2.3797 hours remaining, 207.417969 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: 2028000 698.8463 2148.3695 1967.7595 110.5251 -206514.6020 17904.8811 0.0000 0.0000 34374.6427 -149309.5778 300.2023 -183684.2205 -149210.0706 299.4084 140.5607 172.0681 556632.0325 -0.1336 -0.0848 PRESSURE: 2028200 -159.467 -67.3381 33.7906 -67.3372 -0.332746 -148.174 33.7914 -148.172 201.356 GPRESSURE: 2028200 -105.371 -84.5346 -8.11506 -68.7882 32.7706 -66.2679 -57.2953 -174.677 225.55 PRESSAVG: 2028200 29.6217 -17.1465 -20.2119 -17.1465 23.7472 -12.161 -20.2118 -12.161 -32.6394 GPRESSAVG: 2028200 29.1055 -14.5173 -19.8625 -18.771 23.8223 -11.5678 -21.1857 -12.4488 -32.2847 TIMING: 2028200 CPU: 5885.26, 0.00287373/step Wall: 5885.26, 0.00287373/step, 2.37226 hours remaining, 207.417969 MB of memory in use. ENERGY: 2028200 759.0968 2060.5125 1964.9072 118.8985 -206554.3547 18148.9022 0.0000 0.0000 34110.1144 -149391.9233 297.8921 -183502.0377 -149296.5958 298.1366 13.8519 50.9833 557764.7688 6.9098 6.8810 LDB: ============= START OF LOAD BALANCING ============== 5888.73 LDB: ============== END OF LOAD BALANCING =============== 5888.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5888.73 LDB: ============= START OF LOAD BALANCING ============== 5889.02 LDB: Largest compute 4820 load 0.028992 is 24.6% of average load 0.117759 LDB: Average compute 0.001726 is 1.5% of average load 0.117759 LDB: TIME 5889.02 LOAD: AVG 0.117759 MAX 0.178473 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 5889.02 LOAD: AVG 0.117759 MAX 0.178473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: TIME 5889.02 LOAD: AVG 0.117759 MAX 0.178473 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.84 MB LDB: ============== END OF LOAD BALANCING =============== 5889.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5889.03 PRESSURE: 2028400 -31.7674 10.0461 -75.17 10.0467 212.699 -32.793 -75.1716 -32.7924 -37.942 GPRESSURE: 2028400 29.0598 -11.6743 -43.8155 -29.3241 222.118 -10.6564 -96.5698 -90.7021 -19.2169 PRESSAVG: 2028400 22.7417 -15.8051 -9.63233 -15.8052 9.53483 -14.3428 -9.63239 -14.3429 22.7553 GPRESSAVG: 2028400 22.7082 -17.0362 -12.2244 -16.7324 10.4127 -14.2665 -6.44906 -14.515 21.7071 TIMING: 2028400 CPU: 5885.85, 0.00294388/step Wall: 5885.85, 0.00294388/step, 2.43001 hours remaining, 208.113281 MB of memory in use. ENERGY: 2028400 738.8528 2086.5841 1979.0297 103.4611 -206373.0927 17983.4502 0.0000 0.0000 34076.0248 -149405.6900 297.5944 -183481.7148 -149307.9373 297.9986 47.6633 77.3202 559125.5937 18.3439 18.2760 PRESSURE: 2028600 189.588 31.3767 -61.4275 31.3774 75.5569 -22.9251 -61.4267 -22.9247 206.229 GPRESSURE: 2028600 142.557 85.8125 -17.7739 19.7111 138.414 -37.0805 -93.9388 -53.6106 280.069 PRESSAVG: 2028600 -1.78093 -11.7828 -24.7896 -11.7828 -5.94848 18.1195 -24.7897 18.1195 -35.0644 GPRESSAVG: 2028600 -2.5797 -10.3224 -23.4575 -12.2246 -5.48788 19.0042 -27.1965 17.9879 -34.6263 TIMING: 2028600 CPU: 5886.43, 0.00287838/step Wall: 5886.43, 0.00287838/step, 2.37578 hours remaining, 208.113281 MB of memory in use. ENERGY: 2028600 718.0953 2031.6889 1958.2437 120.5200 -206587.5181 18076.5572 0.0000 0.0000 34085.9566 -149596.4565 297.6811 -183682.4131 -149505.8423 297.9278 157.1247 187.0133 558004.1551 -14.2646 -14.2313 PRESSURE: 2028800 -175.385 149.262 108.03 149.262 -42.644 103.059 108.028 103.058 -183.211 GPRESSURE: 2028800 -106.503 193.31 82.3413 136.557 -47.5048 48.5158 105.503 83.0817 -153.689 PRESSAVG: 2028800 16.1055 26.4754 -22.0959 26.4754 7.06288 -22.3336 -22.0959 -22.3336 -5.74402 GPRESSAVG: 2028800 16.2495 25.8956 -21.8111 27.1075 7.70861 -25.4429 -22.2527 -20.4543 -6.0057 TIMING: 2028800 CPU: 5887, 0.00286898/step Wall: 5887, 0.00286898/step, 2.36787 hours remaining, 208.113281 MB of memory in use. ENERGY: 2028800 706.9091 2075.6660 1942.3251 115.9438 -206168.2435 17653.3567 0.0000 0.0000 34129.1622 -149544.8807 298.0585 -183674.0429 -149454.6577 297.6380 -133.7467 -102.5656 559330.8995 5.8081 5.9841 PRESSURE: 2029000 107.975 13.2835 -48.813 13.283 -67.0875 -73.1503 -48.813 -73.1512 119.604 GPRESSURE: 2029000 100.029 -100.596 2.73871 37.5679 -39.4069 -63.7693 2.55118 -59.0636 184.299 PRESSAVG: 2029000 -21.1096 -11.8578 4.93074 -11.8577 -58.5774 27.3456 4.93069 27.3456 17.5903 GPRESSAVG: 2029000 -20.8747 -12.5625 5.56471 -11.823 -58.9946 30.1274 4.73744 24.7808 17.1758 TIMING: 2029000 CPU: 5887.58, 0.00287574/step Wall: 5887.58, 0.00287574/step, 2.37328 hours remaining, 208.113281 MB of memory in use. ENERGY: 2029000 757.7497 2079.6596 1947.3024 122.6324 -206505.7107 17967.8811 0.0000 0.0000 34154.1383 -149476.3473 298.2766 -183630.4855 -149380.7514 298.0112 53.4974 81.6403 557417.2986 -20.6989 -20.8979 PRESSURE: 2029200 284.631 -3.55817 153.156 -3.55816 -175.606 11.4206 153.155 11.4217 236.11 GPRESSURE: 2029200 290.953 37.5334 151.418 -44.0781 -99.4682 -27.5109 129.045 -73.2978 240.425 PRESSAVG: 2029200 30.163 -0.0804323 88.9358 -0.0804412 -31.0345 34.4053 88.9358 34.4053 12.8622 GPRESSAVG: 2029200 31.1605 1.58437 87.9624 -1.45355 -32.3998 32.8147 89.445 36.0924 13.4428 TIMING: 2029200 CPU: 5888.15, 0.00286936/step Wall: 5888.15, 0.00286936/step, 2.36786 hours remaining, 208.113281 MB of memory in use. ENERGY: 2029200 729.1773 2062.3445 1953.0538 116.1611 -206403.2178 17966.0736 0.0000 0.0000 34350.1417 -149226.2659 299.9883 -183576.4077 -149130.7136 298.5482 115.0448 143.9698 558902.5223 3.9969 4.0678 PRESSURE: 2029400 -93.6947 -38.8115 118.161 -38.8129 -70.7453 13.942 118.16 13.9427 -205.305 GPRESSURE: 2029400 -101.437 2.36583 98.4338 -2.06741 -3.36949 -65.3114 94.3259 75.4103 -175.193 PRESSAVG: 2029400 70.3739 -27.2373 46.2866 -27.2373 -49.4464 1.21215 46.2866 1.21216 -43.7574 GPRESSAVG: 2029400 70.0212 -26.6367 45.9537 -26.4923 -47.7148 1.00118 46.7919 0.428291 -45.1994 TIMING: 2029400 CPU: 5888.72, 0.00287121/step Wall: 5888.72, 0.00287121/step, 2.36923 hours remaining, 208.113281 MB of memory in use. ENERGY: 2029400 725.3599 2034.6119 1940.9670 113.1255 -205998.5804 17681.1488 0.0000 0.0000 34167.1457 -149336.2215 298.3902 -183503.3672 -149242.2979 298.2290 -123.2483 -93.3333 558321.4364 -7.6100 -7.6310 PRESSURE: 2029600 151.728 17.7316 67.7849 17.7313 -74.0877 -41.8396 67.7858 -41.8399 92.6004 GPRESSURE: 2029600 172.977 -13.9661 95.0815 -67.0297 -57.2427 -37.1394 20.4403 -55.889 162.956 PRESSAVG: 2029600 -23.0872 -7.91893 61.9051 -7.91896 28.585 48.1151 61.905 48.1151 9.92009 GPRESSAVG: 2029600 -24.0911 -10.3933 63.1058 -8.43177 28.4011 47.7178 61.6902 48.049 11.4397 TIMING: 2029600 CPU: 5889.3, 0.0028722/step Wall: 5889.3, 0.0028722/step, 2.36988 hours remaining, 208.375000 MB of memory in use. ENERGY: 2029600 725.0826 2139.0372 1967.3418 125.4743 -206358.5327 17939.2123 0.0000 0.0000 34161.5694 -149300.8150 298.3415 -183462.3845 -149212.7930 298.4537 56.7469 92.8967 555848.1407 5.1393 5.2499 PRESSURE: 2029800 -77.8334 0.747974 -40.8126 0.747282 -93.9412 53.6907 -40.8121 53.6921 333.69 GPRESSURE: 2029800 -2.18219 -67.6008 38.2589 13.2532 -91.1179 30.2491 -98.7768 93.0036 350.801 PRESSAVG: 2029800 -37.3335 -9.55667 34.8357 -9.5567 37.798 35.6728 34.8356 35.6727 -13.1677 GPRESSAVG: 2029800 -36.7724 -9.02789 33.0013 -9.52 37.7558 33.7642 37.1328 37.136 -14.1798 TIMING: 2029800 CPU: 5889.87, 0.00286359/step Wall: 5889.87, 0.00286359/step, 2.36262 hours remaining, 208.375000 MB of memory in use. ENERGY: 2029800 727.2062 2116.0055 1936.3460 117.7366 -206334.6737 17997.8987 0.0000 0.0000 34286.5602 -149152.9205 299.4331 -183439.4806 -149061.0130 299.0517 53.9716 85.8337 557693.9791 -4.2344 -4.3988 PRESSURE: 2030000 -219.602 219.324 -7.75464 219.324 -68.2016 47.0505 -7.75304 47.0494 95.4181 GPRESSURE: 2030000 -154.725 235.316 28.1706 166.018 -73.1795 78.8663 -95.4368 89.654 144.982 PRESSAVG: 2030000 52.0617 -12.6078 40.6269 -12.6078 -29.3141 -0.531356 40.6269 -0.5314 -28.3684 GPRESSAVG: 2030000 52.3645 -14.2968 42.1192 -11.8442 -29.1943 2.53399 36.8673 -1.04043 -28.6832 TIMING: 2030000 CPU: 5890.45, 0.00287751/step Wall: 5890.45, 0.00287751/step, 2.37394 hours remaining, 208.375000 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: 2030000 762.5338 2058.5610 1957.9962 107.9934 -205962.1693 17605.0206 0.0000 0.0000 34439.1584 -149030.9059 300.7657 -183470.0643 -148930.2976 299.8458 -64.1285 -27.6409 557531.8559 -1.8736 -1.8377 PRESSURE: 2030200 148.593 32.6889 -36.5812 32.6896 -144.858 154.232 -36.5808 154.231 27.6685 GPRESSURE: 2030200 180.279 -48.8247 5.95001 51.5215 -77.4868 121.941 -66.5307 118.916 29.5708 PRESSAVG: 2030200 38.6557 35.5382 -18.0544 35.5382 -59.1766 -11.7439 -18.0544 -11.744 1.57192 GPRESSAVG: 2030200 38.2601 37.0377 -18.1454 34.0971 -60.3601 -10.6562 -18.0811 -11.9981 3.36483 TIMING: 2030200 CPU: 5891.02, 0.00286944/step Wall: 5891.02, 0.00286944/step, 2.36713 hours remaining, 208.375000 MB of memory in use. ENERGY: 2030200 720.7837 2128.6470 2005.7614 112.9491 -206120.0485 17763.4164 0.0000 0.0000 34447.8215 -148940.6693 300.8414 -183388.4908 -148848.7475 299.7771 10.4677 44.1210 555331.2375 -6.3163 -6.2450 PRESSURE: 2030400 121.106 11.3874 136.582 11.3883 -8.68084 -45.9136 136.582 -45.9127 -8.33292 GPRESSURE: 2030400 137.931 42.5519 165.24 -24.6252 24.4603 -91.385 213.391 -63.5529 34.4038 PRESSAVG: 2030400 70.9477 -9.64615 -11.4337 -9.6462 -21.825 -3.4476 -11.4337 -3.44757 -17.7321 GPRESSAVG: 2030400 71.2923 -12.0119 -11.3905 -6.51248 -21.7368 -3.46441 -10.0835 -6.25057 -18.8291 TIMING: 2030400 CPU: 5891.6, 0.00288281/step Wall: 5891.6, 0.00288281/step, 2.37799 hours remaining, 208.375000 MB of memory in use. ENERGY: 2030400 730.0600 2093.8825 1939.8219 117.1792 -206172.1709 17964.2680 0.0000 0.0000 34206.1886 -149120.7707 298.7312 -183326.9593 -149016.4131 299.4729 34.6974 65.5984 556883.5462 10.4636 10.2422 PRESSURE: 2030600 -22.7391 -14.7492 -176.021 -14.7498 -237.284 -53.0434 -176.02 -53.0416 -246.348 GPRESSURE: 2030600 27.3684 -12.2079 -206.879 -66.7216 -286.882 16.1189 -178.643 -91.5311 -149.933 PRESSAVG: 2030600 30.05 42.7694 -2.50642 42.7694 -56.2392 -26.1015 -2.50645 -26.1015 21.2193 GPRESSAVG: 2030600 30.3934 45.4654 -2.56673 41.5706 -57.0123 -26.0909 -1.70639 -24.4893 21.6469 TIMING: 2030600 CPU: 5892.17, 0.00289266/step Wall: 5892.17, 0.00289266/step, 2.38596 hours remaining, 208.375000 MB of memory in use. ENERGY: 2030600 727.9274 2053.1503 1973.8993 126.5838 -205829.3145 17560.7734 0.0000 0.0000 34086.8127 -149300.1677 297.6886 -183386.9804 -149204.2854 298.7010 -168.7902 -136.4821 558150.9290 -1.6566 -1.6573 PRESSURE: 2030800 -56.7145 13.8786 -41.1784 13.8778 -102.589 37.0414 -41.1786 37.0403 -141.256 GPRESSURE: 2030800 -81.564 64.7858 43.5936 -87.2532 36.4486 98.4869 -79.185 -64.2155 -144.384 PRESSAVG: 2030800 10.3331 -31.1595 29.5218 -31.1596 -17.6199 -7.04661 29.5218 -7.04659 -36.9552 GPRESSAVG: 2030800 9.6089 -30.644 29.8935 -32.2027 -16.4943 -8.48204 28.5471 -7.46951 -37.0682 TIMING: 2030800 CPU: 5892.75, 0.00286397/step Wall: 5892.75, 0.00286397/step, 2.36214 hours remaining, 208.375000 MB of memory in use. ENERGY: 2030800 711.0295 2081.0528 1966.0621 118.9614 -205750.2177 17541.0719 0.0000 0.0000 34216.8707 -149115.1693 298.8244 -183332.0400 -149021.4064 298.8598 -100.1865 -63.1663 557556.0625 -14.7473 -14.6512 PRESSURE: 2031000 -152.392 -125.099 86.8313 -125.1 -68.4719 -103.132 86.8311 -103.132 -378.943 GPRESSURE: 2031000 -136.416 -136.702 99.9299 -181.057 -84.4096 -33.9077 63.8434 -155.75 -290.825 PRESSAVG: 2031000 -35.7066 3.98787 48.4075 3.98792 -1.45261 -3.44183 48.4075 -3.4419 -34.1576 GPRESSAVG: 2031000 -35.1553 2.8578 47.4296 5.3466 -2.06034 -3.08249 50.0502 -3.76023 -33.9577 TIMING: 2031000 CPU: 5893.32, 0.00286651/step Wall: 5893.32, 0.00286651/step, 2.36407 hours remaining, 208.375000 MB of memory in use. ENERGY: 2031000 717.0038 2069.1102 1989.7296 133.7338 -205860.1778 17652.9873 0.0000 0.0000 34252.8106 -149044.8026 299.1383 -183297.6132 -148946.2382 300.1402 -199.9357 -170.5501 559218.0730 -23.7723 -23.7244 PRESSURE: 2031200 1.68656 16.1572 19.9146 16.1572 111.8 117.36 19.9138 117.36 83.2182 GPRESSURE: 2031200 79.6048 -52.7782 56.0813 178.305 118.102 118.901 -0.382665 146.536 91.1866 PRESSAVG: 2031200 -45.219 -4.255 23.3808 -4.25502 11.7576 47.1771 23.3808 47.1771 -6.58504 GPRESSAVG: 2031200 -44.6102 -4.80012 24.3368 -3.39206 10.3487 47.7252 22.5814 46.6459 -6.08321 TIMING: 2031200 CPU: 5893.9, 0.00288266/step Wall: 5893.9, 0.00288266/step, 2.37724 hours remaining, 208.375000 MB of memory in use. ENERGY: 2031200 715.1622 2050.7684 1982.0698 128.4258 -206478.2277 18009.0829 0.0000 0.0000 34447.4059 -149145.3127 300.8378 -183592.7186 -149048.4446 299.3912 65.5684 96.2979 556566.1615 -13.3488 -13.4482 PRESSURE: 2031400 72.4624 90.5455 -62.0342 90.544 53.7323 3.38917 -62.033 3.38967 295.748 GPRESSURE: 2031400 128.803 34.922 -92.3659 145.04 119.867 0.548714 -56.1764 50.4148 269.788 PRESSAVG: 2031400 -28.9875 39.0588 18.0412 39.0589 -23.6436 12.9036 18.0412 12.9036 50.4308 GPRESSAVG: 2031400 -29.6409 41.5099 17.4867 37.3538 -21.1132 11.1066 18.541 14.9477 48.6846 TIMING: 2031400 CPU: 5894.48, 0.0029011/step Wall: 5894.48, 0.0029011/step, 2.39228 hours remaining, 208.375000 MB of memory in use. ENERGY: 2031400 716.7199 2001.0840 1989.9732 112.5961 -206116.9086 17877.2496 0.0000 0.0000 34141.9073 -149277.3785 298.1698 -183419.2858 -149179.1598 299.3711 140.6475 172.8195 557406.9041 -0.7334 -0.6898 PRESSURE: 2031600 232.488 132.774 -58.9724 132.773 155.126 -66.0579 -58.9727 -66.0568 59.8474 GPRESSURE: 2031600 253.752 142.429 -62.4053 131.566 192.408 -107.718 -86.6029 34.4771 92.2989 PRESSAVG: 2031600 40.5832 -10.4493 -19.5039 -10.4491 -55.5049 31.194 -19.5038 31.1941 12.1367 GPRESSAVG: 2031600 41.24 -13.1578 -18.1856 -9.41489 -57.5882 33.6325 -20.1891 30.5683 12.9771 TIMING: 2031600 CPU: 5895.06, 0.00290209/step Wall: 5895.06, 0.00290209/step, 2.39293 hours remaining, 208.375000 MB of memory in use. ENERGY: 2031600 718.4563 2082.0511 1968.2067 101.3374 -206561.3325 18094.8114 0.0000 0.0000 34354.0048 -149242.4649 300.0221 -183596.4696 -149152.7998 299.0993 149.1536 179.4865 556341.9720 -0.9283 -1.1237 PRESSURE: 2031800 -78.7736 104.852 -80.9353 104.852 -190.469 59.4051 -80.936 59.4034 -150.448 GPRESSURE: 2031800 -34.9001 126.966 7.84105 58.5111 -197.847 -12.1723 -163.058 -11.6422 -82.0424 PRESSAVG: 2031800 -18.9041 -7.57351 1.57549 -7.57352 -6.30848 17.2158 1.57542 17.2157 37.8667 GPRESSAVG: 2031800 -19.8329 -7.43478 1.07219 -7.87596 -5.27777 15.0416 1.32653 18.8904 38.3359 TIMING: 2031800 CPU: 5895.64, 0.00289111/step Wall: 5895.64, 0.00289111/step, 2.38372 hours remaining, 208.375000 MB of memory in use. ENERGY: 2031800 711.0224 2060.4628 1953.7564 108.8254 -205845.7533 17621.6872 0.0000 0.0000 34144.7618 -149245.2372 298.1947 -183389.9990 -149158.3625 298.6961 -139.8969 -104.9297 558388.4906 4.2181 4.4084 PRESSURE: 2032000 105.809 -144.629 28.0663 -144.629 -46.1276 108.326 28.0671 108.327 63.0041 GPRESSURE: 2032000 157.634 -132.558 116.173 -90.1602 35.6613 172.289 -108.31 14.9121 36.0875 PRESSAVG: 2032000 -21.4519 62.3812 -4.92286 62.3812 20.8909 -89.6247 -4.92288 -89.6247 -3.88216 GPRESSAVG: 2032000 -21.0799 62.9542 -5.04038 62.7402 21.9576 -86.3869 -5.01087 -93.4487 -4.64145 TIMING: 2032000 CPU: 5896.22, 0.00291304/step Wall: 5896.22, 0.00291304/step, 2.40164 hours remaining, 208.375000 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: 2032000 740.1746 2024.1931 1960.1909 116.7402 -205770.7956 17619.0228 0.0000 0.0000 34040.4173 -149270.0568 297.2834 -183310.4741 -149183.0466 298.3267 40.8952 76.4608 557092.4543 -1.4810 -1.2546 PRESSURE: 2032200 153.551 102.071 40.951 102.071 -177.281 -114.104 40.9511 -114.104 -86.6607 GPRESSURE: 2032200 142.544 61.5515 93.9765 152.967 -141.899 -137.002 103.454 -269.438 -5.35805 PRESSAVG: 2032200 -10.9734 69.7957 13.0004 69.7956 42.8487 3.36234 13.0003 3.36227 7.78365 GPRESSAVG: 2032200 -10.9989 69.0717 12.4726 69.8258 42.4049 -0.328878 14.7938 6.14476 8.67608 TIMING: 2032200 CPU: 5896.8, 0.00289621/step Wall: 5896.8, 0.00289621/step, 2.3876 hours remaining, 208.375000 MB of memory in use. ENERGY: 2032200 718.8605 2078.2348 1956.6408 108.7160 -206095.7908 17764.9408 0.0000 0.0000 34082.9426 -149385.4551 297.6548 -183468.3977 -149299.0688 298.1994 -36.7968 -1.5709 556797.8291 13.2197 13.3607 LDB: ============= START OF LOAD BALANCING ============== 5900.26 LDB: ============== END OF LOAD BALANCING =============== 5900.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5900.26 LDB: ============= START OF LOAD BALANCING ============== 5900.55 LDB: Largest compute 4820 load 0.029440 is 25.0% of average load 0.117794 LDB: Average compute 0.001726 is 1.5% of average load 0.117794 LDB: TIME 5900.56 LOAD: AVG 0.117794 MAX 0.17713 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 5900.56 LOAD: AVG 0.117794 MAX 0.17713 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: TIME 5900.56 LOAD: AVG 0.117794 MAX 0.17713 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5900.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5900.56 PRESSURE: 2032400 -131.284 2.94677 -93.7464 2.94657 285.317 -93.4036 -93.7461 -93.4031 -185.414 GPRESSURE: 2032400 -132.269 -34.4155 -80.5229 34.4477 377.618 -129.597 -156.071 -50.5806 -177.178 PRESSAVG: 2032400 42.7366 11.1564 3.67688 11.1564 -26.8995 -17.4327 3.67699 -17.4326 -8.26095 GPRESSAVG: 2032400 42.3075 13.7097 4.562 10.5223 -27.705 -16.8056 2.18571 -16.9546 -7.04899 TIMING: 2032400 CPU: 5897.39, 0.0029444/step Wall: 5897.39, 0.0029444/step, 2.42717 hours remaining, 206.644531 MB of memory in use. ENERGY: 2032400 763.8747 2059.2061 1955.4519 121.3514 -206254.0125 17847.3623 0.0000 0.0000 34143.9285 -149362.8376 298.1874 -183506.7661 -149272.1452 298.1161 -10.4602 22.7239 556894.5224 2.5254 2.5178 PRESSURE: 2032600 71.0079 100.824 2.38631 100.825 71.1957 98.294 2.38751 98.2924 -44.6967 GPRESSURE: 2032600 112.985 98.3311 -30.2611 81.7155 105.941 85.3698 40.0966 59.9642 -18.2761 PRESSAVG: 2032600 16.5786 59.4641 34.9225 59.4641 9.84776 19.0534 34.9224 19.0532 -57.9447 GPRESSAVG: 2032600 16.5044 57.841 35.421 58.2659 10.175 20.3641 35.508 16.6378 -58.7634 TIMING: 2032600 CPU: 5897.96, 0.00288151/step Wall: 5897.96, 0.00288151/step, 2.37516 hours remaining, 206.644531 MB of memory in use. ENERGY: 2032600 742.0973 2113.2863 1974.0518 116.5165 -206218.6227 18025.1296 0.0000 0.0000 34037.0284 -149210.5128 297.2538 -183247.5412 -149118.9824 298.5583 32.5023 66.8833 558353.0977 -10.5061 -10.6947 PRESSURE: 2032800 48.8008 215.541 164.842 215.541 -56.4197 96.4816 164.842 96.4828 162.599 GPRESSURE: 2032800 106.821 132.419 234.374 251.599 -22.8008 6.17635 154.602 186.404 155.633 PRESSAVG: 2032800 13.7239 -32.5087 -50.4421 -32.5087 15.2186 -7.44177 -50.442 -7.44185 -0.261525 GPRESSAVG: 2032800 13.7536 -32.7166 -52.5147 -32.2697 14.0708 -7.67654 -50.3556 -6.29614 0.218334 TIMING: 2032800 CPU: 5898.54, 0.00286623/step Wall: 5898.54, 0.00286623/step, 2.36241 hours remaining, 206.644531 MB of memory in use. ENERGY: 2032800 714.7333 2078.6798 1980.2849 122.6065 -206190.4841 17964.6037 0.0000 0.0000 34104.8050 -149224.7709 297.8457 -183329.5759 -149132.1367 299.5312 51.6601 79.8846 558916.6334 9.5603 9.3476 PRESSURE: 2033000 -141.979 -24.1725 -82.4585 -24.1719 -212.17 -17.5241 -82.4593 -17.5242 -146.648 GPRESSURE: 2033000 -61.2875 -35.6562 -49.7254 -2.77848 -192.366 -4.2408 -47.5929 102.494 -149.391 PRESSAVG: 2033000 -10.2964 20.6457 2.16726 20.6457 6.11732 15.9465 2.16732 15.9464 37.151 GPRESSAVG: 2033000 -9.81222 20.7801 1.85573 22.6038 6.31953 15.2423 2.46249 15.4473 36.3574 TIMING: 2033000 CPU: 5899.12, 0.00289224/step Wall: 5899.12, 0.00289224/step, 2.38369 hours remaining, 206.644531 MB of memory in use. ENERGY: 2033000 752.4935 2032.4781 1978.4385 114.7275 -206189.2730 17735.6597 0.0000 0.0000 34403.2008 -149172.2750 300.4517 -183575.4757 -149073.5298 299.3434 -166.9322 -134.3479 558327.0338 10.9907 10.9549 PRESSURE: 2033200 -82.496 136.404 -11.0192 136.403 8.4753 8.58599 -11.0189 8.58708 209.628 GPRESSURE: 2033200 -86.6145 65.3674 -84.859 175.62 55.626 -45.5413 -33.7331 33.1685 270.789 PRESSAVG: 2033200 1.61552 -35.2467 23.4921 -35.2467 -8.31382 -20.4992 23.492 -20.4992 38.4471 GPRESSAVG: 2033200 1.76269 -35.2341 22.9655 -34.6267 -7.53982 -21.15 23.5542 -19.1686 37.4233 TIMING: 2033200 CPU: 5899.69, 0.00288969/step Wall: 5899.69, 0.00288969/step, 2.38142 hours remaining, 206.644531 MB of memory in use. ENERGY: 2033200 746.5797 2105.3759 1962.0595 126.6707 -206394.3914 17863.4011 0.0000 0.0000 34246.0708 -149344.2338 299.0795 -183590.3045 -149248.1312 299.8945 45.2025 79.9335 558167.5648 10.5829 10.5487 PRESSURE: 2033400 -78.3316 40.0333 -23.492 40.032 -112.491 72.2739 -23.4924 72.2729 -333.905 GPRESSURE: 2033400 -60.2831 50.2211 -57.3439 39.0087 -81.2796 23.6419 -96.3753 15.5526 -285.116 PRESSAVG: 2033400 9.86888 -0.489022 45.1016 -0.489036 -53.8462 -34.2005 45.1016 -34.2006 12.2886 GPRESSAVG: 2033400 10.0643 0.501406 45.7641 -2.92414 -54.9811 -35.112 44.3498 -35.1841 12.6995 TIMING: 2033400 CPU: 5900.27, 0.00288894/step Wall: 5900.27, 0.00288894/step, 2.38065 hours remaining, 206.644531 MB of memory in use. ENERGY: 2033400 740.0750 2062.9963 1980.5631 112.7645 -206074.2701 17740.2301 0.0000 0.0000 34160.3169 -149277.3243 298.3305 -183437.6412 -149181.5499 298.6599 -174.9094 -142.2262 559268.6583 -10.5629 -10.7391 PRESSURE: 2033600 -413.221 -30.2235 261.913 -30.2246 -130.374 -36.9963 261.913 -36.9959 -215.502 GPRESSURE: 2033600 -339.159 -24.1452 263.286 37.892 -171.053 -33.703 252.326 -73.6063 -153.807 PRESSAVG: 2033600 79.7277 -2.98433 33.89 -2.98429 -17.2208 -27.4002 33.89 -27.4001 -67.7434 GPRESSAVG: 2033600 78.5512 -3.77394 36.5544 -1.65275 -15.8934 -26.1172 32.6893 -27.0524 -67.7746 TIMING: 2033600 CPU: 5900.84, 0.00287043/step Wall: 5900.84, 0.00287043/step, 2.36524 hours remaining, 206.644531 MB of memory in use. ENERGY: 2033600 762.3316 2091.6480 1957.7653 107.8954 -205794.6483 17493.0396 0.0000 0.0000 34184.9269 -149197.0415 298.5455 -183381.9684 -149098.3680 299.1954 -253.0325 -221.3396 559053.1685 -1.7455 -1.7056 PRESSURE: 2033800 -43.4728 -72.7006 54.3225 -72.7006 -57.4212 -160.36 54.3222 -160.36 -268.522 GPRESSURE: 2033800 -46.0009 -178.733 125.977 -9.17633 -5.77063 -190.683 11.2563 -164.715 -209.333 PRESSAVG: 2033800 42.5217 26.4854 52.0459 26.4854 -44.1929 -32.7241 52.0459 -32.7241 16.5519 GPRESSAVG: 2033800 42.443 27.2329 50.9674 25.7584 -44.1958 -29.9871 53.9029 -34.8036 16.6305 TIMING: 2033800 CPU: 5901.42, 0.00286312/step Wall: 5901.42, 0.00286312/step, 2.35906 hours remaining, 206.644531 MB of memory in use. ENERGY: 2033800 741.9929 2028.2573 2011.7358 129.8694 -206101.1080 17658.9031 0.0000 0.0000 34336.2526 -149194.0969 299.8670 -183530.3495 -149092.5442 299.4713 -123.1388 -87.0350 558168.4110 4.9603 4.9593 PRESSURE: 2034000 24.1507 34.2811 131.426 34.2816 -78.0348 26.7448 131.426 26.744 -152.391 GPRESSURE: 2034000 38.8407 65.0158 28.1497 45.9378 -2.5333 132.793 165.761 3.5148 -144.744 PRESSAVG: 2034000 -13.6821 8.57887 41.3615 8.57878 8.43686 -1.24438 41.3614 -1.24442 23.7356 GPRESSAVG: 2034000 -12.7764 6.51539 40.3476 8.31407 7.54959 -3.51275 40.9257 1.59208 23.8651 TIMING: 2034000 CPU: 5901.99, 0.00286557/step Wall: 5901.99, 0.00286556/step, 2.36091 hours remaining, 206.644531 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: 2034000 743.7670 2086.0815 1946.5584 101.9332 -205906.5991 17579.7443 0.0000 0.0000 34332.9434 -149115.5711 299.8381 -183448.5145 -149021.0353 299.1306 -68.7583 -36.1456 557615.1305 6.1635 6.2128 PRESSURE: 2034200 77.9666 99.5855 2.70124 99.5875 -65.6296 -78.3552 2.70051 -78.3534 -253.963 GPRESSURE: 2034200 80.1968 96.9382 -59.5618 159.784 -69.6308 -65.7747 60.6077 -79.9809 -166.516 PRESSAVG: 2034200 9.9944 34.3469 73.2078 34.3468 -33.0932 66.823 73.2077 66.823 12.3024 GPRESSAVG: 2034200 10.1627 35.4158 74.799 32.8731 -33.457 67.2795 73.5328 64.6001 12.2896 TIMING: 2034200 CPU: 5902.56, 0.00286257/step Wall: 5902.56, 0.00286257/step, 2.35828 hours remaining, 206.644531 MB of memory in use. ENERGY: 2034200 766.1848 2131.9559 1977.8528 98.5599 -206262.1124 17805.7105 0.0000 0.0000 34358.5931 -149123.2554 300.0621 -183481.8485 -149024.3947 299.2801 -80.5420 -51.9832 558243.5322 -3.5988 -3.6682 PRESSURE: 2034400 296.583 -0.278031 49.9018 -0.278659 106.039 130.434 49.9021 130.433 58.4634 GPRESSURE: 2034400 309.171 -30.8965 75.4984 -51.3835 134.188 116.118 -5.80874 77.3234 120.533 PRESSAVG: 2034400 -40.4733 -42.536 -11.3216 -42.5359 -1.01101 21.4271 -11.3215 21.4271 8.62619 GPRESSAVG: 2034400 -40.6826 -42.0233 -11.6163 -39.5027 -1.11 22.0597 -11.2456 20.4224 8.88465 TIMING: 2034400 CPU: 5903.14, 0.0028619/step Wall: 5903.14, 0.0028619/step, 2.35757 hours remaining, 206.937500 MB of memory in use. ENERGY: 2034400 705.0191 2096.8841 1982.3211 119.9444 -205886.4942 17888.1632 0.0000 0.0000 34078.7928 -149015.3696 297.6186 -183094.1623 -148918.8009 299.1775 153.6951 187.9639 558657.0449 -10.9527 -10.9693 PRESSURE: 2034600 -66.408 -84.9963 -26.565 -84.9957 -46.1964 91.5398 -26.5648 91.5404 65.9623 GPRESSURE: 2034600 -14.8198 -77.9715 -97.0567 -79.6237 -45.9691 1.71333 -23.7394 95.2903 104.002 PRESSAVG: 2034600 29.9668 -10.256 -1.63867 -10.2559 -7.6431 -19.579 -1.63869 -19.5789 -34.2675 GPRESSAVG: 2034600 29.5984 -12.128 -2.50003 -10.4241 -7.36306 -19.0247 -0.939333 -19.5989 -33.7932 TIMING: 2034600 CPU: 5903.71, 0.0028731/step Wall: 5903.71, 0.0028731/step, 2.36664 hours remaining, 206.937500 MB of memory in use. ENERGY: 2034600 765.8319 2044.5678 1942.4612 115.3696 -205996.6019 17806.0623 0.0000 0.0000 34470.1413 -148852.1677 301.0363 -183322.3090 -148760.8640 298.8142 -15.5474 14.4043 559155.5111 -3.9813 -3.8526 PRESSURE: 2034800 -51.5424 15.5909 -24.1019 15.5903 265.602 32.6421 -24.1025 32.6413 -31.1141 GPRESSURE: 2034800 -17.5155 33.9511 98.2634 -64.4556 262.206 11.4376 -74.4587 -31.2394 39.3034 PRESSAVG: 2034800 -2.39174 -19.1577 -23.637 -19.1579 -26.7559 9.91837 -23.6369 9.91837 51.775 GPRESSAVG: 2034800 -2.01992 -18.1158 -21.8008 -18.2304 -26.7358 7.59585 -23.9176 12.2419 51.743 TIMING: 2034800 CPU: 5904.29, 0.00288467/step Wall: 5904.29, 0.00288467/step, 2.37601 hours remaining, 206.937500 MB of memory in use. ENERGY: 2034800 714.0146 2113.2197 1969.6398 106.9352 -206368.3927 18015.6146 0.0000 0.0000 34424.6965 -149024.2722 300.6394 -183448.9687 -148922.4748 299.6325 60.9819 94.6648 559348.8984 7.5425 7.6624 PRESSURE: 2035000 -166.227 124.985 -136.621 124.983 -155.848 -121.131 -136.621 -121.13 -350.616 GPRESSURE: 2035000 -156.634 138.029 -161.381 118.121 -136.462 -67.8527 -96.7155 -148.819 -291.143 PRESSAVG: 2035000 3.66812 4.56951 -16.7055 4.56946 1.96675 52.0231 -16.7054 52.0231 16.7187 GPRESSAVG: 2035000 3.64686 3.2702 -18.6914 3.97901 1.13515 52.003 -16.8347 50.1232 17.4711 TIMING: 2035000 CPU: 5904.86, 0.00286384/step Wall: 5904.86, 0.00286384/step, 2.35869 hours remaining, 206.937500 MB of memory in use. ENERGY: 2035000 738.0316 2073.5536 1980.2680 104.6064 -205483.7871 17488.1363 0.0000 0.0000 34281.5734 -148817.6178 299.3895 -183099.1912 -148717.4564 299.0246 -224.2305 -194.7461 561465.3254 7.4512 7.4177 PRESSURE: 2035200 151.224 129.409 -44.5006 129.408 75.1255 33.9796 -44.4997 33.9793 271.113 GPRESSURE: 2035200 147.464 118.716 -97.864 161.025 169.668 33.4754 -30.2894 21.5891 284.844 PRESSAVG: 2035200 -9.21675 -1.06631 5.10791 -1.06632 -22.4159 -15.4578 5.10805 -15.4578 30.717 GPRESSAVG: 2035200 -8.47761 -0.682203 6.1095 -1.46346 -22.2654 -15.9251 4.99361 -12.4518 30.17 TIMING: 2035200 CPU: 5905.44, 0.00288342/step Wall: 5905.44, 0.00288342/step, 2.37466 hours remaining, 207.046875 MB of memory in use. ENERGY: 2035200 730.4003 2044.5385 1997.7128 108.4517 -206092.6605 18101.0339 0.0000 0.0000 34188.5814 -148921.9420 298.5774 -183110.5234 -148820.7075 299.5389 165.8206 200.6588 559749.6198 -0.3052 -0.1910 PRESSURE: 2035400 -84.1401 6.82682 -47.7241 6.82707 -205.758 13.6201 -47.7243 13.6199 20.0414 GPRESSURE: 2035400 -57.3415 -46.5388 -6.80981 40.0061 -165.638 21.9059 -116.517 -10.9018 55.1061 PRESSAVG: 2035400 -4.90275 33.1389 15.2789 33.1388 -41.1866 -60.0334 15.2789 -60.0333 112.42 GPRESSAVG: 2035400 -4.8629 34.3345 16.7061 31.8674 -41.4147 -58.1176 13.4127 -62.3142 112.608 TIMING: 2035400 CPU: 5906.01, 0.00287426/step Wall: 5906.01, 0.00287426/step, 2.36696 hours remaining, 207.046875 MB of memory in use. ENERGY: 2035400 719.3215 2073.9775 1964.0644 108.1997 -205770.6191 17655.9784 0.0000 0.0000 34200.3397 -149048.7379 298.6801 -183249.0776 -148954.6837 299.5688 -89.9521 -55.9579 559458.0353 22.1102 22.1100 PRESSURE: 2035600 -136.663 103.542 16.6261 103.542 -62.1829 98.7902 16.6256 98.7898 -19.3198 GPRESSURE: 2035600 -108.909 69.8042 -152.016 145.957 -62.6863 71.7509 55.2415 114.176 35.6661 PRESSAVG: 2035600 -57.1189 0.500918 25.6898 0.5009 -36.757 -7.03346 25.6898 -7.0335 50.6348 GPRESSAVG: 2035600 -57.8135 0.108775 26.2803 1.75316 -35.2498 -8.71818 27.2255 -6.70208 49.9538 TIMING: 2035600 CPU: 5906.59, 0.00287129/step Wall: 5906.59, 0.00287129/step, 2.36435 hours remaining, 207.046875 MB of memory in use. ENERGY: 2035600 720.0125 2111.8912 1975.5329 115.5029 -205824.6883 17603.5916 0.0000 0.0000 34386.3570 -148911.8003 300.3046 -183298.1573 -148814.6909 298.8219 -72.7218 -45.3097 558350.2235 -14.4137 -14.3698 PRESSURE: 2035800 -132.412 -41.7071 49.189 -41.7069 -41.5149 -124.436 49.1889 -124.434 88.0583 GPRESSURE: 2035800 -72.7187 -0.012459 61.0555 -77.6677 -7.00252 -129.393 -3.27254 -196.351 78.2153 PRESSAVG: 2035800 -8.01569 -56.6867 -8.91923 -56.6867 31.8546 -14.6813 -8.91927 -14.6813 -13.054 GPRESSAVG: 2035800 -6.94338 -55.9274 -8.25002 -57.4345 31.5563 -13.0171 -10.5151 -15.0962 -13.7225 TIMING: 2035800 CPU: 5907.16, 0.00284799/step Wall: 5907.16, 0.00284799/step, 2.34501 hours remaining, 207.046875 MB of memory in use. ENERGY: 2035800 750.0732 2050.8379 1987.4183 131.3849 -205939.5705 17928.1550 0.0000 0.0000 34252.5120 -148839.1892 299.1357 -183091.7012 -148751.8700 300.2879 -28.6230 -0.5019 559080.7980 3.5950 3.6301 PRESSURE: 2036000 -168.843 83.7243 -2.26945 83.7248 -217.077 14.4429 -2.27125 14.4436 -117.638 GPRESSURE: 2036000 -125.373 153.683 -14.125 130.184 -159.899 -40.1689 104.653 32.0784 -119.504 PRESSAVG: 2036000 -58.6576 -16.5178 26.325 -16.5178 -34.3166 -26.2385 26.325 -26.2385 16.1396 GPRESSAVG: 2036000 -58.7499 -17.6037 25.3064 -17.3695 -35.0824 -28.0582 27.1805 -26.3076 17.2913 TIMING: 2036000 CPU: 5907.72, 0.00284369/step Wall: 5907.72, 0.00284369/step, 2.34131 hours remaining, 207.046875 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: 2036000 751.6404 2053.4473 1960.3230 102.4509 -205743.1149 17636.4453 0.0000 0.0000 34463.1830 -148775.6250 300.9755 -183238.8080 -148675.1675 300.0059 -167.8526 -134.9253 559276.3339 -25.6115 -25.5137 PRESSURE: 2036200 -211.852 -11.3557 -152.976 -11.3562 176.234 112.479 -152.976 112.479 -7.29779 GPRESSURE: 2036200 -117.957 -73.1225 -89.3591 24.7603 151.751 142.088 -169.738 -44.3146 39.8698 PRESSAVG: 2036200 -127.062 6.8133 -5.42098 6.81343 99.1851 -32.4072 -5.42089 -32.4071 0.676479 GPRESSAVG: 2036200 -127.745 7.40902 -5.36577 8.44181 99.5691 -32.2533 -6.09604 -31.7493 0.751746 TIMING: 2036200 CPU: 5908.29, 0.00285008/step Wall: 5908.29, 0.00285008/step, 2.3464 hours remaining, 207.046875 MB of memory in use. ENERGY: 2036200 756.1110 2102.9380 1967.1008 126.6959 -205627.9617 17429.9074 0.0000 0.0000 34307.4622 -148937.7463 299.6156 -183245.2085 -148839.4548 299.8635 -14.3053 24.5545 558432.4972 -9.0670 -9.1412 LDB: ============= START OF LOAD BALANCING ============== 5911.76 LDB: ============== END OF LOAD BALANCING =============== 5911.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5911.76 LDB: ============= START OF LOAD BALANCING ============== 5912.05 LDB: Largest compute 4820 load 0.029342 is 24.9% of average load 0.117750 LDB: Average compute 0.001726 is 1.5% of average load 0.117750 LDB: TIME 5912.05 LOAD: AVG 0.11775 MAX 0.176908 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.918 MB LDB: TIME 5912.05 LOAD: AVG 0.11775 MAX 0.176908 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: TIME 5912.05 LOAD: AVG 0.11775 MAX 0.176908 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5912.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5912.05 PRESSURE: 2036400 166.055 -104.339 -147.218 -104.337 -195.01 -26.1873 -147.217 -26.187 -187.468 GPRESSURE: 2036400 170.826 31.3681 -158.375 -129.522 -141.239 43.3963 -153.144 -89.5686 -144.561 PRESSAVG: 2036400 -39.5463 -28.586 17.5136 -28.5861 42.6651 -64.7864 17.5136 -64.7863 52.0081 GPRESSAVG: 2036400 -39.5186 -29.4192 15.7923 -30.9187 43.4709 -65.4087 18.2409 -65.5285 51.4723 TIMING: 2036400 CPU: 5908.88, 0.00292141/step Wall: 5908.88, 0.00292141/step, 2.40497 hours remaining, 206.128906 MB of memory in use. ENERGY: 2036400 760.2049 2080.6319 1956.2775 123.7979 -206170.0477 17752.4084 0.0000 0.0000 34361.9318 -149134.7953 300.0913 -183496.7271 -149036.3617 299.5720 -72.1410 -38.3246 558554.9798 18.3756 18.4749 PRESSURE: 2036600 160.044 -55.355 -6.94515 -55.3548 82.6675 -61.1897 -6.94431 -61.1913 173.722 GPRESSURE: 2036600 211.023 -190.364 -6.21919 -65.9444 115.887 -85.4338 -88.3327 -68.4576 185.744 PRESSAVG: 2036600 64.228 -16.1332 -45.9823 -16.1332 -0.508468 -50.5671 -45.9823 -50.5671 -25.72 GPRESSAVG: 2036600 63.5914 -17.1698 -45.9199 -15.5678 -0.371901 -50.7354 -46.0827 -49.1607 -25.0503 TIMING: 2036600 CPU: 5909.46, 0.00289978/step Wall: 5909.46, 0.00289978/step, 2.387 hours remaining, 206.332031 MB of memory in use. ENERGY: 2036600 735.3654 2097.4223 1998.9507 107.9876 -206112.2976 17856.8930 0.0000 0.0000 34144.8511 -149170.8275 298.1955 -183315.6786 -149071.1469 299.2903 138.8111 170.8845 556644.9205 12.6665 12.7231 PRESSURE: 2036800 -36.155 19.2126 113.64 19.2132 -111.936 -60.6281 113.64 -60.6274 -155.956 GPRESSURE: 2036800 14.1317 116.551 6.27522 -35.6025 -91.8849 -73.9352 166.879 40.3582 -127.366 PRESSAVG: 2036800 48.1102 5.24684 -14.0918 5.24696 -24.2796 -45.8772 -14.0917 -45.8771 -18.0132 GPRESSAVG: 2036800 48.9956 9.24539 -14.7996 5.90608 -24.278 -46.2672 -12.4269 -45.8748 -18.7475 TIMING: 2036800 CPU: 5910.04, 0.00288834/step Wall: 5910.04, 0.00288834/step, 2.37742 hours remaining, 206.332031 MB of memory in use. ENERGY: 2036800 725.0323 2122.8052 1979.4449 120.5090 -205813.9725 17656.8507 0.0000 0.0000 34072.0443 -149137.2860 297.5596 -183209.3303 -149044.2209 299.6377 -101.3490 -68.3732 559088.5412 1.9391 1.9900 PRESSURE: 2037000 58.151 155.001 -150.605 155.002 -143.215 137.787 -150.604 137.787 -210.737 GPRESSURE: 2037000 118.71 158.35 -85.5325 198.375 -151.707 -34.4406 -200.462 117.871 -170.248 PRESSAVG: 2037000 30.2288 33.9295 -72.8479 33.9296 -16.4821 -21.3724 -72.8478 -21.3725 -11.1738 GPRESSAVG: 2037000 29.3914 33.7884 -71.928 32.9854 -16.492 -21.2135 -72.6931 -22.8731 -10.8566 TIMING: 2037000 CPU: 5910.61, 0.00287777/step Wall: 5910.61, 0.00287777/step, 2.36856 hours remaining, 206.332031 MB of memory in use. ENERGY: 2037000 731.4023 2084.5926 2002.4215 129.1004 -206292.3529 17862.9539 0.0000 0.0000 34401.3491 -149080.5330 300.4355 -183481.8821 -148981.0966 299.8458 -98.6004 -67.7484 556718.6458 0.8577 0.6809 PRESSURE: 2037200 194.982 47.4016 -51.0724 47.4018 -351.139 -9.01187 -51.0724 -9.01334 92.6671 GPRESSURE: 2037200 215.094 56.8339 -28.6522 105.343 -306.045 57.0928 -93.3075 -79.091 125.942 PRESSAVG: 2037200 47.8332 19.4942 -36.0504 19.4943 -24.2173 18.6948 -36.0504 18.6948 -9.21328 GPRESSAVG: 2037200 48.1462 18.1107 -35.8147 20.0475 -23.594 20.3545 -37.3223 18.9415 -10.312 TIMING: 2037200 CPU: 5911.19, 0.00287269/step Wall: 5911.19, 0.00287269/step, 2.36422 hours remaining, 206.332031 MB of memory in use. ENERGY: 2037200 767.8377 2079.5914 1985.8113 125.6498 -206035.5522 17796.4674 0.0000 0.0000 34247.5582 -149032.6364 299.0924 -183280.1945 -148941.9124 300.1312 -21.1635 11.6638 558540.9226 4.8009 4.7467 PRESSURE: 2037400 150.127 -47.0308 103.104 -47.0324 -53.5998 -132.353 103.104 -132.352 -191.578 GPRESSURE: 2037400 188.24 45.5689 114.584 -101.572 -23.4627 -125.875 188.419 -63.195 -158.081 PRESSAVG: 2037400 39.4414 28.4267 -7.56145 28.4267 -72.5484 -8.02483 -7.56144 -8.02475 80.1363 GPRESSAVG: 2037400 39.2227 28.5674 -8.09373 30.7621 -72.1234 -9.11223 -5.13223 -5.71088 79.7749 TIMING: 2037400 CPU: 5911.76, 0.00288362/step Wall: 5911.76, 0.00288362/step, 2.37306 hours remaining, 206.332031 MB of memory in use. ENERGY: 2037400 735.8739 2046.9066 1980.7335 115.1986 -206001.4166 17772.5534 0.0000 0.0000 34270.9280 -149079.2224 299.2965 -183350.1504 -148989.8166 299.8276 -31.6833 2.2320 558763.9827 15.6764 15.6247 PRESSURE: 2037600 -158.879 39.8181 -111.687 39.8176 -220.34 52.13 -111.688 52.1307 55.8839 GPRESSURE: 2037600 -93.0749 21.2863 -127.91 55.0469 -201.441 63.9862 -106.53 92.3549 71.2712 PRESSAVG: 2037600 28.6865 -22.6251 -12.4415 -22.6252 2.58713 -8.42468 -12.4414 -8.42453 -18.1796 GPRESSAVG: 2037600 28.3915 -23.9945 -9.85632 -23.9601 2.16583 -8.02948 -15.0855 -10.21 -17.663 TIMING: 2037600 CPU: 5912.33, 0.00285385/step Wall: 5912.33, 0.00285385/step, 2.3484 hours remaining, 206.332031 MB of memory in use. ENERGY: 2037600 776.7993 2081.9197 1998.6926 124.1120 -206135.4212 17664.5812 0.0000 0.0000 34452.1935 -149037.1230 300.8796 -183489.3165 -148942.2472 300.0613 -107.7784 -74.4147 556856.3590 4.3647 4.2981 PRESSURE: 2037800 -163.683 -58.9394 35.4536 -58.9405 -23.1839 -165.259 35.4522 -165.26 -166.768 GPRESSURE: 2037800 -158.018 -39.6158 -64.8633 -78.7866 -16.9153 -89.8775 114.914 -206.672 -88.9282 PRESSAVG: 2037800 -15.5461 32.7685 -3.45153 32.7686 -1.61146 -58.3556 -3.45151 -58.3557 17.2847 GPRESSAVG: 2037800 -15.297 34.7262 -7.44448 30.853 -1.66339 -59.5038 -2.53725 -57.1345 17.2529 TIMING: 2037800 CPU: 5912.91, 0.00287005/step Wall: 5912.91, 0.00287005/step, 2.36157 hours remaining, 206.332031 MB of memory in use. ENERGY: 2037800 755.7150 2082.8177 1985.1005 126.7897 -206152.7303 17719.7832 0.0000 0.0000 34706.6080 -148775.9162 303.1014 -183482.5242 -148674.0446 300.8850 -117.8782 -87.9537 556966.8126 0.0424 0.0975 PRESSURE: 2038000 252.36 -14.1514 -253.409 -14.1509 200.778 125.787 -253.408 125.787 150.179 GPRESSURE: 2038000 262.984 116.966 -226.837 -13.4953 230.783 46.9615 -179.19 102.623 205.558 PRESSAVG: 2038000 -42.9324 9.0872 -10.1133 9.08725 35.3356 -72.4226 -10.1135 -72.4226 -6.62328 GPRESSAVG: 2038000 -42.3602 8.10177 -6.555 11.3915 36.1753 -72.6589 -11.1273 -70.501 -7.49755 TIMING: 2038000 CPU: 5913.48, 0.00287119/step Wall: 5913.48, 0.00287119/step, 2.36235 hours remaining, 206.332031 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: 2038000 744.5097 2049.6311 1990.6942 131.3900 -206558.0364 18194.7217 0.0000 0.0000 34552.4649 -148894.6247 301.7553 -183447.0897 -148797.6946 300.0712 201.1058 233.1082 556058.9008 -4.7400 -4.5608 PRESSURE: 2038200 -97.9083 96.1098 -3.01479 96.109 140.924 74.8407 -3.0144 74.8419 145.381 GPRESSURE: 2038200 -33.493 117.956 -38.3152 138.945 157.399 54.2514 -25.7147 87.1694 152.044 PRESSAVG: 2038200 -5.85968 29.7714 3.9106 29.7713 61.9477 16.8294 3.91073 16.8296 -6.62802 GPRESSAVG: 2038200 -6.08401 31.9174 0.789332 27.0152 61.5563 17.5355 4.13342 14.5584 -5.85829 TIMING: 2038200 CPU: 5914.06, 0.00288407/step Wall: 5914.06, 0.00288407/step, 2.37279 hours remaining, 206.332031 MB of memory in use. ENERGY: 2038200 727.7196 2122.2013 1975.0936 112.0874 -206036.2292 17893.9608 0.0000 0.0000 34301.3759 -148903.7907 299.5624 -183205.1666 -148805.3745 300.0113 62.7987 91.9832 558138.4263 16.4867 16.5380 PRESSURE: 2038400 -132.286 27.6255 -133.154 27.6264 -299.684 203.839 -133.153 203.84 -131.309 GPRESSURE: 2038400 -75.0982 84.9902 -131.072 -54.1568 -241.789 225.695 14.2639 118.504 -153.624 PRESSAVG: 2038400 70.0044 72.8722 13.7709 72.8722 0.605916 45.6039 13.771 45.6039 -98.7724 GPRESSAVG: 2038400 69.565 68.8553 14.7027 75.6692 0.940754 46.3422 15.3544 45.1488 -98.4487 TIMING: 2038400 CPU: 5914.64, 0.00288744/step Wall: 5914.64, 0.00288744/step, 2.3754 hours remaining, 206.332031 MB of memory in use. ENERGY: 2038400 761.7364 2176.5243 1976.1523 121.4695 -205843.8643 17620.7822 0.0000 0.0000 34215.8305 -148971.3691 298.8154 -183187.1996 -148882.3880 300.0024 -187.7599 -156.8370 558030.0196 -9.3874 -9.3143 PRESSURE: 2038600 130.746 45.4459 45.9309 45.4454 106.269 -20.7588 45.9296 -20.7579 21.0132 GPRESSURE: 2038600 181.067 7.98988 106.649 43.2215 163.78 38.2131 -5.20542 48.6837 6.72285 PRESSAVG: 2038600 53.0451 18.5082 46.0957 18.5083 -5.35195 55.6335 46.0958 55.6335 -20.5484 GPRESSAVG: 2038600 53.4508 21.4165 46.4128 16.6342 -5.58723 55.9699 45.7537 55.8159 -20.4263 TIMING: 2038600 CPU: 5915.21, 0.00288234/step Wall: 5915.21, 0.00288234/step, 2.37104 hours remaining, 206.332031 MB of memory in use. ENERGY: 2038600 765.5152 2087.4196 1963.2604 113.7384 -206333.9000 18000.1303 0.0000 0.0000 34285.9949 -149117.8412 299.4281 -183403.8361 -149025.5216 299.1696 86.0094 117.1900 557539.0085 9.0482 9.1458 PRESSURE: 2038800 -41.9639 -117.879 -48.376 -117.878 168.501 85.2418 -48.3766 85.2406 -1.16832 GPRESSURE: 2038800 17.7829 -90.2074 10.9691 -74.416 198.112 -3.65653 -64.0787 120.12 5.21832 PRESSAVG: 2038800 10.6129 31.159 -12.4695 31.1589 63.8556 5.54135 -12.4695 5.54144 -54.8668 GPRESSAVG: 2038800 9.53 30.9057 -12.989 31.4535 64.2432 6.40415 -13.8739 4.90423 -54.8453 TIMING: 2038800 CPU: 5915.79, 0.00287823/step Wall: 5915.79, 0.00287823/step, 2.3675 hours remaining, 206.332031 MB of memory in use. ENERGY: 2038800 707.1447 2098.3662 1979.1091 108.7444 -206398.7263 17923.6370 0.0000 0.0000 34504.2888 -149077.4362 301.3345 -183581.7249 -148979.2869 299.3865 41.7896 73.7044 558150.4506 6.5339 6.3093 PRESSURE: 2039000 95.938 130.553 36.7995 130.553 99.3827 49.7233 36.7998 49.7226 -80.5786 GPRESSURE: 2039000 136.023 100.032 204.642 36.8023 105.44 48.8032 -18.419 96.9227 -30.6005 PRESSAVG: 2039000 39.7272 12.8514 21.5113 12.8514 -11.478 51.18 21.5113 51.1799 -23.995 GPRESSAVG: 2039000 40.7435 12.1181 22.0708 13.4271 -12.0195 48.9771 21.5029 52.6954 -24.6167 TIMING: 2039000 CPU: 5916.36, 0.00285504/step Wall: 5916.36, 0.00285504/step, 2.34827 hours remaining, 206.332031 MB of memory in use. ENERGY: 2039000 749.4430 2033.9198 1974.4133 122.9897 -206258.9488 17954.9977 0.0000 0.0000 34380.7153 -149042.4701 300.2553 -183423.1854 -148944.9958 299.8964 38.2474 70.2876 558952.4784 1.4181 1.3691 PRESSURE: 2039200 -52.1916 43.2013 -59.319 43.2 135.862 46.7832 -59.3205 46.784 36.1767 GPRESSURE: 2039200 -55.1666 53.6976 -74.3346 58.348 160.245 99.2378 -36.7771 54.7798 103.838 PRESSAVG: 2039200 -19.5692 17.5718 38.0195 17.5718 27.593 -4.61003 38.0196 -4.61007 -13.039 GPRESSAVG: 2039200 -20.7177 19.2335 36.2242 14.5577 26.8989 -4.30088 37.4032 -6.54727 -10.8542 TIMING: 2039200 CPU: 5916.93, 0.0028751/step Wall: 5916.93, 0.0028751/step, 2.36461 hours remaining, 206.332031 MB of memory in use. ENERGY: 2039200 741.8527 2023.4127 1990.5798 112.5642 -206153.0734 17952.6618 0.0000 0.0000 34425.8865 -148906.1156 300.6498 -183332.0021 -148816.7904 299.7873 39.9489 69.6387 557474.6086 -1.6717 -1.5576 PRESSURE: 2039400 311.527 47.6875 -68.7765 47.687 158.168 -91.8827 -68.7776 -91.8823 129.265 GPRESSURE: 2039400 329.426 23.6485 -56.4736 40.6776 260.357 -202.861 -68.0475 -34.9624 118.965 PRESSAVG: 2039400 28.5892 -21.5426 5.07069 -21.5425 9.92683 14.8669 5.07073 14.8669 -35.2764 GPRESSAVG: 2039400 29.8116 -21.9457 6.27482 -19.4314 11.6606 14.9327 5.62373 16.0971 -37.852 TIMING: 2039400 CPU: 5917.51, 0.00286258/step Wall: 5917.51, 0.00286258/step, 2.35415 hours remaining, 206.332031 MB of memory in use. ENERGY: 2039400 726.7244 2107.2920 1990.2809 115.8042 -206492.0687 18112.1686 0.0000 0.0000 34394.7324 -149045.0662 300.3778 -183439.7985 -148957.4936 300.7488 199.6532 236.2491 557599.1403 1.0799 1.2067 PRESSURE: 2039600 -129.036 -123.853 -59.7275 -123.852 43.7119 -51.3413 -59.7284 -51.3414 -290.243 GPRESSURE: 2039600 -80.0802 -114.483 -82.7814 -71.4113 -1.01519 -60.8126 -79.3634 -35.1072 -191.348 PRESSAVG: 2039600 15.7281 -25.983 9.56884 -25.983 47.6052 -3.83925 9.56884 -3.83917 -17.486 GPRESSAVG: 2039600 15.6132 -26.4753 8.14684 -26.019 45.0646 -4.52878 9.86179 -3.93444 -14.8828 TIMING: 2039600 CPU: 5918.08, 0.00285744/step Wall: 5918.08, 0.00285744/step, 2.34977 hours remaining, 206.332031 MB of memory in use. ENERGY: 2039600 750.1387 2087.5179 1945.2857 106.6603 -206099.2316 17800.3066 0.0000 0.0000 34413.0644 -148996.2579 300.5379 -183409.3223 -148906.5503 299.5822 -125.1889 -90.8146 557407.2015 15.2825 15.2650 PRESSURE: 2039800 159.065 -104.413 -129.556 -104.413 189.538 -35.347 -129.557 -35.348 39.7483 GPRESSURE: 2039800 165.412 -95.2693 -109.831 -132.053 193.593 4.59569 -87.7562 -75.7373 126.615 PRESSAVG: 2039800 -18.3224 -19.2006 -11.0546 -19.2006 39.7362 -52.0061 -11.0547 -52.0061 -3.83743 GPRESSAVG: 2039800 -18.023 -19.1745 -9.98901 -18.8612 41.2552 -53.437 -10.1158 -52.472 -5.50501 TIMING: 2039800 CPU: 5918.65, 0.00284694/step Wall: 5918.65, 0.00284694/step, 2.34098 hours remaining, 206.332031 MB of memory in use. ENERGY: 2039800 723.9907 2029.7182 1967.6858 109.8224 -206266.2446 18007.6518 0.0000 0.0000 34305.0183 -149122.3573 299.5943 -183427.3756 -149028.6792 299.7891 129.4502 161.8737 555926.1911 5.8588 5.9091 PRESSURE: 2040000 -64.5614 -143.934 -11.1282 -143.934 50.3717 -4.92821 -11.1279 -4.9283 -142.361 GPRESSURE: 2040000 17.5524 -168.927 49.0224 -112.634 42.0568 -20.2193 3.8176 5.91538 -111.4 PRESSAVG: 2040000 -5.75694 24.2588 -32.544 24.2589 63.4679 -47.3377 -32.544 -47.3377 -46.1401 GPRESSAVG: 2040000 -6.96057 23.4406 -33.0592 26.0902 64.7872 -44.1227 -33.1642 -49.8677 -45.983 TIMING: 2040000 CPU: 5919.22, 0.00287271/step Wall: 5919.22, 0.00287271/step, 2.36201 hours remaining, 206.332031 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: 2040000 763.8345 2068.9496 1973.0539 117.1794 -206253.5992 17784.0618 0.0000 0.0000 34400.7231 -149145.7969 300.4301 -183546.5200 -149046.4071 299.7073 -52.1837 -17.2637 556814.0815 3.8570 3.9479 PRESSURE: 2040200 -148.891 143.143 98.721 143.143 -45.2643 -93.0042 98.7216 -93.0039 -38.6958 GPRESSURE: 2040200 -151.719 163.825 97.2196 160.564 -17.2272 -87.5586 201.861 -131.137 32.0385 PRESSAVG: 2040200 21.486 -28.8694 -24.8276 -28.8694 -21.6012 -30.0774 -24.8277 -30.0773 -5.3936 GPRESSAVG: 2040200 21.9624 -27.7803 -23.9618 -29.9051 -22.9262 -31.8217 -25.2732 -27.9094 -5.16506 TIMING: 2040200 CPU: 5919.8, 0.00287449/step Wall: 5919.8, 0.00287449/step, 2.36331 hours remaining, 206.332031 MB of memory in use. ENERGY: 2040200 690.8479 2059.2871 1968.3443 104.5938 -206110.1641 17765.9793 0.0000 0.0000 34356.8886 -149164.2230 300.0473 -183521.1116 -149051.3661 299.2920 -77.6171 -45.6360 559023.4351 -1.8363 -2.0430 LDB: ============= START OF LOAD BALANCING ============== 5923.26 LDB: ============== END OF LOAD BALANCING =============== 5923.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5923.26 LDB: ============= START OF LOAD BALANCING ============== 5923.55 LDB: Largest compute 4820 load 0.027921 is 23.7% of average load 0.117720 LDB: Average compute 0.001727 is 1.5% of average load 0.117720 LDB: TIME 5923.55 LOAD: AVG 0.11772 MAX 0.176192 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 5923.55 LOAD: AVG 0.11772 MAX 0.176192 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: TIME 5923.55 LOAD: AVG 0.11772 MAX 0.176192 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: ============== END OF LOAD BALANCING =============== 5923.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5923.56 PRESSURE: 2040400 -31.9688 63.9021 -165.007 63.9047 -86.8715 -107.836 -165.006 -107.837 -71.0978 GPRESSURE: 2040400 -25.2251 -42.4026 -112.86 111.16 -49.6452 -56.2882 -173.065 -112.906 -20.3181 PRESSAVG: 2040400 54.7316 -3.58681 20.5236 -3.58675 -41.6528 1.2287 20.5236 1.22874 -13.1895 GPRESSAVG: 2040400 55.6609 -6.36058 20.4383 -2.60095 -41.4712 0.846298 22.2019 0.350442 -14.194 TIMING: 2040400 CPU: 5920.38, 0.00292685/step Wall: 5920.38, 0.00292685/step, 2.4062 hours remaining, 205.296875 MB of memory in use. ENERGY: 2040400 764.9104 2085.2400 1963.8752 100.0499 -206074.0489 17766.6066 0.0000 0.0000 34278.9343 -149114.4325 299.3665 -183393.3667 -149017.7089 299.2245 -63.3127 -31.7295 556461.0752 -0.0369 -0.0014 PRESSURE: 2040600 -86.11 -121.218 -99.9435 -121.217 346.553 -60.1305 -99.9418 -60.1294 81.7268 GPRESSURE: 2040600 -105.111 -88.926 -138.347 -116.53 410.756 -28.5316 -47.8836 -108.339 120.972 PRESSAVG: 2040600 -46.8869 53.0341 41.5182 53.0342 -34.801 -60.1486 41.5182 -60.1485 24.6259 GPRESSAVG: 2040600 -47.5394 54.2297 40.1738 53.2363 -34.4787 -60.6138 38.9885 -57.1083 25.0546 TIMING: 2040600 CPU: 5920.96, 0.00287037/step Wall: 5920.96, 0.00287037/step, 2.3596 hours remaining, 205.500000 MB of memory in use. ENERGY: 2040600 760.2638 2029.6164 1922.9595 110.6817 -205891.3302 17823.3359 0.0000 0.0000 34267.5630 -148976.9098 299.2672 -183244.4728 -148878.9989 299.2032 114.0567 142.2059 557005.7466 -19.0206 -18.9878 PRESSURE: 2040800 -74.066 -52.7935 -215.257 -52.7933 -76.8316 83.2912 -215.256 83.2921 243.551 GPRESSURE: 2040800 -3.9474 -59.861 -203.735 -55.0792 -40.949 165.329 -194.349 -13.3247 240.242 PRESSAVG: 2040800 -42.5788 -3.24268 -52.1525 -3.24264 12.2594 -18.9547 -52.1524 -18.9546 14.5388 GPRESSAVG: 2040800 -42.7624 -3.62611 -50.9747 -5.36804 12.9769 -17.0853 -51.3231 -20.6852 14.3848 TIMING: 2040800 CPU: 5921.53, 0.00287558/step Wall: 5921.53, 0.00287558/step, 2.36373 hours remaining, 205.500000 MB of memory in use. ENERGY: 2040800 727.8256 2135.3655 1967.9528 107.4096 -205825.8271 17746.6894 0.0000 0.0000 34305.9425 -148834.6417 299.6023 -183140.5842 -148746.2316 300.2458 30.8844 65.1151 557449.3258 -5.2602 -5.1336 PRESSURE: 2041000 -138.233 -5.45521 56.3116 -5.45561 -114.552 -125.1 56.3106 -125.102 -141.441 GPRESSURE: 2041000 -168.036 81.8548 59.4682 -81.8155 -49.7882 -73.3701 93.9772 -246.816 -62.039 PRESSAVG: 2041000 -77.5831 28.9247 21.6867 28.9248 49.6266 5.19832 21.6866 5.1984 4.23939 GPRESSAVG: 2041000 -77.7764 28.6221 22.801 30.0999 49.0731 6.81136 21.1451 4.42126 4.98383 TIMING: 2041000 CPU: 5922.11, 0.00289193/step Wall: 5922.11, 0.00289193/step, 2.377 hours remaining, 205.500000 MB of memory in use. ENERGY: 2041000 766.6675 2050.2268 1961.5834 117.1391 -205448.4278 17643.4134 0.0000 0.0000 34058.8413 -148850.5563 297.4443 -182909.3976 -148759.5166 300.2181 -131.4086 -93.2879 558648.7367 -7.9057 -7.9065 PRESSURE: 2041200 100.798 -70.6995 -129.904 -70.698 94.0328 -103.046 -129.904 -103.046 -93.5444 GPRESSURE: 2041200 157.581 56.6818 -137.816 -163.938 97.713 -106.018 -139.677 -96.6258 -50.9168 PRESSAVG: 2041200 11.3364 -3.38253 -40.3843 -3.38251 17.1971 -34.8356 -40.3843 -34.8356 -15.2125 GPRESSAVG: 2041200 11.6003 -2.2651 -42.1532 -3.9038 17.4255 -33.9059 -41.3273 -35.7905 -15.7864 TIMING: 2041200 CPU: 5922.69, 0.00289505/step Wall: 5922.69, 0.00289505/step, 2.37941 hours remaining, 205.500000 MB of memory in use. ENERGY: 2041200 737.1108 2111.2912 1945.4297 107.8870 -206049.7687 17999.5058 0.0000 0.0000 34348.3941 -148800.1501 299.9731 -183148.5441 -148701.5508 299.9160 33.7623 68.1258 557694.9213 4.4403 4.4131 PRESSURE: 2041400 -134.895 115.088 -15.4118 115.087 251.724 -92.0183 -15.4121 -92.0173 -71.8242 GPRESSURE: 2041400 -96.2654 110.46 -18.8635 25.2034 316.252 -14.7386 -20.9296 -116.831 -67.4583 PRESSAVG: 2041400 -14.0053 11.0391 -46.2199 11.0392 34.415 -19.6042 -46.22 -19.6042 -4.24699 GPRESSAVG: 2041400 -14.5024 9.63108 -46.5375 11.8618 34.7373 -21.0047 -43.6902 -17.8591 -4.88844 TIMING: 2041400 CPU: 5923.27, 0.00288916/step Wall: 5923.27, 0.00288916/step, 2.37441 hours remaining, 205.500000 MB of memory in use. ENERGY: 2041400 736.9372 2069.4636 1969.6791 117.5033 -205570.0788 17545.0924 0.0000 0.0000 34274.4055 -148856.9978 299.3269 -183131.4033 -148765.5318 300.3697 15.0017 50.8428 556979.3094 5.3876 5.1155 PRESSURE: 2041600 -153.3 168.615 -22.8119 168.614 87.9878 7.12195 -22.8114 7.12047 -257.423 GPRESSURE: 2041600 -51.3965 140.249 -93.5944 181.689 98.8942 30.8378 -13.4753 -9.90333 -275.603 PRESSAVG: 2041600 14.181 51.5952 -59.8205 51.5952 9.44306 2.57266 -59.8204 2.57251 -22.9687 GPRESSAVG: 2041600 14.5706 51.7849 -58.8078 51.938 7.93603 0.418086 -60.0545 2.31101 -22.0266 TIMING: 2041600 CPU: 5923.85, 0.00289837/step Wall: 5923.85, 0.00289837/step, 2.38181 hours remaining, 205.500000 MB of memory in use. ENERGY: 2041600 738.6534 2069.7686 1945.0736 108.7477 -205767.5505 17637.3054 0.0000 0.0000 34274.4946 -148993.5071 299.3277 -183268.0017 -148898.8256 299.7422 -107.5783 -76.0352 558003.7237 0.2185 0.1600 PRESSURE: 2041800 -55.3209 24.2022 -46.9388 24.2032 131.831 -121.653 -46.9388 -121.654 104.349 GPRESSURE: 2041800 -28.759 -8.22965 -65.7359 -9.33273 164.356 -123.995 -40.8391 -124.136 138.808 PRESSAVG: 2041800 33.376 14.3441 -37.081 14.3442 9.33031 52.123 -37.081 52.1232 -43.8325 GPRESSAVG: 2041800 32.5459 12.8292 -37.0525 16.3722 9.67806 53.9303 -38.3748 52.1054 -43.1831 TIMING: 2041800 CPU: 5924.43, 0.00289412/step Wall: 5924.43, 0.00289412/step, 2.37816 hours remaining, 205.500000 MB of memory in use. ENERGY: 2041800 742.4573 2089.2252 1951.4223 122.7166 -206383.6982 18083.7200 0.0000 0.0000 34302.1161 -149092.0406 299.5689 -183394.1567 -148997.6778 299.5044 60.2863 91.4683 557242.6237 -0.3754 -0.3197 PRESSURE: 2042000 68.857 53.5236 -40.7617 53.5242 49.4879 -83.7648 -40.7626 -83.7646 327.67 GPRESSURE: 2042000 145.176 145.534 -33.7146 2.16084 85.7097 -129.835 35.1261 -10.301 315.786 PRESSAVG: 2042000 37.3443 3.47631 34.853 3.47633 -31.0433 -59.1027 34.853 -59.1026 -2.34342 GPRESSAVG: 2042000 38.284 6.17167 33.6784 -0.327417 -31.421 -62.4254 34.7482 -57.8115 -2.84621 TIMING: 2042000 CPU: 5925, 0.00288011/step Wall: 5925, 0.00288011/step, 2.36649 hours remaining, 205.500000 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: 2042000 715.7130 2068.3330 1948.4835 113.3440 -206038.7892 17789.6193 0.0000 0.0000 34217.7770 -149185.5193 298.8324 -183403.2963 -149081.6352 299.2692 148.6715 182.2238 557541.5963 1.3192 1.3389 PRESSURE: 2042200 -207.512 -74.2305 2.55198 -74.2318 64.3218 -6.73516 2.55195 -6.73621 2.80163 GPRESSURE: 2042200 -207.484 -41.8403 25.9213 -91.9968 93.0407 -14.383 15.545 -35.8091 62.6112 PRESSAVG: 2042200 -42.5663 21.7515 41.3147 21.7515 50.3757 14.0604 41.3148 14.0605 47.7426 GPRESSAVG: 2042200 -44.0557 19.8056 43.8924 23.1687 53.1725 16.0828 40.9253 11.5836 46.2064 TIMING: 2042200 CPU: 5925.58, 0.00289556/step Wall: 5925.58, 0.00289556/step, 2.37903 hours remaining, 205.500000 MB of memory in use. ENERGY: 2042200 780.2357 2143.7989 1969.6204 134.4542 -206179.3380 17800.0353 0.0000 0.0000 34211.6101 -149139.5833 298.7785 -183351.1934 -149045.6686 299.6485 -46.7961 -17.2774 556200.9100 18.5173 18.4411 PRESSURE: 2042400 -278.35 -78.7359 101.068 -78.7361 -208.829 9.97159 101.067 9.97101 -25.0824 GPRESSURE: 2042400 -200.144 -30.2889 136.853 -117.186 -201.149 -10.6404 88.7682 105.797 -22.3265 PRESSAVG: 2042400 -3.00123 4.41794 34.8811 4.41795 -26.2404 -21.0106 34.8811 -21.0107 20.7079 GPRESSAVG: 2042400 -1.3337 6.84164 32.8941 1.66837 -27.8016 -20.8887 36.0609 -19.7168 20.7328 TIMING: 2042400 CPU: 5926.15, 0.00286694/step Wall: 5926.15, 0.00286694/step, 2.35535 hours remaining, 205.500000 MB of memory in use. ENERGY: 2042400 756.8394 2117.0563 1954.9160 125.9239 -206145.2400 17599.1112 0.0000 0.0000 34450.2076 -149141.1857 300.8622 -183591.3932 -149037.6653 299.4927 -170.7537 -141.2067 558264.1317 -2.8446 -2.8009 PRESSURE: 2042600 192.12 16.4912 156.824 16.4926 43.2852 -32.687 156.823 -32.6869 50.0728 GPRESSURE: 2042600 175.051 4.48288 165.512 -51.3618 146.404 -46.8862 169.796 13.6839 59.0468 PRESSAVG: 2042600 58.6325 -12.5971 11.2034 -12.5971 -42.0524 0.355761 11.2034 0.355563 -20.1802 GPRESSAVG: 2042600 59.1835 -14.0156 12.3454 -10.1443 -43.1275 -0.975945 11.5889 3.02848 -18.8827 TIMING: 2042600 CPU: 5926.73, 0.0028723/step Wall: 5926.73, 0.0028723/step, 2.35959 hours remaining, 205.511719 MB of memory in use. ENERGY: 2042600 764.0765 2075.0642 1966.6605 119.5215 -206235.0559 18022.0872 0.0000 0.0000 34123.3568 -149164.2891 298.0078 -183287.6460 -149073.7205 299.7128 95.1594 126.8340 556909.0814 -1.2000 -0.9422 PRESSURE: 2042800 52.013 141.638 63.4487 141.637 117.328 63.926 63.4475 63.927 -73.3961 GPRESSURE: 2042800 113.605 116.527 84.7237 163.87 146.814 39.3833 13.2736 92.1193 -58.546 PRESSAVG: 2042800 15.3439 4.88298 1.93459 4.88299 -19.0536 -16.3348 1.9346 -16.3348 -17.2132 GPRESSAVG: 2042800 14.7197 5.96617 2.33255 2.58904 -18.0274 -13.8488 0.511312 -19.4539 -17.5374 TIMING: 2042800 CPU: 5927.31, 0.00289989/step Wall: 5927.31, 0.00289989/step, 2.3821 hours remaining, 205.511719 MB of memory in use. ENERGY: 2042800 782.3574 2069.8121 2026.5571 118.8889 -206369.4033 17954.1428 0.0000 0.0000 34269.6729 -149147.9722 299.2856 -183417.6451 -149055.8747 299.0283 31.9816 67.2911 556530.7941 -6.9743 -6.9483 PRESSURE: 2043000 -118.058 -217.146 5.66355 -217.146 -92.9606 -21.2896 5.66337 -21.2881 21.4016 GPRESSURE: 2043000 -146.62 -218.044 8.44983 -215.177 6.77441 2.03489 -10.8393 24.6003 62.3469 PRESSAVG: 2043000 16.1541 -37.197 28.004 -37.197 -34.8754 16.2323 28.0039 16.2323 -7.17164 GPRESSAVG: 2043000 15.628 -37.1151 28.3366 -36.5662 -34.3144 13.0293 28.0223 16.9303 -6.67808 TIMING: 2043000 CPU: 5927.88, 0.00287906/step Wall: 5927.88, 0.00287906/step, 2.36483 hours remaining, 205.511719 MB of memory in use. ENERGY: 2043000 722.4405 2092.7947 1966.3571 121.6610 -206017.7086 17675.4403 0.0000 0.0000 34153.6987 -149285.3162 298.2727 -183439.0149 -149186.6487 298.9727 -63.2058 -25.8327 558033.6195 -8.6310 -8.4548 PRESSURE: 2043200 101.809 -29.8855 -71.0517 -29.8873 249.957 27.7938 -71.0521 27.7926 -125.267 GPRESSURE: 2043200 107.737 -42.28 7.33129 -11.367 307.552 53.3747 -79.01 53.1241 -107.563 PRESSAVG: 2043200 50.9448 -73.4022 45.9765 -73.4022 -28.8132 -31.3556 45.9765 -31.3556 -31.9567 GPRESSAVG: 2043200 51.1401 -75.0729 42.8342 -71.5907 -28.3822 -29.2266 46.9216 -30.9401 -33.2459 TIMING: 2043200 CPU: 5928.46, 0.00287027/step Wall: 5928.46, 0.00287027/step, 2.35745 hours remaining, 205.511719 MB of memory in use. ENERGY: 2043200 730.0127 2111.2647 1973.5512 119.6743 -206349.0198 17889.2839 0.0000 0.0000 34251.4997 -149273.7333 299.1269 -183525.2329 -149177.5601 298.9002 75.4996 102.5753 559381.4267 -3.2750 -3.4960 PRESSURE: 2043400 -57.7412 -135.406 -2.68684 -135.406 16.5599 -226.145 -2.68876 -226.145 -152.265 GPRESSURE: 2043400 5.07074 -148.346 -58.1602 -88.1064 38.0887 -208.669 43.7115 -193.479 -140.245 PRESSAVG: 2043400 -30.6123 16.7768 -10.5813 16.7768 67.4499 -65.0141 -10.5813 -65.0141 1.65474 GPRESSAVG: 2043400 -29.7354 16.417 -8.47117 16.138 65.5767 -66.2473 -10.6647 -66.5162 3.32185 TIMING: 2043400 CPU: 5929.03, 0.00287836/step Wall: 5929.03, 0.00287836/step, 2.36394 hours remaining, 205.511719 MB of memory in use. ENERGY: 2043400 752.8243 2114.3367 1945.8033 105.0277 -205989.8042 17879.6656 0.0000 0.0000 34045.5429 -149146.6036 297.3282 -183192.1465 -149050.4696 298.7049 -64.4820 -32.3619 558759.4032 12.8308 13.0544 PRESSURE: 2043600 104.726 0.798336 -180.634 0.798146 -269.159 -12.9359 -180.634 -12.9371 52.0251 GPRESSURE: 2043600 162.973 30.9788 -262.472 -71.6657 -217.035 -22.3654 -114.294 -23.3943 43.964 PRESSAVG: 2043600 31.1744 -21.8848 -10.1794 -21.885 -38.695 -39.1416 -10.1794 -39.1415 33.3451 GPRESSAVG: 2043600 31.1278 -20.9685 -11.9746 -21.5139 -37.7195 -39.1304 -8.39547 -38.5166 31.855 TIMING: 2043600 CPU: 5929.61, 0.00287907/step Wall: 5929.61, 0.00287907/step, 2.36435 hours remaining, 205.511719 MB of memory in use. ENERGY: 2043600 733.3342 2077.6482 1975.4146 121.4317 -205859.6491 17760.9086 0.0000 0.0000 34231.1362 -148959.7757 298.9490 -183190.9119 -148861.9488 299.5274 -37.4692 -3.3659 558283.8648 8.6082 8.4211 PRESSURE: 2043800 -46.6909 160.363 27.1926 160.364 206.651 -63.5662 27.1923 -63.5655 0.319528 GPRESSURE: 2043800 -11.1375 125.016 28.6539 234.459 242.301 -100.926 8.0901 -21.2607 30.5125 PRESSAVG: 2043800 -35.0145 8.91999 21.7931 8.91999 -12.2459 -35.9185 21.793 -35.9184 62.1036 GPRESSAVG: 2043800 -34.6285 7.7761 21.2513 8.26187 -13.3197 -34.5958 22.5516 -36.2269 63.1423 TIMING: 2043800 CPU: 5930.19, 0.00288231/step Wall: 5930.19, 0.00288231/step, 2.36686 hours remaining, 205.511719 MB of memory in use. ENERGY: 2043800 753.4299 2159.5905 2000.7331 125.7348 -205843.6618 17627.2036 0.0000 0.0000 34269.2924 -148907.6774 299.2823 -183176.9698 -148809.4214 299.5768 53.4266 87.2253 557135.0742 4.9477 5.0647 PRESSURE: 2044000 112.169 -21.3333 3.90182 -21.3316 -3.12303 75.94 3.90195 75.9417 19.7622 GPRESSURE: 2044000 111.556 59.6959 -9.95433 -44.0245 28.5775 174.268 -34.5549 36.8913 79.9786 PRESSAVG: 2044000 5.16197 18.067 31.3717 18.067 -79.6573 -10.9055 31.3717 -10.9054 66.3938 GPRESSAVG: 2044000 4.28881 19.5744 31.4305 18.0534 -80.1066 -10.0977 29.414 -10.8024 66.8817 TIMING: 2044000 CPU: 5930.77, 0.00290504/step Wall: 5930.77, 0.00290504/step, 2.38536 hours remaining, 205.511719 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: 2044000 762.4948 2124.1457 1982.2023 115.0269 -206402.2484 17914.5805 0.0000 0.0000 34522.1153 -148981.6830 301.4902 -183503.7982 -148888.8701 299.7281 42.9362 73.3705 558270.9753 -2.7005 -2.9787 PRESSURE: 2044200 -229.201 90.2157 14.6465 90.2153 -155.948 -188.446 14.6452 -188.445 11.1391 GPRESSURE: 2044200 -145.157 20.079 39.1454 131.25 -112.486 -192.142 -17.6735 -97.7146 -28.1219 PRESSAVG: 2044200 -27.0893 -8.31008 38.2556 -8.31013 -0.518937 4.42238 38.2557 4.42246 8.83071 GPRESSAVG: 2044200 -28.0493 -7.62037 39.9569 -8.0707 0.0266774 4.67739 39.4256 4.39476 9.56227 TIMING: 2044200 CPU: 5931.34, 0.00288387/step Wall: 5931.34, 0.00288387/step, 2.36781 hours remaining, 205.511719 MB of memory in use. ENERGY: 2044200 761.7078 2101.0666 1995.9737 107.0490 -206199.9757 17716.9753 0.0000 0.0000 34401.0971 -149116.1063 300.4333 -183517.2034 -149017.3577 299.6364 -124.6700 -95.2549 557279.2981 -6.2592 -6.1534 LDB: ============= START OF LOAD BALANCING ============== 5934.81 LDB: ============== END OF LOAD BALANCING =============== 5934.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5934.81 LDB: ============= START OF LOAD BALANCING ============== 5935.1 LDB: Largest compute 4820 load 0.028872 is 24.5% of average load 0.117819 LDB: Average compute 0.001728 is 1.5% of average load 0.117819 LDB: TIME 5935.1 LOAD: AVG 0.117819 MAX 0.180685 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 5935.1 LOAD: AVG 0.117819 MAX 0.180685 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 5935.1 LOAD: AVG 0.117819 MAX 0.180685 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 5935.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5935.11 PRESSURE: 2044400 138.846 171.864 60.562 171.864 53.1227 -5.12956 60.5627 -5.12913 128.951 GPRESSURE: 2044400 178.971 172.201 40.8484 158.746 97.3129 38.8712 99.3842 -2.2896 145.65 PRESSAVG: 2044400 -43.0497 13.2683 -2.41549 13.2682 8.70429 -35.7148 -2.41543 -35.7148 4.11431 GPRESSAVG: 2044400 -41.3504 11.3999 -3.98141 13.3953 9.07448 -38.1107 -2.9396 -35.6739 2.19812 TIMING: 2044400 CPU: 5931.94, 0.00295803/step Wall: 5931.94, 0.00295803/step, 2.42854 hours remaining, 205.734375 MB of memory in use. ENERGY: 2044400 725.2809 2141.3215 1983.7946 119.7650 -206145.2677 17758.2981 0.0000 0.0000 34362.4507 -149054.3570 300.0958 -183416.8077 -148960.4074 300.0056 106.9730 140.6445 557174.3288 -10.0770 -10.0259 PRESSURE: 2044600 -200.297 238.628 -126.254 238.628 355.108 45.5255 -126.253 45.5255 192.484 GPRESSURE: 2044600 -116.626 235.32 -148.29 252.784 370.386 70.0072 -19.4437 22.7207 195.829 PRESSAVG: 2044600 -20.1258 40.7196 -29.2444 40.7196 -2.49461 42.8533 -29.2445 42.8532 48.5801 GPRESSAVG: 2044600 -20.122 41.4105 -29.3117 41.5082 -2.97786 42.4366 -28.7113 41.997 49.7531 TIMING: 2044600 CPU: 5932.52, 0.00291405/step Wall: 5932.52, 0.00291405/step, 2.39227 hours remaining, 205.937500 MB of memory in use. ENERGY: 2044600 775.0890 2131.9713 1986.5751 111.6212 -206610.6001 18226.4709 0.0000 0.0000 34362.2586 -149016.6140 300.0942 -183378.8726 -148925.9179 300.1289 115.7650 149.8628 557681.9851 8.6532 8.8844 PRESSURE: 2044800 -223.771 -83.6223 -24.9823 -83.6226 277.145 -88.191 -24.9838 -88.1912 -173.617 GPRESSURE: 2044800 -198.541 -86.2051 -13.3869 -31.0274 274.785 -4.1556 -1.58047 -88.5312 -92.9576 PRESSAVG: 2044800 -5.5505 -15.3247 72.5941 -15.3247 -12.5022 7.82134 72.5941 7.82133 -5.67892 GPRESSAVG: 2044800 -5.71674 -11.9834 71.8847 -16.6288 -11.7941 9.31886 73.7296 7.45389 -5.77971 TIMING: 2044800 CPU: 5933.1, 0.00288848/step Wall: 5933.1, 0.00288848/step, 2.37112 hours remaining, 205.937500 MB of memory in use. ENERGY: 2044800 745.8293 2140.3170 1968.6491 109.2454 -206283.6213 17928.2747 0.0000 0.0000 34404.0993 -148987.2066 300.4596 -183391.3059 -148885.0925 299.9077 -40.0808 -5.5713 559517.5950 -7.9106 -7.7635 PRESSURE: 2045000 337.027 117.211 50.6196 117.21 -28.5417 -80.7506 50.619 -80.7493 -105.214 GPRESSURE: 2045000 366.218 79.7672 82.9538 163.226 -31.7831 -186.662 62.1029 -13.2692 -35.9125 PRESSAVG: 2045000 53.2282 25.4889 -2.74713 25.4889 17.0737 -61.554 -2.74712 -61.5539 -42.3768 GPRESSAVG: 2045000 53.8692 21.4525 -1.95663 25.9628 16.9843 -60.6809 -3.6543 -59.8593 -42.7602 TIMING: 2045000 CPU: 5933.67, 0.00288052/step Wall: 5933.67, 0.00288052/step, 2.36442 hours remaining, 205.937500 MB of memory in use. ENERGY: 2045000 773.2522 2111.3736 1986.7209 106.5170 -206071.6252 17868.5036 0.0000 0.0000 34320.4696 -148904.7883 299.7292 -183225.2579 -148817.9011 299.7880 67.7572 99.5073 556569.1373 9.3084 9.3644 PRESSURE: 2045200 -245.499 54.8706 -64.9391 54.8709 -163.684 -199.183 -64.938 -199.182 -25.4023 GPRESSURE: 2045200 -149.13 57.1079 -3.92424 67.0753 -133.863 -255.748 -30.7095 -104.141 -63.1699 PRESSAVG: 2045200 21.2686 16.9332 -41.9328 16.9332 8.5253 -38.0813 -41.9327 -38.0812 34.8936 GPRESSAVG: 2045200 20.8209 17.9506 -40.8628 16.2689 8.93133 -37.7732 -41.2188 -38.0445 35.2283 TIMING: 2045200 CPU: 5934.25, 0.00287765/step Wall: 5934.25, 0.00287765/step, 2.36191 hours remaining, 205.937500 MB of memory in use. ENERGY: 2045200 807.9841 2088.9451 1987.6576 132.2905 -205656.1150 17483.3380 0.0000 0.0000 34175.8562 -148980.0434 298.4663 -183155.8996 -148879.2575 299.6467 -144.8615 -115.3877 558687.9659 21.5625 21.6602 PRESSURE: 2045400 -131.88 51.161 60.0401 51.1612 -252.489 42.7517 60.0398 42.7507 -317.582 GPRESSURE: 2045400 -123.956 -16.6734 6.44342 20.3896 -202.179 84.7861 104.979 28.152 -281.548 PRESSAVG: 2045400 20.0173 -24.1025 -54.3629 -24.1025 -5.95035 4.12098 -54.363 4.12107 -33.0151 GPRESSAVG: 2045400 20.1715 -23.7081 -55.9945 -24.141 -7.49699 1.06893 -55.427 5.10319 -31.3423 TIMING: 2045400 CPU: 5934.83, 0.00288794/step Wall: 5934.83, 0.00288794/step, 2.37019 hours remaining, 205.937500 MB of memory in use. ENERGY: 2045400 764.1688 2055.3659 1973.3032 117.5325 -205705.1781 17379.0910 0.0000 0.0000 34330.2948 -149085.4220 299.8150 -183415.7168 -148985.8729 299.6502 -233.9835 -202.5611 557719.3704 -6.3161 -6.2226 PRESSURE: 2045600 -153.793 61.1782 -65.1877 61.1787 -102.184 30.0818 -65.1889 30.081 -83.9402 GPRESSURE: 2045600 -141.636 17.8585 -103.832 99.1581 -61.9472 73.0203 -36.7869 75.9222 -41.2102 PRESSAVG: 2045600 2.76368 -30.3725 -8.32152 -30.3724 38.4434 6.18348 -8.32147 6.18345 -14.5248 GPRESSAVG: 2045600 2.68288 -30.2906 -7.66025 -29.617 39.763 7.71382 -7.25576 6.02934 -16.2441 TIMING: 2045600 CPU: 5935.4, 0.00288908/step Wall: 5935.4, 0.00288908/step, 2.37097 hours remaining, 205.937500 MB of memory in use. ENERGY: 2045600 748.6926 2050.7637 2006.6410 118.0509 -206002.2377 17504.4562 0.0000 0.0000 34237.8516 -149335.7817 299.0077 -183573.6333 -149236.7125 299.3685 -113.3057 -81.5976 556255.3590 8.8941 8.7339 PRESSURE: 2045800 81.8298 7.61237 -235.648 7.61209 -34.6984 -65.5403 -235.648 -65.5382 -30.9427 GPRESSURE: 2045800 130.094 -113.441 -260.263 24.6956 24.5173 -56.644 -185.662 -22.3169 -26.8178 PRESSAVG: 2045800 0.55864 8.20906 -17.5198 8.2091 -53.9398 -26.5655 -17.5198 -26.5655 17.52 GPRESSAVG: 2045800 1.12104 7.26678 -16.1471 9.36854 -54.7893 -25.9376 -20.2974 -26.3998 17.8623 TIMING: 2045800 CPU: 5935.98, 0.00287666/step Wall: 5935.98, 0.00287666/step, 2.36062 hours remaining, 205.937500 MB of memory in use. ENERGY: 2045800 741.7941 2047.0664 1967.9280 108.4947 -206409.8996 17894.7774 0.0000 0.0000 34246.7972 -149403.0418 299.0858 -183649.8390 -149314.1201 298.4079 5.3962 42.5979 557070.2999 -11.9537 -11.9353 PRESSURE: 2046000 -80.7184 28.0279 128.419 28.0285 -56.791 60.3525 128.419 60.3524 147.283 GPRESSURE: 2046000 -3.11342 145.255 164.224 31.6423 -27.3711 92.6353 109.945 22.6047 141.061 PRESSAVG: 2046000 11.8025 16.2083 -14.256 16.2083 -5.90363 13.3335 -14.256 13.3334 1.95944 GPRESSAVG: 2046000 11.2844 18.1689 -14.3243 15.1478 -4.74158 10.5949 -13.3073 13.709 1.78512 TIMING: 2046000 CPU: 5936.55, 0.00285365/step Wall: 5936.55, 0.00285365/step, 2.34158 hours remaining, 205.937500 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: 2046000 741.6365 2090.3332 1970.0041 116.3772 -206754.2777 18003.9454 0.0000 0.0000 34354.1083 -149477.8729 300.0230 -183831.9812 -149377.6289 299.3540 3.2579 36.8589 558420.7466 2.6194 2.7760 PRESSURE: 2046200 -128.677 78.1407 202.771 78.1421 -26.3413 -100.928 202.771 -100.928 126.022 GPRESSURE: 2046200 -63.5169 40.1709 180.284 113.864 -5.06045 -92.3241 200.114 -115.258 133.732 PRESSAVG: 2046200 -11.7066 13.0143 72.6554 13.0144 -9.97821 39.4752 72.6554 39.4752 43.9657 GPRESSAVG: 2046200 -11.2265 12.6715 72.1512 12.8172 -9.87441 41.3914 73.1203 38.6852 43.4474 TIMING: 2046200 CPU: 5937.13, 0.00288043/step Wall: 5937.13, 0.00288044/step, 2.3634 hours remaining, 205.937500 MB of memory in use. ENERGY: 2046200 735.8571 2069.4296 1956.4580 102.8434 -206293.3463 17802.3149 0.0000 0.0000 34176.6370 -149449.8062 298.4731 -183626.4432 -149349.0049 299.0804 -9.6655 21.7183 557653.5326 7.4270 7.4488 PRESSURE: 2046400 247.249 -49.342 7.28623 -49.3415 172.437 -69.89 7.28744 -69.8899 110.134 GPRESSURE: 2046400 309.296 -74.296 105.675 -21.5249 152.966 -26.869 -65.431 3.02003 161.222 PRESSAVG: 2046400 22.65 47.0264 76.5916 47.0264 -22.3585 -45.4267 76.5917 -45.4269 25.6391 GPRESSAVG: 2046400 22.2839 46.9039 77.8803 46.7791 -22.0769 -44.6085 75.6676 -46.3485 25.5069 TIMING: 2046400 CPU: 5937.7, 0.00288497/step Wall: 5937.7, 0.00288497/step, 2.36696 hours remaining, 205.937500 MB of memory in use. ENERGY: 2046400 729.3481 2130.3286 1930.8321 113.9467 -206504.2300 18013.7482 0.0000 0.0000 34213.0883 -149372.9380 298.7914 -183586.0264 -149271.8747 298.6012 176.6066 207.8278 557258.1525 8.6435 8.5713 PRESSURE: 2046600 192.325 105.457 14.6691 105.457 156.958 -47.88 14.6691 -47.8799 90.3733 GPRESSURE: 2046600 217.182 133.958 2.69738 72.0362 189.237 -43.3657 0.980321 43.5164 132.257 PRESSAVG: 2046600 -55.2407 -5.98396 0.198203 -5.98405 11.5297 -34.6502 0.198209 -34.6503 19.2313 GPRESSAVG: 2046600 -55.8616 -7.28855 -1.70492 -6.21169 11.2693 -35.6132 0.561061 -34.5173 20.0837 TIMING: 2046600 CPU: 5938.28, 0.0028869/step Wall: 5938.28, 0.0028869/step, 2.36838 hours remaining, 205.937500 MB of memory in use. ENERGY: 2046600 708.1104 2058.5472 1962.3884 119.7253 -206686.4144 18055.1445 0.0000 0.0000 34161.7503 -149620.7484 298.3431 -183782.4987 -149523.6300 298.0068 146.5522 179.5588 556443.2787 -8.1599 -8.1696 PRESSURE: 2046800 -130.727 80.8114 106.055 80.8102 73.8553 7.64521 106.055 7.6457 -73.0169 GPRESSURE: 2046800 -94.8423 144.96 249.859 55.0831 100.58 34.8486 82.0884 -61.6455 -31.3859 PRESSAVG: 2046800 -37.5167 26.1219 21.237 26.1219 -6.18985 -18.0141 21.2369 -18.014 -8.80805 GPRESSAVG: 2046800 -35.2714 26.1555 22.7364 26.3703 -7.17458 -18.4443 21.3829 -18.7345 -9.67683 TIMING: 2046800 CPU: 5938.86, 0.00290579/step Wall: 5938.86, 0.00290579/step, 2.38372 hours remaining, 205.937500 MB of memory in use. ENERGY: 2046800 743.7098 2096.9135 1984.0571 115.1166 -206373.8083 17897.6133 0.0000 0.0000 34045.5366 -149490.8616 297.3281 -183536.3981 -149396.8775 297.6947 -43.2962 -8.5494 558257.6934 -17.5049 -17.3743 PRESSURE: 2047000 66.2074 166.477 -22.3738 166.476 102.63 -45.7525 -22.3744 -45.7529 -35.2941 GPRESSURE: 2047000 114.784 225.213 29.7431 136.134 128.567 -27.8268 -0.346093 -0.000800497 -17.71 PRESSAVG: 2047000 -64.6634 40.241 32.5364 40.241 14.9952 -34.1593 32.5364 -34.1594 14.0196 GPRESSAVG: 2047000 -65.1302 41.5242 34.7274 39.9793 15.1774 -33.1797 31.9186 -33.5431 14.4214 TIMING: 2047000 CPU: 5939.44, 0.00287991/step Wall: 5939.44, 0.00287991/step, 2.36233 hours remaining, 205.937500 MB of memory in use. ENERGY: 2047000 759.2765 2113.4717 1960.1372 110.6038 -206425.5472 17962.0530 0.0000 0.0000 34162.6010 -149357.4039 298.3505 -183520.0049 -149264.9031 298.2167 44.5146 75.2136 557700.0467 -11.8829 -11.8438 PRESSURE: 2047200 345.427 -52.4294 17.181 -52.4295 -114.203 -167.384 17.1806 -167.384 14.2483 GPRESSURE: 2047200 365.384 -47.3477 20.6597 0.012333 -46.8406 -191.258 33.912 -171.652 19.9284 PRESSAVG: 2047200 26.9845 23.8432 -64.1964 23.8431 4.55009 -0.704211 -64.1963 -0.704228 -3.47169 GPRESSAVG: 2047200 25.6465 23.6699 -68.7217 25.3836 4.98985 -0.969296 -62.8493 -1.0048 -2.35551 TIMING: 2047200 CPU: 5940.01, 0.00286582/step Wall: 5940.01, 0.00286582/step, 2.35061 hours remaining, 205.937500 MB of memory in use. ENERGY: 2047200 714.5508 2088.5733 1953.4687 113.1860 -206256.5466 17914.7255 0.0000 0.0000 34193.5957 -149278.4465 298.6212 -183472.0423 -149175.0421 298.9301 81.8239 112.8241 557857.6814 9.3543 9.4270 PRESSURE: 2047400 -112.429 2.24949 76.7797 2.24761 -402.482 55.2098 76.7796 55.2118 -232.758 GPRESSURE: 2047400 -105.727 -71.2762 56.4054 53.8909 -345.299 37.2102 62.6582 24.9598 -193.798 PRESSAVG: 2047400 28.5405 30.8795 17.3511 30.8796 -23.3848 21.868 17.3511 21.8681 -18.8175 GPRESSAVG: 2047400 29.6787 30.7241 18.8197 30.2961 -23.4142 19.888 16.8102 23.0609 -19.9886 TIMING: 2047400 CPU: 5940.59, 0.00290407/step Wall: 5940.59, 0.00290407/step, 2.38182 hours remaining, 205.937500 MB of memory in use. ENERGY: 2047400 751.8715 2092.9977 1968.8499 104.6379 -205868.3942 17330.1064 0.0000 0.0000 34283.1742 -149336.7567 299.4035 -183619.9309 -149241.5848 298.5535 -249.2231 -214.9411 557149.5878 -4.5539 -4.5747 PRESSURE: 2047600 229.48 71.2624 60.741 71.2625 68.1014 27.6857 60.7413 27.6832 -0.0243095 GPRESSURE: 2047600 202.017 74.533 23.8138 79.4 117.922 -31.5396 108.72 13.8055 73.9689 PRESSAVG: 2047600 60.6911 -13.1279 14.8573 -13.1278 -37.559 2.25253 14.8573 2.25243 41.9823 GPRESSAVG: 2047600 60.0739 -14.0785 14.4074 -12.7421 -37.6025 4.48266 13.6182 1.26415 42.448 TIMING: 2047600 CPU: 5941.17, 0.00288923/step Wall: 5941.17, 0.00288923/step, 2.36949 hours remaining, 205.937500 MB of memory in use. ENERGY: 2047600 746.8171 2082.4093 1988.1718 112.2674 -206427.7284 17914.7627 0.0000 0.0000 34351.9500 -149231.3500 300.0041 -183583.3001 -149134.0008 298.8873 99.1856 131.3027 557199.3905 21.7048 21.6398 PRESSURE: 2047800 112.91 -49.1077 -14.4722 -49.1093 -61.0588 -52.9672 -14.4721 -52.9683 240.385 GPRESSURE: 2047800 157.789 -103.135 -82.0061 55.9731 -64.351 27.1201 74.5711 -100.017 295.402 PRESSAVG: 2047800 54.0298 11.6161 26.422 11.6161 -36.2983 -5.81454 26.4219 -5.8145 19.5074 GPRESSAVG: 2047800 53.3417 12.6471 27.9003 11.3665 -36.3162 -5.29389 26.8456 -5.84096 20.1817 TIMING: 2047800 CPU: 5941.75, 0.00288955/step Wall: 5941.75, 0.00288955/step, 2.36959 hours remaining, 205.937500 MB of memory in use. ENERGY: 2047800 759.1456 2136.1956 1975.2529 115.0961 -206238.8000 17919.7214 0.0000 0.0000 34218.2693 -149115.1192 298.8367 -183333.3885 -149017.2945 299.0417 97.4119 129.6134 558939.6926 12.4130 12.4024 PRESSURE: 2048000 -346.034 22.7208 34.9341 22.7205 -195.68 44.7749 34.9333 44.7736 -157.887 GPRESSURE: 2048000 -343.934 -46.1815 -18.2764 -48.9199 -171.104 41.3511 32.2843 64.7005 -94.563 PRESSAVG: 2048000 69.7788 32.6395 25.156 32.6396 -23.8197 11.9769 25.1561 11.977 -16.1969 GPRESSAVG: 2048000 70.7963 32.0649 22.6774 31.518 -23.7945 11.5912 26.9911 11.9281 -17.4389 TIMING: 2048000 CPU: 5942.32, 0.00288128/step Wall: 5942.32, 0.00288128/step, 2.36265 hours remaining, 205.937500 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: 2048000 769.8343 2069.2164 1982.0072 118.0426 -205603.6818 17591.0815 0.0000 0.0000 34179.8950 -148893.6048 298.5015 -183073.4998 -148793.3157 299.9114 -233.2005 -203.2003 559264.2778 9.9207 9.8543 PRESSURE: 2048200 -198.547 -120.054 110.081 -120.053 -237.332 142.914 110.081 142.914 -335.675 GPRESSURE: 2048200 -146.96 -168.674 168.387 -131.91 -197.05 122.041 86.2236 97.8725 -331.006 PRESSAVG: 2048200 6.03051 -6.28864 20.9041 -6.28869 -13.2267 24.8755 20.9042 24.8756 -28.1304 GPRESSAVG: 2048200 5.9087 -6.94724 20.8421 -6.52921 -13.1464 26.0174 18.7625 23.5693 -27.985 TIMING: 2048200 CPU: 5942.9, 0.00290187/step Wall: 5942.9, 0.00290187/step, 2.37937 hours remaining, 205.937500 MB of memory in use. ENERGY: 2048200 780.5333 2169.5940 1943.3270 116.9972 -205873.5399 17554.4047 0.0000 0.0000 34537.3118 -148771.3720 301.6229 -183308.6838 -148675.3744 300.1870 -257.1846 -225.0053 559471.5638 -11.7755 -11.7409 LDB: ============= START OF LOAD BALANCING ============== 5946.37 LDB: ============== END OF LOAD BALANCING =============== 5946.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5946.37 LDB: ============= START OF LOAD BALANCING ============== 5946.66 LDB: Largest compute 4820 load 0.029751 is 25.3% of average load 0.117755 LDB: Average compute 0.001723 is 1.5% of average load 0.117755 LDB: TIME 5946.66 LOAD: AVG 0.117755 MAX 0.177118 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.492 MB LDB: TIME 5946.66 LOAD: AVG 0.117755 MAX 0.177118 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: TIME 5946.66 LOAD: AVG 0.117755 MAX 0.177118 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: ============== END OF LOAD BALANCING =============== 5946.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5946.67 PRESSURE: 2048400 -144.581 133.037 86.9974 133.036 -198.995 35.055 86.9966 35.0562 202.628 GPRESSURE: 2048400 -157.806 86.442 46.6192 35.1437 -164.883 67.345 58.5954 41.0321 266.462 PRESSAVG: 2048400 22.7454 -53.7008 47.5586 -53.7009 -33.5228 15.387 47.5587 15.3869 18.5165 GPRESSAVG: 2048400 22.3303 -52.6835 47.7642 -52.1253 -33.6396 14.3065 48.1513 15.4379 18.9639 TIMING: 2048400 CPU: 5943.49, 0.00294072/step Wall: 5943.49, 0.00294072/step, 2.41107 hours remaining, 207.261719 MB of memory in use. ENERGY: 2048400 779.5809 2156.4929 1965.5582 125.4523 -206028.2844 17731.1052 0.0000 0.0000 34532.8267 -148737.2682 301.5838 -183270.0949 -148645.1117 300.5842 -46.9827 -18.7423 558276.3559 2.5797 2.5515 PRESSURE: 2048600 -63.878 202.23 167.735 202.232 67.4879 42.7676 167.736 42.7696 -237.84 GPRESSURE: 2048600 -32.0068 225.659 149.813 180.602 79.1847 -1.41434 98.6495 106.904 -183.757 PRESSAVG: 2048600 -27.1406 19.16 27.6513 19.16 -14.9821 6.68865 27.6513 6.6886 28.9138 GPRESSAVG: 2048600 -25.6268 18.4648 29.2346 20.822 -15.844 7.6994 27.2637 5.93337 28.0789 TIMING: 2048600 CPU: 5944.07, 0.00288641/step Wall: 5944.07, 0.00288641/step, 2.36637 hours remaining, 207.589844 MB of memory in use. ENERGY: 2048600 718.3317 2117.3959 1986.2328 126.8308 -205924.3333 17788.7976 0.0000 0.0000 34457.6167 -148729.1278 300.9269 -183186.7444 -148625.4862 300.5002 -78.0768 -45.5264 559292.0764 -4.4030 -4.4640 PRESSURE: 2048800 26.1911 11.2172 99.799 11.2163 67.6189 -68.8383 99.7999 -68.8379 251.349 GPRESSURE: 2048800 36.4063 -59.9844 165.173 58.0009 181.948 -100.621 126.657 -35.1 232.484 PRESSAVG: 2048800 -7.32388 34.3242 -40.171 34.3241 -20.9213 -40.1075 -40.171 -40.1074 13.2965 GPRESSAVG: 2048800 -7.75615 34.993 -40.62 32.8006 -20.1453 -41.2636 -41.2063 -38.6123 13.5537 TIMING: 2048800 CPU: 5944.65, 0.00290627/step Wall: 5944.65, 0.00290627/step, 2.3825 hours remaining, 207.589844 MB of memory in use. ENERGY: 2048800 726.8475 2028.6219 1953.1854 115.4245 -206264.5029 18051.7907 0.0000 0.0000 34686.6361 -148701.9968 302.9270 -183388.6329 -148600.8003 300.3090 115.0530 150.2794 557794.9060 -4.9829 -4.7826 PRESSURE: 2049000 15.5658 -100.487 157.368 -100.484 -99.7759 147.677 157.368 147.677 28.4641 GPRESSURE: 2049000 19.2874 -185.371 149.047 27.296 -47.0834 131.238 149.513 172.786 64.1796 PRESSAVG: 2049000 -22.3951 -47.6529 4.61102 -47.653 20.3137 26.674 4.61109 26.674 55.2215 GPRESSAVG: 2049000 -23.0609 -47.3134 5.3897 -47.0741 21.0312 25.2499 6.56276 25.666 55.1216 TIMING: 2049000 CPU: 5945.23, 0.00290011/step Wall: 5945.23, 0.00290011/step, 2.37728 hours remaining, 207.589844 MB of memory in use. ENERGY: 2049000 763.1295 2124.3589 1966.2997 119.4145 -205669.2604 17545.2679 0.0000 0.0000 34379.5681 -148771.2218 300.2453 -183150.7899 -148668.7584 300.5896 -18.5820 12.1279 556273.6737 17.7134 17.6973 PRESSURE: 2049200 20.7089 20.7639 -35.1935 20.7633 -126.157 80.8176 -35.1933 80.816 -89.5398 GPRESSURE: 2049200 68.3758 17.6549 -86.6526 25.371 -121.151 110.257 -31.8421 70.5658 -50.3157 PRESSAVG: 2049200 -4.06218 25.4432 -31.0627 25.4432 -31.2933 12.8589 -31.0628 12.859 70.2016 GPRESSAVG: 2049200 -3.25022 24.5282 -32.1973 23.8106 -32.1944 13.9375 -31.0441 11.7527 70.0612 TIMING: 2049200 CPU: 5945.81, 0.00290563/step Wall: 5945.81, 0.00290563/step, 2.38165 hours remaining, 207.589844 MB of memory in use. ENERGY: 2049200 738.0061 2079.6366 1984.0106 112.9284 -205645.2248 17551.0737 0.0000 0.0000 34454.5444 -148725.0250 300.9001 -183179.5695 -148629.7694 300.6530 -64.9959 -34.3635 557854.2486 11.6154 11.5388 PRESSURE: 2049400 73.1971 210.91 -5.36177 210.911 96.8187 -271.367 -5.36277 -271.368 115.378 GPRESSURE: 2049400 137.312 196.428 91.5172 203.534 95.8319 -289.679 -94.8478 -228.105 140.053 PRESSAVG: 2049400 -30.6999 51.88 -37.9723 51.88 -5.87591 -37.1652 -37.9723 -37.1652 23.1587 GPRESSAVG: 2049400 -30.7996 52.4575 -34.755 52.731 -4.62734 -37.7294 -40.0003 -34.3978 22.3684 TIMING: 2049400 CPU: 5946.39, 0.00290732/step Wall: 5946.39, 0.00290732/step, 2.38287 hours remaining, 207.718750 MB of memory in use. ENERGY: 2049400 738.6009 2070.8363 1971.4135 111.5175 -205883.6598 17839.9561 0.0000 0.0000 34299.7874 -148851.5481 299.5486 -183151.3354 -148754.0683 300.4863 95.1314 124.3989 558149.1240 -4.4724 -4.3529 PRESSURE: 2049600 -342.379 48.0439 150.234 48.0418 192.643 -175.189 150.235 -175.189 -25.5657 GPRESSURE: 2049600 -313.153 24.4605 182.195 33.3125 196.567 -113.702 117.885 -211.834 13.7358 PRESSAVG: 2049600 -31.8486 39.834 5.66111 39.834 92.0623 -24.9514 5.66121 -24.9515 -68.6779 GPRESSAVG: 2049600 -32.2738 40.5856 4.66358 40.0215 90.934 -24.9795 8.65431 -25.6951 -66.6574 TIMING: 2049600 CPU: 5946.97, 0.00290671/step Wall: 5946.97, 0.00290671/step, 2.38221 hours remaining, 207.718750 MB of memory in use. ENERGY: 2049600 752.6389 2053.6141 1974.9150 130.3745 -205778.4462 17785.4607 0.0000 0.0000 34105.2657 -148976.1773 297.8498 -183081.4431 -148884.3926 300.2096 -58.4339 -34.2835 558325.3139 -2.8214 -2.6657 PRESSURE: 2049800 -116.844 -72.0329 -95.6194 -72.0348 206.306 -177.053 -95.6212 -177.053 -216.518 GPRESSURE: 2049800 -105.706 -13.0646 -86.2967 -132.919 279.898 -174.206 -94.8354 -229.704 -202.632 PRESSAVG: 2049800 -84.9736 -13.4425 -14.4512 -13.4425 51.3714 -9.06246 -14.4512 -9.06247 47.5048 GPRESSAVG: 2049800 -86.1516 -15.8624 -16.4997 -14.7893 52.4917 -8.60968 -15.6924 -9.82494 47.597 TIMING: 2049800 CPU: 5947.55, 0.00287222/step Wall: 5947.55, 0.00287222/step, 2.35378 hours remaining, 207.718750 MB of memory in use. ENERGY: 2049800 747.4677 2074.3567 1964.9770 122.0456 -205788.2884 17839.3124 0.0000 0.0000 34203.6450 -148836.4841 298.7089 -183040.1291 -148745.0390 300.3141 -42.3518 -9.4798 559884.9679 4.6342 4.6457 PRESSURE: 2050000 69.7572 61.0062 73.161 61.0068 -36.2332 -16.2765 73.1621 -16.277 -48.6763 GPRESSURE: 2050000 72.2651 8.01889 185.982 110.566 -1.09922 -23.7479 1.41248 -58.64 8.37341 PRESSAVG: 2050000 -26.442 17.0548 -14.61 17.0548 27.6852 -79.127 -14.6101 -79.1271 -2.11387 GPRESSAVG: 2050000 -26.0141 17.1629 -13.1314 19.3893 27.7801 -79.1278 -12.8956 -80.1071 -2.52945 TIMING: 2050000 CPU: 5948.13, 0.00289454/step Wall: 5948.13, 0.00289454/step, 2.37191 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2050000 723.4630 2151.1701 1929.3043 106.4104 -205962.9645 17831.0717 0.0000 0.0000 34383.6295 -148837.9154 300.2808 -183221.5449 -148742.2571 300.0607 -5.0508 26.5131 560183.8099 -0.2902 -0.2545 PRESSURE: 2050200 -137.882 -55.3707 72.4778 -55.3705 -63.3209 110.182 72.4779 110.182 -212.184 GPRESSURE: 2050200 -146.104 32.5902 -23.1271 -73.1205 -30.7386 67.4905 118.123 161.596 -133.453 PRESSAVG: 2050200 4.50958 37.0245 6.56068 37.0245 12.6097 -1.31039 6.56073 -1.31039 -9.93963 GPRESSAVG: 2050200 4.19619 37.8588 6.05899 35.2101 12.901 -0.492147 5.16936 -0.163401 -10.1361 TIMING: 2050200 CPU: 5948.7, 0.00287805/step Wall: 5948.7, 0.00287804/step, 2.35824 hours remaining, 207.785156 MB of memory in use. ENERGY: 2050200 750.4625 2084.4790 1973.2735 113.2255 -206022.4670 17758.3172 0.0000 0.0000 34419.9530 -148922.7563 300.5980 -183342.7094 -148824.4051 300.3328 -137.7956 -103.4318 560216.2795 2.3932 2.3204 PRESSURE: 2050400 -25.0199 50.2596 -52.4373 50.2616 -26.5755 -132.749 -52.4373 -132.749 4.38768 GPRESSURE: 2050400 48.6576 22.1036 -89.8994 69.83 24.7988 -117.343 -37.2879 -156.59 -32.9252 PRESSAVG: 2050400 -2.40959 37.6166 -22.6644 37.6165 21.6426 22.344 -22.6644 22.344 12.0979 GPRESSAVG: 2050400 -2.51835 38.5078 -23.2574 38.5861 21.6049 22.0661 -22.9098 21.3413 12.5181 TIMING: 2050400 CPU: 5949.28, 0.00287119/step Wall: 5949.28, 0.00287118/step, 2.35246 hours remaining, 207.785156 MB of memory in use. ENERGY: 2050400 738.2185 2089.7200 1953.1530 106.2528 -205865.8616 17916.5663 0.0000 0.0000 34231.4316 -148830.5195 298.9516 -183061.9511 -148741.7418 299.8229 -15.7359 13.5104 560481.7234 10.4436 10.5349 PRESSURE: 2050600 -168.508 -117.434 57.8423 -117.434 -209.824 -11.7188 57.8428 -11.7199 -229.015 GPRESSURE: 2050600 -105.482 -49.3365 146.429 -142.132 -169.667 -38.8503 31.7934 -27.5425 -236.598 PRESSAVG: 2050600 0.640946 -40.7891 55.9 -40.7892 -15.9507 -14.269 55.9001 -14.2691 -40.3068 GPRESSAVG: 2050600 1.90896 -40.9189 57.9282 -41.8444 -17.1395 -17.7976 56.1683 -12.7228 -40.4969 TIMING: 2050600 CPU: 5949.85, 0.00288474/step Wall: 5949.85, 0.00288474/step, 2.36341 hours remaining, 207.785156 MB of memory in use. ENERGY: 2050600 728.2265 2109.9993 1953.0284 101.3474 -205651.7660 17547.4268 0.0000 0.0000 34337.5719 -148874.1656 299.8786 -183211.7375 -148780.5789 299.7860 -202.4487 -170.5827 560059.7027 -18.5389 -18.5758 PRESSURE: 2050800 195.75 -175.579 -44.0516 -175.579 52.7821 6.34742 -44.0506 6.34611 70.0582 GPRESSURE: 2050800 187.345 -114.875 9.84073 -191.358 88.1255 69.0397 -135.807 -40.094 133.65 PRESSAVG: 2050800 -2.70005 -13.5309 46.1367 -13.5309 66.6596 21.6364 46.1366 21.6363 -32.6654 GPRESSAVG: 2050800 -2.44138 -12.4392 45.0038 -14.1925 66.8919 23.6726 46.5988 21.8595 -33.1437 TIMING: 2050800 CPU: 5950.43, 0.00289758/step Wall: 5950.43, 0.00289758/step, 2.37376 hours remaining, 207.785156 MB of memory in use. ENERGY: 2050800 765.5151 2082.8944 1969.7628 112.2363 -206208.5390 18101.3342 0.0000 0.0000 34275.8275 -148900.9688 299.3393 -183176.7963 -148802.1901 300.0244 106.1968 136.3733 558615.3957 10.4314 10.4356 PRESSURE: 2051000 -44.5063 19.5163 13.5296 19.5157 -368.829 93.3902 13.5305 93.3902 -315.022 GPRESSURE: 2051000 -54.5651 -49.8819 45.3029 -101.822 -338.204 164.762 -7.68474 23.6659 -243.813 PRESSAVG: 2051000 14.5993 -20.3351 42.038 -20.3352 28.7904 15.8604 42.0381 15.8604 -52.3319 GPRESSAVG: 2051000 12.9833 -23.048 40.3856 -17.5978 29.2666 16.819 41.7586 15.4077 -51.3135 TIMING: 2051000 CPU: 5951.01, 0.00287292/step Wall: 5951.01, 0.00287292/step, 2.3534 hours remaining, 207.785156 MB of memory in use. ENERGY: 2051000 789.2526 2106.6401 1955.1394 131.5995 -205886.2628 17642.2684 0.0000 0.0000 34399.9286 -148861.4341 300.4231 -183261.3628 -148764.6732 300.5966 -242.7859 -212.1940 560378.2488 -2.9808 -3.0212 PRESSURE: 2051200 -91.0589 -42.8545 84.5733 -42.8544 -50.491 128.864 84.574 128.864 -132.847 GPRESSURE: 2051200 -23.1425 -63.1259 30.3009 -60.1149 -82.7623 132.945 214.133 101.072 -74.4156 PRESSAVG: 2051200 26.4779 -93.9024 39.2349 -93.9024 -46.3568 63.6024 39.235 63.6024 22.7026 GPRESSAVG: 2051200 27.024 -90.5503 39.6907 -95.6876 -47.0381 63.1996 39.6263 63.1228 23.4254 TIMING: 2051200 CPU: 5951.58, 0.00287556/step Wall: 5951.58, 0.00287556/step, 2.3554 hours remaining, 207.785156 MB of memory in use. ENERGY: 2051200 725.1375 2089.4111 1969.1619 108.7357 -205673.4113 17577.1184 0.0000 0.0000 34276.3545 -148927.4922 299.3439 -183203.8466 -148829.9362 300.8090 -91.4657 -60.1068 558922.3052 0.9412 1.1371 PRESSURE: 2051400 11.446 -138.542 31.5704 -138.542 -124.337 -75.5673 31.5705 -75.5681 -114.796 GPRESSURE: 2051400 49.0266 -124.18 64.0052 -134.343 -92.8059 -99.4664 24.0974 -118.928 -101.667 PRESSAVG: 2051400 9.8482 -22.4336 -40.9764 -22.4336 -4.8404 20.4079 -40.9764 20.4079 20.0784 GPRESSAVG: 2051400 9.95487 -24.904 -38.3913 -21.3359 -4.04016 19.8793 -42.0802 19.5945 19.3425 TIMING: 2051400 CPU: 5952.16, 0.00287115/step Wall: 5952.16, 0.00287115/step, 2.35163 hours remaining, 207.785156 MB of memory in use. ENERGY: 2051400 779.5872 2135.5618 1933.2209 106.5515 -205972.3570 17792.6532 0.0000 0.0000 34283.9553 -148940.8272 299.4103 -183224.7825 -148851.5123 300.1371 -75.8957 -48.4820 558890.8236 8.3621 8.4191 PRESSURE: 2051600 -14.7806 -127.171 73.5893 -127.171 395.671 207.613 73.5897 207.613 -31.6098 GPRESSURE: 2051600 14.475 -159.039 100.335 -83.1827 434.81 198.655 61.499 225.472 4.61075 PRESSAVG: 2051600 38.4411 -82.6219 -46.7868 -82.6219 -11.9204 -1.13501 -46.7868 -1.13508 -8.10961 GPRESSAVG: 2051600 38.5533 -82.0051 -47.15 -82.6054 -12.164 -2.82149 -48.2978 0.694383 -7.67661 TIMING: 2051600 CPU: 5952.74, 0.00292177/step Wall: 5952.74, 0.00292177/step, 2.39293 hours remaining, 207.785156 MB of memory in use. ENERGY: 2051600 746.6459 2048.1973 1941.8010 125.6021 -206361.3184 17952.6805 0.0000 0.0000 34352.4488 -149193.9428 300.0085 -183546.3916 -149097.2821 299.4785 116.4269 151.2985 557837.9656 6.1370 6.2376 PRESSURE: 2051800 48.6267 -39.2549 7.40775 -39.2553 -198.497 -5.91033 7.40777 -5.90892 30.4308 GPRESSURE: 2051800 111.77 -23.1081 44.6873 1.50457 -207.088 59.0571 6.36437 73.6199 74.2284 PRESSAVG: 2051800 -41.6679 -38.0587 24.3671 -38.0586 3.25687 16.9116 24.3671 16.9115 33.5322 GPRESSAVG: 2051800 -41.7213 -38.0341 24.5361 -39.7558 2.6474 19.8872 23.859 17.1816 33.7895 TIMING: 2051800 CPU: 5953.32, 0.00289879/step Wall: 5953.32, 0.00289879/step, 2.37395 hours remaining, 207.785156 MB of memory in use. ENERGY: 2051800 734.0750 2077.7272 1964.9823 128.0227 -206169.9224 17874.8770 0.0000 0.0000 34321.6411 -149068.5971 299.7394 -183390.2382 -148982.0400 299.3587 -39.8130 -7.0296 557731.0265 -1.6263 -1.7615 PRESSURE: 2052000 -75.2812 -174.862 -26.2609 -174.861 -90.7144 116.505 -26.2605 116.504 110.718 GPRESSURE: 2052000 -31.9132 -155.25 -99.3848 -211.786 -45.3076 63.8463 -7.51282 144.525 116.229 PRESSAVG: 2052000 24.083 -33.6186 -7.14231 -33.6187 -34.693 22.4222 -7.14247 22.4222 29.5792 GPRESSAVG: 2052000 22.7861 -33.6373 -8.92461 -30.8537 -34.3646 23.4218 -5.49936 21.8705 30.0904 TIMING: 2052000 CPU: 5953.9, 0.00289472/step Wall: 5953.9, 0.00289472/step, 2.37046 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2052000 779.7415 2118.9515 1943.9860 107.1371 -205839.6166 17560.3587 0.0000 0.0000 34394.4582 -148934.9836 300.3754 -183329.4418 -148839.8426 299.8016 -18.4260 13.0027 557152.8215 6.3231 6.1707 PRESSURE: 2052200 116.702 -47.7074 222.337 -47.7068 -29.7883 -35.0016 222.337 -35.0017 137.155 GPRESSURE: 2052200 196.99 -117.921 230.052 80.4374 20.1413 0.680407 265.895 -39.3537 101.015 PRESSAVG: 2052200 -51.8411 -0.801149 45.8414 -0.801165 13.4294 63.4205 45.8415 63.4205 31.6879 GPRESSAVG: 2052200 -51.1894 2.04552 44.7325 -2.14899 13.8749 63.3455 46.3622 61.6689 31.2054 TIMING: 2052200 CPU: 5954.48, 0.00290496/step Wall: 5954.48, 0.00290496/step, 2.37868 hours remaining, 207.785156 MB of memory in use. ENERGY: 2052200 762.8477 2138.5259 1936.2936 116.8997 -206000.8076 17791.6709 0.0000 0.0000 34310.3161 -148944.2537 299.6405 -183254.5698 -148847.9637 300.0170 74.6894 106.0485 555487.2651 -2.2412 -2.0363 LDB: ============= START OF LOAD BALANCING ============== 5957.95 LDB: ============== END OF LOAD BALANCING =============== 5957.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5957.95 LDB: ============= START OF LOAD BALANCING ============== 5958.24 LDB: Largest compute 4820 load 0.029544 is 25.1% of average load 0.117746 LDB: Average compute 0.001726 is 1.5% of average load 0.117746 LDB: TIME 5958.24 LOAD: AVG 0.117746 MAX 0.17787 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.898 MB LDB: TIME 5958.24 LOAD: AVG 0.117746 MAX 0.17787 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: TIME 5958.24 LOAD: AVG 0.117746 MAX 0.17787 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: ============== END OF LOAD BALANCING =============== 5958.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5958.25 PRESSURE: 2052400 -289.181 65.41 19.4333 65.4094 -138.397 -29.1179 19.4346 -29.1182 -342.257 GPRESSURE: 2052400 -215.149 30.7115 39.005 -10.2833 -118.742 -52.6936 22.034 -88.8388 -329.39 PRESSAVG: 2052400 44.1696 -29.0046 6.32945 -29.0045 43.075 8.53679 6.32954 8.53669 -8.86324 GPRESSAVG: 2052400 44.1817 -31.4683 6.47885 -28.8542 43.8284 6.41753 7.12698 11.39 -9.56172 TIMING: 2052400 CPU: 5955.07, 0.00294691/step Wall: 5955.07, 0.00294691/step, 2.41287 hours remaining, 207.511719 MB of memory in use. ENERGY: 2052400 751.1774 2078.1084 1908.5725 107.0088 -205381.4534 17285.2415 0.0000 0.0000 34217.5998 -149033.7451 298.8308 -183251.3449 -148929.1338 299.6438 -256.6118 -221.0936 557074.5668 26.1271 26.1494 PRESSURE: 2052600 -282.62 2.31565 114.438 2.31602 -161.807 -12.4141 114.439 -12.4147 -7.3582 GPRESSURE: 2052600 -206.081 71.7694 100.496 -47.3566 -144.946 2.8516 140.06 57.4966 -13.9147 PRESSAVG: 2052600 -17.1362 34.4261 50.2912 34.4261 95.9378 -64.42 50.2913 -64.42 -93.1612 GPRESSAVG: 2052600 -16.1908 35.8244 51.4103 35.4768 95.2389 -63.3321 48.4196 -64.3299 -93.5325 TIMING: 2052600 CPU: 5955.65, 0.00289394/step Wall: 5955.65, 0.00289394/step, 2.36934 hours remaining, 207.757812 MB of memory in use. ENERGY: 2052600 755.6139 2062.8910 1962.2052 109.3768 -205716.1858 17451.4405 0.0000 0.0000 34292.3976 -149082.2609 299.4840 -183374.6585 -148981.7645 300.2793 -150.5949 -121.6474 555368.7660 -4.7865 -4.8282 PRESSURE: 2052800 -171.313 -75.9322 -52.907 -75.9317 -146.858 -19.8887 -52.9065 -19.887 -301.709 GPRESSURE: 2052800 -128.598 -27.2804 -5.69799 -115.543 -105.041 51.3783 -48.5525 -109.611 -282.077 PRESSAVG: 2052800 -37.2047 60.8735 18.3276 60.8735 17.9561 23.936 18.3275 23.936 3.67965 GPRESSAVG: 2052800 -37.773 58.5587 18.7694 59.9156 18.3498 25.2247 19.2693 21.1667 3.62457 TIMING: 2052800 CPU: 5956.23, 0.00288867/step Wall: 5956.23, 0.00288867/step, 2.36486 hours remaining, 207.757812 MB of memory in use. ENERGY: 2052800 770.4549 2061.3733 1947.5377 110.7786 -205361.4711 17361.8255 0.0000 0.0000 34100.9114 -149008.5897 297.8117 -183109.5011 -148907.9204 300.1004 -206.6264 -171.9051 557347.7542 -5.1896 -5.2662 PRESSURE: 2053000 -329.595 -138.55 163.366 -138.548 -123.788 -93.2173 163.367 -93.2173 -103.095 GPRESSURE: 2053000 -277.686 -201.456 101.919 -82.4381 -123.23 -123.809 142.961 -63.1324 -47.3007 PRESSAVG: 2053000 70.3895 61.3434 -34.208 61.3434 -33.2703 -5.78918 -34.208 -5.78926 -62.4499 GPRESSAVG: 2053000 71.0546 62.2932 -33.4011 61.3518 -33.9235 -6.82786 -32.6253 -2.89517 -62.3614 TIMING: 2053000 CPU: 5956.8, 0.00288093/step Wall: 5956.8, 0.00288093/step, 2.35836 hours remaining, 207.757812 MB of memory in use. ENERGY: 2053000 745.8685 2063.0294 1973.6437 114.5947 -205665.6152 17585.2869 0.0000 0.0000 34279.4958 -148903.6961 299.3714 -183183.1919 -148807.6778 300.1765 -185.4927 -149.4056 558421.0170 -8.4436 -8.4101 PRESSURE: 2053200 -97.5598 -197.068 5.99835 -197.068 58.7185 67.0322 5.99717 67.0321 170.728 GPRESSURE: 2053200 -63.0736 -265.117 -19.1357 -183.559 74.8063 50.7612 -3.14713 124.873 223.549 PRESSAVG: 2053200 41.3116 -34.5251 -6.47866 -34.5252 -27.1286 -8.4913 -6.47873 -8.49135 1.22103 GPRESSAVG: 2053200 41.2067 -35.9565 -6.97792 -31.5048 -25.5162 -7.28723 -6.70588 -10.0915 -0.0230164 TIMING: 2053200 CPU: 5957.38, 0.00287549/step Wall: 5957.38, 0.00287549/step, 2.35375 hours remaining, 207.757812 MB of memory in use. ENERGY: 2053200 707.7359 2082.4546 1949.0129 118.8493 -206155.8064 17847.8055 0.0000 0.0000 34344.0258 -149105.9224 299.9349 -183449.9482 -149008.5771 299.4824 43.9622 78.4274 557612.6747 5.1347 5.2225 PRESSURE: 2053400 91.7001 -26.2264 -69.1155 -26.2262 -45.8915 71.6607 -69.1157 71.6615 -122.59 GPRESSURE: 2053400 116.175 -125.231 -134.036 51.9856 17.8638 22.6445 -2.5224 48.2652 -115.667 PRESSAVG: 2053400 63.3716 -38.5659 16.7204 -38.566 -18.2061 5.85137 16.7204 5.85144 -65.3769 GPRESSAVG: 2053400 63.2108 -39.1235 18.858 -39.7293 -18.1757 3.21541 14.8431 6.47748 -65.8182 TIMING: 2053400 CPU: 5957.96, 0.00290802/step Wall: 5957.96, 0.00290802/step, 2.38021 hours remaining, 207.757812 MB of memory in use. ENERGY: 2053400 745.7567 2146.0052 1948.7077 115.1443 -206178.4032 17802.0600 0.0000 0.0000 34264.1776 -149156.5516 299.2376 -183420.7292 -149069.4347 299.8165 -25.5939 6.1239 558448.3708 -6.7371 -6.9277 PRESSURE: 2053600 -106.547 47.7941 -143.588 47.7945 92.7616 24.0947 -143.588 24.0952 -16.8637 GPRESSURE: 2053600 -36.795 41.1835 -132.811 39.7728 79.0231 84.5693 -151.954 -31.8086 23.7743 PRESSAVG: 2053600 -19.4576 4.30347 -24 4.30345 17.4152 16.0449 -24 16.045 -12.7944 GPRESSAVG: 2053600 -19.4373 5.54452 -27.022 3.07193 16.3729 18.2313 -21.4631 15.8265 -11.5375 TIMING: 2053600 CPU: 5958.54, 0.0028844/step Wall: 5958.54, 0.0028844/step, 2.36072 hours remaining, 207.757812 MB of memory in use. ENERGY: 2053600 737.0950 2086.7626 1936.2018 113.3312 -206176.5789 17730.9551 0.0000 0.0000 34445.5815 -149126.6517 300.8218 -183572.2333 -149032.8412 299.2852 -10.2165 22.0008 557544.8264 -4.9456 -4.8673 PRESSURE: 2053800 113.992 137.509 -10.1729 137.509 -70.5492 -63.7493 -10.1728 -63.7484 -143.609 GPRESSURE: 2053800 148.408 268.279 -109.826 28.7046 -46.5251 -58.3093 51.8168 -51.6499 -107.093 PRESSAVG: 2053800 -31.5863 25.1085 60.4256 25.1084 78.369 -5.95754 60.4256 -5.95744 22.873 GPRESSAVG: 2053800 -31.7648 25.8443 60.7825 25.3502 78.9825 -7.12122 60.7052 -6.2181 22.3869 TIMING: 2053800 CPU: 5959.11, 0.0028871/step Wall: 5959.11, 0.0028871/step, 2.36277 hours remaining, 207.757812 MB of memory in use. ENERGY: 2053800 755.0863 2170.0534 1954.0958 120.8350 -206142.1519 17771.1170 0.0000 0.0000 34002.7532 -149368.2112 296.9545 -183370.9643 -149272.3827 299.0153 -33.3887 -1.7367 556288.6021 23.2185 23.2015 PRESSURE: 2054000 156.592 -36.4006 35.098 -36.4018 -199.554 134.133 35.0976 134.134 -111.233 GPRESSURE: 2054000 185.085 -43.5532 57.4697 44.9094 -145.204 83.1958 4.43371 97.8708 -99.3434 PRESSAVG: 2054000 8.96582 39.0385 -36.1551 39.0385 28.0412 -15.9666 -36.1552 -15.9666 -31.3359 GPRESSAVG: 2054000 9.21228 37.7802 -36.4525 39.1493 27.6543 -15.4562 -36.5362 -15.8876 -30.6792 TIMING: 2054000 CPU: 5959.69, 0.0028889/step Wall: 5959.69, 0.0028889/step, 2.36408 hours remaining, 207.757812 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: 2054000 741.6932 2102.5875 1969.1731 114.0789 -206122.1644 17682.3034 0.0000 0.0000 34324.4676 -149187.8606 299.7641 -183512.3282 -149084.3026 298.7852 -51.3986 -19.8208 557856.5318 1.8904 2.0624 PRESSURE: 2054200 199.48 82.939 6.92819 82.9381 -75.3076 -32.8189 6.92827 -32.8178 -151.263 GPRESSURE: 2054200 189.036 -67.1829 0.379169 148.205 -14.4251 -59.5261 -2.61094 -23.3468 -102.858 PRESSAVG: 2054200 -7.74636 28.4989 1.45006 28.499 -43.3212 -16.7099 1.45009 -16.7099 61.1534 GPRESSAVG: 2054200 -7.27219 28.9187 1.50284 29.1046 -42.9704 -15.5699 -2.01372 -15.9695 60.4379 TIMING: 2054200 CPU: 5960.27, 0.00291346/step Wall: 5960.27, 0.00291346/step, 2.38402 hours remaining, 207.757812 MB of memory in use. ENERGY: 2054200 775.8881 2115.8135 1930.5648 105.2857 -206365.8484 17890.1725 0.0000 0.0000 34243.0517 -149305.0720 299.0531 -183548.1237 -149209.7092 299.0851 -9.0301 23.9177 557609.5284 3.3619 3.3984 PRESSURE: 2054400 -48.2146 181.857 3.07232 181.857 -105.19 210.223 3.0721 210.221 -148.318 GPRESSURE: 2054400 16.9937 169.902 2.7067 121.848 -68.7099 353.44 100.078 208.299 -161.623 PRESSAVG: 2054400 17.3125 -23.884 55.2192 -23.8839 -49.5665 -21.6514 55.2193 -21.6513 24.2498 GPRESSAVG: 2054400 16.6511 -25.4319 54.5596 -24.1242 -49.6238 -22.9714 57.7119 -23.0933 25.008 TIMING: 2054400 CPU: 5960.85, 0.0028918/step Wall: 5960.85, 0.0028918/step, 2.36614 hours remaining, 207.757812 MB of memory in use. ENERGY: 2054400 769.7705 2096.0157 1931.2949 123.1244 -206380.3783 17809.3604 0.0000 0.0000 34209.8847 -149440.9278 298.7634 -183650.8125 -149350.2801 298.5541 -100.5741 -71.1132 557673.5296 -2.6681 -2.6549 PRESSURE: 2054600 48.8415 127.661 -4.64805 127.662 -87.9587 14.305 -4.64561 14.3055 150.538 GPRESSURE: 2054600 57.5685 100.023 -94.1758 166.597 -38.5248 -42.282 39.4695 29.1657 192.532 PRESSAVG: 2054600 -26.2845 8.4315 -3.64109 8.43142 -50.6308 16.7891 -3.64111 16.7891 62.1665 GPRESSAVG: 2054600 -25.708 11.4682 -3.01698 7.68631 -51.3528 16.8431 -4.19287 18.789 62.3485 TIMING: 2054600 CPU: 5961.43, 0.00290385/step Wall: 5961.43, 0.00290385/step, 2.37583 hours remaining, 207.757812 MB of memory in use. ENERGY: 2054600 722.2676 2083.4494 1950.9612 118.7478 -206211.3371 17807.9276 0.0000 0.0000 34207.1102 -149320.8733 298.7392 -183527.9836 -149231.1388 298.5522 37.1403 70.5253 557698.8967 -4.9163 -4.9041 PRESSURE: 2054800 -341.008 -82.2315 58.8169 -82.2315 -77.3761 0.522087 58.8159 0.522957 72.2717 GPRESSURE: 2054800 -340.24 -12.1928 108.253 -148.142 -45.4261 -9.71568 -17.7787 5.36649 136.256 PRESSAVG: 2054800 -38.954 -20.3006 -25.5399 -20.3006 -61.2227 13.9668 -25.5399 13.9668 121.199 GPRESSAVG: 2054800 -39.6009 -21.7343 -24.2625 -19.0648 -60.2187 14.9883 -25.7875 12.672 121.62 TIMING: 2054800 CPU: 5962.01, 0.00289091/step Wall: 5962.01, 0.00289091/step, 2.36509 hours remaining, 207.757812 MB of memory in use. ENERGY: 2054800 739.3103 2114.2308 1995.3935 111.4122 -206151.8750 17794.1325 0.0000 0.0000 34118.0135 -149279.3821 297.9611 -183397.3957 -149182.9396 298.3312 -115.3708 -83.1365 558549.2744 7.0074 7.2667 PRESSURE: 2055000 -269.094 -13.4095 27.5355 -13.4097 -208.418 -79.3014 27.5353 -79.3024 -53.0124 GPRESSURE: 2055000 -226.488 -67.8205 -14.3899 -40.5064 -174.907 -56.077 117.954 -99.3045 -32.7436 PRESSAVG: 2055000 -51.0982 3.34173 67.355 3.34176 -45.7465 25.4391 67.3551 25.4391 56.2801 GPRESSAVG: 2055000 -50.4686 3.07432 67.2685 3.55416 -46.5938 24.0192 67.644 25.1779 56.2389 TIMING: 2055000 CPU: 5962.59, 0.00288466/step Wall: 5962.59, 0.00288466/step, 2.35981 hours remaining, 207.757812 MB of memory in use. ENERGY: 2055000 774.6242 2090.6622 1955.0877 115.9244 -205937.0524 17582.7082 0.0000 0.0000 34248.9371 -149169.1086 299.1045 -183418.0457 -149073.6518 299.1835 -176.8417 -144.7129 558663.5706 -13.5215 -13.6078 PRESSURE: 2055200 196.068 138.725 -177.595 138.724 -165.416 64.5037 -177.594 64.5032 291.199 GPRESSURE: 2055200 268.044 195.581 -262.023 134.289 -168.045 63.8925 -196.36 31.0081 321.282 PRESSAVG: 2055200 52.0786 69.0085 -0.0663607 69.0085 4.10461 32.3496 -0.0663068 32.3497 -20.5859 GPRESSAVG: 2055200 52.6803 68.8384 -1.95173 69.1819 5.45828 32.0364 0.937018 31.0217 -22.3755 TIMING: 2055200 CPU: 5963.17, 0.00291416/step Wall: 5963.17, 0.00291416/step, 2.38378 hours remaining, 207.882812 MB of memory in use. ENERGY: 2055200 739.0202 2052.9948 1960.6815 116.9866 -206716.3574 17998.1072 0.0000 0.0000 34412.5779 -149435.9891 300.5336 -183848.5670 -149343.6167 299.0626 107.2836 140.4271 556978.4020 11.8658 11.9210 PRESSURE: 2055400 181.684 -25.1612 57.7121 -25.1605 -65.296 199.52 57.7115 199.52 373.644 GPRESSURE: 2055400 214.051 -25.7569 40.5952 13.7983 10.1453 146.454 70.0304 225.508 362.288 PRESSAVG: 2055400 -6.37047 34.3646 -48.0391 34.3646 -58.9529 37.2447 -48.0391 37.2447 38.4127 GPRESSAVG: 2055400 -6.51 34.4861 -48.4736 35.3291 -59.6866 39.65 -48.2481 39.6273 39.5181 TIMING: 2055400 CPU: 5963.75, 0.00290758/step Wall: 5963.75, 0.00290758/step, 2.37824 hours remaining, 207.882812 MB of memory in use. ENERGY: 2055400 745.0678 2074.9260 1941.9714 125.0105 -206694.6960 18119.8600 0.0000 0.0000 34190.6459 -149497.2144 298.5954 -183687.8602 -149406.4333 298.2872 163.3440 195.4945 556658.8908 -8.9702 -8.8928 PRESSURE: 2055600 -85.6126 96.3068 -35.6779 96.307 63.8686 191.552 -35.6782 191.549 -333.429 GPRESSURE: 2055600 -148.142 74.2995 -109.586 149.027 151.107 161.113 -73.3551 189.01 -256.967 PRESSAVG: 2055600 -28.3396 35.0555 4.23345 35.0556 -34.9908 57.0827 4.23354 57.0827 83.1529 GPRESSAVG: 2055600 -29.4968 36.5179 7.23218 33.5587 -33.7652 56.7085 1.01286 54.941 83.3474 TIMING: 2055600 CPU: 5964.33, 0.00289189/step Wall: 5964.33, 0.00289189/step, 2.36524 hours remaining, 207.882812 MB of memory in use. ENERGY: 2055600 736.5946 2057.5395 1969.8791 107.8148 -206158.1413 17704.3827 0.0000 0.0000 34150.4866 -149431.4441 298.2447 -183581.9307 -149329.6542 298.5095 -118.3909 -84.6674 556391.5927 6.6075 6.6951 PRESSURE: 2055800 -252.188 125.912 -82.9251 125.911 -146.623 -80.41 -82.9241 -80.4105 315.4 GPRESSURE: 2055800 -197.01 71.4256 -60.5171 105.813 -114.271 -37.7914 -57.1165 -100.988 320.848 PRESSAVG: 2055800 -18.4418 86.4278 14.4031 86.4278 15.445 -24.064 14.403 -24.0641 7.79104 GPRESSAVG: 2055800 -17.7224 85.6166 14.2426 87.8523 14.3559 -25.0296 16.0463 -22.3259 8.01477 TIMING: 2055800 CPU: 5964.9, 0.00285912/step Wall: 5964.9, 0.00285912/step, 2.33828 hours remaining, 207.882812 MB of memory in use. ENERGY: 2055800 725.6304 2033.7344 1946.3210 113.7599 -206088.1227 17677.3140 0.0000 0.0000 34399.8532 -149191.5098 300.4225 -183591.3630 -149095.7212 298.6512 -27.8035 3.1892 556829.2270 1.5981 1.5494 PRESSURE: 2056000 226.486 -84.9589 110.377 -84.958 -30.4821 151.123 110.377 151.122 100.819 GPRESSURE: 2056000 240.396 17.8047 -6.13226 -136.615 65.4448 130.412 178.62 198.302 100.116 PRESSAVG: 2056000 43.6599 21.986 -11.6129 21.9861 -4.49459 55.4287 -11.6131 55.4287 26.0832 GPRESSAVG: 2056000 42.4716 20.9248 -14.2964 19.7874 -4.45753 55.4112 -9.12065 54.0475 27.2342 TIMING: 2056000 CPU: 5965.48, 0.0028977/step Wall: 5965.48, 0.0028977/step, 2.36968 hours remaining, 207.882812 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: 2056000 739.1710 2092.6018 1970.0854 117.3154 -206164.6885 17720.2444 0.0000 0.0000 34233.8300 -149291.4404 298.9726 -183525.2705 -149201.4823 298.8682 98.9409 135.3191 554957.5904 21.7495 21.7494 PRESSURE: 2056200 -146.786 184.723 58.2937 184.722 -8.30305 110.266 58.2941 110.267 -145.313 GPRESSURE: 2056200 -39.219 191.275 45.7608 70.0574 -2.75386 122.919 119.013 70.2947 -174.014 PRESSAVG: 2056200 102.252 52.4673 21.277 52.4673 -45.5776 -10.0208 21.277 -10.0208 21.3434 GPRESSAVG: 2056200 103.332 52.2157 23.3154 53.1494 -44.7699 -9.16251 19.6768 -10.015 19.6102 TIMING: 2056200 CPU: 5966.06, 0.00289843/step Wall: 5966.06, 0.00289843/step, 2.37011 hours remaining, 207.882812 MB of memory in use. ENERGY: 2056200 720.4091 2092.2407 1933.6464 112.8266 -205966.1000 17481.0868 0.0000 0.0000 34050.0135 -149575.8770 297.3672 -183625.8905 -149476.1495 298.7024 -100.1340 -71.9955 556577.8575 26.0060 26.0574 LDB: ============= START OF LOAD BALANCING ============== 5969.53 LDB: ============== END OF LOAD BALANCING =============== 5969.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5969.53 LDB: ============= START OF LOAD BALANCING ============== 5969.82 LDB: Largest compute 4820 load 0.028808 is 24.5% of average load 0.117789 LDB: Average compute 0.001716 is 1.5% of average load 0.117789 LDB: TIME 5969.82 LOAD: AVG 0.117789 MAX 0.181178 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 5969.82 LOAD: AVG 0.117789 MAX 0.181178 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: TIME 5969.82 LOAD: AVG 0.117789 MAX 0.181178 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: ============== END OF LOAD BALANCING =============== 5969.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5969.83 PRESSURE: 2056400 -310.542 -36.0455 225.35 -36.0459 -140.416 76.3169 225.35 76.3171 -81.7923 GPRESSURE: 2056400 -238.057 24.0157 171.571 28.7233 -138.107 18.5664 196.769 125.652 -55.7523 PRESSAVG: 2056400 -55.4034 0.514213 -4.42576 0.514102 -36.9317 -36.549 -4.42572 -36.5489 24.1395 GPRESSAVG: 2056400 -55.5519 2.94247 -4.23052 -0.216923 -36.3886 -38.3848 -6.52352 -36.1047 23.9516 TIMING: 2056400 CPU: 5966.65, 0.00295699/step Wall: 5966.65, 0.00295699/step, 2.41783 hours remaining, 205.617188 MB of memory in use. ENERGY: 2056400 778.7457 2155.2756 1963.5814 112.3204 -206394.4729 17494.5606 0.0000 0.0000 34370.4046 -149519.5845 300.1653 -183889.9892 -149428.7884 298.2385 -177.5837 -143.9721 556470.2607 -22.7319 -22.6630 PRESSURE: 2056600 -198.64 131.477 94.9714 131.476 -385.751 -7.59524 94.9725 -7.59564 55.5467 GPRESSURE: 2056600 -131.406 155.733 133.771 98.9268 -378.244 44.359 85.3991 -48.2192 81.0418 PRESSAVG: 2056600 -45.0518 19.7537 -14.4739 19.7537 -38.5603 1.15589 -14.474 1.15582 79.2188 GPRESSAVG: 2056600 -45.2844 17.4206 -15.263 20.5196 -38.6409 1.58037 -13.0933 3.27456 79.5494 TIMING: 2056600 CPU: 5967.23, 0.00287556/step Wall: 5967.23, 0.00287556/step, 2.35109 hours remaining, 205.617188 MB of memory in use. ENERGY: 2056600 713.0738 2162.8320 1975.5930 114.4060 -206248.7919 17503.3383 0.0000 0.0000 34106.6275 -149672.9213 297.8617 -183779.5487 -149571.9596 298.3014 -176.2812 -142.8697 556930.9019 -1.4644 -1.4586 PRESSURE: 2056800 -181.192 -52.7741 -110.644 -52.7748 -169.118 -74.2536 -110.645 -74.2529 -2.60636 GPRESSURE: 2056800 -154.591 -62.997 -111.871 -103.092 -122.19 -36.5925 -133.732 -171.953 22.6023 PRESSAVG: 2056800 19.8045 1.36645 22.1514 1.36645 -80.3076 -21.1792 22.1514 -21.1792 86.8746 GPRESSAVG: 2056800 20.1558 3.21549 22.271 1.84806 -80.1712 -20.1492 20.973 -21.6946 86.4101 TIMING: 2056800 CPU: 5967.81, 0.00288755/step Wall: 5967.81, 0.00288755/step, 2.36073 hours remaining, 205.617188 MB of memory in use. ENERGY: 2056800 706.5896 2064.8875 1971.9680 112.2911 -206066.1124 17624.2140 0.0000 0.0000 33975.9322 -149610.2300 296.7203 -183586.1622 -149516.1885 298.2808 -117.6389 -84.7262 557020.0701 8.7905 8.7982 PRESSURE: 2057000 -305.427 8.66904 -77.6796 8.66898 -29.1705 -28.6033 -77.6791 -28.6027 118.569 GPRESSURE: 2057000 -233.479 33.872 -68.4769 4.63973 4.87274 -94.2314 -97.793 5.29625 106.738 PRESSAVG: 2057000 -44.0185 -20.5792 -27.0033 -20.5792 -39.8477 -52.6166 -27.0033 -52.6166 73.6439 GPRESSAVG: 2057000 -43.4198 -22.4791 -27.2598 -20.7218 -40.7877 -52.82 -27.1396 -55.0548 73.6227 TIMING: 2057000 CPU: 5968.39, 0.00289818/step Wall: 5968.39, 0.00289818/step, 2.36927 hours remaining, 205.617188 MB of memory in use. ENERGY: 2057000 743.3150 2101.5626 1956.9007 110.8874 -206225.5760 17709.7654 0.0000 0.0000 33928.6084 -149674.5365 296.3070 -183603.1448 -149580.3599 298.1280 -72.0095 -40.6227 556244.6390 -3.4074 -3.5283 PRESSURE: 2057200 59.7423 -33.5812 -255.491 -33.5812 -46.5264 -58.2385 -255.491 -58.2369 -114.098 GPRESSURE: 2057200 117.411 -32.569 -133.883 -17.6453 -55.5119 -5.97008 -306.34 20.2603 -74.9644 PRESSAVG: 2057200 29.3996 9.56584 -11.8148 9.56579 -23.0081 -2.06388 -11.8148 -2.06381 23.5235 GPRESSAVG: 2057200 28.0758 11.1792 -11.6815 9.16702 -23.2529 -3.61585 -9.48122 -0.847244 24.8748 TIMING: 2057200 CPU: 5968.96, 0.00287922/step Wall: 5968.96, 0.00287922/step, 2.3536 hours remaining, 205.617188 MB of memory in use. ENERGY: 2057200 745.4663 2089.6541 1943.5160 114.7021 -206616.2077 17845.2580 0.0000 0.0000 33974.7454 -149902.8659 296.7099 -183877.6113 -149805.5716 296.8732 -33.6274 -4.3552 556956.5164 9.9717 9.8992 PRESSURE: 2057400 83.6521 -230.162 172.542 -230.162 -189.522 -153.84 172.541 -153.842 253.382 GPRESSURE: 2057400 114.624 -143.049 119.403 -158.322 -104.387 -50.1571 222.074 -163.523 223.743 PRESSAVG: 2057400 -46.6306 -0.227966 82.9367 -0.227912 0.128646 -29.4308 82.9366 -29.431 45.2597 GPRESSAVG: 2057400 -47.5378 -1.93825 84.0947 -0.717677 2.07306 -26.3815 79.8416 -30.6309 43.8529 TIMING: 2057400 CPU: 5969.54, 0.00287573/step Wall: 5969.54, 0.00287573/step, 2.35059 hours remaining, 205.617188 MB of memory in use. ENERGY: 2057400 724.1309 2106.4653 1951.9202 109.4432 -206816.6925 17953.2980 0.0000 0.0000 34293.4699 -149677.9650 299.4934 -183971.4349 -149582.2280 297.5833 49.1705 77.9931 556509.5262 -0.4141 -0.5373 PRESSURE: 2057600 176.3 54.2336 -126.413 54.2344 140.055 -25.1577 -126.413 -25.1565 315.298 GPRESSURE: 2057600 241.045 6.945 -108.132 -12.0898 181.564 -61.7352 -129.692 13.9298 306.829 PRESSAVG: 2057600 -4.06744 32.3998 51.2287 32.3998 3.76422 -19.9038 51.2288 -19.9038 41.0739 GPRESSAVG: 2057600 -3.27228 32.7997 48.5853 31.5476 1.84765 -22.2578 53.09 -17.9557 41.8126 TIMING: 2057600 CPU: 5970.11, 0.00286241/step Wall: 5970.11, 0.00286241/step, 2.33954 hours remaining, 205.617188 MB of memory in use. ENERGY: 2057600 717.8901 2061.9965 1957.7696 115.1993 -206615.1029 18114.9547 0.0000 0.0000 34097.7631 -149549.5295 297.7842 -183647.2926 -149451.5928 298.4917 210.5510 243.1458 556393.3963 13.5902 13.4627 PRESSURE: 2057800 -57.2458 -114.354 128.768 -114.354 44.7735 134.496 128.768 134.494 -52.9382 GPRESSURE: 2057800 -13.5134 -90.5044 174.562 -173.499 49.6914 191.299 113.055 83.0359 -6.33585 PRESSAVG: 2057800 23.5266 -21.976 23.1105 -21.976 44.9289 -15.7631 23.1106 -15.763 -110.02 GPRESSAVG: 2057800 23.8367 -20.7537 25.1173 -21.1619 44.2202 -14.5646 23.2732 -16.0983 -110.328 TIMING: 2057800 CPU: 5970.69, 0.00288722/step Wall: 5970.69, 0.00288722/step, 2.35966 hours remaining, 205.617188 MB of memory in use. ENERGY: 2057800 709.9119 2099.7920 1953.4209 103.9376 -206048.9037 17710.9628 0.0000 0.0000 34041.3371 -149429.5414 297.2915 -183470.8785 -149336.5996 298.2477 -21.8035 9.9474 557608.9069 -13.8549 -14.0903 PRESSURE: 2058000 -26.2519 58.3159 -93.3932 58.3144 -21.9697 123.253 -93.3922 123.256 26.304 GPRESSURE: 2058000 2.21779 79.2297 -8.67909 66.8437 10.2854 152.515 -50.1103 59.5694 50.6863 PRESSAVG: 2058000 21.8473 -41.0103 90.9742 -41.0104 13.5925 -42.1559 90.9742 -42.1559 -21.7705 GPRESSAVG: 2058000 21.065 -42.2886 91.9534 -40.8895 15.4371 -42.7232 90.0238 -41.0738 -23.0732 TIMING: 2058000 CPU: 5971.27, 0.00289542/step Wall: 5971.27, 0.00289542/step, 2.3662 hours remaining, 205.617188 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: 2058000 726.2580 2088.1954 1914.4124 110.3291 -206228.8474 17900.3540 0.0000 0.0000 33992.2231 -149497.0754 296.8625 -183489.2985 -149398.2757 298.3797 -7.3058 21.0632 558618.4683 4.5564 4.4763 PRESSURE: 2058200 40.3108 134.542 77.3888 134.542 -237.664 -35.3141 77.389 -35.3136 156.434 GPRESSURE: 2058200 84.4947 123.33 34.1633 118.956 -201.455 105.304 158.921 -157.603 167.082 PRESSAVG: 2058200 63.0552 11.5114 46.0102 11.5114 8.72057 50.1801 46.0101 50.1801 -48.4332 GPRESSAVG: 2058200 63.0338 12.4636 44.6768 12.9482 8.85391 51.4444 47.235 47.0145 -48.6631 TIMING: 2058200 CPU: 5971.85, 0.00289259/step Wall: 5971.85, 0.00289259/step, 2.36373 hours remaining, 205.617188 MB of memory in use. ENERGY: 2058200 749.2392 2151.3487 1939.8976 107.3813 -206677.0017 17972.8177 0.0000 0.0000 34340.5298 -149415.7876 299.9044 -183756.3173 -149321.0409 298.4628 -13.6398 16.7074 558546.8330 7.7809 7.7415 PRESSURE: 2058400 -322.428 -133.037 114.104 -133.036 -225.038 -109.167 114.105 -109.165 -351.631 GPRESSURE: 2058400 -236.218 -106.281 156.349 -187.264 -220.005 -68.6744 66.8674 -125.952 -341.159 PRESSAVG: 2058400 -105.335 -36.3992 50.5708 -36.3992 3.8304 -18.9679 50.5708 -18.9679 72.0037 GPRESSAVG: 2058400 -104.893 -38.7405 50.6691 -38.4567 3.03127 -21.0548 49.8314 -17.5652 72.3644 TIMING: 2058400 CPU: 5972.42, 0.00288273/step Wall: 5972.42, 0.00288273/step, 2.35551 hours remaining, 205.820312 MB of memory in use. ENERGY: 2058400 762.0223 2098.8381 1948.8983 103.7462 -206390.5824 17733.2492 0.0000 0.0000 34331.0055 -149412.8228 299.8212 -183743.8282 -149320.0505 298.5227 -299.6989 -265.7940 559466.9837 -9.8336 -9.8325 PRESSURE: 2058600 -55.5861 -22.3725 -118.676 -22.3725 -220.011 -201.219 -118.676 -201.217 -81.9812 GPRESSURE: 2058600 -92.8338 -54.6828 -43.3113 -42.32 -118.397 -235.378 -187.779 -177.424 -61.1939 PRESSAVG: 2058600 -6.5247 37.5936 -20.3096 37.5936 2.46524 3.92912 -20.3095 3.92905 -12.0844 GPRESSAVG: 2058600 -6.77886 39.9076 -19.7905 37.626 2.16271 5.09639 -20.3285 3.15844 -12.1572 TIMING: 2058600 CPU: 5973, 0.00286882/step Wall: 5973, 0.00286882/step, 2.34399 hours remaining, 205.820312 MB of memory in use. ENERGY: 2058600 746.0303 2091.7963 1967.9671 114.9438 -206011.8183 17657.3117 0.0000 0.0000 34015.9931 -149417.7760 297.0701 -183433.7691 -149328.3194 298.5938 -119.1928 -90.8083 558676.8351 -5.3813 -5.5911 PRESSURE: 2058800 -140.863 -23.1096 -20.0026 -23.1101 66.4325 -8.44225 -20.004 -8.44312 142.524 GPRESSURE: 2058800 -113.705 -32.2266 7.17321 49.1333 88.3786 4.10091 -3.08533 -59.2296 184.016 PRESSAVG: 2058800 -7.96125 25.7288 -9.65569 25.7289 -27.4552 -3.85284 -9.65566 -3.85296 -1.95377 GPRESSAVG: 2058800 -7.79576 25.6076 -9.48249 25.8711 -27.6471 -4.15689 -8.09632 -3.56657 -1.90118 TIMING: 2058800 CPU: 5973.57, 0.00286951/step Wall: 5973.57, 0.00286951/step, 2.34439 hours remaining, 205.820312 MB of memory in use. ENERGY: 2058800 724.8458 2073.2201 1968.4186 114.7835 -206379.1686 17922.3374 0.0000 0.0000 34065.9491 -149509.6141 297.5064 -183575.5632 -149411.9768 297.7902 22.6978 52.8965 559168.7489 -12.4567 -12.4480 PRESSURE: 2059000 -91.0061 79.7298 -66.7581 79.731 117.134 32.7281 -66.7584 32.7281 -14.9572 GPRESSURE: 2059000 -55.9208 15.0476 -68.7064 76.8743 177.489 -66.8434 -24.8418 38.3239 -17.6711 PRESSAVG: 2059000 -55.0799 22.9785 -18.1784 22.9786 57.1101 -10.7896 -18.1785 -10.7895 21.8007 GPRESSAVG: 2059000 -55.1181 24.2931 -17.5654 21.865 56.7 -11.7829 -19.5288 -10.4785 21.794 TIMING: 2059000 CPU: 5974.15, 0.00288765/step Wall: 5974.15, 0.00288765/step, 2.35905 hours remaining, 205.820312 MB of memory in use. ENERGY: 2059000 752.5640 2147.4724 1964.6416 115.0016 -206943.8621 18056.4631 0.0000 0.0000 34130.5967 -149777.1226 298.0710 -183907.7193 -149678.6131 297.6759 3.7236 34.6325 558002.2460 7.9436 7.7920 PRESSURE: 2059200 -3.08803 -96.5116 -51.4824 -96.5118 -98.27 -79.6199 -51.4814 -79.6212 114.117 GPRESSURE: 2059200 73.6571 -24.164 -82.402 -142.334 -129.769 -128.915 -89.7919 34.305 161.779 PRESSAVG: 2059200 -52.5367 -45.5722 -3.88927 -45.5722 11.3475 44.3853 -3.88932 44.3853 53.8694 GPRESSAVG: 2059200 -51.9682 -47.3362 -5.28308 -43.7806 11.1317 44.4386 -3.66305 45.0896 53.8177 TIMING: 2059200 CPU: 5974.72, 0.00286556/step Wall: 5974.72, 0.00286556/step, 2.34085 hours remaining, 205.820312 MB of memory in use. ENERGY: 2059200 747.8195 2111.4651 1974.8130 123.1579 -206471.6254 17927.5707 0.0000 0.0000 34065.8204 -149520.9788 297.5053 -183586.7992 -149431.2322 297.8839 4.2529 35.2221 559059.9509 4.2267 4.3270 PRESSURE: 2059400 -93.921 -14.6848 38.6241 -14.6843 -89.2496 -30.0471 38.6232 -30.0482 -11.6012 GPRESSURE: 2059400 -44.1462 -34.443 -13.4773 48.1929 -34.2738 -54.8239 62.5018 18.2571 -23.2095 PRESSAVG: 2059400 -41.259 -0.937447 38.4808 -0.937447 -8.6008 -35.7275 38.4808 -35.7276 44.8012 GPRESSAVG: 2059400 -42.8243 0.970122 39.7042 -1.73015 -7.55326 -34.9671 37.5198 -37.494 45.5579 TIMING: 2059400 CPU: 5975.3, 0.00290554/step Wall: 5975.3, 0.00290554/step, 2.37334 hours remaining, 205.820312 MB of memory in use. ENERGY: 2059400 719.3167 2075.0984 1982.2796 108.6437 -206719.1177 17932.0400 0.0000 0.0000 34293.9959 -149607.7435 299.4980 -183901.7394 -149515.3999 298.8543 -64.9239 -33.8765 557470.4027 -1.6862 -1.6066 PRESSURE: 2059600 14.0514 35.3873 -165.374 35.3862 84.9062 -59.7975 -165.373 -59.7989 175.67 GPRESSURE: 2059600 52.042 50.8651 -192.856 -9.94664 93.3926 -18.6256 -157.842 -0.725036 227.133 PRESSAVG: 2059600 11.6839 6.50851 37.8392 6.5086 27.2722 -50.3821 37.8391 -50.382 -11.0506 GPRESSAVG: 2059600 12.6633 5.66751 37.2078 7.67267 26.5293 -49.7157 39.6864 -48.9442 -11.4937 TIMING: 2059600 CPU: 5975.88, 0.00288342/step Wall: 5975.88, 0.00288342/step, 2.35511 hours remaining, 205.820312 MB of memory in use. ENERGY: 2059600 742.7212 2106.0062 1951.2803 117.9646 -206604.8126 17952.8868 0.0000 0.0000 34149.1075 -149584.8460 298.2326 -183733.9535 -149489.1497 299.1367 91.5426 124.1891 556366.3097 9.3018 9.2330 PRESSURE: 2059800 -137.687 8.16842 -110.406 8.168 32.5104 -103.848 -110.407 -103.847 -105.227 GPRESSURE: 2059800 -141.255 -86.4802 -27.1861 88.5871 85.3185 -192.559 -78.3643 -47.8184 -56.7949 PRESSAVG: 2059800 49.89 4.58835 9.72211 4.58839 -22.5286 -69.1859 9.72213 -69.1858 -5.58157 GPRESSAVG: 2059800 49.6734 3.06293 9.11289 5.46033 -22.59 -69.3737 9.00269 -70.7821 -5.3318 TIMING: 2059800 CPU: 5976.45, 0.0028641/step Wall: 5976.45, 0.0028641/step, 2.33918 hours remaining, 205.820312 MB of memory in use. ENERGY: 2059800 747.0425 2066.1259 1991.0033 118.6613 -206317.1084 17736.2761 0.0000 0.0000 34213.7522 -149444.2472 298.7972 -183657.9994 -149344.8719 298.8641 -70.1347 -37.5773 555325.2824 7.2599 7.2505 PRESSURE: 2060000 -320.146 70.1334 4.55123 70.1329 -171.324 186.548 4.5495 186.548 191.525 GPRESSURE: 2060000 -259.253 102.196 -100.423 55.6307 -113.295 166.173 139.568 179.831 180.652 PRESSAVG: 2060000 -41.722 -7.23478 16.4469 -7.23481 -5.64709 -21.2685 16.4468 -21.2686 24.7951 GPRESSAVG: 2060000 -41.8236 -7.89065 15.5387 -7.31118 -5.53726 -22.6606 16.0758 -20.5761 24.3795 TIMING: 2060000 CPU: 5977.02, 0.00287137/step Wall: 5977.02, 0.00287137/step, 2.34495 hours remaining, 205.820312 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: 2060000 782.2222 2100.8365 1974.9913 112.6294 -206148.2745 17671.0684 0.0000 0.0000 34137.3646 -149369.1620 298.1301 -183506.5266 -149270.3563 298.7958 -99.9815 -63.9652 555771.1706 -7.5247 -7.6605 PRESSURE: 2060200 187.542 -47.0574 9.31126 -47.0572 21.9301 23.0158 9.31033 23.017 167.76 GPRESSURE: 2060200 213.164 -20.1225 53.2987 -163.866 3.15822 81.2453 21.3426 -20.664 241.809 PRESSAVG: 2060200 -54.3139 -16.5035 -6.56445 -16.5036 101.84 -30.5081 -6.56453 -30.5081 -27.6353 GPRESSAVG: 2060200 -52.9798 -13.4308 -5.99635 -16.7221 101.749 -29.2084 -8.34203 -30.3566 -28.7418 TIMING: 2060200 CPU: 5977.6, 0.00288554/step Wall: 5977.6, 0.00288554/step, 2.35637 hours remaining, 205.820312 MB of memory in use. ENERGY: 2060200 728.5897 2045.0686 1958.2843 113.0458 -206245.3551 18032.8195 0.0000 0.0000 34127.9861 -149239.5611 298.0482 -183367.5472 -149146.8291 299.0586 125.7443 152.7105 558339.3020 6.6304 6.6757 LDB: ============= START OF LOAD BALANCING ============== 5981.07 LDB: ============== END OF LOAD BALANCING =============== 5981.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5981.07 LDB: ============= START OF LOAD BALANCING ============== 5981.36 LDB: Largest compute 4820 load 0.028524 is 24.2% of average load 0.117842 LDB: Average compute 0.001711 is 1.5% of average load 0.117842 LDB: TIME 5981.36 LOAD: AVG 0.117842 MAX 0.178577 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 5981.36 LOAD: AVG 0.117842 MAX 0.178577 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: TIME 5981.36 LOAD: AVG 0.117842 MAX 0.178577 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.664 MB LDB: ============== END OF LOAD BALANCING =============== 5981.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5981.37 PRESSURE: 2060400 42.9543 231.978 -4.17706 231.977 18.4529 -0.832806 -4.17788 -0.833678 -304.961 GPRESSURE: 2060400 0.956157 257.014 -1.58552 247.104 89.9322 38.5613 47.73 -54.2611 -250.267 PRESSAVG: 2060400 24.3123 29.8492 -16.7558 29.8493 -55.1817 22.6173 -16.7559 22.6174 15.4079 GPRESSAVG: 2060400 23.2854 28.84 -17.5305 28.1167 -54.3043 23.6956 -16.1167 21.6642 15.8071 TIMING: 2060400 CPU: 5978.19, 0.00294393/step Wall: 5978.19, 0.00294393/step, 2.40388 hours remaining, 208.019531 MB of memory in use. ENERGY: 2060400 731.7984 2109.6726 1962.5298 116.3528 -206045.3247 17768.6193 0.0000 0.0000 34101.8543 -149254.4975 297.8200 -183356.3518 -149153.4114 298.9058 -81.1847 -53.1263 558534.8878 -5.1538 -5.0706 PRESSURE: 2060600 67.6322 57.9537 75.1331 57.9542 -128.758 -47.7897 75.1329 -47.7863 49.281 GPRESSURE: 2060600 121.534 54.3788 -7.86243 80.2717 -144.927 -176.79 89.2277 9.39692 91.0146 PRESSAVG: 2060600 41.3424 20.9612 31.404 20.9611 -1.00598 33.6024 31.404 33.6025 32.0217 GPRESSAVG: 2060600 43.1439 22.5858 31.5635 20.7414 -2.96662 31.5934 33.6039 33.1635 32.4528 TIMING: 2060600 CPU: 5978.76, 0.00287072/step Wall: 5978.76, 0.00287072/step, 2.34395 hours remaining, 208.277344 MB of memory in use. ENERGY: 2060600 741.5622 2036.9482 1990.5483 114.7762 -206069.8009 17824.4634 0.0000 0.0000 33832.3286 -149529.1739 295.4661 -183361.5025 -149428.1868 298.1991 -3.9484 22.5403 556606.5403 24.1194 24.2100 PRESSURE: 2060800 38.9831 -39.8721 -73.0295 -39.873 -314.536 -205.967 -73.0297 -205.968 -52.6063 GPRESSURE: 2060800 15.451 -39.3947 -98.406 46.223 -239.789 -130.637 28.5113 -242.761 -5.40895 PRESSAVG: 2060800 38.7292 14.9972 -3.46152 14.9972 -82.6645 -7.06055 -3.46157 -7.06046 3.40039 GPRESSAVG: 2060800 37.1468 14.0325 -1.25021 15.9827 -80.451 -7.33733 -5.93218 -8.45683 3.25759 TIMING: 2060800 CPU: 5979.34, 0.00288372/step Wall: 5979.34, 0.00288372/step, 2.3544 hours remaining, 208.277344 MB of memory in use. ENERGY: 2060800 769.9128 2043.9884 1970.4070 134.3956 -206352.8432 17641.9362 0.0000 0.0000 34010.6951 -149781.5080 297.0239 -183792.2031 -149683.9221 297.7651 -109.3865 -76.5824 555768.1722 -13.5116 -13.3489 PRESSURE: 2061000 -165.749 -139.761 25.6836 -139.761 10.1957 69.6518 25.6855 69.6519 126.692 GPRESSURE: 2061000 -155.033 -137.519 97.7786 -140.647 53.6311 103.649 -1.63284 127.087 169.769 PRESSAVG: 2061000 26.6932 -45.6536 -52.8862 -45.6535 -23.7669 8.798 -52.8863 8.79804 -10.3834 GPRESSAVG: 2061000 27.2552 -46.965 -54.7501 -43.9259 -24.2526 7.98721 -53.1973 10.529 -10.0757 TIMING: 2061000 CPU: 5979.92, 0.00287582/step Wall: 5979.92, 0.00287582/step, 2.34779 hours remaining, 208.277344 MB of memory in use. ENERGY: 2061000 725.6471 2105.9818 1960.0406 122.4890 -206469.6922 17823.1725 0.0000 0.0000 33999.6318 -149732.7292 296.9272 -183732.3611 -149639.5597 297.3678 -9.6203 22.7888 555427.2117 -2.4857 -2.3577 PRESSURE: 2061200 -76.5017 16.2753 6.08168 16.2753 3.39622 70.342 6.08265 70.3431 -131.254 GPRESSURE: 2061200 -39.4946 18.9277 129.545 43.9505 -6.59097 109.318 -20.5408 83.3023 -58.8762 PRESSAVG: 2061200 15.6396 -41.9965 -35.1458 -41.9965 16.4063 29.3021 -35.1458 29.3021 -22.0121 GPRESSAVG: 2061200 14.7291 -41.6359 -33.5848 -44.9944 17.4857 30.9133 -35.5577 27.1334 -22.6627 TIMING: 2061200 CPU: 5980.5, 0.00289217/step Wall: 5980.5, 0.00289217/step, 2.36098 hours remaining, 208.277344 MB of memory in use. ENERGY: 2061200 759.5313 2075.5570 1926.0764 118.1345 -206570.1903 17743.8189 0.0000 0.0000 34298.7537 -149648.3185 299.5395 -183947.0722 -149549.2759 297.9570 -68.1198 -34.9873 555428.2380 3.3446 3.1840 PRESSURE: 2061400 184.729 -137.888 47.472 -137.887 21.4956 124.194 47.4715 124.194 133.028 GPRESSURE: 2061400 190.007 -101.958 97.62 -179.296 129.997 -8.20923 -4.53282 14.8271 114.894 PRESSAVG: 2061400 -23.4845 -55.009 41.1779 -55.009 44.8961 57.964 41.178 57.9641 -52.8093 GPRESSAVG: 2061400 -22.6046 -54.5973 39.4467 -54.9673 44.3752 57.3168 43.2937 58.0633 -53.4809 TIMING: 2061400 CPU: 5981.07, 0.00288827/step Wall: 5981.07, 0.00288827/step, 2.35763 hours remaining, 208.277344 MB of memory in use. ENERGY: 2061400 712.7451 2075.7946 1937.4354 115.3989 -206836.0092 17953.3019 0.0000 0.0000 34302.6270 -149738.7063 299.5734 -184041.3333 -149643.0724 297.5280 113.0842 144.9660 555562.7743 -10.4659 -10.5701 PRESSURE: 2061600 -75.5531 -145.671 -35.8696 -145.672 -44.2765 0.687772 -35.8694 0.687849 -138.169 GPRESSURE: 2061600 5.22187 -112.035 -65.3969 -63.1007 -27.0116 8.58151 16.6504 6.91253 -127.016 PRESSAVG: 2061600 -17.6335 -2.172 57.2404 -2.17191 35.562 41.7366 57.2403 41.7366 -15.3443 GPRESSAVG: 2061600 -18.4071 -3.51853 57.9296 -0.395001 35.7894 40.7741 56.5822 43.8367 -14.3976 TIMING: 2061600 CPU: 5981.65, 0.00288384/step Wall: 5981.65, 0.00288384/step, 2.35385 hours remaining, 208.277344 MB of memory in use. ENERGY: 2061600 721.7592 2097.6388 1957.5149 106.9371 -206357.4527 17747.0620 0.0000 0.0000 33974.9696 -149751.5712 296.7119 -183726.5407 -149659.4434 297.1990 -85.9996 -49.6020 557221.4230 0.8614 0.9949 PRESSURE: 2061800 104.36 11.0581 120.231 11.0578 26.4491 -90.8958 120.23 -90.8954 -347.401 GPRESSURE: 2061800 182.773 -61.3988 164.012 67.6621 31.7497 -39.62 164.44 -109.181 -347.612 PRESSAVG: 2061800 57.0571 6.9525 13.0824 6.95244 -20.0609 -4.13067 13.0825 -4.13067 -19.2939 GPRESSAVG: 2061800 57.8945 8.57975 10.9108 6.94349 -20.5848 -3.89418 14.4755 -5.6156 -19.6682 TIMING: 2061800 CPU: 5982.23, 0.0028823/step Wall: 5982.23, 0.0028823/step, 2.35244 hours remaining, 208.277344 MB of memory in use. ENERGY: 2061800 729.0541 2058.2493 1977.3823 111.3571 -206072.4604 17747.6476 0.0000 0.0000 33990.9232 -149457.8469 296.8512 -183448.7701 -149360.7706 297.3556 -72.1972 -44.3630 557205.1184 5.9008 5.8805 PRESSURE: 2062000 132.252 30.0653 -94.8209 30.0655 -227.876 -30.6651 -94.8213 -30.6647 -174.038 GPRESSURE: 2062000 142.965 31.3035 -55.444 58.8134 -178.993 -65.5787 -122.573 1.0913 -133.995 PRESSAVG: 2062000 19.3227 22.5884 30.0053 22.5884 -5.49878 14.9621 30.0053 14.9622 -57.8121 GPRESSAVG: 2062000 19.8029 23.0732 31.7348 22.2825 -5.78001 14.658 28.221 15.7049 -58.0554 TIMING: 2062000 CPU: 5982.81, 0.00290638/step Wall: 5982.81, 0.00290638/step, 2.37193 hours remaining, 208.351562 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: 2062000 749.5192 2101.5812 1954.6720 116.8235 -206304.2935 17730.2164 0.0000 0.0000 34185.7900 -149465.6911 298.5530 -183651.4812 -149375.2010 297.9972 -89.8873 -56.6744 556711.7094 -14.6627 -14.6775 PRESSURE: 2062200 -37.8488 88.2298 95.8278 88.2292 -152.427 -144.886 95.8282 -144.887 -254.05 GPRESSURE: 2062200 -2.6895 171.483 67.2239 16.4727 -84.2939 -148.159 28.6548 -130.055 -246.497 PRESSAVG: 2062200 19.9588 13.7566 11.1158 13.7566 -17.9694 -35.2016 11.1157 -35.2015 -46.0515 GPRESSAVG: 2062200 18.5493 11.3807 12.2638 13.3625 -16.7003 -35.1759 10.6825 -35.5581 -45.399 TIMING: 2062200 CPU: 5983.38, 0.00288263/step Wall: 5983.38, 0.00288263/step, 2.35239 hours remaining, 208.351562 MB of memory in use. ENERGY: 2062200 732.8817 2092.9828 1966.9028 110.9592 -206194.0707 17621.3947 0.0000 0.0000 34052.7755 -149616.1740 297.3914 -183668.9495 -149513.3850 298.0617 -148.1084 -111.1601 556931.5044 -14.6873 -14.5167 PRESSURE: 2062400 136.054 -137.048 132.003 -137.048 -109.593 48.4339 132.004 48.4343 -44.6804 GPRESSURE: 2062400 132.212 -130.332 121.836 -60.0633 -68.2144 64.5726 103.669 -15.0811 -0.0461449 PRESSAVG: 2062400 13.4006 9.66502 28.9923 9.66495 -36.8126 -52.0057 28.9923 -52.0058 24.966 GPRESSAVG: 2062400 14.1987 9.22867 27.7747 9.81612 -37.1345 -50.1012 30.0207 -52.7673 24.327 TIMING: 2062400 CPU: 5983.96, 0.00288586/step Wall: 5983.96, 0.00288586/step, 2.35486 hours remaining, 208.523438 MB of memory in use. ENERGY: 2062400 723.6270 2038.5116 1962.3458 114.8349 -206428.7284 17741.0492 0.0000 0.0000 34001.0835 -149847.2766 296.9399 -183848.3601 -149740.5666 297.2127 -6.0730 21.3170 555661.2997 0.5180 0.4638 PRESSURE: 2062600 -198.64 -32.0686 16.9772 -32.0687 -7.0568 30.2987 16.9773 30.2999 155.172 GPRESSURE: 2062600 -202.512 -75.4021 9.91281 2.92399 35.0174 2.23308 39.5693 18.5798 207.912 PRESSAVG: 2062600 -10.6398 31.7744 -7.68941 31.7744 -15.0295 -42.591 -7.68939 -42.5909 -17.6262 GPRESSAVG: 2062600 -11.548 32.6702 -7.07698 32.0208 -15.1148 -42.6689 -7.9679 -43.5168 -17.2258 TIMING: 2062600 CPU: 5984.54, 0.00289688/step Wall: 5984.54, 0.00289688/step, 2.36369 hours remaining, 208.523438 MB of memory in use. ENERGY: 2062600 729.1009 2177.4764 1955.8379 121.2906 -206682.8792 17907.5321 0.0000 0.0000 34032.3786 -149759.2627 297.2132 -183791.6413 -149665.6215 297.5420 -16.8417 13.4723 557716.4849 -14.4318 -14.6295 PRESSURE: 2062800 -136.356 25.3552 -27.6171 25.3547 218.055 -75.4896 -27.6178 -75.4893 185.929 GPRESSURE: 2062800 -109.869 -9.85709 -2.71357 29.4752 216.857 -44.5335 8.03137 -123.733 256.642 PRESSAVG: 2062800 -72.5429 -8.66057 39.8099 -8.66057 -1.44426 -49.0217 39.8099 -49.0217 65.652 GPRESSAVG: 2062800 -72.0189 -7.36139 39.4001 -8.82441 -2.04535 -49.7231 39.9512 -47.5688 66.22 TIMING: 2062800 CPU: 5985.12, 0.00287772/step Wall: 5985.12, 0.00287772/step, 2.3479 hours remaining, 208.523438 MB of memory in use. ENERGY: 2062800 753.2416 2127.2078 1945.7944 121.2112 -206744.7359 18050.1340 0.0000 0.0000 33986.4829 -149760.6639 296.8124 -183747.1468 -149665.0475 297.4145 89.2094 121.2100 556294.7089 -2.7784 -2.6148 PRESSURE: 2063000 -21.6076 -48.0019 203.895 -48.0006 -85.4658 -3.60595 203.894 -3.60598 177.597 GPRESSURE: 2063000 11.4093 34.317 114.916 35.2446 -98.6832 -22.9292 167.159 94.3719 234.114 PRESSAVG: 2063000 -36.5352 -26.2724 4.66757 -26.2725 42.0785 -60.8763 4.66759 -60.8763 12.3406 GPRESSAVG: 2063000 -36.2867 -26.0875 4.60955 -26.7236 43.0338 -61.0062 2.89705 -61.9201 11.1371 TIMING: 2063000 CPU: 5985.69, 0.00286783/step Wall: 5985.69, 0.00286783/step, 2.33967 hours remaining, 208.523438 MB of memory in use. ENERGY: 2063000 741.9896 2108.3163 2015.1541 130.5583 -206695.4132 18024.5635 0.0000 0.0000 33975.0222 -149699.8091 296.7123 -183674.8314 -149594.6844 297.2118 23.5080 48.9466 556310.8980 5.9613 5.9614 PRESSURE: 2063200 -77.1892 -175.09 -54.8046 -175.09 -155.998 136.594 -54.8044 136.593 -89.7133 GPRESSURE: 2063200 -113.837 -195.696 -57.9285 -106.989 -55.6913 191.137 -103.079 130.799 -53.4974 PRESSAVG: 2063200 -86.0084 -30.267 -7.31005 -30.2671 54.0315 13.5064 -7.31007 13.5064 27.5731 GPRESSAVG: 2063200 -86.6127 -30.9681 -7.60133 -29.743 54.2349 12.3445 -5.17266 14.7672 27.8105 TIMING: 2063200 CPU: 5986.26, 0.00287309/step Wall: 5986.26, 0.00287309/step, 2.3438 hours remaining, 208.523438 MB of memory in use. ENERGY: 2063200 734.4561 2131.0412 1993.2508 121.2071 -206400.4927 17724.8005 0.0000 0.0000 34091.0371 -149604.7000 297.7255 -183695.7371 -149506.2200 297.7582 -107.6336 -74.3420 557190.1991 -1.4679 -1.5224 PRESSURE: 2063400 -332.497 -48.7181 181.019 -48.7182 -20.53 -192.648 181.02 -192.648 -127.782 GPRESSURE: 2063400 -307.716 -72.6808 99.2201 -8.87884 2.99272 -115.534 157.164 -208.299 -90.674 PRESSAVG: 2063400 -4.80249 -87.2439 49.9568 -87.2439 -42.9425 -71.8876 49.9568 -71.8876 11.7534 GPRESSAVG: 2063400 -4.74016 -85.9964 48.5474 -86.5526 -42.4563 -71.4108 50.9498 -72.2501 11.07 TIMING: 2063400 CPU: 5986.84, 0.0028624/step Wall: 5986.84, 0.0028624/step, 2.33492 hours remaining, 208.523438 MB of memory in use. ENERGY: 2063400 747.2783 2154.2233 1978.5030 108.4512 -206326.7483 17683.8121 0.0000 0.0000 34182.4507 -149472.0297 298.5238 -183654.4804 -149383.8356 298.5653 -160.2696 -131.7991 556344.5018 -11.9972 -12.0422 PRESSURE: 2063600 -67.765 -48.3 -115.51 -48.2997 -139.158 16.3186 -115.509 16.3187 -75.0669 GPRESSURE: 2063600 -33.9806 -27.9151 -91.9667 -86.8199 -16.2157 28.3803 -186.02 84.6193 -121.797 PRESSAVG: 2063600 -2.37565 -48.0264 -33.1989 -48.0263 -13.2905 2.18825 -33.1989 2.18824 9.91656 GPRESSAVG: 2063600 -2.41929 -48.7512 -31.9196 -48.2739 -14.2511 3.46506 -34.6113 1.89748 10.4807 TIMING: 2063600 CPU: 5987.41, 0.00287633/step Wall: 5987.41, 0.00287633/step, 2.34613 hours remaining, 208.523438 MB of memory in use. ENERGY: 2063600 771.9561 2065.3441 1974.0682 119.8712 -206665.4172 18037.3231 0.0000 0.0000 34189.0836 -149507.7710 298.5818 -183696.8545 -149411.5267 299.0666 -93.9965 -57.3313 557666.2543 -1.9165 -2.0632 PRESSURE: 2063800 -177.71 48.3896 -65.3847 48.3917 233.855 34.8999 -65.3851 34.8999 -85.031 GPRESSURE: 2063800 -149.277 42.8864 2.56518 19.0109 244.774 -34.9413 -58.5272 129.656 -36.2851 PRESSAVG: 2063800 -53.1116 -26.6761 -43.8252 -26.6761 13.047 6.38109 -43.8252 6.3811 6.63845 GPRESSAVG: 2063800 -53.0694 -24.7632 -42.4804 -28.1147 12.8382 5.43809 -42.5567 7.43529 6.86684 TIMING: 2063800 CPU: 5987.99, 0.00287358/step Wall: 5987.99, 0.00287358/step, 2.34372 hours remaining, 208.523438 MB of memory in use. ENERGY: 2063800 748.3214 2075.4935 1993.2645 102.3205 -206713.7891 17961.5745 0.0000 0.0000 34418.1329 -149414.6819 300.5821 -183832.8148 -149317.2124 298.5108 -9.6288 19.7371 557182.3978 -11.1420 -11.1215 PRESSURE: 2064000 -248.312 50.1978 90.8654 50.1979 52.1067 174.78 90.8647 174.781 10.7716 GPRESSURE: 2064000 -187.266 -4.69274 69.5115 150.818 89.8075 130.653 62.0574 112.594 19.3445 PRESSAVG: 2064000 -42.1638 -12.1625 -46.4255 -12.1625 24.2887 32.6902 -46.4256 32.6903 -5.69385 GPRESSAVG: 2064000 -42.2459 -14.1346 -46.4872 -10.3109 24.2918 30.8742 -46.8261 31.6446 -5.38194 TIMING: 2064000 CPU: 5988.56, 0.00288139/step Wall: 5988.56, 0.00288139/step, 2.34994 hours remaining, 208.523438 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: 2064000 732.7461 2133.4712 1964.1069 121.2742 -206282.9788 17761.4316 0.0000 0.0000 34211.0140 -149358.9349 298.7733 -183569.9489 -149259.5278 298.4220 -61.8112 -26.0380 557550.1092 -7.8563 -7.7787 PRESSURE: 2064200 -94.385 84.0793 17.2761 84.0797 269.917 -161.116 17.2773 -161.114 5.76476 GPRESSURE: 2064200 -2.63418 93.1847 22.3932 60.0642 300.212 -92.6617 -41.3655 -134.799 -3.13341 PRESSAVG: 2064200 -26.122 -18.2545 -18.9389 -18.2544 9.30584 -35.4722 -18.9389 -35.4722 -6.03435 GPRESSAVG: 2064200 -26.5065 -18.138 -19.0224 -18.987 10.2269 -32.5471 -18.0485 -35.3463 -6.25539 TIMING: 2064200 CPU: 5989.14, 0.00289217/step Wall: 5989.14, 0.00289217/step, 2.35856 hours remaining, 208.523438 MB of memory in use. ENERGY: 2064200 724.8459 2179.0200 1948.4730 110.3871 -206682.3146 17881.2397 0.0000 0.0000 34604.6335 -149233.7154 302.2109 -183838.3489 -149135.2811 299.3202 60.4324 98.1480 556782.2967 -7.6169 -7.5117 LDB: ============= START OF LOAD BALANCING ============== 5992.61 LDB: ============== END OF LOAD BALANCING =============== 5992.61 LDB: =============== DONE WITH MIGRATION ================ 5992.61 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 5992.9 LDB: Largest compute 4821 load 0.029472 is 25.0% of average load 0.117755 LDB: Average compute 0.001724 is 1.5% of average load 0.117755 LDB: TIME 5992.9 LOAD: AVG 0.117755 MAX 0.178519 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 5992.9 LOAD: AVG 0.117755 MAX 0.178519 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: TIME 5992.9 LOAD: AVG 0.117755 MAX 0.178519 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.113 MB LDB: ============== END OF LOAD BALANCING =============== 5992.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5992.91 PRESSURE: 2064400 -213.405 -17.9433 -48.1833 -17.9437 -236.084 -27.226 -48.1831 -27.2259 74.1739 GPRESSURE: 2064400 -189.179 -38.791 -40.0044 -80.623 -225.306 -46.6416 -81.482 -31.7777 121.723 PRESSAVG: 2064400 -7.74841 74.1779 -30.1933 74.178 16.7611 -15.1362 -30.1932 -15.1362 -36.6754 GPRESSAVG: 2064400 -6.81959 73.8836 -30.8221 75.173 16.0275 -17.3522 -31.9309 -15.6481 -36.7633 TIMING: 2064400 CPU: 5989.73, 0.00295449/step Wall: 5989.73, 0.0029545/step, 2.40923 hours remaining, 207.472656 MB of memory in use. ENERGY: 2064400 754.0942 2111.5921 1969.8981 100.4144 -205869.5429 17594.8557 0.0000 0.0000 34258.9638 -149079.7246 299.1921 -183338.6885 -148980.3154 299.4703 -125.1049 -97.5876 559109.1506 -9.2209 -9.1851 PRESSURE: 2064600 -146.831 -32.6855 -166.223 -32.685 3.37727 -119.335 -166.223 -119.334 -140.232 GPRESSURE: 2064600 -110.738 -87.5877 -127.424 -1.57225 30.9655 -58.3195 -142.386 -74.9407 -113.645 PRESSAVG: 2064600 16.8169 -2.87373 -65.9245 -2.87369 -18.408 15.8411 -65.9245 15.8411 0.378929 GPRESSAVG: 2064600 16.6464 -2.97593 -64.9955 -1.4351 -18.5832 17.1124 -65.1553 15.4724 0.216646 TIMING: 2064600 CPU: 5990.31, 0.00288567/step Wall: 5990.31, 0.00288567/step, 2.35294 hours remaining, 207.617188 MB of memory in use. ENERGY: 2064600 775.3834 2090.1672 1959.2789 113.9012 -206310.7762 17857.8925 0.0000 0.0000 34320.3667 -149193.7862 299.7283 -183514.1529 -149095.2871 299.7249 -94.5618 -64.4725 558722.3588 -0.4041 -0.5734 PRESSURE: 2064800 93.6801 8.47723 40.8202 8.47675 -19.3479 69.9835 40.8213 69.9838 -75.6906 GPRESSURE: 2064800 135.47 88.6766 -103.095 19.2329 15.6773 24.3715 59.1373 -0.736117 -57.1901 PRESSAVG: 2064800 9.24122 68.9161 -11.5282 68.9161 39.9275 3.20592 -11.5283 3.20585 -51.0899 GPRESSAVG: 2064800 7.79528 68.2444 -12.137 68.0329 40.2948 2.25543 -11.8172 5.13878 -50.8564 TIMING: 2064800 CPU: 5990.89, 0.00288079/step Wall: 5990.89, 0.00288079/step, 2.3488 hours remaining, 207.617188 MB of memory in use. ENERGY: 2064800 732.9923 2135.1102 1940.7928 120.7786 -206388.5537 17928.4707 0.0000 0.0000 34265.3194 -149265.0896 299.2476 -183530.4090 -149165.2022 299.4609 -0.4528 31.3192 558076.0637 -0.6404 -0.9221 PRESSURE: 2065000 -15.4703 84.963 -77.2088 84.962 -102.76 65.5741 -77.2087 65.5738 -130.802 GPRESSURE: 2065000 60.0413 87.9123 42.3454 124.663 -143.489 93.2374 -86.8502 67.1335 -73.6178 PRESSAVG: 2065000 43.8428 -4.98228 -2.85985 -4.9823 1.45656 30.3731 -2.85989 30.3731 -22.5884 GPRESSAVG: 2065000 44.7248 -2.55401 -1.30595 -6.76883 0.429599 29.3794 -0.763358 30.2755 -22.5031 TIMING: 2065000 CPU: 5991.46, 0.00287679/step Wall: 5991.46, 0.00287679/step, 2.34538 hours remaining, 207.617188 MB of memory in use. ENERGY: 2065000 731.4410 2105.6613 1963.6210 115.1914 -206141.1892 17701.7799 0.0000 0.0000 34229.8089 -149293.6857 298.9374 -183523.4946 -149197.3956 298.8428 -83.0106 -52.3553 559003.6795 7.5703 7.5504 PRESSURE: 2065200 38.4325 35.6678 118.257 35.6674 421.999 -126.155 118.256 -126.156 210.321 GPRESSURE: 2065200 69.0646 28.6864 134.527 39.4707 403.605 -165.58 103.31 -87.2503 280.701 PRESSAVG: 2065200 -18.2387 -27.245 -9.78035 -27.245 12.6497 4.89176 -9.78039 4.89187 8.98496 GPRESSAVG: 2065200 -18.1166 -28.0165 -11.2609 -26.1975 13.2794 6.56019 -12.5822 3.03779 8.03223 TIMING: 2065200 CPU: 5992.04, 0.00288454/step Wall: 5992.04, 0.00288454/step, 2.35154 hours remaining, 207.617188 MB of memory in use. ENERGY: 2065200 766.8690 2074.7308 1948.4440 119.1858 -206772.4433 18190.9281 0.0000 0.0000 34314.3311 -149357.9545 299.6756 -183672.2856 -149260.8533 299.0431 223.5841 251.1236 557544.2376 1.1320 1.0650 PRESSURE: 2065400 53.3891 -221.27 116.784 -221.271 -310.715 104.634 116.784 104.635 -27.4857 GPRESSURE: 2065400 42.5398 -231.496 140.828 -145.587 -240.681 176.634 67.7726 36.5538 8.94102 PRESSAVG: 2065400 35.1314 -46.1898 11.9261 -46.1897 -2.73884 32.791 11.9261 32.7911 20.4455 GPRESSAVG: 2065400 34.3461 -46.9932 12.7033 -44.5467 -1.72189 32.2074 11.1067 31.8298 20.2252 TIMING: 2065400 CPU: 5992.61, 0.00287937/step Wall: 5992.61, 0.00287937/step, 2.34716 hours remaining, 207.781250 MB of memory in use. ENERGY: 2065400 787.1657 2153.8324 1928.8462 124.3884 -206425.9909 17861.3570 0.0000 0.0000 34173.6984 -149396.7027 298.4474 -183570.4012 -149303.7651 298.7246 -94.9371 -63.0668 557635.2509 17.6127 17.6165 PRESSURE: 2065600 333.244 182.596 -78.1082 182.598 14.5538 204.378 -78.1074 204.378 -102.766 GPRESSURE: 2065600 323.537 196.507 -65.2012 155.724 110.447 193.556 -53.8201 218.663 -82.5587 PRESSAVG: 2065600 59.4993 16.2588 18.5307 16.2587 -47.2214 32.0289 18.5306 32.0289 -4.17824 GPRESSAVG: 2065600 59.6399 17.3848 18.5116 13.4031 -49.566 32.6576 19.2889 33.6208 -1.87875 TIMING: 2065600 CPU: 5993.19, 0.00288826/step Wall: 5993.19, 0.00288826/step, 2.35425 hours remaining, 207.781250 MB of memory in use. ENERGY: 2065600 765.0816 2111.6990 1935.3090 110.7937 -206424.8447 18021.2340 0.0000 0.0000 34036.4172 -149444.3103 297.2485 -183480.7275 -149354.1559 298.5666 81.6772 117.1417 557773.0115 2.6999 2.7317 PRESSURE: 2065800 99.6924 53.3409 -106.426 53.3412 155.306 -150.06 -106.426 -150.061 353.996 GPRESSURE: 2065800 123.502 10.0263 -160.669 84.8862 166.015 -143.349 -41.1292 -75.4334 401.961 PRESSAVG: 2065800 33.7391 40.6141 -10.5588 40.6142 -94.9591 8.8138 -10.5588 8.81381 4.95996 GPRESSAVG: 2065800 34.4161 39.5605 -10.6855 44.5985 -93.7633 7.33697 -9.93806 9.30322 2.65282 TIMING: 2065800 CPU: 5993.77, 0.00288963/step Wall: 5993.77, 0.00288963/step, 2.35521 hours remaining, 207.781250 MB of memory in use. ENERGY: 2065800 730.2392 2128.6622 1927.9121 114.1277 -206645.9236 18144.3339 0.0000 0.0000 34056.4577 -149544.1908 297.4235 -183600.6485 -149442.4757 297.7659 202.9980 230.4929 556410.2342 -18.7534 -18.8981 PRESSURE: 2066000 -127.971 143.451 41.0297 143.452 -98.586 16.2391 41.0299 16.2396 -31.9265 GPRESSURE: 2066000 -69.4993 19.6914 -28.3777 157.432 -80.2475 31.2055 63.9908 57.3314 -15.4627 PRESSAVG: 2066000 43.7653 9.46509 -12.6595 9.46498 0.87354 30.2322 -12.6594 30.2322 3.53283 GPRESSAVG: 2066000 42.5201 9.2388 -15.4882 7.27471 1.01425 32.6995 -13.0718 29.7705 4.63661 TIMING: 2066000 CPU: 5994.35, 0.0028823/step Wall: 5994.35, 0.0028823/step, 2.34908 hours remaining, 207.957031 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: 2066000 745.1894 2122.9110 1937.7548 113.7150 -206347.2033 17825.7340 0.0000 0.0000 34154.1564 -149447.7427 298.2767 -183601.8991 -149349.0384 298.5019 -86.1610 -55.0698 557076.7781 16.0572 16.0570 PRESSURE: 2066200 -208.519 -94.9545 74.6256 -94.9544 139.759 -64.286 74.6248 -64.2863 -271.511 GPRESSURE: 2066200 -179.624 -8.51188 -22.7917 -134.791 190.461 -73.14 109.341 2.4353 -248.543 PRESSAVG: 2066200 9.73294 -4.32823 19.3395 -4.32816 -10.7829 9.0163 19.3395 9.01634 -23.5938 GPRESSAVG: 2066200 10.326 -4.47996 21.7556 -2.86912 -11.7412 9.82515 17.7672 5.74998 -23.0355 TIMING: 2066200 CPU: 5994.92, 0.00288246/step Wall: 5994.92, 0.00288246/step, 2.34904 hours remaining, 207.957031 MB of memory in use. ENERGY: 2066200 722.2572 2136.3027 1915.3526 119.8891 -206133.9959 17763.0463 0.0000 0.0000 34022.9822 -149454.1657 297.1312 -183477.1479 -149362.1320 298.1435 -113.4234 -79.2350 557847.6999 -8.2146 -8.1502 PRESSURE: 2066400 6.93645 -62.0825 130.664 -62.0828 -2.31521 64.0102 130.664 64.0099 -291.973 GPRESSURE: 2066400 13.1342 45.2236 122.462 -63.0108 48.4031 -1.90447 176.519 119.51 -249.827 PRESSAVG: 2066400 -62.0819 -16.5826 -14.3187 -16.5827 -7.75734 -31.7764 -14.3187 -31.7764 23.5439 GPRESSAVG: 2066400 -62.3776 -14.7675 -14.6811 -17.3845 -5.79073 -33.013 -12.9791 -28.6162 22.2346 TIMING: 2066400 CPU: 5995.5, 0.0028792/step Wall: 5995.5, 0.0028792/step, 2.34623 hours remaining, 207.957031 MB of memory in use. ENERGY: 2066400 720.2385 2123.5228 1959.0283 107.7975 -206306.7642 17715.3674 0.0000 0.0000 34248.7040 -149432.1057 299.1025 -183680.8097 -149335.9404 298.3590 -95.7838 -62.7631 558909.0568 -15.4318 -15.3113 PRESSURE: 2066600 -12.3998 -174.147 -27.6458 -174.146 1.56963 -152.723 -27.6466 -152.721 -235.063 GPRESSURE: 2066600 42.4014 -139.017 -5.70798 -114.012 -16.0561 -113.581 -36.017 -131.018 -181.324 PRESSAVG: 2066600 19.6456 -51.3335 14.64 -51.3335 -9.33213 11.7483 14.64 11.7481 -27.0996 GPRESSAVG: 2066600 19.2267 -51.3513 14.2759 -51.5723 -9.29366 9.93659 16.2675 12.7843 -26.3806 TIMING: 2066600 CPU: 5996.07, 0.00287633/step Wall: 5996.07, 0.00287633/step, 2.34373 hours remaining, 207.957031 MB of memory in use. ENERGY: 2066600 680.0477 2082.9501 1969.7276 116.4540 -205928.6605 17695.8144 0.0000 0.0000 34160.5946 -149223.0721 298.3330 -183383.6668 -149126.6404 299.3756 -81.9645 -51.6596 560100.6521 -5.5954 -5.4825 PRESSURE: 2066800 0.101787 -23.7959 -16.3041 -23.7966 362.092 32.9714 -16.3036 32.9721 -104.856 GPRESSURE: 2066800 -3.01609 -68.2357 -23.3193 -18.9612 436.648 66.1167 -6.68685 38.2711 -64.9075 PRESSAVG: 2066800 46.5692 -77.3818 -43.5677 -77.3819 12.5627 -45.4601 -43.5677 -45.4601 -49.7101 GPRESSAVG: 2066800 48.4502 -78.2697 -41.8167 -74.7631 11.2116 -44.2059 -43.985 -45.8696 -50.0695 TIMING: 2066800 CPU: 5996.65, 0.00289092/step Wall: 5996.65, 0.00289092/step, 2.35546 hours remaining, 207.957031 MB of memory in use. ENERGY: 2066800 754.7300 2123.3569 1961.6470 108.1039 -206275.1928 17962.8805 0.0000 0.0000 34330.2896 -149034.1849 299.8150 -183364.4745 -148936.5702 299.4176 85.7792 122.9082 557992.8963 3.1406 3.1974 PRESSURE: 2067000 -177.653 -122.942 45.7214 -122.941 -91.2371 137.419 45.7199 137.419 -128.646 GPRESSURE: 2067000 -161.461 -174.204 63.4422 -142.581 -54.0503 114.581 171.653 82.6694 -93.6982 PRESSAVG: 2067000 6.27458 -35.8781 14.6707 -35.878 51.9287 45.7818 14.6706 45.7818 -53.3069 GPRESSAVG: 2067000 6.3183 -34.8687 15.1328 -38.2306 52.8348 46.1445 14.2165 45.9393 -53.8296 TIMING: 2067000 CPU: 5997.23, 0.00289045/step Wall: 5997.23, 0.00289045/step, 2.35491 hours remaining, 207.957031 MB of memory in use. ENERGY: 2067000 730.8276 2137.2443 1950.3441 117.1856 -205688.0907 17512.9733 0.0000 0.0000 34368.2407 -148871.2751 300.1464 -183239.5158 -148770.6661 299.8989 -132.5120 -103.0697 558447.8139 1.6321 1.7745 PRESSURE: 2067200 -354.981 -32.8827 71.7924 -32.8829 -139.257 98.5634 71.7926 98.5638 -147.114 GPRESSURE: 2067200 -295.069 -17.3846 128.134 -105.523 -134.593 -9.45589 59.0454 94.2887 -126.893 PRESSAVG: 2067200 31.5311 -47.5838 -37.178 -47.5838 6.9555 40.896 -37.178 40.896 -33.0485 GPRESSAVG: 2067200 31.5055 -47.1866 -39.5156 -46.5279 6.48915 41.5116 -37.5562 39.7688 -32.4707 TIMING: 2067200 CPU: 5997.81, 0.00289742/step Wall: 5997.81, 0.00289742/step, 2.36043 hours remaining, 207.957031 MB of memory in use. ENERGY: 2067200 734.7057 2040.9608 1966.1087 118.1742 -205473.4097 17314.0043 0.0000 0.0000 34177.1565 -149122.2995 298.4776 -183299.4560 -149028.2554 300.1776 -213.7843 -185.5183 557670.5726 1.8127 1.8413 PRESSURE: 2067400 -28.9092 73.68 -105.944 73.6806 -93.088 109.227 -105.945 109.229 -3.16539 GPRESSURE: 2067400 -9.57353 -4.84189 -59.232 22.1442 -76.745 70.1501 -187.028 89.3204 69.2508 PRESSAVG: 2067400 8.81663 -67.8241 3.85486 -67.8241 -1.43462 -22.5791 3.8548 -22.5791 -26.0269 GPRESSAVG: 2067400 8.13961 -69.8533 3.13267 -67.8454 -0.949982 -23.2085 5.05393 -23.5999 -26.3996 TIMING: 2067400 CPU: 5998.39, 0.00290229/step Wall: 5998.39, 0.00290229/step, 2.36424 hours remaining, 207.957031 MB of memory in use. ENERGY: 2067400 755.0060 2087.5163 1958.4123 118.4775 -205881.4810 17696.4180 0.0000 0.0000 34051.4930 -149214.1580 297.3802 -183265.6509 -149118.7881 298.7411 -41.7209 -5.6893 557930.9520 -6.2150 -6.4033 PRESSURE: 2067600 -87.7493 37.5029 59.9337 37.5038 324.775 -66.8378 59.9341 -66.8385 22.9036 GPRESSURE: 2067600 -11.5914 -4.64758 11.8253 111.207 252.432 -4.1318 51.242 -103.481 120.238 PRESSAVG: 2067600 30.7417 -31.2971 21.1755 -31.2972 -21.6009 46.2729 21.1755 46.273 -12.6486 GPRESSAVG: 2067600 30.4188 -30.1024 22.1397 -32.5808 -22.4123 45.6037 20.2477 47.2019 -11.5617 TIMING: 2067600 CPU: 5998.96, 0.0028712/step Wall: 5998.96, 0.0028712/step, 2.33875 hours remaining, 207.957031 MB of memory in use. ENERGY: 2067600 743.7875 2076.0159 1960.9788 112.0107 -206598.9996 18072.1633 0.0000 0.0000 34416.3830 -149217.6603 300.5668 -183634.0433 -149123.5617 299.1167 86.6430 120.3597 557070.7482 -1.1693 -1.1851 PRESSURE: 2067800 -138.515 20.0203 60.7646 20.0202 129.023 -65.2685 60.7653 -65.2674 68.585 GPRESSURE: 2067800 -82.4757 25.9932 69.2664 -13.2719 145.478 -42.1448 67.9255 1.73954 95.6267 PRESSAVG: 2067800 30.1079 -67.2803 -4.35026 -67.2804 -28.3124 45.903 -4.35033 45.9031 -44.9529 GPRESSAVG: 2067800 30.6713 -68.1292 -4.88336 -66.612 -29.0068 46.922 -4.89589 42.5035 -45.2502 TIMING: 2067800 CPU: 5999.54, 0.00289561/step Wall: 5999.54, 0.00289561/step, 2.35847 hours remaining, 207.957031 MB of memory in use. ENERGY: 2067800 739.1342 2079.7309 1969.7556 107.7381 -206134.9534 17794.8780 0.0000 0.0000 34321.0671 -149122.6493 299.7344 -183443.7164 -149014.2866 299.2082 19.6975 52.8764 556757.5947 -14.3858 -14.5285 PRESSURE: 2068000 253.16 31.255 -168.449 31.2578 144.39 80.785 -168.449 80.785 37.5087 GPRESSURE: 2068000 263.937 11.8844 3.06992 56.6057 144.709 70.4204 -166.622 71.8554 139.004 PRESSAVG: 2068000 -59.1319 -9.29152 25.5397 -9.29142 32.4074 -9.61677 25.5397 -9.61672 36.4889 GPRESSAVG: 2068000 -59.8537 -7.97263 28.3056 -10.3837 33.0571 -10.6823 24.9696 -7.95136 36.4191 TIMING: 2068000 CPU: 6000.12, 0.00289183/step Wall: 6000.12, 0.00289183/step, 2.35524 hours remaining, 207.957031 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: 2068000 727.2457 2104.9159 1944.4101 109.1983 -206079.9251 17822.6476 0.0000 0.0000 34405.1592 -148966.3484 300.4688 -183371.5076 -148871.4900 300.2087 145.0198 182.5502 557508.1822 3.2548 3.2075 PRESSURE: 2068200 -258.183 -153.405 90.073 -153.406 -272.207 -88.0149 90.0727 -88.0168 -194.155 GPRESSURE: 2068200 -215.105 -118.722 31.2853 -179.349 -206.281 -48.808 42.6015 -80.1248 -218.551 PRESSAVG: 2068200 31.7303 -33.3448 -4.19651 -33.3448 -45.6635 4.23775 -4.1966 4.23774 30.1025 GPRESSAVG: 2068200 31.8478 -34.5059 -6.28382 -32.2685 -45.2268 4.33693 -2.62662 4.74325 29.827 TIMING: 2068200 CPU: 6000.7, 0.00291754/step Wall: 6000.7, 0.00291754/step, 2.37601 hours remaining, 207.957031 MB of memory in use. ENERGY: 2068200 759.5466 2135.7528 1954.2469 105.4016 -205743.2941 17329.9659 0.0000 0.0000 34356.7417 -149101.6386 300.0460 -183458.3803 -148999.7688 299.3306 -241.5151 -213.3122 559346.0378 5.3898 5.4827 LDB: ============= START OF LOAD BALANCING ============== 6004.17 LDB: ============== END OF LOAD BALANCING =============== 6004.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6004.17 LDB: ============= START OF LOAD BALANCING ============== 6004.46 LDB: Largest compute 4821 load 0.028842 is 24.5% of average load 0.117758 LDB: Average compute 0.001723 is 1.5% of average load 0.117758 LDB: TIME 6004.46 LOAD: AVG 0.117758 MAX 0.177698 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 6004.46 LOAD: AVG 0.117758 MAX 0.177698 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: TIME 6004.46 LOAD: AVG 0.117758 MAX 0.177698 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: ============== END OF LOAD BALANCING =============== 6004.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6004.47 PRESSURE: 2068400 -343.657 -54.9094 150.065 -54.9097 21.6942 -79.6346 150.066 -79.6337 -59.8694 GPRESSURE: 2068400 -262.324 17.9721 73.0255 -99.4348 30.7854 -5.26283 167.783 -78.3281 -52.6204 PRESSAVG: 2068400 21.272 -71.6548 1.82528 -71.6548 30.3062 51.3633 1.82527 51.3633 -41.8093 GPRESSAVG: 2068400 20.8954 -72.9217 0.793728 -73.4911 31.3803 52.9774 1.36739 49.9129 -42.4167 TIMING: 2068400 CPU: 6001.29, 0.00293113/step Wall: 6001.29, 0.00293113/step, 2.38692 hours remaining, 205.929688 MB of memory in use. ENERGY: 2068400 731.8607 2138.4017 1962.2176 123.6208 -205969.1158 17586.0388 0.0000 0.0000 34367.2324 -149059.7438 300.1376 -183426.9762 -148957.5757 299.3587 -127.2775 -94.7197 558753.8428 3.2563 3.2863 PRESSURE: 2068600 -100.214 7.46594 -3.72308 7.46623 8.08508 -37.0778 -3.72335 -37.077 -16.8519 GPRESSURE: 2068600 -134.558 -9.81633 -30.132 -76.9723 83.1238 -48.8632 20.1226 -39.146 31.1855 PRESSAVG: 2068600 11.6642 -35.9677 -10.2138 -35.9676 -17.8371 -34.3614 -10.2138 -34.3615 -6.16101 GPRESSAVG: 2068600 11.999 -35.2485 -9.41935 -35.6727 -20.0829 -35.9059 -10.6252 -30.9208 -4.15684 TIMING: 2068600 CPU: 6001.87, 0.0029172/step Wall: 6001.87, 0.0029172/step, 2.37541 hours remaining, 206.132812 MB of memory in use. ENERGY: 2068600 730.0521 2088.6021 1960.3890 135.2502 -206067.2601 17625.1572 0.0000 0.0000 34353.6739 -149174.1357 300.0192 -183527.8096 -149073.9445 299.4609 -36.3269 -6.7496 557189.4491 -4.1113 -4.0803 PRESSURE: 2068800 -207.21 18.6927 -190.016 18.6935 148.3 40.4835 -190.017 40.4819 -168.581 GPRESSURE: 2068800 -187.346 -27.8359 -145.907 43.2417 134.537 79.0515 -182.642 -14.9523 -89.2486 PRESSAVG: 2068800 38.6057 1.50402 -15.8904 1.50397 -10.807 -26.7453 -15.8905 -26.7454 -16.5256 GPRESSAVG: 2068800 38.4075 1.50907 -14.7706 2.12189 -10.1822 -26.7625 -16.2041 -28.1252 -17.8248 TIMING: 2068800 CPU: 6002.45, 0.00287717/step Wall: 6002.45, 0.00287717/step, 2.34265 hours remaining, 206.132812 MB of memory in use. ENERGY: 2068800 747.4954 2162.6017 1946.6890 119.2833 -206155.4169 17886.1788 0.0000 0.0000 34292.9313 -149000.2373 299.4887 -183293.1686 -148909.4636 300.2483 -75.8301 -47.3526 559315.4544 3.7577 3.4668 PRESSURE: 2069000 -250.408 -89.8884 100.568 -89.8868 230.457 151.176 100.568 151.178 -353.191 GPRESSURE: 2069000 -181.365 -116.171 106.015 -28.8857 206.393 229.578 -8.33502 85.7462 -298.709 PRESSAVG: 2069000 32.8215 -0.0815797 30.8166 -0.0815565 -11.8337 3.8817 30.8165 3.88181 -54.0721 GPRESSAVG: 2069000 32.9799 -0.555832 27.6282 1.08408 -11.5581 4.10946 33.186 2.71669 -54.3645 TIMING: 2069000 CPU: 6003.03, 0.00288575/step Wall: 6003.03, 0.00288575/step, 2.34948 hours remaining, 206.132812 MB of memory in use. ENERGY: 2069000 751.4829 2113.9355 1969.8659 118.4769 -206203.9667 17753.3397 0.0000 0.0000 34317.5553 -149179.3105 299.7037 -183496.8658 -149090.0160 299.5754 -124.3807 -91.2270 557056.3003 -11.0281 -10.9809 PRESSURE: 2069200 -168.43 -83.2799 97.389 -83.2806 -94.9157 -137.802 97.3913 -137.801 -99.5836 GPRESSURE: 2069200 -177.884 -29.3195 81.0404 -63.6757 -14.0419 -143.311 146.364 -121.174 -84.4562 PRESSAVG: 2069200 18.1326 -40.4099 18.2454 -40.41 12.1254 -21.1287 18.2454 -21.1288 -1.76388 GPRESSAVG: 2069200 16.6291 -39.6149 19.2222 -40.3041 12.059 -21.3709 17.2064 -19.971 -0.485439 TIMING: 2069200 CPU: 6003.6, 0.00287684/step Wall: 6003.6, 0.00287684/step, 2.34207 hours remaining, 206.203125 MB of memory in use. ENERGY: 2069200 776.1600 2095.1534 1963.0173 136.0348 -205947.8692 17502.4524 0.0000 0.0000 34303.1229 -149171.9284 299.5777 -183475.0513 -149072.0641 300.0258 -120.9764 -92.1275 556669.8326 9.4980 9.4009 PRESSURE: 2069400 -205.662 46.6692 108.547 46.6685 80.8254 -33.9577 108.546 -33.9594 265.588 GPRESSURE: 2069400 -205.99 77.1006 185.581 90.3239 83.2126 4.18567 109.766 -45.568 356.867 PRESSAVG: 2069400 -54.3471 -38.801 19.5024 -38.801 45.7639 -60.1345 19.5025 -60.1346 2.70964 GPRESSAVG: 2069400 -52.757 -40.1247 19.0488 -39.7301 46.736 -60.1109 19.6691 -61.9817 0.464138 TIMING: 2069400 CPU: 6004.18, 0.0028878/step Wall: 6004.18, 0.0028878/step, 2.35083 hours remaining, 206.203125 MB of memory in use. ENERGY: 2069400 727.5367 2132.5465 1964.5838 112.6277 -206677.6934 17990.5148 0.0000 0.0000 34306.9272 -149442.9567 299.6109 -183749.8838 -149351.2747 299.7352 46.9171 78.0301 555992.2241 -1.9578 -1.8523 PRESSURE: 2069600 114.87 51.7196 -64.7467 51.7194 61.4454 62.7688 -64.7459 62.7685 55.0553 GPRESSURE: 2069600 153.782 56.4804 -6.45734 11.5363 114.079 26.3904 24.0499 116.906 74.1082 PRESSAVG: 2069600 41.3975 -58.352 46.3833 -58.3522 36.8524 -17.9716 46.3833 -17.9716 7.41372 GPRESSAVG: 2069600 42.1306 -59.5652 49.0033 -55.9875 34.6469 -19.3935 46.4658 -14.5156 8.72844 TIMING: 2069600 CPU: 6004.76, 0.00289346/step Wall: 6004.76, 0.00289346/step, 2.35528 hours remaining, 206.203125 MB of memory in use. ENERGY: 2069600 704.7140 2103.5859 1950.6781 109.4474 -206328.2906 17892.6940 0.0000 0.0000 34169.7034 -149397.4678 298.4125 -183567.1712 -149302.5887 298.4200 77.1234 113.9898 557602.3538 28.5545 28.5020 PRESSURE: 2069800 -90.182 -67.2276 -60.0015 -67.2283 -31.128 164.628 -60.0017 164.627 -56.0175 GPRESSURE: 2069800 -86.7557 -19.6595 -90.8431 -75.6754 3.89383 202.51 -21.8055 172.989 3.7418 PRESSAVG: 2069800 79.1636 -37.0515 3.14822 -37.0515 -43.5281 44.2274 3.14824 44.2272 -43.675 GPRESSAVG: 2069800 78.4189 -35.5304 2.07908 -38.9837 -42.0307 47.4503 2.51688 42.5016 -44.5916 TIMING: 2069800 CPU: 6005.34, 0.00288753/step Wall: 6005.34, 0.00288753/step, 2.35029 hours remaining, 206.203125 MB of memory in use. ENERGY: 2069800 728.2952 2168.1971 1953.1630 107.8523 -206223.6506 17819.6468 0.0000 0.0000 34201.7089 -149244.7873 298.6920 -183446.4962 -149152.4968 298.7555 -59.1092 -26.3734 557649.3694 -2.6799 -2.7345 PRESSURE: 2070000 66.3455 -8.99576 18.7799 -8.99561 -52.3192 -246.561 18.7804 -246.56 -342.54 GPRESSURE: 2070000 103.355 -72.1693 44.3346 -6.58948 -12.2998 -225.513 98.4376 -281.494 -313.34 PRESSAVG: 2070000 31.1937 9.65171 -16.8834 9.65163 -23.5569 21.0029 -16.8834 21.003 -47.583 GPRESSAVG: 2070000 30.6294 8.7312 -16.2804 9.1241 -24.2138 18.6016 -16.9223 20.1548 -46.068 TIMING: 2070000 CPU: 6005.91, 0.00289159/step Wall: 6005.91, 0.00289159/step, 2.35344 hours remaining, 206.203125 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: 2070000 749.6177 2144.9880 1970.7498 114.7637 -206404.9386 17835.3157 0.0000 0.0000 34572.9939 -149016.5098 301.9346 -183589.5037 -148916.2830 299.5817 -109.5046 -74.0948 557920.9145 -13.3154 -13.2174 PRESSURE: 2070200 147.115 -44.9342 -119.588 -44.9347 -133.226 -79.634 -119.587 -79.6342 216.323 GPRESSURE: 2070200 171.784 -40.7433 -112.424 -82.0082 -100.105 -79.0562 -71.4983 -80.8238 260.543 PRESSAVG: 2070200 9.17563 -70.7994 -46.2173 -70.7994 -8.29062 -27.3208 -46.2173 -27.3207 14.4372 GPRESSAVG: 2070200 9.53197 -69.4878 -48.2131 -71.8576 -8.68889 -26.2126 -46.0303 -28.3692 14.3343 TIMING: 2070200 CPU: 6006.49, 0.00288177/step Wall: 6006.49, 0.00288177/step, 2.34528 hours remaining, 206.203125 MB of memory in use. ENERGY: 2070200 758.0105 2137.8688 1995.9222 116.2329 -206218.8008 17917.1495 0.0000 0.0000 34333.7155 -148959.9016 299.8449 -183293.6170 -148867.7779 299.8321 76.7373 110.7408 557531.4775 5.1074 5.0591 PRESSURE: 2070400 -92.7089 -82.5525 -110.412 -82.5528 -54.8602 -69.625 -110.413 -69.6262 -76.3048 GPRESSURE: 2070400 -94.6847 -84.9278 -62.0118 -29.1957 15.6332 25.89 -113.561 -93.3251 -60.7582 PRESSAVG: 2070400 21.0325 -22.8962 -70.6687 -22.8962 3.60993 -16.3025 -70.6688 -16.3025 -30.5384 GPRESSAVG: 2070400 21.6334 -23.5356 -69.4294 -21.8595 4.25044 -15.5249 -70.3325 -13.9219 -31.7576 TIMING: 2070400 CPU: 6007.07, 0.00288233/step Wall: 6007.07, 0.00288233/step, 2.34557 hours remaining, 206.203125 MB of memory in use. ENERGY: 2070400 795.6755 2164.2077 1984.2715 123.9487 -206064.1086 17749.7007 0.0000 0.0000 34198.2408 -149048.0637 298.6617 -183246.3045 -148956.7016 299.5032 -74.6247 -46.6032 558601.4740 -1.9653 -1.9579 PRESSURE: 2070600 -257.997 -284.152 26.5378 -284.154 -163.083 -47.5998 26.5369 -47.6005 -63.433 GPRESSURE: 2070600 -206.585 -273.952 45.915 -332.832 -117.499 -7.57117 -20.4492 -48.4194 -64.9866 PRESSAVG: 2070600 -1.71069 -34.6106 -34.8323 -34.6105 -14.245 20.2201 -34.8322 20.22 12.9078 GPRESSAVG: 2070600 -1.354 -33.8961 -35.4362 -35.7874 -13.8125 18.7968 -37.0908 19.0281 12.0255 TIMING: 2070600 CPU: 6007.64, 0.00288613/step Wall: 6007.64, 0.00288613/step, 2.3485 hours remaining, 206.203125 MB of memory in use. ENERGY: 2070600 733.4676 2111.9146 1980.4927 111.9294 -205699.3090 17430.9086 0.0000 0.0000 34424.2151 -148906.3810 300.6352 -183330.5961 -148806.1477 299.9272 -161.5043 -129.6903 558630.1736 -1.0159 -1.0470 PRESSURE: 2070800 63.4955 -83.934 92.9177 -83.9341 -101.614 -176.553 92.9172 -176.552 -261.659 GPRESSURE: 2070800 68.4508 -9.28648 101.083 -166.26 -22.3035 -180.308 56.9317 -114.853 -253.905 PRESSAVG: 2070800 -1.35316 -27.5891 -27.7197 -27.5891 47.6277 -45.2054 -27.7197 -45.2054 -0.704555 GPRESSAVG: 2070800 -2.91613 -27.0696 -26.4686 -28.1619 46.4786 -44.3227 -26.4603 -45.5139 1.15649 TIMING: 2070800 CPU: 6008.22, 0.00289848/step Wall: 6008.22, 0.00289848/step, 2.3584 hours remaining, 206.203125 MB of memory in use. ENERGY: 2070800 791.4706 2184.9457 1953.4225 107.2927 -206030.6352 17703.9085 0.0000 0.0000 34523.6919 -148765.9032 301.5040 -183289.5951 -148670.6769 300.3497 -99.9259 -69.2526 558586.5816 15.1900 14.9063 PRESSURE: 2071000 -66.0409 -12.5525 228.319 -12.5524 -32.6267 -54.6702 228.319 -54.6705 15.306 GPRESSURE: 2071000 12.8579 33.7693 178.074 19.0694 0.193287 -101.775 240.585 -12.5436 -6.07093 PRESSAVG: 2071000 -29.3413 -39.2947 18.7655 -39.2948 10.3426 -35.3315 18.7654 -35.3315 33.5898 GPRESSAVG: 2071000 -28.1751 -41.0701 18.3638 -37.4953 9.77901 -35.2869 17.658 -34.8052 32.1013 TIMING: 2071000 CPU: 6008.8, 0.00288258/step Wall: 6008.8, 0.00288258/step, 2.3453 hours remaining, 206.203125 MB of memory in use. ENERGY: 2071000 767.8783 2129.4369 1936.4720 110.1644 -205839.1097 17821.6478 0.0000 0.0000 34334.1943 -148739.3160 299.8491 -183073.5103 -148645.7445 300.2088 -27.7872 2.3268 558646.7390 4.8637 4.5684 PRESSURE: 2071200 264.811 -104.583 -4.28435 -104.583 114.938 -50.1333 -4.28443 -50.1321 -0.148068 GPRESSURE: 2071200 264.156 -44.8468 -53.7408 -60.293 153.119 -165.121 47.9077 6.39604 51.0067 PRESSAVG: 2071200 -44.8932 36.8106 17.5118 36.8106 47.4305 -17.246 17.5118 -17.246 -17.0592 GPRESSAVG: 2071200 -44.2794 38.5753 16.7945 35.0091 46.8837 -17.4929 18.1976 -17.412 -17.0851 TIMING: 2071200 CPU: 6009.37, 0.00285924/step Wall: 6009.37, 0.00285924/step, 2.32615 hours remaining, 206.203125 MB of memory in use. ENERGY: 2071200 721.5316 2145.8925 1948.1721 109.0138 -206210.5250 18031.2199 0.0000 0.0000 34401.7470 -148852.9481 300.4390 -183254.6951 -148757.0252 300.2647 126.5338 156.0940 557927.8410 -4.8406 -4.8269 PRESSURE: 2071400 -47.5289 215.857 -26.0118 215.858 -213.64 41.2467 -26.0126 41.2466 -4.66731 GPRESSURE: 2071400 1.59571 183.001 -73.1939 240.926 -152.652 30.9725 0.945603 36.1041 -21.4944 PRESSAVG: 2071400 -15.0435 28.4575 29.9866 28.4574 67.569 -39.2256 29.9867 -39.2255 10.3663 GPRESSAVG: 2071400 -17.0725 26.6379 31.7146 29.8996 69.2877 -37.0657 28.0402 -40.2923 10.5871 TIMING: 2071400 CPU: 6009.95, 0.00286917/step Wall: 6009.95, 0.00286917/step, 2.33407 hours remaining, 206.203125 MB of memory in use. ENERGY: 2071400 760.9666 2105.4348 1941.4402 108.1354 -205722.8509 17601.9482 0.0000 0.0000 34378.9763 -148825.9495 300.2402 -183204.9258 -148722.3538 300.5083 -88.6122 -57.5170 558722.3111 20.9640 20.9341 PRESSURE: 2071600 -92.5724 -38.0984 13.6534 -38.0978 4.75906 -243.908 13.6535 -243.907 -336.626 GPRESSURE: 2071600 -23.167 -82.8842 -48.7338 -3.95097 -16.2272 -359.631 40.5538 -180.342 -284.093 PRESSAVG: 2071600 15.2445 -32.9399 9.22372 -32.9398 3.13269 -48.0688 9.22381 -48.0688 3.40857 GPRESSAVG: 2071600 15.0054 -33.7083 6.31774 -33.5966 1.85075 -49.5339 10.9218 -46.0638 5.1493 TIMING: 2071600 CPU: 6010.52, 0.00287566/step Wall: 6010.52, 0.00287566/step, 2.33919 hours remaining, 206.203125 MB of memory in use. ENERGY: 2071600 764.3054 2061.5300 1943.8960 118.9766 -205828.5243 17681.4973 0.0000 0.0000 34316.2038 -148942.1153 299.6919 -183258.3191 -148839.6740 299.4975 -141.4796 -107.8291 558149.8643 7.2619 7.3351 PRESSURE: 2071800 -192.762 57.4597 160.703 57.4598 -16.6251 -111.012 160.703 -111.013 158.966 GPRESSURE: 2071800 -136.858 -12.1847 115.099 -22.1574 12.8422 -76.6384 51.6544 -147.885 172.882 PRESSAVG: 2071800 -40.4843 -28.6492 40.7112 -28.6492 -27.2843 0.973284 40.7112 0.973237 62.3762 GPRESSAVG: 2071800 -39.3267 -28.4798 41.1853 -29.3379 -27.0107 1.6186 40.1845 -0.871447 60.8489 TIMING: 2071800 CPU: 6011.1, 0.00287224/step Wall: 6011.1, 0.00287224/step, 2.33625 hours remaining, 206.203125 MB of memory in use. ENERGY: 2071800 736.3614 2088.1287 1946.8339 121.5689 -206020.9618 17858.5418 0.0000 0.0000 34310.0581 -148959.4691 299.6383 -183269.5272 -148863.0539 299.4160 -16.8070 16.2887 557258.4920 -1.7974 -1.8295 PRESSURE: 2072000 72.125 215.868 -71.0967 215.868 -306.878 64.1811 -71.0964 64.1818 -47.4508 GPRESSURE: 2072000 110.356 240.016 -82.8498 124.22 -292.558 16.9719 -90.2756 55.6751 4.18996 PRESSAVG: 2072000 -7.40415 -57.8013 3.11472 -57.8013 -59.9041 2.43424 3.1148 2.4343 76.4561 GPRESSAVG: 2072000 -7.92711 -59.0481 4.56286 -56.5765 -59.9744 1.57269 4.20287 2.87421 77.2792 TIMING: 2072000 CPU: 6011.68, 0.00290354/step Wall: 6011.68, 0.00290354/step, 2.36154 hours remaining, 206.203125 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: 2072000 725.1482 2129.9363 1963.5832 109.5322 -205467.7895 17501.2815 0.0000 0.0000 34199.0298 -148839.2783 298.6686 -183038.3081 -148749.9428 299.9561 -94.0680 -59.3373 559227.5328 3.0493 3.1259 PRESSURE: 2072200 -29.2369 -145.808 -65.6094 -145.809 -87.6899 -172.259 -65.6088 -172.258 -133.957 GPRESSURE: 2072200 38.5877 -225.444 -142.748 -56.4609 -67.8083 -233.705 -25.1639 -91.1897 -124.308 PRESSAVG: 2072200 -1.92911 28.2099 -1.30669 28.21 -70.5326 -38.2448 -1.30664 -38.2448 73.4075 GPRESSAVG: 2072200 -2.5974 27.5245 -1.4532 28.2334 -69.9101 -37.201 -2.71089 -39.4127 73.0714 TIMING: 2072200 CPU: 6012.26, 0.0029021/step Wall: 6012.26, 0.0029021/step, 2.36021 hours remaining, 206.203125 MB of memory in use. ENERGY: 2072200 731.2986 2123.8784 1958.4010 107.8866 -205766.0122 17612.7346 0.0000 0.0000 34260.3286 -148971.4843 299.2040 -183231.8129 -148882.3427 299.6353 -83.6280 -51.1761 558475.5921 0.3152 0.1880 LDB: ============= START OF LOAD BALANCING ============== 6015.72 LDB: ============== END OF LOAD BALANCING =============== 6015.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6015.72 LDB: ============= START OF LOAD BALANCING ============== 6016.01 LDB: Largest compute 4821 load 0.028870 is 24.5% of average load 0.117763 LDB: Average compute 0.001717 is 1.5% of average load 0.117763 LDB: TIME 6016.01 LOAD: AVG 0.117763 MAX 0.17827 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 6016.01 LOAD: AVG 0.117763 MAX 0.17827 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.863 MB LDB: TIME 6016.01 LOAD: AVG 0.117763 MAX 0.17827 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.863 MB LDB: ============== END OF LOAD BALANCING =============== 6016.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6016.02 PRESSURE: 2072400 -202.725 -16.5471 -18.2459 -16.5463 -269.153 82.6648 -18.2467 82.6654 -18.6087 GPRESSURE: 2072400 -143.709 36.6813 -46.4768 -26.6661 -263.585 89.6138 42.4911 92.8281 12.2095 PRESSAVG: 2072400 79.0315 -34.106 -32.3 -34.106 -86.8944 33.3836 -32.3 33.3836 3.89912 GPRESSAVG: 2072400 79.9816 -30.7178 -32.8984 -35.5776 -86.5204 31.9577 -32.2743 33.074 2.45417 TIMING: 2072400 CPU: 6012.85, 0.00294152/step Wall: 6012.85, 0.00294152/step, 2.39211 hours remaining, 206.445312 MB of memory in use. ENERGY: 2072400 716.6361 2134.9682 1939.4378 118.4034 -205973.2349 17668.7028 0.0000 0.0000 34299.4907 -149095.5960 299.5460 -183395.0867 -148995.7094 299.2907 -163.4953 -131.6950 558542.4386 -1.3212 -1.3615 PRESSURE: 2072600 -170.727 108.869 2.46835 108.87 80.1676 16.6848 2.46919 16.6856 -22.1481 GPRESSURE: 2072600 -119.315 84.5018 -35.7206 177.55 111.692 17.0133 -46.4157 -58.1968 -7.30026 PRESSAVG: 2072600 -11.5825 -19.875 -38.3714 -19.8751 34.6123 -8.77566 -38.3714 -8.77568 0.838064 GPRESSAVG: 2072600 -10.9164 -22.1871 -39.7394 -17.2995 33.1709 -6.51824 -34.382 -7.19251 1.16678 TIMING: 2072600 CPU: 6013.42, 0.0028696/step Wall: 6013.42, 0.0028696/step, 2.33347 hours remaining, 206.445312 MB of memory in use. ENERGY: 2072600 757.0498 2051.0824 1950.5544 122.8127 -205891.5852 17750.2827 0.0000 0.0000 34321.9962 -148937.8071 299.7425 -183259.8033 -148836.0027 299.7911 -37.5692 -4.9745 557777.4918 7.9559 7.8071 PRESSURE: 2072800 11.7896 4.52993 37.2673 4.53135 -230.21 44.8075 37.2665 44.8058 -148.265 GPRESSURE: 2072800 47.5403 65.3009 -33.5644 -13.288 -195.453 54.0718 20.7924 -0.119294 -116.093 PRESSAVG: 2072800 -24.2522 38.5542 37.4243 38.5541 6.80528 25.9147 37.4242 25.9147 7.42538 GPRESSAVG: 2072800 -24.5669 39.1261 38.8795 37.4331 8.43408 26.3241 35.5074 24.6178 6.16094 TIMING: 2072800 CPU: 6014, 0.00289532/step Wall: 6014, 0.00289532/step, 2.35421 hours remaining, 206.445312 MB of memory in use. ENERGY: 2072800 728.9960 2035.5130 1982.1614 119.9221 -205551.6298 17511.5028 0.0000 0.0000 34118.1798 -149055.3546 297.9625 -183173.5344 -148958.4860 299.6615 -122.2286 -88.0019 557490.6744 -3.3405 -3.3240 PRESSURE: 2073000 -18.4112 86.5763 -79.5794 86.5753 43.8859 -65.0467 -79.5784 -65.0456 -190.175 GPRESSURE: 2073000 -51.6504 88.1026 1.86115 119.023 101.462 -41.8179 -101.577 -26.3479 -113.324 PRESSAVG: 2073000 89.0963 -2.68071 2.77978 -2.68076 -68.8941 -31.8712 2.77975 -31.8712 -24.554 GPRESSAVG: 2073000 87.5118 -2.62751 2.73527 -1.666 -68.7312 -35.2712 3.33369 -29.2719 -23.2444 TIMING: 2073000 CPU: 6014.57, 0.00288058/step Wall: 6014.57, 0.00288058/step, 2.34207 hours remaining, 206.445312 MB of memory in use. ENERGY: 2073000 756.4880 2120.1167 1954.4641 110.2349 -206013.9352 17668.8950 0.0000 0.0000 34402.1565 -149001.5801 300.4426 -183403.7365 -148905.7040 300.1082 -54.9002 -21.1705 555700.1374 -1.4506 -1.4880 PRESSURE: 2073200 -84.9382 -147.481 -136.068 -147.483 111.15 -15.4156 -136.067 -15.4167 -102.946 GPRESSURE: 2073200 -111.878 -169.614 -123.369 -96.5733 154.481 -30.0453 -165.975 -0.0870895 -29.3395 PRESSAVG: 2073200 24.9288 2.58222 -30.7731 2.58224 0.849865 -13.1873 -30.773 -13.1872 -18.8581 GPRESSAVG: 2073200 24.3319 4.57955 -30.8237 1.03366 -0.285278 -11.0919 -31.5618 -15.1183 -16.8104 TIMING: 2073200 CPU: 6015.15, 0.00287777/step Wall: 6015.15, 0.00287777/step, 2.33963 hours remaining, 206.445312 MB of memory in use. ENERGY: 2073200 731.8758 2104.6802 1953.3159 117.9291 -206122.4053 17598.9646 0.0000 0.0000 34635.0222 -148980.6175 302.4763 -183615.6397 -148877.1783 300.0891 -25.5779 4.4210 555725.3902 2.3069 2.4121 PRESSURE: 2073400 17.6421 139.919 39.8568 139.921 -36.6073 82.6498 39.8564 82.6521 -102.488 GPRESSURE: 2073400 16.7205 146.101 88.8593 184.517 55.5355 172.587 79.956 14.5519 -87.7516 PRESSAVG: 2073400 7.33131 12.7895 -14.5414 12.7895 29.4254 -3.52384 -14.5414 -3.52373 -2.35113 GPRESSAVG: 2073400 7.56276 11.1451 -13.1898 14.8843 29.5348 -2.57775 -15.0831 -4.62159 -3.38595 TIMING: 2073400 CPU: 6015.72, 0.00286717/step Wall: 6015.72, 0.00286717/step, 2.33085 hours remaining, 206.445312 MB of memory in use. ENERGY: 2073400 759.1256 2061.7536 1993.6426 111.5306 -205830.9601 17671.8017 0.0000 0.0000 34285.5495 -148947.5566 299.4242 -183233.1060 -148846.4119 299.9327 -40.4844 -5.1652 557509.4838 11.4685 11.2372 PRESSURE: 2073600 67.9092 42.2738 10.5388 42.2736 -222.997 -98.3541 10.5409 -98.3512 -162.655 GPRESSURE: 2073600 76.4826 -69.6645 -41.2556 7.60142 -182.222 -134.796 18.7219 -88.1841 -100.232 PRESSAVG: 2073600 47.0939 -9.12992 -34.2677 -9.12996 -3.78352 -18.5314 -34.2677 -18.5315 -36.0699 GPRESSAVG: 2073600 47.3118 -9.27012 -35.2379 -11.7998 -3.46068 -20.2567 -32.2493 -16.7103 -36.8586 TIMING: 2073600 CPU: 6016.3, 0.00288093/step Wall: 6016.3, 0.00288093/step, 2.34188 hours remaining, 206.445312 MB of memory in use. ENERGY: 2073600 758.7202 2056.6045 1961.8125 104.2242 -205846.6318 17566.8981 0.0000 0.0000 34318.1384 -149080.2339 299.7088 -183398.3723 -148984.5152 300.0956 -105.9143 -68.6569 556835.2023 2.4135 2.3308 PRESSURE: 2073800 -14.9541 -34.539 -97.3503 -34.5397 -125.411 -26.2608 -97.3502 -26.2606 -346.907 GPRESSURE: 2073800 21.2464 -46.3126 -89.9706 -52.5943 -111.749 -57.1154 -50.7259 -26.3403 -288.326 PRESSAVG: 2073800 22.1822 -51.1209 -60.1792 -51.121 66.7079 -22.7133 -60.1792 -22.7133 -27.3459 GPRESSAVG: 2073800 23.4905 -52.1328 -60.2185 -50.0983 65.0362 -22.6968 -60.5222 -23.4441 -26.4332 TIMING: 2073800 CPU: 6016.88, 0.00291412/step Wall: 6016.88, 0.00291412/step, 2.36869 hours remaining, 206.445312 MB of memory in use. ENERGY: 2073800 729.6702 2117.1582 1976.3557 102.4483 -205675.4428 17491.7076 0.0000 0.0000 34167.3323 -149090.7705 298.3918 -183258.1028 -148995.6023 299.8914 -162.4237 -126.2764 557366.6848 20.5147 20.6978 PRESSURE: 2074000 -36.3551 -32.7364 -101.139 -32.7361 -249.056 201.509 -101.138 201.51 -92.8394 GPRESSURE: 2074000 -10.9751 -83.9517 -74.036 -60.3365 -215.409 113.458 -86.584 263.161 -52.2305 PRESSAVG: 2074000 4.03538 -19.9868 3.72972 -19.9868 -3.66585 43.6519 3.72971 43.6519 -0.63076 GPRESSAVG: 2074000 3.28881 -18.6251 3.93032 -21.7971 -3.35541 44.0264 4.24012 43.3939 -0.339098 TIMING: 2074000 CPU: 6017.46, 0.00290964/step Wall: 6017.46, 0.00290964/step, 2.36489 hours remaining, 206.445312 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: 2074000 738.6228 2089.4788 1959.3844 111.8949 -205721.1850 17536.5699 0.0000 0.0000 34253.2519 -149031.9822 299.1422 -183285.2342 -148939.0183 299.4436 -126.0833 -92.8716 556738.9504 -0.0871 -0.1352 PRESSURE: 2074200 -37.6198 -97.3569 -61.3375 -97.3576 -22.4665 -60.9381 -61.3389 -60.9377 -238.276 GPRESSURE: 2074200 -9.08602 -171.033 -61.775 -47.3918 -6.90376 -1.05045 -20.1663 -15.1232 -193.623 PRESSAVG: 2074200 29.919 -57.2227 -17.2536 -57.2226 -42.6709 -29.7609 -17.2537 -29.7608 49.428 GPRESSAVG: 2074200 28.4874 -56.4304 -18.3089 -55.7375 -41.0971 -28.2437 -18.4259 -30.0801 49.3962 TIMING: 2074200 CPU: 6018.05, 0.00291324/step Wall: 6018.05, 0.00291324/step, 2.36766 hours remaining, 206.445312 MB of memory in use. ENERGY: 2074200 745.9515 2123.8852 1955.1508 121.4214 -205975.2034 17516.9746 0.0000 0.0000 34500.2221 -149011.5977 301.2990 -183511.8198 -148909.1952 300.2547 -99.4542 -69.8710 555903.7463 12.2254 12.2622 PRESSURE: 2074400 80.6777 -131.718 22.932 -131.718 -84.1907 23.8911 22.9319 23.8887 36.3741 GPRESSURE: 2074400 103.613 -122.957 105.523 -196.048 -64.4576 -15.6574 -2.36908 46.0337 85.5486 PRESSAVG: 2074400 -27.1256 -0.335422 -17.0723 -0.335472 8.24392 7.47042 -17.0723 7.47039 15.3133 GPRESSAVG: 2074400 -25.0774 -1.50962 -15.6887 1.81905 7.29585 5.08135 -17.7304 8.35008 14.9935 TIMING: 2074400 CPU: 6018.63, 0.0029185/step Wall: 6018.63, 0.0029185/step, 2.37176 hours remaining, 206.445312 MB of memory in use. ENERGY: 2074400 698.3623 2085.7491 1991.2457 117.5389 -205687.3899 17473.2912 0.0000 0.0000 34407.0909 -148914.1119 300.4857 -183321.2028 -148815.5589 300.2085 10.9537 41.5679 557045.2898 -1.1894 -0.9294 PRESSURE: 2074600 344.535 39.1561 -120.189 39.156 324.645 -155.098 -120.189 -155.097 339.261 GPRESSURE: 2074600 380.244 35.7743 -165.634 14.2466 400.314 -100.808 -88.0765 -138.09 331.279 PRESSAVG: 2074600 12.9063 -50.0324 -11.5184 -50.0324 -85.951 -21.3795 -11.5184 -21.3797 81.9757 GPRESSAVG: 2074600 10.6089 -48.9424 -12.8865 -51.9551 -84.8271 -21.5799 -11.7604 -20.1282 83.2555 TIMING: 2074600 CPU: 6019.21, 0.00288846/step Wall: 6019.21, 0.00288846/step, 2.34719 hours remaining, 206.445312 MB of memory in use. ENERGY: 2074600 734.3304 2117.6550 2005.2195 108.8312 -206568.3605 18288.3186 0.0000 0.0000 34336.9718 -148977.0340 299.8733 -183314.0058 -148880.8914 300.6180 336.1469 370.6121 555107.9791 2.9770 3.0124 PRESSURE: 2074800 -251.179 -150.98 23.1646 -150.979 -202.402 75.82 23.164 75.8202 13.428 GPRESSURE: 2074800 -243.689 -203.688 -1.62586 -42.2226 -172.064 44.079 30.4727 57.8543 63.3461 PRESSAVG: 2074800 -21.4519 -47.7812 -9.33668 -47.7812 -51.7645 -20.2274 -9.33673 -20.2274 70.9812 GPRESSAVG: 2074800 -20.37 -48.5679 -10.4337 -48.4197 -51.8778 -18.7538 -7.89724 -23.0139 69.8392 TIMING: 2074800 CPU: 6019.79, 0.00290932/step Wall: 6019.79, 0.00290932/step, 2.36398 hours remaining, 206.445312 MB of memory in use. ENERGY: 2074800 772.7550 2145.0100 1941.8931 105.7577 -205580.2145 17319.5326 0.0000 0.0000 34323.6643 -148971.6018 299.7571 -183295.2661 -148870.0926 299.7884 -146.7175 -117.4690 557033.6657 -0.7451 -0.8028 PRESSURE: 2075000 76.5472 20.2103 -29.7383 20.2092 -190.64 -117.212 -29.7373 -117.212 -1.25863 GPRESSURE: 2075000 72.4848 16.4268 -11.8711 32.0899 -138.757 -113.388 -52.3339 -32.7237 65.5023 PRESSAVG: 2075000 -16.7091 -53.8195 -29.4855 -53.8194 -51.9563 -45.759 -29.4853 -45.7591 37.0221 GPRESSAVG: 2075000 -17.4981 -53.5177 -27.7288 -52.325 -51.1591 -45.4538 -29.8212 -44.4835 37.0644 TIMING: 2075000 CPU: 6020.36, 0.00286709/step Wall: 6020.36, 0.00286709/step, 2.32951 hours remaining, 206.445312 MB of memory in use. ENERGY: 2075000 748.2042 2113.0469 1943.2270 113.0004 -206148.4514 17814.8014 0.0000 0.0000 34357.8735 -149058.2980 300.0559 -183416.1715 -148965.8968 299.3830 -38.4503 -0.2565 558211.8398 -10.5477 -10.5310 PRESSURE: 2075200 17.2345 -21.6451 -122.435 -21.6446 133.978 -139.145 -122.434 -139.144 120.733 GPRESSURE: 2075200 -51.038 -32.1519 -46.5004 -49.1342 198.561 -202.633 -202.284 -132.085 216.033 PRESSAVG: 2075200 57.1 -11.6788 -14.3599 -11.6788 -32.9078 -34.3615 -14.3597 -34.3615 19.5659 GPRESSAVG: 2075200 57.3288 -11.0751 -15.8002 -14.6913 -32.435 -36.3266 -12.3003 -33.3547 19.1536 TIMING: 2075200 CPU: 6020.94, 0.00288801/step Wall: 6020.94, 0.00288801/step, 2.34635 hours remaining, 206.445312 MB of memory in use. ENERGY: 2075200 751.1272 2063.1996 1974.7024 115.6857 -206046.5823 18035.6849 0.0000 0.0000 34367.4316 -148738.7509 300.1393 -183106.1825 -148638.1969 299.9268 90.6484 121.1851 558041.7655 14.5860 14.6825 PRESSURE: 2075400 4.95978 53.4697 -216.724 53.4704 -206.804 -52.1097 -216.726 -52.1085 -176.53 GPRESSURE: 2075400 20.7501 63.3432 -221.988 90.3074 -183.763 -9.01348 -197.785 -160.197 -123.575 PRESSAVG: 2075400 -25.2146 7.50573 -29.4084 7.50563 72.1757 -113.278 -29.4084 -113.278 -29.1077 GPRESSAVG: 2075400 -24.8049 6.47128 -29.5324 8.3011 71.2108 -113.459 -30.9722 -111.907 -28.3232 TIMING: 2075400 CPU: 6021.52, 0.00290235/step Wall: 6021.52, 0.00290235/step, 2.35783 hours remaining, 206.644531 MB of memory in use. ENERGY: 2075400 754.2843 2045.7149 1960.1885 102.7578 -205698.7768 17481.5437 0.0000 0.0000 34293.3000 -149060.9876 299.4919 -183354.2876 -148960.2251 298.5360 -126.1248 -95.5292 558114.7777 5.9511 6.0276 PRESSURE: 2075600 -279.905 7.48702 -238.733 7.48762 -7.04926 7.62535 -238.734 7.6255 -107.29 GPRESSURE: 2075600 -270.003 -35.5241 -192.743 40.2018 32.3386 -5.83441 -278.269 -37.23 -49.6803 PRESSAVG: 2075600 -91.1054 -19.8101 -70.6223 -19.8102 61.0002 -25.2984 -70.6223 -25.2982 -12.0875 GPRESSAVG: 2075600 -90.3924 -20.7688 -66.9149 -18.1212 61.9082 -24.0819 -74.2337 -27.287 -13.5346 TIMING: 2075600 CPU: 6022.1, 0.00290378/step Wall: 6022.1, 0.00290378/step, 2.35883 hours remaining, 206.644531 MB of memory in use. ENERGY: 2075600 737.3420 2102.0087 1952.4433 108.3278 -205922.0682 17701.3029 0.0000 0.0000 34136.3521 -149184.2915 298.1213 -183320.6436 -149085.6203 298.8263 -131.4148 -95.7815 559103.6771 -14.0642 -14.0063 PRESSURE: 2075800 129.622 39.8067 34.7265 39.8068 302.072 -47.2529 34.7263 -47.2537 263.305 GPRESSURE: 2075800 147.413 109.896 110.142 99.0138 365.127 -39.8908 131.254 -94.8995 274.011 PRESSAVG: 2075800 36.2745 -45.0334 -31.6605 -45.0333 -36.6617 -17.9004 -31.6604 -17.9004 -3.94621 GPRESSAVG: 2075800 36.6804 -43.5614 -33.5463 -45.7535 -37.3422 -18.0318 -28.6979 -16.7748 -3.56637 TIMING: 2075800 CPU: 6022.68, 0.00291056/step Wall: 6022.68, 0.00291056/step, 2.36419 hours remaining, 206.644531 MB of memory in use. ENERGY: 2075800 690.1585 2046.1737 1947.6834 116.9650 -206466.1136 18211.6545 0.0000 0.0000 34109.5626 -149343.9159 297.8873 -183453.4785 -149251.5174 298.9696 231.6663 262.1837 558608.7848 -1.4445 -1.4094 PRESSURE: 2076000 -79.5586 146.233 -110.057 146.234 -115.821 -16.821 -110.057 -16.8222 74.2846 GPRESSURE: 2076000 -53.2106 167.562 -193.151 128.057 -51.4324 -52.7912 -107.619 -3.72239 83.3054 PRESSAVG: 2076000 -50.269 100.338 -50.3382 100.338 -36.6125 15.3795 -50.3382 15.3796 27.6026 GPRESSAVG: 2076000 -51.1709 99.3575 -50.6837 100.412 -35.935 14.5035 -49.3794 15.051 28.1406 TIMING: 2076000 CPU: 6023.26, 0.00289877/step Wall: 6023.26, 0.00289877/step, 2.35444 hours remaining, 206.644531 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: 2076000 739.7046 2052.1275 1977.5134 116.2523 -206189.8300 17820.9715 0.0000 0.0000 34167.0757 -149316.1851 298.3896 -183483.2608 -149227.9674 298.3571 -40.3649 -7.1125 557263.0963 -19.7596 -19.6551 PRESSURE: 2076200 -323.475 -152.145 78.9172 -152.146 -259.838 -37.7451 78.9162 -37.7443 -164.581 GPRESSURE: 2076200 -230.719 -194.504 25.9531 -90.2754 -230.125 63.0636 55.8568 -154.236 -186.341 PRESSAVG: 2076200 1.81964 13.17 16.1938 13.17 14.5257 24.693 16.1939 24.693 -39.4086 GPRESSAVG: 2076200 1.48514 12.7537 15.9998 12.3121 13.8285 26.6462 15.5609 23.062 -38.8849 TIMING: 2076200 CPU: 6023.84, 0.0029002/step Wall: 6023.84, 0.0029002/step, 2.35544 hours remaining, 206.644531 MB of memory in use. ENERGY: 2076200 748.9753 2100.0772 1998.2963 124.0305 -205873.9318 17472.5811 0.0000 0.0000 34178.1507 -149251.8206 298.4863 -183429.9713 -149154.5395 298.6291 -249.2980 -215.7283 558408.9446 -7.6878 -7.8571 LDB: ============= START OF LOAD BALANCING ============== 6027.31 LDB: ============== END OF LOAD BALANCING =============== 6027.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6027.31 LDB: ============= START OF LOAD BALANCING ============== 6027.6 LDB: Largest compute 4821 load 0.029226 is 24.8% of average load 0.117774 LDB: Average compute 0.001717 is 1.5% of average load 0.117774 LDB: TIME 6027.6 LOAD: AVG 0.117774 MAX 0.176166 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.148 MB LDB: TIME 6027.6 LOAD: AVG 0.117774 MAX 0.176166 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: TIME 6027.6 LOAD: AVG 0.117774 MAX 0.176166 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: ============== END OF LOAD BALANCING =============== 6027.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6027.61 PRESSURE: 2076400 -66.2929 -46.7787 -91.4711 -46.779 -41.309 -52.9523 -91.4716 -52.9527 -6.27752 GPRESSURE: 2076400 -5.98642 -11.3769 -106.352 -34.1643 -39.3198 -1.10255 -36.234 -55.2945 16.0984 PRESSAVG: 2076400 -8.37468 -23.7405 -0.000987704 -23.7404 38.0051 19.285 -0.000898799 19.2851 -54.1058 GPRESSAVG: 2076400 -6.94994 -23.4521 0.523609 -22.81 39.0928 18.1602 0.294543 20.1582 -56.4781 TIMING: 2076400 CPU: 6024.43, 0.00295159/step Wall: 6024.43, 0.00295159/step, 2.39702 hours remaining, 206.644531 MB of memory in use. ENERGY: 2076400 675.3221 2091.4196 1953.5018 115.2780 -205651.7275 17361.1077 0.0000 0.0000 34211.4468 -149243.6516 298.7771 -183455.0983 -149140.9466 298.7094 -37.9598 -9.7359 556136.5223 -8.1584 -8.1117 PRESSURE: 2076600 -12.5509 118.661 -61.3159 118.66 479.15 7.61818 -61.317 7.61598 191.655 GPRESSURE: 2076600 44.2546 96.9012 -138.776 98.2458 462.606 59.4992 1.4305 29.4817 246.891 PRESSAVG: 2076600 -7.84662 28.553 5.94767 28.553 38.3836 33.296 5.94766 33.2959 2.71388 GPRESSAVG: 2076600 -9.46415 30.1418 6.04265 27.3902 39.0429 31.9183 4.96624 35.1988 3.5887 TIMING: 2076600 CPU: 6025.01, 0.00289415/step Wall: 6025.01, 0.00289415/step, 2.35021 hours remaining, 207.109375 MB of memory in use. ENERGY: 2076600 729.7305 2070.8160 1954.0903 106.6547 -206701.8685 18209.1541 0.0000 0.0000 34340.4667 -149290.9563 299.9038 -183631.4230 -149190.7607 299.7094 219.4180 251.2507 555944.9099 11.0836 11.0558 PRESSURE: 2076800 -280.093 13.8105 -49.1204 13.8113 -63.418 49.7923 -49.121 49.7912 -38.7896 GPRESSURE: 2076800 -229.043 32.3912 -26.593 -23.717 -50.6027 -13.8472 -91.0844 167.158 -7.83028 PRESSAVG: 2076800 44.9033 38.8001 -19.3893 38.8001 -19.8237 -4.37526 -19.3893 -4.37537 -40.4802 GPRESSAVG: 2076800 45.5579 38.8917 -18.7337 38.4934 -21.0539 -4.17675 -18.9064 -6.00089 -40.3966 TIMING: 2076800 CPU: 6025.59, 0.00288726/step Wall: 6025.59, 0.00288726/step, 2.34446 hours remaining, 207.109375 MB of memory in use. ENERGY: 2076800 764.9147 2116.8482 1987.2716 114.0342 -206130.6213 17620.0260 0.0000 0.0000 34220.1605 -149307.3661 298.8532 -183527.5266 -149211.6057 298.9116 -127.4336 -95.8253 557034.0168 -5.1335 -5.2976 PRESSURE: 2077000 11.3078 157.441 -64.2236 157.442 -269.467 -67.961 -64.2233 -67.9596 183.547 GPRESSURE: 2077000 89.6283 162.03 -61.4998 83.9703 -237.13 -79.4855 -113.878 -95.613 160.229 PRESSAVG: 2077000 -29.7127 41.9176 11.1714 41.9176 -27.3625 -18.0409 11.1713 -18.0409 38.0574 GPRESSAVG: 2077000 -29.7884 41.7811 9.36651 43.6162 -26.4475 -17.445 10.7025 -18.4921 36.9453 TIMING: 2077000 CPU: 6026.17, 0.0029058/step Wall: 6026.17, 0.0029058/step, 2.35935 hours remaining, 207.121094 MB of memory in use. ENERGY: 2077000 749.9551 2138.8991 1953.8230 116.6402 -206263.2281 17797.3156 0.0000 0.0000 34054.6700 -149451.9251 297.4079 -183506.5951 -149357.3605 297.8958 -24.8708 4.2422 556333.3610 -6.3393 -6.4302 PRESSURE: 2077200 -61.0586 34.0776 -82.7951 34.0763 86.4537 -16.0478 -82.7945 -16.0484 -243.571 GPRESSURE: 2077200 -21.2058 -55.0143 -161.251 67.7776 87.394 -0.158287 -4.40824 -7.89173 -203.37 PRESSAVG: 2077200 38.5498 -7.72218 -14.3786 -7.72215 32.5002 14.1942 -14.3785 14.1941 -48.4306 GPRESSAVG: 2077200 36.9286 -8.53961 -15.817 -7.05941 32.4077 15.3289 -10.5454 12.0812 -47.2847 TIMING: 2077200 CPU: 6026.75, 0.00286874/step Wall: 6026.75, 0.00286874/step, 2.32909 hours remaining, 207.121094 MB of memory in use. ENERGY: 2077200 766.0526 2059.4805 1983.0054 105.7890 -206148.9643 17655.3245 0.0000 0.0000 34201.6632 -149377.6491 298.6916 -183579.3123 -149285.9267 298.3273 -72.7251 -45.7272 557880.5728 7.5398 7.3505 PRESSURE: 2077400 -75.8428 -108.536 -81.6078 -108.535 -73.334 2.69512 -81.608 2.69572 -42.9441 GPRESSURE: 2077400 -32.3648 -133.604 -125.697 -16.8399 -64.9737 19.5202 49.6774 17.8362 -1.44565 PRESSAVG: 2077400 23.2482 -18.6758 -13.8285 -18.6758 -15.7057 -19.664 -13.8285 -19.6639 -23.0287 GPRESSAVG: 2077400 23.8941 -21.0751 -10.8517 -18.6835 -15.9415 -19.2313 -16.853 -17.7224 -23.2257 TIMING: 2077400 CPU: 6027.32, 0.00289368/step Wall: 6027.32, 0.00289368/step, 2.34918 hours remaining, 207.121094 MB of memory in use. ENERGY: 2077400 760.1412 2076.9724 1961.9438 123.7048 -206197.8825 17664.8981 0.0000 0.0000 34270.7602 -149339.4621 299.2951 -183610.2223 -149247.9904 298.5464 -64.0403 -32.9281 556992.4712 -5.1621 -5.0911 PRESSURE: 2077600 242.451 -29.3896 13.4692 -29.389 -212.86 -149.743 13.4698 -149.741 -234.321 GPRESSURE: 2077600 260.81 37.86 -4.08601 -69.9539 -190.823 -134.514 -18.001 -122.444 -190.085 PRESSAVG: 2077600 40.5957 -6.10479 12.9332 -6.10486 -4.52718 7.37345 12.9332 7.3734 -27.1798 GPRESSAVG: 2077600 42.5644 -3.84826 11.5134 -6.40308 -5.9923 5.16833 11.6989 7.42092 -27.1762 TIMING: 2077600 CPU: 6027.91, 0.00290328/step Wall: 6027.91, 0.00290328/step, 2.35682 hours remaining, 207.121094 MB of memory in use. ENERGY: 2077600 700.6584 2159.4443 1955.9565 109.1361 -206536.5864 17646.4209 0.0000 0.0000 34441.5086 -149523.4616 300.7863 -183964.9702 -149427.7140 299.4640 -68.2434 -40.0327 555424.3306 2.9629 3.1320 PRESSURE: 2077800 114.019 -274.44 64.0432 -274.44 143.629 -104.106 64.042 -104.107 -115.67 GPRESSURE: 2077800 144.412 -221.623 71.0148 -268.113 191.135 -152.866 49.9317 -118.131 -89.635 PRESSAVG: 2077800 33.2408 5.20416 -58.15 5.20423 -24.3511 -34.3602 -58.15 -34.3601 -37.0375 GPRESSAVG: 2077800 32.051 5.59545 -56.8816 5.60839 -23.2943 -32.9829 -57.9137 -32.9829 -36.4571 TIMING: 2077800 CPU: 6028.48, 0.00289018/step Wall: 6028.48, 0.00289018/step, 2.34602 hours remaining, 207.121094 MB of memory in use. ENERGY: 2077800 766.2842 2058.0679 1981.9364 123.5813 -206570.1775 17998.8938 0.0000 0.0000 34262.2612 -149379.1526 299.2208 -183641.4139 -149283.0243 298.8738 47.3259 81.9708 554997.5483 -9.3826 -9.2334 PRESSURE: 2078000 -0.657791 -134.659 23.0179 -134.66 -34.7678 137.762 23.0185 137.76 -81.8964 GPRESSURE: 2078000 58.3938 -159.445 0.711408 -121.609 17.4912 98.599 62.0133 129.185 -100.852 PRESSAVG: 2078000 44.9979 -29.4224 69.1597 -29.4224 -82.5446 -27.05 69.1597 -27.05 26.2374 GPRESSAVG: 2078000 45.2104 -30.329 67.7713 -30.4168 -82.2035 -26.3937 70.3237 -30.1697 24.914 TIMING: 2078000 CPU: 6029.06, 0.00289057/step Wall: 6029.06, 0.00289057/step, 2.34618 hours remaining, 207.121094 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: 2078000 785.5179 2121.1634 1979.3843 117.9063 -206271.5368 17890.4381 0.0000 0.0000 34117.1046 -149260.0223 297.9532 -183377.1269 -149171.8350 299.3859 -39.1073 -8.3224 557222.0869 -3.7698 -4.0264 PRESSURE: 2078200 209.21 -23.4318 96.7363 -23.4314 29.416 -71.5671 96.736 -71.5679 183.687 GPRESSURE: 2078200 219.181 -50.7535 116.203 14.4599 120.403 121.536 124.636 -105.1 183.871 PRESSAVG: 2078200 52.3431 -23.3965 52.2231 -23.3965 -94.8662 11.5278 52.2231 11.5279 -11.795 GPRESSAVG: 2078200 52.171 -22.5776 52.9957 -24.3549 -95.1469 10.3828 52.3054 13.6206 -11.3857 TIMING: 2078200 CPU: 6029.64, 0.00289963/step Wall: 6029.64, 0.00289963/step, 2.35337 hours remaining, 207.121094 MB of memory in use. ENERGY: 2078200 732.5574 2108.5821 1970.3695 125.0549 -206809.2091 18083.7500 0.0000 0.0000 34444.4827 -149344.4125 300.8122 -183788.8951 -149247.1723 299.7873 140.7711 174.4853 555902.5192 -18.1060 -18.1205 PRESSURE: 2078400 -94.5765 -61.9465 -82.1201 -61.9461 -339.531 59.2923 -82.119 59.2911 -195.322 GPRESSURE: 2078400 -63.4763 -131.694 -42.7179 -74.0034 -312.626 25.3787 -146.378 72.3514 -178.962 PRESSAVG: 2078400 60.3758 -5.45621 2.42712 -5.45616 -29.3402 64.2175 2.42707 64.2176 -8.29904 GPRESSAVG: 2078400 59.034 -6.42383 1.98942 -4.30107 -29.1337 64.0633 1.65821 64.9494 -7.50463 TIMING: 2078400 CPU: 6030.22, 0.00290429/step Wall: 6030.22, 0.00290429/step, 2.35699 hours remaining, 207.121094 MB of memory in use. ENERGY: 2078400 769.9653 2096.5001 1953.4217 115.0479 -206183.8900 17643.6001 0.0000 0.0000 34221.1266 -149384.2284 298.8616 -183605.3550 -149288.1748 298.8921 -209.8096 -185.0215 558297.8206 7.5789 7.4652 PRESSURE: 2078600 124.471 1.87066 86.6149 1.8698 -2.18914 20.3598 86.6139 20.3603 -308.6 GPRESSURE: 2078600 147.285 40.5845 63.9958 -50.6924 33.2562 -2.86417 113.91 63.557 -267.937 PRESSAVG: 2078600 64.3811 26.973 -10.4923 26.973 -0.576637 31.3997 -10.4924 31.3998 -32.6694 GPRESSAVG: 2078600 65.8984 27.5942 -9.28683 27.337 -1.09118 32.2372 -9.36289 30.9904 -33.7205 TIMING: 2078600 CPU: 6030.8, 0.00288852/step Wall: 6030.8, 0.00288852/step, 2.34404 hours remaining, 207.121094 MB of memory in use. ENERGY: 2078600 751.5640 2110.4406 1960.8763 103.4208 -206594.5882 17927.6104 0.0000 0.0000 34085.4571 -149655.2189 297.6768 -183740.6760 -149555.6196 298.0747 -62.1060 -29.1318 559074.4354 10.3784 10.3622 PRESSURE: 2078800 139.495 90.5841 231.318 90.5846 18.4816 -71.3477 231.318 -71.3473 -178.825 GPRESSURE: 2078800 204.971 93.1011 177.595 56.035 13.201 39.9377 343.418 -143.716 -144.059 PRESSAVG: 2078800 9.70219 -5.93652 43.066 -5.93654 -10.5526 -8.10889 43.066 -8.10894 -8.61734 GPRESSAVG: 2078800 9.95708 -6.12219 42.1805 -6.70198 -11.895 -8.0609 41.2914 -7.81604 -8.27715 TIMING: 2078800 CPU: 6031.38, 0.00291153/step Wall: 6031.38, 0.00291153/step, 2.36255 hours remaining, 207.121094 MB of memory in use. ENERGY: 2078800 687.1236 2112.2323 1971.5859 120.8133 -206559.9338 17828.5563 0.0000 0.0000 34174.3698 -149665.2525 298.4533 -183839.6223 -149572.3604 297.7018 -6.9496 24.7045 558604.8110 -3.1559 -3.4050 PRESSURE: 2079000 151.7 1.42 -27.2184 1.42041 215.101 -25.8421 -27.2182 -25.843 367.861 GPRESSURE: 2079000 226.002 -1.8784 9.98664 -4.10296 237.839 -144.602 -84.8307 29.4055 370.988 PRESSAVG: 2079000 5.06865 -50.1568 4.87642 -50.1569 5.01983 0.35252 4.87633 0.352567 -16.1512 GPRESSAVG: 2079000 4.69508 -48.7216 5.94681 -49.9608 7.10801 1.53588 4.66168 0.729594 -18.2137 TIMING: 2079000 CPU: 6031.96, 0.00288964/step Wall: 6031.96, 0.00288964/step, 2.34462 hours remaining, 207.121094 MB of memory in use. ENERGY: 2079000 718.6934 2071.9726 1987.7504 123.9925 -207316.7474 18318.4227 0.0000 0.0000 34317.8621 -149778.0537 299.7064 -184095.9158 -149685.0953 297.5004 244.8871 278.2764 556378.7268 -2.0209 -2.1369 PRESSURE: 2079200 -24.9236 67.1691 -86.6226 67.1704 -1.98459 -27.4229 -86.6236 -27.4256 -258.11 GPRESSURE: 2079200 8.55498 32.5242 -152.467 94.2326 35.9891 -12.4033 -31.9511 -90.689 -233.911 PRESSAVG: 2079200 -15.7327 55.756 -27.3831 55.756 43.0186 -24.1731 -27.383 -24.1731 -24.1362 GPRESSAVG: 2079200 -14.8981 56.0262 -27.4404 55.3021 42.5076 -23.1342 -24.2621 -25.2711 -23.9675 TIMING: 2079200 CPU: 6032.54, 0.00288913/step Wall: 6032.54, 0.00288913/step, 2.34405 hours remaining, 207.121094 MB of memory in use. ENERGY: 2079200 756.5959 2094.3408 1936.0627 106.0676 -206727.7956 17905.9189 0.0000 0.0000 34170.8500 -149757.9597 298.4225 -183928.8097 -149666.7027 298.3029 -95.0061 -63.1225 557937.0335 1.0499 1.2140 PRESSURE: 2079400 200.63 -84.4527 -8.87465 -84.4535 63.3566 41.3582 -8.87704 41.357 35.8243 GPRESSURE: 2079400 206.134 -129.826 23.6671 -130.538 128.492 34.4264 -30.5906 31.3476 61.8221 PRESSAVG: 2079400 29.2793 0.712781 13.9925 0.712761 -35.3644 13.1155 13.9925 13.1155 -16.7079 GPRESSAVG: 2079400 27.2766 -0.903717 14.4941 1.3616 -35.3397 9.96129 12.8682 14.5139 -14.4635 TIMING: 2079400 CPU: 6033.12, 0.00289672/step Wall: 6033.12, 0.00289672/step, 2.35004 hours remaining, 207.121094 MB of memory in use. ENERGY: 2079400 707.9019 2095.9972 1960.0584 120.6180 -206819.3520 18032.6496 0.0000 0.0000 34174.7009 -149727.4261 298.4562 -183902.1270 -149627.3999 297.7085 99.9371 132.1495 556544.3395 -7.5977 -7.5089 PRESSURE: 2079600 51.6475 -224.517 -35.6819 -224.517 -84.5168 126.753 -35.6823 126.752 -221.993 GPRESSURE: 2079600 27.2317 -210.59 -42.6611 -98.7168 -18.5194 79.0412 35.1761 129.28 -167.342 PRESSAVG: 2079600 20.0189 0.843533 0.374865 0.84352 53.6125 30.2349 0.374802 30.2351 -43.6601 GPRESSAVG: 2079600 21.9108 -0.341807 -0.23079 1.17851 52.7984 31.5873 -0.742942 29.8506 -44.797 TIMING: 2079600 CPU: 6033.69, 0.00287899/step Wall: 6033.69, 0.00287899/step, 2.3355 hours remaining, 207.121094 MB of memory in use. ENERGY: 2079600 767.3671 2050.9372 1962.2099 116.4867 -206710.8080 17939.2451 0.0000 0.0000 34115.2679 -149759.2942 297.9371 -183874.5621 -149659.2947 297.2766 -84.9542 -52.8767 557028.9796 9.9904 9.9707 PRESSURE: 2079800 240.337 86.6642 83.6567 86.6629 -148.957 -53.0421 83.6551 -53.043 47.7241 GPRESSURE: 2079800 280.437 133.471 130.961 40.1696 -147.153 -31.137 18.5614 -113.272 90.2775 PRESSAVG: 2079800 40.3549 15.0112 20.4148 15.0114 -37.8907 8.9623 20.4147 8.96234 -35.9199 GPRESSAVG: 2079800 38.6962 15.6502 21.0062 14.8449 -38.2275 8.81022 20.3955 9.35553 -34.1616 TIMING: 2079800 CPU: 6034.27, 0.00288963/step Wall: 6034.27, 0.00288963/step, 2.34397 hours remaining, 207.121094 MB of memory in use. ENERGY: 2079800 765.4799 2088.5377 1976.4349 110.1501 -207023.6758 18144.4765 0.0000 0.0000 34171.0003 -149767.5964 298.4238 -183938.5966 -149667.3639 297.9619 46.3682 74.5204 556200.9955 -11.1519 -11.2309 PRESSURE: 2080000 117.876 36.5984 -58.5551 36.5983 65.5634 159.236 -58.556 159.237 36.6362 GPRESSURE: 2080000 175.624 56.1241 -86.8574 -18.1244 104.875 165.48 -45.0941 155.683 49.5421 PRESSAVG: 2080000 51.7612 48.7533 -22.3319 48.7532 -28.2555 13.7228 -22.3319 13.7228 -2.37501 GPRESSAVG: 2080000 50.9492 50.0373 -23.5651 49.0119 -27.009 15.1886 -21.0342 11.4294 -3.13437 TIMING: 2080000 CPU: 6034.85, 0.00291012/step Wall: 6034.85, 0.00291012/step, 2.36043 hours remaining, 207.121094 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: 2080000 743.6271 2115.9078 1945.0310 129.9550 -206819.5336 18042.5734 0.0000 0.0000 34041.1568 -149801.2826 297.2899 -183842.4394 -149699.5145 298.0956 73.3585 110.0136 555575.7080 7.0436 6.9353 PRESSURE: 2080200 -69.1148 58.3948 -41.4478 58.3944 -272.255 -77.1278 -41.4486 -77.1264 -109.118 GPRESSURE: 2080200 -16.7609 80.1199 -6.14088 99.5965 -225.681 -65.3909 11.053 -71.0396 -121.34 PRESSAVG: 2080200 48.5529 30.2935 11.4144 30.2936 -69.4602 -13.4125 11.4144 -13.4124 -12.9926 GPRESSAVG: 2080200 50.7827 30.117 12.5463 31.7576 -71.1499 -14.2237 11.8118 -9.97987 -13.7011 TIMING: 2080200 CPU: 6035.43, 0.00287767/step Wall: 6035.43, 0.00287767/step, 2.33395 hours remaining, 207.121094 MB of memory in use. ENERGY: 2080200 714.6478 2119.1169 1955.1153 129.8044 -206361.8339 17736.1953 0.0000 0.0000 34138.8143 -149568.1399 298.1428 -183706.9541 -149477.9881 297.8616 -150.1628 -121.2609 557661.5491 -11.3000 -11.3561 LDB: ============= START OF LOAD BALANCING ============== 6038.9 LDB: ============== END OF LOAD BALANCING =============== 6038.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6038.9 LDB: ============= START OF LOAD BALANCING ============== 6039.19 LDB: Largest compute 4821 load 0.030660 is 26.0% of average load 0.117857 LDB: Average compute 0.001713 is 1.5% of average load 0.117857 LDB: TIME 6039.19 LOAD: AVG 0.117857 MAX 0.179424 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 6039.19 LOAD: AVG 0.117857 MAX 0.179424 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 6039.19 LOAD: AVG 0.117857 MAX 0.179424 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 6039.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6039.19 PRESSURE: 2080400 -83.8162 74.3484 5.02954 74.3485 -107.261 -77.9524 5.02978 -77.9538 -315.517 GPRESSURE: 2080400 -24.9293 25.5325 54.0437 112.121 -128.23 -157.99 -0.477978 -30.718 -267.023 PRESSAVG: 2080400 -8.4691 73.2719 30.0078 73.2719 -4.99704 -59.8992 30.0078 -59.8992 8.30383 GPRESSAVG: 2080400 -10.1562 73.0744 30.4598 71.5574 -3.37514 -59.1032 28.8547 -62.1806 8.63403 TIMING: 2080400 CPU: 6036.02, 0.00295323/step Wall: 6036.02, 0.00295323/step, 2.39507 hours remaining, 206.386719 MB of memory in use. ENERGY: 2080400 746.3682 2140.9980 1969.0366 121.4582 -206079.2237 17480.1241 0.0000 0.0000 34222.6808 -149398.5578 298.8752 -183621.2386 -149303.1348 298.3958 -168.8645 -140.0607 556628.4510 -1.7208 -1.6324 PRESSURE: 2080600 18.6434 49.8624 -162.537 49.8621 -37.9215 -158.876 -162.537 -158.877 -191.529 GPRESSURE: 2080600 69.7123 133.633 -33.0087 17.9968 -32.4855 -167.895 -108.374 -135.352 -153.969 PRESSAVG: 2080600 11.2675 18.4596 -3.25073 18.4597 19.7904 -45.6361 -3.25075 -45.636 -5.2321 GPRESSAVG: 2080600 12.3105 18.5856 -2.79306 18.5858 19.163 -45.5415 -4.2684 -45.5955 -5.58459 TIMING: 2080600 CPU: 6036.6, 0.00289734/step Wall: 6036.6, 0.00289734/step, 2.34958 hours remaining, 206.644531 MB of memory in use. ENERGY: 2080600 759.3791 2141.8371 1973.0640 108.7149 -206024.1352 17641.6563 0.0000 0.0000 34127.6820 -149271.8018 298.0455 -183399.4838 -149170.3006 298.1782 -70.2690 -38.9141 558015.1044 8.6086 8.6296 PRESSURE: 2080800 -128.297 121.063 97.0202 121.064 -88.6656 -12.4749 97.0201 -12.4774 -93.3938 GPRESSURE: 2080800 -127.88 22.0303 83.3274 143.893 -20.6064 -6.95948 64.1243 -36.8995 -75.9021 PRESSAVG: 2080800 26.7104 24.7266 -36.8768 24.7266 29.598 -11.5886 -36.8767 -11.5886 -41.7787 GPRESSAVG: 2080800 25.8963 23.3361 -38.0373 26.0709 30.8297 -9.93778 -35.4754 -11.4399 -42.5939 TIMING: 2080800 CPU: 6037.18, 0.00292225/step Wall: 6037.18, 0.00292225/step, 2.36962 hours remaining, 206.644531 MB of memory in use. ENERGY: 2080800 759.6539 2089.5463 1973.5744 132.7113 -206259.6424 17641.0903 0.0000 0.0000 34411.6544 -149251.4118 300.5255 -183663.0662 -149157.2469 298.7971 -103.4521 -74.7962 557326.2224 4.8433 4.7107 PRESSURE: 2081000 -105.378 -53.6809 -104.101 -53.6808 154.754 136.63 -104.099 136.631 95.9935 GPRESSURE: 2081000 -55.6447 -83.1647 -93.5675 -61.1378 176.215 194.835 -142.725 110.589 128.125 PRESSAVG: 2081000 14.2939 -21.4487 -61.5362 -21.4486 -22.8784 41.6933 -61.5362 41.6933 19.9936 GPRESSAVG: 2081000 15.9291 -19.4154 -62.0206 -24.1887 -24.9229 38.0902 -59.8204 43.5962 20.8394 TIMING: 2081000 CPU: 6037.77, 0.00291509/step Wall: 6037.77, 0.00291509/step, 2.36365 hours remaining, 206.644531 MB of memory in use. ENERGY: 2081000 732.7596 2157.1022 1975.4635 116.5360 -206423.1012 17907.5671 0.0000 0.0000 34340.2449 -149193.4278 299.9019 -183533.6728 -149103.8308 299.2488 48.4565 82.8983 557040.6521 3.8030 3.9485 PRESSURE: 2081200 -386.296 -15.3601 68.0922 -15.3599 -58.6968 -31.1403 68.0926 -31.1405 -36.5315 GPRESSURE: 2081200 -384.088 -2.39958 41.7319 -30.4358 -61.2927 -17.1057 125.383 -36.3167 62.5704 PRESSAVG: 2081200 5.21771 -7.53081 -27.0126 -7.53092 -10.0821 20.0729 -27.0126 20.073 18.4632 GPRESSAVG: 2081200 4.07027 -9.28227 -26.3196 -5.93843 -9.8499 21.7829 -29.8061 18.3702 19.343 TIMING: 2081200 CPU: 6038.35, 0.00290794/step Wall: 6038.35, 0.00290794/step, 2.35769 hours remaining, 206.644531 MB of memory in use. ENERGY: 2081200 761.2080 2084.6306 1980.4576 108.3598 -206214.4090 17756.3736 0.0000 0.0000 34315.4241 -149207.9553 299.6851 -183523.3794 -149094.6377 299.4901 -160.5080 -127.6034 558867.8092 4.5329 4.5211 PRESSURE: 2081400 -196.047 -52.6897 -114.142 -52.6913 -251.713 -113.129 -114.142 -113.13 -148.164 GPRESSURE: 2081400 -169.945 -39.9135 -108.312 -67.4904 -274.921 -158.039 -110.448 -147.383 -65.0659 PRESSAVG: 2081400 46.6624 -9.62274 29.1243 -9.62268 15.4835 4.68063 29.1243 4.68054 -38.0363 GPRESSAVG: 2081400 46.2613 -11.1441 27.1027 -8.32753 16.0943 5.19606 31.8711 3.82727 -38.9623 TIMING: 2081400 CPU: 6038.93, 0.00290567/step Wall: 6038.93, 0.00290567/step, 2.35569 hours remaining, 206.644531 MB of memory in use. ENERGY: 2081400 788.9743 2144.4801 1955.7637 114.1529 -206246.7543 17801.6363 0.0000 0.0000 34195.1449 -149246.6021 298.6347 -183441.7470 -149150.7222 299.0525 -198.6416 -169.9774 559892.3255 8.0365 7.7978 PRESSURE: 2081600 -84.2635 49.4703 -36.9051 49.4697 -5.76868 160.647 -36.9058 160.646 -124.434 GPRESSURE: 2081600 -110.862 43.0561 -54.5918 27.2253 57.0821 156.319 -90.8078 99.0692 -67.1509 PRESSAVG: 2081600 99.3342 -53.3727 6.49113 -53.3727 -21.2866 -24.418 6.49109 -24.4181 -54.7671 GPRESSAVG: 2081600 99.6421 -49.5913 5.68778 -57.2243 -22.4955 -24.6198 7.84956 -25.4594 -53.6616 TIMING: 2081600 CPU: 6039.51, 0.00290539/step Wall: 6039.51, 0.00290539/step, 2.3553 hours remaining, 206.906250 MB of memory in use. ENERGY: 2081600 757.1141 2142.7842 1949.3563 111.0746 -206356.0455 17712.3379 0.0000 0.0000 34340.7140 -149342.6645 299.9060 -183683.3785 -149251.7174 298.9725 -71.4886 -40.3101 557931.2046 7.7602 7.8284 PRESSURE: 2081800 39.5102 110.912 50.6112 110.912 85.9425 -68.6732 50.6124 -68.6709 101.963 GPRESSURE: 2081800 -24.4137 33.7402 6.41442 207.372 125.702 33.2418 78.6096 -33.7747 209.802 PRESSAVG: 2081800 14.5097 5.89355 -35.4012 5.89355 -54.6028 -19.1327 -35.4012 -19.1327 41.1333 GPRESSAVG: 2081800 14.19 5.03492 -33.9149 5.43216 -53.8697 -19.2275 -36.9902 -17.2383 40.3231 TIMING: 2081800 CPU: 6040.09, 0.00290231/step Wall: 6040.09, 0.00290231/step, 2.35264 hours remaining, 206.906250 MB of memory in use. ENERGY: 2081800 743.3479 2080.2947 1977.8596 121.5459 -206213.6672 17825.6006 0.0000 0.0000 34269.0424 -149195.9760 299.2801 -183465.0185 -149104.7385 299.0962 75.8051 103.6966 556033.4730 0.3467 0.2145 PRESSURE: 2082000 94.7025 -127.193 -76.3391 -127.192 -105.367 -176.926 -76.3391 -176.925 158.126 GPRESSURE: 2082000 183.305 -72.0188 -240.433 -97.2272 -118.357 -226.409 64.0964 -163.419 173.131 PRESSAVG: 2082000 -24.4865 18.037 41.1933 18.037 33.2402 -80.9135 41.1933 -80.9134 39.0682 GPRESSAVG: 2082000 -23.6424 19.5095 40.9017 20.3357 34.0348 -80.559 41.5695 -83.2555 37.5222 TIMING: 2082000 CPU: 6040.67, 0.0029035/step Wall: 6040.67, 0.0029035/step, 2.35345 hours remaining, 206.906250 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: 2082000 736.3735 2141.9362 1954.6492 108.5751 -206128.1371 17821.9045 0.0000 0.0000 34158.5964 -149206.1023 298.3155 -183364.6986 -149111.0882 299.4567 49.1537 79.3599 555634.1453 15.9406 15.9715 PRESSURE: 2082200 -144.833 84.5501 33.5526 84.5509 82.9514 163.762 33.5523 163.762 -283.137 GPRESSURE: 2082200 -95.6599 88.9749 22.4746 55.052 77.504 198.351 54.3202 179.137 -224.933 PRESSAVG: 2082200 9.57381 -16.6092 22.2732 -16.6093 -34.158 -8.10567 22.2732 -8.10562 69.6762 GPRESSAVG: 2082200 9.06429 -18.6409 21.7561 -16.6847 -34.9815 -7.93159 22.6667 -5.83028 71.2454 TIMING: 2082200 CPU: 6041.25, 0.00290754/step Wall: 6041.25, 0.00290754/step, 2.35656 hours remaining, 206.906250 MB of memory in use. ENERGY: 2082200 735.6094 2133.1548 1973.4287 116.5094 -205836.1492 17433.4967 0.0000 0.0000 34291.3985 -149152.5516 299.4753 -183443.9502 -149054.3111 299.2641 -115.0062 -81.0298 555200.4770 15.0307 15.1094 PRESSURE: 2082400 -257.441 -16.9969 -6.95214 -16.9966 111.709 -104.587 -6.9522 -104.586 107.895 GPRESSURE: 2082400 -162.081 -22.9121 -40.5828 5.42836 110.114 -32.957 7.23218 -94.8896 95.5244 PRESSAVG: 2082400 40.951 -6.76748 17.2652 -6.7675 5.55464 -12.0715 17.2652 -12.0715 -46.1268 GPRESSAVG: 2082400 41.1349 -7.40543 18.4791 -5.73379 5.95975 -13.0861 17.0697 -11.434 -46.3301 TIMING: 2082400 CPU: 6041.83, 0.00290868/step Wall: 6041.83, 0.00290868/step, 2.35732 hours remaining, 206.906250 MB of memory in use. ENERGY: 2082400 744.1448 2116.4484 1957.4780 122.6149 -206254.9166 17789.0598 0.0000 0.0000 34486.4305 -149038.7402 301.1786 -183525.1708 -148943.9024 299.4914 -12.6123 14.5192 555551.2282 0.1263 0.2548 PRESSURE: 2082600 174.191 49.6029 129.314 49.6025 -200.305 -3.04756 129.314 -3.04854 -32.0899 GPRESSURE: 2082600 197.92 44.8503 69.0529 -7.55047 -146.538 4.61848 143.436 71.9165 -13.2161 PRESSAVG: 2082600 81.6482 -0.153047 -57.9955 -0.153071 14.3537 52.0296 -57.9956 52.0295 -81.6955 GPRESSAVG: 2082600 80.7503 -0.0807133 -57.2064 -1.99807 14.9143 50.5729 -59.4474 54.1532 -81.8838 TIMING: 2082600 CPU: 6042.42, 0.00292478/step Wall: 6042.42, 0.00292478/step, 2.37021 hours remaining, 206.906250 MB of memory in use. ENERGY: 2082600 751.2854 2119.3162 1985.8018 108.2928 -206612.4019 18144.8321 0.0000 0.0000 34449.0958 -149053.7778 300.8525 -183502.8736 -148953.4062 299.6067 -19.4015 12.7221 558986.4843 4.7688 4.5936 PRESSURE: 2082800 -44.8805 -26.5209 -103.299 -26.5207 -124.409 19.754 -103.3 19.755 -211.111 GPRESSURE: 2082800 -16.4871 37.0006 -117.816 -18.8142 -57.9819 68.7316 -122.162 31.9972 -206.349 PRESSAVG: 2082800 48.896 30.8106 27.457 30.8107 -44.6134 40.2772 27.4571 40.2771 -29.4831 GPRESSAVG: 2082800 49.8597 29.8918 27.2356 31.6708 -45.2228 43.5154 27.6227 39.0757 -29.9645 TIMING: 2082800 CPU: 6043, 0.00289115/step Wall: 6043, 0.00289115/step, 2.34279 hours remaining, 206.906250 MB of memory in use. ENERGY: 2082800 743.6485 2155.7617 1982.7101 119.5725 -205811.7884 17647.8263 0.0000 0.0000 34243.0366 -148919.2328 299.0530 -183162.2694 -148821.6494 300.3171 -126.7999 -93.6060 559364.2117 -8.4002 -8.4425 PRESSURE: 2083000 -92.375 6.89489 -38.0677 6.89494 -18.143 -23.0423 -38.0671 -23.0421 -110.388 GPRESSURE: 2083000 -67.0792 -30.261 62.4554 79.4359 7.63705 -74.4181 -107.891 41.1722 -77.8253 PRESSAVG: 2083000 41.6666 5.15434 -22.7503 5.15435 1.82278 39.8641 -22.7503 39.8641 -27.5371 GPRESSAVG: 2083000 41.2364 4.81531 -23.5822 6.39026 1.52666 40.6402 -21.8058 38.6457 -26.6165 TIMING: 2083000 CPU: 6043.58, 0.00290032/step Wall: 6043.58, 0.00290032/step, 2.35006 hours remaining, 206.906250 MB of memory in use. ENERGY: 2083000 773.0689 2150.9367 1979.1562 128.3402 -205755.3932 17593.5463 0.0000 0.0000 34167.2062 -148963.1385 298.3907 -183130.3448 -148870.2224 299.8728 -73.6353 -45.7558 558420.0079 5.3174 5.3822 PRESSURE: 2083200 209.954 -14.2819 66.3946 -14.2823 -81.2158 -117.089 66.3949 -117.087 -60.1543 GPRESSURE: 2083200 169.554 32.5839 101.988 -22.23 -0.534933 -155.144 49.5526 -217.361 0.555488 PRESSAVG: 2083200 37.5203 16.2398 -48.7507 16.2399 -40.0085 19.3449 -48.7507 19.345 -11.5869 GPRESSAVG: 2083200 37.9436 18.1135 -47.5955 13.6927 -39.1103 16.9382 -48.7732 18.0274 -13.1186 TIMING: 2083200 CPU: 6044.15, 0.00288127/step Wall: 6044.15, 0.00288127/step, 2.33447 hours remaining, 206.906250 MB of memory in use. ENERGY: 2083200 725.7012 2130.1626 2001.1980 110.3878 -206296.7241 17950.5626 0.0000 0.0000 34395.1827 -148983.5291 300.3817 -183378.7118 -148890.4175 299.9948 22.8613 56.5247 557484.7390 -4.6917 -4.7618 PRESSURE: 2083400 10.1393 40.4917 -35.2905 40.4912 227.979 -78.6801 -35.2923 -78.6815 30.8686 GPRESSURE: 2083400 10.3067 126.321 -127.846 -74.0895 202.234 -44.2175 18.1863 -165.495 152.719 PRESSAVG: 2083400 3.94637 -43.2015 -8.41806 -43.2015 41.6593 4.02167 -8.41817 4.02165 -35.5811 GPRESSAVG: 2083400 3.85416 -42.4923 -8.67315 -42.2472 41.531 4.97469 -9.76331 4.57439 -34.8571 TIMING: 2083400 CPU: 6044.73, 0.00288581/step Wall: 6044.73, 0.00288581/step, 2.33799 hours remaining, 206.906250 MB of memory in use. ENERGY: 2083400 725.8734 2120.4089 1965.9259 126.0736 -206227.3011 17992.9565 0.0000 0.0000 34319.2174 -148976.8454 299.7183 -183296.0628 -148881.1323 300.2702 89.6623 121.7533 557742.8428 3.3415 3.5093 PRESSURE: 2083600 11.434 -180.262 -100.083 -180.261 90.2823 -137.776 -100.085 -137.773 -181.431 GPRESSURE: 2083600 -11.8481 -219.518 -34.6458 -166.127 169.705 -190.149 -141.333 -59.3316 -141.875 PRESSAVG: 2083600 52.0323 16.0959 -45.6232 16.096 -109.976 7.96486 -45.6233 7.96487 1.27949 GPRESSAVG: 2083600 52.162 16.087 -46.7869 16.5865 -110.4 8.7226 -44.8453 9.53347 1.49091 TIMING: 2083600 CPU: 6045.31, 0.00289343/step Wall: 6045.31, 0.00289343/step, 2.344 hours remaining, 206.906250 MB of memory in use. ENERGY: 2083600 739.8634 2063.4886 1947.7916 101.2167 -206232.0358 17863.0826 0.0000 0.0000 34372.6142 -149143.9787 300.1846 -183516.5930 -149047.6169 300.0153 -26.5717 5.3272 556933.4338 -18.8880 -18.9157 PRESSURE: 2083800 94.8136 -8.2787 -155.603 -8.27908 -98.7433 139.288 -155.602 139.287 76.9918 GPRESSURE: 2083800 107.796 -117.475 -83.4223 -11.184 -30.2907 91.2266 -133.397 50.2853 91.2963 PRESSAVG: 2083800 -5.76857 -12.6589 2.29304 -12.6589 29.2866 3.73676 2.29313 3.73677 -31.3241 GPRESSAVG: 2083800 -8.05784 -10.9352 1.94171 -13.8834 31.5165 3.66073 3.36752 1.70646 -31.5662 TIMING: 2083800 CPU: 6045.89, 0.00291721/step Wall: 6045.89, 0.00291721/step, 2.3631 hours remaining, 206.906250 MB of memory in use. ENERGY: 2083800 706.9844 2111.8627 1929.5018 107.8057 -206173.5632 17767.1671 0.0000 0.0000 34294.7306 -149255.5110 299.5044 -183550.2416 -149166.7511 299.2798 24.3540 56.2672 556840.7181 -2.6020 -2.7025 PRESSURE: 2084000 -63.5221 68.8262 138.509 68.8256 -67.6954 -25.0688 138.509 -25.068 -41.9792 GPRESSURE: 2084000 -79.9103 -0.557927 184.269 133.82 -20.3394 -71.5566 105.283 -28.1311 16.0263 PRESSAVG: 2084000 6.65664 -31.2895 -60.1574 -31.2894 -16.1088 -71.021 -60.1573 -71.021 7.34796 GPRESSAVG: 2084000 7.04358 -33.06 -60.5198 -30.265 -16.938 -71.5437 -59.7391 -69.6925 7.51164 TIMING: 2084000 CPU: 6046.47, 0.00290779/step Wall: 6046.47, 0.00290779/step, 2.35531 hours remaining, 206.906250 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: 2084000 740.9462 2133.4509 1971.1290 106.6773 -206120.6113 17675.3337 0.0000 0.0000 34559.9075 -148933.1668 301.8203 -183493.0743 -148834.8838 298.9504 -57.7323 -28.0745 556700.2079 -0.7014 -0.7942 PRESSURE: 2084200 65.0082 19.5724 -14.5347 19.5736 110.046 3.07034 -14.535 3.07219 14.2396 GPRESSURE: 2084200 78.2633 -38.9957 -4.06194 34.5503 132.992 25.7607 -23.0937 4.36819 75.2822 PRESSAVG: 2084200 -81.0997 -35.0997 -39.7013 -35.0996 69.8125 -21.5148 -39.7013 -21.5148 -35.581 GPRESSAVG: 2084200 -80.8868 -36.4091 -40.6825 -34.5315 68.7444 -21.5693 -40.0246 -21.7847 -34.5097 TIMING: 2084200 CPU: 6047.05, 0.00289707/step Wall: 6047.05, 0.00289707/step, 2.34647 hours remaining, 206.906250 MB of memory in use. ENERGY: 2084200 735.7042 2131.7635 1951.6562 123.0525 -206003.0686 17674.8368 0.0000 0.0000 34489.8028 -148896.2528 301.2080 -183386.0556 -148798.6918 300.2570 63.0978 95.5126 556585.1996 -15.6227 -15.5507 LDB: ============= START OF LOAD BALANCING ============== 6050.52 LDB: ============== END OF LOAD BALANCING =============== 6050.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6050.52 LDB: ============= START OF LOAD BALANCING ============== 6050.81 LDB: Largest compute 4821 load 0.030337 is 25.8% of average load 0.117742 LDB: Average compute 0.001718 is 1.5% of average load 0.117742 LDB: TIME 6050.82 LOAD: AVG 0.117742 MAX 0.177279 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.902 MB LDB: TIME 6050.82 LOAD: AVG 0.117742 MAX 0.177279 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: TIME 6050.82 LOAD: AVG 0.117742 MAX 0.177279 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.906 MB LDB: ============== END OF LOAD BALANCING =============== 6050.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6050.82 PRESSURE: 2084400 119.987 89.4824 -101.18 89.4818 194.364 139.883 -101.181 139.882 164.101 GPRESSURE: 2084400 122.149 113.216 -43.8986 73.5654 235.99 131.461 -122.528 236.731 213.488 PRESSAVG: 2084400 11.6013 19.4468 38.6248 19.4468 9.25789 12.3081 38.6247 12.3082 21.9112 GPRESSAVG: 2084400 11.5869 20.3722 40.6849 17.9759 10.4805 14.5291 37.7904 11.7618 20.7097 TIMING: 2084400 CPU: 6047.65, 0.00296685/step Wall: 6047.65, 0.00296685/step, 2.40282 hours remaining, 206.136719 MB of memory in use. ENERGY: 2084400 716.3249 2132.4992 1976.1106 124.1903 -206137.1568 17944.6718 0.0000 0.0000 34279.0777 -148964.2823 299.3677 -183243.3600 -148863.3885 298.8141 159.4843 190.5424 557124.3895 14.2568 14.2590 PRESSURE: 2084600 -21.826 74.3515 35.2953 74.3526 -22.5589 -38.9217 35.295 -38.9214 -74.3145 GPRESSURE: 2084600 9.12336 201.529 63.184 -13.6762 75.7205 -5.48227 4.76596 -6.20475 -98.3488 PRESSAVG: 2084600 -74.8453 13.102 -6.72471 13.102 29.5919 -19.1547 -6.72476 -19.1548 34.3267 GPRESSAVG: 2084600 -73.1423 13.0177 -7.13303 14.239 27.8865 -20.7902 -7.0346 -19.3126 34.5224 TIMING: 2084600 CPU: 6048.23, 0.00291077/step Wall: 6048.23, 0.00291077/step, 2.35724 hours remaining, 206.136719 MB of memory in use. ENERGY: 2084600 770.2066 2120.2042 1985.2281 124.9658 -206294.4135 17844.7165 0.0000 0.0000 34331.0306 -149118.0617 299.8214 -183449.0922 -149021.5153 299.1724 -39.5665 -4.5017 558369.9988 -3.6422 -3.5778 PRESSURE: 2084800 -16.7813 87.3333 -109.204 87.3323 28.7625 -174.866 -109.203 -174.866 18.4862 GPRESSURE: 2084800 -15.7729 38.1072 -212.357 83.5036 67.3944 -149.312 -17.2116 -105.63 71.262 PRESSAVG: 2084800 9.07627 1.24104 19.1952 1.241 -20.3658 -1.918 19.1951 -1.91792 11.0839 GPRESSAVG: 2084800 7.87698 1.38871 18.7528 0.935839 -19.891 -3.98123 19.9405 0.225644 12.2707 TIMING: 2084800 CPU: 6048.81, 0.00290471/step Wall: 6048.81, 0.00290471/step, 2.35217 hours remaining, 206.136719 MB of memory in use. ENERGY: 2084800 743.4806 2066.3185 1994.5496 125.1271 -205862.7223 17602.8584 0.0000 0.0000 34324.6534 -149005.7346 299.7657 -183330.3880 -148911.1366 299.8190 10.1558 40.9612 556369.8543 -0.0685 0.0855 PRESSURE: 2085000 -123.241 107.088 36.5622 107.089 26.2802 -222.832 36.5632 -222.831 24.9273 GPRESSURE: 2085000 -67.7836 100.509 4.90764 121.017 47.5767 -255.596 79.8053 -208.954 35.3481 PRESSAVG: 2085000 -12.3723 46.2567 37.3907 46.2567 5.8072 -46.323 37.3908 -46.323 12.9096 GPRESSAVG: 2085000 -12.054 47.8615 36.5438 45.7363 6.04994 -40.6688 37.6297 -48.2303 11.8498 TIMING: 2085000 CPU: 6049.39, 0.00289765/step Wall: 6049.39, 0.00289765/step, 2.34629 hours remaining, 206.136719 MB of memory in use. ENERGY: 2085000 763.8234 2083.2426 1963.1593 110.3779 -206101.2072 17854.5422 0.0000 0.0000 34269.1839 -149056.8779 299.2813 -183326.0618 -148965.2847 299.9524 -24.0112 5.0471 558128.7705 2.1148 1.9486 PRESSURE: 2085200 163.637 -45.2997 -12.0722 -45.3002 -102.32 91.0987 -12.0703 91.1004 -58.6056 GPRESSURE: 2085200 187.462 4.11817 -48.1494 -30.727 -48.5631 117.537 -70.4001 49.0713 -32.4506 PRESSAVG: 2085200 9.09307 -16.1205 -4.77745 -16.1206 60.9826 -12.1426 -4.7774 -12.1426 -1.14903 GPRESSAVG: 2085200 9.05033 -18.136 -2.60002 -15.7606 61.3079 -14.6947 -6.72312 -11.2093 -1.00144 TIMING: 2085200 CPU: 6049.97, 0.00288615/step Wall: 6049.97, 0.00288615/step, 2.33682 hours remaining, 206.136719 MB of memory in use. ENERGY: 2085200 765.4965 2144.2545 1976.0974 120.3318 -206186.9238 17748.1405 0.0000 0.0000 34414.7062 -149017.8968 300.5522 -183432.6030 -148917.3558 300.1802 0.9039 35.4827 557920.5601 22.9756 23.1189 PRESSURE: 2085400 148.332 -216.626 3.41382 -216.627 -60.6684 208.983 3.41353 208.983 117.889 GPRESSURE: 2085400 146.59 -246.926 60.5923 -184.655 28.0842 120.476 22.5832 245.226 124.796 PRESSAVG: 2085400 20.5945 -11.0012 15.2829 -11.0012 -60.8505 1.57212 15.283 1.57206 26.9902 GPRESSAVG: 2085400 20.4491 -10.0086 13.7147 -10.0313 -60.7704 0.624781 17.4989 2.45844 26.6679 TIMING: 2085400 CPU: 6050.55, 0.00291649/step Wall: 6050.55, 0.00291649/step, 2.36122 hours remaining, 206.136719 MB of memory in use. ENERGY: 2085400 750.7301 2141.4331 1951.1676 132.8147 -205792.4363 17821.7816 0.0000 0.0000 34087.6335 -148906.8757 297.6958 -182994.5092 -148812.6029 300.6713 68.5175 99.8233 558243.5690 -4.4219 -4.5512 PRESSURE: 2085600 66.8141 -101.655 22.1723 -101.653 -253.39 263.523 22.1733 263.522 -319.592 GPRESSURE: 2085600 72.8105 -91.0431 -29.9656 -98.4105 -227.602 316.215 34.206 176.901 -254.322 PRESSAVG: 2085600 91.4755 -54.1184 50.4184 -54.1183 -66.9018 56.6889 50.4184 56.6889 -20.4226 GPRESSAVG: 2085600 92.5634 -53.8982 51.4274 -55.8116 -66.6722 55.0282 48.7919 55.8685 -21.7087 TIMING: 2085600 CPU: 6051.13, 0.00291498/step Wall: 6051.13, 0.00291498/step, 2.35984 hours remaining, 206.136719 MB of memory in use. ENERGY: 2085600 706.2521 2111.3578 1971.7277 130.8350 -205701.4474 17384.4201 0.0000 0.0000 34384.9489 -149011.9058 300.2923 -183396.8547 -148915.4809 299.9707 -168.7227 -136.3713 557899.9509 1.3837 1.3942 PRESSURE: 2085800 -226.449 -43.223 -50.4536 -43.2232 -99.0518 -100.404 -50.4532 -100.402 133.063 GPRESSURE: 2085800 -228.61 -64.3098 -53.2176 12.6309 -5.4728 -27.4811 -5.5033 -106.021 135.367 PRESSAVG: 2085800 -28.5552 -45.5942 6.71221 -45.5942 -31.9679 -1.18846 6.71225 -1.1886 58.6714 GPRESSAVG: 2085800 -30.0767 -47.1169 6.25054 -43.0501 -31.8754 1.4356 8.45708 -2.73938 59.8765 TIMING: 2085800 CPU: 6051.72, 0.00291706/step Wall: 6051.72, 0.00291706/step, 2.36136 hours remaining, 206.136719 MB of memory in use. ENERGY: 2085800 743.1947 2113.4026 1971.0498 117.6367 -206109.6638 17777.1603 0.0000 0.0000 34436.5019 -148950.7178 300.7425 -183387.2197 -148855.4025 299.6796 -64.1459 -32.9052 557263.4499 -0.6172 -0.6919 PRESSURE: 2086000 -40.9387 4.4854 37.1756 4.48551 -117.001 -103.811 37.1748 -103.812 -18.8363 GPRESSURE: 2086000 -47.4832 74.1351 20.4354 8.08138 -9.66895 -57.1667 -7.05885 -181.004 -18.4239 PRESSAVG: 2086000 -30.1184 33.9764 -10.7425 33.9764 56.8911 -11.0127 -10.7425 -11.0128 17.2721 GPRESSAVG: 2086000 -29.9827 36.2441 -7.20621 30.5498 56.7318 -10.2678 -14.7225 -9.86382 17.054 TIMING: 2086000 CPU: 6052.3, 0.00289396/step Wall: 6052.3, 0.00289397/step, 2.3425 hours remaining, 206.136719 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: 2086000 754.0529 2132.1648 1964.5702 111.3415 -205904.8004 17748.6714 0.0000 0.0000 34202.2454 -148991.7541 298.6967 -183193.9995 -148888.8077 300.1845 -58.9254 -25.1920 557871.9520 14.6816 14.6011 PRESSURE: 2086200 -36.8831 32.0739 -212.914 32.0734 223.877 -145.773 -212.912 -145.772 151.958 GPRESSURE: 2086200 10.6073 51.7354 -205.967 7.28651 223.26 -179.069 -229.605 -150.674 197.819 PRESSAVG: 2086200 -65.7413 -40.9968 -64.8324 -40.9969 28.5041 -16.6757 -64.8323 -16.6757 54.4788 GPRESSAVG: 2086200 -64.8214 -44.7785 -69.416 -39.5461 27.9654 -15.7498 -61.522 -18.1344 54.0752 TIMING: 2086200 CPU: 6052.88, 0.00289968/step Wall: 6052.88, 0.00289968/step, 2.34697 hours remaining, 206.281250 MB of memory in use. ENERGY: 2086200 743.4177 2174.9496 1971.5693 105.9848 -206250.3960 17774.0462 0.0000 0.0000 34424.3492 -149056.0792 300.6364 -183480.4284 -148953.0182 299.6595 112.9838 143.8952 556441.8290 5.7472 5.7397 PRESSURE: 2086400 49.6464 38.283 131.861 38.284 -183.898 16.7613 131.862 16.7616 52.4833 GPRESSURE: 2086400 96.7586 105.368 169.57 66.8366 -190.162 -26.5724 195.378 45.7748 120.1 PRESSAVG: 2086400 10.3801 -23.3111 -17.2381 -23.3111 24.0859 -12.3122 -17.238 -12.3122 -43.1657 GPRESSAVG: 2086400 10.1125 -21.3986 -15.9356 -23.8225 24.382 -14.0418 -19.6288 -10.9677 -43.1619 TIMING: 2086400 CPU: 6053.46, 0.00290137/step Wall: 6053.46, 0.00290137/step, 2.34818 hours remaining, 206.281250 MB of memory in use. ENERGY: 2086400 735.7434 2118.1151 1951.5209 117.3625 -206118.3726 17708.6732 0.0000 0.0000 34437.3246 -149049.6330 300.7497 -183486.9576 -148952.1841 300.0130 -27.2562 8.8987 556761.9295 -2.8999 -2.8891 PRESSURE: 2086600 -93.1992 53.1354 133.662 53.1359 159.565 -41.168 133.662 -41.1687 159.384 GPRESSURE: 2086600 -100.967 49.8505 110.768 42.5978 246.608 -65.1849 91.0703 25.8617 166.902 PRESSAVG: 2086600 2.33057 -17.8159 -25.0429 -17.8158 4.46533 -6.8257 -25.043 -6.82565 2.32929 GPRESSAVG: 2086600 1.75093 -17.0957 -24.4615 -18.7806 3.69188 -6.80063 -24.4029 -6.36318 3.38869 TIMING: 2086600 CPU: 6054.03, 0.00288538/step Wall: 6054.03, 0.00288538/step, 2.33508 hours remaining, 206.281250 MB of memory in use. ENERGY: 2086600 684.2476 2096.7256 1942.7823 116.7457 -206025.1163 17745.6830 0.0000 0.0000 34241.1422 -149197.7898 299.0364 -183438.9320 -149101.7979 300.0089 75.2499 104.1812 557292.1807 3.0417 2.9438 PRESSURE: 2086800 -33.4163 -101.848 -43.4792 -101.847 -222.259 -7.42101 -43.4766 -7.41926 -110.887 GPRESSURE: 2086800 6.29132 -106.952 -68.4327 -129.091 -195.906 -38.5728 -11.2057 2.92496 -74.53 PRESSAVG: 2086800 -6.77564 -29.5673 -1.34668 -29.5673 -7.78545 -4.92358 -1.34673 -4.92354 39.9873 GPRESSAVG: 2086800 -6.72604 -29.8992 -1.73282 -29.0986 -6.85352 -4.86157 -0.82711 -4.14521 39.5414 TIMING: 2086800 CPU: 6054.61, 0.00289138/step Wall: 6054.61, 0.00289138/step, 2.33977 hours remaining, 206.281250 MB of memory in use. ENERGY: 2086800 727.7568 2115.3237 1946.8347 116.5100 -206077.3989 17803.8313 0.0000 0.0000 34176.8889 -149190.2537 298.4753 -183367.1425 -149089.7467 299.3173 -122.1873 -88.0482 559859.3890 8.4754 8.6539 PRESSURE: 2087000 -261.866 -258.745 -220.697 -258.747 101.312 27.9404 -220.699 27.9389 299.851 GPRESSURE: 2087000 -194.04 -240.254 -204.092 -290.31 126.411 61.9024 -157.81 15.0633 306.812 PRESSAVG: 2087000 35.748 -40.4011 -23.104 -40.4011 -46.3373 12.5461 -23.104 12.5461 -20.2419 GPRESSAVG: 2087000 35.8981 -39.628 -21.5742 -41.318 -46.5469 11.525 -23.3519 11.6733 -20.6746 TIMING: 2087000 CPU: 6055.19, 0.00290606/step Wall: 6055.19, 0.00290606/step, 2.35149 hours remaining, 206.281250 MB of memory in use. ENERGY: 2087000 754.0995 2059.1744 1959.0164 112.9297 -206130.3420 17890.7448 0.0000 0.0000 34036.4387 -149317.9384 297.2487 -183354.3771 -149227.3993 299.4887 46.4324 79.7280 556716.4074 -10.2771 -10.4411 PRESSURE: 2087200 -79.2817 187.046 -131.862 187.046 290.998 262.77 -131.861 262.77 -164.57 GPRESSURE: 2087200 -57.5951 178.085 -77.2336 201.389 262.174 266.269 -99.1191 227.753 -70.6805 PRESSAVG: 2087200 -1.78573 -34.829 1.39592 -34.829 22.4079 28.8604 1.39598 28.8605 26.5814 GPRESSAVG: 2087200 -1.5461 -35.1515 1.14055 -33.5354 22.6751 29.1382 1.01644 29.924 26.8624 TIMING: 2087200 CPU: 6055.78, 0.00292913/step Wall: 6055.78, 0.00292913/step, 2.36999 hours remaining, 206.281250 MB of memory in use. ENERGY: 2087200 724.3239 2065.0558 1915.9851 120.1537 -206370.5375 17862.9790 0.0000 0.0000 34352.7386 -149329.3013 300.0110 -183682.0399 -149230.7508 299.1953 15.7156 44.6329 557122.8748 15.7345 15.9972 PRESSURE: 2087400 98.4905 98.6188 44.6081 98.6195 -39.8646 -23.4109 44.6084 -23.4124 -193.192 GPRESSURE: 2087400 103.322 66.8255 -19.0629 1.26163 -40.7103 -87.2071 82.1735 2.42715 -103.298 PRESSAVG: 2087400 -23.186 10.9561 44.3826 10.9561 28.5545 25.1594 44.3826 25.1595 -31.7707 GPRESSAVG: 2087400 -22.6872 9.8514 42.6705 12.1303 27.4405 24.6873 46.9881 24.6374 -31.4115 TIMING: 2087400 CPU: 6056.36, 0.00291715/step Wall: 6056.36, 0.00291715/step, 2.36014 hours remaining, 206.281250 MB of memory in use. ENERGY: 2087400 747.5721 2082.7201 1908.9335 112.8344 -206317.7512 17796.6282 0.0000 0.0000 34382.4646 -149286.5983 300.2706 -183669.0629 -149190.5391 299.3912 -44.8554 -13.5621 556249.8647 -8.8008 -8.8861 PRESSURE: 2087600 -30.2824 19.2129 21.9027 19.2113 27.3713 -227.494 21.9021 -227.495 -80.5462 GPRESSURE: 2087600 -33.9928 18.2416 64.1911 46.8335 79.4967 -234.028 -10.9058 -242.175 -35.033 PRESSAVG: 2087600 22.6323 45.9716 -2.23942 45.9716 -29.7721 -40.1751 -2.23952 -40.1753 6.57912 GPRESSAVG: 2087600 21.5428 46.9718 -0.919091 43.0509 -29.5274 -39.8276 -4.27965 -38.8295 7.25525 TIMING: 2087600 CPU: 6056.94, 0.00289565/step Wall: 6056.94, 0.00289565/step, 2.34258 hours remaining, 206.281250 MB of memory in use. ENERGY: 2087600 741.3265 2084.6296 1948.8233 118.6397 -206137.7608 17646.9397 0.0000 0.0000 34401.5320 -149195.8700 300.4371 -183597.4019 -149093.5240 299.9448 -27.8191 3.4903 556727.3682 -0.1869 -0.2431 PRESSURE: 2087800 148.265 -45.687 -51.2788 -45.6852 -275.018 -72.2408 -51.2804 -72.2414 147.951 GPRESSURE: 2087800 207.956 -158.554 8.21132 -32.0877 -248.871 -172.685 -37.5442 -24.6625 170.149 PRESSAVG: 2087800 5.98116 -72.3129 37.3021 -72.3129 -6.53083 -44.6462 37.302 -44.6462 29.3501 GPRESSAVG: 2087800 7.79883 -74.6185 36.8431 -69.219 -6.51527 -44.8493 37.1533 -45.0381 27.4005 TIMING: 2087800 CPU: 6057.52, 0.0029006/step Wall: 6057.52, 0.0029006/step, 2.34642 hours remaining, 206.281250 MB of memory in use. ENERGY: 2087800 712.0839 2057.7757 1966.2639 121.2871 -206338.7655 17778.5767 0.0000 0.0000 34399.2401 -149303.5381 300.4171 -183702.7782 -149202.4314 299.1541 7.0661 43.0780 556420.2753 9.6001 9.5613 PRESSURE: 2088000 117.378 79.2939 38.1989 79.2943 -128.549 176.858 38.1987 176.86 -63.7322 GPRESSURE: 2088000 197.227 154.156 23.5112 28.0929 -110.275 156.52 30.0505 181.634 -68.84 PRESSAVG: 2088000 20.8498 23.5111 -24.5231 23.5111 -17.1493 -14.0941 -24.523 -14.0939 -20.5183 GPRESSAVG: 2088000 20.8133 27.6813 -24.6227 21.1926 -16.9907 -14.958 -22.2465 -14.075 -20.0528 TIMING: 2088000 CPU: 6058.1, 0.00290772/step Wall: 6058.1, 0.00290772/step, 2.35202 hours remaining, 206.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2088000 736.1423 2080.3008 1969.9440 103.0806 -206294.9748 17801.6110 0.0000 0.0000 34385.0283 -149218.8678 300.2930 -183603.8962 -149125.8199 299.1701 -24.9679 6.0373 557275.0833 -5.6059 -5.4101 PRESSURE: 2088200 63.5487 -51.5333 -177.584 -51.533 32.6199 91.351 -177.585 91.3496 5.02922 GPRESSURE: 2088200 58.8484 -78.3092 -126.395 -53.3244 64.6256 61.913 -169.059 143.495 71.9271 PRESSAVG: 2088200 104.446 21.559 -18.472 21.5591 12.5825 24.6279 -18.4719 24.6279 -63.897 GPRESSAVG: 2088200 104.001 18.5888 -17.6758 23.7021 12.9688 27.6794 -20.9129 23.3659 -63.4472 TIMING: 2088200 CPU: 6058.68, 0.0028966/step Wall: 6058.68, 0.0028966/step, 2.34287 hours remaining, 206.281250 MB of memory in use. ENERGY: 2088200 757.4898 2058.2795 1941.8944 105.4669 -205921.4525 17643.3545 0.0000 0.0000 34234.9637 -149180.0036 298.9825 -183414.9674 -149083.0760 298.6682 33.7326 65.1337 556220.8226 17.7106 17.8409 LDB: ============= START OF LOAD BALANCING ============== 6062.15 LDB: ============== END OF LOAD BALANCING =============== 6062.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6062.15 LDB: ============= START OF LOAD BALANCING ============== 6062.44 LDB: Largest compute 4821 load 0.030366 is 25.8% of average load 0.117736 LDB: Average compute 0.001719 is 1.5% of average load 0.117736 LDB: TIME 6062.44 LOAD: AVG 0.117736 MAX 0.17719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 6062.44 LOAD: AVG 0.117736 MAX 0.17719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 6062.44 LOAD: AVG 0.117736 MAX 0.17719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 6062.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6062.45 PRESSURE: 2088400 112.303 -30.5764 -4.23065 -30.5766 -66.5812 140.985 -4.2309 140.986 312.961 GPRESSURE: 2088400 194.078 -15.1775 -1.60281 45.764 -58.392 162.217 -11.0289 57.4564 320.156 PRESSAVG: 2088400 0.883367 -17.8162 -27.3496 -17.816 93.8771 -25.2346 -27.3496 -25.2346 -78.8181 GPRESSAVG: 2088400 1.15539 -16.7659 -28.3756 -18.7929 92.3771 -27.2574 -27.12 -25.0989 -77.6722 TIMING: 2088400 CPU: 6059.27, 0.00295321/step Wall: 6059.27, 0.00295321/step, 2.38849 hours remaining, 206.378906 MB of memory in use. ENERGY: 2088400 753.3303 2105.4142 1931.3309 123.6070 -206238.0381 18060.6932 0.0000 0.0000 34070.7049 -149192.9577 297.5479 -183263.6626 -149103.3154 299.5092 119.5609 151.9474 558430.7138 5.3141 5.2868 PRESSURE: 2088600 11.3392 -181.322 -172.507 -181.322 -240.298 117.475 -172.506 117.474 -76.0617 GPRESSURE: 2088600 80.9677 -170.068 -219.033 -175.207 -186.055 71.0487 -61.9401 115.85 -90.7064 PRESSAVG: 2088600 6.52126 -10.8162 2.24035 -10.8161 -28.4469 16.2794 2.2404 16.2794 73.2957 GPRESSAVG: 2088600 7.35407 -10.851 0.93339 -10.2038 -26.9067 17.5049 3.24239 15.57 71.6083 TIMING: 2088600 CPU: 6059.85, 0.00290005/step Wall: 6059.85, 0.00290005/step, 2.34533 hours remaining, 206.449219 MB of memory in use. ENERGY: 2088600 764.0057 2068.9604 1932.4498 115.4444 -205658.5405 17562.3274 0.0000 0.0000 34007.7282 -149207.6245 296.9979 -183215.3527 -149106.1704 299.4684 -101.6735 -65.2646 556353.2581 17.1234 17.3519 PRESSURE: 2088800 -6.68731 -81.0363 5.75039 -81.0354 -54.9978 -76.2195 5.75001 -76.2187 292.934 GPRESSURE: 2088800 17.6004 -7.97537 142.899 -154.955 26.3568 -68.0923 -118.401 -79.098 266.749 PRESSAVG: 2088800 -16.323 -73.6317 3.35224 -73.6316 -26.9443 -40.2656 3.35232 -40.2656 43.8246 GPRESSAVG: 2088800 -16.8954 -70.6944 5.4599 -76.3556 -26.7925 -40.4399 1.33659 -40.6646 44.0401 TIMING: 2088800 CPU: 6060.43, 0.00290471/step Wall: 6060.43, 0.00290471/step, 2.34895 hours remaining, 206.449219 MB of memory in use. ENERGY: 2088800 718.7635 2068.6479 1937.6061 120.4746 -206375.3937 17799.0601 0.0000 0.0000 34292.4319 -149438.4096 299.4843 -183730.8415 -149336.0122 298.6990 77.0830 103.5686 556708.2033 0.1858 0.1174 PRESSURE: 2089000 -63.3663 -90.4104 -111.602 -90.4107 -242.355 -58.5659 -111.602 -58.5655 -475.063 GPRESSURE: 2089000 -31.8542 -74.285 11.5242 -124.402 -253.91 -62.548 -148.695 -36.5142 -402.587 PRESSAVG: 2089000 30.1642 -52.7296 -18.5383 -52.7297 -14.1869 -31.9075 -18.5383 -31.9074 -4.97133 GPRESSAVG: 2089000 30.0773 -53.1049 -20.8015 -52.3289 -14.9193 -32.39 -16.8679 -30.3625 -4.57369 TIMING: 2089000 CPU: 6061.02, 0.00291431/step Wall: 6061.02, 0.00291431/step, 2.35654 hours remaining, 206.449219 MB of memory in use. ENERGY: 2089000 759.4096 2137.4323 1959.2099 117.0776 -206086.2905 17463.8353 0.0000 0.0000 34131.8083 -149517.5175 298.0816 -183649.3258 -149426.9985 299.0272 -260.2613 -229.4506 555939.9002 3.6687 3.5281 PRESSURE: 2089200 -259.872 -61.6634 -110.4 -61.6626 -210.959 60.4352 -110.401 60.4349 -143.828 GPRESSURE: 2089200 -212.326 -21.857 -60.6545 -148.744 -161.396 64.8237 -130.22 33.8277 -140.252 PRESSAVG: 2089200 -34.4621 -35.29 -61.6272 -35.29 45.0732 20.4173 -61.6273 20.4174 8.42805 GPRESSAVG: 2089200 -34.2493 -35.6489 -60.0338 -32.9866 45.829 21.8983 -62.1502 20.1665 7.4953 TIMING: 2089200 CPU: 6061.6, 0.00289363/step Wall: 6061.6, 0.00289363/step, 2.33966 hours remaining, 206.449219 MB of memory in use. ENERGY: 2089200 724.8391 2118.8918 1957.1245 102.4911 -206275.0596 17611.8471 0.0000 0.0000 34258.8054 -149501.0607 299.1907 -183759.8661 -149403.7133 298.9602 -204.8860 -171.3246 558097.6456 6.3464 6.3583 PRESSURE: 2089400 27.9629 -79.1175 -2.87653 -79.1191 91.5077 -21.6483 -2.8765 -21.6491 38.4197 GPRESSURE: 2089400 45.0844 -91.3222 -79.6114 -28.2814 80.4713 -58.2602 96.4581 30.2135 133.831 PRESSAVG: 2089400 -19.2248 74.9364 18.5635 74.9365 -1.88524 4.06434 18.5634 4.06442 19.2279 GPRESSAVG: 2089400 -18.3634 74.5526 17.9461 74.6369 -3.87287 2.87285 19.0349 3.88801 20.0218 TIMING: 2089400 CPU: 6062.18, 0.0029029/step Wall: 6062.18, 0.0029029/step, 2.34699 hours remaining, 206.449219 MB of memory in use. ENERGY: 2089400 742.2131 2088.9531 1991.3712 110.3588 -206284.5049 17829.8622 0.0000 0.0000 34080.6807 -149441.0657 297.6351 -183521.7464 -149341.0221 298.6065 52.6301 86.4624 556326.9756 -0.6274 -0.7382 PRESSURE: 2089600 124.415 58.8387 74.2684 58.8393 -30.9987 -150.071 74.2689 -150.071 260.89 GPRESSURE: 2089600 153.892 25.3304 83.0782 71.7782 23.3876 -171.279 87.6355 -59.6361 275.131 PRESSAVG: 2089600 -8.56049 17.1713 -35.7991 17.1712 -39.4197 -12.6322 -35.7991 -12.6322 -0.390084 GPRESSAVG: 2089600 -9.89216 16.0141 -33.6808 15.807 -38.3815 -12.4534 -35.7743 -13.0452 0.286471 TIMING: 2089600 CPU: 6062.76, 0.00290258/step Wall: 6062.76, 0.00290258/step, 2.34657 hours remaining, 206.710938 MB of memory in use. ENERGY: 2089600 718.3871 2104.1277 1959.2034 121.0897 -206702.1696 17976.0784 0.0000 0.0000 34514.4143 -149308.8689 301.4230 -183823.2832 -149218.7740 299.3718 118.1022 150.8034 556991.7580 -16.1234 -15.9957 PRESSURE: 2089800 -89.8681 194.197 31.3687 194.197 7.95196 3.55708 31.3681 3.55736 89.4367 GPRESSURE: 2089800 -12.2849 250.462 86.3901 174.316 40.2048 33.9152 -62.8391 5.21591 91.9665 PRESSAVG: 2089800 15.8322 -8.53595 -50.3949 -8.53604 28.7663 -31.7231 -50.3949 -31.7231 -40.4896 GPRESSAVG: 2089800 15.6991 -9.67633 -50.5345 -6.86906 29.2565 -32.4764 -50.6616 -30.561 -40.8942 TIMING: 2089800 CPU: 6063.34, 0.00291094/step Wall: 6063.34, 0.00291094/step, 2.35317 hours remaining, 206.710938 MB of memory in use. ENERGY: 2089800 750.4981 2053.8420 1964.2192 111.4345 -206466.6787 17746.9373 0.0000 0.0000 34344.0374 -149495.7102 299.9350 -183839.7476 -149404.2970 298.8655 2.5069 39.9621 555192.1281 1.3696 1.3538 PRESSURE: 2090000 -409.831 26.1287 129.092 26.1277 136.15 -101.308 129.091 -101.308 -49.2756 GPRESSURE: 2090000 -332.25 49.4598 72.5056 -0.538551 86.2436 -58.6472 109.213 -176.857 21.4718 PRESSAVG: 2090000 -19.7005 18.9467 -9.17673 18.9468 37.2977 -45.382 -9.17678 -45.382 -11.1655 GPRESSAVG: 2090000 -19.0693 18.7754 -10.4751 18.4135 36.947 -45.6997 -9.04772 -46.4824 -11.5472 TIMING: 2090000 CPU: 6063.92, 0.0029187/step Wall: 6063.92, 0.0029187/step, 2.35928 hours remaining, 206.710938 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: 2090000 747.5574 2107.9567 1941.2582 109.7028 -206314.3454 17612.5149 0.0000 0.0000 34288.1573 -149507.1981 299.4470 -183795.3554 -149410.0263 299.5786 -107.6520 -74.8449 555291.2181 2.1439 2.1102 PRESSURE: 2090200 -70.1439 95.4032 35.4603 95.4024 -16.4886 -233.497 35.4594 -233.499 -237.524 GPRESSURE: 2090200 -80.7248 81.0217 10.6186 58.0288 44.4003 -279.898 -17.3045 -202.858 -185.752 PRESSAVG: 2090200 -72.2937 -16.3298 46.1437 -16.3298 69.5999 -85.2155 46.1436 -85.2155 -39.1837 GPRESSAVG: 2090200 -72.7136 -14.5004 46.0909 -16.3072 69.7354 -84.6066 45.428 -83.3647 -39.0688 TIMING: 2090200 CPU: 6064.5, 0.0028833/step Wall: 6064.5, 0.0028833/step, 2.33051 hours remaining, 206.710938 MB of memory in use. ENERGY: 2090200 731.4100 2052.5556 1962.3974 110.2778 -206186.3151 17742.1833 0.0000 0.0000 34031.1027 -149556.3883 297.2021 -183587.4910 -149458.0149 298.2469 -108.0523 -74.0255 558181.8021 -13.9592 -14.0157 PRESSURE: 2090400 27.6918 15.1717 82.849 15.1726 -140.011 -86.6102 82.8498 -86.6095 -125.258 GPRESSURE: 2090400 47.3285 28.1733 51.996 15.2909 -97.9456 -205.595 127.134 -84.9489 -81.428 PRESSAVG: 2090400 -29.5589 -15.6903 12.1504 -15.6903 78.3256 -17.6763 12.1504 -17.6764 -52.8959 GPRESSAVG: 2090400 -28.8092 -17.4917 11.9121 -15.6837 77.8614 -18.4397 13.5722 -17.7036 -52.6124 TIMING: 2090400 CPU: 6065.08, 0.00288519/step Wall: 6065.08, 0.00288519/step, 2.33187 hours remaining, 206.914062 MB of memory in use. ENERGY: 2090400 726.4626 2079.6868 1953.8416 118.3043 -206229.5790 17738.0969 0.0000 0.0000 34072.4312 -149540.7557 297.5630 -183613.1869 -149443.6197 298.3970 -79.1925 -44.0150 556882.4533 -1.3764 -1.1867 PRESSURE: 2090600 -76.8896 87.6488 38.4596 87.6502 -166.046 39.7829 38.4593 39.782 -174.748 GPRESSURE: 2090600 -49.539 92.0729 72.6674 59.9719 -194.699 30.0214 11.1734 55.5536 -76.5759 PRESSAVG: 2090600 -0.68682 -20.435 -7.32051 -20.4349 69.6597 -21.1681 -7.32048 -21.1681 -89.6242 GPRESSAVG: 2090600 -1.63203 -17.6367 -7.35547 -22.3029 70.4775 -20.3438 -8.67706 -22.0536 -89.6851 TIMING: 2090600 CPU: 6065.66, 0.0029108/step Wall: 6065.66, 0.0029108/step, 2.35241 hours remaining, 206.914062 MB of memory in use. ENERGY: 2090600 758.5388 2093.6884 1966.5958 124.0592 -206511.8089 17773.6934 0.0000 0.0000 34062.7884 -149732.4448 297.4788 -183795.2332 -149634.8216 297.9815 -139.2280 -106.9378 558874.1184 -6.8838 -6.9465 PRESSURE: 2090800 -117.364 -39.0772 75.771 -39.0779 146.57 -157.997 75.7715 -157.996 -48.2388 GPRESSURE: 2090800 -74.9336 -115.588 112.514 -22.1131 194.297 -240.444 108.139 -109.072 -45.1268 PRESSAVG: 2090800 5.80388 -0.57192 -20.9267 -0.572007 85.5613 -9.51064 -20.9268 -9.51071 -16.8906 GPRESSAVG: 2090800 6.37816 -3.5116 -19.861 1.28469 85.7734 -9.2367 -22.4849 -10.6156 -17.6528 TIMING: 2090800 CPU: 6066.24, 0.0029175/step Wall: 6066.24, 0.0029175/step, 2.35767 hours remaining, 206.914062 MB of memory in use. ENERGY: 2090800 742.8768 2089.2706 1951.9115 118.4388 -206565.7686 17842.8389 0.0000 0.0000 34160.7898 -149659.6422 298.3347 -183820.4320 -149559.0081 297.8985 -6.3441 24.7454 556457.6170 24.8249 24.8329 PRESSURE: 2091000 47.7389 -17.1464 130.021 -17.1462 230.176 -2.40586 130.021 -2.40549 -104.583 GPRESSURE: 2091000 85.2132 -24.8791 146.39 67.7977 209.583 51.8637 98.5927 -101.643 -14.4562 PRESSAVG: 2091000 -43.2213 -0.550502 38.407 -0.550536 75.4803 -26.3816 38.4069 -26.3815 -34.2654 GPRESSAVG: 2091000 -42.6621 1.89579 39.6747 -1.17822 75.6 -27.3284 38.3068 -24.8616 -34.4554 TIMING: 2091000 CPU: 6066.82, 0.00289472/step Wall: 6066.82, 0.00289472/step, 2.3391 hours remaining, 206.914062 MB of memory in use. ENERGY: 2091000 762.9343 2104.4730 1913.9139 105.0072 -206689.0474 18183.5356 0.0000 0.0000 34262.6061 -149356.5772 299.2239 -183619.1833 -149259.4232 298.6223 57.7772 93.4467 556524.0975 -0.6688 -0.5058 PRESSURE: 2091200 82.6223 -67.5704 59.9358 -67.5702 -14.4643 96.7468 59.9368 96.748 -121.811 GPRESSURE: 2091200 108.011 65.6052 36.8992 9.66085 63.8869 87.4104 107.961 151.783 -127.188 PRESSAVG: 2091200 32.7289 -9.40621 15.3747 -9.40628 43.1096 7.89489 15.3747 7.89508 -41.6843 GPRESSAVG: 2091200 33.2051 -10.5149 13.2299 -7.33037 42.8567 8.06697 16.2285 6.00252 -41.6842 TIMING: 2091200 CPU: 6067.4, 0.00289849/step Wall: 6067.4, 0.00289849/step, 2.34198 hours remaining, 206.914062 MB of memory in use. ENERGY: 2091200 780.6737 2146.8250 1934.0946 104.8076 -206209.4495 17813.8298 0.0000 0.0000 34102.9145 -149326.3044 297.8292 -183429.2189 -149232.4337 298.9202 -17.8844 14.9032 556572.4086 11.3847 11.4592 PRESSURE: 2091400 -38.9152 -104.909 25.9607 -104.908 -123.935 -157.208 25.96 -157.208 66.8869 GPRESSURE: 2091400 -44.8099 -12.3445 -2.51851 -162.775 -92.2926 -88.9664 71.1772 -96.7203 146.158 PRESSAVG: 2091400 2.32595 7.55893 22.6977 7.55901 -30.5895 -0.367961 22.6977 -0.367974 0.993345 GPRESSAVG: 2091400 3.40245 11.4608 21.8197 4.04399 -30.423 1.27648 22.733 -0.12934 -0.0726535 TIMING: 2091400 CPU: 6067.98, 0.00289542/step Wall: 6067.98, 0.00289542/step, 2.33934 hours remaining, 206.914062 MB of memory in use. ENERGY: 2091400 786.0511 2101.2748 1948.0536 130.8352 -206348.9901 17768.8139 0.0000 0.0000 34278.2705 -149335.6910 299.3607 -183613.9616 -149239.5548 299.2760 -31.9879 3.0184 555716.7714 -9.0901 -9.0311 PRESSURE: 2091600 -106.677 61.4564 9.5325 61.4568 -108.07 116.642 9.53141 116.641 -69.336 GPRESSURE: 2091600 -87.4085 149.8 -14.5269 -24.6091 -62.0313 77.0674 68.4746 177.207 -44.893 PRESSAVG: 2091600 37.7719 68.7459 -84.4265 68.7458 -12.833 26.5675 -84.4265 26.5675 35.549 GPRESSAVG: 2091600 34.726 65.5029 -80.8981 72.8156 -12.6939 25.3181 -87.0304 25.3675 37.4331 TIMING: 2091600 CPU: 6068.56, 0.00290053/step Wall: 6068.56, 0.00290053/step, 2.34331 hours remaining, 206.914062 MB of memory in use. ENERGY: 2091600 723.2275 2092.4702 1966.3955 111.7602 -206310.1701 17681.5889 0.0000 0.0000 34264.8969 -149469.8309 299.2439 -183734.7278 -149376.0915 299.1474 -94.6943 -64.7776 556063.1659 20.1626 19.8217 PRESSURE: 2091800 371.561 21.1056 89.6006 21.1056 -93.2719 -57.492 89.6004 -57.4918 -131.842 GPRESSURE: 2091800 374.168 55.7206 161.127 -68.261 -29.1846 -104.532 64.387 -13.3333 -113.4 PRESSAVG: 2091800 23.4031 2.00666 -5.65567 2.00676 5.5971 14.5376 -5.65566 14.5376 -5.06807 GPRESSAVG: 2091800 25.3697 2.25522 -8.36298 -1.25416 5.34089 14.2345 -5.07752 15.6919 -6.79999 TIMING: 2091800 CPU: 6069.14, 0.00291049/step Wall: 6069.14, 0.00291049/step, 2.35119 hours remaining, 206.914062 MB of memory in use. ENERGY: 2091800 723.6718 2057.1031 1952.0061 114.3856 -206586.8200 17832.0522 0.0000 0.0000 34221.0997 -149686.5016 298.8614 -183907.6013 -149598.3060 298.6823 48.8156 77.1945 556688.9492 7.9774 7.9702 PRESSURE: 2092000 -371.276 114.478 27.1942 114.48 131.944 -119.45 27.1941 -119.449 72.5438 GPRESSURE: 2092000 -335.984 80.3813 17.9033 145.733 158.384 -82.3606 30.4278 -84.336 102.904 PRESSAVG: 2092000 -39.5888 14.6551 10.4778 14.6551 9.24303 -8.4353 10.4777 -8.43518 8.38459 GPRESSAVG: 2092000 -39.1825 15.5705 12.3169 14.8394 8.80286 -6.1904 11.4119 -9.50714 8.41255 TIMING: 2092000 CPU: 6069.72, 0.00291342/step Wall: 6069.72, 0.00291342/step, 2.3534 hours remaining, 206.914062 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: 2092000 746.9422 2069.0125 1924.3417 116.1373 -206726.2854 17876.2880 0.0000 0.0000 34389.3122 -149604.2515 300.3304 -183993.5637 -149505.4275 297.6677 -55.5962 -24.8984 556935.5619 -7.3204 -7.3224 PRESSURE: 2092200 304.534 224.89 -42.066 224.89 -121.586 59.7219 -42.0646 59.7207 -83.5924 GPRESSURE: 2092200 358.858 142.607 -42.4169 291.322 -107.906 81.5173 -28.2572 74.0412 -60.4775 PRESSAVG: 2092200 43.0617 -7.00153 -3.86941 -7.0016 -29.7346 7.26088 -3.8693 7.26098 36.6918 GPRESSAVG: 2092200 42.9996 -8.022 -4.748 -5.2723 -29.9056 5.03663 -5.72455 8.7447 36.8731 TIMING: 2092200 CPU: 6070.31, 0.00290759/step Wall: 6070.31, 0.00290759/step, 2.34852 hours remaining, 206.914062 MB of memory in use. ENERGY: 2092200 777.1374 2096.9350 1961.0019 121.5429 -206424.3591 17911.1344 0.0000 0.0000 34157.8265 -149398.7809 298.3088 -183556.6075 -149303.7588 298.1656 33.1183 63.4916 556412.1154 16.6730 16.6557 LDB: ============= START OF LOAD BALANCING ============== 6073.78 LDB: ============== END OF LOAD BALANCING =============== 6073.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6073.78 LDB: ============= START OF LOAD BALANCING ============== 6074.07 LDB: Largest compute 4820 load 0.030456 is 25.9% of average load 0.117813 LDB: Average compute 0.001715 is 1.5% of average load 0.117813 LDB: TIME 6074.07 LOAD: AVG 0.117813 MAX 0.178173 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.188 MB LDB: TIME 6074.07 LOAD: AVG 0.117813 MAX 0.178173 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: TIME 6074.07 LOAD: AVG 0.117813 MAX 0.178173 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: ============== END OF LOAD BALANCING =============== 6074.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6074.08 PRESSURE: 2092400 32.1503 -70.4524 -102.398 -70.4508 154.117 56.7654 -102.399 56.765 119.403 GPRESSURE: 2092400 108.316 1.50215 -13.618 -50.0809 169.572 76.6954 -182.441 98.374 133.505 PRESSAVG: 2092400 62.2071 39.3903 -33.2646 39.3902 -72.6261 29.9563 -33.2645 29.9564 22.4794 GPRESSAVG: 2092400 60.6859 40.9561 -34.3062 35.7091 -71.2364 28.2252 -32.5826 32.1277 22.9594 TIMING: 2092400 CPU: 6070.9, 0.00298859/step Wall: 6070.9, 0.00298859/step, 2.41379 hours remaining, 206.648438 MB of memory in use. ENERGY: 2092400 698.2249 2051.4041 1949.4574 123.7805 -206570.2561 17976.7887 0.0000 0.0000 34443.7813 -149326.8193 300.8061 -183770.6005 -149230.0370 298.6899 101.8901 137.1310 554933.5584 4.0201 4.1363 PRESSURE: 2092600 -1.37056 29.3147 -2.4255 29.3144 -208.012 -60.938 -2.42514 -60.9375 250.201 GPRESSURE: 2092600 51.1506 42.4245 -41.1696 80.131 -163.716 -98.7317 72.2237 -33.7736 254.268 PRESSAVG: 2092600 -55.5567 4.97203 33.5503 4.97191 35.8833 -34.7459 33.5504 -34.7459 36.8642 GPRESSAVG: 2092600 -55.099 5.50699 31.659 8.27997 34.5595 -32.7767 36.5876 -35.4517 36.5488 TIMING: 2092600 CPU: 6071.48, 0.00290661/step Wall: 6071.48, 0.00290661/step, 2.34741 hours remaining, 206.921875 MB of memory in use. ENERGY: 2092600 750.7729 2047.4868 1962.7814 108.7135 -206619.3348 18143.2801 0.0000 0.0000 34160.7043 -149445.5957 298.3339 -183606.3001 -149342.6654 298.9110 13.6061 47.2342 558520.5198 5.7303 5.3365 PRESSURE: 2092800 -155.855 234.617 -16.1423 234.616 -94.3293 81.5856 -16.1431 81.5847 1.24281 GPRESSURE: 2092800 -145.023 241.204 38.3711 192.23 -78.7251 80.5635 -29.6223 53.3633 62.8917 PRESSAVG: 2092800 1.99679 31.1132 42.0028 31.1132 21.8456 -49.8068 42.0027 -49.8068 31.8798 GPRESSAVG: 2092800 0.626561 29.6798 43.2978 29.9644 23.1498 -49.1442 38.2927 -50.5868 31.6794 TIMING: 2092800 CPU: 6072.06, 0.00289257/step Wall: 6072.06, 0.00289257/step, 2.33591 hours remaining, 206.921875 MB of memory in use. ENERGY: 2092800 722.8929 2135.9643 1955.3409 102.4289 -206189.5848 17725.7720 0.0000 0.0000 34178.2307 -149368.9552 298.4870 -183547.1859 -149276.4534 299.2340 -82.9806 -53.6189 558397.9475 18.5741 18.4852 PRESSURE: 2093000 -118.79 94.9021 -23.419 94.9017 -450.305 -55.8354 -23.4195 -55.8356 -195.014 GPRESSURE: 2093000 -115.754 111.758 15.17 85.1977 -402.453 -129.662 42.5636 40.872 -135.505 PRESSAVG: 2093000 1.58485 65.6252 30.0465 65.6251 17.4983 9.38705 30.0463 9.38708 0.843466 GPRESSAVG: 2093000 2.64041 68.3735 31.3992 65.1491 16.4101 7.84455 31.9205 9.09937 1.53994 TIMING: 2093000 CPU: 6072.64, 0.00289486/step Wall: 6072.64, 0.00289486/step, 2.3376 hours remaining, 206.921875 MB of memory in use. ENERGY: 2093000 740.5802 2065.3919 1982.4865 110.8242 -206082.1319 17525.2812 0.0000 0.0000 34132.2021 -149525.3657 298.0850 -183657.5678 -149426.6675 298.6949 -254.7033 -217.9040 556842.9514 6.6422 6.8635 PRESSURE: 2093200 47.623 -54.2372 -58.0683 -54.2384 -37.5481 -64.3739 -58.0678 -64.3737 -112.866 GPRESSURE: 2093200 79.1412 38.7061 -65.1968 -164.077 -10.5114 -81.6043 -85.9263 -30.1469 -89.7167 PRESSAVG: 2093200 -31.2519 17.3744 34.8225 17.3743 -11.2507 17.023 34.8225 17.023 40.8373 GPRESSAVG: 2093200 -31.9879 15.7822 35.6793 18.144 -11.1057 18.3222 35.2516 17.1045 41.5502 TIMING: 2093200 CPU: 6073.22, 0.00286665/step Wall: 6073.22, 0.00286665/step, 2.31466 hours remaining, 206.921875 MB of memory in use. ENERGY: 2093200 752.6209 2081.9050 1943.8340 118.1726 -206563.4161 17940.0899 0.0000 0.0000 34126.8632 -149599.9306 298.0384 -183726.7938 -149505.0100 298.3858 -34.2637 -7.0290 558000.0533 -0.5551 -0.5145 PRESSURE: 2093400 -146.403 -70.6636 51.3691 -70.664 -31.8295 2.07374 51.369 2.0731 -426.395 GPRESSURE: 2093400 -123.284 -111.668 51.3375 1.07149 -5.54497 -28.919 13.049 29.3524 -386.996 PRESSAVG: 2093400 -29.9898 -40.5278 -24.6529 -40.5278 -5.0102 -34.4776 -24.653 -34.4776 35.2693 GPRESSAVG: 2093400 -31.8535 -42.9018 -27.5383 -39.6551 -3.93283 -34.5557 -23.4008 -34.3166 35.8804 TIMING: 2093400 CPU: 6073.8, 0.00289811/step Wall: 6073.8, 0.00289811/step, 2.33991 hours remaining, 206.921875 MB of memory in use. ENERGY: 2093400 776.2418 2128.0835 1956.3331 95.9777 -206417.4544 17697.5144 0.0000 0.0000 34098.0026 -149665.3012 297.7863 -183763.3038 -149571.7608 298.2007 -201.5427 -171.9419 557119.3741 0.0898 0.0313 PRESSURE: 2093600 188.946 -57.931 -12.4378 -57.93 4.76568 -163.482 -12.4378 -163.484 78.6725 GPRESSURE: 2093600 216.478 -10.084 -23.5175 -13.1554 -2.20899 -203.466 -30.4392 -244.482 158.427 PRESSAVG: 2093600 -30.6303 -15.8302 12.1192 -15.8302 -19.5304 -17.5029 12.1191 -17.5028 57.6211 GPRESSAVG: 2093600 -28.6713 -13.4274 13.7138 -16.9403 -20.352 -18.0875 11.5193 -18.1332 56.5025 TIMING: 2093600 CPU: 6074.37, 0.00287293/step Wall: 6074.37, 0.00287293/step, 2.31942 hours remaining, 206.921875 MB of memory in use. ENERGY: 2093600 750.0211 2119.3875 1965.3809 102.4490 -206880.0547 17991.5747 0.0000 0.0000 34240.3327 -149710.9088 299.0293 -183951.2415 -149609.7947 297.3735 90.7948 124.2320 555597.5417 2.4868 2.4931 PRESSURE: 2093800 59.6437 -13.1284 45.3714 -13.1283 -24.0394 125.815 45.3729 125.816 -55.5701 GPRESSURE: 2093800 0.00159984 51.0167 93.4813 -30.2021 47.4669 91.4428 34.469 135.42 33.359 PRESSAVG: 2093800 20.8162 26.9488 79.7872 26.9488 -52.0694 -22.3041 79.7872 -22.304 11.8233 GPRESSAVG: 2093800 21.7388 27.7386 79.3588 26.2238 -51.9501 -23.442 79.3449 -22.9127 10.9105 TIMING: 2093800 CPU: 6074.95, 0.00288909/step Wall: 6074.95, 0.00288909/step, 2.33229 hours remaining, 206.921875 MB of memory in use. ENERGY: 2093800 736.7458 2096.2320 1921.3866 117.4228 -206542.6260 17771.6224 0.0000 0.0000 34184.6333 -149714.5831 298.5429 -183899.2164 -149618.6898 297.9400 -6.6553 26.9425 557187.3168 -6.4767 -6.4336 PRESSURE: 2094000 -101.229 0.873546 -19.1073 0.873434 102.487 77.3124 -19.1071 77.31 -51.9498 GPRESSURE: 2094000 -98.3841 34.1148 -118.924 9.11365 109.846 95.5218 69.7014 114.865 35.6754 PRESSAVG: 2094000 -2.71777 18.9195 21.7308 18.9195 -56.9187 36.8594 21.7307 36.8594 54.9096 GPRESSAVG: 2094000 -3.95382 16.7716 21.4335 19.9229 -56.384 38.9982 21.194 36.5046 55.3934 TIMING: 2094000 CPU: 6075.53, 0.00289253/step Wall: 6075.53, 0.00289253/step, 2.33492 hours remaining, 206.921875 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: 2094000 728.8301 2094.3193 1977.6759 118.6288 -206488.4714 17866.5778 0.0000 0.0000 34089.2914 -149613.1482 297.7103 -183702.4396 -149514.7406 297.2834 -16.8974 15.7124 556590.9370 -1.5756 -1.6481 PRESSURE: 2094200 115.327 -170.213 -47.4585 -170.215 36.4302 -223.11 -47.459 -223.11 -184.611 GPRESSURE: 2094200 152.388 -137.813 15.5037 -102.931 60.9375 -182.211 -100.691 -262.324 -151.9 PRESSAVG: 2094200 83.9318 30.8766 -22.0904 30.8766 -41.9442 40.4545 -22.0904 40.4546 -15.5587 GPRESSAVG: 2094200 83.9539 32.3082 -23.2577 29.5362 -42.5226 39.782 -21.5218 41.3917 -15.3054 TIMING: 2094200 CPU: 6076.11, 0.0029044/step Wall: 6076.11, 0.0029044/step, 2.34434 hours remaining, 206.921875 MB of memory in use. ENERGY: 2094200 742.5689 2132.3873 1976.9752 107.6663 -206584.1821 17962.7162 0.0000 0.0000 34021.9160 -149639.9522 297.1219 -183661.8683 -149543.2564 297.7516 -10.9513 20.4754 557176.1647 8.8097 8.7086 PRESSURE: 2094400 -53.7929 64.0673 64.038 64.0668 -104.754 -244.837 64.0385 -244.838 -125.221 GPRESSURE: 2094400 -1.3691 38.3056 25.8469 5.57891 -128.791 -164.669 135.011 -235.905 -54.747 PRESSAVG: 2094400 -4.88137 -24.4417 -7.04903 -24.4418 -76.0603 -18.8281 -7.04905 -18.8281 41.4717 GPRESSAVG: 2094400 -3.52474 -23.3269 -3.54736 -23.2602 -76.6339 -19.0891 -9.43965 -18.9229 41.5301 TIMING: 2094400 CPU: 6076.69, 0.00289687/step Wall: 6076.69, 0.00289687/step, 2.3381 hours remaining, 206.921875 MB of memory in use. ENERGY: 2094400 758.6000 2079.6685 1938.4722 103.2702 -206533.4024 17901.2302 0.0000 0.0000 34195.7435 -149556.4177 298.6399 -183752.1612 -149460.0922 297.9264 -94.5894 -61.6357 556244.7740 -13.1566 -12.8762 PRESSURE: 2094600 -33.3782 -10.0124 -86.2589 -10.013 -43.1428 37.7327 -86.258 37.7323 -23.9536 GPRESSURE: 2094600 13.853 -72.9469 -133.32 -5.02696 -66.6964 18.4633 -53.3463 41.3715 34.0806 PRESSAVG: 2094600 -9.92389 65.2495 26.5338 65.2495 -19.6689 -11.8664 26.5338 -11.8664 29.6409 GPRESSAVG: 2094600 -11.1602 64.8723 23.0208 64.2633 -18.0807 -11.7359 28.4019 -13.5743 28.9952 TIMING: 2094600 CPU: 6077.27, 0.00289631/step Wall: 6077.27, 0.00289631/step, 2.33748 hours remaining, 206.921875 MB of memory in use. ENERGY: 2094600 740.9943 2048.2976 1959.2036 119.8017 -206159.4850 17676.7478 0.0000 0.0000 34057.0191 -149557.4209 297.4284 -183614.4400 -149461.8587 298.1647 -33.4915 -6.2543 555611.1575 0.0160 -0.0819 PRESSURE: 2094800 -104.46 82.0548 -3.93143 82.0543 -268.186 -141.315 -3.93032 -141.315 44.1063 GPRESSURE: 2094800 -104.864 91.0146 -41.7565 75.9915 -201.277 -174.46 47.9464 -164.042 65.4985 PRESSAVG: 2094800 -9.18332 16.9599 -21.4669 16.9599 -38.6734 1.08538 -21.4668 1.08538 58.4736 GPRESSAVG: 2094800 -9.28074 18.0137 -19.2081 16.9435 -39.7439 1.69418 -21.5944 2.94815 59.8179 TIMING: 2094800 CPU: 6077.84, 0.00288325/step Wall: 6077.84, 0.00288325/step, 2.32678 hours remaining, 206.921875 MB of memory in use. ENERGY: 2094800 770.5744 2071.7644 1939.0663 112.7087 -206727.1847 17972.3752 0.0000 0.0000 34213.7440 -149646.9517 298.7971 -183860.6957 -149546.7832 298.1939 -109.5135 -80.2141 557768.7971 3.5390 3.5978 PRESSURE: 2095000 -78.4463 259.075 83.7604 259.075 -382.477 131.83 83.7614 131.832 -149.967 GPRESSURE: 2095000 -20.2104 244.951 -38.3063 308.197 -396.307 106.764 225.802 212.768 -103.806 PRESSAVG: 2095000 24.7942 -10.3983 -51.3945 -10.3983 -71.6585 21.1632 -51.3945 21.1633 18.458 GPRESSAVG: 2095000 25.2459 -13.299 -51.7199 -9.01673 -71.1358 19.0218 -50.5042 22.8519 17.6312 TIMING: 2095000 CPU: 6078.43, 0.00293001/step Wall: 6078.43, 0.00293001/step, 2.36436 hours remaining, 206.921875 MB of memory in use. ENERGY: 2095000 776.3259 2026.9639 1994.8633 117.7951 -206224.4047 17723.7621 0.0000 0.0000 34141.4595 -149443.2349 298.1659 -183584.6943 -149348.1104 298.4381 -203.6302 -173.4410 558484.0562 -9.4688 -9.4196 PRESSURE: 2095200 -418.583 78.2202 45.8757 78.2194 -279.398 29.9525 45.8749 29.9523 -212.657 GPRESSURE: 2095200 -379.728 109.918 75.1104 124.961 -214.738 89.8398 5.1174 -16.551 -209.903 PRESSAVG: 2095200 28.422 9.49993 32.569 9.50001 -7.79786 44.0672 32.5689 44.0671 -14.5838 GPRESSAVG: 2095200 27.4628 10.6457 32.708 7.96247 -7.58539 47.5488 32.2877 40.8189 -13.9725 TIMING: 2095200 CPU: 6079.01, 0.00290967/step Wall: 6079.01, 0.00290967/step, 2.34778 hours remaining, 206.921875 MB of memory in use. ENERGY: 2095200 719.6040 2099.2177 1989.2059 106.4385 -206364.5712 17627.3539 0.0000 0.0000 34484.4318 -149338.3193 301.1611 -183822.7511 -149239.7401 298.4444 -303.5459 -268.1232 559633.2249 2.0135 1.9683 PRESSURE: 2095400 19.378 35.7402 31.5728 35.741 -44.9876 73.1502 31.5742 73.151 -258.082 GPRESSURE: 2095400 67.4389 72.8752 39.3921 11.1843 -48.3007 103.053 -15.4962 -58.6371 -205.21 PRESSAVG: 2095400 22.908 31.2875 -1.59199 31.2875 46.0958 24.3365 -1.592 24.3366 -37.2812 GPRESSAVG: 2095400 22.6367 32.0673 -2.05815 28.7544 45.5779 23.0204 -1.53281 24.8631 -37.0151 TIMING: 2095400 CPU: 6079.59, 0.00290733/step Wall: 6079.59, 0.00290733/step, 2.34573 hours remaining, 206.921875 MB of memory in use. ENERGY: 2095400 744.2644 2143.1003 1945.0759 107.3255 -206572.2846 17850.4352 0.0000 0.0000 34387.4209 -149394.6623 300.3139 -183782.0832 -149305.6387 299.5025 -94.5639 -62.0239 557772.6772 10.5742 10.3998 PRESSURE: 2095600 -165.404 -2.76017 46.6686 -2.76075 -360.301 -81.2514 46.6675 -81.2501 -95.635 GPRESSURE: 2095600 -126.757 -45.8312 11.9889 -90.6919 -333.654 -63.073 43.8074 -36.3697 -59.2759 PRESSAVG: 2095600 -12.3127 11.0969 8.91485 11.0969 -53.5276 -7.01662 8.915 -7.01669 59.5992 GPRESSAVG: 2095600 -12.2512 8.22529 9.42214 14.964 -53.1912 -8.49572 9.54688 -4.59022 58.9817 TIMING: 2095600 CPU: 6080.17, 0.00290486/step Wall: 6080.17, 0.00290486/step, 2.34358 hours remaining, 206.921875 MB of memory in use. ENERGY: 2095600 732.5746 2076.5526 1953.2825 108.4227 -206167.2253 17681.4126 0.0000 0.0000 34300.7345 -149314.2459 299.5568 -183614.9803 -149216.4948 299.0944 -207.1132 -173.2291 559036.3469 -2.0804 -2.1536 PRESSURE: 2095800 155.667 -86.0761 -148.57 -86.0779 -8.34733 39.8735 -148.568 39.8747 140.773 GPRESSURE: 2095800 210.579 -161.108 -83.2632 -54.3728 35.3703 -5.44228 -149.679 19.8041 137.128 PRESSAVG: 2095800 -31.7956 6.13801 10.3211 6.13807 13.0315 -0.794722 10.3212 -0.794643 29.3224 GPRESSAVG: 2095800 -32.103 8.36974 8.7465 4.41593 13.487 -2.00443 10.062 -1.74957 28.9734 TIMING: 2095800 CPU: 6080.75, 0.00289699/step Wall: 6080.75, 0.00289699/step, 2.33707 hours remaining, 206.921875 MB of memory in use. ENERGY: 2095800 718.0115 2056.4140 1947.0785 101.4753 -206297.4575 18003.9456 0.0000 0.0000 34194.1136 -149276.4190 298.6257 -183470.5325 -149179.5486 299.1005 96.0309 127.6924 557229.2419 3.5194 3.4525 PRESSURE: 2096000 9.71518 -13.5431 -55.1798 -13.5432 164.584 175.915 -55.1804 175.915 -272.304 GPRESSURE: 2096000 48.107 26.4278 -44.1609 -56.5764 160.145 192.829 3.54205 196.02 -196.154 PRESSAVG: 2096000 -33.5912 -42.1934 -25.1802 -42.1935 38.2897 -42.712 -25.1802 -42.712 24.2657 GPRESSAVG: 2096000 -34.327 -43.7379 -24.1227 -42.8533 37.2539 -40.6195 -25.2686 -43.7192 25.6257 TIMING: 2096000 CPU: 6081.33, 0.00290778/step Wall: 6081.33, 0.00290778/step, 2.34561 hours remaining, 206.921875 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: 2096000 730.1497 2065.9320 1983.0099 102.3193 -205971.0201 17859.4950 0.0000 0.0000 34133.8387 -149096.2755 298.0993 -183230.1142 -149004.9772 298.7531 -32.6683 4.0324 559256.0672 9.6548 9.5175 PRESSURE: 2096200 55.7058 80.2226 -139.293 80.2244 384.612 -80.8849 -139.293 -80.8836 -138.032 GPRESSURE: 2096200 90.9664 133.559 -43.9012 57.5528 365.869 -127.069 -90.2795 -78.6416 -65.3048 PRESSAVG: 2096200 67.6238 -3.01391 -14.5242 -3.01387 35.4907 -10.0831 -14.5242 -10.0832 -33.1401 GPRESSAVG: 2096200 67.6811 -3.30757 -12.9393 0.0421471 36.3381 -9.89987 -15.1719 -8.70354 -34.4219 TIMING: 2096200 CPU: 6081.91, 0.00289346/step Wall: 6081.91, 0.00289346/step, 2.3339 hours remaining, 206.921875 MB of memory in use. ENERGY: 2096200 736.8685 2032.0095 1956.8597 119.7450 -206100.4713 17863.2299 0.0000 0.0000 34433.4769 -148958.2818 300.7161 -183391.7587 -148863.5186 300.0689 100.7622 130.5100 556972.7927 23.3248 23.1991 LDB: ============= START OF LOAD BALANCING ============== 6085.38 LDB: ============== END OF LOAD BALANCING =============== 6085.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6085.38 LDB: ============= START OF LOAD BALANCING ============== 6085.67 LDB: Largest compute 4821 load 0.029399 is 25.0% of average load 0.117703 LDB: Average compute 0.001715 is 1.5% of average load 0.117703 LDB: TIME 6085.68 LOAD: AVG 0.117703 MAX 0.179032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 6085.68 LOAD: AVG 0.117703 MAX 0.179032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 6085.68 LOAD: AVG 0.117703 MAX 0.179032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: ============== END OF LOAD BALANCING =============== 6085.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6085.68 PRESSURE: 2096400 -162.993 58.7647 17.8131 58.764 -63.1129 71.2689 17.8136 71.2695 -59.7667 GPRESSURE: 2096400 -162.755 26.3516 -16.4684 36.8815 -11.7428 24.8894 1.25095 77.2607 -14.035 PRESSAVG: 2096400 25.4923 7.79344 32.9616 7.79344 54.0122 5.10556 32.9617 5.10564 -53.9373 GPRESSAVG: 2096400 26.8114 8.12213 32.4633 5.83673 53.3744 3.85365 32.8595 5.26032 -54.1943 TIMING: 2096400 CPU: 6082.51, 0.00297114/step Wall: 6082.51, 0.00297114/step, 2.39639 hours remaining, 207.417969 MB of memory in use. ENERGY: 2096400 743.4854 2058.6872 1973.9640 111.9164 -205871.8831 17624.4895 0.0000 0.0000 34345.9148 -149013.4258 299.9514 -183359.3406 -148917.1278 300.0212 -95.2909 -62.8442 558486.3244 8.5224 8.6639 PRESSURE: 2096600 -173.863 -10.9242 -13.1588 -10.9236 28.0143 -59.9905 -13.1599 -59.9902 97.5789 GPRESSURE: 2096600 -87.5236 31.3559 28.1194 -56.0514 13.5795 -60.9221 1.89652 -66.4458 110.26 PRESSAVG: 2096600 -20.6908 -37.7235 19.7019 -37.7234 -1.40624 2.97233 19.7018 2.97233 9.3808 GPRESSAVG: 2096600 -22.039 -37.9154 19.1392 -37.2071 -0.964278 3.84834 20.2176 1.88177 10.5928 TIMING: 2096600 CPU: 6083.09, 0.00289608/step Wall: 6083.09, 0.00289608/step, 2.33569 hours remaining, 207.558594 MB of memory in use. ENERGY: 2096600 713.2554 2095.2169 1936.1750 117.3633 -205980.2881 17721.5315 0.0000 0.0000 34315.3958 -149081.3502 299.6849 -183396.7460 -148980.1416 299.7478 -16.0900 12.1052 558806.6976 -4.2388 -4.1368 PRESSURE: 2096800 -341.667 129.969 92.4357 129.97 -373.723 -69.8984 92.4368 -69.9001 -274.055 GPRESSURE: 2096800 -339.473 122.469 185.457 185.415 -327.989 -73.9389 12.7152 -79.2486 -225.531 PRESSAVG: 2096800 -0.940283 -15.0085 59.9517 -15.0085 -109.946 -10.0798 59.9517 -10.0797 102.315 GPRESSAVG: 2096800 -0.0664516 -13.6913 61.278 -15.9828 -110.169 -10.1911 59.6441 -9.27395 102.129 TIMING: 2096800 CPU: 6083.67, 0.00292039/step Wall: 6083.67, 0.00292039/step, 2.35513 hours remaining, 207.558594 MB of memory in use. ENERGY: 2096800 744.8441 2099.3972 1960.8642 115.9616 -205694.9210 17522.1497 0.0000 0.0000 34235.6443 -149016.0600 298.9884 -183251.7043 -148919.7165 298.8696 -329.8149 -297.6642 560325.9904 -2.8570 -2.7024 PRESSURE: 2097000 238.915 127.443 61.2255 127.443 203.035 67.2142 61.2252 67.2143 281.483 GPRESSURE: 2097000 275.621 114.187 18.0083 118.275 240.161 115.966 109.288 100.824 301.271 PRESSAVG: 2097000 46.777 -9.81799 -14.1022 -9.81795 -75.4108 39.8674 -14.1023 39.8673 35.4331 GPRESSAVG: 2097000 44.8683 -12.7084 -14.0976 -6.70362 -73.8235 38.1626 -15.44 40.2758 35.6911 TIMING: 2097000 CPU: 6084.25, 0.00290919/step Wall: 6084.25, 0.00290919/step, 2.34594 hours remaining, 207.558594 MB of memory in use. ENERGY: 2097000 709.8955 2055.5769 1950.5275 114.2679 -206434.7373 18193.5948 0.0000 0.0000 34441.0320 -148969.8427 300.7821 -183410.8747 -148879.6532 299.6356 241.1444 272.3510 558648.8415 2.2664 2.2453 PRESSURE: 2097200 217.816 -9.68634 93.9863 -9.68612 -49.9412 -67.4355 93.9861 -67.4351 -60.745 GPRESSURE: 2097200 222.542 -68.0397 25.0281 -15.5516 24.4224 -38.3463 238.04 -55.3061 -42.7913 PRESSAVG: 2097200 6.20355 41.1105 -52.8858 41.1105 -28.395 0.352322 -52.8857 0.352302 1.22642 GPRESSAVG: 2097200 7.59159 43.2085 -57.9073 38.2708 -28.829 0.987785 -47.0649 -1.34696 0.261576 TIMING: 2097200 CPU: 6084.83, 0.00289451/step Wall: 6084.83, 0.00289451/step, 2.33394 hours remaining, 207.558594 MB of memory in use. ENERGY: 2097200 746.3927 2097.4124 1951.0741 111.9495 -206101.0473 17940.8649 0.0000 0.0000 34184.8499 -149068.5039 298.5448 -183253.3538 -148971.3544 299.2684 35.7101 68.0576 558793.5356 -6.9883 -6.9920 PRESSURE: 2097400 -112.249 -26.8363 -95.4241 -26.8367 -165.177 -110.87 -95.4233 -110.871 -41.0968 GPRESSURE: 2097400 -83.3337 -15.7727 -69.2876 -37.3459 -134.213 -97.1445 -173.784 -147.472 2.4937 PRESSAVG: 2097400 7.7158 -60.2512 -6.44902 -60.251 -102.877 24.5474 -6.44894 24.5474 81.5102 GPRESSAVG: 2097400 7.80585 -61.6404 -2.68037 -59.0387 -103.068 24.8355 -9.8812 24.6051 81.7535 TIMING: 2097400 CPU: 6085.41, 0.00288451/step Wall: 6085.41, 0.00288451/step, 2.32571 hours remaining, 207.558594 MB of memory in use. ENERGY: 2097400 759.3442 2073.8492 1987.1526 116.6633 -205974.7251 17634.5344 0.0000 0.0000 34440.0939 -148963.0875 300.7739 -183403.1814 -148861.2425 299.8327 -106.1744 -71.6845 558227.5346 -4.5503 -4.5031 PRESSURE: 2097600 0.755869 -108.417 100.119 -108.418 -73.7868 -109.156 100.118 -109.155 -131.797 GPRESSURE: 2097600 -6.92117 -120.834 47.6476 -31.2321 -72.7204 2.71211 150.897 -84.0553 -26.1445 PRESSAVG: 2097600 6.45533 -67.4957 5.153 -67.4957 6.10269 4.7104 5.15296 4.71052 7.54379 GPRESSAVG: 2097600 6.07186 -66.3028 4.02097 -69.4388 5.68644 4.96359 4.80538 5.49566 8.43775 TIMING: 2097600 CPU: 6085.99, 0.00288765/step Wall: 6085.99, 0.00288765/step, 2.32809 hours remaining, 207.558594 MB of memory in use. ENERGY: 2097600 721.8308 2142.7646 2001.9346 124.9242 -205905.5721 17612.3758 0.0000 0.0000 34159.0926 -149142.6495 298.3199 -183301.7422 -149050.3182 300.0390 -68.2758 -35.2620 557521.1741 6.7006 6.7320 PRESSURE: 2097800 -30.0946 13.6924 -137.74 13.6933 -88.058 67.1049 -137.741 67.1035 169.862 GPRESSURE: 2097800 54.812 33.2561 -58.1692 17.5127 -62.1192 63.9543 -248.626 130.097 157.167 PRESSAVG: 2097800 -72.4429 -52.7853 1.87062 -52.7853 20.469 -34.3452 1.87067 -34.3452 42.1793 GPRESSAVG: 2097800 -71.9094 -54.2631 2.80857 -50.4292 20.0483 -35.2558 1.52152 -33.294 42.5125 TIMING: 2097800 CPU: 6086.56, 0.0028911/step Wall: 6086.56, 0.0028911/step, 2.33071 hours remaining, 207.558594 MB of memory in use. ENERGY: 2097800 751.2791 2129.9345 1943.0783 123.5514 -206380.6434 17863.5907 0.0000 0.0000 34416.0822 -149153.1272 300.5642 -183569.2094 -149058.7435 299.9322 17.2363 49.9531 556083.6111 -3.2649 -3.1162 PRESSURE: 2098000 -38.0381 99.9292 -3.06417 99.9314 -16.2056 46.4543 -3.06474 46.4558 -20.7728 GPRESSURE: 2098000 -34.4552 122.085 55.2701 31.0245 88.6628 -45.1804 -37.338 44.4101 -29.134 PRESSAVG: 2098000 67.0429 -21.7997 -2.32205 -21.7997 -101.623 2.28929 -2.32212 2.28935 26.4485 GPRESSAVG: 2098000 67.8989 -22.107 -3.00296 -20.2331 -100.973 4.00982 -1.9861 0.718475 25.0022 TIMING: 2098000 CPU: 6087.14, 0.00289842/step Wall: 6087.14, 0.00289842/step, 2.33645 hours remaining, 207.558594 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: 2098000 723.9054 2109.2272 1960.7416 120.6938 -206331.7147 17815.7666 0.0000 0.0000 34203.1047 -149398.2754 298.7042 -183601.3802 -149300.2281 299.5677 -25.0055 8.3578 557048.5624 -2.7107 -2.6906 PRESSURE: 2098200 244.175 30.5577 41.4321 30.5584 205.288 -39.7885 41.4303 -39.7855 192.263 GPRESSURE: 2098200 222.841 54.6485 53.5371 -21.7593 219.235 -108.337 -10.4694 -54.9694 303.603 PRESSAVG: 2098200 55.0349 16.7529 17.9447 16.7528 -18.963 -19.8762 17.9446 -19.8761 -3.21247 GPRESSAVG: 2098200 52.549 17.5174 18.6268 13.6417 -18.6064 -22.4876 17.8891 -18.2882 -1.07439 TIMING: 2098200 CPU: 6087.72, 0.00287946/step Wall: 6087.72, 0.00287946/step, 2.321 hours remaining, 207.558594 MB of memory in use. ENERGY: 2098200 744.4448 2104.4356 1943.3472 106.2106 -207120.7229 18333.2072 0.0000 0.0000 34259.8094 -149629.2680 299.1994 -183889.0774 -149539.9744 298.9154 213.9083 248.5599 555725.0771 10.9531 10.9561 PRESSURE: 2098400 -36.0366 21.1582 -167.342 21.1587 267.822 -30.9229 -167.342 -30.9229 63.1437 GPRESSURE: 2098400 -30.9735 -42.7068 -64.4256 67.9729 283.83 6.50061 -139.049 -14.4026 137.838 PRESSAVG: 2098400 -36.2113 -37.8484 -25.5974 -37.8484 69.8975 -15.831 -25.5974 -15.8311 -15.9532 GPRESSAVG: 2098400 -34.7338 -37.2171 -26.6639 -37.2565 68.7949 -12.5097 -25.0692 -16.2405 -16.2268 TIMING: 2098400 CPU: 6088.3, 0.00290816/step Wall: 6088.3, 0.00290817/step, 2.34398 hours remaining, 207.558594 MB of memory in use. ENERGY: 2098400 757.6440 2091.1645 1955.9882 99.1957 -206889.4434 18145.7661 0.0000 0.0000 33990.6077 -149849.0773 296.8484 -183839.6850 -149757.8827 297.7191 98.3095 130.2315 556417.2872 5.9110 5.9448 PRESSURE: 2098600 226.842 115.674 99.8681 115.675 2.35598 -139.32 99.8685 -139.32 -89.2855 GPRESSURE: 2098600 274.666 137.207 69.5255 98.636 -20.7955 -132.86 133.524 -163.682 -16.3605 PRESSAVG: 2098600 -19.2741 21.8214 38.0886 21.8213 82.4691 -26.7585 38.0886 -26.7586 -23.7104 GPRESSAVG: 2098600 -18.5888 20.8841 37.5196 22.0285 82.937 -28.1839 38.8279 -27.0745 -24.3867 TIMING: 2098600 CPU: 6088.88, 0.00291094/step Wall: 6088.88, 0.00291094/step, 2.34605 hours remaining, 207.558594 MB of memory in use. ENERGY: 2098600 718.1262 2108.1665 1971.3283 112.1261 -206199.5721 17805.3674 0.0000 0.0000 33783.7840 -149700.6735 295.0422 -183484.4575 -149610.5506 297.8739 46.6373 79.1698 556597.1011 13.1615 13.3205 PRESSURE: 2098800 -273.034 126.124 19.5886 126.125 -140.267 -77.7209 19.5888 -77.721 -251.418 GPRESSURE: 2098800 -217.126 42.3701 -69.1675 171.062 -86.3523 -97.4041 25.0098 -29.9713 -257.249 PRESSAVG: 2098800 42.7109 25.5347 8.9604 25.5347 -24.7838 -0.781549 8.96036 -0.781564 -9.17313 GPRESSAVG: 2098800 42.2054 24.5093 8.92897 27.0845 -24.2864 -2.31718 7.65454 -2.26779 -8.83501 TIMING: 2098800 CPU: 6089.46, 0.00289774/step Wall: 6089.46, 0.00289774/step, 2.33526 hours remaining, 207.558594 MB of memory in use. ENERGY: 2098800 756.5656 2054.6095 1967.1745 110.2557 -206030.6893 17407.0362 0.0000 0.0000 34075.5972 -149659.4506 297.5907 -183735.0478 -149566.3687 297.3411 -221.5730 -186.9091 556335.5904 2.9180 3.0280 PRESSURE: 2099000 148.197 52.3153 -90.4347 52.3163 -86.0384 26.5465 -90.4352 26.5468 -31.3994 GPRESSURE: 2099000 203.103 9.19673 -27.869 99.9535 -41.2916 -23.6772 -51.5281 -36.8736 -40.9193 PRESSAVG: 2099000 -28.4328 0.646307 -25.2699 0.646236 -27.7594 9.98855 -25.2698 9.98847 20.6084 GPRESSAVG: 2099000 -28.2744 2.33638 -25.8809 -2.12037 -27.6482 10.4988 -26.6146 11.7926 21.0438 TIMING: 2099000 CPU: 6090.04, 0.00288279/step Wall: 6090.04, 0.00288279/step, 2.32305 hours remaining, 207.558594 MB of memory in use. ENERGY: 2099000 718.1101 2102.5837 1956.6009 103.6954 -206802.0829 17885.2565 0.0000 0.0000 34338.3834 -149697.4530 299.8856 -184035.8364 -149603.8526 297.4255 10.2531 40.2973 556723.8306 -11.8613 -11.6263 PRESSURE: 2099200 45.0065 100.741 -54.0339 100.742 -237.902 -29.4193 -54.0334 -29.4204 -249.818 GPRESSURE: 2099200 71.4028 60.5189 -104.969 74.5545 -222.934 -72.8203 -7.7724 64.7174 -206.341 PRESSAVG: 2099200 7.84947 -2.7064 -57.2886 -2.70643 37.6367 12.6941 -57.2886 12.6941 -42.5889 GPRESSAVG: 2099200 7.64962 -3.81564 -55.2944 -2.16196 37.6687 13.0518 -55.267 11.2702 -42.3243 TIMING: 2099200 CPU: 6090.62, 0.00291274/step Wall: 6090.62, 0.00291274/step, 2.34702 hours remaining, 207.558594 MB of memory in use. ENERGY: 2099200 789.2193 2077.9233 1954.6196 118.8865 -206426.6789 17742.1797 0.0000 0.0000 34129.3382 -149614.5123 298.0600 -183743.8505 -149514.0691 297.6444 -147.5713 -119.2909 557775.4396 0.9658 0.9980 PRESSURE: 2099400 -231.155 24.2033 -74.41 24.2035 95.5636 -31.8836 -74.4099 -31.8848 150.254 GPRESSURE: 2099400 -210.693 28.1156 -3.26912 162.472 173.223 47.6987 -147.823 -21.8149 147.843 PRESSAVG: 2099400 -39.0586 24.7324 -13.8706 24.7324 65.1054 -28.6704 -13.8706 -28.6704 -15.314 GPRESSAVG: 2099400 -40.0844 26.3836 -12.6947 25.1294 65.5847 -26.7048 -15.7741 -29.3926 -14.5956 TIMING: 2099400 CPU: 6091.2, 0.00290102/step Wall: 6091.2, 0.00290102/step, 2.33741 hours remaining, 207.558594 MB of memory in use. ENERGY: 2099400 764.3597 2143.6422 1959.5092 113.1506 -206912.4225 18083.4477 0.0000 0.0000 34123.2736 -149725.0396 298.0070 -183848.3132 -149626.8910 298.1712 4.8876 36.7910 557815.3108 3.5776 3.6349 PRESSURE: 2099600 -175.456 67.9399 -256.517 67.9403 -11.0666 -86.8592 -256.518 -86.8572 17.3109 GPRESSURE: 2099600 -180.967 34.6751 -205.637 64.3696 46.4887 -22.1493 -300.581 -143.364 55.1035 PRESSAVG: 2099600 -5.06193 -13.1859 -11.9025 -13.1859 17.2102 22.3894 -11.9025 22.3894 43.5749 GPRESSAVG: 2099600 -3.93289 -13.8165 -15.1446 -13.6079 17.0027 21.6609 -10.1374 23.1162 43.001 TIMING: 2099600 CPU: 6091.78, 0.00288664/step Wall: 6091.78, 0.00288664/step, 2.32567 hours remaining, 207.558594 MB of memory in use. ENERGY: 2099600 777.5522 2061.6965 1944.3958 116.2344 -206761.0154 17999.5258 0.0000 0.0000 34119.2517 -149742.3591 297.9719 -183861.6107 -149654.0904 297.3425 -56.4039 -26.4582 556302.9504 18.5744 18.6903 PRESSURE: 2099800 232.445 -51.8517 -97.3952 -51.8538 173.747 118.349 -97.3957 118.35 344.948 GPRESSURE: 2099800 283.065 -74.4212 -122.938 -93.8974 218.303 89.8275 -75.8792 137.589 348.731 PRESSAVG: 2099800 -44.97 -29.6394 -34.0514 -29.6395 -2.87589 15.7543 -34.0514 15.7543 26.6863 GPRESSAVG: 2099800 -45.3804 -27.941 -31.2412 -29.1055 -2.7825 13.0499 -35.0967 15.6584 26.6287 TIMING: 2099800 CPU: 6092.36, 0.00289161/step Wall: 6092.36, 0.00289161/step, 2.32951 hours remaining, 207.558594 MB of memory in use. ENERGY: 2099800 723.7501 2080.0907 1954.3113 125.5160 -206779.6857 18204.2514 0.0000 0.0000 34120.8649 -149570.9013 297.9860 -183691.7662 -149470.2554 298.4681 250.3799 283.3661 556124.6260 -7.0532 -7.1781 PRESSURE: 2100000 -70.8115 -43.8336 -75.7871 -43.8338 -5.33727 19.8604 -75.7878 19.8592 286.138 GPRESSURE: 2100000 -30.6206 -45.331 -106.191 -59.7637 35.2683 16.9765 -81.1679 -16.154 299.208 PRESSAVG: 2100000 -14.2173 35.4002 -68.3399 35.4002 10.5558 29.8293 -68.3398 29.8292 41.9545 GPRESSAVG: 2100000 -12.6275 32.406 -70.0279 34.698 9.28387 32.4628 -68.3392 31.0339 41.9884 TIMING: 2100000 CPU: 6092.94, 0.00291847/step Wall: 6092.94, 0.00291847/step, 2.35099 hours remaining, 207.558594 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: 2100000 759.2271 2117.5356 1951.4359 116.0260 -206473.6323 18006.6607 0.0000 0.0000 34002.1453 -149520.6017 296.9492 -183522.7470 -149424.5521 297.6767 69.9963 101.2851 558002.9916 12.7644 12.8816 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 -172.522 -25.4399 12.3053 -25.439 -42.9397 66.2815 12.3042 66.2833 29.6908 GPRESSURE: 2100200 -145.213 -9.40896 19.6322 -136.059 -15.5996 16.2035 53.2511 93.4706 65.4298 PRESSAVG: 2100200 36.497 11.4099 -1.87622 11.4098 -41.7137 54.6817 -1.87612 54.6817 4.43062 GPRESSAVG: 2100200 35.301 12.8187 -1.12665 13.0779 -42.0037 50.9406 -0.559961 55.5919 5.55977 TIMING: 2100200 CPU: 6093.58, 0.00320808/step Wall: 6093.58, 0.00320808/step, 2.58411 hours remaining, 207.683594 MB of memory in use. ENERGY: 2100200 763.1285 2127.6588 1958.8324 108.1267 -206587.8263 17833.7185 0.0000 0.0000 34162.1583 -149634.2030 298.3466 -183796.3614 -149541.6744 298.1658 -61.9235 -31.7944 557294.1115 -0.2620 -0.3810 LDB: ============= START OF LOAD BALANCING ============== 6097.05 LDB: ============== END OF LOAD BALANCING =============== 6097.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6097.05 LDB: ============= START OF LOAD BALANCING ============== 6097.34 LDB: Largest compute 4820 load 0.030495 is 25.9% of average load 0.117723 LDB: Average compute 0.001723 is 1.5% of average load 0.117723 LDB: TIME 6097.35 LOAD: AVG 0.117723 MAX 0.177027 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 6097.35 LOAD: AVG 0.117723 MAX 0.177027 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.172 MB LDB: TIME 6097.35 LOAD: AVG 0.117723 MAX 0.177027 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.172 MB LDB: ============== END OF LOAD BALANCING =============== 6097.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6097.35 PRESSURE: 2100400 72.5025 -83.1448 -20.2223 -83.1455 117.351 -22.4966 -20.2213 -22.4973 52.5481 GPRESSURE: 2100400 85.1683 -99.9655 19.275 -63.7859 134.631 -48.1827 -41.6999 -25.5029 104.06 PRESSAVG: 2100400 41.8247 -42.933 23.6045 -42.9331 -10.8731 25.5255 23.6046 25.5256 -13.6028 GPRESSAVG: 2100400 41.3118 -42.8835 24.7231 -44.9256 -9.51119 28.2985 23.4088 22.669 -14.2828 TIMING: 2100400 CPU: 6094.18, 0.0029734/step Wall: 6094.18, 0.0029734/step, 2.39491 hours remaining, 205.105469 MB of memory in use. ENERGY: 2100400 737.3818 2132.9351 1921.9623 114.6561 -206475.4072 17943.4598 0.0000 0.0000 34178.8361 -149446.1761 298.4923 -183625.0122 -149346.7132 298.1754 80.8005 107.9530 556242.7296 5.7829 5.8393 PRESSURE: 2100600 -57.952 -232.96 13.1818 -232.96 -116.506 -10.0876 13.1815 -10.0874 71.0879 GPRESSURE: 2100600 14.5286 -152.619 35.8591 -219.403 -120.711 14.9776 20.3923 36.8507 100.239 PRESSAVG: 2100600 37.064 -32.5567 -43.8055 -32.5567 -8.74258 59.587 -43.8055 59.587 7.5583 GPRESSAVG: 2100600 39.2949 -35.8949 -45.3648 -30.2012 -9.88099 59.2696 -43.5865 60.0964 7.0201 TIMING: 2100600 CPU: 6094.76, 0.00291072/step Wall: 6094.76, 0.00291072/step, 2.34426 hours remaining, 205.105469 MB of memory in use. ENERGY: 2100600 710.4144 2129.5026 1953.1142 121.7923 -206136.6299 17694.2949 0.0000 0.0000 34093.7623 -149433.7492 297.7493 -183527.5115 -149337.1924 298.8751 -34.4566 -1.9813 557466.0449 11.9599 12.1447 PRESSURE: 2100800 -46.7785 -17.3073 -73.1344 -17.3064 -26.359 -117.473 -73.1357 -117.473 -151.309 GPRESSURE: 2100800 28.9954 -8.69636 -5.29483 -76.9184 -48.4052 -75.8725 -45.6843 -62.3615 -109.432 PRESSAVG: 2100800 16.6481 -34.7049 36.0862 -34.7049 39.4408 -22.0721 36.0861 -22.0721 -83.9877 GPRESSAVG: 2100800 14.9522 -32.2863 37.0977 -37.5768 40.5725 -21.217 35.9644 -20.9895 -82.9822 TIMING: 2100800 CPU: 6095.34, 0.00290219/step Wall: 6095.34, 0.00290219/step, 2.33723 hours remaining, 205.105469 MB of memory in use. ENERGY: 2100800 746.2521 2062.4245 1959.0407 112.3008 -206432.4172 17842.4313 0.0000 0.0000 34167.6049 -149542.3628 298.3942 -183709.9677 -149444.0160 297.9727 -74.8154 -42.9473 556871.0399 -9.2996 -9.1525 PRESSURE: 2101000 -162.815 -61.1674 -82.3789 -61.1668 -437.642 94.1974 -82.3781 94.1968 -124.525 GPRESSURE: 2101000 -130.997 -139.737 -65.5878 -17.5131 -368.153 97.3314 -104.605 75.7143 -126.538 PRESSAVG: 2101000 -8.80056 4.71172 -10.7313 4.7118 -12.7929 -26.2192 -10.7313 -26.2193 19.3481 GPRESSAVG: 2101000 -8.34345 3.42113 -8.66704 6.48979 -13.8556 -24.4093 -13.7334 -27.6372 19.6338 TIMING: 2101000 CPU: 6095.92, 0.00289451/step Wall: 6095.92, 0.00289451/step, 2.33088 hours remaining, 205.105469 MB of memory in use. ENERGY: 2101000 773.4227 2073.8798 1967.0900 112.0373 -205992.4584 17555.9386 0.0000 0.0000 34228.2040 -149281.8861 298.9234 -183510.0901 -149188.9029 298.7173 -241.6607 -208.5629 557809.6189 -0.7485 -0.8551 PRESSURE: 2101200 7.83879 67.388 -53.2495 67.3856 259.636 -33.7538 -53.25 -33.7527 -59.9681 GPRESSURE: 2101200 16.5375 -59.3829 -83.208 90.1537 291.486 -71.6449 -82.5876 35.3261 3.77213 PRESSAVG: 2101200 -49.9885 -23.3846 15.6874 -23.3845 75.429 -19.6411 15.6874 -19.6411 -30.7287 GPRESSAVG: 2101200 -50.1712 -23.9739 13.1902 -23.3513 76.1109 -20.6625 17.7233 -20.0526 -30.974 TIMING: 2101200 CPU: 6096.5, 0.00289206/step Wall: 6096.5, 0.00289206/step, 2.32875 hours remaining, 205.105469 MB of memory in use. ENERGY: 2101200 733.8895 2039.6898 1967.4461 122.4920 -206398.9243 18116.0901 0.0000 0.0000 34118.8383 -149300.4785 297.9683 -183419.3168 -149198.7951 299.2593 69.1688 103.9320 556847.1889 -1.7627 -1.6781 PRESSURE: 2101400 240.263 -5.96071 -11.0613 -5.96036 -145.073 21.4217 -11.0635 21.4235 -376.05 GPRESSURE: 2101400 235.305 70.4582 62.1723 25.8304 -121.923 57.34 -20.9181 15.7911 -300.052 PRESSAVG: 2101400 -36.6091 3.88361 -4.14724 3.8836 91.0525 -3.74945 -4.14724 -3.74938 -57.2514 GPRESSAVG: 2101400 -36.8399 6.41982 -4.37858 4.3489 89.973 -4.76758 -4.6174 -3.25239 -56.2666 TIMING: 2101400 CPU: 6097.08, 0.00290992/step Wall: 6097.08, 0.00290992/step, 2.34297 hours remaining, 205.105469 MB of memory in use. ENERGY: 2101400 747.2913 2092.7287 1954.7919 104.9751 -205962.6616 17566.7580 0.0000 0.0000 34223.5090 -149272.6077 298.8824 -183496.1167 -149178.0984 298.9350 -93.6203 -62.2235 556199.0886 -0.9360 -1.0445 PRESSURE: 2101600 94.2061 -58.767 187.566 -58.7675 -69.7503 154.786 187.567 154.787 17.5652 GPRESSURE: 2101600 112.29 -75.339 165.781 -143.327 -97.3251 222.18 170.144 92.7516 119.308 PRESSAVG: 2101600 67.5508 -9.57155 20.5155 -9.5715 31.3014 -14.6127 20.5155 -14.6127 -50.4866 GPRESSAVG: 2101600 68.3897 -7.56562 19.8011 -11.1085 31.2654 -14.574 19.8183 -13.4859 -51.1332 TIMING: 2101600 CPU: 6097.66, 0.00291013/step Wall: 6097.66, 0.00291013/step, 2.34298 hours remaining, 205.105469 MB of memory in use. ENERGY: 2101600 721.8364 2103.4664 1971.8225 119.0805 -206256.0362 17809.8629 0.0000 0.0000 34351.9841 -149177.9833 300.0044 -183529.9674 -149075.9988 298.6375 14.0070 44.7577 555931.5332 16.1219 16.1740 PRESSURE: 2101800 -101.702 -16.4149 -11.9387 -16.4155 44.7311 -11.8797 -11.9403 -11.8785 -242.883 GPRESSURE: 2101800 -61.4952 47.5655 -30.579 -59.8858 92.7597 -57.5273 53.1463 71.0715 -236.207 PRESSAVG: 2101800 20.9504 -32.2195 -17.3973 -32.2196 21.4478 -2.78453 -17.3974 -2.78451 -49.2468 GPRESSAVG: 2101800 18.9446 -34.2474 -18.4417 -33.0018 21.3845 -2.22864 -17.5403 -2.40577 -47.5948 TIMING: 2101800 CPU: 6098.24, 0.00291071/step Wall: 6098.24, 0.00291071/step, 2.34328 hours remaining, 205.105469 MB of memory in use. ENERGY: 2101800 731.1973 2082.3214 1951.8992 122.0553 -206023.8960 17680.8659 0.0000 0.0000 34234.4301 -149221.1268 298.9778 -183455.5569 -149122.8591 298.9386 -99.9513 -68.3142 557807.7729 -2.2829 -2.4219 PRESSURE: 2102000 -13.3073 -232.628 -110.008 -232.628 -53.0016 56.5402 -110.006 56.5401 -140.712 GPRESSURE: 2102000 25.8963 -245.799 -56.4843 -213.732 28.7698 67.8463 -98.4271 120.569 -169.777 PRESSAVG: 2102000 43.7674 -51.6503 -2.27029 -51.6503 -29.2856 27.862 -2.27031 27.862 -31.0219 GPRESSAVG: 2102000 44.4524 -51.266 -0.954269 -51.1412 -28.0555 27.321 -1.46673 28.9212 -33.1302 TIMING: 2102000 CPU: 6098.82, 0.00289556/step Wall: 6098.82, 0.00289556/step, 2.33092 hours remaining, 205.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2102000 756.8276 2111.3331 1950.9969 121.8890 -206082.9620 17756.4311 0.0000 0.0000 34118.3823 -149267.1020 297.9643 -183385.4842 -149169.2612 299.2502 -69.0071 -38.3702 557622.8991 -5.5134 -5.5778 PRESSURE: 2102200 -230.723 -6.53389 -28.6885 -6.53411 82.8069 34.3509 -28.689 34.3512 -193.684 GPRESSURE: 2102200 -225.388 39.0126 -96.4814 12.2508 148.646 101.169 -103.59 -25.1743 -154.789 PRESSAVG: 2102200 -102.127 4.59237 -4.98265 4.59235 12.0966 1.0735 -4.98263 1.07347 78.6995 GPRESSAVG: 2102200 -102.884 3.52331 -5.96487 6.57487 12.0241 -1.00952 -6.23486 -0.738061 79.8339 TIMING: 2102200 CPU: 6099.4, 0.00288774/step Wall: 6099.4, 0.00288774/step, 2.32447 hours remaining, 205.230469 MB of memory in use. ENERGY: 2102200 744.0018 2137.4691 1973.8949 110.1501 -206051.9422 17646.3667 0.0000 0.0000 34454.1975 -148985.8620 300.8971 -183440.0596 -148893.1848 299.6560 -113.8668 -77.1773 558336.6168 -3.7769 -3.6753 PRESSURE: 2102400 48.0544 -149.351 -86.8288 -149.351 -35.5054 190.207 -86.8304 190.206 -110.428 GPRESSURE: 2102400 93.9334 -175.043 -16.4906 -132.765 10.8183 203.179 -77.4809 226.029 -108.379 PRESSAVG: 2102400 -13.684 56.3932 8.61112 56.3932 7.70073 -21.9572 8.61112 -21.9572 27.5497 GPRESSAVG: 2102400 -12.1094 54.521 10.3832 55.0463 7.26053 -19.2765 7.9002 -21.3501 26.2781 TIMING: 2102400 CPU: 6099.98, 0.00290851/step Wall: 6099.98, 0.00290851/step, 2.34103 hours remaining, 205.230469 MB of memory in use. ENERGY: 2102400 726.4424 2151.0341 1965.4904 114.3498 -206110.1635 17696.1015 0.0000 0.0000 34310.8341 -149145.9113 299.6450 -183456.7454 -149049.7291 299.5728 -32.6264 -1.2090 558012.8954 7.1888 7.1431 PRESSURE: 2102600 -13.2039 36.3681 57.4866 36.3695 240.453 54.3235 57.4866 54.3233 -114.226 GPRESSURE: 2102600 -23.6496 101.417 38.6086 17.2587 237.872 47.9702 -5.49034 56.5012 -4.66108 PRESSAVG: 2102600 -1.69723 18.6607 21.3185 18.6606 -2.68612 58.3513 21.3186 58.3514 12.8487 GPRESSAVG: 2102600 -2.08966 20.1438 20.4915 17.162 -2.69991 57.661 21.5387 56.6526 13.1383 TIMING: 2102600 CPU: 6100.56, 0.00291437/step Wall: 6100.56, 0.00291437/step, 2.34558 hours remaining, 205.230469 MB of memory in use. ENERGY: 2102600 768.0187 2105.0623 2007.5286 114.2310 -206310.0520 17849.1008 0.0000 0.0000 34251.0206 -149215.0901 299.1227 -183466.1108 -149120.0665 299.0127 37.6744 69.8537 557534.1611 2.8218 2.7829 PRESSURE: 2102800 -174.799 7.67612 -17.7073 7.67514 -250.496 337.483 -17.7078 337.484 -265.871 GPRESSURE: 2102800 -101.493 -83.5921 16.8455 -21.6732 -300.296 259.2 -80.5219 406.253 -187.421 PRESSAVG: 2102800 -41.0403 28.8172 -6.02034 28.817 56.0529 -22.4158 -6.02032 -22.4157 11.9203 GPRESSAVG: 2102800 -40.6539 28.5875 -7.94049 30.16 55.682 -23.1326 -4.52477 -20.6988 12.1262 TIMING: 2102800 CPU: 6101.15, 0.00290944/step Wall: 6101.15, 0.00290944/step, 2.34146 hours remaining, 205.230469 MB of memory in use. ENERGY: 2102800 724.4014 2114.1208 1983.2335 123.2026 -205743.6076 17373.5998 0.0000 0.0000 34340.5631 -149084.4864 299.9047 -183425.0495 -148986.6623 299.5386 -230.3888 -196.4034 557333.6757 8.9777 9.0514 PRESSURE: 2103000 19.2701 -70.3306 1.25981 -70.3306 186.673 -8.5214 1.26056 -8.5211 -26.2994 GPRESSURE: 2103000 48.6737 -66.8499 60.337 -21.4308 245.472 35.2362 -61.2857 -60.39 -19.4285 PRESSAVG: 2103000 -52.9971 31.683 -29.8462 31.683 37.7652 -11.1791 -29.8463 -11.1791 22.1773 GPRESSAVG: 2103000 -52.1393 32.5892 -26.7899 30.9631 37.5555 -9.48288 -31.067 -14.1104 21.5518 TIMING: 2103000 CPU: 6101.73, 0.00289503/step Wall: 6101.73, 0.00289503/step, 2.32969 hours remaining, 205.230469 MB of memory in use. ENERGY: 2103000 754.1224 2131.3262 1961.0307 107.8278 -206045.4884 17839.0844 0.0000 0.0000 34157.7402 -149094.3569 298.3080 -183252.0971 -149002.0586 299.2839 59.8812 91.5723 556116.8404 2.3151 2.3227 PRESSURE: 2103200 -103.767 0.833621 -144.456 0.834121 -136.596 234.337 -144.456 234.337 -502.086 GPRESSURE: 2103200 -99.3818 -0.32361 -102.328 -2.05581 -122.667 141.65 -134.105 241.373 -419.963 PRESSAVG: 2103200 13.0324 -28.0057 -61.0792 -28.0058 45.7544 -24.5833 -61.0792 -24.5833 -25.6938 GPRESSAVG: 2103200 10.4955 -29.8622 -62.062 -27.1814 46.8428 -25.9523 -60.584 -20.4738 -24.5182 TIMING: 2103200 CPU: 6102.3, 0.00288823/step Wall: 6102.3, 0.00288823/step, 2.32407 hours remaining, 205.230469 MB of memory in use. ENERGY: 2103200 749.7773 2128.7511 1962.9373 112.7166 -205106.0163 17125.5593 0.0000 0.0000 33993.9909 -149032.2839 296.8780 -183026.2747 -148939.1633 298.7027 -247.4830 -214.0040 557487.9696 11.0310 10.9401 PRESSURE: 2103400 98.6151 -27.3975 -12.4468 -27.3965 222.712 -120.679 -12.4468 -120.68 200.56 GPRESSURE: 2103400 136.894 -9.42745 63.0916 9.72233 273.502 -154.958 -60.3874 -129.511 216.51 PRESSAVG: 2103400 -18.9582 12.9645 -33.6483 12.9645 12.1589 -15.0428 -33.6483 -15.0428 9.7135 GPRESSAVG: 2103400 -17.0543 15.4843 -33.6644 13.0105 11.8173 -15.5742 -34.3245 -18.2124 7.97062 TIMING: 2103400 CPU: 6102.89, 0.00292804/step Wall: 6102.89, 0.00292804/step, 2.35594 hours remaining, 205.230469 MB of memory in use. ENERGY: 2103400 719.2067 2111.1974 2000.7316 120.7400 -206320.4205 17942.5032 0.0000 0.0000 34409.4184 -149016.6231 300.5060 -183426.0415 -148921.9804 299.6879 173.9624 208.9687 555651.0454 0.9714 0.9112 PRESSURE: 2103600 66.9046 -130.974 -50.89 -130.975 -11.0484 -109.697 -50.8883 -109.695 -132.996 GPRESSURE: 2103600 133.515 -153.141 -100.464 -72.7233 33.2626 -109.21 -39.143 -71.8411 -149.86 PRESSAVG: 2103600 36.0311 -4.43564 -26.7421 -4.43564 -11.2702 -56.841 -26.7421 -56.841 -13.7684 GPRESSAVG: 2103600 35.2241 -6.35568 -27.2314 -5.38804 -11.5352 -55.8344 -26.365 -53.9768 -12.6717 TIMING: 2103600 CPU: 6103.47, 0.00290771/step Wall: 6103.47, 0.00290771/step, 2.33942 hours remaining, 205.230469 MB of memory in use. ENERGY: 2103600 732.0341 2085.7111 1950.1920 110.7198 -206172.8197 17779.6233 0.0000 0.0000 34339.4049 -149175.1345 299.8946 -183514.5394 -149065.1881 299.3668 -25.7132 5.6391 557749.2604 3.6642 3.6724 PRESSURE: 2103800 -53.3219 -2.73368 -85.7239 -2.73263 -17.9194 -76.5631 -85.7239 -76.5633 -46.4316 GPRESSURE: 2103800 -5.00601 -12.5429 -106.792 12.3503 -20.337 -46.5613 -114.143 -138.359 -13.2993 PRESSAVG: 2103800 45.9534 0.925487 -80.889 0.925559 26.9238 -17.7904 -80.889 -17.7904 -85.7481 GPRESSAVG: 2103800 46.537 2.40244 -79.3636 0.0160387 26.7151 -16.3398 -79.8179 -20.284 -86.1445 TIMING: 2103800 CPU: 6104.05, 0.00288521/step Wall: 6104.05, 0.00288521/step, 2.32115 hours remaining, 205.230469 MB of memory in use. ENERGY: 2103800 767.7100 2112.8656 1983.0231 122.5112 -206370.6840 17759.0724 0.0000 0.0000 34358.0159 -149267.4858 300.0571 -183625.5017 -149162.1976 299.0401 -39.2243 -12.8808 557353.0577 -4.2903 -4.2975 PRESSURE: 2104000 -23.8501 88.9072 34.4559 88.907 -63.8719 128.004 34.4565 128.007 -177.27 GPRESSURE: 2104000 -25.0582 47.0428 73.8831 58.2725 -25.4764 46.3112 117.018 160.038 -118.43 PRESSAVG: 2104000 -5.62369 11.4365 -30.362 11.4365 24.289 -18.8826 -30.3621 -18.8827 -9.60821 GPRESSAVG: 2104000 -6.68651 11.799 -32.4146 11.616 25.6953 -20.3488 -31.2336 -17.2193 -9.94848 TIMING: 2104000 CPU: 6104.62, 0.00288005/step Wall: 6104.62, 0.00288005/step, 2.31684 hours remaining, 205.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2104000 720.1455 2106.9665 1990.5216 109.5436 -205979.3906 17519.5987 0.0000 0.0000 34245.9366 -149286.6781 299.0783 -183532.6147 -149191.2358 299.3522 -88.3307 -56.3216 556346.0907 3.0190 3.0201 PRESSURE: 2104200 15.6958 -113.268 -150.452 -113.267 -146.728 -31.9775 -150.452 -31.9783 -103.708 GPRESSURE: 2104200 51.5931 -113.741 -64.4973 -47.3751 -125.47 22.2959 -207.534 -104.566 -65.4734 PRESSAVG: 2104200 90.7507 -35.0266 18.4997 -35.0267 -53.0787 -4.69091 18.4997 -4.69095 -18.9498 GPRESSAVG: 2104200 92.2433 -35.9492 17.4342 -33.8198 -54.7919 -2.99998 20.8622 -4.37072 -19.4119 TIMING: 2104200 CPU: 6105.2, 0.00289498/step Wall: 6105.2, 0.00289498/step, 2.32869 hours remaining, 205.230469 MB of memory in use. ENERGY: 2104200 745.8233 2102.3854 1968.7674 108.7515 -205967.2823 17545.0721 0.0000 0.0000 34337.4894 -149158.9932 299.8778 -183496.4826 -149059.0386 299.4793 -78.2470 -46.4501 556251.4287 6.2407 6.0132 LDB: ============= START OF LOAD BALANCING ============== 6108.67 LDB: ============== END OF LOAD BALANCING =============== 6108.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6108.67 LDB: ============= START OF LOAD BALANCING ============== 6108.96 LDB: Largest compute 4820 load 0.030602 is 26.0% of average load 0.117672 LDB: Average compute 0.001729 is 1.5% of average load 0.117672 LDB: TIME 6108.96 LOAD: AVG 0.117672 MAX 0.17792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 6108.96 LOAD: AVG 0.117672 MAX 0.17792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.328 MB LDB: TIME 6108.96 LOAD: AVG 0.117672 MAX 0.17792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6108.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6108.97 PRESSURE: 2104400 -1.68146 -1.7729 -138.649 -1.77185 -289.23 187.314 -138.649 187.314 -79.5224 GPRESSURE: 2104400 38.3454 -31.7859 -85.5431 93.6665 -248.157 153.586 -163.231 231.187 -60.3805 PRESSAVG: 2104400 53.9822 -48.542 -2.12424 -48.542 -58.3298 -11.4144 -2.12435 -11.4143 18.1496 GPRESSAVG: 2104400 53.9955 -49.601 1.06825 -47.3552 -57.5676 -13.1653 -4.94233 -11.9203 17.1036 TIMING: 2104400 CPU: 6105.79, 0.00294574/step Wall: 6105.79, 0.00294574/step, 2.36935 hours remaining, 207.859375 MB of memory in use. ENERGY: 2104400 731.2691 2102.9954 1976.2362 104.9015 -206000.2521 17486.5925 0.0000 0.0000 34383.2646 -149214.9926 300.2776 -183598.2572 -149122.5457 298.6858 -123.4778 -90.0639 557841.0421 4.6007 4.5105 PRESSURE: 2104600 228.798 143.133 129.333 143.135 317.152 87.8472 129.334 87.8458 -68.0988 GPRESSURE: 2104600 297.984 104.945 136.949 221.124 298.911 83.9705 137.271 124.008 -19.873 PRESSAVG: 2104600 54.8161 -34.5431 -31.1673 -34.543 -5.57569 30.5866 -31.1673 30.5865 -16.6475 GPRESSAVG: 2104600 54.6429 -34.3912 -31.8897 -34.772 -7.03166 31.1314 -32.8506 31.4434 -15.1317 TIMING: 2104600 CPU: 6106.37, 0.00288735/step Wall: 6106.37, 0.00288735/step, 2.32223 hours remaining, 208.265625 MB of memory in use. ENERGY: 2104600 726.0641 2175.2752 1951.9031 122.1351 -206702.0129 18139.5919 0.0000 0.0000 34368.9592 -149218.0842 300.1527 -183587.0434 -149126.2043 299.1671 159.2838 192.3407 557084.2042 10.8643 10.8265 PRESSURE: 2104800 -19.6174 49.9905 -57.6774 49.9916 -270.363 209.315 -57.6769 209.315 41.2654 GPRESSURE: 2104800 12.548 30.9542 44.1322 54.1652 -237.973 209.383 -144.365 249.612 70.2488 PRESSAVG: 2104800 -2.34218 16.5474 -9.75473 16.5474 7.77347 64.979 -9.75471 64.979 -16.5155 GPRESSAVG: 2104800 -2.72196 15.4059 -10.8372 16.1264 8.51693 65.5535 -7.92411 64.2698 -16.4893 TIMING: 2104800 CPU: 6106.95, 0.00289339/step Wall: 6106.95, 0.00289339/step, 2.32693 hours remaining, 208.265625 MB of memory in use. ENERGY: 2104800 735.7523 2110.3722 1987.2185 113.5394 -205963.9696 17664.8951 0.0000 0.0000 34091.9882 -149260.2038 297.7338 -183352.1920 -149163.3449 299.1229 -82.9051 -51.7255 558743.4546 -3.6947 -3.5648 PRESSURE: 2105000 131.797 3.03574 95.7466 3.03578 107.524 -88.0559 95.7457 -88.056 -102.064 GPRESSURE: 2105000 153.681 -94.9335 89.1823 89.8485 102.017 -76.2215 163.618 -95.4756 -36.4212 PRESSAVG: 2105000 58.1098 10.4764 35.2345 10.4763 -11.5358 32.979 35.2346 32.979 -40.7109 GPRESSAVG: 2105000 58.2507 12.3888 36.4817 10.1251 -10.5855 31.8612 33.2127 33.2537 -41.972 TIMING: 2105000 CPU: 6107.52, 0.00287678/step Wall: 6107.52, 0.00287678/step, 2.31341 hours remaining, 208.265625 MB of memory in use. ENERGY: 2105000 768.9068 2103.5543 1961.6981 116.2704 -206288.6767 17916.3595 0.0000 0.0000 34212.1482 -149209.7394 298.7832 -183421.8876 -149118.5345 298.3069 45.7526 73.0922 556959.6648 1.9544 1.8977 PRESSURE: 2105200 -121.696 71.1969 171.07 71.1977 -127.267 214.065 171.069 214.066 171.113 GPRESSURE: 2105200 -72.0177 161.664 149.425 -19.3559 -144.774 141.125 110.015 210.827 251.366 PRESSAVG: 2105200 -20.9574 -27.2226 23.9172 -27.2226 20.8686 22.6909 23.9172 22.6909 8.47506 GPRESSAVG: 2105200 -21.6132 -28.2241 22.997 -26.3323 19.9235 23.886 26.8692 21.1304 9.30342 TIMING: 2105200 CPU: 6108.11, 0.0029139/step Wall: 6108.11, 0.0029139/step, 2.3431 hours remaining, 208.265625 MB of memory in use. ENERGY: 2105200 764.4678 2053.5505 1980.6396 120.5529 -205938.1293 17578.1913 0.0000 0.0000 34228.8586 -149211.8686 298.9291 -183440.7272 -149119.2478 299.3146 -25.9502 11.5247 556626.4335 2.7954 2.5379 PRESSURE: 2105400 138.759 -94.0702 188.765 -94.0701 354.677 112 188.766 112 -212.994 GPRESSURE: 2105400 179.546 -80.3873 182.202 -91.4644 349.533 81.728 221.672 176.385 -134.91 PRESSAVG: 2105400 67.9453 -69.9584 35.3483 -69.9584 -1.64687 -20.8357 35.3483 -20.8358 -4.21529 GPRESSAVG: 2105400 68.4725 -69.7974 38.7164 -69.7357 -3.21449 -22.4305 30.1856 -20.9615 -3.45826 TIMING: 2105400 CPU: 6108.69, 0.00291053/step Wall: 6108.69, 0.00291053/step, 2.34023 hours remaining, 208.265625 MB of memory in use. ENERGY: 2105400 702.1411 2088.8140 1972.5268 111.5927 -206261.4996 17795.9232 0.0000 0.0000 34224.8166 -149365.6853 298.8938 -183590.5018 -149272.9195 298.9179 93.4806 131.3897 557213.9595 20.6944 20.5999 PRESSURE: 2105600 44.4007 -24.5824 -173.732 -24.5836 -79.5903 143.224 -173.731 143.224 -25.5285 GPRESSURE: 2105600 84.6349 55.7302 -127.846 -40.3939 -26.0286 73.9441 -116.45 153.575 -12.741 PRESSAVG: 2105600 -34.222 -27.5677 -40.9959 -27.5678 14.5838 -11.7961 -40.9959 -11.7961 -4.138 GPRESSAVG: 2105600 -33.9564 -26.6293 -42.0671 -28.4087 14.889 -12.2561 -39.1375 -11.2958 -4.9614 TIMING: 2105600 CPU: 6109.27, 0.00289986/step Wall: 6109.27, 0.00289986/step, 2.33149 hours remaining, 208.265625 MB of memory in use. ENERGY: 2105600 744.7141 2063.2104 1999.5442 107.6669 -206312.1083 17904.4416 0.0000 0.0000 34183.0740 -149309.4570 298.5293 -183492.5311 -149218.4109 298.3793 -20.2394 15.2885 557990.3045 -7.9254 -8.0096 PRESSURE: 2105800 -222.795 39.1855 7.90201 39.1848 -97.7061 35.3414 7.90098 35.3444 -116.939 GPRESSURE: 2105800 -227.587 -64.3276 -29.079 -30.4335 -80.5712 72.0096 -15.0165 87.7615 -38.24 PRESSAVG: 2105800 8.20007 14.3376 -86.3694 14.3376 42.3092 77.6978 -86.3695 77.6978 3.97664 GPRESSAVG: 2105800 6.54354 11.7993 -88.0643 15.6074 44.9107 78.3744 -84.8912 77.2524 3.11542 TIMING: 2105800 CPU: 6109.84, 0.00288378/step Wall: 6109.84, 0.00288378/step, 2.3184 hours remaining, 208.265625 MB of memory in use. ENERGY: 2105800 770.1827 2070.1525 1962.7982 113.0419 -206009.2319 17614.2952 0.0000 0.0000 34154.5948 -149324.1666 298.2806 -183478.7614 -149231.2385 299.2361 -145.8136 -115.4661 556985.5426 18.1620 18.1899 PRESSURE: 2106000 62.2766 -77.8075 -44.6015 -77.8068 -38.8529 -66.5873 -44.5999 -66.587 -59.5935 GPRESSURE: 2106000 122.31 -142.533 -89.8817 14.864 -33.5417 -159.545 -11.1185 6.57394 -17.7372 PRESSAVG: 2106000 11.3327 -31.1642 -8.16548 -31.1643 1.59015 -7.30039 -8.16554 -7.30023 4.82686 GPRESSAVG: 2106000 11.9849 -28.0337 -7.52558 -33.6628 0.74815 -6.35119 -9.98821 -7.53873 5.70131 TIMING: 2106000 CPU: 6110.42, 0.00287079/step Wall: 6110.42, 0.00287079/step, 2.3078 hours remaining, 208.265625 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: 2106000 753.2823 2017.2936 1981.2031 114.9770 -206272.5169 17766.1507 0.0000 0.0000 34297.5830 -149342.0273 299.5293 -183639.6102 -149242.6704 298.7545 -12.0566 23.6770 556711.9987 5.9166 6.1448 PRESSURE: 2106200 -323.431 -148.546 145.077 -148.546 -361.786 18.808 145.077 18.8091 -60.2134 GPRESSURE: 2106200 -269.705 -67.8514 130.963 -178.679 -320.846 18.5185 141.161 -81.7491 -60.5933 PRESSAVG: 2106200 -12.7529 -22.6105 17.6829 -22.6105 -10.4872 -38.4031 17.683 -38.4031 43.8935 GPRESSAVG: 2106200 -12.9581 -21.8811 16.2575 -22.219 -11.3392 -38.5616 20.7575 -37.3781 44.4342 TIMING: 2106200 CPU: 6110.99, 0.00288163/step Wall: 6110.99, 0.00288163/step, 2.31635 hours remaining, 208.265625 MB of memory in use. ENERGY: 2106200 769.7967 2124.4233 1951.3969 112.7288 -205932.7872 17363.7214 0.0000 0.0000 34384.0012 -149226.7190 300.2840 -183610.7202 -149137.5138 299.8080 -248.4770 -217.0483 556603.8215 6.8845 6.7123 PRESSURE: 2106400 -136.338 90.3136 81.1856 90.314 -28.233 -72.0791 81.1857 -72.0781 -43.2097 GPRESSURE: 2106400 -46.4555 62.3479 91.1009 146.065 -43.2532 9.31394 75.9242 -34.1345 -30.7193 PRESSAVG: 2106400 49.6379 -7.55478 61.7746 -7.55477 -83.4067 -1.94908 61.7746 -1.94916 -1.53788 GPRESSAVG: 2106400 51.4009 -9.18694 63.9111 -7.00187 -83.6832 -1.66589 61.8461 -1.8086 -2.54475 TIMING: 2106400 CPU: 6111.57, 0.00288595/step Wall: 6111.57, 0.00288595/step, 2.31966 hours remaining, 208.265625 MB of memory in use. ENERGY: 2106400 731.3584 2029.3102 1969.0363 113.2587 -205842.9267 17592.7351 0.0000 0.0000 34230.5852 -149176.6428 298.9442 -183407.2280 -149072.2409 299.5252 -69.2604 -40.1427 557310.3706 -11.7689 -11.6090 PRESSURE: 2106600 -248.586 114.61 -137.741 114.61 77.9573 -133.049 -137.741 -133.051 -151.474 GPRESSURE: 2106600 -255.973 118.784 -36.0634 97.9853 149.864 -82.5457 -201.436 -109.386 -114.774 PRESSAVG: 2106600 18.1662 24.6195 -32.32 24.6196 12.3217 32.7452 -32.32 32.7451 -20.284 GPRESSAVG: 2106600 17.1625 22.8382 -32.406 26.6142 13.5735 33.466 -33.1184 31.903 -20.5213 TIMING: 2106600 CPU: 6112.15, 0.00290045/step Wall: 6112.15, 0.00290045/step, 2.33115 hours remaining, 208.265625 MB of memory in use. ENERGY: 2106600 774.5830 2063.6046 1968.1934 112.5905 -205924.6292 17689.5187 0.0000 0.0000 34274.1204 -149042.0186 299.3244 -183316.1390 -148947.8922 299.2208 -107.3677 -73.6276 558193.9778 3.4013 3.4049 PRESSURE: 2106800 -338.293 53.2085 -28.2435 53.209 -136.145 -70.7768 -28.2428 -70.777 -17.3052 GPRESSURE: 2106800 -272.718 15.8751 71.4307 -18.9146 -117.051 -83.0347 -94.8163 -24.5848 -17.5809 PRESSAVG: 2106800 -16.8016 24.7498 -4.55482 24.7498 11.234 8.88232 -4.55485 8.88225 -26.991 GPRESSAVG: 2106800 -15.7831 26.8585 -6.52371 22.2663 10.2024 5.81212 -4.18702 9.41225 -27.0573 TIMING: 2106800 CPU: 6112.73, 0.00288739/step Wall: 6112.73, 0.00288739/step, 2.3205 hours remaining, 208.468750 MB of memory in use. ENERGY: 2106800 748.2942 2053.6049 1985.0898 119.6381 -205935.7232 17734.6778 0.0000 0.0000 34319.8226 -148974.5958 299.7235 -183294.4183 -148878.8265 299.3974 -163.9143 -135.7833 559546.1289 -10.8529 -10.8793 PRESSURE: 2107000 -403.45 -171.254 -133.596 -171.255 -214.087 -214.241 -133.597 -214.239 -114.61 GPRESSURE: 2107000 -346.671 -104.002 -112.269 -205.15 -122.602 -207.465 -18.6483 -229.016 -157.371 PRESSAVG: 2107000 -52.5628 -14.4769 -19.4756 -14.4769 8.92315 -45.8629 -19.4756 -45.8628 2.61345 GPRESSAVG: 2107000 -53.9016 -16.1805 -21.2429 -12.8193 10.3995 -44.0831 -17.6078 -46.2992 2.94579 TIMING: 2107000 CPU: 6113.31, 0.00289244/step Wall: 6113.31, 0.00289244/step, 2.3244 hours remaining, 208.468750 MB of memory in use. ENERGY: 2107000 753.0811 2069.1194 1949.5486 111.6834 -205910.4996 17625.1898 0.0000 0.0000 34230.7686 -149171.1086 298.9458 -183401.8772 -149067.8694 299.4388 -244.0492 -208.8814 559413.3219 -13.6754 -13.5188 PRESSURE: 2107200 -217.891 -1.10557 -123.728 -1.10667 -88.587 -175.849 -123.729 -175.848 -134.741 GPRESSURE: 2107200 -145.268 -13.3583 -187.572 74.6046 -62.9744 -204.845 -77.7341 -152.836 -124.909 PRESSAVG: 2107200 -11.5348 -73.3147 -6.79733 -73.3147 8.88097 -5.11258 -6.79732 -5.11251 25.605 GPRESSAVG: 2107200 -10.8951 -71.662 -4.31085 -73.9267 7.97681 -5.17818 -8.00124 -2.71376 25.5259 TIMING: 2107200 CPU: 6113.89, 0.00292203/step Wall: 6113.89, 0.00292203/step, 2.34801 hours remaining, 208.468750 MB of memory in use. ENERGY: 2107200 748.8934 2098.4035 2001.9674 115.6080 -205955.3534 17682.6227 0.0000 0.0000 34258.6321 -149049.2263 299.1892 -183307.8583 -148955.8694 299.8019 -147.0729 -111.0507 558558.2222 7.6504 7.5359 PRESSURE: 2107400 -64.0341 -44.3477 -72.707 -44.3467 108.975 -35.4133 -72.7065 -35.4135 154.188 GPRESSURE: 2107400 -43.2977 -93.5652 -79.5324 17.7444 121.226 -61.6056 -83.0419 5.24078 208.145 PRESSAVG: 2107400 14.4179 5.63342 -14.8464 5.63347 -24.8833 3.7791 -14.8465 3.7792 40.5343 GPRESSAVG: 2107400 14.5686 4.22137 -15.4294 6.87842 -25.054 2.8631 -15.0314 2.47162 41.2217 TIMING: 2107400 CPU: 6114.47, 0.00288253/step Wall: 6114.47, 0.00288253/step, 2.31611 hours remaining, 208.468750 MB of memory in use. ENERGY: 2107400 752.9016 2026.7109 1989.7786 122.9606 -205919.0225 17900.7206 0.0000 0.0000 34128.8547 -148997.0955 298.0558 -183125.9501 -148902.4295 299.0914 66.3763 95.3578 557691.6950 10.0230 10.2454 PRESSURE: 2107600 -90.207 -45.555 158.425 -45.5555 -161.639 9.13772 158.426 9.13706 86.8359 GPRESSURE: 2107600 -51.6547 -74.1385 179.342 -54.8467 -118.635 37.3944 114.493 3.91022 112.759 PRESSAVG: 2107600 12.9765 -6.56574 -26.6824 -6.5657 -15.0328 -59.5121 -26.6824 -59.5121 2.55005 GPRESSAVG: 2107600 12.9648 -4.25027 -27.6493 -8.85544 -15.4686 -57.3066 -27.6291 -58.8419 3.0029 TIMING: 2107600 CPU: 6115.04, 0.00287178/step Wall: 6115.04, 0.00287178/step, 2.30731 hours remaining, 208.468750 MB of memory in use. ENERGY: 2107600 728.2190 2058.8486 1944.1326 107.8304 -205790.2818 17719.3012 0.0000 0.0000 34282.7600 -148949.1899 299.3999 -183231.9499 -148849.6487 299.6820 -55.0033 -19.1769 559010.2141 0.1646 0.1664 PRESSURE: 2107800 186.47 10.2563 -81.0563 10.2582 116.755 116.03 -81.0559 116.03 53.5496 GPRESSURE: 2107800 210.292 57.1931 -60.542 -4.78207 169.665 97.6391 -31.825 157.801 84.4798 PRESSAVG: 2107800 32.7777 -28.5499 31.7702 -28.5499 -25.0427 52.7956 31.7702 52.7956 -9.63834 GPRESSAVG: 2107800 32.8226 -29.9506 33.8409 -27.9141 -24.2011 52.3877 31.4382 52.2824 -10.672 TIMING: 2107800 CPU: 6115.62, 0.00289968/step Wall: 6115.62, 0.00289968/step, 2.32957 hours remaining, 208.468750 MB of memory in use. ENERGY: 2107800 697.7863 2069.9014 1953.3561 115.8283 -206106.4768 17931.6669 0.0000 0.0000 34430.7055 -148907.2323 300.6919 -183337.9378 -148805.9524 300.2130 118.9248 154.8122 558546.1915 -0.6344 -0.6835 PRESSURE: 2108000 -252.853 52.9148 28.0803 52.9147 -361.274 128.935 28.0792 128.934 -139.986 GPRESSURE: 2108000 -247.125 20.6406 47.4507 16.8114 -318.241 173.646 66.3814 222.971 -89.0511 PRESSAVG: 2108000 64.7998 35.1813 -11.0661 35.1813 -34.8198 -9.24227 -11.0661 -9.24234 -3.22079 GPRESSAVG: 2108000 64.8963 35.2062 -10.8854 34.5654 -34.2927 -8.80136 -10.7145 -9.61303 -3.10081 TIMING: 2108000 CPU: 6116.2, 0.00289857/step Wall: 6116.2, 0.00289857/step, 2.32852 hours remaining, 208.468750 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: 2108000 737.7587 2098.0035 1969.7458 113.3980 -205665.6257 17540.7438 0.0000 0.0000 34384.4064 -148821.5695 300.2876 -183205.9759 -148722.4504 299.7064 -251.3711 -218.1392 559052.5451 8.9197 9.1676 PRESSURE: 2108200 -149.995 10.0941 -138.788 10.0938 -131.449 79.4239 -138.788 79.4241 197.212 GPRESSURE: 2108200 -77.0978 23.0609 -110.286 -9.48318 -130.477 116.661 -63.718 17.6166 216.859 PRESSAVG: 2108200 -63.6682 76.0519 -29.3806 76.0519 -105.538 47.8051 -29.3807 47.8051 118.837 GPRESSAVG: 2108200 -63.3402 73.4099 -29.0289 77.88 -105.494 47.7734 -30.1177 47.8347 118.291 TIMING: 2108200 CPU: 6116.78, 0.00290196/step Wall: 6116.78, 0.00290196/step, 2.33108 hours remaining, 208.468750 MB of memory in use. ENERGY: 2108200 749.4791 2100.6240 1953.9216 128.0091 -205958.1166 17707.8190 0.0000 0.0000 34376.7809 -148941.4829 300.2210 -183318.2638 -148846.2390 300.0096 -28.0777 3.0947 557290.4070 -16.7898 -16.8477 LDB: ============= START OF LOAD BALANCING ============== 6120.25 LDB: ============== END OF LOAD BALANCING =============== 6120.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6120.25 LDB: ============= START OF LOAD BALANCING ============== 6120.54 LDB: Largest compute 4820 load 0.032100 is 27.3% of average load 0.117694 LDB: Average compute 0.001731 is 1.5% of average load 0.117694 LDB: TIME 6120.54 LOAD: AVG 0.117694 MAX 0.178897 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.16 MB LDB: TIME 6120.54 LOAD: AVG 0.117694 MAX 0.178897 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: TIME 6120.54 LOAD: AVG 0.117694 MAX 0.178897 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6120.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6120.55 PRESSURE: 2108400 -80.1347 -32.3525 -56.9465 -32.3516 -136.75 78.1461 -56.9485 78.1472 115.584 GPRESSURE: 2108400 -65.161 -9.92725 -133.198 -38.4338 -110.938 120.584 -51.3062 49.8148 165.678 PRESSAVG: 2108400 31.279 56.3049 -32.9628 56.3048 -12.4622 -18.5368 -32.9629 -18.5368 55.2266 GPRESSAVG: 2108400 30.3189 58.8012 -33.7337 55.0613 -12.826 -17.0514 -33.3008 -20.4759 56.4026 TIMING: 2108400 CPU: 6117.37, 0.00295642/step Wall: 6117.37, 0.00295642/step, 2.37466 hours remaining, 205.738281 MB of memory in use. ENERGY: 2108400 758.4354 2040.5884 1968.8371 110.8111 -205980.5418 17645.4526 0.0000 0.0000 34456.4126 -149000.0047 300.9164 -183456.4173 -148906.0934 300.5825 -33.7670 -3.4738 557644.1057 24.6811 24.6319 PRESSURE: 2108600 -291.066 25.6115 -23.2007 25.6121 -92.9649 -22.2978 -23.1994 -22.2982 -10.0902 GPRESSURE: 2108600 -261.642 3.13879 5.89488 -21.6603 -25.1498 52.8811 -16.316 -36.7507 -22.2723 PRESSAVG: 2108600 -19.0653 11.4485 -6.8096 11.4486 -46.6425 5.69587 -6.80959 5.69586 47.1811 GPRESSAVG: 2108600 -18.7294 9.90112 -7.67434 12.3951 -45.7995 5.19265 -8.0498 9.79231 45.6996 TIMING: 2108600 CPU: 6117.95, 0.00289876/step Wall: 6117.95, 0.00289876/step, 2.32818 hours remaining, 205.941406 MB of memory in use. ENERGY: 2108600 730.3043 2045.5373 1955.1666 115.1721 -205596.7604 17411.3511 0.0000 0.0000 34357.0168 -148982.2123 300.0484 -183339.2291 -148890.8902 300.5330 -131.3738 -103.0212 559644.2104 -6.1755 -6.2764 PRESSURE: 2108800 -132.699 -70.0368 -245.446 -70.0363 -123.072 -41.6198 -245.446 -41.6181 -378.494 GPRESSURE: 2108800 -85.3412 4.30213 -169.339 -55.2406 -130.668 -114.087 -321.92 24.2215 -321.749 PRESSAVG: 2108800 19.5941 11.9783 -57.4744 11.9782 -30.4592 17.2705 -57.4744 17.2705 33.8917 GPRESSAVG: 2108800 18.9785 13.5823 -58.1363 10.798 -30.791 18.5419 -55.5609 14.33 34.6987 TIMING: 2108800 CPU: 6118.54, 0.00291063/step Wall: 6118.54, 0.00291063/step, 2.33756 hours remaining, 205.941406 MB of memory in use. ENERGY: 2108800 713.4051 2116.0154 1979.1417 121.4261 -205717.3906 17451.1930 0.0000 0.0000 34365.3350 -148970.8744 300.1210 -183336.2093 -148881.4315 300.1787 -211.4216 -179.2529 559738.5645 7.6755 7.6288 PRESSURE: 2109000 -40.2441 60.0916 102.87 60.0896 -138.982 -28.3539 102.871 -28.3553 -234.143 GPRESSURE: 2109000 -45.7989 11.9823 116.231 6.43961 -106.8 -54.2102 107.381 -40.1372 -168.058 PRESSAVG: 2109000 4.68787 6.39733 6.94682 6.39733 -65.7296 13.0064 6.94685 13.0064 28.1134 GPRESSAVG: 2109000 4.61318 4.45198 6.87377 5.9721 -66.4507 10.6669 7.83362 14.4039 28.5245 TIMING: 2109000 CPU: 6119.12, 0.00290663/step Wall: 6119.12, 0.00290663/step, 2.33418 hours remaining, 205.941406 MB of memory in use. ENERGY: 2109000 782.3719 2072.6917 2002.3015 110.7980 -206006.0627 17666.0315 0.0000 0.0000 34495.4108 -148876.4571 301.2570 -183371.8680 -148783.5303 300.0486 -137.7897 -106.8855 558689.3281 -10.9761 -11.1043 PRESSURE: 2109200 -22.4693 -108.549 -19.037 -108.548 -27.4267 -147.115 -19.0378 -147.115 -185.753 GPRESSURE: 2109200 36.223 -147.022 -22.2043 -19.1839 23.7624 -80.777 -115.624 -178.509 -197.067 PRESSAVG: 2109200 23.5023 11.4616 -30.442 11.4616 -24.1219 -57.3802 -30.4421 -57.3801 -26.6426 GPRESSAVG: 2109200 25.0291 13.5464 -28.8005 13.046 -24.3611 -56.8403 -32.8534 -57.6572 -27.6758 TIMING: 2109200 CPU: 6119.7, 0.00289373/step Wall: 6119.7, 0.00289373/step, 2.32366 hours remaining, 205.941406 MB of memory in use. ENERGY: 2109200 786.4972 2090.7820 1975.4742 116.4748 -206073.6629 17936.0644 0.0000 0.0000 34292.4585 -148875.9119 299.4846 -183168.3703 -148788.7405 299.8225 -78.5498 -45.6938 559769.5703 -9.0874 -9.0026 PRESSURE: 2109400 127.202 47.5752 33.4654 47.5754 107.856 -107.466 33.4643 -107.467 76.5281 GPRESSURE: 2109400 58.6072 30.9567 -63.1779 98.734 151.163 -105.969 56.4841 -61.4934 197.608 PRESSAVG: 2109400 -9.07268 -4.5447 36.6835 -4.54476 14.226 -8.9083 36.6835 -8.90829 2.40413 GPRESSAVG: 2109400 -9.3379 -7.27791 34.6827 -3.94837 15.1139 -9.64098 37.3181 -9.744 1.6519 TIMING: 2109400 CPU: 6120.28, 0.00291316/step Wall: 6120.28, 0.00291316/step, 2.33911 hours remaining, 205.941406 MB of memory in use. ENERGY: 2109400 735.9623 2141.6007 1984.2713 104.3971 -206079.1739 17885.7936 0.0000 0.0000 34217.2812 -149009.8677 298.8280 -183227.1489 -148912.6423 299.5518 103.8618 135.7926 557609.4356 2.5192 2.4760 PRESSURE: 2109600 -26.7145 13.1356 -92.2684 13.1355 -170.265 76.8177 -92.2678 76.8186 8.72772 GPRESSURE: 2109600 -19.3605 -81.459 -145.45 135.181 -121.878 100.25 -86.9991 99.3461 55.8817 PRESSAVG: 2109600 29.2033 -9.01792 11.6946 -9.01791 11.1561 23.3271 11.6945 23.3271 21.7726 GPRESSAVG: 2109600 28.4181 -6.26035 11.6469 -10.6477 11.139 25.7308 11.9976 22.3366 22.4316 TIMING: 2109600 CPU: 6120.86, 0.00291825/step Wall: 6120.86, 0.00291825/step, 2.34303 hours remaining, 205.941406 MB of memory in use. ENERGY: 2109600 732.6386 2048.0940 1954.8369 127.4002 -206021.9900 17640.7158 0.0000 0.0000 34476.9464 -149041.3581 301.0957 -183518.3045 -148945.3546 300.1011 -62.7506 -28.4523 558166.8728 20.7107 20.6629 PRESSURE: 2109800 -175.937 -73.1141 36.387 -73.1155 -166.1 32.2029 36.3858 32.2034 -113.921 GPRESSURE: 2109800 -121.749 -38.2547 12.2617 -124.901 -145.969 30.1045 104.531 22.6139 -90.5074 PRESSAVG: 2109800 -14.9028 -18.5332 43.9436 -18.5331 -60.0916 16.5495 43.9435 16.5495 83.3413 GPRESSAVG: 2109800 -14.6379 -18.3343 44.7397 -18.7711 -60.1262 14.8886 44.8238 15.0048 83.2315 TIMING: 2109800 CPU: 6121.44, 0.00289632/step Wall: 6121.44, 0.00289632/step, 2.32526 hours remaining, 205.941406 MB of memory in use. ENERGY: 2109800 745.5909 2156.7493 1991.4061 109.0500 -206147.0038 17684.6183 0.0000 0.0000 34377.9224 -149081.6667 300.2309 -183459.5891 -148988.1513 299.5179 -151.9861 -119.4085 558027.2564 2.7823 2.8225 PRESSURE: 2110000 -252.756 -0.117998 122.908 -0.119466 168.864 101.667 122.908 101.667 -78.8704 GPRESSURE: 2110000 -103.78 71.475 228.404 -54.3843 134.646 144.246 119.176 -51.6386 -95.2872 PRESSAVG: 2110000 -22.6297 -33.9384 50.5536 -33.9383 8.11577 0.102551 50.5536 0.102478 6.44962 GPRESSAVG: 2110000 -21.556 -34.5952 48.832 -32.9914 7.53573 0.759202 52.696 3.84717 6.88822 TIMING: 2110000 CPU: 6122.02, 0.0028983/step Wall: 6122.02, 0.0028983/step, 2.32669 hours remaining, 206.066406 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: 2110000 719.8157 2092.8751 1958.3015 120.6293 -206029.1971 17832.5065 0.0000 0.0000 34441.4597 -148863.6094 300.7858 -183305.0691 -148763.0020 299.6303 -54.2542 -21.4736 558891.0475 -2.6881 -2.3773 PRESSURE: 2110200 111.201 53.7787 86.5846 53.7801 22.8137 30.129 86.585 30.1295 186.526 GPRESSURE: 2110200 99.6868 55.7372 63.4789 -13.4505 101.942 -16.259 165.123 97.2965 209.122 PRESSAVG: 2110200 39.4633 -59.4289 -18.1652 -59.4289 -77.0147 39.9336 -18.1651 39.9336 -2.14889 GPRESSAVG: 2110200 39.2007 -60.7899 -18.4054 -58.1905 -77.8007 39.6846 -20.2707 38.9724 -1.56514 TIMING: 2110200 CPU: 6122.6, 0.00288985/step Wall: 6122.6, 0.00288985/step, 2.31974 hours remaining, 206.066406 MB of memory in use. ENERGY: 2110200 736.9879 2092.1767 1952.5507 125.9510 -206112.0112 18091.5140 0.0000 0.0000 34166.1562 -148946.6746 298.3815 -183112.8308 -148845.0470 299.8842 106.8468 136.9169 558741.0429 -13.2334 -13.3884 PRESSURE: 2110400 63.1611 -106.139 21.2865 -106.14 -299.651 -37.5515 21.2874 -37.5529 -231.598 GPRESSURE: 2110400 98.9261 -17.8203 -6.83455 -90.2823 -226.003 -40.1542 13.6631 33.6393 -249.129 PRESSAVG: 2110400 29.4533 -77.9633 0.360678 -77.9634 11.2957 28.904 0.360612 28.904 -58.1884 GPRESSAVG: 2110400 29.8332 -76.802 1.99365 -77.7064 11.6759 27.6529 0.689957 29.6856 -59.1808 TIMING: 2110400 CPU: 6123.18, 0.00289497/step Wall: 6123.18, 0.00289497/step, 2.3237 hours remaining, 206.066406 MB of memory in use. ENERGY: 2110400 731.7028 2075.6806 1956.5719 101.9403 -205623.9867 17578.8846 0.0000 0.0000 34393.0469 -148786.1596 300.3630 -183179.2065 -148692.4943 299.3806 -156.0296 -125.4021 559817.5590 -5.8131 -5.8906 PRESSURE: 2110600 90.9307 -159.301 135.518 -159.302 220.153 64.9243 135.518 64.9236 -104.586 GPRESSURE: 2110600 147.877 -215.386 167.638 -121.477 236.381 82.2146 97.5548 -18.1197 -83.3185 PRESSAVG: 2110600 55.1829 -47.279 15.3819 -47.279 -45.6441 -25.2714 15.3819 -25.2714 -10.3636 GPRESSAVG: 2110600 54.3274 -47.2893 13.9429 -48.0391 -46.8484 -24.8123 14.3113 -24.195 -8.06136 TIMING: 2110600 CPU: 6123.76, 0.00290503/step Wall: 6123.76, 0.00290502/step, 2.33161 hours remaining, 206.066406 MB of memory in use. ENERGY: 2110600 720.3327 2057.2606 1958.3820 104.9791 -205608.3808 17714.5995 0.0000 0.0000 34282.8285 -148769.9986 299.4005 -183052.8271 -148665.5359 299.6084 68.8325 100.3132 557710.4459 -0.2749 -0.1941 PRESSURE: 2110800 -94.2043 -22.2914 26.4102 -22.2915 31.7561 25.8727 26.4106 25.8728 125.53 GPRESSURE: 2110800 -92.1878 -0.234745 53.0304 -15.2023 123.779 -18.0694 51.4279 -27.4695 126.817 PRESSAVG: 2110800 -53.312 47.0021 90.1378 47.002 28.2061 -27.3343 90.1379 -27.3342 24.4742 GPRESSAVG: 2110800 -52.9086 46.5384 90.768 47.1278 28.7977 -28.738 91.3093 -29.8248 23.4267 TIMING: 2110800 CPU: 6124.34, 0.00289321/step Wall: 6124.34, 0.00289321/step, 2.32196 hours remaining, 206.066406 MB of memory in use. ENERGY: 2110800 771.6659 2080.6461 1962.5298 120.7301 -205885.2761 17779.3381 0.0000 0.0000 34445.1154 -148725.2508 300.8178 -183170.3662 -148632.0434 299.9113 21.0273 52.8028 558175.6738 -0.2106 -0.2280 PRESSURE: 2111000 300.545 -8.55184 -56.8646 -8.55088 102.543 122.883 -56.8646 122.884 232.758 GPRESSURE: 2111000 316.811 -110.026 0.81193 154.654 137.783 177.908 -51.6233 34.4677 277.94 PRESSAVG: 2111000 -29.2284 -34.6326 22.3219 -34.6326 6.68267 -1.77612 22.3218 -1.776 2.06715 GPRESSAVG: 2111000 -29.8446 -33.135 23.9254 -35.3705 7.04624 0.771518 20.856 -2.01766 2.49918 TIMING: 2111000 CPU: 6124.92, 0.00291068/step Wall: 6124.92, 0.00291068/step, 2.33582 hours remaining, 206.066406 MB of memory in use. ENERGY: 2111000 720.3337 2112.6449 1972.7009 114.6134 -206172.8493 17976.3474 0.0000 0.0000 34459.7651 -148816.4440 300.9457 -183276.2091 -148720.0708 300.5813 211.9486 244.1778 556594.0572 -6.8262 -6.7664 PRESSURE: 2111200 129.14 -100.064 139.76 -100.064 -298.975 40.8664 139.76 40.8666 -2.45737 GPRESSURE: 2111200 126.843 -43.1876 126.709 -147.604 -245.83 16.5387 167.205 35.0405 37.7736 PRESSAVG: 2111200 66.1691 -1.48231 -35.6807 -1.48241 -30.9466 6.42666 -35.6806 6.4266 -73.3537 GPRESSAVG: 2111200 67.3121 -3.62318 -34.763 0.166802 -31.2321 3.42898 -37.9942 6.42381 -74.0266 TIMING: 2111200 CPU: 6125.5, 0.002911/step Wall: 6125.5, 0.002911/step, 2.33591 hours remaining, 206.066406 MB of memory in use. ENERGY: 2111200 741.1321 2024.1328 1962.4779 122.9205 -205828.3000 17723.7412 0.0000 0.0000 34423.3925 -148830.5029 300.6280 -183253.8955 -148730.8354 299.9996 -57.4306 -27.0714 557834.3073 -12.7104 -12.6488 PRESSURE: 2111400 -95.9491 169.419 -159.165 169.42 134.816 162.906 -159.166 162.907 -104.216 GPRESSURE: 2111400 -117.682 171.966 -110.244 159.986 155.888 162.12 -98.1594 111.088 -21.8534 PRESSAVG: 2111400 -11.9164 8.52752 9.54617 8.52745 -13.347 0.330471 9.54631 0.33048 -3.36554 GPRESSAVG: 2111400 -12.9355 8.42926 8.91787 7.73225 -12.7564 2.89358 13.7156 -1.02074 -2.63738 TIMING: 2111400 CPU: 6126.08, 0.00289807/step Wall: 6126.08, 0.00289807/step, 2.32538 hours remaining, 206.066406 MB of memory in use. ENERGY: 2111400 750.9627 2104.4846 1960.4364 114.6961 -205801.5255 17626.6449 0.0000 0.0000 34421.4075 -148822.8933 300.6107 -183244.3008 -148724.4986 300.8254 -21.7831 5.4510 557440.0986 -9.5430 -9.4431 PRESSURE: 2111600 49.7942 -8.25397 45.7514 -8.25494 53.4814 13.7029 45.7522 13.7019 -56.9724 GPRESSURE: 2111600 60.2687 -21.2261 17.736 -88.0057 116.196 8.25635 -21.8866 -29.6452 -21.7172 PRESSAVG: 2111600 34.4026 49.8727 13.34 49.8726 -87.5738 -37.6951 13.34 -37.6951 41.7398 GPRESSAVG: 2111600 35.602 50.6891 14.0199 50.2686 -87.5528 -39.8203 9.91051 -34.46 40.7298 TIMING: 2111600 CPU: 6126.66, 0.0028954/step Wall: 6126.66, 0.0028954/step, 2.32308 hours remaining, 206.066406 MB of memory in use. ENERGY: 2111600 726.8284 2117.3903 1979.3315 127.4825 -205899.2737 17772.0740 0.0000 0.0000 34357.0077 -148819.1593 300.0483 -183176.1670 -148725.7176 301.0487 15.4344 51.5825 556059.4356 -3.8105 -3.7403 PRESSURE: 2111800 -30.9302 129.096 -263.841 129.096 -58.3513 3.66013 -263.84 3.65986 -277.477 GPRESSURE: 2111800 -18.5778 144.192 -215.204 111.18 -38.2353 26.3348 -255.464 82.2549 -218.162 PRESSAVG: 2111800 91.464 19.986 46.178 19.9861 -32.299 82.4003 46.178 82.4004 -59.3286 GPRESSAVG: 2111800 91.1452 20.3197 44.5037 18.7661 -31.7341 83.2985 48.3188 82.1502 -59.4112 TIMING: 2111800 CPU: 6127.24, 0.00288557/step Wall: 6127.24, 0.00288557/step, 2.31503 hours remaining, 206.066406 MB of memory in use. ENERGY: 2111800 731.2064 2094.1697 1955.1865 121.3191 -205500.3603 17371.7356 0.0000 0.0000 34592.5130 -148634.2299 302.1050 -183226.7429 -148526.1501 300.9504 -122.2528 -91.6583 557119.5278 -0.0545 -0.0001 PRESSURE: 2112000 -135.672 87.1407 -72.5582 87.139 36.0652 -36.8566 -72.5582 -36.8589 37.6945 GPRESSURE: 2112000 -160.953 130.356 -33.4104 101.541 76.5555 0.883852 -198.34 -3.82562 119.357 PRESSAVG: 2112000 86.4971 76.6755 8.89365 76.6755 -20.2294 16.5246 8.89369 16.5246 -39.3341 GPRESSAVG: 2112000 86.6812 76.048 10.5847 77.4639 -21.7421 16.4658 6.80043 15.2483 -38.2696 TIMING: 2112000 CPU: 6127.82, 0.00289213/step Wall: 6127.82, 0.00289213/step, 2.32013 hours remaining, 206.066406 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: 2112000 719.4665 2113.4817 1967.0611 112.4679 -205864.4159 17635.4308 0.0000 0.0000 34662.1289 -148654.3790 302.7130 -183316.5079 -148560.9530 300.7521 -20.6373 11.6531 556503.2935 8.9779 8.8898 PRESSURE: 2112200 -171.445 99.301 -121.624 99.2995 -123.887 -71.2875 -121.623 -71.2872 166.12 GPRESSURE: 2112200 -167.013 107.047 -114.938 49.1863 2.83905 -54.0277 -47.5047 -42.25 139.337 PRESSAVG: 2112200 -2.72656 -22.2395 -5.70604 -22.2395 38.0514 33.8971 -5.70597 33.8971 -56.5232 GPRESSAVG: 2112200 -2.23482 -21.699 -7.74666 -24.2671 38.6229 34.1396 -1.07164 32.8925 -57.2302 TIMING: 2112200 CPU: 6128.4, 0.00289767/step Wall: 6128.4, 0.00289767/step, 2.32442 hours remaining, 206.066406 MB of memory in use. ENERGY: 2112200 724.3264 2104.3726 1963.8695 105.7747 -205609.9297 17631.9051 0.0000 0.0000 34356.5622 -148723.1192 300.0444 -183079.6815 -148629.9289 301.1033 -43.0709 -8.2792 558674.6627 -7.0661 -6.9474 LDB: ============= START OF LOAD BALANCING ============== 6131.86 LDB: ============== END OF LOAD BALANCING =============== 6131.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6131.86 LDB: ============= START OF LOAD BALANCING ============== 6132.15 LDB: Largest compute 4820 load 0.031266 is 26.6% of average load 0.117705 LDB: Average compute 0.001732 is 1.5% of average load 0.117705 LDB: TIME 6132.15 LOAD: AVG 0.117705 MAX 0.178524 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 6132.15 LOAD: AVG 0.117705 MAX 0.178524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 6132.15 LOAD: AVG 0.117705 MAX 0.178524 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6132.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6132.16 PRESSURE: 2112400 -117.099 4.40432 8.79718 4.40387 263.216 -106.981 8.79744 -106.982 25.4388 GPRESSURE: 2112400 -95.1659 34.228 15.2576 25.6948 327.225 -131.55 -34.9718 -124.8 38.6964 PRESSAVG: 2112400 46.0243 55.9695 2.10512 55.9695 -55.2292 -11.3201 2.10503 -11.32 -2.8302 GPRESSAVG: 2112400 44.7616 56.3465 4.58798 56.9899 -55.6213 -13.4975 -1.51809 -9.86028 -1.49176 TIMING: 2112400 CPU: 6128.99, 0.00294367/step Wall: 6128.99, 0.00294367/step, 2.36115 hours remaining, 207.214844 MB of memory in use. ENERGY: 2112400 739.8746 2056.3941 1943.3531 126.6856 -205847.1811 17797.1080 0.0000 0.0000 34372.9161 -148810.8495 300.1872 -183183.7656 -148723.2663 300.0055 57.1854 90.2517 557353.6632 -4.0117 -4.1172 PRESSURE: 2112600 14.8034 -16.3837 -51.0149 -16.3826 201.744 -132.301 -51.0141 -132.301 123.226 GPRESSURE: 2112600 56.9322 -105.569 -21.9915 21.5978 260.322 -90.9326 -70.9143 -162.891 105.776 PRESSAVG: 2112600 11.7376 42.8417 -10.3168 42.8418 44.733 -17.4463 -10.3169 -17.4463 -11.2683 GPRESSAVG: 2112600 13.5802 39.98 -11.6878 43.9853 44.8832 -14.128 -9.74595 -19.1341 -13.3625 TIMING: 2112600 CPU: 6129.56, 0.00288206/step Wall: 6129.56, 0.00288206/step, 2.31158 hours remaining, 207.414062 MB of memory in use. ENERGY: 2112600 728.3458 2125.4911 1938.6067 103.0724 -205894.8180 17835.4955 0.0000 0.0000 34378.4571 -148785.3495 300.2356 -183163.8066 -148689.9923 300.8120 113.2580 141.0100 556418.4505 15.0675 15.0337 PRESSURE: 2112800 216.137 -12.9669 43.8861 -12.9655 -425.329 -117.057 43.8867 -117.057 78.7984 GPRESSURE: 2112800 199.448 2.25939 75.1555 26.1093 -397.215 -141.381 -0.421495 -97.0505 162.691 PRESSAVG: 2112800 -18.135 22.5909 -3.18574 22.5908 -10.8715 -37.1082 -3.18585 -37.1082 0.936695 GPRESSAVG: 2112800 -18.9126 24.854 -2.21946 19.4591 -10.4597 -40.2279 -4.73373 -35.007 1.33522 TIMING: 2112800 CPU: 6130.14, 0.00288331/step Wall: 6130.14, 0.00288331/step, 2.31242 hours remaining, 207.414062 MB of memory in use. ENERGY: 2112800 741.2090 2128.9662 1967.5474 111.5009 -206035.6175 17770.6996 0.0000 0.0000 34232.8972 -149082.7972 298.9644 -183315.6944 -148983.2764 300.3156 -43.4644 -11.6920 557166.6039 -9.3566 -9.3457 PRESSURE: 2113000 127.76 -149.054 43.7153 -149.055 5.02375 8.75463 43.7156 8.75558 153.736 GPRESSURE: 2113000 214.957 -129.59 44.8926 -165.147 27.5296 73.7192 78.3079 67.0806 144.213 PRESSAVG: 2113000 51.3582 -16.969 56.6989 -16.9691 -51.8036 -30.3806 56.6989 -30.3806 55.2304 GPRESSAVG: 2113000 51.8629 -18.1266 55.2125 -15.6421 -52.7794 -29.676 58.4386 -28.7999 55.4099 TIMING: 2113000 CPU: 6130.72, 0.00288832/step Wall: 6130.72, 0.00288832/step, 2.31627 hours remaining, 207.414062 MB of memory in use. ENERGY: 2113000 717.8869 2064.5982 1964.5295 118.3489 -205851.9324 17720.9685 0.0000 0.0000 34089.1303 -149176.4700 297.7089 -183265.6003 -149081.4283 299.4784 95.5065 128.9000 555732.2802 18.2616 18.1645 PRESSURE: 2113200 68.5246 48.9346 152.779 48.9352 183.754 -69.0955 152.777 -69.0946 212.234 GPRESSURE: 2113200 109.811 36.5295 97.3864 46.5946 211.528 -67.8335 142.882 -100.821 254.023 PRESSAVG: 2113200 33.4407 -9.12859 2.32841 -9.12859 -51.9459 -7.53319 2.32843 -7.53313 75.0736 GPRESSAVG: 2113200 32.4126 -9.8531 2.51617 -8.51798 -51.9535 -5.45664 2.30734 -11.3688 75.515 TIMING: 2113200 CPU: 6131.29, 0.00287998/step Wall: 6131.29, 0.00287998/step, 2.30942 hours remaining, 207.671875 MB of memory in use. ENERGY: 2113200 726.7058 2072.9174 1956.0805 106.2216 -206383.0548 18001.8115 0.0000 0.0000 34284.6708 -149234.6472 299.4166 -183519.3180 -149142.8684 299.1588 154.8375 191.7872 554127.6398 18.8561 18.6580 PRESSURE: 2113400 18.9973 20.9903 -113.995 20.9909 -199.249 -10.0615 -113.993 -10.0625 50.7728 GPRESSURE: 2113400 72.885 52.9886 -111.591 -44.9982 -141.447 3.38548 -114.971 -49.1207 37.4206 PRESSAVG: 2113400 -10.5604 -29.3581 -59.1295 -29.3582 1.03716 -0.0850249 -59.1295 -0.0850417 34.4069 GPRESSAVG: 2113400 -10.2951 -27.884 -60.8548 -28.6179 0.771461 -1.24687 -58.4654 1.84353 34.2408 TIMING: 2113400 CPU: 6131.87, 0.00287802/step Wall: 6131.87, 0.00287802/step, 2.30769 hours remaining, 207.671875 MB of memory in use. ENERGY: 2113400 745.5412 2123.8130 1955.7870 110.1921 -206196.3413 17679.7488 0.0000 0.0000 34291.5021 -149289.7571 299.4762 -183581.2592 -149193.7047 300.0179 -43.1596 -10.3805 555698.2326 8.2945 8.2390 PRESSURE: 2113600 144.097 156.406 -83.4016 156.407 99.6776 84.1344 -83.4026 84.1342 148.446 GPRESSURE: 2113600 151.461 123.303 -171.581 216.774 115.215 58.9772 -86.2675 57.6172 221.526 PRESSAVG: 2113600 -20.5125 12.3732 -55.5654 12.3732 -41.3792 -8.73624 -55.5654 -8.73613 33.3286 GPRESSAVG: 2113600 -22.7047 11.5315 -53.8731 13.4395 -39.1544 -9.75483 -56.141 -7.19827 33.3613 TIMING: 2113600 CPU: 6132.45, 0.00290831/step Wall: 6132.45, 0.00290831/step, 2.33182 hours remaining, 207.671875 MB of memory in use. ENERGY: 2113600 762.1080 2129.9262 1953.0653 102.9682 -206138.5141 17844.8205 0.0000 0.0000 34132.2047 -149213.4213 298.0850 -183345.6259 -149117.7871 299.2065 130.7401 162.7338 555338.9165 -9.5210 -9.4993 PRESSURE: 2113800 -60.5668 -60.6269 -55.9703 -60.6278 5.88802 -255.754 -55.9696 -255.756 136.685 GPRESSURE: 2113800 -5.07808 -167.468 13.4278 -79.1283 7.6031 -256.527 -140.892 -183.268 181.556 PRESSAVG: 2113800 -67.5846 17.1228 -12.856 17.1227 73.8753 -59.1137 -12.8561 -59.1138 11.6395 GPRESSAVG: 2113800 -66.5645 19.6679 -13.1894 14.6048 72.5821 -58.116 -11.9865 -61.955 11.5891 TIMING: 2113800 CPU: 6133.03, 0.002899/step Wall: 6133.03, 0.002899/step, 2.32419 hours remaining, 207.671875 MB of memory in use. ENERGY: 2113800 755.0905 2144.5707 1958.0848 123.7251 -206324.6810 17880.8873 0.0000 0.0000 34058.4637 -149403.8590 297.4410 -183462.3227 -149304.5988 299.1836 27.3354 61.3603 556591.5985 5.9767 5.8689 PRESSURE: 2114000 -31.3758 80.6894 -16.2165 80.6891 8.01143 41.6519 -16.2176 41.6538 61.5032 GPRESSURE: 2114000 78.223 138.332 -38.0042 16.0716 -5.08301 39.9266 -19.0612 92.0946 68.9481 PRESSAVG: 2114000 20.3859 10.8981 -9.33674 10.8981 17.6222 -60.6447 -9.33669 -60.6447 10.1302 GPRESSAVG: 2114000 20.4253 9.40385 -8.36828 12.3091 18.7324 -61.031 -11.3039 -60.4604 9.22355 TIMING: 2114000 CPU: 6133.61, 0.00291149/step Wall: 6133.61, 0.00291149/step, 2.33405 hours remaining, 207.671875 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: 2114000 738.3162 2056.6350 1968.8361 113.9532 -206298.8450 17749.2722 0.0000 0.0000 34328.0470 -149343.7851 299.7954 -183671.8322 -149248.5022 298.8234 12.7129 47.3627 556926.2513 16.0461 16.1271 PRESSURE: 2114200 -14.5626 27.5339 -37.3436 27.5349 -98.3805 80.5099 -37.3421 80.5096 -21.0991 GPRESSURE: 2114200 -7.80711 47.3744 -87.6 1.43551 -8.21031 130.551 -87.3092 28.8874 -3.46182 PRESSAVG: 2114200 57.1509 25.0509 22.3645 25.0509 -39.7756 -15.996 22.3644 -15.9959 11.3092 GPRESSAVG: 2114200 56.8528 25.0901 21.6474 24.7166 -40.9078 -15.4509 22.6554 -15.9958 13.3213 TIMING: 2114200 CPU: 6134.19, 0.00289615/step Wall: 6134.19, 0.00289615/step, 2.32159 hours remaining, 207.671875 MB of memory in use. ENERGY: 2114200 729.4955 2112.3192 1951.3574 115.5286 -206208.4371 17724.9368 0.0000 0.0000 34205.1318 -149369.6679 298.7219 -183574.7996 -149273.3498 297.8569 -44.6807 -6.4931 557693.1973 9.5615 9.7554 PRESSURE: 2114400 -65.8363 -6.3335 -110.581 -6.33418 -268.76 83.573 -110.582 83.5749 227.356 GPRESSURE: 2114400 -28.9097 83.1866 -151.516 -96.8108 -182.556 35.3484 -31.5255 118.433 209.359 PRESSAVG: 2114400 -5.47703 0.873985 -53.8745 0.873999 -85.5708 -3.03861 -53.8745 -3.0386 40.855 GPRESSAVG: 2114400 -5.0822 0.215125 -53.4459 0.414818 -85.0935 -3.92953 -53.186 -2.2754 40.1257 TIMING: 2114400 CPU: 6134.77, 0.00289752/step Wall: 6134.77, 0.00289752/step, 2.32252 hours remaining, 207.671875 MB of memory in use. ENERGY: 2114400 788.1088 2111.6768 1964.0891 104.4406 -206337.1666 17844.0599 0.0000 0.0000 34108.0245 -149416.7671 297.8739 -183524.7915 -149322.6845 298.3417 -35.7468 -0.7022 556827.5751 -16.7309 -16.6833 PRESSURE: 2114600 -93.7128 102.295 -33.0426 102.295 -291.133 -2.99816 -33.0437 -2.99897 -86.8472 GPRESSURE: 2114600 -97.5345 125.651 -38.933 151.62 -230.911 -22.613 -67.2306 131.141 -53.4248 PRESSAVG: 2114600 97.6218 -40.7119 -30.9701 -40.712 -126.688 -48.0798 -30.9701 -48.0798 41.6951 GPRESSAVG: 2114600 97.5224 -41.3605 -32.0217 -39.2869 -125.87 -48.4714 -30.3239 -48.3705 41.0192 TIMING: 2114600 CPU: 6135.35, 0.00290142/step Wall: 6135.35, 0.00290142/step, 2.32549 hours remaining, 207.671875 MB of memory in use. ENERGY: 2114600 781.3783 2121.2962 1948.4832 119.5109 -206120.9109 17636.1919 0.0000 0.0000 34294.2100 -149219.8405 299.4999 -183514.0504 -149123.5004 298.8702 -157.2311 -127.2900 557323.5216 4.2097 4.2239 PRESSURE: 2114800 -261.265 -78.2509 19.4589 -78.2502 12.2168 4.33322 19.4587 4.33441 63.968 GPRESSURE: 2114800 -183.317 -149.641 -30.3487 -15.7874 -3.93651 -14.7045 51.0652 -90.7213 99.9804 PRESSAVG: 2114800 62.9845 66.6288 9.74618 66.6288 -34.2779 -27.0454 9.74617 -27.0454 -9.63392 GPRESSAVG: 2114800 62.2412 68.3905 9.77828 65.5303 -35.4485 -25.3299 8.71573 -28.2773 -8.1405 TIMING: 2114800 CPU: 6135.93, 0.00291752/step Wall: 6135.93, 0.00291752/step, 2.33823 hours remaining, 207.671875 MB of memory in use. ENERGY: 2114800 764.5143 2143.9608 1936.7713 108.8525 -206114.3782 17720.6874 0.0000 0.0000 34307.2359 -149132.3560 299.6136 -183439.5920 -149039.0185 299.2754 -61.6935 -29.0910 557138.6489 6.3575 6.2174 PRESSURE: 2115000 -116.557 197.422 -101.864 197.422 -225.515 -100.558 -101.865 -100.557 71.7066 GPRESSURE: 2115000 -105.745 136.829 -100.22 188.913 -156.751 -96.1009 -39.9153 -210.765 93.8027 PRESSAVG: 2115000 32.1532 4.31397 40.7017 4.31399 -64.2969 -44.4523 40.7017 -44.4522 58.8056 GPRESSAVG: 2115000 33.1296 3.42262 43.8172 3.78768 -64.5506 -46.1729 39.0728 -44.9449 57.9158 TIMING: 2115000 CPU: 6136.52, 0.0029303/step Wall: 6136.52, 0.0029303/step, 2.34831 hours remaining, 207.671875 MB of memory in use. ENERGY: 2115000 757.3885 2151.2242 1959.0169 112.2674 -206189.5640 17801.4714 0.0000 0.0000 34350.4904 -149057.7052 299.9914 -183408.1956 -148954.0903 300.0691 -90.1220 -56.2311 557942.6377 8.8873 8.8316 PRESSURE: 2115200 -406.322 47.1393 -40.4003 47.1385 -228.684 -189.3 -40.401 -189.3 -23.608 GPRESSURE: 2115200 -405.595 32.9759 -124.005 121.247 -160.784 -113.476 8.77327 -246.146 9.0168 PRESSAVG: 2115200 31.0522 26.4732 -1.44404 26.4732 -44.9478 -60.6114 -1.44407 -60.6113 47.462 GPRESSAVG: 2115200 30.9549 26.9925 -3.46474 27.3797 -44.295 -60.9892 0.386848 -59.3119 47.2757 TIMING: 2115200 CPU: 6137.11, 0.00292958/step Wall: 6137.11, 0.00292958/step, 2.34757 hours remaining, 207.875000 MB of memory in use. ENERGY: 2115200 733.1730 2180.0805 1970.6707 117.5963 -205830.8826 17408.2866 0.0000 0.0000 34374.8604 -149046.2152 300.2042 -183421.0755 -148942.6028 299.6974 -219.5378 -185.7873 558557.0724 11.1888 11.3119 PRESSURE: 2115400 120.876 101.806 -4.89699 101.806 -312.452 59.2981 -4.89739 59.2973 -251.694 GPRESSURE: 2115400 115.093 -6.30389 20.5435 80.4346 -257.894 18.8829 5.34398 40.1281 -200.122 PRESSAVG: 2115400 61.4973 19.7092 20.563 19.7092 3.30018 -9.74305 20.563 -9.74308 -73.4652 GPRESSAVG: 2115400 61.3875 18.8358 21.5307 19.8273 3.06654 -8.89982 17.9998 -10.5082 -73.4164 TIMING: 2115400 CPU: 6137.69, 0.00290033/step Wall: 6137.69, 0.00290033/step, 2.32397 hours remaining, 207.875000 MB of memory in use. ENERGY: 2115400 787.2741 2111.9623 1985.2811 107.4663 -205854.2659 17582.2298 0.0000 0.0000 34389.0889 -148890.9634 300.3285 -183280.0524 -148791.8140 300.0311 -147.7566 -114.3076 558691.2658 -2.8893 -2.9874 PRESSURE: 2115600 -178.609 -25.2121 104.542 -25.212 -275.042 -51.7407 104.542 -51.7395 -297.344 GPRESSURE: 2115600 -106.649 -12.0562 1.52452 -8.74483 -235.704 37.8771 137.693 -80.2971 -301.581 PRESSAVG: 2115600 85.5629 24.0887 27.4075 24.0886 -25.8199 -9.49887 27.4075 -9.49877 -17.0758 GPRESSAVG: 2115600 85.3854 24.4432 25.0104 22.5478 -25.701 -9.51913 29.2478 -9.0967 -17.2115 TIMING: 2115600 CPU: 6138.27, 0.00292325/step Wall: 6138.27, 0.00292325/step, 2.34217 hours remaining, 207.875000 MB of memory in use. ENERGY: 2115600 768.8534 2108.4536 1963.4684 116.3962 -205728.9806 17451.3705 0.0000 0.0000 34417.8851 -148902.5534 300.5800 -183320.4385 -148805.7385 300.5027 -250.3319 -214.6445 558337.1747 14.2224 14.1576 PRESSURE: 2115800 -50.1901 78.9173 116.839 78.9175 -138.215 76.046 116.841 76.0454 -53.1269 GPRESSURE: 2115800 22.7225 126.818 104.853 121.327 -105.43 153.051 180.6 -41.1819 -59.4566 PRESSAVG: 2115800 41.9958 58.4795 5.75535 58.4794 -32.8662 -47.5616 5.7553 -47.5616 37.0863 GPRESSAVG: 2115800 42.3742 58.1748 7.61677 59.4221 -33.0248 -48.32 5.60645 -47.4492 36.8207 TIMING: 2115800 CPU: 6138.85, 0.00291138/step Wall: 6138.85, 0.00291138/step, 2.3325 hours remaining, 207.875000 MB of memory in use. ENERGY: 2115800 746.4317 2105.2808 1977.2484 97.6750 -206041.8454 17743.3405 0.0000 0.0000 34320.9869 -149050.8822 299.7337 -183371.8691 -148954.8395 300.8900 -80.5107 -47.3881 556850.5286 15.4053 15.3900 PRESSURE: 2116000 -31.5724 -47.6158 121.068 -47.617 -210.036 86.0637 121.068 86.0647 63.1166 GPRESSURE: 2116000 5.56362 -70.8855 133.984 14.9781 -178.462 120.638 108.446 62.999 89.4735 PRESSAVG: 2116000 -2.99773 7.00902 -14.6294 7.00899 -45.6772 -10.8767 -14.6294 -10.8767 27.4013 GPRESSAVG: 2116000 -3.06704 7.46702 -16.744 7.50636 -46.0064 -8.9425 -13.1072 -12.8414 27.6176 TIMING: 2116000 CPU: 6139.44, 0.00291944/step Wall: 6139.44, 0.00291944/step, 2.33879 hours remaining, 207.875000 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: 2116000 740.5976 2108.0375 1970.7279 96.2034 -205439.0766 17507.5052 0.0000 0.0000 34233.9841 -148782.0209 298.9739 -183016.0050 -148687.3216 300.4947 -59.4972 -27.8083 557737.0945 -7.0912 -7.1519 PRESSURE: 2116200 -55.7751 -1.06917 -125.572 -1.06889 71.0143 112.862 -125.573 112.862 141.735 GPRESSURE: 2116200 -1.48715 29.8164 -130.293 -32.3275 77.0495 56.1185 -108.9 134.978 170.169 PRESSAVG: 2116200 21.7051 63.1898 -12.2616 63.1898 22.2366 -16.5121 -12.2616 -16.5122 -4.54369 GPRESSAVG: 2116200 21.5688 63.3429 -10.2823 60.5562 21.8722 -19.4791 -14.1147 -13.7356 -4.5053 TIMING: 2116200 CPU: 6140.02, 0.00289878/step Wall: 6140.02, 0.00289878/step, 2.32208 hours remaining, 207.875000 MB of memory in use. ENERGY: 2116200 762.2710 2131.4158 1960.7967 122.2686 -205948.7034 17815.0061 0.0000 0.0000 34482.2276 -148674.7176 301.1419 -183156.9452 -148569.9169 301.1262 52.3248 81.9105 558043.0109 13.1327 12.9786 LDB: ============= START OF LOAD BALANCING ============== 6143.48 LDB: ============== END OF LOAD BALANCING =============== 6143.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6143.48 LDB: ============= START OF LOAD BALANCING ============== 6143.78 LDB: Largest compute 4820 load 0.031352 is 26.6% of average load 0.117704 LDB: Average compute 0.001729 is 1.5% of average load 0.117704 LDB: TIME 6143.79 LOAD: AVG 0.117704 MAX 0.179466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6143.79 LOAD: AVG 0.117704 MAX 0.179466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 6143.79 LOAD: AVG 0.117704 MAX 0.179466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6143.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6143.79 Info: useSync: 0 useProxySync: 0 PRESSURE: 2116400 -165.108 191.011 81.0697 191.012 -61.9864 -98.1973 81.0694 -98.1966 83.7456 GPRESSURE: 2116400 -180.88 170.095 90.7674 180.762 -34.4701 -55.9569 59.1993 -128.313 171.112 PRESSAVG: 2116400 -28.9049 41.142 23.3067 41.1419 26.5446 66.8617 23.3067 66.8617 2.38483 GPRESSAVG: 2116400 -28.5803 40.8967 22.739 42.6918 26.0471 70.3351 24.2609 64.434 2.88329 TIMING: 2116400 CPU: 6140.62, 0.00300273/step Wall: 6140.62, 0.00300273/step, 2.40519 hours remaining, 205.230469 MB of memory in use. ENERGY: 2116400 784.1650 2102.4987 1993.8595 115.9677 -205906.3597 17701.2648 0.0000 0.0000 34365.2621 -148843.3419 300.1204 -183208.6040 -148741.6973 300.7487 -47.7830 -14.7460 557889.3791 0.0082 0.1167 PRESSURE: 2116600 -67.16 -66.163 8.76851 -66.1626 -61.0956 46.3912 8.76772 46.3906 -323.274 GPRESSURE: 2116600 -68.4745 -15.5275 47.7454 -58.6722 -29.2963 -22.207 12.105 87.9272 -260.419 PRESSAVG: 2116600 5.26958 32.2998 -36.6427 32.2998 22.5369 10.0324 -36.6426 10.0323 17.8593 GPRESSAVG: 2116600 5.70326 32.9931 -37.145 33.4696 21.8587 8.80296 -36.7337 9.80044 18.3262 TIMING: 2116600 CPU: 6141.2, 0.00290007/step Wall: 6141.2, 0.00290007/step, 2.32279 hours remaining, 205.691406 MB of memory in use. ENERGY: 2116600 784.0888 2172.4229 1968.1110 118.8324 -205660.7010 17489.6327 0.0000 0.0000 34142.0193 -148985.5940 298.1707 -183127.6132 -148897.2169 300.2871 -150.5099 -119.3967 555782.6893 15.2219 15.2961 PRESSURE: 2116800 -79.5517 78.1818 -80.0734 78.1818 -58.5662 7.31905 -80.0732 7.31916 -95.4662 GPRESSURE: 2116800 -50.6269 109.512 -111.005 6.05626 -14.1175 69.5816 -66.5362 -86.2778 -65.9777 PRESSAVG: 2116800 -19.3453 6.97751 -30.7529 6.97739 53.012 42.8597 -30.7529 42.8598 -8.33841 GPRESSAVG: 2116800 -19.4205 4.54055 -31.7426 6.96412 53.7434 41.2672 -29.7153 42.6586 -9.41968 TIMING: 2116800 CPU: 6141.78, 0.00291266/step Wall: 6141.78, 0.00291266/step, 2.33272 hours remaining, 205.691406 MB of memory in use. ENERGY: 2116800 725.3281 2086.1399 1965.2585 124.0055 -205909.0192 17575.8609 0.0000 0.0000 34357.6989 -149074.7273 300.0543 -183432.4263 -148978.6010 299.0802 -77.8614 -43.5740 556389.9492 8.4427 8.3011 PRESSURE: 2117000 -357.287 112.564 -121.501 112.564 35.9718 -119.375 -121.501 -119.374 -53.251 GPRESSURE: 2117000 -320.307 102.676 -98.8569 67.2281 55.4532 -128.935 -145.428 -128.209 -14.0778 PRESSAVG: 2117000 50.5524 35.078 9.3105 35.078 14.5985 -10.9214 9.31053 -10.9213 -25.8404 GPRESSAVG: 2117000 50.153 36.3221 9.31929 34.0343 14.7336 -12.1574 9.01195 -7.3867 -25.557 TIMING: 2117000 CPU: 6142.36, 0.00289568/step Wall: 6142.36, 0.00289568/step, 2.31896 hours remaining, 205.691406 MB of memory in use. ENERGY: 2117000 754.6351 2115.1823 1949.0525 105.5941 -205609.1260 17538.8059 0.0000 0.0000 34296.7519 -148849.1042 299.5221 -183145.8561 -148755.8069 300.4214 -124.8554 -92.9770 556117.7405 13.1035 13.1099 PRESSURE: 2117200 -2.56269 118.201 76.8663 118.2 176.396 69.9976 76.8666 69.9972 -167.146 GPRESSURE: 2117200 40.7664 85.9149 172.031 260.232 202.999 58.2393 6.77084 45.8664 -124.328 PRESSAVG: 2117200 30.4248 21.3768 0.396722 21.3768 73.2522 -25.9879 0.39675 -25.988 -84.1084 GPRESSAVG: 2117200 31.1966 22.5616 2.95331 21.0449 72.4583 -23.978 -0.965427 -27.2569 -83.4562 TIMING: 2117200 CPU: 6142.94, 0.00290697/step Wall: 6142.94, 0.00290697/step, 2.32784 hours remaining, 205.691406 MB of memory in use. ENERGY: 2117200 735.8129 2055.3313 1936.9908 106.8507 -206016.9119 17829.0395 0.0000 0.0000 34296.7100 -149056.1766 299.5217 -183352.8866 -148958.4209 299.9705 2.2293 39.8125 556716.6581 6.5229 6.7329 PRESSURE: 2117400 129.28 97.0162 -83.4406 97.0156 -110.932 -42.2853 -83.4404 -42.2859 -185.307 GPRESSURE: 2117400 84.6085 125.59 -89.8116 98.6116 -27.252 -57.4476 -46.4722 -39.7487 -129.21 PRESSAVG: 2117400 42.8046 40.7962 2.74514 40.7963 -6.18801 65.5388 2.74522 65.5388 -29.9965 GPRESSAVG: 2117400 43.6755 39.8401 -1.39041 41.376 -5.84959 64.5139 5.37666 63.9309 -32.1581 TIMING: 2117400 CPU: 6143.52, 0.00290902/step Wall: 6143.52, 0.00290902/step, 2.32932 hours remaining, 205.691406 MB of memory in use. ENERGY: 2117400 701.9884 2047.0021 1976.7646 113.1975 -206049.2678 17741.3205 0.0000 0.0000 34425.2899 -149043.7049 300.6446 -183468.9948 -148949.4734 299.4326 -55.6532 -23.9511 557356.2629 2.2067 1.8893 PRESSURE: 2117600 -288.746 -23.9566 42.8502 -23.9559 -204.643 11.0036 42.8493 11.0033 -173.743 GPRESSURE: 2117600 -231.845 33.0722 88.6592 12.1152 -225.353 37.2362 104.187 -30.0397 -107.78 PRESSAVG: 2117600 -34.8989 -7.32692 22.2895 -7.32694 62.4041 44.4726 22.2895 44.4726 -26.6364 GPRESSAVG: 2117600 -36.8112 -7.35538 26.3765 -6.66195 64.191 43.9728 19.1221 45.3221 -26.3197 TIMING: 2117600 CPU: 6144.1, 0.00290693/step Wall: 6144.1, 0.00290693/step, 2.32749 hours remaining, 205.691406 MB of memory in use. ENERGY: 2117600 713.1207 2097.8558 1948.4714 113.3555 -205939.5535 17420.7383 0.0000 0.0000 34379.4733 -149266.5385 300.2445 -183646.0119 -149174.4407 300.0018 -222.3773 -188.3261 557072.8753 0.2896 0.3534 PRESSURE: 2117800 -224.462 -105.358 -32.5877 -105.358 161.727 36.5946 -32.5879 36.5949 89.5683 GPRESSURE: 2117800 -144.881 -111.099 4.68467 -114.824 137.612 41.4072 -13.0806 23.2476 121.338 PRESSAVG: 2117800 -18.3217 -0.0151672 -11.7892 -0.0151787 18.1748 71.0244 -11.7892 71.0243 63.8044 GPRESSAVG: 2117800 -17.8787 -2.19529 -10.9276 -0.270197 17.2148 72.1304 -11.5318 71.014 64.3446 TIMING: 2117800 CPU: 6144.68, 0.00288916/step Wall: 6144.68, 0.00288916/step, 2.31309 hours remaining, 205.691406 MB of memory in use. ENERGY: 2117800 752.7509 2050.7424 1978.2784 114.5754 -206395.6274 17812.4645 0.0000 0.0000 34088.8555 -149597.9603 297.7065 -183686.8158 -149506.4334 298.7634 8.9445 38.0230 556274.1095 21.2191 21.2269 PRESSURE: 2118000 -105.041 117.119 17.556 117.119 -180.162 104.127 17.5574 104.125 -336.983 GPRESSURE: 2118000 -103.402 61.6892 -22.4913 139.244 -125.486 120.354 26.4412 76.6626 -307.772 PRESSAVG: 2118000 12.8811 -9.80253 -21.7788 -9.80245 -36.9168 29.6236 -21.7787 29.6234 -2.44533 GPRESSAVG: 2118000 12.0231 -8.65505 -22.527 -10.7564 -37.5956 27.5301 -21.3461 32.3837 -1.70152 TIMING: 2118000 CPU: 6145.26, 0.00290808/step Wall: 6145.26, 0.00290808/step, 2.32808 hours remaining, 205.691406 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: 2118000 707.8688 2089.8621 1984.8363 102.5584 -205586.3910 17253.6950 0.0000 0.0000 33907.5303 -149540.0401 296.1229 -183447.5704 -149443.6589 297.7224 -207.3952 -178.8865 557094.0261 -8.8270 -9.0914 PRESSURE: 2118200 3.00156 141.647 180.182 141.648 -43.9904 -79.15 180.181 -79.1483 -6.79977 GPRESSURE: 2118200 50.7124 168.097 155.936 175.566 -8.78881 37.9295 165.558 -70.2696 2.20084 PRESSAVG: 2118200 33.0789 40.1763 20.5962 40.1762 0.929299 11.5378 20.5961 11.5379 23.6922 GPRESSAVG: 2118200 33.4427 39.6806 19.9231 39.933 1.34612 12.6938 21.2015 10.0362 22.7319 TIMING: 2118200 CPU: 6145.85, 0.00291106/step Wall: 6145.85, 0.00291106/step, 2.3303 hours remaining, 205.691406 MB of memory in use. ENERGY: 2118200 734.3431 2091.0152 1930.5736 112.0517 -206661.3937 17879.1909 0.0000 0.0000 34183.2465 -149730.9727 298.5308 -183914.2192 -149637.2214 298.4531 -15.9295 14.7082 556818.9303 19.2335 19.1736 PRESSURE: 2118400 -394.675 90.0135 69.8773 90.0128 -6.17422 3.93378 69.8776 3.93303 68.0231 GPRESSURE: 2118400 -383.917 -2.1385 29.744 144.932 94.8177 -21.9281 158.274 35.3249 49.6242 PRESSAVG: 2118400 -57.1449 26.0675 13.7979 26.0676 33.8915 -0.855 13.7979 -0.855099 32.5892 GPRESSAVG: 2118400 -57.1341 25.8658 13.5193 28.8766 34.0047 0.198986 14.9253 -1.83483 32.2453 TIMING: 2118400 CPU: 6146.43, 0.00292256/step Wall: 6146.43, 0.00292256/step, 2.33935 hours remaining, 205.691406 MB of memory in use. ENERGY: 2118400 768.1830 2054.0331 1947.6384 114.0661 -206471.2231 17858.9388 0.0000 0.0000 34090.9525 -149637.4112 297.7248 -183728.3637 -149541.5220 297.4626 -110.9420 -79.8250 556666.9693 3.1119 3.0386 PRESSURE: 2118600 101.202 -6.3817 -92.8011 -6.38319 -19.8162 -2.97308 -92.8003 -2.97292 -64.6843 GPRESSURE: 2118600 135.278 14.8935 -70.0718 -99.9933 -29.5713 -113.021 -62.0799 134.852 10.9285 PRESSAVG: 2118600 21.1412 25.0149 -0.390551 25.015 48.1917 -5.57654 -0.390559 -5.57664 -53.1981 GPRESSAVG: 2118600 20.2986 25.7489 0.0985453 23.615 48.4177 -5.59151 -2.33247 -2.18802 -53.2636 TIMING: 2118600 CPU: 6147.02, 0.00293125/step Wall: 6147.02, 0.00293125/step, 2.34614 hours remaining, 205.953125 MB of memory in use. ENERGY: 2118600 735.4733 2098.7005 1931.7788 127.2064 -206458.8076 17829.2211 0.0000 0.0000 34225.1945 -149511.2330 298.8971 -183736.4275 -149416.8373 298.6993 5.5673 38.8783 557760.2088 5.3783 5.1509 PRESSURE: 2118800 -362.897 -72.3539 38.4204 -72.3544 24.8336 82.8851 38.4213 82.8842 103.771 GPRESSURE: 2118800 -322.347 -46.7802 33.7688 -23.5236 31.6605 103.46 -30.5101 82.824 149.706 PRESSAVG: 2118800 30.4411 57.2759 -19.7125 57.2759 49.3982 42.1037 -19.7126 42.1035 -65.8263 GPRESSAVG: 2118800 30.8821 58.1511 -19.1191 55.8803 48.3415 42.3532 -18.4435 40.7072 -65.2475 TIMING: 2118800 CPU: 6147.6, 0.00294145/step Wall: 6147.6, 0.00294145/step, 2.35414 hours remaining, 205.953125 MB of memory in use. ENERGY: 2118800 751.1598 2024.2250 1962.4934 112.2163 -206327.1023 17805.4952 0.0000 0.0000 34104.2036 -149567.3090 297.8405 -183671.5126 -149465.8339 298.1091 -78.0975 -46.9933 558140.6436 4.6710 4.6587 PRESSURE: 2119000 37.8632 135.099 -21.4905 135.099 -51.817 95.0479 -21.4897 95.0477 84.405 GPRESSURE: 2119000 44.8761 184.869 -42.8483 168.395 21.1911 110.335 8.17519 -8.12951 96.4847 PRESSAVG: 2119000 -7.90529 -22.4975 4.72433 -22.4976 -56.2466 16.8561 4.72432 16.8562 44.7365 GPRESSAVG: 2119000 -7.6113 -23.4619 5.77239 -20.573 -55.6345 15.8051 3.91967 17.1484 44.3656 TIMING: 2119000 CPU: 6148.19, 0.00294737/step Wall: 6148.19, 0.00294737/step, 2.35872 hours remaining, 205.953125 MB of memory in use. ENERGY: 2119000 773.7253 2124.6979 1940.1385 106.8170 -206560.4731 17974.5253 0.0000 0.0000 34251.8468 -149388.7222 299.1299 -183640.5690 -149296.6338 298.3659 23.4837 54.1840 558130.7209 -6.4718 -6.2934 PRESSURE: 2119200 -141.89 -18.8384 -9.92576 -18.8395 -15.2734 -48.6081 -9.92589 -48.6091 154.762 GPRESSURE: 2119200 -145.373 -55.3726 -20.0069 68.3159 43.5667 -47.9277 11.875 -74.1005 178.491 PRESSAVG: 2119200 -5.97047 52.3935 13.5575 52.3935 -2.60261 15.856 13.5574 15.8559 23.1581 GPRESSAVG: 2119200 -5.20592 53.5529 11.4486 52.6952 -3.93202 14.2599 13.452 15.8315 23.8647 TIMING: 2119200 CPU: 6148.78, 0.00293492/step Wall: 6148.78, 0.00293492/step, 2.34859 hours remaining, 205.953125 MB of memory in use. ENERGY: 2119200 780.5539 2052.4099 1971.7074 99.0057 -206356.7027 17887.9926 0.0000 0.0000 34165.1475 -149399.8857 298.3727 -183565.0332 -149301.8126 298.4290 -0.8005 25.5616 558682.3806 4.8617 4.9089 PRESSURE: 2119400 356.673 -47.5018 78.9874 -47.5015 150.52 17.2406 78.9874 17.2399 -161.445 GPRESSURE: 2119400 335.79 -3.25437 59.0679 -52.9378 272.646 43.0073 146.802 44.5792 -167.895 PRESSAVG: 2119400 -33.5077 -1.65791 53.7283 -1.65787 3.93366 -24.924 53.7282 -24.9239 46.29 GPRESSAVG: 2119400 -34.4186 -2.35184 52.8779 -3.33091 6.5517 -22.8592 56.6289 -26.7954 44.8877 TIMING: 2119400 CPU: 6149.36, 0.00291494/step Wall: 6149.36, 0.00291494/step, 2.33244 hours remaining, 206.003906 MB of memory in use. ENERGY: 2119400 753.7967 2078.4585 1931.9251 109.9388 -206640.2522 18113.5083 0.0000 0.0000 34211.6444 -149440.9804 298.7788 -183652.6248 -149348.0299 298.1779 115.2495 146.8469 558053.2378 5.5720 5.6736 PRESSURE: 2119600 -212.87 95.7592 65.0849 95.7597 -132.734 11.8639 65.0852 11.8649 -187.287 GPRESSURE: 2119600 -147.841 6.18862 78.227 155.459 -100.039 46.4656 52.298 23.9834 -183.092 PRESSAVG: 2119600 -67.7993 26.6369 8.5378 26.637 36.2081 0.771423 8.53791 0.771409 31.6464 GPRESSAVG: 2119600 -67.25 25.1085 10.2233 28.4252 34.8818 0.909349 5.81394 0.9817 33.1272 TIMING: 2119600 CPU: 6149.95, 0.00292114/step Wall: 6149.95, 0.00292114/step, 2.33724 hours remaining, 206.003906 MB of memory in use. ENERGY: 2119600 757.5892 2110.3213 1964.2950 101.4224 -206148.2475 17734.2675 0.0000 0.0000 34006.8366 -149473.5155 296.9902 -183480.3520 -149377.7899 298.6897 -177.6304 -143.6573 558702.4418 0.0184 0.2530 PRESSURE: 2119800 102.112 103.632 258.131 103.633 40.993 58.0357 258.131 58.0348 10.7226 GPRESSURE: 2119800 120.885 132.368 231.485 44.3514 96.0081 83.4855 248.574 21.5682 52.4216 PRESSAVG: 2119800 -19.6761 69.2074 24.1207 69.2074 -32.2164 3.32932 24.1206 3.32921 2.66419 GPRESSAVG: 2119800 -18.5716 69.8004 22.1424 69.1811 -32.4947 2.55593 24.2813 3.68615 2.36948 TIMING: 2119800 CPU: 6150.53, 0.00290901/step Wall: 6150.53, 0.00290901/step, 2.32737 hours remaining, 206.003906 MB of memory in use. ENERGY: 2119800 751.4862 2073.4023 1938.8841 102.8012 -206666.1020 17953.6579 0.0000 0.0000 34296.7465 -149549.1238 299.5220 -183845.8703 -149455.0272 298.0442 51.2758 89.7714 556608.8008 -16.4094 -16.2323 PRESSURE: 2120000 -147.842 -80.9394 259.522 -80.941 -82.5469 -4.95887 259.522 -4.9593 186.774 GPRESSURE: 2120000 -77.6151 2.11931 190.801 -86.6007 -67.0358 -52.4448 234.356 1.66894 192.894 PRESSAVG: 2120000 -45.3855 -8.95764 28.3183 -8.9576 5.17495 39.9744 28.3184 39.9743 77.0881 GPRESSAVG: 2120000 -45.9382 -8.27859 30.7931 -9.13482 5.58926 40.4849 29.1392 38.806 77.8945 TIMING: 2120000 CPU: 6151.11, 0.0028985/step Wall: 6151.11, 0.0028985/step, 2.3188 hours remaining, 206.003906 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: 2120000 734.9894 2119.7442 1951.6549 113.1447 -206403.6176 17888.3536 0.0000 0.0000 33969.8084 -149625.9225 296.6668 -183595.7309 -149527.0285 297.7070 -14.5382 16.0810 557855.6203 12.2925 12.5152 PRESSURE: 2120200 -230.223 39.9026 -175.972 39.9028 -244.683 -174.128 -175.971 -174.13 -132.56 GPRESSURE: 2120200 -205.974 3.3914 -126.97 38.3582 -187.855 -74.04 -181.584 -220.979 -105.079 PRESSAVG: 2120200 -27.2658 -25.0428 -14.0342 -25.0427 -43.1801 5.14571 -14.0343 5.14553 66.4966 GPRESSAVG: 2120200 -28.5514 -27.0313 -16.2666 -24.5692 -42.0433 7.21799 -15.121 3.63268 66.2804 TIMING: 2120200 CPU: 6151.69, 0.0029088/step Wall: 6151.69, 0.0029088/step, 2.32688 hours remaining, 206.003906 MB of memory in use. ENERGY: 2120200 766.0664 2099.2164 1959.8421 118.2408 -206369.5862 17619.2752 0.0000 0.0000 34165.6759 -149641.2693 298.3773 -183806.9452 -149547.7074 297.4583 -202.4887 -166.3026 557026.1473 -1.3165 -1.4381 LDB: ============= START OF LOAD BALANCING ============== 6155.16 LDB: ============== END OF LOAD BALANCING =============== 6155.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6155.16 LDB: ============= START OF LOAD BALANCING ============== 6155.45 LDB: Largest compute 4820 load 0.030293 is 25.7% of average load 0.117758 LDB: Average compute 0.001723 is 1.5% of average load 0.117758 LDB: TIME 6155.45 LOAD: AVG 0.117758 MAX 0.178869 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.898 MB LDB: TIME 6155.45 LOAD: AVG 0.117758 MAX 0.178869 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: TIME 6155.45 LOAD: AVG 0.117758 MAX 0.178869 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6155.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6155.46 PRESSURE: 2120400 32.1138 29.1158 67.2517 29.1165 -30.7306 64.9866 67.2511 64.9869 -402.267 GPRESSURE: 2120400 64.4409 -1.63884 4.50262 70.5494 -29.5671 52.1059 57.9374 103.744 -342.1 PRESSAVG: 2120400 -43.6855 17.545 -30.6211 17.545 -28.4443 22.4953 -30.621 22.4953 61.5397 GPRESSAVG: 2120400 -42.9683 20.37 -30.8248 16.2405 -29.553 20.9849 -28.8237 25.1351 61.616 TIMING: 2120400 CPU: 6152.28, 0.00295363/step Wall: 6152.28, 0.00295363/step, 2.36257 hours remaining, 206.187500 MB of memory in use. ENERGY: 2120400 721.8205 2069.4448 1950.1064 114.9182 -206491.6756 17837.6590 0.0000 0.0000 34051.0417 -149746.6849 297.3762 -183797.7267 -149648.0580 298.1203 -133.6278 -102.4087 557908.0544 -3.5300 -3.6351 PRESSURE: 2120600 151.66 -260.925 8.94183 -260.925 -140.992 91.1173 8.94112 91.1167 -286.904 GPRESSURE: 2120600 166.033 -198.743 -80.7324 -174.036 -139.876 122.944 81.3058 46.4218 -208.346 PRESSAVG: 2120600 11.9876 4.88322 -20.3884 4.8832 14.3063 14.7149 -20.3884 14.7148 -54.4149 GPRESSAVG: 2120600 12.0148 3.74784 -19.1425 5.18104 14.2212 14.3619 -22.5831 15.9302 -54.3421 TIMING: 2120600 CPU: 6152.86, 0.00288109/step Wall: 6152.86, 0.00288109/step, 2.30439 hours remaining, 206.386719 MB of memory in use. ENERGY: 2120600 727.3395 2068.3751 1970.1570 104.4374 -206607.0650 17807.0875 0.0000 0.0000 34143.6327 -149786.0358 298.1848 -183929.6685 -149697.5094 297.6092 -92.0789 -60.7298 558344.7361 -9.3736 -9.3687 PRESSURE: 2120800 -22.8891 -42.5511 77.5857 -42.5507 169.208 -13.1254 77.5863 -13.1246 -249.774 GPRESSURE: 2120800 8.52147 11.2721 134.222 -77.9115 223.503 3.70964 58.62 -107.774 -231.708 PRESSAVG: 2120800 -4.26958 -17.5113 16.3989 -17.5114 4.75271 -35.5648 16.3988 -35.5648 1.67099 GPRESSAVG: 2120800 -3.23605 -18.0473 17.1229 -19.0203 4.00625 -35.0831 16.7374 -38.1725 1.28441 TIMING: 2120800 CPU: 6153.43, 0.00288449/step Wall: 6153.43, 0.00288449/step, 2.30695 hours remaining, 206.386719 MB of memory in use. ENERGY: 2120800 733.1696 2080.1916 1936.8962 118.3720 -206863.7316 18013.0276 0.0000 0.0000 34178.6933 -149803.3814 298.4910 -183982.0747 -149707.9058 297.0680 -34.4851 0.1055 556916.3476 0.7180 0.6849 PRESSURE: 2121000 159.461 -74.9318 -1.35829 -74.9315 -2.65607 148.34 -1.3576 148.339 25.5855 GPRESSURE: 2121000 260.136 -100.149 1.76752 -112.34 -1.64992 105.159 20.7594 154.066 23.9062 PRESSAVG: 2121000 -43.6416 -39.319 39.962 -39.319 41.0629 -16.719 39.9621 -16.7191 -20.3411 GPRESSAVG: 2121000 -43.7512 -36.918 40.6226 -39.6264 42.3905 -17.0193 40.5513 -16.1329 -21.5297 TIMING: 2121000 CPU: 6154.01, 0.00289038/step Wall: 6154.01, 0.00289038/step, 2.3115 hours remaining, 206.386719 MB of memory in use. ENERGY: 2121000 707.5942 2059.9734 1973.8088 119.4201 -206529.0950 17837.8840 0.0000 0.0000 34281.4465 -149548.9680 299.3884 -183830.4145 -149455.7439 297.8969 60.7970 94.1308 556409.0097 -7.6399 -7.6301 PRESSURE: 2121200 139.858 142.465 66.1434 142.465 -83.5366 93.4049 66.1434 93.4043 -94.776 GPRESSURE: 2121200 205.215 117.188 -33.1024 55.1719 -75.2138 133.207 80.615 82.6311 -80.8782 PRESSAVG: 2121200 27.8507 2.60889 10.6291 2.60892 -13.0317 -10.966 10.6291 -10.966 -5.96171 GPRESSAVG: 2121200 27.2006 0.631244 9.90941 3.47611 -13.2343 -10.4275 10.2132 -11.7563 -5.17593 TIMING: 2121200 CPU: 6154.59, 0.0029019/step Wall: 6154.59, 0.0029019/step, 2.32056 hours remaining, 206.457031 MB of memory in use. ENERGY: 2121200 752.2357 2088.1413 1956.7771 104.5999 -206442.1980 17854.4468 0.0000 0.0000 34180.7452 -149505.2519 298.5089 -183685.9971 -149410.7818 297.8441 -12.8183 16.3745 557843.6083 2.9524 2.9302 PRESSURE: 2121400 -48.9565 -172.851 95.6868 -172.853 -392.326 -68.9081 95.6885 -68.9086 -81.8898 GPRESSURE: 2121400 -31.208 -179.821 130.357 -155.168 -352.323 -85.8152 35.2623 -108.061 -30.2478 PRESSAVG: 2121400 14.85 -60.5282 29.1999 -60.5283 -87.6848 26.3064 29.1999 26.3064 44.0452 GPRESSAVG: 2121400 14.4954 -59.4256 26.9016 -61.0425 -87.4158 26.8562 31.2917 27.5605 44.3663 TIMING: 2121400 CPU: 6155.17, 0.00290241/step Wall: 6155.17, 0.00290241/step, 2.3208 hours remaining, 206.457031 MB of memory in use. ENERGY: 2121400 758.0308 2079.7930 1962.6407 117.5439 -206131.7201 17727.4515 0.0000 0.0000 34125.4571 -149360.8032 298.0261 -183486.2603 -149269.5576 298.6238 -174.3907 -137.9261 559777.5364 -9.5966 -9.5180 PRESSURE: 2121600 -219.963 112.743 112.993 112.743 -21.4315 31.2113 112.994 31.2122 -247.208 GPRESSURE: 2121600 -131.25 110.801 131.675 32.5806 -43.9094 66.1659 120.763 27.1894 -207.099 PRESSAVG: 2121600 4.01488 -20.517 26.9656 -20.5169 9.35974 -7.07711 26.9656 -7.07711 -27.9211 GPRESSAVG: 2121600 5.21538 -20.7698 29.07 -19.2066 8.72387 -6.89905 25.6452 -8.47654 -28.1198 TIMING: 2121600 CPU: 6155.75, 0.00290363/step Wall: 6155.75, 0.00290363/step, 2.32161 hours remaining, 206.457031 MB of memory in use. ENERGY: 2121600 754.7308 2049.6243 1971.2318 113.1385 -206126.7086 17647.7508 0.0000 0.0000 34254.4854 -149335.7470 299.1529 -183590.2325 -149233.6526 298.9650 -162.8675 -127.4194 557551.2298 -4.8488 -4.7269 PRESSURE: 2121800 44.008 75.4413 -89.8748 75.4405 164.163 55.1181 -89.8747 55.1187 128.409 GPRESSURE: 2121800 114.477 72.9174 -69.2409 114.302 165.873 -42.615 -144.862 75.0113 154.595 PRESSAVG: 2121800 60.2639 14.9624 17.435 14.9624 -11.6666 9.11452 17.4349 9.11456 -2.14609 GPRESSAVG: 2121800 59.3082 16.7273 17.048 12.2679 -11.639 8.68152 17.018 11.9969 -1.46761 TIMING: 2121800 CPU: 6156.34, 0.00290941/step Wall: 6156.34, 0.00290941/step, 2.32608 hours remaining, 206.457031 MB of memory in use. ENERGY: 2121800 751.2266 2136.9917 1944.8431 118.4067 -206376.2761 18042.0360 0.0000 0.0000 34345.5829 -149037.1891 299.9485 -183382.7719 -148943.2828 299.3903 112.1936 144.9818 556881.9318 15.4837 15.4005 PRESSURE: 2122000 -114.425 -96.6797 95.1135 -96.6795 -256.709 -279.944 95.1139 -279.941 -89.9028 GPRESSURE: 2122000 -121.667 -28.8102 106.411 -225.078 -260.51 -278.759 93.8033 -236.573 22.1952 PRESSAVG: 2122000 -33.9649 -21.5081 -33.1342 -21.5081 -17.4648 -23.1392 -33.1342 -23.1391 10.1611 GPRESSAVG: 2122000 -32.8591 -21.8232 -33.4094 -19.8341 -18.4059 -22.3056 -32.5855 -25.5791 9.83845 TIMING: 2122000 CPU: 6156.92, 0.00291767/step Wall: 6156.92, 0.00291767/step, 2.33252 hours remaining, 206.457031 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: 2122000 792.3120 2043.7010 1952.4904 107.2134 -206330.4594 17676.4919 0.0000 0.0000 34576.6213 -149181.6293 301.9662 -183758.2506 -149091.6693 300.0427 -153.6790 -119.9941 556906.3030 -13.7562 -13.8088 PRESSURE: 2122200 -116.18 105.138 -125.909 105.137 -289.415 -121.82 -125.908 -121.819 56.2804 GPRESSURE: 2122200 -87.7012 113.548 3.88183 100.344 -281.754 -131.394 -194.728 -83.2326 122.945 PRESSAVG: 2122200 -8.60145 28.1717 -26.7952 28.1718 2.36375 -39.4557 -26.7952 -39.4558 23.7781 GPRESSAVG: 2122200 -9.05161 29.3534 -25.4861 28.053 3.38033 -38.8051 -26.6142 -38.3413 23.2597 TIMING: 2122200 CPU: 6157.5, 0.00291967/step Wall: 6157.5, 0.00291967/step, 2.33395 hours remaining, 206.457031 MB of memory in use. ENERGY: 2122200 763.4578 2130.1762 1944.2797 119.3879 -205923.6100 17588.0850 0.0000 0.0000 34308.1942 -149070.0293 299.6220 -183378.2234 -148972.3363 300.0259 -116.4383 -82.1699 556572.2179 5.8468 5.8628 PRESSURE: 2122400 -113.044 -149.609 95.4203 -149.609 -92.7253 121.807 95.421 121.808 -66.5971 GPRESSURE: 2122400 -65.9714 -123.988 96.4124 -106.681 -73.8971 148.127 188.988 141.656 -34.5102 PRESSAVG: 2122400 5.49107 -44.5834 -51.43 -44.5834 1.02702 -6.73363 -51.43 -6.73359 -28.4018 GPRESSAVG: 2122400 6.55094 -48.5574 -52.1933 -41.5841 -0.0261103 -8.80283 -50.9849 -6.14562 -28.851 TIMING: 2122400 CPU: 6158.09, 0.00292022/step Wall: 6158.09, 0.00292022/step, 2.33423 hours remaining, 206.457031 MB of memory in use. ENERGY: 2122400 732.6226 2122.4851 1982.2072 118.6505 -206056.0968 17621.9224 0.0000 0.0000 34490.5296 -148987.6795 301.2144 -183478.2090 -148891.1732 299.9633 -90.7887 -58.1262 557503.6255 -7.2946 -7.4421 PRESSURE: 2122600 82.2753 133.609 57.4371 133.608 -142.56 7.75576 57.4383 7.75601 54.2779 GPRESSURE: 2122600 77.2767 103.286 94.462 19.1301 -133.617 74.6932 -3.67811 -58.9732 154.842 PRESSAVG: 2122600 37.3246 -0.827468 -14.6246 -0.82745 -55.3159 6.72092 -14.6247 6.72088 40.1825 GPRESSAVG: 2122600 35.3623 1.02054 -16.3378 -6.22941 -54.087 8.2675 -14.8058 7.00991 40.4022 TIMING: 2122600 CPU: 6158.67, 0.00292485/step Wall: 6158.67, 0.00292485/step, 2.33777 hours remaining, 206.457031 MB of memory in use. ENERGY: 2122600 771.9107 2134.9928 1964.0027 119.1209 -205994.5932 17835.1716 0.0000 0.0000 34317.7346 -148851.6600 299.7053 -183169.3945 -148760.2622 300.3514 -2.0023 32.8337 557471.2607 7.3971 7.2258 PRESSURE: 2122800 -124.008 -32.1853 -49.4053 -32.1847 20.798 107.752 -49.4038 107.753 58.9293 GPRESSURE: 2122800 -123.102 -27.5416 7.26393 -89.6232 78.9421 90.0379 -125.614 75.7338 84.7656 PRESSAVG: 2122800 53.8788 -18.2974 -39.9782 -18.2974 -27.2514 47.0735 -39.9782 47.0735 7.34704 GPRESSAVG: 2122800 54.0263 -17.3627 -40.582 -15.3418 -28.4702 44.78 -41.4954 47.8863 7.78674 TIMING: 2122800 CPU: 6159.26, 0.00295295/step Wall: 6159.26, 0.00295295/step, 2.36006 hours remaining, 206.457031 MB of memory in use. ENERGY: 2122800 726.0024 2087.2546 1951.8752 122.0075 -205645.5886 17632.8476 0.0000 0.0000 34228.6250 -148896.9762 298.9271 -183125.6013 -148797.6461 299.8773 -14.7604 13.5353 557120.1420 11.3248 11.1143 PRESSURE: 2123000 -229.673 114.104 17.9953 114.104 -56.7576 90.1755 17.9954 90.1762 -42.2809 GPRESSURE: 2123000 -131.418 122.726 31.9988 39.3579 -74.8608 -1.36702 11.0758 101.245 -26.3629 PRESSAVG: 2123000 44.4541 -30.6337 29.1361 -30.6337 20.3011 -7.98599 29.1361 -7.98607 -68.7143 GPRESSAVG: 2123000 44.7415 -32.8754 31.1351 -28.9804 20.2855 -7.33392 29.7051 -9.05576 -69.2716 TIMING: 2123000 CPU: 6159.85, 0.00291508/step Wall: 6159.85, 0.00291508/step, 2.32964 hours remaining, 206.457031 MB of memory in use. ENERGY: 2123000 754.3504 2055.5706 1961.3739 123.9563 -205602.1173 17561.6907 0.0000 0.0000 34256.8518 -148888.3236 299.1736 -183145.1753 -148791.8999 299.9029 -109.5705 -77.5473 557578.0673 -1.3197 -1.4149 PRESSURE: 2123200 30.6714 147.926 7.02045 147.926 233.854 36.8218 7.02165 36.8221 71.064 GPRESSURE: 2123200 84.9519 158.368 57.4866 128.558 287.506 46.5768 16.797 -55.4062 66.3022 PRESSAVG: 2123200 8.51104 35.1114 42.3952 35.1114 48.8493 11.9657 42.3953 11.9656 -36.8681 GPRESSAVG: 2123200 8.73176 35.5254 41.8869 33.9009 48.7251 12.5696 42.8597 13.4547 -36.6388 TIMING: 2123200 CPU: 6160.43, 0.002907/step Wall: 6160.43, 0.002907/step, 2.32301 hours remaining, 206.457031 MB of memory in use. ENERGY: 2123200 755.5022 2132.1798 1946.9800 109.4645 -205967.9793 17862.6896 0.0000 0.0000 34299.7007 -148861.4625 299.5478 -183161.1632 -148769.2537 300.4463 111.8632 146.2533 555932.6957 6.8307 6.9394 PRESSURE: 2123400 -50.5175 -68.517 -33.4096 -68.5173 -3.43968 39.932 -33.409 39.9316 -179.075 GPRESSURE: 2123400 -3.74625 -17.1504 0.375577 -43.4397 -17.1777 86.839 -38.0449 18.8673 -113.692 PRESSAVG: 2123400 -28.3582 0.821976 -1.46522 0.821968 55.6957 22.013 -1.46523 22.013 -34.5279 GPRESSAVG: 2123400 -28.7839 1.09695 -0.446613 0.768925 55.9308 21.1823 -1.18308 21.2763 -34.5367 TIMING: 2123400 CPU: 6161.01, 0.00290757/step Wall: 6161.01, 0.00290757/step, 2.32331 hours remaining, 206.457031 MB of memory in use. ENERGY: 2123400 736.5919 2131.4952 1955.1168 121.1844 -205988.5459 17673.5978 0.0000 0.0000 34309.9697 -149060.5901 299.6375 -183370.5599 -148971.5838 299.6253 -77.6772 -44.8720 556455.8356 -2.3968 -2.4633 PRESSURE: 2123600 -86.9569 83.0929 -2.7047 83.093 -182.009 -125.107 -2.70498 -125.108 -0.603098 GPRESSURE: 2123600 -51.901 66.9442 48.1214 61.8015 -118.975 -73.3906 20.5593 -143.634 -5.07046 PRESSAVG: 2123600 41.0599 21.8482 -43.6234 21.8481 60.2452 -25.3402 -43.6234 -25.3402 -37.587 GPRESSAVG: 2123600 40.0917 22.3115 -42.2162 20.8764 60.0449 -27.4814 -43.6492 -23.8777 -36.8633 TIMING: 2123600 CPU: 6161.59, 0.00291628/step Wall: 6161.59, 0.00291628/step, 2.33011 hours remaining, 206.457031 MB of memory in use. ENERGY: 2123600 797.9556 2155.2355 1935.3516 117.0761 -205911.9291 17735.2762 0.0000 0.0000 34323.4842 -148847.5498 299.7555 -183171.0340 -148756.4177 300.4345 -89.8563 -58.6488 558160.6931 21.2393 21.0911 PRESSURE: 2123800 229.583 78.0272 -51.5876 78.0274 -94.3732 59.1656 -51.5863 59.1662 -318.088 GPRESSURE: 2123800 258.041 42.8637 -13.4279 102.046 -55.2883 46.6734 -66.7392 67.45 -279.546 PRESSAVG: 2123800 13.5772 24.4842 -27.8238 24.4841 42.3387 -10.2099 -27.8238 -10.2099 -49.5276 GPRESSAVG: 2123800 14.2807 24.6033 -28.6813 24.672 41.772 -8.1644 -27.9819 -10.0585 -50.0369 TIMING: 2123800 CPU: 6162.18, 0.00291235/step Wall: 6162.18, 0.00291235/step, 2.32681 hours remaining, 206.457031 MB of memory in use. ENERGY: 2123800 753.3132 2136.2137 1963.5382 136.9398 -206240.2289 17747.1133 0.0000 0.0000 34494.0151 -149009.0956 301.2448 -183503.1107 -148915.4502 300.4781 -60.9595 -25.5978 557401.6813 2.1294 2.0053 PRESSURE: 2124000 81.5911 -42.4099 -2.56885 -42.4088 133.963 49.1636 -2.56966 49.1624 147.635 GPRESSURE: 2124000 11.8332 -1.98268 11.5577 -144.503 184.642 29.7204 32.8616 48.8538 270.435 PRESSAVG: 2124000 -8.37261 2.33114 36.3791 2.33115 60.2896 -9.43611 36.3791 -9.43614 -32.6437 GPRESSAVG: 2124000 -8.37714 1.36314 34.5194 3.07651 60.5211 -9.56778 36.4961 -9.53613 -33.1009 TIMING: 2124000 CPU: 6162.75, 0.00289586/step Wall: 6162.75, 0.00289586/step, 2.31347 hours remaining, 206.457031 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: 2124000 740.6525 2078.5821 1964.5067 113.4552 -206389.1260 18042.1145 0.0000 0.0000 34288.3635 -149161.4514 299.4488 -183449.8149 -149061.5548 299.0346 121.0632 155.6369 556663.6214 6.4244 6.3477 PRESSURE: 2124200 -71.6676 -14.2666 -192.302 -14.2667 15.515 144.364 -192.302 144.363 -172.239 GPRESSURE: 2124200 -77.2455 85.7859 -148.51 -58.4836 77.1183 131.513 -172.132 125.735 -143.842 PRESSAVG: 2124200 -2.15235 -1.70452 38.2549 -1.70454 -21.9067 -2.31117 38.2548 -2.3112 -18.7769 GPRESSAVG: 2124200 -1.53972 2.02537 40.3125 -3.04339 -22.4061 -2.04418 37.8049 -2.93203 -19.0659 TIMING: 2124200 CPU: 6163.33, 0.00287994/step Wall: 6163.33, 0.00287994/step, 2.3006 hours remaining, 206.457031 MB of memory in use. ENERGY: 2124200 766.7461 2118.2905 1961.5320 121.8667 -206350.6729 17748.4392 0.0000 0.0000 34383.4009 -149250.3974 300.2788 -183633.7983 -149144.2203 299.8187 -76.1304 -47.9899 555342.6247 -14.2787 -14.3372 LDB: ============= START OF LOAD BALANCING ============== 6166.79 LDB: ============== END OF LOAD BALANCING =============== 6166.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6166.79 LDB: ============= START OF LOAD BALANCING ============== 6167.08 LDB: Largest compute 4820 load 0.028900 is 24.5% of average load 0.117773 LDB: Average compute 0.001726 is 1.5% of average load 0.117773 LDB: TIME 6167.09 LOAD: AVG 0.117773 MAX 0.177606 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 6167.09 LOAD: AVG 0.117773 MAX 0.177606 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 6167.09 LOAD: AVG 0.117773 MAX 0.177606 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: ============== END OF LOAD BALANCING =============== 6167.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6167.09 PRESSURE: 2124400 -265.447 -72.6563 -22.4851 -72.6555 -126.181 -52.0155 -22.486 -52.0144 9.01093 GPRESSURE: 2124400 -237.301 -68.2429 -5.90493 -107.888 -71.2442 32.1357 -14.6498 -70.093 22.2585 PRESSAVG: 2124400 -47.2359 -2.8513 -57.6237 -2.85121 -1.60733 34.9131 -57.6237 34.9131 21.1562 GPRESSAVG: 2124400 -48.2421 -5.8858 -60.6347 0.397283 -1.16067 35.18 -56.6451 35.2359 21.8571 TIMING: 2124400 CPU: 6163.92, 0.00293438/step Wall: 6163.92, 0.00293438/step, 2.34392 hours remaining, 205.617188 MB of memory in use. ENERGY: 2124400 722.5368 2106.5528 1995.7423 115.9269 -206119.5759 17592.5313 0.0000 0.0000 34249.5331 -149336.7527 299.1097 -183586.2858 -149235.1377 300.3008 -127.5392 -95.4287 556785.5216 -9.2290 -9.1819 PRESSURE: 2124600 -184.976 116.256 113.765 116.256 211.42 -7.6474 113.765 -7.64773 -184.042 GPRESSURE: 2124600 -111.982 144.813 137.643 130.378 183.394 -14.7124 161.214 23.4071 -143.908 PRESSAVG: 2124600 -49.5481 -54.0786 29.8691 -54.0785 13.7428 -10.104 29.869 -10.1039 2.10518 GPRESSAVG: 2124600 -49.628 -53.6811 31.3673 -53.6988 13.8683 -9.9865 29.1185 -11.0805 2.22158 TIMING: 2124600 CPU: 6164.5, 0.00289616/step Wall: 6164.5, 0.00289616/step, 2.31323 hours remaining, 205.820312 MB of memory in use. ENERGY: 2124600 765.0504 2148.7394 1990.7050 116.0410 -206450.0715 17897.0735 0.0000 0.0000 34092.4038 -149440.0585 297.7374 -183532.4623 -149341.8585 299.3667 -52.5325 -24.1655 557479.8553 -11.2334 -11.1794 PRESSURE: 2124800 -13.9508 -70.4119 -11.8616 -70.4121 136.937 -52.1482 -11.861 -52.1485 138.111 GPRESSURE: 2124800 38.2298 -6.99216 -29.2867 -73.9092 169.735 -45.5729 19.0361 -40.8969 161.224 PRESSAVG: 2124800 -30.5624 -18.7701 -18.7814 -18.7701 69.856 -44.4359 -18.7814 -44.4359 -40.7576 GPRESSAVG: 2124800 -32.0383 -19.2968 -19.6733 -20.5274 71.1554 -44.2216 -16.865 -45.0988 -40.5346 TIMING: 2124800 CPU: 6165.08, 0.0029009/step Wall: 6165.08, 0.0029009/step, 2.31685 hours remaining, 205.820312 MB of memory in use. ENERGY: 2124800 753.5801 2073.2221 1982.9848 121.9339 -206974.2031 18045.8671 0.0000 0.0000 34417.8632 -149578.7520 300.5798 -183996.6151 -149481.4900 298.2885 87.0324 123.0630 557292.2054 -0.4880 -0.4725 PRESSURE: 2125000 -314.926 46.6134 -28.7476 46.6117 -88.8469 28.0899 -28.7479 28.0895 -262.474 GPRESSURE: 2125000 -267.617 40.7744 -125.616 19.7281 -52.9346 -57.1243 9.16618 86.8707 -241.04 PRESSAVG: 2125000 -30.6377 -24.668 -25.4838 -24.668 -16.9391 -43.0561 -25.4838 -43.056 2.13104 GPRESSAVG: 2125000 -29.1912 -24.6931 -26.5945 -23.608 -18.3639 -41.4402 -27.2764 -44.13 2.07234 TIMING: 2125000 CPU: 6165.66, 0.00291116/step Wall: 6165.66, 0.00291116/step, 2.32489 hours remaining, 205.820312 MB of memory in use. ENERGY: 2125000 739.1702 2077.8827 1976.8330 105.0823 -206357.7649 17687.5449 0.0000 0.0000 34126.6300 -149644.6219 298.0363 -183771.2518 -149551.6286 298.1027 -222.0823 -187.1972 557286.6509 -15.1486 -15.1609 PRESSURE: 2125200 -197.364 46.9415 54.9076 46.9404 -151.925 119.83 54.9081 119.832 -65.7142 GPRESSURE: 2125200 -150.166 23.8879 7.02793 43.3486 -129.954 -38.8471 144.433 73.0819 -53.2895 PRESSAVG: 2125200 12.2498 -8.34347 33.5289 -8.34346 2.27751 -10.9254 33.5288 -10.9253 23.214 GPRESSAVG: 2125200 11.473 -7.5735 36.1442 -7.20978 2.61221 -13.8323 31.6581 -9.68757 23.3368 TIMING: 2125200 CPU: 6166.24, 0.00289405/step Wall: 6166.24, 0.00289405/step, 2.31106 hours remaining, 205.820312 MB of memory in use. ENERGY: 2125200 721.0968 2123.6121 1935.5511 113.1485 -206159.6885 17387.0587 0.0000 0.0000 34272.1340 -149607.0872 299.3071 -183879.2212 -149517.2617 298.4657 -138.3344 -111.1366 556608.0847 12.5804 12.4740 PRESSURE: 2125400 -114.709 -39.5383 169.019 -39.5373 -103.795 -36.4394 169.019 -36.4396 33.5853 GPRESSURE: 2125400 -87.3062 14.0253 185.986 -124.438 -100.857 -62.3851 156.418 -85.7688 94.8056 PRESSAVG: 2125400 48.9485 -56.8484 12.5571 -56.8484 10.3751 7.64495 12.5571 7.64491 -29.0198 GPRESSAVG: 2125400 49.2908 -56.745 12.9511 -58.931 10.2066 9.50682 14.1658 8.14521 -28.5572 TIMING: 2125400 CPU: 6166.82, 0.00290007/step Wall: 6166.82, 0.00290007/step, 2.3157 hours remaining, 205.820312 MB of memory in use. ENERGY: 2125400 719.8597 2090.0658 1982.9178 125.0532 -206486.0971 17779.9055 0.0000 0.0000 34090.3327 -149697.9625 297.7194 -183788.2951 -149599.8299 297.9713 -61.6397 -31.1192 554751.8180 10.1013 10.3134 PRESSURE: 2125600 -57.225 -35.6383 8.81392 -35.639 121.043 103.334 8.81215 103.335 292.428 GPRESSURE: 2125600 33.0525 -31.9304 4.69254 -92.7977 119.18 109.948 9.77701 93.7846 313.788 PRESSAVG: 2125600 -63.459 -24.8477 18.896 -24.8477 4.84574 -23.7829 18.896 -23.7828 29.2986 GPRESSAVG: 2125600 -62.5798 -24.797 18.467 -25.7438 4.23078 -26.0329 16.8112 -22.7829 28.9794 TIMING: 2125600 CPU: 6167.4, 0.00289657/step Wall: 6167.4, 0.00289657/step, 2.31275 hours remaining, 205.820312 MB of memory in use. ENERGY: 2125600 761.3048 2079.6010 1933.1243 110.3142 -206698.5907 18029.7701 0.0000 0.0000 34240.2213 -149544.2549 299.0284 -183784.4762 -149451.7756 297.8213 118.7485 155.3401 556081.1767 -9.7716 -9.7899 PRESSURE: 2125800 -30.7404 25.7538 83.1185 25.7545 92.4805 -68.0287 83.1182 -68.0271 146.327 GPRESSURE: 2125800 55.6117 43.4394 123.406 69.113 106.723 -4.34307 109.82 -71.4633 126.973 PRESSAVG: 2125800 -16.0554 34.6241 12.4206 34.6242 -2.48061 -37.5443 12.4206 -37.5443 0.0813205 GPRESSAVG: 2125800 -17.6255 33.0507 11.076 37.173 -1.08882 -36.4551 15.3635 -37.0086 -0.169558 TIMING: 2125800 CPU: 6167.98, 0.00289928/step Wall: 6167.98, 0.00289928/step, 2.31475 hours remaining, 205.820312 MB of memory in use. ENERGY: 2125800 758.1691 2147.8955 1983.9636 110.7213 -206168.3825 17735.6895 0.0000 0.0000 34024.4189 -149407.5245 297.1437 -183431.9435 -149313.0333 299.2402 69.3559 96.4358 556530.7361 -6.1516 -6.2946 PRESSURE: 2126000 -396.636 -9.56732 -201.184 -9.56731 -181.289 -24.959 -201.184 -24.9599 40.1837 GPRESSURE: 2126000 -336.636 -57.3521 -154.954 -43.4819 -150.886 53.8085 -258.691 -44.6196 50.7065 PRESSAVG: 2126000 -40.1484 -14.2476 -8.18041 -14.2476 45.8586 -22.8689 -8.18043 -22.8688 3.84801 GPRESSAVG: 2126000 -39.5289 -14.2296 -7.67745 -14.0724 45.4717 -21.4455 -8.01839 -24.6255 3.82251 TIMING: 2126000 CPU: 6168.56, 0.00290623/step Wall: 6168.56, 0.00290623/step, 2.32014 hours remaining, 205.820312 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: 2126000 722.2060 2077.3352 1967.5166 109.7842 -206319.1300 17675.0881 0.0000 0.0000 34249.4203 -149517.7796 299.1087 -183767.1999 -149416.7140 298.3587 -179.2471 -145.6054 558188.5922 3.1861 3.2551 PRESSURE: 2126200 -180.381 81.9585 35.1896 81.9577 214.544 43.1883 35.1893 43.1878 43.522 GPRESSURE: 2126200 -70.5058 96.1412 -4.33869 -0.408461 170.676 37.498 82.0995 83.3795 71.6036 PRESSAVG: 2126200 -25.3051 19.2505 -2.21403 19.2505 34.7398 22.4139 -2.21405 22.4139 -53.5116 GPRESSAVG: 2126200 -25.8448 20.0651 -2.26129 20.029 34.4063 21.2631 -3.10289 24.7179 -53.115 TIMING: 2126200 CPU: 6169.14, 0.00292475/step Wall: 6169.14, 0.00292475/step, 2.33476 hours remaining, 205.820312 MB of memory in use. ENERGY: 2126200 727.4238 2089.4871 1983.7173 111.5204 -206740.2426 18005.1258 0.0000 0.0000 34222.2531 -149600.7151 298.8714 -183822.9682 -149504.3047 298.1204 25.8949 57.2580 558217.1793 -14.6923 -14.8512 PRESSURE: 2126400 -27.8374 83.9404 -57.0699 83.9392 -184.468 75.7233 -57.0702 75.7217 -208.019 GPRESSURE: 2126400 0.376978 2.04898 -57.2573 130.606 -129.356 148.821 -84.2811 42.4841 -200.683 PRESSAVG: 2126400 73.893 9.16025 -67.3947 9.16018 -51.9626 53.283 -67.3948 53.2829 -20.945 GPRESSAVG: 2126400 73.4551 8.66843 -66.6826 8.51575 -51.1261 53.8533 -69.0353 52.0734 -21.1669 TIMING: 2126400 CPU: 6169.72, 0.00290005/step Wall: 6169.72, 0.00290004/step, 2.31488 hours remaining, 205.820312 MB of memory in use. ENERGY: 2126400 699.8298 2075.9999 1973.5954 96.0002 -206015.3984 17579.4558 0.0000 0.0000 34061.0267 -149529.4906 297.4634 -183590.5172 -149435.5585 297.7777 -140.1079 -109.8875 558761.4962 0.3285 0.3874 PRESSURE: 2126600 -85.3812 -63.5981 -4.3855 -63.5965 -108.562 -10.6193 -4.3844 -10.6187 218.005 GPRESSURE: 2126600 -37.2947 -109.298 6.02368 -6.54234 -57.0301 -79.369 38.7502 -17.9112 211.136 PRESSAVG: 2126600 57.1926 12.9151 -32.9715 12.9151 -34.9892 47.1714 -32.9715 47.1714 -20.5433 GPRESSAVG: 2126600 58.2572 13.7876 -33.4676 12.7252 -35.2081 47.6075 -30.6621 46.0468 -21.2751 TIMING: 2126600 CPU: 6170.31, 0.0029127/step Wall: 6170.31, 0.0029127/step, 2.32482 hours remaining, 205.820312 MB of memory in use. ENERGY: 2126600 754.1061 2034.9316 1950.4796 117.6182 -206331.4602 17925.3958 0.0000 0.0000 34116.5897 -149432.3392 297.9487 -183548.9288 -149334.3668 297.7948 8.0204 38.9372 556853.5734 0.5534 0.5913 PRESSURE: 2126800 -4.92402 101.092 -100.124 101.092 -94.5486 -8.47798 -100.123 -8.47826 -68.4451 GPRESSURE: 2126800 66.1475 26.7689 -10.5942 142.902 -75.7743 -49.5948 -133.811 60.913 -63.0293 PRESSAVG: 2126800 -17.4543 30.5121 -22.9429 30.5121 -80.2639 14.3377 -22.9429 14.3377 116.52 GPRESSAVG: 2126800 -16.6813 30.3383 -20.7618 29.8407 -81.8284 14.5916 -25.5061 14.1367 117.306 TIMING: 2126800 CPU: 6170.88, 0.00289337/step Wall: 6170.88, 0.00289337/step, 2.30923 hours remaining, 205.820312 MB of memory in use. ENERGY: 2126800 697.7733 2067.8489 1975.8426 116.0000 -206195.9968 17778.3026 0.0000 0.0000 34030.2467 -149529.9826 297.1946 -183560.2293 -149441.3874 298.3138 -55.9726 -24.2187 557823.2060 6.2673 6.2655 PRESSURE: 2127000 -342.858 93.582 82.8774 93.5818 -335.18 -75.9676 82.8779 -75.9679 -256.201 GPRESSURE: 2127000 -255.324 123.889 68.1131 73.8654 -329.14 -127.126 80.0587 -32.2791 -249.82 PRESSAVG: 2127000 36.882 -7.54123 -34.9982 -7.54127 -70.329 14.9595 -34.9981 14.9595 95.5477 GPRESSAVG: 2127000 37.2323 -7.28788 -39.5375 -9.19472 -69.7811 12.4108 -31.4537 18.6174 95.302 TIMING: 2127000 CPU: 6171.47, 0.00290367/step Wall: 6171.47, 0.00290367/step, 2.31729 hours remaining, 205.820312 MB of memory in use. ENERGY: 2127000 797.2864 2127.8629 1961.9664 103.3917 -206167.3223 17557.5012 0.0000 0.0000 34108.6237 -149510.6900 297.8791 -183619.3137 -149421.5575 297.9283 -311.4128 -278.0946 557266.4633 20.7002 20.9177 PRESSURE: 2127200 249.056 76.3882 39.1148 76.3891 -191.586 -129.92 39.1141 -129.919 -57.3282 GPRESSURE: 2127200 295.745 73.1955 44.0298 103.351 -199.994 -166.432 76.8395 -74.6703 -7.8685 PRESSAVG: 2127200 -42.1809 -4.36152 -10.2525 -4.3614 6.08909 28.9614 -10.2525 28.9614 -10.6907 GPRESSAVG: 2127200 -42.8198 -4.84932 -5.82012 -3.31491 6.73323 31.5334 -12.7122 25.3936 -10.5996 TIMING: 2127200 CPU: 6172.04, 0.00288734/step Wall: 6172.04, 0.00288734/step, 2.3041 hours remaining, 205.820312 MB of memory in use. ENERGY: 2127200 757.5210 2049.7877 1930.3401 121.3457 -206455.0452 17978.5511 0.0000 0.0000 34270.9815 -149346.5181 299.2970 -183617.4996 -149246.6140 298.2905 0.0474 29.2941 557035.4470 -15.5942 -15.5621 PRESSURE: 2127400 -41.2206 116.372 -28.6067 116.371 -11.4486 -24.3732 -28.6071 -24.3732 -148.678 GPRESSURE: 2127400 -24.2358 120.019 10.8509 173.88 44.0955 -61.6801 -35.2897 53.1123 -129.102 PRESSAVG: 2127400 -35.8364 4.22933 -44.3221 4.2293 23.1019 -26.7126 -44.3222 -26.7125 -20.4972 GPRESSAVG: 2127400 -34.1624 4.03814 -46.9373 6.15435 22.5768 -28.6633 -43.8337 -24.9991 -21.2889 TIMING: 2127400 CPU: 6172.63, 0.00291473/step Wall: 6172.63, 0.00291473/step, 2.32579 hours remaining, 205.820312 MB of memory in use. ENERGY: 2127400 741.8352 2092.3588 1962.9934 125.6892 -206229.1881 17715.8892 0.0000 0.0000 34129.5938 -149460.8284 298.0622 -183590.4222 -149361.0331 297.4605 -67.1156 -36.4142 556042.0342 -11.0772 -10.9582 PRESSURE: 2127600 30.8467 70.9909 40.3312 70.9908 -95.143 155.783 40.3305 155.783 -56.6684 GPRESSURE: 2127600 38.5744 114.52 57.4196 -0.472531 -43.255 234.475 26.9066 111.862 -32.867 PRESSAVG: 2127600 -10.7307 18.5909 -25.0589 18.591 -3.83448 -10.4074 -25.0589 -10.4074 69.405 GPRESSAVG: 2127600 -11.6675 20.0216 -23.5105 15.5725 -4.1318 -6.55867 -27.0741 -13.8508 71.0021 TIMING: 2127600 CPU: 6173.2, 0.00289743/step Wall: 6173.2, 0.00289743/step, 2.31183 hours remaining, 205.820312 MB of memory in use. ENERGY: 2127600 736.6062 2067.0278 1948.9488 102.5581 -206176.9940 17820.9850 0.0000 0.0000 34176.5552 -149324.3129 298.4724 -183500.8681 -149221.7368 299.5493 -40.3215 -12.5159 557374.2125 18.2799 18.4009 PRESSURE: 2127800 -231.785 1.70572 -112.699 1.70653 -155.66 -127.179 -112.699 -127.178 -245.833 GPRESSURE: 2127800 -181.491 -38.7072 -43.6624 18.404 -128.033 -118.909 -126.38 -134.574 -231.319 PRESSAVG: 2127800 -5.89653 24.9896 13.9725 24.9896 -2.6354 -21.3546 13.9725 -21.3546 -6.25829 GPRESSAVG: 2127800 -4.57529 25.0963 16.5212 26.3635 -2.84613 -22.2086 12.4662 -20.0339 -7.14452 TIMING: 2127800 CPU: 6173.78, 0.00287107/step Wall: 6173.78, 0.00287107/step, 2.29064 hours remaining, 205.820312 MB of memory in use. ENERGY: 2127800 761.2684 2049.0855 1966.5178 110.7246 -205799.2436 17324.0449 0.0000 0.0000 34169.2786 -149418.3239 298.4088 -183587.6025 -149317.2727 299.1120 -211.0924 -180.2811 557654.3712 -4.9301 -4.8553 PRESSURE: 2128000 271.166 88.5791 -32.9752 88.5789 54.6251 88.1984 -32.9771 88.1999 -17.7626 GPRESSURE: 2128000 312.42 38.0967 -122.348 190.781 107.284 45.6716 16.7216 174.444 -18.2033 PRESSAVG: 2128000 47.7523 -0.588192 -11.7038 -0.588237 -22.0204 15.3586 -11.7039 15.3587 -39.4972 GPRESSAVG: 2128000 46.2233 0.291514 -13.537 -1.6604 -21.7018 14.9162 -8.99172 15.3235 -38.4644 TIMING: 2128000 CPU: 6174.36, 0.00288773/step Wall: 6174.36, 0.00288773/step, 2.30377 hours remaining, 205.820312 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: 2128000 763.6638 2020.4370 1966.3149 118.0388 -206538.7842 17937.9563 0.0000 0.0000 34465.2214 -149267.1521 300.9934 -183732.3735 -149171.0577 298.7461 102.6762 133.8335 555486.8693 -4.5884 -4.6476 PRESSURE: 2128200 -416.875 33.2071 64.3754 33.2078 122.111 -146.609 64.3737 -146.61 -230.544 GPRESSURE: 2128200 -353.149 73.3581 127.007 -62.2487 124.469 -147.402 29.0482 -102.827 -187.072 PRESSAVG: 2128200 95.4523 -1.48877 70.3851 -1.48877 -14.5573 -7.84352 70.3851 -7.84349 -66.3383 GPRESSAVG: 2128200 96.7969 -3.7719 69.8404 0.778509 -13.9272 -7.84604 69.6601 -6.84543 -67.9181 TIMING: 2128200 CPU: 6174.94, 0.00290421/step Wall: 6174.94, 0.00290421/step, 2.31675 hours remaining, 205.820312 MB of memory in use. ENERGY: 2128200 758.7931 2103.6991 1954.9909 108.3538 -206058.8798 17635.8671 0.0000 0.0000 34073.9863 -149423.1894 297.5766 -183497.1757 -149323.4588 298.6651 -175.1025 -138.5839 559005.7081 4.8522 4.9839 LDB: ============= START OF LOAD BALANCING ============== 6178.4 LDB: ============== END OF LOAD BALANCING =============== 6178.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6178.4 LDB: ============= START OF LOAD BALANCING ============== 6178.69 LDB: Largest compute 4821 load 0.031026 is 26.4% of average load 0.117728 LDB: Average compute 0.001724 is 1.5% of average load 0.117728 LDB: TIME 6178.7 LOAD: AVG 0.117728 MAX 0.175313 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 6178.7 LOAD: AVG 0.117728 MAX 0.175313 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: TIME 6178.7 LOAD: AVG 0.117728 MAX 0.175313 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6178.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6178.7 PRESSURE: 2128400 116.828 39.1617 -127.123 39.1608 50.4364 21.7941 -127.123 21.7942 -40.513 GPRESSURE: 2128400 152.079 43.332 -78.9417 48.7877 63.7498 -29.3916 -80.6317 -50.3698 -12.1978 PRESSAVG: 2128400 -17.7347 52.2358 38.2166 52.2359 -11.3456 -11.7687 38.2166 -11.7689 17.2669 GPRESSAVG: 2128400 -18.6058 52.7863 37.6732 51.0045 -11.1794 -11.828 38.0238 -13.1833 17.8326 TIMING: 2128400 CPU: 6175.53, 0.0029499/step Wall: 6175.53, 0.0029499/step, 2.35304 hours remaining, 205.632812 MB of memory in use. ENERGY: 2128400 722.1995 2118.3401 1964.7061 121.9343 -206655.9944 18018.4395 0.0000 0.0000 34250.3472 -149460.0276 299.1168 -183710.3748 -149365.4401 299.0952 42.2505 67.8769 556989.3714 -3.9378 -3.9842 PRESSURE: 2128600 -146.933 -146.152 -80.7235 -146.152 71.0347 46.6987 -80.7243 46.7006 -26.547 GPRESSURE: 2128600 -143.214 -119.929 -31.2838 -106.254 174.375 -3.68533 -25.0413 55.6775 -46.2251 PRESSAVG: 2128600 -10.8466 17.4461 -18.7605 17.4461 -5.2857 55.3783 -18.7606 55.3784 38.807 GPRESSAVG: 2128600 -12.0773 16.7613 -19.794 16.4878 -3.57326 55.2686 -17.8951 55.3204 37.9981 TIMING: 2128600 CPU: 6176.11, 0.00290232/step Wall: 6176.11, 0.00290232/step, 2.31492 hours remaining, 205.632812 MB of memory in use. ENERGY: 2128600 739.3671 2107.5383 1965.4793 116.4435 -206197.8348 17799.8268 0.0000 0.0000 34102.7979 -149366.3820 297.8282 -183469.1799 -149270.2490 298.1936 -34.1485 -5.0213 558358.6665 7.5582 7.4492 PRESSURE: 2128800 -218.368 80.8699 -101.561 80.8699 196.137 -70.9471 -101.561 -70.9486 -186.698 GPRESSURE: 2128800 -209.501 80.7929 -133.145 94.2395 256.6 -59.0772 -9.26394 6.43087 -174.049 PRESSAVG: 2128800 -56.664 -38.4917 -7.31299 -38.4918 54.0588 -3.05117 -7.31301 -3.05127 0.406688 GPRESSAVG: 2128800 -56.2534 -36.354 -6.81182 -39.3389 54.2696 -3.67987 -7.3084 -1.87762 0.197817 TIMING: 2128800 CPU: 6176.68, 0.0028804/step Wall: 6176.68, 0.0028804/step, 2.29728 hours remaining, 205.835938 MB of memory in use. ENERGY: 2128800 783.4384 2045.5757 1963.0040 109.0638 -206274.2370 17827.4491 0.0000 0.0000 34285.3244 -149260.3817 299.4223 -183545.7061 -149166.2577 298.7086 -69.6430 -42.3168 557916.0862 -0.7328 -0.5953 PRESSURE: 2129000 -9.79305 20.5526 -13.4548 20.5528 -128.183 4.26685 -13.4548 4.26657 4.98094 GPRESSURE: 2129000 21.7452 23.3607 37.9877 -39.8643 -92.15 -24.3159 -123.994 -47.9336 27.1805 PRESSAVG: 2129000 6.86409 33.251 -3.25588 33.251 57.4244 15.3701 -3.25587 15.3701 -50.6966 GPRESSAVG: 2129000 6.75365 32.3597 -3.44349 34.0608 56.7387 15.3757 -3.50439 15.2716 -49.5111 TIMING: 2129000 CPU: 6177.26, 0.00288801/step Wall: 6177.26, 0.00288801/step, 2.30319 hours remaining, 205.835938 MB of memory in use. ENERGY: 2129000 778.4460 2098.0892 1928.7884 128.6132 -205791.8804 17584.7576 0.0000 0.0000 34242.3349 -149030.8511 299.0468 -183273.1861 -148932.2179 298.6348 -44.3318 -14.4081 557528.5673 4.5306 4.6604 PRESSURE: 2129200 127.52 189.439 -92.2249 189.439 50.1166 43.5931 -92.2257 43.5923 -54.77 GPRESSURE: 2129200 160.935 124.713 -58.5862 242.439 103.61 91.1546 -161.027 66.5838 -41.2014 PRESSAVG: 2129200 22.3671 29.9451 -42.1819 29.9451 -20.486 70.8198 -42.182 70.8197 0.230122 GPRESSAVG: 2129200 22.9961 28.4305 -41.9884 33.1298 -19.9744 70.3393 -42.0419 71.5331 -0.833544 TIMING: 2129200 CPU: 6177.84, 0.00289778/step Wall: 6177.84, 0.00289778/step, 2.31082 hours remaining, 205.835938 MB of memory in use. ENERGY: 2129200 745.4288 2113.9770 1958.3746 123.6370 -206366.7362 18078.9202 0.0000 0.0000 34369.6080 -148976.7906 300.1583 -183346.3986 -148875.2745 299.9340 40.9554 74.4478 559265.6160 0.7038 0.7294 PRESSURE: 2129400 -53.0992 90.3993 42.7335 90.3993 -3.98662 -88.5264 42.7347 -88.5259 -78.1247 GPRESSURE: 2129400 4.25886 23.9477 -0.267864 82.3891 9.39038 14.9182 83.6296 -96.8968 -46.7231 PRESSAVG: 2129400 -27.9971 25.4353 9.04929 25.4353 28.1952 20.0243 9.04931 20.0242 13.2102 GPRESSAVG: 2129400 -28.6272 26.6864 9.4317 22.1998 27.4481 22.4771 7.81819 18.5247 14.5602 TIMING: 2129400 CPU: 6178.42, 0.00288692/step Wall: 6178.42, 0.00288692/step, 2.302 hours remaining, 205.835938 MB of memory in use. ENERGY: 2129400 740.1665 2112.5886 1945.6898 120.8944 -206100.9693 17909.2546 0.0000 0.0000 34305.5274 -148966.8480 299.5987 -183272.3754 -148866.7632 299.3997 -45.0702 -11.0246 559978.0062 4.4694 4.4603 PRESSURE: 2129600 169.994 14.8456 -87.2201 14.8472 -213.014 -30.0844 -87.2205 -30.0835 -288.818 GPRESSURE: 2129600 155.831 109.941 -28.5735 67.4723 -168.728 -74.4931 -149.213 31.8476 -216.171 PRESSAVG: 2129600 52.0837 -23.8 -44.6738 -23.8001 -43.5631 60.0124 -44.6737 60.0124 -29.1391 GPRESSAVG: 2129600 53.1477 -21.4123 -44.8663 -23.4205 -44.6163 57.7953 -42.8791 62.2297 -29.4867 TIMING: 2129600 CPU: 6178.99, 0.00287878/step Wall: 6178.99, 0.00287878/step, 2.29535 hours remaining, 205.835938 MB of memory in use. ENERGY: 2129600 761.0906 2086.2581 1933.5853 122.0705 -205889.7143 17713.3509 0.0000 0.0000 34337.4045 -148935.9544 299.8771 -183273.3590 -148837.6629 300.1084 -110.6128 -76.3561 558240.2143 -6.8728 -6.9851 PRESSURE: 2129800 141.426 -163.015 183.793 -163.014 -73.8311 198.096 183.792 198.096 -53.2766 GPRESSURE: 2129800 136.263 -94.602 72.1454 -201.886 -67.4573 217.589 240.89 181.196 28.2013 PRESSAVG: 2129800 97.5814 -18.0249 -1.6029 -18.025 -57.804 26.0277 -1.603 26.0276 -21.0639 GPRESSAVG: 2129800 96.4178 -18.8178 -0.655439 -17.1351 -57.1164 27.1797 -1.92716 24.2761 -20.3915 TIMING: 2129800 CPU: 6179.57, 0.00287613/step Wall: 6179.57, 0.00287613/step, 2.29308 hours remaining, 205.835938 MB of memory in use. ENERGY: 2129800 767.1277 2073.8743 1985.4752 112.0665 -205963.9203 17788.7771 0.0000 0.0000 34260.2471 -148976.3525 299.2033 -183236.5996 -148872.2089 299.8514 4.7728 32.3358 557480.3473 6.2378 6.3033 PRESSURE: 2130000 177.531 -83.2706 25.0606 -83.2703 -35.8924 -31.1212 25.061 -31.121 183.736 GPRESSURE: 2130000 208.981 -43.4461 18.0724 -109.835 20.3497 -101.496 69.1254 19.1148 201.59 PRESSAVG: 2130000 56.4406 25.4393 28.6723 25.4393 -38.8914 24.0377 28.6722 24.0377 59.2069 GPRESSAVG: 2130000 56.5287 24.5207 28.5418 25.4082 -38.1866 23.3662 29.3683 27.0029 58.7046 TIMING: 2130000 CPU: 6180.15, 0.00287901/step Wall: 6180.15, 0.00287901/step, 2.29521 hours remaining, 205.835938 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: 2130000 732.2248 2131.6979 2006.6106 109.5935 -206032.9023 17804.6085 0.0000 0.0000 34250.9111 -148997.2560 299.1217 -183248.1671 -148911.5912 299.4583 108.4583 143.6404 555668.6419 25.5854 25.6822 PRESSURE: 2130200 -82.5095 68.851 26.8982 68.8496 -110.991 83.4983 26.898 83.4982 121.4 GPRESSURE: 2130200 -38.7186 30.3081 -51.754 120.842 -53.2332 84.2742 100.014 41.1967 121.757 PRESSAVG: 2130200 18.0521 34.646 23.7078 34.6459 -25.2724 25.6151 23.7077 25.6151 1.42446 GPRESSAVG: 2130200 18.4461 35.6535 21.8826 34.2303 -25.0387 26.67 23.6394 22.3791 0.897716 TIMING: 2130200 CPU: 6180.72, 0.00289572/step Wall: 6180.72, 0.00289572/step, 2.30837 hours remaining, 205.835938 MB of memory in use. ENERGY: 2130200 707.3167 2128.3203 1958.1621 118.7099 -205872.5770 17498.0607 0.0000 0.0000 34403.9100 -149058.0974 300.4579 -183462.0073 -148961.3433 299.4058 -24.0336 9.9351 556653.3677 -1.9319 -1.8983 PRESSURE: 2130400 -278.023 -120.207 -32.2224 -120.208 6.00101 53.5224 -32.2221 53.522 112.324 GPRESSURE: 2130400 -249.954 -141.245 -104.318 -135.728 66.6385 71.1773 7.07795 49.9374 133.09 PRESSAVG: 2130400 32.7282 37.169 16.6344 37.169 -11.4678 43.7134 16.6343 43.7134 -27.1984 GPRESSAVG: 2130400 31.1041 36.7298 16.6792 37.269 -11.8508 41.5203 15.9094 44.0844 -25.3865 TIMING: 2130400 CPU: 6181.3, 0.00287479/step Wall: 6181.3, 0.00287479/step, 2.29153 hours remaining, 205.835938 MB of memory in use. ENERGY: 2130400 772.5086 2056.6602 1959.6803 120.2348 -206006.8827 17711.3264 0.0000 0.0000 34219.1327 -149167.3397 298.8442 -183386.4724 -149066.7194 299.3739 -53.2324 -16.7418 556242.3328 -1.9793 -2.0444 PRESSURE: 2130600 -263.901 -9.45375 -22.394 -9.45423 -18.649 9.72735 -22.3943 9.72724 -53.3798 GPRESSURE: 2130600 -166.334 -108.272 7.8753 50.8853 -21.969 -44.6771 -40.0066 -61.3183 -44.3833 PRESSAVG: 2130600 2.85749 -11.5772 2.13446 -11.5772 58.0483 12.6531 2.13449 12.6531 -16.4567 GPRESSAVG: 2130600 4.06449 -12.2563 2.89649 -12.2521 57.375 13.74 2.64414 11.1848 -16.8856 TIMING: 2130600 CPU: 6181.88, 0.00288186/step Wall: 6181.88, 0.00288186/step, 2.297 hours remaining, 206.035156 MB of memory in use. ENERGY: 2130600 763.1809 2117.1284 1992.2143 104.6506 -206151.5231 17595.0927 0.0000 0.0000 34437.5943 -149141.6618 300.7521 -183579.2561 -149047.9767 299.6950 -111.9766 -77.5622 556045.9401 14.8164 14.8513 PRESSURE: 2130800 22.056 80.2522 -44.478 80.2529 60.4978 -53.2617 -44.4785 -53.2615 -17.651 GPRESSURE: 2130800 5.54862 88.9812 -47.6458 75.0092 114.856 36.0282 -59.8102 -103.322 47.4102 PRESSAVG: 2130800 39.6879 20.7762 -19.7918 20.7761 -35.3124 -22.2678 -19.7917 -22.2679 -50.7208 GPRESSAVG: 2130800 39.5184 21.2044 -20.1897 20.8716 -34.6188 -22.1343 -19.4364 -22.0297 -51.392 TIMING: 2130800 CPU: 6182.45, 0.00289485/step Wall: 6182.45, 0.00289485/step, 2.3072 hours remaining, 206.035156 MB of memory in use. ENERGY: 2130800 718.2522 2129.8310 1963.4181 115.1041 -206080.7708 17801.4956 0.0000 0.0000 34073.2999 -149279.3699 297.5706 -183352.6699 -149181.5857 299.2833 21.6343 55.9383 557722.7924 -15.4484 -15.4975 PRESSURE: 2131000 -180.081 -218.394 -14.5573 -218.393 -57.2487 -90.0798 -14.5571 -90.0815 -60.7451 GPRESSURE: 2131000 -188.018 -333.743 -15.309 -187.487 31.9117 -146.597 -0.160102 -110.779 -44.7765 PRESSAVG: 2131000 13.6048 -18.7503 -19.1253 -18.7504 57.7151 -10.4567 -19.1254 -10.4568 -79.682 GPRESSAVG: 2131000 13.6637 -18.2051 -18.785 -17.0757 57.0924 -10.6309 -20.2117 -11.8202 -79.8132 TIMING: 2131000 CPU: 6183.04, 0.00292269/step Wall: 6183.04, 0.00292269/step, 2.32922 hours remaining, 206.035156 MB of memory in use. ENERGY: 2131000 752.6778 2114.0015 1933.7693 120.7723 -205900.3997 17622.6094 0.0000 0.0000 34244.6984 -149111.8710 299.0675 -183356.5694 -149016.0332 299.4191 -99.3584 -66.9610 557896.0342 -2.7874 -3.0190 PRESSURE: 2131200 -126.529 56.6106 -74.0425 56.6101 -133.254 1.42836 -74.0427 1.42973 230.643 GPRESSURE: 2131200 -69.7876 49.2579 -92.8725 -56.7265 -92.6323 19.3192 -75.4478 -1.03565 230.246 PRESSAVG: 2131200 -7.1213 -2.99989 -44.1407 -2.99996 13.7664 -15.5193 -44.1406 -15.5192 -13.6457 GPRESSAVG: 2131200 -7.34264 -3.52848 -45.203 -4.19424 13.2211 -16.1674 -42.0682 -13.7074 -12.5642 TIMING: 2131200 CPU: 6183.62, 0.00288763/step Wall: 6183.62, 0.00288763/step, 2.30112 hours remaining, 206.035156 MB of memory in use. ENERGY: 2131200 769.8868 2068.8722 1940.5078 113.2000 -205999.9578 17764.4188 0.0000 0.0000 34322.8067 -149020.2656 299.7496 -183343.0723 -148930.0168 300.2895 -9.7131 22.6088 557236.2859 -2.3335 -2.2286 PRESSURE: 2131400 -4.29621 145.588 -20.7772 145.587 142.789 15.4873 -20.7769 15.4869 -109.684 GPRESSURE: 2131400 24.7667 74.9764 -52.9827 103.092 176.493 28.0421 86.182 134.877 -72.9418 PRESSAVG: 2131400 -3.04003 11.1135 -21.1316 11.1134 -60.4674 -19.659 -21.1315 -19.659 17.0947 GPRESSAVG: 2131400 -2.55627 9.45706 -21.5894 11.9587 -60.4793 -21.9784 -22.0536 -18.5643 16.7483 TIMING: 2131400 CPU: 6184.2, 0.00289436/step Wall: 6184.2, 0.00289436/step, 2.30632 hours remaining, 206.035156 MB of memory in use. ENERGY: 2131400 778.1923 2084.9062 1951.5801 111.6596 -206429.3958 18072.9716 0.0000 0.0000 34383.9907 -149046.0955 300.2839 -183430.0862 -148947.5279 300.1850 9.6029 42.7726 559083.6773 -15.4709 -15.4291 PRESSURE: 2131600 -317.254 -155.749 45.8323 -155.748 -129.583 42.3767 45.8322 42.3748 -159.399 GPRESSURE: 2131600 -315.297 -103.959 39.1125 -153.958 -69.9959 100.541 19.6359 92.8359 -127.372 PRESSAVG: 2131600 29.0519 10.012 43.7652 10.0119 -19.9342 -7.90167 43.7652 -7.90186 38.1056 GPRESSAVG: 2131600 28.0395 13.3124 44.5523 7.91968 -19.5053 -6.5512 43.6759 -8.50242 38.7055 TIMING: 2131600 CPU: 6184.78, 0.00292079/step Wall: 6184.78, 0.00292079/step, 2.32722 hours remaining, 206.035156 MB of memory in use. ENERGY: 2131600 746.9765 2091.6955 1977.9369 114.8150 -205887.0318 17561.5246 0.0000 0.0000 34307.9080 -149086.1753 299.6195 -183394.0833 -148979.0383 299.6304 -202.0786 -170.8883 559358.5130 15.7411 15.7466 PRESSURE: 2131800 -85.1308 -47.2928 -91.8697 -47.2919 -105.104 -19.1303 -91.8696 -19.1321 -242.597 GPRESSURE: 2131800 -39.0934 -61.3078 -72.8121 -32.6158 -66.443 8.18268 10.9723 -87.6951 -239.188 PRESSAVG: 2131800 -30.8621 -15.4581 8.14671 -15.4582 49.4754 5.00013 8.1467 5.00004 9.43633 GPRESSAVG: 2131800 -29.4684 -18.6859 7.90944 -12.7686 48.875 4.28077 10.0144 3.88671 9.58411 TIMING: 2131800 CPU: 6185.36, 0.00290446/step Wall: 6185.36, 0.00290446/step, 2.31405 hours remaining, 206.035156 MB of memory in use. ENERGY: 2131800 765.4979 2082.5635 1962.2090 116.9872 -205850.4323 17537.1946 0.0000 0.0000 34246.5041 -149139.4760 299.0832 -183385.9802 -149045.9621 299.8753 -144.2772 -114.9082 557494.1005 9.3499 9.6636 PRESSURE: 2132000 1.91757 27.0484 -13.6315 27.0475 65.7199 -122.295 -13.631 -122.294 77.6558 GPRESSURE: 2132000 52.3754 -23.5336 -26.4107 109.41 81.0684 -159.466 -22.5733 -42.3995 101.077 PRESSAVG: 2132000 -33.4405 -12.6323 -43.0959 -12.6323 39.0178 5.21785 -43.0958 5.21782 -18.3322 GPRESSAVG: 2132000 -34.363 -12.5694 -42.4322 -12.7364 40.5989 5.91567 -45.0913 6.86631 -19.4672 TIMING: 2132000 CPU: 6185.94, 0.00289742/step Wall: 6185.94, 0.00289742/step, 2.30828 hours remaining, 206.035156 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: 2132000 744.2883 2129.8283 1970.8625 108.6605 -206303.1310 17696.4146 0.0000 0.0000 34381.5200 -149271.5567 300.2624 -183653.0767 -149174.5775 299.4330 48.4311 78.1737 556088.4623 -4.2517 -4.4104 PRESSURE: 2132200 131.626 -161.805 -110.14 -161.805 44.1105 -84.7346 -110.14 -84.7353 84.504 GPRESSURE: 2132200 144.392 -217.578 -5.65308 -93.0121 32.3733 -57.8871 -181.484 -122.228 178.651 PRESSAVG: 2132200 11.242 -56.3813 -30.8062 -56.3814 44.2045 -29.0741 -30.8062 -29.0742 -61.2749 GPRESSAVG: 2132200 12.0528 -56.9158 -33.8897 -56.2536 42.0304 -28.9614 -28.878 -28.5532 -60.3247 TIMING: 2132200 CPU: 6186.51, 0.00287305/step Wall: 6186.51, 0.00287305/step, 2.2887 hours remaining, 206.035156 MB of memory in use. ENERGY: 2132200 750.4599 2150.7244 1981.2904 110.9859 -206113.1369 17847.4130 0.0000 0.0000 34195.1330 -149077.1304 298.6346 -183272.2634 -148972.9654 299.1062 86.7470 118.4721 557025.7361 -1.9428 -2.0805 LDB: ============= START OF LOAD BALANCING ============== 6189.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6189.98 LDB: =============== DONE WITH MIGRATION ================ 6189.98 LDB: ============= START OF LOAD BALANCING ============== 6190.27 LDB: Largest compute 4820 load 0.029862 is 25.4% of average load 0.117739 LDB: Average compute 0.001715 is 1.5% of average load 0.117739 LDB: TIME 6190.27 LOAD: AVG 0.117739 MAX 0.179238 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.125 MB LDB: TIME 6190.27 LOAD: AVG 0.117739 MAX 0.179238 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 6190.27 LOAD: AVG 0.117739 MAX 0.179238 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: ============== END OF LOAD BALANCING =============== 6190.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6190.28 PRESSURE: 2132400 7.36106 37.6451 9.62976 37.6462 119.631 -40.4581 9.62924 -40.4587 -218.939 GPRESSURE: 2132400 37.5802 -8.83493 39.9937 5.7747 99.5056 -9.01911 55.7075 -11.2753 -124.366 PRESSAVG: 2132400 72.9359 -7.94762 -25.7189 -7.94761 -46.315 -24.5348 -25.7187 -24.5348 -81.3609 GPRESSAVG: 2132400 72.0072 -5.16717 -23.6447 -6.57409 -44.4208 -26.2563 -27.882 -24.8819 -82.2156 TIMING: 2132400 CPU: 6187.1, 0.00293428/step Wall: 6187.1, 0.00293428/step, 2.33731 hours remaining, 207.156250 MB of memory in use. ENERGY: 2132400 778.5662 2067.2032 1982.2679 114.7995 -206327.0052 18041.6430 0.0000 0.0000 34264.1979 -149078.3276 299.2378 -183342.5255 -148977.3821 299.5624 -30.6490 4.2399 558264.6899 -18.2466 -18.2097 PRESSURE: 2132600 -163.949 -5.0488 -117.828 -5.04908 -32.7069 87.1412 -117.828 87.1413 59.8724 GPRESSURE: 2132600 -131.24 49.4115 -129.325 96.4023 -22.0731 53.0083 -212.613 97.2498 107.785 PRESSAVG: 2132600 -29.0521 26.2963 19.2392 26.2963 68.7567 10.6793 19.2391 10.6794 -64.0936 GPRESSAVG: 2132600 -29.4576 23.8374 19.0789 25.1561 68.2668 11.3087 20.0799 10.0139 -62.3416 TIMING: 2132600 CPU: 6187.68, 0.00290993/step Wall: 6187.68, 0.00290993/step, 2.31776 hours remaining, 207.484375 MB of memory in use. ENERGY: 2132600 775.3425 2187.6609 1949.1436 123.1386 -206200.2521 17830.0924 0.0000 0.0000 34375.4888 -148959.3854 300.2097 -183334.8743 -148864.6580 299.9300 -45.5944 -15.1761 557305.1986 -8.1297 -7.8441 PRESSURE: 2132800 -132.142 -34.5344 -27.7993 -34.5345 67.548 39.202 -27.7993 39.2019 -9.90938 GPRESSURE: 2132800 -133.7 -45.223 -35.7881 34.6992 99.2473 -52.1085 -64.8399 82.3752 62.3616 PRESSAVG: 2132800 45.9949 74.677 -29.9237 74.6769 -27.2386 18.6471 -29.9238 18.6471 -7.06524 GPRESSAVG: 2132800 45.9757 75.9638 -30.0049 72.9293 -27.3338 19.2187 -28.1266 19.6611 -7.15242 TIMING: 2132800 CPU: 6188.26, 0.00288943/step Wall: 6188.26, 0.00288943/step, 2.30127 hours remaining, 207.484375 MB of memory in use. ENERGY: 2132800 719.4805 2122.5813 1955.9701 103.5669 -206175.6627 17763.5458 0.0000 0.0000 34569.8298 -148940.6883 301.9069 -183510.5181 -148838.1830 300.5835 -24.8346 9.3029 558316.4763 3.8970 3.8298 PRESSURE: 2133000 2.9201 -47.0761 -63.7358 -47.0778 -7.54625 109.371 -63.7349 109.37 243.022 GPRESSURE: 2133000 36.8997 -23.0367 -88.6496 -2.09727 41 79.2993 -40.8902 96.8659 274.547 PRESSAVG: 2133000 47.3528 29.6863 -48.8047 29.6863 25.4382 21.1264 -48.8047 21.1264 -55.2454 GPRESSAVG: 2133000 48.7426 30.9916 -49.6405 29.2722 24.9887 21.8137 -49.5108 20.3908 -55.481 TIMING: 2133000 CPU: 6188.84, 0.00289334/step Wall: 6188.84, 0.00289334/step, 2.30422 hours remaining, 207.484375 MB of memory in use. ENERGY: 2133000 721.3595 2081.1532 1979.9793 125.2878 -205638.0310 17686.7873 0.0000 0.0000 34121.6129 -148921.8510 297.9925 -183043.4639 -148828.2666 300.3553 79.4653 117.4822 556791.2043 5.8485 6.0834 PRESSURE: 2133200 -81.0567 -31.475 -76.3231 -31.4753 -123.132 -5.81984 -76.3234 -5.81959 -70.8779 GPRESSURE: 2133200 -19.8 42.0882 -26.6947 -72.3461 -48.8043 -48.7983 -131.821 58.6773 -112.418 PRESSAVG: 2133200 49.6142 -39.4409 -10.3805 -39.4409 -14.2533 69.3311 -10.3806 69.331 -28.0983 GPRESSAVG: 2133200 50.2167 -41.0282 -7.67117 -39.1372 -14.6112 69.1789 -12.4888 69.761 -28.0036 TIMING: 2133200 CPU: 6189.42, 0.00290401/step Wall: 6189.42, 0.00290401/step, 2.31256 hours remaining, 207.484375 MB of memory in use. ENERGY: 2133200 765.2516 2050.8197 1973.4948 114.6029 -205869.2483 17567.8209 0.0000 0.0000 34347.0624 -149050.1960 299.9614 -183397.2584 -148954.6668 299.8599 -91.6889 -60.3408 556852.6255 2.4209 2.5340 PRESSURE: 2133400 -210.015 -39.0986 -8.04079 -39.0991 -6.37549 21.015 -8.04121 21.0147 -125.106 GPRESSURE: 2133400 -124.883 -12.1569 -66.2991 -102.773 -3.0008 85.088 9.50675 -34.2156 -123.49 PRESSAVG: 2133400 -26.2114 -4.75228 69.218 -4.75228 51.0471 8.87604 69.2179 8.87607 -33.6595 GPRESSAVG: 2133400 -26.1642 -4.89731 68.006 -3.69075 51.3742 7.89093 69.698 7.98189 -33.9752 TIMING: 2133400 CPU: 6190, 0.00289239/step Wall: 6190, 0.00289239/step, 2.30314 hours remaining, 207.484375 MB of memory in use. ENERGY: 2133400 726.5348 2136.8325 1981.2775 115.4288 -205791.1134 17513.7744 0.0000 0.0000 34244.0648 -149073.2007 299.0619 -183317.2655 -148969.0383 299.8151 -113.8323 -83.7910 557893.4401 -2.9412 -2.9217 PRESSURE: 2133600 95.8294 128.93 -13.1649 128.932 -24.3766 104.081 -13.1655 104.081 -54.7679 GPRESSURE: 2133600 106.03 83.0578 9.341 183.044 -22.1286 134.412 -1.2756 53.7123 25.0497 PRESSAVG: 2133600 11.991 30.1174 12.0091 30.1174 56.6915 -30.6259 12.0092 -30.6259 -38.1191 GPRESSAVG: 2133600 12.269 29.5753 13.5566 30.8868 56.4663 -29.2513 12.506 -30.1203 -38.3547 TIMING: 2133600 CPU: 6190.58, 0.00290199/step Wall: 6190.58, 0.00290199/step, 2.31063 hours remaining, 207.484375 MB of memory in use. ENERGY: 2133600 760.0113 2132.1414 1975.1019 107.0921 -205941.5515 17718.8559 0.0000 0.0000 34354.6722 -148893.6768 300.0279 -183248.3490 -148795.8863 299.5264 5.5616 36.3171 556770.4704 10.1878 10.1269 PRESSURE: 2133800 -27.039 -277.101 199.244 -277.102 -181.682 144.722 199.243 144.723 -35.0628 GPRESSURE: 2133800 -33.4543 -260.99 230.261 -197.929 -90.9599 181.604 169.687 93.1827 -18.2931 PRESSAVG: 2133800 -77.5332 -0.479773 0.33695 -0.479752 71.362 -3.90785 0.336913 -3.90777 34.5832 GPRESSAVG: 2133800 -79.5637 0.610226 -2.88687 -1.62908 72.7886 -4.59508 2.59999 -2.88137 35.2324 TIMING: 2133800 CPU: 6191.16, 0.00288685/step Wall: 6191.16, 0.00288685/step, 2.29841 hours remaining, 207.613281 MB of memory in use. ENERGY: 2133800 756.3484 2085.8916 1964.0489 112.4390 -205871.3178 17628.9736 0.0000 0.0000 34427.9347 -148895.6815 300.6677 -183323.6162 -148797.0622 300.0503 -81.2613 -47.5691 559063.1216 9.4707 9.4858 PRESSURE: 2134000 -82.6889 -20.3007 -84.0495 -20.2996 -223.642 68.544 -84.0497 68.5438 -172.451 GPRESSURE: 2134000 -17.8006 -89.0347 -84.2564 -26.5071 -188.151 115.845 -109.811 74.2512 -176.318 PRESSAVG: 2134000 -44.4009 -62.4493 -36.1402 -62.4494 11.6441 36.1033 -36.1401 36.1034 25.0198 GPRESSAVG: 2134000 -43.6374 -61.5245 -34.9108 -64.5512 10.4184 35.2543 -37.5526 35.6489 24.7793 TIMING: 2134000 CPU: 6191.74, 0.00288833/step Wall: 6191.74, 0.00288833/step, 2.29943 hours remaining, 207.613281 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: 2134000 711.1515 2078.0721 1992.5496 111.0955 -205718.5364 17644.5207 0.0000 0.0000 34356.4846 -148824.6624 300.0437 -183181.1470 -148730.4680 299.8118 -159.5939 -127.4232 559188.1604 -2.5790 -2.8132 PRESSURE: 2134200 211.804 -162.066 25.0149 -162.066 266.034 4.77252 25.0159 4.77219 70.2367 GPRESSURE: 2134200 306.164 -199.372 66.0862 -82.8413 321.796 -29.9031 6.21294 -17.1682 30.6752 PRESSAVG: 2134200 -3.11565 12.3415 -27.8543 12.3416 8.8581 10.5285 -27.8544 10.5284 -4.33984 GPRESSAVG: 2134200 -3.17813 12.5885 -25.8894 13.8135 8.86092 10.1704 -27.4867 10.9552 -4.54624 TIMING: 2134200 CPU: 6192.31, 0.00286852/step Wall: 6192.31, 0.00286852/step, 2.2835 hours remaining, 207.613281 MB of memory in use. ENERGY: 2134200 721.3539 2116.5263 1954.3771 119.9501 -206181.1813 18052.3138 0.0000 0.0000 34398.4224 -148818.2378 300.4100 -183216.6603 -148720.0580 300.8224 182.6913 219.5451 558417.9278 0.4675 0.3789 PRESSURE: 2134400 46.8612 -185.53 -61.7205 -185.53 -172.056 124.306 -61.7219 124.306 230.052 GPRESSURE: 2134400 80.1793 -85.7706 11.8013 -185.748 -145.219 28.3023 -116.38 126.094 253.916 PRESSAVG: 2134400 84.0818 -85.6487 -55.8865 -85.6486 -45.7903 28.754 -55.8865 28.7541 -40.3322 GPRESSAVG: 2134400 85.0791 -86.0115 -55.0844 -86.3717 -45.4997 30.8089 -59.9446 26.0695 -41.3 TIMING: 2134400 CPU: 6192.89, 0.00289561/step Wall: 6192.89, 0.00289561/step, 2.30491 hours remaining, 207.613281 MB of memory in use. ENERGY: 2134400 717.5673 2067.9442 1971.9542 122.5822 -205895.0472 17654.2189 0.0000 0.0000 34246.1090 -149114.6714 299.0798 -183360.7804 -149018.6872 300.2592 34.9527 62.9588 556550.3072 -0.6802 -0.5736 PRESSURE: 2134600 -149.951 -92.2228 51.3167 -92.2233 -331.726 -83.4774 51.3176 -83.4783 -264.785 GPRESSURE: 2134600 -180.198 -194.156 9.71456 -18.161 -274.076 -97.3303 10.2144 -53.4605 -180.252 PRESSAVG: 2134600 13.6371 13.2795 36.1968 13.2795 -17.3455 39.0805 36.1968 39.0805 14.9844 GPRESSAVG: 2134600 13.6598 13.3899 35.3924 14.1307 -17.9755 37.7758 37.9965 39.6064 15.2847 TIMING: 2134600 CPU: 6193.47, 0.00288776/step Wall: 6193.47, 0.00288776/step, 2.29849 hours remaining, 207.613281 MB of memory in use. ENERGY: 2134600 730.9845 2085.6949 1958.7577 119.3966 -205476.7564 17278.5972 0.0000 0.0000 34137.3857 -149165.9397 298.1303 -183303.3255 -149064.9023 299.5690 -248.8206 -211.5087 557139.3252 3.7587 3.6563 PRESSURE: 2134800 -171.379 -58.048 -56.0958 -58.0485 -35.231 -131.829 -56.0965 -131.83 -91.2433 GPRESSURE: 2134800 -171.409 -125.763 -58.2844 -46.2394 -7.7401 -118.783 -26.6064 -125.164 -10.7832 PRESSAVG: 2134800 -21.0834 -11.2769 5.10091 -11.2769 4.02311 2.03121 5.101 2.03126 8.35724 GPRESSAVG: 2134800 -22.2932 -11.7964 2.94025 -12.0555 3.76996 2.45983 7.06279 2.74353 9.46427 TIMING: 2134800 CPU: 6194.04, 0.00288785/step Wall: 6194.04, 0.00288785/step, 2.29841 hours remaining, 207.613281 MB of memory in use. ENERGY: 2134800 725.2754 2068.5441 1972.5046 117.5722 -205869.7135 17450.7503 0.0000 0.0000 34375.6042 -149159.4628 300.2107 -183535.0670 -149062.8887 299.1741 -99.2844 -63.3107 556092.9283 -2.9010 -3.0197 PRESSURE: 2135000 -146.414 156.602 -25.2733 156.601 -203.638 -72.5534 -25.2734 -72.5535 -299.618 GPRESSURE: 2135000 -139.906 145.384 30.3383 164.686 -154.095 -87.3003 -94.4217 -83.9659 -264.534 PRESSAVG: 2135000 -21.6531 33.3175 -4.76634 33.3174 56.2296 -0.443786 -4.76636 -0.443802 -61.5653 GPRESSAVG: 2135000 -21.187 34.3107 -2.89899 35.0358 55.9101 -2.03598 -5.73237 1.25983 -61.7895 TIMING: 2135000 CPU: 6194.62, 0.00287454/step Wall: 6194.62, 0.00287454/step, 2.28766 hours remaining, 207.613281 MB of memory in use. ENERGY: 2135000 742.1066 2138.3738 1964.8572 112.2113 -205901.5710 17573.7964 0.0000 0.0000 34141.8079 -149228.4178 298.1689 -183370.2257 -149134.2216 299.3855 -216.5568 -186.1784 558225.5028 -8.9963 -9.0222 PRESSURE: 2135200 -45.6883 29.1302 -137.201 29.13 92.4091 -43.1255 -137.201 -43.1267 11.309 GPRESSURE: 2135200 -47.9703 64.1213 -175.97 -29.0878 151.2 29.6352 -90.1239 -58.0776 47.5815 PRESSAVG: 2135200 -22.12 18.6605 -50.2212 18.6606 77.875 45.8788 -50.2213 45.879 -66.6462 GPRESSAVG: 2135200 -22.5698 18.0287 -51.8126 18.5105 78.4463 46.5705 -50.0088 45.8416 -66.3951 TIMING: 2135200 CPU: 6195.2, 0.0028902/step Wall: 6195.2, 0.0028902/step, 2.29996 hours remaining, 207.625000 MB of memory in use. ENERGY: 2135200 745.1940 2129.9091 2007.2339 113.4037 -206277.0238 17819.2432 0.0000 0.0000 34222.1638 -149239.8761 298.8707 -183462.0398 -149146.6981 298.5723 19.3433 50.2703 556268.5338 -3.6304 -3.5062 PRESSURE: 2135400 75.4906 -44.5004 -114.333 -44.5006 109.258 -42.6319 -114.333 -42.632 -28.2425 GPRESSURE: 2135400 91.9062 -76.6233 -60.8013 30.2682 161.46 -33.3379 -123.824 -36.9413 4.14834 PRESSAVG: 2135400 -18.1305 -25.8676 -13.5088 -25.8677 32.8067 23.9261 -13.5088 23.9261 5.41397 GPRESSAVG: 2135400 -17.4595 -23.9015 -10.7208 -26.4261 32.7973 24.7052 -13.6909 22.7494 4.95595 TIMING: 2135400 CPU: 6195.77, 0.00288184/step Wall: 6195.77, 0.00288184/step, 2.29315 hours remaining, 207.625000 MB of memory in use. ENERGY: 2135400 801.7337 2058.2012 1972.8764 110.3798 -206548.2604 18088.1955 0.0000 0.0000 34238.1908 -149278.6830 299.0106 -183516.8738 -149186.0759 298.7832 52.1687 85.8382 558639.3712 6.6967 6.7646 PRESSURE: 2135600 -314.793 136.263 -184.656 136.263 -26.8743 -55.2149 -184.657 -55.2138 194.425 GPRESSURE: 2135600 -317.54 233.499 -136.008 114.597 59.4868 -184.044 -174.424 -14.9963 206.774 PRESSAVG: 2135600 -10.6033 24.1879 -7.25578 24.188 36.4431 0.426304 -7.25581 0.426371 19.5076 GPRESSAVG: 2135600 -11.7753 21.9176 -10.0049 25.1764 36.976 1.66525 -7.32509 -0.712232 20.0154 TIMING: 2135600 CPU: 6196.35, 0.00289234/step Wall: 6196.35, 0.00289234/step, 2.30134 hours remaining, 207.625000 MB of memory in use. ENERGY: 2135600 778.5113 2100.5110 1970.0819 120.1363 -206547.5669 17922.5481 0.0000 0.0000 34240.8998 -149414.8786 299.0343 -183655.7783 -149316.7624 299.1214 -49.0807 -17.0931 558355.2782 15.1158 15.0720 PRESSURE: 2135800 26.4893 -56.0518 12.1886 -56.0511 -255.235 153.9 12.1883 153.9 118.454 GPRESSURE: 2135800 12.2014 -23.6184 12.9299 -87.3548 -219.207 126.777 -4.82084 111.383 198.247 PRESSAVG: 2135800 5.76467 12.387 29.4112 12.387 -45.6918 26.6393 29.4112 26.6394 57.3241 GPRESSAVG: 2135800 6.75582 11.8108 32.0344 12.2552 -46.5181 23.6218 29.1291 26.6778 57.8958 TIMING: 2135800 CPU: 6196.93, 0.00287436/step Wall: 6196.93, 0.00287436/step, 2.28688 hours remaining, 207.625000 MB of memory in use. ENERGY: 2135800 748.6992 2075.2781 1974.9271 119.0003 -206380.5834 17821.2576 0.0000 0.0000 34282.3183 -149359.1028 299.3960 -183641.4211 -149263.9881 298.8966 -36.7638 -2.9195 557973.2113 5.7990 6.0445 PRESSURE: 2136000 -116.115 -70.441 82.0046 -70.4414 -391.469 21.6668 82.0047 21.6669 -175.726 GPRESSURE: 2136000 -51.7441 -93.7831 50.7633 -56.0743 -362.305 8.89047 105.723 -12.3218 -170.928 PRESSAVG: 2136000 -3.93748 -42.0979 -14.2217 -42.0979 -39.0959 0.788886 -14.2218 0.788693 76.4364 GPRESSAVG: 2136000 -3.83577 -42.0693 -14.6051 -42.4411 -38.9245 1.40236 -14.9648 2.06848 75.7293 TIMING: 2136000 CPU: 6197.5, 0.00288365/step Wall: 6197.5, 0.00288364/step, 2.2941 hours remaining, 207.625000 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: 2136000 772.1792 2104.0017 1980.1313 121.5975 -206146.5530 17660.2581 0.0000 0.0000 34156.5019 -149351.8835 298.2972 -183508.3853 -149251.4301 298.9505 -227.7699 -194.9923 557383.5540 11.1343 10.9897 PRESSURE: 2136200 -61.955 -5.6498 -28.436 -5.64947 133.27 -98.3277 -28.4355 -98.327 -208.296 GPRESSURE: 2136200 -80.05 67.9818 -7.99585 16.9182 170.221 -53.5359 -22.2515 -76.1789 -116.059 PRESSAVG: 2136200 -41.6855 -1.27623 37.3392 -1.27633 -21.0465 -5.43141 37.3392 -5.43137 42.7307 GPRESSAVG: 2136200 -42.4932 -0.828885 36.391 -0.585966 -21.5186 -5.97115 37.5793 -4.24971 43.6539 TIMING: 2136200 CPU: 6198.09, 0.00291915/step Wall: 6198.09, 0.00291915/step, 2.32218 hours remaining, 207.625000 MB of memory in use. ENERGY: 2136200 737.0280 2159.7593 1964.8161 104.3507 -206367.0792 17852.5300 0.0000 0.0000 34226.0614 -149322.5338 298.9047 -183548.5952 -149223.1523 298.6015 -45.6603 -8.6296 558204.0050 -6.6671 -6.7860 LDB: ============= START OF LOAD BALANCING ============== 6201.55 LDB: ============== END OF LOAD BALANCING =============== 6201.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6201.55 LDB: ============= START OF LOAD BALANCING ============== 6201.84 LDB: Largest compute 4821 load 0.029340 is 24.9% of average load 0.117777 LDB: Average compute 0.001725 is 1.5% of average load 0.117777 LDB: TIME 6201.85 LOAD: AVG 0.117777 MAX 0.179232 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.82 MB LDB: TIME 6201.85 LOAD: AVG 0.117777 MAX 0.179232 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.062 MB LDB: TIME 6201.85 LOAD: AVG 0.117777 MAX 0.179232 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.062 MB LDB: ============== END OF LOAD BALANCING =============== 6201.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6201.85 PRESSURE: 2136400 30.3181 -22.6673 69.5034 -22.6669 -44.8427 30.6824 69.5025 30.6829 338.491 GPRESSURE: 2136400 85.2327 -71.5312 -0.971525 39.5947 -16.4283 121.608 100.365 -31.766 362.949 PRESSAVG: 2136400 -77.6404 -18.381 21.5753 -18.381 44.7819 38.9808 21.5753 38.9808 26.8577 GPRESSAVG: 2136400 -76.862 -16.8127 22.6712 -19.3404 44.2133 40.5532 22.6673 36.8678 26.342 TIMING: 2136400 CPU: 6198.68, 0.00295441/step Wall: 6198.68, 0.00295441/step, 2.35007 hours remaining, 205.105469 MB of memory in use. ENERGY: 2136400 749.4762 2127.0521 1946.0149 110.6641 -206812.8576 18224.4240 0.0000 0.0000 34323.8415 -149331.3848 299.7586 -183655.2263 -149235.1100 298.6731 107.9886 143.9179 557808.8053 -2.0003 -2.1022 PRESSURE: 2136600 -246.157 16.2857 166.218 16.2843 69.8161 -107.162 166.219 -107.162 198.956 GPRESSURE: 2136600 -141.906 40.9032 87.698 63.8675 112.272 -137.719 226.885 -123.591 152.43 PRESSAVG: 2136600 -99.6627 -9.75041 31.1409 -9.75047 80.2227 0.310171 31.1409 0.310168 19.766 GPRESSAVG: 2136600 -100.143 -9.24844 29.0494 -9.62513 81.1208 -1.61148 31.403 2.43448 18.8421 TIMING: 2136600 CPU: 6199.25, 0.00286738/step Wall: 6199.25, 0.00286738/step, 2.28068 hours remaining, 205.308594 MB of memory in use. ENERGY: 2136600 740.1612 2089.6648 1969.7674 118.2029 -206609.7685 18002.7508 0.0000 0.0000 34441.9680 -149247.2533 300.7903 -183689.2214 -149142.9744 299.1443 7.5384 40.9323 556900.5493 0.1087 -0.0601 PRESSURE: 2136800 -110.919 -13.0233 -74.9181 -13.0244 -169.052 -124.248 -74.9181 -124.247 -188.914 GPRESSURE: 2136800 -49.9698 13.2708 -115.251 -23.5453 -148.124 -141.151 4.54673 -141.239 -167.444 PRESSAVG: 2136800 20.8043 1.3026 14.1638 1.30258 -40.2488 -33.1078 14.1637 -33.1079 31.8815 GPRESSAVG: 2136800 21.1846 0.554223 17.2583 1.15188 -42.05 -30.1772 11.2282 -33.7296 33.4494 TIMING: 2136800 CPU: 6199.83, 0.00288089/step Wall: 6199.83, 0.00288089/step, 2.29127 hours remaining, 205.507812 MB of memory in use. ENERGY: 2136800 760.3524 2145.7067 1994.4650 133.1181 -205928.4764 17495.2901 0.0000 0.0000 34094.4251 -149305.1189 297.7551 -183399.5440 -149201.9846 299.2127 -156.2948 -121.8459 557835.5029 4.1457 4.1947 PRESSURE: 2137000 -56.8096 144.511 164.098 144.511 -220.999 223.237 164.099 223.238 -168.097 GPRESSURE: 2137000 -98.004 225.87 187.731 64.7335 -127.609 172.834 112.981 230.395 -119.574 PRESSAVG: 2137000 23.5182 -1.09246 -42.5639 -1.09246 -63.8089 55.3661 -42.564 55.3662 46.3861 GPRESSAVG: 2137000 22.4461 -2.91931 -43.2 -0.481512 -62.0656 52.4155 -42.4959 54.8004 45.6884 TIMING: 2137000 CPU: 6200.4, 0.00288607/step Wall: 6200.4, 0.00288607/step, 2.29523 hours remaining, 205.507812 MB of memory in use. ENERGY: 2137000 731.5292 2133.1281 1978.6606 126.4924 -206422.4895 17709.9959 0.0000 0.0000 34350.5280 -149392.1553 299.9917 -183742.6832 -149292.3327 298.8127 -148.6353 -115.0622 557327.4882 2.0318 2.0230 PRESSURE: 2137200 180.616 143.025 -7.76789 143.026 163.879 -12.5528 -7.76768 -12.5515 151.26 GPRESSURE: 2137200 187.141 114.739 -57.9274 158.849 201.595 -74.9375 20.0455 -29.6521 210.815 PRESSAVG: 2137200 38.5388 29.3339 35.9962 29.3338 8.0088 6.6488 35.9962 6.64873 -9.61196 GPRESSAVG: 2137200 39.7329 31.0291 36.9958 26.935 6.179 8.17282 36.1218 7.45858 -8.86242 TIMING: 2137200 CPU: 6200.98, 0.00288103/step Wall: 6200.98, 0.00288103/step, 2.29106 hours remaining, 205.507812 MB of memory in use. ENERGY: 2137200 736.1407 2152.1266 1962.2389 109.8053 -206477.5233 18087.4759 0.0000 0.0000 34109.4127 -149320.3232 297.8860 -183429.7360 -149227.5415 298.7669 165.2515 199.8502 557283.2120 12.3119 12.3498 PRESSURE: 2137400 198.397 145.934 -73.1454 145.933 104.241 0.0804817 -73.1456 0.0806262 173.879 GPRESSURE: 2137400 258.624 140.049 -134.442 154.911 98.1745 23.7492 -70.2063 -54.191 213.967 PRESSAVG: 2137400 12.8867 41.5929 -10.6477 41.5929 50.6371 23.292 -10.6477 23.292 -48.541 GPRESSAVG: 2137400 12.5329 41.1028 -13.366 43.7667 51.9244 22.1456 -7.95119 22.2006 -49.6094 TIMING: 2137400 CPU: 6201.56, 0.00288432/step Wall: 6201.56, 0.00288432/step, 2.29351 hours remaining, 205.507812 MB of memory in use. ENERGY: 2137400 775.3287 2119.2463 1958.6694 99.3418 -206925.7620 18155.2472 0.0000 0.0000 34390.5512 -149427.3775 300.3412 -183817.9286 -149329.1002 298.3757 158.8390 190.2552 557689.7272 4.9943 4.9493 PRESSURE: 2137600 53.9918 -109.199 -83.1261 -109.198 -314.18 48.8982 -83.1249 48.899 52.4056 GPRESSURE: 2137600 42.5874 -46.1119 -109.01 -46.4916 -206.507 -15.0937 -12.196 117.211 54.6412 PRESSAVG: 2137600 -9.88465 -9.66523 -11.5694 -9.66526 1.30134 4.09789 -11.5694 4.09798 -9.66141 GPRESSAVG: 2137600 -9.91788 -9.66297 -12.4429 -8.26805 0.992614 4.15761 -11.5919 5.41142 -9.03201 TIMING: 2137600 CPU: 6202.14, 0.00289984/step Wall: 6202.14, 0.00289984/step, 2.3057 hours remaining, 205.507812 MB of memory in use. ENERGY: 2137600 735.4624 2104.7011 1986.7423 114.1280 -206266.5491 17665.2549 0.0000 0.0000 34351.0528 -149309.2076 299.9963 -183660.2603 -149214.4193 298.4084 -69.2608 -36.4262 557604.7203 -6.0816 -5.9858 PRESSURE: 2137800 180.179 137.421 81.105 137.422 118.55 45.9952 81.105 45.9961 375.431 GPRESSURE: 2137800 255.136 94.0779 56.5287 175.592 124.109 15.6771 69.4744 11.7645 395.652 PRESSAVG: 2137800 59.8585 3.62212 -26.8328 3.6222 34.9284 13.5216 -26.8328 13.5216 -45.6851 GPRESSAVG: 2137800 60.9654 2.18978 -25.2725 1.16509 35.119 13.1985 -27.8121 13.8753 -46.3506 TIMING: 2137800 CPU: 6202.71, 0.00287654/step Wall: 6202.71, 0.00287654/step, 2.28701 hours remaining, 205.507812 MB of memory in use. ENERGY: 2137800 702.0702 2117.6416 1963.1240 123.3383 -206608.1049 18172.4635 0.0000 0.0000 34190.5223 -149338.9449 298.5943 -183529.4672 -149242.4419 298.6558 224.7199 258.2989 557591.8788 16.3673 16.5780 PRESSURE: 2138000 -58.2662 22.5902 98.2275 22.5917 -455.438 -105.225 98.228 -105.225 -73.1839 GPRESSURE: 2138000 -153.567 29.4812 79.1064 18.796 -290.816 -64.2885 90.6751 -121.126 -44.026 PRESSAVG: 2138000 35.1454 38.895 -17.6673 38.8951 -12.638 -8.70125 -17.6672 -8.70115 -22.4062 GPRESSAVG: 2138000 35.0733 40.4774 -16.6291 39.9234 -12.0801 -8.91531 -18.479 -8.47761 -22.8345 TIMING: 2138000 CPU: 6203.29, 0.0028865/step Wall: 6203.29, 0.0028865/step, 2.29476 hours remaining, 205.507812 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: 2138000 752.0285 2098.4894 1990.2477 114.3664 -205903.0625 17495.1889 0.0000 0.0000 34045.1477 -149407.5939 297.3247 -183452.7416 -149321.0256 299.0207 -195.6293 -162.8030 557459.5147 0.0337 0.0529 PRESSURE: 2138200 124.303 45.4425 68.0863 45.4433 19.317 85.957 68.0881 85.9586 -332.319 GPRESSURE: 2138200 137.452 27.5445 8.30049 117.924 65.2002 3.42089 117.753 34.8168 -290.004 PRESSAVG: 2138200 22.7846 4.34633 21.0281 4.34635 -56.2751 19.7083 21.0282 19.7083 33.8575 GPRESSAVG: 2138200 22.038 5.96133 19.8826 2.10557 -56.7303 19.8296 22.4213 17.5731 34.7995 TIMING: 2138200 CPU: 6203.86, 0.00286238/step Wall: 6203.86, 0.00286238/step, 2.27544 hours remaining, 205.507812 MB of memory in use. ENERGY: 2138200 730.2979 2025.3743 1981.1110 101.0452 -205993.6500 17648.1447 0.0000 0.0000 34189.8300 -149317.8469 298.5883 -183507.6769 -149216.6036 298.8664 -62.8998 -29.1175 557684.0955 0.1223 0.0357 PRESSURE: 2138400 -117.049 71.5143 83.7916 71.515 -35.5366 80.1218 83.7921 80.1209 6.78327 GPRESSURE: 2138400 -76.358 37.4524 39.6719 112.109 36.2588 141.129 91.6576 12.4324 -8.56382 PRESSAVG: 2138400 -43.5866 32.1549 23.4826 32.1549 58.3888 41.1913 23.4824 41.1913 -26.227 GPRESSAVG: 2138400 -43.8306 32.1901 24.0484 33.0546 59.2035 39.9596 21.6732 44.5186 -26.6181 TIMING: 2138400 CPU: 6204.43, 0.00286155/step Wall: 6204.43, 0.00286155/step, 2.27461 hours remaining, 205.507812 MB of memory in use. ENERGY: 2138400 773.3302 2000.6250 1970.0160 115.2470 -206193.0571 17710.3524 0.0000 0.0000 34360.0914 -149263.3952 300.0752 -183623.4866 -149155.2045 299.1505 -48.6007 -16.2210 556800.6577 -3.8083 -3.7484 PRESSURE: 2138600 -158.905 -2.37967 75.1548 -2.3792 1.47225 -54.932 75.1547 -54.9324 93.0637 GPRESSURE: 2138600 -137.19 -22.8068 96.83 -46.7388 73.4781 -14.7831 57.9647 -90.0581 104.76 PRESSAVG: 2138600 -75.7242 -11.6222 20.3171 -11.6221 -41.0689 -10.2264 20.3171 -10.2265 56.5066 GPRESSAVG: 2138600 -75.5039 -12.3051 19.8079 -9.47241 -41.4543 -11.3255 22.46 -12.1275 56.4881 TIMING: 2138600 CPU: 6205.01, 0.00288112/step Wall: 6205.01, 0.00288112/step, 2.29001 hours remaining, 205.507812 MB of memory in use. ENERGY: 2138600 724.3368 2093.5491 1955.5018 138.8280 -206076.3188 17691.3098 0.0000 0.0000 34365.2991 -149107.4941 300.1207 -183472.7932 -149011.1693 299.0864 -21.4562 13.6827 556482.1910 -20.0955 -20.1567 PRESSURE: 2138800 -37.9498 12.2112 171.501 12.2111 377.178 48.6268 171.5 48.6277 186.757 GPRESSURE: 2138800 12.3688 -33.6029 160.038 65.9091 370.39 -88.0449 184.158 101.592 247.194 PRESSAVG: 2138800 -43.181 51.323 15.9408 51.3229 19.669 11.0644 15.9407 11.0643 12.8104 GPRESSAVG: 2138800 -42.8512 50.4365 15.5696 49.5194 18.9977 12.6747 15.1066 11.5549 13.4511 TIMING: 2138800 CPU: 6205.59, 0.00287438/step Wall: 6205.59, 0.00287438/step, 2.28449 hours remaining, 205.507812 MB of memory in use. ENERGY: 2138800 742.9569 2086.8575 1934.2384 122.9317 -206319.5824 18033.6223 0.0000 0.0000 34167.6843 -149231.2912 298.3949 -183398.9755 -149132.6294 299.3205 175.3284 209.9842 556741.4526 -3.5672 -3.4675 PRESSURE: 2139000 79.6739 -32.953 61.1062 -32.9537 54.2159 -77.7244 61.1069 -77.7247 -173.19 GPRESSURE: 2139000 97.1884 19.5274 15.6273 -82.0463 106.668 -1.58309 98.5229 -45.7164 -143.567 PRESSAVG: 2139000 -11.9715 -39.7001 45.6428 -39.7002 4.96443 19.3711 45.643 19.371 7.96315 GPRESSAVG: 2139000 -11.129 -38.2196 44.3722 -40.4844 4.45705 19.5924 47.1106 18.9868 8.1411 TIMING: 2139000 CPU: 6206.16, 0.00285978/step Wall: 6206.16, 0.00285978/step, 2.27273 hours remaining, 205.507812 MB of memory in use. ENERGY: 2139000 751.0407 2121.2549 1949.0495 109.9617 -206187.4954 17872.3296 0.0000 0.0000 34153.5362 -149230.3228 298.2713 -183383.8589 -149137.6859 299.2104 -13.1000 20.0963 556487.2523 0.3187 0.4897 PRESSURE: 2139200 -273.685 -34.1545 144.788 -34.1547 -117.154 -51.2459 144.787 -51.2446 -361.181 GPRESSURE: 2139200 -233.32 -11.6946 150.795 -134.963 -77.2068 -75.6903 112.527 6.41047 -345.626 PRESSAVG: 2139200 32.1079 -33.7712 5.52782 -33.7713 -16.8385 -29.5236 5.52781 -29.5237 -29.4441 GPRESSAVG: 2139200 31.8174 -35.2967 4.92735 -33.6017 -15.5018 -28.2185 3.02365 -28.625 -30.2581 TIMING: 2139200 CPU: 6206.73, 0.00285835/step Wall: 6206.73, 0.00285835/step, 2.27143 hours remaining, 205.507812 MB of memory in use. ENERGY: 2139200 762.8607 2102.1203 1967.2069 110.7754 -205428.6994 17444.2471 0.0000 0.0000 33992.9605 -149048.5285 296.8690 -183041.4890 -148956.4084 299.3336 -250.6734 -218.7177 557873.3248 -4.7249 -4.6475 PRESSURE: 2139400 -30.8759 91.4943 -115.075 91.4941 -165.21 76.2534 -115.075 76.2537 -16.7211 GPRESSURE: 2139400 28.4447 39.6101 -134.755 111.938 -158.941 112.45 -18.9868 27.2874 12.4622 PRESSAVG: 2139400 21.3534 3.88999 60.2873 3.88991 -28.953 -23.0182 60.2872 -23.0182 44.0586 GPRESSAVG: 2139400 21.8057 4.24733 63.249 3.81787 -29.2187 -22.3704 60.2357 -23.2808 43.8837 TIMING: 2139400 CPU: 6207.3, 0.00286898/step Wall: 6207.3, 0.00286898/step, 2.27973 hours remaining, 205.507812 MB of memory in use. ENERGY: 2139400 770.5591 2070.3596 1969.9147 115.9050 -206075.5305 17840.8387 0.0000 0.0000 34292.3775 -149015.5761 299.4839 -183307.9535 -148907.2406 300.1529 -70.9358 -39.3447 557319.2780 12.1530 12.1569 PRESSURE: 2139600 112.148 -46.5087 -147.076 -46.5071 -52.8253 182.273 -147.077 182.271 -35.4129 GPRESSURE: 2139600 148.992 -119.323 -154.029 19.1085 -65.4299 222.887 -188.615 188.927 31.6317 PRESSAVG: 2139600 86.2551 72.5868 -21.9383 72.5868 -32.9495 35.455 -21.9382 35.4549 -43.6395 GPRESSAVG: 2139600 84.9916 72.6308 -20.5004 72.5332 -33.2837 34.0018 -22.5189 35.7459 -42.2049 TIMING: 2139600 CPU: 6207.88, 0.00287218/step Wall: 6207.88, 0.00287218/step, 2.28211 hours remaining, 205.507812 MB of memory in use. ENERGY: 2139600 745.4555 2118.7328 1957.8518 120.6833 -205866.7284 17712.2815 0.0000 0.0000 34067.5504 -149144.1731 297.5204 -183211.7235 -149048.6511 299.6112 7.9701 38.3980 557288.1451 3.2220 3.1677 PRESSURE: 2139800 -108.857 -34.6815 136.64 -34.6825 -270.903 105.996 136.641 105.994 -396.872 GPRESSURE: 2139800 -112.443 -43.7025 119.346 -29.2463 -222.45 104.204 94.3743 145.792 -337.55 PRESSAVG: 2139800 27.2025 16.8964 63.0307 16.8964 4.1313 46.277 63.0307 46.2769 14.151 GPRESSAVG: 2139800 28.462 15.3162 61.9122 16.9845 4.78089 45.0231 63.3898 46.44 12.5933 TIMING: 2139800 CPU: 6208.46, 0.00289029/step Wall: 6208.46, 0.00289029/step, 2.29634 hours remaining, 205.507812 MB of memory in use. ENERGY: 2139800 763.3499 2025.2013 1968.6497 120.6323 -205906.8581 17538.8941 0.0000 0.0000 34233.7869 -149256.3440 298.9722 -183490.1309 -149155.4652 298.7481 -258.8778 -224.1475 558631.6280 15.1616 15.2787 PRESSURE: 2140000 70.688 -195.605 42.5635 -195.605 125.99 -32.6731 42.5637 -32.6728 -61.973 GPRESSURE: 2140000 89.2945 -224.167 91.3963 -226.573 209.012 -43.5709 61.3525 -25.4328 -63.2934 PRESSAVG: 2140000 -62.5943 -30.7331 18.2032 -30.733 6.20749 -8.85741 18.2032 -8.85737 32.1692 GPRESSAVG: 2140000 -62.1698 -29.8141 15.7355 -30.1751 5.3598 -6.89785 19.128 -9.0531 32.6734 TIMING: 2140000 CPU: 6209.03, 0.00286545/step Wall: 6209.03, 0.00286545/step, 2.27644 hours remaining, 205.507812 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: 2140000 745.9720 2090.5813 1974.5024 102.6093 -206443.9577 18038.0085 0.0000 0.0000 34166.8280 -149325.4562 298.3874 -183492.2842 -149231.1620 298.9686 44.9016 78.3377 556310.0023 -8.0725 -8.0455 PRESSURE: 2140200 64.644 -55.9756 -107.761 -55.9761 228.348 154.214 -107.761 154.214 -198.317 GPRESSURE: 2140200 95.6258 7.68977 -98.8838 -84.2104 249.966 165.975 -109.204 89.8457 -152.573 PRESSAVG: 2140200 -25.0206 12.4862 -16.0471 12.4862 -2.83379 21.1806 -16.0471 21.1805 47.7636 GPRESSAVG: 2140200 -25.9867 14.2004 -14.1891 12.1636 -1.6255 20.0867 -15.0387 20.0631 47.1119 TIMING: 2140200 CPU: 6209.6, 0.00287743/step Wall: 6209.6, 0.00287743/step, 2.2858 hours remaining, 205.507812 MB of memory in use. ENERGY: 2140200 768.5799 2068.9426 1978.9936 116.8886 -206629.8908 18111.8442 0.0000 0.0000 34301.2719 -149283.3701 299.5615 -183584.6419 -149187.9306 298.7874 31.5582 64.3393 557026.9228 6.6364 6.4999 LDB: ============= START OF LOAD BALANCING ============== 6213.07 LDB: ============== END OF LOAD BALANCING =============== 6213.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6213.07 LDB: ============= START OF LOAD BALANCING ============== 6213.36 LDB: Largest compute 4821 load 0.029335 is 24.9% of average load 0.117775 LDB: Average compute 0.001730 is 1.5% of average load 0.117775 LDB: TIME 6213.36 LOAD: AVG 0.117775 MAX 0.177702 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 6213.36 LOAD: AVG 0.117775 MAX 0.177702 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6213.36 LOAD: AVG 0.117775 MAX 0.177702 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 6213.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6213.37 PRESSURE: 2140400 -93.9401 -22.24 23.4323 -22.2404 21.1901 -69.0861 23.4316 -69.0865 64.7174 GPRESSURE: 2140400 -46.2065 17.4682 -13.9763 54.0798 64.1517 -7.71122 -10.7642 -11.4927 62.2839 PRESSAVG: 2140400 -45.5409 64.9692 -27.7104 64.9692 50.488 3.48197 -27.7105 3.48199 20.961 GPRESSAVG: 2140400 -44.7556 62.814 -29.2443 66.273 50.2355 3.52389 -28.4118 5.56905 20.9697 TIMING: 2140400 CPU: 6210.19, 0.00293416/step Wall: 6210.19, 0.00293416/step, 2.3307 hours remaining, 205.933594 MB of memory in use. ENERGY: 2140400 734.4948 2160.8640 1962.1126 94.0675 -206437.8472 17954.3430 0.0000 0.0000 34238.9801 -149292.9851 299.0175 -183531.9653 -149192.8482 299.0009 -2.6775 26.7430 557266.6924 8.6360 8.8165 PRESSURE: 2140600 -230.693 15.3171 -25.4279 15.317 60.117 91.4193 -25.4272 91.4193 226.329 GPRESSURE: 2140600 -215.404 -56.5339 -92.0744 59.5231 103.822 36.2965 55.6301 119.384 256.649 PRESSAVG: 2140600 -3.35937 -15.4434 -50.0576 -15.4434 -2.32854 11.374 -50.0577 11.374 21.7249 GPRESSAVG: 2140600 -3.6389 -15.0007 -49.1294 -16.5168 -2.91589 11.4924 -49.9601 9.28146 23.1152 TIMING: 2140600 CPU: 6210.77, 0.00287855/step Wall: 6210.77, 0.00287854/step, 2.28636 hours remaining, 205.933594 MB of memory in use. ENERGY: 2140600 762.4314 2095.2398 1972.9547 130.0381 -206319.4513 17851.4470 0.0000 0.0000 34211.0915 -149296.2489 298.7740 -183507.3404 -149200.5457 298.8601 18.5843 48.3557 557490.9946 5.3457 5.5201 PRESSURE: 2140800 20.0957 250.227 -146.979 250.226 97.2627 -48.7017 -146.979 -48.7021 -100.234 GPRESSURE: 2140800 38.0283 253.641 -203.674 177.706 136.042 28.5331 -93.2828 -75.4124 -69.3669 PRESSAVG: 2140800 -113.805 39.7507 -25.8219 39.7506 36.0963 -4.52182 -25.8219 -4.52185 46.1934 GPRESSAVG: 2140800 -113.935 40.5478 -27.2992 38.5968 36.4055 0.303493 -26.2492 -7.49732 46.4516 TIMING: 2140800 CPU: 6211.34, 0.00286178/step Wall: 6211.34, 0.00286178/step, 2.27289 hours remaining, 205.933594 MB of memory in use. ENERGY: 2140800 755.7818 2059.7102 1982.9417 107.7093 -206342.5252 17831.7808 0.0000 0.0000 34287.8620 -149316.7394 299.4444 -183604.6014 -149214.1157 299.3934 5.7080 34.9011 556966.5289 -10.5051 -10.3594 PRESSURE: 2141000 -354.271 16.1534 69.556 16.154 -313.529 -4.45735 69.555 -4.45654 -356.748 GPRESSURE: 2141000 -268.742 -55.4366 85.7445 82.348 -345.626 -28.2494 -57.0266 13.5204 -307.759 PRESSAVG: 2141000 -13.5013 66.7384 35.4668 66.7383 52.897 -2.71496 35.4669 -2.71483 -15.7317 GPRESSAVG: 2141000 -13.067 65.5131 37.5787 66.0907 53.1288 -6.62365 35.1842 1.48915 -15.7162 TIMING: 2141000 CPU: 6211.91, 0.00287426/step Wall: 6211.91, 0.00287426/step, 2.28264 hours remaining, 205.945312 MB of memory in use. ENERGY: 2141000 754.3020 2100.1488 1980.2943 120.2040 -205773.5082 17373.3352 0.0000 0.0000 34235.8575 -149209.3664 298.9903 -183445.2239 -149116.0869 299.4326 -341.5161 -307.3758 558845.4119 7.8880 8.1152 PRESSURE: 2141200 109.976 126.203 99.6182 126.204 -132.204 169.166 99.6189 169.166 -163.652 GPRESSURE: 2141200 185.394 112.487 148.978 76.564 -135.356 195.96 46.4283 152.501 -142.247 PRESSAVG: 2141200 41.6852 -36.8302 54.5398 -36.8301 7.88904 32.6471 54.5397 32.6472 -43.0665 GPRESSAVG: 2141200 41.6556 -37.0969 54.125 -33.4078 7.58582 34.7524 53.1754 31.3568 -43.1446 TIMING: 2141200 CPU: 6212.49, 0.00288435/step Wall: 6212.49, 0.00288435/step, 2.29049 hours remaining, 205.945312 MB of memory in use. ENERGY: 2141200 728.5593 2093.7718 1989.0476 133.1067 -206229.3839 17730.1841 0.0000 0.0000 34291.9376 -149262.7768 299.4800 -183554.7144 -149172.6041 299.3139 -61.9601 -30.7365 557261.9084 2.1692 2.0323 PRESSURE: 2141400 -290.767 39.5993 -88.4696 39.5998 -252.509 -38.0575 -88.4697 -38.0582 -113.034 GPRESSURE: 2141400 -308.916 62.4022 -94.9682 70.3828 -173.358 75.477 -94.5122 -50.9702 -77.3419 PRESSAVG: 2141400 13.4848 10.0185 21.5912 10.0186 -10.6469 3.35021 21.591 3.35005 6.68656 GPRESSAVG: 2141400 12.9785 10.1021 20.8198 7.16943 -10.1284 2.00586 24.7614 5.26104 6.50359 TIMING: 2141400 CPU: 6213.06, 0.00285713/step Wall: 6213.06, 0.00285713/step, 2.26872 hours remaining, 205.945312 MB of memory in use. ENERGY: 2141400 751.8573 2059.3171 1954.3115 107.1331 -205958.5464 17582.2848 0.0000 0.0000 34041.5915 -149462.0512 297.2937 -183503.6426 -149365.7302 298.4109 -218.7699 -186.5386 558721.9584 3.1748 3.1179 PRESSURE: 2141600 -82.5713 7.2691 83.3399 7.26732 184.865 104.225 83.3396 104.226 -60.7724 GPRESSURE: 2141600 -17.8575 -21.7703 63.7036 1.11642 169.926 156.604 72.5297 149.613 -13.7335 PRESSAVG: 2141600 -21.0521 -28.66 -5.31283 -28.66 27.5059 17.5467 -5.31282 17.5466 1.64037 GPRESSAVG: 2141600 -19.1172 -30.0816 -3.77256 -27.0792 25.9362 17.14 -8.06161 15.7284 1.41339 TIMING: 2141600 CPU: 6213.63, 0.00285848/step Wall: 6213.63, 0.00285848/step, 2.26963 hours remaining, 205.945312 MB of memory in use. ENERGY: 2141600 751.4445 2091.8492 1957.8350 127.0485 -206453.3202 17933.5441 0.0000 0.0000 34156.1248 -149435.4741 298.2939 -183591.5989 -149337.3090 298.7915 13.8403 46.1116 558259.7500 2.6981 2.7442 PRESSURE: 2141800 103.282 -105.141 -75.7945 -105.142 -5.6331 145.918 -75.7961 145.917 -44.881 GPRESSURE: 2141800 125.471 -89.0606 -46.8383 -65.9083 63.483 127.172 -102.691 102.754 -28.509 PRESSAVG: 2141800 -3.63407 71.6255 -29.4515 71.6256 -34.4266 50.6068 -29.4516 50.6069 4.46747 GPRESSAVG: 2141800 -5.26324 72.0461 -32.6377 72.1603 -33.9418 48.7317 -26.6451 51.6286 5.51409 TIMING: 2141800 CPU: 6214.21, 0.00286884/step Wall: 6214.21, 0.00286884/step, 2.2777 hours remaining, 205.945312 MB of memory in use. ENERGY: 2141800 737.2073 2123.7122 1973.9967 124.9045 -206462.9261 17927.4176 0.0000 0.0000 34223.9586 -149351.7291 298.8863 -183575.6878 -149254.9257 298.8012 17.5892 53.4815 557148.3650 -11.1977 -11.2303 PRESSURE: 2142000 -0.203669 15.8862 -62.6324 15.887 83.8455 46.8563 -62.6315 46.8564 -30.1797 GPRESSURE: 2142000 -18.1735 70.6187 -19.611 -0.581367 119.613 10.216 -108.749 97.7485 41.5631 PRESSAVG: 2142000 21.7141 15.9548 7.83312 15.9548 -30.7931 73.8154 7.83319 73.8156 -1.55055 GPRESSAVG: 2142000 21.9572 17.0347 11.6311 15.0773 -30.2864 76.1111 7.0703 75.8175 -1.89076 TIMING: 2142000 CPU: 6214.78, 0.00288452/step Wall: 6214.78, 0.00288452/step, 2.28999 hours remaining, 205.945312 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: 2142000 717.8254 2038.3958 1950.2325 104.8626 -206088.6529 17649.2416 0.0000 0.0000 34196.4625 -149431.6326 298.6462 -183628.0950 -149330.9841 298.8622 17.8207 47.6676 556484.7972 -3.5432 -3.4067 PRESSURE: 2142200 -420.173 -322.975 -4.45983 -322.975 41.7475 47.6274 -4.45948 47.6262 -65.4624 GPRESSURE: 2142200 -394.612 -381.756 -11.2614 -299.454 40.1066 49.7531 -22.7663 75.4406 5.3583 PRESSAVG: 2142200 8.62015 17.9642 -41.7667 17.9643 -28.9768 53.425 -41.7667 53.4249 43.9393 GPRESSAVG: 2142200 8.08528 17.9267 -44.833 18.8266 -29.1324 51.7395 -41.0953 52.0007 44.1488 TIMING: 2142200 CPU: 6215.37, 0.00291776/step Wall: 6215.37, 0.00291776/step, 2.31621 hours remaining, 205.945312 MB of memory in use. ENERGY: 2142200 757.1008 2039.0412 1971.9569 116.8742 -205667.2123 17464.6550 0.0000 0.0000 34112.5160 -149205.0682 297.9131 -183317.5843 -149104.3181 298.3253 -147.9625 -116.3825 556375.4749 7.8609 7.7006 PRESSURE: 2142400 16.9697 -80.3132 8.59 -80.3135 148.538 -21.525 8.58975 -21.5263 -34.8528 GPRESSURE: 2142400 60.1041 -7.80423 55.4378 -10.8919 171.027 -1.9122 -47.8963 -22.5039 10.0535 PRESSAVG: 2142400 -50.7351 -47.6735 35.4016 -47.6735 55.0044 20.7132 35.4016 20.7132 3.09485 GPRESSAVG: 2142400 -50.1577 -47.7498 36.1217 -47.8519 55.2934 22.0864 34.0953 20.6525 2.48637 TIMING: 2142400 CPU: 6215.95, 0.00290135/step Wall: 6215.95, 0.00290135/step, 2.30302 hours remaining, 205.945312 MB of memory in use. ENERGY: 2142400 766.5865 2094.2649 1947.5029 117.8237 -206093.6410 17812.1042 0.0000 0.0000 34162.8781 -149192.4807 298.3529 -183355.3587 -149101.7959 298.6189 43.5515 80.3950 557244.7108 2.4547 2.5407 PRESSURE: 2142600 188.512 -111.709 -53.8435 -111.709 -103.568 -249.211 -53.8422 -249.211 72.7737 GPRESSURE: 2142600 221.33 -95.9959 -135.08 -63.1018 -53.63 -260.79 -59.891 -156.934 86.4323 PRESSAVG: 2142600 -17.7597 -141.139 25.958 -141.139 10.0471 -59.2524 25.958 -59.2524 8.55097 GPRESSAVG: 2142600 -18.7088 -141.178 25.5213 -140.494 9.51923 -59.1894 25.5289 -56.6266 10.1951 TIMING: 2142600 CPU: 6216.53, 0.00289807/step Wall: 6216.53, 0.00289807/step, 2.30027 hours remaining, 205.945312 MB of memory in use. ENERGY: 2142600 732.6346 2105.9454 1954.0931 109.1557 -206368.0309 18012.1247 0.0000 0.0000 34210.4596 -149243.6179 298.7685 -183454.0775 -149157.1868 298.4713 52.5727 84.7107 556892.6412 0.2795 0.3352 PRESSURE: 2142800 257.366 69.4349 -78.3969 69.4344 96.2263 114.182 -78.3968 114.183 16.2343 GPRESSURE: 2142800 254.11 79.1477 -27.8603 -11.0157 113.722 118.606 -84.1587 132.547 93.5771 PRESSAVG: 2142800 -17.2137 0.320123 -13.668 0.320129 30.2218 52.2578 -13.668 52.2578 15.5397 GPRESSAVG: 2142800 -16.4733 -1.63402 -12.1421 -0.709983 29.4841 51.8201 -13.9961 51.4171 15.3136 TIMING: 2142800 CPU: 6217.11, 0.0028999/step Wall: 6217.11, 0.0028999/step, 2.30155 hours remaining, 205.945312 MB of memory in use. ENERGY: 2142800 726.4018 2024.6110 1959.6258 117.9247 -206223.2981 17883.4075 0.0000 0.0000 34280.3229 -149231.0045 299.3786 -183511.3274 -149124.9412 298.8648 123.2756 153.8032 556627.6706 9.5159 9.4415 PRESSURE: 2143000 -73.2547 -106.601 -37.2335 -106.601 113.446 29.2191 -37.2328 29.2196 212.931 GPRESSURE: 2143000 -9.48071 -155.319 -15.5394 -25.6917 153.447 22.8849 -0.085296 34.5206 217.368 PRESSAVG: 2143000 -25.7387 -26.1579 -4.79766 -26.1581 50.5586 8.42667 -4.79763 8.42678 -43.3704 GPRESSAVG: 2143000 -25.2367 -26.5977 -4.64415 -24.9342 51.3109 8.17086 -3.78089 8.62089 -44.71 TIMING: 2143000 CPU: 6217.69, 0.00290003/step Wall: 6217.69, 0.00290003/step, 2.30149 hours remaining, 205.945312 MB of memory in use. ENERGY: 2143000 764.4595 2134.1970 1948.5614 129.7560 -206300.6388 17930.9498 0.0000 0.0000 34398.7122 -148994.0029 300.4125 -183392.7151 -148893.2167 299.5987 84.3743 120.4447 557456.2737 -6.1835 -6.2119 PRESSURE: 2143200 20.9451 -45.9729 45.111 -45.9721 -283.168 -26.4805 45.1106 -26.48 -188.562 GPRESSURE: 2143200 13.3739 53.316 75.3207 -58.2731 -256.213 44.4879 30.5585 -90.0602 -93.8018 PRESSAVG: 2143200 -0.507179 -3.61168 -4.22449 -3.61158 -5.32094 14.6644 -4.22449 14.6643 25.4613 GPRESSAVG: 2143200 -1.74837 0.427781 -5.60164 -5.55861 -5.26618 14.8943 -4.71629 13.0551 26.0902 TIMING: 2143200 CPU: 6218.27, 0.00291828/step Wall: 6218.27, 0.00291828/step, 2.31582 hours remaining, 205.945312 MB of memory in use. ENERGY: 2143200 751.4622 2097.4676 1970.0293 110.6551 -205702.8531 17470.0458 0.0000 0.0000 34377.3424 -148925.8508 300.2259 -183303.1931 -148831.3855 300.0506 -150.2616 -112.2138 558464.6851 6.5444 6.3585 PRESSURE: 2143400 -6.89536 75.0507 5.73583 75.0509 -200.566 -46.5983 5.73643 -46.5968 -470.795 GPRESSURE: 2143400 -4.94995 99.0126 51.1036 144.569 -172.265 -15.0676 -47.8781 19.825 -394.778 PRESSAVG: 2143400 33.8118 -6.59231 -8.28 -6.59222 -19.825 26.0861 -8.28008 26.086 -36.9095 GPRESSAVG: 2143400 34.1729 -7.45006 -7.85638 -7.03634 -21.7331 26.1179 -8.94304 27.2227 -35.3678 TIMING: 2143400 CPU: 6218.85, 0.00290166/step Wall: 6218.85, 0.00290166/step, 2.30247 hours remaining, 205.945312 MB of memory in use. ENERGY: 2143400 734.8200 2062.3202 1963.7817 121.8952 -205558.0405 17385.6134 0.0000 0.0000 34267.1527 -149022.4573 299.2636 -183289.6100 -148925.8366 300.3583 -226.0853 -190.6642 557446.4593 -7.6409 -7.6427 PRESSURE: 2143600 -8.45329 -21.3777 14.8338 -21.3788 108.981 -41.8142 14.8322 -41.8137 -122.148 GPRESSURE: 2143600 38.7992 -37.7711 52.2615 -73.0613 125.936 -44.9832 37.1531 -39.412 -76.4977 PRESSAVG: 2143600 -41.9821 -12.5507 9.41916 -12.5507 41.1338 -14.73 9.41916 -14.7299 12.7334 GPRESSAVG: 2143600 -42.9805 -13.1214 8.64946 -12.2936 43.6115 -13.1393 11.3762 -16.9023 11.5432 TIMING: 2143600 CPU: 6219.43, 0.00290119/step Wall: 6219.43, 0.00290119/step, 2.30194 hours remaining, 205.945312 MB of memory in use. ENERGY: 2143600 750.7558 2053.5675 1966.2092 98.7399 -205948.8118 17742.3964 0.0000 0.0000 34327.2077 -149009.9353 299.7880 -183337.1431 -148908.2133 299.9144 -7.2067 29.4126 557148.1042 3.9617 4.0581 PRESSURE: 2143800 -106.208 -89.4157 180.904 -89.4148 -28.3669 -95.2197 180.903 -95.2205 -6.90235 GPRESSURE: 2143800 -55.1462 -22.7842 194.218 -195.862 -1.23127 -170.261 186.714 -96.3772 8.49069 PRESSAVG: 2143800 -56.5935 22.8891 41.9021 22.8891 25.0776 -12.7444 41.902 -12.7445 70.6249 GPRESSAVG: 2143800 -55.9307 22.5448 41.6867 22.5168 24.0465 -14.6305 39.994 -9.92408 70.7015 TIMING: 2143800 CPU: 6220.01, 0.00288553/step Wall: 6220.01, 0.00288553/step, 2.28935 hours remaining, 205.945312 MB of memory in use. ENERGY: 2143800 758.0540 2100.0355 1961.5803 96.0621 -205924.9360 17850.3513 0.0000 0.0000 34240.1105 -148918.7424 299.0274 -183158.8529 -148827.7212 299.9746 -47.1591 -15.9622 558663.6692 13.0363 12.9391 PRESSURE: 2144000 -161.987 -73.3387 -59.7288 -73.3386 35.9108 0.235982 -59.7289 0.236274 85.0723 GPRESSURE: 2144000 -115.498 -19.9616 19.2723 -183.899 51.6646 -5.98116 -101.704 0.304954 112.454 PRESSAVG: 2144000 -19.7971 18.8251 0.443952 18.8251 -40.5678 -26.8489 0.443896 -26.8488 -27.3682 GPRESSAVG: 2144000 -19.6304 19.5776 3.16639 19.4581 -41.3053 -25.6247 -0.509017 -28.4285 -26.9712 TIMING: 2144000 CPU: 6220.59, 0.00288995/step Wall: 6220.59, 0.00288995/step, 2.29269 hours remaining, 205.945312 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: 2144000 697.6292 2087.9169 1973.2537 112.8859 -205914.1410 17709.5257 0.0000 0.0000 34393.9336 -148938.9960 300.3708 -183332.9296 -148840.1408 299.8310 -13.6679 16.2069 558275.7132 -29.2444 -29.3023 PRESSURE: 2144200 23.2601 -13.7272 -137.936 -13.7257 89.2796 -72.1693 -137.936 -72.1698 -207.478 GPRESSURE: 2144200 82.5845 -73.3035 -164.835 10.1147 87.8772 -78.9729 -171.8 -48.7734 -152.637 PRESSAVG: 2144200 -26.491 -26.9927 -33.1468 -26.9927 -11.46 19.1342 -33.1468 19.1342 12.5888 GPRESSAVG: 2144200 -26.6909 -28.339 -35.1864 -25.5729 -10.9586 20.8609 -32.1016 18.3901 11.9251 TIMING: 2144200 CPU: 6221.16, 0.00288644/step Wall: 6221.16, 0.00288644/step, 2.28975 hours remaining, 205.945312 MB of memory in use. ENERGY: 2144200 747.5114 2107.5624 1970.3431 117.7008 -205933.0891 17847.5982 0.0000 0.0000 34138.0633 -149004.3100 298.1362 -183142.3733 -148904.1538 299.0022 -31.6460 5.9416 559832.7052 -8.4541 -8.5748 LDB: ============= START OF LOAD BALANCING ============== 6224.63 LDB: ============== END OF LOAD BALANCING =============== 6224.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6224.63 LDB: ============= START OF LOAD BALANCING ============== 6224.92 LDB: Largest compute 4821 load 0.030326 is 25.7% of average load 0.117807 LDB: Average compute 0.001729 is 1.5% of average load 0.117807 LDB: TIME 6224.92 LOAD: AVG 0.117807 MAX 0.175334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.188 MB LDB: TIME 6224.92 LOAD: AVG 0.117807 MAX 0.175334 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: TIME 6224.92 LOAD: AVG 0.117807 MAX 0.175334 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.188 MB LDB: ============== END OF LOAD BALANCING =============== 6224.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6224.93 PRESSURE: 2144400 -42.2707 100.253 -344.938 100.252 -114.59 29.7172 -344.937 29.7184 -113.221 GPRESSURE: 2144400 -34.8122 108.701 -283.93 15.4349 -76.7257 66.6138 -326.337 25.8848 -67.7563 PRESSAVG: 2144400 7.62578 -22.4083 -33.2177 -22.4084 -40.9109 -12.2612 -33.2176 -12.2611 60.0954 GPRESSAVG: 2144400 8.08728 -22.3142 -32.1052 -21.9296 -41.0383 -14.3009 -31.5021 -10.7285 60.0203 TIMING: 2144400 CPU: 6221.75, 0.00294007/step Wall: 6221.75, 0.00294007/step, 2.33213 hours remaining, 205.414062 MB of memory in use. ENERGY: 2144400 730.8772 2087.2346 1968.7790 121.5502 -205640.5062 17532.1802 0.0000 0.0000 34509.0011 -148690.8839 301.3757 -183199.8850 -148592.2394 299.8429 -90.0274 -59.7647 559874.0163 8.9368 9.0231 PRESSURE: 2144600 54.5581 -69.9696 -48.3464 -69.9687 241.843 -176.454 -48.3464 -176.453 90.2758 GPRESSURE: 2144600 92.3971 -59.8782 -90.693 -84.685 251.915 -211.926 -139.121 -146.611 137.629 PRESSAVG: 2144600 4.77158 2.43095 -42.5662 2.43098 -31.2649 4.14084 -42.5661 4.14074 -41.5665 GPRESSAVG: 2144600 3.66766 4.1405 -44.6682 -0.145871 -30.7462 5.36901 -44.1461 1.80897 -40.6259 TIMING: 2144600 CPU: 6222.33, 0.00289466/step Wall: 6222.33, 0.00289466/step, 2.29595 hours remaining, 205.617188 MB of memory in use. ENERGY: 2144600 750.2998 2081.0120 1970.5375 108.2318 -206138.2342 18010.4180 0.0000 0.0000 34619.0728 -148598.6623 302.3370 -183217.7351 -148503.2174 300.0948 128.8923 160.6469 559187.3520 -22.6866 -22.5681 PRESSURE: 2144800 -0.039141 79.4143 21.2427 79.4146 19.7116 54.475 21.2434 54.474 97.1958 GPRESSURE: 2144800 66.3489 97.6094 70.3791 134.123 27.9863 98.4319 95.0474 76.5508 117.907 PRESSAVG: 2144800 28.676 -5.13794 -15.6841 -5.13804 -4.54922 -3.21703 -15.6841 -3.21707 23.5399 GPRESSAVG: 2144800 29.4301 -5.68107 -14.2236 -2.88671 -5.6195 -4.71756 -14.463 -2.19379 23.3805 TIMING: 2144800 CPU: 6222.92, 0.00293072/step Wall: 6222.92, 0.00293072/step, 2.32439 hours remaining, 205.617188 MB of memory in use. ENERGY: 2144800 758.2083 2121.4126 1991.7517 112.3756 -205760.8232 17674.1404 0.0000 0.0000 34532.0657 -148570.8688 301.5771 -183102.9345 -148475.0971 300.9086 38.9561 70.7475 558463.2104 15.8889 15.7304 PRESSURE: 2145000 -91.3691 49.5658 -166.944 49.5652 -147.903 154.936 -166.943 154.937 -165.652 GPRESSURE: 2145000 -62.8169 38.1945 -195.879 47.4384 -129.488 132.062 -102.173 153.478 -105.227 PRESSAVG: 2145000 19.3841 0.886236 -42.383 0.88622 74.2507 52.8764 -42.3831 52.8763 -71.3087 GPRESSAVG: 2145000 19.2008 0.250079 -43.5474 1.46969 74.3786 54.0791 -42.7271 51.162 -71.0808 TIMING: 2145000 CPU: 6223.51, 0.00294332/step Wall: 6223.51, 0.00294332/step, 2.33422 hours remaining, 205.617188 MB of memory in use. ENERGY: 2145000 763.1235 2083.1047 1954.3791 127.0134 -205164.1897 17399.8817 0.0000 0.0000 34248.5983 -148588.0890 299.1015 -182836.6873 -148495.7922 300.2620 -134.9748 -99.1774 559056.0432 7.4420 7.4995 PRESSURE: 2145200 -143.057 -86.8617 11.8802 -86.8616 -92.3252 142.863 11.8794 142.865 -296.339 GPRESSURE: 2145200 -53.0969 -120.002 56.1047 -31.4938 -97.6365 154.125 -33.2252 161.436 -278.643 PRESSAVG: 2145200 -16.2447 31.4537 19.6592 31.4537 60.2296 66.1665 19.6592 66.1665 -2.27456 GPRESSAVG: 2145200 -15.5774 31.158 20.682 28.1984 60.5559 64.2496 17.9395 67.916 -2.69688 TIMING: 2145200 CPU: 6224.09, 0.00291741/step Wall: 6224.09, 0.00291741/step, 2.3135 hours remaining, 205.617188 MB of memory in use. ENERGY: 2145200 734.9759 2072.1858 1967.7435 113.2690 -205561.4314 17578.1267 0.0000 0.0000 34370.5778 -148724.5528 300.1668 -183095.1306 -148626.9984 300.5444 -177.2403 -143.1253 560973.0826 13.9034 14.0939 PRESSURE: 2145400 -171.557 80.6557 -88.7154 80.6568 -184.886 -88.0111 -88.7143 -88.01 -199.447 GPRESSURE: 2145400 -171.396 73.006 -112.189 18.5037 -94.555 -41.8602 -121.768 -109.957 -179.477 PRESSAVG: 2145400 -33.7041 -15.5961 23.8245 -15.5961 63.2834 48.6221 23.8247 48.6222 -27.7554 GPRESSAVG: 2145400 -34.9151 -16.9026 24.5142 -13.5954 64.712 50.7759 24.2093 46.1835 -27.9029 TIMING: 2145400 CPU: 6224.67, 0.0028941/step Wall: 6224.67, 0.0028941/step, 2.29486 hours remaining, 205.617188 MB of memory in use. ENERGY: 2145400 736.9045 2068.2684 1990.6834 116.8489 -205782.0997 17530.6748 0.0000 0.0000 34408.5211 -148930.1985 300.4982 -183338.7196 -148828.2955 300.0640 -185.2966 -148.4759 558882.6011 0.6080 0.6314 PRESSURE: 2145600 201.749 -34.7236 87.8183 -34.7225 189.077 50.8505 87.8183 50.8512 -301.829 GPRESSURE: 2145600 229.943 -4.79096 103.342 -76.2718 187.448 82.665 158.23 28.0331 -229.242 PRESSAVG: 2145600 -59.8685 51.6595 -15.4997 51.6596 86.0137 26.2063 -15.4997 26.2063 -30.6032 GPRESSAVG: 2145600 -58.9155 52.7454 -15.2942 52.5911 85.1126 25.0501 -14.909 27.5544 -30.8143 TIMING: 2145600 CPU: 6225.25, 0.00289819/step Wall: 6225.25, 0.00289819/step, 2.29794 hours remaining, 205.617188 MB of memory in use. ENERGY: 2145600 677.2310 2102.6609 1998.9133 106.0552 -205881.3625 17895.6454 0.0000 0.0000 34212.5378 -148888.3190 298.7866 -183100.8568 -148790.1364 299.5677 29.6656 62.7164 560218.6828 -1.4860 -1.5391 PRESSURE: 2145800 91.4128 -33.5822 7.61626 -33.5809 86.329 65.7203 7.61598 65.7203 -165.642 GPRESSURE: 2145800 92.2806 5.46475 73.6085 -1.08692 95.985 41.3286 31.6788 56.9654 -74.039 PRESSAVG: 2145800 26.6741 12.1473 4.63922 12.1473 6.91076 19.41 4.63923 19.41 -2.30906 GPRESSAVG: 2145800 26.2852 11.2411 4.74412 13.0472 5.89625 18.9733 4.38438 20.3667 -1.87082 TIMING: 2145800 CPU: 6225.82, 0.00287995/step Wall: 6225.82, 0.00287995/step, 2.28332 hours remaining, 205.617188 MB of memory in use. ENERGY: 2145800 734.0885 2161.6251 1972.5755 109.4017 -205957.4234 17760.1167 0.0000 0.0000 34412.2153 -148807.4006 300.5304 -183219.6159 -148712.7500 300.3130 4.0334 38.0756 557803.7326 10.4253 10.1035 PRESSURE: 2146000 -182.291 -27.7713 -51.8877 -27.7725 -210.494 -70.5992 -51.888 -70.599 -162.703 GPRESSURE: 2146000 -77.8547 -46.4505 -36.3885 -168.083 -170.543 -92.8239 -105.572 -123.303 -215.35 PRESSAVG: 2146000 9.21906 2.52979 39.124 2.52973 73.4394 -13.409 39.124 -13.409 -90.0199 GPRESSAVG: 2146000 9.3159 2.48506 38.6818 -0.162888 73.7852 -12.9829 39.7177 -13.2348 -90.5355 TIMING: 2146000 CPU: 6226.4, 0.00288601/step Wall: 6226.4, 0.00288601/step, 2.28796 hours remaining, 205.617188 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: 2146000 748.4230 2129.2984 1983.2551 125.6303 -205608.4602 17480.9075 0.0000 0.0000 34300.9486 -148839.9973 299.5587 -183140.9459 -148739.8037 300.4368 -185.1626 -154.5825 559884.3124 -2.4538 -2.4781 PRESSURE: 2146200 -153.88 138.776 3.94627 138.775 -83.7207 136.317 3.94616 136.317 -308.735 GPRESSURE: 2146200 -97.6595 193.604 38.9906 117.976 -44.5434 180.937 108.957 89.3348 -303.528 PRESSAVG: 2146200 -33.3349 28.1075 20.493 28.1075 13.3661 31.7442 20.4929 31.7441 -7.54725 GPRESSAVG: 2146200 -33.5506 28.9152 20.053 29.9363 12.4493 32.2568 19.8926 30.1964 -6.61608 TIMING: 2146200 CPU: 6226.98, 0.0028932/step Wall: 6226.98, 0.0028932/step, 2.2935 hours remaining, 205.617188 MB of memory in use. ENERGY: 2146200 748.7363 2118.0244 1981.0780 109.5194 -205773.7126 17525.1304 0.0000 0.0000 34658.5084 -148632.7157 302.6814 -183291.2241 -148535.4876 301.3445 -182.1118 -148.5769 558929.7768 -9.1720 -9.2391 PRESSURE: 2146400 -404.498 77.3775 70.137 77.3769 -238.575 79.1926 70.1362 79.1912 -154.233 GPRESSURE: 2146400 -351.479 90.1124 37.7625 98.7419 -225.624 22.8242 24.3658 53.1496 -116.115 PRESSAVG: 2146400 -34.7068 45.3038 -21.0925 45.3037 33.2677 56.8307 -21.0926 56.8307 5.08929 GPRESSAVG: 2146400 -34.3244 47.232 -20.4898 45.5644 33.4771 55.556 -20.0694 58.5315 4.57484 TIMING: 2146400 CPU: 6227.56, 0.0028909/step Wall: 6227.56, 0.0028909/step, 2.29152 hours remaining, 205.617188 MB of memory in use. ENERGY: 2146400 753.2516 2171.8358 1964.7189 122.0428 -205266.8062 17359.2403 0.0000 0.0000 34279.3793 -148616.3374 299.3703 -182895.7167 -148516.8460 300.8970 -265.7686 -231.0726 559466.9449 1.2167 1.2425 PRESSURE: 2146600 157.103 129.445 18.177 129.445 -15.8206 -59.3938 18.1768 -59.3923 199.077 GPRESSURE: 2146600 143.134 124.578 0.171541 115.79 51.6797 -96.2877 -17.5171 -32.9154 252.695 PRESSAVG: 2146600 2.3651 2.5347 -2.08876 2.53457 52.1285 27.7176 -2.08875 27.7175 -61.5173 GPRESSAVG: 2146600 1.84767 2.04159 -2.45863 1.57577 53.7131 29.7867 -3.09702 24.6057 -62.5789 TIMING: 2146600 CPU: 6228.14, 0.00289105/step Wall: 6228.14, 0.00289105/step, 2.29148 hours remaining, 205.617188 MB of memory in use. ENERGY: 2146600 688.5996 2046.3014 1970.6038 97.8921 -205646.5453 17770.2075 0.0000 0.0000 34508.0692 -148564.8716 301.3676 -183072.9409 -148463.2216 300.6110 113.4531 149.1697 558356.3400 -2.3413 -2.3394 PRESSURE: 2146800 -125.218 -209.948 -36.6533 -209.949 -226.17 -34.8213 -36.6536 -34.82 70.5098 GPRESSURE: 2146800 -149.96 -330.383 5.30319 -222.379 -118.579 22.9098 -67.7688 -81.3025 102.488 PRESSAVG: 2146800 -4.44557 3.3598 15.227 3.35983 -5.19595 -19.4911 15.2272 -19.4912 -11.755 GPRESSAVG: 2146800 -6.00078 3.57207 14.8117 2.80033 -5.0889 -21.3122 15.6648 -16.2689 -10.6174 TIMING: 2146800 CPU: 6228.72, 0.00289802/step Wall: 6228.72, 0.00289802/step, 2.29684 hours remaining, 205.617188 MB of memory in use. ENERGY: 2146800 746.2006 2107.7354 1975.3456 108.0563 -205474.4054 17585.2035 0.0000 0.0000 34255.8742 -148695.9898 299.1651 -182951.8640 -148602.5328 300.8310 -93.6260 -55.3505 558743.3361 -7.1322 -7.2357 PRESSURE: 2147000 -144.814 -50.6974 109.73 -50.6978 123.493 -39.2723 109.73 -39.2731 73.4969 GPRESSURE: 2147000 -131.715 10.8932 129.645 -78.9477 140.58 49.6806 69.8986 14.7243 134.761 PRESSAVG: 2147000 47.7705 -1.01739 -22.4101 -1.01736 14.5618 26.6718 -22.4101 26.6718 -74.0944 GPRESSAVG: 2147000 48.7056 -1.45978 -23.4363 -0.376449 13.662 25.4806 -22.5659 28.276 -74.349 TIMING: 2147000 CPU: 6229.29, 0.00287361/step Wall: 6229.29, 0.00287361/step, 2.27734 hours remaining, 205.617188 MB of memory in use. ENERGY: 2147000 734.6375 2092.0172 1979.1752 121.5246 -205865.3880 17846.3293 0.0000 0.0000 34459.0699 -148632.6343 300.9396 -183091.7042 -148534.6078 300.9781 17.3920 47.8750 557218.3563 -3.9207 -3.9938 PRESSURE: 2147200 5.18028 103.595 -131.201 103.596 21.9874 88.6324 -131.2 88.6346 -322.139 GPRESSURE: 2147200 26.9082 -3.65914 -47.9957 89.8835 48.5799 60.075 -177.403 10.1627 -266.628 PRESSAVG: 2147200 -83.0662 25.5867 41.59 25.5867 48.1963 -4.32055 41.5901 -4.32059 29.5452 GPRESSAVG: 2147200 -81.8103 24.7143 43.2443 26.4364 48.1061 -1.37309 41.8516 -8.64403 28.3036 TIMING: 2147200 CPU: 6229.87, 0.00288098/step Wall: 6229.87, 0.00288098/step, 2.28302 hours remaining, 205.617188 MB of memory in use. ENERGY: 2147200 725.1097 2105.3286 1953.2748 121.4339 -205486.2157 17607.9871 0.0000 0.0000 34337.7608 -148635.3209 299.8802 -182973.0817 -148542.2546 300.3629 -98.3238 -63.7131 558767.9207 -1.7749 -1.8002 PRESSURE: 2147400 -235.625 -161.49 -145.667 -161.49 -259.301 -124.097 -145.666 -124.098 -49.3577 GPRESSURE: 2147400 -193.706 -156.97 -142.577 -214.84 -208.082 -186.578 -79.1725 -70.8951 -46.1292 PRESSAVG: 2147400 -10.3401 -48.9778 -18.5707 -48.9778 34.1421 -45.3821 -18.5707 -45.3821 -1.81977 GPRESSAVG: 2147400 -11.8184 -48.4102 -18.9326 -50.0786 34.233 -48.0305 -18.4842 -42.3853 -0.605236 TIMING: 2147400 CPU: 6230.44, 0.00287369/step Wall: 6230.44, 0.00287369/step, 2.27708 hours remaining, 205.617188 MB of memory in use. ENERGY: 2147400 767.9481 2101.8475 1982.3727 111.2056 -205406.0211 17538.1636 0.0000 0.0000 34232.4275 -148672.0561 298.9603 -182904.4836 -148568.7225 300.1889 -181.4278 -149.3057 559610.3300 7.3274 7.2698 PRESSURE: 2147600 83.8124 -20.6122 55.2456 -20.6128 -3.28789 15.7886 55.2468 15.7883 -83.6687 GPRESSURE: 2147600 63.4963 -55.613 48.6623 12.7607 37.6443 5.26002 49.5514 3.88261 -13.6805 PRESSAVG: 2147600 -90.1783 -49.5652 67.5541 -49.5652 -26.2 8.83269 67.5541 8.83263 92.4375 GPRESSAVG: 2147600 -89.1165 -48.5082 67.5508 -49.0306 -26.8525 10.8785 67.1308 6.19712 92.1409 TIMING: 2147600 CPU: 6231.02, 0.00291005/step Wall: 6231.02, 0.00291006/step, 2.30573 hours remaining, 205.617188 MB of memory in use. ENERGY: 2147600 766.6755 2068.7663 1971.8866 111.4660 -206140.2365 18016.8120 0.0000 0.0000 34580.5315 -148624.0986 302.0004 -183204.6301 -148528.1583 300.5694 -1.0481 29.1533 558548.1243 -7.9803 -7.9427 PRESSURE: 2147800 135.708 6.85015 73.3403 6.85033 169.334 49.1174 73.341 49.116 -132.843 GPRESSURE: 2147800 107.321 5.42281 43.8469 30.1614 185.718 155.99 88.6966 16.0656 -29.443 PRESSAVG: 2147800 66.8532 36.6379 15.6176 36.6379 -34.7927 22.3195 15.6175 22.3196 -11.8286 GPRESSAVG: 2147800 66.7513 34.1963 18.6262 37.7901 -34.36 22.372 16.9078 23.7765 -12.2462 TIMING: 2147800 CPU: 6231.6, 0.002902/step Wall: 6231.6, 0.00290199/step, 2.29919 hours remaining, 205.617188 MB of memory in use. ENERGY: 2147800 760.1952 2141.1967 1982.9657 117.2023 -205694.0536 17853.5715 0.0000 0.0000 34302.8608 -148536.0614 299.5754 -182838.9222 -148444.9575 301.1074 57.3998 87.8653 558303.3365 6.7440 6.7150 PRESSURE: 2148000 -194.174 -41.1007 -110.075 -41.1004 -23.6016 35.3143 -110.074 35.3153 93.9625 GPRESSURE: 2148000 -71.5108 -23.2616 -114.321 -29.8015 -52.2576 87.854 -150.248 -28.9681 98.1081 PRESSAVG: 2148000 -34.6282 -2.58506 6.96043 -2.58499 -37.8076 1.34215 6.96052 1.34206 96.8081 GPRESSAVG: 2148000 -34.9615 -1.24923 4.43701 -5.10275 -37.4497 0.330502 5.09748 2.57396 96.9634 TIMING: 2148000 CPU: 6232.18, 0.00287858/step Wall: 6232.18, 0.00287858/step, 2.28047 hours remaining, 205.675781 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: 2148000 760.3315 2061.7790 1976.3426 117.3367 -205562.6966 17719.0291 0.0000 0.0000 34434.7537 -148493.1240 300.7273 -182927.8777 -148395.6446 301.2826 -41.2710 -8.5535 558463.4675 8.1241 8.1841 PRESSURE: 2148200 -95.9064 -50.4233 -137.353 -50.4228 429.356 -104.15 -137.352 -104.149 15.4444 GPRESSURE: 2148200 -54.8062 12.7726 -123.523 -58.2264 416.96 -93.4844 -102.129 -77.6658 99.202 PRESSAVG: 2148200 47.549 -5.13421 10.9635 -5.13414 -54.4956 6.93615 10.9634 6.93624 58.6651 GPRESSAVG: 2148200 47.8778 -3.65146 9.98218 -5.0586 -55.8924 8.84071 11.6816 5.35551 60.6895 TIMING: 2148200 CPU: 6232.75, 0.00286256/step Wall: 6232.75, 0.00286256/step, 2.26763 hours remaining, 205.675781 MB of memory in use. ENERGY: 2148200 711.6766 2059.9854 1966.3702 114.6649 -205717.4529 17877.3312 0.0000 0.0000 34443.6147 -148543.8099 300.8047 -182987.4247 -148448.7475 301.7266 116.2979 153.7853 558117.0422 17.2395 17.5583 LDB: ============= START OF LOAD BALANCING ============== 6236.22 LDB: ============== END OF LOAD BALANCING =============== 6236.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6236.22 LDB: ============= START OF LOAD BALANCING ============== 6236.51 LDB: Largest compute 4820 load 0.029435 is 25.0% of average load 0.117697 LDB: Average compute 0.001721 is 1.5% of average load 0.117697 LDB: TIME 6236.51 LOAD: AVG 0.117697 MAX 0.1804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6236.51 LOAD: AVG 0.117697 MAX 0.1804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 6236.51 LOAD: AVG 0.117697 MAX 0.1804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6236.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6236.52 PRESSURE: 2148400 82.7591 100.961 -3.13116 100.959 15.8425 99.4256 -3.13079 99.4258 93.1196 GPRESSURE: 2148400 113.28 78.5154 -67.5862 126.848 46.8203 116.295 -30.2232 16.3357 121.673 PRESSAVG: 2148400 -30.8434 -36.8748 -78.5469 -36.8748 43.6121 -26.6772 -78.547 -26.6773 2.38253 GPRESSAVG: 2148400 -31.4623 -37.1456 -78.9566 -36.7226 45.7355 -26.7641 -77.4087 -28.1206 0.767977 TIMING: 2148400 CPU: 6233.34, 0.00294425/step Wall: 6233.34, 0.00294425/step, 2.33217 hours remaining, 208.960938 MB of memory in use. ENERGY: 2148400 756.1701 2089.0630 1951.6513 113.9179 -205663.9080 17699.6762 0.0000 0.0000 34407.6870 -148645.7426 300.4909 -183053.4296 -148545.4635 300.6553 63.9071 93.9244 556557.5184 5.0504 5.0137 PRESSURE: 2148600 -124.855 -34.523 224.415 -34.524 -263.809 56.3844 224.415 56.3839 -73.3447 GPRESSURE: 2148600 -60.3886 -41.06 200.286 72.8617 -218.859 64.9191 243.523 35.2841 -87.6957 PRESSAVG: 2148600 -13.5895 -32.223 -36.0466 -32.223 33.3365 -4.65125 -36.0467 -4.65115 -1.2469 GPRESSAVG: 2148600 -13.4324 -31.5503 -33.9966 -31.4694 34.1918 -5.9406 -37.365 -3.04748 -1.7091 TIMING: 2148600 CPU: 6233.92, 0.00288751/step Wall: 6233.92, 0.00288751/step, 2.28707 hours remaining, 209.269531 MB of memory in use. ENERGY: 2148600 779.6063 2110.1747 1931.7084 109.3952 -205498.5055 17701.2719 0.0000 0.0000 34409.0765 -148457.2726 300.5030 -182866.3491 -148352.0389 300.8617 -154.0029 -122.3144 558775.5309 6.1667 6.3501 PRESSURE: 2148800 -107.938 -193.747 76.4085 -193.746 -61.3681 -33.9801 76.4096 -33.9802 -49.6247 GPRESSURE: 2148800 -14.6117 -140.274 36.2284 -219.394 -27.4223 6.93292 31.7291 57.3563 -72.1729 PRESSAVG: 2148800 -35.8157 14.8661 -5.99261 14.8661 21.2744 19.5916 -5.99272 19.5916 18.2509 GPRESSAVG: 2148800 -34.399 13.1304 -5.64762 14.2237 20.3383 20.4663 -6.34701 19.2207 18.2664 TIMING: 2148800 CPU: 6234.49, 0.00287996/step Wall: 6234.49, 0.00287996/step, 2.28093 hours remaining, 209.269531 MB of memory in use. ENERGY: 2148800 748.6378 2112.1618 1953.3596 116.2762 -205637.6220 17717.6729 0.0000 0.0000 34151.2728 -148838.2409 298.2516 -182989.5138 -148744.5018 300.2361 -72.9771 -38.0690 559032.6833 1.2365 1.4019 PRESSURE: 2149000 346.789 -28.9388 23.2719 -28.9394 67.4768 -188.843 23.271 -188.843 284.718 GPRESSURE: 2149000 338.203 -5.38784 95.5173 -35.3333 120.424 -180.24 -25.24 -161.598 343.135 PRESSAVG: 2149000 26.1096 -27.3965 32.4792 -27.3965 24.8785 76.5092 32.4791 76.5093 -6.19349 GPRESSAVG: 2149000 25.9425 -27.8613 31.3156 -27.0939 24.7416 76.8737 34.2852 75.4642 -5.46451 TIMING: 2149000 CPU: 6235.07, 0.002885/step Wall: 6235.07, 0.002885/step, 2.28476 hours remaining, 209.269531 MB of memory in use. ENERGY: 2149000 728.6571 2099.9611 1979.3665 113.6118 -206089.0857 18139.5539 0.0000 0.0000 34208.1432 -148819.7921 298.7482 -183027.9353 -148722.6044 300.4821 232.9946 267.2542 559156.4521 14.9315 15.0732 PRESSURE: 2149200 103.85 -17.0409 50.0653 -17.0411 -55.9594 48.2594 50.0632 48.2593 -354.5 GPRESSURE: 2149200 209.747 -102.86 74.9006 87.6712 -72.7438 98.1355 44.3338 34.4242 -344.278 PRESSAVG: 2149200 -5.56422 -45.5719 26.6776 -45.572 -19.8733 27.1839 26.6777 27.1839 17.1309 GPRESSAVG: 2149200 -6.20469 -45.3751 26.2541 -46.5453 -19.5143 26.7071 23.6825 27.4615 16.81 TIMING: 2149200 CPU: 6235.65, 0.00288145/step Wall: 6235.65, 0.00288145/step, 2.28178 hours remaining, 209.269531 MB of memory in use. ENERGY: 2149200 780.0373 2109.5902 1962.7724 107.1670 -206060.3845 17975.2219 0.0000 0.0000 34323.9098 -148801.6859 299.7592 -183125.5957 -148708.1326 299.6627 -102.2032 -69.0915 558564.3983 -2.7689 -2.9696 PRESSURE: 2149400 73.2854 230.111 189.13 230.112 60.0574 122.606 189.129 122.607 -155.79 GPRESSURE: 2149400 67.5622 195.962 185.303 192.207 115.585 140.536 210.544 160.371 -119.216 PRESSAVG: 2149400 20.323 4.43007 55.2603 4.43008 50.2768 17.828 55.2602 17.8281 -75.8821 GPRESSAVG: 2149400 20.9151 4.00008 54.1917 6.00602 49.2252 16.1371 57.0848 19.2664 -75.1849 TIMING: 2149400 CPU: 6236.22, 0.00288513/step Wall: 6236.22, 0.00288513/step, 2.28454 hours remaining, 209.269531 MB of memory in use. ENERGY: 2149400 736.5627 2174.5751 1946.3945 105.4148 -205799.6104 17766.6228 0.0000 0.0000 34387.9443 -148682.0963 300.3185 -183070.0406 -148586.1435 300.1572 -7.4824 21.3105 556799.0629 -1.7608 -1.6815 PRESSURE: 2149600 -337.027 -56.609 92.5157 -56.6094 -181.325 36.3853 92.5154 36.3846 -393.198 GPRESSURE: 2149600 -295.463 -113.382 57.8529 9.41204 -151.499 40.4696 124.811 -30.3883 -363.989 PRESSAVG: 2149600 -23.2347 66.5502 64.8227 66.5502 53.9974 43.0494 64.8227 43.0493 -16.4854 GPRESSAVG: 2149600 -23.2115 67.5114 66.4836 65.6476 54.2216 42.4405 63.5597 42.9725 -16.5442 TIMING: 2149600 CPU: 6236.8, 0.00287497/step Wall: 6236.8, 0.00287497/step, 2.27634 hours remaining, 209.269531 MB of memory in use. ENERGY: 2149600 718.7087 2114.9416 1962.2045 102.5705 -205242.2936 17201.3730 0.0000 0.0000 34356.7363 -148785.7590 300.0459 -183142.4953 -148685.7751 300.1735 -303.8500 -270.3172 558108.9650 4.7591 4.8220 PRESSURE: 2149800 -221.808 -13.9737 -65.858 -13.9744 118.692 57.6465 -65.8583 57.646 -273.099 GPRESSURE: 2149800 -156.805 20.9931 -35.4521 -85.5289 97.2911 51.7279 -55.755 76.6972 -221.287 PRESSAVG: 2149800 -25.1835 -28.5695 7.14738 -28.5695 57.9952 11.7359 7.1473 11.7358 -53.9329 GPRESSAVG: 2149800 -24.9572 -28.9113 5.06028 -29.2292 58.5655 11.9544 9.13776 12.557 -55.089 TIMING: 2149800 CPU: 6237.38, 0.00290733/step Wall: 6237.38, 0.00290733/step, 2.3018 hours remaining, 209.269531 MB of memory in use. ENERGY: 2149800 786.6649 2105.4937 1982.3786 119.8801 -205792.7523 17595.5021 0.0000 0.0000 34433.2087 -148769.6242 300.7138 -183202.8329 -148684.5410 300.4477 -125.4050 -93.6002 559120.6814 -7.0404 -7.1602 PRESSURE: 2150000 -271.935 -0.341759 -72.5576 -0.34169 -65.6678 85.0864 -72.5575 85.0878 -79.5714 GPRESSURE: 2150000 -252.64 44.5153 0.841228 -62.5212 -13.6134 93.6508 -83.5726 32.9298 -45.6598 PRESSAVG: 2150000 -38.5195 -40.3719 61.4459 -40.3718 27.7972 51.5849 61.4459 51.5848 -20.6012 GPRESSAVG: 2150000 -39.9914 -40.3849 63.0764 -38.1726 27.6785 52.4485 59.6014 50.3224 -19.4494 TIMING: 2150000 CPU: 6237.96, 0.00290342/step Wall: 6237.96, 0.00290342/step, 2.29854 hours remaining, 209.269531 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: 2150000 750.9315 2101.4675 1979.4410 115.5066 -205871.9189 17677.5547 0.0000 0.0000 34282.9286 -148964.0889 299.4013 -183247.0175 -148865.4577 300.0092 -139.0581 -103.9710 559955.2052 -10.4412 -10.5875 PRESSURE: 2150200 5.01411 100.498 -22.9315 100.499 143.692 -86.5528 -22.9319 -86.5551 231.93 GPRESSURE: 2150200 35.952 55.5147 -96.9183 42.0962 209.598 -114.491 -43.7583 -35.3703 228.883 PRESSAVG: 2150200 -3.98025 22.0894 25.6517 22.0895 -32.0543 15.6002 25.6517 15.6001 42.3944 GPRESSAVG: 2150200 -3.16958 20.9785 24.7884 22.3594 -32.896 14.4026 26.8244 17.8212 42.1026 TIMING: 2150200 CPU: 6238.54, 0.00289087/step Wall: 6238.54, 0.00289087/step, 2.28845 hours remaining, 209.269531 MB of memory in use. ENERGY: 2150200 730.1416 2129.2503 1994.4906 119.1975 -206144.5544 17862.5018 0.0000 0.0000 34378.5972 -148930.3753 300.2368 -183308.9725 -148834.6534 299.6312 126.8787 158.1444 557837.5887 2.1199 2.0124 PRESSURE: 2150400 -36.0214 5.9873 2.48942 5.98712 -58.0399 -46.9846 2.48982 -46.9851 -16.1059 GPRESSURE: 2150400 -8.64758 8.61948 6.75693 -48.799 -28.8538 -37.9157 -46.7347 -23.531 24.0193 PRESSAVG: 2150400 5.87839 -41.4242 9.81728 -41.4242 -5.91552 6.30266 9.81733 6.30272 17.1392 GPRESSAVG: 2150400 5.24528 -40.6926 10.4455 -42.3623 -4.57301 6.3134 8.55663 5.08329 17.2257 TIMING: 2150400 CPU: 6239.12, 0.0029061/step Wall: 6239.12, 0.0029061/step, 2.30034 hours remaining, 209.269531 MB of memory in use. ENERGY: 2150400 783.3891 2125.0053 1964.4517 112.2049 -206149.6241 17830.6256 0.0000 0.0000 34215.4654 -149118.4820 298.8122 -183333.9474 -149026.9546 299.7985 -36.7224 -4.4940 558322.2119 5.7007 5.9660 PRESSURE: 2150600 21.8096 35.8277 -141.434 35.8291 -29.7864 81.2113 -141.432 81.2121 275.513 GPRESSURE: 2150600 93.9343 80.6389 -190.422 9.33986 -27.0728 48.2452 -116.806 32.2108 298.401 PRESSAVG: 2150600 -11.6401 -45.7707 7.78981 -45.7707 -35.7838 -32.945 7.78982 -32.945 33.9727 GPRESSAVG: 2150600 -12.1249 -45.394 7.68647 -46.1713 -36.3883 -32.2502 8.56676 -33.3767 34.784 TIMING: 2150600 CPU: 6239.7, 0.00289897/step Wall: 6239.7, 0.00289897/step, 2.29453 hours remaining, 209.269531 MB of memory in use. ENERGY: 2150600 716.1396 2072.6927 1985.2402 116.5852 -206261.0422 17969.4662 0.0000 0.0000 34243.9307 -149156.9875 299.0608 -183400.9182 -149060.0999 298.8864 89.1786 121.7542 558370.4233 -4.4837 -4.5764 PRESSURE: 2150800 100.416 -97.8473 112.742 -97.8472 -11.7344 -19.5552 112.743 -19.5556 117.442 GPRESSURE: 2150800 113.162 -28.575 121.452 -142.159 53.8228 -31.1596 71.8271 -15.655 134.261 PRESSAVG: 2150800 25.6853 -54.0633 -16.8961 -54.0633 -63.6141 -11.2813 -16.8961 -11.2813 -18.3013 GPRESSAVG: 2150800 28.0506 -55.255 -18.5962 -54.2141 -64.1915 -12.8776 -16.5568 -12.4902 -19.9388 TIMING: 2150800 CPU: 6240.28, 0.00289617/step Wall: 6240.28, 0.00289617/step, 2.29216 hours remaining, 209.269531 MB of memory in use. ENERGY: 2150800 722.8527 2019.2591 1961.1097 115.5779 -206507.9608 18204.7514 0.0000 0.0000 34273.1003 -149211.3097 299.3155 -183484.4100 -149114.2746 298.4365 68.7077 100.4153 558106.6057 -18.7433 -18.6932 PRESSURE: 2151000 -63.0364 -16.6534 59.9298 -16.6535 -215.479 -152.384 59.9287 -152.383 -201.934 GPRESSURE: 2151000 30.8467 4.95543 4.34257 -23.3436 -203.049 -117.045 164.176 -124.678 -205.919 PRESSAVG: 2151000 37.3297 -7.07951 35.9916 -7.0795 -69.5557 -13.0474 35.9917 -13.0473 38.5801 GPRESSAVG: 2151000 35.079 -7.19571 37.1134 -5.34796 -68.7626 -12.314 35.8685 -11.721 40.5985 TIMING: 2151000 CPU: 6240.86, 0.00288722/step Wall: 6240.86, 0.00288722/step, 2.28492 hours remaining, 209.269531 MB of memory in use. ENERGY: 2151000 732.7270 2033.5697 1958.9995 112.4220 -205665.4809 17494.7345 0.0000 0.0000 34115.2381 -149217.7901 297.9369 -183333.0282 -149121.7688 298.3670 -160.1499 -126.0401 557511.5970 2.1180 2.3050 PRESSURE: 2151200 150.76 -110.19 200.167 -110.19 139.201 -161.739 200.167 -161.739 109.959 GPRESSURE: 2151200 163.494 -99.8221 210.57 -129.691 180.066 -140.691 232.779 -161.367 153.529 PRESSAVG: 2151200 11.9838 -11.8013 -21.2584 -11.8014 -14.9018 69.49 -21.2584 69.4899 11.1085 GPRESSAVG: 2151200 12.6163 -11.0119 -19.397 -13.1447 -14.7437 69.2776 -21.2082 69.1546 10.3695 TIMING: 2151200 CPU: 6241.43, 0.00287041/step Wall: 6241.43, 0.00287041/step, 2.27145 hours remaining, 209.269531 MB of memory in use. ENERGY: 2151200 720.6201 2065.4344 1973.9158 117.9327 -206270.4432 17972.4215 0.0000 0.0000 34084.2888 -149335.8298 297.6666 -183420.1186 -149236.9212 298.8615 133.3066 165.6962 556207.5530 2.7302 2.7474 PRESSURE: 2151400 -417.643 -106.64 -39.1733 -106.639 -430.664 -32.8141 -39.1716 -32.8149 -386.438 GPRESSURE: 2151400 -384.214 -174.378 -48.2195 -41.9748 -426.033 -39.4187 -66.2478 -74.8738 -323.013 PRESSAVG: 2151400 -12.3982 -22.2735 -23.6156 -22.2735 -93.857 -10.6702 -23.6156 -10.6701 65.9145 GPRESSAVG: 2151400 -11.8855 -21.5547 -25.7868 -21.8831 -93.3253 -11.2393 -23.8219 -9.75871 65.2945 TIMING: 2151400 CPU: 6242.01, 0.00286879/step Wall: 6242.01, 0.00286878/step, 2.27001 hours remaining, 209.269531 MB of memory in use. ENERGY: 2151400 755.5890 2074.4830 1971.0229 115.8268 -205562.7298 17224.4923 0.0000 0.0000 34054.5709 -149366.7448 297.4070 -183421.3157 -149265.6737 298.6828 -411.5817 -377.7534 558841.1301 -13.4469 -13.3054 PRESSURE: 2151600 -52.0459 136.249 -288.366 136.249 160.505 -19.4442 -288.367 -19.4446 124.724 GPRESSURE: 2151600 -4.22293 183.756 -322.102 107.354 224.304 -40.0138 -254.085 15.3677 96.8013 PRESSAVG: 2151600 -29.1338 19.7582 -2.83981 19.7582 35.8047 40.0907 -2.83987 40.0906 -15.3038 GPRESSAVG: 2151600 -29.0702 19.4021 -2.3825 20.3634 34.6993 40.245 -4.19468 40.7757 -14.4729 TIMING: 2151600 CPU: 6242.58, 0.00288383/step Wall: 6242.58, 0.00288383/step, 2.28175 hours remaining, 209.269531 MB of memory in use. ENERGY: 2151600 810.0765 2046.1341 1970.5556 118.5262 -206557.1521 18069.0754 0.0000 0.0000 34161.9659 -149380.8184 298.3449 -183542.7843 -149280.8581 299.1334 77.7276 105.6275 558069.9471 -2.8776 -2.9479 PRESSURE: 2151800 -159.794 -88.17 32.9004 -88.1686 -82.6986 33.7817 32.8997 33.783 17.7196 GPRESSURE: 2151800 -188.126 -27.6178 13.5593 3.24967 -6.06543 41.0363 51.4001 10.2803 71.5032 PRESSAVG: 2151800 -34.6906 -9.15782 -13.3894 -9.15785 -22.98 9.78742 -13.3894 9.78733 31.0078 GPRESSAVG: 2151800 -34.7463 -7.18891 -12.5595 -10.3829 -23.449 8.99568 -12.5547 7.17397 31.2836 TIMING: 2151800 CPU: 6243.16, 0.00287128/step Wall: 6243.16, 0.00287128/step, 2.27166 hours remaining, 209.269531 MB of memory in use. ENERGY: 2151800 717.4862 2114.2284 1944.6614 108.6389 -206363.3571 17752.6020 0.0000 0.0000 34343.2550 -149382.4851 299.9282 -183725.7401 -149294.6981 298.7129 -74.9243 -40.8961 558261.5951 -8.8876 -8.9706 PRESSURE: 2152000 -255.509 -65.9709 92.895 -65.9709 -108.22 79.7116 92.8958 79.7114 117.017 GPRESSURE: 2152000 -223.269 18.7897 59.1581 -101.456 -32.1525 49.1291 149.208 55.9938 88.5905 PRESSAVG: 2152000 -28.3096 -18.6194 -22.6014 -18.6194 48.2949 -2.12353 -22.6014 -2.12351 -15.3271 GPRESSAVG: 2152000 -29.0416 -18.0236 -24.1082 -17.8202 50.0859 -1.54644 -20.5847 -1.38451 -16.5059 TIMING: 2152000 CPU: 6243.73, 0.00286941/step Wall: 6243.73, 0.00286941/step, 2.27002 hours remaining, 209.269531 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: 2152000 775.4115 2110.3894 1956.8996 117.2516 -206100.6555 17639.1132 0.0000 0.0000 34102.9003 -149398.6900 297.8291 -183501.5903 -149304.7275 298.9140 -82.2372 -55.6104 557513.7547 1.5527 1.5128 PRESSURE: 2152200 -36.4077 20.1444 19.6076 20.1443 288.34 29.4555 19.608 29.4558 118.09 GPRESSURE: 2152200 -22.8672 49.9135 12.8182 19.7788 293.364 -36.0624 35.7681 25.2984 186.26 PRESSAVG: 2152200 -37.4128 46.4766 2.4942 46.4766 49.4597 -4.13539 2.49425 -4.13552 -5.75709 GPRESSAVG: 2152200 -37.3472 44.5436 5.57605 46.9417 48.5416 -2.84519 0.202029 -3.56625 -4.93055 TIMING: 2152200 CPU: 6244.31, 0.00287728/step Wall: 6244.31, 0.00287728/step, 2.27609 hours remaining, 209.269531 MB of memory in use. ENERGY: 2152200 719.6295 2041.0729 1944.9536 124.0702 -206187.2352 17737.2826 0.0000 0.0000 34280.4807 -149339.7457 299.3800 -183620.2264 -149239.7486 298.7000 123.3408 152.2521 556923.2700 2.0966 2.0880 LDB: ============= START OF LOAD BALANCING ============== 6247.77 LDB: ============== END OF LOAD BALANCING =============== 6247.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6247.77 LDB: ============= START OF LOAD BALANCING ============== 6248.07 LDB: Largest compute 4821 load 0.029795 is 25.3% of average load 0.117744 LDB: Average compute 0.001719 is 1.5% of average load 0.117744 LDB: TIME 6248.07 LOAD: AVG 0.117744 MAX 0.176206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6248.07 LOAD: AVG 0.117744 MAX 0.176206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: TIME 6248.07 LOAD: AVG 0.117744 MAX 0.176206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: ============== END OF LOAD BALANCING =============== 6248.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6248.07 PRESSURE: 2152400 -48.6636 126.226 76.7012 126.226 -141.391 55.8055 76.7015 55.8036 17.383 GPRESSURE: 2152400 -25.393 80.8979 168.366 236.614 -95.9004 85.0154 76.5767 13.5772 58.1405 PRESSAVG: 2152400 -50.5477 28.6398 -18.4787 28.6398 33.0942 52.9928 -18.4787 52.9928 39.1354 GPRESSAVG: 2152400 -49.9441 29.786 -19.258 28.4386 32.8868 51.802 -17.9079 53.5823 38.4134 TIMING: 2152400 CPU: 6244.9, 0.00296412/step Wall: 6244.9, 0.00296412/step, 2.34462 hours remaining, 206.253906 MB of memory in use. ENERGY: 2152400 761.5571 2081.2489 1956.8178 118.8576 -206246.2178 17681.0128 0.0000 0.0000 34327.0961 -149319.6276 299.7871 -183646.7236 -149217.3393 299.2877 -57.5572 -21.0510 557145.7224 7.2273 7.1187 PRESSURE: 2152600 -461.369 132.515 -161.992 132.516 -313.915 73.9582 -161.992 73.9586 -128.512 GPRESSURE: 2152600 -419.009 81.507 -189.356 193.338 -320.092 108.088 -179.402 -5.71177 -70.4963 PRESSAVG: 2152600 -58.3545 -11.5867 28.639 -11.5866 34.8832 21.8517 28.639 21.8516 13.4674 GPRESSAVG: 2152600 -59.3108 -13.0707 28.4889 -11.4643 36.258 23.9299 28.6243 18.7225 12.9708 TIMING: 2152600 CPU: 6245.48, 0.00289267/step Wall: 6245.48, 0.00289267/step, 2.28794 hours remaining, 206.457031 MB of memory in use. ENERGY: 2152600 749.4293 2078.8066 1989.7902 110.7898 -205569.1964 17334.7988 0.0000 0.0000 34100.5481 -149205.0337 297.8086 -183305.5818 -149107.8685 298.9050 -301.2655 -269.8657 559155.5201 -3.3346 -3.3607 PRESSURE: 2152800 -216.345 87.7286 16.93 87.7294 101.795 106.416 16.9316 106.415 49.5111 GPRESSURE: 2152800 -178.845 -15.5924 -1.51417 187.485 116.199 93.4808 29.1611 94.3848 100.891 PRESSAVG: 2152800 -35.6355 35.6388 -22.0328 35.6387 20.5333 19.982 -22.0326 19.982 65.6883 GPRESSAVG: 2152800 -36.132 35.1305 -23.6922 35.2992 21.2516 19.9244 -19.766 22.2382 65.5152 TIMING: 2152800 CPU: 6246.05, 0.00288432/step Wall: 6246.05, 0.00288432/step, 2.28118 hours remaining, 206.457031 MB of memory in use. ENERGY: 2152800 734.8571 2135.8672 1961.4008 106.3855 -206354.5773 17785.7053 0.0000 0.0000 34289.0613 -149341.3000 299.4549 -183630.3613 -149245.8405 299.1828 -21.6799 12.7483 556283.5074 16.8620 16.8783 PRESSURE: 2153000 -58.3857 -64.7481 -105.622 -64.7482 77.8207 -60.1829 -105.622 -60.1824 53.7378 GPRESSURE: 2153000 -55.1634 -18.0114 -108.995 -82.5286 50.8564 58.0384 -121.141 -58.4472 170.805 PRESSAVG: 2153000 7.2751 -27.3744 7.68634 -27.3743 22.741 54.6923 7.68622 54.6922 -59.4702 GPRESSAVG: 2153000 9.18862 -27.9827 8.45275 -27.1125 21.1792 53.0762 5.06291 56.613 -59.891 TIMING: 2153000 CPU: 6246.63, 0.00290213/step Wall: 6246.63, 0.00290213/step, 2.2951 hours remaining, 206.457031 MB of memory in use. ENERGY: 2153000 732.6633 2036.4989 1960.2529 112.1039 -206183.6596 17803.9928 0.0000 0.0000 34241.6254 -149296.5225 299.0406 -183538.1479 -149202.1249 298.6352 24.3909 55.4993 557728.2614 -9.8180 -9.8411 PRESSURE: 2153200 -54.8355 -20.4166 28.5623 -20.4175 69.8797 -73.5187 28.5632 -73.5195 -171.052 GPRESSURE: 2153200 -4.56878 -33.8946 16.9332 32.0784 117.196 -139.019 79.5847 -10.992 -172.995 PRESSAVG: 2153200 21.2837 -25.251 23.3448 -25.251 40.0565 -2.68299 23.3448 -2.68301 -69.432 GPRESSAVG: 2153200 20.0163 -24.1623 20.6744 -25.0151 40.0052 -2.00387 25.3735 -2.76692 -68.5006 TIMING: 2153200 CPU: 6247.21, 0.00289635/step Wall: 6247.21, 0.00289635/step, 2.29037 hours remaining, 206.457031 MB of memory in use. ENERGY: 2153200 722.0913 2102.5430 1965.6161 114.4119 -206146.7847 17665.6191 0.0000 0.0000 34308.8601 -149267.6431 299.6278 -183576.5032 -149172.7002 298.4588 -52.0025 -20.1226 557222.6079 -2.6973 -2.8264 PRESSURE: 2153400 -71.9229 56.4027 -95.2878 56.4031 -323.963 -61.0631 -95.2882 -61.0629 -624.904 GPRESSURE: 2153400 -19.046 49.8408 -102.311 45.4211 -290.822 -12.8605 -97.9931 -37.8966 -608.611 PRESSAVG: 2153400 8.33695 5.14502 -44.5041 5.14501 83.9574 -42.2927 -44.5043 -42.2927 -36.1729 GPRESSAVG: 2153400 7.91762 4.70547 -41.7802 5.67073 84.1234 -42.1963 -45.1035 -44.5025 -35.6906 TIMING: 2153400 CPU: 6247.79, 0.00289284/step Wall: 6247.79, 0.00289284/step, 2.28744 hours remaining, 206.457031 MB of memory in use. ENERGY: 2153400 763.0151 2058.5851 1961.0202 114.8766 -205463.5890 17239.8557 0.0000 0.0000 34096.3894 -149229.8467 297.7722 -183326.2362 -149134.2543 298.6813 -340.2633 -306.1598 557124.7777 18.7071 18.7835 PRESSURE: 2153600 106.526 -135.321 20.3739 -135.322 -279.792 18.6954 20.3741 18.694 -217.89 GPRESSURE: 2153600 101.43 -108.591 28.1323 -51.0941 -215.461 80.076 -5.41381 -14.3304 -171.306 PRESSAVG: 2153600 49.5251 -36.4162 -4.45764 -36.4162 55.2181 14.7835 -4.45765 14.7836 -60.0683 GPRESSAVG: 2153600 49.6304 -35.2159 -3.92008 -36.7622 55.1049 17.2541 -5.48599 14.2954 -59.5436 TIMING: 2153600 CPU: 6248.38, 0.00292191/step Wall: 6248.38, 0.00292191/step, 2.31025 hours remaining, 206.457031 MB of memory in use. ENERGY: 2153600 691.1481 2072.9781 1990.8495 125.5867 -205692.1109 17402.1966 0.0000 0.0000 34129.2585 -149280.0933 298.0593 -183409.3518 -149182.3731 298.8831 -130.3857 -95.1123 557798.9984 14.8916 15.0639 PRESSURE: 2153800 -238.003 -25.1817 -148.467 -25.1803 -191.643 57.1659 -148.469 57.1651 -103.205 GPRESSURE: 2153800 -248.545 44.8615 -98.2805 -63.7606 -151.332 95.0797 -166.097 -60.8143 -36.9965 PRESSAVG: 2153800 27.6037 -31.4923 10.6373 -31.4923 -63.6202 83.8258 10.6373 83.8257 -21.949 GPRESSAVG: 2153800 28.2517 -32.7507 10.2246 -30.2196 -63.6248 82.0503 10.8367 86.2881 -22.5358 TIMING: 2153800 CPU: 6248.97, 0.0029431/step Wall: 6248.97, 0.0029431/step, 2.32685 hours remaining, 206.457031 MB of memory in use. ENERGY: 2153800 788.5636 2041.4371 1984.7529 113.8099 -206121.7186 17700.9859 0.0000 0.0000 34267.9419 -149224.2271 299.2705 -183492.1690 -149124.9672 298.9021 -177.6171 -145.6245 557259.5347 -19.3218 -19.3030 PRESSURE: 2154000 -115.362 -162.559 -32.3922 -162.558 -179.792 25.5498 -32.3914 25.5478 -22.1682 GPRESSURE: 2154000 -103.949 -151.609 -48.0308 -140.113 -157.449 51.3167 -24.3715 -25.1745 42.534 PRESSAVG: 2154000 -38.6789 3.81941 -11.5027 3.81955 70.0097 -6.55809 -11.5027 -6.55825 -33.4698 GPRESSAVG: 2154000 -39.5028 5.20789 -10.0356 2.49698 69.8738 -7.5149 -12.0758 -7.94011 -32.6366 TIMING: 2154000 CPU: 6249.55, 0.00291252/step Wall: 6249.55, 0.00291252/step, 2.30251 hours remaining, 206.457031 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: 2154000 765.3908 2095.2119 1974.1700 109.2188 -205965.5660 17672.0517 0.0000 0.0000 34103.1558 -149246.3671 297.8313 -183349.5229 -149145.6689 299.4313 -105.7742 -72.9548 557327.7623 -0.7130 -0.7552 PRESSURE: 2154200 -28.7981 -61.356 77.1464 -61.3557 -73.2937 76.074 77.1455 76.0734 -256.8 GPRESSURE: 2154200 -15.4632 -129.819 98.7756 -53.6142 -16.3732 65.0105 101.228 84.195 -227.074 PRESSAVG: 2154200 -36.8457 -4.65894 -4.56126 -4.65895 42.6054 30.2373 -4.56134 30.2373 -3.0179 GPRESSAVG: 2154200 -36.1718 -3.68301 -5.86734 -5.18777 42.9227 30.4217 -4.22498 29.2447 -4.0121 TIMING: 2154200 CPU: 6250.13, 0.00291376/step Wall: 6250.13, 0.00291376/step, 2.30332 hours remaining, 206.457031 MB of memory in use. ENERGY: 2154200 751.5061 2084.1031 1973.1279 108.4551 -206098.6681 17723.9329 0.0000 0.0000 34353.3145 -149104.2285 300.0160 -183457.5430 -149014.8167 298.9653 -119.6304 -86.3034 558338.0679 0.9139 0.9129 PRESSURE: 2154400 102.87 -12.6995 105.61 -12.6985 -339.388 65.9157 105.611 65.9148 43.9905 GPRESSURE: 2154400 70.8717 -137.437 110.364 -12.0328 -240.735 81.1479 76.8981 12.7802 64.4039 PRESSAVG: 2154400 42.1076 -62.199 22.2626 -62.1991 -8.05824 51.7951 22.2625 51.7951 -70.4396 GPRESSAVG: 2154400 41.2396 -65.1463 21.5002 -61.6162 -8.36785 49.5419 23.5217 51.9931 -70.0134 TIMING: 2154400 CPU: 6250.71, 0.00291022/step Wall: 6250.71, 0.00291022/step, 2.30037 hours remaining, 206.457031 MB of memory in use. ENERGY: 2154400 742.6650 2075.5549 1968.2276 122.8043 -206273.6050 17918.7925 0.0000 0.0000 34312.2398 -149133.3209 299.6573 -183445.5608 -149035.0988 299.9934 -64.1757 -35.1531 557129.5655 -12.1301 -12.3806 PRESSURE: 2154600 37.0971 96.5501 -82.8527 96.5492 103.752 269.968 -82.8518 269.968 -202.275 GPRESSURE: 2154600 78.8221 2.99832 -131.158 140.091 94.3156 243.105 -18.1364 340.477 -149.473 PRESSAVG: 2154600 23.8571 -7.67269 -8.32979 -7.67275 -18.3714 57.2701 -8.32974 57.27 2.346 GPRESSAVG: 2154600 24.3496 -5.09014 -8.67176 -10.0096 -18.8276 58.6079 -8.81654 58.7355 2.67592 TIMING: 2154600 CPU: 6251.3, 0.00291818/step Wall: 6251.3, 0.00291818/step, 2.3065 hours remaining, 206.457031 MB of memory in use. ENERGY: 2154600 714.3592 2073.2275 1966.8275 114.0460 -206062.7515 17758.7322 0.0000 0.0000 34031.2525 -149404.3065 297.2034 -183435.5591 -149312.2747 299.3337 -20.4754 7.8883 558361.8064 2.6106 2.7327 PRESSURE: 2154800 -66.6217 -104.801 -96.8856 -104.802 -285.864 34.7283 -96.8859 34.729 155.971 GPRESSURE: 2154800 -72.1546 -67.1883 -64.7243 -78.8815 -240.736 98.5263 -103.805 -51.9574 210.582 PRESSAVG: 2154800 3.81325 -18.234 -29.5034 -18.234 -33.7173 23.6683 -29.5034 23.6684 38.5536 GPRESSAVG: 2154800 3.7337 -18.0717 -28.7443 -17.8164 -32.7565 25.8449 -29.4071 21.1006 38.1087 TIMING: 2154800 CPU: 6251.88, 0.002917/step Wall: 6251.88, 0.002917/step, 2.3054 hours remaining, 206.457031 MB of memory in use. ENERGY: 2154800 721.4800 2105.2904 1970.3281 114.5095 -206042.2456 17658.1462 0.0000 0.0000 34117.3904 -149355.1010 297.9557 -183472.4914 -149259.0800 298.4606 -65.5051 -34.1028 558898.6369 2.8832 3.0286 PRESSURE: 2155000 -312.442 -75.9801 116.117 -75.9799 -47.3816 146.762 116.116 146.761 114.57 GPRESSURE: 2155000 -246.846 -90.1277 105.704 0.311586 10.5932 43.9778 164.455 158.41 87.8197 PRESSAVG: 2155000 -9.30259 17.6479 2.01289 17.6479 0.455553 38.1844 2.01292 38.1846 -10.7219 GPRESSAVG: 2155000 -9.50845 16.6307 2.65267 18.7641 1.02476 35.889 1.19048 41.4404 -10.8975 TIMING: 2155000 CPU: 6252.46, 0.00289569/step Wall: 6252.46, 0.00289569/step, 2.2884 hours remaining, 206.457031 MB of memory in use. ENERGY: 2155000 739.3934 2050.4741 2001.6718 114.0248 -205839.0520 17591.0437 0.0000 0.0000 34141.0642 -149201.3800 298.1624 -183342.4441 -149107.1639 298.7275 -81.7513 -49.4776 558940.3122 -6.5230 -6.4604 PRESSURE: 2155200 -16.8698 -15.2397 -69.8244 -15.2395 -131.413 61.8882 -69.8241 61.8888 -367.952 GPRESSURE: 2155200 15.7152 -19.1466 -146.679 -20.4882 -138.639 57.3232 -84.5378 49.6247 -293.228 PRESSAVG: 2155200 6.14214 37.8586 -1.41986 37.8586 51.7694 -2.01972 -1.41991 -2.01979 -57.6715 GPRESSAVG: 2155200 7.61091 38.7572 -0.417084 38.9549 50.9986 -0.77662 -1.04163 -2.94736 -58.5602 TIMING: 2155200 CPU: 6253.04, 0.00289354/step Wall: 6253.04, 0.00289354/step, 2.28654 hours remaining, 206.457031 MB of memory in use. ENERGY: 2155200 776.2314 2123.8323 1965.1733 115.3943 -205896.2330 17470.1671 0.0000 0.0000 34352.2058 -149093.2289 300.0064 -183445.4347 -148996.6765 299.5134 -172.0782 -138.7172 558075.0500 0.0800 0.0164 PRESSURE: 2155400 -22.825 -35.1852 -32.4617 -35.1868 -142.19 -159.419 -32.4615 -159.42 121.87 GPRESSURE: 2155400 8.6713 -64.1214 -28.2897 -16.2604 -103.338 -134.191 72.3791 -168.775 149.125 PRESSAVG: 2155400 8.23167 0.989014 -36.3794 0.988975 -47.0219 19.3451 -36.3795 19.3452 37.8719 GPRESSAVG: 2155400 7.24853 -0.312229 -37.7095 -0.878714 -46.8456 21.729 -36.5717 18.0223 38.3281 TIMING: 2155400 CPU: 6253.63, 0.00294063/step Wall: 6253.63, 0.00294063/step, 2.32358 hours remaining, 206.457031 MB of memory in use. ENERGY: 2155400 747.8999 2107.4019 1984.6481 104.6426 -205969.9525 17811.8347 0.0000 0.0000 34375.3916 -148838.1336 300.2088 -183213.5253 -148750.8858 299.6901 -14.3817 18.1527 557372.9473 -0.3061 -0.4230 PRESSURE: 2155600 -148.649 -19.8449 -61.4954 -19.8451 -72.6361 119.475 -61.4948 119.474 -203.638 GPRESSURE: 2155600 -115.198 -67.5598 -91.063 21.8194 -14.2529 181.628 -108.571 142.553 -212.164 PRESSAVG: 2155600 -45.2165 9.97342 13.7026 9.97339 33.5636 -66.6214 13.7026 -66.6214 -13.477 GPRESSAVG: 2155600 -44.6933 9.10169 14.5342 12.4226 32.7973 -68.5389 13.0743 -65.4387 -13.7418 TIMING: 2155600 CPU: 6254.21, 0.00294054/step Wall: 6254.21, 0.00294054/step, 2.32335 hours remaining, 206.457031 MB of memory in use. ENERGY: 2155600 755.9000 2084.5515 1959.7827 117.8542 -205701.8123 17417.9701 0.0000 0.0000 34273.6282 -149092.1255 299.3201 -183365.7538 -148993.3100 299.7080 -141.6411 -113.8716 559032.4267 -8.3766 -8.5459 PRESSURE: 2155800 -123.775 -116.189 21.3549 -116.188 175.018 -82.4369 21.3551 -82.4386 179.169 GPRESSURE: 2155800 -143.738 -119.213 81.7604 -94.6448 161.379 -80.6065 7.40848 -66.5516 296.51 PRESSAVG: 2155800 -19.3147 -48.2205 -40.2361 -48.2206 -66.232 -85.7226 -40.2361 -85.7225 72.0754 GPRESSAVG: 2155800 -19.6711 -46.6758 -43.4652 -49.8873 -65.8098 -86.6864 -36.9579 -86.2796 71.9783 TIMING: 2155800 CPU: 6254.8, 0.00291596/step Wall: 6254.8, 0.00291595/step, 2.30377 hours remaining, 206.457031 MB of memory in use. ENERGY: 2155800 732.4883 2066.2176 1964.0652 126.3607 -206339.3510 17937.5615 0.0000 0.0000 34228.5988 -149284.0589 298.9269 -183512.6577 -149188.2476 298.8625 76.8039 104.7170 556866.8008 -4.4904 -4.5009 PRESSURE: 2156000 173.291 -48.915 -84.3348 -48.914 -79.2175 68.4909 -84.3342 68.4913 -157.316 GPRESSURE: 2156000 253.491 -79.6975 -89.3372 41.6897 -23.5079 130.39 -122.285 68.563 -189.506 PRESSAVG: 2156000 -13.5446 35.3147 17.4813 35.3148 20.1013 -49.0037 17.4813 -49.0035 10.2731 GPRESSAVG: 2156000 -12.6358 35.0277 18.635 36.7223 19.431 -48.4513 14.2166 -48.1387 10.6672 TIMING: 2156000 CPU: 6255.38, 0.00292276/step Wall: 6255.38, 0.00292276/step, 2.30898 hours remaining, 206.660156 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: 2156000 750.6744 2089.3061 1941.7556 103.7298 -206260.6220 17716.9290 0.0000 0.0000 34232.3064 -149425.9207 298.9592 -183658.2271 -149329.9140 298.4820 -21.0808 13.4924 557732.9044 5.6099 5.8208 PRESSURE: 2156200 -54.6955 14.1299 -15.3447 14.131 -203.008 27.4985 -15.3462 27.4977 -34.5893 GPRESSURE: 2156200 -67.8954 70.0339 -56.8602 -48.6808 -127.117 -118.409 10.909 81.5399 2.34694 PRESSAVG: 2156200 55.1711 18.4408 -41.3056 18.4408 -20.2941 -44.1328 -41.3057 -44.1329 -31.3546 GPRESSAVG: 2156200 54.8415 18.0356 -41.3059 16.465 -19.1051 -45.4367 -40.7359 -43.5676 -32.2086 TIMING: 2156200 CPU: 6255.96, 0.00289368/step Wall: 6255.96, 0.00289368/step, 2.28585 hours remaining, 206.660156 MB of memory in use. ENERGY: 2156200 721.5706 2078.5231 1980.3827 118.8570 -206295.2345 17823.6532 0.0000 0.0000 34204.2280 -149368.0200 298.7140 -183572.2479 -149273.5538 298.2050 -97.4311 -64.2217 558903.3122 1.1741 1.1760 LDB: ============= START OF LOAD BALANCING ============== 6259.43 LDB: ============== END OF LOAD BALANCING =============== 6259.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6259.43 LDB: ============= START OF LOAD BALANCING ============== 6259.72 LDB: Largest compute 4821 load 0.029394 is 25.0% of average load 0.117639 LDB: Average compute 0.001720 is 1.5% of average load 0.117639 LDB: TIME 6259.72 LOAD: AVG 0.117639 MAX 0.178439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 6259.72 LOAD: AVG 0.117639 MAX 0.178439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: TIME 6259.72 LOAD: AVG 0.117639 MAX 0.178439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: ============== END OF LOAD BALANCING =============== 6259.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6259.73 PRESSURE: 2156400 16.1028 -26.922 140.831 -26.9213 -49.4463 -11.5072 140.831 -11.5056 100.75 GPRESSURE: 2156400 15.8235 -41.2402 148.276 -31.981 14.3569 9.60197 116.267 -209.848 132.61 PRESSAVG: 2156400 24.6972 45.2136 33.5534 45.2136 -28.9091 -4.04991 33.5534 -4.04988 -2.3493 GPRESSAVG: 2156400 24.0345 45.2617 33.6434 44.202 -29.3401 -2.82714 32.9719 -5.47141 -1.0074 TIMING: 2156400 CPU: 6256.55, 0.00295085/step Wall: 6256.55, 0.00295085/step, 2.33084 hours remaining, 206.613281 MB of memory in use. ENERGY: 2156400 727.6973 2094.1830 1970.3015 126.2802 -206464.5705 18074.4322 0.0000 0.0000 33972.8881 -149498.7882 296.6937 -183471.6763 -149398.7924 298.3980 22.4689 54.2636 558978.6767 -2.1871 -2.1043 PRESSURE: 2156600 59.1141 -21.6146 -41.101 -21.6145 -113.328 109.996 -41.1007 109.997 4.14862 GPRESSURE: 2156600 60.7209 -37.5124 52.9517 12.0771 -65.0342 133.494 -157.067 106.823 53.7419 PRESSAVG: 2156600 37.8749 3.05009 39.8201 3.05005 3.74045 4.09063 39.8201 4.09067 -54.2073 GPRESSAVG: 2156600 38.5174 5.09957 40.8421 3.86394 4.66782 3.93637 40.4089 4.03399 -55.4427 TIMING: 2156600 CPU: 6257.13, 0.0028775/step Wall: 6257.13, 0.0028775/step, 2.27275 hours remaining, 206.816406 MB of memory in use. ENERGY: 2156600 720.6439 2073.5891 1983.4414 105.9968 -206301.3526 17748.7078 0.0000 0.0000 34292.2041 -149376.7696 299.4823 -183668.9737 -149281.7155 297.8035 -16.6885 16.4762 557019.8556 -4.1973 -4.0858 PRESSURE: 2156800 -41.8075 236.529 -26.9251 236.529 -157.063 -83.1842 -26.9261 -83.1846 -229.443 GPRESSURE: 2156800 50.5345 302.976 -53.2645 203.19 -170.636 -48.5447 10.0959 -26.7799 -204.094 PRESSAVG: 2156800 -3.53692 19.3938 20.1157 19.3938 1.95174 -66.4726 20.1156 -66.4726 -36.2543 GPRESSAVG: 2156800 -2.20237 19.2196 18.3238 19.2929 0.883933 -64.7952 22.2678 -66.4127 -36.6882 TIMING: 2156800 CPU: 6257.71, 0.002906/step Wall: 6257.71, 0.002906/step, 2.29509 hours remaining, 206.917969 MB of memory in use. ENERGY: 2156800 752.4135 2107.4003 2002.6734 101.3325 -206293.5745 17677.5494 0.0000 0.0000 34257.8565 -149394.3489 299.1824 -183652.2055 -149298.9458 298.6040 -142.7713 -108.0651 556500.4583 -12.6132 -12.6689 PRESSURE: 2157000 156.4 -52.0811 117.852 -52.0824 88.8813 12.8987 117.853 12.8984 0.591042 GPRESSURE: 2157000 152.379 52.494 74.1487 2.42616 162.422 82.8478 217.369 -46.9838 31.2259 PRESSAVG: 2157000 16.8681 18.7154 3.89498 18.7155 19.0969 25.4201 3.895 25.42 -48.4138 GPRESSAVG: 2157000 15.186 16.7565 4.95302 20.5141 19.8949 26.1788 2.4768 26.0322 -47.2315 TIMING: 2157000 CPU: 6258.29, 0.00289677/step Wall: 6258.29, 0.00289677/step, 2.28764 hours remaining, 206.917969 MB of memory in use. ENERGY: 2157000 720.7261 2051.6522 1973.6685 123.3851 -206558.3053 17998.5950 0.0000 0.0000 34243.7879 -149446.4905 299.0595 -183690.2784 -149347.3905 298.5230 81.9575 115.3422 557762.6972 -4.1496 -4.0502 PRESSURE: 2157200 -74.4718 17.9743 61.413 17.9752 -257.261 -110.905 61.413 -110.905 -217.897 GPRESSURE: 2157200 -40.3065 -8.21987 120.014 14.252 -232.053 -151.16 35.9061 -129.391 -202.465 PRESSAVG: 2157200 48.0574 27.3973 58.2025 27.3974 31.0259 45.9367 58.2026 45.9367 -74.7612 GPRESSAVG: 2157200 49.1775 28.2265 58.1451 25.9604 30.4765 42.9869 57.3237 46.7911 -74.7551 TIMING: 2157200 CPU: 6258.87, 0.00290601/step Wall: 6258.87, 0.00290601/step, 2.29478 hours remaining, 206.917969 MB of memory in use. ENERGY: 2157200 761.7075 2109.4021 1981.5151 118.1999 -206126.9366 17708.3213 0.0000 0.0000 33934.2276 -149513.5632 296.3560 -183447.7909 -149421.4158 298.1090 -183.2099 -158.2748 558122.0372 1.4407 1.6330 PRESSURE: 2157400 46.4847 -209.777 -182.782 -209.776 -6.03461 -41.5637 -182.782 -41.563 -94.6221 GPRESSURE: 2157400 69.6545 -233.729 -163.035 -242.209 1.90323 -37.1365 -177.534 -2.83196 -42.7541 PRESSAVG: 2157400 88.753 -19.3595 -41.2404 -19.3595 36.4654 -19.444 -41.2405 -19.444 -115.329 GPRESSAVG: 2157400 88.8631 -18.3124 -41.8461 -18.4375 35.3367 -18.807 -41.4185 -19.3886 -114.633 TIMING: 2157400 CPU: 6259.45, 0.00292258/step Wall: 6259.45, 0.00292258/step, 2.3077 hours remaining, 206.917969 MB of memory in use. ENERGY: 2157400 733.7246 2061.5159 1990.9435 125.8487 -206516.5373 17964.9465 0.0000 0.0000 34158.0264 -149481.5316 298.3105 -183639.5580 -149383.2951 298.3575 -18.0573 9.6012 558273.1267 3.2965 3.1891 PRESSURE: 2157600 350.049 7.85933 -180.902 7.85826 -50.4634 -97.7284 -180.901 -97.7281 282.335 GPRESSURE: 2157600 361.512 -30.0231 -215.419 0.423614 54.9682 -101.254 -200.008 -20.8601 256.961 PRESSAVG: 2157600 93.4917 -23.2109 -32.3677 -23.2111 -29.304 13.2226 -32.3677 13.2226 -58.481 GPRESSAVG: 2157600 93.2394 -24.7296 -33.6661 -22.7272 -27.6969 14.9877 -30.8984 11.9759 -59.9547 TIMING: 2157600 CPU: 6260.04, 0.00292683/step Wall: 6260.04, 0.00292683/step, 2.31089 hours remaining, 206.917969 MB of memory in use. ENERGY: 2157600 754.8337 2102.4430 1983.6950 119.2000 -206765.6428 18157.0290 0.0000 0.0000 34184.1498 -149464.2922 298.5387 -183648.4420 -149367.5929 298.6267 193.9737 224.4805 557089.6868 1.9022 1.8626 PRESSURE: 2157800 41.2213 -66.9723 93.4824 -66.9716 -16.8047 78.098 93.4821 78.0976 52.4375 GPRESSURE: 2157800 123.152 -89.4945 101.772 -68.017 -16.2007 19.9344 141.802 40.1631 69.8187 PRESSAVG: 2157800 49.5217 -35.8171 0.188462 -35.8171 -30.8229 31.6615 0.18855 31.6615 5.6142 GPRESSAVG: 2157800 49.1516 -35.3709 0.961186 -35.0569 -31.3522 29.3706 -0.143097 31.9004 6.82823 TIMING: 2157800 CPU: 6260.62, 0.0029045/step Wall: 6260.62, 0.0029045/step, 2.2931 hours remaining, 206.917969 MB of memory in use. ENERGY: 2157800 761.1973 2161.0668 1965.0694 129.0236 -206885.6844 18022.8187 0.0000 0.0000 34291.4544 -149555.0543 299.4758 -183846.5087 -149463.8276 298.3288 25.6180 58.9234 555565.2851 8.1043 8.2092 PRESSURE: 2158000 217.363 162.901 -35.6636 162.901 189.179 -111.924 -35.6638 -111.924 -21.5541 GPRESSURE: 2158000 214.735 134.164 -104.087 177.293 247.221 -70.125 -46.0465 -189.09 9.85462 PRESSAVG: 2158000 38.1738 40.2765 2.34268 40.2764 -11.9712 -32.7088 2.34263 -32.7088 -0.107561 GPRESSAVG: 2158000 38.4719 39.8267 2.71049 37.608 -12.277 -32.7835 3.31202 -29.7741 -0.87175 TIMING: 2158000 CPU: 6261.2, 0.00290108/step Wall: 6261.2, 0.00290108/step, 2.29024 hours remaining, 206.917969 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: 2158000 764.0549 2113.5178 1949.9339 104.7538 -206653.2356 18123.3787 0.0000 0.0000 33960.8926 -149636.7039 296.5889 -183597.5965 -149543.6967 298.5178 128.3293 157.2699 557755.7296 8.6983 8.4411 PRESSURE: 2158200 -93.9582 -54.4777 -1.31015 -54.4788 87.6762 100.955 -1.31059 100.954 115.928 GPRESSURE: 2158200 -30.9382 -1.41854 -42.687 -91.2732 102.379 109.011 -47.652 133.113 150.157 PRESSAVG: 2158200 53.303 15.3238 -36.2952 15.3238 39.1563 -0.202905 -36.2952 -0.203057 -40.2659 GPRESSAVG: 2158200 53.2882 16.6935 -34.3414 14.3299 40.1519 2.30901 -38.8979 -1.83101 -40.6606 TIMING: 2158200 CPU: 6261.78, 0.00291514/step Wall: 6261.78, 0.00291514/step, 2.30118 hours remaining, 206.917969 MB of memory in use. ENERGY: 2158200 748.1016 2066.2077 1989.4666 112.5383 -206598.4463 17968.4292 0.0000 0.0000 34051.8977 -149661.8052 297.3837 -183713.7029 -149563.4250 297.6859 36.5485 73.8658 556945.8761 17.3978 17.5931 PRESSURE: 2158400 -78.9612 -40.7991 -257.284 -40.7987 -23.3481 -41.6921 -257.282 -41.6921 -360.283 GPRESSURE: 2158400 -26.3797 -41.9696 -243.396 43.6218 7.55338 4.76744 -193.5 -50.1411 -343.614 PRESSAVG: 2158400 46.308 -36.4938 7.37728 -36.4938 16.0219 14.2148 7.37718 14.2148 -46.8168 GPRESSAVG: 2158400 46.0785 -39.7708 5.48372 -33.3377 15.7453 12.0922 9.33732 15.4678 -46.251 TIMING: 2158400 CPU: 6262.37, 0.00291691/step Wall: 6262.37, 0.00291691/step, 2.30241 hours remaining, 206.917969 MB of memory in use. ENERGY: 2158400 766.6507 2127.2790 1944.2850 99.1821 -206523.5757 17792.4507 0.0000 0.0000 34147.3894 -149646.3389 298.2176 -183793.7282 -149551.8331 297.4846 -154.1974 -120.8134 557428.9686 5.1710 5.1909 PRESSURE: 2158600 -46.6295 91.3753 -64.4273 91.3747 -216.68 69.8235 -64.4274 69.8228 9.79094 GPRESSURE: 2158600 22.9321 72.9774 -36.2812 94.8668 -184.605 99.0066 -98.3361 3.0652 15.5536 PRESSAVG: 2158600 10.4719 -17.985 11.0574 -17.985 33.3772 -15.3708 11.0573 -15.3707 -46.8011 GPRESSAVG: 2158600 10.9074 -15.073 13.7539 -19.8123 33.7781 -13.4478 9.72058 -17.5609 -47.6103 TIMING: 2158600 CPU: 6262.94, 0.00289634/step Wall: 6262.94, 0.00289634/step, 2.28602 hours remaining, 206.917969 MB of memory in use. ENERGY: 2158600 749.6460 2089.3946 1933.9999 110.3248 -206466.6317 17794.0598 0.0000 0.0000 34227.8184 -149561.3882 298.9201 -183789.2066 -149462.7804 298.7071 -84.5061 -48.7065 556628.7417 -0.9840 -0.9749 PRESSURE: 2158800 -143.607 106.729 115.406 106.729 136.633 221.712 115.406 221.713 -70.1566 GPRESSURE: 2158800 -75.2099 175.491 113.542 98.2694 115.609 229.571 6.12373 268.649 -19.0652 PRESSAVG: 2158800 2.96963 -29.5829 -26.1237 -29.5829 -9.22787 44.4798 -26.1236 44.4798 11.1518 GPRESSAVG: 2158800 3.58828 -29.8323 -28.0399 -28.0124 -10.7878 43.2041 -27.074 46.0868 12.7597 TIMING: 2158800 CPU: 6263.52, 0.00289474/step Wall: 6263.52, 0.00289474/step, 2.28459 hours remaining, 206.917969 MB of memory in use. ENERGY: 2158800 744.3542 2060.4423 1938.9664 111.0884 -206564.1687 17954.9389 0.0000 0.0000 34215.6595 -149538.7190 298.8139 -183754.3786 -149445.3930 298.3150 -25.7102 7.1112 557419.0636 1.6312 1.8534 PRESSURE: 2159000 38.9773 6.11958 11.2967 6.11926 61.5443 3.40305 11.2976 3.40172 -194.956 GPRESSURE: 2159000 46.2284 49.6176 -11.9105 -35.3128 71.1928 -64.331 -12.3608 84.253 -120.729 PRESSAVG: 2159000 -30.5981 2.61498 -2.24586 2.61488 16.3585 58.822 -2.24581 58.8219 33.2717 GPRESSAVG: 2159000 -31.3275 2.98734 -0.423951 1.44509 17.2448 61.6244 -2.29379 56.7027 33.1332 TIMING: 2159000 CPU: 6264.1, 0.00289059/step Wall: 6264.1, 0.00289059/step, 2.28115 hours remaining, 206.917969 MB of memory in use. ENERGY: 2159000 696.7615 2072.3521 1926.8635 119.4500 -206566.7346 17883.5326 0.0000 0.0000 34100.4961 -149767.2788 297.8081 -183867.7749 -149680.0976 297.8178 -31.4783 -1.1026 557476.0051 6.3440 6.3502 PRESSURE: 2159200 54.0728 -142.582 -36.0876 -142.582 28.4115 -54.3647 -36.0871 -54.3645 -321.696 GPRESSURE: 2159200 125.674 -162.286 -0.195987 -71.7443 -5.52247 -88.8706 -85.2924 -117.775 -254.327 PRESSAVG: 2159200 41.4833 -46.146 8.48453 -46.146 -47.6129 -12.9258 8.48449 -12.9258 21.6655 GPRESSAVG: 2159200 41.3646 -48.591 7.99525 -44.9988 -47.0415 -15.3033 9.58243 -9.07812 21.5542 TIMING: 2159200 CPU: 6264.68, 0.00291066/step Wall: 6264.68, 0.00291066/step, 2.29683 hours remaining, 206.917969 MB of memory in use. ENERGY: 2159200 789.8309 2050.0079 1980.6288 116.8639 -206536.8166 17943.2405 0.0000 0.0000 34079.6809 -149576.5637 297.6263 -183656.2446 -149478.6018 297.4385 -79.7372 -44.7250 557935.2752 5.1787 5.2924 PRESSURE: 2159400 180.544 -38.7642 47.9308 -38.7651 -59.8044 141.859 47.9307 141.859 135.501 GPRESSURE: 2159400 204.401 -14.3709 0.81593 -53.3677 -47.5768 116.73 106.1 268.064 205.682 PRESSAVG: 2159400 83.3641 -45.6579 12.2626 -45.6579 -28.7985 47.8098 12.2626 47.8097 -29.6398 GPRESSAVG: 2159400 83.5455 -44.0091 8.62354 -44.0893 -29.484 48.4592 14.3742 46.1991 -29.7304 TIMING: 2159400 CPU: 6265.27, 0.00291682/step Wall: 6265.27, 0.00291682/step, 2.30153 hours remaining, 206.917969 MB of memory in use. ENERGY: 2159400 750.5908 2080.5872 1958.9411 100.1562 -206532.6863 18047.9680 0.0000 0.0000 34125.6825 -149468.7605 298.0281 -183594.4430 -149374.9281 298.4296 85.4135 120.8354 557067.5259 8.3086 8.1104 PRESSURE: 2159600 -73.0486 62.1143 119.649 62.1135 171.682 192.033 119.65 192.032 -14.8137 GPRESSURE: 2159600 -36.1094 63.1253 123.682 45.2859 212.422 183.703 90.572 245.636 10.3923 PRESSAVG: 2159600 51.7503 -24.2416 5.84211 -24.2416 -18.3244 49.5154 5.84208 49.5154 -7.83535 GPRESSAVG: 2159600 51.5788 -26.1715 9.07292 -26.3347 -18.974 50.1215 3.53891 49.5438 -7.44158 TIMING: 2159600 CPU: 6265.85, 0.00292102/step Wall: 6265.85, 0.00292102/step, 2.30469 hours remaining, 206.917969 MB of memory in use. ENERGY: 2159600 779.8074 2082.0506 1963.5409 119.9375 -206565.4155 17870.9025 0.0000 0.0000 34250.2521 -149498.9246 299.1160 -183749.1766 -149401.9724 298.0727 27.9400 62.2351 556202.7675 8.5302 8.3877 PRESSURE: 2159800 88.2036 89.5608 82.9712 89.5609 -5.70765 179.156 82.9705 179.155 -37.8527 GPRESSURE: 2159800 106.906 68.4716 188.916 112.326 -6.41246 72.0483 -33.0216 209.552 40.493 PRESSAVG: 2159800 5.66097 -35.959 59.7639 -35.9589 -30.5207 29.4882 59.7639 29.4883 22.4774 GPRESSAVG: 2159800 4.9135 -35.9631 58.2242 -36.2985 -30.1116 30.375 61.1093 30.2015 22.9015 TIMING: 2159800 CPU: 6266.44, 0.0029213/step Wall: 6266.44, 0.0029213/step, 2.30474 hours remaining, 206.917969 MB of memory in use. ENERGY: 2159800 779.4640 2066.1079 1972.9483 119.5385 -206559.0881 17937.4958 0.0000 0.0000 34206.6966 -149476.8370 298.7356 -183683.5336 -149387.1500 297.9525 14.8811 46.9956 557353.1518 -0.7941 -0.7655 PRESSURE: 2160000 21.0532 78.4466 148.634 78.4468 -18.2227 55.6951 148.634 55.6967 9.39273 GPRESSURE: 2160000 75.2789 168.836 68.3752 8.6255 -26.3441 -11.8305 137.362 136.753 48.3469 PRESSAVG: 2160000 -8.45013 22.3586 41.3959 22.3587 23.5362 23.6001 41.3958 23.6001 -4.85784 GPRESSAVG: 2160000 -7.60286 22.842 41.6841 22.5312 23.5016 23.1644 41.3354 23.9073 -5.4009 TIMING: 2160000 CPU: 6267.01, 0.00289508/step Wall: 6267.01, 0.00289508/step, 2.2839 hours remaining, 206.917969 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: 2160000 739.8414 2059.2688 1927.7990 122.3936 -206340.7430 17954.2671 0.0000 0.0000 34096.0049 -149441.1681 297.7689 -183537.1731 -149340.1044 298.0405 4.0744 32.4272 556971.0043 3.4094 3.4993 PRESSURE: 2160200 -181.941 -52.123 -13.7497 -52.1245 -125.831 129.634 -13.7493 129.635 19.5008 GPRESSURE: 2160200 -116.139 -13.9567 -46.2798 -18.8499 -99.4355 110.024 23.692 187.862 37.2849 PRESSAVG: 2160200 38.4404 58.6262 29.4592 58.6263 5.91253 66.0339 29.4591 66.034 -35.3992 GPRESSAVG: 2160200 38.9521 58.7791 30.3585 58.8225 6.15278 67.5795 28.4072 64.4933 -36.4808 TIMING: 2160200 CPU: 6267.59, 0.0028929/step Wall: 6267.59, 0.0028929/step, 2.28202 hours remaining, 206.917969 MB of memory in use. ENERGY: 2160200 765.8303 1969.5363 1929.3892 107.6054 -206017.7512 17809.1577 0.0000 0.0000 34118.2776 -149317.9546 297.9634 -183436.2322 -149215.8248 298.9198 -96.0903 -59.4297 557526.4924 2.9846 2.8747 LDB: ============= START OF LOAD BALANCING ============== 6271.06 LDB: ============== END OF LOAD BALANCING =============== 6271.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6271.06 LDB: ============= START OF LOAD BALANCING ============== 6271.35 LDB: Largest compute 4821 load 0.030167 is 25.6% of average load 0.117740 LDB: Average compute 0.001720 is 1.5% of average load 0.117740 LDB: TIME 6271.35 LOAD: AVG 0.11774 MAX 0.176604 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 6271.35 LOAD: AVG 0.11774 MAX 0.176604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 6271.35 LOAD: AVG 0.11774 MAX 0.176604 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6271.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6271.36 PRESSURE: 2160400 14.416 -68.1729 -41.5882 -68.175 143.518 -26.3522 -41.5896 -26.3505 221.585 GPRESSURE: 2160400 99.4867 -112.905 -65.382 -77.9931 98.7541 -74.4806 37.4605 -42.7051 277.34 PRESSAVG: 2160400 -21.8247 -10.0886 62.3498 -10.0885 3.36222 -33.856 62.3499 -33.856 5.38657 GPRESSAVG: 2160400 -22.1096 -10.4776 61.6008 -8.53871 3.55685 -35.1031 62.1022 -35.5273 5.15927 TIMING: 2160400 CPU: 6268.18, 0.00293518/step Wall: 6268.18, 0.00293518/step, 2.3152 hours remaining, 207.171875 MB of memory in use. ENERGY: 2160400 693.2906 2090.7650 1923.7652 105.9995 -206455.7875 17942.5334 0.0000 0.0000 34355.7321 -149343.7018 300.0372 -183699.4339 -149241.4629 298.7499 126.5066 158.5269 558377.0522 -4.3586 -4.4645 PRESSURE: 2160600 114.998 -197.699 -96.5663 -197.7 44.2222 -62.8127 -96.5659 -62.8128 -291.009 GPRESSURE: 2160600 111.202 -205.666 -188.633 -231.93 61.8066 -23.7801 -128.885 -109.347 -217.421 PRESSAVG: 2160600 -2.25494 -14.694 0.421958 -14.694 -20.2283 -48.5306 0.421931 -48.5305 -19.8176 GPRESSAVG: 2160600 -2.61291 -14.1967 0.263714 -16.8258 -20.6872 -50.2196 -0.729604 -46.3239 -19.197 TIMING: 2160600 CPU: 6268.76, 0.00290656/step Wall: 6268.76, 0.00290656/step, 2.29247 hours remaining, 207.445312 MB of memory in use. ENERGY: 2160600 759.4612 2102.5322 1951.8052 108.1843 -206194.6705 17749.7422 0.0000 0.0000 34263.3354 -149259.6102 299.2302 -183522.9456 -149169.2891 299.1558 -43.9296 -14.8040 557916.6911 -14.1003 -14.1657 PRESSURE: 2160800 -88.426 -1.7099 -78.3976 -1.70902 -61.3793 -100.374 -78.3994 -100.375 -137.095 GPRESSURE: 2160800 -36.6858 -59.5097 -62.3901 17.1343 -40.9234 -122.619 -79.9145 -107.282 -117.338 PRESSAVG: 2160800 14.6886 -51.1416 50.5468 -51.1415 36.9597 -10.7813 50.5469 -10.7813 -27.2849 GPRESSAVG: 2160800 14.333 -50.4141 50.2862 -49.7624 35.825 -8.15605 50.1042 -12.8776 -26.146 TIMING: 2160800 CPU: 6269.35, 0.00293944/step Wall: 6269.35, 0.00293944/step, 2.31824 hours remaining, 207.445312 MB of memory in use. ENERGY: 2160800 774.2345 2090.7230 1968.1782 108.5032 -206359.9234 17795.1213 0.0000 0.0000 34185.7547 -149437.4085 298.5527 -183623.1633 -149343.4174 298.9665 -95.6334 -64.9823 558816.7726 8.1211 8.0040 PRESSURE: 2161000 -187.754 -2.42447 40.6141 -2.42393 13.4369 4.7663 40.6142 4.76606 9.25925 GPRESSURE: 2161000 -210.754 23.0377 69.55 -45.9219 60.3415 14.1312 1.8831 24.5014 94.7676 PRESSAVG: 2161000 11.4037 -23.1274 -80.6472 -23.1274 20.1579 50.0521 -80.6471 50.0523 -47.1471 GPRESSAVG: 2161000 10.7669 -22.5054 -80.288 -24.5292 20.6043 46.7278 -78.8195 53.3112 -47.4526 TIMING: 2161000 CPU: 6269.94, 0.00294039/step Wall: 6269.94, 0.00294039/step, 2.31883 hours remaining, 207.445312 MB of memory in use. ENERGY: 2161000 729.9776 2107.3612 1957.9151 109.0277 -206344.2162 17755.9747 0.0000 0.0000 34207.8013 -149476.1586 298.7452 -183683.9599 -149375.7694 298.3708 -55.0193 -18.5482 557754.2657 -5.1952 -5.3605 PRESSURE: 2161200 -9.51786 -78.8748 86.4648 -78.8746 -35.3895 15.3762 86.4642 15.375 120.167 GPRESSURE: 2161200 33.888 -5.55718 108.791 -85.9374 42.348 37.5492 -2.63748 10.8612 102.469 PRESSAVG: 2161200 -23.5591 7.34156 -18.8468 7.34153 71.4231 10.631 -18.8468 10.6309 -28.1592 GPRESSAVG: 2161200 -23.5514 5.94895 -20.7032 8.88767 71.2216 12.7656 -19.5938 8.89882 -27.9425 TIMING: 2161200 CPU: 6270.53, 0.00294046/step Wall: 6270.53, 0.00294046/step, 2.31871 hours remaining, 207.445312 MB of memory in use. ENERGY: 2161200 740.2865 2094.4044 1955.0224 119.7124 -206422.8464 18082.6964 0.0000 0.0000 34060.8684 -149369.8561 297.4620 -183430.7244 -149269.1111 298.5584 25.0865 59.5683 558351.4342 6.5683 6.5759 PRESSURE: 2161400 26.5213 73.9093 -76.6752 73.9075 349.569 -4.30939 -76.6742 -4.30912 -143.106 GPRESSURE: 2161400 -8.07461 -27.2539 -108.794 121.297 407.97 60.3494 -51.4382 -94.2736 -78.9875 PRESSAVG: 2161400 -14.0327 -70.7399 10.2385 -70.74 20.2196 3.9922 10.2384 3.99221 30.8698 GPRESSAVG: 2161400 -13.5927 -69.7605 8.90442 -72.1003 20.7519 4.46134 11.076 4.55861 29.9208 TIMING: 2161400 CPU: 6271.11, 0.00293133/step Wall: 6271.11, 0.00293133/step, 2.31135 hours remaining, 207.445312 MB of memory in use. ENERGY: 2161400 739.0327 2124.9517 1946.2397 117.0210 -206287.8507 17914.7105 0.0000 0.0000 34203.6542 -149242.2410 298.7090 -183445.8952 -149131.5137 298.4906 77.6613 106.9694 557333.0473 12.3523 12.3600 PRESSURE: 2161600 44.5545 -68.7125 -186.903 -68.7131 -33.9773 -61.8314 -186.902 -61.8317 61.4391 GPRESSURE: 2161600 74.4758 -77.1383 -189.048 -76.0206 -17.0268 47.4737 -141.304 -132.432 110.113 PRESSAVG: 2161600 -75.2784 -91.8171 -67.1621 -91.8171 51.2309 -45.8344 -67.1621 -45.8344 16.9934 GPRESSAVG: 2161600 -74.6534 -91.5434 -63.4278 -92.0884 51.1171 -45.6082 -67.3905 -47.2674 17.4183 TIMING: 2161600 CPU: 6271.69, 0.00290071/step Wall: 6271.69, 0.00290071/step, 2.28705 hours remaining, 207.445312 MB of memory in use. ENERGY: 2161600 756.4653 2024.8235 1977.3144 94.8529 -206516.9929 18052.3339 0.0000 0.0000 34492.6360 -149118.5669 301.2328 -183611.2029 -149023.4311 299.7855 24.0054 55.8541 558112.7927 -2.3514 -2.0393 PRESSURE: 2161800 169.38 3.38732 5.61716 3.38827 16.8327 15.8095 5.61783 15.8102 31.4369 GPRESSURE: 2161800 160.87 -6.20065 -81.0526 63.4181 95.2107 123.697 58.5508 -107.774 75.6962 PRESSAVG: 2161800 49.5191 -38.3562 -30.8629 -38.3562 1.1584 -10.9832 -30.8629 -10.9833 19.9423 GPRESSAVG: 2161800 48.3255 -39.4316 -30.0328 -36.6713 1.95285 -11.5397 -32.2121 -10.8851 21.1576 TIMING: 2161800 CPU: 6272.27, 0.0029042/step Wall: 6272.27, 0.0029042/step, 2.28964 hours remaining, 207.445312 MB of memory in use. ENERGY: 2161800 797.3779 2082.0202 1959.9233 110.9581 -206304.0004 17949.7001 0.0000 0.0000 34171.8294 -149232.1914 298.4311 -183404.0208 -149132.0386 299.6977 72.5499 110.5924 555312.4426 23.5399 23.8120 PRESSURE: 2162000 73.4529 80.4141 43.6381 80.4127 -278.71 47.5103 43.6389 47.5096 298.075 GPRESSURE: 2162000 141.857 -8.5522 5.95833 91.8604 -288.422 32.9391 51.0367 20.9531 330.522 PRESSAVG: 2162000 31.4022 -22.7015 6.07321 -22.7015 -58.9781 -64.4932 6.07319 -64.4932 59.8151 GPRESSAVG: 2162000 32.0757 -21.7544 4.39743 -24.6435 -58.6482 -64.5666 5.48908 -64.7157 58.8945 TIMING: 2162000 CPU: 6272.86, 0.00292272/step Wall: 6272.86, 0.00292272/step, 2.30408 hours remaining, 207.445312 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: 2162000 778.4234 2098.7496 1949.6209 107.8553 -206090.6756 17854.5267 0.0000 0.0000 34251.1084 -149050.3912 299.1234 -183301.4996 -148958.2238 299.5736 30.9395 61.3188 556804.4932 10.7464 10.7740 PRESSURE: 2162200 -80.4183 63.1987 124.195 63.1975 4.19582 -31.8288 124.196 -31.8295 -43.117 GPRESSURE: 2162200 -50.6043 15.1862 20.2987 86.408 7.18023 -50.3835 196.313 -10.4399 32.0943 PRESSAVG: 2162200 -34.9942 28.852 -42.7525 28.852 -36.2765 -33.8566 -42.7525 -33.8567 88.2251 GPRESSAVG: 2162200 -35.4226 28.8348 -41.7449 29.1116 -37.5243 -35.0755 -41.9903 -31.979 89.9587 TIMING: 2162200 CPU: 6273.44, 0.00291645/step Wall: 6273.44, 0.00291645/step, 2.29897 hours remaining, 207.445312 MB of memory in use. ENERGY: 2162200 790.8421 2123.0664 1956.8613 113.2346 -205978.5005 17733.2533 0.0000 0.0000 34148.0110 -149113.2319 298.2231 -183261.2429 -149017.8176 299.5862 -39.7798 -3.7766 557569.0634 5.6515 5.6706 PRESSURE: 2162400 -96.774 110.181 -38.2589 110.182 111.693 107.364 -38.2581 107.363 243.945 GPRESSURE: 2162400 -93.1857 33.4174 -91.4335 129.731 194.458 154.215 -10.2104 126.956 262.305 PRESSAVG: 2162400 24.8914 49.3125 -4.07682 49.3126 -45.9455 -35.6129 -4.07675 -35.613 8.48011 GPRESSAVG: 2162400 25.5313 46.9248 -5.25287 51.2579 -45.9069 -34.3689 -2.18603 -36.5139 7.52628 TIMING: 2162400 CPU: 6274.03, 0.00292453/step Wall: 6274.03, 0.00292453/step, 2.30518 hours remaining, 207.445312 MB of memory in use. ENERGY: 2162400 759.0182 2116.6802 1967.5346 114.8399 -206133.7014 17803.8845 0.0000 0.0000 34277.4827 -149094.2612 299.3538 -183371.7439 -148998.0726 299.3739 86.2880 121.1924 555822.8142 -4.1913 -4.2831 PRESSURE: 2162600 173.831 -118.59 -44.8678 -118.589 301.291 -50.3831 -44.8689 -50.383 149.261 GPRESSURE: 2162600 216.808 -79.8761 -33.8492 -53.8273 343.258 -201.94 -0.545003 3.83824 162.429 PRESSAVG: 2162600 -0.097182 20.364 -58.9951 20.3639 67.325 0.551129 -58.9952 0.551114 -39.6889 GPRESSAVG: 2162600 -0.033849 22.96 -59.4454 19.1423 66.5451 -0.279251 -60.2699 0.943702 -39.2383 TIMING: 2162600 CPU: 6274.61, 0.00291932/step Wall: 6274.61, 0.00291932/step, 2.30091 hours remaining, 207.445312 MB of memory in use. ENERGY: 2162600 741.8661 2096.8244 1980.5259 112.9625 -206352.5734 18108.5313 0.0000 0.0000 34100.6703 -149211.1929 297.8096 -183311.8632 -149105.7838 298.9089 208.1279 240.8319 556935.7741 9.1797 9.0910 PRESSURE: 2162800 48.2635 -0.0637146 8.87348 -0.0639574 -1.18424 -87.781 8.87506 -87.7807 -38.0695 GPRESSURE: 2162800 85.0194 -98.6933 -74.9537 40.4247 68.3687 -97.146 -5.85843 -53.5297 -34.7176 PRESSAVG: 2162800 -33.1085 4.27232 -13.8991 4.27239 -1.58818 30.9679 -13.899 30.968 -23.1158 GPRESSAVG: 2162800 -33.8465 1.06079 -14.2567 5.97392 -0.811981 29.379 -13.2865 30.3742 -23.9069 TIMING: 2162800 CPU: 6275.2, 0.00293623/step Wall: 6275.2, 0.00293623/step, 2.31408 hours remaining, 207.445312 MB of memory in use. ENERGY: 2162800 771.1654 2029.4071 2000.5850 124.0183 -206243.6771 17894.2020 0.0000 0.0000 34328.1228 -149096.1766 299.7960 -183424.2994 -148998.7268 298.6262 3.0033 39.5568 558213.0432 -19.2708 -19.5218 PRESSURE: 2163000 190.21 -117.307 10.4174 -117.308 -33.6188 16.5673 10.4168 16.5679 182.143 GPRESSURE: 2163000 205.931 -108.298 -78.2905 -128.38 -13.4108 108.238 46.0153 5.55485 249.62 PRESSAVG: 2163000 -40.5662 10.6839 -2.30722 10.684 33.8263 -26.6964 -2.30718 -26.6964 14.8462 GPRESSAVG: 2163000 -40.4282 12.016 -2.51595 10.075 33.119 -23.8095 -1.70944 -26.9672 15.5958 TIMING: 2163000 CPU: 6275.78, 0.00292851/step Wall: 6275.78, 0.00292851/step, 2.30783 hours remaining, 207.445312 MB of memory in use. ENERGY: 2163000 703.0588 2107.0176 1975.1300 113.8855 -205757.6249 17559.9862 0.0000 0.0000 34092.0810 -149206.4659 297.7346 -183298.5468 -149110.8469 298.9942 112.9116 147.3802 556601.2075 2.7021 2.7622 PRESSURE: 2163200 126.497 57.2421 -66.8878 57.2412 167.032 84.0983 -66.8867 84.0969 106.632 GPRESSURE: 2163200 181.032 16.8364 8.39553 -7.65058 192.661 -5.9039 -97.3435 114.615 130.271 PRESSAVG: 2163200 -20.4576 -31.8814 39.1751 -31.8815 -0.924702 -30.795 39.175 -30.7951 50.0693 GPRESSAVG: 2163200 -18.9017 -28.3103 42.4201 -33.9889 -1.755 -33.1655 36.3126 -30.3346 49.7963 TIMING: 2163200 CPU: 6276.37, 0.00291911/step Wall: 6276.37, 0.00291911/step, 2.30026 hours remaining, 207.445312 MB of memory in use. ENERGY: 2163200 702.5052 2101.6997 1981.1436 117.0574 -206397.2675 17924.7770 0.0000 0.0000 34399.6826 -149170.4021 300.4210 -183570.0847 -149069.4801 299.3035 133.3867 167.9880 556256.6369 9.5623 9.7132 PRESSURE: 2163400 -108.889 -87.2468 -117.287 -87.2468 -65.2532 44.6969 -117.288 44.6968 -75.9166 GPRESSURE: 2163400 -113.377 -88.9351 -71.9868 -65.787 -41.5325 7.42786 -74.7898 -26.2119 3.00105 PRESSAVG: 2163400 36.3577 -22.5387 -16.1733 -22.5387 -34.7107 -11.7061 -16.1732 -11.7061 1.83687 GPRESSAVG: 2163400 32.7975 -22.8467 -18.7961 -20.9444 -32.6809 -10.4497 -13.3254 -12.2617 2.60791 TIMING: 2163400 CPU: 6276.95, 0.00289912/step Wall: 6276.95, 0.00289912/step, 2.28435 hours remaining, 207.445312 MB of memory in use. ENERGY: 2163400 762.0117 2176.4750 1942.0544 124.1804 -206159.8177 17634.0098 0.0000 0.0000 34424.3199 -149096.7666 300.6361 -183521.0865 -149008.3155 299.4206 -83.3531 -50.6360 558018.0195 1.1613 0.9082 PRESSURE: 2163600 -91.9604 4.66144 -150.266 4.6609 -37.5021 36.1037 -150.266 36.1034 48.768 GPRESSURE: 2163600 -54.6652 -76.7522 -90.7249 5.13798 23.3319 11.8713 -173.308 31.0799 61.4095 PRESSAVG: 2163600 -16.1069 5.79115 -2.6755 5.79103 20.2109 -3.48421 -2.67539 -3.48425 -20.8888 GPRESSAVG: 2163600 -14.644 4.54335 -2.77645 5.78009 19.8556 -4.90809 -2.66458 -4.55973 -22.4941 TIMING: 2163600 CPU: 6277.53, 0.00292793/step Wall: 6277.53, 0.00292793/step, 2.30688 hours remaining, 207.445312 MB of memory in use. ENERGY: 2163600 755.6634 2087.2790 2007.6676 114.2698 -206340.5669 18032.6271 0.0000 0.0000 34198.6514 -149144.4086 298.6653 -183343.0600 -149050.4655 299.6081 -26.8981 10.0254 558397.5673 -5.5949 -5.7608 PRESSURE: 2163800 221.759 93.1494 -25.8633 93.1478 59.2754 68.4009 -25.8628 68.4007 -183.331 GPRESSURE: 2163800 194.327 34.6032 -66.8459 153.655 125.317 85.0735 -59.652 100.767 -119.541 PRESSAVG: 2163800 21.3956 39.1769 3.4749 39.1768 66.6892 -15.7919 3.47493 -15.7918 -46.8228 GPRESSAVG: 2163800 21.1054 38.6672 3.04776 39.2358 66.6619 -17.2165 3.54055 -11.5882 -46.3389 TIMING: 2163800 CPU: 6278.12, 0.00293537/step Wall: 6278.12, 0.00293537/step, 2.31258 hours remaining, 207.511719 MB of memory in use. ENERGY: 2163800 724.7908 2081.1768 1981.6110 121.0315 -206295.2414 17867.7946 0.0000 0.0000 34356.0056 -149162.8312 300.0395 -183518.8367 -149072.0534 299.4138 32.5678 66.7010 557561.4745 13.7540 13.8095 PRESSURE: 2164000 144.519 106.29 -141.074 106.289 -238.097 -40.1849 -141.074 -40.1842 23.1582 GPRESSURE: 2164000 118.174 119.444 -210.112 15.4155 -171.173 -92.4515 -110.57 -43.2228 79.6748 PRESSAVG: 2164000 33.8724 8.25125 13.2136 8.25121 65.7951 -16.8917 13.2137 -16.8918 -35.7261 GPRESSAVG: 2164000 34.361 8.62242 12.3573 8.71989 65.0978 -15.2649 11.3993 -18.5962 -35.8911 TIMING: 2164000 CPU: 6278.7, 0.00290002/step Wall: 6278.7, 0.00290002/step, 2.28457 hours remaining, 207.511719 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: 2164000 740.3705 2158.6408 1944.3804 118.7530 -206139.0917 17758.1813 0.0000 0.0000 34329.7110 -149089.0547 299.8099 -183418.7657 -148992.2073 299.6051 -23.4732 8.8918 557283.9020 21.3138 21.1892 PRESSURE: 2164200 -140.674 90.1343 -29.4548 90.1352 43.5135 -34.0095 -29.4535 -34.009 -310.063 GPRESSURE: 2164200 -63.3875 36.4546 -29.6949 141.765 25.1278 -64.7783 -104.571 -30.7165 -268.045 PRESSAVG: 2164200 15.8307 26.3246 21.7495 26.3247 9.94161 26.4201 21.7494 26.4201 -73.8076 GPRESSAVG: 2164200 15.9007 24.5931 22.8886 27.6012 9.16371 25.3181 22.0413 26.7606 -73.4822 TIMING: 2164200 CPU: 6279.28, 0.0029003/step Wall: 6279.28, 0.0029003/step, 2.28463 hours remaining, 207.511719 MB of memory in use. ENERGY: 2164200 776.6044 2102.4745 1979.6814 120.9422 -205741.9879 17607.2138 0.0000 0.0000 33972.3418 -149182.7297 296.6889 -183155.0715 -149088.5837 299.1078 -135.7410 -102.1016 557476.5129 -16.0118 -16.1393 LDB: ============= START OF LOAD BALANCING ============== 6282.75 LDB: ============== END OF LOAD BALANCING =============== 6282.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6282.75 LDB: ============= START OF LOAD BALANCING ============== 6283.04 LDB: Largest compute 4821 load 0.031197 is 26.5% of average load 0.117715 LDB: Average compute 0.001721 is 1.5% of average load 0.117715 LDB: TIME 6283.04 LOAD: AVG 0.117715 MAX 0.176587 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.078 MB LDB: TIME 6283.04 LOAD: AVG 0.117715 MAX 0.176587 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 6283.04 LOAD: AVG 0.117715 MAX 0.176587 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6283.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6283.05 PRESSURE: 2164400 -8.53009 -134.513 87.9846 -134.513 8.81631 0.810297 87.9832 0.810567 -71.9798 GPRESSURE: 2164400 55.5091 -150.48 131.157 -113.378 8.67564 -20.3671 -31.2564 -53.863 -39.7041 PRESSAVG: 2164400 -9.35688 4.0663 -10.9541 4.06632 59.936 2.5807 -10.9541 2.58066 -61.1927 GPRESSAVG: 2164400 -10.2247 4.96133 -10.4658 2.37118 61.4216 3.48794 -11.1182 3.90123 -61.8454 TIMING: 2164400 CPU: 6279.87, 0.00295649/step Wall: 6279.87, 0.00295649/step, 2.32873 hours remaining, 207.156250 MB of memory in use. ENERGY: 2164400 772.7656 2105.4331 1975.4079 127.4378 -206261.8430 17898.3278 0.0000 0.0000 34045.8194 -149336.6514 297.3306 -183382.4708 -149244.8020 298.7560 -23.8979 8.1602 557270.6154 -3.5379 -3.5495 PRESSURE: 2164600 -303.185 -54.6513 119.48 -54.6521 -215.647 0.217221 119.48 0.217026 -180.887 GPRESSURE: 2164600 -278.349 32.0825 140.263 -180.362 -193.886 129.752 204.857 -51.5729 -124.915 PRESSAVG: 2164600 -1.96961 -47.6824 38.4126 -47.6825 101.401 9.51261 38.4125 9.51249 -17.2239 GPRESSAVG: 2164600 -0.52933 -47.6797 38.1856 -46.0337 100.96 9.93458 39.3697 7.78476 -18.1575 TIMING: 2164600 CPU: 6280.45, 0.00289754/step Wall: 6280.45, 0.00289754/step, 2.28213 hours remaining, 207.359375 MB of memory in use. ENERGY: 2164600 727.3310 2161.6187 1955.5674 115.0809 -205741.5193 17408.7443 0.0000 0.0000 34231.7921 -149141.3849 298.9548 -183373.1770 -149041.2116 299.7304 -233.2397 -199.0501 557636.3189 27.4026 27.4244 PRESSURE: 2164800 99.9531 -62.6125 -134.222 -62.6131 -160.66 8.61728 -134.222 8.61822 -109.596 GPRESSURE: 2164800 112.08 37.8731 -257.982 -131.749 -105.548 -63.9474 -177.957 7.31278 -71.099 PRESSAVG: 2164800 -35.0913 0.478514 62.0522 0.4785 52.7628 14.4471 62.0522 14.4471 -71.9812 GPRESSAVG: 2164800 -35.1047 1.22238 61.6347 0.783349 52.1486 13.648 60.1034 15.1933 -71.4009 TIMING: 2164800 CPU: 6281.03, 0.0028852/step Wall: 6281.03, 0.0028852/step, 2.27225 hours remaining, 207.359375 MB of memory in use. ENERGY: 2164800 729.2469 2107.5030 1960.4680 112.7196 -206133.8645 17774.1983 0.0000 0.0000 34215.2424 -149234.4863 298.8102 -183449.7287 -149141.8200 299.3819 -56.7679 -21.5221 556456.8738 -18.1032 -18.1190 PRESSURE: 2165000 -61.4546 47.871 -114.491 47.8728 -353.191 21.0972 -114.491 21.0976 -178.033 GPRESSURE: 2165000 -57.2031 -20.4937 -79.8691 104.803 -272.477 53.1847 -243.319 -20.4526 -175.905 PRESSAVG: 2165000 -3.72418 -1.12398 9.84623 -1.12392 38.6279 22.2129 9.84625 22.2128 5.28145 GPRESSAVG: 2165000 -3.57389 -1.42376 9.66686 -2.86546 37.8871 23.5249 10.9096 20.734 5.81022 TIMING: 2165000 CPU: 6281.61, 0.00289733/step Wall: 6281.61, 0.00289733/step, 2.28164 hours remaining, 207.359375 MB of memory in use. ENERGY: 2165000 726.6882 2058.9326 1954.2371 111.1893 -205711.6927 17375.2393 0.0000 0.0000 34428.0676 -149057.3385 300.6689 -183485.4061 -148955.4049 299.9239 -197.5596 -168.5286 557804.2528 13.3950 13.3745 PRESSURE: 2165200 -73.6885 73.8753 -80.7696 73.8744 -67.4381 36.0023 -80.7694 36.0014 51.2687 GPRESSURE: 2165200 1.17659 41.2151 -94.0926 139.983 -41.3215 112.657 -96.7351 16.1481 40.8395 PRESSAVG: 2165200 -35.1026 53.011 -24.8246 53.011 0.965223 9.19198 -24.8246 9.19204 15.2169 GPRESSAVG: 2165200 -34.8833 53.2284 -25.0528 51.4718 1.76787 8.48821 -25.5806 9.79645 14.7598 TIMING: 2165200 CPU: 6282.19, 0.00290304/step Wall: 6282.19, 0.00290304/step, 2.28598 hours remaining, 207.359375 MB of memory in use. ENERGY: 2165200 716.7182 2106.3673 1990.2854 115.2682 -205926.3438 17578.9616 0.0000 0.0000 34411.9327 -149006.8106 300.5280 -183418.7432 -148907.8526 300.0257 -29.9526 0.2315 558054.1026 -6.3068 -6.1186 PRESSURE: 2165400 -42.2642 75.2098 -139.827 75.2093 -85.8285 -8.83703 -139.827 -8.83779 -214.929 GPRESSURE: 2165400 -4.53228 44.5035 -127.5 172.446 -20.7389 -109.709 -28.6788 11.8045 -224.383 PRESSAVG: 2165400 57.829 64.5124 -25.272 64.5123 -7.47636 -13.7893 -25.2718 -13.7893 -9.85973 GPRESSAVG: 2165400 57.0114 65.5298 -25.7115 64.7681 -6.67458 -13.9545 -22.513 -13.1522 -9.78942 TIMING: 2165400 CPU: 6282.77, 0.00290894/step Wall: 6282.77, 0.00290894/step, 2.29047 hours remaining, 207.359375 MB of memory in use. ENERGY: 2165400 744.6862 2081.5924 1999.6622 123.4575 -206229.3429 17689.5971 0.0000 0.0000 34475.5848 -149114.7626 301.0839 -183590.3474 -149021.0081 300.6529 -114.3405 -83.2180 557395.5890 13.4977 13.5158 PRESSURE: 2165600 -48.8246 -55.0714 147.599 -55.0703 86.3439 -30.818 147.599 -30.8179 -21.1219 GPRESSURE: 2165600 -63.8872 -88.4455 62.2588 46.193 113.695 -40.6407 174.999 -58.1536 58.0648 PRESSAVG: 2165600 23.9205 54.0654 0.529152 54.0654 48.2013 24.8883 0.529159 24.8883 -57.5429 GPRESSAVG: 2165600 23.5087 53.7087 0.366299 54.9438 48.1092 24.627 -0.0285405 23.8751 -57.0167 TIMING: 2165600 CPU: 6283.35, 0.00291518/step Wall: 6283.35, 0.00291518/step, 2.29522 hours remaining, 207.359375 MB of memory in use. ENERGY: 2165600 773.7805 2081.6509 1942.3268 111.2404 -206562.0441 18023.0896 0.0000 0.0000 34325.5417 -149304.4143 299.7735 -183629.9560 -149204.0709 300.1395 5.4658 35.9576 556531.4627 4.8596 4.8671 PRESSURE: 2165800 61.4412 15.7588 -60.2953 15.7589 -118.045 -111.602 -60.2946 -111.601 75.2701 GPRESSURE: 2165800 107.816 15.1731 -19.1186 26.0469 -127.519 -92.0112 -110.576 -157.815 129.423 PRESSAVG: 2165800 15.0541 -45.0888 12.9265 -45.0887 -66.2609 7.10141 12.9266 7.10131 68.2707 GPRESSAVG: 2165800 16.3594 -44.5067 12.0926 -44.5997 -67.043 7.71339 13.8226 6.63155 67.5895 TIMING: 2165800 CPU: 6283.93, 0.00291171/step Wall: 6283.93, 0.00291171/step, 2.29232 hours remaining, 207.359375 MB of memory in use. ENERGY: 2165800 709.5885 2152.6842 1965.1128 118.9936 -206197.0523 17731.8810 0.0000 0.0000 34250.0153 -149268.7769 299.1139 -183518.7922 -149175.4334 299.3281 6.2222 36.5735 557497.6143 5.6880 5.6353 PRESSURE: 2166000 -532.26 10.7116 100.347 10.7113 -273.649 -19.2861 100.346 -19.2856 -330.752 GPRESSURE: 2166000 -497.844 -1.15691 91.4555 7.81225 -226.453 -40.2269 113.865 91.7859 -321.26 PRESSAVG: 2166000 -20.4687 33.1725 -21.6102 33.1725 -15.6648 24.6419 -21.6102 24.6419 7.35808 GPRESSAVG: 2166000 -21.2274 32.425 -21.5407 32.5492 -14.5568 24.3319 -21.8014 26.1857 7.33059 TIMING: 2166000 CPU: 6284.51, 0.00290006/step Wall: 6284.51, 0.00290006/step, 2.28299 hours remaining, 207.359375 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: 2166000 742.7487 2094.7657 1950.9976 109.2013 -205634.2095 17192.3552 0.0000 0.0000 34128.1948 -149415.9462 298.0500 -183544.1409 -149317.4004 299.0404 -378.8870 -348.5190 558307.3285 -9.5918 -9.4846 PRESSURE: 2166200 125.285 148.171 71.8072 148.171 362.244 -16.5149 71.8078 -16.5124 276.263 GPRESSURE: 2166200 156.251 124.981 4.12306 190.631 402.952 -54.4691 104.359 -22.4362 311.278 PRESSAVG: 2166200 -54.0113 41.003 27.7762 41.0029 66.2801 -36.3266 27.7763 -36.3266 -36.2871 GPRESSAVG: 2166200 -54.1628 42.3554 27.3803 40.4689 66.1227 -34.8499 27.7435 -36.7013 -35.5959 TIMING: 2166200 CPU: 6285.09, 0.00289601/step Wall: 6285.09, 0.00289601/step, 2.27964 hours remaining, 207.562500 MB of memory in use. ENERGY: 2166200 726.8087 2127.4331 1950.6318 106.5356 -206562.7612 18118.0383 0.0000 0.0000 34174.3631 -149358.9506 298.4532 -183533.3138 -149266.9607 298.4268 254.5972 290.1600 556524.1766 -8.0061 -7.8787 PRESSURE: 2166400 -256.252 -99.2938 196.871 -99.2945 241.711 -152.407 196.87 -152.407 55.9168 GPRESSURE: 2166400 -206.691 -113.873 207.748 -86.9914 258.579 -92.8799 168.632 -113.961 97.3324 PRESSAVG: 2166400 35.5288 17.7127 22.0127 17.7128 -40.1469 11.8659 22.0126 11.866 -27.9951 GPRESSAVG: 2166400 37.6136 15.4045 24.4149 19.0628 -40.9602 11.9776 20.351 13.019 -28.9864 TIMING: 2166400 CPU: 6285.67, 0.0029083/step Wall: 6285.67, 0.0029083/step, 2.28916 hours remaining, 207.761719 MB of memory in use. ENERGY: 2166400 748.1475 2103.4231 1928.5908 111.1423 -206527.5917 17929.3756 0.0000 0.0000 34367.4737 -149339.4388 300.1397 -183706.9125 -149245.1139 298.4360 13.7920 49.7400 556917.4746 -10.8710 -10.7777 PRESSURE: 2166600 95.9564 -86.356 -50.7842 -86.3544 -12.1013 153.416 -50.7854 153.418 154.715 GPRESSURE: 2166600 112.699 -111.005 45.6892 -78.6105 34.1468 182.814 -65.8892 159.216 210.949 PRESSAVG: 2166600 -58.5822 28.4035 38.747 28.4036 -35.5509 26.0058 38.7471 26.0058 82.7073 GPRESSAVG: 2166600 -61.7768 29.6355 38.0699 28.5691 -33.9542 24.7135 39.68 24.5566 84.2405 TIMING: 2166600 CPU: 6286.26, 0.00290257/step Wall: 6286.26, 0.00290257/step, 2.28449 hours remaining, 207.761719 MB of memory in use. ENERGY: 2166600 754.7663 2059.8859 1970.5868 119.5165 -206475.2216 18028.4969 0.0000 0.0000 34209.3384 -149332.6309 298.7587 -183541.9692 -149233.3959 298.9038 79.5232 119.2651 556678.1768 -3.8086 -3.8302 PRESSURE: 2166800 -24.624 187.901 -28.4304 187.901 365.787 26.5898 -28.4308 26.5902 87.7681 GPRESSURE: 2166800 11.9331 195.97 -80.783 125.895 438.297 26.3664 24.1776 -8.29469 95.7244 PRESSAVG: 2166800 -9.85468 1.57128 -2.96208 1.57121 4.60741 -7.3475 -2.96203 -7.3475 21.1434 GPRESSAVG: 2166800 -8.26385 1.80761 -2.77414 1.02287 3.65389 -6.66262 -3.41837 -5.52601 20.299 TIMING: 2166800 CPU: 6286.83, 0.00289109/step Wall: 6286.83, 0.00289109/step, 2.27529 hours remaining, 207.761719 MB of memory in use. ENERGY: 2166800 770.7866 2057.3478 1943.7803 113.2081 -206547.1048 18220.3713 0.0000 0.0000 34103.8108 -149337.7997 297.8371 -183441.6106 -149242.7046 298.6018 142.9769 181.9850 557532.2851 5.2987 5.2297 PRESSURE: 2167000 -91.6913 42.9823 -197.272 42.9813 -231.65 143.374 -197.272 143.374 19.1147 GPRESSURE: 2167000 -75.1527 -16.9977 -169.221 65.7695 -146.09 151.502 -255.425 158.552 34.6228 PRESSAVG: 2167000 16.567 26.8652 -30.8003 26.8651 -32.0184 -13.7141 -30.8002 -13.714 -17.7946 GPRESSAVG: 2167000 16.6415 25.8494 -32.1125 25.4167 -31.3886 -13.8497 -31.4933 -14.8912 -18.4761 TIMING: 2167000 CPU: 6287.42, 0.00291295/step Wall: 6287.42, 0.00291295/step, 2.29233 hours remaining, 207.761719 MB of memory in use. ENERGY: 2167000 745.4589 2014.9811 1972.8860 117.1910 -205902.2071 17551.7008 0.0000 0.0000 34372.6958 -149127.2935 300.1853 -183499.9893 -149033.1610 299.1458 -101.4087 -62.2065 557102.8572 -11.0820 -11.0744 PRESSURE: 2167200 -12.6083 -80.3053 10.5104 -80.3051 85.3198 146.58 10.5111 146.582 -10.649 GPRESSURE: 2167200 -15.3489 -72.4888 12.322 -40.2734 158.436 86.2369 -28.0588 176.398 6.99532 PRESSAVG: 2167200 -15.7499 34.8074 -2.8211 34.8075 28.1886 -19.1499 -2.82102 -19.1498 -27.0354 GPRESSAVG: 2167200 -15.9827 35.8367 -3.26557 36.5194 27.5502 -20.3425 -0.276972 -18.791 -26.2427 TIMING: 2167200 CPU: 6287.99, 0.00288471/step Wall: 6287.99, 0.00288471/step, 2.26995 hours remaining, 207.761719 MB of memory in use. ENERGY: 2167200 732.4981 2095.8509 1954.6289 102.3813 -206355.3569 17961.1926 0.0000 0.0000 34466.6642 -149042.1408 301.0060 -183508.8050 -148941.8644 300.1191 20.6875 50.0276 556373.0066 -4.8656 -4.8917 PRESSURE: 2167400 -178.057 -78.7142 -141.114 -78.715 -68.1397 -67.9454 -141.114 -67.9455 -52.7806 GPRESSURE: 2167400 -89.2747 -100.317 -198.552 -78.8145 -64.7876 -14.3109 -71.9915 -45.3648 -62.8476 PRESSAVG: 2167400 -14.2806 11.4551 -47.4636 11.455 6.99202 -42.2013 -47.4635 -42.2013 49.9097 GPRESSAVG: 2167400 -14.5316 11.9444 -47.6342 10.518 6.2073 -39.1304 -46.6337 -42.645 50.7918 TIMING: 2167400 CPU: 6288.57, 0.00288175/step Wall: 6288.57, 0.00288175/step, 2.26746 hours remaining, 207.761719 MB of memory in use. ENERGY: 2167400 793.0371 2030.4235 1969.9777 124.6507 -205558.7154 17617.3422 0.0000 0.0000 34095.7110 -148927.5733 297.7663 -183023.2843 -148832.0230 300.2644 -99.6591 -72.3033 558706.4225 14.2070 14.1558 PRESSURE: 2167600 241.683 -153.318 145.765 -153.318 -192.202 89.6174 145.765 89.6182 -28.2271 GPRESSURE: 2167600 223.224 -98.6194 95.0812 -150.19 -102.074 -5.02224 165.127 113.165 -15.328 PRESSAVG: 2167600 32.1079 -91.7868 19.0877 -91.7867 -32.0726 -37.6249 19.0877 -37.6248 -16.179 GPRESSAVG: 2167600 31.0371 -90.6963 19.5318 -90.6057 -30.8263 -40.8814 16.6509 -37.2969 -16.3517 TIMING: 2167600 CPU: 6289.15, 0.00288995/step Wall: 6289.15, 0.00288994/step, 2.27374 hours remaining, 207.761719 MB of memory in use. ENERGY: 2167600 670.0796 2101.1638 1935.8365 111.4861 -205713.0818 17550.6161 0.0000 0.0000 34386.7048 -148957.1948 300.3076 -183343.8996 -148861.0182 300.2700 7.0845 35.2739 557484.1741 -5.3812 -5.3803 PRESSURE: 2167800 -110.908 -87.5596 -30.7601 -87.5585 112.4 33.2633 -30.759 33.2619 -167.401 GPRESSURE: 2167800 -129.846 -2.1667 -54.7345 -60.2189 178.091 108.087 -28.7505 -29.2729 -128.875 PRESSAVG: 2167800 15.7133 13.2303 9.35687 13.2302 42.0781 22.195 9.35686 22.195 -71.8773 GPRESSAVG: 2167800 16.3498 11.8268 9.48631 12.4928 42.272 24.0919 9.74748 21.2387 -72.6152 TIMING: 2167800 CPU: 6289.73, 0.00289924/step Wall: 6289.73, 0.00289924/step, 2.28089 hours remaining, 207.761719 MB of memory in use. ENERGY: 2167800 701.8744 2126.6927 1997.7908 99.7495 -206033.1808 17717.1696 0.0000 0.0000 34186.7174 -149203.1865 298.5611 -183389.9039 -149107.2309 298.9477 -55.3028 -26.8769 557535.7926 -4.6953 -4.6645 PRESSURE: 2168000 -84.772 -96.0612 -137.008 -96.0611 127.412 154.035 -137.008 154.034 39.3272 GPRESSURE: 2168000 24.019 -19.0477 -69.6626 -75.0922 146.05 124.851 -141.523 211.964 6.8282 PRESSAVG: 2168000 -10.4004 -4.19697 -48.37 -4.19701 -13.801 -5.22565 -48.37 -5.22561 -2.16123 GPRESSAVG: 2168000 -10.9518 -2.74778 -48.3932 -4.82926 -13.4165 -7.3511 -48.9464 -4.80575 -1.61295 TIMING: 2168000 CPU: 6290.3, 0.00286954/step Wall: 6290.3, 0.00286954/step, 2.25737 hours remaining, 207.761719 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: 2168000 711.9312 2069.8910 1967.9967 101.2149 -206313.4439 17970.5591 0.0000 0.0000 34133.8319 -149358.0191 298.0992 -183491.8511 -149265.9721 298.6752 27.3224 58.9658 560034.9816 -8.7875 -8.6604 PRESSURE: 2168200 -90.1975 -195.179 -15.4001 -195.18 -65.711 -36.8273 -15.4006 -36.8299 -11.2154 GPRESSURE: 2168200 -35.7967 -118.421 -40.5515 -251.588 -64.3329 -93.2372 22.4341 11.4319 26.8122 PRESSAVG: 2168200 2.51803 -46.2678 7.01379 -46.2679 -41.4291 4.6401 7.01392 4.64002 53.3808 GPRESSAVG: 2168200 3.04437 -46.2087 5.2691 -46.3866 -40.9406 3.25054 7.96989 6.3935 52.3556 TIMING: 2168200 CPU: 6290.88, 0.00290389/step Wall: 6290.88, 0.00290389/step, 2.28423 hours remaining, 207.761719 MB of memory in use. ENERGY: 2168200 743.8575 2134.3226 1974.7895 111.4984 -206552.0461 18033.8486 0.0000 0.0000 33990.4791 -149563.2503 296.8473 -183553.7294 -149467.6522 298.6287 -55.7080 -24.4391 559535.2807 4.8232 4.8198 LDB: ============= START OF LOAD BALANCING ============== 6294.35 LDB: ============== END OF LOAD BALANCING =============== 6294.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6294.35 LDB: ============= START OF LOAD BALANCING ============== 6294.64 LDB: Largest compute 4821 load 0.030591 is 26.0% of average load 0.117658 LDB: Average compute 0.001722 is 1.5% of average load 0.117658 LDB: TIME 6294.64 LOAD: AVG 0.117658 MAX 0.177441 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 6294.64 LOAD: AVG 0.117658 MAX 0.177441 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.75 MB LDB: TIME 6294.64 LOAD: AVG 0.117658 MAX 0.177441 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.75 MB LDB: ============== END OF LOAD BALANCING =============== 6294.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6294.65 PRESSURE: 2168400 -67.289 40.425 -19.5277 40.4263 218.412 67.5286 -19.5283 67.5273 -146.912 GPRESSURE: 2168400 -72.3287 -23.8859 39.5919 47.7764 234.148 115.801 -47.9065 12.4294 -53.2529 PRESSAVG: 2168400 -46.308 2.53223 -21.0478 2.53219 -60.6147 11.375 -21.0478 11.375 77.5411 GPRESSAVG: 2168400 -46.1357 1.90731 -20.516 3.39745 -62.8546 14.5302 -18.784 7.79568 78.969 TIMING: 2168400 CPU: 6291.47, 0.00295718/step Wall: 6291.47, 0.00295718/step, 2.32598 hours remaining, 204.863281 MB of memory in use. ENERGY: 2168400 733.8739 2078.3960 1967.6045 106.1219 -206134.6648 17701.8997 0.0000 0.0000 34228.0023 -149318.7665 298.9217 -183546.7689 -149221.0991 298.4872 1.4036 36.1888 558796.7236 -9.7939 -10.0071 PRESSURE: 2168600 -21.5345 35.0509 -84.0339 35.0511 -76.7823 68.0065 -84.0348 68.0073 2.96483 GPRESSURE: 2168600 -40.4882 -55.9637 -24.7347 35.7864 -17.7599 0.629591 -158.823 100.333 62.7397 PRESSAVG: 2168600 3.79495 23.8854 -22.7638 23.8853 -45.922 3.89182 -22.7638 3.89188 2.54255 GPRESSAVG: 2168600 3.8675 24.9715 -21.7354 23.6974 -45.6169 1.74985 -24.8059 7.3305 1.97846 TIMING: 2168600 CPU: 6292.06, 0.00291562/step Wall: 6292.06, 0.00291562/step, 2.29314 hours remaining, 205.062500 MB of memory in use. ENERGY: 2168600 728.5757 2170.2371 1966.6062 102.3795 -205932.3592 17678.8598 0.0000 0.0000 33954.6971 -149331.0038 296.5348 -183285.7009 -149237.0421 298.9754 -31.7840 1.4972 559290.6385 -13.1948 -13.2570 PRESSURE: 2168800 -172.634 14.5183 -159.322 14.5172 7.14061 20.1185 -159.321 20.1183 -381.273 GPRESSURE: 2168800 -70.2317 95.9631 -166.459 -8.74983 -78.6515 -21.8984 -135.27 -22.5096 -291.374 PRESSAVG: 2168800 23.9689 58.4948 -27.257 58.4948 -21.4113 -9.89243 -27.257 -9.89245 15.7891 GPRESSAVG: 2168800 23.5852 55.9393 -26.9679 61.4255 -20.8745 -9.09422 -28.7698 -12.1155 15.6877 TIMING: 2168800 CPU: 6292.64, 0.00292748/step Wall: 6292.64, 0.00292748/step, 2.3023 hours remaining, 205.062500 MB of memory in use. ENERGY: 2168800 734.9452 2100.5123 1998.8236 124.0161 -205842.9084 17309.7935 0.0000 0.0000 34083.1260 -149491.6917 297.6564 -183574.8177 -149395.2776 298.1345 -182.2553 -146.7523 557653.2418 6.1156 6.1328 PRESSURE: 2169000 284.099 7.45732 -192.971 7.45855 -427.448 109.986 -192.972 109.986 -129.587 GPRESSURE: 2169000 267.889 8.07738 -223.972 16.5227 -350.05 127.449 -191.643 72.5104 -86.5006 PRESSAVG: 2169000 -18.4406 49.2137 28.3636 49.2138 24.5501 -24.0432 28.3636 -24.0432 -10.9728 GPRESSAVG: 2169000 -18.3041 50.6049 28.6556 47.4809 24.6547 -23.1473 27.9603 -23.8325 -11.3547 TIMING: 2169000 CPU: 6293.22, 0.00291362/step Wall: 6293.22, 0.00291362/step, 2.29124 hours remaining, 205.062500 MB of memory in use. ENERGY: 2169000 743.1485 2101.8755 1968.0136 125.2854 -206277.0631 17791.1710 0.0000 0.0000 34087.4570 -149460.1120 297.6942 -183547.5690 -149360.3784 297.9339 -90.9785 -56.2205 558386.7118 -1.6211 -1.6680 PRESSURE: 2169200 230.17 -90.6428 1.55992 -90.6427 -38.6119 43.909 1.56 43.9077 -63.8063 GPRESSURE: 2169200 248.38 -91.9778 -42.8843 -68.0008 6.04954 -59.7128 -56.4129 89.3022 -29.8099 PRESSAVG: 2169200 81.3584 51.171 -75.228 51.1709 -35.7258 -29.8281 -75.228 -29.8282 -16.1102 GPRESSAVG: 2169200 81.7549 51.4261 -75.7825 50.7902 -35.3548 -31.1805 -72.8019 -30.6509 -17.0191 TIMING: 2169200 CPU: 6293.8, 0.00288605/step Wall: 6293.8, 0.00288605/step, 2.2694 hours remaining, 205.062500 MB of memory in use. ENERGY: 2169200 734.0528 2054.9134 1976.7438 111.0817 -206009.8419 17721.0849 0.0000 0.0000 33970.1107 -149441.8547 296.6694 -183411.9654 -149353.6383 297.8325 42.5839 74.8734 557064.7111 9.8408 9.7937 PRESSURE: 2169400 180.336 -20.3464 -241.895 -20.3464 -43.2473 196.254 -241.895 196.253 109.041 GPRESSURE: 2169400 214.678 8.74668 -148.648 -36.8133 -40.516 228.063 -163.544 249.259 177.025 PRESSAVG: 2169400 112.212 -20.8842 -27.1896 -20.8843 -60.2258 40.4239 -27.1896 40.4238 -80.528 GPRESSAVG: 2169400 110.561 -20.3939 -26.4788 -20.662 -61.5988 41.6488 -27.1323 42.0835 -77.56 TIMING: 2169400 CPU: 6294.38, 0.00289816/step Wall: 6294.38, 0.00289816/step, 2.27876 hours remaining, 205.062500 MB of memory in use. ENERGY: 2169400 729.6748 2072.1429 1985.0683 116.7226 -206312.8594 17957.7788 0.0000 0.0000 33976.7220 -149474.7499 296.7272 -183451.4719 -149381.9603 298.3093 82.0433 117.0623 557231.8832 -9.5141 -9.5325 PRESSURE: 2169600 63.8518 -44.545 -5.17993 -44.543 -3.0739 -17.3291 -5.17846 -17.3296 -155.97 GPRESSURE: 2169600 48.5454 -44.631 -24.8755 -33.8682 70.5995 -1.79752 -21.6883 56.5805 -116.32 PRESSAVG: 2169600 60.0871 -2.07234 -37.3246 -2.07225 39.1161 54.6484 -37.3245 54.6484 -54.4766 GPRESSAVG: 2169600 62.1215 -1.70484 -38.4194 -2.74118 40.3484 54.2813 -39.0118 53.27 -58.0487 TIMING: 2169600 CPU: 6294.96, 0.00287944/step Wall: 6294.96, 0.00287944/step, 2.26388 hours remaining, 205.062500 MB of memory in use. ENERGY: 2169600 713.6409 2073.3345 1956.9750 102.0050 -206281.2400 17719.2721 0.0000 0.0000 34315.5064 -149400.5061 299.6859 -183716.0125 -149305.5791 298.6205 -31.7308 0.9417 556628.5098 14.9089 14.8071 PRESSURE: 2169800 136.907 -106.751 39.1459 -106.75 124.67 211.988 39.146 211.988 115.519 GPRESSURE: 2169800 176.362 -55.8468 8.2759 -78.322 149.004 178.004 55.0234 142.875 127.767 PRESSAVG: 2169800 34.4429 38.3711 59.9386 38.3712 14.619 -3.82209 59.9387 -3.82214 -44.3615 GPRESSAVG: 2169800 33.851 36.9071 58.9117 40.1671 14.0362 -3.50417 60.319 -2.37995 -42.6735 TIMING: 2169800 CPU: 6295.54, 0.00289577/step Wall: 6295.54, 0.00289577/step, 2.27656 hours remaining, 205.062500 MB of memory in use. ENERGY: 2169800 707.9065 2141.1206 1976.1538 113.0415 -206429.8756 17791.0199 0.0000 0.0000 34325.0577 -149375.5755 299.7693 -183700.6333 -149279.4725 298.6098 125.6988 151.0441 556028.9859 1.5668 1.7379 PRESSURE: 2170000 -42.0734 72.3463 -67.0413 72.3467 171.302 63.5287 -67.0415 63.5286 -201.525 GPRESSURE: 2170000 -56.0349 46.6827 -10.6802 50.2194 175.946 60.4339 -119.969 -28.5747 -109.392 PRESSAVG: 2170000 35.1296 35.4162 -0.287192 35.4161 47.7452 74.4911 -0.287205 74.4909 -47.1081 GPRESSAVG: 2170000 34.2321 35.2456 3.15788 35.4103 48.314 74.0734 -1.6269 72.9029 -46.8459 TIMING: 2170000 CPU: 6296.12, 0.00290853/step Wall: 6296.12, 0.00290853/step, 2.28642 hours remaining, 205.062500 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: 2170000 740.6102 2117.3984 1964.2218 112.6689 -206258.3055 17761.6596 0.0000 0.0000 34345.1110 -149216.6355 299.9444 -183561.7465 -149125.6861 298.9870 -24.0986 3.5065 557844.2172 11.9222 11.9001 PRESSURE: 2170200 -280.597 -99.6803 -22.3677 -99.6801 -128.724 224.02 -22.3674 224.02 61.791 GPRESSURE: 2170200 -270.432 -57.968 7.58637 -46.5432 -70.089 286.642 -18.8058 155.389 101.079 PRESSAVG: 2170200 -0.215989 0.623802 -0.559326 0.623887 -10.0792 -23.0354 -0.559263 -23.0354 -36.2585 GPRESSAVG: 2170200 0.347143 2.69804 -3.53201 -1.79601 -10.2163 -21.3037 1.00164 -22.7246 -36.7704 TIMING: 2170200 CPU: 6296.7, 0.00290568/step Wall: 6296.7, 0.00290568/step, 2.28402 hours remaining, 205.062500 MB of memory in use. ENERGY: 2170200 747.7450 2093.8653 1983.2872 128.5296 -206327.3519 17854.5326 0.0000 0.0000 34184.2050 -149335.1872 298.5392 -183519.3922 -149235.0928 299.1131 -115.8434 -79.8140 559285.5434 -15.5179 -15.5465 PRESSURE: 2170400 58.4414 0.969447 80.7206 0.969334 -15.8824 110.32 80.7203 110.32 28.7543 GPRESSURE: 2170400 65.9737 -32.3727 135.706 24.4427 34.5722 161.675 68.1722 64.2311 66.7514 PRESSAVG: 2170400 -14.4263 62.0672 -4.34698 62.0672 -13.8148 -8.31688 -4.34698 -8.31688 -23.9834 GPRESSAVG: 2170400 -14.3735 59.0799 -3.56444 64.597 -14.6706 -9.59754 -6.20362 -7.60316 -23.2045 TIMING: 2170400 CPU: 6297.28, 0.00290498/step Wall: 6297.28, 0.00290498/step, 2.28331 hours remaining, 205.062500 MB of memory in use. ENERGY: 2170400 733.4696 2147.6097 1992.4731 119.6856 -206064.3812 17834.9131 0.0000 0.0000 33975.6792 -149260.5509 296.7181 -183236.2301 -149167.2220 298.5946 23.7711 55.7658 557274.0996 -17.4082 -17.4162 PRESSURE: 2170600 -143.556 150.427 -50.1308 150.428 48.8509 -57.0405 -50.1301 -57.0392 -111.814 GPRESSURE: 2170600 -33.0152 110.945 -12.2558 103.455 50.4217 -53.6243 -57.3568 -8.76155 -119.986 PRESSAVG: 2170600 43.0264 15.144 -6.60046 15.1441 54.2056 50.8443 -6.60045 50.8443 -85.4906 GPRESSAVG: 2170600 44.0468 16.4884 -6.18256 13.9437 53.7402 51.4991 -4.83762 49.5425 -85.8872 TIMING: 2170600 CPU: 6297.86, 0.00290919/step Wall: 6297.86, 0.00290919/step, 2.28646 hours remaining, 205.062500 MB of memory in use. ENERGY: 2170600 782.1925 2126.8572 1938.1724 105.3927 -206282.0178 17830.9529 0.0000 0.0000 34211.8325 -149286.6176 298.7804 -183498.4501 -149187.8091 299.5277 -68.8398 -34.1931 556177.9676 3.9138 3.9666 PRESSURE: 2170800 -272.542 -192.328 -28.4984 -192.328 -76.9823 -253.588 -28.4977 -253.586 -120.134 GPRESSURE: 2170800 -321.681 -136.579 -5.35357 -250.045 -37.1677 -321.42 5.27868 -239.146 -22.1542 PRESSAVG: 2170800 -15.4905 27.113 14.3416 27.113 28.4527 11.3614 14.3416 11.3613 -13.9874 GPRESSAVG: 2170800 -14.4816 28.6536 14.6443 25.1468 29.6897 10.9644 14.0144 11.5917 -16.4746 TIMING: 2170800 CPU: 6298.44, 0.00290633/step Wall: 6298.44, 0.00290633/step, 2.28405 hours remaining, 205.062500 MB of memory in use. ENERGY: 2170800 727.6928 2151.8851 1978.6335 133.1252 -205920.9400 17636.8660 0.0000 0.0000 33895.2136 -149397.5238 296.0153 -183292.7374 -149300.8783 298.8606 -156.5527 -127.0011 558842.5977 -0.3417 -0.4222 PRESSURE: 2171000 -26.9173 -40.2595 -8.48304 -40.2598 -46.5932 -49.4675 -8.48248 -49.4667 -169.215 GPRESSURE: 2171000 60.9739 -25.4038 -19.6541 -114.267 -2.17136 -41.7076 20.0899 -5.58806 -206.185 PRESSAVG: 2171000 -39.2607 -14.5163 -4.2178 -14.5162 15.7345 -39.0605 -4.21781 -39.0604 66.5044 GPRESSAVG: 2171000 -40.1396 -16.5201 -4.23508 -14.0881 13.9046 -38.0847 -3.62316 -38.0282 68.7959 TIMING: 2171000 CPU: 6299.02, 0.00287819/step Wall: 6299.02, 0.00287819/step, 2.26178 hours remaining, 205.062500 MB of memory in use. ENERGY: 2171000 760.9022 2123.1087 1966.0758 101.9645 -206554.3335 17783.6732 0.0000 0.0000 34231.1442 -149587.4650 298.9491 -183818.6091 -149495.8033 298.4395 -80.9084 -49.1275 556404.8587 14.3260 14.1870 PRESSURE: 2171200 -7.17716 162.823 18.6963 162.823 -38.7587 122.388 18.6977 122.387 -360.717 GPRESSURE: 2171200 23.0025 113.535 19.5583 142.707 64.1005 71.809 -24.8758 117.034 -386.687 PRESSAVG: 2171200 -65.3273 -30.0057 -24.118 -30.0056 38.3126 47.4074 -24.118 47.4074 42.9693 GPRESSAVG: 2171200 -65.5639 -29.6022 -21.9018 -28.7969 39.0042 45.9074 -26.4334 46.085 42.7308 TIMING: 2171200 CPU: 6299.6, 0.0029081/step Wall: 6299.6, 0.0029081/step, 2.28512 hours remaining, 205.062500 MB of memory in use. ENERGY: 2171200 762.8081 2128.8160 1988.0990 111.9345 -206221.9672 17704.6965 0.0000 0.0000 33802.5475 -149723.0656 295.2061 -183525.6131 -149631.3380 297.5917 -135.5511 -99.8614 557502.0219 5.3182 5.3904 PRESSURE: 2171400 28.4505 112.497 -85.3241 112.496 138.639 65.5514 -85.3252 65.5518 227.398 GPRESSURE: 2171400 84.4842 64.9532 3.92462 66.7534 101.913 73.8206 -116.236 33.7203 307.326 PRESSAVG: 2171400 -28.0805 12.0256 -27.4552 12.0255 -16.5056 0.208233 -27.4552 0.208193 33.6381 GPRESSAVG: 2171400 -27.5615 13.3258 -29.3182 11.5425 -17.4579 0.465584 -25.073 2.88479 33.9999 TIMING: 2171400 CPU: 6300.18, 0.00291232/step Wall: 6300.18, 0.00291232/step, 2.28827 hours remaining, 205.062500 MB of memory in use. ENERGY: 2171400 725.7384 2111.9185 1985.4676 115.1593 -206933.7826 17927.6736 0.0000 0.0000 34338.9590 -149728.8661 299.8907 -184067.8251 -149628.6973 297.6510 131.4958 164.5743 555455.4207 -3.6493 -3.6732 PRESSURE: 2171600 194.859 19.0414 27.9281 19.0415 -98.6548 -112.974 27.9286 -112.974 87.1426 GPRESSURE: 2171600 167.278 -0.814328 -32.4702 22.1788 -66.4038 -89.7783 25.5327 -170.584 174.204 PRESSAVG: 2171600 -9.09742 5.6708 0.221169 5.67079 15.8354 -21.157 0.221269 -21.1572 -60.0917 GPRESSAVG: 2171600 -9.83853 3.87495 -0.621216 5.13818 16.4889 -21.1822 0.107257 -24.093 -59.7865 TIMING: 2171600 CPU: 6300.77, 0.00291257/step Wall: 6300.77, 0.00291257/step, 2.28831 hours remaining, 205.062500 MB of memory in use. ENERGY: 2171600 732.6565 2071.3349 1970.5043 127.7390 -206643.4253 17949.8993 0.0000 0.0000 34294.6935 -149496.5977 299.5041 -183791.2912 -149403.7291 298.0097 61.1155 91.6927 556797.0480 -17.7846 -17.7120 PRESSURE: 2171800 -263.97 -141.697 -32.1645 -141.697 -7.93241 75.8651 -32.1645 75.8647 -229.235 GPRESSURE: 2171800 -182.967 -96.6247 -47.4792 -100.108 -2.64545 -8.89681 0.257565 76.391 -209.891 PRESSAVG: 2171800 14.2289 6.73005 2.20766 6.73007 59.761 14.4291 2.20759 14.429 -36.0264 GPRESSAVG: 2171800 14.6346 7.88959 2.01509 7.83732 59.136 15.1675 1.40865 14.1619 -35.9716 TIMING: 2171800 CPU: 6301.35, 0.0028976/step Wall: 6301.35, 0.0028976/step, 2.27638 hours remaining, 205.062500 MB of memory in use. ENERGY: 2171800 757.9217 2058.0258 1986.6323 119.4064 -206426.1960 17671.0209 0.0000 0.0000 34243.0566 -149590.1324 299.0531 -183833.1890 -149490.3014 298.1403 -167.0459 -131.8346 557333.2025 12.6545 12.5997 PRESSURE: 2172000 -86.4748 206.516 -62.7418 206.516 68.9658 53.2316 -62.7407 53.2318 -36.0017 GPRESSURE: 2172000 -19.2728 133.185 -162.35 205.086 64.7651 52.7632 -67.2512 84.7464 -2.07422 PRESSAVG: 2172000 -32.9756 -55.9216 -20.3382 -55.9215 28.9191 38.3991 -20.3381 38.399 20.1278 GPRESSAVG: 2172000 -32.4787 -54.3212 -19.3685 -56.9768 29.5265 38.8656 -21.2396 38.3813 18.7385 TIMING: 2172000 CPU: 6301.92, 0.00288843/step Wall: 6301.92, 0.00288843/step, 2.26903 hours remaining, 205.062500 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: 2172000 748.8492 2087.4816 1953.5739 124.5978 -206428.8599 17672.4318 0.0000 0.0000 34199.7051 -149642.2205 298.6745 -183841.9257 -149539.7831 297.6951 -17.8369 14.4727 555529.8023 5.3571 5.2621 PRESSURE: 2172200 -50.7414 -57.4805 19.0905 -57.481 -131.363 62.4068 19.0914 62.4051 -67.4717 GPRESSURE: 2172200 -0.444331 -30.3544 -16.869 -132.615 -125.598 141.234 21.2919 59.676 -24.9333 PRESSAVG: 2172200 -30.0148 17.8911 22.6042 17.8911 14.3212 23.3618 22.6043 23.3618 -4.25011 GPRESSAVG: 2172200 -31.5098 17.3445 20.4679 17.1493 15.1843 22.2564 25.4956 24.47 -3.29719 TIMING: 2172200 CPU: 6302.51, 0.00291318/step Wall: 6302.51, 0.00291318/step, 2.2883 hours remaining, 205.062500 MB of memory in use. ENERGY: 2172200 700.3686 2146.4182 1965.0209 109.1021 -206459.3251 17648.5862 0.0000 0.0000 34239.0311 -149650.7979 299.0180 -183889.8290 -149545.6912 298.1822 -83.1920 -50.3253 555364.2801 -6.6479 -6.5409 LDB: ============= START OF LOAD BALANCING ============== 6305.97 LDB: ============== END OF LOAD BALANCING =============== 6305.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6305.97 LDB: ============= START OF LOAD BALANCING ============== 6306.27 LDB: Largest compute 4821 load 0.031133 is 26.4% of average load 0.117759 LDB: Average compute 0.001730 is 1.5% of average load 0.117759 LDB: TIME 6306.27 LOAD: AVG 0.117759 MAX 0.179132 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.145 MB LDB: TIME 6306.27 LOAD: AVG 0.117759 MAX 0.179132 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.215 MB LDB: TIME 6306.27 LOAD: AVG 0.117759 MAX 0.179132 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.215 MB LDB: ============== END OF LOAD BALANCING =============== 6306.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6306.27 PRESSURE: 2172400 5.19868 -88.979 -197.904 -88.9787 -37.1737 -40.7522 -197.904 -40.7524 -129.602 GPRESSURE: 2172400 79.5879 -156.42 -178.62 -37.7574 -77.9152 -18.7514 -205.107 -30.9743 -64.6905 PRESSAVG: 2172400 -17.011 12.8076 -62.4723 12.8076 44.4197 40.3063 -62.4722 40.3064 -40.0518 GPRESSAVG: 2172400 -14.9359 13.1323 -61.2032 13.2438 43.2945 41.4978 -64.7519 40.1482 -40.8847 TIMING: 2172400 CPU: 6303.1, 0.00296712/step Wall: 6303.1, 0.00296712/step, 2.33051 hours remaining, 206.070312 MB of memory in use. ENERGY: 2172400 746.3386 2100.8200 1962.9822 106.3777 -206442.4693 17636.0544 0.0000 0.0000 34285.9589 -149603.9375 299.4278 -183889.8965 -149511.0328 298.2382 -53.8592 -21.0059 555835.6977 -4.2144 -4.1754 PRESSURE: 2172600 -40.1184 -64.2343 99.7987 -64.2335 -24.8784 43.4009 99.7978 43.4017 -273.359 GPRESSURE: 2172600 35.0567 -131.28 124.33 23.1841 -4.27119 31.1489 29.8377 137.202 -288.466 PRESSAVG: 2172600 4.7587 9.66722 -19.755 9.66723 66.8121 -31.075 -19.755 -31.0749 -29.1095 GPRESSAVG: 2172600 3.19699 8.53224 -20.2007 11.9966 68.6514 -33.1523 -18.4667 -29.8371 -29.1607 TIMING: 2172600 CPU: 6303.68, 0.00290945/step Wall: 6303.68, 0.00290945/step, 2.28505 hours remaining, 206.476562 MB of memory in use. ENERGY: 2172600 757.7924 2124.9635 1965.7213 112.8680 -206602.3876 17779.8330 0.0000 0.0000 34370.3142 -149490.8953 300.1645 -183861.2095 -149401.5825 298.0815 -112.7851 -85.8934 556706.7311 14.1538 14.2292 PRESSURE: 2172800 109.634 -27.7273 130.927 -27.7282 102.375 -37.336 130.927 -37.3372 46.6531 GPRESSURE: 2172800 157.287 -44.0727 113.986 -28.5132 88.8792 -90.584 184.571 -21.1164 105.93 PRESSAVG: 2172800 9.1411 20.4562 18.556 20.4561 -21.766 3.4647 18.556 3.46469 34.8506 GPRESSAVG: 2172800 9.76267 22.03 17.4197 18.7944 -22.4721 4.08787 18.1512 2.21475 34.9658 TIMING: 2172800 CPU: 6304.26, 0.00289537/step Wall: 6304.26, 0.00289537/step, 2.27383 hours remaining, 206.476562 MB of memory in use. ENERGY: 2172800 766.2337 2083.8746 1951.7911 106.2235 -206348.5830 17949.4708 0.0000 0.0000 34024.8228 -149466.1666 297.1472 -183490.9893 -149365.4139 298.9758 86.2206 117.3655 557263.6664 7.4086 7.4188 PRESSURE: 2173000 259.999 -12.5594 55.4222 -12.5599 26.6127 -179.168 55.4233 -179.167 0.979369 GPRESSURE: 2173000 289.633 13.352 8.79734 -11.4938 63.3245 -124.376 -26.9849 -173.944 48.175 PRESSAVG: 2173000 -16.621 -36.5425 -24.3225 -36.5425 22.7532 -26.6187 -24.3226 -26.6188 -17.8245 GPRESSAVG: 2173000 -17.2216 -36.7679 -23.7389 -35.7175 21.2796 -25.9535 -23.0276 -27.1278 -16.9843 TIMING: 2173000 CPU: 6304.84, 0.00289611/step Wall: 6304.84, 0.00289611/step, 2.27425 hours remaining, 206.476562 MB of memory in use. ENERGY: 2173000 753.5189 2188.5148 1960.4586 125.9138 -206469.3482 17975.8616 0.0000 0.0000 34101.5631 -149363.5173 297.8174 -183465.0805 -149267.2555 298.3433 95.8637 133.7110 557960.2096 -3.8974 -4.3088 PRESSURE: 2173200 85.0444 54.2377 -152.034 54.2398 -242.368 130.368 -152.032 130.367 28.3309 GPRESSURE: 2173200 94.2876 64.6107 -101.835 -7.44306 -221.131 84.0268 -154.632 65.0353 88.7751 PRESSAVG: 2173200 -7.95351 15.8702 48.8636 15.8704 -1.08491 4.64422 48.8636 4.64427 36.0901 GPRESSAVG: 2173200 -8.06531 15.6337 48.3794 15.6922 -0.165392 4.91132 48.4799 3.7027 35.2103 TIMING: 2173200 CPU: 6305.42, 0.00290465/step Wall: 6305.42, 0.00290465/step, 2.2808 hours remaining, 206.476562 MB of memory in use. ENERGY: 2173200 739.6519 2183.3375 1957.9113 112.5877 -206330.8850 18021.3470 0.0000 0.0000 34098.2078 -149217.8418 297.7881 -183316.0496 -149125.1610 298.3181 -42.9977 -12.6895 559868.9463 9.0172 8.9932 PRESSURE: 2173400 359.43 46.8418 107.437 46.842 42.6864 -198.56 107.437 -198.56 -187.147 GPRESSURE: 2173400 395.436 19.5127 166.065 74.9648 33.8324 -145.581 140.858 -147.265 -117.905 PRESSAVG: 2173400 74.3763 17.6918 2.26795 17.6918 -39.7565 -11.1195 2.26792 -11.1194 6.1031 GPRESSAVG: 2173400 74.4583 16.8853 2.15647 18.5026 -40.5706 -10.4608 1.5056 -10.6642 6.28903 TIMING: 2173400 CPU: 6306, 0.00291052/step Wall: 6306, 0.00291052/step, 2.28524 hours remaining, 206.476562 MB of memory in use. ENERGY: 2173400 754.1429 2140.0684 1967.5352 123.0292 -206372.7857 17989.9072 0.0000 0.0000 34129.2234 -149268.8794 298.0590 -183398.1029 -149176.8708 298.5436 71.6563 103.7881 558299.9058 13.5743 13.3922 PRESSURE: 2173600 261.001 56.8313 190.924 56.8313 -66.3992 -125.644 190.923 -125.644 208.47 GPRESSURE: 2173600 309.13 10.5428 132.574 27.3104 -58.9743 -162.568 214.371 -110.51 254.986 PRESSAVG: 2173600 14.4278 8.46419 79.0555 8.46421 10.7924 -17.0609 79.0554 -17.0608 25.7017 GPRESSAVG: 2173600 14.6532 9.56175 81.3401 7.92176 10.6233 -17.2426 78.348 -17.8944 25.0967 TIMING: 2173600 CPU: 6306.58, 0.00289374/step Wall: 6306.58, 0.00289374/step, 2.27191 hours remaining, 206.476562 MB of memory in use. ENERGY: 2173600 738.2634 2099.7401 1948.3165 109.2728 -206558.2154 18120.0232 0.0000 0.0000 34259.1852 -149283.4141 299.1940 -183542.5993 -149185.6924 299.4548 134.3572 168.3805 557825.3483 16.9740 16.7911 PRESSURE: 2173800 107.543 115.362 189.514 115.362 383.496 38.4612 189.513 38.4612 351.52 GPRESSURE: 2173800 149.358 163.992 211.849 98.7766 402.918 50.1271 129.717 32.428 381.868 PRESSAVG: 2173800 -19.0296 1.52681 -0.628216 1.52676 -14.5779 -51.3969 -0.628183 -51.3969 17.8577 GPRESSAVG: 2173800 -19.1064 1.32673 -1.05481 -0.218185 -13.967 -52.7313 -1.13899 -49.9032 17.3253 TIMING: 2173800 CPU: 6307.16, 0.00289729/step Wall: 6307.16, 0.00289729/step, 2.27453 hours remaining, 206.476562 MB of memory in use. ENERGY: 2173800 731.3601 2086.8133 1949.0339 118.1437 -206496.7519 18255.9676 0.0000 0.0000 34256.1030 -149099.3303 299.1671 -183355.4333 -148998.9029 298.8086 280.8528 311.3814 556707.0325 -5.2499 -5.2494 PRESSURE: 2174000 -121.615 146.254 -70.6782 146.255 87.1387 -145.111 -70.6777 -145.112 375.771 GPRESSURE: 2174000 -30.0595 97.0612 -18.7797 75.6369 115.584 -164.029 -112.424 -153.667 363.275 PRESSAVG: 2174000 20.157 -41.2229 42.7338 -41.2228 12.4615 -53.926 42.7338 -53.926 -57.6024 GPRESSAVG: 2174000 21.2625 -41.2348 43.884 -40.6359 11.5026 -52.2735 42.8574 -53.0417 -57.3509 TIMING: 2174000 CPU: 6307.75, 0.00292472/step Wall: 6307.75, 0.00292472/step, 2.2959 hours remaining, 206.476562 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: 2174000 748.4769 2076.4788 1954.7348 115.6551 -206360.2078 18031.6663 0.0000 0.0000 34437.1812 -148996.0147 300.7485 -183433.1959 -148902.3199 299.0072 113.7649 149.6000 557948.6222 -8.3280 -8.1953 PRESSURE: 2174200 -40.4312 -20.1125 98.6083 -20.1107 -340.383 182.991 98.6074 182.99 22.9521 GPRESSURE: 2174200 -26.7983 -94.9233 82.5466 52.9344 -276.106 240.573 164.312 174.861 31.7822 PRESSAVG: 2174200 -65.627 -29.0738 -30.7849 -29.0737 70.5463 57.5816 -30.7849 57.5817 64.1254 GPRESSAVG: 2174200 -66.7679 -29.4002 -32.1263 -28.4979 70.9783 55.614 -30.4108 57.8209 64.6067 TIMING: 2174200 CPU: 6308.33, 0.00289989/step Wall: 6308.33, 0.00289989/step, 2.27626 hours remaining, 206.476562 MB of memory in use. ENERGY: 2174200 770.8401 2068.2326 1977.9901 104.8811 -205686.9926 17391.4190 0.0000 0.0000 34471.1477 -148902.4820 301.0451 -183373.6297 -148804.6400 300.2254 -119.2873 -90.3742 557230.2385 23.0149 22.9390 PRESSURE: 2174400 -111.179 -114.692 -117.617 -114.691 -159.612 -93.2163 -117.617 -93.2163 -282.288 GPRESSURE: 2174400 -70.0591 -160.121 -162.323 -109.82 -189.705 -64.3711 -78.3401 -115.559 -198.814 PRESSAVG: 2174400 -38.094 -35.3754 -4.92739 -35.3753 58.069 -3.37929 -4.92735 -3.37929 -23.5866 GPRESSAVG: 2174400 -37.4057 -34.6029 -4.42631 -36.1517 57.6473 -2.68856 -3.10248 -4.26938 -23.7135 TIMING: 2174400 CPU: 6308.91, 0.00291106/step Wall: 6308.91, 0.00291106/step, 2.28486 hours remaining, 206.476562 MB of memory in use. ENERGY: 2174400 725.4066 2114.3653 1957.4984 128.9861 -205804.5465 17602.3264 0.0000 0.0000 34622.6839 -148653.2797 302.3685 -183275.9636 -148559.6247 300.1914 -184.3596 -152.8596 559241.6522 -1.2038 -1.1573 PRESSURE: 2174600 -261.63 6.44767 154.727 6.44817 -9.74123 149.868 154.727 149.87 1.4248 GPRESSURE: 2174600 -231.3 35.8668 258.882 -25.0257 42.7732 58.7805 60.2317 123.243 17.9954 PRESSAVG: 2174600 -31.6527 -83.8928 -16.5868 -83.8927 45.6791 68.3047 -16.5868 68.3047 -26.2307 GPRESSAVG: 2174600 -32.5898 -83.8366 -17.0525 -82.9562 46.2331 68.1058 -18.8295 68.6191 -25.8632 TIMING: 2174600 CPU: 6309.49, 0.00291981/step Wall: 6309.49, 0.00291981/step, 2.29157 hours remaining, 206.476562 MB of memory in use. ENERGY: 2174600 738.4783 2096.7307 1980.0146 117.6087 -205813.2893 17773.1744 0.0000 0.0000 34387.9383 -148719.3443 300.3184 -183107.2826 -148620.5612 301.3723 -89.9821 -56.8437 560516.7793 -4.0681 -4.0733 PRESSURE: 2174800 -525.893 -114.566 -29.6061 -114.567 -231.832 123.011 -29.6061 123.01 -428.52 GPRESSURE: 2174800 -474.61 -42.3231 -42.8345 -167.874 -171.281 23.7939 -72.2396 203.234 -439.183 PRESSAVG: 2174800 12.6641 4.11763 -0.24948 4.11764 27.5997 0.249028 -0.249408 0.249091 -55.1185 GPRESSAVG: 2174800 13.5332 5.43668 -1.0511 1.71236 27.1116 2.84064 -0.418602 -0.441671 -55.4172 TIMING: 2174800 CPU: 6310.07, 0.00290595/step Wall: 6310.07, 0.00290595/step, 2.28053 hours remaining, 206.476562 MB of memory in use. ENERGY: 2174800 761.5660 2069.7448 1958.2877 124.0305 -205269.4124 17177.2425 0.0000 0.0000 34255.2516 -148923.2893 299.1596 -183178.5409 -148822.4066 299.9486 -395.4151 -361.6914 559776.2502 -4.9516 -4.9241 PRESSURE: 2175000 -227.107 10.9423 -1.33658 10.9419 -218.51 -50.0661 -1.33353 -50.0673 -410.962 GPRESSURE: 2175000 -223.203 -5.48454 62.9789 11.7047 -182.254 -26.8812 -25.2328 45.4815 -355.968 PRESSAVG: 2175000 4.54232 -49.9123 5.99495 -49.9124 46.3536 -4.99686 5.99497 -4.99694 -27.6328 GPRESSAVG: 2175000 3.80746 -51.9395 7.31076 -47.0406 46.71 -5.67359 5.48378 -5.10401 -27.2628 TIMING: 2175000 CPU: 6310.65, 0.00287762/step Wall: 6310.65, 0.00287762/step, 2.25813 hours remaining, 206.476562 MB of memory in use. ENERGY: 2175000 726.7203 2121.4178 1954.6686 119.5089 -205283.3166 17266.7314 0.0000 0.0000 34310.4764 -148783.7931 299.6419 -183094.2695 -148688.8614 299.6022 -285.5265 -253.8080 559966.2145 7.7544 7.7516 PRESSURE: 2175200 -101.461 115.142 34.0959 115.143 -2.22883 -24.6419 34.0977 -24.6406 25.7603 GPRESSURE: 2175200 -95.9998 83.5004 -9.81724 86.1988 -27.7959 -119.225 1.62846 111.502 143.09 PRESSAVG: 2175200 24.4464 -36.7085 -20.7435 -36.7085 -33.6904 -33.0791 -20.7434 -33.0792 30.7653 GPRESSAVG: 2175200 24.2931 -36.0431 -23.9476 -37.2548 -34.6211 -35.3303 -19.518 -31.8304 30.9088 TIMING: 2175200 CPU: 6311.23, 0.00288552/step Wall: 6311.23, 0.00288552/step, 2.26417 hours remaining, 206.476562 MB of memory in use. ENERGY: 2175200 762.6547 2137.1912 1963.0513 120.9562 -206365.2854 18082.8717 0.0000 0.0000 34316.9201 -148981.6402 299.6982 -183298.5603 -148881.1497 299.6733 -25.9764 6.4315 559935.1921 7.1737 6.8602 PRESSURE: 2175400 -228.25 -108.46 19.6186 -108.46 -222.216 -3.25466 19.6195 -3.25448 4.63032 GPRESSURE: 2175400 -257.979 -160.132 -39.1771 -44.2954 -131.083 -9.69772 -3.31387 73.6311 41.505 PRESSAVG: 2175400 44.1358 -7.40958 -1.84225 -7.40945 -23.2102 -34.528 -1.84231 -34.5279 1.78392 GPRESSAVG: 2175400 44.4266 -7.87817 -1.02203 -7.85521 -22.7652 -32.35 -0.870176 -34.5153 0.938594 TIMING: 2175400 CPU: 6311.8, 0.00287336/step Wall: 6311.8, 0.00287336/step, 2.25447 hours remaining, 206.476562 MB of memory in use. ENERGY: 2175400 757.5219 2138.6347 1991.9493 116.3955 -206251.9093 17796.5111 0.0000 0.0000 34363.4739 -149087.4229 300.1048 -183450.8968 -148986.2053 299.2922 -148.6119 -115.8523 559191.0853 7.5698 7.5333 PRESSURE: 2175600 -323.904 -5.10175 -87.6952 -5.10198 155.327 17.4812 -87.6952 17.483 -307.863 GPRESSURE: 2175600 -259.02 -12.8999 -64.4469 -5.59624 198.555 147.596 -76.9783 -14.5701 -317.926 PRESSAVG: 2175600 -4.82279 -11.7506 -4.87075 -11.7507 -28.1045 -6.39573 -4.87081 -6.39563 -7.73649 GPRESSAVG: 2175600 -5.1708 -11.5038 -2.79102 -11.4936 -26.6589 -8.55014 -5.39919 -5.82901 -8.41227 TIMING: 2175600 CPU: 6312.38, 0.00287633/step Wall: 6312.38, 0.00287633/step, 2.25664 hours remaining, 206.476562 MB of memory in use. ENERGY: 2175600 737.8263 2186.8006 1973.9017 125.3834 -205979.0777 17556.2567 0.0000 0.0000 34212.1727 -149186.7363 298.7834 -183398.9090 -149093.8787 299.2399 -158.8135 -126.1307 557349.1424 -13.5546 -13.4140 PRESSURE: 2175800 -95.2081 55.1001 17.3395 55.1009 -155.746 -22.8525 17.3391 -22.853 -30.6401 GPRESSURE: 2175800 -47.2152 64.8289 -8.56615 132.693 -162.378 -110.204 67.4558 112.397 44.1732 PRESSAVG: 2175800 -10.2791 -19.1932 -9.32532 -19.1932 -11.6683 -10.3693 -9.32531 -10.3692 35.0403 GPRESSAVG: 2175800 -9.18722 -17.2809 -10.3909 -19.5276 -13.9042 -9.80858 -8.30006 -12.2167 36.2353 TIMING: 2175800 CPU: 6312.95, 0.00287075/step Wall: 6312.95, 0.00287075/step, 2.25211 hours remaining, 206.476562 MB of memory in use. ENERGY: 2175800 748.4485 2151.4006 1957.5414 113.9147 -206149.1767 17737.6802 0.0000 0.0000 34150.1702 -149290.0210 298.2419 -183440.1913 -149192.6992 298.8112 -93.8648 -55.1398 557068.2694 4.3643 4.3813 PRESSURE: 2176000 -194.643 94.3843 96.5707 94.3835 -174.319 -171.384 96.569 -171.385 89.7442 GPRESSURE: 2176000 -198.372 131.128 57.959 56.7584 -142.794 -188.21 98.476 -228.092 150.185 PRESSAVG: 2176000 -21.988 11.2776 12.115 11.2776 -6.53248 21.1829 12.1151 21.1829 49.4888 GPRESSAVG: 2176000 -22.4525 9.52466 11.7325 12.6359 -5.21893 23.5161 10.4402 20.0103 48.6488 TIMING: 2176000 CPU: 6313.52, 0.00287513/step Wall: 6313.52, 0.00287513/step, 2.25538 hours remaining, 206.476562 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: 2176000 762.3289 2127.0583 1963.8959 115.3272 -206071.7216 17672.2037 0.0000 0.0000 34266.6653 -149164.2423 299.2593 -183430.9076 -149066.0322 299.4000 -93.0728 -63.6603 557679.1933 6.9894 6.9925 PRESSURE: 2176200 94.0981 -69.553 -99.7266 -69.5531 -129.712 -193.03 -99.7255 -193.03 75.7923 GPRESSURE: 2176200 165.417 -60.6677 -146.203 -55.5063 -92.0496 -209.913 -37.9681 -214.673 67.0622 PRESSAVG: 2176200 49.5682 -3.27865 -40.9744 -3.27871 -7.13037 -58.5063 -40.9744 -58.5063 -14.7852 GPRESSAVG: 2176200 50.6802 -5.78296 -41.4802 -2.64209 -7.41715 -58.6195 -38.4231 -56.1146 -15.1574 TIMING: 2176200 CPU: 6314.1, 0.00289933/step Wall: 6314.1, 0.00289933/step, 2.2742 hours remaining, 206.476562 MB of memory in use. ENERGY: 2176200 756.6157 2104.2259 1959.0132 120.8629 -206274.4261 17943.6331 0.0000 0.0000 34180.9599 -149209.1154 298.5108 -183390.0753 -149105.6694 300.2076 13.3929 46.8098 557825.1129 9.2176 9.3686 LDB: ============= START OF LOAD BALANCING ============== 6317.57 LDB: ============== END OF LOAD BALANCING =============== 6317.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6317.57 LDB: ============= START OF LOAD BALANCING ============== 6317.86 LDB: Largest compute 4821 load 0.030049 is 25.5% of average load 0.117670 LDB: Average compute 0.001726 is 1.5% of average load 0.117670 LDB: TIME 6317.86 LOAD: AVG 0.11767 MAX 0.178791 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.984 MB LDB: TIME 6317.86 LOAD: AVG 0.11767 MAX 0.178791 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.984 MB LDB: TIME 6317.87 LOAD: AVG 0.11767 MAX 0.178791 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6317.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6317.87 Info: useSync: 0 useProxySync: 0 PRESSURE: 2176400 376.342 1.33497 -14.5976 1.33589 -7.56547 70.9694 -14.5984 70.9698 93.0007 GPRESSURE: 2176400 414.958 100.152 2.88791 23.2805 -2.05066 -44.9002 6.53303 44.0736 152.872 PRESSAVG: 2176400 -16.8227 65.0766 21.4657 65.0766 -49.9038 -18.3743 21.4658 -18.3743 54.4999 GPRESSAVG: 2176400 -19.4611 65.821 22.4914 62.7113 -48.4532 -19.3549 20.4184 -19.2211 56.1611 TIMING: 2176400 CPU: 6314.7, 0.00295607/step Wall: 6314.7, 0.00295607/step, 2.31855 hours remaining, 205.875000 MB of memory in use. ENERGY: 2176400 709.1625 2138.4817 1976.0500 118.8684 -206552.5917 17981.4689 0.0000 0.0000 34325.4652 -149303.0950 299.7728 -183628.5602 -149206.3014 299.2515 153.9259 188.5931 557487.5064 -4.0755 -3.9177 PRESSURE: 2176600 213.66 60.1096 75.5908 60.1089 -127.265 120.449 75.5907 120.451 -65.8788 GPRESSURE: 2176600 227.205 94.0872 138.311 48.3366 -63.2988 140.343 29.9148 43.7748 -44.9261 PRESSAVG: 2176600 25.0817 39.1099 23.0859 39.1098 -78.4257 -19.0328 23.0859 -19.0328 80.7502 GPRESSAVG: 2176600 26.6612 42.084 23.6401 38.0883 -78.7836 -19.1846 22.0538 -19.3155 79.2718 TIMING: 2176600 CPU: 6315.28, 0.00290411/step Wall: 6315.28, 0.00290411/step, 2.27763 hours remaining, 205.875000 MB of memory in use. ENERGY: 2176600 751.9674 2132.9023 1946.9774 117.1399 -206269.4775 17981.6130 0.0000 0.0000 33937.5528 -149401.3247 296.3851 -183338.8775 -149312.0449 299.0097 6.8388 39.6600 558399.7063 9.1354 9.0498 PRESSURE: 2176800 -79.0118 -200.895 90.3648 -200.894 95.4303 -34.7264 90.3644 -34.727 47.4075 GPRESSURE: 2176800 -2.92763 -228.963 -12.6317 -180.832 106.467 -65.2915 152.53 43.1867 50.1246 PRESSAVG: 2176800 -3.41245 31.7562 27.6758 31.7562 37.333 14.4023 27.6757 14.4022 -5.75319 GPRESSAVG: 2176800 -4.76594 28.7135 24.6822 33.4803 38.6356 12.4249 29.0996 18.0766 -5.59781 TIMING: 2176800 CPU: 6315.85, 0.00287488/step Wall: 6315.85, 0.00287488/step, 2.25454 hours remaining, 205.875000 MB of memory in use. ENERGY: 2176800 725.3666 2100.0849 1991.9271 113.4181 -206644.3964 18016.7695 0.0000 0.0000 34395.5412 -149301.2889 300.3848 -183696.8302 -149203.9032 298.4378 21.2753 51.2213 559304.0162 9.3891 9.4240 PRESSURE: 2177000 -69.8954 -91.2541 4.32684 -91.2538 68.0336 73.3193 4.32654 73.3213 140.398 GPRESSURE: 2177000 -23.2772 -180.112 52.2848 -63.5559 47.8918 32.7627 3.04951 140.52 202.048 PRESSAVG: 2177000 -44.2995 9.51396 18.742 9.51395 37.631 33.3108 18.7419 33.3108 -3.09674 GPRESSAVG: 2177000 -43.9852 12.1631 21.284 8.4827 37.1814 36.871 16.8215 29.1576 -3.44649 TIMING: 2177000 CPU: 6316.43, 0.00287135/step Wall: 6316.43, 0.00287135/step, 2.25162 hours remaining, 205.875000 MB of memory in use. ENERGY: 2177000 751.9659 2072.7518 1955.6164 108.0285 -206177.6313 17794.4450 0.0000 0.0000 34299.3866 -149195.4371 299.5451 -183494.8237 -149101.9123 299.7129 46.1788 75.5541 556295.5628 -3.2551 -3.4168 PRESSURE: 2177200 -112.934 -134.349 -78.3289 -134.349 -174.025 78.3761 -78.3286 78.3772 13.9294 GPRESSURE: 2177200 -94.569 -146.992 -41.8144 -216.903 -166.398 33.1339 -50.8229 52.3376 81.7093 PRESSAVG: 2177200 -20.9717 -0.167416 6.25925 -0.167412 27.5004 -24.0558 6.25918 -24.0558 -26.9379 GPRESSAVG: 2177200 -21.1411 -2.96467 6.76131 1.31262 25.7857 -25.6785 5.84635 -21.7062 -25.6636 TIMING: 2177200 CPU: 6317.01, 0.00293149/step Wall: 6317.01, 0.00293149/step, 2.29862 hours remaining, 205.875000 MB of memory in use. ENERGY: 2177200 744.7024 2132.2068 1966.6589 119.7018 -206154.7785 17702.4110 0.0000 0.0000 34179.1351 -149309.9625 298.4949 -183489.0977 -149211.1364 298.7331 -91.0098 -59.7527 557661.9585 -6.8031 -7.0063 PRESSURE: 2177400 -159.705 -20.5938 -34.1943 -20.5934 -52.1181 -37.403 -34.1933 -37.4036 -145.757 GPRESSURE: 2177400 -112.613 -18.9465 -22.4261 15.0308 15.2583 17.2429 -9.16528 -20.8487 -156.073 PRESSAVG: 2177400 27.6276 26.687 -13.5008 26.6871 -56.5159 -12.8491 -13.5007 -12.8491 -13.1507 GPRESSAVG: 2177400 29.2871 28.0241 -13.6714 24.3639 -56.6026 -13.7335 -14.4476 -13.8028 -14.2592 TIMING: 2177400 CPU: 6317.59, 0.00291411/step Wall: 6317.59, 0.00291411/step, 2.28483 hours remaining, 205.875000 MB of memory in use. ENERGY: 2177400 769.1139 2153.7071 1984.8069 120.9423 -206390.9183 17833.1908 0.0000 0.0000 34197.7943 -149331.3631 298.6578 -183529.1574 -149233.7345 299.0693 -119.1934 -84.4760 559008.2440 -14.0130 -13.8582 PRESSURE: 2177600 -25.7987 126.327 -140.911 126.328 147.661 -1.14924 -140.91 -1.14937 82.58 GPRESSURE: 2177600 31.4791 123.576 -41.6813 4.20874 131.707 48.0758 -144.736 -5.88307 145.009 PRESSAVG: 2177600 -11.6195 35.9493 -45.5991 35.9494 10.7616 -27.1315 -45.5991 -27.1315 -4.48555 GPRESSAVG: 2177600 -13.7967 36.7668 -46.2209 34.429 12.1778 -26.9997 -43.5348 -27.5716 -3.88754 TIMING: 2177600 CPU: 6318.18, 0.00290631/step Wall: 6318.18, 0.00290631/step, 2.27855 hours remaining, 205.875000 MB of memory in use. ENERGY: 2177600 771.6139 2146.2809 1950.2457 107.1471 -206178.9663 17867.9097 0.0000 0.0000 34029.0721 -149306.6970 297.1844 -183335.7691 -149211.5626 299.0509 68.1474 102.7319 556698.2677 -1.7812 -1.8355 PRESSURE: 2177800 36.5724 -78.6646 -7.11616 -78.6653 112.811 84.3092 -7.11504 84.3097 255.25 GPRESSURE: 2177800 105.886 -100.816 -26.206 -73.4769 160.839 135.866 64.7486 98.1678 252.552 PRESSAVG: 2177800 -21.3218 -20.9842 -56.4194 -20.9842 3.22295 -38.1427 -56.4193 -38.1428 16.324 GPRESSAVG: 2177800 -21.7869 -23.5616 -57.0458 -17.1621 3.48918 -36.2993 -55.9356 -37.9269 16.5182 TIMING: 2177800 CPU: 6318.76, 0.00290253/step Wall: 6318.76, 0.00290253/step, 2.27542 hours remaining, 205.875000 MB of memory in use. ENERGY: 2177800 778.4101 2098.9649 1941.1616 117.0824 -206555.8121 18102.1105 0.0000 0.0000 34238.4574 -149279.6252 299.0130 -183518.0825 -149189.3146 298.7332 134.8776 173.0922 556148.2202 -0.5916 -0.5931 PRESSURE: 2178000 -141.283 35.3424 -112.298 35.3422 -89.6139 214.562 -112.298 214.562 231.11 GPRESSURE: 2178000 -83.8509 -10.0491 -105.101 21.3073 -127.058 271.364 -64.6826 133.009 310.316 PRESSAVG: 2178000 28.9394 -12.7339 -32.7931 -12.734 -22.0109 43.9505 -32.793 43.9506 -27.7653 GPRESSAVG: 2178000 29.54 -10.9011 -32.7106 -14.3954 -23.0461 43.4255 -34.6567 44.2656 -27.283 TIMING: 2178000 CPU: 6319.34, 0.00291173/step Wall: 6319.34, 0.00291173/step, 2.28247 hours remaining, 205.875000 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: 2178000 708.5137 2107.9049 1976.1260 111.3544 -206135.1446 17718.0929 0.0000 0.0000 34317.6662 -149195.4864 299.7047 -183513.1526 -149099.1058 299.5120 0.0710 33.1357 557283.0955 -6.9456 -6.9297 PRESSURE: 2178200 401.254 34.3944 150.358 34.3938 120.039 15.5875 150.359 15.5882 123.239 GPRESSURE: 2178200 449.431 50.7728 130.79 20.2839 79.9721 -19.6678 156.256 71.3151 211.249 PRESSAVG: 2178200 59.7211 -21.6133 35.5382 -21.6133 -57.8696 40.4111 35.5382 40.4111 -6.49862 GPRESSAVG: 2178200 59.9124 -22.9814 34.832 -20.6055 -58.2273 39.4737 36.2905 39.6389 -6.88466 TIMING: 2178200 CPU: 6319.92, 0.002889/step Wall: 6319.92, 0.002889/step, 2.26449 hours remaining, 205.875000 MB of memory in use. ENERGY: 2178200 703.2055 2075.2869 1948.9349 114.2447 -206737.9706 18151.8663 0.0000 0.0000 34513.1436 -149231.2887 301.4119 -183744.4322 -149143.4320 299.3949 214.8441 246.8840 556242.1269 -1.5490 -1.7332 PRESSURE: 2178400 -6.02471 123.339 -33.6993 123.34 -103.121 66.1775 -33.6981 66.1783 179.743 GPRESSURE: 2178400 95.8593 175.966 65.4652 84.7379 -98.0732 125.86 -38.1752 -60.4173 179.953 PRESSAVG: 2178400 44.5891 33.5755 19.1424 33.5756 -65.7344 42.0076 19.1425 42.0076 -2.66993 GPRESSAVG: 2178400 45.3559 32.3668 19.8799 33.0792 -65.9107 43.1655 18.5867 41.4904 -3.13023 TIMING: 2178400 CPU: 6320.49, 0.00288647/step Wall: 6320.49, 0.00288647/step, 2.26235 hours remaining, 205.875000 MB of memory in use. ENERGY: 2178400 754.1462 2052.4790 1980.9534 120.2091 -206137.3250 17897.9567 0.0000 0.0000 34062.9619 -149268.6188 297.4803 -183331.5807 -149171.7833 298.8085 23.5322 59.2465 557471.2879 -7.9384 -7.8950 PRESSURE: 2178600 -41.6916 -157.24 -36.9571 -157.241 37.0623 -85.0535 -36.9577 -85.0504 -18.7872 GPRESSURE: 2178600 -23.8834 -109.001 -89.6771 -159.547 84.1967 -71.8337 -17.1787 -133.277 14.2633 PRESSAVG: 2178600 34.0998 -52.4301 -16.264 -52.4301 -24.8377 26.8051 -16.2641 26.8052 -9.31382 GPRESSAVG: 2178600 34.4654 -50.9397 -16.8679 -52.0132 -25.5384 25.0133 -14.9405 26.6144 -9.01812 TIMING: 2178600 CPU: 6321.07, 0.00289496/step Wall: 6321.07, 0.00289496/step, 2.26884 hours remaining, 205.875000 MB of memory in use. ENERGY: 2178600 777.5826 2094.4584 1988.4415 127.5404 -206278.9504 17835.3015 0.0000 0.0000 34293.1075 -149162.5184 299.4902 -183455.6260 -149060.8115 298.9103 -7.8055 24.8589 557579.1279 -0.0172 -0.0304 PRESSURE: 2178800 168.711 -52.5702 125.367 -52.57 -139.79 -40.7108 125.368 -40.7121 155.087 GPRESSURE: 2178800 206.701 -88.8041 189.96 -18.766 -130.504 -135.578 156.302 -3.47094 212.927 PRESSAVG: 2178800 30.7075 -9.53631 52.1339 -9.53631 7.34153 -23.8578 52.1339 -23.8579 -5.047 GPRESSAVG: 2178800 29.4454 -10.553 53.7603 -8.24205 8.19009 -21.4793 50.6908 -24.7534 -4.39617 TIMING: 2178800 CPU: 6321.65, 0.00290528/step Wall: 6321.65, 0.00290528/step, 2.27677 hours remaining, 205.875000 MB of memory in use. ENERGY: 2178800 787.0308 2083.0632 1957.7988 125.6883 -206344.8391 17989.5378 0.0000 0.0000 34321.9000 -149079.8203 299.7417 -183401.7203 -148988.7704 299.2910 61.3359 96.3743 556904.0459 11.0007 11.0798 PRESSURE: 2179000 101.048 -39.9846 -67.826 -39.9859 121.361 48.9075 -67.8261 48.9064 63.4962 GPRESSURE: 2179000 143.173 -66.0362 -10.1131 -65.627 180.633 -2.80977 -114.869 68.5231 73.4113 PRESSAVG: 2179000 68.4734 1.04582 -6.58869 1.04586 -50.0348 -48.2238 -6.58867 -48.2238 -39.6115 GPRESSAVG: 2179000 67.6402 2.41498 -9.56231 0.495575 -48.6891 -52.1666 -5.3499 -44.8893 -40.3402 TIMING: 2179000 CPU: 6322.23, 0.00289602/step Wall: 6322.23, 0.00289602/step, 2.26936 hours remaining, 205.875000 MB of memory in use. ENERGY: 2179000 734.0488 2142.5482 1953.8565 108.9049 -206088.6601 17773.0167 0.0000 0.0000 34444.3728 -148931.9122 300.8113 -183376.2850 -148835.1872 300.2854 95.3014 132.4057 555273.9555 -7.0576 -7.1297 PRESSURE: 2179200 -19.5607 91.5003 -27.1735 91.5005 18.1989 204.337 -27.1737 204.336 142.178 GPRESSURE: 2179200 2.3264 84.1802 -13.348 64.0619 63.489 219.112 -26.7235 198.68 179.443 PRESSAVG: 2179200 48.5245 -19.425 35.0236 -19.425 -20.6217 0.514648 35.0235 0.514691 17.0819 GPRESSAVG: 2179200 48.9361 -19.3886 36.9782 -19.3455 -23.0735 3.07464 33.4312 -1.92523 18.5535 TIMING: 2179200 CPU: 6322.81, 0.00290168/step Wall: 6322.81, 0.00290168/step, 2.27363 hours remaining, 205.875000 MB of memory in use. ENERGY: 2179200 791.1665 2087.7591 1957.3216 110.5005 -206295.6441 18026.2755 0.0000 0.0000 34358.3266 -148964.2943 300.0598 -183322.6209 -148868.1497 299.8398 46.9388 81.7529 558540.3991 14.9949 14.8054 PRESSURE: 2179400 98.3535 41.4323 48.2039 41.4325 -67.672 -173.683 48.2052 -173.683 61.2344 GPRESSURE: 2179400 83.2126 23.824 64.7171 8.30767 -50.0625 -188.257 -47.1778 -58.113 157.748 PRESSAVG: 2179400 56.2344 11.8651 -23.4795 11.8651 8.08278 65.0329 -23.4794 65.0329 -49.6849 GPRESSAVG: 2179400 56.9538 11.2771 -24.3969 10.5143 9.40391 64.5345 -21.8961 68.3472 -51.6371 TIMING: 2179400 CPU: 6323.39, 0.0029056/step Wall: 6323.39, 0.0029056/step, 2.27654 hours remaining, 205.875000 MB of memory in use. ENERGY: 2179400 759.0043 2097.4232 1967.2285 103.4141 -205981.5624 17825.5544 0.0000 0.0000 34139.9030 -149089.0349 298.1523 -183228.9380 -148995.9668 299.2936 30.6387 63.6328 559159.4793 4.8774 4.9069 PRESSURE: 2179600 -39.6225 -8.83185 -84.803 -8.83118 -131.865 -68.9752 -84.8046 -68.9745 57.0224 GPRESSURE: 2179600 -7.84347 -34.7418 -76.2579 18.9459 -87.8851 -4.39764 -69.4157 -112.377 71.0305 PRESSAVG: 2179600 -32.1368 -17.352 -66.2915 -17.3521 17.0878 43.6728 -66.2914 43.6728 66.4981 GPRESSAVG: 2179600 -30.8282 -14.9087 -65.5999 -17.7635 15.3968 43.903 -67.8941 41.7457 67.017 TIMING: 2179600 CPU: 6323.98, 0.00293121/step Wall: 6323.98, 0.00293121/step, 2.29644 hours remaining, 205.875000 MB of memory in use. ENERGY: 2179600 721.1936 2087.6530 1954.1183 110.8060 -206230.2721 17988.9222 0.0000 0.0000 34099.9017 -149267.6774 297.8029 -183367.5791 -149176.5187 299.2042 -38.1552 -8.2327 559778.0299 17.1497 17.1952 PRESSURE: 2179800 -194.68 57.4313 11.9247 57.4314 -104.479 69.0001 11.9259 69.0008 -178.562 GPRESSURE: 2179800 -116.701 39.3754 72.0788 100.446 -110.674 41.3133 64.754 139.62 -154.563 PRESSAVG: 2179800 4.2145 30.7725 26.2235 30.7725 4.46793 -1.94479 26.2235 -1.94461 -48.2501 GPRESSAVG: 2179800 2.66973 30.5557 26.9962 31.5688 5.24078 -2.99476 25.7588 -0.38901 -47.8849 TIMING: 2179800 CPU: 6324.56, 0.00291208/step Wall: 6324.56, 0.00291208/step, 2.28129 hours remaining, 205.875000 MB of memory in use. ENERGY: 2179800 766.7354 2111.8408 1939.5336 113.9003 -206312.6786 17808.4843 0.0000 0.0000 34212.5838 -149359.6005 298.7870 -183572.1843 -149268.8242 298.4608 -159.2403 -127.3126 559119.2420 -13.1892 -13.3248 PRESSURE: 2180000 8.16801 -4.80823 56.7139 -4.80873 -157.314 43.3051 56.7134 43.3058 -40.8766 GPRESSURE: 2180000 71.2812 64.9397 115.746 -33.2996 -155.507 48.366 54.63 100.219 -12.4547 PRESSAVG: 2180000 22.1816 36.1652 6.00128 36.1652 17.1409 10.0017 6.00133 10.0016 -18.5434 GPRESSAVG: 2180000 21.6047 35.9142 5.69677 36.3355 17.3612 11.9999 6.36664 8.52594 -18.2041 TIMING: 2180000 CPU: 6325.15, 0.00292161/step Wall: 6325.15, 0.00292161/step, 2.28859 hours remaining, 205.875000 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: 2180000 758.5888 2123.5301 1970.1827 126.7600 -206316.3533 17900.1352 0.0000 0.0000 34135.1627 -149301.9937 298.1109 -183437.1564 -149209.3224 298.7019 -63.3409 -32.2268 558701.1051 6.9264 6.9206 PRESSURE: 2180200 51.6797 -2.77432 -60.4054 -2.77361 -106.715 -54.2182 -60.4058 -54.219 -24.3932 GPRESSURE: 2180200 94.0525 -6.73336 -39.0324 26.2344 -146.199 -70.8321 -35.2675 -19.0976 66.7178 PRESSAVG: 2180200 44.9066 -18.1237 -10.282 -18.1237 -13.1638 9.27212 -10.282 9.27213 -55.6124 GPRESSAVG: 2180200 45.3051 -18.1145 -10.8656 -17.6275 -13.5886 7.52923 -9.83088 9.0887 -55.8805 TIMING: 2180200 CPU: 6325.73, 0.00290641/step Wall: 6325.73, 0.00290641/step, 2.27653 hours remaining, 205.875000 MB of memory in use. ENERGY: 2180200 756.3056 2127.9029 1998.4876 133.7162 -206320.0779 17905.8302 0.0000 0.0000 34305.4662 -149092.3692 299.5982 -183397.8354 -149007.8401 299.2494 -26.4762 4.8572 557727.9422 -7.9565 -8.0547 LDB: ============= START OF LOAD BALANCING ============== 6329.19 LDB: ============== END OF LOAD BALANCING =============== 6329.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6329.2 LDB: ============= START OF LOAD BALANCING ============== 6329.49 LDB: Largest compute 4821 load 0.029628 is 25.2% of average load 0.117732 LDB: Average compute 0.001732 is 1.5% of average load 0.117732 LDB: TIME 6329.49 LOAD: AVG 0.117732 MAX 0.179742 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.672 MB LDB: TIME 6329.49 LOAD: AVG 0.117732 MAX 0.179742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 6329.49 LOAD: AVG 0.117732 MAX 0.179742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6329.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6329.5 PRESSURE: 2180400 -84.5517 -86.7845 137.332 -86.7849 -82.8925 67.5986 137.333 67.6006 -51.305 GPRESSURE: 2180400 1.87734 -17.7857 77.5947 -112.4 -73.9209 37.247 134.771 103.729 -43.434 PRESSAVG: 2180400 -18.0518 -16.0771 60.6913 -16.077 29.3314 -5.89801 60.6914 -5.89799 2.85706 GPRESSAVG: 2180400 -18.6203 -16.4271 60.9436 -15.6186 29.7086 -4.05619 60.5017 -6.55006 3.32646 TIMING: 2180400 CPU: 6326.32, 0.00295944/step Wall: 6326.32, 0.00295944/step, 2.3179 hours remaining, 205.382812 MB of memory in use. ENERGY: 2180400 728.2693 2117.6899 1956.1694 121.9767 -205998.6657 17665.0389 0.0000 0.0000 34430.3672 -148979.1544 300.6890 -183409.5216 -148888.6972 299.9702 -72.9164 -38.4925 558463.4145 4.7122 4.8049 PRESSURE: 2180600 -339.881 -79.6223 -80.3945 -79.6212 -243.919 -25.1856 -80.3957 -25.1848 -39.0559 GPRESSURE: 2180600 -312.172 -76.23 -80.4019 -159.611 -208.011 4.6173 -63.2798 -36.6984 5.86948 PRESSAVG: 2180600 35.2243 -75.5484 36.9487 -75.5485 -6.13255 -9.88601 36.9486 -9.88602 1.54679 GPRESSAVG: 2180600 34.8686 -75.7108 37.594 -76.46 -5.66448 -11.9789 36.8132 -9.60177 2.01944 TIMING: 2180600 CPU: 6326.9, 0.00289572/step Wall: 6326.9, 0.00289572/step, 2.26783 hours remaining, 205.382812 MB of memory in use. ENERGY: 2180600 784.9546 2067.8962 1987.2131 118.6431 -205853.7660 17640.0779 0.0000 0.0000 34371.3882 -148883.5928 300.1739 -183254.9810 -148784.5664 299.7698 -207.6186 -171.4376 558783.7670 10.2129 10.4078 PRESSURE: 2180800 103.756 -182.505 -126.027 -182.503 -44.182 27.075 -126.026 27.0757 -2.53264 GPRESSURE: 2180800 122.703 -162.642 -6.15281 -271.057 -20.9818 -7.56319 -182.344 4.92449 53.1254 PRESSAVG: 2180800 -34.5248 -47.355 56.8115 -47.355 -10.6077 10.9626 56.8116 10.9626 21.9109 GPRESSAVG: 2180800 -33.4149 -47.4706 56.8168 -47.344 -11.6833 11.9666 57.8661 10.546 22.378 TIMING: 2180800 CPU: 6327.48, 0.0028852/step Wall: 6327.48, 0.0028852/step, 2.25943 hours remaining, 205.382812 MB of memory in use. ENERGY: 2180800 698.3209 2136.9706 1965.4294 119.3480 -206277.6080 17849.2234 0.0000 0.0000 34566.0697 -148942.2460 301.8741 -183508.3156 -148847.7096 299.6139 19.0139 51.6156 557980.2391 -7.7405 -7.5734 PRESSURE: 2181000 -14.058 -76.3883 -101.142 -76.3887 -34.8343 -188.454 -101.142 -188.452 -69.0676 GPRESSURE: 2181000 17.1428 -91.7459 -183.299 -89.55 14.6217 -264.542 -12.4829 -78.8862 -59.4634 PRESSAVG: 2181000 -0.323431 -12.5965 -16.887 -12.5965 4.49779 39.7035 -16.8869 39.7035 -24.0682 GPRESSAVG: 2181000 -0.101114 -13.1131 -18.3611 -12.5514 5.79625 41.1834 -17.3751 38.864 -25.9022 TIMING: 2181000 CPU: 6328.06, 0.00290803/step Wall: 6328.06, 0.00290803/step, 2.27715 hours remaining, 205.519531 MB of memory in use. ENERGY: 2181000 724.3756 2077.7100 1958.7864 102.1675 -205986.6339 17749.1782 0.0000 0.0000 34366.9896 -149007.4267 300.1355 -183374.4163 -148907.5471 299.8423 -39.3200 -9.2330 559249.4104 -6.6313 -6.7357 PRESSURE: 2181200 -147.477 102.889 -68.1389 102.889 -250.011 -22.791 -68.1393 -22.7908 -152.305 GPRESSURE: 2181200 -140.391 67.8495 -23.028 92.6017 -138.895 -28.0349 -88.4312 -39.7381 -159.172 PRESSAVG: 2181200 90.1782 2.78865 -5.48737 2.78874 -64.105 -35.4711 -5.48733 -35.4711 -31.9526 GPRESSAVG: 2181200 89.5554 2.06088 -5.6799 2.99486 -64.5732 -34.1712 -4.76685 -34.4065 -30.3876 TIMING: 2181200 CPU: 6328.64, 0.00289235/step Wall: 6328.64, 0.00289235/step, 2.26471 hours remaining, 205.519531 MB of memory in use. ENERGY: 2181200 773.4918 2033.0336 1966.6927 109.8031 -205755.4115 17535.3336 0.0000 0.0000 34275.8239 -149061.2328 299.3393 -183337.0566 -148969.0198 299.9601 -183.2642 -146.1528 558054.3152 -1.9598 -1.8018 PRESSURE: 2181400 -143.239 -117.125 12.8061 -117.125 -24.6871 -80.6299 12.8056 -80.6297 -217.657 GPRESSURE: 2181400 -147.243 -80.9377 80.8668 -81.2774 43.7913 -74.3266 -57.304 -102.032 -182.334 PRESSAVG: 2181400 -4.42742 -11.7089 -23.9326 -11.7089 47.4142 -11.2714 -23.9326 -11.2714 -60.8332 GPRESSAVG: 2181400 -4.15893 -11.0474 -23.1879 -11.3026 47.421 -12.7734 -26.3223 -11.137 -61.0675 TIMING: 2181400 CPU: 6329.21, 0.00288908/step Wall: 6329.21, 0.00288908/step, 2.26199 hours remaining, 205.519531 MB of memory in use. ENERGY: 2181400 782.5480 2076.0586 1985.7056 122.2589 -205984.4395 17685.2980 0.0000 0.0000 34283.0442 -149049.5263 299.4024 -183332.5705 -148954.7563 299.5979 -128.5277 -95.2616 558254.7847 -5.9488 -5.9352 PRESSURE: 2181600 60.701 -20.9353 -103.109 -20.9356 -152.26 -149.526 -103.109 -149.526 19.711 GPRESSURE: 2181600 103.922 59.3726 -123.669 -62.5571 -141.724 -127.864 -79.9167 -153.208 64.7697 PRESSAVG: 2181600 -23.2284 14.4758 -43.7597 14.4757 -3.454 4.07487 -43.7597 4.07496 39.3102 GPRESSAVG: 2181600 -22.3861 16.0774 -43.9263 14.5852 -3.80981 3.55168 -41.9808 3.08805 38.8294 TIMING: 2181600 CPU: 6329.79, 0.00288795/step Wall: 6329.79, 0.00288795/step, 2.26094 hours remaining, 205.519531 MB of memory in use. ENERGY: 2181600 755.9617 2111.4469 1964.8782 114.5908 -206123.4019 17753.3095 0.0000 0.0000 34327.9300 -149095.2848 299.7944 -183423.2148 -148995.4622 299.8461 -23.9493 8.9894 557526.7307 4.2093 4.2112 PRESSURE: 2181800 222.764 165.028 97.5537 165.028 91.5786 -3.57918 97.5525 -3.57843 247.013 GPRESSURE: 2181800 213.065 194.169 8.49215 57.2398 128.543 56.0858 130.196 8.75622 308.781 PRESSAVG: 2181800 6.25954 77.7542 -49.3716 77.7543 -2.51305 37.5225 -49.3716 37.5225 21.4533 GPRESSAVG: 2181800 6.28466 77.964 -50.6426 78.1434 -2.6762 37.3667 -48.2287 39.7471 21.8039 TIMING: 2181800 CPU: 6330.37, 0.00288144/step Wall: 6330.37, 0.00288144/step, 2.25569 hours remaining, 205.519531 MB of memory in use. ENERGY: 2181800 727.3310 2078.0587 1965.5553 119.4513 -206572.6840 18077.9363 0.0000 0.0000 34312.2692 -149292.0823 299.6576 -183604.3515 -149192.7819 299.8436 187.1185 216.7966 557458.2713 8.3999 8.4708 PRESSURE: 2182000 419.031 -157.479 -15.1457 -157.48 109.311 28.7515 -15.1458 28.7524 13.6503 GPRESSURE: 2182000 440.57 -87.955 7.12778 -210.734 188.246 32.9494 -15.1532 15.0486 3.44288 PRESSAVG: 2182000 67.8781 -10.8808 8.02894 -10.8808 -29.9806 -2.48359 8.02892 -2.48364 -27.5875 GPRESSAVG: 2182000 67.6644 -11.5367 8.32657 -11.8945 -29.1842 -2.35812 9.6945 -5.22402 -28.0513 TIMING: 2182000 CPU: 6330.95, 0.00289239/step Wall: 6330.95, 0.00289239/step, 2.2641 hours remaining, 205.519531 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: 2182000 753.8664 2098.7397 1963.4569 108.9924 -206829.2486 18285.1880 0.0000 0.0000 34288.0846 -149330.9206 299.4464 -183619.0052 -149237.6223 299.5292 180.6639 210.7528 556003.9138 3.4367 3.4763 PRESSURE: 2182200 -333.552 -67.615 20.3434 -67.616 -67.4719 -0.857965 20.3428 -0.859424 -323.539 GPRESSURE: 2182200 -281.462 -61.0298 25.0221 -96.1411 -2.31376 102.662 -54.4434 -26.0355 -343.54 PRESSAVG: 2182200 27.3487 -15.0261 -58.7387 -15.0261 -7.84088 27.0604 -58.7387 27.0605 -48.5767 GPRESSAVG: 2182200 26.8163 -17.5184 -59.7853 -13.3811 -7.3827 27.8781 -61.2996 28.0886 -49.0421 TIMING: 2182200 CPU: 6331.52, 0.00288555/step Wall: 6331.52, 0.00288555/step, 2.25859 hours remaining, 205.519531 MB of memory in use. ENERGY: 2182200 743.3089 2058.2357 1967.1130 110.8800 -206071.1309 17498.4444 0.0000 0.0000 34276.5225 -149416.6263 299.3454 -183693.1488 -149313.3956 298.5271 -241.5210 -209.1053 558697.7086 -9.6896 -9.8695 PRESSURE: 2182400 -109.139 -52.8948 -76.9229 -52.896 -67.3543 -22.0034 -76.9238 -22.0028 -385.628 GPRESSURE: 2182400 -85.2825 -51.632 -107.851 -91.4083 -33.4514 20.5091 -89.7175 11.2058 -321.602 PRESSAVG: 2182400 44.9212 -39.9644 -15.1565 -39.9643 -13.754 43.2672 -15.1566 43.2672 -42.0171 GPRESSAVG: 2182400 44.6353 -36.6673 -15.408 -41.6332 -13.3317 41.3368 -14.3068 44.3848 -42.273 TIMING: 2182400 CPU: 6332.11, 0.00291721/step Wall: 6332.11, 0.00291721/step, 2.28321 hours remaining, 205.519531 MB of memory in use. ENERGY: 2182400 747.7471 2067.8804 1950.6162 109.8962 -206039.7418 17518.1835 0.0000 0.0000 34011.8715 -149633.5470 297.0341 -183645.4185 -149534.7147 297.9883 -187.3737 -146.7785 557084.3245 -3.6166 -3.6565 PRESSURE: 2182600 220.702 -0.998088 -37.4531 -0.99847 -94.8213 -71.9569 -37.4516 -71.957 -85.023 GPRESSURE: 2182600 209.174 33.1439 3.73204 -92.7947 -12.4936 -35.7677 -25.164 -77.9066 -48.0429 PRESSAVG: 2182600 8.02639 -32.1138 -59.6848 -32.1137 34.0336 29.154 -59.6847 29.1539 -44.8047 GPRESSAVG: 2182600 7.47275 -33.8743 -58.0387 -31.5969 34.233 28.9994 -61.0327 29.4765 -44.8666 TIMING: 2182600 CPU: 6332.69, 0.00290512/step Wall: 6332.69, 0.00290512/step, 2.27358 hours remaining, 205.519531 MB of memory in use. ENERGY: 2182600 733.6160 2078.0660 1963.7457 103.8889 -206329.7378 17718.5793 0.0000 0.0000 34143.7221 -149588.1197 298.1856 -183731.8418 -149486.0683 297.7830 13.6191 49.5459 555020.8727 -0.9149 -1.0536 PRESSURE: 2182800 45.6924 -111.22 -25.7734 -111.219 225.841 -72.9 -25.774 -72.9006 230.912 GPRESSURE: 2182800 153.815 -27.5603 6.45531 -94.8804 163.497 -154.665 11.8227 -17.6962 272.847 PRESSAVG: 2182800 5.90755 -70.9312 -14.7541 -70.9311 -29.6245 -6.52825 -14.754 -6.52837 52.6519 GPRESSAVG: 2182800 5.13533 -72.8957 -15.7322 -69.7378 -29.3388 -8.20075 -14.4772 -6.53839 53.0653 TIMING: 2182800 CPU: 6333.27, 0.00290841/step Wall: 6333.27, 0.00290841/step, 2.27599 hours remaining, 205.519531 MB of memory in use. ENERGY: 2182800 754.8644 2129.8320 1962.8744 117.2785 -206684.4095 17942.9733 0.0000 0.0000 34188.1543 -149588.4327 298.5737 -183776.5870 -149501.0167 297.5333 167.4816 196.7196 554857.4573 9.6450 9.6206 PRESSURE: 2183000 -478.069 168.691 -124.934 168.691 -112.751 -177.662 -124.934 -177.663 70.6807 GPRESSURE: 2183000 -418.099 141.442 -102.419 202.741 -92.8353 -119.913 -101.647 -229.224 92.2988 PRESSAVG: 2183000 -46.2584 -19.3267 17.1879 -19.3267 78.0992 40.7492 17.1879 40.7491 -45.6015 GPRESSAVG: 2183000 -46.7942 -16.5938 16.9696 -21.308 78.0006 42.4609 17.1209 37.8821 -44.7019 TIMING: 2183000 CPU: 6333.85, 0.00290316/step Wall: 6333.85, 0.00290316/step, 2.27173 hours remaining, 205.519531 MB of memory in use. ENERGY: 2183000 764.9888 2100.0093 1950.5313 108.4350 -206097.5203 17556.9457 0.0000 0.0000 34129.9033 -149486.7068 298.0649 -183616.6102 -149394.5911 298.4566 -173.3797 -139.5451 556668.2059 -4.5869 -4.4985 PRESSURE: 2183200 -93.5049 72.9434 185.98 72.9424 14.2614 228.812 185.98 228.811 -276.808 GPRESSURE: 2183200 -73.8164 10.6896 103.986 73.3886 36.251 231.537 227.711 181.259 -211.152 PRESSAVG: 2183200 -36.2039 -19.5314 -2.94312 -19.5314 -17.176 24.1269 -2.94318 24.1269 7.58337 GPRESSAVG: 2183200 -35.0454 -20.5423 -3.04663 -20.1945 -17.319 24.4781 -3.64954 24.7074 6.82302 TIMING: 2183200 CPU: 6334.43, 0.00290135/step Wall: 6334.43, 0.00290135/step, 2.27014 hours remaining, 205.519531 MB of memory in use. ENERGY: 2183200 730.7149 2120.7486 1942.3107 121.5031 -206159.7038 17533.8899 0.0000 0.0000 34399.1475 -149311.3892 300.4163 -183710.5367 -149218.0868 298.8732 -118.6839 -82.9059 556367.9073 -15.2655 -15.1805 PRESSURE: 2183400 10.7392 85.1551 18.1153 85.1546 132.802 76.4662 18.1169 76.4666 4.8712 GPRESSURE: 2183400 66.8852 49.6547 -45.5278 195.161 140.623 79.8634 -3.10715 100.677 50.6015 PRESSAVG: 2183400 -37.3424 27.4405 -38.3875 27.4404 -0.458286 120.906 -38.3875 120.906 37.3099 GPRESSAVG: 2183400 -37.5724 26.624 -36.5707 30.5453 0.252408 120.385 -38.8194 122.522 36.8238 TIMING: 2183400 CPU: 6335.01, 0.00289693/step Wall: 6335.01, 0.00289693/step, 2.26653 hours remaining, 205.519531 MB of memory in use. ENERGY: 2183400 738.8724 2127.1599 1995.4104 121.6320 -206333.2253 17872.2974 0.0000 0.0000 34198.1614 -149279.6919 298.6610 -183477.8533 -149183.8950 299.2710 49.4707 86.0367 556142.3863 -0.1636 -0.1654 PRESSURE: 2183600 278.504 -34.8101 141.562 -34.8084 273.602 45.3265 141.562 45.3257 87.499 GPRESSURE: 2183600 303.982 -50.0623 142.674 -44.0477 257.612 84.8137 109.214 62.4558 161.76 PRESSAVG: 2183600 -38.9622 -29.8317 15.8348 -29.8318 68.2333 90.9599 15.8348 90.9599 -3.57996 GPRESSAVG: 2183600 -38.8861 -28.6313 13.5144 -31.9099 66.9336 90.6236 16.5979 89.4676 -2.01468 TIMING: 2183600 CPU: 6335.59, 0.00290856/step Wall: 6335.59, 0.00290856/step, 2.27546 hours remaining, 205.519531 MB of memory in use. ENERGY: 2183600 737.3588 2121.3628 1981.1225 107.7606 -206306.1075 17868.1366 0.0000 0.0000 34335.4120 -149154.9543 299.8597 -183490.3663 -149056.4584 300.1830 213.2015 241.1178 555857.7816 8.5637 8.6776 PRESSURE: 2183800 -86.1165 67.654 -60.6676 67.6535 -48.1756 94.6808 -60.6669 94.6831 -159.688 GPRESSURE: 2183800 -72.6892 73.7978 -116.274 54.1448 -3.00607 138.952 44.9677 32.1989 -115.014 PRESSAVG: 2183800 -29.4612 -3.85889 -23.4654 -3.85887 13.0017 5.78844 -23.4654 5.78829 10.4939 GPRESSAVG: 2183800 -28.0035 -5.66288 -21.6871 -2.05017 12.8216 4.72989 -23.1675 6.96672 9.69988 TIMING: 2183800 CPU: 6336.17, 0.00289933/step Wall: 6336.17, 0.00289933/step, 2.26808 hours remaining, 205.519531 MB of memory in use. ENERGY: 2183800 751.2812 2152.6336 1967.3555 124.4155 -206067.5897 17733.2486 0.0000 0.0000 34175.6275 -149163.0278 298.4643 -183338.6553 -149061.9817 299.5654 -97.9932 -63.5698 557816.7366 -1.9885 -1.8273 PRESSURE: 2184000 398.495 -221.153 48.5125 -221.154 114.057 -24.8356 48.5136 -24.8351 -33.1133 GPRESSURE: 2184000 460.594 -252.951 9.12451 -194.358 100.724 -25.0308 87.5161 41.2809 22.1375 PRESSAVG: 2184000 42.6472 8.38919 -22.032 8.38929 3.60113 -1.63493 -22.032 -1.63481 -1.0521 GPRESSAVG: 2184000 42.3432 9.16612 -23.5858 7.98894 4.28711 -1.04698 -20.0802 -0.88351 -1.29261 TIMING: 2184000 CPU: 6336.75, 0.00288597/step Wall: 6336.75, 0.00288597/step, 2.25747 hours remaining, 205.519531 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: 2184000 722.1043 2145.4450 1980.8557 104.3066 -206491.9186 18109.1997 0.0000 0.0000 34257.9714 -149172.0359 299.1834 -183430.0074 -149073.1731 298.7790 159.8130 194.4852 557382.7969 15.0654 15.1126 PRESSURE: 2184200 15.0214 11.4055 -58.8668 11.4058 45.0577 -20.5278 -58.8672 -20.5289 287.281 GPRESSURE: 2184200 53.4898 48.2088 -27.5378 -68.1324 70.1143 107.044 97.0205 5.86988 326.691 PRESSAVG: 2184200 38.9711 0.15798 16.3017 0.158012 26.4347 34.3158 16.3016 34.3158 -69.8206 GPRESSAVG: 2184200 37.6707 1.17913 18.9957 -1.13659 27.0321 37.599 14.814 31.7719 -69.121 TIMING: 2184200 CPU: 6337.33, 0.0029237/step Wall: 6337.33, 0.0029237/step, 2.28682 hours remaining, 205.519531 MB of memory in use. ENERGY: 2184200 752.9675 2118.2965 1982.8926 109.1198 -206351.3179 17963.0468 0.0000 0.0000 34281.1034 -149143.8913 299.3854 -183424.9947 -149047.7985 299.3939 115.7867 150.0984 556634.2145 -1.4716 -1.4727 LDB: ============= START OF LOAD BALANCING ============== 6340.8 LDB: ============== END OF LOAD BALANCING =============== 6340.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6340.8 LDB: ============= START OF LOAD BALANCING ============== 6341.09 LDB: Largest compute 4821 load 0.030444 is 25.9% of average load 0.117738 LDB: Average compute 0.001724 is 1.5% of average load 0.117738 LDB: TIME 6341.09 LOAD: AVG 0.117738 MAX 0.179137 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.438 MB LDB: TIME 6341.09 LOAD: AVG 0.117738 MAX 0.179137 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: TIME 6341.09 LOAD: AVG 0.117738 MAX 0.179137 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6341.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6341.1 PRESSURE: 2184400 -60.2161 -38.5342 163.204 -38.5357 -125.401 -53.5866 163.202 -53.5874 -444.664 GPRESSURE: 2184400 -33.1344 -48.8366 148.1 -10.8253 -51.9265 -142.232 182.801 90.1625 -450.393 PRESSAVG: 2184400 -19.1605 -19.8763 61.1806 -19.8762 14.0832 5.64221 61.1807 5.64226 -31.4566 GPRESSAVG: 2184400 -16.855 -22.0983 58.8128 -18.9677 12.9746 3.97855 60.296 6.41879 -32.3513 TIMING: 2184400 CPU: 6337.92, 0.00294681/step Wall: 6337.92, 0.00294681/step, 2.30473 hours remaining, 207.027344 MB of memory in use. ENERGY: 2184400 748.7597 2098.9830 1989.2233 100.6351 -206265.5073 17658.6930 0.0000 0.0000 34451.3756 -149217.8375 300.8724 -183669.2131 -149122.1014 299.5474 -210.0938 -178.4846 559033.6490 -12.1780 -12.0772 PRESSURE: 2184600 17.0337 20.3677 -62.9944 20.3665 111.833 37.4776 -62.9952 37.4762 214.958 GPRESSURE: 2184600 10.2036 -7.39469 -25.8717 -5.64961 163.319 86.0023 -73.8472 69.3172 273.061 PRESSAVG: 2184600 19.4059 -33.9262 15.8879 -33.9262 48.1161 -12.0252 15.8879 -12.0252 -4.52456 GPRESSAVG: 2184600 18.0458 -31.2946 15.0026 -33.2147 48.3996 -11.528 15.8259 -11.904 -3.40236 TIMING: 2184600 CPU: 6338.51, 0.0029279/step Wall: 6338.51, 0.0029279/step, 2.28978 hours remaining, 207.269531 MB of memory in use. ENERGY: 2184600 747.6473 2146.4215 1936.6614 122.5153 -206222.6964 17887.5028 0.0000 0.0000 34054.7559 -149327.1922 297.4087 -183381.9481 -149227.0566 299.1303 114.6082 148.8610 556793.0556 20.9992 21.0143 PRESSURE: 2184800 78.9857 105.062 185.865 105.062 110.647 171.813 185.865 171.814 -203.069 GPRESSURE: 2184800 179.351 215.239 140.418 113.443 118.802 57.5543 179.363 86.6681 -215.25 PRESSAVG: 2184800 23.2007 -24.8142 -63.3449 -24.8142 -22.9468 40.329 -63.345 40.329 -5.22108 GPRESSAVG: 2184800 24.0376 -25.8713 -61.4975 -25.7312 -22.8762 36.1832 -63.3938 41.1168 -5.81403 TIMING: 2184800 CPU: 6339.09, 0.00292574/step Wall: 6339.09, 0.00292574/step, 2.28793 hours remaining, 207.269531 MB of memory in use. ENERGY: 2184800 755.2433 2104.0191 1964.4306 107.1557 -206263.7507 17805.5077 0.0000 0.0000 34112.5431 -149414.8512 297.9133 -183527.3942 -149323.4785 298.3708 -4.4789 27.6341 555340.9347 -1.6557 -1.5509 PRESSURE: 2185000 -83.4497 120.533 86.4423 120.534 47.7017 169.344 86.4427 169.345 28.9438 GPRESSURE: 2185000 -83.9136 75.6325 95.9727 77.964 9.10633 148.869 12.5379 160.633 148.762 PRESSAVG: 2185000 6.65724 28.6821 38.929 28.6821 -9.08224 -14.6268 38.929 -14.6269 14.4558 GPRESSAVG: 2185000 7.317 29.1262 40.6386 29.0003 -9.65477 -10.0889 39.1865 -15.2275 14.0014 TIMING: 2185000 CPU: 6339.67, 0.00289501/step Wall: 6339.67, 0.00289501/step, 2.26374 hours remaining, 207.269531 MB of memory in use. ENERGY: 2185000 744.5182 2066.6312 1971.0256 115.3410 -206479.0916 17936.8426 0.0000 0.0000 34153.8409 -149490.8921 298.2740 -183644.7330 -149394.2830 298.4265 -2.2681 24.6516 556977.2816 4.0103 3.8879 PRESSURE: 2185200 -40.0462 14.0287 -124.615 14.0286 -211.836 -129.563 -124.614 -129.564 131.398 GPRESSURE: 2185200 11.6998 -99.4533 -58.8132 -116.699 -145.306 -212.863 -117.51 -186.453 114.298 PRESSAVG: 2185200 -22.0468 21.9243 -5.6136 21.9244 27.2131 -40.9506 -5.61354 -40.9508 -12.9057 GPRESSAVG: 2185200 -22.5895 21.5549 -5.48525 21.1033 27.2062 -41.3216 -7.31893 -42.548 -12.7968 TIMING: 2185200 CPU: 6340.25, 0.00288046/step Wall: 6340.25, 0.00288046/step, 2.2522 hours remaining, 207.269531 MB of memory in use. ENERGY: 2185200 773.1511 2123.5345 1947.2981 117.3711 -206176.0641 17654.3791 0.0000 0.0000 34266.9098 -149293.4203 299.2614 -183560.3302 -149187.1631 299.1198 -40.1612 -6.4361 556042.3264 -2.5798 -2.7267 PRESSURE: 2185400 -7.78831 -112.445 -115.462 -112.444 -24.0255 -84.3337 -115.463 -84.3329 16.9842 GPRESSURE: 2185400 -19.4151 -127.245 -63.6904 -150.855 11.5767 -48.433 -77.0756 -14.1437 93.8659 PRESSAVG: 2185400 8.88083 -43.824 -41.5151 -43.824 -47.7487 -40.1553 -41.5151 -40.1552 35.356 GPRESSAVG: 2185400 8.63082 -45.4253 -43.3333 -43.1625 -46.7641 -40.7112 -41.7385 -38.4639 35.2596 TIMING: 2185400 CPU: 6340.83, 0.002886/step Wall: 6340.83, 0.002886/step, 2.25637 hours remaining, 207.269531 MB of memory in use. ENERGY: 2185400 737.2680 2076.9365 1979.3151 104.8997 -206360.3884 17944.6820 0.0000 0.0000 34321.3371 -149195.9500 299.7368 -183517.2871 -149104.7382 298.6625 -4.9432 28.6759 558455.3194 -1.1706 -0.9579 PRESSURE: 2185600 319.39 24.9842 -6.91818 24.9832 195.007 26.1593 -6.91936 26.1589 -9.08475 GPRESSURE: 2185600 269.044 95.5078 3.06589 -57.6009 237.59 -3.56993 -39.9651 50.2893 90.7314 PRESSAVG: 2185600 -78.0563 -58.0613 -3.74155 -58.0614 -11.5886 1.87198 -3.74156 1.87206 80.1778 GPRESSAVG: 2185600 -79.7326 -59.1955 -3.43137 -56.8357 -10.9409 0.53407 -2.85289 2.68655 81.0264 TIMING: 2185600 CPU: 6341.4, 0.00288438/step Wall: 6341.4, 0.00288438/step, 2.25495 hours remaining, 207.269531 MB of memory in use. ENERGY: 2185600 761.9427 2040.2092 1980.5263 125.6894 -206754.8741 18181.1598 0.0000 0.0000 34338.2660 -149327.0809 299.8846 -183665.3468 -149227.1723 299.3592 168.4373 199.1219 556249.1403 -3.1557 -3.2157 PRESSURE: 2185800 120.136 -51.4548 -80.7745 -51.4543 -222.749 -303.91 -80.7749 -303.908 291.325 GPRESSURE: 2185800 122.807 -37.7548 1.93762 -49.9387 -127.795 -256.601 -97.4187 -274.703 289.587 PRESSAVG: 2185800 53.9374 18.3156 9.80718 18.3156 -36.5768 -51.8489 9.80719 -51.8489 20.6162 GPRESSAVG: 2185800 54.3338 20.8801 9.33956 17.3987 -36.7275 -50.6035 10.0876 -52.9835 20.3862 TIMING: 2185800 CPU: 6341.98, 0.00289874/step Wall: 6341.98, 0.00289874/step, 2.26601 hours remaining, 207.269531 MB of memory in use. ENERGY: 2185800 754.3195 2095.3613 1990.6210 112.8188 -206553.6216 17863.0361 0.0000 0.0000 34464.6673 -149272.7976 300.9885 -183737.4649 -149176.8017 298.8027 62.9040 94.8664 556889.1193 12.6589 12.6642 PRESSURE: 2186000 130.978 17.7102 162.936 17.7097 81.0483 38.1036 162.938 38.1055 100.861 GPRESSURE: 2186000 182.092 22.2819 121.367 -18.1079 140.059 27.8426 148.947 -33.2223 97.8759 PRESSAVG: 2186000 39.055 -52.8163 -47.4114 -52.8164 -28.1798 7.44492 -47.4113 7.44501 -0.704169 GPRESSAVG: 2186000 41.5467 -53.8731 -48.3703 -53.3779 -28.0008 8.15425 -45.7114 6.91369 -4.24235 TIMING: 2186000 CPU: 6342.56, 0.00288723/step Wall: 6342.56, 0.00288723/step, 2.25685 hours remaining, 207.269531 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: 2186000 752.0740 2080.2063 1972.3021 101.7726 -206505.9826 18017.4888 0.0000 0.0000 34358.1298 -149224.0089 300.0581 -183582.1387 -149119.7689 299.2842 104.2959 140.0087 556311.4976 3.3903 3.1012 PRESSURE: 2186200 -68.6862 -52.2202 22.587 -52.2203 -135.613 -32.6337 22.5863 -32.6345 170.325 GPRESSURE: 2186200 -89.4209 -95.5982 39.6118 -101.396 -39.1822 -24.2906 11.2678 -85.3612 204.907 PRESSAVG: 2186200 24.234 -63.0608 -11.0564 -63.0608 -38.5468 7.43476 -11.0564 7.43464 20.5234 GPRESSAVG: 2186200 23.022 -62.5991 -10.7766 -63.2743 -40.0476 7.13111 -12.0576 6.911 23.0066 TIMING: 2186200 CPU: 6343.14, 0.00290362/step Wall: 6343.14, 0.00290362/step, 2.2695 hours remaining, 207.269531 MB of memory in use. ENERGY: 2186200 768.8248 2152.3736 1954.3375 121.8142 -206595.8027 17949.9521 0.0000 0.0000 34303.3852 -149345.1153 299.5800 -183648.5005 -149259.0732 299.2773 -11.3247 25.4346 557183.2471 2.0702 1.9937 PRESSURE: 2186400 -91.1401 -272.034 -61.8034 -272.034 -220.703 -0.501635 -61.8031 -0.50103 21.4559 GPRESSURE: 2186400 -78.7849 -222.06 -21.2755 -243.733 -166.242 75.1191 -125.554 30.0222 60.1917 PRESSAVG: 2186400 -45.0012 -55.2074 64.4651 -55.2075 -21.3399 -46.2601 64.465 -46.2601 4.43025 GPRESSAVG: 2186400 -44.4424 -53.6088 67.6512 -56.1272 -19.8331 -45.5555 62.1375 -46.2669 2.68441 TIMING: 2186400 CPU: 6343.72, 0.00289922/step Wall: 6343.72, 0.00289922/step, 2.2659 hours remaining, 207.269531 MB of memory in use. ENERGY: 2186400 733.4287 2070.7563 1969.3492 112.3303 -206278.1955 17663.1441 0.0000 0.0000 34227.3655 -149501.8214 298.9161 -183729.1869 -149404.7271 298.3126 -96.7959 -61.6118 556463.3447 -20.6369 -20.5304 PRESSURE: 2186600 10.651 -12.2922 -37.1426 -12.2925 103.67 24.64 -37.1425 24.6385 258.985 GPRESSURE: 2186600 70.5314 51.0867 20.2888 0.482263 114.193 92.4077 22.9361 2.71758 296.526 PRESSAVG: 2186600 -37.1833 -2.68162 -7.21 -2.68156 -12.1026 -41.8945 -7.21009 -41.8945 71.5729 GPRESSAVG: 2186600 -37.1922 -1.58624 -8.91768 -1.33557 -12.7635 -41.8894 -4.1575 -41.5509 72.4559 TIMING: 2186600 CPU: 6344.3, 0.0028989/step Wall: 6344.3, 0.0028989/step, 2.26549 hours remaining, 207.269531 MB of memory in use. ENERGY: 2186600 716.1343 2006.5291 1972.8608 121.2212 -206427.4662 17911.3292 0.0000 0.0000 34141.6999 -149557.6917 298.1680 -183699.3916 -149456.9087 299.2845 124.4355 160.4169 555374.5320 7.4290 7.5001 PRESSURE: 2186800 -248.188 46.1956 130.763 46.1932 113.358 -73.3226 130.764 -73.3227 -48.9275 GPRESSURE: 2186800 -202.747 -85.9928 155.076 103.381 134.159 -34.6694 35.7705 -111.391 -27.7111 PRESSAVG: 2186800 -9.23416 -22.8359 47.2454 -22.8359 14.0082 -7.54404 47.2454 -7.54403 3.67359 GPRESSAVG: 2186800 -10.1513 -25.3401 46.0031 -26.1533 14.8644 -7.36455 45.5762 -8.26681 3.61961 TIMING: 2186800 CPU: 6344.88, 0.00290702/step Wall: 6344.88, 0.00290702/step, 2.27168 hours remaining, 207.269531 MB of memory in use. ENERGY: 2186800 737.6428 2114.9225 1943.7445 114.9304 -206401.0007 17749.7452 0.0000 0.0000 34316.4002 -149423.6151 299.6937 -183740.0152 -149325.3299 298.1074 -61.2525 -32.0997 557074.8727 2.8159 2.7776 PRESSURE: 2187000 -321.891 -39.0468 86.1376 -39.0452 -54.2081 111.333 86.137 111.332 -140.767 GPRESSURE: 2187000 -264.081 -78.6766 123.115 -6.35478 -2.53614 103.325 64.1849 88.7121 -148.799 PRESSAVG: 2187000 46.5339 -63.385 18.4124 -63.3849 -35.7919 15.1848 18.4123 15.1848 -3.82033 GPRESSAVG: 2187000 48.3135 -63.7937 18.3595 -60.9341 -38.3423 13.849 19.4934 17.5001 -3.20649 TIMING: 2187000 CPU: 6345.46, 0.00290685/step Wall: 6345.46, 0.00290685/step, 2.27138 hours remaining, 207.269531 MB of memory in use. ENERGY: 2187000 751.0240 2068.8802 1955.4393 110.8490 -206207.1056 17517.6447 0.0000 0.0000 34354.8943 -149448.3741 300.0298 -183803.2685 -149345.5719 299.0783 -172.2889 -138.4723 557298.9885 2.3072 2.2549 PRESSURE: 2187200 -263.717 53.173 -169.967 53.1728 -173.344 -89.3547 -169.967 -89.3556 -239.151 GPRESSURE: 2187200 -221.185 127.935 -114.152 25.4046 -143.387 -20.1832 -238.665 -160.541 -210.902 PRESSAVG: 2187200 11.4798 -43.1074 6.29722 -43.1074 -19.5453 16.8531 6.29724 16.8531 -15.1238 GPRESSAVG: 2187200 9.83639 -42.5874 8.43741 -43.943 -18.4623 17.4594 5.2888 15.6342 -14.1919 TIMING: 2187200 CPU: 6346.04, 0.0028841/step Wall: 6346.04, 0.0028841/step, 2.25344 hours remaining, 207.269531 MB of memory in use. ENERGY: 2187200 794.6098 2127.3011 1952.1141 127.7188 -206100.4889 17487.0519 0.0000 0.0000 34045.3562 -149566.3370 297.3266 -183611.6932 -149474.2230 298.1317 -225.4040 -191.8245 557644.2594 -7.7298 -7.6060 PRESSURE: 2187400 -58.9145 80.3057 -57.065 80.3058 56.408 -16.6162 -57.0658 -16.6163 215.552 GPRESSURE: 2187400 6.50223 131.716 -79.4652 46.8126 84.0447 -32.1665 -12.6908 42.7144 225.838 PRESSAVG: 2187400 -7.96156 -36.0942 -11.0959 -36.0941 -43.8274 23.639 -11.0959 23.6391 61.8398 GPRESSAVG: 2187400 -7.32646 -34.0822 -15.111 -36.325 -43.2259 22.943 -9.67542 24.2054 60.9189 TIMING: 2187400 CPU: 6346.62, 0.0028849/step Wall: 6346.62, 0.0028849/step, 2.25391 hours remaining, 207.269531 MB of memory in use. ENERGY: 2187400 746.1556 2068.5754 1962.2146 123.2513 -206457.2623 17904.4313 0.0000 0.0000 34259.2999 -149393.3341 299.1950 -183652.6341 -149305.4705 297.8822 71.0151 105.4617 556194.4946 3.3503 3.4555 PRESSURE: 2187600 -72.2914 -87.6839 -25.0559 -87.6833 -18.7442 91.4878 -25.0562 91.4877 24.1916 GPRESSURE: 2187600 -70.6164 -34.1723 -13.8181 -45.4256 0.221916 119.673 -34.442 64.6375 102.408 PRESSAVG: 2187600 5.20571 32.2695 -5.38327 32.2695 20.899 17.1984 -5.38322 17.1985 20.536 GPRESSAVG: 2187600 5.98255 32.9074 -2.70056 32.1463 20.2504 18.6463 -7.61941 13.3233 20.8362 TIMING: 2187600 CPU: 6347.2, 0.00290827/step Wall: 6347.2, 0.00290827/step, 2.272 hours remaining, 207.269531 MB of memory in use. ENERGY: 2187600 731.5784 2097.8707 1945.3232 117.4964 -206169.1062 17634.4962 0.0000 0.0000 34404.6649 -149237.6765 300.4645 -183642.3414 -149145.6808 299.4079 -22.2813 10.6710 556283.1210 15.5469 15.6897 PRESSURE: 2187800 -28.6841 101.131 -23.8003 101.132 -386.058 -38.3422 -23.8 -38.3447 184.401 GPRESSURE: 2187800 -30.9852 121.593 17.4064 91.6608 -332.329 -135.206 -50.2391 23.1502 236.149 PRESSAVG: 2187800 67.9308 -18.1888 47.8142 -18.1887 -21.8542 -16.6709 47.8142 -16.6711 -30.8411 GPRESSAVG: 2187800 67.8306 -19.6963 47.2611 -18.1567 -22.4535 -17.5296 47.1351 -12.7793 -30.8656 TIMING: 2187800 CPU: 6347.78, 0.00290953/step Wall: 6347.78, 0.00290953/step, 2.27283 hours remaining, 207.269531 MB of memory in use. ENERGY: 2187800 758.3008 2094.8363 1983.2422 122.6006 -206237.6858 17749.5682 0.0000 0.0000 34258.1356 -149271.0021 299.1848 -183529.1377 -149174.2813 299.3952 -76.7805 -42.3885 556226.9568 5.0785 4.8372 PRESSURE: 2188000 27.4513 50.0003 -22.0116 49.9988 47.6331 46.4225 -22.012 46.4221 87.6478 GPRESSURE: 2188000 52.9798 44.8124 -38.7453 29.8281 50.3635 25.3718 100.389 -9.49252 150.138 PRESSAVG: 2188000 43.1456 40.9798 6.69746 40.9798 -11.2577 -18.718 6.6975 -18.718 -1.1159 GPRESSAVG: 2188000 41.3929 38.1888 5.48838 42.2874 -9.41288 -20.536 10.5736 -19.6517 -1.51649 TIMING: 2188000 CPU: 6348.36, 0.00291201/step Wall: 6348.36, 0.00291201/step, 2.2746 hours remaining, 207.269531 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: 2188000 728.3813 2099.2717 1952.8526 107.6676 -206629.4424 18000.8974 0.0000 0.0000 34397.2679 -149343.1039 300.3999 -183740.3718 -149250.4723 299.5018 54.2441 84.4939 555577.7400 10.2573 10.1545 PRESSURE: 2188200 -228.063 102.884 11.2404 102.885 -268.106 -120.344 11.2406 -120.344 -32.5417 GPRESSURE: 2188200 -167.761 76.3386 -19.8073 130.683 -209.532 -83.3623 -6.32677 -135.128 -50.9056 PRESSAVG: 2188200 -47.5689 -7.07061 48.8821 -7.07071 -1.2505 -1.93799 48.8823 -1.93802 53.2596 GPRESSAVG: 2188200 -46.9617 -5.04236 49.0582 -7.89414 -2.19152 -0.397538 45.8575 -2.18805 53.5324 TIMING: 2188200 CPU: 6348.94, 0.00289483/step Wall: 6348.94, 0.00289483/step, 2.26102 hours remaining, 207.269531 MB of memory in use. ENERGY: 2188200 699.8725 2058.5408 1960.1935 115.0867 -205979.3185 17577.5188 0.0000 0.0000 34235.8251 -149332.2810 298.9900 -183568.1062 -149239.0916 299.3736 -176.2368 -142.7328 558317.0742 1.4801 1.4597 LDB: ============= START OF LOAD BALANCING ============== 6352.41 LDB: ============== END OF LOAD BALANCING =============== 6352.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6352.41 LDB: ============= START OF LOAD BALANCING ============== 6352.7 LDB: Largest compute 4821 load 0.030154 is 25.6% of average load 0.117782 LDB: Average compute 0.001732 is 1.5% of average load 0.117782 LDB: TIME 6352.7 LOAD: AVG 0.117782 MAX 0.177135 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.609 MB LDB: TIME 6352.7 LOAD: AVG 0.117782 MAX 0.177135 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.812 MB LDB: TIME 6352.7 LOAD: AVG 0.117782 MAX 0.177135 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6352.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6352.71 PRESSURE: 2188400 -313.531 50.7259 79.755 50.726 -110.326 265.277 79.7554 265.279 -181.1 GPRESSURE: 2188400 -276.951 39.2556 48.0507 110.678 -91.3591 213.498 82.8207 286.245 -130.579 PRESSAVG: 2188400 -28.2057 43.9816 -12.5746 43.9815 25.7141 41.4189 -12.5746 41.419 -0.777239 GPRESSAVG: 2188400 -28.5814 43.2762 -12.0218 43.9255 26.0713 41.9744 -13.6357 39.98 -0.910685 TIMING: 2188400 CPU: 6349.53, 0.00294954/step Wall: 6349.53, 0.00294954/step, 2.30359 hours remaining, 206.187500 MB of memory in use. ENERGY: 2188400 774.6695 2129.1705 1956.4160 121.4363 -206011.1519 17638.8080 0.0000 0.0000 34080.8656 -149309.7859 297.6367 -183390.6515 -149209.1590 298.9122 -201.6524 -166.2964 557475.7431 -1.0896 -1.1402 PRESSURE: 2188600 70.4374 -54.6115 43.2493 -54.6124 94.9505 -87.4401 43.2484 -87.4393 -73.4416 GPRESSURE: 2188600 72.2454 -73.2395 105.216 -42.9958 141.03 -56.985 -34.373 -95.5403 -21.1926 PRESSAVG: 2188600 6.4395 -6.39796 -18.6429 -6.39786 -43.7529 -9.7456 -18.6428 -9.74563 48.6069 GPRESSAVG: 2188600 6.95212 -7.01393 -18.5424 -6.20852 -44.4597 -11.2922 -16.9732 -7.09911 49.0897 TIMING: 2188600 CPU: 6350.11, 0.00290052/step Wall: 6350.11, 0.00290052/step, 2.26514 hours remaining, 206.589844 MB of memory in use. ENERGY: 2188600 717.5332 2096.2157 1984.3124 119.2919 -206417.9631 17936.4254 0.0000 0.0000 34237.7488 -149326.4357 299.0068 -183564.1844 -149233.1934 298.6168 30.6488 64.0277 557379.8353 3.7645 3.8607 PRESSURE: 2188800 -31.2391 97.6489 -101.204 97.6474 8.7545 -60.2803 -101.204 -60.281 -167.197 GPRESSURE: 2188800 -20.5868 170.678 -72.746 70.0032 6.02211 -109.112 -147.429 -19.54 -82.1073 PRESSAVG: 2188800 -3.37098 37.5015 -36.6164 37.5014 18.3957 -18.0301 -36.6164 -18.0301 -15.4578 GPRESSAVG: 2188800 -3.48514 39.4709 -35.9452 37.5911 20.4398 -17.9377 -37.4877 -17.8042 -17.5051 TIMING: 2188800 CPU: 6350.69, 0.00288413/step Wall: 6350.69, 0.00288413/step, 2.25219 hours remaining, 206.589844 MB of memory in use. ENERGY: 2188800 725.5970 2178.0596 1994.3458 114.8983 -206071.6478 17706.4853 0.0000 0.0000 34385.4768 -148966.7850 300.2969 -183352.2618 -148868.5792 298.8720 -63.2273 -32.2240 558852.2288 -0.1444 -0.1835 PRESSURE: 2189000 319.5 -38.7701 162.197 -38.7693 7.86791 -44.9434 162.196 -44.9421 120.718 GPRESSURE: 2189000 313.441 -51.2429 107.646 -6.92938 80.5721 -18.3287 181.32 -94.7083 159.006 PRESSAVG: 2189000 -24.5207 -16.1761 22.836 -16.176 9.13137 -6.92416 22.8359 -6.92408 16.668 GPRESSAVG: 2189000 -25.129 -18.3175 22.4867 -14.8096 8.3829 -5.56034 25.072 -8.55774 18.477 TIMING: 2189000 CPU: 6351.27, 0.00290023/step Wall: 6351.27, 0.00290023/step, 2.26459 hours remaining, 206.589844 MB of memory in use. ENERGY: 2189000 713.2267 2145.2384 1940.7842 116.1865 -205880.8282 17782.5119 0.0000 0.0000 34179.6818 -149003.1987 298.4997 -183182.8805 -148908.2129 299.2086 149.3621 184.3397 556171.4564 0.4262 0.5770 PRESSURE: 2189200 -22.663 172.673 -134.774 172.674 120.9 -86.1973 -134.774 -86.1964 -175.627 GPRESSURE: 2189200 83.9749 269.731 -146.354 153.489 120.155 -163.341 -142.146 -72.1125 -192.891 PRESSAVG: 2189200 -5.29576 -2.70326 25.1522 -2.70328 23.0825 14.4719 25.1521 14.4718 -18.1586 GPRESSAVG: 2189200 -5.00749 -1.09446 25.4608 -3.25377 23.5508 14.4755 23.7251 16.2232 -18.5325 TIMING: 2189200 CPU: 6351.85, 0.00291108/step Wall: 6351.85, 0.00291108/step, 2.2729 hours remaining, 206.589844 MB of memory in use. ENERGY: 2189200 711.2790 2097.9299 1965.9644 112.2746 -205906.2648 17620.5200 0.0000 0.0000 34226.9766 -149171.3204 298.9127 -183398.2969 -149075.6346 299.1816 -25.7966 3.7464 556652.8553 -0.1240 0.0036 PRESSURE: 2189400 151.457 -45.2203 10.4483 -45.2203 85.3257 95.909 10.4476 95.909 49.2662 GPRESSURE: 2189400 239.637 6.61071 -48.4948 -66.4561 130.358 71.3066 102.016 101.828 19.2246 PRESSAVG: 2189400 20.5895 4.30951 -32.1431 4.30946 19.8671 -13.5758 -32.1432 -13.5759 -11.2356 GPRESSAVG: 2189400 21.238 3.82254 -32.0904 2.6583 19.4537 -12.2545 -32.336 -15.4726 -10.9849 TIMING: 2189400 CPU: 6352.43, 0.00289902/step Wall: 6352.43, 0.00289902/step, 2.26333 hours remaining, 206.589844 MB of memory in use. ENERGY: 2189400 750.3080 2143.4009 1973.9853 118.5839 -206454.8658 18045.3344 0.0000 0.0000 34133.5724 -149289.6809 298.0970 -183423.2534 -149202.4053 299.5238 95.3498 129.7400 556489.3378 9.7403 9.9023 PRESSURE: 2189600 -234.951 -186.672 323.366 -186.671 -73.1621 -8.58377 323.367 -8.58343 -106.286 GPRESSURE: 2189600 -167.555 -127.842 347.923 -225.883 -57.5651 -17.6139 257.765 0.0680889 -96.3119 PRESSAVG: 2189600 -26.851 29.2626 9.96376 29.2626 58.5423 -16.7153 9.96378 -16.7152 -0.167673 GPRESSAVG: 2189600 -27.1015 30.0606 9.98519 29.8941 58.9673 -18.0329 10.2178 -16.8216 -0.105356 TIMING: 2189600 CPU: 6353.01, 0.00288004/step Wall: 6353.01, 0.00288004/step, 2.24835 hours remaining, 206.589844 MB of memory in use. ENERGY: 2189600 752.5630 2129.2711 1958.3329 121.1896 -206191.4536 17698.6407 0.0000 0.0000 34186.9720 -149344.4843 298.5633 -183531.4563 -149244.3844 299.4597 -138.1329 -107.1439 556680.2382 10.5079 10.5868 PRESSURE: 2189800 -151.253 119.538 19.1484 119.538 -47.297 135.578 19.1486 135.578 -64.188 GPRESSURE: 2189800 -147.122 93.0374 123.951 187.363 9.48291 202.15 -45.8029 100.25 -36.2967 PRESSAVG: 2189800 -30.5485 25.1465 -24.4086 25.1465 6.42599 26.4551 -24.4087 26.4551 7.41097 GPRESSAVG: 2189800 -30.2108 19.8465 -25.0871 26.5165 7.16958 28.203 -23.436 27.4739 6.01356 TIMING: 2189800 CPU: 6353.58, 0.00287871/step Wall: 6353.58, 0.00287871/step, 2.24715 hours remaining, 206.589844 MB of memory in use. ENERGY: 2189800 724.3510 2099.1519 1996.9102 109.8351 -206202.4704 17671.5133 0.0000 0.0000 34273.9132 -149326.7958 299.3226 -183600.7090 -149223.8240 298.4013 -87.5795 -57.9785 557070.9736 -5.5705 -5.6759 PRESSURE: 2190000 38.2253 -99.1577 241.037 -99.1582 6.8006 -106.644 241.036 -106.644 324.949 GPRESSURE: 2190000 119.5 -99.871 192.849 -35.6428 46.4623 -70.6583 207.532 -34.5965 293.673 PRESSAVG: 2190000 -46.14 14.8304 -1.03506 14.8305 -6.64654 4.12872 -1.0351 4.12868 37.6468 GPRESSAVG: 2190000 -47.1901 17.7546 0.217005 14.1751 -7.5524 3.46972 -2.34722 4.85478 39.2969 TIMING: 2190000 CPU: 6354.16, 0.0028703/step Wall: 6354.16, 0.0028703/step, 2.24043 hours remaining, 206.589844 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: 2190000 744.7243 2098.8336 1955.1604 130.3448 -206424.3735 17944.1024 0.0000 0.0000 34265.1677 -149286.0402 299.2462 -183551.2079 -149193.8572 298.6650 123.3251 153.2120 555579.1291 -5.0466 -5.1485 PRESSURE: 2190200 19.6487 83.23 -44.1053 83.2299 162.886 64.0934 -44.1055 64.0926 133.503 GPRESSURE: 2190200 0.699865 70.8318 -159.492 143.848 238.319 86.4849 102.671 0.90663 190.017 PRESSAVG: 2190200 22.8465 34.0967 -63.9454 34.0968 -20.5584 41.8316 -63.9454 41.8316 24.6635 GPRESSAVG: 2190200 23.4743 33.9751 -63.6526 34.4363 -20.1085 41.5508 -64.6604 41.7692 24.0649 TIMING: 2190200 CPU: 6354.74, 0.00289146/step Wall: 6354.74, 0.00289146/step, 2.25679 hours remaining, 206.648438 MB of memory in use. ENERGY: 2190200 706.5687 2078.8573 1980.7442 109.9405 -206457.9103 18063.5335 0.0000 0.0000 34322.0607 -149196.2055 299.7431 -183518.2662 -149102.5838 299.0175 105.3459 143.0120 557249.5682 8.9839 9.1436 PRESSURE: 2190400 -163.504 -140.142 70.8892 -140.14 65.0794 23.7896 70.8899 23.7907 -32.6133 GPRESSURE: 2190400 -117.066 -61.0494 10.7227 -125.326 99.7195 23.7855 92.17 53.9236 -16.8611 PRESSAVG: 2190400 27.064 1.26952 -13.731 1.2696 -1.40836 24.7994 -13.731 24.7995 -51.5016 GPRESSAVG: 2190400 26.0818 1.98461 -16.3309 1.59638 -1.40017 27.4131 -11.8703 23.2405 -51.2244 TIMING: 2190400 CPU: 6355.31, 0.00288574/step Wall: 6355.31, 0.00288573/step, 2.25216 hours remaining, 206.660156 MB of memory in use. ENERGY: 2190400 704.0928 2069.7676 1978.8593 115.3861 -205909.9051 17662.5204 0.0000 0.0000 34267.0024 -149112.2765 299.2623 -183379.2788 -149017.2994 298.6604 -43.6794 -11.4026 558247.7813 -8.6153 -8.8476 PRESSURE: 2190600 377.951 -95.3166 -49.6647 -95.3172 179.375 141.245 -49.6655 141.244 92.8557 GPRESSURE: 2190600 412.606 51.4113 -125.39 -170.926 240.655 209.708 -60.1479 93.845 93.9132 PRESSAVG: 2190600 -9.65257 -36.6674 -14.6273 -36.6674 70.6923 31.3102 -14.6274 31.3102 -55.9403 GPRESSAVG: 2190600 -8.73145 -36.6967 -14.4872 -37.5711 70.7577 29.4313 -15.9194 31.2631 -56.8243 TIMING: 2190600 CPU: 6355.89, 0.00288289/step Wall: 6355.89, 0.00288289/step, 2.24978 hours remaining, 206.660156 MB of memory in use. ENERGY: 2190600 736.5592 2035.8831 1972.9070 122.5904 -206277.3998 18110.1268 0.0000 0.0000 34261.3578 -149037.9755 299.2130 -183299.3332 -148945.4583 299.9345 216.7274 249.0580 557692.4448 1.6998 1.7340 PRESSURE: 2190800 296.6 -225.461 -62.8247 -225.46 146.741 -112.607 -62.8252 -112.608 222.838 GPRESSURE: 2190800 315.144 -258.782 -2.67668 -216.458 180.816 -51.8993 4.25052 -154.514 272.204 PRESSAVG: 2190800 42.7851 -21.1864 3.86874 -21.1864 -39.7742 19.7706 3.86874 19.7707 -3.3496 GPRESSAVG: 2190800 41.5495 -20.8786 6.34574 -20.3526 -39.4906 16.5086 3.00926 22.1754 -2.34263 TIMING: 2190800 CPU: 6356.47, 0.0028894/step Wall: 6356.47, 0.0028894/step, 2.2547 hours remaining, 206.660156 MB of memory in use. ENERGY: 2190800 752.0315 2116.8741 1930.4440 115.1027 -206592.4173 18280.0043 0.0000 0.0000 34400.4476 -148997.5132 300.4277 -183397.9608 -148889.1009 300.2934 222.0597 256.0547 557982.2125 -0.1129 -0.0946 PRESSURE: 2191000 -359.031 124.646 26.0965 124.646 -97.8376 -178.122 26.0968 -178.124 -201.976 GPRESSURE: 2191000 -299.802 110.468 69.1308 144.763 -79.679 -46.352 -23.328 -179.045 -189.622 PRESSAVG: 2191000 64.2047 35.6963 40.7564 35.6963 -78.6997 13.0502 40.7563 13.0501 65.4666 GPRESSAVG: 2191000 65.3508 35.1999 40.5215 36.8254 -79.9384 16.3854 41.5403 11.0888 65.1737 TIMING: 2191000 CPU: 6357.04, 0.00288696/step Wall: 6357.04, 0.00288696/step, 2.25263 hours remaining, 206.660156 MB of memory in use. ENERGY: 2191000 750.0368 2112.9326 1932.1432 104.5642 -205680.2092 17386.7009 0.0000 0.0000 34303.2050 -149090.6266 299.5784 -183393.8315 -148991.0516 300.0382 -219.6148 -189.7010 558342.6655 16.9905 16.8620 PRESSURE: 2191200 66.5939 115.902 2.21984 115.901 -234.461 56.1949 2.22065 56.1955 84.3322 GPRESSURE: 2191200 94.6024 120.976 28.7302 75.7843 -238.621 95.0802 84.3941 -21.7219 159.846 PRESSAVG: 2191200 -34.9981 -14.3297 7.16017 -14.3296 0.387747 -5.10386 7.16031 -5.10397 6.89659 GPRESSAVG: 2191200 -35.2973 -12.8865 6.40401 -15.5982 0.780824 -5.19398 7.31273 -7.26958 6.86638 TIMING: 2191200 CPU: 6357.62, 0.00288739/step Wall: 6357.62, 0.00288739/step, 2.25281 hours remaining, 206.660156 MB of memory in use. ENERGY: 2191200 724.7514 2094.4339 1957.4421 98.9231 -206134.5109 17805.9381 0.0000 0.0000 34260.0626 -149192.9598 299.2016 -183453.0223 -149097.5435 299.4123 -27.8449 5.2756 558381.6228 -9.2379 -9.2167 PRESSURE: 2191400 -114.904 -21.3333 -115.297 -21.3331 -21.8169 141.254 -115.297 141.253 19.2835 GPRESSURE: 2191400 -87.1627 -51.9907 -98.843 -45.2491 -9.91124 161.331 -86.064 128.039 79.1102 PRESSAVG: 2191400 -23.1928 -17.2879 0.0523798 -17.2879 -5.5036 -5.49356 0.0524507 -5.49352 -16.0772 GPRESSAVG: 2191400 -22.7051 -17.9668 -0.705312 -17.094 -6.33872 -7.01139 -0.757835 -3.2168 -15.6539 TIMING: 2191400 CPU: 6358.2, 0.00290396/step Wall: 6358.2, 0.00290396/step, 2.26558 hours remaining, 206.660156 MB of memory in use. ENERGY: 2191400 720.2102 2088.2431 1974.8435 122.6232 -206308.4157 17844.3502 0.0000 0.0000 34174.2366 -149383.9089 298.4521 -183558.1455 -149292.4558 298.6479 -39.1458 -5.9879 558425.6854 -14.9245 -14.8992 PRESSURE: 2191600 -133.587 -47.6621 -87.2496 -47.6608 -63.5948 9.79384 -87.2497 9.79407 -126.128 GPRESSURE: 2191600 -76.7844 -56.159 -38.2175 -23.4374 -5.25587 -15.9223 -170.225 47.2589 -141.723 PRESSAVG: 2191600 -34.141 19.0362 -1.77809 19.0362 5.04432 -40.2081 -1.77819 -40.2082 46.446 GPRESSAVG: 2191600 -34.4951 21.0623 -0.588759 18.2529 7.25722 -37.4485 -0.917067 -40.3808 44.2319 TIMING: 2191600 CPU: 6358.79, 0.00291695/step Wall: 6358.79, 0.00291695/step, 2.27555 hours remaining, 206.660156 MB of memory in use. ENERGY: 2191600 743.3991 2088.7288 1973.2021 120.4661 -206255.4075 17747.3239 0.0000 0.0000 34194.1455 -149388.1419 298.6260 -183582.2874 -149287.9442 299.1468 -107.7699 -74.5879 559659.1417 5.7831 5.6647 PRESSURE: 2191800 -180.664 -162.188 -14.8351 -162.188 -147.528 -78.9179 -14.835 -78.9172 60.2866 GPRESSURE: 2191800 -202.67 -230.002 8.01715 -66.5533 -99.4628 -118.16 11.9074 -89.1568 127.971 PRESSAVG: 2191800 9.58803 -31.921 -20.5536 -31.9211 -4.25004 -33.1236 -20.5536 -33.1237 2.94977 GPRESSAVG: 2191800 9.63566 -34.2863 -21.3332 -31.0203 -4.791 -34.5284 -19.3777 -31.7389 3.07829 TIMING: 2191800 CPU: 6359.37, 0.00290631/step Wall: 6359.37, 0.00290631/step, 2.26708 hours remaining, 206.660156 MB of memory in use. ENERGY: 2191800 782.5633 2086.8888 1963.9685 102.2141 -205856.4383 17669.7396 0.0000 0.0000 34056.3936 -149194.6704 297.4230 -183251.0640 -149097.0943 299.1883 -89.3018 -58.0540 557724.2905 2.7626 2.6410 PRESSURE: 2192000 -110.054 -87.4909 -121.707 -87.4921 -260.218 -158.556 -121.707 -158.556 133.084 GPRESSURE: 2192000 -70.6245 -20.9648 -90.167 -115.391 -234.523 -112.789 -123.389 -202.137 166.94 PRESSAVG: 2192000 -7.06686 23.2705 -4.23017 23.2705 24.6093 -24.2654 -4.23011 -24.2655 30.8171 GPRESSAVG: 2192000 -8.07317 24.0309 -5.30182 24.9803 23.7565 -23.1508 -4.24447 -27.6927 31.9586 TIMING: 2192000 CPU: 6359.94, 0.00286597/step Wall: 6359.94, 0.00286597/step, 2.23546 hours remaining, 206.660156 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: 2192000 760.5530 2135.8315 1971.5205 121.3249 -206089.7255 17722.4180 0.0000 0.0000 34147.6243 -149230.4532 298.2197 -183378.0775 -149144.5427 299.5402 -79.0625 -46.0692 557511.9622 16.1198 15.8807 PRESSURE: 2192200 -230.111 -101.966 -81.0342 -101.966 -67.3953 -122.45 -81.0334 -122.45 -176.709 GPRESSURE: 2192200 -168.143 -99.3657 -148.778 19.9989 -34.6601 -229.084 -123.719 -81.3226 -176.882 PRESSAVG: 2192200 -19.9005 -39.9833 -24.622 -39.9833 0.993729 -24.163 -24.622 -24.163 -11.3862 GPRESSAVG: 2192200 -19.4191 -38.0917 -23.7299 -42.525 0.882487 -24.4926 -23.7696 -21.63 -11.1928 TIMING: 2192200 CPU: 6360.52, 0.00288062/step Wall: 6360.52, 0.00288062/step, 2.24672 hours remaining, 206.660156 MB of memory in use. ENERGY: 2192200 732.9396 2177.7317 1946.8912 112.0558 -206102.6260 17661.2245 0.0000 0.0000 34233.6563 -149238.1269 298.9710 -183471.7831 -149139.2834 299.0989 -158.0718 -126.5616 558022.9976 -10.0976 -9.9098 LDB: ============= START OF LOAD BALANCING ============== 6363.98 LDB: ============== END OF LOAD BALANCING =============== 6363.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6363.98 LDB: ============= START OF LOAD BALANCING ============== 6364.27 LDB: Largest compute 4821 load 0.030310 is 25.7% of average load 0.117780 LDB: Average compute 0.001723 is 1.5% of average load 0.117780 LDB: TIME 6364.27 LOAD: AVG 0.11778 MAX 0.174327 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.305 MB LDB: TIME 6364.27 LOAD: AVG 0.11778 MAX 0.174327 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 6364.27 LOAD: AVG 0.11778 MAX 0.174327 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6364.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6364.28 PRESSURE: 2192400 -321.423 -133.22 78.2149 -133.221 -14.9061 -56.0315 78.2144 -56.0315 -167.731 GPRESSURE: 2192400 -284.684 -80.1903 85.511 -101.757 10.2726 -75.1662 82.6547 -19.8262 -131.079 PRESSAVG: 2192400 -88.2864 -39.7662 38.5348 -39.7662 41.0509 -32.1556 38.5348 -32.1557 45.5931 GPRESSAVG: 2192400 -87.5166 -40.9639 39.1036 -39.1292 40.8899 -31.6716 36.7172 -33.0909 45.2302 TIMING: 2192400 CPU: 6361.1, 0.00293268/step Wall: 6361.1, 0.00293268/step, 2.28716 hours remaining, 206.769531 MB of memory in use. ENERGY: 2192400 734.5780 2139.5076 1946.8532 104.6049 -205827.5348 17497.3187 0.0000 0.0000 34057.2357 -149347.4367 297.4303 -183404.6724 -149249.8477 299.5712 -168.0200 -135.1634 558595.6578 -0.5475 -0.4655 PRESSURE: 2192600 240.452 -34.9474 156.726 -34.9472 60.8906 -67.7624 156.726 -67.7628 209.864 GPRESSURE: 2192600 304.119 -4.92083 83.2647 -141.838 107.865 26.1945 168.295 -146.301 207.095 PRESSAVG: 2192600 -61.5756 -39.2729 -21.5606 -39.2729 38.8854 -45.5591 -21.5607 -45.559 16.6507 GPRESSAVG: 2192600 -62.0791 -40.7623 -20.2305 -41.0013 40.6465 -47.0304 -21.5014 -44.6468 15.8137 TIMING: 2192600 CPU: 6361.68, 0.00286976/step Wall: 6361.68, 0.00286976/step, 2.23794 hours remaining, 206.968750 MB of memory in use. ENERGY: 2192600 719.0435 2155.5765 1962.0263 129.3377 -206559.5277 18156.7689 0.0000 0.0000 34059.0032 -149377.7716 297.4457 -183436.7748 -149279.6994 298.6812 170.4021 206.3599 557334.9943 -2.0132 -1.8730 PRESSURE: 2192800 -113.234 0.409539 -207.619 0.409355 220.791 35.5099 -207.619 35.5105 63.0239 GPRESSURE: 2192800 -137.378 -80.7565 -185.245 -41.7423 258.967 -35.5151 -267.384 -14.2723 145.139 PRESSAVG: 2192800 -97.9501 -20.0087 -36.3814 -20.0086 65.1739 -47.922 -36.3814 -47.9219 14.9573 GPRESSAVG: 2192800 -96.7392 -17.3357 -39.6194 -19.1311 63.0057 -50.7121 -35.6629 -47.1611 15.6097 TIMING: 2192800 CPU: 6362.25, 0.00288447/step Wall: 6362.25, 0.00288447/step, 2.24925 hours remaining, 206.968750 MB of memory in use. ENERGY: 2192800 747.5713 2149.9612 1982.6314 119.4545 -206773.3614 18115.4368 0.0000 0.0000 34251.8127 -149406.4936 299.1296 -183658.3062 -149304.4980 299.6237 56.8600 88.9094 558536.9508 -5.9396 -6.0413 PRESSURE: 2193000 -5.85214 -101.071 -51.4356 -101.071 241.572 3.15174 -51.4347 3.15243 284.707 GPRESSURE: 2193000 46.2691 -94.5671 -43.4803 -117.382 275.182 -77.2397 -78.6388 37.8818 292.231 PRESSAVG: 2193000 -19.7578 -7.42853 1.36001 -7.42854 97.6296 13.2494 1.36 13.2492 -96.5916 GPRESSAVG: 2193000 -19.8057 -8.82309 3.87126 -5.94686 98.1184 15.942 -0.0461853 12.4333 -97.2423 TIMING: 2193000 CPU: 6362.83, 0.0028806/step Wall: 6362.83, 0.0028806/step, 2.24607 hours remaining, 206.968750 MB of memory in use. ENERGY: 2193000 703.7516 2126.1338 1973.4582 115.9978 -206625.5120 18114.2787 0.0000 0.0000 34258.9237 -149332.9683 299.1917 -183591.8920 -149231.5087 299.0179 173.4756 204.5607 556578.3677 -6.2399 -6.3098 PRESSURE: 2193200 -287.595 -10.1726 78.7623 -10.1732 -492.099 -52.3638 78.7621 -52.3636 174.889 GPRESSURE: 2193200 -180.331 -7.53767 79.757 -90.8882 -441.729 -77.0586 134.367 -89.4469 111.586 PRESSAVG: 2193200 -30.2279 -32.9215 -2.74848 -32.9215 21.6472 6.83331 -2.7486 6.83338 25.7088 GPRESSAVG: 2193200 -31.776 -31.8466 -3.81307 -35.7018 20.9809 5.2891 -3.65825 6.4509 28.09 TIMING: 2193200 CPU: 6363.41, 0.00290208/step Wall: 6363.41, 0.00290208/step, 2.26265 hours remaining, 207.039062 MB of memory in use. ENERGY: 2193200 704.2795 2114.9469 1959.5629 123.1747 -206289.9224 17755.8589 0.0000 0.0000 34256.1898 -149375.9096 299.1678 -183632.0994 -149287.4078 298.7421 -201.6017 -170.1580 558765.0242 5.7093 5.7650 PRESSURE: 2193400 50.9335 97.6013 -14.3752 97.6006 -165.183 67.232 -14.3762 67.2325 -47.9863 GPRESSURE: 2193400 37.4271 157.528 18.7566 93.8311 -127.955 17.9663 77.369 96.1223 28.9169 PRESSAVG: 2193400 -12.9494 30.8592 27.5503 30.8593 -35.7571 -7.18008 27.5503 -7.17996 20.788 GPRESSAVG: 2193400 -13.3245 29.1552 28.2446 32.4984 -34.7286 -5.57217 30.6005 -6.90862 19.5021 TIMING: 2193400 CPU: 6364, 0.00292136/step Wall: 6364, 0.00292136/step, 2.27753 hours remaining, 207.039062 MB of memory in use. ENERGY: 2193400 795.8779 2077.2730 1977.6489 115.3767 -206508.8537 17893.4977 0.0000 0.0000 34219.8301 -149429.3493 298.8503 -183649.1794 -149331.9382 297.7075 -54.0785 -20.5372 559167.3554 -9.3062 -9.5170 PRESSURE: 2193600 -286.33 -49.9902 88.9718 -49.9887 -166.27 -89.4442 88.971 -89.4462 -255.763 GPRESSURE: 2193600 -227.151 -70.5556 94.7559 -68.1698 -177.428 -14.9158 64.9769 -146.103 -201.901 PRESSAVG: 2193600 -53.2143 41.6369 54.3511 41.637 28.9613 -5.07474 54.3511 -5.07482 55.0187 GPRESSAVG: 2193600 -53.053 42.042 52.7914 41.4561 28.3804 -6.65861 52.731 -6.28845 55.4662 TIMING: 2193600 CPU: 6364.58, 0.00291442/step Wall: 6364.58, 0.00291442/step, 2.27195 hours remaining, 207.039062 MB of memory in use. ENERGY: 2193600 767.8481 2092.9887 1940.0482 116.1466 -205991.7538 17531.1759 0.0000 0.0000 34166.8218 -149376.7244 298.3874 -183543.5462 -149285.8632 298.7379 -236.1210 -202.1602 557578.2710 10.2552 10.2645 PRESSURE: 2193800 57.2254 110.227 -9.61439 110.227 -22.9366 -3.58639 -9.61472 -3.58774 -78.3919 GPRESSURE: 2193800 64.437 149.53 58.0072 69.0135 -19.5267 -112.233 -38.8327 10.062 13.1233 PRESSAVG: 2193800 15.842 30.5347 -10.5301 30.5347 -24.2212 -64.6765 -10.5302 -64.6766 -0.659614 GPRESSAVG: 2193800 15.7245 32.4108 -8.9079 29.7916 -24.0531 -62.6922 -10.4239 -65.2101 -1.26123 TIMING: 2193800 CPU: 6365.16, 0.00289423/step Wall: 6365.16, 0.00289423/step, 2.25606 hours remaining, 207.039062 MB of memory in use. ENERGY: 2193800 738.4838 2153.5724 1956.0913 120.9222 -205966.4005 17711.1033 0.0000 0.0000 33881.6649 -149404.5626 295.8970 -183286.2275 -149319.6552 298.2334 -14.7010 19.3445 557050.5783 -3.0129 -3.1966 PRESSURE: 2194000 -49.4087 -77.9356 87.3952 -77.9362 125.834 -42.8587 87.3952 -42.8582 261 GPRESSURE: 2194000 1.23642 -58.2132 69.7485 -54.8124 183.944 -28.9754 -46.383 -49.6946 245.298 PRESSAVG: 2194000 72.4065 24.5194 -45.9007 24.5194 -63.5898 11.8976 -45.9006 11.8976 31.4361 GPRESSAVG: 2194000 71.7799 24.3983 -45.0569 23.3734 -62.6507 12.1796 -48.979 11.2374 30.7349 TIMING: 2194000 CPU: 6365.74, 0.0028919/step Wall: 6365.74, 0.0028919/step, 2.25407 hours remaining, 207.039062 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: 2194000 740.2431 2102.1437 1968.8939 130.3570 -206378.1479 17938.1793 0.0000 0.0000 34011.6127 -149486.7182 297.0319 -183498.3310 -149393.2099 297.8285 112.4753 143.4926 556863.0107 13.4176 13.2880 PRESSURE: 2194200 182.015 28.8152 -165.324 28.8138 159.923 32.426 -165.324 32.4266 -121.01 GPRESSURE: 2194200 170.865 -17.8754 -189.515 -38.4356 204.773 -0.808432 -161.337 65.749 -52.6761 PRESSAVG: 2194200 -40.3535 -1.9308 -48.9774 -1.93075 25.8182 -23.888 -48.9774 -23.888 39.251 GPRESSAVG: 2194200 -40.1616 -3.75352 -50.1374 -0.124148 24.7032 -25.8962 -46.0709 -21.525 39.9969 TIMING: 2194200 CPU: 6366.31, 0.00289398/step Wall: 6366.31, 0.00289398/step, 2.25553 hours remaining, 207.039062 MB of memory in use. ENERGY: 2194200 738.8925 2036.8397 1984.0820 115.3948 -206563.9718 18036.8478 0.0000 0.0000 34140.4936 -149511.4213 298.1574 -183651.9150 -149416.2499 298.2475 73.6426 107.6539 557007.1379 8.2386 8.1795 PRESSURE: 2194400 -31.2984 7.79959 -11.0276 7.79929 -251.432 49.3699 -11.029 49.3721 -67.3115 GPRESSURE: 2194400 8.1173 -29.4969 -83.0375 52.8061 -217.994 16.7883 -21.7343 56.028 -25.3437 PRESSAVG: 2194400 -10.2917 -10.0168 -10.1937 -10.0169 70.7696 -10.3772 -10.1937 -10.3772 -24.0757 GPRESSAVG: 2194400 -9.87844 -10.0004 -11.5404 -10.0108 70.9612 -9.45125 -9.7531 -11.9487 -24.581 TIMING: 2194400 CPU: 6366.9, 0.00290873/step Wall: 6366.9, 0.00290873/step, 2.26687 hours remaining, 207.039062 MB of memory in use. ENERGY: 2194400 767.5445 2088.9099 1962.6933 124.8125 -206348.0127 17818.7942 0.0000 0.0000 34177.4731 -149407.7852 298.4804 -183585.2583 -149307.7367 298.1573 -116.6807 -78.4067 558731.7701 12.1341 12.1673 PRESSURE: 2194600 -164.611 134.295 -109.206 134.293 -289.559 33.8931 -109.206 33.8916 -56.1458 GPRESSURE: 2194600 -98.992 153.731 4.45804 85.0607 -297.277 80.1833 -153.94 44.8396 -24.2112 PRESSAVG: 2194600 -3.10514 28.1755 53.5939 28.1755 6.83634 5.1845 53.5939 5.18452 39.8448 GPRESSAVG: 2194600 -3.36832 31.0972 55.6312 27.2312 7.46585 5.59213 53.4051 6.80088 39.616 TIMING: 2194600 CPU: 6367.47, 0.00288464/step Wall: 6367.47, 0.00288464/step, 2.24794 hours remaining, 207.039062 MB of memory in use. ENERGY: 2194600 773.3413 2100.3717 1962.1020 107.4566 -206219.7057 17649.7449 0.0000 0.0000 34098.6376 -149528.0517 297.7919 -183626.6892 -149429.7266 297.9319 -170.1054 -140.1601 557851.4209 14.5253 14.5712 PRESSURE: 2194800 -244.158 14.5566 26.2353 14.5553 -224.433 8.54805 26.2355 8.54823 -379.225 GPRESSURE: 2194800 -207.216 -61.3773 39.3312 -31.1897 -240.888 -88.4672 5.20073 72.4678 -311.041 PRESSAVG: 2194800 -46.9063 26.6605 5.48156 26.6604 -53.6338 30.3413 5.48151 30.3413 69.9228 GPRESSAVG: 2194800 -46.2791 24.4958 4.13497 27.6224 -54.853 28.7236 5.79747 30.09 70.7391 TIMING: 2194800 CPU: 6368.05, 0.00288583/step Wall: 6368.05, 0.00288583/step, 2.2487 hours remaining, 207.039062 MB of memory in use. ENERGY: 2194800 770.5279 2106.8611 1948.5531 109.7284 -206213.4969 17600.7342 0.0000 0.0000 34221.9042 -149455.1881 298.8684 -183677.0922 -149351.9688 297.3292 -282.6054 -253.0484 559180.2122 -10.2058 -10.1310 PRESSURE: 2195000 104.546 112.947 3.63447 112.947 -79.2984 8.5175 3.63357 8.51551 412.477 GPRESSURE: 2195000 145.549 121.408 -11.0466 -5.00399 -58.2713 -26.149 54.3188 85.316 436.271 PRESSAVG: 2195000 40.0718 25.786 -32.198 25.786 21.5068 63.466 -32.1979 63.466 -63.3207 GPRESSAVG: 2195000 39.2957 26.9902 -32.45 25.5604 21.256 63.2799 -30.5706 64.362 -62.3198 TIMING: 2195000 CPU: 6368.63, 0.00289356/step Wall: 6368.63, 0.00289356/step, 2.25457 hours remaining, 207.039062 MB of memory in use. ENERGY: 2195000 738.7741 2092.5913 1930.4001 116.3730 -206278.7090 17824.8641 0.0000 0.0000 34210.3083 -149365.3981 298.7671 -183575.7064 -149281.0640 298.2104 145.9083 174.5164 556149.6941 -0.5807 -0.5894 PRESSURE: 2195200 -34.3931 157.137 -120.132 157.139 55.3344 -4.68355 -120.131 -4.68259 93.1289 GPRESSURE: 2195200 56.1789 134.273 -159.603 128.833 106.352 -42.3813 -142.064 6.37696 46.3161 PRESSAVG: 2195200 29.4031 -16.3448 -9.93992 -16.3448 -2.93412 37.6216 -9.93976 37.6217 -46.3695 GPRESSAVG: 2195200 29.0576 -19.1542 -10.8495 -15.8504 -1.6264 38.9647 -12.746 36.0533 -47.201 TIMING: 2195200 CPU: 6369.21, 0.00289053/step Wall: 6369.21, 0.00289053/step, 2.25205 hours remaining, 207.039062 MB of memory in use. ENERGY: 2195200 743.2512 2039.8396 1931.0925 121.6018 -206367.7300 17848.2038 0.0000 0.0000 34278.4649 -149405.2761 299.3624 -183683.7409 -149309.6239 298.4220 38.0234 69.6157 556247.1328 -6.6335 -6.5899 PRESSURE: 2195400 -220.898 -24.0753 -15.1697 -24.075 130.928 96.1915 -15.168 96.1926 36.5738 GPRESSURE: 2195400 -190.414 38.0526 -9.50644 -80.6816 137.019 28.8318 -103.182 149.866 91.1367 PRESSAVG: 2195400 8.91911 35.7267 -37.1964 35.7267 -29.2681 6.77076 -37.1963 6.7708 53.257 GPRESSAVG: 2195400 9.6704 38.3668 -35.2079 33.7717 -30.2323 5.79341 -36.8187 7.24725 54.0429 TIMING: 2195400 CPU: 6369.78, 0.00288178/step Wall: 6369.78, 0.00288178/step, 2.24507 hours remaining, 207.039062 MB of memory in use. ENERGY: 2195400 726.0313 2113.0610 1969.1793 108.6484 -206062.0514 17630.3299 0.0000 0.0000 34411.9385 -149102.8630 300.5280 -183514.8015 -149004.2656 299.0971 -17.7986 12.5805 556622.7457 10.9694 11.1603 PRESSURE: 2195600 -19.7087 8.84957 -41.0357 8.84926 -131.558 79.1992 -41.0361 79.2009 1.94752 GPRESSURE: 2195600 6.23072 0.776584 -77.0686 39.9733 -98.6787 54.1319 16.7107 148.51 23.5544 PRESSAVG: 2195600 -40.6301 23.3308 -10.2417 23.3307 -24.491 -2.67222 -10.2417 -2.67215 61.342 GPRESSAVG: 2195600 -39.6179 22.6381 -10.4453 24.1946 -24.2429 -1.88956 -11.1415 -3.56628 60.1379 TIMING: 2195600 CPU: 6370.36, 0.00289247/step Wall: 6370.36, 0.00289247/step, 2.25324 hours remaining, 207.039062 MB of memory in use. ENERGY: 2195600 712.2744 2088.2510 1944.8116 117.2312 -206145.4963 17680.7050 0.0000 0.0000 34432.3805 -149169.8427 300.7065 -183602.2232 -149078.5705 299.8221 -49.7731 -22.9645 556934.2016 -1.2597 -1.2410 PRESSURE: 2195800 -393.93 99.9389 -117.053 99.939 -68.8819 -19.2936 -117.055 -19.2935 -39.0466 GPRESSURE: 2195800 -301.705 126.583 -67.2279 -50.1669 -104.455 -45.34 -15.9008 -23.4756 -2.00041 PRESSAVG: 2195800 4.76111 -16.2553 -30.7756 -16.2553 -22.2135 -0.488574 -30.7755 -0.488496 -6.91832 GPRESSAVG: 2195800 3.3782 -19.0269 -31.3637 -15.6848 -21.5374 -0.470002 -29.696 -0.508393 -6.6024 TIMING: 2195800 CPU: 6370.94, 0.00289963/step Wall: 6370.94, 0.00289963/step, 2.25865 hours remaining, 207.039062 MB of memory in use. ENERGY: 2195800 774.4119 2107.3146 1928.0562 120.5087 -205705.4511 17381.9606 0.0000 0.0000 34369.9060 -149023.2932 300.1609 -183393.1992 -148927.1179 299.7910 -167.2863 -136.0537 556917.0454 -8.1236 -8.2539 PRESSURE: 2196000 59.0978 29.4735 38.8271 29.4734 225.269 29.3606 38.828 29.3609 -205.259 GPRESSURE: 2196000 82.4044 4.12879 -38.3344 -4.44038 224.496 -54.7714 83.1338 44.8243 -131.371 PRESSAVG: 2196000 30.206 50.2569 -22.7592 50.257 3.9358 -47.2825 -22.7591 -47.2825 -17.5395 GPRESSAVG: 2196000 28.8671 52.6963 -24.8715 49.4559 3.08954 -51.3527 -22.4264 -44.4196 -15.2882 TIMING: 2196000 CPU: 6371.52, 0.00289658/step Wall: 6371.52, 0.00289658/step, 2.25612 hours remaining, 207.039062 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: 2196000 788.1951 2092.3859 1939.6813 105.6987 -205925.1756 17700.5287 0.0000 0.0000 34336.9543 -148961.7314 299.8732 -183298.6857 -148871.5490 300.0403 26.3694 58.5098 556373.0154 5.5341 5.5562 PRESSURE: 2196200 -13.7542 -38.2651 -27.0709 -38.2656 304.91 221.139 -27.0713 221.139 5.60733 GPRESSURE: 2196200 59.6025 20.2605 -39.0388 -1.36528 313.53 193.373 77.1347 253.71 21.6476 PRESSAVG: 2196200 47.9637 18.2961 -6.7406 18.296 -13.3143 43.7208 -6.74057 43.7209 20.6716 GPRESSAVG: 2196200 50.4014 16.9911 -4.80553 19.3319 -14.2456 47.7557 -6.03372 41.0003 19.2355 TIMING: 2196200 CPU: 6372.1, 0.00290862/step Wall: 6372.1, 0.00290862/step, 2.26533 hours remaining, 207.039062 MB of memory in use. ENERGY: 2196200 739.0892 2106.7607 1927.5308 112.3975 -206274.4768 17909.9052 0.0000 0.0000 34345.2186 -149133.5749 299.9453 -183478.7935 -149031.5526 299.9274 98.9210 131.5932 555425.7612 18.4403 18.4638 LDB: ============= START OF LOAD BALANCING ============== 6375.57 LDB: ============== END OF LOAD BALANCING =============== 6375.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6375.57 LDB: ============= START OF LOAD BALANCING ============== 6375.86 LDB: Largest compute 4821 load 0.029692 is 25.2% of average load 0.117766 LDB: Average compute 0.001727 is 1.5% of average load 0.117766 LDB: TIME 6375.87 LOAD: AVG 0.117766 MAX 0.178662 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 6375.87 LOAD: AVG 0.117766 MAX 0.178662 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: TIME 6375.87 LOAD: AVG 0.117766 MAX 0.178662 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.773 MB LDB: ============== END OF LOAD BALANCING =============== 6375.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6375.87 PRESSURE: 2196400 -35.255 -140.4 135.951 -140.4 107.994 -157.682 135.95 -157.682 3.11318 GPRESSURE: 2196400 -27.44 -66.9751 132.716 -139.507 181.282 -136.873 170.03 -113.7 19.6381 PRESSAVG: 2196400 -60.3382 16.2103 25.9218 16.2103 -6.73665 41.9925 25.9217 41.9924 84.4881 GPRESSAVG: 2196400 -62.8027 16.8182 26.1243 17.0472 -4.30235 41.5552 25.4764 40.5372 84.5568 TIMING: 2196400 CPU: 6372.7, 0.00296902/step Wall: 6372.7, 0.00296902/step, 2.31221 hours remaining, 206.308594 MB of memory in use. ENERGY: 2196400 744.6923 2138.6799 1960.7637 111.7967 -206241.1436 17800.9995 0.0000 0.0000 34256.1314 -149228.0802 299.1673 -183484.2116 -149128.7862 299.2576 25.2840 57.8267 556863.0762 5.8044 5.8173 PRESSURE: 2196600 88.2562 -123.07 107.273 -123.069 235.188 -81.4646 107.272 -81.4637 -48.7803 GPRESSURE: 2196600 140.918 -149.099 177.306 -102.609 254.867 -6.51522 87.0794 -183.666 -33.1407 PRESSAVG: 2196600 -72.3637 14.0911 59.6259 14.0911 73.0906 34.0659 59.626 34.0659 -7.75342 GPRESSAVG: 2196600 -71.4611 13.966 61.9857 13.8838 73.2573 33.706 56.4883 35.6923 -9.09285 TIMING: 2196600 CPU: 6373.28, 0.00290686/step Wall: 6373.28, 0.00290686/step, 2.26364 hours remaining, 206.449219 MB of memory in use. ENERGY: 2196600 734.1301 2098.9196 1964.7155 117.2140 -206089.5617 17793.0237 0.0000 0.0000 34238.3340 -149143.2249 299.0119 -183381.5589 -149044.2149 298.3021 91.5548 120.8814 556121.1305 -2.3422 -2.4322 PRESSURE: 2196800 -121.318 55.2282 -13.1762 55.2269 2.19864 46.103 -13.175 46.1059 -88.1856 GPRESSURE: 2196800 -111.925 -10.0077 -48.267 135.958 84.5514 87.8933 54.0394 22.8133 -85.0917 PRESSAVG: 2196800 -11.3994 -29.5413 -11.2395 -29.5412 36.9771 -15.5498 -11.2395 -15.5497 18.7483 GPRESSAVG: 2196800 -12.2015 -26.9424 -15.867 -30.7592 37.0573 -15.2901 -6.47807 -15.9637 18.4913 TIMING: 2196800 CPU: 6373.86, 0.00291058/step Wall: 6373.86, 0.00291058/step, 2.26637 hours remaining, 206.449219 MB of memory in use. ENERGY: 2196800 782.7186 2088.9929 1964.0895 105.1363 -206265.3787 17825.5604 0.0000 0.0000 34375.8937 -149122.9873 300.2132 -183498.8810 -149024.8444 298.6382 -69.1017 -37.4883 558833.0840 14.7754 14.4491 PRESSURE: 2197000 137.637 -5.83194 147.611 -5.83095 274.759 -65.0027 147.611 -65.0029 -18.0243 GPRESSURE: 2197000 247.334 8.71352 66.3886 -34.4349 269.422 -55.3954 135.18 -82.2613 -26.7617 PRESSAVG: 2197000 -26.7412 -10.4956 1.00248 -10.4956 65.7323 25.2596 1.00237 25.2596 -33.9122 GPRESSAVG: 2197000 -24.4223 -12.5105 2.096 -10.6126 63.9536 24.8029 -0.77822 25.5236 -33.8599 TIMING: 2197000 CPU: 6374.44, 0.00292517/step Wall: 6374.44, 0.00292517/step, 2.27757 hours remaining, 206.449219 MB of memory in use. ENERGY: 2197000 738.0699 2110.4644 1968.9500 116.4302 -206434.6637 18068.7733 0.0000 0.0000 34392.4406 -149039.5354 300.3577 -183431.9759 -148941.3607 299.0980 131.4573 163.3315 557875.8541 1.6930 1.8905 PRESSURE: 2197200 -62.2327 95.388 -135.63 95.3875 -241.196 106.518 -135.631 106.52 -83.2955 GPRESSURE: 2197200 4.86618 -1.10018 -106.149 65.9051 -212.501 50.8328 -119.434 86.9703 -72.6569 PRESSAVG: 2197200 33.4471 -13.3479 -48.5101 -13.348 -13.8525 -10.4983 -48.5101 -10.4983 -26.3947 GPRESSAVG: 2197200 32.7586 -12.0743 -46.611 -14.2068 -13.6426 -7.77607 -49.5967 -10.7953 -26.0964 TIMING: 2197200 CPU: 6375.03, 0.0029148/step Wall: 6375.03, 0.0029148/step, 2.26934 hours remaining, 206.449219 MB of memory in use. ENERGY: 2197200 781.9148 2080.1643 1960.7532 109.2540 -205641.9372 17497.1527 0.0000 0.0000 34390.1087 -148822.5895 300.3374 -183212.6981 -148725.1472 299.8972 -128.9079 -93.4305 557772.1399 -2.2667 -2.3268 PRESSURE: 2197400 7.28947 2.20197 198.214 2.20158 69.6377 -171.119 198.213 -171.117 -5.61187 GPRESSURE: 2197400 52.816 15.8679 234.261 33.9404 70.8754 -156.331 202.253 -185.085 47.0763 PRESSAVG: 2197400 13.1509 25.9433 8.46003 25.9433 35.9982 -5.12876 8.46002 -5.12875 -2.21359 GPRESSAVG: 2197400 12.0529 24.8968 6.29636 28.9201 37.6498 -5.38417 11.4386 -6.04953 -2.57338 TIMING: 2197400 CPU: 6375.61, 0.00291946/step Wall: 6375.61, 0.00291946/step, 2.2728 hours remaining, 206.449219 MB of memory in use. ENERGY: 2197400 758.7166 2105.9090 1964.3075 109.0308 -206023.3870 17901.1081 0.0000 0.0000 34465.3503 -148718.9648 300.9945 -183184.3151 -148621.5087 300.1297 23.7718 56.9225 558414.2215 15.6452 15.7097 PRESSURE: 2197600 269.02 -2.91832 -13.4952 -2.9175 35.5967 -86.8218 -13.4964 -86.8224 -134.017 GPRESSURE: 2197600 314.477 5.61592 27.5744 5.23286 24.2347 -140.152 -86.7585 -107.266 -75.5636 PRESSAVG: 2197600 -4.91376 3.95397 40.7605 3.95399 -13.2179 -26.1751 40.7606 -26.1752 2.16115 GPRESSAVG: 2197600 -3.53242 3.72576 42.9342 1.98143 -13.6738 -26.9868 38.6638 -25.9597 1.86479 TIMING: 2197600 CPU: 6376.19, 0.0029084/step Wall: 6376.19, 0.0029084/step, 2.26403 hours remaining, 206.449219 MB of memory in use. ENERGY: 2197600 708.5839 2107.4421 1965.7701 115.3535 -205905.1024 17785.1638 0.0000 0.0000 34420.7331 -148802.0559 300.6048 -183222.7890 -148707.1947 301.3436 56.8668 87.7161 558690.4292 -5.3235 -5.1138 PRESSURE: 2197800 -223.076 -220.127 -94.604 -220.126 -86.0998 -101.796 -94.6039 -101.796 44.9959 GPRESSURE: 2197800 -98.6889 -184.859 -137.597 -253.105 -99.8902 -190.937 -18.1195 -80.4033 28.1066 PRESSAVG: 2197800 8.30146 38.2662 -34.1389 38.2661 45.8778 -50.7697 -34.1391 -50.7695 -50.5334 GPRESSAVG: 2197800 7.33774 39.0537 -32.309 37.4432 44.1923 -52.3291 -33.609 -49.0928 -48.0958 TIMING: 2197800 CPU: 6376.78, 0.0029262/step Wall: 6376.78, 0.0029262/step, 2.27772 hours remaining, 206.449219 MB of memory in use. ENERGY: 2197800 714.2384 2115.4954 1968.3868 120.3149 -205607.6157 17567.3961 0.0000 0.0000 34278.4539 -148843.3302 299.3623 -183121.7841 -148750.9502 300.1821 -88.0601 -56.8242 558543.1578 1.2153 1.1448 PRESSURE: 2198000 -275.772 94.9945 -33.6663 94.9936 -66.5743 -71.6309 -33.6663 -71.6303 -479.168 GPRESSURE: 2198000 -282.863 28.9286 -136.75 140.191 -46.5887 -85.2888 120.076 -87.2656 -392.191 PRESSAVG: 2198000 6.32622 -9.13784 -33.5289 -9.13783 42.8477 -3.36741 -33.5288 -3.36749 -78.445 GPRESSAVG: 2198000 7.12355 -7.35298 -36.6215 -10.0514 43.8424 -2.59935 -31.4316 -3.04918 -80.3798 TIMING: 2198000 CPU: 6377.36, 0.0028926/step Wall: 6377.36, 0.0028926/step, 2.25141 hours remaining, 206.449219 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: 2198000 775.4350 2110.0297 1963.3218 124.9442 -205691.6188 17358.3513 0.0000 0.0000 34550.7681 -148808.7688 301.7405 -183359.5369 -148713.0844 300.5187 -273.8379 -240.5475 557787.4405 -9.7570 -9.8046 PRESSURE: 2198200 137.299 -94.7309 65.8581 -94.7309 47.6339 -38.55 65.8584 -38.5489 -55.8357 GPRESSURE: 2198200 164.527 -191.023 71.17 -14.6875 128.992 -78.5092 31.6535 32.3457 -74.3113 PRESSAVG: 2198200 33.3799 -11.5261 4.44551 -11.5261 33.7308 5.82583 4.44551 5.82584 -91.5606 GPRESSAVG: 2198200 32.9729 -11.6976 5.66365 -11.5658 34.4256 5.54563 3.79442 6.59502 -90.8485 TIMING: 2198200 CPU: 6377.94, 0.00290281/step Wall: 6377.94, 0.00290281/step, 2.25919 hours remaining, 206.449219 MB of memory in use. ENERGY: 2198200 725.6968 2154.8997 1950.4645 108.9884 -206035.6023 17761.6840 0.0000 0.0000 34605.8310 -148728.0380 302.2213 -183333.8689 -148629.3624 301.0125 43.0324 73.0692 556917.2488 -8.1500 -7.8167 PRESSURE: 2198400 -224.459 -90.8797 172.018 -90.8797 20.4248 137.606 172.017 137.605 39.3081 GPRESSURE: 2198400 -206.054 -143.629 188.175 -22.0338 48.5476 193.068 116.832 66.1211 90.162 PRESSAVG: 2198400 16.8529 -44.2784 34.5616 -44.2784 15.8751 6.0806 34.5616 6.08054 -48.6232 GPRESSAVG: 2198400 17.2824 -47.7013 35.4604 -40.2049 16.4295 6.57083 33.0915 3.61853 -49.3142 TIMING: 2198400 CPU: 6378.52, 0.00291962/step Wall: 6378.52, 0.00291962/step, 2.27211 hours remaining, 206.449219 MB of memory in use. ENERGY: 2198400 767.3453 2126.9522 1952.8097 120.1287 -205963.0632 17648.7373 0.0000 0.0000 34561.0670 -148786.0229 301.8304 -183347.0899 -148689.2357 301.6529 -54.9086 -22.4480 557794.9174 -5.2984 -5.2008 PRESSURE: 2198600 79.7161 -30.3076 -95.1252 -30.3082 146.088 -218.867 -95.1253 -218.869 315.131 GPRESSURE: 2198600 120.12 20.3589 -3.53934 -5.88099 136.336 -243.438 -145.592 -221.735 369.672 PRESSAVG: 2198600 12.9641 21.253 -9.94354 21.2529 -22.4238 6.65494 -9.94356 6.65497 34.4134 GPRESSAVG: 2198600 13.4898 22.429 -10.2138 18.7241 -23.2016 8.22074 -9.94574 6.70353 34.9028 TIMING: 2198600 CPU: 6379.11, 0.00291962/step Wall: 6379.11, 0.00291962/step, 2.27195 hours remaining, 206.449219 MB of memory in use. ENERGY: 2198600 757.0828 2156.8561 1927.7269 114.7907 -206217.2969 18088.4142 0.0000 0.0000 34231.0037 -148941.4225 298.9479 -183172.4263 -148849.5748 299.9280 180.3117 208.7093 558493.8744 8.3179 8.3970 PRESSURE: 2198800 -65.1722 -95.7847 11.6024 -95.7853 -68.0268 2.47634 11.6041 2.47659 -205.092 GPRESSURE: 2198800 -25.2694 -136.362 -65.8232 -49.7798 -58.4361 42.8498 17.0838 118.236 -148.988 PRESSAVG: 2198800 -29.6554 8.24898 14.5873 8.24901 -18.369 2.52614 14.5873 2.52615 89.9296 GPRESSAVG: 2198800 -30.0926 8.83177 13.6413 7.8675 -18.1948 2.77602 15.6224 2.23158 89.8035 TIMING: 2198800 CPU: 6379.69, 0.00290747/step Wall: 6379.69, 0.00290747/step, 2.26234 hours remaining, 206.449219 MB of memory in use. ENERGY: 2198800 720.2651 2106.9353 1941.6312 122.1290 -205935.3778 17632.7638 0.0000 0.0000 34234.4078 -149177.2456 298.9776 -183411.6534 -149076.2887 299.0013 -112.7637 -77.5645 558650.9190 13.9684 13.8387 PRESSURE: 2199000 64.7699 90.1911 -154.699 90.1905 -144.672 102.524 -154.7 102.522 -310.892 GPRESSURE: 2199000 121.491 36.7239 -180.042 127.651 -146.539 240.44 -173.468 22.2706 -274.735 PRESSAVG: 2199000 58.0631 34.4804 -15.898 34.4803 -2.94769 9.94482 -15.898 9.94486 -89.0698 GPRESSAVG: 2199000 58.6449 34.7545 -12.9941 33.736 -3.73404 7.63963 -19.7792 12.378 -88.7588 TIMING: 2199000 CPU: 6380.28, 0.00294355/step Wall: 6380.28, 0.00294355/step, 2.29025 hours remaining, 206.449219 MB of memory in use. ENERGY: 2199000 744.3426 2087.4359 1973.6354 111.9497 -205857.6786 17678.1114 0.0000 0.0000 34160.1197 -149102.0838 298.3288 -183262.2036 -149007.3751 299.0051 -130.2648 -99.9276 560021.9910 -11.3181 -11.2827 PRESSURE: 2199200 -72.7596 -66.986 41.615 -66.9854 -2.32945 -43.5605 41.6141 -43.5612 127.811 GPRESSURE: 2199200 -71.9898 -40.6387 19.6227 -126.17 65.1631 -54.8204 45.9919 -28.2721 156.221 PRESSAVG: 2199200 33.2003 -15.8895 -90.9175 -15.8895 10.8116 -2.55184 -90.9175 -2.55177 -46.1697 GPRESSAVG: 2199200 33.0618 -14.4723 -89.9043 -15.9504 11.2934 -0.962955 -89.6953 -4.49523 -46.8595 TIMING: 2199200 CPU: 6380.86, 0.00290891/step Wall: 6380.86, 0.00290891/step, 2.26313 hours remaining, 206.449219 MB of memory in use. ENERGY: 2199200 755.5361 2135.3580 1939.1254 105.1731 -206241.7321 17946.3366 0.0000 0.0000 34192.5067 -149167.6962 298.6117 -183360.2029 -149081.1288 298.8925 17.5740 49.7981 558421.7965 -0.7193 -0.8348 PRESSURE: 2199400 -52.8757 25.6926 29.8356 25.6936 63.145 141.631 29.8363 141.631 -74.6117 GPRESSURE: 2199400 -9.64887 53.3142 -2.43274 56.8536 106.062 156.522 35.5935 114.539 -61.1569 PRESSAVG: 2199400 -31.4688 -7.04041 49.701 -7.04037 28.3796 71.6482 49.7009 71.6482 9.03202 GPRESSAVG: 2199400 -30.8917 -8.53573 45.303 -4.46015 28.8638 71.2753 51.7267 71.1986 7.95889 TIMING: 2199400 CPU: 6381.44, 0.00292301/step Wall: 6381.44, 0.00292301/step, 2.27394 hours remaining, 206.449219 MB of memory in use. ENERGY: 2199400 710.7971 2083.0633 1957.4811 104.6014 -205921.4241 17648.7114 0.0000 0.0000 34225.4390 -149191.3306 298.8993 -183416.7697 -149091.0361 299.1150 -21.4475 11.7521 558149.4237 1.9809 1.9770 PRESSURE: 2199600 -176.609 42.1034 52.2555 42.1033 -25.3863 7.62184 52.2549 7.62066 -155.121 GPRESSURE: 2199600 -215.331 67.5052 69.8898 -57.8677 55.8199 -24.3948 131.959 -31.4253 -89.3386 PRESSAVG: 2199600 -51.4979 -8.31499 -35.256 -8.315 43.587 -7.37444 -35.256 -7.37447 19.7057 GPRESSAVG: 2199600 -53.03 -8.21609 -36.0483 -8.88126 43.7229 -7.93104 -33.0517 -6.40659 21.1954 TIMING: 2199600 CPU: 6382.03, 0.00292526/step Wall: 6382.03, 0.00292526/step, 2.27552 hours remaining, 206.449219 MB of memory in use. ENERGY: 2199600 735.5017 2116.8942 1972.9699 114.2853 -206419.3805 17775.9908 0.0000 0.0000 34383.6311 -149320.1075 300.2808 -183703.7385 -149217.3072 299.0263 -119.0387 -82.9500 558102.7225 3.9316 3.9628 PRESSURE: 2199800 -41.2256 -69.8877 94.6366 -69.8873 -108.256 -27.56 94.6383 -27.5585 -264.101 GPRESSURE: 2199800 -20.9099 -93.7627 179.3 -42.8619 -77.747 -2.90097 18.2037 -46.6341 -225.917 PRESSAVG: 2199800 -10.8281 25.5535 -28.1706 25.5535 11.805 4.88519 -28.1706 4.88518 3.13738 GPRESSAVG: 2199800 -9.8835 26.0781 -25.5653 24.2509 10.5808 5.96674 -30.529 4.33924 3.19784 TIMING: 2199800 CPU: 6382.61, 0.00291168/step Wall: 6382.61, 0.00291168/step, 2.2648 hours remaining, 206.449219 MB of memory in use. ENERGY: 2199800 722.4562 2064.8002 1967.1455 126.0915 -206042.5114 17606.3903 0.0000 0.0000 34308.0148 -149247.6129 299.6204 -183555.6277 -149149.6294 298.5472 -137.8610 -108.1912 557842.6068 1.3714 1.2984 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2200000 93.8152 30.6881 -49.0886 30.6875 70.7344 -48.9558 -49.09 -48.9541 -33.8407 GPRESSURE: 2200000 75.7389 44.7136 -20.9307 -37.2108 114.321 38.8541 -92.9478 -71.2553 43.0666 PRESSAVG: 2200000 43.3952 -23.5234 66.9327 -23.5236 18.1582 -7.71971 66.9327 -7.71961 -76.1815 GPRESSAVG: 2200000 42.8245 -22.8563 64.0578 -24.6129 18.1101 -7.62785 68.1826 -6.36979 -75.2071 TIMING: 2200000 CPU: 6383.2, 0.00295059/step Wall: 6383.2, 0.00295059/step, 2.29491 hours remaining, 206.449219 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: 2200000 762.5539 2090.7065 1944.8023 118.5154 -206490.2439 17981.1006 0.0000 0.0000 34343.1573 -149249.4078 299.9273 -183592.5651 -149155.2681 298.8728 43.5696 77.7088 556663.4471 -4.8761 -4.7575 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 26.6692 -95.9424 139.679 -95.9428 55.2414 128.676 139.679 128.676 47.2045 GPRESSURE: 2200200 27.1333 -0.881838 95.9976 -148.45 38.4012 146.981 146.615 102.608 155.847 PRESSAVG: 2200200 41.0501 15.6351 -3.28439 15.6351 -27.327 5.67173 -3.2845 5.67178 -41.8884 GPRESSAVG: 2200200 41.8005 15.9621 -1.77448 14.9289 -26.2269 5.87942 -5.05342 6.40387 -43.3038 TIMING: 2200200 CPU: 6383.79, 0.00295442/step Wall: 6383.79, 0.00295442/step, 2.29772 hours remaining, 206.449219 MB of memory in use. ENERGY: 2200200 732.6775 2155.7773 1966.2905 114.2861 -206040.8910 17803.5753 0.0000 0.0000 34016.6120 -149251.6722 297.0755 -183268.2843 -149156.9053 299.4340 43.0383 73.7938 557782.3158 -9.3884 -9.2434 LDB: ============= START OF LOAD BALANCING ============== 6387.26 LDB: ============== END OF LOAD BALANCING =============== 6387.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6387.26 LDB: ============= START OF LOAD BALANCING ============== 6387.56 LDB: Largest compute 4821 load 0.030052 is 25.5% of average load 0.117747 LDB: Average compute 0.001731 is 1.5% of average load 0.117747 LDB: TIME 6387.56 LOAD: AVG 0.117747 MAX 0.175935 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 6387.56 LOAD: AVG 0.117747 MAX 0.175935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: TIME 6387.56 LOAD: AVG 0.117747 MAX 0.175935 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6387.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6387.57 PRESSURE: 2200400 -43.2746 -115.055 -127.647 -115.055 79.7255 1.51444 -127.647 1.51478 323.387 GPRESSURE: 2200400 -8.65533 -155.332 -135.145 -90.7484 106.723 37.9397 -114.652 15.4744 365.714 PRESSAVG: 2200400 -8.96089 -38.8675 2.8205 -38.8675 -13.8431 -2.14342 2.82051 -2.1434 93.6555 GPRESSAVG: 2200400 -9.13584 -39.8951 1.12764 -36.7075 -14.2221 -3.37488 3.45128 -4.15175 93.8718 TIMING: 2200400 CPU: 6384.39, 0.0029974/step Wall: 6384.39, 0.0029974/step, 2.33098 hours remaining, 206.703125 MB of memory in use. ENERGY: 2200400 694.2503 2042.6622 1983.3361 115.8261 -206128.2260 17847.3178 0.0000 0.0000 34134.4456 -149310.3879 298.1046 -183444.8335 -149209.1748 298.8399 119.9459 154.5941 557723.4409 23.6172 23.5046 PRESSURE: 2200600 138.664 -73.1173 107.703 -73.1165 -293.121 80.6996 107.702 80.7009 -1.565 GPRESSURE: 2200600 132.498 -19.9026 36.362 -83.6883 -235.015 114.443 69.0775 46.9778 37.2166 PRESSAVG: 2200600 5.32257 23.0463 29.6421 23.0463 -60.8003 18.5422 29.6422 18.5422 42.3578 GPRESSAVG: 2200600 5.43666 22.1657 30.6454 23.6889 -60.488 19.8745 29.825 20.4372 42.1086 TIMING: 2200600 CPU: 6384.97, 0.00291818/step Wall: 6384.97, 0.00291818/step, 2.26921 hours remaining, 206.703125 MB of memory in use. ENERGY: 2200600 748.1228 2095.1173 1966.5316 109.7445 -206005.5161 17644.8061 0.0000 0.0000 34029.3262 -149411.8676 297.1866 -183441.1938 -149308.0323 298.9290 -52.0074 -21.7669 557719.3583 -4.3733 -4.3142 PRESSURE: 2200800 57.3923 56.9746 66.3357 56.9764 -131.925 -10.3093 66.3358 -10.3087 36.7762 GPRESSURE: 2200800 108.167 80.3167 143.119 -37.3065 -110.285 13.2012 23.456 -49.1435 57.8232 PRESSAVG: 2200800 -22.7101 -19.5999 -4.05459 -19.6 27.3608 16.4644 -4.0546 16.4643 20.9361 GPRESSAVG: 2200800 -23.1706 -19.3109 -2.02795 -19.4283 27.4113 18.1785 -5.12629 15.8646 21.5284 TIMING: 2200800 CPU: 6385.56, 0.00291876/step Wall: 6385.56, 0.00291876/step, 2.2695 hours remaining, 206.703125 MB of memory in use. ENERGY: 2200800 728.7618 2105.9035 1972.6482 100.5458 -206274.0511 17774.0059 0.0000 0.0000 34299.4187 -149292.7672 299.5454 -183592.1858 -149202.3699 299.0273 -12.5856 18.5684 557703.6081 8.5289 8.5897 PRESSURE: 2201000 -138.977 176.128 6.54825 176.128 -249.037 -0.887433 6.54903 -0.886833 -90.6544 GPRESSURE: 2201000 -84.4363 200.867 39.4181 147.013 -184.518 -10.4043 26.2091 -60.1761 -112.709 PRESSAVG: 2201000 -9.03166 5.28796 -15.9185 5.28791 -16.7521 13.681 -15.9185 13.681 -12.1138 GPRESSAVG: 2201000 -9.79107 5.3459 -17.2255 5.24336 -17.1795 11.7601 -14.9883 15.0176 -11.2989 TIMING: 2201000 CPU: 6386.14, 0.00291239/step Wall: 6386.14, 0.00291239/step, 2.26438 hours remaining, 206.703125 MB of memory in use. ENERGY: 2201000 718.2565 2090.0712 1983.1713 111.0055 -206266.8579 17607.8862 0.0000 0.0000 34483.7589 -149272.7083 301.1552 -183756.4672 -149176.7497 299.6580 -159.5561 -127.2211 558340.3516 -12.6325 -12.7565 PRESSURE: 2201200 -99.7317 48.4509 -14.3593 48.4513 159.466 -11.667 -14.3606 -11.6675 -39.0037 GPRESSURE: 2201200 15.2392 23.497 -82.4563 62.6309 142.98 -5.01131 72.0859 -8.18821 -28.9708 PRESSAVG: 2201200 -16.1359 -47.5405 -10.5149 -47.5406 35.7839 53.749 -10.5149 53.749 -78.9389 GPRESSAVG: 2201200 -15.1805 -46.6485 -10.0625 -49.2154 33.3012 52.2979 -10.4642 52.7813 -78.085 TIMING: 2201200 CPU: 6386.72, 0.00291057/step Wall: 6386.72, 0.00291057/step, 2.2628 hours remaining, 206.703125 MB of memory in use. ENERGY: 2201200 749.9896 2127.3246 1937.3197 112.4878 -206228.5217 17848.1574 0.0000 0.0000 34041.3783 -149411.8642 297.2918 -183453.2425 -149317.9533 298.5383 6.9102 43.0828 556736.1161 -19.7636 -19.9881 PRESSURE: 2201400 4.20156 -152.852 -115.351 -152.853 108.527 102.825 -115.35 102.827 212.712 GPRESSURE: 2201400 80.9643 -199.515 -104.171 -135.129 157.226 107.802 -98.5812 162.564 166.171 PRESSAVG: 2201400 -86.1524 -42.0859 14.66 -42.0859 107.848 63.2133 14.6599 63.2132 7.889 GPRESSAVG: 2201400 -86.5006 -42.7792 14.7999 -39.6642 109.806 63.0487 12.7162 62.8637 6.34884 TIMING: 2201400 CPU: 6387.3, 0.00288919/step Wall: 6387.3, 0.00288919/step, 2.24603 hours remaining, 206.703125 MB of memory in use. ENERGY: 2201400 797.9104 2139.2746 1967.1647 118.2959 -206609.4427 18098.3424 0.0000 0.0000 34041.4900 -149446.9646 297.2928 -183488.4546 -149360.4497 298.4658 108.4800 134.7869 558593.1575 9.8616 9.8846 PRESSURE: 2201600 42.466 -107.865 -24.8088 -107.864 -198.021 8.37776 -24.8093 8.37953 75.6694 GPRESSURE: 2201600 36.7873 -175.629 -86.2482 -85.8551 -99.6362 -10.9067 -66.5289 -10.5894 87.0852 PRESSAVG: 2201600 -11.6829 -49.826 8.41241 -49.8261 -55.1727 -49.9747 8.41244 -49.9747 69.0151 GPRESSAVG: 2201600 -11.5368 -49.7096 8.06001 -51.4877 -54.7775 -49.6924 10.8771 -49.0053 69.0244 TIMING: 2201600 CPU: 6387.88, 0.00290583/step Wall: 6387.88, 0.00290583/step, 2.2588 hours remaining, 206.703125 MB of memory in use. ENERGY: 2201600 773.2343 2097.0242 1978.5408 117.9655 -206630.9240 18078.4895 0.0000 0.0000 34032.9153 -149552.7544 297.2179 -183585.6697 -149463.0212 298.5866 -26.6286 8.0788 558989.1537 0.7198 0.9033 PRESSURE: 2201800 -95.3258 13.2664 48.097 13.2659 -363.163 29.4159 48.096 29.4161 -109.718 GPRESSURE: 2201800 -61.7276 80.6853 53.2278 -18.4931 -347.574 -11.5172 -5.31768 -17.6583 -59.1607 PRESSAVG: 2201800 -69.25 -6.27415 31.4618 -6.27416 29.1789 35.5131 31.4618 35.513 90.8173 GPRESSAVG: 2201800 -68.5725 -7.22964 31.7619 -4.1826 27.8311 35.9738 30.2133 34.6121 91.6834 TIMING: 2201800 CPU: 6388.46, 0.00291777/step Wall: 6388.46, 0.00291777/step, 2.26792 hours remaining, 206.703125 MB of memory in use. ENERGY: 2201800 715.8563 2084.3647 1984.1747 108.8619 -206291.9846 17669.9625 0.0000 0.0000 34138.6809 -149590.0836 298.1416 -183728.7645 -149496.8648 297.5364 -189.4025 -156.1541 558732.7534 16.9154 16.9807 PRESSURE: 2202000 247.192 159.282 82.0979 159.283 -114.995 -49.2555 82.0967 -49.2562 -81.0652 GPRESSURE: 2202000 250.97 110.937 -11.5868 147.222 -73.6566 -14.0039 110.237 -55.8015 -19.3113 PRESSAVG: 2202000 -25.4079 -19.4878 -19.3258 -19.4878 -15.9946 12.8196 -19.3258 12.8196 77.3243 GPRESSAVG: 2202000 -26.1714 -18.05 -21.0508 -20.8067 -15.8943 14.6911 -19.0481 11.1866 78.1754 TIMING: 2202000 CPU: 6389.04, 0.00289983/step Wall: 6389.04, 0.00289983/step, 2.25381 hours remaining, 207.003906 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: 2202000 759.5832 2103.4046 1982.5801 129.9318 -206983.6154 18069.3468 0.0000 0.0000 34498.5567 -149440.2122 301.2845 -183938.7689 -149338.3826 298.4581 17.0438 52.6673 557231.1473 11.9739 12.0366 PRESSURE: 2202200 111.26 97.1812 -22.2629 97.1824 -240.985 -71.4098 -22.2638 -71.4099 15.1018 GPRESSURE: 2202200 98.3005 82.358 47.498 91.7888 -236.75 -35.3492 18.5153 -100.049 128.483 PRESSAVG: 2202200 -20.267 38.3236 -36.1953 38.3236 -46.1286 32.4468 -36.1952 32.4467 68.3405 GPRESSAVG: 2202200 -20.8242 39.0492 -35.4741 38.4269 -45.2481 29.6094 -34.7754 35.4014 68.0612 TIMING: 2202200 CPU: 6389.62, 0.00289755/step Wall: 6389.62, 0.00289755/step, 2.25188 hours remaining, 207.003906 MB of memory in use. ENERGY: 2202200 739.9341 2117.8413 1961.3196 102.7149 -206281.4190 17827.0377 0.0000 0.0000 34031.0401 -149501.5313 297.2015 -183532.5714 -149401.9804 298.2053 -38.2078 -3.3222 556938.8983 0.6483 0.6630 PRESSURE: 2202400 115.149 78.8737 47.0454 78.8751 -84.7309 155.443 47.0457 155.444 63.5788 GPRESSURE: 2202400 67.3168 87.7288 2.52862 28.6708 4.3865 184.55 59.375 116.651 129.516 PRESSAVG: 2202400 -28.3791 -24.8481 23.6983 -24.8481 -19.4758 18.1668 23.6982 18.1668 37.1008 GPRESSAVG: 2202400 -28.1329 -26.6977 25.1681 -24.5604 -19.1737 20.8746 21.2318 16.4857 36.605 TIMING: 2202400 CPU: 6390.21, 0.00292252/step Wall: 6390.21, 0.00292252/step, 2.27112 hours remaining, 207.003906 MB of memory in use. ENERGY: 2202400 747.2527 2065.5547 1983.0979 103.3516 -206447.3387 17899.7244 0.0000 0.0000 34237.3487 -149411.0087 299.0033 -183648.3574 -149307.8987 298.4608 31.3324 67.0730 557556.3416 -3.5847 -3.5672 PRESSURE: 2202600 -68.7282 46.3421 -37.6424 46.3425 -225.389 93.5018 -37.6423 93.5017 -41.6201 GPRESSURE: 2202600 -33.8974 -12.4057 12.067 -2.18743 -194.96 73.9592 -43.2279 153.968 -15.8881 PRESSAVG: 2202600 29.3429 -54.5232 27.4921 -54.5232 -11.3977 87.8545 27.4921 87.8545 18.75 GPRESSAVG: 2202600 30.194 -53.3995 27.5751 -55.8777 -11.4553 87.5172 26.5171 89.7717 17.5562 TIMING: 2202600 CPU: 6390.79, 0.00290212/step Wall: 6390.79, 0.00290212/step, 2.25511 hours remaining, 207.003906 MB of memory in use. ENERGY: 2202600 782.7276 2078.4242 1954.2851 112.5512 -206305.3813 17698.4617 0.0000 0.0000 34274.2730 -149404.6586 299.3258 -183678.9316 -149315.2071 299.0921 -111.9124 -81.5817 557790.9787 12.2317 12.0983 PRESSURE: 2202800 -167.608 -57.462 -130.388 -57.4615 27.4969 -92.0569 -130.388 -92.057 164.048 GPRESSURE: 2202800 -40.6485 2.09031 -107.359 -70.8601 38.865 -160.54 -143.227 -82.3286 135.984 PRESSAVG: 2202800 -12.3185 36.4678 -49.2262 36.4677 -1.16947 8.42804 -49.2263 8.42812 27.3125 GPRESSAVG: 2202800 -13.5686 36.6329 -50.3605 36.4865 -1.97624 6.78837 -46.4025 8.93539 28.8645 TIMING: 2202800 CPU: 6391.37, 0.0028925/step Wall: 6391.37, 0.0028925/step, 2.24747 hours remaining, 207.003906 MB of memory in use. ENERGY: 2202800 708.6753 2119.9520 1966.8196 98.1451 -206057.5502 17838.8765 0.0000 0.0000 34087.6765 -149237.4053 297.6962 -183325.0818 -149142.3595 299.3821 7.9790 44.7333 558764.1346 4.6082 4.4399 PRESSURE: 2203000 -23.7213 133.061 -46.8211 133.061 -103.553 117.811 -46.8212 117.809 209.77 GPRESSURE: 2203000 33.1019 216.465 -78.074 -16.4008 -60.9048 70.0849 -49.2086 78.4034 208.833 PRESSAVG: 2203000 -40.8585 37.6386 34.7262 37.6385 21.5744 -1.88709 34.7262 -1.88698 26.687 GPRESSAVG: 2203000 -39.2203 36.7797 34.7331 38.7334 21.9894 -3.04791 32.8302 -2.55506 23.8352 TIMING: 2203000 CPU: 6391.94, 0.00287223/step Wall: 6391.94, 0.00287223/step, 2.23156 hours remaining, 207.003906 MB of memory in use. ENERGY: 2203000 771.6136 2066.7082 1962.7064 126.8076 -206679.2020 18060.7205 0.0000 0.0000 34293.8601 -149396.7856 299.4968 -183690.6457 -149296.0618 299.0013 27.4987 60.3433 557066.0247 2.4677 2.2014 PRESSURE: 2203200 -116.966 -138.528 -19.349 -138.528 134.18 9.66 -19.3479 9.65814 6.35415 GPRESSURE: 2203200 -112.856 -50.5849 14.0036 -169.974 175.48 -7.89597 -59.8184 28.2365 67.2005 PRESSAVG: 2203200 2.37445 -44.2583 -2.57384 -44.2583 46.5702 -21.0777 -2.57374 -21.0776 -15.5317 GPRESSAVG: 2203200 1.32703 -42.4267 -1.57307 -45.2296 45.9167 -21.6754 -4.60852 -20.3761 -14.1291 TIMING: 2203200 CPU: 6392.52, 0.00287473/step Wall: 6392.52, 0.00287474/step, 2.23335 hours remaining, 207.003906 MB of memory in use. ENERGY: 2203200 775.2648 2075.0525 1949.8285 101.2098 -206339.5079 17941.5649 0.0000 0.0000 34143.6029 -149352.9843 298.1846 -183496.5872 -149249.8575 299.0417 7.8561 43.2746 557466.4106 11.1377 11.0382 PRESSURE: 2203400 -234.011 75.6347 -17.3789 75.6344 -321.828 49.8014 -17.3783 49.8003 -71.8562 GPRESSURE: 2203400 -210.174 109.761 12.6569 121.838 -308.353 80.7806 20.6359 7.5514 -10.3078 PRESSAVG: 2203400 -43.9038 -26.116 45.0561 -26.1158 -10.687 -41.3973 45.0562 -41.3973 22.162 GPRESSAVG: 2203400 -43.6351 -27.9661 46.0902 -26.5694 -11.1934 -37.6566 47.3578 -43.357 22.9288 TIMING: 2203400 CPU: 6393.09, 0.00288861/step Wall: 6393.09, 0.00288861/step, 2.24397 hours remaining, 207.003906 MB of memory in use. ENERGY: 2203400 793.4035 2087.7532 1952.1903 114.1205 -206175.2699 17643.7692 0.0000 0.0000 34309.4874 -149274.5457 299.6333 -183584.0332 -149178.0049 299.1662 -209.2316 -176.2782 557555.5634 -10.8096 -10.6332 PRESSURE: 2203600 -36.7368 -50.4956 60.3719 -50.496 -160.663 0.542428 60.374 0.544425 -63.8463 GPRESSURE: 2203600 55.3904 -121.207 33.2232 -53.504 -156.008 -66.4879 74.6725 15.3687 -54.7398 PRESSAVG: 2203600 -41.7443 32.365 42.0689 32.365 52.0833 -8.4813 42.069 -8.48138 28.4965 GPRESSAVG: 2203600 -41.8381 33.5267 41.5379 31.8531 52.795 -10.3324 40.7172 -6.15019 27.8486 TIMING: 2203600 CPU: 6393.68, 0.00291176/step Wall: 6393.68, 0.00291176/step, 2.26179 hours remaining, 207.003906 MB of memory in use. ENERGY: 2203600 739.8477 2061.4725 1980.1119 112.3755 -206271.0164 17801.5150 0.0000 0.0000 34194.8133 -149380.8807 298.6318 -183575.6939 -149288.7377 299.2400 -87.0822 -51.7856 556532.8823 12.9452 12.9352 PRESSURE: 2203800 303.984 -32.2109 99.2419 -32.2113 219.742 39.1598 99.2408 39.1596 -86.1384 GPRESSURE: 2203800 282.118 5.81888 174.404 -94.6653 216.931 75.5464 32.6196 27.5342 38.7057 PRESSAVG: 2203800 18.1272 32.1235 8.07703 32.1235 -31.198 -60.7329 8.07701 -60.7327 -14.8494 GPRESSAVG: 2203800 17.7152 30.2503 7.19132 32.9488 -31.5801 -58.9406 8.70793 -62.6139 -14.3027 TIMING: 2203800 CPU: 6394.26, 0.00289664/step Wall: 6394.26, 0.00289664/step, 2.24989 hours remaining, 207.003906 MB of memory in use. ENERGY: 2203800 746.8267 2114.8873 1975.3819 109.8314 -206731.0799 18011.1887 0.0000 0.0000 34347.7145 -149425.2494 299.9671 -183772.9639 -149332.3719 298.7852 145.8624 179.2515 555489.4618 -9.3067 -9.3892 PRESSURE: 2204000 -696.123 -2.37399 42.4659 -2.37355 -127.594 -180.819 42.4667 -180.819 -327.051 GPRESSURE: 2204000 -637.99 -0.338411 94.1449 22.4371 -111.13 -113.039 41.5982 -187.204 -305.935 PRESSAVG: 2204000 27.207 -15.5906 -2.34762 -15.5906 -49.4579 -52.5901 -2.34761 -52.5901 51.0575 GPRESSAVG: 2204000 26.9956 -13.581 -1.89798 -14.3667 -48.2893 -53.2678 -1.55808 -51.1258 50.23 TIMING: 2204000 CPU: 6394.83, 0.00287677/step Wall: 6394.83, 0.00287677/step, 2.23429 hours remaining, 207.003906 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: 2204000 764.1536 2126.9740 1942.0148 105.4425 -205794.3626 17241.9641 0.0000 0.0000 34068.2407 -149545.5729 297.5264 -183613.8136 -149451.7579 298.4351 -383.5892 -351.6850 557759.4975 9.6022 9.6455 PRESSURE: 2204200 36.186 126.297 168.355 126.296 -40.8486 -33.9781 168.355 -33.9802 55.8755 GPRESSURE: 2204200 34.1806 62.1819 156.314 205.271 -15.4387 -33.6152 55.6368 -19.9393 129.689 PRESSAVG: 2204200 30.0814 -35.412 -2.72634 -35.412 -5.93052 5.7572 -2.72625 5.75719 13.6196 GPRESSAVG: 2204200 30.2166 -37.6285 -2.20323 -34.7306 -5.72108 5.32211 -4.29109 7.27707 13.1968 TIMING: 2204200 CPU: 6395.41, 0.00289567/step Wall: 6395.41, 0.00289567/step, 2.24881 hours remaining, 207.003906 MB of memory in use. ENERGY: 2204200 743.2437 2062.4571 1964.0296 109.0986 -206652.1282 18021.2859 0.0000 0.0000 34171.1176 -149580.8957 298.4249 -183752.0133 -149486.4758 298.7554 17.0710 49.4770 556307.1165 12.5901 12.5641 LDB: ============= START OF LOAD BALANCING ============== 6398.87 LDB: ============== END OF LOAD BALANCING =============== 6398.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6398.87 LDB: ============= START OF LOAD BALANCING ============== 6399.16 LDB: Largest compute 4821 load 0.029739 is 25.3% of average load 0.117673 LDB: Average compute 0.001736 is 1.5% of average load 0.117673 LDB: TIME 6399.17 LOAD: AVG 0.117673 MAX 0.177005 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 6399.17 LOAD: AVG 0.117673 MAX 0.177005 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 6399.17 LOAD: AVG 0.117673 MAX 0.177005 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: ============== END OF LOAD BALANCING =============== 6399.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6399.17 PRESSURE: 2204400 153.711 -11.3181 -112.475 -11.318 -35.3996 100.05 -112.476 100.051 -125.825 GPRESSURE: 2204400 268.229 -58.6159 -131.234 -1.65769 -59.8872 84.8932 -69.1764 50.0718 -108.592 PRESSAVG: 2204400 58.873 -8.24123 -38.342 -8.24123 -12.1005 25.5388 -38.342 25.5389 -66.8644 GPRESSAVG: 2204400 59.7177 -6.53176 -40.5084 -9.58086 -13.7775 25.9115 -37.6343 24.2247 -65.7059 TIMING: 2204400 CPU: 6396, 0.0029338/step Wall: 6396, 0.0029338/step, 2.27826 hours remaining, 206.820312 MB of memory in use. ENERGY: 2204400 742.6855 2048.5989 1990.0121 103.2802 -206340.1310 17730.6898 0.0000 0.0000 34036.3534 -149688.5111 297.2479 -183724.8645 -149583.4388 299.0002 -2.5044 33.2501 555939.8660 -6.6973 -6.5886 PRESSURE: 2204600 156.667 -23.6745 11.5098 -23.6733 165.246 18.7502 11.5097 18.7493 24.0218 GPRESSURE: 2204600 198.804 -19.8404 24.8549 -22.8713 181.429 -7.91298 -61.8504 46.8076 63.0585 PRESSAVG: 2204600 22.2235 -7.14047 -44.2804 -7.14056 33.9829 -35.8385 -44.2806 -35.8383 -33.8931 GPRESSAVG: 2204600 21.8889 -8.13364 -43.1475 -5.14701 34.8486 -35.1502 -44.4593 -35.5907 -34.4626 TIMING: 2204600 CPU: 6396.58, 0.00289756/step Wall: 6396.58, 0.00289756/step, 2.24996 hours remaining, 206.832031 MB of memory in use. ENERGY: 2204600 739.3752 2084.1184 1933.5063 109.7593 -206809.7230 18101.7681 0.0000 0.0000 34221.9944 -149619.2014 298.8692 -183841.1958 -149525.9206 297.8899 115.3116 147.7641 556245.7609 7.4378 7.4250 PRESSURE: 2204800 -0.111273 50.561 -28.0031 50.561 197.318 67.2124 -28.0014 67.2129 -206.32 GPRESSURE: 2204800 52.8755 -10.7545 17.8548 50.77 166.287 55.5994 -67.4031 93.951 -135.24 PRESSAVG: 2204800 -41.7644 14.4557 23.8807 14.4557 44.2778 -3.98778 23.8808 -3.98787 -32.077 GPRESSAVG: 2204800 -43.0654 15.2929 24.3441 14.4207 44.5331 -3.10246 24.8205 -3.59909 -31.4116 TIMING: 2204800 CPU: 6397.15, 0.00288876/step Wall: 6397.15, 0.00288876/step, 2.24296 hours remaining, 206.832031 MB of memory in use. ENERGY: 2204800 728.0027 2074.6879 1967.6107 104.3882 -206338.9517 17937.5230 0.0000 0.0000 34015.2968 -149511.4423 297.0640 -183526.7391 -149412.7138 298.5597 -3.0377 27.9742 557970.9522 -9.8546 -9.9813 PRESSURE: 2205000 -129.394 -30.8415 -55.7087 -30.841 130.565 153.744 -55.7091 153.743 -22.7735 GPRESSURE: 2205000 -75.461 -98.9775 -63.559 -11.0564 152.698 92.5113 35.8754 137.102 -3.29065 PRESSAVG: 2205000 -19.6474 37.6261 -22.9401 37.6262 5.76552 -29.4394 -22.9401 -29.4394 7.06253 GPRESSAVG: 2205000 -19.2632 36.9853 -23.8723 38.9988 6.09314 -30.5824 -24.043 -28.5131 5.68513 TIMING: 2205000 CPU: 6397.73, 0.00289617/step Wall: 6397.73, 0.00289617/step, 2.24856 hours remaining, 206.832031 MB of memory in use. ENERGY: 2205000 738.5705 2091.6552 1975.0287 114.5792 -206670.2670 17895.1000 0.0000 0.0000 34318.1209 -149537.2127 299.7087 -183855.3336 -149438.4664 298.3459 -7.2007 24.6488 555748.7453 -2.2731 -2.4950 PRESSURE: 2205200 -219.626 101.423 -143.561 101.422 -206.704 -18.445 -143.56 -18.4446 -318.247 GPRESSURE: 2205200 -214.526 92.5577 -114.811 60.0316 -182.635 -24.5694 -128.096 -3.65439 -229.701 PRESSAVG: 2205200 37.5152 37.3677 2.50255 37.3678 10.7033 -8.08137 2.50256 -8.08118 -62.1543 GPRESSAVG: 2205200 36.1783 37.7903 3.86566 36.0743 11.3165 -9.12735 2.89986 -10.2837 -61.6475 TIMING: 2205200 CPU: 6398.32, 0.00291263/step Wall: 6398.32, 0.00291263/step, 2.26117 hours remaining, 206.832031 MB of memory in use. ENERGY: 2205200 731.9625 2071.1186 1928.5272 109.9434 -206227.7628 17455.4628 0.0000 0.0000 34253.9262 -149676.8220 299.1481 -183930.7482 -149587.5852 298.0169 -248.1921 -208.9538 557365.9206 -4.6453 -4.7176 PRESSURE: 2205400 49.7374 -99.722 -67.0532 -99.7214 -12.2651 103.027 -67.0542 103.027 -207.577 GPRESSURE: 2205400 30.9292 -59.6013 -9.05133 -88.7709 44.1387 51.9854 -29.3789 14.5196 -148.624 PRESSAVG: 2205400 14.3828 22.3519 -7.88321 22.3519 -30.533 14.184 -7.88328 14.184 0.497376 GPRESSAVG: 2205400 16.1773 21.7401 -7.71062 22.2044 -32.1399 17.3206 -9.47454 13.3608 -0.0969235 TIMING: 2205400 CPU: 6398.9, 0.00290872/step Wall: 6398.9, 0.00290872/step, 2.25798 hours remaining, 206.832031 MB of memory in use. ENERGY: 2205400 791.3195 2070.0698 1941.8727 118.7358 -206408.7989 17998.2524 0.0000 0.0000 33851.9505 -149636.5982 295.6375 -183488.5487 -149545.5596 297.7293 -56.7016 -24.5188 556522.1842 -5.2176 -5.3532 PRESSURE: 2205600 -122.342 -98.233 110.807 -98.234 -209.967 -149.024 110.807 -149.024 -179.287 GPRESSURE: 2205600 -63.1286 -19.5897 36.15 -155.075 -200.387 -150.712 98.4465 -49.9405 -145.395 PRESSAVG: 2205600 31.969 4.40056 -31.0972 4.4005 17.4298 37.692 -31.0972 37.692 -60.6874 GPRESSAVG: 2205600 31.1681 3.23429 -32.6469 3.09858 18.5065 35.6727 -29.3525 39.6766 -60.4831 TIMING: 2205600 CPU: 6399.48, 0.00291476/step Wall: 6399.48, 0.00291476/step, 2.2625 hours remaining, 206.832031 MB of memory in use. ENERGY: 2205600 748.0193 2074.3262 1957.1258 126.6188 -206490.3740 17722.9201 0.0000 0.0000 34153.5042 -149707.8597 298.2710 -183861.3639 -149615.9814 297.9516 -170.5319 -136.3035 557327.1380 -3.7629 -3.6028 PRESSURE: 2205800 -184.27 -36.7098 -108.622 -36.7092 58.7369 28.0365 -108.621 28.0372 -112.583 GPRESSURE: 2205800 -185.694 3.48335 -93.762 15.1156 98.6007 47.4622 -73.4881 -132.656 -60.2422 PRESSAVG: 2205800 22.3506 10.635 -20.7391 10.6349 48.1321 53.637 -20.7391 53.6368 -49.6359 GPRESSAVG: 2205800 21.9046 12.6354 -21.7966 10.5556 47.7034 53.742 -18.7823 53.7476 -48.8188 TIMING: 2205800 CPU: 6400.06, 0.00291714/step Wall: 6400.06, 0.00291714/step, 2.26418 hours remaining, 206.832031 MB of memory in use. ENERGY: 2205800 726.5547 2104.3166 1959.4007 111.8707 -206295.0939 17663.3208 0.0000 0.0000 34326.9296 -149402.7008 299.7856 -183729.6304 -149301.6042 298.5744 -79.3722 -49.1118 556155.0048 6.9490 6.9297 PRESSURE: 2206000 -59.0624 -2.46555 142.403 -2.46591 -164.996 13.8581 142.403 13.858 -286.289 GPRESSURE: 2206000 -13.9535 -65.7948 122.658 35.4463 -190.486 -44.6032 105.928 46.3749 -196.173 PRESSAVG: 2206000 -23.1028 27.672 0.209553 27.672 42.499 2.69356 0.209619 2.6935 -16.0643 GPRESSAVG: 2206000 -23.3483 26.8502 1.81914 27.281 43.7113 3.71515 -2.38545 3.34757 -16.3325 TIMING: 2206000 CPU: 6400.64, 0.00290012/step Wall: 6400.64, 0.00290012/step, 2.25082 hours remaining, 207.093750 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: 2206000 773.6150 2090.7099 1945.9323 105.7733 -206449.9984 17751.4317 0.0000 0.0000 34395.1112 -149387.4250 300.3811 -183782.5362 -149286.0487 299.0982 -170.1159 -133.5373 556413.3746 1.1106 1.3435 PRESSURE: 2206200 331.261 64.0895 -65.5795 64.0883 134.367 -36.2101 -65.579 -36.2098 61.2098 GPRESSURE: 2206200 376.984 101.105 -54.0163 26.6468 131.427 -155.509 40.5438 86.2733 113.66 PRESSAVG: 2206200 23.1168 9.44591 4.58164 9.4459 -62.259 -63.246 4.58158 -63.2459 17.6745 GPRESSAVG: 2206200 24.152 10.3901 5.31253 9.07491 -62.3837 -63.5123 5.6046 -63.7322 16.852 TIMING: 2206200 CPU: 6401.23, 0.00293864/step Wall: 6401.23, 0.00293864/step, 2.28055 hours remaining, 207.093750 MB of memory in use. ENERGY: 2206200 714.9499 2093.7462 1934.0179 98.7381 -206677.5006 18069.1181 0.0000 0.0000 34313.1900 -149453.7403 299.6656 -183766.9304 -149359.3903 299.3033 175.6125 207.3569 557397.1619 -7.1559 -7.1265 PRESSURE: 2206400 -58.142 33.1281 104.394 33.1277 34.5665 97.5562 104.394 97.557 -39.4617 GPRESSURE: 2206400 -80.8393 4.82009 93.958 36.7801 100.593 51.8503 47.1982 52.8416 12.2054 PRESSAVG: 2206400 -6.48752 34.2401 21.4675 34.2401 -17.4148 25.2983 21.4675 25.2982 28.2029 GPRESSAVG: 2206400 -7.3023 33.6056 20.0853 34.6661 -16.4623 24.0818 21.2498 26.4627 27.5754 TIMING: 2206400 CPU: 6401.82, 0.00291663/step Wall: 6401.82, 0.00291663/step, 2.2633 hours remaining, 207.230469 MB of memory in use. ENERGY: 2206400 742.3699 2155.9254 1949.6982 112.3212 -206276.4247 17707.3055 0.0000 0.0000 34216.8092 -149391.9953 298.8239 -183608.8045 -149290.2450 298.5123 -21.0124 10.6530 557522.5269 1.4335 1.2703 PRESSURE: 2206600 -171.119 5.43479 68.8184 5.43489 -413.469 -56.1392 68.8176 -56.1401 -177.92 GPRESSURE: 2206600 -134.101 3.27488 68.9851 -100.528 -394.429 -59.2957 48.3849 -49.5905 -139.196 PRESSAVG: 2206600 -44.6532 -6.03121 41.5026 -6.03111 -20.2775 32.9756 41.5026 32.9757 67.5214 GPRESSAVG: 2206600 -44.3105 -6.79999 43.3136 -5.52999 -22.011 33.96 41.0867 32.3177 68.1227 TIMING: 2206600 CPU: 6402.39, 0.0028938/step Wall: 6402.39, 0.0028938/step, 2.24543 hours remaining, 207.230469 MB of memory in use. ENERGY: 2206600 787.6524 2058.3836 1967.0657 105.3428 -206069.7829 17559.0636 0.0000 0.0000 34313.0074 -149279.2675 299.6640 -183592.2748 -149184.6480 299.2668 -254.1696 -222.5755 557990.7335 0.8636 0.6004 PRESSURE: 2206800 71.3307 -135.002 -86.8129 -135.002 162.543 123.244 -86.8124 123.244 117.336 GPRESSURE: 2206800 105.797 -148.477 14.0056 -93.7771 159.147 207.054 -27.6504 88.3003 191.617 PRESSAVG: 2206800 -58.7165 6.78871 -25.7999 6.78884 47.5283 51.8769 -25.8 51.877 -7.19049 GPRESSAVG: 2206800 -58.5365 7.97382 -26.5 6.36253 47.3913 51.4853 -25.6423 50.9684 -7.92048 TIMING: 2206800 CPU: 6402.98, 0.00290845/step Wall: 6402.98, 0.00290845/step, 2.25663 hours remaining, 207.230469 MB of memory in use. ENERGY: 2206800 731.0025 2104.2556 1934.9129 113.9446 -206237.0246 17927.3571 0.0000 0.0000 34073.2626 -149352.2894 297.5703 -183425.5520 -149253.5449 299.5420 117.0699 152.1869 557862.3138 -6.1262 -6.3552 PRESSURE: 2207000 131.792 19.7079 72.721 19.7076 -71.9839 47.5241 72.7215 47.5237 219.859 GPRESSURE: 2207000 123.092 -64.5519 110.181 57.3108 20.148 14.4472 69.2193 125.72 241.414 PRESSAVG: 2207000 -61.9929 14.8681 -9.71111 14.868 52.6973 14.6973 -9.71106 14.6973 25.9526 GPRESSAVG: 2207000 -62.6149 14.6857 -10.1466 15.3692 52.8392 14.6023 -10.3005 15.8671 26.8042 TIMING: 2207000 CPU: 6403.56, 0.00290213/step Wall: 6403.56, 0.00290213/step, 2.25157 hours remaining, 207.230469 MB of memory in use. ENERGY: 2207000 750.8952 2103.4939 1937.4743 115.4610 -206484.0877 17893.3497 0.0000 0.0000 33990.7736 -149692.6401 296.8499 -183683.4138 -149602.3857 298.2079 93.2224 128.2180 556161.7248 5.5523 5.6761 PRESSURE: 2207200 36.5386 -47.3929 57.0855 -47.3925 63.505 35.8871 57.0852 35.8882 53.0825 GPRESSURE: 2207200 81.5853 40.8176 81.0418 -125.909 82.3031 35.8982 32.8615 97.7329 86.0234 PRESSAVG: 2207200 -19.3017 -42.142 -14.6422 -42.142 39.4225 5.09147 -14.6422 5.0914 -9.33551 GPRESSAVG: 2207200 -18.4859 -41.8718 -12.4588 -42.9985 39.8635 4.57799 -12.5546 3.50606 -10.8199 TIMING: 2207200 CPU: 6404.14, 0.00291172/step Wall: 6404.14, 0.00291172/step, 2.25885 hours remaining, 207.230469 MB of memory in use. ENERGY: 2207200 737.6605 2104.1325 1973.5506 126.9822 -206544.2266 17940.9579 0.0000 0.0000 34034.4126 -149626.5302 297.2310 -183660.9428 -149537.3010 298.2013 51.0420 83.3040 556236.4964 3.5951 3.5192 PRESSURE: 2207400 261.699 55.8457 -101.928 55.8467 0.836254 66.1131 -101.93 66.1134 75.1431 GPRESSURE: 2207400 311.645 109.258 -72.7276 23.8524 51.3983 20.7347 -144.167 40.0472 83.4776 PRESSAVG: 2207400 -35.2052 -26.583 56.177 -26.5829 32.3507 -28.9612 56.1771 -28.9612 56.8892 GPRESSAVG: 2207400 -34.5388 -26.7473 55.5423 -25.1158 32.328 -27.8922 55.5996 -28.9522 56.6369 TIMING: 2207400 CPU: 6404.72, 0.0029304/step Wall: 6404.72, 0.0029304/step, 2.27317 hours remaining, 207.230469 MB of memory in use. ENERGY: 2207400 755.6895 2068.7922 1940.4769 111.1714 -206505.7563 17979.3110 0.0000 0.0000 34235.0546 -149415.2606 298.9832 -183650.3152 -149319.5365 298.4247 112.5595 148.8401 555247.6540 18.0116 18.1420 PRESSURE: 2207600 -355.55 41.8972 78.3619 41.8973 -46.4777 114.144 78.3616 114.143 -149.89 GPRESSURE: 2207600 -283.492 16.504 70.9493 -32.378 -53.6237 105.201 22.4397 123.634 -120.8 PRESSAVG: 2207600 -98.0281 -17.3185 -26.9547 -17.3185 54.7336 -22.4989 -26.9547 -22.499 10.5343 GPRESSAVG: 2207600 -100.594 -17.4096 -28.2264 -18.0309 55.2584 -22.5499 -28.2679 -22.8875 12.0237 TIMING: 2207600 CPU: 6405.3, 0.00289875/step Wall: 6405.3, 0.00289875/step, 2.24846 hours remaining, 207.230469 MB of memory in use. ENERGY: 2207600 706.3087 2086.4495 1950.1406 112.7406 -205807.4718 17385.3486 0.0000 0.0000 34188.6862 -149377.7977 298.5783 -183566.4839 -149277.5749 298.4606 -183.9728 -152.6386 557342.2600 -10.9200 -11.1041 PRESSURE: 2207800 -106.531 35.9468 35.0221 35.9473 44.5705 43.1092 35.0219 43.1104 -88.533 GPRESSURE: 2207800 -55.4334 50.1071 -27.943 -18.5273 48.9274 51.2018 59.3437 58.0061 -42.0038 PRESSAVG: 2207800 -28.0516 -31.354 21.2567 -31.3541 34.6498 -38.5588 21.2568 -38.5588 -40.9399 GPRESSAVG: 2207800 -27.5536 -29.8391 20.4618 -31.3969 35.0535 -38.7335 22.2644 -38.7462 -41.1084 TIMING: 2207800 CPU: 6405.88, 0.00289267/step Wall: 6405.88, 0.00289267/step, 2.24359 hours remaining, 207.230469 MB of memory in use. ENERGY: 2207800 715.2507 2123.8819 1964.8794 114.8314 -205992.1473 17751.4784 0.0000 0.0000 34152.6352 -149169.1904 298.2635 -183321.8256 -149070.5719 298.9062 -50.1646 -16.1699 556973.5042 -11.4472 -11.2028 PRESSURE: 2208000 -53.3052 -165.477 42.9548 -165.475 64.813 -30.3185 42.9553 -30.3195 -134.427 GPRESSURE: 2208000 -50.2907 -119.469 -37.3846 -213.215 119.016 -56.2916 40.4189 -21.9803 -101.544 PRESSAVG: 2208000 -5.45842 -21.4342 -32.2882 -21.4341 7.91295 31.533 -32.2881 31.5331 -15.5839 GPRESSAVG: 2208000 -3.99772 -23.7211 -32.3174 -20.827 7.60522 31.2241 -31.3123 32.6368 -16.7735 TIMING: 2208000 CPU: 6406.46, 0.00288103/step Wall: 6406.46, 0.00288103/step, 2.2344 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2208000 734.1366 2147.5052 1953.7168 124.6041 -206187.2223 17758.9537 0.0000 0.0000 34255.4822 -149212.8236 299.1616 -183468.3059 -149113.5516 298.9275 -40.9730 -10.9397 557227.0881 -4.3765 -4.3887 PRESSURE: 2208200 10.0546 217.248 -111.677 217.248 94.1958 -70.6379 -111.677 -70.6366 -17.1729 GPRESSURE: 2208200 -38.3613 216.36 -108.935 166.247 156.902 -42.2054 -34.5825 -84.6305 61.7962 PRESSAVG: 2208200 37.7374 28.8889 -51.3029 28.8889 -1.5459 -48.011 -51.3029 -48.0111 -51.7292 GPRESSAVG: 2208200 37.7838 30.0591 -51.7489 28.8444 -2.64015 -47.3995 -51.6491 -48.7824 -51.0626 TIMING: 2208200 CPU: 6407.04, 0.00290238/step Wall: 6407.04, 0.00290238/step, 2.2508 hours remaining, 207.230469 MB of memory in use. ENERGY: 2208200 757.5135 2128.7531 1987.4097 107.1978 -206145.4432 17810.1804 0.0000 0.0000 34295.6074 -149058.7813 299.5121 -183354.3887 -148966.0302 299.5737 29.0258 60.1123 556955.8426 -5.1792 -5.3063 LDB: ============= START OF LOAD BALANCING ============== 6410.51 LDB: ============== END OF LOAD BALANCING =============== 6410.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6410.51 LDB: ============= START OF LOAD BALANCING ============== 6410.8 LDB: Largest compute 4821 load 0.029686 is 25.2% of average load 0.117729 LDB: Average compute 0.001724 is 1.5% of average load 0.117729 LDB: TIME 6410.8 LOAD: AVG 0.117729 MAX 0.178651 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.789 MB LDB: TIME 6410.8 LOAD: AVG 0.117729 MAX 0.178651 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: TIME 6410.8 LOAD: AVG 0.117729 MAX 0.178651 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.789 MB LDB: ============== END OF LOAD BALANCING =============== 6410.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6410.81 PRESSURE: 2208400 -324.956 -14.0379 -34.9332 -14.037 -42.2826 -231.435 -34.9343 -231.434 -162.937 GPRESSURE: 2208400 -227.237 29.2148 -49.5349 27.1175 -31.4975 -174.3 -15.8287 -196.302 -175.526 PRESSAVG: 2208400 -74.2702 9.72535 -53.7154 9.72544 19.0175 -69.2792 -53.7154 -69.2792 16.0851 GPRESSAVG: 2208400 -73.7399 10.7197 -54.2785 10.8171 19.5219 -69.2326 -52.4009 -69.499 15.0848 TIMING: 2208400 CPU: 6407.63, 0.00296901/step Wall: 6407.63, 0.00296901/step, 2.3023 hours remaining, 205.925781 MB of memory in use. ENERGY: 2208400 747.6218 2132.1539 1946.8303 121.4436 -205718.2810 17490.3678 0.0000 0.0000 34106.5839 -149173.2796 297.8613 -183279.8635 -149074.8017 299.2914 -176.7251 -144.7532 558227.4880 -13.0559 -13.0444 PRESSURE: 2208600 -63.2677 180.371 116.418 180.373 163.04 54.217 116.418 54.2176 64.8213 GPRESSURE: 2208600 -69.4852 206.714 52.7444 160.286 224.72 89.1057 112.591 72.5761 103.135 PRESSAVG: 2208600 -8.20153 26.2978 32.3634 26.2978 3.93207 -16.6225 32.3633 -16.6224 46.8925 GPRESSAVG: 2208600 -9.54124 25.1706 34.0921 26.5534 4.03078 -17.7417 30.4668 -14.7787 48.2253 TIMING: 2208600 CPU: 6408.21, 0.00289577/step Wall: 6408.21, 0.00289576/step, 2.24534 hours remaining, 205.925781 MB of memory in use. ENERGY: 2208600 773.1346 2149.1194 1944.1475 99.9767 -206171.8467 17782.5949 0.0000 0.0000 34267.4181 -149155.4555 299.2659 -183422.8737 -149057.8618 299.2849 54.8646 86.1231 554730.1463 14.2077 14.2383 PRESSURE: 2208800 -7.97382 -27.8651 96.7076 -27.8662 163.639 -126.047 96.7068 -126.047 33.0361 GPRESSURE: 2208800 50.6222 -74.0376 176.924 -49.0693 207.42 -209.406 20.1036 -49.5988 34.2454 PRESSAVG: 2208800 -43.5617 40.4301 33.1461 40.4302 60.3525 14.9406 33.1461 14.9405 3.11158 GPRESSAVG: 2208800 -42.7877 41.644 34.1812 38.6899 59.9006 14.8725 31.5041 12.3912 2.38469 TIMING: 2208800 CPU: 6408.8, 0.00291578/step Wall: 6408.8, 0.00291578/step, 2.2607 hours remaining, 205.925781 MB of memory in use. ENERGY: 2208800 760.7889 2113.7436 1944.6758 116.0803 -206423.7131 17857.3424 0.0000 0.0000 34531.2132 -149099.8689 301.5697 -183631.0821 -149002.8499 299.8361 62.9004 97.4291 557072.4324 6.6341 6.4992 PRESSURE: 2209000 -153.815 -20.4044 -168.606 -20.4047 53.1245 106.762 -168.607 106.76 -59.5971 GPRESSURE: 2209000 -149.661 -20.235 -180.488 -18.8662 63.9879 150.163 -197.625 130.225 30.8423 PRESSAVG: 2209000 -39.8433 -28.4355 3.25128 -28.4355 -0.585889 15.8199 3.25127 15.8197 20.0451 GPRESSAVG: 2209000 -39.8357 -29.5036 2.48389 -27.857 -0.574493 17.4182 4.02717 15.8681 20.1086 TIMING: 2209000 CPU: 6409.38, 0.00291174/step Wall: 6409.38, 0.00291174/step, 2.2574 hours remaining, 205.925781 MB of memory in use. ENERGY: 2209000 738.6274 2123.3178 1968.0500 124.7818 -206466.1203 17873.8695 0.0000 0.0000 34465.0686 -149172.4052 300.9920 -183637.4738 -149073.9722 299.3591 -53.4293 -18.2770 557661.4845 -6.7947 -6.7672 PRESSURE: 2209200 -112.017 -69.606 99.2797 -69.6065 -52.6343 91.8912 99.2802 91.8906 83.5941 GPRESSURE: 2209200 -77.5775 -87.7606 123.439 -80.7929 -16.2493 -2.92786 69.7518 47.0312 106.939 PRESSAVG: 2209200 20.6 -12.8075 11.1236 -12.8075 -6.48258 26.643 11.1235 26.6429 9.07648 GPRESSAVG: 2209200 20.1956 -14.6184 12.1365 -14.0125 -6.25376 24.3544 11.0408 28.6023 9.16181 TIMING: 2209200 CPU: 6409.96, 0.00289484/step Wall: 6409.96, 0.00289484/step, 2.24415 hours remaining, 205.925781 MB of memory in use. ENERGY: 2209200 743.7203 2119.8069 1949.6229 111.1083 -206015.5980 17854.9908 0.0000 0.0000 34259.5366 -148976.8123 299.1971 -183236.3488 -148884.8214 300.1030 -27.0190 4.3706 558538.0569 7.7313 7.7012 PRESSURE: 2209400 -31.1077 63.5711 55.7214 63.5695 -18.9371 48.9749 55.722 48.974 -99.5146 GPRESSURE: 2209400 16.0909 123.387 141.425 101.584 -3.12041 122.509 28.9149 48.5846 -65.5645 PRESSAVG: 2209400 -51.2854 -23.7652 53.2103 -23.7653 54.4082 31.3474 53.2103 31.3475 -16.6927 GPRESSAVG: 2209400 -52.0674 -20.8617 51.7267 -23.788 53.7787 31.1554 53.7353 30.4715 -15.5751 TIMING: 2209400 CPU: 6410.54, 0.0029029/step Wall: 6410.54, 0.0029029/step, 2.25023 hours remaining, 205.925781 MB of memory in use. ENERGY: 2209400 725.0728 2148.9073 1962.2964 105.8208 -206187.6613 17751.3664 0.0000 0.0000 34377.5417 -149116.6559 300.2276 -183494.1976 -149021.3140 299.5294 -49.8532 -17.5313 557668.4382 -4.5233 -4.6213 PRESSURE: 2209600 110.645 -158.225 -62.8054 -158.226 -124.11 45.0971 -62.8063 45.0969 -291.479 GPRESSURE: 2209600 67.1329 -153.736 -20.5326 -202.997 -84.4383 2.50328 -45.0961 34.2974 -214.344 PRESSAVG: 2209600 55.5697 -5.42118 36.9329 -5.42113 -50.7985 -31.5461 36.9329 -31.5462 -22.3626 GPRESSAVG: 2209600 56.3012 -5.35419 35.8698 -6.26716 -51.034 -30.8391 38.4308 -32.8451 -23.3255 TIMING: 2209600 CPU: 6411.12, 0.00290131/step Wall: 6411.12, 0.00290131/step, 2.24884 hours remaining, 205.925781 MB of memory in use. ENERGY: 2209600 690.7953 2147.9436 1941.9119 116.9120 -205691.8435 17445.3213 0.0000 0.0000 34334.5253 -149014.4340 299.8519 -183348.9593 -148911.4267 300.2388 -101.6481 -77.2164 557955.1575 -5.8638 -6.0194 PRESSURE: 2209800 162.865 -41.9623 -59.6791 -41.962 217.73 -125.882 -59.6769 -125.883 538.493 GPRESSURE: 2209800 176.905 -124.217 -73.5232 44.7268 226.732 -75.4577 -51.7858 -112.535 606.962 PRESSAVG: 2209800 -5.79475 13.9835 -49.7854 13.9835 -80.5466 24.3997 -49.7855 24.3996 129.405 GPRESSAVG: 2209800 -4.51678 10.9095 -48.1164 16.9687 -81.0317 25.1022 -51.7991 24.6308 128.324 TIMING: 2209800 CPU: 6411.7, 0.00288881/step Wall: 6411.7, 0.00288881/step, 2.23899 hours remaining, 205.925781 MB of memory in use. ENERGY: 2209800 723.9491 2114.4096 1948.3189 124.9239 -206652.8896 18201.1276 0.0000 0.0000 34419.7503 -149120.4102 300.5962 -183540.1606 -149020.6312 300.0769 306.3623 336.8662 555783.0042 14.3544 14.2585 PRESSURE: 2210000 190.062 -12.0941 23.8155 -12.0948 202.915 117.281 23.8152 117.282 92.904 GPRESSURE: 2210000 186.461 -32.5662 -52.3671 -17.6298 286.856 174.16 67.8013 144.795 84.7061 PRESSAVG: 2210000 27.482 -62.0217 2.76972 -62.0218 4.23967 53.8476 2.76972 53.8476 21.7424 GPRESSAVG: 2210000 26.3821 -61.377 1.36768 -62.2492 4.23992 53.3959 3.30972 54.4543 22.2178 TIMING: 2210000 CPU: 6412.27, 0.00289349/step Wall: 6412.27, 0.00289349/step, 2.24245 hours remaining, 205.925781 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: 2210000 716.6221 2125.4596 1962.0734 123.9064 -206230.9227 17969.6743 0.0000 0.0000 34237.4679 -149095.7190 299.0043 -183333.1869 -149000.0229 299.6801 161.9604 186.0079 556888.4288 17.8214 17.6133 PRESSURE: 2210200 -160.859 214.247 -1.81612 214.247 -236.586 -162.174 -1.81692 -162.174 -287.997 GPRESSURE: 2210200 -133.736 203.652 -37.8959 189.132 -187.533 -196.83 34.3224 -123.651 -281.338 PRESSAVG: 2210200 19.5911 27.5033 24.6124 27.5033 -24.2695 -2.71164 24.6125 -2.71165 28.9619 GPRESSAVG: 2210200 19.4652 27.832 26.9198 27.2748 -24.4709 -2.87248 26.1888 -4.13675 29.5033 TIMING: 2210200 CPU: 6412.85, 0.00287196/step Wall: 6412.85, 0.00287196/step, 2.22561 hours remaining, 205.925781 MB of memory in use. ENERGY: 2210200 743.6475 2084.8005 1938.5009 114.9427 -205942.8770 17603.4033 0.0000 0.0000 34396.9386 -149060.6434 300.3970 -183457.5820 -148966.2610 299.7007 -228.4811 -200.8690 559119.4505 8.0945 8.1658 PRESSURE: 2210400 146.798 139.685 38.4755 139.685 314.967 -19.0322 38.4765 -19.0316 142.82 GPRESSURE: 2210400 112.102 147.101 87.119 226.714 381.338 -22.5238 73.5637 -44.77 204.158 PRESSAVG: 2210400 -5.49718 13.8322 -10.2859 13.8321 3.08676 -1.19331 -10.2858 -1.19329 3.09856 GPRESSAVG: 2210400 -6.45555 16.8043 -11.2726 14.0961 4.39357 -0.709573 -10.8176 -1.25126 3.02587 TIMING: 2210400 CPU: 6413.43, 0.00290127/step Wall: 6413.43, 0.00290127/step, 2.24816 hours remaining, 205.925781 MB of memory in use. ENERGY: 2210400 706.2933 2106.9338 1973.3235 106.0560 -206252.6237 17963.2727 0.0000 0.0000 34185.6630 -149211.0813 298.5519 -183396.7444 -149109.2271 299.7391 201.5284 232.5326 556623.8144 0.2294 0.3213 PRESSURE: 2210600 215.073 6.41311 76.6635 6.41206 -103.897 -53.5971 76.6633 -53.5967 6.60799 GPRESSURE: 2210600 236.751 -36.7952 30.5399 61.8965 -61.5614 -35.6476 111.721 -34.8433 42.6225 PRESSAVG: 2210600 -18.342 18.7141 58.9992 18.7141 27.3275 -37.2897 58.9992 -37.2897 2.51995 GPRESSAVG: 2210600 -16.7349 16.2409 59.2037 19.4754 26.1839 -35.0637 58.6072 -37.891 2.18854 TIMING: 2210600 CPU: 6414.01, 0.00288785/step Wall: 6414.01, 0.00288785/step, 2.2376 hours remaining, 205.925781 MB of memory in use. ENERGY: 2210600 719.2171 2059.0553 1983.3460 120.7106 -206511.1702 18036.3462 0.0000 0.0000 34347.6664 -149244.8285 299.9667 -183592.4950 -149149.4568 299.3065 39.2613 72.6039 557739.7604 3.8351 3.8792 PRESSURE: 2210800 80.2633 75.838 -5.21922 75.8374 60.4556 -58.4208 -5.21989 -58.4199 116.566 GPRESSURE: 2210800 144.231 -27.2016 -50.119 86.2184 118.79 -133.509 -37.3732 1.51997 94.58 PRESSAVG: 2210800 -54.8581 -28.9083 33.6214 -28.9082 72.0146 26.5375 33.6215 26.5375 4.74633 GPRESSAVG: 2210800 -55.4179 -27.3304 33.1525 -31.5982 71.7161 23.5109 32.9028 28.4063 5.73894 TIMING: 2210800 CPU: 6414.58, 0.00289026/step Wall: 6414.58, 0.00289026/step, 2.23931 hours remaining, 205.925781 MB of memory in use. ENERGY: 2210800 713.2123 2129.0032 1928.4430 115.1963 -206371.8530 17995.1646 0.0000 0.0000 34122.8932 -149367.9404 298.0037 -183490.8335 -149271.1022 298.6091 85.7616 119.2004 557244.9362 7.3009 7.3457 PRESSURE: 2211000 272.197 -51.7907 -49.4892 -51.7892 18.4212 -125.178 -49.4889 -125.177 -325.268 GPRESSURE: 2211000 294.489 -90.2863 -5.21191 -138.831 35.0542 -88.6775 -91.4663 -106.971 -269.466 PRESSAVG: 2211000 -1.00343 -17.6727 -39.1034 -17.6726 45.819 -53.5455 -39.1034 -53.5455 -4.78093 GPRESSAVG: 2211000 -1.15463 -17.8619 -38.0564 -15.8878 46.1211 -52.4524 -38.2545 -55.3088 -4.98187 TIMING: 2211000 CPU: 6415.16, 0.00289392/step Wall: 6415.16, 0.00289392/step, 2.24198 hours remaining, 205.925781 MB of memory in use. ENERGY: 2211000 775.4125 2095.6100 1959.0930 127.7449 -206409.5391 17828.0361 0.0000 0.0000 34107.0119 -149516.6305 297.8650 -183623.6424 -149428.8813 298.6499 -11.5498 20.0257 555933.7622 13.3449 13.3282 PRESSURE: 2211200 40.3612 16.2975 24.4827 16.2975 -136.452 -25.7662 24.4831 -25.7656 -103.246 GPRESSURE: 2211200 59.5449 -62.6311 -8.9312 -12.8774 -140.592 23.4274 -58.6049 -52.5816 -13.0169 PRESSAVG: 2211200 20.5774 5.88408 40.1039 5.88406 -48.7235 -64.1408 40.1039 -64.1407 6.65013 GPRESSAVG: 2211200 20.904 1.89436 38.121 7.35494 -48.9164 -63.1538 41.0786 -63.8715 6.87404 TIMING: 2211200 CPU: 6415.75, 0.00291838/step Wall: 6415.75, 0.00291838/step, 2.26077 hours remaining, 205.925781 MB of memory in use. ENERGY: 2211200 783.9187 2123.7861 1946.7237 108.8816 -206303.1453 17699.9336 0.0000 0.0000 34211.5508 -149428.3507 298.7780 -183639.9015 -149338.4419 298.6012 -66.4459 -31.3547 555881.1180 -7.1653 -7.0461 PRESSURE: 2211400 -207.39 70.0658 33.5007 70.0662 -415.8 -176.56 33.4998 -176.56 -181.27 GPRESSURE: 2211400 -131.229 -16.6759 9.47611 21.6224 -392.871 -162.927 30.6883 -195.538 -185.37 PRESSAVG: 2211400 50.5667 -65.0864 8.58375 -65.0865 -64.9544 -3.70438 8.5837 -3.70452 5.86446 GPRESSAVG: 2211400 50.5764 -60.5184 10.6401 -66.5996 -64.6696 -3.68213 9.01561 -2.50407 5.80456 TIMING: 2211400 CPU: 6416.34, 0.00294922/step Wall: 6416.34, 0.00294922/step, 2.2845 hours remaining, 205.925781 MB of memory in use. ENERGY: 2211400 782.9683 2090.1466 1965.4699 121.0373 -205931.0020 17383.9110 0.0000 0.0000 34093.9095 -149493.5593 297.7506 -183587.4689 -149400.9833 298.5171 -268.1534 -236.4900 557997.7593 -2.8411 -2.7629 PRESSURE: 2211600 -62.0164 -60.5634 -92.6067 -60.5626 -64.1472 94.4945 -92.6065 94.4944 318.135 GPRESSURE: 2211600 0.108723 -56.9492 -18.8086 -33.9728 -90.923 67.9971 -115.872 121.95 385.359 PRESSAVG: 2211600 -2.99394 -48.328 43.1773 -48.328 -39.879 -5.01686 43.1773 -5.01691 58.6934 GPRESSAVG: 2211600 -2.98177 -48.3043 43.6155 -49.8917 -40.0594 -5.45952 40.9885 -5.90388 59.1975 TIMING: 2211600 CPU: 6416.92, 0.00289731/step Wall: 6416.92, 0.00289731/step, 2.24413 hours remaining, 205.925781 MB of memory in use. ENERGY: 2211600 751.5417 2122.5460 1976.3242 117.8258 -206624.0875 17959.8240 0.0000 0.0000 34266.2874 -149429.7386 299.2560 -183696.0260 -149330.3826 298.4121 63.9906 98.1817 555555.8848 5.2735 5.3854 PRESSURE: 2211800 98.2262 31.6111 -134.855 31.6109 -147.02 -202.581 -134.855 -202.579 139.937 GPRESSURE: 2211800 136.244 140.82 -89.4345 17.8745 -87.1712 -140.387 -178.774 -171.989 136.702 PRESSAVG: 2211800 52.6126 -24.0752 40.1493 -24.0753 2.70441 3.77418 40.1494 3.77421 -80.6275 GPRESSAVG: 2211800 52.3581 -24.7076 39.7365 -22.2876 3.01057 4.09643 41.2233 3.12925 -80.8637 TIMING: 2211800 CPU: 6417.49, 0.00288688/step Wall: 6417.49, 0.00288688/step, 2.23588 hours remaining, 205.925781 MB of memory in use. ENERGY: 2211800 746.8943 2111.8272 1962.4058 123.3336 -206357.9334 17916.0969 0.0000 0.0000 34149.7091 -149347.6666 298.2379 -183497.3756 -149246.3481 299.3316 30.3814 61.9249 556472.4113 -8.4368 -8.4983 PRESSURE: 2212000 63.9119 -96.5344 5.01696 -96.5338 27.4791 -26.0473 5.01775 -26.0476 -82.3558 GPRESSURE: 2212000 100.103 -64.012 32.1511 -133.871 -8.30567 -46.0699 -18.2061 26.5113 6.1892 PRESSAVG: 2212000 15.9541 -10.863 18.4964 -10.8629 -38.0766 -66.9811 18.4963 -66.9811 6.15099 GPRESSAVG: 2212000 16.3243 -11.9754 17.5509 -11.8675 -38.8479 -67.5257 19.7305 -65.4737 6.31037 TIMING: 2212000 CPU: 6418.07, 0.00289499/step Wall: 6418.07, 0.00289499/step, 2.24201 hours remaining, 205.925781 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: 2212000 735.1143 2084.0060 1949.5193 108.9207 -206203.4067 17738.5262 0.0000 0.0000 34199.6605 -149387.6596 298.6741 -183587.3201 -149295.0809 298.7007 3.0117 32.6621 557063.0161 -5.3238 -5.4044 PRESSURE: 2212200 177.202 -120.872 -8.749 -120.871 62.8432 -111.175 -8.74925 -111.176 236.755 GPRESSURE: 2212200 189.861 -99.3116 -19.3419 -106.595 121.852 -167.277 31.4175 -52.4581 268.995 PRESSAVG: 2212200 44.4661 -37.4917 14.1153 -37.4917 10.348 -40.6306 14.1154 -40.6305 -23.4381 GPRESSAVG: 2212200 44.2567 -38.8417 14.8381 -37.0724 10.8291 -42.7581 11.6505 -40.177 -23.7577 TIMING: 2212200 CPU: 6418.66, 0.00291697/step Wall: 6418.66, 0.00291697/step, 2.25887 hours remaining, 205.925781 MB of memory in use. ENERGY: 2212200 751.9989 2103.4037 1965.9582 128.6121 -206858.0208 18140.1301 0.0000 0.0000 34314.6504 -149453.2675 299.6784 -183767.9179 -149355.2448 298.2648 158.9336 193.5691 555503.6285 10.4587 10.4427 LDB: ============= START OF LOAD BALANCING ============== 6422.12 LDB: ============== END OF LOAD BALANCING =============== 6422.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6422.12 LDB: ============= START OF LOAD BALANCING ============== 6422.41 LDB: Largest compute 4821 load 0.031743 is 26.9% of average load 0.117792 LDB: Average compute 0.001734 is 1.5% of average load 0.117792 LDB: TIME 6422.41 LOAD: AVG 0.117792 MAX 0.178299 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 6422.41 LOAD: AVG 0.117792 MAX 0.178299 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.484 MB LDB: TIME 6422.41 LOAD: AVG 0.117792 MAX 0.178299 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.484 MB LDB: ============== END OF LOAD BALANCING =============== 6422.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6422.42 PRESSURE: 2212400 194.541 98.1365 96.7369 98.1367 -10.6617 13.1963 96.7367 13.1978 -298.482 GPRESSURE: 2212400 222.395 132.793 40.6658 -9.70921 65.2736 92.1473 164.168 -9.93065 -297.731 PRESSAVG: 2212400 24.3116 -83.6893 29.4873 -83.6893 -5.21245 -82.622 29.4873 -82.622 -7.97847 GPRESSAVG: 2212400 25.3905 -82.6519 26.851 -84.3674 -4.93611 -79.3607 31.8877 -83.6808 -8.40939 TIMING: 2212400 CPU: 6419.25, 0.00294715/step Wall: 6419.25, 0.00294715/step, 2.28208 hours remaining, 207.988281 MB of memory in use. ENERGY: 2212400 718.1058 2035.4556 1957.2574 128.3256 -205740.8819 17534.9503 0.0000 0.0000 34189.8171 -149176.9700 298.5882 -183366.7871 -149077.0951 298.8151 -38.2009 -3.3541 556400.0655 3.7069 4.0150 PRESSURE: 2212600 44.909 227.783 62.6684 227.784 217.7 -21.7189 62.6676 -21.7183 16.156 GPRESSURE: 2212600 65.0125 275.082 98.9411 177.532 220.08 7.83829 -47.755 -99.5311 89.9967 PRESSAVG: 2212600 30.4957 9.23753 40.3445 9.23745 0.0855717 39.0412 40.3446 39.0411 -29.5175 GPRESSAVG: 2212600 29.7888 9.82159 43.4209 10.3529 -0.35461 39.5288 38.4437 39.3521 -28.4603 TIMING: 2212600 CPU: 6419.82, 0.00288854/step Wall: 6419.82, 0.00288854/step, 2.23653 hours remaining, 208.230469 MB of memory in use. ENERGY: 2212600 747.2239 2092.9675 1969.8824 116.5438 -206319.3639 17908.2087 0.0000 0.0000 34099.8003 -149384.7374 297.8020 -183484.5377 -149286.2572 299.4574 92.9215 125.0298 555126.5829 0.3546 0.3246 PRESSURE: 2212800 121.174 204.05 -34.4684 204.049 137.746 -11.2711 -34.4681 -11.2717 301.942 GPRESSURE: 2212800 199.539 146.617 -40.0109 196.405 163.151 21.4301 -43.5535 13.5902 306.742 PRESSAVG: 2212800 -15.7962 22.2852 66.1431 22.2852 25.7911 78.7515 66.1431 78.7515 -4.67821 GPRESSAVG: 2212800 -15.3508 22.7599 65.493 21.1218 24.6094 77.5152 67.0438 78.7315 -3.89705 TIMING: 2212800 CPU: 6420.4, 0.00289378/step Wall: 6420.4, 0.00289378/step, 2.24043 hours remaining, 208.230469 MB of memory in use. ENERGY: 2212800 714.0619 2051.6749 1959.4891 115.3703 -206320.2079 17821.8036 0.0000 0.0000 34209.7840 -149448.0241 298.7626 -183657.8082 -149351.1446 298.8065 186.9539 223.1440 553905.3371 1.7722 1.7872 PRESSURE: 2213000 -281.902 84.7407 107.892 84.7411 -205.59 -160.689 107.892 -160.689 -430.345 GPRESSURE: 2213000 -266.864 149.902 74.3155 35.9083 -167.592 -75.8717 129.008 -126.078 -398.482 PRESSAVG: 2213000 65.7552 13.1312 -34.5514 13.1313 -3.37374 2.97505 -34.5514 2.97498 -60.314 GPRESSAVG: 2213000 65.7517 10.9004 -33.0243 12.9437 -2.13621 5.25951 -33.9488 1.83854 -62.2107 TIMING: 2213000 CPU: 6420.98, 0.00289021/step Wall: 6420.98, 0.00289021/step, 2.2375 hours remaining, 208.429688 MB of memory in use. ENERGY: 2213000 759.4554 2137.0570 1955.0203 102.7959 -205782.2300 17328.0630 0.0000 0.0000 34119.8176 -149380.0209 297.9769 -183499.8384 -149280.8460 298.8624 -305.9454 -277.6459 556477.1669 0.6891 0.4683 PRESSURE: 2213200 99.6936 24.0665 67.8556 24.0658 -313.375 -57.4211 67.8558 -57.4201 -74.9341 GPRESSURE: 2213200 109.82 20.7616 34.5273 11.825 -259.46 -78.011 17.8162 -82.216 -44.3308 PRESSAVG: 2213200 -54.8912 73.6783 -0.426644 73.6783 14.0938 16.8371 -0.426624 16.8371 -16.1588 GPRESSAVG: 2213200 -55.7132 73.531 -1.60262 75.6857 14.4554 13.6423 -1.81388 19.2092 -15.1908 TIMING: 2213200 CPU: 6421.56, 0.0028839/step Wall: 6421.56, 0.0028839/step, 2.23246 hours remaining, 208.429688 MB of memory in use. ENERGY: 2213200 788.7067 2101.0890 1964.5163 112.7372 -205974.6147 17619.9760 0.0000 0.0000 34070.6105 -149316.9790 297.5471 -183387.5895 -149212.4742 298.8354 -96.2052 -64.6570 556835.8167 -18.9854 -18.8162 PRESSURE: 2213400 -271.632 49.0323 87.6529 49.032 -257.226 -140.331 87.6527 -140.332 -9.78459 GPRESSURE: 2213400 -256.958 -12.9435 131.927 62.3122 -125.903 -177.097 44.7839 -139.979 -53.5596 PRESSAVG: 2213400 -76.8444 41.4281 -6.32383 41.4281 9.52233 28.6481 -6.32386 28.6481 20.6017 GPRESSAVG: 2213400 -76.6918 42.3412 -6.91339 40.7865 9.34238 29.4631 -7.9621 26.9506 20.3787 TIMING: 2213400 CPU: 6422.13, 0.00286862/step Wall: 6422.13, 0.00286862/step, 2.22047 hours remaining, 208.429688 MB of memory in use. ENERGY: 2213400 799.3609 2104.8463 1965.2992 126.7983 -206390.0334 17728.5597 0.0000 0.0000 34231.5402 -149433.6288 298.9526 -183665.1689 -149337.1492 298.9055 -179.5477 -145.4735 556804.9906 -15.5735 -15.6569 PRESSURE: 2213600 181.859 -89.8993 157.612 -89.8991 -135.455 48.6114 157.611 48.6112 1.65661 GPRESSURE: 2213600 162.572 -172.535 85.0114 -100.605 -35.9984 9.51376 232.54 75.5607 17.2213 PRESSAVG: 2213600 12.8979 -33.744 -11.3191 -33.744 -26.4148 -35.5734 -11.319 -35.5733 7.08608 GPRESSAVG: 2213600 13.8156 -34.7108 -10.5058 -34.8017 -26.6268 -33.4655 -9.3687 -34.6945 6.20855 TIMING: 2213600 CPU: 6422.71, 0.00289901/step Wall: 6422.71, 0.00289901/step, 2.24384 hours remaining, 208.429688 MB of memory in use. ENERGY: 2213600 779.7742 2106.7711 1968.1741 107.1441 -206808.7700 18025.5134 0.0000 0.0000 34270.7720 -149550.6211 299.2952 -183821.3931 -149450.1355 298.5710 16.0202 47.9317 556147.6108 -2.1436 -2.2009 PRESSURE: 2213800 -134.884 -233.958 -16.1627 -233.958 240.686 50.9617 -16.162 50.9618 -518.65 GPRESSURE: 2213800 -129.356 -171.461 -43.9476 -214.773 263.132 47.538 5.02407 95.3949 -457.195 PRESSAVG: 2213800 -10.5484 -61.6663 7.53342 -61.6663 51.8988 -28.9396 7.53335 -28.9396 -55.6614 GPRESSAVG: 2213800 -10.2267 -61.8974 7.74706 -58.425 52.3343 -30.0675 7.60689 -27.8844 -55.8713 TIMING: 2213800 CPU: 6423.29, 0.00290783/step Wall: 6423.29, 0.00290783/step, 2.2505 hours remaining, 208.429688 MB of memory in use. ENERGY: 2213800 764.1338 2106.6180 1946.7971 115.1439 -206023.9256 17570.9720 0.0000 0.0000 34108.7405 -149411.5203 297.8801 -183520.2608 -149311.8262 297.8736 -137.6159 -107.8063 557777.8801 -4.7703 -4.5879 PRESSURE: 2214000 104.086 13.9533 -50.3606 13.953 192.421 7.2214 -50.3614 7.22309 -206.052 GPRESSURE: 2214000 134.327 12.3621 8.09573 -63.4543 227.471 -60.3192 -74.0847 77.2937 -176.359 PRESSAVG: 2214000 47.1616 -42.5623 -15.9652 -42.5623 47.872 9.64873 -15.9652 9.64869 -104.129 GPRESSAVG: 2214000 47.3173 -41.8045 -17.432 -46.5678 46.99 9.72359 -14.9814 8.32515 -103.243 TIMING: 2214000 CPU: 6423.88, 0.00292816/step Wall: 6423.88, 0.00292816/step, 2.26607 hours remaining, 208.429688 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: 2214000 748.3152 2088.3942 1967.4933 115.2072 -206523.9273 17972.9974 0.0000 0.0000 34399.4014 -149232.1185 300.4185 -183631.5199 -149142.0555 298.8474 30.1515 61.8129 556020.4936 -3.0318 -2.9784 PRESSURE: 2214200 73.5709 -76.7275 87.3698 -76.7266 100.845 36.0283 87.3701 36.0299 81.4634 GPRESSURE: 2214200 108.275 -174.832 100.823 -61.3004 144.311 -29.1858 100.794 40.0202 101.934 PRESSAVG: 2214200 63.0906 -43.1431 -8.25393 -43.1431 41.2958 -13.8094 -8.25382 -13.8094 -102.321 GPRESSAVG: 2214200 62.8538 -44.1454 -8.733 -41.5708 43.2714 -14.3237 -7.65738 -14.7451 -103.437 TIMING: 2214200 CPU: 6424.46, 0.00290881/step Wall: 6424.46, 0.00290881/step, 2.25093 hours remaining, 208.429688 MB of memory in use. ENERGY: 2214200 739.1738 2090.9977 1937.7096 124.2906 -206219.0275 17846.4152 0.0000 0.0000 34391.9606 -149088.4800 300.3535 -183480.4407 -148996.5133 299.1151 85.2931 118.1736 556571.4338 0.6885 0.8961 PRESSURE: 2214400 353.356 -146.603 -25.34 -146.603 228.551 -169.247 -25.3399 -169.247 207.55 GPRESSURE: 2214400 413.177 -95.4966 -87.3496 -242.421 276.993 -222.84 -58.873 -150.121 193.984 PRESSAVG: 2214400 28.9624 1.76802 -75.6459 1.76794 -12.3777 -39.6872 -75.6458 -39.6873 -46.4115 GPRESSAVG: 2214400 27.9853 4.12768 -75.4258 1.44954 -11.649 -39.9379 -77.4267 -37.912 -46.5742 TIMING: 2214400 CPU: 6425.04, 0.0029161/step Wall: 6425.04, 0.0029161/step, 2.25641 hours remaining, 208.429688 MB of memory in use. ENERGY: 2214400 733.2977 2119.5963 1976.1640 117.1225 -206626.9401 18206.9649 0.0000 0.0000 34371.0457 -149102.7490 300.1709 -183473.7948 -149003.5373 299.7444 263.1521 294.7182 557278.7334 -9.9423 -10.0793 PRESSURE: 2214600 300.418 3.01583 -135.349 3.01631 183.774 113.022 -135.348 113.024 110.004 GPRESSURE: 2214600 304.079 -35.5248 -71.311 -3.10164 275.253 180.722 -138.101 147.322 114.1 PRESSAVG: 2214600 37.8569 10.965 11.3109 10.9649 45.6367 -28.4149 11.311 -28.415 -63.8912 GPRESSAVG: 2214600 37.6568 9.97068 11.0028 11.6892 44.1117 -27.983 11.6194 -28.3374 -62.6117 TIMING: 2214600 CPU: 6425.63, 0.00291513/step Wall: 6425.63, 0.00291513/step, 2.2555 hours remaining, 208.429688 MB of memory in use. ENERGY: 2214600 732.1330 2161.8629 1954.4074 113.8581 -206451.3767 18063.8685 0.0000 0.0000 34570.4157 -148854.8311 301.9120 -183425.2469 -148756.1973 299.2512 198.0654 231.1439 556964.0683 6.5341 6.3856 PRESSURE: 2214800 86.9425 -39.0603 -4.60839 -39.0604 238.666 75.271 -4.60913 75.2711 -116.376 GPRESSURE: 2214800 143.015 -32.8273 34.8263 38.043 219.463 60.638 51.8038 91.1472 -60.1635 PRESSAVG: 2214800 37.3381 4.97318 11.8128 4.97319 21.4821 -17.9575 11.8128 -17.9575 -19.7624 GPRESSAVG: 2214800 38.7479 3.95289 11.0636 6.12509 21.0119 -17.2792 12.8906 -19.6823 -20.3504 TIMING: 2214800 CPU: 6426.21, 0.0029087/step Wall: 6426.21, 0.0029087/step, 2.25037 hours remaining, 208.429688 MB of memory in use. ENERGY: 2214800 770.9371 2131.2366 1973.7325 129.4176 -206129.4399 17856.2286 0.0000 0.0000 34288.4485 -148979.4391 299.4495 -183267.8876 -148882.8153 300.0823 69.7444 100.7714 556458.5563 13.0193 13.1365 PRESSURE: 2215000 -88.8214 -18.254 -116.769 -18.2541 -222.805 35.1801 -116.769 35.1792 -15.2771 GPRESSURE: 2215000 -59.4443 -17.6305 -172.286 0.246812 -197.86 -35.7954 -75.2746 30.0493 20.5544 PRESSAVG: 2215000 46.6091 -26.3209 43.7438 -26.321 17.7965 24.2592 43.7438 24.2592 -56.0288 GPRESSAVG: 2215000 45.8607 -25.2542 44.4143 -26.1216 18.1903 22.3091 40.1364 26.0181 -55.7556 TIMING: 2215000 CPU: 6426.79, 0.00289577/step Wall: 6426.79, 0.00289577/step, 2.2402 hours remaining, 208.429688 MB of memory in use. ENERGY: 2215000 760.8293 2072.0087 1950.3470 127.2333 -206048.9749 17721.6366 0.0000 0.0000 34450.5293 -148966.3906 300.8650 -183416.9198 -148879.3229 300.0557 -108.9679 -78.9168 556950.0686 2.7922 2.7651 PRESSURE: 2215200 -110.315 189.255 -60.9787 189.254 122.326 -142.771 -60.9793 -142.772 -124.437 GPRESSURE: 2215200 -14.0948 159.017 -159.17 235.545 164.862 -147.681 -18.1808 -175.632 -170.266 PRESSAVG: 2215200 -41.716 31.1277 -8.35794 31.1276 48.0004 41.2738 -8.35786 41.2738 2.82287 GPRESSAVG: 2215200 -41.8397 28.9724 -8.97587 28.5649 47.6252 43.8348 -7.61421 40.095 3.39181 TIMING: 2215200 CPU: 6427.37, 0.00290524/step Wall: 6427.37, 0.00290524/step, 2.24736 hours remaining, 208.429688 MB of memory in use. ENERGY: 2215200 768.8867 2056.5408 1953.2505 136.7964 -206210.8538 17909.2093 0.0000 0.0000 34241.7794 -149144.3906 299.0420 -183386.1700 -149048.6589 299.7899 -37.4750 -6.4996 557581.8000 3.0358 3.0591 PRESSURE: 2215400 -13.2505 131.34 -57.6236 131.34 -67.3308 126.297 -57.6226 126.297 176.914 GPRESSURE: 2215400 37.8079 237.011 -58.0897 60.1149 -17.014 166.283 -54.2459 185.888 191.947 PRESSAVG: 2215400 -2.56962 12.2083 7.30173 12.2083 -12.5351 25.8775 7.30176 25.8775 44.5966 GPRESSAVG: 2215400 -1.90447 12.8226 6.00949 14.9367 -13.3735 23.7731 8.19402 26.8237 45.2159 TIMING: 2215400 CPU: 6427.95, 0.0029017/step Wall: 6427.95, 0.0029017/step, 2.24447 hours remaining, 208.429688 MB of memory in use. ENERGY: 2215400 778.1557 2056.4192 1956.6537 112.7570 -206164.0999 17958.9255 0.0000 0.0000 34150.5162 -149150.6726 298.2450 -183301.1888 -149045.0851 299.3344 32.1108 70.9135 558390.7474 9.8306 9.9793 PRESSURE: 2215600 326.492 62.5602 -115.596 62.56 -42.6135 98.7306 -115.595 98.7311 132.474 GPRESSURE: 2215600 276.637 81.7769 -128.355 147.852 -23.4453 165.203 -88.894 97.431 270.962 PRESSAVG: 2215600 17.8384 49.9876 1.94163 49.9875 -31.0644 10.1224 1.94162 10.1225 28.8698 GPRESSAVG: 2215600 17.3464 49.0315 1.90836 48.3616 -29.162 10.764 2.85972 11.4085 27.9497 TIMING: 2215600 CPU: 6428.53, 0.00289907/step Wall: 6428.53, 0.00289907/step, 2.24227 hours remaining, 208.570312 MB of memory in use. ENERGY: 2215600 736.7890 2115.2403 1949.5674 109.8972 -206403.2281 17992.9766 0.0000 0.0000 34462.4222 -149036.3355 300.9689 -183498.7576 -148942.6444 299.8216 138.7842 174.7179 555885.5724 5.2146 5.3780 PRESSURE: 2215800 -187.005 -42.9482 153.65 -42.9486 -176.721 -164.865 153.649 -164.864 -168.216 GPRESSURE: 2215800 -142.581 -47.2144 54.2966 -106.101 -174.453 -105.94 75.0303 -89.8507 -117.271 PRESSAVG: 2215800 -31.9321 22.6204 28.5322 22.6205 -15.6325 -2.41514 28.5321 -2.41511 -3.39825 GPRESSAVG: 2215800 -31.9853 23.3823 29.6701 22.2294 -15.7847 -0.856411 27.3367 -5.34571 -3.24217 TIMING: 2215800 CPU: 6429.11, 0.00289156/step Wall: 6429.11, 0.00289156/step, 2.2363 hours remaining, 208.570312 MB of memory in use. ENERGY: 2215800 722.5147 2101.6059 1939.4910 116.7813 -205562.5519 17455.5118 0.0000 0.0000 34343.5479 -148883.0994 299.9307 -183226.6472 -148786.0050 299.7024 -177.3139 -144.7686 557707.1711 -16.9876 -17.0041 PRESSURE: 2216000 -290.403 -85.6854 175.253 -85.6846 -167.151 -33.8412 175.254 -33.8394 -350.209 GPRESSURE: 2216000 -226.088 -97.8739 134.789 -68.1137 -131.002 -61.7614 188.739 6.6005 -340.48 PRESSAVG: 2216000 -23.5268 24.1044 3.85213 24.1043 37.8625 -5.21521 3.85215 -5.2152 -2.56462 GPRESSAVG: 2216000 -23.5437 23.8533 1.78361 23.5884 38.369 -4.75745 4.34235 -4.45716 -3.3915 TIMING: 2216000 CPU: 6429.68, 0.00289357/step Wall: 6429.68, 0.00289357/step, 2.23769 hours remaining, 208.570312 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: 2216000 741.0274 2106.2092 1972.7252 122.9963 -205758.1389 17306.6614 0.0000 0.0000 34406.7925 -149101.7267 300.4831 -183508.5192 -149007.2247 299.6613 -269.2542 -232.5233 557324.0325 3.9237 3.8113 PRESSURE: 2216200 -234.866 -72.0797 23.8955 -72.0789 86.3176 3.11458 23.8967 3.11348 112.461 GPRESSURE: 2216200 -196.028 -54.3459 7.6238 -100.424 79.8827 67.2027 16.5936 -7.96145 176.027 PRESSAVG: 2216200 6.25191 44.2378 -1.22527 44.2379 -3.30243 -48.0621 -1.22525 -48.0621 -8.34246 GPRESSAVG: 2216200 5.59167 45.3815 -0.446853 44.4836 -3.58292 -48.987 -0.756383 -48.1628 -7.93218 TIMING: 2216200 CPU: 6430.26, 0.00290003/step Wall: 6430.26, 0.00290003/step, 2.24253 hours remaining, 208.570312 MB of memory in use. ENERGY: 2216200 729.1379 2085.4970 1958.3552 97.8283 -205787.8963 17838.7869 0.0000 0.0000 34212.6056 -148865.6854 298.7872 -183078.2910 -148774.9957 299.3428 -12.0289 19.9605 556763.7263 -1.7977 -1.9745 LDB: ============= START OF LOAD BALANCING ============== 6433.73 LDB: ============== END OF LOAD BALANCING =============== 6433.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6433.73 LDB: ============= START OF LOAD BALANCING ============== 6434.02 LDB: Largest compute 4821 load 0.030640 is 26.0% of average load 0.117745 LDB: Average compute 0.001723 is 1.5% of average load 0.117745 LDB: TIME 6434.03 LOAD: AVG 0.117745 MAX 0.181314 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 6434.03 LOAD: AVG 0.117745 MAX 0.181314 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 6434.03 LOAD: AVG 0.117745 MAX 0.181314 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6434.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6434.03 PRESSURE: 2216400 -44.7671 22.1685 -54.4411 22.167 -235.972 -21.317 -54.4422 -21.3171 -290.848 GPRESSURE: 2216400 -45.6704 31.0227 -29.1977 -29.7381 -185.114 -79.1653 30.8113 11.1549 -250.295 PRESSAVG: 2216400 56.3916 13.4815 8.95911 13.4816 -19.9743 -33.623 8.95904 -33.623 -3.0434 GPRESSAVG: 2216400 56.3523 13.9259 9.22712 13.5086 -19.5167 -36.0488 9.02816 -32.5459 -3.33014 TIMING: 2216400 CPU: 6430.86, 0.00296465/step Wall: 6430.86, 0.00296465/step, 2.29233 hours remaining, 205.617188 MB of memory in use. ENERGY: 2216400 794.4096 2077.0603 1947.9366 114.8061 -206066.9709 17640.5174 0.0000 0.0000 34490.2726 -149001.9684 301.2121 -183492.2410 -148902.7813 299.7661 -190.5289 -160.3600 558121.6480 11.1246 11.1685 PRESSURE: 2216600 -143.88 94.5428 -67.7224 94.5434 -126.434 3.46302 -67.7216 3.4618 55.398 GPRESSURE: 2216600 -147.604 138.23 -118.979 46.0599 -129.52 51.8385 -26.3831 -56.5488 167.32 PRESSAVG: 2216600 -5.74207 42.8003 -16.7936 42.8002 3.00417 6.80672 -16.7936 6.8067 -29.2024 GPRESSAVG: 2216600 -4.69141 41.7367 -16.5663 45.432 2.6086 9.39025 -17.9204 6.01011 -29.6074 TIMING: 2216600 CPU: 6431.44, 0.00292389/step Wall: 6431.44, 0.00292389/step, 2.26066 hours remaining, 206.078125 MB of memory in use. ENERGY: 2216600 746.8211 2101.6121 1943.7760 111.8496 -206116.7224 17771.2462 0.0000 0.0000 34323.9350 -149117.4824 299.7595 -183441.4174 -149023.5719 299.8942 -71.6386 -36.6012 557489.8461 -10.6468 -10.5634 PRESSURE: 2216800 -109.998 -12.6438 -58.1008 -12.6432 -219.543 16.9455 -58.0994 16.9456 68.1665 GPRESSURE: 2216800 -98.7739 -46.9847 -47.913 -1.04341 -159.863 -25.6229 -46.2793 62.4848 99.4989 PRESSAVG: 2216800 -24.5338 23.39 -15.7968 23.3901 5.17631 -8.25247 -15.7968 -8.25258 7.62165 GPRESSAVG: 2216800 -25.391 23.5481 -16.898 21.2519 4.83272 -9.93061 -16.1828 -4.97786 8.65077 TIMING: 2216800 CPU: 6432.02, 0.00291008/step Wall: 6432.02, 0.00291008/step, 2.24982 hours remaining, 206.078125 MB of memory in use. ENERGY: 2216800 754.5401 2097.2608 1964.1419 107.1620 -206109.6810 17823.7600 0.0000 0.0000 34168.5254 -149194.2906 298.4022 -183362.8161 -149096.1298 299.1213 -87.1246 -53.0460 558576.2144 -3.9119 -3.9692 PRESSURE: 2217000 8.59011 119.681 104.776 119.681 1.99071 149.352 104.775 149.352 17.1788 GPRESSURE: 2217000 -42.7304 106.02 97.1515 85.3277 119.472 125.515 129.736 105.304 57.9935 PRESSAVG: 2217000 55.2098 -18.5164 -56.9576 -18.5164 -52.9948 -11.7528 -56.9576 -11.7529 11.5938 GPRESSAVG: 2217000 55.0099 -19.4337 -56.9724 -17.6131 -52.6601 -10.6487 -56.0503 -14.6033 11.032 TIMING: 2217000 CPU: 6432.6, 0.00288597/step Wall: 6432.6, 0.00288597/step, 2.23101 hours remaining, 206.078125 MB of memory in use. ENERGY: 2217000 746.0445 2185.4879 1974.0370 112.1634 -205987.7886 17645.1836 0.0000 0.0000 34308.0607 -149016.8115 299.6208 -183324.8722 -148927.0885 300.2233 9.2532 44.9118 556188.5504 4.6029 4.4606 PRESSURE: 2217200 -35.3946 77.6617 -258.668 77.6624 -36.6815 -66.6169 -258.667 -66.6172 347.03 GPRESSURE: 2217200 24.627 -14.0482 -274.072 119.85 51.2481 -96.3199 -183.319 -91.9107 288.124 PRESSAVG: 2217200 -25.9748 27.0213 -54.67 27.0213 76.9701 39.5134 -54.6699 39.5135 -43.9088 GPRESSAVG: 2217200 -26.2471 29.3371 -53.1286 23.7777 77.9765 40.3834 -55.3803 39.5773 -44.5387 TIMING: 2217200 CPU: 6433.18, 0.002895/step Wall: 6433.18, 0.002895/step, 2.23783 hours remaining, 206.078125 MB of memory in use. ENERGY: 2217200 674.3598 2145.3515 1964.7475 111.8640 -206299.2910 17692.6707 0.0000 0.0000 34431.7973 -149278.5002 300.7014 -183710.2975 -149177.0302 300.2075 91.6511 121.3329 555743.2036 2.3622 2.3969 PRESSURE: 2217400 -27.0481 -16.2487 -32.1049 -16.2487 -37.0756 37.4075 -32.1041 37.4069 5.55659 GPRESSURE: 2217400 64.3625 -43.9868 -38.5145 -4.73831 -0.622788 73.9651 -40.5123 -26.0748 -18.757 PRESSAVG: 2217400 -15.4279 44.6665 15.2452 44.6665 30.4734 -15.0334 15.2451 -15.0335 19.5443 GPRESSAVG: 2217400 -13.6774 44.6189 13.5484 46.8902 28.8608 -13.969 16.5949 -17.6785 20.0452 TIMING: 2217400 CPU: 6433.76, 0.00289785/step Wall: 6433.76, 0.00289785/step, 2.23988 hours remaining, 206.078125 MB of memory in use. ENERGY: 2217400 749.4620 2153.9443 1981.7487 116.7599 -206172.2117 17668.3214 0.0000 0.0000 34138.4416 -149363.5337 298.1395 -183501.9753 -149268.7448 298.7812 -19.5224 14.9942 553598.5778 11.5299 11.7429 PRESSURE: 2217600 -32.6533 -25.5996 -51.0184 -25.6007 -112.91 18.1655 -51.0185 18.1662 87.8536 GPRESSURE: 2217600 36.7105 -18.4013 -89.4008 -76.0846 -87.4876 57.8711 -48.0747 42.0136 90.969 PRESSAVG: 2217600 -86.9995 12.3283 -33.3866 12.3283 7.30721 -58.8441 -33.3866 -58.8441 37.2406 GPRESSAVG: 2217600 -86.8243 11.1372 -32.545 12.5973 6.99344 -61.3489 -35.6622 -55.0126 37.1687 TIMING: 2217600 CPU: 6434.34, 0.00288661/step Wall: 6434.34, 0.00288661/step, 2.23103 hours remaining, 206.078125 MB of memory in use. ENERGY: 2217600 732.4868 2104.6958 1973.0218 110.7651 -206189.6608 17674.1753 0.0000 0.0000 34178.4462 -149416.0698 298.4889 -183594.5160 -149317.7524 298.4623 -19.2365 13.3973 555426.2967 -14.1506 -14.2207 PRESSURE: 2217800 -55.2189 161.435 25.243 161.436 120.952 -81.2418 25.2427 -81.2412 340.77 GPRESSURE: 2217800 10.1995 61.689 23.5763 69.1896 132.532 -113.03 32.2062 -173.317 364.309 PRESSAVG: 2217800 -31.9428 -9.27748 25.357 -9.27747 12.7859 -57.6861 25.357 -57.6863 44.6577 GPRESSAVG: 2217800 -32.4098 -10.5206 24.6929 -8.18077 12.7521 -57.553 26.6115 -57.8775 45.0254 TIMING: 2217800 CPU: 6434.92, 0.00288704/step Wall: 6434.92, 0.00288704/step, 2.2312 hours remaining, 206.136719 MB of memory in use. ENERGY: 2217800 737.7170 2057.0075 1972.1601 111.9393 -206524.5002 17868.8303 0.0000 0.0000 34296.2533 -149480.5928 299.5177 -183776.8461 -149385.5767 298.6189 135.5012 169.0137 554149.9514 8.5003 8.4559 PRESSURE: 2218000 54.0197 -21.5198 84.1069 -21.5204 212.874 56.957 84.1072 56.9571 129.968 GPRESSURE: 2218000 115.128 -86.2611 63.7229 -59.8637 259.921 50.5569 70.497 82.6588 130.41 PRESSAVG: 2218000 -52.5213 -17.5381 -18.31 -17.5381 15.533 -18.636 -18.3101 -18.636 67.6917 GPRESSAVG: 2218000 -52.7224 -16.6133 -18.7259 -19.0079 15.0749 -18.5601 -18.1779 -20.7009 67.9964 TIMING: 2218000 CPU: 6435.49, 0.0028776/step Wall: 6435.49, 0.0028776/step, 2.22374 hours remaining, 206.136719 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: 2218000 748.6110 2072.7893 1977.7763 112.4768 -206864.5388 18079.2030 0.0000 0.0000 34420.6203 -149453.0620 300.6038 -183873.6823 -149349.4532 298.5916 132.2870 168.4864 554493.0931 10.2345 10.1163 PRESSURE: 2218200 305.808 15.9032 32.2152 15.9049 317.322 19.9179 32.2148 19.9174 145.653 GPRESSURE: 2218200 352.487 33.6288 29.4987 -32.4539 336.679 12.2955 92.4995 -20.5501 182.372 PRESSAVG: 2218200 4.99182 -70.8348 -26.8277 -70.8348 -15.143 -27.6835 -26.8278 -27.6834 61.2866 GPRESSAVG: 2218200 4.9767 -69.8085 -25.6703 -72.8844 -13.8691 -27.4253 -27.7925 -28.0881 59.978 TIMING: 2218200 CPU: 6436.07, 0.00289375/step Wall: 6436.07, 0.00289375/step, 2.23607 hours remaining, 206.136719 MB of memory in use. ENERGY: 2218200 680.0415 2123.0010 1969.6904 118.8074 -206488.8906 18109.0764 0.0000 0.0000 34312.0462 -149176.2277 299.6556 -183488.2740 -149086.7924 299.0305 256.2608 290.5127 555879.3629 17.0451 17.0285 PRESSURE: 2218400 172.652 -14.1083 -94.9545 -14.1072 153.41 145.709 -94.954 145.709 -1.65946 GPRESSURE: 2218400 127.074 1.36208 -196.772 25.3107 232.14 155.746 -71.9397 71.483 53.3705 PRESSAVG: 2218400 -23.7353 -48.5054 33.6821 -48.5055 25.5571 -26.2774 33.6821 -26.2775 -36.7016 GPRESSAVG: 2218400 -24.3836 -48.421 34.4728 -47.3828 26.607 -27.299 33.3067 -25.287 -37.1517 TIMING: 2218400 CPU: 6436.65, 0.00289668/step Wall: 6436.65, 0.00289668/step, 2.23816 hours remaining, 206.136719 MB of memory in use. ENERGY: 2218400 734.9409 2119.3031 1973.4701 109.2833 -206373.1385 18058.4957 0.0000 0.0000 34310.5108 -149067.1346 299.6422 -183377.6453 -148965.3550 299.1050 108.1341 137.5283 556988.1387 -11.6266 -11.6428 PRESSURE: 2218600 206.874 76.5677 -125.104 76.5676 74.7455 37.5032 -125.103 37.5028 -85.1588 GPRESSURE: 2218600 197.627 -29.7624 -80.5134 157.732 102.298 -22.5156 -166.05 -1.33631 12.9534 PRESSAVG: 2218600 14.8046 -14.998 -27.4962 -14.9981 18.2294 13.9489 -27.4962 13.9488 -5.69798 GPRESSAVG: 2218600 15.0033 -16.8599 -28.0709 -13.568 17.3093 15.3033 -28.4789 11.9635 -4.42178 TIMING: 2218600 CPU: 6437.23, 0.00292951/step Wall: 6437.23, 0.00292951/step, 2.26337 hours remaining, 206.136719 MB of memory in use. ENERGY: 2218600 747.1393 2081.9322 1959.3701 111.5617 -206050.6232 17893.6265 0.0000 0.0000 34129.5462 -149127.4473 298.0618 -183256.9935 -149032.6255 298.9153 65.4871 104.2928 558230.9839 9.1120 9.2969 PRESSURE: 2218800 -298.577 -91.5326 152.065 -91.5325 60.4825 28.0325 152.064 28.0314 31.5124 GPRESSURE: 2218800 -206.098 -24.6546 250.923 0.187527 16.2072 89.7243 89.9313 -39.9272 78.3865 PRESSAVG: 2218800 1.8721 14.0985 52.7146 14.0985 -10.5571 18.0805 52.7147 18.0805 -33.9659 GPRESSAVG: 2218800 2.28789 15.6233 53.2927 12.9533 -9.93752 18.374 54.5892 16.9804 -35.0797 TIMING: 2218800 CPU: 6437.82, 0.0029146/step Wall: 6437.82, 0.0029146/step, 2.25169 hours remaining, 206.136719 MB of memory in use. ENERGY: 2218800 749.0842 2106.9090 1946.1507 109.0603 -206012.9724 17819.2931 0.0000 0.0000 34281.0889 -149001.3863 299.3853 -183282.4752 -148908.9483 298.7023 -68.8608 -37.1680 558487.1031 -14.2170 -14.2431 PRESSURE: 2219000 -212.774 53.8785 126.11 53.8787 16.3052 147.581 126.109 147.582 133.443 GPRESSURE: 2219000 -174.33 16.7543 91.4468 154.142 -5.92428 164.861 188.565 125.016 210.846 PRESSAVG: 2219000 -19.8201 13.2983 26.8314 13.2984 -9.69407 10.904 26.8314 10.904 16.4368 GPRESSAVG: 2219000 -19.4497 10.8143 26.7965 14.7632 -9.99 10.0093 25.5975 13.6007 16.624 TIMING: 2219000 CPU: 6438.4, 0.0029217/step Wall: 6438.4, 0.0029217/step, 2.25701 hours remaining, 206.136719 MB of memory in use. ENERGY: 2219000 734.3418 2068.8114 1973.2392 113.4305 -206204.3395 17937.8742 0.0000 0.0000 34323.3435 -149053.2990 299.7543 -183376.6425 -148955.1411 298.9588 -21.0086 10.1973 557865.4050 -4.3591 -4.2719 PRESSURE: 2219200 -163.934 70.194 120.959 70.1943 -159.98 -77.1193 120.96 -77.1191 -317.308 GPRESSURE: 2219200 -160.645 34.7857 200.352 52.4993 -63.5281 -19.3835 25.8854 -65.9977 -308.582 PRESSAVG: 2219200 -25.0402 22.7758 18.8538 22.7759 26.0542 25.2667 18.8537 25.2667 -24.602 GPRESSAVG: 2219200 -26.1776 24.459 17.4963 21.5793 26.0216 24.6617 19.0139 25.2543 -23.469 TIMING: 2219200 CPU: 6438.98, 0.00291478/step Wall: 6438.98, 0.00291478/step, 2.2515 hours remaining, 206.136719 MB of memory in use. ENERGY: 2219200 738.4607 2118.1188 1965.0436 124.0356 -205898.1322 17454.5961 0.0000 0.0000 34352.5877 -149145.2897 300.0097 -183497.8774 -149037.3792 299.5109 -213.7407 -177.5851 558006.4719 -7.8627 -7.8750 PRESSURE: 2219400 108.922 215.438 -51.8606 215.439 49.2967 -30.7628 -51.861 -30.7642 -249.908 GPRESSURE: 2219400 128.126 176.337 3.71204 226.095 83.1619 29.5144 -58.3511 -101.116 -195.709 PRESSAVG: 2219400 -5.68135 67.9918 28.3624 67.9917 -19.1833 17.3116 28.3623 17.3114 -31.3961 GPRESSAVG: 2219400 -5.35462 66.2097 28.3601 67.9852 -20.309 19.5104 26.7266 16.85 -30.6253 TIMING: 2219400 CPU: 6439.57, 0.00291464/step Wall: 6439.57, 0.00291464/step, 2.25124 hours remaining, 206.136719 MB of memory in use. ENERGY: 2219400 747.8412 2042.0408 1944.9876 111.7928 -205902.9236 17746.1657 0.0000 0.0000 34212.5036 -149097.5919 298.7863 -183310.0955 -149000.1105 298.7806 -30.5631 5.1929 557845.4838 -18.7536 -18.7630 PRESSURE: 2219600 66.3774 -91.3793 -15.379 -91.3798 -282.811 61.8906 -15.3776 61.8911 -7.41531 GPRESSURE: 2219600 116.072 -191.712 31.073 -44.4425 -295.614 77.6838 -63.8754 8.39734 46.4135 PRESSAVG: 2219600 16.2848 5.62439 -50.7477 5.62435 3.52009 21.9064 -50.7478 21.9064 -27.2812 GPRESSAVG: 2219600 15.7903 6.65398 -52.4466 7.25496 4.21417 22.0855 -49.5789 21.5483 -27.6343 TIMING: 2219600 CPU: 6440.15, 0.00289544/step Wall: 6440.15, 0.00289544/step, 2.23624 hours remaining, 206.136719 MB of memory in use. ENERGY: 2219600 759.8123 2068.7765 1962.4612 114.6984 -205816.9054 17739.4991 0.0000 0.0000 34125.3916 -149046.2663 298.0255 -183171.6579 -148958.5713 299.3219 -74.6162 -44.3761 557836.7847 -2.4921 -2.5433 PRESSURE: 2219800 261.688 -70.0829 -68.8763 -70.0832 153.946 71.3258 -68.8764 71.3255 153.666 GPRESSURE: 2219800 309.787 -65.3541 -82.8908 50.6621 181.962 90.5839 -14.3422 67.0191 177.669 PRESSAVG: 2219800 0.478814 -35.4064 -1.27072 -35.4063 -30.4769 -14.2244 -1.27076 -14.2244 72.3085 GPRESSAVG: 2219800 1.75798 -34.1614 -0.0128105 -35.5758 -30.9184 -14.5336 -0.128181 -13.8772 71.3404 TIMING: 2219800 CPU: 6440.73, 0.00289872/step Wall: 6440.73, 0.00289872/step, 2.23862 hours remaining, 206.136719 MB of memory in use. ENERGY: 2219800 703.8829 2074.7922 1976.0097 126.9793 -206383.9888 18091.6026 0.0000 0.0000 34169.4085 -149241.3138 298.4099 -183410.7222 -149145.5693 299.5942 189.7667 223.1394 557660.9693 14.1035 14.0600 PRESSURE: 2220000 -174.961 -95.5876 231.662 -95.5883 -188.316 -22.053 231.662 -22.0535 -188.981 GPRESSURE: 2220000 -113.94 -95.3846 256.814 -27.4532 -156.417 -88.7933 173.115 -4.48264 -190.767 PRESSAVG: 2220000 -0.646755 25.4459 -89.6779 25.4459 -41.1381 3.91506 -89.6778 3.91516 80.0978 GPRESSAVG: 2220000 -0.17063 26.7643 -88.578 21.9553 -42.0149 4.1944 -90.9685 3.44554 80.2942 TIMING: 2220000 CPU: 6441.31, 0.00289658/step Wall: 6441.31, 0.00289658/step, 2.23681 hours remaining, 206.136719 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: 2220000 796.4972 2090.3382 1988.3179 112.9795 -206139.1282 17674.1329 0.0000 0.0000 34175.3669 -149301.4958 298.4620 -183476.8626 -149206.8244 298.6605 -184.0858 -153.7081 558280.6883 12.7710 12.7029 PRESSURE: 2220200 -249.952 -35.0074 -54.1759 -35.0079 -214.189 -10.629 -54.1755 -10.6301 -140.579 GPRESSURE: 2220200 -196.866 -3.87817 -91.3325 -55.2772 -181.693 -2.89629 39.8593 30.4165 -124.354 PRESSAVG: 2220200 -46.2475 20.1729 -39.621 20.1729 0.362709 -64.3824 -39.621 -64.3824 10.3345 GPRESSAVG: 2220200 -46.3373 19.721 -39.9952 21.2738 -0.0268712 -66.3308 -39.5357 -63.5671 11.129 TIMING: 2220200 CPU: 6441.89, 0.00290518/step Wall: 6441.89, 0.00290518/step, 2.24328 hours remaining, 206.136719 MB of memory in use. ENERGY: 2220200 725.4222 2089.4659 1961.2339 124.8334 -206022.9769 17508.5282 0.0000 0.0000 34487.4608 -149126.0325 301.1876 -183613.4933 -149026.7627 298.5694 -201.5734 -167.6376 558977.5273 -11.8501 -11.7450 LDB: ============= START OF LOAD BALANCING ============== 6445.35 LDB: ============== END OF LOAD BALANCING =============== 6445.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6445.36 LDB: ============= START OF LOAD BALANCING ============== 6445.65 LDB: Largest compute 4821 load 0.031891 is 27.1% of average load 0.117717 LDB: Average compute 0.001732 is 1.5% of average load 0.117717 LDB: TIME 6445.65 LOAD: AVG 0.117717 MAX 0.177324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6445.65 LOAD: AVG 0.117717 MAX 0.177324 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 6445.65 LOAD: AVG 0.117717 MAX 0.177324 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: ============== END OF LOAD BALANCING =============== 6445.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6445.66 PRESSURE: 2220400 -175.605 -94.527 55.9144 -94.5268 -192.696 88.1332 55.9143 88.1346 -343.853 GPRESSURE: 2220400 -125.983 -89.0495 2.36921 -115.307 -187.026 120.561 35.1083 74.878 -308.428 PRESSAVG: 2220400 -1.11871 -70.931 -58.1438 -70.931 -27.457 -24.331 -58.1439 -24.331 54.7146 GPRESSAVG: 2220400 -1.90795 -71.5017 -59.685 -69.1603 -26.9279 -24.4742 -56.369 -24.9 54.8952 TIMING: 2220400 CPU: 6442.48, 0.00296674/step Wall: 6442.48, 0.00296674/step, 2.29065 hours remaining, 208.187500 MB of memory in use. ENERGY: 2220400 764.4078 2102.3493 1969.1154 114.8375 -206081.8627 17626.9215 0.0000 0.0000 34385.9184 -149118.3128 300.3008 -183504.2313 -149023.6580 299.8217 -237.3846 -207.1459 558996.2027 8.7129 8.6865 PRESSURE: 2220600 -175.934 -25.0797 -118.814 -25.0795 19.2121 74.4192 -118.815 74.4164 -28.7277 GPRESSURE: 2220600 -165.029 -38.9105 -85.2246 -0.681998 56.4429 10.8347 -138.591 77.8145 22.663 PRESSAVG: 2220600 -3.08454 13.1643 -93.2287 13.1644 -3.96653 -28.8577 -93.2287 -28.8576 48.1751 GPRESSAVG: 2220600 -2.98822 12.7036 -91.0258 13.7402 -3.60366 -28.2247 -95.4888 -28.3131 47.3826 TIMING: 2220600 CPU: 6443.06, 0.00287376/step Wall: 6443.06, 0.00287376/step, 2.2187 hours remaining, 208.390625 MB of memory in use. ENERGY: 2220600 722.6516 2082.3840 1980.8755 121.5004 -206049.3555 17742.9439 0.0000 0.0000 34261.1815 -149137.8186 299.2114 -183399.0000 -149049.1191 299.7153 -61.8165 -28.6412 556732.7327 13.7080 13.5969 PRESSURE: 2220800 -204.707 -78.5087 -156.807 -78.5081 -444.714 -78.3606 -156.808 -78.3612 -146.9 GPRESSURE: 2220800 -172.453 -53.5942 -98.813 -73.6507 -360.164 -15.6052 -111.73 -49.0264 -158.672 PRESSAVG: 2220800 -5.43749 15.7303 -22.1676 15.7302 -38.1088 20.3703 -22.1675 20.3703 14.3026 GPRESSAVG: 2220800 -5.9518 14.5864 -22.2199 14.5774 -38.3929 21.7679 -20.893 19.0577 14.4561 TIMING: 2220800 CPU: 6443.63, 0.00289017/step Wall: 6443.63, 0.00289017/step, 2.23121 hours remaining, 208.390625 MB of memory in use. ENERGY: 2220800 752.0810 2091.7092 1957.7567 123.3065 -205563.6240 17208.5493 0.0000 0.0000 34192.8069 -149237.4144 298.6143 -183430.2213 -149136.5130 299.4045 -265.4401 -230.4296 557138.9747 -9.7479 -9.9629 PRESSURE: 2221000 -134.533 -116.777 98.7568 -116.777 239.102 63.1941 98.7568 63.1939 219.162 GPRESSURE: 2221000 -77.3223 -89.1133 57.5872 -101.757 281.573 53.267 76.0086 24.73 204.42 PRESSAVG: 2221000 51.3333 11.9285 5.61932 11.9285 -39.2705 -7.17703 5.61935 -7.17702 2.83318 GPRESSAVG: 2221000 52.2122 12.5185 6.34642 12.7161 -40.1972 -7.75564 5.84854 -5.48429 2.26226 TIMING: 2221000 CPU: 6444.21, 0.00288249/step Wall: 6444.21, 0.00288249/step, 2.22512 hours remaining, 208.390625 MB of memory in use. ENERGY: 2221000 759.9463 2083.5308 1986.9929 113.7375 -206449.4626 17822.2943 0.0000 0.0000 34313.8553 -149369.1053 299.6714 -183682.9607 -149278.2403 298.2228 107.9104 136.2236 554735.4107 4.9653 4.7591 PRESSURE: 2221200 27.5012 10.3162 -70.4626 10.3157 -128.195 84.1343 -70.4624 84.1334 -39.6096 GPRESSURE: 2221200 37.4073 72.7579 -19.9073 -63.8216 -96.5903 68.5331 -95.7353 16.9943 9.39632 PRESSAVG: 2221200 4.01752 -15.6513 6.1598 -15.6512 -11.2485 1.3859 6.15987 1.3858 -28.9787 GPRESSAVG: 2221200 3.42768 -15.2076 6.96827 -18.2262 -9.43936 0.930247 5.64074 1.67985 -29.8158 TIMING: 2221200 CPU: 6444.78, 0.00287115/step Wall: 6444.78, 0.00287114/step, 2.2162 hours remaining, 208.390625 MB of memory in use. ENERGY: 2221200 709.2852 2080.0803 1979.1746 108.6690 -206139.8194 17630.8929 0.0000 0.0000 34053.4171 -149578.3005 297.3970 -183631.7175 -149483.1623 298.9829 -46.7677 -16.5956 556518.6348 -12.0699 -11.9425 PRESSURE: 2221400 -64.6922 119.873 36.7761 119.874 -23.6645 17.2668 36.7761 17.2658 123.322 GPRESSURE: 2221400 -11.8565 136.136 -64.8411 17.1429 -33.2226 -6.02667 85.1199 -8.56774 190.816 PRESSAVG: 2221400 -4.84556 -23.526 8.56721 -23.526 -72.519 15.1339 8.56722 15.1339 100.711 GPRESSAVG: 2221400 -4.91868 -24.9797 5.70671 -22.1354 -72.8039 13.7316 11.2007 15.703 101.345 TIMING: 2221400 CPU: 6445.36, 0.00287173/step Wall: 6445.36, 0.00287173/step, 2.2165 hours remaining, 208.390625 MB of memory in use. ENERGY: 2221400 721.1512 2134.4842 1977.9063 109.6636 -206048.9636 17631.4110 0.0000 0.0000 34121.9483 -149352.3990 297.9955 -183474.3472 -149253.0902 298.8684 11.6553 48.5791 554803.1873 7.7821 7.8740 PRESSURE: 2221600 -61.1444 -30.7208 103.25 -30.7199 -132.745 -38.4456 103.251 -38.4456 -360.076 GPRESSURE: 2221600 -52.5735 41.8413 181.25 -43.9281 -138.392 -102.679 66.0394 33.1592 -265.54 PRESSAVG: 2221600 40.4569 -11.4886 48.0869 -11.4887 -46.3109 -7.31376 48.0868 -7.31378 2.17251 GPRESSAVG: 2221600 39.5785 -8.17531 50.5102 -12.4738 -46.9491 -2.67983 45.603 -9.17502 3.55031 TIMING: 2221600 CPU: 6445.94, 0.00288988/step Wall: 6445.94, 0.00288988/step, 2.23035 hours remaining, 208.390625 MB of memory in use. ENERGY: 2221600 767.0557 2089.4182 1968.4078 113.0083 -206132.6844 17476.3778 0.0000 0.0000 34283.0309 -149435.3857 299.4022 -183718.4166 -149330.7955 298.8243 -184.6549 -152.1684 556789.2371 -1.2271 -1.2734 PRESSURE: 2221800 142.627 178.091 -29.0308 178.091 -173.133 36.0489 -29.0295 36.0485 -52.496 GPRESSURE: 2221800 171.797 84.0591 -44.1622 212.803 -121.498 29.014 64.0902 47.6617 -29.8282 PRESSAVG: 2221800 -7.46296 -15.8711 27.6156 -15.8712 3.14569 -17.4794 27.6157 -17.4794 -29.0085 GPRESSAVG: 2221800 -7.19725 -18.0419 26.0839 -14.7371 3.01689 -20.3158 28.0164 -17.3458 -29.5082 TIMING: 2221800 CPU: 6446.52, 0.00292164/step Wall: 6446.52, 0.00292164/step, 2.25469 hours remaining, 208.390625 MB of memory in use. ENERGY: 2221800 750.3517 2057.8348 1972.9266 99.2972 -206284.3173 17762.6224 0.0000 0.0000 34046.1541 -149595.1305 297.3335 -183641.2846 -149499.1888 298.1892 -27.6675 6.8236 555535.5280 -11.1086 -11.2295 PRESSURE: 2222000 -392.748 1.58418 -66.6549 1.58315 -332.622 130.706 -66.655 130.707 -193.455 GPRESSURE: 2222000 -350.24 -19.1846 2.7609 -56.3285 -248.296 235.922 -61.8704 114.305 -212.405 PRESSAVG: 2222000 -3.85272 -2.86854 -32.6693 -2.86856 -35.8163 9.46048 -32.6695 9.46048 -3.92453 GPRESSAVG: 2222000 -4.07777 -2.04916 -32.0133 -3.8282 -34.4429 9.006 -32.8607 11.5953 -4.75441 TIMING: 2222000 CPU: 6447.1, 0.0029065/step Wall: 6447.1, 0.0029065/step, 2.24285 hours remaining, 208.390625 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: 2222000 784.0347 2064.3030 1949.0331 115.6364 -206069.4078 17456.5908 0.0000 0.0000 34145.1715 -149554.6384 298.1983 -183699.8099 -149461.8273 298.0846 -306.2751 -270.3139 557359.2202 -14.5312 -14.4250 PRESSURE: 2222200 -70.4412 -20.5318 -60.5835 -20.5315 65.683 60.8895 -60.5835 60.8883 -3.46862 GPRESSURE: 2222200 -65.8846 2.14341 -45.4074 8.64575 69.2325 37.0215 -125.998 88.3319 80.1842 PRESSAVG: 2222200 0.333955 -19.3453 10.3266 -19.3453 -31.0399 7.95097 10.3266 7.95109 42.3413 GPRESSAVG: 2222200 0.609824 -21.6928 10.2018 -17.109 -32.203 8.9375 11.5477 6.13768 43.0701 TIMING: 2222200 CPU: 6447.68, 0.00290255/step Wall: 6447.68, 0.00290255/step, 2.23964 hours remaining, 208.390625 MB of memory in use. ENERGY: 2222200 720.2072 2114.7048 1968.7745 109.7354 -206273.4960 17798.5981 0.0000 0.0000 34166.3012 -149395.1747 298.3828 -183561.4759 -149292.8657 298.5370 -2.7423 27.8440 557321.4189 3.8785 3.8256 PRESSURE: 2222400 -513.99 -66.1997 -54.0148 -66.2003 -66.0629 70.0422 -54.0159 70.0429 -152.695 GPRESSURE: 2222400 -512.115 -27.8315 -44.9124 -79.8042 -52.3148 93.5926 -7.46568 10.6866 -81.3707 PRESSAVG: 2222400 34.1703 2.6019 12.3095 2.60184 6.16281 48.899 12.3096 48.899 -15.3002 GPRESSAVG: 2222400 34.388 3.09551 12.0365 1.94373 6.13219 47.6308 12.5252 48.2605 -15.3123 TIMING: 2222400 CPU: 6448.26, 0.0028917/step Wall: 6448.26, 0.0028917/step, 2.2311 hours remaining, 208.390625 MB of memory in use. ENERGY: 2222400 794.6989 2060.0114 1955.8538 114.2488 -205965.5314 17545.9108 0.0000 0.0000 34348.3837 -149146.4240 299.9730 -183494.8077 -149048.7560 299.2564 -244.2493 -215.2670 558807.4996 8.3443 8.4026 PRESSURE: 2222600 -234.239 119.661 134.134 119.661 -253.171 27.1812 134.134 27.1807 -130.286 GPRESSURE: 2222600 -195.773 134.493 48.0395 33.323 -178.078 -1.77504 130.228 87.9661 -146.823 PRESSAVG: 2222600 -86.3211 30.1365 10.5619 30.1365 52.8891 -16.7152 10.562 -16.7153 58.0237 GPRESSAVG: 2222600 -87.0831 30.7909 10.5481 30.4886 53.5994 -16.7406 8.59508 -15.2079 57.8655 TIMING: 2222600 CPU: 6448.84, 0.00289305/step Wall: 6448.84, 0.00289305/step, 2.23199 hours remaining, 208.390625 MB of memory in use. ENERGY: 2222600 789.9007 2064.9043 1949.4154 121.9629 -206328.8236 17645.9414 0.0000 0.0000 34646.3893 -149110.3096 302.5755 -183756.6989 -149014.5001 299.4637 -205.8989 -173.5580 556915.9227 8.1973 8.1273 PRESSURE: 2222800 -75.1299 -76.2747 20.5217 -76.274 -51.3066 -83.6164 20.5223 -83.6156 246.108 GPRESSURE: 2222800 -22.3262 -138.288 39.0901 -25.3936 -57.967 -64.7792 -10.9385 -67.5261 309.506 PRESSAVG: 2222800 0.127851 -0.109083 21.4863 -0.108974 -130.227 -45.8669 21.4865 -45.8668 75.0446 GPRESSAVG: 2222800 1.05725 0.694737 23.3861 -1.05138 -130.366 -46.5375 22.273 -45.2108 74.6613 TIMING: 2222800 CPU: 6449.42, 0.00292059/step Wall: 6449.42, 0.00292059/step, 2.25307 hours remaining, 208.390625 MB of memory in use. ENERGY: 2222800 762.5886 2091.8716 1954.1537 113.7256 -206257.6968 17885.8747 0.0000 0.0000 34284.5734 -149164.9092 299.4157 -183449.4826 -149071.2461 299.3977 39.8904 76.4041 556544.7442 -18.3514 -18.2158 PRESSURE: 2223000 -104.995 -24.4624 -85.2195 -24.4616 -310.249 -98.0027 -85.2197 -98.0009 209.424 GPRESSURE: 2223000 -46.0841 24.4426 -67.9533 -60.7829 -256.213 -63.9048 -151.768 -90.911 204.37 PRESSAVG: 2223000 55.9884 -36.0778 -3.4098 -36.0778 -80.9891 25.275 -3.40978 25.275 12.5508 GPRESSAVG: 2223000 55.818 -38.7188 -4.2753 -35.4332 -80.6296 26.3289 -3.42577 23.3136 12.2824 TIMING: 2223000 CPU: 6450, 0.00289838/step Wall: 6450, 0.00289838/step, 2.23578 hours remaining, 208.390625 MB of memory in use. ENERGY: 2223000 758.7770 2059.4005 1957.7515 113.4963 -206101.3114 17680.1280 0.0000 0.0000 34198.0355 -149333.7226 298.6599 -183531.7580 -149229.3253 299.2518 -68.6067 -32.6425 558324.4979 -4.1500 -4.1764 PRESSURE: 2223200 401.399 -57.3443 -64.339 -57.3464 -81.5523 43.4071 -64.3384 43.4085 90.7133 GPRESSURE: 2223200 401.689 -39.7671 -79.4745 -40.9506 -65.6309 52.5949 17.2842 65.9944 164.903 PRESSAVG: 2223200 13.5273 13.2934 -5.60879 13.2934 -39.2305 -19.8528 -5.60872 -19.8528 27.446 GPRESSAVG: 2223200 13.9935 16.7182 -4.42404 11.0013 -39.8861 -19.0213 -6.29063 -19.6542 27.7711 TIMING: 2223200 CPU: 6450.58, 0.00289054/step Wall: 6450.58, 0.00289054/step, 2.22957 hours remaining, 208.390625 MB of memory in use. ENERGY: 2223200 759.9612 2149.9753 1981.4576 115.9395 -206246.0577 17899.8226 0.0000 0.0000 34138.0388 -149200.8627 298.1360 -183338.9016 -149106.2379 299.0273 136.8535 166.9872 556883.8722 0.5809 0.6262 PRESSURE: 2223400 310.905 109.424 -40.7086 109.424 103.425 29.4738 -40.7083 29.4751 142.933 GPRESSURE: 2223400 366.911 119.47 42.2611 147.691 74.6189 -94.4832 -42.2843 66.8945 213.943 PRESSAVG: 2223400 13.5406 12.2385 -27.5793 12.2384 66.8686 45.8068 -27.5793 45.8068 -20.2822 GPRESSAVG: 2223400 12.3866 10.3249 -29.9866 15.6549 66.8059 48.0706 -26.872 44.9868 -19.5175 TIMING: 2223400 CPU: 6451.16, 0.00289628/step Wall: 6451.16, 0.00289628/step, 2.23384 hours remaining, 208.390625 MB of memory in use. ENERGY: 2223400 746.7707 2119.8790 1999.1515 118.1517 -206804.6253 18198.5194 0.0000 0.0000 34141.5480 -149480.6049 298.1666 -183622.1530 -149388.6055 299.0112 185.7542 218.4909 555722.1301 20.0423 19.8917 PRESSURE: 2223600 75.8845 166.108 122.944 166.11 13.321 31.4887 122.945 31.4898 72.1774 GPRESSURE: 2223600 133.2 149.453 104.541 127.559 10.6772 63.3656 127.008 57.8166 125.866 PRESSAVG: 2223600 10.0643 48.0596 -34.8407 48.0598 -8.19675 8.74586 -34.8406 8.74582 -36.4153 GPRESSAVG: 2223600 10.8454 48.8856 -34.2511 47.1159 -7.92344 6.93135 -35.9428 9.89956 -37.4315 TIMING: 2223600 CPU: 6451.74, 0.00291851/step Wall: 6451.74, 0.00291851/step, 2.25082 hours remaining, 208.390625 MB of memory in use. ENERGY: 2223600 761.2244 2091.5172 1999.6270 121.4852 -206561.6829 18071.5850 0.0000 0.0000 33982.9222 -149533.3220 296.7813 -183516.2442 -149436.4889 298.0913 53.7943 89.9142 556983.9735 -11.5159 -11.5032 PRESSURE: 2223800 33.2331 21.4772 68.2513 21.4784 -99.5646 71.8839 68.2504 71.8845 -44.6208 GPRESSURE: 2223800 60.6209 100.973 55.6607 4.63309 -78.2233 125.745 129.931 -4.08004 -8.37732 PRESSAVG: 2223800 5.31627 -59.4788 -49.0041 -59.4788 33.9434 -3.28597 -49.0042 -3.28587 -39.4884 GPRESSAVG: 2223800 5.01054 -58.6769 -49.6578 -59.8202 33.3453 -3.50421 -47.745 -2.62781 -38.5504 TIMING: 2223800 CPU: 6452.33, 0.002912/step Wall: 6452.33, 0.002912/step, 2.24564 hours remaining, 208.390625 MB of memory in use. ENERGY: 2223800 737.4009 2073.3927 1981.2126 120.0969 -206147.2756 17811.5916 0.0000 0.0000 34153.9037 -149269.6772 298.2745 -183423.5809 -149175.4282 298.8140 -36.9841 -8.6599 556988.8086 -0.0763 -0.0649 PRESSURE: 2224000 54.4322 -146.687 150.842 -146.688 115.291 -149.988 150.841 -149.986 -36.0428 GPRESSURE: 2224000 106.217 -110.69 171.685 -115.989 148.697 -102.544 156.919 -144.74 -1.72425 PRESSAVG: 2224000 8.28114 -9.11385 34.1298 -9.11378 -0.925607 -1.76013 34.1298 -1.76006 -18.4819 GPRESSAVG: 2224000 8.80078 -9.73788 36.8422 -9.2483 0.15689 -2.44079 31.9731 -2.51662 -20.0044 TIMING: 2224000 CPU: 6452.91, 0.00291221/step Wall: 6452.91, 0.00291221/step, 2.24564 hours remaining, 208.390625 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: 2224000 773.7922 2062.2154 1971.9168 106.4417 -206207.4741 17898.2276 0.0000 0.0000 34157.6649 -149237.2155 298.3074 -183394.8804 -149140.2740 299.5169 44.5602 84.3967 555606.8234 -3.7088 -3.6822 PRESSURE: 2224200 -104.545 140.986 24.3706 140.987 -77.764 59.8004 24.3709 59.7995 40.6041 GPRESSURE: 2224200 -139.304 178.78 54.787 138.228 7.59979 109.769 -17.8082 45.1765 89.0444 PRESSAVG: 2224200 -13.8709 -14.4173 3.00254 -14.4174 24.2383 0.879896 3.00256 0.88003 -8.54596 GPRESSAVG: 2224200 -15.1184 -14.3206 0.0153633 -14.209 23.7389 1.89123 3.86061 1.66475 -7.33487 TIMING: 2224200 CPU: 6453.49, 0.00291738/step Wall: 6453.49, 0.00291738/step, 2.24946 hours remaining, 208.390625 MB of memory in use. ENERGY: 2224200 708.5496 2129.1039 1960.5731 115.8885 -206098.1681 17613.0319 0.0000 0.0000 34384.2396 -149186.7815 300.2861 -183571.0211 -149094.3175 299.5376 -47.2351 -14.2200 557974.4935 0.6072 0.4285 LDB: ============= START OF LOAD BALANCING ============== 6456.96 LDB: ============== END OF LOAD BALANCING =============== 6456.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6456.96 LDB: ============= START OF LOAD BALANCING ============== 6457.25 LDB: Largest compute 4821 load 0.030414 is 25.8% of average load 0.117745 LDB: Average compute 0.001726 is 1.5% of average load 0.117745 LDB: TIME 6457.25 LOAD: AVG 0.117745 MAX 0.177063 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.133 MB LDB: TIME 6457.25 LOAD: AVG 0.117745 MAX 0.177063 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: TIME 6457.25 LOAD: AVG 0.117745 MAX 0.177063 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6457.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6457.26 PRESSURE: 2224400 -143.568 -8.27395 134.246 -8.27383 92.4674 -58.5904 134.247 -58.5907 -310.841 GPRESSURE: 2224400 -133.979 -63.9412 151.307 -76.3109 104.572 -32.4638 136.072 -114.039 -227.741 PRESSAVG: 2224400 -37.262 6.63426 1.03987 6.63425 19.4927 -34.7116 1.03985 -34.7116 63.8888 GPRESSAVG: 2224400 -36.0999 7.03729 2.83902 4.20884 18.586 -37.5513 -0.230113 -34.6596 64.3179 TIMING: 2224400 CPU: 6454.09, 0.0029649/step Wall: 6454.09, 0.0029649/step, 2.28593 hours remaining, 206.187500 MB of memory in use. ENERGY: 2224400 729.7546 2075.4737 1965.2263 114.2925 -206217.1796 17695.7028 0.0000 0.0000 34330.8331 -149305.8966 299.8197 -183636.7297 -149213.1229 299.4561 -120.6473 -85.7156 557565.4911 15.3732 15.6014 PRESSURE: 2224600 -152.607 -125.801 34.689 -125.801 -108.766 -42.2409 34.6887 -42.2414 134.693 GPRESSURE: 2224600 -157.276 -111.163 23.7186 -80.5447 -49.2311 -81.697 103.384 51.6591 172.476 PRESSAVG: 2224600 -50.42 -64.1843 -11.4789 -64.1843 11.9166 -16.2098 -11.4788 -16.2099 -30.0406 GPRESSAVG: 2224600 -50.9548 -65.5225 -13.0371 -60.8513 14.0903 -14.3567 -12.3061 -15.6137 -31.5545 TIMING: 2224600 CPU: 6454.67, 0.00291347/step Wall: 6454.67, 0.00291347/step, 2.24612 hours remaining, 206.332031 MB of memory in use. ENERGY: 2224600 754.3040 2062.8094 1973.3551 102.2721 -206167.2074 17838.5101 0.0000 0.0000 34063.9107 -149372.0461 297.4886 -183435.9568 -149274.9651 298.4555 -42.2267 -11.3434 558415.3556 -22.8480 -22.8063 PRESSURE: 2224800 79.3611 -49.0483 31.7856 -49.048 107.358 130.298 31.7861 130.3 13.4239 GPRESSURE: 2224800 94.0801 -163.004 45.4632 -21.0719 89.5313 84.4603 -26.7971 143.903 114.493 PRESSAVG: 2224800 7.2243 -32.9297 -27.5826 -32.9296 -48.6778 6.12909 -27.5826 6.1292 43.8214 GPRESSAVG: 2224800 7.33706 -34.7878 -25.1866 -32.6427 -48.9332 6.23425 -26.5154 4.34466 44.3186 TIMING: 2224800 CPU: 6455.25, 0.00290667/step Wall: 6455.25, 0.00290667/step, 2.24072 hours remaining, 206.332031 MB of memory in use. ENERGY: 2224800 719.1046 2102.2311 1980.9786 114.1732 -206254.7786 17742.6799 0.0000 0.0000 34182.1239 -149413.4872 298.5210 -183595.6111 -149325.0804 298.4815 66.7144 99.3681 554648.2553 0.7893 0.9075 PRESSURE: 2225000 9.48246 -24.0096 -90.0782 -24.01 46.7347 41.6157 -90.0775 41.616 -60.7032 GPRESSURE: 2225000 87.5831 -108.645 19.1899 47.667 61.1576 -13.5219 -154.434 115.176 -58.9878 PRESSAVG: 2225000 3.36606 -19.3728 -26.1283 -19.3728 -10.2583 -2.07241 -26.1283 -2.0725 7.41566 GPRESSAVG: 2225000 4.65669 -17.3212 -26.5151 -20.5947 -11.0483 -0.30489 -25.7935 -0.573828 6.98133 TIMING: 2225000 CPU: 6455.83, 0.00290662/step Wall: 6455.83, 0.00290662/step, 2.24052 hours remaining, 206.332031 MB of memory in use. ENERGY: 2225000 704.2286 2036.4344 1961.4377 112.6223 -206592.5700 17854.0355 0.0000 0.0000 34501.9187 -149421.8928 301.3138 -183923.8114 -149323.9777 298.1031 -1.4954 29.9176 555157.0987 0.1745 0.1966 PRESSURE: 2225200 235.312 144.439 60.5568 144.438 -140.875 16.1965 60.5583 16.1963 59.0138 GPRESSURE: 2225200 237.668 138.932 18.5871 117.513 -143.826 -55.9843 89.9411 35.1624 158.863 PRESSAVG: 2225200 12.8951 20.8141 -47.1957 20.8141 -84.7649 25.5165 -47.1958 25.5165 82.8624 GPRESSAVG: 2225200 12.9279 21.5403 -48.6255 20.7551 -85.279 23.1944 -46.3416 26.5916 82.9981 TIMING: 2225200 CPU: 6456.41, 0.0029075/step Wall: 6456.41, 0.0029075/step, 2.24104 hours remaining, 206.332031 MB of memory in use. ENERGY: 2225200 793.0413 2064.1799 1951.3470 117.7449 -206571.9710 18111.8399 0.0000 0.0000 34022.0534 -149511.7647 297.1231 -183533.8181 -149422.5124 298.5565 51.1504 84.2349 556082.4249 3.6642 3.5490 PRESSURE: 2225400 -133.796 -8.07614 26.6874 -8.07732 -15.4358 74.0629 26.6877 74.0631 -3.73732 GPRESSURE: 2225400 -93.4165 1.00095 70.835 -2.56045 42.4641 83.668 -14.757 66.3817 -8.75792 PRESSAVG: 2225400 4.66062 13.1021 -10.6481 13.1022 -15.7057 6.63082 -10.6481 6.63087 24.5663 GPRESSAVG: 2225400 4.47174 13.6267 -10.8822 12.2256 -15.9171 8.25669 -11.8371 2.92709 24.8254 TIMING: 2225400 CPU: 6456.99, 0.00289536/step Wall: 6456.99, 0.00289536/step, 2.23152 hours remaining, 206.332031 MB of memory in use. ENERGY: 2225400 725.3526 2027.3271 1967.7704 119.8320 -206354.5513 17687.0871 0.0000 0.0000 34333.0666 -149494.1154 299.8392 -183827.1821 -149397.9644 298.6108 -50.9896 -19.9034 558534.3956 4.5071 4.4600 PRESSURE: 2225600 -234.753 -164.041 100.155 -164.04 81.6839 -43.4189 100.154 -43.4174 113.303 GPRESSURE: 2225600 -179.71 -132.653 59.8886 -215.174 101.847 23.5396 163.686 -44.8842 139.57 PRESSAVG: 2225600 -36.8916 16.7627 60.6633 16.7627 12.1316 4.24226 60.6633 4.24224 -17.2633 GPRESSAVG: 2225600 -36.5 17.8245 59.6965 16.3106 12.6749 2.71813 60.5901 5.49037 -18.2223 TIMING: 2225600 CPU: 6457.57, 0.00289979/step Wall: 6457.57, 0.00289979/step, 2.23477 hours remaining, 206.332031 MB of memory in use. ENERGY: 2225600 719.4697 2061.9797 1978.8526 107.5624 -206225.9184 17731.6438 0.0000 0.0000 34289.7480 -149336.6621 299.4609 -183626.4101 -149236.2253 298.3692 -13.2554 20.5688 557277.8502 -14.0078 -14.0158 PRESSURE: 2225800 -107.372 122.981 11.0708 122.981 -19.8919 -0.83544 11.0713 -0.83615 -202.501 GPRESSURE: 2225800 -130.065 229.385 38.1793 101.976 37.2724 6.73732 -39.1574 7.84492 -133.198 PRESSAVG: 2225800 42.2221 -18.6084 -5.67752 -18.6083 -19.4967 -37.4409 -5.6775 -37.4409 -10.9803 GPRESSAVG: 2225800 42.6174 -19.0654 -4.20158 -16.5266 -20.1038 -36.6792 -3.9235 -37.1828 -10.6648 TIMING: 2225800 CPU: 6458.16, 0.00291869/step Wall: 6458.16, 0.00291869/step, 2.24918 hours remaining, 206.332031 MB of memory in use. ENERGY: 2225800 734.0104 2051.0712 2012.1040 122.3514 -206267.9865 17810.8423 0.0000 0.0000 34034.9937 -149502.6135 297.2361 -183537.6072 -149403.8499 298.6248 -109.9217 -75.3304 557592.3595 3.9150 3.9496 PRESSURE: 2226000 -43.1519 118.131 -0.351208 118.13 58.8975 -8.88605 -0.351781 -8.8849 -50.3686 GPRESSURE: 2226000 -52.6722 88.9643 43.4698 140.106 99.3563 -96.6984 15.3992 -30.828 32.8242 PRESSAVG: 2226000 87.7314 3.08041 23.5615 3.08037 -45.5199 -36.8454 23.5615 -36.8454 -64.6358 GPRESSAVG: 2226000 86.8198 1.67294 24.1923 2.73826 -46.3552 -38.4863 21.2866 -35.1838 -62.7387 TIMING: 2226000 CPU: 6458.74, 0.00291606/step Wall: 6458.74, 0.00291606/step, 2.24699 hours remaining, 206.332031 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: 2226000 729.0845 2105.9979 1970.1026 104.2848 -206798.9670 18073.9732 0.0000 0.0000 34334.2116 -149481.3124 299.8492 -183815.5240 -149380.6461 298.6448 -11.5410 26.5028 558000.5964 -7.4748 -7.4247 PRESSURE: 2226200 17.6767 -101.546 47.2435 -101.546 -119.428 142.723 47.243 142.723 -35.4542 GPRESSURE: 2226200 51.4383 -82.7991 112.835 -150.824 -43.9196 149.008 -9.60088 50.1807 -47.487 PRESSAVG: 2226200 -13.9864 -7.97553 22.9577 -7.97546 -36.4633 -20.111 22.9577 -20.1109 38.7449 GPRESSAVG: 2226200 -13.316 -7.48519 22.4742 -8.93783 -35.5223 -18.1145 22.4242 -20.3313 36.9931 TIMING: 2226200 CPU: 6459.32, 0.00290216/step Wall: 6459.32, 0.00290216/step, 2.23611 hours remaining, 206.332031 MB of memory in use. ENERGY: 2226200 760.5918 2041.6404 1970.2881 116.9840 -206171.3048 17677.3018 0.0000 0.0000 34177.8620 -149426.6367 298.4838 -183604.4987 -149331.0551 298.8754 -45.7351 -13.3227 557845.6115 -3.9016 -3.9484 PRESSURE: 2226400 -166.536 -7.78687 -57.5715 -7.78695 -319.711 10.1425 -57.5716 10.142 155.638 GPRESSURE: 2226400 -112.012 5.91631 -39.0374 -44.0578 -306.474 -19.7468 11.2836 23.5327 187.355 PRESSAVG: 2226400 18.9383 -31.5396 -27.2217 -31.5396 -32.2352 4.1621 -27.2217 4.16206 -5.5001 GPRESSAVG: 2226400 18.9377 -31.5998 -28.8267 -29.6208 -32.6123 3.42255 -25.257 3.18017 -4.20648 TIMING: 2226400 CPU: 6459.9, 0.00292535/step Wall: 6459.9, 0.00292535/step, 2.25382 hours remaining, 206.535156 MB of memory in use. ENERGY: 2226400 743.9477 2092.8087 1959.9016 126.9167 -206447.8274 17756.5443 0.0000 0.0000 34309.7866 -149457.9217 299.6359 -183767.7083 -149358.4669 298.8524 -110.2031 -77.0436 556872.5143 -6.2657 -5.9604 PRESSURE: 2226600 -250.373 115.857 -18.5187 115.858 2.46964 -11.0521 -18.5186 -11.0517 -206.042 GPRESSURE: 2226600 -187.54 8.52795 -7.49488 194.744 22.0464 -37.0675 -23.7675 -26.6835 -199.971 PRESSAVG: 2226600 -6.65054 4.89099 -8.44688 4.89092 13.6214 -22.5415 -8.4469 -22.5415 -36.2647 GPRESSAVG: 2226600 -6.47945 4.01065 -8.08135 3.62421 12.7278 -22.6452 -8.07108 -22.2015 -35.4477 TIMING: 2226600 CPU: 6460.48, 0.00290542/step Wall: 6460.48, 0.00290542/step, 2.2383 hours remaining, 206.535156 MB of memory in use. ENERGY: 2226600 744.4198 2030.4894 1984.0682 120.0612 -205954.2287 17563.9107 0.0000 0.0000 34098.7947 -149412.4848 297.7933 -183511.2795 -149316.2699 298.5294 -151.3150 -121.8215 559735.0219 -9.7646 -9.7331 PRESSURE: 2226800 -294.652 102.807 35.2341 102.808 -246.888 22.6661 35.2336 22.6663 35.8948 GPRESSURE: 2226800 -285.449 70.1415 -49.8049 168.064 -183.339 85.2682 74.1857 -27.2582 61.5575 PRESSAVG: 2226800 -35.3951 10.4625 17.5383 10.4625 -32.3074 -14.1979 17.5383 -14.198 50.7406 GPRESSAVG: 2226800 -35.5479 11.2203 18.2977 10.9444 -31.3742 -12.4344 16.1395 -15.0999 49.6913 TIMING: 2226800 CPU: 6461.07, 0.00293796/step Wall: 6461.07, 0.00293796/step, 2.26321 hours remaining, 206.535156 MB of memory in use. ENERGY: 2226800 804.4166 2082.7754 1943.1498 111.5677 -206002.8379 17661.1198 0.0000 0.0000 34092.8549 -149306.9539 297.7414 -183399.8087 -149200.7221 298.3408 -168.5484 -135.7437 558795.9119 -5.6540 -5.7436 PRESSURE: 2227000 -20.7355 71.5227 104.819 71.523 -42.6071 -36.217 104.818 -36.2169 -116.223 GPRESSURE: 2227000 7.32118 41.284 150.93 60.1737 8.89138 -97.6677 54.4478 59.2359 -106.735 PRESSAVG: 2227000 -15.491 37.8341 -46.0931 37.8341 -26.2186 -25.5091 -46.0932 -25.509 59.4701 GPRESSAVG: 2227000 -14.9454 38.0784 -48.4419 34.8424 -26.308 -27.5188 -44.8638 -21.7823 58.0656 TIMING: 2227000 CPU: 6461.66, 0.0029211/step Wall: 6461.66, 0.0029211/step, 2.25006 hours remaining, 206.535156 MB of memory in use. ENERGY: 2227000 771.2815 2164.5442 1938.4813 111.0322 -206632.0509 17940.5825 0.0000 0.0000 34312.5300 -149393.5992 299.6599 -183706.1293 -149294.6822 298.6710 -59.8551 -30.1741 557950.8130 5.9202 5.6041 PRESSURE: 2227200 113.178 -36.0511 -87.6853 -36.0526 -177.151 -15.9146 -87.6846 -15.9158 -132.161 GPRESSURE: 2227200 125.478 52.0212 -55.8996 -18.1267 -139.098 -17.6758 -63.0866 6.84364 -87.3905 PRESSAVG: 2227200 38.7026 54.0772 32.8179 54.0772 -57.2297 17.7584 32.8179 17.7585 27.6534 GPRESSAVG: 2227200 37.9719 54.7491 34.5711 55.9778 -57.0698 18.659 33.0641 16.8964 28.1402 TIMING: 2227200 CPU: 6462.24, 0.00291844/step Wall: 6462.24, 0.00291844/step, 2.24784 hours remaining, 206.535156 MB of memory in use. ENERGY: 2227200 749.8196 2096.9890 1960.0516 126.6494 -206120.1358 17664.1040 0.0000 0.0000 34229.6250 -149292.8972 298.9358 -183522.5221 -149191.8358 299.0094 -65.3782 -33.6704 557881.9977 3.0421 3.0141 PRESSURE: 2227400 -173.729 -55.1293 121.02 -55.1296 120.098 29.844 121.019 29.8458 -35.3134 GPRESSURE: 2227400 -156.791 11.4889 114.372 -121.071 150.537 83.7824 16.847 3.53218 14.3563 PRESSAVG: 2227400 30.5669 7.18136 -12.2564 7.18128 -30.6081 -43.7153 -12.2565 -43.7152 -19.0929 GPRESSAVG: 2227400 30.0012 6.31075 -11.8404 7.61553 -30.1649 -42.0523 -11.8754 -47.3182 -18.991 TIMING: 2227400 CPU: 6462.82, 0.00291814/step Wall: 6462.82, 0.00291813/step, 2.24745 hours remaining, 206.535156 MB of memory in use. ENERGY: 2227400 781.3430 2092.2797 1955.6239 121.5594 -206123.9055 17856.0293 0.0000 0.0000 34136.5311 -149180.5392 298.1228 -183317.0703 -149084.5314 298.3422 -29.6482 2.7009 558958.2932 -6.3780 -6.3849 PRESSURE: 2227600 -53.7838 -160.325 36.8168 -160.326 160.053 241.49 36.8164 241.492 -19.0811 GPRESSURE: 2227600 8.1613 -162.364 12.7358 -163.596 133.897 175.568 66.3224 209.471 35.1582 PRESSAVG: 2227600 -30.7176 -15.0897 13.2333 -15.0897 48.4208 -38.8595 13.2334 -38.8597 -40.4733 GPRESSAVG: 2227600 -29.519 -15.6971 12.1884 -14.5119 46.0869 -41.1376 15.4454 -34.4929 -39.2651 TIMING: 2227600 CPU: 6463.41, 0.00290528/step Wall: 6463.41, 0.00290528/step, 2.23739 hours remaining, 206.535156 MB of memory in use. ENERGY: 2227600 771.0943 2124.0919 1937.5677 107.6710 -206304.9948 17969.2298 0.0000 0.0000 34439.2820 -148956.0582 300.7668 -183395.3402 -148858.5736 299.2809 29.0628 59.0720 559270.7187 -7.5901 -7.5657 PRESSURE: 2227800 63.548 38.5468 131.616 38.5472 215.603 42.3536 131.616 42.3517 -18.0157 GPRESSURE: 2227800 91.0649 103.56 90.6195 2.44377 256.193 69.9032 160.075 -27.3864 11.6323 PRESSAVG: 2227800 -77.7809 58.0296 55.7688 58.0296 61.0166 -6.58894 55.7688 -6.58905 -25.8768 GPRESSAVG: 2227800 -77.2386 59.0432 54.9506 57.4025 61.6012 -6.93363 53.8021 -8.17507 -26.9043 TIMING: 2227800 CPU: 6463.98, 0.00287939/step Wall: 6463.98, 0.00287939/step, 2.21729 hours remaining, 206.535156 MB of memory in use. ENERGY: 2227800 757.6587 2070.6950 2012.3789 120.1924 -206234.9387 18026.0477 0.0000 0.0000 34273.3507 -148974.6152 299.3177 -183247.9659 -148884.1118 300.1567 87.0452 119.6301 559669.2100 -14.2137 -14.1806 PRESSURE: 2228000 -170.077 -112.803 10.1719 -112.803 -102.104 -53.9182 10.1711 -53.9199 24.0955 GPRESSURE: 2228000 -136.202 -152.103 82.4987 -50.897 -32.0344 -113.434 -42.4469 -64.2157 27.7795 PRESSAVG: 2228000 -19.3094 -12.1068 -28.6837 -12.1067 82.7669 -9.00708 -28.6837 -9.00693 -55.1824 GPRESSAVG: 2228000 -20.2944 -12.0352 -27.5413 -11.6172 83.1355 -7.83515 -29.2931 -12.0746 -54.3818 TIMING: 2228000 CPU: 6464.56, 0.00287808/step Wall: 6464.56, 0.00287808/step, 2.21612 hours remaining, 206.535156 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: 2228000 723.0370 2055.8649 1978.9547 109.2778 -205916.3571 17729.6583 0.0000 0.0000 34155.1888 -149164.3756 298.2858 -183319.5644 -149063.0327 299.5838 -82.6954 -46.8190 558202.9046 2.7584 2.8198 PRESSURE: 2228200 -458.054 38.314 -98.3648 38.316 -329.124 -111.719 -98.3657 -111.72 -228.173 GPRESSURE: 2228200 -459.882 -4.68825 -57.3135 66.8466 -278.383 -145.869 -118.385 0.0749667 -185.61 PRESSAVG: 2228200 5.59207 -68.8016 -2.46472 -68.8016 11.3951 -45.6566 -2.46477 -45.6565 -23.7025 GPRESSAVG: 2228200 6.48557 -70.0496 -2.88584 -68.8637 10.6996 -45.0577 -2.49542 -43.1819 -24.2153 TIMING: 2228200 CPU: 6465.13, 0.00286997/step Wall: 6465.13, 0.00286997/step, 2.20972 hours remaining, 206.535156 MB of memory in use. ENERGY: 2228200 773.3836 2142.3529 1957.6581 119.0270 -205774.4957 17428.2907 0.0000 0.0000 34215.1967 -149138.5866 298.8098 -183353.7833 -149042.8831 299.0842 -338.4505 -307.9587 558442.1500 -2.2384 -2.3434 LDB: ============= START OF LOAD BALANCING ============== 6468.6 LDB: ============== END OF LOAD BALANCING =============== 6468.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6468.6 LDB: ============= START OF LOAD BALANCING ============== 6468.89 LDB: Largest compute 4821 load 0.029615 is 25.2% of average load 0.117742 LDB: Average compute 0.001729 is 1.5% of average load 0.117742 LDB: TIME 6468.89 LOAD: AVG 0.117742 MAX 0.178338 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 6468.89 LOAD: AVG 0.117742 MAX 0.178338 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 6468.89 LOAD: AVG 0.117742 MAX 0.178338 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 6468.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6468.9 PRESSURE: 2228400 -141.115 69.5132 83.0515 69.5133 -40.1147 -42.9594 83.0522 -42.9593 -32.5656 GPRESSURE: 2228400 -74.3369 87.029 88.0822 134.621 -9.96835 26.558 102.147 -135.874 -36.4797 PRESSAVG: 2228400 49.7264 -8.55045 -2.23816 -8.55044 -47.4886 -27.5405 -2.23818 -27.5405 14.4978 GPRESSAVG: 2228400 48.9291 -9.40738 -1.82445 -6.38492 -47.1654 -28.7944 -1.60706 -27.8705 14.4136 TIMING: 2228400 CPU: 6465.72, 0.00295054/step Wall: 6465.72, 0.00295054/step, 2.27159 hours remaining, 205.937500 MB of memory in use. ENERGY: 2228400 751.8343 2108.6728 1971.5730 114.7971 -205831.2304 17757.2073 0.0000 0.0000 34132.0505 -148995.0954 298.0837 -183127.1460 -148899.0223 299.5709 -71.2650 -40.2617 558275.4279 5.5785 5.3924 PRESSURE: 2228600 133.346 -139.794 -3.76289 -139.794 -287.834 160.034 -3.76357 160.033 -93.2284 GPRESSURE: 2228600 102.881 -111.58 25.2348 -48.5821 -206.621 33.1312 -3.53968 205.991 -47.4461 PRESSAVG: 2228600 28.936 -84.1654 -9.27039 -84.1654 -10.5199 25.8701 -9.27046 25.8701 -20.969 GPRESSAVG: 2228600 29.0065 -81.5136 -9.63699 -86.5605 -10.961 26.5472 -10.1217 25.6937 -20.3762 TIMING: 2228600 CPU: 6466.3, 0.00290001/step Wall: 6466.3, 0.00290001/step, 2.23253 hours remaining, 205.937500 MB of memory in use. ENERGY: 2228600 763.5461 2142.5237 1976.1361 121.7539 -206331.4641 17891.6563 0.0000 0.0000 34340.7186 -149095.1294 299.9060 -183435.8480 -148997.3758 299.2357 -82.5721 -50.3955 558155.3498 -0.8510 -0.7769 PRESSURE: 2228800 -24.7235 192.757 -118.707 192.758 -60.7824 -132.752 -118.707 -132.751 124.405 GPRESSURE: 2228800 4.30935 198.411 -55.7123 173.518 -24.6003 -65.0736 -133.992 -76.5209 152.003 PRESSAVG: 2228800 59.921 -10.1 20.1238 -10.1001 -32.8918 31.5049 20.1238 31.5049 18.3658 GPRESSAVG: 2228800 60.2623 -10.9739 19.8534 -9.28139 -32.2688 33.9522 21.7472 27.3938 17.5277 TIMING: 2228800 CPU: 6466.88, 0.00288442/step Wall: 6466.88, 0.00288442/step, 2.22036 hours remaining, 205.937500 MB of memory in use. ENERGY: 2228800 750.3248 2087.7973 1964.1228 103.6148 -205877.3151 17691.9005 0.0000 0.0000 34267.0808 -149012.4741 299.2629 -183279.5549 -148918.4808 299.2464 12.9665 43.9041 558330.4780 15.1316 15.1737 PRESSURE: 2229000 34.0393 15.2651 2.89515 15.2645 164.403 -127.373 2.89463 -127.373 -65.5292 GPRESSURE: 2229000 44.0153 -8.72654 -65.435 74.4992 229.935 -145.382 70.8461 -126.261 -38.8394 PRESSAVG: 2229000 15.7728 34.048 -7.04559 34.048 5.4927 58.9765 -7.04555 58.9766 -82.8655 GPRESSAVG: 2229000 15.959 34.576 -7.29721 33.6772 5.77023 56.6637 -7.0542 63.0212 -82.9988 TIMING: 2229000 CPU: 6467.45, 0.00287326/step Wall: 6467.45, 0.00287326/step, 2.21162 hours remaining, 205.937500 MB of memory in use. ENERGY: 2229000 742.0261 2078.1698 1968.3738 119.9453 -206015.0784 17797.8321 0.0000 0.0000 34403.1336 -148905.5977 300.4511 -183308.7313 -148810.3488 299.6450 44.3044 78.3703 559359.5168 -20.5333 -20.4232 PRESSURE: 2229200 -180.846 283.001 -103.126 283 -125.65 -85.6903 -103.126 -85.6896 -492.886 GPRESSURE: 2229200 -153.019 257.867 -121.491 299.963 -77.6404 3.39603 -159.067 -92.7676 -468.827 PRESSAVG: 2229200 -28.2511 16.1245 -17.0488 16.1244 81.4956 -24.8073 -17.0487 -24.8075 9.53023 GPRESSAVG: 2229200 -29.1698 14.9453 -14.7736 16.6343 81.5329 -25.2175 -18.0293 -25.8649 10.188 TIMING: 2229200 CPU: 6468.03, 0.00288183/step Wall: 6468.03, 0.00288183/step, 2.21805 hours remaining, 206.007812 MB of memory in use. ENERGY: 2229200 727.8750 2055.7047 1942.7352 120.0432 -205855.6600 17565.3334 0.0000 0.0000 34468.0985 -148975.8701 301.0185 -183443.9685 -148872.6378 300.1958 -266.4605 -233.1621 559036.6576 20.9249 20.8504 PRESSURE: 2229400 59.3785 -138.275 -148.93 -138.274 64.8722 92.2214 -148.931 92.2206 246.296 GPRESSURE: 2229400 130.826 -158.655 -126.181 -178.404 73.5156 44.4648 -135.726 31.8734 265.451 PRESSAVG: 2229400 33.7219 20.975 2.53113 20.975 16.886 31.0725 2.53105 31.0726 -11.1568 GPRESSAVG: 2229400 34.8797 22.6938 0.0356842 19.6941 16.6355 31.4049 2.31017 32.3128 -11.3021 TIMING: 2229400 CPU: 6468.61, 0.00288841/step Wall: 6468.61, 0.00288841/step, 2.22295 hours remaining, 206.007812 MB of memory in use. ENERGY: 2229400 742.5726 2099.8120 1947.2279 108.8882 -206237.7785 18070.0960 0.0000 0.0000 34440.0982 -148829.0836 300.7739 -183269.1818 -148732.6762 300.1911 123.5154 156.5973 558863.0564 13.1504 13.4044 PRESSURE: 2229600 81.3533 135.802 120.462 135.802 108.826 -136.938 120.462 -136.939 337.888 GPRESSURE: 2229600 124.222 90.6457 146.576 243.541 129.787 -151.879 53.2478 -162.057 375.337 PRESSAVG: 2229600 30.3234 46.1443 29.5994 46.1444 6.36083 -39.2707 29.5995 -39.2708 -21.395 GPRESSAVG: 2229600 30.75 45.5405 32.7448 46.9187 7.43419 -38.2001 29.676 -39.6393 -22.1274 TIMING: 2229600 CPU: 6469.18, 0.00289086/step Wall: 6469.18, 0.00289086/step, 2.22468 hours remaining, 206.007812 MB of memory in use. ENERGY: 2229600 772.4986 2113.8312 1970.8300 102.4261 -206167.9284 17936.3506 0.0000 0.0000 34393.7597 -148878.2321 300.3693 -183271.9918 -148779.4463 300.1893 176.0223 209.7820 556701.8692 5.0964 5.3523 PRESSURE: 2229800 -84.4971 50.0914 -44.2749 50.0898 -53.5539 -33.3556 -44.2743 -33.3571 -282.215 GPRESSURE: 2229800 -69.3426 58.2381 -76.0446 58.7912 -41.9168 4.19674 -82.0852 -76.6737 -207.29 PRESSAVG: 2229800 42.0573 54.6734 9.56001 54.6733 -1.79876 6.68508 9.56007 6.68502 -35.8334 GPRESSAVG: 2229800 41.1903 53.1668 6.29488 53.3098 -2.66233 6.67951 9.65073 7.34312 -33.5651 TIMING: 2229800 CPU: 6469.76, 0.00289126/step Wall: 6469.76, 0.00289126/step, 2.22483 hours remaining, 206.007812 MB of memory in use. ENERGY: 2229800 768.1169 2154.6047 1990.8916 114.3321 -205962.4262 17738.9360 0.0000 0.0000 34539.5375 -148656.0075 301.6424 -183195.5450 -148554.8380 300.1335 -140.0888 -106.1830 559551.2803 1.4750 1.6543 PRESSURE: 2230000 -22.8195 -153.259 -180.117 -153.258 -65.4052 -22.1187 -180.118 -22.1187 69.0385 GPRESSURE: 2230000 -6.8556 -238.489 -143.854 -78.3487 -16.9702 23.5323 -171.383 50.2107 104.504 PRESSAVG: 2230000 17.9556 -3.26915 7.17512 -3.26928 -36.1586 -24.0147 7.17514 -24.0147 27.3582 GPRESSAVG: 2230000 18.5809 -1.63243 9.10237 -3.31387 -36.7175 -23.4895 8.11748 -24.0133 27.4773 TIMING: 2230000 CPU: 6470.34, 0.00288981/step Wall: 6470.34, 0.00288981/step, 2.22355 hours remaining, 206.007812 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: 2230000 742.2734 2130.3830 1982.5138 125.8255 -205598.9812 17674.9359 0.0000 0.0000 34398.9932 -148544.0564 300.4150 -182943.0496 -148451.1201 300.3524 -6.3954 26.8929 558524.0575 3.0517 3.1136 PRESSURE: 2230200 -153.948 -110.258 67.0682 -110.258 103.788 146.855 67.0679 146.853 159.68 GPRESSURE: 2230200 -87.2105 4.00793 104.902 -75.5832 156.415 108.769 80.1476 152.177 142.66 PRESSAVG: 2230200 -105.08 -21.1807 18.4343 -21.1807 56.7077 -16.2013 18.4344 -16.2014 73.3953 GPRESSAVG: 2230200 -105.326 -20.9682 17.222 -18.794 57.3367 -17.2156 17.5301 -17.2365 73.4876 TIMING: 2230200 CPU: 6470.92, 0.00290321/step Wall: 6470.92, 0.00290321/step, 2.2337 hours remaining, 206.007812 MB of memory in use. ENERGY: 2230200 754.7217 2150.3174 1969.6030 110.7522 -205811.0488 17751.8026 0.0000 0.0000 34377.2310 -148696.6209 300.2249 -183073.8519 -148605.9397 301.4724 36.5068 70.6213 559474.6128 8.3408 8.4993 PRESSURE: 2230400 -64.7673 -124.599 -13.4625 -124.599 -16.6775 51.6679 -13.4631 51.6686 18.3662 GPRESSURE: 2230400 -94.4793 -85.378 -24.604 -86.7602 15.9494 80.4645 22.3561 51.668 122.713 PRESSAVG: 2230400 7.44854 -55.0184 -2.48349 -55.0185 -14.3295 -30.4988 -2.48348 -30.4987 1.73637 GPRESSAVG: 2230400 8.70247 -55.9391 -2.43053 -56.8663 -13.8524 -30.169 -2.3492 -32.2058 0.593528 TIMING: 2230400 CPU: 6471.5, 0.00289805/step Wall: 6471.5, 0.00289805/step, 2.22957 hours remaining, 206.007812 MB of memory in use. ENERGY: 2230400 766.5522 2149.6171 1983.7308 127.3582 -205828.5541 17775.4125 0.0000 0.0000 34451.1378 -148574.7454 300.8704 -183025.8833 -148477.3831 300.8935 -21.0262 14.7276 558704.5066 -1.7149 -1.5188 PRESSURE: 2230600 -48.8976 -5.04095 -284.908 -5.04022 -5.33712 -30.2531 -284.908 -30.2525 -147 GPRESSURE: 2230600 -18.358 -25.9371 -265.756 18.8667 42.3414 -67.9787 -294.868 80.296 -132.241 PRESSAVG: 2230600 15.9249 14.733 12.4572 14.733 9.72629 35.5879 12.4573 35.5879 -5.28075 GPRESSAVG: 2230600 14.6517 13.3323 13.1467 14.9176 9.31429 34.5538 13.3375 37.8227 -4.24539 TIMING: 2230600 CPU: 6472.08, 0.00290824/step Wall: 6472.08, 0.00290824/step, 2.23725 hours remaining, 206.007812 MB of memory in use. ENERGY: 2230600 753.7364 2085.1625 1965.1490 130.6310 -205735.4936 17740.2789 0.0000 0.0000 34486.7029 -148573.8329 301.1810 -183060.5358 -148480.8604 301.3091 -67.0782 -36.0858 559139.2089 6.7902 6.5735 PRESSURE: 2230800 65.943 158.092 -154.736 158.091 -21.4606 -10.9294 -154.737 -10.9308 -130.376 GPRESSURE: 2230800 95.1738 194.872 -157.943 167.048 10.1703 38.5531 -113.558 -24.597 -96.1976 PRESSAVG: 2230800 18.3448 -26.445 -71.1197 -26.4452 -35.3468 -39.9617 -71.1196 -39.9618 -7.94658 GPRESSAVG: 2230800 18.3459 -25.8813 -69.636 -23.828 -35.8023 -38.3692 -73.2079 -41.093 -7.68265 TIMING: 2230800 CPU: 6472.67, 0.00291253/step Wall: 6472.67, 0.00291253/step, 2.24038 hours remaining, 206.007812 MB of memory in use. ENERGY: 2230800 699.5750 2083.0928 1993.0925 124.1536 -205515.2208 17598.1356 0.0000 0.0000 34225.1798 -148791.9915 298.8970 -183017.1712 -148694.9106 300.5089 -28.6311 3.0488 558621.2189 -8.3162 -8.3797 PRESSURE: 2231000 -143.582 -26.2536 -88.3138 -26.254 -137.157 -9.13017 -88.3153 -9.13069 -225.829 GPRESSURE: 2231000 -169.063 -28.6367 -115.929 -27.8702 -91.8685 48.0657 -147.616 64.4856 -152.358 PRESSAVG: 2231000 37.242 -37.9104 -44.3899 -37.9105 -4.42889 23.7514 -44.3899 23.7514 41.2607 GPRESSAVG: 2231000 37.168 -37.2656 -45.9361 -40.2894 -3.73192 23.4036 -44.0517 23.6616 40.5933 TIMING: 2231000 CPU: 6473.25, 0.00290562/step Wall: 6473.25, 0.00290562/step, 2.23491 hours remaining, 206.007812 MB of memory in use. ENERGY: 2231000 740.2449 2132.1819 1958.5881 115.9189 -205493.6459 17317.5047 0.0000 0.0000 34400.6755 -148828.5319 300.4297 -183229.2074 -148732.9579 300.0630 -168.8562 -137.7631 557829.3712 24.6913 24.6765 PRESSURE: 2231200 139.505 96.1623 225.757 96.1627 -106.166 55.0039 225.757 55.0037 22.6562 GPRESSURE: 2231200 140.931 143.989 235.76 100.358 -76.0062 -57.1395 168.735 151.749 106.783 PRESSAVG: 2231200 -27.8259 14.4227 -29.4839 14.4227 -5.64262 43.315 -29.4839 43.315 64.202 GPRESSAVG: 2231200 -28.9086 15.1571 -27.3171 13.3153 -5.06863 43.3914 -29.9095 43.8105 65.2445 TIMING: 2231200 CPU: 6473.83, 0.00292159/step Wall: 6473.83, 0.00292159/step, 2.24703 hours remaining, 206.007812 MB of memory in use. ENERGY: 2231200 729.9523 2064.7146 1992.5793 108.1648 -205952.4209 17752.8045 0.0000 0.0000 34415.0850 -148889.1203 300.5555 -183304.2054 -148786.7871 300.0394 18.6653 57.2359 557293.9981 10.2445 10.4224 PRESSURE: 2231400 85.8874 -297.94 25.6391 -297.941 248.151 -75.481 25.6404 -75.4811 -180.096 GPRESSURE: 2231400 128.769 -296.889 16.9688 -244.424 260.561 30.9831 -95.3317 -116.961 -139.439 PRESSAVG: 2231400 -11.3646 -17.1472 -37.4906 -17.1471 88.1499 2.24082 -37.4905 2.24078 -38.5482 GPRESSAVG: 2231400 -11.2183 -18.4152 -38.6172 -15.9724 87.4673 2.28778 -36.8865 0.405405 -38.2146 TIMING: 2231400 CPU: 6474.41, 0.00290659/step Wall: 6474.41, 0.00290659/step, 2.23533 hours remaining, 206.007812 MB of memory in use. ENERGY: 2231400 742.4818 2093.5495 1948.1808 126.5720 -206099.9564 17887.0632 0.0000 0.0000 34468.7311 -148833.3781 301.0240 -183302.1092 -148732.7798 300.6921 51.3142 83.2971 557225.2323 12.7457 12.6781 PRESSURE: 2231600 94.2169 -31.069 -171.76 -31.0678 -65.7229 46.7879 -171.759 46.7871 219.076 GPRESSURE: 2231600 105.396 -45.437 -211.913 -69.5017 11.9535 115.314 -236.354 -61.9469 233.369 PRESSAVG: 2231600 -43.3787 -30.3736 -13.5083 -30.3736 35.4402 19.3076 -13.5082 19.3078 -13.7747 GPRESSAVG: 2231600 -42.8549 -28.8244 -12.2719 -32.7774 36.2381 19.132 -12.6049 21.5677 -15.2684 TIMING: 2231600 CPU: 6474.99, 0.00291154/step Wall: 6474.99, 0.00291154/step, 2.23898 hours remaining, 206.007812 MB of memory in use. ENERGY: 2231600 755.3058 2132.5402 1970.4377 115.0193 -205804.7792 17879.7305 0.0000 0.0000 34271.8600 -148679.8858 299.3047 -182951.7458 -148584.0081 299.9921 82.5234 116.9063 557288.9820 -7.2377 -7.2951 PRESSURE: 2231800 274.553 24.9514 32.0779 24.9514 -198.155 14.3817 32.0763 14.382 121.691 GPRESSURE: 2231800 285.737 124.218 15.154 -37.3759 -178.318 10.8275 60.9876 11.8453 194.316 PRESSAVG: 2231800 45.4008 24.405 -61.9967 24.4048 -99.2251 41.0885 -61.9967 41.0886 -1.19103 GPRESSAVG: 2231800 45.0488 23.0529 -63.2836 24.2502 -99.3618 41.4149 -62.4155 40.3103 -1.03138 TIMING: 2231800 CPU: 6475.58, 0.00293789/step Wall: 6475.58, 0.00293789/step, 2.25907 hours remaining, 206.007812 MB of memory in use. ENERGY: 2231800 750.5731 2149.0672 1989.4740 120.2420 -205767.5124 17818.2660 0.0000 0.0000 34355.3471 -148584.5431 300.0338 -182939.8902 -148492.7133 301.0449 66.0300 100.5783 557826.5647 -18.3384 -18.4481 PRESSURE: 2232000 -509.65 -37.2318 67.2516 -37.2311 -311.456 -5.20147 67.2516 -5.20345 -414.001 GPRESSURE: 2232000 -459.696 -91.425 7.43863 -71.4905 -315.753 -37.9914 61.2471 23.6167 -367.659 PRESSAVG: 2232000 46.8433 -2.16378 55.2081 -2.16387 -55.9979 22.5338 55.208 22.5337 -8.22884 GPRESSAVG: 2232000 47.8054 -2.40959 55.4925 -0.63383 -57.0245 22.8271 55.1704 23.5226 -8.62274 TIMING: 2232000 CPU: 6476.16, 0.00290884/step Wall: 6476.16, 0.00290884/step, 2.23657 hours remaining, 206.007812 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: 2232000 789.3223 2124.4813 2002.1832 103.3313 -205184.1337 17108.5882 0.0000 0.0000 34387.9074 -148668.3200 300.3181 -183056.2274 -148568.1924 300.7526 -411.7022 -381.0357 559601.1330 -5.7945 -5.9473 PRESSURE: 2232200 -129.75 -25.6737 -182.146 -25.6731 -187.489 15.2506 -182.145 15.2512 55.548 GPRESSURE: 2232200 -94.6768 -27.112 -257.869 -15.4792 -135.915 -67.0502 -111.878 -21.9315 65.8309 PRESSAVG: 2232200 26.496 -26.454 2.15734 -26.454 9.7486 12.0737 2.15729 12.0737 21.7371 GPRESSAVG: 2232200 24.7955 -25.3064 2.31083 -25.5129 10.5771 12.4624 3.26219 11.7707 22.671 TIMING: 2232200 CPU: 6476.75, 0.00291823/step Wall: 6476.75, 0.00291823/step, 2.24363 hours remaining, 206.007812 MB of memory in use. ENERGY: 2232200 762.6011 2133.7961 2007.5562 131.7991 -205459.9729 17493.7029 0.0000 0.0000 34427.8681 -148502.6493 300.6671 -182930.5174 -148403.8163 300.9696 -87.2301 -54.9203 557889.8948 19.3272 19.3479 LDB: ============= START OF LOAD BALANCING ============== 6480.21 LDB: ============== END OF LOAD BALANCING =============== 6480.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6480.22 LDB: ============= START OF LOAD BALANCING ============== 6480.51 LDB: Largest compute 4821 load 0.030464 is 25.9% of average load 0.117686 LDB: Average compute 0.001730 is 1.5% of average load 0.117686 LDB: TIME 6480.51 LOAD: AVG 0.117686 MAX 0.180586 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 6480.51 LOAD: AVG 0.117686 MAX 0.180586 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 6480.51 LOAD: AVG 0.117686 MAX 0.180586 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 6480.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6480.52 PRESSURE: 2232400 465.99 -3.88079 141.96 -3.88057 22.9013 203.907 141.959 203.907 373.201 GPRESSURE: 2232400 444.152 10.401 144.058 61.7971 97.6522 193.256 149.814 206.684 420.873 PRESSAVG: 2232400 28.9946 24.7148 -11.3392 24.7149 -15.972 8.02885 -11.3392 8.02889 -44.5944 GPRESSAVG: 2232400 29.0423 23.675 -12.0395 22.6309 -15.9576 6.68671 -14.5389 8.93166 -44.8255 TIMING: 2232400 CPU: 6477.34, 0.00297491/step Wall: 6477.34, 0.00297491/step, 2.28704 hours remaining, 207.156250 MB of memory in use. ENERGY: 2232400 756.3420 2072.0391 2003.6593 106.4697 -206013.6983 17894.9575 0.0000 0.0000 34753.2224 -148427.0083 303.5085 -183180.2307 -148321.1217 301.9558 287.3639 320.8924 556977.3053 -10.5239 -10.5803 PRESSURE: 2232600 26.0117 115.559 -101.268 115.56 45.1361 -87.291 -101.267 -87.2901 83.6314 GPRESSURE: 2232600 105.815 102.266 -51.7971 130.843 68.5971 -148.134 -101.132 -91.8256 93.2145 PRESSAVG: 2232600 60.4025 27.5144 -26.3578 27.5143 -52.1826 -3.51939 -26.3577 -3.51934 -12.8345 GPRESSAVG: 2232600 61.534 29.3087 -27.2439 27.5265 -51.1316 -4.51862 -24.2602 -3.10619 -14.5298 TIMING: 2232600 CPU: 6477.92, 0.0029029/step Wall: 6477.92, 0.0029029/step, 2.23152 hours remaining, 207.156250 MB of memory in use. ENERGY: 2232600 735.9948 2147.6347 1973.5352 118.0560 -205701.4950 17648.7231 0.0000 0.0000 34616.0748 -148461.4764 302.3108 -183077.5511 -148355.5894 301.7848 51.5931 89.2087 556754.9574 -1.5382 -1.3758 PRESSURE: 2232800 -22.5201 -164.688 3.66547 -164.688 13.7611 95.5209 3.66572 95.5211 -623.374 GPRESSURE: 2232800 -0.870496 -195.805 2.16102 -217.949 61.7631 7.39945 65.7454 59.8989 -583.899 PRESSAVG: 2232800 5.13232 14.4587 23.2698 14.4587 33.1389 -54.3963 23.2697 -54.3964 -50.9144 GPRESSAVG: 2232800 5.56488 12.1706 24.5368 17.5673 31.6411 -51.7036 22.3119 -55.8211 -49.6216 TIMING: 2232800 CPU: 6478.51, 0.00292254/step Wall: 6478.51, 0.00292254/step, 2.24646 hours remaining, 207.156250 MB of memory in use. ENERGY: 2232800 762.6114 2067.9358 1981.0866 106.7395 -205689.5205 17396.3243 0.0000 0.0000 34665.9444 -148708.8786 302.7463 -183374.8229 -148599.4956 301.5358 -210.7109 -174.3354 558360.1811 -4.2144 -4.1385 PRESSURE: 2233000 5.55701 25.0215 53.564 25.0203 135.167 -130.928 53.5639 -130.925 -146.121 GPRESSURE: 2233000 8.05932 -16.3547 -1.64598 -9.35874 186.594 -149.28 19.8261 -173.143 -93.1669 PRESSAVG: 2233000 43.3998 23.7589 46.6451 23.7588 -10.3783 -22.4872 46.6451 -22.487 -15.1917 GPRESSAVG: 2233000 44.428 25.4561 48.1572 20.1062 -10.8592 -23.1223 48.6454 -25.1843 -15.5556 TIMING: 2233000 CPU: 6479.09, 0.00290261/step Wall: 6479.09, 0.00290261/step, 2.23098 hours remaining, 207.156250 MB of memory in use. ENERGY: 2233000 767.6032 2120.0053 1946.0434 107.9803 -205869.4157 17683.6440 0.0000 0.0000 34500.5641 -148743.5755 301.3020 -183244.1396 -148642.0225 301.9464 -1.7990 33.8289 556543.9800 5.9433 6.0044 PRESSURE: 2233200 -194.179 -34.5696 96.2018 -34.5714 -44.2651 180.443 96.202 180.442 49.053 GPRESSURE: 2233200 -175.614 -70.2991 110.57 -10.4912 -17.7911 254.215 58.566 156.049 97.8951 PRESSAVG: 2233200 -56.5426 11.5046 3.66021 11.5046 67.1308 20.237 3.66026 20.237 12.8452 GPRESSAVG: 2233200 -57.4499 11.0163 3.27873 13.2449 67.8281 20.0814 1.85368 22.9912 12.9767 TIMING: 2233200 CPU: 6479.67, 0.00292318/step Wall: 6479.67, 0.00292319/step, 2.24663 hours remaining, 207.156250 MB of memory in use. ENERGY: 2233200 797.1221 2065.1093 1953.2861 100.8247 -205924.2634 17742.5818 0.0000 0.0000 34387.4330 -148877.9064 300.3140 -183265.3394 -148780.3495 300.8877 -63.1303 -31.8367 558833.0511 7.8111 7.7850 PRESSURE: 2233400 -109.77 -31.6109 -270.85 -31.6112 -34.0284 -262.741 -270.849 -262.741 59.1221 GPRESSURE: 2233400 -168.521 -108.007 -349.47 -29.1182 33.9751 -283.597 -284.329 -236.312 148.267 PRESSAVG: 2233400 -4.92089 -28.8036 -20.5257 -28.8034 43.6687 -26.7197 -20.5257 -26.7197 -20.6817 GPRESSAVG: 2233400 -5.35234 -28.7536 -21.8362 -25.5792 43.5211 -28.4685 -18.577 -26.1397 -20.3588 TIMING: 2233400 CPU: 6480.26, 0.00292826/step Wall: 6480.26, 0.00292826/step, 2.25036 hours remaining, 207.226562 MB of memory in use. ENERGY: 2233400 741.4282 2067.9390 1959.0406 103.9344 -205911.2304 17754.8133 0.0000 0.0000 34400.9161 -148883.1587 300.4318 -183284.0748 -148787.0309 300.4015 -28.2253 4.5735 558356.2671 6.0220 5.9366 PRESSURE: 2233600 -17.4753 51.2114 -71.229 51.2124 258.652 49.5426 -71.2287 49.5426 10.9239 GPRESSURE: 2233600 -30.5977 57.5052 -44.7087 36.6405 292.609 81.9637 -22.5469 82.6111 91.2178 PRESSAVG: 2233600 -22.9704 -14.102 -32.911 -14.1019 8.7603 12.9655 -32.9111 12.9656 8.47387 GPRESSAVG: 2233600 -23.3787 -13.3775 -32.4142 -17.7357 8.69084 12.7425 -33.9169 13.9343 8.84307 TIMING: 2233600 CPU: 6480.84, 0.00289723/step Wall: 6480.84, 0.00289723/step, 2.22636 hours remaining, 207.226562 MB of memory in use. ENERGY: 2233600 728.1327 2122.0426 1989.5668 115.3705 -206155.3570 17939.4498 0.0000 0.0000 34310.9274 -148949.8672 299.6459 -183260.7946 -148855.5733 299.2640 84.0337 117.7430 558051.0979 -1.9121 -1.9483 PRESSURE: 2233800 -214.191 -61.6959 -53.2854 -61.6964 -61.0616 1.58434 -53.2855 1.58273 -52.2299 GPRESSURE: 2233800 -94.4717 -99.9071 -7.61457 -12.6557 -92.0573 -102.829 -47.6109 82.6315 -47.2841 PRESSAVG: 2233800 17.7615 13.7882 2.48473 13.7882 -35.3921 3.87627 2.48474 3.87619 -2.24702 GPRESSAVG: 2233800 17.261 14.0787 1.42568 14.8925 -35.6881 4.41514 2.1216 2.54334 -1.57403 TIMING: 2233800 CPU: 6481.42, 0.0029069/step Wall: 6481.42, 0.0029069/step, 2.23363 hours remaining, 207.226562 MB of memory in use. ENERGY: 2233800 767.7768 2051.0100 1964.3730 122.9570 -205520.7753 17432.7093 0.0000 0.0000 33993.6745 -149188.2748 296.8752 -183181.9493 -149093.2845 299.1607 -109.1608 -77.9377 558368.4670 -6.6259 -6.6670 PRESSURE: 2234000 -207.13 -20.4554 -65.155 -20.4554 -47.6247 100.457 -65.1548 100.458 45.7408 GPRESSURE: 2234000 -149.383 -57.164 -61.9765 -60.6933 11.0805 70.7263 -45.0795 83.666 30.5383 PRESSAVG: 2234000 -18.403 13.9351 32.9685 13.9352 19.7331 -13.3649 32.9686 -13.3648 10.4152 GPRESSAVG: 2234000 -17.7691 13.0907 34.4675 13.0984 18.931 -13.2509 33.0656 -13.4385 10.5205 TIMING: 2234000 CPU: 6481.99, 0.00287704/step Wall: 6481.99, 0.00287704/step, 2.21053 hours remaining, 207.226562 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: 2234000 783.8147 2040.5630 1953.7431 118.5279 -205971.3130 17525.5327 0.0000 0.0000 34404.2309 -149144.9007 300.4607 -183549.1316 -149051.5341 299.2249 -69.6714 -35.9214 555937.4002 3.9151 3.8941 PRESSURE: 2234200 -38.4534 -85.9203 -63.3908 -85.919 190.405 1.87546 -63.39 1.87598 -4.16219 GPRESSURE: 2234200 5.29652 46.3461 -134.764 -43.8595 220.941 32.782 -44.0454 23.3161 14.6185 PRESSAVG: 2234200 -23.6752 11.306 85.2431 11.3061 41.038 -12.3566 85.243 -12.3566 -8.45028 GPRESSAVG: 2234200 -21.2729 10.5745 84.255 12.6209 40.8621 -10.3866 86.0451 -10.6398 -10.3554 TIMING: 2234200 CPU: 6482.57, 0.00288733/step Wall: 6482.57, 0.00288733/step, 2.21827 hours remaining, 207.226562 MB of memory in use. ENERGY: 2234200 704.4721 2068.4345 1949.4241 110.7306 -206236.0090 17970.1777 0.0000 0.0000 34171.1278 -149261.6424 298.4250 -183432.7702 -149168.3561 299.3246 49.2630 80.2852 556906.6974 2.9708 3.0779 PRESSURE: 2234400 117.377 -81.6019 25.2384 -81.6021 314.486 4.1255 25.2388 4.12805 306.112 GPRESSURE: 2234400 102.734 -49.0083 68.7575 -159.251 316.617 -39.9262 12.2054 6.29493 415.588 PRESSAVG: 2234400 -34.9701 -45.4031 61.0588 -45.4031 36.6915 -56.5075 61.0588 -56.5076 -33.889 GPRESSAVG: 2234400 -35.9818 -44.4053 62.7615 -47.0674 38.2423 -58.5769 59.522 -56.6667 -34.1693 TIMING: 2234400 CPU: 6483.15, 0.0028987/step Wall: 6483.15, 0.0028987/step, 2.22684 hours remaining, 207.226562 MB of memory in use. ENERGY: 2234400 731.2422 2078.8746 1968.8853 123.0319 -206360.9650 18078.6942 0.0000 0.0000 34134.5098 -149245.7271 298.1052 -183380.2369 -149161.5640 298.6872 245.9917 278.3127 555402.7268 -10.7225 -10.6362 PRESSURE: 2234600 -75.6155 -169.337 44.5049 -169.335 112.613 -111.856 44.5041 -111.858 -37.2316 GPRESSURE: 2234600 -46.351 -145.719 95.542 -106.585 171.882 -205.959 -19.3624 -74.4514 -21.8397 PRESSAVG: 2234600 -28.8756 -36.9081 43.0936 -36.9079 41.976 -77.9809 43.0937 -77.9809 -1.17161 GPRESSAVG: 2234600 -29.1645 -37.9839 43.1044 -37.8228 41.6782 -76.9664 41.5692 -79.1497 -0.535578 TIMING: 2234600 CPU: 6483.73, 0.00289672/step Wall: 6483.73, 0.00289672/step, 2.22517 hours remaining, 207.226562 MB of memory in use. ENERGY: 2234600 749.2889 2081.5600 1955.5985 117.8148 -206261.9868 17934.6675 0.0000 0.0000 34116.4333 -149306.6237 297.9473 -183423.0571 -149210.1853 299.0796 -0.0780 34.5637 558313.4641 3.9763 3.9927 PRESSURE: 2234800 215.172 -253.306 136.056 -253.306 -35.3486 99.1424 136.055 99.1397 -43.4863 GPRESSURE: 2234800 227.184 -317.181 40.4217 -193.101 7.95093 217.517 255.172 -23.3996 11.2757 PRESSAVG: 2234800 -22.824 -30.4791 41.7283 -30.479 90.4426 -45.8269 41.7283 -45.8269 -4.90893 GPRESSAVG: 2234800 -22.9668 -30.1944 40.9129 -29.7719 89.8597 -46.3129 43.0141 -45.4406 -3.7517 TIMING: 2234800 CPU: 6484.31, 0.0029076/step Wall: 6484.31, 0.0029076/step, 2.23336 hours remaining, 207.226562 MB of memory in use. ENERGY: 2234800 732.8991 2085.6229 1975.5353 113.7280 -206252.9541 17892.8887 0.0000 0.0000 34168.5320 -149283.7481 298.4023 -183452.2801 -149190.8901 299.1620 45.4457 82.1368 558931.3485 20.9032 21.0471 PRESSURE: 2235000 -303.077 139.47 -1.55247 139.472 -151.855 -20.0986 -1.54987 -20.0975 -552.017 GPRESSURE: 2235000 -240.299 168.279 38.1793 177.776 -193.486 -42.9361 -16.5505 -50.1535 -473.265 PRESSAVG: 2235000 25.9433 1.82526 65.0746 1.82508 25.413 -14.364 65.0747 -14.364 -57.1253 GPRESSAVG: 2235000 27.2673 3.31466 66.2434 0.461544 24.5779 -15.9862 67.0418 -13.4288 -57.8907 TIMING: 2235000 CPU: 6484.89, 0.00288628/step Wall: 6484.89, 0.00288628/step, 2.21682 hours remaining, 207.226562 MB of memory in use. ENERGY: 2235000 756.2078 2085.1264 1959.7195 121.1694 -205896.2822 17402.8854 0.0000 0.0000 34175.5267 -149395.6471 298.4634 -183571.1737 -149301.9531 298.7161 -335.6496 -302.3498 558503.2785 -1.9230 -2.0152 PRESSURE: 2235200 -80.3825 83.5818 -92.2597 83.5811 -46.7891 -40.8367 -92.259 -40.8368 -184.528 GPRESSURE: 2235200 -95.4934 24.4101 -182.948 134.063 -19.7029 -36.2694 -89.2792 -115.994 -96.6054 PRESSAVG: 2235200 1.91643 -51.1097 7.71841 -51.1096 59.685 5.02197 7.71832 5.02198 -76.8679 GPRESSAVG: 2235200 1.85583 -52.5801 5.97964 -51.1524 60.6007 6.90437 7.28188 5.31933 -78.2185 TIMING: 2235200 CPU: 6485.47, 0.00289615/step Wall: 6485.47, 0.00289615/step, 2.22424 hours remaining, 207.226562 MB of memory in use. ENERGY: 2235200 710.3775 2083.1890 1968.7291 128.2903 -206130.8439 17632.1381 0.0000 0.0000 34173.5705 -149434.5493 298.4463 -183608.1198 -149344.0420 298.6060 -103.8999 -70.6006 557465.6592 -5.0888 -5.2540 PRESSURE: 2235400 -259.383 -135.449 -40.1253 -135.448 91.9361 133.94 -40.1261 133.939 -105.766 GPRESSURE: 2235400 -237.544 -87.4023 -108.027 -241.434 123.759 108.606 74.9449 130.395 -50.5321 PRESSAVG: 2235400 -30.7812 17.7129 -11.6485 17.7128 43.6422 -13.0818 -11.6485 -13.0818 -15.4456 GPRESSAVG: 2235400 -32.3375 16.5959 -11.9017 18.8193 43.9662 -13.3199 -12.3356 -12.8929 -13.6708 TIMING: 2235400 CPU: 6486.05, 0.00290636/step Wall: 6486.05, 0.00290636/step, 2.23193 hours remaining, 207.226562 MB of memory in use. ENERGY: 2235400 732.3989 2092.8777 1968.2614 112.9122 -206377.0562 17684.7845 0.0000 0.0000 34353.8749 -149431.9465 300.0209 -183785.8215 -149335.0627 298.5368 -91.0712 -54.7725 556355.6508 -0.8615 -0.6807 PRESSURE: 2235600 -166.466 24.3085 -62.5963 24.3079 -45.4639 198.189 -62.5949 198.188 148.408 GPRESSURE: 2235600 -45.973 80.2739 19.3683 39.5848 5.07348 195.998 -80.3601 253.636 78.5225 PRESSAVG: 2235600 -61.6139 -23.2137 -21.0417 -23.2137 95.0777 -16.9727 -21.0417 -16.9728 -0.0599182 GPRESSAVG: 2235600 -60.7908 -22.2348 -22.572 -23.3916 94.8936 -16.5379 -20.6504 -16.6467 -1.00691 TIMING: 2235600 CPU: 6486.63, 0.00291716/step Wall: 6486.63, 0.00291716/step, 2.24005 hours remaining, 207.226562 MB of memory in use. ENERGY: 2235600 705.8474 2076.4099 1935.2300 118.5961 -205958.4997 17682.1749 0.0000 0.0000 34155.0051 -149285.2361 298.2842 -183440.2412 -149189.3255 299.2358 -21.1742 12.5410 556714.0211 11.1346 11.0320 PRESSURE: 2235800 3.34134 27.9741 -82.4801 27.9746 -233.024 8.69563 -82.4803 8.69639 56.5635 GPRESSURE: 2235800 51.5538 82.5434 8.11885 -68.1032 -214.17 -26.6901 -91.1066 -7.59742 78.415 PRESSAVG: 2235800 18.3022 -12.5169 20.2583 -12.5169 -26.2355 37.15 20.2582 37.1501 -15.6827 GPRESSAVG: 2235800 18.1458 -11.8118 23.3586 -12.8501 -25.3579 37.4623 20.4559 36.3947 -16.8163 TIMING: 2235800 CPU: 6487.22, 0.00291167/step Wall: 6487.22, 0.00291167/step, 2.23568 hours remaining, 207.226562 MB of memory in use. ENERGY: 2235800 717.7326 2022.6237 1982.6045 104.1163 -206077.7493 17744.4184 0.0000 0.0000 34048.8087 -149457.4451 297.3567 -183506.2538 -149358.3483 299.0206 -57.7063 -28.0671 556783.2610 -7.8720 -8.0095 PRESSURE: 2236000 -268.598 93.2478 -10.4227 93.2474 14.554 -82.8463 -10.4209 -82.8458 -337.487 GPRESSURE: 2236000 -203.082 125.909 -76.7885 114.985 14.8593 -10.7916 32.5036 -162.667 -310.742 PRESSAVG: 2236000 10.3107 50.5527 26.8628 50.5527 -9.80187 28.5284 26.8628 28.5283 58.5333 GPRESSAVG: 2236000 9.03506 50.0173 26.005 53.2595 -10.3517 28.1834 26.5764 28.9944 59.8491 TIMING: 2236000 CPU: 6487.8, 0.00293613/step Wall: 6487.8, 0.00293613/step, 2.2543 hours remaining, 207.226562 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: 2236000 731.3977 2015.2201 1954.9594 105.9531 -206202.9886 17612.7355 0.0000 0.0000 34380.8785 -149401.8442 300.2568 -183782.7228 -149307.7602 298.8970 -197.1769 -166.3213 555985.6208 19.6807 19.5108 PRESSURE: 2236200 213.211 -34.4256 -114.828 -34.4272 -20.8265 212.93 -114.828 212.93 -107.876 GPRESSURE: 2236200 235.023 0.494313 -116.565 -15.226 67.7399 136.981 -111.108 206.148 -113.648 PRESSAVG: 2236200 -11.2747 64.6629 -25.0339 64.6629 -3.38753 15.7494 -25.0338 15.7495 0.547897 GPRESSAVG: 2236200 -10.0994 64.0931 -24.7924 63.8923 -4.40054 15.0342 -24.5584 16.0857 0.201895 TIMING: 2236200 CPU: 6488.38, 0.00290054/step Wall: 6488.38, 0.00290054/step, 2.22681 hours remaining, 207.226562 MB of memory in use. ENERGY: 2236200 745.0943 2012.2827 1954.0362 109.5057 -206255.1342 17924.8993 0.0000 0.0000 34030.7513 -149478.5647 297.1990 -183509.3161 -149380.6781 298.5039 28.1693 63.0385 556539.0787 -4.7048 -4.7660 LDB: ============= START OF LOAD BALANCING ============== 6491.85 LDB: ============== END OF LOAD BALANCING =============== 6491.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6491.85 LDB: ============= START OF LOAD BALANCING ============== 6492.14 LDB: Largest compute 4821 load 0.029781 is 25.3% of average load 0.117627 LDB: Average compute 0.001727 is 1.5% of average load 0.117627 LDB: TIME 6492.14 LOAD: AVG 0.117627 MAX 0.178053 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 6492.14 LOAD: AVG 0.117627 MAX 0.178053 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: TIME 6492.14 LOAD: AVG 0.117627 MAX 0.178053 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.805 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6492.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6492.15 PRESSURE: 2236400 364.339 21.6041 101.276 21.6035 246.595 -140.226 101.275 -140.226 -47.0163 GPRESSURE: 2236400 450.846 49.7237 81.5347 27.832 269.183 -142.438 87.2503 -142.06 -51.2014 PRESSAVG: 2236400 73.8161 50.9765 -36.7334 50.9765 -82.7467 -56.7738 -36.7334 -56.774 -38.8186 GPRESSAVG: 2236400 74.1552 53.3288 -39.1626 49.6404 -81.8225 -56.1562 -35.7684 -57.2262 -40.2742 TIMING: 2236400 CPU: 6488.97, 0.00295226/step Wall: 6488.97, 0.00295226/step, 2.26635 hours remaining, 204.902344 MB of memory in use. ENERGY: 2236400 722.5983 2028.5619 1961.7382 114.4569 -206460.4140 17973.2260 0.0000 0.0000 34340.6503 -149319.1823 299.9054 -183659.8326 -149206.5693 298.5100 187.9724 222.9425 554626.8670 -15.9164 -15.9805 PRESSURE: 2236600 -107.077 100.501 -35.907 100.501 -189.037 -180.553 -35.9071 -180.554 -105.802 GPRESSURE: 2236600 -31.8122 37.3907 -113.44 28.4896 -251.596 -191.211 10.2311 -229.574 -23.1884 PRESSAVG: 2236600 91.86 18.3845 -11.8726 18.3845 -61.3641 -8.17741 -11.8726 -8.17744 -10.356 GPRESSAVG: 2236600 91.7136 17.7137 -8.97923 17.4248 -63.0459 -7.34721 -13.9808 -9.20392 -9.05327 TIMING: 2236600 CPU: 6489.55, 0.00288512/step Wall: 6489.55, 0.00288512/step, 2.21465 hours remaining, 204.902344 MB of memory in use. ENERGY: 2236600 713.7925 2108.3087 1927.0517 124.8190 -206200.1671 17591.6014 0.0000 0.0000 34226.2165 -149508.3772 298.9061 -183734.5937 -149407.5309 298.2090 -133.9723 -102.1989 557450.1448 6.7133 6.5382 PRESSURE: 2236800 -43.4919 -84.4758 149.876 -84.4759 11.6115 191.355 149.876 191.356 -139.396 GPRESSURE: 2236800 25.2924 -89.1067 255.402 -134.426 -11.2093 117.281 131.307 168.789 -84.1052 PRESSAVG: 2236800 -24.7449 30.5875 17.8071 30.5874 2.27393 0.890803 17.8071 0.890846 23.6164 GPRESSAVG: 2236800 -26.3718 27.9137 16.66 32.7736 3.06653 0.0457936 18.5716 2.38908 24.3825 TIMING: 2236800 CPU: 6490.13, 0.00289284/step Wall: 6490.13, 0.00289284/step, 2.22041 hours remaining, 204.902344 MB of memory in use. ENERGY: 2236800 732.1557 2104.3277 1950.3918 126.7075 -206049.7842 17739.9559 0.0000 0.0000 34036.3766 -149359.8691 297.2481 -183396.2457 -149256.7535 298.1642 -57.0921 -23.3407 558094.2391 0.3818 0.3591 PRESSURE: 2237000 -212.488 71.9331 0.588443 71.9324 63.4448 24.845 0.58679 24.8449 -20.6444 GPRESSURE: 2237000 -187.181 97.1363 -52.9511 64.9418 125.611 -12.8671 7.19498 -24.062 -1.46403 PRESSAVG: 2237000 -16.1518 20.1528 2.36472 20.1528 43.8109 33.1972 2.36472 33.1972 -8.88711 GPRESSAVG: 2237000 -15.4665 21.7119 4.39434 19.7038 42.9778 33.0772 2.39845 32.4249 -8.99765 TIMING: 2237000 CPU: 6490.71, 0.00289042/step Wall: 6490.71, 0.00289042/step, 2.21839 hours remaining, 204.902344 MB of memory in use. ENERGY: 2237000 744.9824 2082.8076 1954.9312 112.3034 -206276.6582 17976.3009 0.0000 0.0000 34036.0543 -149369.2785 297.2453 -183405.3327 -149279.0095 297.7306 -56.5625 -21.0111 557845.1904 6.2573 6.1712 PRESSURE: 2237200 -186.908 -144.244 114.163 -144.243 143.497 -40.3193 114.163 -40.3194 -13.0907 GPRESSURE: 2237200 -146.931 -138.006 152.88 -170.54 142.497 14.1322 71.32 -49.6233 40.4854 PRESSAVG: 2237200 -28.021 15.6313 17.8813 15.6313 39.5264 -21.3253 17.8813 -21.3253 12.2337 GPRESSAVG: 2237200 -27.3464 17.7749 17.2546 14.5897 39.6751 -21.0476 17.9347 -22.0178 11.6438 TIMING: 2237200 CPU: 6491.28, 0.00288551/step Wall: 6491.28, 0.00288551/step, 2.21447 hours remaining, 204.902344 MB of memory in use. ENERGY: 2237200 728.5438 2143.8281 1973.3022 115.5429 -206193.2749 17631.8816 0.0000 0.0000 34227.4799 -149372.6963 298.9171 -183600.1762 -149273.1898 298.6350 -18.8340 12.0172 557793.1812 7.9130 7.9908 PRESSURE: 2237400 -219.099 107.958 -14.1237 107.957 -137.049 61.2828 -14.124 61.2838 -311.482 GPRESSURE: 2237400 -174.595 120.947 -7.44313 143.134 -97.0553 60.0608 -59.3633 60.2303 -304.955 PRESSAVG: 2237400 -13.9177 58.0485 46.9171 58.0485 -5.5867 -5.88137 46.9171 -5.88127 30.4087 GPRESSAVG: 2237400 -15.0037 54.2851 45.1139 57.8438 -5.46347 -5.42987 48.0221 -4.88906 30.7809 TIMING: 2237400 CPU: 6491.87, 0.00290712/step Wall: 6491.87, 0.00290712/step, 2.23089 hours remaining, 204.902344 MB of memory in use. ENERGY: 2237400 737.1145 2011.2634 1955.9602 123.8989 -206372.7551 17829.4396 0.0000 0.0000 34336.2356 -149378.8430 299.8669 -183715.0786 -149283.0895 299.1519 -222.5434 -192.2018 559416.1044 3.6348 3.4379 PRESSURE: 2237600 -152.67 -86.04 68.5195 -86.0399 -218.872 106.777 68.5184 106.778 -127.94 GPRESSURE: 2237600 -139.944 -36.6646 250.681 -56.4773 -187.217 65.9681 25.906 22.8234 -62.895 PRESSAVG: 2237600 -5.38732 19.3037 -0.764101 19.3037 -15.7693 10.9043 -0.764145 10.9043 -20.8031 GPRESSAVG: 2237600 -4.38611 20.6539 -0.197126 19.6973 -16.8374 10.3161 -1.67949 10.2121 -20.4817 TIMING: 2237600 CPU: 6492.44, 0.00288863/step Wall: 6492.44, 0.00288863/step, 2.21654 hours remaining, 204.902344 MB of memory in use. ENERGY: 2237600 753.2875 2080.8025 1972.4338 108.4551 -206229.4203 17666.2592 0.0000 0.0000 34264.4304 -149383.7518 299.2398 -183648.1822 -149280.2320 299.0053 -166.4940 -130.0185 557989.3686 -13.9866 -13.9017 PRESSURE: 2237800 -105.901 145.514 -90.0169 145.515 -198.58 -169.955 -90.0164 -169.955 -17.9195 GPRESSURE: 2237800 -87.2798 116.779 -153.025 165.413 -137.263 -165.934 -34.0153 -174.568 -3.7712 PRESSAVG: 2237800 -101.377 -14.9186 -63.5003 -14.9186 2.55988 -45.0776 -63.5002 -45.0776 77.5764 GPRESSAVG: 2237800 -101.871 -15.2668 -62.162 -14.8888 3.92818 -45.0757 -62.8949 -44.2553 76.4706 TIMING: 2237800 CPU: 6493.02, 0.00288097/step Wall: 6493.02, 0.00288097/step, 2.21051 hours remaining, 204.902344 MB of memory in use. ENERGY: 2237800 780.3940 2105.5302 1992.2500 117.9920 -206558.4529 17833.0895 0.0000 0.0000 34250.3291 -149478.8682 299.1166 -183729.1973 -149372.2911 298.9591 -107.4669 -76.1045 557530.1056 -7.0802 -7.1574 PRESSURE: 2238000 9.53249 -22.721 46.457 -22.72 137.675 -182.756 46.4575 -182.755 150.527 GPRESSURE: 2238000 47.2686 -65.6436 76.4406 -44.9746 196.768 -122.744 8.39669 -91.3703 159.795 PRESSAVG: 2238000 -34.3575 -26.4818 12.088 -26.4819 20.4224 14.4805 12.0881 14.4807 41.0501 GPRESSAVG: 2238000 -32.9382 -24.2341 9.86841 -25.3811 19.1309 13.4895 13.7239 14.6069 41.2101 TIMING: 2238000 CPU: 6493.6, 0.00290636/step Wall: 6493.6, 0.00290636/step, 2.22982 hours remaining, 204.902344 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: 2238000 725.6279 2135.4142 1952.7698 123.4223 -206492.8668 18022.4995 0.0000 0.0000 34043.6359 -149489.4972 297.3115 -183533.1330 -149397.7709 298.4158 99.2448 134.6108 557982.2189 9.0383 9.1342 PRESSURE: 2238200 -223.883 -7.6327 195.548 -7.63301 -252.379 51.5843 195.547 51.5849 -280.505 GPRESSURE: 2238200 -268.14 -13.5308 168.475 9.12645 -178.033 131.965 205.273 -34.4994 -215.214 PRESSAVG: 2238200 28.0545 22.4189 30.4656 22.419 -4.66891 11.354 30.4656 11.3539 -42.1862 GPRESSAVG: 2238200 26.5242 22.3477 34.3919 20.6294 -3.99958 11.666 28.8289 11.0292 -41.4467 TIMING: 2238200 CPU: 6494.18, 0.00288165/step Wall: 6494.18, 0.00288165/step, 2.21071 hours remaining, 204.902344 MB of memory in use. ENERGY: 2238200 755.9538 2059.9025 1966.1873 111.5373 -205972.1502 17512.5641 0.0000 0.0000 34125.1615 -149440.8437 298.0235 -183566.0052 -149341.4269 298.0369 -252.2557 -220.4625 558966.0022 -6.2669 -6.3074 PRESSURE: 2238400 -173.514 65.3812 25.5222 65.38 -30.7967 89.2989 25.5212 89.2995 -205.986 GPRESSURE: 2238400 -120.552 94.738 71.9252 22.1651 14.2803 69.4004 45.1214 108.81 -199.377 PRESSAVG: 2238400 -46.8097 7.35349 14.4084 7.35343 33.6515 31.8593 14.4084 31.8592 -46.2587 GPRESSAVG: 2238400 -45.5903 5.18423 10.8941 8.88842 32.9754 33.9602 15.0937 29.8668 -46.4113 TIMING: 2238400 CPU: 6494.75, 0.00288795/step Wall: 6494.75, 0.00288795/step, 2.21538 hours remaining, 204.902344 MB of memory in use. ENERGY: 2238400 726.1932 2053.7878 1997.0280 115.9230 -206355.1251 17783.2502 0.0000 0.0000 34241.8798 -149437.0631 299.0429 -183678.9429 -149333.1584 298.2126 -136.7654 -101.8830 558153.7696 -19.8056 -19.6754 PRESSURE: 2238600 -199.924 3.73335 -58.0447 3.7329 -153.094 32.4143 -58.044 32.4151 -43.4657 GPRESSURE: 2238600 -153.207 -19.0288 18.3453 -3.1252 -112.664 37.3451 -109.333 -78.7351 -21.3927 PRESSAVG: 2238600 -17.5537 4.26027 -49.1402 4.26018 47.0266 47.9687 -49.1402 47.9688 -10.9314 GPRESSAVG: 2238600 -17.3835 4.52256 -46.3228 2.76879 47.8867 46.8947 -49.892 49.5335 -11.5324 TIMING: 2238600 CPU: 6495.33, 0.0028964/step Wall: 6495.33, 0.0028964/step, 2.2217 hours remaining, 204.902344 MB of memory in use. ENERGY: 2238600 717.0909 2021.1965 1978.7614 113.8276 -206379.5529 17675.2801 0.0000 0.0000 34307.7638 -149565.6324 299.6182 -183873.3962 -149465.7842 298.4808 -132.1613 -95.7548 555893.4460 6.1805 6.3236 PRESSURE: 2238800 -395.015 107.792 -7.11191 107.793 -129.024 53.6057 -7.11078 53.6036 2.104 GPRESSURE: 2238800 -353.36 137.129 8.0735 39.508 -93.6743 106.599 31.2705 44.1749 19.6576 PRESSAVG: 2238800 -47.5717 -35.6428 -9.92472 -35.6428 40.3708 52.1319 -9.92464 52.1318 14.4324 GPRESSAVG: 2238800 -48.6403 -35.2553 -10.3162 -35.515 40.9902 51.7617 -9.10616 52.9189 14.771 TIMING: 2238800 CPU: 6495.91, 0.0028814/step Wall: 6495.91, 0.0028814/step, 2.21003 hours remaining, 204.902344 MB of memory in use. ENERGY: 2238800 734.4885 2085.5216 1964.6693 115.4570 -205812.1663 17510.3456 0.0000 0.0000 34103.2067 -149298.4776 297.8318 -183401.6842 -149204.7779 298.5548 -173.9781 -142.4590 557379.3014 2.4105 2.3737 PRESSURE: 2239000 -183.726 41.2306 -5.92495 41.2313 -71.0432 39.0653 -5.92403 39.066 -212.557 GPRESSURE: 2239000 -105.035 164.37 6.64106 54.1382 -27.4008 -65.2834 -4.37622 79.9391 -234.773 PRESSAVG: 2239000 -5.2124 13.0756 -29.6654 13.0755 22.0276 14.8908 -29.6653 14.8907 -11.392 GPRESSAVG: 2239000 -5.20852 11.8402 -32.2139 13.2891 21.9249 14.9346 -29.3963 15.6642 -11.2366 TIMING: 2239000 CPU: 6496.49, 0.00288143/step Wall: 6496.49, 0.00288143/step, 2.2099 hours remaining, 204.902344 MB of memory in use. ENERGY: 2239000 733.8896 2065.2264 1982.2395 116.5835 -205934.4318 17602.1018 0.0000 0.0000 34149.9160 -149284.4750 298.2397 -183434.3910 -149187.2691 298.2507 -155.7755 -122.4030 557697.0236 1.8077 1.8266 PRESSURE: 2239200 -323.063 15.8966 -94.5849 15.8959 -187.429 -120.214 -94.585 -120.214 -10.9394 GPRESSURE: 2239200 -251.027 -24.1433 -81.8291 14.2423 -153.771 -64.2425 -81.6036 -219.444 -7.57455 PRESSAVG: 2239200 -52.8809 -41.0082 21.6486 -41.0083 37.8162 10.0925 21.6487 10.0925 -12.8865 GPRESSAVG: 2239200 -53.3178 -40.2162 23.3823 -40.7914 38.1687 7.59076 20.4225 11.2507 -12.5648 TIMING: 2239200 CPU: 6497.06, 0.0028848/step Wall: 6497.06, 0.0028848/step, 2.21232 hours remaining, 204.902344 MB of memory in use. ENERGY: 2239200 744.8915 2095.6781 1965.1413 122.1058 -205960.3749 17484.6704 0.0000 0.0000 34260.7991 -149287.0888 299.2081 -183547.8879 -149190.4306 299.0686 -173.8105 -137.4574 558647.2062 -9.3171 -9.2380 PRESSURE: 2239400 -155.938 -104.492 -68.34 -104.493 -173.618 -92.9825 -68.3399 -92.9821 39.0048 GPRESSURE: 2239400 -186.624 -164.138 -79.82 -87.6048 -115.999 -34.8975 -72.5182 -61.6633 104.885 PRESSAVG: 2239400 -13.9732 9.05572 34.8329 9.05567 3.42249 -12.9777 34.8329 -12.9778 9.83983 GPRESSAVG: 2239400 -12.4386 10.8289 34.996 8.0974 2.73024 -11.2742 33.5473 -14.3621 9.38544 TIMING: 2239400 CPU: 6497.64, 0.00289137/step Wall: 6497.64, 0.00289137/step, 2.2172 hours remaining, 204.902344 MB of memory in use. ENERGY: 2239400 776.3884 2109.7305 1966.8840 113.6312 -206095.8225 17673.5839 0.0000 0.0000 34207.2889 -149248.3157 298.7408 -183455.6046 -149153.5812 299.4254 -96.8504 -65.9128 557982.2708 -0.2369 -0.1076 PRESSURE: 2239600 -231.144 -9.59788 -85.6132 -9.59769 20.6965 5.23689 -85.614 5.23534 -258.78 GPRESSURE: 2239600 -203.406 34.6782 -122.1 12.6247 68.4809 -66.0323 -126.679 131.907 -223.7 PRESSAVG: 2239600 26.9481 40.1208 11.1556 40.1207 1.87837 8.32149 11.1556 8.32149 -4.28416 GPRESSAVG: 2239600 26.926 38.7979 11.9796 40.1565 2.07285 9.48531 11.6909 8.55186 -5.12161 TIMING: 2239600 CPU: 6498.22, 0.00289157/step Wall: 6498.22, 0.00289157/step, 2.21719 hours remaining, 204.902344 MB of memory in use. ENERGY: 2239600 797.0937 2080.7168 1968.0448 106.5253 -206187.6215 17712.6222 0.0000 0.0000 34324.2951 -149198.3236 299.7626 -183522.6187 -149099.6979 299.2284 -156.4091 -119.5415 558483.0763 8.1808 7.9591 PRESSURE: 2239800 -275.576 -104.805 40.1866 -104.804 -379.348 -57.207 40.1867 -57.2067 -26.1318 GPRESSURE: 2239800 -264.295 -138.731 65.7343 -217.881 -328.409 -40.7379 -1.86764 -29.2438 12.5776 PRESSAVG: 2239800 -56.4625 5.31516 -21.2145 5.31522 97.755 14.8871 -21.2145 14.8873 -53.4118 GPRESSAVG: 2239800 -56.8419 4.46539 -22.768 4.443 97.766 16.394 -20.0733 11.7536 -52.3063 TIMING: 2239800 CPU: 6498.8, 0.00289387/step Wall: 6498.8, 0.00289387/step, 2.2188 hours remaining, 204.902344 MB of memory in use. ENERGY: 2239800 760.4619 2110.3337 1983.9864 115.5631 -205732.3534 17480.5350 0.0000 0.0000 34349.3668 -148932.1064 299.9816 -183281.4732 -148839.8273 299.1044 -227.0185 -193.3754 559217.1428 -4.0398 -3.7941 PRESSURE: 2240000 -190.579 83.0801 119.88 83.0806 -118.992 -16.3814 119.88 -16.3814 -33.7879 GPRESSURE: 2240000 -118.574 83.6386 104.215 107.119 -106.236 31.607 58.9711 -85.1578 -19.8312 PRESSAVG: 2240000 -65.6363 -2.50513 14.4459 -2.50502 35.7196 31.9262 14.4458 31.9263 -7.03519 GPRESSAVG: 2240000 -65.5581 -0.241204 15.3633 -3.00566 35.3477 30.0418 13.3034 34.4021 -7.80342 TIMING: 2240000 CPU: 6499.38, 0.00289512/step Wall: 6499.38, 0.00289512/step, 2.21959 hours remaining, 204.902344 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: 2240000 760.7270 2072.7979 1998.8926 116.6443 -205757.2052 17639.0455 0.0000 0.0000 34247.4383 -148921.6598 299.0914 -183169.0980 -148820.2605 300.1825 -114.4531 -81.5473 559578.3901 -12.3173 -12.6713 PRESSURE: 2240200 -428.773 -30.4653 104.042 -30.4641 -355.538 102.669 104.04 102.669 -250.549 GPRESSURE: 2240200 -408.554 20.9936 108.626 -62.331 -332.174 63.3767 118.11 134.803 -191.923 PRESSAVG: 2240200 -17.3841 42.7541 34.0734 42.7542 22.0652 -50.5075 34.0734 -50.5077 45.0646 GPRESSAVG: 2240200 -17.6272 41.4099 34.0143 43.7709 22.7359 -49.4221 34.7288 -51.1961 44.6924 TIMING: 2240200 CPU: 6499.96, 0.00288763/step Wall: 6499.96, 0.00288763/step, 2.21369 hours remaining, 204.902344 MB of memory in use. ENERGY: 2240200 749.3164 2120.3205 1962.9000 121.1944 -205231.0067 17200.8427 0.0000 0.0000 34195.2348 -148881.1979 298.6355 -183076.4327 -148784.2196 299.2130 -344.9534 -310.8840 559034.3953 16.5819 16.6004 LDB: ============= START OF LOAD BALANCING ============== 6503.42 LDB: ============== END OF LOAD BALANCING =============== 6503.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6503.42 LDB: ============= START OF LOAD BALANCING ============== 6503.71 LDB: Largest compute 4821 load 0.030043 is 25.5% of average load 0.117669 LDB: Average compute 0.001728 is 1.5% of average load 0.117669 LDB: TIME 6503.72 LOAD: AVG 0.117669 MAX 0.178464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 6503.72 LOAD: AVG 0.117669 MAX 0.178464 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 6503.72 LOAD: AVG 0.117669 MAX 0.178464 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6503.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6503.72 PRESSURE: 2240400 -159.815 122.633 -79.1238 122.635 61.0607 10.0433 -79.1222 10.0413 176.421 GPRESSURE: 2240400 -56.6365 85.1865 -79.4328 113.854 49.1958 39.1614 -24.6268 -9.09158 188.386 PRESSAVG: 2240400 -42.4245 -49.7175 -25.6444 -49.7175 -4.88061 6.81057 -25.6442 6.81048 9.19368 GPRESSAVG: 2240400 -42.6071 -49.495 -26.9165 -49.9635 -5.80235 6.18417 -25.5066 6.40209 10.308 TIMING: 2240400 CPU: 6500.55, 0.00296576/step Wall: 6500.55, 0.00296576/step, 2.27342 hours remaining, 206.386719 MB of memory in use. ENERGY: 2240400 769.8543 2107.0233 1972.6181 130.7602 -205665.1481 17713.1937 0.0000 0.0000 34278.1264 -148693.5722 299.3594 -182971.6985 -148596.4716 299.8259 25.8887 60.3150 556205.7793 -12.7038 -12.7005 PRESSURE: 2240600 219.703 -79.6087 6.73834 -79.6086 -29.9797 61.2582 6.73921 61.2578 248.354 GPRESSURE: 2240600 204.986 -43.5333 7.42662 -124.573 25.9467 28.8405 58.212 45.3651 305.43 PRESSAVG: 2240600 12.2325 12.4949 30.2191 12.4949 -25.5327 16.6112 30.219 16.6111 30.8174 GPRESSAVG: 2240600 12.6173 11.3426 29.8575 12.3397 -24.7114 16.4825 31.9097 17.8928 29.962 TIMING: 2240600 CPU: 6501.13, 0.00288214/step Wall: 6501.13, 0.00288214/step, 2.20916 hours remaining, 206.628906 MB of memory in use. ENERGY: 2240600 752.4925 2167.6977 1968.5454 118.2712 -205570.3002 17673.2450 0.0000 0.0000 34191.2141 -148698.8343 298.6004 -182890.0483 -148603.3002 300.0695 146.0257 178.7875 556487.5803 5.8391 5.9560 PRESSURE: 2240800 -80.1137 -73.3921 -119.682 -73.3913 -65.1391 19.7152 -119.683 19.7161 -314.27 GPRESSURE: 2240800 -17.9599 -7.11927 -109.861 -165.342 -23.0573 8.94076 -80.012 58.6191 -310.127 PRESSAVG: 2240800 43.9551 25.904 -32.7032 25.9041 -18.8741 33.4139 -32.7032 33.4139 7.94046 GPRESSAVG: 2240800 43.1082 28.1803 -31.338 24.5516 -17.8047 33.5802 -33.4313 33.3622 7.94932 TIMING: 2240800 CPU: 6501.7, 0.00288719/step Wall: 6501.7, 0.00288719/step, 2.21287 hours remaining, 206.628906 MB of memory in use. ENERGY: 2240800 748.1618 2078.9563 1931.6308 125.5085 -205758.7994 17491.1050 0.0000 0.0000 34378.8266 -149004.6104 300.2388 -183383.4371 -148911.2725 300.1905 -153.1741 -117.0479 556149.7094 11.0071 11.0843 PRESSURE: 2241000 74.7158 -96.6269 138.806 -96.6263 274.885 2.25008 138.807 2.25034 -19.4606 GPRESSURE: 2241000 58.3709 -73.8706 158.017 -56.5123 380.724 82.4104 69.5576 -46.6911 -14.3891 PRESSAVG: 2241000 14.9271 -24.0131 -12.5224 -24.0129 -71.0006 34.6518 -12.5224 34.6518 10.8052 GPRESSAVG: 2241000 15.1016 -22.4994 -11.0733 -23.2276 -72.0701 33.025 -12.4238 33.0909 11.4924 TIMING: 2241000 CPU: 6502.29, 0.00291925/step Wall: 6502.29, 0.00291925/step, 2.23728 hours remaining, 206.628906 MB of memory in use. ENERGY: 2241000 722.4234 2115.0631 1942.7245 100.1917 -206043.9924 17708.5672 0.0000 0.0000 34350.1210 -149104.9015 299.9882 -183455.0225 -149001.3716 299.5962 110.0466 141.5685 554750.9049 -15.0895 -15.1587 PRESSURE: 2241200 -168.459 26.2067 -90.539 26.2051 60.5237 94.2289 -90.5388 94.2276 -12.4673 GPRESSURE: 2241200 -188.208 -15.4566 -130.546 9.99291 72.7097 93.8248 -88.5483 68.4639 72.3827 PRESSAVG: 2241200 -7.97963 13.2759 47.9142 13.2759 12.8992 29.8584 47.9142 29.8585 13.7182 GPRESSAVG: 2241200 -8.77801 11.7166 47.0755 14.6693 14.3025 29.7972 47.3762 32.4428 12.609 TIMING: 2241200 CPU: 6502.86, 0.00287607/step Wall: 6502.86, 0.00287607/step, 2.20403 hours remaining, 206.628906 MB of memory in use. ENERGY: 2241200 743.1083 2095.4036 1981.3495 109.7405 -205792.5010 17438.8964 0.0000 0.0000 34173.2434 -149250.7594 298.4434 -183424.0029 -149155.9582 298.8820 -40.1341 -14.3719 556460.4250 6.2126 6.0445 PRESSURE: 2241400 -69.6192 -112.913 -133.002 -112.915 -127.412 117.775 -133.003 117.773 213.708 GPRESSURE: 2241400 -47.0685 -113.138 -123.774 -114.898 -76.5047 59.8786 -148.782 178.272 244.53 PRESSAVG: 2241400 -17.709 -7.9347 -55.6746 -7.93472 21.3041 60.3489 -55.6745 60.3488 -34.8894 GPRESSAVG: 2241400 -17.9065 -7.76461 -53.9681 -10.2816 19.9278 63.0898 -57.0917 57.5924 -32.7796 TIMING: 2241400 CPU: 6503.44, 0.00288435/step Wall: 6503.44, 0.00288435/step, 2.21021 hours remaining, 206.628906 MB of memory in use. ENERGY: 2241400 759.8544 2142.8812 1957.6211 115.3799 -206214.0247 17806.6206 0.0000 0.0000 34273.4012 -149158.2663 299.3181 -183431.6675 -149072.2495 299.4973 5.5588 40.3188 557197.9208 -10.4314 -10.2528 PRESSURE: 2241600 26.4222 45.9425 -10.5052 45.9407 -118.154 -116.558 -10.5043 -116.558 -111.852 GPRESSURE: 2241600 20.0956 27.256 -33.0457 35.2532 -111.767 -50.7528 8.62008 -176.375 -3.62542 PRESSAVG: 2241600 -17.8193 15.6787 -30.7132 15.6786 43.3253 64.5355 -30.7133 64.5354 -0.210567 GPRESSAVG: 2241600 -17.6428 14.9136 -32.5946 16.4215 43.9775 63.1024 -29.0013 65.1259 -1.16943 TIMING: 2241600 CPU: 6504.02, 0.00290055/step Wall: 6504.02, 0.00290055/step, 2.22247 hours remaining, 206.628906 MB of memory in use. ENERGY: 2241600 771.2817 2025.1529 1958.1592 124.6740 -206204.7016 17910.3700 0.0000 0.0000 34358.0411 -149057.0226 300.0573 -183415.0637 -148948.0384 299.2336 -67.8612 -31.7657 558562.2460 8.4318 8.3884 PRESSURE: 2241800 -274.175 50.1098 -66.1526 50.1102 159.856 46.9312 -66.1521 46.9323 -32.6791 GPRESSURE: 2241800 -252.7 174.335 -94.7456 -27.7513 252.326 126.153 -121.038 33.4925 -38.4829 PRESSAVG: 2241800 -25.2888 -8.91253 4.20672 -8.91246 -78.7145 41.7336 4.20663 41.7338 77.4192 GPRESSAVG: 2241800 -25.1547 -9.20016 1.89183 -9.43339 -79.4518 42.7345 3.27116 42.1638 78.1368 TIMING: 2241800 CPU: 6504.6, 0.00289089/step Wall: 6504.6, 0.00289089/step, 2.2149 hours remaining, 206.628906 MB of memory in use. ENERGY: 2241800 755.3213 2113.1188 1919.3512 122.0644 -206116.2164 17795.5066 0.0000 0.0000 34283.9755 -149126.8786 299.4105 -183410.8540 -149027.7502 299.3285 -48.9991 -12.9520 559150.9914 -8.8614 -8.8232 PRESSURE: 2242000 -136.767 50.2993 -218.608 50.3003 -213.46 -111.15 -218.609 -111.15 -348.516 GPRESSURE: 2242000 -149.768 53.146 -186.085 89.8855 -141.286 -63.3817 -234.417 -95.2393 -304.307 PRESSAVG: 2242000 47.6247 3.00623 -66.0592 3.00613 37.3393 -1.10137 -66.0591 -1.10144 -36.7343 GPRESSAVG: 2242000 47.7351 3.41375 -63.5529 5.74671 38.0358 -1.85269 -66.7964 0.494171 -38.1884 TIMING: 2242000 CPU: 6505.18, 0.00289763/step Wall: 6505.18, 0.00289763/step, 2.21991 hours remaining, 206.628906 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: 2242000 772.0555 2157.5530 1963.7459 124.6896 -205935.5442 17516.9983 0.0000 0.0000 34236.9915 -149163.5103 299.0002 -183400.5019 -149065.1821 299.3068 -232.9142 -198.4536 559321.3624 16.0765 15.8609 PRESSURE: 2242200 67.228 -56.5837 105.204 -56.5836 -181.772 71.6212 105.204 71.6188 97.4489 GPRESSURE: 2242200 88.8251 -66.0358 175.55 -64.0931 -176.105 -15.699 113.932 75.7746 162.3 PRESSAVG: 2242200 -37.8132 20.1061 -60.0698 20.106 39.1399 -45.3545 -60.0699 -45.3545 24.341 GPRESSAVG: 2242200 -37.2834 19.1258 -60.5273 20.0556 37.523 -44.076 -59.7086 -49.3334 25.4054 TIMING: 2242200 CPU: 6505.76, 0.00289441/step Wall: 6505.76, 0.00289441/step, 2.21728 hours remaining, 206.628906 MB of memory in use. ENERGY: 2242200 742.6337 2063.5948 1983.1533 117.1383 -206178.9688 17966.3126 0.0000 0.0000 34079.6112 -149226.5247 297.6257 -183306.1360 -149128.7060 298.7859 -5.6983 25.0068 557632.0647 8.5559 8.5483 PRESSURE: 2242400 115.988 51.4263 -93.5113 51.4253 116.708 184.337 -93.5119 184.338 265.633 GPRESSURE: 2242400 104.154 -24.1021 -91.8453 99.1222 190.829 146.599 -65.6911 179.13 302.127 PRESSAVG: 2242400 -8.24178 18.9092 2.43198 18.9092 -1.02738 -14.3906 2.43206 -14.3907 16.5838 GPRESSAVG: 2242400 -8.6381 19.9026 2.60375 17.0113 1.20445 -14.7056 2.39713 -13.302 14.8668 TIMING: 2242400 CPU: 6506.34, 0.00290603/step Wall: 6506.34, 0.00290603/step, 2.22602 hours remaining, 206.753906 MB of memory in use. ENERGY: 2242400 740.9119 2087.0795 1960.7292 112.1516 -206508.8147 18082.8010 0.0000 0.0000 34385.7575 -149139.3840 300.2994 -183525.1415 -149048.9862 299.4879 166.1098 199.0367 555719.3527 2.4382 2.4777 PRESSURE: 2242600 -136.721 -43.6284 -142.436 -43.6275 24.7931 -154.567 -142.436 -154.567 -148.773 GPRESSURE: 2242600 -147.513 -89.1376 -181.951 -33.4979 106.378 -153.707 -133.989 -157.31 -124.889 PRESSAVG: 2242600 14.7991 -41.0161 -31.4664 -41.0161 1.02203 -24.2248 -31.4665 -24.2249 0.178547 GPRESSAVG: 2242600 14.7539 -39.532 -31.6482 -41.1821 -0.404489 -26.9007 -28.9396 -22.0847 1.62235 TIMING: 2242600 CPU: 6506.92, 0.00290143/step Wall: 6506.92, 0.00290143/step, 2.22234 hours remaining, 206.957031 MB of memory in use. ENERGY: 2242600 751.0589 2153.7545 1973.5398 114.6559 -206099.1694 17749.6904 0.0000 0.0000 34299.1067 -149057.3632 299.5426 -183356.4699 -148960.8521 300.1964 -86.9003 -55.3415 557683.4246 5.3332 5.3239 PRESSURE: 2242800 -110.24 -28.8416 -137.924 -28.8427 -101.427 -84.2541 -137.924 -84.2542 -48.1131 GPRESSURE: 2242800 -111.704 -67.42 -74.7978 -16.3747 -40.6296 -117.65 -116.045 -54.9129 3.71533 PRESSAVG: 2242800 -6.03354 -49.4975 0.957263 -49.4975 16.244 -27.7089 0.957309 -27.7089 -7.19071 GPRESSAVG: 2242800 -6.62064 -50.9296 -0.123718 -47.4461 17.2506 -26.9812 1.64768 -28.9542 -7.90367 TIMING: 2242800 CPU: 6507.49, 0.00288637/step Wall: 6507.49, 0.00288637/step, 2.21064 hours remaining, 206.957031 MB of memory in use. ENERGY: 2242800 730.4852 2088.5106 1953.2054 116.8522 -205931.3698 17570.0957 0.0000 0.0000 34350.3596 -149121.8612 299.9902 -183472.2209 -149027.7755 299.6741 -86.5933 -49.5395 557665.6783 1.0066 0.9088 PRESSURE: 2243000 -51.3095 -37.3227 -140.988 -37.3245 -3.93773 -120.409 -140.989 -120.408 -63.3338 GPRESSURE: 2243000 8.05033 91.6457 -78.2233 -81.6614 -5.57111 -144.064 -84.9965 -75.116 -23.0807 PRESSAVG: 2243000 0.859466 -30.4061 36.0048 -30.4061 -15.8589 -13.7997 36.0048 -13.7997 2.98332 GPRESSAVG: 2243000 -0.141912 -31.3268 38.5613 -30.7331 -15.3064 -13.8027 31.9963 -12.2842 3.22146 TIMING: 2243000 CPU: 6508.08, 0.00290543/step Wall: 6508.08, 0.00290543/step, 2.22508 hours remaining, 206.957031 MB of memory in use. ENERGY: 2243000 735.9117 2088.5434 1964.3753 109.9129 -205757.6994 17631.1443 0.0000 0.0000 34265.5072 -148962.3046 299.2492 -183227.8118 -148869.8472 299.7786 -39.5270 -6.8672 557917.7011 -4.0054 -4.0756 PRESSURE: 2243200 -4.39432 -88.3579 23.5917 -88.3581 -148.008 182.748 23.592 182.747 72.9976 GPRESSURE: 2243200 31.9928 -91.5867 64.5159 -26.7013 -101.657 156.914 -34.1747 220.096 100.114 PRESSAVG: 2243200 19.8738 -70.6702 5.06425 -70.6702 64.019 -81.2165 5.06425 -81.2165 -38.7107 GPRESSAVG: 2243200 20.0377 -69.0036 0.86915 -69.6954 64.0675 -79.376 8.31832 -83.5878 -38.6387 TIMING: 2243200 CPU: 6508.66, 0.00291578/step Wall: 6508.66, 0.00291578/step, 2.23284 hours remaining, 206.957031 MB of memory in use. ENERGY: 2243200 755.0033 2065.9800 1973.3250 112.6715 -205862.9883 17971.1299 0.0000 0.0000 34148.2664 -148836.6123 298.2253 -182984.8787 -148736.9220 300.0429 -26.4683 10.1499 560147.4909 15.0607 15.1555 PRESSURE: 2243400 105.509 60.2092 30.8396 60.2078 33.2105 51.3213 30.8415 51.3213 191.71 GPRESSURE: 2243400 165.235 27.7442 6.99679 106.392 81.6124 51.4063 58.9504 80.0225 183.123 PRESSAVG: 2243400 -12.5051 17.5093 -12.2947 17.5092 5.61374 -3.43685 -12.2948 -3.43686 -5.84793 GPRESSAVG: 2243400 -11.7587 15.1377 -10.8429 15.8758 5.62685 -4.68121 -12.3008 -1.78073 -7.26498 TIMING: 2243400 CPU: 6509.24, 0.00289973/step Wall: 6509.24, 0.00289973/step, 2.22039 hours remaining, 206.957031 MB of memory in use. ENERGY: 2243400 733.3873 2055.7514 1985.3502 97.0554 -205911.9766 17889.0313 0.0000 0.0000 34370.6833 -148780.7177 300.1677 -183151.4010 -148684.6705 300.2835 110.1434 143.3237 556187.9411 -4.2464 -4.4656 PRESSURE: 2243600 206.725 108.853 -46.0622 108.854 -91.5072 -31.891 -46.0618 -31.8902 167.468 GPRESSURE: 2243600 250.229 74.4918 -91.7694 91.1405 -70.612 -76.7088 22.9868 -6.82017 203.945 PRESSAVG: 2243600 -58.7158 -7.59655 -17.6313 -7.59657 -4.93217 48.0025 -17.6313 48.0025 73.671 GPRESSAVG: 2243600 -59.0818 -7.07265 -18.3308 -7.08138 -6.14724 47.3403 -18.7314 47.998 75.017 TIMING: 2243600 CPU: 6509.82, 0.00290031/step Wall: 6509.82, 0.00290031/step, 2.22067 hours remaining, 206.957031 MB of memory in use. ENERGY: 2243600 711.7413 2062.4367 1955.0320 121.3161 -205798.3097 17760.1789 0.0000 0.0000 34326.7319 -148860.8728 299.7839 -183187.6048 -148763.0969 300.4137 94.2287 127.8541 557209.1470 3.3410 3.2627 PRESSURE: 2243800 208.203 107.204 117.991 107.203 64.0711 50.963 117.991 50.9634 177.375 GPRESSURE: 2243800 185.499 112.85 100.913 57.4761 147.117 -39.0432 133.219 57.2596 224.9 PRESSAVG: 2243800 -24.5755 2.98334 21.411 2.98339 6.29765 18.1121 21.4111 18.1121 51.5351 GPRESSAVG: 2243800 -24.4686 2.5624 23.2235 4.69228 5.97523 19.1289 21.7066 15.8542 51.6281 TIMING: 2243800 CPU: 6510.4, 0.00290195/step Wall: 6510.4, 0.00290195/step, 2.22176 hours remaining, 206.957031 MB of memory in use. ENERGY: 2243800 732.3549 2072.8356 1954.6968 102.0564 -206443.9274 18069.7322 0.0000 0.0000 34328.8010 -149183.4504 299.8020 -183512.2515 -149084.0681 299.9591 149.8830 185.8386 556330.3015 11.0858 11.0449 PRESSURE: 2244000 116.448 -56.3531 90.9213 -56.3522 167.108 -330.471 90.9207 -330.47 192.555 GPRESSURE: 2244000 162.565 -68.3286 26.391 -22.4254 163.557 -294.484 60.5791 -329.591 255.192 PRESSAVG: 2244000 -5.45633 32.7364 0.151119 32.7364 10.0512 -62.7018 0.150997 -62.7018 -2.00522 GPRESSAVG: 2244000 -5.21997 33.9367 -1.11543 29.8463 9.78471 -62.1461 2.35915 -60.9209 -1.8842 TIMING: 2244000 CPU: 6510.98, 0.00288671/step Wall: 6510.98, 0.00288671/step, 2.20994 hours remaining, 206.957031 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: 2244000 765.6446 2104.8321 1950.2524 117.9824 -205892.2907 18054.9873 0.0000 0.0000 33951.3198 -148947.2721 296.5053 -182898.5919 -148858.8532 299.1548 158.7034 193.7715 557972.3185 0.8632 0.8935 PRESSURE: 2244200 -342.86 -89.1739 55.6978 -89.1725 -10.2301 -105.732 55.6978 -105.733 -74.2021 GPRESSURE: 2244200 -319.599 -105.887 89.4176 -8.08793 34.2387 -130.448 0.0887925 -93.3802 -38.6524 PRESSAVG: 2244200 -49.8712 -32.6529 49.0489 -32.6528 -6.45597 -15.5384 49.0489 -15.5384 30.6855 GPRESSAVG: 2244200 -50.8671 -34.3735 51.3813 -31.466 -5.87196 -17.0346 46.7594 -16.0986 30.2544 TIMING: 2244200 CPU: 6511.56, 0.00289575/step Wall: 6511.56, 0.00289575/step, 2.2167 hours remaining, 206.957031 MB of memory in use. ENERGY: 2244200 747.3391 2110.4298 1944.8742 107.5381 -205689.8117 17598.9653 0.0000 0.0000 34207.6995 -148972.9658 298.7443 -183180.6652 -148881.2234 300.4676 -142.4307 -108.0041 557763.6628 -8.5472 -8.8282 LDB: ============= START OF LOAD BALANCING ============== 6515.02 LDB: ============== END OF LOAD BALANCING =============== 6515.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6515.02 LDB: ============= START OF LOAD BALANCING ============== 6515.31 LDB: Largest compute 4821 load 0.030181 is 25.6% of average load 0.117790 LDB: Average compute 0.001730 is 1.5% of average load 0.117790 LDB: TIME 6515.31 LOAD: AVG 0.11779 MAX 0.1777 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.246 MB LDB: TIME 6515.31 LOAD: AVG 0.11779 MAX 0.1777 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 6515.31 LOAD: AVG 0.11779 MAX 0.1777 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6515.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6515.32 PRESSURE: 2244400 -7.0177 -38.9554 141.023 -38.9549 6.81537 -48.4213 141.023 -48.4208 -327.261 GPRESSURE: 2244400 11.21 -38.9147 224.188 0.674022 36.4075 -71.2348 81.6524 -26.5995 -277.713 PRESSAVG: 2244400 -2.26729 36.1785 21.0473 36.1785 -22.6453 -12.1829 21.0474 -12.183 -31.987 GPRESSAVG: 2244400 -0.353069 36.2222 21.5324 36.7354 -23.2781 -12.6891 19.809 -11.5906 -33.2617 TIMING: 2244400 CPU: 6512.15, 0.00295179/step Wall: 6512.15, 0.00295179/step, 2.25943 hours remaining, 205.105469 MB of memory in use. ENERGY: 2244400 763.0239 2067.4110 1934.3613 112.8913 -205621.9332 17509.6569 0.0000 0.0000 34307.9759 -148926.6128 299.6201 -183234.5888 -148830.0251 299.8368 -109.1543 -76.6984 557636.8689 -18.9665 -18.9643 PRESSURE: 2244600 -170.628 -190.74 28.5821 -190.74 -15.4012 126.441 28.5813 126.44 -352.027 GPRESSURE: 2244600 -111.474 -173.635 52.463 -183.97 43.0428 147.653 78.5783 145.538 -379.489 PRESSAVG: 2244600 42.3648 9.1981 -1.81363 9.19815 30.3763 22.743 -1.81356 22.7429 -75.4192 GPRESSAVG: 2244600 40.7906 9.37541 -3.11275 8.69455 30.5368 23.2441 0.0539599 24.1687 -74.5524 TIMING: 2244600 CPU: 6512.73, 0.00291092/step Wall: 6512.73, 0.00291092/step, 2.22798 hours remaining, 205.308594 MB of memory in use. ENERGY: 2244600 740.0935 2105.6412 1932.7525 112.3370 -205854.0654 17524.5826 0.0000 0.0000 34466.5784 -148972.0801 301.0052 -183438.6585 -148879.7591 300.0014 -179.3523 -149.3068 559390.7887 -0.8927 -1.0750 PRESSURE: 2244800 -11.6666 53.5985 -39.28 53.5985 -30.0184 19.292 -39.2802 19.2901 7.35318 GPRESSURE: 2244800 28.7377 133.107 -25.4895 47.1415 -10.5813 -61.4005 -57.4169 39.0112 28.8708 PRESSAVG: 2244800 51.821 -84.5694 35.3214 -84.5693 -36.0898 17.643 35.3215 17.6429 -1.63328 GPRESSAVG: 2244800 52.7244 -82.4092 35.9792 -85.4024 -36.3395 17.0292 36.0274 15.9064 -2.46022 TIMING: 2244800 CPU: 6513.31, 0.00290271/step Wall: 6513.31, 0.00290271/step, 2.22154 hours remaining, 205.308594 MB of memory in use. ENERGY: 2244800 782.0724 2104.7302 1957.0263 113.0643 -206337.5396 17820.8354 0.0000 0.0000 34450.0980 -149109.7131 300.8613 -183559.8111 -149012.9085 300.0638 -11.4439 15.6757 556349.0657 4.6993 4.6415 PRESSURE: 2245000 -47.5627 -165.731 131.626 -165.732 -75.5463 22.7313 131.625 22.7313 -300.055 GPRESSURE: 2245000 -19.2327 -114.92 64.9309 -94.8463 -99.1861 -20.9981 198.638 78.4997 -217.472 PRESSAVG: 2245000 34.5905 1.01985 -27.5276 1.01985 -68.4086 -15.7461 -27.5276 -15.7461 16.4483 GPRESSAVG: 2245000 34.8743 0.138867 -28.5459 0.472637 -68.6966 -15.8612 -30.1878 -15.8261 17.0836 TIMING: 2245000 CPU: 6513.89, 0.00290906/step Wall: 6513.89, 0.00290906/step, 2.22624 hours remaining, 205.308594 MB of memory in use. ENERGY: 2245000 716.9170 2080.1212 1919.8348 124.4655 -205609.7453 17453.0663 0.0000 0.0000 34259.0299 -149056.3105 299.1926 -183315.3404 -148956.6182 299.0650 -141.0545 -111.9636 557533.2447 -5.7899 -5.5796 PRESSURE: 2245200 4.03966 -128.15 29.2889 -128.15 -200.265 -89.8853 29.2874 -89.8855 91.7315 GPRESSURE: 2245200 88.5749 -84.4786 103.436 -184.711 -187.441 -42.671 -70.7176 -105.298 94.988 PRESSAVG: 2245200 5.9527 -62.2263 18.6817 -62.2263 49.9363 28.1994 18.6818 28.1994 -36.9555 GPRESSAVG: 2245200 6.44363 -60.5615 20.7525 -62.9558 50.5976 31.2177 19.4049 25.7796 -37.8458 TIMING: 2245200 CPU: 6514.47, 0.00288726/step Wall: 6514.47, 0.00288726/step, 2.2094 hours remaining, 205.511719 MB of memory in use. ENERGY: 2245200 753.3756 2132.1208 1958.5330 126.1931 -205961.8512 17799.1379 0.0000 0.0000 34261.5777 -148930.9132 299.2149 -183192.4909 -148838.8809 299.6723 -34.8313 -1.2928 557527.2087 6.3112 6.3985 PRESSURE: 2245400 -189.04 129.076 -92.0257 129.076 -84.9734 -1.39366 -92.0262 -1.3937 46.146 GPRESSURE: 2245400 -162.689 99.8195 -113.971 131.452 -54.0064 42.9411 -89.1244 -41.2694 80.5094 PRESSAVG: 2245400 17.9205 10.1099 52.8338 10.11 -17.8552 3.04482 52.8338 3.04483 7.41045 GPRESSAVG: 2245400 16.3476 8.23214 52.4344 11.0184 -16.4429 -0.320996 53.7204 4.9744 7.54314 TIMING: 2245400 CPU: 6515.05, 0.00290906/step Wall: 6515.05, 0.00290906/step, 2.22591 hours remaining, 205.511719 MB of memory in use. ENERGY: 2245400 748.7904 2079.5577 1960.1869 101.4221 -205334.9332 17451.6700 0.0000 0.0000 34145.5102 -148847.7958 298.2012 -182993.3060 -148753.8037 300.2687 -75.9559 -45.3952 557746.7148 2.4919 2.4826 PRESSURE: 2245600 152.062 132.295 -125.259 132.295 -30.8452 -41.3601 -125.258 -41.3614 176.564 GPRESSURE: 2245600 231.032 68.0116 -207.523 141.569 4.07599 45.035 -116.583 -35.585 157.934 PRESSAVG: 2245600 12.871 -29.0946 -14.0486 -29.0947 14.9085 50.2481 -14.0486 50.2479 -11.4808 GPRESSAVG: 2245600 14.1447 -28.7916 -14.8056 -28.4049 13.4806 51.1752 -12.9524 50.4414 -11.3495 TIMING: 2245600 CPU: 6515.63, 0.0028957/step Wall: 6515.63, 0.0028957/step, 2.21553 hours remaining, 205.511719 MB of memory in use. ENERGY: 2245600 717.8048 2084.2660 1966.0206 123.4901 -205895.8892 17801.3986 0.0000 0.0000 34353.2010 -148849.7080 300.0150 -183202.9090 -148750.4286 299.5465 99.2605 131.0138 557838.7574 5.4329 5.4253 PRESSURE: 2245800 347.388 29.2778 155.875 29.2784 -51.2802 22.5697 155.875 22.5698 -7.06631 GPRESSURE: 2245800 327.618 47.7914 230.402 59.122 -62.6331 61.454 142.271 -23.7689 114.608 PRESSAVG: 2245800 9.45269 -14.5524 -24.4934 -14.5524 10.7622 -11.6533 -24.4934 -11.6534 -48.6051 GPRESSAVG: 2245800 7.56733 -15.2129 -23.7877 -15.4568 12.1694 -9.72109 -26.106 -12.1739 -48.1243 TIMING: 2245800 CPU: 6516.21, 0.00289901/step Wall: 6516.21, 0.00289901/step, 2.2179 hours remaining, 205.511719 MB of memory in use. ENERGY: 2245800 744.2120 2105.5043 1931.5734 108.9751 -206058.9629 18030.0545 0.0000 0.0000 34291.8637 -148846.7799 299.4794 -183138.6435 -148752.8261 300.3078 96.3473 126.5309 558566.4823 -9.4634 -9.4625 PRESSURE: 2246000 81.8988 64.7638 80.137 64.7637 265.177 -98.2309 80.1363 -98.2299 90.2943 GPRESSURE: 2246000 127.602 5.57242 19.2355 88.9318 284.442 -100.443 113.759 -68.3117 121.922 PRESSAVG: 2246000 108.249 27.8357 4.83669 27.8358 41.231 -7.21546 4.83659 -7.21544 -98.6831 GPRESSAVG: 2246000 109.135 28.0311 2.61859 28.2177 40.5242 -10.516 5.34664 -5.70252 -99.1358 TIMING: 2246000 CPU: 6516.79, 0.00289766/step Wall: 6516.79, 0.00289766/step, 2.21671 hours remaining, 205.511719 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: 2246000 759.5147 2087.7941 1953.8020 122.7154 -206356.9640 18116.7707 0.0000 0.0000 34478.8522 -148837.5149 301.1124 -183316.3671 -148732.6218 300.1348 145.7899 177.9886 558058.0768 16.9323 16.8410 PRESSURE: 2246200 106.581 -90.6385 -34.2382 -90.6382 84.8414 130.6 -34.2374 130.599 -24.778 GPRESSURE: 2246200 191.07 -66.6484 19.914 -103.779 38.1015 92.7937 0.279453 70.2347 27.5379 PRESSAVG: 2246200 25.7846 -14.6673 15.9124 -14.6672 -36.8857 -23.4654 15.9124 -23.4654 4.24448 GPRESSAVG: 2246200 26.0957 -14.8709 19.1598 -13.2801 -37.3694 -25.9101 13.5021 -20.8976 4.57199 TIMING: 2246200 CPU: 6517.37, 0.0028951/step Wall: 6517.37, 0.0028951/step, 2.21459 hours remaining, 205.511719 MB of memory in use. ENERGY: 2246200 736.1600 2101.5311 1929.3087 124.7203 -206017.8665 17902.3091 0.0000 0.0000 34343.5329 -148880.3045 299.9306 -183223.8373 -148776.1868 300.3674 55.5481 85.5699 558386.7759 -2.2855 -2.2339 PRESSURE: 2246400 -200.663 80.1266 -23.6313 80.1274 -149.691 26.9553 -23.6319 26.9568 -466.128 GPRESSURE: 2246400 -196.797 56.1183 -40.0982 6.51712 -135.055 43.0355 1.25772 11.3695 -395.557 PRESSAVG: 2246400 14.0496 -24.6742 -51.215 -24.6741 -9.54966 44.8626 -51.215 44.8627 -28.4951 GPRESSAVG: 2246400 14.4742 -23.7491 -53.9686 -26.7874 -8.35972 47.4582 -48.8896 42.0727 -29.1077 TIMING: 2246400 CPU: 6517.94, 0.00288586/step Wall: 6517.94, 0.00288586/step, 2.20736 hours remaining, 205.511719 MB of memory in use. ENERGY: 2246400 771.2328 2140.0210 1959.1921 99.7129 -205520.4914 17434.7386 0.0000 0.0000 34140.1403 -148975.4536 298.1543 -183115.5940 -148876.8847 299.4317 -272.1606 -242.4698 559101.9517 -7.9984 -7.6644 PRESSURE: 2246600 -107.695 -60.7219 -37.1419 -60.7222 -135.686 98.4979 -37.1408 98.4984 -216.532 GPRESSURE: 2246600 -99.0415 -117.72 -55.2929 -79.4195 -118.08 189.27 -48.4154 85.6834 -141.85 PRESSAVG: 2246600 -59.2092 -13.879 31.0267 -13.879 60.5338 -6.52559 31.0268 -6.52559 24.2961 GPRESSAVG: 2246600 -57.2481 -13.4905 32.7331 -12.3506 60.1255 -6.53957 28.7001 -6.97387 22.9022 TIMING: 2246600 CPU: 6518.52, 0.00289322/step Wall: 6518.52, 0.00289322/step, 2.21283 hours remaining, 205.511719 MB of memory in use. ENERGY: 2246600 759.1957 2128.4479 1931.2266 114.1836 -206044.5441 17712.2594 0.0000 0.0000 34413.4867 -148985.7443 300.5415 -183399.2310 -148882.6274 299.6801 -153.3042 -119.6573 558211.4117 8.5402 8.5932 PRESSURE: 2246800 53.1262 -191.742 127.695 -191.743 -39.9011 144.281 127.695 144.282 0.379655 GPRESSURE: 2246800 55.5953 -202.025 112.678 -225.01 17.0975 165.807 108.956 121.399 37.032 PRESSAVG: 2246800 -94.5401 -40.0919 13.9766 -40.0918 38.5372 46.8295 13.9766 46.8296 54.8845 GPRESSAVG: 2246800 -96.0885 -40.278 12.2505 -40.0788 38.4147 45.4638 16.584 46.428 56.6607 TIMING: 2246800 CPU: 6519.1, 0.00287952/step Wall: 6519.1, 0.00287952/step, 2.20219 hours remaining, 205.511719 MB of memory in use. ENERGY: 2246800 729.7420 2066.4286 1970.8669 107.4668 -206019.3247 17698.1063 0.0000 0.0000 34502.9874 -148943.7267 301.3232 -183446.7142 -148841.9970 300.0855 4.5349 36.5749 558232.9290 -0.3728 -0.3377 PRESSURE: 2247000 -60.9973 118.027 -32.571 118.027 -452.591 -129.321 -32.5703 -129.322 -53.768 GPRESSURE: 2247000 -85.8244 108.34 40.0999 82.2457 -412.144 -206.086 -131.558 -181.464 35.9099 PRESSAVG: 2247000 56.3742 -30.8505 -5.84085 -30.8505 -36.7351 -63.7164 -5.84092 -63.7164 20.9311 GPRESSAVG: 2247000 59.2822 -30.3869 -4.81428 -32.4646 -37.6887 -61.6122 -8.56938 -63.9448 19.4307 TIMING: 2247000 CPU: 6519.68, 0.00290293/step Wall: 6519.68, 0.00290293/step, 2.21994 hours remaining, 205.511719 MB of memory in use. ENERGY: 2247000 710.0464 2097.8498 1968.7655 116.8758 -205488.4457 17460.0959 0.0000 0.0000 34319.2925 -148815.5199 299.7189 -183134.8123 -148708.0213 300.1554 -189.1189 -154.0196 559985.1047 13.5234 13.6747 PRESSURE: 2247200 16.6304 33.281 -104.638 33.2818 42.3108 24.1864 -104.638 24.1879 -249.895 GPRESSURE: 2247200 76.0026 68.1743 -96.4641 -68.9645 22.3658 63.7303 -129.355 -33.6978 -190.675 PRESSAVG: 2247200 97.8236 -36.2681 -32.7513 -36.268 -51.2601 14.0475 -32.7512 14.0475 -44.6779 GPRESSAVG: 2247200 95.479 -37.7124 -31.9869 -31.992 -50.6947 12.7142 -29.8799 13.5295 -43.1696 TIMING: 2247200 CPU: 6520.26, 0.00290519/step Wall: 6520.26, 0.00290519/step, 2.2215 hours remaining, 205.511719 MB of memory in use. ENERGY: 2247200 777.9542 2057.8259 1966.0580 107.9859 -205897.4204 17764.5679 0.0000 0.0000 34457.2347 -148765.7938 300.9236 -183223.0285 -148672.2518 300.5143 -63.6512 -30.7690 558221.0333 0.6285 0.5382 PRESSURE: 2247400 230.556 147.264 221.624 147.264 41.7576 130.594 221.625 130.593 -144.259 GPRESSURE: 2247400 189.097 120.158 177.425 131.53 97.5566 136.721 150.353 87.1056 -61.0087 PRESSAVG: 2247400 8.26103 -50.0362 24.7432 -50.0362 -21.2982 13.7785 24.7431 13.7785 35.3994 GPRESSAVG: 2247400 8.53194 -48.9206 24.1086 -52.5536 -20.5652 13.6238 24.9356 14.7208 34.2849 TIMING: 2247400 CPU: 6520.84, 0.00290542/step Wall: 6520.84, 0.00290542/step, 2.22151 hours remaining, 205.511719 MB of memory in use. ENERGY: 2247400 763.5675 2130.5188 1953.1938 109.3839 -205953.5596 17738.7925 0.0000 0.0000 34444.2355 -148813.8676 300.8101 -183258.1031 -148711.4619 300.6553 42.6849 75.2150 556061.8497 7.4541 7.4172 PRESSURE: 2247600 93.5285 -44.0087 -10.2407 -44.0078 -233.855 81.9455 -10.2405 81.9458 0.675293 GPRESSURE: 2247600 102.164 -54.7546 40.0884 -82.1079 -160.282 92.8652 -72.6072 96.7025 11.2907 PRESSAVG: 2247600 36.2163 -23.5414 5.35158 -23.5413 -69.9983 33.6348 5.35165 33.6348 62.9849 GPRESSAVG: 2247600 35.3187 -23.3783 5.95591 -22.4466 -70.754 33.6166 3.27632 31.9924 64.7323 TIMING: 2247600 CPU: 6521.42, 0.00289891/step Wall: 6521.42, 0.00289891/step, 2.21638 hours remaining, 205.511719 MB of memory in use. ENERGY: 2247600 729.2831 2059.3253 1978.5412 115.7728 -205649.2624 17648.4486 0.0000 0.0000 34329.6655 -148788.2259 299.8095 -183117.8914 -148685.9376 300.4707 -46.5503 -15.6090 557704.8853 9.7343 9.7657 PRESSURE: 2247800 -139.211 -181.024 9.14377 -181.024 80.3625 -60.2687 9.14395 -60.2681 -1.71779 GPRESSURE: 2247800 -56.9518 -144.569 -16.8104 -246.768 110.744 -51.0498 -38.4209 -115.744 -9.24476 PRESSAVG: 2247800 32.1282 -40.7673 -96.9648 -40.7673 -115.331 8.26407 -96.9649 8.26406 69.1679 GPRESSAVG: 2247800 33.2581 -41.4713 -96.7738 -41.5267 -115.729 9.44416 -94.5302 10.4119 69.0639 TIMING: 2247800 CPU: 6522, 0.00288153/step Wall: 6522, 0.00288153/step, 2.20293 hours remaining, 205.511719 MB of memory in use. ENERGY: 2247800 745.1943 2077.9617 1971.6016 124.0317 -205655.2105 17621.8293 0.0000 0.0000 34302.6370 -148811.9549 299.5735 -183114.5919 -148716.1955 300.2513 -20.1889 14.8492 558392.3914 -4.6784 -4.4690 PRESSURE: 2248000 164.005 -16.447 -78.0553 -16.448 106.379 131.37 -78.0559 131.371 296.65 GPRESSURE: 2248000 249.172 -60.2669 -97.5982 -66.7979 88.2458 21.5261 -51.3953 130.866 325.987 PRESSAVG: 2248000 20.3561 -30.8236 -39.4656 -30.8235 -10.8542 -5.74154 -39.4656 -5.74154 44.3762 GPRESSAVG: 2248000 20.8405 -30.0875 -38.2869 -31.886 -9.91578 -4.42736 -39.9809 -8.88508 43.8291 TIMING: 2248000 CPU: 6522.58, 0.00290142/step Wall: 6522.58, 0.00290142/step, 2.21797 hours remaining, 205.511719 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: 2248000 710.7514 2060.3715 1971.3814 124.2528 -206352.4650 17974.4461 0.0000 0.0000 34528.6790 -148982.5828 301.5475 -183511.2618 -148884.0166 299.2754 189.0113 221.1348 557139.9368 17.9594 18.2513 PRESSURE: 2248200 70.088 -65.5076 -57.049 -65.5074 98.8613 -54.7814 -57.0497 -54.779 -111.032 GPRESSURE: 2248200 97.2189 -133.191 -57.3539 -24.4054 136.431 -47.9146 -103.228 -49.0837 -73.5302 PRESSAVG: 2248200 -53.8204 -68.2777 -53.5 -68.2777 12.9723 -43.588 -53.4999 -43.5881 14.5961 GPRESSAVG: 2248200 -54.6002 -68.3715 -55.9934 -66.8585 12.9402 -44.6767 -52.502 -42.8434 14.6069 TIMING: 2248200 CPU: 6523.15, 0.00288654/step Wall: 6523.15, 0.00288654/step, 2.20644 hours remaining, 205.511719 MB of memory in use. ENERGY: 2248200 775.0706 2109.2552 1965.7968 108.6480 -205897.6652 17802.4742 0.0000 0.0000 34436.9237 -148699.4968 300.7462 -183136.4205 -148595.2857 299.9644 19.3056 53.3731 559288.3832 -8.7507 -9.0177 LDB: ============= START OF LOAD BALANCING ============== 6526.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6526.62 LDB: =============== DONE WITH MIGRATION ================ 6526.62 LDB: ============= START OF LOAD BALANCING ============== 6526.91 LDB: Largest compute 4820 load 0.029114 is 24.7% of average load 0.117680 LDB: Average compute 0.001735 is 1.5% of average load 0.117680 LDB: TIME 6526.91 LOAD: AVG 0.11768 MAX 0.178509 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6526.91 LOAD: AVG 0.11768 MAX 0.178509 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 6526.91 LOAD: AVG 0.11768 MAX 0.178509 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6526.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6526.92 PRESSURE: 2248400 -16.6541 -62.0158 -164.842 -62.0168 90.2145 -112.818 -164.842 -112.816 0.331681 GPRESSURE: 2248400 15.6452 -11.0168 -149.342 -113.276 119.263 -137.796 -158.679 -80.2026 37.2184 PRESSAVG: 2248400 -14.0047 -31.565 -41.9542 -31.5649 3.02043 -43.2957 -41.9543 -43.2958 47.4006 GPRESSAVG: 2248400 -15.0223 -31.8075 -40.0833 -32.6456 3.39205 -45.1378 -42.2051 -42.9113 47.5406 TIMING: 2248400 CPU: 6523.74, 0.00294399/step Wall: 6523.74, 0.00294399/step, 2.25019 hours remaining, 206.382812 MB of memory in use. ENERGY: 2248400 750.1226 2094.6139 1976.6282 106.6632 -205686.1516 17737.2835 0.0000 0.0000 34172.6235 -148848.2167 298.4380 -183020.8403 -148750.5096 300.2904 24.6307 57.3756 557673.1114 12.1388 11.9701 PRESSURE: 2248600 -27.4554 221.155 -42.4898 221.154 -194.844 90.4116 -42.4899 90.4127 -22.5529 GPRESSURE: 2248600 15.9111 190.847 -79.7876 212.395 -165.607 43.5334 -14.2787 151.887 13.5517 PRESSAVG: 2248600 28.4529 29.762 -65.3213 29.7619 19.2947 -20.2054 -65.3213 -20.2054 -0.365108 GPRESSAVG: 2248600 29.0794 29.4045 -65.2666 30.58 19.7549 -17.8879 -64.56 -19.4747 -1.96567 TIMING: 2248600 CPU: 6524.32, 0.00288403/step Wall: 6524.32, 0.00288403/step, 2.2042 hours remaining, 206.585938 MB of memory in use. ENERGY: 2248600 739.3935 2090.6174 1981.1276 112.9077 -205907.0878 17779.8535 0.0000 0.0000 34345.7327 -148857.4553 299.9498 -183203.1881 -148764.2781 300.2077 -81.6174 -45.3813 558756.2499 15.7941 15.6229 PRESSURE: 2248800 199.245 65.5731 -57.2012 65.5736 -29.3317 -6.1679 -57.2002 -6.1699 -285.814 GPRESSURE: 2248800 247.226 116.664 -60.0613 25.1525 4.14846 39.7131 0.899176 -72.7742 -267.657 PRESSAVG: 2248800 43.8686 2.25227 20.3238 2.25233 -47.5955 15.5795 20.3237 15.5796 -22.17 GPRESSAVG: 2248800 43.6581 3.93597 21.5624 3.08312 -49.5089 15.2961 18.5278 13.0269 -19.7628 TIMING: 2248800 CPU: 6524.9, 0.00287887/step Wall: 6524.9, 0.00287887/step, 2.2001 hours remaining, 206.695312 MB of memory in use. ENERGY: 2248800 746.9863 2106.1841 1977.4485 115.1409 -206170.3303 17907.5612 0.0000 0.0000 34384.7565 -148932.2529 300.2906 -183317.0094 -148840.3098 300.0614 -38.6338 -5.4276 558664.4634 -8.6323 -8.5379 PRESSURE: 2249000 -0.408576 -4.10574 37.6083 -4.10621 -59.5966 -179.832 37.6089 -179.832 176.53 GPRESSURE: 2249000 56.1171 64.7312 68.3583 -98.0985 10.0153 -157.218 -60.3267 -230.424 147.89 PRESSAVG: 2249000 -3.23789 -14.6646 -8.90041 -14.6645 -9.48862 5.99773 -8.9004 5.99769 12.6105 GPRESSAVG: 2249000 -1.69651 -16.841 -10.5421 -14.9218 -10.221 5.28231 -7.90143 8.39467 11.7804 TIMING: 2249000 CPU: 6525.48, 0.00290634/step Wall: 6525.48, 0.00290634/step, 2.22093 hours remaining, 206.695312 MB of memory in use. ENERGY: 2249000 716.7919 1998.7559 1975.2519 116.4004 -206045.4353 17712.2782 0.0000 0.0000 34403.3986 -149122.5584 300.4534 -183525.9570 -149027.6197 299.1150 38.8416 71.3408 557731.1921 -0.0387 -0.0457 PRESSURE: 2249200 -230.789 9.01987 -117.515 9.02049 -26.4461 -108.357 -117.514 -108.356 -27.5662 GPRESSURE: 2249200 -184.288 81.2949 -108.535 20.8884 -38.1202 -12.7535 -155.568 -109.986 24.9829 PRESSAVG: 2249200 11.9151 -67.2219 24.3642 -67.2219 5.69893 -8.58391 24.3642 -8.58393 -38.575 GPRESSAVG: 2249200 11.1337 -66.4251 25.5986 -68.1616 7.13794 -9.2943 24.4999 -8.21575 -39.0352 TIMING: 2249200 CPU: 6526.06, 0.00290633/step Wall: 6526.06, 0.00290633/step, 2.22076 hours remaining, 206.695312 MB of memory in use. ENERGY: 2249200 727.6273 2063.4527 1968.9382 111.2334 -206042.9848 17582.4793 0.0000 0.0000 34560.8689 -149028.3852 301.8287 -183589.2541 -148927.9970 299.6466 -94.9338 -65.8083 559439.5869 -6.9870 -6.9212 PRESSURE: 2249400 -264.68 19.3852 -132.078 19.3849 -110.061 -7.10661 -132.077 -7.10625 -312.954 GPRESSURE: 2249400 -249.193 60.2385 -142.802 6.95941 -62.4836 -73.9497 -121.815 4.65425 -283.523 PRESSAVG: 2249400 -13.871 6.92393 19.1488 6.92391 -12.4374 -40.9498 19.1488 -40.9497 14.9268 GPRESSAVG: 2249400 -15.3549 7.26688 18.1901 6.44329 -12.5034 -40.3091 18.2614 -42.8303 16.3911 TIMING: 2249400 CPU: 6526.64, 0.00289863/step Wall: 6526.64, 0.00289863/step, 2.21471 hours remaining, 206.695312 MB of memory in use. ENERGY: 2249400 739.2285 2108.9264 1936.7288 110.9844 -205754.0306 17406.6214 0.0000 0.0000 34367.8143 -149083.7268 300.1427 -183451.5412 -148989.7551 300.0427 -229.2318 -198.3999 558919.4837 -3.7939 -3.8224 PRESSURE: 2249600 419.368 -34.8405 165.43 -34.8416 -12.8402 -61.6428 165.43 -61.6427 342.234 GPRESSURE: 2249600 369.225 3.99606 58.8732 -24.7481 32.2519 -145.584 201.204 8.59775 452.538 PRESSAVG: 2249600 -18.3896 -27.434 17.533 -27.4339 39.1982 -49.1124 17.5331 -49.1124 10.1511 GPRESSAVG: 2249600 -18.2492 -26.9859 17.6046 -25.445 38.6729 -49.3787 16.815 -48.197 10.1753 TIMING: 2249600 CPU: 6527.22, 0.00290624/step Wall: 6527.22, 0.00290624/step, 2.22037 hours remaining, 206.695312 MB of memory in use. ENERGY: 2249600 753.7428 2112.8214 1967.7794 107.9726 -206580.9693 18301.5695 0.0000 0.0000 34377.6046 -148959.4790 300.2282 -183337.0836 -148856.0432 299.3537 249.5873 284.6717 557733.3597 10.3199 10.1997 PRESSURE: 2249800 -77.0639 172.286 29.483 172.286 -150.135 38.699 29.4834 38.6998 49.4885 GPRESSURE: 2249800 -39.6261 135.677 28.3154 131.889 -125.288 118.613 18.4209 -5.66632 80.0521 PRESSAVG: 2249800 25.0535 -12.0318 -14.2733 -12.0318 -17.2444 -31.158 -14.2734 -31.1581 -31.6745 GPRESSAVG: 2249800 25.8084 -12.6662 -13.4533 -12.1726 -17.6235 -29.0739 -14.698 -32.4245 -31.7241 TIMING: 2249800 CPU: 6527.8, 0.00290889/step Wall: 6527.8, 0.00290889/step, 2.22223 hours remaining, 206.695312 MB of memory in use. ENERGY: 2249800 757.5747 2074.4714 1988.6351 127.7220 -206132.7413 17986.7658 0.0000 0.0000 34317.1483 -148880.4241 299.7002 -183197.5724 -148784.6805 299.8576 -59.2366 -28.2872 559447.2859 -7.9551 -7.8464 PRESSURE: 2250000 15.2603 41.7637 47.7205 41.7636 12.0845 101.008 47.7195 101.008 147.793 GPRESSURE: 2250000 46.4205 23.0051 8.06824 110.593 48.5559 80.7606 56.2776 104.891 184.875 PRESSAVG: 2250000 7.4092 24.1045 -42.4027 24.1046 -20.0878 -27.6678 -42.4026 -27.6678 27.6053 GPRESSAVG: 2250000 7.89027 25.2775 -42.945 21.9552 -20.3671 -30.2058 -43.6675 -27.1096 27.2824 TIMING: 2250000 CPU: 6528.39, 0.0029236/step Wall: 6528.39, 0.0029236/step, 2.2333 hours remaining, 206.695312 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: 2250000 750.3704 2071.4150 1965.0141 104.3287 -206226.1182 17905.5561 0.0000 0.0000 34559.1113 -148870.3227 301.8133 -183429.4339 -148774.1973 300.3128 58.3794 93.2839 556052.6110 4.9756 4.9352 PRESSURE: 2250200 95.0838 54.8905 54.4016 54.8915 -79.5474 142.25 54.4023 142.249 -80.5058 GPRESSURE: 2250200 149.423 67.2816 -16.6317 83.1532 -66.7147 111.484 162.753 46.254 -61.4933 PRESSAVG: 2250200 21.2313 49.8622 27.8467 49.8622 -9.51819 10.8882 27.8466 10.8882 3.03465 GPRESSAVG: 2250200 21.3633 47.9984 26.7249 51.1059 -8.81141 12.297 30.1845 9.99837 1.8511 TIMING: 2250200 CPU: 6528.97, 0.00291802/step Wall: 6528.97, 0.00291802/step, 2.22888 hours remaining, 206.695312 MB of memory in use. ENERGY: 2250200 773.5506 2096.1407 1991.8198 129.8227 -205948.4341 17750.7371 0.0000 0.0000 34294.2291 -148912.1341 299.5000 -183206.3632 -148818.2463 299.9553 -21.6565 7.0716 557081.9791 4.9159 4.8010 PRESSURE: 2250400 342.829 -164.154 -47.7889 -164.154 435.641 -36.6882 -47.7895 -36.6884 145.647 GPRESSURE: 2250400 385.274 -148.606 -41.3363 -158.703 444.169 20.4276 -45.042 -6.82573 190.988 PRESSAVG: 2250400 -5.82662 67.6173 37.0191 67.6173 18.687 25.2203 37.0191 25.2203 35.7385 GPRESSAVG: 2250400 -6.04514 68.8085 38.9116 67.9543 18.4665 27.1355 35.4034 24.7672 36.3454 TIMING: 2250400 CPU: 6529.55, 0.00289306/step Wall: 6529.55, 0.00289306/step, 2.20965 hours remaining, 206.695312 MB of memory in use. ENERGY: 2250400 745.7419 2067.6027 1981.4175 115.0807 -206467.7182 18289.3163 0.0000 0.0000 34067.2088 -149201.3504 297.5174 -183268.5592 -149111.5918 299.3645 308.0388 340.1437 556205.6920 16.1996 16.2556 PRESSURE: 2250600 -240.103 -155.754 90.1872 -155.754 -326.162 19.4838 90.1879 19.4837 -305.912 GPRESSURE: 2250600 -197.933 -208.278 93.8646 -175.45 -300.874 -8.33909 125.299 -39.0323 -276.677 PRESSAVG: 2250600 -17.7037 2.78358 17.7753 2.78355 21.0207 2.10128 17.7754 2.10136 23.3303 GPRESSAVG: 2250600 -18.885 2.14501 17.7586 1.23396 21.2847 -0.847544 20.0936 2.78486 24.2379 TIMING: 2250600 CPU: 6530.13, 0.002913/step Wall: 6530.13, 0.002913/step, 2.22472 hours remaining, 206.695312 MB of memory in use. ENERGY: 2250600 763.1986 2057.1387 1935.6420 113.3273 -205592.0184 17343.1939 0.0000 0.0000 34139.8649 -149239.6530 298.1519 -183379.5179 -149140.3506 298.9106 -290.7256 -258.4947 558181.2768 8.8825 8.8792 PRESSURE: 2250800 73.8452 0.895814 36.0791 0.895611 -284.142 -130.484 36.0789 -130.484 195.645 GPRESSURE: 2250800 79.8156 -108.299 8.73308 -1.60397 -239.776 -109.562 10.3555 -184.517 263.004 PRESSAVG: 2250800 43.0927 4.8758 52.8971 4.87584 -23.4335 33.9402 52.8972 33.9403 -31.6471 GPRESSAVG: 2250800 42.3018 5.22834 50.2064 7.17507 -23.1497 34.4778 53.2868 33.6256 -31.0027 TIMING: 2250800 CPU: 6530.71, 0.00289298/step Wall: 6530.71, 0.00289298/step, 2.20927 hours remaining, 206.695312 MB of memory in use. ENERGY: 2250800 713.2017 2149.6373 1972.3473 123.0682 -206347.1996 17747.8165 0.0000 0.0000 34420.7438 -149220.3848 300.6049 -183641.1286 -149122.3179 299.9816 -4.8840 34.3480 557042.2679 -3.9960 -3.9502 PRESSURE: 2251000 61.5791 61.9301 42.9185 61.9314 -4.79531 -149.91 42.9167 -149.91 -183.978 GPRESSURE: 2251000 146.86 94.3988 57.0554 106.642 0.486238 -177.145 74.0289 -154.18 -182.491 PRESSAVG: 2251000 69.2766 9.45903 34.3137 9.4591 -10.1898 -13.1126 34.3138 -13.1126 21.0681 GPRESSAVG: 2251000 70.2555 9.74597 36.184 9.17871 -10.5643 -15.0105 35.6367 -11.9513 20.1491 TIMING: 2251000 CPU: 6531.29, 0.00291151/step Wall: 6531.29, 0.00291151/step, 2.22326 hours remaining, 206.695312 MB of memory in use. ENERGY: 2251000 707.9226 2066.9408 1987.1235 114.3720 -206357.1831 17789.2380 0.0000 0.0000 34407.5607 -149284.0255 300.4898 -183691.5863 -149181.5492 299.8732 -42.3981 -11.7150 557994.8434 26.7183 26.6134 PRESSURE: 2251200 178.521 117.194 86.5732 117.194 13.6691 -99.5498 86.5736 -99.5507 105.793 GPRESSURE: 2251200 194.432 12.9485 116.066 70.339 83.1715 -133.01 118.189 -70.9594 124.604 PRESSAVG: 2251200 78.2498 53.6445 -21.7256 53.6444 7.74686 16.0337 -21.7257 16.0338 -28.4207 GPRESSAVG: 2251200 78.6947 52.7311 -23.5237 52.1559 7.52568 18.7813 -22.5277 15.026 -28.4847 TIMING: 2251200 CPU: 6531.87, 0.00290873/step Wall: 6531.87, 0.00290873/step, 2.22098 hours remaining, 206.695312 MB of memory in use. ENERGY: 2251200 759.6633 2095.1557 1977.9352 103.9791 -206515.9407 18018.3341 0.0000 0.0000 34299.4184 -149261.4549 299.5454 -183560.8733 -149163.2621 299.2024 99.3276 134.0690 556704.1413 19.1920 19.2452 PRESSURE: 2251400 231.044 -95.3123 29.7357 -95.3114 -4.96021 -17.116 29.7353 -17.1156 -133.768 GPRESSURE: 2251400 248.39 -133.232 -40.7308 -19.6088 20.3946 15.8747 61.8074 -14.3801 -70.7406 PRESSAVG: 2251400 74.3921 -15.8875 42.0566 -15.8876 -65.8364 -12.4041 42.0567 -12.404 -4.65175 GPRESSAVG: 2251400 74.6258 -14.9597 42.4135 -14.8305 -65.1615 -14.1692 42.3304 -9.35495 -5.86822 TIMING: 2251400 CPU: 6532.46, 0.00291773/step Wall: 6532.46, 0.00291773/step, 2.22768 hours remaining, 206.695312 MB of memory in use. ENERGY: 2251400 704.6940 2095.1343 1996.9437 112.6493 -206080.6116 17684.1821 0.0000 0.0000 34361.3581 -149125.6501 300.0863 -183487.0081 -149023.5321 299.5747 30.7720 66.0147 558635.5780 1.3013 1.1987 PRESSURE: 2251600 254.474 -70.1019 138.794 -70.1011 98.8797 47.5257 138.794 47.5243 26.0282 GPRESSURE: 2251600 327.635 20.5003 18.0388 -114.019 96.4264 56.5437 203.291 50.9345 45.7304 PRESSAVG: 2251600 55.202 -10.6106 38.2826 -10.6106 8.59413 19.1642 38.2826 19.1642 -6.84291 GPRESSAVG: 2251600 54.2721 -11.2984 40.5287 -10.2364 7.56216 20.8584 36.4966 16.5083 -4.88744 TIMING: 2251600 CPU: 6533.04, 0.00292465/step Wall: 6533.04, 0.00292465/step, 2.2328 hours remaining, 206.695312 MB of memory in use. ENERGY: 2251600 763.2548 2055.8265 1987.8576 109.3008 -206219.0369 17780.6899 0.0000 0.0000 34327.0802 -149195.0271 299.7869 -183522.1073 -149100.2726 299.8005 126.4606 156.5973 557120.4932 18.9844 18.9823 PRESSURE: 2251800 -27.7871 -71.3767 1.90494 -71.3772 -41.9033 -129.062 1.90535 -129.062 -75.5151 GPRESSURE: 2251800 -35.8357 -65.5015 -18.0122 -111.859 11.9206 -154.641 -61.5063 -138.554 -27.5125 PRESSAVG: 2251800 -8.28114 -19.9643 14.9621 -19.9644 -8.82446 40.9579 14.962 40.958 1.16335 GPRESSAVG: 2251800 -8.92791 -16.8264 15.6379 -20.8649 -7.19717 41.2032 15.1151 40.8379 0.18919 TIMING: 2251800 CPU: 6533.63, 0.00294048/step Wall: 6533.63, 0.00294048/step, 2.24473 hours remaining, 206.695312 MB of memory in use. ENERGY: 2251800 750.0162 2146.2529 1972.8818 109.2024 -206025.1634 17549.2391 0.0000 0.0000 34209.9092 -149287.6617 298.7636 -183497.5709 -149190.0422 298.8124 -48.4018 -17.1425 556692.7201 -5.3141 -5.3120 PRESSURE: 2252000 -2.49525 87.5797 148.029 87.5819 97.5943 -4.30969 148.029 -4.31018 115.011 GPRESSURE: 2252000 -19.4634 134.3 219.227 107.417 148.667 95.7101 55.8809 17.0755 178.05 PRESSAVG: 2252000 -16.7713 22.4301 41.3772 22.4301 77.211 -20.6627 41.3773 -20.6627 -34.8085 GPRESSAVG: 2252000 -16.9194 19.8582 40.6024 22.7272 76.7461 -19.9067 40.803 -22.0128 -34.2986 TIMING: 2252000 CPU: 6534.21, 0.00291155/step Wall: 6534.21, 0.00291155/step, 2.22248 hours remaining, 206.695312 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: 2252000 765.3839 2144.3202 1965.2355 111.0711 -206305.2730 17888.7703 0.0000 0.0000 34111.1566 -149319.3354 297.9012 -183430.4920 -149223.5669 298.6160 70.0368 102.4178 556506.4007 8.5437 8.5094 PRESSURE: 2252200 -346.921 -16.6738 203.474 -16.6725 -38.8334 -8.05374 203.476 -8.05362 -6.17685 GPRESSURE: 2252200 -282.016 0.363942 169.082 -85.0692 -46.8707 -10.6471 186.423 24.1698 32.3486 PRESSAVG: 2252200 3.77009 3.20025 5.04382 3.20041 -7.75781 8.51293 5.04385 8.51304 18.9238 GPRESSAVG: 2252200 4.00234 2.82431 5.99199 3.51495 -7.85115 7.63545 4.47676 10.1112 18.6451 TIMING: 2252200 CPU: 6534.79, 0.00290839/step Wall: 6534.79, 0.00290839/step, 2.21991 hours remaining, 206.695312 MB of memory in use. ENERGY: 2252200 717.9758 2105.7520 1996.0165 108.9974 -205902.9112 17521.2646 0.0000 0.0000 34139.1674 -149313.7375 298.1458 -183452.9049 -149212.0941 298.7638 -130.6439 -98.8460 556627.1128 4.9787 4.9321 LDB: ============= START OF LOAD BALANCING ============== 6538.26 LDB: ============== END OF LOAD BALANCING =============== 6538.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6538.26 LDB: ============= START OF LOAD BALANCING ============== 6538.56 LDB: Largest compute 4821 load 0.027983 is 23.8% of average load 0.117701 LDB: Average compute 0.001729 is 1.5% of average load 0.117701 LDB: TIME 6538.56 LOAD: AVG 0.117701 MAX 0.179411 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.012 MB LDB: TIME 6538.56 LOAD: AVG 0.117701 MAX 0.179411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.074 MB LDB: TIME 6538.56 LOAD: AVG 0.117701 MAX 0.179411 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.074 MB LDB: ============== END OF LOAD BALANCING =============== 6538.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6538.56 PRESSURE: 2252400 44.5755 -155.35 64.2947 -155.35 -166.08 -142.756 64.2954 -142.755 -103.471 GPRESSURE: 2252400 85.4736 -157.342 32.7969 -153.359 -142.11 -101.042 174.858 -124.086 -57.3112 PRESSAVG: 2252400 18.6084 -25.3837 -2.45078 -25.3836 1.65126 39.0196 -2.45073 39.0195 23.8152 GPRESSAVG: 2252400 19.0738 -25.2748 -1.55764 -23.9827 0.567363 39.4643 -1.22793 39.2174 24.0081 TIMING: 2252400 CPU: 6535.39, 0.00297253/step Wall: 6535.39, 0.00297253/step, 2.2687 hours remaining, 206.929688 MB of memory in use. ENERGY: 2252400 769.7794 2086.3540 1997.1445 117.4395 -206172.7037 17694.7411 0.0000 0.0000 34197.9506 -149309.2947 298.6592 -183507.2453 -149211.4380 299.4612 -74.9919 -37.9826 556302.0741 14.6916 14.5498 PRESSURE: 2252600 -141.635 -38.4411 -74.3466 -38.4405 68.4789 20.6593 -74.3463 20.6572 5.68442 GPRESSURE: 2252600 -63.3147 -118.733 -64.4438 -24.8851 73.9058 27.6908 -121.322 54.8288 16.4167 PRESSAVG: 2252600 10.7298 29.0202 21.7376 29.0203 37.3104 -26.7259 21.7375 -26.7258 -58.1781 GPRESSAVG: 2252600 10.4585 28.1067 19.1976 29.112 37.8503 -29.9415 21.5648 -26.1661 -58.1595 TIMING: 2252600 CPU: 6535.97, 0.00291267/step Wall: 6535.97, 0.00291267/step, 2.22285 hours remaining, 207.074219 MB of memory in use. ENERGY: 2252600 741.8742 2098.7743 1959.3667 125.3213 -205989.9336 17690.4014 0.0000 0.0000 34199.5628 -149174.6328 298.6733 -183374.1957 -149078.7119 299.4288 -22.4907 9.0026 558122.8419 -3.3793 -3.2836 PRESSURE: 2252800 -71.3152 49.2133 -66.5102 49.2142 238.461 45.5654 -66.5103 45.5638 64.3787 GPRESSURE: 2252800 -33.9491 34.9507 -141.959 120.262 259.722 92.6674 -16.2778 18.2247 114.412 PRESSAVG: 2252800 15.9354 -40.3482 -17.4702 -40.3481 69.9364 -15.4419 -17.4702 -15.4418 -43.761 GPRESSAVG: 2252800 15.0616 -38.5828 -18.0701 -41.0765 70.3492 -12.8522 -17.3329 -15.9102 -44.0507 TIMING: 2252800 CPU: 6536.55, 0.00289691/step Wall: 6536.55, 0.00289691/step, 2.21066 hours remaining, 207.074219 MB of memory in use. ENERGY: 2252800 706.9274 2053.1911 1982.2706 119.5808 -206447.1902 18004.2437 0.0000 0.0000 34400.5994 -149180.3772 300.4290 -183580.9766 -149081.4525 299.0331 77.1749 113.3951 556406.3389 14.0370 13.7867 PRESSURE: 2253000 -161.523 91.725 166.382 91.7259 -13.2071 -152.935 166.383 -152.934 -14.6467 GPRESSURE: 2253000 -137.26 61.6752 156.852 111.017 78.1341 -124.865 134.965 -124.909 -32.3119 PRESSAVG: 2253000 17.6307 -11.9233 -22.6218 -11.9233 31.2423 -26.8918 -22.6218 -26.8919 -49.7503 GPRESSAVG: 2253000 18.2989 -13.9158 -20.5908 -10.531 31.997 -26.1482 -23.2182 -28.2897 -50.7752 TIMING: 2253000 CPU: 6537.13, 0.00290244/step Wall: 6537.13, 0.00290244/step, 2.21472 hours remaining, 207.175781 MB of memory in use. ENERGY: 2253000 748.2106 2028.4806 1965.5256 130.2219 -206038.3273 17760.3385 0.0000 0.0000 34261.9878 -149143.5624 299.2185 -183405.5502 -149045.7864 299.5357 -63.1255 -30.4794 559041.1655 -0.2924 -0.1598 PRESSURE: 2253200 -217.583 3.27452 41.4648 3.27478 -6.01246 -35.0673 41.4648 -35.0673 -117.26 GPRESSURE: 2253200 -190.975 -87.4718 72.3388 44.755 18.0085 -20.516 125.51 -32.359 -62.4936 PRESSAVG: 2253200 -11.2739 4.64248 -12.3345 4.64248 -2.41619 12.5509 -12.3346 12.5508 -0.47729 GPRESSAVG: 2253200 -9.91544 5.47396 -14.9402 3.0691 -4.01582 11.8021 -11.2538 13.5534 -0.5468 TIMING: 2253200 CPU: 6537.72, 0.0029207/step Wall: 6537.72, 0.0029207/step, 2.22849 hours remaining, 207.175781 MB of memory in use. ENERGY: 2253200 765.6445 2074.2352 1992.7068 104.1183 -206194.5303 17844.0345 0.0000 0.0000 34405.0829 -149008.7081 300.4681 -183413.7910 -148910.4313 299.5682 -113.6186 -78.4866 559150.2608 -4.7225 -4.8260 PRESSURE: 2253400 -227.209 -90.672 82.6654 -90.672 -50.5835 70.184 82.6657 70.1869 -255.962 GPRESSURE: 2253400 -170.43 -27.9711 13.0274 -119.495 -14.1785 93.9005 119.99 30.8025 -252.512 PRESSAVG: 2253400 38.521 -7.89873 70.1474 -7.89865 -24.6467 28.0698 70.1474 28.0699 5.04075 GPRESSAVG: 2253400 37.4113 -5.96384 72.6096 -11.1423 -24.5301 27.3461 68.0156 27.3915 6.49866 TIMING: 2253400 CPU: 6538.3, 0.00290363/step Wall: 6538.3, 0.00290363/step, 2.21531 hours remaining, 207.175781 MB of memory in use. ENERGY: 2253400 773.7184 2135.5920 1950.9529 110.8961 -205917.1168 17647.7874 0.0000 0.0000 34215.9183 -149082.2518 298.8161 -183298.1701 -148992.8911 299.7292 -177.9180 -145.7070 558976.2088 6.3050 6.4600 PRESSURE: 2253600 -154.844 36.8062 -78.6424 36.806 -36.259 -28.8374 -78.6416 -28.839 -252.218 GPRESSURE: 2253600 -111.031 -4.58277 -72.224 60.7495 -21.1279 -101.741 64.3676 19.0181 -226.145 PRESSAVG: 2253600 -86.246 -4.48822 62.8014 -4.48832 74.0746 65.9751 62.8014 65.9751 3.57699 GPRESSAVG: 2253600 -85.255 -5.35296 59.3162 -1.03255 74.3043 65.4228 66.1584 65.6666 2.6123 TIMING: 2253600 CPU: 6538.88, 0.00290739/step Wall: 6538.88, 0.00290739/step, 2.21801 hours remaining, 207.175781 MB of memory in use. ENERGY: 2253600 723.7173 2155.2081 1953.9069 122.8742 -205954.0304 17467.5208 0.0000 0.0000 34351.8634 -149178.9398 300.0034 -183530.8032 -149077.0795 298.7765 -147.7734 -119.4347 558548.8441 -2.8648 -2.7795 PRESSURE: 2253800 14.5793 -6.66652 -21.9642 -6.66705 -241.724 -54.0629 -21.9643 -54.0622 -9.34578 GPRESSURE: 2253800 5.76347 -44.4924 52.8348 94.887 -162.416 -44.7432 -117.746 -77.2483 16.4007 PRESSAVG: 2253800 -5.08268 22.2414 -5.51059 22.2413 13.2137 22.7101 -5.5106 22.7101 28.6473 GPRESSAVG: 2253800 -5.35006 21.9056 -3.11995 20.6182 12.0471 24.6922 -9.09598 20.2177 29.9327 TIMING: 2253800 CPU: 6539.46, 0.00291569/step Wall: 6539.46, 0.00291569/step, 2.22419 hours remaining, 207.175781 MB of memory in use. ENERGY: 2253800 740.2173 2125.6263 1969.7492 115.4021 -205979.3309 17766.4396 0.0000 0.0000 34174.8147 -149087.0817 298.4572 -183261.8964 -148986.8576 298.8906 -78.8301 -46.7505 557284.3686 12.2594 12.2099 PRESSURE: 2254000 101.538 -31.1552 65.0244 -31.1559 -50.4466 -18.6661 65.0246 -18.6649 26.8165 GPRESSURE: 2254000 64.4253 10.5713 24.5818 57.7444 22.2642 48.5784 41.1951 -120.47 70.3757 PRESSAVG: 2254000 22.3246 -7.54199 -0.677519 -7.54198 -37.4977 -10.7998 -0.677436 -10.7999 4.44435 GPRESSAVG: 2254000 21.5856 -7.01504 -1.82201 -5.15214 -34.7783 -10.2198 1.13557 -8.56901 2.49516 TIMING: 2254000 CPU: 6540.04, 0.00289942/step Wall: 6540.04, 0.00289942/step, 2.21162 hours remaining, 207.175781 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: 2254000 754.7761 2113.4588 1983.9003 123.6203 -206312.7051 17872.3757 0.0000 0.0000 34349.0380 -149115.5357 299.9787 -183464.5737 -149021.1985 299.8667 25.9692 52.3551 556082.9022 -3.5763 -3.5658 PRESSURE: 2254200 -135.331 42.7167 28.0074 42.7171 63.1999 -171.637 28.007 -171.638 -60.8667 GPRESSURE: 2254200 -174.414 -12.4421 47.0088 109.016 110.433 -219.952 38.2727 -174.716 37.7081 PRESSAVG: 2254200 -60.2021 -22.9461 -17.904 -22.946 29.5186 -28.06 -17.904 -28.0599 61.918 GPRESSAVG: 2254200 -60.4212 -23.9589 -16.5186 -24.0517 27.7037 -30.7696 -16.7115 -27.2179 63.9308 TIMING: 2254200 CPU: 6540.62, 0.00289762/step Wall: 6540.62, 0.00289762/step, 2.21008 hours remaining, 207.175781 MB of memory in use. ENERGY: 2254200 763.6540 2113.8439 1973.4155 112.5569 -206262.9639 18001.0723 0.0000 0.0000 34367.9239 -148930.4974 300.1436 -183298.4213 -148842.6549 299.5017 -44.3325 -8.7579 557324.4956 10.4115 10.4044 PRESSURE: 2254400 -101.203 -58.675 113.295 -58.6746 53.5805 227.325 113.296 227.323 31.4695 GPRESSURE: 2254400 -32.4827 -64.4761 80.4739 -149.2 62.0322 166.102 147.661 265.44 34.3612 PRESSAVG: 2254400 -11.0561 34.0883 5.04729 34.0884 29.1414 -15.2308 5.04729 -15.2308 16.8837 GPRESSAVG: 2254400 -9.62542 34.0258 4.02108 34.3057 30.366 -12.3045 4.66733 -17.1054 14.9516 TIMING: 2254400 CPU: 6541.2, 0.00290532/step Wall: 6541.2, 0.00290531/step, 2.21579 hours remaining, 207.175781 MB of memory in use. ENERGY: 2254400 792.6480 2106.1942 1984.6955 109.8221 -205919.6052 17742.5897 0.0000 0.0000 34477.7143 -148705.9414 301.1025 -183183.6557 -148615.6826 299.9007 -5.3842 21.3036 557790.7419 11.6564 11.8974 PRESSURE: 2254600 -332.991 54.3441 -31.3157 54.3444 -550.374 6.14746 -31.315 6.14673 -158.233 GPRESSURE: 2254600 -333.132 129.614 -93.0466 75.6843 -514.344 -10.1799 49.9713 7.56429 -93.8223 PRESSAVG: 2254600 -53.8174 8.28964 -24.9934 8.28963 23.7231 10.7123 -24.9934 10.7123 18.9255 GPRESSAVG: 2254600 -54.4159 8.61451 -24.3243 7.60744 23.2738 9.11202 -26.372 13.7542 19.7491 TIMING: 2254600 CPU: 6541.79, 0.0029342/step Wall: 6541.79, 0.00293421/step, 2.23766 hours remaining, 207.175781 MB of memory in use. ENERGY: 2254600 781.5606 2098.1493 1984.2682 110.9019 -205199.7263 17154.7104 0.0000 0.0000 34327.3336 -148742.8022 299.7891 -183070.1358 -148651.2940 300.3373 -347.1994 -313.7663 557409.7600 -3.7230 -3.7977 PRESSURE: 2254800 30.4377 -14.8208 -74.4389 -14.8222 -315.502 -73.6393 -74.4384 -73.6389 -479.102 GPRESSURE: 2254800 -8.10458 87.2952 27.3242 -11.2408 -219.555 -4.90306 -138.649 -169.722 -427.047 PRESSAVG: 2254800 20.4871 46.4085 -58.6739 46.4084 -23.7299 -33.3988 -58.6739 -33.3988 -13.4858 GPRESSAVG: 2254800 19.8534 45.7711 -56.6981 47.1606 -23.6996 -34.5902 -57.3056 -34.6092 -12.877 TIMING: 2254800 CPU: 6542.37, 0.00291652/step Wall: 6542.37, 0.00291652/step, 2.224 hours remaining, 207.175781 MB of memory in use. ENERGY: 2254800 764.8332 2118.5568 1976.5600 129.8100 -205616.9339 17441.1243 0.0000 0.0000 34303.5771 -148882.4725 299.5817 -183186.0497 -148783.1162 300.3572 -254.7220 -218.2354 557666.1597 -5.5762 -5.5744 PRESSURE: 2255000 173.123 -65.679 4.01808 -65.6782 14.781 -53.6051 4.01853 -53.6044 -328.53 GPRESSURE: 2255000 214.237 -9.24451 24.2583 -102.258 12.8534 -26.8423 1.50321 5.43368 -272.461 PRESSAVG: 2255000 12.3479 -26.9747 25.5443 -26.9748 30.4204 -32.2841 25.5442 -32.2841 -79.9593 GPRESSAVG: 2255000 12.3691 -28.4112 25.3255 -27.0877 29.9329 -32.1068 21.8892 -31.0082 -79.7171 TIMING: 2255000 CPU: 6542.95, 0.00291748/step Wall: 6542.95, 0.00291748/step, 2.22458 hours remaining, 207.175781 MB of memory in use. ENERGY: 2255000 701.3441 2096.2741 1981.6913 122.0827 -205678.9100 17540.3160 0.0000 0.0000 34292.3092 -148944.8925 299.4833 -183237.2017 -148848.4629 300.1135 -46.8752 -15.1235 557084.0866 -12.3970 -12.4717 PRESSURE: 2255200 -222.714 -63.0077 129.941 -63.0089 -234.699 17.5103 129.942 17.5094 -26.9314 GPRESSURE: 2255200 -177.425 -9.75569 180.532 -31.412 -244.255 26.8786 86.6384 69.2247 22.7462 PRESSAVG: 2255200 -8.79544 -6.70267 34.6635 -6.70269 19.227 0.420998 34.6635 0.420718 -3.85216 GPRESSAVG: 2255200 -8.69069 -6.21575 31.5576 -4.96624 19.3848 -0.174216 36.7723 0.11755 -3.61042 TIMING: 2255200 CPU: 6543.54, 0.00292589/step Wall: 6543.54, 0.00292589/step, 2.23083 hours remaining, 207.175781 MB of memory in use. ENERGY: 2255200 754.0550 2083.5336 1983.6521 123.1329 -205504.1655 17393.9462 0.0000 0.0000 34263.2045 -148902.6411 299.2291 -183165.8456 -148808.7689 300.2983 -161.4481 -132.9782 557923.0817 2.1931 2.3612 PRESSURE: 2255400 -139.84 78.725 80.1766 78.7253 168.947 125.312 80.1756 125.314 17.0052 GPRESSURE: 2255400 -122.197 81.2365 32.9561 70.6301 164.928 88.967 122.196 150.178 96.2067 PRESSAVG: 2255400 -45.5748 71 45.0517 71 62.0432 57.2231 45.0518 57.2231 35.8654 GPRESSAVG: 2255400 -45.883 72.6592 47.0625 68.7944 61.123 58.5256 45.7237 53.6905 36.996 TIMING: 2255400 CPU: 6544.12, 0.00290499/step Wall: 6544.12, 0.00290499/step, 2.21473 hours remaining, 207.175781 MB of memory in use. ENERGY: 2255400 757.1312 2126.1147 1987.2523 107.9614 -206571.0030 17853.9887 0.0000 0.0000 34611.2682 -149127.2865 302.2688 -183738.5547 -149026.4734 300.3206 15.3707 46.3128 557486.7721 17.4446 17.4120 PRESSURE: 2255600 -114.637 25.0095 -120.557 25.0098 -105.226 -84.9935 -120.556 -84.9931 -53.6404 GPRESSURE: 2255600 -97.2423 52.2135 -94.9245 -33.3659 -49.6927 -69.1621 -151.026 -124.828 -25.3348 PRESSAVG: 2255600 -35.5121 -19.7407 27.4564 -19.7407 -38.6041 59.3731 27.4566 59.3731 23.6861 GPRESSAVG: 2255600 -36.099 -20.9559 27.2184 -19.7918 -37.308 57.3693 29.1197 62.2424 23.0595 TIMING: 2255600 CPU: 6544.71, 0.00292462/step Wall: 6544.71, 0.00292462/step, 2.22954 hours remaining, 207.175781 MB of memory in use. ENERGY: 2255600 735.6692 2114.3406 1959.7466 114.3493 -206168.3458 17572.6223 0.0000 0.0000 34606.1758 -149065.4421 302.2243 -183671.6179 -148967.7503 300.0836 -91.1679 -57.4233 556682.8908 -16.8100 -16.7825 PRESSURE: 2255800 -167.434 -15.733 -5.49911 -15.7319 28.6832 -9.1588 -5.49879 -9.1597 124.467 GPRESSURE: 2255800 -121.177 -4.38781 -51.0882 15.4926 58.8105 58.8373 -50.5593 -17.8793 163.041 PRESSAVG: 2255800 -87.5838 78.3114 19.7717 78.3114 31.1228 -17.1741 19.7717 -17.1741 42.6521 GPRESSAVG: 2255800 -87.1366 78.5224 20.1098 79.7697 30.6801 -17.3223 17.4862 -17.2531 42.4318 TIMING: 2255800 CPU: 6545.29, 0.00293611/step Wall: 6545.29, 0.00293611/step, 2.23813 hours remaining, 207.175781 MB of memory in use. ENERGY: 2255800 772.0189 2099.0860 1989.4391 111.6425 -206199.7310 17659.0317 0.0000 0.0000 34422.1370 -149146.3759 300.6171 -183568.5128 -149050.9530 299.7383 -4.7613 33.5580 555071.9744 -4.6030 -4.6749 PRESSURE: 2256000 -35.3453 73.461 46.1437 73.4614 87.4113 -57.1541 46.1438 -57.1528 -12.9148 GPRESSURE: 2256000 5.26879 74.9541 99.1323 58.6005 87.9667 -26.8487 27.2137 -20.9006 63.8775 PRESSAVG: 2256000 -50.112 52.6234 37.4805 52.6235 43.3475 38.6149 37.4805 38.6151 49.4879 GPRESSAVG: 2256000 -51.1055 51.6004 36.6916 51.6121 43.1824 40.712 37.5113 37.8274 50.4332 TIMING: 2256000 CPU: 6545.88, 0.00291771/step Wall: 6545.88, 0.00291771/step, 2.22395 hours remaining, 207.175781 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: 2256000 724.4914 2015.3362 1973.4826 107.1137 -206163.3647 17695.1237 0.0000 0.0000 34332.8446 -149314.9724 299.8373 -183647.8171 -149211.2498 299.2599 13.0504 52.3710 556072.6311 14.2411 14.1700 PRESSURE: 2256200 -130.238 -35.9515 22.1509 -35.952 -1.72999 62.9362 22.1519 62.9378 -57.4223 GPRESSURE: 2256200 -132.739 -75.0887 25.0681 20.458 61.5052 72.6356 8.03042 45.8265 -29.9783 PRESSAVG: 2256200 -75.9659 36.171 34.5013 36.171 35.3998 21.3315 34.5014 21.3314 12.197 GPRESSAVG: 2256200 -75.5219 40.7889 34.6621 34.2216 36.0795 21.1647 34.7267 22.074 10.73 TIMING: 2256200 CPU: 6546.46, 0.00289432/step Wall: 6546.46, 0.00289432/step, 2.20596 hours remaining, 207.175781 MB of memory in use. ENERGY: 2256200 724.9601 2034.9372 1959.3526 118.2778 -205917.5171 17706.9310 0.0000 0.0000 34004.7824 -149368.2761 296.9722 -183373.0585 -149271.1486 298.4263 -63.1301 -33.7375 557143.6830 -9.4564 -9.5708 LDB: ============= START OF LOAD BALANCING ============== 6549.92 LDB: ============== END OF LOAD BALANCING =============== 6549.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6549.92 LDB: ============= START OF LOAD BALANCING ============== 6550.21 LDB: Largest compute 4821 load 0.029429 is 25.0% of average load 0.117729 LDB: Average compute 0.001735 is 1.5% of average load 0.117729 LDB: TIME 6550.21 LOAD: AVG 0.117729 MAX 0.179594 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 6550.21 LOAD: AVG 0.117729 MAX 0.179595 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: TIME 6550.21 LOAD: AVG 0.117729 MAX 0.179595 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping 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 ================ 6550.22 PRESSURE: 2256400 71.0509 55.5777 0.442922 55.5765 46.1603 95.3941 0.443069 95.3936 60.0228 GPRESSURE: 2256400 92.4393 -25.7743 35.4694 116.41 75.6174 111.427 17.4393 146.439 119.252 PRESSAVG: 2256400 -5.89178 17.2227 17.1794 17.2228 -46.7712 33.062 17.1794 33.0621 74.0571 GPRESSAVG: 2256400 -6.44682 14.9911 16.5489 19.155 -46.4722 32.6265 17.1417 33.3684 74.4144 TIMING: 2256400 CPU: 6547.05, 0.00294989/step Wall: 6547.05, 0.00294989/step, 2.24814 hours remaining, 206.957031 MB of memory in use. ENERGY: 2256400 761.4525 2075.5423 1970.2581 118.6846 -206282.7432 17835.0690 0.0000 0.0000 34210.2021 -149311.5347 298.7662 -183521.7368 -149224.7407 298.6666 59.0780 95.7695 557647.9842 7.1314 7.1651 PRESSURE: 2256600 89.7968 -10.9908 195.753 -10.9898 -374.184 20.1224 195.752 20.1215 37.8697 GPRESSURE: 2256600 112.297 39.2423 202.114 -9.25882 -330.209 -5.15452 177.583 -71.8464 69.6942 PRESSAVG: 2256600 15.7191 6.01972 13.3313 6.01969 -32.5218 7.75162 13.3314 7.75166 53.8062 GPRESSAVG: 2256600 15.4662 4.93369 12.6705 6.37726 -33.0796 5.91388 13.3864 8.37741 54.4681 TIMING: 2256600 CPU: 6547.63, 0.00291523/step Wall: 6547.63, 0.00291523/step, 2.22157 hours remaining, 207.160156 MB of memory in use. ENERGY: 2256600 741.7156 2075.9718 1961.8402 112.6031 -205890.7428 17528.7894 0.0000 0.0000 34066.6223 -149403.2003 297.5123 -183469.8226 -149306.1417 298.5173 -82.1725 -49.4061 556382.0926 12.3345 12.2849 PRESSURE: 2256800 -20.7729 171.274 18.2596 171.274 -248.405 247.185 18.2599 247.186 30.4204 GPRESSURE: 2256800 -6.90384 134.189 -46.0823 133.561 -209.953 127.862 65.5698 242.609 74.2092 PRESSAVG: 2256800 -23.7157 18.9011 39.0039 18.901 -83.7204 49.1759 39.004 49.1759 73.6286 GPRESSAVG: 2256800 -22.9975 19.4728 39.1779 17.565 -84.1844 48.8575 38.599 48.8784 73.215 TIMING: 2256800 CPU: 6548.21, 0.00292105/step Wall: 6548.21, 0.00292105/step, 2.22584 hours remaining, 207.261719 MB of memory in use. ENERGY: 2256800 737.7060 2096.7969 1976.7110 114.7394 -205865.5210 17518.9755 0.0000 0.0000 34018.5899 -149402.0022 297.0928 -183420.5921 -149303.4952 298.2862 -79.5858 -47.5493 555239.7050 -11.2692 -11.3223 PRESSURE: 2257000 -57.5391 -118.285 0.344057 -118.286 -185.548 -205.325 0.343612 -205.325 -88.5679 GPRESSURE: 2257000 -37.438 -111.767 -12.7545 -171.511 -101.448 -230.539 -1.67394 -113.545 -78.522 PRESSAVG: 2257000 -9.68195 34.3013 16.2452 34.3012 18.1837 7.30211 16.2452 7.30221 28.6568 GPRESSAVG: 2257000 -8.17743 34.5323 15.5905 35.4606 18.0705 8.7672 16.9187 7.54622 27.4454 TIMING: 2257000 CPU: 6548.8, 0.00291684/step Wall: 6548.8, 0.00291684/step, 2.22247 hours remaining, 207.261719 MB of memory in use. ENERGY: 2257000 759.0024 2105.9115 1960.1394 120.5883 -206146.9364 17669.4482 0.0000 0.0000 34343.0039 -149188.8427 299.9260 -183531.8466 -149087.7617 298.8268 -110.5518 -72.4693 557594.7735 12.3862 12.4462 PRESSURE: 2257200 115.288 18.1293 -151.344 18.129 225.581 98.0769 -151.346 98.076 39.7752 GPRESSURE: 2257200 161.455 3.29272 -135.517 14.6875 214.622 136.907 -188.067 125.391 85.5337 PRESSAVG: 2257200 44.1868 -3.74491 3.27411 -3.74485 -45.8204 13.6761 3.27416 13.6761 26.3316 GPRESSAVG: 2257200 42.963 -2.32836 4.12464 -5.71761 -45.5843 15.8445 2.33774 12.7281 27.1364 TIMING: 2257200 CPU: 6549.38, 0.00289989/step Wall: 6549.38, 0.00289989/step, 2.2094 hours remaining, 207.261719 MB of memory in use. ENERGY: 2257200 738.1240 2063.4648 1949.2943 99.7512 -205988.9604 17835.0275 0.0000 0.0000 34189.1848 -149114.1137 298.5827 -183303.2985 -149017.1214 299.1837 126.8812 153.8702 557218.8753 8.2327 8.1717 PRESSURE: 2257400 -51.7046 -198.841 20.3701 -198.842 -1.03428 79.2599 20.3695 79.2584 -217.108 GPRESSURE: 2257400 -29.3566 -209.694 -103.562 -170.043 5.70695 92.6208 155.995 58.8974 -161.524 PRESSAVG: 2257400 -72.1055 -15.6636 -21.5261 -15.6635 13.6251 -5.63201 -21.5261 -5.63208 52.5384 GPRESSAVG: 2257400 -71.258 -17.8401 -21.879 -14.5224 13.4917 -8.19685 -21.4016 -3.93255 52.1409 TIMING: 2257400 CPU: 6549.96, 0.00291896/step Wall: 6549.96, 0.00291896/step, 2.22376 hours remaining, 207.261719 MB of memory in use. ENERGY: 2257400 769.6112 2039.9697 1959.7326 115.3077 -206224.3100 17731.2339 0.0000 0.0000 34488.7883 -149119.6667 301.1992 -183608.4550 -149017.8764 298.9598 -89.9491 -61.7245 557822.2619 -1.9807 -1.8751 PRESSURE: 2257600 -155.659 65.5551 37.5599 65.5553 -183.716 -0.674654 37.5595 -0.675818 -151.001 GPRESSURE: 2257600 -97.417 113.426 3.95594 32.8001 -150.877 -102.096 133.64 49.7349 -140.584 PRESSAVG: 2257600 26.7566 9.30979 -11.773 9.30969 37.3549 20.8664 -11.7729 20.8663 -32.8473 GPRESSAVG: 2257600 25.9467 10.0603 -9.0716 9.91479 38.9632 21.8205 -10.9475 19.6529 -32.6521 TIMING: 2257600 CPU: 6550.55, 0.0029265/step Wall: 6550.55, 0.0029265/step, 2.22935 hours remaining, 207.261719 MB of memory in use. ENERGY: 2257600 784.0344 2081.1397 1979.6774 108.9720 -205851.3568 17514.9712 0.0000 0.0000 34229.5973 -149152.9648 298.9356 -183382.5621 -149058.2992 299.6191 -163.4584 -129.6260 557063.7620 10.4214 10.7526 PRESSURE: 2257800 94.182 23.7561 -42.1728 23.7559 -208.743 -99.2825 -42.173 -99.2825 -182.799 GPRESSURE: 2257800 79.9337 9.55966 -103.498 -28.0251 -134.279 12.5506 26.5359 -124.233 -130.706 PRESSAVG: 2257800 41.1047 0.00614376 47.1996 0.00607148 7.7191 -30.0053 47.1996 -30.0053 -57.6196 GPRESSAVG: 2257800 42.0847 0.421766 45.6089 -0.738159 8.63287 -32.8921 45.8165 -29.3346 -59.1658 TIMING: 2257800 CPU: 6551.13, 0.00292735/step Wall: 6551.13, 0.00292735/step, 2.22983 hours remaining, 207.261719 MB of memory in use. ENERGY: 2257800 764.6024 2046.1721 1928.1269 115.6400 -206372.5289 17760.1622 0.0000 0.0000 34436.1519 -149321.6733 300.7395 -183757.8252 -149214.3512 298.9493 -99.1200 -61.6836 558350.1964 -2.9320 -2.8161 PRESSURE: 2258000 63.5684 -29.2527 -115.846 -29.2533 0.00975156 41.6582 -115.847 41.6578 73.4548 GPRESSURE: 2258000 109.69 -38.5728 -193.483 14.2353 6.29691 83.54 -47.4347 82.6341 112.283 PRESSAVG: 2258000 30.0895 3.26732 -7.30681 3.26735 -14.5005 -16.0487 -7.30676 -16.0486 0.0202 GPRESSAVG: 2258000 29.3154 1.80542 -7.36846 3.95171 -16.7106 -14.061 -6.01912 -15.8286 2.67951 TIMING: 2258000 CPU: 6551.71, 0.00288183/step Wall: 6551.71, 0.00288183/step, 2.19499 hours remaining, 207.261719 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: 2258000 731.1645 2085.5898 1963.6912 102.3402 -206302.4723 17936.9656 0.0000 0.0000 34299.4077 -149183.3132 299.5453 -183482.7209 -149097.2818 298.8361 45.6777 76.0901 557172.6145 5.2031 5.0947 PRESSURE: 2258200 -146.472 -136.753 12.1424 -136.753 -39.9611 32.723 12.1437 32.7219 -7.84255 GPRESSURE: 2258200 -100.752 -153.312 -47.5285 -163.465 -70.2849 44.2733 62.1686 40.4347 72.3508 PRESSAVG: 2258200 -12.6534 26.323 -19.7985 26.3229 2.07099 17.7544 -19.7985 17.7544 45.6757 GPRESSAVG: 2258200 -12.6634 27.176 -20.3311 27.4622 3.588 17.936 -21.8027 17.5377 44.1998 TIMING: 2258200 CPU: 6552.29, 0.00289926/step Wall: 6552.29, 0.00289926/step, 2.20811 hours remaining, 207.261719 MB of memory in use. ENERGY: 2258200 749.4547 2080.5838 1958.9204 95.0954 -205996.7916 17543.0084 0.0000 0.0000 34260.5442 -149309.1847 299.2059 -183569.7289 -149213.3949 299.4913 -64.7586 -32.8953 557446.6859 11.6978 11.7081 PRESSURE: 2258400 -16.8976 79.8077 -119.538 79.8095 160.766 -67.7442 -119.538 -67.7428 57.0832 GPRESSURE: 2258400 26.7163 23.5772 -140.778 58.23 204.364 -10.5099 -119.168 -4.63113 68.9428 PRESSAVG: 2258400 8.65732 18.3373 24.4131 18.3374 41.2107 40.1003 24.4132 40.1002 -15.0182 GPRESSAVG: 2258400 9.30672 16.7092 25.7754 19.0832 40.6368 39.985 25.9109 39.8671 -15.0983 TIMING: 2258400 CPU: 6552.87, 0.0029081/step Wall: 6552.87, 0.0029081/step, 2.21468 hours remaining, 207.261719 MB of memory in use. ENERGY: 2258400 759.8407 2112.0587 1954.0853 129.2041 -206426.9335 17985.6535 0.0000 0.0000 34009.3605 -149476.7306 297.0122 -183486.0911 -149388.7915 298.7575 66.9840 100.0077 556193.5525 11.6166 11.6151 PRESSURE: 2258600 -10.6742 45.2147 23.9593 45.2146 -83.3153 4.43142 23.9591 4.42994 -250.019 GPRESSURE: 2258600 60.7826 11.5166 80.1134 40.3949 -103.075 53.4783 -4.13086 -23.0185 -229.395 PRESSAVG: 2258600 9.86798 -31.8529 -76.3714 -31.8529 4.33391 23.7804 -76.3714 23.7805 -7.40265 GPRESSAVG: 2258600 10.5098 -31.1356 -77.2366 -33.6691 4.03588 24.0761 -77.2336 22.5203 -7.94751 TIMING: 2258600 CPU: 6553.45, 0.00291346/step Wall: 6553.45, 0.00291346/step, 2.2186 hours remaining, 207.261719 MB of memory in use. ENERGY: 2258600 738.8210 2044.2473 1968.0807 117.1973 -206189.1223 17605.2156 0.0000 0.0000 34284.6968 -149430.8634 299.4168 -183715.5602 -149329.6403 298.4302 -114.6695 -90.5626 555982.3321 2.2664 2.1994 PRESSURE: 2258800 -84.2328 -31.2325 44.9461 -31.233 -319.472 3.51915 44.9464 3.51887 -139.153 GPRESSURE: 2258800 -62.7069 -45.0364 106.687 -77.2169 -219.821 13.7717 70.5265 -10.598 -168.62 PRESSAVG: 2258800 41.0306 27.2941 2.58035 27.294 -34.2144 17.6136 2.58031 17.6135 -40.2002 GPRESSAVG: 2258800 40.574 25.9618 1.91977 27.6132 -33.9076 18.3352 4.98051 19.7993 -39.9448 TIMING: 2258800 CPU: 6554.03, 0.00290454/step Wall: 6554.03, 0.00290454/step, 2.21165 hours remaining, 207.261719 MB of memory in use. ENERGY: 2258800 747.4391 2059.6835 1954.2781 114.3732 -206099.4676 17454.5146 0.0000 0.0000 34423.8427 -149345.3365 300.6320 -183769.1792 -149243.5168 299.1899 -180.9524 -150.3829 556522.4527 -11.1280 -11.0928 PRESSURE: 2259000 -79.758 110.53 64.3699 110.53 -99.6947 -49.2168 64.3704 -49.2165 31.8174 GPRESSURE: 2259000 -15.3411 108.286 89.8296 120.88 -40.1906 -69.9376 89.1844 -4.1377 4.95501 PRESSAVG: 2259000 77.0173 26.2089 -25.7375 26.2088 19.1791 -4.66318 -25.7375 -4.66321 -1.27071 GPRESSAVG: 2259000 76.2116 27.2417 -26.3232 26.2269 18.5609 -6.13255 -28.9006 -5.84058 -0.231492 TIMING: 2259000 CPU: 6554.61, 0.00289209/step Wall: 6554.61, 0.00289209/step, 2.20201 hours remaining, 207.261719 MB of memory in use. ENERGY: 2259000 727.5569 2047.1899 1965.1252 123.3687 -206158.7365 17714.3283 0.0000 0.0000 34330.4849 -149250.6826 299.8167 -183581.1675 -149156.1831 299.4015 -49.2118 -16.8589 557227.4010 31.6419 31.5137 PRESSURE: 2259200 57.4818 71.1571 -100.488 71.1568 -61.9374 143.563 -100.487 143.562 17.3509 GPRESSURE: 2259200 118.346 58.5938 -26.6778 69.2845 -4.11805 115.215 -139.891 59.2651 19.6262 PRESSAVG: 2259200 46.7515 57.9756 13.7577 57.9756 -28.8621 -31.7163 13.7577 -31.7163 -40.2936 GPRESSAVG: 2259200 46.4005 58.3999 15.274 58.2664 -27.2271 -29.7333 14.8084 -32.4811 -41.3954 TIMING: 2259200 CPU: 6555.19, 0.00288369/step Wall: 6555.19, 0.00288369/step, 2.19545 hours remaining, 207.261719 MB of memory in use. ENERGY: 2259200 718.7185 2114.7383 1966.4010 108.5092 -205731.0808 17633.7094 0.0000 0.0000 34195.4650 -148993.5395 298.6375 -183189.0045 -148897.4378 299.6199 4.2984 44.6181 556950.1241 -7.4681 -7.4073 PRESSURE: 2259400 147.212 -85.4532 -218.893 -85.4539 185.017 -106.222 -218.895 -106.219 177.412 GPRESSURE: 2259400 174.792 -122.085 -232.313 -24.4073 198.758 -87.52 -173.465 -82.8267 238.902 PRESSAVG: 2259400 -21.6725 -17.4732 -1.93802 -17.4732 47.7032 -6.1942 -1.93795 -6.19417 -11.979 GPRESSAVG: 2259400 -20.7372 -16.9104 -3.05 -17.5611 45.9014 -6.5055 -2.18632 -6.00246 -11.2888 TIMING: 2259400 CPU: 6555.77, 0.00288999/step Wall: 6555.77, 0.00288999/step, 2.20008 hours remaining, 207.261719 MB of memory in use. ENERGY: 2259400 722.3683 2034.3547 1990.2610 114.1697 -206225.8432 18092.1781 0.0000 0.0000 34365.6548 -148906.8565 300.1238 -183272.5113 -148805.3007 300.0632 169.8804 204.1507 557907.0224 4.6839 4.6251 PRESSURE: 2259600 85.0023 -122.305 -57.8597 -122.306 99.8879 -38.4014 -57.8588 -38.4005 13.8721 GPRESSURE: 2259600 48.8641 -120.905 -93.3276 -72.9501 182.81 61.0113 -19.5059 -139.469 57.2876 PRESSAVG: 2259600 8.54758 1.5047 -6.65196 1.50476 25.1492 -48.3538 -6.65202 -48.3538 21.2698 GPRESSAVG: 2259600 8.04961 2.12972 -7.13621 -0.11502 25.8185 -47.7888 -4.37512 -47.6764 20.924 TIMING: 2259600 CPU: 6556.35, 0.00290964/step Wall: 6556.35, 0.00290964/step, 2.21488 hours remaining, 207.261719 MB of memory in use. ENERGY: 2259600 733.9873 2051.3017 1970.2094 112.2579 -206086.2794 17781.0648 0.0000 0.0000 34273.1407 -149164.3174 299.3159 -183437.4582 -149069.7612 299.2370 66.2541 96.3207 556585.8245 18.3222 18.2640 PRESSURE: 2259800 -198.114 72.4524 -141.288 72.4529 -105.138 129.215 -141.288 129.214 -154.304 GPRESSURE: 2259800 -143.724 62.7379 -47.5655 10.7564 -56.2917 128.799 -126.86 162.869 -154.839 PRESSAVG: 2259800 78.0948 -1.30242 -26.1506 -1.30239 -79.2157 27.6702 -26.1505 27.6702 12.7765 GPRESSAVG: 2259800 78.2503 -2.80806 -24.0277 0.864207 -79.1537 23.6127 -28.305 30.5129 12.2707 TIMING: 2259800 CPU: 6556.93, 0.002918/step Wall: 6556.93, 0.002918/step, 2.22108 hours remaining, 207.261719 MB of memory in use. ENERGY: 2259800 739.6797 2081.6411 1990.5956 114.2028 -205720.8713 17536.4598 0.0000 0.0000 34349.0507 -148909.2416 299.9788 -183258.2923 -148814.7781 299.2653 -152.5189 -118.2850 558311.4524 3.8852 3.7891 PRESSURE: 2260000 -296.838 4.96763 -11.7053 4.96763 41.0598 -82.618 -11.7055 -82.6186 -122.713 GPRESSURE: 2260000 -276.058 26.3708 71.4113 -67.1139 110.799 -40.0928 -77.6315 -47.9961 -128.119 PRESSAVG: 2260000 -38.4545 -55.389 -4.6901 -55.3891 -30.9738 21.6181 -4.69008 21.6181 75.2255 GPRESSAVG: 2260000 -38.5044 -53.9 -7.0644 -54.0982 -30.3335 25.2538 -3.05498 19.1196 74.8511 TIMING: 2260000 CPU: 6557.51, 0.0028998/step Wall: 6557.51, 0.0028998/step, 2.20707 hours remaining, 207.261719 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: 2260000 714.6292 2114.8236 1970.4434 110.5979 -205635.6529 17647.7877 0.0000 0.0000 34083.7210 -148993.6501 297.6616 -183077.3711 -148905.2093 300.0252 -126.1635 -97.7929 558346.6870 1.9324 2.0044 PRESSURE: 2260200 -104.385 36.47 26.7313 36.4709 89.0576 -6.65367 26.732 -6.65355 114.166 GPRESSURE: 2260200 -60.722 -43.9637 3.71793 -6.54303 111.506 17.8427 95.9264 37.2329 129.932 PRESSAVG: 2260200 -20.37 -12.5105 -11.767 -12.5105 -37.2971 -9.20281 -11.7671 -9.20269 46.8372 GPRESSAVG: 2260200 -20.7201 -11.9724 -11.4353 -15.9487 -37.6871 -8.93596 -10.9036 -8.44083 47.5692 TIMING: 2260200 CPU: 6558.1, 0.00292759/step Wall: 6558.1, 0.00292759/step, 2.22806 hours remaining, 207.261719 MB of memory in use. ENERGY: 2260200 742.1262 2108.9889 1972.6571 117.8082 -206215.8828 17878.9050 0.0000 0.0000 34216.9213 -149178.4760 298.8249 -183395.3973 -149078.9419 299.8272 32.9462 60.2385 557896.0660 -3.6100 -3.6127 LDB: ============= START OF LOAD BALANCING ============== 6561.56 LDB: ============== END OF LOAD BALANCING =============== 6561.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.56 LDB: ============= START OF LOAD BALANCING ============== 6561.86 LDB: Largest compute 4820 load 0.029524 is 25.1% of average load 0.117679 LDB: Average compute 0.001728 is 1.5% of average load 0.117679 LDB: TIME 6561.86 LOAD: AVG 0.117679 MAX 0.175231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 6561.86 LOAD: AVG 0.117679 MAX 0.175231 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: TIME 6561.86 LOAD: AVG 0.117679 MAX 0.175231 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 6561.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6561.87 PRESSURE: 2260400 -107.196 -159.128 20.7827 -159.128 -151.253 -118.066 20.7834 -118.066 68.4027 GPRESSURE: 2260400 -83.5724 -86.3262 -107.596 -163.043 -112.23 -135.618 72.4861 -23.1586 99.142 PRESSAVG: 2260400 -1.69053 -43.3535 13.0495 -43.3535 -29.9706 -38.7157 13.0495 -38.7157 -9.34191 GPRESSAVG: 2260400 -1.46161 -43.7622 14.5872 -43.1374 -30.594 -40.9827 10.1901 -38.1888 -9.35564 TIMING: 2260400 CPU: 6558.69, 0.00297872/step Wall: 6558.69, 0.00297872/step, 2.26681 hours remaining, 206.281250 MB of memory in use. ENERGY: 2260400 750.8109 2082.4634 1982.1537 110.8694 -205856.1085 17705.7405 0.0000 0.0000 34173.7655 -149050.3051 298.4480 -183224.0706 -148954.5715 299.3828 -63.3487 -32.2202 558448.7693 -13.6677 -13.8038 PRESSURE: 2260600 -119.379 197.573 -12.5503 197.571 -120.225 -189.886 -12.5496 -189.886 -33.3198 GPRESSURE: 2260600 -91.7243 216.231 -62.8681 223.956 -33.0831 -192.161 56.1118 -185.851 -40.6309 PRESSAVG: 2260600 32.707 64.4958 1.46119 64.4957 29.4006 0.296775 1.46122 0.296781 -58.5642 GPRESSAVG: 2260600 32.8667 64.4472 0.189865 64.6771 30.1979 0.573288 2.75604 -3.25284 -59.1319 TIMING: 2260600 CPU: 6559.28, 0.002928/step Wall: 6559.28, 0.002928/step, 2.22804 hours remaining, 206.332031 MB of memory in use. ENERGY: 2260600 707.7499 2090.7505 1956.9242 107.9536 -205329.6341 17413.3136 0.0000 0.0000 34221.8937 -148831.0485 298.8683 -183052.9423 -148738.7980 300.4554 -90.9746 -55.1461 559666.4428 1.1811 1.3109 PRESSURE: 2260800 -65.9813 -174.863 -28.3902 -174.865 134.172 -10.6165 -28.3894 -10.6165 -46.8541 GPRESSURE: 2260800 -67.0578 -143.968 78.9853 -248.443 182.832 22.9859 -71.5535 -175.086 -1.83854 PRESSAVG: 2260800 -18.6326 -14.94 -12.6093 -14.9401 51.4853 -57.1294 -12.6093 -57.1293 -52.6087 GPRESSAVG: 2260800 -18.4256 -14.5067 -12.8014 -14.9511 50.8788 -55.8478 -11.9755 -54.8647 -52.57 TIMING: 2260800 CPU: 6559.86, 0.00292039/step Wall: 6559.86, 0.00292039/step, 2.22209 hours remaining, 206.332031 MB of memory in use. ENERGY: 2260800 720.0878 2094.5748 1972.1452 101.8744 -205843.2174 17776.8611 0.0000 0.0000 34479.8026 -148697.8715 301.1207 -183177.6741 -148597.1334 300.3974 7.1122 37.9785 557450.1832 -6.5853 -6.7056 PRESSURE: 2261000 -116.004 137.263 -4.25147 137.264 28.7904 -10.6854 -4.25064 -10.6849 -34.5283 GPRESSURE: 2261000 -75.399 94.2018 -55.9357 170.396 65.6169 -67.5494 -91.4737 -19.3624 -22.1792 PRESSAVG: 2261000 -25.086 -23.7261 0.798527 -23.7262 4.47244 -4.19797 0.798488 -4.19786 0.41768 GPRESSAVG: 2261000 -24.6168 -25.8607 1.19451 -20.7428 4.92399 -3.74321 -0.228732 -3.51432 -0.148794 TIMING: 2261000 CPU: 6560.44, 0.00290951/step Wall: 6560.44, 0.00290951/step, 2.21365 hours remaining, 206.332031 MB of memory in use. ENERGY: 2261000 737.5256 2103.2735 1972.2623 109.9549 -205839.7124 17785.5674 0.0000 0.0000 34371.6202 -148759.5085 300.1759 -183131.1287 -148660.7862 300.5836 -40.5807 -10.6538 558480.6061 -6.7320 -6.6139 PRESSURE: 2261200 31.3462 81.5725 63.2584 81.5729 2.44292 180.847 63.2594 180.848 -139.37 GPRESSURE: 2261200 119.371 43.2499 98.9209 119.388 -6.9516 150.805 77.5481 195.656 -100.231 PRESSAVG: 2261200 25.1737 7.73261 24.6766 7.73266 -2.62156 31.6175 24.6765 31.6177 3.4303 GPRESSAVG: 2261200 25.2163 8.06278 24.3325 7.71609 -2.35297 32.1056 24.8901 30.8334 3.63279 TIMING: 2261200 CPU: 6561.03, 0.00290796/step Wall: 6561.03, 0.00290796/step, 2.21231 hours remaining, 206.332031 MB of memory in use. ENERGY: 2261200 773.7631 2085.2591 1948.6209 125.6710 -205902.2208 17628.1554 0.0000 0.0000 34412.8911 -148927.8601 300.5363 -183340.7513 -148828.2820 300.1283 -35.1937 4.0627 557226.2274 8.6608 8.8320 PRESSURE: 2261400 -27.7693 -8.40297 109.924 -8.40138 -211.866 -59.371 109.925 -59.3692 -56.5025 GPRESSURE: 2261400 15.4197 49.9589 149.467 -116.184 -144.363 -34.5229 5.98595 -42.0042 -78.7357 PRESSAVG: 2261400 27.797 -28.9575 41.9122 -28.9575 -23.264 22.6478 41.9123 22.6477 4.51327 GPRESSAVG: 2261400 28.3939 -24.8711 43.6337 -31.6276 -23.7452 21.3809 42.4484 23.0139 4.46012 TIMING: 2261400 CPU: 6561.61, 0.00290946/step Wall: 6561.61, 0.00290946/step, 2.21329 hours remaining, 206.332031 MB of memory in use. ENERGY: 2261400 727.5694 2072.0905 1988.3338 116.7487 -205547.4162 17369.9269 0.0000 0.0000 34382.1958 -148890.5512 300.2683 -183272.7470 -148787.7604 300.2546 -98.7128 -69.2263 556032.3264 3.0154 3.0363 PRESSURE: 2261600 -19.7421 71.4729 38.3331 71.4732 -28.7819 -65.1878 38.3335 -65.1875 -160.15 GPRESSURE: 2261600 7.74802 -62.4373 29.345 92.9698 29.1677 17.6696 54.7403 -22.0863 -137.111 PRESSAVG: 2261600 -0.0782102 -25.4174 -27.4288 -25.4174 4.42684 -3.058 -27.4289 -3.058 21.3337 GPRESSAVG: 2261600 -0.346192 -26.4003 -29.0408 -23.3622 4.55281 -3.1759 -26.2298 -4.07933 21.5991 TIMING: 2261600 CPU: 6562.19, 0.00289136/step Wall: 6562.19, 0.00289136/step, 2.19936 hours remaining, 206.332031 MB of memory in use. ENERGY: 2261600 764.2522 2120.1080 1957.6237 99.6606 -206501.9805 17995.1199 0.0000 0.0000 34561.1231 -149004.0930 301.8309 -183565.2161 -148902.3021 300.4493 -69.5582 -33.3984 557468.7974 8.5608 8.6019 PRESSURE: 2261800 12.4777 -83.908 38.0325 -83.9085 -179.014 -2.07403 38.0328 -2.07464 -186.628 GPRESSURE: 2261800 28.416 -101.589 -81.9457 -91.8022 -182.098 -22.5751 86.7205 66.912 -115.038 PRESSAVG: 2261800 21.9922 -8.89701 21.4525 -8.89698 -19.5444 40.2993 21.4524 40.2993 -11.135 GPRESSAVG: 2261800 23.3388 -9.98394 22.5883 -9.82844 -19.9321 39.5318 19.1979 40.0974 -11.8068 TIMING: 2261800 CPU: 6562.76, 0.00289148/step Wall: 6562.76, 0.00289148/step, 2.19929 hours remaining, 206.332031 MB of memory in use. ENERGY: 2261800 720.5313 2051.5533 1971.5499 109.2605 -205559.5634 17389.9372 0.0000 0.0000 34261.4477 -149055.2836 299.2137 -183316.7313 -148959.9613 299.7920 -117.7215 -89.5735 557861.1811 -2.8957 -2.8000 PRESSURE: 2262000 21.6853 85.7968 -115.858 85.7964 40.4209 135.691 -115.859 135.69 5.41375 GPRESSURE: 2262000 50.3843 80.9906 -40.1246 100.029 55.4104 96.2159 -169.891 140.99 68.6693 PRESSAVG: 2262000 -21.3593 -45.1889 50.0736 -45.1889 -37.6108 14.5185 50.0736 14.5184 45.359 GPRESSAVG: 2262000 -22.4685 -44.5842 50.746 -43.8908 -37.5446 17.1806 51.5694 13.9965 46.6001 TIMING: 2262000 CPU: 6563.34, 0.00289888/step Wall: 6563.34, 0.00289888/step, 2.20476 hours remaining, 206.332031 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: 2262000 719.6544 2091.4906 1990.0469 109.7685 -206005.4435 17759.9613 0.0000 0.0000 34406.8203 -148927.7015 300.4833 -183334.5218 -148829.3115 299.2703 22.5067 58.1546 558201.1685 -4.5370 -4.4710 PRESSURE: 2262200 -102.218 -10.0506 16.0255 -10.0518 -166.879 34.8002 16.025 34.8013 -50.2462 GPRESSURE: 2262200 -26.3522 -75.6541 14.3542 -7.47963 -103.287 24.7411 -12.393 89.6954 -79.537 PRESSAVG: 2262200 4.63086 -20.8803 -23.549 -20.8803 -9.82267 47.5178 -23.549 47.5178 27.6599 GPRESSAVG: 2262200 5.42194 -22.0765 -24.2788 -21.9329 -10.0391 46.8199 -23.8542 47.5759 27.0478 TIMING: 2262200 CPU: 6563.92, 0.00289426/step Wall: 6563.92, 0.00289426/step, 2.20108 hours remaining, 206.531250 MB of memory in use. ENERGY: 2262200 779.2984 2094.4587 1971.0143 115.8727 -205927.1187 17659.7009 0.0000 0.0000 34364.4749 -148942.2988 300.1135 -183306.7737 -148841.9438 299.8215 -106.4476 -69.7255 558400.0759 7.4894 7.4769 PRESSURE: 2262400 -294.487 30.4888 114.387 30.4878 24.7771 62.8403 114.387 62.8391 -116.75 GPRESSURE: 2262400 -283.9 -6.33744 32.9518 108.969 96.52 10.0464 149.286 123.608 -102.973 PRESSAVG: 2262400 -69.6783 -38.154 -0.13416 -38.154 15.8628 -14.8354 -0.134138 -14.8355 -0.476827 GPRESSAVG: 2262400 -70.7679 -38.508 0.908774 -36.7848 16.5006 -14.2738 0.329865 -14.0165 0.559897 TIMING: 2262400 CPU: 6564.5, 0.00289383/step Wall: 6564.5, 0.00289383/step, 2.2006 hours remaining, 206.531250 MB of memory in use. ENERGY: 2262400 743.7916 2092.0845 1981.7029 107.5767 -205691.8220 17449.1755 0.0000 0.0000 34253.2738 -149064.2171 299.1424 -183317.4910 -148967.6509 300.1993 -128.8202 -96.7844 557407.1707 -18.0974 -17.9025 PRESSURE: 2262600 12.6085 -57.6605 -107.73 -57.6602 -205.207 -50.7775 -107.731 -50.7778 -296.205 GPRESSURE: 2262600 91.3572 -78.8929 -90.4242 -28.358 -196.582 -16.7746 -213.385 -68.9084 -273.641 PRESSAVG: 2262600 8.77619 54.2913 13.8874 54.2914 16.9992 -42.9983 13.8874 -42.9984 -20.9545 GPRESSAVG: 2262600 8.26704 53.0302 13.1041 53.0745 17.149 -43.7917 12.734 -42.4714 -19.9576 TIMING: 2262600 CPU: 6565.08, 0.00289929/step Wall: 6565.08, 0.00289929/step, 2.20459 hours remaining, 206.531250 MB of memory in use. ENERGY: 2262600 747.5039 2110.6523 1954.7546 110.9696 -205861.9552 17608.9116 0.0000 0.0000 34311.4009 -149017.7622 299.6500 -183329.1632 -148917.8042 300.0683 -162.9345 -126.2884 559845.1531 1.6070 1.8195 PRESSURE: 2262800 188.571 -81.0505 -114.475 -81.0506 -56.1836 -128.523 -114.474 -128.524 -69.8172 GPRESSURE: 2262800 201.417 -46.4586 -148.388 -64.8025 -28.4705 -68.7744 -116.52 -82.1437 -27.7077 PRESSAVG: 2262800 -46.7204 10.7733 -38.2798 10.7733 -11.9593 22.2945 -38.2798 22.2946 -2.60986 GPRESSAVG: 2262800 -46.3182 12.2856 -38.8786 9.57431 -12.369 22.7165 -37.2656 22.8743 -2.69218 TIMING: 2262800 CPU: 6565.66, 0.00290404/step Wall: 6565.66, 0.00290404/step, 2.20804 hours remaining, 206.531250 MB of memory in use. ENERGY: 2262800 740.9811 2147.9089 1990.7759 97.6448 -205836.7411 17848.6925 0.0000 0.0000 34083.7103 -148927.0277 297.6615 -183010.7380 -148832.8497 299.6643 20.8568 48.4129 558607.9858 -20.4299 -20.4598 PRESSURE: 2263000 -56.6451 -119.845 35.142 -119.844 -5.28003 -10.42 35.1433 -10.4212 -264.603 GPRESSURE: 2263000 -47.7477 -75.3359 34.9915 -45.0791 32.9434 -7.66157 38.0731 -53.423 -220.442 PRESSAVG: 2263000 27.7604 53.8193 -50.0192 53.8192 3.68539 21.0872 -50.0192 21.0872 -43.3167 GPRESSAVG: 2263000 29.6036 55.1476 -49.5997 53.509 3.02867 20.2131 -48.4531 18.9131 -44.8253 TIMING: 2263000 CPU: 6566.24, 0.00290548/step Wall: 6566.24, 0.00290548/step, 2.20898 hours remaining, 206.531250 MB of memory in use. ENERGY: 2263000 758.4544 2058.4667 1975.6123 121.1797 -205987.2776 17836.9895 0.0000 0.0000 34312.5546 -148924.0205 299.6601 -183236.5751 -148829.4104 299.5932 -108.8427 -78.4153 558896.1596 -3.9570 -4.0644 PRESSURE: 2263200 38.7704 -108.582 -30.3928 -108.581 -188.235 16.5433 -30.3916 16.5436 67.3299 GPRESSURE: 2263200 70.2665 3.8198 -66.6666 -127.306 -141.4 -16.6243 -0.759439 -54.3036 78.9637 PRESSAVG: 2263200 12.1242 -10.4235 -14.6787 -10.4236 45.1096 -1.29866 -14.6788 -1.29871 -37.4493 GPRESSAVG: 2263200 11.4646 -11.9276 -14.6211 -9.37548 45.7044 -0.334742 -17.1899 -0.946703 -37.2526 TIMING: 2263200 CPU: 6566.82, 0.00289797/step Wall: 6566.82, 0.00289797/step, 2.2031 hours remaining, 206.531250 MB of memory in use. ENERGY: 2263200 722.4751 2100.6378 1966.3318 105.6484 -205659.5493 17609.8058 0.0000 0.0000 34370.7235 -148783.9269 300.1681 -183154.6504 -148687.6730 299.8484 -27.3783 2.6102 559256.9095 6.5948 6.6388 PRESSURE: 2263400 22.8851 21.4812 -174.762 21.4814 -253.937 -100.904 -174.763 -100.905 361.434 GPRESSURE: 2263400 49.0242 33.507 -261.884 -93.5376 -168.977 -74.9065 -36.538 -123.642 355.502 PRESSAVG: 2263400 -62.5115 -8.53864 3.38807 -8.53867 -47.7938 -35.3049 3.38818 -35.3048 83.861 GPRESSAVG: 2263400 -62.8518 -7.54382 4.46482 -10.228 -47.5645 -33.7171 3.59692 -35.3712 83.8155 TIMING: 2263400 CPU: 6567.41, 0.00292061/step Wall: 6567.41, 0.00292061/step, 2.22015 hours remaining, 206.531250 MB of memory in use. ENERGY: 2263400 720.9352 2082.0026 2006.2121 120.7951 -206063.2727 17819.5278 0.0000 0.0000 34365.6221 -148948.1777 300.1235 -183313.7999 -148852.2098 300.0886 43.4607 78.5164 558034.7710 -8.8148 -8.8670 PRESSURE: 2263600 -63.7263 -104.304 -134.209 -104.305 -57.8249 -38.0058 -134.209 -38.005 -179.996 GPRESSURE: 2263600 -77.0215 -20.4409 -190.082 -138.453 -33.0611 2.8441 -143.631 -53.9093 -86.675 PRESSAVG: 2263600 -73.4976 -3.75808 -22.3914 -3.75806 -19.9729 -34.3295 -22.3914 -34.3295 105.554 GPRESSAVG: 2263600 -74.8918 -4.73374 -23.9992 -2.52198 -19.4165 -34.8574 -20.4383 -33.8802 106.484 TIMING: 2263600 CPU: 6567.99, 0.00290953/step Wall: 6567.99, 0.00290953/step, 2.21156 hours remaining, 206.531250 MB of memory in use. ENERGY: 2263600 759.6817 2130.3327 1954.6001 110.7321 -206248.0137 17774.7502 0.0000 0.0000 34481.8895 -149036.0273 301.1389 -183517.9168 -148939.1548 299.9453 -100.5157 -65.5859 558187.4911 4.0279 4.0584 PRESSURE: 2263800 63.5915 -106.92 73.5227 -106.92 -28.2265 -7.53345 73.5232 -7.53214 -55.7288 GPRESSURE: 2263800 135.662 -72.8191 -4.40305 -157.489 0.370048 69.0891 145.813 -39.2181 -48.2761 PRESSAVG: 2263800 2.05853 -24.9145 -52.6861 -24.9145 -20.5853 -15.2121 -52.6861 -15.2121 20.0906 GPRESSAVG: 2263800 3.84658 -25.9752 -52.7225 -23.4041 -21.1379 -17.7908 -53.3305 -14.8245 19.3914 TIMING: 2263800 CPU: 6568.57, 0.00291179/step Wall: 6568.57, 0.00291179/step, 2.21313 hours remaining, 206.531250 MB of memory in use. ENERGY: 2263800 754.7879 2050.9647 1966.6449 111.8978 -205982.6086 17771.6596 0.0000 0.0000 34239.5123 -149087.1414 299.0222 -183326.6536 -148990.0730 299.3016 -6.7879 29.2521 557784.7350 0.5213 0.7000 PRESSURE: 2264000 76.3614 42.4924 151.546 42.4933 -79.4737 136.389 151.546 136.387 -117.118 GPRESSURE: 2264000 100.706 131.543 155.891 76.05 -10.0023 169.002 215.866 132.753 -123.6 PRESSAVG: 2264000 21.8353 -7.8733 -22.5141 -7.87315 -21.5316 -19.2889 -22.5142 -19.2888 -7.4968 GPRESSAVG: 2264000 22.4943 -5.34415 -23.3091 -8.44006 -22.5464 -18.1931 -22.2394 -19.0669 -6.92042 TIMING: 2264000 CPU: 6569.15, 0.00291869/step Wall: 6569.15, 0.00291869/step, 2.21821 hours remaining, 206.531250 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: 2264000 738.0305 2091.1671 1975.1659 119.5408 -206197.7321 17726.4605 0.0000 0.0000 34375.1832 -149172.1842 300.2070 -183547.3673 -149083.0762 299.5926 -40.0769 -10.9655 557848.1916 -2.3977 -2.3242 PRESSURE: 2264200 -70.9275 -87.628 -77.4346 -87.6288 103.642 57.4171 -77.4346 57.4181 -109.905 GPRESSURE: 2264200 -50.6309 -20.0266 -36.6532 -48.8132 109.029 -6.82978 -137.798 55.5335 -41.5898 PRESSAVG: 2264200 -21.8601 6.59888 1.89248 6.59889 -34.8952 -8.6858 1.89248 -8.68583 19.9737 GPRESSAVG: 2264200 -22.9968 5.36096 3.10481 6.54322 -34.0391 -8.4367 -2.12097 -10.0234 19.8087 TIMING: 2264200 CPU: 6569.74, 0.00292131/step Wall: 6569.74, 0.00292131/step, 2.22003 hours remaining, 206.531250 MB of memory in use. ENERGY: 2264200 741.9377 2078.1315 1967.0672 108.0559 -206190.9317 17821.1867 0.0000 0.0000 34263.3088 -149211.2440 299.2300 -183474.5528 -149114.2751 298.5247 -25.7302 5.6028 558259.4130 -12.2605 -12.4091 LDB: ============= START OF LOAD BALANCING ============== 6573.2 LDB: ============== END OF LOAD BALANCING =============== 6573.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.21 LDB: ============= START OF LOAD BALANCING ============== 6573.5 LDB: Largest compute 4820 load 0.028917 is 24.6% of average load 0.117691 LDB: Average compute 0.001734 is 1.5% of average load 0.117691 LDB: TIME 6573.5 LOAD: AVG 0.117691 MAX 0.177296 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 6573.5 LOAD: AVG 0.117691 MAX 0.177296 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 6573.5 LOAD: AVG 0.117691 MAX 0.177296 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 6573.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6573.51 PRESSURE: 2264400 176.058 -27.4803 -46.9068 -27.4797 -379.914 -1.17612 -46.9072 -1.17443 -35.1965 GPRESSURE: 2264400 202.213 8.25577 -129.026 -13.1061 -339.953 99.4659 -7.52791 -76.1581 -3.13723 PRESSAVG: 2264400 49.3121 -23.8582 -52.0768 -23.8582 -18.7432 49.6658 -52.0769 49.6657 9.58001 GPRESSAVG: 2264400 50.8612 -23.6454 -55.7522 -23.4882 -19.5566 51.0296 -49.8749 49.5214 8.59723 TIMING: 2264400 CPU: 6570.33, 0.0029596/step Wall: 6570.33, 0.0029596/step, 2.24896 hours remaining, 205.105469 MB of memory in use. ENERGY: 2264400 731.4573 2085.6770 1978.6246 117.9646 -206277.3901 17766.8908 0.0000 0.0000 34363.7652 -149233.0106 300.1073 -183596.7758 -149139.1602 299.5048 -79.6842 -46.9590 558187.6276 13.3830 13.3006 PRESSURE: 2264600 239.233 30.3488 -29.4478 30.3497 95.348 -59.5176 -29.4475 -59.5182 240.007 GPRESSURE: 2264600 271.431 0.203309 24.092 90.401 83.2023 -78.6408 -9.48737 -22.1831 317.688 PRESSAVG: 2264600 64.5076 -8.02756 6.34156 -8.02756 -58.9619 31.4699 6.34149 31.4699 12.5347 GPRESSAVG: 2264600 63.4576 -6.6688 10.2474 -8.73391 -58.4058 31.9927 6.31582 31.3276 13.0053 TIMING: 2264600 CPU: 6570.91, 0.00290204/step Wall: 6570.91, 0.00290204/step, 2.20506 hours remaining, 205.308594 MB of memory in use. ENERGY: 2264600 748.8212 2138.5096 1967.6821 114.7022 -206578.7236 18200.3180 0.0000 0.0000 34265.4024 -149143.2881 299.2483 -183408.6905 -149045.9974 299.2213 191.5294 224.1069 557500.8610 6.0268 6.0191 PRESSURE: 2264800 87.3117 -47.4913 -163.253 -47.4899 -254.46 26.2252 -163.253 26.2272 -99.7236 GPRESSURE: 2264800 77.4934 -19.4872 -129.997 -58.1335 -230.805 -50.0526 -60.8836 7.14162 -19.5553 PRESSAVG: 2264800 30.2144 -30.4605 13.1457 -30.4604 -106.378 -23.0782 13.1456 -23.0783 75.2632 GPRESSAVG: 2264800 30.2315 -32.2464 11.6639 -29.0269 -107.069 -24.8075 13.7503 -21.2826 76.2109 TIMING: 2264800 CPU: 6571.49, 0.00288584/step Wall: 6571.49, 0.00288584/step, 2.1926 hours remaining, 205.308594 MB of memory in use. ENERGY: 2264800 741.6099 2129.4755 1966.5058 134.0977 -205636.8299 17555.9620 0.0000 0.0000 33963.7235 -149145.4556 296.6136 -183109.1792 -149049.3061 299.4835 -88.9573 -57.6221 558886.4151 -0.3002 -0.2090 PRESSURE: 2265000 45.1384 -27.0219 -135.824 -27.0231 -187.873 -209.445 -135.825 -209.444 83.425 GPRESSURE: 2265000 98.1989 -134.408 39.601 3.07871 -207.474 -216.922 -221.701 -212.69 147.348 PRESSAVG: 2265000 69.3128 42.4669 -6.70674 42.4668 -43.2991 0.996368 -6.70681 0.996385 -62.2921 GPRESSAVG: 2265000 68.7598 41.724 -6.07407 41.7943 -42.4534 1.9682 -8.82626 -0.888811 -62.4647 TIMING: 2265000 CPU: 6572.07, 0.00289064/step Wall: 6572.07, 0.00289064/step, 2.19608 hours remaining, 205.308594 MB of memory in use. ENERGY: 2265000 725.6600 2110.8905 1991.7816 112.4873 -205972.0834 17646.5127 0.0000 0.0000 34195.0161 -149189.7353 298.6336 -183384.7514 -149092.0094 299.5704 -19.7698 12.6910 557738.5000 -12.0928 -12.0528 PRESSURE: 2265200 -45.73 35.5253 78.6601 35.5249 47.7151 -20.654 78.66 -20.6541 -37.1244 GPRESSURE: 2265200 19.3972 -34.7216 103.957 41.7257 82.8248 -35.3219 90.0704 -47.3952 -38.6174 PRESSAVG: 2265200 -36.302 -3.58081 -7.60518 -3.58081 -1.73567 -61.5841 -7.60517 -61.5839 34.4595 GPRESSAVG: 2265200 -36.2202 -1.85993 -7.63362 -2.98969 -2.54951 -61.4158 -5.30884 -61.9038 34.8979 TIMING: 2265200 CPU: 6572.64, 0.00289265/step Wall: 6572.64, 0.00289265/step, 2.19745 hours remaining, 205.308594 MB of memory in use. ENERGY: 2265200 726.6366 2078.8869 1983.3489 117.7748 -205458.7929 17540.2341 0.0000 0.0000 33808.9645 -149202.9472 295.2621 -183011.9117 -149111.9564 299.5745 -11.7131 21.2016 557997.7810 -1.1927 -1.2906 PRESSURE: 2265400 -46.7313 16.1708 -194.356 16.1697 -136.32 46.8007 -194.356 46.8017 70.5131 GPRESSURE: 2265400 -35.6897 84.7657 -158.036 -5.16027 -45.9738 13.103 -120.336 162.563 58.5972 PRESSAVG: 2265400 -43.2092 32.6145 -24.376 32.6144 55.0178 -53.5537 -24.3761 -53.5537 -7.35086 GPRESSAVG: 2265400 -43.3302 33.2872 -23.86 31.6335 53.9584 -55.1943 -24.3191 -52.6038 -5.93417 TIMING: 2265400 CPU: 6573.23, 0.00292483/step Wall: 6573.23, 0.00292483/step, 2.22174 hours remaining, 205.308594 MB of memory in use. ENERGY: 2265400 714.9047 2092.2004 1966.5595 123.6869 -205811.3430 17728.0054 0.0000 0.0000 33981.5328 -149204.4533 296.7692 -183185.9861 -149116.4007 298.0965 -37.5127 -7.6888 557909.8263 1.4859 1.5647 PRESSURE: 2265600 -35.6987 34.9905 -18.0601 34.9908 147.415 -60.2496 -18.0599 -60.2486 234.64 GPRESSURE: 2265600 30.834 132.426 30.2872 -26.3965 166.442 -34.4932 -106.84 -74.4945 247.45 PRESSAVG: 2265600 28.4716 6.73611 -6.02169 6.73605 -56.3147 -50.6692 -6.02154 -50.6691 28.7755 GPRESSAVG: 2265600 28.5818 5.49061 -4.62375 5.46897 -55.0124 -49.9419 -8.2812 -50.7343 27.6073 TIMING: 2265600 CPU: 6573.82, 0.00292679/step Wall: 6573.82, 0.00292679/step, 2.22306 hours remaining, 205.308594 MB of memory in use. ENERGY: 2265600 765.9749 2069.4744 1953.6870 119.6380 -206352.9645 17962.9155 0.0000 0.0000 34389.3920 -149091.8828 300.3311 -183481.2748 -149003.3008 299.2995 115.4522 148.2418 556343.5005 0.3108 0.3922 PRESSURE: 2265800 -137.949 36.2916 -49.468 36.2924 -143.725 -4.47697 -49.4675 -4.47828 -35.2816 GPRESSURE: 2265800 -104.602 71.743 -56.6189 63.4383 -96.7754 -50.6514 -115.737 2.19508 -15.728 PRESSAVG: 2265800 -11.9009 21.3229 -13.4758 21.3229 46.0806 -38.1417 -13.4758 -38.1416 -7.85169 GPRESSAVG: 2265800 -12.5185 20.3147 -15.1239 22.1579 45.6959 -36.942 -13.1178 -39.7488 -7.18556 TIMING: 2265800 CPU: 6574.4, 0.00290523/step Wall: 6574.4, 0.00290523/step, 2.20652 hours remaining, 205.308594 MB of memory in use. ENERGY: 2265800 738.6785 2086.5707 1965.5536 125.3589 -205752.4624 17406.5874 0.0000 0.0000 34271.1479 -149158.5656 299.2985 -183429.7134 -149067.4972 299.3729 -105.6520 -72.3685 557098.7653 8.7760 8.6640 PRESSURE: 2266000 32.603 12.1461 -207.536 12.1459 -119.097 164.122 -207.537 164.122 126.59 GPRESSURE: 2266000 54.1659 -127.094 -116.378 70.3048 -37.9548 188.165 -271.385 108.482 122.853 PRESSAVG: 2266000 -0.131393 19.0985 20.2223 19.0985 -25.9638 -21.8635 20.2222 -21.8634 17.0029 GPRESSAVG: 2266000 0.76734 20.2404 18.975 18.6665 -26.0995 -23.936 20.863 -18.9547 16.3414 TIMING: 2266000 CPU: 6574.98, 0.00292951/step Wall: 6574.98, 0.00292951/step, 2.2248 hours remaining, 205.308594 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: 2266000 743.9452 2059.8594 1965.6736 110.2881 -205811.2057 17691.1393 0.0000 0.0000 34141.6125 -149098.6876 298.1672 -183240.3002 -148995.0515 298.1239 13.3655 46.3548 557376.3258 -3.0308 -2.9969 PRESSURE: 2266200 -113.015 -96.5903 50.8085 -96.59 177.297 -114.605 50.8086 -114.605 -138.377 GPRESSURE: 2266200 -50.5328 -27.0432 -11.5869 -69.434 113.333 -117.529 23.5785 -105.995 -52.5598 PRESSAVG: 2266200 4.39727 -35.6671 2.54344 -35.6671 -3.94943 -35.3284 2.54352 -35.3284 23.8218 GPRESSAVG: 2266200 3.37102 -36.5599 1.50596 -37.325 -3.30143 -32.6511 5.19731 -37.5733 24.0314 TIMING: 2266200 CPU: 6575.56, 0.00289533/step Wall: 6575.56, 0.00289533/step, 2.19868 hours remaining, 205.308594 MB of memory in use. ENERGY: 2266200 731.8936 2121.2918 1971.5390 127.7320 -205924.4009 17756.6302 0.0000 0.0000 34021.0603 -149194.2540 297.1144 -183215.3143 -149095.3915 299.0267 -24.6984 3.4135 557316.0009 8.0899 8.0337 PRESSURE: 2266400 48.0549 65.4474 9.56994 65.447 -103.659 52.9308 9.56974 52.9326 196.282 GPRESSURE: 2266400 60.3057 119.786 23.397 120.66 -28.2761 48.1024 -63.1673 -19.5415 207.45 PRESSAVG: 2266400 61.2661 0.423736 32.5163 0.423814 2.33348 2.5505 32.5163 2.55062 -27.6425 GPRESSAVG: 2266400 62.0897 0.801011 35.2766 1.03425 2.57025 -0.107493 29.361 2.76826 -28.7065 TIMING: 2266400 CPU: 6576.14, 0.00288422/step Wall: 6576.14, 0.00288422/step, 2.19008 hours remaining, 205.308594 MB of memory in use. ENERGY: 2266400 748.4447 2114.5267 1948.7260 90.5712 -206263.0344 17823.4397 0.0000 0.0000 34382.3347 -149154.9914 300.2695 -183537.3261 -149057.0173 298.7796 46.8926 79.8264 556951.3994 11.9857 11.9845 PRESSURE: 2266600 -124.293 -32.8354 44.0258 -32.8343 13.3524 -67.9959 44.0258 -67.9955 102.15 GPRESSURE: 2266600 -89.0103 -64.503 25.5519 17.2444 55.2003 3.15971 89.6225 -160.994 122.118 PRESSAVG: 2266600 -38.1139 5.96101 5.07244 5.96095 44.0919 -41.5498 5.0724 -41.5497 21.8247 GPRESSAVG: 2266600 -38.2292 2.97173 5.95781 7.63164 43.564 -39.8021 3.93066 -40.0851 22.5339 TIMING: 2266600 CPU: 6576.72, 0.00290794/step Wall: 6576.72, 0.00290794/step, 2.20794 hours remaining, 205.308594 MB of memory in use. ENERGY: 2266600 740.3061 2056.0133 1984.8787 96.2542 -206377.5112 17836.1343 0.0000 0.0000 34502.6202 -149161.3043 301.3200 -183663.9245 -149063.9182 299.7692 -2.9305 29.4359 556499.6144 9.2676 9.2896 PRESSURE: 2266800 -215.997 -6.93218 43.6345 -6.9335 -145.502 46.3907 43.6342 46.3906 -85.3371 GPRESSURE: 2266800 -188.487 -27.7747 40.7034 14.1431 -125.56 56.762 -18.3232 76.2957 -29.3395 PRESSAVG: 2266800 7.17713 25.2989 -12.7354 25.2988 -12.0799 -35.2811 -12.7353 -35.2812 -14.2937 GPRESSAVG: 2266800 7.14802 28.6908 -14.3431 23.2766 -13.1692 -36.1251 -11.6344 -34.1211 -13.6147 TIMING: 2266800 CPU: 6577.3, 0.00290515/step Wall: 6577.3, 0.00290515/step, 2.20565 hours remaining, 205.308594 MB of memory in use. ENERGY: 2266800 717.6359 2056.5510 1978.6287 101.5438 -205996.3224 17430.6204 0.0000 0.0000 34386.9608 -149324.3819 300.3099 -183711.3427 -149227.1875 299.7051 -148.9452 -114.4619 558318.5489 -6.3988 -6.5453 PRESSURE: 2267000 -42.5735 69.474 86.2524 69.4741 -142.127 53.1527 86.2516 53.153 -167.387 GPRESSURE: 2267000 3.08081 20.3186 129.462 -9.26894 -110.554 49.7247 61.0587 3.83157 -149.754 PRESSAVG: 2267000 55.585 18.3227 24.7877 18.3226 -32.9472 -0.607221 24.7877 -0.607348 -38.3039 GPRESSAVG: 2267000 55.3675 18.4479 24.6154 18.1578 -31.5405 -0.0379451 25.6219 -2.31659 -39.0882 TIMING: 2267000 CPU: 6577.88, 0.00290185/step Wall: 6577.88, 0.00290185/step, 2.20299 hours remaining, 205.308594 MB of memory in use. ENERGY: 2267000 749.2820 2002.5944 1976.3859 110.7835 -205859.0181 17544.9391 0.0000 0.0000 34288.4938 -149186.5394 299.4499 -183475.0332 -149090.5193 299.0335 -117.3625 -85.7423 557814.3975 -5.2220 -5.0870 PRESSURE: 2267200 -115.964 39.3186 -74.1151 39.3185 -39.4444 84.0181 -74.1156 84.02 3.89245 GPRESSURE: 2267200 -84.7237 93.5704 -51.4038 -69.3197 -4.42346 113.505 -114.227 63.9394 31.3447 PRESSAVG: 2267200 34.5637 -49.4477 58.8882 -49.4477 -26.476 12.9119 58.8882 12.912 5.99262 GPRESSAVG: 2267200 34.1979 -53.6281 58.1955 -46.5223 -26.9026 11.6875 59.6938 13.2548 6.72073 TIMING: 2267200 CPU: 6578.46, 0.00290731/step Wall: 6578.46, 0.00290731/step, 2.20697 hours remaining, 205.308594 MB of memory in use. ENERGY: 2267200 683.4669 2072.0208 1997.2796 126.3670 -205809.6880 17593.5229 0.0000 0.0000 34328.6829 -149008.3479 299.8009 -183337.0308 -148918.6691 299.5883 -50.5053 -19.2675 556385.6094 4.6934 4.6720 PRESSURE: 2267400 -69.8449 137.665 96.0792 137.665 49.3855 58.8039 96.0779 58.8035 -150.508 GPRESSURE: 2267400 -55.8643 150.807 34.755 120.726 54.7849 97.9084 71.93 -11.6213 -76.5184 PRESSAVG: 2267400 0.321494 -33.9756 0.67583 -33.9757 -75.3666 -10.6111 0.675811 -10.611 68.549 GPRESSAVG: 2267400 -0.0394164 -31.5091 -0.196671 -33.7669 -75.1681 -11.557 1.36102 -10.2914 68.8932 TIMING: 2267400 CPU: 6579.04, 0.00290598/step Wall: 6579.04, 0.00290598/step, 2.2058 hours remaining, 205.511719 MB of memory in use. ENERGY: 2267400 731.1389 2029.9815 1972.7289 108.6853 -206115.7831 17703.3130 0.0000 0.0000 34372.8013 -149197.1342 300.1862 -183569.9356 -149099.8201 300.0699 -56.9890 -25.8659 557462.3752 -2.1654 -2.1048 PRESSURE: 2267600 -234.324 -36.4243 51.3615 -36.425 18.8283 -165.993 51.3605 -165.992 169.624 GPRESSURE: 2267600 -195.046 -11.8721 46.8588 -20.177 3.09145 -117.454 18.7836 -178.499 232.528 PRESSAVG: 2267600 72.5991 -27.3929 7.58669 -27.3928 -21.3733 -18.6812 7.58675 -18.6812 -16.3859 GPRESSAVG: 2267600 73.0532 -25.8272 8.17968 -29.0396 -22.5824 -17.6949 7.0208 -18.1725 -16.3617 TIMING: 2267600 CPU: 6579.62, 0.00289566/step Wall: 6579.62, 0.00289566/step, 2.1978 hours remaining, 205.511719 MB of memory in use. ENERGY: 2267600 701.5382 2098.8772 1957.7044 104.8531 -206133.4355 17727.9148 0.0000 0.0000 34299.8120 -149242.7359 299.5488 -183542.5479 -149147.9684 299.9943 -15.2907 13.5247 558540.1773 11.6133 11.3697 PRESSURE: 2267800 -77.7612 39.7588 -10.9481 39.757 -35.7463 -14.1934 -10.9462 -14.1924 -92.6706 GPRESSURE: 2267800 -88.7677 45.172 -70.9082 72.5845 -2.90633 57.2675 7.22568 -93.6472 -1.77789 PRESSAVG: 2267800 54.9863 -56.2889 -9.41873 -56.2887 -60.6522 24.0237 -9.41875 24.0236 -10.5804 GPRESSAVG: 2267800 54.9624 -57.5914 -11.2755 -54.5993 -59.0578 25.1448 -9.56704 24.6568 -11.8398 TIMING: 2267800 CPU: 6580.2, 0.00288137/step Wall: 6580.2, 0.00288137/step, 2.1868 hours remaining, 205.511719 MB of memory in use. ENERGY: 2267800 707.6232 2066.1627 1975.4917 113.6812 -206112.6764 17711.1350 0.0000 0.0000 34185.3777 -149353.2050 298.5494 -183538.5826 -149254.4676 298.9691 -68.7260 -31.1506 558476.3867 -5.4154 -5.3117 PRESSURE: 2268000 -86.8139 44.1133 0.0802297 44.1135 25.014 83.4538 0.0803632 83.4531 -97.9745 GPRESSURE: 2268000 -65.2859 6.40265 -25.3845 25.4453 37.5453 98.7313 33.2224 49.0718 -35.4705 PRESSAVG: 2268000 16.4927 30.2351 -24.2169 30.2351 23.784 -1.47799 -24.217 -1.47798 -54.5787 GPRESSAVG: 2268000 16.808 29.3194 -22.0089 29.7476 23.3198 0.0630786 -26.1166 -4.617 -54.1735 TIMING: 2268000 CPU: 6580.78, 0.00289937/step Wall: 6580.78, 0.00289937/step, 2.2003 hours remaining, 205.511719 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: 2268000 736.9023 2057.5118 1994.7937 107.3419 -206386.3972 17848.2438 0.0000 0.0000 34136.6587 -149504.9450 298.1239 -183641.6038 -149410.0858 299.0227 -53.2581 -21.0704 558488.1041 -4.7673 -4.6819 PRESSURE: 2268200 243.171 23.9295 -27.8077 23.9303 296.745 -158.77 -27.8073 -158.772 70.8754 GPRESSURE: 2268200 369.131 -71.3147 -9.06371 -31.3795 272.914 -112.815 -130.622 -173.028 74.7686 PRESSAVG: 2268200 40.0756 8.06051 63.251 8.06068 -32.5159 -0.356898 63.251 -0.356836 -3.31076 GPRESSAVG: 2268200 41.3981 8.83535 62.7506 8.13939 -32.7589 -2.3418 65.3328 0.142022 -4.04878 TIMING: 2268200 CPU: 6581.36, 0.00290089/step Wall: 6581.36, 0.00290089/step, 2.20129 hours remaining, 205.511719 MB of memory in use. ENERGY: 2268200 741.3703 2044.9225 1968.3030 113.5638 -206438.3464 18061.4512 0.0000 0.0000 34237.9107 -149270.8249 299.0082 -183508.7356 -149180.7216 299.3783 203.5971 238.9378 554825.3977 1.4163 1.5301 LDB: ============= START OF LOAD BALANCING ============== 6584.83 LDB: ============== END OF LOAD BALANCING =============== 6584.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6584.83 LDB: ============= START OF LOAD BALANCING ============== 6585.12 LDB: Largest compute 4821 load 0.028091 is 23.9% of average load 0.117646 LDB: Average compute 0.001734 is 1.5% of average load 0.117646 LDB: TIME 6585.12 LOAD: AVG 0.117646 MAX 0.181876 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.359 MB LDB: TIME 6585.12 LOAD: AVG 0.117646 MAX 0.181876 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 6585.12 LOAD: AVG 0.117646 MAX 0.181876 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6585.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6585.13 PRESSURE: 2268400 -7.85016 -14.4265 13.681 -14.4265 -190.784 -136.304 13.6806 -136.305 -241.828 GPRESSURE: 2268400 49.3378 13.2577 9.01128 4.91642 -163.03 -165.486 -6.47325 -100.323 -235.495 PRESSAVG: 2268400 53.5046 1.91663 24.027 1.91662 -4.3723 -48.467 24.027 -48.467 -69.4306 GPRESSAVG: 2268400 53.1246 1.99747 24.9909 2.27545 -3.41666 -49.8201 23.6339 -46.3312 -69.8022 TIMING: 2268400 CPU: 6581.95, 0.0029725/step Wall: 6581.95, 0.0029725/step, 2.25547 hours remaining, 205.695312 MB of memory in use. ENERGY: 2268400 771.8554 2090.4590 1976.8113 112.8086 -206114.8791 17634.3614 0.0000 0.0000 34260.4310 -149268.1524 299.2049 -183528.5834 -149175.2808 298.6590 -146.8207 -116.3958 556104.0136 -6.7661 -6.6981 PRESSURE: 2268600 174.244 -59.7075 88.9334 -59.7082 153.38 -30.1943 88.9317 -30.1944 60.3276 GPRESSURE: 2268600 195.732 -106.124 88.3968 -21.1561 159.97 -41.2166 58.6638 -52.849 136.469 PRESSAVG: 2268600 40.0506 27.506 58.5495 27.5059 18.4451 -61.9004 58.5496 -61.9005 7.48575 GPRESSAVG: 2268600 40.047 25.4318 58.3641 26.5863 17.0845 -60.7912 58.5397 -63.2403 8.52525 TIMING: 2268600 CPU: 6582.54, 0.00292714/step Wall: 6582.54, 0.00292714/step, 2.22089 hours remaining, 205.953125 MB of memory in use. ENERGY: 2268600 714.4573 2106.7385 1959.6304 112.7303 -206222.2638 17849.9877 0.0000 0.0000 34147.9560 -149330.7636 298.2226 -183478.7196 -149230.0949 299.1553 129.3174 164.0570 555244.0006 21.9938 21.8856 PRESSURE: 2268800 -305.67 54.5842 -117.035 54.5846 -226.528 -110.524 -117.035 -110.522 -180.644 GPRESSURE: 2268800 -271.175 44.353 -125.71 88.2329 -217.101 -125.283 -90.0379 -102.579 -110.271 PRESSAVG: 2268800 7.58971 -49.4334 -26.031 -49.4334 -50.3386 -41.823 -26.031 -41.8228 64.7889 GPRESSAVG: 2268800 6.74451 -46.6584 -23.6406 -49.9533 -49.925 -43.9885 -28.8532 -40.7525 65.6129 TIMING: 2268800 CPU: 6583.12, 0.00291479/step Wall: 6583.12, 0.00291479/step, 2.21135 hours remaining, 205.953125 MB of memory in use. ENERGY: 2268800 792.5032 2055.2841 1957.6283 109.8871 -205773.7668 17501.2838 0.0000 0.0000 34054.0596 -149303.1206 297.4026 -183357.1802 -149210.1920 298.6316 -237.6141 -199.5156 556906.7797 7.3467 7.4775 PRESSURE: 2269000 -35.4681 -44.1239 50.4303 -44.124 -80.8642 158.218 50.4303 158.216 -59.5812 GPRESSURE: 2269000 51.1172 -22.0833 39.7974 -74.2922 -82.5669 174.279 106.239 268.634 -51.8311 PRESSAVG: 2269000 39.7658 17.6773 -7.64402 17.6773 -59.8982 -20.9033 -7.64397 -20.9033 30.7093 GPRESSAVG: 2269000 39.6899 14.4131 -8.29155 18.2086 -58.3974 -20.0672 -6.1973 -20.9904 29.868 TIMING: 2269000 CPU: 6583.71, 0.00291678/step Wall: 6583.71, 0.00291678/step, 2.2127 hours remaining, 205.953125 MB of memory in use. ENERGY: 2269000 732.6978 2083.3257 1963.6106 118.0324 -206129.4258 17587.2295 0.0000 0.0000 34277.9646 -149366.5651 299.3580 -183644.5297 -149275.1316 298.6709 -58.6379 -27.7603 555515.4502 3.5257 3.7202 PRESSURE: 2269200 246.457 -133.276 -45.8661 -133.275 249.666 14.936 -45.8676 14.9356 -101.058 GPRESSURE: 2269200 232.282 -88.5395 73.8914 -155.605 315.77 1.77045 -173.005 31.4701 -55.605 PRESSAVG: 2269200 -29.1649 -33.9946 69.1501 -33.9945 -49.7571 12.1357 69.1501 12.1357 73.2931 GPRESSAVG: 2269200 -28.1629 -32.3784 68.4265 -34.0339 -49.8044 12.7328 69.3615 11.0462 72.364 TIMING: 2269200 CPU: 6584.29, 0.00289973/step Wall: 6584.29, 0.00289973/step, 2.1996 hours remaining, 205.953125 MB of memory in use. ENERGY: 2269200 709.0817 2058.0408 1968.3240 123.5873 -206666.5793 18107.6201 0.0000 0.0000 34454.5452 -149245.3802 300.9001 -183699.9254 -149154.9076 298.5814 131.6885 164.1491 556881.3655 -1.8763 -1.8678 PRESSURE: 2269400 -38.7072 1.32374 34.6093 1.32466 88.4665 2.811 34.6097 2.8111 134.253 GPRESSURE: 2269400 82.4125 -11.8031 31.3013 31.6968 98.4848 -107.439 63.5587 -53.8278 104.038 PRESSAVG: 2269400 -37.0007 15.5163 -1.69791 15.5164 17.3926 -18.0228 -1.69783 -18.0228 41.0759 GPRESSAVG: 2269400 -36.656 16.9733 -1.8551 13.7583 17.3043 -17.5681 -1.94243 -17.0901 40.8385 TIMING: 2269400 CPU: 6584.87, 0.00290234/step Wall: 6584.87, 0.00290234/step, 2.20143 hours remaining, 205.953125 MB of memory in use. ENERGY: 2269400 709.6486 2038.6330 1968.2963 111.3229 -206375.1938 17994.8088 0.0000 0.0000 34343.7626 -149208.7216 299.9326 -183552.4842 -149113.8908 299.5430 61.3374 94.9784 557269.0739 7.1559 7.1623 PRESSURE: 2269600 -273.918 159.005 174.077 159.006 -65.2394 -90.2293 174.077 -90.2286 -114.045 GPRESSURE: 2269600 -191.931 224.628 201.863 110.417 -69.5199 -127.488 216.2 -18.0917 -100.073 PRESSAVG: 2269600 -25.6571 42.901 98.1225 42.9011 31.2699 -15.2306 98.1224 -15.2306 -2.01121 GPRESSAVG: 2269600 -26.3482 42.0621 99.2473 44.6837 31.5245 -16.7325 97.7233 -14.0793 -1.56423 TIMING: 2269600 CPU: 6585.45, 0.00290575/step Wall: 6585.45, 0.00290575/step, 2.20385 hours remaining, 206.011719 MB of memory in use. ENERGY: 2269600 734.5230 2116.4605 1986.0036 119.1338 -205980.6465 17526.0217 0.0000 0.0000 34359.4131 -149139.0907 300.0693 -183498.5039 -149044.2236 299.9920 -151.0674 -120.5081 557897.0803 1.2005 1.2040 PRESSURE: 2269800 -101.121 147.625 -128.174 147.625 220.7 73.5728 -128.174 73.5714 -199.736 GPRESSURE: 2269800 -63.9396 179.906 -151.169 201.392 209.78 4.14228 -171.518 94.9962 -134.41 PRESSAVG: 2269800 -36.9158 61.4575 35.317 61.4575 21.2205 33.2078 35.3171 33.2078 -8.00771 GPRESSAVG: 2269800 -36.7825 59.4125 35.292 61.8785 20.1728 36.1088 34.3301 30.6638 -7.70519 TIMING: 2269800 CPU: 6586.03, 0.00289097/step Wall: 6586.03, 0.00289097/step, 2.19248 hours remaining, 206.011719 MB of memory in use. ENERGY: 2269800 756.8177 2015.5916 1994.5130 102.3192 -205652.4466 17677.9577 0.0000 0.0000 34088.4905 -149016.7569 297.7033 -183105.2475 -148924.8899 299.3485 -26.7191 3.8100 558627.2714 -7.9010 -8.1050 PRESSURE: 2270000 -57.5497 -32.2479 -61.1445 -32.2469 -51.9192 56.707 -61.1451 56.7046 83.917 GPRESSURE: 2270000 2.43468 -62.7931 -35.8253 13.3491 -55.905 27.1144 -42.2324 92.1912 127.692 PRESSAVG: 2270000 -10.1938 74.265 -57.4499 74.265 -18.617 46.1798 -57.4498 46.1797 30.5718 GPRESSAVG: 2270000 -9.54637 74.0712 -56.6944 75.5624 -18.2289 45.6374 -55.6767 46.1507 29.4489 TIMING: 2270000 CPU: 6586.61, 0.00292478/step Wall: 6586.61, 0.00292478/step, 2.21796 hours remaining, 206.011719 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: 2270000 749.8520 2042.1800 1981.5637 118.5644 -206431.1511 17876.4799 0.0000 0.0000 34333.4558 -149329.0554 299.8426 -183662.5112 -149229.8278 299.8204 -8.5173 24.7406 557297.8129 0.5870 0.5578 PRESSURE: 2270200 -24.6517 37.1685 -25.3573 37.1682 56.5615 135.644 -25.3571 135.645 92.7097 GPRESSURE: 2270200 1.60983 -11.0288 -46.4539 -3.48762 86.394 174.669 45.8578 95.3291 127.779 PRESSAVG: 2270200 -60.8322 32.5559 67.0912 32.5559 50.7912 -10.2731 67.0911 -10.2732 -5.66449 GPRESSAVG: 2270200 -60.6936 36.2978 66.8514 29.8384 48.8963 -9.67859 64.72 -10.9244 -4.01009 TIMING: 2270200 CPU: 6587.19, 0.00292316/step Wall: 6587.19, 0.00292316/step, 2.21656 hours remaining, 206.011719 MB of memory in use. ENERGY: 2270200 723.7289 2097.8175 1970.5709 118.0657 -206213.6360 17932.9350 0.0000 0.0000 34005.3281 -149365.1897 296.9770 -183370.5179 -149275.1445 298.4667 41.5398 71.9277 558455.5667 -5.2352 -5.2691 PRESSURE: 2270400 -375.008 121.566 49.7131 121.565 -0.607771 3.30804 49.7128 3.30689 -146.429 GPRESSURE: 2270400 -347.712 108.182 149.308 41.0943 13.9271 44.4251 -1.01601 15.6167 -97.7137 PRESSAVG: 2270400 -9.28398 -27.7416 10.9258 -27.7416 17.0673 11.0665 10.9258 11.0665 14.1446 GPRESSAVG: 2270400 -9.88869 -30.064 10.943 -25.5751 17.8822 10.8107 11.4752 12.4414 13.3788 TIMING: 2270400 CPU: 6587.78, 0.00290915/step Wall: 6587.78, 0.00290915/step, 2.20578 hours remaining, 206.011719 MB of memory in use. ENERGY: 2270400 718.8109 2094.2295 1976.8440 113.4145 -205940.2660 17520.3920 0.0000 0.0000 34282.6059 -149233.9689 299.3985 -183516.5749 -149136.7053 299.1918 -174.0149 -143.8328 558504.4605 7.3093 7.1241 PRESSURE: 2270600 -68.5541 27.6946 -122.217 27.6941 105.896 105.624 -122.218 105.624 -61.4979 GPRESSURE: 2270600 -48.8337 70.85 -158.467 42.8499 130.106 76.2709 -50.881 111.997 12.3901 PRESSAVG: 2270600 -39.4353 5.63752 8.69627 5.63757 29.9789 -3.75351 8.69628 -3.75354 12.1992 GPRESSAVG: 2270600 -41.3305 5.75287 7.21516 5.12909 31.2358 -4.0164 9.18538 -2.2132 13.5493 TIMING: 2270600 CPU: 6588.36, 0.00289939/step Wall: 6588.36, 0.00289939/step, 2.19822 hours remaining, 206.011719 MB of memory in use. ENERGY: 2270600 736.1794 2044.2700 1985.5030 103.8044 -206217.8197 17738.7474 0.0000 0.0000 34260.8261 -149348.4893 299.2083 -183609.3153 -149252.7226 298.9979 -8.0522 31.2207 557134.2598 0.9143 1.1515 PRESSURE: 2270800 -372.666 12.4066 -30.7569 12.406 204.351 -3.26936 -30.7572 -3.26929 -37.2428 GPRESSURE: 2270800 -326.028 162.233 -4.84915 -42.224 219.264 45.6661 18.1734 -22.4074 0.431071 PRESSAVG: 2270800 -66.4135 6.57507 -71.9994 6.57507 -48.0264 51.0413 -71.9994 51.0414 51.4545 GPRESSAVG: 2270800 -65.9069 8.09304 -73.037 5.68439 -47.1363 49.9092 -71.6332 50.1547 49.5862 TIMING: 2270800 CPU: 6588.94, 0.00291841/step Wall: 6588.94, 0.00291841/step, 2.21248 hours remaining, 206.011719 MB of memory in use. ENERGY: 2270800 720.0893 2044.4936 1982.6941 114.3432 -205923.1152 17703.2234 0.0000 0.0000 34079.2296 -149279.0420 297.6224 -183358.2717 -149183.7382 298.6524 -68.5194 -35.4444 556464.2064 -20.9951 -21.1523 PRESSURE: 2271000 39.4299 -117.064 -89.534 -117.064 195.44 -137.484 -89.5349 -137.482 155.038 GPRESSURE: 2271000 75.4111 -41.4962 -137.667 -155.097 206.023 -55.7807 38.2617 -149.824 212.983 PRESSAVG: 2271000 -65.383 -51.8971 -24.6502 -51.8971 -23.8337 -24.0522 -24.6502 -24.0522 134.443 GPRESSAVG: 2271000 -64.6455 -54.2029 -21.4225 -50.6061 -25.4537 -23.1797 -25.234 -25.966 135.212 TIMING: 2271000 CPU: 6589.53, 0.00293353/step Wall: 6589.53, 0.00293353/step, 2.22378 hours remaining, 206.011719 MB of memory in use. ENERGY: 2271000 773.4262 2072.2896 1979.0610 106.9585 -206314.5436 18076.6735 0.0000 0.0000 33962.5665 -149343.5683 296.6035 -183306.1348 -149243.9873 298.8094 129.9691 164.8057 556312.4031 15.0753 15.0377 PRESSURE: 2271200 59.8408 7.2447 -263.443 7.24606 80.5483 139.052 -263.444 139.052 1.66349 GPRESSURE: 2271200 37.3873 17.4605 -309.166 49.8092 101.76 201.374 -246.532 177.738 109.583 PRESSAVG: 2271200 -65.8087 8.02258 -57.0235 8.02255 41.5653 -11.9648 -57.0235 -11.9648 33.3549 GPRESSAVG: 2271200 -65.7336 9.71205 -58.7085 7.66041 41.9864 -11.4851 -56.8753 -11.3263 33.6056 TIMING: 2271200 CPU: 6590.11, 0.00290817/step Wall: 6590.11, 0.00290817/step, 2.20439 hours remaining, 206.011719 MB of memory in use. ENERGY: 2271200 753.0855 2146.1138 1944.6264 102.3235 -206345.6346 17951.8073 0.0000 0.0000 34155.4931 -149292.1850 298.2884 -183447.6782 -149203.0064 298.6640 47.3508 82.9100 557281.9057 3.0372 3.2862 PRESSURE: 2271400 -67.1492 10.4748 -95.3926 10.4743 -130.587 -105.998 -95.3921 -105.997 81.7691 GPRESSURE: 2271400 -25.4227 -79.8576 -92.0988 87.5765 -119.221 -69.9259 -45.0177 -138.609 120.847 PRESSAVG: 2271400 -29.9535 -74.7911 25.8121 -74.791 -20.3249 30.1081 25.8121 30.1079 45.5037 GPRESSAVG: 2271400 -30.5501 -76.7675 25.8218 -75.9215 -19.5828 30.5163 27.6451 30.082 45.8765 TIMING: 2271400 CPU: 6590.69, 0.00289491/step Wall: 6590.69, 0.00289491/step, 2.19418 hours remaining, 206.011719 MB of memory in use. ENERGY: 2271400 755.6130 2028.5953 1957.2007 108.0985 -206060.5299 17597.0315 0.0000 0.0000 34356.8933 -149257.0977 300.0473 -183613.9910 -149159.4475 298.6719 -38.6557 -7.9322 555539.6347 -1.5916 -1.4188 PRESSURE: 2271600 -36.3823 81.9804 -43.048 81.9801 -215.501 -89.3465 -43.0469 -89.3464 -18.5398 GPRESSURE: 2271600 39.6427 -55.2056 33.5572 181.511 -191.498 -41.721 -122.515 -68.551 -19.7812 PRESSAVG: 2271600 -9.4767 24.8786 -49.7189 24.8785 -9.63802 42.6719 -49.7189 42.6719 45.2545 GPRESSAVG: 2271600 -8.62431 24.2897 -51.186 26.3944 -9.18799 43.0379 -49.4721 42.2547 44.3038 TIMING: 2271600 CPU: 6591.27, 0.00290628/step Wall: 6591.27, 0.00290628/step, 2.20264 hours remaining, 206.011719 MB of memory in use. ENERGY: 2271600 711.5073 2095.7896 1981.1031 111.6057 -206080.1011 17517.3596 0.0000 0.0000 34174.8420 -149487.8938 298.4574 -183662.7358 -149394.6574 298.9448 -90.1412 -57.2123 555314.8073 8.7133 8.8305 PRESSURE: 2271800 31.4502 25.7989 -69.0688 25.798 15.1787 0.395526 -69.0676 0.396937 -34.3308 GPRESSURE: 2271800 5.76279 38.7617 -66.9647 -18.8245 49.299 88.2343 -45.3097 -49.9426 43.5267 PRESSAVG: 2271800 8.05202 3.29826 -46.7177 3.29831 9.56149 21.3093 -46.7178 21.3093 28.4193 GPRESSAVG: 2271800 6.54741 2.3049 -45.0092 3.17476 9.98259 21.7831 -47.4023 21.5853 28.794 TIMING: 2271800 CPU: 6591.85, 0.00291867/step Wall: 6591.85, 0.00291867/step, 2.21187 hours remaining, 206.011719 MB of memory in use. ENERGY: 2271800 728.6040 2039.3568 1965.2550 95.2109 -206051.1747 17689.2315 0.0000 0.0000 34084.0157 -149449.5009 297.6642 -183533.5166 -149345.5885 299.1296 4.0994 32.8628 555854.8133 15.3443 15.1080 PRESSURE: 2272000 49.0268 23.1352 100.03 23.1368 -35.8035 -128.497 100.029 -128.496 -188.544 GPRESSURE: 2272000 66.1918 46.4774 35.4177 4.01045 43.6529 -156.061 123.811 -78.2237 -191.339 PRESSAVG: 2272000 48.6031 8.81787 -32.1872 8.81782 -6.95035 -32.8922 -32.1872 -32.8921 -44.6652 GPRESSAVG: 2272000 49.7509 10.2471 -32.7661 8.7919 -7.087 -35.648 -32.3312 -31.3599 -45.404 TIMING: 2272000 CPU: 6592.44, 0.00292514/step Wall: 6592.44, 0.00292514/step, 2.21661 hours remaining, 206.011719 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: 2272000 760.5008 1993.9189 1938.7103 107.3555 -206142.6272 17702.6717 0.0000 0.0000 33969.0668 -149670.4033 296.6603 -183639.4701 -149576.7627 297.7603 -58.4404 -27.1649 556783.8936 -1.0042 -0.9134 PRESSURE: 2272200 -277.515 91.6712 -26.6968 91.672 90.2853 130.482 -26.6977 130.483 -69.544 GPRESSURE: 2272200 -258.153 60.0376 -14.8235 10.538 107.481 202.091 -37.1622 131.526 -19.0769 PRESSAVG: 2272200 6.81296 -8.24104 -16.8449 -8.24095 5.10812 -9.2182 -16.8449 -9.21824 -13.5966 GPRESSAVG: 2272200 4.92409 -7.55375 -16.6631 -9.06658 6.56385 -7.45572 -16.9882 -10.6054 -12.9304 TIMING: 2272200 CPU: 6593.02, 0.00292809/step Wall: 6593.02, 0.00292809/step, 2.21868 hours remaining, 206.023438 MB of memory in use. ENERGY: 2272200 725.8716 2048.7581 1933.4729 111.8142 -206064.0011 17644.4128 0.0000 0.0000 33875.6825 -149723.9890 295.8448 -183599.6715 -149624.8839 297.5237 -85.5912 -56.5828 558677.1414 -0.5585 -0.4808 LDB: ============= START OF LOAD BALANCING ============== 6596.49 LDB: ============== END OF LOAD BALANCING =============== 6596.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6596.49 LDB: ============= START OF LOAD BALANCING ============== 6596.78 LDB: Largest compute 4820 load 0.029141 is 24.8% of average load 0.117733 LDB: Average compute 0.001726 is 1.5% of average load 0.117733 LDB: TIME 6596.78 LOAD: AVG 0.117733 MAX 0.179053 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.309 MB LDB: TIME 6596.78 LOAD: AVG 0.117733 MAX 0.179053 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.312 MB LDB: TIME 6596.78 LOAD: AVG 0.117733 MAX 0.179053 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.312 MB LDB: ============== END OF LOAD BALANCING =============== 6596.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6596.79 PRESSURE: 2272400 75.2539 -64.1579 -124.206 -64.1591 -71.758 153.209 -124.206 153.208 225.06 GPRESSURE: 2272400 112.144 -54.2893 -46.809 -91.114 -62.6826 105.32 -188.599 219.669 278.835 PRESSAVG: 2272400 -21.6969 42.5636 31.974 42.5635 -37.6755 20.4903 31.974 20.4903 74.3639 GPRESSAVG: 2272400 -21.6627 41.7976 31.042 42.5818 -38.0524 20.5353 33.684 19.8949 74.4811 TIMING: 2272400 CPU: 6593.61, 0.00295456/step Wall: 6593.61, 0.00295456/step, 2.23857 hours remaining, 207.414062 MB of memory in use. ENERGY: 2272400 713.2911 2042.7711 1955.9904 98.4128 -206786.4090 18118.4330 0.0000 0.0000 34207.6827 -149649.8279 298.7442 -183857.5106 -149554.1680 297.8640 76.1852 109.4322 556800.2261 4.9972 4.9220 PRESSURE: 2272600 236.984 18.1618 136.719 18.1623 111.845 85.1544 136.72 85.1545 150.272 GPRESSURE: 2272600 236.443 31.8825 100.67 37.892 132.478 108.685 138.232 89.8265 221.164 PRESSAVG: 2272600 4.2933 18.6968 67.6029 18.6968 14.0747 34.937 67.6029 34.937 10.3404 GPRESSAVG: 2272600 5.90702 17.8213 68.1355 20.8393 13.5117 33.6616 67.3242 37.0187 9.42976 TIMING: 2272600 CPU: 6594.19, 0.00288023/step Wall: 6594.19, 0.00288023/step, 2.18209 hours remaining, 207.617188 MB of memory in use. ENERGY: 2272600 740.5878 2089.1386 1965.9118 104.6239 -206542.5108 18191.6804 0.0000 0.0000 34042.7859 -149407.7824 297.3041 -183450.5683 -149321.1807 298.1247 166.3669 196.6949 557370.7534 9.5695 9.6161 PRESSURE: 2272800 -111.179 84.8729 170.632 84.8731 28.9723 -65.6155 170.631 -65.6179 -16.1124 GPRESSURE: 2272800 -145.481 74.902 176.825 73.3958 67.488 -181.454 91.1812 -122.732 81.4352 PRESSAVG: 2272800 18.8696 11.2998 63.4919 11.2999 22.4016 -42.948 63.492 -42.9481 -12.6754 GPRESSAVG: 2272800 18.2863 12.6296 64.7839 10.038 21.3979 -40.9663 61.5744 -46.3988 -11.376 TIMING: 2272800 CPU: 6594.77, 0.00290488/step Wall: 6594.77, 0.00290488/step, 2.20061 hours remaining, 207.687500 MB of memory in use. ENERGY: 2272800 730.7744 2067.9462 1936.2552 114.2806 -206107.8922 17735.1970 0.0000 0.0000 34286.2324 -149237.2065 299.4302 -183523.4389 -149137.1353 298.9329 -32.7731 1.1475 556109.6821 9.5319 9.4361 PRESSURE: 2273000 -155.015 -108.049 -225.185 -108.049 -94.8536 -17.5799 -225.186 -17.5792 104.093 GPRESSURE: 2273000 -164.147 -69.7372 -210.86 -174.503 1.13609 -37.4822 -272.993 -38.0257 131.615 PRESSAVG: 2273000 52.05 1.85738 3.67627 1.85732 -22.6844 -35.6943 3.67635 -35.6942 -13.0864 GPRESSAVG: 2273000 52.85 4.20991 3.84719 1.08324 -23.2923 -36.5317 2.7282 -33.4147 -13.5511 TIMING: 2273000 CPU: 6595.35, 0.0028949/step Wall: 6595.35, 0.0028949/step, 2.19289 hours remaining, 207.687500 MB of memory in use. ENERGY: 2273000 763.3352 2100.8080 1953.3419 117.5214 -206034.0814 17642.6021 0.0000 0.0000 34357.4125 -149099.0604 300.0518 -183456.4729 -149006.1196 298.8434 -48.5918 -10.4650 557055.4946 5.4264 5.3355 PRESSURE: 2273200 -195.755 49.1478 76.6454 49.1482 -231.906 106.118 76.6458 106.117 163.98 GPRESSURE: 2273200 -104.15 51.3555 94.9171 34.8913 -148.668 100.866 47.443 60.9202 88.0529 PRESSAVG: 2273200 36.5261 -12.8215 23.761 -12.8216 10.1577 -11.3841 23.761 -11.384 20.2228 GPRESSAVG: 2273200 36.4291 -15.052 23.4077 -11.9841 11.5498 -11.1399 26.6081 -13.7565 18.9494 TIMING: 2273200 CPU: 6595.93, 0.00289946/step Wall: 6595.93, 0.00289946/step, 2.19618 hours remaining, 207.687500 MB of memory in use. ENERGY: 2273200 713.6385 2037.9522 1970.1105 104.0028 -205960.0275 17790.8821 0.0000 0.0000 34273.7446 -149069.6968 299.3211 -183343.4413 -148969.7553 299.9393 -87.8936 -54.9218 559322.8628 22.3022 22.3094 PRESSURE: 2273400 142.095 -40.6139 -84.7633 -40.6146 -18.0391 38.12 -84.7625 38.1189 10.3591 GPRESSURE: 2273400 184.073 -7.90872 -191.217 32.4502 -3.25507 40.3471 4.34884 16.0164 58.9976 PRESSAVG: 2273400 6.44783 15.9814 -19.6508 15.9814 -1.98387 2.63542 -19.6509 2.63545 -13.5714 GPRESSAVG: 2273400 7.6761 15.3078 -20.9804 17.164 -3.31527 1.60009 -19.7577 6.35321 -12.9338 TIMING: 2273400 CPU: 6596.52, 0.00293696/step Wall: 6596.52, 0.00293696/step, 2.22442 hours remaining, 207.687500 MB of memory in use. ENERGY: 2273400 730.6054 2030.4697 1968.6673 122.0242 -206119.6352 17728.0085 0.0000 0.0000 34427.4567 -149112.4034 300.6635 -183539.8601 -149015.2709 300.3354 44.8050 79.9385 557409.7556 -3.0358 -2.8577 PRESSURE: 2273600 -105.057 -96.6809 85.2817 -96.6807 -80.6116 113.135 85.2815 113.135 134.138 GPRESSURE: 2273600 -28.8813 -26.2792 170.571 -26.1108 -43.9721 90.0332 121.111 124.493 114.946 PRESSAVG: 2273600 -20.0278 -36.188 -37.8484 -36.1881 -81.7107 9.8295 -37.8483 9.82944 63.8898 GPRESSAVG: 2273600 -20.0377 -34.5958 -37.1735 -38.3049 -80.8187 10.8564 -38.7575 7.91744 63.2823 TIMING: 2273600 CPU: 6597.1, 0.00291075/step Wall: 6597.1, 0.00291075/step, 2.20441 hours remaining, 207.687500 MB of memory in use. ENERGY: 2273600 707.1105 2099.5013 1967.1145 117.5424 -206148.8830 17767.0428 0.0000 0.0000 34160.0995 -149330.4718 298.3286 -183490.5714 -149237.2934 299.5130 -17.1771 14.0309 557665.8873 -12.6162 -12.5247 PRESSURE: 2273800 160.125 -125.997 -52.6745 -125.997 -88.0474 -137.148 -52.6748 -137.148 192.929 GPRESSURE: 2273800 192.72 -78.673 -122.215 -222.238 -29.8526 -66.5405 13.8452 -94.3015 185.583 PRESSAVG: 2273800 -36.6776 -1.9608 1.28814 -1.96084 -13.0015 10.4131 1.28808 10.4131 107.25 GPRESSAVG: 2273800 -36.876 -3.60949 0.556057 -0.734179 -12.891 11.5014 -0.374737 10.6282 107.399 TIMING: 2273800 CPU: 6597.68, 0.00288462/step Wall: 6597.68, 0.00288462/step, 2.18446 hours remaining, 207.687500 MB of memory in use. ENERGY: 2273800 743.6768 2129.2780 1952.2206 117.7641 -206667.3529 18024.6924 0.0000 0.0000 34316.9135 -149382.8074 299.6981 -183699.7209 -149289.9759 298.9746 88.3355 116.1502 556262.4713 19.1902 19.2106 PRESSURE: 2274000 -153.147 -166.554 21.5629 -166.555 -77.4263 17.5566 21.5621 17.5582 -47.7307 GPRESSURE: 2274000 -127.541 -161.735 -1.02518 -289.517 -27.4248 49.2672 0.760654 15.6433 -25.0778 PRESSAVG: 2274000 -15.9996 -29.936 -25.1276 -29.936 -44.8798 -13.4959 -25.1276 -13.496 33.9623 GPRESSAVG: 2274000 -16.0845 -30.1992 -26.3603 -31.9242 -45.0541 -15.668 -22.7185 -12.3788 34.7318 TIMING: 2274000 CPU: 6598.26, 0.00289336/step Wall: 6598.26, 0.00289336/step, 2.19091 hours remaining, 207.687500 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: 2274000 745.3861 2104.7476 1962.7977 131.4166 -205964.7354 17583.3234 0.0000 0.0000 34098.0499 -149339.0140 297.7868 -183437.0639 -149245.6847 298.5620 -92.7680 -60.0145 555806.0919 -8.9724 -8.8023 PRESSURE: 2274200 -20.9265 -81.7427 43.0264 -81.7429 -261.527 -196.646 43.0286 -196.645 -429.97 GPRESSURE: 2274200 -54.2171 -75.1781 15.8217 38.8505 -217.169 -174.462 123.242 -281.141 -345.027 PRESSAVG: 2274200 -16.1057 -21.5456 39.056 -21.5457 18.4538 28.7966 39.0561 28.7967 35.9148 GPRESSAVG: 2274200 -16.9302 -20.7489 38.1395 -19.7586 18.9587 29.545 36.7922 27.2419 36.1236 TIMING: 2274200 CPU: 6598.83, 0.00288041/step Wall: 6598.83, 0.00288041/step, 2.18095 hours remaining, 207.687500 MB of memory in use. ENERGY: 2274200 818.9465 2068.9154 1943.0715 114.8165 -206047.4491 17519.1739 0.0000 0.0000 34084.7998 -149497.7256 297.6710 -183582.5254 -149404.8461 298.4973 -237.4743 -205.4708 556503.3303 12.7543 12.7174 PRESSURE: 2274400 52.5917 11.7803 80.4974 11.78 -11.6431 -89.5947 80.4972 -89.5972 109.38 GPRESSURE: 2274400 13.7764 89.4672 53.834 48.9208 40.4151 -130.285 113.425 -138.685 193.122 PRESSAVG: 2274400 3.72068 -23.3 -17.2722 -23.3001 -65.0376 20.2657 -17.2722 20.2659 44.7209 GPRESSAVG: 2274400 4.12455 -25.1749 -15.2137 -20.5668 -66.8959 20.7752 -16.1434 19.9073 45.3799 TIMING: 2274400 CPU: 6599.41, 0.00289316/step Wall: 6599.41, 0.00289316/step, 2.19045 hours remaining, 207.687500 MB of memory in use. ENERGY: 2274400 742.4925 2061.6887 1963.0767 105.9134 -205919.7652 17776.4934 0.0000 0.0000 33956.4614 -149313.6391 296.5502 -183270.1005 -149215.1604 298.1865 50.1097 82.4379 556048.3027 -5.5320 -5.7971 PRESSURE: 2274600 51.393 -5.04012 92.4361 -5.0404 9.59023 122.727 92.4361 122.727 31.6398 GPRESSURE: 2274600 68.0839 -47.4622 128.166 23.7874 75.6897 152.773 109.019 156.406 47.742 PRESSAVG: 2274600 7.04224 32.4505 62.4469 32.4506 -14.4486 61.0108 62.4468 61.0108 -6.78593 GPRESSAVG: 2274600 8.62936 35.0815 63.1418 29.4643 -13.1759 60.3991 62.5993 63.7051 -8.8062 TIMING: 2274600 CPU: 6599.99, 0.00291677/step Wall: 6599.99, 0.00291677/step, 2.20816 hours remaining, 207.687500 MB of memory in use. ENERGY: 2274600 733.4179 2116.2457 1958.4428 117.8344 -206387.2190 17942.0262 0.0000 0.0000 34222.4755 -149296.7766 298.8734 -183519.2521 -149196.4448 298.3351 30.8744 63.8386 556739.2425 -4.7308 -4.4509 PRESSURE: 2274800 -30.4501 -43.9789 16.6813 -43.9803 -169.587 13.757 16.6823 13.7571 -19.1947 GPRESSURE: 2274800 -61.6375 -24.9983 34.5353 -26.1211 -103.125 43.0628 55.0868 19.8937 42.192 PRESSAVG: 2274800 8.38994 40.8687 49.4686 40.8687 -17.2758 16.9924 49.4687 16.9924 44.5977 GPRESSAVG: 2274800 8.50792 40.9055 49.4714 40.9068 -17.4608 18.1982 48.9931 15.6671 44.9488 TIMING: 2274800 CPU: 6600.57, 0.00289669/step Wall: 6600.57, 0.00289669/step, 2.1928 hours remaining, 207.687500 MB of memory in use. ENERGY: 2274800 770.2369 2095.5052 1955.2289 111.2447 -205985.8178 17780.6809 0.0000 0.0000 34003.1207 -149269.8004 296.9577 -183272.9211 -149167.6280 298.6381 -73.0772 -40.8568 559079.6166 11.9039 11.9986 PRESSURE: 2275000 -108.552 159.953 -87.6553 159.951 -96.7142 99.3418 -87.6572 99.342 64.6288 GPRESSURE: 2275000 -65.6837 157.056 -125.577 278.464 -102.071 5.06337 -52.8967 73.2751 102.457 PRESSAVG: 2275000 -26.0399 -13.7684 -11.4716 -13.7685 -57.8226 -21.8365 -11.4715 -21.8365 63.2387 GPRESSAVG: 2275000 -27.8013 -15.4772 -13.6385 -11.1865 -56.1197 -23.8394 -10.0725 -21.4212 62.7068 TIMING: 2275000 CPU: 6601.15, 0.0028913/step Wall: 6601.15, 0.0028913/step, 2.18855 hours remaining, 207.687500 MB of memory in use. ENERGY: 2275000 747.5444 2129.2205 1927.8500 101.7203 -206125.8665 17872.1822 0.0000 0.0000 34194.5358 -149152.8134 298.6294 -183347.3492 -149050.1758 298.5179 -46.8791 -21.7659 558714.0633 -6.8746 -7.0714 PRESSURE: 2275200 97.3094 124.433 78.2944 124.433 -123.358 -27.8288 78.2944 -27.8285 -29.367 GPRESSURE: 2275200 140.853 196.428 128.987 163.875 -115.63 -23.3988 87.5696 -11.389 30.6602 PRESSAVG: 2275200 16.7688 44.2484 -24.7464 44.2483 -45.5043 -3.71075 -24.7465 -3.71078 58.4868 GPRESSAVG: 2275200 16.9769 45.4783 -23.3071 43.7481 -46.2778 -3.84849 -26.1772 -3.18825 59.073 TIMING: 2275200 CPU: 6601.73, 0.00290646/step Wall: 6601.73, 0.00290646/step, 2.19987 hours remaining, 207.687500 MB of memory in use. ENERGY: 2275200 707.1502 2141.7594 1961.9772 120.1804 -206123.6440 17784.2977 0.0000 0.0000 34237.3585 -149170.9206 299.0034 -183408.2791 -149082.8465 299.4060 -18.4718 18.6277 559976.6594 9.9171 9.9240 PRESSURE: 2275400 -230.763 -28.6947 -132.274 -28.6954 116.291 12.7417 -132.274 12.7427 185.329 GPRESSURE: 2275400 -228.731 68.4687 -152.088 -21.255 162.461 32.6413 -92.2567 45.7414 237.889 PRESSAVG: 2275400 -94.0191 -26.2526 2.51808 -26.2526 27.0649 -3.65921 2.51823 -3.65917 41.7857 GPRESSAVG: 2275400 -93.8179 -25.7124 3.42283 -26.9958 25.7245 -2.1008 4.63529 -4.5698 43.3678 TIMING: 2275400 CPU: 6602.31, 0.00291184/step Wall: 6602.31, 0.00291184/step, 2.20378 hours remaining, 207.687500 MB of memory in use. ENERGY: 2275400 742.5084 2106.6080 1992.6286 113.6944 -206210.9713 17895.3340 0.0000 0.0000 34169.7353 -149190.4626 298.4128 -183360.1979 -149095.0535 298.7616 23.6192 57.2063 558303.3158 -8.3895 -8.2419 PRESSURE: 2275600 -290.727 140.335 53.5702 140.335 -252.731 -29.8756 53.5712 -29.875 -156.414 GPRESSURE: 2275600 -266.084 59.965 -13.1905 185.459 -225.117 15.404 24.2526 -39.5739 -112.236 PRESSAVG: 2275600 -46.2934 -30.3691 -2.21643 -30.369 46.9935 -6.14978 -2.21646 -6.14977 -0.518946 GPRESSAVG: 2275600 -45.847 -33.4679 -3.86456 -28.5387 48.1731 -8.41492 -2.54285 -5.80786 -2.23487 TIMING: 2275600 CPU: 6602.89, 0.00289176/step Wall: 6602.89, 0.00289176/step, 2.18842 hours remaining, 207.687500 MB of memory in use. ENERGY: 2275600 718.8250 2055.2427 1952.0390 122.8806 -206345.0297 17777.9093 0.0000 0.0000 34396.2271 -149321.9061 300.3908 -183718.1331 -149228.3533 299.0451 -233.2908 -201.1458 559418.1639 0.0604 0.0304 PRESSURE: 2275800 81.6434 1.08269 95.2105 1.08185 -147.819 20.3291 95.2103 20.3319 6.33659 GPRESSURE: 2275800 181.548 -73.6489 172.776 14.8839 -124.699 0.18313 157.997 85.4086 -45.5279 PRESSAVG: 2275800 -18.6973 -34.9865 1.04042 -34.9864 -4.10508 -22.1239 1.04041 -22.1239 36.6879 GPRESSAVG: 2275800 -19.3982 -34.4936 3.47265 -35.6295 -4.6124 -21.1771 -0.834649 -22.1322 37.6237 TIMING: 2275800 CPU: 6603.47, 0.00287762/step Wall: 6603.47, 0.00287762/step, 2.17756 hours remaining, 207.687500 MB of memory in use. ENERGY: 2275800 721.9054 2082.2441 1967.2657 113.8466 -205924.4390 17577.8630 0.0000 0.0000 34080.6864 -149380.6278 297.6351 -183461.3143 -149284.2272 298.8727 -19.9465 3.7736 559369.7715 4.6285 4.5377 PRESSURE: 2276000 -160.173 -29.4215 -28.2805 -29.4222 14.3745 -1.85718 -28.2808 -1.85797 -173.502 GPRESSURE: 2276000 -141.608 -76.1645 32.8358 -81.6947 60.0151 -114.489 -22.1312 68.9603 -141.582 PRESSAVG: 2276000 10.0484 2.28245 2.78559 2.28242 12.414 -5.4792 2.78554 -5.47919 -54.7776 GPRESSAVG: 2276000 10.4486 3.28992 0.974816 0.295077 12.3253 -4.79477 4.7127 -7.59079 -55.2701 TIMING: 2276000 CPU: 6604.05, 0.00289169/step Wall: 6604.05, 0.00289169/step, 2.18804 hours remaining, 207.687500 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: 2276000 718.4403 2060.6632 1972.5618 107.8727 -206270.1055 17812.5906 0.0000 0.0000 34191.4225 -149406.5543 298.6022 -183597.9768 -149309.6236 298.5387 -106.4334 -74.3918 559165.6855 -10.7717 -10.8320 PRESSURE: 2276200 -195.668 19.4631 -12.9837 19.4627 233.536 86.9661 -12.984 86.9667 238.709 GPRESSURE: 2276200 -144.73 22.9028 -114.053 86.3792 280.768 114.003 7.82354 90.1372 217.133 PRESSAVG: 2276200 -28.1603 29.9805 -18.156 29.9805 -59.6383 -23.7121 -18.156 -23.7121 58.8235 GPRESSAVG: 2276200 -28.9283 29.1376 -18.3019 30.4059 -59.5272 -24.8161 -20.4665 -19.6292 59.0086 TIMING: 2276200 CPU: 6604.63, 0.00289464/step Wall: 6604.63, 0.00289464/step, 2.19012 hours remaining, 207.687500 MB of memory in use. ENERGY: 2276200 732.6393 2080.2446 1976.0161 116.4260 -206511.5840 17845.3343 0.0000 0.0000 34262.9370 -149497.9867 299.2268 -183760.9237 -149401.7826 298.6761 92.1922 117.7238 555629.0759 -9.6584 -9.8156 LDB: ============= START OF LOAD BALANCING ============== 6608.09 LDB: ============== END OF LOAD BALANCING =============== 6608.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6608.1 LDB: ============= START OF LOAD BALANCING ============== 6608.39 LDB: Largest compute 4821 load 0.029779 is 25.3% of average load 0.117758 LDB: Average compute 0.001740 is 1.5% of average load 0.117758 LDB: TIME 6608.39 LOAD: AVG 0.117758 MAX 0.179933 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.809 MB LDB: TIME 6608.39 LOAD: AVG 0.117758 MAX 0.179933 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.051 MB LDB: TIME 6608.39 LOAD: AVG 0.117758 MAX 0.179933 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.051 MB LDB: ============== END OF LOAD BALANCING =============== 6608.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6608.4 PRESSURE: 2276400 24.943 -7.87821 184.905 -7.87778 135.409 144.468 184.904 144.467 -188.432 GPRESSURE: 2276400 77.7946 -42.0112 170.514 88.2985 164.735 188.395 186.194 -6.94461 -177.073 PRESSAVG: 2276400 -6.48909 -23.5901 45.8609 -23.5901 23.5682 -16.974 45.8609 -16.974 18.6065 GPRESSAVG: 2276400 -5.09109 -21.6112 46.5099 -23.9434 22.5613 -13.8294 44.8653 -20.0642 18.4453 TIMING: 2276400 CPU: 6605.22, 0.0029837/step Wall: 6605.22, 0.0029837/step, 2.25733 hours remaining, 205.105469 MB of memory in use. ENERGY: 2276400 732.0358 2068.1228 1963.0404 117.3594 -206217.3145 17777.5023 0.0000 0.0000 34194.9247 -149364.3291 298.6328 -183559.2537 -149272.7885 298.5910 -9.3601 21.8189 556547.9582 11.8952 11.9718 PRESSURE: 2276600 -177.731 167.301 37.3248 167.301 -417.667 -74.4293 37.3254 -74.4278 -282.351 GPRESSURE: 2276600 -158.106 133.855 -11.3113 158.639 -343.636 -71.7168 29.667 -52.9302 -275.557 PRESSAVG: 2276600 -15.6665 103.834 -2.16305 103.834 -48.6241 12.486 -2.163 12.486 60.9534 GPRESSAVG: 2276600 -16.6424 103.458 -2.3561 103.337 -47.5902 13.5583 2.05141 11.1822 60.8294 TIMING: 2276600 CPU: 6605.8, 0.00288945/step Wall: 6605.8, 0.00288945/step, 2.18587 hours remaining, 205.472656 MB of memory in use. ENERGY: 2276600 760.5817 2106.3294 1953.7698 105.5682 -205913.1997 17397.9614 0.0000 0.0000 34089.8937 -149499.0953 297.7155 -183588.9890 -149411.4103 298.8365 -292.5828 -259.0993 558164.4128 -1.1124 -1.1344 PRESSURE: 2276800 -17.8476 85.4657 52.915 85.4664 -325.925 1.88813 52.9152 1.88672 -171.175 GPRESSURE: 2276800 12.9403 82.2657 72.6861 81.869 -240.193 -54.6357 -73.1913 46.3359 -192.602 PRESSAVG: 2276800 -9.72785 23.2535 50.7159 23.2534 -79.5096 -54.2904 50.7159 -54.2904 99.7472 GPRESSAVG: 2276800 -10.2664 21.6894 49.847 25.6637 -79.5313 -57.6252 47.9179 -52.7365 99.8479 TIMING: 2276800 CPU: 6606.38, 0.00289462/step Wall: 6606.38, 0.00289462/step, 2.18962 hours remaining, 205.472656 MB of memory in use. ENERGY: 2276800 748.8004 2086.0025 1962.1818 114.0738 -206158.9850 17684.8843 0.0000 0.0000 34071.8355 -149491.2067 297.5578 -183563.0421 -149396.3752 298.4418 -171.6489 -139.9516 557834.7877 3.5033 3.3500 PRESSURE: 2277000 -66.5426 30.093 -18.5796 30.0928 70.9451 -96.0721 -18.5804 -96.0724 -154.838 GPRESSURE: 2277000 -76.2384 80.599 15.5846 -5.91222 101.565 -98.4388 19.6363 -129.951 -76.7833 PRESSAVG: 2277000 -37.0974 25.5996 -0.302633 25.5996 12.8688 2.84065 -0.302685 2.84077 -20.9956 GPRESSAVG: 2277000 -37.7142 26.3723 1.47842 25.4576 12.308 4.37277 -1.51267 1.95233 -18.9283 TIMING: 2277000 CPU: 6606.96, 0.00288048/step Wall: 6606.96, 0.00288048/step, 2.17876 hours remaining, 205.472656 MB of memory in use. ENERGY: 2277000 761.4024 2094.9885 1970.7162 116.4626 -206433.0790 17806.7059 0.0000 0.0000 34168.3755 -149514.4281 298.4009 -183682.8036 -149417.4531 298.3329 -50.1450 -17.1522 557330.7490 -15.0747 -14.7782 PRESSURE: 2277200 -113.615 74.1966 112.688 74.1969 56.3937 100.308 112.689 100.309 -42.3847 GPRESSURE: 2277200 -73.5854 126.184 138.85 52.6635 97.2036 67.9189 101.347 123.747 -12.1632 PRESSAVG: 2277200 17.5971 9.73441 46.1687 9.73455 -30.0106 6.97889 46.1687 6.979 24.7041 GPRESSAVG: 2277200 18.565 10.8422 46.2243 7.65521 -29.1205 6.01891 46.0397 7.94691 22.6048 TIMING: 2277200 CPU: 6607.53, 0.0028929/step Wall: 6607.53, 0.0028929/step, 2.188 hours remaining, 205.472656 MB of memory in use. ENERGY: 2277200 722.5555 2103.5168 2009.2167 111.0904 -206214.3173 17656.4711 0.0000 0.0000 33979.9897 -149631.4771 296.7557 -183611.4668 -149539.1276 297.3296 -33.2021 3.8183 555481.8901 4.0968 4.0164 PRESSURE: 2277400 -286.045 16.4638 212.347 16.4649 -231.825 -170.248 212.347 -170.248 -183.032 GPRESSURE: 2277400 -224.993 -9.78166 200.606 28.1824 -260.352 -186.3 225.855 -95.6435 -119.435 PRESSAVG: 2277400 24.6272 32.8715 -0.758602 32.8715 -56.2397 3.1179 -0.758587 3.1181 28.6494 GPRESSAVG: 2277400 25.1965 33.1663 -1.93489 34.0253 -55.4302 1.08749 0.587474 3.57703 27.4786 TIMING: 2277400 CPU: 6608.11, 0.00289652/step Wall: 6608.11, 0.00289652/step, 2.19057 hours remaining, 205.472656 MB of memory in use. ENERGY: 2277400 769.5851 2074.1321 1955.1336 108.2316 -206092.7686 17603.1825 0.0000 0.0000 33863.6099 -149718.8938 295.7393 -183582.5037 -149626.9161 297.4951 -233.6339 -201.5933 558580.6411 -0.9877 -0.9184 PRESSURE: 2277600 -216.791 216.747 48.7748 216.747 -114.244 209.362 48.774 209.361 -115.032 GPRESSURE: 2277600 -153.283 249.569 51.7144 191.85 -84.3974 143.139 15.6371 218.388 -104.523 PRESSAVG: 2277600 -52.484 43.3155 52.5796 43.3155 9.41051 -2.14331 52.5795 -2.14337 100.547 GPRESSAVG: 2277600 -53.8184 43.9623 51.8314 41.6292 9.45054 0.771097 54.8994 -2.9784 102.035 TIMING: 2277600 CPU: 6608.69, 0.00290123/step Wall: 6608.69, 0.00290123/step, 2.19398 hours remaining, 205.472656 MB of memory in use. ENERGY: 2277600 742.2575 2074.9966 1955.6081 111.7000 -206300.9636 17604.9482 0.0000 0.0000 34303.9030 -149507.5501 299.5845 -183811.4531 -149414.2140 298.1297 -148.6889 -114.0676 557144.0069 19.1578 19.2224 PRESSURE: 2277800 205.855 23.9668 52.8256 23.9666 42.2572 -7.10168 52.8254 -7.09991 30.8775 GPRESSURE: 2277800 162.35 64.5465 49.623 70.9216 65.7636 6.16474 71.0867 29.5699 146.699 PRESSAVG: 2277800 -75.9768 46.6362 59.634 46.6361 -39.79 27.8975 59.634 27.8976 83.3906 GPRESSAVG: 2277800 -74.6252 44.6846 61.3941 49.2441 -39.9256 27.3742 59.2014 27.4164 82.2024 TIMING: 2277800 CPU: 6609.27, 0.00290214/step Wall: 6609.27, 0.00290214/step, 2.1945 hours remaining, 205.472656 MB of memory in use. ENERGY: 2277800 725.1053 2064.0576 1961.8625 117.8753 -206703.2054 18054.9859 0.0000 0.0000 34164.4936 -149614.8251 298.3670 -183779.3188 -149521.2513 297.5533 92.9966 124.9378 557592.9778 -10.7921 -10.7828 PRESSURE: 2278000 -148.805 129.314 64.1072 129.313 45.004 33.7518 64.1074 33.7511 52.5627 GPRESSURE: 2278000 -134.726 90.5638 139.654 220.42 65.1557 18.5816 -82.7156 60.4017 111.818 PRESSAVG: 2278000 -35.0623 -10.5637 7.73761 -10.5638 -13.7836 31.0737 7.73762 31.0736 56.2866 GPRESSAVG: 2278000 -34.6274 -6.56939 9.20315 -13.1685 -14.3601 29.926 3.98078 30.5188 56.2758 TIMING: 2278000 CPU: 6609.85, 0.00289697/step Wall: 6609.85, 0.00289697/step, 2.19043 hours remaining, 205.472656 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: 2278000 759.8261 2081.8603 1990.3923 104.9344 -206597.5016 17876.5077 0.0000 0.0000 34347.9551 -149436.0258 299.9692 -183783.9808 -149341.7033 297.8039 -17.0795 14.0826 555544.9221 2.4802 2.4294 PRESSURE: 2278200 -308.442 -27.2492 16.7558 -27.249 -264.084 3.90994 16.7567 3.90936 12.9132 GPRESSURE: 2278200 -266.561 31.6275 84.1763 -122.133 -275.589 67.658 43.6139 8.78887 69.222 PRESSAVG: 2278200 -59.918 -19.5023 -36.7175 -19.5023 56.7662 -2.87687 -36.7175 -2.8768 4.04607 GPRESSAVG: 2278200 -60.4297 -21.4991 -36.1444 -20.8701 56.3554 -1.5231 -35.5476 -0.673954 4.30442 TIMING: 2278200 CPU: 6610.44, 0.00291314/step Wall: 6610.44, 0.00291314/step, 2.2025 hours remaining, 205.472656 MB of memory in use. ENERGY: 2278200 750.6649 2179.0595 1973.5691 118.5870 -205996.5904 17555.8377 0.0000 0.0000 34042.9508 -149375.9213 297.3056 -183418.8721 -149282.0433 298.5230 -186.5376 -157.6426 558784.7973 0.2981 0.0767 PRESSURE: 2278400 -236.039 -39.365 84.2844 -39.3642 -95.5813 -94.4623 84.2849 -94.4623 -53.1973 GPRESSURE: 2278400 -169.14 1.83044 25.8518 -68.0514 -54.7521 -81.4954 154.75 -72.3926 -64.9797 PRESSAVG: 2278400 -25.4295 51.2668 -22.2457 51.2668 -2.65655 -22.628 -22.2458 -22.628 42.9658 GPRESSAVG: 2278400 -24.9059 50.1548 -24.4082 53.5645 -2.05151 -23.0289 -19.6823 -23.1345 42.2336 TIMING: 2278400 CPU: 6611.02, 0.00290219/step Wall: 6611.02, 0.00290219/step, 2.19405 hours remaining, 205.472656 MB of memory in use. ENERGY: 2278400 767.4697 2054.5904 1950.4169 97.8392 -205960.9332 17566.1532 0.0000 0.0000 34090.9468 -149433.5169 297.7247 -183524.4637 -149337.7039 298.5951 -128.2724 -96.2905 557680.4513 4.9599 5.0921 PRESSURE: 2278600 -0.155197 -199.77 84.7067 -199.77 -63.6763 -17.7971 84.7062 -17.7967 -103.935 GPRESSURE: 2278600 75.9386 -153.06 147.939 -108.975 -105.689 -30.3825 58.3075 11.9424 -36.9471 PRESSAVG: 2278600 -55.895 72.8407 -0.89498 72.8406 34.8364 22.7345 -0.895008 22.7347 36.1686 GPRESSAVG: 2278600 -55.9572 72.8583 -0.414941 73.5593 34.4467 22.0368 -2.87103 22.5598 36.7183 TIMING: 2278600 CPU: 6611.6, 0.00290777/step Wall: 6611.6, 0.00290777/step, 2.19811 hours remaining, 205.472656 MB of memory in use. ENERGY: 2278600 748.6892 2050.5460 1979.8827 108.8105 -206028.6348 17557.6199 0.0000 0.0000 34265.8695 -149317.2171 299.2524 -183583.0865 -149223.8184 298.6553 -55.9223 -22.2324 557776.0163 5.0367 5.0693 PRESSURE: 2278800 -128.303 -131.414 -104.869 -131.415 11.0498 -226.842 -104.867 -226.845 69.7466 GPRESSURE: 2278800 -98.1628 -76.4543 -98.1846 -54.712 42.5455 -181.858 -201.095 -284.53 88.4839 PRESSAVG: 2278800 12.2185 1.02323 39.0291 1.02315 43.6586 -87.8703 39.0289 -87.8704 -50.2793 GPRESSAVG: 2278800 11.6728 -0.230892 40.0689 2.23683 43.2276 -87.2773 40.1476 -86.2854 -49.2404 TIMING: 2278800 CPU: 6612.18, 0.00289619/step Wall: 6612.18, 0.00289619/step, 2.1892 hours remaining, 205.472656 MB of memory in use. ENERGY: 2278800 737.5965 2057.8355 1973.3623 106.2655 -206093.3360 17709.4670 0.0000 0.0000 34080.3112 -149428.4981 297.6318 -183508.8093 -149329.2120 298.9329 -15.8355 10.9555 557945.7544 1.8659 1.8867 PRESSURE: 2279000 26.3514 -169.347 123.829 -169.347 -150.028 -133.476 123.829 -133.477 -24.537 GPRESSURE: 2279000 51.4337 -161.469 36.4385 -202.015 -94.8573 -158.815 72.044 -89.1259 -4.17109 PRESSAVG: 2279000 21.7143 -13.775 -17.1554 -13.7749 -15.6853 -27.0648 -17.1555 -27.0648 20.2212 GPRESSAVG: 2279000 21.4814 -13.3977 -18.6894 -14.6129 -15.132 -26.0794 -18.9699 -30.2784 19.9697 TIMING: 2279000 CPU: 6612.76, 0.00291538/step Wall: 6612.76, 0.00291538/step, 2.20354 hours remaining, 205.472656 MB of memory in use. ENERGY: 2279000 733.4889 2034.2183 1952.3923 113.2773 -206243.4431 17786.0438 0.0000 0.0000 34011.2803 -149612.7423 297.0290 -183624.0226 -149518.6071 298.1257 -49.4046 -15.8649 557847.7903 8.7501 8.7730 PRESSURE: 2279200 145.363 63.9331 -6.21437 63.932 -283.104 -126.46 -6.2144 -126.461 11.7767 GPRESSURE: 2279200 137.506 108.894 51.6601 85.869 -242.987 -167.792 12.2702 -58.7801 56.6108 PRESSAVG: 2279200 23.9771 -10.5045 2.31695 -10.5044 -23.1844 -12.8749 2.31694 -12.8749 -37.5595 GPRESSAVG: 2279200 25.194 -12.6655 2.4007 -8.39152 -23.0253 -14.0753 2.62474 -11.3981 -38.4527 TIMING: 2279200 CPU: 6613.34, 0.00290359/step Wall: 6613.34, 0.00290359/step, 2.19447 hours remaining, 205.472656 MB of memory in use. ENERGY: 2279200 699.0397 2055.0498 1969.2286 104.4822 -206424.6868 17870.5144 0.0000 0.0000 34196.7426 -149529.6293 298.6487 -183726.3719 -149435.8203 297.4781 -41.9880 -16.2899 557451.3970 -12.2556 -12.0947 PRESSURE: 2279400 115.982 29.6318 86.9098 29.6333 56.7894 3.60683 86.9087 3.60733 48.0475 GPRESSURE: 2279400 107.206 30.2964 119.024 17.2665 83.349 14.4984 122.124 -19.1516 116.471 PRESSAVG: 2279400 16.8837 14.8793 4.60906 14.8794 -26.7114 -32.1726 4.609 -32.1726 28.394 GPRESSAVG: 2279400 15.7627 18.7813 3.95596 12.0873 -26.2898 -32.4236 6.43115 -33.2652 28.457 TIMING: 2279400 CPU: 6613.92, 0.00291825/step Wall: 6613.92, 0.00291825/step, 2.20539 hours remaining, 205.472656 MB of memory in use. ENERGY: 2279400 696.1773 2124.8174 1985.8450 111.2500 -206404.5768 17855.2824 0.0000 0.0000 34097.5519 -149533.6529 297.7824 -183631.2047 -149441.9943 298.2806 73.6062 102.3419 555810.9243 6.1888 5.9767 PRESSURE: 2279600 22.261 239.574 -84.1395 239.575 -19.1234 68.6639 -84.1388 68.6637 92.4946 GPRESSURE: 2279600 61.6401 237.609 -35.3554 188.542 46.8593 -0.28814 -78.5592 101.04 82.2076 PRESSAVG: 2279600 51.1218 -1.02594 11.1107 -1.026 -19.7101 71.0853 11.1107 71.0853 10.8593 GPRESSAVG: 2279600 51.4772 -1.28506 11.8834 -1.24266 -19.9494 72.3377 9.37742 72.1737 10.8942 TIMING: 2279600 CPU: 6614.5, 0.00289961/step Wall: 6614.5, 0.00289961/step, 2.19114 hours remaining, 205.472656 MB of memory in use. ENERGY: 2279600 728.7474 2079.6822 1914.5653 106.2378 -206246.2445 17756.4842 0.0000 0.0000 34334.3160 -149326.2115 299.8501 -183660.5276 -149236.5766 298.0942 31.8774 63.5690 556115.0466 14.0903 14.1407 PRESSURE: 2279800 110.972 -131.146 105.763 -131.145 97.754 130.778 105.762 130.777 72.4339 GPRESSURE: 2279800 109.4 -158.469 54.994 -144.028 130.754 93.2788 154.972 172.407 136.419 PRESSAVG: 2279800 -1.05698 0.883874 -12.0677 0.883738 -19.3143 59.1535 -12.0676 59.1534 40.9071 GPRESSAVG: 2279800 -1.57098 -0.736836 -12.324 2.39286 -20.0458 56.527 -11.3826 59.2864 41.1945 TIMING: 2279800 CPU: 6615.09, 0.00291295/step Wall: 6615.09, 0.00291295/step, 2.20106 hours remaining, 205.472656 MB of memory in use. ENERGY: 2279800 734.8105 2087.4410 1975.2240 128.4667 -206133.1636 17778.7815 0.0000 0.0000 34292.3916 -149136.0483 299.4840 -183428.4399 -149042.1440 299.0024 93.7201 125.5248 555931.0122 6.8453 6.5259 PRESSURE: 2280000 53.6795 -69.3299 -50.828 -69.3288 -119.862 74.344 -50.8272 74.3442 -86.8458 GPRESSURE: 2280000 40.3619 -127.806 30.0603 -84.9647 -55.4781 149.765 -93.6259 27.1366 -46.0053 PRESSAVG: 2280000 26.0727 -12.1963 25.5936 -12.1962 4.15486 33.8264 25.5936 33.8264 -19.7168 GPRESSAVG: 2280000 25.6282 -10.6216 25.399 -12.8328 4.7274 35.8712 25.5329 33.8679 -20.1466 TIMING: 2280000 CPU: 6615.67, 0.00290128/step Wall: 6615.67, 0.00290128/step, 2.19208 hours remaining, 205.472656 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: 2280000 721.3249 2057.2878 1982.9615 109.6921 -206300.9126 17768.8901 0.0000 0.0000 34545.1086 -149115.6475 301.6910 -183660.7561 -149022.4712 299.5764 -51.0094 -20.3738 557091.7305 3.5036 3.4030 PRESSURE: 2280200 -423.081 66.1085 -82.5645 66.1075 -91.9953 -142.507 -82.5638 -142.507 -203.971 GPRESSURE: 2280200 -368.304 67.1046 -150.426 8.78046 -118.119 -164.447 -48.756 -129.27 -142.066 PRESSAVG: 2280200 -50.8629 -38.8928 21.2931 -38.8927 -35.4006 62.9848 21.2931 62.9848 49.3427 GPRESSAVG: 2280200 -50.0156 -39.1864 21.2376 -39.3652 -37.0084 64.6259 21.3265 61.6755 49.5264 TIMING: 2280200 CPU: 6616.24, 0.00288813/step Wall: 6616.24, 0.00288813/step, 2.18199 hours remaining, 205.472656 MB of memory in use. ENERGY: 2280200 776.2369 2097.8711 1990.2253 111.9180 -205833.0432 17320.2686 0.0000 0.0000 34388.0798 -149148.4435 300.3197 -183536.5233 -149060.6333 298.5568 -239.6826 -209.4967 557928.7959 -12.3070 -12.4992 LDB: ============= START OF LOAD BALANCING ============== 6619.71 LDB: ============== END OF LOAD BALANCING =============== 6619.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6619.71 LDB: ============= START OF LOAD BALANCING ============== 6620 LDB: Largest compute 4821 load 0.029171 is 24.8% of average load 0.117641 LDB: Average compute 0.001731 is 1.5% of average load 0.117641 LDB: TIME 6620.01 LOAD: AVG 0.117641 MAX 0.179409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.676 MB LDB: TIME 6620.01 LOAD: AVG 0.117641 MAX 0.179409 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: TIME 6620.01 LOAD: AVG 0.117641 MAX 0.179409 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6620.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6620.01 PRESSURE: 2280400 114.223 -13.9432 -95.347 -13.9422 3.02357 47.2543 -95.3464 47.2544 21.1204 GPRESSURE: 2280400 152.284 47.9093 -37.394 -29.0968 8.02935 135.583 -159 -20.8596 74.3777 PRESSAVG: 2280400 31.2239 -41.2875 -28.1098 -41.2875 -21.2108 2.97959 -28.1099 2.97962 -10.8198 GPRESSAVG: 2280400 30.6577 -40.7879 -26.3867 -41.7399 -19.9799 3.21801 -29.0011 4.14171 -11.2402 TIMING: 2280400 CPU: 6616.84, 0.00296493/step Wall: 6616.84, 0.00296493/step, 2.23984 hours remaining, 206.445312 MB of memory in use. ENERGY: 2280400 732.3002 2074.6842 1976.3934 108.6020 -205857.8570 17763.7986 0.0000 0.0000 34224.6488 -148977.4297 298.8924 -183202.0784 -148882.5223 299.6901 46.1225 78.2304 558333.4901 -0.2689 -0.1875 PRESSURE: 2280600 -107.448 30.0741 150.591 30.0733 135.935 -72.9285 150.59 -72.9273 261.376 GPRESSURE: 2280600 -58.3928 107.531 115.369 -42.1675 189.63 -13.2408 68.7412 -84.9081 254.622 PRESSAVG: 2280600 -33.8264 -23.9949 4.7665 -23.9948 42.4604 -54.4638 4.76645 -54.4638 29.5732 GPRESSAVG: 2280600 -32.7756 -24.6875 2.35337 -22.7937 42.2853 -56.4424 5.33241 -54.9732 28.3918 TIMING: 2280600 CPU: 6617.42, 0.00291374/step Wall: 6617.42, 0.00291374/step, 2.20101 hours remaining, 206.648438 MB of memory in use. ENERGY: 2280600 719.1458 2103.5227 1979.7220 121.8090 -205991.4953 17773.4516 0.0000 0.0000 34346.1710 -148947.6732 299.9537 -183293.8442 -148851.9029 299.8926 96.6211 128.6197 556290.2313 12.7357 12.6339 PRESSURE: 2280800 -191.925 -39.106 62.4273 -39.1069 90.8026 -36.0418 62.4273 -36.0402 -74.6503 GPRESSURE: 2280800 -90.7938 -43.0914 79.2631 -97.4541 136.13 -21.6315 47.7291 -38.5399 -113.874 PRESSAVG: 2280800 -22.4212 6.9109 -17.0564 6.91093 -4.94094 19.4125 -17.0564 19.4126 51.3145 GPRESSAVG: 2280800 -23.1359 7.21473 -15.5554 6.32403 -5.7966 18.8205 -16.9837 17.2694 52.5605 TIMING: 2280800 CPU: 6618, 0.00291502/step Wall: 6618, 0.00291502/step, 2.20181 hours remaining, 206.648438 MB of memory in use. ENERGY: 2280800 777.0064 2139.8898 1958.6385 112.9799 -206352.8816 17837.7347 0.0000 0.0000 34291.6749 -149234.9573 299.4777 -183526.6322 -149135.2434 300.2018 -58.5909 -22.8458 557300.9225 7.9841 7.8760 PRESSURE: 2281000 -4.67887 -156.671 154.34 -156.67 -15.3906 0.184795 154.34 0.185264 -137.239 GPRESSURE: 2281000 20.1152 -98.1409 159.443 -231.952 16.9276 66.065 129.765 -56.33 -91.789 PRESSAVG: 2281000 4.11175 19.1343 36.7103 19.1342 71.6986 -7.23777 36.7104 -7.23774 -76.6689 GPRESSAVG: 2281000 3.68126 18.1513 35.0459 19.9945 72.4283 -7.42367 37.6128 -5.28394 -76.4893 TIMING: 2281000 CPU: 6618.59, 0.00291242/step Wall: 6618.59, 0.00291242/step, 2.19968 hours remaining, 206.648438 MB of memory in use. ENERGY: 2281000 747.7381 2148.6507 1961.0153 99.7900 -206516.0384 17993.4218 0.0000 0.0000 34257.3414 -149308.0811 299.1779 -183565.4225 -149207.2550 299.1745 -52.4362 -18.2487 558278.1105 -0.2862 -0.1266 PRESSURE: 2281200 -125.447 69.2019 16.0155 69.201 59.9635 -54.9488 16.0163 -54.9501 -39.2239 GPRESSURE: 2281200 -81.7939 115.542 -16.6394 12.6345 87.4856 9.884 40.0894 -47.2977 -8.57807 PRESSAVG: 2281200 49.1279 -29.5472 18.0869 -29.5471 -55.4397 -33.7112 18.0869 -33.7113 -10.2027 GPRESSAVG: 2281200 49.8584 -28.8547 18.3583 -30.8723 -56.4969 -34.0204 19.0143 -32.4516 -9.8021 TIMING: 2281200 CPU: 6619.16, 0.00289022/step Wall: 6619.16, 0.00289022/step, 2.18276 hours remaining, 206.648438 MB of memory in use. ENERGY: 2281200 738.8556 2096.6891 1947.1237 109.1175 -206450.5527 17850.2930 0.0000 0.0000 34410.3368 -149298.1370 300.5140 -183708.4737 -149198.3751 299.2294 -34.9026 -0.9621 558043.4128 -5.5048 -5.4802 PRESSURE: 2281400 -174.734 -74.4255 -71.7057 -74.424 -57.4699 28.4152 -71.7064 28.414 -6.71957 GPRESSURE: 2281400 -157.614 -13.4306 -100.431 -47.2166 2.71008 103.707 -51.0843 37.0063 -1.07457 PRESSAVG: 2281400 68.5078 -43.6842 45.8852 -43.6842 5.80609 -17.3574 45.8853 -17.3573 -32.437 GPRESSAVG: 2281400 68.0888 -42.9534 46.2133 -43.2953 6.77757 -18.3528 46.077 -18.1532 -33.3275 TIMING: 2281400 CPU: 6619.75, 0.00290785/step Wall: 6619.75, 0.00290785/step, 2.19591 hours remaining, 206.648438 MB of memory in use. ENERGY: 2281400 752.3995 2057.2038 1946.1715 108.6490 -206244.5435 17867.5082 0.0000 0.0000 34367.7338 -149144.8777 300.1420 -183512.6115 -149046.9053 299.5888 -79.6410 -51.9929 558507.6158 13.9590 13.8463 PRESSURE: 2281600 -215.065 142.028 16.7232 142.028 -70.0767 -40.4798 16.7228 -40.4797 -125.117 GPRESSURE: 2281600 -182.348 55.2375 -40.7903 166.779 -47.0915 -30.7411 102.587 -78.8062 -104.836 PRESSAVG: 2281600 -22.863 27.3519 -30.7174 27.3518 40.5782 -44.3456 -30.7175 -44.3456 -25.0101 GPRESSAVG: 2281600 -23.0064 26.2737 -30.5843 28.061 41.0406 -44.8166 -31.971 -43.5651 -25.2538 TIMING: 2281600 CPU: 6620.32, 0.00289237/step Wall: 6620.32, 0.00289237/step, 2.18406 hours remaining, 206.648438 MB of memory in use. ENERGY: 2281600 710.3812 2087.0701 1951.7398 100.8935 -205626.5604 17366.9775 0.0000 0.0000 34197.1530 -149212.3452 298.6522 -183409.4983 -149115.5290 299.0646 -136.7529 -111.4250 558939.9898 -2.4316 -2.4066 PRESSURE: 2281800 65.8813 -221.056 17.3254 -221.055 -132.14 52.6016 17.324 52.6022 -103.195 GPRESSURE: 2281800 109.235 -315.892 -10.8985 -211.152 -104.944 63.3079 -13.6019 79.7262 -67.8923 PRESSAVG: 2281800 -21.7453 -16.2374 2.67124 -16.2374 49.2702 -18.1559 2.67126 -18.1559 -10.6008 GPRESSAVG: 2281800 -20.5466 -14.8508 5.33196 -16.6696 48.9647 -17.1155 1.93354 -18.5679 -10.7628 TIMING: 2281800 CPU: 6620.9, 0.00290097/step Wall: 6620.9, 0.00290097/step, 2.19039 hours remaining, 206.890625 MB of memory in use. ENERGY: 2281800 737.5304 2096.9147 1959.0490 115.9419 -206204.7297 17807.5659 0.0000 0.0000 34421.3334 -149066.3943 300.6101 -183487.7277 -148973.4727 299.7292 -56.4845 -21.2004 558092.3768 5.6413 5.8851 PRESSURE: 2282000 -261.936 -120.375 167.487 -120.375 78.6355 -89.0392 167.487 -89.0398 -209.015 GPRESSURE: 2282000 -214.572 -70.6303 122.006 -107.05 115.091 -83.2789 91.1319 -191.882 -186.403 PRESSAVG: 2282000 -47.312 18.8185 51.2368 18.8186 16.277 -21.6405 51.2367 -21.6406 9.30516 GPRESSAVG: 2282000 -47.1842 17.8378 49.3607 18.6573 14.8868 -20.479 50.8502 -20.1284 10.6078 TIMING: 2282000 CPU: 6621.49, 0.00290903/step Wall: 6621.49, 0.00290903/step, 2.19632 hours remaining, 206.890625 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: 2282000 752.9618 2110.9489 1974.2985 109.7994 -206357.0607 17781.2239 0.0000 0.0000 34267.4095 -149360.4187 299.2658 -183627.8282 -149264.6344 299.6184 -130.7717 -95.2949 559507.3202 -7.2433 -7.2299 PRESSURE: 2282200 -287.52 -60.337 -64.5641 -60.3367 -218.924 -42.9393 -64.5636 -42.9389 -50.9106 GPRESSURE: 2282200 -219.363 -86.8734 -84.3367 -32.1746 -190.335 -101.522 -118.474 -56.5306 -55.5003 PRESSAVG: 2282200 22.9966 -22.8893 -0.38609 -22.8894 62.9922 -50.9004 -0.386038 -50.9005 -75.2436 GPRESSAVG: 2282200 22.4322 -19.9018 -0.784047 -23.9741 64.0958 -53.3353 1.28119 -53.7456 -76.3646 TIMING: 2282200 CPU: 6622.06, 0.00288977/step Wall: 6622.06, 0.00288977/step, 2.18161 hours remaining, 206.890625 MB of memory in use. ENERGY: 2282200 741.2713 2112.2800 1952.3318 116.8556 -206494.7011 17779.1246 0.0000 0.0000 34310.0190 -149482.8188 299.6379 -183792.8378 -149380.9441 298.6984 -185.7848 -155.0661 558084.1893 3.5817 3.3878 PRESSURE: 2282400 3.73793 -19.9507 -19.2091 -19.9497 183.052 96.7632 -19.2075 96.7613 34.6407 GPRESSURE: 2282400 81.9161 -72.7859 -65.6071 -79.9415 238.043 93.3793 20.3488 67.7554 4.66502 PRESSAVG: 2282400 4.31246 -6.46413 -14.6778 -6.46419 -4.52229 8.24429 -14.6777 8.24429 -21.9007 GPRESSAVG: 2282400 4.20543 -9.59083 -16.0184 -6.02123 -3.86572 9.79099 -14.2765 9.06697 -22.1265 TIMING: 2282400 CPU: 6622.65, 0.00291769/step Wall: 6622.65, 0.00291769/step, 2.20253 hours remaining, 206.890625 MB of memory in use. ENERGY: 2282400 724.9565 2050.4474 1949.1735 112.1894 -206562.1826 17940.0582 0.0000 0.0000 34114.6236 -149670.7341 297.9315 -183785.3577 -149571.4516 298.2306 73.8103 108.2081 555377.3175 -7.3702 -7.2623 PRESSURE: 2282600 -207.223 -126.131 -9.37136 -126.13 -83.0023 51.0646 -9.37209 51.0659 -322.031 GPRESSURE: 2282600 -147.457 -125.134 -62.3409 -162.01 -77.9883 -27.1306 110.77 50.0982 -291.717 PRESSAVG: 2282600 28.8422 -22.4086 -103.175 -22.4085 34.0376 -4.6322 -103.175 -4.6322 -101.381 GPRESSAVG: 2282600 28.5771 -22.3891 -103.165 -20.9259 32.9253 -4.00935 -102.965 -5.45723 -99.7917 TIMING: 2282600 CPU: 6623.23, 0.00289916/step Wall: 6623.23, 0.00289916/step, 2.18838 hours remaining, 206.890625 MB of memory in use. ENERGY: 2282600 703.1175 2036.6346 1970.7286 102.2466 -206090.3552 17575.8414 0.0000 0.0000 33930.7596 -149771.0269 296.3258 -183701.7864 -149673.0285 297.7260 -204.0853 -172.3875 556575.2804 -12.8338 -12.7631 PRESSURE: 2282800 -60.9837 68.9572 -104.665 68.9585 96.6632 183.237 -104.665 183.237 -18.0826 GPRESSURE: 2282800 7.26881 2.0718 -109.254 113.159 96.6162 110.121 -57.0926 303.206 7.22229 PRESSAVG: 2282800 -14.2726 -69.8588 -38.4673 -69.8588 31.8921 -23.246 -38.4673 -23.246 -35.713 GPRESSAVG: 2282800 -14.2976 -70.6281 -36.2017 -69.6752 32.128 -24.0485 -38.1834 -23.9082 -35.4179 TIMING: 2282800 CPU: 6623.81, 0.00289425/step Wall: 6623.81, 0.00289425/step, 2.18452 hours remaining, 206.890625 MB of memory in use. ENERGY: 2282800 775.5204 2093.9179 1954.5603 110.8732 -206768.2510 17975.2556 0.0000 0.0000 34169.8221 -149688.3014 298.4136 -183858.1235 -149586.3309 297.5910 5.8656 37.0358 556268.9983 -6.0311 -5.8625 PRESSURE: 2283000 150.374 94.1784 -109.713 94.1794 -233.565 55.8401 -109.714 55.8399 -66.2261 GPRESSURE: 2283000 235.03 127.918 -47.5881 134.933 -225.599 -13.6839 -139.45 104.906 -58.0428 PRESSAVG: 2283000 22.1239 23.7038 -12.2755 23.7038 -19.6156 -1.72561 -12.2754 -1.72572 -5.41689 GPRESSAVG: 2283000 23.1432 23.9097 -12.6199 24.6598 -19.9269 -1.83528 -12.6697 -1.63311 -5.52877 TIMING: 2283000 CPU: 6624.38, 0.00289056/step Wall: 6624.38, 0.00289056/step, 2.18157 hours remaining, 206.890625 MB of memory in use. ENERGY: 2283000 752.5092 2091.2299 1937.0327 114.1796 -206744.1366 17878.2005 0.0000 0.0000 34251.2070 -149719.7778 299.1243 -183970.9847 -149626.9927 297.8815 -49.8055 -16.2040 557012.1243 -0.9695 -0.7708 PRESSURE: 2283200 214.826 91.912 -112.875 91.9122 349.847 -85.5232 -112.876 -85.5239 197.463 GPRESSURE: 2283200 235.725 29.2061 -109.101 134.726 371.081 -13.6947 -98.5591 -80.9209 251.631 PRESSAVG: 2283200 28.7556 -3.61298 23.2193 -3.61297 51.5386 -5.30438 23.2194 -5.3045 -5.03303 GPRESSAVG: 2283200 28.2989 -4.71143 22.6633 -5.08421 51.6123 -4.16632 22.0481 -3.54149 -4.51547 TIMING: 2283200 CPU: 6624.96, 0.00289433/step Wall: 6624.96, 0.00289433/step, 2.18426 hours remaining, 206.890625 MB of memory in use. ENERGY: 2283200 717.9642 2006.6893 1972.8952 120.2516 -207161.7803 18362.6767 0.0000 0.0000 34226.1161 -149755.1872 298.9052 -183981.3033 -149656.1217 298.3532 254.0451 286.1453 556643.0458 25.0871 25.1319 PRESSURE: 2283400 95.565 -17.1799 78.6537 -17.1799 -102.221 -139.651 78.6534 -139.651 -133.969 GPRESSURE: 2283400 101.293 112.645 41.8108 -12.1047 -39.9679 -87.8124 43.2652 -68.562 -96.5441 PRESSAVG: 2283400 20.3513 -26.1886 45.6973 -26.1888 17.3481 -8.9836 45.6972 -8.98358 -36.9933 GPRESSAVG: 2283400 20.1363 -24.6676 45.6028 -27.1293 17.7832 -9.43907 45.6813 -9.09859 -37.4684 TIMING: 2283400 CPU: 6625.54, 0.00289558/step Wall: 6625.54, 0.00289558/step, 2.18504 hours remaining, 206.890625 MB of memory in use. ENERGY: 2283400 743.5778 2119.7360 1963.7717 128.5452 -206549.0541 17757.4528 0.0000 0.0000 34143.0724 -149692.8982 298.1799 -183835.9706 -149603.9749 298.0547 -46.8750 -11.7397 556591.5177 0.2353 0.1504 PRESSURE: 2283600 262.619 14.1431 67.0457 14.1432 152.364 -158.407 67.0447 -158.406 103.174 GPRESSURE: 2283600 305.711 -5.31478 39.6235 87.7269 163.448 -168.34 94.8712 -114.375 146.315 PRESSAVG: 2283600 -26.7685 -0.88145 -18.6707 -0.881524 8.76681 -13.7408 -18.6707 -13.7408 25.3619 GPRESSAVG: 2283600 -26.231 -0.684999 -17.3703 -2.54703 7.64977 -13.0823 -16.9311 -15.2197 26.0143 TIMING: 2283600 CPU: 6626.12, 0.00290395/step Wall: 6626.12, 0.00290395/step, 2.19119 hours remaining, 206.890625 MB of memory in use. ENERGY: 2283600 691.2668 2079.2184 1976.4060 109.3910 -206528.8872 17891.3738 0.0000 0.0000 34026.2772 -149754.9539 297.1599 -183781.2312 -149658.8305 298.0505 172.7187 205.1580 555768.3388 2.4534 2.4777 PRESSURE: 2283800 -262.436 -22.9073 85.8186 -22.9089 -61.193 78.8632 85.8176 78.8645 -214.574 GPRESSURE: 2283800 -218.077 -33.3942 41.1205 -84.7301 -35.2646 132.147 43.5863 16.7751 -185.342 PRESSAVG: 2283800 15.4368 50.1656 47.8367 50.1655 -33.1122 -6.3245 47.8367 -6.32443 0.365368 GPRESSAVG: 2283800 15.615 49.93 47.617 52.1481 -32.7327 -6.11154 46.1775 -6.59355 0.0417112 TIMING: 2283800 CPU: 6626.7, 0.00288442/step Wall: 6626.7, 0.00288442/step, 2.17629 hours remaining, 206.890625 MB of memory in use. ENERGY: 2283800 749.1261 2129.8719 1972.7732 104.9638 -206064.8605 17428.5763 0.0000 0.0000 34038.3094 -149641.2398 297.2650 -183679.5492 -149544.9025 297.6464 -179.4009 -146.2278 556578.1552 -5.7700 -5.6920 PRESSURE: 2284000 -59.1211 -212.519 16.1559 -212.519 112.544 -122.675 16.155 -122.674 198.467 GPRESSURE: 2284000 65.0426 -193.638 -61.9133 -262.487 78.6232 -121.648 55.0563 -102.188 197.489 PRESSAVG: 2284000 28.2144 -47.3106 27.9127 -47.3106 -27.6155 -34.3801 27.9127 -34.3801 15.3594 GPRESSAVG: 2284000 28.0657 -45.8881 25.4391 -47.4961 -26.931 -36.4918 32.0306 -31.6832 14.9929 TIMING: 2284000 CPU: 6627.28, 0.00290781/step Wall: 6627.28, 0.00290781/step, 2.19378 hours remaining, 206.890625 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: 2284000 721.6467 2102.3293 1964.0253 113.9120 -206602.4323 17893.6186 0.0000 0.0000 34130.6278 -149676.2725 298.0713 -183806.9003 -149583.2074 298.1900 83.9633 113.7182 555841.7546 5.3194 5.3759 PRESSURE: 2284200 -176.043 -80.5411 58.3348 -80.5421 -163.08 -158.8 58.3348 -158.799 -137.307 GPRESSURE: 2284200 -128.079 -56.2564 79.7645 -82.8245 -146.675 -199.107 22.2352 -88.7678 -109.226 PRESSAVG: 2284200 -15.9835 6.66628 36.4564 6.6663 -66.9426 -41.5999 36.4563 -41.5999 47.1921 GPRESSAVG: 2284200 -16.4662 5.9579 37.8556 7.83491 -66.6358 -40.7111 35.4827 -44.5098 46.9702 TIMING: 2284200 CPU: 6627.86, 0.00291017/step Wall: 6627.86, 0.00291017/step, 2.1954 hours remaining, 206.890625 MB of memory in use. ENERGY: 2284200 745.9334 2051.6198 1968.2242 116.8312 -205901.6952 17368.8878 0.0000 0.0000 34294.4486 -149355.7502 299.5019 -183650.1988 -149255.8918 298.5723 -158.8098 -127.9933 557472.8252 -11.9113 -12.0439 LDB: ============= START OF LOAD BALANCING ============== 6631.33 LDB: ============== END OF LOAD BALANCING =============== 6631.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6631.33 LDB: ============= START OF LOAD BALANCING ============== 6631.62 LDB: Largest compute 4821 load 0.030053 is 25.6% of average load 0.117561 LDB: Average compute 0.001732 is 1.5% of average load 0.117561 LDB: TIME 6631.63 LOAD: AVG 0.117561 MAX 0.177636 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 6631.63 LOAD: AVG 0.117561 MAX 0.177636 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: TIME 6631.63 LOAD: AVG 0.117561 MAX 0.177636 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: ============== END OF LOAD BALANCING =============== 6631.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6631.63 PRESSURE: 2284400 -200.189 -106.931 -9.08979 -106.932 -62.2818 -75.524 -9.09005 -75.5231 -100.056 GPRESSURE: 2284400 -173.617 -126.301 23.9459 -189.819 29.6054 -19.94 -38.0036 -23.5587 -108.359 PRESSAVG: 2284400 5.56943 -21.6607 58.7195 -21.6606 -8.072 -3.15245 58.7196 -3.15241 4.55236 GPRESSAVG: 2284400 5.53826 -23.4526 59.0813 -21.3234 -8.04755 -3.95505 56.1545 -0.453397 4.96579 TIMING: 2284400 CPU: 6628.46, 0.00296785/step Wall: 6628.46, 0.00296785/step, 2.23875 hours remaining, 206.132812 MB of memory in use. ENERGY: 2284400 741.2545 2045.9180 1959.1411 125.3254 -205943.8831 17574.2512 0.0000 0.0000 34242.2175 -149255.7753 299.0458 -183497.9929 -149159.6152 298.9271 -120.8423 -84.1238 557944.6239 0.6833 0.8188 PRESSURE: 2284600 92.2619 -61.3179 -99.1717 -61.3165 -192.467 -6.05549 -99.1723 -6.05597 -77.2105 GPRESSURE: 2284600 129.671 -45.5018 -106.895 16.3286 -175.703 57.4903 -133.603 -71.2646 -32.8553 PRESSAVG: 2284600 47.7196 5.2144 1.55607 5.21435 -77.9799 -15.7158 1.55605 -15.7158 -3.79 GPRESSAVG: 2284600 47.3916 6.30895 0.700615 5.69374 -77.7862 -14.9354 2.16654 -15.7942 -4.09052 TIMING: 2284600 CPU: 6629.04, 0.00292069/step Wall: 6629.04, 0.00292069/step, 2.20302 hours remaining, 206.203125 MB of memory in use. ENERGY: 2284600 759.2249 2074.8153 1962.6128 116.0878 -206444.4893 17945.2415 0.0000 0.0000 34275.8879 -149310.6192 299.3399 -183586.5071 -149209.5540 298.9407 -59.1384 -26.2958 558221.4999 -11.3501 -11.4950 PRESSURE: 2284800 -109.025 25.8483 -84.7687 25.8498 96.2452 -38.2493 -84.7676 -38.2515 21.3094 GPRESSURE: 2284800 -54.1942 8.77231 -9.1526 60.8115 117.45 -36.2465 -82.6224 -100.945 34.9895 PRESSAVG: 2284800 -62.7943 5.59091 28.1997 5.59092 26.1829 -36.863 28.1997 -36.8629 67.0412 GPRESSAVG: 2284800 -63.1512 6.53788 29.1804 6.07505 25.3969 -36.5031 28.8484 -37.4232 67.3302 TIMING: 2284800 CPU: 6629.62, 0.00289023/step Wall: 6629.62, 0.00289023/step, 2.17987 hours remaining, 206.203125 MB of memory in use. ENERGY: 2284800 779.8426 2084.3558 1935.9353 115.4080 -206233.8867 17891.6361 0.0000 0.0000 34155.1405 -149271.5686 298.2853 -183426.7090 -149178.9719 299.1631 2.8433 32.7485 558253.9694 10.1433 9.8587 PRESSURE: 2285000 -293.531 35.481 -13.4307 35.4805 -58.3087 -49.9156 -13.4294 -49.9163 -238.769 GPRESSURE: 2285000 -322.313 11.4656 3.04048 38.5949 -11.8702 9.36304 -77.1179 34.5863 -171.362 PRESSAVG: 2285000 -95.8563 -9.65137 -6.40149 -9.6514 33.0509 29.5752 -6.40156 29.5752 19.8105 GPRESSAVG: 2285000 -96.1276 -11.7861 -7.6276 -9.56049 32.8819 29.182 -7.80642 30.1511 19.5174 TIMING: 2285000 CPU: 6630.2, 0.00290102/step Wall: 6630.2, 0.00290102/step, 2.18785 hours remaining, 206.203125 MB of memory in use. ENERGY: 2285000 748.0660 2037.0639 1931.5197 103.1470 -205761.0098 17509.9092 0.0000 0.0000 34191.1944 -149240.1095 298.6002 -183431.3039 -149137.2464 298.7625 -196.8697 -168.5152 559000.1593 -14.3317 -14.5761 PRESSURE: 2285200 -66.2407 82.6627 79.2924 82.6622 -210.098 -28.044 79.2917 -28.0445 -15.856 GPRESSURE: 2285200 -56.6592 79.4033 23.2747 75.0091 -149.032 -71.6442 78.6421 -65.3805 18.4474 PRESSAVG: 2285200 -11.7883 14.3992 -4.31571 14.3991 -10.2181 -3.65197 -4.31562 -3.65191 34.6849 GPRESSAVG: 2285200 -11.4168 16.6774 -4.1004 11.658 -10.4696 -3.42683 -4.0327 -3.67991 35.235 TIMING: 2285200 CPU: 6630.78, 0.00290563/step Wall: 6630.78, 0.00290563/step, 2.19117 hours remaining, 206.203125 MB of memory in use. ENERGY: 2285200 782.7158 2093.7109 1934.9670 110.9799 -206188.3082 17785.9547 0.0000 0.0000 34526.4147 -148953.5653 301.5278 -183479.9800 -148857.0810 299.5030 -97.3984 -62.4146 558097.8583 4.2262 4.4495 PRESSURE: 2285400 37.3864 72.6772 -143.567 72.6768 -99.2573 81.8609 -143.567 81.8613 -129.176 GPRESSURE: 2285400 77.4771 126.055 -183.245 -32.2301 -105.815 37.5292 -30.167 77.3864 -67.6301 PRESSAVG: 2285400 3.69677 8.12133 -23.9073 8.12138 42.8015 -33.402 -23.9074 -33.402 10.0629 GPRESSAVG: 2285400 3.18527 7.11158 -23.6269 9.28167 43.8353 -33.9761 -22.7111 -35.4767 9.27336 TIMING: 2285400 CPU: 6631.36, 0.00288925/step Wall: 6631.36, 0.00288925/step, 2.17865 hours remaining, 206.203125 MB of memory in use. ENERGY: 2285400 757.8469 2084.7755 1996.1982 104.6149 -205830.5657 17733.0023 0.0000 0.0000 34359.5392 -148794.5887 300.0704 -183154.1279 -148692.0594 300.8138 -63.6822 -31.9893 558114.8307 18.8537 18.7646 PRESSURE: 2285600 -3.99383 137.343 76.1332 137.343 4.32084 -185.145 76.1338 -185.144 -262.634 GPRESSURE: 2285600 19.5462 70.3801 41.5018 145.543 41.6425 -246.602 59.0543 -59.0057 -225.121 PRESSAVG: 2285600 -6.22406 47.2838 -54.6356 47.2837 67.6384 -12.5217 -54.6357 -12.5216 -38.3829 GPRESSAVG: 2285600 -5.31466 46.6379 -53.951 47.2379 65.5133 -11.7764 -55.8532 -11.6526 -36.602 TIMING: 2285600 CPU: 6631.94, 0.00290527/step Wall: 6631.94, 0.00290527/step, 2.19057 hours remaining, 206.203125 MB of memory in use. ENERGY: 2285600 763.3224 2050.3497 1968.1928 131.0499 -205778.7891 17662.8065 0.0000 0.0000 34388.2263 -148814.8415 300.3209 -183203.0678 -148723.5404 300.2464 -87.4355 -54.6440 559106.0526 7.6771 7.8655 PRESSURE: 2285800 -315.132 -100.527 -139.149 -100.527 -174.874 -113.095 -139.149 -113.096 -151.824 GPRESSURE: 2285800 -278.259 -59.2501 -154.823 -64.2017 -174.562 -92.0802 -144.235 -188.24 -92.108 PRESSAVG: 2285800 8.78214 -22.4467 -28.147 -22.4467 -6.93854 -1.61203 -28.147 -1.61202 8.22305 GPRESSAVG: 2285800 9.02439 -22.7925 -28.6233 -20.3511 -6.81367 -1.92765 -27.7057 -1.92514 7.64574 TIMING: 2285800 CPU: 6632.52, 0.00288289/step Wall: 6632.52, 0.00288289/step, 2.17354 hours remaining, 206.273438 MB of memory in use. ENERGY: 2285800 729.4110 2100.0055 1948.3824 128.9832 -205030.3331 17242.2093 0.0000 0.0000 34199.5518 -148681.7899 298.6732 -182881.3417 -148583.5500 299.9457 -213.9435 -181.6430 558109.3456 3.3556 3.2855 PRESSURE: 2286000 -175.381 -7.73092 -190.628 -7.73122 -199.949 73.2744 -190.628 73.2748 -321.573 GPRESSURE: 2286000 -99.7671 -50.372 -251.621 23.5646 -179.487 66.3093 -103.498 127.416 -314.594 PRESSAVG: 2286000 5.9398 -21.2375 36.9474 -21.2374 3.79358 -42.2101 36.9474 -42.2099 -32.8225 GPRESSAVG: 2286000 6.36287 -22.1129 35.8432 -22.9219 4.40167 -42.3461 39.0019 -41.0411 -33.9898 TIMING: 2286000 CPU: 6633.1, 0.00290021/step Wall: 6633.1, 0.00290021/step, 2.18643 hours remaining, 206.273438 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: 2286000 743.7816 2117.3171 1933.7043 107.0101 -205206.6940 17402.3265 0.0000 0.0000 34218.8405 -148683.7139 298.8416 -182902.5544 -148592.9789 300.6219 -232.3014 -197.9496 559492.7830 -7.6964 -7.7418 PRESSURE: 2286200 79.2488 -102.76 -50.8873 -102.758 -184.104 34.7199 -50.8874 34.7198 -268.032 GPRESSURE: 2286200 131.194 -125.299 -108.273 -85.9402 -206.112 -4.7328 -18.4534 110.279 -211.692 PRESSAVG: 2286200 79.3093 44.5199 -18.0007 44.52 11.8231 -3.2596 -18.0007 -3.25949 -93.8415 GPRESSAVG: 2286200 77.3895 47.0015 -17.0565 47.4401 12.2654 -3.73928 -19.1687 -0.96825 -92.9295 TIMING: 2286200 CPU: 6633.67, 0.00288043/step Wall: 6633.67, 0.00288043/step, 2.17136 hours remaining, 206.273438 MB of memory in use. ENERGY: 2286200 726.5736 2063.1147 1965.6808 105.2767 -205644.9933 17397.6141 0.0000 0.0000 34506.0950 -148880.6384 301.3503 -183386.7334 -148784.7051 300.1761 -124.2960 -95.5365 556737.6776 -0.9030 -1.0916 PRESSURE: 2286400 109.611 140.939 78.6977 140.94 4.15962 134.568 78.6978 134.569 241.942 GPRESSURE: 2286400 174.314 105.548 73.2357 124.726 28.6713 95.3525 -11.8241 98.9296 236.376 PRESSAVG: 2286400 14.7117 25.8792 39.0446 25.8791 4.36323 41.8822 39.0447 41.8823 -8.44733 GPRESSAVG: 2286400 15.1948 26.2799 37.1297 23.4583 4.63108 41.4218 38.5008 39.7237 -9.21159 TIMING: 2286400 CPU: 6634.25, 0.00289709/step Wall: 6634.25, 0.00289709/step, 2.18377 hours remaining, 206.273438 MB of memory in use. ENERGY: 2286400 715.8858 2072.6262 1964.0582 110.1824 -205850.5051 17671.7118 0.0000 0.0000 34313.2174 -149002.8235 299.6659 -183316.0409 -148906.9853 299.7358 118.5709 146.4539 556963.7838 3.5425 3.5381 PRESSURE: 2286600 137.844 -11.311 -132.572 -11.3108 3.33548 47.4875 -132.571 47.4876 -80.3817 GPRESSURE: 2286600 105.293 -110.649 -78.5428 -18.3712 42.9618 110.926 -133.103 41.398 -0.945322 PRESSAVG: 2286600 2.12793 52.7876 4.71531 52.7875 69.3932 32.7321 4.71528 32.7321 -48.5097 GPRESSAVG: 2286600 1.62524 49.5802 6.03416 53.6623 69.1741 33.3369 3.52853 34.0524 -47.9023 TIMING: 2286600 CPU: 6634.83, 0.00291473/step Wall: 6634.83, 0.00291473/step, 2.1969 hours remaining, 206.273438 MB of memory in use. ENERGY: 2286600 751.1965 2115.1245 1968.5341 114.6939 -206156.2397 17949.6539 0.0000 0.0000 34434.9902 -148822.0466 300.7293 -183257.0368 -148729.1304 300.6795 20.2658 49.1031 557380.7059 7.6705 7.6323 PRESSURE: 2286800 107.082 -11.2443 169.96 -11.2442 -131.736 -203.571 169.96 -203.569 152.067 GPRESSURE: 2286800 217.894 -31.4476 179.631 -53.0605 -114.726 -110.632 194.827 -230.521 113.938 PRESSAVG: 2286800 3.95609 35.5814 9.19148 35.5814 -57.3784 -68.606 9.19151 -68.6061 16.5837 GPRESSAVG: 2286800 4.64771 37.4177 10.5195 34.743 -57.9884 -66.9937 9.59627 -71.275 15.758 TIMING: 2286800 CPU: 6635.42, 0.00291813/step Wall: 6635.42, 0.00291813/step, 2.19929 hours remaining, 206.273438 MB of memory in use. ENERGY: 2286800 709.1832 2131.4586 1984.7279 132.7830 -206016.4572 17833.9796 0.0000 0.0000 34284.4597 -148939.8654 299.4147 -183224.3250 -148849.7353 300.4356 42.4711 72.3686 558639.8839 -12.2796 -12.5276 PRESSURE: 2287000 46.4215 -18.9823 -128.557 -18.982 49.2094 129.774 -128.557 129.775 114.503 GPRESSURE: 2287000 64.1492 2.19225 -153.586 -13.2609 135.672 173.948 -46.7012 -17.5294 108.929 PRESSAVG: 2287000 -5.76777 18.4995 -7.87639 18.4996 -58.7163 -3.6864 -7.8764 -3.68638 60.1516 GPRESSAVG: 2287000 -6.97441 19.2255 -8.66611 19.4595 -58.5097 -5.28378 -6.0051 -2.60153 60.7858 TIMING: 2287000 CPU: 6636, 0.00291102/step Wall: 6636, 0.00291102/step, 2.19377 hours remaining, 206.476562 MB of memory in use. ENERGY: 2287000 719.7900 2089.6972 1967.7880 106.6073 -206287.7381 17976.8870 0.0000 0.0000 34472.1709 -148954.7977 301.0540 -183426.9686 -148852.3559 299.6514 70.0448 102.9167 557906.8782 -1.4441 -1.5661 PRESSURE: 2287200 134.29 -163.065 -32.1798 -163.067 -79.2269 58.9547 -32.1792 58.9543 213.81 GPRESSURE: 2287200 135.453 -178.723 2.04967 -100.198 -49.724 19.2852 -80.2628 117.33 288.412 PRESSAVG: 2287200 0.376463 -43.9112 -5.75051 -43.9113 -11.0419 3.35191 -5.75049 3.35192 -0.995759 GPRESSAVG: 2287200 1.01047 -44.4951 -4.26382 -45.2578 -10.1041 3.40861 -6.83564 4.55101 -1.80256 TIMING: 2287200 CPU: 6636.59, 0.0029231/step Wall: 6636.59, 0.0029231/step, 2.20272 hours remaining, 206.476562 MB of memory in use. ENERGY: 2287200 723.1898 2047.9449 2004.7543 104.9929 -206111.2467 17893.6776 0.0000 0.0000 34202.9616 -149133.7256 298.7030 -183336.6872 -149028.1377 299.8708 89.6242 124.7137 556730.0521 -3.8871 -3.6321 PRESSURE: 2287400 -112.393 0.797179 52.7183 0.799014 -309.354 -49.8215 52.7178 -49.8214 -51.7516 GPRESSURE: 2287400 -110.328 63.0099 40.4089 30.0147 -277.815 -45.7202 81.736 -28.5904 27.6606 PRESSAVG: 2287400 47.1298 -10.9823 24.1306 -10.9823 -10.8828 23.7991 24.1305 23.7989 -3.20588 GPRESSAVG: 2287400 47.3682 -11.8053 23.6108 -8.83324 -12.731 23.997 22.7704 22.3628 -1.84223 TIMING: 2287400 CPU: 6637.17, 0.00292127/step Wall: 6637.17, 0.00292127/step, 2.20118 hours remaining, 206.476562 MB of memory in use. ENERGY: 2287400 745.5305 2096.9556 1983.8013 125.2869 -206211.3209 17708.3198 0.0000 0.0000 34368.7505 -149182.6762 300.1508 -183551.4267 -149083.8335 299.1494 -157.8329 -120.1608 556215.0362 11.0137 10.9317 PRESSURE: 2287600 -44.3095 -156.016 168.631 -156.015 -108.069 118.952 168.631 118.954 -368.884 GPRESSURE: 2287600 -83.244 -33.2729 242.875 -265.07 -49.6726 189.264 92.9517 125.623 -292.426 PRESSAVG: 2287600 20.2133 35.68 55.9328 35.68 13.1449 14.617 55.9329 14.6168 9.84093 GPRESSAVG: 2287600 20.698 37.6814 56.2133 33.1245 13.7128 14.4681 55.5785 15.4521 8.51767 TIMING: 2287600 CPU: 6637.75, 0.00290416/step Wall: 6637.75, 0.00290416/step, 2.18812 hours remaining, 206.476562 MB of memory in use. ENERGY: 2287600 705.2876 2023.0936 1948.8015 127.1347 -205632.8774 17431.7829 0.0000 0.0000 34240.7737 -149156.0033 299.0332 -183396.7771 -149051.6914 298.9090 -173.7540 -141.7809 558043.4699 14.3997 14.3095 PRESSURE: 2287800 -128.883 -18.6959 41.899 -18.6958 1.54339 -30.3419 41.8985 -30.3426 51.3275 GPRESSURE: 2287800 -118.903 -4.74632 12.7077 34.2105 68.8562 21.058 62.2129 -110.917 63.3128 PRESSAVG: 2287800 5.17438 2.91204 19.3902 2.912 -39.3411 -29.1343 19.3903 -29.1343 3.6471 GPRESSAVG: 2287800 4.44088 2.86733 19.4407 2.386 -38.3188 -28.4973 20.717 -29.8246 3.30966 TIMING: 2287800 CPU: 6638.33, 0.00290027/step Wall: 6638.33, 0.00290027/step, 2.18503 hours remaining, 206.476562 MB of memory in use. ENERGY: 2287800 734.1182 2056.6734 1976.6755 109.2501 -206349.5955 17825.9041 0.0000 0.0000 34422.0570 -149224.9171 300.6164 -183646.9741 -149124.1864 298.4856 -25.3375 4.4219 557131.3837 -10.1732 -10.1894 PRESSURE: 2288000 71.1962 -72.5722 -16.0094 -72.5714 41.5587 -143.23 -16.0095 -143.229 192.254 GPRESSURE: 2288000 131.324 -107.653 -77.9953 -99.0744 66.6345 -148.329 55.5077 -108.682 204.702 PRESSAVG: 2288000 50.8508 -0.830833 -24.4092 -0.830848 -0.933935 -18.3919 -24.4092 -18.3921 -73.4252 GPRESSAVG: 2288000 51.6595 -2.11774 -26.2062 1.00035 -2.16248 -18.9824 -24.6193 -17.6539 -72.8694 TIMING: 2288000 CPU: 6638.91, 0.00290438/step Wall: 6638.91, 0.00290438/step, 2.18797 hours remaining, 206.476562 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: 2288000 703.7444 2030.7591 1959.8202 99.4659 -206516.9393 18070.8705 0.0000 0.0000 34366.9396 -149285.3395 300.1350 -183652.2791 -149185.0241 299.6091 101.6698 134.2202 558360.0353 -7.8361 -7.7908 PRESSURE: 2288200 -47.4399 -145.581 -14.5365 -145.581 -169.32 -52.7284 -14.5357 -52.7264 -10.9269 GPRESSURE: 2288200 -4.8402 -155.608 -55.8323 -139.41 -107.901 -66.364 -14.2196 -103.376 -10.6486 PRESSAVG: 2288200 2.88055 -37.6743 47.754 -37.6743 14.1591 -10.5348 47.754 -10.5349 -35.337 GPRESSAVG: 2288200 3.47142 -39.2077 48.2223 -36.8668 14.0773 -11.5436 47.4631 -12.1642 -35.8544 TIMING: 2288200 CPU: 6639.49, 0.00289149/step Wall: 6639.49, 0.00289149/step, 2.17809 hours remaining, 206.476562 MB of memory in use. ENERGY: 2288200 786.1481 2031.8319 1952.0919 114.4286 -206008.9789 17692.6211 0.0000 0.0000 34054.2371 -149377.6201 297.4041 -183431.8572 -149280.3805 298.6180 -75.8957 -41.1298 558137.2834 -6.0991 -6.1019 LDB: ============= START OF LOAD BALANCING ============== 6642.96 LDB: ============== END OF LOAD BALANCING =============== 6642.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6642.96 LDB: ============= START OF LOAD BALANCING ============== 6643.25 LDB: Largest compute 4821 load 0.029805 is 25.3% of average load 0.117636 LDB: Average compute 0.001735 is 1.5% of average load 0.117636 LDB: TIME 6643.25 LOAD: AVG 0.117636 MAX 0.1788 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 6643.25 LOAD: AVG 0.117636 MAX 0.1788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: TIME 6643.25 LOAD: AVG 0.117636 MAX 0.1788 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6643.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6643.26 PRESSURE: 2288400 65.0602 -88.0381 164.876 -88.0378 6.11625 6.67914 164.875 6.67649 29.3213 GPRESSURE: 2288400 103.654 -102.754 100.136 -76.9155 5.82104 -8.93403 130.758 53.0092 88.015 PRESSAVG: 2288400 -19.3311 -15.5773 -27.4516 -15.5772 -8.94111 8.27092 -27.4516 8.27081 38.7042 GPRESSAVG: 2288400 -20.5035 -12.0546 -28.2031 -19.3298 -9.00954 8.34966 -27.3631 8.40054 39.9241 TIMING: 2288400 CPU: 6640.08, 0.00296768/step Wall: 6640.08, 0.00296768/step, 2.23532 hours remaining, 207.960938 MB of memory in use. ENERGY: 2288400 742.0461 2076.4867 1976.9922 120.5658 -206285.3868 17702.9205 0.0000 0.0000 34310.9709 -149355.4045 299.6462 -183666.3754 -149257.5339 298.1728 33.4992 65.8299 556075.4513 3.4773 3.4704 PRESSURE: 2288600 -27.958 -88.4481 -113.822 -88.4475 139.753 113.334 -113.821 113.334 110.933 GPRESSURE: 2288600 49.9562 -78.6322 -125.195 -21.2351 147.215 13.419 -39.2916 108.817 123.332 PRESSAVG: 2288600 -26.8665 -102.049 23.3028 -102.049 43.0864 20.0747 23.3028 20.0748 33.8254 GPRESSAVG: 2288600 -26.9883 -104.695 24.4316 -100.144 44.109 20.1306 22.5893 20.1468 32.7316 TIMING: 2288600 CPU: 6640.67, 0.00291757/step Wall: 6640.67, 0.00291757/step, 2.19741 hours remaining, 208.164062 MB of memory in use. ENERGY: 2288600 756.6494 2085.9317 1958.9652 108.1362 -206089.9750 17822.4787 0.0000 0.0000 34040.0137 -149317.8002 297.2799 -183357.8139 -149226.9553 298.8733 74.2426 106.8343 556896.7605 16.6818 16.6174 PRESSURE: 2288800 -11.7072 -42.1936 -192.936 -42.1941 125.364 18.5935 -192.937 18.5939 16.7562 GPRESSURE: 2288800 20.1861 -69.0969 -141.605 -64.2135 185.228 -20.0103 -238.117 42.9771 20.8769 PRESSAVG: 2288800 18.6934 -16.7104 -16.5792 -16.7105 24.6803 36.0098 -16.5793 36.0098 -31.5288 GPRESSAVG: 2288800 19.1604 -15.7649 -16.7177 -18.8432 24.8847 36.2402 -17.9464 35.4252 -31.6051 TIMING: 2288800 CPU: 6641.25, 0.00290503/step Wall: 6641.25, 0.00290503/step, 2.18781 hours remaining, 208.164062 MB of memory in use. ENERGY: 2288800 713.6042 2088.1936 1969.5926 112.9706 -206231.2753 17871.8354 0.0000 0.0000 34048.3925 -149426.6864 297.3531 -183475.0788 -149320.8428 298.2901 43.4712 75.4302 556609.9241 3.9483 4.1467 PRESSURE: 2289000 26.5587 20.1822 -84.7652 20.1822 -18.9333 -80.0396 -84.7644 -80.0402 54.9547 GPRESSURE: 2289000 37.3369 49.5043 -51.6469 -45.752 53.2797 -78.322 -79.0926 -126.847 64.9347 PRESSAVG: 2289000 17.9482 6.6022 31.8155 6.60219 -17.7258 25.4949 31.8155 25.4949 -21.8958 GPRESSAVG: 2289000 19.1329 6.90245 29.8228 7.47351 -18.5013 24.152 33.0782 26.1447 -22.6541 TIMING: 2289000 CPU: 6641.83, 0.00290639/step Wall: 6641.83, 0.00290639/step, 2.18867 hours remaining, 208.164062 MB of memory in use. ENERGY: 2289000 751.1394 2047.3264 1970.4857 116.3064 -206248.5774 17909.5727 0.0000 0.0000 34216.4063 -149237.3404 298.8204 -183453.7468 -149147.3947 298.7319 20.8600 51.8504 556530.8756 -7.2245 -7.3408 PRESSURE: 2289200 -56.3197 0.234173 189.058 0.233746 75.7931 39.4547 189.057 39.4556 -117.311 GPRESSURE: 2289200 -68.8945 -62.5012 138.443 55.4907 146.765 -15.1871 164.647 92.7434 -94.1595 PRESSAVG: 2289200 -0.470433 7.17588 -7.23682 7.17596 -0.964772 -7.8699 -7.23681 -7.86984 55.0127 GPRESSAVG: 2289200 -1.91394 7.14048 -7.86709 7.57618 0.0854318 -5.43082 -5.93125 -7.37905 55.6378 TIMING: 2289200 CPU: 6642.41, 0.00290836/step Wall: 6642.41, 0.00290836/step, 2.18999 hours remaining, 208.164062 MB of memory in use. ENERGY: 2289200 769.5805 2123.1764 1962.8810 112.0913 -205978.7406 17673.5761 0.0000 0.0000 34193.8979 -149143.5374 298.6238 -183337.4353 -149050.3423 298.8223 -32.6127 -5.4296 556631.9155 17.8592 17.9364 PRESSURE: 2289400 -61.9238 -4.26502 -41.6111 -4.26544 29.6027 -85.6245 -41.6106 -85.6241 -233.656 GPRESSURE: 2289400 -86.4157 -28.1328 28.5958 -27.8866 123.446 -68.2708 -2.70475 -149.647 -192.518 PRESSAVG: 2289400 -10.3893 -8.36574 22.9571 -8.36564 35.4748 -22.4531 22.9571 -22.4531 -25.5949 GPRESSAVG: 2289400 -9.34304 -7.8491 25.1022 -8.13596 34.378 -25.3989 21.4188 -19.8787 -25.8617 TIMING: 2289400 CPU: 6642.99, 0.00291294/step Wall: 6642.99, 0.00291294/step, 2.19328 hours remaining, 208.164062 MB of memory in use. ENERGY: 2289400 730.8027 2078.8775 1965.0697 108.5266 -205777.3517 17444.3035 0.0000 0.0000 34286.1171 -149163.6545 299.4292 -183449.7716 -149066.9243 299.2495 -88.6591 -51.8296 557424.9265 -0.1698 -0.2756 PRESSURE: 2289600 -81.385 -54.4947 24.8797 -54.4952 -123.474 -10.3405 24.8784 -10.3404 -155.181 GPRESSURE: 2289600 -47.9528 -41.7165 -54.3863 -100.026 -88.5183 84.3269 35.4136 -39.1167 -123.424 PRESSAVG: 2289600 -45.187 22.0601 -15.5805 22.0601 94.257 -36.2288 -15.5805 -36.2288 -25.6396 GPRESSAVG: 2289600 -45.0593 22.013 -14.4994 21.4545 94.4363 -35.0311 -16.2859 -39.7594 -26.2394 TIMING: 2289600 CPU: 6643.57, 0.0028853/step Wall: 6643.57, 0.0028853/step, 2.17231 hours remaining, 208.164062 MB of memory in use. ENERGY: 2289600 753.7014 2147.1735 1938.1867 98.4252 -206091.5677 17759.5676 0.0000 0.0000 34225.9250 -149168.5884 298.9035 -183394.5133 -149065.9358 300.7708 -120.0131 -86.6316 558283.2223 7.8102 7.7125 PRESSURE: 2289800 28.6687 136.142 33.2253 136.141 -132.531 62.0048 33.2265 62.0033 -170.029 GPRESSURE: 2289800 101.106 70.7673 50.0365 67.9949 -177.94 -92.3269 -58.7705 153.578 -102.224 PRESSAVG: 2289800 13.3718 -11.8056 -52.6008 -11.8055 31.4386 85.6785 -52.6008 85.6784 -37.5205 GPRESSAVG: 2289800 11.8532 -12.8974 -53.1186 -11.8568 32.6193 85.4505 -53.3611 85.0315 -37.2964 TIMING: 2289800 CPU: 6644.15, 0.00290688/step Wall: 6644.15, 0.00290688/step, 2.18839 hours remaining, 208.164062 MB of memory in use. ENERGY: 2289800 733.7834 2101.8333 1938.3767 110.7140 -205720.8964 17559.5281 0.0000 0.0000 34142.0113 -149134.6496 298.1707 -183276.6609 -149039.8984 299.9473 -91.2969 -59.6862 558223.3152 2.4300 2.3920 PRESSURE: 2290000 -106.457 117.149 160.351 117.15 -78.6913 46.357 160.35 46.3574 107.607 GPRESSURE: 2290000 -38.0793 83.4157 142.737 164.71 12.1154 -17.7183 176.257 -10.0132 52.2562 PRESSAVG: 2290000 -62.3412 18.332 3.24655 18.332 48.2984 5.47222 3.24645 5.47214 -2.02874 GPRESSAVG: 2290000 -61.5627 18.6678 1.67957 18.2812 47.6146 5.5008 5.20358 6.47368 -2.16211 TIMING: 2290000 CPU: 6644.73, 0.00290485/step Wall: 6644.73, 0.00290485/step, 2.18671 hours remaining, 208.242188 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: 2290000 749.7160 2146.9315 1969.7565 116.5869 -206090.2302 17688.0004 0.0000 0.0000 34239.7175 -149179.5214 299.0240 -183419.2389 -149084.3309 299.3230 -25.8472 8.7641 556651.1757 -5.3572 -5.3701 PRESSURE: 2290200 -105.196 -91.5404 -196.169 -91.5394 -68.6097 58.3539 -196.17 58.3542 12.2515 GPRESSURE: 2290200 -112.78 -38.8991 -302.909 -88.7575 -34.2313 2.86758 -140.338 60.1366 71.1651 PRESSAVG: 2290200 28.6222 16.2745 -20.049 16.2743 -22.6903 14.2454 -20.049 14.2453 -19.4235 GPRESSAVG: 2290200 29.2095 16.3455 -20.2068 17.8465 -22.6206 14.7547 -19.0069 13.2687 -19.8555 TIMING: 2290200 CPU: 6645.31, 0.00290353/step Wall: 6645.31, 0.00290353/step, 2.18555 hours remaining, 208.242188 MB of memory in use. ENERGY: 2290200 762.9938 2073.0817 1912.5044 113.9148 -206129.4296 17806.4599 0.0000 0.0000 34243.1088 -149217.3663 299.0536 -183460.4751 -149122.0321 299.4140 -53.8514 -25.2822 556487.6580 -4.4972 -4.4222 PRESSURE: 2290400 48.1105 -19.522 -291.151 -19.521 -102.973 -131.193 -291.151 -131.192 -90.5928 GPRESSURE: 2290400 61.2991 -6.24528 -383.56 5.32761 -3.61041 -145.943 -265.822 -128.561 -99.5103 PRESSAVG: 2290400 24.2109 14.1525 -35.1782 14.1526 46.1648 -10.5334 -35.1782 -10.5333 -10.9416 GPRESSAVG: 2290400 22.3346 14.4651 -36.5358 11.9705 46.5411 -11.1303 -36.4464 -10.6308 -9.58187 TIMING: 2290400 CPU: 6645.9, 0.00291665/step Wall: 6645.9, 0.00291665/step, 2.19526 hours remaining, 208.242188 MB of memory in use. ENERGY: 2290400 758.1410 2107.2834 1944.4593 112.2792 -205997.7370 17638.6246 0.0000 0.0000 34086.1171 -149350.8324 297.6825 -183436.9495 -149253.4833 299.1853 -48.4852 -13.9406 557019.5531 19.8114 19.7646 PRESSURE: 2290600 -28.2011 129.9 -43.15 129.9 131.891 -22.6759 -43.1498 -22.6771 -78.0052 GPRESSURE: 2290600 66.0929 183.614 30.3736 139.05 124.379 13.279 -41.7774 9.79423 -68.9694 PRESSAVG: 2290600 36.9019 36.7675 -27.1251 36.7674 41.767 7.04428 -27.125 7.04432 -66.1171 GPRESSAVG: 2290600 38.168 35.0327 -24.6216 38.5989 40.302 6.9031 -26.1837 8.50484 -66.462 TIMING: 2290600 CPU: 6646.48, 0.00292191/step Wall: 6646.48, 0.00292191/step, 2.19906 hours remaining, 208.242188 MB of memory in use. ENERGY: 2290600 734.4700 2138.2100 1927.4810 114.4970 -206251.6465 17758.2629 0.0000 0.0000 34306.5110 -149272.2147 299.6073 -183578.7257 -149180.5208 298.9255 8.5617 40.5008 556986.3492 4.1839 4.0027 PRESSURE: 2290800 94.0693 73.9373 208.065 73.9379 168.249 -106.015 208.065 -106.015 -45.5782 GPRESSURE: 2290800 56.1948 -25.2061 211.707 158.392 237.049 -91.6772 178.292 -63.9859 24.8472 PRESSAVG: 2290800 18.3568 -24.1418 -24.2529 -24.1418 0.674532 -1.25001 -24.253 -1.24996 -1.7487 GPRESSAVG: 2290800 17.962 -25.7624 -23.6853 -21.9208 0.712387 0.38547 -24.8522 -1.49593 -1.75824 TIMING: 2290800 CPU: 6647.06, 0.00290361/step Wall: 6647.06, 0.00290361/step, 2.18513 hours remaining, 208.242188 MB of memory in use. ENERGY: 2290800 746.4459 2141.6327 1931.5169 118.8862 -206218.7379 17864.2339 0.0000 0.0000 34251.0232 -149164.9989 299.1227 -183416.0222 -149067.3989 299.5830 72.2468 106.0302 557298.7893 5.7609 5.6387 PRESSURE: 2291000 -127.818 -33.7062 -36.736 -33.7069 75.5586 25.0884 -36.7355 25.0884 -101.004 GPRESSURE: 2291000 -145.854 -45.9021 -27.9622 -46.3947 103.375 23.9069 -45.9952 -65.69 -22.5225 PRESSAVG: 2291000 18.0027 7.04577 -26.9195 7.04574 2.11952 -63.2127 -26.9195 -63.2127 -43.0292 GPRESSAVG: 2291000 18.7677 9.77489 -29.4533 3.99657 1.50073 -63.7184 -25.2348 -66.0959 -43.8783 TIMING: 2291000 CPU: 6647.64, 0.00290388/step Wall: 6647.64, 0.00290388/step, 2.18517 hours remaining, 208.242188 MB of memory in use. ENERGY: 2291000 757.5761 2119.9893 1954.5702 122.6993 -206136.8639 17694.7375 0.0000 0.0000 34328.5826 -149158.7089 299.8001 -183487.2916 -149063.5526 299.2750 -51.0878 -21.6671 556557.0095 -7.6357 -7.8699 PRESSURE: 2291200 -97.6894 137.365 -151.423 137.365 -333.708 -122.578 -151.422 -122.579 171.092 GPRESSURE: 2291200 -64.243 175.859 -191.265 0.0704916 -271.103 -118.45 -38.7147 -135.937 155.263 PRESSAVG: 2291200 -9.825 -25.5271 -27.6125 -25.5271 32.8158 -11.7445 -27.6125 -11.7445 -7.27186 GPRESSAVG: 2291200 -10.9556 -26.2214 -27.8339 -24.8366 33.5494 -11.4237 -29.5182 -11.495 -7.18433 TIMING: 2291200 CPU: 6648.22, 0.00291015/step Wall: 6648.22, 0.00291015/step, 2.18973 hours remaining, 208.242188 MB of memory in use. ENERGY: 2291200 757.2692 2129.2426 1937.9943 112.2267 -206099.8954 17703.9603 0.0000 0.0000 34222.1238 -149237.0786 298.8703 -183459.2024 -149138.4870 298.7510 -86.7685 -60.0275 557032.4644 5.2396 5.1365 PRESSURE: 2291400 -161.454 -27.3628 23.3316 -27.364 139.791 -14.6402 23.3321 -14.6396 183.813 GPRESSURE: 2291400 -122.785 -61.9168 17.6988 45.0064 187.568 54.1478 27.5416 -74.3028 194.006 PRESSAVG: 2291400 -29.7762 -23.5171 -29.7574 -23.5172 -34.7665 -12.8607 -29.7575 -12.8607 21.6871 GPRESSAVG: 2291400 -29.5273 -23.4944 -26.6895 -23.3748 -35.487 -12.745 -30.1472 -12.59 22.5406 TIMING: 2291400 CPU: 6648.8, 0.00289247/step Wall: 6648.8, 0.00289247/step, 2.17626 hours remaining, 208.242188 MB of memory in use. ENERGY: 2291400 694.9418 2120.6717 1950.3791 118.9655 -206476.9271 17886.2289 0.0000 0.0000 34528.4699 -149177.2702 301.5457 -183705.7401 -149080.9539 299.9191 54.0498 86.2629 555462.2707 -14.2852 -14.1579 PRESSURE: 2291600 188.784 -17.7587 114.064 -17.7588 -54.1788 -225.286 114.065 -225.287 18.7712 GPRESSURE: 2291600 233.494 -44.6968 145.669 97.1917 -33.6254 -124.066 88.4402 -191.677 42.5626 PRESSAVG: 2291600 11.5663 -24.1086 50.7523 -24.1086 -60.0653 -26.7949 50.7523 -26.7948 53.9246 GPRESSAVG: 2291600 10.9602 -23.8057 49.6198 -23.3858 -58.5495 -25.687 52.3103 -28.0156 53.2302 TIMING: 2291600 CPU: 6649.38, 0.00288398/step Wall: 6649.38, 0.00288398/step, 2.16972 hours remaining, 208.242188 MB of memory in use. ENERGY: 2291600 755.4099 2119.7718 1949.5054 112.3913 -205983.5253 17725.9336 0.0000 0.0000 34246.4078 -149074.1054 299.0824 -183320.5132 -148971.9250 299.4829 51.1253 80.8105 555786.6286 1.8085 1.8803 PRESSURE: 2291800 -28.9057 -54.2006 72.059 -54.2012 -89.4791 6.90278 72.058 6.90207 -59.1306 GPRESSURE: 2291800 -23.0425 -108.864 -7.95152 36.6453 -70.5881 36.3965 56.5496 -54.4756 16.6232 PRESSAVG: 2291800 -73.7247 15.8597 16.0633 15.8596 -46.3061 -48.2638 16.0634 -48.2637 92.5473 GPRESSAVG: 2291800 -73.2064 15.6794 13.9656 14.6789 -47.6282 -49.3048 17.1941 -47.1724 93.0015 TIMING: 2291800 CPU: 6649.96, 0.00289386/step Wall: 6649.96, 0.00289386/step, 2.17698 hours remaining, 208.367188 MB of memory in use. ENERGY: 2291800 717.8555 2105.4746 1979.4153 108.6118 -206000.8580 17746.7390 0.0000 0.0000 34184.8903 -149157.8714 298.5451 -183342.7617 -149060.1163 299.7487 -59.1718 -25.6691 557949.7702 -9.1611 -9.2777 PRESSURE: 2292000 113.017 -117.229 37.2222 -117.228 -264.458 153.978 37.221 153.978 85.9855 GPRESSURE: 2292000 127.498 -106.633 146.876 -86.1252 -166.022 152.108 -18.9792 136.377 89.5708 PRESSAVG: 2292000 -2.36089 -3.36626 34.9624 -3.36624 5.74691 -0.264709 34.9624 -0.264781 24.4716 GPRESSAVG: 2292000 -2.84241 -2.61134 35.7059 -4.31568 6.48252 -0.867498 32.7567 0.910411 24.161 TIMING: 2292000 CPU: 6650.54, 0.00291796/step Wall: 6650.54, 0.00291796/step, 2.19495 hours remaining, 208.367188 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: 2292000 738.8103 2087.0296 1948.2721 116.1730 -205914.9003 17589.7963 0.0000 0.0000 34211.2480 -149223.5710 298.7753 -183434.8191 -149128.4366 299.8041 -21.8184 17.0158 555936.4042 9.2859 9.2670 PRESSURE: 2292200 190.002 -197.712 34.6587 -197.711 -12.6228 30.662 34.659 30.6628 -104.56 GPRESSURE: 2292200 174.923 -247.061 90.9895 -207.869 50.595 -18.2042 -11.604 85.8864 -46.0355 PRESSAVG: 2292200 -18.2977 -2.02642 -12.3111 -2.0264 -58.192 52.1283 -12.3111 52.1283 60.75 GPRESSAVG: 2292200 -18.8675 -4.20056 -11.3559 -1.17573 -58.6559 53.0861 -11.7201 50.1938 61.6366 TIMING: 2292200 CPU: 6651.12, 0.00290357/step Wall: 6651.12, 0.00290358/step, 2.18397 hours remaining, 208.367188 MB of memory in use. ENERGY: 2292200 716.4485 2095.6548 1960.6805 104.1055 -206147.3839 17835.0656 0.0000 0.0000 34177.8676 -149257.5615 298.4838 -183435.4291 -149162.5155 299.1158 24.2731 59.8275 556742.0625 -5.2466 -5.2956 LDB: ============= START OF LOAD BALANCING ============== 6654.59 LDB: ============== END OF LOAD BALANCING =============== 6654.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6654.59 LDB: ============= START OF LOAD BALANCING ============== 6654.88 LDB: Largest compute 4820 load 0.029460 is 25.0% of average load 0.117651 LDB: Average compute 0.001737 is 1.5% of average load 0.117651 LDB: TIME 6654.88 LOAD: AVG 0.117651 MAX 0.178149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.68 MB LDB: TIME 6654.88 LOAD: AVG 0.117651 MAX 0.178149 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: TIME 6654.88 LOAD: AVG 0.117651 MAX 0.178149 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6654.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6654.89 PRESSURE: 2292400 -36.1032 18.4278 -78.1364 18.4276 97.3682 161.205 -78.1363 161.207 -139.119 GPRESSURE: 2292400 -63.1378 68.7625 -14.6054 -48.3398 171.047 176 -145.965 92.5637 -93.4442 PRESSAVG: 2292400 29.806 -1.23971 -4.34112 -1.23971 -33.0384 44.3684 -4.34108 44.3684 -7.97762 GPRESSAVG: 2292400 29.213 -0.472671 -6.09372 -1.00231 -31.716 44.8845 -3.59611 44.4501 -8.76144 TIMING: 2292400 CPU: 6651.71, 0.00294354/step Wall: 6651.71, 0.00294354/step, 2.21387 hours remaining, 207.277344 MB of memory in use. ENERGY: 2292400 744.6378 2127.3588 1953.6187 108.0633 -206272.2485 17878.6079 0.0000 0.0000 34212.5521 -149247.4100 298.7867 -183459.9620 -149155.8877 299.3159 -25.9513 4.8215 557891.3461 -3.7367 -3.7548 PRESSURE: 2292600 86.1163 34.7982 -1.26218 34.7991 25.1415 -167.385 -1.26127 -167.386 88.3759 GPRESSURE: 2292600 128.746 20.5335 51.3963 124.896 16.8202 -91.7049 -101.299 -94.3677 157.417 PRESSAVG: 2292600 -5.16201 8.32856 -42.9338 8.32862 6.30562 -14.0397 -42.9339 -14.0397 1.99908 GPRESSAVG: 2292600 -3.77762 9.25713 -40.0732 8.29986 5.56583 -14.0384 -46.346 -11.8119 1.40435 TIMING: 2292600 CPU: 6652.29, 0.00288486/step Wall: 6652.29, 0.00288486/step, 2.16958 hours remaining, 207.453125 MB of memory in use. ENERGY: 2292600 747.9168 2084.1608 1980.3061 104.9778 -206383.8108 18006.3617 0.0000 0.0000 34350.3630 -149109.7245 299.9903 -183460.0875 -149018.0792 299.2909 66.5446 100.9946 558709.4455 1.0476 1.0642 PRESSURE: 2292800 -172.104 8.69249 -40.0391 8.69325 -210.287 -223.389 -40.0379 -223.39 187.957 GPRESSURE: 2292800 -120.058 -38.8777 60.3754 64.4344 -202.915 -346.083 -87.9083 -145.357 227.446 PRESSAVG: 2292800 -11.2255 2.3633 -23.4121 2.36334 -21.7892 -34.0513 -23.412 -34.0513 66.332 GPRESSAVG: 2292800 -10.6681 2.86193 -24.9605 2.09379 -22.5176 -36.9371 -21.2636 -33.6877 66.3166 TIMING: 2292800 CPU: 6652.87, 0.00289889/step Wall: 6652.87, 0.00289889/step, 2.17997 hours remaining, 207.453125 MB of memory in use. ENERGY: 2292800 719.6413 2108.1682 1969.0590 116.9151 -206221.0129 17709.4256 0.0000 0.0000 34294.0696 -149303.7342 299.4986 -183597.8038 -149207.4079 298.6797 -64.8112 -31.8423 557399.0374 11.1058 11.0437 PRESSURE: 2293000 3.3788 -91.6315 -30.2665 -91.6323 319.924 87.6932 -30.267 87.6918 100.083 GPRESSURE: 2293000 -6.34261 -100.56 -48.454 -26.7742 359.733 132.956 -24.4851 40.1473 160.436 PRESSAVG: 2293000 12.6116 -0.356014 3.67004 -0.356001 -51.3334 5.19248 3.67008 5.19255 32.0521 GPRESSAVG: 2293000 12.0308 -0.876093 3.74108 1.38803 -52.1068 5.86866 3.47273 3.73452 33.038 TIMING: 2293000 CPU: 6653.45, 0.00288635/step Wall: 6653.45, 0.00288635/step, 2.17038 hours remaining, 207.453125 MB of memory in use. ENERGY: 2293000 726.6399 2089.0449 1957.1127 110.3279 -206367.9007 18054.6006 0.0000 0.0000 34047.7943 -149382.3804 297.3479 -183430.1747 -149277.4186 298.6108 141.1285 171.2756 556198.0985 -2.2232 -2.3460 PRESSURE: 2293200 -66.0313 117.44 -74.9524 117.439 -188.991 -13.6999 -74.9534 -13.701 16.2541 GPRESSURE: 2293200 -29.5876 93.3384 -31.8349 122.677 -118.161 -36.2824 -88.8904 32.2806 10.2041 PRESSAVG: 2293200 35.0884 61.2365 -47.6954 61.2365 7.41137 31.0496 -47.6954 31.0496 9.8201 GPRESSAVG: 2293200 34.8557 62.8533 -47.4393 59.2412 7.9174 30.4518 -47.7477 30.9091 9.56108 TIMING: 2293200 CPU: 6654.02, 0.00288222/step Wall: 6654.02, 0.00288222/step, 2.16711 hours remaining, 207.453125 MB of memory in use. ENERGY: 2293200 752.2347 2035.7947 1956.3964 108.0278 -206111.1049 17773.9815 0.0000 0.0000 34266.5429 -149218.1268 299.2582 -183484.6697 -149126.1353 298.8639 -79.5893 -45.8482 557980.8732 17.4400 17.4447 PRESSURE: 2293400 -258.408 37.9734 -38.2205 37.9735 -14.1334 -285.943 -38.2198 -285.942 16.7459 GPRESSURE: 2293400 -203.895 -1.33356 -68.1994 111.86 -2.7556 -241.45 4.44624 -270.149 53.7614 PRESSAVG: 2293400 3.17778 12.7376 -19.415 12.7376 -56.4873 -59.7091 -19.415 -59.709 40.3225 GPRESSAVG: 2293400 4.18306 10.8363 -20.5967 13.8964 -56.7744 -58.3914 -19.2113 -60.5242 40.1003 TIMING: 2293400 CPU: 6654.6, 0.00288703/step Wall: 6654.6, 0.00288703/step, 2.17057 hours remaining, 207.453125 MB of memory in use. ENERGY: 2293400 718.9145 2048.5183 1958.7076 108.7927 -206209.5271 17754.4294 0.0000 0.0000 34358.7856 -149261.3792 300.0638 -183620.1647 -149167.7908 299.2034 -85.2652 -50.9632 557207.5772 -4.3290 -4.1637 PRESSURE: 2293600 -70.8595 -38.2 -4.69992 -38.1981 -135.32 91.7637 -4.6988 91.7646 -110.451 GPRESSURE: 2293600 6.77438 18.5362 16.4463 11.1186 -91.9125 95.4726 -7.55631 42.9597 -127.936 PRESSAVG: 2293600 38.4655 -8.55018 -0.851181 -8.55018 -14.6027 -18.3402 -0.851025 -18.3402 -64.4607 GPRESSAVG: 2293600 38.4093 -8.33691 -1.93933 -6.79606 -15.3637 -19.2376 0.0566213 -15.9293 -63.5727 TIMING: 2293600 CPU: 6655.18, 0.00290511/step Wall: 6655.18, 0.00290511/step, 2.184 hours remaining, 207.453125 MB of memory in use. ENERGY: 2293600 753.4821 2096.4609 1963.0617 107.3364 -206089.9220 17662.6008 0.0000 0.0000 34145.4619 -149361.5181 298.2008 -183506.9800 -149274.6772 298.9217 -105.5438 -71.0247 557238.6634 -13.5327 -13.5091 PRESSURE: 2293800 31.3447 20.3659 -72.4271 20.3661 -93.6857 37.6122 -72.4272 37.6121 58.8191 GPRESSURE: 2293800 40.5317 2.99581 -90.613 43.3303 -64.3735 76.7916 -69.5773 -7.6343 119.556 PRESSAVG: 2293800 -38.5901 47.766 -0.586178 47.766 35.9844 -12.5274 -0.58624 -12.5273 40.7799 GPRESSAVG: 2293800 -39.5954 48.2006 1.92357 46.2756 36.8571 -10.5155 -0.256366 -14.3513 40.7275 TIMING: 2293800 CPU: 6655.76, 0.00289961/step Wall: 6655.76, 0.00289961/step, 2.1797 hours remaining, 207.453125 MB of memory in use. ENERGY: 2293800 726.2300 2039.6932 1980.2520 106.3017 -206110.4579 17658.5761 0.0000 0.0000 34345.7487 -149253.6562 299.9500 -183599.4048 -149153.8731 299.1644 -1.1740 31.9047 556696.2306 12.7248 12.6631 PRESSURE: 2294000 -220.277 75.2223 38.2786 75.2212 -111.458 78.0616 38.2784 78.0615 -81.4582 GPRESSURE: 2294000 -212.446 116.755 -4.43269 -9.1484 -65.6594 124.538 90.1073 31.5593 -28.093 PRESSAVG: 2294000 -75.4712 48.8706 -11.7123 48.8705 20.9405 23.7888 -11.7123 23.7888 105.249 GPRESSAVG: 2294000 -75.8655 46.9572 -12.0799 48.3725 20.6595 23.954 -13.8 23.7667 105.973 TIMING: 2294000 CPU: 6656.34, 0.0029187/step Wall: 6656.34, 0.0029187/step, 2.19389 hours remaining, 207.453125 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: 2294000 740.2440 2056.3461 1962.7373 99.9932 -205873.9359 17513.6102 0.0000 0.0000 34369.5742 -149131.4308 300.1580 -183501.0050 -149040.6407 299.6321 -137.7309 -102.0660 557857.2535 16.9061 16.9224 PRESSURE: 2294200 -133.956 33.2009 -6.85398 33.2023 -10.995 65.9368 -6.85309 65.9369 -478.208 GPRESSURE: 2294200 -92.2358 81.9462 59.9124 -9.97053 -50.7141 5.34719 -18.4429 166.073 -386.246 PRESSAVG: 2294200 45.433 59.8872 41.2621 59.8871 -53.7044 30.1727 41.262 30.1728 -9.81077 GPRESSAVG: 2294200 47.7901 60.1826 41.5527 60.1809 -54.5399 29.3565 41.8307 30.5708 -11.1742 TIMING: 2294200 CPU: 6656.93, 0.0029112/step Wall: 6656.93, 0.0029112/step, 2.18809 hours remaining, 207.687500 MB of memory in use. ENERGY: 2294200 748.3876 2146.6031 1924.6418 133.9178 -205963.4434 17560.2321 0.0000 0.0000 34478.9739 -148970.6870 301.1135 -183449.6609 -148874.4169 299.7467 -207.7197 -176.3987 559773.5533 -6.0274 -5.9747 PRESSURE: 2294400 18.3986 75.1504 113.894 75.1509 26.127 -149.437 113.893 -149.438 -242.769 GPRESSURE: 2294400 48.6391 101.791 80.2141 55.7635 18.3354 -96.7144 63.5439 -252.906 -170.744 PRESSAVG: 2294400 25.6868 31.08 -47.3551 31.08 39.6941 14.3118 -47.3551 14.3118 -30.1774 GPRESSAVG: 2294400 23.5171 30.6227 -47.8157 34.282 40.2661 13.4466 -48.9462 13.6968 -29.0268 TIMING: 2294400 CPU: 6657.51, 0.0029027/step Wall: 6657.51, 0.0029027/step, 2.18154 hours remaining, 207.687500 MB of memory in use. ENERGY: 2294400 701.8597 2152.9402 1947.9027 113.6053 -206000.3380 17632.1201 0.0000 0.0000 34364.4627 -149087.4473 300.1134 -183451.9100 -148989.8861 300.5191 -66.0812 -34.5899 558495.8828 11.7345 11.5855 PRESSURE: 2294600 -49.3089 46.5526 -192.583 46.5533 39.5209 -36.3782 -192.584 -36.3789 -99.4752 GPRESSURE: 2294600 29.1857 8.52646 -173.614 -14.2986 90.64 -29.7121 -154.217 9.41356 -116.462 PRESSAVG: 2294600 1.2422 54.4438 11.2461 54.4438 -20.2652 14.6478 11.2462 14.6478 32.4491 GPRESSAVG: 2294600 2.13517 56.0822 10.4918 50.8636 -21.0044 15.687 12.6805 15.1803 32.241 TIMING: 2294600 CPU: 6658.08, 0.00288938/step Wall: 6658.08, 0.00288938/step, 2.17137 hours remaining, 207.687500 MB of memory in use. ENERGY: 2294600 787.9731 2083.3401 1975.2720 125.4949 -206233.6960 17851.1140 0.0000 0.0000 34281.9046 -149128.5973 299.3924 -183410.5019 -149027.7888 300.0559 -36.4210 1.1212 557363.3234 4.4754 4.4573 PRESSURE: 2294800 -241.269 115.806 -24.8337 115.807 -53.9987 185.115 -24.8338 185.115 60.6244 GPRESSURE: 2294800 -222.827 103.102 16.6993 115.949 -26.2606 118.226 -39.6831 204.153 113.725 PRESSAVG: 2294800 1.84603 26.8429 -4.04704 26.8428 40.9066 14.0942 -4.04701 14.0943 -15.8774 GPRESSAVG: 2294800 -0.0957917 26.997 -3.59036 28.1283 42.5204 12.6975 -4.68744 12.9772 -16.5602 TIMING: 2294800 CPU: 6658.66, 0.00289852/step Wall: 6658.66, 0.00289852/step, 2.17808 hours remaining, 207.687500 MB of memory in use. ENERGY: 2294800 755.1904 2086.2154 1949.4262 127.1893 -206121.0848 17723.7781 0.0000 0.0000 34321.4185 -149157.8669 299.7375 -183479.2854 -149063.5765 299.9271 -78.2145 -45.1207 557542.1421 8.9584 8.6215 PRESSURE: 2295000 -170.833 -24.1549 -58.2434 -24.1545 11.6611 37.3657 -58.2441 37.3661 123.027 GPRESSURE: 2295000 -154.543 -10.4583 12.1743 -65.5013 94.7652 106.33 -96.6472 -77.3735 106.913 PRESSAVG: 2295000 10.561 38.3939 -33.1515 38.3939 -19.0638 21.6654 -33.1516 21.6654 6.27912 GPRESSAVG: 2295000 11.7933 38.3135 -34.4295 37.54 -19.918 23.0397 -32.9114 22.781 6.0836 TIMING: 2295000 CPU: 6659.25, 0.00290788/step Wall: 6659.25, 0.00290788/step, 2.18495 hours remaining, 207.687500 MB of memory in use. ENERGY: 2295000 761.3703 2059.5664 1985.7098 96.8311 -205818.6986 17598.7920 0.0000 0.0000 34146.0934 -149170.3356 298.2063 -183316.4290 -149077.0191 299.5915 -12.0485 15.7117 556247.0031 -0.7413 -0.6803 PRESSURE: 2295200 -86.9436 4.20914 90.2621 4.20923 -42.426 -70.113 90.262 -70.1129 -171.709 GPRESSURE: 2295200 -51.6292 40.2597 142.687 -9.74095 -26.1531 -29.1373 64.7842 -111.839 -122.706 PRESSAVG: 2295200 -24.1715 27.8403 -45.6966 27.8402 3.19662 12.2708 -45.6966 12.2708 15.8084 GPRESSAVG: 2295200 -24.1569 26.0767 -45.6473 28.8551 2.90197 11.5906 -44.2034 11.7679 15.7507 TIMING: 2295200 CPU: 6659.83, 0.0029038/step Wall: 6659.83, 0.0029038/step, 2.18172 hours remaining, 207.687500 MB of memory in use. ENERGY: 2295200 747.8403 2024.6277 1952.8255 123.0565 -205991.9048 17625.8510 0.0000 0.0000 34342.1662 -149175.5376 299.9187 -183517.7038 -149073.6386 298.9196 -100.3595 -66.8294 558265.7279 -1.7221 -1.8347 PRESSURE: 2295400 244.49 -144.96 -19.8692 -144.96 -6.06227 13.4097 -19.8694 13.4095 464.058 GPRESSURE: 2295400 272.632 -152.903 -64.6642 -100.011 68.1822 17.3978 -0.636553 9.77751 449.268 PRESSAVG: 2295400 31.6544 -55.1494 -57.3661 -55.1495 0.68687 9.6201 -57.366 9.62012 -14.6434 GPRESSAVG: 2295400 30.9685 -54.9021 -56.7371 -56.6006 0.248014 9.98026 -57.6716 9.15222 -13.7654 TIMING: 2295400 CPU: 6660.4, 0.00287044/step Wall: 6660.4, 0.00287044/step, 2.1565 hours remaining, 207.687500 MB of memory in use. ENERGY: 2295400 743.7387 2105.5105 1943.2875 122.6866 -206248.4827 18057.4259 0.0000 0.0000 34150.0492 -149125.7843 298.2409 -183275.8336 -149037.1298 299.3314 234.1621 263.3607 557150.3452 5.8993 5.8170 PRESSURE: 2295600 -15.1587 3.22125 -35.4884 3.22042 -31.5083 205.379 -35.4879 205.378 -157.355 GPRESSURE: 2295600 -39.7994 -78.6423 32.775 34.6946 16.0497 306.762 -48.4439 143.877 -75.7118 PRESSAVG: 2295600 27.6169 7.72114 -13.9197 7.72116 5.61755 -69.5284 -13.9196 -69.5284 24.4286 GPRESSAVG: 2295600 25.6586 7.99764 -14.481 7.68644 5.73018 -70.6315 -13.0178 -69.9017 25.8175 TIMING: 2295600 CPU: 6660.98, 0.00289056/step Wall: 6660.98, 0.00289056/step, 2.17146 hours remaining, 207.687500 MB of memory in use. ENERGY: 2295600 770.4963 2076.0741 1959.6992 106.0258 -206127.7409 17844.4474 0.0000 0.0000 34184.8482 -149186.1498 298.5448 -183370.9980 -149089.0248 299.7869 -68.0072 -33.1538 558822.7676 19.2210 19.0687 PRESSURE: 2295800 -328.403 -61.4083 -23.662 -61.4089 61.397 0.275283 -23.6618 0.27546 -77.4491 GPRESSURE: 2295800 -232.369 -6.84299 -39.9489 -106.336 74.4158 -70.0502 -54.7691 9.55865 -92.4667 PRESSAVG: 2295800 -29.0398 -40.7269 -54.8999 -40.7269 69.2344 83.487 -54.8999 83.4869 -6.5305 GPRESSAVG: 2295800 -27.9211 -41.8726 -55.3263 -39.9278 69.4006 85.0105 -55.0349 85.4125 -7.66591 TIMING: 2295800 CPU: 6661.55, 0.00287526/step Wall: 6661.55, 0.00287526/step, 2.1598 hours remaining, 207.687500 MB of memory in use. ENERGY: 2295800 741.6456 2111.3982 1968.7388 122.2155 -206063.4308 17696.8921 0.0000 0.0000 34324.6657 -149097.8749 299.7658 -183422.5406 -149002.4080 299.9329 -114.8184 -83.4733 557979.4092 11.2214 11.2712 PRESSURE: 2296000 39.1398 -78.6946 -78.8939 -78.6941 -2.93493 146.609 -78.8948 146.609 139.488 GPRESSURE: 2296000 97.2301 -50.4403 -166.781 -141.64 -2.20158 75.2322 -37.7104 139.212 167.77 PRESSAVG: 2296000 56.1083 -48.386 38.6678 -48.3861 -25.1103 18.0897 38.6678 18.0898 -9.62428 GPRESSAVG: 2296000 56.4869 -47.3503 39.1286 -48.6572 -26.0744 18.0242 39.4918 16.0419 -9.18459 TIMING: 2296000 CPU: 6662.13, 0.00289408/step Wall: 6662.13, 0.00289408/step, 2.17378 hours remaining, 207.687500 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: 2296000 777.1504 2100.9604 1946.1046 104.8643 -206296.2062 17941.7892 0.0000 0.0000 34393.1091 -149032.2282 300.3636 -183425.3373 -148935.2570 300.0734 58.5642 87.5995 557387.9911 7.1246 7.0760 PRESSURE: 2296200 128.617 -87.3341 -78.4486 -87.3345 -324.114 46.7727 -78.4486 46.7717 -216.648 GPRESSURE: 2296200 128.98 -122.31 -152.231 11.5144 -262.843 17.891 -89.5333 -16.8065 -178.56 PRESSAVG: 2296200 16.0142 -65.1651 103.048 -65.1651 -60.8701 53.8426 103.048 53.8425 20.279 GPRESSAVG: 2296200 15.5749 -65.5139 103.735 -63.58 -59.3199 53.1895 102.183 53.6702 19.6627 TIMING: 2296200 CPU: 6662.71, 0.00287726/step Wall: 6662.71, 0.00287726/step, 2.16098 hours remaining, 207.687500 MB of memory in use. ENERGY: 2296200 726.3296 2085.2377 1952.3131 124.1350 -205528.3688 17392.3935 0.0000 0.0000 34070.5394 -149177.4205 297.5465 -183247.9599 -149070.5668 299.9409 -137.3818 -104.1410 558890.2559 -8.1923 -8.0274 LDB: ============= START OF LOAD BALANCING ============== 6666.17 LDB: ============== END OF LOAD BALANCING =============== 6666.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6666.17 LDB: ============= START OF LOAD BALANCING ============== 6666.46 LDB: Largest compute 4821 load 0.029532 is 25.0% of average load 0.117919 LDB: Average compute 0.001734 is 1.5% of average load 0.117919 LDB: TIME 6666.47 LOAD: AVG 0.117919 MAX 0.179304 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.895 MB LDB: TIME 6666.47 LOAD: AVG 0.117919 MAX 0.179304 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: TIME 6666.47 LOAD: AVG 0.117919 MAX 0.179304 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.137 MB LDB: ============== END OF LOAD BALANCING =============== 6666.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6666.47 PRESSURE: 2296400 -144.37 -165.514 -34.0169 -165.513 -49.4269 1.97465 -34.0179 1.97476 -36.6219 GPRESSURE: 2296400 -200.91 -172.827 11.7926 -107.418 -11.7463 -61.9066 -40.2109 -30.5074 80.7254 PRESSAVG: 2296400 36.5443 -59.5913 -36.7169 -59.5912 -79.718 -13.0621 -36.7168 -13.062 19.9219 GPRESSAVG: 2296400 36.1265 -59.4974 -35.9618 -61.2059 -79.6016 -14.5164 -37.3493 -12.5577 20.1435 TIMING: 2296400 CPU: 6663.3, 0.00294526/step Wall: 6663.3, 0.00294525/step, 2.21189 hours remaining, 205.613281 MB of memory in use. ENERGY: 2296400 746.5110 2146.8020 1960.7537 122.7897 -205815.2343 17612.5694 0.0000 0.0000 34038.2297 -149187.5788 297.2643 -183225.8084 -149098.3574 299.0662 -76.8062 -43.9770 558065.8966 -7.7506 -7.7772 PRESSURE: 2296600 -64.259 -76.1659 -74.2335 -76.1681 -8.37293 -126.575 -74.2344 -126.575 209.327 GPRESSURE: 2296600 40.9528 -46.2749 -63.1714 -158.562 -26.284 -98.7228 -23.0649 -244.451 200.312 PRESSAVG: 2296600 23.6699 -25.0295 35.9695 -25.0295 -18.2889 7.60552 35.9694 7.60546 -11.5943 GPRESSAVG: 2296600 24.2775 -25.3942 38.1232 -24.5967 -18.4292 6.77982 36.4299 9.14811 -12.1432 TIMING: 2296600 CPU: 6663.88, 0.00291646/step Wall: 6663.88, 0.00291646/step, 2.1901 hours remaining, 205.613281 MB of memory in use. ENERGY: 2296600 713.4388 2069.0808 1963.3481 130.4829 -205934.3151 17828.0884 0.0000 0.0000 34098.1660 -149131.7102 297.7878 -183229.8761 -149033.7869 299.2550 45.5650 71.6604 558092.1669 -2.0711 -2.0983 PRESSURE: 2296800 238.807 -76.5136 51.3647 -76.5136 367.746 -96.0284 51.3646 -96.027 -248.564 GPRESSURE: 2296800 249.663 -6.68896 100.459 -120.069 420.422 -94.7074 19.4422 -26.3184 -230.849 PRESSAVG: 2296800 16.0385 -39.614 24.5887 -39.6139 41.352 -25.7641 24.5887 -25.7641 -32.8102 GPRESSAVG: 2296800 15.5141 -40.0011 22.9846 -41.4291 40.6126 -25.4566 24.2515 -25.3881 -32.0039 TIMING: 2296800 CPU: 6664.46, 0.00289714/step Wall: 6664.46, 0.00289714/step, 2.17543 hours remaining, 205.613281 MB of memory in use. ENERGY: 2296800 748.2907 2122.8369 1938.7009 119.1149 -206365.1140 18032.1682 0.0000 0.0000 34213.3506 -149190.6519 298.7937 -183404.0025 -149095.3847 299.1259 119.3295 146.4121 557527.3005 8.1934 8.0409 PRESSURE: 2297000 7.68953 -112.695 145.568 -112.696 -58.3265 72.5101 145.567 72.51 -29.8952 GPRESSURE: 2297000 41.4285 -149.425 56.2659 -80.7846 -48.4407 93.9287 170.223 73.2879 25.5463 PRESSAVG: 2297000 48.2497 -23.438 87.1672 -23.438 76.8591 -24.7934 87.1672 -24.7934 -91.6053 GPRESSAVG: 2297000 48.0929 -20.8561 85.2183 -23.891 77.1352 -23.8588 88.2323 -25.3963 -91.8147 TIMING: 2297000 CPU: 6665.04, 0.00289399/step Wall: 6665.04, 0.00289399/step, 2.1729 hours remaining, 205.613281 MB of memory in use. ENERGY: 2297000 752.4452 2089.9626 1932.6392 107.9858 -206110.8179 17833.8480 0.0000 0.0000 34120.5874 -149273.3497 297.9836 -183393.9371 -149178.4733 298.8826 -26.8441 6.1780 557640.8748 11.1678 11.1378 PRESSURE: 2297200 185.151 -210.775 33.3866 -210.775 302.354 -41.744 33.3858 -41.7447 -48.2867 GPRESSURE: 2297200 230.252 -138.44 65.6665 -164.281 310.829 -83.3767 33.9927 5.3473 -3.6106 PRESSAVG: 2297200 -13.6268 -11.3512 32.0238 -11.3513 35.4476 -5.24583 32.0237 -5.2459 -30.9413 GPRESSAVG: 2297200 -13.3139 -13.21 33.3845 -11.726 35.5253 -4.47764 31.7821 -4.6007 -31.8848 TIMING: 2297200 CPU: 6665.62, 0.00290332/step Wall: 6665.62, 0.00290332/step, 2.17975 hours remaining, 205.613281 MB of memory in use. ENERGY: 2297200 720.8859 2071.0702 1947.0189 128.4008 -206340.2310 17866.2456 0.0000 0.0000 34233.4807 -149373.1288 298.9695 -183606.6096 -149274.7312 299.0699 146.4060 179.1567 557612.7624 -3.0402 -3.2244 PRESSURE: 2297400 -24.1714 -146.673 -210.986 -146.674 -129.494 -20.3153 -210.986 -20.314 20.4598 GPRESSURE: 2297400 38.5939 -169.095 -187.328 -160.265 -90.62 -14.3881 -184.881 -49.2241 19.7717 PRESSAVG: 2297400 -18.0271 -5.35445 14.6768 -5.35448 47.0182 -82.7434 14.6767 -82.7433 -37.8532 GPRESSAVG: 2297400 -18.3014 -5.43899 16.3116 -2.96063 46.6631 -82.6256 14.4127 -82.9382 -37.5948 TIMING: 2297400 CPU: 6666.2, 0.00288361/step Wall: 6666.2, 0.00288361/step, 2.16479 hours remaining, 205.613281 MB of memory in use. ENERGY: 2297400 743.7572 2147.2331 1957.8566 117.7507 -206354.6787 17712.0433 0.0000 0.0000 34229.6656 -149446.3722 298.9362 -183676.0378 -149357.7298 298.2875 -44.4017 -10.7514 556468.7956 -2.9540 -3.0777 PRESSURE: 2297600 -166.484 -100.816 -99.8973 -100.814 147.243 139.624 -99.8991 139.623 -168.887 GPRESSURE: 2297600 -67.871 -123.676 -81.6298 -62.8747 137.498 117.041 -27.1836 142.827 -150.585 PRESSAVG: 2297600 -17.7402 -3.22751 -33.2803 -3.22756 42.1939 -5.37556 -33.2803 -5.3755 -6.99716 GPRESSAVG: 2297600 -17.6826 -3.21278 -33.2563 -5.01598 40.9775 -5.66598 -34.1354 -5.83156 -5.22936 TIMING: 2297600 CPU: 6666.78, 0.00289873/step Wall: 6666.78, 0.00289873/step, 2.17598 hours remaining, 205.613281 MB of memory in use. ENERGY: 2297600 744.7393 2063.0972 1953.7703 97.2262 -205933.5953 17459.6084 0.0000 0.0000 34179.2187 -149435.9353 298.4956 -183615.1540 -149340.9025 298.8612 -62.7095 -26.9859 555693.7862 5.8189 6.0218 PRESSURE: 2297800 -135.92 48.1292 171.53 48.1284 -45.2659 -70.7676 171.529 -70.7684 26.3942 GPRESSURE: 2297800 -185.348 46.8986 101.576 15.117 54.0993 -27.8405 127.049 -18.0599 79.1851 PRESSAVG: 2297800 -26.6443 -4.65453 21.5812 -4.65449 0.744547 -34.4608 21.5812 -34.4608 -2.39711 GPRESSAVG: 2297800 -26.9796 -4.73748 20.8063 -2.60201 2.0651 -35.317 21.7327 -35.8263 -3.65213 TIMING: 2297800 CPU: 6667.36, 0.00290283/step Wall: 6667.36, 0.00290283/step, 2.1789 hours remaining, 205.613281 MB of memory in use. ENERGY: 2297800 756.6729 2100.4423 1977.5012 102.5194 -206312.8751 17746.0459 0.0000 0.0000 34200.9682 -149428.7252 298.6856 -183629.6935 -149331.8873 299.0381 -51.5974 -17.3544 556930.6526 -9.4323 -9.5222 PRESSURE: 2298000 -154.288 208.593 13.6692 208.593 130.755 -134.434 13.6695 -134.433 -74.0546 GPRESSURE: 2298000 -106.279 121.461 -70.1485 232.855 143.06 17.0809 94.6774 -110.524 -49.5152 PRESSAVG: 2298000 -64.9113 20.4161 25.0658 20.4162 68.065 -36.5984 25.0659 -36.5984 8.76308 GPRESSAVG: 2298000 -64.6805 21.3722 23.9407 20.6666 67.6481 -37.7152 25.9401 -34.61 8.33426 TIMING: 2298000 CPU: 6667.94, 0.00290685/step Wall: 6667.94, 0.00290685/step, 2.18175 hours remaining, 205.613281 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: 2298000 744.8855 2113.1967 1987.8187 105.9878 -206153.1032 17755.0665 0.0000 0.0000 33997.5072 -149448.6409 296.9087 -183446.1481 -149356.6424 298.7322 -32.5292 -4.2445 556550.2419 3.9723 3.7673 PRESSURE: 2298200 80.3596 -72.4919 -59.2093 -72.491 53.3218 -82.3327 -59.2097 -82.3336 172.414 GPRESSURE: 2298200 129.656 -35.4877 -42.9194 -85.9215 60.542 -152.149 -36.0274 -13.9941 215.832 PRESSAVG: 2298200 51.6375 -5.1711 -43.1461 -5.17103 52.8509 -61.5099 -43.1462 -61.5098 -105.398 GPRESSAVG: 2298200 51.0175 -5.82778 -42.0044 -6.98962 52.7163 -59.4348 -41.1254 -61.5873 -104.482 TIMING: 2298200 CPU: 6668.52, 0.00290331/step Wall: 6668.52, 0.00290331/step, 2.17894 hours remaining, 205.613281 MB of memory in use. ENERGY: 2298200 710.5313 2094.2452 1934.1883 121.4334 -206637.6975 18064.0306 0.0000 0.0000 34453.4602 -149259.8085 300.8906 -183713.2687 -149166.5782 299.5579 102.0317 135.3434 556458.2643 -0.3033 -0.2493 PRESSURE: 2298400 -25.7583 -45.5647 6.94734 -45.5651 -108.102 -89.76 6.94716 -89.7598 135.808 GPRESSURE: 2298400 -1.26186 -23.69 -52.3319 -110.724 -59.4306 -59.2553 44.3725 -131.106 154.001 PRESSAVG: 2298400 2.10827 -1.95461 38.3478 -1.95461 47.6129 -38.444 38.3478 -38.4439 -57.2941 GPRESSAVG: 2298400 3.05713 -0.968286 37.1158 -1.52161 47.2135 -39.1752 38.6599 -38.8701 -57.8103 TIMING: 2298400 CPU: 6669.1, 0.00288865/step Wall: 6669.1, 0.00288865/step, 2.16777 hours remaining, 205.613281 MB of memory in use. ENERGY: 2298400 657.5711 2149.8732 1944.4625 124.5778 -205991.9266 17441.7884 0.0000 0.0000 34392.4306 -149281.2230 300.3577 -183673.6536 -149182.8339 299.4938 0.6494 31.1029 555309.4756 -2.5243 -2.5132 PRESSURE: 2298600 -57.8018 86.4232 -52.1753 86.4234 362.567 -58.516 -52.1755 -58.5153 112.94 GPRESSURE: 2298600 -3.23796 31.0004 -20.8226 144.515 385.923 -69.4851 -176.201 -26.8033 132.362 PRESSAVG: 2298600 -31.8669 13.7048 22.9995 13.7047 34.98 -6.84467 22.9996 -6.84469 -31.1366 GPRESSAVG: 2298600 -31.2639 12.0876 24.0004 15.2816 34.6844 -5.34396 20.0678 -7.12826 -31.8576 TIMING: 2298600 CPU: 6669.68, 0.00290634/step Wall: 6669.68, 0.00290634/step, 2.18088 hours remaining, 205.613281 MB of memory in use. ENERGY: 2298600 756.5207 2102.0458 1960.2527 121.3397 -206488.6365 17876.9665 0.0000 0.0000 34310.5840 -149360.9271 299.6429 -183671.5111 -149256.3177 299.4603 139.2353 171.6824 555452.4006 -9.3412 -9.4790 PRESSURE: 2298800 50.7281 20.3331 -74.7652 20.3327 -115.871 115.226 -74.7658 115.228 -89.6424 GPRESSURE: 2298800 93.4992 22.6673 -103.921 77.953 -69.9277 49.1161 -104.948 129.42 -71.6416 PRESSAVG: 2298800 43.8022 21.6773 -19.5827 21.6773 18.4366 -30.719 -19.5828 -30.719 -49.4921 GPRESSAVG: 2298800 43.474 20.8661 -20.4679 22.2378 18.4398 -30.8222 -20.3358 -31.7518 -48.9867 TIMING: 2298800 CPU: 6670.26, 0.00291624/step Wall: 6670.26, 0.00291624/step, 2.18815 hours remaining, 205.613281 MB of memory in use. ENERGY: 2298800 740.7411 2090.2978 1936.0495 110.2622 -206367.0767 17814.4014 0.0000 0.0000 34242.2342 -149433.0906 299.0459 -183675.3247 -149331.5067 298.4423 -51.5952 -16.0234 555585.0739 4.2489 4.3090 PRESSURE: 2299000 -62.3941 32.6194 -19.5214 32.6191 -354.156 136.877 -19.5214 136.876 -33.846 GPRESSURE: 2299000 -45.4177 84.9904 -7.46191 -57.0072 -326.6 90.2903 -102.362 170.924 4.014 PRESSAVG: 2299000 64.4954 -13.9092 -5.6427 -13.9093 -61.9682 11.0167 -5.64283 11.0167 0.179011 GPRESSAVG: 2299000 64.4214 -10.9264 -3.25589 -14.7302 -61.5713 8.39137 -5.68749 13.245 -0.243615 TIMING: 2299000 CPU: 6670.84, 0.00291469/step Wall: 6670.84, 0.00291469/step, 2.18683 hours remaining, 205.613281 MB of memory in use. ENERGY: 2299000 757.2706 2116.5736 1960.9480 118.2039 -206322.7793 17558.1600 0.0000 0.0000 34336.8432 -149474.7799 299.8722 -183811.6231 -149363.0668 298.2662 -150.1321 -122.6679 557793.8591 0.9021 0.8688 PRESSURE: 2299200 -342.143 160.309 48.0283 160.31 -190.013 90.0615 48.0278 90.0606 -253.46 GPRESSURE: 2299200 -273.784 219.824 61.456 192.035 -209.078 67.7704 -9.10612 110.07 -211.504 PRESSAVG: 2299200 49.9891 26.1915 4.67516 26.1915 -46.1519 63.8773 4.67514 63.8774 -48.4024 GPRESSAVG: 2299200 51.334 27.3987 5.13357 24.1293 -48.2542 64.9581 3.19438 62.7741 -47.9769 TIMING: 2299200 CPU: 6671.42, 0.00289798/step Wall: 6671.42, 0.00289798/step, 2.17413 hours remaining, 205.816406 MB of memory in use. ENERGY: 2299200 745.4679 2171.6995 1946.7158 117.4053 -206366.2872 17566.6657 0.0000 0.0000 34168.7555 -149649.5775 298.4042 -183818.3330 -149555.5733 298.5865 -261.8723 -231.4554 557546.0964 -14.8551 -14.9657 PRESSURE: 2299400 -8.12249 53.9022 28.5845 53.903 191.564 25.0711 28.5832 25.0708 148.601 GPRESSURE: 2299400 45.2336 26.2015 21.13 116.381 182.075 53.9354 56.2006 -54.5747 194.887 PRESSAVG: 2299400 -17.3456 -4.20971 14.0501 -4.20974 -10.7668 -3.74929 14.0501 -3.74945 32.6719 GPRESSAVG: 2299400 -18.6896 -5.67932 12.3163 -1.24976 -8.59246 -3.44499 16.185 -3.4227 31.9994 TIMING: 2299400 CPU: 6672.01, 0.00292006/step Wall: 6672.01, 0.00292006/step, 2.19053 hours remaining, 205.816406 MB of memory in use. ENERGY: 2299400 736.6765 2131.9140 1981.7912 120.2215 -206940.8464 18072.5900 0.0000 0.0000 34357.0704 -149540.5829 300.0488 -183897.6533 -149433.6322 299.2189 110.6808 140.7318 554836.6134 1.5198 1.5724 PRESSURE: 2299600 50.6326 -167.745 -100.602 -167.745 -402.169 -8.80001 -100.602 -8.79851 -102.378 GPRESSURE: 2299600 41.8251 -164.136 -61.8812 -197.305 -351.555 -26.1691 -61.2199 -54.5641 -50.2825 PRESSAVG: 2299600 -0.680768 -40.7087 -16.378 -40.7086 -27.0716 -43.5237 -16.378 -43.5237 15.3799 GPRESSAVG: 2299600 -0.61604 -39.5499 -16.2865 -42.8959 -26.9542 -43.1659 -17.4612 -43.0522 15.7276 TIMING: 2299600 CPU: 6672.59, 0.00289919/step Wall: 6672.59, 0.00289919/step, 2.17471 hours remaining, 205.816406 MB of memory in use. ENERGY: 2299600 754.8206 2090.9176 1968.6872 116.5283 -206246.0338 17513.7860 0.0000 0.0000 34235.8897 -149565.4044 298.9905 -183801.2941 -149469.2755 299.0162 -151.3046 -120.0041 556378.3337 -4.1242 -3.9476 PRESSURE: 2299800 75.0295 -74.1946 52.6101 -74.1954 6.24012 126.022 52.6103 126.02 -227.329 GPRESSURE: 2299800 98.7156 -75.9715 60.3625 -79.5897 83.2712 92.9673 49.0667 142.512 -212.303 PRESSAVG: 2299800 34.3978 10.6619 12.4602 10.662 -37.5085 63.1196 12.4602 63.1195 -4.49742 GPRESSAVG: 2299800 34.2557 9.47976 13.6274 10.5739 -37.3078 62.4102 12.678 64.1201 -4.0234 TIMING: 2299800 CPU: 6673.17, 0.00289143/step Wall: 6673.17, 0.00289143/step, 2.16873 hours remaining, 205.816406 MB of memory in use. ENERGY: 2299800 718.7154 2108.4355 1953.1754 103.8139 -206369.0788 17796.1376 0.0000 0.0000 34257.4019 -149431.3991 299.1784 -183688.8010 -149336.0336 298.5363 -48.6865 -10.1053 556884.9118 -2.5360 -2.3585 PRESSURE: 2300000 -323.003 36.8525 52.4542 36.8509 -11.8581 33.422 52.4545 33.4215 -63.2848 GPRESSURE: 2300000 -285.222 18.0883 105.129 29.2949 -17.7662 87.067 78.7832 23.4506 -3.11734 PRESSAVG: 2300000 10.1824 14.7075 59.672 14.7076 2.40195 26.5313 59.672 26.5312 -3.28893 GPRESSAVG: 2300000 11.6113 14.0895 63.4044 16.2462 1.87592 25.2254 59.2554 25.3129 -4.13573 TIMING: 2300000 CPU: 6673.75, 0.00291347/step Wall: 6673.75, 0.00291347/step, 2.1851 hours remaining, 205.816406 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: 2300000 732.0083 2046.0941 1984.1762 115.3559 -206035.3317 17783.9551 0.0000 0.0000 34032.6671 -149341.0750 297.2157 -183373.7421 -149240.1888 298.4641 -132.7153 -102.0353 557971.9273 3.0985 3.1171 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300200 50.3042 9.06976 180.11 9.06936 -115.488 -9.73596 180.109 -9.73768 -321.134 GPRESSURE: 2300200 81.054 -59.9806 111.049 -33.354 -86.9448 -40.3523 145.654 -27.8432 -296.15 PRESSAVG: 2300200 -3.54303 44.3795 83.1423 44.3795 -44.7512 -24.8152 83.1424 -24.8152 9.89436 GPRESSAVG: 2300200 -3.42417 43.9038 78.8061 43.7261 -44.0735 -22.3885 82.7677 -24.5178 8.76492 TIMING: 2300200 CPU: 6674.34, 0.00296/step Wall: 6674.34, 0.00296/step, 2.21984 hours remaining, 205.816406 MB of memory in use. ENERGY: 2300200 761.3487 2093.1840 1928.6960 114.3102 -206067.3964 17731.9556 0.0000 0.0000 34296.2253 -149141.6765 299.5175 -183437.9018 -149043.4478 299.0887 -128.7724 -100.6803 557873.6025 -12.8000 -12.9109 LDB: ============= START OF LOAD BALANCING ============== 6677.81 LDB: ============== END OF LOAD BALANCING =============== 6677.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6677.81 LDB: ============= START OF LOAD BALANCING ============== 6678.1 LDB: Largest compute 4821 load 0.029370 is 24.9% of average load 0.117742 LDB: Average compute 0.001727 is 1.5% of average load 0.117742 LDB: TIME 6678.1 LOAD: AVG 0.117742 MAX 0.178062 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.617 MB LDB: TIME 6678.1 LOAD: AVG 0.117742 MAX 0.178062 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: TIME 6678.1 LOAD: AVG 0.117742 MAX 0.178062 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: ============== END OF LOAD BALANCING =============== 6678.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6678.11 PRESSURE: 2300400 44.0797 -161.477 81.1234 -161.476 -36.5908 -182.35 81.1243 -182.349 53.1623 GPRESSURE: 2300400 59.3633 -149.43 94.6238 -109.734 -3.74961 -263.012 119.402 -130.287 90.5839 PRESSAVG: 2300400 40.3396 19.6038 2.00693 19.6038 15.4348 -28.6005 2.00702 -28.6005 -8.16891 GPRESSAVG: 2300400 38.2899 19.4467 1.94755 19.7227 15.4711 -29.2643 4.32489 -28.2843 -6.35515 TIMING: 2300400 CPU: 6674.93, 0.00296461/step Wall: 6674.93, 0.00296461/step, 2.22313 hours remaining, 205.585938 MB of memory in use. ENERGY: 2300400 760.1384 2065.8548 1968.0867 109.1648 -206182.4750 17864.2142 0.0000 0.0000 34464.3971 -148950.6191 300.9862 -183415.0161 -148863.9654 300.2584 20.2170 48.7325 557489.5270 15.8685 15.8020 PRESSURE: 2300600 49.9216 -93.0663 13.25 -93.0675 -171.741 5.20747 13.2499 5.2073 -204.579 GPRESSURE: 2300600 52.2447 -83.0222 36.771 -79.1689 -147.601 22.3452 57.1762 15.1775 -126.024 PRESSAVG: 2300600 13.963 -10.6771 25.5339 -10.6772 8.13314 -92.5658 25.5338 -92.566 -22.2926 GPRESSAVG: 2300600 14.4567 -10.1421 29.5127 -10.9699 8.28339 -92.2393 23.7297 -93.4152 -23.4014 TIMING: 2300600 CPU: 6675.51, 0.00287888/step Wall: 6675.51, 0.00287888/step, 2.15868 hours remaining, 205.656250 MB of memory in use. ENERGY: 2300600 760.8176 2078.8730 1965.7673 119.0295 -206211.0875 17749.9554 0.0000 0.0000 34384.0834 -149152.5613 300.2848 -183536.6446 -149054.8372 299.6079 -108.7993 -73.7933 558403.7157 -0.0655 -0.2204 PRESSURE: 2300800 -124.124 93.3098 -0.988249 93.31 227.506 97.1499 -0.989357 97.152 56.2852 GPRESSURE: 2300800 -56.6819 84.8357 -127.8 170.595 233.056 71.9472 74.9558 48.5247 73.9511 PRESSAVG: 2300800 -40.1787 16.2506 1.26168 16.2505 3.68362 -16.9069 1.26166 -16.9069 20.0695 GPRESSAVG: 2300800 -38.5536 17.8453 -0.300633 15.9134 2.22411 -16.008 0.79582 -18.0088 20.5154 TIMING: 2300800 CPU: 6676.09, 0.00288165/step Wall: 6676.09, 0.00288165/step, 2.16059 hours remaining, 205.656250 MB of memory in use. ENERGY: 2300800 706.7046 2085.0037 1974.3235 120.6077 -206046.4312 17862.3916 0.0000 0.0000 34341.4747 -148955.9257 299.9126 -183297.4003 -148864.4458 299.4328 53.2224 83.4419 557047.5721 -5.4752 -5.2714 PRESSURE: 2301000 70.7 17.3815 51.2642 17.3814 111.566 -63.4674 51.2639 -63.4682 5.52076 GPRESSURE: 2301000 51.7412 45.8272 -37.1853 34.0718 163.976 -185.092 42.4101 21.061 70.5322 PRESSAVG: 2301000 -4.04757 15.3727 -39.5441 15.3727 15.792 5.62247 -39.5442 5.62253 19.6028 GPRESSAVG: 2301000 -5.77845 13.7403 -40.7311 14.3933 16.8229 4.3769 -38.0884 5.9248 20.2282 TIMING: 2301000 CPU: 6676.66, 0.00288762/step Wall: 6676.66, 0.00288762/step, 2.16491 hours remaining, 205.656250 MB of memory in use. ENERGY: 2301000 762.5620 2047.2166 1967.9078 124.1896 -205829.7125 17725.0932 0.0000 0.0000 34376.6957 -148826.0476 300.2202 -183202.7433 -148729.3781 300.5067 62.5957 95.4164 556959.0474 10.4491 10.4242 PRESSURE: 2301200 -66.0415 -66.4878 29.7707 -66.4878 223.475 -25.5767 29.7706 -25.5771 349.273 GPRESSURE: 2301200 -71.601 -62.6646 31.0564 -36.2151 303.085 -27.8809 72.2334 -33.8988 334.8 PRESSAVG: 2301200 -39.1797 -50.6864 59.2385 -50.6864 -17.5133 -12.1124 59.2384 -12.1124 27.8656 GPRESSAVG: 2301200 -37.5364 -51.6584 61.0997 -47.6543 -17.1522 -11.1025 58.0999 -12.9369 26.263 TIMING: 2301200 CPU: 6677.24, 0.00290187/step Wall: 6677.24, 0.00290187/step, 2.17544 hours remaining, 205.656250 MB of memory in use. ENERGY: 2301200 711.1376 2075.9712 1951.9072 104.0771 -206023.3721 17842.8462 0.0000 0.0000 34500.4417 -148836.9911 301.3009 -183337.4328 -148742.3252 300.3262 168.9020 188.7614 557406.0814 -9.6092 -9.4752 PRESSURE: 2301400 -75.2177 -65.9826 -82.8537 -65.9824 -189.475 -6.62529 -82.8538 -6.62679 -78.7193 GPRESSURE: 2301400 -35.6876 -56.7974 -76.67 -58.9939 -183.543 -18.8462 -89.9583 -10.086 -6.58119 PRESSAVG: 2301400 -69.5816 -25.7408 17.8797 -25.7409 19.1583 36.4418 17.8797 36.4416 61.6662 GPRESSAVG: 2301400 -72.2575 -24.8702 17.8444 -27.3931 18.5401 38.3595 17.6786 37.2525 64.2756 TIMING: 2301400 CPU: 6677.83, 0.00291355/step Wall: 6677.83, 0.00291355/step, 2.18403 hours remaining, 205.656250 MB of memory in use. ENERGY: 2301400 732.6276 2087.3015 1956.4821 103.5188 -205709.1367 17615.6244 0.0000 0.0000 34216.5358 -148997.0467 298.8215 -183213.5824 -148900.3446 299.8602 -114.4706 -75.2705 559024.9457 3.7477 3.5194 PRESSURE: 2301600 -135.375 -178.679 -42.4005 -178.68 -67.4731 32.7981 -42.4014 32.7982 10.8093 GPRESSURE: 2301600 -49.8347 -259.422 -34.0293 -92.439 -106.194 -17.5341 -60.0461 14.3779 58.3411 PRESSAVG: 2301600 -15.1798 -94.6161 7.60416 -94.6161 11.1735 42.8203 7.6043 42.8203 3.20918 GPRESSAVG: 2301600 -13.2633 -94.0561 6.36564 -95.0735 11.7416 40.003 10.5672 44.8759 0.612758 TIMING: 2301600 CPU: 6678.41, 0.00290092/step Wall: 6678.41, 0.00290092/step, 2.1744 hours remaining, 205.656250 MB of memory in use. ENERGY: 2301600 738.8977 2102.3394 1945.9797 104.0819 -206046.0415 17842.7530 0.0000 0.0000 34450.8245 -148861.1654 300.8676 -183311.9899 -148765.4557 299.7936 -64.0129 -32.5627 558927.3490 -0.2657 -0.3030 PRESSURE: 2301800 18.1371 28.3347 -37.0621 28.3362 -319.985 85.4471 -37.0599 85.4468 232.372 GPRESSURE: 2301800 101.715 -29.7601 30.8765 7.0627 -263.047 39.5216 8.08958 127.802 197.614 PRESSAVG: 2301800 -33.151 -54.8672 -54.7749 -54.8672 -52.8464 20.3492 -54.7749 20.3492 108.775 GPRESSAVG: 2301800 -32.8 -54.6005 -54.4021 -54.5824 -53.4181 19.452 -55.4219 18.7115 109.476 TIMING: 2301800 CPU: 6678.98, 0.00288909/step Wall: 6678.98, 0.00288909/step, 2.16537 hours remaining, 205.656250 MB of memory in use. ENERGY: 2301800 732.2036 2027.1789 1961.3738 112.9001 -205971.4399 17886.1540 0.0000 0.0000 34209.6508 -149041.9787 298.7614 -183251.6295 -148945.6572 299.3232 -23.1585 12.0942 560299.1675 7.5925 7.7527 PRESSURE: 2302000 -106.25 -46.1086 116.038 -46.1067 -5.69132 302.06 116.037 302.059 125.185 GPRESSURE: 2302000 -58.2901 -30.1093 112.987 -129.76 48.6041 301.741 131.355 244.204 137.236 PRESSAVG: 2302000 55.8743 44.4022 43.097 44.4022 -97.6005 56.4368 43.0969 56.4368 20.8826 GPRESSAVG: 2302000 54.16 42.2657 42.612 43.6348 -97.2495 55.9202 42.1351 56.8034 22.5059 TIMING: 2302000 CPU: 6679.56, 0.00289745/step Wall: 6679.56, 0.00289745/step, 2.17148 hours remaining, 205.656250 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: 2302000 725.7653 2047.0974 1957.8837 115.1556 -205741.0920 17654.2057 0.0000 0.0000 34399.3153 -148841.6691 300.4178 -183240.9844 -148749.1408 299.5986 4.4145 42.5167 558373.6519 -6.9479 -6.8612 PRESSURE: 2302200 173.108 -28.5977 46.9644 -28.5975 96.6233 32.3935 46.964 32.3909 294.844 GPRESSURE: 2302200 158.966 -52.7357 33.3883 -27.5229 163.73 69.624 15.8143 50.9489 343.802 PRESSAVG: 2302200 67.9644 -68.0116 -8.75706 -68.0116 -78.7248 -9.85314 -8.75712 -9.85309 -27.7023 GPRESSAVG: 2302200 68.2154 -66.5093 -10.9276 -67.4718 -77.6993 -7.08693 -6.59793 -10.2592 -29.5948 TIMING: 2302200 CPU: 6680.15, 0.00290825/step Wall: 6680.15, 0.00290825/step, 2.17941 hours remaining, 205.656250 MB of memory in use. ENERGY: 2302200 759.7388 2074.6998 1968.0576 124.6916 -206610.1750 18161.4858 0.0000 0.0000 34419.6996 -149101.8018 300.5958 -183521.5014 -149008.0811 299.6477 188.1917 222.1661 556605.5932 -12.8209 -13.0262 PRESSURE: 2302400 -29.9015 -91.0489 -8.62926 -91.0491 -163.965 -120.295 -8.62893 -120.293 -259.784 GPRESSURE: 2302400 10.5585 -99.082 -52.6025 -96.495 -164.022 -53.7901 9.19377 -22.4511 -216.813 PRESSAVG: 2302400 -22.5845 -11.5384 -21.5257 -11.5384 -10.4539 -39.7538 -21.5257 -39.7538 25.5943 GPRESSAVG: 2302400 -22.6087 -12.6389 -20.9194 -10.9342 -11.0157 -40.8831 -22.18 -38.1694 26.3379 TIMING: 2302400 CPU: 6680.72, 0.00287989/step Wall: 6680.72, 0.00287989/step, 2.158 hours remaining, 205.656250 MB of memory in use. ENERGY: 2302400 767.0247 2021.8244 1974.8864 111.2822 -206139.6134 17595.4469 0.0000 0.0000 34367.5224 -149301.6266 300.1401 -183669.1490 -149201.6127 299.0965 -151.2169 -123.4256 556735.0791 -2.4813 -2.4288 PRESSURE: 2302600 -27.7245 -149.513 -270.912 -149.515 -58.2801 17.2429 -270.912 17.2424 -31.7636 GPRESSURE: 2302600 57.5451 -253.036 -286.191 -107.414 -90.9266 37.6791 -225.028 40.967 5.70426 PRESSAVG: 2302600 40.2037 -66.3376 4.95191 -66.3376 -37.923 -61.4684 4.9519 -61.4683 13.453 GPRESSAVG: 2302600 39.2307 -65.4485 5.18077 -66.8593 -37.9843 -59.0632 5.90266 -64.1279 14.5646 TIMING: 2302600 CPU: 6681.3, 0.00289041/step Wall: 6681.3, 0.00289041/step, 2.16572 hours remaining, 205.656250 MB of memory in use. ENERGY: 2302600 725.3035 2103.9847 1976.4900 97.8562 -206363.1490 17786.3117 0.0000 0.0000 34365.8533 -149307.3497 300.1255 -183673.2030 -149210.1564 299.1154 -39.2560 -9.2258 556201.7847 5.2446 5.2703 PRESSURE: 2302800 259.364 -0.610874 -49.6184 -0.611647 -275.352 -85.4532 -49.6199 -85.4536 157.37 GPRESSURE: 2302800 230.474 22.2638 -42.2921 -79.7706 -231.047 -49.8348 -28.8837 -79.7537 234.524 PRESSAVG: 2302800 -49.6341 13.356 -39.8472 13.356 -65.1152 13.1678 -39.8472 13.1678 61.7272 GPRESSAVG: 2302800 -48.8678 12.7987 -38.9857 13.2934 -65.4928 9.73652 -39.6597 16.3929 61.3098 TIMING: 2302800 CPU: 6681.88, 0.0028998/step Wall: 6681.88, 0.0028998/step, 2.17259 hours remaining, 205.656250 MB of memory in use. ENERGY: 2302800 709.9659 2080.5114 1949.3706 115.7747 -206202.3125 17768.2988 0.0000 0.0000 34071.3026 -149507.0886 297.5532 -183578.3912 -149412.6960 298.5253 47.1275 77.9837 556313.5293 -17.6740 -17.6836 PRESSURE: 2303000 14.8377 65.221 -72.869 65.2205 -202.913 173.475 -72.8694 173.473 -90.2337 GPRESSURE: 2303000 53.0045 65.6919 -30.5399 0.383081 -144.244 191.392 -77.6603 172.997 -102.367 PRESSAVG: 2303000 45.9629 13.454 -5.17231 13.454 -73.2049 48.7888 -5.17226 48.7887 -17.8051 GPRESSAVG: 2303000 46.008 14.2136 -5.80308 12.3202 -73.8461 50.9489 -6.14049 44.7233 -17.1112 TIMING: 2303000 CPU: 6682.46, 0.00290521/step Wall: 6682.46, 0.00290521/step, 2.17649 hours remaining, 205.656250 MB of memory in use. ENERGY: 2303000 697.2637 2083.6498 1962.0687 122.7185 -206098.4968 17656.0299 0.0000 0.0000 34003.4343 -149573.3319 296.9604 -183576.7662 -149475.2573 297.5296 -92.7695 -64.5356 557512.5465 -15.0157 -14.9831 PRESSURE: 2303200 -144.613 107.244 -60.5089 107.243 22.3977 38.58 -60.5094 38.5785 105.329 GPRESSURE: 2303200 -68.2117 168.43 -94.7204 135.549 14.8899 42.0438 -138.391 62.778 119.587 PRESSAVG: 2303200 7.32803 34.0604 7.54934 34.0604 -54.3999 55.4422 7.5494 55.4422 74.062 GPRESSAVG: 2303200 8.40033 32.4073 8.58217 35.8152 -52.6972 54.1305 6.82522 58.2709 71.4466 TIMING: 2303200 CPU: 6683.04, 0.00290683/step Wall: 6683.04, 0.00290683/step, 2.17754 hours remaining, 205.656250 MB of memory in use. ENERGY: 2303200 741.5451 2040.6736 1939.8322 131.1160 -206245.2699 17792.4937 0.0000 0.0000 34108.1928 -149491.4165 297.8753 -183599.6093 -149398.8544 298.0730 -5.6286 22.0884 557113.2741 8.9967 9.0499 PRESSURE: 2303400 31.4723 -91.5968 98.2587 -91.596 -6.77231 21.8196 98.2592 21.819 -329.78 GPRESSURE: 2303400 21.9248 -142.299 147.132 -6.17275 16.1339 152.977 112.638 7.94733 -252.534 PRESSAVG: 2303400 0.585423 4.72034 15.8924 4.72038 88.4184 25.9514 15.8924 25.9514 -44.1261 GPRESSAVG: 2303400 -1.78693 7.81587 16.3486 3.44874 87.9386 27.8227 15.8564 23.0232 -42.1901 TIMING: 2303400 CPU: 6683.62, 0.00288657/step Wall: 6683.62, 0.00288657/step, 2.1622 hours remaining, 205.656250 MB of memory in use. ENERGY: 2303400 748.4816 2102.0108 1935.5462 111.3154 -206267.4105 17688.2330 0.0000 0.0000 34344.0910 -149337.7324 299.9355 -183681.8234 -149244.0606 298.4251 -101.6932 -71.4916 556218.9947 14.9592 14.6539 PRESSURE: 2303600 -191.329 155.851 -12.6841 155.851 268.403 57.8991 -12.6844 57.9 -350.122 GPRESSURE: 2303600 -187.205 98.0726 -76.2206 113.083 276.287 21.565 7.52355 69.4687 -256.677 PRESSAVG: 2303600 -4.91544 -13.9653 4.46166 -13.9653 17.2944 54.3563 4.46164 54.3564 -11.9451 GPRESSAVG: 2303600 -4.94978 -15.3907 3.51678 -13.6251 17.3644 52.6246 4.20259 56.1965 -11.3788 TIMING: 2303600 CPU: 6684.19, 0.00288092/step Wall: 6684.19, 0.00288092/step, 2.15781 hours remaining, 205.656250 MB of memory in use. ENERGY: 2303600 802.0511 2096.0150 1927.6090 107.6895 -206166.8434 17692.0091 0.0000 0.0000 34090.2185 -149451.2512 297.7184 -183541.4697 -149358.7956 299.2550 -91.0160 -55.8647 556166.5846 0.1446 0.3453 PRESSURE: 2303800 -121.507 -16.6577 -83.6856 -16.6579 186.131 109.073 -83.6859 109.074 -120.894 GPRESSURE: 2303800 -14.7723 10.1875 -124.129 -67.6644 200.937 142.432 -54.5634 103.757 -158.102 PRESSAVG: 2303800 -17.4586 37.423 17.6873 37.423 38.4199 49.2959 17.6872 49.2958 -32.2004 GPRESSAVG: 2303800 -14.4619 38.7266 19.236 36.1591 37.2316 48.7597 17.8665 51.3977 -34.1145 TIMING: 2303800 CPU: 6684.77, 0.00288237/step Wall: 6684.77, 0.00288237/step, 2.15873 hours remaining, 205.656250 MB of memory in use. ENERGY: 2303800 722.0702 2084.7556 1939.8862 108.7755 -206334.7769 17673.3508 0.0000 0.0000 34151.3133 -149654.6254 298.2519 -183805.9387 -149559.8664 298.0855 -18.7567 9.3544 556062.6335 -3.7464 -3.7816 PRESSURE: 2304000 -16.1657 112.194 -110.495 112.194 -103.904 125.231 -110.494 125.233 -214.267 GPRESSURE: 2304000 8.73948 69.2702 -189.177 119.69 -8.97277 139.595 -63.7786 66.2691 -230.997 PRESSAVG: 2304000 -43.526 2.02836 -0.679253 2.02841 15.8087 8.19933 -0.679229 8.19928 15.725 GPRESSAVG: 2304000 -44.3758 -0.156511 -0.769382 5.9661 16.0787 10.8774 -1.17026 5.22765 15.8462 TIMING: 2304000 CPU: 6685.35, 0.00288209/step Wall: 6685.35, 0.00288209/step, 2.15836 hours remaining, 205.656250 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: 2304000 787.3548 2170.7881 1944.1574 111.9425 -206330.8916 17679.1392 0.0000 0.0000 34017.2742 -149620.2354 297.0813 -183637.5096 -149525.9784 297.9401 -111.4456 -77.0766 556246.1318 -3.9974 -4.1503 PRESSURE: 2304200 -92.8453 12.4434 -42.1692 12.4442 -171.822 -39.4554 -42.1693 -39.4543 45.8314 GPRESSURE: 2304200 -78.4301 63.1064 -42.5406 -15.2661 -93.3937 -18.7608 -11.6982 -29.7889 71.9144 PRESSAVG: 2304200 4.88973 14.8207 49.5626 14.8207 19.7788 -72.6354 49.5627 -72.6353 11.12 GPRESSAVG: 2304200 4.30012 16.6958 47.3161 11.791 20.7704 -74.7989 52.8448 -69.2421 9.76949 TIMING: 2304200 CPU: 6685.92, 0.00287765/step Wall: 6685.92, 0.00287765/step, 2.15488 hours remaining, 205.656250 MB of memory in use. ENERGY: 2304200 752.9959 2090.0470 1948.3744 109.3422 -206639.6134 17785.4326 0.0000 0.0000 34420.2588 -149533.1625 300.6007 -183953.4213 -149446.5383 298.0963 -72.9454 -33.3031 556378.6544 11.9295 11.6133 LDB: ============= START OF LOAD BALANCING ============== 6689.39 LDB: ============== END OF LOAD BALANCING =============== 6689.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6689.39 LDB: ============= START OF LOAD BALANCING ============== 6689.68 LDB: Largest compute 4821 load 0.028979 is 24.6% of average load 0.117738 LDB: Average compute 0.001726 is 1.5% of average load 0.117738 LDB: TIME 6689.68 LOAD: AVG 0.117738 MAX 0.177568 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.152 MB LDB: TIME 6689.68 LOAD: AVG 0.117738 MAX 0.177568 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.23 MB LDB: TIME 6689.68 LOAD: AVG 0.117738 MAX 0.177568 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6689.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6689.69 PRESSURE: 2304400 131.876 -18.2574 33.8483 -18.2581 -66.2163 -62.9534 33.8481 -62.9539 -117.083 GPRESSURE: 2304400 132.392 1.55604 27.8817 10.33 -25.2009 -141.326 -12.8086 -37.9508 -61.1585 PRESSAVG: 2304400 62.3168 -6.51028 52.915 -6.51028 -2.28503 -23.3861 52.915 -23.3863 -17.2676 GPRESSAVG: 2304400 61.3489 -8.12875 52.7695 -4.76622 -2.91657 -21.1469 52.6532 -24.4886 -15.8411 TIMING: 2304400 CPU: 6686.51, 0.00294851/step Wall: 6686.51, 0.00294851/step, 2.20778 hours remaining, 207.417969 MB of memory in use. ENERGY: 2304400 765.1616 2116.4823 1963.5459 110.4364 -206440.8855 17845.0058 0.0000 0.0000 34118.1971 -149522.0562 297.9627 -183640.2534 -149430.8989 298.1483 -17.1410 15.3443 557894.4557 14.2547 14.1971 PRESSURE: 2304600 -330.662 216.033 -35.6621 216.031 -96.5452 -58.4749 -35.6609 -58.4751 19.8638 GPRESSURE: 2304600 -251.326 258.393 -4.44085 177.805 -122.633 -181.549 -16.0158 27.6073 60.0181 PRESSAVG: 2304600 -6.74614 -11.9619 -29.8886 -11.9618 -51.756 -59.3148 -29.8885 -59.3148 -5.04936 GPRESSAVG: 2304600 -6.98126 -12.1959 -29.1867 -14.2268 -52.3649 -58.4805 -30.1965 -60.9907 -4.52365 TIMING: 2304600 CPU: 6687.09, 0.00288972/step Wall: 6687.09, 0.00288972/step, 2.16359 hours remaining, 207.613281 MB of memory in use. ENERGY: 2304600 688.1804 2112.8992 1959.1980 127.0026 -205854.8843 17409.1313 0.0000 0.0000 33898.7794 -149659.6935 296.0465 -183558.4729 -149556.5680 297.3354 -135.7813 -104.6468 557422.2007 -21.1838 -21.2899 PRESSURE: 2304800 59.4543 21.223 -171.531 21.2239 8.79351 84.0878 -171.529 84.0868 184.234 GPRESSURE: 2304800 115.114 -107.785 -137.934 70.933 21.2017 6.72384 -147.412 103.799 215.566 PRESSAVG: 2304800 -20.2121 20.0327 16.6894 20.0327 34.0443 -42.5525 16.6892 -42.5525 -36.7361 GPRESSAVG: 2304800 -20.6778 19.253 15.8767 20.8692 34.5451 -44.2364 16.483 -40.4375 -36.6001 TIMING: 2304800 CPU: 6687.67, 0.00288801/step Wall: 6687.67, 0.00288801/step, 2.16216 hours remaining, 207.613281 MB of memory in use. ENERGY: 2304800 711.7854 2054.6291 1955.5908 114.9825 -206548.5116 17939.5398 0.0000 0.0000 34199.3061 -149572.6779 298.6710 -183771.9839 -149475.8200 297.1430 84.1606 117.2937 557396.7474 -7.6347 -7.5776 PRESSURE: 2305000 201.366 -40.3278 -12.4075 -40.3279 111.8 -45.3251 -12.407 -45.3249 -141.763 GPRESSURE: 2305000 242.3 -54.63 -31.0927 -7.22485 101.277 -14.3286 69.0331 -17.4508 -75.1342 PRESSAVG: 2305000 -16.1172 9.9239 19.5065 9.92392 9.47638 31.7585 19.5065 31.7585 32.4286 GPRESSAVG: 2305000 -14.7994 10.9129 19.893 8.96619 8.31672 29.4777 19.6775 32.0067 32.1524 TIMING: 2305000 CPU: 6688.25, 0.0028995/step Wall: 6688.25, 0.0028995/step, 2.1706 hours remaining, 207.613281 MB of memory in use. ENERGY: 2305000 739.1802 2100.0350 1957.3104 126.5431 -206655.4301 18028.6225 0.0000 0.0000 34273.9262 -149429.8128 299.3227 -183703.7389 -149338.6969 298.5298 57.1344 89.4808 556735.5614 8.5959 8.5566 PRESSURE: 2305200 -243.673 -26.3418 212.638 -26.3419 7.1953 38.7881 212.639 38.7891 -213.898 GPRESSURE: 2305200 -150.701 5.12159 178.747 -61.3022 -0.603831 90.5083 257.671 -55.743 -197.441 PRESSAVG: 2305200 -58.2364 -38.2605 24.9448 -38.2605 75.1389 15.3169 24.9448 15.3168 -6.58495 GPRESSAVG: 2305200 -59.4085 -40.0368 26.2519 -36.2077 76.1155 16.0736 25.9488 14.4395 -6.79965 TIMING: 2305200 CPU: 6688.83, 0.00289217/step Wall: 6688.83, 0.00289217/step, 2.16495 hours remaining, 207.613281 MB of memory in use. ENERGY: 2305200 741.9656 2090.2553 1948.0157 112.3059 -206264.2827 17713.5963 0.0000 0.0000 34128.9510 -149529.1928 298.0566 -183658.1438 -149429.1173 298.9229 -150.1254 -116.2486 558398.1729 3.4392 3.3025 PRESSURE: 2305400 -188.663 183.094 -122.873 183.094 125.719 21.4051 -122.873 21.4045 16.0719 GPRESSURE: 2305400 -118.632 237.303 -161.289 251.946 117.64 -11.3298 -55.3268 23.7712 54.8955 PRESSAVG: 2305400 20.5067 -15.5247 17.7492 -15.5247 6.29151 -19.2759 17.7491 -19.2759 -21.4253 GPRESSAVG: 2305400 20.7134 -14.7632 17.8693 -16.881 5.72947 -17.94 14.5155 -21.0152 -20.5524 TIMING: 2305400 CPU: 6689.4, 0.00288779/step Wall: 6689.4, 0.00288779/step, 2.16151 hours remaining, 207.613281 MB of memory in use. ENERGY: 2305400 734.6188 2118.3522 1942.3223 122.2637 -206090.1388 17608.4759 0.0000 0.0000 34236.2371 -149327.8689 298.9936 -183564.1059 -149234.0782 298.6899 -15.6241 17.9681 555946.5033 1.7910 1.9635 PRESSURE: 2305600 -60.524 11.4276 118.606 11.4288 5.10465 59.8014 118.605 59.8023 53.0309 GPRESSURE: 2305600 -12.9647 -37.6558 183.402 43.8875 45.3073 103.023 91.5648 21.4631 55.2574 PRESSAVG: 2305600 -20.0247 -61.8278 44.8799 -61.8279 24.0646 15.3278 44.8799 15.3278 -1.36138 GPRESSAVG: 2305600 -20.3447 -59.9737 45.2543 -64.1083 24.888 14.9866 46.5206 16.5751 -2.41907 TIMING: 2305600 CPU: 6689.98, 0.00289494/step Wall: 6689.98, 0.00289494/step, 2.1667 hours remaining, 207.613281 MB of memory in use. ENERGY: 2305600 709.0892 2057.2371 1969.7745 113.9060 -206311.4749 17649.7004 0.0000 0.0000 34354.5456 -149457.2221 300.0268 -183811.7677 -149356.2428 299.2541 -0.7962 29.2000 556232.1056 0.8928 0.7081 PRESSURE: 2305800 -55.0731 103.294 -35.7222 103.295 -36.8111 -34.7743 -35.7204 -34.7744 85.6355 GPRESSURE: 2305800 -41.8067 100.385 -21.2762 71.6642 -10.128 -58.68 -15.2567 -40.0632 143.601 PRESSAVG: 2305800 -15.935 6.42348 36.0097 6.42355 75.0738 -7.08568 36.0098 -7.08566 -56.8156 GPRESSAVG: 2305800 -16.0276 5.79007 35.2915 7.64598 74.7108 -6.53598 36.7855 -9.19887 -56.5233 TIMING: 2305800 CPU: 6690.56, 0.00289062/step Wall: 6690.56, 0.00289062/step, 2.1633 hours remaining, 207.613281 MB of memory in use. ENERGY: 2305800 731.3957 2070.0424 1950.7140 96.8696 -206286.4399 17727.1824 0.0000 0.0000 34263.5219 -149446.7140 299.2319 -183710.2358 -149350.5776 298.9500 -2.0829 30.5553 555113.7579 0.7744 0.7200 PRESSURE: 2306000 176.157 23.5706 2.33149 23.572 -104.875 -110.551 2.3306 -110.55 159.144 GPRESSURE: 2306000 225.769 127.192 -11.744 -139.288 -60.267 -168.569 -24.0429 -63.8918 165.75 PRESSAVG: 2306000 -27.4359 7.88261 3.84565 7.88259 0.132303 -29.2542 3.84554 -29.2542 46.2538 GPRESSAVG: 2306000 -26.7632 7.21736 5.66893 8.13243 0.336079 -28.6218 2.63255 -27.4453 45.0722 TIMING: 2306000 CPU: 6691.14, 0.00287782/step Wall: 6691.14, 0.00287782/step, 2.15357 hours remaining, 207.871094 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: 2306000 744.1398 2023.5045 1941.9632 107.8700 -206184.3785 17831.4489 0.0000 0.0000 34308.2904 -149227.1617 299.6228 -183535.4521 -149130.7896 298.6739 76.8087 110.4173 555756.6512 6.3167 6.2150 PRESSURE: 2306200 -178.639 141.868 146.04 141.868 -103.339 -38.0904 146.04 -38.0914 -78.8346 GPRESSURE: 2306200 -110.826 45.9548 139.633 173.555 -31.2753 -57.5775 180.935 12.1482 -126.58 PRESSAVG: 2306200 28.0098 25.8123 17.1755 25.8124 15.6163 8.26434 17.1754 8.26432 -17.1172 GPRESSAVG: 2306200 28.9741 25.1489 16.9653 26.9463 14.7757 8.69268 16.5706 7.49133 -17.5625 TIMING: 2306200 CPU: 6691.71, 0.00288161/step Wall: 6691.71, 0.00288161/step, 2.15625 hours remaining, 207.871094 MB of memory in use. ENERGY: 2306200 746.7688 2134.2949 1951.5218 115.1629 -205860.8132 17581.2380 0.0000 0.0000 34229.2639 -149102.5629 298.9327 -183331.8268 -149015.5404 299.2042 -120.2708 -89.5603 556972.7535 8.8363 8.7291 PRESSURE: 2306400 83.8833 -0.158689 150.779 -0.157452 357.14 23.0034 150.778 23.0027 144.524 GPRESSURE: 2306400 79.2239 -84.2413 130.503 114.798 373.118 -88.7742 225.793 38.9513 236.367 PRESSAVG: 2306400 9.34833 32.2455 31.0227 32.2455 -65.0309 -32.9005 31.0227 -32.9004 69.0231 GPRESSAVG: 2306400 7.8316 33.2691 30.4297 32.697 -65.2057 -32.8647 31.4086 -33.7585 70.4418 TIMING: 2306400 CPU: 6692.29, 0.00287042/step Wall: 6692.29, 0.00287042/step, 2.14772 hours remaining, 207.882812 MB of memory in use. ENERGY: 2306400 742.4331 2084.9496 1936.1360 115.7288 -206167.0970 18079.6311 0.0000 0.0000 34170.0917 -149038.1267 298.4159 -183208.2184 -148948.2572 299.3121 195.1825 229.5697 557674.1066 4.4468 4.3559 PRESSURE: 2306600 135.503 -192.392 -12.8925 -192.392 114.409 119.306 -12.8939 119.306 -25.9679 GPRESSURE: 2306600 152.275 -178.637 35.99 -221.761 77.3855 95.6512 24.5982 165.664 78.1161 PRESSAVG: 2306600 -40.3054 -15.0983 33.2046 -15.0984 -9.73204 6.07905 33.2046 6.07912 -12.8734 GPRESSAVG: 2306600 -41.1666 -14.1142 33.6325 -17.814 -8.82739 7.37342 33.6065 6.67627 -13.2105 TIMING: 2306600 CPU: 6692.86, 0.00287348/step Wall: 6692.86, 0.00287348/step, 2.14984 hours remaining, 207.882812 MB of memory in use. ENERGY: 2306600 735.8235 2133.7327 1948.4218 113.3658 -206135.9769 17936.7242 0.0000 0.0000 34235.8307 -149032.0781 298.9900 -183267.9088 -148930.7822 298.7305 74.6482 102.5921 557637.6306 -20.9703 -21.0682 PRESSURE: 2306800 -85.1853 -74.3009 -5.39384 -74.301 -16.1291 107.698 -5.39484 107.698 35.3184 GPRESSURE: 2306800 -85.8702 -81.1083 3.31046 -7.89045 55.8882 149.443 -39.182 98.8835 64.4621 PRESSAVG: 2306800 -7.8358 -10.0283 20.3825 -10.0283 -14.8227 16.9202 20.3826 16.9202 -18.9494 GPRESSAVG: 2306800 -6.59462 -10.9424 19.414 -8.71598 -15.8871 14.8701 20.7383 17.6569 -19.5345 TIMING: 2306800 CPU: 6693.44, 0.00289578/step Wall: 6693.44, 0.00289578/step, 2.16637 hours remaining, 207.882812 MB of memory in use. ENERGY: 2306800 714.1702 2067.4770 1959.3357 113.3977 -206158.3780 17931.8822 0.0000 0.0000 34342.6729 -149029.4423 299.9231 -183372.1151 -148936.3903 298.7324 -21.9986 11.4934 558436.0856 -13.8693 -14.0054 PRESSURE: 2307000 -103.316 -85.9391 169.458 -85.938 36.0531 -35.1219 169.46 -35.121 -93.0532 GPRESSURE: 2307000 -90.7949 -126.306 259.945 -6.8484 57.8625 -57.6147 194.301 18.0286 -26.4414 PRESSAVG: 2307000 -4.82204 -83.845 -11.028 -83.8451 109.389 4.82463 -11.028 4.82467 -12.7749 GPRESSAVG: 2307000 -4.37507 -82.4815 -9.88932 -83.0911 109.06 5.86607 -11.0862 4.66426 -12.6502 TIMING: 2307000 CPU: 6694.02, 0.00288204/step Wall: 6694.02, 0.00288204/step, 2.15593 hours remaining, 207.882812 MB of memory in use. ENERGY: 2307000 742.2000 2085.3223 1964.2053 119.4650 -206165.9060 17812.6723 0.0000 0.0000 34352.6347 -149089.4064 300.0101 -183442.0411 -148996.8131 299.9576 -53.4387 -19.7912 557716.1412 30.5974 30.6783 PRESSURE: 2307200 -14.6664 84.6542 -41.5855 84.6546 -204.881 20.2812 -41.5852 20.2819 -70.3096 GPRESSURE: 2307200 2.09884 216.608 -118.085 100.353 -134.456 22.5373 -84.3019 36.382 -51.6695 PRESSAVG: 2307200 -9.69427 10.0882 -2.29439 10.0882 -21.4541 4.65787 -2.29437 4.6578 -28.617 GPRESSAVG: 2307200 -9.93076 8.54765 -3.26725 9.40053 -20.7747 4.09605 -1.6349 5.43901 -28.7939 TIMING: 2307200 CPU: 6694.59, 0.00287696/step Wall: 6694.59, 0.00287696/step, 2.15196 hours remaining, 207.882812 MB of memory in use. ENERGY: 2307200 766.6352 2079.0994 1953.8704 122.1586 -206016.8763 17689.6809 0.0000 0.0000 34238.4012 -149167.0307 299.0125 -183405.4319 -149065.8162 298.8374 -96.6191 -61.3421 557714.6569 -19.9218 -19.8331 PRESSURE: 2307400 261.212 -13.929 19.1572 -13.9289 -33.0789 95.1641 19.1574 95.1638 183.325 GPRESSURE: 2307400 342.842 -5.28041 -37.4044 -47.1535 -32.1866 8.4442 66.0484 143.445 200.925 PRESSAVG: 2307400 -76.6363 18.0123 -18.7005 18.0124 -30.1886 -22.0489 -18.7005 -22.0489 80.7015 GPRESSAVG: 2307400 -76.9444 17.8704 -18.6956 19.1013 -29.6561 -22.4367 -19.4232 -22.9856 80.6553 TIMING: 2307400 CPU: 6695.17, 0.00288978/step Wall: 6695.17, 0.00288978/step, 2.16139 hours remaining, 207.882812 MB of memory in use. ENERGY: 2307400 737.3346 2086.7317 1959.6232 105.8606 -206526.0583 18011.5295 0.0000 0.0000 34371.0412 -149253.9374 300.1709 -183624.9786 -149162.4560 298.7978 137.1529 170.5268 556699.4157 -8.7078 -8.6484 PRESSURE: 2307600 17.8171 -45.0136 -10.3452 -45.0129 -59.199 -15.6754 -10.3471 -15.6762 226.897 GPRESSURE: 2307600 33.524 -102.021 -44.1649 -0.0512564 -3.78104 -12.7234 13.6325 -52.6837 263.206 PRESSAVG: 2307600 54.0517 10.4644 -0.1692 10.4645 -60.5335 -29.2233 -0.169186 -29.2233 16.9202 GPRESSAVG: 2307600 53.9479 13.156 0.295326 7.42532 -60.7074 -28.1384 -1.154 -29.6028 17.5349 TIMING: 2307600 CPU: 6695.75, 0.00289709/step Wall: 6695.75, 0.00289709/step, 2.1667 hours remaining, 207.882812 MB of memory in use. ENERGY: 2307600 749.9021 2097.4033 1962.3509 118.9613 -206247.8557 17837.0353 0.0000 0.0000 34278.2420 -149203.9609 299.3604 -183482.2029 -149103.1487 299.1152 61.8384 97.6496 556892.0974 3.4795 3.5918 PRESSURE: 2307800 -183.186 -305.571 -24.5446 -305.57 76.8065 41.6954 -24.5437 41.6943 -68.0022 GPRESSURE: 2307800 -119.384 -310.78 -9.42646 -223.111 85.9477 79.7365 -140.529 49.536 -56.7358 PRESSAVG: 2307800 -43.1122 -10.033 -20.3434 -10.0331 -30.9472 -37.579 -20.3434 -37.579 42.88 GPRESSAVG: 2307800 -42.7354 -13.1234 -20.6327 -8.24904 -30.9661 -37.8534 -19.2466 -38.0506 43.3013 TIMING: 2307800 CPU: 6696.33, 0.00291704/step Wall: 6696.33, 0.00291704/step, 2.18146 hours remaining, 207.882812 MB of memory in use. ENERGY: 2307800 787.2317 2086.0340 1937.1607 118.0342 -206401.1443 17852.3748 0.0000 0.0000 34467.5176 -149152.7914 301.0134 -183620.3090 -149059.8064 299.8483 -58.1272 -30.0575 557216.0697 -10.3931 -10.1334 PRESSURE: 2308000 -38.793 -15.6264 -144.858 -15.6271 193.488 -35.7937 -144.859 -35.7932 -321.767 GPRESSURE: 2308000 -97.2159 -73.7012 -219.072 -79.7488 271.318 -34.598 -103.725 -30.7844 -246.746 PRESSAVG: 2308000 41.0885 -8.57648 -41.2937 -8.57649 -43.4615 27.5138 -41.2937 27.5139 -27.3781 GPRESSAVG: 2308000 41.1768 -4.85392 -43.1663 -9.44533 -42.2258 26.9201 -40.7372 28.6921 -28.394 TIMING: 2308000 CPU: 6696.92, 0.00291035/step Wall: 6696.92, 0.00291035/step, 2.17629 hours remaining, 207.882812 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: 2308000 724.8604 2109.6044 1974.0820 122.5401 -206041.6441 17632.9953 0.0000 0.0000 34414.9508 -149062.6111 300.5543 -183477.5619 -148963.8847 299.7114 -55.6906 -24.2146 556562.9502 -9.9170 -9.8144 PRESSURE: 2308200 85.3212 -79.824 -99.3413 -79.8235 83.7732 92.7626 -99.3417 92.7623 127.502 GPRESSURE: 2308200 118.705 -148.104 -58.6267 -27.2209 84.7551 134.195 -62.5813 45.122 185.125 PRESSAVG: 2308200 17.0636 1.33196 -1.18155 1.33198 -9.87898 31.2167 -1.18157 31.2167 -31.5868 GPRESSAVG: 2308200 16.9055 -1.93035 1.31617 2.59947 -9.61441 29.1183 -1.31145 29.5758 -31.9742 TIMING: 2308200 CPU: 6697.5, 0.00291819/step Wall: 6697.5, 0.00291819/step, 2.18199 hours remaining, 207.882812 MB of memory in use. ENERGY: 2308200 797.0377 2078.5648 1951.4986 104.8491 -206189.6025 17924.6323 0.0000 0.0000 34296.6523 -149036.3676 299.5212 -183333.0199 -148937.3993 299.8601 98.8656 129.5284 556566.4766 -8.1341 -8.2277 LDB: ============= START OF LOAD BALANCING ============== 6700.97 LDB: ============== END OF LOAD BALANCING =============== 6700.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6700.97 LDB: ============= START OF LOAD BALANCING ============== 6701.26 LDB: Largest compute 4821 load 0.029392 is 25.0% of average load 0.117787 LDB: Average compute 0.001725 is 1.5% of average load 0.117787 LDB: TIME 6701.26 LOAD: AVG 0.117787 MAX 0.178983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.52 MB LDB: TIME 6701.26 LOAD: AVG 0.117787 MAX 0.178983 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: TIME 6701.26 LOAD: AVG 0.117787 MAX 0.178983 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6701.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6701.27 PRESSURE: 2308400 174.92 86.6425 -19.4106 86.6419 51.3006 -23.2355 -19.4118 -23.2356 102.798 GPRESSURE: 2308400 213.869 93.1839 7.57841 120.638 36.1753 -64.4157 -30.2444 26.3694 184.212 PRESSAVG: 2308400 45.785 -28.2248 35.6217 -28.2249 -1.90961 -5.30295 35.6216 -5.30301 -66.914 GPRESSAVG: 2308400 46.2506 -28.5383 35.8454 -29.0632 -3.15435 -4.69787 34.1167 -2.44974 -66.0193 TIMING: 2308400 CPU: 6698.09, 0.00296645/step Wall: 6698.09, 0.00296645/step, 2.21792 hours remaining, 206.445312 MB of memory in use. ENERGY: 2308400 714.6218 2078.8800 1941.8251 105.3909 -205918.0431 17911.7990 0.0000 0.0000 34213.4904 -148952.0360 298.7949 -183165.5264 -148857.4722 299.9711 109.6729 144.7522 556530.3316 -7.6795 -7.6410 PRESSURE: 2308600 99.3022 -117.375 84.5608 -117.374 127.549 87.5792 84.5605 87.5786 341.584 GPRESSURE: 2308600 135.077 -87.0923 53.5588 -154.271 147.495 76.8533 55.3147 115.4 379.014 PRESSAVG: 2308600 -13.9079 -39.7695 -12.8405 -39.7695 -44.6848 -8.72279 -12.8405 -8.72282 -9.34056 GPRESSAVG: 2308600 -14.5314 -38.218 -14.2335 -40.0083 -44.014 -7.82015 -12.0331 -10.4967 -9.22527 TIMING: 2308600 CPU: 6698.67, 0.00289127/step Wall: 6698.67, 0.00289127/step, 2.16154 hours remaining, 206.843750 MB of memory in use. ENERGY: 2308600 741.1758 2125.8466 1950.7416 113.7475 -206238.7499 18112.1863 0.0000 0.0000 34267.6377 -148927.4145 299.2678 -183195.0522 -148839.7120 299.8204 189.4784 220.5287 557751.3252 -22.6444 -22.5902 PRESSURE: 2308800 -92.8897 -43.9077 104.239 -43.908 126.725 15.9252 104.24 15.9248 -204.706 GPRESSURE: 2308800 -45.0221 77.6129 114.366 -85.0828 131.371 45.7259 118.31 85.5796 -148.529 PRESSAVG: 2308800 31.6553 -40.8967 42.1582 -40.8967 -24.0854 24.0652 42.158 24.0651 4.77486 GPRESSAVG: 2308800 31.5458 -41.2358 42.0316 -38.4713 -24.1367 22.5396 41.8353 28.3615 5.33579 TIMING: 2308800 CPU: 6699.25, 0.00291134/step Wall: 6699.25, 0.00291134/step, 2.17639 hours remaining, 206.843750 MB of memory in use. ENERGY: 2308800 753.0711 2078.8997 1951.9169 113.7728 -205704.7393 17714.3824 0.0000 0.0000 34257.5576 -148835.1388 299.1798 -183092.6964 -148747.2282 299.4925 -56.9568 -20.7266 559229.8084 4.1149 4.2483 PRESSURE: 2309000 -19.1085 280.016 88.0933 280.016 292.146 8.00177 88.0928 8.0023 -100.801 GPRESSURE: 2309000 -13.5514 280.56 186.193 209.092 381.817 63.8627 117.06 34.691 -94.4684 PRESSAVG: 2309000 -42.5075 -49.2416 10.1131 -49.2416 20.2403 62.2942 10.1131 62.2942 -37.7227 GPRESSAVG: 2309000 -44.0115 -49.2433 10.7378 -49.2112 20.5501 66.0425 10.9021 56.9518 -36.976 TIMING: 2309000 CPU: 6699.84, 0.00292974/step Wall: 6699.84, 0.00292974/step, 2.18998 hours remaining, 206.843750 MB of memory in use. ENERGY: 2309000 776.3620 2045.1694 1956.7181 103.3928 -206009.8007 17713.8030 0.0000 0.0000 34394.4170 -149019.9385 300.3750 -183414.3555 -148925.5450 299.8638 57.4119 91.2659 557817.2195 -19.9967 -20.1458 PRESSURE: 2309200 51.8151 0.816808 55.8376 0.818167 275.88 160.518 55.8373 160.518 -96.9483 GPRESSURE: 2309200 90.8123 -76.5512 -3.1239 37.8604 271.54 132.745 122.535 179.34 -43.9127 PRESSAVG: 2309200 12.9799 -24.4683 14.2302 -24.4684 81.6715 37.1879 14.2301 37.1879 -59.154 GPRESSAVG: 2309200 14.6723 -25.6236 13.557 -24.3568 80.6966 34.8063 13.9885 39.7134 -60.5018 TIMING: 2309200 CPU: 6700.42, 0.00289713/step Wall: 6700.42, 0.00289713/step, 2.16544 hours remaining, 206.843750 MB of memory in use. ENERGY: 2309200 729.8192 2091.7185 1963.2965 123.4412 -205938.9664 17788.2523 0.0000 0.0000 34223.7859 -149018.6528 298.8848 -183242.4388 -148937.1267 299.9367 76.9157 106.1466 557398.1340 11.8325 11.6224 PRESSURE: 2309400 48.988 130.021 -58.2626 130.021 179.22 29.3595 -58.2614 29.3596 -67.1654 GPRESSURE: 2309400 94.8633 111.196 -74.3747 52.0491 140.084 -18.7834 -84.0799 31.0493 36.6229 PRESSAVG: 2309400 27.9692 20.8116 -0.828895 20.8115 138.498 38.087 -0.82901 38.0871 -97.8091 GPRESSAVG: 2309400 27.541 23.9402 -1.09072 18.315 138.993 37.4688 -0.712642 36.2656 -97.8661 TIMING: 2309400 CPU: 6701, 0.00290121/step Wall: 6701, 0.00290121/step, 2.16833 hours remaining, 206.914062 MB of memory in use. ENERGY: 2309400 709.3713 2139.8966 1985.8286 117.6501 -205841.7267 17663.8050 0.0000 0.0000 34177.4185 -149047.7566 298.4799 -183225.1751 -148945.3874 299.3917 53.6809 90.5233 557224.1736 22.8862 22.8891 PRESSURE: 2309600 -396.909 -1.92148 35.4529 -1.92161 -50.1211 69.1011 35.4529 69.0997 70.687 GPRESSURE: 2309600 -358.856 -73.311 45.2256 -10.8457 -18.7423 19.7744 38.5374 93.7401 84.463 PRESSAVG: 2309600 -15.9893 -5.66681 -34.69 -5.66684 21.7128 0.73612 -34.6899 0.736125 -17.0512 GPRESSAVG: 2309600 -15.6504 -8.48517 -33.8957 -5.67345 21.6817 1.96043 -35.1882 2.02064 -17.0995 TIMING: 2309600 CPU: 6701.58, 0.00289839/step Wall: 6701.58, 0.00289839/step, 2.16606 hours remaining, 206.914062 MB of memory in use. ENERGY: 2309600 741.6924 2063.1570 1967.5353 106.0096 -205870.3151 17742.7814 0.0000 0.0000 34157.8228 -149091.3167 298.3088 -183249.1395 -148997.1966 299.3359 -125.4477 -97.7118 559404.1627 -3.7759 -3.6894 PRESSURE: 2309800 -30.9639 75.1151 -88.4595 75.114 86.9835 -139.952 -88.46 -139.951 -24.3489 GPRESSURE: 2309800 22.2095 55.7484 -9.27621 140.001 112.601 -129.957 -53.6034 -165.89 -7.6295 PRESSAVG: 2309800 10.6656 28.5974 -68.0214 28.5973 24.4285 31.6801 -68.0213 31.6801 -34.2251 GPRESSAVG: 2309800 10.0015 29.6843 -68.8713 31.0329 24.579 31.4368 -64.8878 31.0698 -33.8287 TIMING: 2309800 CPU: 6702.16, 0.00289503/step Wall: 6702.16, 0.00289503/step, 2.16339 hours remaining, 206.914062 MB of memory in use. ENERGY: 2309800 756.3073 2117.7145 1985.5523 114.2453 -206254.3567 17795.1022 0.0000 0.0000 34413.2407 -149072.1944 300.5394 -183485.4351 -148981.0500 299.1922 10.5569 42.3938 556399.3741 0.2897 0.2506 PRESSURE: 2310000 -61.8276 -94.2732 -86.3854 -94.2724 72.512 -32.1722 -86.3855 -32.1716 -123.708 GPRESSURE: 2310000 16.7764 -90.2473 -111.025 -143.297 81.0555 -67.4012 -104.8 63.247 -101.16 PRESSAVG: 2310000 -44.953 -22.2509 -61.1313 -22.251 1.93136 5.34745 -61.1313 5.34757 89.7483 GPRESSAVG: 2310000 -43.8172 -23.2728 -60.6199 -24.4472 1.48836 6.40309 -63.7156 3.84973 89.0105 TIMING: 2310000 CPU: 6702.74, 0.00289881/step Wall: 6702.74, 0.00289881/step, 2.16606 hours remaining, 206.914062 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: 2310000 725.2407 2085.9743 1947.3285 113.2773 -205740.4621 17569.5620 0.0000 0.0000 34132.8079 -149166.2714 298.0903 -183299.0794 -149072.4484 300.3019 -37.6744 -1.1094 556571.2824 15.5756 15.5605 PRESSURE: 2310200 -147.04 107.238 75.0722 107.238 233.368 27.0325 75.0721 27.032 134.319 GPRESSURE: 2310200 -95.9107 103.649 234.412 99.5345 258.581 84.5128 33.5829 -31.0693 148.937 PRESSAVG: 2310200 -58.633 5.39891 -63.7772 5.39894 39.089 81.1294 -63.7771 81.1293 -9.34371 GPRESSAVG: 2310200 -59.7051 6.67074 -63.2525 6.72824 39.0082 79.3633 -63.5269 83.6049 -7.86879 TIMING: 2310200 CPU: 6703.33, 0.00293795/step Wall: 6703.33, 0.00293795/step, 2.19514 hours remaining, 206.914062 MB of memory in use. ENERGY: 2310200 703.5286 2028.0266 1970.6953 118.6611 -206189.8696 17873.3039 0.0000 0.0000 34344.2288 -149151.4253 299.9367 -183495.6541 -149051.3775 299.1170 73.5492 103.8691 558561.8865 -9.6293 -9.5219 PRESSURE: 2310400 -129.975 25.1233 16.789 25.123 150.174 140.844 16.7897 140.844 146.174 GPRESSURE: 2310400 -57.5332 -42.485 -20.1803 78.0988 136.691 144.555 38.0958 129.434 193.617 PRESSAVG: 2310400 -17.436 12.2739 -3.61739 12.2739 62.8971 -19.9163 -3.61733 -19.9163 -44.903 GPRESSAVG: 2310400 -17.0437 9.56859 -2.03092 13.1547 63.5866 -16.4289 -4.27993 -21.8659 -46.2982 TIMING: 2310400 CPU: 6703.91, 0.00290691/step Wall: 6703.91, 0.00290691/step, 2.17178 hours remaining, 206.914062 MB of memory in use. ENERGY: 2310400 727.8421 2113.0006 1960.7150 115.3388 -206329.2057 17941.9617 0.0000 0.0000 34220.8829 -149249.4647 298.8595 -183470.3476 -149157.9639 299.5266 55.4576 90.9249 557875.7989 0.1860 0.0815 PRESSURE: 2310600 270.545 114.98 -34.0139 114.98 -217.424 -83.6146 -34.0139 -83.6139 -3.79375 GPRESSURE: 2310600 345.314 89.2594 -66.1354 42.5029 -175.029 -128.643 16.0717 -48.6753 -13.103 PRESSAVG: 2310600 -63.4046 20.4081 8.74801 20.408 -32.4005 4.28614 8.74799 4.28608 73.68 GPRESSAVG: 2310600 -64.3066 21.3456 8.62169 19.1543 -33.1652 1.31826 7.59967 4.91273 74.6246 TIMING: 2310600 CPU: 6704.49, 0.00290691/step Wall: 6704.49, 0.00290691/step, 2.17163 hours remaining, 206.914062 MB of memory in use. ENERGY: 2310600 720.8438 2071.1543 1963.3409 110.4058 -206034.7998 17731.9561 0.0000 0.0000 34223.4025 -149213.6965 298.8815 -183437.0990 -149118.4803 299.2660 16.4422 52.3941 557394.4454 -7.3750 -7.6157 PRESSURE: 2310800 11.0799 15.7702 -6.21874 15.7701 47.1517 70.4364 -6.21859 70.4361 189.513 GPRESSURE: 2310800 109.609 25.417 14.3693 20.916 57.5037 33.4336 -12.1167 36.1547 182.356 PRESSAVG: 2310800 -25.7799 18.2335 -13.8676 18.2335 -15.9275 59.223 -13.8676 59.223 68.4722 GPRESSAVG: 2310800 -24.9219 18.3446 -14.8139 18.8721 -16.4423 62.2988 -12.0814 56.9171 68.1901 TIMING: 2310800 CPU: 6705.07, 0.00290133/step Wall: 6705.07, 0.00290133/step, 2.16729 hours remaining, 206.914062 MB of memory in use. ENERGY: 2310800 704.2062 2056.6295 1969.7612 116.3735 -206050.4311 17839.0734 0.0000 0.0000 34130.5340 -149233.8533 298.0704 -183364.3874 -149132.4298 299.3170 82.5816 116.4897 558072.3235 8.9216 8.9420 PRESSURE: 2311000 178.799 98.2776 -22.0398 98.2773 366.637 173.951 -22.0386 173.951 -196.045 GPRESSURE: 2311000 241.373 127.095 27.7325 122.455 336.268 97.7197 -15.1256 140.519 -129.955 PRESSAVG: 2311000 8.56218 -43.4452 -39.7115 -43.4451 94.941 34.6185 -39.7116 34.6185 -46.3733 GPRESSAVG: 2311000 7.93754 -42.6612 -41.0809 -42.7573 95.8221 31.2677 -40.5367 37.8652 -47.0894 TIMING: 2311000 CPU: 6705.65, 0.00290096/step Wall: 6705.65, 0.00290096/step, 2.16686 hours remaining, 206.914062 MB of memory in use. ENERGY: 2311000 776.4215 2102.5760 1956.2718 84.8435 -206428.8968 18147.3470 0.0000 0.0000 34295.0575 -149066.3796 299.5073 -183361.4371 -148968.3359 299.4051 116.4638 149.2289 558584.5480 19.0433 18.8901 PRESSURE: 2311200 -244.683 -127.633 102.088 -127.634 -148.301 33.8904 102.088 33.8921 51.7424 GPRESSURE: 2311200 -177.572 -107.292 145.833 -196.252 -115.017 176.809 129.782 39.433 55.6653 PRESSAVG: 2311200 5.85998 15.3446 5.17631 15.3446 33.5423 51.0825 5.17642 51.0826 -98.2167 GPRESSAVG: 2311200 6.88888 16.7463 5.48985 12.051 33.9741 51.5368 5.13742 50.7292 -99.3595 TIMING: 2311200 CPU: 6706.23, 0.00291528/step Wall: 6706.23, 0.00291528/step, 2.17739 hours remaining, 206.914062 MB of memory in use. ENERGY: 2311200 732.3762 2101.3096 1990.8651 120.6823 -205895.9031 17721.1684 0.0000 0.0000 34280.3275 -148949.1740 299.3786 -183229.5016 -148857.2018 299.2955 -113.7473 -78.9747 558210.4781 -19.6048 -19.4988 PRESSURE: 2311400 -129.475 57.6872 -33.587 57.6884 4.56916 -14.76 -33.588 -14.7607 4.65735 GPRESSURE: 2311400 -67.9784 -77.0736 52.2689 19.048 15.1513 59.2805 -49.4224 26.2396 32.3331 PRESSAVG: 2311400 45.5726 -12.2191 -22.9751 -12.2192 -51.9232 9.64764 -22.9751 9.64762 29.534 GPRESSAVG: 2311400 45.3117 -13.3665 -24.7391 -10.2558 -52.6075 11.1092 -21.5923 10.4822 30.5442 TIMING: 2311400 CPU: 6706.82, 0.00292687/step Wall: 6706.82, 0.00292687/step, 2.18589 hours remaining, 206.914062 MB of memory in use. ENERGY: 2311400 759.0646 2144.8958 1940.9453 116.7076 -205936.7646 17631.0978 0.0000 0.0000 34349.5165 -148994.5369 299.9829 -183344.0534 -148900.7136 299.7686 -40.0829 -6.8313 557470.5056 7.7278 7.7495 PRESSURE: 2311600 -139.126 110.239 -113.779 110.238 -72.3675 -123.479 -113.778 -123.48 -11.3356 GPRESSURE: 2311600 -136.827 246.839 -113.428 -5.77106 21.8826 -47.5405 -117.131 -161.852 -3.47301 PRESSAVG: 2311600 -43.3235 48.2589 -41.3796 48.2589 -13.0752 -22.8868 -41.3795 -22.8867 32.0971 GPRESSAVG: 2311600 -44.3549 47.7438 -41.1087 49.4973 -12.9155 -22.2924 -41.426 -23.9452 32.811 TIMING: 2311600 CPU: 6707.4, 0.00292358/step Wall: 6707.4, 0.00292358/step, 2.18327 hours remaining, 206.914062 MB of memory in use. ENERGY: 2311600 731.9192 2126.9367 1974.1987 109.4039 -205908.6787 17593.4591 0.0000 0.0000 34358.5538 -149014.2074 300.0618 -183372.7612 -148925.9497 300.0273 -74.2763 -39.4724 556912.4814 -8.1005 -8.1531 PRESSURE: 2311800 112.469 116.301 -42.3118 116.302 -152.561 111.555 -42.3122 111.556 103.184 GPRESSURE: 2311800 117.384 53.5389 -28.3691 45.9515 -129.595 75.4065 -4.8765 53.6543 185.859 PRESSAVG: 2311800 15.2076 49.3202 -71.0672 49.3202 -25.4731 -13.887 -71.0671 -13.887 2.4628 GPRESSAVG: 2311800 14.0307 49.8333 -69.935 47.2152 -24.8861 -14.0295 -73.0073 -12.1109 3.11423 TIMING: 2311800 CPU: 6707.99, 0.00293284/step Wall: 6707.99, 0.00293284/step, 2.19002 hours remaining, 206.914062 MB of memory in use. ENERGY: 2311800 752.4637 2097.5811 1966.1002 118.5712 -206024.6485 17846.7607 0.0000 0.0000 34208.1306 -149035.0410 298.7481 -183243.1716 -148933.3529 299.7162 21.0307 57.8825 558849.6665 -2.6009 -2.5804 PRESSURE: 2312000 -107.316 -38.392 104.64 -38.3914 -240.639 -146.01 104.641 -146.01 -177.589 GPRESSURE: 2312000 -53.9435 40.7734 109.586 -97.0617 -232.243 -89.127 116.299 -191.924 -131.022 PRESSAVG: 2312000 9.37362 36.1824 -49.3293 36.1824 -15.3309 29.2902 -49.3294 29.2902 -16.962 GPRESSAVG: 2312000 11.0075 36.8701 -48.9706 37.3351 -16.2309 29.5174 -48.1314 28.208 -17.1654 TIMING: 2312000 CPU: 6708.57, 0.0029149/step Wall: 6708.57, 0.0029149/step, 2.17646 hours remaining, 206.914062 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: 2312000 764.4544 2127.2768 1950.9211 108.9573 -205599.1179 17533.3727 0.0000 0.0000 34109.6891 -149004.4464 297.8884 -183114.1355 -148920.9329 299.2333 -175.1816 -139.0693 558649.9315 -7.6398 -7.4629 PRESSURE: 2312200 -144.261 114.221 310.379 114.22 -18.3997 293.319 310.377 293.319 -5.027 GPRESSURE: 2312200 -119.229 130.944 268.125 118.692 26.5858 367.343 200.085 284.38 4.21111 PRESSAVG: 2312200 8.66924 47.2735 16.4392 47.2735 -62.3278 -24.2116 16.4393 -24.2116 28.9563 GPRESSAVG: 2312200 8.93152 47.184 17.0315 48.4174 -61.7287 -25.1179 16.3801 -25.127 27.9979 TIMING: 2312200 CPU: 6709.15, 0.00289657/step Wall: 6709.15, 0.00289657/step, 2.16261 hours remaining, 206.914062 MB of memory in use. ENERGY: 2312200 781.0408 2148.7645 1957.4197 126.6339 -205658.3004 17660.4725 0.0000 0.0000 34233.7358 -148750.2331 298.9717 -182983.9689 -148650.4217 299.6162 -55.8957 -29.4775 558296.8228 -8.2341 -8.2664 LDB: ============= START OF LOAD BALANCING ============== 6712.62 LDB: ============== END OF LOAD BALANCING =============== 6712.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.62 LDB: ============= START OF LOAD BALANCING ============== 6712.91 LDB: Largest compute 4820 load 0.028474 is 24.2% of average load 0.117718 LDB: Average compute 0.001731 is 1.5% of average load 0.117718 LDB: TIME 6712.91 LOAD: AVG 0.117718 MAX 0.177618 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.391 MB LDB: TIME 6712.91 LOAD: AVG 0.117718 MAX 0.177618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: TIME 6712.91 LOAD: AVG 0.117718 MAX 0.177618 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6712.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6712.92 PRESSURE: 2312400 59.1534 196.09 -148.262 196.09 -23.361 -42.5339 -148.263 -42.5346 9.17675 GPRESSURE: 2312400 64.8397 225.897 -155.514 164.176 36.6698 -105.024 -187.02 4.09943 49.2871 PRESSAVG: 2312400 -6.28805 53.4743 33.8007 53.4743 35.1728 -5.60556 33.8007 -5.60539 14.0916 GPRESSAVG: 2312400 -8.17579 55.4341 32.5621 53.1857 36.3696 -5.35469 35.3114 -4.73012 15.0516 TIMING: 2312400 CPU: 6709.74, 0.00296704/step Wall: 6709.74, 0.00296704/step, 2.21506 hours remaining, 206.386719 MB of memory in use. ENERGY: 2312400 723.1960 2058.6582 1965.1019 116.7677 -205642.9954 17789.2504 0.0000 0.0000 34257.2407 -148732.7804 299.1770 -182990.0212 -148636.3864 299.5066 14.9897 50.2655 557534.7329 14.3255 14.4152 PRESSURE: 2312600 44.1118 161.759 166.009 161.759 -103.168 224.498 166.009 224.499 53.0922 GPRESSURE: 2312600 63.4554 132.408 71.3438 196.865 -42.1934 151.337 190.242 260.028 76.4575 PRESSAVG: 2312600 -12.876 22.427 49.3373 22.4269 -19.1779 -17.0339 49.3373 -17.0338 -3.02942 GPRESSAVG: 2312600 -12.0461 21.897 47.9536 20.9996 -19.6347 -15.8144 48.298 -18.7423 -3.2982 TIMING: 2312600 CPU: 6710.32, 0.00289397/step Wall: 6710.32, 0.00289397/step, 2.16035 hours remaining, 206.386719 MB of memory in use. ENERGY: 2312600 762.1844 2121.1541 1973.5096 112.2489 -205798.0402 17712.2985 0.0000 0.0000 34167.3499 -148949.2948 298.3920 -183116.6447 -148846.7611 299.7431 -1.9878 32.5732 557729.5309 -11.6944 -11.6597 PRESSURE: 2312800 103.573 -29.2768 -20.9912 -29.2764 -97.2314 -27.3893 -20.9916 -27.389 197.923 GPRESSURE: 2312800 162.193 40.5458 -6.26847 -90.7421 -55.7468 6.59492 -71.7557 -67.1998 198.486 PRESSAVG: 2312800 55.4022 17.9488 21.5463 17.9489 7.60379 -5.82148 21.5463 -5.8214 -66.2236 GPRESSAVG: 2312800 55.653 18.9446 22.8846 16.6974 7.36231 -6.70175 21.373 -4.8053 -66.3801 TIMING: 2312800 CPU: 6710.9, 0.00290227/step Wall: 6710.9, 0.00290227/step, 2.16639 hours remaining, 206.386719 MB of memory in use. ENERGY: 2312800 753.8368 2116.1208 1975.6353 121.5258 -205970.4313 17888.9850 0.0000 0.0000 34219.0510 -148895.2766 298.8435 -183114.3276 -148798.8728 299.7725 68.0882 101.6440 556404.6632 -1.0725 -1.1216 PRESSURE: 2313000 -285.834 -91.527 -95.9146 -91.5266 146.467 75.3805 -95.9162 75.3805 -132.882 GPRESSURE: 2313000 -220.714 -9.36175 -50.5094 -130.239 131 70.2512 -67.4921 49.1738 -84.4246 PRESSAVG: 2313000 -17.3613 -51.3023 -12.1056 -51.3023 -29.4006 41.3963 -12.1057 41.3964 21.784 GPRESSAVG: 2313000 -17.2894 -53.2439 -12.081 -48.322 -29.5462 40.1902 -11.2141 41.4319 22.276 TIMING: 2313000 CPU: 6711.48, 0.00287584/step Wall: 6711.48, 0.00287584/step, 2.14649 hours remaining, 206.386719 MB of memory in use. ENERGY: 2313000 740.9677 2082.5963 1967.1755 110.0475 -205893.6072 17679.5245 0.0000 0.0000 34382.9583 -148930.3374 300.2749 -183313.2957 -148831.7308 299.7777 -90.7499 -58.0465 559244.8925 -8.3260 -8.1866 PRESSURE: 2313200 -159.375 173.734 -17.4375 173.734 38.221 127.878 -17.4379 127.877 -357.932 GPRESSURE: 2313200 -119.799 79.5696 -70.5521 186.493 38.2463 21.7939 25.564 204.765 -307.582 PRESSAVG: 2313200 -34.1885 1.65711 19.7952 1.6571 2.5452 54.0863 19.7952 54.0863 20.6539 GPRESSAVG: 2313200 -34.2699 0.42535 19.8902 3.31916 3.27054 53.0606 19.2784 55.619 19.8698 TIMING: 2313200 CPU: 6712.05, 0.00287544/step Wall: 6712.05, 0.00287544/step, 2.14604 hours remaining, 206.386719 MB of memory in use. ENERGY: 2313200 751.6996 2134.5685 1937.5742 101.8524 -205837.0465 17707.2138 0.0000 0.0000 34295.1033 -148909.0348 299.5077 -183204.1381 -148808.2664 300.2016 -159.6953 -129.7117 558535.7122 -3.6631 -3.7098 PRESSURE: 2313400 80.4463 99.985 -65.2699 99.9852 341.083 -132.313 -65.2706 -132.312 381.073 GPRESSURE: 2313400 75.856 114.953 -67.8465 84.6767 386.373 -20.4593 -85.6377 -139.8 439.387 PRESSAVG: 2313400 -48.9427 66.1197 6.96968 66.1197 36.8716 23.8174 6.96978 23.8173 -4.87963 GPRESSAVG: 2313400 -49.0695 66.0386 5.9215 64.1081 36.996 25.9188 7.95768 21.923 -4.69943 TIMING: 2313400 CPU: 6712.63, 0.00290679/step Wall: 6712.63, 0.00290679/step, 2.16928 hours remaining, 206.386719 MB of memory in use. ENERGY: 2313400 708.3593 2064.9040 1968.9369 106.2617 -206250.8351 18116.8365 0.0000 0.0000 34332.8430 -148952.6938 299.8373 -183285.5367 -148852.1529 299.4442 267.5341 300.5386 557448.3121 -5.6503 -5.5910 PRESSURE: 2313600 -127.074 47.6525 95.2831 47.653 10.0413 18.1904 95.2837 18.1903 -367.473 GPRESSURE: 2313600 -117.457 1.36896 147.08 68.3677 54.8311 66.0654 -9.45331 -62.3276 -324.84 PRESSAVG: 2313600 -44.1603 10.5356 -24.2908 10.5356 36.2808 -66.7022 -24.2909 -66.7023 -12.7185 GPRESSAVG: 2313600 -43.1619 10.311 -22.5027 12.7878 35.4999 -64.4965 -27.5629 -66.3871 -12.8164 TIMING: 2313600 CPU: 6713.22, 0.00291666/step Wall: 6713.22, 0.00291666/step, 2.17647 hours remaining, 206.386719 MB of memory in use. ENERGY: 2313600 751.4353 2093.9825 1942.6388 107.1216 -205964.1748 17647.5366 0.0000 0.0000 34460.9111 -148960.5490 300.9557 -183421.4600 -148885.4502 299.7768 -161.5018 -129.1555 558380.0773 -6.8660 -6.8261 PRESSURE: 2313800 69.5145 5.63961 69.438 5.63827 -32.6664 25.535 69.4365 25.5335 -153.479 GPRESSURE: 2313800 96.5689 -80.0114 28.1705 79.6086 13.7876 45.9237 115.027 -75.3826 -118.86 PRESSAVG: 2313800 3.57393 12.64 30.9142 12.6399 -4.04805 46.1045 30.9142 46.1045 -22.9649 GPRESSAVG: 2313800 2.09455 14.4041 28.4041 10.2998 -3.01561 41.2879 33.273 45.9407 -22.1418 TIMING: 2313800 CPU: 6713.8, 0.0029004/step Wall: 6713.8, 0.0029004/step, 2.16418 hours remaining, 206.386719 MB of memory in use. ENERGY: 2313800 762.0078 2030.5886 1995.0660 104.6558 -206105.4497 17936.5755 0.0000 0.0000 34228.7823 -149047.7736 298.9285 -183276.5559 -148954.6167 300.2607 -38.8768 -2.8345 558337.3741 -7.8130 -7.6876 PRESSURE: 2314000 76.2412 -9.5745 -16.32 -9.57507 115.891 14.3684 -16.3201 14.3667 -55.2694 GPRESSURE: 2314000 93.0254 -14.8526 -6.94256 5.29892 153.685 -48.6608 -45.9463 95.5041 -4.58547 PRESSAVG: 2314000 37.5853 24.8347 -44.786 24.8346 -8.60252 10.3997 -44.7861 10.3998 -31.0876 GPRESSAVG: 2314000 38.7835 25.9049 -45.1078 26.1236 -9.21632 12.4469 -46.3646 10.4894 -31.4979 TIMING: 2314000 CPU: 6714.38, 0.00290805/step Wall: 6714.38, 0.00290805/step, 2.16973 hours remaining, 206.386719 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: 2314000 752.4369 2080.0221 1959.7652 109.5689 -205917.4583 17868.9452 0.0000 0.0000 34238.2327 -148908.4872 299.0110 -183146.7200 -148811.8800 300.0471 45.6210 80.7082 558944.1817 -0.7016 -0.6436 PRESSURE: 2314200 -103.382 6.0341 98.867 6.03479 93.5116 -87.0921 98.8678 -87.0923 58.5069 GPRESSURE: 2314200 -61.0542 86.7646 77.4337 -59.9344 84.8885 -141.306 84.4113 -80.776 115.239 PRESSAVG: 2314200 -12.9837 -15.0464 -39.0611 -15.0463 -21.6319 -39.8353 -39.0612 -39.8353 68.0133 GPRESSAVG: 2314200 -13.0776 -17.5071 -39.1487 -15.601 -21.9229 -39.3271 -36.4437 -41.2575 68.2352 TIMING: 2314200 CPU: 6714.96, 0.00289863/step Wall: 6714.96, 0.00289863/step, 2.16254 hours remaining, 206.386719 MB of memory in use. ENERGY: 2314200 765.3300 2101.8793 1952.5182 105.5530 -206027.1653 17750.7041 0.0000 0.0000 34312.0076 -149039.1730 299.6553 -183351.1806 -148941.3231 299.9821 16.2121 46.3577 556527.0804 11.1326 11.0782 PRESSURE: 2314400 -50.3548 -84.8089 -65.6483 -84.8094 -60.0781 -28.9738 -65.6486 -28.9751 -215.327 GPRESSURE: 2314400 5.4879 -97.5013 -14.2416 -73.1416 -68.8011 -44.2986 -185.324 -55.0839 -162.893 PRESSAVG: 2314400 51.66 -30.207 -19.1285 -30.207 -54.411 -29.4025 -19.1285 -29.4025 -10.1747 GPRESSAVG: 2314400 52.3285 -28.9789 -16.5974 -31.3247 -54.1378 -29.923 -20.5819 -28.047 -10.6847 TIMING: 2314400 CPU: 6715.54, 0.00291161/step Wall: 6715.54, 0.00291161/step, 2.17206 hours remaining, 206.386719 MB of memory in use. ENERGY: 2314400 765.0751 2083.1978 1980.4607 110.6568 -205974.8983 17729.6435 0.0000 0.0000 33960.4259 -149345.4386 296.5848 -183305.8646 -149250.0613 299.1950 -108.5867 -75.4022 557797.1486 -4.3086 -4.1647 PRESSURE: 2314600 -94.5095 -29.6709 -39.0757 -29.6711 193.039 128.05 -39.076 128.051 -109.249 GPRESSURE: 2314600 -111.845 -18.3106 -62.9953 -39.98 245.709 111.829 -33.0432 186.894 -52.7664 PRESSAVG: 2314600 -48.5542 -25.8715 -37.6785 -25.8715 55.6101 35.7222 -37.6785 35.7223 -85.4629 GPRESSAVG: 2314600 -48.5854 -27.0587 -38.1813 -25.2501 55.3208 35.5352 -38.4607 36.8943 -84.8815 TIMING: 2314600 CPU: 6716.12, 0.00291329/step Wall: 6716.12, 0.00291329/step, 2.17315 hours remaining, 206.386719 MB of memory in use. ENERGY: 2314600 742.1865 2007.6457 1974.5200 115.0550 -205869.6120 17606.5898 0.0000 0.0000 34150.2633 -149273.3517 298.2427 -183423.6150 -149174.3583 298.1455 -3.5730 27.0324 556905.4836 -26.1357 -26.0487 PRESSURE: 2314800 -228.623 -97.0298 39.1127 -97.0297 82.4269 85.7023 39.1125 85.7034 -86.1386 GPRESSURE: 2314800 -180.878 -67.9053 -45.3386 -60.6441 69.3019 109.042 59.748 106.809 -37.2684 PRESSAVG: 2314800 24.5243 -67.6469 33.4112 -67.6469 -18.7895 -15.4932 33.4112 -15.4933 26.8703 GPRESSAVG: 2314800 23.7116 -66.9974 31.6547 -67.0899 -18.127 -15.1288 35.6374 -15.6729 26.6583 TIMING: 2314800 CPU: 6716.71, 0.00291525/step Wall: 6716.71, 0.00291525/step, 2.17445 hours remaining, 206.386719 MB of memory in use. ENERGY: 2314800 758.2116 2027.3459 1963.5378 116.0414 -205852.7437 17633.2891 0.0000 0.0000 34098.8776 -149255.4403 297.7940 -183354.3179 -149159.8215 298.5332 -77.4449 -49.6147 557000.2507 10.8684 10.7476 PRESSURE: 2315000 99.3194 -68.2439 -90.8685 -68.2437 78.5451 -53.1064 -90.8691 -53.1066 -229.772 GPRESSURE: 2315000 110.671 79.5236 -87.7234 -102.163 67.9332 -44.8431 -68.4407 -80.3163 -145.75 PRESSAVG: 2315000 39.1559 -44.0154 -22.2713 -44.0153 18.3837 16.669 -22.2714 16.6689 -21.8986 GPRESSAVG: 2315000 38.4265 -43.3914 -22.6748 -44.4213 18.9991 15.0446 -22.588 16.8682 -21.6391 TIMING: 2315000 CPU: 6717.29, 0.00293451/step Wall: 6717.29, 0.00293451/step, 2.18865 hours remaining, 206.386719 MB of memory in use. ENERGY: 2315000 740.9721 2106.9967 1982.3407 102.2771 -206179.2328 17833.5322 0.0000 0.0000 34262.8172 -149150.2968 299.2257 -183413.1140 -149054.2092 299.2001 -17.3024 10.9513 557440.5877 11.8803 11.9288 PRESSURE: 2315200 143.809 -13.6325 -60.1731 -13.6324 -42.2569 103.643 -60.1744 103.643 102.625 GPRESSURE: 2315200 216.936 -16.2226 -50.502 34.7559 -16.454 36.8656 -56.3701 53.6207 103.864 PRESSAVG: 2315200 25.754 23.3993 11.2686 23.3993 25.5448 -37.8465 11.2685 -37.8464 -70.7892 GPRESSAVG: 2315200 26.7451 23.5108 13.1269 24.1514 25.5778 -35.2886 9.92677 -38.5321 -72.2033 TIMING: 2315200 CPU: 6717.87, 0.00289636/step Wall: 6717.87, 0.00289636/step, 2.16004 hours remaining, 206.386719 MB of memory in use. ENERGY: 2315200 717.4226 2072.4967 1955.0964 121.3787 -206812.6255 18167.9347 0.0000 0.0000 34576.4484 -149201.8480 301.9647 -183778.2965 -149102.5350 298.9971 68.0592 101.4487 556297.2841 -6.4968 -6.6268 PRESSURE: 2315400 55.9876 -99.3573 -102.795 -99.3581 109.091 -66.6541 -102.795 -66.6557 285.1 GPRESSURE: 2315400 112.607 -106.759 -92.9331 -127.163 70.8136 -63.4597 -146.84 -2.18321 356.355 PRESSAVG: 2315400 -3.85067 13.575 -21.6362 13.5751 -11.8855 7.43529 -21.6363 7.43534 35.3172 GPRESSAVG: 2315400 -3.91116 12.8159 -22.8211 12.9062 -13.3988 6.25063 -22.2709 9.1484 36.5395 TIMING: 2315400 CPU: 6718.45, 0.00288514/step Wall: 6718.45, 0.00288514/step, 2.15151 hours remaining, 206.386719 MB of memory in use. ENERGY: 2315400 704.5547 2165.7129 1991.5312 120.7788 -206676.0220 18100.0669 0.0000 0.0000 34414.6157 -149178.7617 300.5514 -183593.3774 -149075.9455 299.7788 150.0596 179.9251 555764.8849 6.5270 6.4099 PRESSURE: 2315600 191.034 -61.7735 97.2505 -61.7741 48.329 -154.883 97.2502 -154.882 35.224 GPRESSURE: 2315600 256.378 -52.2597 2.33845 3.43327 81.8521 -161.562 146.886 -190.939 39.633 PRESSAVG: 2315600 -9.7967 -30.8581 15.9411 -30.8581 29.3061 -47.6571 15.941 -47.6569 -10.8137 GPRESSAVG: 2315600 -10.1406 -31.5129 16.7646 -29.519 29.287 -47.722 17.5867 -49.1336 -10.7231 TIMING: 2315600 CPU: 6719.03, 0.00290493/step Wall: 6719.03, 0.00290493/step, 2.16611 hours remaining, 206.386719 MB of memory in use. ENERGY: 2315600 750.7100 2071.3639 1923.8007 108.8130 -206353.7630 18041.2469 0.0000 0.0000 34236.9779 -149220.8506 299.0000 -183457.8285 -149121.6662 299.6790 91.5290 125.9545 556939.1598 2.8986 2.8077 PRESSURE: 2315800 -283.114 141.089 87.9647 141.088 -25.2899 156.605 87.9625 156.605 150.556 GPRESSURE: 2315800 -225.14 126.865 36.0367 203.116 -7.28659 181.372 145.188 48.8761 165.87 PRESSAVG: 2315800 1.1055 3.99449 34.4361 3.99444 -56.1931 3.27234 34.4361 3.27218 75.8894 GPRESSAVG: 2315800 -0.353408 7.04443 33.4947 3.65819 -55.159 3.09573 33.6615 2.23599 76.7519 TIMING: 2315800 CPU: 6719.62, 0.00292678/step Wall: 6719.62, 0.00292678/step, 2.18224 hours remaining, 206.386719 MB of memory in use. ENERGY: 2315800 771.4119 2095.6448 1939.7256 96.3245 -206204.1120 17785.1359 0.0000 0.0000 34329.1303 -149186.7391 299.8048 -183515.8694 -149096.2980 298.5372 -52.6160 -22.1856 558004.1948 6.9339 7.0798 PRESSURE: 2316000 99.1031 29.3893 -130.662 29.3889 383.076 13.1379 -130.66 13.1374 234.567 GPRESSURE: 2316000 129.537 -28.9799 -193.303 30.4343 417.276 89.6393 -35.7149 -33.0108 282.429 PRESSAVG: 2316000 4.33098 31.1461 -12.7597 31.1461 13.2378 10.5894 -12.7596 10.5894 9.83788 GPRESSAVG: 2316000 5.13172 26.7571 -13.3958 31.5988 12.2355 11.4211 -10.8406 12.0581 10.1708 TIMING: 2316000 CPU: 6720.2, 0.00289364/step Wall: 6720.2, 0.00289364/step, 2.15737 hours remaining, 206.589844 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: 2316000 749.6186 2031.2078 1925.2149 122.0939 -206447.5056 18214.8705 0.0000 0.0000 34219.9645 -149184.5355 298.8515 -183404.4999 -149090.4623 299.3599 238.9155 276.4136 556954.8143 9.1356 9.1793 PRESSURE: 2316200 32.631 -39.6707 -54.7315 -39.6702 8.75937 -31.2524 -54.731 -31.2523 385.068 GPRESSURE: 2316200 138.99 -35.5272 -41.1129 -31.2376 47.5609 60.3256 -60.191 -89.1678 336.061 PRESSAVG: 2316200 -79.9555 6.75624 -27.1524 6.75624 53.1329 31.2147 -27.1523 31.2146 39.2581 GPRESSAVG: 2316200 -80.1018 8.6227 -25.1258 5.87739 54.1381 30.423 -28.3933 31.6501 38.2486 TIMING: 2316200 CPU: 6720.78, 0.00291918/step Wall: 6720.78, 0.00291918/step, 2.17625 hours remaining, 206.589844 MB of memory in use. ENERGY: 2316200 695.1930 2118.1361 1981.1515 115.1573 -206472.3453 17903.6804 0.0000 0.0000 34381.8896 -149277.1374 300.2656 -183659.0270 -149186.4826 299.1857 142.1529 174.2040 557402.4003 4.1452 4.0950 LDB: ============= START OF LOAD BALANCING ============== 6724.25 LDB: ============== END OF LOAD BALANCING =============== 6724.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6724.25 LDB: ============= START OF LOAD BALANCING ============== 6724.54 LDB: Largest compute 4821 load 0.028179 is 23.9% of average load 0.117703 LDB: Average compute 0.001725 is 1.5% of average load 0.117703 LDB: TIME 6724.54 LOAD: AVG 0.117703 MAX 0.179179 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.297 MB LDB: TIME 6724.54 LOAD: AVG 0.117703 MAX 0.179179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.5 MB LDB: TIME 6724.54 LOAD: AVG 0.117703 MAX 0.179179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.5 MB LDB: ============== END OF LOAD BALANCING =============== 6724.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6724.55 PRESSURE: 2316400 -29.3432 -149.265 90.8582 -149.264 -8.11136 -35.9154 90.8576 -35.9138 -234.852 GPRESSURE: 2316400 52.8225 -167.93 23.4308 -154.732 -86.5346 22.1979 189.88 -68.5946 -153.238 PRESSAVG: 2316400 35.1142 -30.9689 27.4628 -30.9689 5.5586 -9.71211 27.4629 -9.71223 4.44734 GPRESSAVG: 2316400 34.7679 -31.6632 27.6684 -29.893 5.22511 -8.68404 25.8535 -9.00372 5.40307 TIMING: 2316400 CPU: 6721.37, 0.00295709/step Wall: 6721.37, 0.00295709/step, 2.20435 hours remaining, 208.191406 MB of memory in use. ENERGY: 2316400 739.6957 2077.5318 1962.1784 109.7474 -206284.2159 17787.7277 0.0000 0.0000 34182.0911 -149425.2438 298.5207 -183607.3349 -149323.5417 298.2829 -90.7689 -62.3166 557255.5906 15.0401 15.1320 PRESSURE: 2316600 -247.604 7.87119 129.177 7.8698 -247.571 -189.092 129.178 -189.091 -271.686 GPRESSURE: 2316600 -249.852 -19.7793 110.891 41.3494 -212.369 -156.41 143.874 -212.574 -211.658 PRESSAVG: 2316600 -23.2229 -31.3216 22.0371 -31.3216 0.31696 -67.0378 22.0372 -67.0377 29.3237 GPRESSAVG: 2316600 -22.5167 -28.8698 22.0635 -34.7171 0.322676 -68.3653 22.4247 -66.8779 28.8578 TIMING: 2316600 CPU: 6721.95, 0.0029102/step Wall: 6721.95, 0.0029102/step, 2.16923 hours remaining, 208.394531 MB of memory in use. ENERGY: 2316600 737.3301 2129.1050 1966.6244 106.9808 -205866.6367 17410.2090 0.0000 0.0000 34347.0995 -149169.2879 299.9618 -183516.3873 -149065.9494 299.1094 -255.6205 -224.6261 558813.8291 2.1393 2.2213 PRESSURE: 2316800 256.004 -99.4969 93.3223 -99.4974 -124.241 27.9774 93.3225 27.9772 165.354 GPRESSURE: 2316800 297.972 -107.529 67.6332 -136.174 -66.5081 120.756 98.8721 -64.5147 166.843 PRESSAVG: 2316800 -30.5375 2.8211 -26.5133 2.82103 1.21618 -22.6432 -26.5134 -22.6432 18.7638 GPRESSAVG: 2316800 -30.57 2.50232 -26.3422 3.84619 0.813298 -22.8658 -25.7594 -22.4542 19.0322 TIMING: 2316800 CPU: 6722.53, 0.00289943/step Wall: 6722.53, 0.00289943/step, 2.16104 hours remaining, 208.394531 MB of memory in use. ENERGY: 2316800 737.3055 2047.0235 1970.5807 101.5101 -206350.2325 17963.5630 0.0000 0.0000 34265.5277 -149264.7220 299.2494 -183530.2497 -149174.5182 299.2498 99.0387 132.7690 556446.9952 -3.5192 -3.5749 PRESSURE: 2317000 243.03 229.396 -35.5915 229.397 -41.1988 -6.86115 -35.5914 -6.86087 120.665 GPRESSURE: 2317000 282.17 194.43 -150.382 181.635 24.145 131.185 13.8447 -159.532 106.314 PRESSAVG: 2317000 -13.1082 -37.7966 -35.8097 -37.7965 57.0461 23.6322 -35.8097 23.6321 2.87957 GPRESSAVG: 2317000 -12.1678 -38.7416 -36.6271 -37.258 56.4701 24.847 -37.0719 21.2969 2.56203 TIMING: 2317000 CPU: 6723.11, 0.0028965/step Wall: 6723.11, 0.0028965/step, 2.1587 hours remaining, 208.394531 MB of memory in use. ENERGY: 2317000 724.0546 2087.9917 1952.4033 120.2132 -206248.0493 17958.8504 0.0000 0.0000 34208.9792 -149195.5569 298.7555 -183404.5361 -149098.3608 298.8961 107.4987 137.5429 555969.0600 15.6058 15.6215 PRESSURE: 2317200 -77.4613 -88.8229 -76.8274 -88.823 -343.795 -50.7302 -76.8269 -50.7306 6.16728 GPRESSURE: 2317200 -91.0771 -96.0322 -190.097 9.16499 -251.249 -65.4887 6.22936 -20.8341 23.5089 PRESSAVG: 2317200 35.3223 -48.5758 12.8569 -48.5758 -28.1868 7.82876 12.8569 7.82853 4.38765 GPRESSAVG: 2317200 33.97 -50.3781 11.9256 -48.1913 -27.7993 8.94924 14.9021 8.31256 5.31198 TIMING: 2317200 CPU: 6723.69, 0.00289512/step Wall: 6723.69, 0.00289512/step, 2.15751 hours remaining, 208.394531 MB of memory in use. ENERGY: 2317200 773.4841 2080.5293 1948.9848 121.6054 -205782.7825 17607.9214 0.0000 0.0000 34116.2452 -149134.0123 297.9457 -183250.2575 -149035.8654 298.9856 -138.3629 -106.2723 557547.9888 3.8411 3.8275 PRESSURE: 2317400 -472.327 49.6696 -168.224 49.6694 -173.699 2.69371 -168.223 2.69414 -54.7298 GPRESSURE: 2317400 -434.733 118.27 -113.862 56.5866 -129.183 5.14364 -209.94 11.6434 -38.385 PRESSAVG: 2317400 16.1816 -10.5744 -14.2919 -10.5744 -109.763 -21.2382 -14.2919 -21.2382 70.0236 GPRESSAVG: 2317400 16.3437 -8.4346 -13.4654 -9.87663 -109.032 -21.4127 -16.8389 -21.0213 69.3634 TIMING: 2317400 CPU: 6724.27, 0.00290946/step Wall: 6724.27, 0.00290946/step, 2.16803 hours remaining, 208.394531 MB of memory in use. ENERGY: 2317400 766.5956 2051.6978 1972.5543 118.1805 -205718.2204 17366.8565 0.0000 0.0000 34109.4299 -149332.9057 297.8861 -183442.3356 -149233.0802 299.0263 -233.5851 -200.7670 557459.0880 -7.8527 -7.7749 PRESSURE: 2317600 -246.199 44.878 -124.726 44.8784 -136.034 -52.4904 -124.726 -52.4892 119.492 GPRESSURE: 2317600 -195.914 124.468 -164.838 -5.13434 -64.6826 -96.2009 -122.466 -43.5889 102.204 PRESSAVG: 2317600 -37.1148 -31.9944 -19.6756 -31.9943 13.1093 -33.1455 -19.6757 -33.1456 66.2733 GPRESSAVG: 2317600 -36.4607 -32.7353 -20.144 -33.9722 12.3238 -33.8318 -17.8709 -33.8218 66.7171 TIMING: 2317600 CPU: 6724.86, 0.00291916/step Wall: 6724.86, 0.00291916/step, 2.1751 hours remaining, 208.394531 MB of memory in use. ENERGY: 2317600 713.9844 2105.6389 1930.2924 108.1067 -205844.2895 17559.8176 0.0000 0.0000 34085.0028 -149341.4467 297.6728 -183426.4494 -149240.4320 299.1210 -87.5801 -52.7977 557581.9704 14.0893 14.1934 PRESSURE: 2317800 -100.993 -4.96175 -183.215 -4.96293 -244.066 -20.571 -183.215 -20.5717 -203.684 GPRESSURE: 2317800 -49.5581 -21.3587 -176.245 9.7752 -241.606 -62.9602 -149.742 0.028018 -151.026 PRESSAVG: 2317800 -17.4911 2.36508 -68.9092 2.36517 -39.0917 -24.1508 -68.9092 -24.1508 82.3465 GPRESSAVG: 2317800 -17.1575 -0.183821 -68.3161 4.66529 -39.2804 -26.3105 -67.8889 -23.7633 82.2221 TIMING: 2317800 CPU: 6725.43, 0.00288841/step Wall: 6725.43, 0.00288841/step, 2.15202 hours remaining, 208.394531 MB of memory in use. ENERGY: 2317800 759.1441 2088.5901 1940.6415 113.5220 -206236.3623 17673.6079 0.0000 0.0000 34102.0555 -149558.8011 297.8217 -183660.8566 -149463.5348 298.2055 -182.9144 -147.3966 558008.0212 8.5879 8.5947 PRESSURE: 2318000 111.383 -93.5472 -73.0174 -93.546 -300.25 50.3845 -73.0162 50.3825 -338.994 GPRESSURE: 2318000 181.117 -94.1 -13.9423 -28.2896 -296.324 27.4776 -57.5136 31.7449 -305.577 PRESSAVG: 2318000 28.6782 24.3129 -28.2892 24.313 -54.5099 19.8039 -28.2892 19.8038 19.0793 GPRESSAVG: 2318000 27.5283 26.2508 -28.5225 22.9104 -54.3413 20.5429 -30.2319 20.8364 20.2996 TIMING: 2318000 CPU: 6726.01, 0.00287295/step Wall: 6726.01, 0.00287295/step, 2.14035 hours remaining, 208.394531 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: 2318000 749.1792 2040.4313 1926.8057 116.3991 -206007.6386 17605.9266 0.0000 0.0000 34045.4895 -149523.4073 297.3277 -183568.8967 -149417.9219 297.9471 -175.9538 -140.2616 557662.5826 -2.2508 -2.1711 PRESSURE: 2318200 -18.5544 -97.4596 77.2046 -97.46 -65.2502 194.732 77.2056 194.731 -152.161 GPRESSURE: 2318200 1.91355 -164.459 22.3421 -51.4178 -51.5929 63.5014 141.645 214.116 -93.5809 PRESSAVG: 2318200 1.36331 8.41443 -61.5147 8.41451 -6.41005 48.8641 -61.5147 48.8641 3.88265 GPRESSAVG: 2318200 3.40341 8.66482 -61.5739 8.35393 -6.0524 50.3859 -60.1587 47.5478 1.50073 TIMING: 2318200 CPU: 6726.59, 0.00289688/step Wall: 6726.59, 0.00289688/step, 2.15802 hours remaining, 208.394531 MB of memory in use. ENERGY: 2318200 749.8976 2080.8662 1946.0059 113.2213 -206228.7708 17740.8072 0.0000 0.0000 34231.9741 -149365.9984 298.9563 -183597.9725 -149268.6940 298.8992 -78.6551 -47.7534 557672.9547 -0.3880 -0.3828 PRESSURE: 2318400 47.8385 166.573 -45.6807 166.573 61.347 6.4233 -45.681 6.42128 -62.2452 GPRESSURE: 2318400 32.0933 125.642 -134.126 219.202 91.5775 21.1906 -18.6349 -41.9974 20.7156 PRESSAVG: 2318400 27.0455 10.2134 5.11449 10.2134 6.66374 37.644 5.11452 37.6441 -45.802 GPRESSAVG: 2318400 27.3278 11.2831 4.86931 9.95537 6.41443 36.7129 7.24871 38.3118 -46.1395 TIMING: 2318400 CPU: 6727.17, 0.00288947/step Wall: 6727.17, 0.00288947/step, 2.15234 hours remaining, 208.394531 MB of memory in use. ENERGY: 2318400 727.3592 2113.6790 1930.1305 124.8113 -206309.9988 17862.9124 0.0000 0.0000 34119.1645 -149431.9419 297.9711 -183551.1064 -149341.1674 298.7532 15.6468 48.1288 556493.8576 -4.0309 -4.1324 PRESSURE: 2318600 -49.3049 -36.9056 32.8728 -36.9051 -15.7652 -132.921 32.8721 -132.921 144.665 GPRESSURE: 2318600 -25.161 6.91479 55.1588 -51.6356 46.2407 -82.8506 -29.7038 -91.9788 154.819 PRESSAVG: 2318600 16.7139 -20.7055 -3.41537 -20.7054 -31.2509 34.4063 -3.41536 34.4062 6.88608 GPRESSAVG: 2318600 16.7171 -20.9338 -3.00471 -18.7933 -31.1634 35.3623 -4.96439 34.8537 6.957 TIMING: 2318600 CPU: 6727.74, 0.00287559/step Wall: 6727.74, 0.00287559/step, 2.14184 hours remaining, 208.394531 MB of memory in use. ENERGY: 2318600 762.8979 2110.0405 1938.0396 110.9361 -206520.7870 18008.7855 0.0000 0.0000 34435.2894 -149154.7980 300.7319 -183590.0874 -149057.9594 298.2693 26.5317 58.6331 558573.8236 -2.5503 -2.4964 PRESSURE: 2318800 201.804 -144.079 -155.06 -144.077 -237.217 -85.5339 -155.06 -85.5325 -268.387 GPRESSURE: 2318800 217.024 -195.254 -141.252 -86.9858 -174.731 64.1819 -171.517 -147.416 -247.312 PRESSAVG: 2318800 27.4641 4.43832 8.61926 4.43833 -30.908 -5.63014 8.61931 -5.63009 21.3537 GPRESSAVG: 2318800 26.5838 5.95184 8.25681 2.5739 -30.6633 -6.38524 6.79313 -5.38519 22.0893 TIMING: 2318800 CPU: 6728.33, 0.00291696/step Wall: 6728.33, 0.00291696/step, 2.17249 hours remaining, 208.394531 MB of memory in use. ENERGY: 2318800 742.4842 2146.3022 1945.8216 117.2623 -206287.7258 17721.6673 0.0000 0.0000 34412.1151 -149202.0733 300.5296 -183614.1884 -149110.0304 299.3831 -101.2667 -68.3397 557171.4859 5.9700 6.0033 PRESSURE: 2319000 -49.8812 -96.6092 -186.491 -96.6098 -154.703 55.931 -186.491 55.9326 -333.357 GPRESSURE: 2319000 -94.8098 -74.7495 -75.1771 -56.1533 -54.2634 120.186 -146.452 -42.572 -280.218 PRESSAVG: 2319000 8.2061 31.6315 -8.2442 31.6315 -28.0757 -44.3426 -8.24422 -44.3426 9.99841 GPRESSAVG: 2319000 7.05048 31.0673 -7.72993 30.1954 -28.1483 -42.4956 -8.003 -45.3136 10.2647 TIMING: 2319000 CPU: 6728.9, 0.00289498/step Wall: 6728.9, 0.00289498/step, 2.15596 hours remaining, 208.394531 MB of memory in use. ENERGY: 2319000 756.4453 2064.0266 1964.2288 120.2511 -206056.3696 17557.2240 0.0000 0.0000 34408.5494 -149185.6444 300.4984 -183594.1938 -149085.6946 299.3094 -179.3138 -143.0970 558036.4573 -3.2904 -3.6111 PRESSURE: 2319200 -172.495 -168.148 -4.49834 -168.148 -91.5336 109.515 -4.49826 109.513 -157.771 GPRESSURE: 2319200 -157.301 -149.635 1.8642 -168.049 -72.9281 96.4799 19.9597 103.488 -90.6887 PRESSAVG: 2319200 96.1422 12.1577 -7.23058 12.1576 -30.9116 78.9271 -7.23061 78.9272 -32.1367 GPRESSAVG: 2319200 96.338 13.3705 -4.69312 11.4106 -30.9621 76.9409 -8.47186 79.0988 -31.8163 TIMING: 2319200 CPU: 6729.48, 0.00289679/step Wall: 6729.48, 0.00289679/step, 2.15714 hours remaining, 208.394531 MB of memory in use. ENERGY: 2319200 739.5628 2097.5938 1927.1908 124.1231 -205817.8981 17407.7690 0.0000 0.0000 34277.7397 -149243.9189 299.3560 -183521.6585 -149135.4555 298.6106 -140.5999 -106.9726 558067.6356 11.0313 11.1865 PRESSURE: 2319400 69.3936 23.8663 -23.0474 23.8681 101.398 -15.4441 -23.0466 -15.4456 -130.499 GPRESSURE: 2319400 104.267 95.9613 -92.9428 91.0119 119.291 2.23178 -59.3431 -49.3155 -87.5276 PRESSAVG: 2319400 26.175 4.39236 40.4568 4.39239 -38.307 -32.3881 40.4568 -32.388 -7.1896 GPRESSAVG: 2319400 26.8723 2.36698 35.7752 5.782 -38.3063 -33.7913 42.6277 -30.0071 -8.45636 TIMING: 2319400 CPU: 6730.07, 0.00291342/step Wall: 6730.07, 0.00291342/step, 2.16937 hours remaining, 208.394531 MB of memory in use. ENERGY: 2319400 750.6706 2106.3502 1956.0187 124.7213 -206178.4130 17807.6842 0.0000 0.0000 34139.4571 -149293.5110 298.1484 -183432.9681 -149203.0327 298.5039 13.4309 45.3435 556179.2413 -6.4405 -6.6301 PRESSURE: 2319600 -125.103 -20.7528 -42.9738 -20.7527 226.914 -43.7242 -42.9735 -43.7232 -94.5709 GPRESSURE: 2319600 -80.9392 -2.8444 -37.701 -4.11471 229.753 -90.7685 23.7118 6.52936 -39.2799 PRESSAVG: 2319600 6.34548 34.9217 57.2903 34.9217 -8.96871 8.76138 57.2903 8.76151 6.2439 GPRESSAVG: 2319600 5.51394 34.8281 58.3493 36.1458 -8.68555 11.2781 57.8684 7.12279 6.88277 TIMING: 2319600 CPU: 6730.64, 0.00288627/step Wall: 6730.64, 0.00288627/step, 2.14899 hours remaining, 208.394531 MB of memory in use. ENERGY: 2319600 735.3782 2135.9504 1948.8475 117.0681 -206521.1817 17863.0743 0.0000 0.0000 34293.1246 -149427.7385 299.4904 -183720.8632 -149335.5868 298.6896 2.4133 36.5112 557079.4530 1.2069 1.2371 PRESSURE: 2319800 36.1734 262.652 -109.575 262.652 128.358 123.978 -109.575 123.977 22.4591 GPRESSURE: 2319800 51.438 196.38 -153.473 278.959 136.409 51.0457 -16.8505 155.79 89.7655 PRESSAVG: 2319800 -20.2119 37.3711 4.45125 37.3711 88.2966 16.9508 4.45129 16.9507 -98.577 GPRESSAVG: 2319800 -19.6408 36.6586 4.2641 37.7655 88.0265 17.8987 4.05333 15.7608 -98.6539 TIMING: 2319800 CPU: 6731.22, 0.00288904/step Wall: 6731.22, 0.00288904/step, 2.15089 hours remaining, 208.394531 MB of memory in use. ENERGY: 2319800 746.9335 2135.3392 1976.5841 118.8030 -206459.1137 17933.3509 0.0000 0.0000 34218.1511 -149329.9519 298.8356 -183548.1030 -149227.5233 298.8896 62.3302 92.5373 558862.9697 -10.1641 -10.0894 PRESSURE: 2320000 279.329 -109.265 -134.218 -109.265 372.217 -124.719 -134.22 -124.718 96.9457 GPRESSURE: 2320000 257.107 -131.833 -87.6364 -102.541 390.059 -120.486 -181.981 -159.48 190.669 PRESSAVG: 2320000 -57.903 26.4374 -22.3311 26.4373 5.83091 -27.9856 -22.331 -27.9856 40.6393 GPRESSAVG: 2320000 -57.7251 27.9257 -20.7354 25.4644 5.36544 -29.3305 -23.8209 -27.8374 41.1899 TIMING: 2320000 CPU: 6731.8, 0.00288543/step Wall: 6731.8, 0.00288543/step, 2.14804 hours remaining, 208.394531 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: 2320000 703.2787 2147.9449 1975.8408 115.6531 -206638.5652 18137.0655 0.0000 0.0000 34241.0395 -149317.7427 299.0355 -183558.7822 -149219.7799 297.7240 249.4971 279.2780 557563.3886 -3.8109 -3.7232 PRESSURE: 2320200 66.2197 -82.2048 41.2341 -82.2047 43.3285 28.0017 41.2348 28.0018 47.8415 GPRESSURE: 2320200 103.596 -151.817 58.118 -76.4379 42.6818 33.9848 7.89776 -48.3189 93.9319 PRESSAVG: 2320200 29.0344 -7.91392 -35.9606 -7.91394 46.0545 -15.6808 -35.9605 -15.6808 -56.1774 GPRESSAVG: 2320200 29.6835 -11.0948 -37.8216 -6.69015 46.3002 -16.3936 -34.6306 -15.03 -57.075 TIMING: 2320200 CPU: 6732.37, 0.00287724/step Wall: 6732.37, 0.00287724/step, 2.14179 hours remaining, 208.394531 MB of memory in use. ENERGY: 2320200 722.4842 2094.8900 1914.3754 108.1671 -206196.7063 17811.5871 0.0000 0.0000 34318.6217 -149226.5808 299.7131 -183545.2025 -149128.4546 299.7913 52.4632 80.0699 556552.0623 6.3038 6.3029 LDB: ============= START OF LOAD BALANCING ============== 6735.84 LDB: ============== END OF LOAD BALANCING =============== 6735.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6735.84 LDB: ============= START OF LOAD BALANCING ============== 6736.13 LDB: Largest compute 4821 load 0.030288 is 25.7% of average load 0.117711 LDB: Average compute 0.001729 is 1.5% of average load 0.117711 LDB: TIME 6736.13 LOAD: AVG 0.117711 MAX 0.177533 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.617 MB LDB: TIME 6736.13 LOAD: AVG 0.117711 MAX 0.177533 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: TIME 6736.13 LOAD: AVG 0.117711 MAX 0.177533 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: ============== END OF LOAD BALANCING =============== 6736.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6736.14 PRESSURE: 2320400 -39.1332 62.2225 -17.1343 62.2226 2.70076 115.131 -17.1316 115.13 -53.3231 GPRESSURE: 2320400 6.50875 -14.2565 15.5116 71.1188 43.8882 33.0575 -52.584 104.562 -46.1539 PRESSAVG: 2320400 31.0293 16.0553 -2.46931 16.0553 -3.79249 -18.4155 -2.46924 -18.4154 -29.9832 GPRESSAVG: 2320400 30.1344 18.9933 -0.66285 15.1959 -2.97009 -18.3469 -2.6716 -18.633 -30.0149 TIMING: 2320400 CPU: 6732.96, 0.00294356/step Wall: 6732.96, 0.00294356/step, 2.19099 hours remaining, 205.632812 MB of memory in use. ENERGY: 2320400 724.7876 2079.8658 1915.0407 125.7542 -206110.3161 17592.1224 0.0000 0.0000 34478.6221 -149194.1233 301.1104 -183672.7454 -149090.2879 299.0051 -29.9185 1.4143 556454.9742 -0.9155 -0.9502 PRESSURE: 2320600 334.464 -110.611 -35.5745 -110.611 5.12721 160.282 -35.5755 160.282 91.1154 GPRESSURE: 2320600 368.742 -48.2973 -62.4057 -84.1926 69.1976 118.548 6.65008 128.422 86.2655 PRESSAVG: 2320600 35.5869 -3.19927 46.0648 -3.1993 -16.9051 22.1167 46.0648 22.1167 4.66026 GPRESSAVG: 2320600 35.3734 -3.94017 45.924 -3.18001 -16.8582 22.204 45.2538 19.2264 4.24575 TIMING: 2320600 CPU: 6733.54, 0.00289846/step Wall: 6733.54, 0.00289846/step, 2.15726 hours remaining, 206.078125 MB of memory in use. ENERGY: 2320600 706.1297 2109.1072 1965.0305 118.6076 -206314.5844 17862.8117 0.0000 0.0000 34304.8963 -149248.0013 299.5932 -183552.8976 -149157.2535 299.1617 143.5687 174.7352 556453.2241 7.7807 7.5870 PRESSURE: 2320800 108.101 91.5174 -78.0382 91.5173 -159.404 215.554 -78.0377 215.555 -235.605 GPRESSURE: 2320800 157.767 121.854 35.7734 59.424 -160.513 158.523 -165.601 324.606 -187.663 PRESSAVG: 2320800 76.0501 19.1468 51.2991 19.1468 -61.3329 23.2056 51.2992 23.2056 5.51748 GPRESSAVG: 2320800 75.936 18.3775 51.7456 19.8401 -62.7336 23.1847 50.5166 26.7667 6.85442 TIMING: 2320800 CPU: 6734.12, 0.00289422/step Wall: 6734.12, 0.00289422/step, 2.15394 hours remaining, 206.078125 MB of memory in use. ENERGY: 2320800 736.4217 2106.2942 1927.5238 106.6790 -205828.2012 17583.9882 0.0000 0.0000 34240.0303 -149127.2639 299.0267 -183367.2942 -149030.4538 299.1354 -95.6357 -63.4694 557868.4326 6.7449 6.6856 PRESSURE: 2321000 -124.52 57.967 22.1572 57.9667 -63.5981 11.8537 22.1576 11.8527 102.631 GPRESSURE: 2321000 -101.294 0.460788 48.1521 125.202 -4.07452 -4.72085 8.28035 103.342 108.305 PRESSAVG: 2321000 -14.1906 -0.399109 -16.767 -0.398998 -49.732 -2.9758 -16.767 -2.97593 70.2587 GPRESSAVG: 2321000 -13.636 0.22922 -18.6426 -1.03414 -49.3242 -2.48066 -14.8245 -3.91034 69.2773 TIMING: 2321000 CPU: 6734.7, 0.00291209/step Wall: 6734.7, 0.00291209/step, 2.16708 hours remaining, 206.078125 MB of memory in use. ENERGY: 2321000 732.0862 2100.2240 1975.9542 110.3774 -205966.6504 17613.4432 0.0000 0.0000 34279.8767 -149154.6887 299.3747 -183434.5654 -149055.3641 299.3750 -28.4958 0.9788 558789.0551 2.1120 2.1057 PRESSURE: 2321200 104.479 46.185 6.39386 46.1844 104.595 50.4704 6.39556 50.4721 -64.4023 GPRESSURE: 2321200 51.0155 79.2727 11.8177 8.27349 191.569 7.41819 -26.7581 38.2399 11.6627 PRESSAVG: 2321200 -55.6328 -15.2686 47.2865 -15.2686 -2.39409 -27.4623 47.2865 -27.4623 68.7468 GPRESSAVG: 2321200 -55.7287 -15.8346 48.2445 -15.9099 -2.4393 -26.9079 45.8658 -28.5925 69.8649 TIMING: 2321200 CPU: 6735.28, 0.00288463/step Wall: 6735.28, 0.00288463/step, 2.14648 hours remaining, 206.078125 MB of memory in use. ENERGY: 2321200 727.4847 2083.5660 1950.0702 118.4801 -206296.5557 17821.4847 0.0000 0.0000 34293.6243 -149301.8457 299.4948 -183595.4700 -149209.5385 299.3414 48.2239 84.7491 557068.3310 3.5733 3.8989 PRESSURE: 2321400 -57.0584 162.737 48.1051 162.738 -29.5969 -4.30616 48.1045 -4.30711 -26.1225 GPRESSURE: 2321400 -34.3636 102.92 -13.7726 225.411 -29.1423 -63.6479 184.549 99.0062 36.6532 PRESSAVG: 2321400 -13.8076 42.4003 0.375923 42.4004 -11.9371 -72.3382 0.375849 -72.3383 45.347 GPRESSAVG: 2321400 -14.5629 40.5249 -0.411123 44.1278 -11.8012 -72.5817 2.41209 -70.5021 45.8665 TIMING: 2321400 CPU: 6735.86, 0.00290531/step Wall: 6735.86, 0.00290531/step, 2.16171 hours remaining, 206.078125 MB of memory in use. ENERGY: 2321400 732.9080 2039.6807 1952.2174 118.2193 -206307.0133 17778.6296 0.0000 0.0000 34289.1865 -149396.1717 299.4560 -183685.3582 -149298.0572 299.1119 -37.5926 -8.9509 557065.3675 6.5341 6.5008 PRESSURE: 2321600 -55.6776 -7.15046 3.41345 -7.14917 29.6439 152.659 3.41321 152.658 46.0745 GPRESSURE: 2321600 -51.7461 -14.2586 -18.1631 29.4046 96.0251 111.11 -61.8686 62.289 71.1611 PRESSAVG: 2321600 15.6107 -34.4673 20.075 -34.4673 -34.67 23.4113 20.0751 23.4113 20.2064 GPRESSAVG: 2321600 16.6524 -31.1746 19.8693 -35.7052 -34.0548 21.5472 18.1995 24.2769 18.9757 TIMING: 2321600 CPU: 6736.44, 0.00289713/step Wall: 6736.44, 0.00289713/step, 2.15546 hours remaining, 206.078125 MB of memory in use. ENERGY: 2321600 742.6642 2039.1701 1935.7257 125.1887 -205950.1391 17754.0831 0.0000 0.0000 34192.1519 -149161.1555 298.6086 -183353.3073 -149065.1407 298.9678 6.6802 38.4800 556892.2584 0.3824 0.5244 PRESSURE: 2321800 -155.039 -174.889 -99.6973 -174.888 -229.382 -109.631 -99.697 -109.63 -45.8829 GPRESSURE: 2321800 -192.421 -119.186 -144.861 -174.312 -159.801 -85.0081 -7.42596 -123.691 9.03539 PRESSAVG: 2321800 -23.4181 -29.0481 3.86499 -29.0481 -10.25 2.72703 3.86494 2.72695 26.0608 GPRESSAVG: 2321800 -23.4191 -30.5427 5.27243 -30.4386 -10.3086 4.70562 4.27035 -0.482005 25.5545 TIMING: 2321800 CPU: 6737.02, 0.00291095/step Wall: 6737.02, 0.00291095/step, 2.16558 hours remaining, 206.335938 MB of memory in use. ENERGY: 2321800 801.9405 2042.8023 1959.5875 115.3139 -206277.1998 17719.4073 0.0000 0.0000 34491.4397 -149146.7085 301.2223 -183638.1482 -149041.0185 299.4883 -143.4347 -114.3957 558209.6682 -2.5357 -2.7244 PRESSURE: 2322000 -30.821 2.68099 -30.7982 2.68092 24.4386 -20.5399 -30.7982 -20.5394 198.785 GPRESSURE: 2322000 21.2831 37.4499 8.0582 21.9071 8.85917 -104.06 -35.1053 -19.2365 255.147 PRESSAVG: 2322000 36.5402 -20.0012 -10.3725 -20.0012 -58.78 -28.4888 -10.3724 -28.4888 21.9735 GPRESSAVG: 2322000 35.4209 -20.1277 -10.6571 -17.669 -57.9192 -29.9983 -10.0596 -27.4683 22.0598 TIMING: 2322000 CPU: 6737.6, 0.00290922/step Wall: 6737.6, 0.00290922/step, 2.16414 hours remaining, 206.335938 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: 2322000 766.4179 2046.2714 1940.9590 112.2168 -205861.8394 17775.0726 0.0000 0.0000 34048.6086 -149172.2930 297.3550 -183220.9017 -149079.9120 299.2563 64.1341 95.0964 556719.3535 -0.0888 -0.1462 PRESSURE: 2322200 75.9816 -122.602 -107.077 -122.601 -130.27 32.3976 -107.077 32.3979 -186.664 GPRESSURE: 2322200 38.1518 -36.1494 -176.133 -186.836 -73.029 43.5232 -51.8079 -56.4626 -107.628 PRESSAVG: 2322200 -87.109 -11.2051 4.3205 -11.2052 49.0929 9.57434 4.32062 9.57431 88.2419 GPRESSAVG: 2322200 -86.682 -11.4913 3.33839 -11.8404 48.5069 12.2697 4.60174 8.80656 88.6615 TIMING: 2322200 CPU: 6738.18, 0.0028918/step Wall: 6738.18, 0.0028918/step, 2.15102 hours remaining, 206.335938 MB of memory in use. ENERGY: 2322200 721.7180 2080.9455 1951.6219 104.8119 -205796.9794 17636.8753 0.0000 0.0000 34415.9315 -148885.0754 300.5629 -183301.0069 -148788.6921 299.9980 -80.3175 -47.5018 558710.7161 16.7419 16.8288 PRESSURE: 2322400 -309.442 -48.6259 -93.2035 -48.6255 -88.5958 -191.829 -93.2051 -191.829 300.899 GPRESSURE: 2322400 -240.214 -13.1291 -80.7924 -68.9753 -29.6663 -166.459 -218.43 -148.532 269.073 PRESSAVG: 2322400 13.1792 -45.2418 -9.91155 -45.2417 -95.7025 -25.7822 -9.91164 -25.7822 49.6465 GPRESSAVG: 2322400 12.8229 -42.8647 -7.81477 -45.7932 -94.7283 -26.2723 -12.2406 -26.0358 49.252 TIMING: 2322400 CPU: 6738.76, 0.00288123/step Wall: 6738.76, 0.00288123/step, 2.143 hours remaining, 206.335938 MB of memory in use. ENERGY: 2322400 736.0635 2075.4897 1956.4879 113.7612 -206014.9492 17915.5902 0.0000 0.0000 34247.9573 -148969.5995 299.0959 -183217.5568 -148871.9426 299.7755 -32.3794 -0.2691 559111.5371 -10.9589 -10.8845 PRESSURE: 2322600 56.2969 -34.6534 -64.4221 -34.6535 -303.241 75.8561 -64.4211 75.8565 -217.114 GPRESSURE: 2322600 101.016 -29.6994 37.9171 -20.6179 -279.092 -38.1366 -158.267 160.701 -189.087 PRESSAVG: 2322600 -9.71559 -61.068 7.94738 -61.068 15.9874 -30.7649 7.94744 -30.7649 21.6687 GPRESSAVG: 2322600 -9.2927 -63.3486 7.06789 -59.695 15.7901 -34.542 10.4216 -29.4891 21.7084 TIMING: 2322600 CPU: 6739.34, 0.00290234/step Wall: 6739.34, 0.00290234/step, 2.15853 hours remaining, 206.335938 MB of memory in use. ENERGY: 2322600 794.9534 2082.6439 1951.8754 118.8906 -206169.1729 17843.5405 0.0000 0.0000 34175.1543 -149202.1148 298.4601 -183377.2691 -149108.9947 299.4651 -154.6858 -122.3876 558722.2763 9.3135 9.4020 PRESSURE: 2322800 -93.6303 -197.69 -129.042 -197.691 124.204 61.0428 -129.041 61.0421 -193.378 GPRESSURE: 2322800 -82.3362 -130.704 -51.6093 -279.968 150.062 104.645 -207.868 66.3169 -131.153 PRESSAVG: 2322800 -45.9724 -17.192 26.2837 -17.1921 5.37024 -36.026 26.2837 -36.0258 16.2454 GPRESSAVG: 2322800 -46.5682 -16.6644 25.2727 -18.3989 5.80958 -32.9833 25.8251 -38.0427 16.3261 TIMING: 2322800 CPU: 6739.93, 0.00293094/step Wall: 6739.93, 0.00293094/step, 2.17964 hours remaining, 206.335938 MB of memory in use. ENERGY: 2322800 755.8847 2074.4985 1954.2484 103.2768 -206053.7490 17799.0672 0.0000 0.0000 34150.9228 -149215.8506 298.2485 -183366.7734 -149113.7852 298.9555 -54.2680 -21.1423 558482.8454 -8.1189 -8.1442 PRESSURE: 2323000 -179.613 216.955 -147.705 216.955 -208.857 123.959 -147.704 123.958 -131.981 GPRESSURE: 2323000 -121.582 150.968 -92.6935 206.502 -208.001 91.5806 -89.3986 171.778 -93.747 PRESSAVG: 2323000 -0.456003 23.3019 -3.22482 23.302 -38.0643 17.0194 -3.22479 17.0195 30.8506 GPRESSAVG: 2323000 -0.203383 22.7283 -2.70123 24.8206 -38.2701 15.8325 -3.58155 15.6871 30.3374 TIMING: 2323000 CPU: 6740.51, 0.00289895/step Wall: 6740.51, 0.00289895/step, 2.15569 hours remaining, 206.335938 MB of memory in use. ENERGY: 2323000 707.1731 2108.2780 1952.0659 122.4468 -205575.6529 17471.4404 0.0000 0.0000 34169.7146 -149044.5341 298.4126 -183214.2488 -148948.6764 299.1011 -173.4837 -141.1102 559603.2035 -2.5566 -2.7120 PRESSURE: 2323200 62.1833 -98.443 78.8905 -98.4416 -34.7363 -8.7863 78.8914 -8.78702 93.9241 GPRESSURE: 2323200 102.761 -180.221 173.411 -73.3876 9.79664 -52.3141 20.3526 163.124 107.262 PRESSAVG: 2323200 36.8722 -7.99471 -0.711243 -7.99467 4.69475 26.3916 -0.711241 26.3916 -20.5386 GPRESSAVG: 2323200 38.2683 -7.02618 -1.22595 -8.83043 4.05523 26.3645 -0.0160607 28.4538 -21.426 TIMING: 2323200 CPU: 6741.09, 0.00290092/step Wall: 6741.09, 0.00290092/step, 2.15699 hours remaining, 206.335938 MB of memory in use. ENERGY: 2323200 732.4630 2102.8740 1953.2563 107.4534 -205930.8560 17801.6083 0.0000 0.0000 34088.3806 -149144.8202 297.7023 -183233.2008 -149046.7638 299.4597 40.4570 73.2731 557548.2416 7.0095 6.9659 PRESSURE: 2323400 -284.952 46.2048 -18.7521 46.2029 -41.0551 59.6493 -18.7518 59.6507 -222.519 GPRESSURE: 2323400 -305.137 42.7838 -48.1937 102.989 -1.49416 36.2481 -30.069 71.3197 -140.844 PRESSAVG: 2323400 3.50165 -32.1767 24.6609 -32.1768 -30.532 10.4011 24.6609 10.4011 22.465 GPRESSAVG: 2323400 2.31281 -31.4323 24.69 -32.8232 -30.1522 11.1501 23.6139 10.2494 23.1888 TIMING: 2323400 CPU: 6741.67, 0.00289816/step Wall: 6741.67, 0.00289816/step, 2.15478 hours remaining, 206.335938 MB of memory in use. ENERGY: 2323400 753.7208 2065.8594 1918.0098 113.4897 -205899.5276 17566.7022 0.0000 0.0000 34255.2983 -149226.4473 299.1600 -183481.7456 -149128.1665 299.3269 -182.8423 -149.1586 557659.3294 -1.5218 -1.5502 PRESSURE: 2323600 2.92969 5.92112 0.0718869 5.92211 -179.11 17.9073 0.0725019 17.9069 -184.265 GPRESSURE: 2323600 18.8444 -48.3964 34.541 -18.0222 -185.316 25.9805 -48.3077 21.8229 -113.424 PRESSAVG: 2323600 18.0009 -29.1886 -5.5258 -29.1887 -45.3809 -2.65611 -5.52578 -2.65607 62.0049 GPRESSAVG: 2323600 18.7295 -31.7393 -5.20683 -26.2978 -46.0328 -1.93651 -4.53851 -0.547301 62.4796 TIMING: 2323600 CPU: 6742.24, 0.00289669/step Wall: 6742.24, 0.00289669/step, 2.15353 hours remaining, 206.335938 MB of memory in use. ENERGY: 2323600 785.5462 2092.2518 1937.6261 108.5208 -206216.5109 17771.8002 0.0000 0.0000 34260.1746 -149260.5912 299.2026 -183520.7658 -149162.0496 299.2023 -120.1483 -93.2985 557907.4338 11.5416 11.7254 PRESSURE: 2323800 117.604 9.04958 -147.381 9.05041 -121.166 17.0992 -147.382 17.099 106.939 GPRESSURE: 2323800 157.192 19.2772 -53.2732 -107.656 -112.004 -1.3892 -209.084 -13.6902 151.814 PRESSAVG: 2323800 -16.0814 0.628067 -27.5344 0.628106 -8.42078 -42.829 -27.5345 -42.8289 18.1089 GPRESSAVG: 2323800 -16.487 1.44625 -27.4792 -2.92711 -7.99944 -45.5364 -27.1961 -45.366 17.4354 TIMING: 2323800 CPU: 6742.83, 0.00291672/step Wall: 6742.83, 0.00291672/step, 2.16826 hours remaining, 206.335938 MB of memory in use. ENERGY: 2323800 691.8915 2037.3142 1946.1283 129.2683 -206011.3910 17793.3851 0.0000 0.0000 34066.1354 -149347.2681 297.5080 -183413.4036 -149247.6901 298.4770 34.4592 65.6673 557750.4207 -2.1311 -2.3503 PRESSURE: 2324000 237.147 87.015 -146.416 87.0159 38.4103 -6.28773 -146.417 -6.28793 -76.7925 GPRESSURE: 2324000 241.428 -10.9325 -106.156 123.824 76.1172 -124.267 -164.75 23.3641 -13.5244 PRESSAVG: 2324000 -28.9648 -0.683532 -54.6058 -0.683563 -12.9419 7.11182 -54.6057 7.1119 -5.46125 GPRESSAVG: 2324000 -27.7366 -1.12422 -55.4265 -1.24506 -13.4719 6.56258 -54.8911 7.55553 -6.06926 TIMING: 2324000 CPU: 6743.4, 0.00287597/step Wall: 6743.4, 0.00287597/step, 2.1378 hours remaining, 206.335938 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: 2324000 776.9048 2122.5506 1975.3146 108.6289 -206528.7050 17891.1969 0.0000 0.0000 34195.7144 -149458.3948 298.6397 -183654.1091 -149363.5443 298.8239 66.2549 101.3404 556375.0440 -15.7893 -15.7593 PRESSURE: 2324200 18.0904 -48.5583 10.7282 -48.5578 143.071 -37.4718 10.7278 -37.4718 291.868 GPRESSURE: 2324200 59.4565 -120.884 -45.3151 2.47449 180.537 -9.15661 -23.0312 -90.9598 319.942 PRESSAVG: 2324200 -28.753 18.468 -61.9532 18.4679 2.01139 -76.79 -61.9534 -76.79 53.9874 GPRESSAVG: 2324200 -28.2857 17.9225 -61.4533 20.4084 2.09071 -74.252 -62.8731 -75.979 53.1902 TIMING: 2324200 CPU: 6743.98, 0.00288152/step Wall: 6743.98, 0.00288152/step, 2.14177 hours remaining, 206.335938 MB of memory in use. ENERGY: 2324200 697.2960 2153.9873 1967.8994 130.2511 -206453.8569 18064.7104 0.0000 0.0000 34152.4600 -149287.2527 298.2619 -183439.7128 -149194.4874 299.4193 151.0098 186.6453 557080.9400 9.0819 8.9984 LDB: ============= START OF LOAD BALANCING ============== 6747.44 LDB: ============== END OF LOAD BALANCING =============== 6747.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6747.45 LDB: ============= START OF LOAD BALANCING ============== 6747.74 LDB: Largest compute 4821 load 0.028932 is 24.6% of average load 0.117666 LDB: Average compute 0.001731 is 1.5% of average load 0.117666 LDB: TIME 6747.74 LOAD: AVG 0.117666 MAX 0.179928 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 6747.74 LOAD: AVG 0.117666 MAX 0.179928 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 6747.74 LOAD: AVG 0.117666 MAX 0.179928 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6747.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6747.74 PRESSURE: 2324400 -124.573 -60.673 -45.6482 -60.6719 -4.88222 -71.7777 -45.6487 -71.7769 -244.727 GPRESSURE: 2324400 -93.3134 -8.03032 -45.4612 -85.7756 -14.4367 -141.149 45.2815 29.4052 -164.481 PRESSAVG: 2324400 -29.6421 -20.8808 -55.0924 -20.8808 -24.3926 -36.4901 -55.0924 -36.4901 48.1898 GPRESSAVG: 2324400 -30.2104 -19.245 -56.0583 -22.273 -24.2108 -37.9393 -55.8575 -35.6499 48.9728 TIMING: 2324400 CPU: 6744.57, 0.0029437/step Wall: 6744.57, 0.0029437/step, 2.18782 hours remaining, 207.027344 MB of memory in use. ENERGY: 2324400 737.4845 2122.0699 1964.9045 116.3361 -206108.0164 17597.4532 0.0000 0.0000 34238.7740 -149330.9942 299.0157 -183569.7682 -149235.7411 299.6863 -124.7273 -90.7437 557905.9694 -1.9483 -1.8162 PRESSURE: 2324600 -56.6288 120.152 95.8134 120.153 216.064 -33.1873 95.8139 -33.1878 61.0631 GPRESSURE: 2324600 -59.8102 27.3271 139.329 151.781 290.828 -30.5132 140.765 -38.1292 103.365 PRESSAVG: 2324600 -2.02895 -17.6879 -44.9661 -17.6879 -26.2186 -43.8022 -44.9663 -43.8024 -9.51297 GPRESSAVG: 2324600 -2.47034 -16.9088 -43.1271 -18.4958 -26.5744 -42.0624 -44.6447 -45.4651 -8.54208 TIMING: 2324600 CPU: 6745.14, 0.0028762/step Wall: 6745.14, 0.0028762/step, 2.1375 hours remaining, 207.230469 MB of memory in use. ENERGY: 2324600 775.8106 2112.1628 1940.9701 119.2176 -205818.0719 17622.5936 0.0000 0.0000 34186.1252 -149061.1921 298.5559 -183247.3173 -148954.1929 299.2752 73.4994 111.4611 556660.2094 -12.5868 -12.5289 PRESSURE: 2324800 315.602 51.3559 96.5582 51.356 0.00500647 127.081 96.5598 127.083 145.675 GPRESSURE: 2324800 379.377 -1.37614 107.721 100.067 9.50835 89.5397 51.808 147.341 172.228 PRESSAVG: 2324800 -39.5543 -39.8687 3.05344 -39.8687 -16.293 -58.6022 3.05348 -58.6023 40.4908 GPRESSAVG: 2324800 -39.3335 -38.9953 1.58935 -39.5327 -16.7796 -60.5183 3.40709 -56.8731 40.1391 TIMING: 2324800 CPU: 6745.72, 0.00288029/step Wall: 6745.72, 0.00288029/step, 2.14038 hours remaining, 207.230469 MB of memory in use. ENERGY: 2324800 750.3585 2148.5281 1961.5375 115.5006 -206373.5223 18079.5694 0.0000 0.0000 34360.5260 -148957.5023 300.0790 -183318.0283 -148855.4223 300.0740 153.7610 187.0380 557042.4186 -5.1188 -5.3246 PRESSURE: 2325000 -224.561 158.012 -89.9634 158.011 -153.296 -32.6778 -89.9628 -32.678 -39.6302 GPRESSURE: 2325000 -207.011 193.688 -18.3819 94.3997 -121.482 59.6484 -88.5571 -110.142 16.8796 PRESSAVG: 2325000 14.7973 42.6347 -5.9221 42.6348 20.8536 -41.6152 -5.92206 -41.6152 9.01714 GPRESSAVG: 2325000 15.1231 42.0252 -6.50467 43.2848 20.8968 -39.7141 -6.65594 -43.4874 9.01407 TIMING: 2325000 CPU: 6746.3, 0.00290623/step Wall: 6746.3, 0.00290623/step, 2.15949 hours remaining, 207.230469 MB of memory in use. ENERGY: 2325000 710.6094 2140.8828 1929.2876 120.3468 -205709.2124 17447.3570 0.0000 0.0000 34363.5952 -148997.1336 300.1058 -183360.7288 -148906.0063 300.1719 -139.1624 -103.8710 557941.3812 14.8893 15.0113 PRESSURE: 2325200 -114.712 64.7848 -142.696 64.7852 -53.541 -160.423 -142.695 -160.422 -121.929 GPRESSURE: 2325200 -77.8617 44.9987 -127.087 42.3373 -43.7341 -154.452 -260.294 -85.3792 -63.4468 PRESSAVG: 2325200 -1.69932 64.4412 4.42627 64.4412 -43.0014 -36.9959 4.42638 -36.9959 26.3458 GPRESSAVG: 2325200 -1.987 65.2441 3.21125 63.9727 -42.5961 -39.3685 5.36067 -34.814 26.5014 TIMING: 2325200 CPU: 6746.88, 0.00288784/step Wall: 6746.88, 0.00288784/step, 2.14566 hours remaining, 207.230469 MB of memory in use. ENERGY: 2325200 736.7191 2090.8185 1959.4839 119.8753 -205481.7973 17392.8989 0.0000 0.0000 34141.5791 -149040.4225 298.1669 -183182.0016 -148942.8092 299.9660 -96.7274 -61.6809 556078.7604 -6.1183 -6.0272 PRESSURE: 2325400 35.0702 -75.8721 -76.3813 -75.8732 -4.89537 -2.90373 -76.382 -2.90357 67.0863 GPRESSURE: 2325400 40.9593 -8.1316 -60.155 -119.74 -7.84462 -9.71289 -55.332 -39.8267 150.791 PRESSAVG: 2325400 31.0014 -19.2195 -49.328 -19.2194 -117.16 -86.443 -49.328 -86.4432 64.6344 GPRESSAVG: 2325400 30.1303 -22.1651 -47.5482 -18.0679 -116.887 -86.1851 -49.1695 -88.5493 66.0465 TIMING: 2325400 CPU: 6747.46, 0.00291485/step Wall: 6747.46, 0.00291485/step, 2.16557 hours remaining, 207.230469 MB of memory in use. ENERGY: 2325400 726.6059 2126.8887 1956.2224 118.1870 -205918.7376 17671.7795 0.0000 0.0000 34420.3102 -148898.7439 300.6011 -183319.0541 -148804.4168 299.8632 32.4204 61.3019 555512.5147 -7.1746 -6.9034 PRESSURE: 2325600 130.485 13.5422 3.98582 13.5419 344.626 40.342 3.98588 40.3408 144.806 GPRESSURE: 2325600 163.208 59.6145 73.3035 -11.7883 397.907 21.1178 -54.7082 -3.4155 157.091 PRESSAVG: 2325600 4.8001 -0.884409 -24.4565 -0.884435 -30.3979 -25.9254 -24.4565 -25.9254 38.3604 GPRESSAVG: 2325600 6.70133 0.793613 -23.9014 -1.23425 -30.8963 -24.1213 -24.9182 -25.763 36.7431 TIMING: 2325600 CPU: 6748.04, 0.00291653/step Wall: 6748.04, 0.00291653/step, 2.16665 hours remaining, 207.230469 MB of memory in use. ENERGY: 2325600 699.4135 2051.5178 1955.9874 116.1833 -206230.4998 18049.7635 0.0000 0.0000 34470.8027 -148886.8315 301.0421 -183357.6342 -148789.7782 300.0184 206.6390 239.4020 556179.4376 4.2542 4.1827 PRESSURE: 2325800 -188.033 -90.6947 -79.6897 -90.6949 -81.2037 -61.1198 -79.6885 -61.1198 -45.6774 GPRESSURE: 2325800 -125.876 -75.533 -84.1335 -21.7767 -102.138 -41.0663 -11.5524 -43.1281 15.1189 PRESSAVG: 2325800 5.16986 -36.8494 7.72658 -36.8494 0.0227825 -5.81847 7.72654 -5.8185 -11.2879 GPRESSAVG: 2325800 5.06047 -38.609 8.16395 -36.8694 -0.445977 -5.32414 7.19423 -6.11694 -10.8711 TIMING: 2325800 CPU: 6748.63, 0.00291648/step Wall: 6748.63, 0.00291648/step, 2.16646 hours remaining, 207.230469 MB of memory in use. ENERGY: 2325800 758.5218 2128.5920 1927.4767 104.2947 -205656.6609 17500.9243 0.0000 0.0000 34283.5558 -148953.2955 299.4068 -183236.8514 -148851.6768 299.6304 -104.9715 -70.9649 556799.8894 -2.0317 -2.0855 PRESSURE: 2326000 94.3279 62.7401 21.9836 62.7394 -10.8013 -120.181 21.9832 -120.181 298.657 GPRESSURE: 2326000 142.058 -9.52377 101.196 127.285 37.1928 -36.5056 -40.0866 -96.2901 291.197 PRESSAVG: 2326000 44.1177 -44.8779 -40.0279 -44.8779 -80.9156 -10.0105 -40.0279 -10.0104 39.6466 GPRESSAVG: 2326000 43.5115 -44.3807 -42.6842 -44.9646 -80.0004 -9.9008 -37.6863 -10.4159 39.1973 TIMING: 2326000 CPU: 6749.21, 0.00290735/step Wall: 6749.21, 0.00290735/step, 2.15952 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2326000 714.6441 2056.0954 1967.5802 115.0723 -206065.7255 17867.8159 0.0000 0.0000 34451.9189 -148892.5986 300.8772 -183344.5176 -148795.6177 300.1023 127.3945 156.8159 558351.1553 0.9496 0.9028 PRESSURE: 2326200 -122.832 -20.2007 21.3764 -20.2 66.2582 -133.442 21.3762 -133.442 157.327 GPRESSURE: 2326200 -66.6942 -62.0965 -71.2858 27.3212 71.9309 -90.204 -23.7558 -150.342 195.118 PRESSAVG: 2326200 -7.11245 22.5533 3.9244 22.5533 -58.6429 11.322 3.9244 11.322 42.8165 GPRESSAVG: 2326200 -6.34373 22.7645 5.53504 22.7653 -59.4768 10.5445 1.46298 11.486 42.974 TIMING: 2326200 CPU: 6749.79, 0.00291615/step Wall: 6749.79, 0.00291615/step, 2.16589 hours remaining, 207.230469 MB of memory in use. ENERGY: 2326200 743.5931 2105.8737 1972.0856 118.5017 -206038.5094 17902.9144 0.0000 0.0000 34353.4126 -148842.1282 300.0169 -183195.5408 -148743.9020 299.6309 33.5843 66.7849 559348.9031 -7.6463 -7.6155 PRESSURE: 2326400 46.4543 -49.7783 66.3507 -49.7773 31.51 60.3583 66.3501 60.3581 -111.488 GPRESSURE: 2326400 6.62134 -26.7812 134.395 -89.7404 96.1205 69.4735 -51.0903 88.1487 -45.0097 PRESSAVG: 2326400 -102.938 -2.75643 8.13857 -2.75652 14.8699 55.8458 8.13858 55.8459 41.2741 GPRESSAVG: 2326400 -102.137 -3.15371 9.21666 -1.73112 14.6607 54.2113 8.2145 57.2861 40.9698 TIMING: 2326400 CPU: 6750.38, 0.00291533/step Wall: 6750.38, 0.00291533/step, 2.16512 hours remaining, 207.230469 MB of memory in use. ENERGY: 2326400 730.7202 2055.4307 1951.9845 116.3001 -205804.5333 17755.8149 0.0000 0.0000 34219.3052 -148974.9778 298.8457 -183194.2830 -148886.9698 299.6116 -11.1745 19.2441 560198.0046 -15.5982 -15.5020 PRESSURE: 2326600 -157.268 95.7008 71.9521 95.7012 -41.5304 22.1565 71.9514 22.1567 -215.489 GPRESSURE: 2326600 -110.631 56.0434 106.386 106.996 -23.3962 79.6282 33.6715 -81.542 -188.154 PRESSAVG: 2326600 1.41901 1.97532 -5.57178 1.9753 -25.7258 -1.5665 -5.57177 -1.56638 20.9227 GPRESSAVG: 2326600 -0.0902373 2.2235 -7.03844 0.345908 -23.4285 0.962817 -5.81848 -1.55205 20.3937 TIMING: 2326600 CPU: 6750.96, 0.00290101/step Wall: 6750.96, 0.00290101/step, 2.15432 hours remaining, 207.230469 MB of memory in use. ENERGY: 2326600 714.7322 2131.4611 1982.6638 103.7927 -205530.0481 17504.4488 0.0000 0.0000 34279.2178 -148813.7316 299.3689 -183092.9494 -148710.0995 299.3822 -138.0958 -107.3937 560375.9843 -1.1280 -1.0417 PRESSURE: 2326800 -0.592212 -0.309642 -99.224 -0.309879 -114.306 52.069 -99.2256 52.0689 192.323 GPRESSURE: 2326800 37.6654 48.3133 -154.517 -46.279 -65.1251 87.35 -86.4884 18.3461 197.021 PRESSAVG: 2326800 -55.2857 -24.0516 60.8612 -24.0516 18.3746 17.4383 60.8613 17.4384 -1.70205 GPRESSAVG: 2326800 -55.0475 -23.3115 61.0872 -24.7956 17.8112 15.2694 62.677 17.5478 -2.04707 TIMING: 2326800 CPU: 6751.54, 0.00290749/step Wall: 6751.54, 0.00290749/step, 2.15897 hours remaining, 207.230469 MB of memory in use. ENERGY: 2326800 749.3496 2100.7230 1951.5112 113.0648 -206038.9834 17937.5897 0.0000 0.0000 34247.7373 -148939.0078 299.0940 -183186.7451 -148850.2977 299.5640 25.8082 56.5205 558358.2128 -12.8710 -13.0944 PRESSURE: 2327000 -51.6565 -102.29 -71.862 -102.288 -119.047 29.7392 -71.861 29.741 154.48 GPRESSURE: 2327000 23.2592 -130.049 -103.787 -194.843 -35.4043 90.6941 19.8794 11.0791 95.1297 PRESSAVG: 2327000 -33.8052 -23.7133 28.3783 -23.7132 68.6788 54.6416 28.3783 54.6416 -39.0878 GPRESSAVG: 2327000 -34.0058 -22.9267 28.4753 -24.7357 67.8175 55.065 27.7492 53.9234 -38.2019 TIMING: 2327000 CPU: 6752.12, 0.00290069/step Wall: 6752.12, 0.00290069/step, 2.15376 hours remaining, 207.230469 MB of memory in use. ENERGY: 2327000 742.2074 2121.4319 1945.9540 112.3563 -206167.1863 17937.3839 0.0000 0.0000 34364.9758 -148942.8771 300.1179 -183307.8530 -148851.1811 299.8882 -5.4079 27.6615 558219.0468 -1.4048 -1.4634 PRESSURE: 2327200 86.5775 161.34 33.2003 161.34 -185.306 -78.02 33.2009 -78.0171 67.2391 GPRESSURE: 2327200 148.051 272.113 57.3899 127.633 -146.687 -25.8064 64.9011 -90.5991 64.2858 PRESSAVG: 2327200 -16.0847 -37.3902 6.16155 -37.3902 -15.6366 33.3376 6.16168 33.3376 63.2059 GPRESSAVG: 2327200 -17.6202 -38.9887 5.94892 -35.8354 -14.4827 34.3729 4.35737 34.1719 64.0123 TIMING: 2327200 CPU: 6752.7, 0.00292031/step Wall: 6752.7, 0.00292031/step, 2.16817 hours remaining, 207.230469 MB of memory in use. ENERGY: 2327200 764.9050 2123.4030 1974.2072 113.2916 -206178.3227 17871.5448 0.0000 0.0000 34417.3791 -148913.5919 300.5755 -183330.9710 -148822.2071 299.5695 -10.4964 21.8832 558330.9540 10.4949 10.6365 PRESSURE: 2327400 87.437 -74.6077 -61.0828 -74.6083 318.566 52.1837 -61.0832 52.1845 343.663 GPRESSURE: 2327400 149.498 -94.4349 -64.7883 -67.2693 388.006 6.04217 -72.2255 74.7416 318.273 PRESSAVG: 2327400 -35.4996 0.174438 24.8706 0.174537 12.7981 -34.1156 24.8705 -34.1156 -11.5798 GPRESSAVG: 2327400 -32.9981 0.743353 26.0997 1.21225 12.5904 -33.0822 26.5472 -37.122 -13.7561 TIMING: 2327400 CPU: 6753.29, 0.00292337/step Wall: 6753.29, 0.00292337/step, 2.17028 hours remaining, 207.230469 MB of memory in use. ENERGY: 2327400 743.3171 2127.3511 1959.7230 116.4343 -206436.5989 18144.7547 0.0000 0.0000 34426.8220 -148918.1967 300.6580 -183345.0187 -148831.8784 299.9503 249.8885 285.2587 555988.6896 -11.4271 -11.3880 PRESSURE: 2327600 -7.5198 107.8 -207.748 107.801 174.965 -124.413 -207.748 -124.413 -210.988 GPRESSURE: 2327600 29.4908 125.788 -255.777 172.408 212.134 -81.3075 -167.117 -142.225 -181.813 PRESSAVG: 2327600 70.1876 26.2946 22.394 26.2945 49.0982 46.0187 22.3939 46.0187 -54.1586 GPRESSAVG: 2327600 69.6451 26.5462 21.0548 25.0391 48.7643 43.7331 21.37 48.6305 -52.5993 TIMING: 2327600 CPU: 6753.87, 0.00290669/step Wall: 6753.87, 0.00290669/step, 2.15774 hours remaining, 207.230469 MB of memory in use. ENERGY: 2327600 793.3229 2112.6008 1936.2720 113.7382 -205767.5234 17703.4209 0.0000 0.0000 34410.3771 -148697.7914 300.5144 -183108.1685 -148601.8968 300.7283 -14.5145 19.9374 556422.1171 21.7091 21.9367 PRESSURE: 2327800 54.8417 22.6395 -140.951 22.639 84.8937 53.2282 -140.951 53.2297 -58.7866 GPRESSURE: 2327800 66.7327 -13.1416 -151.919 2.16051 133.748 67.4467 -113.125 4.44948 -21.3952 PRESSAVG: 2327800 -20.2777 36.1903 10.6788 36.1904 22.3449 -15.5064 10.6788 -15.5062 -33.8108 GPRESSAVG: 2327800 -21.2249 35.7195 10.0266 35.2943 21.914 -15.9619 9.65422 -16.0426 -32.5805 TIMING: 2327800 CPU: 6754.45, 0.0028961/step Wall: 6754.45, 0.0028961/step, 2.14971 hours remaining, 207.230469 MB of memory in use. ENERGY: 2327800 737.0374 2096.3306 1946.5658 110.9389 -205879.6434 17820.8795 0.0000 0.0000 34520.6453 -148647.2459 301.4774 -183167.8912 -148549.9017 300.7886 26.9829 59.6950 557040.4695 -10.5812 -10.6305 PRESSURE: 2328000 10.4838 97.5889 84.0225 97.5893 -240.714 -165.014 84.023 -165.012 -127.637 GPRESSURE: 2328000 13.4584 23.3344 -23.3277 102.955 -182.153 -141.777 93.7659 -168.288 -100.31 PRESSAVG: 2328000 -25.2857 43.8214 36.1181 43.8214 -38.0505 -82.2289 36.1181 -82.2289 11.2137 GPRESSAVG: 2328000 -24.4841 44.779 36.3871 44.4818 -37.5097 -80.0056 37.2223 -83.0098 10.1187 TIMING: 2328000 CPU: 6755.03, 0.00289595/step Wall: 6755.03, 0.00289595/step, 2.14944 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2328000 721.2138 2112.0909 1956.5031 123.6984 -205512.9303 17466.3647 0.0000 0.0000 34299.2382 -148833.8212 299.5438 -183133.0594 -148733.5371 300.0281 -119.2890 -89.6682 557427.9621 -17.3742 -17.2917 PRESSURE: 2328200 -47.6017 154.496 98.521 154.496 0.871309 -206.786 98.5215 -206.785 107.008 GPRESSURE: 2328200 17.3651 89.7139 38.5963 163.21 7.15113 -258.312 137.296 -205.68 138.512 PRESSAVG: 2328200 38.0839 20.4301 16.1127 20.4301 -55.7108 27.2118 16.1127 27.2119 17.4831 GPRESSAVG: 2328200 38.1927 20.1317 15.884 19.9538 -55.447 22.9425 15.2021 31.2868 17.1634 TIMING: 2328200 CPU: 6755.61, 0.00291908/step Wall: 6755.61, 0.00291908/step, 2.16644 hours remaining, 207.230469 MB of memory in use. ENERGY: 2328200 704.8385 2101.1340 1925.5331 102.9307 -205376.0942 17458.0276 0.0000 0.0000 34297.4033 -148786.2270 299.5278 -183083.6303 -148693.3768 300.9718 20.0925 54.3429 557944.9250 -0.0479 -0.0303 LDB: ============= START OF LOAD BALANCING ============== 6759.08 LDB: ============== END OF LOAD BALANCING =============== 6759.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6759.08 LDB: ============= START OF LOAD BALANCING ============== 6759.37 LDB: Largest compute 4821 load 0.029818 is 25.3% of average load 0.117739 LDB: Average compute 0.001726 is 1.5% of average load 0.117739 LDB: TIME 6759.37 LOAD: AVG 0.117739 MAX 0.179444 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.297 MB LDB: TIME 6759.37 LOAD: AVG 0.117739 MAX 0.179444 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: TIME 6759.37 LOAD: AVG 0.117739 MAX 0.179444 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6759.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6759.38 PRESSURE: 2328400 83.0712 21.0747 155.042 21.075 -75.2362 -15.2874 155.042 -15.2871 69.1764 GPRESSURE: 2328400 114.354 6.77683 206.23 -78.2548 1.50386 -53.1292 60.1987 35.4202 52.4166 PRESSAVG: 2328400 -48.6157 1.89931 58.8509 1.89941 3.0981 21.6934 58.8509 21.6935 38.2119 GPRESSAVG: 2328400 -48.0446 2.1191 59.5201 3.42629 1.72338 23.337 58.7287 18.5962 39.1159 TIMING: 2328400 CPU: 6756.2, 0.00297005/step Wall: 6756.2, 0.00297005/step, 2.20411 hours remaining, 205.058594 MB of memory in use. ENERGY: 2328400 755.5372 2047.9208 1957.5662 101.3352 -205815.4238 17752.0603 0.0000 0.0000 34572.4845 -148628.5196 301.9301 -183201.0041 -148527.9631 300.4808 25.6705 56.0916 558688.1779 -2.4352 -2.4018 PRESSURE: 2328600 -413.935 -68.3615 26.853 -68.3604 -36.5925 99.8448 26.8537 99.8445 72.6753 GPRESSURE: 2328600 -401.147 16.5001 37.0378 6.8339 -24.7334 116.875 11.237 89.4022 154.173 PRESSAVG: 2328600 -68.5037 -27.3696 46.6159 -27.3696 31.2112 -24.1391 46.6159 -24.139 17.5336 GPRESSAVG: 2328600 -69.7255 -27.7824 46.8742 -25.9026 32.0978 -21.4759 46.4308 -24.0762 18.3037 TIMING: 2328600 CPU: 6756.78, 0.00289266/step Wall: 6756.78, 0.00289266/step, 2.14652 hours remaining, 205.261719 MB of memory in use. ENERGY: 2328600 764.0839 2093.8404 2001.6038 109.0054 -205811.6550 17761.0968 0.0000 0.0000 34370.3815 -148711.6432 300.1651 -183082.0247 -148613.0736 300.5755 -125.9509 -90.5691 560674.5084 -6.5863 -6.4413 PRESSURE: 2328800 -207.679 165.303 -164.74 165.302 159.562 -105.146 -164.74 -105.147 36.3445 GPRESSURE: 2328800 -149.562 125.212 -85.2362 146.961 183.404 -124.841 -193.342 -87.8123 43.5207 PRESSAVG: 2328800 -71.101 18.3296 -27.5506 18.3297 78.8194 38.7055 -27.5505 38.7054 -18.9358 GPRESSAVG: 2328800 -69.6332 19.5385 -26.3172 15.54 77.4706 35.4727 -27.8092 40.3428 -18.9795 TIMING: 2328800 CPU: 6757.36, 0.00289922/step Wall: 6757.36, 0.00289922/step, 2.15122 hours remaining, 205.261719 MB of memory in use. ENERGY: 2328800 756.6627 2123.2991 1914.2674 115.8339 -205725.4900 17738.1146 0.0000 0.0000 34391.5290 -148685.7833 300.3498 -183077.3123 -148578.4562 300.1549 -3.9241 25.7876 559297.6757 -3.7392 -3.7141 PRESSURE: 2329000 -163.757 121.814 -59.0762 121.815 -48.06 94.6779 -59.0787 94.6783 -151.114 GPRESSURE: 2329000 -158.318 34.8442 -37.714 55.8335 -15.3178 79.9236 -88.9415 88.9819 -91.49 PRESSAVG: 2329000 -52.4454 10.8972 -15.3939 10.8973 1.7893 30.8517 -15.3939 30.8516 56.1798 GPRESSAVG: 2329000 -53.6806 9.37166 -15.8506 12.6244 5.09388 30.0857 -13.9864 30.1681 54.1497 TIMING: 2329000 CPU: 6757.94, 0.00288938/step Wall: 6757.94, 0.00288938/step, 2.14376 hours remaining, 205.261719 MB of memory in use. ENERGY: 2329000 738.8873 2115.9384 1959.6833 124.3748 -205596.7351 17563.8244 0.0000 0.0000 34367.5530 -148726.4740 300.1404 -183094.0270 -148633.0986 300.9573 -120.9769 -88.3753 557844.3979 1.8412 1.8543 PRESSURE: 2329200 -104.381 -173.13 -144.432 -173.13 -371.339 -40.2409 -144.433 -40.2401 -117.262 GPRESSURE: 2329200 -29.187 -171.363 -207.188 -82.8139 -317.36 29.5881 -59.0408 -102 -142.924 PRESSAVG: 2329200 -24.8693 21.745 36.7652 21.7449 42.0467 69.1321 36.7652 69.1322 -13.541 GPRESSAVG: 2329200 -23.4422 23.0799 36.834 21.4984 40.4826 69.8492 37.9992 67.7292 -13.3804 TIMING: 2329200 CPU: 6758.52, 0.00289532/step Wall: 6758.52, 0.00289532/step, 2.14801 hours remaining, 205.261719 MB of memory in use. ENERGY: 2329200 740.5741 2138.4600 1965.2531 107.4677 -205594.9829 17339.3304 0.0000 0.0000 34448.1655 -148855.7322 300.8444 -183303.8977 -148759.6887 300.4932 -197.6606 -163.1570 556511.9686 1.2122 1.2200 PRESSURE: 2329400 145.679 -14.453 71.5765 -14.4534 -214.311 95.1286 71.5748 95.1276 230.344 GPRESSURE: 2329400 201.41 -82.5191 -20.2401 -8.62663 -189.995 6.98323 184.942 31.5134 243.556 PRESSAVG: 2329400 -40.3931 -62.6482 38.3644 -62.6482 50.97 12.7983 38.3644 12.7982 8.21238 GPRESSAVG: 2329400 -39.2743 -62.8096 35.6384 -63.7426 50.5059 12.4798 39.087 13.5605 7.54848 TIMING: 2329400 CPU: 6759.1, 0.00288282/step Wall: 6759.1, 0.00288282/step, 2.13857 hours remaining, 205.261719 MB of memory in use. ENERGY: 2329400 734.2023 2077.6292 1972.1592 118.8807 -206057.6561 17863.5664 0.0000 0.0000 34279.2208 -149011.9973 299.3690 -183291.2181 -148911.8845 300.8571 53.9041 84.9903 555420.7070 6.2631 6.2600 PRESSURE: 2329600 -24.0054 94.8873 -54.3218 94.8875 17.8035 -28.8228 -54.3208 -28.8239 90.1142 GPRESSURE: 2329600 -72.2682 45.2281 -46.5355 149.377 41.8233 -31.2436 -144.438 -2.65334 207.462 PRESSAVG: 2329600 -10.6544 -38.8637 13.7225 -38.8638 5.69008 -19.5736 13.7226 -19.5735 63.7737 GPRESSAVG: 2329600 -12.733 -39.7015 15.2031 -38.7184 6.88094 -19.3238 11.4573 -20.1956 64.4742 TIMING: 2329600 CPU: 6759.67, 0.00289028/step Wall: 6759.67, 0.00289028/step, 2.14395 hours remaining, 205.261719 MB of memory in use. ENERGY: 2329600 773.2867 2070.7892 1953.3703 121.9867 -206080.1364 17931.9301 0.0000 0.0000 34336.0049 -148892.7684 299.8649 -183228.7733 -148792.7360 299.8029 27.9708 59.0057 556732.8664 19.6031 19.5407 PRESSURE: 2329800 -224.683 37.965 -20.0188 37.9655 -201.943 -111.813 -20.0191 -111.813 -35.6641 GPRESSURE: 2329800 -204.073 29.5308 -9.32591 61.9884 -221.593 -126.199 -30.7461 -152.775 59.5668 PRESSAVG: 2329800 -43.422 16.6191 4.68551 16.619 27.5065 -43.4967 4.68552 -43.4967 54.5186 GPRESSAVG: 2329800 -43.9246 17.2936 6.46781 17.3246 27.3721 -44.3255 2.95604 -42.4826 54.9333 TIMING: 2329800 CPU: 6760.25, 0.00290445/step Wall: 6760.25, 0.00290445/step, 2.1543 hours remaining, 205.320312 MB of memory in use. ENERGY: 2329800 793.4728 2073.4008 1976.7296 108.8572 -206025.7163 17841.6706 0.0000 0.0000 34406.8753 -148824.7100 300.4838 -183231.5853 -148727.0963 300.0116 -154.0966 -122.0332 559223.1731 12.8677 12.7936 PRESSURE: 2330000 -372.474 -184.581 -106.366 -184.582 130.51 34.1417 -106.367 34.1411 6.89052 GPRESSURE: 2330000 -293.691 -250.802 -66.7574 -145.359 167.467 9.11837 -121.958 44.0914 0.416197 PRESSAVG: 2330000 -41.2088 -37.7647 -50.7069 -37.7647 -14.3517 16.5124 -50.7069 16.5124 34.3095 GPRESSAVG: 2330000 -39.3354 -37.0098 -49.4364 -38.0432 -15.0516 16.8027 -49.3819 15.1399 33.0757 TIMING: 2330000 CPU: 6760.84, 0.0029115/step Wall: 6760.84, 0.0029115/step, 2.15936 hours remaining, 205.320312 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: 2330000 688.1994 2119.4412 1959.4659 108.1297 -205807.0759 17663.0778 0.0000 0.0000 34361.1331 -148907.6288 300.0843 -183268.7620 -148806.4681 300.0634 -78.3579 -41.9359 558671.3924 -7.0837 -7.1038 PRESSURE: 2330200 -199.354 27.3419 360.663 27.3421 111.023 -148.365 360.663 -148.364 -254.812 GPRESSURE: 2330200 -122.546 30.6389 312.005 -9.42529 134.087 -193.948 297.654 -164.785 -270.993 PRESSAVG: 2330200 -86.3799 -49.114 -33.1765 -49.1139 60.0625 -61.5651 -33.1765 -61.5651 -41.3739 GPRESSAVG: 2330200 -88.9657 -50.0421 -35.1826 -47.8736 60.6199 -59.4933 -32.1475 -60.9203 -39.36 TIMING: 2330200 CPU: 6761.42, 0.00290557/step Wall: 6761.42, 0.00290557/step, 2.1548 hours remaining, 205.320312 MB of memory in use. ENERGY: 2330200 754.5422 2078.9159 1957.4172 119.9291 -205898.0149 17644.5710 0.0000 0.0000 34502.3668 -148840.2727 301.3178 -183342.6395 -148751.4499 300.5461 -114.3810 -86.4841 557473.6800 -22.5637 -22.5686 PRESSURE: 2330400 54.3948 -2.54179 141.613 -2.54219 138.07 102.255 141.613 102.256 230.981 GPRESSURE: 2330400 122.792 -46.5788 151.411 -0.437693 205.522 113.069 114.413 93.3098 187.072 PRESSAVG: 2330400 -24.4516 31.6821 6.84027 31.6821 -8.03183 26.1148 6.84019 26.1147 26.4494 GPRESSAVG: 2330400 -23.1674 30.5247 8.69897 31.5246 -9.13707 25.8735 5.22642 26.0337 26.4066 TIMING: 2330400 CPU: 6762, 0.00290698/step Wall: 6762, 0.00290698/step, 2.15569 hours remaining, 205.320312 MB of memory in use. ENERGY: 2330400 746.3945 2059.2288 1972.2557 108.3200 -206303.2197 17914.1187 0.0000 0.0000 34569.2349 -148933.6672 301.9017 -183502.9021 -148834.8033 300.3315 141.1486 171.7951 557189.6694 -2.0113 -1.9660 PRESSURE: 2330600 29.9431 47.9477 197.335 47.9473 -93.3142 -132.877 197.335 -132.877 87.7355 GPRESSURE: 2330600 54.0547 96.6155 118.883 36.5424 -57.2373 -200.909 199.488 -71.6865 123.726 PRESSAVG: 2330600 -4.82395 23.588 -16.0132 23.5881 -36.1752 -52.7446 -16.0133 -52.7446 35.7062 GPRESSAVG: 2330600 -5.45478 23.7516 -16.8705 22.7686 -35.8627 -53.4782 -16.0028 -53.867 36.6625 TIMING: 2330600 CPU: 6762.58, 0.00292386/step Wall: 6762.58, 0.00292386/step, 2.16804 hours remaining, 205.320312 MB of memory in use. ENERGY: 2330600 755.9956 2043.9274 1985.2494 124.1737 -205954.7114 17783.1995 0.0000 0.0000 34159.2615 -149102.9043 298.3213 -183262.1658 -149002.0894 299.5097 8.1215 40.1813 558329.2192 -1.7643 -1.5517 PRESSURE: 2330800 112.557 75.7571 2.36179 75.7575 -165.763 -73.5973 2.36261 -73.5965 -1.06356 GPRESSURE: 2330800 190.356 129.233 7.3721 1.20221 -145.007 -19.8308 -26.429 -73.6477 -0.979831 PRESSAVG: 2330800 48.9764 17.3939 41.29 17.3939 -53.5074 -73.1482 41.29 -73.1481 20.5427 GPRESSAVG: 2330800 49.7372 15.5145 41.4955 18.8113 -53.6292 -74.9327 42.3159 -71.2996 19.5834 TIMING: 2330800 CPU: 6763.17, 0.00292489/step Wall: 6763.17, 0.00292489/step, 2.16864 hours remaining, 205.320312 MB of memory in use. ENERGY: 2330800 708.8172 2096.2435 1969.6700 110.2631 -206190.4774 17664.4291 0.0000 0.0000 34357.8650 -149283.1895 300.0558 -183641.0544 -149183.9854 298.8499 -18.0899 14.7896 556888.1388 5.3372 5.2304 PRESSURE: 2331000 -275.98 -25.0883 -164.289 -25.0876 -165.304 92.5982 -164.288 92.5987 2.02331 GPRESSURE: 2331000 -221.638 -9.84358 -167.687 7.30471 -133.54 46.5033 -105.183 133.073 15.1615 PRESSAVG: 2331000 39.1158 34.0429 12.6006 34.0429 -13.7046 20.4398 12.6006 20.4397 20.0876 GPRESSAVG: 2331000 39.9683 37.3601 12.8195 31.4485 -13.722 21.5406 12.3593 21.607 19.7426 TIMING: 2331000 CPU: 6763.75, 0.00291385/step Wall: 6763.75, 0.00291385/step, 2.1603 hours remaining, 205.320312 MB of memory in use. ENERGY: 2331000 728.7100 2075.9600 1958.7426 111.3914 -206069.9096 17567.3716 0.0000 0.0000 34180.7824 -149446.9517 298.5093 -183627.7341 -149344.7680 298.1132 -146.4201 -113.3389 557129.5332 15.1663 15.3296 PRESSURE: 2331200 -108.376 -3.15754 -71.7413 -3.15705 -234.641 32.7255 -71.741 32.726 34.5154 GPRESSURE: 2331200 -44.6551 -24.3773 30.7163 -53.0251 -223.147 58.0015 -98.1055 41.6941 54.5785 PRESSAVG: 2331200 -64.7603 29.5855 -20.6992 29.5856 -40.6354 17.9198 -20.6991 17.9199 26.7728 GPRESSAVG: 2331200 -64.559 26.3662 -22.8112 31.1954 -40.441 18.391 -19.335 14.8396 26.3134 TIMING: 2331200 CPU: 6764.33, 0.00289453/step Wall: 6764.33, 0.00289453/step, 2.14581 hours remaining, 205.320312 MB of memory in use. ENERGY: 2331200 758.9462 2073.9902 1933.6245 115.1115 -206127.0296 17668.5857 0.0000 0.0000 34158.0750 -149418.6966 298.3110 -183576.7716 -149326.9629 299.1662 -102.8336 -71.0747 556795.2806 -26.2076 -26.2289 PRESSURE: 2331400 1.81805 11.2673 117.738 11.2689 69.7246 -150.883 117.74 -150.884 78.3043 GPRESSURE: 2331400 36.4813 70.0824 165.836 68.0952 103.715 -50.4328 79.1306 -94.1343 105.239 PRESSAVG: 2331400 42.9946 36.3954 -43.5566 36.3953 15.2629 49.689 -43.5566 49.6888 -10.6281 GPRESSAVG: 2331400 41.6518 37.2843 -40.3522 37.0845 16.7643 48.3777 -44.2242 51.4569 -10.5292 TIMING: 2331400 CPU: 6764.91, 0.00289694/step Wall: 6764.91, 0.00289694/step, 2.14743 hours remaining, 205.320312 MB of memory in use. ENERGY: 2331400 747.4446 2138.4298 1980.1017 118.0565 -206729.0005 18125.3105 0.0000 0.0000 34154.7213 -149464.9361 298.2817 -183619.6574 -149369.4489 299.8431 49.9490 81.8120 557160.5326 15.8765 15.9623 PRESSURE: 2331600 41.5185 67.6495 -228.385 67.649 -68.3993 148.988 -228.384 148.988 50.1279 GPRESSURE: 2331600 51.2813 20.4245 -259.445 147.969 44.945 113.627 -104.639 87.8376 42.7206 PRESSAVG: 2331600 -13.3473 22.7692 1.56854 22.7692 67.0067 -27.4733 1.56855 -27.4734 -29.0427 GPRESSAVG: 2331600 -12.2159 23.7564 -1.32758 21.0939 66.0264 -25.8617 2.05099 -29.3432 -29.577 TIMING: 2331600 CPU: 6765.49, 0.00289558/step Wall: 6765.49, 0.00289558/step, 2.14627 hours remaining, 205.320312 MB of memory in use. ENERGY: 2331600 759.2602 2089.1664 1988.7253 111.4331 -206236.1085 17981.0777 0.0000 0.0000 33953.4088 -149353.0369 296.5236 -183306.4457 -149262.1438 298.8568 7.7490 46.3156 557348.4965 8.2056 8.0779 PRESSURE: 2331800 -56.3554 95.6386 -81.8342 95.6391 -174.481 -11.0699 -81.8333 -11.0697 -123.596 GPRESSURE: 2331800 -29.5755 126.798 -86.95 97.8066 -130.424 -0.323689 -48.729 62.178 -121.62 PRESSAVG: 2331800 34.9212 -48.5568 17.2477 -48.5567 17.8594 -18.5235 17.2475 -18.5234 -23.3963 GPRESSAVG: 2331800 34.1087 -50.0598 18.9174 -46.5209 18.2078 -18.3029 16.8005 -17.5537 -22.7961 TIMING: 2331800 CPU: 6766.06, 0.00286871/step Wall: 6766.06, 0.00286871/step, 2.12619 hours remaining, 205.320312 MB of memory in use. ENERGY: 2331800 757.1766 2078.3367 1952.6995 110.6776 -206309.7528 17705.3083 0.0000 0.0000 34343.7333 -149361.8208 299.9324 -183705.5541 -149260.9304 298.1222 -118.1442 -93.8732 558257.6309 9.7947 9.8402 PRESSURE: 2332000 1.38708 -66.3924 -141.718 -66.3919 -73.035 33.2906 -141.718 33.2898 435.37 GPRESSURE: 2332000 92.5218 -66.0868 -131.319 -105.114 -30.5119 -8.56301 -87.6112 -22.7127 385.941 PRESSAVG: 2332000 -25.8868 11.3569 -70.8062 11.3569 27.2225 2.86531 -70.8062 2.86537 10.2322 GPRESSAVG: 2332000 -25.6697 12.303 -70.9462 10.0686 26.4238 0.298184 -70.1924 3.27881 10.2629 TIMING: 2332000 CPU: 6766.64, 0.00289547/step Wall: 6766.64, 0.00289547/step, 2.14586 hours remaining, 205.320312 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: 2332000 730.1080 2029.2419 1966.4918 119.1762 -206379.1535 18006.5469 0.0000 0.0000 34117.7823 -149409.8064 297.9591 -183527.5888 -149312.8309 298.9996 121.2408 149.3171 556882.6653 3.8560 3.6723 PRESSURE: 2332200 -26.0078 -68.1802 5.40347 -68.1789 24.4706 -158.588 5.40525 -158.588 -229.008 GPRESSURE: 2332200 39.065 -112.842 41.4726 -27.3452 -12.1977 -124.087 -78.6732 -197.384 -165.245 PRESSAVG: 2332200 1.98544 -20.3977 -57.9675 -20.3977 -13.8301 26.3485 -57.9675 26.3485 36.8367 GPRESSAVG: 2332200 1.56308 -20.0867 -58.1951 -18.4813 -14.3453 27.3299 -56.9077 26.4391 38.1725 TIMING: 2332200 CPU: 6767.22, 0.00288731/step Wall: 6767.22, 0.00288731/step, 2.13965 hours remaining, 205.320312 MB of memory in use. ENERGY: 2332200 742.3341 2082.2588 1962.3186 119.2774 -206257.8785 17809.7883 0.0000 0.0000 34096.1927 -149445.7086 297.7705 -183541.9013 -149354.9886 298.6042 -76.8485 -46.1259 557662.1174 8.3307 8.4634 LDB: ============= START OF LOAD BALANCING ============== 6770.68 LDB: ============== END OF LOAD BALANCING =============== 6770.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6770.68 LDB: ============= START OF LOAD BALANCING ============== 6770.97 LDB: Largest compute 4821 load 0.029283 is 24.9% of average load 0.117753 LDB: Average compute 0.001723 is 1.5% of average load 0.117753 LDB: TIME 6770.98 LOAD: AVG 0.117753 MAX 0.179067 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.793 MB LDB: TIME 6770.98 LOAD: AVG 0.117753 MAX 0.179067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.863 MB LDB: TIME 6770.98 LOAD: AVG 0.117753 MAX 0.179067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6770.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6770.98 PRESSURE: 2332400 -170.527 -62.8779 75.7563 -62.8775 -8.69272 -152.303 75.7575 -152.303 39.5474 GPRESSURE: 2332400 -153.98 -17.4803 81.555 -34.996 24.2553 -156.353 79.4159 -131.037 93.1122 PRESSAVG: 2332400 -46.6627 -2.30669 -54.0717 -2.30675 62.9741 -9.39836 -54.0717 -9.39832 -34.382 GPRESSAVG: 2332400 -45.7544 -2.0071 -54.0596 -3.43242 63.9319 -7.67754 -55.785 -9.98079 -35.9844 TIMING: 2332400 CPU: 6767.81, 0.0029388/step Wall: 6767.81, 0.0029388/step, 2.17765 hours remaining, 205.917969 MB of memory in use. ENERGY: 2332400 720.4688 2091.9632 1986.7669 130.0387 -206201.0624 17777.2579 0.0000 0.0000 34222.3001 -149272.2668 298.8719 -183494.5669 -149172.1872 299.1070 -46.5575 -12.2040 558770.2635 -6.0235 -5.9357 PRESSURE: 2332600 -301.048 18.1551 -102.758 18.1546 -12.6469 142.335 -102.758 142.336 -20.7492 GPRESSURE: 2332600 -231.659 42.0144 -174.673 39.6806 -65.4563 53.6257 -38.5553 161.646 57.5959 PRESSAVG: 2332600 -24.9609 -68.7806 -3.16952 -68.7806 17.8316 -29.8396 -3.16964 -29.8395 61.9474 GPRESSAVG: 2332600 -25.6585 -69.1277 -3.97394 -68.2185 17.1893 -30.3426 -3.33974 -28.8166 62.9826 TIMING: 2332600 CPU: 6768.39, 0.00289732/step Wall: 6768.39, 0.00289732/step, 2.14675 hours remaining, 205.917969 MB of memory in use. ENERGY: 2332600 725.6236 2071.4132 1961.0109 115.5239 -206139.4975 17562.3679 0.0000 0.0000 34308.7730 -149394.7850 299.6270 -183703.5580 -149299.2710 299.3525 -111.4812 -79.8398 558007.3642 18.2727 18.1711 PRESSURE: 2332800 444.807 -23.4088 76.9555 -23.4087 45.8704 -81.3663 76.9555 -81.3659 78.8953 GPRESSURE: 2332800 452.223 -11.9935 66.8824 -0.985568 55.3237 -81.4184 69.9998 -27.483 164.6 PRESSAVG: 2332800 -24.9673 -51.1677 28.6803 -51.1677 -5.25936 10.3982 28.6803 10.3981 34.0663 GPRESSAVG: 2332800 -25.2031 -52.1639 29.3022 -50.5949 -5.8317 9.83146 28.3192 9.96804 34.8378 TIMING: 2332800 CPU: 6768.97, 0.0029061/step Wall: 6768.97, 0.0029061/step, 2.1531 hours remaining, 205.917969 MB of memory in use. ENERGY: 2332800 698.0235 2077.2229 1955.6564 105.1248 -206649.4444 18087.3151 0.0000 0.0000 34184.1445 -149541.9573 298.5386 -183726.1018 -149441.1171 298.7630 189.8575 224.0489 556201.8306 1.2799 1.2676 PRESSURE: 2333000 -167.709 64.3363 210.594 64.335 -117.209 125.797 210.594 125.797 -37.2101 GPRESSURE: 2333000 -87.9991 81.467 148.346 85.0961 -103.086 89.6148 225.224 83.8705 -36.645 PRESSAVG: 2333000 50.792 -21.4066 -0.618144 -21.4067 16.4736 -52.1692 -0.61819 -52.1693 -30.8209 GPRESSAVG: 2333000 51.0727 -19.3082 -1.90088 -22.1359 17.6175 -52.636 0.15335 -52.4491 -32.3101 TIMING: 2333000 CPU: 6769.55, 0.00289626/step Wall: 6769.55, 0.00289626/step, 2.14565 hours remaining, 205.917969 MB of memory in use. ENERGY: 2333000 715.6396 2067.8897 1954.6513 110.5815 -206096.7746 17754.5751 0.0000 0.0000 34088.7827 -149404.6547 297.7058 -183493.4375 -149304.6753 298.3859 -107.3762 -75.9101 557181.9145 12.1482 12.1267 PRESSURE: 2333200 130.101 67.9477 13.9585 67.947 -7.81696 -44.5699 13.959 -44.5691 -202.753 GPRESSURE: 2333200 103.51 112.235 -25.5724 -77.8368 54.1929 -87.6133 23.3901 -65.6638 -139.731 PRESSAVG: 2333200 -12.8108 -38.9169 19.1685 -38.9168 -22.7836 -31.7352 19.1686 -31.7351 -15.5921 GPRESSAVG: 2333200 -12.9871 -41.1595 17.9947 -39.7812 -22.3764 -30.3202 19.7235 -31.2967 -15.6156 TIMING: 2333200 CPU: 6770.13, 0.00290565/step Wall: 6770.13, 0.00290565/step, 2.15244 hours remaining, 205.917969 MB of memory in use. ENERGY: 2333200 759.2814 2083.2659 1955.1804 110.6930 -205919.3764 17567.4775 0.0000 0.0000 34182.0454 -149261.4328 298.5203 -183443.4782 -149171.6797 298.4839 -26.8231 5.9907 558320.3412 -17.0622 -16.9931 PRESSURE: 2333400 170.773 -127.233 -6.02503 -127.235 -92.2915 -81.6995 -6.02447 -81.7004 47.094 GPRESSURE: 2333400 166.574 -165.793 40.9047 -99.4489 -17.6463 -81.5928 -52.2657 -84.9788 75.7047 PRESSAVG: 2333400 34.9406 -29.8736 -28.2026 -29.8736 19.3624 5.34951 -28.2026 5.34948 -17.8987 GPRESSAVG: 2333400 35.2704 -28.5494 -26.731 -30.7809 18.2941 7.12195 -29.3067 3.74965 -17.0856 TIMING: 2333400 CPU: 6770.71, 0.002917/step Wall: 6770.71, 0.002917/step, 2.16069 hours remaining, 205.917969 MB of memory in use. ENERGY: 2333400 745.8006 2039.9052 1982.4177 112.7673 -206645.0588 18045.8202 0.0000 0.0000 34428.7143 -149289.6335 300.6745 -183718.3479 -149188.1231 298.8231 41.8584 74.8775 557382.0166 12.1348 12.1596 PRESSURE: 2333600 -302.98 -57.0774 221.763 -57.0769 -239.415 -93.2714 221.763 -93.2725 8.75044 GPRESSURE: 2333600 -199.714 -77.0394 184.246 -120.989 -255.251 -151.961 269.023 1.16334 26.0569 PRESSAVG: 2333600 -6.34009 26.9947 -23.9075 26.9946 -13.3229 12.1085 -23.9074 12.1085 0.540231 GPRESSAVG: 2333600 -6.17927 25.6498 -24.9484 29.2501 -12.5839 12.4543 -22.0124 12.1769 -0.61305 TIMING: 2333600 CPU: 6771.29, 0.00288675/step Wall: 6771.29, 0.00288675/step, 2.13812 hours remaining, 205.988281 MB of memory in use. ENERGY: 2333600 784.1566 2045.8097 1964.2087 126.2587 -205875.1034 17590.2969 0.0000 0.0000 34268.0765 -149096.2964 299.2716 -183364.3729 -148997.5656 299.3369 -177.8816 -142.9696 559029.7935 -6.3743 -6.4587 PRESSURE: 2333800 -243.178 137.298 16.9649 137.299 59.1144 -143.228 16.9649 -143.228 101.844 GPRESSURE: 2333800 -227.8 38.7985 15.6898 192.751 102.49 -37.2011 -65.9829 -132.939 128.634 PRESSAVG: 2333800 -27.1438 6.49384 -23.2037 6.49382 11.5675 -3.77447 -23.2036 -3.77457 29.4307 GPRESSAVG: 2333800 -28.2067 7.51294 -23.0429 4.05585 11.5346 -5.59854 -24.7834 -3.23048 30.14 TIMING: 2333800 CPU: 6771.87, 0.00289011/step Wall: 6771.87, 0.00289011/step, 2.14045 hours remaining, 206.203125 MB of memory in use. ENERGY: 2333800 730.7715 2120.8483 1957.8178 130.9826 -206071.9927 17818.9007 0.0000 0.0000 34325.3561 -148987.3157 299.7719 -183312.6718 -148880.7918 299.6570 -27.4064 1.1082 558116.9922 4.6181 4.4893 PRESSURE: 2334000 38.8356 -46.0748 -16.2667 -46.0754 222.804 -36.9408 -16.267 -36.9399 -4.29225 GPRESSURE: 2334000 22.0691 -32.6517 38.5913 -85.0097 280.484 -38.6905 -16.1132 -36.6702 56.3 PRESSAVG: 2334000 -7.02357 6.63534 48.3918 6.63532 10.5151 -17.5286 48.3919 -17.5286 16.324 GPRESSAVG: 2334000 -5.33412 5.2645 50.7249 10.205 10.2404 -16.4613 47.4096 -16.9233 14.9719 TIMING: 2334000 CPU: 6772.45, 0.00288772/step Wall: 6772.45, 0.00288772/step, 2.13852 hours remaining, 206.203125 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: 2334000 718.7188 2088.6993 1919.5645 108.7801 -206079.1123 17873.8942 0.0000 0.0000 34402.0729 -148967.3824 300.4419 -183369.4553 -148876.2807 300.0548 85.7826 119.6176 558352.1815 6.6052 6.6261 PRESSURE: 2334200 100.188 -119.054 23.6944 -119.054 236.658 85.9347 23.694 85.934 -61.2041 GPRESSURE: 2334200 119.116 -111.646 59.6287 -156.538 266.479 96.8667 15.441 66.1456 -8.34832 PRESSAVG: 2334200 -75.3872 -57.5509 1.43211 -57.5508 52.7113 -49.288 1.43218 -49.2882 15.221 GPRESSAVG: 2334200 -76.1611 -55.3955 0.78748 -59.816 52.792 -50.6101 1.72416 -50.2893 16.2682 TIMING: 2334200 CPU: 6773.03, 0.00290228/step Wall: 6773.03, 0.00290228/step, 2.14914 hours remaining, 206.203125 MB of memory in use. ENERGY: 2334200 736.7422 2110.2683 1931.4315 130.9783 -206418.9053 18151.5577 0.0000 0.0000 34322.4165 -149035.5108 299.7462 -183357.9273 -148935.4459 299.7090 91.8807 125.7488 558759.4977 -2.4850 -2.3670 PRESSURE: 2334400 58.8828 46.9583 222.308 46.9574 -41.5464 -28.7733 222.308 -28.7739 24.8653 GPRESSURE: 2334400 42.3128 65.2482 177.819 125.889 -0.568352 -54.537 163.899 -83.2566 86.8375 PRESSAVG: 2334400 90.3539 -4.32615 19.4271 -4.32607 -22.147 -0.11441 19.4271 -0.114396 -45.2764 GPRESSAVG: 2334400 89.4272 -5.96743 19.1301 -3.38729 -21.8103 -2.33331 19.5112 1.2625 -44.465 TIMING: 2334400 CPU: 6773.6, 0.00289043/step Wall: 6773.6, 0.00289043/step, 2.1402 hours remaining, 206.203125 MB of memory in use. ENERGY: 2334400 788.8221 2077.6325 1951.0484 109.7894 -206490.2446 17934.6935 0.0000 0.0000 34489.0953 -149139.1633 301.2018 -183628.2586 -149038.1194 299.6697 14.0672 42.8606 556624.5362 7.6435 7.7173 PRESSURE: 2334600 -42.7316 47.4321 4.20673 47.4303 -46.96 25.7653 4.2053 25.7667 48.2842 GPRESSURE: 2334600 28.3812 2.18779 62.2593 76.2292 -28.8288 158.185 -45.1934 -48.9855 61.0689 PRESSAVG: 2334600 84.5216 49.766 -2.27251 49.7658 -73.1654 26.2905 -2.27255 26.2906 -45.1198 GPRESSAVG: 2334600 85.2012 49.7825 -0.650302 49.3514 -73.7996 28.7609 -1.46438 25.5361 -45.4084 TIMING: 2334600 CPU: 6774.18, 0.00289982/step Wall: 6774.18, 0.00289982/step, 2.147 hours remaining, 206.203125 MB of memory in use. ENERGY: 2334600 760.8957 2079.2511 1954.7871 122.0854 -206197.0171 17881.4826 0.0000 0.0000 34238.7823 -149159.7328 299.0158 -183398.5151 -149064.6717 299.7635 -13.8025 20.2071 557253.8267 -11.2545 -11.3356 PRESSURE: 2334800 103.532 -73.621 -58.2314 -73.6202 -152.9 -54.0808 -58.2321 -54.0827 -51.6649 GPRESSURE: 2334800 38.0555 -40.9403 -102.797 -125.543 -97.7843 -56.7679 -58.7257 -37.2327 66.2099 PRESSAVG: 2334800 36.6234 12.8559 -22.8014 12.8559 -66.544 -27.6786 -22.8014 -27.6785 8.326 GPRESSAVG: 2334800 36.8514 12.863 -24.5508 13.4995 -67.0233 -24.4305 -21.6541 -28.8643 8.626 TIMING: 2334800 CPU: 6774.76, 0.00289386/step Wall: 6774.76, 0.00289386/step, 2.14242 hours remaining, 206.203125 MB of memory in use. ENERGY: 2334800 719.9552 2037.1927 1961.1468 99.7224 -206011.3984 17548.6039 0.0000 0.0000 34365.8146 -149278.9628 300.1252 -183644.7774 -149175.5296 298.5450 -33.6779 2.1604 556960.5380 -7.1982 -7.1820 PRESSURE: 2335000 -75.6361 20.4695 -111.216 20.4703 -93.5715 -3.01261 -111.215 -3.01199 -236.797 GPRESSURE: 2335000 -9.75159 6.16733 -105.065 39.642 -99.8795 -28.4802 -68.0037 39.0102 -188.093 PRESSAVG: 2335000 11.8354 -55.0276 -7.67048 -55.0278 34.5417 -12.6256 -7.67048 -12.6255 -15.1489 GPRESSAVG: 2335000 12.1606 -55.8714 -9.51251 -56.3095 34.5603 -15.0321 -7.69333 -10.5182 -15.2713 TIMING: 2335000 CPU: 6775.34, 0.00290436/step Wall: 6775.34, 0.00290436/step, 2.15003 hours remaining, 206.203125 MB of memory in use. ENERGY: 2335000 749.7366 2130.2291 1993.5118 115.9692 -205642.6087 17375.3928 0.0000 0.0000 34123.6136 -149154.1555 298.0100 -183277.7692 -149057.8889 298.5893 -135.3348 -99.2414 555964.5149 10.4094 10.4832 PRESSURE: 2335200 131.444 -33.7677 109.062 -33.7674 -77.2418 22.6004 109.06 22.5986 -143.785 GPRESSURE: 2335200 167.625 -52.7069 107.741 40.4949 -40.9145 -19.4424 112.123 26.8543 -105.914 PRESSAVG: 2335200 34.1581 9.83499 17.5806 9.83504 2.3031 24.3509 17.5806 24.351 -18.5663 GPRESSAVG: 2335200 34.9775 8.49056 18.7864 9.78281 1.80403 24.0455 17.4177 23.3536 -18.7629 TIMING: 2335200 CPU: 6775.92, 0.00287775/step Wall: 6775.92, 0.00287775/step, 2.13018 hours remaining, 206.203125 MB of memory in use. ENERGY: 2335200 744.3136 2115.0407 1965.9611 104.5414 -205993.7289 17614.5041 0.0000 0.0000 34233.9857 -149215.3822 298.9739 -183449.3680 -149116.2988 299.3091 -29.8609 6.9320 556984.8523 5.9650 6.0062 PRESSURE: 2335400 185.411 -42.2979 8.53161 -42.2974 -52.1206 99.409 8.531 99.4089 109.993 GPRESSURE: 2335400 215.982 -73.6895 22.0836 36.9346 -2.67938 85.0723 81.4826 162.069 119.431 PRESSAVG: 2335400 12.3421 -2.57596 -13.2503 -2.57609 -34.5592 30.8319 -13.2503 30.8318 -16.6148 GPRESSAVG: 2335400 11.8974 -0.644699 -10.8858 -2.33058 -34.5067 28.8628 -13.5875 33.1417 -16.402 TIMING: 2335400 CPU: 6776.5, 0.00289699/step Wall: 6776.5, 0.00289699/step, 2.14426 hours remaining, 206.203125 MB of memory in use. ENERGY: 2335400 746.1749 2092.0464 1972.0495 108.1996 -206382.5056 17981.8448 0.0000 0.0000 34101.1352 -149381.0553 297.8137 -183482.1905 -149280.0885 298.8071 81.0945 110.9112 557846.9352 -12.9440 -13.0038 PRESSURE: 2335600 -170.077 -34.0067 -60.4944 -34.0059 -66.0339 4.52443 -60.4945 4.52471 -54.0138 GPRESSURE: 2335600 -160.155 72.7954 -63.5311 -60.1928 -32.6617 -88.1193 31.997 -21.2703 5.19698 PRESSAVG: 2335600 -7.81708 14.7669 -9.77017 14.767 52.7749 -12.9504 -9.7702 -12.9505 3.23687 GPRESSAVG: 2335600 -7.46921 13.467 -8.23798 14.2502 52.7015 -11.4662 -12.5594 -13.6996 3.22337 TIMING: 2335600 CPU: 6777.08, 0.0029225/step Wall: 6777.08, 0.0029225/step, 2.16297 hours remaining, 206.203125 MB of memory in use. ENERGY: 2335600 695.2442 2173.9060 1992.4353 109.7087 -206385.4082 17627.8859 0.0000 0.0000 34423.9613 -149362.2669 300.6330 -183786.2282 -149262.4012 298.7757 -96.7081 -62.5399 557173.1108 16.0649 16.1519 PRESSURE: 2335800 79.7008 -83.3931 23.7934 -83.3928 190.501 97.6425 23.7931 97.6435 -38.5618 GPRESSURE: 2335800 79.6522 -119.424 -32.6845 -69.3403 238.044 61.3258 31.8838 147.728 0.406231 PRESSAVG: 2335800 24.1217 -31.639 8.50252 -31.6391 9.19158 58.6557 8.50261 58.6557 9.30227 GPRESSAVG: 2335800 24.6367 -31.7183 5.41836 -32.3301 9.88773 59.4448 10.3449 58.0036 7.76892 TIMING: 2335800 CPU: 6777.67, 0.00291715/step Wall: 6777.67, 0.00291715/step, 2.15886 hours remaining, 206.203125 MB of memory in use. ENERGY: 2335800 747.6096 2143.1406 1998.6719 123.0223 -206409.5061 17851.6303 0.0000 0.0000 34130.8080 -149414.6235 298.0728 -183545.4314 -149320.7157 298.9787 77.2133 106.0341 555169.5790 14.2052 14.0978 PRESSURE: 2336000 -186.697 -93.6412 -39.989 -93.6427 49.9633 -26.2471 -39.9891 -26.247 -297.839 GPRESSURE: 2336000 -159.683 -83.2344 -15.5269 -115.984 91.7963 73.7363 -91.788 -93.6746 -263.115 PRESSAVG: 2336000 -34.6002 52.2593 -9.3868 52.2593 36.9777 67.5502 -9.38671 67.5502 -35.3938 GPRESSAVG: 2336000 -36.1117 53.2085 -12.6039 51.6739 37.0437 67.3677 -9.60808 67.2888 -34.0709 TIMING: 2336000 CPU: 6778.25, 0.00293082/step Wall: 6778.25, 0.00293082/step, 2.16881 hours remaining, 206.203125 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: 2336000 718.0577 2047.6939 1976.6651 111.8568 -206225.4555 17468.1143 0.0000 0.0000 34258.8466 -149644.2211 299.1910 -183903.0678 -149544.5308 298.4168 -144.8577 -110.3339 555690.2086 -11.0054 -11.0463 PRESSURE: 2336200 -278.089 -75.3697 108.056 -75.3695 -366.478 92.9148 108.057 92.9145 120.013 GPRESSURE: 2336200 -203.516 -91.1899 104.427 -157.951 -358.321 95.8337 71.384 31.806 141.15 PRESSAVG: 2336200 4.00204 50.945 -20.4059 50.945 1.42894 -8.55602 -20.406 -8.55597 43.1928 GPRESSAVG: 2336200 4.22901 50.1835 -17.4052 52.4942 1.58219 -9.07425 -21.3358 -9.92198 42.6602 TIMING: 2336200 CPU: 6778.84, 0.00291411/step Wall: 6778.84, 0.00291411/step, 2.15628 hours remaining, 206.203125 MB of memory in use. ENERGY: 2336200 775.4483 2060.9125 1986.7661 102.7643 -205973.2678 17543.6454 0.0000 0.0000 34007.3329 -149496.3983 296.9945 -183503.7312 -149410.6142 297.7578 -174.8514 -140.2290 557638.3664 16.2079 16.1571 LDB: ============= START OF LOAD BALANCING ============== 6782.3 LDB: ============== END OF LOAD BALANCING =============== 6782.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6782.3 LDB: ============= START OF LOAD BALANCING ============== 6782.59 LDB: Largest compute 4821 load 0.029931 is 25.4% of average load 0.117744 LDB: Average compute 0.001722 is 1.5% of average load 0.117744 LDB: TIME 6782.59 LOAD: AVG 0.117744 MAX 0.178201 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 6782.59 LOAD: AVG 0.117744 MAX 0.178201 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.977 MB LDB: TIME 6782.59 LOAD: AVG 0.117744 MAX 0.178201 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.977 MB LDB: ============== END OF LOAD BALANCING =============== 6782.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6782.6 PRESSURE: 2336400 4.29748 -2.98 -118.652 -2.97975 66.1683 -53.5364 -118.653 -53.5362 126.579 GPRESSURE: 2336400 22.8251 3.85378 -4.20408 23.3295 128.832 -148.922 -37.0716 -79.2518 151.07 PRESSAVG: 2336400 -68.482 18.0623 -7.87643 18.0624 16.8123 -35.0378 -7.87634 -35.0377 38.6319 GPRESSAVG: 2336400 -68.4045 15.9501 -6.09495 19.0883 15.5091 -35.0776 -6.41801 -34.159 39.8391 TIMING: 2336400 CPU: 6779.42, 0.00293841/step Wall: 6779.42, 0.00293841/step, 2.1741 hours remaining, 205.550781 MB of memory in use. ENERGY: 2336400 729.2085 2071.5887 1970.0938 106.6915 -206550.3693 17979.1438 0.0000 0.0000 34255.4607 -149438.1822 299.1615 -183693.6429 -149331.0198 298.1836 65.6817 100.9090 555841.5330 -4.3460 -4.3521 PRESSURE: 2336600 -82.0727 -4.6091 -46.9382 -4.60849 -262.942 -3.12648 -46.9372 -3.12867 95.2319 GPRESSURE: 2336600 -35.2405 81.9228 -54.1968 -37.7481 -267.222 35.6792 -36.3896 0.213604 151.448 PRESSAVG: 2336600 23.4036 21.0483 -27.1689 21.0484 -20.03 7.93982 -27.1689 7.93971 -10.6254 GPRESSAVG: 2336600 23.0925 23.2844 -27.6729 19.3969 -18.3333 8.86554 -27.4606 9.69685 -11.2792 TIMING: 2336600 CPU: 6780, 0.00290262/step Wall: 6780, 0.00290262/step, 2.14745 hours remaining, 206.050781 MB of memory in use. ENERGY: 2336600 710.9457 2043.7670 1952.7927 107.9874 -206131.4591 17822.8912 0.0000 0.0000 34098.5229 -149394.5523 297.7909 -183493.0751 -149298.3907 298.8033 -83.2610 -50.3384 556768.2503 -2.4173 -2.1733 PRESSURE: 2336800 -14.7785 122.911 -55.1454 122.911 -366.796 -99.0399 -55.1437 -99.0387 -114.41 GPRESSURE: 2336800 13.8453 55.5681 27.3662 70.831 -308.366 16.602 -127.367 -140.696 -96.0404 PRESSAVG: 2336800 -38.0217 47.6975 -27.61 47.6975 -3.72848 13.6104 -27.6098 13.6104 19.5611 GPRESSAVG: 2336800 -37.1285 47.8029 -29.5831 47.8467 -4.96405 11.1603 -26.9777 15.1046 19.7772 TIMING: 2336800 CPU: 6780.58, 0.00288465/step Wall: 6780.58, 0.00288465/step, 2.134 hours remaining, 206.050781 MB of memory in use. ENERGY: 2336800 754.1328 2036.4551 1950.8437 129.3553 -205965.5120 17425.0004 0.0000 0.0000 34412.7753 -149256.9495 300.5353 -183669.7248 -149153.8736 298.9680 -165.3282 -130.1870 555267.1291 -7.3964 -7.4384 PRESSURE: 2337000 170.739 109.728 -81.0376 109.728 -48.2652 120.406 -81.0365 120.406 19.4125 GPRESSURE: 2337000 201.986 107.062 -91.4935 91.0191 -66.0187 126.714 -86.8693 180.276 92.6478 PRESSAVG: 2337000 26.2328 -29.4528 -23.3902 -29.4528 3.49583 21.406 -23.3903 21.406 10.3644 GPRESSAVG: 2337000 26.2805 -31.1764 -21.2066 -28.5427 3.86393 24.2357 -22.9271 18.6378 10.0367 TIMING: 2337000 CPU: 6781.16, 0.00290885/step Wall: 6781.16, 0.00290885/step, 2.15174 hours remaining, 206.050781 MB of memory in use. ENERGY: 2337000 744.7140 2075.5156 1975.9597 113.9425 -206156.9290 17769.1367 0.0000 0.0000 34215.5459 -149262.1148 298.8129 -183477.6606 -149170.0953 298.8342 47.2956 76.2050 556730.6139 13.3643 13.3937 PRESSURE: 2337200 -159.993 82.433 -31.8281 82.4322 -234.32 -123.616 -31.8279 -123.616 -5.10239 GPRESSURE: 2337200 -129.622 53.3293 -87.8192 93.018 -208.296 -138.655 23.5631 -116.906 44.8641 PRESSAVG: 2337200 10.3302 -4.45103 -39.4564 -4.45101 -68.3285 58.7129 -39.4564 58.7129 51.626 GPRESSAVG: 2337200 9.34868 -0.756253 -40.3977 -4.92309 -67.7962 59.9631 -39.9652 59.7287 51.9979 TIMING: 2337200 CPU: 6781.74, 0.00290095/step Wall: 6781.74, 0.00290095/step, 2.14573 hours remaining, 206.050781 MB of memory in use. ENERGY: 2337200 750.3705 2096.7675 1975.5357 118.2556 -206335.2819 17783.2569 0.0000 0.0000 34218.8469 -149392.2488 298.8417 -183611.0957 -149303.1603 298.4306 -133.1384 -97.6844 558068.9136 -2.1241 -2.1499 PRESSURE: 2337400 31.687 -224.427 67.7502 -224.425 -122.777 -15.3138 67.7493 -15.3133 -31.9372 GPRESSURE: 2337400 31.2302 -239.811 29.0205 -210.083 -81.4377 19.3857 65.8838 -0.483116 28.7057 PRESSAVG: 2337400 -13.9784 21.3732 10.9506 21.3733 -40.648 23.6001 10.9506 23.6 49.716 GPRESSAVG: 2337400 -13.6586 17.6406 10.9312 22.9033 -41.107 23.051 10.1071 22.5118 49.7938 TIMING: 2337400 CPU: 6782.32, 0.00288283/step Wall: 6782.32, 0.00288283/step, 2.13217 hours remaining, 206.050781 MB of memory in use. ENERGY: 2337400 748.8335 2137.7766 1940.2251 109.6980 -206455.4990 17964.4031 0.0000 0.0000 34065.3163 -149489.2465 297.5009 -183554.5627 -149395.6207 298.0411 -41.0090 -7.1672 559168.1759 -1.6368 -1.6573 PRESSURE: 2337600 -4.2928 156.527 28.1956 156.526 -82.2609 117.496 28.1969 117.497 117.194 GPRESSURE: 2337600 82.3466 178.98 2.00321 125.024 -62.7672 183.08 79.2228 137.515 108.558 PRESSAVG: 2337600 -7.90364 20.1335 -57.39 20.1335 -43.0852 14.4659 -57.3899 14.4659 -1.97402 GPRESSAVG: 2337600 -7.21756 19.9291 -56.8404 21.3233 -42.6348 13.4844 -56.681 13.4773 -3.66854 TIMING: 2337600 CPU: 6782.89, 0.00287625/step Wall: 6782.89, 0.00287625/step, 2.12715 hours remaining, 206.050781 MB of memory in use. ENERGY: 2337600 767.6555 2044.1809 1991.7842 120.6978 -206650.3768 18036.6818 0.0000 0.0000 34250.2235 -149439.1530 299.1157 -183689.3766 -149347.5783 298.0955 10.2134 42.7123 558579.3911 -17.6543 -17.8403 PRESSURE: 2337800 -44.6113 -103.237 -87.5477 -103.236 70.1876 -29.9083 -87.5475 -29.9078 -118.112 GPRESSURE: 2337800 -9.16808 -109.337 -136.033 -145.514 74.6171 9.49992 1.18416 -48.9456 -65.4057 PRESSAVG: 2337800 -19.0298 6.41394 -54.7201 6.41399 -16.8872 -9.96528 -54.7201 -9.96522 41.742 GPRESSAVG: 2337800 -20.1526 5.83925 -55.9406 6.28096 -16.7339 -11.7212 -53.1067 -9.44289 42.7245 TIMING: 2337800 CPU: 6783.47, 0.00287166/step Wall: 6783.47, 0.00287166/step, 2.12359 hours remaining, 206.050781 MB of memory in use. ENERGY: 2337800 743.0139 2115.1295 1955.5739 120.2838 -206313.3369 17853.0055 0.0000 0.0000 34077.9550 -149448.3753 297.6113 -183526.3303 -149350.9564 298.0579 -30.8454 0.0145 557833.8951 1.9417 1.9460 PRESSURE: 2338000 -65.6406 174.659 45.0505 174.658 110.976 130.685 45.0512 130.687 43.819 GPRESSURE: 2338000 -4.1223 172.882 96.2535 148.417 107.146 124.011 17.0161 98.2118 95.9514 PRESSAVG: 2338000 -58.1998 -1.71728 -27.4122 -1.71724 -45.1104 -25.1303 -27.4122 -25.1303 130.934 GPRESSAVG: 2338000 -57.2153 -1.41088 -26.0037 -2.77307 -47.3501 -22.7484 -28.1237 -22.6226 131.977 TIMING: 2338000 CPU: 6784.05, 0.00289654/step Wall: 6784.05, 0.00289654/step, 2.14183 hours remaining, 206.175781 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: 2338000 728.7880 2070.2223 1961.0602 117.7243 -206430.7860 17807.5528 0.0000 0.0000 34173.1701 -149572.2683 298.4428 -183745.4384 -149478.0506 298.2644 29.7180 66.3250 557300.8935 9.2078 9.1372 PRESSURE: 2338200 -227.747 -259.127 23.2565 -259.126 -193.581 23.1555 23.2578 23.1546 65.9165 GPRESSURE: 2338200 -216.506 -265.058 57.8973 -210.684 -148.887 -27.0015 59.9418 -40.4622 103.328 PRESSAVG: 2338200 -56.3773 -7.45587 -18.6202 -7.45583 -63.2035 -9.83085 -18.6202 -9.83085 100.315 GPRESSAVG: 2338200 -55.9896 -6.88522 -20.2868 -7.68776 -61.5327 -9.20183 -19.4502 -12.9556 98.0712 TIMING: 2338200 CPU: 6784.63, 0.00288999/step Wall: 6784.63, 0.00288999/step, 2.13682 hours remaining, 206.175781 MB of memory in use. ENERGY: 2338200 770.1060 2073.2541 1952.6813 114.9991 -206424.9013 17802.9512 0.0000 0.0000 34013.0639 -149697.8457 297.0445 -183710.9097 -149606.0652 298.1348 -118.4704 -87.3552 557623.4642 -6.4219 -6.4837 PRESSURE: 2338400 -122.13 -9.59067 78.382 -9.59119 -98.8085 77.5668 78.3818 77.5701 -87.4403 GPRESSURE: 2338400 -101.399 34.4719 112.736 -87.9925 -105.935 50.2088 58.2997 52.4142 2.66758 PRESSAVG: 2338400 -52.9632 -37.8142 72.1018 -37.8142 -61.8082 18.0218 72.1018 18.0218 90.9498 GPRESSAVG: 2338400 -53.901 -37.1545 73.9506 -38.3245 -62.3189 16.7905 69.8206 18.4553 93.3129 TIMING: 2338400 CPU: 6785.2, 0.0028928/step Wall: 6785.2, 0.0028928/step, 2.13875 hours remaining, 206.175781 MB of memory in use. ENERGY: 2338400 720.1694 2087.2096 1935.7950 107.5157 -206539.5343 17906.0260 0.0000 0.0000 34103.2764 -149679.5423 297.8324 -183782.8186 -149580.9990 297.9650 -102.7929 -68.2221 559690.9358 -7.9405 -7.6357 PRESSURE: 2338600 -20.5715 -110.505 -119.679 -110.505 -95.135 -131.535 -119.679 -131.535 -27.6168 GPRESSURE: 2338600 11.0254 -188.703 -68.8205 -60.7184 -59.3637 -187.979 -92.1746 -104.006 -3.62063 PRESSAVG: 2338600 3.09227 -20.8238 57.5464 -20.8237 -21.1776 -33.3289 57.5464 -33.3288 19.8407 GPRESSAVG: 2338600 2.50568 -22.6974 56.5036 -20.3776 -19.529 -32.7236 61.1022 -32.4521 18.88 TIMING: 2338600 CPU: 6785.78, 0.00289172/step Wall: 6785.78, 0.00289172/step, 2.13778 hours remaining, 206.175781 MB of memory in use. ENERGY: 2338600 717.2547 2045.6908 1937.7334 103.5223 -206777.4151 18051.7203 0.0000 0.0000 34314.0713 -149607.4223 299.6733 -183921.4936 -149506.8509 297.4838 -47.7744 -17.3196 558872.1785 0.5851 0.6189 PRESSURE: 2338800 33.0793 166.004 9.20801 166.003 110.899 -201.537 9.20756 -201.538 -74.4178 GPRESSURE: 2338800 58.0438 185.168 84.3245 154.17 115.557 -176.218 -85.0359 -175.543 -14.2368 PRESSAVG: 2338800 -31.6543 -5.65776 -36.0169 -5.65775 27.8091 -32.1504 -36.0168 -32.1503 30.7957 GPRESSAVG: 2338800 -31.4934 -4.50651 -34.3517 -4.00335 27.7189 -31.888 -39.1484 -32.853 30.6663 TIMING: 2338800 CPU: 6786.36, 0.00289602/step Wall: 6786.36, 0.00289602/step, 2.1408 hours remaining, 206.175781 MB of memory in use. ENERGY: 2338800 725.0369 2059.1328 1954.2485 124.7688 -206370.3661 17856.0266 0.0000 0.0000 33967.9229 -149683.2296 296.6503 -183651.1525 -149594.2131 298.0948 23.1870 53.1214 557336.6883 8.9835 8.9639 PRESSURE: 2339000 118.207 -102.678 112.882 -102.677 -21.8519 -113.407 112.882 -113.406 -10.2208 GPRESSURE: 2339000 216.971 -195.448 61.6141 -28.8669 -10.0609 -136.295 80.0848 -16.1969 -14.3718 PRESSAVG: 2339000 -50.0897 15.4936 16.8683 15.4935 -41.8069 -11.0412 16.8683 -11.0411 59.2043 GPRESSAVG: 2339000 -50.125 16.0926 13.9117 14.0507 -41.6704 -12.9478 19.5168 -10.1301 58.7086 TIMING: 2339000 CPU: 6786.94, 0.00289943/step Wall: 6786.94, 0.00289943/step, 2.14316 hours remaining, 206.175781 MB of memory in use. ENERGY: 2339000 711.3613 2064.3572 1949.5513 114.0514 -206158.4736 17823.2738 0.0000 0.0000 33887.7723 -149608.1063 295.9503 -183495.8786 -149509.7598 297.4012 28.7116 64.1794 557604.0878 -10.8974 -11.0289 PRESSURE: 2339200 21.9412 -179.942 -71.8766 -179.943 154.493 -76.8526 -71.8774 -76.8518 42.9157 GPRESSURE: 2339200 88.1862 -112.989 -71.2594 -88.8706 193.65 -64.0879 -84.7864 -20.2078 37.6988 PRESSAVG: 2339200 -60.0277 -5.24222 -25.8374 -5.24225 14.1852 1.78444 -25.8375 1.78448 48.8567 GPRESSAVG: 2339200 -60.6313 -4.66345 -23.9298 -5.11982 13.9503 2.43281 -28.092 2.49046 49.6778 TIMING: 2339200 CPU: 6787.52, 0.00289819/step Wall: 6787.52, 0.00289819/step, 2.14208 hours remaining, 206.175781 MB of memory in use. ENERGY: 2339200 704.0881 2124.4252 1966.5018 112.9128 -206468.2713 17922.1351 0.0000 0.0000 34172.9386 -149465.2698 298.4408 -183638.2084 -149369.6115 297.8555 73.1168 106.5117 557101.3771 1.0047 0.9989 PRESSURE: 2339400 -110.5 23.571 -50.9256 23.5704 -103.499 142.796 -50.9271 142.796 -97.9418 GPRESSURE: 2339400 -81.0662 -33.7643 -63.5053 -12.5136 -90.8642 177.204 -62.0641 40.3683 -47.4841 PRESSAVG: 2339400 -84.307 -32.8721 7.18311 -32.8721 0.113981 -18.2759 7.18314 -18.276 54.6723 GPRESSAVG: 2339400 -83.9759 -32.8722 7.27559 -33.1108 0.612141 -19.1498 7.356 -19.6896 54.0912 TIMING: 2339400 CPU: 6788.1, 0.00291304/step Wall: 6788.1, 0.00291304/step, 2.1529 hours remaining, 206.175781 MB of memory in use. ENERGY: 2339400 743.1234 2056.2793 1950.0565 115.7720 -206067.3960 17707.3628 0.0000 0.0000 34190.0439 -149304.7583 298.5902 -183494.8022 -149200.9772 298.4857 -103.9804 -73.1382 558510.6231 -9.8403 -9.7575 PRESSURE: 2339600 -30.4062 -0.231117 46.8189 -0.231552 -27.5555 52.6306 46.8189 52.6296 84.5851 GPRESSURE: 2339600 -26.5486 13.474 20.7132 34.1046 61.9189 51.1898 78.5098 42.8249 69.2953 PRESSAVG: 2339600 27.8779 44.5344 -35.8267 44.5344 21.885 15.9948 -35.8266 15.9947 -14.679 GPRESSAVG: 2339600 28.667 43.164 -34.9936 44.854 22.5526 17.5808 -36.7106 15.0058 -15.8971 TIMING: 2339600 CPU: 6788.68, 0.00290034/step Wall: 6788.68, 0.00290034/step, 2.14335 hours remaining, 206.175781 MB of memory in use. ENERGY: 2339600 735.5643 2008.6643 1992.0406 113.9725 -206035.5788 17821.8466 0.0000 0.0000 34075.1331 -149288.3575 297.5866 -183363.4906 -149195.7494 298.9510 8.8745 34.8885 557479.9842 11.6946 11.7742 PRESSURE: 2339800 48.4777 -78.4694 -12.0122 -78.4699 -131.717 -139.864 -12.0116 -139.864 224.059 GPRESSURE: 2339800 82.3157 -69.1835 72.3319 -35.9532 -117.297 -96.7274 -61.0868 -152.175 270.195 PRESSAVG: 2339800 -47.3548 -6.18475 -53.1727 -6.18477 18.7633 -0.923504 -53.1727 -0.923684 23.2991 GPRESSAVG: 2339800 -48.6533 -6.10525 -53.8491 -6.66236 17.7076 -1.9446 -51.223 0.279102 25.4563 TIMING: 2339800 CPU: 6789.26, 0.00288903/step Wall: 6789.26, 0.00288903/step, 2.13483 hours remaining, 206.175781 MB of memory in use. ENERGY: 2339800 712.2985 2083.5198 1960.5460 101.0119 -206225.1620 17952.6666 0.0000 0.0000 34111.4849 -149303.6342 297.9041 -183415.1191 -149204.6316 298.5851 46.9400 78.4045 556810.0213 -1.7641 -1.8298 PRESSURE: 2340000 -135.347 29.1251 16.0035 29.1246 -98.3328 36.0883 16.0027 36.0888 32.3151 GPRESSURE: 2340000 -66.2975 33.0312 -56.6816 -4.24453 -115.525 81.2356 -25.4985 15.1243 76.8328 PRESSAVG: 2340000 26.3484 -2.28528 -29.6108 -2.28525 -4.96155 -24.1011 -29.6109 -24.1012 -31.5891 GPRESSAVG: 2340000 26.11 -1.49426 -28.2484 -2.26799 -4.65805 -22.0245 -32.0438 -24.3639 -32.042 TIMING: 2340000 CPU: 6789.84, 0.00289456/step Wall: 6789.84, 0.00289456/step, 2.13876 hours remaining, 206.175781 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: 2340000 741.2241 2064.3675 1972.3279 115.6816 -206186.6215 17820.4287 0.0000 0.0000 34370.3366 -149102.2551 300.1647 -183472.5918 -148998.5573 299.4244 -67.1214 -34.9967 557146.9252 -3.4007 -3.5300 PRESSURE: 2340200 -288.736 -20.726 22.9302 -20.7251 -217.727 -15.3127 22.9295 -15.3136 -180.081 GPRESSURE: 2340200 -259.057 -30.1885 28.3076 -56.0415 -211.69 22.1557 -24.7491 -48.2015 -124.171 PRESSAVG: 2340200 42.4559 -5.62355 -0.476286 -5.62349 15.453 -46.1272 -0.476292 -46.1273 -48.5517 GPRESSAVG: 2340200 42.7699 -6.63842 -0.660184 -5.37943 14.468 -47.4179 0.441292 -46.8296 -47.7215 TIMING: 2340200 CPU: 6790.42, 0.00289783/step Wall: 6790.42, 0.00289783/step, 2.14102 hours remaining, 206.175781 MB of memory in use. ENERGY: 2340200 769.8432 2050.5859 1968.0336 108.5233 -205616.0147 17486.8724 0.0000 0.0000 34120.2033 -149111.9529 297.9802 -183232.1562 -149018.2590 299.6497 -228.8481 -198.3061 558693.4641 3.1191 3.1722 LDB: ============= START OF LOAD BALANCING ============== 6793.88 LDB: ============== END OF LOAD BALANCING =============== 6793.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6793.89 LDB: ============= START OF LOAD BALANCING ============== 6794.17 LDB: Largest compute 4821 load 0.030841 is 26.2% of average load 0.117827 LDB: Average compute 0.001729 is 1.5% of average load 0.117827 LDB: TIME 6794.18 LOAD: AVG 0.117827 MAX 0.17743 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.68 MB LDB: TIME 6794.18 LOAD: AVG 0.117827 MAX 0.17743 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: TIME 6794.18 LOAD: AVG 0.117827 MAX 0.17743 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: ============== END OF LOAD BALANCING =============== 6794.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6794.18 PRESSURE: 2340400 -165.325 -142.157 -80.628 -142.157 45.5967 89.0478 -80.6288 89.0491 -333.22 GPRESSURE: 2340400 -128.406 -70.9989 -105.098 -230.487 129.744 135.102 16.0828 110.447 -364.521 PRESSAVG: 2340400 -0.525975 -20.1578 -38.5129 -20.1578 29.9234 -49.8448 -38.513 -49.8449 -24.3355 GPRESSAVG: 2340400 -0.500179 -19.2483 -38.5972 -19.6129 31.914 -48.7987 -38.058 -51.5689 -26.5172 TIMING: 2340400 CPU: 6791.01, 0.00293545/step Wall: 6791.01, 0.00293545/step, 2.16864 hours remaining, 206.613281 MB of memory in use. ENERGY: 2340400 744.5780 2036.7690 1948.5681 116.1295 -205755.2535 17560.4895 0.0000 0.0000 34246.5853 -149102.1342 299.0839 -183348.7195 -149001.7468 300.0512 -150.9827 -121.0612 558917.1640 1.6873 1.6322 PRESSURE: 2340600 -56.3221 -160.229 -42.6595 -160.229 -132.841 -156.817 -42.6602 -156.818 -61.956 GPRESSURE: 2340600 44.2516 -85.502 -0.152218 -104.6 -83.7312 -142.982 -110.83 -175.186 -117.36 PRESSAVG: 2340600 68.4091 -29.4062 0.504078 -29.4062 32.5084 1.92873 0.504107 1.92879 -109.044 GPRESSAVG: 2340600 67.9351 -29.5687 -1.72841 -28.9938 31.6916 0.295381 0.815278 4.20318 -108.089 TIMING: 2340600 CPU: 6791.59, 0.00289924/step Wall: 6791.59, 0.00289924/step, 2.14174 hours remaining, 206.773438 MB of memory in use. ENERGY: 2340600 735.1066 2090.1144 1936.1026 113.6591 -206024.8831 17816.7291 0.0000 0.0000 34220.0314 -149113.1399 298.8520 -183333.1713 -149021.1022 299.1231 -83.7064 -52.2799 558316.9413 -2.7089 -2.8209 PRESSURE: 2340800 -133.257 24.7939 -159.411 24.7943 -104.918 44.0063 -159.411 44.0074 -169.478 GPRESSURE: 2340800 -30.7254 104.573 -48.5594 -12.3117 -157.732 0.0868922 -222.296 92.6943 -122.65 PRESSAVG: 2340800 63.8662 -45.2623 -44.5651 -45.2623 38.3161 -20.1765 -44.5652 -20.1765 -47.2147 GPRESSAVG: 2340800 64.1379 -45.402 -45.2805 -46.8119 38.0518 -19.1461 -45.2111 -20.1229 -46.8417 TIMING: 2340800 CPU: 6792.17, 0.00290714/step Wall: 6792.17, 0.00290714/step, 2.14741 hours remaining, 206.773438 MB of memory in use. ENERGY: 2340800 733.5944 2027.9793 1985.2583 103.3120 -205792.3926 17602.4431 0.0000 0.0000 34053.9345 -149285.8710 297.4015 -183339.8055 -149192.5080 299.4513 -135.8843 -103.7027 559624.6878 18.3225 18.4493 PRESSURE: 2341000 -34.9904 6.52352 37.4723 6.52321 -2.99187 -2.54311 37.4725 -2.54277 168.562 GPRESSURE: 2341000 -10.2612 -41.4592 62.4391 1.79345 70.33 -39.8857 -22.5921 47.2589 167.117 PRESSAVG: 2341000 7.24946 -32.5535 14.3429 -32.5534 9.10359 9.30122 14.3429 9.30125 -0.987733 GPRESSAVG: 2341000 7.62037 -32.8116 16.6845 -31.0565 8.97301 7.13587 14.28 9.97611 -0.602202 TIMING: 2341000 CPU: 6792.75, 0.00291198/step Wall: 6792.75, 0.00291198/step, 2.15082 hours remaining, 206.773438 MB of memory in use. ENERGY: 2341000 696.1882 2062.1055 1965.5316 107.0292 -206184.7371 17863.3264 0.0000 0.0000 34218.4626 -149272.0935 298.8383 -183490.5561 -149175.6325 298.6423 43.5264 75.7287 558302.9005 5.1218 5.3304 PRESSURE: 2341200 6.82912 -173.186 45.4741 -173.186 -81.786 83.5644 45.4739 83.5633 -90.9245 GPRESSURE: 2341200 108.495 -139.472 -8.9857 -149.693 -75.7228 75.6538 125.782 60.997 -103.967 PRESSAVG: 2341200 -15.8083 -3.88859 -55.1701 -3.88857 30.7638 21.0767 -55.1703 21.0766 7.19383 GPRESSAVG: 2341200 -15.8075 -5.0747 -57.7238 -4.36643 31.4586 22.4131 -53.8858 19.9878 6.95106 TIMING: 2341200 CPU: 6793.33, 0.00287798/step Wall: 6793.33, 0.00287798/step, 2.12555 hours remaining, 206.773438 MB of memory in use. ENERGY: 2341200 715.6322 2071.1811 1962.0108 129.3764 -206113.5204 17756.2348 0.0000 0.0000 34119.1831 -149359.9020 297.9713 -183479.0851 -149257.7160 299.2533 -55.2938 -23.7317 558046.6757 7.3831 7.5341 PRESSURE: 2341400 -387.937 -137.955 59.5773 -137.957 -24.9082 61.7127 59.5767 61.7125 -90.9052 GPRESSURE: 2341400 -322.317 -208.011 171.857 -33.7665 -34.4395 45.2553 77.0439 91.4987 -52.7082 PRESSAVG: 2341400 31.2103 -5.26474 24.7582 -5.26472 -9.27321 46.353 24.7582 46.3529 -43.5645 GPRESSAVG: 2341400 30.6876 -5.71774 27.4947 -3.89562 -9.06575 46.6804 23.4282 45.5176 -43.8038 TIMING: 2341400 CPU: 6793.91, 0.00291303/step Wall: 6793.91, 0.00291303/step, 2.15127 hours remaining, 206.773438 MB of memory in use. ENERGY: 2341400 735.7546 2080.2640 1950.9399 102.5895 -205949.3796 17500.2581 0.0000 0.0000 34148.8688 -149430.7047 298.2306 -183579.5735 -149324.9792 298.8811 -167.9168 -136.4884 556936.6411 -7.2091 -7.3940 PRESSURE: 2341600 -138.475 -146.689 -28.2593 -146.69 113.354 57.8338 -28.2582 57.8334 -25.1914 GPRESSURE: 2341600 -108.641 -121.093 5.11933 -130.599 176.218 99.5806 18.0451 61.7082 -16.7276 PRESSAVG: 2341600 -3.33877 10.8191 -19.9371 10.8191 34.8324 65.5976 -19.937 65.5977 -11.5197 GPRESSAVG: 2341600 -2.10755 13.3236 -19.6889 8.56658 35.1128 64.9491 -19.4164 65.9314 -12.9274 TIMING: 2341600 CPU: 6794.49, 0.00291226/step Wall: 6794.49, 0.00291226/step, 2.15054 hours remaining, 206.773438 MB of memory in use. ENERGY: 2341600 781.6813 2077.5275 1984.0887 112.5166 -206129.7077 17783.2470 0.0000 0.0000 34167.8715 -149222.7751 298.3965 -183390.6466 -149128.8045 299.4655 -16.7706 16.9501 556999.4133 6.6580 6.6926 PRESSURE: 2341800 -87.3664 81.6554 0.188382 81.6539 -89.8055 -175.108 0.18869 -175.108 -76.2313 GPRESSURE: 2341800 -56.0227 100.013 49.9771 63.3404 -73.6151 -172.224 -17.4273 -123.749 -36.8588 PRESSAVG: 2341800 -3.84311 -47.8771 5.22878 -47.877 -2.71313 -19.8289 5.22877 -19.829 -72.7792 GPRESSAVG: 2341800 -4.56574 -50.8362 3.86698 -45.4529 -3.09047 -20.3778 4.83825 -19.0973 -72.0715 TIMING: 2341800 CPU: 6795.08, 0.00292998/step Wall: 6795.08, 0.00292998/step, 2.16346 hours remaining, 206.773438 MB of memory in use. ENERGY: 2341800 761.8170 2126.4281 1950.1580 99.0284 -206156.1999 17576.2180 0.0000 0.0000 34252.3518 -149390.1985 299.1343 -183642.5503 -149285.3693 298.7101 -84.4677 -55.4989 556611.4905 -26.4451 -26.5759 PRESSURE: 2342000 -36.4361 -98.7927 -94.1202 -98.7929 -1.66534 -106.451 -94.1208 -106.451 -61.3793 GPRESSURE: 2342000 -16.346 -101.412 -43.5949 -85.9805 -49.0969 -101.978 -121.902 -91.64 73.3303 PRESSAVG: 2342000 21.8759 38.4498 -17.6302 38.4498 -9.85646 -8.16083 -17.6302 -8.16072 15.6813 GPRESSAVG: 2342000 20.4245 40.152 -16.4836 37.3878 -10.3799 -5.43542 -16.7792 -10.8008 17.3378 TIMING: 2342000 CPU: 6795.67, 0.00293779/step Wall: 6795.67, 0.00293779/step, 2.16907 hours remaining, 206.773438 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: 2342000 736.3404 2103.2322 2002.3974 105.9369 -206497.2034 17887.7599 0.0000 0.0000 34257.0992 -149404.4373 299.1758 -183661.5365 -149304.3198 299.0034 -33.1602 2.6291 556787.9957 9.2336 9.1275 PRESSURE: 2342200 -19.7422 11.721 160.859 11.7187 -372.473 -117.153 160.858 -117.153 -33.7361 GPRESSURE: 2342200 60.7615 117.082 194.799 -36.7894 -359.085 -104.653 122.632 -83.9608 -44.5146 PRESSAVG: 2342200 15.2062 43.7514 -24.9294 43.7513 1.80691 -41.1368 -24.9294 -41.1368 22.5409 GPRESSAVG: 2342200 15.446 45.1556 -27.1072 42.3464 2.79563 -43.4977 -24.3837 -36.7094 20.8127 TIMING: 2342200 CPU: 6796.25, 0.00290682/step Wall: 6796.25, 0.00290682/step, 2.14604 hours remaining, 206.773438 MB of memory in use. ENERGY: 2342200 770.7283 2086.1118 1996.0777 112.9205 -206306.7494 17763.7314 0.0000 0.0000 34286.6138 -149290.5658 299.4335 -183577.1796 -149195.3813 298.3430 -141.9837 -114.2793 557889.1839 13.1847 13.0181 PRESSURE: 2342400 282.953 107.347 139.386 107.349 178.127 -13.5834 139.387 -13.5823 -188.672 GPRESSURE: 2342400 295.704 28.1442 197.416 144.723 183.027 -91.1882 59.4896 40.1423 -106.018 PRESSAVG: 2342400 45.9602 54.9659 -44.0275 54.966 23.2109 -3.86715 -44.0275 -3.86716 -79.286 GPRESSAVG: 2342400 46.447 55.1131 -41.3098 57.2408 22.0629 -3.49344 -46.1725 -6.69905 -78.8948 TIMING: 2342400 CPU: 6796.83, 0.00292252/step Wall: 6796.83, 0.00292252/step, 2.15747 hours remaining, 206.773438 MB of memory in use. ENERGY: 2342400 758.9538 2091.2151 1953.6097 136.6336 -206349.8873 17958.9464 0.0000 0.0000 34271.9779 -149178.5508 299.3057 -183450.5287 -149078.8937 299.1927 90.8028 124.2377 556954.2631 -3.3716 -3.4617 PRESSURE: 2342600 -270.429 -9.73706 86.4903 -9.73689 -34.731 -62.2305 86.4909 -62.2318 -171.87 GPRESSURE: 2342600 -203.293 -90.8983 49.4162 -3.33819 -31.7572 -50.764 126.398 -70.0331 -143.944 PRESSAVG: 2342600 47.4456 42.0661 -16.915 42.0661 25.3693 -11.9529 -16.9151 -11.9528 -60.1263 GPRESSAVG: 2342600 47.3406 40.6446 -16.7328 42.127 25.3258 -11.701 -16.6575 -12.2298 -60.5925 TIMING: 2342600 CPU: 6797.41, 0.00289005/step Wall: 6797.41, 0.00289005/step, 2.13334 hours remaining, 206.773438 MB of memory in use. ENERGY: 2342600 773.7464 2059.4780 1976.2348 122.9833 -205936.3247 17686.0957 0.0000 0.0000 34315.6843 -149002.1021 299.6874 -183317.7864 -148904.8289 299.4807 -159.0100 -126.3314 558037.7457 4.2295 4.0246 PRESSURE: 2342800 39.0893 -40.96 -70.3347 -40.9587 -359.249 0.714882 -70.3357 0.713479 189.654 GPRESSURE: 2342800 25.1637 -46.6812 -40.562 9.56644 -249.287 22.9519 -26.1736 -7.25352 209.549 PRESSAVG: 2342800 46.856 -14.3024 25.9905 -14.3024 1.18161 52.0651 25.9904 52.065 -47.5348 GPRESSAVG: 2342800 45.1104 -15.1373 23.4568 -14.4694 2.67091 52.4 26.2537 53.8042 -46.9035 TIMING: 2342800 CPU: 6797.99, 0.00291889/step Wall: 6797.99, 0.00291889/step, 2.15447 hours remaining, 206.773438 MB of memory in use. ENERGY: 2342800 715.0701 2023.2291 1977.6415 108.9352 -205783.7759 17664.9866 0.0000 0.0000 34283.6581 -149010.2554 299.4077 -183293.9134 -148912.9250 299.7872 -43.5021 -4.8582 556882.7534 0.1676 0.2926 PRESSURE: 2343000 196.24 -25.1625 -44.2394 -25.1624 -96.2777 12.4406 -44.2397 12.4404 -233.026 GPRESSURE: 2343000 200.605 -83.9044 12.3062 27.5372 -63.6267 -9.06856 -60.7374 15.1999 -181.502 PRESSAVG: 2343000 32.217 -30.3579 -13.8604 -30.3579 11.1125 7.25871 -13.8602 7.25868 -16.645 GPRESSAVG: 2343000 32.8893 -30.2788 -11.7721 -30.945 11.1266 6.83271 -12.8585 6.5982 -17.7901 TIMING: 2343000 CPU: 6798.58, 0.00292919/step Wall: 6798.58, 0.00292919/step, 2.16191 hours remaining, 206.773438 MB of memory in use. ENERGY: 2343000 765.6650 2098.2182 1961.3889 113.5764 -206009.3133 17628.8003 0.0000 0.0000 34422.8232 -149018.8413 300.6231 -183441.6644 -148928.1439 300.1781 -44.3545 -14.8413 556537.8226 8.8948 8.7419 PRESSURE: 2343200 198.185 86.1591 78.8477 86.1585 -150.8 235.066 78.8475 235.065 -5.10614 GPRESSURE: 2343200 205.74 92.313 -10.6002 76.2008 -85.8938 54.5612 88.5585 301.659 28.3532 PRESSAVG: 2343200 40.3202 -21.0353 8.38976 -21.0353 -22.9639 60.0794 8.38975 60.0794 34.9635 GPRESSAVG: 2343200 41.1554 -20.8576 8.2032 -21.3846 -24.1671 60.418 6.53661 61.1409 35.1732 TIMING: 2343200 CPU: 6799.16, 0.0029122/step Wall: 6799.16, 0.0029122/step, 2.14921 hours remaining, 206.824219 MB of memory in use. ENERGY: 2343200 756.3063 2106.5191 1991.4608 127.6515 -206340.0092 18106.5524 0.0000 0.0000 34220.4533 -149031.0658 298.8557 -183251.5190 -148928.8399 299.9073 14.0928 49.3998 557603.6166 17.4399 17.3872 PRESSURE: 2343400 -307.55 -41.8004 53.6675 -41.8009 91.5333 58.8559 53.666 58.8553 -232.701 GPRESSURE: 2343400 -270.031 61.6051 99.305 -122.26 64.1747 107.135 9.57866 -34.6772 -144.185 PRESSAVG: 2343400 -51.2289 34.336 35.4516 34.336 -18.3308 56.5257 35.4516 56.5257 44.3704 GPRESSAVG: 2343400 -50.3664 34.3716 35.1918 34.6813 -18.6938 58.0485 37.6015 54.469 43.9251 TIMING: 2343400 CPU: 6799.74, 0.0029015/step Wall: 6799.74, 0.0029015/step, 2.14114 hours remaining, 206.824219 MB of memory in use. ENERGY: 2343400 729.0501 2068.2687 1978.9976 115.2868 -205750.5611 17413.2528 0.0000 0.0000 34458.4200 -148987.2850 300.9340 -183445.7050 -148886.3748 299.3313 -149.5725 -116.6806 557339.6646 -8.3964 -8.3784 PRESSURE: 2343600 -318.593 18.2367 72.7453 18.2381 -41.7996 15.1383 72.7463 15.1388 -87.3232 GPRESSURE: 2343600 -271.422 67.9901 70.2776 54.0903 -23.8151 -58.1254 73.7693 98.5353 -50.2169 PRESSAVG: 2343600 -57.3022 45.1822 -32.3796 45.1822 22.6101 -30.0938 -32.3796 -30.0938 55.2453 GPRESSAVG: 2343600 -56.8166 45.8841 -30.9785 46.5501 22.4012 -33.4323 -34.7441 -29.6952 55.0972 TIMING: 2343600 CPU: 6800.32, 0.00291138/step Wall: 6800.32, 0.00291138/step, 2.14827 hours remaining, 206.824219 MB of memory in use. ENERGY: 2343600 761.9481 2067.9945 1974.7055 115.5835 -205822.6776 17478.3269 0.0000 0.0000 34327.3101 -149096.8091 299.7889 -183424.1192 -148996.8715 299.6128 -149.2387 -115.1514 557576.1756 6.8511 6.8940 PRESSURE: 2343800 -208.356 123.882 43.2528 123.883 82.9912 169.847 43.2533 169.847 6.52049 GPRESSURE: 2343800 -127.61 0.301477 -80.5465 90.9538 116.811 175.754 114.4 147.328 -10.1375 PRESSAVG: 2343800 -35.3441 -9.92436 -12.7351 -9.92442 19.3282 9.91578 -12.7352 9.91569 34.7902 GPRESSAVG: 2343800 -36.3929 -11.161 -15.091 -10.6181 21.0338 8.35906 -11.2026 10.9529 34.3424 TIMING: 2343800 CPU: 6800.91, 0.00291605/step Wall: 6800.91, 0.00291605/step, 2.15156 hours remaining, 206.824219 MB of memory in use. ENERGY: 2343800 731.5730 2029.8359 2000.7798 103.3931 -206149.2147 17715.4666 0.0000 0.0000 34197.9648 -149370.2016 298.6593 -183568.1664 -149271.9496 299.2361 -39.6148 -6.9788 557719.0794 6.2581 6.3278 PRESSURE: 2344000 83.2831 -4.5931 -51.9653 -4.59218 67.7951 -100.984 -51.9674 -100.985 -176.129 GPRESSURE: 2344000 154.852 5.06125 -83.5362 -3.36266 99.2653 -106.409 -68.859 -168.586 -166.536 PRESSAVG: 2344000 36.7696 -21.4394 25.5963 -21.4394 25.2244 -4.34191 25.5964 -4.34199 -78.3312 GPRESSAVG: 2344000 37.8788 -20.8739 28.2269 -20.7094 23.8821 -3.46581 23.5319 -4.81955 -77.5732 TIMING: 2344000 CPU: 6801.49, 0.00290356/step Wall: 6801.49, 0.00290356/step, 2.14218 hours remaining, 206.824219 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: 2344000 728.9459 2066.2850 1993.7425 120.3812 -206445.1916 17922.1764 0.0000 0.0000 34171.6820 -149441.9786 298.4298 -183613.6605 -149343.2257 298.2424 -8.3502 29.1939 557301.1478 -5.4457 -5.2708 PRESSURE: 2344200 -40.3728 41.3413 2.0445 41.3392 84.7319 45.6992 2.04426 45.699 62.15 GPRESSURE: 2344200 19.3288 19.448 36.4533 2.16888 35.4214 60.3665 -25.6521 -4.24424 147.95 PRESSAVG: 2344200 43.6645 4.39517 14.3278 4.39517 -17.5475 -22.6743 14.3279 -22.6744 -33.3738 GPRESSAVG: 2344200 43.1566 4.46498 15.825 5.08966 -16.8509 -21.0343 15.7749 -20.3969 -33.3671 TIMING: 2344200 CPU: 6802.07, 0.00291876/step Wall: 6802.07, 0.00291876/step, 2.15324 hours remaining, 206.824219 MB of memory in use. ENERGY: 2344200 691.1648 2107.5906 1956.7483 104.9851 -206359.2041 17918.2174 0.0000 0.0000 34214.2954 -149366.2025 298.8020 -183580.4979 -149272.3868 299.0224 35.5030 67.5667 557622.6122 -2.4189 -2.3538 LDB: ============= START OF LOAD BALANCING ============== 6805.54 LDB: ============== END OF LOAD BALANCING =============== 6805.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6805.55 LDB: ============= START OF LOAD BALANCING ============== 6805.84 LDB: Largest compute 4821 load 0.031732 is 27.0% of average load 0.117724 LDB: Average compute 0.001726 is 1.5% of average load 0.117724 LDB: TIME 6805.84 LOAD: AVG 0.117724 MAX 0.17878 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.523 MB LDB: TIME 6805.84 LOAD: AVG 0.117724 MAX 0.17878 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.531 MB LDB: TIME 6805.84 LOAD: AVG 0.117724 MAX 0.17878 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.531 MB LDB: ============== END OF LOAD BALANCING =============== 6805.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6805.85 PRESSURE: 2344400 49.7114 -77.1484 -81.2606 -77.1482 159.133 -43.4077 -81.26 -43.4066 43.0928 GPRESSURE: 2344400 89.3205 -61.6732 -74.4088 -32.2126 149.444 -99.0311 -95.473 52.7801 106.739 PRESSAVG: 2344400 47.7381 18.3342 10.2178 18.3343 -10.4281 -25.1146 10.2178 -25.1146 -47.0539 GPRESSAVG: 2344400 47.4718 16.7933 7.82036 16.7154 -10.8838 -26.4854 10.6498 -26.8373 -46.4854 TIMING: 2344400 CPU: 6802.67, 0.00300094/step Wall: 6802.67, 0.00300094/step, 2.21369 hours remaining, 207.156250 MB of memory in use. ENERGY: 2344400 706.0675 2115.9580 1945.7155 113.4877 -206332.9209 17900.0075 0.0000 0.0000 34229.1207 -149322.5640 298.9314 -183551.6847 -149226.1297 299.1825 83.9789 115.1678 557156.9143 -3.2480 -3.2991 PRESSURE: 2344600 240.949 61.177 -33.6258 61.1794 208.95 96.1624 -33.6261 96.1613 258.95 GPRESSURE: 2344600 259.347 52.5831 -5.61176 39.119 255.389 8.44894 -34.2016 36.3274 295.58 PRESSAVG: 2344600 -17.0997 -1.15239 -53.458 -1.15251 7.41933 -11.6563 -53.458 -11.6563 -40.527 GPRESSAVG: 2344600 -17.6153 -0.895805 -52.2139 -1.46033 8.72879 -10.2413 -54.7112 -12.7021 -41.739 TIMING: 2344600 CPU: 6803.26, 0.00292536/step Wall: 6803.26, 0.00292536/step, 2.15778 hours remaining, 207.617188 MB of memory in use. ENERGY: 2344600 733.7960 2082.3480 1953.5536 110.5842 -206560.1094 18243.2357 0.0000 0.0000 34322.7007 -149113.8913 299.7487 -183436.5919 -149010.4859 299.5020 236.2833 270.1056 557427.7692 -16.7358 -16.8752 PRESSURE: 2344800 267.032 153.169 -40.9185 153.168 319.553 -15.7905 -40.9186 -15.7909 141.524 GPRESSURE: 2344800 229.359 208.632 20.7281 181.497 388.682 -18.6805 -31.1621 25.4039 204.861 PRESSAVG: 2344800 -20.6371 11.5705 -36.9127 11.5705 22.0062 -4.67684 -36.9127 -4.67698 11.5587 GPRESSAVG: 2344800 -19.7289 13.0191 -38.1595 11.5623 21.7956 -7.16271 -34.5937 -2.53816 11.1694 TIMING: 2344800 CPU: 6803.85, 0.00294381/step Wall: 6803.85, 0.00294381/step, 2.17122 hours remaining, 207.617188 MB of memory in use. ENERGY: 2344800 725.6253 2079.9308 1977.3753 111.0508 -206748.8987 18239.5183 0.0000 0.0000 34365.8458 -149249.5525 300.1255 -183615.3982 -149154.1208 299.4277 242.7029 274.3006 556946.9605 4.3093 4.4120 PRESSURE: 2345000 -69.4157 14.4998 -132.716 14.5013 -217.896 97.5736 -132.715 97.5728 -195.63 GPRESSURE: 2345000 -84.0271 21.0598 -188.722 -1.89106 -131.069 67.4253 -69.0006 81.7798 -178.376 PRESSAVG: 2345000 38.3692 -3.67603 -51.9966 -3.67604 -8.21685 0.739669 -51.9966 0.73978 17.6951 GPRESSAVG: 2345000 37.5609 -3.64582 -51.7298 -2.1467 -8.33736 1.30693 -51.8511 -1.29117 18.8524 TIMING: 2345000 CPU: 6804.44, 0.00296304/step Wall: 6804.44, 0.00296304/step, 2.18524 hours remaining, 207.617188 MB of memory in use. ENERGY: 2345000 745.4825 2084.9298 1976.4882 108.3910 -205829.6127 17448.0723 0.0000 0.0000 34266.6010 -149199.6479 299.2587 -183466.2489 -149108.6637 299.3386 -160.9805 -131.1573 557470.4295 15.9492 16.0253 PRESSURE: 2345200 31.7874 -15.2748 -71.9949 -15.2754 -162.394 186.443 -71.9958 186.443 164.466 GPRESSURE: 2345200 12.1357 -52.4192 9.50714 -26.0419 -116.656 110.962 -101.376 189.465 238.921 PRESSAVG: 2345200 9.6148 17.5839 -72.8859 17.584 7.69476 -25.4376 -72.8858 -25.4376 13.4879 GPRESSAVG: 2345200 8.49677 15.0605 -73.2729 16.3317 5.97304 -26.6823 -74.4972 -24.423 16.1495 TIMING: 2345200 CPU: 6805.03, 0.00295685/step Wall: 6805.03, 0.00295684/step, 2.18051 hours remaining, 207.617188 MB of memory in use. ENERGY: 2345200 725.6027 2111.0707 1989.5742 120.9694 -206192.3244 17720.4685 0.0000 0.0000 34162.9567 -149361.6822 298.3536 -183524.6389 -149267.8780 298.8562 11.2864 44.8001 556545.2372 10.2658 10.2064 PRESSURE: 2345400 -205.787 -120.344 -36.4901 -120.344 -289.358 -100.391 -36.4894 -100.391 29.1901 GPRESSURE: 2345400 -153.783 -119.285 12.2967 -86.8487 -263.897 -118.628 -39.4083 -70.1358 55.4225 PRESSAVG: 2345400 21.0837 -35.4205 38.3161 -35.4207 -54.0023 -33.7493 38.3162 -33.7494 40.935 GPRESSAVG: 2345400 22.397 -31.5446 38.1261 -36.6072 -52.9832 -34.0434 38.5583 -33.7348 38.4368 TIMING: 2345400 CPU: 6805.62, 0.00293574/step Wall: 6805.62, 0.00293574/step, 2.16478 hours remaining, 207.617188 MB of memory in use. ENERGY: 2345400 756.0892 2081.3684 1992.2148 118.5141 -206053.9537 17640.6693 0.0000 0.0000 34125.0136 -149340.0843 298.0222 -183465.0979 -149241.1651 298.8787 -155.3183 -120.7524 556776.9603 2.6721 2.6169 PRESSURE: 2345600 -268.135 -117.061 -30.6843 -117.062 60.9919 -47.2404 -30.6834 -47.2419 -162.404 GPRESSURE: 2345600 -209.487 -34.3068 -140.215 -165.315 82.164 -42.3199 96.5524 -53.5987 -141.329 PRESSAVG: 2345600 -15.7586 42.8834 34.0126 42.8833 -4.40951 -58.5094 34.0126 -58.5094 0.417042 GPRESSAVG: 2345600 -15.9318 42.0009 34.1303 42.2127 -4.09948 -57.1245 32.8592 -58.5804 0.95778 TIMING: 2345600 CPU: 6806.2, 0.00293413/step Wall: 6806.2, 0.00293413/step, 2.16343 hours remaining, 207.617188 MB of memory in use. ENERGY: 2345600 733.3545 2073.4658 1979.5287 98.9605 -206017.6128 17774.7855 0.0000 0.0000 34132.5189 -149224.9989 298.0878 -183357.5178 -149129.9460 298.8580 -123.1824 -89.5506 558104.1663 -6.5837 -6.3578 PRESSURE: 2345800 76.2342 9.96369 113.916 9.96459 203.225 26.6058 113.915 26.6063 88.1127 GPRESSURE: 2345800 85.8427 -2.47241 177.778 9.51808 269.772 49.007 130.986 -9.80805 106.403 PRESSAVG: 2345800 -42.8296 1.49036 15.0318 1.49043 9.17233 -45.2715 15.0317 -45.2713 21.8185 GPRESSAVG: 2345800 -42.7396 0.798659 15.9057 2.40212 8.38933 -44.6005 15.4534 -45.7608 22.2662 TIMING: 2345800 CPU: 6806.79, 0.00291878/step Wall: 6806.79, 0.00291878/step, 2.15195 hours remaining, 207.617188 MB of memory in use. ENERGY: 2345800 709.7762 2085.0732 1962.5973 125.5746 -206700.8584 18143.4722 0.0000 0.0000 34356.8444 -149317.5205 300.0469 -183674.3649 -149226.8418 299.5245 122.5241 154.0061 557862.3264 -3.9463 -4.0280 PRESSURE: 2346000 -234.063 22.1698 -89.5773 22.1687 -224.379 23.6346 -89.5779 23.6359 -11.5329 GPRESSURE: 2346000 -180.193 49.6994 -39.0257 35.0075 -241.556 59.6329 -71.9666 26.2741 47.4041 PRESSAVG: 2346000 -9.62474 -8.29489 -30.8986 -8.2949 -7.19923 -2.67982 -30.8986 -2.67971 32.9785 GPRESSAVG: 2346000 -9.68477 -9.52419 -30.313 -6.39317 -7.42833 -2.91033 -30.3656 -3.85695 33.6078 TIMING: 2346000 CPU: 6807.37, 0.00291904/step Wall: 6807.37, 0.00291904/step, 2.15198 hours remaining, 207.687500 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: 2346000 730.9236 2052.9995 1941.4257 117.9468 -205913.1730 17513.0420 0.0000 0.0000 34104.8929 -149451.9425 297.8465 -183556.8354 -149353.0255 298.8684 -156.6581 -124.7815 556245.2666 5.3848 5.4982 PRESSURE: 2346200 14.5942 -219.193 74.0487 -219.193 31.0598 -40.709 74.0491 -40.7075 -88.5225 GPRESSURE: 2346200 108.589 -234.267 22.739 -178.299 96.1133 -99.8024 138.184 -16.9335 -151.323 PRESSAVG: 2346200 7.46396 -32.7655 5.27398 -32.7654 -44.0671 3.51074 5.27391 3.51082 1.16019 GPRESSAVG: 2346200 7.38014 -33.0618 6.44047 -32.5137 -43.9323 3.41061 3.50391 5.76337 1.1824 TIMING: 2346200 CPU: 6807.96, 0.00292456/step Wall: 6807.96, 0.00292456/step, 2.15589 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346200 728.4875 2079.1072 1963.1593 116.2131 -206255.1206 17742.0975 0.0000 0.0000 34202.1253 -149423.9307 298.6957 -183626.0560 -149326.7728 297.8489 -14.2895 17.7933 557650.4474 -11.8143 -11.7899 PRESSURE: 2346400 -49.136 75.5404 -7.55044 75.5417 -70.8382 -51.4325 -7.55025 -51.434 33.2119 GPRESSURE: 2346400 -29.0167 42.2427 37.5589 126.274 -7.14297 46.5641 -33.2403 -85.7634 46.4592 PRESSAVG: 2346400 -17.7679 -55.5746 -12.2031 -55.5745 -19.752 -39.9673 -12.2032 -39.9673 11.7506 GPRESSAVG: 2346400 -17.3677 -54.0742 -13.5871 -56.5563 -19.1169 -39.1809 -11.2164 -40.4387 11.1118 TIMING: 2346400 CPU: 6808.54, 0.00290499/step Wall: 6808.54, 0.00290499/step, 2.1413 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346400 756.4850 2097.9021 1966.1750 115.4582 -206304.8620 17940.7548 0.0000 0.0000 34201.5154 -149226.5716 298.6903 -183428.0870 -149131.4575 298.5643 -28.9208 3.4332 559120.2872 -8.5898 -8.4576 PRESSURE: 2346600 -41.6783 -40.3994 -148.868 -40.4009 -34.5335 108.388 -148.868 108.385 -46.7981 GPRESSURE: 2346600 -19.3458 10.8826 -138.509 -94.7747 -9.57037 113.283 -136.729 115.451 13.7279 PRESSAVG: 2346600 46.4818 18.6485 -41.9329 18.6486 -29.6097 28.2388 -41.9328 28.2388 -19.1816 GPRESSAVG: 2346600 46.6607 18.3775 -43.8656 18.5443 -29.3493 28.5411 -41.8126 27.2439 -19.889 TIMING: 2346600 CPU: 6809.12, 0.00292952/step Wall: 6809.12, 0.00292952/step, 2.15922 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346600 744.0453 2085.2342 1971.3727 105.5522 -206356.9461 17807.5926 0.0000 0.0000 34356.1804 -149286.9687 300.0411 -183643.1491 -149190.7476 299.2534 -41.0033 -5.0628 558739.7479 -0.7698 -0.8592 PRESSURE: 2346800 4.13409 -44.4525 -97.0317 -44.452 85.5366 42.4708 -97.032 42.4706 -6.69503 GPRESSURE: 2346800 85.6923 3.92607 -127.787 -97.32 134.335 74.5141 -23.5449 -1.84795 -28.1293 PRESSAVG: 2346800 -16.4734 33.2144 -34.0932 33.2145 13.0137 49.6902 -34.0931 49.6901 18.0228 GPRESSAVG: 2346800 -16.9362 31.4292 -32.2211 34.6118 12.9454 49.8821 -33.4377 50.7149 18.2242 TIMING: 2346800 CPU: 6809.71, 0.00293424/step Wall: 6809.71, 0.00293424/step, 2.16254 hours remaining, 207.687500 MB of memory in use. ENERGY: 2346800 739.1871 2073.4815 1957.6535 125.9257 -206255.0966 17847.6107 0.0000 0.0000 34326.4540 -149184.7841 299.7815 -183511.2381 -149084.2999 299.8618 27.6586 63.9659 556913.4571 4.8544 4.7445 PRESSURE: 2347000 -172.218 -62.0795 -35.1804 -62.0789 -8.99808 65.9501 -35.1796 65.9513 92.9667 GPRESSURE: 2347000 -100.212 -97.9942 -19.4805 -2.66847 17.4263 66.2617 -52.0593 114.41 84.454 PRESSAVG: 2347000 -61.4624 -43.5183 -78.6071 -43.5181 26.1152 -52.924 -78.6071 -52.9239 24.919 GPRESSAVG: 2347000 -60.5809 -41.8583 -78.8812 -44.7026 25.4305 -53.9852 -81.4431 -52.5882 24.3717 TIMING: 2347000 CPU: 6810.29, 0.00290872/step Wall: 6810.29, 0.00290872/step, 2.14357 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347000 779.9337 2071.3473 1913.0471 114.8619 -206299.1127 17921.3404 0.0000 0.0000 34356.5345 -149142.0478 300.0442 -183498.5824 -149048.2650 299.2701 -29.4166 0.5560 558062.6938 -3.4761 -3.5929 PRESSURE: 2347200 343.313 22.591 -64.3973 22.5918 -141.626 46.8498 -64.3968 46.8507 19.4743 GPRESSURE: 2347200 334.885 9.95835 -25.104 37.0971 -100.538 132.041 -133.274 56.3357 76.3595 PRESSAVG: 2347200 -23.2904 3.1269 -18.7431 3.12685 -30.3262 57.4195 -18.7431 57.4195 65.3121 GPRESSAVG: 2347200 -24.1282 2.79012 -18.5262 5.09752 -30.3124 56.8987 -18.7572 56.5937 66.3275 TIMING: 2347200 CPU: 6810.88, 0.00292879/step Wall: 6810.88, 0.00292879/step, 2.15819 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347200 732.3697 2068.6266 1978.2948 108.0089 -206097.3876 17753.9317 0.0000 0.0000 34453.3379 -149002.8180 300.8896 -183456.1559 -148908.0271 299.5515 73.7204 103.5690 557302.4695 3.8985 3.9623 PRESSURE: 2347400 -182.668 -63.0277 36.224 -63.0274 73.1572 77.1435 36.2242 77.143 10.225 GPRESSURE: 2347400 -162.275 34.674 78.2052 -82.4596 136.356 53.2082 -2.70143 163.301 13.6842 PRESSAVG: 2347400 -108.878 -25.469 -10.3979 -25.4689 35.0904 -15.8913 -10.398 -15.8913 68.4802 GPRESSAVG: 2347400 -108.5 -24.5461 -10.89 -26.5907 34.776 -14.2644 -6.1855 -15.1152 67.9243 TIMING: 2347400 CPU: 6811.46, 0.00292156/step Wall: 6811.46, 0.00292156/step, 2.1527 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347400 739.5554 2115.5477 1995.1781 116.4746 -205883.6106 17543.0462 0.0000 0.0000 34446.9143 -148926.8943 300.8335 -183373.8086 -148833.1810 300.2506 -33.0952 -4.0781 556813.9592 -1.7690 -1.9332 PRESSURE: 2347600 -42.0127 -263.524 -193.958 -263.525 105.688 -217.151 -193.959 -217.15 280.068 GPRESSURE: 2347600 -46.603 -232.048 -179.83 -187.071 154.421 -181.925 -206.743 -240.092 330.959 PRESSAVG: 2347600 -37.9333 -44.3859 -78.9928 -44.3859 -8.61457 -17.1667 -78.9928 -17.1667 61.8163 GPRESSAVG: 2347600 -37.6374 -43.8733 -78.8174 -44.0794 -8.31654 -18.3505 -80.0739 -17.8229 61.9646 TIMING: 2347600 CPU: 6812.05, 0.00293843/step Wall: 6812.05, 0.00293843/step, 2.16497 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347600 753.4264 2130.9030 1998.5362 110.6975 -205870.8250 17757.4540 0.0000 0.0000 34330.5174 -148789.2905 299.8169 -183119.8079 -148694.2330 299.9697 114.5811 146.2589 557388.8883 5.0895 5.3369 PRESSURE: 2347800 144.013 -89.3425 -84.2068 -89.343 19.5506 -27.9568 -84.2075 -27.9564 83.3323 GPRESSURE: 2347800 206.785 -134.167 -113.324 -89.8978 35.3355 -86.9356 -41.7129 12.3609 87.8063 PRESSAVG: 2347800 -19.7442 -12.2798 -39.9307 -12.2797 -15.9444 -5.03602 -39.9307 -5.03598 45.6095 GPRESSAVG: 2347800 -20.3936 -12.1553 -39.5803 -13.2858 -15.3945 -3.84523 -41.4824 -5.29758 45.537 TIMING: 2347800 CPU: 6812.63, 0.00290893/step Wall: 6812.63, 0.00290893/step, 2.14308 hours remaining, 207.687500 MB of memory in use. ENERGY: 2347800 762.6258 2146.7523 1967.1927 114.2668 -206022.1628 17881.9773 0.0000 0.0000 34408.3252 -148741.0228 300.4965 -183149.3480 -148649.4536 300.4970 82.2986 109.9755 557987.1152 3.3070 3.2496 PRESSURE: 2348000 4.654 -166.469 -93.1595 -166.47 -78.5349 -84.5509 -93.1611 -84.5537 -235.594 GPRESSURE: 2348000 76.875 -204.172 -26.114 -223.096 -118.623 -91.0667 -66.9372 -113.762 -159.054 PRESSAVG: 2348000 26.0832 -20.5425 4.45494 -20.5424 44.5648 -18.3051 4.455 -18.3052 -26.6303 GPRESSAVG: 2348000 26.905 -20.7441 4.46544 -20.5578 43.9304 -18.0161 6.34695 -19.7379 -26.3622 TIMING: 2348000 CPU: 6813.22, 0.00292582/step Wall: 6813.22, 0.00292582/step, 2.15535 hours remaining, 207.687500 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: 2348000 758.6472 2152.7752 1958.8639 113.8251 -205643.1412 17622.1853 0.0000 0.0000 34363.0163 -148673.8282 300.1008 -183036.8445 -148577.3109 301.0522 -103.1584 -66.9339 559394.2760 14.6726 14.8244 PRESSURE: 2348200 -131.702 13.7185 -44.8338 13.7176 -271.22 -14.957 -44.8328 -14.9577 -62.3761 GPRESSURE: 2348200 -63.6106 44.0875 -64.9704 -4.06688 -267.928 -3.67203 -135.781 -70.3343 -48.108 PRESSAVG: 2348200 47.0425 -28.579 25.9583 -28.5791 -47.3227 18.1686 25.9583 18.1686 -19.8835 GPRESSAVG: 2348200 47.1132 -29.3436 25.7897 -27.9566 -47.9335 16.6943 22.7508 20.7635 -19.8256 TIMING: 2348200 CPU: 6813.8, 0.00289565/step Wall: 6813.8, 0.00289565/step, 2.13297 hours remaining, 207.687500 MB of memory in use. ENERGY: 2348200 794.4997 2092.1674 1979.0748 104.6391 -205826.6394 17605.0073 0.0000 0.0000 34519.2193 -148732.0318 301.4649 -183251.2511 -148634.4726 301.2721 -155.0994 -126.5489 558358.6708 -6.7212 -6.8819 LDB: ============= START OF LOAD BALANCING ============== 6817.26 LDB: ============== END OF LOAD BALANCING =============== 6817.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.26 LDB: ============= START OF LOAD BALANCING ============== 6817.56 LDB: Largest compute 4821 load 0.030741 is 26.1% of average load 0.117705 LDB: Average compute 0.001730 is 1.5% of average load 0.117705 LDB: TIME 6817.56 LOAD: AVG 0.117705 MAX 0.180917 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 6817.56 LOAD: AVG 0.117705 MAX 0.180917 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: TIME 6817.56 LOAD: AVG 0.117705 MAX 0.180917 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: ============== END OF LOAD BALANCING =============== 6817.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.56 PRESSURE: 2348400 -142.827 -124.818 -70.7603 -124.818 -11.437 201.969 -70.7597 201.968 -37.0913 GPRESSURE: 2348400 -69.4118 -54.0446 -102.129 -102.404 12.9664 148.97 -31.9925 143.179 -38.7613 PRESSAVG: 2348400 6.79792 9.67753 -9.23516 9.67756 10.4653 1.09301 -9.23524 1.09311 16.3398 GPRESSAVG: 2348400 7.37502 8.32254 -8.07471 10.8233 11.4913 0.0759036 -7.41043 0.796705 14.9318 TIMING: 2348400 CPU: 6814.39, 0.00296752/step Wall: 6814.39, 0.00296752/step, 2.18574 hours remaining, 205.417969 MB of memory in use. ENERGY: 2348400 776.4726 2056.0269 1998.6038 127.6766 -205807.2474 17802.3356 0.0000 0.0000 34193.2248 -148852.9071 298.6179 -183046.1319 -148742.6794 300.7709 -63.7851 -31.7356 557517.6054 11.2010 11.2660 PRESSURE: 2348600 -25.1579 -18.7363 103.643 -18.7356 -48.0869 17.4926 103.642 17.4915 -125.011 GPRESSURE: 2348600 1.19664 -79.0409 150.615 -4.35134 -2.0675 35.7611 77.486 81.0936 -116.706 PRESSAVG: 2348600 61.1831 -48.9333 6.64411 -48.9333 -12.8652 29.8782 6.64411 29.8782 -33.4858 GPRESSAVG: 2348600 59.7882 -47.094 5.86855 -48.9815 -11.8694 31.4946 6.69986 29.8326 -33.0147 TIMING: 2348600 CPU: 6814.97, 0.00291935/step Wall: 6814.97, 0.00291936/step, 2.15011 hours remaining, 205.621094 MB of memory in use. ENERGY: 2348600 752.0282 2099.3124 1983.0113 105.8959 -205796.8083 17526.5196 0.0000 0.0000 34397.6451 -148932.3957 300.4032 -183330.0408 -148833.7943 300.2765 -66.0852 -39.1921 556531.1445 4.9441 4.9680 PRESSURE: 2348800 7.83879 -61.0883 -77.8177 -61.0882 -76.7513 -42.3967 -77.8172 -42.396 -19.5035 GPRESSURE: 2348800 63.0425 -125.3 -58.3267 2.44154 -1.64049 -47.05 -183.309 -12.1878 -45.069 PRESSAVG: 2348800 0.653537 -19.0245 17.0001 -19.0245 29.6073 -42.475 17.0002 -42.475 -23.4091 GPRESSAVG: 2348800 1.93268 -20.7744 16.9608 -18.8568 28.6437 -42.4172 17.5352 -43.679 -23.7371 TIMING: 2348800 CPU: 6815.55, 0.00286616/step Wall: 6815.55, 0.00286616/step, 2.11077 hours remaining, 205.621094 MB of memory in use. ENERGY: 2348800 727.1993 2162.9105 1945.4830 127.3999 -205879.5319 17767.1088 0.0000 0.0000 34243.2995 -148906.1310 299.0553 -183149.4305 -148808.1736 300.7018 -29.4720 5.4444 557719.2576 2.2839 2.2798 PRESSURE: 2349000 157.893 92.3538 -42.9307 92.354 78.3921 48.3354 -42.9311 48.3364 -116.827 GPRESSURE: 2349000 179.292 65.399 -6.88303 123.553 97.7916 15.5042 -128.931 -18.1167 -71.7135 PRESSAVG: 2349000 0.833297 34.0522 -35.3984 34.0521 52.9322 6.52996 -35.3984 6.52994 -94.3571 GPRESSAVG: 2349000 0.606 32.8054 -35.6288 35.0404 54.0266 5.48259 -37.5248 4.94541 -95.0556 TIMING: 2349000 CPU: 6816.12, 0.00289237/step Wall: 6816.12, 0.00289237/step, 2.12991 hours remaining, 205.621094 MB of memory in use. ENERGY: 2349000 727.9314 2144.1793 1965.6458 115.2501 -205550.4490 17506.4689 0.0000 0.0000 34107.0989 -148983.8746 297.8658 -183090.9735 -148891.1159 299.9308 39.8192 68.4567 555960.8768 -13.5305 -13.4743 PRESSURE: 2349200 46.9716 93.9342 80.0616 93.9336 31.6898 16.9842 80.0624 16.9828 197.503 GPRESSURE: 2349200 97.2701 62.3686 82.6237 124.935 57.7356 4.42109 49.3676 112.926 222.079 PRESSAVG: 2349200 47.7973 0.528424 -41.3459 0.528457 18.707 74.5208 -41.346 74.5208 -41.0956 GPRESSAVG: 2349200 49.4029 4.13888 -42.1711 -2.16478 17.705 74.3523 -40.4245 77.7756 -41.4654 TIMING: 2349200 CPU: 6816.71, 0.00293755/step Wall: 6816.71, 0.00293755/step, 2.16302 hours remaining, 205.621094 MB of memory in use. ENERGY: 2349200 695.0979 2090.0764 1961.9167 110.1699 -206131.4951 17731.2082 0.0000 0.0000 34416.7619 -149126.2642 300.5701 -183543.0261 -149027.8988 299.6902 92.0549 125.6948 555066.7699 8.4696 8.5475 PRESSURE: 2349400 9.80091 -113.87 -61.4679 -113.869 71.41 -27.4842 -61.4664 -27.4832 43.4516 GPRESSURE: 2349400 31.6219 -99.5905 -107.514 -33.1365 93.5929 -26.0533 2.33156 -29.5695 97.7175 PRESSAVG: 2349400 53.283 2.61015 -8.02931 2.61007 -42.0588 54.8072 -8.02937 54.8073 -6.07144 GPRESSAVG: 2349400 52.7399 0.712837 -7.95313 5.01907 -42.9039 56.0175 -8.0286 53.4641 -4.673 TIMING: 2349400 CPU: 6817.29, 0.00289116/step Wall: 6817.29, 0.00289116/step, 2.1287 hours remaining, 205.621094 MB of memory in use. ENERGY: 2349400 738.2204 2086.0761 1993.1049 119.8332 -206094.3825 17737.4063 0.0000 0.0000 34283.1995 -149136.5421 299.4037 -183419.7416 -149043.3744 299.8878 41.5542 74.3108 558476.6610 1.7176 1.7210 PRESSURE: 2349600 -345.845 25.9646 -70.0358 25.9638 -38.8783 90.3861 -70.0362 90.3871 -147.277 GPRESSURE: 2349600 -314.426 9.95091 11.5743 58.4801 -6.37025 14.685 -81.2094 198.863 -97.898 PRESSAVG: 2349600 5.59196 -7.00629 -11.0991 -7.00632 44.5796 -17.2541 -11.0992 -17.2542 -80.3664 GPRESSAVG: 2349600 5.58285 -6.26921 -11.3729 -7.89938 45.6513 -16.3357 -7.89291 -18.333 -81.9812 TIMING: 2349600 CPU: 6817.87, 0.00288484/step Wall: 6817.87, 0.00288484/step, 2.12388 hours remaining, 205.621094 MB of memory in use. ENERGY: 2349600 762.3494 2083.8003 1991.1079 104.0832 -206159.1951 17634.1854 0.0000 0.0000 34399.6372 -149184.0317 300.4206 -183583.6689 -149085.2489 300.1107 -177.3334 -139.5649 558292.5267 -10.0649 -10.2490 PRESSURE: 2349800 -197.156 63.6817 195.132 63.6808 191.743 -60.7023 195.133 -60.7018 -119.887 GPRESSURE: 2349800 -223.027 87.2324 197.282 23.7139 187.241 9.86284 183.487 -22.3541 5.98479 PRESSAVG: 2349800 -3.32757 113.659 -0.250242 113.659 -19.476 36.0496 -0.250297 36.0496 8.45376 GPRESSAVG: 2349800 -4.91516 112.781 0.55463 112.041 -20.0286 33.7527 -2.62122 36.1835 10.1088 TIMING: 2349800 CPU: 6818.44, 0.00287948/step Wall: 6818.44, 0.00287948/step, 2.11977 hours remaining, 205.621094 MB of memory in use. ENERGY: 2349800 720.0510 2108.9756 1971.8899 115.4549 -206106.2328 17827.4048 0.0000 0.0000 34175.6163 -149186.8402 298.4642 -183362.4565 -149085.4338 298.8600 -41.7669 -9.9335 558377.4150 -4.7833 -4.9450 PRESSURE: 2350000 -401.611 -9.62928 -8.31264 -9.62932 -181.04 142.924 -8.31202 142.922 -197.969 GPRESSURE: 2350000 -365.364 11.9482 -26.1207 -4.18596 -148.709 133.53 70.3027 69.2425 -175.438 PRESSAVG: 2350000 -38.5615 37.4401 38.7614 37.4401 0.441282 -12.2231 38.7614 -12.2231 56.5352 GPRESSAVG: 2350000 -39.3452 40.4797 39.3305 37.0546 0.736047 -12.2024 39.6901 -9.94555 55.4477 TIMING: 2350000 CPU: 6819.02, 0.00289355/step Wall: 6819.02, 0.00289355/step, 2.12998 hours remaining, 205.621094 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: 2350000 739.1438 2148.9954 1994.3445 123.2637 -205707.0937 17530.6329 0.0000 0.0000 34159.8632 -149010.8501 298.3266 -183170.7133 -148917.8826 299.2438 -260.2069 -229.8370 559612.3949 6.1383 5.6129 PRESSURE: 2350200 -48.9465 83.3052 -110.853 83.3055 -46.738 41.1424 -110.853 41.1429 7.99534 GPRESSURE: 2350200 48.2926 142.267 -23.75 95.4968 -26.7505 -38.7546 -103.158 -23.0191 -12.086 PRESSAVG: 2350200 -45.6915 12.7478 9.79482 12.7477 25.7794 13.3133 9.79486 13.3133 27.4001 GPRESSAVG: 2350200 -45.0787 9.71524 10.1049 13.9821 26.3982 14.1205 7.57154 11.4454 26.061 TIMING: 2350200 CPU: 6819.61, 0.00292544/step Wall: 6819.61, 0.00292544/step, 2.15329 hours remaining, 205.621094 MB of memory in use. ENERGY: 2350200 721.9068 2087.7452 1954.6826 106.7844 -205954.5823 17746.2795 0.0000 0.0000 34319.2255 -149017.9583 299.7183 -183337.1839 -148921.2899 299.4210 -29.2297 3.1521 559274.5732 2.4960 2.4602 PRESSURE: 2350400 -88.8258 106.664 150.145 106.662 -268.512 -83.6371 150.144 -83.6365 -223.799 GPRESSURE: 2350400 -131.599 109.897 11.3372 62.4356 -209.131 -30.0337 108.911 -130.847 -156.203 PRESSAVG: 2350400 53.1745 22.5492 -25.5625 22.5492 -2.16238 -54.8877 -25.5626 -54.8877 -28.4656 GPRESSAVG: 2350400 52.6773 22.2826 -27.7896 21.4716 -2.94284 -55.5178 -23.3112 -54.3681 -27.5912 TIMING: 2350400 CPU: 6820.19, 0.00291414/step Wall: 6820.19, 0.00291414/step, 2.1448 hours remaining, 205.621094 MB of memory in use. ENERGY: 2350400 788.4294 2063.8589 1970.8912 124.4350 -205734.8920 17579.7768 0.0000 0.0000 34264.6323 -148942.8683 299.2416 -183207.5006 -148842.1534 298.9467 -193.7121 -165.6444 558103.9116 7.5155 7.3811 PRESSURE: 2350600 150.61 125.928 -252.93 125.926 -336.263 64.9571 -252.93 64.9577 -33.2362 GPRESSURE: 2350600 123.274 148.568 -217.341 197.077 -256.314 14.7063 -304.729 -27.6927 9.40437 PRESSAVG: 2350600 5.47399 28.1826 -65.4068 28.1825 -29.0463 -7.86272 -65.4069 -7.86277 0.578873 GPRESSAVG: 2350600 6.04627 26.6977 -64.548 29.0258 -28.9623 -6.66723 -66.4389 -8.21734 0.803021 TIMING: 2350600 CPU: 6820.77, 0.00291545/step Wall: 6820.77, 0.00291545/step, 2.14561 hours remaining, 205.621094 MB of memory in use. ENERGY: 2350600 738.3598 2126.2780 1949.3136 112.1621 -205972.8263 17703.6089 0.0000 0.0000 34330.7052 -149012.3987 299.8186 -183343.1040 -148918.2364 299.5933 -72.9630 -41.2121 558716.0272 -7.6645 -7.3710 PRESSURE: 2350800 -232.812 -9.47643 -64.7186 -9.47772 137.573 95.317 -64.7187 95.3175 145.701 GPRESSURE: 2350800 -183.791 -14.4416 -63.5461 -11.9905 177.143 60.7897 -5.53355 59.175 156.72 PRESSAVG: 2350800 -85.5876 -7.00925 -39.3165 -7.00921 -23.8313 -30.7188 -39.3165 -30.7187 75.9033 GPRESSAVG: 2350800 -85.55 -6.02728 -41.6724 -8.89118 -23.6505 -29.8464 -38.6207 -31.2823 75.6688 TIMING: 2350800 CPU: 6821.36, 0.00291776/step Wall: 6821.36, 0.00291776/step, 2.14714 hours remaining, 205.621094 MB of memory in use. ENERGY: 2350800 763.3236 2055.7750 1954.0167 108.2791 -205855.9811 17658.1864 0.0000 0.0000 34429.6924 -148886.7080 300.6831 -183316.4003 -148787.1770 299.8233 16.8206 50.0240 557862.0170 -11.1719 -11.1772 PRESSURE: 2351000 -81.2809 -141.229 -8.1659 -141.23 -24.3446 -206.46 -8.16625 -206.46 270.414 GPRESSURE: 2351000 -42.9423 -145.339 30.2091 -118.936 -34.0253 -179.714 -27.3458 -187.285 348.11 PRESSAVG: 2351000 -47.9564 12.8243 -3.93284 12.8243 -4.62228 -43.2911 -3.93289 -43.2911 56.9523 GPRESSAVG: 2351000 -46.6156 11.9902 -0.895538 14.7316 -5.64003 -44.2133 -5.98995 -41.3659 56.8588 TIMING: 2351000 CPU: 6821.94, 0.00290745/step Wall: 6821.94, 0.00290745/step, 2.1394 hours remaining, 205.621094 MB of memory in use. ENERGY: 2351000 727.3724 2076.2940 1939.2115 118.2419 -206045.3322 17831.8152 0.0000 0.0000 34472.7701 -148879.6271 301.0593 -183352.3972 -148785.3668 300.4293 54.9294 90.3809 557295.3595 1.4579 1.5344 PRESSURE: 2351200 97.1476 -51.9407 61.6058 -51.9396 -90.6869 147.358 61.6061 147.357 10.0087 GPRESSURE: 2351200 106.191 -102.309 -2.73822 -99.6013 -92.2257 236.8 28.6878 109.055 85.7876 PRESSAVG: 2351200 -54.2604 -23.3479 -10.8378 -23.3479 -4.89744 5.84254 -10.8379 5.84254 26.3958 GPRESSAVG: 2351200 -55.3336 -22.7439 -12.6793 -23.546 -4.06655 6.69984 -10.0268 4.18762 26.4219 TIMING: 2351200 CPU: 6822.52, 0.00290532/step Wall: 6822.52, 0.00290532/step, 2.13767 hours remaining, 205.621094 MB of memory in use. ENERGY: 2351200 723.6914 2041.2090 1935.8085 112.9778 -205982.0178 17753.2976 0.0000 0.0000 34592.2639 -148822.7696 302.1028 -183415.0335 -148722.0854 300.1347 5.4898 33.2510 556629.9197 -10.9207 -10.9928 PRESSURE: 2351400 -147.866 88.1187 232.634 88.1187 -215.405 -161.004 232.634 -161.004 -271.926 GPRESSURE: 2351400 -92.5381 107.711 156.978 19.728 -220.352 -254.255 223.825 -138.441 -222.74 PRESSAVG: 2351400 31.786 14.6973 52.6486 14.6971 -19.1476 -35.2936 52.6486 -35.2937 3.78072 GPRESSAVG: 2351400 31.6056 15.3779 52.4203 14.006 -19.3172 -36.9083 53.8038 -33.5762 3.93368 TIMING: 2351400 CPU: 6823.1, 0.00290242/step Wall: 6823.1, 0.00290242/step, 2.13537 hours remaining, 205.621094 MB of memory in use. ENERGY: 2351400 770.3466 2046.8496 1948.1542 114.7480 -205480.7914 17557.9289 0.0000 0.0000 34237.4999 -148805.2643 299.0046 -183042.7643 -148710.2332 300.6401 -211.7322 -178.5433 559415.4823 5.4730 5.4074 PRESSURE: 2351600 280.064 33.6037 47.7651 33.6059 288.7 -9.18178 47.765 -9.18357 -7.44997 GPRESSURE: 2351600 251.59 -20.5136 -2.88577 104.807 354.083 -33.8288 57.9712 73.4042 51.2464 PRESSAVG: 2351600 -11.8407 -18.6159 85.1511 -18.6159 24.8327 -33.5859 85.151 -33.586 -2.0781 GPRESSAVG: 2351600 -11.103 -15.7484 86.0897 -19.2431 24.7527 -32.0729 85.0146 -35.2555 -2.65832 TIMING: 2351600 CPU: 6823.68, 0.00290861/step Wall: 6823.68, 0.00290861/step, 2.13977 hours remaining, 205.621094 MB of memory in use. ENERGY: 2351600 754.6008 2025.9453 1956.4997 115.3780 -206042.3773 18101.3880 0.0000 0.0000 34279.1931 -148809.3725 299.3687 -183088.5655 -148715.3004 299.9203 187.1045 218.9731 559645.7629 3.6380 3.6638 PRESSURE: 2351800 47.1235 -145.796 -49.5193 -145.795 96.5345 -212.987 -49.5203 -212.986 257.036 GPRESSURE: 2351800 151.393 -150.422 -23.3951 12.2766 78.6471 -228.266 -47.2803 -209.206 258.423 PRESSAVG: 2351800 -37.241 19.686 -12.9814 19.686 54.0522 -46.3963 -12.9815 -46.3962 -22.4424 GPRESSAVG: 2351800 -38.1152 15.9909 -13.5867 19.9736 54.4994 -46.5864 -13.3867 -47.3449 -21.7404 TIMING: 2351800 CPU: 6824.27, 0.00293987/step Wall: 6824.27, 0.00293987/step, 2.1626 hours remaining, 205.621094 MB of memory in use. ENERGY: 2351800 713.6479 2109.5230 1977.7419 112.7332 -206262.9437 18089.1732 0.0000 0.0000 34379.9016 -148880.2228 300.2482 -183260.1244 -148788.2623 300.1301 133.5646 162.8210 558295.3288 -1.8771 -1.7854 PRESSURE: 2352000 -110.119 38.0896 -65.8826 38.0902 -133.56 130.596 -65.8837 130.596 -107.938 GPRESSURE: 2352000 -41.0581 -3.49615 42.3458 51.3511 -82.0942 117.675 -98.2619 157.036 -125.159 PRESSAVG: 2352000 -5.94832 42.7486 -12.5062 42.7486 8.25496 -19.8267 -12.5062 -19.8267 8.31872 GPRESSAVG: 2352000 -5.33466 43.1446 -9.0493 45.5682 7.40186 -18.1145 -13.7708 -20.3353 8.11869 TIMING: 2352000 CPU: 6824.86, 0.00293766/step Wall: 6824.86, 0.00293766/step, 2.16081 hours remaining, 205.621094 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: 2352000 791.4709 2051.2716 1998.4826 119.5639 -205873.8321 17662.1047 0.0000 0.0000 34414.7374 -148836.2011 300.5525 -183250.9385 -148737.1672 299.9109 -117.2056 -82.7703 558130.2683 3.5418 3.3953 PRESSURE: 2352200 -133.095 -88.9962 -97.4469 -88.9964 -180.307 -171.143 -97.4468 -171.143 -180.205 GPRESSURE: 2352200 -136.824 -57.4368 -139.974 -44.1417 -177.966 -203.398 -102.457 -173.459 -84.7279 PRESSAVG: 2352200 67.4334 63.2679 -37.0546 63.268 -25.4942 30.1203 -37.0547 30.1202 -22.5301 GPRESSAVG: 2352200 68.0092 63.5493 -39.2681 60.4522 -25.0342 27.9114 -35.4879 32.4494 -23.2441 TIMING: 2352200 CPU: 6825.44, 0.00293145/step Wall: 6825.44, 0.00293145/step, 2.15608 hours remaining, 205.621094 MB of memory in use. ENERGY: 2352200 779.2427 2044.4819 1993.8369 134.9410 -205440.7124 17476.9197 0.0000 0.0000 34239.6510 -148771.6392 299.0234 -183011.2902 -148672.8141 299.8326 -164.5356 -133.1724 558917.1354 6.4697 6.5770 LDB: ============= START OF LOAD BALANCING ============== 6828.91 LDB: ============== END OF LOAD BALANCING =============== 6828.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6828.91 LDB: ============= START OF LOAD BALANCING ============== 6829.2 LDB: Largest compute 4821 load 0.030346 is 25.8% of average load 0.117697 LDB: Average compute 0.001740 is 1.5% of average load 0.117697 LDB: TIME 6829.21 LOAD: AVG 0.117697 MAX 0.177487 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.91 MB LDB: TIME 6829.21 LOAD: AVG 0.117697 MAX 0.177487 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 6829.21 LOAD: AVG 0.117697 MAX 0.177487 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6829.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6829.21 PRESSURE: 2352400 178.716 -11.8495 -74.3784 -11.8479 -114.144 280.352 -74.3789 280.352 125.483 GPRESSURE: 2352400 138.603 -103.761 -119.397 -67.0021 -45.4797 307.846 -24.208 280.454 207.557 PRESSAVG: 2352400 8.75428 -13.7965 -15.7073 -13.7964 -24.0109 46.635 -15.7072 46.6349 -37.485 GPRESSAVG: 2352400 8.37778 -14.4063 -14.8935 -12.4616 -23.8222 47.0198 -18.4595 45.0431 -37.1178 TIMING: 2352400 CPU: 6826.04, 0.00297443/step Wall: 6826.04, 0.00297443/step, 2.18753 hours remaining, 206.644531 MB of memory in use. ENERGY: 2352400 723.9987 2056.4954 1981.4240 112.1280 -205493.5160 17646.3161 0.0000 0.0000 34297.2732 -148675.8805 299.5266 -182973.1537 -148575.9250 299.5905 63.3515 100.2269 558166.1804 -17.5806 -17.5207 PRESSURE: 2352600 -33.9522 88.5921 -18.7242 88.593 -313.229 -158.983 -18.7242 -158.983 -254.706 GPRESSURE: 2352600 -30.2226 156.16 26.9967 149.518 -302.666 -118.559 -1.08219 -183.704 -177.058 PRESSAVG: 2352600 -5.17689 1.41371 39.3496 1.41367 13.7225 2.2034 39.3495 2.20337 15.6109 GPRESSAVG: 2352600 -5.43265 2.74635 38.8128 -0.250281 13.8011 2.648 41.8671 3.48651 15.9786 TIMING: 2352600 CPU: 6826.62, 0.00289722/step Wall: 6826.62, 0.00289722/step, 2.13058 hours remaining, 207.105469 MB of memory in use. ENERGY: 2352600 778.9196 2107.3939 1987.5696 116.9184 -205582.9959 17406.1197 0.0000 0.0000 34391.2224 -148794.8522 300.3471 -183186.0746 -148690.8159 300.4767 -200.6291 -169.9824 558086.8266 8.0522 8.1157 PRESSURE: 2352800 137.928 -18.1164 130.34 -18.118 -177.356 21.7472 130.341 21.7461 -218.679 GPRESSURE: 2352800 136.058 -35.7276 159.21 -88.6283 -69.2325 89.4048 135.245 90.642 -210.007 PRESSAVG: 2352800 25.3817 41.2909 17.1553 41.291 14.3444 0.0977614 17.1554 0.0977632 -63.1711 GPRESSAVG: 2352800 25.6735 40.6607 18.2671 42.9927 14.7757 -1.49878 15.2009 0.0699066 -63.7324 TIMING: 2352800 CPU: 6827.2, 0.00291263/step Wall: 6827.2, 0.00291263/step, 2.14176 hours remaining, 207.105469 MB of memory in use. ENERGY: 2352800 787.7334 2069.7989 1968.5391 113.5498 -205869.4719 17601.4076 0.0000 0.0000 34455.0606 -148873.3825 300.9046 -183328.4431 -148770.2064 299.8630 -86.0356 -47.7272 557046.6984 -7.8150 -7.7611 PRESSURE: 2353000 233.389 80.6747 -75.3545 80.6739 123.474 78.7434 -75.354 78.7422 -153.221 GPRESSURE: 2353000 254.941 30.2636 -69.9112 140.159 157.749 131.491 -53.904 54.7504 -110.297 PRESSAVG: 2353000 -5.46021 -1.40458 42.7913 -1.40456 14.0952 -64.97 42.7913 -64.9699 8.95142 GPRESSAVG: 2353000 -5.92662 -0.853087 42.6946 -2.60025 14.0835 -65.27 42.5164 -64.397 9.25078 TIMING: 2353000 CPU: 6827.78, 0.00291366/step Wall: 6827.78, 0.00291366/step, 2.14235 hours remaining, 207.105469 MB of memory in use. ENERGY: 2353000 725.2490 2100.2530 1967.1493 114.8347 -205802.0052 17605.4545 0.0000 0.0000 34270.4271 -149018.6376 299.2922 -183289.0647 -148913.3502 299.8608 67.8805 100.7974 556549.0976 5.8621 5.8025 PRESSURE: 2353200 134.905 18.2146 97.8144 18.2144 29.3544 21.3323 97.8142 21.3331 131.126 GPRESSURE: 2353200 122.189 46.5537 72.038 60.6349 91.5731 44.3383 84.6792 7.41715 162.754 PRESSAVG: 2353200 61.2676 48.2922 21.3562 48.292 -5.16851 -2.60464 21.356 -2.60469 -48.0381 GPRESSAVG: 2353200 60.9759 48.2008 20.6219 49.4943 -5.66337 -0.464639 22.4888 -2.98655 -47.5483 TIMING: 2353200 CPU: 6828.37, 0.00293058/step Wall: 6828.37, 0.00293058/step, 2.15462 hours remaining, 207.105469 MB of memory in use. ENERGY: 2353200 697.4671 2096.9612 1976.5749 108.4732 -205761.7666 17765.1976 0.0000 0.0000 34271.2130 -148845.8796 299.2990 -183117.0926 -148755.3882 300.2869 98.4617 125.5056 558214.2757 2.6870 2.5881 PRESSURE: 2353400 -219.897 44.287 -60.9408 44.2861 171.151 -122.909 -60.9412 -122.91 -29.9566 GPRESSURE: 2353400 -188.393 103.312 -27.321 -67.8634 169.963 -65.1684 -99.6311 -128.138 29.6441 PRESSAVG: 2353400 -38.3919 29.798 -0.864414 29.7978 1.01318 58.5417 -0.864476 58.5416 -5.56597 GPRESSAVG: 2353400 -36.9124 31.0395 0.030524 27.9313 1.44649 58.5512 -1.22398 56.3918 -7.5042 TIMING: 2353400 CPU: 6828.95, 0.00293084/step Wall: 6828.95, 0.00293084/step, 2.15465 hours remaining, 207.105469 MB of memory in use. ENERGY: 2353400 741.9386 2092.2569 1968.1716 111.9678 -205877.7431 17666.0893 0.0000 0.0000 34331.1994 -148966.1195 299.8229 -183297.3189 -148870.5025 300.2314 -26.2343 3.7381 556944.6679 -14.3149 -14.3234 PRESSURE: 2353600 27.9124 37.0688 -77.2515 37.0675 -188.957 -17.9194 -77.2512 -17.9184 -13.2121 GPRESSURE: 2353600 39.8778 98.1419 -78.6286 21.8869 -145.161 -12.6003 -52.3822 -153.9 25.9621 PRESSAVG: 2353600 -39.6187 17.3932 -15.5883 17.3932 20.337 11.3056 -15.5884 11.3056 -19.7157 GPRESSAVG: 2353600 -40.788 18.0266 -17.4958 17.8355 19.5041 11.6062 -14.1714 11.7532 -18.0198 TIMING: 2353600 CPU: 6829.54, 0.00291021/step Wall: 6829.54, 0.00291021/step, 2.13933 hours remaining, 207.105469 MB of memory in use. ENERGY: 2353600 752.0994 2131.4828 1945.7878 119.8083 -205927.5915 17545.3759 0.0000 0.0000 34496.1047 -148936.9327 301.2631 -183433.0373 -148841.6772 299.5075 -58.0856 -26.4404 557066.0413 -12.9991 -13.1012 PRESSURE: 2353800 192.026 7.261 -65.2357 7.26129 271.623 -29.0206 -65.2379 -29.0227 412.084 GPRESSURE: 2353800 200.32 -1.37345 -24.9063 -44.0681 341.536 18.5254 -44.8826 -113.12 417.88 PRESSAVG: 2353800 43.6089 -6.10908 18.9185 -6.10894 38.8692 -8.52254 18.9184 -8.52263 -51.7002 GPRESSAVG: 2353800 45.4426 -5.95356 19.5571 -7.51031 38.8663 -12.5478 18.2022 -6.31318 -53.6226 TIMING: 2353800 CPU: 6830.12, 0.00292819/step Wall: 6830.12, 0.00292819/step, 2.15238 hours remaining, 207.105469 MB of memory in use. ENERGY: 2353800 733.7792 2093.6279 1944.1316 115.4810 -206289.7741 18045.8956 0.0000 0.0000 34374.2332 -148982.6256 300.1987 -183356.8588 -148887.5740 299.9813 291.9110 319.9122 555710.5905 10.2593 10.2288 PRESSURE: 2354000 -147.738 66.1918 11.0741 66.1922 19.8137 -89.7687 11.0733 -89.7665 -195.388 GPRESSURE: 2354000 -166.102 66.9295 -20.1762 105.93 81.7994 -50.1009 6.54828 -160.635 -135.577 PRESSAVG: 2354000 -11.4653 -7.59023 16.0504 -7.59032 -30.8637 -35.315 16.0504 -35.315 29.895 GPRESSAVG: 2354000 -12.3011 -8.69608 17.0576 -5.46362 -31.3785 -33.1886 15.5993 -36.7327 31.1122 TIMING: 2354000 CPU: 6830.71, 0.00291575/step Wall: 6830.71, 0.00291575/step, 2.14308 hours remaining, 207.105469 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: 2354000 762.3984 2073.8917 1977.5982 121.1717 -205796.5056 17500.2435 0.0000 0.0000 34281.0171 -149080.1849 299.3846 -183361.2020 -148986.7514 299.5959 -107.7708 -73.2930 556540.6627 -4.1447 -4.1891 PRESSURE: 2354200 159.864 -144.873 85.7081 -144.873 -86.1612 -122.623 85.7086 -122.624 -92.2425 GPRESSURE: 2354200 160.216 -211.319 159.427 -101.495 -33.0488 -9.95288 7.78225 -101.76 -38.9837 PRESSAVG: 2354200 17.549 22.4112 0.0990553 22.4111 92.5291 -37.55 0.0990124 -37.5501 -68.2712 GPRESSAVG: 2354200 16.9611 22.7812 -1.0547 22.3427 93.0914 -38.7893 1.46515 -37.0911 -69.0166 TIMING: 2354200 CPU: 6831.29, 0.00292693/step Wall: 6831.29, 0.00292693/step, 2.15113 hours remaining, 207.304688 MB of memory in use. ENERGY: 2354200 741.4185 2065.2592 1956.5403 110.8757 -205942.4509 17754.4966 0.0000 0.0000 34126.0482 -149187.8123 298.0313 -183313.8605 -149089.0514 299.8772 -6.1799 29.3945 558474.2644 13.9356 13.6786 PRESSURE: 2354400 -181.83 45.8168 91.9059 45.8167 -159.328 178.96 91.9055 178.962 -92.0095 GPRESSURE: 2354400 -184.791 125.618 39.9468 -2.90844 -70.3698 164.434 143.648 155.387 -82.7824 PRESSAVG: 2354400 43.8527 40.05 46.6874 40.0501 -40.5048 -11.2357 46.6874 -11.2358 -6.40954 GPRESSAVG: 2354400 44.0402 40.0816 47.5831 39.4206 -40.7329 -11.3042 45.6127 -10.6828 -6.76739 TIMING: 2354400 CPU: 6831.87, 0.00290997/step Wall: 6831.87, 0.00290997/step, 2.1385 hours remaining, 207.507812 MB of memory in use. ENERGY: 2354400 737.9727 2150.3602 1955.6394 117.1690 -206013.8796 17622.6684 0.0000 0.0000 34266.6073 -149163.4627 299.2588 -183430.0700 -149057.8989 299.5740 -144.3890 -112.6479 559026.5380 -1.0206 -1.1534 PRESSURE: 2354600 -83.9663 -129.954 -24.8336 -129.955 91.4204 35.9301 -24.8326 35.9296 -195.666 GPRESSURE: 2354600 -43.0922 -50.662 1.0165 -113.099 132.381 94.7725 -41.7644 2.19482 -175.228 PRESSAVG: 2354600 34.5266 -21.6022 -6.88882 -21.6022 -41.6735 59.4346 -6.88879 59.4346 4.76234 GPRESSAVG: 2354600 32.9829 -23.2016 -7.78723 -20.1355 -40.7456 63.5927 -6.74483 58.3439 5.43028 TIMING: 2354600 CPU: 6832.46, 0.00291229/step Wall: 6832.46, 0.00291229/step, 2.14005 hours remaining, 207.507812 MB of memory in use. ENERGY: 2354600 756.3671 2137.5733 1965.4347 123.2539 -205991.5906 17784.1209 0.0000 0.0000 34126.2840 -149098.5567 298.0333 -183224.8407 -149000.6162 299.6077 -62.7372 -28.6465 558337.9847 -0.7949 -0.7775 PRESSURE: 2354800 109.825 -134.066 159.621 -134.066 24.9501 -10.6108 159.621 -10.6116 14.2389 GPRESSURE: 2354800 173.593 -210.127 184.651 -90.4768 -0.272323 -75.2719 111.111 11.1057 83.5022 PRESSAVG: 2354800 55.3779 0.977352 22.7343 0.977325 -16.6303 45.9303 22.7343 45.9303 -8.15188 GPRESSAVG: 2354800 57.0669 2.67118 20.6054 3.17578 -17.3306 43.1224 22.4333 44.6926 -8.63336 TIMING: 2354800 CPU: 6833.04, 0.00290735/step Wall: 6833.04, 0.00290735/step, 2.13626 hours remaining, 207.507812 MB of memory in use. ENERGY: 2354800 735.7541 2155.6102 1977.8464 124.3807 -206450.8050 17930.5587 0.0000 0.0000 34493.8325 -149032.8224 301.2432 -183526.6549 -148936.7818 299.5299 49.6714 85.6077 556869.7155 10.1986 10.3676 PRESSURE: 2355000 161.565 17.4145 121.679 17.4153 83.9451 -169.768 121.679 -169.768 165.24 GPRESSURE: 2355000 202.344 -50.6368 168.938 95.0908 144.382 -194.78 131.118 -80.9278 158.21 PRESSAVG: 2355000 -2.11253 -47.4981 -33.0825 -47.4981 8.59402 -7.45669 -33.0826 -7.4566 -4.19319 GPRESSAVG: 2355000 -2.5597 -48.6487 -31.999 -48.5609 7.49055 -5.02925 -32.8787 -5.98486 -3.40223 TIMING: 2355000 CPU: 6833.62, 0.00289236/step Wall: 6833.62, 0.00289236/step, 2.12508 hours remaining, 207.507812 MB of memory in use. ENERGY: 2355000 747.4431 2141.8274 1971.1165 128.6022 -206044.9435 17842.6857 0.0000 0.0000 34188.7618 -149024.5068 298.5790 -183213.2686 -148931.3762 299.9433 136.9167 168.3118 558173.5475 0.7628 0.5095 PRESSURE: 2355200 -79.8248 178.785 -164.283 178.783 1.7273 60.8385 -164.283 60.8388 -132.924 GPRESSURE: 2355200 -66.6524 133.998 -133.709 240.136 50.9849 -40.68 -153.53 33.361 -99.1862 PRESSAVG: 2355200 4.45566 -6.14402 64.3399 -6.14405 -45.6534 16.7681 64.34 16.7681 8.76726 GPRESSAVG: 2355200 3.64874 -4.79285 64.4317 -4.81585 -44.3836 14.934 65.6076 16.3954 8.77076 TIMING: 2355200 CPU: 6834.2, 0.00292799/step Wall: 6834.2, 0.00292799/step, 2.1511 hours remaining, 207.507812 MB of memory in use. ENERGY: 2355200 707.5213 2099.4861 1975.4308 113.4360 -206090.5528 17664.2719 0.0000 0.0000 34494.1010 -149036.3058 301.2456 -183530.4068 -148931.2441 300.0941 -70.3404 -38.2846 558621.2366 -10.8102 -10.6547 PRESSURE: 2355400 -209.252 65.0905 -100.557 65.0906 85.4419 -24.3619 -100.557 -24.362 12.1137 GPRESSURE: 2355400 -210.466 30.2048 -130.088 97.7893 173.938 -1.85262 -103.72 -132.254 19.9469 PRESSAVG: 2355400 -6.91684 -5.30218 -6.25296 -5.30209 -57.3894 21.0853 -6.25304 21.0853 11.1004 GPRESSAVG: 2355400 -5.77581 -6.29627 -7.24761 -7.11721 -57.6608 20.2154 -8.29362 20.9293 10.7309 TIMING: 2355400 CPU: 6834.79, 0.00293919/step Wall: 6834.79, 0.00293919/step, 2.15916 hours remaining, 207.507812 MB of memory in use. ENERGY: 2355400 783.4424 2101.3073 1937.5650 121.3676 -206336.5982 18025.4810 0.0000 0.0000 34223.3998 -149144.0351 298.8815 -183367.4349 -149043.1491 299.0272 -37.2321 -5.5270 559533.3569 -17.7353 -17.5686 PRESSURE: 2355600 -251.898 -163.991 9.25389 -163.991 14.1998 78.203 9.25412 78.2032 -14.8962 GPRESSURE: 2355600 -185.557 -85.3495 89.0586 -197.498 -14.1044 -17.4359 57.0318 64.9659 53.4892 PRESSAVG: 2355600 -31.8005 14.5071 -4.31692 14.507 35.528 46.2893 -4.31695 46.2892 14.3987 GPRESSAVG: 2355600 -31.5567 15.4163 -2.95326 14.6059 34.964 48.2353 -2.68814 45.6745 14.6886 TIMING: 2355600 CPU: 6835.37, 0.00290995/step Wall: 6835.37, 0.00290995/step, 2.13752 hours remaining, 207.507812 MB of memory in use. ENERGY: 2355600 738.4668 2118.3254 1988.2532 117.2651 -206156.9383 17772.7230 0.0000 0.0000 34273.3938 -149148.5109 299.3181 -183421.9047 -149051.9251 299.6908 -84.1981 -48.7239 558353.1174 6.0421 6.0320 PRESSURE: 2355800 193.858 66.1599 196.279 66.1586 -40.4202 50.3126 196.281 50.3104 181.81 GPRESSURE: 2355800 290.058 120.297 219.908 69.7663 -82.6104 -5.24826 128.821 52.245 222.35 PRESSAVG: 2355800 17.4684 20.4314 61.8411 20.4315 -30.1798 -3.80476 61.841 -3.80475 -10.8249 GPRESSAVG: 2355800 17.0561 20.0561 60.7796 19.0717 -29.373 -3.98808 62.3657 -2.09509 -10.9509 TIMING: 2355800 CPU: 6835.96, 0.00292786/step Wall: 6835.96, 0.00292786/step, 2.15051 hours remaining, 207.507812 MB of memory in use. ENERGY: 2355800 736.4731 2150.1835 1975.7649 123.1848 -206382.4087 17971.4291 0.0000 0.0000 34214.1439 -149211.2295 298.8006 -183425.3734 -149111.5798 298.9863 111.7494 143.2661 557905.2175 -7.8454 -7.7559 PRESSURE: 2356000 -23.6624 96.836 71.0069 96.8363 -6.68298 227.907 71.0073 227.907 52.0967 GPRESSURE: 2356000 -9.66312 116.056 67.6234 109.516 61.0827 218.108 84.5216 140.357 80.1364 PRESSAVG: 2356000 8.70139 49.6101 38.932 49.6101 -4.33469 -6.81313 38.932 -6.81315 -38.4807 GPRESSAVG: 2356000 8.66944 50.1954 40.0282 50.1301 -3.0581 -7.34937 38.2108 -6.07382 -39.148 TIMING: 2356000 CPU: 6836.54, 0.00292473/step Wall: 6836.54, 0.00292473/step, 2.14805 hours remaining, 207.507812 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: 2356000 730.6489 2104.6542 1965.9527 106.9358 -206328.5903 17948.9203 0.0000 0.0000 34485.3520 -148986.1265 301.1692 -183471.4785 -148883.9620 299.4386 7.2504 43.8520 559420.2848 -11.3713 -11.1789 PRESSURE: 2356200 -154.876 8.94087 -32.0956 8.94057 -68.723 84.9213 -32.0956 84.9211 87.2549 GPRESSURE: 2356200 -134.201 -61.5848 -42.5592 84.7277 10.2502 54.4617 -11.4783 180.481 78.5397 PRESSAVG: 2356200 -14.4485 -22.8198 -2.06954 -22.8197 33.417 -18.1167 -2.06958 -18.1167 5.20398 GPRESSAVG: 2356200 -13.4807 -22.3889 -2.41769 -21.4124 32.4917 -17.044 0.343243 -18.9659 5.68883 TIMING: 2356200 CPU: 6837.12, 0.0029023/step Wall: 6837.12, 0.0029023/step, 2.13142 hours remaining, 207.507812 MB of memory in use. ENERGY: 2356200 730.7785 2127.4917 1984.0275 119.4697 -206034.1968 17793.4061 0.0000 0.0000 34351.4573 -148927.5659 299.9998 -183279.0232 -148832.3266 299.9714 -45.4480 -15.1371 558909.9861 8.0575 8.2333 LDB: ============= START OF LOAD BALANCING ============== 6840.59 LDB: ============== END OF LOAD BALANCING =============== 6840.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6840.59 LDB: ============= START OF LOAD BALANCING ============== 6840.88 LDB: Largest compute 4821 load 0.032133 is 27.3% of average load 0.117646 LDB: Average compute 0.001736 is 1.5% of average load 0.117646 LDB: TIME 6840.88 LOAD: AVG 0.117646 MAX 0.17948 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.453 MB LDB: TIME 6840.88 LOAD: AVG 0.117646 MAX 0.17948 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: TIME 6840.88 LOAD: AVG 0.117646 MAX 0.17948 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6840.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6840.89 PRESSURE: 2356400 206.886 -114.991 25.8729 -114.991 82.8815 82.4912 25.8727 82.4916 52.1948 GPRESSURE: 2356400 197.143 -93.4312 -42.689 -123.245 131.784 105.106 -60.8377 85.1744 125.623 PRESSAVG: 2356400 -26.027 44.5523 -9.7497 44.5523 2.41613 49.1852 -9.74967 49.1852 12.7689 GPRESSAVG: 2356400 -25.5194 44.4265 -9.01926 42.7024 2.36438 47.3831 -13.0695 49.0899 12.5437 TIMING: 2356400 CPU: 6837.71, 0.00296328/step Wall: 6837.71, 0.00296328/step, 2.17604 hours remaining, 206.957031 MB of memory in use. ENERGY: 2356400 723.6022 2112.8017 1971.4937 122.2911 -206302.1581 17925.5706 0.0000 0.0000 34486.2897 -148960.1091 301.1773 -183446.3989 -148866.2512 299.8920 113.9876 151.5167 557354.2579 -3.6140 -3.5371 PRESSURE: 2356600 -150.634 -0.703353 130.553 -0.702513 -149.416 -88.8738 130.551 -88.8739 -167.394 GPRESSURE: 2356600 -127.255 -35.5666 97.9089 -43.4513 -118.66 -6.7065 184.841 -216.488 -135.166 PRESSAVG: 2356600 28.133 19.6225 41.0521 19.6226 43.805 3.45688 41.0522 3.45681 -33.2759 GPRESSAVG: 2356600 26.6987 21.2314 40.5038 19.381 44.0226 4.3815 42.3112 4.4436 -32.1414 TIMING: 2356600 CPU: 6838.3, 0.00290487/step Wall: 6838.3, 0.00290487/step, 2.13298 hours remaining, 207.417969 MB of memory in use. ENERGY: 2356600 739.2040 2177.5379 1960.4596 110.8433 -205705.8014 17551.5997 0.0000 0.0000 34227.9243 -148938.2325 298.9210 -183166.1568 -148840.7210 299.7355 -155.8144 -127.0270 557183.2368 12.8874 12.8600 PRESSURE: 2356800 207.319 69.4207 125.814 69.4219 -146.505 -25.153 125.815 -25.1524 153.467 GPRESSURE: 2356800 260.213 107.67 123.34 -7.00378 -145.712 19.0326 92.1604 29.2635 196.396 PRESSAVG: 2356800 49.6425 -9.37313 3.8025 -9.37316 -26.4855 -13.6984 3.80261 -13.6984 2.64222 GPRESSAVG: 2356800 50.9998 -10.4457 3.02782 -10.2302 -26.765 -15.6876 2.8198 -16.2857 1.31712 TIMING: 2356800 CPU: 6838.88, 0.00289917/step Wall: 6838.88, 0.00289917/step, 2.12863 hours remaining, 207.417969 MB of memory in use. ENERGY: 2356800 793.5989 2065.7816 1963.1523 127.5681 -206491.0534 18080.5509 0.0000 0.0000 34457.9719 -149002.4297 300.9300 -183460.4017 -148907.7180 300.5770 71.4268 103.6323 556005.4109 8.5997 8.5173 PRESSURE: 2357000 -91.092 2.44464 -99.4875 2.444 -94.3776 -20.8252 -99.4875 -20.8243 -6.94078 GPRESSURE: 2357000 -79.8422 3.9033 -103.735 69.7278 -91.5778 4.51528 -150.078 -82.0593 69.6005 PRESSAVG: 2357000 35.8374 -4.76603 -1.12143 -4.76604 -47.9362 -18.9878 -1.1215 -18.9879 -11.6789 GPRESSAVG: 2357000 35.6642 -5.56599 -0.0313445 -2.63858 -48.4365 -17.8994 -0.504183 -17.5198 -10.8072 TIMING: 2357000 CPU: 6839.45, 0.00289619/step Wall: 6839.45, 0.00289619/step, 2.12629 hours remaining, 207.527344 MB of memory in use. ENERGY: 2357000 756.2042 2072.1949 1974.6109 100.6377 -206092.0868 17828.0657 0.0000 0.0000 34281.1344 -149079.2390 299.3857 -183360.3734 -148980.4159 300.0378 -64.1368 -33.9398 557988.8854 -7.9259 -7.8599 PRESSURE: 2357200 7.35376 -58.504 116.936 -58.5045 -143.296 -26.7226 116.936 -26.7229 -365.481 GPRESSURE: 2357200 54.5408 -13.4038 70.5906 -126.75 -87.4824 -41.4373 182.183 -36.6053 -370.054 PRESSAVG: 2357200 14.191 14.1487 24.2648 14.1487 -2.57179 -39.6947 24.2649 -39.6948 -1.41152 GPRESSAVG: 2357200 13.2747 15.3917 23.9174 12.435 -1.24331 -37.664 25.684 -41.4265 -1.93168 TIMING: 2357200 CPU: 6840.04, 0.00292109/step Wall: 6840.04, 0.00292109/step, 2.14441 hours remaining, 207.527344 MB of memory in use. ENERGY: 2357200 768.5103 2055.3891 1937.3111 119.8052 -206204.5591 17808.0812 0.0000 0.0000 34203.0049 -149312.4572 298.7033 -183515.4621 -149213.1611 299.7861 -167.1413 -134.3318 558508.6349 3.4026 3.3666 PRESSURE: 2357400 134.669 -62.0524 39.3404 -62.051 229.336 -152.364 39.3407 -152.363 252.335 GPRESSURE: 2357400 155.343 34.0997 103.031 -3.23569 243.329 -152.709 78.033 -151.196 320.105 PRESSAVG: 2357400 -30.2914 -27.0452 40.9252 -27.0452 70.793 -74.9205 40.9252 -74.9205 -31.569 GPRESSAVG: 2357400 -30.2832 -28.499 41.4926 -25.3626 70.0074 -76.6256 38.7922 -72.829 -30.907 TIMING: 2357400 CPU: 6840.63, 0.00293257/step Wall: 6840.63, 0.00293257/step, 2.15267 hours remaining, 207.527344 MB of memory in use. ENERGY: 2357400 720.7585 2090.3964 1978.9713 116.4153 -206921.1422 18370.4217 0.0000 0.0000 34341.7959 -149302.3831 299.9154 -183644.1790 -149213.7877 299.2475 205.4466 239.5924 558543.5041 2.9775 2.9391 PRESSURE: 2357600 -282.01 -61.5011 39.5762 -61.5013 6.2187 -79.7078 39.5756 -79.7074 -9.15703 GPRESSURE: 2357600 -236.244 -70.5439 -93.0858 -70.5791 0.279919 -78.2646 114.929 -21.4243 45.7134 PRESSAVG: 2357600 8.82324 -0.491515 27.0132 -0.491502 -4.25988 -28.2753 27.0132 -28.2755 40.9627 GPRESSAVG: 2357600 8.71716 -1.49502 26.5446 -1.16175 -3.66116 -27.8961 28 -28.116 39.7872 TIMING: 2357600 CPU: 6841.21, 0.00292722/step Wall: 6841.21, 0.00292722/step, 2.14858 hours remaining, 207.527344 MB of memory in use. ENERGY: 2357600 755.1869 2067.0213 1987.4446 122.5891 -206078.5509 17700.4654 0.0000 0.0000 34295.9626 -149149.8810 299.5152 -183445.8437 -149056.1653 299.5700 -94.9826 -63.4170 557852.6646 15.1754 14.9477 PRESSURE: 2357800 -150.901 177.03 -0.236416 177.03 64.1791 14.9703 -0.235532 14.9703 70.7381 GPRESSURE: 2357800 -103.263 168.395 -2.73354 143.297 95.2987 27.9264 49.5258 -9.64201 84.6732 PRESSAVG: 2357800 -13.1522 -10.2164 17.1236 -10.2164 -17.3574 7.00723 17.1236 7.00724 -2.67426 GPRESSAVG: 2357800 -12.1206 -11.1913 16.3202 -11.6819 -17.2514 6.96977 17.6197 5.27582 -4.0835 TIMING: 2357800 CPU: 6841.79, 0.00289903/step Wall: 6841.79, 0.00289903/step, 2.12773 hours remaining, 207.527344 MB of memory in use. ENERGY: 2357800 741.8591 2142.5714 1977.2185 107.8033 -206216.3690 17829.1342 0.0000 0.0000 34414.7783 -149003.0043 300.5528 -183417.7826 -148916.6808 299.4172 -5.3281 25.5698 558768.8931 -11.0613 -11.1518 PRESSURE: 2358000 -83.4781 -6.75886 33.0376 -6.75823 -61.6493 -60.3079 33.0375 -60.3087 -46.6973 GPRESSURE: 2358000 45.8889 -15.6012 -28.3432 45.1513 -29.1072 -167.223 -59.7678 -118.232 -113.849 PRESSAVG: 2358000 -31.8908 -1.66651 -16.2679 -1.66648 -33.6098 -12.9417 -16.2679 -12.9417 56.3477 GPRESSAVG: 2358000 -30.9803 -0.506673 -15.1265 -0.299743 -34.8577 -14.6517 -19.7108 -11.8154 56.3604 TIMING: 2358000 CPU: 6842.37, 0.00291361/step Wall: 6842.37, 0.00291361/step, 2.13826 hours remaining, 207.527344 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: 2358000 744.3426 2088.0458 1989.4083 116.1279 -205896.4395 17817.7562 0.0000 0.0000 34185.9881 -148954.7707 298.5547 -183140.7588 -148852.1598 299.4128 -63.9416 -32.3559 559573.2929 -3.0509 -3.1592 PRESSURE: 2358200 -142.867 -59.5613 35.3538 -59.5615 -69.9492 -3.09983 35.3545 -3.10063 -274.013 GPRESSURE: 2358200 -148.562 -78.4477 -52.5119 -106.489 -63.8363 49.1625 108.965 -28.4608 -165.941 PRESSAVG: 2358200 -13.8074 -15.1047 71.9815 -15.1048 -11.3485 -19.3128 71.9816 -19.3129 28.97 GPRESSAVG: 2358200 -14.9475 -15.7238 72.5193 -14.668 -10.2231 -17.2243 75.6285 -21.0586 29.1523 TIMING: 2358200 CPU: 6842.96, 0.00293346/step Wall: 6842.96, 0.00293346/step, 2.15267 hours remaining, 207.527344 MB of memory in use. ENERGY: 2358200 723.4342 2179.4085 1971.0949 124.4417 -205541.3260 17398.5627 0.0000 0.0000 34263.4954 -148880.8887 299.2316 -183144.3841 -148784.6086 299.7011 -162.2764 -126.1129 558457.4070 1.2714 1.3272 PRESSURE: 2358400 -80.2499 20.7827 -26.3231 20.7822 2.91276 -43.7929 -26.3222 -43.7917 -25.9923 GPRESSURE: 2358400 -6.48732 -1.66701 -35.0875 54.6343 50.2477 -26.6935 20.5775 -81.2644 -55.4674 PRESSAVG: 2358400 45.3848 -14.9969 -6.48247 -14.997 53.4029 -20.0219 -6.48235 -20.0218 -52.3274 GPRESSAVG: 2358400 45.2987 -13.7234 -7.76352 -13.4949 53.5784 -21.3775 -6.64054 -18.4645 -52.2968 TIMING: 2358400 CPU: 6843.54, 0.00291114/step Wall: 6843.54, 0.00291114/step, 2.13613 hours remaining, 207.527344 MB of memory in use. ENERGY: 2358400 703.7476 2123.0878 1948.2975 118.3952 -205845.4221 17678.1150 0.0000 0.0000 34394.7156 -148879.0634 300.3776 -183273.7790 -148788.5506 299.8620 -34.4432 -3.9024 558656.5649 15.4868 15.5268 PRESSURE: 2358600 -36.0247 -86.9512 44.6721 -86.9508 -79.9218 242.329 44.6724 242.329 -100.231 GPRESSURE: 2358600 -60.3773 -60.9988 11.1466 -16.441 22.8234 260.678 18.1755 270.312 -81.2417 PRESSAVG: 2358600 26.7982 21.9119 -1.2478 21.9118 -43.8435 22.1475 -1.24774 22.1473 16.3032 GPRESSAVG: 2358600 27.8267 21.0262 -0.695137 21.0061 -44.4042 21.3121 -0.813017 23.9743 16.1366 TIMING: 2358600 CPU: 6844.12, 0.00290635/step Wall: 6844.12, 0.00290635/step, 2.13245 hours remaining, 207.527344 MB of memory in use. ENERGY: 2358600 688.2099 2093.0541 1946.6516 133.9102 -205889.6366 17574.9184 0.0000 0.0000 34417.7903 -149035.1020 300.5791 -183452.8923 -148938.7591 300.2155 -72.0592 -39.5985 557503.5622 -0.2473 -0.1470 PRESSURE: 2358800 -163.924 17.3223 -19.2449 17.3219 15.5393 92.6816 -19.2437 92.6824 196.151 GPRESSURE: 2358800 -113.249 2.39072 -132.421 -27.9163 28.5843 64.6504 36.5002 113.044 219.44 PRESSAVG: 2358800 -20.5401 -9.17936 13.6986 -9.17934 -37.5143 40.3885 13.6986 40.3885 27.2457 GPRESSAVG: 2358800 -21.8661 -8.06862 13.4554 -8.08646 -38.6923 41.2996 13.5146 39.6145 29.6722 TIMING: 2358800 CPU: 6844.71, 0.00291797/step Wall: 6844.71, 0.00291797/step, 2.14082 hours remaining, 207.527344 MB of memory in use. ENERGY: 2358800 753.9458 2136.0905 1978.9773 106.1034 -206178.2036 17762.0633 0.0000 0.0000 34315.5927 -149125.4307 299.6866 -183441.0233 -149034.4085 300.1120 15.9220 44.9249 557608.8426 -10.2696 -10.2954 PRESSURE: 2359000 453.691 48.6103 -255.304 48.611 92.4613 -14.3309 -255.303 -14.3305 88.4469 GPRESSURE: 2359000 540.089 -53.7397 -192.782 22.607 157.94 15.7523 -294.433 -151.616 28.4111 PRESSAVG: 2359000 53.3676 -47.4012 -40.9521 -47.4012 -8.49988 18.8156 -40.9521 18.8157 -5.52477 GPRESSAVG: 2359000 53.839 -47.5756 -39.8584 -47.8776 -8.74556 18.8372 -42.0797 17.2239 -6.12321 TIMING: 2359000 CPU: 6845.29, 0.00291907/step Wall: 6845.29, 0.00291907/step, 2.14146 hours remaining, 207.527344 MB of memory in use. ENERGY: 2359000 764.3387 2097.5231 1974.3524 115.9105 -206571.6127 18233.1739 0.0000 0.0000 34443.2995 -148943.0145 300.8019 -183386.3141 -148845.3674 299.3512 211.5330 242.1466 556238.4026 13.1143 12.9901 PRESSURE: 2359200 331.96 158.127 -106.954 158.128 32.1188 -118.144 -106.955 -118.142 210.464 GPRESSURE: 2359200 269.731 140.626 -67.3053 229.741 119.547 -110.301 -131.196 -89.2186 278.407 PRESSAVG: 2359200 -25.7249 -27.7096 -31.9831 -27.7097 -14.1348 8.23915 -31.9831 8.23915 16.5908 GPRESSAVG: 2359200 -25.516 -29.0826 -32.9989 -29.4472 -13.1902 8.2457 -30.9718 9.51081 15.9695 TIMING: 2359200 CPU: 6845.88, 0.00292357/step Wall: 6845.88, 0.00292357/step, 2.1446 hours remaining, 207.527344 MB of memory in use. ENERGY: 2359200 739.2497 2098.2137 1990.8956 115.6268 -206243.1099 17967.8368 0.0000 0.0000 34365.3804 -148965.9069 300.1214 -183331.2873 -148875.6340 299.3793 191.5145 222.5620 555740.6986 -7.7563 -7.5789 PRESSURE: 2359400 30.4103 50.5601 -161.902 50.561 30.2781 59.763 -161.904 59.761 -259.092 GPRESSURE: 2359400 39.8576 122.396 -105.173 -31.1125 91.6358 83.5294 -179.523 71.8786 -222.091 PRESSAVG: 2359400 -11.371 27.346 21.377 27.346 -3.21456 -13.833 21.377 -13.833 -13.3207 GPRESSAVG: 2359400 -11.1343 27.0588 20.5607 28.956 -3.05444 -12.2717 21.6706 -12.4633 -13.1232 TIMING: 2359400 CPU: 6846.46, 0.00292059/step Wall: 6846.46, 0.00292059/step, 2.14225 hours remaining, 207.527344 MB of memory in use. ENERGY: 2359400 747.9186 2062.9605 1983.3123 113.7797 -205718.1780 17521.9152 0.0000 0.0000 34439.9238 -148848.3678 300.7724 -183288.2916 -148753.1057 300.5040 -66.1346 -30.1992 557643.6874 -9.3021 -9.1040 PRESSURE: 2359600 51.5252 -53.0665 -99.9924 -53.0652 -113.483 117.903 -99.9945 117.903 181.934 GPRESSURE: 2359600 52.1867 4.49776 -110.497 -58.1644 -62.6224 253.887 -96.1782 93.1293 239.595 PRESSAVG: 2359600 -23.3145 -36.6306 -2.73549 -36.6306 -6.44977 20.7812 -2.73544 20.7812 63.2657 GPRESSAVG: 2359600 -23.6499 -35.4179 -1.94088 -37.6013 -6.57795 18.7939 -4.46356 21.5049 63.3306 TIMING: 2359600 CPU: 6847.04, 0.00290585/step Wall: 6847.04, 0.00290585/step, 2.13128 hours remaining, 207.527344 MB of memory in use. ENERGY: 2359600 762.1058 2028.3394 2008.0335 117.3460 -206164.1468 17851.8007 0.0000 0.0000 34236.5636 -149159.9579 298.9964 -183396.5215 -149067.8973 300.2003 39.9920 76.3865 555076.1973 11.1671 11.0343 PRESSURE: 2359800 162.452 46.3952 -33.7145 46.3947 -356.775 55.5148 -33.7151 55.5154 54.0899 GPRESSURE: 2359800 188.863 89.6772 -27.678 95.5245 -312.955 46.9842 -84.1006 28.6716 90.8172 PRESSAVG: 2359800 58.6205 -25.9605 -50.0785 -25.9605 -29.0012 39.5766 -50.0785 39.5766 9.50906 GPRESSAVG: 2359800 58.6113 -25.8467 -50.9501 -26.563 -29.6229 40.4856 -48.1099 37.2624 10.3941 TIMING: 2359800 CPU: 6847.62, 0.00291442/step Wall: 6847.62, 0.00291442/step, 2.13741 hours remaining, 207.527344 MB of memory in use. ENERGY: 2359800 786.5957 2074.5377 1998.3315 119.6423 -206309.4206 17771.0692 0.0000 0.0000 34298.5300 -149260.7141 299.5376 -183559.2441 -149166.7840 299.8490 -46.7445 -11.0913 554412.0938 13.0428 13.1275 PRESSURE: 2360000 47.6247 -27.5906 37.1319 -27.5915 -59.9062 -95.5164 37.1332 -95.5157 -121.987 GPRESSURE: 2360000 37.2467 -24.882 12.4588 6.74377 -13.1748 41.1703 84.4047 -133.835 -78.2036 PRESSAVG: 2360000 91.9227 17.1586 -32.0699 17.1587 -55.7388 39.8427 -32.0699 39.8427 -31.1929 GPRESSAVG: 2360000 91.9695 16.7668 -34.0401 18.3219 -55.1954 40.4124 -31.4889 39.1959 -32.9043 TIMING: 2360000 CPU: 6848.21, 0.00291199/step Wall: 6848.21, 0.00291199/step, 2.13546 hours remaining, 207.527344 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: 2360000 758.7186 2113.8816 1959.2018 117.8145 -206021.9670 17686.3558 0.0000 0.0000 34022.1158 -149363.8790 297.1236 -183385.9947 -149269.5708 299.0033 -44.7562 -18.0439 558751.8559 1.6637 1.2899 PRESSURE: 2360200 111.478 -111.25 -129.804 -111.251 206.474 19.1032 -129.804 19.1035 85.5664 GPRESSURE: 2360200 112.65 -115.294 -41.0751 -146.942 293.968 -51.658 -109.519 100.093 81.0359 PRESSAVG: 2360200 -41.5846 51.5644 -28.911 51.5644 -9.03468 21.3958 -28.9109 21.3959 20.1274 GPRESSAVG: 2360200 -42.4293 52.3231 -26.3269 50.8391 -8.88533 19.0448 -29.3577 21.6838 21.512 TIMING: 2360200 CPU: 6848.79, 0.00291232/step Wall: 6848.79, 0.00291232/step, 2.13554 hours remaining, 207.527344 MB of memory in use. ENERGY: 2360200 713.2317 2072.2833 1983.7059 111.3815 -206521.6049 18145.0357 0.0000 0.0000 34100.4203 -149395.5463 297.8075 -183495.9667 -149303.5976 299.0614 134.5060 162.5512 558545.5143 -10.1640 -9.9342 LDB: ============= START OF LOAD BALANCING ============== 6852.26 LDB: ============== END OF LOAD BALANCING =============== 6852.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6852.26 LDB: ============= START OF LOAD BALANCING ============== 6852.55 LDB: Largest compute 4821 load 0.030709 is 26.1% of average load 0.117726 LDB: Average compute 0.001732 is 1.5% of average load 0.117726 LDB: TIME 6852.55 LOAD: AVG 0.117726 MAX 0.178333 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 6852.56 LOAD: AVG 0.117726 MAX 0.178333 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: TIME 6852.56 LOAD: AVG 0.117726 MAX 0.178333 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.648 MB LDB: ============== END OF LOAD BALANCING =============== 6852.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6852.56 PRESSURE: 2360400 -48.9401 112.854 -137.387 112.856 -142.198 -11.9347 -137.386 -11.9374 139.854 GPRESSURE: 2360400 -76.7841 45.9546 -123.258 121.755 -4.32153 -4.15581 -152.678 -52.9019 131.926 PRESSAVG: 2360400 -36.4477 39.6247 16.7308 39.6246 -40.2856 -2.38688 16.7307 -2.38694 45.0948 GPRESSAVG: 2360400 -35.6436 38.3902 16.285 41.1296 -39.3493 -0.870155 16.4345 0.0648643 44.2482 TIMING: 2360400 CPU: 6849.39, 0.0029872/step Wall: 6849.39, 0.0029872/step, 2.19028 hours remaining, 204.902344 MB of memory in use. ENERGY: 2360400 735.4384 2125.3946 1958.0682 117.2721 -206413.7428 17890.2661 0.0000 0.0000 34159.7212 -149427.5822 298.3253 -183587.3034 -149338.4287 298.2017 -17.0946 16.9402 558762.9334 -10.5462 -10.2482 PRESSURE: 2360600 -37.9129 -5.05417 93.5734 -5.05463 9.11189 -83.9616 93.5739 -83.9627 -25.7707 GPRESSURE: 2360600 8.53375 60.7665 232.883 -57.6457 -1.37859 -7.7966 -41.3065 -158.049 41.7041 PRESSAVG: 2360600 41.9313 40.8363 -16.3735 40.8362 -47.4999 -1.32198 -16.3734 -1.32196 26.9888 GPRESSAVG: 2360600 40.708 41.4976 -15.1659 38.5475 -48.2717 -0.423722 -19.0671 -3.83923 28.2076 TIMING: 2360600 CPU: 6849.97, 0.00291364/step Wall: 6849.97, 0.00291364/step, 2.13618 hours remaining, 205.160156 MB of memory in use. ENERGY: 2360600 779.7109 2097.5842 1968.4276 102.7662 -206211.6945 17825.0911 0.0000 0.0000 34141.4687 -149296.6457 298.1659 -183438.1145 -149206.8866 298.3995 -18.1906 16.2864 557476.4291 7.1401 6.8813 PRESSURE: 2360800 -485.04 60.4717 -18.5741 60.4714 -85.968 -35.3359 -18.5743 -35.3368 10.6251 GPRESSURE: 2360800 -481.617 172.472 2.79867 52.5076 -61.1141 -7.37644 1.10342 -66.2139 66.6763 PRESSAVG: 2360800 -35.9765 36.2722 8.27708 36.2722 -63.056 48.6001 8.27697 48.6 90.2873 GPRESSAVG: 2360800 -35.8575 36.548 8.27926 39.1474 -64.1521 49.4446 10.7073 50.144 91.4355 TIMING: 2360800 CPU: 6850.55, 0.00291046/step Wall: 6850.55, 0.00291046/step, 2.13369 hours remaining, 205.160156 MB of memory in use. ENERGY: 2360800 721.7981 2080.5891 1933.3808 112.7505 -205891.7476 17455.0739 0.0000 0.0000 34342.7881 -149245.3671 299.9241 -183588.1552 -149150.7569 298.4337 -186.7943 -158.6851 558007.0603 -2.9150 -2.8580 PRESSURE: 2361000 -309.053 -2.31462 -64.384 -2.3144 -153.18 113.078 -64.3849 113.078 -257.164 GPRESSURE: 2361000 -249.225 -8.1997 -19.481 37.5795 -158.892 100.72 -53.2227 100.632 -222.603 PRESSAVG: 2361000 -52.0166 49.585 4.63177 49.5851 -24.7264 51.2372 4.63173 51.2372 75.3397 GPRESSAVG: 2361000 -51.5623 50.4518 2.36626 48.4662 -23.4896 49.9887 7.14823 51.8918 74.0806 TIMING: 2361000 CPU: 6851.13, 0.00290311/step Wall: 6851.13, 0.00290311/step, 2.12814 hours remaining, 205.230469 MB of memory in use. ENERGY: 2361000 785.1428 2094.9885 1959.5562 105.6117 -205654.1101 17393.6641 0.0000 0.0000 34126.9978 -149188.1489 298.0396 -183315.1467 -149090.5699 298.8175 -239.7990 -210.2401 557739.5267 -0.4678 -0.3238 PRESSURE: 2361200 -329.332 -55.0435 229.378 -55.0441 -98.6552 85.1087 229.379 85.1074 -116.501 GPRESSURE: 2361200 -270.261 -127.65 320.023 -11.7082 -10.9533 103.358 114.602 63.5648 -162.02 PRESSAVG: 2361200 28.5874 5.21324 37.864 5.21325 12.7755 61.274 37.864 61.2739 -24.058 GPRESSAVG: 2361200 29.929 4.62257 38.3238 4.58758 12.3872 62.0237 34.746 60.9054 -25.0992 TIMING: 2361200 CPU: 6851.71, 0.00290708/step Wall: 6851.71, 0.00290707/step, 2.13089 hours remaining, 205.230469 MB of memory in use. ENERGY: 2361200 749.0422 2085.6142 1969.0046 111.8559 -205703.9564 17362.0563 0.0000 0.0000 34358.4006 -149067.9827 300.0605 -183426.3833 -148969.3009 299.4973 -181.4959 -147.7447 556903.4912 5.7683 5.7390 PRESSURE: 2361400 -59.1078 -47.8577 18.4627 -47.8573 138.284 -91.8496 18.4638 -91.8488 260.114 GPRESSURE: 2361400 4.48019 -113.523 15.5529 12.1016 175.448 -33.5356 -42.8726 -108.526 256.286 PRESSAVG: 2361400 -2.70626 46.814 9.1572 46.814 -43.3896 41.5622 9.1573 41.5622 21.5978 GPRESSAVG: 2361400 -2.07458 46.0988 10.0958 49.0932 -44.2477 40.7594 8.48008 42.9333 22.543 TIMING: 2361400 CPU: 6852.29, 0.00290922/step Wall: 6852.29, 0.00290921/step, 2.13229 hours remaining, 205.230469 MB of memory in use. ENERGY: 2361400 764.5122 2127.6629 1963.9022 119.2223 -206203.0641 17854.9025 0.0000 0.0000 34301.7806 -149071.0814 299.5660 -183372.8620 -148973.7440 299.3268 113.0967 145.4047 556875.9862 -8.1660 -7.9264 PRESSURE: 2361600 103.132 -5.20746 -168.79 -5.20769 53.0674 41.308 -168.789 41.3089 315.334 GPRESSURE: 2361600 126.553 -32.8299 -196.309 -67.7668 67.5039 170.82 -128.076 44.8874 374.372 PRESSAVG: 2361600 -8.82347 -1.29619 7.91657 -1.29631 -19.5285 -40.3083 7.91653 -40.3083 69.7176 GPRESSAVG: 2361600 -9.78862 0.77347 6.14614 -3.83784 -18.3852 -40.1793 9.93522 -39.3911 69.6596 TIMING: 2361600 CPU: 6852.88, 0.00291286/step Wall: 6852.88, 0.00291286/step, 2.1348 hours remaining, 205.230469 MB of memory in use. ENERGY: 2361600 759.0755 2110.4700 1948.3252 118.0637 -206451.8318 18033.2736 0.0000 0.0000 34342.4157 -149140.2082 299.9209 -183482.6240 -149043.9281 300.4127 157.1778 189.4761 556315.3921 13.7885 13.8286 PRESSURE: 2361800 -251.804 83.0244 225.446 83.0244 -109.173 44.4594 225.445 44.4595 153.926 GPRESSURE: 2361800 -201.801 105.008 195.509 86.0633 -68.4742 92.3712 220.857 -65.5953 152.651 PRESSAVG: 2361800 5.65264 -3.11125 65.3571 -3.11127 -70.3663 45.2733 65.357 45.2731 87.2688 GPRESSAVG: 2361800 6.2825 -2.2832 66.8015 -3.08128 -70.6463 46.1171 64.4775 43.4225 86.5564 TIMING: 2361800 CPU: 6853.46, 0.00291028/step Wall: 6853.46, 0.00291028/step, 2.13275 hours remaining, 205.230469 MB of memory in use. ENERGY: 2361800 747.7750 2109.9480 1956.5002 107.2176 -205770.3199 17497.1053 0.0000 0.0000 34241.0908 -149110.6828 299.0360 -183351.7736 -149008.7866 299.7110 -69.0169 -39.2080 557957.2184 7.5184 7.3975 PRESSURE: 2362000 176.656 11.5444 -82.9124 11.5441 168.664 104.904 -82.9117 104.902 68.0569 GPRESSURE: 2362000 229.035 -30.9544 -104.028 5.93412 192.213 120.543 -164.704 61.5249 90.7273 PRESSAVG: 2362000 21.9764 24.3037 24.9313 24.3037 -11.3361 -7.10738 24.9313 -7.10748 7.05234 GPRESSAVG: 2362000 20.8588 23.1192 26.1373 23.3087 -9.95074 -6.1196 22.1257 -10.5823 6.65037 TIMING: 2362000 CPU: 6854.04, 0.00291284/step Wall: 6854.04, 0.00291284/step, 2.13446 hours remaining, 205.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2362000 743.0473 2047.1138 1960.2463 116.1063 -206249.7316 17947.3203 0.0000 0.0000 34342.0061 -149093.8915 299.9173 -183435.8976 -148996.0843 299.3560 137.7924 170.6585 557833.4837 5.8975 5.8528 PRESSURE: 2362200 -122.896 5.14235 -0.963849 5.14123 35.5126 221.866 -0.963239 221.865 -83.3939 GPRESSURE: 2362200 -71.4632 -88.0263 31.2631 75.5321 55.2689 244.764 -22.0242 201.695 -51.1167 PRESSAVG: 2362200 4.78184 14.3388 -41.9861 14.3388 31.5139 36.8646 -41.9861 36.8647 -14.3231 GPRESSAVG: 2362200 5.1616 15.3653 -43.4856 16.0736 31.5146 35.5366 -38.3327 39.3596 -14.9137 TIMING: 2362200 CPU: 6854.62, 0.00289883/step Wall: 6854.62, 0.00289883/step, 2.12404 hours remaining, 205.230469 MB of memory in use. ENERGY: 2362200 720.5264 2068.8187 1980.6672 124.8720 -206335.5056 17788.7431 0.0000 0.0000 34380.5532 -149271.3250 300.2539 -183651.8782 -149164.5443 298.9504 -56.9257 -22.4370 557621.8980 7.3242 7.2542 PRESSURE: 2362400 262.916 30.5174 113.181 30.5162 -25.0189 70.5058 113.18 70.5057 117.81 GPRESSURE: 2362400 257.055 -16.772 75.2577 152.18 64.9146 150.01 150.084 69.7424 132.284 PRESSAVG: 2362400 1.41479 8.0861 27.3519 8.0861 -16.2011 -19.235 27.352 -19.2349 14.9946 GPRESSAVG: 2362400 1.73982 8.40791 27.6006 7.89364 -17.0913 -19.7708 25.0395 -19.0397 15.2138 TIMING: 2362400 CPU: 6855.2, 0.0029047/step Wall: 6855.2, 0.0029047/step, 2.12818 hours remaining, 205.472656 MB of memory in use. ENERGY: 2362400 715.3544 2094.3076 1940.0496 107.1103 -206631.2711 18038.2944 0.0000 0.0000 34232.6398 -149503.5151 298.9622 -183736.1549 -149405.5443 299.2416 118.5693 151.4178 557007.3225 0.0694 -0.0459 PRESSURE: 2362600 -21.3291 80.1835 -113.736 80.1839 15.4001 -226.077 -113.735 -226.077 168.796 GPRESSURE: 2362600 30.9188 88.9166 -118.815 4.5217 55.5731 -184.099 -94.1142 -249.003 188.619 PRESSAVG: 2362600 44.1043 4.64184 76.6716 4.64183 -77.7791 -27.4685 76.6717 -27.4684 4.82776 GPRESSAVG: 2362600 43.307 2.63181 75.1245 4.92162 -77.1309 -27.2357 78.4106 -27.9325 5.19868 TIMING: 2362600 CPU: 6855.78, 0.00289134/step Wall: 6855.78, 0.00289134/step, 2.11823 hours remaining, 205.472656 MB of memory in use. ENERGY: 2362600 734.1229 2091.4090 1923.0293 106.5488 -206659.5391 18014.3768 0.0000 0.0000 34217.1234 -149572.9290 298.8266 -183790.0524 -149476.0847 297.8347 54.2891 91.7037 556900.2899 -9.6157 -9.5417 PRESSURE: 2362800 226.541 -35.0585 154.655 -35.058 102.257 -20.0475 154.655 -20.0479 -18.5045 GPRESSURE: 2362800 297.266 35.9101 80.2245 -112.992 108.822 -102.525 197.484 -22.749 -3.82452 PRESSAVG: 2362800 43.2001 -11.6422 11.2835 -11.6422 -28.3155 -36.5277 11.2834 -36.5277 38.3553 GPRESSAVG: 2362800 43.5316 -10.9147 11.509 -11.1399 -28.4672 -37.0831 11.7802 -34.4712 38.7454 TIMING: 2362800 CPU: 6856.36, 0.00289958/step Wall: 6856.36, 0.00289958/step, 2.12411 hours remaining, 205.472656 MB of memory in use. ENERGY: 2362800 742.8510 2127.6878 1958.0607 110.6841 -206503.7223 17976.9480 0.0000 0.0000 34219.8989 -149367.5918 298.8509 -183587.4907 -149272.9201 298.1641 103.4314 134.0878 556809.1991 17.7467 17.9366 PRESSURE: 2363000 -228.199 -73.2521 31.8397 -73.2519 5.06099 -41.0287 31.8394 -41.029 97.0455 GPRESSURE: 2363000 -181.171 -76.1679 -41.5662 -110.918 53.4356 14.2005 118.688 -86.4273 95.5667 PRESSAVG: 2363000 22.3639 -14.9025 -16.503 -14.9023 -17.5675 -88.2469 -16.503 -88.2469 -37.1987 GPRESSAVG: 2363000 22.7682 -15.5954 -13.1167 -16.8411 -17.5822 -88.1035 -18.583 -88.8819 -37.2752 TIMING: 2363000 CPU: 6856.94, 0.00291672/step Wall: 6856.94, 0.00291672/step, 2.1365 hours remaining, 205.472656 MB of memory in use. ENERGY: 2363000 711.2804 2132.7059 1953.8893 124.0835 -206133.4004 17586.8670 0.0000 0.0000 34273.2753 -149351.2988 299.3170 -183624.5742 -149251.1805 298.7419 -42.0309 -10.7229 557151.4127 -10.8008 -10.6964 PRESSURE: 2363200 -206.578 -57.6977 196.433 -57.6969 32.5956 7.43433 196.434 7.4337 -210.319 GPRESSURE: 2363200 -133.218 -50.9949 209.037 -113.813 10.2337 -54.9806 204.507 21.8446 -156.945 PRESSAVG: 2363200 -95.6218 2.15126 -30.442 2.15133 27.1699 -10.6583 -30.442 -10.6583 46.2256 GPRESSAVG: 2363200 -94.9685 2.49584 -32.3502 4.25543 25.9486 -11.692 -29.9055 -10.4744 46.9499 TIMING: 2363200 CPU: 6857.52, 0.0029028/step Wall: 6857.52, 0.00290281/step, 2.12614 hours remaining, 205.472656 MB of memory in use. ENERGY: 2363200 769.7400 2094.2202 1983.7438 108.8712 -206459.1866 17744.0244 0.0000 0.0000 34319.8445 -149438.7425 299.7237 -183758.5870 -149341.2091 298.4541 -128.1006 -93.3098 557481.2102 -7.4088 -7.3567 PRESSURE: 2363400 6.8313 -105.571 -95.205 -105.571 160.661 -0.216586 -95.2067 -0.217282 101.48 GPRESSURE: 2363400 44.1631 -67.4832 -188.557 -111.534 182.523 54.3399 -96.1318 -17.9205 135.054 PRESSAVG: 2363400 -3.21597 -31.6 -35.3767 -31.6 -12.5372 -36.249 -35.3768 -36.249 -4.89863 GPRESSAVG: 2363400 -4.85656 -32.5905 -35.7595 -31.8985 -11.3567 -33.3663 -33.9183 -38.3614 -4.62574 TIMING: 2363400 CPU: 6858.11, 0.00291902/step Wall: 6858.11, 0.00291902/step, 2.13786 hours remaining, 205.472656 MB of memory in use. ENERGY: 2363400 764.5592 2081.2062 1948.0974 109.5957 -206873.3572 18025.0942 0.0000 0.0000 34303.1651 -149641.6394 299.5781 -183944.8045 -149541.9522 298.6625 89.6576 120.5799 556386.3244 -6.8839 -6.9463 PRESSURE: 2363600 -136.591 34.2204 -195.413 34.2194 -162.232 32.2331 -195.413 32.2345 23.4322 GPRESSURE: 2363600 -97.3884 -32.6068 -164.909 29.6822 -99.1221 46.7756 -222.537 74.4544 6.35498 PRESSAVG: 2363600 -60.3866 3.01191 -23.8719 3.0119 35.517 -45.6868 -23.8719 -45.6868 12.588 GPRESSAVG: 2363600 -59.6809 3.69071 -23.8764 2.23571 34.6684 -45.5113 -23.5723 -44.3959 12.9454 TIMING: 2363600 CPU: 6858.69, 0.00291518/step Wall: 6858.69, 0.00291518/step, 2.13489 hours remaining, 205.472656 MB of memory in use. ENERGY: 2363600 752.7947 2115.8911 1956.1249 114.7652 -206284.2328 17575.8795 0.0000 0.0000 34242.1261 -149526.6513 299.0450 -183768.7774 -149426.3145 298.6449 -91.7968 -63.3852 556447.0058 -4.0939 -4.0224 PRESSURE: 2363800 156.033 -99.6933 99.9435 -99.6935 -76.4484 -110.953 99.944 -110.954 129.263 GPRESSURE: 2363800 174.743 -41.3418 168.763 -188.063 -58.4018 -213.134 -7.9701 -91.9812 182.223 PRESSAVG: 2363800 -54.8871 -14.2505 16.0884 -14.2506 52.6156 -13.5938 16.0884 -13.5938 25.4675 GPRESSAVG: 2363800 -54.5063 -14.4232 15.2781 -13.4796 52.1173 -14.6032 13.4672 -13.2201 25.5999 TIMING: 2363800 CPU: 6859.27, 0.00291197/step Wall: 6859.27, 0.00291197/step, 2.13237 hours remaining, 205.472656 MB of memory in use. ENERGY: 2363800 752.1216 2057.5247 1951.6861 111.1819 -206579.9762 17780.0211 0.0000 0.0000 34238.9631 -149688.4777 299.0174 -183927.4408 -149596.2608 298.1301 69.6158 99.5214 554425.2563 7.7320 7.7370 PRESSURE: 2364000 -272.68 2.61441 -35.2337 2.61409 -142.474 -75.9267 -35.2349 -75.9274 14.0842 GPRESSURE: 2364000 -223.017 -52.6623 12.4241 -72.1872 -187.088 -98.8803 -51.0734 7.80228 97.7876 PRESSAVG: 2364000 15.2033 4.3887 -22.3828 4.38874 -29.6622 -58.2966 -22.3829 -58.2965 39.2353 GPRESSAVG: 2364000 15.0054 5.07587 -21.3381 3.57009 -28.9082 -59.3166 -20.2846 -56.6481 38.8239 TIMING: 2364000 CPU: 6859.85, 0.00288481/step Wall: 6859.85, 0.00288481/step, 2.11232 hours remaining, 205.472656 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: 2364000 734.6369 2152.7194 1950.7735 117.7508 -206182.9724 17607.5164 0.0000 0.0000 34021.2150 -149598.3603 297.1157 -183619.5753 -149495.6658 297.8130 -133.6900 -104.1055 556428.7071 8.2588 8.3070 PRESSURE: 2364200 -100.977 34.1879 17.1343 34.1869 -105.983 -16.1944 17.1326 -16.1943 54.357 GPRESSURE: 2364200 -62.9585 -16.3254 -43.6113 76.1261 -56.2801 -106.36 18.7889 -4.07597 66.8356 PRESSAVG: 2364200 -34.4663 16.8354 -66.5955 16.8355 -51.4964 -35.5397 -66.5957 -35.5398 69.7541 GPRESSAVG: 2364200 -34.1612 15.4165 -66.5142 18.1887 -50.7892 -37.501 -66.0733 -37.5287 69.1718 TIMING: 2364200 CPU: 6860.43, 0.0028851/step Wall: 6860.43, 0.0028851/step, 2.11238 hours remaining, 205.472656 MB of memory in use. ENERGY: 2364200 747.8219 2096.3625 1979.3185 122.7411 -206392.4890 17777.0611 0.0000 0.0000 34187.6558 -149481.5281 298.5693 -183669.1839 -149391.4556 297.6035 -50.8677 -17.4677 555550.9243 -5.4028 -5.2595 LDB: ============= START OF LOAD BALANCING ============== 6863.89 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6863.89 LDB: =============== DONE WITH MIGRATION ================ 6863.9 LDB: ============= START OF LOAD BALANCING ============== 6864.19 LDB: Largest compute 4821 load 0.030392 is 25.8% of average load 0.117765 LDB: Average compute 0.001726 is 1.5% of average load 0.117765 LDB: TIME 6864.19 LOAD: AVG 0.117765 MAX 0.176528 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 6864.19 LOAD: AVG 0.117765 MAX 0.176528 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 6864.19 LOAD: AVG 0.117765 MAX 0.176528 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 6864.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6864.2 PRESSURE: 2364400 59.7866 -70.9434 36.3127 -70.9416 146.686 90.3379 36.3117 90.3391 54.9396 GPRESSURE: 2364400 83.5575 19.7997 44.8305 13.1621 166.744 83.2266 -26.3302 109.795 99.7942 PRESSAVG: 2364400 65.1552 -10.8429 13.4185 -10.8429 -16.7044 -5.03791 13.4186 -5.038 -57.9733 GPRESSAVG: 2364400 64.7738 -6.90259 13.3074 -12.3317 -16.9378 -3.89733 14.4766 -5.17463 -57.5559 TIMING: 2364400 CPU: 6861.02, 0.00296358/step Wall: 6861.02, 0.00296358/step, 2.16967 hours remaining, 205.527344 MB of memory in use. ENERGY: 2364400 753.0187 2141.9312 1953.8386 110.3284 -206597.3916 17896.0437 0.0000 0.0000 34319.6473 -149422.5837 299.7220 -183742.2311 -149328.4680 298.6588 87.1373 116.6987 555117.0289 -3.1742 -3.2400 PRESSURE: 2364600 8.10621 50.0675 -28.1837 50.0674 -255.172 -0.702369 -28.1832 -0.700138 -347.12 GPRESSURE: 2364600 51.8759 -25.0709 74.3167 83.3677 -226.981 40.9522 -93.2604 -65.6685 -325.57 PRESSAVG: 2364600 -50.4929 -32.7071 -14.7473 -32.707 -28.5535 -6.11181 -14.7473 -6.11173 -1.98564 GPRESSAVG: 2364600 -50.7768 -34.9189 -14.1796 -33.6365 -28.9589 -3.91484 -17.1118 -8.62762 -1.70918 TIMING: 2364600 CPU: 6861.6, 0.00287897/step Wall: 6861.6, 0.00287897/step, 2.10757 hours remaining, 205.578125 MB of memory in use. ENERGY: 2364600 765.0905 2128.7773 1945.0526 118.5506 -206003.6064 17495.9466 0.0000 0.0000 34290.4629 -149259.7259 299.4671 -183550.1888 -149169.0113 298.7896 -198.0619 -166.8917 556451.1110 -27.0107 -27.1483 PRESSURE: 2364800 -51.8288 -5.74536 -105.84 -5.7464 -195.643 -45.5153 -105.84 -45.5145 -355.079 GPRESSURE: 2364800 -19.2506 -9.22158 -152.92 -2.78696 -182.026 41.441 -134.87 3.53079 -296.325 PRESSAVG: 2364800 49.5226 -30.1001 0.565801 -30.1002 -12.087 40.9487 0.56589 40.9487 -42.504 GPRESSAVG: 2364800 49.9093 -30.0117 0.470295 -27.3568 -12.9199 41.0727 2.6997 44.7604 -41.5066 TIMING: 2364800 CPU: 6862.18, 0.00290416/step Wall: 6862.18, 0.00290417/step, 2.12585 hours remaining, 205.578125 MB of memory in use. ENERGY: 2364800 772.5637 2118.0105 1950.2289 120.0525 -206070.7186 17439.5621 0.0000 0.0000 34498.2787 -149172.0224 301.2820 -183670.3010 -149075.0317 299.3375 -200.8504 -165.8671 556767.3433 -1.6895 -1.5057 PRESSURE: 2365000 -136.34 96.8711 157.934 96.8701 -46.7895 23.5597 157.934 23.5588 92.6573 GPRESSURE: 2365000 -90.4184 82.8235 9.48666 43.1068 -19.5809 5.18822 190.482 72.6426 114.348 PRESSAVG: 2365000 82.3356 -56.4622 22.85 -56.4621 -30.817 40.528 22.85 40.528 -18.5688 GPRESSAVG: 2365000 82.5989 -57.2491 21.1191 -55.8232 -30.18 39.1937 21.2187 38.2733 -19.689 TIMING: 2365000 CPU: 6862.75, 0.00288276/step Wall: 6862.75, 0.00288276/step, 2.11002 hours remaining, 205.578125 MB of memory in use. ENERGY: 2365000 747.8354 2087.0355 1969.4889 100.6128 -205794.0717 17610.9783 0.0000 0.0000 34003.1923 -149274.9285 296.9583 -183278.1207 -149179.2419 298.7482 -30.1576 1.4495 556190.8318 10.9833 10.9099 PRESSURE: 2365200 -74.9325 -101.998 -45.9155 -101.999 -257.648 -3.012 -45.9149 -3.01338 -114.763 GPRESSURE: 2365200 -4.87083 -59.0886 -104.912 -88.1278 -190.067 50.0664 1.25809 -89.0959 -160.266 PRESSAVG: 2365200 30.9502 -13.568 -18.6797 -13.5679 -85.0092 6.48855 -18.6798 6.48841 83.0097 GPRESSAVG: 2365200 31.3 -12.7585 -18.41 -16.3032 -85.3944 7.00607 -17.2334 8.19275 82.9416 TIMING: 2365200 CPU: 6863.33, 0.00288815/step Wall: 6863.33, 0.00288815/step, 2.11381 hours remaining, 205.578125 MB of memory in use. ENERGY: 2365200 710.3611 2089.8231 1985.0938 107.8610 -205598.9873 17349.4829 0.0000 0.0000 34090.7622 -149265.6033 297.7231 -183356.3656 -149167.1104 299.6176 -149.1146 -118.4013 556810.0884 9.6502 9.6158 PRESSURE: 2365400 -68.892 -147.044 1.0164 -147.044 -78.7671 12.63 1.01727 12.6311 -144.932 GPRESSURE: 2365400 -85.0499 -222.395 25.3068 -116.484 -32.1165 64.0719 2.28843 41.4629 -68.7896 PRESSAVG: 2365400 34.0411 -22.5162 -67.176 -22.5161 -48.8176 31.1676 -67.1761 31.1675 -2.72764 GPRESSAVG: 2365400 33.3406 -21.8572 -65.8261 -22.7188 -49.7238 31.2105 -69.4712 31.2233 -1.1181 TIMING: 2365400 CPU: 6863.91, 0.00290707/step Wall: 6863.91, 0.00290707/step, 2.12749 hours remaining, 205.578125 MB of memory in use. ENERGY: 2365400 725.3397 2065.6878 1967.7999 120.1502 -205919.2228 17527.1746 0.0000 0.0000 34354.1815 -149158.8891 300.0236 -183513.0706 -149056.9410 299.3420 -97.5304 -61.9853 556578.8845 -5.8347 -5.8338 PRESSURE: 2365600 18.3874 -120.76 -85.5918 -120.76 -270.676 -24.7509 -85.5912 -24.7513 -97.6017 GPRESSURE: 2365600 40.6389 -126.698 -72.1533 -145.705 -169.063 52.3135 -3.71852 -26.8488 -127.713 PRESSAVG: 2365600 36.1021 21.4864 -5.94357 21.4864 -68.2106 -58.8386 -5.94346 -58.8385 47.3385 GPRESSAVG: 2365600 36.7304 18.6849 -9.36933 23.5143 -66.6724 -58.2567 -1.91039 -59.9901 45.4995 TIMING: 2365600 CPU: 6864.5, 0.00291905/step Wall: 6864.5, 0.00291905/step, 2.1361 hours remaining, 205.578125 MB of memory in use. ENERGY: 2365600 742.9841 2041.2726 1979.6217 106.6683 -205862.1098 17549.1907 0.0000 0.0000 34188.8535 -149253.5191 298.5798 -183442.3725 -149161.9663 298.5954 -116.6300 -85.3789 557103.9126 5.0767 5.1858 PRESSURE: 2365800 100.378 -84.8903 2.78538 -84.8904 -272.708 95.5709 2.78529 95.569 -377.11 GPRESSURE: 2365800 63.3322 -176.498 3.54137 -132.12 -200.413 83.7214 -15.7025 91.1138 -312.001 PRESSAVG: 2365800 50.251 -26.3226 2.70044 -26.3227 -17.3052 26.5924 2.7004 26.5923 -15.461 GPRESSAVG: 2365800 48.5375 -24.6593 6.23982 -28.7222 -16.5428 24.13 -0.409026 27.5025 -14.4098 TIMING: 2365800 CPU: 6865.07, 0.00288931/step Wall: 6865.07, 0.00288931/step, 2.11417 hours remaining, 205.578125 MB of memory in use. ENERGY: 2365800 732.9351 2103.3117 1948.5629 131.7971 -205904.2089 17531.4731 0.0000 0.0000 34308.4874 -149147.6416 299.6246 -183456.1290 -149055.9745 298.8152 -183.1464 -149.6939 559887.9508 5.8282 5.8616 PRESSURE: 2366000 221.477 67.7662 8.04799 67.7674 97.2555 110.594 8.04845 110.594 -132.952 GPRESSURE: 2366000 251.184 58.7771 -30.0062 7.96978 74.2433 66.027 9.29449 87.1673 -23.9326 PRESSAVG: 2366000 26.8405 -24.0172 -21.916 -24.0172 14.2179 20.8205 -21.916 20.8205 -72.8493 GPRESSAVG: 2366000 27.9324 -24.1455 -22.6058 -22.9044 13.2505 21.342 -21.8944 21.4606 -73.8072 TIMING: 2366000 CPU: 6865.65, 0.00289836/step Wall: 6865.65, 0.00289836/step, 2.12063 hours remaining, 205.578125 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: 2366000 747.7041 2055.1828 1954.7308 125.7949 -206250.5160 17883.5418 0.0000 0.0000 34435.8727 -149047.6889 300.7370 -183483.5616 -148955.0601 299.3171 61.9267 100.4981 557490.8900 -10.5970 -10.8747 PRESSURE: 2366200 120.925 -55.5016 56.2208 -55.5005 273.449 -103.125 56.2203 -103.125 35.0137 GPRESSURE: 2366200 190.991 43.2947 -17.7193 -103.189 288.216 -93.071 66.5105 -86.2539 47.7925 PRESSAVG: 2366200 40.4395 -7.21729 -27.2115 -7.21734 38.0117 -9.73974 -27.2115 -9.73977 -70.2022 GPRESSAVG: 2366200 40.8746 -6.05591 -27.5027 -7.00742 37.5771 -8.51927 -25.8074 -11.5946 -70.1784 TIMING: 2366200 CPU: 6866.24, 0.00291046/step Wall: 6866.24, 0.00291046/step, 2.12932 hours remaining, 205.578125 MB of memory in use. ENERGY: 2366200 737.7904 2107.3395 1960.6919 107.4766 -206319.3462 17989.5598 0.0000 0.0000 34326.4723 -149090.0157 299.7816 -183416.4880 -148986.9861 299.7792 143.1293 175.6666 557025.9785 2.7497 2.7577 PRESSURE: 2366400 68.6596 -82.061 64.1077 -82.062 -137.703 151.898 64.1076 151.897 89.8014 GPRESSURE: 2366400 108.886 -129.821 45.7615 -0.299471 -84.9034 46.5368 17.962 196.086 75.463 PRESSAVG: 2366400 26.1814 -39.2935 6.98651 -39.2934 -24.7514 34.439 6.98651 34.4389 -14.8006 GPRESSAVG: 2366400 27.1874 -39.9223 6.11504 -38.7145 -24.6277 33.301 6.32601 36.226 -16.2521 TIMING: 2366400 CPU: 6866.82, 0.00291548/step Wall: 6866.82, 0.00291548/step, 2.13283 hours remaining, 205.578125 MB of memory in use. ENERGY: 2366400 677.5308 2121.7400 1966.4753 123.6636 -205951.9795 17706.7383 0.0000 0.0000 34299.2982 -149056.5331 299.5443 -183355.8314 -148962.7032 299.3171 6.9192 33.1486 557450.9473 -4.4569 -4.5641 PRESSURE: 2366600 224.593 -39.5995 -35.7863 -39.6017 115.949 95.9116 -35.787 95.9129 -239.999 GPRESSURE: 2366600 295.434 13.4661 -35.9174 -52.2635 142.694 25.2922 -64.051 60.4788 -225.339 PRESSAVG: 2366600 52.9594 -13.3732 3.54158 -13.3732 -83.9182 17.1236 3.54152 17.1236 3.4104 GPRESSAVG: 2366600 52.5053 -14.7944 5.28026 -15.0138 -84.4869 17.4744 1.5038 16.7716 4.49534 TIMING: 2366600 CPU: 6867.4, 0.00291477/step Wall: 6867.4, 0.00291477/step, 2.13215 hours remaining, 205.578125 MB of memory in use. ENERGY: 2366600 744.3422 2084.5379 1959.5606 112.7888 -206213.8958 17772.5977 0.0000 0.0000 34603.7539 -148936.3148 302.2032 -183540.0686 -148845.7532 300.1850 33.5145 70.9297 556025.5649 -9.1828 -9.1621 PRESSURE: 2366800 58.8436 22.1601 -20.2247 22.1614 -201.367 31.4796 -20.2252 31.4802 76.9569 GPRESSURE: 2366800 96.6839 19.0884 -20.4772 94.3244 -149.497 58.2527 15.2892 15.5017 92.4368 PRESSAVG: 2366800 12.127 22.8259 17.3941 22.8259 58.1057 -50.8591 17.394 -50.8592 -84.1468 GPRESSAVG: 2366800 11.7885 23.98 16.9297 23.9188 58.3089 -50.7027 19.2648 -50.823 -84.0228 TIMING: 2366800 CPU: 6867.98, 0.00290035/step Wall: 6867.98, 0.00290035/step, 2.12144 hours remaining, 205.578125 MB of memory in use. ENERGY: 2366800 752.8682 2078.7237 1991.7760 122.0780 -205937.3932 17772.0017 0.0000 0.0000 34277.4504 -148942.4951 299.3535 -183219.9455 -148849.1960 299.8037 -21.8555 13.2079 557543.7044 -4.6380 -4.6418 PRESSURE: 2367000 -179.887 -58.6976 14.5362 -58.6981 -74.2089 15.945 14.5352 15.946 -151.7 GPRESSURE: 2367000 -155.372 -12.4334 73.823 -4.3661 -50.5947 -12.8637 0.717925 15.4551 -93.9003 PRESSAVG: 2367000 -7.98987 7.97755 -10.1506 7.97753 20.1834 -10.0006 -10.1506 -10.0006 28.172 GPRESSAVG: 2367000 -8.71482 8.2294 -8.7941 7.93247 21.3338 -9.40376 -9.71432 -11.5208 27.7952 TIMING: 2367000 CPU: 6868.56, 0.00287199/step Wall: 6868.56, 0.00287199/step, 2.10054 hours remaining, 205.820312 MB of memory in use. ENERGY: 2367000 719.1826 2111.7839 1999.5493 120.6092 -206005.3156 17605.1573 0.0000 0.0000 34432.0129 -149017.0205 300.7033 -183449.0334 -148921.6395 300.2076 -135.2654 -99.9557 558355.0967 13.4552 13.4714 PRESSURE: 2367200 51.0599 -87.936 42.951 -87.9348 -70.2 -57.355 42.9512 -57.3545 49.1512 GPRESSURE: 2367200 61.7669 -60.6428 35.6977 -14.9477 -29.6865 15.0664 76.2042 -99.6153 105.709 PRESSAVG: 2367200 28.268 -56.0102 -9.79208 -56.0102 -33.1409 -3.39121 -9.79206 -3.39126 -17.1726 GPRESSAVG: 2367200 29.3252 -55.0985 -10.3488 -55.7638 -33.7026 -5.91171 -10.0395 -1.76224 -17.4226 TIMING: 2367200 CPU: 6869.13, 0.00289154/step Wall: 6869.13, 0.00289154/step, 2.11468 hours remaining, 205.820312 MB of memory in use. ENERGY: 2367200 770.1982 2078.6276 1961.2705 115.3246 -206158.9420 17811.1135 0.0000 0.0000 34524.2776 -148898.1300 301.5091 -183422.4076 -148802.1890 299.7422 10.0037 45.9298 556783.8234 -7.3485 -7.2667 PRESSURE: 2367400 -71.525 35.5118 63.3477 35.5122 -65.8039 -133.578 63.3479 -133.577 -176.044 GPRESSURE: 2367400 49.8865 -33.4532 48.6072 73.139 -71.1261 -116.812 58.2257 -99.4978 -199.363 PRESSAVG: 2367400 50.2894 -11.8187 6.98088 -11.8187 -71.0748 -12.5278 6.98085 -12.5277 33.8279 GPRESSAVG: 2367400 48.5186 -14.4956 7.05046 -13.0156 -70.9771 -11.0223 7.11316 -10.6337 35.1536 TIMING: 2367400 CPU: 6869.72, 0.0029064/step Wall: 6869.72, 0.0029064/step, 2.12539 hours remaining, 205.820312 MB of memory in use. ENERGY: 2367400 798.2233 2083.3882 1947.4484 112.4759 -205972.2643 17769.8407 0.0000 0.0000 34345.5502 -148915.3376 299.9482 -183260.8878 -148815.9848 300.3571 -104.4578 -73.5341 558783.5586 4.3475 4.2317 PRESSURE: 2367600 161.055 -55.8237 -14.5825 -55.8251 26.8267 -39.9475 -14.5812 -39.9475 -68.0556 GPRESSURE: 2367600 169.664 14.2808 -106.46 -54.5184 94.0554 -4.99411 -33.3233 -31.5726 -43.0269 PRESSAVG: 2367600 60.9958 -17.9492 -5.54972 -17.9491 0.382249 -42.1768 -5.54975 -42.1769 -42.3738 GPRESSAVG: 2367600 61.4052 -17.7708 -6.31623 -19.2339 0.063283 -41.0085 -5.80844 -43.5214 -41.8606 TIMING: 2367600 CPU: 6870.29, 0.00289176/step Wall: 6870.29, 0.00289176/step, 2.11452 hours remaining, 205.820312 MB of memory in use. ENERGY: 2367600 736.9858 2095.9376 1986.7014 113.3150 -205877.3285 17717.5226 0.0000 0.0000 34358.8615 -148868.0046 300.0645 -183226.8661 -148768.6735 299.7577 39.9421 73.5640 557774.9051 6.3348 6.5360 PRESSURE: 2367800 135.468 -178.721 -130.45 -178.722 -228.454 -76.5957 -130.45 -76.5956 26.2259 GPRESSURE: 2367800 153.081 -175.84 -167.917 -187.003 -173.29 -146.593 -66.0937 62.8682 54.0357 PRESSAVG: 2367800 -7.28748 -6.46894 -32.4298 -6.46898 20.0626 -14.0575 -32.4298 -14.0576 -0.332004 GPRESSAVG: 2367800 -6.29651 -5.46552 -32.5755 -5.77016 21.1891 -14.3307 -32.6361 -12.9314 -2.04142 TIMING: 2367800 CPU: 6870.88, 0.00291839/step Wall: 6870.88, 0.00291839/step, 2.13383 hours remaining, 205.820312 MB of memory in use. ENERGY: 2367800 744.3237 2106.3482 1974.2197 110.7070 -205683.4331 17619.8911 0.0000 0.0000 34199.4946 -148928.4487 298.6727 -183127.9434 -148831.8147 300.0945 -22.2531 11.2756 558586.3158 4.1477 4.2837 PRESSURE: 2368000 -46.3452 -162.567 -102.881 -162.566 77.6453 -121.864 -102.881 -121.864 -62.9078 GPRESSURE: 2368000 -1.07942 -188.655 -111.909 -169.48 73.622 -85.0848 -152.248 -151.023 -4.81223 PRESSAVG: 2368000 64.0443 -9.31888 -52.3148 -9.31883 0.962156 -29.4572 -52.3148 -29.4572 -54.534 GPRESSAVG: 2368000 62.3564 -10.9385 -51.1278 -8.31009 0.718693 -29.7369 -53.2107 -30.9596 -52.7727 TIMING: 2368000 CPU: 6871.46, 0.00291095/step Wall: 6871.46, 0.00291095/step, 2.12822 hours remaining, 205.820312 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: 2368000 771.3564 2097.1648 1957.1398 108.8124 -206162.1515 17892.0833 0.0000 0.0000 34354.0363 -148981.5584 300.0223 -183335.5947 -148889.6596 299.0638 -10.5359 22.5768 557583.4006 3.4908 3.4341 PRESSURE: 2368200 -35.7326 23.28 68.3634 23.2818 46.5505 -166.717 68.3631 -166.718 -104.605 GPRESSURE: 2368200 6.44406 -62.6268 78.1033 85.1236 59.3665 -58.7668 66.6451 -227.042 -58.8421 PRESSAVG: 2368200 56.4425 31.352 3.94828 31.3519 -6.52711 -17.2132 3.94826 -17.2132 -58.5992 GPRESSAVG: 2368200 56.7394 32.8663 3.96035 32.0147 -6.44024 -17.5327 4.31547 -16.4862 -58.1277 TIMING: 2368200 CPU: 6872.04, 0.00291332/step Wall: 6872.04, 0.00291332/step, 2.1298 hours remaining, 205.820312 MB of memory in use. ENERGY: 2368200 750.0107 2092.4401 1936.5954 106.5253 -206106.6794 17898.8950 0.0000 0.0000 34424.3101 -148897.9028 300.6361 -183322.2129 -148798.0137 299.6826 -31.2622 2.3228 557922.7946 -2.8946 -2.6095 LDB: ============= START OF LOAD BALANCING ============== 6875.51 LDB: ============== END OF LOAD BALANCING =============== 6875.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6875.51 LDB: ============= START OF LOAD BALANCING ============== 6875.81 LDB: Largest compute 4821 load 0.030540 is 26.0% of average load 0.117668 LDB: Average compute 0.001741 is 1.5% of average load 0.117668 LDB: TIME 6875.81 LOAD: AVG 0.117668 MAX 0.177793 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 6875.81 LOAD: AVG 0.117668 MAX 0.177793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 6875.81 LOAD: AVG 0.117668 MAX 0.177793 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6875.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6875.82 PRESSURE: 2368400 -70.0883 -208.71 -26.6619 -208.71 15.1625 24.5668 -26.6627 24.5672 69.1593 GPRESSURE: 2368400 -27.0242 -252.667 -66.6955 -129.23 41.5591 39.2351 21.556 56.3764 85.3776 PRESSAVG: 2368400 -39.7998 -22.6628 9.78174 -22.6628 3.42407 0.791828 9.78173 0.791911 -13.3929 GPRESSAVG: 2368400 -38.5072 -23.3273 9.17294 -22.8053 4.20779 1.17993 10.5746 -0.518073 -15.5363 TIMING: 2368400 CPU: 6872.64, 0.00298961/step Wall: 6872.64, 0.00298961/step, 2.1854 hours remaining, 206.503906 MB of memory in use. ENERGY: 2368400 731.4954 2155.1877 1938.5133 110.3802 -206014.7887 17778.1947 0.0000 0.0000 34482.1050 -148818.9123 301.1408 -183301.0173 -148720.7266 300.0089 4.7445 33.3042 557600.8450 -16.5895 -16.6119 PRESSURE: 2368600 -39.8086 117.337 -108.259 117.337 311.03 19.3777 -108.258 19.379 19.9616 GPRESSURE: 2368600 -5.01265 203.325 -105.082 27.3522 370.323 4.71328 -66.9937 39.9224 24.6163 PRESSAVG: 2368600 32.5206 -26.2163 -63.7154 -26.2162 -7.34384 -44.2189 -63.7154 -44.2189 -17.8983 GPRESSAVG: 2368600 31.9586 -25.3636 -63.7315 -25.2841 -7.98759 -44.0769 -64.458 -42.5815 -17.101 TIMING: 2368600 CPU: 6873.23, 0.00292842/step Wall: 6873.23, 0.00292842/step, 2.14051 hours remaining, 206.707031 MB of memory in use. ENERGY: 2368600 710.1631 2082.5391 1950.0886 103.7403 -206039.3406 17934.0126 0.0000 0.0000 34351.4400 -148907.3569 299.9997 -183258.7969 -148811.5956 300.2522 97.0610 129.9755 557461.4483 2.4262 2.2900 PRESSURE: 2368800 -21.4389 59.9237 95.4014 59.9241 54.9234 30.5463 95.4013 30.5467 -113.652 GPRESSURE: 2368800 31.1441 9.67588 56.9423 62.1691 52.7795 32.5545 90.6717 54.875 -73.0437 PRESSAVG: 2368800 11.1084 30.3093 10.2275 30.3094 40.4766 -36.2336 10.2275 -36.2336 -41.5637 GPRESSAVG: 2368800 12.0015 29.2167 10.7761 28.8363 39.5294 -37.386 9.52622 -36.9038 -41.8466 TIMING: 2368800 CPU: 6873.81, 0.00290724/step Wall: 6873.81, 0.00290724/step, 2.12487 hours remaining, 206.707031 MB of memory in use. ENERGY: 2368800 756.8592 2098.3366 1949.3286 104.7409 -205836.2273 17667.3863 0.0000 0.0000 34367.3529 -148892.2228 300.1386 -183259.5757 -148796.6849 300.8043 -26.7224 3.6266 556659.9515 3.3404 3.2281 PRESSURE: 2369000 151.514 133.17 -12.7291 133.17 274.851 -91.1317 -12.7294 -91.1323 -11.1905 GPRESSURE: 2369000 169.096 83.4302 20.6583 162.092 302.151 -136.251 -141.246 -120.573 42.1941 PRESSAVG: 2369000 -34.3894 22.2394 31.0583 22.2395 23.9682 20.5658 31.0583 20.5658 -7.21289 GPRESSAVG: 2369000 -34.6116 22.1628 30.5516 20.7143 24.5487 21.6254 32.1295 19.2033 -7.52277 TIMING: 2369000 CPU: 6874.39, 0.00291645/step Wall: 6874.39, 0.00291645/step, 2.13144 hours remaining, 206.707031 MB of memory in use. ENERGY: 2369000 747.8819 2114.6511 1934.7253 107.4310 -206238.7315 18063.0612 0.0000 0.0000 34427.3105 -148843.6705 300.6623 -183270.9810 -148750.0005 300.6437 138.3913 171.1469 556648.3530 -5.8780 -5.8619 PRESSURE: 2369200 42.1411 -5.07009 -114.495 -5.06975 89.467 153.951 -114.495 153.952 68.5158 GPRESSURE: 2369200 58.4631 -69.7337 -200.571 81.135 113.544 164.845 -62.3646 174.237 120.689 PRESSAVG: 2369200 20.2013 15.4561 19.845 15.456 -34.5445 0.0647791 19.8451 0.0647741 26.7535 GPRESSAVG: 2369200 20.308 15.9471 20.3838 13.7713 -35.4313 -1.27943 19.7266 0.399408 27.4002 TIMING: 2369200 CPU: 6874.97, 0.00290327/step Wall: 6874.97, 0.00290327/step, 2.12165 hours remaining, 206.707031 MB of memory in use. ENERGY: 2369200 737.5861 2088.5537 1987.5686 112.0338 -206131.2251 17775.8290 0.0000 0.0000 34402.1050 -149027.5488 300.4421 -183429.6538 -148929.9133 299.9958 66.7080 97.5654 556882.3306 4.1368 4.0923 PRESSURE: 2369400 -30.8103 -76.1887 5.08036 -76.1888 177.841 -124.589 5.0797 -124.589 -122.585 GPRESSURE: 2369400 -5.65891 -83.9674 25.4598 -1.59237 204.776 -108.087 -6.12251 -80.2391 -83.1084 PRESSAVG: 2369400 -35.8957 9.25176 -34.6621 9.25164 27.3089 58.1954 -34.6621 58.1955 29.403 GPRESSAVG: 2369400 -35.2905 9.31636 -36.7195 11.3389 27.0741 56.958 -33.7283 58.4317 28.6033 TIMING: 2369400 CPU: 6875.55, 0.00290247/step Wall: 6875.55, 0.00290247/step, 2.1209 hours remaining, 206.707031 MB of memory in use. ENERGY: 2369400 735.5852 2110.1992 1984.8623 115.7788 -206032.3426 17669.0668 0.0000 0.0000 34384.8502 -149032.0001 300.2914 -183416.8504 -148936.7808 300.0524 8.1488 38.6695 558017.0169 6.9387 6.7956 PRESSURE: 2369600 -54.8196 -11.7314 -137.914 -11.7325 -41.2345 -34.5764 -137.914 -34.5757 48.7958 GPRESSURE: 2369600 -1.47667 33.9325 -79.3596 -42.9027 -9.2086 -103.479 -136.291 78.9505 49.5534 PRESSAVG: 2369600 -43.1614 33.2326 -34.64 33.2324 31.4521 -34.0169 -34.64 -34.0169 -0.649289 GPRESSAVG: 2369600 -44.0193 33.2462 -30.4933 33.1302 32.4635 -30.9079 -36.2259 -34.0575 -0.685495 TIMING: 2369600 CPU: 6876.13, 0.00289575/step Wall: 6876.13, 0.00289575/step, 2.11583 hours remaining, 206.707031 MB of memory in use. ENERGY: 2369600 756.6838 2119.0241 1974.3535 118.3836 -205949.1123 17690.2995 0.0000 0.0000 34301.9528 -148988.4150 299.5675 -183290.3679 -148886.9351 299.9615 -15.7528 12.9561 558992.9388 -4.1195 -4.0804 PRESSURE: 2369800 33.2323 96.5839 175.987 96.5847 -324.5 76.7109 175.987 76.71 -456.091 GPRESSURE: 2369800 70.6141 86.6957 104.272 -5.50728 -284.689 22.8835 181.823 160.704 -434.321 PRESSAVG: 2369800 -3.89565 19.2785 55.0796 19.2785 12.2351 -38.7735 55.0796 -38.7735 7.76703 GPRESSAVG: 2369800 -3.43229 19.3455 52.5073 19.3586 12.0214 -40.5219 57.1748 -37.3056 7.6341 TIMING: 2369800 CPU: 6876.71, 0.00290875/step Wall: 6876.71, 0.00290875/step, 2.12516 hours remaining, 206.707031 MB of memory in use. ENERGY: 2369800 744.8219 2086.7098 1967.4802 106.1987 -205937.4631 17605.7941 0.0000 0.0000 34370.5685 -149055.8899 300.1667 -183426.4583 -148957.7779 299.8713 -249.1194 -216.1319 559114.1030 5.3688 5.4077 PRESSURE: 2370000 -397.105 -37.1175 -131.078 -37.1163 92.3148 63.8441 -131.077 63.8427 -166.269 GPRESSURE: 2370000 -344.095 -31.0708 -100.91 2.62339 112.801 64.1276 -102.645 26.9848 -146.021 PRESSAVG: 2370000 -3.96127 -15.9489 33.6386 -15.9489 92.1996 -28.6249 33.6386 -28.6248 -103.922 GPRESSAVG: 2370000 -5.03779 -15.9768 33.9918 -13.7695 93.3216 -26.4119 30.8752 -30.0491 -104.153 TIMING: 2370000 CPU: 6877.29, 0.00290593/step Wall: 6877.29, 0.00290593/step, 2.12294 hours remaining, 206.707031 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: 2370000 766.4849 2081.9565 1957.4301 100.2950 -205646.6406 17515.4559 0.0000 0.0000 34339.8466 -148885.1715 299.8984 -183225.0182 -148785.3047 300.3991 -157.0197 -125.7716 559984.2365 -5.2278 -5.2898 PRESSURE: 2370200 1.75899 -30.9557 -62.8352 -30.9549 90.1439 -86.7072 -62.8347 -86.7077 -34.8073 GPRESSURE: 2370200 32.7729 -90.901 -74.2952 31.0134 99.3808 -165.8 -111.474 -44.3254 6.83863 PRESSAVG: 2370200 -30.0549 37.4537 14.9218 37.4537 22.1133 -0.839275 14.9218 -0.839226 4.48565 GPRESSAVG: 2370200 -29.6722 39.1739 14.6333 38.2056 21.1791 -0.893595 17.5414 -2.71067 5.29216 TIMING: 2370200 CPU: 6877.88, 0.00291196/step Wall: 6877.88, 0.00291196/step, 2.12719 hours remaining, 206.707031 MB of memory in use. ENERGY: 2370200 728.3453 2071.4826 1949.4887 96.0796 -205844.7166 17650.2450 0.0000 0.0000 34436.5239 -148912.5514 300.7427 -183349.0753 -148810.4689 299.5817 19.0319 46.3308 558913.8023 -1.1520 -1.0670 PRESSURE: 2370400 -179.198 -68.4577 96.5502 -68.4565 -38.9293 79.081 96.5511 79.0832 -54.0464 GPRESSURE: 2370400 -124.78 -72.8903 29.8262 -53.2388 -53.4859 49.1814 109.933 11.2271 7.39905 PRESSAVG: 2370400 -16.9533 15.3712 -18.6861 15.3712 -6.34419 20.8694 -18.686 20.8694 20.6717 GPRESSAVG: 2370400 -16.4004 12.6928 -19.5304 12.9072 -7.47721 20.5407 -19.0042 23.5063 21.4069 TIMING: 2370400 CPU: 6878.46, 0.00291318/step Wall: 6878.46, 0.00291318/step, 2.12792 hours remaining, 206.707031 MB of memory in use. ENERGY: 2370400 754.1876 2083.3410 1988.9932 113.0937 -205486.2451 17679.3153 0.0000 0.0000 34101.4951 -148765.8193 297.8168 -182867.3143 -148670.6604 299.6902 -90.7246 -56.9556 559668.3256 -0.8753 -0.8236 PRESSURE: 2370600 -190.052 -136.374 86.3848 -136.375 -137.042 132.05 86.3854 132.051 -61.7356 GPRESSURE: 2370600 -154.738 -190.862 101.998 -226.99 -95.426 28.3912 61.0907 169.843 -49.9266 PRESSAVG: 2370600 -76.3993 14.3716 35.679 14.3717 -3.48401 -9.63754 35.679 -9.63766 78.7907 GPRESSAVG: 2370600 -76.0759 14.3398 37.0404 16.4547 -2.29876 -9.59063 34.0373 -10.8177 76.7567 TIMING: 2370600 CPU: 6879.04, 0.00289993/step Wall: 6879.04, 0.00289993/step, 2.11808 hours remaining, 206.707031 MB of memory in use. ENERGY: 2370600 743.2800 2083.8010 1970.1390 110.8274 -205189.3123 17312.3475 0.0000 0.0000 34082.2318 -148886.6856 297.6486 -182968.9174 -148782.6919 299.5986 -129.6099 -100.0302 559035.2602 -0.3642 -0.5393 PRESSURE: 2370800 -26.6679 168.421 68.0505 168.422 -116.192 63.9158 68.0514 63.9155 -35.8569 GPRESSURE: 2370800 -5.60185 171.911 90.5129 226.507 -42.871 19.2692 49.263 111.989 -25.4701 PRESSAVG: 2370800 -3.06531 -25.702 7.20398 -25.702 -23.0807 37.4406 7.20389 37.4406 32.7711 GPRESSAVG: 2370800 -4.69298 -24.7134 6.50847 -27.0424 -22.0649 36.5205 8.16824 38.0693 33.8816 TIMING: 2370800 CPU: 6879.62, 0.00292217/step Wall: 6879.62, 0.00292217/step, 2.13416 hours remaining, 206.707031 MB of memory in use. ENERGY: 2370800 742.5996 2072.8155 1957.0874 111.2916 -205969.6103 17794.0852 0.0000 0.0000 34524.8864 -148766.8446 301.5144 -183291.7310 -148678.2284 299.8975 -59.5723 -24.6477 558781.5672 2.2084 2.3746 PRESSURE: 2371000 -57.1395 -108.534 -44.2257 -108.534 21.4328 -78.7911 -44.2244 -78.7908 48.8669 GPRESSURE: 2371000 34.6433 -103.693 -116.718 -63.5224 -6.39651 -100.414 24.2043 -102.515 76.4782 PRESSAVG: 2371000 11.2891 -2.75081 -55.625 -2.7508 -17.1706 3.72499 -55.6249 3.72496 57.4082 GPRESSAVG: 2371000 11.8636 -3.91315 -53.4085 -2.07082 -18.1243 4.84611 -56.7071 2.78096 57.923 TIMING: 2371000 CPU: 6880.21, 0.00291806/step Wall: 6880.21, 0.00291806/step, 2.13099 hours remaining, 206.707031 MB of memory in use. ENERGY: 2371000 762.4337 2062.3547 1951.7172 105.9444 -205826.8886 17706.0202 0.0000 0.0000 34425.3846 -148813.0337 300.6454 -183238.4183 -148715.2039 300.4592 4.3867 34.9083 557052.2562 17.1756 17.2208 PRESSURE: 2371200 119.572 38.9932 30.3324 38.9924 95.7117 57.7923 30.3328 57.7942 -50.0542 GPRESSURE: 2371200 140.831 76.0878 -8.68448 50.1318 132.05 -3.81116 88.8639 47.306 1.00049 PRESSAVG: 2371200 33.4864 -11.9463 21.4814 -11.9463 -53.4846 21.4192 21.4814 21.4192 14.9903 GPRESSAVG: 2371200 32.7446 -10.7613 19.3084 -12.1257 -53.4124 20.3099 23.4193 21.808 15.6978 TIMING: 2371200 CPU: 6880.79, 0.00290756/step Wall: 6880.79, 0.00290756/step, 2.12316 hours remaining, 206.707031 MB of memory in use. ENERGY: 2371200 737.7183 2116.5432 1964.0837 109.9945 -205831.2621 17885.5689 0.0000 0.0000 34300.2200 -148717.1336 299.5524 -183017.3535 -148620.8081 300.7123 55.0765 91.2937 557640.3523 -1.6693 -1.6567 PRESSURE: 2371400 96.6892 125.373 60.9507 125.373 103.232 -40.7574 60.9512 -40.7583 210.37 GPRESSURE: 2371400 104.347 171.263 35.698 135.62 124.121 22.5185 24.9059 -83.4231 278.213 PRESSAVG: 2371400 -23.5875 45.1251 -20.2822 45.1251 10.2225 -11.8762 -20.2822 -11.8762 35.7757 GPRESSAVG: 2371400 -22.8618 44.8507 -20.8359 45.0621 10.5546 -13.448 -22.6643 -10.4427 34.9013 TIMING: 2371400 CPU: 6881.37, 0.00289288/step Wall: 6881.37, 0.00289288/step, 2.11229 hours remaining, 206.707031 MB of memory in use. ENERGY: 2371400 725.6255 2166.3697 1968.9648 119.8231 -206213.2571 17956.5493 0.0000 0.0000 34395.3270 -148880.5977 300.3829 -183275.9247 -148784.4501 300.4870 136.7636 168.8933 556326.2179 7.4702 7.5314 PRESSURE: 2371600 -49.0165 97.4463 -4.79877 97.4451 111.378 28.6697 -4.80045 28.67 177.782 GPRESSURE: 2371600 24.4247 91.3845 -3.08981 58.9469 88.451 -2.29655 -50.8582 151.775 231.66 PRESSAVG: 2371600 -49.1024 2.94546 -28.4867 2.94537 2.51461 13.5218 -28.4867 13.5219 20.1254 GPRESSAVG: 2371600 -48.5507 3.0546 -27.6806 2.85028 2.48752 14.5198 -26.7398 13.094 19.5304 TIMING: 2371600 CPU: 6881.95, 0.0029182/step Wall: 6881.95, 0.0029182/step, 2.13061 hours remaining, 206.707031 MB of memory in use. ENERGY: 2371600 703.9421 2136.5852 1955.3992 98.3800 -205550.0423 17439.0570 0.0000 0.0000 34226.7079 -148989.9710 298.9104 -183216.6789 -148898.5521 299.4910 80.0479 114.8452 556511.9373 -8.8208 -8.8442 PRESSURE: 2371800 33.2094 81.7229 91.3766 81.7229 6.06346 -6.046 91.3774 -6.04594 -3.83363 GPRESSURE: 2371800 89.3466 168.093 36.6469 76.6968 28.874 -50.005 45.7009 -61.3124 11.4698 PRESSAVG: 2371800 -37.9512 -17.2834 41.0649 -17.2833 -27.0761 11.5547 41.0649 11.5546 72.9978 GPRESSAVG: 2371800 -38.4287 -16.9402 41.6011 -16.7621 -27.5787 10.9781 41.1837 11.6582 74.0568 TIMING: 2371800 CPU: 6882.54, 0.00291967/step Wall: 6882.54, 0.00291967/step, 2.13152 hours remaining, 206.707031 MB of memory in use. ENERGY: 2371800 719.2725 2133.3235 1966.5604 114.5049 -205788.3263 17768.6680 0.0000 0.0000 34104.3976 -148981.5993 297.8422 -183085.9969 -148879.0657 299.3036 11.8131 43.2301 558352.1802 2.6568 2.6831 PRESSURE: 2372000 0.150987 39.6967 -8.63796 39.6956 -26.897 67.1741 -8.63835 67.1731 -247.287 GPRESSURE: 2372000 54.3589 -60.6065 -45.7951 3.4498 -4.25721 90.5334 31.8557 37.2698 -228.237 PRESSAVG: 2372000 7.16949 37.9938 14.3515 37.9939 -8.56481 21.0506 14.3514 21.0505 32.1406 GPRESSAVG: 2372000 8.82807 38.4006 15.9659 36.367 -8.79039 21.3422 11.6054 21.8648 30.8875 TIMING: 2372000 CPU: 6883.12, 0.00291357/step Wall: 6883.12, 0.00291357/step, 2.1269 hours remaining, 206.707031 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: 2372000 746.1655 2122.2693 1951.3378 107.4648 -205791.2055 17584.1218 0.0000 0.0000 34133.5891 -149146.2573 298.0971 -183279.8463 -149052.6356 299.4372 -91.3444 -59.3784 556796.3398 10.2484 10.3084 PRESSURE: 2372200 -73.8667 34.8974 -56.1834 34.8969 81.5512 190.842 -56.183 190.841 -47.2071 GPRESSURE: 2372200 -47.0626 -30.7788 -130.307 -13.4126 90.7516 182.574 9.04941 212.677 20.7533 PRESSAVG: 2372200 60.2337 15.7839 22.1781 15.7838 28.8441 26.1818 22.178 26.1818 -81.4953 GPRESSAVG: 2372200 59.8762 12.9293 20.9795 18.7914 28.8957 26.487 23.6656 26.2707 -81.2831 TIMING: 2372200 CPU: 6883.71, 0.00296519/step Wall: 6883.71, 0.00296519/step, 2.16443 hours remaining, 206.707031 MB of memory in use. ENERGY: 2372200 744.8950 2090.4458 1962.7127 119.2112 -206044.1634 17778.5762 0.0000 0.0000 34165.8172 -149182.5054 298.3786 -183348.3226 -149083.0536 299.3141 -13.1742 21.4808 556565.7684 2.5275 2.4963 LDB: ============= START OF LOAD BALANCING ============== 6887.18 LDB: ============== END OF LOAD BALANCING =============== 6887.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6887.18 LDB: ============= START OF LOAD BALANCING ============== 6887.48 LDB: Largest compute 4821 load 0.031290 is 26.6% of average load 0.117725 LDB: Average compute 0.001735 is 1.5% of average load 0.117725 LDB: TIME 6887.48 LOAD: AVG 0.117725 MAX 0.178541 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 6887.48 LOAD: AVG 0.117725 MAX 0.178541 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 6887.48 LOAD: AVG 0.117725 MAX 0.178541 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6887.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6887.49 PRESSURE: 2372400 143.162 -96.6634 -52.607 -96.6644 -168.294 180.222 -52.6079 180.225 48.5159 GPRESSURE: 2372400 151.347 -77.1293 -183.506 -180.156 -79.5837 100.335 -25.1925 170.504 55.9133 PRESSAVG: 2372400 75.5341 -19.0677 -11.7485 -19.0677 -54.0593 -20.1071 -11.7485 -20.1069 1.36363 GPRESSAVG: 2372400 74.9991 -18.0804 -12.3859 -20.5667 -53.9841 -21.8187 -10.5438 -21.232 2.11894 TIMING: 2372400 CPU: 6884.31, 0.00299506/step Wall: 6884.31, 0.00299506/step, 2.18606 hours remaining, 205.164062 MB of memory in use. ENERGY: 2372400 706.0834 2153.0958 1932.6241 121.5941 -205930.2775 17794.3819 0.0000 0.0000 34053.8109 -149168.6874 297.4004 -183222.4983 -149071.8071 299.0324 7.7948 42.5588 557119.0417 7.6128 7.7113 PRESSURE: 2372600 65.3193 -52.1348 37.1792 -52.1364 146.668 128.085 37.1797 128.085 43.1907 GPRESSURE: 2372600 177.967 -29.5106 17.632 -89.2119 134.728 164.815 102.099 -7.97173 40.6546 PRESSAVG: 2372600 59.8788 -33.1326 -30.4114 -33.1326 -63.7354 14.0721 -30.4114 14.072 14.4823 GPRESSAVG: 2372600 59.7979 -33.6755 -29.8354 -32.4379 -63.9371 15.4513 -31.6486 13.3867 15.0026 TIMING: 2372600 CPU: 6884.9, 0.0029292/step Wall: 6884.9, 0.0029292/step, 2.13783 hours remaining, 205.308594 MB of memory in use. ENERGY: 2372600 731.8724 2125.7949 1963.3687 109.3679 -206267.9779 17905.8991 0.0000 0.0000 34282.4405 -149149.2346 299.3971 -183431.6751 -149049.5659 300.0561 85.0594 117.7830 556351.8126 3.5419 3.6211 PRESSURE: 2372800 -139.147 -107.838 -64.744 -107.839 116.759 -46.5404 -64.7435 -46.5412 -304.512 GPRESSURE: 2372800 -108.649 -61.6834 -120.84 -116.166 109.14 24.2059 -8.42559 5.02471 -226.162 PRESSAVG: 2372800 22.3761 -48.4557 3.5426 -48.4556 9.39008 -14.3361 3.54258 -14.3361 -21.5758 GPRESSAVG: 2372800 23.6503 -46.2588 3.12046 -50.27 8.84886 -13.4287 4.35173 -13.4619 -22.6743 TIMING: 2372800 CPU: 6885.48, 0.00293243/step Wall: 6885.48, 0.00293243/step, 2.14002 hours remaining, 205.308594 MB of memory in use. ENERGY: 2372800 725.2573 2098.1471 1962.6117 108.9450 -206365.9132 17712.9346 0.0000 0.0000 34612.3614 -149145.6560 302.2784 -183758.0174 -149050.2988 300.4734 -108.9666 -75.2238 558208.3238 3.3968 3.2749 PRESSURE: 2373000 67.4456 40.4407 -106.892 40.4407 152.738 -9.77699 -106.892 -9.77902 -55.6122 GPRESSURE: 2373000 60.6589 35.8022 -140.376 -42.9249 239.171 29.5587 -77.6492 -62.1543 -26.0669 PRESSAVG: 2373000 -4.50943 -30.8831 1.86864 -30.8831 19.6983 -36.6884 1.86861 -36.6884 -23.7611 GPRESSAVG: 2373000 -6.00795 -33.5267 0.733809 -30.7904 19.8 -38.7291 2.95777 -35.8211 -22.8364 TIMING: 2373000 CPU: 6886.07, 0.00292595/step Wall: 6886.07, 0.00292595/step, 2.13513 hours remaining, 205.308594 MB of memory in use. ENERGY: 2373000 759.6483 2090.6697 1968.1838 121.0572 -206228.8891 17953.1803 0.0000 0.0000 34364.7394 -148971.4104 300.1158 -183336.1499 -148872.1418 299.7824 54.8573 91.2544 558669.4444 -2.8574 -3.0148 PRESSURE: 2373200 20.3607 7.0746 2.06874 7.07576 -265.318 -71.8282 2.06947 -71.8297 -21.6722 GPRESSURE: 2373200 49.0856 -4.338 -1.23252 -15.3734 -185.097 -100.221 82.2005 -60.259 -36.9895 PRESSAVG: 2373200 -14.9179 -16 38.6154 -16 8.26118 -47.3968 38.6154 -47.3969 26.4408 GPRESSAVG: 2373200 -14.6168 -16.3921 39.3887 -15.8338 9.60897 -44.6635 36.7432 -48.6327 24.7532 TIMING: 2373200 CPU: 6886.65, 0.00291781/step Wall: 6886.65, 0.00291781/step, 2.12903 hours remaining, 205.308594 MB of memory in use. ENERGY: 2373200 713.1230 2077.1698 1969.4298 106.9986 -205829.4080 17614.7020 0.0000 0.0000 34273.4156 -149074.5693 299.3183 -183347.9849 -148984.7801 300.1664 -88.8763 -57.6670 558045.1416 6.5947 6.5818 PRESSURE: 2373400 -216.618 139.357 -45.6156 139.356 -319.82 62.4864 -45.6143 62.4876 -17.9446 GPRESSURE: 2373400 -201.353 82.0632 -148.503 151.43 -264.66 123.983 -20.3836 72.6298 9.36391 PRESSAVG: 2373400 13.3022 -27.371 18.5006 -27.371 -81.4834 -27.1491 18.5007 -27.1492 28.8864 GPRESSAVG: 2373400 13.7734 -26.4261 19.1188 -25.0211 -82.2452 -28.767 18.2862 -26.6283 29.3111 TIMING: 2373400 CPU: 6887.23, 0.0029132/step Wall: 6887.23, 0.0029132/step, 2.1255 hours remaining, 205.308594 MB of memory in use. ENERGY: 2373400 754.7678 2135.7709 1962.9413 104.0269 -206130.8517 17699.7479 0.0000 0.0000 34271.8592 -149201.7376 299.3047 -183473.5968 -149110.0252 298.8631 -184.7941 -152.2164 557879.0153 -13.0983 -13.0535 PRESSURE: 2373600 -69.226 65.5228 -129.132 65.523 -237.633 104.45 -129.133 104.45 27.8012 GPRESSURE: 2373600 -36.6034 115.761 -218.205 75.6775 -156.67 113.323 -66.4882 185.761 23.4343 PRESSAVG: 2373600 73.0636 22.5974 49.0152 22.5974 -61.8669 -35.1129 49.0152 -35.1129 21.3756 GPRESSAVG: 2373600 72.3393 21.2991 49.3145 23.0103 -61.5626 -33.8524 48.9375 -36.9077 21.5885 TIMING: 2373600 CPU: 6887.82, 0.00291847/step Wall: 6887.82, 0.00291847/step, 2.12919 hours remaining, 205.308594 MB of memory in use. ENERGY: 2373600 767.0854 2041.9950 1968.1988 111.2795 -206120.9621 17786.8539 0.0000 0.0000 34289.9853 -149155.5641 299.4630 -183445.5494 -149061.6082 299.0599 -93.0191 -56.6129 559203.0524 10.8574 10.7884 PRESSURE: 2373800 -27.7128 35.52 106.15 35.5197 74.4172 51.5365 106.151 51.5368 -224.1 GPRESSURE: 2373800 36.4619 47.2078 80.562 -54.4508 101.967 67.6595 105.058 97.1956 -221.219 PRESSAVG: 2373800 -30.1692 -1.6629 33.5008 -1.66287 15.4411 -9.96247 33.5008 -9.96233 -28.6455 GPRESSAVG: 2373800 -29.3092 0.220917 32.4857 -4.43753 15.2979 -9.34941 33.98 -8.35302 -29.6492 TIMING: 2373800 CPU: 6888.4, 0.00293486/step Wall: 6888.4, 0.00293486/step, 2.14098 hours remaining, 205.308594 MB of memory in use. ENERGY: 2373800 725.6419 2115.0736 1970.6679 119.5342 -206075.9845 17831.8668 0.0000 0.0000 34188.6176 -149124.5825 298.5777 -183313.2002 -149031.6593 299.3195 -59.1320 -27.5968 560147.0630 -14.4579 -14.5535 PRESSURE: 2374000 -304.585 -189.842 -49.3563 -189.843 -31.865 67.5278 -49.3563 67.5279 -294.168 GPRESSURE: 2374000 -243.433 -185.577 -14.2545 -162.878 -79.6359 59.8129 -152.651 -1.77748 -216.773 PRESSAVG: 2374000 22.916 -46.4424 45.5381 -46.4424 -54.0135 -8.04746 45.538 -8.04745 2.9348 GPRESSAVG: 2374000 21.2878 -47.8302 44.641 -45.8297 -53.619 -9.63433 46.1316 -7.64199 3.97739 TIMING: 2374000 CPU: 6888.99, 0.00291611/step Wall: 6888.99, 0.00291611/step, 2.12714 hours remaining, 205.308594 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: 2374000 769.5712 2109.2618 1971.8673 124.3483 -205473.2028 17376.0246 0.0000 0.0000 34052.9279 -149069.2017 297.3927 -183122.1296 -148975.2699 299.7055 -210.2062 -179.9472 557681.4724 -9.3876 -9.4513 PRESSURE: 2374200 83.2133 25.2976 -66.1167 25.298 -191.159 76.2615 -66.1181 76.2601 -74.1207 GPRESSURE: 2374200 68.7879 35.5874 -66.7387 -30.9546 -106.753 -14.3295 -0.0329011 202.286 -49.4301 PRESSAVG: 2374200 -29.9628 19.7557 49.5434 19.7557 -14.2918 42.0934 49.5434 42.0933 75.7021 GPRESSAVG: 2374200 -29.6158 22.2062 49.1571 19.2618 -13.267 42.3322 49.5481 42.5786 74.764 TIMING: 2374200 CPU: 6889.57, 0.00288849/step Wall: 6889.57, 0.00288849/step, 2.10683 hours remaining, 205.308594 MB of memory in use. ENERGY: 2374200 759.3560 2093.6925 1975.5389 116.2613 -206143.6829 17852.2586 0.0000 0.0000 34135.9103 -149210.6653 298.1174 -183346.5756 -149105.7713 299.2314 -60.6887 -29.1316 558420.2791 10.4825 10.6270 PRESSURE: 2374400 -31.7196 19.1134 -55.5245 19.1139 -361.621 113.391 -55.5255 113.389 -262.269 GPRESSURE: 2374400 -31.4607 29.637 -40.7403 5.2814 -280.589 186.402 -32.0086 102.832 -247.683 PRESSAVG: 2374400 15.4506 23.8222 13.1246 23.8221 -27.5492 4.30076 13.1245 4.30072 -10.7739 GPRESSAVG: 2374400 15.7039 22.5863 14.1086 24.4915 -28.3936 5.16917 12.1481 2.90781 -10.0872 TIMING: 2374400 CPU: 6890.14, 0.00287602/step Wall: 6890.14, 0.00287602/step, 2.09758 hours remaining, 205.308594 MB of memory in use. ENERGY: 2374400 783.1145 2087.5081 1953.3261 121.7845 -205957.8645 17522.6589 0.0000 0.0000 34244.9901 -149244.4822 299.0700 -183489.4724 -149147.5961 299.3851 -218.5366 -186.5774 557551.9135 -7.6241 -7.5923 PRESSURE: 2374600 218.938 131.408 -85.6019 131.408 -166.829 39.3449 -85.6025 39.3456 -279.283 GPRESSURE: 2374600 237.779 159.949 -136.108 161.862 -167.006 -3.30172 -54.278 -21.7836 -203.735 PRESSAVG: 2374600 1.85355 55.7546 -33.8301 55.7546 -31.9871 -16.5649 -33.83 -16.5648 -2.54397 GPRESSAVG: 2374600 1.66149 54.1911 -34.143 55.9525 -31.926 -17.8208 -33.9383 -16.2155 -1.95019 TIMING: 2374600 CPU: 6890.72, 0.00289501/step Wall: 6890.72, 0.00289501/step, 2.11127 hours remaining, 205.308594 MB of memory in use. ENERGY: 2374600 697.8149 2063.0356 1950.2884 115.7507 -206162.7231 17819.4827 0.0000 0.0000 34334.3397 -149182.0111 299.8503 -183516.3508 -149088.1736 299.3300 -75.7247 -44.3208 557361.1468 -10.8925 -10.7382 PRESSURE: 2374800 -34.1527 91.7719 -12.8516 91.7723 -295.067 -46.1825 -12.8522 -46.1833 -76.3834 GPRESSURE: 2374800 -42.2765 24.9017 -55.3449 119.603 -192.739 -45.8072 -43.1312 -43.4143 -60.6899 PRESSAVG: 2374800 37.2579 14.3251 -3.89756 14.3252 -34.3383 -18.0963 -3.89754 -18.0964 25.1517 GPRESSAVG: 2374800 40.0627 15.1973 -3.50132 14.0314 -35.2635 -18.2637 -3.31465 -18.9755 23.3999 TIMING: 2374800 CPU: 6891.3, 0.00288793/step Wall: 6891.3, 0.00288793/step, 2.10595 hours remaining, 205.308594 MB of memory in use. ENERGY: 2374800 718.8466 2056.7534 1931.5414 119.7249 -206025.7276 17601.2277 0.0000 0.0000 34381.5539 -149216.0797 300.2627 -183597.6336 -149113.0104 299.3651 -135.2009 -98.5683 558014.6281 9.3571 9.3997 PRESSURE: 2375000 -482.1 6.05439 37.1968 6.0545 82.7395 -21.6337 37.1971 -21.6328 165.597 GPRESSURE: 2375000 -448.283 4.35867 115.125 35.248 124.525 -54.2618 -19.9172 -33.684 194.854 PRESSAVG: 2375000 -8.56396 -10.206 14.3882 -10.2061 -22.0373 -13.2768 14.3883 -13.2767 20.7076 GPRESSAVG: 2375000 -11.606 -9.81624 13.5492 -10.7476 -20.2427 -11.8535 16.281 -13.6324 21.9616 TIMING: 2375000 CPU: 6891.88, 0.00289794/step Wall: 6891.88, 0.00289794/step, 2.11308 hours remaining, 205.308594 MB of memory in use. ENERGY: 2375000 693.1890 2100.1263 1944.6366 112.4049 -206168.3534 17756.9808 0.0000 0.0000 34321.3446 -149239.6713 299.7368 -183561.0159 -149144.2271 299.8891 -77.9212 -42.9678 558467.1848 -3.2979 -3.2957 PRESSURE: 2375200 -354.691 40.4266 -72.2681 40.4247 -24.9549 -81.7381 -72.2682 -81.7381 -124.174 GPRESSURE: 2375200 -284.99 108.568 -136.738 -13.8325 8.32787 -136.718 -40.7126 -57.0204 -131.888 PRESSAVG: 2375200 -34.01 -10.0045 -11.3194 -10.0045 19.6651 -43.8065 -11.3195 -43.8064 10.3977 GPRESSAVG: 2375200 -32.3237 -9.4964 -12.7904 -10.8415 19.2621 -44.1598 -11.1497 -44.4939 9.38548 TIMING: 2375200 CPU: 6892.46, 0.00292125/step Wall: 6892.46, 0.00292125/step, 2.12992 hours remaining, 205.308594 MB of memory in use. ENERGY: 2375200 693.0213 2079.6391 1954.6632 117.1841 -205820.2010 17493.1583 0.0000 0.0000 34177.5337 -149305.0013 298.4809 -183482.5350 -149209.7297 299.0646 -167.9399 -136.1835 558059.8708 -1.3158 -1.2253 PRESSURE: 2375400 -35.0342 -28.1899 73.1112 -28.1907 -33.8283 -227.723 73.1112 -227.725 -182.56 GPRESSURE: 2375400 -16.5486 -128.468 77.8156 10.9097 -15.9431 -195.348 91.1296 -184.901 -122.092 PRESSAVG: 2375400 -45.4034 34.4087 9.80292 34.4086 24.6956 7.68322 9.80294 7.6832 -4.18184 GPRESSAVG: 2375400 -45.9559 35.1685 14.317 34.4109 24.8418 7.29481 5.80291 10.3453 -4.1647 TIMING: 2375400 CPU: 6893.04, 0.00287759/step Wall: 6893.04, 0.00287759/step, 2.09793 hours remaining, 205.308594 MB of memory in use. ENERGY: 2375400 703.6325 2123.3540 1958.0338 105.2836 -206146.3583 17768.4700 0.0000 0.0000 34148.1229 -149339.4614 298.2241 -183487.5843 -149250.5390 298.8589 -83.8075 -51.5280 556861.6403 -8.2965 -8.4263 PRESSURE: 2375600 -28.4902 79.5982 19.0247 79.5983 140.244 -41.0548 19.023 -41.0548 -65.2066 GPRESSURE: 2375600 9.00243 44.0533 33.2235 116.096 165.078 14.1539 -19.6195 32.8766 -39.942 PRESSAVG: 2375600 -13.3638 4.53985 51.0534 4.53974 37.7122 -43.8429 51.0535 -43.8429 -54.9402 GPRESSAVG: 2375600 -13.8697 3.3647 48.3817 4.88113 36.4898 -44.887 54.6918 -42.5894 -53.5131 TIMING: 2375600 CPU: 6893.62, 0.00289528/step Wall: 6893.62, 0.00289528/step, 2.11066 hours remaining, 205.308594 MB of memory in use. ENERGY: 2375600 744.1491 2023.5571 1953.8354 101.3691 -206221.4360 17852.7280 0.0000 0.0000 34132.6992 -149413.0981 298.0894 -183545.7973 -149311.5893 298.2888 15.5159 44.7127 557619.6176 -10.1973 -10.2976 PRESSURE: 2375800 215.338 30.3845 43.5871 30.385 40.3794 102.312 43.5877 102.311 101.539 GPRESSURE: 2375800 256.388 -27.9068 57.8018 78.3979 78.4506 118.094 32.2075 174.64 113.076 PRESSAVG: 2375800 4.62022 48.0668 56.1699 48.0669 6.29355 9.05402 56.1699 9.05406 -10.7287 GPRESSAVG: 2375800 4.41741 47.8046 56.7364 49.0985 5.72658 10.0516 55.2487 8.00171 -9.71121 TIMING: 2375800 CPU: 6894.19, 0.00286981/step Wall: 6894.19, 0.00286981/step, 2.09193 hours remaining, 205.308594 MB of memory in use. ENERGY: 2375800 772.5438 2051.6969 1961.9395 116.3061 -206489.5264 18014.4773 0.0000 0.0000 34145.0244 -149427.5385 298.1970 -183572.5629 -149336.8477 298.3291 119.0855 149.3047 557639.6579 0.0617 0.1443 PRESSURE: 2376000 -24.5686 103.035 154.648 103.036 -32.6265 90.2867 154.649 90.287 -206.343 GPRESSURE: 2376000 45.389 126.688 127.515 59.0353 48.733 187.551 124.49 29.0615 -253.271 PRESSAVG: 2376000 21.4024 17.0432 9.43653 17.0432 -17.8487 -8.47341 9.43659 -8.47342 -43.4886 GPRESSAVG: 2376000 21.9667 17.5054 8.56494 14.6718 -17.5345 -5.95781 10.6561 -11.5465 -44.6903 TIMING: 2376000 CPU: 6894.77, 0.00289699/step Wall: 6894.77, 0.00289699/step, 2.11159 hours remaining, 205.308594 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: 2376000 772.6289 2057.8864 1943.1297 110.4642 -206092.2504 17772.6526 0.0000 0.0000 34176.0047 -149259.4838 298.4675 -183435.4885 -149163.3072 298.8649 -87.8460 -53.0498 556791.0214 -13.3116 -13.4193 PRESSURE: 2376200 -156.598 52.4181 3.80087 52.4175 357.346 67.8183 3.80073 67.8173 -143.518 GPRESSURE: 2376200 -126.077 28.7981 7.29366 9.33046 346.774 120.2 -13.1731 16.1121 -72.5738 PRESSAVG: 2376200 12.4762 -31.0629 10.8491 -31.0629 -4.02666 -6.24101 10.8491 -6.24115 57.1134 GPRESSAVG: 2376200 11.1707 -30.4363 12.5057 -28.644 -3.94699 -7.87265 10.5888 -3.62795 57.9494 TIMING: 2376200 CPU: 6895.34, 0.00287642/step Wall: 6895.34, 0.00287642/step, 2.09643 hours remaining, 205.308594 MB of memory in use. ENERGY: 2376200 756.4193 2118.7484 1950.4992 115.4104 -206112.2743 17855.1393 0.0000 0.0000 34146.4959 -149169.5619 298.2098 -183316.0578 -149071.6401 298.8996 19.0764 49.3744 555761.6331 21.8543 21.7244 LDB: ============= START OF LOAD BALANCING ============== 6898.81 LDB: ============== END OF LOAD BALANCING =============== 6898.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6898.81 LDB: ============= START OF LOAD BALANCING ============== 6899.1 LDB: Largest compute 4821 load 0.030511 is 25.9% of average load 0.117656 LDB: Average compute 0.001728 is 1.5% of average load 0.117656 LDB: TIME 6899.1 LOAD: AVG 0.117656 MAX 0.17832 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.105 MB LDB: TIME 6899.1 LOAD: AVG 0.117656 MAX 0.17832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: TIME 6899.1 LOAD: AVG 0.117656 MAX 0.17832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6899.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6899.11 PRESSURE: 2376400 -109.934 120.289 -66.4163 120.29 23.2647 -23.8134 -66.4161 -23.8141 -45.4649 GPRESSURE: 2376400 -8.8402 177.205 -4.56346 175.359 41.5264 -13.2833 -28.2772 -20.8615 -63.4475 PRESSAVG: 2376400 -61.6227 47.6408 -13.3969 47.641 31.4722 46.3477 -13.3969 46.3477 -9.65707 GPRESSAVG: 2376400 -60.696 47.2222 -14.145 47.5605 32.6239 45.521 -14.6541 46.0243 -11.1253 TIMING: 2376400 CPU: 6895.93, 0.00294528/step Wall: 6895.93, 0.00294528/step, 2.14645 hours remaining, 207.148438 MB of memory in use. ENERGY: 2376400 742.6770 2073.2323 1957.9685 95.0192 -205972.1626 17651.0869 0.0000 0.0000 34246.0262 -149206.1524 299.0791 -183452.1787 -149117.3032 299.3304 -44.0449 -10.2538 558002.7609 -13.2692 -13.0658 PRESSURE: 2376600 48.5723 78.8033 113.093 78.8026 -6.35808 258.217 113.093 258.218 -128.182 GPRESSURE: 2376600 66.5025 57.808 76.1858 97.011 56.8176 189.84 80.0817 312.795 -109.223 PRESSAVG: 2376600 -61.0379 -24.9442 1.40974 -24.9442 25.2901 61.8919 1.40972 61.892 -21.7039 GPRESSAVG: 2376600 -60.5642 -25.5558 2.10409 -25.314 25.1544 63.9039 1.16888 61.2191 -21.461 TIMING: 2376600 CPU: 6896.51, 0.00289838/step Wall: 6896.51, 0.00289838/step, 2.11211 hours remaining, 207.351562 MB of memory in use. ENERGY: 2376600 733.6786 2079.6738 1972.0492 116.2248 -206041.0809 17735.7309 0.0000 0.0000 34185.5070 -149218.2166 298.5505 -183403.7236 -149122.0378 298.5122 -28.6561 4.6989 557383.6537 -19.1506 -18.9569 PRESSURE: 2376800 -35.0871 184.243 -12.8933 184.242 214.5 2.12182 -12.8944 2.11958 162.72 GPRESSURE: 2376800 -25.3462 197.895 3.83612 91.7559 233.727 -19.2276 -80.2851 2.99369 222.523 PRESSAVG: 2376800 -23.5327 9.62976 -16.2828 9.62973 19.6526 7.6706 -16.2829 7.67066 3.39959 GPRESSAVG: 2376800 -25.0101 9.71478 -17.8621 8.10259 21.1875 4.63002 -15.3494 8.66615 2.99105 TIMING: 2376800 CPU: 6897.09, 0.00290324/step Wall: 6897.09, 0.00290324/step, 2.11549 hours remaining, 207.417969 MB of memory in use. ENERGY: 2376800 726.6051 2018.5572 1979.1040 112.0218 -206289.7829 17763.2184 0.0000 0.0000 34350.3022 -149339.9741 299.9897 -183690.2763 -149238.4894 299.0398 114.0444 143.6347 556257.9496 -0.1602 -0.2772 PRESSURE: 2377000 17.2905 86.2524 -127.909 86.253 -30.6552 215.094 -127.909 215.095 190.002 GPRESSURE: 2377000 31.7819 127.33 -66.127 182.214 67.4892 146.5 -152.517 200.479 181.539 PRESSAVG: 2377000 -47.3592 -15.0696 13.1555 -15.0696 3.78404 17.2468 13.1555 17.2468 40.6833 GPRESSAVG: 2377000 -46.7136 -13.2492 13.5967 -14.7197 2.2515 17.7575 12.4216 15.8878 41.5116 TIMING: 2377000 CPU: 6897.68, 0.00292961/step Wall: 6897.68, 0.00292961/step, 2.13455 hours remaining, 207.417969 MB of memory in use. ENERGY: 2377000 766.5556 2037.1127 1964.5655 101.1775 -206221.0511 17929.6518 0.0000 0.0000 34210.9891 -149210.9990 298.7731 -183421.9881 -149121.7429 299.4723 58.8792 93.6033 556785.9016 -0.9640 -0.9835 PRESSURE: 2377200 -288.915 239.51 -15.4166 239.511 -201.805 -71.0685 -15.4172 -71.0677 11.6041 GPRESSURE: 2377200 -277.765 264.154 -45.8541 247.034 -104.988 16.2682 -9.68244 -223.123 -3.42027 PRESSAVG: 2377200 -2.76445 38.8092 0.519827 38.8091 -27.6815 54.9645 0.519874 54.9646 46.1223 GPRESSAVG: 2377200 -2.35452 40.1366 1.35686 37.984 -26.2823 56.9422 -0.937758 54.8491 44.1804 TIMING: 2377200 CPU: 6898.26, 0.00291473/step Wall: 6898.26, 0.00291473/step, 2.12354 hours remaining, 207.417969 MB of memory in use. ENERGY: 2377200 724.7877 2071.6983 1970.2477 113.1597 -205754.0366 17457.0047 0.0000 0.0000 34327.4064 -149089.7321 299.7898 -183417.1384 -149001.4009 299.2605 -159.7051 -128.7243 557926.5458 5.2254 5.1812 PRESSURE: 2377400 -329.527 2.11855 -51.7396 2.11758 -279.438 -93.6041 -51.7383 -93.6039 -306.893 GPRESSURE: 2377400 -318.72 64.2018 -22.6261 -38.5703 -291.684 -6.02479 -10.708 -127.771 -208.991 PRESSAVG: 2377400 24.7886 51.1048 -35.5461 51.1048 -51.2652 7.04273 -35.5461 7.04275 19.016 GPRESSAVG: 2377400 24.3624 49.1748 -35.0874 53.9286 -50.8823 4.75633 -35.217 9.16703 18.8554 TIMING: 2377400 CPU: 6898.85, 0.00292572/step Wall: 6898.85, 0.00292572/step, 2.13139 hours remaining, 207.417969 MB of memory in use. ENERGY: 2377400 768.6266 2064.5207 1955.5714 110.9035 -205232.3110 17167.9065 0.0000 0.0000 34287.5848 -148877.1974 299.4420 -183164.7823 -148779.1877 299.6721 -305.2861 -273.1317 558420.5143 -2.4869 -2.5549 PRESSURE: 2377600 66.4984 145.515 1.37328 145.514 119.42 59.1624 1.37295 59.1614 36.1424 GPRESSURE: 2377600 114.968 127.612 -51.5225 140.564 162.685 156.57 83.8142 58.4775 50.7357 PRESSAVG: 2377600 -37.5296 47.8588 -47.8545 47.8588 9.52613 3.54976 -47.8545 3.54981 54.6378 GPRESSAVG: 2377600 -36.2459 48.7203 -48.5759 46.3125 7.25948 3.00768 -47.508 2.78491 56.0579 TIMING: 2377600 CPU: 6899.43, 0.00290497/step Wall: 6899.43, 0.00290497/step, 2.11611 hours remaining, 207.417969 MB of memory in use. ENERGY: 2377600 758.0939 2156.8774 1941.3717 125.0790 -206410.4285 18077.8225 0.0000 0.0000 34324.1673 -149027.0169 299.7615 -183351.1841 -148936.8950 300.2283 74.0202 109.4627 557487.7322 8.8781 9.0238 PRESSURE: 2377800 -230.715 -72.8082 -38.884 -72.8076 -67.3683 -153.752 -38.8845 -153.753 -104.921 GPRESSURE: 2377800 -149.16 -139.221 1.14931 -47.7248 -35.03 -104.899 -21.109 -183.587 -122.316 PRESSAVG: 2377800 47.1467 -17.3046 -23.8174 -17.3047 -8.78944 7.24889 -23.8174 7.24889 -53.3169 GPRESSAVG: 2377800 47.0787 -18.526 -24.3875 -16.1428 -7.67364 8.36757 -22.1082 8.06763 -54.285 TIMING: 2377800 CPU: 6900.01, 0.00290129/step Wall: 6900.01, 0.00290129/step, 2.11327 hours remaining, 207.417969 MB of memory in use. ENERGY: 2377800 743.7938 2170.4873 1981.6650 115.9610 -206199.0745 17691.9550 0.0000 0.0000 34417.4664 -149077.7460 300.5763 -183495.2124 -148986.3605 300.1072 -134.3345 -102.1686 558152.0797 -4.9865 -4.9600 PRESSURE: 2378000 -169.374 165.317 -8.41097 165.317 -110.497 102.729 -8.41071 102.729 -77.0506 GPRESSURE: 2378000 -145.972 152.114 -35.1413 122.268 -87.2337 138.41 -61.9206 16.8541 -26.5661 PRESSAVG: 2378000 2.35694 4.31163 -47.2794 4.31164 -35.9217 -3.74486 -47.2795 -3.745 32.2254 GPRESSAVG: 2378000 1.61989 3.7813 -47.1174 3.17919 -36.2116 -4.76529 -48.7269 -1.70988 32.8576 TIMING: 2378000 CPU: 6900.59, 0.00290769/step Wall: 6900.59, 0.00290769/step, 2.11777 hours remaining, 207.417969 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: 2378000 751.7389 2099.4702 1941.4219 119.3632 -205537.2649 17394.5294 0.0000 0.0000 34167.1083 -149063.6330 298.3899 -183230.7412 -148961.9523 299.8415 -118.9736 -86.5906 558260.2683 -0.4465 -0.5780 PRESSURE: 2378200 -63.234 20.5546 -83.494 20.5557 11.0924 -107.848 -83.4934 -107.849 58.8064 GPRESSURE: 2378200 22.0164 84.7955 -60.9949 18.9168 11.5073 -142.797 -84.3721 -95.1422 72.6 PRESSAVG: 2378200 36.8904 97.069 33.028 97.069 -29.2648 -8.3175 33.028 -8.31754 58.1444 GPRESSAVG: 2378200 36.9767 98.2949 35.8535 97.6306 -29.5897 -9.95029 33.0575 -10.3681 58.2852 TIMING: 2378200 CPU: 6901.17, 0.00291212/step Wall: 6901.17, 0.00291212/step, 2.12083 hours remaining, 207.417969 MB of memory in use. ENERGY: 2378200 767.1651 2026.0033 1971.4792 116.0398 -206009.4691 17778.7508 0.0000 0.0000 34323.9941 -149026.0368 299.7600 -183350.0309 -148931.4099 299.2723 2.2216 35.3746 557962.6545 21.9233 21.8907 PRESSURE: 2378400 -187.686 -33.4907 -203.511 -33.4895 -40.8242 171.452 -203.51 171.452 -292.01 GPRESSURE: 2378400 -155.939 40.5529 -126.875 -21.1289 -20.2384 331.557 -198.3 64.364 -250.979 PRESSAVG: 2378400 4.26541 0.627568 14.7834 0.627549 48.9249 39.8524 14.7833 39.8524 -58.3096 GPRESSAVG: 2378400 5.17956 0.761387 11.819 -1.49438 49.296 40.4194 14.0835 41.0575 -59.4119 TIMING: 2378400 CPU: 6901.75, 0.00289365/step Wall: 6901.75, 0.00289365/step, 2.10722 hours remaining, 207.417969 MB of memory in use. ENERGY: 2378400 752.9529 2104.5662 1971.7583 99.1460 -206231.9480 17726.8085 0.0000 0.0000 34315.9665 -149260.7496 299.6899 -183576.7160 -149161.6436 299.3450 -173.5065 -142.3853 558375.6610 -1.7064 -1.6454 PRESSURE: 2378600 92.1609 178.893 -149.812 178.893 -61.2655 -10.1867 -149.812 -10.1866 -235.054 GPRESSURE: 2378600 129.547 205.767 -174.028 205.027 -27.9184 37.5098 -174.232 -6.90251 -206.157 PRESSAVG: 2378600 99.1417 64.3514 -57.3888 64.3514 -5.315 32.5261 -57.3888 32.5261 -60.6203 GPRESSAVG: 2378600 98.6949 63.6167 -56.4326 66.0213 -4.43347 33.6836 -56.4764 30.5392 -60.5727 TIMING: 2378600 CPU: 6902.33, 0.00290229/step Wall: 6902.33, 0.00290229/step, 2.11335 hours remaining, 207.417969 MB of memory in use. ENERGY: 2378600 721.0396 2130.2929 1956.7160 108.5061 -205917.4773 17603.1478 0.0000 0.0000 34084.3633 -149313.4117 297.6672 -183397.7750 -149221.6891 299.0298 -68.0530 -34.8429 557469.4452 11.0688 11.2296 PRESSURE: 2378800 -54.7125 96.5956 41.2923 96.5955 56.6458 172.117 41.2916 172.117 34.8317 GPRESSURE: 2378800 -7.39577 162.914 2.66285 48.9365 155.858 146.496 86.929 162.521 -26.5213 PRESSAVG: 2378800 -5.57515 49.09 11.912 49.0899 2.59033 14.7722 11.912 14.772 -14.8276 GPRESSAVG: 2378800 -5.04215 49.9465 12.0245 48.4019 2.3527 13.4369 11.2068 14.2364 -15.3067 TIMING: 2378800 CPU: 6902.92, 0.0029326/step Wall: 6902.92, 0.0029326/step, 2.13526 hours remaining, 207.417969 MB of memory in use. ENERGY: 2378800 752.7904 2165.3645 1938.1639 113.8066 -205952.0298 17796.6196 0.0000 0.0000 34033.7061 -149151.5786 297.2248 -183185.2847 -149052.7978 298.5846 12.2550 40.6471 558831.5819 -5.9375 -5.9987 PRESSURE: 2379000 -141.357 -148.759 52.1909 -148.758 4.23432 -25.4839 52.1912 -25.4832 -204.589 GPRESSURE: 2379000 -74.4172 -158.113 81.9254 -168.501 21.8654 -51.6043 55.1392 -30.716 -185.746 PRESSAVG: 2379000 2.37981 -6.60596 -3.26065 -6.60596 -33.2994 -24.1261 -3.26059 -24.1261 -2.45969 GPRESSAVG: 2379000 2.51475 -8.52822 -5.39567 -7.09026 -34.2737 -22.88 -1.92741 -22.4713 -2.08796 TIMING: 2379000 CPU: 6903.5, 0.00291755/step Wall: 6903.5, 0.00291755/step, 2.12414 hours remaining, 207.417969 MB of memory in use. ENERGY: 2379000 772.4261 2097.7079 1952.6181 101.2963 -206383.6270 17979.6756 0.0000 0.0000 34165.3958 -149314.5072 298.3749 -183479.9030 -149218.8392 298.9284 -113.9039 -79.4327 559926.4858 -11.1264 -11.2823 PRESSURE: 2379200 175.614 44.8343 133.129 44.8355 270.002 -14.682 133.129 -14.6817 219.504 GPRESSURE: 2379200 203.226 40.6868 92.4838 16.3634 312.742 11.4339 165.477 -62.0267 248.939 PRESSAVG: 2379200 14.6571 -7.90462 -8.85745 -7.90458 28.5283 -30.0487 -8.85739 -30.0487 -27.1084 GPRESSAVG: 2379200 14.3871 -6.58794 -9.19435 -7.01876 27.8864 -30.283 -7.79663 -31.0934 -26.5718 TIMING: 2379200 CPU: 6904.08, 0.00290975/step Wall: 6904.08, 0.00290975/step, 2.1183 hours remaining, 207.488281 MB of memory in use. ENERGY: 2379200 727.8460 2077.8897 1957.5604 102.0693 -206532.6426 18240.5268 0.0000 0.0000 34267.1613 -149159.5891 299.2636 -183426.7504 -149061.9603 298.3243 221.7066 254.9690 558725.8260 5.3590 5.2339 PRESSURE: 2379400 -309.284 147.652 154.679 147.651 131.591 -63.6204 154.678 -63.6198 -104.689 GPRESSURE: 2379400 -277.292 120.366 229.655 133.541 151.09 -114.347 128.436 -47.0661 -55.6842 PRESSAVG: 2379400 8.13272 10.734 29.3864 10.734 -4.2751 19.6567 29.3863 19.6568 -28.3237 GPRESSAVG: 2379400 7.42947 10.4919 30.9729 10.153 -3.24387 20.103 29.5048 20.3248 -28.4102 TIMING: 2379400 CPU: 6904.67, 0.00293388/step Wall: 6904.67, 0.00293388/step, 2.1357 hours remaining, 207.488281 MB of memory in use. ENERGY: 2379400 760.4030 2125.0119 1967.3235 109.8702 -206232.3440 17760.3274 0.0000 0.0000 34279.1444 -149230.2636 299.3683 -183509.4080 -149133.5617 299.2035 -94.1274 -60.6289 560002.5028 -8.1554 -8.0749 PRESSURE: 2379600 -165.648 -76.1925 45.1252 -76.1922 -209.904 -87.5104 45.1242 -87.5105 141.939 GPRESSURE: 2379600 -182.031 -133.404 18.8311 -119.497 -182.939 -25.5445 73.72 -168.622 226.428 PRESSAVG: 2379600 13.2484 29.4926 30.4561 29.4927 -86.4672 -9.04211 30.4561 -9.04204 67.9952 GPRESSAVG: 2379600 14.4186 27.961 28.9208 29.4736 -88.353 -9.52655 29.5599 -9.88584 68.5755 TIMING: 2379600 CPU: 6905.26, 0.00292383/step Wall: 6905.26, 0.00292383/step, 2.12822 hours remaining, 207.488281 MB of memory in use. ENERGY: 2379600 769.3927 2055.1833 1954.8532 108.7157 -206008.4309 17653.3992 0.0000 0.0000 34264.8159 -149202.0710 299.2432 -183466.8868 -149114.2887 299.1529 -77.8709 -46.1803 557697.4668 -1.7412 -1.7863 PRESSURE: 2379800 50.3046 -15.8224 -44.1363 -15.8218 35.4578 -100.293 -44.1345 -100.292 14.7158 GPRESSURE: 2379800 119.447 8.25466 61.4056 44.8763 65.805 -84.3095 -68.7553 -80.1821 13.6183 PRESSAVG: 2379800 5.90539 -7.48176 20.0624 -7.48173 -65.6218 25.8434 20.0625 25.8433 93.5125 GPRESSAVG: 2379800 4.39708 -5.3064 20.101 -7.06999 -64.2994 26.0694 21.3507 26.2641 93.3461 TIMING: 2379800 CPU: 6905.84, 0.00292813/step Wall: 6905.84, 0.00292813/step, 2.13119 hours remaining, 207.488281 MB of memory in use. ENERGY: 2379800 768.3061 2106.3101 1974.9915 100.4264 -206531.4948 17938.7932 0.0000 0.0000 34339.8639 -149302.8036 299.8986 -183642.6675 -149211.6500 299.1234 33.4927 66.2900 556847.8245 11.2654 11.1479 PRESSURE: 2380000 108.079 84.257 209.573 84.2561 -170.188 -151.348 209.574 -151.348 -202.59 GPRESSURE: 2380000 159.779 98.6225 214.959 54.4575 -158.665 -101.8 264.695 -138.752 -173.032 PRESSAVG: 2380000 18.0307 16.3985 -2.53189 16.3985 -81.0192 14.8855 -2.53185 14.8854 61.9284 GPRESSAVG: 2380000 17.2268 17.3797 -1.36669 15.4736 -80.6941 14.4647 -5.47424 17.0507 61.6039 TIMING: 2380000 CPU: 6906.43, 0.00292186/step Wall: 6906.43, 0.00292186/step, 2.12646 hours remaining, 207.488281 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: 2380000 763.0136 2048.6723 1944.1113 100.5290 -206072.3172 17662.6700 0.0000 0.0000 34098.4531 -149454.8680 297.7903 -183553.3211 -149359.7850 299.4052 -88.2329 -57.3061 556281.5997 -0.3534 -0.6211 PRESSURE: 2380200 -564.326 -188.119 9.45607 -188.12 -21.5805 -100.128 9.45605 -100.128 -381.88 GPRESSURE: 2380200 -501.049 -107.943 -37.8798 -208.899 -20.4902 -39.826 16.2765 -121.576 -350.897 PRESSAVG: 2380200 39.1003 -5.33321 -24.0636 -5.33331 -23.3399 12.952 -24.0636 12.9521 -65.2602 GPRESSAVG: 2380200 39.7578 -6.41395 -24.0797 -5.37849 -23.7683 12.5314 -23.388 11.645 -65.2073 TIMING: 2380200 CPU: 6907.01, 0.0029122/step Wall: 6907.01, 0.0029122/step, 2.11927 hours remaining, 207.488281 MB of memory in use. ENERGY: 2380200 758.1042 2070.3460 1935.1759 121.1200 -205768.2636 17322.9936 0.0000 0.0000 34133.2517 -149427.2722 298.0942 -183560.5239 -149333.2531 298.4152 -322.5958 -290.8120 558684.5035 -16.4999 -16.4059 LDB: ============= START OF LOAD BALANCING ============== 6910.48 LDB: ============== END OF LOAD BALANCING =============== 6910.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6910.48 LDB: ============= START OF LOAD BALANCING ============== 6910.77 LDB: Largest compute 4821 load 0.029704 is 25.2% of average load 0.117760 LDB: Average compute 0.001727 is 1.5% of average load 0.117760 LDB: TIME 6910.77 LOAD: AVG 0.11776 MAX 0.17698 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 6910.77 LOAD: AVG 0.11776 MAX 0.17698 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: TIME 6910.77 LOAD: AVG 0.11776 MAX 0.17698 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 6910.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6910.78 PRESSURE: 2380400 -110.593 -27.8128 78.6987 -27.8139 141.442 19.0457 78.6993 19.0479 113.029 GPRESSURE: 2380400 -135.699 34.1617 116.876 12.4005 194.248 0.493302 62.0047 11.2771 187.022 PRESSAVG: 2380400 -6.51726 52.7301 -17.4775 52.7301 29.6352 6.72924 -17.4776 6.72914 6.59374 GPRESSAVG: 2380400 -8.00094 51.606 -15.9716 55.8344 30.2826 9.34577 -16.3619 7.08526 8.09583 TIMING: 2380400 CPU: 6907.6, 0.00296308/step Wall: 6907.6, 0.00296308/step, 2.15614 hours remaining, 206.644531 MB of memory in use. ENERGY: 2380400 744.0296 2090.8364 1947.4232 113.6527 -206636.8681 18146.7490 0.0000 0.0000 34129.4588 -149464.7184 298.0611 -183594.1772 -149368.3487 298.6169 47.9593 81.8569 558361.8712 9.9039 10.1258 PRESSURE: 2380600 -198.314 97.175 -76.9095 97.1743 -18.4682 56.7401 -76.9107 56.7391 -90.0325 GPRESSURE: 2380600 -144.465 95.2382 -156.202 52.0522 52.6497 107.021 -3.42482 51.4802 -118.581 PRESSAVG: 2380600 -52.6585 1.50167 -10.6149 1.50165 -2.84777 2.6702 -10.6149 2.67021 40.5388 GPRESSAVG: 2380600 -52.1824 1.37721 -10.7798 -0.397075 -2.59433 0.729339 -11.0794 1.69757 40.0261 TIMING: 2380600 CPU: 6908.18, 0.002905/step Wall: 6908.18, 0.002905/step, 2.11371 hours remaining, 206.644531 MB of memory in use. ENERGY: 2380600 733.5703 2062.4345 1957.8491 98.4101 -206021.0374 17684.7270 0.0000 0.0000 34122.3374 -149361.7090 297.9989 -183484.0463 -149272.7339 298.3231 -102.2715 -70.1321 558748.2307 -4.9892 -4.9169 PRESSURE: 2380800 -485.612 55.1368 -85.0896 55.1359 -277.857 -84.3676 -85.0882 -84.3662 -92.2722 GPRESSURE: 2380800 -497.362 -41.3419 -53.8553 165.311 -240.127 53.9996 -39.8723 -132.402 -19.4812 PRESSAVG: 2380800 -8.99805 2.70918 -41.1931 2.70925 38.311 -21.492 -41.1932 -21.4922 57.3736 GPRESSAVG: 2380800 -8.97531 3.94188 -41.7692 1.83274 37.8847 -18.9568 -40.0681 -22.6121 58.1373 TIMING: 2380800 CPU: 6908.76, 0.00291214/step Wall: 6908.76, 0.00291214/step, 2.11874 hours remaining, 206.644531 MB of memory in use. ENERGY: 2380800 726.7013 2049.7597 1987.9619 117.6037 -205902.5883 17585.9155 0.0000 0.0000 34328.4928 -149106.1534 299.7993 -183434.6461 -149015.1755 299.1494 -285.2470 -252.3234 558608.7017 28.8955 29.0156 PRESSURE: 2381000 -110.149 -76.4048 -66.4492 -76.4067 -240.135 126.76 -66.4483 126.761 17.2862 GPRESSURE: 2381000 -103.797 -16.2967 -103.329 -221.9 -188.283 72.2051 -1.16541 133.943 58.7423 PRESSAVG: 2381000 -22.7215 -8.0157 -29.8751 -8.01577 37.985 -9.25696 -29.8751 -9.25689 -44.8602 GPRESSAVG: 2381000 -21.3834 -10.1545 -30.5323 -6.98059 36.9863 -12.3715 -30.424 -7.76917 -44.8709 TIMING: 2381000 CPU: 6909.34, 0.00289886/step Wall: 6909.34, 0.00289886/step, 2.10892 hours remaining, 206.644531 MB of memory in use. ENERGY: 2381000 750.6738 2059.2881 1963.7705 115.9299 -205966.9681 17688.7399 0.0000 0.0000 34361.3461 -149027.2199 300.0862 -183388.5659 -148932.6259 300.3383 -110.9994 -77.7790 557744.1821 -9.8656 -9.7560 PRESSURE: 2381200 -212.668 -66.9586 -11.0749 -66.9587 -41.8541 -166.624 -11.0752 -166.625 -185.522 GPRESSURE: 2381200 -117.888 -59.5043 1.03265 -59.8733 -94.0247 -142.207 -7.30663 -151.961 -129.475 PRESSAVG: 2381200 0.574838 -15.3729 -0.986574 -15.373 0.143246 17.2396 -0.986641 17.2395 1.62073 GPRESSAVG: 2381200 0.0682988 -14.6288 0.592135 -14.6844 1.23802 17.325 -1.54974 17.102 1.17461 TIMING: 2381200 CPU: 6909.92, 0.0029001/step Wall: 6909.92, 0.0029001/step, 2.10966 hours remaining, 206.644531 MB of memory in use. ENERGY: 2381200 759.9331 2093.1396 1953.8897 109.6167 -205785.0823 17563.0988 0.0000 0.0000 34263.9481 -149041.4563 299.2356 -183305.4044 -148950.1938 299.9352 -146.6816 -113.7957 557660.9066 0.7796 0.8270 PRESSURE: 2381400 -41.5323 -135.845 120.958 -135.844 77.6962 21.455 120.958 21.455 -125.857 GPRESSURE: 2381400 5.0699 -113.105 -16.538 -161.813 88.9634 97.024 117.548 35.0038 -103.828 PRESSAVG: 2381400 48.3916 24.5641 -1.87926 24.5642 -58.4165 -25.7446 -1.87916 -25.7446 4.76637 GPRESSAVG: 2381400 47.6814 25.4765 -4.61873 23.7848 -58.6057 -25.1399 -1.13238 -24.3084 5.6632 TIMING: 2381400 CPU: 6910.5, 0.00288541/step Wall: 6910.5, 0.00288541/step, 2.09882 hours remaining, 206.902344 MB of memory in use. ENERGY: 2381400 753.9982 2112.5900 1964.3912 112.2383 -205638.4787 17649.8647 0.0000 0.0000 34135.6486 -148909.7477 298.1151 -183045.3963 -148810.4703 300.0210 -29.8976 -3.2650 558501.9736 -1.7529 -1.7537 PRESSURE: 2381600 329.626 -132.557 103.438 -132.558 -307.243 2.91185 103.437 2.91139 -68.1034 GPRESSURE: 2381600 306.671 -91.2649 192.059 -134.261 -242.683 -71.2397 68.8904 21.335 -13.7469 PRESSAVG: 2381600 8.56013 -32.7907 4.98218 -32.7907 -29.0399 16.6011 4.98218 16.601 19.6578 GPRESSAVG: 2381600 9.27291 -34.7649 5.53649 -33.2155 -28.5033 15.5561 4.1351 16.0739 17.9823 TIMING: 2381600 CPU: 6911.08, 0.00290683/step Wall: 6911.08, 0.00290683/step, 2.11423 hours remaining, 206.902344 MB of memory in use. ENERGY: 2381600 780.8473 2075.6971 1960.4561 117.6850 -206270.1127 17905.3832 0.0000 0.0000 34411.7637 -149018.2803 300.5265 -183430.0441 -148923.7096 299.8564 -15.2399 16.7471 557683.3129 -0.2740 -0.4160 PRESSURE: 2381800 244.648 -76.642 15.1397 -76.6411 -74.541 -139.041 15.1388 -139.04 -214.036 GPRESSURE: 2381800 200.686 -8.21757 8.06721 7.09501 -18.8068 -123.286 40.5024 -186.192 -133.638 PRESSAVG: 2381800 28.0844 39.4456 8.16291 39.4456 10.0255 -24.3878 8.16284 -24.3878 27.452 GPRESSAVG: 2381800 27.119 38.3827 8.86019 40.9301 9.21366 -24.0436 8.89332 -24.1175 29.3212 TIMING: 2381800 CPU: 6911.66, 0.00290578/step Wall: 6911.66, 0.00290578/step, 2.11331 hours remaining, 206.902344 MB of memory in use. ENERGY: 2381800 740.0520 2058.3822 1981.8748 100.9419 -205767.6430 17619.5596 0.0000 0.0000 34281.4826 -148985.3499 299.3887 -183266.8325 -148896.0089 299.5990 -14.6431 16.0806 556513.3163 21.8540 21.8846 PRESSURE: 2382000 -59.4941 -57.9153 -20.5443 -57.9166 117.205 74.1317 -20.5444 74.1299 -45.2293 GPRESSURE: 2382000 -35.0027 -20.024 -79.2306 -38.5985 193.514 58.0731 48.408 94.5054 -50.3275 PRESSAVG: 2382000 24.7372 -11.2108 2.5852 -11.2108 -13.0729 20.9717 2.58515 20.9716 -14.5011 GPRESSAVG: 2382000 25.8919 -11.1794 1.2876 -10.3358 -11.8626 22.5446 0.586552 16.84 -16.0286 TIMING: 2382000 CPU: 6912.24, 0.00288703/step Wall: 6912.24, 0.00288703/step, 2.09951 hours remaining, 206.902344 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: 2382000 750.2181 2025.0205 1983.2460 118.6401 -206079.3794 17754.8230 0.0000 0.0000 34439.9809 -149007.4508 300.7729 -183447.4317 -148916.4862 299.5648 4.1607 36.0612 557680.3767 -0.9456 -0.6664 PRESSURE: 2382200 44.8696 131.638 -37.0386 131.638 97.0971 -165.285 -37.0381 -165.285 54.2118 GPRESSURE: 2382200 71.2134 43.4894 -3.06762 136.229 170.461 -180.265 -56.1093 -97.3941 55.8235 PRESSAVG: 2382200 42.8528 37.1329 4.16371 37.133 -37.6979 -27.024 4.16372 -27.0239 -14.2257 GPRESSAVG: 2382200 43.7455 39.1481 7.06011 32.3315 -38.3718 -27.9023 4.68973 -24.3337 -13.5333 TIMING: 2382200 CPU: 6912.82, 0.00290492/step Wall: 6912.82, 0.00290492/step, 2.11236 hours remaining, 206.902344 MB of memory in use. ENERGY: 2382200 744.8456 2110.6717 1971.9157 114.1842 -206242.3098 17879.5619 0.0000 0.0000 34458.5700 -148962.5607 300.9353 -183421.1307 -148865.1911 299.3752 65.3928 99.1661 556702.6940 -3.0236 -2.7199 PRESSURE: 2382400 -35.6643 30.8899 4.17285 30.8895 45.4312 35.2509 4.17303 35.2501 92.8061 GPRESSURE: 2382400 86.7994 29.3675 19.9371 -3.04943 -16.8949 -20.6633 63.6981 48.7213 126.804 PRESSAVG: 2382400 -40.8875 37.4132 42.5096 37.4132 13.0629 42.6496 42.5096 42.6496 33.9362 GPRESSAVG: 2382400 -42.0629 35.5741 42.4511 39.6463 11.9516 41.5715 42.9397 41.676 35.8135 TIMING: 2382400 CPU: 6913.4, 0.00290036/step Wall: 6913.4, 0.00290036/step, 2.10888 hours remaining, 206.902344 MB of memory in use. ENERGY: 2382400 733.5754 2082.9983 1988.9046 116.2573 -206224.7505 17901.2110 0.0000 0.0000 34385.1661 -149016.6378 300.2942 -183401.8039 -148922.1630 299.8805 34.1910 65.5694 557848.8551 2.0372 1.9007 PRESSURE: 2382600 -218.603 13.9889 42.4693 13.9885 -179.655 -92.8554 42.4695 -92.856 -45.0029 GPRESSURE: 2382600 -179.333 -59.6033 68.0739 86.8941 -141.515 -65.1825 9.96072 -50.0412 -33.7789 PRESSAVG: 2382600 -59.5774 -18.6588 39.864 -18.6588 24.1636 -11.0357 39.8641 -11.0357 17.0313 GPRESSAVG: 2382600 -60.5687 -18.9 38.6124 -18.7329 25.3708 -11.7345 39.5496 -10.3235 16.3493 TIMING: 2382600 CPU: 6913.98, 0.00290986/step Wall: 6913.98, 0.00290986/step, 2.11563 hours remaining, 206.914062 MB of memory in use. ENERGY: 2382600 724.8632 2082.2277 1974.4738 120.2465 -205691.9104 17491.1620 0.0000 0.0000 34253.7351 -149045.2022 299.1464 -183298.9373 -148943.8385 300.0909 -147.7539 -118.2090 557771.4370 -6.1275 -6.2829 PRESSURE: 2382800 -39.9609 -81.7641 53.8017 -81.7632 -45.7797 70.6767 53.8032 70.6772 -38.6306 GPRESSURE: 2382800 -57.9911 -96.6283 57.2772 -29.4441 27.2304 40.4632 -31.3538 87.169 7.50371 PRESSAVG: 2382800 -31.862 -25.6751 51.7285 -25.6751 -16.7893 1.60328 51.7285 1.60328 66.0582 GPRESSAVG: 2382800 -32.897 -23.9613 53.2287 -25.3597 -15.5934 2.58754 51.597 0.425229 66.1107 TIMING: 2382800 CPU: 6914.57, 0.0029435/step Wall: 6914.57, 0.0029435/step, 2.13992 hours remaining, 206.914062 MB of memory in use. ENERGY: 2382800 738.7550 2127.7214 1950.5755 129.5455 -205899.5540 17754.6261 0.0000 0.0000 34112.5112 -149085.8194 297.9130 -183198.3306 -148988.8008 300.0265 -41.4571 -7.7523 556770.9986 5.8023 5.8735 PRESSURE: 2383000 52.5158 81.8956 -17.3298 81.8959 -80.0231 1.99256 -17.3292 1.99361 -51.099 GPRESSURE: 2383000 59.6425 54.6642 61.6016 111.336 -129.937 61.7797 -77.8054 -46.569 82.5757 PRESSAVG: 2383000 4.42344 10.7525 12.2933 10.7526 -22.3668 26.6988 12.2934 26.6989 23.8285 GPRESSAVG: 2383000 5.13858 12.1707 10.9823 8.91103 -22.8119 26.7478 12.1695 28.006 23.5546 TIMING: 2383000 CPU: 6915.16, 0.00292778/step Wall: 6915.16, 0.00292778/step, 2.12834 hours remaining, 206.914062 MB of memory in use. ENERGY: 2383000 771.0129 2070.4993 1971.1567 117.9477 -206192.4659 17899.8565 0.0000 0.0000 34450.5687 -148911.4242 300.8654 -183361.9928 -148815.3595 299.9000 -26.2021 4.0936 558424.7470 1.9617 1.9604 PRESSURE: 2383200 -186.174 86.0234 -21.0319 86.0238 -130.105 -75.8486 -21.0317 -75.8481 -51.3579 GPRESSURE: 2383200 -185.311 87.6365 -76.3841 50.4923 -104.537 -24.133 17.9386 -71.121 9.51876 PRESSAVG: 2383200 34.6031 66.3464 51.8136 66.3464 -17.9052 44.5205 51.8136 44.5204 -13.1716 GPRESSAVG: 2383200 35.6896 64.3889 52.7111 66.6505 -18.3118 45.1076 52.9595 43.0044 -13.6046 TIMING: 2383200 CPU: 6915.74, 0.00292263/step Wall: 6915.74, 0.00292263/step, 2.12443 hours remaining, 206.914062 MB of memory in use. ENERGY: 2383200 768.0523 2096.4233 1987.1945 110.5155 -205910.6415 17584.1524 0.0000 0.0000 34205.9925 -149158.3108 298.7294 -183364.3034 -149061.9517 300.1026 -122.5456 -93.4432 558058.8314 1.1754 1.2577 PRESSURE: 2383400 -280.405 -65.5817 27.3971 -65.5816 8.16211 -99.0778 27.3972 -99.0774 226.714 GPRESSURE: 2383400 -241.025 -110.073 32.9346 -51.2628 32.5875 -129.529 64.4417 -97.9146 269.575 PRESSAVG: 2383400 -35.6275 2.37328 51.2534 2.37332 43.9796 -5.51687 51.2534 -5.51689 -24.2819 GPRESSAVG: 2383400 -36.728 -0.110378 49.8041 2.68116 44.5195 -7.53553 51.3396 -5.04094 -23.7657 TIMING: 2383400 CPU: 6916.33, 0.00295014/step Wall: 6916.33, 0.00295014/step, 2.14426 hours remaining, 206.914062 MB of memory in use. ENERGY: 2383400 747.7919 2106.9037 1993.4340 117.0510 -206319.0124 17807.4942 0.0000 0.0000 34386.9958 -149159.3416 300.3102 -183546.3374 -149067.1584 299.3972 -15.1764 20.3789 557650.4771 -5.3099 -5.3247 PRESSURE: 2383600 -199.568 -123.894 90.1802 -123.894 -74.4769 -121.003 90.1795 -121.001 -69.6941 GPRESSURE: 2383600 -187.825 -130.474 7.58773 -144.278 -4.58019 -98.5105 226.801 -203.082 -64.1822 PRESSAVG: 2383600 10.9043 -5.2312 71.2492 -5.23117 -59.3871 9.22036 71.2492 9.22034 29.3289 GPRESSAVG: 2383600 11.1658 -4.60284 70.7119 -4.95436 -59.9 11.1373 70.8812 9.48963 30.3217 TIMING: 2383600 CPU: 6916.92, 0.00294615/step Wall: 6916.92, 0.00294615/step, 2.14119 hours remaining, 206.914062 MB of memory in use. ENERGY: 2383600 710.2965 2009.3575 1975.1880 112.5072 -205840.1876 17593.3525 0.0000 0.0000 34311.4261 -149128.0598 299.6502 -183439.4859 -149025.8809 299.3840 -114.5796 -85.5293 557816.6328 -6.3847 -6.1375 PRESSURE: 2383800 -48.3162 41.5891 -60.8829 41.5897 290.559 9.20406 -60.884 9.20482 93.0182 GPRESSURE: 2383800 -27.7262 106.155 -93.4361 -22.036 355.359 67.5473 4.48107 -0.159545 108.597 PRESSAVG: 2383800 -48.7076 -20.7644 51.145 -20.7644 10.2169 -9.16873 51.145 -9.16869 19.6056 GPRESSAVG: 2383800 -48.5833 -18.1019 49.2005 -21.2756 9.69896 -9.26101 50.9213 -9.59899 20.2647 TIMING: 2383800 CPU: 6917.51, 0.00292097/step Wall: 6917.51, 0.00292097/step, 2.12273 hours remaining, 206.914062 MB of memory in use. ENERGY: 2383800 745.8780 2023.5072 1964.5921 113.6314 -206376.4520 17887.4846 0.0000 0.0000 34418.6028 -149222.7559 300.5862 -183641.3587 -149121.5102 299.2045 111.7536 145.4098 557243.8010 -6.2950 -6.2066 PRESSURE: 2384000 91.6574 -100.835 -102.913 -100.836 123.641 -47.9301 -102.911 -47.9323 -30.7847 GPRESSURE: 2384000 80.8402 -133.898 2.69356 -148.131 135.573 -106.6 -154.108 11.0696 66.2398 PRESSAVG: 2384000 68.3483 -37.9282 -35.8298 -37.9282 -69.2153 7.98491 -35.8296 7.98493 -23.5472 GPRESSAVG: 2384000 67.4692 -39.2492 -33.9788 -36.1796 -68.6606 6.46356 -35.573 9.2881 -23.164 TIMING: 2384000 CPU: 6918.09, 0.00291038/step Wall: 6918.09, 0.00291038/step, 2.11488 hours remaining, 206.914062 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: 2384000 745.5822 2103.9805 1977.7546 111.7799 -206420.6838 17901.5613 0.0000 0.0000 34357.4316 -149222.5936 300.0520 -183580.0252 -149127.9116 299.8305 61.5046 94.2176 557729.8995 -8.1381 -8.1185 PRESSURE: 2384200 -61.6136 -121.209 -57.435 -121.21 134.555 102.332 -57.4339 102.331 -87.2637 GPRESSURE: 2384200 -5.64951 -177.113 -86.8317 -98.6744 138.005 104.123 -3.45058 53.3733 -53.818 PRESSAVG: 2384200 49.9787 -51.7698 6.04994 -51.7699 -13.9344 30.6839 6.0499 30.6839 -28.6866 GPRESSAVG: 2384200 51.5179 -51.7869 4.85202 -53.2712 -14.7001 32.1543 7.71152 29.6526 -29.3645 TIMING: 2384200 CPU: 6918.67, 0.002914/step Wall: 6918.67, 0.002914/step, 2.11735 hours remaining, 206.914062 MB of memory in use. ENERGY: 2384200 746.4744 2141.4572 1974.0032 114.9684 -206169.2493 17868.2061 0.0000 0.0000 34135.1593 -149188.9807 298.1108 -183324.1401 -149089.4866 298.9635 -4.7742 26.1791 557072.7557 2.4525 2.4845 LDB: ============= START OF LOAD BALANCING ============== 6922.14 LDB: ============== END OF LOAD BALANCING =============== 6922.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6922.14 LDB: ============= START OF LOAD BALANCING ============== 6922.43 LDB: Largest compute 4821 load 0.030288 is 25.7% of average load 0.117754 LDB: Average compute 0.001722 is 1.5% of average load 0.117754 LDB: TIME 6922.43 LOAD: AVG 0.117754 MAX 0.178941 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 6922.43 LOAD: AVG 0.117754 MAX 0.178941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 6922.43 LOAD: AVG 0.117754 MAX 0.178941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: ============== END OF LOAD BALANCING =============== 6922.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6922.44 PRESSURE: 2384400 45.8462 95.8722 31.6986 95.8718 -90.3362 -1.61092 31.6974 -1.61107 33.7513 GPRESSURE: 2384400 42.4502 89.9194 -16.7051 90.6827 -6.30113 -87.3835 23.8013 148.771 44.9237 PRESSAVG: 2384400 -82.0242 -3.53157 -17.9821 -3.53151 56.6297 72.8744 -17.982 72.8744 10.1517 GPRESSAVG: 2384400 -81.5077 -4.47958 -17.7106 -3.42779 57.3532 72.3802 -17.7778 74.825 8.99514 TIMING: 2384400 CPU: 6919.26, 0.0029582/step Wall: 6919.26, 0.0029582/step, 2.1493 hours remaining, 205.765625 MB of memory in use. ENERGY: 2384400 764.2644 2097.7658 1980.5550 116.0392 -206169.1981 17750.6704 0.0000 0.0000 34346.5223 -149113.3810 299.9567 -183459.9033 -149017.6927 299.4951 -3.5796 27.0243 557295.3994 -5.0809 -5.0531 PRESSURE: 2384600 -147.076 24.1127 -106.195 24.1129 -97.2377 9.09323 -106.194 9.09411 126.308 GPRESSURE: 2384600 -46.6334 68.3316 -10.5969 -19.7596 -61.1344 86.3295 -158.783 -4.23145 97.486 PRESSAVG: 2384600 -0.449821 9.88248 -19.6981 9.88254 72.3695 64.2454 -19.6981 64.2454 -45.8236 GPRESSAVG: 2384600 -1.51154 10.6139 -19.4799 11.8 72.0134 64.3347 -22.0743 61.8522 -43.9252 TIMING: 2384600 CPU: 6919.84, 0.00289905/step Wall: 6919.84, 0.00289905/step, 2.10616 hours remaining, 206.171875 MB of memory in use. ENERGY: 2384600 759.8892 2127.5179 1973.2115 114.4765 -206030.7255 17735.3045 0.0000 0.0000 34170.7857 -149149.5402 298.4220 -183320.3259 -149060.1989 299.3765 -39.3352 -3.4272 558025.4084 8.6987 8.8589 PRESSURE: 2384800 -320.386 69.0648 -41.7352 69.065 -231.086 31.7521 -41.734 31.752 -308.388 GPRESSURE: 2384800 -306.794 95.7829 14.1823 38.8174 -206.464 20.6171 -87.0008 86.8258 -238.647 PRESSAVG: 2384800 -32.5871 -39.8077 -15.0693 -39.8076 -42.9787 41.8915 -15.0693 41.8916 25.1003 GPRESSAVG: 2384800 -32.0551 -39.858 -14.2184 -40.7787 -42.3084 40.3994 -15.2486 44.199 23.8502 TIMING: 2384800 CPU: 6920.42, 0.00291042/step Wall: 6920.42, 0.00291042/step, 2.11426 hours remaining, 206.371094 MB of memory in use. ENERGY: 2384800 715.7818 2090.8007 1989.8488 111.6253 -205549.3979 17302.8806 0.0000 0.0000 34351.9719 -148986.4888 300.0043 -183338.4607 -148891.1285 300.1243 -286.6202 -250.6349 559195.1336 -16.8218 -16.8378 PRESSURE: 2385000 -73.7734 -62.91 37.7614 -62.9101 -66.6947 -27.6278 37.7611 -27.6262 168.405 GPRESSURE: 2385000 -2.76491 -57.3778 11.8366 24.0233 -49.2589 -59.3854 -25.8845 -46.5144 172.68 PRESSAVG: 2385000 38.1693 -31.2974 7.12605 -31.2975 -54.8316 -12.2022 7.12605 -12.2022 15.189 GPRESSAVG: 2385000 37.9846 -30.3766 8.07484 -31.6983 -54.6478 -10.2594 6.50353 -15.3048 15.5713 TIMING: 2385000 CPU: 6921.01, 0.00292287/step Wall: 6921.01, 0.00292287/step, 2.12314 hours remaining, 206.371094 MB of memory in use. ENERGY: 2385000 741.8709 2066.6671 1978.6942 101.6947 -205992.6826 17801.3143 0.0000 0.0000 34212.4424 -149089.9991 298.7858 -183302.4415 -148998.6671 299.3950 9.3124 40.2186 557190.9513 -0.4911 -0.3640 PRESSURE: 2385200 243.038 -11.5489 -26.5148 -11.5492 324.137 129.483 -26.515 129.484 205.941 GPRESSURE: 2385200 330.036 -55.3909 5.18472 -86.2488 340.369 134.748 -45.2508 86.8106 200.684 PRESSAVG: 2385200 2.79101 -34.3138 19.8546 -34.3138 -5.83574 -31.0227 19.8545 -31.0226 20.4382 GPRESSAVG: 2385200 3.60349 -33.6331 19.3281 -34.0303 -6.10056 -30.0919 20.9679 -30.3596 19.8418 TIMING: 2385200 CPU: 6921.59, 0.00291041/step Wall: 6921.59, 0.00291041/step, 2.11393 hours remaining, 206.371094 MB of memory in use. ENERGY: 2385200 733.7699 2053.2358 1978.7012 108.6369 -206558.2878 18179.2469 0.0000 0.0000 34332.2802 -149172.4170 299.8323 -183504.6972 -149078.9192 299.4813 257.7053 290.3627 557103.7287 5.7978 5.7816 PRESSURE: 2385400 -232.978 -25.1468 -103.583 -25.1453 -171.662 127.399 -103.583 127.4 -156.515 GPRESSURE: 2385400 -198.679 -19.126 -72.8121 13.0118 -150.499 184.922 -99.0145 87.181 -115.193 PRESSAVG: 2385400 23.1573 -41.3632 -58.1611 -41.3632 -34.2263 29.6662 -58.1611 29.6662 27.9859 GPRESSAVG: 2385400 21.6316 -40.2935 -59.3788 -44.0622 -34.1438 28.9418 -59.6791 31.1322 29.3136 TIMING: 2385400 CPU: 6922.18, 0.00293478/step Wall: 6922.18, 0.00293478/step, 2.13146 hours remaining, 206.371094 MB of memory in use. ENERGY: 2385400 778.0024 2011.4918 1997.9909 119.7477 -205871.3824 17605.1740 0.0000 0.0000 34154.6453 -149204.3303 298.2810 -183358.9756 -149103.7974 299.1179 -187.0515 -154.7901 557888.0679 5.6390 5.6005 PRESSURE: 2385600 -84.4371 143.815 54.2819 143.816 7.87594 -91.5552 54.2835 -91.5537 36.4803 GPRESSURE: 2385600 -85.6244 144.716 56.2926 138.137 41.1906 -151.146 65.8076 -59.6856 85.0508 PRESSAVG: 2385600 30.3745 -11.8323 -49.6855 -11.8322 -23.5 40.9678 -49.6855 40.9678 -13.1367 GPRESSAVG: 2385600 30.85 -11.9222 -50.9359 -10.0045 -23.8475 40.3203 -48.0626 42.0068 -14.0268 TIMING: 2385600 CPU: 6922.77, 0.00293469/step Wall: 6922.77, 0.00293469/step, 2.13123 hours remaining, 206.371094 MB of memory in use. ENERGY: 2385600 739.3805 2058.0264 1984.6667 114.5281 -206684.1961 18065.3641 0.0000 0.0000 34439.9373 -149282.2929 300.7725 -183722.2302 -149175.7198 298.9181 -13.3603 13.5390 557062.1926 -2.0874 -2.3414 PRESSURE: 2385800 -145.092 -36.7321 -51.2575 -36.7334 5.22184 45.575 -51.2571 45.5771 40.2511 GPRESSURE: 2385800 -181.697 -15.4582 -102.243 -11.721 132.688 61.0905 -42.8534 74.2039 37.0531 PRESSAVG: 2385800 8.69854 25.8378 6.55156 25.8379 -20.2076 48.6677 6.55156 48.6678 -5.86264 GPRESSAVG: 2385800 9.70786 23.0041 6.73555 27.0682 -20.1264 50.228 5.6144 44.6427 -6.14768 TIMING: 2385800 CPU: 6923.35, 0.00292875/step Wall: 6923.35, 0.00292875/step, 2.12676 hours remaining, 206.437500 MB of memory in use. ENERGY: 2385800 781.3836 2115.0528 1950.5565 116.2126 -206261.2342 17745.1052 0.0000 0.0000 34339.7461 -149213.1773 299.8975 -183552.9235 -149121.7558 299.2954 -33.2063 -3.9853 558125.4835 -5.7906 -5.5221 PRESSURE: 2386000 -67.7685 43.7427 88.9764 43.7446 -110.151 -275.572 88.9774 -275.572 -231.233 GPRESSURE: 2386000 -13.2918 65.7223 98.493 -47.6726 -101.521 -297.323 220.565 -269.796 -194.629 PRESSAVG: 2386000 29.8532 -6.62962 37.7536 -6.62964 -37.6195 -52.3679 37.7536 -52.3679 20.9107 GPRESSAVG: 2386000 30.1393 -4.89229 37.4146 -8.2468 -37.384 -53.2792 38.5075 -51.2029 21.4006 TIMING: 2386000 CPU: 6923.93, 0.00291719/step Wall: 6923.93, 0.00291719/step, 2.1182 hours remaining, 206.437500 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: 2386000 780.3340 2090.8128 1950.5908 117.8400 -205979.5729 17519.8292 0.0000 0.0000 34248.7230 -149271.4431 299.1026 -183520.1661 -149176.8825 299.2644 -136.3843 -103.1472 557167.2121 4.3815 4.7186 PRESSURE: 2386200 -44.8282 107.385 22.5599 107.387 -257.473 -24.4301 22.56 -24.4287 -206.526 GPRESSURE: 2386200 -30.5807 203.351 -31.5911 38.2128 -145.178 12.3958 24.365 4.1564 -252.6 PRESSAVG: 2386200 16.8754 40.3276 -1.33849 40.3275 -11.1199 -23.2842 -1.33847 -23.2841 1.31722 GPRESSAVG: 2386200 15.9352 42.557 -1.40291 39.4055 -11.0026 -25.4531 -1.44592 -21.5774 1.4218 TIMING: 2386200 CPU: 6924.52, 0.00293934/step Wall: 6924.52, 0.00293934/step, 2.13412 hours remaining, 206.437500 MB of memory in use. ENERGY: 2386200 714.3602 2125.0748 1930.9922 118.2567 -205779.2140 17443.1134 0.0000 0.0000 34110.1521 -149337.2646 297.8924 -183447.4167 -149243.0606 299.3138 -169.6089 -142.7864 557769.7474 2.3576 2.1181 PRESSURE: 2386400 -278.997 84.0049 77.784 84.0055 -144.306 -171.759 77.7839 -171.757 -163.951 GPRESSURE: 2386400 -247.743 35.4351 53.998 92.6066 -80.4917 -47.4472 108.533 -164.572 -164.669 PRESSAVG: 2386400 35.157 3.5983 3.26547 3.59825 -40.8282 -40.1456 3.26558 -40.1457 -12.3564 GPRESSAVG: 2386400 34.4332 -0.232439 2.68086 5.86029 -41.2034 -37.1055 3.89586 -41.398 -11.3351 TIMING: 2386400 CPU: 6925.11, 0.00292392/step Wall: 6925.11, 0.00292392/step, 2.12276 hours remaining, 206.437500 MB of memory in use. ENERGY: 2386400 730.9120 2136.8136 1960.7017 110.4207 -205947.6688 17626.8888 0.0000 0.0000 34252.4870 -149129.4450 299.1355 -183381.9321 -149031.6327 298.9857 -195.7510 -164.3014 559939.6694 -6.0092 -6.0351 PRESSURE: 2386600 8.90003 12.8042 30.2257 12.8051 116.32 28.7921 30.2267 28.7929 34.8367 GPRESSURE: 2386600 25.6628 -30.4099 68.0449 -32.4102 185.896 -0.257974 68.6933 16.7276 35.395 PRESSAVG: 2386600 39.1765 14.7958 3.89136 14.7958 36.153 -5.46583 3.89133 -5.46589 -2.19285 GPRESSAVG: 2386600 39.3128 14.274 7.14131 13.6524 37.4998 -6.36895 2.32145 -5.67661 -3.51105 TIMING: 2386600 CPU: 6925.69, 0.00292305/step Wall: 6925.69, 0.00292305/step, 2.12197 hours remaining, 206.437500 MB of memory in use. ENERGY: 2386600 723.2619 2091.6313 1969.3271 108.9789 -206351.2780 18015.7031 0.0000 0.0000 34309.7965 -149132.5792 299.6360 -183442.3757 -149039.8962 298.8997 53.3524 82.3180 559456.7382 24.3789 24.4339 PRESSURE: 2386800 207.066 -10.845 -95.911 -10.8442 362.336 55.2831 -95.9104 55.2828 304.405 GPRESSURE: 2386800 280.824 -48.2943 -97.1118 58.2306 412.426 144.8 -100.64 -7.36669 285.169 PRESSAVG: 2386800 48.2844 -29.1819 46.5635 -29.1819 -8.03628 -44.6538 46.5636 -44.6537 -24.6259 GPRESSAVG: 2386800 48.8206 -29.1005 44.8688 -29.4893 -8.05377 -45.5361 46.2414 -44.1429 -24.9825 TIMING: 2386800 CPU: 6926.28, 0.00293165/step Wall: 6926.28, 0.00293165/step, 2.12805 hours remaining, 206.437500 MB of memory in use. ENERGY: 2386800 773.8350 2034.2205 1962.4096 126.2076 -206689.3257 18346.6581 0.0000 0.0000 34313.8005 -149132.1944 299.6710 -183445.9949 -149033.7898 298.8798 291.2689 326.1396 556281.5086 5.2074 5.2614 PRESSURE: 2387000 -108.084 -71.6051 -38.3208 -71.6055 114.465 49.3941 -38.3205 49.3959 173.415 GPRESSURE: 2387000 -35.2447 -18.145 -50.6255 -156.757 111.082 126.19 -89.5731 78.8386 200.774 PRESSAVG: 2387000 -42.0767 -80.4822 -9.35083 -80.4823 32.638 26.5623 -9.35083 26.5623 -7.30387 GPRESSAVG: 2387000 -42.2139 -80.3758 -9.2285 -79.9473 32.1435 27.957 -10.2334 28.2371 -7.04239 TIMING: 2387000 CPU: 6926.86, 0.00291116/step Wall: 6926.86, 0.00291116/step, 2.11302 hours remaining, 206.437500 MB of memory in use. ENERGY: 2387000 732.4224 2066.7253 1973.0233 111.4993 -205910.2555 17747.9036 0.0000 0.0000 34253.5976 -149025.0839 299.1452 -183278.6815 -148927.8762 299.6839 59.9320 92.2037 555323.4195 -5.5809 -5.7043 PRESSURE: 2387200 -433.8 -191.719 43.0523 -191.718 -11.1936 -123.761 43.0536 -123.759 -246.45 GPRESSURE: 2387200 -362.121 -225.271 -59.853 -186.724 -64.5494 -164.175 44.7781 -130.152 -160.933 PRESSAVG: 2387200 37.5826 -45.846 39.8701 -45.846 62.1944 -17.4639 39.87 -17.4639 -88.9836 GPRESSAVG: 2387200 38.0124 -46.1345 39.5857 -44.0179 61.1953 -16.4007 41.0144 -18.1034 -88.2803 TIMING: 2387200 CPU: 6927.44, 0.00289792/step Wall: 6927.44, 0.00289792/step, 2.10324 hours remaining, 206.437500 MB of memory in use. ENERGY: 2387200 775.1528 2076.7983 1995.6759 125.2435 -205623.5095 17356.4747 0.0000 0.0000 34309.9786 -148984.1857 299.6376 -183294.1643 -148889.2588 298.9626 -230.4812 -195.8677 557555.8480 3.5978 3.6425 PRESSURE: 2387400 27.0027 38.942 87.6717 38.9418 112.87 -20.6178 87.6733 -20.6176 175.421 GPRESSURE: 2387400 32.175 100.585 107.833 -24.2339 113.431 14.9778 125.831 -44.5984 272.554 PRESSAVG: 2387400 16.7793 -73.7221 -44.0144 -73.7222 -32.4192 -21.1826 -44.0143 -21.1826 34.1994 GPRESSAVG: 2387400 17.3996 -72.5365 -43.5618 -74.5632 -31.6578 -20.3897 -43.4076 -19.9119 32.8174 TIMING: 2387400 CPU: 6928.02, 0.00291348/step Wall: 6928.02, 0.00291348/step, 2.11438 hours remaining, 206.437500 MB of memory in use. ENERGY: 2387400 758.5792 2071.9310 1982.6939 116.1545 -206229.7914 17949.4077 0.0000 0.0000 34258.8856 -149092.1395 299.1914 -183351.0251 -149001.6525 300.1191 105.0982 139.3866 556240.9351 6.1865 6.1864 PRESSURE: 2387600 -79.565 -47.9353 -55.065 -47.9359 -93.025 -27.3179 -55.0651 -27.3177 -194.526 GPRESSURE: 2387600 11.0189 -43.5058 -15.0104 -44.8265 -68.1952 -3.92855 -85.9794 -43.0906 -220.313 PRESSAVG: 2387600 3.012 -29.6395 -74.8337 -29.6395 -13.1476 -10.2225 -74.8338 -10.2225 16.3397 GPRESSAVG: 2387600 0.873725 -29.1015 -75.859 -30.1862 -12.4512 -12.5167 -75.3588 -10.1028 17.4856 TIMING: 2387600 CPU: 6928.6, 0.00288587/step Wall: 6928.6, 0.00288587/step, 2.09418 hours remaining, 206.437500 MB of memory in use. ENERGY: 2387600 758.4191 2108.1675 1974.8421 114.0750 -206034.2303 17711.6971 0.0000 0.0000 34387.4018 -148979.6276 300.3137 -183367.0295 -148879.3789 299.4615 -122.3720 -92.4966 558716.0403 2.0680 1.9694 PRESSURE: 2387800 31.6999 91.8381 -76.2598 91.8364 -18.9013 68.6616 -76.2586 68.6622 -10.6442 GPRESSURE: 2387800 95.9023 22.3822 -149.007 132.575 26.7649 67.7697 -46.8025 92.2305 -29.5075 PRESSAVG: 2387800 42.512 62.0291 -13.5609 62.0292 4.81178 -18.5813 -13.5608 -18.5814 -59.7574 GPRESSAVG: 2387800 42.8715 61.4953 -14.6114 63.7399 4.79498 -17.9877 -13.6242 -20.8929 -60.2688 TIMING: 2387800 CPU: 6929.18, 0.00290493/step Wall: 6929.18, 0.00290493/step, 2.10785 hours remaining, 206.437500 MB of memory in use. ENERGY: 2387800 727.1650 2053.7494 1947.8195 121.9405 -206103.1320 17912.8624 0.0000 0.0000 34242.7479 -149096.8474 299.0504 -183339.5952 -148995.3279 299.8711 0.7181 31.0532 557804.2294 -4.1445 -4.2008 PRESSURE: 2388000 -95.4094 -40.281 -35.0206 -40.2819 58.2083 102.499 -35.019 102.498 -264.144 GPRESSURE: 2388000 -21.702 -14.4013 -1.43509 -82.9947 38.9417 17.495 -15.2518 106.135 -210.406 PRESSAVG: 2388000 45.1629 -32.5314 5.86187 -32.5313 19.9718 6.79219 5.86188 6.79213 5.08609 GPRESSAVG: 2388000 46.3195 -30.7515 7.0963 -34.4007 18.7379 6.93893 5.94476 6.3131 5.52512 TIMING: 2388000 CPU: 6929.76, 0.00290962/step Wall: 6929.76, 0.00290962/step, 2.11109 hours remaining, 206.437500 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: 2388000 767.7890 2046.2990 1952.9092 116.4544 -206033.6906 17840.8145 0.0000 0.0000 34210.9567 -149098.4677 298.7728 -183309.4244 -149001.9157 299.2535 -100.4485 -64.3887 558411.5678 23.4069 23.5275 PRESSURE: 2388200 147.132 -71.6254 117.596 -71.6274 227.829 -145.594 117.595 -145.593 41.1757 GPRESSURE: 2388200 215.142 -146.987 35.7946 -54.3291 217.884 -144.481 163.41 -69.9929 79.7277 PRESSAVG: 2388200 75.0351 -17.5457 -17.8559 -17.5457 -6.30258 -41.316 -17.8558 -41.316 -35.3273 GPRESSAVG: 2388200 73.243 -20.01 -17.1216 -15.9188 -5.76006 -39.8306 -18.3943 -41.3309 -33.8221 TIMING: 2388200 CPU: 6930.35, 0.0029258/step Wall: 6930.35, 0.0029258/step, 2.12267 hours remaining, 206.437500 MB of memory in use. ENERGY: 2388200 741.0033 2022.7586 1962.8630 118.9378 -206236.8539 18005.1693 0.0000 0.0000 34217.1218 -149169.0001 298.8266 -183386.1219 -149071.8797 298.9035 138.7123 170.9179 555873.6818 11.1351 11.2203 LDB: ============= START OF LOAD BALANCING ============== 6933.82 LDB: ============== END OF LOAD BALANCING =============== 6933.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6933.82 LDB: ============= START OF LOAD BALANCING ============== 6934.11 LDB: Largest compute 4821 load 0.031120 is 26.4% of average load 0.117762 LDB: Average compute 0.001719 is 1.5% of average load 0.117762 LDB: TIME 6934.11 LOAD: AVG 0.117762 MAX 0.179034 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.602 MB LDB: TIME 6934.11 LOAD: AVG 0.117762 MAX 0.179034 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: TIME 6934.11 LOAD: AVG 0.117762 MAX 0.179034 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: ============== END OF LOAD BALANCING =============== 6934.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6934.12 PRESSURE: 2388400 -62.3282 124.733 62.646 124.733 -107.078 -203.212 62.6461 -203.211 80.9712 GPRESSURE: 2388400 -10.4416 97.4553 54.612 124.376 -88.799 -236.348 138.55 -130.936 100.999 PRESSAVG: 2388400 57.1785 5.89805 -26.5126 5.89807 -6.43819 -44.3544 -26.5125 -44.3543 -20.6017 GPRESSAVG: 2388400 57.5728 6.33946 -27.3452 5.39935 -5.2701 -45.6449 -25.4796 -43.9664 -21.6342 TIMING: 2388400 CPU: 6930.94, 0.00297662/step Wall: 6930.94, 0.00297662/step, 2.15937 hours remaining, 204.890625 MB of memory in use. ENERGY: 2388400 730.2619 2060.2086 1953.2201 115.4785 -206062.4292 17754.8890 0.0000 0.0000 34398.8790 -149049.4922 300.4140 -183448.3712 -148958.3153 299.0673 -29.4783 0.5860 557745.7870 10.0462 10.2229 PRESSURE: 2388600 -79.1714 63.4881 -185.447 63.4886 -48.9389 72.5657 -185.447 72.5666 -91.3124 GPRESSURE: 2388600 -41.361 161.063 -257.775 -36.3789 -6.64865 28.4544 -142.437 76.6449 -71.4412 PRESSAVG: 2388600 34.221 15.8933 -26.6239 15.8934 27.7683 -26.1627 -26.6241 -26.1626 -28.006 GPRESSAVG: 2388600 35.7573 17.3922 -27.0318 12.2722 27.0535 -26.2657 -27.5392 -25.1518 -28.8603 TIMING: 2388600 CPU: 6931.53, 0.00295956/step Wall: 6931.53, 0.00295956/step, 2.14683 hours remaining, 204.960938 MB of memory in use. ENERGY: 2388600 733.0359 2045.9032 1983.6065 114.3152 -206028.5060 17710.7963 0.0000 0.0000 34344.2745 -149096.5745 299.9371 -183440.8490 -149006.7920 299.3341 -73.1409 -39.8169 557714.9899 11.3278 11.3168 PRESSURE: 2388800 -69.8401 -32.1638 7.00063 -32.1645 10.5319 44.6136 7.00171 44.6128 -4.12337 GPRESSURE: 2388800 -24.3334 -29.5946 -38.9027 -86.5141 53.4192 8.32474 15.7819 34.7443 15.3354 PRESSAVG: 2388800 42.4244 8.97356 3.83982 8.97356 -44.1074 -38.263 3.83993 -38.2631 -55.4066 GPRESSAVG: 2388800 41.9051 5.63315 4.00361 13.6406 -43.8576 -36.6671 3.87594 -39.786 -55.4342 TIMING: 2388800 CPU: 6932.13, 0.00296927/step Wall: 6932.13, 0.00296927/step, 2.15371 hours remaining, 204.960938 MB of memory in use. ENERGY: 2388800 730.6246 2078.4982 1991.3023 110.0024 -206011.8924 17689.4516 0.0000 0.0000 34468.1981 -148943.8153 301.0193 -183412.0134 -148849.1473 299.7790 -21.1439 14.8071 557265.6348 -19.0299 -19.1289 PRESSURE: 2389000 -154.235 -164.266 92.7083 -164.267 -224.37 -274.411 92.7089 -274.41 -249.234 GPRESSURE: 2389000 -148.259 -193.85 67.7911 -148.799 -163.646 -204.617 91.7801 -281.008 -224.985 PRESSAVG: 2389000 16.1804 -3.60682 -25.5946 -3.60677 -1.32682 -74.0926 -25.5946 -74.0925 7.5442 GPRESSAVG: 2389000 15.6692 -0.978674 -25.4614 -6.58193 -1.887 -74.0179 -25.1644 -74.3089 8.53404 TIMING: 2389000 CPU: 6932.71, 0.00289719/step Wall: 6932.71, 0.00289719/step, 2.10126 hours remaining, 204.960938 MB of memory in use. ENERGY: 2389000 773.2572 2050.6571 1952.2940 106.3486 -205437.5323 17520.2230 0.0000 0.0000 34218.8157 -148815.9367 298.8414 -183034.7523 -148725.9949 299.9659 -209.2795 -178.9637 558700.9262 7.4659 7.4387 PRESSURE: 2389200 121.098 -15.7508 -38.667 -15.7512 -52.9069 -184.396 -38.6677 -184.396 75.2763 GPRESSURE: 2389200 226.336 -49.1675 -95.2871 -27.7829 -39.825 -169.848 -58.3639 -105.949 42.8878 PRESSAVG: 2389200 69.4722 41.2074 12.1607 41.2074 -54.4675 -31.0723 12.1606 -31.0722 -8.85176 GPRESSAVG: 2389200 71.0818 40.796 10.4748 41.7031 -55.0502 -33.5103 12.5401 -29.3568 -9.26879 TIMING: 2389200 CPU: 6933.29, 0.00288463/step Wall: 6933.29, 0.00288463/step, 2.092 hours remaining, 204.960938 MB of memory in use. ENERGY: 2389200 765.8751 2062.0687 1980.3137 114.4088 -205663.5423 17864.1295 0.0000 0.0000 34306.8899 -148569.8565 299.6106 -182876.7464 -148479.3969 300.1654 47.8225 76.4664 557619.3829 2.0510 2.2543 PRESSURE: 2389400 -2.22329 162.397 71.7332 162.397 2.36242 -170.16 71.7322 -170.16 -15.0171 GPRESSURE: 2389400 58.5393 160.074 60.0066 126.521 8.46185 -189.829 101.675 -138.662 5.77723 PRESSAVG: 2389400 18.7783 52.3363 16.208 52.3363 -38.2761 16.3621 16.2079 16.362 81.6819 GPRESSAVG: 2389400 18.2147 52.2566 18.0473 51.5738 -37.47 19.036 16.4591 16.2713 82.096 TIMING: 2389400 CPU: 6933.86, 0.00289293/step Wall: 6933.86, 0.00289293/step, 2.09786 hours remaining, 204.960938 MB of memory in use. ENERGY: 2389400 715.3680 2138.0305 1974.4554 111.1954 -205587.0148 17530.5329 0.0000 0.0000 34385.5136 -148731.9190 300.2972 -183117.4326 -148639.1820 301.1396 -4.9593 24.2594 556634.1133 20.7280 20.9469 PRESSURE: 2389600 146.21 -39.5445 -60.2859 -39.5453 282.831 78.5369 -60.2864 78.5362 205.051 GPRESSURE: 2389600 162.199 19.4187 -102.731 -21.9482 330.101 19.3549 -116.088 125.862 244.251 PRESSAVG: 2389600 -28.7696 47.6461 3.71993 47.646 10.8451 2.41098 3.7199 2.41091 30.8733 GPRESSAVG: 2389600 -28.5552 47.8519 3.78442 50.4528 11.2379 2.81227 4.25062 2.0518 29.6336 TIMING: 2389600 CPU: 6934.45, 0.00293166/step Wall: 6934.45, 0.00293166/step, 2.12578 hours remaining, 204.960938 MB of memory in use. ENERGY: 2389600 725.3479 2056.3852 1949.5826 112.6838 -206066.4564 18010.8514 0.0000 0.0000 34315.4913 -148896.1142 299.6857 -183211.6055 -148801.0415 299.9711 211.3638 245.5169 556660.8315 4.3162 4.1054 PRESSURE: 2389800 -277.476 47.4928 135.676 47.492 35.1978 -80.6675 135.677 -80.6674 14.1189 GPRESSURE: 2389800 -152.572 18.6814 91.2238 105.718 40.4991 -192.341 149.437 -3.75034 -12.6659 PRESSAVG: 2389800 27.5106 -34.4543 34.4405 -34.4543 -10.3337 -7.99265 34.4404 -7.99271 9.72744 GPRESSAVG: 2389800 27.5768 -35.6665 33.414 -35.1762 -11.6272 -10.7814 34.3547 -6.74811 11.1836 TIMING: 2389800 CPU: 6935.03, 0.00290901/step Wall: 6935.03, 0.00290901/step, 2.1092 hours remaining, 204.960938 MB of memory in use. ENERGY: 2389800 727.9489 2057.9897 1994.9915 110.7024 -205418.2555 17461.8155 0.0000 0.0000 34211.9810 -148852.8265 298.7817 -183064.8076 -148760.5069 299.6569 -76.0530 -41.5797 557276.5528 8.9681 9.0444 PRESSURE: 2390000 -72.7677 -100.613 4.91258 -100.613 -268.441 -30.204 4.91336 -30.204 -126.157 GPRESSURE: 2390000 -26.9561 -66.294 97.6905 -131.426 -208.301 62.1762 -119.387 -68.8717 -132.158 PRESSAVG: 2390000 8.52011 -11.4478 63.5025 -11.4478 8.22008 -19.0261 63.5026 -19.0261 3.27728 GPRESSAVG: 2390000 7.83356 -8.87132 64.9803 -11.6304 8.73298 -16.4814 61.6516 -20.6637 3.81396 TIMING: 2390000 CPU: 6935.61, 0.0029049/step Wall: 6935.61, 0.0029049/step, 2.10605 hours remaining, 204.960938 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: 2390000 729.8758 2083.0281 1978.7072 126.3889 -205593.6217 17490.1054 0.0000 0.0000 34222.5212 -148962.9949 298.8738 -183185.5161 -148869.6646 299.3002 -155.7887 -122.4715 557535.0181 6.6725 6.7935 PRESSURE: 2390200 202.943 -45.0273 22.9315 -45.0254 180.648 -63.2585 22.9324 -63.2572 83.2513 GPRESSURE: 2390200 256.999 -109.084 51.0218 12.2248 181.038 1.44961 -22.0673 -107.736 128.541 PRESSAVG: 2390200 52.0105 -78.2169 -5.60768 -78.2169 -30.5227 -50.9984 -5.60767 -50.9984 -50.3669 GPRESSAVG: 2390200 53.4434 -80.7116 -5.81258 -77.4865 -30.4026 -51.2099 -4.17766 -52.661 -51.4192 TIMING: 2390200 CPU: 6936.2, 0.00294045/step Wall: 6936.2, 0.00294045/step, 2.13166 hours remaining, 204.960938 MB of memory in use. ENERGY: 2390200 708.0616 2035.9793 1965.2189 119.3171 -206038.1299 17912.6198 0.0000 0.0000 34473.5781 -148823.3551 301.0663 -183296.9332 -148724.7997 299.8721 155.6143 188.8592 555142.1862 -9.6264 -9.4594 PRESSURE: 2390400 -63.1998 -175.671 -97.9301 -175.67 70.8472 34.9955 -97.9299 34.9972 -64.3449 GPRESSURE: 2390400 7.60885 -186.465 -75.7471 -185.971 71.165 25.7831 -115.158 104.213 -46.2851 PRESSAVG: 2390400 46.3114 -43.228 -4.54841 -43.2279 -53.1925 -27.8213 -4.54839 -27.8212 18.3247 GPRESSAVG: 2390400 45.9036 -42.2612 -5.6269 -46.0968 -52.5531 -29.0576 -5.13542 -24.4698 18.3039 TIMING: 2390400 CPU: 6936.78, 0.00290204/step Wall: 6936.78, 0.00290204/step, 2.10366 hours remaining, 204.960938 MB of memory in use. ENERGY: 2390400 712.6825 2102.7264 1980.6945 123.9678 -205584.4371 17547.2395 0.0000 0.0000 34528.7397 -148588.3866 301.5481 -183117.1264 -148491.8910 300.4515 -18.8992 10.8296 557518.2402 3.8145 3.8848 PRESSURE: 2390600 61.8049 -79.8091 -200.652 -79.8105 57.3091 -18.2765 -200.653 -18.2759 188.913 GPRESSURE: 2390600 71.5759 -135.998 -141.514 -52.1585 78.4337 12.0164 -229.973 10.0029 253.728 PRESSAVG: 2390600 55.8088 -48.0071 10.4991 -48.0071 -52.7985 -52.052 10.4991 -52.0519 9.22318 GPRESSAVG: 2390600 55.6545 -48.6113 10.846 -46.4379 -52.6106 -50.0717 10.8495 -54.924 8.96746 TIMING: 2390600 CPU: 6937.37, 0.00292231/step Wall: 6937.37, 0.00292231/step, 2.11819 hours remaining, 205.085938 MB of memory in use. ENERGY: 2390600 702.1492 2117.9131 1969.4016 120.1278 -206034.6524 17994.1149 0.0000 0.0000 34395.5352 -148735.4106 300.3848 -183130.9458 -148640.1606 300.5278 102.6757 134.5792 557487.8418 4.0778 4.0038 PRESSURE: 2390800 -49.4371 -106.129 123.963 -106.128 81.5612 -115.304 123.964 -115.303 -363.709 GPRESSURE: 2390800 2.78587 -119.464 154.057 -92.5589 93.7636 -123.331 103.95 -154.739 -325.879 PRESSAVG: 2390800 -4.37329 -17.3029 33.8932 -17.303 58.5609 -9.44875 33.8931 -9.44882 -64.8716 GPRESSAVG: 2390800 -4.12767 -17.3354 33.4754 -16.7804 57.9796 -10.0055 33.6937 -7.40669 -64.9105 TIMING: 2390800 CPU: 6937.95, 0.00293682/step Wall: 6937.95, 0.00293682/step, 2.12854 hours remaining, 205.085938 MB of memory in use. ENERGY: 2390800 770.7884 2112.7817 1961.2721 112.7375 -205784.7229 17650.2020 0.0000 0.0000 34361.6447 -148815.2965 300.0888 -183176.9412 -148722.2251 300.2148 -110.5283 -76.4432 558563.0960 -3.5613 -3.6862 PRESSURE: 2391000 -182.917 127.626 242.894 127.625 -35.3593 -177.192 242.895 -177.192 -50.0024 GPRESSURE: 2391000 -143.106 137.821 199.081 106.481 -41.6625 -190.544 170.811 -173.653 17.3675 PRESSAVG: 2391000 1.33947 32.9863 6.81188 32.9864 55.8925 -29.7079 6.81183 -29.7079 -21.3543 GPRESSAVG: 2391000 0.645864 31.8134 6.18562 34.0656 55.0284 -30.5542 7.49063 -30.4949 -20.4571 TIMING: 2391000 CPU: 6938.54, 0.00291613/step Wall: 6938.54, 0.00291613/step, 2.11338 hours remaining, 205.085938 MB of memory in use. ENERGY: 2391000 764.7999 2092.0613 1962.2932 104.7936 -205870.3174 17723.6984 0.0000 0.0000 34406.0091 -148816.6619 300.4762 -183222.6710 -148724.2981 299.6042 -89.4263 -55.8002 558539.9677 11.9592 11.7391 PRESSURE: 2391200 -227.268 57.8103 145.35 57.8095 139.259 -32.8088 145.35 -32.8068 -67.7035 GPRESSURE: 2391200 -210.572 27.5366 76.4503 80.1067 208.836 -28.3361 119.465 53.1575 -47.1722 PRESSAVG: 2391200 23.9132 -17.0563 -23.5627 -17.0563 -0.0608357 6.5705 -23.5627 6.57051 -70.6877 GPRESSAVG: 2391200 24.2441 -16.1139 -23.8398 -18.96 1.25443 7.33644 -25.2712 7.80175 -72.1673 TIMING: 2391200 CPU: 6939.12, 0.00291007/step Wall: 6939.12, 0.00291007/step, 2.10883 hours remaining, 205.085938 MB of memory in use. ENERGY: 2391200 754.7808 2097.2617 1978.8019 115.5722 -206047.4243 17856.3697 0.0000 0.0000 34431.1164 -148813.5216 300.6955 -183244.6380 -148717.8133 300.3877 -51.9040 -16.3026 557185.7117 -15.6118 -15.5562 PRESSURE: 2391400 321.823 -108.834 -175.687 -108.834 152.575 -82.5464 -175.686 -82.5469 -150.89 GPRESSURE: 2391400 425.146 -58.8942 -164.43 -244.798 118.414 -138.409 -185.17 -119.272 -126.979 PRESSAVG: 2391400 48.513 -10.0484 2.67679 -10.0483 38.1956 1.64331 2.67678 1.64341 -72.1298 GPRESSAVG: 2391400 48.5596 -9.55308 2.98113 -11.0644 36.588 3.58159 2.4503 -0.991217 -70.4693 TIMING: 2391400 CPU: 6939.7, 0.00292414/step Wall: 6939.7, 0.00292414/step, 2.11886 hours remaining, 205.085938 MB of memory in use. ENERGY: 2391400 767.3702 2103.0510 1961.0653 101.1250 -206137.5645 18009.7735 0.0000 0.0000 34315.5633 -148879.6161 299.6863 -183195.1794 -148786.8809 299.8855 107.8359 138.8603 556834.1911 4.8596 4.8928 PRESSURE: 2391600 -56.7817 220.705 69.6824 220.705 396.891 -41.986 69.682 -41.988 -66.8383 GPRESSURE: 2391600 20.1705 276.58 37.1489 223.325 406.768 -55.0628 106.911 -4.26211 -63.5701 PRESSAVG: 2391600 24.3785 -43.9173 10.8083 -43.9172 53.7376 -7.34883 10.8083 -7.34881 -89.5375 GPRESSAVG: 2391600 24.293 -44.5229 12.1991 -41.7681 54.8975 -8.09724 10.4751 -6.18513 -90.8824 TIMING: 2391600 CPU: 6940.29, 0.00291955/step Wall: 6940.29, 0.00291955/step, 2.11537 hours remaining, 205.085938 MB of memory in use. ENERGY: 2391600 718.2076 2051.2046 1962.1082 118.0783 -206016.4438 17791.2996 0.0000 0.0000 34499.6567 -148875.8888 301.2941 -183375.5454 -148776.3544 299.7422 91.0903 121.1228 557517.2166 -3.8072 -3.8973 PRESSURE: 2391800 28.2556 -29.6181 256.285 -29.617 169.849 279.346 256.285 279.346 -90.8748 GPRESSURE: 2391800 81.5468 -41.9589 138.905 -25.279 216.326 249.571 316.905 280.519 -93.0885 PRESSAVG: 2391800 -19.5915 26.0208 63.0481 26.0208 48.8848 -17.5859 63.0482 -17.5858 -93.318 GPRESSAVG: 2391800 -19.4661 26.7383 61.5939 25.2395 46.9716 -18.6082 62.6923 -17.3803 -92.0885 TIMING: 2391800 CPU: 6940.88, 0.00296144/step Wall: 6940.88, 0.00296144/step, 2.14557 hours remaining, 205.085938 MB of memory in use. ENERGY: 2391800 739.7883 2083.2696 1967.9053 111.5588 -206161.3554 17989.1041 0.0000 0.0000 34455.1646 -148814.5647 300.9055 -183269.7293 -148715.6716 300.1023 35.7432 68.2616 558766.3396 -21.3416 -21.5276 PRESSURE: 2392000 -124.351 -21.4177 188.061 -21.4184 108.857 -128.476 188.061 -128.477 38.2845 GPRESSURE: 2392000 -63.72 -47.4609 204.89 -9.67766 150.661 -100.136 160.092 -81.0436 14.2961 PRESSAVG: 2392000 17.8376 1.34024 24.6379 1.34021 6.68939 54.8058 24.6379 54.8058 -9.88594 GPRESSAVG: 2392000 17.8453 0.140604 26.7081 3.46589 8.72484 54.3793 24.1998 55.6895 -11.7949 TIMING: 2392000 CPU: 6941.47, 0.0029522/step Wall: 6941.47, 0.0029522/step, 2.13871 hours remaining, 205.085938 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: 2392000 729.5509 2173.8206 1966.5409 99.8100 -205871.2374 17751.0431 0.0000 0.0000 34530.5073 -148619.9646 301.5635 -183150.4719 -148515.8982 299.5016 7.5968 33.7456 556886.5339 4.8803 4.9251 PRESSURE: 2392200 193.032 -47.3694 -194.423 -47.3697 -195.257 -31.4106 -194.423 -31.4111 32.7862 GPRESSURE: 2392200 186.382 -68.3378 -171.955 -32.6249 -152.523 -39.0116 -131.871 -36.5177 96.5318 PRESSAVG: 2392200 -2.43874 6.62471 -13.9706 6.62461 -58.4597 16.2647 -13.9706 16.2647 22.2367 GPRESSAVG: 2392200 -3.60163 5.75116 -15.7024 4.05181 -58.8401 14.8455 -13.2294 16.7665 24.0641 TIMING: 2392200 CPU: 6942.05, 0.0028953/step Wall: 6942.05, 0.0028953/step, 2.09732 hours remaining, 205.085938 MB of memory in use. ENERGY: 2392200 767.8874 2164.3045 1979.0671 107.6539 -205861.4313 17767.1595 0.0000 0.0000 34532.7822 -148542.5767 301.5834 -183075.3589 -148451.3768 300.6156 10.1870 43.4637 558529.1441 -12.8872 -12.7926 LDB: ============= START OF LOAD BALANCING ============== 6945.51 LDB: ============== END OF LOAD BALANCING =============== 6945.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6945.52 LDB: ============= START OF LOAD BALANCING ============== 6945.81 LDB: Largest compute 4821 load 0.032207 is 27.3% of average load 0.117806 LDB: Average compute 0.001724 is 1.5% of average load 0.117806 LDB: TIME 6945.81 LOAD: AVG 0.117806 MAX 0.17655 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 6945.81 LOAD: AVG 0.117806 MAX 0.17655 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 6945.81 LOAD: AVG 0.117806 MAX 0.17655 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: ============== END OF LOAD BALANCING =============== 6945.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6945.82 PRESSURE: 2392400 4.97286 38.2488 -50.5622 38.2498 20.8271 104.191 -50.563 104.191 -22.1812 GPRESSURE: 2392400 31.2924 77.5771 -41.333 -46.2647 29.691 96.7019 -125.634 78.5919 30.2483 PRESSAVG: 2392400 21.5186 -17.9423 -61.2002 -17.9423 44.66 -2.27546 -61.2001 -2.27546 -37.2068 GPRESSAVG: 2392400 21.6216 -15.987 -59.2768 -17.6441 44.7424 -0.151288 -61.8652 -1.8498 -37.475 TIMING: 2392400 CPU: 6942.64, 0.00297081/step Wall: 6942.64, 0.00297081/step, 2.15186 hours remaining, 206.265625 MB of memory in use. ENERGY: 2392400 770.8699 2140.2757 1967.8491 115.5948 -205792.9582 17865.5503 0.0000 0.0000 34233.3205 -148699.4979 298.9681 -182932.8184 -148602.0815 300.2130 1.2063 30.4106 558343.5837 9.6573 9.6297 PRESSURE: 2392600 -49.2369 -49.6649 15.2134 -49.6648 13.518 -97.0641 15.214 -97.0638 -86.2913 GPRESSURE: 2392600 -53.9124 -69.1377 72.4741 -72.3207 59.8462 -62.3478 -31.7959 -58.2988 -43.1131 PRESSAVG: 2392600 45.7736 22.3809 -45.7458 22.3809 -72.8386 -8.18518 -45.7459 -8.18537 37.2429 GPRESSAVG: 2392600 45.6748 22.3002 -46.0759 21.2338 -73.4086 -8.76348 -46.1535 -9.31434 38.1805 TIMING: 2392600 CPU: 6943.23, 0.00295283/step Wall: 6943.23, 0.00295283/step, 2.13867 hours remaining, 206.468750 MB of memory in use. ENERGY: 2392600 762.0494 2082.0562 1988.8263 108.7943 -205765.3084 17787.5016 0.0000 0.0000 34325.7959 -148710.2847 299.7757 -183036.0806 -148611.3357 300.0114 -40.6701 -12.3931 556596.3830 3.3926 3.4822 PRESSURE: 2392800 72.9584 -67.7778 -130.635 -67.778 -59.428 -52.2538 -130.636 -52.2541 56.7404 GPRESSURE: 2392800 151.523 -64.0863 -123.666 -88.1815 2.28867 -14.4724 -125.161 -78.9233 22.7523 PRESSAVG: 2392800 39.7751 10.6121 -14.6764 10.6121 48.9693 24.0857 -14.6764 24.0857 -83.0211 GPRESSAVG: 2392800 41.2207 9.04597 -14.1661 11.4603 49.0666 23.9458 -11.3647 24.1662 -84.7586 TIMING: 2392800 CPU: 6943.81, 0.00290375/step Wall: 6943.81, 0.00290375/step, 2.10296 hours remaining, 206.468750 MB of memory in use. ENERGY: 2392800 753.1133 2087.7277 1975.0284 112.4051 -205910.6946 17758.4823 0.0000 0.0000 34518.4159 -148705.5220 301.4579 -183223.9379 -148613.5118 301.2238 23.4236 58.8546 555701.6161 1.9078 1.8429 PRESSURE: 2393000 360.965 -48.9398 17.2166 -48.9407 221.527 -27.0124 17.2178 -27.0119 179.906 GPRESSURE: 2393000 339.658 -126.676 22.1303 -46.4816 283.999 -14.6332 1.58527 10.1533 231.385 PRESSAVG: 2393000 -4.94512 24.4661 3.14317 24.4662 30.412 -31.5042 3.14315 -31.5041 -9.86589 GPRESSAVG: 2393000 -5.70244 23.6058 1.80435 25.8205 30.3565 -30.5077 1.15535 -30.3438 -9.52118 TIMING: 2393000 CPU: 6944.4, 0.00291087/step Wall: 6944.4, 0.00291087/step, 2.10795 hours remaining, 206.468750 MB of memory in use. ENERGY: 2393000 752.3956 2090.1513 2006.9669 105.5779 -206175.8872 18028.9654 0.0000 0.0000 34375.0686 -148816.7615 300.2060 -183191.8301 -148715.2852 300.6467 254.1323 285.0140 555921.3777 5.2003 5.0443 PRESSURE: 2393200 -193.96 108.492 -42.5939 108.491 -150.198 -22.6345 -42.5948 -22.6341 201.507 GPRESSURE: 2393200 -192.478 157.282 -27.3032 86.2699 -59.5462 -50.7607 -29.2117 -44.1271 204.904 PRESSAVG: 2393200 -30.7167 82.1692 -11.4016 82.1692 -11.3818 17.7756 -11.4016 17.7757 18.2159 GPRESSAVG: 2393200 -31.0613 85.1937 -10.6842 78.2973 -11.4222 16.6987 -11.4336 18.5412 18.9251 TIMING: 2393200 CPU: 6944.97, 0.00288181/step Wall: 6944.97, 0.00288181/step, 2.08675 hours remaining, 206.468750 MB of memory in use. ENERGY: 2393200 756.1309 2116.7697 1978.8799 121.8033 -205985.4869 17642.2968 0.0000 0.0000 34490.6544 -148878.9519 301.2155 -183369.6063 -148775.6140 300.6744 -47.5505 -15.7067 557825.4865 -7.9609 -7.8528 PRESSURE: 2393400 -190.332 -25.0868 -175.414 -25.0872 -182.042 127.939 -175.415 127.94 -202.021 GPRESSURE: 2393400 -123.745 47.2437 -173.67 -115.486 -113.074 189.01 -149.957 89.2379 -241.495 PRESSAVG: 2393400 12.6879 41.2715 -32.618 41.2715 -5.11699 56.2211 -32.6179 56.221 15.1001 GPRESSAVG: 2393400 13.1287 41.2726 -31.9366 42.6581 -4.54103 58.0703 -34.1364 53.9013 15.0331 TIMING: 2393400 CPU: 6945.55, 0.0028727/step Wall: 6945.55, 0.0028727/step, 2.07999 hours remaining, 206.468750 MB of memory in use. ENERGY: 2393400 751.3601 2102.1454 1978.5212 119.5907 -205656.9291 17417.5214 0.0000 0.0000 34317.7081 -148970.0822 299.7051 -183287.7903 -148886.8933 299.8651 -191.4654 -159.4379 557970.3824 7.5570 7.8736 PRESSURE: 2393600 -35.1571 139.668 68.8326 139.67 -123.113 4.33015 68.8327 4.32949 -93.487 GPRESSURE: 2393600 -9.3858 210.469 105.165 172.514 -104.168 21.986 129.107 37.788 -45.3035 PRESSAVG: 2393600 28.4038 2.78394 7.42721 2.78404 -1.88862 7.45769 7.42724 7.45766 -50.5264 GPRESSAVG: 2393600 28.514 2.42236 7.9114 2.10779 -2.3769 7.79713 10.601 8.18007 -49.8765 TIMING: 2393600 CPU: 6946.13, 0.00289503/step Wall: 6946.13, 0.00289503/step, 2.096 hours remaining, 206.468750 MB of memory in use. ENERGY: 2393600 754.3290 2079.5514 1959.1272 119.7204 -206064.5671 17704.5876 0.0000 0.0000 34541.7894 -148905.4621 301.6620 -183447.2515 -148811.4128 300.1232 -83.9191 -52.9525 557762.1509 -8.0038 -7.9132 PRESSURE: 2393800 -183.982 100.902 -58.1966 100.903 -0.7464 -24.6095 -58.1975 -24.6074 -171.351 GPRESSURE: 2393800 -112.265 45.0932 -96.3153 92.3843 4.34653 40.7355 -17.5188 -79.2659 -150.56 PRESSAVG: 2393800 57.8893 67.2632 -22.3439 67.2633 -1.28149 -10.934 -22.3439 -10.9341 -55.5248 GPRESSAVG: 2393800 58.0983 65.4154 -24.0287 70.6855 0.156279 -11.0357 -24.5239 -10.9435 -56.7372 TIMING: 2393800 CPU: 6946.71, 0.00289563/step Wall: 6946.71, 0.00289563/step, 2.09628 hours remaining, 206.468750 MB of memory in use. ENERGY: 2393800 771.4319 2079.8190 1970.2336 116.8800 -205483.0175 17539.7626 0.0000 0.0000 34290.3287 -148714.5616 299.4660 -183004.8903 -148618.9536 300.3004 -118.6932 -86.1594 559159.8490 0.3610 0.5058 PRESSURE: 2394000 -434.4 -96.4582 84.59 -96.457 -366.113 -109.691 84.5909 -109.692 -373.676 GPRESSURE: 2394000 -353.11 -123.414 64.2378 -95.0498 -345.649 -91.8214 158.446 -93.4773 -372.502 PRESSAVG: 2394000 24.641 -6.64058 12.4078 -6.64054 -2.35181 -48.4363 12.4078 -48.4363 0.556804 GPRESSAVG: 2394000 25.1364 -5.32436 13.6002 -8.27099 -3.64192 -48.2983 12.8002 -50.9288 0.813878 TIMING: 2394000 CPU: 6947.28, 0.00288183/step Wall: 6947.28, 0.00288183/step, 2.08612 hours remaining, 206.468750 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: 2394000 792.2345 2008.5486 1978.2876 116.2895 -205547.9574 17274.4572 0.0000 0.0000 34423.0885 -148955.0515 300.6254 -183378.1400 -148865.2770 300.4797 -391.3963 -357.0870 559820.2109 7.6153 7.4361 PRESSURE: 2394200 -109.705 262.344 -9.71665 262.344 -102.421 -184.125 -9.71625 -184.125 231.183 GPRESSURE: 2394200 -76.7556 189.624 52.3518 267.538 -49.5893 -220.619 29.6648 -187.567 240.603 PRESSAVG: 2394200 -6.06861 -5.62742 15.824 -5.62748 -5.6433 -43.677 15.8241 -43.6771 34.8929 GPRESSAVG: 2394200 -6.74983 -7.02875 16.4869 -7.99528 -6.05418 -45.4648 16.2712 -40.5172 36.0776 TIMING: 2394200 CPU: 6947.86, 0.00287886/step Wall: 6947.86, 0.00287886/step, 2.08382 hours remaining, 206.468750 MB of memory in use. ENERGY: 2394200 736.0311 2108.5669 1976.4966 105.8707 -205905.7054 17659.9278 0.0000 0.0000 34412.4218 -148906.3906 300.5322 -183318.8123 -148805.5128 300.2750 6.3522 38.0861 557290.4862 7.7270 7.7579 PRESSURE: 2394400 -15.2449 -13.2648 160.625 -13.2637 -217.66 -105.396 160.624 -105.396 -63.0935 GPRESSURE: 2394400 3.49064 50.2809 108.949 -74.3253 -208.221 -84.2299 229.937 -58.5235 -3.55753 PRESSAVG: 2394400 -36.2964 55.4732 -13.6799 55.4732 -67.4517 -3.50749 -13.68 -3.50758 93.8289 GPRESSAVG: 2394400 -35.6585 56.8076 -13.871 55.6991 -66.5795 -2.61115 -14.8669 -3.2622 92.3285 TIMING: 2394400 CPU: 6948.43, 0.00286648/step Wall: 6948.43, 0.00286648/step, 2.0747 hours remaining, 206.468750 MB of memory in use. ENERGY: 2394400 755.6129 2089.6750 1983.0243 108.1387 -206047.9385 17817.9767 0.0000 0.0000 34513.8721 -148779.6388 301.4182 -183293.5109 -148681.0758 299.7894 -98.6661 -69.4295 558578.2024 -3.3064 -3.3032 PRESSURE: 2394600 -193.733 87.2799 -10.4507 87.2803 -211.925 -105.277 -10.4498 -105.276 -46.6821 GPRESSURE: 2394600 -159.213 102.668 1.89722 46.1276 -190.47 -136.048 9.74147 -24.6687 -12.059 PRESSAVG: 2394600 -40.2028 -49.1597 13.401 -49.1597 -19.2592 -67.7704 13.4011 -67.7704 58.4812 GPRESSAVG: 2394600 -41.2997 -49.7982 11.3729 -49.4559 -20.5682 -67.3816 13.6238 -68.5705 60.8398 TIMING: 2394600 CPU: 6949.01, 0.00287565/step Wall: 6949.01, 0.00287565/step, 2.08117 hours remaining, 206.468750 MB of memory in use. ENERGY: 2394600 767.9587 2105.8317 1969.4319 116.4172 -205832.0201 17713.2439 0.0000 0.0000 34395.8340 -148763.3028 300.3874 -183159.1368 -148668.6798 300.2838 -150.7798 -120.5806 559038.8301 -0.3269 -0.3427 PRESSURE: 2394800 56.4098 -68.372 -3.58473 -68.3715 35.0897 -7.98086 -3.58484 -7.9825 36.6211 GPRESSURE: 2394800 41.3557 -55.7969 -4.77617 -48.7445 91.3435 -38.7087 45.1972 88.6309 99.8188 PRESSAVG: 2394800 -70.9536 15.2475 -50.6465 15.2474 -16.3521 4.7552 -50.6465 4.75529 29.1373 GPRESSAVG: 2394800 -71.2371 14.5519 -50.2217 17.3718 -14.7321 5.51694 -48.752 5.51339 27.8049 TIMING: 2394800 CPU: 6949.58, 0.00287687/step Wall: 6949.58, 0.00287687/step, 2.0819 hours remaining, 206.468750 MB of memory in use. ENERGY: 2394800 775.5715 2073.9525 1976.4467 110.0558 -205985.6925 17939.2933 0.0000 0.0000 34278.2309 -148832.1419 299.3603 -183110.3728 -148742.2108 300.7250 42.7069 77.5060 556617.4469 -19.3895 -19.3881 PRESSURE: 2395000 -365.411 31.8519 -52.3925 31.8523 -208.672 -185.36 -52.3926 -185.359 -65.5314 GPRESSURE: 2395000 -326.557 45.3251 -102.289 -21.4959 -163.44 -146.611 -55.345 -209.769 -68.9017 PRESSAVG: 2395000 -45.5704 77.5395 2.9917 77.5395 -38.2157 -24.8285 2.99182 -24.8286 74.0624 GPRESSAVG: 2395000 -43.8157 78.683 1.95046 76.7098 -39.7563 -26.3878 2.1109 -24.0687 74.256 TIMING: 2395000 CPU: 6950.16, 0.00289565/step Wall: 6950.16, 0.00289565/step, 2.09532 hours remaining, 206.468750 MB of memory in use. ENERGY: 2395000 779.3551 2043.9775 1989.0047 116.8652 -205648.8835 17413.1031 0.0000 0.0000 34343.4948 -148963.0830 299.9303 -183306.5778 -148867.2053 300.0622 -213.2049 -186.2997 555384.6387 -3.2413 -3.1053 PRESSURE: 2395200 -242.204 -92.4735 80.7391 -92.4742 138.001 -98.1845 80.7384 -98.1845 -220.338 GPRESSURE: 2395200 -201.121 -20.2093 83.0158 -137.776 110.459 -193.905 -6.71654 -104.37 -139.325 PRESSAVG: 2395200 -18.4393 29.633 10.5207 29.6331 28.5227 -38.7296 10.5207 -38.7297 28.2387 GPRESSAVG: 2395200 -19.4424 26.5562 10.9443 29.3173 28.6837 -37.5509 9.78201 -39.8105 28.5364 TIMING: 2395200 CPU: 6950.74, 0.00290714/step Wall: 6950.74, 0.00290714/step, 2.10348 hours remaining, 206.667969 MB of memory in use. ENERGY: 2395200 766.4388 2136.0448 1942.5633 121.9512 -206048.7377 17716.2835 0.0000 0.0000 34306.1723 -149059.2837 299.6043 -183365.4560 -148962.5794 300.3594 -108.1807 -76.6623 556986.3304 12.7740 12.5925 PRESSURE: 2395400 -94.993 1.61153 0.223632 1.61145 -205.528 11.0614 0.225873 11.0622 -33.7753 GPRESSURE: 2395400 -50.4872 28.9129 77.189 7.04213 -121.795 -105.567 -38.168 8.6961 -51.6344 PRESSAVG: 2395400 -5.03589 39.7861 -9.86025 39.7861 0.468412 -12.8697 -9.86026 -12.8697 -7.85759 GPRESSAVG: 2395400 -5.47764 41.7787 -7.12237 40.8763 1.45111 -12.8584 -9.54212 -12.5284 -7.94719 TIMING: 2395400 CPU: 6951.32, 0.00289639/step Wall: 6951.32, 0.00289639/step, 2.09554 hours remaining, 206.667969 MB of memory in use. ENERGY: 2395400 761.4177 2050.9581 1935.6231 116.3151 -205863.4899 17692.7793 0.0000 0.0000 34225.3351 -149081.0615 298.8984 -183306.3966 -148992.2099 299.6852 -111.4321 -74.6389 556685.1337 -4.1417 -3.9912 PRESSURE: 2395600 55.6571 168.339 57.648 168.339 60.0175 -159.394 57.6481 -159.394 123.292 GPRESSURE: 2395600 88.8928 31.5238 89.1226 144.687 96.4482 -229.79 94.0229 -130.904 153.237 PRESSAVG: 2395600 -2.5107 78.4504 6.06263 78.4504 -34.8801 -31.854 6.06265 -31.854 13.4445 GPRESSAVG: 2395600 -2.25667 79.4885 4.1157 77.7448 -34.8675 -33.1233 5.49831 -31.5903 12.907 TIMING: 2395600 CPU: 6951.9, 0.00289433/step Wall: 6951.9, 0.00289433/step, 2.09389 hours remaining, 206.667969 MB of memory in use. ENERGY: 2395600 742.7918 2061.7059 1974.9641 107.0552 -206013.1679 17728.4806 0.0000 0.0000 34360.0857 -149038.0845 300.0752 -183398.1702 -148940.0454 299.5009 79.6555 112.8592 556284.8759 -7.9821 -8.0724 PRESSURE: 2395800 97.1406 -5.30197 38.0404 -5.30215 1.39522 56.1237 38.0393 56.1232 145.139 GPRESSURE: 2395800 134.112 -50.4579 -11.3874 -13.0813 38.9954 82.097 68.1452 4.75139 161.262 PRESSAVG: 2395800 -71.5916 10.6478 -14.1107 10.6479 34.2495 21.1811 -14.1107 21.1811 51.9888 GPRESSAVG: 2395800 -72.1272 8.90078 -12.9264 11.5155 34.3618 22.6176 -14.4566 20.1994 52.6051 TIMING: 2395800 CPU: 6952.48, 0.00290138/step Wall: 6952.48, 0.00290138/step, 2.09882 hours remaining, 206.667969 MB of memory in use. ENERGY: 2395800 764.1417 2055.9025 1964.5148 110.6418 -205985.0790 17748.8891 0.0000 0.0000 34338.8986 -149002.0904 299.8901 -183340.9890 -148910.0170 299.8237 81.2250 111.4565 557446.9261 4.8822 4.9466 PRESSURE: 2396000 153.132 18.5726 55.6109 18.5731 303.422 178.371 55.6105 178.372 95.2042 GPRESSURE: 2396000 193.112 -13.7297 15.374 24.7603 288.929 128.286 -16.3088 186.684 164.967 PRESSAVG: 2396000 -3.9993 18.1091 -11.4453 18.1091 -26.8231 -37.2765 -11.4453 -37.2764 66.0467 GPRESSAVG: 2396000 -1.82464 18.0979 -12.1111 16.8779 -28.6873 -38.6999 -11.3243 -35.3031 65.3963 TIMING: 2396000 CPU: 6953.06, 0.00291272/step Wall: 6953.06, 0.00291272/step, 2.10687 hours remaining, 206.667969 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: 2396000 755.3659 2074.3893 1970.4989 116.5092 -206065.4933 17956.2844 0.0000 0.0000 34177.1536 -149015.2919 298.4776 -183192.4456 -148913.7947 299.5247 183.9195 215.6693 557757.6786 11.7415 11.6281 PRESSURE: 2396200 -11.5984 68.616 -72.3434 68.6172 30.127 -30.9195 -72.3431 -30.9197 94.6036 GPRESSURE: 2396200 76.3593 47.4514 -36.2552 23.0167 39.4311 -91.363 -13.2142 -29.5231 110.817 PRESSAVG: 2396200 22.55 30.8304 -14.5115 30.8303 -8.78375 22.6277 -14.5115 22.6277 13.5329 GPRESSAVG: 2396200 22.4204 31.5813 -13.3871 30.9231 -7.43795 23.1145 -14.2699 19.7971 13.1912 TIMING: 2396200 CPU: 6953.64, 0.00288677/step Wall: 6953.64, 0.00288677/step, 2.08794 hours remaining, 206.667969 MB of memory in use. ENERGY: 2396200 704.7578 2090.6409 1939.9486 112.9768 -205862.9045 17762.9677 0.0000 0.0000 34354.4997 -148897.1130 300.0264 -183251.6127 -148799.8457 299.4344 37.7107 75.5357 558504.5882 9.0997 9.3912 LDB: ============= START OF LOAD BALANCING ============== 6957.11 LDB: ============== END OF LOAD BALANCING =============== 6957.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6957.11 LDB: ============= START OF LOAD BALANCING ============== 6957.4 LDB: Largest compute 4821 load 0.031441 is 26.7% of average load 0.117716 LDB: Average compute 0.001717 is 1.5% of average load 0.117716 LDB: TIME 6957.4 LOAD: AVG 0.117716 MAX 0.175792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 6957.4 LOAD: AVG 0.117716 MAX 0.175792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: TIME 6957.4 LOAD: AVG 0.117716 MAX 0.175792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6957.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6957.41 PRESSURE: 2396400 197.147 100.136 20.2562 100.137 44.3933 162.881 20.2559 162.88 155.001 GPRESSURE: 2396400 209.806 68.1287 -58.5992 42.0851 113.598 189.665 73.0401 143.731 165.263 PRESSAVG: 2396400 34.9987 47.1644 20.8936 47.1644 -35.1891 47.4548 20.8936 47.4548 11.5264 GPRESSAVG: 2396400 33.554 45.6448 20.7832 48.5423 -34.8363 47.5093 22.451 48.784 12.728 TIMING: 2396400 CPU: 6954.23, 0.00295698/step Wall: 6954.23, 0.00295698/step, 2.13855 hours remaining, 207.355469 MB of memory in use. ENERGY: 2396400 697.0303 2059.9869 1985.3655 137.5093 -205990.6328 17892.3750 0.0000 0.0000 34340.7343 -148877.6315 299.9062 -183218.3658 -148780.3489 300.0644 132.1805 162.8888 557448.9403 3.7787 3.8152 PRESSURE: 2396600 14.9567 -30.4663 -30.0748 -30.4655 -462.647 12.6114 -30.0746 12.6106 -105.554 GPRESSURE: 2396600 46.4856 17.3392 14.3059 -12.2355 -437.553 -77.4596 -42.7605 134.13 -62.9141 PRESSAVG: 2396600 -14.3341 -53.1077 1.49447 -53.1077 -36.604 7.02729 1.49449 7.0273 40.5175 GPRESSAVG: 2396600 -14.0853 -52.8488 1.20324 -54.5154 -35.991 8.17286 -0.899418 5.40962 39.3467 TIMING: 2396600 CPU: 6954.81, 0.00289125/step Wall: 6954.81, 0.00289125/step, 2.09086 hours remaining, 207.425781 MB of memory in use. ENERGY: 2396600 723.4220 2158.4227 1975.6525 108.3085 -205351.0278 17287.8968 0.0000 0.0000 34146.0107 -148951.3146 298.2056 -183097.3252 -148849.9560 299.2469 -184.4148 -151.3270 557528.6269 -3.4735 -3.5765 PRESSURE: 2396800 -285.678 -75.1919 -34.149 -75.192 144.393 46.7562 -34.1489 46.7548 -38.9038 GPRESSURE: 2396800 -222.017 -106.393 -90.5462 -39.6244 123.958 66.8564 -38.6347 -6.84241 17.4876 PRESSAVG: 2396800 -30.024 -39.7315 0.463743 -39.7316 -37.8722 14.4648 0.463873 14.4649 72.7133 GPRESSAVG: 2396800 -28.2935 -38.6159 -1.84824 -41.2023 -39.5938 13.1703 2.73683 15.2605 72.7301 TIMING: 2396800 CPU: 6955.39, 0.00292177/step Wall: 6955.39, 0.00292177/step, 2.11276 hours remaining, 207.425781 MB of memory in use. ENERGY: 2396800 792.9635 2068.2081 1946.7845 113.6976 -206138.8821 17779.7801 0.0000 0.0000 34319.4799 -149117.9684 299.7206 -183437.4482 -149026.6520 298.9262 -60.0630 -26.8572 556556.7479 1.6057 1.6143 PRESSURE: 2397000 122.637 -185.88 -148.034 -185.88 -211.732 -146.435 -148.035 -146.436 -77.0205 GPRESSURE: 2397000 106.276 -175.193 -111.851 -209.286 -151.982 -218.362 -182.901 -31.1071 -17.7894 PRESSAVG: 2397000 -20.3741 -45.9014 -36.6838 -45.9014 0.937526 20.4282 -36.6837 20.4283 54.0562 GPRESSAVG: 2397000 -21.8876 -46.9687 -35.3964 -44.8292 1.95509 19.6214 -36.8534 19.9594 55.0521 TIMING: 2397000 CPU: 6955.97, 0.00289638/step Wall: 6955.97, 0.00289638/step, 2.09425 hours remaining, 207.628906 MB of memory in use. ENERGY: 2397000 705.9377 2079.7813 1962.3056 110.8899 -205978.4031 17680.3985 0.0000 0.0000 34310.6161 -149128.4739 299.6431 -183439.0900 -149031.0100 299.6616 -55.3717 -21.1651 556082.4023 11.5399 11.7065 PRESSURE: 2397200 54.0254 55.3525 5.98272 55.353 46.0071 58.2957 5.98368 58.2934 100.652 GPRESSURE: 2397200 76.1499 106.426 -45.4957 14.5051 78.0507 112.895 56.0112 42.9886 147.566 PRESSAVG: 2397200 27.0717 -50.8682 -53.1171 -50.8681 -45.9962 78.9753 -53.1171 78.9752 54.8295 GPRESSAVG: 2397200 27.0725 -51.6499 -51.9818 -50.425 -45.6729 79.1283 -52.9013 78.4757 54.5604 TIMING: 2397200 CPU: 6956.55, 0.00290533/step Wall: 6956.55, 0.00290533/step, 2.10055 hours remaining, 207.628906 MB of memory in use. ENERGY: 2397200 731.7859 2063.1803 1970.7801 107.7901 -206131.2916 17809.5043 0.0000 0.0000 34354.0154 -149094.2355 300.0222 -183448.2509 -148991.4340 300.2043 66.8948 100.5889 556396.9237 11.9684 11.9867 PRESSURE: 2397400 -80.8658 311.097 143.54 311.097 102.649 15.3899 143.541 15.3912 171.713 GPRESSURE: 2397400 -28.023 329.662 95.2 292.848 142.485 -36.6455 175.099 -32.5889 174.743 PRESSAVG: 2397400 5.80083 25.0436 18.8866 25.0435 -3.33731 43.419 18.8867 43.419 -10.6264 GPRESSAVG: 2397400 7.16578 25.0395 18.282 25.842 -4.19798 45.1153 17.4312 42.7902 -11.2511 TIMING: 2397400 CPU: 6957.14, 0.00292004/step Wall: 6957.14, 0.00292004/step, 2.11103 hours remaining, 207.628906 MB of memory in use. ENERGY: 2397400 734.2440 2132.2149 1947.3274 125.6856 -206180.3840 17856.6169 0.0000 0.0000 34306.8443 -149077.4510 299.6102 -183384.2953 -148982.0239 299.6250 64.4987 96.4017 555649.3052 -2.7210 -2.7611 PRESSURE: 2397600 103.644 85.8055 228.749 85.8048 -76.6203 10.4058 228.748 10.4053 -171.133 GPRESSURE: 2397600 160.776 95.7436 156.904 61.3818 -73.8427 12.5027 268.375 -0.334345 -131.856 PRESSAVG: 2397600 1.61398 -19.9333 -56.2795 -19.9334 14.6294 -4.35687 -56.2795 -4.35692 -6.40291 GPRESSAVG: 2397600 1.63768 -19.1965 -57.2453 -21.1508 13.9472 -6.58988 -55.9686 -5.00233 -6.07744 TIMING: 2397600 CPU: 6957.71, 0.00287218/step Wall: 6957.71, 0.00287218/step, 2.07627 hours remaining, 207.628906 MB of memory in use. ENERGY: 2397600 772.8699 2066.3536 1990.8552 133.4388 -205721.2681 17515.1810 0.0000 0.0000 34079.9283 -149162.6412 297.6285 -183242.5695 -149063.2433 299.5265 -48.0364 -14.9741 556689.0113 3.2802 3.1692 PRESSURE: 2397800 35.4878 27.2597 63.5601 27.2591 -130.235 -226.24 63.5602 -226.242 -53.8857 GPRESSURE: 2397800 160.205 104.895 -13.3637 86.8546 -150.711 -257.758 99.4018 -144.504 -52.5395 PRESSAVG: 2397800 2.97921 -44.9761 3.28245 -44.9761 19.259 -57.3736 3.2824 -57.3737 -20.1513 GPRESSAVG: 2397800 1.83145 -43.7106 5.2356 -44.2323 19.8706 -57.1435 2.38745 -56.0793 -19.4435 TIMING: 2397800 CPU: 6958.29, 0.00289337/step Wall: 6958.29, 0.00289337/step, 2.09143 hours remaining, 207.628906 MB of memory in use. ENERGY: 2397800 750.5660 2123.6076 1964.1338 115.7969 -206216.2777 17770.1713 0.0000 0.0000 34259.8248 -149232.1772 299.1996 -183492.0020 -149140.4263 299.4439 -49.5443 -14.3483 556746.6346 0.6956 0.7529 PRESSURE: 2398000 1.15922 -275.97 -15.0942 -275.968 112.678 -195.589 -15.0952 -195.589 218.114 GPRESSURE: 2398000 69.8904 -238.193 -36.1333 -274.861 164.316 -192.362 15.42 -213.792 190.622 PRESSAVG: 2398000 45.7366 9.3762 17.9871 9.37618 -29.2259 -68.1198 17.9872 -68.1198 -6.50113 GPRESSAVG: 2398000 44.6672 6.71145 17.9685 9.46768 -27.2352 -67.0751 19.1561 -68.3079 -7.76552 TIMING: 2398000 CPU: 6958.88, 0.00292284/step Wall: 6958.88, 0.00292284/step, 2.11256 hours remaining, 207.628906 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: 2398000 775.6334 2124.3385 1952.7680 116.2904 -206328.7049 17928.6520 0.0000 0.0000 34369.2795 -149061.7430 300.1555 -183431.0226 -148954.7819 300.0586 110.6504 141.6093 555595.2442 3.3365 3.2222 PRESSURE: 2398200 -111.494 0.209633 -100.475 0.21044 34.8069 50.2204 -100.476 50.2209 111.815 GPRESSURE: 2398200 -69.2996 43.6458 -120.795 -38.6564 85.1389 15.8797 -15.4951 14.3312 115.397 PRESSAVG: 2398200 47.2286 21.3329 -27.2318 21.333 6.04458 -85.0596 -27.2317 -85.0595 -27.6936 GPRESSAVG: 2398200 48.3442 21.3443 -29.195 20.5316 4.65692 -86.005 -25.8342 -84.497 -27.7533 TIMING: 2398200 CPU: 6959.46, 0.00290134/step Wall: 6959.46, 0.00290134/step, 2.09686 hours remaining, 207.628906 MB of memory in use. ENERGY: 2398200 763.0520 2072.3307 1974.0484 112.5153 -206056.3001 17704.3443 0.0000 0.0000 34241.0201 -149188.9892 299.0353 -183430.0094 -149087.0137 299.8839 11.7094 43.7453 556881.1850 8.5265 8.4159 PRESSURE: 2398400 -106.395 -13.7881 -14.3565 -13.7866 -58.6978 -56.1972 -14.3574 -56.1999 -107.821 GPRESSURE: 2398400 -88.7174 -3.77543 2.13634 -82.3578 -48.4665 3.58752 -44.974 -83.436 -38.5975 PRESSAVG: 2398400 -27.6731 -5.3983 25.6816 -5.39832 -12.7347 -43.717 25.6817 -43.717 9.97809 GPRESSAVG: 2398400 -28.702 -4.50243 25.5166 -4.7594 -12.1254 -42.7748 24.0097 -45.8112 9.9739 TIMING: 2398400 CPU: 6960.03, 0.00288945/step Wall: 6960.03, 0.00288945/step, 2.08811 hours remaining, 207.628906 MB of memory in use. ENERGY: 2398400 745.6890 2115.5343 1979.7235 117.2617 -205866.1272 17509.0985 0.0000 0.0000 34320.6035 -149078.2167 299.7304 -183398.8202 -148989.8136 298.9828 -90.9710 -58.5938 556437.7968 -10.1432 -10.2845 PRESSURE: 2398600 94.5632 177.25 -56.0766 177.249 3.54848 -176.302 -56.0785 -176.303 -269.735 GPRESSURE: 2398600 96.5159 131.449 -110.48 144.641 58.1226 -228.397 -32.1799 -127.598 -227.497 PRESSAVG: 2398600 8.93126 31.2704 -54.5176 31.2705 27.4714 11.7324 -54.5176 11.7324 -5.93524 GPRESSAVG: 2398600 9.22414 30.9516 -53.6157 30.2111 27.4824 11.786 -54.4407 13.6921 -6.44443 TIMING: 2398600 CPU: 6960.61, 0.00287956/step Wall: 6960.61, 0.00287956/step, 2.0808 hours remaining, 207.628906 MB of memory in use. ENERGY: 2398600 766.3033 2124.7876 1945.9674 109.5538 -205776.7684 17420.5918 0.0000 0.0000 34352.7137 -149056.8508 300.0108 -183409.5645 -148961.7861 299.6398 -57.2077 -24.2861 555993.4675 10.1558 10.0874 PRESSURE: 2398800 -269.532 -84.7181 -97.5998 -84.7173 -119.971 -40.5705 -97.6009 -40.5713 -190.382 GPRESSURE: 2398800 -215.131 -75.1205 -72.5947 -109.264 -128.842 44.3231 -22.7416 -13.0558 -134.564 PRESSAVG: 2398800 0.100307 -65.2691 -34.9911 -65.2691 -9.32488 58.5729 -34.9912 58.5731 12.3517 GPRESSAVG: 2398800 1.43294 -65.0093 -35.4456 -64.3323 -9.99737 57.6181 -34.554 59.2562 12.1217 TIMING: 2398800 CPU: 6961.18, 0.00287073/step Wall: 6961.18, 0.00287073/step, 2.07426 hours remaining, 207.699219 MB of memory in use. ENERGY: 2398800 748.7749 2099.5454 1971.6437 115.0137 -205318.6926 17315.3998 0.0000 0.0000 34088.5352 -148979.7799 297.7037 -183068.3151 -148882.7670 299.4623 -193.2950 -159.5126 558776.9392 1.0424 1.1858 PRESSURE: 2399000 119.843 5.21466 -152.734 5.21424 54.503 119.452 -152.733 119.453 98.9041 GPRESSURE: 2399000 174.12 -43.9742 -135.338 -51.5529 59.7561 102.363 -40.7436 140.93 128.483 PRESSAVG: 2399000 25.0036 -4.7806 -8.16722 -4.78066 -1.48004 22.8783 -8.16724 22.8784 -3.67017 GPRESSAVG: 2399000 24.6728 -5.96973 -6.78427 -4.9897 -1.38354 23.7166 -8.86051 20.0825 -3.24224 TIMING: 2399000 CPU: 6961.77, 0.0029073/step Wall: 6961.77, 0.0029073/step, 2.10052 hours remaining, 207.699219 MB of memory in use. ENERGY: 2399000 718.3537 2083.3460 1973.0395 125.3004 -205793.5163 17763.8649 0.0000 0.0000 34276.8265 -148852.7853 299.3481 -183129.6118 -148754.4899 299.8898 91.0833 120.7864 558573.6953 6.6178 6.6824 PRESSURE: 2399200 205.831 -66.9253 -9.60687 -66.9244 123.096 -50.7259 -9.60688 -50.7275 33.5774 GPRESSURE: 2399200 248.766 -19.2571 79.3807 -54.8078 144.318 -14.4477 -121.982 -36.8923 64.667 PRESSAVG: 2399200 72.0957 -42.2537 13.5583 -42.2537 -54.3068 -5.96815 13.5582 -5.9681 0.854414 GPRESSAVG: 2399200 72.3587 -38.9438 13.3861 -43.9998 -54.6167 -6.33044 14.9868 -5.82172 1.16951 TIMING: 2399200 CPU: 6962.35, 0.00291376/step Wall: 6962.35, 0.00291376/step, 2.10503 hours remaining, 207.699219 MB of memory in use. ENERGY: 2399200 722.7945 2102.8492 1981.4939 125.1210 -206046.5947 18009.8601 0.0000 0.0000 34352.1823 -148752.2937 300.0062 -183104.4760 -148660.3046 300.5631 120.8346 152.5838 558881.2192 6.2144 6.3038 PRESSURE: 2399400 -97.769 -39.6247 101.083 -39.6246 -6.30086 -63.0897 101.084 -63.0878 -423.204 GPRESSURE: 2399400 -104.315 -39.605 103.135 61.4098 32.2594 -27.4027 51.1669 -107.22 -345.427 PRESSAVG: 2399400 41.7081 -33.2601 -27.0435 -33.2601 -14.2254 -13.0128 -27.0435 -13.0127 -59.1134 GPRESSAVG: 2399400 41.0536 -34.9827 -28.7452 -29.8882 -13.1508 -11.7497 -28.4133 -13.2311 -59.0405 TIMING: 2399400 CPU: 6962.93, 0.0028971/step Wall: 6962.93, 0.0028971/step, 2.09283 hours remaining, 207.699219 MB of memory in use. ENERGY: 2399400 785.9181 2118.6439 1953.6116 107.5904 -205759.4561 17653.9110 0.0000 0.0000 34403.0731 -148736.7081 300.4506 -183139.7811 -148641.7683 300.1505 -175.7580 -139.1607 560136.5031 -10.5436 -10.3792 PRESSURE: 2399600 82.5311 19.3131 14.7077 19.312 -25.3246 74.4572 14.708 74.4573 20.8357 GPRESSURE: 2399600 118.327 54.2841 -97.9284 -104.648 -7.04077 106.984 48.7523 -44.6432 61.6624 PRESSAVG: 2399600 11.0383 3.79104 38.1965 3.79105 -33.5923 -39.0435 38.1965 -39.0435 23.0487 GPRESSAVG: 2399600 11.1844 4.22928 38.8623 2.69543 -34.0484 -40.5232 40.3871 -39.1547 23.0686 TIMING: 2399600 CPU: 6963.51, 0.00289016/step Wall: 6963.51, 0.00289016/step, 2.08766 hours remaining, 207.699219 MB of memory in use. ENERGY: 2399600 731.6738 2149.1217 1957.6584 125.1192 -205551.7756 17575.4124 0.0000 0.0000 34348.5883 -148664.2017 299.9748 -183012.7900 -148573.5599 300.3638 26.0141 57.6497 558302.0895 0.1649 0.0682 PRESSURE: 2399800 262.72 200.211 -287.749 200.211 132.269 -32.5262 -287.749 -32.5254 47.1434 GPRESSURE: 2399800 289.459 261.061 -335.507 94.0716 117.975 28.6208 -302.451 -27.6876 138.98 PRESSAVG: 2399800 33.666 17.2966 -81.4049 17.2965 34.6218 -23.5611 -81.405 -23.5612 -5.89436 GPRESSAVG: 2399800 34.1919 15.8755 -80.7553 16.4964 33.9139 -24.3466 -81.853 -22.6546 -5.84068 TIMING: 2399800 CPU: 6964.09, 0.00289463/step Wall: 6964.09, 0.00289463/step, 2.09072 hours remaining, 207.699219 MB of memory in use. ENERGY: 2399800 688.7987 2103.6779 1962.1412 110.4071 -205779.6872 17885.4853 0.0000 0.0000 34186.8945 -148842.2826 298.5627 -183029.1771 -148742.4573 300.5974 147.3775 182.1380 557092.8963 20.7978 20.7550 PRESSURE: 2400000 144.142 20.4164 -100.981 20.4152 -28.6333 -84.4034 -100.982 -84.4053 -42.2353 GPRESSURE: 2400000 162.506 88.008 -184.625 -71.2946 5.48801 -40.5132 -82.7808 -28.4579 6.81111 PRESSAVG: 2400000 -3.47146 -22.334 -19.1446 -22.334 -11.1592 49.7715 -19.1447 49.7715 28.0105 GPRESSAVG: 2400000 -1.96881 -22.3746 -19.2234 -22.011 -11.309 52.1958 -21.4666 46.6205 26.5933 TIMING: 2400000 CPU: 6964.66, 0.00289099/step Wall: 6964.66, 0.00289099/step, 2.08794 hours remaining, 207.699219 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: 2400000 788.1182 2115.1742 2002.9565 103.7847 -206016.9651 17850.2924 0.0000 0.0000 34330.3072 -148826.3319 299.8151 -183156.6391 -148732.6696 300.2840 24.4245 58.2685 557062.8636 4.4600 4.4385 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 -113.105 -63.3251 -141.969 -63.3251 -92.4317 27.9371 -141.969 27.9363 -274.402 GPRESSURE: 2400200 -82.7675 -72.065 -103.436 -23.8179 -16.401 5.73783 -165.506 -4.38865 -282.602 PRESSAVG: 2400200 -43.2986 4.18508 -81.7297 4.18507 55.5962 93.4089 -81.7297 93.4089 -11.7074 GPRESSAVG: 2400200 -46.6414 3.08781 -80.7231 5.67182 56.9519 92.8646 -81.5419 95.4512 -9.95302 TIMING: 2400200 CPU: 6965.26, 0.00296821/step Wall: 6965.26, 0.00296821/step, 2.14354 hours remaining, 207.824219 MB of memory in use. ENERGY: 2400200 744.1021 2107.7364 1941.6381 108.2545 -205705.9160 17587.6507 0.0000 0.0000 34479.9831 -148736.5510 301.1223 -183216.5342 -148634.7198 300.2204 -159.9795 -127.2568 559497.9666 0.1967 0.1192 LDB: ============= START OF LOAD BALANCING ============== 6968.72 LDB: ============== END OF LOAD BALANCING =============== 6968.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6968.72 LDB: ============= START OF LOAD BALANCING ============== 6969.01 LDB: Largest compute 4821 load 0.032545 is 27.6% of average load 0.117851 LDB: Average compute 0.001722 is 1.5% of average load 0.117851 LDB: TIME 6969.01 LOAD: AVG 0.117851 MAX 0.179187 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 6969.01 LOAD: AVG 0.117851 MAX 0.179187 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 6969.01 LOAD: AVG 0.117851 MAX 0.179187 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6969.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6969.02 PRESSURE: 2400400 -230.837 77.866 6.32025 77.8663 -20.5209 30.8846 6.32077 30.8849 -157.919 GPRESSURE: 2400400 -216.741 128.502 -47.8375 65.6066 15.5124 -8.18804 65.575 37.8387 -117.969 PRESSAVG: 2400400 -11.2028 43.1614 -21.077 43.1613 6.81599 -23.4719 -21.0769 -23.4718 -41.0216 GPRESSAVG: 2400400 -10.4025 44.7195 -21.3228 40.8379 7.36375 -27.0064 -20.4191 -21.2962 -42.1445 TIMING: 2400400 CPU: 6965.84, 0.00292472/step Wall: 6965.84, 0.00292472/step, 2.11197 hours remaining, 207.417969 MB of memory in use. ENERGY: 2400400 733.7157 2155.4268 1968.8367 110.5834 -205816.2279 17464.5999 0.0000 0.0000 34493.7694 -148889.2960 301.2427 -183383.0653 -148787.0402 300.6814 -136.4257 -106.3995 558497.8590 -15.1361 -15.0611 PRESSURE: 2400600 116.646 84.7405 -57.0986 84.7413 127.367 -80.4184 -57.0988 -80.4174 -240.343 GPRESSURE: 2400600 133.922 116.696 -96.112 52.1747 174.572 -102.011 -19.5319 -100.931 -221.565 PRESSAVG: 2400600 11.9811 20.1764 -4.24496 20.1764 -2.19877 -35.4458 -4.24493 -35.4457 0.627022 GPRESSAVG: 2400600 12.8014 22.4123 -4.31495 18.9442 -2.85698 -33.7715 -3.70655 -36.2212 0.410024 TIMING: 2400600 CPU: 6966.42, 0.00289042/step Wall: 6966.42, 0.00289042/step, 2.08704 hours remaining, 207.621094 MB of memory in use. ENERGY: 2400600 756.2787 2095.7965 1984.2446 116.3071 -205801.6978 17801.5131 0.0000 0.0000 34350.2560 -148697.3018 299.9893 -183047.5577 -148595.6867 300.5937 1.2232 28.9764 559408.7817 3.4698 3.4515 PRESSURE: 2400800 -23.2836 -69.206 -117.748 -69.2057 265.769 9.07956 -117.749 9.07893 122.65 GPRESSURE: 2400800 59.872 -57.3992 -98.4258 -81.4882 265.041 71.639 -152.359 -29.7895 136.75 PRESSAVG: 2400800 17.7321 8.77432 23.48 8.77436 71.2787 -62.515 23.48 -62.515 -78.7077 GPRESSAVG: 2400800 16.9979 9.36712 22.6898 8.88324 70.3745 -64.4052 23.2568 -60.6996 -76.8957 TIMING: 2400800 CPU: 6967, 0.00287437/step Wall: 6967, 0.00287437/step, 2.07529 hours remaining, 207.621094 MB of memory in use. ENERGY: 2400800 713.8428 2159.3747 1977.5781 108.8158 -206397.3351 17902.9952 0.0000 0.0000 34770.2028 -148764.5256 303.6568 -183534.7284 -148671.7633 300.6424 121.7117 153.8877 557219.7811 3.4344 3.4922 PRESSURE: 2401000 -292.538 -116.276 -42.5026 -116.276 -77.7958 -91.3952 -42.503 -91.3949 -8.83375 GPRESSURE: 2401000 -213.351 -174.5 -137.254 -121.228 -16.5287 -11.0397 3.30454 -84.6327 -32.1338 PRESSAVG: 2401000 -45.4509 1.16983 -15.9385 1.16991 20.9448 -0.200838 -15.9386 -0.200912 22.2384 GPRESSAVG: 2401000 -44.718 -0.486886 -15.5717 2.65325 20.9822 2.94396 -16.3687 -2.99707 21.8227 TIMING: 2401000 CPU: 6967.57, 0.00288732/step Wall: 6967.57, 0.00288732/step, 2.08449 hours remaining, 207.878906 MB of memory in use. ENERGY: 2401000 793.0653 2179.6541 1970.0666 114.9341 -205492.4337 17613.6094 0.0000 0.0000 34155.0007 -148666.1035 298.2841 -182821.1042 -148572.4964 300.3324 -126.3892 -87.3380 559024.4060 -0.7559 -0.6377 PRESSURE: 2401200 -64.114 -148.12 97.2665 -148.12 4.81834 65.2434 97.2666 65.2436 57.2485 GPRESSURE: 2401200 -32.8762 -87.8579 129.758 -104.257 69.8639 -48.9943 75.7714 189.648 56.6536 PRESSAVG: 2401200 -14.6588 -3.12732 16.1484 -3.12729 -21.766 46.7198 16.1484 46.72 6.60473 GPRESSAVG: 2401200 -14.2838 -4.25653 16.9146 -2.44919 -21.776 46.5931 15.9502 45.2576 6.11681 TIMING: 2401200 CPU: 6968.15, 0.00289607/step Wall: 6968.15, 0.00289607/step, 2.09064 hours remaining, 207.878906 MB of memory in use. ENERGY: 2401200 781.7321 2136.0679 1960.8934 115.0747 -205935.8096 17693.2121 0.0000 0.0000 34647.3747 -148601.4548 302.5841 -183248.8295 -148502.3909 301.0067 -0.6824 31.2137 558310.3604 -9.9400 -9.9810 PRESSURE: 2401400 -308.826 19.3633 134.556 19.3631 -88.1004 192.253 134.557 192.253 13.9042 GPRESSURE: 2401400 -270.926 55.6883 140.796 43.2936 -61.9606 38.6732 142.164 262.851 45.3389 PRESSAVG: 2401400 -2.08352 -8.12901 9.97381 -8.12893 -17.5786 78.9773 9.97385 78.9772 21.2664 GPRESSAVG: 2401400 -2.77082 -5.90105 8.90228 -9.70195 -17.3285 77.5003 11.6818 81.6862 20.8686 TIMING: 2401400 CPU: 6968.73, 0.00289825/step Wall: 6968.73, 0.00289825/step, 2.09206 hours remaining, 207.878906 MB of memory in use. ENERGY: 2401400 739.6070 2154.7173 1957.1063 110.0802 -205446.8692 17451.8893 0.0000 0.0000 34479.5803 -148553.8886 301.1188 -183033.4689 -148451.8701 300.7293 -127.6741 -95.8491 559196.3015 0.5348 0.2564 PRESSURE: 2401600 8.39923 -115.903 56.5737 -115.903 -129.196 -99.2123 56.5726 -99.2133 74.1633 GPRESSURE: 2401600 5.72444 -133.254 79.7226 -138.692 -89.6257 -32.1346 48.3404 -48.227 125.248 PRESSAVG: 2401600 45.0829 -40.5918 -68.7712 -40.5918 4.48399 -21.894 -68.7712 -21.894 -11.3924 GPRESSAVG: 2401600 43.4441 -42.1405 -69.4761 -40.6315 3.9781 -22.5504 -69.5478 -22.2695 -9.15895 TIMING: 2401600 CPU: 6969.31, 0.00287269/step Wall: 6969.31, 0.00287269/step, 2.07344 hours remaining, 207.878906 MB of memory in use. ENERGY: 2401600 795.6328 2142.4228 1952.7072 126.3584 -205696.5092 17847.1629 0.0000 0.0000 34208.9852 -148623.2401 298.7556 -182832.2252 -148530.5162 300.3491 -15.5444 13.7822 560039.0918 12.7248 12.7544 PRESSURE: 2401800 39.6866 95.8359 14.663 95.8363 -100.781 90.1155 14.6624 90.1156 -192.769 GPRESSURE: 2401800 96.94 23.8622 18.2239 113.256 -15.4667 -8.10705 54.1612 189.261 -232.891 PRESSAVG: 2401800 35.9779 4.14347 -63.7424 4.14345 25.8852 25.8839 -63.7423 25.8838 -83.7605 GPRESSAVG: 2401800 37.6002 4.13649 -63.4121 3.6448 25.7621 25.9054 -63.7829 25.9186 -85.8161 TIMING: 2401800 CPU: 6969.89, 0.00289753/step Wall: 6969.89, 0.00289753/step, 2.09121 hours remaining, 207.878906 MB of memory in use. ENERGY: 2401800 728.0626 2103.6969 1954.6603 104.4538 -206116.0503 17876.6935 0.0000 0.0000 34528.3501 -148820.1330 301.5447 -183348.4832 -148716.4595 300.2297 -84.6213 -50.4724 559948.6789 -7.2991 -7.4846 PRESSURE: 2402000 65.5153 -28.4965 115.818 -28.4958 -140.692 5.93959 115.818 5.94056 -245.308 GPRESSURE: 2402000 70.8118 -95.4325 140.494 -27.2322 -113.231 -58.7842 134.684 -45.8988 -185.489 PRESSAVG: 2402000 -20.8603 -17.4622 -45.3774 -17.4623 71.8697 4.63251 -45.3775 4.63254 -21.7077 GPRESSAVG: 2402000 -21.2635 -15.7759 -45.6762 -17.3371 71.1822 3.45686 -45.1368 5.60493 -20.9874 TIMING: 2402000 CPU: 6970.47, 0.00292326/step Wall: 6970.47, 0.00292326/step, 2.10962 hours remaining, 207.878906 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: 2402000 756.3608 2059.5760 1991.3981 121.9536 -205671.4974 17448.8991 0.0000 0.0000 34316.9829 -148976.3270 299.6987 -183293.3099 -148877.0007 300.6148 -106.8283 -75.9695 557191.9391 9.7672 9.6438 PRESSURE: 2402200 -267.592 -101.282 -99.913 -101.283 -158.997 150.434 -99.9134 150.434 -470.471 GPRESSURE: 2402200 -273.953 -52.4575 -134.41 -99.25 -128.626 230.914 -125.093 -0.0904761 -391.205 PRESSAVG: 2402200 20.2721 -18.4383 20.7656 -18.4384 -17.0961 58.6805 20.7655 58.6804 -7.79151 GPRESSAVG: 2402200 19.4418 -20.3275 19.3664 -19.2461 -15.7663 62.1693 20.4462 56.8297 -8.22439 TIMING: 2402200 CPU: 6971.06, 0.0029354/step Wall: 6971.06, 0.0029354/step, 2.11822 hours remaining, 207.878906 MB of memory in use. ENERGY: 2402200 761.3718 2103.3748 1983.7341 113.9085 -205652.2512 17426.6146 0.0000 0.0000 34349.6420 -148913.6054 299.9840 -183263.2473 -148816.4237 300.7559 -299.0202 -264.5945 558131.1734 -1.5385 -1.5163 PRESSURE: 2402400 -59.3238 21.9414 -49.4566 21.9411 54.2991 -123.243 -49.4572 -123.242 -256.063 GPRESSURE: 2402400 -24.2178 49.7743 -100.124 56.6682 114.463 -70.8927 -0.965293 -113.553 -242.717 PRESSAVG: 2402400 -18.5042 -54.9358 10.4427 -54.9357 21.9147 0.318507 10.4427 0.318543 14.9634 GPRESSAVG: 2402400 -17.7656 -55.1515 11.8756 -54.111 22.8954 -1.41143 10.2529 2.63433 13.5843 TIMING: 2402400 CPU: 6971.64, 0.00289349/step Wall: 6971.64, 0.00289349/step, 2.08781 hours remaining, 207.878906 MB of memory in use. ENERGY: 2402400 758.3713 2019.0094 1946.9367 116.1573 -206162.3179 17873.7988 0.0000 0.0000 34409.5564 -149038.4880 300.5072 -183448.0444 -148941.9146 300.1363 -87.0291 -50.8237 558788.6215 6.1246 6.2380 PRESSURE: 2402600 340.386 -5.48322 -119.35 -5.48321 -220.948 -54.2853 -119.35 -54.286 -210.31 GPRESSURE: 2402600 337.188 15.764 -76.2565 -38.0962 -176.479 5.27684 -196.86 -69.614 -157.726 PRESSAVG: 2402600 29.1629 14.2073 22.0443 14.2072 -52.4802 -26.9394 22.0443 -26.9393 5.18721 GPRESSAVG: 2402600 28.5923 13.6489 22.0631 14.7323 -52.7868 -27.086 21.944 -28.0909 6.082 TIMING: 2402600 CPU: 6972.22, 0.00289855/step Wall: 6972.22, 0.00289855/step, 2.09131 hours remaining, 207.878906 MB of memory in use. ENERGY: 2402600 726.6924 2103.7150 1981.1652 101.8524 -206169.4505 17878.8870 0.0000 0.0000 34274.7214 -149102.4171 299.3297 -183377.1384 -149004.3721 299.1484 -30.2906 0.9943 559383.2683 -6.0434 -6.0375 PRESSURE: 2402800 124.375 -11.4448 124.598 -11.4456 -53.2857 37.3915 124.596 37.3907 -74.8103 GPRESSURE: 2402800 96.3649 -30.8682 13.8881 75.0901 -0.387878 71.1696 174.5 60.1611 -4.94472 PRESSAVG: 2402800 61.9199 41.6383 -4.28703 41.6383 -43.4569 -1.71889 -4.28699 -1.71891 7.48816 GPRESSAVG: 2402800 61.5633 42.0703 -3.78042 41.6648 -44.1308 -2.72654 -5.58607 -2.45823 8.52545 TIMING: 2402800 CPU: 6972.79, 0.00288727/step Wall: 6972.79, 0.00288727/step, 2.08301 hours remaining, 207.878906 MB of memory in use. ENERGY: 2402800 717.1042 2159.2012 1948.0641 106.3585 -206389.8476 17934.5526 0.0000 0.0000 34253.5999 -149270.9669 299.1452 -183524.5669 -149166.4444 299.2561 -1.2404 30.3441 558380.3423 8.6504 8.6527 PRESSURE: 2403000 37.1557 140.392 -8.5201 140.391 -122.157 197.77 -8.52072 197.77 -41.1616 GPRESSURE: 2403000 73.0967 162.245 23.421 144.686 -100.788 237.81 -53.7615 241.628 0.467508 PRESSAVG: 2403000 -22.8934 -6.46681 14.4495 -6.46687 -38.2215 0.734318 14.4495 0.734326 78.104 GPRESSAVG: 2403000 -22.968 -7.01581 12.8727 -7.13257 -38.2849 4.10604 15.8556 1.68464 78.4176 TIMING: 2403000 CPU: 6973.37, 0.00288734/step Wall: 6973.37, 0.00288734/step, 2.08289 hours remaining, 207.949219 MB of memory in use. ENERGY: 2403000 737.1671 2141.9385 1963.8953 108.7198 -206247.3382 17814.5553 0.0000 0.0000 34177.8176 -149303.2445 298.4834 -183481.0620 -149207.2456 299.0172 -42.0541 -9.0746 558182.3967 5.6630 5.7215 PRESSURE: 2403200 65.7113 -80.312 118.169 -80.3102 32.2215 -63.1175 118.17 -63.1181 -18.3541 GPRESSURE: 2403200 73.6535 -53.8914 96.1939 -110.376 27.2179 -64.8151 166.933 -58.3474 73.7905 PRESSAVG: 2403200 -79.1257 19.7188 16.1104 19.7188 15.8793 6.83631 16.1105 6.83617 84.6442 GPRESSAVG: 2403200 -79.6536 20.3028 15.4995 20.9479 15.9396 4.33485 15.8637 7.51074 84.6134 TIMING: 2403200 CPU: 6973.95, 0.00289961/step Wall: 6973.95, 0.00289961/step, 2.09159 hours remaining, 207.949219 MB of memory in use. ENERGY: 2403200 721.1000 2117.7724 1995.0270 108.8490 -206009.7551 17666.2302 0.0000 0.0000 34211.1145 -149189.6620 298.7742 -183400.7765 -149091.1268 299.2713 26.5262 58.2206 556941.8226 7.1326 6.9665 PRESSURE: 2403400 -83.798 -109.974 -170.403 -109.974 -218.501 166.488 -170.403 166.488 -12.1551 GPRESSURE: 2403400 -51.6971 -196.683 -87.7567 35.1802 -143.083 152.793 -155.029 207.208 -15.4526 PRESSAVG: 2403400 -19.6984 -2.05595 -26.802 -2.05599 60.2581 28.673 -26.802 28.6731 -7.43112 GPRESSAVG: 2403400 -18.5004 -1.57004 -24.6337 -1.99728 59.3707 29.9013 -24.966 25.2718 -7.35906 TIMING: 2403400 CPU: 6974.53, 0.00289096/step Wall: 6974.53, 0.00289096/step, 2.08519 hours remaining, 207.949219 MB of memory in use. ENERGY: 2403400 781.3049 2092.9244 1974.2333 119.6160 -206048.7219 17782.1551 0.0000 0.0000 33995.5044 -149302.9837 296.8912 -183298.4881 -149203.5928 299.3013 -104.8180 -70.0777 557119.3340 11.0429 11.1704 PRESSURE: 2403600 296.784 -29.4768 -46.1268 -29.4765 -219.308 -39.5692 -46.1259 -39.5689 -14.4744 GPRESSURE: 2403600 317.738 -51.794 -14.9596 -13.0822 -218.229 40.2587 -89.4015 -42.2309 55.5151 PRESSAVG: 2403600 -32.2777 16.6506 -34.9914 16.6506 29.9586 54.3728 -34.9913 54.3727 -1.38858 GPRESSAVG: 2403600 -31.151 15.9452 -37.0275 16.313 29.5823 54.2462 -36.2112 57.4878 -2.21704 TIMING: 2403600 CPU: 6975.11, 0.00290423/step Wall: 6975.11, 0.00290423/step, 2.09459 hours remaining, 207.949219 MB of memory in use. ENERGY: 2403600 784.1897 2089.8458 1984.0267 123.5811 -206388.8820 17981.2715 0.0000 0.0000 34186.9692 -149238.9981 298.5633 -183425.9673 -149143.2759 298.9461 21.0007 51.6747 558083.1553 -1.2359 -1.2619 PRESSURE: 2403800 -191.108 41.6139 -137.908 41.6135 -22.6996 98.49 -137.908 98.4907 202.276 GPRESSURE: 2403800 -162.909 102.336 -112.34 -3.15432 40.1173 173.581 -255.398 62.3365 216.51 PRESSAVG: 2403800 17.5459 19.8809 -35.9563 19.8809 4.9705 66.1574 -35.9563 66.1574 -26.1316 GPRESSAVG: 2403800 15.1241 18.2983 -34.3431 20.7265 6.6885 65.3451 -37.5001 65.8543 -25.9809 TIMING: 2403800 CPU: 6975.69, 0.0029182/step Wall: 6975.69, 0.0029182/step, 2.10451 hours remaining, 207.949219 MB of memory in use. ENERGY: 2403800 773.5573 2053.3403 1995.9246 115.5817 -206028.5135 17729.7532 0.0000 0.0000 34284.4093 -149075.9471 299.4143 -183360.3564 -148976.1744 298.8153 -3.8441 31.2393 557100.0351 -1.2051 -1.3894 PRESSURE: 2404000 -12.9499 47.2012 -79.333 47.2023 40.6554 -71.2317 -79.3322 -71.2315 167.587 GPRESSURE: 2404000 45.7151 71.6541 -78.6922 -47.511 84.3433 -101.453 -74.7354 -48.3557 150.548 PRESSAVG: 2404000 -48.9629 33.2405 -38.6163 33.2406 -6.02904 2.87304 -38.6163 2.87292 20.2139 GPRESSAVG: 2404000 -48.376 36.3343 -39.1637 30.137 -7.01093 4.35734 -38.1521 3.769 19.5657 TIMING: 2404000 CPU: 6976.28, 0.00291218/step Wall: 6976.28, 0.00291218/step, 2.1 hours remaining, 207.960938 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: 2404000 769.3215 2126.3822 1976.3684 125.4191 -206588.5827 17984.0105 0.0000 0.0000 34532.5541 -149074.5269 301.5814 -183607.0810 -148977.7287 299.2611 65.0977 93.5355 555626.8361 -11.5927 -11.9404 PRESSURE: 2404200 -125.287 -25.6969 -92.9953 -25.695 -162.533 -103.731 -92.9941 -103.73 50.0248 GPRESSURE: 2404200 -74.032 -19.0548 -93.9977 -32.3062 -91.2756 -97.2998 4.48707 -73.4693 33.3282 PRESSAVG: 2404200 25.2016 37.7676 26.3586 37.7676 54.7314 28.4223 26.3586 28.4223 -27.9466 GPRESSAVG: 2404200 25.0942 37.5815 25.6274 39.4027 55.4477 26.5201 26.5607 27.4725 -27.87 TIMING: 2404200 CPU: 6976.86, 0.00290362/step Wall: 6976.86, 0.00290362/step, 2.09367 hours remaining, 207.960938 MB of memory in use. ENERGY: 2404200 803.6052 2115.0810 1979.8792 111.1374 -206072.4621 17827.6639 0.0000 0.0000 34057.1234 -149177.9720 297.4293 -183235.0954 -149077.8615 299.6487 -79.2650 -43.9932 558377.3474 17.3288 17.5573 LDB: ============= START OF LOAD BALANCING ============== 6980.32 LDB: ============== END OF LOAD BALANCING =============== 6980.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6980.32 LDB: ============= START OF LOAD BALANCING ============== 6980.61 LDB: Largest compute 4821 load 0.031190 is 26.5% of average load 0.117797 LDB: Average compute 0.001712 is 1.5% of average load 0.117797 LDB: TIME 6980.62 LOAD: AVG 0.117797 MAX 0.180733 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.617 MB LDB: TIME 6980.62 LOAD: AVG 0.117797 MAX 0.180733 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: TIME 6980.62 LOAD: AVG 0.117797 MAX 0.180733 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.617 MB LDB: ============== END OF LOAD BALANCING =============== 6980.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6980.62 PRESSURE: 2404400 190.963 158.27 -76.6432 158.271 41.0064 -3.1696 -76.6445 -3.16889 38.8745 GPRESSURE: 2404400 221.449 180.091 -94.5456 106.133 76.6273 9.54517 -124.828 -30.9217 61.0927 PRESSAVG: 2404400 44.3932 26.5375 39.4574 26.5375 -13.0582 14.794 39.4575 14.7941 -40.9206 GPRESSAVG: 2404400 43.722 24.474 40.0372 28.2315 -12.6067 14.8063 39.3355 13.4064 -40.2619 TIMING: 2404400 CPU: 6977.45, 0.0029536/step Wall: 6977.45, 0.0029536/step, 2.12954 hours remaining, 205.960938 MB of memory in use. ENERGY: 2404400 752.9178 2104.0266 1951.9460 109.3678 -206178.5227 17818.7099 0.0000 0.0000 34328.6792 -149112.8755 299.8009 -183441.5546 -149017.6196 299.2625 90.2812 119.7230 557669.8572 -3.1952 -3.0488 PRESSURE: 2404600 51.103 -103.984 151.457 -103.984 18.4966 23.3461 151.458 23.3465 -159.132 GPRESSURE: 2404600 87.0316 9.23355 180.701 -36.6832 29.2876 -16.3103 152.069 45.4165 -118.632 PRESSAVG: 2404600 13.6818 16.8966 36.2998 16.8966 94.4911 5.78752 36.2999 5.78752 -37.1795 GPRESSAVG: 2404600 14.5319 17.0312 37.207 15.9383 94.0953 5.00879 36.8048 7.08321 -38.4926 TIMING: 2404600 CPU: 6978.03, 0.00292625/step Wall: 6978.03, 0.00292625/step, 2.10966 hours remaining, 206.203125 MB of memory in use. ENERGY: 2404600 757.7816 2072.8758 1950.9396 107.4990 -205958.7625 17665.4255 0.0000 0.0000 34267.5162 -149136.7248 299.2667 -183404.2410 -149045.4271 299.1491 -29.8442 -0.7710 557062.3401 23.6645 23.3782 PRESSURE: 2404800 -140.481 16.3722 -55.8109 16.3725 148.488 163.358 -55.81 163.358 -221.108 GPRESSURE: 2404800 -148.612 57.3628 -88.3349 -42.2611 209.296 146.585 -71.3415 233.174 -179.247 PRESSAVG: 2404800 3.82403 5.86545 28.8152 5.86556 69.1945 14.1932 28.8152 14.1932 -62.171 GPRESSAVG: 2404800 3.21196 6.10035 26.6859 5.0597 69.4898 13.0367 28.9308 16.2598 -62.1152 TIMING: 2404800 CPU: 6978.61, 0.0028925/step Wall: 6978.61, 0.0028925/step, 2.08517 hours remaining, 206.203125 MB of memory in use. ENERGY: 2404800 727.6565 2144.0150 1965.4184 110.3596 -206174.7811 17633.1476 0.0000 0.0000 34310.2879 -149283.8961 299.6403 -183594.1840 -149194.4056 299.4026 -71.0337 -39.5211 556477.1563 3.6159 3.5288 PRESSURE: 2405000 -351.711 60.2021 -10.2877 60.2018 -139.264 -29.4684 -10.2873 -29.4678 -135.964 GPRESSURE: 2405000 -278.802 57.969 -70.4095 42.4014 -126.383 20.4727 -22.0335 -78.0321 -129.278 PRESSAVG: 2405000 -12.8346 -9.35199 -71.0814 -9.35192 74.6364 7.90944 -71.0815 7.90939 -44.3001 GPRESSAVG: 2405000 -11.7553 -7.14921 -69.7006 -9.41319 73.1087 11.5578 -71.3719 5.81137 -43.8848 TIMING: 2405000 CPU: 6979.19, 0.00290656/step Wall: 6979.19, 0.00290656/step, 2.09514 hours remaining, 206.203125 MB of memory in use. ENERGY: 2405000 765.4943 2115.2066 1942.8995 103.9260 -206224.4165 17558.9420 0.0000 0.0000 34444.0849 -149293.8631 300.8088 -183737.9480 -149194.4786 299.1544 -208.9795 -178.1542 557210.1001 5.8339 5.8229 PRESSURE: 2405200 187.206 16.0737 23.3802 16.073 -67.7044 0.77699 23.3814 0.777279 -92.8571 GPRESSURE: 2405200 198.281 94.7451 3.51615 -48.0946 -25.671 11.6815 114.151 -31.3551 -54.8025 PRESSAVG: 2405200 -33.8454 -17.5675 -16.8523 -17.5675 4.63972 7.37683 -16.8523 7.37694 -31.1346 GPRESSAVG: 2405200 -35.0392 -20.4694 -16.7195 -16.2463 5.17245 4.75696 -16.7003 7.50424 -30.1745 TIMING: 2405200 CPU: 6979.77, 0.00288669/step Wall: 6979.77, 0.00288669/step, 2.08066 hours remaining, 206.203125 MB of memory in use. ENERGY: 2405200 732.8620 2088.6149 1945.7684 120.2963 -206122.4162 17813.1579 0.0000 0.0000 34193.1831 -149228.5336 298.6176 -183421.7167 -149127.8673 299.0678 8.8817 39.2690 557353.8523 -20.1134 -20.0138 PRESSURE: 2405400 123.588 -85.3603 57.5225 -85.3603 -61.5291 94.4394 57.5221 94.4391 220.822 GPRESSURE: 2405400 209.426 -203.754 92.3464 -58.4482 -106.142 77.0548 48.5918 118.202 289.006 PRESSAVG: 2405400 59.7215 -40.2784 30.0511 -40.2784 47.7196 34.2953 30.0511 34.2951 -55.6676 GPRESSAVG: 2405400 60.2659 -39.6388 30.6022 -42.7476 49.1154 35.2823 30.2151 36.4294 -56.9218 TIMING: 2405400 CPU: 6980.35, 0.00288786/step Wall: 6980.35, 0.00288786/step, 2.08134 hours remaining, 206.203125 MB of memory in use. ENERGY: 2405400 780.0758 2072.8039 1962.9803 114.8512 -206543.8642 18030.8690 0.0000 0.0000 34322.8326 -149259.4513 299.7498 -183582.2839 -149161.0568 299.4858 94.2936 130.7633 556619.3472 17.2578 17.4865 PRESSURE: 2405600 245.5 183.749 91.7903 183.748 3.7623 38.3746 91.7904 38.3745 -47.9886 GPRESSURE: 2405600 253.282 108.804 58.2691 182.526 37.5129 13.3451 82.7785 44.6029 12.4913 PRESSAVG: 2405600 -5.46193 16.166 16.1799 16.166 6.47763 -10.5768 16.18 -10.5768 9.75948 GPRESSAVG: 2405600 -4.28061 16.2296 16.1617 18.2805 4.61281 -9.58747 15.154 -13.038 10.4837 TIMING: 2405600 CPU: 6980.93, 0.00290148/step Wall: 6980.93, 0.00290148/step, 2.091 hours remaining, 206.203125 MB of memory in use. ENERGY: 2405600 738.8519 2098.1893 1967.5744 106.1946 -206275.8885 17829.0086 0.0000 0.0000 34325.4793 -149210.5904 299.7729 -183536.0697 -149112.0309 299.8123 67.0912 101.0953 555757.7778 3.5917 3.6053 PRESSURE: 2405800 3.81331 48.9847 -111.886 48.9841 -183.737 94.5376 -111.885 94.5387 -201.936 GPRESSURE: 2405800 2.27983 27.1066 -29.8099 131.093 -104.591 38.1291 -113.717 94.729 -173.641 PRESSAVG: 2405800 73.4973 53.737 -71.3534 53.737 0.137908 42.6695 -71.3534 42.6694 -74.3777 GPRESSAVG: 2405800 72.4969 55.9585 -70.0682 52.313 0.883405 41.4942 -71.0688 41.5386 -74.2528 TIMING: 2405800 CPU: 6981.51, 0.00289232/step Wall: 6981.51, 0.00289232/step, 2.08424 hours remaining, 206.203125 MB of memory in use. ENERGY: 2405800 720.7588 2097.4411 1971.3937 106.0612 -206047.6659 17579.1393 0.0000 0.0000 34129.8307 -149443.0410 298.0643 -183572.8717 -149347.7093 299.4360 -127.2865 -91.9842 557123.6885 -0.2475 -0.2909 PRESSURE: 2406000 -68.4979 79.1529 -132.243 79.1528 182.797 63.8261 -132.242 63.825 -156.324 GPRESSURE: 2406000 45.8402 101.474 -124.293 66.6244 152.565 131.876 -205.65 68.7892 -143.902 PRESSAVG: 2406000 43.6312 -71.0661 -14.1214 -71.0661 -5.53446 -7.80894 -14.1215 -7.80885 -54.1418 GPRESSAVG: 2406000 44.8928 -71.8602 -14.8536 -71.954 -4.77092 -9.58648 -14.1861 -5.05181 -55.795 TIMING: 2406000 CPU: 6982.09, 0.00290376/step Wall: 6982.09, 0.00290376/step, 2.09232 hours remaining, 206.203125 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: 2406000 756.7345 2030.6800 1978.1013 112.8180 -206288.3530 17730.6695 0.0000 0.0000 34105.7189 -149573.6308 297.8537 -183679.3497 -149476.4530 298.5946 -14.0082 18.1675 555528.2138 -5.3483 -5.2244 PRESSURE: 2406200 -77.7694 26.3277 -26.2681 26.3275 -343.097 -7.78814 -26.2681 -7.78878 -99.6349 GPRESSURE: 2406200 -61.6571 -31.2882 -153.699 56.9511 -274.458 -20.6595 -37.4554 -41.6088 -87.5138 PRESSAVG: 2406200 -22.1223 -9.79109 -51.2871 -9.79107 34.8976 -3.16506 -51.2871 -3.16504 -53.7588 GPRESSAVG: 2406200 -22.4352 -11.2779 -53.5465 -7.37592 33.6282 -2.25332 -51.1094 -5.22676 -52.6454 TIMING: 2406200 CPU: 6982.67, 0.00290192/step Wall: 6982.67, 0.00290192/step, 2.09083 hours remaining, 206.203125 MB of memory in use. ENERGY: 2406200 734.6489 2070.7685 1938.0611 105.9270 -206047.3553 17464.3396 0.0000 0.0000 34067.9249 -149665.6853 297.5237 -183733.6102 -149568.3829 297.6724 -173.5005 -141.2096 557091.6495 -13.6612 -13.8175 PRESSURE: 2406400 171.939 137.323 -104.09 137.323 106.101 -51.2454 -104.089 -51.2461 227.335 GPRESSURE: 2406400 156.295 129.102 -84.5589 184.118 191.727 -55.4131 -68.2704 -30.3283 246.712 PRESSAVG: 2406400 -59.9593 0.922728 -9.95542 0.922724 19.4042 36.1077 -9.95533 36.1079 38.8164 GPRESSAVG: 2406400 -62.4603 2.13256 -7.8804 0.656998 21.6191 36.3502 -11.2508 36.3133 38.9424 TIMING: 2406400 CPU: 6983.25, 0.00289485/step Wall: 6983.25, 0.00289485/step, 2.08558 hours remaining, 206.203125 MB of memory in use. ENERGY: 2406400 726.1100 2091.5266 1984.3754 102.7707 -206004.9286 17880.3202 0.0000 0.0000 33804.7858 -149415.0400 295.2256 -183219.8257 -149320.6950 297.8752 168.4583 198.2449 557452.8029 -0.5796 -0.6329 PRESSURE: 2406600 15.9751 -73.6964 -88.9181 -73.696 40.2692 -66.4201 -88.9169 -66.4205 246.52 GPRESSURE: 2406600 61.4852 -27.5235 -61.4264 -144.874 58.8604 -25.0846 -97.084 -36.7085 271.068 PRESSAVG: 2406600 7.09459 1.05346 -4.49649 1.05348 42.8506 20.579 -4.49649 20.5789 -27.1072 GPRESSAVG: 2406600 9.51582 1.50561 -5.39668 0.266961 40.3514 21.9391 -2.15107 21.5327 -27.2162 TIMING: 2406600 CPU: 6983.82, 0.00288356/step Wall: 6983.82, 0.00288356/step, 2.07728 hours remaining, 206.203125 MB of memory in use. ENERGY: 2406600 748.9541 2015.5902 1968.0170 116.6367 -206710.4835 18115.1305 0.0000 0.0000 34357.0789 -149389.0761 300.0489 -183746.1550 -149289.1585 298.8351 100.9214 130.4711 556588.7775 7.6127 7.5503 PRESSURE: 2406800 -155.938 -79.4381 -146.267 -79.4369 -49.6788 -62.4672 -146.267 -62.4683 -121.183 GPRESSURE: 2406800 -145.663 -11.0023 -129.875 -186.84 -16.4868 -93.4682 -134.16 -80.4674 -70.2829 PRESSAVG: 2406800 58.59 -5.2394 17.9261 -5.23936 -50.9288 62.5947 17.9261 62.5947 13.5634 GPRESSAVG: 2406800 58.456 -6.14623 18.1903 -4.81644 -50.2589 60.065 16.2861 60.5935 13.1644 TIMING: 2406800 CPU: 6984.4, 0.00288452/step Wall: 6984.4, 0.00288452/step, 2.07782 hours remaining, 206.203125 MB of memory in use. ENERGY: 2406800 728.8939 2074.7106 1975.4307 111.5785 -205915.3818 17616.8936 0.0000 0.0000 34043.3360 -149364.5383 297.3089 -183407.8743 -149266.2510 298.1952 -108.9332 -77.4774 558536.2575 7.0749 7.1205 PRESSURE: 2407000 45.2632 27.7838 30.1078 27.7862 -50.2109 64.9204 30.1098 64.921 170.255 GPRESSURE: 2407000 60.9846 37.2439 8.88706 10.8864 28.3692 129.969 5.76241 33.7994 178.556 PRESSAVG: 2407000 -32.7963 14.3073 10.2891 14.3074 22.7093 52.6499 10.2891 52.6497 -15.6174 GPRESSAVG: 2407000 -33.6052 15.1949 10.9056 13.623 23.5232 54.7065 10.0751 52.6246 -15.9614 TIMING: 2407000 CPU: 6984.98, 0.00288966/step Wall: 6984.98, 0.00288966/step, 2.08136 hours remaining, 206.203125 MB of memory in use. ENERGY: 2407000 738.0436 2090.8025 1947.1411 106.1289 -206412.7487 18014.2074 0.0000 0.0000 34226.8821 -149289.5431 298.9119 -183516.4253 -149186.3596 298.9371 55.1025 89.3032 558933.1273 -8.5681 -8.6811 PRESSURE: 2407200 -160.808 109.501 146.06 109.501 -284.74 46.8591 146.061 46.8603 -231.832 GPRESSURE: 2407200 -151.008 67.2498 198.771 143.954 -247.532 104.618 87.6309 88.8355 -181.209 PRESSAVG: 2407200 94.7051 39.5038 13.1844 39.5039 -71.738 -16.7767 13.1843 -16.7767 19.3664 GPRESSAVG: 2407200 93.2793 38.1673 11.733 39.1331 -70.7995 -18.2043 13.861 -16.7064 19.5895 TIMING: 2407200 CPU: 6985.55, 0.00288576/step Wall: 6985.55, 0.00288576/step, 2.07839 hours remaining, 206.203125 MB of memory in use. ENERGY: 2407200 766.1596 2095.9522 1957.5354 110.1858 -205985.7280 17613.0338 0.0000 0.0000 34284.1684 -149158.6929 299.4122 -183442.8613 -149065.8986 300.2977 -225.7935 -193.2499 559703.8524 14.1112 14.0231 PRESSURE: 2407400 -241.391 -31.0491 129.538 -31.0499 115.709 70.5174 129.539 70.5158 -97.3036 GPRESSURE: 2407400 -205.669 -31.5957 82.6482 -35.2008 152.393 -84.0175 133.756 132.582 -71.9839 PRESSAVG: 2407400 13.1163 41.0664 58.6417 41.0665 -24.5617 46.4231 58.6416 46.4231 17.416 GPRESSAVG: 2407400 14.4235 40.849 57.174 41.8457 -25.3054 46.8567 58.9618 45.992 15.9868 TIMING: 2407400 CPU: 6986.14, 0.0029217/step Wall: 6986.14, 0.0029217/step, 2.10411 hours remaining, 206.203125 MB of memory in use. ENERGY: 2407400 778.8544 2129.0801 1972.9149 105.7917 -205921.1596 17720.0154 0.0000 0.0000 34284.7875 -148929.7155 299.4176 -183214.5031 -148832.2397 299.6171 -74.3286 -41.7532 559350.4258 1.9902 1.7017 PRESSURE: 2407600 -165.828 -72.5284 110.127 -72.5283 170.799 -8.74205 110.126 -8.74417 -147.072 GPRESSURE: 2407600 -102.467 -55.4991 118.737 -83.7225 174.034 -58.6141 86.0583 -22.5151 -124.738 PRESSAVG: 2407600 -1.12937 6.9422 67.514 6.94222 -25.8545 -32.6216 67.5139 -32.6216 4.69479 GPRESSAVG: 2407600 -0.887376 6.90371 68.9981 6.88762 -26.713 -33.9366 66.507 -31.728 5.66676 TIMING: 2407600 CPU: 6986.72, 0.00290465/step Wall: 6986.72, 0.00290465/step, 2.09167 hours remaining, 206.203125 MB of memory in use. ENERGY: 2407600 763.3967 2069.9324 1976.1597 119.8463 -206115.2852 17669.8123 0.0000 0.0000 34624.6326 -148891.5052 302.3855 -183516.1378 -148796.9892 300.2911 -47.3672 -17.7237 557645.7132 -7.4297 -7.3112 PRESSURE: 2407800 174.882 -130.537 42.2893 -130.536 -31.0307 -100.274 42.2892 -100.273 181.505 GPRESSURE: 2407800 244.808 -180.286 84.7635 -77.8993 -58.735 -173.867 -51.8466 -88.4647 235.581 PRESSAVG: 2407800 1.45703 -25.6352 -13.091 -25.6351 24.7636 2.08195 -13.0911 2.08206 4.78944 GPRESSAVG: 2407800 1.83373 -24.8621 -12.4254 -26.2238 24.7554 2.35059 -12.0626 2.42677 4.18935 TIMING: 2407800 CPU: 6987.3, 0.00290584/step Wall: 6987.3, 0.00290584/step, 2.09237 hours remaining, 206.203125 MB of memory in use. ENERGY: 2407800 727.7693 2137.7096 1963.5918 109.5272 -205965.2150 17597.1604 0.0000 0.0000 34477.1042 -148952.3525 301.0971 -183429.4567 -148851.6063 300.5977 108.4522 140.5514 555930.7787 10.3367 10.2595 PRESSURE: 2408000 37.6039 -101.839 97.1156 -101.839 76.5117 160.953 97.1156 160.951 222.855 GPRESSURE: 2408000 79.3144 -73.3104 82.7242 -57.7824 133.858 164.276 116.918 212.686 227.036 PRESSAVG: 2408000 55.0189 -18.4011 35.3577 -18.4012 -44.5204 -15.324 35.3577 -15.324 10.9807 GPRESSAVG: 2408000 54.9257 -19.4361 35.905 -18.5133 -43.9265 -14.4085 34.5951 -15.286 10.5185 TIMING: 2408000 CPU: 6987.88, 0.00290549/step Wall: 6987.88, 0.0029055/step, 2.09196 hours remaining, 206.203125 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: 2408000 746.6018 2087.7424 1971.0918 115.0810 -205991.2768 17949.4925 0.0000 0.0000 34090.8837 -149030.3837 297.7242 -183121.2674 -148936.2784 299.7333 112.3236 146.7361 558157.6654 7.1597 7.1726 PRESSURE: 2408200 135.607 10.5911 53.2841 10.5905 119.023 94.7824 53.2841 94.7838 97.0073 GPRESSURE: 2408200 108.086 5.10136 42.4426 62.7908 147.257 19.0424 77.9496 192.934 177.302 PRESSAVG: 2408200 -27.1157 -32.2904 8.12097 -32.2904 9.37172 24.2385 8.12099 24.2385 55.9555 GPRESSAVG: 2408200 -27.1441 -32.0384 6.64843 -31.9438 9.6661 26.8395 9.66062 20.8041 55.8435 TIMING: 2408200 CPU: 6988.46, 0.00290455/step Wall: 6988.46, 0.00290455/step, 2.09112 hours remaining, 206.203125 MB of memory in use. ENERGY: 2408200 734.4855 2056.1584 1955.2140 116.8876 -206150.7718 17950.5881 0.0000 0.0000 34407.6078 -148929.8304 300.4902 -183337.4382 -148830.7436 299.7327 117.2125 144.2154 558932.5990 12.7372 12.7885 LDB: ============= START OF LOAD BALANCING ============== 6991.93 LDB: ============== END OF LOAD BALANCING =============== 6991.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6991.93 LDB: ============= START OF LOAD BALANCING ============== 6992.22 LDB: Largest compute 4821 load 0.032162 is 27.3% of average load 0.117788 LDB: Average compute 0.001718 is 1.5% of average load 0.117788 LDB: TIME 6992.23 LOAD: AVG 0.117788 MAX 0.178717 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.699 MB LDB: TIME 6992.23 LOAD: AVG 0.117788 MAX 0.178717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: TIME 6992.23 LOAD: AVG 0.117788 MAX 0.178717 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6992.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6992.23 PRESSURE: 2408400 164.978 123.657 64.0317 123.657 147.821 209.8 64.0311 209.802 130.94 GPRESSURE: 2408400 223.405 152.626 79.6107 -33.5043 185.58 180.641 93.72 182.194 139.29 PRESSAVG: 2408400 50.2522 -27.7844 19.3442 -27.7844 -31.5521 54.9739 19.3443 54.9738 -33.602 GPRESSAVG: 2408400 51.1783 -24.9354 20.7624 -28.9997 -31.5164 50.7871 18.5687 59.0905 -34.0521 TIMING: 2408400 CPU: 6989.06, 0.00297843/step Wall: 6989.06, 0.00297843/step, 2.14414 hours remaining, 206.316406 MB of memory in use. ENERGY: 2408400 711.1474 2077.7107 1967.1927 111.9785 -205922.2442 17890.9312 0.0000 0.0000 34178.8461 -148984.4377 298.4924 -183163.2837 -148891.0799 299.0229 147.9132 182.7584 558807.5494 -4.9673 -4.7967 PRESSURE: 2408600 -214.502 118.692 87.534 118.693 -80.6574 -108.697 87.5336 -108.696 -285.231 GPRESSURE: 2408600 -192.345 111.741 78.7848 118.31 -53.8572 -94.8573 107.112 -118.059 -242.854 PRESSAVG: 2408600 50.1924 29.2376 31.3417 29.2376 2.51716 38.5863 31.3418 38.5864 -79.6471 GPRESSAVG: 2408600 49.8732 26.1092 30.7224 28.8482 0.883211 39.6419 30.2217 37.829 -77.8064 TIMING: 2408600 CPU: 6989.64, 0.00288691/step Wall: 6989.64, 0.00288691/step, 2.0781 hours remaining, 206.519531 MB of memory in use. ENERGY: 2408600 743.7778 2096.5931 1960.0059 113.6247 -205623.8844 17487.0382 0.0000 0.0000 34294.6177 -148928.2270 299.5034 -183222.8447 -148826.7319 299.0520 -193.4635 -163.0188 558877.8687 -8.9792 -9.0167 PRESSURE: 2408800 11.4961 -120.219 223.406 -120.221 -140.658 116.141 223.406 116.141 237.916 GPRESSURE: 2408800 77.3166 -72.9168 223.865 -102.574 -90.4442 200.143 167.821 104.593 222.744 PRESSAVG: 2408800 -78.8187 38.885 -15.626 38.885 26.121 -45.2593 -15.6261 -45.2594 38.8249 GPRESSAVG: 2408800 -79.8339 42.6291 -15.2131 39.2107 27.5975 -46.4147 -15.892 -41.7337 38.3112 TIMING: 2408800 CPU: 6990.22, 0.002916/step Wall: 6990.22, 0.002916/step, 2.09887 hours remaining, 206.519531 MB of memory in use. ENERGY: 2408800 712.8940 2075.8665 1961.6147 111.7443 -205903.7003 17818.4934 0.0000 0.0000 34215.0769 -149008.0105 298.8088 -183223.0874 -148908.9160 299.3020 36.2515 69.8722 559318.4832 -4.6243 -4.6417 PRESSURE: 2409000 -372.315 187.584 137.138 187.585 -338.878 -7.21314 137.137 -7.21263 -14.5945 GPRESSURE: 2409000 -297.37 157.977 35.1834 114.143 -263.282 -86.6182 142.352 22.3022 -65.8952 PRESSAVG: 2409000 25.5737 75.8201 -28.6813 75.82 -78.7697 -20.0966 -28.6812 -20.0967 30.0931 GPRESSAVG: 2409000 26.1481 73.506 -30.0513 76.5353 -79.8932 -18.9599 -25.5046 -20.3784 30.5446 TIMING: 2409000 CPU: 6990.8, 0.002893/step Wall: 6990.8, 0.002893/step, 2.08216 hours remaining, 206.519531 MB of memory in use. ENERGY: 2409000 720.0391 2128.4500 1956.1158 115.5057 -205551.1853 17449.9067 0.0000 0.0000 34149.1213 -149032.0467 298.2328 -183181.1679 -148934.1138 299.7786 -241.9291 -208.8490 559838.0129 -7.7010 -7.7335 PRESSURE: 2409200 221.58 -220.254 -18.1699 -220.253 86.3215 140.104 -18.1714 140.103 -25.8876 GPRESSURE: 2409200 249.178 -186.41 28.0449 -212.476 57.1285 133.443 -29.7552 134.837 84.1089 PRESSAVG: 2409200 -41.4405 39.1091 32.3364 39.109 -15.2961 16.6191 32.3363 16.6191 73.5986 GPRESSAVG: 2409200 -40.7267 40.7299 32.6684 38.1766 -16.2959 17.0547 31.2075 14.6758 74.2882 TIMING: 2409200 CPU: 6991.38, 0.00289251/step Wall: 6991.38, 0.00289251/step, 2.08164 hours remaining, 206.519531 MB of memory in use. ENERGY: 2409200 778.7537 2052.1880 1964.4521 120.6947 -206221.2104 17921.6364 0.0000 0.0000 34344.6837 -149038.8019 299.9407 -183383.4855 -148942.9344 299.3313 94.0046 130.1386 556984.5510 5.6207 5.7552 PRESSURE: 2409400 -100.905 24.2852 -56.7627 24.2854 -90.6966 -26.0314 -56.7626 -26.0312 -122.715 GPRESSURE: 2409400 -31.3311 48.0092 -26.2406 24.8722 -26.0033 57.3297 -8.02201 -58.6163 -153.677 PRESSAVG: 2409400 -8.83712 -9.82071 24.0461 -9.82066 -52.4786 -4.23673 24.0461 -4.23667 56.5508 GPRESSAVG: 2409400 -8.61905 -11.5205 26.2408 -8.62192 -50.4683 -3.79545 25.0897 -3.33538 54.8329 TIMING: 2409400 CPU: 6991.95, 0.00288254/step Wall: 6991.95, 0.00288254/step, 2.07431 hours remaining, 206.519531 MB of memory in use. ENERGY: 2409400 748.0736 2057.4955 1962.3464 106.7960 -205787.9478 17614.7375 0.0000 0.0000 34199.2555 -149099.2432 298.6706 -183298.4987 -149006.2021 299.5068 -104.7721 -70.3371 558137.3862 -1.5883 -1.4182 PRESSURE: 2409600 -93.5241 92.146 94.8435 92.1443 -221.949 -80.7105 94.8419 -80.7108 -182.509 GPRESSURE: 2409600 -21.0719 86.3077 88.5554 11.1204 -221.713 -39.3304 81.4044 -14.1316 -161.456 PRESSAVG: 2409600 119.194 3.11186 72.4741 3.11193 -52.9103 4.7307 72.4741 4.73073 -50.4834 GPRESSAVG: 2409600 118.491 4.91075 70.5044 1.02421 -54.7744 4.70668 71.687 4.02157 -48.0212 TIMING: 2409600 CPU: 6992.53, 0.00286971/step Wall: 6992.53, 0.00286971/step, 2.06491 hours remaining, 206.714844 MB of memory in use. ENERGY: 2409600 783.3572 2030.5858 1991.2505 115.7873 -205923.0373 17561.7377 0.0000 0.0000 34250.5613 -149189.7575 299.1187 -183440.3187 -149086.4927 298.8758 -165.9942 -134.7468 556991.2976 5.2668 5.2317 PRESSURE: 2409800 65.2669 -112.298 -94.5917 -112.297 -131.485 179.551 -94.592 179.551 214.93 GPRESSURE: 2409800 111.028 -35.2822 -49.8085 -146.176 -98.1714 187.156 -143.691 156.785 231.266 PRESSAVG: 2409800 78.7308 -49.608 36.8341 -49.608 -54.5089 -0.665103 36.8341 -0.665105 -58.9108 GPRESSAVG: 2409800 78.745 -51.2802 37.6863 -48.0296 -52.9547 -3.2091 36.4408 -0.236549 -60.3959 TIMING: 2409800 CPU: 6993.1, 0.00286214/step Wall: 6993.1, 0.00286214/step, 2.05931 hours remaining, 206.714844 MB of memory in use. ENERGY: 2409800 727.2285 2069.9168 1987.1039 106.4734 -206158.0765 17872.6338 0.0000 0.0000 34203.8087 -149190.9115 298.7104 -183394.7202 -149093.6113 299.1374 49.5706 81.3743 558844.4017 -11.5630 -11.5352 PRESSURE: 2410000 -70.0531 -146.438 111.296 -146.437 48.8971 57.7943 111.296 57.7929 80.9821 GPRESSURE: 2410000 -57.9236 -160.519 35.9591 -125.551 135.755 73.382 105.527 31.2293 77.1951 PRESSAVG: 2410000 8.45298 -12.4465 12.6772 -12.4465 50.6258 10.9603 12.6773 10.9603 -36.771 GPRESSAVG: 2410000 9.13049 -12.801 11.0751 -11.3266 49.6515 11.3054 15.048 11.4517 -36.0065 TIMING: 2410000 CPU: 6993.68, 0.00289555/step Wall: 6993.68, 0.00289555/step, 2.08319 hours remaining, 206.714844 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: 2410000 725.6292 2080.5846 1944.7073 131.2734 -206184.6158 17832.2328 0.0000 0.0000 34361.6035 -149108.5849 300.0884 -183470.1884 -149005.8485 299.5736 19.9420 51.6755 558097.8287 7.4359 7.5918 PRESSURE: 2410200 -101.23 -174.172 -67.7257 -174.171 -325.546 -146.703 -67.7249 -146.704 -253.758 GPRESSURE: 2410200 -56.4215 -191.616 -73.4369 -35.8743 -274.487 -65.2675 -121.94 -217.157 -247.446 PRESSAVG: 2410200 3.53608 -24.2625 -38.4679 -24.2625 3.32109 -11.9308 -38.4678 -11.9309 -34.8627 GPRESSAVG: 2410200 2.49015 -25.2525 -38.3622 -24.9391 3.72798 -10.5357 -40.9875 -12.5679 -34.5325 TIMING: 2410200 CPU: 6994.26, 0.00288784/step Wall: 6994.26, 0.00288784/step, 2.07748 hours remaining, 206.714844 MB of memory in use. ENERGY: 2410200 714.1965 2036.2271 1967.9684 113.2032 -205694.5886 17406.7741 0.0000 0.0000 34411.2639 -149044.9554 300.5221 -183456.2193 -148940.5404 299.8412 -226.8446 -192.7847 558770.7410 -9.3352 -9.4381 PRESSURE: 2410400 85.0262 79.6208 -357.932 79.6198 -53.7151 -173.9 -357.932 -173.901 109.257 GPRESSURE: 2410400 68.3137 58.5886 -439.463 39.0858 -31.893 -139.894 -387.175 -180.026 188.789 PRESSAVG: 2410400 9.12223 -4.36475 -16.2883 -4.36473 2.72173 -46.777 -16.2883 -46.7771 7.41561 GPRESSAVG: 2410400 8.97517 -3.37254 -15.2583 -5.19227 2.76756 -44.8137 -14.8712 -49.2217 7.26045 TIMING: 2410400 CPU: 6994.83, 0.0028902/step Wall: 6994.83, 0.0028902/step, 2.07902 hours remaining, 206.714844 MB of memory in use. ENERGY: 2410400 741.2978 2058.3214 1966.8086 116.8691 -206050.7671 17855.2320 0.0000 0.0000 34302.8966 -149009.3415 299.5757 -183312.2381 -148907.9091 299.4316 46.8559 75.0698 558330.5143 6.4199 6.3344 PRESSURE: 2410600 -319.468 191.116 298.652 191.117 -74.6223 14.5933 298.653 14.5934 -315.843 GPRESSURE: 2410600 -343.39 235.52 272.699 154.314 -15.4875 -33.557 317.216 59.4981 -265.835 PRESSAVG: 2410600 -13.9123 40.3685 15.9611 40.3684 7.99305 5.0568 15.961 5.05668 44.5463 GPRESSAVG: 2410600 -13.2591 39.2363 15.4459 40.3073 7.99809 4.89781 17.7393 7.05136 43.979 TIMING: 2410600 CPU: 6995.41, 0.00289247/step Wall: 6995.41, 0.00289247/step, 2.08049 hours remaining, 206.714844 MB of memory in use. ENERGY: 2410600 759.8382 2154.9736 1958.9914 112.0077 -205499.0825 17288.2185 0.0000 0.0000 34314.9974 -148910.0557 299.6814 -183225.0531 -148814.4747 300.3382 -236.6442 -208.2376 559145.7455 12.8757 12.9060 PRESSURE: 2410800 -5.65337 4.46283 55.9281 4.46413 -22.5626 176.189 55.9276 176.191 -85.2718 GPRESSURE: 2410800 -1.17244 -2.90015 -61.8636 -13.3524 14.8774 152.521 59.1387 226.293 -42.8689 PRESSAVG: 2410800 -8.09669 -24.7448 37.9723 -24.7448 83.8925 58.0706 37.9722 58.0707 -29.2886 GPRESSAVG: 2410800 -8.2834 -24.8567 39.8937 -24.1256 84.2116 57.319 33.9349 58.584 -29.2409 TIMING: 2410800 CPU: 6995.99, 0.00288215/step Wall: 6995.99, 0.00288215/step, 2.07291 hours remaining, 206.714844 MB of memory in use. ENERGY: 2410800 750.1141 2057.2410 1958.5648 113.3898 -205881.1026 17702.3272 0.0000 0.0000 34572.7704 -148726.6954 301.9326 -183299.4658 -148631.7868 300.0609 -37.8293 -9.7213 557285.8118 15.5024 15.5624 PRESSURE: 2411000 75.671 -51.2579 12.4907 -51.2578 64.1406 -14.6642 12.4917 -14.6634 -101.936 GPRESSURE: 2411000 131.68 -91.7831 -30.8197 -71.1183 91.3783 -68.7898 54.4168 -52.2256 -84.0557 PRESSAVG: 2411000 54.1263 -19.7161 -1.42278 -19.7161 -34.8061 -10.2904 -1.42267 -10.2904 -7.94242 GPRESSAVG: 2411000 55.2034 -18.1635 -3.75067 -20.0487 -34.6627 -10.7417 0.500987 -10.5567 -9.4083 TIMING: 2411000 CPU: 6996.57, 0.00288255/step Wall: 6996.57, 0.00288255/step, 2.07303 hours remaining, 206.714844 MB of memory in use. ENERGY: 2411000 746.3958 2063.3762 1941.3719 100.3411 -205480.5044 17677.2999 0.0000 0.0000 34289.4993 -148662.2202 299.4587 -182951.7196 -148562.2024 300.0674 12.6253 46.3340 559410.3814 3.7926 3.7108 PRESSURE: 2411200 115.367 -81.7701 -375.027 -81.7691 -52.9734 -45.7294 -375.027 -45.7289 153.64 GPRESSURE: 2411200 108.188 -92.5334 -328.208 -168.855 35.8914 5.17006 -340.743 -103.473 177.324 PRESSAVG: 2411200 8.88323 -16.2979 -20.4742 -16.298 -4.14127 -30.6091 -20.4741 -30.6091 31.1467 GPRESSAVG: 2411200 7.81043 -15.7174 -20.5757 -16.5537 -5.02661 -29.6884 -22.0686 -30.979 33.1302 TIMING: 2411200 CPU: 6997.14, 0.00287543/step Wall: 6997.14, 0.00287543/step, 2.06776 hours remaining, 206.714844 MB of memory in use. ENERGY: 2411200 771.7134 2048.6829 1963.3076 127.9576 -205695.1266 17747.8963 0.0000 0.0000 34315.3233 -148720.2456 299.6843 -183035.5689 -148627.1475 300.4779 72.0113 107.1343 558916.4486 11.9629 11.9713 PRESSURE: 2411400 106.002 -123.181 19.3153 -123.181 -166.105 3.14274 19.3147 3.14391 41.1052 GPRESSURE: 2411400 96.0486 -161.232 -18.7258 -139.894 -162.341 140.738 62.795 -117.605 144.298 PRESSAVG: 2411400 -15.728 -3.36506 -52.114 -3.36494 -27.8492 -4.12781 -52.114 -4.12784 52.7623 GPRESSAVG: 2411400 -15.1409 -4.97293 -50.1825 -3.33095 -27.2084 -4.81822 -51.8474 -3.99608 51.7782 TIMING: 2411400 CPU: 6997.72, 0.00288211/step Wall: 6997.72, 0.00288211/step, 2.0724 hours remaining, 206.714844 MB of memory in use. ENERGY: 2411400 736.8419 2098.1145 1961.7011 114.2831 -205925.2603 17820.5922 0.0000 0.0000 34334.9597 -148858.7679 299.8557 -183193.7275 -148770.3894 300.1244 -6.3327 26.0017 557994.5853 3.0617 3.1430 PRESSURE: 2411600 -84.0806 45.0141 57.8155 45.014 -408.553 -73.5447 57.8155 -73.5449 -100.028 GPRESSURE: 2411600 -42.6304 -12.1916 -62.702 93.9851 -368.65 -34.4277 52.6948 -101.671 -74.8464 PRESSAVG: 2411600 65.8036 7.86014 -57.691 7.86014 10.5799 -7.36388 -57.691 -7.36386 -87.3362 GPRESSAVG: 2411600 66.525 8.94166 -59.1024 6.61509 10.3469 -7.1072 -54.9335 -7.66616 -87.4864 TIMING: 2411600 CPU: 6998.29, 0.00288646/step Wall: 6998.29, 0.00288646/step, 2.07536 hours remaining, 206.714844 MB of memory in use. ENERGY: 2411600 739.9655 2042.2757 1944.3681 118.7009 -205569.5083 17520.9513 0.0000 0.0000 34239.2304 -148964.0162 299.0197 -183203.2467 -148873.4583 299.6987 -197.5539 -162.0422 559401.9754 -3.6509 -3.5382 PRESSURE: 2411800 -21.7752 -124.88 -27.821 -124.878 -49.1043 -45.0177 -27.8211 -45.0179 -179.986 GPRESSURE: 2411800 -25.7872 -86.6371 -125.456 -168.152 10.3331 39.0258 -44.1058 -44.5933 -140.698 PRESSAVG: 2411800 -6.42201 -10.7328 15.4119 -10.7327 20.6329 -14.8826 15.4118 -14.8826 -25.9164 GPRESSAVG: 2411800 -6.9803 -12.1596 15.8962 -8.95838 21.8035 -14.3867 13.3038 -13.5103 -26.3745 TIMING: 2411800 CPU: 6998.87, 0.00289538/step Wall: 6998.87, 0.00289538/step, 2.08162 hours remaining, 206.785156 MB of memory in use. ENERGY: 2411800 722.9194 2051.6680 1994.8228 105.1457 -205965.2965 17644.9627 0.0000 0.0000 34262.3380 -149183.4399 299.2215 -183445.7779 -149094.5501 298.7498 -83.6217 -52.0505 559142.9551 -3.9018 -3.8504 PRESSURE: 2412000 -19.1432 -12.3492 27.0643 -12.3498 119.125 -12.8956 27.0635 -12.8951 28.1943 GPRESSURE: 2412000 -19.042 -39.3032 62.0332 -35.5991 201.606 -3.2244 16.7812 14.3803 48.5663 PRESSAVG: 2412000 -9.95521 -39.3714 -15.7579 -39.3714 47.6045 -15.8441 -15.7579 -15.844 -5.99388 GPRESSAVG: 2412000 -9.12952 -37.5505 -16.1064 -40.9512 46.6756 -18.2334 -16.0437 -15.6746 -5.53045 TIMING: 2412000 CPU: 6999.45, 0.00289129/step Wall: 6999.45, 0.00289129/step, 2.07852 hours remaining, 206.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2412000 694.9062 2059.4528 1953.4555 115.7754 -206215.1547 17938.9039 0.0000 0.0000 34170.4114 -149282.2495 298.4187 -183452.6609 -149179.3898 299.2064 42.7255 77.0435 558725.7073 10.5518 10.6719 PRESSURE: 2412200 14.2123 11.2741 -62.1349 11.2744 -204.065 91.4126 -62.1353 91.4123 56.4543 GPRESSURE: 2412200 36.9335 -35.6928 -101.997 -55.3291 -169.181 31.3836 -69.2191 67.3094 80.6078 PRESSAVG: 2412200 60.4513 -27.8828 8.88132 -27.8828 -26.0003 11.657 8.8813 11.657 -9.40703 GPRESSAVG: 2412200 60.4623 -27.4508 7.54243 -29.7261 -26.398 11.9764 9.87282 11.2479 -8.80182 TIMING: 2412200 CPU: 7000.03, 0.00288267/step Wall: 7000.03, 0.00288267/step, 2.07216 hours remaining, 206.785156 MB of memory in use. ENERGY: 2412200 720.8781 2117.2227 1957.8900 102.8901 -206247.9650 17708.5057 0.0000 0.0000 34514.2048 -149126.3736 301.4211 -183640.5784 -149026.3803 299.4826 -44.4661 -17.2131 558471.0096 8.3480 8.4208 LDB: ============= START OF LOAD BALANCING ============== 7003.49 LDB: ============== END OF LOAD BALANCING =============== 7003.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7003.5 LDB: ============= START OF LOAD BALANCING ============== 7003.79 LDB: Largest compute 4821 load 0.032688 is 27.8% of average load 0.117730 LDB: Average compute 0.001722 is 1.5% of average load 0.117730 LDB: TIME 7003.79 LOAD: AVG 0.11773 MAX 0.177776 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 7003.79 LOAD: AVG 0.11773 MAX 0.177776 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.387 MB LDB: TIME 7003.79 LOAD: AVG 0.11773 MAX 0.177776 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7003.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7003.79 PRESSURE: 2412400 269.179 -37.8177 34.0373 -37.8173 28.8336 -133.654 34.0373 -133.654 283.344 GPRESSURE: 2412400 283.206 -78.3388 -4.15327 64.4131 55.1039 -137.669 131.032 -114.138 339.096 PRESSAVG: 2412400 -12.3981 23.5753 -25.7438 23.5753 30.8112 -0.362915 -25.7439 -0.362929 -26.3137 GPRESSAVG: 2412400 -13.1192 24.1206 -27.2074 26.0044 33.1677 1.32091 -24.216 -0.787646 -27.3239 TIMING: 2412400 CPU: 7000.62, 0.00295266/step Wall: 7000.62, 0.00295266/step, 2.12231 hours remaining, 206.445312 MB of memory in use. ENERGY: 2412400 718.0823 2103.4645 1971.0768 117.8743 -206295.7864 18045.1548 0.0000 0.0000 34159.1956 -149180.9380 298.3208 -183340.1336 -149086.0400 298.9393 193.7855 225.8019 557444.1597 -2.6335 -2.4251 PRESSURE: 2412600 -6.7704 99.5165 -27.7557 99.5145 12.5626 -141.728 -27.7552 -141.729 72.1353 GPRESSURE: 2412600 32.0801 49.6151 -24.3465 230.695 53.0365 -109.398 1.82445 -155.199 78.0401 PRESSAVG: 2412600 -64.4683 27.9359 17.8283 27.9358 6.90739 -29.5277 17.8284 -29.5276 75.0052 GPRESSAVG: 2412600 -63.4011 28.9805 21.0693 26.4869 5.00655 -32.2096 17.0188 -27.6684 76.2479 TIMING: 2412600 CPU: 7001.2, 0.00289167/step Wall: 7001.2, 0.00289167/step, 2.07831 hours remaining, 206.515625 MB of memory in use. ENERGY: 2412600 723.9036 2083.0665 1963.0232 115.1875 -206319.2521 17822.3974 0.0000 0.0000 34442.0672 -149169.6066 300.7911 -183611.6738 -149075.3812 298.7361 25.9758 54.3856 557303.7293 5.8147 5.9511 PRESSURE: 2412800 -3.52587 -135.306 94.5756 -135.306 -15.1878 50.2377 94.5759 50.2369 -29.6898 GPRESSURE: 2412800 -5.56124 -6.83281 91.6416 -151.724 51.87 150.73 54.093 53.8168 11.3996 PRESSAVG: 2412800 -20.9242 32.0285 0.520268 32.0285 -20.0433 -44.6777 0.520189 -44.6776 42.2948 GPRESSAVG: 2412800 -21.7658 32.1953 0.749554 32.3986 -19.9213 -42.0643 1.31707 -45.0804 42.6167 TIMING: 2412800 CPU: 7001.77, 0.00288564/step Wall: 7001.77, 0.00288564/step, 2.07382 hours remaining, 206.515625 MB of memory in use. ENERGY: 2412800 764.5193 2077.2800 1937.6069 105.5389 -205608.6885 17494.9685 0.0000 0.0000 33991.7207 -149237.0543 296.8582 -183228.7750 -149140.1431 299.4797 -16.1345 19.2361 556958.7751 0.4424 0.3099 PRESSURE: 2413000 57.8984 39.0291 -42.6947 39.0285 103.335 106.187 -42.6944 106.188 -76.7407 GPRESSURE: 2413000 54.479 56.6078 -103.116 45.1481 98.1358 84.3208 129.897 171.741 14.7873 PRESSAVG: 2413000 3.75911 -29.16 -5.05274 -29.16 -41.4476 26.6286 -5.05273 26.6286 92.6175 GPRESSAVG: 2413000 3.61507 -31.2327 -4.82101 -27.6866 -41.7281 25.881 -5.12592 26.6265 92.5134 TIMING: 2413000 CPU: 7002.35, 0.00288569/step Wall: 7002.35, 0.00288569/step, 2.07369 hours remaining, 206.515625 MB of memory in use. ENERGY: 2413000 723.8447 2099.7369 1941.0531 112.2544 -205956.6210 17598.7037 0.0000 0.0000 34183.0582 -149297.9700 298.5291 -183481.0283 -149202.4456 298.9027 28.1641 55.8007 556276.7990 18.3097 18.1334 PRESSURE: 2413200 203.295 -26.5178 -94.699 -26.5186 -60.9975 -52.5534 -94.6994 -52.5535 209.43 GPRESSURE: 2413200 204.439 -13.2401 -170.688 -42.3516 48.5726 -28.2797 -54.5845 -44.3599 211.489 PRESSAVG: 2413200 13.0829 -30.4891 12.2804 -30.4891 -1.40661 29.0131 12.2804 29.0131 -21.5056 GPRESSAVG: 2413200 14.0077 -30.7535 13.8136 -29.9349 -1.91572 29.9365 8.85147 29.992 -22.3603 TIMING: 2413200 CPU: 7002.93, 0.00288877/step Wall: 7002.93, 0.00288877/step, 2.07574 hours remaining, 206.515625 MB of memory in use. ENERGY: 2413200 725.9369 2122.1062 1961.3441 118.9167 -206493.0188 17878.2692 0.0000 0.0000 34336.0940 -149350.3516 299.8656 -183686.4456 -149253.8370 299.2789 117.2425 154.8337 554767.5295 -3.2764 -3.4228 PRESSURE: 2413400 182.96 100.832 33.5875 100.832 46.2156 20.4639 33.5868 20.4624 81.1346 GPRESSURE: 2413400 251.212 108.257 58.896 97.5429 74.2828 44.3244 117.137 15.3934 90.798 PRESSAVG: 2413400 60.5759 66.5013 -24.4429 66.5013 -4.16679 -25.3298 -24.4429 -25.3299 -11.9135 GPRESSAVG: 2413400 59.5736 67.1867 -24.9709 65.3964 -3.67808 -25.9688 -22.0092 -26.9982 -11.0987 TIMING: 2413400 CPU: 7003.5, 0.00288065/step Wall: 7003.5, 0.00288065/step, 2.06975 hours remaining, 206.515625 MB of memory in use. ENERGY: 2413400 743.3828 2086.1850 1970.2264 111.7766 -206437.8475 17861.4815 0.0000 0.0000 34210.4977 -149454.2975 298.7688 -183664.7952 -149355.9127 298.7450 103.4368 138.7643 553819.4665 14.8319 14.9323 PRESSURE: 2413600 -190.67 -95.9444 -42.0073 -95.944 -113.167 -4.60073 -42.0075 -4.60146 -222.013 GPRESSURE: 2413600 -168.125 -38.928 -15.2024 -119.067 -95.4472 121.372 -64.5148 -55.4031 -165.511 PRESSAVG: 2413600 37.397 30.4509 11.2808 30.4509 28.2702 -5.31104 11.2809 -5.31109 -57.014 GPRESSAVG: 2413600 38.0568 29.9445 10.1975 29.1053 28.9645 -4.53251 10.2596 -5.49789 -58.1376 TIMING: 2413600 CPU: 7004.08, 0.0028608/step Wall: 7004.08, 0.0028608/step, 2.05533 hours remaining, 206.515625 MB of memory in use. ENERGY: 2413600 779.5805 2143.6248 1982.2738 104.0945 -205956.0337 17455.9445 0.0000 0.0000 34093.8479 -149396.6677 297.7501 -183490.5156 -149298.7033 298.9531 -175.2836 -143.0278 555168.3220 2.8844 2.9612 PRESSURE: 2413800 -330.334 64.0507 -48.0262 64.0503 -147.097 -73.802 -48.0252 -73.8035 -34.8077 GPRESSURE: 2413800 -282.407 101.846 -2.16222 -5.741 -173.417 -161.433 -38.4688 -35.0839 42.211 PRESSAVG: 2413800 -3.91503 -42.7197 -21.2493 -42.7197 54.1374 -14.9658 -21.2494 -14.9658 -51.3023 GPRESSAVG: 2413800 -4.92537 -42.69 -20.8515 -41.2868 52.6134 -17.3465 -21.3814 -15.4611 -49.4122 TIMING: 2413800 CPU: 7004.65, 0.00288272/step Wall: 7004.65, 0.00288272/step, 2.07091 hours remaining, 206.515625 MB of memory in use. ENERGY: 2413800 769.3891 2126.3136 1953.8631 122.7814 -205938.2037 17418.8294 0.0000 0.0000 34210.3832 -149336.6438 298.7678 -183547.0271 -149237.7105 299.1648 -170.7460 -137.8713 556932.9526 -0.3600 -0.5747 PRESSURE: 2414000 -170.456 -18.2335 -21.9469 -18.2327 147.409 58.3929 -21.9466 58.3922 -298.192 GPRESSURE: 2414000 -130.064 -20.5423 -70.6545 -0.811148 178.704 86.8166 -6.69163 -53.5557 -273.231 PRESSAVG: 2414000 52.5582 -37.3068 42.5594 -37.3068 0.388895 15.9419 42.5595 15.9419 -38.2619 GPRESSAVG: 2414000 52.7464 -36.1571 43.1638 -38.195 1.16598 18.1711 43.1447 15.5986 -38.8554 TIMING: 2414000 CPU: 7005.23, 0.00288473/step Wall: 7005.23, 0.00288473/step, 2.0722 hours remaining, 206.515625 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: 2414000 779.8421 2120.2756 1950.7239 117.4048 -206207.1267 17793.8846 0.0000 0.0000 33954.6411 -149490.3545 296.5343 -183444.9956 -149394.9882 298.8987 -107.0796 -74.8637 557232.0247 4.8951 5.0190 PRESSURE: 2414200 -33.939 -49.7477 -90.9361 -49.7461 53.3128 135.381 -90.9367 135.381 47.1375 GPRESSURE: 2414200 -36.2381 -5.48439 -117.519 20.9289 69.5794 142.749 -125.109 40.4609 125.486 PRESSAVG: 2414200 -55.8053 -12.8329 29.958 -12.8329 89.2165 -0.580661 29.9581 -0.58066 -16.5667 GPRESSAVG: 2414200 -56.3707 -12.7986 27.9431 -12.5169 90.6807 0.310436 31.4057 -1.2356 -16.9525 TIMING: 2414200 CPU: 7005.81, 0.00289913/step Wall: 7005.81, 0.00289913/step, 2.08238 hours remaining, 206.515625 MB of memory in use. ENERGY: 2414200 745.8745 2129.1481 1970.4147 122.8863 -206583.8527 17881.6016 0.0000 0.0000 34302.3913 -149431.5362 299.5713 -183733.9275 -149338.4518 298.8081 22.1705 52.9424 555456.5412 5.6148 5.7858 PRESSURE: 2414400 -366.537 -108.553 65.0057 -108.553 133.813 145.866 65.005 145.866 -84.2237 GPRESSURE: 2414400 -333.364 -64.2447 57.5594 -130.564 132.059 105.603 -19.7703 142.466 -16.8769 PRESSAVG: 2414400 -77.2051 -33.3987 -41.1116 -33.3987 98.0918 49.7195 -41.1116 49.7195 -10.7712 GPRESSAVG: 2414400 -75.4004 -33.7752 -40.6252 -33.4259 97.3876 48.166 -42.1862 51.9144 -11.5079 TIMING: 2414400 CPU: 7006.39, 0.00288725/step Wall: 7006.39, 0.00288725/step, 2.07369 hours remaining, 206.515625 MB of memory in use. ENERGY: 2414400 782.0582 2078.2085 1990.2494 116.3902 -206522.4170 17854.2452 0.0000 0.0000 34285.7032 -149415.5622 299.4256 -183701.2654 -149314.3021 299.0811 -105.6492 -72.7273 556746.6841 3.3719 3.4931 PRESSURE: 2414600 -71.8442 27.0913 -53.9211 27.0914 -186.261 3.63237 -53.9203 3.63322 -247.202 GPRESSURE: 2414600 -61.0195 -9.26002 -8.88474 86.3131 -61.5983 -51.801 -77.7566 8.14274 -288.274 PRESSAVG: 2414600 19.8519 -6.18648 -32.0899 -6.18652 47.6071 -6.69161 -32.0899 -6.69165 -38.9622 GPRESSAVG: 2414600 19.3638 -6.08749 -32.187 -4.46539 47.9005 -6.48954 -30.7027 -9.30286 -39.2893 TIMING: 2414600 CPU: 7006.97, 0.00289646/step Wall: 7006.97, 0.00289646/step, 2.08014 hours remaining, 206.515625 MB of memory in use. ENERGY: 2414600 778.2414 2039.2469 1939.8875 118.4070 -206315.4654 17573.9354 0.0000 0.0000 34340.9445 -149524.8027 299.9080 -183865.7472 -149428.1752 298.2389 -168.4356 -136.9641 556432.3859 9.4989 9.3250 PRESSURE: 2414800 5.45753 1.73686 -154.899 1.7372 147.483 -49.0103 -154.898 -49.0093 -22.2532 GPRESSURE: 2414800 45.7255 37.1541 -128.171 -47.9424 124.066 -29.1131 -276.916 -40.5366 54.9636 PRESSAVG: 2414800 -6.66512 31.5258 -55.7711 31.5258 19.5178 -40.699 -55.7711 -40.699 36.7898 GPRESSAVG: 2414800 -8.08285 30.3464 -55.8853 29.6874 19.8421 -39.8726 -54.3993 -37.3395 38.0291 TIMING: 2414800 CPU: 7007.54, 0.00287148/step Wall: 7007.54, 0.00287148/step, 2.06204 hours remaining, 206.515625 MB of memory in use. ENERGY: 2414800 763.7405 2097.5161 1957.8867 112.7871 -206849.6809 18102.0752 0.0000 0.0000 34237.9742 -149577.7011 299.0087 -183815.6752 -149480.8494 298.7294 43.5626 74.9184 557211.4599 16.5475 16.5961 PRESSURE: 2415000 268.733 203.257 67.8162 203.258 155.209 169.313 67.8165 169.313 71.628 GPRESSURE: 2415000 296.622 135.025 119.733 233.505 172.69 163.332 55.483 117.595 124.686 PRESSAVG: 2415000 -13.2678 44.1663 -19.5197 44.1663 -27.1181 30.2464 -19.5199 30.2464 54.0497 GPRESSAVG: 2415000 -13.174 45.3433 -17.8557 45.0172 -27.6405 28.7642 -23.3749 30.0337 54.9143 TIMING: 2415000 CPU: 7008.12, 0.00288328/step Wall: 7008.12, 0.00288328/step, 2.07036 hours remaining, 206.515625 MB of memory in use. ENERGY: 2415000 760.0839 2087.2585 1958.3792 99.4245 -206554.8748 18046.3965 0.0000 0.0000 34100.1443 -149503.1877 297.8050 -183603.3321 -149410.4106 297.7884 165.1899 197.9995 556973.2515 4.5546 4.6999 PRESSURE: 2415200 -165.122 7.8143 109.469 7.81442 28.0951 36.1201 109.469 36.1227 -436.846 GPRESSURE: 2415200 -127.954 -15.159 128.43 6.8711 52.9111 71.7624 59.5384 52.0154 -408.065 PRESSAVG: 2415200 -6.63863 34.5707 52.3884 34.5707 -10.5328 25.4147 52.3885 25.4147 10.6751 GPRESSAVG: 2415200 -5.13641 34.9733 51.3292 34.8762 -11.9282 26.9712 54.2055 25.3318 10.5329 TIMING: 2415200 CPU: 7008.69, 0.00288005/step Wall: 7008.69, 0.00288005/step, 2.06788 hours remaining, 206.515625 MB of memory in use. ENERGY: 2415200 709.0808 2090.1954 1963.8198 97.3156 -206333.5487 17668.5371 0.0000 0.0000 34252.9189 -149551.6812 299.1393 -183804.6001 -149457.7292 298.2491 -191.2911 -161.0358 557002.0544 -2.1655 -2.1772 PRESSURE: 2415400 72.7978 -17.1059 55.663 -17.1056 -28.8156 32.9492 55.6619 32.9509 59.5527 GPRESSURE: 2415400 142.421 -8.60291 -16.6267 44.3321 10.0482 -19.9892 -22.3016 17.9484 48.613 PRESSAVG: 2415400 -62.6477 -21.2228 -23.7398 -21.2228 26.1613 -12.0089 -23.7398 -12.0088 15.1433 GPRESSAVG: 2415400 -62.0835 -23.0004 -22.3283 -20.5648 26.3958 -14.1317 -24.3508 -13.0235 14.531 TIMING: 2415400 CPU: 7009.27, 0.00288619/step Wall: 7009.27, 0.00288619/step, 2.07212 hours remaining, 206.515625 MB of memory in use. ENERGY: 2415400 723.4536 2102.1677 1937.8715 125.8918 -206602.4861 18044.7248 0.0000 0.0000 34027.9221 -149640.4547 297.1743 -183668.3767 -149540.3089 298.2511 34.5116 67.0272 558028.5815 -7.1144 -7.0523 PRESSURE: 2415600 -2.78849 -47.2678 -69.4508 -47.2685 -121.897 -121.492 -69.4502 -121.493 -206.801 GPRESSURE: 2415600 36.2687 -118.523 2.42029 -29.3606 -67.2234 -168.492 -165.357 -68.7627 -186.24 PRESSAVG: 2415600 36.261 -49.392 -5.12826 -49.3921 51.5138 -20.9893 -5.12826 -20.9893 -30.6685 GPRESSAVG: 2415600 34.4305 -47.912 -5.95103 -50.8064 52.8489 -18.3472 -5.62568 -22.187 -30.3601 TIMING: 2415600 CPU: 7009.85, 0.00291121/step Wall: 7009.85, 0.00291121/step, 2.08993 hours remaining, 206.515625 MB of memory in use. ENERGY: 2415600 749.9803 2069.4175 1980.0194 113.8594 -206507.2977 17855.6494 0.0000 0.0000 34179.5119 -149558.8597 298.4982 -183738.3716 -149459.1849 298.1508 -110.4956 -72.3984 557782.2172 19.0354 18.9731 PRESSURE: 2415800 -114.168 85.195 -47.6146 85.1947 -365.457 -121.94 -47.6139 -121.942 -38.5701 GPRESSURE: 2415800 -87.1916 48.8548 -43.7029 73.8135 -333.834 -48.9845 -92.6717 -151.446 -14.3435 PRESSAVG: 2415800 -20.917 -49.924 -2.92906 -49.9242 36.4706 4.52876 -2.92909 4.52879 -25.1712 GPRESSAVG: 2415800 -19.7242 -50.9936 -1.49303 -50.7361 35.6997 2.65873 -4.24086 6.46295 -25.681 TIMING: 2415800 CPU: 7010.43, 0.00290476/step Wall: 7010.43, 0.00290476/step, 2.08513 hours remaining, 206.515625 MB of memory in use. ENERGY: 2415800 726.9457 2092.8701 1975.2402 116.2796 -206108.8379 17604.4100 0.0000 0.0000 34081.7318 -149511.3606 297.6442 -183593.0924 -149421.5581 298.6129 -172.7316 -145.1231 558710.4332 -3.2058 -3.2352 PRESSURE: 2416000 -117.793 53.3062 0.972115 53.3058 -108.765 14.8927 0.972441 14.8913 -397.192 GPRESSURE: 2416000 -79.9492 72.2997 -28.6678 70.5509 -85.4455 -31.6433 -9.05682 -5.71181 -351.534 PRESSAVG: 2416000 -26.6319 6.21464 -23.1999 6.21469 61.5876 -14.237 -23.2 -14.2371 -71.594 GPRESSAVG: 2416000 -26.921 5.74559 -24.0479 8.71289 61.0342 -14.2152 -20.6815 -13.1534 -70.3719 TIMING: 2416000 CPU: 7011.01, 0.00289176/step Wall: 7011.01, 0.00289176/step, 2.07564 hours remaining, 206.515625 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: 2416000 770.2630 2081.1303 1954.8284 104.2870 -206080.1318 17673.8482 0.0000 0.0000 34033.0151 -149462.7599 297.2188 -183495.7750 -149369.5647 298.3091 -207.9168 -172.3094 558979.6706 -12.2128 -12.0863 PRESSURE: 2416200 -259.039 76.2296 -54.3273 76.2306 37.8271 59.8431 -54.3264 59.8445 -280.274 GPRESSURE: 2416200 -232.462 30.2926 -162.977 64.2702 76.5629 64.1919 -72.458 80.0509 -242.878 PRESSAVG: 2416200 9.07288 51.8337 -22.1763 51.8336 26.9811 -30.8581 -22.1763 -30.8581 -6.85668 GPRESSAVG: 2416200 9.06511 51.7962 -24.4777 51.0839 26.8669 -30.1769 -21.6508 -30.1324 -6.74705 TIMING: 2416200 CPU: 7011.59, 0.00287476/step Wall: 7011.59, 0.00287476/step, 2.06328 hours remaining, 206.515625 MB of memory in use. ENERGY: 2416200 762.3259 2022.4473 1960.1892 107.3596 -206017.2537 17775.0317 0.0000 0.0000 34007.4534 -149382.4465 296.9955 -183389.8999 -149287.0643 297.9759 -167.1622 -132.9256 559945.8597 9.7324 9.7283 LDB: ============= START OF LOAD BALANCING ============== 7015.05 LDB: ============== END OF LOAD BALANCING =============== 7015.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7015.05 LDB: ============= START OF LOAD BALANCING ============== 7015.34 LDB: Largest compute 4821 load 0.030792 is 26.1% of average load 0.117788 LDB: Average compute 0.001722 is 1.5% of average load 0.117788 LDB: TIME 7015.35 LOAD: AVG 0.117788 MAX 0.180301 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 7015.35 LOAD: AVG 0.117788 MAX 0.180301 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 7015.35 LOAD: AVG 0.117788 MAX 0.180301 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7015.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7015.35 PRESSURE: 2416400 -220.164 28.245 127.565 28.2429 155.17 49.3402 127.565 49.3395 -330.503 GPRESSURE: 2416400 -174.777 30.8242 38.1045 -23.9053 191.695 82.4424 218.986 -27.5256 -312.477 PRESSAVG: 2416400 20.9152 -12.0255 -6.92313 -12.0255 73.724 12.536 -6.92304 12.5361 -66.3706 GPRESSAVG: 2416400 21.3095 -10.277 -4.3341 -12.4412 73.3208 12.7452 -9.30869 11.3488 -66.4154 TIMING: 2416400 CPU: 7012.18, 0.0029459/step Wall: 7012.18, 0.0029459/step, 2.11417 hours remaining, 207.226562 MB of memory in use. ENERGY: 2416400 749.6945 2109.7514 1933.9289 107.0738 -205962.1294 17643.5304 0.0000 0.0000 34205.8436 -149212.3068 298.7281 -183418.1504 -149119.0359 298.7792 -131.8326 -98.5196 558188.9450 9.4229 9.4050 PRESSURE: 2416600 26.8924 -141.474 41.8029 -141.473 -90.2732 82.3834 41.8024 82.3846 -192.726 GPRESSURE: 2416600 12.1275 -119.825 7.62073 -112.463 -74.3519 105.919 15.3048 30.6658 -79.33 PRESSAVG: 2416600 33.4807 0.963286 36.208 0.963275 23.8372 -0.190995 36.208 -0.190981 -48.1406 GPRESSAVG: 2416600 34.6339 1.00648 34.6698 -0.288767 23.2925 -1.28553 36.8563 0.35531 -48.5978 TIMING: 2416600 CPU: 7012.76, 0.00289061/step Wall: 7012.76, 0.00289061/step, 2.07433 hours remaining, 207.687500 MB of memory in use. ENERGY: 2416600 714.3463 2156.1236 1947.2736 113.1053 -205757.7644 17557.3999 0.0000 0.0000 34095.1616 -149174.3540 297.7615 -183269.5156 -149079.8087 299.2822 -85.3689 -47.1848 557925.6947 3.0591 3.1095 PRESSURE: 2416800 -137.864 24.4326 -160.844 24.4329 116.376 -16.3205 -160.843 -16.3194 34.0558 GPRESSURE: 2416800 -99.9251 -13.4446 -233.608 82.287 171.656 -25.2946 -162.871 -18.321 22.4935 PRESSAVG: 2416800 22.2093 -14.685 -20.6662 -14.6849 -17.2454 -3.63373 -20.6663 -3.63373 26.5231 GPRESSAVG: 2416800 21.2609 -16.9472 -19.7989 -12.7888 -16.2787 -3.54246 -21.2579 -5.67652 27.495 TIMING: 2416800 CPU: 7013.34, 0.00289923/step Wall: 7013.34, 0.00289923/step, 2.08036 hours remaining, 207.687500 MB of memory in use. ENERGY: 2416800 722.8433 2096.7240 1943.8456 113.4916 -206203.4141 17730.2772 0.0000 0.0000 34264.4587 -149331.7738 299.2400 -183596.2325 -149230.7300 299.2305 4.1894 31.4080 556121.7667 10.4957 10.8257 PRESSURE: 2417000 -272.246 176.635 146.919 176.636 86.3608 -110.066 146.918 -110.067 211.266 GPRESSURE: 2417000 -204.457 241.793 252.477 160.972 98.495 -179.272 110.01 27.4071 232.83 PRESSAVG: 2417000 38.2125 47.2564 -7.99792 47.2563 7.05232 -46.0402 -7.99787 -46.0401 -35.7073 GPRESSAVG: 2417000 37.7068 45.9398 -8.94601 48.0088 7.35201 -46.5413 -6.72922 -44.9469 -35.7216 TIMING: 2417000 CPU: 7013.91, 0.00289793/step Wall: 7013.91, 0.00289793/step, 2.07927 hours remaining, 207.687500 MB of memory in use. ENERGY: 2417000 707.1354 2129.2402 1969.6701 119.5995 -206499.4151 17833.7742 0.0000 0.0000 34394.0460 -149345.9497 300.3718 -183739.9957 -149246.7039 299.0294 8.4602 42.2895 556664.6974 3.1859 3.1124 PRESSURE: 2417200 -8.28992 -55.8474 -85.9768 -55.8474 -57.5418 149.038 -85.9764 149.037 -229.172 GPRESSURE: 2417200 28.6896 -6.52774 -31.2715 -43.5229 -6.64618 164.137 -110.59 167.868 -230.395 PRESSAVG: 2417200 -27.4824 46.2449 -14.7903 46.2448 40.1992 44.0236 -14.7902 44.0236 -10.345 GPRESSAVG: 2417200 -26.6002 47.4803 -11.5141 45.8059 39.7353 45.1626 -16.4075 44.5376 -10.9507 TIMING: 2417200 CPU: 7014.49, 0.00287568/step Wall: 7014.49, 0.00287568/step, 2.06314 hours remaining, 207.687500 MB of memory in use. ENERGY: 2417200 751.1690 2009.8693 1973.9529 121.5873 -206358.9571 17738.9386 0.0000 0.0000 34267.7369 -149495.7030 299.2687 -183763.4400 -149393.5184 298.8619 -98.3345 -69.4504 557049.8724 0.7906 0.7281 PRESSURE: 2417400 -138.659 -135.839 77.4007 -135.838 -56.2704 151.79 77.3999 151.791 69.4207 GPRESSURE: 2417400 -112.078 -89.9282 14.6533 -161.921 4.47349 149.482 109.125 93.2613 81.2388 PRESSAVG: 2417400 28.6926 -31.3122 -16.3752 -31.3122 -0.737538 -14.8228 -16.3752 -14.8229 -50.2291 GPRESSAVG: 2417400 28.2803 -30.361 -20.1277 -31.5966 -0.668628 -13.0011 -14.4905 -15.1029 -49.9237 TIMING: 2417400 CPU: 7015.06, 0.00286898/step Wall: 7015.06, 0.00286898/step, 2.05817 hours remaining, 207.687500 MB of memory in use. ENERGY: 2417400 775.9708 2053.7800 1957.4924 128.2038 -206232.6413 17851.7128 0.0000 0.0000 33985.6374 -149479.8441 296.8050 -183465.4816 -149392.1003 298.3155 -41.8361 -8.7886 557833.3885 -7.4247 -7.4373 PRESSURE: 2417600 -139.03 -58.7528 -124.323 -58.7529 38.4298 -43.5177 -124.324 -43.5171 -223.217 GPRESSURE: 2417600 -51.6884 -57.7753 -141.032 -145.856 59.3274 -55.0319 -155.106 -52.8098 -236.933 PRESSAVG: 2417600 55.8765 3.97792 10.7706 3.97785 4.45924 33.9017 10.7705 33.9019 -87.3822 GPRESSAVG: 2417600 56.3105 3.73983 11.0676 3.5142 3.72473 32.0328 9.77908 35.3306 -86.4747 TIMING: 2417600 CPU: 7015.64, 0.00288938/step Wall: 7015.64, 0.00288938/step, 2.07265 hours remaining, 207.687500 MB of memory in use. ENERGY: 2417600 776.3792 2072.3220 1981.8497 104.0613 -206173.6558 17618.6022 0.0000 0.0000 34187.6147 -149432.8267 298.5689 -183620.4415 -149335.2265 298.0333 -107.9391 -76.4313 557518.7238 -9.0155 -8.8131 PRESSURE: 2417800 109.889 -148.346 -44.0969 -148.347 53.59 131.823 -44.0983 131.823 -180.728 GPRESSURE: 2417800 160.052 -141.06 -49.9618 -118.734 74.3543 164.877 -20.734 100.052 -153.309 PRESSAVG: 2417800 41.3532 45.9041 -37.7269 45.904 72.0525 -34.561 -37.7269 -34.5611 -108.146 GPRESSAVG: 2417800 42.7613 46.7353 -36.6146 45.7799 70.7758 -34.3428 -37.4892 -36.284 -108.664 TIMING: 2417800 CPU: 7016.22, 0.0028826/step Wall: 7016.22, 0.0028826/step, 2.06763 hours remaining, 207.761719 MB of memory in use. ENERGY: 2417800 765.0578 2087.7103 1975.0740 92.3310 -206515.6327 17904.9360 0.0000 0.0000 34355.3792 -149335.1445 300.0341 -183690.5237 -149234.9499 298.6415 -5.7497 27.0325 556786.3154 1.7531 1.6244 PRESSURE: 2418000 53.7948 80.1729 -122.461 80.1732 -0.238123 -133.755 -122.462 -133.754 -74.7322 GPRESSURE: 2418000 43.074 188.155 -139.51 -3.69552 25.3448 -153.207 -23.8112 -64.89 1.26238 PRESSAVG: 2418000 95.8214 -26.6392 -58.9405 -26.6391 -47.0244 6.68927 -58.9405 6.68919 -22.3034 GPRESSAVG: 2418000 94.8007 -29.3056 -60.2249 -23.1935 -46.0537 6.87682 -58.9118 7.55093 -22.147 TIMING: 2418000 CPU: 7016.8, 0.00289736/step Wall: 7016.8, 0.00289736/step, 2.07805 hours remaining, 207.761719 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: 2418000 777.0683 2128.9797 1986.3865 121.4480 -206380.0233 17949.2180 0.0000 0.0000 34275.9352 -149140.9875 299.3403 -183416.9227 -149045.2823 299.4071 -7.0585 23.2271 557578.4753 8.8312 8.8667 PRESSURE: 2418200 106.194 -87.7047 -45.895 -87.7028 -67.0384 94.6894 -45.8952 94.6881 128.397 GPRESSURE: 2418200 143.28 -108.1 -77.4213 -101.043 -44.6238 91.0999 -49.0063 151.941 160.008 PRESSAVG: 2418200 80.7559 38.9421 -19.8288 38.9421 -21.4686 9.95539 -19.8289 9.9554 11.1738 GPRESSAVG: 2418200 80.8543 39.4113 -18.9834 36.7853 -21.1961 9.76165 -18.8221 8.458 11.101 TIMING: 2418200 CPU: 7017.38, 0.00288826/step Wall: 7017.38, 0.00288826/step, 2.07136 hours remaining, 207.761719 MB of memory in use. ENERGY: 2418200 745.6984 2091.2619 2013.2919 107.6740 -206696.4595 18110.7382 0.0000 0.0000 34434.6559 -149193.1392 300.7264 -183627.7951 -149094.4079 298.9893 55.8508 86.2214 557920.7493 23.4870 23.5864 PRESSURE: 2418400 46.085 138.732 -173.743 138.734 -39.8299 7.48889 -173.742 7.48925 141.283 GPRESSURE: 2418400 79.534 231.536 -103.489 72.395 -6.91484 -32.2488 -161.206 41.5734 160.139 PRESSAVG: 2418400 23.2659 36.7395 -38.8668 36.7395 -41.8487 -11.0678 -38.8669 -11.0678 28.4815 GPRESSAVG: 2418400 22.2617 36.9136 -40.8996 38.5332 -40.9979 -11.6085 -38.3366 -10.5065 29.0991 TIMING: 2418400 CPU: 7017.95, 0.00287911/step Wall: 7017.95, 0.0028791/step, 2.06464 hours remaining, 207.871094 MB of memory in use. ENERGY: 2418400 729.0674 2160.1993 1950.9745 115.6700 -206265.6285 17924.9645 0.0000 0.0000 34192.5319 -149192.2209 298.6119 -183384.7528 -149095.1690 299.2210 49.1793 77.5861 556973.2256 3.2996 3.4543 PRESSURE: 2418600 -137.121 -33.6887 23.6975 -33.6881 -510.191 -84.5631 23.6973 -84.5628 -58.3447 GPRESSURE: 2418600 -104.847 -88.7054 -25.1311 23.9051 -431.105 -56.7167 -15.1915 -6.22762 -68.6207 PRESSAVG: 2418600 35.6505 -3.43073 19.6668 -3.43078 -56.1521 -12.7335 19.6669 -12.7335 -7.9245 GPRESSAVG: 2418600 36.0844 -2.63192 20.8542 -5.45687 -55.7387 -13.7952 19.5101 -11.1034 -8.8897 TIMING: 2418600 CPU: 7018.52, 0.00286529/step Wall: 7018.52, 0.00286529/step, 2.05457 hours remaining, 207.871094 MB of memory in use. ENERGY: 2418600 758.7182 2067.2630 1965.5701 111.5056 -206122.0884 17516.3196 0.0000 0.0000 34494.5743 -149208.1375 301.2497 -183702.7118 -149103.9280 299.4831 -235.2188 -201.5242 558204.8738 -9.4754 -9.5147 PRESSURE: 2418800 -208.119 -28.5869 -145.464 -28.5864 -432.673 55.9883 -145.464 55.9862 -414.891 GPRESSURE: 2418800 -206.498 -15.3801 -109.776 -4.92134 -363.095 86.7108 -201.151 37.8827 -366.045 PRESSAVG: 2418800 73.43 15.2573 16.6955 15.2573 -39.8852 8.53101 16.6955 8.53105 -3.61411 GPRESSAVG: 2418800 73.2519 16.2622 16.7438 15.694 -41.0902 10.2523 17.0249 7.55184 -2.99082 TIMING: 2418800 CPU: 7019.1, 0.00287817/step Wall: 7019.1, 0.00287817/step, 2.06365 hours remaining, 207.871094 MB of memory in use. ENERGY: 2418800 810.8660 2074.3280 1991.7777 129.1620 -205923.3576 17337.2029 0.0000 0.0000 34415.9902 -149164.0308 300.5634 -183580.0210 -149061.5129 300.2067 -351.8943 -311.8793 557413.6498 9.9769 9.7236 PRESSURE: 2419000 -160.518 22.5318 119.783 22.5324 -244.873 -67.9036 119.784 -67.9041 -171.431 GPRESSURE: 2419000 -167.655 53.7739 167.271 16.4279 -272.926 1.32415 103.572 -124.36 -37.2903 PRESSAVG: 2419000 48.5168 -1.03962 10.9928 -1.03955 -23.1524 14.666 10.9929 14.666 23.0384 GPRESSAVG: 2419000 48.1052 -2.0672 12.2688 -2.29468 -23.0753 12.6449 9.92109 13.5999 22.9052 TIMING: 2419000 CPU: 7019.68, 0.00288396/step Wall: 7019.68, 0.00288396/step, 2.06764 hours remaining, 207.871094 MB of memory in use. ENERGY: 2419000 735.3721 2113.0629 1956.4929 117.3601 -206201.6145 17611.0856 0.0000 0.0000 34479.7485 -149188.4923 301.1202 -183668.2408 -149087.7128 299.3845 -192.2738 -159.2903 558896.6270 16.1343 15.9784 PRESSURE: 2419200 -130.424 -74.3208 -38.4837 -74.3216 47.2249 -54.2107 -38.4854 -54.2106 -98.8162 GPRESSURE: 2419200 -44.6464 -52.5122 3.91274 -173.207 66.6156 -20.5986 21.1133 -7.95662 -100.742 PRESSAVG: 2419200 50.9845 21.2841 -21.3422 21.2841 27.1862 22.541 -21.3422 22.5411 -27.4771 GPRESSAVG: 2419200 51.2303 21.6636 -22.5775 21.3459 27.6609 24.5457 -21.5503 22.089 -27.6412 TIMING: 2419200 CPU: 7020.26, 0.00290211/step Wall: 7020.26, 0.00290211/step, 2.08049 hours remaining, 207.871094 MB of memory in use. ENERGY: 2419200 771.8051 2103.9231 1983.6900 126.5252 -206036.9091 17747.7298 0.0000 0.0000 34142.8037 -149160.4322 298.1776 -183303.2359 -149058.3036 299.5678 -60.6719 -26.2575 557746.9431 16.8979 17.0833 PRESSURE: 2419400 -180.849 -87.7656 -81.5678 -87.7659 -217.218 115.103 -81.5678 115.103 171.846 GPRESSURE: 2419400 -198.581 -154.006 -32.0144 2.15629 -130.843 95.9994 -172.745 64.1758 201.196 PRESSAVG: 2419400 19.9409 1.46893 -35.3834 1.46885 -78.9271 23.6363 -35.3834 23.6364 -6.03068 GPRESSAVG: 2419400 20.6491 -0.431178 -35.5616 2.73112 -79.1037 21.4775 -36.4178 24.3278 -6.85631 TIMING: 2419400 CPU: 7020.84, 0.00292186/step Wall: 7020.84, 0.00292186/step, 2.09448 hours remaining, 207.871094 MB of memory in use. ENERGY: 2419400 750.8710 2059.0070 2001.1458 137.2115 -205859.9349 17681.8985 0.0000 0.0000 34266.6296 -148963.1716 299.2590 -183229.8012 -148867.9173 299.4227 -75.4071 -42.7426 558334.6704 -21.6723 -21.7703 PRESSURE: 2419600 -386.987 -111.498 -0.934834 -111.498 -240.633 -149.356 -0.934284 -149.357 -380.743 GPRESSURE: 2419600 -344.291 -29.1787 66.1409 -245.865 -190.557 -91.3651 46.7963 -101.386 -361.836 PRESSAVG: 2419600 -29.1525 -26.5602 15.1393 -26.5601 -69.9701 -1.31028 15.1393 -1.31035 62.7034 GPRESSAVG: 2419600 -29.4873 -25.4165 15.3784 -27.2385 -69.5254 0.628954 18.2986 -1.24768 62.6389 TIMING: 2419600 CPU: 7021.42, 0.0029149/step Wall: 7021.42, 0.0029149/step, 2.08934 hours remaining, 207.871094 MB of memory in use. ENERGY: 2419600 790.9382 2080.9073 1947.1898 124.8736 -205582.7827 17328.6341 0.0000 0.0000 34336.0328 -148974.2068 299.8651 -183310.2397 -148881.1961 299.4910 -336.1208 -298.8950 559104.3341 -12.1397 -12.1246 PRESSURE: 2419800 -89.1858 -61.535 -156.38 -61.5343 -3.83856 127.153 -156.38 127.154 -230.011 GPRESSURE: 2419800 -54.3151 42.9752 -103.537 -142.04 51.807 44.3594 -264.82 157.906 -218.902 PRESSAVG: 2419800 -7.72646 -42.8634 14.789 -42.8635 36.981 20.4213 14.789 20.4213 13.9574 GPRESSAVG: 2419800 -8.31007 -43.0105 16.0699 -41.3692 37.0557 21.6339 12.2253 19.0431 13.6061 TIMING: 2419800 CPU: 7022.01, 0.00292762/step Wall: 7022.01, 0.00292762/step, 2.09829 hours remaining, 207.871094 MB of memory in use. ENERGY: 2419800 798.3359 2063.3180 1975.9526 105.4549 -206150.0554 17848.1174 0.0000 0.0000 34387.7120 -148971.1646 300.3164 -183358.8766 -148868.3523 299.7535 -107.6785 -73.8035 557507.6187 14.4040 14.1173 PRESSURE: 2420000 -331.565 17.4713 17.2328 17.4702 -128.886 60.5791 17.2324 60.5783 -266.029 GPRESSURE: 2420000 -288.791 -2.96013 64.8334 14.1799 -115.455 17.7129 -11.5995 70.7995 -226.953 PRESSAVG: 2420000 32.0044 -15.8497 22.7995 -15.8498 -22.9916 23.3656 22.7994 23.3656 41.4366 GPRESSAVG: 2420000 32.8154 -15.2678 22.3755 -16.4747 -24.1671 22.6405 21.5153 23.5771 41.8921 TIMING: 2420000 CPU: 7022.59, 0.00289563/step Wall: 7022.59, 0.00289563/step, 2.0752 hours remaining, 207.871094 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: 2420000 756.2935 2118.9025 1974.8197 102.7402 -205403.5218 17279.4633 0.0000 0.0000 34171.1551 -149000.1475 298.4252 -183171.3026 -148903.8776 299.4078 -242.1600 -210.3995 557874.0435 16.8165 16.8468 PRESSURE: 2420200 -430.146 6.34733 88.2814 6.34674 61.7626 -213.201 88.2811 -213.201 45.8132 GPRESSURE: 2420200 -407.552 2.70529 111.057 -6.64134 117.008 -164.164 62.4148 -216.022 71.2958 PRESSAVG: 2420200 14.302 19.09 56.9782 19.0899 -40.0696 -73.7294 56.9781 -73.7294 4.47727 GPRESSAVG: 2420200 13.1699 19.1702 56.2403 18.3651 -39.2981 -75.1048 57.6885 -70.7434 4.95929 TIMING: 2420200 CPU: 7023.17, 0.0029189/step Wall: 7023.17, 0.0029189/step, 2.09171 hours remaining, 207.871094 MB of memory in use. ENERGY: 2420200 706.7487 2056.9857 1938.7590 108.2222 -205792.2388 17571.4987 0.0000 0.0000 34255.8429 -149154.1816 299.1648 -183410.0244 -149054.0037 299.3607 -107.5234 -73.0827 558439.0702 -7.0968 -7.0563 LDB: ============= START OF LOAD BALANCING ============== 7026.64 LDB: ============== END OF LOAD BALANCING =============== 7026.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7026.64 LDB: ============= START OF LOAD BALANCING ============== 7026.93 LDB: Largest compute 4821 load 0.032059 is 27.2% of average load 0.117718 LDB: Average compute 0.001728 is 1.5% of average load 0.117718 LDB: TIME 7026.93 LOAD: AVG 0.117718 MAX 0.177583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 7026.94 LOAD: AVG 0.117718 MAX 0.177583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 7026.94 LOAD: AVG 0.117718 MAX 0.177583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7026.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7026.94 PRESSURE: 2420400 -134.092 -9.14332 87.8346 -9.1441 -22.8922 -81.6921 87.8335 -81.693 30.3888 GPRESSURE: 2420400 -130.888 -59.6106 59.4752 15.4942 -25.1337 -72.9996 116.248 -187.249 136.536 PRESSAVG: 2420400 5.46859 -39.7928 5.35701 -39.7927 39.1399 -0.104305 5.35696 -0.104172 -4.2641 GPRESSAVG: 2420400 6.09281 -39.3801 6.49001 -38.3714 38.7161 2.87818 6.51114 -3.32868 -4.27434 TIMING: 2420400 CPU: 7023.77, 0.00296527/step Wall: 7023.77, 0.00296527/step, 2.12478 hours remaining, 206.136719 MB of memory in use. ENERGY: 2420400 733.5639 2119.5683 1943.2320 114.5837 -205990.6174 17711.4160 0.0000 0.0000 34416.5716 -148951.6820 300.5685 -183368.2536 -148853.7029 299.5664 -42.1983 -6.4953 557976.8885 13.4481 13.5115 PRESSURE: 2420600 -20.2309 -5.06102 -116.217 -5.0616 -54.1106 -78.1812 -116.217 -78.1822 -154.122 GPRESSURE: 2420600 23.4885 52.4843 -16.3861 3.10613 -45.6106 4.00069 -162.152 -81.2645 -114.923 PRESSAVG: 2420600 -33.7794 -32.9604 -2.77103 -32.9603 -0.0440915 -5.01746 -2.77106 -5.01744 -21.8266 GPRESSAVG: 2420600 -33.7051 -33.7058 -3.03831 -33.8344 0.485047 -6.13123 -4.08504 -4.23729 -22.7751 TIMING: 2420600 CPU: 7024.35, 0.00291108/step Wall: 7024.35, 0.00291108/step, 2.08579 hours remaining, 206.378906 MB of memory in use. ENERGY: 2420600 721.4268 2118.5903 1940.5566 123.2646 -205868.0435 17718.6588 0.0000 0.0000 34428.1290 -148817.4175 300.6694 -183245.5465 -148722.5501 299.4655 -76.1546 -45.6817 558897.5630 -18.5500 -18.6650 PRESSURE: 2420800 -184.352 -3.96606 18.6227 -3.96751 -158.658 58.718 18.6225 58.7163 61.086 GPRESSURE: 2420800 -166.661 -58.6444 54.1838 28.7108 -165.204 84.6009 37.8802 18.8508 136.588 PRESSAVG: 2420800 -13.8628 -47.1313 15.0369 -47.1312 -47.6496 -17.2073 15.037 -17.2073 72.8599 GPRESSAVG: 2420800 -13.1393 -46.9761 14.4226 -46.9323 -49.5346 -17.8451 14.8382 -17.4923 73.5465 TIMING: 2420800 CPU: 7024.93, 0.00289647/step Wall: 7024.93, 0.00289647/step, 2.07516 hours remaining, 206.378906 MB of memory in use. ENERGY: 2420800 750.0412 2094.7297 1979.4351 105.6987 -205645.5614 17764.5348 0.0000 0.0000 34033.3887 -148917.7333 297.2220 -182951.1220 -148825.7222 299.6355 -93.9748 -65.0925 559169.6628 3.7825 3.6242 PRESSURE: 2421000 -100.243 -111.68 -19.2653 -111.681 26.3652 49.0959 -19.2644 49.0965 190.145 GPRESSURE: 2421000 -45.6882 -154.583 -83.7881 -49.3391 31.88 12.6029 7.50234 79.0857 231.966 PRESSAVG: 2421000 53.5993 19.6218 -1.32536 19.6217 -57.248 -49.0917 -1.32535 -49.0917 24.8727 GPRESSAVG: 2421000 54.6231 20.6705 -1.62851 19.8052 -56.5088 -50.7274 0.661256 -48.798 23.107 TIMING: 2421000 CPU: 7025.5, 0.00288615/step Wall: 7025.5, 0.00288615/step, 2.06761 hours remaining, 206.378906 MB of memory in use. ENERGY: 2421000 726.5883 2094.3529 1945.8999 111.2279 -206026.3272 17824.5587 0.0000 0.0000 34382.2738 -148941.4257 300.2689 -183323.6995 -148848.0984 299.5448 38.7559 72.7194 557470.0058 7.0746 7.0737 PRESSURE: 2421200 -301.597 11.4372 102.471 11.4381 -254.364 48.0796 102.471 48.0791 53.5242 GPRESSURE: 2421200 -243.677 24.7878 139.88 20.0135 -248.265 10.3244 89.229 134.164 92.8459 PRESSAVG: 2421200 -5.24739 35.5558 -2.72584 35.5558 -90.3188 -45.1976 -2.72587 -45.1976 71.6075 GPRESSAVG: 2421200 -7.01707 34.9828 -2.66322 33.93 -89.4098 -43.724 -5.76396 -45.3124 73.2287 TIMING: 2421200 CPU: 7026.08, 0.00290242/step Wall: 7026.08, 0.00290242/step, 2.0791 hours remaining, 206.378906 MB of memory in use. ENERGY: 2421200 750.2286 2097.6008 1945.9836 131.7129 -205639.8084 17527.2397 0.0000 0.0000 34210.8976 -148976.1452 298.7723 -183187.0428 -148881.7145 300.1466 -167.4791 -133.0320 559288.9856 -7.9862 -7.7327 PRESSURE: 2421400 10.8033 -81.1118 64.8272 -81.1109 -13.0363 179.011 64.8271 179.011 196.491 GPRESSURE: 2421400 19.5624 -70.4435 69.9486 -90.2271 38.1337 139.719 -18.3349 197.738 224.918 PRESSAVG: 2421400 28.5464 -4.67123 -89.1226 -4.67133 -46.3607 -32.905 -89.1226 -32.9051 71.8573 GPRESSAVG: 2421400 28.9324 -1.93535 -88.6741 -5.68895 -47.1162 -33.916 -87.6316 -32.0607 72.0641 TIMING: 2421400 CPU: 7026.67, 0.00290757/step Wall: 7026.67, 0.00290757/step, 2.08263 hours remaining, 206.378906 MB of memory in use. ENERGY: 2421400 712.3153 2038.5199 1959.1420 110.5221 -206008.2254 17888.8396 0.0000 0.0000 34481.0980 -148817.7886 301.1320 -183298.8866 -148719.2653 300.9233 64.7526 94.2047 559323.6474 18.0143 17.9601 PRESSURE: 2421600 216.985 -120.618 -16.7715 -120.618 -50.2041 -156.357 -16.7713 -156.358 235.054 GPRESSURE: 2421600 286.194 -87.2509 -13.1292 -177.224 -48.2468 -211.03 -15.7118 -135.287 252.486 PRESSAVG: 2421600 46.9782 -28.5915 -37.6157 -28.5916 -60.6248 17.2512 -37.6157 17.2512 18.5109 GPRESSAVG: 2421600 47.7999 -33.3612 -38.0076 -24.0819 -60.7452 19.5465 -38.1741 15.6941 17.7638 TIMING: 2421600 CPU: 7027.24, 0.0028926/step Wall: 7027.24, 0.0028926/step, 2.07174 hours remaining, 206.378906 MB of memory in use. ENERGY: 2421600 746.3173 2138.0334 1930.7666 107.7674 -206020.0497 17972.1328 0.0000 0.0000 34392.3171 -148732.7151 300.3567 -183125.0323 -148642.0913 300.4504 133.9448 163.4777 558529.5328 1.6214 1.6062 PRESSURE: 2421800 352.185 125.749 -43.4251 125.748 336.349 -78.3217 -43.425 -78.3213 97.9613 GPRESSURE: 2421800 390.527 96.1381 55.7887 86.0223 338.621 -100.626 -26.8872 -43.1731 153.046 PRESSAVG: 2421800 37.0847 -8.89327 21.1472 -8.89325 -15.9407 40.4698 21.1472 40.4698 -24.6018 GPRESSAVG: 2421800 36.0086 -6.0498 22.148 -12.0135 -15.1228 40.4094 20.7595 41.3111 -25.0931 TIMING: 2421800 CPU: 7027.82, 0.00289165/step Wall: 7027.82, 0.00289165/step, 2.0709 hours remaining, 206.378906 MB of memory in use. ENERGY: 2421800 710.9937 2093.2462 1974.1207 105.5134 -206070.9377 18143.9894 0.0000 0.0000 34499.1689 -148543.9054 301.2898 -183043.0743 -148439.1339 300.7858 262.1651 294.0649 558005.9421 -1.1526 -1.4024 PRESSURE: 2422000 -23.4546 105.062 -5.67861 105.061 -8.44201 75.1097 -5.67937 75.1075 98.8969 GPRESSURE: 2422000 45.2659 115.033 -22.87 83.6723 -36.9911 78.7054 -28.7897 87.7753 155.807 PRESSAVG: 2422000 -27.17 0.789275 64.4395 0.789258 -3.52983 16.9358 64.4395 16.9357 34.0689 GPRESSAVG: 2422000 -27.3644 -0.531472 62.294 1.84223 -4.40104 17.0128 63.7962 16.2059 35.2879 TIMING: 2422000 CPU: 7028.41, 0.00292497/step Wall: 7028.41, 0.00292497/step, 2.0946 hours remaining, 206.378906 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: 2422000 705.0237 2102.4980 1971.9805 123.6965 -205897.5514 17752.4724 0.0000 0.0000 34547.2602 -148694.6200 301.7098 -183241.8803 -148591.9322 300.5470 22.3334 54.6939 558279.5895 1.1230 1.1742 PRESSURE: 2422200 -145.828 24.6407 -55.5046 24.6408 -14.9731 -75.0581 -55.5054 -75.0557 433.677 GPRESSURE: 2422200 -164.269 -14.6749 -71.0771 70.5191 -13.0087 -36.283 -87.1394 -104.653 557.552 PRESSAVG: 2422200 -74.8748 33.8316 -3.94131 33.8316 60.2702 3.33266 -3.94136 3.33269 56.9341 GPRESSAVG: 2422200 -73.9731 32.8893 -0.813994 34.4318 59.3365 2.79478 -2.29352 4.45621 56.8602 TIMING: 2422200 CPU: 7028.99, 0.00289256/step Wall: 7028.99, 0.00289256/step, 2.07123 hours remaining, 206.378906 MB of memory in use. ENERGY: 2422200 750.7220 2080.0455 1955.3306 105.2727 -205860.1432 17923.2583 0.0000 0.0000 34386.9384 -148658.5757 300.3097 -183045.5141 -148568.0760 300.9038 90.9587 126.7582 558771.1160 14.1098 14.0746 PRESSURE: 2422400 54.2058 -169.64 -76.3291 -169.639 61.1279 -73.4618 -76.3276 -73.4634 -212.458 GPRESSURE: 2422400 45.2819 -156.785 -25.1618 -169.288 80.5983 -44.4618 -105.18 -104.233 -124.868 PRESSAVG: 2422400 -33.2176 -29.126 40.8838 -29.1261 32.1486 -16.2016 40.8838 -16.2015 -3.88208 GPRESSAVG: 2422400 -33.723 -26.2892 39.0884 -28.2052 33.4013 -16.7327 40.6151 -13.7903 -4.46832 TIMING: 2422400 CPU: 7029.56, 0.0028883/step Wall: 7029.56, 0.0028883/step, 2.06802 hours remaining, 206.378906 MB of memory in use. ENERGY: 2422400 740.4689 2050.1620 1957.6135 106.7905 -205698.4162 17599.8118 0.0000 0.0000 34620.1455 -148623.4240 302.3463 -183243.5694 -148528.5232 300.4917 -32.3749 0.3374 557168.4979 -1.6503 -1.5967 PRESSURE: 2422600 -165.543 17.656 -47.2418 17.6551 22.001 167.184 -47.2421 167.186 8.06593 GPRESSURE: 2422600 -107.569 60.4613 -36.6399 -31.6399 83.0173 180.671 -43.5444 113.239 5.15898 PRESSAVG: 2422600 -9.02326 -55.1889 -22.7965 -55.1888 30.5273 2.01736 -22.7964 2.0174 -59.442 GPRESSAVG: 2422600 -8.48138 -54.8118 -23.9124 -58.2436 29.4748 2.34896 -21.5279 -1.35979 -58.6577 TIMING: 2422600 CPU: 7030.15, 0.00291065/step Wall: 7030.15, 0.00291065/step, 2.08386 hours remaining, 206.378906 MB of memory in use. ENERGY: 2422600 752.5688 2105.6478 1960.4105 96.9739 -205480.2002 17621.4361 0.0000 0.0000 34383.9839 -148559.1792 300.2839 -182943.1630 -148461.0470 301.2203 -45.1588 -6.4643 558536.7088 -12.6460 -12.5548 PRESSURE: 2422800 143.06 -77.4146 -68.2656 -77.4145 -173.631 23.0599 -68.2664 23.0595 132.958 GPRESSURE: 2422800 189.13 43.427 -37.6003 -126.384 -121.296 44.0342 -156.267 1.20425 117.624 PRESSAVG: 2422800 39.7686 -47.1593 27.7855 -47.1593 28.0522 -49.1283 27.7854 -49.1283 -55.4415 GPRESSAVG: 2422800 39.9107 -48.3921 28.0778 -44.5048 26.7093 -50.9901 27.2213 -47.6314 -54.514 TIMING: 2422800 CPU: 7030.72, 0.00288267/step Wall: 7030.72, 0.00288267/step, 2.06367 hours remaining, 206.378906 MB of memory in use. ENERGY: 2422800 686.7255 2088.1746 1980.6445 109.4700 -205612.1687 17527.1347 0.0000 0.0000 34541.2292 -148678.7902 301.6571 -183220.0194 -148577.2201 300.9060 34.1286 61.8192 557114.5064 4.1265 4.0353 PRESSURE: 2423000 -232.527 106.71 -63.709 106.709 150.667 50.0529 -63.7096 50.0527 -191.12 GPRESSURE: 2423000 -167.477 136.328 -25.0268 13.3659 119.882 136.764 -75.0237 46.2441 -130.239 PRESSAVG: 2423000 -12.1187 -17.8898 -10.599 -17.8898 -26.5462 -31.3665 -10.599 -31.3666 55.0015 GPRESSAVG: 2423000 -13.0994 -18.7185 -9.23256 -18.1017 -24.2299 -28.9098 -11.5152 -30.9687 53.4883 TIMING: 2423000 CPU: 7031.31, 0.00292298/step Wall: 7031.31, 0.00292298/step, 2.09237 hours remaining, 206.378906 MB of memory in use. ENERGY: 2423000 709.3971 2130.0568 1967.9024 110.3076 -205786.2972 17758.3848 0.0000 0.0000 34389.8647 -148720.3838 300.3352 -183110.2485 -148619.6826 301.1021 -90.9935 -59.2780 559470.2041 5.4455 5.3863 PRESSURE: 2423200 -169.251 134.334 -103.434 134.333 -102.304 40.2321 -103.433 40.2327 -73.6065 GPRESSURE: 2423200 -144.933 71.633 -163.858 120.096 -70.2324 -0.851001 -122.264 34.0582 -27.6504 PRESSAVG: 2423200 4.34339 32.4667 -2.20041 32.4667 15.4465 -28.3929 -2.20045 -28.393 4.77413 GPRESSAVG: 2423200 4.84232 34.0453 -3.54693 30.9578 15.5866 -29.4845 -0.17246 -29.986 4.26861 TIMING: 2423200 CPU: 7031.89, 0.00289134/step Wall: 7031.89, 0.00289134/step, 2.06955 hours remaining, 206.609375 MB of memory in use. ENERGY: 2423200 793.8386 2057.5569 1979.0049 102.4683 -205975.2220 17772.0137 0.0000 0.0000 34376.6659 -148893.6736 300.2200 -183270.3394 -148799.7538 300.0481 -115.0539 -80.9386 558389.5199 8.1880 8.2325 PRESSURE: 2423400 -142.879 -141.534 -80.0786 -141.534 66.1089 100.191 -80.0764 100.191 -521.069 GPRESSURE: 2423400 -135.265 -124.501 -114.753 -173.51 95.292 160.51 -90.4671 34.0309 -455.977 PRESSAVG: 2423400 32.0727 18.0616 -8.70101 18.0616 -25.1678 -25.659 -8.70096 -25.6589 -13.51 GPRESSAVG: 2423400 31.0609 17.1112 -8.99272 19.2591 -24.8288 -25.9793 -10.8445 -24.0071 -12.9298 TIMING: 2423400 CPU: 7032.46, 0.00289083/step Wall: 7032.46, 0.00289083/step, 2.06903 hours remaining, 206.609375 MB of memory in use. ENERGY: 2423400 727.3741 2057.2471 1970.5189 103.5362 -205637.2626 17454.4813 0.0000 0.0000 34481.7910 -148842.3139 301.1381 -183324.1049 -148752.7263 300.0315 -199.2794 -165.3166 558103.9296 -2.2017 -2.2326 PRESSURE: 2423600 54.8877 233.726 -49.9702 233.726 33.4101 25.1206 -49.9718 25.121 -3.4963 GPRESSURE: 2423600 82.5133 220.257 -89.1488 159.342 61.7191 70.681 -3.64199 -101.905 34.401 PRESSAVG: 2423600 16.9234 40.2267 -10.7623 40.2267 104.138 -7.17209 -10.7624 -7.172 -30.344 GPRESSAVG: 2423600 17.8145 39.5402 -11.742 42.6139 102.507 -5.93584 -10.0364 -8.64631 -29.5958 TIMING: 2423600 CPU: 7033.04, 0.00286517/step Wall: 7033.04, 0.00286517/step, 2.05051 hours remaining, 206.609375 MB of memory in use. ENERGY: 2423600 711.2306 2017.5933 1955.5348 115.4049 -205871.2260 17774.6683 0.0000 0.0000 34203.3242 -149093.4701 298.7061 -183296.7943 -148998.2614 299.7625 28.2672 59.5445 557175.9503 30.2390 30.2419 PRESSURE: 2423800 298.198 -17.6698 149.115 -17.6712 54.7198 11.5048 149.116 11.504 -73.6188 GPRESSURE: 2423800 324.74 -35.5074 149.161 -61.7195 84.1583 -53.3737 206.51 82.2666 -26.4155 PRESSAVG: 2423800 20.1497 -11.3739 37.2334 -11.3741 -36.6807 17.4552 37.2334 17.4554 -28.7963 GPRESSAVG: 2423800 20.4972 -10.5872 38.842 -15.3276 -35.3898 17.4784 37.156 18.0675 -29.7751 TIMING: 2423800 CPU: 7033.61, 0.00287998/step Wall: 7033.61, 0.00287998/step, 2.06094 hours remaining, 206.609375 MB of memory in use. ENERGY: 2423800 781.2974 1968.3882 2005.1232 122.9867 -206171.9873 18000.3506 0.0000 0.0000 34194.2247 -149099.6164 298.6267 -183293.8412 -149003.9841 299.2625 93.0998 127.4942 557208.0803 -15.1091 -14.8893 PRESSURE: 2424000 57.3976 -166.822 -43.5105 -166.821 17.7395 -93.5331 -43.5106 -93.5325 -56.5463 GPRESSURE: 2424000 42.3886 -208.176 -97.3146 -190.596 66.3885 -78.7358 -27.41 -228.895 9.81144 PRESSAVG: 2424000 -1.89381 4.24194 43.6163 4.2419 45.5404 -18.8033 43.6163 -18.8034 2.64692 GPRESSAVG: 2424000 -2.81936 4.63831 44.1742 7.24534 44.7687 -18.3175 42.664 -18.1989 3.77142 TIMING: 2424000 CPU: 7034.19, 0.00288827/step Wall: 7034.19, 0.00288827/step, 2.06672 hours remaining, 206.609375 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: 2424000 716.0986 2057.9645 1951.4644 109.0378 -205981.8544 17794.3155 0.0000 0.0000 34422.1440 -148930.8295 300.6171 -183352.9735 -148830.1077 299.8230 6.1969 39.5295 559271.0202 15.4312 15.2403 PRESSURE: 2424200 -65.7351 42.1516 269.751 42.1506 -78.549 -55.9805 269.752 -55.981 -199.589 GPRESSURE: 2424200 -28.5376 -17.786 302.841 54.7251 -47.4624 -95.7714 240.27 -12.7798 -174.453 PRESSAVG: 2424200 -87.2896 -83.959 13.5783 -83.9591 18.1759 -21.7103 13.5784 -21.7103 78.1346 GPRESSAVG: 2424200 -86.5148 -85.3185 14.3122 -83.4475 18.1048 -24.1977 13.1351 -20.0965 76.7684 TIMING: 2424200 CPU: 7034.77, 0.00289452/step Wall: 7034.77, 0.00289452/step, 2.07103 hours remaining, 206.609375 MB of memory in use. ENERGY: 2424200 727.9070 2117.9846 1964.4830 99.2859 -205785.7584 17579.2638 0.0000 0.0000 34313.3429 -148983.4911 299.6670 -183296.8340 -148890.7898 299.6218 -114.6243 -83.4844 558684.9623 3.0070 2.7861 LDB: ============= START OF LOAD BALANCING ============== 7038.24 LDB: ============== END OF LOAD BALANCING =============== 7038.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7038.24 LDB: ============= START OF LOAD BALANCING ============== 7038.52 LDB: Largest compute 4821 load 0.032353 is 27.5% of average load 0.117724 LDB: Average compute 0.001722 is 1.5% of average load 0.117724 LDB: TIME 7038.53 LOAD: AVG 0.117724 MAX 0.176246 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7038.53 LOAD: AVG 0.117724 MAX 0.176246 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 7038.53 LOAD: AVG 0.117724 MAX 0.176246 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7038.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7038.53 PRESSURE: 2424400 -30.9392 125.859 199.762 125.861 30.7049 65.8373 199.762 65.837 -195.212 GPRESSURE: 2424400 4.13275 117.052 199.65 113.717 29.4034 124.124 248.825 124.974 -136.131 PRESSAVG: 2424400 -42.1419 -30.3318 46.5921 -30.3318 31.5352 1.361 46.5921 1.36096 33.8839 GPRESSAVG: 2424400 -41.2051 -29.8501 44.6952 -33.4678 32.0404 1.76895 46.9051 0.362553 32.7819 TIMING: 2424400 CPU: 7035.36, 0.00294367/step Wall: 7035.36, 0.00294367/step, 2.10603 hours remaining, 206.542969 MB of memory in use. ENERGY: 2424400 740.4533 2115.2122 1945.5301 114.2389 -205811.3767 17573.7623 0.0000 0.0000 34445.2411 -148876.9388 300.8189 -183322.1798 -148782.1758 299.7906 -65.1487 -34.1983 557374.6105 7.7591 7.8724 PRESSURE: 2424600 -159.832 -75.8939 76.3426 -75.8939 -517.12 87.9148 76.3433 87.9148 -303.57 GPRESSURE: 2424600 -125.775 -66.0127 49.4676 -96.2466 -472.39 14.5152 49.4836 168.96 -289.144 PRESSAVG: 2424600 50.5126 21.212 -3.90276 21.2119 -42.8214 9.34153 -3.90272 9.34149 42.284 GPRESSAVG: 2424600 49.5749 19.4549 -4.72379 23.4407 -42.6095 10.3558 -0.696133 9.01642 43.0378 TIMING: 2424600 CPU: 7035.93, 0.00288057/step Wall: 7035.93, 0.00288057/step, 2.06073 hours remaining, 206.742188 MB of memory in use. ENERGY: 2424600 769.9691 2061.4159 1967.3116 119.6730 -205105.3299 17269.5281 0.0000 0.0000 33996.2441 -148921.1880 296.8977 -182917.4321 -148826.2726 299.4012 -326.8408 -295.7696 560087.1781 16.6584 16.6677 PRESSURE: 2424800 225.078 -16.4209 6.90798 -16.4201 -60.6295 85.5979 6.90772 85.5976 210.196 GPRESSURE: 2424800 281.952 -0.228577 -1.06291 34.1056 -8.26684 73.2705 60.6432 100.376 215.76 PRESSAVG: 2424800 -10.8618 -10.6618 22.8514 -10.6618 -15.3906 -18.114 22.8513 -18.114 14.1136 GPRESSAVG: 2424800 -10.1441 -8.20716 23.9013 -12.0733 -15.6953 -18.3911 21.7617 -17.449 13.7523 TIMING: 2424800 CPU: 7036.52, 0.00292003/step Wall: 7036.52, 0.00292003/step, 2.08879 hours remaining, 206.742188 MB of memory in use. ENERGY: 2424800 738.9727 2081.9492 1970.9873 128.7975 -206262.5564 18073.0654 0.0000 0.0000 34222.4616 -149046.3226 298.8733 -183268.7842 -148955.9471 299.2860 124.8815 163.1484 558757.1194 -4.0463 -4.0290 PRESSURE: 2425000 207.511 -77.7833 -41.2958 -77.7828 127.876 -24.9336 -41.2972 -24.9315 -121.336 GPRESSURE: 2425000 202.147 -81.4929 15.7728 -81.9761 112.399 -52.2157 -89.239 -114.868 3.71162 PRESSAVG: 2425000 -1.94132 -3.47999 12.426 -3.48002 -24.4123 54.3059 12.426 54.306 -8.52155 GPRESSAVG: 2425000 -2.24827 -4.46933 13.3239 -2.93182 -25.3191 55.4859 9.53208 51.3953 -7.31298 TIMING: 2425000 CPU: 7037.1, 0.0029078/step Wall: 7037.1, 0.0029078/step, 2.07988 hours remaining, 206.812500 MB of memory in use. ENERGY: 2425000 727.6220 2079.5281 1964.6123 110.5052 -205998.4260 17892.7280 0.0000 0.0000 34064.3425 -149159.0878 297.4924 -183223.4303 -149061.7619 299.3347 71.3504 106.0861 558235.4205 -11.6250 -11.6268 PRESSURE: 2425200 91.9895 114.792 -3.87101 114.792 19.3699 -1.20851 -3.87125 -1.20973 -91.9337 GPRESSURE: 2425200 104.208 68.483 -12.2993 144.493 36.6402 -12.4105 29.4573 31.7839 -18.6157 PRESSAVG: 2425200 -91.1966 -3.6821 9.41704 -3.68211 32.2611 5.24945 9.41713 5.24947 63.599 GPRESSAVG: 2425200 -91.7086 -3.5902 10.8455 -2.7515 32.4892 3.74908 9.13359 8.59557 63.3418 TIMING: 2425200 CPU: 7037.68, 0.00290548/step Wall: 7037.68, 0.00290548/step, 2.07806 hours remaining, 206.812500 MB of memory in use. ENERGY: 2425200 720.5011 2107.3316 1947.0893 106.4316 -205542.2085 17779.1055 0.0000 0.0000 34024.1608 -148857.5887 297.1415 -182881.7495 -148753.6523 299.1424 6.4753 40.7440 557876.1915 1.5545 1.3742 PRESSURE: 2425400 -185.337 19.1924 -0.922296 19.1922 -43.3899 -11.5288 -0.921424 -11.5296 69.2653 GPRESSURE: 2425400 -157.462 93.4785 -1.73205 -33.0646 22.9799 47.9264 21.6113 92.026 60.1618 PRESSAVG: 2425400 -62.3249 -7.33091 -2.09382 -7.33083 -28.7744 40.6774 -2.09384 40.6774 33.0396 GPRESSAVG: 2425400 -62.1563 -6.06377 -5.48404 -9.28673 -29.1915 43.043 0.208841 37.5973 33.4185 TIMING: 2425400 CPU: 7038.26, 0.0029001/step Wall: 7038.26, 0.0029001/step, 2.07406 hours remaining, 206.812500 MB of memory in use. ENERGY: 2425400 764.8739 2070.1126 1957.5141 108.4926 -205720.0044 17642.1200 0.0000 0.0000 34220.9625 -148955.9286 298.8602 -183176.8911 -148864.0377 299.2527 -53.1538 -24.7734 558435.0472 -19.3532 -19.3098 PRESSURE: 2425600 -234.121 -176.454 68.3073 -176.454 -170.993 -109.265 68.3073 -109.267 14.1961 GPRESSURE: 2425600 -184.245 -174.754 108.198 -180.805 -205.863 -178.62 124.793 -79.3568 83.5789 PRESSAVG: 2425600 1.68469 -0.832599 -22.9321 -0.8325 -30.7504 8.51406 -22.9321 8.51412 30.9142 GPRESSAVG: 2425600 2.42286 -1.79379 -20.1021 -0.185897 -30.3594 7.00042 -24.1935 8.4477 30.6593 TIMING: 2425600 CPU: 7038.84, 0.00289576/step Wall: 7038.84, 0.00289576/step, 2.07079 hours remaining, 206.812500 MB of memory in use. ENERGY: 2425600 773.6913 2076.2768 1928.9026 100.2528 -206100.8184 17725.7082 0.0000 0.0000 34525.7269 -148970.2599 301.5218 -183495.9868 -148869.8875 299.7045 -130.3059 -102.1765 559058.5420 0.6162 0.9076 PRESSURE: 2425800 -129.172 -203.883 -57.8446 -203.883 -31.647 -61.8185 -57.8445 -61.8194 -220.583 GPRESSURE: 2425800 -112.321 -195.378 -15.5043 -142.735 5.77937 -39.6308 -122.124 -100.914 -187.578 PRESSAVG: 2425800 -1.27846 20.6138 -47.5843 20.6138 75.9427 12.146 -47.5842 12.1458 -55.0916 GPRESSAVG: 2425800 -1.1007 18.3939 -49.2282 20.2565 75.73 11.8943 -48.0038 12.9749 -54.3821 TIMING: 2425800 CPU: 7039.42, 0.00290159/step Wall: 7039.42, 0.00290159/step, 2.0748 hours remaining, 206.812500 MB of memory in use. ENERGY: 2425800 719.0934 2076.4819 1976.0350 109.0739 -205592.0105 17454.5661 0.0000 0.0000 34087.7651 -149168.9950 297.6969 -183256.7601 -149071.5620 299.5161 -127.1341 -98.0397 557966.7719 6.5242 6.7491 PRESSURE: 2426000 -168.45 -4.58946 -132.09 -4.59019 -51.959 -168.306 -132.091 -168.307 -455.58 GPRESSURE: 2426000 -169.388 -41.7861 -134.425 -2.82312 25.4795 -199.093 -102.442 -108.735 -445.339 PRESSAVG: 2426000 -63.5166 -6.60269 -8.61447 -6.60282 39.1222 -58.5839 -8.61451 -58.584 -0.507636 GPRESSAVG: 2426000 -64.1204 -5.26354 -9.30618 -2.79571 40.8393 -59.4608 -7.85299 -56.373 -1.69687 TIMING: 2426000 CPU: 7040, 0.00288791/step Wall: 7040, 0.00288791/step, 2.06486 hours remaining, 206.812500 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: 2426000 760.6137 2135.7777 1936.5514 122.0654 -205876.4676 17450.6948 0.0000 0.0000 34247.1737 -149223.5908 299.0891 -183470.7645 -149128.9169 298.9290 -225.3299 -196.4158 558556.7561 -8.3007 -8.3260 PRESSURE: 2426200 72.1489 71.8472 -36.5765 71.8479 -115.281 -9.9296 -36.5774 -9.92872 113.774 GPRESSURE: 2426200 83.0431 126.117 -52.2681 -13.0347 -47.6173 47.0658 -47.2974 -24.4797 153.765 PRESSAVG: 2426200 -59.9647 -15.9062 -21.7328 -15.9062 50.6244 -66.1336 -21.7327 -66.1337 13.6389 GPRESSAVG: 2426200 -60.5138 -15.6379 -22.1122 -20.8851 49.3551 -64.1715 -20.1256 -68.3503 15.413 TIMING: 2426200 CPU: 7040.58, 0.00289213/step Wall: 7040.58, 0.00289213/step, 2.06771 hours remaining, 206.812500 MB of memory in use. ENERGY: 2426200 741.5696 2109.3224 1957.5101 109.2683 -206166.2136 17774.2582 0.0000 0.0000 34345.0514 -149129.2337 299.9439 -183474.2850 -149030.0605 298.6565 23.5474 63.0638 557239.9100 1.4329 1.4181 PRESSURE: 2426400 181.888 -87.6079 -96.5917 -87.6075 -44.3507 14.8366 -96.5913 14.8368 -135.598 GPRESSURE: 2426400 221.944 -78.4567 -90.5127 -69.1448 55.9658 16.6084 -103.993 52.0152 -162.659 PRESSAVG: 2426400 4.94513 -22.0558 -19.9456 -22.0559 -1.60862 -9.73356 -19.9455 -9.73368 2.82919 GPRESSAVG: 2426400 5.43092 -22.5661 -18.7781 -19.6914 -0.816287 -11.128 -21.5921 -10.1505 1.8586 TIMING: 2426400 CPU: 7041.16, 0.00290129/step Wall: 7041.16, 0.00290129/step, 2.0741 hours remaining, 206.812500 MB of memory in use. ENERGY: 2426400 750.2288 2117.2207 1973.4954 106.3101 -206175.1647 17839.4847 0.0000 0.0000 34234.0832 -149154.3419 298.9748 -183388.4251 -149061.3211 299.2256 0.6464 38.4168 557991.3292 2.0552 2.1577 PRESSURE: 2426600 -9.5469 35.2041 28.7802 35.2051 48.9852 2.93076 28.7791 2.93198 176.292 GPRESSURE: 2426600 39.1021 -14.8097 -59.578 27.6039 81.9627 -14.7253 57.4612 -42.0291 196.291 PRESSAVG: 2426600 -28.5032 -49.0955 -28.3061 -49.0956 -26.9675 46.8833 -28.3061 46.8833 33.8025 GPRESSAVG: 2426600 -27.7782 -48.7804 -27.0939 -51.7376 -27.1405 46.2064 -28.3766 46.4566 33.6863 TIMING: 2426600 CPU: 7041.74, 0.00289655/step Wall: 7041.74, 0.00289655/step, 2.07055 hours remaining, 206.812500 MB of memory in use. ENERGY: 2426600 741.5983 2137.7230 1966.2514 99.9505 -206424.5894 17982.5449 0.0000 0.0000 34338.0654 -149158.4558 299.8829 -183496.5212 -149060.6693 299.6594 71.9102 105.7854 557629.2321 -7.2228 -7.0775 PRESSURE: 2426800 265.869 -72.5312 8.67591 -72.5315 119.258 -162.892 8.67533 -162.893 200.57 GPRESSURE: 2426800 307.022 -74.7381 -26.5248 4.3659 160.73 -143.141 -20.0716 -176.012 210.809 PRESSAVG: 2426800 -41.6843 -25.3828 2.88436 -25.3829 8.38432 -3.84752 2.88434 -3.84741 -38.0112 GPRESSAVG: 2426800 -42.5919 -26.1308 1.58639 -24.1755 8.44433 -2.42516 2.55133 -4.69273 -37.4557 TIMING: 2426800 CPU: 7042.31, 0.00287681/step Wall: 7042.31, 0.00287681/step, 2.05628 hours remaining, 206.812500 MB of memory in use. ENERGY: 2426800 732.8906 2118.8018 1939.8894 120.9527 -206532.0847 18149.3605 0.0000 0.0000 34250.7357 -149219.4540 299.1202 -183470.1897 -149119.8020 299.6777 195.2322 226.1869 557479.8122 -23.7704 -23.8678 PRESSURE: 2427000 -375.001 11.3697 -34.5939 11.3708 -189.604 21.0684 -34.5927 21.0678 -267.199 GPRESSURE: 2427000 -290.574 11.2773 -34.151 60.2996 -168.211 63.9236 -32.6662 38.275 -279.27 PRESSAVG: 2427000 -11.189 18.532 13.3701 18.532 -19.6249 6.87009 13.3701 6.87023 7.58255 GPRESSAVG: 2427000 -11.4083 18.7635 12.0298 18.6424 -20.3277 6.02295 14.9533 8.74105 8.14754 TIMING: 2427000 CPU: 7042.89, 0.00288225/step Wall: 7042.89, 0.00288225/step, 2.06001 hours remaining, 206.812500 MB of memory in use. ENERGY: 2427000 803.7338 2082.7736 1964.3109 114.0206 -205996.4072 17506.2781 0.0000 0.0000 34482.3620 -149042.9282 301.1430 -183525.2902 -148945.0707 299.7965 -277.2682 -246.0186 557335.0216 -7.7438 -7.8628 PRESSURE: 2427200 -111.139 7.4727 29.9363 7.4734 -117.842 -84.1142 29.9352 -84.1142 -178.535 GPRESSURE: 2427200 -103.784 70.887 40.3834 -57.4309 -110.641 -51.7704 72.2351 -69.7475 -96.2311 PRESSAVG: 2427200 -40.5635 -29.8523 -29.7837 -29.8522 52.4264 -17.0206 -29.7836 -17.0206 -44.3682 GPRESSAVG: 2427200 -40.6095 -29.5954 -28.1631 -31.2128 52.8853 -17.2305 -31.0395 -17.2376 -44.6311 TIMING: 2427200 CPU: 7043.47, 0.00290001/step Wall: 7043.47, 0.00290001/step, 2.07254 hours remaining, 206.812500 MB of memory in use. ENERGY: 2427200 796.5959 2122.5291 1967.5208 114.7104 -206035.2645 17684.8866 0.0000 0.0000 34409.0386 -148939.9831 300.5027 -183349.0217 -148850.7320 300.3507 -135.8390 -103.5521 557730.0490 -10.8351 -10.7851 PRESSURE: 2427400 210.525 -170.882 1.76925 -170.881 -41.0176 -172.214 1.76855 -172.213 -6.3093 GPRESSURE: 2427400 230.237 -45.3185 38.2789 -221.787 -3.98216 -188.525 -90.9634 -155.959 28.2136 PRESSAVG: 2427400 27.7346 -47.2824 -6.23901 -47.2825 20.2419 -38.2422 -6.23906 -38.2422 -27.9232 GPRESSAVG: 2427400 28.4499 -46.3548 -6.0931 -46.3739 21.3916 -36.7832 -7.09875 -38.5698 -29.5566 TIMING: 2427400 CPU: 7044.05, 0.0028873/step Wall: 7044.05, 0.0028873/step, 2.0633 hours remaining, 206.812500 MB of memory in use. ENERGY: 2427400 781.1838 2094.1135 1985.9322 123.6733 -206097.8604 17871.3389 0.0000 0.0000 34225.5064 -149016.1122 298.8999 -183241.6186 -148920.3110 299.8542 54.3992 84.8230 556505.0283 6.6844 6.7616 PRESSURE: 2427600 -160.822 -42.0346 -83.2627 -42.0361 109.892 -39.8078 -83.262 -39.8074 -203.993 GPRESSURE: 2427600 -128.234 -89.597 -180.326 -35.3072 111.518 -41.495 9.91422 -26.697 -150.579 PRESSAVG: 2427600 2.89575 4.52229 -24.4853 4.52221 -25.9862 -14.167 -24.4854 -14.1669 27.0184 GPRESSAVG: 2427600 2.20029 4.19794 -25.8594 2.95518 -26.6002 -15.9263 -23.4755 -12.9966 28.702 TIMING: 2427600 CPU: 7044.63, 0.00289821/step Wall: 7044.63, 0.00289821/step, 2.07093 hours remaining, 206.812500 MB of memory in use. ENERGY: 2427600 737.5859 2106.8125 1973.5566 116.3965 -206158.5495 17804.6429 0.0000 0.0000 34257.4327 -149162.1225 299.1787 -183419.5552 -149065.8421 299.6929 -84.9744 -55.7651 557402.7726 1.3093 1.4340 PRESSURE: 2427800 -112.578 -53.1612 -12.0756 -53.1612 -50.53 -22.0341 -12.0762 -22.0359 132.307 GPRESSURE: 2427800 -42.1223 -38.0878 34.8324 -56.278 -27.1671 16.7509 4.59365 -30.4687 132.267 PRESSAVG: 2427800 24.1466 -34.9629 -3.18092 -34.9629 -72.4226 42.4356 -3.18092 42.4356 29.9557 GPRESSAVG: 2427800 25.5505 -35.6413 -2.86193 -32.5415 -72.1455 41.9528 -4.17123 40.9315 28.3581 TIMING: 2427800 CPU: 7045.2, 0.0028868/step Wall: 7045.2, 0.0028868/step, 2.06262 hours remaining, 206.812500 MB of memory in use. ENERGY: 2427800 738.0777 2078.0921 1952.7836 118.1194 -206406.3699 17888.9921 0.0000 0.0000 34437.6796 -149192.6255 300.7528 -183630.3050 -149097.6876 299.3099 -10.2668 20.9924 558199.0786 -6.1068 -6.0790 PRESSURE: 2428000 -41.2613 146.243 -128.294 146.243 -125.312 -120.036 -128.294 -120.036 184.984 GPRESSURE: 2428000 32.2806 243.316 -252.058 -12.2505 -122.613 -71.8606 -54.91 -105.522 211.7 PRESSAVG: 2428000 62.0039 29.4025 -10.4619 29.4025 -15.3977 -45.0217 -10.4619 -45.0217 3.8843 GPRESSAVG: 2428000 62.0442 31.1001 -11.2311 29.1952 -15.7458 -45.3572 -7.02679 -43.9858 3.7502 TIMING: 2428000 CPU: 7045.78, 0.00288543/step Wall: 7045.78, 0.00288543/step, 2.06148 hours remaining, 206.812500 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: 2428000 762.2316 2105.8193 1976.4646 118.8377 -206265.9185 17934.3504 0.0000 0.0000 34174.4928 -149193.7222 298.4543 -183368.2150 -149097.5904 299.3386 6.1369 40.4560 557044.9864 16.8302 16.6829 PRESSURE: 2428200 66.7989 -0.36536 86.9825 -0.364832 143.821 103.164 86.982 103.164 -29.2867 GPRESSURE: 2428200 135.054 50.5663 172.532 26.2873 145.845 185.146 9.54484 79.0739 -13.2083 PRESSAVG: 2428200 2.61591 -13.4153 -19.0327 -13.4153 -66.7218 -51.7212 -19.0327 -51.7213 35.6201 GPRESSAVG: 2428200 1.729 -14.5394 -18.525 -13.703 -66.8058 -51.2857 -19.8865 -50.8434 36.2172 TIMING: 2428200 CPU: 7046.36, 0.0028823/step Wall: 7046.36, 0.0028823/step, 2.05908 hours remaining, 206.812500 MB of memory in use. ENERGY: 2428200 718.7969 2102.2932 1988.3380 118.2104 -206155.1483 17957.2322 0.0000 0.0000 34197.9477 -149072.3298 298.6592 -183270.2775 -148964.0600 299.9632 60.4443 89.2300 559348.1984 -9.4953 -9.6199 LDB: ============= START OF LOAD BALANCING ============== 7049.82 LDB: ============== END OF LOAD BALANCING =============== 7049.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7049.83 LDB: ============= START OF LOAD BALANCING ============== 7050.12 LDB: Largest compute 4821 load 0.032607 is 27.7% of average load 0.117834 LDB: Average compute 0.001721 is 1.5% of average load 0.117834 LDB: TIME 7050.12 LOAD: AVG 0.117834 MAX 0.181681 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 7050.12 LOAD: AVG 0.117834 MAX 0.181681 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 7050.12 LOAD: AVG 0.117834 MAX 0.181681 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7050.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7050.13 PRESSURE: 2428400 56.5705 61.7079 -173.329 61.7073 18.3653 41.821 -173.33 41.8222 -150.956 GPRESSURE: 2428400 83.232 96.0405 -113.539 10.6328 59.9923 46.7382 -209.37 -32.4459 -120.545 PRESSAVG: 2428400 24.5751 -16.4762 -44.6948 -16.4763 59.7281 -7.44598 -44.6947 -7.446 -63.9333 GPRESSAVG: 2428400 24.6043 -14.4377 -43.9636 -17.1461 60.7984 -6.33348 -46.1711 -8.6832 -64.7559 TIMING: 2428400 CPU: 7046.95, 0.00297723/step Wall: 7046.95, 0.00297723/step, 2.12674 hours remaining, 205.937500 MB of memory in use. ENERGY: 2428400 747.7971 2108.6310 1993.0011 117.6910 -206316.6740 17950.6004 0.0000 0.0000 34279.5983 -149119.3551 299.3723 -183398.9535 -149035.5033 299.3765 -25.3402 7.5597 558704.4832 6.7899 6.8823 PRESSURE: 2428600 121.979 169.747 9.17468 169.747 106.936 84.165 9.17351 84.1646 48.8549 GPRESSURE: 2428600 228.097 153.192 76.7826 59.6057 122.267 -26.393 -71.0222 90.2737 8.94802 PRESSAVG: 2428600 33.5258 36.6462 20.9164 36.6463 -12.858 8.77695 20.9164 8.77688 -7.57585 GPRESSAVG: 2428600 33.2611 35.1436 19.7159 36.2716 -12.7986 6.72869 19.9567 6.82299 -7.62463 TIMING: 2428600 CPU: 7047.54, 0.00293323/step Wall: 7047.54, 0.00293323/step, 2.09514 hours remaining, 206.140625 MB of memory in use. ENERGY: 2428600 747.2244 2106.8318 1984.6122 102.2887 -206238.9776 17938.0615 0.0000 0.0000 34155.4809 -149204.4781 298.2883 -183359.9590 -149105.0550 299.0036 92.5900 119.7706 557072.2245 4.3640 4.2793 PRESSURE: 2428800 217.87 -102.327 157.989 -102.328 61.3241 -266.957 157.989 -266.957 24.9602 GPRESSURE: 2428800 271.413 -121.723 151.78 -96.7978 106.844 -223.042 189.417 -311.047 23.5975 PRESSAVG: 2428800 13.7138 16.2631 24.7866 16.2631 57.4614 -58.6811 24.7866 -58.6811 -69.954 GPRESSAVG: 2428800 14.7059 14.3954 26.2663 17.6959 55.9964 -56.2794 25.1206 -57.3807 -69.2564 TIMING: 2428800 CPU: 7048.12, 0.00289726/step Wall: 7048.12, 0.00289726/step, 2.06929 hours remaining, 206.140625 MB of memory in use. ENERGY: 2428800 748.3019 2080.0028 1991.9868 113.2566 -206400.9001 18083.4886 0.0000 0.0000 34150.2965 -149233.5669 298.2430 -183383.8634 -149146.0123 298.7821 101.3847 133.9516 557356.4450 0.4071 0.4819 PRESSURE: 2429000 84.2626 75.5785 32.2087 75.5798 97.749 -87.8195 32.2084 -87.8199 -26.4951 GPRESSURE: 2429000 134.883 102.668 8.35334 47.6135 59.5682 -91.6611 -32.6274 -168.423 41.9771 PRESSAVG: 2429000 36.809 55.8726 36.4934 55.8728 8.32225 -15.4682 36.4934 -15.4682 -36.4461 GPRESSAVG: 2429000 35.7106 58.3928 33.9888 55.9555 9.10083 -16.4963 37.9737 -15.2704 -36.2022 TIMING: 2429000 CPU: 7048.69, 0.0028817/step Wall: 7048.69, 0.0028817/step, 2.05801 hours remaining, 206.140625 MB of memory in use. ENERGY: 2429000 747.0029 2048.7960 1956.0983 119.8238 -206148.3996 17894.8958 0.0000 0.0000 34065.4766 -149316.3062 297.5023 -183381.7828 -149217.8872 298.7753 51.8388 78.8095 557561.2680 2.8950 2.8697 PRESSURE: 2429200 15.1351 85.1767 -46.9987 85.1764 186.639 -49.3788 -46.9984 -49.3774 -77.6079 GPRESSURE: 2429200 86.142 134.214 -9.96365 -13.9277 210.001 -68.913 -75.24 -111.864 -68.5191 PRESSAVG: 2429200 -21.5239 38.9567 13.5123 38.9567 37.9261 13.4849 13.5122 13.4849 19.1892 GPRESSAVG: 2429200 -20.4677 39.3517 15.8193 37.5575 38.1941 14.3728 13.2881 12.9265 18.0056 TIMING: 2429200 CPU: 7049.27, 0.00289391/step Wall: 7049.27, 0.00289391/step, 2.06657 hours remaining, 206.285156 MB of memory in use. ENERGY: 2429200 743.6649 2093.9720 1939.1926 123.6908 -206133.0456 17782.5612 0.0000 0.0000 34374.4257 -149075.5383 300.2004 -183449.9640 -148976.7293 299.1021 41.3887 75.8747 556852.2564 11.8638 11.9106 PRESSURE: 2429400 117.964 -52.3831 28.1267 -52.383 187.122 84.8517 28.1274 84.8505 156.689 GPRESSURE: 2429400 115.15 -81.4352 94.4881 -48.2281 232.176 182.185 42.0468 93.2798 215.89 PRESSAVG: 2429400 -28.0444 -1.9768 -22.721 -1.97684 49.2683 -1.39759 -22.7209 -1.39767 -20.029 GPRESSAVG: 2429400 -28.6003 -2.89475 -24.7024 -0.892933 48.6789 -0.442794 -22.3023 -0.100265 -18.7171 TIMING: 2429400 CPU: 7049.85, 0.00290194/step Wall: 7049.85, 0.00290194/step, 2.07215 hours remaining, 206.285156 MB of memory in use. ENERGY: 2429400 706.1100 2117.2332 1951.3755 111.9711 -205980.9711 17818.6095 0.0000 0.0000 34125.5624 -149150.1093 298.0270 -183275.6718 -149051.3122 298.6871 153.9252 187.7385 557389.6173 0.3983 0.4538 PRESSURE: 2429600 55.891 31.8943 108.461 31.8929 -66.331 -154.827 108.463 -154.828 -128.167 GPRESSURE: 2429600 121.882 -4.61991 105.643 74.4921 -53.7372 -213.843 68.4786 -194.016 -128.728 PRESSAVG: 2429600 27.4541 17.5756 -28.6526 17.5756 4.69728 8.74178 -28.6527 8.74177 -58.4964 GPRESSAVG: 2429600 26.454 16.7298 -28.3696 16.6321 5.6829 7.55788 -29.098 9.5013 -58.6558 TIMING: 2429600 CPU: 7050.43, 0.00287875/step Wall: 7050.43, 0.00287875/step, 2.05543 hours remaining, 206.285156 MB of memory in use. ENERGY: 2429600 736.6235 2081.7680 1960.2730 110.2725 -205844.6048 17571.6859 0.0000 0.0000 34156.3120 -149227.6700 298.2956 -183383.9819 -149127.3812 299.1801 -46.2024 -20.1944 557484.6859 -8.7817 -8.8396 PRESSURE: 2429800 -126.846 28.4157 -29.087 28.4155 -464.399 -237.147 -29.0868 -237.147 -82.5541 GPRESSURE: 2429800 -44.033 167.936 25.3679 -8.23811 -465.537 -232.719 11.8504 -177.55 -61.9837 PRESSAVG: 2429800 70.6935 33.9615 -58.75 33.9615 -46.8607 -6.17902 -58.7499 -6.17906 -8.42649 GPRESSAVG: 2429800 71.6704 32.9463 -56.977 36.4854 -48.015 -6.47358 -59.2848 -6.9046 -8.18973 TIMING: 2429800 CPU: 7051.01, 0.00291588/step Wall: 7051.01, 0.00291588/step, 2.08178 hours remaining, 206.285156 MB of memory in use. ENERGY: 2429800 741.6946 2087.8717 1981.8561 117.2167 -205695.0167 17441.2089 0.0000 0.0000 34131.9787 -149193.1899 298.0831 -183325.1686 -149095.4180 298.8571 -224.5996 -190.5178 556404.6922 5.1354 5.1552 PRESSURE: 2430000 209.328 24.5477 -40.6812 24.5473 -4.89041 -23.3164 -40.6828 -23.3161 -27.0995 GPRESSURE: 2430000 237.481 43.6821 15.2509 -81.2819 5.5258 58.9299 -85.685 -92.7581 25.2975 PRESSAVG: 2430000 9.33609 -17.0945 -43.8528 -17.0944 -23.7613 20.318 -43.8528 20.3179 51.0454 GPRESSAVG: 2430000 10.3891 -15.696 -45.7696 -20.1054 -22.8699 21.9931 -42.3579 19.4453 49.4875 TIMING: 2430000 CPU: 7051.59, 0.0028969/step Wall: 7051.59, 0.0028969/step, 2.06807 hours remaining, 206.285156 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: 2430000 731.3855 2060.8647 1965.8923 97.1120 -206095.2423 17821.5159 0.0000 0.0000 34175.3145 -149243.1573 298.4615 -183418.4719 -149147.0455 299.2692 59.1127 89.4347 558070.5820 12.2067 12.3356 PRESSURE: 2430200 223.325 -3.02738 -86.0028 -3.02702 211.468 105.175 -86.0034 105.175 -91.9218 GPRESSURE: 2430200 308.23 -74.1677 -54.5154 88.9042 253.073 92.4849 -42.2043 76.4916 -117.204 PRESSAVG: 2430200 -13.4062 67.0496 17.2086 67.0496 -26.5628 -52.6138 17.2086 -52.6139 14.83 GPRESSAVG: 2430200 -13.8153 67.8392 17.8246 66.3823 -27.3226 -54.0457 17.778 -52.9148 16.0274 TIMING: 2430200 CPU: 7052.17, 0.00288504/step Wall: 7052.17, 0.00288504/step, 2.05944 hours remaining, 206.285156 MB of memory in use. ENERGY: 2430200 715.2346 2109.3673 1966.7122 116.3282 -206120.1705 17855.4400 0.0000 0.0000 34064.4096 -149292.6786 297.4930 -183357.0882 -149203.6768 298.6103 114.2904 148.0330 558069.5694 -8.3797 -8.3701 PRESSURE: 2430400 -1.37044 163.074 146.392 163.074 40.3247 103.326 146.392 103.327 94.2957 GPRESSURE: 2430400 46.964 87.6465 107.51 157.404 84.425 91.9824 116.628 110.445 94.7794 PRESSAVG: 2430400 -20.4515 7.24828 -13.1089 7.24842 54.3622 -11.786 -13.1088 -11.7862 -67.7173 GPRESSAVG: 2430400 -21.8157 6.01974 -10.9961 7.69402 54.9817 -13.6105 -15.7257 -9.82682 -67.4182 TIMING: 2430400 CPU: 7052.75, 0.00289393/step Wall: 7052.75, 0.00289393/step, 2.06562 hours remaining, 206.285156 MB of memory in use. ENERGY: 2430400 764.3124 2082.7369 1970.7087 112.9957 -206418.9643 17919.8046 0.0000 0.0000 34267.5950 -149300.8110 299.2674 -183568.4060 -149206.3509 298.9974 44.4167 75.3895 556545.5421 -11.2689 -11.4174 PRESSURE: 2430600 21.1665 -28.6924 48.0524 -28.6921 -77.12 -7.76657 48.0499 -7.76788 62.0191 GPRESSURE: 2430600 63.4753 -8.37966 19.9267 -44.7601 -61.1126 -20.1248 80.5431 17.7628 100.042 PRESSAVG: 2430600 -26.404 -10.0416 32.7115 -10.0417 19.2409 -10.6099 32.7115 -10.6098 -44.8193 GPRESSAVG: 2430600 -25.5431 -11.5534 30.7522 -8.23463 18.541 -9.36348 31.8957 -10.6993 -44.9512 TIMING: 2430600 CPU: 7053.32, 0.00288369/step Wall: 7053.32, 0.00288369/step, 2.05815 hours remaining, 206.285156 MB of memory in use. ENERGY: 2430600 726.0057 2095.0648 1961.2571 108.5785 -206225.4410 17769.4009 0.0000 0.0000 34267.6886 -149297.4454 299.2682 -183565.1340 -149205.1261 299.1363 2.0219 34.1350 558976.6086 -17.3275 -17.3178 PRESSURE: 2430800 -95.8526 -22.8645 -34.8811 -22.8644 326.983 165.127 -34.8809 165.129 -60.7233 GPRESSURE: 2430800 -112.794 -52.8196 -6.06591 -21.8608 357.623 172.523 -31.084 103.455 22.8104 PRESSAVG: 2430800 -18.3285 -8.1537 0.0493483 -8.15366 26.5721 -35.9238 0.0494455 -35.9237 23.9991 GPRESSAVG: 2430800 -17.9897 -6.8136 0.510095 -8.31795 26.9397 -36.9554 0.534167 -36.6522 23.8058 TIMING: 2430800 CPU: 7053.91, 0.0029078/step Wall: 7053.91, 0.0029078/step, 2.0752 hours remaining, 206.285156 MB of memory in use. ENERGY: 2430800 755.1936 2141.3696 1948.5452 113.2015 -206156.6954 17854.3528 0.0000 0.0000 34099.4811 -149244.5516 297.7992 -183344.0327 -149149.8368 298.7846 56.8023 89.2133 558185.3851 10.7476 10.9186 PRESSURE: 2431000 29.8984 -182.686 35.29 -182.684 322.733 -37.4264 35.2898 -37.4264 -201.146 GPRESSURE: 2431000 89.8967 -256.435 -46.5453 -143.014 346.928 -137.802 63.764 15.0345 -189.091 PRESSAVG: 2431000 25.5398 -77.5549 -14.1555 -77.5549 20.147 16.6797 -14.1555 16.6796 -35.6885 GPRESSAVG: 2431000 25.8179 -77.7878 -15.4271 -77.3581 20.5857 17.6731 -12.2295 18.1333 -35.3391 TIMING: 2431000 CPU: 7054.49, 0.00290773/step Wall: 7054.49, 0.00290773/step, 2.07499 hours remaining, 206.285156 MB of memory in use. ENERGY: 2431000 762.3671 2099.6048 1989.4543 107.8038 -206716.0037 18093.0369 0.0000 0.0000 34321.9418 -149341.7949 299.7421 -183663.7368 -149251.5254 298.2198 50.4952 82.5779 557730.0111 3.3328 3.6882 PRESSURE: 2431200 -229.298 -77.4575 16.0885 -77.4567 -225.481 72.8301 16.0896 72.8316 -48.4563 GPRESSURE: 2431200 -249.332 -117.832 16.7513 -48.0207 -168.125 20.5404 28.1722 58.3714 18.9481 PRESSAVG: 2431200 -59.1551 -24.6684 10.3815 -24.6683 34.818 -0.40414 10.3814 -0.404184 50.6687 GPRESSAVG: 2431200 -59.9491 -23.4506 10.075 -25.9256 35.1171 1.16703 8.73307 -2.22911 50.924 TIMING: 2431200 CPU: 7055.07, 0.00292049/step Wall: 7055.07, 0.00292049/step, 2.08393 hours remaining, 206.285156 MB of memory in use. ENERGY: 2431200 723.6819 2094.8449 1988.3764 118.4292 -206157.3290 17660.6753 0.0000 0.0000 34238.7739 -149332.5474 299.0157 -183571.3213 -149233.1900 299.1693 -167.7451 -132.8361 558829.5050 8.7772 8.6973 PRESSURE: 2431400 169.492 -97.7167 21.1819 -97.7162 22.1118 59.0196 21.1811 59.019 -22.4516 GPRESSURE: 2431400 213.301 -147.022 -36.4693 -120.742 65.4109 11.519 30.6355 41.6394 -3.12311 PRESSAVG: 2431400 -39.0885 -30.4175 22.5989 -30.4174 52.5456 41.8328 22.5988 41.8328 -2.6665 GPRESSAVG: 2431400 -38.5875 -31.4656 24.9603 -29.7843 52.4751 39.2377 21.8588 43.0298 -2.7839 TIMING: 2431400 CPU: 7055.65, 0.00289046/step Wall: 7055.65, 0.00289046/step, 2.06235 hours remaining, 206.285156 MB of memory in use. ENERGY: 2431400 749.6408 2082.8325 1957.7396 125.4569 -207013.9853 18276.2061 0.0000 0.0000 34467.2942 -149354.8152 301.0115 -183822.1094 -149250.3623 299.4774 56.3840 91.8628 558764.9239 3.5969 3.7012 PRESSURE: 2431600 -219.771 -122.186 0.438077 -122.184 -42.5904 -112.762 0.437552 -112.76 -179.61 GPRESSURE: 2431600 -161.384 -103.13 -131.359 -70.785 -31.843 -65.7643 59.4012 -166.976 -148.027 PRESSAVG: 2431600 41.9754 23.0004 5.31321 23.0004 3.79708 -24.1683 5.31326 -24.1682 -62.9959 GPRESSAVG: 2431600 41.9179 23.1244 2.61793 24.6004 2.99146 -20.1329 8.58552 -25.8182 -62.6715 TIMING: 2431600 CPU: 7056.23, 0.00289098/step Wall: 7056.23, 0.00289098/step, 2.06255 hours remaining, 206.285156 MB of memory in use. ENERGY: 2431600 769.0387 2074.2857 1972.7816 105.5010 -206420.9742 17876.8298 0.0000 0.0000 34299.7174 -149322.8199 299.5480 -183622.5373 -149229.6788 298.9431 -147.3239 -113.7512 560254.9910 -5.7412 -5.9207 PRESSURE: 2431800 127.327 -29.6194 -170.511 -29.6197 -26.8416 -124.374 -170.511 -124.375 116.004 GPRESSURE: 2431800 152.564 -69.7509 -269.902 -41.6987 54.7554 -155.635 -154.125 -194.003 113.166 PRESSAVG: 2431800 14.8724 -1.03111 -16.9017 -1.03109 -51.6587 -7.00759 -16.9016 -7.00758 32.8378 GPRESSAVG: 2431800 14.4296 0.379839 -14.9043 -2.22072 -51.2416 -7.71778 -19.9175 -6.94563 33.1056 TIMING: 2431800 CPU: 7056.81, 0.00290258/step Wall: 7056.81, 0.00290258/step, 2.07067 hours remaining, 206.285156 MB of memory in use. ENERGY: 2431800 756.1936 2133.3328 1960.4002 111.0847 -206602.1993 18077.6046 0.0000 0.0000 34096.9931 -149466.5903 297.7775 -183563.5834 -149368.6703 299.4197 72.1631 106.8285 557354.1208 -1.3162 -1.2355 PRESSURE: 2432000 119.776 -90.92 -41.2166 -90.9191 95.5023 -172.637 -41.2159 -172.634 115.228 GPRESSURE: 2432000 158.467 -116.307 19.2545 22.0019 123.872 -168.666 -37.8484 -100.647 144.948 PRESSAVG: 2432000 49.5932 -80.8971 7.40817 -80.8971 -42.7989 -14.2807 7.40816 -14.2807 -0.794988 GPRESSAVG: 2432000 49.771 -80.2168 7.76763 -81.2462 -41.8401 -16.3264 8.16749 -13.7331 -1.91964 TIMING: 2432000 CPU: 7057.39, 0.00289902/step Wall: 7057.39, 0.00289902/step, 2.06797 hours remaining, 206.285156 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: 2432000 736.6482 2134.1787 1955.3293 114.4130 -206595.5567 17975.8756 0.0000 0.0000 34307.2255 -149371.8864 299.6135 -183679.1119 -149273.8160 299.0633 110.1688 142.4292 557005.2074 1.9998 2.0038 PRESSURE: 2432200 -45.7377 20.1037 107.241 20.103 236.849 -112.508 107.24 -112.507 48.6675 GPRESSURE: 2432200 -9.01139 28.1647 65.1432 -45.2571 311.906 -137.669 181.587 -113.455 31.2029 PRESSAVG: 2432200 30.7712 -22.2652 21.9502 -22.2651 13.1097 17.5199 21.9503 17.5199 -2.2961 GPRESSAVG: 2432200 30.6895 -23.999 22.1092 -20.7523 12.6162 17.7677 21.3374 17.0498 -1.64086 TIMING: 2432200 CPU: 7057.97, 0.00291038/step Wall: 7057.97, 0.00291038/step, 2.07591 hours remaining, 206.285156 MB of memory in use. ENERGY: 2432200 711.2116 2097.9818 1960.6661 112.3166 -206392.8570 17802.5145 0.0000 0.0000 34298.3027 -149409.8638 299.5356 -183708.1665 -149311.4639 298.4783 79.9263 111.3657 556579.3357 13.8616 13.8883 LDB: ============= START OF LOAD BALANCING ============== 7061.44 LDB: ============== END OF LOAD BALANCING =============== 7061.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7061.44 LDB: ============= START OF LOAD BALANCING ============== 7061.73 LDB: Largest compute 4821 load 0.031269 is 26.6% of average load 0.117722 LDB: Average compute 0.001720 is 1.5% of average load 0.117722 LDB: TIME 7061.73 LOAD: AVG 0.117722 MAX 0.178149 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 7061.73 LOAD: AVG 0.117722 MAX 0.178149 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: TIME 7061.73 LOAD: AVG 0.117722 MAX 0.178149 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7061.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7061.73 PRESSURE: 2432400 19.2318 -40.2074 43.2101 -40.2061 124.292 46.4778 43.2103 46.479 -25.7975 GPRESSURE: 2432400 110.704 55.4347 32.1788 -69.8829 95.0204 26.8837 82.8538 96.9903 -0.321133 PRESSAVG: 2432400 -22.4913 34.0608 37.9106 34.0606 -31.2243 8.69658 37.9105 8.69666 53.0393 GPRESSAVG: 2432400 -22.6549 33.402 36.5167 33.0931 -32.2601 5.87614 40.4061 10.3988 53.7607 TIMING: 2432400 CPU: 7058.56, 0.00294674/step Wall: 7058.56, 0.00294674/step, 2.10168 hours remaining, 206.132812 MB of memory in use. ENERGY: 2432400 699.7497 2161.9945 1964.0487 110.7146 -206395.1866 17885.1229 0.0000 0.0000 34224.1145 -149349.4418 298.8877 -183573.5563 -149258.2091 298.2354 39.2422 68.4677 556684.4384 -0.2254 -0.3848 PRESSURE: 2432600 -49.6581 84.6045 34.7947 84.6043 -137.64 -76.8234 34.7932 -76.8246 -279.032 GPRESSURE: 2432600 -49.7224 123.457 73.6065 77.6232 -126.107 -100.801 24.7853 -135.282 -184.709 PRESSAVG: 2432600 -53.9011 34.1269 17.6869 34.1269 20.4631 13.7965 17.6868 13.7964 10.3338 GPRESSAVG: 2432600 -53.1521 34.7923 16.6204 32.1728 20.9053 13.9432 16.3156 15.3683 9.46506 TIMING: 2432600 CPU: 7059.14, 0.00290541/step Wall: 7059.14, 0.00290541/step, 2.07204 hours remaining, 206.132812 MB of memory in use. ENERGY: 2432600 764.5796 2077.9643 1947.2750 114.5246 -206103.8141 17597.1749 0.0000 0.0000 34122.5129 -149479.7828 298.0004 -183602.2957 -149379.7235 298.5798 -155.4432 -120.1796 556064.5315 -7.7014 -7.5939 PRESSURE: 2432800 -162.217 136.801 -114.642 136.802 70.3446 -306.8 -114.642 -306.8 -285.168 GPRESSURE: 2432800 -121.142 61.4288 -45.776 133.373 98.1059 -246.12 -85.5191 -260.946 -263.369 PRESSAVG: 2432800 -29.0318 14.0842 -34.3908 14.0842 1.50884 -14.1034 -34.3909 -14.1033 -52.7227 GPRESSAVG: 2432800 -28.5316 12.5942 -32.1949 17.6861 1.18524 -10.9626 -35.4032 -18.0587 -52.6014 TIMING: 2432800 CPU: 7059.72, 0.00291181/step Wall: 7059.72, 0.00291181/step, 2.07645 hours remaining, 206.132812 MB of memory in use. ENERGY: 2432800 735.3249 2111.0949 1961.3745 112.6651 -206298.2350 17615.1861 0.0000 0.0000 34224.8535 -149537.7361 298.8942 -183762.5896 -149437.6814 297.6992 -125.6804 -95.4682 557196.0960 -26.7486 -26.6492 PRESSURE: 2433000 233.544 -100.278 82.8154 -100.277 199.135 -5.09946 82.8148 -5.09956 176.092 GPRESSURE: 2433000 284.206 -98.6512 19.2893 -87.9729 246.643 47.1566 27.5892 -89.5916 181.389 PRESSAVG: 2433000 -24.4043 -4.82344 34.1769 -4.8234 58.8956 17.3005 34.1769 17.3005 -9.00546 GPRESSAVG: 2433000 -24.5706 -3.86696 33.1509 -7.91333 59.397 17.9335 34.9033 19.0793 -8.79499 TIMING: 2433000 CPU: 7060.3, 0.00290192/step Wall: 7060.3, 0.00290192/step, 2.06923 hours remaining, 206.132812 MB of memory in use. ENERGY: 2433000 722.8682 2136.7877 1976.7251 106.4762 -207034.5176 18286.7849 0.0000 0.0000 34336.8585 -149468.0170 299.8723 -183804.8755 -149367.2578 298.1807 202.9235 237.4127 555616.5166 8.4953 8.6771 PRESSURE: 2433200 -114.481 12.3992 79.0197 12.4001 -70.9676 46.3979 79.0184 46.397 -63.2422 GPRESSURE: 2433200 -34.1267 53.6165 15.1385 -107.766 -35.2933 52.121 49.3908 56.5986 -94.7107 PRESSAVG: 2433200 -20.8856 10.1233 14.3666 10.1233 33.0612 25.2432 14.3666 25.2432 10.185 GPRESSAVG: 2433200 -21.6389 9.73003 15.9026 12.2968 33.709 25.0081 12.6983 23.4699 9.88224 TIMING: 2433200 CPU: 7060.88, 0.00288389/step Wall: 7060.88, 0.00288389/step, 2.05621 hours remaining, 206.132812 MB of memory in use. ENERGY: 2433200 736.8322 2083.2624 1949.2526 114.0494 -206475.4121 17764.2908 0.0000 0.0000 34261.2952 -149566.4294 299.2124 -183827.7246 -149470.8736 298.6970 -82.8969 -54.7102 556596.9302 7.4535 7.3174 PRESSURE: 2433400 218.15 -167.455 -5.37562 -167.456 0.680419 -92.7588 -5.37433 -92.7583 -220.462 GPRESSURE: 2433400 215.483 -170.579 -113.398 -135.434 4.04221 -124.73 16.3955 -61.5797 -116.657 PRESSAVG: 2433400 -54.8469 -4.9005 -23.6441 -4.90063 41.6661 3.87886 -23.6441 3.87873 15.1444 GPRESSAVG: 2433400 -54.3127 -5.45372 -24.8102 -6.13383 41.7964 2.10687 -20.4796 4.34609 14.682 TIMING: 2433400 CPU: 7061.46, 0.0028955/step Wall: 7061.46, 0.0028955/step, 2.06433 hours remaining, 206.132812 MB of memory in use. ENERGY: 2433400 766.4123 2032.3149 1950.5053 111.6242 -206331.2144 17892.9430 0.0000 0.0000 34160.2850 -149417.1297 298.3303 -183577.4147 -149323.3283 298.4105 -0.5439 34.2896 556946.5732 0.6545 0.7219 PRESSURE: 2433600 -140.364 -67.0447 -38.5027 -67.0447 171.398 -51.8369 -38.5022 -51.8365 4.42832 GPRESSURE: 2433600 -59.914 -94.5265 -145.467 -64.1534 217.936 -13.4702 72.4847 -102.22 -25.2549 PRESSAVG: 2433600 -33.2385 4.32981 22.6035 4.32989 79.1467 23.6995 22.6036 23.6996 -31.5178 GPRESSAVG: 2433600 -33.4098 5.28962 22.5054 4.76453 78.9129 23.7087 23.2571 24.2227 -31.2792 TIMING: 2433600 CPU: 7062.04, 0.00288628/step Wall: 7062.04, 0.00288628/step, 2.0576 hours remaining, 206.132812 MB of memory in use. ENERGY: 2433600 786.8700 2074.9502 1973.6364 110.5159 -206354.7890 17942.8630 0.0000 0.0000 34184.4460 -149281.5074 298.5413 -183465.9534 -149181.0548 298.9181 11.8208 44.2556 557906.6707 4.7968 4.7413 PRESSURE: 2433800 -23.1371 -45.7148 239.693 -45.7147 -160.065 -130.996 239.693 -130.995 88.094 GPRESSURE: 2433800 17.3118 -88.8438 249.997 39.0128 -108.068 -174.915 227.683 -87.5021 99.2718 PRESSAVG: 2433800 -55.2291 32.6911 68.849 32.6911 11.7982 -46.0562 68.849 -46.0562 5.99135 GPRESSAVG: 2433800 -55.9786 33.8363 67.7059 34.0178 11.6399 -45.3061 67.5654 -46.1328 6.95817 TIMING: 2433800 CPU: 7062.62, 0.00291572/step Wall: 7062.62, 0.00291572/step, 2.07842 hours remaining, 206.425781 MB of memory in use. ENERGY: 2433800 764.3361 2028.7332 1941.9383 117.2667 -205880.7755 17608.8139 0.0000 0.0000 34172.1333 -149247.5541 298.4337 -183419.6874 -149151.6553 299.7926 -31.7025 2.8386 557368.6212 -12.4799 -12.4602 PRESSURE: 2434000 160.752 -132.596 124.413 -132.596 -238.529 -83.9701 124.413 -83.968 -50.7182 GPRESSURE: 2434000 153.959 -179.674 57.1478 -131.295 -214.221 -65.1047 147.002 -50.2812 7.78937 PRESSAVG: 2434000 -12.1195 -25.3854 33.4258 -25.3854 18.6187 -41.3385 33.4258 -41.3385 5.38096 GPRESSAVG: 2434000 -12.0087 -26.3845 35.2772 -25.6353 18.3598 -41.6677 32.0333 -40.9637 5.04827 TIMING: 2434000 CPU: 7063.21, 0.00293014/step Wall: 7063.21, 0.00293014/step, 2.08854 hours remaining, 206.425781 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: 2434000 734.9235 2179.7126 1970.3849 112.2121 -206162.4263 17667.8320 0.0000 0.0000 34007.9583 -149489.4029 297.0000 -183497.3613 -149385.7489 298.9848 -42.8315 -17.4908 557410.0418 3.9600 3.7998 PRESSURE: 2434200 87.8756 -31.6803 -106.07 -31.6791 -154.052 16.5723 -106.071 16.5735 11.2272 GPRESSURE: 2434200 119.124 -27.8914 -114.468 -65.328 -136.825 63.1439 -34.4724 -12.8265 45.8281 PRESSAVG: 2434200 76.3923 -44.7369 15.3303 -44.7369 -79.3994 -19.7429 15.3302 -19.7428 28.8707 GPRESSAVG: 2434200 77.1063 -44.5341 13.725 -45.7145 -78.7436 -18.9166 16.1078 -20.7466 27.4063 TIMING: 2434200 CPU: 7063.79, 0.00292031/step Wall: 7063.79, 0.00292031/step, 2.08137 hours remaining, 206.425781 MB of memory in use. ENERGY: 2434200 730.0783 2107.7072 1950.9563 115.9063 -206375.7408 17868.1238 0.0000 0.0000 34184.3390 -149418.6300 298.5403 -183602.9690 -149319.7140 298.5438 -18.3164 9.3756 557802.6904 8.6212 8.5897 PRESSURE: 2434400 -76.4507 81.9058 -62.4169 81.9054 -182.908 -31.0291 -62.4178 -31.0292 132.652 GPRESSURE: 2434400 -31.7848 61.4014 -88.2679 73.9534 -115.576 -10.8591 -120.828 -11.5453 104.118 PRESSAVG: 2434400 20.9879 22.1313 6.79593 22.1314 -69.0449 -45.6755 6.79588 -45.6755 49.2861 GPRESSAVG: 2434400 19.8662 22.9278 5.84002 22.3673 -67.7368 -45.4062 8.18697 -45.5176 49.128 TIMING: 2434400 CPU: 7064.37, 0.00291063/step Wall: 7064.37, 0.00291063/step, 2.07431 hours remaining, 206.425781 MB of memory in use. ENERGY: 2434400 724.1752 2127.2956 1934.8370 117.5954 -205967.5309 17551.9001 0.0000 0.0000 33971.7181 -149540.0094 296.6835 -183511.7276 -149451.2873 298.5941 -42.2354 -14.4143 557216.1192 0.4097 0.4192 PRESSURE: 2434600 36.2088 126.257 7.33948 126.257 -79.8581 305.03 7.33838 305.029 136.082 GPRESSURE: 2434600 68.316 92.7571 -34.5259 98.4563 -26.7678 363.957 11.678 278.384 132.462 PRESSAVG: 2434600 22.5351 -19.1438 -0.176345 -19.144 -24.3642 3.4376 -0.176333 3.4377 46.0479 GPRESSAVG: 2434600 24.1016 -19.1504 1.11822 -20.2974 -27.0325 2.87298 -0.0744837 3.06202 47.5666 TIMING: 2434600 CPU: 7064.95, 0.00291651/step Wall: 7064.95, 0.00291651/step, 2.07834 hours remaining, 206.425781 MB of memory in use. ENERGY: 2434600 700.0360 2081.9989 1931.9622 112.0495 -206702.6698 17977.9759 0.0000 0.0000 34354.7248 -149543.9226 300.0284 -183898.6474 -149450.5247 298.0869 30.8109 58.0035 557117.0174 14.7396 14.8786 PRESSURE: 2434800 159.407 84.8335 -207.034 84.8351 -25.7389 -10.003 -207.032 -10.0036 -79.9281 GPRESSURE: 2434800 184.25 211.954 -247.732 -10.591 47.859 59.9225 -143.35 -48.8878 -92.6228 PRESSAVG: 2434800 86.1667 42.3528 -66.0949 42.3528 -88.1303 -1.06813 -66.095 -1.06809 -17.2197 GPRESSAVG: 2434800 84.6581 42.7185 -64.6421 43.2679 -87.5612 -1.56109 -65.9489 0.027449 -16.515 TIMING: 2434800 CPU: 7065.54, 0.00290562/step Wall: 7065.54, 0.00290562/step, 2.07042 hours remaining, 206.425781 MB of memory in use. ENERGY: 2434800 713.6932 2090.2099 1956.6904 103.5546 -206457.6695 18009.7845 0.0000 0.0000 34109.2556 -149474.4813 297.8846 -183583.7369 -149384.7062 298.2925 17.9134 46.4953 557965.1145 -6.3944 -6.4727 PRESSURE: 2435000 -55.5099 163.182 -1.68875 163.182 -16.4915 69.8123 -1.68931 69.8142 -141.817 GPRESSURE: 2435000 -113.998 190.873 27.5463 225.068 54.2202 145.156 -49.3482 116.038 -71.485 PRESSAVG: 2435000 93.8046 44.0922 -35.2678 44.0922 -15.3928 -46.5496 -35.2678 -46.5497 -54.851 GPRESSAVG: 2435000 94.5853 44.7037 -36.2508 42.823 -14.9232 -44.8118 -36.2575 -47.3678 -55.9866 TIMING: 2435000 CPU: 7066.12, 0.00291083/step Wall: 7066.12, 0.00291083/step, 2.07397 hours remaining, 206.425781 MB of memory in use. ENERGY: 2435000 740.8033 2143.3945 1955.3230 124.6232 -206477.1301 17803.3393 0.0000 0.0000 34292.0179 -149417.6288 299.4807 -183709.6468 -149321.3955 298.4034 -71.2727 -43.7544 557799.4943 7.8536 7.8918 PRESSURE: 2435200 -174.78 122.902 -26.3034 122.903 -1.23278 41.0001 -26.3037 41.001 2.29279 GPRESSURE: 2435200 -127.426 66.4596 -37.5311 151.802 59.4831 -37.7419 40.5054 46.5319 4.38037 PRESSAVG: 2435200 28.9015 58.4163 -9.25527 58.4163 7.49791 -28.9915 -9.25519 -28.9915 -15.2648 GPRESSAVG: 2435200 28.5426 58.4179 -9.86029 56.6129 6.62314 -30.538 -10.8171 -27.3821 -13.8139 TIMING: 2435200 CPU: 7066.7, 0.0029093/step Wall: 7066.7, 0.0029093/step, 2.07272 hours remaining, 206.425781 MB of memory in use. ENERGY: 2435200 760.7696 2126.0974 1978.6548 119.2586 -206368.0607 17938.8637 0.0000 0.0000 34111.7578 -149332.6587 297.9065 -183444.4166 -149234.1148 298.3690 -57.9067 -21.1876 558512.9313 7.0448 7.1173 PRESSURE: 2435400 -232.443 -54.0933 148.147 -54.096 -56.8098 -82.4846 148.147 -82.4842 53.6429 GPRESSURE: 2435400 -109.239 -55.7904 224.246 -52.4723 -60.5565 -149.328 115.133 -61.2654 40.6931 PRESSAVG: 2435400 -28.9748 15.3421 19.5307 15.3421 3.73749 -46.4439 19.5309 -46.4439 -8.80046 GPRESSAVG: 2435400 -28.2784 15.076 21.5283 18.0816 3.80832 -46.345 22.6428 -47.0346 -9.99482 TIMING: 2435400 CPU: 7067.28, 0.00292299/step Wall: 7067.28, 0.00292299/step, 2.0823 hours remaining, 206.425781 MB of memory in use. ENERGY: 2435400 765.0370 2082.1081 1939.9277 104.1302 -206277.1372 17797.4170 0.0000 0.0000 34210.2274 -149378.2898 298.7664 -183588.5172 -149278.6858 298.6012 -78.5367 -43.0341 559175.4493 -11.3459 -11.4883 PRESSURE: 2435600 -71.7607 -198.511 157.659 -198.51 -33.5284 -172.954 157.659 -172.956 -214.49 GPRESSURE: 2435600 -45.1568 -230.795 148.075 -184.998 29.2548 -242.291 173.626 -94.2422 -196.776 PRESSAVG: 2435600 23.5249 -13.7588 16.1497 -13.7587 -59.2179 -26.9762 16.1497 -26.9763 -1.87142 GPRESSAVG: 2435600 22.3507 -15.002 16.0888 -14.016 -58.615 -24.0358 15.4364 -29.3987 -1.32092 TIMING: 2435600 CPU: 7067.87, 0.00292668/step Wall: 7067.87, 0.00292668/step, 2.08477 hours remaining, 206.628906 MB of memory in use. ENERGY: 2435600 732.1588 2089.5634 1958.1917 121.4473 -206306.9835 17725.3669 0.0000 0.0000 34167.1588 -149513.0966 298.3903 -183680.2554 -149418.0847 297.9835 -106.5931 -70.8928 558967.8793 -12.5215 -12.5284 PRESSURE: 2435800 -145.415 -3.85283 -27.8199 -3.85416 -478.764 -13.3301 -27.8203 -13.3286 -179.436 GPRESSURE: 2435800 -134.203 -9.73406 -124.04 -46.8394 -461.576 -134.006 27.4308 8.20996 -107.204 PRESSAVG: 2435800 8.14971 -0.544473 10.035 -0.544507 -26.6098 -27.5185 10.0351 -27.5187 -16.1644 GPRESSAVG: 2435800 7.89277 -0.474547 8.92317 -0.139597 -27.4885 -28.6389 11.1943 -26.0919 -15.3233 TIMING: 2435800 CPU: 7068.45, 0.00291283/step Wall: 7068.45, 0.00291283/step, 2.07475 hours remaining, 206.628906 MB of memory in use. ENERGY: 2435800 725.3271 2135.0233 1958.9813 113.0233 -205950.7312 17438.6567 0.0000 0.0000 34053.5098 -149526.2097 297.3978 -183579.7195 -149433.3116 298.2631 -267.8716 -234.3276 559954.3244 -11.5415 -11.6397 PRESSURE: 2436000 -94.7884 -45.1468 -74.0064 -45.1467 174.746 107.474 -74.0063 107.474 129.471 GPRESSURE: 2436000 -81.0037 -50.9179 -31.8936 37.8734 208.403 80.6636 -87.3051 143.096 187.549 PRESSAVG: 2436000 -78.3329 -0.997293 -40.3772 -0.997316 25.799 -21.8527 -40.3773 -21.8527 32.8323 GPRESSAVG: 2436000 -77.7289 -2.65799 -41.661 -0.0209239 26.3055 -24.114 -38.4411 -22.8662 31.8046 TIMING: 2436000 CPU: 7069.04, 0.00292058/step Wall: 7069.04, 0.00292058/step, 2.08011 hours remaining, 206.628906 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: 2436000 686.6691 2127.0843 1954.1386 112.6560 -206695.5145 17941.1706 0.0000 0.0000 34229.3822 -149644.4137 298.9337 -183873.7959 -149542.4480 298.4416 69.8097 104.9828 558312.1378 -6.5672 -6.5396 PRESSURE: 2436200 -246.085 -26.6752 -91.6714 -26.6771 -97.1287 -1.62624 -91.6705 -1.62382 -3.40186 GPRESSURE: 2436200 -228.909 -36.0191 -204.722 -96.1209 -17.0817 62.9204 -132.909 -39.1831 -2.05387 PRESSAVG: 2436200 2.921 -24.7312 -2.94647 -24.7312 16.4359 1.33237 -2.94649 1.33229 -57.0625 GPRESSAVG: 2436200 2.78039 -25.1206 -1.78803 -24.6791 15.8816 1.78039 -5.14064 3.1079 -56.0048 TIMING: 2436200 CPU: 7069.62, 0.00290303/step Wall: 7069.62, 0.00290303/step, 2.06744 hours remaining, 206.628906 MB of memory in use. ENERGY: 2436200 721.5783 2122.2592 1957.3453 111.7638 -206311.3454 17657.0728 0.0000 0.0000 34259.0092 -149482.3169 299.1924 -183741.3261 -149392.6076 297.9538 -115.5385 -82.6814 557907.8774 -12.5685 -12.4476 LDB: ============= START OF LOAD BALANCING ============== 7073.08 LDB: ============== END OF LOAD BALANCING =============== 7073.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7073.08 LDB: ============= START OF LOAD BALANCING ============== 7073.37 LDB: Largest compute 4821 load 0.032005 is 27.2% of average load 0.117831 LDB: Average compute 0.001720 is 1.5% of average load 0.117831 LDB: TIME 7073.38 LOAD: AVG 0.117831 MAX 0.179521 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.133 MB LDB: TIME 7073.38 LOAD: AVG 0.117831 MAX 0.179521 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: TIME 7073.38 LOAD: AVG 0.117831 MAX 0.179521 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.203 MB LDB: ============== END OF LOAD BALANCING =============== 7073.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7073.38 PRESSURE: 2436400 -27.7231 -5.31173 -10.9174 -5.31203 58.66 161.521 -10.9168 161.522 -112.586 GPRESSURE: 2436400 39.585 -17.8427 -65.3297 23.6622 97.2096 89.0574 36.5963 142.11 -125.039 PRESSAVG: 2436400 45.6017 -12.9133 -32.5654 -12.9132 -22.1386 -41.8018 -32.5654 -41.8019 -35.9093 GPRESSAVG: 2436400 46.2791 -9.14041 -30.5135 -14.7068 -21.7176 -41.1751 -33.3415 -43.4622 -36.7744 TIMING: 2436400 CPU: 7070.21, 0.00295229/step Wall: 7070.21, 0.00295229/step, 2.10236 hours remaining, 207.742188 MB of memory in use. ENERGY: 2436400 736.2116 2060.6133 1968.5340 119.0220 -206481.5792 17900.1955 0.0000 0.0000 34169.1691 -149527.8337 298.4079 -183697.0027 -149431.1242 298.2048 -27.2164 3.9186 557426.8189 -4.1487 -4.0710 PRESSURE: 2436600 -43.0545 -53.7758 214.235 -53.7762 -68.4132 0.866794 214.234 0.86615 -140.535 GPRESSURE: 2436600 -81.8786 36.9324 210.493 -26.8905 -19.0863 -59.6816 223.96 84.7052 -56.5466 PRESSAVG: 2436600 34.9947 -46.1342 -25.4382 -46.1342 32.1247 -13.373 -25.4383 -13.373 -67.1177 GPRESSAVG: 2436600 35.2659 -48.1524 -25.197 -44.5769 32.6848 -13.933 -26.0174 -11.956 -66.9866 TIMING: 2436600 CPU: 7070.79, 0.00292014/step Wall: 7070.79, 0.00292013/step, 2.0793 hours remaining, 207.945312 MB of memory in use. ENERGY: 2436600 726.6280 2070.9240 1957.7664 116.3365 -206430.3724 17773.3412 0.0000 0.0000 34135.1043 -149650.2720 298.1104 -183785.3763 -149555.7489 298.4774 -84.0009 -52.5038 556921.7995 0.0006 0.3214 PRESSURE: 2436800 -54.4973 87.0488 -35.4306 87.0502 32.1784 -41.9292 -35.4299 -41.9294 189.106 GPRESSURE: 2436800 -5.57641 114.99 -20.7737 40.9589 -8.94173 2.12412 -55.3974 -0.987664 269.571 PRESSAVG: 2436800 25.8954 -2.6011 -4.67825 -2.60098 -31.1116 40.094 -4.67833 40.0939 24.8605 GPRESSAVG: 2436800 24.1751 -2.01003 -4.36844 -4.58109 -30.5301 42.197 -5.72176 37.8003 26.0967 TIMING: 2436800 CPU: 7071.37, 0.0028832/step Wall: 7071.37, 0.0028832/step, 2.05284 hours remaining, 207.945312 MB of memory in use. ENERGY: 2436800 747.2447 2094.6528 1981.0798 106.3444 -206366.4119 17882.5037 0.0000 0.0000 34087.4615 -149467.1250 297.6943 -183554.5865 -149375.4871 297.7334 55.5956 85.0175 556621.3943 6.5481 6.5806 PRESSURE: 2437000 236.503 -43.9406 112.344 -43.9387 5.09199 102.462 112.344 102.462 -4.61284 GPRESSURE: 2437000 252.878 -86.9084 121.385 -3.99909 42.2417 103.922 110.415 139.902 35.41 PRESSAVG: 2437000 15.866 14.6269 7.54236 14.6269 34.1624 -26.9954 7.54238 -26.9953 -16.9793 GPRESSAVG: 2437000 17.8613 15.1738 7.00273 17.775 32.9627 -28.4374 9.54266 -25.3806 -17.4869 TIMING: 2437000 CPU: 7071.95, 0.00290825/step Wall: 7071.95, 0.00290825/step, 2.07051 hours remaining, 207.945312 MB of memory in use. ENERGY: 2437000 748.8969 2077.6013 1944.5818 114.0204 -206565.3860 17956.7098 0.0000 0.0000 34090.2618 -149633.3141 297.7187 -183723.5759 -149544.9070 297.3417 78.9941 110.1764 555043.0047 11.0164 11.1123 PRESSURE: 2437200 -128.74 -28.0304 -27.3102 -28.0306 224.489 38.5252 -27.3107 38.5248 21.018 GPRESSURE: 2437200 -78.6441 45.3803 -47.1726 -58.9155 276.638 -27.634 102.328 90.7314 19.0255 PRESSAVG: 2437200 47.3384 4.41044 7.5995 4.41036 0.272791 -20.0923 7.59944 -20.0924 -37.798 GPRESSAVG: 2437200 46.5884 4.65463 6.61926 1.89416 0.692315 -22.3646 6.41443 -19.6187 -37.2401 TIMING: 2437200 CPU: 7072.53, 0.0029004/step Wall: 7072.53, 0.0029004/step, 2.06476 hours remaining, 207.945312 MB of memory in use. ENERGY: 2437200 732.9229 2098.8289 1982.2488 114.6216 -206519.5622 17893.4732 0.0000 0.0000 34096.9770 -149600.4900 297.7774 -183697.4670 -149509.9284 297.8174 38.9223 72.3397 555704.9852 3.2711 3.3469 PRESSURE: 2437400 -176.241 -50.6199 -62.8346 -50.6197 -201.292 -187.407 -62.8335 -187.405 -188.454 GPRESSURE: 2437400 -100.248 -9.37085 78.6406 -107.487 -182.692 -219.291 -100.923 -146.139 -174.592 PRESSAVG: 2437400 -51.9397 7.50703 -25.8048 7.50706 26.5903 -30.4918 -25.8048 -30.4919 2.97315 GPRESSAVG: 2437400 -52.3896 8.5084 -26.9206 7.24106 28.078 -28.6263 -24.2512 -29.1227 1.67402 TIMING: 2437400 CPU: 7073.11, 0.00290061/step Wall: 7073.11, 0.00290061/step, 2.06475 hours remaining, 208.011719 MB of memory in use. ENERGY: 2437400 758.8629 2086.2313 1946.7993 104.1255 -206139.2183 17647.6902 0.0000 0.0000 34048.0258 -149547.4833 297.3499 -183595.5091 -149450.3524 298.1857 -188.6625 -152.5104 557191.7469 -7.4587 -7.5459 PRESSURE: 2437600 -43.1271 30.1828 13.6438 30.1838 -64.4518 78.9615 13.6444 78.9614 -60.5151 GPRESSURE: 2437600 1.88133 65.8268 -3.92532 42 -36.3452 69.856 62.1282 -11.2586 -28.9749 PRESSAVG: 2437600 72.8127 -26.171 -40.636 -26.171 -83.6805 -17.5068 -40.6361 -17.5068 -20.738 GPRESSAVG: 2437600 72.1448 -27.6023 -40.577 -25.9077 -84.9829 -17.0943 -42.2784 -19.2686 -18.95 TIMING: 2437600 CPU: 7073.7, 0.00294159/step Wall: 7073.7, 0.00294159/step, 2.09376 hours remaining, 208.011719 MB of memory in use. ENERGY: 2437600 747.0116 2120.5857 1970.0239 107.7806 -206142.5396 17735.0367 0.0000 0.0000 34224.2620 -149237.8393 298.8890 -183462.1013 -149150.6316 298.6092 -56.0313 -21.1462 558397.3528 -10.5353 -10.5960 PRESSURE: 2437800 -70.3854 -28.6505 123.589 -28.6507 7.52393 -55.1478 123.588 -55.1488 -48.2118 GPRESSURE: 2437800 -37.817 -84.9099 137.613 -13.6912 63.853 -145.342 73.6925 1.80561 -46.6261 PRESSAVG: 2437800 20.304 -20.9457 -50.251 -20.9457 -15.1189 -8.66121 -50.2511 -8.66132 3.31517 GPRESSAVG: 2437800 21.1394 -21.2291 -49.1923 -21.1315 -14.3992 -9.63319 -51.1535 -8.09796 1.26574 TIMING: 2437800 CPU: 7074.28, 0.00290004/step Wall: 7074.28, 0.00290004/step, 2.06402 hours remaining, 208.011719 MB of memory in use. ENERGY: 2437800 737.8973 2164.0578 1930.3269 118.8384 -206288.9747 17843.6459 0.0000 0.0000 34322.3403 -149171.8679 299.7455 -183494.2083 -149085.7261 299.4420 -37.0244 -6.8634 557442.7656 2.8334 2.6686 PRESSURE: 2438000 -54.7773 -95.3147 86.4851 -95.3139 187.676 -120.063 86.4861 -120.064 -93.7667 GPRESSURE: 2438000 -18.0356 -90.9041 168.455 -86.4332 216.19 -108.439 58.3256 -60.8555 -59.7293 PRESSAVG: 2438000 5.15951 -13.6598 -2.00407 -13.6598 53.5924 -7.46022 -2.00422 -7.46008 -30.6759 GPRESSAVG: 2438000 5.69323 -12.5157 -3.20404 -13.2763 52.1813 -8.15653 1.09983 -7.74762 -30.1681 TIMING: 2438000 CPU: 7074.85, 0.00287967/step Wall: 7074.85, 0.00287967/step, 2.04936 hours remaining, 208.011719 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: 2438000 749.9704 2117.2533 1975.3491 116.1178 -206384.9312 17897.8914 0.0000 0.0000 34567.2720 -148961.0773 301.8846 -183528.3493 -148864.5885 299.8591 13.0440 46.1417 556225.0085 9.3587 9.2355 PRESSURE: 2438200 -74.7848 -44.0716 97.6506 -44.0724 148.044 50.2351 97.6514 50.2333 -161.496 GPRESSURE: 2438200 -74.0375 -59.929 73.9794 -106.49 168.425 53.5346 81.8924 35.4954 -74.9417 PRESSAVG: 2438200 -19.5293 -15.4265 -0.959697 -15.4264 59.0222 17.245 -0.95969 17.245 -30.9186 GPRESSAVG: 2438200 -20.9528 -15.3129 -2.10046 -15.2956 60.4199 20.9394 -2.08845 17.2536 -31.6523 TIMING: 2438200 CPU: 7075.43, 0.0028885/step Wall: 7075.43, 0.0028885/step, 2.05549 hours remaining, 208.011719 MB of memory in use. ENERGY: 2438200 753.8649 2121.7973 1975.1826 122.7523 -206251.9931 17950.2629 0.0000 0.0000 34336.4946 -148991.6383 299.8691 -183328.1330 -148899.9643 300.3554 -29.4123 6.4819 557270.7488 2.8581 2.6049 PRESSURE: 2438400 -246.913 179.39 -187.394 179.389 58.5343 -89.8555 -187.393 -89.8548 -27.5936 GPRESSURE: 2438400 -155.127 194.106 -198.268 203.932 145.767 -122.875 -98.0695 -0.742985 -95.6851 PRESSAVG: 2438400 26.9162 -0.310383 -20.1634 -0.310293 60.4303 24.6391 -20.1634 24.6389 -50.2601 GPRESSAVG: 2438400 27.8147 -1.38064 -18.147 -0.941982 60.6327 20.5136 -22.1221 25.8422 -51.0161 TIMING: 2438400 CPU: 7076.01, 0.00290028/step Wall: 7076.01, 0.00290028/step, 2.06371 hours remaining, 208.011719 MB of memory in use. ENERGY: 2438400 748.0587 2114.7089 1941.4761 116.3395 -205964.1423 17631.0266 0.0000 0.0000 34271.6570 -149140.8754 299.3029 -183412.5324 -149050.6786 299.6422 -71.9907 -35.0149 557712.1836 12.3621 12.4771 PRESSURE: 2438600 -309.453 -28.6672 138.902 -28.6683 134.6 92.2563 138.901 92.2564 -326.885 GPRESSURE: 2438600 -272.864 4.37606 42.5551 -45.8407 196.817 97.7257 200.33 26.5271 -323.48 PRESSAVG: 2438600 -28.472 14.3913 -13.1687 14.3913 62.2096 38.0874 -13.1688 38.0873 -29.2248 GPRESSAVG: 2438600 -28.1263 13.3124 -13.4386 14.6388 61.265 39.2454 -13.5643 36.9685 -28.6367 TIMING: 2438600 CPU: 7076.6, 0.00291692/step Wall: 7076.6, 0.00291692/step, 2.07539 hours remaining, 208.011719 MB of memory in use. ENERGY: 2438600 749.0417 2043.3166 1959.4345 126.6832 -205645.6330 17471.9397 0.0000 0.0000 34207.8023 -149087.4150 298.7452 -183295.2173 -148989.5786 299.9667 -167.2463 -133.1758 556650.6064 1.5042 1.5006 PRESSURE: 2438800 123.747 51.5775 -11.0906 51.577 -170.29 -27.8432 -11.09 -27.8427 -223.061 GPRESSURE: 2438800 178.263 62.6948 -57.3608 87.488 -139.316 -32.5668 -60.3597 -13.3281 -216.38 PRESSAVG: 2438800 -13.7819 6.39737 26.4372 6.39743 57.2036 48.6283 26.4373 48.6283 -58.82 GPRESSAVG: 2438800 -13.8565 7.77856 25.3244 7.53246 57.7645 49.6245 27.7579 48.5754 -59.3302 TIMING: 2438800 CPU: 7077.18, 0.00291732/step Wall: 7077.18, 0.00291732/step, 2.07551 hours remaining, 208.011719 MB of memory in use. ENERGY: 2438800 739.3696 2140.3413 1957.1793 119.1901 -205932.0602 17558.4902 0.0000 0.0000 34203.6942 -149213.7955 298.7094 -183417.4897 -149113.0079 299.3293 -89.8679 -59.1445 558505.8923 -5.1327 -5.1407 PRESSURE: 2439000 -235.448 24.1366 61.9569 24.1381 -59.4678 41.9822 61.9578 41.9818 -168.569 GPRESSURE: 2439000 -202.537 -1.3738 51.5171 -1.89989 -29.3019 7.20843 114.219 12.9171 -143.944 PRESSAVG: 2439000 9.03016 17.1738 52.922 17.1737 -0.470362 -10.3251 52.922 -10.3251 -6.84361 GPRESSAVG: 2439000 8.81637 18.4541 53.069 15.8002 -0.490112 -12.1541 54.347 -10.0389 -6.60606 TIMING: 2439000 CPU: 7077.77, 0.00294247/step Wall: 7077.77, 0.00294247/step, 2.09324 hours remaining, 208.011719 MB of memory in use. ENERGY: 2439000 808.0746 2118.7686 1944.4521 104.6121 -206203.5891 17738.4367 0.0000 0.0000 34337.1021 -149152.1427 299.8745 -183489.2449 -149055.6427 299.4961 -154.4949 -125.2610 558628.4523 0.5721 0.5734 PRESSURE: 2439200 -137.917 58.3577 -4.74974 58.356 262.221 66.4502 -4.74963 66.45 49.0468 GPRESSURE: 2439200 -122.112 121.899 36.2899 45.4403 307.932 8.50383 45.9449 135.824 96.144 PRESSAVG: 2439200 19.525 49.8041 -23.9017 49.804 -15.3869 9.04252 -23.9017 9.04253 30.8337 GPRESSAVG: 2439200 18.7193 47.7876 -22.337 50.4618 -15.4776 9.02758 -25.535 8.45803 31.5854 TIMING: 2439200 CPU: 7078.35, 0.00291586/step Wall: 7078.35, 0.00291586/step, 2.07415 hours remaining, 208.011719 MB of memory in use. ENERGY: 2439200 742.0006 2140.4295 1947.9139 112.9804 -206530.2439 17826.6238 0.0000 0.0000 34430.2212 -149330.0746 300.6877 -183760.2958 -149235.4378 299.3458 57.7835 93.9881 556581.4312 11.6573 11.6090 PRESSURE: 2439400 169.116 -65.3466 -55.0972 -65.3445 103.145 -126.733 -55.0966 -126.733 141.522 GPRESSURE: 2439400 201.467 -20.678 -54.2757 -72.4798 110.703 -122.182 -78.6776 -157.285 209.958 PRESSAVG: 2439400 -6.20381 -4.11303 -71.9718 -4.11308 -32.5098 -7.019 -71.9717 -7.0191 64.826 GPRESSAVG: 2439400 -6.03096 -2.33581 -73.5236 -5.35464 -33.5153 -5.91475 -70.6971 -7.06779 65.7804 TIMING: 2439400 CPU: 7078.93, 0.00291063/step Wall: 7078.93, 0.00291063/step, 2.07027 hours remaining, 208.011719 MB of memory in use. ENERGY: 2439400 731.3422 2156.7974 1953.5025 122.5773 -206436.9743 18068.6453 0.0000 0.0000 34023.1459 -149380.9638 297.1326 -183404.1096 -149282.6352 298.9134 137.9276 174.0422 557759.1951 8.7041 8.7447 PRESSURE: 2439600 -26.8925 -130.292 1.50361 -130.292 -259.769 -147.387 1.50356 -147.387 -14.6228 GPRESSURE: 2439600 -6.87843 -77.4787 39.4947 -25.9567 -212.19 -168.749 8.81046 -69.6708 10.1804 PRESSAVG: 2439600 25.9973 3.40655 -2.47518 3.40666 -61.7376 19.9793 -2.4752 19.9793 13.9395 GPRESSAVG: 2439600 25.5053 1.98019 -2.32099 5.92913 -61.0725 20.4468 -3.19427 20.9234 13.696 TIMING: 2439600 CPU: 7079.51, 0.0028834/step Wall: 7079.51, 0.0028834/step, 2.05074 hours remaining, 208.011719 MB of memory in use. ENERGY: 2439600 719.4144 2140.7515 1936.4876 123.4265 -206146.1184 17692.1068 0.0000 0.0000 34110.6082 -149423.3234 297.8964 -183533.9316 -149330.8258 298.4184 -100.4281 -69.6294 558123.4782 -7.2669 -7.2904 PRESSURE: 2439800 -123.489 -150.642 8.68204 -150.641 -176.041 -49.4177 8.68334 -49.4177 47.9088 GPRESSURE: 2439800 -98.2443 -111.721 9.69147 -266.755 -139.068 -7.73023 136.421 -58.1323 81.0646 PRESSAVG: 2439800 -14.741 6.01037 -67.1716 6.01035 -23.6423 -67.6841 -67.1715 -67.684 27.9978 GPRESSAVG: 2439800 -14.4485 8.21086 -67.4764 4.89537 -24.131 -67.1332 -65.7147 -68.4622 28.4987 TIMING: 2439800 CPU: 7080.09, 0.00289009/step Wall: 7080.09, 0.00289009/step, 2.05534 hours remaining, 208.011719 MB of memory in use. ENERGY: 2439800 795.8036 2103.7504 1952.3961 114.2477 -206387.8369 17834.7106 0.0000 0.0000 34252.4717 -149334.4567 299.1354 -183586.9284 -149235.5312 297.8211 -83.8738 -52.0825 556337.1604 -3.4618 -3.3602 PRESSURE: 2440000 104.018 -29.3572 -62.9655 -29.3551 -79.8588 -65.1747 -62.9646 -65.1745 248.704 GPRESSURE: 2440000 150.926 -8.94959 -105.318 -100.4 -12.7627 24.3435 -60.1682 -151.409 225.21 PRESSAVG: 2440000 1.88861 -20.203 -43.626 -20.203 46.5897 17.1851 -43.6259 17.1852 -19.5983 GPRESSAVG: 2440000 1.70535 -21.3746 -43.832 -20.0171 47.1872 13.8969 -45.5553 16.9282 -20.1417 TIMING: 2440000 CPU: 7080.67, 0.00291718/step Wall: 7080.67, 0.00291718/step, 2.07444 hours remaining, 208.011719 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: 2440000 727.8174 2119.7942 1973.5275 117.3129 -206400.7242 17894.6760 0.0000 0.0000 34121.1251 -149446.4711 297.9883 -183567.5962 -149353.6823 298.3888 90.9543 121.1246 555785.1446 9.6267 9.5836 PRESSURE: 2440200 121.223 36.1722 -237.962 36.1728 -39.3011 -73.8033 -237.963 -73.8041 -213.165 GPRESSURE: 2440200 126.762 82.2476 -239.465 -45.6704 57.2754 -113.244 -201.772 -79.8965 -213.494 PRESSAVG: 2440200 -16.9935 -5.92502 -47.115 -5.925 23.1881 11.8672 -47.115 11.8672 -1.5858 GPRESSAVG: 2440200 -17.0859 -5.49155 -47.9595 -7.17812 23.398 12.2782 -42.7881 11.2465 -2.13961 TIMING: 2440200 CPU: 7081.25, 0.00288837/step Wall: 7081.25, 0.00288837/step, 2.05379 hours remaining, 208.011719 MB of memory in use. ENERGY: 2440200 716.0507 2097.2280 1946.9776 117.0189 -206461.5060 17787.4411 0.0000 0.0000 34036.7047 -149760.0851 297.2510 -183796.7897 -149661.9278 297.8375 -43.7476 -9.8188 557063.4655 1.5363 1.3908 LDB: ============= START OF LOAD BALANCING ============== 7084.71 LDB: ============== END OF LOAD BALANCING =============== 7084.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7084.72 LDB: ============= START OF LOAD BALANCING ============== 7085.01 LDB: Largest compute 4821 load 0.033986 is 28.9% of average load 0.117753 LDB: Average compute 0.001725 is 1.5% of average load 0.117753 LDB: TIME 7085.01 LOAD: AVG 0.117753 MAX 0.178875 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7085.01 LOAD: AVG 0.117753 MAX 0.178875 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: TIME 7085.01 LOAD: AVG 0.117753 MAX 0.178875 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7085.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7085.01 PRESSURE: 2440400 41.1783 -227.052 65.5033 -227.052 95.027 38.3597 65.5024 38.3609 281.066 GPRESSURE: 2440400 125.508 -289.822 56.0912 -169.162 103.361 -4.68375 79.5629 -0.257273 289.294 PRESSAVG: 2440400 -19.1938 -8.00954 5.28907 -8.00954 61.5516 56.6171 5.28895 56.6172 -44.7937 GPRESSAVG: 2440400 -18.5593 -10.3848 5.26148 -6.55408 61.5797 58.8541 2.72936 55.7318 -45.5994 TIMING: 2440400 CPU: 7081.84, 0.00295154/step Wall: 7081.84, 0.00295154/step, 2.09855 hours remaining, 205.941406 MB of memory in use. ENERGY: 2440400 717.6428 2063.7745 1985.0159 115.0497 -206533.0310 18176.9316 0.0000 0.0000 34056.2828 -149418.3337 297.4220 -183474.6164 -149325.2775 297.9068 139.0906 172.7207 557870.0441 -0.8120 -0.8597 PRESSURE: 2440600 170.359 174.445 -28.2092 174.445 -89.6387 61.3056 -28.2072 61.305 319.144 GPRESSURE: 2440600 234.072 167.777 70.5529 179.052 -73.0501 32.3567 -81.97 -11.5679 346.309 PRESSAVG: 2440600 -3.8942 64.2353 -39.222 64.2353 0.833432 43.2412 -39.222 43.2412 48.1283 GPRESSAVG: 2440600 -4.46874 66.6973 -38.5143 63.578 -0.480522 41.2949 -38.4415 43.8634 49.2603 TIMING: 2440600 CPU: 7082.42, 0.00289366/step Wall: 7082.42, 0.00289366/step, 2.05723 hours remaining, 205.941406 MB of memory in use. ENERGY: 2440600 740.1519 2099.9814 1947.5769 115.9761 -206636.2480 18198.4968 0.0000 0.0000 34148.7301 -149385.3348 298.2294 -183534.0649 -149289.2702 298.3906 133.2879 169.1103 558538.8849 15.0225 14.7704 PRESSURE: 2440800 123.021 -76.0824 -25.8659 -76.0834 -227.508 132.883 -25.866 132.883 232.327 GPRESSURE: 2440800 160.117 22.9911 -90.3302 -51.3432 -195.981 261.293 -21.02 136.955 245.596 PRESSAVG: 2440800 -73.4942 0.990741 5.67994 0.990799 0.446609 24.1327 5.68003 24.1327 82.0567 GPRESSAVG: 2440800 -73.0188 -0.198087 6.43405 0.805685 1.07131 24.1258 4.60825 25.1669 81.2463 TIMING: 2440800 CPU: 7082.99, 0.00288597/step Wall: 7082.99, 0.00288597/step, 2.0516 hours remaining, 205.941406 MB of memory in use. ENERGY: 2440800 763.2243 2046.2931 1953.5169 107.6515 -206374.4663 17937.1977 0.0000 0.0000 34017.0607 -149549.5221 297.0795 -183566.5828 -149456.9091 298.6881 42.6133 69.9106 556617.5517 3.0030 3.0996 PRESSURE: 2441000 -7.33784 46.4299 177.253 46.4306 -57.6968 -169.915 177.254 -169.915 51.1302 GPRESSURE: 2441000 -9.50931 15.0588 269.497 -8.96486 -18.7581 -194.897 181.129 -90.2072 124.495 PRESSAVG: 2441000 -21.5316 17.572 4.93845 17.572 7.95206 7.7399 4.93839 7.73996 40.0947 GPRESSAVG: 2441000 -22.173 17.1543 4.59195 17.5281 8.16798 10.256 4.1429 5.33894 40.6029 TIMING: 2441000 CPU: 7083.57, 0.00290007/step Wall: 7083.57, 0.00290007/step, 2.06147 hours remaining, 205.941406 MB of memory in use. ENERGY: 2441000 771.0882 2089.2530 1961.4046 106.5593 -206449.0459 17978.7716 0.0000 0.0000 33925.5282 -149616.4410 296.2801 -183541.9691 -149522.2122 298.4536 -4.6348 32.0757 556889.6142 8.8384 8.8660 PRESSURE: 2441200 155.772 -1.82254 132.552 -1.82253 79.914 42.2638 132.552 42.2624 -64.9427 GPRESSURE: 2441200 167.498 -5.48525 120.591 -13.7233 111.182 -24.6856 106.723 14.1125 -16.6589 PRESSAVG: 2441200 -0.83308 -5.21147 47.1074 -5.21159 -24.0647 9.61256 47.1074 9.6126 1.33546 GPRESSAVG: 2441200 -0.647849 -6.52749 46.0314 -5.0756 -23.5249 8.38489 47.5427 9.9225 1.31568 TIMING: 2441200 CPU: 7084.15, 0.00289286/step Wall: 7084.15, 0.00289286/step, 2.05618 hours remaining, 205.941406 MB of memory in use. ENERGY: 2441200 769.8353 2056.5472 1948.5424 110.2252 -206274.7714 17939.7757 0.0000 0.0000 34015.4887 -149434.3569 297.0657 -183449.8456 -149337.8947 298.2002 56.9145 87.3403 557709.2320 -7.8541 -7.6190 PRESSURE: 2441400 -142.357 27.475 -89.3919 27.4744 -85.4556 -16.4015 -89.3941 -16.4004 -44.636 GPRESSURE: 2441400 -106.871 6.48237 -19.7514 43.0374 -65.1502 -13.3892 -100.287 -28.5401 -18.161 PRESSAVG: 2441400 -16.921 27.3721 19.7448 27.3722 -17.189 5.32949 19.7448 5.32941 28.8726 GPRESSAVG: 2441400 -16.8258 27.5466 17.9589 27.5457 -17.0597 5.86726 21.1113 5.71422 28.9394 TIMING: 2441400 CPU: 7084.73, 0.00290173/step Wall: 7084.73, 0.00290173/step, 2.06232 hours remaining, 205.941406 MB of memory in use. ENERGY: 2441400 768.4250 2090.1655 1974.7617 108.5266 -206119.1005 17603.2737 0.0000 0.0000 34309.5623 -149264.3856 299.6339 -183573.9479 -149173.4030 299.0196 -90.8163 -63.3939 556726.0679 -1.7458 -1.6487 PRESSURE: 2441600 49.37 166.767 -117.827 166.767 -269.764 -53.1694 -117.826 -53.1702 51.1017 GPRESSURE: 2441600 82.1956 146.412 -183.994 158.395 -202.991 -54.2019 -64.7426 -71.3292 56.0221 PRESSAVG: 2441600 22.177 -11.8618 10.6431 -11.8617 -6.5217 -30.5769 10.6431 -30.5768 -28.6257 GPRESSAVG: 2441600 21.8609 -9.87615 12.1228 -14.0216 -7.58555 -31.2282 8.07602 -28.9431 -27.4684 TIMING: 2441600 CPU: 7085.32, 0.0029182/step Wall: 7085.32, 0.0029182/step, 2.07387 hours remaining, 205.941406 MB of memory in use. ENERGY: 2441600 746.5400 2079.8212 1963.4656 104.4712 -206188.8224 17789.7892 0.0000 0.0000 34295.1771 -149209.5581 299.5083 -183504.7352 -149111.0844 298.9394 -56.4306 -21.5911 557297.3310 -4.3235 -4.3977 PRESSURE: 2441800 38.8857 -128.82 -62.6345 -128.819 60.4983 -100.938 -62.6339 -100.938 -114.56 GPRESSURE: 2441800 131.907 -129.389 -91.571 -134.656 54.2731 -59.2892 21.9065 -202.686 -101.487 PRESSAVG: 2441800 47.4049 -27.684 -17.0976 -27.6839 52.667 -20.5538 -17.0977 -20.5538 -51.4691 GPRESSAVG: 2441800 46.7642 -27.6129 -16.0049 -26.6029 54.5849 -19.9912 -16.2168 -22.5452 -52.4487 TIMING: 2441800 CPU: 7085.9, 0.00291644/step Wall: 7085.9, 0.00291644/step, 2.07245 hours remaining, 206.011719 MB of memory in use. ENERGY: 2441800 744.2271 2124.5700 1946.3044 115.1714 -206050.9273 17695.8713 0.0000 0.0000 34146.2735 -149278.5098 298.2079 -183424.7833 -149180.4809 299.4579 -5.0587 28.2309 555945.4977 16.2009 16.3002 PRESSURE: 2442000 271.718 1.18499 -70.1186 1.18566 72.6427 -8.34022 -70.1182 -8.33864 127.206 GPRESSURE: 2442000 295.777 -54.277 -80.2861 -8.84151 78.2903 -12.6863 -131.855 18.9123 206.157 PRESSAVG: 2442000 40.3154 -45.0864 -2.59258 -45.0864 22.223 -21.5727 -2.59249 -21.5728 -26.6837 GPRESSAVG: 2442000 42.1473 -45.9927 -3.12622 -44.4708 20.5234 -23.1035 -3.93591 -19.4152 -25.8703 TIMING: 2442000 CPU: 7086.48, 0.0028738/step Wall: 7086.48, 0.0028738/step, 2.04199 hours remaining, 206.011719 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: 2442000 761.1599 2090.7274 1939.5781 105.2078 -206454.8341 18003.1987 0.0000 0.0000 34240.5956 -149314.3666 299.0316 -183554.9622 -149226.9723 299.2391 157.1890 193.4081 556410.8045 11.9516 12.2668 PRESSURE: 2442200 -126.097 -84.1183 90.9179 -84.1194 -249.092 177.926 90.9185 177.927 -95.7034 GPRESSURE: 2442200 -147.764 -119.842 55.6216 -41.4985 -186.439 220.837 27.2081 196.999 -35.2223 PRESSAVG: 2442200 40.9804 -33.4273 18.5156 -33.4272 33.1805 29.4039 18.5157 29.4039 -41.1009 GPRESSAVG: 2442200 41.2154 -32.1577 19.1215 -32.7377 33.2963 28.0188 18.9347 30.5121 -40.9789 TIMING: 2442200 CPU: 7087.05, 0.0028755/step Wall: 7087.05, 0.0028755/step, 2.04305 hours remaining, 206.011719 MB of memory in use. ENERGY: 2442200 773.0105 2137.1772 1969.6107 119.0446 -206316.3482 17751.0007 0.0000 0.0000 34195.2834 -149371.2210 298.6359 -183566.5044 -149281.1956 298.8160 -156.9642 -123.1417 557497.2867 11.0200 11.1776 PRESSURE: 2442400 -159.65 -14.2621 -221.873 -14.2621 -106.201 22.2901 -221.873 22.291 -190.178 GPRESSURE: 2442400 -117.565 30.6736 -164.046 -29.4016 -56.8179 -16.8261 -192.884 84.8784 -186.111 PRESSAVG: 2442400 -10.14 17.2685 -8.98265 17.2685 47.2811 34.3623 -8.98252 34.3624 -26.0269 GPRESSAVG: 2442400 -11.4643 17.3145 -9.31853 17.6172 48.3639 36.6514 -6.97053 33.5893 -25.9027 TIMING: 2442400 CPU: 7087.63, 0.00289443/step Wall: 7087.63, 0.00289443/step, 2.05633 hours remaining, 206.011719 MB of memory in use. ENERGY: 2442400 732.2717 2110.2221 1951.2576 105.3062 -205920.1674 17570.5686 0.0000 0.0000 34137.7222 -149312.8191 298.1332 -183450.5412 -149215.4459 299.5777 -152.0097 -120.1645 556918.1366 3.7047 3.6656 PRESSURE: 2442600 47.4236 -2.64713 -46.1645 -2.64633 17.8663 -4.44436 -46.1654 -4.44588 22.8805 GPRESSURE: 2442600 49.6008 -51.3042 -8.36653 2.3373 22.3109 44.8151 -5.41103 45.5467 117.063 PRESSAVG: 2442600 -12.8391 35.9579 -14.447 35.9579 66.5359 41.6785 -14.447 41.6786 -35.6504 GPRESSAVG: 2442600 -11.9103 35.8336 -14.3171 33.6499 66.6714 41.3756 -15.7227 41.8032 -36.5874 TIMING: 2442600 CPU: 7088.21, 0.00288614/step Wall: 7088.21, 0.00288614/step, 2.05028 hours remaining, 206.011719 MB of memory in use. ENERGY: 2442600 747.6438 2118.7455 1974.2877 119.3027 -206541.3902 18082.6541 0.0000 0.0000 34301.5834 -149197.1729 299.5643 -183498.7563 -149111.8221 299.7323 29.3901 62.9914 557938.7865 6.0154 6.0579 PRESSURE: 2442800 -12.5301 -95.3631 -123.363 -95.363 -321.503 -155.025 -123.361 -155.025 -124.833 GPRESSURE: 2442800 7.45881 -149.272 -180.591 -86.1706 -316.895 -69.0571 -177.836 -171.639 -70.346 PRESSAVG: 2442800 -8.10078 -56.1885 -22.8027 -56.1884 -42.3229 -10.7591 -22.8025 -10.7591 44.566 GPRESSAVG: 2442800 -8.04558 -57.9241 -22.8897 -53.7302 -43.2444 -11.1308 -21.6736 -9.31201 45.7831 TIMING: 2442800 CPU: 7088.79, 0.00289489/step Wall: 7088.79, 0.00289489/step, 2.05634 hours remaining, 206.011719 MB of memory in use. ENERGY: 2442800 768.4325 2090.3947 1968.2444 121.2274 -206120.0145 17667.5884 0.0000 0.0000 34314.3075 -149189.8196 299.6754 -183504.1271 -149101.4912 299.3975 -152.9554 -126.5939 558415.2032 -1.9525 -1.8356 PRESSURE: 2443000 -121.126 100.297 -103.57 100.296 -157.572 -119.126 -103.568 -119.129 -205.727 GPRESSURE: 2443000 -19.4949 75.5267 -45.7533 153.673 -147.941 -43.0206 -185.806 -116.151 -217.043 PRESSAVG: 2443000 9.47556 -40.2874 -32.2435 -40.2874 -5.89381 -30.0535 -32.2435 -30.0535 -0.593242 GPRESSAVG: 2443000 8.88683 -38.1887 -32.0164 -43.2701 -5.58716 -30.2684 -33.9646 -31.3311 -0.361526 TIMING: 2443000 CPU: 7089.36, 0.00288718/step Wall: 7089.36, 0.00288718/step, 2.0507 hours remaining, 206.011719 MB of memory in use. ENERGY: 2443000 761.0783 2104.8906 1973.4943 124.2919 -205662.8299 17443.5182 0.0000 0.0000 34032.0925 -149223.4641 297.2107 -183255.5566 -149131.1765 299.0858 -161.4750 -128.1598 558248.1933 0.9962 0.9794 PRESSURE: 2443200 -206.173 63.8871 71.6915 63.8864 13.0379 -161.685 71.6922 -161.685 -93.4895 GPRESSURE: 2443200 -189.392 38.8048 169.046 59.7302 42.3865 -150.968 40.9039 -213.3 -52.0416 PRESSAVG: 2443200 8.38205 -19.0269 -69.1538 -19.0269 -27.2682 -13.3507 -69.1539 -13.3508 -11.7921 GPRESSAVG: 2443200 8.2582 -19.4781 -69.913 -16.1679 -26.8826 -15.0224 -67.1081 -12.6364 -12.2184 TIMING: 2443200 CPU: 7089.94, 0.00290396/step Wall: 7089.94, 0.00290396/step, 2.06246 hours remaining, 206.011719 MB of memory in use. ENERGY: 2443200 795.0318 2079.1458 1988.1901 110.0632 -206047.4088 17794.3085 0.0000 0.0000 34171.8966 -149108.7728 298.4317 -183280.6693 -149016.7521 299.7179 -95.5416 -66.3492 557698.4531 -10.2261 -10.2809 PRESSURE: 2443400 116.841 179.057 -132.9 179.057 163.462 181.106 -132.9 181.107 52.8333 GPRESSURE: 2443400 156.84 148.387 -128.828 253.861 223.312 267.159 -134.504 86.9282 44.2968 PRESSAVG: 2443400 -26.9618 33.478 -27.8839 33.478 35.7816 -22.0812 -27.8838 -22.0813 -66.5157 GPRESSAVG: 2443400 -26.0165 33.6568 -26.7033 31.3997 35.274 -18.3627 -30.0634 -25.5516 -66.9472 TIMING: 2443400 CPU: 7090.52, 0.0028881/step Wall: 7090.52, 0.0028881/step, 2.05103 hours remaining, 206.011719 MB of memory in use. ENERGY: 2443400 773.7082 2105.4542 1970.5906 114.9778 -206140.9610 17858.0342 0.0000 0.0000 34229.2422 -149088.9538 298.9325 -183318.1960 -148995.7438 299.6362 111.0454 141.4829 557330.3205 -19.2320 -19.2299 PRESSURE: 2443600 51.7752 -107.207 -118.519 -107.208 138.685 -110.418 -118.519 -110.418 102.694 GPRESSURE: 2443600 75.0223 -87.8022 -47.6719 -95.0903 144.583 -166.501 -149.106 -119.089 166.578 PRESSAVG: 2443600 -54.6382 -23.8623 27.5339 -23.8623 3.38522 3.65039 27.5339 3.6505 22.8389 GPRESSAVG: 2443600 -55.1274 -23.6754 27.7046 -22.4407 3.17688 1.65614 29.3592 6.19034 23.9271 TIMING: 2443600 CPU: 7091.1, 0.0028822/step Wall: 7091.1, 0.0028822/step, 2.04668 hours remaining, 206.011719 MB of memory in use. ENERGY: 2443600 753.0477 2029.4357 1982.3346 128.8946 -206305.8821 17903.3150 0.0000 0.0000 34393.7395 -149115.1151 300.3691 -183508.8545 -149015.2769 299.7843 97.7182 128.7274 556487.2781 -9.4714 -9.3411 PRESSURE: 2443800 107.682 -85.3648 -50.8626 -85.3638 -171.167 80.3429 -50.8624 80.3416 50.69 GPRESSURE: 2443800 164.688 -20.3418 -10.0752 -177.752 -110.577 20.5109 8.22854 37.8878 48.2082 PRESSAVG: 2443800 9.34635 -8.4091 48.9392 -8.40907 18.1063 28.0633 48.9393 28.0634 -15.5405 GPRESSAVG: 2443800 10.0397 -7.21373 50.1202 -11.0993 17.7838 28.4666 47.5952 26.099 -15.8095 TIMING: 2443800 CPU: 7091.67, 0.00287648/step Wall: 7091.67, 0.00287648/step, 2.04246 hours remaining, 206.152344 MB of memory in use. ENERGY: 2443800 738.1291 2102.5857 1972.2749 114.8111 -206123.3083 17878.9940 0.0000 0.0000 34327.9021 -148988.6113 299.7941 -183316.5134 -148895.7034 300.0309 -4.2650 34.1066 558108.8133 3.9707 4.0047 PRESSURE: 2444000 136.692 80.2379 82.5345 80.2384 274.963 -95.5443 82.535 -95.5435 -186.977 GPRESSURE: 2444000 161.365 25.2598 148.973 46.7676 339.403 -34.8447 71.4672 -97.2589 -176.029 PRESSAVG: 2444000 -9.31106 29.367 1.05892 29.3671 14.2318 0.660008 1.05889 0.660071 -11.3785 GPRESSAVG: 2444000 -9.89659 27.7848 0.449576 30.4198 14.3218 1.58924 2.01456 1.5205 -10.7549 TIMING: 2444000 CPU: 7092.25, 0.00288285/step Wall: 7092.25, 0.00288285/step, 2.04682 hours remaining, 206.152344 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: 2444000 739.7557 2054.9251 1985.2443 119.2470 -206270.9814 18011.6680 0.0000 0.0000 34388.2780 -148971.8632 300.3214 -183360.1412 -148877.3628 299.9956 74.8927 108.2464 558674.2757 -2.1526 -2.1099 PRESSURE: 2444200 -32.1857 7.56955 -207.973 7.5695 78.6594 -112.263 -207.973 -112.265 6.32091 GPRESSURE: 2444200 34.7338 -10.2298 -214.448 30.1984 134.634 -161.799 -184.53 -121.828 -12.6568 PRESSAVG: 2444200 -42.5782 39.9644 -20.6421 39.9645 84.5739 -20.4188 -20.6421 -20.4187 -16.7208 GPRESSAVG: 2444200 -41.6677 40.4329 -23.7499 40.0753 84.8336 -21.1318 -19.7604 -20.0378 -18.1532 TIMING: 2444200 CPU: 7092.83, 0.00287795/step Wall: 7092.83, 0.00287795/step, 2.04319 hours remaining, 206.152344 MB of memory in use. ENERGY: 2444200 763.8428 2083.0792 1993.5317 127.3596 -206282.6380 17822.4529 0.0000 0.0000 34307.3953 -149184.9766 299.6150 -183492.3719 -149093.0498 299.8656 17.5982 52.2371 555769.1364 8.4250 8.3376 LDB: ============= START OF LOAD BALANCING ============== 7096.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7096.29 LDB: =============== DONE WITH MIGRATION ================ 7096.29 LDB: ============= START OF LOAD BALANCING ============== 7096.58 LDB: Largest compute 4821 load 0.032553 is 27.6% of average load 0.117750 LDB: Average compute 0.001723 is 1.5% of average load 0.117750 LDB: TIME 7096.59 LOAD: AVG 0.11775 MAX 0.180111 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 7096.59 LOAD: AVG 0.11775 MAX 0.180111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: TIME 7096.59 LOAD: AVG 0.11775 MAX 0.180111 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.082 MB LDB: ============== END OF LOAD BALANCING =============== 7096.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7096.59 PRESSURE: 2444400 86.8452 -83.9953 -108.382 -83.9951 61.7894 -57.4714 -108.381 -57.4716 -109.067 GPRESSURE: 2444400 106.418 -72.596 -86.9158 -47.8071 60.8556 -68.2097 -74.4577 -58.9224 -27.8529 PRESSAVG: 2444400 66.8531 -31.6582 32.3436 -31.6581 5.09824 0.201456 32.3437 0.201523 -78.1571 GPRESSAVG: 2444400 65.7273 -31.065 31.2939 -32.4772 4.74058 2.40111 33.9596 -1.56086 -76.5743 TIMING: 2444400 CPU: 7093.42, 0.00295548/step Wall: 7093.42, 0.00295548/step, 2.09806 hours remaining, 205.929688 MB of memory in use. ENERGY: 2444400 742.7508 2079.7885 1969.3530 101.2185 -206443.0718 17924.8246 0.0000 0.0000 34217.2966 -149407.8399 298.8282 -183625.1365 -149304.5031 299.0615 13.1894 46.4736 556284.7410 -2.0686 -2.0355 PRESSURE: 2444600 -321.252 -120.612 11.9494 -120.614 -396.778 -47.2606 11.9477 -47.2614 -103.521 GPRESSURE: 2444600 -278.734 -130.667 8.40136 -90.9585 -336.242 -43.9292 7.85791 -62.602 -113.392 PRESSAVG: 2444600 97.4672 -2.85739 -27.0187 -2.85744 5.49158 23.5733 -27.0187 23.5733 -103.563 GPRESSAVG: 2444600 97.5391 -4.34735 -23.6541 -1.65082 6.27976 23.821 -28.9975 22.8529 -104.226 TIMING: 2444600 CPU: 7093.99, 0.00287579/step Wall: 7093.99, 0.00287579/step, 2.04133 hours remaining, 206.128906 MB of memory in use. ENERGY: 2444600 766.5027 2095.9822 1954.2227 117.3921 -206048.0271 17539.7145 0.0000 0.0000 33952.2662 -149621.9468 296.5136 -183574.2130 -149526.9248 298.0153 -273.8502 -242.7893 557904.1175 -0.2013 -0.1359 PRESSURE: 2444800 -100.002 71.6803 -270.499 71.6809 3.04865 42.8117 -270.5 42.8114 97.4018 GPRESSURE: 2444800 -26.8748 101.358 -291.668 19.4092 -6.62357 101.275 -209.033 145.008 146.969 PRESSAVG: 2444800 48.8878 -12.4212 -44.8431 -12.4211 -16.1012 25.3164 -44.8431 25.3164 6.35666 GPRESSAVG: 2444800 49.3532 -12.8703 -44.3537 -12.8554 -16.5938 25.7918 -46.0759 26.6605 6.53029 TIMING: 2444800 CPU: 7094.57, 0.00288734/step Wall: 7094.57, 0.00288734/step, 2.04937 hours remaining, 206.128906 MB of memory in use. ENERGY: 2444800 748.4837 2041.5212 1956.5434 119.7210 -206478.2976 18048.1876 0.0000 0.0000 34109.5368 -149454.3039 297.8871 -183563.8407 -149363.7626 298.1092 0.1496 37.8235 557646.6129 13.0477 13.0966 PRESSURE: 2445000 7.54909 -145.993 24.3681 -145.992 168.735 77.0592 24.3696 77.0587 -49.516 GPRESSURE: 2445000 59.1663 -87.0185 117.9 -196.752 179.777 58.6355 -68.7554 107.145 -22.6559 PRESSAVG: 2445000 63.5691 52.5522 -31.5672 52.5523 -6.59408 29.6293 -31.5672 29.6292 -52.8465 GPRESSAVG: 2445000 63.253 52.8531 -34.4178 54.0677 -7.30094 26.1987 -29.5418 28.7067 -51.9686 TIMING: 2445000 CPU: 7095.14, 0.0028776/step Wall: 7095.14, 0.0028776/step, 2.04229 hours remaining, 206.128906 MB of memory in use. ENERGY: 2445000 714.0498 2086.4829 1946.5304 107.0288 -206615.4658 17906.4902 0.0000 0.0000 34230.4389 -149624.4448 298.9429 -183854.8837 -149527.5482 298.2016 42.2561 72.0958 558053.4747 1.3762 1.3278 PRESSURE: 2445200 59.1021 92.2892 200.819 92.2883 300.375 -31.0226 200.819 -31.0241 18.2201 GPRESSURE: 2445200 91.7596 112.342 229.827 118.298 370.504 24.9319 177.934 -49.8951 5.90104 PRESSAVG: 2445200 13.171 -5.57588 20.0581 -5.57578 12.4153 11.2365 20.0581 11.2365 8.88789 GPRESSAVG: 2445200 11.7004 -5.64518 22.0924 -7.15367 13.2995 12.4318 20.4625 10.7304 9.37651 TIMING: 2445200 CPU: 7095.72, 0.00288416/step Wall: 7095.72, 0.00288416/step, 2.04679 hours remaining, 206.128906 MB of memory in use. ENERGY: 2445200 719.6062 2107.3450 1949.3922 125.1810 -206844.1260 18179.3094 0.0000 0.0000 34165.7845 -149597.5079 298.3783 -183763.2923 -149505.3459 298.6072 125.8991 156.0548 557566.0140 11.4914 11.4588 PRESSURE: 2445400 -87.6767 9.098 -114.315 9.09785 -253.294 -77.4449 -114.314 -77.4451 197.465 GPRESSURE: 2445400 -46.9655 -30.428 -59.9804 74.2357 -242.758 -51.8489 -139.967 -72.8504 249.989 PRESSAVG: 2445400 55.7346 23.0725 22.4456 23.0725 -0.182712 1.96581 22.4457 1.9658 -64.9009 GPRESSAVG: 2445400 56.5383 24.6509 23.7518 22.4737 -1.39245 0.514855 19.316 2.80698 -64.7753 TIMING: 2445400 CPU: 7096.3, 0.00288504/step Wall: 7096.3, 0.00288504/step, 2.04726 hours remaining, 206.128906 MB of memory in use. ENERGY: 2445400 792.0203 2093.7708 1952.3009 126.1535 -206686.5583 17909.3214 0.0000 0.0000 34281.4213 -149531.5702 299.3882 -183812.9915 -149430.0418 298.3512 -47.8352 -13.2449 556690.6637 -3.1163 -3.2098 PRESSURE: 2445600 16.936 75.5366 258.86 75.536 -96.2544 55.3961 258.861 55.3949 -104.8 GPRESSURE: 2445600 48.9285 89.8233 284.695 60.974 7.43899 51.9077 327.639 12.1832 -139.493 PRESSAVG: 2445600 33.2708 30.4685 58.8987 30.4686 -16.3531 -26.7803 58.8988 -26.7804 6.1997 GPRESSAVG: 2445600 33.5648 30.1366 56.3425 30.4024 -17.3326 -26.3436 59.948 -27.6393 6.27903 TIMING: 2445600 CPU: 7096.88, 0.00288366/step Wall: 7096.88, 0.00288366/step, 2.04612 hours remaining, 206.128906 MB of memory in use. ENERGY: 2445600 770.0258 2091.6370 1983.8190 117.5306 -206323.5018 17772.7120 0.0000 0.0000 34168.0579 -149419.7195 298.3981 -183587.7774 -149326.7023 298.1325 -61.3727 -27.7085 557097.6153 7.7058 7.5037 PRESSURE: 2445800 -144.64 75.4497 60.3335 75.4505 96.1548 143.997 60.3334 143.996 -53.9338 GPRESSURE: 2445800 -78.2699 66.7203 88.734 16.0115 47.2364 140.194 40.6269 140.735 15.6209 PRESSAVG: 2445800 15.4321 -35.2962 34.5022 -35.2962 9.19258 76.8717 34.5021 76.8718 -4.00806 GPRESSAVG: 2445800 15.2645 -36.4611 35.6841 -35.202 10.4536 77.3013 34.1124 77.3474 -4.73843 TIMING: 2445800 CPU: 7097.45, 0.00288594/step Wall: 7097.45, 0.00288594/step, 2.04758 hours remaining, 206.128906 MB of memory in use. ENERGY: 2445800 720.3877 2072.2171 1980.2826 117.1488 -206329.0520 17842.8635 0.0000 0.0000 34050.6252 -149545.5270 297.3726 -183596.1522 -149455.8392 298.5888 -34.1396 -5.1375 556126.9053 6.8722 6.9932 PRESSURE: 2446000 123.139 -175.569 -27.7829 -175.569 54.4285 -212.471 -27.7813 -212.47 98.8751 GPRESSURE: 2446000 153.458 -134.07 -80.8845 -135.87 47.2082 -202.758 80.3265 -107.606 170.958 PRESSAVG: 2446000 -43.4379 31.3617 -4.11867 31.3617 -0.915969 -15.0735 -4.11874 -15.0735 37.5609 GPRESSAVG: 2446000 -42.8654 31.739 -5.04461 32.7904 -0.63952 -13.7137 -1.98688 -14.9498 36.7568 TIMING: 2446000 CPU: 7098.03, 0.00286522/step Wall: 7098.03, 0.00286522/step, 2.03271 hours remaining, 206.128906 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: 2446000 713.6916 2109.1570 1952.1954 109.8197 -206403.6694 17943.2820 0.0000 0.0000 34102.5480 -149472.9757 297.8260 -183575.5237 -149377.8089 298.0165 92.1476 123.8746 557594.1322 -2.2643 -2.2494 PRESSURE: 2446200 -230.423 -9.00041 -19.4183 -8.99972 80.584 -55.7042 -19.4185 -55.7046 -121.102 GPRESSURE: 2446200 -145.976 31.356 -50.9308 30.2583 106.723 -154.626 30.8959 -26.4903 -120.429 PRESSAVG: 2446200 6.78292 33.9719 20.2567 33.9718 -10.299 8.54996 20.2567 8.54988 -24.0575 GPRESSAVG: 2446200 7.65836 35.1462 20.7648 31.8637 -10.6726 9.34017 17.7467 6.6146 -25.2177 TIMING: 2446200 CPU: 7098.6, 0.00287873/step Wall: 7098.6, 0.00287873/step, 2.04214 hours remaining, 206.128906 MB of memory in use. ENERGY: 2446200 725.9426 2089.8828 1980.7916 111.5617 -206183.7393 17670.6853 0.0000 0.0000 34196.1572 -149408.7181 298.6435 -183604.8753 -149310.2030 298.8005 -90.3139 -53.2272 559338.0230 -9.1912 -9.4107 PRESSURE: 2446400 -292.035 152.732 123.058 152.732 127.856 128.521 123.058 128.521 20.9471 GPRESSURE: 2446400 -286.221 162.052 -9.09041 133.486 114.168 188.693 177.438 168.835 119.931 PRESSAVG: 2446400 14.2121 -15.7746 5.97122 -15.7745 -24.616 44.0872 5.97127 44.0872 10.2305 GPRESSAVG: 2446400 12.4594 -15.5475 7.62685 -16.2297 -24.1872 41.838 6.29575 45.1936 11.6458 TIMING: 2446400 CPU: 7099.18, 0.00289182/step Wall: 7099.18, 0.00289182/step, 2.05127 hours remaining, 206.128906 MB of memory in use. ENERGY: 2446400 725.9862 2042.4013 1955.9763 109.7191 -206180.0058 17773.6387 0.0000 0.0000 34107.5626 -149464.7218 297.8698 -183572.2844 -149366.5413 298.3647 -47.7441 -17.3742 558616.4958 -0.0578 -0.0273 PRESSURE: 2446600 184.051 85.9685 -4.09577 85.9691 -45.1137 2.7185 -4.09713 2.71805 102.553 GPRESSURE: 2446600 200.181 130.594 22.0052 20.5323 -32.8658 38.431 47.0751 3.20666 163.712 PRESSAVG: 2446600 -1.76013 24.5292 33.6172 24.5292 8.33437 16.0029 33.6171 16.0028 -24.7127 GPRESSAVG: 2446600 -1.3078 22.7119 31.9348 26.0403 6.80327 17.4524 34.284 14.3566 -24.2097 TIMING: 2446600 CPU: 7099.76, 0.00288512/step Wall: 7099.76, 0.00288512/step, 2.04635 hours remaining, 206.128906 MB of memory in use. ENERGY: 2446600 739.2406 2033.4523 1937.1038 111.0765 -206549.3334 18145.2456 0.0000 0.0000 34157.9918 -149425.2229 298.3102 -183583.2147 -149327.7782 298.1793 80.4965 110.3424 558575.3480 -6.0461 -6.2381 PRESSURE: 2446800 85.3343 87.5945 163.589 87.594 11.9053 30.6983 163.59 30.6977 217.408 GPRESSURE: 2446800 111.721 112.382 200.792 82.1735 86.8388 -6.61794 225.143 16.2684 216.709 PRESSAVG: 2446800 -21.0426 34.8724 23.6882 34.8723 82.4132 68.8451 23.6881 68.8452 -20.125 GPRESSAVG: 2446800 -22.3875 39.0838 25.326 33.1059 84.844 69.4434 24.0317 70.5683 -21.1703 TIMING: 2446800 CPU: 7100.33, 0.00286637/step Wall: 7100.33, 0.00286637/step, 2.03289 hours remaining, 206.128906 MB of memory in use. ENERGY: 2446800 739.2290 2100.3356 1966.4063 117.0498 -206249.9707 17948.8776 0.0000 0.0000 34116.4112 -149261.6613 297.9471 -183378.0725 -149166.3208 298.1521 104.8827 138.4231 557669.9368 13.7485 13.7620 PRESSURE: 2447000 -46.4609 -16.4626 -61.7672 -16.4623 -194.512 -21.0054 -61.7683 -21.0033 -166.126 GPRESSURE: 2447000 -29.6564 -7.80615 -52.6354 -13.5165 -153.001 -3.56801 -148.374 -76.7219 -133.834 PRESSAVG: 2447000 28.6976 33.5972 -4.45919 33.5972 37.0972 33.007 -4.45921 33.0072 -59.1825 GPRESSAVG: 2447000 29.6329 28.967 -5.06682 38.4083 37.0269 30.6529 -5.83246 34.2072 -59.4405 TIMING: 2447000 CPU: 7100.9, 0.00287327/step Wall: 7100.9, 0.00287327/step, 2.03762 hours remaining, 206.332031 MB of memory in use. ENERGY: 2447000 724.7248 2114.3387 1982.6977 113.0097 -206214.6520 17637.1761 0.0000 0.0000 34508.4164 -149134.2886 301.3706 -183642.7050 -149031.9147 299.5074 -135.6994 -105.4970 558060.1741 2.2041 2.4065 PRESSURE: 2447200 -123.624 83.101 49.5862 83.1013 -165.764 -8.78924 49.5852 -8.79077 -257.376 GPRESSURE: 2447200 -70.3169 56.7791 -12.5107 65.7618 -117.027 -31.8319 36.9765 -56.863 -263.02 PRESSAVG: 2447200 -4.18608 -49.1694 2.31003 -49.1695 -31.4121 31.0193 2.31007 31.0194 10.5392 GPRESSAVG: 2447200 -4.33455 -46.0069 0.986314 -53.7858 -31.964 30.6942 2.61573 29.2704 10.7871 TIMING: 2447200 CPU: 7101.48, 0.00288397/step Wall: 7101.48, 0.00288397/step, 2.04505 hours remaining, 206.332031 MB of memory in use. ENERGY: 2447200 729.5684 2068.1799 1965.3972 122.7401 -205867.6198 17533.2503 0.0000 0.0000 34290.4566 -149158.0273 299.4671 -183448.4838 -149058.5007 299.0776 -182.2550 -150.1214 558657.3424 -8.3530 -8.5038 PRESSURE: 2447400 232.63 -7.15965 129.825 -7.16005 -31.9704 42.3839 129.826 42.3825 -27.949 GPRESSURE: 2447400 249.272 -4.5457 208.294 14.3975 26.6664 80.3065 92.8552 -6.20528 2.70368 PRESSAVG: 2447400 -40.7491 -15.701 26.4968 -15.7009 18.5933 10.6867 26.4968 10.6867 12.7452 GPRESSAVG: 2447400 -39.2226 -15.8569 27.7575 -13.19 18.6176 11.4711 27.8162 10.0612 12.1221 TIMING: 2447400 CPU: 7102.06, 0.00289388/step Wall: 7102.06, 0.00289388/step, 2.05192 hours remaining, 206.332031 MB of memory in use. ENERGY: 2447400 767.3336 2112.1268 1957.0088 111.4375 -206360.2356 17913.5029 0.0000 0.0000 34381.2149 -149117.6113 300.2597 -183498.8262 -149020.4144 299.0990 57.5701 92.8806 556115.7628 -3.1369 -2.8276 PRESSURE: 2447600 223.151 -94.5289 6.98469 -94.5283 -56.5788 8.03027 6.98348 8.03113 -119.768 GPRESSURE: 2447600 185.605 -134.541 3.67203 -124.06 -24.9192 16.0802 51.5073 12.3169 -20.9109 PRESSAVG: 2447600 22.4985 40.254 10.5069 40.254 3.95445 48.2338 10.507 48.2338 -10.0494 GPRESSAVG: 2447600 20.6737 39.7497 9.37337 37.4384 4.72802 48.1789 11.0226 48.71 -8.88345 TIMING: 2447600 CPU: 7102.64, 0.00290051/step Wall: 7102.64, 0.00290051/step, 2.05646 hours remaining, 206.332031 MB of memory in use. ENERGY: 2447600 768.3878 2122.6932 1964.8935 99.9138 -206234.0861 17851.7866 0.0000 0.0000 34287.7865 -149138.6246 299.4438 -183426.4112 -149047.1264 299.5775 15.6014 46.5915 556145.0245 5.4679 5.5061 PRESSURE: 2447800 -187.066 25.506 -83.4927 25.5058 15.2179 168.061 -83.4919 168.06 -307.627 GPRESSURE: 2447800 -121.328 3.76592 -146.856 89.3639 60.5049 197.992 -94.5487 133.015 -325.566 PRESSAVG: 2447800 74.6592 54.0731 -22.3263 54.0731 -33.5751 -0.647005 -22.3262 -0.647076 -2.89219 GPRESSAVG: 2447800 76.1736 54.675 -23.0976 56.326 -34.3247 0.537282 -23.113 -0.525486 -4.01549 TIMING: 2447800 CPU: 7103.22, 0.00290362/step Wall: 7103.22, 0.00290362/step, 2.05851 hours remaining, 206.332031 MB of memory in use. ENERGY: 2447800 726.3280 2137.9791 1979.5253 121.9552 -206088.7217 17689.3573 0.0000 0.0000 34236.3172 -149197.2597 298.9943 -183433.5768 -149101.2442 299.3843 -159.8250 -128.7964 557528.2503 12.7306 12.6111 PRESSURE: 2448000 148.646 192.182 191.439 192.182 85.2225 -15.1337 191.44 -15.1332 -76.8717 GPRESSURE: 2448000 116.005 168.372 85.6203 141.367 133.475 69.4799 143.744 -105.197 -6.36139 PRESSAVG: 2448000 1.26714 53.3034 12.8678 53.3033 -2.64147 -15.7205 12.8679 -15.7205 -32.3904 GPRESSAVG: 2448000 0.214034 51.7801 12.7781 55.0648 -2.17653 -17.8406 12.096 -14.4591 -31.6954 TIMING: 2448000 CPU: 7103.8, 0.00291756/step Wall: 7103.8, 0.00291756/step, 2.06823 hours remaining, 206.332031 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: 2448000 706.6703 2157.8643 1963.3654 112.4358 -205997.4655 17706.3213 0.0000 0.0000 34111.0366 -149239.7717 297.9002 -183350.8083 -149143.9398 298.9519 52.3322 81.0395 557383.2441 -11.2549 -11.2193 PRESSURE: 2448200 254.614 -38.607 135.041 -38.6076 -264.853 34.8046 135.042 34.805 200.66 GPRESSURE: 2448200 293.397 -123.523 100.222 44.137 -247.526 2.24442 161.614 87.7746 248.11 PRESSAVG: 2448200 10.5573 10.1058 -18.0929 10.1059 -50.2535 -0.551507 -18.0929 -0.551468 4.82001 GPRESSAVG: 2448200 11.0885 10.2799 -17.8953 8.00519 -50.6964 0.527019 -18.0668 -1.13438 4.22825 TIMING: 2448200 CPU: 7104.38, 0.00289207/step Wall: 7104.38, 0.00289207/step, 2.05 hours remaining, 206.332031 MB of memory in use. ENERGY: 2448200 698.7164 2096.4242 1973.9119 133.8707 -206299.8016 17965.9996 0.0000 0.0000 34226.3732 -149204.5056 298.9074 -183430.8789 -149112.2756 298.9167 63.4736 97.9939 558266.2460 -11.6254 -11.7932 LDB: ============= START OF LOAD BALANCING ============== 7107.85 LDB: ============== END OF LOAD BALANCING =============== 7107.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7107.85 LDB: ============= START OF LOAD BALANCING ============== 7108.14 LDB: Largest compute 4821 load 0.033568 is 28.5% of average load 0.117781 LDB: Average compute 0.001722 is 1.5% of average load 0.117781 LDB: TIME 7108.14 LOAD: AVG 0.117781 MAX 0.178912 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.164 MB LDB: TIME 7108.14 LOAD: AVG 0.117781 MAX 0.178912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.168 MB LDB: TIME 7108.14 LOAD: AVG 0.117781 MAX 0.178912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.168 MB LDB: ============== END OF LOAD BALANCING =============== 7108.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7108.15 PRESSURE: 2448400 184.748 69.1201 144.636 69.1196 -16.6792 -149.901 144.635 -149.9 -338.738 GPRESSURE: 2448400 185.976 23.6165 201.97 86.448 51.5061 -37.4702 165.382 -67.7561 -312.281 PRESSAVG: 2448400 41.912 25.9206 -21.2699 25.9206 -63.094 -18.0616 -21.27 -18.0616 53.1829 GPRESSAVG: 2448400 41.8851 25.3881 -20.5015 26.7124 -63.7747 -16.4066 -23.0823 -18.7109 53.3493 TIMING: 2448400 CPU: 7104.97, 0.00295309/step Wall: 7104.97, 0.00295309/step, 2.09308 hours remaining, 208.308594 MB of memory in use. ENERGY: 2448400 777.8806 2085.5657 1974.2634 112.1151 -206084.2147 17693.8758 0.0000 0.0000 34283.1838 -149157.3303 299.4036 -183440.5141 -149059.1750 299.6106 -56.8897 -24.9329 556998.9996 10.6670 10.4866 PRESSURE: 2448600 -15.4261 -96.2518 21.4099 -96.2513 -289.214 100.724 21.409 100.722 -138.347 GPRESSURE: 2448600 18.9685 -89.9704 138.154 -62.8106 -246.83 187.834 34.2408 117.663 -111.546 PRESSAVG: 2448600 -16.0525 -14.8238 30.3285 -14.8238 -42.864 69.1011 30.3284 69.1011 32.5906 GPRESSAVG: 2448600 -15.749 -12.6426 28.669 -16.3157 -42.5972 68.3871 33.2092 68.4396 32.3071 TIMING: 2448600 CPU: 7105.55, 0.00290276/step Wall: 7105.55, 0.00290276/step, 2.05725 hours remaining, 208.550781 MB of memory in use. ENERGY: 2448600 742.0345 2094.1184 1951.3554 111.1997 -205929.0601 17636.3114 0.0000 0.0000 34336.8204 -149057.2205 299.8720 -183394.0408 -148965.8546 300.1311 -147.6626 -113.1357 557937.6201 -8.7753 -8.6797 PRESSURE: 2448800 5.17298 119.003 -69.1387 119.003 135.927 30.4014 -69.1399 30.4026 -97.7354 GPRESSURE: 2448800 20.5775 138.964 -66.7426 41.1429 130.87 22.6767 -75.5652 33.1716 -15.0392 PRESSAVG: 2448800 2.5832 19.9071 11.277 19.9072 28.103 -18.6472 11.277 -18.6472 13.905 GPRESSAVG: 2448800 2.96012 19.5284 14.4914 19.6529 27.6254 -19.0092 10.5133 -19.0444 14.0563 TIMING: 2448800 CPU: 7106.13, 0.0028973/step Wall: 7106.13, 0.0028973/step, 2.05322 hours remaining, 208.550781 MB of memory in use. ENERGY: 2448800 753.5026 2135.8818 1994.4088 114.0800 -206115.2832 17795.3014 0.0000 0.0000 34313.8800 -149008.2286 299.6716 -183322.1086 -148909.2941 300.0048 14.4548 45.4695 556064.4120 14.8637 14.8806 PRESSURE: 2449000 0.797026 -60.3328 115.575 -60.3341 181.401 -80.1482 115.575 -80.1468 -3.38956 GPRESSURE: 2449000 -6.29973 -72.1928 104.61 -77.0225 240.134 -64.9953 93.269 -33.632 38.5206 PRESSAVG: 2449000 27.915 9.56153 24.9416 9.56145 27.615 0.920332 24.9415 0.920427 -55.1306 GPRESSAVG: 2449000 25.9512 4.90837 24.4312 11.4692 27.8746 1.26527 23.6395 3.35516 -53.8823 TIMING: 2449000 CPU: 7106.71, 0.00288801/step Wall: 7106.71, 0.00288801/step, 2.04648 hours remaining, 208.550781 MB of memory in use. ENERGY: 2449000 732.0662 2083.2418 1991.2455 125.4057 -206270.3314 17773.4312 0.0000 0.0000 34497.4042 -149067.5368 301.2744 -183564.9410 -148972.8899 299.6253 59.6030 90.7848 557368.0855 0.1331 -0.0189 PRESSURE: 2449200 1.18744 -10.0838 -0.434082 -10.0833 -118.882 -110.516 -0.43299 -110.517 81.7322 GPRESSURE: 2449200 15.4817 -46.3239 -101.993 -35.3601 -86.7915 -47.9331 21.2114 -112.618 120.596 PRESSAVG: 2449200 24.4032 -26.555 6.34007 -26.555 -55.5189 15.6485 6.33998 15.6484 28.5855 GPRESSAVG: 2449200 25.5426 -25.3056 5.56784 -27.3063 -55.1157 14.284 9.60139 14.9912 27.0555 TIMING: 2449200 CPU: 7107.29, 0.0029049/step Wall: 7107.29, 0.0029049/step, 2.05829 hours remaining, 208.550781 MB of memory in use. ENERGY: 2449200 749.9203 2117.2401 1970.1354 122.0770 -206080.6886 17798.2420 0.0000 0.0000 34442.9091 -148880.1648 300.7985 -183323.0739 -148786.1837 299.7283 -11.9873 16.4286 557325.2765 -0.8434 -0.8392 PRESSURE: 2449400 52.2561 -45.141 -4.93876 -45.1403 -61.658 -6.58696 -4.94007 -6.58781 -165.587 GPRESSURE: 2449400 102.63 -43.0733 20.5227 -31.2785 -27.2044 2.84182 -4.05878 98.5363 -150.337 PRESSAVG: 2449400 1.54771 26.3267 -21.5502 26.3266 -17.3976 25.8546 -21.5501 25.8544 8.8461 GPRESSAVG: 2449400 1.65732 28.2644 -22.9636 25.1806 -17.8157 26.2571 -22.8203 24.8328 9.25107 TIMING: 2449400 CPU: 7107.87, 0.00291348/step Wall: 7107.87, 0.00291348/step, 2.0642 hours remaining, 208.550781 MB of memory in use. ENERGY: 2449400 799.1772 2015.8586 1971.3359 103.9633 -205865.3358 17698.8340 0.0000 0.0000 34419.0511 -148857.1157 300.5901 -183276.1668 -148755.6251 300.5882 -58.3296 -24.9702 556941.7196 -2.3346 -2.3024 PRESSURE: 2449600 239.207 -98.8341 50.1609 -98.8333 120.505 -118.364 50.1601 -118.365 -68.0854 GPRESSURE: 2449600 280.408 -22.3642 61.9572 -84.0288 134.941 -189.743 57.2676 -33.1916 -19.6635 PRESSAVG: 2449600 8.55857 -24.9768 6.13278 -24.9768 -22.3745 -42.4545 6.13271 -42.4546 -50.1377 GPRESSAVG: 2449600 10.0514 -26.6233 7.84365 -23.2113 -22.9792 -43.005 5.71976 -41.4673 -50.593 TIMING: 2449600 CPU: 7108.45, 0.0028966/step Wall: 7108.45, 0.0028966/step, 2.05208 hours remaining, 208.550781 MB of memory in use. ENERGY: 2449600 698.4716 2053.8657 1981.3728 117.6206 -205953.2238 17700.3813 0.0000 0.0000 34457.7220 -148943.7898 300.9279 -183401.5118 -148836.5062 299.8522 97.2089 131.8950 557160.3269 -21.3179 -21.1736 PRESSURE: 2449800 -225.945 -51.7963 172.883 -51.7966 148.772 -9.1228 172.882 -9.12404 34.313 GPRESSURE: 2449800 -114.756 -74.7911 145.582 3.24396 156.555 47.7188 171.031 89.3704 2.60671 PRESSAVG: 2449800 -19.1498 -26.3103 21.2534 -26.3103 -12.6595 26.5773 21.2534 26.5772 47.693 GPRESSAVG: 2449800 -21.1147 -25.8607 23.1664 -27.6618 -12.3033 27.2675 22.3609 25.7401 49.5963 TIMING: 2449800 CPU: 7109.03, 0.00289373/step Wall: 7109.03, 0.00289373/step, 2.04989 hours remaining, 208.550781 MB of memory in use. ENERGY: 2449800 745.8743 2060.9027 1970.2435 102.0985 -205746.0275 17674.3308 0.0000 0.0000 34355.4495 -148837.1283 300.0347 -183192.5777 -148738.1800 299.7748 -14.2866 14.8017 557752.9683 5.2946 5.3928 PRESSURE: 2450000 -140.107 -34.1024 -110.623 -34.1028 -311.78 -48.0246 -110.623 -48.0235 8.3045 GPRESSURE: 2450000 -131.694 -42.1203 -95.7214 16.1122 -266.524 -36.1318 -114.979 19.7547 50.728 PRESSAVG: 2450000 24.8491 11.4278 -0.850284 11.4277 -36.7644 -37.6956 -0.850321 -37.6955 -17.2659 GPRESSAVG: 2450000 23.7394 10.996 -2.46513 10.7763 -35.8065 -38.0944 -2.42031 -37.9353 -16.5988 TIMING: 2450000 CPU: 7109.61, 0.00288979/step Wall: 7109.61, 0.00288979/step, 2.04693 hours remaining, 208.550781 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: 2450000 737.4275 2122.9380 1968.1596 117.5253 -205752.4919 17688.9286 0.0000 0.0000 34205.0779 -148912.4350 298.7215 -183117.5129 -148814.5936 300.6410 -147.8607 -115.8299 559172.2737 -9.7271 -9.5553 PRESSURE: 2450200 378.666 17.349 33.029 17.3489 164.777 -184.069 33.0293 -184.071 246.052 GPRESSURE: 2450200 420.49 -73.3008 -2.0282 27.7043 182.779 -130.257 13.2302 -207.565 269.846 PRESSAVG: 2450200 25.508 11.7522 1.48845 11.7523 -29.3852 -32.5398 1.48841 -32.5397 2.73845 GPRESSAVG: 2450200 27.8565 12.5272 2.07477 11.571 -30.7415 -31.937 3.54628 -33.341 1.75793 TIMING: 2450200 CPU: 7110.19, 0.00287623/step Wall: 7110.19, 0.00287623/step, 2.03717 hours remaining, 208.750000 MB of memory in use. ENERGY: 2450200 740.8771 2090.4148 1962.7024 110.0536 -206185.0497 17972.7407 0.0000 0.0000 34356.4553 -148951.8058 300.0435 -183308.2611 -148863.8519 300.0058 263.1652 291.0384 554467.7410 -0.3796 -0.3757 PRESSURE: 2450400 63.1203 23.2797 -40.341 23.2801 350.825 -37.2671 -40.3416 -37.2657 -134.675 GPRESSURE: 2450400 112.096 1.43165 7.83711 -19.7762 363.687 -62.1934 -99.4539 -16.8174 -99.0959 PRESSAVG: 2450400 68.1054 34.2308 -1.43677 34.2308 16.7804 2.68041 -1.43685 2.68036 -46.1877 GPRESSAVG: 2450400 67.777 35.7898 -1.8783 33.61 16.3827 1.33692 -2.69793 2.51232 -45.6758 TIMING: 2450400 CPU: 7110.77, 0.00290996/step Wall: 7110.77, 0.00290996/step, 2.0609 hours remaining, 208.750000 MB of memory in use. ENERGY: 2450400 715.0100 2102.1358 1956.6158 124.2014 -206192.6169 17927.5925 0.0000 0.0000 34393.9505 -148973.1109 300.3709 -183367.0613 -148870.5131 299.6561 93.0900 125.5626 555703.1024 12.8994 12.8280 PRESSURE: 2450600 77.9579 -68.5937 95.068 -68.5926 -12.3385 -2.3885 95.0674 -2.38662 -268.633 GPRESSURE: 2450600 104.382 -6.49706 147.482 -51.001 47.7446 -7.45478 -67.1165 -51.141 -253.941 PRESSAVG: 2450600 58.8028 -28.4808 9.68583 -28.4808 37.9071 -16.5023 9.68578 -16.5023 -103.375 GPRESSAVG: 2450600 59.2546 -32.2134 10.7307 -24.0136 38.5128 -13.468 9.29489 -19.288 -104.156 TIMING: 2450600 CPU: 7111.35, 0.00289239/step Wall: 7111.35, 0.00289239/step, 2.04829 hours remaining, 208.750000 MB of memory in use. ENERGY: 2450600 724.9983 2154.8364 1958.3323 107.1612 -205560.0622 17372.8092 0.0000 0.0000 34381.3937 -148860.5310 300.2613 -183241.9248 -148763.9717 300.4784 -67.6712 -33.9381 556478.0515 -2.2218 -2.1296 PRESSURE: 2450800 -286.625 -12.4844 -98.026 -12.4848 -84.2444 55.6712 -98.0267 55.6701 -118.372 GPRESSURE: 2450800 -219.749 76.2608 -126.833 -4.26558 -50.3786 83.1157 -86.8528 57.0691 -118.977 PRESSAVG: 2450800 15.5141 -31.4614 22.092 -31.4614 9.05312 -0.687672 22.092 -0.687633 -36.3458 GPRESSAVG: 2450800 13.1228 -29.7609 21.3454 -33.5473 9.65935 -2.27686 21.2043 2.38795 -35.0379 TIMING: 2450800 CPU: 7111.93, 0.00289879/step Wall: 7111.93, 0.00289879/step, 2.05267 hours remaining, 208.750000 MB of memory in use. ENERGY: 2450800 775.6919 2106.7136 1975.0626 98.3718 -205246.1801 17343.3077 0.0000 0.0000 34385.9934 -148561.0392 300.3014 -182947.0325 -148471.0371 300.6212 -163.0806 -129.7016 557696.5426 -3.9262 -4.0853 PRESSURE: 2451000 -107.205 98.5449 -86.4881 98.5432 67.9033 -90.8805 -86.4865 -90.8817 -201.895 GPRESSURE: 2451000 -116.4 91.6721 4.7573 129.151 121.613 -99.9699 -173.842 -16.9912 -136.684 PRESSAVG: 2451000 46.3748 20.3466 -38.8583 20.3465 -15.0161 13.1858 -38.8584 13.1858 -35.2643 GPRESSAVG: 2451000 46.6963 23.8842 -38.7913 18.2081 -14.9756 13.418 -37.7401 11.3472 -35.1698 TIMING: 2451000 CPU: 7112.5, 0.00289073/step Wall: 7112.5, 0.00289073/step, 2.0468 hours remaining, 208.750000 MB of memory in use. ENERGY: 2451000 754.2084 2060.1300 1961.9276 106.1110 -205580.7047 17683.4932 0.0000 0.0000 34539.0126 -148475.8218 301.6378 -183014.8345 -148377.9750 300.8563 -80.3987 -43.8239 559057.9229 -1.3019 -1.1497 PRESSURE: 2451200 -172.587 -45.3749 -69.685 -45.3742 -197.848 -149.873 -69.6848 -149.874 426.338 GPRESSURE: 2451200 -87.5316 8.38126 -122.226 -56.2505 -191.915 -182.009 -31.6407 -117.384 428.615 PRESSAVG: 2451200 17.0493 11.9621 -26.9396 11.9622 -27.736 16.0866 -26.9396 16.0867 -37.5925 GPRESSAVG: 2451200 17.9428 8.66995 -27.8726 12.9725 -28.3322 16.3539 -26.5424 16.5789 -37.7364 TIMING: 2451200 CPU: 7113.08, 0.00288776/step Wall: 7113.08, 0.00288776/step, 2.04453 hours remaining, 208.750000 MB of memory in use. ENERGY: 2451200 719.3828 2120.3844 1973.1350 113.1400 -205737.9722 17750.7053 0.0000 0.0000 34648.3552 -148412.8694 302.5927 -183061.2246 -148322.5170 301.6934 18.6341 49.7230 558948.6415 -16.0931 -16.0419 PRESSURE: 2451400 370.863 9.37088 21.8592 9.37216 309.86 -71.262 21.8599 -71.2599 250.185 GPRESSURE: 2451400 345.019 28.2812 3.28788 7.86907 313.973 -79.7366 -7.10502 -68.1084 382.096 PRESSAVG: 2451400 -6.13649 -28.4358 17.8956 -28.4358 5.52433 -30.9759 17.8956 -30.9759 47.1184 GPRESSAVG: 2451400 -5.80524 -28.0835 15.4914 -28.8405 6.54853 -29.4915 17.1705 -30.0147 46.0895 TIMING: 2451400 CPU: 7113.67, 0.0029237/step Wall: 7113.67, 0.0029237/step, 2.06982 hours remaining, 208.750000 MB of memory in use. ENERGY: 2451400 731.4907 2126.1064 1959.7105 113.8785 -206043.6708 18217.8574 0.0000 0.0000 34351.1974 -148543.4300 299.9976 -182894.6274 -148455.6811 301.1623 310.3026 347.0292 558444.2879 15.5021 15.6109 PRESSURE: 2451600 78.9608 77.3055 -41.308 77.3047 46.7829 1.62075 -41.3083 1.62132 114.662 GPRESSURE: 2451600 137.114 47.8469 -72.9278 15.0716 84.7133 32.5728 -73.2773 -42.7438 111.563 PRESSAVG: 2451600 -9.48317 38.0834 -28.965 38.0833 32.1797 14.9795 -28.965 14.9795 -2.89202 GPRESSAVG: 2451600 -9.66538 35.4702 -27.1632 39.3512 31.9407 15.1906 -28.1016 15.685 -2.06173 TIMING: 2451600 CPU: 7114.25, 0.0029233/step Wall: 7114.25, 0.0029233/step, 2.06937 hours remaining, 208.750000 MB of memory in use. ENERGY: 2451600 729.0808 2103.1932 1964.6100 108.8126 -205864.6961 17781.8607 0.0000 0.0000 34584.6645 -148592.4743 302.0365 -183177.1388 -148496.3926 301.4382 80.1353 111.1302 559253.5703 6.6015 6.7379 PRESSURE: 2451800 142.846 184.294 -156.123 184.294 -91.5069 52.853 -156.123 52.8536 174.984 GPRESSURE: 2451800 205.43 140.742 -198.238 127.49 -71.6478 32.1816 -145.955 94.3072 205.496 PRESSAVG: 2451800 107.453 -14.6863 -0.264451 -14.6863 -60.2966 -10.5284 -0.264499 -10.5282 -32.2123 GPRESSAVG: 2451800 108.707 -12.8686 1.99312 -16.5278 -60.2969 -11.2978 0.0670907 -11.9635 -32.9152 TIMING: 2451800 CPU: 7114.84, 0.0029206/step Wall: 7114.84, 0.0029206/step, 2.0673 hours remaining, 208.750000 MB of memory in use. ENERGY: 2451800 745.3786 2089.0551 1945.2628 114.1652 -206122.5735 17951.5401 0.0000 0.0000 34674.9717 -148602.2000 302.8252 -183277.1717 -148515.7350 301.3606 75.4411 113.0927 558317.4500 4.9814 5.1650 PRESSURE: 2452000 386.029 -13.8709 -264.546 -13.8709 -132.794 96.0356 -264.545 96.0349 137.243 GPRESSURE: 2452000 400.213 58.5981 -181.175 -25.6164 -73.2498 95.5572 -307.506 20.3107 149.11 PRESSAVG: 2452000 48.0225 -47.394 -7.06728 -47.394 -53.0946 51.5756 -7.06724 51.5756 7.789 GPRESSAVG: 2452000 46.8691 -48.8644 -7.60776 -43.9173 -52.9235 49.5526 -6.46009 53.4991 9.47137 TIMING: 2452000 CPU: 7115.42, 0.00290767/step Wall: 7115.42, 0.00290767/step, 2.05799 hours remaining, 208.750000 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: 2452000 709.8973 2122.9261 1961.1895 117.5577 -205911.7363 17800.6452 0.0000 0.0000 34562.9548 -148636.5658 301.8469 -183199.5206 -148528.8165 300.4911 130.1594 158.6910 557878.4813 0.9056 1.1390 PRESSURE: 2452200 82.4068 165.917 23.1549 165.919 47.265 -213.027 23.1546 -213.028 46.3552 GPRESSURE: 2452200 116.036 156.623 58.9262 92.4193 109.736 -126.044 -52.7093 -279.479 39.665 PRESSAVG: 2452200 5.72496 34.4281 -83.3262 34.4281 -16.3993 -27.1236 -83.3262 -27.1236 1.55654 GPRESSAVG: 2452200 5.62818 34.4222 -83.2997 32.418 -16.0876 -26.1266 -85.7983 -25.8117 1.30343 TIMING: 2452200 CPU: 7116, 0.00289086/step Wall: 7116, 0.00289086/step, 2.04592 hours remaining, 208.750000 MB of memory in use. ENERGY: 2452200 712.4395 2097.1658 1969.6528 119.3309 -205887.6128 17779.3143 0.0000 0.0000 34455.4203 -148754.2892 300.9078 -183209.7096 -148660.1355 300.5040 58.6757 88.4788 558240.1043 -3.0393 -3.0520 LDB: ============= START OF LOAD BALANCING ============== 7119.46 LDB: ============== END OF LOAD BALANCING =============== 7119.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7119.46 LDB: ============= START OF LOAD BALANCING ============== 7119.75 LDB: Largest compute 4821 load 0.033618 is 28.5% of average load 0.117845 LDB: Average compute 0.001711 is 1.5% of average load 0.117845 LDB: TIME 7119.75 LOAD: AVG 0.117845 MAX 0.178804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.246 MB LDB: TIME 7119.75 LOAD: AVG 0.117845 MAX 0.178804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 7119.75 LOAD: AVG 0.117845 MAX 0.178804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: ============== END OF LOAD BALANCING =============== 7119.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7119.76 PRESSURE: 2452400 -158.257 41.8304 -14.0073 41.8305 -6.33069 71.2777 -14.0056 71.2787 -317.283 GPRESSURE: 2452400 -117.181 -4.26839 -51.1479 109.661 22.2384 -3.79811 49.9021 118.659 -285.366 PRESSAVG: 2452400 35.0533 -21.0099 -18.4588 -21.0098 7.30753 -62.4453 -18.4589 -62.4453 -49.3882 GPRESSAVG: 2452400 35.8523 -20.1742 -21.2577 -22.1434 5.9555 -59.8574 -16.8803 -65.4729 -49.2253 TIMING: 2452400 CPU: 7116.58, 0.00294654/step Wall: 7116.58, 0.00294654/step, 2.08517 hours remaining, 206.507812 MB of memory in use. ENERGY: 2452400 742.9743 2086.3304 1976.6664 112.5212 -205670.5361 17526.9450 0.0000 0.0000 34512.7561 -148712.3427 301.4085 -183225.0987 -148618.4072 300.5701 -160.6238 -126.7696 557408.8669 -2.3425 -2.4725 PRESSURE: 2452600 44.8962 -73.9011 -129.938 -73.9017 -75.9944 -41.0432 -129.939 -41.0442 -122.518 GPRESSURE: 2452600 22.3642 -69.1206 -158.273 -6.52371 -41.4338 45.1387 -22.2737 -97.9842 -36.1681 PRESSAVG: 2452600 46.0155 9.16334 -22.7891 9.16343 -22.2715 -3.55434 -22.7892 -3.55441 4.40716 GPRESSAVG: 2452600 45.4129 10.5681 -20.7629 9.15507 -21.2689 -4.37673 -24.1582 -4.75579 4.03088 TIMING: 2452600 CPU: 7117.16, 0.00287247/step Wall: 7117.16, 0.00287247/step, 2.03259 hours remaining, 206.710938 MB of memory in use. ENERGY: 2452600 791.1539 2007.6093 1959.3998 104.3593 -205897.0742 17881.0886 0.0000 0.0000 34583.4342 -148570.0290 302.0257 -183153.4632 -148471.6492 300.5947 -51.2055 -18.4126 559038.4614 9.3837 9.3916 PRESSURE: 2452800 103.115 -66.3688 -127.498 -66.3681 215.148 97.2315 -127.499 97.2302 -184.078 GPRESSURE: 2452800 215.497 12.5427 -70.7469 -65.1787 220.605 122.295 -167.788 33.3393 -195.017 PRESSAVG: 2452800 -25.2796 22.3209 -11.7062 22.321 -74.0848 0.832636 -11.7062 0.832507 56.0316 GPRESSAVG: 2452800 -25.5782 20.8233 -13.3424 24.1989 -73.8837 1.41083 -11.4832 1.82715 56.3143 TIMING: 2452800 CPU: 7117.74, 0.00290436/step Wall: 7117.74, 0.00290436/step, 2.05499 hours remaining, 206.910156 MB of memory in use. ENERGY: 2452800 695.9364 2005.1599 1974.0728 125.0878 -205579.3274 17711.6800 0.0000 0.0000 34554.9791 -148512.4113 301.7772 -183067.3904 -148412.0941 300.2781 44.7284 80.3617 558089.3396 -14.4442 -14.3825 PRESSURE: 2453000 -130.804 187.811 -24.6053 187.812 -102.464 -103.95 -24.6041 -103.95 -89.7554 GPRESSURE: 2453000 -86.7991 176.623 -53.1385 157.473 -62.8078 -90.52 -21.1839 -99.8728 -66.3413 PRESSAVG: 2453000 1.20296 6.60382 7.28103 6.60382 -40.544 41.1819 7.28105 41.1819 43.5905 GPRESSAVG: 2453000 1.6559 6.95186 9.43648 6.22932 -40.4319 38.4221 6.54906 42.4585 43.1113 TIMING: 2453000 CPU: 7118.32, 0.00289066/step Wall: 7118.32, 0.00289066/step, 2.04514 hours remaining, 206.910156 MB of memory in use. ENERGY: 2453000 762.1400 2055.3934 1958.2118 111.4809 -205430.1742 17574.7104 0.0000 0.0000 34360.8996 -148607.3382 300.0823 -182968.2378 -148513.5322 300.6263 -107.6745 -71.9827 558344.0688 1.4165 1.4451 PRESSURE: 2453200 -74.3852 -88.6935 -50.5394 -88.6923 -28.3413 160.029 -50.5399 160.029 -356.099 GPRESSURE: 2453200 -72.2299 -87.3936 -57.054 -113.188 19.0728 127.669 -18.1279 219.938 -305.618 PRESSAVG: 2453200 -6.37367 6.03948 12.2857 6.03948 -34.3607 -46.3078 12.2857 -46.3078 24.1972 GPRESSAVG: 2453200 -4.82675 5.30816 11.4258 5.06611 -35.2182 -46.0093 15.5817 -46.9823 24.1941 TIMING: 2453200 CPU: 7118.9, 0.0029075/step Wall: 7118.9, 0.0029075/step, 2.05689 hours remaining, 206.910156 MB of memory in use. ENERGY: 2453200 729.9361 2087.7540 1964.9559 114.7387 -205849.1316 17576.5621 0.0000 0.0000 34567.3474 -148807.8374 301.8852 -183375.1848 -148706.3520 301.1312 -152.9418 -119.5918 558304.2411 -5.5124 -5.2836 PRESSURE: 2453400 208.976 -88.9996 95.7089 -88.9985 -148.98 41.5909 95.7099 41.5911 -116.359 GPRESSURE: 2453400 265.373 -2.07305 104.796 -159.539 -107.186 9.85581 133.545 87.0165 -121.209 PRESSAVG: 2453400 -6.02389 5.36909 20.1239 5.36911 12.0275 25.6633 20.1239 25.6633 28.5501 GPRESSAVG: 2453400 -7.25128 4.20388 19.5703 6.03294 13.2473 26.909 19.3018 25.071 28.6721 TIMING: 2453400 CPU: 7119.48, 0.00290426/step Wall: 7119.48, 0.00290426/step, 2.05444 hours remaining, 206.910156 MB of memory in use. ENERGY: 2453400 772.5145 2058.6920 1968.2386 113.3029 -205735.8019 17705.3443 0.0000 0.0000 34262.9832 -148854.7264 299.2272 -183117.7096 -148759.9446 301.0532 -18.7875 12.3259 558709.6264 11.5179 11.5561 PRESSURE: 2453600 -95.9129 29.1509 -46.2424 29.1505 188.387 140.592 -46.2427 140.591 -101.704 GPRESSURE: 2453600 -32.9886 19.8023 -89.1894 73.2507 238.404 167.077 -122.553 75.0909 -118.869 PRESSAVG: 2453600 50.8259 2.66381 38.5923 2.66387 4.42386 23.605 38.5922 23.605 -47.3595 GPRESSAVG: 2453600 50.9336 5.27713 38.4088 3.91055 4.90871 21.9905 37.8791 25.6188 -47.7309 TIMING: 2453600 CPU: 7120.06, 0.00289877/step Wall: 7120.06, 0.00289877/step, 2.0504 hours remaining, 206.910156 MB of memory in use. ENERGY: 2453600 764.8312 2028.5801 1967.1461 118.5723 -205924.0495 17778.0711 0.0000 0.0000 34348.8835 -148917.9652 299.9773 -183266.8487 -148815.8664 300.1755 -3.0766 28.8488 559062.7329 2.6301 2.7038 PRESSURE: 2453800 -22.7667 -93.6211 73.9372 -93.6215 -239.568 101.062 73.9365 101.061 -131.286 GPRESSURE: 2453800 58.8228 -30.898 46.7365 -154.384 -225.369 34.76 4.95681 183.114 -109.54 PRESSAVG: 2453800 7.61958 11.3475 1.89958 11.3475 31.7887 -5.51729 1.8996 -5.51724 -46.718 GPRESSAVG: 2453800 9.19356 10.2095 4.25861 10.959 29.4853 -5.20805 2.07341 -5.75096 -45.4524 TIMING: 2453800 CPU: 7120.64, 0.00291081/step Wall: 7120.64, 0.00291081/step, 2.05875 hours remaining, 206.910156 MB of memory in use. ENERGY: 2453800 725.5266 2054.7786 1949.4663 99.8596 -205713.4719 17487.6510 0.0000 0.0000 34291.7639 -149104.4259 299.4785 -183396.1899 -149004.8531 300.0202 -131.2069 -92.0285 557192.5440 -2.4366 -2.2578 PRESSURE: 2454000 223.896 -70.6967 21.9678 -70.6949 57.0672 129.804 21.9694 129.804 -60.9721 GPRESSURE: 2454000 267.387 -22.1282 25.219 -144.29 73.0282 144.348 -45.0582 149.131 -13.804 PRESSAVG: 2454000 31.4609 -21.9997 -4.73668 -21.9998 4.78815 24.377 -4.73666 24.3771 -59.4807 GPRESSAVG: 2454000 30.8242 -23.092 -5.16364 -22.1048 5.61744 26.0626 -5.28214 22.4536 -60.2842 TIMING: 2454000 CPU: 7121.22, 0.0029028/step Wall: 7121.22, 0.0029028/step, 2.05292 hours remaining, 206.910156 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: 2454000 743.0139 2093.2541 2007.9200 117.0076 -206330.8108 17931.7344 0.0000 0.0000 34294.2851 -149143.5958 299.5005 -183437.8809 -149046.5207 299.6134 73.3303 108.8704 556703.4930 -7.7439 -7.9475 PRESSURE: 2454200 24.0961 1.97916 65.5601 1.97892 385.027 0.718337 65.5597 0.71809 -78.2905 GPRESSURE: 2454200 51.4154 -18.7004 139.971 4.15267 407.182 -62.8171 92.6272 50.0457 -34.1176 PRESSAVG: 2454200 47.5678 9.78201 18.0517 9.782 -24.4196 7.05105 18.0518 7.05114 36.2785 GPRESSAVG: 2454200 46.0357 14.4477 16.591 7.70712 -24.5444 5.6772 20.3933 8.18667 37.744 TIMING: 2454200 CPU: 7121.8, 0.00289771/step Wall: 7121.8, 0.00289771/step, 2.04916 hours remaining, 206.910156 MB of memory in use. ENERGY: 2454200 731.8999 2098.0773 1962.9470 121.7186 -206464.4327 18084.1448 0.0000 0.0000 34411.6784 -149053.9667 300.5257 -183465.6451 -148954.7349 299.6015 110.2775 141.4933 557347.0327 19.8089 19.7451 PRESSURE: 2454400 60.543 -13.2151 12.0599 -13.2167 -64.3654 144.452 12.0601 144.453 41.6958 GPRESSURE: 2454400 74.1957 -77.6141 20.8218 74.3082 -47.2097 181.625 94.1347 23.1213 117.717 PRESSAVG: 2454400 20.0724 -59.2467 -8.96703 -59.2467 -67.5232 18.2584 -8.96705 18.2584 46.2879 GPRESSAVG: 2454400 20.5469 -62.9365 -8.11977 -58.0425 -67.54 18.8399 -10.8351 17.3672 45.5387 TIMING: 2454400 CPU: 7122.38, 0.00289471/step Wall: 7122.38, 0.00289471/step, 2.04688 hours remaining, 206.910156 MB of memory in use. ENERGY: 2454400 756.4470 2076.1112 1956.1511 123.0390 -206158.2738 17961.9199 0.0000 0.0000 34196.5789 -149088.0266 298.6472 -183284.6055 -148997.1884 299.7478 12.6245 48.2343 558026.6842 -0.3876 -0.4848 PRESSURE: 2454600 6.20622 -15.1486 -136.618 -15.1495 -136.845 -99.3747 -136.618 -99.375 89.2619 GPRESSURE: 2454600 15.4321 -65.8187 -154.174 3.09095 -94.3525 -242.726 -203.316 -25.8567 131.355 PRESSAVG: 2454600 -37.0273 18.2533 2.36654 18.2533 3.03375 25.0459 2.36639 25.046 42.2453 GPRESSAVG: 2454600 -37.4851 19.3045 1.19614 18.6906 2.82194 24.2526 3.70908 26.5175 42.6138 TIMING: 2454600 CPU: 7122.96, 0.0028949/step Wall: 7122.96, 0.0028949/step, 2.04685 hours remaining, 206.910156 MB of memory in use. ENERGY: 2454600 751.3884 2079.7785 1955.3443 119.8570 -206117.0600 17757.4156 0.0000 0.0000 34448.7959 -149004.4802 300.8499 -183453.2761 -148910.0612 299.4964 -13.7924 17.4781 556918.9350 2.7506 2.6502 PRESSURE: 2454800 -198.693 132.721 -12.5769 132.722 -323.457 -45.4657 -12.5772 -45.467 -127.027 GPRESSURE: 2454800 -200.79 111.018 -30.9067 175.48 -263.33 8.02431 7.61931 -78.5085 -84.731 PRESSAVG: 2454800 -33.0991 -31.8287 -15.1989 -31.8287 -8.85666 -23.4606 -15.1989 -23.4605 85.3351 GPRESSAVG: 2454800 -33.286 -30.8841 -13.75 -30.8568 -7.69188 -24.1444 -16.8622 -25.0002 84.1552 TIMING: 2454800 CPU: 7123.54, 0.00289251/step Wall: 7123.54, 0.00289251/step, 2.04501 hours remaining, 206.910156 MB of memory in use. ENERGY: 2454800 734.2364 2053.1820 1978.0473 133.9507 -206060.3581 17513.0673 0.0000 0.0000 34573.3040 -149074.5704 301.9373 -183647.8744 -148976.8774 300.3505 -216.3925 -182.9505 557077.9613 14.4598 14.3924 PRESSURE: 2455000 -173.906 -62.939 -107.701 -62.9401 -263.429 21.8847 -107.702 21.8835 -306.378 GPRESSURE: 2455000 -161.679 -96.3837 -27.6503 -72.8903 -220.663 -11.5551 -132.053 50.9119 -257.667 PRESSAVG: 2455000 29.0082 -33.1673 -42.4257 -33.1674 -7.35222 -17.5011 -42.4257 -17.5011 -20.162 GPRESSAVG: 2455000 28.8451 -33.7544 -42.2014 -36.6763 -6.98417 -17.8722 -42.5392 -18.2122 -19.8095 TIMING: 2455000 CPU: 7124.12, 0.00289829/step Wall: 7124.12, 0.00289829/step, 2.04893 hours remaining, 206.910156 MB of memory in use. ENERGY: 2455000 751.9111 2077.3274 1957.4168 115.7363 -205744.5891 17541.2330 0.0000 0.0000 34354.9167 -148946.0478 300.0300 -183300.9645 -148850.4258 300.7354 -247.9041 -213.3364 558814.8645 0.4980 0.6838 PRESSURE: 2455200 -128.534 -9.32598 -132.18 -9.32557 -184.64 20.8032 -132.179 20.8031 -17.1116 GPRESSURE: 2455200 -20.2715 -73.2482 -223.42 5.40628 -200.229 56.5543 -84.797 -10.5256 -8.54067 PRESSAVG: 2455200 -19.4906 -15.3464 -73.0808 -15.3465 -12.9023 -17.3318 -73.0808 -17.3319 23.1988 GPRESSAVG: 2455200 -19.3399 -14.7168 -73.0244 -14.4253 -13.4013 -14.8325 -72.3369 -16.3586 23.1146 TIMING: 2455200 CPU: 7124.7, 0.00289377/step Wall: 7124.7, 0.00289377/step, 2.04558 hours remaining, 206.910156 MB of memory in use. ENERGY: 2455200 750.2352 2124.2640 1982.6611 125.5285 -206044.2255 17697.1358 0.0000 0.0000 34550.7669 -148813.6340 301.7404 -183364.4008 -148717.3284 300.7778 -110.0952 -76.3472 558092.9444 -3.0647 -3.2089 PRESSURE: 2455400 -46.8217 -88.9156 112.398 -88.9154 112.868 68.5241 112.398 68.5236 -174.126 GPRESSURE: 2455400 -6.50653 -132.641 54.5801 -98.4279 138.273 55.2215 140.05 35.7152 -136.085 PRESSAVG: 2455400 -6.84334 -38.6581 9.91019 -38.6582 4.30583 34.3777 9.91017 34.3778 -0.142816 GPRESSAVG: 2455400 -6.84298 -39.7265 11.5282 -38.8562 3.9404 33.8645 8.40531 35.8051 0.140992 TIMING: 2455400 CPU: 7125.27, 0.00288793/step Wall: 7125.27, 0.00288793/step, 2.04128 hours remaining, 206.910156 MB of memory in use. ENERGY: 2455400 741.3121 2076.3500 1958.6458 101.6166 -205767.2932 17765.9743 0.0000 0.0000 34154.8981 -148968.4963 298.2832 -183123.3943 -148877.6790 299.4395 -36.0264 -1.4395 559039.7437 -0.8934 -0.9205 PRESSURE: 2455600 -364.562 -0.363337 -71.6511 -0.363832 -131.845 143.927 -71.6515 143.928 122.141 GPRESSURE: 2455600 -260.676 -102.682 -131.857 53.7618 -121.161 135.384 -10.5734 110.895 110.51 PRESSAVG: 2455600 14.2972 27.9506 -49.9799 27.9507 -25.6492 37.7523 -49.9798 37.7524 55.0223 GPRESSAVG: 2455600 14.3575 28.3212 -52.0699 29.9544 -25.0929 38.3864 -48.3409 35.9375 54.4238 TIMING: 2455600 CPU: 7125.85, 0.00288471/step Wall: 7125.85, 0.00288471/step, 2.03885 hours remaining, 206.910156 MB of memory in use. ENERGY: 2455600 741.7567 2066.7263 1964.5564 126.9433 -205752.2561 17626.6975 0.0000 0.0000 34230.4000 -148995.1759 298.9426 -183225.5758 -148896.6713 300.0631 -124.7554 -90.4422 559365.1193 14.5568 14.5628 PRESSURE: 2455800 -57.707 -191.595 81.6578 -191.596 -79.6762 -94.6745 81.657 -94.6745 135.225 GPRESSURE: 2455800 -21.7909 -172.785 71.4653 -179.765 -48.6476 -142.316 70.6576 -96.5339 154.027 PRESSAVG: 2455800 -8.1357 28.4202 -12.9734 28.4203 -62.6419 -34.7713 -12.9734 -34.7713 119.793 GPRESSAVG: 2455800 -8.38037 29.0724 -15.0652 26.6174 -63.7102 -35.5838 -12.9686 -34.3523 120.349 TIMING: 2455800 CPU: 7126.43, 0.00288832/step Wall: 7126.43, 0.00288832/step, 2.04124 hours remaining, 206.910156 MB of memory in use. ENERGY: 2455800 695.3840 2105.0205 1940.7685 104.2334 -205878.8796 17667.0390 0.0000 0.0000 34195.8486 -149170.5856 298.6409 -183366.4341 -149073.8320 299.3119 -0.7193 27.8628 557610.8730 16.3385 16.0862 PRESSURE: 2456000 -98.5083 80.1864 -183.876 80.1855 45.9524 -6.93924 -183.877 -6.94068 79.4857 GPRESSURE: 2456000 -72.7101 111.672 -190.932 40.7 157.293 -22.4948 -185.734 -16.6316 47.2647 PRESSAVG: 2456000 41.9554 -15.1952 19.0048 -15.1952 -33.4078 -22.2183 19.0049 -22.2183 -16.5632 GPRESSAVG: 2456000 42.5748 -15.196 20.6932 -14.1432 -32.6211 -20.9933 19.0425 -22.0032 -17.609 TIMING: 2456000 CPU: 7127.01, 0.00288522/step Wall: 7127.01, 0.00288522/step, 2.03889 hours remaining, 206.910156 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: 2456000 715.2874 2109.0118 1939.0913 114.6895 -206236.8830 17849.9783 0.0000 0.0000 34242.7256 -149266.0992 299.0502 -183508.8248 -149170.8126 299.0032 8.9766 43.9491 557170.6472 -2.6719 -2.5518 PRESSURE: 2456200 94.3928 56.2452 -81.9423 56.2463 -183.866 57.5815 -81.9413 57.5827 -155.224 GPRESSURE: 2456200 127.439 121.958 -144.504 12.0667 -115.553 64.4332 -27.2098 -24.902 -155.198 PRESSAVG: 2456200 38.699 50.943 -18.8028 50.943 -64.6394 28.5933 -18.8027 28.5933 -9.75857 GPRESSAVG: 2456200 39.4719 49.4052 -20.0645 52.7209 -65.4293 27.6845 -19.3061 27.1398 -10.0783 TIMING: 2456200 CPU: 7127.58, 0.00288707/step Wall: 7127.58, 0.00288707/step, 2.04004 hours remaining, 206.910156 MB of memory in use. ENERGY: 2456200 747.9586 2051.1551 1972.9465 111.9120 -205859.5528 17659.0977 0.0000 0.0000 34152.0326 -149164.4504 298.2582 -183316.4830 -149065.9209 299.3788 -81.5657 -47.7705 556829.9941 -11.8997 -12.0119 LDB: ============= START OF LOAD BALANCING ============== 7131.05 LDB: ============== END OF LOAD BALANCING =============== 7131.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7131.05 LDB: ============= START OF LOAD BALANCING ============== 7131.34 LDB: Largest compute 4821 load 0.033714 is 28.6% of average load 0.117812 LDB: Average compute 0.001717 is 1.5% of average load 0.117812 LDB: TIME 7131.34 LOAD: AVG 0.117812 MAX 0.178269 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 7131.34 LOAD: AVG 0.117812 MAX 0.178269 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.375 MB LDB: TIME 7131.34 LOAD: AVG 0.117812 MAX 0.178269 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7131.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7131.35 PRESSURE: 2456400 -69.2108 -91.8575 -164.694 -91.8556 2.57014 31.711 -164.693 31.7112 -155.838 GPRESSURE: 2456400 -70.3296 -15.1018 -128.714 -113.795 72.6292 58.2251 -111.925 51.606 -123.395 PRESSAVG: 2456400 -46.2345 -51.0276 33.5429 -51.0275 41.357 20.3424 33.5429 20.3424 2.9261 GPRESSAVG: 2456400 -47.1988 -48.8454 34.6425 -53.3313 42.3402 18.756 33.639 21.4488 2.28994 TIMING: 2456400 CPU: 7128.18, 0.00295677/step Wall: 7128.18, 0.00295677/step, 2.08912 hours remaining, 205.878906 MB of memory in use. ENERGY: 2456400 759.9187 2091.4182 1957.9017 105.0585 -205807.8989 17538.3073 0.0000 0.0000 34232.4769 -149122.8175 298.9607 -183355.2945 -149021.5859 299.1876 -74.1595 -40.3650 557029.5204 -0.6505 -0.8562 PRESSURE: 2456600 -283.875 4.24851 131.177 4.2481 -237.354 -36.8388 131.176 -36.8392 -31.7937 GPRESSURE: 2456600 -258.153 23.1994 134.649 -48.7721 -164.123 -116.373 110.985 50.0633 -23.5833 PRESSAVG: 2456600 9.06887 -1.71443 -32.5924 -1.71447 -2.79722 -14.3279 -32.5924 -14.3278 34.8117 GPRESSAVG: 2456600 8.31002 -2.47602 -32.1808 -0.403139 -2.10308 -15.1499 -34.5501 -13.0516 34.8766 TIMING: 2456600 CPU: 7128.76, 0.00291203/step Wall: 7128.76, 0.00291203/step, 2.05735 hours remaining, 206.082031 MB of memory in use. ENERGY: 2456600 786.2294 2067.2013 1961.9703 115.8111 -205763.4857 17534.1137 0.0000 0.0000 34478.5616 -148819.5981 301.1099 -183298.1597 -148732.2943 300.6029 -184.3407 -148.6199 557463.9370 13.6944 13.6945 PRESSURE: 2456800 -292.861 -219.797 -99.6637 -219.798 -98.4585 73.1898 -99.6643 73.1897 3.94489 GPRESSURE: 2456800 -206.448 -212.052 -75.713 -222.109 -169.543 75.4239 -142.798 84.8766 72.9194 PRESSAVG: 2456800 -14.2181 -40.4975 -62.5161 -40.4975 -51.2243 -25.1347 -62.5161 -25.1346 84.607 GPRESSAVG: 2456800 -12.7708 -40.2987 -61.0674 -40.7821 -53.3962 -23.6206 -62.1962 -28.5918 85.7557 TIMING: 2456800 CPU: 7129.34, 0.00289114/step Wall: 7129.34, 0.00289114/step, 2.04243 hours remaining, 206.082031 MB of memory in use. ENERGY: 2456800 763.0460 2140.7487 1932.9206 121.6771 -205552.1250 17427.5257 0.0000 0.0000 34297.3079 -148868.8991 299.5269 -183166.2070 -148770.9547 299.9879 -129.1249 -101.0236 557740.3698 6.3882 6.5296 PRESSURE: 2457000 65.2113 24.217 -43.3763 24.2166 78.186 38.9986 -43.3759 38.9998 57.1596 GPRESSURE: 2457000 194.637 24.7442 52.354 -0.48527 39.3184 29.51 -47.1883 13.6416 51.4394 PRESSAVG: 2457000 63.8006 46.9312 -17.2576 46.9312 -14.1564 11.9081 -17.2575 11.9081 -77.9467 GPRESSAVG: 2457000 63.933 45.0765 -17.6753 46.2161 -14.401 12.2448 -15.9102 12.3946 -78.3511 TIMING: 2457000 CPU: 7129.91, 0.00288829/step Wall: 7129.91, 0.00288829/step, 2.04025 hours remaining, 206.152344 MB of memory in use. ENERGY: 2457000 742.4489 2133.0349 1978.0222 123.0705 -205738.4237 17706.7465 0.0000 0.0000 34200.8727 -148854.2281 298.6847 -183055.1008 -148764.1338 299.4149 66.8523 95.1317 557745.5429 -9.4342 -9.6064 PRESSURE: 2457200 20.3991 -5.43772 22.6513 -5.43735 -16.1117 -61.1091 22.6516 -61.1093 3.09693 GPRESSURE: 2457200 74.8447 -169.823 67.9648 25.5575 -13.0409 -24.2655 11.954 -77.3276 49.6448 PRESSAVG: 2457200 -12.0358 6.16011 55.8143 6.16008 4.64301 -27.6522 55.8142 -27.6521 -29.8374 GPRESSAVG: 2457200 -13.998 5.86951 55.5932 5.81999 6.54464 -28.0843 54.2744 -26.9072 -29.675 TIMING: 2457200 CPU: 7130.49, 0.00290007/step Wall: 7130.49, 0.00290007/step, 2.04842 hours remaining, 206.152344 MB of memory in use. ENERGY: 2457200 738.2005 2090.8255 1984.0121 111.5605 -205821.0038 17797.6523 0.0000 0.0000 34197.4733 -148901.2797 298.6550 -183098.7530 -148809.9499 300.1044 2.4614 37.1495 558399.0314 -12.4101 -12.3761 PRESSURE: 2457400 -106.599 -18.1066 66.1225 -18.1063 -226.041 -31.3194 66.1219 -31.3198 163.946 GPRESSURE: 2457400 -96.8332 11.41 -12.815 -33.8027 -137.116 109.582 57.5884 -31.6681 153.658 PRESSAVG: 2457400 17.4911 -2.7118 -57.592 -2.71184 -54.9624 -17.0396 -57.592 -17.0395 19.6216 GPRESSAVG: 2457400 17.6614 0.0556098 -58.4991 -2.97852 -54.6861 -14.6524 -57.458 -16.7879 18.7344 TIMING: 2457400 CPU: 7131.07, 0.00289512/step Wall: 7131.07, 0.00289512/step, 2.04476 hours remaining, 206.152344 MB of memory in use. ENERGY: 2457400 750.3677 2077.1161 1975.6923 135.6020 -206143.1595 17755.0191 0.0000 0.0000 34458.7650 -148990.5973 300.9370 -183449.3623 -148891.8344 299.9748 -56.2317 -26.7639 558966.4256 -5.9499 -6.0968 PRESSURE: 2457600 -331.833 -47.7084 112.275 -47.7063 -204.059 -74.2916 112.276 -74.2921 -60.5093 GPRESSURE: 2457600 -344.265 -26.7846 150.788 -44.4201 -150.617 -78.6168 115.466 -52.8533 -8.79686 PRESSAVG: 2457600 37.2173 -17.2268 18.5003 -17.2267 -33.2347 33.5371 18.5003 33.5371 23.1342 GPRESSAVG: 2457600 36.8042 -18.9589 19.4348 -15.3702 -33.764 32.4962 19.6809 33.2295 24.0436 TIMING: 2457600 CPU: 7131.65, 0.00289193/step Wall: 7131.65, 0.00289193/step, 2.04234 hours remaining, 206.152344 MB of memory in use. ENERGY: 2457600 756.4660 2143.8736 1973.7827 112.1832 -205907.8684 17646.8742 0.0000 0.0000 34293.2037 -148981.4849 299.4911 -183274.6886 -148887.5310 299.5021 -198.8002 -167.8928 559545.1920 9.0389 9.0279 PRESSURE: 2457800 275.717 50.5712 -145.197 50.5724 -65.796 -19.1337 -145.198 -19.1342 -75.1153 GPRESSURE: 2457800 272.245 125.307 -126.39 44.2083 -38.7501 -19.7734 -248.526 51.517 -0.89452 PRESSAVG: 2457800 -18.6831 -0.886884 23.3947 -0.886891 18.3312 59.9148 23.3947 59.9149 -16.9161 GPRESSAVG: 2457800 -18.0109 -0.45542 23.2002 -0.699203 17.5914 59.5448 22.1169 61.7668 -17.0722 TIMING: 2457800 CPU: 7132.23, 0.00290196/step Wall: 7132.23, 0.00290196/step, 2.04927 hours remaining, 206.152344 MB of memory in use. ENERGY: 2457800 779.4130 2066.1330 1965.2144 112.4873 -206196.7363 17901.2519 0.0000 0.0000 34395.1121 -148977.1246 300.3811 -183372.2367 -148880.9760 299.8853 44.9352 77.5335 558665.4849 -5.7560 -5.8306 PRESSURE: 2458000 -19.0651 74.4106 -114.522 74.4101 104.468 6.25532 -114.522 6.25662 417.141 GPRESSURE: 2458000 69.0735 92.7463 -110.887 -15.4663 127.445 5.0521 11.6898 62.5132 407.881 PRESSAVG: 2458000 -13.6663 7.9479 -32.4043 7.94777 -12.2655 46.1356 -32.4043 46.1356 -10.2223 GPRESSAVG: 2458000 -13.2684 6.86768 -33.5223 4.52419 -12.8819 47.3083 -29.6933 43.5406 -10.2341 TIMING: 2458000 CPU: 7132.81, 0.00288988/step Wall: 7132.81, 0.00288988/step, 2.04058 hours remaining, 206.152344 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: 2458000 756.9000 2047.3496 1991.2079 111.9026 -206064.6971 17890.3050 0.0000 0.0000 34384.6636 -148882.3684 300.2898 -183267.0320 -148785.4188 299.9615 167.5144 201.4664 557318.9341 -12.0514 -12.1282 PRESSURE: 2458200 154.876 28.2474 6.88022 28.2471 -18.4635 145.546 6.8808 145.546 182.958 GPRESSURE: 2458200 138.994 86.4215 -26.517 21.8495 32.5735 183.263 -9.64667 105.767 245.365 PRESSAVG: 2458200 -33.1917 35.6333 -27.664 35.6334 -25.075 11.1826 -27.6639 11.1825 34.2317 GPRESSAVG: 2458200 -34.261 35.6565 -26.1715 38.5897 -24.1424 9.56131 -29.8155 11.5085 34.354 TIMING: 2458200 CPU: 7133.39, 0.00289641/step Wall: 7133.39, 0.00289641/step, 2.04502 hours remaining, 206.152344 MB of memory in use. ENERGY: 2458200 771.5740 2099.3930 1939.2871 109.9553 -206082.6703 17978.9065 0.0000 0.0000 34268.0042 -148915.5502 299.2710 -183183.5544 -148822.8313 300.0937 106.4566 138.9774 557959.8672 -8.0116 -8.0164 PRESSURE: 2458400 -92.7123 46.6331 38.883 46.6323 -44.6064 -41.638 38.8825 -41.6387 -106.436 GPRESSURE: 2458400 -49.8294 31.4035 63.6161 72.9931 -23.5915 -76.969 94.6227 45.0844 -63.0862 PRESSAVG: 2458400 4.95888 42.9527 -32.7131 42.9528 -0.979222 31.1 -32.713 31.1 35.1375 GPRESSAVG: 2458400 4.56145 43.9001 -32.4854 40.7346 -0.291025 31.6923 -33.414 29.7985 35.3053 TIMING: 2458400 CPU: 7133.97, 0.00288942/step Wall: 7133.97, 0.00288942/step, 2.03993 hours remaining, 206.152344 MB of memory in use. ENERGY: 2458400 779.9409 2113.4009 1972.9540 113.5658 -205974.0899 17651.2358 0.0000 0.0000 34351.8326 -148991.1599 300.0031 -183342.9925 -148897.2129 299.5257 -81.2515 -45.5024 556742.2266 13.0391 13.1919 PRESSURE: 2458600 109.601 171.292 -126.402 171.293 280.043 26.6696 -126.401 26.6718 -128.817 GPRESSURE: 2458600 125.207 142.167 -31.2148 125.411 318.649 -18.6721 -119.301 -8.12229 -85.2818 PRESSAVG: 2458600 -36.2142 22.8758 -3.05789 22.8759 99.239 -28.3668 -3.05786 -28.3667 -31.778 GPRESSAVG: 2458600 -35.4441 23.4163 -1.38881 25.2339 98.2638 -29.7566 -1.68581 -26.6556 -30.9657 TIMING: 2458600 CPU: 7134.55, 0.00289405/step Wall: 7134.55, 0.00289405/step, 2.04304 hours remaining, 206.152344 MB of memory in use. ENERGY: 2458600 741.2599 2019.7425 1973.5617 107.9932 -205825.2074 17695.1670 0.0000 0.0000 34282.9616 -149004.5215 299.4016 -183287.4831 -148908.4510 300.5486 86.9424 119.5251 556582.8981 10.4156 10.6180 PRESSURE: 2458800 83.0569 54.1604 161.965 54.1612 -92.9233 74.4389 161.966 74.4399 -131.836 GPRESSURE: 2458800 91.2516 41.5392 197.55 8.86907 -50.4403 -3.31833 87.3689 106.927 -70.5047 PRESSAVG: 2458800 -1.55704 0.851395 -22.6275 0.851508 -21.8311 -42.1889 -22.6275 -42.1889 38.8841 GPRESSAVG: 2458800 -1.58712 0.0687937 -24.7813 0.14307 -21.8352 -42.9385 -24.0757 -42.6671 38.4714 TIMING: 2458800 CPU: 7135.12, 0.00288269/step Wall: 7135.12, 0.00288269/step, 2.03486 hours remaining, 206.152344 MB of memory in use. ENERGY: 2458800 716.4045 2110.2583 1952.7746 108.3573 -205730.1020 17519.3962 0.0000 0.0000 34314.1397 -149008.7713 299.6739 -183322.9111 -148905.5691 299.8205 -47.2342 -9.8978 556303.2046 5.1653 5.0163 PRESSURE: 2459000 0.936861 -19.1455 198.705 -19.1459 -15.9602 132.336 198.705 132.336 21.9934 GPRESSURE: 2459000 68.1353 -47.1278 252.053 13.4022 -52.2827 211.614 112.228 145.421 82.9373 PRESSAVG: 2459000 -69.2921 -5.82973 10.0813 -5.82977 -32.2368 13.3967 10.0813 13.3967 77.3568 GPRESSAVG: 2459000 -68.4255 -8.16865 10.455 -6.14554 -31.9638 16.4482 9.2764 13.5246 76.393 TIMING: 2459000 CPU: 7135.7, 0.00288045/step Wall: 7135.7, 0.00288045/step, 2.03312 hours remaining, 206.152344 MB of memory in use. ENERGY: 2459000 739.0619 2109.8965 1954.7085 108.9283 -205945.9101 17789.4084 0.0000 0.0000 34228.7240 -149015.1825 298.9280 -183243.9065 -148920.2487 299.3644 2.3233 32.9300 559409.0850 -8.0574 -7.9988 PRESSURE: 2459200 -79.302 98.1865 -45.0773 98.1861 -117.922 90.0527 -45.0762 90.0528 -132.916 GPRESSURE: 2459200 30.8218 116.571 6.73991 63.9218 -118.303 72.8048 -87.5704 91.0971 -149.406 PRESSAVG: 2459200 -8.83022 10.2832 -41.8236 10.2833 -36.9822 9.88238 -41.8235 9.88238 101.846 GPRESSAVG: 2459200 -9.82866 11.2885 -42.8049 9.85165 -35.4755 7.94625 -39.8378 7.99659 101.54 TIMING: 2459200 CPU: 7136.28, 0.0028903/step Wall: 7136.28, 0.0028903/step, 2.03991 hours remaining, 206.152344 MB of memory in use. ENERGY: 2459200 717.0322 2113.7149 1969.4275 110.5811 -205772.2167 17506.9523 0.0000 0.0000 34319.9912 -149034.5174 299.7250 -183354.5086 -148936.1783 299.8735 -110.0467 -78.9626 559012.4648 18.6777 18.7451 PRESSURE: 2459400 -146.47 88.3859 -60.9452 88.3856 -13.4487 74.0018 -60.9459 74.0019 -283.877 GPRESSURE: 2459400 -106.645 123.479 18.0711 102.905 32.1855 96.3648 -44.4496 123.419 -273.273 PRESSAVG: 2459400 85.2687 -26.7186 22.5535 -26.7185 -5.2662 74.9184 22.5535 74.9184 -48.1395 GPRESSAVG: 2459400 84.8218 -24.4167 22.2734 -28.1297 -5.36517 75.9482 22.1484 75.5797 -47.4375 TIMING: 2459400 CPU: 7136.85, 0.00289184/step Wall: 7136.85, 0.00289184/step, 2.04084 hours remaining, 206.152344 MB of memory in use. ENERGY: 2459400 756.2298 2048.3879 1960.7169 105.2008 -206132.8593 17795.5348 0.0000 0.0000 34345.7025 -149121.0867 299.9496 -183466.7892 -149017.9278 299.5118 -147.9317 -115.9107 558808.0555 10.6210 10.6730 PRESSURE: 2459600 68.5294 241.57 22.5461 241.569 147.167 117.655 22.5463 117.654 105.896 GPRESSURE: 2459600 150.051 278.394 80.4965 247.694 166.094 114.736 -20.1545 128.672 101.256 PRESSAVG: 2459600 -47.7076 31.6243 11.7996 31.6242 99.1759 36.8275 11.7995 36.8275 -30.8707 GPRESSAVG: 2459600 -48.3975 28.33 11.4344 33.9632 98.9915 35.415 10.6089 36.3721 -30.3653 TIMING: 2459600 CPU: 7137.43, 0.00287656/step Wall: 7137.43, 0.00287656/step, 2.02989 hours remaining, 206.152344 MB of memory in use. ENERGY: 2459600 713.8060 2093.7453 1979.5677 106.7410 -206771.4877 18121.4344 0.0000 0.0000 34504.5413 -149251.6520 301.3367 -183756.1933 -149153.5719 299.0355 107.1975 139.1337 556995.6934 6.8659 6.7429 PRESSURE: 2459800 -18.8436 -24.1769 21.3497 -24.1773 1.29786 -72.8841 21.3504 -72.8835 -74.8886 GPRESSURE: 2459800 21.7854 -108.292 36.8068 56.7313 25.3019 -38.4126 39.5665 -76.7943 -46.3896 PRESSAVG: 2459800 33.094 -18.7944 29.3557 -18.7944 26.9184 22.801 29.3555 22.8009 -14.2139 GPRESSAVG: 2459800 33.1671 -19.186 30.2502 -17.7432 26.8331 24.4037 28.7484 24.0823 -13.64 TIMING: 2459800 CPU: 7138, 0.00287073/step Wall: 7138, 0.00287073/step, 2.02562 hours remaining, 206.152344 MB of memory in use. ENERGY: 2459800 769.6269 2110.2387 1990.0297 101.1859 -206363.2568 17905.3326 0.0000 0.0000 33996.5117 -149490.3313 296.9000 -183486.8430 -149398.7417 298.8065 -30.8114 0.2326 557949.0644 15.2662 15.4534 PRESSURE: 2460000 -217.597 98.5901 21.5749 98.5893 -301.881 -68.7979 21.5747 -68.7992 -219.071 GPRESSURE: 2460000 -173.428 100.4 27.4183 80.1292 -261.434 -71.1677 5.23509 -121.921 -204.015 PRESSAVG: 2460000 2.92357 -20.0009 19.481 -20.0009 -4.19224 -45.4714 19.481 -45.4713 31.4402 GPRESSAVG: 2460000 5.03202 -20.6909 20.6255 -21.4987 -5.5185 -45.8717 22.3742 -45.5743 31.0482 TIMING: 2460000 CPU: 7138.58, 0.00289403/step Wall: 7138.58, 0.00289403/step, 2.0419 hours remaining, 206.152344 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: 2460000 745.3489 2021.2874 1927.7257 115.5493 -205858.6960 17405.3953 0.0000 0.0000 34102.1564 -149541.2330 297.8226 -183643.3894 -149439.9143 298.4761 -246.1829 -212.9589 556872.1954 10.0572 10.1873 PRESSURE: 2460200 91.3365 -157.247 79.8183 -157.246 208.193 49.8807 79.8181 49.8808 -157.152 GPRESSURE: 2460200 135.399 -217.813 167.534 -197.284 196.515 69.9246 48.4763 88.219 -84.975 PRESSAVG: 2460200 0.163667 0.779151 -20.9535 0.779189 -51.6641 -38.3478 -20.9534 -38.3478 35.9832 GPRESSAVG: 2460200 -1.15626 4.32235 -21.7617 -1.2445 -51.3162 -38.3525 -23.3917 -38.8543 36.6185 TIMING: 2460200 CPU: 7139.16, 0.00288128/step Wall: 7139.16, 0.00288128/step, 2.03274 hours remaining, 206.152344 MB of memory in use. ENERGY: 2460200 725.3907 2079.5979 1980.0983 116.5963 -206611.5786 17892.7881 0.0000 0.0000 34346.6118 -149470.4954 299.9575 -183817.1073 -149365.2216 298.9082 47.4591 82.3130 556379.2082 -5.1724 -5.2847 LDB: ============= START OF LOAD BALANCING ============== 7142.62 LDB: ============== END OF LOAD BALANCING =============== 7142.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.63 LDB: ============= START OF LOAD BALANCING ============== 7142.92 LDB: Largest compute 4821 load 0.034046 is 28.9% of average load 0.117745 LDB: Average compute 0.001717 is 1.5% of average load 0.117745 LDB: TIME 7142.92 LOAD: AVG 0.117745 MAX 0.17863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 7142.92 LOAD: AVG 0.117745 MAX 0.17863 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: TIME 7142.92 LOAD: AVG 0.117745 MAX 0.17863 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7142.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.93 PRESSURE: 2460400 45.5196 35.9997 -78.1156 35.9994 -2.13502 10.5536 -78.1143 10.5539 -109.62 GPRESSURE: 2460400 48.3841 -37.6822 3.90369 75.3364 78.8178 -25.0779 -69.1018 9.01369 -88.6987 PRESSAVG: 2460400 29.7551 -37.7991 -12.3941 -37.7992 6.72756 -12.1203 -12.394 -12.1203 -30.3111 GPRESSAVG: 2460400 30.1812 -39.4743 -12.528 -36.6914 7.26116 -13.1982 -10.7387 -11.7623 -30.9241 TIMING: 2460400 CPU: 7139.75, 0.00295424/step Wall: 7139.75, 0.00295424/step, 2.08405 hours remaining, 208.429688 MB of memory in use. ENERGY: 2460400 767.4071 2047.1144 1962.7818 118.3294 -206142.3717 17747.3987 0.0000 0.0000 34196.0877 -149303.2525 298.6429 -183499.3402 -149212.4558 298.5206 -22.0785 12.8344 557901.8285 2.0572 2.1727 PRESSURE: 2460600 -40.5692 -57.479 -161.137 -57.4771 -80.6739 -21.8099 -161.137 -21.8098 138.109 GPRESSURE: 2460600 -45.1388 2.71804 -156.314 -41.9845 -46.8882 -98.7168 -88.5688 -7.49165 205.158 PRESSAVG: 2460600 37.1194 -56.9903 -26.1431 -56.9903 -45.2386 -6.34744 -26.1431 -6.34737 12.8779 GPRESSAVG: 2460600 36.9036 -56.6023 -25.918 -56.4123 -45.4492 -6.14676 -27.1963 -6.99456 12.714 TIMING: 2460600 CPU: 7140.33, 0.00288067/step Wall: 7140.33, 0.00288067/step, 2.03199 hours remaining, 208.441406 MB of memory in use. ENERGY: 2460600 730.5327 2106.0804 1976.5814 97.0612 -206566.0113 18005.3109 0.0000 0.0000 34359.4576 -149290.9871 300.0697 -183650.4447 -149188.9353 298.9449 5.6219 37.7102 557893.0166 1.5863 1.3895 PRESSURE: 2460800 14.6253 139.842 -153.854 139.842 21.7073 13.3926 -153.854 13.3916 144.708 GPRESSURE: 2460800 35.2784 158.137 -225.39 42.9746 61.1375 -51.8532 -91.0169 49.8865 176.257 PRESSAVG: 2460800 -46.7939 -10.4713 22.3304 -10.4714 13.1856 -7.38959 22.3305 -7.38963 15.4669 GPRESSAVG: 2460800 -46.3747 -9.87252 20.8731 -11.2145 13.1038 -6.06214 21.9319 -5.34029 15.1469 TIMING: 2460800 CPU: 7140.91, 0.00290141/step Wall: 7140.91, 0.00290141/step, 2.04646 hours remaining, 208.441406 MB of memory in use. ENERGY: 2460800 735.6965 2068.6093 1959.4233 123.0105 -206375.8206 17916.7020 0.0000 0.0000 34249.7878 -149322.5913 299.1119 -183572.3791 -149229.1745 299.3514 60.3469 90.8910 557242.1497 -6.0471 -6.0413 PRESSURE: 2461000 13.6486 -81.0178 -200.858 -81.0182 246.214 35.7076 -200.858 35.7077 -61.8477 GPRESSURE: 2461000 44.514 -93.7508 -69.3306 -95.5427 262.354 79.6421 -256.491 1.32215 -15.927 PRESSAVG: 2461000 -42.3434 -13.0406 -24.8349 -13.0406 2.43181 -2.98843 -24.8351 -2.9885 -13.4977 GPRESSAVG: 2461000 -43.8326 -12.8603 -23.55 -13.4834 4.55777 -3.91689 -25.884 -4.93158 -13.4085 TIMING: 2461000 CPU: 7141.49, 0.00290943/step Wall: 7141.49, 0.00290943/step, 2.05195 hours remaining, 208.441406 MB of memory in use. ENERGY: 2461000 691.2709 2104.8691 1949.1901 111.6125 -206271.1258 18028.4993 0.0000 0.0000 34285.6398 -149100.0441 299.4250 -183385.6838 -149010.1557 298.7693 66.0050 96.9803 557717.4801 -17.8031 -17.5611 PRESSURE: 2461200 -232.642 40.8257 -28.6221 40.8261 159.162 -265.496 -28.6246 -265.496 281.244 GPRESSURE: 2461200 -166.505 -19.9863 -42.0671 -13.6713 118.851 -400.439 20.6298 -131.206 355.026 PRESSAVG: 2461200 -110.049 -25.8981 -15.1008 -25.8982 20.293 -8.66309 -15.1008 -8.66313 64.3433 GPRESSAVG: 2461200 -109.019 -28.1359 -16.7044 -25.4007 19.5346 -9.19689 -11.5336 -7.46928 64.0827 TIMING: 2461200 CPU: 7142.07, 0.0028933/step Wall: 7142.07, 0.0028933/step, 2.04042 hours remaining, 208.441406 MB of memory in use. ENERGY: 2461200 725.5574 2114.3933 1944.4203 117.5016 -206399.4067 17957.0802 0.0000 0.0000 34340.2381 -149200.2157 299.9018 -183540.4538 -149104.0024 299.7660 69.2548 102.4572 558464.0799 -8.4709 -8.4673 PRESSURE: 2461400 5.33189 34.2626 -158.46 34.263 -27.9409 24.5102 -158.459 24.5106 -129.234 GPRESSURE: 2461400 -11.7417 20.6236 -212.7 -40.3607 49.2275 -45.4793 -99.787 54.037 -93.323 PRESSAVG: 2461400 -21.0226 -67.365 -24.5789 -67.365 69.5802 33.0289 -24.5788 33.029 -11.5517 GPRESSAVG: 2461400 -21.4065 -67.4652 -24.0328 -66.8211 71.0997 33.6958 -26.1303 30.0178 -12.0373 TIMING: 2461400 CPU: 7142.65, 0.00289641/step Wall: 7142.65, 0.00289641/step, 2.04245 hours remaining, 208.441406 MB of memory in use. ENERGY: 2461400 735.0550 2113.5283 1963.6014 119.0006 -206117.6654 17657.4956 0.0000 0.0000 34371.4655 -149157.5190 300.1746 -183528.9845 -149052.6308 299.5001 -50.6143 -18.6124 556692.7310 12.3353 12.5520 PRESSURE: 2461600 -73.1226 -19.2528 36.7158 -19.2523 273.369 -0.753703 36.7152 -0.753918 -47.4637 GPRESSURE: 2461600 -48.4932 62.3688 8.71364 -78.4564 346.827 -17.6963 43.632 42.5907 -39.9245 PRESSAVG: 2461600 -16.0231 -9.68296 -11.7532 -9.68295 -12.322 2.45063 -11.7532 2.45059 -12.2836 GPRESSAVG: 2461600 -14.9257 -6.56371 -12.5312 -11.5765 -14.5221 2.76701 -11.8804 6.20006 -11.4573 TIMING: 2461600 CPU: 7143.23, 0.00289791/step Wall: 7143.23, 0.00289791/step, 2.04335 hours remaining, 208.441406 MB of memory in use. ENERGY: 2461600 792.8931 2174.6583 1954.3789 112.5128 -206375.9221 17756.0976 0.0000 0.0000 34317.3159 -149268.0655 299.7017 -183585.3814 -149172.6729 300.1777 50.9277 86.1364 555782.8849 -13.5429 -13.6350 PRESSURE: 2461800 145.281 -35.7956 -30.0094 -35.796 90.5901 123.781 -30.0108 123.782 178.335 GPRESSURE: 2461800 175.56 -35.6716 -54.6671 50.5143 117.151 29.1581 -23.5195 182.462 220.509 PRESSAVG: 2461800 -33.5139 6.36385 10.7907 6.36391 14.2564 58.5187 10.7908 58.5187 32.2112 GPRESSAVG: 2461800 -34.7355 5.90095 12.5047 7.63686 15.7391 59.1694 9.71283 56.5612 31.711 TIMING: 2461800 CPU: 7143.8, 0.002897/step Wall: 7143.8, 0.002897/step, 2.04254 hours remaining, 208.441406 MB of memory in use. ENERGY: 2461800 763.7058 2076.9246 1961.3303 126.2836 -206574.1485 18038.1316 0.0000 0.0000 34165.4531 -149442.3196 298.3754 -183607.7727 -149341.7725 299.9977 138.0686 171.0732 556267.1149 4.3179 4.2382 PRESSURE: 2462000 -38.9755 -96.4894 77.1352 -96.4898 116.405 -46.1716 77.1352 -46.1693 210.364 GPRESSURE: 2462000 10.08 -103.403 103.245 -12.273 123.112 -76.3356 31.2099 34.5981 254.02 PRESSAVG: 2462000 -17.1149 -26.3757 2.29572 -26.3757 -12.779 14.7978 2.29574 14.7977 55.2096 GPRESSAVG: 2462000 -16.3811 -27.7988 3.34225 -26.6367 -13.9945 13.8834 2.28103 16.0287 55.3642 TIMING: 2462000 CPU: 7144.38, 0.00289977/step Wall: 7144.38, 0.00289977/step, 2.04434 hours remaining, 208.441406 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: 2462000 731.2378 2109.5097 1966.6171 102.7068 -206608.0835 17998.8605 0.0000 0.0000 34135.0851 -149564.0665 298.1102 -183699.1516 -149462.4632 298.6341 95.9311 129.0707 555603.0408 8.4386 8.3296 PRESSURE: 2462200 -185.524 138.845 56.7418 138.844 -151.156 11.8865 56.7443 11.887 17.092 GPRESSURE: 2462200 -158.004 93.8985 63.7393 238.39 -92.629 -42.7964 19.2806 106.504 31.6035 PRESSAVG: 2462200 -37.0573 50.7373 4.91037 50.7372 -65.6226 -16.4557 4.91032 -16.4556 36.0557 GPRESSAVG: 2462200 -37.7897 50.7854 4.63687 52.3099 -65.4379 -17.0542 6.10687 -15.7044 36.4039 TIMING: 2462200 CPU: 7144.96, 0.00288213/step Wall: 7144.96, 0.00288213/step, 2.03174 hours remaining, 208.441406 MB of memory in use. ENERGY: 2462200 791.5260 2060.9637 1968.0276 109.7162 -206205.4395 17659.9212 0.0000 0.0000 34057.7140 -149557.5707 297.4345 -183615.2847 -149462.0361 298.2635 -106.5292 -73.0099 555114.8216 -22.2080 -22.2745 PRESSURE: 2462400 -235.8 10.8007 119.979 10.8006 -171.444 121.295 119.982 121.294 82.5181 GPRESSURE: 2462400 -252.565 60.9327 150.128 62.9331 -95.9467 37.5611 110.396 121.845 122.557 PRESSAVG: 2462400 -8.82091 19.9557 0.727413 19.9557 57.3337 8.51033 0.727352 8.51026 -16.6072 GPRESSAVG: 2462400 -8.72685 20.2091 0.409202 19.2862 57.0736 7.57757 0.101909 7.16345 -16.9664 TIMING: 2462400 CPU: 7145.54, 0.00289097/step Wall: 7145.54, 0.00289097/step, 2.03781 hours remaining, 208.441406 MB of memory in use. ENERGY: 2462400 775.9835 2083.9846 1974.7402 108.4246 -206142.6603 17582.0127 0.0000 0.0000 34172.2513 -149445.2635 298.4348 -183617.5148 -149350.7439 298.0135 -108.2422 -75.3184 555885.4683 10.6352 10.4601 PRESSURE: 2462600 -89.0847 67.1999 -94.2142 67.2004 -168.879 121.753 -94.2148 121.753 -72.4489 GPRESSURE: 2462600 -21.098 35.9914 -89.383 74.2418 -168.343 121.378 -46.0428 196.57 -42.707 PRESSAVG: 2462600 33.8439 -33.0994 5.65758 -33.0994 -4.83819 -4.21969 5.65759 -4.21977 17.9604 GPRESSAVG: 2462600 32.9491 -34.2934 4.97409 -32.9376 -3.95945 -0.501393 6.37163 -5.08759 18.0854 TIMING: 2462600 CPU: 7146.12, 0.00289479/step Wall: 7146.12, 0.00289479/step, 2.04035 hours remaining, 208.441406 MB of memory in use. ENERGY: 2462600 730.6285 2148.0422 1951.6110 116.5393 -206060.3417 17639.9708 0.0000 0.0000 33833.7256 -149639.8243 295.4783 -183473.5499 -149546.4537 298.0731 -110.1377 -77.3828 556764.6805 15.6553 15.6917 PRESSURE: 2462800 -181.208 71.4926 -23.9635 71.4932 -170.525 -27.1065 -23.9646 -27.1058 -391.522 GPRESSURE: 2462800 -132.935 112.157 37.0834 12.1812 -146.737 -63.71 -80.4841 -11.3026 -369.388 PRESSAVG: 2462800 8.21925 45.733 28.2461 45.7331 -6.34224 -29.1837 28.2461 -29.1836 -36.2619 GPRESSAVG: 2462800 7.39387 47.4298 29.7009 44.5183 -5.45918 -32.9189 26.3147 -26.8069 -35.8008 TIMING: 2462800 CPU: 7146.7, 0.00288883/step Wall: 7146.7, 0.00288883/step, 2.03598 hours remaining, 208.441406 MB of memory in use. ENERGY: 2462800 790.1913 2079.8056 1977.6697 122.4553 -206069.6084 17421.2873 0.0000 0.0000 34121.6598 -149556.5393 297.9929 -183678.1991 -149457.8214 297.9564 -247.7514 -216.3533 556016.5898 -11.4616 -11.2887 PRESSURE: 2463000 87.2159 -109.81 -11.8473 -109.81 -140.857 13.864 -11.8471 13.8623 158.095 GPRESSURE: 2463000 110.62 -116.548 -64.4384 -96.5925 -97.7158 123.316 28.2607 -17.926 192.137 PRESSAVG: 2463000 -39.2751 65.3029 39.1854 65.3029 87.2842 -39.0755 39.1854 -39.0755 -30.466 GPRESSAVG: 2463000 -37.8098 63.2144 38.828 65.1403 86.4056 -37.9179 38.5286 -39.5648 -30.8783 TIMING: 2463000 CPU: 7147.27, 0.00289374/step Wall: 7147.27, 0.00289374/step, 2.03929 hours remaining, 208.441406 MB of memory in use. ENERGY: 2463000 722.0501 2064.0285 1948.5838 120.1305 -206254.0979 17673.2977 0.0000 0.0000 34246.4257 -149479.5816 299.0826 -183726.0073 -149378.8289 298.7011 34.8179 68.3471 555930.7921 5.8477 5.9059 PRESSURE: 2463200 -98.2747 -52.6372 -18.2544 -52.6367 137.25 -15.2348 -18.2538 -15.2343 122.548 GPRESSURE: 2463200 -14.4633 -13.5579 60.8133 -142.384 133.574 37.643 -22.9312 -17.5189 143.382 PRESSAVG: 2463200 3.20914 -36.2427 -18.859 -36.2428 0.933152 -54.815 -18.859 -54.815 67.2804 GPRESSAVG: 2463200 2.90373 -33.8356 -18.1853 -35.5115 2.35185 -52.9721 -17.3342 -57.0236 66.465 TIMING: 2463200 CPU: 7147.85, 0.00289171/step Wall: 7147.85, 0.00289171/step, 2.03769 hours remaining, 208.441406 MB of memory in use. ENERGY: 2463200 744.2090 2103.7616 1947.3442 117.2334 -206462.2521 17930.6271 0.0000 0.0000 34195.9164 -149423.1603 298.6414 -183619.0768 -149334.0808 299.3580 53.8412 87.4977 555723.8382 23.8076 23.9068 PRESSURE: 2463400 30.0159 -171.635 1.4667 -171.633 -83.3 67.7364 1.4667 67.7346 -60.1848 GPRESSURE: 2463400 72.9276 -201.381 -6.58909 -169.438 -106.943 60.8581 -1.13148 73.7732 8.03706 PRESSAVG: 2463400 -6.34381 -53.8278 29.6151 -53.8278 -37.6297 -3.31935 29.6151 -3.31941 42.4333 GPRESSAVG: 2463400 -6.97556 -57.5422 26.8229 -52.5055 -38.4973 -5.65069 29.8735 -1.7049 43.9675 TIMING: 2463400 CPU: 7148.43, 0.00290808/step Wall: 7148.43, 0.00290808/step, 2.04907 hours remaining, 208.441406 MB of memory in use. ENERGY: 2463400 730.5851 2121.0383 1942.4595 118.9361 -206234.2298 17654.2091 0.0000 0.0000 34199.0216 -149467.9802 298.6686 -183667.0018 -149366.7489 298.6507 -37.8230 -8.6596 556548.7197 -0.5134 -0.5018 PRESSURE: 2463600 -258.101 -222.534 51.5289 -222.535 69.8704 42.0584 51.5297 42.0592 -95.5434 GPRESSURE: 2463600 -215.732 -273.764 5.75101 -157.823 50.8904 146.743 52.2562 63.172 -28.2725 PRESSAVG: 2463600 70.9338 -8.14218 27.956 -8.14217 -43.3806 13.8699 27.956 13.8698 -2.09977 GPRESSAVG: 2463600 70.3703 -5.68462 28.3185 -8.81605 -42.6753 16.0388 26.871 13.1158 -1.86497 TIMING: 2463600 CPU: 7149.02, 0.00290562/step Wall: 7149.02, 0.00290562/step, 2.04717 hours remaining, 208.441406 MB of memory in use. ENERGY: 2463600 732.5108 2143.7478 1954.3128 123.0504 -206356.6842 17677.7897 0.0000 0.0000 34253.8646 -149471.4080 299.1475 -183725.2727 -149374.7620 298.8925 -94.5912 -64.3713 557326.6418 8.4845 8.6100 PRESSURE: 2463800 -259.905 -23.4286 -97.525 -23.4291 58.9604 -48.6388 -97.525 -48.6382 -118.843 GPRESSURE: 2463800 -260.74 7.86839 -87.9489 35.2465 104.532 -25.6384 -141.247 40.7006 -64.9712 PRESSAVG: 2463800 -0.30595 13.2656 26.855 13.2656 8.40127 -20.4565 26.855 -20.4565 -51.7721 GPRESSAVG: 2463800 1.29791 12.4524 27.1207 13.3367 7.3795 -21.0973 28.31 -20.4832 -52.7967 TIMING: 2463800 CPU: 7149.59, 0.00289245/step Wall: 7149.59, 0.00289245/step, 2.03773 hours remaining, 208.441406 MB of memory in use. ENERGY: 2463800 719.7094 2055.4288 1983.0861 110.4938 -206418.7079 17699.1350 0.0000 0.0000 34095.6301 -149755.2246 297.7656 -183850.8548 -149666.7419 297.6587 -106.5959 -73.7267 557225.4193 -14.5589 -14.7064 PRESSURE: 2464000 253.788 -56.251 179.682 -56.2495 194.764 -76.2192 179.68 -76.2183 121.712 GPRESSURE: 2464000 235.38 -49.1833 203.793 -88.8495 232.463 23.8211 161.431 -167.533 200.906 PRESSAVG: 2464000 -1.50563 -33.7597 -12.3273 -33.7596 19.5332 -34.8247 -12.3273 -34.8248 -5.22818 GPRESSAVG: 2464000 -0.989245 -34.6757 -11.9858 -33.7045 19.9634 -35.3691 -12.487 -35.107 -5.7904 TIMING: 2464000 CPU: 7150.17, 0.00290069/step Wall: 7150.17, 0.00290069/step, 2.04337 hours remaining, 208.441406 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: 2464000 722.6805 2066.3272 1954.6483 113.5652 -206723.0364 18004.2282 0.0000 0.0000 34060.9812 -149800.6058 297.4630 -183861.5870 -149706.9369 297.5518 190.0881 222.9162 555223.6843 4.2665 4.3946 PRESSURE: 2464200 -310.923 71.4045 4.06999 71.4049 -181.912 33.5463 4.07036 33.5466 46.4471 GPRESSURE: 2464200 -246.538 35.1191 29.0228 74.7222 -109.087 -68.7467 -1.13043 38.3327 16.2728 PRESSAVG: 2464200 26.7374 25.6124 6.50623 25.6125 -32.3521 0.109835 6.5062 0.109868 -27.75 GPRESSAVG: 2464200 26.0854 26.9936 5.51329 24.7009 -32.638 0.617206 6.82247 -0.296651 -26.8771 TIMING: 2464200 CPU: 7150.75, 0.00288655/step Wall: 7150.75, 0.00288655/step, 2.03326 hours remaining, 208.441406 MB of memory in use. ENERGY: 2464200 728.5021 2025.2219 1975.8746 114.7733 -206160.8103 17752.8710 0.0000 0.0000 33891.4500 -149672.1173 295.9825 -183563.5674 -149574.0013 297.4436 -148.7961 -113.1175 556891.6976 -11.1215 -11.1432 LDB: ============= START OF LOAD BALANCING ============== 7154.22 LDB: ============== END OF LOAD BALANCING =============== 7154.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7154.22 LDB: ============= START OF LOAD BALANCING ============== 7154.51 LDB: Largest compute 4821 load 0.032421 is 27.5% of average load 0.117815 LDB: Average compute 0.001721 is 1.5% of average load 0.117815 LDB: TIME 7154.51 LOAD: AVG 0.117815 MAX 0.178949 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.688 MB LDB: TIME 7154.51 LOAD: AVG 0.117815 MAX 0.178949 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.93 MB LDB: TIME 7154.51 LOAD: AVG 0.117815 MAX 0.178949 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7154.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7154.52 PRESSURE: 2464400 110.424 112.603 39.1372 112.603 -56.5873 71.3975 39.137 71.398 -78.5422 GPRESSURE: 2464400 133.516 110.279 -20.1031 123.623 9.66944 110.562 13.8923 56.5843 -77.9062 PRESSAVG: 2464400 0.229939 31.4839 11.6833 31.4839 -0.298362 34.9942 11.6832 34.9941 24.3268 GPRESSAVG: 2464400 0.325873 30.4004 12.3878 31.7696 -0.209971 33.5852 11.7658 37.0139 23.4063 TIMING: 2464400 CPU: 7151.34, 0.002962/step Wall: 7151.34, 0.002962/step, 2.08623 hours remaining, 207.160156 MB of memory in use. ENERGY: 2464400 762.8620 2011.1764 1947.3637 112.8149 -206243.7490 17833.6249 0.0000 0.0000 33982.5182 -149593.3888 296.7778 -183575.9071 -149497.4376 297.6497 -8.2350 21.7597 558958.6426 8.0861 7.8407 PRESSURE: 2464600 -164.051 -57.2008 81.5113 -57.2018 -21.1382 125.944 81.5109 125.944 -40.4522 GPRESSURE: 2464600 -172.95 -16.4031 37.8028 -84.7361 38.3804 15.4109 -10.4327 168.343 -14.7826 PRESSAVG: 2464600 -42.9122 43.4392 -16.8185 43.4391 0.267482 -2.64078 -16.8186 -2.64084 11.2426 GPRESSAVG: 2464600 -42.4293 44.6855 -16.6693 42.7015 -0.554739 -4.19153 -17.658 -2.50322 10.8542 TIMING: 2464600 CPU: 7151.93, 0.00292636/step Wall: 7151.93, 0.00292636/step, 2.06097 hours remaining, 207.363281 MB of memory in use. ENERGY: 2464600 751.0658 2000.3693 1953.8647 109.9730 -206281.6220 17885.5789 0.0000 0.0000 33988.9751 -149591.7952 296.8342 -183580.7703 -149493.7963 297.7832 -75.2138 -49.7841 557823.2950 -10.4674 -10.7100 PRESSURE: 2464800 -47.9495 3.01667 34.8551 3.01578 -68.0619 81.0586 34.8565 81.0574 -214.692 GPRESSURE: 2464800 -25.3436 -44.3005 -21.2671 40.9185 -16.0072 -3.95941 25.5404 201.182 -189.959 PRESSAVG: 2464800 -0.996212 -28.782 27.5283 -28.7819 24.151 24.1969 27.5283 24.1969 -63.4334 GPRESSAVG: 2464800 -1.57229 -29.5364 26.7869 -26.2389 24.0364 26.5703 29.7778 23.3234 -62.9768 TIMING: 2464800 CPU: 7152.51, 0.00290831/step Wall: 7152.51, 0.00290831/step, 2.04809 hours remaining, 207.363281 MB of memory in use. ENERGY: 2464800 712.2786 2050.2814 1952.6617 110.8382 -206317.9012 17708.0764 0.0000 0.0000 34154.8075 -149628.9572 298.2824 -183783.7648 -149531.7354 298.5366 -110.2343 -77.1033 558865.2035 -13.4262 -13.5042 PRESSURE: 2465000 149.137 86.1295 69.9726 86.1285 -65.2293 -285.775 69.9718 -285.777 41.6684 GPRESSURE: 2465000 194.784 83.1273 157.29 129.332 -24.9653 -272.357 6.22019 -357.307 55.0978 PRESSAVG: 2465000 -18.1717 15.6117 80.9054 15.6117 5.524 -31.1454 80.9054 -31.1454 31.8018 GPRESSAVG: 2465000 -17.8532 15.3094 82.6015 13.56 6.53485 -31.3897 77.3805 -32.7427 30.8409 TIMING: 2465000 CPU: 7153.09, 0.00288776/step Wall: 7153.09, 0.00288776/step, 2.03347 hours remaining, 207.363281 MB of memory in use. ENERGY: 2465000 724.9303 2086.9153 1964.1257 119.2676 -206933.7876 18198.4571 0.0000 0.0000 34150.5662 -149689.5253 298.2454 -183840.0915 -149593.6585 298.1394 41.8588 74.9721 557688.3068 6.3847 6.5075 PRESSURE: 2465200 150.316 121.061 -40.4001 121.062 -109.887 47.782 -40.4002 47.7788 15.0337 GPRESSURE: 2465200 132.574 92.1578 -40.3532 126.42 -68.2659 1.85665 -31.6509 97.6415 93.2686 PRESSAVG: 2465200 -23.311 -8.25189 17.5449 -8.2519 42.9914 -2.41172 17.5448 -2.4117 -17.4656 GPRESSAVG: 2465200 -24.0292 -6.99574 16.7762 -8.49565 43.1445 -1.31505 18.7091 -2.81688 -17.0024 TIMING: 2465200 CPU: 7153.67, 0.00289462/step Wall: 7153.67, 0.00289462/step, 2.03814 hours remaining, 207.363281 MB of memory in use. ENERGY: 2465200 745.3156 2083.1898 1942.9032 107.7475 -206770.6071 18101.6042 0.0000 0.0000 34150.5645 -149639.2823 298.2454 -183789.8468 -149551.1487 297.5795 18.4874 52.5256 558263.8803 0.7383 0.7043 PRESSURE: 2465400 -245.213 25.864 71.6016 25.8639 -231.522 -71.2928 71.6023 -71.2933 -159.785 GPRESSURE: 2465400 -243.664 97.2022 147.047 -101.707 -167.976 -119.082 -39.6648 -137.929 -124.332 PRESSAVG: 2465400 46.3966 9.2792 23.7198 9.27924 -2.87059 -63.7842 23.7198 -63.7843 -53.805 GPRESSAVG: 2465400 46.6269 7.69588 27.374 9.44756 -4.37639 -63.7361 21.8241 -64.4084 -52.8448 TIMING: 2465400 CPU: 7154.25, 0.00290948/step Wall: 7154.25, 0.00290948/step, 2.04843 hours remaining, 207.363281 MB of memory in use. ENERGY: 2465400 758.7225 2029.6360 1924.4339 124.4138 -206018.7752 17632.3750 0.0000 0.0000 34014.7314 -149534.4625 297.0591 -183549.1939 -149441.0346 297.4543 -212.1733 -178.6570 558414.1697 -3.4263 -3.5314 PRESSURE: 2465600 16.6247 -88.1974 -85.8088 -88.1974 -96.833 -34.9395 -85.8092 -34.9391 -89.0417 GPRESSURE: 2465600 60.4035 -104.729 -42.6521 -65.7059 -72.8033 -147.681 -150.582 -13.0247 -61.8578 PRESSAVG: 2465600 6.66776 -51.8817 25.8214 -51.8817 -2.20591 -3.52396 25.8215 -3.52406 7.45242 GPRESSAVG: 2465600 6.08096 -47.5682 24.6003 -52.6432 -1.46303 -5.868 27.7129 -1.12627 7.25516 TIMING: 2465600 CPU: 7154.83, 0.00289544/step Wall: 7154.83, 0.00289544/step, 2.03839 hours remaining, 207.363281 MB of memory in use. ENERGY: 2465600 753.4963 2091.9243 1955.4557 116.5753 -206006.7731 17812.4316 0.0000 0.0000 33977.6205 -149299.2693 296.7350 -183276.8898 -149199.8811 298.8245 -56.4166 -24.7525 556832.9276 3.9714 3.9577 PRESSURE: 2465800 28.4281 12.9851 50.603 12.9854 -80.445 136.62 50.6037 136.62 -12.0966 GPRESSURE: 2465800 58.1985 110.866 -3.00445 -45.3873 -85.9399 169.216 43.8399 98.7329 61.9303 PRESSAVG: 2465800 48.2349 7.77012 -7.33991 7.77016 -77.8121 13.7357 -7.33992 13.7358 26.3851 GPRESSAVG: 2465800 47.4599 4.24777 -10.5063 7.78645 -78.5989 13.3853 -6.20771 12.6995 27.933 TIMING: 2465800 CPU: 7155.41, 0.00288417/step Wall: 7155.41, 0.00288417/step, 2.0303 hours remaining, 207.363281 MB of memory in use. ENERGY: 2465800 740.9575 2140.5625 1955.7209 119.7908 -205950.4424 17722.6312 0.0000 0.0000 34151.9124 -149118.8672 298.2571 -183270.7796 -149012.1867 298.7836 -21.3712 11.3963 557154.2338 -1.0640 -1.0687 PRESSURE: 2466000 -164.826 50.0438 -159.756 50.0452 4.44876 -29.0911 -159.754 -29.0914 82.6415 GPRESSURE: 2466000 -81.7592 25.871 -146.954 64.1732 51.8734 34.3732 -130.982 -42.6048 60.7227 PRESSAVG: 2466000 36.9873 20.652 -15.06 20.652 -3.38777 -24.8862 -15.06 -24.8863 -0.518202 GPRESSAVG: 2466000 38.297 22.507 -14.6495 21.9034 -2.788 -25.0077 -16.2617 -24.9456 -1.76874 TIMING: 2466000 CPU: 7155.98, 0.00288245/step Wall: 7155.98, 0.00288245/step, 2.02893 hours remaining, 207.363281 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: 2466000 781.8064 2070.5500 1967.3045 114.6804 -206203.3717 17742.7757 0.0000 0.0000 34456.6380 -149069.6166 300.9184 -183526.2546 -148975.1499 299.9727 -25.9120 10.2790 557682.7355 11.0271 11.2468 PRESSURE: 2466200 -120.008 -83.9416 44.4172 -83.9433 -40.9456 -8.84181 44.418 -8.84275 204.404 GPRESSURE: 2466200 -117.066 -85.3978 63.3716 -124.61 63.5134 -76.8045 45.5878 -2.93329 185.233 PRESSAVG: 2466200 33.5186 31.122 29.41 31.1221 -11.6625 -10.8675 29.4101 -10.8675 15.0012 GPRESSAVG: 2466200 33.0333 31.4196 29.4437 30.8674 -11.5889 -8.00837 30.9282 -11.0741 15.6459 TIMING: 2466200 CPU: 7156.56, 0.00287329/step Wall: 7156.56, 0.00287329/step, 2.02232 hours remaining, 207.363281 MB of memory in use. ENERGY: 2466200 747.0374 2068.6613 1963.6932 102.0761 -206328.7816 17865.8842 0.0000 0.0000 34499.1232 -149082.3062 301.2894 -183581.4294 -148989.0565 299.4562 14.4836 43.8933 557325.5117 12.2858 12.3634 PRESSURE: 2466400 -220.709 57.7398 12.8683 57.7396 -152.719 -33.739 12.867 -33.74 -222.045 GPRESSURE: 2466400 -153.715 114.708 -29.0221 113.258 -156.495 -46.6179 77.3077 -52.4362 -185.502 PRESSAVG: 2466400 13.9102 60.354 13.208 60.354 2.86872 -6.18646 13.208 -6.18656 -18.659 GPRESSAVG: 2466400 14.783 58.371 14.9358 61.2829 2.52003 -6.79209 12.4207 -5.83352 -19.0102 TIMING: 2466400 CPU: 7157.13, 0.00288684/step Wall: 7157.13, 0.00288684/step, 2.0317 hours remaining, 207.363281 MB of memory in use. ENERGY: 2466400 758.8602 2110.0360 1989.1857 110.4401 -205706.4537 17561.3122 0.0000 0.0000 34241.3053 -148935.3141 299.0378 -183176.6195 -148837.7525 299.7685 -198.4907 -165.2374 558865.7202 -0.6267 -0.5691 PRESSURE: 2466600 -427.384 84.471 -75.8181 84.4707 -256.94 -56.153 -75.8178 -56.1547 -229.036 GPRESSURE: 2466600 -356.322 44.3302 -48.2047 162.704 -227.015 -133.248 -198.459 -26.0603 -237.981 PRESSAVG: 2466600 -11.533 22.6787 -13.7772 22.6787 32.4035 -5.98387 -13.7772 -5.98381 -37.9094 GPRESSAVG: 2466600 -12.2143 25.2614 -14.5409 22.3969 32.5272 -6.78129 -13.8959 -4.57979 -37.1018 TIMING: 2466600 CPU: 7157.71, 0.00289596/step Wall: 7157.71, 0.00289596/step, 2.03795 hours remaining, 207.500000 MB of memory in use. ENERGY: 2466600 770.3962 2051.4413 1950.7331 114.9606 -205496.9953 17443.6008 0.0000 0.0000 34325.0381 -148840.8253 299.7691 -183165.8634 -148745.0221 299.5137 -304.4531 -273.7725 558770.2111 -5.6796 -5.5963 PRESSURE: 2466800 -77.5335 -27.5878 58.3576 -27.5869 -5.35137 43.9043 58.3573 43.9048 -94.4267 GPRESSURE: 2466800 -47.9883 -28.644 95.8846 40.8764 46.3284 19.8025 -30.518 4.09041 -70.3456 PRESSAVG: 2466800 6.65789 55.3267 -24.2104 55.3267 -9.29072 -7.26861 -24.2103 -7.26856 -10.1706 GPRESSAVG: 2466800 6.48325 53.2539 -24.099 55.1059 -8.59235 -7.39148 -24.9133 -7.14868 -10.6616 TIMING: 2466800 CPU: 7158.29, 0.00288215/step Wall: 7158.29, 0.00288215/step, 2.02807 hours remaining, 207.500000 MB of memory in use. ENERGY: 2466800 750.7186 2118.9900 1959.0894 117.4607 -205877.0853 17805.8905 0.0000 0.0000 34208.2356 -148916.7005 298.7490 -183124.9361 -148827.7063 300.1250 -59.1039 -24.0018 557628.6959 -4.2678 -4.2569 PRESSURE: 2467000 17.6288 203.898 38.3858 203.899 -177.999 22.7623 38.3864 22.7622 1.5379 GPRESSURE: 2467000 93.9087 139.197 72.2526 219.194 -153.581 -18.0634 51.3409 128.434 -0.00880255 PRESSAVG: 2467000 18.1873 23.5233 33.7285 23.5232 -18.3582 -18.4965 33.7284 -18.4966 -13.2236 GPRESSAVG: 2467000 17.2942 25.0662 33.6597 22.7721 -17.9562 -18.6546 33.4523 -20.8629 -12.5364 TIMING: 2467000 CPU: 7158.86, 0.00286317/step Wall: 7158.86, 0.00286317/step, 2.01456 hours remaining, 207.500000 MB of memory in use. ENERGY: 2467000 736.4331 2067.4873 1947.8532 133.8182 -205642.9297 17581.5386 0.0000 0.0000 34327.2759 -148848.5234 299.7886 -183175.7993 -148751.5841 300.0118 -52.9442 -19.8937 557008.6709 -4.4648 -4.3995 PRESSURE: 2467200 -80.9496 45.9066 122.66 45.9065 105.743 -141.532 122.659 -141.534 -124.603 GPRESSURE: 2467200 -29.5624 3.75731 44.8384 61.6608 132.275 -125.97 191.196 -121.334 -112.575 PRESSAVG: 2467200 27.6651 23.5787 -4.69359 23.5787 -8.64493 -18.5683 -4.69355 -18.5683 3.34199 GPRESSAVG: 2467200 28.181 22.2074 -3.87678 24.5552 -9.4514 -16.9875 -5.03939 -17.1106 3.24774 TIMING: 2467200 CPU: 7159.44, 0.00289398/step Wall: 7159.44, 0.00289398/step, 2.03607 hours remaining, 207.500000 MB of memory in use. ENERGY: 2467200 713.0112 2108.9902 1929.9707 108.4564 -205878.7102 17486.4956 0.0000 0.0000 34398.1521 -149133.6339 300.4076 -183531.7861 -149033.5020 300.3101 -33.2698 -3.2877 555931.5992 7.4541 7.3258 PRESSURE: 2467400 222.741 8.70922 241.18 8.70923 77.8797 0.750869 241.179 0.752877 211.349 GPRESSURE: 2467400 277.579 8.61751 221.813 41.0169 103.267 -68.2768 216.306 10.1296 223.194 PRESSAVG: 2467400 72.7628 22.2215 -9.5824 22.2216 -12.6633 33.5176 -9.58237 33.5175 -23.3223 GPRESSAVG: 2467400 71.9862 22.7014 -10.6051 22.0576 -11.3866 31.7018 -7.54605 34.7907 -24.7243 TIMING: 2467400 CPU: 7160.02, 0.00287291/step Wall: 7160.02, 0.00287291/step, 2.02109 hours remaining, 207.500000 MB of memory in use. ENERGY: 2467400 735.4000 2057.5779 1988.4666 118.5170 -206253.5751 17871.5059 0.0000 0.0000 34376.2716 -149105.8360 300.2165 -183482.1076 -149007.8375 299.2776 170.6568 201.3466 555648.0038 12.2591 11.9584 PRESSURE: 2467600 148.628 -19.7293 -76.1113 -19.7298 -76.2091 117.679 -76.1126 117.68 -156.801 GPRESSURE: 2467600 153.818 -64.32 -99.3779 11.2788 -29.0794 85.1535 -56.3585 48.841 -112.568 PRESSAVG: 2467600 94.9062 -16.3032 -9.24849 -16.3033 -91.6226 3.44556 -9.24849 3.44557 -9.47176 GPRESSAVG: 2467600 95.6454 -17.114 -7.53554 -15.6792 -93.2382 3.86586 -10.8809 1.90472 -8.70321 TIMING: 2467600 CPU: 7160.59, 0.00289266/step Wall: 7160.59, 0.00289266/step, 2.03483 hours remaining, 207.500000 MB of memory in use. ENERGY: 2467600 718.3172 2043.3369 1931.3360 116.6914 -205795.8703 17545.7255 0.0000 0.0000 34402.1706 -149038.2926 300.4427 -183440.4633 -148944.1346 298.9424 -28.1271 4.0571 557707.0028 -2.0627 -2.0987 PRESSURE: 2467800 -165.452 -136.214 -8.09833 -136.214 -258.781 172.416 -8.09817 172.417 -209.903 GPRESSURE: 2467800 -93.9423 -159.074 12.6812 -114.114 -246.853 107.165 3.48528 174.378 -189.848 PRESSAVG: 2467800 61.7304 -14.5947 -33.9701 -14.5947 -20.0413 24.4948 -33.9701 24.4949 -32.5737 GPRESSAVG: 2467800 60.5648 -14.9826 -35.3991 -14.5424 -18.9459 24.3419 -32.5091 25.0993 -32.4009 TIMING: 2467800 CPU: 7161.17, 0.00288488/step Wall: 7161.17, 0.00288488/step, 2.02919 hours remaining, 207.500000 MB of memory in use. ENERGY: 2467800 749.6022 2101.9039 1915.7568 109.4186 -206098.1929 17771.3887 0.0000 0.0000 34468.4546 -148981.6680 301.0216 -183450.1226 -148887.1589 300.1327 -211.3786 -176.8811 560177.1255 3.0385 3.0727 PRESSURE: 2468000 -157.415 -194.578 -13.9281 -194.579 4.66984 77.6606 -13.9281 77.6601 -139.044 GPRESSURE: 2468000 -136.838 -139.797 -14.6454 -175.753 13.7736 7.80134 -86.6544 106.288 -79.6156 PRESSAVG: 2468000 50.6285 -13.4112 -19.7817 -13.4112 -71.1647 65.8965 -19.7817 65.8966 -16.0564 GPRESSAVG: 2468000 51.6496 -11.0266 -19.673 -14.8856 -70.7574 65.9398 -21.7217 66.8133 -17.4251 TIMING: 2468000 CPU: 7161.75, 0.00288008/step Wall: 7161.75, 0.00288008/step, 2.02566 hours remaining, 207.500000 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: 2468000 736.4881 2125.4410 1938.2322 107.5725 -205989.7149 17773.8354 0.0000 0.0000 34307.8342 -149000.3116 299.6188 -183308.1458 -148906.4814 300.3902 -97.2630 -67.5601 559306.9112 -12.1975 -12.1776 PRESSURE: 2468200 -178.6 81.6842 -33.5074 81.6849 -77.8366 -9.79838 -33.5075 -9.79835 167.994 GPRESSURE: 2468200 -131.333 68.8923 50.6025 43.364 -4.88015 -7.62996 -76.9652 -47.0015 156.252 PRESSAVG: 2468200 23.3647 -10.3574 -39.2085 -10.3575 44.3181 -15.2883 -39.2086 -15.2883 -46.6667 GPRESSAVG: 2468200 22.1591 -13.3114 -40.5088 -9.58285 43.9298 -13.6316 -36.1673 -17.0307 -44.8725 TIMING: 2468200 CPU: 7162.32, 0.0028839/step Wall: 7162.32, 0.0028839/step, 2.02818 hours remaining, 207.500000 MB of memory in use. ENERGY: 2468200 723.4187 2031.4823 1933.1203 104.2918 -205903.6508 17764.0909 0.0000 0.0000 34318.3902 -149028.8565 299.7110 -183347.2466 -148926.7151 299.2692 -29.4807 6.6794 559063.3610 7.0054 7.0721 LDB: ============= START OF LOAD BALANCING ============== 7165.79 LDB: ============== END OF LOAD BALANCING =============== 7165.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7165.79 LDB: ============= START OF LOAD BALANCING ============== 7166.08 LDB: Largest compute 4821 load 0.033697 is 28.6% of average load 0.117732 LDB: Average compute 0.001723 is 1.5% of average load 0.117732 LDB: TIME 7166.08 LOAD: AVG 0.117732 MAX 0.176863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 7166.08 LOAD: AVG 0.117732 MAX 0.176863 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 7166.08 LOAD: AVG 0.117732 MAX 0.176863 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7166.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7166.09 PRESSURE: 2468400 -33.5112 -69.1843 107.246 -69.1842 190.064 51.8295 107.246 51.8292 293.207 GPRESSURE: 2468400 44.4098 -46.1725 98.5486 -117.959 209.839 50.364 117.345 53.8037 302.652 PRESSAVG: 2468400 -23.7715 -37.872 -20.0284 -37.872 -0.925604 -53.4562 -20.0285 -53.4561 39.5042 GPRESSAVG: 2468400 -22.4495 -35.3293 -18.3971 -38.1491 -0.733116 -53.8673 -22.6602 -53.4113 38.1084 TIMING: 2468400 CPU: 7162.91, 0.00294151/step Wall: 7162.91, 0.00294151/step, 2.06854 hours remaining, 206.285156 MB of memory in use. ENERGY: 2468400 749.8801 2072.3662 1955.9131 105.8604 -206459.7114 18262.2257 0.0000 0.0000 34227.4516 -149086.0143 298.9168 -183313.4659 -148990.4110 299.3768 149.9198 185.6337 558320.7966 4.9357 4.9753 PRESSURE: 2468600 -36.365 -106.496 9.79956 -106.495 60.5574 -117.619 9.79972 -117.619 110.327 GPRESSURE: 2468600 -5.41327 -51.4642 -14.7254 -63.8557 89.2282 -121.932 53.7132 -112.669 149.275 PRESSAVG: 2468600 -0.0169517 -9.78605 50.4841 -9.786 -68.6963 -25.9147 50.484 -25.9148 41.7893 GPRESSAVG: 2468600 0.0577012 -11.6495 50.156 -8.02737 -69.0829 -28.5062 51.2816 -23.2734 42.0116 TIMING: 2468600 CPU: 7163.49, 0.00289864/step Wall: 7163.49, 0.00289864/step, 2.03823 hours remaining, 206.488281 MB of memory in use. ENERGY: 2468600 717.4502 2086.2842 1991.4653 118.7223 -206196.2914 17869.7441 0.0000 0.0000 34331.3046 -149081.3208 299.8238 -183412.6254 -148988.7914 299.1559 44.8399 77.6965 558112.9326 -8.9747 -9.0045 PRESSURE: 2468800 96.0317 66.8091 131.434 66.8091 112.297 -78.8115 131.435 -78.8122 -115.811 GPRESSURE: 2468800 180.973 97.0978 84.7413 93.8152 46.4304 -53.019 114.037 -75.2062 -37.8846 PRESSAVG: 2468800 58.2746 -4.92817 61.6991 -4.92807 10.9546 -0.117839 61.699 -0.117901 -52.919 GPRESSAVG: 2468800 58.2173 -5.7553 64.754 -4.50931 10.4294 1.50444 61.2361 -1.05671 -52.8043 TIMING: 2468800 CPU: 7164.07, 0.00289289/step Wall: 7164.07, 0.00289289/step, 2.03402 hours remaining, 206.488281 MB of memory in use. ENERGY: 2468800 727.1330 2077.1943 1990.2932 108.2030 -205817.0395 17700.0865 0.0000 0.0000 34202.9884 -149011.1410 298.7032 -183214.1295 -148919.7332 299.2910 30.8393 63.1730 558166.9604 5.4367 5.2808 PRESSURE: 2469000 -267.859 -65.6939 126.806 -65.6937 -228.221 -155.448 126.807 -155.449 -163.282 GPRESSURE: 2469000 -281.942 -86.3868 92.2759 9.27501 -180.043 -106.503 93.3849 -193.094 -95.5563 PRESSAVG: 2469000 1.45521 50.065 -9.83822 50.065 15.1165 -22.5319 -9.83822 -22.5319 -5.44433 GPRESSAVG: 2469000 1.44076 50.0493 -11.8659 48.5217 16.6318 -23.2775 -9.51313 -19.7945 -6.77701 TIMING: 2469000 CPU: 7164.66, 0.00292491/step Wall: 7164.66, 0.00292491/step, 2.05638 hours remaining, 206.488281 MB of memory in use. ENERGY: 2469000 760.1274 2110.6236 1941.1530 110.4857 -205974.8378 17501.0993 0.0000 0.0000 34415.1908 -149136.1581 300.5564 -183551.3489 -149041.2837 299.8344 -219.7874 -185.8471 557436.3012 3.7091 3.7652 PRESSURE: 2469200 -22.7694 159.499 82.8745 159.499 222.219 -94.6443 82.8746 -94.6435 -226.08 GPRESSURE: 2469200 23.0001 151.14 104.035 81.6485 184.443 -130.679 51.6731 -136.794 -140.52 PRESSAVG: 2469200 -23.372 4.23831 1.16033 4.23826 50.8882 7.27534 1.16038 7.27532 -60.4774 GPRESSAVG: 2469200 -23.1313 4.65993 0.262305 4.97164 49.8871 7.3679 0.743854 4.67122 -59.635 TIMING: 2469200 CPU: 7165.23, 0.00289616/step Wall: 7165.23, 0.00289616/step, 2.036 hours remaining, 206.488281 MB of memory in use. ENERGY: 2469200 748.7258 2078.4842 1947.8945 121.2149 -205914.9035 17696.5105 0.0000 0.0000 34304.6340 -149017.4395 299.5909 -183322.0735 -148922.2570 299.0881 -8.8768 22.3078 556455.2397 -10.9871 -10.9597 PRESSURE: 2469400 -72.9473 16.2337 -36.924 16.2332 71.8582 -70.3503 -36.9239 -70.3488 152.012 GPRESSURE: 2469400 -88.9189 29.7326 -33.2091 20.0339 120.169 -112.201 -27.8051 31.2955 206.987 PRESSAVG: 2469400 -6.30695 4.67649 -6.08934 4.67654 43.5949 -67.92 -6.0894 -67.92 -28.7954 GPRESSAVG: 2469400 -7.6996 5.6421 -5.65688 3.85161 44.4212 -68.3546 -5.90678 -67.7188 -28.3759 TIMING: 2469400 CPU: 7165.82, 0.00291927/step Wall: 7165.82, 0.00291927/step, 2.05208 hours remaining, 206.488281 MB of memory in use. ENERGY: 2469400 758.2394 2104.5356 1952.1577 110.3412 -206243.9904 17926.8378 0.0000 0.0000 34650.8458 -148741.0330 302.6145 -183391.8788 -148644.0710 300.1954 50.3078 79.4125 557204.9249 2.8309 2.7819 PRESSURE: 2469600 14.6032 -116.075 46.5166 -116.075 -49.1518 -112.553 46.5167 -112.551 401.855 GPRESSURE: 2469600 69.2127 -203.532 139.83 -154.485 -2.24901 -64.3474 91.5298 -109.428 400.774 PRESSAVG: 2469600 55.8334 2.30348 53.7147 2.30349 5.31158 -27.6811 53.7147 -27.6809 -11.1375 GPRESSAVG: 2469600 56.6875 2.14403 51.9172 2.57604 5.4709 -25.0105 54.9791 -28.8744 -11.6187 TIMING: 2469600 CPU: 7166.4, 0.00291239/step Wall: 7166.4, 0.00291239/step, 2.04709 hours remaining, 206.488281 MB of memory in use. ENERGY: 2469600 748.8316 2074.9000 1957.6825 105.7730 -205891.3244 17848.2577 0.0000 0.0000 34256.1449 -148899.7347 299.1674 -183155.8795 -148806.2770 300.6274 122.4353 155.9125 557005.2528 16.6692 16.8466 PRESSURE: 2469800 152.737 -203.489 -22.5522 -203.488 86.0716 -87.6138 -22.5526 -87.6142 215.128 GPRESSURE: 2469800 244.024 -98.0092 -25.9641 -286.979 103.212 -112.533 -25.4617 -86.2113 205.356 PRESSAVG: 2469800 15.5605 -32.7073 52.2475 -32.7074 16.6212 -35.0258 52.2475 -35.0259 0.464883 GPRESSAVG: 2469800 16.8155 -32.1269 53.7613 -33.3015 14.942 -37.2153 51.3183 -33.6938 0.962686 TIMING: 2469800 CPU: 7166.98, 0.00290037/step Wall: 7166.98, 0.00290037/step, 2.03848 hours remaining, 206.488281 MB of memory in use. ENERGY: 2469800 767.1588 2078.9080 1981.7897 125.3133 -206739.0287 18159.9118 0.0000 0.0000 34464.0097 -149161.9374 300.9828 -183625.9472 -149070.3174 299.9408 151.3123 184.1971 556974.7383 10.8822 10.9068 PRESSURE: 2470000 152.799 -58.6963 57.1364 -58.6975 -20.1993 -137.712 57.1361 -137.714 119.745 GPRESSURE: 2470000 124.225 33.3801 48.6013 -56.9742 89.0364 -115.798 11.9684 -106.698 140.843 PRESSAVG: 2470000 32.5183 -5.37388 18.9789 -5.37395 0.189331 -95.0002 18.9788 -95.0002 -28.7709 GPRESSAVG: 2470000 32.4252 -6.43771 20.2384 -4.00294 0.920384 -92.8029 18.312 -94.5814 -29.4016 TIMING: 2470000 CPU: 7167.56, 0.00290991/step Wall: 7167.56, 0.00290991/step, 2.04502 hours remaining, 206.488281 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: 2470000 739.9051 2131.0153 1943.0536 114.6172 -206597.6034 18126.8386 0.0000 0.0000 34244.9347 -149297.2389 299.0695 -183542.1736 -149206.6984 299.7592 84.1149 118.0349 556880.0147 1.3122 1.3147 PRESSURE: 2470200 30.1124 145.327 4.15257 145.328 113.115 -199.512 4.15254 -199.51 -115.368 GPRESSURE: 2470200 74.7681 226.743 -23.2966 107.119 122.058 -207.284 -66.2297 -264.356 -70.525 PRESSAVG: 2470200 64.5097 34.7754 31.9517 34.7753 -65.727 -54.7409 31.9515 -54.7409 1.97021 GPRESSAVG: 2470200 64.0454 35.4335 31.2724 36.2766 -66.0375 -55.7086 31.8327 -55.0476 2.6685 TIMING: 2470200 CPU: 7168.14, 0.00288422/step Wall: 7168.14, 0.00288422/step, 2.0268 hours remaining, 206.488281 MB of memory in use. ENERGY: 2470200 754.0647 2116.1736 1974.7027 116.7290 -206419.0085 17990.8666 0.0000 0.0000 34286.8863 -149179.5856 299.4359 -183466.4719 -149090.6910 299.2263 9.2864 42.1002 556708.3505 0.2510 0.2255 PRESSURE: 2470400 40.6956 -42.1546 53.941 -42.1552 -171.575 69.9832 53.9419 69.9821 71.1705 GPRESSURE: 2470400 109.058 -54.7584 107.192 -65.4286 -138.001 42.033 23.3289 120.37 68.5038 PRESSAVG: 2470400 1.95368 43.5636 74.4897 43.5636 40.4568 -22.7299 74.4897 -22.7298 -23.1038 GPRESSAVG: 2470400 1.53758 42.5273 73.3894 41.598 42.1001 -24.0311 75.8433 -22.067 -24.2743 TIMING: 2470400 CPU: 7168.72, 0.00287829/step Wall: 7168.72, 0.00287829/step, 2.02248 hours remaining, 206.488281 MB of memory in use. ENERGY: 2470400 740.7750 2081.9383 1962.7519 115.7717 -206085.4493 17757.2856 0.0000 0.0000 34331.9324 -149094.9945 299.8293 -183426.9269 -149000.5697 299.8810 -19.9030 13.1867 557532.3598 6.4356 6.4544 PRESSURE: 2470600 193.329 146.329 14.7467 146.329 -127.087 123.116 14.7459 123.116 55.2397 GPRESSURE: 2470600 245.511 200.339 64.2551 90.4812 -61.8283 112.796 -60.5444 89.971 37.4067 PRESSAVG: 2470600 -4.84829 26.859 -42.8872 26.8591 7.96135 46.4568 -42.8872 46.4569 33.7026 GPRESSAVG: 2470600 -5.24106 27.9719 -42.5161 27.6056 9.23679 48.1782 -45.6604 46.5491 33.4567 TIMING: 2470600 CPU: 7169.29, 0.00288682/step Wall: 7169.29, 0.00288682/step, 2.02831 hours remaining, 206.488281 MB of memory in use. ENERGY: 2470600 740.0481 2036.6838 1954.2223 112.8381 -205668.2917 17589.4713 0.0000 0.0000 34072.2801 -149162.7480 297.5617 -183235.0282 -149064.4252 299.6178 40.4937 73.6964 555406.4532 12.2719 12.4841 PRESSURE: 2470800 -210.359 46.2875 140.219 46.2879 -368.26 70.3463 140.218 70.3468 -147.583 GPRESSURE: 2470800 -146.962 -50.4923 95.9138 64.1061 -392.592 185.256 99.1616 -37.6223 -98.0028 PRESSAVG: 2470800 -10.4681 29.153 11.1199 29.153 53.4309 65.367 11.1199 65.367 -1.92356 GPRESSAVG: 2470800 -10.6684 31.7548 12.1641 28.4132 52.7063 66.0476 13.1476 63.7021 -0.774997 TIMING: 2470800 CPU: 7169.87, 0.0028937/step Wall: 7169.87, 0.0028937/step, 2.03298 hours remaining, 206.488281 MB of memory in use. ENERGY: 2470800 766.9741 2071.1691 1962.5780 103.4526 -205883.4294 17563.0383 0.0000 0.0000 34291.4789 -149124.7385 299.4760 -183416.2174 -149031.5361 299.4410 -242.0675 -212.5189 557713.7798 13.6797 13.7543 PRESSURE: 2471000 54.1141 26.8184 -7.24052 26.8193 114.142 -0.7975 -7.24116 -0.798447 31.8783 GPRESSURE: 2471000 71.4727 41.0788 89.7858 17.7423 155.16 -8.83755 -68.7837 -41.8734 67.5237 PRESSAVG: 2471000 -45.7663 27.8702 -7.45462 27.8702 -8.62813 -12.2812 -7.45464 -12.2813 34.8913 GPRESSAVG: 2471000 -45.4164 25.8843 -5.45716 30.6289 -8.43723 -12.8929 -9.51114 -12.4398 34.9222 TIMING: 2471000 CPU: 7170.46, 0.00291739/step Wall: 7170.46, 0.00291739/step, 2.04947 hours remaining, 206.488281 MB of memory in use. ENERGY: 2471000 758.6225 2048.9580 1974.4885 101.8037 -206065.3045 17833.2119 0.0000 0.0000 34328.4793 -149019.7407 299.7991 -183348.2200 -148924.5883 299.7261 66.7114 98.0522 557443.3542 -6.5010 -6.3105 PRESSURE: 2471200 -225.064 13.9639 81.351 13.9645 67.3733 36.8383 81.3519 36.8407 40.1543 GPRESSURE: 2471200 -197.074 -16.0144 122.656 49.324 127.313 -45.501 128.348 99.7146 52.9101 PRESSAVG: 2471200 3.59247 9.77352 56.4304 9.77363 -13.7481 -0.305208 56.4303 -0.305157 20.3957 GPRESSAVG: 2471200 3.09468 8.57802 52.669 8.58038 -13.8873 -0.957631 60.0957 1.31178 21.0747 TIMING: 2471200 CPU: 7171.03, 0.00289486/step Wall: 7171.03, 0.00289486/step, 2.03348 hours remaining, 206.488281 MB of memory in use. ENERGY: 2471200 754.4279 2148.5873 1945.4696 115.3049 -205728.9584 17725.1835 0.0000 0.0000 34225.3526 -148814.6327 298.8985 -183039.9853 -148720.1507 299.7701 -39.1789 -5.6169 558303.3314 3.4133 3.4274 PRESSURE: 2471400 178.448 -83.2902 -21.4618 -83.2897 53.4349 178.542 -21.4621 178.542 -282.341 GPRESSURE: 2471400 211.713 -68.7636 -93.5416 -78.1923 48.92 196.516 94.7258 166.226 -211.043 PRESSAVG: 2471400 -7.14478 -3.9343 23.8802 -3.93421 -0.390617 -14.31 23.8802 -14.3099 -2.49944 GPRESSAVG: 2471400 -7.67737 -2.47469 26.1257 -3.70299 -0.408177 -14.6986 19.2608 -14.9504 -1.91331 TIMING: 2471400 CPU: 7171.62, 0.00290911/step Wall: 7171.62, 0.00290911/step, 2.04333 hours remaining, 206.488281 MB of memory in use. ENERGY: 2471400 728.7458 2079.1236 1928.6191 97.2044 -205534.5858 17610.6007 0.0000 0.0000 34420.5823 -148669.7099 300.6035 -183090.2922 -148571.9514 300.8066 -16.8194 16.5297 558284.5725 -3.3449 -3.3330 PRESSURE: 2471600 -116.843 -51.1407 -28.2139 -51.1411 -81.0381 217.473 -28.2136 217.474 91.7734 GPRESSURE: 2471600 -65.0516 -67.7399 -74.5001 23.9741 -41.9106 247.552 3.36774 252.577 79.9133 PRESSAVG: 2471600 34.0572 -4.70934 35.8255 -4.70947 4.96691 29.2941 35.8255 29.2941 -25.3146 GPRESSAVG: 2471600 34.9934 -2.93715 34.3886 -5.92619 4.66258 31.5503 38.6893 27.9734 -26.2021 TIMING: 2471600 CPU: 7172.19, 0.00287293/step Wall: 7172.19, 0.00287293/step, 2.01775 hours remaining, 206.750000 MB of memory in use. ENERGY: 2471600 749.5854 2030.3004 1956.9953 116.6992 -205612.0718 17639.4909 0.0000 0.0000 34450.9483 -148668.0523 300.8687 -183119.0006 -148567.1429 300.6742 -35.3694 -9.0163 556779.7054 4.5698 4.4846 PRESSURE: 2471800 -55.7546 -30.3468 -135.369 -30.3473 -337.687 13.4725 -135.37 13.4734 -9.07304 GPRESSURE: 2471800 -51.9734 -20.0797 -239.563 -41.1446 -255.563 80.1471 -94.9168 -110.329 7.04799 PRESSAVG: 2471800 -79.8997 47.565 -13.2613 47.565 -9.10235 19.077 -13.2614 19.077 70.8368 GPRESSAVG: 2471800 -79.7747 45.8323 -12.5811 48.8992 -8.2052 19.56 -14.036 18.7249 70.0288 TIMING: 2471800 CPU: 7172.77, 0.00289021/step Wall: 7172.77, 0.00289021/step, 2.02973 hours remaining, 206.750000 MB of memory in use. ENERGY: 2471800 739.2881 2121.3051 1926.8135 102.4244 -205625.7783 17494.0210 0.0000 0.0000 34329.3031 -148912.6231 299.8063 -183241.9262 -148808.4244 299.9828 -134.1714 -100.1627 557584.3807 -6.0551 -5.9837 PRESSURE: 2472000 70.2927 105.462 172.904 105.462 -166.464 -11.5792 172.905 -11.5794 -186.921 GPRESSURE: 2472000 80.6913 33.8815 121.275 38.3982 -166.006 -94.6089 198.848 12.1655 -99.5342 PRESSAVG: 2472000 -30.8501 17.979 56.902 17.9789 -29.9135 2.68059 56.902 2.68055 13.4295 GPRESSAVG: 2472000 -31.1065 16.3728 57.7417 17.709 -30.0129 0.827906 55.5507 4.86729 13.9137 TIMING: 2472000 CPU: 7173.35, 0.00288215/step Wall: 7173.35, 0.00288215/step, 2.02391 hours remaining, 206.750000 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: 2472000 776.6228 2048.8411 1944.8482 131.4911 -205794.6489 17610.4359 0.0000 0.0000 34343.6917 -148938.7180 299.9320 -183282.4098 -148836.9723 299.5634 -94.3641 -61.6162 556563.3748 -15.7780 -15.7352 PRESSURE: 2472200 -204.14 -85.7089 105.52 -85.7081 165.245 129.314 105.52 129.315 90.1074 GPRESSURE: 2472200 -98.3201 -138.582 70.6153 -78.9005 202.19 162.645 77.6133 50.7579 40.8885 PRESSAVG: 2472200 -57.2049 50.0818 50.8592 50.0818 54.7865 -9.38832 50.8592 -9.38827 25.7827 GPRESSAVG: 2472200 -56.6075 51.7404 48.5652 49.9187 54.7175 -9.59639 53.3032 -10.8587 25.1917 TIMING: 2472200 CPU: 7173.93, 0.00290324/step Wall: 7173.93, 0.00290324/step, 2.03856 hours remaining, 206.750000 MB of memory in use. ENERGY: 2472200 758.9438 2034.7989 1990.2643 108.7075 -205915.1330 17709.4484 0.0000 0.0000 34483.7558 -148829.2143 301.1552 -183312.9701 -148734.7450 300.4382 17.0708 48.2528 556597.0942 7.7881 7.7673 LDB: ============= START OF LOAD BALANCING ============== 7177.39 LDB: ============== END OF LOAD BALANCING =============== 7177.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7177.39 LDB: ============= START OF LOAD BALANCING ============== 7177.69 LDB: Largest compute 4821 load 0.033601 is 28.5% of average load 0.117759 LDB: Average compute 0.001714 is 1.5% of average load 0.117759 LDB: TIME 7177.69 LOAD: AVG 0.117759 MAX 0.178419 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.07 MB LDB: TIME 7177.69 LOAD: AVG 0.117759 MAX 0.178419 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 7177.69 LOAD: AVG 0.117759 MAX 0.178419 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7177.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7177.7 PRESSURE: 2472400 -29.417 -180.971 265.583 -180.972 118.329 20.1864 265.582 20.1862 -56.866 GPRESSURE: 2472400 -69.9979 -240.872 324.329 -166.654 224.683 46.2374 199.697 -19.4888 -39.0677 PRESSAVG: 2472400 -9.29808 -66.9031 -22.3648 -66.903 39.6939 70.4733 -22.3648 70.4733 -35.6592 GPRESSAVG: 2472400 -9.54936 -68.02 -19.752 -67.3908 40.8234 70.1558 -24.7433 71.3977 -36.5392 TIMING: 2472400 CPU: 7174.52, 0.0029691/step Wall: 7174.52, 0.0029691/step, 2.08464 hours remaining, 206.441406 MB of memory in use. ENERGY: 2472400 725.8277 2060.8921 1956.3275 106.8690 -205600.5910 17522.4094 0.0000 0.0000 34414.4179 -148813.8475 300.5497 -183228.2654 -148720.7329 300.1286 10.6822 38.5390 557339.4342 -1.7545 -1.7551 PRESSURE: 2472600 -267.536 142.371 60.3414 142.371 114.424 46.4964 60.3408 46.496 -87.865 GPRESSURE: 2472600 -224.775 124.991 42.8993 234.815 96.0535 18.1184 133.286 7.9387 -9.10626 PRESSAVG: 2472600 -29.8423 -30.3479 6.34987 -30.3479 77.4197 23.431 6.34978 23.431 -31.3205 GPRESSAVG: 2472600 -30.0681 -30.4551 5.13828 -29.9923 75.9252 22.2439 8.07512 24.214 -29.4024 TIMING: 2472600 CPU: 7175.1, 0.00289274/step Wall: 7175.1, 0.00289274/step, 2.03086 hours remaining, 206.898438 MB of memory in use. ENERGY: 2472600 759.5749 2062.4563 1971.7099 100.4381 -205858.9040 17808.9354 0.0000 0.0000 34319.5982 -148836.1912 299.7216 -183155.7894 -148740.8762 299.5698 -80.3260 -45.9427 558774.7362 5.4190 5.4849 PRESSURE: 2472800 -390.572 59.4306 -293.001 59.4293 8.84612 3.78612 -293.002 3.78468 -146.888 GPRESSURE: 2472800 -332.444 98.1255 -319.736 74.9123 36.3966 20.9054 -289.838 -1.80496 -130.529 PRESSAVG: 2472800 -45.7785 -9.7641 -54.4652 -9.76408 80.3485 5.85492 -54.4651 5.85489 -60.6259 GPRESSAVG: 2472800 -43.521 -8.46525 -54.4926 -10.7077 79.98 7.22856 -56.4528 4.51902 -62.1294 TIMING: 2472800 CPU: 7175.67, 0.00288337/step Wall: 7175.67, 0.00288337/step, 2.02413 hours remaining, 206.898438 MB of memory in use. ENERGY: 2472800 776.5465 2072.6662 1921.7711 108.7780 -205761.1574 17668.5550 0.0000 0.0000 34493.2006 -148719.6398 301.2377 -183212.8404 -148623.4357 300.4548 -176.2046 -142.1921 558877.1305 -8.6853 -8.5568 PRESSURE: 2473000 -202.963 126.868 -45.7606 126.868 -39.7494 114.642 -45.7613 114.643 -200.743 GPRESSURE: 2473000 -226.124 103.155 -19.9899 77.7373 -12.5733 123.15 -96.6051 139.445 -118.882 PRESSAVG: 2473000 -0.79261 -12.7557 7.44192 -12.7557 16.8302 96.2523 7.44183 96.2523 -30.6862 GPRESSAVG: 2473000 -1.13923 -11.6257 8.33753 -12.8594 16.5043 95.1754 9.23865 98.3492 -30.6317 TIMING: 2473000 CPU: 7176.25, 0.0028885/step Wall: 7176.25, 0.0028885/step, 2.02757 hours remaining, 206.957031 MB of memory in use. ENERGY: 2473000 753.3230 2094.9032 1953.0833 109.9699 -205386.6061 17527.9884 0.0000 0.0000 34131.7457 -148815.5927 298.0810 -182947.3384 -148716.0554 299.9351 -147.8186 -119.1933 557689.3440 -4.8829 -5.0889 PRESSURE: 2473200 435.09 -215.197 11.125 -215.197 -192.838 -256.782 11.1263 -256.781 140.101 GPRESSURE: 2473200 549.642 -230.458 -62.6396 -233.598 -180.267 -226.382 50.281 -237.253 109.813 PRESSAVG: 2473200 35.9492 -19.7447 -27.8815 -19.7448 -40.2911 47.5807 -27.8814 47.5807 -5.0847 GPRESSAVG: 2473200 36.213 -19.6814 -27.6675 -18.5666 -40.3325 49.7587 -29.0187 45.7684 -5.00504 TIMING: 2473200 CPU: 7176.83, 0.00290197/step Wall: 7176.83, 0.00290197/step, 2.03686 hours remaining, 206.957031 MB of memory in use. ENERGY: 2473200 753.7875 2121.8342 1984.6213 108.3026 -206124.7225 17888.3050 0.0000 0.0000 34298.4252 -148969.4466 299.5367 -183267.8718 -148870.9206 299.6863 127.4510 159.7291 556531.8486 -3.1422 -3.0415 PRESSURE: 2473400 123.348 168.471 -26.0483 168.472 -52.5637 -10.9066 -26.0487 -10.9043 -178.552 GPRESSURE: 2473400 171.24 178.346 17.1606 122.737 -34.7213 72.042 -67.9894 -92.3077 -155.536 PRESSAVG: 2473400 44.5644 5.2818 -12.6367 5.28177 9.10769 -28.2349 -12.6366 -28.2348 -58.0696 GPRESSAVG: 2473400 44.4686 3.69095 -13.758 4.67826 8.20395 -29.286 -11.947 -27.0432 -56.9338 TIMING: 2473400 CPU: 7177.41, 0.00289744/step Wall: 7177.41, 0.00289744/step, 2.03352 hours remaining, 206.957031 MB of memory in use. ENERGY: 2473400 765.1220 2127.6066 1956.2452 116.2619 -205826.7556 17616.6460 0.0000 0.0000 34399.1906 -148845.6834 300.4167 -183244.8740 -148751.6756 299.7400 -35.9226 -6.3391 557504.0678 -1.4658 -1.4204 PRESSURE: 2473600 164.634 0.72436 -64.6062 0.723987 161.149 -103.312 -64.6053 -103.313 228.99 GPRESSURE: 2473600 255.533 -47.9448 -46.8258 67.2619 142.903 -210.095 -68.5089 -5.99132 246.71 PRESSAVG: 2473600 -34.1476 52.1047 -3.34429 52.1047 63.5566 -2.69397 -3.34432 -2.69405 -34.7914 GPRESSAVG: 2473600 -35.5624 53.2021 -3.23614 52.4939 65.1936 -5.0252 -2.91597 -1.9145 -35.2037 TIMING: 2473600 CPU: 7177.99, 0.00289274/step Wall: 7177.99, 0.00289274/step, 2.03006 hours remaining, 206.957031 MB of memory in use. ENERGY: 2473600 751.4209 2163.1087 1968.8876 112.3409 -205943.6399 17893.5842 0.0000 0.0000 34156.4328 -148897.8648 298.2966 -183054.2976 -148800.5552 299.7184 184.9245 215.0487 554921.6097 -1.7941 -1.8575 PRESSURE: 2473800 -15.7754 56.3333 -316.621 56.334 -73.5202 -68.6412 -316.62 -68.6419 -266.783 GPRESSURE: 2473800 -38.0852 128.287 -371.167 -17.7596 -26.7296 -0.848729 -245.542 -112.067 -185.281 PRESSAVG: 2473800 46.8967 17.5524 -74.6879 17.5524 2.83251 -57.4262 -74.6879 -57.4262 -4.66885 GPRESSAVG: 2473800 45.7903 16.1917 -75.485 18.243 2.78984 -56.0886 -73.7491 -58.4745 -3.72182 TIMING: 2473800 CPU: 7178.57, 0.00288704/step Wall: 7178.57, 0.00288704/step, 2.0259 hours remaining, 206.957031 MB of memory in use. ENERGY: 2473800 796.1429 2139.9819 1949.7798 118.9524 -205839.5561 17733.1414 0.0000 0.0000 34242.5704 -148858.9874 299.0489 -183101.5578 -148767.0073 299.9116 -118.6930 -83.3651 557808.7377 15.0201 14.9528 PRESSURE: 2474000 -15.2827 27.4097 126.141 27.4113 -111.628 -119.554 126.14 -119.553 49.0066 GPRESSURE: 2474000 26.0783 82.1451 120.102 49.2908 -52.8245 -100.764 139.459 -158.354 51.287 PRESSAVG: 2474000 -5.50184 27.2972 -64.5037 27.2971 -2.73781 -5.82794 -64.5037 -5.82793 -16.1056 GPRESSAVG: 2474000 -5.14763 28.4245 -64.9549 28.3294 -3.23177 -5.70925 -65.0421 -5.63753 -15.545 TIMING: 2474000 CPU: 7179.15, 0.00289915/step Wall: 7179.15, 0.00289915/step, 2.03424 hours remaining, 206.957031 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: 2474000 774.5104 2076.0669 1965.4205 116.3449 -206068.9176 17806.1005 0.0000 0.0000 34418.9259 -148911.5484 300.5890 -183330.4743 -148815.4214 300.2746 -25.9681 8.1803 558140.7720 -8.1151 -7.9748 PRESSURE: 2474200 22.0915 231.161 264.546 231.161 -74.7513 -68.4394 264.547 -68.439 87.5073 GPRESSURE: 2474200 -4.27498 232.546 300.331 166.899 0.38982 -141.126 250.878 -51.2341 135.039 PRESSAVG: 2474200 -21.0448 59.9603 -64.6045 59.9603 46.6141 -45.6492 -64.6046 -45.6493 22.3598 GPRESSAVG: 2474200 -19.7438 58.2571 -65.1944 55.9779 47.6231 -45.8899 -63.7982 -46.9621 20.1084 TIMING: 2474200 CPU: 7179.73, 0.00290438/step Wall: 7179.73, 0.00290438/step, 2.03774 hours remaining, 206.957031 MB of memory in use. ENERGY: 2474200 748.8377 2119.4292 1976.9165 122.4061 -205963.1017 17717.4432 0.0000 0.0000 34504.3343 -148773.7347 301.3349 -183278.0690 -148681.3368 300.0839 11.6159 43.7178 557773.7809 15.9764 15.9959 PRESSURE: 2474400 130.224 -98.8524 54.6418 -98.8509 4.48278 10.981 54.6423 10.9819 156.84 GPRESSURE: 2474400 112.319 -47.9872 88.8408 -90.5215 32.3523 64.0197 51.757 6.34183 237.367 PRESSAVG: 2474400 -35.9202 21.9471 20.6441 21.947 11.0761 -44.4707 20.6441 -44.4706 28.7574 GPRESSAVG: 2474400 -37.4749 25.3133 22.2934 22.6775 10.7319 -43.1394 20.7813 -45.2097 30.6765 TIMING: 2474400 CPU: 7180.31, 0.00289946/step Wall: 7180.31, 0.00289946/step, 2.03413 hours remaining, 206.957031 MB of memory in use. ENERGY: 2474400 780.6383 2092.2318 1963.2604 101.2352 -206037.9452 17955.1698 0.0000 0.0000 34483.6872 -148661.7225 301.1546 -183145.4097 -148559.9169 300.8636 97.1822 127.3462 558149.3412 1.3044 1.3112 PRESSURE: 2474600 48.8393 67.8856 105.62 67.8862 -179.17 131.237 105.62 131.237 -114.726 GPRESSURE: 2474600 110.941 143.868 70.8287 45.6711 -203.573 31.3407 51.8086 183.655 -50.1184 PRESSAVG: 2474600 31.1725 24.0407 37.8139 24.0407 11.212 -17.1131 37.8139 -17.113 -42.6878 GPRESSAVG: 2474600 32.9206 24.0932 37.4921 25.5784 10.2463 -17.9402 35.8714 -16.9141 -43.3873 TIMING: 2474600 CPU: 7180.89, 0.00288953/step Wall: 7180.89, 0.00288953/step, 2.027 hours remaining, 206.957031 MB of memory in use. ENERGY: 2474600 797.4224 2093.6290 1953.6645 104.0454 -206026.4550 17766.6217 0.0000 0.0000 34350.5535 -148960.5186 299.9919 -183311.0721 -148861.0825 300.4596 -81.6858 -47.5835 559127.5650 -0.1011 -0.0734 PRESSURE: 2474800 -153.011 -18.3598 -5.02648 -18.3598 -68.1923 -11.4307 -5.02641 -11.4308 -118.088 GPRESSURE: 2474800 -124.86 -80.3702 -5.64161 -9.27578 -80.1013 102.445 28.0776 -61.4181 -35.2725 PRESSAVG: 2474800 10.1687 -7.40414 15.9406 -7.40415 35.3311 45.7495 15.9407 45.7496 -21.3993 GPRESSAVG: 2474800 9.91861 -8.22986 15.1519 -8.90581 35.5118 44.7945 17.2358 46.6869 -21.4555 TIMING: 2474800 CPU: 7181.47, 0.00290368/step Wall: 7181.47, 0.00290368/step, 2.03677 hours remaining, 206.957031 MB of memory in use. ENERGY: 2474800 817.9315 2139.8431 1962.4289 111.9264 -206145.5066 17779.3842 0.0000 0.0000 34399.0945 -148934.8980 300.4158 -183333.9925 -148839.7835 299.7280 -113.0974 -80.0780 557874.2913 8.0335 7.9917 PRESSURE: 2475000 -452.408 46.9965 -84.9153 46.9962 -443.094 7.75867 -84.9149 7.75808 -512.941 GPRESSURE: 2475000 -401.118 -34.1599 -10.7599 67.408 -455.698 -21.7668 -104.502 -7.70712 -465.874 PRESSAVG: 2475000 12.7176 -42.9509 34.2933 -42.9509 -37.2577 44.8176 34.2934 44.8175 -21.076 GPRESSAVG: 2475000 13.3879 -42.4728 35.3513 -41.3189 -36.1253 46.7885 35.5227 43.4055 -22.2628 TIMING: 2475000 CPU: 7182.05, 0.00289186/step Wall: 7182.05, 0.00289186/step, 2.02832 hours remaining, 206.957031 MB of memory in use. ENERGY: 2475000 785.0151 2109.5187 1976.9752 107.8713 -205590.2066 17117.0146 0.0000 0.0000 34524.3188 -148969.4929 301.5095 -183493.8118 -148871.9970 300.6136 -469.4811 -440.8969 558611.5365 -15.2054 -15.0001 PRESSURE: 2475200 12.1947 -59.1284 -244.433 -59.1279 -66.7591 67.4674 -244.434 67.4665 122.031 GPRESSURE: 2475200 37.7824 -52.3171 -194.068 -72.4182 -41.4805 -3.95066 -230.834 47.3325 167.619 PRESSAVG: 2475200 47.347 -22.5836 -24.7501 -22.5836 14.6103 43.5871 -24.7501 43.587 -32.6798 GPRESSAVG: 2475200 46.3976 -24.5504 -23.1112 -21.6323 14.7035 43.8561 -26.5587 43.6737 -31.5212 TIMING: 2475200 CPU: 7182.63, 0.00290016/step Wall: 7182.63, 0.00290016/step, 2.03398 hours remaining, 206.980469 MB of memory in use. ENERGY: 2475200 751.9360 2134.3900 2008.7874 118.5190 -206259.1109 17746.3620 0.0000 0.0000 34438.4411 -149060.6754 300.7595 -183499.1165 -148974.4542 300.1309 22.4888 54.6403 555319.0282 9.7592 9.8600 PRESSURE: 2475400 32.7135 -43.8596 48.4383 -43.8579 -77.9755 55.6873 48.4387 55.6871 114.298 GPRESSURE: 2475400 68.5526 -28.0637 55.2627 -56.4816 -54.6879 -28.7865 58.2458 53.5075 170.399 PRESSAVG: 2475400 -21.2486 33.0428 -13.1131 33.0428 -22.0154 -4.74328 -13.113 -4.7432 32.5157 GPRESSAVG: 2475400 -20.6778 33.737 -14.3435 31.4776 -21.3674 -4.60252 -11.2315 -4.61148 31.8008 TIMING: 2475400 CPU: 7183.21, 0.00289776/step Wall: 7183.21, 0.00289776/step, 2.03214 hours remaining, 206.980469 MB of memory in use. ENERGY: 2475400 742.6618 2112.1791 1980.2284 108.7093 -206081.2099 17731.8227 0.0000 0.0000 34342.4348 -149063.1739 299.9210 -183405.6086 -148961.6829 299.5189 23.0122 61.4212 556750.4847 -3.5827 -3.4148 PRESSURE: 2475600 -335.405 -1.45621 15.7674 -1.45521 -173.787 128.676 15.7684 128.675 72.6241 GPRESSURE: 2475600 -264.541 -0.395222 86.9091 -32.8649 -161.597 93.7307 -59.2603 191.932 92.9655 PRESSAVG: 2475600 -59.8782 19.0975 -33.3707 19.0975 -17.4702 -19.4423 -33.3707 -19.4425 31.6543 GPRESSAVG: 2475600 -59.9363 19.3847 -35.8592 19.4808 -17.8076 -20.7778 -34.7453 -19.2762 32.1704 TIMING: 2475600 CPU: 7183.78, 0.00289647/step Wall: 7183.78, 0.00289647/step, 2.03107 hours remaining, 206.980469 MB of memory in use. ENERGY: 2475600 772.9100 2072.4047 1933.2764 119.7139 -206148.0572 17771.4291 0.0000 0.0000 34456.7523 -149021.5708 300.9194 -183478.3231 -148922.1314 299.1531 -145.5226 -111.0575 558300.8121 -15.2314 -15.1912 PRESSURE: 2475800 -160.276 73.3918 -8.83023 73.3914 28.5296 116.672 -8.82973 116.673 -88.7324 GPRESSURE: 2475800 -122.467 124.164 -121.387 19.164 -7.2294 62.3418 11.1442 242.31 10.5144 PRESSAVG: 2475800 10.6241 -8.92376 5.09462 -8.92368 53.3831 48.2908 5.09465 48.2908 -50.2397 GPRESSAVG: 2475800 11.126 -9.67001 7.63687 -8.91541 53.5326 48.5544 7.28203 48.513 -50.7987 TIMING: 2475800 CPU: 7184.36, 0.00288882/step Wall: 7184.36, 0.00288882/step, 2.02555 hours remaining, 206.980469 MB of memory in use. ENERGY: 2475800 764.9129 2059.9803 1960.6965 116.7605 -205746.8080 17570.5084 0.0000 0.0000 34367.7873 -148906.1622 300.1424 -183273.9494 -148809.5364 299.9899 -73.4929 -39.7273 557515.1703 4.5892 4.6200 PRESSURE: 2476000 -175.533 119.156 79.1469 119.156 -144.713 17.6188 79.1459 17.6177 63.4842 GPRESSURE: 2476000 -110.641 49.519 -23.0948 179.14 -134.092 17.4232 138.861 54.7821 87.6887 PRESSAVG: 2476000 -13.2812 -0.636553 -20.4012 -0.636594 -38.0971 -5.95135 -20.4011 -5.95134 46.131 GPRESSAVG: 2476000 -13.9637 0.148634 -20.7837 0.664378 -37.8639 -6.66391 -20.3243 -6.72431 46.505 TIMING: 2476000 CPU: 7184.94, 0.00289134/step Wall: 7184.94, 0.00289134/step, 2.02715 hours remaining, 206.980469 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: 2476000 736.7902 2115.3831 1969.6959 96.8888 -205690.6454 17533.8372 0.0000 0.0000 34361.7959 -148876.2544 300.0901 -183238.0503 -148780.1360 299.9107 -85.5873 -52.3479 557897.4524 -1.7491 -1.7742 PRESSURE: 2476200 -25.1754 78.2708 -109.589 78.2711 53.0989 -130.519 -109.588 -130.521 69.8194 GPRESSURE: 2476200 -23.1976 112.477 -14.535 47.7528 120.595 -168.226 -84.2239 -30.5322 110.854 PRESSAVG: 2476200 -25.9237 14.0707 35.8177 14.0707 4.43348 -34.765 35.8177 -34.7651 13.758 GPRESSAVG: 2476200 -25.5887 14.7109 35.8649 12.1321 4.10346 -35.3486 34.791 -34.5169 13.3344 TIMING: 2476200 CPU: 7185.52, 0.00290551/step Wall: 7185.52, 0.00290551/step, 2.03693 hours remaining, 206.980469 MB of memory in use. ENERGY: 2476200 755.0775 2070.4062 1950.0076 111.8788 -205907.3134 17761.2391 0.0000 0.0000 34251.5630 -149007.1411 299.1274 -183258.7042 -148910.1629 299.7821 32.5810 69.4172 556956.9690 -2.5774 -2.7169 LDB: ============= START OF LOAD BALANCING ============== 7188.99 LDB: ============== END OF LOAD BALANCING =============== 7188.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7188.99 LDB: ============= START OF LOAD BALANCING ============== 7189.28 LDB: Largest compute 4821 load 0.032967 is 28.0% of average load 0.117747 LDB: Average compute 0.001719 is 1.5% of average load 0.117747 LDB: TIME 7189.28 LOAD: AVG 0.117747 MAX 0.177723 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.156 MB LDB: TIME 7189.28 LOAD: AVG 0.117747 MAX 0.177723 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: TIME 7189.28 LOAD: AVG 0.117747 MAX 0.177723 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: ============== END OF LOAD BALANCING =============== 7189.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7189.29 PRESSURE: 2476400 193.127 -88.8055 -25.1884 -88.8063 5.40509 -63.6245 -25.1891 -63.6252 -203.404 GPRESSURE: 2476400 198.115 -123.507 6.0372 -16.0887 78.4975 -66.7364 -30.9175 -53.2371 -195.833 PRESSAVG: 2476400 35.7528 49.8254 12.7274 49.8254 26.2689 -65.7179 12.7274 -65.7179 -94.4686 GPRESSAVG: 2476400 35.8926 49.7095 13.1323 49.0033 25.8953 -63.6459 11.1556 -67.0609 -94.817 TIMING: 2476400 CPU: 7186.11, 0.00295533/step Wall: 7186.11, 0.00295533/step, 2.07169 hours remaining, 204.597656 MB of memory in use. ENERGY: 2476400 796.9959 2105.6737 1963.4138 117.5608 -206243.8521 17914.1470 0.0000 0.0000 34524.5004 -148821.5604 301.5110 -183346.0607 -148722.8910 300.0779 -1.6238 26.9266 556863.6854 -10.8156 -11.0097 PRESSURE: 2476600 -76.2127 5.9512 -78.1021 5.95093 -44.3681 -107.729 -78.104 -107.728 -115.827 GPRESSURE: 2476600 -0.578109 19.1276 -47.0381 41.2941 -15.9514 -208.031 -63.6634 -57.2364 -119.009 PRESSAVG: 2476600 64.5169 -39.8093 9.72544 -39.8093 33.1126 -30.2351 9.72535 -30.2351 -43.1741 GPRESSAVG: 2476600 63.1848 -40.2655 9.4335 -41.0271 33.1313 -32.7048 8.41887 -29.4797 -42.578 TIMING: 2476600 CPU: 7186.69, 0.00288003/step Wall: 7186.69, 0.00288003/step, 2.01874 hours remaining, 204.597656 MB of memory in use. ENERGY: 2476600 781.7796 2101.8881 1968.6551 108.6520 -206160.9553 17834.7577 0.0000 0.0000 34532.1073 -148833.1155 301.5775 -183365.2228 -148736.6194 301.2300 -78.8025 -45.1794 556675.2170 18.1518 17.9127 PRESSURE: 2476800 155.766 218.127 29.9753 218.127 50.9484 50.2058 29.9759 50.206 -62.0664 GPRESSURE: 2476800 172.485 197.473 64.5551 190.603 96.239 70.1443 -43.9271 22.6274 -38.6961 PRESSAVG: 2476800 52.3968 46.6451 54.5433 46.6451 -11.3757 -20.8044 54.5432 -20.8043 -28.8418 GPRESSAVG: 2476800 51.909 45.2761 54.3163 47.6191 -11.5138 -18.0687 57.8081 -22.1765 -28.4842 TIMING: 2476800 CPU: 7187.26, 0.0028762/step Wall: 7187.26, 0.0028762/step, 2.0159 hours remaining, 204.597656 MB of memory in use. ENERGY: 2476800 773.0397 2121.8911 1954.5097 109.9520 -205908.5930 17839.9084 0.0000 0.0000 34321.9235 -148787.3687 299.7419 -183109.2922 -148688.2839 300.8603 48.2160 76.6759 557795.6718 4.0598 3.9703 PRESSURE: 2477000 -95.8196 13.6842 49.9583 13.684 24.9846 15.2401 49.9579 15.2393 314.774 GPRESSURE: 2477000 -97.5238 -56.7678 -30.5862 49.3985 81.6716 -16.0348 33.6192 -24.4535 351.561 PRESSAVG: 2477000 -75.0461 -25.1368 75.1739 -25.1367 66.8109 50.289 75.1739 50.2889 -32.0542 GPRESSAVG: 2477000 -74.4022 -26.3995 75.15 -22.6996 66.3627 48.099 73.2507 50.9144 -31.6791 TIMING: 2477000 CPU: 7187.84, 0.00288055/step Wall: 7187.84, 0.00288055/step, 2.01879 hours remaining, 204.597656 MB of memory in use. ENERGY: 2477000 739.4074 2097.2350 1974.6340 126.4102 -205914.0016 17720.5057 0.0000 0.0000 34364.0887 -148891.7205 300.1101 -183255.8093 -148790.8825 300.2832 81.3130 111.9030 557441.4344 -13.4298 -13.2395 PRESSURE: 2477200 186.818 -76.6254 -27.125 -76.6248 72.7441 -5.36642 -27.1236 -5.36732 -95.522 GPRESSURE: 2477200 208.274 23.0204 -33.9988 -60.5622 83.2968 -61.9169 -12.6206 110.535 -31.8494 PRESSAVG: 2477200 -36.7221 9.5377 23.5679 9.53767 10.413 9.07803 23.568 9.07807 1.92805 GPRESSAVG: 2477200 -36.6269 11.4455 24.5521 9.43839 10.7036 9.79899 23.2378 8.22508 0.850487 TIMING: 2477200 CPU: 7188.42, 0.00288943/step Wall: 7188.42, 0.00288943/step, 2.02485 hours remaining, 204.597656 MB of memory in use. ENERGY: 2477200 730.0506 2086.8556 1970.0535 111.1487 -205870.5704 17623.5284 0.0000 0.0000 34324.9261 -149024.0075 299.7681 -183348.9336 -148928.7544 299.6825 54.6799 86.5739 556841.0611 -8.1270 -8.3576 PRESSURE: 2477400 -215.611 124.031 196.13 124.031 -78.8376 -107.393 196.13 -107.392 11.0421 GPRESSURE: 2477400 -199.152 158.695 158.282 37.188 -59.0183 -55.7423 217.05 -166.365 72.5659 PRESSAVG: 2477400 -61.9401 19.1701 17.301 19.1702 16.74 7.9829 17.301 7.98294 6.2889 GPRESSAVG: 2477400 -62.5659 20.3221 17.78 15.0383 16.2218 7.22198 18.9247 9.60505 7.30753 TIMING: 2477400 CPU: 7189, 0.00290835/step Wall: 7189, 0.00290835/step, 2.03795 hours remaining, 204.597656 MB of memory in use. ENERGY: 2477400 753.7556 2132.2329 1951.9733 112.5278 -205572.7494 17571.1620 0.0000 0.0000 34177.7822 -148873.3157 298.4831 -183051.0978 -148776.5301 299.5477 -94.4690 -61.8682 559104.0138 -12.9704 -13.0122 PRESSURE: 2477600 133.524 97.2103 21.8095 97.2094 109.507 195.106 21.8098 195.107 112.665 GPRESSURE: 2477600 93.4964 -30.2285 0.376468 119.499 132.825 77.5904 15.1043 218.367 226.654 PRESSAVG: 2477600 -21.8198 1.38992 98.8587 1.38996 -8.3917 41.8499 98.8587 41.85 34.6357 GPRESSAVG: 2477600 -20.9904 -0.880342 98.6583 2.99271 -7.7922 40.7179 98.1448 41.01 33.5234 TIMING: 2477600 CPU: 7189.58, 0.00289209/step Wall: 7189.58, 0.00289209/step, 2.02639 hours remaining, 204.597656 MB of memory in use. ENERGY: 2477600 728.9359 2183.5667 1964.9034 116.4625 -206056.8669 17834.7395 0.0000 0.0000 34409.1874 -148819.0714 300.5040 -183228.2588 -148723.4795 300.2649 118.5652 150.9918 557675.8749 1.4747 1.5803 PRESSURE: 2477800 65.7646 102.251 -35.1408 102.251 -223.691 11.2328 -35.1392 11.2317 -44.8525 GPRESSURE: 2477800 102.961 204.531 -87.6742 59.1117 -168.951 -34.9325 -27.2694 52.4397 -38.9129 PRESSAVG: 2477800 43.5761 34.6343 27.891 34.6343 -31.884 -49.4834 27.8909 -49.4834 8.25993 GPRESSAVG: 2477800 42.9762 35.5047 26.3953 34.0558 -32.7482 -48.7262 29.1443 -49.1313 9.43701 TIMING: 2477800 CPU: 7190.16, 0.00290103/step Wall: 7190.16, 0.00290103/step, 2.03249 hours remaining, 204.597656 MB of memory in use. ENERGY: 2477800 798.5773 2055.9087 1973.3926 122.2012 -205677.3461 17527.4070 0.0000 0.0000 34348.7009 -148851.1583 299.9757 -183199.8592 -148753.0306 300.6037 -67.5930 -34.9677 556752.7444 6.6507 6.5550 PRESSURE: 2478000 104.725 18.5628 -47.9875 18.5633 -13.4823 -90.8657 -47.9877 -90.8656 -186.065 GPRESSURE: 2478000 151.452 22.9935 12.6353 10.2606 39.6518 -118.463 -57.5676 -103.074 -196.157 PRESSAVG: 2478000 -21.2841 -10.1432 24.7832 -10.1432 -36.9821 -14.1156 24.7833 -14.1156 49.5105 GPRESSAVG: 2478000 -21.3026 -10.3293 25.2623 -8.51458 -36.1817 -12.3837 24.8114 -17.2011 48.7291 TIMING: 2478000 CPU: 7190.74, 0.00288741/step Wall: 7190.74, 0.00288741/step, 2.02279 hours remaining, 204.597656 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: 2478000 761.4117 2103.2007 1971.9411 112.6264 -206114.6266 17825.7526 0.0000 0.0000 34466.4588 -148873.2354 301.0042 -183339.6941 -148778.2510 301.5850 -31.6074 -1.6844 559181.0930 -2.9186 -2.9184 PRESSURE: 2478200 28.2208 -44.3369 73.5669 -44.3353 173.443 109.243 73.5661 109.242 250.562 GPRESSURE: 2478200 37.8579 -97.0582 69.3152 -20.8823 231.249 134.916 181.872 105.672 279.369 PRESSAVG: 2478200 40.6126 44.0319 -9.37592 44.032 -5.67428 0.610329 -9.37592 0.61032 -27.392 GPRESSAVG: 2478200 40.031 43.0495 -8.49318 44.4894 -6.11658 -1.68219 -10.1156 2.83165 -25.8437 TIMING: 2478200 CPU: 7191.31, 0.00288061/step Wall: 7191.31, 0.00288061/step, 2.01786 hours remaining, 204.597656 MB of memory in use. ENERGY: 2478200 741.5141 2169.5885 1960.0469 117.5773 -206454.8676 18194.0974 0.0000 0.0000 34286.2193 -148985.8241 299.4301 -183272.0434 -148889.8248 300.7509 150.7420 182.8254 558089.3329 2.5155 2.6903 PRESSURE: 2478400 -94.9336 33.0814 -16.6665 33.0822 29.9787 163.15 -16.6659 163.149 -49.5881 GPRESSURE: 2478400 -69.4172 13.191 -44.3342 50.8612 54.6671 195.614 -34.2732 160.141 15.0201 PRESSAVG: 2478400 34.7329 8.58862 53.1856 8.58853 -27.3866 17.2248 53.1856 17.2249 -7.78052 GPRESSAVG: 2478400 35.742 8.24453 52.3796 8.25771 -26.9432 18.5744 52.6864 17.7279 -9.43347 TIMING: 2478400 CPU: 7191.88, 0.00286026/step Wall: 7191.88, 0.00286026/step, 2.00345 hours remaining, 204.597656 MB of memory in use. ENERGY: 2478400 754.0978 2055.1448 1954.4747 116.0532 -206077.0415 17568.3945 0.0000 0.0000 34446.2061 -149182.6705 300.8273 -183628.8766 -149085.3329 300.3762 -38.1810 0.0900 556740.9537 -0.1448 -0.2116 PRESSURE: 2478600 171.664 -15.5404 -67.2453 -15.5392 74.6346 146.822 -67.2461 146.823 -86.3309 GPRESSURE: 2478600 165.635 33.3922 -90.7471 -63.4794 117.596 204.766 -137.615 70.7781 -19.4012 PRESSAVG: 2478600 -11.8464 24.2741 -25.604 24.274 -74.2008 67.9749 -25.6041 67.9749 64.1037 GPRESSAVG: 2478600 -14.0963 24.9534 -23.4433 25.2222 -74.3403 69.2547 -24.7585 65.7061 66.0982 TIMING: 2478600 CPU: 7192.46, 0.00287831/step Wall: 7192.46, 0.00287831/step, 2.01594 hours remaining, 204.597656 MB of memory in use. ENERGY: 2478600 753.3996 2100.5484 1960.1102 116.9926 -206235.9028 17875.6610 0.0000 0.0000 34299.8874 -149129.3037 299.5494 -183429.1911 -149024.8023 299.8009 53.3224 87.9435 557365.8665 -7.3145 -7.4462 PRESSURE: 2478800 -124.388 -59.6134 161.889 -59.6129 -187.708 -88.2044 161.889 -88.2029 -60.4133 GPRESSURE: 2478800 -94.5138 -96.6202 83.8415 -29.4503 -171.18 -23.9409 182.748 -106.231 -2.26387 PRESSAVG: 2478800 0.289343 -30.4895 21.1595 -30.4895 -123.932 51.2839 21.1596 51.284 97.1294 GPRESSAVG: 2478800 0.729599 -28.2226 20.9368 -31.4051 -123.479 51.0379 20.4645 52.4548 95.9824 TIMING: 2478800 CPU: 7193.03, 0.00287116/step Wall: 7193.03, 0.00287116/step, 2.01077 hours remaining, 204.597656 MB of memory in use. ENERGY: 2478800 762.9315 2104.6889 1959.7609 114.6695 -206092.5739 17721.8316 0.0000 0.0000 34338.9638 -149089.7277 299.8907 -183428.6916 -148995.3469 299.4901 -124.1697 -89.3192 557568.6249 -8.8376 -8.9222 PRESSURE: 2479000 16.1498 -58.6765 -56.1653 -58.6762 -26.8083 -59.1736 -56.1658 -59.1734 317.657 GPRESSURE: 2479000 74.4689 -127.031 -117.746 51.9266 21.2391 -31.4018 -35.5642 -86.9046 300.448 PRESSAVG: 2479000 -11.0885 20.5462 1.72739 20.5462 -9.53521 -2.1314 1.72738 -2.13127 56.1853 GPRESSAVG: 2479000 -9.21061 19.3996 0.551337 22.2494 -10.3122 -2.52278 3.11705 -3.46536 55.4302 TIMING: 2479000 CPU: 7193.61, 0.00290274/step Wall: 7193.61, 0.00290274/step, 2.03272 hours remaining, 204.597656 MB of memory in use. ENERGY: 2479000 718.8271 2079.1396 1942.3656 108.5475 -205967.4635 17618.1546 0.0000 0.0000 34156.7344 -149343.6946 298.2993 -183500.4291 -149241.3661 298.7595 102.3329 132.0521 556364.8364 11.8539 11.9691 PRESSURE: 2479200 186.055 64.8852 -115.242 64.8863 137.486 -17.4564 -115.242 -17.4565 -29.8213 GPRESSURE: 2479200 198.027 87.5825 -5.2764 -23.7617 198.77 -62.3013 -174.746 60.2568 10.1664 PRESSAVG: 2479200 -0.758722 43.0168 14.5391 43.0169 41.7371 -57.1249 14.5391 -57.1248 -34.3008 GPRESSAVG: 2479200 -0.845534 42.4178 17.5916 42.1708 40.5734 -56.915 11.7098 -56.1895 -32.5619 TIMING: 2479200 CPU: 7194.19, 0.00289447/step Wall: 7194.19, 0.00289447/step, 2.02677 hours remaining, 204.597656 MB of memory in use. ENERGY: 2479200 731.5714 2070.8401 1947.5243 111.7784 -206226.3572 17825.0794 0.0000 0.0000 34313.5467 -149226.0169 299.6687 -183539.5635 -149130.6749 299.5496 97.9065 135.6544 557103.3385 2.2259 2.3886 PRESSURE: 2479400 390.437 -41.5338 -166.769 -41.5338 132.526 99.9196 -166.768 99.917 208.81 GPRESSURE: 2479400 378.164 16.9009 -259.149 -93.2284 153.437 118.925 -69.377 25.8873 297.306 PRESSAVG: 2479400 -23.9004 45.274 -14.6235 45.2739 -68.4753 -30.3235 -14.6235 -30.3234 30.0077 GPRESSAVG: 2479400 -24.3462 44.8384 -18.0683 45.9982 -67.8382 -31.9126 -13.1188 -29.8138 29.9888 TIMING: 2479400 CPU: 7194.78, 0.00294317/step Wall: 7194.78, 0.00294317/step, 2.06071 hours remaining, 204.597656 MB of memory in use. ENERGY: 2479400 728.5283 2091.8350 1963.5595 121.8383 -206229.7273 18035.1759 0.0000 0.0000 34230.7385 -149058.0518 298.9456 -183288.7903 -148964.9819 299.2955 243.9246 276.3022 555275.1354 -20.7893 -20.7319 PRESSURE: 2479600 -147.747 -17.6124 -20.4272 -17.6119 -286.762 -126.549 -20.4264 -126.547 76.8369 GPRESSURE: 2479600 -142.354 -55.0305 -10.257 -107.708 -246.893 -166.789 30.6822 -85.7709 125.12 PRESSAVG: 2479600 -20.1019 53.7693 -54.9343 53.7693 -76.9927 -12.4208 -54.9344 -12.4208 103.641 GPRESSAVG: 2479600 -19.1691 54.4868 -54.0369 51.9182 -75.853 -11.3186 -53.697 -12.4839 102.555 TIMING: 2479600 CPU: 7195.37, 0.00295656/step Wall: 7195.37, 0.00295656/step, 2.06992 hours remaining, 204.597656 MB of memory in use. ENERGY: 2479600 716.8762 2066.4386 1964.9080 113.1680 -205418.9810 17356.9454 0.0000 0.0000 34153.4463 -149047.1984 298.2705 -183200.6448 -148952.6524 299.6348 -119.2241 -88.0423 557817.8674 2.1822 2.5111 PRESSURE: 2479800 13.6458 110.449 45.7001 110.45 -56.8512 -185.493 45.6991 -185.495 165.047 GPRESSURE: 2479800 -47.5058 74.3134 42.4593 75.263 -0.0748626 -160.159 -21.4249 -200.451 255.275 PRESSAVG: 2479800 -39.9259 40.449 9.91296 40.449 -39.9173 -5.00519 9.91301 -5.00526 85.0786 GPRESSAVG: 2479800 -40.8886 39.4511 9.66388 41.0914 -39.6554 -6.13849 8.01556 -3.32441 85.8756 TIMING: 2479800 CPU: 7195.96, 0.00293347/step Wall: 7195.96, 0.00293347/step, 2.05359 hours remaining, 204.597656 MB of memory in use. ENERGY: 2479800 743.2517 2125.9874 1947.0355 113.7543 -206342.8694 17899.1098 0.0000 0.0000 34414.9389 -149098.7919 300.5542 -183513.7308 -148996.7053 299.3424 40.6138 69.2314 557420.4023 1.7451 1.7772 PRESSURE: 2480000 -78.1391 -73.0224 298.812 -73.0225 -88.3371 104.311 298.813 104.308 97.4638 GPRESSURE: 2480000 -24.9626 -64.4686 268.035 -59.2827 -81.4656 132.364 341.256 61.9365 131.274 PRESSAVG: 2480000 -59.5745 -12.4829 68.9957 -12.4829 -21.7422 -68.4161 68.9956 -68.4161 88.3862 GPRESSAVG: 2480000 -59.1747 -11.2405 68.8641 -11.6657 -21.8924 -68.1612 68.3366 -70.0147 88.0494 TIMING: 2480000 CPU: 7196.54, 0.00291877/step Wall: 7196.54, 0.00291877/step, 2.04314 hours remaining, 204.597656 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: 2480000 739.1615 2133.2467 1981.5531 107.1215 -205734.4012 17389.4523 0.0000 0.0000 34269.8341 -149114.0320 299.2870 -183383.8661 -149014.4011 299.7468 -23.0041 8.2819 556350.0071 2.3565 2.3274 PRESSURE: 2480200 284.339 -134.197 -24.034 -134.197 -59.4949 59.2562 -24.0346 59.2561 -145.994 GPRESSURE: 2480200 288.126 -74.3811 -12.8586 -95.4913 -13.2253 48.2383 -25.2693 36.2696 -94.1015 PRESSAVG: 2480200 -14.467 -16.2665 14.06 -16.2664 -30.7849 27.1959 14.06 27.196 19.1028 GPRESSAVG: 2480200 -14.0546 -17.1208 15.1875 -16.0248 -30.8606 29.1076 14.4899 24.718 18.2991 TIMING: 2480200 CPU: 7197.13, 0.00292569/step Wall: 7197.13, 0.00292569/step, 2.04782 hours remaining, 204.597656 MB of memory in use. ENERGY: 2480200 724.5555 2092.3865 1957.9643 109.6212 -206009.7279 17802.9047 0.0000 0.0000 34181.2456 -149141.0500 298.5133 -183322.2956 -149043.6757 299.5373 26.2832 60.2665 557961.3195 -8.7164 -8.8720 LDB: ============= START OF LOAD BALANCING ============== 7200.59 LDB: ============== END OF LOAD BALANCING =============== 7200.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7200.6 LDB: ============= START OF LOAD BALANCING ============== 7200.89 LDB: Largest compute 4821 load 0.031280 is 26.6% of average load 0.117811 LDB: Average compute 0.001716 is 1.5% of average load 0.117811 LDB: TIME 7200.89 LOAD: AVG 0.117811 MAX 0.1792 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 7200.89 LOAD: AVG 0.117811 MAX 0.1792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: TIME 7200.89 LOAD: AVG 0.117811 MAX 0.1792 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7200.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7200.9 PRESSURE: 2480400 -35.1105 -177.418 3.43207 -177.418 -204.75 103.615 3.4319 103.617 -283.784 GPRESSURE: 2480400 -29.3854 -183.32 -5.7004 -122.157 -219.585 25.3727 -81.9797 164.681 -185.152 PRESSAVG: 2480400 -46.8273 -41.8274 -50.9084 -41.8275 -1.48163 -11.8135 -50.9084 -11.8135 -8.05904 GPRESSAVG: 2480400 -47.4219 -40.3738 -51.4537 -43.0065 -2.14276 -11.0547 -50.9626 -9.6235 -6.36233 TIMING: 2480400 CPU: 7197.72, 0.00295849/step Wall: 7197.72, 0.00295849/step, 2.07061 hours remaining, 207.160156 MB of memory in use. ENERGY: 2480400 754.3108 2054.6326 1973.4023 121.1629 -205628.3982 17493.8160 0.0000 0.0000 34099.1211 -149131.9526 297.7961 -183231.0737 -149034.7022 298.6807 -174.5480 -144.7077 558010.1890 -18.7893 -18.6423 PRESSURE: 2480600 -12.1082 127.558 63.5477 127.558 -14.1643 -132.468 63.5467 -132.466 -218.896 GPRESSURE: 2480600 12.8488 257.624 82.4339 14.8844 -62.4936 -151.852 13.6608 -83.0549 -101.424 PRESSAVG: 2480600 -7.43742 5.3318 -2.03569 5.33181 -15.0338 -16.8536 -2.0358 -16.8535 36.5436 GPRESSAVG: 2480600 -5.64527 3.42149 -0.240097 6.74033 -15.047 -17.4744 -2.59634 -16.4901 35.528 TIMING: 2480600 CPU: 7198.3, 0.00289635/step Wall: 7198.3, 0.00289635/step, 2.02696 hours remaining, 207.363281 MB of memory in use. ENERGY: 2480600 721.6072 2123.2060 2002.2714 114.0598 -205911.0996 17630.1230 0.0000 0.0000 34298.8758 -149020.9564 299.5406 -183319.8322 -148924.8103 299.1519 -81.7229 -50.3563 559803.2817 4.6908 4.9452 PRESSURE: 2480800 20.4104 94.6468 -92.7949 94.6476 125.297 205.089 -92.7947 205.089 -87.2353 GPRESSURE: 2480800 68.5261 58.2949 -163.517 87.9902 121.406 126.819 -14.6344 292.756 -35.3912 PRESSAVG: 2480800 -35.8178 53.8713 -70.0804 53.8713 72.2074 29.5837 -70.0804 29.5838 -34.5851 GPRESSAVG: 2480800 -37.4741 55.5129 -71.1579 51.4611 73.3764 28.0564 -68.8396 29.2715 -34.0116 TIMING: 2480800 CPU: 7198.88, 0.00290399/step Wall: 7198.88, 0.00290399/step, 2.03215 hours remaining, 207.433594 MB of memory in use. ENERGY: 2480800 722.7011 2090.9766 1955.3517 114.4770 -206331.6059 18068.8034 0.0000 0.0000 34289.5699 -149089.7262 299.4593 -183379.2961 -148995.1486 299.5240 19.4907 51.5137 558958.6521 0.6015 0.6302 PRESSURE: 2481000 -113.007 -76.9295 82.1173 -76.9291 57.7283 32.0054 82.1185 32.0047 16.0846 GPRESSURE: 2481000 -91.3825 -94.1622 73.4351 -70.1571 137.149 65.5208 46.1334 31.7772 19.2794 PRESSAVG: 2481000 -48.8528 -25.2721 -26.2564 -25.2721 48.6653 40.4237 -26.2564 40.4238 -8.11217 GPRESSAVG: 2481000 -47.496 -24.649 -26.5676 -25.2428 47.1132 41.6627 -24.9195 40.0135 -8.12512 TIMING: 2481000 CPU: 7199.46, 0.0028929/step Wall: 7199.46, 0.0028929/step, 2.02422 hours remaining, 207.433594 MB of memory in use. ENERGY: 2481000 713.5025 2066.6888 1968.3656 114.8017 -206034.8550 17745.1141 0.0000 0.0000 34514.5031 -148911.8793 301.4237 -183426.3823 -148812.9348 299.7819 -13.0648 21.6819 558693.0682 -2.7665 -2.8360 PRESSURE: 2481200 -160.226 58.311 110.731 58.3106 -183.018 97.1681 110.73 97.1682 50.0843 GPRESSURE: 2481200 -116.171 -42.6989 39.7677 38.5785 -188.062 95.879 99.9619 102.374 105.793 PRESSAVG: 2481200 33.3574 -31.2265 -13.3893 -31.2266 6.99699 18.0087 -13.3893 18.0086 13.6381 GPRESSAVG: 2481200 33.7533 -34.1428 -12.1858 -30.0345 6.72285 18.0988 -15.7283 17.8801 12.8108 TIMING: 2481200 CPU: 7200.04, 0.00290105/step Wall: 7200.04, 0.00290105/step, 2.02977 hours remaining, 207.433594 MB of memory in use. ENERGY: 2481200 762.7733 2103.1677 1949.7261 106.5837 -206081.0735 17680.7450 0.0000 0.0000 34471.1743 -149006.9035 301.0453 -183478.0777 -148910.6933 300.4550 -97.7199 -66.1464 558664.3080 17.9975 17.7623 PRESSURE: 2481400 203.46 64.3553 36.6568 64.3563 20.0317 -12.775 36.6565 -12.7751 41.3583 GPRESSURE: 2481400 249.171 117.661 -9.63172 80.0557 42.9623 5.99218 88.2733 -38.5994 79.4101 PRESSAVG: 2481400 31.1537 -13.9552 -53.8357 -13.9552 -3.30728 14.2588 -53.8357 14.2588 1.25089 GPRESSAVG: 2481400 31.1661 -12.5519 -54.2961 -13.9697 -3.3038 14.4056 -53.0122 13.3352 1.64231 TIMING: 2481400 CPU: 7200.62, 0.00290309/step Wall: 7200.62, 0.00290309/step, 2.03103 hours remaining, 207.433594 MB of memory in use. ENERGY: 2481400 726.6015 2161.4472 1971.5324 108.0549 -206078.4470 17797.9733 0.0000 0.0000 34199.8741 -149112.9635 298.6760 -183312.8375 -149018.7711 299.2053 88.2833 123.8478 558169.1637 9.6991 9.8349 PRESSURE: 2481600 280.576 20.6009 -38.3266 20.5998 -184.273 133.976 -38.3272 133.977 10.0111 GPRESSURE: 2481600 292.391 -41.4361 -23.9604 57.2821 -149.31 102.493 -36.0534 168.54 56.4738 PRESSAVG: 2481600 25.3935 -26.9791 -14.5996 -26.9791 18.2494 36.3923 -14.5997 36.3923 -35.6998 GPRESSAVG: 2481600 25.6446 -28.0216 -13.0023 -26.0084 18.883 35.4009 -13.6604 38.761 -36.4239 TIMING: 2481600 CPU: 7201.2, 0.00289566/step Wall: 7201.2, 0.00289566/step, 2.02567 hours remaining, 207.675781 MB of memory in use. ENERGY: 2481600 733.3142 2055.8427 1986.5964 116.8591 -206406.8407 18052.9260 0.0000 0.0000 34265.9271 -149195.3752 299.2529 -183461.3023 -149100.7568 299.4779 35.4381 66.5184 557336.0404 2.6477 2.7012 PRESSURE: 2481800 -288.479 -9.63283 -178.129 -9.63253 -280.292 1.36915 -178.129 1.36895 -472.633 GPRESSURE: 2481800 -299.284 -38.589 -141.958 35.8541 -198.386 52.9349 -269.361 -63.0205 -439.565 PRESSAVG: 2481800 -30.6273 -17.0095 -15.1813 -17.0095 17.3435 50.1932 -15.1813 50.1932 -3.75753 GPRESSAVG: 2481800 -32.0892 -17.1173 -14.3526 -15.9536 17.6947 49.633 -16.5231 49.6571 -2.28648 TIMING: 2481800 CPU: 7201.78, 0.00288949/step Wall: 7201.78, 0.00288949/step, 2.0212 hours remaining, 207.675781 MB of memory in use. ENERGY: 2481800 767.3432 2046.5516 2034.5905 130.4536 -205484.7239 17214.2321 0.0000 0.0000 34322.8599 -148968.6931 299.7501 -183291.5530 -148852.8461 299.9852 -347.1346 -312.4115 557519.7588 -5.6805 -5.5603 PRESSURE: 2482000 -188.268 -61.2769 -78.2806 -61.277 -89.0499 150.575 -78.2799 150.575 -20.2381 GPRESSURE: 2482000 -152.17 -36.7228 -64.1038 -30.8244 -13.377 140.309 -115.623 185.085 -33.8023 PRESSAVG: 2482000 -57.1237 33.6155 -20.6106 33.6156 110.746 25.3595 -20.6106 25.3595 -19.1615 GPRESSAVG: 2482000 -56.2018 35.2421 -23.3404 29.7437 110.979 25.4357 -19.2013 25.8932 -20.3838 TIMING: 2482000 CPU: 7202.36, 0.00291189/step Wall: 7202.36, 0.00291189/step, 2.0367 hours remaining, 207.675781 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: 2482000 755.5387 2148.9231 1968.9329 110.5954 -206083.7764 17723.1256 0.0000 0.0000 34424.8154 -148951.8453 300.6405 -183376.6607 -148854.3036 300.0756 -99.1854 -66.4497 558207.3944 11.4869 11.4644 PRESSURE: 2482200 -85.5973 89.1094 119.382 89.109 185.193 62.9666 119.381 62.9679 -4.5359 GPRESSURE: 2482200 -94.1374 66.3277 136.772 176.423 296.877 68.0304 122.744 71.6684 -12.2727 PRESSAVG: 2482200 -70.3588 -42.2755 76.6468 -42.2755 21.227 23.1757 76.6467 23.1756 52.5 GPRESSAVG: 2482200 -70.7992 -42.9029 77.592 -40.0674 23.1721 24.1095 75.9104 20.8124 51.8437 TIMING: 2482200 CPU: 7202.94, 0.00288943/step Wall: 7202.94, 0.00288943/step, 2.02084 hours remaining, 207.675781 MB of memory in use. ENERGY: 2482200 720.6781 2072.5555 1974.0564 123.4059 -206009.0806 17757.5076 0.0000 0.0000 34576.2488 -148784.6283 301.9630 -183360.8771 -148687.4731 300.0883 31.6867 63.4890 556827.2613 1.1227 1.4055 PRESSURE: 2482400 -93.2591 18.4309 -26.2364 18.43 -167.225 45.7247 -26.2363 45.7228 -222.644 GPRESSURE: 2482400 -58.3262 30.4109 -44.9598 7.17702 -150.918 15.0306 -17.3858 -77.7402 -180.613 PRESSAVG: 2482400 -40.3394 10.4424 44.7086 10.4425 -12.2181 8.94894 44.7086 8.94901 30.1515 GPRESSAVG: 2482400 -39.3473 11.0137 43.5776 9.33855 -13.8494 6.1775 45.3628 8.04674 30.6306 TIMING: 2482400 CPU: 7203.52, 0.00289664/step Wall: 7203.52, 0.00289664/step, 2.02572 hours remaining, 207.675781 MB of memory in use. ENERGY: 2482400 774.3768 2053.1725 1961.9772 105.4738 -205719.7699 17509.2385 0.0000 0.0000 34536.8925 -148778.6386 301.6193 -183315.5311 -148685.7150 300.4963 -161.0426 -129.9522 558573.3925 -7.4687 -7.5220 PRESSURE: 2482600 -76.358 -9.06936 -152.286 -9.06912 -45.0994 3.9418 -152.284 3.9424 -0.601522 GPRESSURE: 2482600 -4.76329 3.49514 -122.858 40.9199 10.7086 -100.324 -219.564 4.18378 -29.4891 PRESSAVG: 2482600 3.24929 -20.1798 -13.6894 -20.1799 -27.4217 -68.1651 -13.6893 -68.165 28.6572 GPRESSAVG: 2482600 3.05626 -20.2635 -11.3817 -19.0655 -27.964 -67.3945 -12.5015 -63.7771 29.9736 TIMING: 2482600 CPU: 7204.1, 0.00292437/step Wall: 7204.1, 0.00292437/step, 2.04495 hours remaining, 207.675781 MB of memory in use. ENERGY: 2482600 704.9891 2129.0297 1979.6597 108.9986 -206063.3102 17801.8325 0.0000 0.0000 34474.3227 -148864.4779 301.0728 -183338.8005 -148766.1980 300.5661 -40.6863 -7.8479 558180.4283 1.4949 1.6886 PRESSURE: 2482800 -87.2797 -50.7023 -18.6857 -50.7015 -239.264 -12.0667 -18.6876 -12.0667 76.0129 GPRESSURE: 2482800 -45.547 -8.9872 14.5642 -176.544 -210.602 53.1293 -88.8015 -5.54744 102.739 PRESSAVG: 2482800 3.27276 61.357 21.8794 61.357 1.21904 -25.5115 21.8794 -25.5115 -26.1426 GPRESSAVG: 2482800 3.28271 61.3986 20.2409 61.5767 1.86488 -24.7381 20.7897 -28.3194 -26.9852 TIMING: 2482800 CPU: 7204.68, 0.0028901/step Wall: 7204.68, 0.0028901/step, 2.02082 hours remaining, 207.675781 MB of memory in use. ENERGY: 2482800 744.1369 2085.7163 1974.4088 121.2626 -205659.7767 17599.8016 0.0000 0.0000 34341.3146 -148793.1359 299.9112 -183134.4505 -148706.8799 300.3185 -83.5101 -51.1366 559137.8730 -7.2169 -7.2792 PRESSURE: 2483000 -196.486 9.40398 98.6647 9.40374 -93.6717 16.0893 98.6641 16.0898 39.9436 GPRESSURE: 2483000 -187.303 21.4254 104.706 -28.5503 -25.2732 -48.5145 147.637 -22.7225 65.5714 PRESSAVG: 2483000 86.1662 7.11249 5.85933 7.11254 -34.6749 -29.3567 5.8593 -29.3566 -62.9406 GPRESSAVG: 2483000 85.3628 6.05962 7.04777 6.30698 -34.8493 -30.164 6.28738 -27.6037 -61.8635 TIMING: 2483000 CPU: 7205.26, 0.00290644/step Wall: 7205.26, 0.00290644/step, 2.03209 hours remaining, 207.675781 MB of memory in use. ENERGY: 2483000 786.5397 2064.7437 1953.6514 120.9371 -205882.0043 17682.9360 0.0000 0.0000 34420.0730 -148853.1234 300.5991 -183273.1964 -148755.6121 300.3445 -83.4048 -49.0017 559167.2281 -3.8164 -3.7833 PRESSURE: 2483200 -1.60786 37.5207 209.27 37.5196 -278.544 29.0644 209.27 29.064 -242.562 GPRESSURE: 2483200 12.9881 76.5667 226.731 30.6024 -240.837 11.0498 217.135 -5.39031 -209.276 PRESSAVG: 2483200 -8.1093 -9.48001 37.8014 -9.47993 28.685 -8.64599 37.8015 -8.64598 -21.6775 GPRESSAVG: 2483200 -8.29888 -8.84944 39.1174 -10.2432 29.0316 -7.84025 35.4843 -10.1391 -21.9619 TIMING: 2483200 CPU: 7205.84, 0.00290075/step Wall: 7205.84, 0.00290075/step, 2.02795 hours remaining, 207.675781 MB of memory in use. ENERGY: 2483200 782.9461 2123.2768 1957.9989 106.7030 -205556.9631 17529.3123 0.0000 0.0000 34336.3749 -148720.3511 299.8681 -183056.7260 -148624.4843 300.8696 -174.2378 -145.7085 557257.7757 -0.3673 -0.4098 PRESSURE: 2483400 -53.0944 18.4373 120.092 18.4379 -20.8823 20.0113 120.092 20.0128 -200.075 GPRESSURE: 2483400 20.243 80.2354 114.957 -30.0871 2.50218 70.3299 74.8929 -20.9688 -197.798 PRESSAVG: 2483400 -16.1181 1.19002 38.6846 1.19001 91.7941 -17.4258 38.6845 -17.4256 -105.11 GPRESSAVG: 2483400 -14.6946 1.07423 38.7357 2.43031 90.9654 -15.5681 40.4767 -20.2833 -105.552 TIMING: 2483400 CPU: 7206.42, 0.00289452/step Wall: 7206.42, 0.00289452/step, 2.02343 hours remaining, 207.675781 MB of memory in use. ENERGY: 2483400 721.6243 2086.6399 1957.7704 109.5995 -205648.0365 17575.0313 0.0000 0.0000 34550.3211 -148647.0500 301.7365 -183197.3711 -148547.1991 300.6910 -91.3504 -58.3508 558376.1438 -9.8113 -9.7603 PRESSURE: 2483600 54.7589 0.184887 58.6881 0.184522 -180.278 -88.2427 58.69 -88.2429 20.021 GPRESSURE: 2483600 99.0775 9.20919 -5.51652 34.1847 -185.673 -126.078 72.0913 -42.8314 74.3428 PRESSAVG: 2483600 41.0489 36.8047 52.0008 36.8046 32.5881 12.294 52.0008 12.294 -60.5854 GPRESSAVG: 2483600 39.6944 38.0914 50.7293 36.7155 32.7433 11.1365 51.7315 16.4515 -59.5174 TIMING: 2483600 CPU: 7207, 0.00290497/step Wall: 7207, 0.00290497/step, 2.03057 hours remaining, 207.675781 MB of memory in use. ENERGY: 2483600 731.4786 2112.9431 1966.1688 116.0552 -205657.3976 17573.0782 0.0000 0.0000 34340.1278 -148817.5458 299.9009 -183157.6736 -148724.5341 300.1834 -35.1660 -4.0842 559350.9958 4.3505 4.3067 PRESSURE: 2483800 -75.4178 -27.0986 65.6037 -27.0977 -63.4272 17.5372 65.6028 17.5365 -23.6463 GPRESSURE: 2483800 -71.0698 -19.1097 27.1004 35.9324 10.8461 -66.3765 77.6546 -9.99521 -4.1646 PRESSAVG: 2483800 -2.22265 4.14103 14.5941 4.14099 -2.34889 33.0876 14.5941 33.0875 -19.0047 GPRESSAVG: 2483800 -1.79402 2.23602 16.5893 7.15348 -2.84491 32.7638 12.9247 32.0288 -19.5294 TIMING: 2483800 CPU: 7207.58, 0.00290574/step Wall: 7207.58, 0.00290574/step, 2.03095 hours remaining, 207.675781 MB of memory in use. ENERGY: 2483800 746.7397 2094.2735 1959.3147 111.7713 -205953.0214 17818.8390 0.0000 0.0000 34338.8758 -148883.2075 299.8899 -183222.0832 -148785.5846 300.1372 -54.1638 -21.4628 559115.3924 -7.8587 -8.0561 PRESSURE: 2484000 -111.095 -84.5661 38.2477 -84.5671 82.3625 140.382 38.2481 140.383 -138.398 GPRESSURE: 2484000 -48.3565 -42.8783 44.2984 -93.3484 131.774 67.4382 35.583 154.012 -138.742 PRESSAVG: 2484000 -47.1728 -13.2027 35.535 -13.2027 68.5663 -1.28911 35.5351 -1.28895 -26.5927 GPRESSAVG: 2484000 -48.2522 -12.1563 32.6255 -15.7394 68.9877 -2.42489 36.5108 0.354404 -26.2225 TIMING: 2484000 CPU: 7208.17, 0.00291377/step Wall: 7208.17, 0.00291377/step, 2.0364 hours remaining, 207.675781 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: 2484000 754.5128 2097.3100 1968.0559 102.6732 -205930.9217 17739.2648 0.0000 0.0000 34299.9670 -148969.1379 299.5501 -183269.1049 -148869.7554 300.1744 -55.7101 -18.4415 559091.8405 -1.7331 -1.8290 PRESSURE: 2484200 34.617 265.001 -21.5607 265.002 230.135 79.5356 -21.5623 79.5363 -59.7124 GPRESSURE: 2484200 102.112 188.946 11.794 206.436 238.64 22.0979 -80.6099 34.3146 -29.9277 PRESSAVG: 2484200 11.904 -12.2188 -23.2538 -12.2187 48.2046 -19.8994 -23.2539 -19.8993 -26.7218 GPRESSAVG: 2484200 13.4949 -12.4181 -21.3926 -13.1656 48.2249 -20.8658 -23.8273 -18.6207 -27.8344 TIMING: 2484200 CPU: 7208.75, 0.00290936/step Wall: 7208.75, 0.00290936/step, 2.03316 hours remaining, 207.675781 MB of memory in use. ENERGY: 2484200 756.0092 2076.4337 1976.7626 112.7625 -206091.9343 17909.6975 0.0000 0.0000 34144.6251 -149115.6437 298.1935 -183260.2688 -149018.9693 299.3986 68.3467 103.6082 559076.2966 11.1289 11.2952 LDB: ============= START OF LOAD BALANCING ============== 7212.21 LDB: ============== END OF LOAD BALANCING =============== 7212.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7212.22 LDB: ============= START OF LOAD BALANCING ============== 7212.51 LDB: Largest compute 4821 load 0.031228 is 26.5% of average load 0.117741 LDB: Average compute 0.001715 is 1.5% of average load 0.117741 LDB: TIME 7212.51 LOAD: AVG 0.117741 MAX 0.179919 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 7212.51 LOAD: AVG 0.117741 MAX 0.179919 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.168 MB LDB: TIME 7212.51 LOAD: AVG 0.117741 MAX 0.179919 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.168 MB LDB: ============== END OF LOAD BALANCING =============== 7212.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7212.52 PRESSURE: 2484400 248.767 82.3898 -169.618 82.3907 -239.201 -145.46 -169.619 -145.459 -161.403 GPRESSURE: 2484400 270.82 72.2169 -186.606 31.4807 -200.542 -94.2078 -174.734 -194.631 -125.618 PRESSAVG: 2484400 42.3993 31.8922 -21.455 31.8923 10.5003 -20.8556 -21.4551 -20.8557 -26.5543 GPRESSAVG: 2484400 41.3689 32.1679 -23.3333 32.1901 10.606 -21.0631 -18.8579 -22.7865 -25.2674 TIMING: 2484400 CPU: 7209.34, 0.00297339/step Wall: 7209.34, 0.00297339/step, 2.07774 hours remaining, 205.621094 MB of memory in use. ENERGY: 2484400 792.0900 2048.1974 1958.6164 109.5697 -206341.5275 17888.4138 0.0000 0.0000 34486.5251 -149058.1150 301.1794 -183544.6401 -148961.0046 299.5503 -50.6121 -18.4470 558204.1320 8.7817 8.9025 PRESSURE: 2484600 -65.8073 93.4156 -123.182 93.4156 -378.67 -96.0465 -123.182 -96.0472 -315.096 GPRESSURE: 2484600 -81.9158 11.6174 -110.3 82.8761 -320.048 -118.548 -142.012 -145.136 -271.377 PRESSAVG: 2484600 -47.7223 -58.0645 -29.9191 -58.0644 61.8013 -18.7318 -29.919 -18.7317 5.35892 GPRESSAVG: 2484600 -46.7748 -59.1995 -30.7298 -59.078 60.5071 -17.9397 -29.6882 -18.559 5.42721 TIMING: 2484600 CPU: 7209.93, 0.00293258/step Wall: 7209.93, 0.00293258/step, 2.04906 hours remaining, 205.820312 MB of memory in use. ENERGY: 2484600 765.6932 2110.1694 1979.3753 110.4134 -205382.2617 17418.1403 0.0000 0.0000 34100.0587 -148898.4114 297.8043 -182998.4702 -148804.2820 299.5278 -253.1909 -224.4469 559958.0109 6.4793 6.3865 PRESSURE: 2484800 -255.181 44.5345 -43.7345 44.5371 87.5206 383.787 -43.7356 383.785 42.4834 GPRESSURE: 2484800 -144.566 -20.0664 -109.353 59.6915 43.6786 343.057 -36.8562 349.191 58.2694 PRESSAVG: 2484800 19.175 -6.53656 -32.396 -6.53657 -3.66005 43.7864 -32.3961 43.7864 1.75775 GPRESSAVG: 2484800 19.7393 -6.67867 -29.553 -5.77374 -2.62493 45.1601 -35.1896 43.0545 0.651208 TIMING: 2484800 CPU: 7210.51, 0.00291206/step Wall: 7210.51, 0.00291206/step, 2.03456 hours remaining, 206.023438 MB of memory in use. ENERGY: 2484800 742.4251 2062.2478 1981.5062 113.5819 -206144.5922 17967.9582 0.0000 0.0000 34560.7250 -148716.1481 301.8274 -183276.8731 -148620.1995 300.9143 -41.7256 -14.2059 558644.6295 5.7576 5.9218 PRESSURE: 2485000 8.98262 -93.5005 -23.7408 -93.4995 -179.506 -106.226 -23.7411 -106.228 -240.382 GPRESSURE: 2485000 41.3127 -57.6001 -73.8825 -94.6102 -155.94 -135.965 -45.6082 -56.9318 -200.472 PRESSAVG: 2485000 119.55 -34.7272 11.8068 -34.7272 -2.1369 -38.4772 11.8067 -38.4773 -70.2478 GPRESSAVG: 2485000 118.356 -36.3108 10.1702 -34.5009 -1.55351 -40.2431 12.9669 -37.7061 -69.2586 TIMING: 2485000 CPU: 7211.09, 0.0028906/step Wall: 7211.09, 0.0028906/step, 2.01941 hours remaining, 206.023438 MB of memory in use. ENERGY: 2485000 738.2636 2037.8903 1973.0589 120.4839 -205604.5187 17674.5242 0.0000 0.0000 34246.9389 -148813.3589 299.0870 -183060.2978 -148720.2527 300.1569 -136.9686 -105.0333 560343.5854 15.7217 15.8480 PRESSURE: 2485200 292.681 -44.0152 51.914 -44.0155 70.3425 -248.888 51.9141 -248.89 135.575 GPRESSURE: 2485200 327.528 -57.8348 205.253 -23.3055 59.6951 -227.25 0.237637 -327.679 207.042 PRESSAVG: 2485200 -49.9883 8.61453 -1.98086 8.61454 -7.1134 22.5348 -1.9808 22.5349 24.5598 GPRESSAVG: 2485200 -50.5368 10.7661 -0.570242 9.57314 -8.09379 21.2954 -0.102905 21.7629 25.6181 TIMING: 2485200 CPU: 7211.67, 0.00291654/step Wall: 7211.67, 0.00291654/step, 2.03736 hours remaining, 206.023438 MB of memory in use. ENERGY: 2485200 728.2321 2106.5474 1950.0166 126.7999 -205944.0826 17845.4733 0.0000 0.0000 34438.8415 -148748.1718 300.7630 -183187.0133 -148656.8173 300.8034 166.1997 198.0883 557519.7311 -10.8473 -11.0042 PRESSURE: 2485400 -97.4584 112.125 33.8957 112.126 -322.448 -112.172 33.8952 -112.17 -273.905 GPRESSURE: 2485400 -51.393 110.059 49.2844 150.456 -325.076 -186.424 49.5291 -198.571 -221.396 PRESSAVG: 2485400 17.6797 -5.47677 12.7084 -5.47679 -7.76685 8.66607 12.7083 8.66602 19.2751 GPRESSAVG: 2485400 17.5293 -5.44777 11.0847 -6.01668 -7.25561 10.8929 9.84872 7.71484 18.6772 TIMING: 2485400 CPU: 7212.26, 0.00293103/step Wall: 7212.26, 0.00293103/step, 2.04733 hours remaining, 206.023438 MB of memory in use. ENERGY: 2485400 812.6786 2033.9651 1956.4973 109.7492 -205453.7577 17490.0604 0.0000 0.0000 34254.1462 -148796.6609 299.1500 -183050.8072 -148695.2859 300.2549 -231.2706 -199.2885 558453.8988 9.7293 9.6503 PRESSURE: 2485600 139.814 235.838 -135.204 235.838 106.481 -53.3852 -135.205 -53.3841 -371.032 GPRESSURE: 2485600 174.859 236.559 -98.1968 247.529 119.406 -15.3887 -169.035 -140.332 -316.115 PRESSAVG: 2485600 5.60537 -1.94883 6.15965 -1.94896 18.8269 -37.6725 6.15961 -37.6724 -8.55135 GPRESSAVG: 2485600 5.5511 -3.14994 6.75872 -3.19094 18.9877 -36.8429 6.68166 -35.8571 -8.75474 TIMING: 2485600 CPU: 7212.85, 0.00294172/step Wall: 7212.85, 0.00294172/step, 2.05463 hours remaining, 206.023438 MB of memory in use. ENERGY: 2485600 739.8742 2087.8378 1921.2692 110.2122 -205552.7548 17586.2436 0.0000 0.0000 34306.9608 -148800.3570 299.6112 -183107.3179 -148706.0200 299.3132 -41.5788 -7.2831 558749.8146 5.2936 5.2614 PRESSURE: 2485800 158.052 208.675 -29.9125 208.676 142.909 72.4443 -29.9132 72.4437 189.852 GPRESSURE: 2485800 171.282 150.614 -89.0807 95.8685 196.863 78.5158 40.7007 66.8541 213.564 PRESSAVG: 2485800 71.679 32.0807 -20.7349 32.0807 -10.4386 41.4542 -20.7349 41.4543 -59.9009 GPRESSAVG: 2485800 71.9958 32.7528 -20.6601 33.2098 -10.509 38.976 -20.6513 42.7177 -60.5471 TIMING: 2485800 CPU: 7213.43, 0.00289619/step Wall: 7213.43, 0.00289619/step, 2.02267 hours remaining, 206.023438 MB of memory in use. ENERGY: 2485800 715.1035 2098.9611 1956.1601 122.9194 -206309.6296 18050.4998 0.0000 0.0000 34525.8831 -148840.1026 301.5231 -183365.9857 -148736.6151 299.9648 163.6040 193.9033 557874.6887 0.4465 0.3132 PRESSURE: 2486000 -59.6508 71.8875 -32.2777 71.8877 -58.3185 14.9069 -32.2776 14.9067 -170.233 GPRESSURE: 2486000 -14.0933 94.8082 10.6792 54.0496 -21.337 112.781 -52.2727 2.37026 -157.493 PRESSAVG: 2486000 78.3415 26.5763 -68.6304 26.5763 -20.0218 4.64142 -68.6305 4.64141 -43.604 GPRESSAVG: 2486000 78.0939 25.2494 -70.7405 27.2097 -20.3378 5.84608 -66.0698 2.93978 -42.6296 TIMING: 2486000 CPU: 7214.01, 0.00291293/step Wall: 7214.01, 0.00291293/step, 2.0342 hours remaining, 206.023438 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: 2486000 731.4320 2076.2285 1950.5906 122.5320 -205755.2415 17640.0248 0.0000 0.0000 34448.4990 -148785.9346 300.8473 -183234.4336 -148684.3954 300.7493 -96.0675 -64.3077 558278.3353 4.9052 5.0421 PRESSURE: 2486200 -61.7846 45.1603 13.2824 45.159 -217.881 -46.3044 13.2847 -46.3058 67.6943 GPRESSURE: 2486200 -59.5752 11.5158 62.2334 200.948 -137.024 -31.2139 -15.7889 -43.2725 81.7692 PRESSAVG: 2486200 -41.2795 -11.8414 -50.7777 -11.8413 21.6207 55.5749 -50.7776 55.5749 4.50714 GPRESSAVG: 2486200 -41.6237 -9.77783 -49.3622 -13.5446 22.2057 54.6426 -51.4209 56.3719 4.78406 TIMING: 2486200 CPU: 7214.59, 0.00288944/step Wall: 7214.59, 0.00288944/step, 2.01763 hours remaining, 206.023438 MB of memory in use. ENERGY: 2486200 774.0803 2103.5342 1955.8750 114.9037 -205761.7756 17784.4948 0.0000 0.0000 34285.6225 -148743.2649 299.4249 -183028.8875 -148644.5140 301.0409 -70.6570 -38.2765 558858.2750 -5.0506 -4.8780 PRESSURE: 2486400 53.3427 2.78998 -24.4686 2.79088 -59.136 29.7493 -24.4702 29.7479 19.6053 GPRESSURE: 2486400 94.8835 31.1967 -8.79205 -53.1409 5.64581 122.278 -39.0852 -6.9496 -0.342481 PRESSAVG: 2486400 41.6872 -35.3453 -21.1902 -35.3454 12.051 35.7474 -21.1902 35.7475 -45.3723 GPRESSAVG: 2486400 42.379 -34.8489 -19.8559 -33.6061 11.7813 37.6454 -22.2382 35.8784 -45.824 TIMING: 2486400 CPU: 7215.17, 0.00291632/step Wall: 7215.17, 0.00291632/step, 2.03624 hours remaining, 206.023438 MB of memory in use. ENERGY: 2486400 747.4477 2052.1260 2000.5893 121.6663 -206033.9239 17826.2850 0.0000 0.0000 34560.9949 -148724.8146 301.8298 -183285.8095 -148629.1872 300.7057 4.6040 33.3956 558061.7110 2.7886 2.7787 PRESSURE: 2486600 -241.398 18.949 -64.8345 18.9488 150.128 98.8412 -64.8333 98.8407 -179.332 GPRESSURE: 2486600 -196.593 86.8059 -179.295 -14.7471 180.381 48.9993 -21.5853 141.036 -147.325 PRESSAVG: 2486600 -2.77701 -10.042 -59.8015 -10.0418 56.9274 34.4032 -59.8016 34.4032 -39.4983 GPRESSAVG: 2486600 -1.64395 -11.3546 -60.6965 -10.8198 55.9333 33.8233 -60.3049 33.2123 -39.6576 TIMING: 2486600 CPU: 7215.75, 0.00292507/step Wall: 7215.75, 0.00292507/step, 2.04218 hours remaining, 206.023438 MB of memory in use. ENERGY: 2486600 780.9812 2086.2218 1955.7951 122.1893 -206000.5136 17657.8319 0.0000 0.0000 34654.8049 -148742.6893 302.6490 -183397.4943 -148649.0631 301.0378 -90.2006 -54.5122 557836.2591 4.8840 4.8773 PRESSURE: 2486800 76.1032 -11.2916 -253.41 -11.2905 68.5865 -64.1971 -253.41 -64.1977 -94.6673 GPRESSURE: 2486800 108.342 -70.8328 -318.534 11.1804 158.126 -12.094 -240.145 -57.254 -111.918 PRESSAVG: 2486800 -49.0647 31.5475 -37.2706 31.5475 44.7637 32.6478 -37.2706 32.6478 12.7716 GPRESSAVG: 2486800 -50.2775 32.8839 -39.2639 31.0109 45.5794 32.3836 -37.3082 35.182 13.0603 TIMING: 2486800 CPU: 7216.33, 0.00288973/step Wall: 7216.33, 0.00288973/step, 2.01735 hours remaining, 206.023438 MB of memory in use. ENERGY: 2486800 742.7306 2114.8781 1936.0873 109.2225 -205819.4428 17734.0526 0.0000 0.0000 34315.7972 -148866.6745 299.6884 -183182.4718 -148768.4874 300.1294 16.6742 51.5167 557065.5893 2.8235 2.7874 PRESSURE: 2487000 -14.3939 -17.7722 -13.3815 -17.7715 -10.0558 -70.2291 -13.3804 -70.2292 226.405 GPRESSURE: 2487000 31.2007 -27.3421 -21.5235 2.84659 50.1008 -37.463 -2.18585 -203.74 223.897 PRESSAVG: 2487000 -55.0264 15.1255 -37.5875 15.1255 36.6518 -7.70049 -37.5874 -7.7005 6.68348 GPRESSAVG: 2487000 -54.5701 16.8289 -35.5606 16.9879 36.0046 -9.01585 -37.1019 -8.47552 6.93068 TIMING: 2487000 CPU: 7216.92, 0.00291924/step Wall: 7216.92, 0.00291924/step, 2.03779 hours remaining, 206.023438 MB of memory in use. ENERGY: 2487000 752.1122 2101.7100 2004.4956 123.4512 -206174.0655 17878.3339 0.0000 0.0000 34416.3080 -148897.6544 300.5662 -183313.9625 -148799.3184 299.5825 67.3183 101.7328 557453.2508 -3.8971 -3.8783 PRESSURE: 2487200 -32.8835 -169.894 -51.0001 -169.894 -139.427 -84.1386 -51.0009 -84.1386 -18.7375 GPRESSURE: 2487200 -34.9875 -103.916 75.8946 -199.363 -115.26 -155.677 -110.586 -47.5361 55.9256 PRESSAVG: 2487200 -17.7514 49.6666 -11.1254 49.6666 33.8807 -59.0595 -11.1254 -59.0594 11.549 GPRESSAVG: 2487200 -18.6753 48.2985 -10.865 47.7638 34.1985 -59.1833 -11.1485 -60.579 11.4076 TIMING: 2487200 CPU: 7217.49, 0.00288116/step Wall: 7217.49, 0.00288116/step, 2.01105 hours remaining, 206.023438 MB of memory in use. ENERGY: 2487200 732.6486 2071.2737 1992.9340 131.8195 -205711.5285 17672.5854 0.0000 0.0000 34252.9988 -148857.2684 299.1400 -183110.2672 -148765.2443 299.8031 -63.6828 -31.4405 559225.8092 9.2261 8.9769 PRESSURE: 2487400 -140.428 15.9225 5.55203 15.9222 -37.1206 -85.5174 5.55116 -85.5176 -142.364 GPRESSURE: 2487400 -163.742 -17.8064 -9.50273 66.8191 -10.0753 -81.6783 -6.12059 -71.4624 -36.1144 PRESSAVG: 2487400 56.6498 -38.0747 25.9107 -38.0746 60.1646 32.6703 25.9107 32.6702 -40.5099 GPRESSAVG: 2487400 56.7315 -38.738 25.2239 -36.3801 60.036 32.967 23.5575 33.2403 -40.2968 TIMING: 2487400 CPU: 7218.07, 0.00289373/step Wall: 7218.07, 0.00289373/step, 2.01966 hours remaining, 206.023438 MB of memory in use. ENERGY: 2487400 789.8345 2129.1011 1974.8292 122.0034 -205986.3111 17790.6357 0.0000 0.0000 34412.9368 -148766.9705 300.5367 -183179.9072 -148679.7603 300.3207 -106.6375 -69.9773 558828.0512 25.4348 25.4902 PRESSURE: 2487600 -175.885 84.55 -32.1868 84.5502 -67.487 92.1929 -32.1858 92.1943 -68.4269 GPRESSURE: 2487600 -113.026 65.1509 4.91755 115.464 -10.2583 121.282 13.5552 80.8951 -100.774 PRESSAVG: 2487600 -7.67789 -45.3076 -3.86983 -45.3076 -1.0092 35.3069 -3.86977 35.3069 0.708999 GPRESSAVG: 2487600 -8.13592 -43.5027 -4.43191 -47.5978 -0.594809 35.2026 -1.91254 36.0381 0.519892 TIMING: 2487600 CPU: 7218.65, 0.00290022/step Wall: 7218.65, 0.00290022/step, 2.02403 hours remaining, 206.023438 MB of memory in use. ENERGY: 2487600 781.6549 2100.9486 1972.0131 116.7501 -205651.9731 17613.5351 0.0000 0.0000 34357.5225 -148709.5488 300.0528 -183067.0713 -148613.3620 300.4407 -103.9329 -74.6859 558755.9234 -2.6594 -2.7369 PRESSURE: 2487800 -74.5978 40.8959 136.957 40.8965 10.8356 22.7814 136.958 22.7815 70.5485 GPRESSURE: 2487800 -55.9017 77.8619 184.733 33.1102 51.8684 20.7561 107.864 -26.8385 99.6628 PRESSAVG: 2487800 -12.277 -37.7806 4.07559 -37.7806 52.1289 -65.7643 4.07563 -65.7642 -22.0061 GPRESSAVG: 2487800 -11.1202 -38.0915 5.3472 -38.9455 51.6906 -64.6272 4.97762 -67.1165 -22.8033 TIMING: 2487800 CPU: 7219.23, 0.00290436/step Wall: 7219.23, 0.00290436/step, 2.02676 hours remaining, 206.023438 MB of memory in use. ENERGY: 2487800 758.0334 2129.4341 1978.9336 113.3007 -205920.8830 17892.3485 0.0000 0.0000 34330.3878 -148718.4449 299.8158 -183048.8328 -148626.4336 300.5021 2.2621 31.8765 558143.5136 5.9486 5.9223 PRESSURE: 2488000 52.3036 166.06 0.218573 166.059 -190.531 35.8673 0.218872 35.8668 117.76 GPRESSURE: 2488000 45.5224 148.359 -5.28419 148.41 -135.783 -19.5066 -25.9096 10.636 176.142 PRESSAVG: 2488000 -23.3334 26.5891 35.2456 26.5891 -19.8778 -49.5807 35.2457 -49.5808 30.5486 GPRESSAVG: 2488000 -24.1303 25.8194 35.8715 28.3855 -19.7525 -50.7584 32.4641 -48.8932 30.9935 TIMING: 2488000 CPU: 7219.82, 0.00291809/step Wall: 7219.82, 0.00291809/step, 2.03618 hours remaining, 206.023438 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: 2488000 751.3792 2067.7037 1953.0288 133.9039 -205798.7406 17793.2000 0.0000 0.0000 34296.8433 -148802.6819 299.5229 -183099.5251 -148704.5854 300.2270 -6.8224 28.6270 559051.7417 -4.2209 -4.2964 PRESSURE: 2488200 -24.767 -2.33661 -127.121 -2.33708 117.546 103.432 -127.121 103.432 149.952 GPRESSURE: 2488200 3.25969 -23.3406 -62.7474 83.0333 165.733 40.86 -170.481 52.9323 165.578 PRESSAVG: 2488200 21.9906 28.0794 101.26 28.0794 -20.5669 -2.18371 101.26 -2.18363 -4.37644 GPRESSAVG: 2488200 22.6557 26.7416 101.091 29.7326 -21.1862 -2.93286 102.873 -1.95028 -5.03573 TIMING: 2488200 CPU: 7220.4, 0.00290741/step Wall: 7220.4, 0.00290741/step, 2.02857 hours remaining, 206.023438 MB of memory in use. ENERGY: 2488200 735.9406 2091.5365 1942.7567 120.8939 -206147.0838 17877.1453 0.0000 0.0000 34502.4835 -148876.3273 301.3188 -183378.8108 -148776.9457 300.0205 80.9103 111.5235 557106.0157 -0.9842 -1.1887 LDB: ============= START OF LOAD BALANCING ============== 7223.86 LDB: ============== END OF LOAD BALANCING =============== 7223.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7223.86 LDB: ============= START OF LOAD BALANCING ============== 7224.16 LDB: Largest compute 4821 load 0.032026 is 27.2% of average load 0.117789 LDB: Average compute 0.001722 is 1.5% of average load 0.117789 LDB: TIME 7224.16 LOAD: AVG 0.117789 MAX 0.177206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 7224.16 LOAD: AVG 0.117789 MAX 0.177206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 7224.16 LOAD: AVG 0.117789 MAX 0.177206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: ============== END OF LOAD BALANCING =============== 7224.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7224.16 PRESSURE: 2488400 -279.437 80.3176 38.7434 80.3181 -396.865 -19.8324 38.7439 -19.8302 -139.375 GPRESSURE: 2488400 -242.196 68.6042 112.225 61.9939 -373.033 0.29242 13.1447 -5.6741 -111.622 PRESSAVG: 2488400 -1.74694 -34.4856 51.6317 -34.4855 24.5285 -44.2727 51.6318 -44.2727 -26.7375 GPRESSAVG: 2488400 -3.25974 -34.6155 51.4454 -35.7732 25.4254 -44.0283 52.7992 -42.3879 -26.5298 TIMING: 2488400 CPU: 7220.99, 0.00295908/step Wall: 7220.99, 0.00295908/step, 2.06445 hours remaining, 207.414062 MB of memory in use. ENERGY: 2488400 729.9367 2069.6396 1977.2348 109.9890 -205591.6772 17353.4009 0.0000 0.0000 34394.9960 -148956.4802 300.3801 -183351.4762 -148863.3227 299.8188 -271.8921 -242.2836 557892.4562 -1.3187 -1.4547 PRESSURE: 2488600 -43.7329 -124.386 -87.7096 -124.388 -91.9416 -174.683 -87.7112 -174.683 50.1291 GPRESSURE: 2488600 -33.5514 -91.3614 -128.206 -146.01 8.3613 -114.089 -170.867 -248.953 51.1811 PRESSAVG: 2488600 -20.0132 -52.9004 17.4857 -52.9005 44.8017 -8.83403 17.4857 -8.83407 -15.4562 GPRESSAVG: 2488600 -18.7789 -51.5993 17.5749 -52.0521 44.4026 -6.13506 16.5753 -11.8671 -16.4503 TIMING: 2488600 CPU: 7221.57, 0.00291572/step Wall: 7221.57, 0.00291572/step, 2.03404 hours remaining, 207.414062 MB of memory in use. ENERGY: 2488600 732.2062 2136.0412 1942.6154 113.8921 -205960.1077 17724.1556 0.0000 0.0000 34392.8294 -148918.3678 300.3611 -183311.1972 -148822.3478 299.8091 -28.5152 8.6637 557706.3730 3.1108 3.0578 PRESSURE: 2488800 140.036 52.2945 27.9783 52.2937 -173.9 53.7441 27.979 53.7441 -163.458 GPRESSURE: 2488800 190.558 23.7414 57.3394 65.8935 -137.797 28.3602 -31.7617 32.405 -156.25 PRESSAVG: 2488800 9.16553 -37.7631 -16.5691 -37.7631 -2.0825 -30.0912 -16.5691 -30.0912 -1.49817 GPRESSAVG: 2488800 8.28163 -38.4543 -16.8129 -38.3775 -2.12762 -32.715 -16.9153 -28.276 -0.393875 TIMING: 2488800 CPU: 7222.15, 0.00290708/step Wall: 7222.15, 0.00290708/step, 2.02785 hours remaining, 207.625000 MB of memory in use. ENERGY: 2488800 732.9935 2166.0554 1965.4305 116.5143 -205741.1412 17535.3749 0.0000 0.0000 34394.5950 -148830.1776 300.3766 -183224.7726 -148732.8611 299.7625 -65.7739 -34.4964 558074.1174 1.8616 1.9200 PRESSURE: 2489000 -217.619 -19.5815 28.3967 -19.5819 163.134 5.76252 28.3978 5.76342 22.6574 GPRESSURE: 2489000 -159.435 57.7821 2.23514 -72.9078 178.35 -74.1995 -1.81803 13.2147 41.8065 PRESSAVG: 2489000 25.0144 47.8783 -16.4501 47.8782 27.7223 -3.50847 -16.4502 -3.50857 -27.1056 GPRESSAVG: 2489000 24.8511 47.2136 -15.1966 46.613 27.9614 -3.11757 -16.437 -3.97351 -27.1123 TIMING: 2489000 CPU: 7222.73, 0.00289925/step Wall: 7222.73, 0.00289925/step, 2.02223 hours remaining, 207.625000 MB of memory in use. ENERGY: 2489000 769.1709 2110.8717 1979.0020 118.0592 -205751.3927 17868.9204 0.0000 0.0000 34145.5652 -148759.8033 298.2017 -182905.3685 -148661.1035 300.0924 -10.6092 20.2406 557921.5827 8.5437 8.5667 PRESSURE: 2489200 -23.7263 15.2478 41.5107 15.2498 44.0323 -50.6326 41.5115 -50.6327 -201.23 GPRESSURE: 2489200 -11.8038 35.8954 87.7858 18.9659 93.5399 -8.86378 -9.22322 -74.9378 -164.722 PRESSAVG: 2489200 -4.92123 -0.610403 6.64415 -0.610499 3.53431 -3.91562 6.64411 -3.91548 -41.1094 GPRESSAVG: 2489200 -3.67799 -0.80853 5.06927 1.62219 2.56503 -3.04969 6.34764 -4.27724 -41.6007 TIMING: 2489200 CPU: 7223.32, 0.00295418/step Wall: 7223.32, 0.00295418/step, 2.06038 hours remaining, 207.625000 MB of memory in use. ENERGY: 2489200 791.0986 2087.1642 1981.7317 104.1311 -205639.0487 17628.7769 0.0000 0.0000 34279.2655 -148766.8806 299.3694 -183046.1460 -148665.7751 300.9872 -60.3080 -27.6621 557577.7192 -14.1654 -14.2379 PRESSURE: 2489400 190.347 93.8277 -74.0033 93.8287 101.156 71.2919 -74.0037 71.2938 -414.312 GPRESSURE: 2489400 199.807 158.767 -105.798 111.158 165.575 84.8518 -40.0061 107.24 -393.399 PRESSAVG: 2489400 38.8692 -37.3196 6.1269 -37.3197 10.0511 -5.3266 6.12686 -5.32654 -4.31025 GPRESSAVG: 2489400 38.6868 -36.5974 6.48037 -39.6081 9.79416 -5.28219 5.78367 -3.20234 -4.06044 TIMING: 2489400 CPU: 7223.91, 0.00292869/step Wall: 7223.91, 0.00292869/step, 2.04244 hours remaining, 207.625000 MB of memory in use. ENERGY: 2489400 730.4658 2121.9772 1966.9955 117.5779 -206224.4863 17903.8329 0.0000 0.0000 34523.4693 -148860.1678 301.5020 -183383.6371 -148761.8853 300.7314 -40.9365 -9.3390 558860.8870 14.8700 14.8068 PRESSURE: 2489600 74.3564 63.6697 -96.8984 63.6693 -88.0012 -70.6009 -96.8981 -70.6015 124.559 GPRESSURE: 2489600 106.4 -12.66 -87.2346 94.8127 -97.3727 -64.3419 -69.9961 -85.9709 202.435 PRESSAVG: 2489600 63.1567 58.152 -6.7415 58.1521 -33.7592 30.0874 -6.7416 30.0875 -44.978 GPRESSAVG: 2489600 62.2493 57.2573 -5.94038 60.176 -33.3178 29.3694 -4.90887 29.865 -44.3765 TIMING: 2489600 CPU: 7224.49, 0.00290721/step Wall: 7224.49, 0.00290721/step, 2.02729 hours remaining, 207.625000 MB of memory in use. ENERGY: 2489600 764.3006 2077.2291 1974.8937 115.5874 -206548.3853 18086.5243 0.0000 0.0000 34403.2773 -149126.5729 300.4524 -183529.8502 -149025.2628 300.1083 36.9713 70.4873 556442.8992 -5.1935 -5.1483 PRESSURE: 2489800 -19.2937 -21.0579 239.15 -21.0584 -210.209 -53.6908 239.15 -53.691 -150.679 GPRESSURE: 2489800 27.4217 25.2818 138.013 -80.2152 -164.741 -25.4421 301.673 -51.9227 -133.236 PRESSAVG: 2489800 52.1438 -17.0951 -13.8597 -17.0951 -25.3342 41.1556 -13.8598 41.1557 -4.45295 GPRESSAVG: 2489800 52.5162 -15.4116 -15.6421 -18.9047 -24.9414 40.4977 -13.5702 39.8592 -5.54885 TIMING: 2489800 CPU: 7225.07, 0.00290306/step Wall: 7225.07, 0.00290306/step, 2.02424 hours remaining, 207.625000 MB of memory in use. ENERGY: 2489800 745.2337 2076.5034 1936.9923 109.2396 -206365.2142 17846.2829 0.0000 0.0000 34256.6905 -149394.2717 299.1722 -183650.9622 -149290.5156 298.8951 -126.7272 -90.1851 558310.6893 7.4522 7.3420 PRESSURE: 2490000 -81.8688 8.60911 -46.4791 8.61056 121.592 -99.4901 -46.4785 -99.4903 44.7177 GPRESSURE: 2490000 32.9781 -75.3488 -60.4374 -43.7297 136.348 -62.863 -31.2013 -148.946 25.5869 PRESSAVG: 2490000 5.57916 -38.6913 -15.0146 -38.6913 -13.9746 -41.246 -15.0146 -41.246 27.1053 GPRESSAVG: 2490000 6.40488 -39.4005 -13.4656 -37.5178 -13.7089 -41.8243 -16.6293 -41.1026 26.7469 TIMING: 2490000 CPU: 7225.65, 0.00288673/step Wall: 7225.65, 0.00288673/step, 2.01269 hours remaining, 207.625000 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: 2490000 749.5348 2043.9487 1968.4901 96.8072 -206309.9841 17844.7595 0.0000 0.0000 34171.5364 -149434.9074 298.4285 -183606.4437 -149338.3488 297.9333 28.1470 64.9708 556162.8702 6.2366 6.4810 PRESSURE: 2490200 100.171 40.4531 -3.17579 40.4525 348.063 -35.5185 -3.17628 -35.5171 -217.029 GPRESSURE: 2490200 128.189 37.8859 87.2788 14.1391 380.908 80.6797 64.427 11.5242 -199.018 PRESSAVG: 2490200 15.5604 19.9004 7.86046 19.9005 -14.5951 -12.2595 7.86055 -12.2594 26.5315 GPRESSAVG: 2490200 16.2697 20.8485 8.42837 19.1514 -16.2101 -9.20526 8.55221 -13.1563 27.0183 TIMING: 2490200 CPU: 7226.23, 0.00289713/step Wall: 7226.23, 0.00289713/step, 2.01978 hours remaining, 207.625000 MB of memory in use. ENERGY: 2490200 763.6132 2041.9584 1965.9948 117.6135 -206447.9007 17884.1187 0.0000 0.0000 34343.5357 -149331.0664 299.9306 -183674.6021 -149231.7901 298.9930 77.0684 103.3596 556690.9652 9.1656 9.0260 PRESSURE: 2490400 66.5594 -11.7662 96.5695 -11.7662 -119.94 21.5452 96.5679 21.5437 -297.058 GPRESSURE: 2490400 128.91 -13.4767 146.18 -74.0694 -124.128 27.179 17.6365 43.7782 -252.298 PRESSAVG: 2490400 2.80551 -3.24242 22.0563 -3.24231 -28.2295 -8.86193 22.0563 -8.86202 10.1175 GPRESSAVG: 2490400 0.244167 -1.64981 21.7085 -6.22015 -27.4511 -8.972 21.9657 -8.5354 11.3371 TIMING: 2490400 CPU: 7226.81, 0.00290911/step Wall: 7226.81, 0.00290911/step, 2.02797 hours remaining, 207.625000 MB of memory in use. ENERGY: 2490400 727.0125 2029.7589 1961.9654 121.7265 -206199.9630 17820.6121 0.0000 0.0000 34226.1644 -149312.7231 298.9056 -183538.8875 -149213.9872 299.8284 -116.8129 -82.5053 558416.9846 -5.1022 -5.2899 PRESSURE: 2490600 -243.588 -51.3179 -17.5624 -51.3187 -192.576 14.6433 -17.561 14.6416 -183.551 GPRESSURE: 2490600 -256.042 -109.069 76.3024 88.185 -145.624 5.96369 1.38473 -3.12215 -111.256 PRESSAVG: 2490600 -3.62764 42.5131 -23.5283 42.5132 17.7689 82.7058 -23.5284 82.7058 -11.9869 GPRESSAVG: 2490600 -3.18188 39.5852 -22.1652 46.6085 17.9357 80.2035 -25.1476 83.8659 -12.5939 TIMING: 2490600 CPU: 7227.39, 0.0028718/step Wall: 7227.39, 0.0028718/step, 2.0018 hours remaining, 207.625000 MB of memory in use. ENERGY: 2490600 774.2633 2117.6890 2002.4478 123.6492 -206067.0060 17624.4573 0.0000 0.0000 34214.2354 -149210.2640 298.8014 -183424.4994 -149109.3201 299.1578 -206.5720 -170.9740 558669.4324 0.7181 0.7200 PRESSURE: 2490800 -11.258 -48.1748 34.2731 -48.1734 -60.5346 -188.703 34.2725 -188.702 -130.152 GPRESSURE: 2490800 22.843 -138.193 -91.7108 -35.0807 -23.5062 -92.219 150.156 -222.782 -102.943 PRESSAVG: 2490800 19.7292 -67.904 -18.4299 -67.9039 79.8713 1.11023 -18.4299 1.11024 -43.2363 GPRESSAVG: 2490800 20.9777 -69.4563 -20.0954 -67.7134 80.1132 3.4955 -16.1811 -1.71495 -44.3535 TIMING: 2490800 CPU: 7227.97, 0.00290526/step Wall: 7227.97, 0.00290526/step, 2.02496 hours remaining, 207.625000 MB of memory in use. ENERGY: 2490800 753.4482 2085.0513 2007.9872 111.2601 -206105.3732 17721.2061 0.0000 0.0000 34340.6337 -149085.7865 299.9053 -183426.4201 -148980.8947 299.0052 -67.3148 -34.5354 559947.7460 18.7881 18.9124 PRESSURE: 2491000 25.5467 -45.2627 -90.9536 -45.2637 -242.408 -7.98704 -90.9539 -7.98672 143.421 GPRESSURE: 2491000 59.692 14.9623 -41.5855 -78.1745 -222.156 37.6237 8.14273 -61.9004 198.937 PRESSAVG: 2491000 28.3291 -17.7934 -4.60825 -17.7934 36.4871 12.198 -4.60829 12.1979 -66.8195 GPRESSAVG: 2491000 28.1518 -15.2375 -3.64472 -20.2831 36.2397 9.85625 -5.68986 14.0811 -66.4716 TIMING: 2491000 CPU: 7228.55, 0.00290597/step Wall: 7228.55, 0.00290597/step, 2.0253 hours remaining, 207.625000 MB of memory in use. ENERGY: 2491000 759.5546 2148.8568 1952.6942 107.1525 -206255.6098 17885.3696 0.0000 0.0000 34407.8453 -148994.1368 300.4923 -183401.9821 -148899.9013 300.3979 -24.4802 12.1578 559246.9567 -0.6677 -0.6934 PRESSURE: 2491200 -242.203 70.0334 19.8188 70.0331 92.0803 55.1465 19.8183 55.1465 20.168 GPRESSURE: 2491200 -167.173 76.1617 68.3492 151.699 52.1072 39.4366 51.1161 50.5167 80.9332 PRESSAVG: 2491200 -6.97691 -21.0576 -20.6824 -21.0577 38.2116 -4.35308 -20.6824 -4.35299 0.287329 GPRESSAVG: 2491200 -6.50301 -22.6398 -20.2233 -20.2263 36.8539 -2.99734 -21.609 -3.28468 2.06983 TIMING: 2491200 CPU: 7229.13, 0.00290397/step Wall: 7229.13, 0.00290397/step, 2.02375 hours remaining, 207.828125 MB of memory in use. ENERGY: 2491200 746.4970 2145.7170 1952.2228 127.5754 -206007.7149 17595.4661 0.0000 0.0000 34317.0782 -149123.1585 299.6996 -183440.2367 -149028.3258 300.0372 -43.3181 -11.3776 557113.9872 10.5074 10.8069 PRESSURE: 2491400 -78.4959 48.886 -93.1188 48.8853 -174.437 74.8473 -93.1198 74.8474 -306.15 GPRESSURE: 2491400 -64.6343 83.2864 -206.719 4.59022 -87.2997 65.3049 -59.0858 82.0307 -317.603 PRESSAVG: 2491400 28.698 -0.57274 3.51106 -0.572761 -13.9117 56.0667 3.51103 56.0667 -3.81111 GPRESSAVG: 2491400 28.7463 -0.0578613 3.4543 0.344923 -12.7286 55.3618 2.97651 55.8323 -5.37183 TIMING: 2491400 CPU: 7229.71, 0.0028985/step Wall: 7229.71, 0.0028985/step, 2.01977 hours remaining, 207.828125 MB of memory in use. ENERGY: 2491400 721.2073 2088.7653 1948.1120 126.8454 -205860.0071 17518.6849 0.0000 0.0000 34297.4695 -149158.9227 299.5283 -183456.3923 -149064.1542 299.3547 -186.3610 -156.5124 559053.2189 3.6584 3.5486 PRESSURE: 2491600 36.9 128.193 -132.722 128.193 -471.173 8.91958 -132.722 8.91832 -286.087 GPRESSURE: 2491600 66.0033 122.012 -116.614 52.7466 -427.523 41.1857 6.03206 9.44051 -252.471 PRESSAVG: 2491600 59.7565 86.9701 22.3711 86.9701 -47.1575 48.4775 22.371 48.4775 34.289 GPRESSAVG: 2491600 59.673 86.7807 21.9909 85.6601 -47.5018 47.4092 22.6577 51.0034 34.1424 TIMING: 2491600 CPU: 7230.29, 0.00292596/step Wall: 7230.29, 0.00292596/step, 2.03874 hours remaining, 207.828125 MB of memory in use. ENERGY: 2491600 730.8239 2087.1796 1967.7419 113.8612 -205602.5717 17298.6518 0.0000 0.0000 34164.0693 -149240.2441 298.3633 -183404.3133 -149146.4808 298.8388 -240.1200 -204.6634 558764.6949 15.6293 15.4379 PRESSURE: 2491800 120.024 187.774 141.775 187.774 189.593 -168.84 141.773 -168.84 64.6544 GPRESSURE: 2491800 136.005 93.105 159.139 255.466 224.679 -181.281 258.461 -114.714 112.366 PRESSAVG: 2491800 17.9496 57.0485 57.2697 57.0485 8.11307 40.2641 57.2697 40.2642 -65.1729 GPRESSAVG: 2491800 16.662 57.5925 55.9068 57.228 9.23059 42.4228 60.4734 39.4579 -64.7369 TIMING: 2491800 CPU: 7230.88, 0.00292925/step Wall: 7230.88, 0.00292925/step, 2.04087 hours remaining, 207.828125 MB of memory in use. ENERGY: 2491800 708.4820 2129.5666 1950.0018 115.5308 -206570.6296 18071.5572 0.0000 0.0000 34272.0940 -149323.3972 299.3067 -183595.4913 -149235.7613 299.1230 124.7571 157.6835 558488.3620 -13.0367 -12.9481 PRESSURE: 2492000 31.4596 -22.436 125.538 -22.4354 425.393 -66.0219 125.538 -66.023 70.6819 GPRESSURE: 2492000 119.008 10.5138 145.424 47.0771 459.777 -33.025 66.2886 -70.122 47.7344 PRESSAVG: 2492000 55.1389 -2.53386 -13.243 -2.53378 30.6487 -42.6669 -13.243 -42.667 -64.8335 GPRESSAVG: 2492000 56.9206 -2.13458 -12.7892 -2.43823 30.1215 -42.5418 -13.2445 -44.1102 -66.1302 TIMING: 2492000 CPU: 7231.47, 0.00294893/step Wall: 7231.47, 0.00294893/step, 2.05442 hours remaining, 207.828125 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: 2492000 724.0554 2038.9818 1986.1854 123.0821 -206760.5543 18144.9264 0.0000 0.0000 34254.6994 -149488.6238 299.1548 -183743.3233 -149381.7231 298.1764 175.8449 208.8397 558357.4962 6.9847 6.9707 PRESSURE: 2492200 -5.19827 97.3801 4.00651 97.3805 -308.841 -20.5132 4.00679 -20.5132 -280.451 GPRESSURE: 2492200 44.6115 73.0479 43.5958 213.1 -300.108 39.1223 -93.4698 -0.768192 -252.84 PRESSAVG: 2492200 9.07019 -59.13 -35.8222 -59.1299 -11.6169 45.744 -35.8223 45.7441 -4.69173 GPRESSAVG: 2492200 8.23198 -60.4693 -35.5847 -57.815 -13.3327 44.2024 -39.2611 46.757 -2.3613 TIMING: 2492200 CPU: 7232.06, 0.00294016/step Wall: 7232.06, 0.00294016/step, 2.04815 hours remaining, 207.828125 MB of memory in use. ENERGY: 2492200 774.8261 2041.1659 1969.3302 116.9168 -206169.9570 17601.9149 0.0000 0.0000 34254.1019 -149411.7013 299.1496 -183665.8032 -149309.5834 298.0486 -198.1634 -169.4455 559172.5906 -2.4128 -2.4873 LDB: ============= START OF LOAD BALANCING ============== 7235.52 LDB: ============== END OF LOAD BALANCING =============== 7235.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7235.52 LDB: ============= START OF LOAD BALANCING ============== 7235.82 LDB: Largest compute 4821 load 0.032903 is 28.0% of average load 0.117695 LDB: Average compute 0.001717 is 1.5% of average load 0.117695 LDB: TIME 7235.82 LOAD: AVG 0.117695 MAX 0.176485 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.164 MB LDB: TIME 7235.82 LOAD: AVG 0.117695 MAX 0.176485 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: TIME 7235.82 LOAD: AVG 0.117695 MAX 0.176485 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7235.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7235.83 PRESSURE: 2492400 -233.429 -83.5439 125.277 -83.5437 -396.032 -247.598 125.277 -247.599 66.7947 GPRESSURE: 2492400 -227.202 -45.7118 130.241 -94.8754 -335.908 -243.355 116.332 -220.59 102.243 PRESSAVG: 2492400 44.0316 -12.2831 16.0515 -12.283 -36.9122 -37.0139 16.0515 -37.0138 -5.3746 GPRESSAVG: 2492400 43.6994 -11.0663 16.3523 -15.1992 -36.3759 -35.6267 17.3267 -36.2136 -6.17178 TIMING: 2492400 CPU: 7232.65, 0.00296456/step Wall: 7232.65, 0.00296456/step, 2.06498 hours remaining, 206.640625 MB of memory in use. ENERGY: 2492400 765.4134 2055.7876 1960.5317 115.6969 -206381.4794 17708.8336 0.0000 0.0000 34193.8112 -149581.4049 298.6231 -183775.2162 -149488.7010 298.0478 -187.5552 -153.6222 557610.7208 0.5816 0.3839 PRESSURE: 2492600 38.3477 -171.76 20.1934 -171.76 -63.0574 -4.39242 20.193 -4.39215 38.4134 GPRESSURE: 2492600 114.272 -106.424 90.7746 -106.764 -24.6226 86.7443 32.8574 15.3161 13.8052 PRESSAVG: 2492600 44.3396 -45.7482 36.854 -45.7482 -21.7956 6.6004 36.854 6.6004 32.3607 GPRESSAVG: 2492600 45.7475 -46.4682 37.0796 -44.5706 -21.6985 6.14069 37.6762 5.94247 30.6358 TIMING: 2492600 CPU: 7233.24, 0.00292957/step Wall: 7233.24, 0.00292957/step, 2.04044 hours remaining, 206.710938 MB of memory in use. ENERGY: 2492600 754.9366 2042.7651 1951.3984 125.9558 -206623.8084 17951.6808 0.0000 0.0000 34255.5166 -149541.5551 299.1619 -183797.0717 -149443.4139 298.9936 4.5679 34.4850 555864.6442 18.3016 18.2283 PRESSURE: 2492800 -93.5641 167.084 119.734 167.084 -101.903 57.722 119.732 57.7199 21.1866 GPRESSURE: 2492800 -66.8082 206.262 165.943 132.489 -48.6898 107.427 87.4905 84.6672 44.7492 PRESSAVG: 2492800 13.2175 -16.2745 16.641 -16.2745 -55.1344 -9.50901 16.641 -9.50911 41.5043 GPRESSAVG: 2492800 13.0353 -16.0202 16.4482 -16.089 -55.3646 -9.46775 17.8004 -10.1108 41.9929 TIMING: 2492800 CPU: 7233.82, 0.00290908/step Wall: 7233.82, 0.00290908/step, 2.02601 hours remaining, 206.710938 MB of memory in use. ENERGY: 2492800 756.4715 2057.8216 1982.3590 113.9159 -206349.7903 17729.1426 0.0000 0.0000 34232.3066 -149477.7733 298.9592 -183710.0798 -149379.6631 298.7791 -58.0935 -23.5829 557489.3845 -0.1375 -0.1121 PRESSURE: 2493000 3.37042 -5.94204 14.904 -5.94322 -28.099 -26.9092 14.9042 -26.9096 -160.83 GPRESSURE: 2493000 63.8108 -24.1535 -29.4502 -55.5572 28.4953 46.698 -8.60617 -131.092 -169.187 PRESSAVG: 2493000 14.5336 -19.7933 22.0274 -19.7934 10.6708 -63.8249 22.0274 -63.8249 -22.3938 GPRESSAVG: 2493000 13.4633 -19.2318 22.1095 -21.6034 10.4684 -62.6029 20.6501 -65.5003 -21.2296 TIMING: 2493000 CPU: 7234.4, 0.0029309/step Wall: 7234.4, 0.0029309/step, 2.04105 hours remaining, 206.914062 MB of memory in use. ENERGY: 2493000 784.7548 2121.3006 1936.4066 112.7838 -206426.0629 17820.9726 0.0000 0.0000 34014.6465 -149635.1980 297.0584 -183649.8446 -149545.3018 298.9332 -61.8528 -25.6268 557367.4574 0.9369 0.9007 PRESSURE: 2493200 -124.296 31.8255 117.357 31.8263 -57.0129 -36.5489 117.357 -36.5474 -108.958 GPRESSURE: 2493200 -126.492 11.9 140.779 78.0336 -1.71232 -129.492 183.507 26.3113 -64.1229 PRESSAVG: 2493200 25.4363 42.5458 -1.70539 42.5458 -26.9683 -15.5893 -1.70536 -15.5893 40.5333 GPRESSAVG: 2493200 25.3785 43.2513 -1.16907 44.6239 -25.2967 -16.7334 -2.18083 -13.4012 39.3645 TIMING: 2493200 CPU: 7234.99, 0.00293339/step Wall: 7234.99, 0.00293339/step, 2.04262 hours remaining, 206.914062 MB of memory in use. ENERGY: 2493200 768.9831 2037.1127 1975.8743 126.8551 -206167.1467 17581.9435 0.0000 0.0000 34071.9131 -149604.4649 297.5585 -183676.3781 -149508.6986 297.9913 -96.7559 -64.1090 556824.0490 13.0004 13.1488 PRESSURE: 2493400 45.009 -11.2005 -170.662 -11.2009 -327.792 33.2217 -170.662 33.2213 -16.4025 GPRESSURE: 2493400 19.7842 -0.897476 -90.1603 -8.68462 -265.182 -19.6933 -127.629 74.2553 34.8807 PRESSAVG: 2493400 -21.1012 79.0106 4.42044 79.0106 33.3115 5.1569 4.42051 5.15695 -9.15582 GPRESSAVG: 2493400 -21.1113 79.2084 5.41053 77.9094 33.009 4.64067 5.08549 5.17541 -8.82025 TIMING: 2493400 CPU: 7235.57, 0.00291613/step Wall: 7235.57, 0.00291613/step, 2.03044 hours remaining, 206.914062 MB of memory in use. ENERGY: 2493400 761.1802 2046.2498 2020.0490 115.6485 -206086.3484 17626.1888 0.0000 0.0000 33996.7386 -149520.2934 296.9020 -183517.0320 -149418.2357 297.9398 -99.7285 -70.1723 557712.6780 1.0182 1.0258 PRESSURE: 2493600 -197.057 100.734 -5.27192 100.734 -335.995 -14.6932 -5.27128 -14.6921 -118.999 GPRESSURE: 2493600 -132.453 44.5022 66.6294 204.412 -353.622 -13.0521 57.6454 42.3671 -75.184 PRESSAVG: 2493600 4.9262 39.9461 0.754208 39.946 -28.3838 18.8767 0.75408 18.8767 0.0180885 GPRESSAVG: 2493600 5.13976 39.1918 1.30924 40.5072 -29.4459 19.4989 -1.74277 18.6269 0.0129327 TIMING: 2493600 CPU: 7236.16, 0.0029229/step Wall: 7236.16, 0.0029229/step, 2.03499 hours remaining, 206.914062 MB of memory in use. ENERGY: 2493600 755.9312 2036.0820 1952.2973 119.2962 -205995.8739 17460.3102 0.0000 0.0000 34085.2878 -149586.6692 297.6753 -183671.9570 -149490.0205 298.1043 -217.3503 -187.0861 557171.4016 -7.8132 -8.0977 PRESSURE: 2493800 207.025 -84.8805 -45.2076 -84.8813 53.7674 -25.0666 -45.2068 -25.0672 -15.3434 GPRESSURE: 2493800 276.256 -85.4853 -63.3396 -125.471 22.7869 -14.2943 2.57345 3.47555 59.5255 PRESSAVG: 2493800 -11.258 15.5996 -8.50466 15.5996 18.7042 -35.3511 -8.50458 -35.3512 6.05783 GPRESSAVG: 2493800 -10.4618 17.9797 -11.0081 12.086 17.9627 -36.0326 -6.75901 -35.2243 5.80733 TIMING: 2493800 CPU: 7236.74, 0.00292663/step Wall: 7236.74, 0.00292663/step, 2.03742 hours remaining, 206.914062 MB of memory in use. ENERGY: 2493800 724.9870 2102.6168 1967.4073 110.6838 -206448.4062 18076.6805 0.0000 0.0000 33986.9250 -149479.1058 296.8163 -183466.0308 -149383.7184 298.3876 81.8162 119.5229 557545.5551 4.5013 4.4361 PRESSURE: 2494000 -320.537 -107.482 -53.2635 -107.483 -203.444 -47.1745 -53.2651 -47.1738 48.1228 GPRESSURE: 2494000 -272.18 -145.545 28.5366 -84.4289 -184.894 32.0198 -113.553 -82.254 72.7844 PRESSAVG: 2494000 -12.1001 22.452 70.2784 22.452 -7.88166 -16.9192 70.2784 -16.9193 32.2914 GPRESSAVG: 2494000 -12.1582 21.9206 69.6098 24.5331 -7.62429 -15.1907 70.3622 -17.9851 32.6035 TIMING: 2494000 CPU: 7237.33, 0.00293837/step Wall: 7237.33, 0.00293837/step, 2.04543 hours remaining, 206.914062 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: 2494000 755.1851 2035.6211 1977.8754 117.7878 -205694.0817 17470.6344 0.0000 0.0000 33990.6191 -149346.3588 296.8485 -183336.9779 -149250.4411 298.7241 -158.6196 -128.0967 557805.9682 4.1032 4.2736 PRESSURE: 2494200 -114.485 -200.632 239.391 -200.633 -403.39 17.0834 239.39 17.0817 -203.701 GPRESSURE: 2494200 -81.5149 -323.324 188.42 -64.9418 -329.289 21.9905 260.151 15.7051 -205.28 PRESSAVG: 2494200 -8.48111 4.46579 5.54664 4.4657 -50.2426 -36.5384 5.54655 -36.5384 33.8016 GPRESSAVG: 2494200 -10.6094 3.26696 6.52945 5.09089 -48.2506 -36.7545 4.82153 -36.8723 34.1255 TIMING: 2494200 CPU: 7237.92, 0.00293132/step Wall: 7237.92, 0.00293132/step, 2.04036 hours remaining, 206.914062 MB of memory in use. ENERGY: 2494200 752.2646 2056.8757 1967.6837 107.2377 -205676.2895 17398.5072 0.0000 0.0000 33943.7977 -149449.9228 296.4396 -183393.7205 -149356.4515 298.8418 -240.5253 -205.3612 558134.2575 -8.3074 -8.2448 PRESSURE: 2494400 6.07675 75.5622 86.5935 75.5623 -147.651 -66.4506 86.594 -66.4516 -258.424 GPRESSURE: 2494400 2.67136 96.0203 58.7237 18.5315 -99.0248 -13.712 65.8812 -36.4712 -210.549 PRESSAVG: 2494400 8.11577 -23.7785 -40.0187 -23.7785 34.7785 15.4913 -40.0187 15.4913 -14.7304 GPRESSAVG: 2494400 9.52668 -23.2181 -39.3583 -24.39 32.7909 16.3943 -40.7958 16.2041 -15.0082 TIMING: 2494400 CPU: 7238.5, 0.00289348/step Wall: 7238.5, 0.00289348/step, 2.01386 hours remaining, 206.914062 MB of memory in use. ENERGY: 2494400 749.1495 2066.4882 1942.1939 110.0778 -206111.3990 17624.0186 0.0000 0.0000 34280.1296 -149339.3413 299.3769 -183619.4709 -149237.7632 298.1373 -133.3328 -102.3008 557408.7734 9.3879 9.1031 PRESSURE: 2494600 -104.887 -2.56388 189.224 -2.56357 -10.2994 48.4846 189.223 48.4817 -15.1658 GPRESSURE: 2494600 -42.0388 43.6894 199.215 40.603 5.05272 -2.44145 190.79 90.7047 18.3611 PRESSAVG: 2494600 -57.6897 -30.4465 34.5391 -30.4465 48.4138 -2.68892 34.539 -2.68886 8.11791 GPRESSAVG: 2494600 -58.458 -31.1384 32.831 -29.0888 48.5339 -2.94935 35.3625 -3.70753 9.38137 TIMING: 2494600 CPU: 7239.08, 0.00289694/step Wall: 7239.08, 0.00289694/step, 2.01611 hours remaining, 206.914062 MB of memory in use. ENERGY: 2494600 738.6529 2056.9001 1946.8613 112.4056 -206182.4005 17727.0139 0.0000 0.0000 34382.3581 -149218.2086 300.2697 -183600.5667 -149124.4010 299.4731 -43.4506 -6.2083 557926.9384 -0.3860 -0.1809 PRESSURE: 2494800 84.8192 91.7257 -256.184 91.724 -154.783 112.442 -256.184 112.442 -78.1838 GPRESSURE: 2494800 59.2649 87.7542 -295.442 -35.9713 -188.41 65.02 -180.426 78.0974 79.7065 PRESSAVG: 2494800 37.2473 41.1004 -3.49838 41.1004 -29.5628 48.3653 -3.49834 48.3653 -2.06046 GPRESSAVG: 2494800 37.9672 41.9106 -3.36825 38.1348 -29.242 48.4071 -2.58094 48.7678 -3.07785 TIMING: 2494800 CPU: 7239.66, 0.00289957/step Wall: 7239.66, 0.00289957/step, 2.01778 hours remaining, 206.914062 MB of memory in use. ENERGY: 2494800 774.3381 2084.9981 1973.5205 119.1057 -206083.5277 17691.8071 0.0000 0.0000 34354.1310 -149085.6271 300.0232 -183439.7581 -148987.1623 298.9669 -49.3825 -16.4795 556201.1463 1.8747 1.8824 PRESSURE: 2495000 -351.372 -30.2812 -148.972 -30.2797 32.0922 33.5428 -148.973 33.5434 -221.442 GPRESSURE: 2495000 -290.904 53.169 -157.261 1.9955 39.7445 57.123 -187.377 51.2819 -203.767 PRESSAVG: 2495000 45.052 16.3187 -14.4879 16.3187 -39.6424 23.9519 -14.488 23.9519 41.5999 GPRESSAVG: 2495000 45.1102 15.7554 -11.5809 19.1239 -39.9917 23.6813 -15.8116 22.4674 42.0349 TIMING: 2495000 CPU: 7240.23, 0.00289265/step Wall: 7240.23, 0.00289265/step, 2.0128 hours remaining, 206.925781 MB of memory in use. ENERGY: 2495000 765.0339 2136.2297 1977.0117 116.1073 -205685.4714 17559.4966 0.0000 0.0000 33964.1272 -149167.4649 296.6172 -183131.5921 -149070.9856 299.2870 -180.2408 -151.6422 558871.2382 15.6698 15.7178 PRESSURE: 2495200 261.556 -223.187 52.1232 -223.187 -115.449 52.1742 52.1225 52.1723 -77.7773 GPRESSURE: 2495200 355.328 -318.142 68.4329 -199.629 -115.51 33.669 -6.4195 -70.9711 -74.2099 PRESSAVG: 2495200 9.06224 -10.7085 -4.62124 -10.7086 -39.3639 38.7663 -4.62113 38.7663 28.9484 GPRESSAVG: 2495200 9.69786 -10.0283 -7.55632 -13.4698 -40.1599 38.6981 -1.53138 41.7196 28.8082 TIMING: 2495200 CPU: 7240.81, 0.00290398/step Wall: 7240.81, 0.00290398/step, 2.02053 hours remaining, 206.925781 MB of memory in use. ENERGY: 2495200 709.9420 2106.2880 1976.2406 121.7621 -205897.2299 17626.8057 0.0000 0.0000 34128.4196 -149227.7719 298.0520 -183356.1915 -149134.9618 299.5793 22.7766 55.2029 557994.9794 -0.4511 -0.5513 PRESSURE: 2495400 -231.392 -12.5254 102.013 -12.5256 -131.671 -3.13042 102.012 -3.13025 -131.042 GPRESSURE: 2495400 -201.435 -46.3704 168.757 -47.0079 -95.0026 -21.6749 110.104 -58.3974 -96.0679 PRESSAVG: 2495400 92.5278 -12.7154 1.42039 -12.7155 9.44159 12.6784 1.42045 12.6784 -43.1922 GPRESSAVG: 2495400 92.7408 -13.994 3.15879 -10.1293 9.10337 10.5693 -0.668019 13.7841 -42.8684 TIMING: 2495400 CPU: 7241.39, 0.00288381/step Wall: 7241.39, 0.00288381/step, 2.00633 hours remaining, 206.925781 MB of memory in use. ENERGY: 2495400 759.4369 2069.5526 1977.0210 121.6663 -205741.7948 17500.7010 0.0000 0.0000 34186.6546 -149126.7624 298.5606 -183313.4170 -149031.6078 299.7433 -164.7016 -130.8353 557714.5697 19.5924 19.6586 PRESSURE: 2495600 153.574 81.9304 -4.09491 81.9315 -60.899 22.4212 -4.09593 22.4204 308.889 GPRESSURE: 2495600 219.699 54.0083 48.4187 108.945 -26.0534 33.7125 -90.1374 -14.1013 313.396 PRESSAVG: 2495600 53.5766 9.90367 8.35924 9.90368 -64.4376 44.7628 8.35914 44.7627 50.4771 GPRESSAVG: 2495600 52.269 9.51544 7.76826 10.3331 -62.7409 44.9256 9.0314 44.0819 50.4627 TIMING: 2495600 CPU: 7241.98, 0.00292267/step Wall: 7241.98, 0.00292267/step, 2.0332 hours remaining, 206.925781 MB of memory in use. ENERGY: 2495600 751.9904 2074.2220 1967.6144 122.0355 -206439.8885 18077.9164 0.0000 0.0000 34332.2963 -149113.8135 299.8325 -183446.1098 -149017.0196 300.4611 133.8548 169.0138 556855.2056 13.2054 13.3302 PRESSURE: 2495800 -286.984 72.8318 21.695 72.8323 -184.537 -8.04783 21.6948 -8.04874 -127.479 GPRESSURE: 2495800 -272.247 117.826 102.718 100.609 -125.946 -17.6449 72.3145 -57.7443 -105.134 PRESSAVG: 2495800 -24.3444 -0.0228806 -2.3649 -0.0229361 -10.1251 -24.2898 -2.36489 -24.2899 3.33938 GPRESSAVG: 2495800 -24.8817 -0.973052 -2.34965 -0.27395 -9.87128 -22.8683 -1.94774 -24.4827 3.80061 TIMING: 2495800 CPU: 7242.55, 0.00288639/step Wall: 7242.55, 0.00288639/step, 2.0078 hours remaining, 206.925781 MB of memory in use. ENERGY: 2495800 772.7386 2025.5512 1982.5796 100.5617 -206384.6654 17852.2691 0.0000 0.0000 34334.5387 -149316.4266 299.8521 -183650.9653 -149221.2139 299.4923 -199.6667 -167.7758 558412.1539 -10.3767 -10.3174 PRESSURE: 2496000 141.184 -37.5881 15.204 -37.5878 40.499 139.632 15.2047 139.631 4.76986 GPRESSURE: 2496000 169.377 2.95796 -72.2608 -66.8033 120.425 160.301 57.2134 114.781 -1.88083 PRESSAVG: 2496000 1.13461 31.9876 19.0372 31.9876 -48.1353 7.69761 19.0373 7.69763 52.4146 GPRESSAVG: 2496000 2.44085 33.6981 20.1934 29.4603 -49.482 4.57862 16.391 8.13255 52.9377 TIMING: 2496000 CPU: 7243.14, 0.00292908/step Wall: 7243.14, 0.00292908/step, 2.03734 hours remaining, 206.925781 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: 2496000 756.7255 2067.8529 1978.0831 114.4473 -206481.1718 17972.1148 0.0000 0.0000 34398.3327 -149193.6155 300.4092 -183591.9482 -149097.2233 299.1150 62.1508 95.9735 557446.3525 1.8046 1.9655 PRESSURE: 2496200 -229.932 -86.3841 -57.1393 -86.385 -312.195 340.832 -57.1403 340.832 -483.993 GPRESSURE: 2496200 -212.267 -82.5485 -143.564 -51.7842 -247.846 351.313 -60.9808 329.13 -461.391 PRESSAVG: 2496200 23.4935 -9.71854 -4.72672 -9.71858 42.9389 58.9318 -4.72675 58.9318 -66.7086 GPRESSAVG: 2496200 22.8238 -9.33084 -6.30761 -7.18033 44.1475 60.8207 -2.00337 60.0905 -67.5463 TIMING: 2496200 CPU: 7243.72, 0.00290823/step Wall: 7243.72, 0.00290823/step, 2.02268 hours remaining, 206.925781 MB of memory in use. ENERGY: 2496200 744.2193 2106.4325 1976.1174 117.0994 -205891.8305 17360.3502 0.0000 0.0000 34424.9367 -149162.6749 300.6415 -183587.6117 -149062.2713 299.2475 -342.0403 -307.1680 557783.6148 -0.0921 -0.1917 LDB: ============= START OF LOAD BALANCING ============== 7247.19 LDB: ============== END OF LOAD BALANCING =============== 7247.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7247.19 LDB: ============= START OF LOAD BALANCING ============== 7247.48 LDB: Largest compute 4821 load 0.031352 is 26.6% of average load 0.117754 LDB: Average compute 0.001719 is 1.5% of average load 0.117754 LDB: TIME 7247.48 LOAD: AVG 0.117754 MAX 0.177775 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.934 MB LDB: TIME 7247.48 LOAD: AVG 0.117754 MAX 0.177775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.176 MB LDB: TIME 7247.48 LOAD: AVG 0.117754 MAX 0.177775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.176 MB LDB: ============== END OF LOAD BALANCING =============== 7247.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7247.49 PRESSURE: 2496400 -93.6229 -230.375 -17.7163 -230.376 7.6837 32.715 -17.7166 32.714 -118.764 GPRESSURE: 2496400 -87.2663 -236.085 -72.1453 -202.286 0.581876 20.1932 40.3343 69.1022 -17.0626 PRESSAVG: 2496400 -4.1251 -53.5982 42.1986 -53.5982 -22.7672 -12.4578 42.1986 -12.4577 29.1458 GPRESSAVG: 2496400 -4.94542 -54.5439 42.7246 -55.8692 -22.4574 -11.0863 42.6004 -13.0625 29.728 TIMING: 2496400 CPU: 7244.31, 0.00296311/step Wall: 7244.31, 0.00296311/step, 2.06068 hours remaining, 207.671875 MB of memory in use. ENERGY: 2496400 761.3902 2099.8756 1974.5705 104.6497 -206406.2355 17823.9244 0.0000 0.0000 34370.6041 -149271.2210 300.1670 -183641.8251 -149180.8705 299.3611 -68.2345 -34.5824 558960.5686 0.7512 0.7751 PRESSURE: 2496600 52.7884 -14.5408 13.4893 -14.5421 -97.7665 44.6767 13.4888 44.6763 -84.3623 GPRESSURE: 2496600 56.8836 75.8786 -56.2644 -88.6746 -90.0966 12.5905 -75.2749 87.1257 -1.29169 PRESSAVG: 2496600 -1.70138 -76.8869 -17.5012 -76.8868 -30.8717 -56.7699 -17.5012 -56.77 29.4516 GPRESSAVG: 2496600 -0.641464 -74.7034 -18.0334 -76.9784 -30.5106 -58.0571 -18.4795 -57.3068 28.3274 TIMING: 2496600 CPU: 7244.9, 0.00290891/step Wall: 7244.9, 0.00290891/step, 2.02283 hours remaining, 207.742188 MB of memory in use. ENERGY: 2496600 745.3826 2106.8163 1962.6567 105.3990 -206226.5699 17773.8214 0.0000 0.0000 34024.3400 -149508.1538 297.1430 -183532.4938 -149415.4924 298.5627 -43.1135 -11.5016 557656.4435 -1.0405 -0.9416 PRESSURE: 2496800 227.022 -179.467 86.9454 -179.466 -104.234 63.2471 86.9445 63.2471 210.838 GPRESSURE: 2496800 251.275 -129.681 121.245 -114.248 -67.8349 55.6917 61.0255 111.532 253.688 PRESSAVG: 2496800 -18.6743 -20.9096 -43.4132 -20.9096 -18.535 -9.88804 -43.4133 -9.88806 18.8322 GPRESSAVG: 2496800 -18.8157 -22.3922 -43.2594 -19.3901 -19.1551 -8.75175 -43.9097 -10.7143 19.7421 TIMING: 2496800 CPU: 7245.48, 0.00291459/step Wall: 7245.48, 0.00291459/step, 2.02661 hours remaining, 207.742188 MB of memory in use. ENERGY: 2496800 733.7307 2083.7943 1974.9212 111.4936 -206212.9217 17815.9976 0.0000 0.0000 33968.1320 -149524.8522 296.6521 -183492.9842 -149439.5263 297.9868 111.2088 145.7096 558424.7753 -6.1257 -6.0762 PRESSURE: 2497000 -30.6324 -109.132 23.0405 -109.133 156.818 -34.5007 23.0383 -34.5011 57.8149 GPRESSURE: 2497000 -14.2483 -24.7152 25.3072 -178.504 206.959 3.49395 33.7994 -78.9258 87.4352 PRESSAVG: 2497000 -24.148 -13.8185 20.9888 -13.8185 -30.0038 41.5435 20.9889 41.5433 16.2793 GPRESSAVG: 2497000 -24.2332 -12.509 22.5533 -14.6241 -29.5765 41.7787 20.8495 39.6714 16.0779 TIMING: 2497000 CPU: 7246.06, 0.0028989/step Wall: 7246.06, 0.0028989/step, 2.01554 hours remaining, 207.742188 MB of memory in use. ENERGY: 2497000 758.3200 2128.3203 1958.0848 125.7526 -206469.9736 18021.4026 0.0000 0.0000 34054.0891 -149424.0042 297.4028 -183478.0934 -149328.6488 297.9679 61.3336 93.3820 558193.5157 -12.6242 -12.5773 PRESSURE: 2497200 164.627 44.9019 118.528 44.9022 104.434 -84.365 118.527 -84.3663 199.62 GPRESSURE: 2497200 200.211 125.76 134.061 0.936056 190.492 -48.306 86.122 -136.391 179.444 PRESSAVG: 2497200 -26.3406 -72.6728 -23.8825 -72.6728 -0.6061 33.9117 -23.8824 33.9117 29.4547 GPRESSAVG: 2497200 -24.5805 -73.1657 -25.8192 -72.5451 -0.00395464 32.1118 -24.2025 35.5377 27.5508 TIMING: 2497200 CPU: 7246.64, 0.00290563/step Wall: 7246.64, 0.00290563/step, 2.02006 hours remaining, 207.742188 MB of memory in use. ENERGY: 2497200 729.7600 2060.0072 1946.0455 113.3849 -206682.2873 18234.0610 0.0000 0.0000 34284.8659 -149314.1628 299.4183 -183599.0287 -149216.5419 298.2735 156.2271 190.0488 559157.2188 0.8360 0.9888 PRESSURE: 2497400 -107.815 -105.831 47.1114 -105.83 -225.099 53.2778 47.1102 53.2781 44.8356 GPRESSURE: 2497400 -48.0958 -57.8183 62.79 -99.6841 -182.15 7.13284 18.7712 3.267 36.753 PRESSAVG: 2497400 -9.35443 3.90687 57.2422 3.90688 -17.3092 -27.5451 57.2422 -27.545 59.1534 GPRESSAVG: 2497400 -10.012 2.49556 56.608 5.05234 -17.653 -28.0611 58.258 -26.291 61.0777 TIMING: 2497400 CPU: 7247.22, 0.00290392/step Wall: 7247.22, 0.00290392/step, 2.01871 hours remaining, 207.742188 MB of memory in use. ENERGY: 2497400 727.7091 2113.6553 1976.0683 114.3776 -206089.2046 17707.4876 0.0000 0.0000 34082.3559 -149367.5509 297.6497 -183449.9068 -149268.4411 299.2027 -96.0260 -64.4975 558190.7884 10.8299 11.1376 PRESSURE: 2497600 -87.78 44.1336 86.8908 44.133 90.6049 -76.0466 86.8915 -76.0467 -2.7842 GPRESSURE: 2497600 17.4132 -6.99574 87.8585 28.8803 37.4483 20.1467 105.202 -171.579 45.6046 PRESSAVG: 2497600 -43.4148 -42.6582 30.7308 -42.6583 12.4151 -48.9911 30.7308 -48.9911 33.3915 GPRESSAVG: 2497600 -43.6099 -39.9061 30.0397 -45.5366 12.7579 -46.3987 29.8672 -51.4982 33.2067 TIMING: 2497600 CPU: 7247.8, 0.00291206/step Wall: 7247.8, 0.00291206/step, 2.02421 hours remaining, 207.742188 MB of memory in use. ENERGY: 2497600 770.8925 2091.3241 1976.6226 109.5074 -206074.4506 17658.0220 0.0000 0.0000 34209.0706 -149259.0113 298.7563 -183468.0820 -149157.2151 298.9902 0.0136 33.4887 555337.8270 0.7973 0.7849 PRESSURE: 2497800 -119.561 47.9183 98.2725 47.918 1.47731 -9.37621 98.2718 -9.376 -30.4879 GPRESSURE: 2497800 -92.5861 -11.0683 133.869 63.0537 62.0242 23.9163 76.6787 11.6361 -20.0771 PRESSAVG: 2497800 -44.0184 4.37612 47.4358 4.37614 -37.9066 -26.7103 47.4358 -26.7103 43.9352 GPRESSAVG: 2497800 -43.4772 2.77245 47.8637 7.52672 -37.8693 -28.0901 46.7897 -26.2808 43.0211 TIMING: 2497800 CPU: 7248.38, 0.002895/step Wall: 7248.38, 0.002895/step, 2.01218 hours remaining, 207.742188 MB of memory in use. ENERGY: 2497800 745.7154 2107.9945 1985.0183 110.2199 -206360.0290 17781.4591 0.0000 0.0000 34297.3092 -149332.3126 299.5269 -183629.6218 -149240.0011 298.9724 -49.5239 -16.8797 556178.4923 -12.6632 -12.7751 PRESSURE: 2498000 -160.083 -27.4185 -78.2892 -27.4197 253.626 37.4731 -78.2894 37.4737 7.06431 GPRESSURE: 2498000 -116.859 -7.78363 -53.5978 34.1633 268.453 40.3347 -28.0042 10.8562 48.0964 PRESSAVG: 2498000 -45.0724 20.405 -8.86261 20.4051 81.9448 40.0061 -8.86258 40.0062 0.940494 GPRESSAVG: 2498000 -46.0449 20.0496 -7.14871 19.1246 82.1598 40.8652 -8.58213 39.36 1.39127 TIMING: 2498000 CPU: 7248.96, 0.00291664/step Wall: 7248.96, 0.00291664/step, 2.02707 hours remaining, 207.742188 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: 2498000 800.8245 2055.9557 1998.5620 116.7017 -206249.5494 17837.1954 0.0000 0.0000 34076.0743 -149364.2357 297.5948 -183440.3100 -149266.8910 298.4253 33.5357 66.5633 556884.4943 12.6043 12.5021 PRESSURE: 2498200 96.9568 -95.3257 -45.7909 -95.3259 -65.7774 34.9385 -45.7909 34.9397 -24.7633 GPRESSURE: 2498200 137.399 -80.6114 -54.0879 -73.8307 -77.7741 79.02 -63.4975 65.278 51.903 PRESSAVG: 2498200 -22.376 8.764 -8.37857 8.76401 13.3761 65.6148 -8.37862 65.6148 6.5466 GPRESSAVG: 2498200 -21.6778 11.3162 -9.56592 7.86461 13.0833 65.0637 -9.60274 64.5491 6.07482 TIMING: 2498200 CPU: 7249.55, 0.00293553/step Wall: 7249.55, 0.00293553/step, 2.04003 hours remaining, 207.742188 MB of memory in use. ENERGY: 2498200 746.5044 2070.8434 1973.9712 105.7504 -206332.9572 17771.8113 0.0000 0.0000 34368.3894 -149295.6872 300.1477 -183664.0766 -149202.0017 298.7067 2.1387 37.1760 556436.3963 -0.8178 -0.8399 PRESSURE: 2498400 -91.7776 -25.91 -210.662 -25.91 -27.9135 4.12749 -210.662 4.12875 103.015 GPRESSURE: 2498400 -80.3341 -43.1278 -142.471 -35.0262 38.9892 45.6728 -261.918 45.8684 122.381 PRESSAVG: 2498400 18.8434 -12.8331 -8.84179 -12.8332 16.6288 35.5231 -8.84189 35.5231 8.31492 GPRESSAVG: 2498400 18.5939 -15.3012 -6.63842 -10.42 16.205 34.6946 -9.23535 39.842 8.6634 TIMING: 2498400 CPU: 7250.14, 0.00294964/step Wall: 7250.14, 0.00294964/step, 2.04967 hours remaining, 207.742188 MB of memory in use. ENERGY: 2498400 732.6059 2089.4433 1982.4415 120.3960 -206439.5313 17809.7236 0.0000 0.0000 34364.6585 -149340.2625 300.1151 -183704.9210 -149247.7686 298.5874 -5.5586 27.0121 557661.0552 14.5957 14.4874 PRESSURE: 2498600 -61.197 -102.61 109.729 -102.609 47.7369 83.5029 109.728 83.504 -57.3063 GPRESSURE: 2498600 6.4422 -27.0613 78.9678 -153.647 45.7292 30.3187 171.873 90.807 -8.69406 PRESSAVG: 2498600 -1.64781 -11.0399 8.11423 -11.0399 -19.5453 -8.74619 8.11425 -8.74626 -13.7994 GPRESSAVG: 2498600 -0.239094 -12.096 6.64508 -10.5427 -19.9775 -8.17864 9.3278 -12.3714 -13.8356 TIMING: 2498600 CPU: 7250.73, 0.00292929/step Wall: 7250.73, 0.00292929/step, 2.03537 hours remaining, 207.742188 MB of memory in use. ENERGY: 2498600 762.7308 2069.3427 1948.2993 126.9484 -206324.5742 17728.8902 0.0000 0.0000 34160.8515 -149527.5112 298.3352 -183688.3627 -149434.7240 299.0546 -23.5888 14.4924 558000.6352 -11.6641 -11.3507 PRESSURE: 2498800 -117.859 83.2569 -42.1732 83.2582 -192.321 -125.9 -42.1734 -125.9 -234.084 GPRESSURE: 2498800 -100.755 71.0754 -54.0912 29.4621 -141.693 -140.574 -2.47683 -69.4223 -193.69 PRESSAVG: 2498800 -1.37126 1.20929 1.84152 1.20927 23.374 -24.4754 1.84157 -24.4755 -9.64588 GPRESSAVG: 2498800 -2.47183 2.23119 1.23715 1.11551 24.7423 -25.4682 2.95724 -20.6138 -10.3272 TIMING: 2498800 CPU: 7251.31, 0.00291289/step Wall: 7251.31, 0.00291289/step, 2.02381 hours remaining, 207.742188 MB of memory in use. ENERGY: 2498800 736.6198 2024.7383 1954.6633 101.5942 -206106.0713 17536.2564 0.0000 0.0000 34330.3610 -149421.8385 299.8156 -183752.1995 -149330.7389 298.5144 -181.4214 -145.3792 556885.0948 4.1190 3.9811 PRESSURE: 2499000 -132.059 45.5039 -171.734 45.5033 -209.101 -66.4149 -171.733 -66.4143 -150.504 GPRESSURE: 2499000 -118.367 91.4508 -223.302 -5.60883 -176.275 -83.0773 -73.8346 -55.1347 -102.107 PRESSAVG: 2499000 13.0583 -3.87003 -21.5368 -3.8701 22.3144 -53.4515 -21.5368 -53.4516 -24.2784 GPRESSAVG: 2499000 13.5273 -3.8903 -20.2208 -5.66678 21.5954 -52.0324 -23.9106 -56.386 -23.4539 TIMING: 2499000 CPU: 7251.89, 0.00292493/step Wall: 7251.89, 0.00292493/step, 2.03201 hours remaining, 207.742188 MB of memory in use. ENERGY: 2499000 742.6715 2038.0993 1978.5768 116.6205 -206218.5504 17677.9862 0.0000 0.0000 34180.2443 -149484.3518 298.5046 -183664.5961 -149387.7603 298.7102 -163.8879 -132.2498 556289.7626 3.6981 3.8896 PRESSURE: 2499200 152.457 -9.94744 12.2827 -9.94884 -156.762 60.5614 12.2843 60.5617 120.444 GPRESSURE: 2499200 188.639 5.22424 41.801 0.0443791 -70.4417 88.4809 72.8393 32.3289 120.631 PRESSAVG: 2499200 -3.49282 -12.6285 -51.6313 -12.6285 -16.7089 17.0337 -51.6313 17.0337 17.1299 GPRESSAVG: 2499200 -4.37387 -12.7908 -52.8544 -12.0024 -16.27 15.2129 -50.8076 16.3726 17.1144 TIMING: 2499200 CPU: 7252.48, 0.00291234/step Wall: 7252.48, 0.00291234/step, 2.0231 hours remaining, 207.941406 MB of memory in use. ENERGY: 2499200 730.9076 2043.4787 1960.0785 125.9048 -206174.0616 17847.4142 0.0000 0.0000 34064.4512 -149401.8265 297.4933 -183466.2777 -149296.0688 298.8099 38.7131 79.6095 556877.8843 -1.0239 -1.1765 PRESSURE: 2499400 151.191 -79.8804 106.189 -79.88 25.924 -3.19809 106.188 -3.19758 -181.725 GPRESSURE: 2499400 220.295 -125.43 170.73 -125.422 37.6787 45.7222 125.744 8.41667 -162.273 PRESSAVG: 2499400 -30.2763 -12.8108 -38.6364 -12.8108 42.8204 6.69719 -38.6365 6.69717 -6.13627 GPRESSAVG: 2499400 -30.8584 -12.2023 -37.7347 -14.2247 43.4029 10.1343 -39.2597 5.29432 -5.92025 TIMING: 2499400 CPU: 7253.06, 0.00290801/step Wall: 7253.06, 0.00290801/step, 2.01994 hours remaining, 207.941406 MB of memory in use. ENERGY: 2499400 740.1072 2077.6362 1961.3921 124.5081 -206386.6908 17837.5580 0.0000 0.0000 34413.3461 -149232.1431 300.5403 -183645.4892 -149129.9619 298.3464 -1.5367 31.9002 557455.8717 2.1360 2.2081 PRESSURE: 2499600 -293.366 198.95 -84.9371 198.948 -266.039 -76.8823 -84.9376 -76.8827 53.7443 GPRESSURE: 2499600 -250.677 271.236 -64.2539 141.817 -219.484 -93.7489 -101.415 -102.485 60.2871 PRESSAVG: 2499600 6.87176 37.6159 24.5023 37.6158 -27.1317 -35.9659 24.5024 -35.9661 9.21486 GPRESSAVG: 2499600 7.86921 37.0463 23.2656 38.5865 -27.7256 -38.5947 25.699 -33.7114 8.89306 TIMING: 2499600 CPU: 7253.64, 0.0029176/step Wall: 7253.64, 0.0029176/step, 2.02643 hours remaining, 207.941406 MB of memory in use. ENERGY: 2499600 753.7058 2076.9939 1951.1314 107.7695 -206229.5798 17677.6565 0.0000 0.0000 34329.3947 -149332.9279 299.8071 -183662.3227 -149239.5866 298.9704 -168.5536 -136.6245 557414.9462 -3.6817 -3.6544 PRESSURE: 2499800 211.357 -176.013 -55.5635 -176.014 -66.1791 67.8099 -55.5629 67.8101 -13.6257 GPRESSURE: 2499800 246.398 -173.4 -7.78126 -195.252 -43.9072 90.3885 23.4665 38.213 24.0411 PRESSAVG: 2499800 56.8784 -9.73367 3.22102 -9.73365 -9.13699 -66.0849 3.22098 -66.0849 -22.7013 GPRESSAVG: 2499800 55.2639 -9.31948 4.91702 -9.41861 -7.07675 -65.4746 2.37969 -66.2109 -22.7759 TIMING: 2499800 CPU: 7254.23, 0.00293999/step Wall: 7254.23, 0.00293999/step, 2.04183 hours remaining, 207.941406 MB of memory in use. ENERGY: 2499800 748.5018 2115.8961 1956.2958 117.2327 -206525.1509 18104.2972 0.0000 0.0000 34204.8634 -149278.0640 298.7196 -183482.9273 -149179.9641 299.0013 43.8508 75.5105 558300.8256 8.3467 8.4704 PRESSURE: 2500000 64.5309 11.618 231.758 11.6189 -245.969 -139.427 231.757 -139.425 -89.3514 GPRESSURE: 2500000 123.231 30.021 196.821 -2.76229 -255.799 -154.492 185.829 -179.647 -41.2315 PRESSAVG: 2500000 -5.60172 -15.4515 11.6072 -15.4515 -7.51012 16.0144 11.6073 16.0144 46.1278 GPRESSAVG: 2500000 -3.50801 -13.9596 10.0277 -15.5384 -9.63885 18.2264 11.1541 13.7506 46.4141 TIMING: 2500000 CPU: 7254.82, 0.00292673/step Wall: 7254.82, 0.00292673/step, 2.03245 hours remaining, 207.941406 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: 2500000 749.0261 2123.8229 2002.4766 111.8321 -206486.9469 17780.9226 0.0000 0.0000 34343.3979 -149375.4687 299.9294 -183718.8666 -149278.2922 299.0913 -90.2632 -57.9334 556966.8731 11.0053 11.0891 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 -289.676 -143.635 -231.35 -143.635 1.56773 5.74259 -231.35 5.74076 -392.113 GPRESSURE: 2500200 -230.286 -107.341 -167.955 -73.2572 9.57145 32.5934 -236.441 -36.3898 -353.948 PRESSAVG: 2500200 -0.14528 -24.4772 -13.1136 -24.4772 7.99848 4.28824 -13.1136 4.28813 18.0462 GPRESSAVG: 2500200 -1.39527 -27.5174 -11.1216 -22.9722 8.68028 2.8217 -12.8296 7.14937 18.8948 TIMING: 2500200 CPU: 7255.41, 0.00298628/step Wall: 7255.41, 0.00298628/step, 2.07364 hours remaining, 208.011719 MB of memory in use. ENERGY: 2500200 745.6514 2150.4065 1949.1921 118.8874 -206232.6460 17496.2810 0.0000 0.0000 34394.7767 -149377.4509 300.3781 -183772.2275 -149277.6771 299.8662 -226.7406 -191.5543 558451.4721 8.6331 8.7266 LDB: ============= START OF LOAD BALANCING ============== 7258.88 LDB: ============== END OF LOAD BALANCING =============== 7258.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7258.88 LDB: ============= START OF LOAD BALANCING ============== 7259.17 LDB: Largest compute 4821 load 0.033754 is 28.7% of average load 0.117810 LDB: Average compute 0.001723 is 1.5% of average load 0.117810 LDB: TIME 7259.17 LOAD: AVG 0.11781 MAX 0.180072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.906 MB LDB: TIME 7259.17 LOAD: AVG 0.11781 MAX 0.180072 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: TIME 7259.17 LOAD: AVG 0.11781 MAX 0.180072 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.109 MB LDB: ============== END OF LOAD BALANCING =============== 7259.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7259.18 PRESSURE: 2500400 -10.6932 206.874 -31.2677 206.874 -303.583 67.7085 -31.2668 67.7093 -166.85 GPRESSURE: 2500400 -54.6638 131.519 11.1773 215.837 -230.043 47.3748 -54.488 -5.92375 -89.9707 PRESSAVG: 2500400 -37.1279 6.63342 41.5101 6.63336 32.8016 -19.6057 41.5101 -19.6056 40.0654 GPRESSAVG: 2500400 -36.7401 8.61742 39.7534 5.41986 32.824 -19.7661 41.2823 -19.9532 39.8325 TIMING: 2500400 CPU: 7256.01, 0.00296068/step Wall: 7256.01, 0.00296068/step, 2.0557 hours remaining, 207.093750 MB of memory in use. ENERGY: 2500400 734.9380 2070.1345 1949.6949 111.5008 -206071.1576 17580.6862 0.0000 0.0000 34266.9802 -149357.2230 299.2621 -183624.2032 -149263.2721 298.3641 -160.3753 -124.8926 557115.1656 11.9130 11.9721 PRESSURE: 2500600 7.29805 61.3254 -106.712 61.3246 -150.664 150.252 -106.713 150.251 -52.8495 GPRESSURE: 2500600 83.4452 110.41 -134.273 57.0821 -175.743 10.0764 -3.77221 217.825 -2.19094 PRESSAVG: 2500600 13.8992 7.47236 4.72832 7.47229 36.2337 -26.4481 4.72831 -26.4481 -60.8217 GPRESSAVG: 2500600 13.6804 7.16423 3.8431 6.72401 36.8357 -27.4137 7.26096 -24.884 -60.6336 TIMING: 2500600 CPU: 7256.59, 0.00291562/step Wall: 7256.59, 0.00291562/step, 2.02425 hours remaining, 207.296875 MB of memory in use. ENERGY: 2500600 730.4118 2085.4658 1951.6919 116.6677 -206215.4140 17813.1460 0.0000 0.0000 34068.2897 -149449.7411 297.5268 -183518.0308 -149353.1359 298.0085 -65.4052 -31.4961 558241.1490 -3.5629 -3.3725 PRESSURE: 2500800 -65.8654 154.264 110.994 154.265 -286.001 -54.9006 110.994 -54.9005 -102.553 GPRESSURE: 2500800 -43.4698 94.9224 40.4723 171.314 -253.94 -144.18 118.805 -61.6189 -62.3713 PRESSAVG: 2500800 7.38807 19.1664 -13.403 19.1665 -64.3406 23.0262 -13.403 23.0262 20.6931 GPRESSAVG: 2500800 7.55642 18.6041 -13.8704 20.9971 -64.3056 23.4916 -14.7531 20.6079 20.233 TIMING: 2500800 CPU: 7257.17, 0.002906/step Wall: 7257.17, 0.002906/step, 2.01741 hours remaining, 207.296875 MB of memory in use. ENERGY: 2500800 753.7257 2017.5024 1979.6099 119.3775 -206451.3848 17743.2287 0.0000 0.0000 34331.7662 -149506.1744 299.8279 -183837.9406 -149409.3917 298.4856 -151.4732 -119.9271 558574.0531 -12.0865 -12.1721 PRESSURE: 2501000 -88.7336 -153.057 291.496 -153.056 -123.718 34.9541 291.496 34.9539 -172.326 GPRESSURE: 2501000 -58.5667 -147.673 301.448 -89.6759 -62.7274 -18.9137 283.766 74.0573 -162.382 PRESSAVG: 2501000 -25.5349 -15.8482 -5.09368 -15.8481 -11.3394 71.3873 -5.09368 71.3873 35.4942 GPRESSAVG: 2501000 -25.1276 -16.9114 -2.84729 -15.161 -11.3266 69.9134 -6.43148 72.5479 35.2506 TIMING: 2501000 CPU: 7257.75, 0.00291318/step Wall: 7257.75, 0.00291318/step, 2.02224 hours remaining, 207.296875 MB of memory in use. ENERGY: 2501000 726.3067 2078.0553 1962.5924 118.1594 -206446.1235 17734.6282 0.0000 0.0000 34418.6059 -149407.7756 300.5862 -183826.3815 -149305.5224 299.0943 -128.2591 -94.5586 556835.7519 -0.4600 -0.4012 PRESSURE: 2501200 -29.3231 -2.66907 -1.99771 -2.66913 85.8192 84.6374 -1.99665 84.6365 121.909 GPRESSURE: 2501200 23.8966 9.15625 -26.8755 -31.7083 89.5553 58.6602 -52.0993 65.632 161.498 PRESSAVG: 2501200 37.7758 -17.9094 -26.9915 -17.9094 -39.4868 -28.3006 -26.9915 -28.3006 30.2905 GPRESSAVG: 2501200 37.9412 -16.3012 -29.0056 -19.4892 -40.1282 -28.9165 -24.9678 -27.1398 30.7013 TIMING: 2501200 CPU: 7258.33, 0.00290777/step Wall: 7258.33, 0.00290777/step, 2.01832 hours remaining, 207.394531 MB of memory in use. ENERGY: 2501200 742.7366 2097.9925 1954.7821 115.6897 -206330.8320 17943.6130 0.0000 0.0000 34140.2994 -149335.7188 298.1557 -183476.0182 -149248.5202 298.8319 59.4685 91.6501 557201.9336 9.5265 9.5048 PRESSURE: 2501400 158.509 20.6603 113.657 20.6625 0.390771 80.8385 113.658 80.8384 134.787 GPRESSURE: 2501400 191.621 66.9141 86.8511 12.7727 25.2909 46.3976 165.548 137.786 172.631 PRESSAVG: 2501400 33.9154 31.6125 34.9345 31.6125 -21.3667 -41.6853 34.9345 -41.6852 -14.3347 GPRESSAVG: 2501400 34.1547 32.226 35.303 31.4178 -21.5111 -41.696 34.7056 -41.6094 -13.9701 TIMING: 2501400 CPU: 7258.91, 0.00289241/step Wall: 7258.91, 0.00289241/step, 2.00749 hours remaining, 207.394531 MB of memory in use. ENERGY: 2501400 745.6356 2091.3708 1990.0581 118.7237 -206311.9192 17852.0468 0.0000 0.0000 34232.5687 -149281.5155 298.9615 -183514.0842 -149188.3823 298.9288 97.8955 129.8476 556608.9239 -0.5954 -0.4421 PRESSURE: 2501600 -282.232 106.109 17.037 106.109 -166.608 -100.754 17.0372 -100.756 -88.1001 GPRESSURE: 2501600 -227.28 82.7693 -67.7926 48.9784 -162.594 -98.6321 6.45228 -106.373 -50.3987 PRESSAVG: 2501600 25.5679 32.7909 -1.84736 32.7909 -14.612 -14.9629 -1.84742 -14.9629 -16.3407 GPRESSAVG: 2501600 25.6473 31.1943 0.443257 34.5674 -13.7087 -14.8074 -3.20044 -15.4725 -17.5015 TIMING: 2501600 CPU: 7259.49, 0.00290297/step Wall: 7259.49, 0.00290297/step, 2.01466 hours remaining, 207.394531 MB of memory in use. ENERGY: 2501600 761.6480 2081.2600 1997.7041 108.6824 -206280.3973 17687.2907 0.0000 0.0000 34350.4617 -149293.3505 299.9911 -183643.8122 -149195.3868 298.5411 -178.9799 -146.7578 557843.0359 -1.7949 -1.8543 PRESSURE: 2501800 -305.24 -81.5899 49.5902 -81.592 -151.113 -174.521 49.59 -174.522 -176.248 GPRESSURE: 2501800 -258.245 -79.8196 154.711 -109.652 -131.247 -197.395 11.0775 -118.877 -149.459 PRESSAVG: 2501800 -32.9712 -5.48622 39.5389 -5.48616 4.77661 -51.6774 39.5389 -51.6775 42.2844 GPRESSAVG: 2501800 -33.6772 -4.7495 38.0731 -7.68531 4.28743 -51.8077 40.3396 -51.1256 42.9593 TIMING: 2501800 CPU: 7260.08, 0.00293278/step Wall: 7260.08, 0.00293278/step, 2.03519 hours remaining, 207.394531 MB of memory in use. ENERGY: 2501800 725.7826 2110.4387 1957.6546 123.2455 -205555.9281 17275.5188 0.0000 0.0000 34062.3225 -149300.9654 297.4747 -183363.2879 -149205.4070 298.3654 -210.8671 -179.6503 557181.9085 4.6966 4.5232 PRESSURE: 2502000 55.6983 -114.138 -192.534 -114.138 -67.0496 43.9295 -192.534 43.9299 71.9704 GPRESSURE: 2502000 81.526 -24.6591 -123.13 -99.653 -33.3898 13.0688 -220.235 -14.4216 109.962 PRESSAVG: 2502000 38.7838 -57.6511 6.58004 -57.6511 -74.9444 3.32662 6.58016 3.32654 47.3534 GPRESSAVG: 2502000 39.554 -58.0337 7.76888 -54.7258 -75.5446 5.10104 4.92428 2.09122 47.2591 TIMING: 2502000 CPU: 7260.66, 0.00289014/step Wall: 7260.66, 0.00289013/step, 2.00543 hours remaining, 207.394531 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: 2502000 734.7303 2058.5065 1981.0892 105.0486 -205994.5880 17777.2291 0.0000 0.0000 34125.3238 -149212.6605 298.0249 -183337.9842 -149118.7509 298.6075 20.2063 52.6996 555803.1801 3.7309 3.7562 PRESSURE: 2502200 102.509 21.4511 1.22679 21.4517 161.983 231.754 1.22585 231.752 150.091 GPRESSURE: 2502200 129.62 -3.10701 28.0387 105.404 206.042 219.953 84.0483 222.554 181.911 PRESSAVG: 2502200 -24.6444 7.43098 -17.5566 7.43107 -50.8759 4.63821 -17.5565 4.6381 73.1962 GPRESSAVG: 2502200 -24.5935 8.73059 -17.2639 4.735 -50.9945 4.59564 -17.9399 4.39426 73.6016 TIMING: 2502200 CPU: 7261.24, 0.00290865/step Wall: 7261.24, 0.00290866/step, 2.01812 hours remaining, 207.394531 MB of memory in use. ENERGY: 2502200 712.4951 2107.0715 1984.1248 104.1761 -206441.6222 18008.7990 0.0000 0.0000 34259.6909 -149265.2648 299.1984 -183524.9557 -149170.0861 298.8546 138.1946 172.5243 555645.4991 -0.7747 -0.6621 PRESSURE: 2502400 142.682 -20.7215 -34.7405 -20.7235 -57.1002 -14.14 -34.7412 -14.1405 275.985 GPRESSURE: 2502400 180.85 -14.2308 -43.0951 -20.7992 16.7489 15.5196 -52.242 57.4027 267.797 PRESSAVG: 2502400 -57.7731 -43.2632 -18.3786 -43.2632 -6.66901 -8.00882 -18.3786 -8.00894 68.9753 GPRESSAVG: 2502400 -60.3083 -44.9534 -20.5465 -43.9341 -4.93659 -7.77272 -15.5079 -5.20451 69.7978 TIMING: 2502400 CPU: 7261.82, 0.00289049/step Wall: 7261.82, 0.00289049/step, 2.00536 hours remaining, 207.394531 MB of memory in use. ENERGY: 2502400 707.8238 2145.1974 1968.1151 135.2394 -206475.9611 17962.6592 0.0000 0.0000 34317.4268 -149239.4995 299.7026 -183556.9263 -149147.0241 299.4418 120.5222 155.1320 557086.6552 1.5110 1.5176 PRESSURE: 2502600 233.385 -18.2009 197.035 -18.2 52.7913 -45.3025 197.034 -45.3025 15.3205 GPRESSURE: 2502600 288.362 15.0597 125.71 -20.9748 111.163 12.6973 158.561 -57.5911 1.97185 PRESSAVG: 2502600 -42.1961 -6.33266 18.8546 -6.33269 26.9307 -14.9211 18.8546 -14.921 27.0477 GPRESSAVG: 2502600 -39.6718 -5.87319 17.7572 -4.86118 26.4424 -17.6917 18.3859 -14.3368 24.9063 TIMING: 2502600 CPU: 7262.4, 0.00289327/step Wall: 7262.4, 0.00289327/step, 2.00712 hours remaining, 207.394531 MB of memory in use. ENERGY: 2502600 768.5859 2033.0343 1985.4093 125.8026 -206064.7257 17879.7840 0.0000 0.0000 34033.8201 -149238.2895 297.2258 -183272.1096 -149144.7962 298.8397 100.4989 133.8322 555511.7949 3.9274 3.8923 PRESSURE: 2502800 54.4818 32.2288 -65.4736 32.2299 117.654 21.1459 -65.4736 21.1453 47.1432 GPRESSURE: 2502800 100.033 9.17056 -110.853 61.7906 115.499 -10.3961 -65.2615 33.9758 84.3455 PRESSAVG: 2502800 53.6085 14.289 30.4922 14.289 -42.7839 47.5297 30.4923 47.5297 8.66307 GPRESSAVG: 2502800 53.7145 14.1974 32.3719 15.1975 -44.1305 48.0929 29.2322 45.5232 9.99915 TIMING: 2502800 CPU: 7262.97, 0.0028885/step Wall: 7262.97, 0.0028885/step, 2.00366 hours remaining, 207.394531 MB of memory in use. ENERGY: 2502800 761.1245 2103.3154 1932.1629 111.8192 -206223.0029 17990.2625 0.0000 0.0000 34120.5293 -149203.7890 297.9831 -183324.3184 -149111.3069 298.8495 73.0931 99.9594 558849.0865 6.4959 6.5277 PRESSURE: 2503000 -105.599 68.6201 -152.649 68.6206 -107.648 -45.7188 -152.649 -45.7184 -126.727 GPRESSURE: 2503000 -56.536 84.5363 -181.103 36.3724 -86.484 21.7961 -140.658 -21.9623 -84.2984 PRESSAVG: 2503000 21.0005 -23.581 -27.5366 -23.581 -16.8542 -14.7361 -27.5366 -14.736 30.2149 GPRESSAVG: 2503000 21.6969 -24.1039 -27.2657 -22.7618 -17.7543 -13.6026 -26.6524 -15.838 30.5702 TIMING: 2503000 CPU: 7263.55, 0.00289077/step Wall: 7263.55, 0.00289077/step, 2.00507 hours remaining, 207.394531 MB of memory in use. ENERGY: 2503000 735.1428 2061.2691 1977.0751 104.6669 -206125.1875 17667.0142 0.0000 0.0000 34386.5037 -149193.5157 300.3059 -183580.0194 -149094.1527 298.7599 -113.3251 -75.7728 559423.0071 11.4537 11.5043 PRESSURE: 2503200 167.415 86.946 203.406 86.9459 -60.279 59.7238 203.407 59.7228 -123.06 GPRESSURE: 2503200 233.864 -15.7872 173.584 57.3262 -42.8982 38.2643 194.84 66.2266 -113.871 PRESSAVG: 2503200 36.3368 13.8862 -101.231 13.8863 -54.0743 53.7089 -101.231 53.7091 -6.98738 GPRESSAVG: 2503200 35.5198 14.5184 -103.03 13.8766 -53.1673 54.8038 -100.261 54.3108 -7.16827 TIMING: 2503200 CPU: 7264.13, 0.00290733/step Wall: 7264.13, 0.00290733/step, 2.0164 hours remaining, 207.597656 MB of memory in use. ENERGY: 2503200 719.0102 2125.7990 1956.6063 115.2832 -205788.3393 17636.1466 0.0000 0.0000 34021.9440 -149213.5499 297.1221 -183235.4939 -149115.8807 298.3986 -5.3080 25.6983 557908.6939 -8.2416 -8.2719 PRESSURE: 2503400 202.867 -26.7974 39.9387 -26.7973 162.305 -127.48 39.9368 -127.479 294.377 GPRESSURE: 2503400 207.93 -56.2219 8.26345 85.3896 188.013 -63.4045 25.7421 -220.157 365.578 PRESSAVG: 2503400 6.55528 37.9667 -19.6197 37.9666 30.9727 2.94595 -19.6197 2.94596 23.8501 GPRESSAVG: 2503400 6.48387 38.0836 -18.0571 36.0387 30.2968 2.55461 -20.7704 1.52954 24.0871 TIMING: 2503400 CPU: 7264.72, 0.00291453/step Wall: 7264.72, 0.00291453/step, 2.02123 hours remaining, 207.597656 MB of memory in use. ENERGY: 2503400 745.6951 2044.0359 1989.3958 126.4605 -206563.8561 18198.3854 0.0000 0.0000 34222.3837 -149237.4997 298.8726 -183459.8833 -149140.2398 298.8618 219.8496 253.8405 557767.7181 20.4594 20.2893 PRESSURE: 2503600 343.091 -36.3516 31.9499 -36.3523 38.3605 187.251 31.9502 187.25 59.3754 GPRESSURE: 2503600 380.419 1.92634 -14.335 -64.1937 63.4708 163.387 49.6184 182.381 103.762 PRESSAVG: 2503600 -25.2598 -46.7377 5.31792 -46.7377 -20.9606 2.39983 5.31798 2.39982 76.361 GPRESSAVG: 2503600 -26.0062 -47.6134 5.57117 -44.6169 -20.2667 0.252866 4.80441 3.0405 76.3902 TIMING: 2503600 CPU: 7265.3, 0.0029107/step Wall: 7265.3, 0.0029107/step, 2.01841 hours remaining, 207.597656 MB of memory in use. ENERGY: 2503600 721.5487 2100.4523 1972.3890 114.1602 -206113.4823 17982.2748 0.0000 0.0000 34151.0450 -149071.6124 298.2496 -183222.6574 -148976.2841 299.3581 146.9423 182.5505 558346.4989 10.0469 10.0391 PRESSURE: 2503800 -170.985 -86.8513 94.0888 -86.8505 138.787 -66.0105 94.0884 -66.0102 116.03 GPRESSURE: 2503800 -123.305 -120.49 62.362 -142.024 160.993 -45.3766 104.225 -59.5813 138.646 PRESSAVG: 2503800 -35.8984 -26.0904 19.6601 -26.0903 21.066 14.9542 19.6601 14.9542 -5.95082 GPRESSAVG: 2503800 -35.166 -24.7998 20.8693 -28.8583 20.2707 15.561 18.0197 16.0577 -6.49029 TIMING: 2503800 CPU: 7265.88, 0.00289358/step Wall: 7265.88, 0.00289358/step, 2.00637 hours remaining, 207.597656 MB of memory in use. ENERGY: 2503800 723.4165 2066.6848 1921.6385 112.4999 -206099.8715 17846.1593 0.0000 0.0000 34373.3744 -149056.0981 300.1912 -183429.4726 -148954.8023 299.6709 27.9440 58.7780 558893.7421 -6.9278 -7.1285 PRESSURE: 2504000 -107.28 -148.292 40.3613 -148.291 -181.958 49.1247 40.3621 49.1243 37.6651 GPRESSURE: 2504000 -36.0882 -84.1585 21.6678 -247.072 -108.063 49.7713 97.8461 51.5444 -13.9982 PRESSAVG: 2504000 28.006 -27.2551 2.46235 -27.2551 33.4841 -35.5932 2.46239 -35.5931 -4.30916 GPRESSAVG: 2504000 28.4934 -28.2953 0.728147 -25.9134 35.7749 -32.4479 4.74258 -37.0021 -7.18566 TIMING: 2504000 CPU: 7266.46, 0.00291426/step Wall: 7266.46, 0.00291426/step, 2.02055 hours remaining, 207.597656 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: 2504000 753.6272 2049.0598 1916.6195 110.3613 -205968.0184 17664.7892 0.0000 0.0000 34472.6977 -149000.8639 301.0586 -183473.5615 -148893.9706 299.8217 -83.8579 -52.7164 558042.7884 19.0603 19.0275 PRESSURE: 2504200 -121.489 101.171 90.3704 101.17 -103.628 -81.499 90.3697 -81.4976 -205.376 GPRESSURE: 2504200 -89.8711 78.2161 139.275 27.9767 -45.4495 -72.47 112.053 -70.0216 -195.482 PRESSAVG: 2504200 0.623991 8.96843 10.8576 8.9684 -12.7806 0.991139 10.8578 0.991325 0.192633 GPRESSAVG: 2504200 0.295346 7.51421 9.30137 10.4609 -14.8613 -1.7393 9.53231 3.12479 2.30043 TIMING: 2504200 CPU: 7267.04, 0.00289605/step Wall: 7267.04, 0.00289605/step, 2.00777 hours remaining, 207.597656 MB of memory in use. ENERGY: 2504200 792.0631 1989.9529 1948.9624 107.2074 -205603.5253 17546.4773 0.0000 0.0000 34242.0255 -148976.8367 299.0441 -183218.8621 -148890.2911 300.0495 -143.4977 -110.2674 557513.4752 -3.9880 -4.0885 LDB: ============= START OF LOAD BALANCING ============== 7270.5 LDB: ============== END OF LOAD BALANCING =============== 7270.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7270.51 LDB: ============= START OF LOAD BALANCING ============== 7270.8 LDB: Largest compute 4821 load 0.030984 is 26.3% of average load 0.117803 LDB: Average compute 0.001724 is 1.5% of average load 0.117803 LDB: TIME 7270.8 LOAD: AVG 0.117803 MAX 0.178891 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 7270.8 LOAD: AVG 0.117803 MAX 0.178891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: TIME 7270.8 LOAD: AVG 0.117803 MAX 0.178891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.973 MB LDB: ============== END OF LOAD BALANCING =============== 7270.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7270.81 PRESSURE: 2504400 38.237 318.393 -75.7561 318.393 -330.634 33.1141 -75.7553 33.1151 182.711 GPRESSURE: 2504400 35.0772 302.837 -41.6899 274.218 -300.456 51.084 -93.4409 4.15168 252.046 PRESSAVG: 2504400 -29.0458 50.5277 45.5188 50.5278 0.170587 -11.4057 45.5188 -11.4058 20.9138 GPRESSAVG: 2504400 -29.01 52.9815 46.3461 49.8815 0.32426 -7.65414 46.9392 -13.1009 20.594 TIMING: 2504400 CPU: 7267.63, 0.00295567/step Wall: 7267.63, 0.00295567/step, 2.04894 hours remaining, 206.132812 MB of memory in use. ENERGY: 2504400 729.9065 2082.8517 1952.7868 116.4832 -205811.5894 17736.1078 0.0000 0.0000 34211.3468 -148982.1066 298.7762 -183193.4534 -148890.1203 300.0502 -36.5619 -4.4443 558348.2838 -2.6538 -2.6973 PRESSURE: 2504600 -123.724 -64.4585 -214.858 -64.459 -75.7226 20.7242 -214.857 20.7219 -160.731 GPRESSURE: 2504600 -119.192 -38.6734 -204.96 -45.7637 -90.3043 12.8902 -153.187 0.0498324 -60.4503 PRESSAVG: 2504600 -6.39386 -35.7594 -32.406 -35.7593 -10.4615 -31.17 -32.406 -31.1701 -7.00461 GPRESSAVG: 2504600 -7.15873 -37.1848 -31.9129 -36.3295 -10.559 -32.2697 -32.3702 -31.3852 -6.17508 TIMING: 2504600 CPU: 7268.22, 0.0029436/step Wall: 7268.22, 0.0029436/step, 2.0404 hours remaining, 206.335938 MB of memory in use. ENERGY: 2504600 764.4481 2050.4101 1927.8547 117.5366 -206015.0661 17710.0710 0.0000 0.0000 34404.5932 -149040.1524 300.4639 -183444.7455 -148940.7019 299.4943 -120.0591 -89.9821 558078.2902 -7.9533 -7.9643 PRESSURE: 2504800 -172.043 -219.492 33.3205 -219.492 -108.168 107.241 33.3213 107.242 -253.647 GPRESSURE: 2504800 -126.854 -241.18 55.0055 -178.497 -48.1277 99.7872 41.333 99.7953 -265.902 PRESSAVG: 2504800 1.6254 -6.24877 23.8137 -6.24877 34.9015 15.9072 23.8136 15.9073 -31.897 GPRESSAVG: 2504800 1.54646 -4.10741 23.01 -6.59437 35.0106 13.7272 22.889 18.7932 -31.8001 TIMING: 2504800 CPU: 7268.8, 0.00292025/step Wall: 7268.8, 0.00292025/step, 2.02406 hours remaining, 206.335938 MB of memory in use. ENERGY: 2504800 748.3678 2112.2720 1945.0343 105.3574 -205698.2273 17593.7983 0.0000 0.0000 34162.2665 -149031.1309 298.3476 -183193.3975 -148931.9471 300.0735 -177.9528 -146.9614 558096.9936 1.5433 1.5857 PRESSURE: 2505000 103.434 -35.9825 -80.1126 -35.9807 9.82681 89.4468 -80.1121 89.4471 -232.332 GPRESSURE: 2505000 85.3815 -82.602 -107.472 96.8264 6.18676 58.1893 -27.2123 97.3611 -112.117 PRESSAVG: 2505000 20.4003 0.186288 -13.0848 0.186284 15.8515 68.2252 -13.0848 68.2252 -34.5384 GPRESSAVG: 2505000 22.2533 -0.856382 -12.8516 1.48088 14.3988 70.6098 -14.1677 64.8044 -34.4971 TIMING: 2505000 CPU: 7269.38, 0.00289291/step Wall: 7269.38, 0.00289291/step, 2.00495 hours remaining, 206.335938 MB of memory in use. ENERGY: 2505000 763.6507 2086.8500 1956.1662 119.8245 -205594.0833 17560.5503 0.0000 0.0000 34241.4066 -148865.6352 299.0387 -183107.0417 -148770.5947 299.6162 -39.6903 -6.8495 557973.4157 0.5711 0.7183 PRESSURE: 2505200 -87.6407 -194.782 138.022 -194.782 -9.63583 161.008 138.023 161.008 -30.7086 GPRESSURE: 2505200 -102.281 -250.525 92.6659 -174.844 75.3244 33.3686 163.935 198.8 -0.981776 PRESSAVG: 2505200 -69.466 26.0752 -2.71969 26.0752 68.1735 27.299 -2.71961 27.299 -6.42749 GPRESSAVG: 2505200 -70.0077 25.3521 -3.7716 25.0132 68.9934 26.7905 0.3357 28.529 -6.73956 TIMING: 2505200 CPU: 7269.96, 0.00290454/step Wall: 7269.96, 0.00290454/step, 2.01284 hours remaining, 206.335938 MB of memory in use. ENERGY: 2505200 725.0206 2116.5223 1980.0008 119.9074 -206268.0454 17860.4751 0.0000 0.0000 34365.6464 -149100.4728 300.1237 -183466.1193 -149000.9609 299.3411 -42.6617 -9.3129 556775.6050 -2.5733 -2.5846 PRESSURE: 2505400 -171.589 98.9969 126.534 98.9972 -274.828 43.7207 126.533 43.7197 -313.711 GPRESSURE: 2505400 -147.838 37.4258 118.313 161.219 -244.153 -32.0944 175.921 199.664 -274.444 PRESSAVG: 2505400 -21.5421 -31.727 6.33899 -31.727 -0.949572 -22.2813 6.33902 -22.2813 33.892 GPRESSAVG: 2505400 -21.4796 -32.783 8.1382 -32.4908 -0.585024 -22.1695 4.8622 -22.2161 33.5339 TIMING: 2505400 CPU: 7270.54, 0.00290637/step Wall: 7270.54, 0.00290637/step, 2.01395 hours remaining, 206.335938 MB of memory in use. ENERGY: 2505400 758.7127 2111.5435 1961.7058 113.5237 -205541.3448 17453.1591 0.0000 0.0000 34021.5143 -149121.1857 297.1183 -183142.7000 -149023.8446 300.5084 -253.3762 -222.1449 558155.7163 3.8001 3.8231 PRESSURE: 2505600 -243.701 -23.9713 -40.093 -23.9721 -318.542 46.4699 -40.0947 46.47 81.2486 GPRESSURE: 2505600 -225.009 5.22314 -68.0181 -96.0114 -281.612 45.3315 25.7572 -26.8469 130.509 PRESSAVG: 2505600 -76.2156 -6.02225 -28.206 -6.02224 -2.171 -24.9093 -28.206 -24.9095 67.0003 GPRESSAVG: 2505600 -76.6323 -5.60567 -26.6912 -6.53157 -2.8458 -25.0109 -29.8488 -26.0375 67.7148 TIMING: 2505600 CPU: 7271.12, 0.00289786/step Wall: 7271.12, 0.00289786/step, 2.0079 hours remaining, 206.335938 MB of memory in use. ENERGY: 2505600 749.7473 2100.6289 1959.5194 101.0589 -206014.1489 17669.7919 0.0000 0.0000 34248.6509 -149184.7517 299.1020 -183433.4026 -149088.6609 299.0794 -160.3315 -125.3708 557755.0053 -3.7955 -3.9211 PRESSURE: 2505800 -352.112 76.823 -68.1179 76.8229 67.4949 82.8411 -68.1163 82.842 -124.973 GPRESSURE: 2505800 -322.2 113.27 -16.2765 50.861 102.142 131.756 -132.491 76.2261 -98.1352 PRESSAVG: 2505800 -7.11992 -8.61013 -32.2969 -8.61007 -37.6113 4.93576 -32.2969 4.93585 60.1633 GPRESSAVG: 2505800 -6.81921 -8.11814 -34.4081 -6.07026 -36.6916 4.82869 -29.7426 6.15822 59.3259 TIMING: 2505800 CPU: 7271.7, 0.00290556/step Wall: 7271.7, 0.00290556/step, 2.01307 hours remaining, 206.335938 MB of memory in use. ENERGY: 2505800 706.4802 2073.3607 1940.0237 133.7036 -205712.8084 17510.0205 0.0000 0.0000 34020.7266 -149328.4933 297.1115 -183349.2198 -149230.1270 298.6354 -136.5299 -106.0645 557616.4113 5.1440 5.2717 PRESSURE: 2506000 -93.9021 13.6226 72.3076 13.6215 -39.7566 13.5765 72.3073 13.5765 84.2728 GPRESSURE: 2506000 -80.0446 -29.861 29.0608 2.22108 19.4057 51.6967 28.0335 49.529 110.256 PRESSAVG: 2506000 -44.76 23.428 43.8853 23.4281 17.6022 -18.1632 43.8854 -18.1632 -13.1332 GPRESSAVG: 2506000 -44.5378 24.7797 44.891 21.9548 17.9374 -19.1108 41.9697 -17.1578 -13.3816 TIMING: 2506000 CPU: 7272.29, 0.00290899/step Wall: 7272.29, 0.00290899/step, 2.01528 hours remaining, 206.335938 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: 2506000 702.5961 2046.6267 1944.4551 115.0450 -206262.5807 17855.2589 0.0000 0.0000 34185.3673 -149413.2317 298.5493 -183598.5990 -149319.1204 298.5136 -16.4619 16.5389 556654.1403 -13.4303 -13.3273 PRESSURE: 2506200 -27.2266 -62.7101 78.2373 -62.71 1.95016 -162.483 78.2362 -162.482 -129.397 GPRESSURE: 2506200 2.09974 17.4041 99.0449 -50.4512 -39.4856 -169.282 99.5363 -79.6336 -31.4945 PRESSAVG: 2506200 19.2949 16.5976 39.0805 16.5976 -26.977 6.79166 39.0806 6.7916 20.8106 GPRESSAVG: 2506200 17.9426 14.3512 39.63 18.7505 -27.3306 7.40266 38.1006 7.24358 22.0765 TIMING: 2506200 CPU: 7272.87, 0.00290413/step Wall: 7272.87, 0.00290413/step, 2.01175 hours remaining, 206.335938 MB of memory in use. ENERGY: 2506200 715.1888 2050.8973 1960.8557 118.4851 -205924.2171 17609.5976 0.0000 0.0000 34231.7635 -149237.4292 298.9545 -183469.1926 -149146.4584 298.5529 -51.5577 -22.9601 557584.3975 4.3762 4.2295 PRESSURE: 2506400 -4.23589 244.855 -91.923 244.855 -112.148 -149.11 -91.9244 -149.11 217.074 GPRESSURE: 2506400 43.1254 281.459 -25.8062 160.493 -82.237 -137.316 -105.718 -226.764 230.065 PRESSAVG: 2506400 56.8748 27.9938 -31.4359 27.9938 -102.894 -10.0594 -31.436 -10.0593 31.6695 GPRESSAVG: 2506400 57.0391 29.5964 -31.5258 24.8636 -103.22 -9.88799 -32.2738 -11.2814 32.2064 TIMING: 2506400 CPU: 7273.45, 0.00290388/step Wall: 7273.45, 0.00290388/step, 2.01142 hours remaining, 206.335938 MB of memory in use. ENERGY: 2506400 733.4359 2061.9082 1979.0146 124.5706 -206384.0700 17794.6361 0.0000 0.0000 34354.2466 -149336.2581 300.0242 -183690.5046 -149240.6639 298.7203 33.5631 63.6510 557492.9101 -4.7832 -4.6581 PRESSURE: 2506600 -547.52 -75.2266 50.8643 -75.2254 -83.7307 -56.6949 50.8642 -56.6955 -122.865 GPRESSURE: 2506600 -459.578 -95.5463 41.4329 -67.5076 -49.0822 -32.0008 75.9755 -95.3216 -160.19 PRESSAVG: 2506600 -47.5834 -16.9443 26.1066 -16.9443 -23.4853 -17.6395 26.1065 -17.6394 78.82 GPRESSAVG: 2506600 -47.0621 -15.6124 26.4131 -17.6859 -23.1629 -19.4881 29.9752 -17.8646 77.52 TIMING: 2506600 CPU: 7274.03, 0.00290888/step Wall: 7274.03, 0.00290888/step, 2.01472 hours remaining, 206.335938 MB of memory in use. ENERGY: 2506600 746.5470 2107.8532 1957.3752 130.2563 -205791.3519 17401.1308 0.0000 0.0000 34420.0690 -149028.1202 300.5990 -183448.1893 -148933.7046 298.8556 -251.3717 -222.9499 558094.7808 2.5838 2.4317 PRESSURE: 2506800 -104.222 72.0561 -29.5419 72.056 -163.257 -144.067 -29.5414 -144.067 -88.6373 GPRESSURE: 2506800 -73.3422 -80.0717 -54.3638 208.765 -125.367 -103.967 -2.48134 -146.614 -60.7677 PRESSAVG: 2506800 -48.7705 0.220035 -35.9827 0.220036 -2.36434 2.07928 -35.9827 2.07938 74.3136 GPRESSAVG: 2506800 -49.855 -0.357573 -36.8449 1.92406 -1.46471 4.50671 -38.7633 1.64782 74.3222 TIMING: 2506800 CPU: 7274.61, 0.00290057/step Wall: 7274.61, 0.00290057/step, 2.00881 hours remaining, 206.335938 MB of memory in use. ENERGY: 2506800 747.5905 2073.1459 1940.5696 111.8486 -205858.9027 17599.2807 0.0000 0.0000 34432.1604 -148954.3069 300.7046 -183386.4673 -148857.7747 299.6250 -118.7055 -86.4923 557743.5812 7.7263 7.6675 PRESSURE: 2507000 281.786 -48.1195 -219.323 -48.1202 80.0099 46.3419 -219.323 46.3423 288.507 GPRESSURE: 2507000 254.852 -140.944 -161.233 -60.3628 157.686 37.6749 -150.93 15.0794 335.58 PRESSAVG: 2507000 17.1613 -31.5664 34.1806 -31.5664 -30.6076 -16.6839 34.1806 -16.6841 57.8333 GPRESSAVG: 2507000 16.7793 -32.0419 34.9108 -30.4699 -30.7715 -19.0234 35.9798 -16.0702 58.1141 TIMING: 2507000 CPU: 7275.19, 0.00289683/step Wall: 7275.19, 0.00289683/step, 2.00606 hours remaining, 206.335938 MB of memory in use. ENERGY: 2507000 749.9270 2101.6417 1973.1355 118.5445 -206625.7599 18137.3951 0.0000 0.0000 34349.6616 -149195.4546 299.9841 -183545.1162 -149098.5145 300.0345 216.7674 249.3726 555594.9275 14.7957 14.7073 PRESSURE: 2507200 -83.225 -104.047 124.832 -104.048 47.0887 159.342 124.833 159.341 329.923 GPRESSURE: 2507200 -10.4553 -131.956 211.277 -103.472 68.9932 189.475 102.777 140.284 341.68 PRESSAVG: 2507200 5.2923 12.2852 -25.5102 12.2852 -39.2656 24.2751 -25.5103 24.2752 57.9506 GPRESSAVG: 2507200 5.81244 11.2813 -26.131 10.5416 -40.0348 25.0112 -25.9273 23.1598 57.8868 TIMING: 2507200 CPU: 7275.77, 0.00291591/step Wall: 7275.77, 0.00291591/step, 2.01911 hours remaining, 206.335938 MB of memory in use. ENERGY: 2507200 721.9449 2106.7275 1954.4956 121.2173 -206384.6938 17903.2018 0.0000 0.0000 34296.1616 -149280.9450 299.5169 -183577.1066 -149177.8505 298.8913 97.9289 133.4061 556725.7512 7.9924 7.8881 PRESSURE: 2507400 58.7809 -38.1159 -245.504 -38.1159 299.309 73.6927 -245.504 73.6934 46.3924 GPRESSURE: 2507400 75.0336 -4.66102 -233.45 -47.5 347.147 105.933 -195.197 18.9076 78.0674 PRESSAVG: 2507400 40.9534 6.95408 -56.2098 6.95403 20.6122 -17.8207 -56.2097 -17.8209 -20.1955 GPRESSAVG: 2507400 40.1413 6.9188 -54.3596 8.48831 22.3952 -17.3174 -58.3393 -16.7452 -20.8471 TIMING: 2507400 CPU: 7276.35, 0.00289574/step Wall: 7276.35, 0.00289574/step, 2.00498 hours remaining, 206.335938 MB of memory in use. ENERGY: 2507400 710.6623 2102.7249 1975.1136 114.4148 -206238.2869 17906.4739 0.0000 0.0000 34205.6941 -149223.2031 298.7268 -183428.8972 -149120.8313 299.1525 134.8274 166.7495 556282.7674 13.7900 13.8965 PRESSURE: 2507600 -28.2041 121.825 81.1956 121.826 97.1159 -134.628 81.1955 -134.628 -171.214 GPRESSURE: 2507600 16.8178 78.8301 83.6837 115.575 118.513 -149.32 75.7974 -163.292 -136.501 PRESSAVG: 2507600 -73.3157 4.45152 -11.8532 4.45141 56.8332 33.9227 -11.8533 33.9226 13.1472 GPRESSAVG: 2507600 -71.6029 4.31305 -15.1032 3.93088 54.4326 33.022 -10.5329 33.8775 13.2889 TIMING: 2507600 CPU: 7276.93, 0.00290076/step Wall: 7276.93, 0.00290076/step, 2.0083 hours remaining, 206.539062 MB of memory in use. ENERGY: 2507600 765.2963 2113.7715 1971.4655 109.3066 -206245.0414 17685.2875 0.0000 0.0000 34373.8524 -149226.0615 300.1954 -183599.9139 -149135.9837 298.4832 -34.1008 -0.3901 557046.8499 -1.1117 -1.2938 PRESSURE: 2507800 124.143 29.4178 -28.0938 29.4182 -56.0781 -89.6432 -28.0955 -89.6455 -254.454 GPRESSURE: 2507800 82.2555 36.1198 10.894 -44.6863 -18.4353 -27.7588 -41.8307 -111.356 -153.537 PRESSAVG: 2507800 -58.1702 36.1827 35.1509 36.1826 85.372 -31.6006 35.1508 -31.6006 -8.30263 GPRESSAVG: 2507800 -58.8459 38.0196 37.38 35.2409 86.7167 -32.5141 34.2772 -31.3865 -8.55053 TIMING: 2507800 CPU: 7277.51, 0.00291403/step Wall: 7277.51, 0.00291403/step, 2.01732 hours remaining, 206.539062 MB of memory in use. ENERGY: 2507800 734.9093 2061.2824 1984.1971 110.1318 -205703.8602 17542.2120 0.0000 0.0000 34198.7766 -149072.3511 298.6664 -183271.1277 -148980.9024 300.2657 -62.1297 -29.9056 556915.2467 6.2997 6.4401 PRESSURE: 2508000 74.4094 70.6827 76.9238 70.6844 -295.781 206.323 76.9242 206.321 101.855 GPRESSURE: 2508000 62.5322 30.6824 65.2029 142.103 -209.423 182.693 94.8134 223.987 129.859 PRESSAVG: 2508000 30.5354 11.4813 55.8513 11.4814 -36.7839 -4.15699 55.8513 -4.15711 14.324 GPRESSAVG: 2508000 30.8212 10.9729 52.7695 9.75804 -36.0324 -2.52656 57.7459 -4.21489 12.9001 TIMING: 2508000 CPU: 7278.1, 0.00290501/step Wall: 7278.1, 0.00290501/step, 2.01091 hours remaining, 206.742188 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: 2508000 778.1033 2088.1036 1953.3623 109.9826 -206523.0078 17937.4121 0.0000 0.0000 34445.2341 -149210.8098 300.8188 -183656.0439 -149115.8851 299.1586 -39.8387 -5.6774 555712.8468 2.6919 2.5630 PRESSURE: 2508200 -161.908 52.8513 -37.5684 52.8526 -20.4291 -64.102 -37.5699 -64.1025 -16.9307 GPRESSURE: 2508200 -86.6385 6.26755 -77.8739 49.658 -27.0724 -23.901 33.4889 -149.476 6.05739 PRESSAVG: 2508200 17.4723 -56.137 -44.4839 -56.1369 -60.4282 -89.7219 -44.4838 -89.7221 34.6315 GPRESSAVG: 2508200 17.6055 -56.9275 -42.5056 -54.774 -62.4934 -88.792 -45.127 -92.2558 36.6488 TIMING: 2508200 CPU: 7278.68, 0.00290528/step Wall: 7278.68, 0.00290528/step, 2.01093 hours remaining, 206.742188 MB of memory in use. ENERGY: 2508200 743.0513 2122.6484 1950.0323 113.6864 -206252.1838 17732.8405 0.0000 0.0000 34340.8691 -149249.0557 299.9074 -183589.9249 -149148.1274 299.9698 -66.4226 -35.8845 557445.7162 -2.7748 -2.7464 LDB: ============= START OF LOAD BALANCING ============== 7282.14 LDB: ============== END OF LOAD BALANCING =============== 7282.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7282.14 LDB: ============= START OF LOAD BALANCING ============== 7282.44 LDB: Largest compute 4820 load 0.030114 is 25.6% of average load 0.117739 LDB: Average compute 0.001723 is 1.5% of average load 0.117739 LDB: TIME 7282.44 LOAD: AVG 0.117739 MAX 0.181844 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 7282.44 LOAD: AVG 0.117739 MAX 0.181844 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.879 MB LDB: TIME 7282.44 LOAD: AVG 0.117739 MAX 0.181844 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.879 MB LDB: ============== END OF LOAD BALANCING =============== 7282.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7282.44 PRESSURE: 2508400 165.006 -71.8834 -0.408433 -71.8829 134.838 102.701 -0.408783 102.702 161.003 GPRESSURE: 2508400 200.144 -48.2843 22.9135 -178.141 155.208 72.6869 55.0309 104.599 200.272 PRESSAVG: 2508400 -22.2197 8.83662 -9.14829 8.83658 43.6662 -24.2494 -9.14827 -24.2495 28.4531 GPRESSAVG: 2508400 -23.196 8.40135 -9.03053 9.72776 45.0773 -25.0769 -9.71766 -22.3515 27.4701 TIMING: 2508400 CPU: 7279.27, 0.00296527/step Wall: 7279.27, 0.00296527/step, 2.0523 hours remaining, 206.277344 MB of memory in use. ENERGY: 2508400 770.2624 2078.2822 1949.1033 124.0625 -206596.5531 18074.3964 0.0000 0.0000 34406.0472 -149194.3990 300.4766 -183600.4463 -149097.1849 300.0245 153.6155 185.2078 556618.6039 16.6332 16.4505 PRESSURE: 2508600 -255.213 -174.774 65.2788 -174.775 -251.013 -12.561 65.2792 -12.5606 -398.722 GPRESSURE: 2508600 -170.308 -219.658 115.583 -104.347 -247.2 -4.91382 91.9769 -34.2173 -394.841 PRESSAVG: 2508600 39.8445 -23.4402 4.22629 -23.4401 -4.28873 20.3841 4.22628 20.384 -53.1599 GPRESSAVG: 2508600 40.3401 -23.9499 4.57489 -24.8372 -4.42583 19.8249 5.62263 21.4534 -53.6553 TIMING: 2508600 CPU: 7279.86, 0.00293439/step Wall: 7279.86, 0.00293439/step, 2.03076 hours remaining, 206.277344 MB of memory in use. ENERGY: 2508600 758.6028 2066.0343 1946.3836 111.6336 -205614.4991 17288.5589 0.0000 0.0000 34228.8711 -149214.4148 298.9292 -183443.2858 -149115.2716 298.9166 -301.6492 -270.7831 557343.9310 -5.8680 -5.9137 PRESSURE: 2508800 -84.394 44.9646 183.271 44.9649 -164.09 -33.4421 183.272 -33.4399 -155.246 GPRESSURE: 2508800 -18.061 -0.79062 73.449 105.493 -147.263 18.5825 166.325 -17.0934 -133.982 PRESSAVG: 2508800 37.6121 -40.0223 -7.76666 -40.0222 34.0181 2.07244 -7.76664 2.07248 -62.7133 GPRESSAVG: 2508800 37.9486 -36.4989 -10.334 -39.1919 33.3974 3.66791 -7.94163 1.65246 -62.581 TIMING: 2508800 CPU: 7280.44, 0.00292158/step Wall: 7280.44, 0.00292158/step, 2.02173 hours remaining, 206.277344 MB of memory in use. ENERGY: 2508800 738.2648 2100.6094 1946.0879 125.6423 -205934.8489 17479.8305 0.0000 0.0000 34339.0839 -149205.3301 299.8918 -183544.4140 -149104.3076 299.6332 -134.5766 -99.7685 556628.9536 2.9723 2.9216 PRESSURE: 2509000 6.15963 71.7974 2.15104 71.7955 -188.889 -12.6254 2.15169 -12.625 95.5932 GPRESSURE: 2509000 -4.56328 60.6341 15.1161 59.8598 -71.0249 12.2401 -26.349 117.175 81.9971 PRESSAVG: 2509000 -4.61687 -24.0545 -34.8543 -24.0546 84.3415 4.08504 -34.8542 4.08505 -42.4542 GPRESSAVG: 2509000 -5.36837 -27.4284 -31.7812 -22.5475 84.8668 0.768427 -36.7798 6.00351 -42.6151 TIMING: 2509000 CPU: 7281.02, 0.00291079/step Wall: 7281.02, 0.00291079/step, 2.01411 hours remaining, 206.277344 MB of memory in use. ENERGY: 2509000 731.6421 2095.7626 1976.8328 116.7349 -205756.6925 17453.6991 0.0000 0.0000 34240.2192 -149141.8018 299.0284 -183382.0210 -149037.3212 299.1658 -29.0455 2.1363 555910.2462 12.4235 12.2944 PRESSURE: 2509200 -43.4235 -59.519 -177.444 -59.5181 119.881 -16.3649 -177.444 -16.3631 6.95713 GPRESSURE: 2509200 -23.6256 -83.4411 -203.883 20.7924 154.452 -77.9275 -183.558 -82.1173 50.0841 PRESSAVG: 2509200 -14.5018 27.3275 -21.8654 27.3276 16.5247 -12.2198 -21.8654 -12.2198 16.0595 GPRESSAVG: 2509200 -14.7409 29.7444 -22.4406 24.2275 16.0409 -9.48482 -20.2429 -14.855 16.4518 TIMING: 2509200 CPU: 7281.61, 0.00292263/step Wall: 7281.61, 0.00292263/step, 2.02214 hours remaining, 206.277344 MB of memory in use. ENERGY: 2509200 739.6813 2134.0089 1960.6603 132.0978 -206240.0043 17827.4760 0.0000 0.0000 34227.0303 -149219.0497 298.9132 -183446.0800 -149119.3371 299.8290 27.8049 60.3035 555390.5991 6.0275 5.9173 PRESSURE: 2509400 31.2592 -144.217 136.494 -144.217 26.4894 -40.8967 136.494 -40.8966 -33.2146 GPRESSURE: 2509400 61.733 -72.4942 64.5081 -206.89 44.1007 -56.4703 216.235 -41.6989 17.5561 PRESSAVG: 2509400 0.291505 -11.0405 -24.4714 -11.0405 -4.57566 -1.14948 -24.4713 -1.14949 -28.289 GPRESSAVG: 2509400 0.531035 -9.93075 -25.1329 -10.1449 -4.94215 0.683313 -25.15 -2.04487 -28.1326 TIMING: 2509400 CPU: 7282.19, 0.00291147/step Wall: 7282.19, 0.00291147/step, 2.01425 hours remaining, 206.277344 MB of memory in use. ENERGY: 2509400 729.1092 2078.1921 1978.9759 116.8185 -206160.4600 17759.4666 0.0000 0.0000 34124.1738 -149373.7239 298.0149 -183497.8977 -149283.1551 298.8604 8.1780 41.1299 556844.5531 -10.8577 -10.8479 PRESSURE: 2509600 -47.7994 -46.7899 -7.78663 -46.7918 111.368 -225.258 -7.78647 -225.257 -72.2732 GPRESSURE: 2509600 -14.095 -113.029 -10.7742 -72.6316 199.117 -257.157 4.2222 -177.087 -83.7829 PRESSAVG: 2509600 -89.8322 -22.5741 -25.8397 -22.5742 42.893 -1.57394 -25.8398 -1.574 55.3303 GPRESSAVG: 2509600 -89.8577 -22.3334 -24.5687 -21.5306 43.0528 -2.53995 -26.059 -0.0705416 55.2882 TIMING: 2509600 CPU: 7282.77, 0.00291979/step Wall: 7282.77, 0.00291979/step, 2.01984 hours remaining, 206.277344 MB of memory in use. ENERGY: 2509600 760.4356 2037.8118 1925.3698 125.8872 -205892.1571 17712.8322 0.0000 0.0000 33898.9067 -149430.9138 296.0476 -183329.8205 -149329.2421 297.9435 -2.9016 33.7462 556306.3414 2.7970 2.8278 PRESSURE: 2509800 -326.238 127.039 -128.787 127.04 -90.3913 -34.9501 -128.787 -34.9486 113.943 GPRESSURE: 2509800 -200.669 56.4345 -141.477 158.688 -83.3604 -52.1639 -115.57 35.7146 77.9788 PRESSAVG: 2509800 -10.9626 -14.113 -17.9888 -14.113 43.1098 -0.556859 -17.9887 -0.55692 -10.1489 GPRESSAVG: 2509800 -10.2744 -16.2171 -18.0403 -14.4813 43.3303 -0.326034 -19.5348 -1.57921 -11.1257 TIMING: 2509800 CPU: 7283.36, 0.00291217/step Wall: 7283.36, 0.00291217/step, 2.01441 hours remaining, 206.460938 MB of memory in use. ENERGY: 2509800 757.4995 2060.0246 1965.4010 105.4486 -206150.1854 17669.4537 0.0000 0.0000 34284.2338 -149308.1243 299.4127 -183592.3581 -149208.5791 298.7317 -100.8953 -68.6834 557218.7880 7.3328 7.3101 PRESSURE: 2510000 149.169 80.2027 -100.852 80.2034 53.8675 70.4348 -100.853 70.4331 77.9988 GPRESSURE: 2510000 220.933 172.002 -95.7022 42.9801 37.4354 55.6632 -158.703 14.1708 116.233 PRESSAVG: 2510000 49.8237 48.4304 9.89602 48.4304 8.94519 -5.98679 9.89595 -5.98685 -37.2516 GPRESSAVG: 2510000 48.7302 47.2182 8.68614 47.802 9.06054 -4.99495 11.4996 -5.39156 -36.1673 TIMING: 2510000 CPU: 7283.94, 0.00289557/step Wall: 7283.94, 0.00289557/step, 2.00277 hours remaining, 206.664062 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: 2510000 656.3672 2098.1327 1968.6689 116.8885 -206175.1830 17868.1322 0.0000 0.0000 34196.6759 -149270.3176 298.6481 -183466.9935 -149172.5994 299.2987 93.6785 124.8672 557771.4765 7.1724 7.2078 PRESSURE: 2510200 50.1443 -154.256 65.2093 -154.256 -64.2051 -93.0648 65.2084 -93.0652 340.806 GPRESSURE: 2510200 96.4781 -60.9819 79.7461 -216.239 -6.28652 -7.64135 100.099 -182.847 327.231 PRESSAVG: 2510200 34.3144 -6.7834 -6.59595 -6.78344 18.3671 -4.54642 -6.59596 -4.54634 -45.13 GPRESSAVG: 2510200 36.5356 -7.61496 -5.39241 -3.79425 16.5138 -4.97477 -6.18599 -6.13852 -45.8436 TIMING: 2510200 CPU: 7284.51, 0.00289572/step Wall: 7284.51, 0.00289572/step, 2.00271 hours remaining, 206.664062 MB of memory in use. ENERGY: 2510200 707.0386 2044.4986 1986.3801 100.4512 -206238.7884 17997.8846 0.0000 0.0000 34228.8898 -149173.6454 298.9294 -183402.5352 -149081.0365 299.1102 108.9150 139.1409 556915.5657 2.5172 2.4020 PRESSURE: 2510400 120.433 25.8722 -176.142 25.8719 -163.913 -81.3003 -176.141 -81.3025 -29.1418 GPRESSURE: 2510400 105.855 6.41852 -201.584 -6.03152 -80.4613 -136.906 -160.575 -85.3861 0.586782 PRESSAVG: 2510400 32.8521 70.1993 -14.4964 70.1995 39.2663 -8.76168 -14.4963 -8.7616 -43.191 GPRESSAVG: 2510400 32.2949 71.3863 -12.7054 69.1452 39.3496 -10.5607 -14.5202 -8.02332 -42.3419 TIMING: 2510400 CPU: 7285.09, 0.00290283/step Wall: 7285.09, 0.00290283/step, 2.00747 hours remaining, 206.664062 MB of memory in use. ENERGY: 2510400 721.2047 2083.8781 1960.3625 117.5826 -205755.2685 17609.4861 0.0000 0.0000 34044.9444 -149217.8099 297.3230 -183262.7544 -149115.4120 299.0435 -24.2073 8.6600 556474.6849 9.6425 9.7675 PRESSURE: 2510600 155.676 -35.841 -36.0581 -35.8408 35.7446 -108.147 -36.0588 -108.148 165.6 GPRESSURE: 2510600 240.027 -1.16204 -25.9983 -92.687 59.6269 -4.79811 -119.902 -185.2 146.801 PRESSAVG: 2510600 -21.5738 -16.5671 -15.3748 -16.5671 16.7436 -19.6457 -15.3749 -19.6456 34.8826 GPRESSAVG: 2510600 -21.3308 -17.4998 -15.9705 -17.3813 17.5508 -17.407 -16.9938 -19.2479 33.8652 TIMING: 2510600 CPU: 7285.68, 0.00291898/step Wall: 7285.68, 0.00291898/step, 2.01848 hours remaining, 206.664062 MB of memory in use. ENERGY: 2510600 774.9622 2080.2113 1977.5961 104.5039 -206362.3365 18048.4756 0.0000 0.0000 34376.5751 -149000.0121 300.2192 -183376.5872 -148903.6445 299.0724 119.0067 148.8182 556124.3315 10.0175 10.0284 PRESSURE: 2510800 -195.5 15.1928 76.5266 15.1932 -223.147 -3.5878 76.5252 -3.58798 -401.052 GPRESSURE: 2510800 -159.964 -74.0652 86.5047 49.1755 -226.29 4.78846 79.0327 -15.1863 -335.982 PRESSAVG: 2510800 53.2572 5.86488 -40.7451 5.86489 -120.454 -7.98239 -40.7451 -7.9825 37.1199 GPRESSAVG: 2510800 52.4338 7.63898 -41.9733 5.64499 -120.238 -9.71654 -40.5713 -7.93005 37.6838 TIMING: 2510800 CPU: 7286.26, 0.00289867/step Wall: 7286.26, 0.00289867/step, 2.00427 hours remaining, 206.664062 MB of memory in use. ENERGY: 2510800 792.9657 2049.1295 1983.3605 116.1874 -205453.4923 17360.0589 0.0000 0.0000 34208.6562 -148943.1341 298.7527 -183151.7904 -148846.8716 299.8632 -273.2330 -240.7454 558073.0594 -10.0255 -10.0402 PRESSURE: 2511000 -59.6171 -13.6752 -47.4086 -13.6736 40.9277 -9.31304 -47.4095 -9.31361 -129.244 GPRESSURE: 2511000 -9.65506 -85.1498 -104.859 -15.8943 74.0429 -9.32965 21.6271 44.9261 -120.405 PRESSAVG: 2511000 13.5625 36.6161 11.1179 36.6162 -65.4492 -9.50761 11.1179 -9.50755 26.8887 GPRESSAVG: 2511000 13.6568 35.0985 10.9088 36.0172 -65.941 -8.00236 13.7167 -10.7456 26.9974 TIMING: 2511000 CPU: 7286.84, 0.00289855/step Wall: 7286.84, 0.00289855/step, 2.00403 hours remaining, 206.664062 MB of memory in use. ENERGY: 2511000 755.5817 2029.8087 1971.2841 116.5630 -206030.5376 17699.0133 0.0000 0.0000 34300.3913 -149157.8954 299.5538 -183458.2867 -149062.1385 299.3760 -49.3111 -18.6723 556521.7575 -8.3327 -8.4289 PRESSURE: 2511200 -50.8292 101.777 95.5937 101.776 63.827 -51.9606 95.5936 -51.9601 291.821 GPRESSURE: 2511200 -16.4583 112.487 95.2768 174.408 89.4316 -51.6773 179.563 17.9678 318.309 PRESSAVG: 2511200 4.30515 -5.64942 37.7154 -5.64954 -10.7852 -8.00196 37.7155 -8.00183 30.4906 GPRESSAVG: 2511200 5.17783 -5.31488 37.8448 -5.45397 -11.0558 -10.1189 38.1156 -5.7525 29.844 TIMING: 2511200 CPU: 7287.42, 0.00288563/step Wall: 7287.42, 0.00288563/step, 1.99493 hours remaining, 206.664062 MB of memory in use. ENERGY: 2511200 733.7276 2091.3368 1960.8713 120.0563 -206032.9319 17829.0760 0.0000 0.0000 34118.7325 -149179.1315 297.9674 -183297.8640 -149081.0983 299.0956 101.6063 130.4273 557271.2285 8.0035 7.9887 PRESSURE: 2511400 24.1432 77.2175 79.5045 77.2175 36.2478 -206.963 79.5046 -206.964 -62.4753 GPRESSURE: 2511400 -20.5929 17.5648 88.3946 48.2113 157.322 -131.904 -10.3718 -191.632 -42.001 PRESSAVG: 2511400 -42.711 -9.13703 73.7532 -9.13704 -4.85963 11.8074 73.7532 11.8075 79.6051 GPRESSAVG: 2511400 -43.2497 -10.1322 72.496 -9.34814 -5.36676 12.0024 73.3606 11.6265 80.3929 TIMING: 2511400 CPU: 7287.99, 0.00289493/step Wall: 7287.99, 0.00289493/step, 2.0012 hours remaining, 206.664062 MB of memory in use. ENERGY: 2511400 733.5615 2133.4573 1969.0787 111.1642 -205873.9630 17541.7327 0.0000 0.0000 34177.0194 -149207.9491 298.4764 -183384.9686 -149112.4211 299.2683 -0.6948 31.5762 556879.0731 10.6782 10.5921 PRESSURE: 2511600 -140.182 -171.755 91.1091 -171.755 84.1872 -24.1634 91.1091 -24.1643 -291.921 GPRESSURE: 2511600 -79.7395 -166.128 37.0634 -181.244 117.716 -41.2137 67.2513 -74.8386 -277.673 PRESSAVG: 2511600 -34.8229 -49.5202 -11.1266 -49.5201 8.95396 24.4167 -11.1265 24.4167 61.2039 GPRESSAVG: 2511600 -35.1837 -47.7366 -9.85019 -48.7518 10.4245 27.6245 -10.3 22.4894 59.6859 TIMING: 2511600 CPU: 7288.57, 0.00288865/step Wall: 7288.57, 0.00288865/step, 1.9967 hours remaining, 206.664062 MB of memory in use. ENERGY: 2511600 718.5237 2106.5418 1950.7616 128.0030 -205928.6421 17602.4814 0.0000 0.0000 34242.9140 -149179.4167 299.0519 -183422.3306 -149076.2593 299.3614 -115.9721 -79.8988 557357.8903 11.7783 11.6422 PRESSURE: 2511800 -12.5062 -67.6302 183.754 -67.631 -12.7093 -26.0188 183.754 -26.019 100.364 GPRESSURE: 2511800 -0.228606 33.9259 169.631 -62.066 11.844 -125.972 211.838 -64.0006 159.282 PRESSAVG: 2511800 -36.8931 -41.0571 -18.0449 -41.0571 36.5258 27.2616 -18.0449 27.2614 26.5668 GPRESSAVG: 2511800 -37.5631 -41.0767 -16.7895 -43.0021 36.2465 24.2634 -20.4323 29.0459 27.6662 TIMING: 2511800 CPU: 7289.15, 0.00290857/step Wall: 7289.15, 0.00290857/step, 2.01031 hours remaining, 206.664062 MB of memory in use. ENERGY: 2511800 709.0618 2092.5750 1985.2412 120.8410 -206137.8790 17821.1252 0.0000 0.0000 34238.0307 -149171.0040 299.0092 -183409.0348 -149072.2978 299.1879 25.0496 56.9659 557556.9914 8.7332 8.7832 PRESSURE: 2512000 174.095 180.311 4.79489 180.312 147.043 115.093 4.79608 115.094 340.891 GPRESSURE: 2512000 177.255 97.9973 6.75217 184.881 216.268 97.2435 -14.1757 147.717 376.88 PRESSAVG: 2512000 -8.04941 28.3779 -4.53115 28.3779 5.9614 38.247 -4.53109 38.247 -49.7577 GPRESSAVG: 2512000 -7.43642 28.959 -7.05878 29.8538 5.57245 37.6345 -4.13378 37.3378 -49.7326 TIMING: 2512000 CPU: 7289.73, 0.00288964/step Wall: 7289.73, 0.00288964/step, 1.99706 hours remaining, 206.664062 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: 2512000 719.1855 2062.0322 1981.7487 110.0099 -206743.4656 18224.2668 0.0000 0.0000 34289.6598 -149356.5628 299.4601 -183646.2226 -149265.9287 299.1624 220.6765 256.8012 556503.0773 -17.2819 -17.1989 PRESSURE: 2512200 102.527 -68.9943 -39.8054 -68.9944 -171.311 24.4934 -39.8061 24.4936 -157.504 GPRESSURE: 2512200 145.69 -158.059 -58.1661 -6.43994 -184.67 -3.23887 -60.6159 42.5065 -90.7046 PRESSAVG: 2512200 14.9295 0.860479 17.1858 0.860474 -59.0643 56.0463 17.1858 56.0463 25.6905 GPRESSAVG: 2512200 15.3199 -0.0957843 19.2215 -0.14986 -59.532 56.4046 17.182 56.1042 25.4504 TIMING: 2512200 CPU: 7290.31, 0.00290123/step Wall: 7290.31, 0.00290123/step, 2.00491 hours remaining, 206.664062 MB of memory in use. ENERGY: 2512200 732.6755 2079.3767 1962.4167 109.4876 -206071.4517 17753.3458 0.0000 0.0000 34095.7043 -149338.4451 297.7663 -183434.1494 -149243.5944 298.1379 -75.4295 -43.2282 559654.2341 -6.1481 -6.2539 LDB: ============= START OF LOAD BALANCING ============== 7293.78 LDB: ============== END OF LOAD BALANCING =============== 7293.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7293.78 LDB: ============= START OF LOAD BALANCING ============== 7294.07 LDB: Largest compute 4821 load 0.030750 is 26.1% of average load 0.117739 LDB: Average compute 0.001714 is 1.5% of average load 0.117739 LDB: TIME 7294.07 LOAD: AVG 0.117739 MAX 0.176781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.191 MB LDB: TIME 7294.07 LOAD: AVG 0.117739 MAX 0.176781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: TIME 7294.07 LOAD: AVG 0.117739 MAX 0.176781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7294.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7294.08 PRESSURE: 2512400 103.882 31.4721 70.4779 31.4726 -72.243 -0.48674 70.4779 -0.486573 297.47 GPRESSURE: 2512400 66.2454 60.7921 85.6669 71.2095 -29.9436 23.8218 -1.02461 -26.9477 396.691 PRESSAVG: 2512400 -27.9387 -7.76586 -7.01813 -7.76577 -47.4975 29.4044 -7.01814 29.4045 70.6679 GPRESSAVG: 2512400 -27.6625 -8.28136 -6.47 -6.39634 -47.6589 29.7277 -8.24647 29.9136 70.6503 TIMING: 2512400 CPU: 7290.9, 0.00296136/step Wall: 7290.9, 0.00296136/step, 2.0463 hours remaining, 205.644531 MB of memory in use. ENERGY: 2512400 714.1854 2065.4999 1949.1997 113.1245 -206355.8300 18036.2934 0.0000 0.0000 34316.6595 -149160.8678 299.6959 -183477.5273 -149069.5547 298.5260 109.7028 144.3311 558692.3723 -1.5894 -1.5571 PRESSURE: 2512600 -112.572 69.2109 -48.3765 69.212 -6.91953 254.405 -48.3754 254.403 -50.0171 GPRESSURE: 2512600 -27.4259 5.88689 -118.422 89.273 -10.6942 236.154 -63.7527 233.509 -29.0861 PRESSAVG: 2512600 68.6601 30.4381 -3.92334 30.4381 -43.7999 -26.3039 -3.92338 -26.304 -59.9004 GPRESSAVG: 2512600 68.3337 30.5968 -4.13658 30.4276 -42.946 -25.4201 -3.12069 -29.1863 -60.6011 TIMING: 2512600 CPU: 7291.49, 0.00291724/step Wall: 7291.49, 0.00291724/step, 2.01565 hours remaining, 205.886719 MB of memory in use. ENERGY: 2512600 757.1867 2078.1025 1924.3904 105.2780 -205914.3325 17619.6148 0.0000 0.0000 34400.1442 -149029.6158 300.4250 -183429.7600 -148931.8383 299.3428 -56.5028 -22.4021 557969.6161 -11.6800 -11.7378 PRESSURE: 2512800 247.021 -27.4611 214.86 -27.4605 28.3418 -188.1 214.859 -188.1 6.7458 GPRESSURE: 2512800 274.388 -60.7398 250.935 5.1932 67.2829 -145.064 197.559 -181.051 47.4687 PRESSAVG: 2512800 83.0384 -21.5199 51.1529 -21.5199 -37.4875 -29.6431 51.1529 -29.6431 -81.7955 GPRESSAVG: 2512800 82.3217 -22.8237 50.8596 -19.84 -36.4306 -30.0938 53.5264 -26.0809 -81.5243 TIMING: 2512800 CPU: 7292.07, 0.00291154/step Wall: 7292.07, 0.00291154/step, 2.01155 hours remaining, 205.886719 MB of memory in use. ENERGY: 2512800 728.3549 2083.3202 1940.1240 105.7512 -206200.9041 17811.6682 0.0000 0.0000 34347.3682 -149184.3175 299.9641 -183531.6857 -149088.0038 299.2163 94.0363 129.7132 556479.5774 -12.0815 -11.8778 PRESSURE: 2513000 -222.625 -30.4006 75.2626 -30.4013 101.43 109.455 75.2631 109.456 -216.43 GPRESSURE: 2513000 -191.049 -21.3993 130.572 -51.584 127.466 78.0404 89.768 112.152 -171.402 PRESSAVG: 2513000 24.3897 -18.6259 -9.37268 -18.626 12.2746 -16.7209 -9.37267 -16.7208 2.21491 GPRESSAVG: 2513000 26.0879 -16.9353 -8.91766 -20.3807 11.3882 -16.3363 -13.1116 -19.1822 1.39042 TIMING: 2513000 CPU: 7292.65, 0.0028943/step Wall: 7292.65, 0.0028943/step, 1.99948 hours remaining, 205.886719 MB of memory in use. ENERGY: 2513000 739.7105 2161.1167 1971.6821 122.9353 -205920.0396 17582.6799 0.0000 0.0000 34186.9338 -149154.9813 298.5630 -183341.9151 -149059.6025 299.5712 -112.5418 -78.3282 557722.7730 12.9597 12.9555 PRESSURE: 2513200 12.8238 21.5085 -138.262 21.51 -124.437 -28.1249 -138.262 -28.1239 -143.001 GPRESSURE: 2513200 -16.4932 7.40267 -55.6673 -21.2889 8.32439 41.7091 -202.088 -149.55 -140.649 PRESSAVG: 2513200 -17.2904 13.3494 3.40714 13.3494 58.0928 -11.6088 3.40713 -11.6088 -29.9434 GPRESSAVG: 2513200 -17.6804 11.4384 2.8981 12.8097 58.8377 -11.2205 5.69615 -10.6583 -29.5201 TIMING: 2513200 CPU: 7293.23, 0.00290201/step Wall: 7293.23, 0.00290201/step, 2.00465 hours remaining, 206.183594 MB of memory in use. ENERGY: 2513200 772.4718 2088.6567 1953.1949 124.7828 -206008.9640 17789.7326 0.0000 0.0000 34149.3198 -149130.8054 298.2345 -183280.1253 -149034.2424 299.4340 -84.8716 -49.6058 557383.9252 3.6197 3.8790 PRESSURE: 2513400 -166.426 -116.034 85.1861 -116.033 225.384 60.6026 85.1847 60.603 -152.47 GPRESSURE: 2513400 -142.904 -42.3925 16.7281 -179.61 238.413 -35.145 63.2527 35.9835 -115.72 PRESSAVG: 2513400 -29.372 -33.6284 -29.7875 -33.6284 39.6174 -40.8805 -29.7875 -40.8804 -6.62542 GPRESSAVG: 2513400 -29.5769 -31.0696 -28.8449 -34.7645 38.5045 -42.1868 -29.6741 -41.1882 -5.58167 TIMING: 2513400 CPU: 7293.81, 0.00291159/step Wall: 7293.81, 0.00291159/step, 2.0111 hours remaining, 206.183594 MB of memory in use. ENERGY: 2513400 716.4466 2117.1971 1974.2640 109.6906 -206272.0601 17691.3279 0.0000 0.0000 34484.5461 -149178.5878 301.1621 -183663.1339 -149082.8298 299.2554 -31.1710 -6.7369 557922.1494 1.2067 1.1153 PRESSURE: 2513600 -101.571 15.1762 39.017 15.1771 -34.686 47.4428 39.0179 47.4429 -100.507 GPRESSURE: 2513600 -62.4155 -28.6237 58.965 49.3809 -43.5841 -27.7642 76.5373 80.9691 -33.0404 PRESSAVG: 2513600 -19.0752 13.6335 -25.1622 13.6336 105.783 46.306 -25.1622 46.306 -94.0193 GPRESSAVG: 2513600 -19.5828 11.4329 -25.9872 14.9481 106.612 44.7551 -26.3015 47.5124 -94.4818 TIMING: 2513600 CPU: 7294.39, 0.00289798/step Wall: 7294.39, 0.00289798/step, 2.00154 hours remaining, 206.183594 MB of memory in use. ENERGY: 2513600 721.5026 2128.4879 1976.3328 121.4428 -205870.7481 17589.1585 0.0000 0.0000 34079.3409 -149254.4826 297.6234 -183333.8235 -149153.2004 299.0646 -78.9213 -46.3466 557004.7578 -2.4373 -2.4841 PRESSURE: 2513800 -117.554 50.5547 64.2472 50.5541 74.6647 72.3243 64.2463 72.3235 -201.287 GPRESSURE: 2513800 -32.9803 99.6057 28.7431 59.7071 122.068 75.2987 73.6041 98.9777 -240.992 PRESSAVG: 2513800 7.2592 8.71762 1.68443 8.71766 -25.6079 -53.121 1.68445 -53.1211 0.252575 GPRESSAVG: 2513800 7.33461 10.7025 0.0745433 6.83602 -25.605 -49.1951 2.00033 -55.4881 -0.103867 TIMING: 2513800 CPU: 7294.97, 0.00288101/step Wall: 7294.97, 0.00288101/step, 1.98966 hours remaining, 206.183594 MB of memory in use. ENERGY: 2513800 777.5533 2108.6725 1970.9830 120.3318 -206477.4476 17825.8963 0.0000 0.0000 34500.5263 -149173.4843 301.3017 -183674.0106 -149070.9372 299.1462 -81.3919 -50.6346 556473.4168 -6.0320 -6.1247 PRESSURE: 2514000 32.9804 -68.0436 -74.0799 -68.0449 182.334 17.579 -74.0797 17.5801 -32.2702 GPRESSURE: 2514000 65.1015 7.1762 -66.6701 -51.147 207.84 89.9536 -19.3773 17.2504 1.70436 PRESSAVG: 2514000 -13.8379 41.0254 -8.12711 41.0254 39.4548 -8.29924 -8.12716 -8.29933 4.37763 GPRESSAVG: 2514000 -13.9585 38.0752 -5.94746 44.2158 38.9367 -9.43056 -7.3524 -6.99439 5.23242 TIMING: 2514000 CPU: 7295.54, 0.00288349/step Wall: 7295.54, 0.00288349/step, 1.99121 hours remaining, 206.183594 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: 2514000 740.2650 2073.1125 1949.7838 111.0520 -206419.9227 17910.0016 0.0000 0.0000 34463.0811 -149172.6266 300.9747 -183635.7078 -149077.7400 299.4566 61.0149 91.5486 557710.4394 9.9982 10.0702 PRESSURE: 2514200 -124.248 -43.9273 -59.2231 -43.9275 -255.468 193.198 -59.2221 193.201 -60.792 GPRESSURE: 2514200 -49.9328 14.7285 -87.8977 -69.0927 -213.785 142.634 -26.5306 272.079 -89.7748 PRESSAVG: 2514200 62.433 -12.7092 40.3845 -12.7093 4.98948 19.1291 40.3845 19.129 -60.9986 GPRESSAVG: 2514200 63.6224 -11.1584 39.0397 -14.8936 4.0776 19.2131 39.3783 19.6478 -61.3787 TIMING: 2514200 CPU: 7296.12, 0.00287571/step Wall: 7296.12, 0.00287571/step, 1.98568 hours remaining, 206.183594 MB of memory in use. ENERGY: 2514200 761.4179 2083.5363 1980.8813 101.9349 -205583.8244 17286.5438 0.0000 0.0000 34337.5333 -149031.9770 299.8782 -183369.5103 -148943.3900 299.7809 -146.8359 -117.8309 556464.6547 2.1413 2.1071 PRESSURE: 2514400 342.39 -10.2014 -165.616 -10.2018 110.282 32.4152 -165.616 32.4168 -50.7514 GPRESSURE: 2514400 366.652 11.9168 -113.397 -16.382 117.853 -60.1228 -132.597 98.9423 7.6094 PRESSAVG: 2514400 40.8191 -29.8877 42.4247 -29.8877 -23.4046 10.7882 42.4247 10.7883 -5.60193 GPRESSAVG: 2514400 38.9808 -29.3694 42.9268 -29.6951 -21.6005 9.96672 41.5756 11.8503 -5.59532 TIMING: 2514400 CPU: 7296.69, 0.00287921/step Wall: 7296.69, 0.00287921/step, 1.98794 hours remaining, 206.183594 MB of memory in use. ENERGY: 2514400 750.8105 2040.8379 1949.5591 104.8115 -206400.9022 17986.4288 0.0000 0.0000 34393.9675 -149174.4870 300.3711 -183568.4544 -149072.1621 299.6736 133.9736 164.0381 555826.7802 3.9375 3.9283 PRESSURE: 2514600 -166.675 171.113 -214.331 171.114 84.3629 15.5304 -214.332 15.5309 42.3241 GPRESSURE: 2514600 -134.715 129.661 -228.21 131.827 106.393 81.9046 -235.201 -13.255 78.3593 PRESSAVG: 2514600 -49.9629 -45.9031 36.0627 -45.903 2.35897 40.059 36.0628 40.059 57.3394 GPRESSAVG: 2514600 -49.6689 -48.2072 36.4474 -44.642 1.25626 41.2726 36.1538 37.4476 58.171 TIMING: 2514600 CPU: 7297.27, 0.00287421/step Wall: 7297.27, 0.00287421/step, 1.98432 hours remaining, 206.183594 MB of memory in use. ENERGY: 2514600 734.3201 2100.4451 1971.4572 105.8774 -205821.0966 17730.1332 0.0000 0.0000 34215.0794 -148963.7843 298.8088 -183178.8637 -148867.4909 299.7263 -13.3292 16.6793 556496.1942 3.2452 3.2528 PRESSURE: 2514800 122.317 -33.3631 -114.285 -33.3614 312.805 -16.3414 -114.286 -16.3393 120.928 GPRESSURE: 2514800 178.962 -97.4364 -61.8118 -74.1793 287.974 -29.2865 -126.451 -36.3532 187.464 PRESSAVG: 2514800 -50.5649 70.426 36.295 70.4259 -34.5612 -17.7745 36.2949 -17.7745 48.809 GPRESSAVG: 2514800 -49.0979 71.4059 34.2924 68.2092 -35.5065 -16.6407 37.581 -18.522 48.7823 TIMING: 2514800 CPU: 7297.85, 0.00288821/step Wall: 7297.85, 0.00288821/step, 1.99383 hours remaining, 206.183594 MB of memory in use. ENERGY: 2514800 719.1240 2075.7467 1960.5808 111.7882 -206406.2296 18139.3928 0.0000 0.0000 34174.6682 -149224.9289 298.4559 -183399.5971 -149129.0420 299.4905 185.3499 218.1332 556794.8854 -12.1057 -11.9407 PRESSURE: 2515000 234.861 192.063 -45.5619 192.063 -126.686 -18.939 -45.5624 -18.9391 -272.666 GPRESSURE: 2515000 289.604 185.157 23.0166 191.769 -110.367 10.8604 -44.9878 -68.5486 -247.686 PRESSAVG: 2515000 -28.8805 36.5239 -3.21138 36.524 38.5332 1.88903 -3.21128 1.88901 5.2744 GPRESSAVG: 2515000 -30.19 39.8342 -2.34121 36.3784 39.6427 -2.01421 -3.80426 4.97601 5.24521 TIMING: 2515000 CPU: 7298.43, 0.00289706/step Wall: 7298.43, 0.00289706/step, 1.99977 hours remaining, 206.183594 MB of memory in use. ENERGY: 2515000 745.4913 2084.7658 1955.3352 111.1889 -205995.3753 17652.5529 0.0000 0.0000 34450.8176 -148995.2236 300.8676 -183446.0412 -148905.3224 299.1697 -54.8303 -22.8161 556344.5726 4.9757 4.8993 PRESSURE: 2515200 34.1215 -172.106 -106.402 -172.107 -114.722 66.7892 -106.402 66.7883 -230.976 GPRESSURE: 2515200 62.0959 -149.558 -40.8857 -184.571 -99.8941 19.7366 -44.9817 97.7569 -167.169 PRESSAVG: 2515200 29.254 19.9273 -8.81394 19.9274 4.23382 43.8822 -8.81387 43.8821 -33.2316 GPRESSAVG: 2515200 30.2652 16.3321 -9.00457 21.8332 3.83898 45.0637 -8.74258 44.0565 -33.0846 TIMING: 2515200 CPU: 7299, 0.00288684/step Wall: 7299, 0.00288684/step, 1.99256 hours remaining, 206.183594 MB of memory in use. ENERGY: 2515200 767.7394 2032.7312 1946.8137 117.5617 -205873.7538 17689.5752 0.0000 0.0000 34318.2786 -149001.0540 299.7101 -183319.3326 -148913.5547 300.4725 -103.8589 -68.3225 557672.9396 0.0854 0.3399 PRESSURE: 2515400 -51.2072 -112.422 -53.0237 -112.423 -175.907 55.8193 -53.0237 55.8181 -95.8393 GPRESSURE: 2515400 17.1681 -143.84 -112.552 -48.6149 -170.551 85.1473 75.4643 63.5419 -85.7368 PRESSAVG: 2515400 59.3217 -6.43268 -40.439 -6.43274 -70.8821 -13.5625 -40.439 -13.5625 11.2677 GPRESSAVG: 2515400 59.7729 -6.20605 -41.1348 -4.4752 -69.7137 -11.3765 -39.4414 -14.934 9.69556 TIMING: 2515400 CPU: 7299.59, 0.00290427/step Wall: 7299.59, 0.00290427/step, 2.00443 hours remaining, 206.183594 MB of memory in use. ENERGY: 2515400 755.2590 2081.7416 1979.2742 113.9511 -205598.0967 17526.6974 0.0000 0.0000 34156.6227 -148984.5508 298.2983 -183141.1735 -148890.8052 299.6200 -107.6512 -79.7066 556903.8370 -0.0975 -0.0817 PRESSURE: 2515600 115.927 -182.227 27.3184 -182.228 -186.304 -102.603 27.3189 -102.604 -194.311 GPRESSURE: 2515600 104.833 -112.317 63.1031 -213.518 -151.326 16.5718 18.3286 -134.799 -128.228 PRESSAVG: 2515600 -22.9609 0.934635 -16.0037 0.934621 20.554 9.09762 -16.0037 9.09767 3.50752 GPRESSAVG: 2515600 -23.4863 3.43132 -16.6232 -0.136611 20.759 9.1839 -16.32 10.5657 3.82503 TIMING: 2515600 CPU: 7300.17, 0.00291481/step Wall: 7300.17, 0.00291481/step, 2.01154 hours remaining, 206.183594 MB of memory in use. ENERGY: 2515600 733.2316 1987.4140 1977.7650 115.2019 -205472.8870 17455.8301 0.0000 0.0000 34282.4230 -148921.0213 299.3969 -183203.4443 -148823.8856 300.1444 -88.2297 -58.2403 557534.6805 0.3669 0.3659 PRESSURE: 2515800 -218.257 -93.4409 199.82 -93.4423 -63.4324 10.7475 199.822 10.7474 -83.5379 GPRESSURE: 2515800 -148.136 -69.8804 159.783 -97.1552 -1.28175 78.4241 226.572 -14.6316 -116.916 PRESSAVG: 2515800 -15.4521 -16.7271 12.9121 -16.7271 56.113 -65.6956 12.912 -65.6957 -51.6245 GPRESSAVG: 2515800 -14.7682 -19.0518 14.6225 -17.0545 55.6275 -67.0543 12.5857 -65.3653 -50.9041 TIMING: 2515800 CPU: 7300.75, 0.00290393/step Wall: 7300.75, 0.00290393/step, 2.00387 hours remaining, 206.183594 MB of memory in use. ENERGY: 2515800 776.0840 2072.2354 1972.0355 110.5580 -206157.0120 17649.7906 0.0000 0.0000 34536.9534 -149039.3550 301.6198 -183576.3085 -148948.0900 300.3189 -121.7423 -88.7781 557286.0828 -3.6546 -3.3483 PRESSURE: 2516000 -107.699 -50.3312 6.44352 -50.3307 57.4842 -41.1493 6.44244 -41.1499 -175.786 GPRESSURE: 2516000 -110.141 -64.3721 -62.1849 -67.7177 149.224 -94.7588 41.3858 -27.3226 -181.439 PRESSAVG: 2516000 -68.2047 -14.8853 -26.0337 -14.8853 12.8098 -25.9481 -26.0336 -25.948 70.5681 GPRESSAVG: 2516000 -67.6714 -14.2294 -27.7062 -16.6436 13.6503 -26.6646 -25.96 -27.2644 69.2972 TIMING: 2516000 CPU: 7301.33, 0.00292467/step Wall: 7301.33, 0.00292467/step, 2.01802 hours remaining, 206.183594 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: 2516000 783.1906 2106.0852 1970.8328 121.7844 -205899.2808 17637.1060 0.0000 0.0000 34333.3559 -148946.9259 299.8417 -183280.2818 -148857.5676 299.8685 -75.3335 -47.4520 556784.1445 5.0578 5.0921 PRESSURE: 2516200 39.3366 -261.388 30.6805 -261.387 -177.299 20.2411 30.6788 20.242 -195.776 GPRESSURE: 2516200 101.206 -225.55 14.4231 -290.012 -156.667 42.383 77.984 3.17206 -171.245 PRESSAVG: 2516200 -0.859269 -5.77548 31.5616 -5.77547 12.6433 53.3018 31.5616 53.3017 -57.5434 GPRESSAVG: 2516200 -1.18902 -4.44437 31.4016 -5.99342 11.753 53.8647 31.3658 54.1451 -56.5883 TIMING: 2516200 CPU: 7301.91, 0.0028883/step Wall: 7301.91, 0.0028883/step, 1.99276 hours remaining, 206.183594 MB of memory in use. ENERGY: 2516200 761.9525 2030.8217 1958.3849 121.2252 -206051.2994 17715.3024 0.0000 0.0000 34499.9273 -148963.6853 301.2964 -183463.6127 -148863.9677 299.4869 -111.2462 -75.5687 557434.6304 -15.2531 -15.3414 LDB: ============= START OF LOAD BALANCING ============== 7305.38 LDB: ============== END OF LOAD BALANCING =============== 7305.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7305.38 LDB: ============= START OF LOAD BALANCING ============== 7305.67 LDB: Largest compute 4821 load 0.032155 is 27.3% of average load 0.117781 LDB: Average compute 0.001722 is 1.5% of average load 0.117781 LDB: TIME 7305.68 LOAD: AVG 0.117781 MAX 0.177491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 7305.68 LOAD: AVG 0.117781 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 7305.68 LOAD: AVG 0.117781 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7305.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7305.68 PRESSURE: 2516400 -68.3374 -60.8248 -12.8503 -60.825 -93.6901 110.453 -12.8497 110.453 -39.1256 GPRESSURE: 2516400 -59.6646 -23.6371 -66.2827 -102.278 -93.0864 89.9976 27.5986 50.6452 51.2673 PRESSAVG: 2516400 -10.8203 -36.6098 26.6496 -36.6097 99.9549 12.3404 26.6496 12.3405 -46.4421 GPRESSAVG: 2516400 -11.2503 -38.6979 27.2823 -34.7887 99.7803 11.2291 26.1472 12.9211 -45.3526 TIMING: 2516400 CPU: 7302.51, 0.00298045/step Wall: 7302.51, 0.00298045/step, 2.05618 hours remaining, 207.218750 MB of memory in use. ENERGY: 2516400 740.3966 2131.9705 1969.8187 119.4414 -206165.7554 17805.6400 0.0000 0.0000 34502.9309 -148895.5572 301.3227 -183398.4881 -148795.7369 300.2478 -67.0510 -33.8279 558358.4344 14.2308 14.3924 PRESSURE: 2516600 -144.662 -17.1798 60.6416 -17.1805 176.432 -300.531 60.6412 -300.531 -19.833 GPRESSURE: 2516600 -136.395 21.5444 29.9026 -73.4339 221.272 -290.826 37.5106 -290.641 24.3429 PRESSAVG: 2516600 -12.4936 -38.0381 10.2469 -38.0381 48.9478 13.6209 10.247 13.6209 8.59599 GPRESSAVG: 2516600 -12.5519 -36.2709 10.9948 -39.5213 50.3228 15.3898 10.4618 12.4472 7.50619 TIMING: 2516600 CPU: 7303.09, 0.00290764/step Wall: 7303.09, 0.00290764/step, 2.00578 hours remaining, 207.289062 MB of memory in use. ENERGY: 2516600 735.9128 2166.2141 1941.6535 109.9369 -206210.4575 17921.0828 0.0000 0.0000 34334.1771 -149001.4804 299.8489 -183335.6574 -148911.1316 299.9630 3.9792 36.4066 558548.9538 15.0167 15.0924 PRESSURE: 2516800 220.469 84.8627 -117.66 84.8632 244.844 80.1684 -117.659 80.1684 -223.211 GPRESSURE: 2516800 205.502 110.449 -136.565 -26.0789 278.65 83.2813 -202.055 78.3045 -149.096 PRESSAVG: 2516800 -15.7365 -8.85171 9.2036 -8.85169 29.3833 -21.2923 9.20365 -21.2922 17.5029 GPRESSAVG: 2516800 -16.2079 -11.0585 9.05083 -8.05794 29.0067 -22.0602 6.20242 -19.5566 17.7494 TIMING: 2516800 CPU: 7303.67, 0.00288981/step Wall: 7303.67, 0.00288981/step, 1.99332 hours remaining, 207.398438 MB of memory in use. ENERGY: 2516800 717.4596 2014.2296 1978.4473 112.5565 -206469.6253 18276.0751 0.0000 0.0000 34210.8460 -149160.0112 298.7718 -183370.8572 -149071.5961 299.4407 80.7007 111.6852 558797.8775 10.3832 10.1828 PRESSURE: 2517000 215.191 52.4122 1.69561 52.4118 9.68573 -66.2563 1.69556 -66.2559 -36.3412 GPRESSURE: 2517000 207.687 3.92059 -4.53225 44.0174 46.6359 -115.165 -8.42908 -29.1213 27.5467 PRESSAVG: 2517000 36.7298 -12.0106 18.7757 -12.0105 -31.3165 38.8117 18.7758 38.8117 4.3064 GPRESSAVG: 2517000 36.839 -11.7806 21.1154 -12.9179 -30.5391 39.8758 20.9731 35.0055 4.1538 TIMING: 2517000 CPU: 7304.25, 0.00289955/step Wall: 7304.25, 0.00289955/step, 1.99988 hours remaining, 207.398438 MB of memory in use. ENERGY: 2517000 722.7334 2032.8320 1974.8970 110.3083 -206685.8641 18105.5201 0.0000 0.0000 34516.9891 -149222.5842 301.4455 -183739.5733 -149122.0807 298.8380 62.8451 93.9565 558878.3867 3.2399 3.4846 PRESSURE: 2517200 80.9093 -120.414 12.0643 -120.412 96.7446 13.1161 12.0631 13.1168 -76.5361 GPRESSURE: 2517200 69.981 -69.143 49.3897 -91.993 130.568 143.541 55.3342 -24.3059 -4.60607 PRESSAVG: 2517200 3.69062 7.19884 -17.268 7.19891 37.8526 11.1978 -17.268 11.1977 -10.4834 GPRESSAVG: 2517200 3.33957 7.07653 -21.2389 8.93055 39.1662 10.8392 -16.5414 14.5314 -11.7146 TIMING: 2517200 CPU: 7304.82, 0.00287754/step Wall: 7304.82, 0.00287754/step, 1.98454 hours remaining, 207.398438 MB of memory in use. ENERGY: 2517200 808.7013 2050.2476 1945.9868 117.1757 -206364.2364 18066.0712 0.0000 0.0000 34204.0492 -149172.0045 298.7125 -183376.0537 -149071.5752 299.4260 33.7060 65.3142 558362.8931 10.3533 10.2637 PRESSURE: 2517400 165.028 168.628 -137.536 168.63 -310.52 -74.813 -137.535 -74.8119 166.35 GPRESSURE: 2517400 217.778 152.696 -80.4312 157.318 -216.412 -128.944 -94.764 -36.5747 104.811 PRESSAVG: 2517400 -15.105 35.2819 -26.6166 35.2819 -31.1798 10.0025 -26.6164 10.0025 67.8849 GPRESSAVG: 2517400 -14.7651 34.1845 -22.6129 37.1198 -31.1995 9.95943 -28.032 10.252 68.504 TIMING: 2517400 CPU: 7305.4, 0.00289551/step Wall: 7305.4, 0.00289551/step, 1.99678 hours remaining, 207.398438 MB of memory in use. ENERGY: 2517400 741.5929 2098.8427 1957.6819 112.1438 -205850.9915 17667.9818 0.0000 0.0000 34129.8829 -149142.8655 298.0648 -183272.7484 -149043.2180 299.3498 6.9526 35.3923 557703.0379 7.2000 7.5131 PRESSURE: 2517600 -52.7958 14.5356 -78.3065 14.5356 -62.7246 95.2921 -78.3054 95.2935 -31.8612 GPRESSURE: 2517600 -67.5272 -43.3816 -80.4306 133.383 -6.70871 63.4917 -109.667 31.3291 14.9335 PRESSAVG: 2517600 -20.9794 -3.2694 -21.7489 -3.26941 34.2631 12.4218 -21.7489 12.4219 -8.80981 GPRESSAVG: 2517600 -20.8715 -1.84945 -22.9321 -4.10847 33.251 12.7175 -21.9624 11.6269 -8.13678 TIMING: 2517600 CPU: 7305.98, 0.00290024/step Wall: 7305.98, 0.00290024/step, 1.99987 hours remaining, 207.398438 MB of memory in use. ENERGY: 2517600 731.6448 2086.3796 1945.1437 109.3753 -205815.9972 17615.5709 0.0000 0.0000 34189.9179 -149137.9649 298.5891 -183327.8828 -149042.3590 299.2497 -49.1272 -19.7675 558569.5956 1.4913 1.4142 PRESSURE: 2517800 -27.5585 16.6348 143.697 16.6342 72.4815 133.957 143.697 133.957 -20.6488 GPRESSURE: 2517800 8.03925 24.9768 134.549 61.4388 57.9682 113.037 93.1804 115.279 55.7974 PRESSAVG: 2517800 -22.9446 82.3705 20.8929 82.3705 63.1662 40.3185 20.8929 40.3186 -34.3788 GPRESSAVG: 2517800 -22.4534 83.1933 20.0572 80.7477 63.0609 38.3709 21.1095 41.3603 -34.3791 TIMING: 2517800 CPU: 7306.56, 0.00289883/step Wall: 7306.56, 0.00289883/step, 1.99874 hours remaining, 207.542969 MB of memory in use. ENERGY: 2517800 744.4102 2137.8830 1973.9895 120.1493 -205865.1067 17744.7576 0.0000 0.0000 34066.8538 -149077.0632 297.5143 -183143.9170 -148985.5103 298.7396 8.0914 40.6016 559381.1585 1.9476 2.0761 PRESSURE: 2518000 -100.035 32.493 -8.8764 32.4942 30.247 173.258 -8.87671 173.257 8.86944 GPRESSURE: 2518000 -72.1553 -26.2471 103.973 14.507 13.44 115.063 -36.6695 246.825 83.3741 PRESSAVG: 2518000 62.0836 -14.7162 -16.665 -14.7161 -29.6323 -5.0847 -16.6649 -5.08468 -46.9562 GPRESSAVG: 2518000 61.2474 -13.9213 -16.2713 -14.8348 -30.1153 -4.87451 -16.5075 -5.03383 -45.8521 TIMING: 2518000 CPU: 7307.14, 0.00290427/step Wall: 7307.14, 0.00290427/step, 2.00233 hours remaining, 207.542969 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: 2518000 742.0043 2157.4448 1964.4381 108.6810 -206002.6389 17802.0575 0.0000 0.0000 34294.3348 -148933.6784 299.5010 -183228.0132 -148834.8736 298.9182 -20.3063 8.2196 560296.5497 -4.8350 -4.9067 PRESSURE: 2518200 -44.4115 66.8454 24.5633 66.8457 136.448 108.173 24.5636 108.174 211.529 GPRESSURE: 2518200 62.6663 136.884 38.0342 15.5458 154.837 42.7821 47.1142 32.6287 173.724 PRESSAVG: 2518200 72.8234 -50.2117 37.1485 -50.2117 -72.2926 54.8966 37.1485 54.8966 12.394 GPRESSAVG: 2518200 72.4046 -51.4736 37.172 -49.656 -70.4986 54.7449 38.3785 54.1183 10.8904 TIMING: 2518200 CPU: 7307.72, 0.00288211/step Wall: 7307.72, 0.00288211/step, 1.9869 hours remaining, 207.542969 MB of memory in use. ENERGY: 2518200 750.1996 2071.4405 1952.5226 116.9427 -206148.9717 17941.2279 0.0000 0.0000 34451.7675 -148864.8708 300.8759 -183316.6383 -148766.9186 299.8406 101.1884 130.4089 558877.4643 4.3083 4.2655 PRESSURE: 2518400 -194.002 29.9552 -30.3747 29.9553 -13.5169 184.952 -30.3738 184.951 -134.137 GPRESSURE: 2518400 -134.714 49.0237 -53.1839 -53.5864 23.3814 233.923 77.6121 140.932 -122.19 PRESSAVG: 2518400 -4.70205 -53.2722 -45.1328 -53.2722 41.059 -27.4509 -45.1327 -27.4509 -4.21075 GPRESSAVG: 2518400 -3.95323 -52.8363 -43.2421 -51.8191 40.5968 -24.1309 -46.3091 -29.1012 -4.3483 TIMING: 2518400 CPU: 7308.3, 0.00289183/step Wall: 7308.3, 0.00289183/step, 1.99344 hours remaining, 207.542969 MB of memory in use. ENERGY: 2518400 749.2119 2088.4686 1939.6569 114.8459 -205972.8870 17849.6177 0.0000 0.0000 34397.5557 -148833.5303 300.4024 -183231.0860 -148738.7177 300.3469 -113.8853 -77.8409 559597.1940 10.7154 10.7651 PRESSURE: 2518600 58.4109 -86.9457 135.331 -86.9461 15.8585 90.5244 135.331 90.524 91.8284 GPRESSURE: 2518600 120.675 25.3048 160.016 -164.413 101.057 60.7595 122.472 72.8348 40.4676 PRESSAVG: 2518600 -8.18347 -25.0698 -5.82712 -25.0699 -2.02057 -12.5506 -5.82711 -12.5507 -14.0567 GPRESSAVG: 2518600 -8.5692 -23.9811 -6.54726 -26.3139 -1.55552 -14.2542 -5.75047 -11.8232 -13.6235 TIMING: 2518600 CPU: 7308.88, 0.00290833/step Wall: 7308.88, 0.00290833/step, 2.00464 hours remaining, 207.542969 MB of memory in use. ENERGY: 2518600 727.5807 2087.3981 1963.7209 116.6862 -206055.4184 17919.7969 0.0000 0.0000 34427.0601 -148813.1756 300.6601 -183240.2357 -148717.3713 299.6365 55.3659 87.3999 557437.0076 -8.0869 -7.9161 PRESSURE: 2518800 -67.4404 174.987 -55.6076 174.989 112.625 -81.0997 -55.6078 -81.1015 302.939 GPRESSURE: 2518800 29.303 98.5705 -49.2193 140.966 99.5366 -51.1405 -64.1681 -12.7102 328.146 PRESSAVG: 2518800 -24.4283 6.5922 6.94968 6.59222 0.309161 -7.81611 6.94971 -7.81598 31.5671 GPRESSAVG: 2518800 -23.9367 2.73855 6.47089 5.70224 -0.949998 -7.88175 6.37769 -4.75069 32.5261 TIMING: 2518800 CPU: 7309.46, 0.00291692/step Wall: 7309.46, 0.00291692/step, 2.0104 hours remaining, 207.542969 MB of memory in use. ENERGY: 2518800 720.7112 2079.8217 1951.4808 137.8022 -206197.7577 17955.0587 0.0000 0.0000 34553.6272 -148799.2560 301.7654 -183352.8832 -148697.0851 300.1110 116.0412 152.3284 557281.9109 2.4827 2.5465 PRESSURE: 2519000 -156.016 -171.947 23.4806 -171.947 -38.0734 230.886 23.4799 230.884 -195.885 GPRESSURE: 2519000 -143.882 -150.696 25.2944 -170.796 -24.9491 271.366 17.3495 196.179 -123.93 PRESSAVG: 2519000 24.9318 32.9381 -24.8803 32.9381 51.4081 -14.8615 -24.8803 -14.8615 -56.7447 GPRESSAVG: 2519000 24.6962 33.8165 -25.4383 34.389 51.1385 -15.3103 -24.0536 -16.9848 -56.5956 TIMING: 2519000 CPU: 7310.04, 0.00291332/step Wall: 7310.04, 0.00291332/step, 2.00776 hours remaining, 207.542969 MB of memory in use. ENERGY: 2519000 740.2859 2117.8682 1949.5817 119.1916 -205995.7269 17684.0791 0.0000 0.0000 34514.4081 -148870.3123 301.4229 -183384.7204 -148777.3492 300.5068 -129.9914 -97.5871 558373.2926 6.5317 6.4130 PRESSURE: 2519200 -176.505 -103.19 4.13079 -103.189 -154.467 63.5752 4.13258 63.5758 -23.2611 GPRESSURE: 2519200 -121.615 -141.317 -21.1274 -45.5459 -163.312 66.8742 -73.7743 73.6034 21.2715 PRESSAVG: 2519200 -29.6285 57.0634 -0.181229 57.0634 -27.5149 15.8756 -0.181264 15.8756 34.7746 GPRESSAVG: 2519200 -30.213 56.8637 0.898783 56.2852 -26.3608 17.4098 -1.01891 17.1031 33.8804 TIMING: 2519200 CPU: 7310.63, 0.00290221/step Wall: 7310.63, 0.00290221/step, 1.99995 hours remaining, 207.542969 MB of memory in use. ENERGY: 2519200 698.0181 2135.1666 1976.3282 119.7839 -205952.0449 17600.9623 0.0000 0.0000 34420.9656 -149000.8201 300.6069 -183421.7857 -148899.1421 300.2215 -118.0777 -87.8851 557405.6374 -7.4563 -7.5644 PRESSURE: 2519400 0.561977 -2.4647 76.6629 -2.46414 167.934 -150.721 76.6619 -150.722 -207.004 GPRESSURE: 2519400 70.471 -19.5999 69.4458 -5.66022 165.72 -214.017 88.9398 -122.265 -179.677 PRESSAVG: 2519400 21.8298 -21.9125 73.7389 -21.9126 18.7193 -33.808 73.7389 -33.8079 -19.2194 GPRESSAVG: 2519400 22.5136 -19.9916 72.3644 -23.3629 18.1842 -34.401 74.1042 -34.7083 -19.1265 TIMING: 2519400 CPU: 7311.2, 0.00288637/step Wall: 7311.2, 0.00288637/step, 1.98887 hours remaining, 207.542969 MB of memory in use. ENERGY: 2519400 733.6649 2140.0155 1958.5999 119.6521 -205986.5033 17965.9244 0.0000 0.0000 34302.1827 -148766.4637 299.5695 -183068.6464 -148675.6519 299.8753 -12.8359 18.8382 557495.7043 7.1099 7.1904 PRESSURE: 2519600 -114.879 58.702 147.446 58.702 59.0622 -118.271 147.445 -118.272 -85.5577 GPRESSURE: 2519600 -81.4791 62.2712 124.379 51.3486 57.1598 -199.031 128.255 -42.1766 -18.4756 PRESSAVG: 2519600 -38.5625 36.6402 -14.0237 36.6402 17.9209 -0.813366 -14.0238 -0.81325 22.6545 GPRESSAVG: 2519600 -38.9659 35.2522 -13.7073 37.9883 17.1948 -1.85013 -14.0595 -1.15942 24.1889 TIMING: 2519600 CPU: 7311.78, 0.0028909/step Wall: 7311.78, 0.0028909/step, 1.99183 hours remaining, 207.542969 MB of memory in use. ENERGY: 2519600 783.9953 2164.5857 1983.3537 101.6453 -205737.5296 17689.6581 0.0000 0.0000 34179.0810 -148835.2106 298.4944 -183014.2916 -148741.3145 300.0743 -47.1248 -14.2650 557392.5931 0.6710 0.8059 PRESSURE: 2519800 -398.884 1.41249 0.324871 1.41196 -68.3661 -66.3867 0.325094 -66.3878 109.037 GPRESSURE: 2519800 -404.073 -24.7234 45.2217 43.2988 17.7689 -48.8209 -23.0813 -98.1187 127.559 PRESSAVG: 2519800 -34.111 11.4377 -34.8966 11.4378 2.04541 -6.4336 -34.8965 -6.43353 58.8944 GPRESSAVG: 2519800 -33.7645 12.4651 -33.6165 10.4768 2.13966 -5.82571 -35.772 -6.09518 58.2016 TIMING: 2519800 CPU: 7312.36, 0.00289237/step Wall: 7312.36, 0.00289237/step, 1.99268 hours remaining, 207.542969 MB of memory in use. ENERGY: 2519800 761.0204 2081.0362 1968.3562 112.9051 -205827.7261 17761.8540 0.0000 0.0000 34543.7484 -148598.8060 301.6791 -183142.5543 -148504.1489 300.5035 -119.4046 -86.2484 558909.5058 8.9429 8.8589 PRESSURE: 2520000 -107.388 99.3941 -1.10138 99.3945 253.653 45.6287 -1.10146 45.6294 152.697 GPRESSURE: 2520000 -75.2621 82.0788 34.0848 53.3501 252.461 51.0836 -41.1804 67.638 212.259 PRESSAVG: 2520000 -24.7465 25.2115 -26.8418 25.2115 -27.7438 -20.0062 -26.8417 -20.0061 43.0239 GPRESSAVG: 2520000 -23.4606 24.5578 -25.4854 25.2567 -27.3359 -18.882 -26.8251 -23.1545 40.8847 TIMING: 2520000 CPU: 7312.94, 0.00288517/step Wall: 7312.94, 0.00288517/step, 1.98756 hours remaining, 207.542969 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: 2520000 711.3188 2146.9673 1984.8909 114.3394 -205684.0544 17757.0171 0.0000 0.0000 34305.6015 -148663.9195 299.5994 -182969.5209 -148566.1073 300.3136 99.6540 129.8191 556955.2398 -3.1555 -3.3039 PRESSURE: 2520200 -75.1325 29.4505 -33.0089 29.4516 8.04478 -129.232 -33.0096 -129.234 -156.419 GPRESSURE: 2520200 24.7137 24.6358 -39.8576 61.7689 38.666 -102.781 28.012 -177.492 -192.307 PRESSAVG: 2520200 -5.13311 64.3542 -30.8559 64.3542 -32.0834 42.6117 -30.8559 42.6116 19.885 GPRESSAVG: 2520200 -6.1282 61.7885 -30.2893 65.4498 -32.0934 42.7842 -32.7349 43.6783 20.4404 TIMING: 2520200 CPU: 7313.51, 0.00288843/step Wall: 7313.51, 0.00288843/step, 1.98965 hours remaining, 207.542969 MB of memory in use. ENERGY: 2520200 715.8544 2095.9485 1924.4805 118.3697 -205178.6397 17411.5392 0.0000 0.0000 34293.7956 -148618.6517 299.4962 -182912.4473 -148515.9694 300.4502 -74.5021 -42.9758 557983.4301 -5.7772 -5.9271 LDB: ============= START OF LOAD BALANCING ============== 7316.98 LDB: ============== END OF LOAD BALANCING =============== 7316.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7316.98 LDB: ============= START OF LOAD BALANCING ============== 7317.27 LDB: Largest compute 4821 load 0.031284 is 26.6% of average load 0.117814 LDB: Average compute 0.001721 is 1.5% of average load 0.117814 LDB: TIME 7317.27 LOAD: AVG 0.117814 MAX 0.177986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.746 MB LDB: TIME 7317.27 LOAD: AVG 0.117814 MAX 0.177986 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.949 MB LDB: TIME 7317.27 LOAD: AVG 0.117814 MAX 0.177986 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7317.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7317.28 PRESSURE: 2520400 -50.6912 -27.4483 -30.056 -27.449 -57.2274 -50.9144 -30.0558 -50.9124 76.8553 GPRESSURE: 2520400 39.8284 20.78 -41.5221 -24.6572 -62.8263 -32.5984 19.1875 -143.519 79.8591 PRESSAVG: 2520400 -25.9713 -9.04426 -40.8012 -9.04431 -5.87354 -29.9755 -40.8013 -29.9754 20.0426 GPRESSAVG: 2520400 -26.3023 -8.88253 -43.3422 -8.67324 -5.83453 -28.5671 -36.8056 -29.0192 20.1575 TIMING: 2520400 CPU: 7314.1, 0.00294394/step Wall: 7314.1, 0.00294394/step, 2.02772 hours remaining, 206.902344 MB of memory in use. ENERGY: 2520400 748.1190 2037.6325 1938.7311 130.7473 -205453.5656 17678.3684 0.0000 0.0000 34308.1861 -148611.7813 299.6219 -182919.9673 -148508.8362 300.6204 -10.3544 18.9537 557839.4705 -3.9341 -3.9931 PRESSURE: 2520600 227.782 193.259 -3.47677 193.26 82.0676 57.7348 -3.47665 57.7344 -58.7707 GPRESSURE: 2520600 222.902 155.136 64.3954 230.529 125.121 -3.83235 -43.9524 6.62369 14.7366 PRESSAVG: 2520600 -46.9848 -6.05636 0.78473 -6.05634 35.7639 37.9102 0.78475 37.9101 -18.5032 GPRESSAVG: 2520600 -47.0704 -4.33861 1.76026 -7.32029 35.8536 37.7218 -2.60916 37.5609 -18.0599 TIMING: 2520600 CPU: 7314.68, 0.00288622/step Wall: 7314.68, 0.00288622/step, 1.9878 hours remaining, 207.101562 MB of memory in use. ENERGY: 2520600 749.4899 2081.3334 1955.2806 119.3345 -205994.8448 17873.9815 0.0000 0.0000 34335.1418 -148880.2830 299.8573 -183215.4249 -148786.1034 300.3374 83.6928 120.9198 556273.1459 -9.9080 -9.7589 PRESSURE: 2520800 -151.121 44.8177 -17.9375 44.8175 -30.4489 -97.7285 -17.9371 -97.7289 -494.809 GPRESSURE: 2520800 -155.036 17.6526 33.1324 -82.9757 34.093 -135.458 -63.9802 -102.027 -442.372 PRESSAVG: 2520800 22.4647 7.57673 -17.8199 7.57667 14.8915 -13.1572 -17.8198 -13.1571 2.5449 GPRESSAVG: 2520800 22.8439 7.02684 -18.8523 7.94769 14.7359 -14.3518 -15.6124 -14.6031 2.11059 TIMING: 2520800 CPU: 7315.26, 0.00288341/step Wall: 7315.26, 0.00288341/step, 1.98571 hours remaining, 207.101562 MB of memory in use. ENERGY: 2520800 774.3013 2128.1419 1931.3567 103.9899 -205375.6733 17256.2318 0.0000 0.0000 34292.7914 -148888.8603 299.4875 -183181.6517 -148791.9221 300.4255 -225.4595 -187.7715 558483.5058 13.3004 13.2301 PRESSURE: 2521000 9.36466 -66.4711 -40.2915 -66.4709 28.8024 95.5321 -40.2905 95.5302 -203.306 GPRESSURE: 2521000 -51.596 -71.7853 1.20938 -62.9501 55.5805 68.695 -73.4968 -29.5465 -79.1259 PRESSAVG: 2521000 -49.8976 7.64657 -38.2348 7.64659 115.078 20.3026 -38.2348 20.3027 -11.5526 GPRESSAVG: 2521000 -51.3863 9.70919 -39.9112 6.4453 114.76 20.452 -38.4214 20.5763 -9.98811 TIMING: 2521000 CPU: 7315.83, 0.00289189/step Wall: 7315.83, 0.00289189/step, 1.99139 hours remaining, 207.101562 MB of memory in use. ENERGY: 2521000 738.7012 2143.7167 1969.5958 103.3545 -205748.9244 17663.2261 0.0000 0.0000 34285.7995 -148844.5305 299.4264 -183130.3301 -148753.3134 300.7767 -55.0464 -25.0471 559185.7941 17.8759 17.7952 PRESSURE: 2521200 22.1606 157.555 43.5423 157.555 74.6793 -72.4029 43.5415 -72.4029 229.536 GPRESSURE: 2521200 94.1381 165.159 -14.6911 132.932 115.712 -165.571 91.2129 -89.3098 212.848 PRESSAVG: 2521200 6.43972 -6.96839 0.211446 -6.96835 3.26714 -5.70158 0.211558 -5.70165 -42.1701 GPRESSAVG: 2521200 7.93105 -6.68886 2.23145 -8.18876 4.01055 -7.34424 -0.324997 -3.32359 -44.111 TIMING: 2521200 CPU: 7316.42, 0.00291389/step Wall: 7316.42, 0.00291389/step, 2.00638 hours remaining, 207.101562 MB of memory in use. ENERGY: 2521200 808.8235 2087.3892 1974.8161 106.1643 -206261.8411 18032.9249 0.0000 0.0000 34520.8242 -148730.8989 301.4789 -183251.7231 -148644.1714 300.1183 108.7919 140.8993 557543.1301 -10.8211 -10.7231 PRESSURE: 2521400 -25.0459 60.0717 -114.156 60.0719 232.777 126.329 -114.155 126.331 250.145 GPRESSURE: 2521400 33.49 11.9942 -59.2845 148.016 286.847 69.0615 -109.339 189.818 253.825 PRESSAVG: 2521400 50.2889 -3.88646 24.4816 -3.88639 -3.77389 -24.4246 24.4816 -24.4246 -34.7123 GPRESSAVG: 2521400 50.3615 -4.81697 23.4505 -2.36014 -3.93497 -22.3452 25.4002 -26.5254 -34.8359 TIMING: 2521400 CPU: 7317, 0.00290206/step Wall: 7317, 0.00290206/step, 1.99807 hours remaining, 207.101562 MB of memory in use. ENERGY: 2521400 773.7260 2112.9902 1959.7727 109.8133 -206159.2672 18081.8036 0.0000 0.0000 34389.7633 -148731.3980 300.3344 -183121.1613 -148641.2667 300.1716 152.6252 191.3874 558288.3662 3.9342 3.8635 PRESSURE: 2521600 279.382 41.2147 -80.2981 41.2138 262.058 78.8912 -80.2971 78.8911 105.75 GPRESSURE: 2521600 315.288 -60.916 26.9282 76.1766 306.831 51.7896 -130.697 25.3868 111.966 PRESSAVG: 2521600 55.6173 19.9201 -15.0435 19.9203 -8.57878 30.0271 -15.0434 30.0272 -40.5217 GPRESSAVG: 2521600 54.7009 19.3125 -15.7007 21.1695 -8.95207 30.156 -15.1655 33.1719 -39.0305 TIMING: 2521600 CPU: 7317.58, 0.00291075/step Wall: 7317.58, 0.00291075/step, 2.00389 hours remaining, 207.101562 MB of memory in use. ENERGY: 2521600 734.4054 2074.3128 1955.1645 110.7024 -205911.4499 18070.8750 0.0000 0.0000 34199.7836 -148766.2062 298.6752 -182965.9898 -148678.4176 299.8769 215.7299 244.6951 558068.8877 2.1723 2.2394 PRESSURE: 2521800 57.7847 115.041 -87.4877 115.042 -8.93506 161.772 -87.4867 161.77 138.491 GPRESSURE: 2521800 97.7135 63.7384 68.9609 103.336 54.2149 144.705 -83.4661 101.992 143.732 PRESSAVG: 2521800 37.9507 -20.8201 -13.0136 -20.8201 33.4789 66.9321 -13.0135 66.9321 -38.1811 GPRESSAVG: 2521800 38.5549 -20.1405 -11.0399 -21.7484 34.0092 66.6378 -12.9104 65.0447 -39.1592 TIMING: 2521800 CPU: 7318.16, 0.00291353/step Wall: 7318.16, 0.00291353/step, 2.00564 hours remaining, 207.101562 MB of memory in use. ENERGY: 2521800 754.9704 2061.9521 1961.7387 105.9695 -206118.1668 18136.1882 0.0000 0.0000 34269.0253 -148828.3224 299.2799 -183097.3478 -148736.4720 299.8435 62.4468 98.5535 558525.8067 11.0829 11.1350 PRESSURE: 2522000 -239.568 32.908 45.228 32.9076 -71.6575 -45.1312 45.2274 -45.131 -266.621 GPRESSURE: 2522000 -253.737 19.7996 12.3406 14.6379 -0.69531 2.36751 99.8734 -80.3493 -219.122 PRESSAVG: 2522000 -19.0042 16.7268 -1.59498 16.7267 77.8994 9.52051 -1.59498 9.52054 -6.75909 GPRESSAVG: 2522000 -19.2713 15.7665 -2.7808 16.633 78.2187 10.7238 -2.15519 9.18543 -6.60717 TIMING: 2522000 CPU: 7318.75, 0.00291071/step Wall: 7318.75, 0.00291071/step, 2.00354 hours remaining, 207.363281 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: 2522000 736.1156 2097.1314 1972.6097 123.6937 -205508.8667 17554.1724 0.0000 0.0000 34285.0985 -148740.0453 299.4203 -183025.1438 -148641.3084 299.0474 -192.6153 -157.8516 560012.4958 17.3787 17.4467 PRESSURE: 2522200 -75.6294 80.1681 -91.0723 80.1675 -168.214 -39.5639 -91.0723 -39.5634 210.431 GPRESSURE: 2522200 -39.8649 18.987 -123.281 36.7975 -105.115 10.0525 -98.5325 -56.6449 203.168 PRESSAVG: 2522200 -32.5339 -58.6526 2.35065 -58.6525 110.874 -38.2242 2.35063 -38.2242 -60.661 GPRESSAVG: 2522200 -32.7002 -56.9876 1.69322 -59.9694 110.946 -40.928 2.62065 -36.2604 -60.1977 TIMING: 2522200 CPU: 7319.33, 0.00291262/step Wall: 7319.33, 0.00291262/step, 2.00469 hours remaining, 207.363281 MB of memory in use. ENERGY: 2522200 751.2398 2117.2872 1973.5492 111.6825 -205767.3358 17815.2182 0.0000 0.0000 34290.4420 -148707.9168 299.4670 -182998.3588 -148615.9193 299.4843 -11.1375 19.3959 558793.9814 5.8931 6.0160 PRESSURE: 2522400 -81.687 43.8927 -3.6274 43.892 58.9971 -58.5621 -3.6276 -58.5626 -154.606 GPRESSURE: 2522400 -78.619 -41.0729 -30.892 115.438 94.006 4.26773 44.1194 -18.7926 -101.762 PRESSAVG: 2522400 -27.4647 11.4355 17.7052 11.4355 -23.9088 -37.5486 17.7052 -37.5487 -11.2818 GPRESSAVG: 2522400 -26.3274 10.3061 18.6086 12.3686 -24.7522 -34.9245 17.2499 -40.2863 -11.7278 TIMING: 2522400 CPU: 7319.91, 0.0028893/step Wall: 7319.91, 0.0028893/step, 1.98848 hours remaining, 207.363281 MB of memory in use. ENERGY: 2522400 761.3824 2101.9871 1962.3963 120.8412 -205461.6137 17549.9604 0.0000 0.0000 34301.7516 -148663.2946 299.5657 -182965.0463 -148570.7650 300.3322 -59.0987 -28.7916 558037.2909 -20.8851 -20.9358 PRESSURE: 2522600 -126.304 -182.083 65.1079 -182.084 -75.399 51.8608 65.1081 51.8587 -144.594 GPRESSURE: 2522600 -86.1781 -213.769 50.4312 -185.361 -28.1433 -4.88041 38.6046 0.351865 -120.916 PRESSAVG: 2522600 -47.0872 -3.20878 14.6252 -3.20882 33.6853 -53.9101 14.6252 -53.9102 0.518005 GPRESSAVG: 2522600 -48.8433 -3.88107 13.6983 -3.30957 34.1565 -54.8905 15.371 -55.0614 1.79651 TIMING: 2522600 CPU: 7320.48, 0.00289293/step Wall: 7320.48, 0.00289293/step, 1.99082 hours remaining, 207.363281 MB of memory in use. ENERGY: 2522600 762.5720 2084.6243 1957.1297 117.5306 -205807.7636 17551.4203 0.0000 0.0000 34504.4653 -148830.0213 301.3361 -183334.4867 -148734.2067 300.0709 -115.4322 -78.4126 558698.9249 -4.2946 -4.2968 PRESSURE: 2522800 -46.3228 50.8711 -105.933 50.87 53.6923 -36.1729 -105.934 -36.1724 24.9842 GPRESSURE: 2522800 -56.6818 39.3864 -142.491 60.6918 88.597 -60.1093 -126.884 11.9786 86.6012 PRESSAVG: 2522800 6.37249 14.1494 -34.1815 14.1495 -14.324 -10.2747 -34.1814 -10.2747 35.8986 GPRESSAVG: 2522800 7.66366 14.9906 -33.6085 14.4411 -15.5158 -8.53907 -35.2572 -10.3484 35.5541 TIMING: 2522800 CPU: 7321.06, 0.00289678/step Wall: 7321.06, 0.00289678/step, 1.99331 hours remaining, 207.363281 MB of memory in use. ENERGY: 2522800 772.1358 2112.9281 1959.5258 117.4346 -205698.8333 17861.6489 0.0000 0.0000 34182.4308 -148692.7293 298.5237 -182875.1602 -148593.0510 300.1741 10.7846 39.5054 558583.7921 9.3157 9.2340 PRESSURE: 2523000 -221.796 95.7215 -131.687 95.7211 -86.5537 -28.7167 -131.687 -28.7175 13.0483 GPRESSURE: 2523000 -186.884 66.0632 -22.8554 173.011 -72.4779 -55.0689 -172.458 99.285 57.6908 PRESSAVG: 2523000 8.47127 24.0014 -54.8694 24.0013 -95.5583 26.4767 -54.8694 26.4766 70.0322 GPRESSAVG: 2523000 8.0572 21.2949 -52.8272 26.8519 -95.0648 26.1517 -56.155 27.7391 69.8743 TIMING: 2523000 CPU: 7321.64, 0.00289447/step Wall: 7321.64, 0.00289447/step, 1.99155 hours remaining, 207.363281 MB of memory in use. ENERGY: 2523000 704.7153 2112.6450 1940.6855 117.4661 -205487.2023 17601.6909 0.0000 0.0000 34352.9724 -148657.0271 300.0131 -183009.9995 -148560.5023 300.4804 -98.4338 -67.2237 559808.9732 -5.6850 -5.7111 PRESSURE: 2523200 178.125 44.4698 -13.1045 44.4704 310.193 69.4932 -13.1043 69.4913 105.142 GPRESSURE: 2523200 168.559 48.2993 0.0240594 55.9396 389.837 79.4944 11.9134 53.4541 139.289 PRESSAVG: 2523200 35.2359 25.6096 -36.776 25.6096 -3.90147 39.8761 -36.7759 39.8762 -14.1051 GPRESSAVG: 2523200 34.216 26.8136 -39.1673 22.3701 -2.13438 40.523 -33.6473 39.4238 -14.5109 TIMING: 2523200 CPU: 7322.22, 0.00291118/step Wall: 7322.22, 0.00291118/step, 2.00289 hours remaining, 207.363281 MB of memory in use. ENERGY: 2523200 694.0379 2044.6319 1945.4170 117.8434 -205868.3598 17916.0013 0.0000 0.0000 34365.2650 -148785.1633 300.1204 -183150.4283 -148692.3984 299.9716 197.8198 232.5617 558401.2830 5.7431 5.8569 PRESSURE: 2523400 87.1697 -76.4868 -175.881 -76.4864 -220.742 -11.475 -175.881 -11.4748 -146.602 GPRESSURE: 2523400 95.0876 -114.884 -59.583 -83.4117 -183.61 7.34578 -180.032 -38.6607 -85.8537 PRESSAVG: 2523400 -23.9912 18.0473 -26.167 18.0473 58.5373 -22.6703 -26.167 -22.6704 -59.2058 GPRESSAVG: 2523400 -22.6035 17.7963 -25.5833 18.1203 58.0122 -24.4612 -26.0466 -21.2951 -59.8363 TIMING: 2523400 CPU: 7322.81, 0.00291249/step Wall: 7322.81, 0.00291249/step, 2.00363 hours remaining, 207.394531 MB of memory in use. ENERGY: 2523400 756.9137 2087.8629 1976.6686 124.5944 -205964.7152 17923.6818 0.0000 0.0000 34105.1425 -148989.8512 297.8487 -183094.9937 -148890.4020 299.5514 -93.3913 -58.1254 559508.9134 -8.2199 -8.1425 PRESSURE: 2523600 -22.8907 19.8172 33.4531 19.8158 252.515 164.221 33.4537 164.219 128.388 GPRESSURE: 2523600 -26.6582 66.9736 14.7861 60.3839 280.175 155.705 10.8421 94.2439 200.136 PRESSAVG: 2523600 31.4002 31.7094 22.2735 31.7094 7.73746 -49.0478 22.2735 -49.048 11.7598 GPRESSAVG: 2523600 31.3869 30.8314 21.3935 32.8004 7.07218 -47.5657 21.7001 -52.1321 12.4272 TIMING: 2523600 CPU: 7323.39, 0.00289357/step Wall: 7323.39, 0.00289357/step, 1.99045 hours remaining, 207.394531 MB of memory in use. ENERGY: 2523600 743.1572 2074.6447 1947.3814 114.2461 -206113.4544 17891.2382 0.0000 0.0000 34398.4175 -148944.3693 300.4099 -183342.7868 -148856.2024 299.5753 119.3375 151.2175 556650.3243 16.9658 16.9621 PRESSURE: 2523800 -13.1907 -63.8953 198.683 -63.8944 -202.998 -55.318 198.684 -55.3192 -360.553 GPRESSURE: 2523800 -30.3204 -123.161 202.428 -52.8937 -175.957 -138.223 176.088 56.2141 -254.851 PRESSAVG: 2523800 53.9279 -3.28617 -34.8838 -3.2861 -5.29335 15.492 -34.8838 15.492 -21.7658 GPRESSAVG: 2523800 52.7501 -3.07624 -33.7869 -2.89938 -4.72755 14.2439 -34.676 17.0236 -20.7599 TIMING: 2523800 CPU: 7323.97, 0.0029155/step Wall: 7323.97, 0.0029155/step, 2.00538 hours remaining, 207.394531 MB of memory in use. ENERGY: 2523800 736.2187 2113.9659 1940.1463 121.7839 -205830.0879 17444.2018 0.0000 0.0000 34526.3226 -148947.4487 301.5270 -183473.7713 -148850.7779 299.6758 -192.2471 -153.7096 558436.6948 8.9563 9.0876 PRESSURE: 2524000 52.9874 6.9039 197.302 6.90494 20.1699 3.24722 197.302 3.2473 -157.614 GPRESSURE: 2524000 77.5666 72.5213 239.361 -121.24 95.1987 -26.504 167.729 86.697 -154.922 PRESSAVG: 2524000 31.2636 -13.9881 9.75557 -13.9881 -10.7104 -15.5487 9.75556 -15.5488 5.68397 GPRESSAVG: 2524000 31.0916 -14.3357 8.48661 -14.0276 -11.3514 -15.9507 9.68743 -14.7706 6.00107 TIMING: 2524000 CPU: 7324.55, 0.00288607/step Wall: 7324.55, 0.00288607/step, 1.98497 hours remaining, 207.394531 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: 2524000 703.7240 2086.6328 1976.3280 111.2405 -206045.2015 17774.3308 0.0000 0.0000 34522.0033 -148870.9422 301.4892 -183392.9454 -148774.2620 300.3587 -28.1523 5.9478 557538.3149 8.7457 8.5804 PRESSURE: 2524200 -12.9177 146.916 100.228 146.914 -298.988 -1.59869 100.227 -1.60046 -71.4105 GPRESSURE: 2524200 4.14151 144.483 107.412 100.535 -268.46 -5.87317 107.9 -45.927 -27.005 PRESSAVG: 2524200 67.234 1.77109 -32.5059 1.77109 -15.8766 -54.1163 -32.5059 -54.1165 -29.1874 GPRESSAVG: 2524200 67.0145 0.511282 -30.9499 1.45199 -14.3419 -52.0954 -31.977 -55.0226 -30.8064 TIMING: 2524200 CPU: 7325.12, 0.00289435/step Wall: 7325.12, 0.00289435/step, 1.99051 hours remaining, 207.394531 MB of memory in use. ENERGY: 2524200 755.3860 2101.0548 1946.9868 118.5994 -205372.9339 17490.5584 0.0000 0.0000 34228.8998 -148731.4488 298.9295 -182960.3486 -148637.1493 300.4720 -127.7721 -97.1078 557638.0078 7.3900 7.2887 LDB: ============= START OF LOAD BALANCING ============== 7328.59 LDB: ============== END OF LOAD BALANCING =============== 7328.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7328.59 LDB: ============= START OF LOAD BALANCING ============== 7328.88 LDB: Largest compute 4821 load 0.031517 is 26.8% of average load 0.117693 LDB: Average compute 0.001725 is 1.5% of average load 0.117693 LDB: TIME 7328.88 LOAD: AVG 0.117693 MAX 0.177971 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.68 MB LDB: TIME 7328.88 LOAD: AVG 0.117693 MAX 0.177971 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 7328.88 LOAD: AVG 0.117693 MAX 0.177971 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7328.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7328.89 PRESSURE: 2524400 -126.919 72.0403 -87.6876 72.0417 -97.1322 172.641 -87.6875 172.639 -17.5999 GPRESSURE: 2524400 -87.1255 74.9497 -35.1474 31.7372 -92.7972 269.223 -107.038 108.061 49.7038 PRESSAVG: 2524400 1.89637 -18.8122 -10.8637 -18.8121 -31.8263 -51.2772 -10.8638 -51.2771 3.82669 GPRESSAVG: 2524400 3.05374 -15.1592 -10.9104 -20.0649 -33.5974 -53.9655 -11.7457 -51.1697 4.21341 TIMING: 2524400 CPU: 7325.72, 0.00295156/step Wall: 7325.72, 0.00295156/step, 2.02969 hours remaining, 206.648438 MB of memory in use. ENERGY: 2524400 771.8954 2068.9358 1929.2153 130.2380 -205967.3573 17620.1942 0.0000 0.0000 34663.9966 -148782.8820 302.7293 -183446.8785 -148691.3127 299.8379 -80.5503 -43.4063 557623.4236 -8.7011 -8.7767 PRESSURE: 2524600 135.749 -152.679 -41.5603 -152.678 -39.899 -50.6751 -41.56 -50.6757 169.277 GPRESSURE: 2524600 125.44 -124.45 -110.389 -111.213 21.5703 -70.8229 -8.33573 -27.14 214.321 PRESSAVG: 2524600 48.7901 -52.6015 9.69486 -52.6016 -11.1916 18.1221 9.69487 18.1221 8.73716 GPRESSAVG: 2524600 46.5429 -54.8007 9.34024 -50.6215 -9.5281 17.943 10.3888 18.6411 9.71416 TIMING: 2524600 CPU: 7326.29, 0.00289098/step Wall: 7326.29, 0.00289098/step, 1.98787 hours remaining, 206.648438 MB of memory in use. ENERGY: 2524600 739.0646 2074.7255 1942.5472 118.0379 -206065.8211 17720.4109 0.0000 0.0000 34513.7667 -148957.2682 301.4173 -183471.0349 -148857.9535 299.3269 88.3759 120.4438 555734.7013 15.4452 15.5763 PRESSURE: 2524800 130.318 -8.03556 -108.244 -8.03602 117.316 -0.205562 -108.245 -0.205212 -32.0028 GPRESSURE: 2524800 224.745 45.2393 -125.328 -54.4606 102.129 -10.3377 -89.0132 -14.2914 -3.63031 PRESSAVG: 2524800 -15.2679 -39.7369 -46.0467 -39.7369 -7.35242 4.3673 -46.0467 4.36721 12.5695 GPRESSAVG: 2524800 -14.2468 -36.6693 -46.5057 -42.162 -7.01155 6.059 -45.683 4.82008 11.0507 TIMING: 2524800 CPU: 7326.87, 0.00288885/step Wall: 7326.87, 0.00288885/step, 1.98625 hours remaining, 206.648438 MB of memory in use. ENERGY: 2524800 739.6322 2077.5607 1932.5811 105.8332 -205963.8006 17883.4800 0.0000 0.0000 34187.8049 -149036.9085 298.5706 -183224.7135 -148950.7724 299.3678 71.8769 107.7480 556976.0122 -3.3503 -3.4026 PRESSURE: 2525000 25.7836 -59.539 -199.046 -59.5381 -140.711 -9.05793 -199.046 -9.05966 77.2549 GPRESSURE: 2525000 42.2161 -73.8105 -127.43 -6.29218 -39.285 142.992 -222.724 -105.027 60.6914 PRESSAVG: 2525000 -31.9804 30.7946 -31.2667 30.7946 -73.8973 10.0475 -31.2666 10.0473 39.6906 GPRESSAVG: 2525000 -32.6142 28.0585 -30.7678 32.8925 -74.0003 10.7527 -31.121 8.3965 41.0006 TIMING: 2525000 CPU: 7327.45, 0.00289753/step Wall: 7327.45, 0.00289753/step, 1.99205 hours remaining, 206.648438 MB of memory in use. ENERGY: 2525000 740.2450 2191.7202 1958.2520 109.8211 -206204.6196 17978.2586 0.0000 0.0000 34358.6025 -148867.7202 300.0622 -183226.3227 -148773.5313 299.6337 -12.5576 21.2075 558941.3024 -22.0624 -21.8713 PRESSURE: 2525200 298.47 17.9257 -56.5804 17.9236 43.7026 -77.7828 -56.5808 -77.782 129.254 GPRESSURE: 2525200 308.303 -73.7652 -83.8134 15.0526 111.627 -97.3217 -82.9133 -114.328 159.553 PRESSAVG: 2525200 -107.973 -15.1252 1.90387 -15.1253 23.5993 -8.30631 1.904 -8.30628 54.4535 GPRESSAVG: 2525200 -108.635 -16.5068 3.33469 -14.0393 24.7209 -9.03838 0.694601 -8.08303 54.3975 TIMING: 2525200 CPU: 7328.03, 0.00290562/step Wall: 7328.03, 0.00290562/step, 1.99745 hours remaining, 206.648438 MB of memory in use. ENERGY: 2525200 756.2582 2098.1085 1962.3816 111.4676 -206399.5674 18039.8437 0.0000 0.0000 34443.8301 -148987.6775 300.8065 -183431.5076 -148890.9403 300.0890 157.1424 193.1610 557659.7050 -9.9734 -9.8389 PRESSURE: 2525400 -30.2787 -17.2179 -64.6053 -17.2166 103.966 -1.76068 -64.6062 -1.76228 -77.2896 GPRESSURE: 2525400 58.4705 -7.58037 -129.894 51.597 123.103 -47.3079 -49.0444 -4.37428 -78.5001 PRESSAVG: 2525400 18.2532 -20.9764 38.9637 -20.9763 -39.4005 -13.2936 38.9636 -13.2937 41.6767 GPRESSAVG: 2525400 18.8829 -19.7189 35.7659 -21.6546 -41.0109 -15.3229 42.1087 -12.2785 42.4645 TIMING: 2525400 CPU: 7328.61, 0.00289668/step Wall: 7328.61, 0.00289668/step, 1.99115 hours remaining, 206.648438 MB of memory in use. ENERGY: 2525400 728.2347 2094.3102 1959.3185 109.9109 -206449.3983 17974.9649 0.0000 0.0000 34465.3035 -149117.3557 300.9941 -183582.6592 -149013.1414 299.6977 -1.2007 34.3578 557579.0732 6.8431 6.7789 PRESSURE: 2525600 165.388 -87.7893 -152.915 -87.7878 -55.8487 54.4691 -152.916 54.4688 -66.7575 GPRESSURE: 2525600 193.246 -75.6437 -226.434 -111.718 -81.1764 -0.329579 -139.853 47.573 23.6875 PRESSAVG: 2525600 27.6032 -59.214 4.63479 -59.2139 -3.26822 27.4821 4.6347 27.4822 -12.4618 GPRESSAVG: 2525600 27.6362 -56.8262 7.43091 -61.6061 -4.06361 28.3219 2.35054 26.953 -11.9383 TIMING: 2525600 CPU: 7329.19, 0.00288342/step Wall: 7329.19, 0.00288342/step, 1.98187 hours remaining, 206.648438 MB of memory in use. ENERGY: 2525600 725.2703 2110.1969 1976.4466 130.0356 -206374.4790 17954.6410 0.0000 0.0000 34308.0977 -149169.7908 299.6212 -183477.8886 -149064.9774 299.1377 14.2608 45.2523 558538.5308 3.9577 3.8781 PRESSURE: 2525800 -178.047 15.8843 117.762 15.8845 20.2903 99.5659 117.762 99.567 -193.205 GPRESSURE: 2525800 -151.346 11.3695 148.397 20.805 39.6236 -5.36774 112.359 132.187 -139.249 PRESSAVG: 2525800 -9.42731 24.2759 2.70995 24.2759 -13.4781 -8.79726 2.70991 -8.79727 9.67232 GPRESSAVG: 2525800 -9.98306 21.957 1.37404 24.6468 -12.2614 -9.02393 1.43097 -8.78834 9.22956 TIMING: 2525800 CPU: 7329.77, 0.00290267/step Wall: 7329.77, 0.00290267/step, 1.99494 hours remaining, 206.648438 MB of memory in use. ENERGY: 2525800 774.4152 2102.0218 1976.5340 107.9527 -206072.0478 17766.5982 0.0000 0.0000 34326.3373 -149018.1887 299.7804 -183344.5259 -148922.4202 299.8868 -116.9873 -83.6569 558671.8524 -4.4110 -4.3383 PRESSURE: 2526000 -53.4374 9.79411 -2.96496 9.79228 -184.372 -123.331 -2.96407 -123.332 -13.3359 GPRESSURE: 2526000 -64.9215 -13.6925 -110.55 16.6619 -48.0255 -94.091 -4.54264 -132.364 -33.9345 PRESSAVG: 2526000 -76.4671 -29.3273 4.94963 -29.3272 126.796 -34.7133 4.9496 -34.7134 -60.9552 GPRESSAVG: 2526000 -75.9517 -28.4761 6.58717 -31.1912 127.766 -34.4986 5.6177 -33.7197 -62.6213 TIMING: 2526000 CPU: 7330.35, 0.00290756/step Wall: 7330.35, 0.00290756/step, 1.99814 hours remaining, 206.648438 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: 2526000 785.7216 2127.3971 1958.4079 126.6040 -206096.0112 17825.7295 0.0000 0.0000 34386.4282 -148885.7228 300.3052 -183272.1510 -148787.0059 300.2300 -83.7151 -48.9605 559322.6862 -3.5420 -3.6023 PRESSURE: 2526200 8.02125 57.8991 -81.4204 57.8995 -222.475 -3.32837 -81.42 -3.32933 176.263 GPRESSURE: 2526200 44.9459 -25.303 7.59296 67.6308 -186.594 25.506 -74.984 9.31599 214.04 PRESSAVG: 2526200 -17.5321 6.8465 0.912078 6.8465 54.3124 -19.3198 0.912123 -19.3198 4.0732 GPRESSAVG: 2526200 -19.1545 8.15688 0.84783 6.68055 54.1979 -17.7536 -0.787314 -21.5757 5.76772 TIMING: 2526200 CPU: 7330.93, 0.00290085/step Wall: 7330.93, 0.00290085/step, 1.99336 hours remaining, 206.648438 MB of memory in use. ENERGY: 2526200 757.0254 2119.8670 1953.9486 122.5840 -206157.7637 17869.3609 0.0000 0.0000 34387.2482 -148947.7297 300.3124 -183334.9778 -148857.8030 299.8276 -12.7302 24.1307 557642.6106 13.6178 13.6037 PRESSURE: 2526400 -420.827 68.5128 -85.308 68.5131 20.3039 126.269 -85.3089 126.268 -273.805 GPRESSURE: 2526400 -402.144 48.5037 -153.324 77.5231 55.2111 161.744 -75.2678 148.068 -235.014 PRESSAVG: 2526400 -39.2144 9.7376 6.42772 9.73755 -4.58468 32.8924 6.42769 32.8924 11.8573 GPRESSAVG: 2526400 -39.0143 10.168 6.38786 11.6022 -5.62627 32.0319 8.09544 34.7927 12.4663 TIMING: 2526400 CPU: 7331.5, 0.00287359/step Wall: 7331.5, 0.00287359/step, 1.97448 hours remaining, 206.648438 MB of memory in use. ENERGY: 2526400 751.4338 2138.5241 1937.3806 105.8420 -205707.4353 17524.3034 0.0000 0.0000 34373.9239 -148876.0274 300.1960 -183249.9513 -148776.9807 299.8219 -224.7763 -193.9822 558539.9779 -10.6473 -10.7248 PRESSURE: 2526600 -191.912 106.612 -36.1233 106.612 -117.231 326.869 -36.123 326.869 -115.639 GPRESSURE: 2526600 -102.355 56.8083 -95.8767 3.60202 -72.259 345.523 -15.6173 304.228 -151.904 PRESSAVG: 2526600 -25.7176 -7.99975 52.0519 -7.9997 54.5331 73.4361 52.0518 73.436 -50.7384 GPRESSAVG: 2526600 -25.1227 -9.22467 51.1383 -9.22597 54.3035 72.0728 50.4611 73.808 -50.884 TIMING: 2526600 CPU: 7332.08, 0.00288891/step Wall: 7332.08, 0.00288891/step, 1.98484 hours remaining, 206.648438 MB of memory in use. ENERGY: 2526600 732.9511 2108.6910 1976.2150 117.8743 -205923.0925 17654.6560 0.0000 0.0000 34394.0504 -148938.6546 300.3718 -183332.7050 -148841.2243 300.0922 -141.5938 -108.8392 559276.9327 -7.3076 -7.2344 PRESSURE: 2526800 -26.3998 -52.8158 12.4945 -52.8149 72.2175 40.2101 12.4953 40.2103 78.1123 GPRESSURE: 2526800 -18.9776 -104.645 -3.35685 -8.05835 150.979 48.4382 24.0602 11.9616 90.2586 PRESSAVG: 2526800 1.09936 24.0588 -25.4691 24.0588 -1.25861 44.9197 -25.469 44.9197 25.559 GPRESSAVG: 2526800 2.0333 24.0319 -26.1841 25.8437 -0.260702 45.684 -24.0117 44.4389 23.8467 TIMING: 2526800 CPU: 7332.66, 0.00288441/step Wall: 7332.66, 0.00288441/step, 1.98159 hours remaining, 206.648438 MB of memory in use. ENERGY: 2526800 696.3698 2164.4330 1946.3700 119.5996 -206035.4461 17751.3949 0.0000 0.0000 34294.4888 -149062.7901 299.5023 -183357.2789 -148972.0906 299.2679 41.3100 74.0865 558401.0479 8.4666 8.5398 PRESSURE: 2527000 18.1957 9.93279 -46.2104 9.93206 108.02 -63.1656 -46.2106 -63.1631 234.796 GPRESSURE: 2527000 103.892 -13.5969 -38.7458 65.8093 91.0805 -63.2707 -75.8667 36.0205 259.293 PRESSAVG: 2527000 -10.1722 -29.0438 -32.0975 -29.0438 47.8567 22.6667 -32.0976 22.6668 -17.667 GPRESSAVG: 2527000 -11.6353 -30.3124 -28.6885 -28.82 48.9221 22.9677 -32.7303 23.2784 -16.9585 TIMING: 2527000 CPU: 7333.24, 0.00290426/step Wall: 7333.24, 0.00290426/step, 1.99506 hours remaining, 206.648438 MB of memory in use. ENERGY: 2527000 750.5307 2057.7093 1951.4026 110.4485 -206167.8676 17998.0998 0.0000 0.0000 34312.8781 -148986.7986 299.6629 -183299.6766 -148895.8721 299.7675 120.3372 151.4218 558447.7335 6.6725 6.7761 PRESSURE: 2527200 -70.1889 45.9917 28.1899 45.9914 -46.1404 179.676 28.1899 179.677 -19.1642 GPRESSURE: 2527200 -28.5379 54.5137 41.9273 47.7385 5.10497 263.125 -54.3527 102.482 -29.4027 PRESSAVG: 2527200 27.4738 47.4338 -17.9816 47.4337 20.349 23.2756 -17.9816 23.2757 -70.4778 GPRESSAVG: 2527200 27.7575 48.1194 -20.5457 46.4471 20.0119 23.0313 -18.9275 22.1228 -70.9054 TIMING: 2527200 CPU: 7333.82, 0.00290576/step Wall: 7333.82, 0.00290576/step, 1.99594 hours remaining, 206.648438 MB of memory in use. ENERGY: 2527200 758.0362 2160.3178 1945.7880 104.0602 -205926.0166 17681.4020 0.0000 0.0000 34275.6829 -149000.7295 299.3381 -183276.4124 -148913.8586 299.2076 -45.1645 -17.6119 559047.0032 -7.5516 -7.7120 PRESSURE: 2527400 -161.88 -139.692 -77.0623 -139.694 53.8343 36.8285 -77.0607 36.8296 -18.0312 GPRESSURE: 2527400 -63.9656 -154.762 -84.7038 -23.2189 73.3911 -11.9955 -163.109 -29.9254 -30.2186 PRESSAVG: 2527400 18.3025 7.60712 32.7581 7.60714 2.91312 -15.8794 32.758 -15.8795 2.11123 GPRESSAVG: 2527400 17.9408 7.83652 32.285 9.14903 1.81612 -14.9566 33.4574 -14.9932 3.83653 TIMING: 2527400 CPU: 7334.4, 0.00287988/step Wall: 7334.4, 0.00287988/step, 1.978 hours remaining, 206.648438 MB of memory in use. ENERGY: 2527400 776.0119 2127.6064 1958.0397 109.3148 -206026.0932 17818.0867 0.0000 0.0000 34160.1310 -149076.9028 298.3289 -183237.0338 -148978.4751 300.0756 -42.0255 -6.9311 558887.8828 7.7756 7.8645 PRESSURE: 2527600 124.461 -2.29023 -25.0246 -2.2901 233.503 273.434 -25.0244 273.434 109.685 GPRESSURE: 2527600 134.814 32.3746 -4.60276 -38.1723 256.685 205.766 -18.7294 297.022 175.784 PRESSAVG: 2527600 -12.4757 -19.6609 23.7842 -19.661 17.0993 -70.5383 23.7842 -70.5383 33.5546 GPRESSAVG: 2527600 -11.4202 -20.9879 22.6418 -20.1714 17.6411 -70.1449 24.638 -71.2939 31.8571 TIMING: 2527600 CPU: 7334.97, 0.00287591/step Wall: 7334.97, 0.00287591/step, 1.97511 hours remaining, 206.718750 MB of memory in use. ENERGY: 2527600 734.2424 2145.8710 1976.9427 112.6424 -206576.4923 18028.9311 0.0000 0.0000 34295.5646 -149282.2982 299.5117 -183577.8627 -149186.2049 298.9672 155.8829 189.0942 555286.8231 12.7261 12.6927 PRESSURE: 2527800 -146.163 59.3813 170.401 59.3808 -363.054 135.517 170.4 135.516 -243.136 GPRESSURE: 2527800 -131.366 -38.4307 99.9214 35.5341 -336.078 55.6893 173.306 86.8779 -178.664 PRESSAVG: 2527800 6.89165 29.2046 28.2826 29.2045 -16.8702 -25.1925 28.2825 -25.1925 -29.7789 GPRESSAVG: 2527800 5.67781 29.1944 31.1141 27.6789 -16.4594 -23.0127 28.2616 -28.557 -29.3339 TIMING: 2527800 CPU: 7335.55, 0.00290862/step Wall: 7335.55, 0.00290862/step, 1.99741 hours remaining, 206.718750 MB of memory in use. ENERGY: 2527800 735.4519 2101.2729 1986.2328 116.1719 -206095.5130 17641.2046 0.0000 0.0000 34067.4716 -149447.7073 297.5197 -183515.1789 -149346.3101 299.2058 -250.7843 -215.3695 557547.4888 -13.2525 -13.3718 PRESSURE: 2528000 -10.2265 46.4913 56.6397 46.4914 153.849 88.5434 56.6407 88.5455 166.008 GPRESSURE: 2528000 48.1989 13.747 78.7643 50.6586 137.302 42.0356 -12.5734 154.49 215.783 PRESSAVG: 2528000 14.3965 -42.5977 8.49003 -42.5978 48.7647 -33.5757 8.49 -33.5757 -14.3963 GPRESSAVG: 2528000 14.3481 -40.3861 7.3768 -42.7861 48.8757 -36.5624 8.07526 -30.2938 -14.5732 TIMING: 2528000 CPU: 7336.14, 0.00291165/step Wall: 7336.14, 0.00291165/step, 1.99934 hours remaining, 206.718750 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: 2528000 714.8519 2154.1296 1960.7455 112.9857 -206232.7021 17713.5096 0.0000 0.0000 34214.6302 -149361.8495 298.8049 -183576.4798 -149269.3451 297.8171 103.2103 133.7614 555888.4175 16.2550 16.2169 PRESSURE: 2528200 223.464 -93.1836 43.0544 -93.1833 152.572 -43.6656 43.054 -43.6637 55.8175 GPRESSURE: 2528200 240.002 -91.4699 29.7453 -106.33 192.084 -112.318 20.2099 -78.3119 92.0724 PRESSAVG: 2528200 -35.5022 -33.6069 -31.9997 -33.6067 -31.1771 4.26479 -31.9996 4.26479 83.2177 GPRESSAVG: 2528200 -34.0193 -34.9725 -32.2753 -30.9136 -31.4703 4.31348 -33.546 2.0843 83.1216 TIMING: 2528200 CPU: 7336.71, 0.00288762/step Wall: 7336.71, 0.00288762/step, 1.98267 hours remaining, 206.718750 MB of memory in use. ENERGY: 2528200 743.8479 2107.3339 1959.3754 112.1369 -206412.2801 17871.8974 0.0000 0.0000 34264.0735 -149353.6151 299.2367 -183617.6886 -149252.6569 298.5843 143.9509 174.7196 556906.3776 5.5128 5.8773 LDB: ============= START OF LOAD BALANCING ============== 7340.18 LDB: ============== END OF LOAD BALANCING =============== 7340.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7340.18 LDB: ============= START OF LOAD BALANCING ============== 7340.47 LDB: Largest compute 4821 load 0.031338 is 26.6% of average load 0.117732 LDB: Average compute 0.001720 is 1.5% of average load 0.117732 LDB: TIME 7340.47 LOAD: AVG 0.117732 MAX 0.177929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 7340.47 LOAD: AVG 0.117732 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 7340.47 LOAD: AVG 0.117732 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7340.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7340.48 PRESSURE: 2528400 92.2184 83.4151 -104.874 83.4142 245.624 135.017 -104.875 135.017 -83.9565 GPRESSURE: 2528400 90.9404 113.605 -127.832 66.727 331.864 93.4454 -139.064 212.075 -67.042 PRESSAVG: 2528400 -35.5936 -11.1079 37.1915 -11.108 18.3606 -18.9997 37.1914 -18.9997 13.4912 GPRESSAVG: 2528400 -35.5073 -9.64994 36.7634 -12.6484 18.4115 -17.4701 39.8528 -19.3649 13.5204 TIMING: 2528400 CPU: 7337.3, 0.00294716/step Wall: 7337.3, 0.00294716/step, 2.02339 hours remaining, 207.054688 MB of memory in use. ENERGY: 2528400 728.4288 2104.2628 1952.3916 116.4308 -206409.2525 17848.9160 0.0000 0.0000 34288.3870 -149370.4356 299.4490 -183658.8226 -149268.0540 298.2200 84.6287 118.5875 557564.9088 -1.2473 -1.1918 PRESSURE: 2528600 72.5652 -226.256 -22.8497 -226.255 83.3852 75.3111 -22.8514 75.3122 228.18 GPRESSURE: 2528600 51.4617 -184.876 -58.009 -349.543 120.261 43.2512 -115.285 94.2711 310.419 PRESSAVG: 2528600 -74.8945 7.97626 -48.4442 7.97617 -0.744325 -18.1384 -48.4442 -18.1385 51.0449 GPRESSAVG: 2528600 -74.5701 7.29766 -48.2643 6.64812 -0.905973 -20.6555 -49.3351 -17.8418 51.114 TIMING: 2528600 CPU: 7337.89, 0.00291702/step Wall: 7337.89, 0.00291702/step, 2.00253 hours remaining, 207.054688 MB of memory in use. ENERGY: 2528600 753.5991 2201.8526 1940.4217 109.5193 -206601.7484 18072.7108 0.0000 0.0000 34044.7718 -149478.8732 297.3215 -183523.6449 -149388.7485 298.5893 128.0436 160.7138 557753.5917 -8.1980 -8.1207 PRESSURE: 2528800 -59.7044 190.215 155.34 190.215 -40.0679 65.5465 155.34 65.546 96.9987 GPRESSURE: 2528800 -33.9199 215.594 213.707 190.897 -14.7739 36.4296 145.295 114.929 142.371 PRESSAVG: 2528800 3.03709 22.0709 5.51657 22.0708 -9.91357 -26.3252 5.51659 -26.3251 10.1499 GPRESSAVG: 2528800 1.0781 21.4259 6.22372 23.4135 -8.43478 -23.9074 5.30052 -27.3722 10.1172 TIMING: 2528800 CPU: 7338.47, 0.00291915/step Wall: 7338.47, 0.00291915/step, 2.00383 hours remaining, 207.054688 MB of memory in use. ENERGY: 2528800 717.7369 2159.0002 1958.2265 122.9437 -206464.2425 17931.1446 0.0000 0.0000 34037.0318 -149538.1588 297.2539 -183575.1906 -149443.1007 298.0252 -0.9245 31.2257 557522.8725 1.0911 0.9202 PRESSURE: 2529000 219.498 -92.4598 -38.0348 -92.4602 -217.031 -7.6537 -38.0355 -7.65532 184.821 GPRESSURE: 2529000 273.175 -79.4847 -2.82391 -31.7419 -182.984 2.05364 -16.9715 0.313094 200.372 PRESSAVG: 2529000 42.2798 16.8166 28.103 16.8166 -84.4606 31.7621 28.1031 31.762 32.7505 GPRESSAVG: 2529000 43.6356 18.1269 28.6326 16.9011 -85.6327 28.7715 28.9082 36.813 32.6345 TIMING: 2529000 CPU: 7339.05, 0.00290708/step Wall: 7339.05, 0.00290708/step, 1.99539 hours remaining, 207.316406 MB of memory in use. ENERGY: 2529000 733.3658 2063.4459 1963.7990 117.7566 -206427.9125 17937.9046 0.0000 0.0000 34154.1591 -149457.4815 298.2768 -183611.6406 -149361.4143 298.0955 62.4291 96.8545 557986.9653 -3.1434 -3.1209 PRESSURE: 2529200 79.6533 0.435015 219.79 0.435677 196.831 -121.029 219.789 -121.029 341.518 GPRESSURE: 2529200 131.862 7.98752 111.654 -35.9433 237.069 -201.337 263.411 -77.7689 338.971 PRESSAVG: 2529200 31.4543 -23.9592 15.5603 -23.9592 39.2663 33.6227 15.5603 33.6227 -44.9964 GPRESSAVG: 2529200 31.4926 -24.7778 15.3836 -25.2019 39.061 36.279 13.4795 28.8235 -45.0093 TIMING: 2529200 CPU: 7339.63, 0.00289932/step Wall: 7339.63, 0.00289932/step, 1.9899 hours remaining, 207.316406 MB of memory in use. ENERGY: 2529200 737.5499 2116.3579 1963.0655 98.6359 -206905.4151 18181.2136 0.0000 0.0000 34264.9654 -149543.6269 299.2445 -183808.5924 -149452.2127 298.6583 206.0006 235.9673 556985.3342 8.5747 8.5148 PRESSURE: 2529400 70.5749 105.705 -34.4679 105.706 -85.8208 48.7016 -34.4662 48.7039 -256.34 GPRESSURE: 2529400 68.5499 78.5487 -55.5518 111.571 -40.1703 5.98842 -58.2008 38.5002 -192.771 PRESSAVG: 2529400 -23.5726 30.0493 -7.63297 30.0494 4.51725 -74.2687 -7.63295 -74.2687 -4.19754 GPRESSAVG: 2529400 -24.6651 31.5554 -7.80512 31.1237 4.26678 -74.5841 -7.15161 -72.9183 -3.3301 TIMING: 2529400 CPU: 7340.21, 0.00289744/step Wall: 7340.21, 0.00289744/step, 1.98845 hours remaining, 207.316406 MB of memory in use. ENERGY: 2529400 747.7485 2127.8287 1941.3099 108.0456 -205869.6496 17563.3214 0.0000 0.0000 34103.1606 -149278.2351 297.8314 -183381.3957 -149179.2821 298.5557 -90.5287 -54.7972 556616.3283 -7.7510 -7.9095 PRESSURE: 2529600 -147.541 36.8748 116.25 36.8754 -193.814 -90.5487 116.25 -90.5482 -158.135 GPRESSURE: 2529600 -95.7355 57.9712 135.095 -17.9589 -153.225 -10.3833 38.695 -143.948 -155.927 PRESSAVG: 2529600 14.6449 13.6963 -24.2045 13.6963 -24.4525 -8.74813 -24.2044 -8.74797 38.8001 GPRESSAVG: 2529600 15.0591 11.9662 -23.9324 13.7517 -24.2708 -9.49674 -23.4811 -8.60906 38.418 TIMING: 2529600 CPU: 7340.79, 0.0028841/step Wall: 7340.79, 0.0028841/step, 1.97913 hours remaining, 207.316406 MB of memory in use. ENERGY: 2529600 735.8795 2093.7414 1975.2819 108.8108 -205877.4156 17393.8901 0.0000 0.0000 34332.4564 -149237.3555 299.8339 -183569.8119 -149137.5607 298.5242 -166.4965 -134.9624 555538.2521 9.6642 9.7354 PRESSURE: 2529800 -209.34 68.1296 43.9559 68.1303 -120.199 -44.9657 43.9567 -44.967 -112.538 GPRESSURE: 2529800 -186.267 88.6281 26.515 32.4354 -65.3394 7.99364 93.4645 -88.061 -87.4911 PRESSAVG: 2529800 11.0462 -3.7244 -23.2737 -3.7244 21.721 -13.5993 -23.2736 -13.5994 -20.7309 GPRESSAVG: 2529800 12.0223 -3.69328 -22.9413 -5.42666 20.8935 -13.852 -23.9555 -12.8479 -20.8067 TIMING: 2529800 CPU: 7341.36, 0.00287857/step Wall: 7341.36, 0.00287857/step, 1.97518 hours remaining, 207.316406 MB of memory in use. ENERGY: 2529800 748.9265 2095.8308 1962.8391 135.2469 -205856.9108 17560.3450 0.0000 0.0000 34152.0941 -149201.6283 298.2587 -183353.7224 -149109.0567 299.5805 -147.3590 -113.0326 556316.1976 4.0121 4.0364 PRESSURE: 2530000 -295.686 -54.6999 -42.4459 -54.7 -228.292 166.545 -42.4458 166.545 4.49453 GPRESSURE: 2530000 -282.274 -66.6671 8.68165 -100.219 -180.235 204.806 -11.5055 123.649 27.5679 PRESSAVG: 2530000 35.8769 19.2085 -17.3356 19.2084 -7.23045 36.7006 -17.3357 36.7006 -27.2233 GPRESSAVG: 2530000 34.3781 18.2937 -16.7497 22.2182 -6.24191 36.7827 -16.7072 37.49 -27.2818 TIMING: 2530000 CPU: 7341.94, 0.00287582/step Wall: 7341.94, 0.00287582/step, 1.97313 hours remaining, 207.316406 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: 2530000 771.0228 2102.9492 1974.0859 111.8893 -206103.9048 17637.1468 0.0000 0.0000 34192.0720 -149314.7389 298.6079 -183506.8109 -149211.0731 299.6064 -173.1612 -144.9804 557192.3695 0.4744 0.2848 PRESSURE: 2530200 83.6567 117.539 -83.1806 117.539 -225.782 -124.342 -83.1812 -124.343 -152.712 GPRESSURE: 2530200 17.8562 109.61 -105.557 121.997 -156.543 -219.973 -100.726 -19.6339 -74.7985 PRESSAVG: 2530200 34.1295 -2.72788 13.0362 -2.72783 29.8681 -21.1232 13.0362 -21.1233 -60.0557 GPRESSAVG: 2530200 34.2499 -2.42043 13.2963 -4.133 29.7326 -21.2009 10.0295 -21 -59.7999 TIMING: 2530200 CPU: 7342.52, 0.00289961/step Wall: 7342.52, 0.00289961/step, 1.98929 hours remaining, 207.316406 MB of memory in use. ENERGY: 2530200 711.5129 2056.4459 1948.2916 106.6869 -205818.4495 17561.1296 0.0000 0.0000 34130.1754 -149304.2072 298.0673 -183434.3827 -149209.9506 299.0616 -98.2790 -71.1619 556434.4661 1.3140 1.3942 PRESSURE: 2530400 -163.678 -2.56681 -28.9398 -2.56875 -191.914 -6.58205 -28.9383 -6.58319 -136.225 GPRESSURE: 2530400 -110.753 -30.5957 -8.19721 21.2314 -155.233 -42.3396 -45.3826 -38.4585 -125.252 PRESSAVG: 2530400 14.5815 16.7974 -81.5555 16.7974 14.6429 12.0981 -81.5555 12.098 4.87149 GPRESSAVG: 2530400 14.6148 17.5465 -82.4864 17.4374 13.2825 11.2256 -80.1203 12.8034 6.28423 TIMING: 2530400 CPU: 7343.1, 0.00288619/step Wall: 7343.1, 0.00288619/step, 1.97992 hours remaining, 207.316406 MB of memory in use. ENERGY: 2530400 752.1577 2071.2414 1982.1024 117.1908 -206081.8013 17613.6327 0.0000 0.0000 34385.0011 -149160.4753 300.2928 -183545.4763 -149066.7774 298.7284 -163.9388 -130.4124 557436.5725 11.3653 11.3938 PRESSURE: 2530600 60.6001 46.1804 -124.349 46.1816 176.595 2.56522 -124.349 2.56339 8.35784 GPRESSURE: 2530600 143.344 113.757 -54.6409 -43.6555 148.121 -38.8989 -147.37 -33.4129 51.5964 PRESSAVG: 2530600 -45.9343 1.29394 1.13186 1.29399 -6.54329 -53.9562 1.13192 -53.9562 13.4632 GPRESSAVG: 2530600 -45.0551 0.732219 1.00315 2.06432 -4.30481 -51.8151 3.48583 -56.0843 10.8616 TIMING: 2530600 CPU: 7343.68, 0.00289314/step Wall: 7343.68, 0.00289314/step, 1.98453 hours remaining, 207.316406 MB of memory in use. ENERGY: 2530600 734.5490 2166.8573 1946.8817 97.6221 -206137.6914 17903.6979 0.0000 0.0000 34152.2881 -149135.7952 298.2604 -183288.0833 -149036.7627 299.3268 81.8508 114.3538 557248.4759 -13.0048 -12.8328 PRESSURE: 2530800 -13.7462 109.128 -10.7706 109.128 28.9168 62.1679 -10.7707 62.1674 -199.053 GPRESSURE: 2530800 42.9695 128.358 -47.2263 0.249719 48.4512 -99.3943 -11.2794 170.177 -174.746 PRESSAVG: 2530800 -16.1172 33.6925 -3.63125 33.6925 72.3663 -16.7828 -3.63131 -16.7827 -50.1261 GPRESSAVG: 2530800 -15.971 33.2144 -4.14346 32.5441 71.7274 -16.5775 -3.8859 -14.403 -49.8474 TIMING: 2530800 CPU: 7344.25, 0.00289933/step Wall: 7344.25, 0.00289933/step, 1.98862 hours remaining, 207.316406 MB of memory in use. ENERGY: 2530800 753.3256 2057.8190 1962.6117 103.0033 -205699.5363 17573.6703 0.0000 0.0000 34057.7527 -149191.3536 297.4348 -183249.1063 -149094.3174 299.3000 -61.2940 -27.7751 557488.0341 2.0410 1.9697 PRESSURE: 2531000 -115.516 -1.7956 -161.038 -1.79402 -54.4682 -107.572 -161.039 -107.573 1.91878 GPRESSURE: 2531000 -92.2751 -36.7124 -88.7046 -14.3739 2.85235 18.4457 -156.661 -172.994 17.0336 PRESSAVG: 2531000 8.63451 8.90085 -51.0918 8.90091 34.6694 -9.87725 -51.0917 -9.87722 22.9624 GPRESSAVG: 2531000 9.41976 9.74359 -52.191 8.65053 33.913 -10.7143 -50.7366 -10.5477 23.3952 TIMING: 2531000 CPU: 7344.84, 0.0029191/step Wall: 7344.84, 0.0029191/step, 2.00201 hours remaining, 207.316406 MB of memory in use. ENERGY: 2531000 749.5209 2087.2787 1974.5502 108.8743 -206084.0443 17684.7335 0.0000 0.0000 34410.7352 -149068.3516 300.5175 -183479.0867 -148971.4663 299.6994 -56.0218 -24.1297 558318.6796 22.0888 22.2426 PRESSURE: 2531200 -100.477 -13.0142 -111.653 -13.0127 37.2495 135.606 -111.654 135.606 -199.236 GPRESSURE: 2531200 -60.1326 -10.683 -133.684 -17.0411 78.3222 206.059 -101.826 48.2938 -175.739 PRESSAVG: 2531200 -32.6431 -16.5176 -52.9398 -16.5176 17.4476 0.477692 -52.9398 0.47786 -26.1288 GPRESSAVG: 2531200 -33.1182 -15.2706 -52.6129 -16.2078 17.4481 -0.510739 -53.1409 0.547736 -26.3449 TIMING: 2531200 CPU: 7345.42, 0.00290653/step Wall: 7345.42, 0.00290653/step, 1.99323 hours remaining, 207.316406 MB of memory in use. ENERGY: 2531200 746.9693 2024.9399 1938.7596 120.8959 -205782.0466 17716.1971 0.0000 0.0000 34207.7834 -149026.5014 298.7451 -183234.2848 -148935.3671 299.1151 -87.4876 -52.5163 557333.9092 -13.7748 -14.0050 PRESSURE: 2531400 300.362 -4.15944 65.8901 -4.15976 -31.4473 -69.9784 65.8918 -69.9799 -217.404 GPRESSURE: 2531400 306.179 -112.98 87.1677 -44.2529 7.84904 -143.368 35.4016 -46.4722 -155.58 PRESSAVG: 2531400 44.8667 -23.5471 -20.303 -23.5471 22.117 -38.7966 -20.303 -38.7966 -49.265 GPRESSAVG: 2531400 44.8271 -24.1731 -20.1769 -23.2305 23.0881 -37.5194 -21.0193 -39.0387 -49.6449 TIMING: 2531400 CPU: 7346, 0.00291795/step Wall: 7346, 0.00291795/step, 2.0009 hours remaining, 207.316406 MB of memory in use. ENERGY: 2531400 746.8057 2115.3338 1941.2753 119.2200 -206056.9982 17788.0396 0.0000 0.0000 34177.3499 -149168.9739 298.4793 -183346.3237 -149064.2466 299.7359 17.1703 52.8163 557086.4654 5.9062 6.0901 PRESSURE: 2531600 66.7791 -11.023 53.2737 -11.0225 -87.3062 -121.423 53.2736 -121.422 -36.5951 GPRESSURE: 2531600 116.45 27.7108 171.187 10.3139 -68.2827 -119.105 32.869 -58.4482 -26.6038 PRESSAVG: 2531600 46.9909 -1.17933 28.3252 -1.17947 -19.6289 -21.1676 28.3253 -21.1677 -14.5296 GPRESSAVG: 2531600 47.7597 -1.57342 29.4301 -2.01644 -20.5345 -24.2697 28.0521 -19.819 -14.6875 TIMING: 2531600 CPU: 7346.59, 0.00291111/step Wall: 7346.59, 0.00291111/step, 1.99605 hours remaining, 207.316406 MB of memory in use. ENERGY: 2531600 763.0045 2118.0417 1959.0067 99.2897 -206151.5857 17876.7870 0.0000 0.0000 34239.0436 -149096.4125 299.0181 -183335.4562 -149003.9366 299.2955 -19.0407 7.1880 556339.5327 4.2775 4.1792 PRESSURE: 2531800 -61.1402 133.171 26.3094 133.171 -156.308 90.3617 26.3094 90.3635 -311.493 GPRESSURE: 2531800 -67.5302 113.199 23.1315 220.546 -104.09 118.336 43.7394 70.227 -265.222 PRESSAVG: 2531800 3.83616 -22.4008 8.66441 -22.4007 -12.1098 -13.411 8.6643 -13.4109 -16.5188 GPRESSAVG: 2531800 1.77939 -22.4538 7.63869 -21.9971 -11.9686 -9.99393 10.5454 -14.3587 -14.5938 TIMING: 2531800 CPU: 7347.17, 0.002912/step Wall: 7347.17, 0.002912/step, 1.9965 hours remaining, 207.316406 MB of memory in use. ENERGY: 2531800 777.4252 2111.8942 1955.7252 115.5068 -206001.0766 17693.8417 0.0000 0.0000 34232.2435 -149114.4401 298.9587 -183346.6835 -149018.9807 299.2482 -176.3137 -145.6139 559104.7016 -8.2642 -8.2610 PRESSURE: 2532000 -196.315 73.5655 -100.325 73.5655 -1.51438 33.9023 -100.325 33.9013 293.69 GPRESSURE: 2532000 -141.52 -8.62625 -127.671 185.855 54.2182 -40.8947 -13.3228 105.965 275.187 PRESSAVG: 2532000 43.2471 4.54235 71.5605 4.54229 -21.7277 16.8086 71.5604 16.8085 5.34809 GPRESSAVG: 2532000 43.0097 5.42383 69.9054 4.48425 -20.3321 16.2728 72.7949 16.143 3.58215 TIMING: 2532000 CPU: 7347.75, 0.00293033/step Wall: 7347.75, 0.00293033/step, 2.0089 hours remaining, 207.316406 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: 2532000 729.0362 2121.0461 1954.8389 116.3527 -206094.8382 17748.7134 0.0000 0.0000 34092.3149 -149332.5359 297.7367 -183424.8508 -149241.9658 298.8864 31.9535 62.6286 558982.2810 8.9558 8.7533 PRESSURE: 2532200 -276.554 -47.2068 -11.5888 -47.2063 -2.37825 -110.815 -11.5907 -110.815 -306.093 GPRESSURE: 2532200 -208.704 47.8832 -42.6159 -5.19397 -49.1268 -189.521 -50.2155 -38.5671 -229.211 PRESSAVG: 2532200 -68.6677 27.2071 -25.7697 27.207 16.4555 11.5001 -25.7697 11.5003 1.69434 GPRESSAVG: 2532200 -67.5627 26.3309 -23.542 28.3351 14.8033 10.7138 -27.1487 13.5075 2.27804 TIMING: 2532200 CPU: 7348.34, 0.00291837/step Wall: 7348.34, 0.00291837/step, 2.00054 hours remaining, 207.316406 MB of memory in use. ENERGY: 2532200 724.7287 2089.7765 1944.4042 108.0698 -206100.7348 17673.0049 0.0000 0.0000 34311.1883 -149249.5623 299.6481 -183560.7507 -149156.5544 299.2820 -195.0086 -162.3475 558148.2549 -16.8393 -16.8271 LDB: ============= START OF LOAD BALANCING ============== 7351.81 LDB: ============== END OF LOAD BALANCING =============== 7351.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7351.81 LDB: ============= START OF LOAD BALANCING ============== 7352.1 LDB: Largest compute 4821 load 0.030307 is 25.8% of average load 0.117672 LDB: Average compute 0.001714 is 1.5% of average load 0.117672 LDB: TIME 7352.1 LOAD: AVG 0.117672 MAX 0.177916 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.195 MB LDB: TIME 7352.1 LOAD: AVG 0.117672 MAX 0.177916 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: TIME 7352.1 LOAD: AVG 0.117672 MAX 0.177916 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.398 MB LDB: ============== END OF LOAD BALANCING =============== 7352.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7352.11 PRESSURE: 2532400 125.66 47.5108 -22.812 47.5115 -99.0091 -49.0325 -22.8116 -49.0326 -44.4598 GPRESSURE: 2532400 110.781 -23.77 -94.3858 149.025 -75.2819 -18.4158 20.9086 -60.0894 52.4524 PRESSAVG: 2532400 -39.2741 26.8953 -4.13923 26.8953 22.6705 0.528246 -4.13935 0.52826 24.7688 GPRESSAVG: 2532400 -40.3002 27.7325 -5.41175 26.5879 21.389 0.278089 -5.45061 -1.72974 26.476 TIMING: 2532400 CPU: 7348.93, 0.00298364/step Wall: 7348.93, 0.00298364/step, 2.04512 hours remaining, 206.710938 MB of memory in use. ENERGY: 2532400 704.2125 2102.1166 1956.2670 110.2084 -206167.1628 17840.6524 0.0000 0.0000 34299.4559 -149154.2499 299.5457 -183453.7058 -149058.9401 299.7111 -5.9364 29.3171 558594.8412 2.7217 2.5216 PRESSURE: 2532600 -71.7637 57.7752 -119.176 57.7736 61.0287 -50.9913 -119.176 -50.9927 -126.971 GPRESSURE: 2532600 -0.524632 54.6051 -135.892 20.8741 82.3727 24.4544 -18.1803 18.7703 -110.88 PRESSAVG: 2532600 24.5571 -15.6236 2.18489 -15.6237 21.9613 17.2344 2.18478 17.2344 -48.5918 GPRESSAVG: 2532600 25.9101 -17.4852 4.33889 -13.2075 23.296 17.1805 2.11751 17.3989 -51.0407 TIMING: 2532600 CPU: 7349.51, 0.00289885/step Wall: 7349.51, 0.00289885/step, 1.98684 hours remaining, 206.710938 MB of memory in use. ENERGY: 2532600 746.7503 2129.1584 1940.7425 103.8098 -206259.0785 17909.3003 0.0000 0.0000 34323.1360 -149106.1812 299.7525 -183429.3172 -149010.1997 299.6953 -45.9021 -9.6773 558641.4200 -0.6911 -0.6115 PRESSURE: 2532800 38.8765 -93.7981 5.0956 -93.7977 112.813 -15.0976 5.0948 -15.0992 -36.7205 GPRESSURE: 2532800 72.2904 30.5804 67.6645 -192.069 124.642 -17.0416 -92.0064 -47.7487 10.5317 PRESSAVG: 2532800 33.6946 9.89983 -37.452 9.89982 41.904 -12.2087 -37.452 -12.2086 -60.9004 GPRESSAVG: 2532800 32.8634 12.7038 -38.6346 6.26817 42.8624 -11.3501 -37.0617 -12.1392 -60.8426 TIMING: 2532800 CPU: 7350.09, 0.00287224/step Wall: 7350.09, 0.00287224/step, 1.96844 hours remaining, 206.710938 MB of memory in use. ENERGY: 2532800 718.8373 2068.9747 1975.1483 111.8993 -206185.4763 17906.7701 0.0000 0.0000 34276.5637 -149127.2830 299.3458 -183403.8467 -149026.2140 298.8745 38.3229 69.1548 559195.4315 4.8994 4.9611 PRESSURE: 2533000 -11.8205 144.476 -74.9068 144.475 250.739 59.6282 -74.9071 59.6284 -1.24511 GPRESSURE: 2533000 36.4783 121.31 -127.013 107.633 263.688 70.8069 -74.7196 12.0588 36.2839 PRESSAVG: 2533000 -20.0762 -9.69549 9.71395 -9.6955 97.3831 -39.3742 9.71392 -39.3742 -24.7791 GPRESSAVG: 2533000 -19.322 -11.3493 7.02453 -9.18544 96.6428 -39.2827 12.0356 -41.2446 -24.8284 TIMING: 2533000 CPU: 7350.66, 0.00287723/step Wall: 7350.66, 0.00287723/step, 1.9717 hours remaining, 206.710938 MB of memory in use. ENERGY: 2533000 733.9233 2041.8867 1960.8771 114.3288 -206093.9756 18001.6732 0.0000 0.0000 34248.4855 -148992.8010 299.1005 -183241.2865 -148895.3268 299.7310 79.2246 112.1502 558014.7804 17.5093 17.4975 PRESSURE: 2533200 75.6057 -58.7546 46.1445 -58.7547 147.147 -50.2545 46.1431 -50.2547 56.3461 GPRESSURE: 2533200 112.614 -98.5624 137.902 -30.6746 139.348 -32.7751 70.0407 -74.2891 134.246 PRESSAVG: 2533200 41.6908 29.5972 19.6558 29.5972 38.4291 -12.9931 19.6558 -12.993 -78.6851 GPRESSAVG: 2533200 42.0528 31.0528 22.9077 28.0894 37.3107 -12.2333 17.9328 -12.4288 -77.6661 TIMING: 2533200 CPU: 7351.24, 0.00287547/step Wall: 7351.24, 0.00287547/step, 1.97034 hours remaining, 206.957031 MB of memory in use. ENERGY: 2533200 729.5064 2103.7447 1925.6017 90.7198 -206216.5567 17762.8429 0.0000 0.0000 34453.0794 -149151.0618 300.8873 -183604.1412 -149056.8381 298.4991 93.0330 128.7361 557341.6357 0.4783 0.5658 PRESSURE: 2533400 -155.683 101.472 -268.857 101.472 134.298 56.2113 -268.855 56.2112 51.3695 GPRESSURE: 2533400 -73.9941 67.7778 -259.953 146.823 166.682 21.1277 -209.191 89.8045 37.0575 PRESSAVG: 2533400 -73.4966 -30.8485 13.7252 -30.8485 8.88292 4.07852 13.7252 4.07856 14.5708 GPRESSAVG: 2533400 -73.7931 -32.0935 13.5444 -29.6853 10.5449 2.10496 13.6421 6.24429 13.8759 TIMING: 2533400 CPU: 7351.82, 0.00289429/step Wall: 7351.82, 0.00289429/step, 1.98307 hours remaining, 206.957031 MB of memory in use. ENERGY: 2533400 752.8621 2127.9132 1950.4213 105.3525 -205898.6199 17774.0980 0.0000 0.0000 34108.2973 -149079.6755 297.8762 -183187.9728 -148988.4375 299.2584 9.9949 43.2486 557411.3192 -16.6810 -16.4575 PRESSURE: 2533600 -199.367 -121.969 19.1668 -121.968 -325.491 40.2948 19.1672 40.2935 -235.296 GPRESSURE: 2533600 -163.943 -56.0696 24.2069 -208.409 -237.8 66.8672 -38.8941 51.2024 -267.399 PRESSAVG: 2533600 0.412995 0.550922 -21.6491 0.55097 -33.7784 51.6991 -21.6492 51.699 -19.0352 GPRESSAVG: 2533600 0.0339516 3.46846 -22.6802 0.0487697 -35.0985 52.7238 -21.2865 49.5766 -17.8259 TIMING: 2533600 CPU: 7352.4, 0.00290665/step Wall: 7352.4, 0.00290665/step, 1.99138 hours remaining, 206.957031 MB of memory in use. ENERGY: 2533600 784.9299 2038.6893 1947.4385 105.0114 -205565.9515 17457.9529 0.0000 0.0000 34270.3251 -148961.6045 299.2913 -183231.9295 -148861.9092 299.6187 -253.3846 -223.0470 558915.9134 -17.4669 -17.6301 PRESSURE: 2533800 -89.4446 24.0726 -92.2774 24.0728 105.86 -197.828 -92.2777 -197.829 143.792 GPRESSURE: 2533800 -33.5858 51.5077 -119.704 116.439 156.562 -212.844 -96.7724 -203.333 133.811 PRESSAVG: 2533800 -2.71834 -20.5471 -78.9669 -20.5472 12.2756 -7.78268 -78.9668 -7.78268 14.4677 GPRESSAVG: 2533800 -1.72174 -23.122 -78.5506 -18.6162 12.8707 -8.6359 -81.0435 -8.27166 13.1805 TIMING: 2533800 CPU: 7352.98, 0.00288769/step Wall: 7352.98, 0.00288769/step, 1.97823 hours remaining, 206.957031 MB of memory in use. ENERGY: 2533800 713.5600 2068.4744 1950.9500 108.6769 -205846.0149 17660.9070 0.0000 0.0000 34401.5011 -148941.9455 300.4369 -183343.4466 -148842.7170 299.8285 53.4026 85.5959 557344.2579 8.0083 8.1098 PRESSURE: 2534000 24.1174 -68.8004 64.8124 -68.8 268.251 -21.0465 64.8125 -21.0471 334.35 GPRESSURE: 2534000 51.2344 -74.9554 50.9738 -89.9824 294.811 -17.6751 117.543 -20.0723 380.411 PRESSAVG: 2534000 -45.9018 15.7805 12.7437 15.7805 6.52105 -47.126 12.7436 -47.126 59.9467 GPRESSAVG: 2534000 -47.0191 16.9259 13.6237 14.0061 7.68339 -47.3509 13.9319 -46.7962 60.1992 TIMING: 2534000 CPU: 7353.55, 0.00288173/step Wall: 7353.55, 0.00288173/step, 1.97398 hours remaining, 206.957031 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: 2534000 740.4016 2095.4260 1954.2458 99.4238 -205936.5676 18138.9525 0.0000 0.0000 34188.4808 -148719.6372 298.5765 -182908.1180 -148627.0438 300.4744 208.9060 242.1523 558237.3790 6.8553 6.9545 PRESSURE: 2534200 -223.444 -67.1757 -74.2381 -67.1758 -117.894 -74.2947 -74.2389 -74.2961 -322.428 GPRESSURE: 2534200 -266.523 -39.8218 -7.60976 -25.0044 -12.8534 -121.162 -65.7398 68.8636 -292.206 PRESSAVG: 2534200 54.8699 -3.04945 28.5593 -3.04952 -16.995 -5.81812 28.5593 -5.81799 -21.24 GPRESSAVG: 2534200 55.3093 -4.22977 27.8652 -3.26637 -17.3032 -5.64308 29.7992 -3.18922 -21.3062 TIMING: 2534200 CPU: 7354.13, 0.00289803/step Wall: 7354.13, 0.00289803/step, 1.98499 hours remaining, 206.957031 MB of memory in use. ENERGY: 2534200 724.0077 2123.9882 1960.3159 114.1315 -205413.3525 17389.5636 0.0000 0.0000 34086.6229 -149014.7227 297.6870 -183101.3455 -148915.0649 300.4372 -221.2553 -190.5272 558274.1803 5.5450 5.5666 PRESSURE: 2534400 161.501 -119.578 -125.558 -119.578 129.635 -41.5965 -125.558 -41.5979 74.7558 GPRESSURE: 2534400 175.162 -63.4816 -161.032 -139.485 167.722 -44.5278 -11.6543 -45.4012 119.133 PRESSAVG: 2534400 35.9699 11.8778 -27.9202 11.8779 -20.9503 -13.4834 -27.9203 -13.4833 -7.93779 GPRESSAVG: 2534400 36.0941 12.5665 -27.025 12.8329 -21.0942 -12.0313 -29.0429 -16.9434 -8.4877 TIMING: 2534400 CPU: 7354.72, 0.00290995/step Wall: 7354.72, 0.00290995/step, 1.99299 hours remaining, 206.957031 MB of memory in use. ENERGY: 2534400 708.3994 2035.1277 1954.8325 105.1947 -206142.3759 18005.0986 0.0000 0.0000 34245.0757 -149088.6473 299.0708 -183333.7229 -148986.7062 299.6329 121.9639 154.0056 556964.8206 2.3606 2.1707 PRESSURE: 2534600 -172.132 73.2295 82.3668 73.2292 15.0284 210.291 82.3677 210.29 -204.271 GPRESSURE: 2534600 -108.561 -46.5374 80.9557 169.475 19.7216 211.987 38.5333 196.094 -172.138 PRESSAVG: 2534600 66.7879 7.45634 35.48 7.45635 -3.65361 19.21 35.48 19.21 -53.5268 GPRESSAVG: 2534600 67.1553 6.55727 32.7186 6.81613 -4.02696 19.6299 37.5807 20.9679 -53.7322 TIMING: 2534600 CPU: 7355.29, 0.0028982/step Wall: 7355.29, 0.0028982/step, 1.98478 hours remaining, 206.957031 MB of memory in use. ENERGY: 2534600 765.1870 2075.9560 1954.5658 101.9149 -205671.9283 17652.7579 0.0000 0.0000 33982.0599 -149139.4868 296.7738 -183121.5467 -149049.0274 299.0765 -120.4582 -86.9927 558076.6312 3.2025 3.1320 PRESSURE: 2534800 -0.789835 29.8541 -53.1418 29.8541 27.5053 108.4 -53.1418 108.401 -55.7883 GPRESSURE: 2534800 95.2024 52.3544 -67.998 54.9691 46.0424 106.407 71.2543 52.7052 -77.566 PRESSAVG: 2534800 24.722 19.9646 -1.58989 19.9646 8.71603 5.0747 -1.58994 5.07455 -3.35856 GPRESSAVG: 2534800 24.4635 20.631 -0.0543507 20.7577 9.22723 4.48583 -3.29876 4.22705 -3.00058 TIMING: 2534800 CPU: 7355.87, 0.00289558/step Wall: 7355.87, 0.00289558/step, 1.98283 hours remaining, 206.957031 MB of memory in use. ENERGY: 2534800 737.8285 2138.4856 1952.9017 117.5668 -205994.1407 17796.6268 0.0000 0.0000 34062.6327 -149188.0988 297.4774 -183250.7314 -149091.2762 299.0604 -9.6909 21.2263 558027.6603 10.0265 10.2300 PRESSURE: 2535000 -0.332955 -31.5554 60.1472 -31.5561 61.9671 88.2009 60.1466 88.2013 86.996 GPRESSURE: 2535000 26.689 -86.4615 55.2868 -56.4476 58.5052 141.301 34.1539 -21.4914 155.93 PRESSAVG: 2535000 -18.6371 51.6662 7.63163 51.6663 36.4112 53.0146 7.63169 53.0146 -53.0553 GPRESSAVG: 2535000 -18.7209 50.0573 6.55531 50.7932 35.751 52.5135 8.41434 53.0467 -51.9838 TIMING: 2535000 CPU: 7356.46, 0.00291085/step Wall: 7356.46, 0.00291086/step, 1.99313 hours remaining, 206.957031 MB of memory in use. ENERGY: 2535000 723.9388 2072.8028 1963.1028 120.9294 -206064.3653 17764.3304 0.0000 0.0000 34288.2295 -149131.0316 299.4476 -183419.2611 -149039.8574 299.1111 49.5434 80.3748 556774.5582 -11.7604 -11.6512 PRESSURE: 2535200 53.5713 154.358 -69.198 154.358 -127.64 -42.6621 -69.1983 -42.6622 -41.8897 GPRESSURE: 2535200 85.1426 160.215 -71.0324 74.7442 -60.1807 72.4559 -3.48509 -32.5353 -30.6252 PRESSAVG: 2535200 16.9812 -58.9795 -57.8438 -58.9795 -8.48679 -8.13504 -57.8437 -8.135 13.394 GPRESSAVG: 2535200 17.2723 -57.818 -56.9013 -59.4184 -7.75775 -7.91544 -57.153 -8.34324 12.5721 TIMING: 2535200 CPU: 7357.03, 0.00288816/step Wall: 7357.03, 0.00288816/step, 1.97743 hours remaining, 206.957031 MB of memory in use. ENERGY: 2535200 739.6666 2089.4257 1949.5986 129.4082 -206265.5602 17937.6616 0.0000 0.0000 34166.9992 -149252.8004 298.3889 -183419.7995 -149154.8634 299.3602 -38.6528 -1.8878 557081.2383 7.2962 7.3622 PRESSURE: 2535400 -110.632 39.8687 135.698 39.8693 -47.9176 126.38 135.697 126.378 -62.7502 GPRESSURE: 2535400 -81.8155 64.1391 177.839 -7.7637 -36.1832 110.844 51.6762 125.619 -12.7034 PRESSAVG: 2535400 -32.35 34.9134 -21.0996 34.9135 -30.1643 20.0346 -21.0996 20.0347 76.5528 GPRESSAVG: 2535400 -32.6615 34.6308 -21.5843 36.4496 -29.6905 19.8633 -22.2736 20.7458 76.369 TIMING: 2535400 CPU: 7357.62, 0.00291198/step Wall: 7357.62, 0.00291198/step, 1.99357 hours remaining, 206.957031 MB of memory in use. ENERGY: 2535400 773.1141 2099.4705 1977.5914 126.3356 -206042.8125 17795.8136 0.0000 0.0000 34265.5610 -149004.9262 299.2497 -183270.4873 -148917.8657 298.9675 -73.7667 -43.5674 557572.3145 4.6795 4.6724 PRESSURE: 2535600 -182.027 10.7871 -7.72037 10.7871 -22.0275 67.3984 -7.72097 67.3979 -107.816 GPRESSURE: 2535600 -184.113 -33.6977 -13.3337 29.6308 4.52825 153.561 77.1838 15.9246 -32.3426 PRESSAVG: 2535600 -31.8941 25.467 -3.25948 25.467 86.6791 26.3261 -3.25955 26.3261 7.46859 GPRESSAVG: 2535600 -32.418 26.7039 -1.25292 24.7481 86.9308 27.4482 -3.60572 24.4751 8.30106 TIMING: 2535600 CPU: 7358.2, 0.00289467/step Wall: 7358.2, 0.00289467/step, 1.98156 hours remaining, 206.957031 MB of memory in use. ENERGY: 2535600 765.3391 2111.7723 1981.3907 104.7162 -205916.4935 17555.4471 0.0000 0.0000 34416.2121 -148981.6160 300.5653 -183397.8281 -148894.7645 299.2823 -103.9568 -70.6423 557267.8934 20.7512 20.9379 PRESSURE: 2535800 -197.426 -18.0729 198.326 -18.0714 127.354 -85.2607 198.326 -85.2607 -111.351 GPRESSURE: 2535800 -213.679 -45.9535 171.49 -24.0546 172.936 11.8068 262.587 -138.874 -39.648 PRESSAVG: 2535800 -49.5878 0.837483 14.0722 0.837454 46.0249 -43.5197 14.0722 -43.5196 -69.6504 GPRESSAVG: 2535800 -47.6697 -0.772036 13.2595 1.29231 45.8659 -46.8774 15.8202 -39.8836 -71.678 TIMING: 2535800 CPU: 7358.78, 0.0029098/step Wall: 7358.78, 0.0029098/step, 1.99176 hours remaining, 206.957031 MB of memory in use. ENERGY: 2535800 729.0020 2079.5251 1966.6503 119.9368 -205976.8660 17750.1199 0.0000 0.0000 34292.3010 -149039.3310 299.4832 -183331.6320 -148943.3520 299.7754 -60.4744 -26.7969 558118.7117 -24.4044 -24.4939 PRESSURE: 2536000 -479.957 -22.5871 14.9824 -22.5876 -37.6359 -76.7598 14.9821 -76.7586 -136.672 GPRESSURE: 2536000 -440.333 9.06468 90.8408 -59.02 4.43411 -82.6103 26.3149 -20.4559 -114.753 PRESSAVG: 2536000 -113.113 -4.98761 6.63968 -4.98759 32.4844 -34.935 6.63967 -34.9351 76.967 GPRESSAVG: 2536000 -114.747 -4.21791 5.466 -5.66568 31.7858 -33.3504 5.57719 -35.8083 78.9914 TIMING: 2536000 CPU: 7359.36, 0.00290303/step Wall: 7359.36, 0.00290303/step, 1.98696 hours remaining, 206.957031 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: 2536000 749.1634 2089.5089 1951.6024 106.7892 -205819.5695 17507.0935 0.0000 0.0000 34309.4059 -149106.0062 299.6326 -183415.4121 -148999.2148 299.8403 -218.0881 -183.5505 558997.8988 -1.2204 -1.3232 PRESSURE: 2536200 41.1833 -110.5 -29.7755 -110.498 -78.7867 116.778 -29.7763 116.779 81.3162 GPRESSURE: 2536200 94.9108 -136.981 -85.9785 -3.76202 -29.3892 88.1737 -10.7395 90.3786 78.1498 PRESSAVG: 2536200 -22.3379 -18.9785 -45.5167 -18.9785 -49.4558 -35.0367 -45.5166 -35.0368 75.8219 GPRESSAVG: 2536200 -23.1346 -19.3648 -44.4294 -17.1896 -48.6297 -34.4293 -46.0765 -34.838 75.0921 TIMING: 2536200 CPU: 7359.94, 0.00289501/step Wall: 7359.94, 0.00289501/step, 1.98131 hours remaining, 206.957031 MB of memory in use. ENERGY: 2536200 716.9350 2026.0491 1939.8501 115.8264 -206039.9366 17742.0419 0.0000 0.0000 34242.5513 -149256.6828 299.0487 -183499.2341 -149159.4900 299.0260 14.5709 47.8905 557226.9879 1.3427 1.1093 LDB: ============= START OF LOAD BALANCING ============== 7363.4 LDB: ============== END OF LOAD BALANCING =============== 7363.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7363.4 LDB: ============= START OF LOAD BALANCING ============== 7363.69 LDB: Largest compute 4821 load 0.031435 is 26.7% of average load 0.117770 LDB: Average compute 0.001726 is 1.5% of average load 0.117770 LDB: TIME 7363.69 LOAD: AVG 0.11777 MAX 0.176178 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.305 MB LDB: TIME 7363.69 LOAD: AVG 0.11777 MAX 0.176178 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.508 MB LDB: TIME 7363.69 LOAD: AVG 0.11777 MAX 0.176178 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7363.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7363.7 PRESSURE: 2536400 162.105 -128.748 -89.8633 -128.749 112.679 68.2605 -89.8634 68.2613 -55.3984 GPRESSURE: 2536400 226.325 -114.827 -22.8552 -95.937 150.667 36.8627 -103.511 22.6415 -58.42 PRESSAVG: 2536400 -7.81231 7.87362 -45.1028 7.87363 39.337 13.7972 -45.1027 13.7973 -19.1314 GPRESSAVG: 2536400 -7.65327 8.14935 -44.9779 6.75975 39.2532 12.758 -45.2772 12.8089 -18.9379 TIMING: 2536400 CPU: 7360.52, 0.00293914/step Wall: 7360.52, 0.00293914/step, 2.01135 hours remaining, 206.453125 MB of memory in use. ENERGY: 2536400 752.1482 2079.9535 1966.5095 104.8689 -206217.0007 17960.0336 0.0000 0.0000 34209.2334 -149144.2535 298.7577 -183353.4870 -149047.2162 298.5661 73.1288 106.1909 556608.1731 4.1311 4.2207 PRESSURE: 2536600 119.497 -21.0325 63.2634 -21.0329 -81.8997 40.801 63.264 40.8013 -85.7829 GPRESSURE: 2536600 251.211 -26.8041 62.1378 -64.2314 -57.597 115.769 85.7969 -83.4494 -145.862 PRESSAVG: 2536600 18.2409 -35.0375 -8.4917 -35.0375 -39.8669 29.0373 -8.49168 29.0374 5.1528 GPRESSAVG: 2536600 18.9853 -37.523 -8.56146 -34.6519 -41.4974 29.9899 -8.23146 29.1536 5.73856 TIMING: 2536600 CPU: 7361.11, 0.00291004/step Wall: 7361.11, 0.00291004/step, 1.99128 hours remaining, 206.652344 MB of memory in use. ENERGY: 2536600 715.6953 2106.2183 1970.6401 112.9911 -205743.2200 17615.4651 0.0000 0.0000 34209.8728 -149012.3374 298.7633 -183222.2101 -148915.3705 299.3910 -16.0620 15.9174 557933.1765 -5.4911 -5.5912 PRESSURE: 2536800 -165.314 26.5521 148.584 26.5514 -101.175 151.352 148.585 151.35 -320.299 GPRESSURE: 2536800 -134.819 61.4212 74.0396 -61.9375 -84.737 188.127 148.486 132.497 -257.344 PRESSAVG: 2536800 25.6292 -12.6669 12.0666 -12.667 15.8285 1.58829 12.0666 1.58821 13.4728 GPRESSAVG: 2536800 24.9285 -9.39033 14.5013 -14.1764 15.7518 -0.574775 10.143 2.77149 14.0979 TIMING: 2536800 CPU: 7361.69, 0.00289382/step Wall: 7361.69, 0.00289382/step, 1.98002 hours remaining, 206.652344 MB of memory in use. ENERGY: 2536800 769.1847 2118.2591 1940.7585 100.4416 -205971.6970 17749.7822 0.0000 0.0000 34198.7430 -149094.5278 298.6661 -183293.2709 -148993.6408 299.9016 -195.5959 -158.9665 559794.9636 18.3102 18.2594 PRESSURE: 2537000 3.63226 30.577 33.2118 30.5772 182.843 -30.1966 33.2112 -30.1968 75.458 GPRESSURE: 2537000 53.8533 91.1959 5.22276 -72.993 182.662 5.00749 13.0369 -126.649 112.826 PRESSAVG: 2537000 -49.3306 0.329968 -8.39059 0.329929 -49.894 23.8046 -8.39059 23.8046 89.1689 GPRESSAVG: 2537000 -48.6474 0.190846 -12.3038 0.107325 -48.6604 23.8863 -7.70752 21.4986 87.3433 TIMING: 2537000 CPU: 7362.27, 0.00290656/step Wall: 7362.27, 0.00290656/step, 1.98857 hours remaining, 206.652344 MB of memory in use. ENERGY: 2537000 739.4083 2092.7594 1963.2159 111.4370 -206235.7777 17853.3807 0.0000 0.0000 34335.6832 -149139.8932 299.8621 -183475.5764 -149048.7068 299.8012 87.3110 116.4469 556346.5723 -3.3519 -3.3215 PRESSURE: 2537200 -101.382 113.602 45.8865 113.602 -176.024 -203.494 45.8868 -203.495 -229.955 GPRESSURE: 2537200 -86.9493 31.8707 71.6124 179.622 -158.836 -229.018 46.0498 -219.096 -167.395 PRESSAVG: 2537200 -24.4156 -3.7611 6.22389 -3.76114 13.6457 -43.6568 6.22385 -43.6568 -16.1183 GPRESSAVG: 2537200 -24.5493 -5.47621 6.66332 -2.38932 13.0396 -42.6768 7.69898 -41.7892 -14.9919 TIMING: 2537200 CPU: 7362.85, 0.00291821/step Wall: 7362.85, 0.00291821/step, 1.99638 hours remaining, 206.652344 MB of memory in use. ENERGY: 2537200 767.7413 2126.2875 1945.5628 102.6640 -206121.7815 17619.8612 0.0000 0.0000 34285.6370 -149274.0276 299.4250 -183559.6647 -149186.9528 299.0258 -169.1203 -137.7267 557577.6947 -8.9627 -8.8339 PRESSURE: 2537400 -143.698 -89.317 79.5041 -89.3165 -119.305 -13.1846 79.5039 -13.185 -151.492 GPRESSURE: 2537400 -76.3535 -24.1455 112.311 -104.802 -72.323 45.1971 20.5386 13.6105 -163.95 PRESSAVG: 2537400 1.4858 -17.0282 4.30298 -17.0282 43.1479 0.00964878 4.30296 0.00948732 1.4381 GPRESSAVG: 2537400 1.72024 -16.3551 7.19667 -18.5685 42.4616 -0.147058 3.97402 -0.183547 1.93333 TIMING: 2537400 CPU: 7363.43, 0.00289391/step Wall: 7363.43, 0.00289391/step, 1.9796 hours remaining, 206.652344 MB of memory in use. ENERGY: 2537400 768.6511 2061.9542 1981.8246 101.2330 -206203.8894 17683.2632 0.0000 0.0000 34265.6843 -149341.2789 299.2507 -183606.9632 -149236.7921 298.6441 -138.1651 -104.2089 558775.5564 15.3573 15.3717 PRESSURE: 2537600 145.324 -261.161 91.7829 -261.16 192.876 -56.4053 91.7833 -56.4052 233.906 GPRESSURE: 2537600 206.442 -225.936 51.0633 -226.456 211.504 -125.474 52.5149 -96.3312 243.613 PRESSAVG: 2537600 7.38408 -36.9293 1.64398 -36.9292 -15.5756 0.582676 1.64392 0.582618 -1.91172 GPRESSAVG: 2537600 6.52516 -37.6621 0.498006 -36.5338 -15.2017 1.74637 -0.287434 1.98285 -1.90094 TIMING: 2537600 CPU: 7364.01, 0.00289666/step Wall: 7364.01, 0.00289666/step, 1.98132 hours remaining, 206.652344 MB of memory in use. ENERGY: 2537600 683.9063 2072.8027 1976.1905 103.4391 -206465.8272 18153.0337 0.0000 0.0000 34324.2207 -149152.2342 299.7620 -183476.4549 -149058.1415 299.5023 190.7018 220.5194 556612.3897 -3.3677 -3.5258 PRESSURE: 2537800 134.936 -36.992 -141.067 -36.9923 -274.024 -13.2337 -141.069 -13.2333 -188.07 GPRESSURE: 2537800 137.756 -49.1389 -62.8229 -23.602 -233.852 -108.774 -184.674 69.0458 -128.672 PRESSAVG: 2537800 104.403 9.4352 21.473 9.43513 -24.8983 -8.32535 21.4729 -8.32539 -81.6384 GPRESSAVG: 2537800 104.533 9.9322 22.1249 8.77839 -24.3601 -8.30052 23.3667 -8.61829 -82.2077 TIMING: 2537800 CPU: 7364.59, 0.00288753/step Wall: 7364.59, 0.00288753/step, 1.97491 hours remaining, 206.652344 MB of memory in use. ENERGY: 2537800 705.8595 2118.4115 1924.9515 110.4998 -205830.8081 17561.7100 0.0000 0.0000 34131.6071 -149277.7685 298.0798 -183409.3756 -149181.9988 298.4833 -109.0528 -74.9227 557832.8557 -0.7112 -0.6782 PRESSURE: 2538000 -207.833 46.2818 44.8217 46.2803 -7.94138 35.8215 44.8211 35.8215 -6.84709 GPRESSURE: 2538000 -181.927 74.6264 10.3381 10.1499 14.9396 103.308 77.0852 45.8005 47.1836 PRESSAVG: 2538000 16.7393 -18.9816 23.6844 -18.9817 3.64996 -16.2887 23.6843 -16.2887 -17.6573 GPRESSAVG: 2538000 17.9171 -18.5044 23.5495 -20.1386 3.78091 -15.3224 21.7028 -18.7235 -18.9869 TIMING: 2538000 CPU: 7365.17, 0.00289835/step Wall: 7365.17, 0.00289835/step, 1.98215 hours remaining, 206.652344 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: 2538000 709.8415 2125.1160 1934.4359 113.4640 -206227.4855 17819.5610 0.0000 0.0000 34217.6876 -149307.3796 298.8316 -183525.0672 -149207.6963 298.6902 -74.2072 -39.9347 557841.3460 0.9106 0.9037 PRESSURE: 2538200 46.2018 -65.0803 -63.7026 -65.081 -260.234 -115.63 -63.7031 -115.631 -136.155 GPRESSURE: 2538200 36.7827 33.0613 -65.2554 -68.4093 -250.976 -76.1742 -69.8239 -104.774 -29.8881 PRESSAVG: 2538200 18.6241 -7.43639 -16.6829 -7.43636 -27.0117 -56.0414 -16.683 -56.0414 -19.5031 GPRESSAVG: 2538200 17.4531 -8.52649 -16.63 -4.7725 -27.507 -55.7455 -15.9451 -55.7094 -17.3055 TIMING: 2538200 CPU: 7365.74, 0.00288063/step Wall: 7365.74, 0.00288063/step, 1.96987 hours remaining, 206.652344 MB of memory in use. ENERGY: 2538200 753.5643 2042.7879 1950.7380 119.2902 -206194.3693 17578.0000 0.0000 0.0000 34436.2841 -149313.7047 300.7406 -183749.9889 -149213.7326 298.9567 -116.7293 -81.3605 557047.2920 -9.2969 -9.1198 PRESSURE: 2538400 48.2957 33.8521 -204.744 33.8507 -26.3125 -11.0016 -204.744 -11.0014 85.3886 GPRESSURE: 2538400 69.4674 -6.89133 -192.882 156.611 24.377 31.0963 -97.7162 -46.4484 101.68 PRESSAVG: 2538400 35.3308 55.7866 -39.9879 55.7866 -17.21 -6.2417 -39.9879 -6.24167 -13.3233 GPRESSAVG: 2538400 37.0714 55.4042 -40.8931 55.9131 -17.1517 -7.75064 -40.0793 -5.16774 -15.0295 TIMING: 2538400 CPU: 7366.32, 0.00288018/step Wall: 7366.32, 0.00288018/step, 1.9694 hours remaining, 206.652344 MB of memory in use. ENERGY: 2538400 765.0176 2075.6467 1971.0775 118.6970 -206513.2940 17942.8565 0.0000 0.0000 34259.1722 -149380.8266 299.1939 -183639.9988 -149296.5799 298.6610 35.7906 65.1750 555789.3845 1.5992 1.6301 PRESSURE: 2538600 176.983 -0.579818 -38.6601 -0.578766 -8.37798 39.219 -38.6605 39.2176 -54.7908 GPRESSURE: 2538600 181.421 -82.8223 0.780054 -56.0657 60.7006 39.8569 -34.1371 52.2814 -22.2346 PRESSAVG: 2538600 50.9269 24.7298 -58.9106 24.7298 32.1227 -27.1641 -58.9105 -27.1641 -19.9355 GPRESSAVG: 2538600 49.6183 24.7918 -58.6577 23.3783 33.0295 -26.2281 -59.288 -30.1207 -19.3153 TIMING: 2538600 CPU: 7366.89, 0.00287148/step Wall: 7366.89, 0.00287148/step, 1.96329 hours remaining, 206.652344 MB of memory in use. ENERGY: 2538600 726.9092 2117.4651 1949.0739 106.8585 -206335.9842 17895.7161 0.0000 0.0000 34281.0516 -149258.9097 299.3849 -183539.9613 -149164.4299 298.7932 37.9382 73.2956 557335.6976 21.0380 21.1108 PRESSURE: 2538800 -49.9356 105.635 -22.6865 105.636 113.655 -73.4443 -22.6858 -73.4435 81.5601 GPRESSURE: 2538800 -40.0241 58.3914 5.83122 109.151 156.75 -100.2 -49.3028 -46.6872 122.459 PRESSAVG: 2538800 36.93 -50.7678 -18.9534 -50.7678 -18.1181 27.4512 -18.9533 27.4511 29.8748 GPRESSAVG: 2538800 37.2366 -50.5692 -19.1201 -50.8059 -18.9578 27.4175 -17.6357 28.9046 30.1656 TIMING: 2538800 CPU: 7367.47, 0.00287522/step Wall: 7367.47, 0.00287522/step, 1.9657 hours remaining, 206.652344 MB of memory in use. ENERGY: 2538800 731.9267 2094.1564 1948.5361 117.4778 -206203.8889 17947.6288 0.0000 0.0000 34193.1848 -149170.9783 298.6176 -183364.1631 -149075.7567 299.0825 48.4265 79.7282 558531.1132 16.2289 16.1481 PRESSURE: 2539000 130.224 116.71 14.5252 116.711 -252.892 57.8136 14.5249 57.8131 -236.854 GPRESSURE: 2539000 178.135 86.5395 82.1198 200.771 -207.806 -58.4911 -61.9208 173.921 -217.293 PRESSAVG: 2539000 -53.0239 6.85485 -41.3368 6.85486 5.5486 5.48071 -41.3368 5.48068 37.6272 GPRESSAVG: 2539000 -52.8872 8.25131 -41.59 7.36073 7.15615 4.44962 -40.6881 5.85899 36.6019 TIMING: 2539000 CPU: 7368.04, 0.00287812/step Wall: 7368.04, 0.00287812/step, 1.96751 hours remaining, 206.652344 MB of memory in use. ENERGY: 2539000 774.8298 2144.1529 1964.2249 111.3864 -206548.2438 17854.3738 0.0000 0.0000 34610.1146 -149089.1615 302.2587 -183699.2760 -148988.9289 299.5412 -119.8408 -82.3213 557767.3481 -3.2827 -3.0430 PRESSURE: 2539200 9.18486 178.07 -3.72585 178.068 193.201 -13.0419 -3.72626 -13.0431 246.137 GPRESSURE: 2539200 78.5685 159.503 -156.469 197.128 179.773 -12.9877 127.067 -16.3438 293.843 PRESSAVG: 2539200 -18.2202 11.4213 -22.6117 11.4212 23.8806 43.3905 -22.6116 43.3904 38.3327 GPRESSAVG: 2539200 -17.6671 9.39592 -23.8177 12.5677 21.6824 43.7931 -23.3899 43.204 40.3089 TIMING: 2539200 CPU: 7368.62, 0.00288711/step Wall: 7368.62, 0.00288711/step, 1.9735 hours remaining, 206.652344 MB of memory in use. ENERGY: 2539200 744.2711 2089.8406 1988.9627 126.7572 -206449.0522 17902.2555 0.0000 0.0000 34448.3686 -149148.5965 300.8462 -183596.9651 -149054.9911 299.4952 149.5076 184.0613 555646.8643 14.6644 14.7747 PRESSURE: 2539400 -302.153 -43.1528 -154.093 -43.1527 -106.897 -108.615 -154.093 -108.614 -267.408 GPRESSURE: 2539400 -276.527 -29.2307 -135.395 -88.1477 -83.309 -104.345 -202.884 -82.3729 -231.317 PRESSAVG: 2539400 -74.9423 38.1157 -4.72325 38.1157 14.8784 -24.9248 -4.72328 -24.9247 79.6486 GPRESSAVG: 2539400 -76.0855 39.1204 -2.72769 35.1483 15.7316 -25.5828 -5.806 -23.4015 79.4765 TIMING: 2539400 CPU: 7369.19, 0.00286918/step Wall: 7369.19, 0.00286918/step, 1.96109 hours remaining, 206.652344 MB of memory in use. ENERGY: 2539400 766.5949 2119.3118 1950.1500 122.4194 -205923.6229 17676.7180 0.0000 0.0000 33974.7683 -149313.6606 296.7101 -183288.4289 -149214.6696 299.6234 -225.4863 -197.0512 557955.1753 6.5282 6.3742 PRESSURE: 2539600 69.6371 -235.771 73.7708 -235.77 61.0784 87.3496 73.7717 87.3496 -53.0647 GPRESSURE: 2539600 96.499 -188.354 54.8458 -215.747 84.3266 75.6766 130.141 89.0143 -12.0964 PRESSAVG: 2539600 -38.0495 -42.519 3.48145 -42.5189 30.3756 40.3605 3.4815 40.3605 -1.02863 GPRESSAVG: 2539600 -37.3558 -44.0973 2.39012 -40.7584 30.4409 39.5025 4.98785 38.3706 -2.27708 TIMING: 2539600 CPU: 7369.77, 0.00289686/step Wall: 7369.77, 0.00289686/step, 1.97984 hours remaining, 206.652344 MB of memory in use. ENERGY: 2539600 745.5744 2087.6457 1940.9331 116.7600 -206315.5283 17948.6430 0.0000 0.0000 34217.3964 -149258.5757 298.8290 -183475.9721 -149167.9005 298.7489 25.8836 56.2430 557947.6699 -2.9008 -3.0640 PRESSURE: 2539800 151.812 42.9521 -46.9267 42.9521 5.4612 46.1679 -46.927 46.1703 -117.123 GPRESSURE: 2539800 192.361 18.3075 -96.6611 -14.6375 17.9931 -34.421 -23.0138 143.722 -74.0528 PRESSAVG: 2539800 -25.7399 32.2747 -9.23881 32.2747 -40.6198 29.6342 -9.23868 29.6342 29.4828 GPRESSAVG: 2539800 -26.5187 32.9853 -10.4463 32.6531 -40.8035 32.4938 -9.29155 29.7581 30.5048 TIMING: 2539800 CPU: 7370.35, 0.00288167/step Wall: 7370.35, 0.00288167/step, 1.9693 hours remaining, 206.652344 MB of memory in use. ENERGY: 2539800 735.7330 2090.9897 1970.9723 113.6211 -206390.6617 17898.5373 0.0000 0.0000 34384.9823 -149195.8259 300.2926 -183580.8082 -149092.9404 299.0371 13.3835 45.4337 556729.6009 -12.2923 -12.2725 PRESSURE: 2540000 140.422 153.533 83.3271 153.533 -10.6801 -126.382 83.3273 -126.38 175.891 GPRESSURE: 2540000 173.496 234.965 20.59 114.253 -6.84277 -135.811 110.059 -137.27 230.428 PRESSAVG: 2540000 42.1954 22.6133 -1.2846 22.6133 -5.68076 -10.2412 -1.28458 -10.2411 -43.6004 GPRESSAVG: 2540000 42.4892 24.2855 -0.6251 20.7715 -4.75528 -12.5386 -2.21733 -9.08509 -44.4242 TIMING: 2540000 CPU: 7370.93, 0.00288932/step Wall: 7370.93, 0.00288932/step, 1.97437 hours remaining, 206.652344 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: 2540000 733.2862 2181.7427 1947.0329 116.6865 -206236.9430 17860.8782 0.0000 0.0000 34311.9734 -149085.3431 299.6550 -183397.3165 -148993.3228 300.0335 101.8777 132.3604 556728.3964 -2.3619 -2.2301 PRESSURE: 2540200 -13.0121 63.2137 36.3155 63.2138 -99.9257 -83.1876 36.3171 -83.1872 -187.149 GPRESSURE: 2540200 66.6619 17.6233 25.0851 135.576 -52.2106 -57.5027 60.8362 -2.84657 -210.039 PRESSAVG: 2540200 5.86397 0.399461 20.7271 0.399461 -6.93512 13.6182 20.7271 13.6183 -27.8159 GPRESSAVG: 2540200 7.3855 -2.46688 22.2084 2.58934 -6.67584 16.742 22.1351 12.458 -29.3846 TIMING: 2540200 CPU: 7371.5, 0.00288668/step Wall: 7371.5, 0.00288668/step, 1.9724 hours remaining, 206.652344 MB of memory in use. ENERGY: 2540200 728.2191 2092.0291 1945.2042 111.4282 -206350.8369 17742.4302 0.0000 0.0000 34482.8282 -149248.6978 301.1471 -183731.5261 -149146.2660 300.0248 -100.0288 -65.1960 557551.3354 -9.6290 -9.5583 LDB: ============= START OF LOAD BALANCING ============== 7374.97 LDB: ============== END OF LOAD BALANCING =============== 7374.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7374.97 LDB: ============= START OF LOAD BALANCING ============== 7375.26 LDB: Largest compute 4821 load 0.029634 is 25.1% of average load 0.117861 LDB: Average compute 0.001719 is 1.5% of average load 0.117861 LDB: TIME 7375.26 LOAD: AVG 0.117861 MAX 0.176427 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.109 MB LDB: TIME 7375.26 LOAD: AVG 0.117861 MAX 0.176427 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.309 MB LDB: TIME 7375.26 LOAD: AVG 0.117861 MAX 0.176427 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.309 MB LDB: ============== END OF LOAD BALANCING =============== 7375.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7375.27 PRESSURE: 2540400 -514.239 162.223 76.8913 162.224 -282.194 66.3213 76.893 66.3214 -517.449 GPRESSURE: 2540400 -459.723 177.503 103.858 148.146 -286.038 104.178 168.877 74.7687 -469.505 PRESSAVG: 2540400 12.7353 -55.3257 57.3572 -55.3256 19.6371 -1.78311 57.3573 -1.78305 -27.7576 GPRESSAVG: 2540400 12.1255 -53.9943 57.6742 -56.4401 19.2335 -5.80593 55.1195 -0.0485752 -26.5393 TIMING: 2540400 CPU: 7372.1, 0.00295458/step Wall: 7372.1, 0.00295458/step, 2.01863 hours remaining, 206.136719 MB of memory in use. ENERGY: 2540400 758.6317 2059.6399 1961.5385 106.9967 -205987.2914 17253.9165 0.0000 0.0000 34483.2052 -149363.3629 301.1504 -183846.5681 -149270.4469 299.5999 -437.9608 -405.0885 558398.3456 1.5383 1.6066 PRESSURE: 2540600 -106.404 154.985 -80.2409 154.984 184.546 -41.6083 -80.2404 -41.6069 84.6755 GPRESSURE: 2540600 -55.1533 201.522 -100.179 130.029 194.361 1.96412 -64.3654 -71.1851 122.398 PRESSAVG: 2540600 -23.2119 -17.7316 13.742 -17.7316 29.6276 -20.8273 13.7419 -20.8272 -15.7324 GPRESSAVG: 2540600 -22.9988 -16.7342 12.8777 -15.7053 28.093 -19.9176 14.2328 -22.53 -14.0224 TIMING: 2540600 CPU: 7372.67, 0.00287662/step Wall: 7372.67, 0.00287662/step, 1.96521 hours remaining, 206.335938 MB of memory in use. ENERGY: 2540600 728.0378 2060.6497 1959.5311 111.5926 -206538.7621 18062.3711 0.0000 0.0000 34263.8784 -149352.7014 299.2350 -183616.5798 -149253.9302 299.5069 54.2724 87.2019 558194.4964 -3.1055 -2.9761 PRESSURE: 2540800 46.5415 16.0645 82.1717 16.0644 -146.277 -96.9056 82.1718 -96.9054 23.1817 GPRESSURE: 2540800 76.8479 -17.7712 20.496 48.7813 -130.908 -61.8501 205.049 -84.7812 85.9791 PRESSAVG: 2540800 -15.524 31.0263 71.9357 31.0262 -38.0962 -20.7817 71.9358 -20.7817 39.268 GPRESSAVG: 2540800 -16.0624 28.9666 72.4162 29.0523 -36.5414 -19.301 72.8279 -19.9942 38.7158 TIMING: 2540800 CPU: 7373.25, 0.00289193/step Wall: 7373.25, 0.00289193/step, 1.97551 hours remaining, 206.335938 MB of memory in use. ENERGY: 2540800 750.3317 2065.0218 1939.3684 104.4811 -206216.2253 17807.3094 0.0000 0.0000 34287.5862 -149262.1266 299.4420 -183549.7128 -149162.7896 299.1417 -25.5178 10.6397 558278.2970 -4.7841 -4.6293 PRESSURE: 2541000 -85.7004 -169.803 24.333 -169.803 9.78425 -79.4422 24.3345 -79.4436 -67.8724 GPRESSURE: 2541000 -45.1817 -208.422 46.2626 -113.854 28.3886 -33.434 -31.5269 -129.159 -27.0909 PRESSAVG: 2541000 -60.5975 -15.9869 28.7955 -15.9869 -20.5496 -17.851 28.7956 -17.8511 87.3274 GPRESSAVG: 2541000 -59.5582 -15.7221 29.4548 -13.5711 -21.0718 -20.1429 28.061 -17.1535 86.3949 TIMING: 2541000 CPU: 7373.83, 0.00289213/step Wall: 7373.83, 0.00289213/step, 1.97549 hours remaining, 206.460938 MB of memory in use. ENERGY: 2541000 717.3730 2129.9329 1955.3161 131.4816 -206079.9030 17652.0889 0.0000 0.0000 34356.1930 -149137.5175 300.0412 -183493.7105 -149047.0269 299.6295 -47.9295 -14.6280 556701.8497 2.0601 1.9217 PRESSURE: 2541200 -85.2097 -22.9871 -24.1111 -22.9873 87.0939 -22.3541 -24.1112 -22.3561 -13.7415 GPRESSURE: 2541200 -67.0406 55.3785 -10.812 -96.8574 74.2781 37.8679 -86.5402 0.363894 81.9474 PRESSAVG: 2541200 -36.3086 -17.3908 -39.4805 -17.3908 48.9089 -31.2801 -39.4805 -31.2801 49.3762 GPRESSAVG: 2541200 -35.7017 -15.1565 -41.5008 -18.741 49.3874 -30.8327 -39.893 -33.239 48.3986 TIMING: 2541200 CPU: 7374.41, 0.00289686/step Wall: 7374.41, 0.00289686/step, 1.97855 hours remaining, 206.460938 MB of memory in use. ENERGY: 2541200 728.9860 2071.6506 1994.2228 123.5454 -206453.7008 17812.2332 0.0000 0.0000 34484.7132 -149238.3496 301.1636 -183723.0627 -149136.7323 299.3799 -3.9524 29.7283 557657.3087 20.6588 20.6948 PRESSURE: 2541400 -243.951 42.2997 -61.6477 42.3008 99.385 -16.6571 -61.6468 -16.6565 -163.799 GPRESSURE: 2541400 -172.299 88.3423 -111.485 13.6475 115.987 -6.73233 -71.2742 57.8841 -153.218 PRESSAVG: 2541400 -43.1783 33.1273 14.9319 33.1273 -33.3911 31.8704 14.9318 31.8704 71.7932 GPRESSAVG: 2541400 -43.9154 32.2299 16.8228 33.0449 -34.2885 32.9151 14.6593 34.6455 73.0853 TIMING: 2541400 CPU: 7374.99, 0.00292099/step Wall: 7374.99, 0.00292099/step, 1.99488 hours remaining, 206.460938 MB of memory in use. ENERGY: 2541400 779.0514 2068.0717 1989.2288 123.3429 -206261.2608 17798.2924 0.0000 0.0000 34146.4091 -149356.8643 298.2091 -183503.2734 -149263.1704 299.0998 -102.7885 -69.8436 558951.0590 -1.5921 -1.7062 PRESSURE: 2541600 237.498 215.053 179.897 215.052 -19.4725 37.7217 179.896 37.7211 133.097 GPRESSURE: 2541600 206.3 279.435 184.575 149.991 18.7213 68.6743 115.81 5.44249 220.966 PRESSAVG: 2541600 22.1152 -17.4524 70.7945 -17.4524 7.72748 -65.5529 70.7945 -65.553 -28.199 GPRESSAVG: 2541600 19.9942 -17.0137 69.2914 -16.9471 8.94399 -67.2745 71.4814 -65.2896 -28.0342 TIMING: 2541600 CPU: 7375.57, 0.00291275/step Wall: 7375.57, 0.00291275/step, 1.98909 hours remaining, 206.460938 MB of memory in use. ENERGY: 2541600 724.1170 2063.4357 1976.3727 124.7335 -206527.8609 18059.1078 0.0000 0.0000 34165.3540 -149414.7402 298.3745 -183580.0942 -149323.4284 298.6984 117.0408 148.6626 556490.2106 0.5479 0.3013 PRESSURE: 2541800 53.6637 52.1093 -126.622 52.1087 93.4075 98.5004 -126.621 98.5002 355.005 GPRESSURE: 2541800 102.627 17.7872 -72.241 0.362297 117.021 68.197 -131.058 73.7484 388.781 PRESSAVG: 2541800 7.10063 41.0191 55.574 41.019 -18.9618 -19.3323 55.574 -19.3324 4.80353 GPRESSAVG: 2541800 8.93995 40.9595 54.1292 41.8789 -21.021 -17.8538 56.2735 -21.3278 4.28426 TIMING: 2541800 CPU: 7376.16, 0.00290953/step Wall: 7376.16, 0.00290953/step, 1.98672 hours remaining, 206.460938 MB of memory in use. ENERGY: 2541800 709.8246 2113.6002 1949.7397 117.3664 -206854.7612 17996.3836 0.0000 0.0000 34439.3595 -149528.4871 300.7675 -183967.8466 -149433.9813 298.7470 167.3587 202.8092 556186.1240 -2.3525 -2.5989 PRESSURE: 2542000 119.469 -26.3382 -21.5298 -26.3373 -142.635 70.809 -21.5296 70.8093 -47.0759 GPRESSURE: 2542000 183.213 -106.848 -66.4712 -9.91948 -99.1282 72.9295 61.7406 -15.7463 -59.4216 PRESSAVG: 2542000 10.2399 21.8916 0.649242 21.8916 17.4711 -9.20729 0.649124 -9.20734 -10.0305 GPRESSAVG: 2542000 8.99109 20.7179 2.63082 21.715 19.1301 -8.58389 -0.279369 -9.50313 -10.4134 TIMING: 2542000 CPU: 7376.74, 0.00289605/step Wall: 7376.74, 0.00289605/step, 1.97736 hours remaining, 206.460938 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: 2542000 729.9613 2019.0820 1974.1863 118.3690 -206475.8502 17787.8021 0.0000 0.0000 34304.7539 -149541.6957 299.5919 -183846.4496 -149436.7553 299.2861 -23.4140 8.2209 557062.4209 5.8935 5.9026 PRESSURE: 2542200 -347.059 -71.9992 104.7 -72.0004 -206.712 78.0596 104.7 78.0613 -427.731 GPRESSURE: 2542200 -378.676 18.3674 67.0676 -105.968 -146.219 63.1902 38.986 76.3216 -355.797 PRESSAVG: 2542200 -42.6188 -7.12236 12.0585 -7.12235 68.6413 -35.3897 12.0585 -35.3897 -3.22234 GPRESSAVG: 2542200 -42.0559 -7.41138 14.1232 -6.94158 67.7599 -36.3533 10.7373 -34.551 -2.90218 TIMING: 2542200 CPU: 7377.32, 0.00290312/step Wall: 7377.32, 0.00290312/step, 1.98202 hours remaining, 206.460938 MB of memory in use. ENERGY: 2542200 778.9399 2079.2473 1977.8217 123.5894 -205922.4517 17555.3905 0.0000 0.0000 33860.6325 -149546.8305 295.7133 -183407.4630 -149459.6079 298.4131 -327.1673 -293.5641 559182.1727 7.6001 7.6006 PRESSURE: 2542400 17.1552 -207.267 -76.0092 -207.266 83.1612 -52.3291 -76.0108 -52.3294 -89.7733 GPRESSURE: 2542400 37.4219 -242.251 2.17809 -113.711 101.414 53.9071 -133.759 -34.5662 -29.8548 PRESSAVG: 2542400 -0.840756 -14.6672 -23.7648 -14.6671 33.1011 -3.01926 -23.7649 -3.01931 -20.5075 GPRESSAVG: 2542400 -0.838206 -13.1655 -25.1781 -14.7162 33.6361 -4.21449 -21.0709 -0.640037 -21.2231 TIMING: 2542400 CPU: 7377.9, 0.00293256/step Wall: 7377.9, 0.00293256/step, 2.00196 hours remaining, 206.460938 MB of memory in use. ENERGY: 2542400 752.5035 2063.3122 1971.4306 123.3173 -206129.5428 17693.1706 0.0000 0.0000 34101.9068 -149423.9019 297.8204 -183525.8087 -149328.3514 298.7594 3.5143 36.3271 557225.9754 3.9176 3.8583 PRESSURE: 2542600 -125.356 9.23393 -22.55 9.23478 153.715 68.1 -22.5492 68.1008 -48.5658 GPRESSURE: 2542600 -84.9382 2.99275 -81.0528 48.1069 167.46 54.7149 -35.1281 49.3092 7.22833 PRESSAVG: 2542600 6.74623 10.3413 -7.00721 10.3412 74.5758 18.008 -7.00723 18.0079 -90.5006 GPRESSAVG: 2542600 6.51111 10.1072 -9.25801 10.8555 74.2733 18.8916 -7.02683 18.2819 -89.7562 TIMING: 2542600 CPU: 7378.48, 0.00290892/step Wall: 7378.48, 0.00290892/step, 1.98566 hours remaining, 206.460938 MB of memory in use. ENERGY: 2542600 711.7208 2093.3347 1974.3813 123.0549 -206010.3594 17679.8849 0.0000 0.0000 34077.0894 -149350.8933 297.6037 -183427.9828 -149249.8333 298.9224 -6.7354 29.9167 557112.0270 -3.0595 -2.9906 PRESSURE: 2542800 -181.601 -91.2451 -109.924 -91.2464 -159.351 -50.9813 -109.926 -50.9815 -264.039 GPRESSURE: 2542800 -77.6308 -78.9889 -12.4402 -55.7199 -147.066 -60.6467 -151.796 -57.078 -276.166 PRESSAVG: 2542800 -6.4469 -17.2891 -27.5898 -17.2892 75.6713 -23.1895 -27.5899 -23.1896 -37.7978 GPRESSAVG: 2542800 -6.3613 -16.6074 -24.0723 -18.345 76.1547 -23.5234 -27.3727 -24.1181 -38.9494 TIMING: 2542800 CPU: 7379.07, 0.00292618/step Wall: 7379.07, 0.00292618/step, 1.99728 hours remaining, 206.460938 MB of memory in use. ENERGY: 2542800 760.6987 2054.9406 1977.8269 108.0612 -205887.9162 17452.2747 0.0000 0.0000 34122.6317 -149411.4823 298.0014 -183534.1141 -149311.9249 299.0189 -201.6637 -166.9544 557833.6516 10.4755 10.2813 PRESSURE: 2543000 32.6759 26.1237 8.73476 26.1237 -96.9724 -182.29 8.73444 -182.289 -1.55827 GPRESSURE: 2543000 113.342 -32.8983 3.20648 78.9737 -98.4313 -145.467 7.73051 -170.707 10.6848 PRESSAVG: 2543000 52.2329 -26.4524 36.7535 -26.4525 -13.148 -52.9252 36.7536 -52.9252 -44.0266 GPRESSAVG: 2543000 52.439 -26.0989 33.3353 -25.1966 -13.6949 -52.0396 36.8083 -54.8182 -44.0521 TIMING: 2543000 CPU: 7379.65, 0.00289823/step Wall: 7379.65, 0.00289823/step, 1.97804 hours remaining, 206.460938 MB of memory in use. ENERGY: 2543000 782.4562 2045.6438 1951.8472 129.5121 -206554.9032 17862.3604 0.0000 0.0000 34217.5660 -149565.5175 298.8305 -183783.0835 -149472.2937 298.5394 -21.9516 8.5319 556418.9089 -1.6472 -1.7694 PRESSURE: 2543200 -47.7147 -73.5075 23.892 -73.5066 150.324 -61.4543 23.8925 -61.4539 23.5836 GPRESSURE: 2543200 -42.905 -96.2933 54.5554 -55.2228 208.955 -21.6925 87.357 -4.83065 54.4909 PRESSAVG: 2543200 -71.5066 -14.7679 27.5276 -14.768 5.57742 -55.195 27.5276 -55.1949 32.8719 GPRESSAVG: 2543200 -72.8787 -14.2209 30.2679 -15.7809 4.9135 -53.5646 25.7638 -54.3889 34.3893 TIMING: 2543200 CPU: 7380.23, 0.00289191/step Wall: 7380.23, 0.00289191/step, 1.97357 hours remaining, 206.460938 MB of memory in use. ENERGY: 2543200 751.1299 2109.6850 1974.5269 115.2350 -206677.9806 17849.6515 0.0000 0.0000 34293.2626 -149584.4897 299.4916 -183877.7523 -149487.6072 298.6310 42.0643 73.5136 556257.2251 -11.0191 -11.1920 PRESSURE: 2543400 29.06 -93.7833 -102.576 -93.7831 -312.58 -79.0334 -102.576 -79.0327 1.20756 GPRESSURE: 2543400 105.54 -137.251 -138.149 -56.3551 -250.732 -129.215 -153.918 -7.67367 -36.5816 PRESSAVG: 2543400 36.6605 -27.0471 22.0468 -27.047 45.1909 -3.84607 22.0468 -3.84602 -50.2124 GPRESSAVG: 2543400 36.6734 -28.7788 21.6569 -25.7261 45.2805 -7.12485 21.71 -4.17406 -50.3194 TIMING: 2543400 CPU: 7380.81, 0.00289311/step Wall: 7380.81, 0.00289311/step, 1.97422 hours remaining, 206.460938 MB of memory in use. ENERGY: 2543400 761.1339 2189.7185 1976.7414 112.8419 -206545.8412 17851.2601 0.0000 0.0000 34236.4945 -149417.6509 298.9958 -183654.1454 -149321.4191 298.5382 -94.1040 -60.5914 556345.5703 10.5464 10.5448 PRESSURE: 2543600 -181.22 95.371 -115.84 95.3713 -296.398 -139.327 -115.839 -139.327 -199.544 GPRESSURE: 2543600 -176.963 55.3398 -69.3777 65.8078 -226.36 -107.424 -97.3255 -141.921 -183.329 PRESSAVG: 2543600 41.3548 1.83468 -22.078 1.83458 -28.5124 -4.61086 -22.078 -4.61081 -1.73485 GPRESSAVG: 2543600 41.1513 3.81057 -21.7401 -1.21641 -28.8008 -1.19176 -21.2345 -5.32782 -1.97029 TIMING: 2543600 CPU: 7381.38, 0.00289479/step Wall: 7381.38, 0.00289479/step, 1.97521 hours remaining, 206.460938 MB of memory in use. ENERGY: 2543600 762.4890 2170.9610 1947.2494 101.9623 -206060.6348 17409.5937 0.0000 0.0000 34426.3923 -149241.9871 300.6542 -183668.3794 -149150.1809 298.6529 -225.7207 -195.5507 556563.6712 3.7025 3.4601 PRESSURE: 2543800 121.232 -92.39 -64.974 -92.3895 140.072 -12.3116 -64.9743 -12.3111 -26.0408 GPRESSURE: 2543800 193.782 -89.7326 -98.1749 -46.1237 152.99 -88.558 -66.9855 8.47398 -8.29221 PRESSAVG: 2543800 -19.467 2.10073 51.7452 2.10078 7.80537 12.9449 51.7453 12.9449 14.7058 GPRESSAVG: 2543800 -19.1601 1.26929 49.6373 3.24429 7.64969 9.96793 52.6234 13.0263 14.1059 TIMING: 2543800 CPU: 7381.97, 0.00290376/step Wall: 7381.97, 0.00290376/step, 1.98117 hours remaining, 206.460938 MB of memory in use. ENERGY: 2543800 717.5593 2068.5126 1964.9842 107.2427 -206186.0719 17797.1409 0.0000 0.0000 34271.1142 -149259.5179 299.2982 -183530.6322 -149157.7437 299.4485 78.4210 112.8264 556330.7836 1.0147 0.8652 PRESSURE: 2544000 75.5549 133.965 -66.4875 133.964 -132.986 -78.9645 -66.4879 -78.9652 -143.484 GPRESSURE: 2544000 85.8563 213.598 -57.5041 57.8947 -113.307 -117.704 -20.3836 -103.445 -77.836 PRESSAVG: 2544000 44.572 23.8606 32.0499 23.8606 -16.1314 5.33017 32.0499 5.33017 -14.6142 GPRESSAVG: 2544000 43.7516 23.605 33.1424 24.5791 -15.9104 6.19743 29.8877 5.80941 -14.642 TIMING: 2544000 CPU: 7382.55, 0.00290258/step Wall: 7382.55, 0.00290258/step, 1.9802 hours remaining, 206.531250 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: 2544000 726.0795 2091.7948 1971.1002 103.7745 -206041.9187 17767.8651 0.0000 0.0000 34119.2113 -149262.0932 297.9716 -183381.3046 -149166.6347 299.2269 -66.9716 -35.0957 558428.3656 4.6088 4.3997 PRESSURE: 2544200 -140.038 -156.672 -44.1547 -156.671 -219.206 -56.0167 -44.1543 -56.0166 -237.364 GPRESSURE: 2544200 -100.864 -276.906 -17.2884 -56.3711 -185.365 11.3251 -63.3197 -65.407 -213.664 PRESSAVG: 2544200 -6.23124 -15.2955 19.1357 -15.2955 -21.974 -55.6576 19.1358 -55.6577 32.4884 GPRESSAVG: 2544200 -6.07928 -15.8924 18.0479 -15.7066 -21.5957 -54.2006 21.0511 -54.9181 32.5471 TIMING: 2544200 CPU: 7383.13, 0.00290137/step Wall: 7383.13, 0.00290137/step, 1.97922 hours remaining, 206.531250 MB of memory in use. ENERGY: 2544200 774.9404 2086.9297 1965.5187 129.0700 -205810.4795 17615.4012 0.0000 0.0000 34084.0134 -149154.6061 297.6642 -183238.6195 -149061.9652 299.7843 -198.8691 -166.6311 558824.8155 1.4277 1.6240 LDB: ============= START OF LOAD BALANCING ============== 7386.59 LDB: ============== END OF LOAD BALANCING =============== 7386.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7386.59 LDB: ============= START OF LOAD BALANCING ============== 7386.89 LDB: Largest compute 4821 load 0.030346 is 25.8% of average load 0.117807 LDB: Average compute 0.001717 is 1.5% of average load 0.117807 LDB: TIME 7386.89 LOAD: AVG 0.117807 MAX 0.176179 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 7386.89 LOAD: AVG 0.117807 MAX 0.176179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.176 MB LDB: TIME 7386.89 LOAD: AVG 0.117807 MAX 0.176179 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7386.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7386.89 PRESSURE: 2544400 138.766 -160.023 -50.9305 -160.023 -191.208 148.95 -50.9309 148.951 4.32395 GPRESSURE: 2544400 203.828 -114.088 -134.032 -175.57 -169.13 204.673 -103.672 44.6349 20.1184 PRESSAVG: 2544400 53.5152 3.28777 -5.20219 3.28775 -59.8126 -17.0756 -5.20229 -17.0757 24.1667 GPRESSAVG: 2544400 55.195 2.27768 -5.27328 3.75328 -61.3733 -18.8677 -5.20776 -17.7308 24.256 TIMING: 2544400 CPU: 7383.72, 0.00296115/step Wall: 7383.72, 0.00296115/step, 2.01984 hours remaining, 207.160156 MB of memory in use. ENERGY: 2544400 735.9772 2069.4068 1965.4087 106.8056 -206252.6895 17853.2326 0.0000 0.0000 34211.9053 -149309.9533 298.7811 -183521.8587 -149213.7250 299.2958 -16.0394 18.2720 557609.5604 5.9565 6.0259 PRESSURE: 2544600 246.493 21.6647 86.5744 21.6644 113.557 -3.34631 86.5744 -3.34596 257.244 GPRESSURE: 2544600 241.179 6.75591 82.0257 6.34621 177.149 -12.699 121.984 -60.8775 286.086 PRESSAVG: 2544600 31.3898 7.60097 54.6899 7.60091 -16.9539 14.4808 54.6899 14.4808 8.48677 GPRESSAVG: 2544600 29.7005 7.90874 55.3833 6.88555 -15.3364 15.1252 52.2941 14.6609 8.89157 TIMING: 2544600 CPU: 7384.3, 0.00289447/step Wall: 7384.3, 0.00289447/step, 1.97419 hours remaining, 207.363281 MB of memory in use. ENERGY: 2544600 743.7799 2018.5178 1951.7010 119.8850 -206403.6899 17984.9283 0.0000 0.0000 34493.7461 -149091.1319 301.2425 -183584.8780 -148995.8358 298.9547 205.7646 234.8047 556897.1110 7.6409 7.7519 PRESSURE: 2544800 68.5071 83.9136 -1.62751 83.9129 -448.532 -133.645 -1.62802 -133.645 -65.9796 GPRESSURE: 2544800 88.7275 69.4286 -79.4662 169.226 -414.106 -106.008 4.95267 -131.564 -13.7625 PRESSAVG: 2544800 16.4294 -22.3323 -33.817 -22.3324 -66.3792 -1.83862 -33.8169 -1.83866 35.7603 GPRESSAVG: 2544800 16.7831 -21.9297 -35.5328 -22.1251 -66.1308 -0.49774 -32.0738 -2.96942 35.8534 TIMING: 2544800 CPU: 7384.88, 0.00289291/step Wall: 7384.88, 0.00289291/step, 1.97296 hours remaining, 207.363281 MB of memory in use. ENERGY: 2544800 736.9207 2105.5649 1954.4690 112.1217 -205772.5432 17513.5894 0.0000 0.0000 34343.3175 -149006.5599 299.9287 -183349.8774 -148907.5723 299.5418 -148.6682 -113.0471 559196.2759 -4.7298 -4.4981 PRESSURE: 2545000 237.377 79.0971 -15.9303 79.0937 72.3178 -210.934 -15.9298 -210.934 -23.7165 GPRESSURE: 2545000 241.091 85.7262 9.27619 46.7747 129.448 -127.078 52.4312 -195.886 19.9044 PRESSAVG: 2545000 31.6773 40.338 50.1875 40.3379 -24.1196 -69.0848 50.1875 -69.0849 -5.84911 GPRESSAVG: 2545000 31.137 40.4373 52.2679 39.0315 -24.4455 -69.2472 50.6525 -68.8506 -5.66629 TIMING: 2545000 CPU: 7385.46, 0.00290199/step Wall: 7385.46, 0.00290199/step, 1.979 hours remaining, 207.363281 MB of memory in use. ENERGY: 2545000 710.8657 2143.5489 1952.8214 97.9549 -206002.3390 18030.6401 0.0000 0.0000 34238.5259 -148827.9821 299.0136 -183066.5080 -148727.6822 300.2008 95.3260 130.1478 560456.8319 0.5695 0.3417 PRESSURE: 2545200 -208.258 -87.7178 -60.8272 -87.7189 -162.978 -54.5616 -60.8264 -54.5606 151.259 GPRESSURE: 2545200 -172.474 -102.664 -139.636 -119.402 -99.507 -39.9341 3.46548 -47.1545 153.909 PRESSAVG: 2545200 -2.33749 -46.5917 -35.0573 -46.5917 -10.9221 -80.4776 -35.0573 -80.4776 20.3727 GPRESSAVG: 2545200 -1.4827 -46.068 -36.1506 -45.6844 -10.5424 -82.8193 -34.7099 -79.1083 18.9049 TIMING: 2545200 CPU: 7386.04, 0.00292218/step Wall: 7386.04, 0.00292218/step, 1.9926 hours remaining, 207.566406 MB of memory in use. ENERGY: 2545200 753.2845 2061.7014 1966.2798 106.9093 -205859.9927 17741.6070 0.0000 0.0000 34248.1537 -148982.0571 299.0976 -183230.2108 -148890.3336 299.7457 -73.3257 -39.3572 559332.1515 2.3710 2.2933 PRESSURE: 2545400 -198.558 22.212 -37.1174 22.2114 -118.356 -104.762 -37.1184 -104.763 53.6762 GPRESSURE: 2545400 -150.672 11.0798 -11.4232 65.4016 -120.832 -164.447 -36.5579 -128.96 89.0164 PRESSAVG: 2545400 -90.5982 -20.7951 0.994351 -20.7951 15.6438 -32.9439 0.994238 -32.9439 114.056 GPRESSAVG: 2545400 -91.2711 -22.3248 3.18351 -22.5556 15.2246 -32.6619 -0.516904 -33.4527 114.899 TIMING: 2545400 CPU: 7386.62, 0.00289809/step Wall: 7386.62, 0.00289809/step, 1.97602 hours remaining, 207.566406 MB of memory in use. ENERGY: 2545400 747.4123 2102.7497 1974.0326 123.7997 -205820.4492 17651.3036 0.0000 0.0000 34205.9616 -149015.1897 298.7292 -183221.1513 -148918.2038 299.7418 -87.7461 -60.8291 557660.6764 13.0338 12.9508 PRESSURE: 2545600 87.492 -8.6278 10.3127 -8.62731 -67.5032 -109.722 10.3132 -109.721 -75.2614 GPRESSURE: 2545600 119.892 -11.4645 -64.6612 38.5344 -42.5846 -65.2521 92.4879 -90.1043 -48.5153 PRESSAVG: 2545600 -43.2836 -3.57213 -60.8367 -3.57213 -5.24748 -62.1265 -60.8368 -62.1265 29.7638 GPRESSAVG: 2545600 -43.4328 -2.067 -62.4588 -0.795615 -5.73258 -61.1517 -58.5008 -62.2284 30.5693 TIMING: 2545600 CPU: 7387.2, 0.00289078/step Wall: 7387.2, 0.00289078/step, 1.97087 hours remaining, 207.566406 MB of memory in use. ENERGY: 2545600 699.8529 2095.8472 1976.0430 117.7972 -205865.4653 17713.2406 0.0000 0.0000 34314.8367 -148947.8477 299.6800 -183262.6843 -148845.3683 299.5826 -18.4242 9.5972 558313.4591 -6.2558 -6.1987 PRESSURE: 2545800 -46.8829 -133.507 5.85987 -133.507 -370.368 -6.67495 5.85969 -6.67357 -267.619 GPRESSURE: 2545800 -11.7 -123.697 110.987 -159.386 -325.605 -26.7648 -19.5095 -58.2405 -257.417 PRESSAVG: 2545800 22.0438 42.2235 -20.8025 42.2236 10.3973 -44.9302 -20.8025 -44.9303 -30.3985 GPRESSAVG: 2545800 21.6764 41.9063 -19.0076 39.1781 11.6627 -43.7266 -20.8975 -44.3468 -31.1918 TIMING: 2545800 CPU: 7387.78, 0.00289904/step Wall: 7387.78, 0.00289904/step, 1.97634 hours remaining, 207.566406 MB of memory in use. ENERGY: 2545800 762.1425 2071.2268 1981.1628 124.2566 -205364.5076 17297.4704 0.0000 0.0000 34076.0074 -149052.2412 297.5942 -183128.2486 -148964.0254 299.5421 -228.2901 -198.2407 558256.2838 0.6809 0.7158 PRESSURE: 2546000 -240.496 25.551 128.728 25.5526 38.2107 -86.116 128.73 -86.1167 -96.851 GPRESSURE: 2546000 -218.472 64.6095 109.292 -35.4298 46.2981 -98.5432 107.493 -49.8704 -23.5626 PRESSAVG: 2546000 10.0542 10.1718 -49.0197 10.1719 46.8005 27.5536 -49.0196 27.5537 -8.92377 GPRESSAVG: 2546000 10.3886 10.0774 -50.1026 12.6522 46.3224 27.0202 -49.3002 28.0271 -8.86525 TIMING: 2546000 CPU: 7388.36, 0.00290387/step Wall: 7388.36, 0.00290387/step, 1.97947 hours remaining, 207.566406 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: 2546000 758.7298 2092.0978 1937.1867 124.7823 -206106.0326 17666.2363 0.0000 0.0000 34322.3429 -149204.6568 299.7456 -183526.9997 -149107.3218 299.1821 -99.7122 -65.2454 557904.2300 15.9770 15.9486 PRESSURE: 2546200 97.6936 199.007 -83.3095 199.008 -30.5977 194.828 -83.3104 194.828 250.044 GPRESSURE: 2546200 155.151 128.733 -118.444 337.078 -27.0713 123.64 -108.708 150.808 297.425 PRESSAVG: 2546200 1.60145 26.3325 1.43938 26.3324 -5.1728 46.5014 1.43945 46.5012 -21.8791 GPRESSAVG: 2546200 1.51066 25.9374 0.705417 25.1986 -5.25485 44.3733 0.582007 46.9637 -21.1129 TIMING: 2546200 CPU: 7388.94, 0.00289041/step Wall: 7388.94, 0.00289041/step, 1.97014 hours remaining, 207.765625 MB of memory in use. ENERGY: 2546200 684.7990 2076.5883 1973.0446 100.9634 -205912.5722 17722.9540 0.0000 0.0000 34187.4041 -149166.8187 298.5671 -183354.2228 -149062.2146 299.2952 105.7134 141.8349 556361.2314 -8.4835 -8.2857 PRESSURE: 2546400 -370.319 6.19544 -232.735 6.19508 -366.372 170.603 -232.735 170.605 -343.084 GPRESSURE: 2546400 -362.007 92.153 -94.2114 -24.2647 -333.113 192.862 -330.746 124.383 -280.799 PRESSAVG: 2546400 -5.55894 3.04241 -9.06506 3.04239 -16.0743 16.8591 -9.06503 16.8591 43.6944 GPRESSAVG: 2546400 -4.79603 4.50708 -8.47526 0.621872 -15.1839 18.0297 -7.8569 18.4198 42.2075 TIMING: 2546400 CPU: 7389.52, 0.0028905/step Wall: 7389.52, 0.0028905/step, 1.97004 hours remaining, 207.765625 MB of memory in use. ENERGY: 2546400 751.0004 2058.3660 1961.5434 115.2823 -205398.0209 17263.1623 0.0000 0.0000 34040.5524 -149208.1140 297.2846 -183248.6664 -149123.2128 299.0424 -359.9253 -325.3065 559116.8559 7.3537 7.4092 PRESSURE: 2546600 -114.574 -71.1556 166.353 -71.1563 146.525 88.8556 166.353 88.8564 -38.8865 GPRESSURE: 2546600 -113.887 -63.1778 145.599 -75.8448 182.722 74.7081 161.27 95.9258 8.45443 PRESSAVG: 2546600 -41.5851 -25.7449 26.8193 -25.7449 42.7761 59.7716 26.8193 59.7716 1.63475 GPRESSAVG: 2546600 -40.7764 -25.9149 26.0321 -23.6604 42.0184 60.6822 27.0736 57.4187 2.20487 TIMING: 2546600 CPU: 7390.09, 0.00287972/step Wall: 7390.09, 0.00287972/step, 1.96253 hours remaining, 207.765625 MB of memory in use. ENERGY: 2546600 731.8536 2008.0033 1933.9116 115.0430 -206303.6684 17839.0442 0.0000 0.0000 34296.6182 -149379.1945 299.5209 -183675.8127 -149284.1067 298.1434 -2.3119 25.7629 557334.0219 0.9419 1.1490 PRESSURE: 2546800 -283.634 6.08947 123.292 6.09074 -230.704 32.786 123.292 32.7852 -290.401 GPRESSURE: 2546800 -253.054 51.1053 155.305 20.9935 -167.29 49.1924 76.7643 -2.6635 -285.025 PRESSAVG: 2546800 59.0047 -25.1511 11.2446 -25.1512 -40.7154 20.1834 11.2445 20.1834 2.95081 GPRESSAVG: 2546800 58.8276 -24.1513 10.7613 -23.8399 -39.859 21.7996 12.4054 20.2055 2.39807 TIMING: 2546800 CPU: 7390.67, 0.00288742/step Wall: 7390.67, 0.00288742/step, 1.96762 hours remaining, 207.765625 MB of memory in use. ENERGY: 2546800 767.6312 2054.6217 1945.5408 105.2042 -206071.2765 17639.1816 0.0000 0.0000 34113.1820 -149445.9149 297.9189 -183559.0969 -149345.4362 298.6456 -268.2463 -235.1229 557998.3250 7.0801 7.1222 PRESSURE: 2547000 -24.2664 150.482 48.3127 150.482 -185.397 -158.964 48.3121 -158.963 23.2868 GPRESSURE: 2547000 47.4531 118.494 -35.8593 110.025 -192.426 -132.716 45.8505 -167.423 58.025 PRESSAVG: 2547000 65.2086 40.4285 24.7471 40.4284 -44.6779 -8.46776 24.7471 -8.46773 -24.4771 GPRESSAVG: 2547000 63.7948 39.2594 24.6174 38.2705 -45.4265 -8.22672 22.58 -9.92177 -22.6568 TIMING: 2547000 CPU: 7391.25, 0.00291608/step Wall: 7391.25, 0.00291608/step, 1.98698 hours remaining, 207.765625 MB of memory in use. ENERGY: 2547000 738.6699 2108.6942 1943.6112 105.7405 -206292.9579 17843.0138 0.0000 0.0000 34260.5160 -149292.7123 299.2056 -183553.2283 -149206.0653 298.8367 -62.1255 -28.9828 558468.5105 -1.3155 -1.4295 PRESSURE: 2547200 -85.3997 -1.60283 105.725 -1.6041 -86.2477 128.275 105.725 128.275 -258.781 GPRESSURE: 2547200 -72.4634 62.2871 166.456 -34.4334 -61.85 189.699 128.404 51.1099 -195.846 PRESSAVG: 2547200 27.8904 -16.0874 -8.95088 -16.0875 -47.8343 -28.6073 -8.95087 -28.6072 23.7034 GPRESSAVG: 2547200 29.4406 -18.2755 -7.82577 -14.9319 -48.7099 -29.6466 -9.45005 -27.6184 22.9321 TIMING: 2547200 CPU: 7391.83, 0.00290981/step Wall: 7391.83, 0.00290981/step, 1.98255 hours remaining, 207.765625 MB of memory in use. ENERGY: 2547200 742.5626 2038.7464 1934.0496 127.7759 -206113.5863 17677.9406 0.0000 0.0000 34318.9228 -149273.5883 299.7157 -183592.5111 -149171.4151 299.2678 -143.4760 -110.0532 557086.2060 1.2532 1.2209 PRESSURE: 2547400 87.7323 30.609 12.1748 30.6093 97.7799 245.791 12.1744 245.792 138.381 GPRESSURE: 2547400 138.312 50.0109 49.0773 62.9927 83.7126 262.379 33.1258 226.383 189.648 PRESSAVG: 2547400 48.0863 -26.3251 7.93547 -26.3251 -48.8374 23.0843 7.93543 23.0843 0.440024 GPRESSAVG: 2547400 47.275 -24.8383 8.46751 -25.5384 -47.9488 23.5231 8.43291 21.6125 0.784935 TIMING: 2547400 CPU: 7392.42, 0.00291731/step Wall: 7392.42, 0.00291731/step, 1.9875 hours remaining, 207.765625 MB of memory in use. ENERGY: 2547400 753.3340 2070.2668 1942.9586 120.4419 -206424.5493 18050.2660 0.0000 0.0000 34211.5014 -149275.7805 298.7776 -183487.2819 -149181.3668 298.6620 107.9645 137.2240 555927.0258 -0.1037 0.0370 PRESSURE: 2547600 -121.092 12.904 -98.3723 12.9028 76.8098 33.805 -98.371 33.8058 -29.1971 GPRESSURE: 2547600 -52.8394 -57.7197 -138.377 91.0125 72.1267 39.6471 17.9631 55.177 6.23739 PRESSAVG: 2547600 97.2012 9.86036 -12.0611 9.86039 -30.7856 -20.8106 -12.0612 -20.8106 6.17256 GPRESSAVG: 2547600 97.7934 10.4433 -12.2542 9.01842 -29.9659 -19.7072 -11.6334 -20.5674 4.23575 TIMING: 2547600 CPU: 7393, 0.0029211/step Wall: 7393, 0.00292111/step, 1.98992 hours remaining, 207.765625 MB of memory in use. ENERGY: 2547600 768.6984 2122.2146 1943.7979 121.5193 -206064.2189 17718.4377 0.0000 0.0000 34153.2112 -149236.3397 298.2685 -183389.5509 -149141.3684 298.3334 -24.4930 8.5082 556859.5118 24.1961 24.0211 PRESSURE: 2547800 152.481 172.86 -102.639 172.859 151.91 50.1458 -102.641 50.1455 135.11 GPRESSURE: 2547800 229.493 97.0471 -99.129 197.315 182.624 115.121 -249.077 10.4827 124.461 PRESSAVG: 2547800 61.1864 46.6321 -13.8142 46.6321 -16.8996 37.8408 -13.8142 37.8408 -41.2425 GPRESSAVG: 2547800 60.6567 45.915 -12.8301 48.3198 -16.7128 36.8387 -15.0859 36.7777 -41.1165 TIMING: 2547800 CPU: 7393.58, 0.00290898/step Wall: 7393.58, 0.00290898/step, 1.9815 hours remaining, 207.765625 MB of memory in use. ENERGY: 2547800 698.8991 2112.3776 1986.0953 106.0745 -206587.1992 18127.5357 0.0000 0.0000 34373.9708 -149182.2463 300.1964 -183556.2170 -149083.6552 299.1896 146.5004 178.8593 559235.4239 1.0148 0.9425 PRESSURE: 2548000 -62.7567 56.8202 75.3091 56.8211 260.981 24.6574 75.3092 24.6561 97.3581 GPRESSURE: 2548000 -3.78436 -11.4674 3.6735 122.396 293.329 -21.85 95.113 13.4115 92.5827 PRESSAVG: 2548000 58.2478 -18.9799 -43.9773 -18.9798 -52.8613 14.0234 -43.9775 14.0235 -3.1722 GPRESSAVG: 2548000 57.8332 -17.7391 -45.4128 -20.6783 -53.0358 13.2743 -42.6337 14.8873 -1.93731 TIMING: 2548000 CPU: 7394.16, 0.00290258/step Wall: 7394.16, 0.00290258/step, 1.97698 hours remaining, 207.765625 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: 2548000 755.5325 2064.6678 1955.1759 119.0862 -206380.4890 18057.1282 0.0000 0.0000 34438.3466 -148990.5519 300.7586 -183428.8985 -148894.9218 299.8635 98.5275 127.3759 558787.5519 0.7381 0.9534 PRESSURE: 2548200 -155.835 56.8056 -71.4421 56.8045 85.527 -1.61325 -71.4428 -1.61229 -282.181 GPRESSURE: 2548200 -141.742 191.006 -107.82 -17.1324 127.986 18.1689 -23.6761 -36.1163 -232.73 PRESSAVG: 2548200 51.8725 -16.6873 -18.1509 -16.6872 -52.2588 59.3952 -18.1508 59.3952 -42.4174 GPRESSAVG: 2548200 51.5229 -16.7551 -20.3435 -16.4029 -53.3223 59.0567 -15.3222 58.7684 -41.1711 TIMING: 2548200 CPU: 7394.74, 0.00289133/step Wall: 7394.74, 0.00289133/step, 1.96915 hours remaining, 207.765625 MB of memory in use. ENERGY: 2548200 756.9387 2078.3707 1953.7963 104.3031 -205917.8129 17741.8590 0.0000 0.0000 34133.3576 -149149.1876 298.0951 -183282.5452 -149059.2342 299.2714 -117.4963 -82.1622 558239.4641 -14.2679 -14.3235 LDB: ============= START OF LOAD BALANCING ============== 7398.21 LDB: ============== END OF LOAD BALANCING =============== 7398.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7398.21 LDB: ============= START OF LOAD BALANCING ============== 7398.5 LDB: Largest compute 4821 load 0.028994 is 24.6% of average load 0.117803 LDB: Average compute 0.001721 is 1.5% of average load 0.117803 LDB: TIME 7398.5 LOAD: AVG 0.117803 MAX 0.178591 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 7398.5 LOAD: AVG 0.117803 MAX 0.178591 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: TIME 7398.5 LOAD: AVG 0.117803 MAX 0.178591 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7398.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7398.51 PRESSURE: 2548400 -382.788 -26.0705 55.2713 -26.0703 -45.7773 185.831 55.2708 185.832 -71.7331 GPRESSURE: 2548400 -348.818 -35.2762 38.7535 35.2918 -18.9972 186.02 77.4032 156.204 -41.4263 PRESSAVG: 2548400 -3.05455 -43.8328 5.06679 -43.8328 51.8176 15.9991 5.06673 15.999 -23.7303 GPRESSAVG: 2548400 -2.70171 -42.4636 9.13648 -45.5722 52.1845 15.1907 1.06988 16.4291 -24.6623 TIMING: 2548400 CPU: 7395.33, 0.00295817/step Wall: 7395.33, 0.00295817/step, 2.01452 hours remaining, 207.152344 MB of memory in use. ENERGY: 2548400 773.8138 2185.8009 1953.3697 120.5498 -205721.9294 17543.2866 0.0000 0.0000 34079.5394 -149065.5693 297.6251 -183145.1086 -148972.5388 298.7339 -166.7661 -136.4140 558904.1169 8.3443 8.2735 PRESSURE: 2548600 194.348 73.9702 48.6119 73.9696 31.3266 25.208 48.6119 25.2091 145.236 GPRESSURE: 2548600 199.275 68.3169 75.3204 93.0382 99.8172 51.0687 -0.285625 -35.5214 156.919 PRESSAVG: 2548600 -3.35218 -35.6111 1.15998 -35.6111 8.46504 30.0386 1.15997 30.0384 -53.9795 GPRESSAVG: 2548600 -3.36518 -36.3977 -2.11325 -33.2841 8.52395 30.9811 3.81305 29.7825 -54.2506 TIMING: 2548600 CPU: 7395.91, 0.0029012/step Wall: 7395.91, 0.0029012/step, 1.97556 hours remaining, 207.355469 MB of memory in use. ENERGY: 2548600 757.2261 2098.9764 1983.2464 126.4636 -206654.2855 17942.4459 0.0000 0.0000 34597.1223 -149148.8049 302.1453 -183745.9271 -149043.3764 298.7011 123.6367 152.0036 556390.9088 -16.2889 -16.3639 PRESSURE: 2548800 41.0653 -37.1296 -106.322 -37.1285 163.84 75.0385 -106.323 75.0386 134.837 GPRESSURE: 2548800 99.9643 -66.8266 -70.5474 -115.087 212.383 90.6161 -141.516 92.8855 133.788 PRESSAVG: 2548800 24.0541 45.9133 -12.4934 45.9133 -40.1442 3.24387 -12.4933 3.24399 -8.31934 GPRESSAVG: 2548800 24.8301 44.8961 -11.149 44.9588 -39.4863 3.02797 -14.0869 3.95657 -9.4282 TIMING: 2548800 CPU: 7396.49, 0.00290102/step Wall: 7396.49, 0.00290102/step, 1.97527 hours remaining, 207.355469 MB of memory in use. ENERGY: 2548800 727.8065 2101.8679 1997.8678 107.3772 -206513.1119 17892.2240 0.0000 0.0000 34366.6905 -149319.2780 300.1329 -183685.9685 -149225.2052 299.3675 113.2476 148.7119 557097.8817 -8.1365 -8.0281 PRESSURE: 2549000 151.937 -54.9039 77.2156 -54.903 -97.0216 -114.139 77.216 -114.137 -124.683 GPRESSURE: 2549000 201.581 -58.9441 25.226 30.2987 -68.8941 -49.1103 72.6747 -106.61 -97.2718 PRESSAVG: 2549000 86.8477 -37.8441 -15.5286 -37.8442 30.6538 -14.1035 -15.5286 -14.1035 -42.8366 GPRESSAVG: 2549000 85.7133 -39.4954 -15.8175 -37.4748 31.0967 -12.6687 -14.0857 -15.3762 -42.0343 TIMING: 2549000 CPU: 7397.07, 0.00288991/step Wall: 7397.07, 0.00288991/step, 1.96755 hours remaining, 207.433594 MB of memory in use. ENERGY: 2549000 752.7929 2076.6676 1981.6045 120.9355 -206234.8223 17835.4725 0.0000 0.0000 34156.4967 -149310.8526 298.2972 -183467.3493 -149212.0208 299.2843 -23.2560 11.8049 557504.8781 24.8883 24.9252 PRESSURE: 2549200 -78.5603 -83.7939 35.5801 -83.7943 168.156 -221.761 35.5804 -221.76 161.988 GPRESSURE: 2549200 -28.4759 -67.6387 97.6695 -139.572 153.363 -213.937 0.854918 -224.288 230.003 PRESSAVG: 2549200 -22.2815 -1.51308 -12.9922 -1.51317 0.320099 -49.266 -12.9922 -49.2658 -12.1634 GPRESSAVG: 2549200 -20.4895 2.05838 -12.2676 -1.61009 -0.870265 -50.9406 -13.9864 -48.8905 -11.8709 TIMING: 2549200 CPU: 7397.65, 0.00289374/step Wall: 7397.65, 0.00289374/step, 1.97 hours remaining, 207.433594 MB of memory in use. ENERGY: 2549200 723.6909 2138.5850 1967.3636 114.0778 -206518.1781 17919.0902 0.0000 0.0000 34230.8590 -149424.5116 298.9466 -183655.3706 -149323.4035 298.5961 83.8612 118.2968 555680.2556 -11.3749 -11.0769 PRESSURE: 2549400 -270.422 -135.618 -83.0436 -135.618 -448.101 105.521 -83.0448 105.521 -286.248 GPRESSURE: 2549400 -230.971 -140.46 -179.048 -123.344 -430.581 122.044 12.7637 95.5059 -247.758 PRESSAVG: 2549400 -62.973 -6.08731 -23.9161 -6.08734 -13.5278 7.31449 -23.9161 7.31446 79.8751 GPRESSAVG: 2549400 -63.4648 -6.87477 -25.0702 -7.37003 -13.537 7.37506 -24.2713 8.14749 80.7109 TIMING: 2549400 CPU: 7398.22, 0.00286271/step Wall: 7398.22, 0.00286271/step, 1.94871 hours remaining, 207.433594 MB of memory in use. ENERGY: 2549400 808.4885 2082.6207 1944.8159 112.8616 -205617.4991 17311.7122 0.0000 0.0000 33994.1413 -149362.8588 296.8793 -183357.0002 -149262.6852 298.3055 -334.9237 -303.1036 557750.5831 1.1248 1.2364 PRESSURE: 2549600 -92.7157 168.55 27.4263 168.55 134.158 150.445 27.4263 150.444 -60.725 GPRESSURE: 2549600 -74.5415 127.23 35.1024 144.919 180.829 102.293 114.645 185.591 -32.6747 PRESSAVG: 2549600 -55.9357 -6.31806 -32.9264 -6.31794 41.7917 -29.9709 -32.9264 -29.971 5.107 GPRESSAVG: 2549600 -56.6728 -7.65663 -33.5097 -7.11624 44.2461 -31.6861 -32.1554 -28.4194 3.34619 TIMING: 2549600 CPU: 7398.8, 0.00289183/step Wall: 7398.8, 0.00289183/step, 1.96837 hours remaining, 207.433594 MB of memory in use. ENERGY: 2549600 788.0350 2093.9863 1947.4959 123.0343 -206484.6165 17992.3666 0.0000 0.0000 34269.9332 -149269.7652 299.2879 -183539.6984 -149168.8749 298.7654 -6.4276 24.5377 557100.5454 -3.0123 -3.0268 PRESSURE: 2549800 -126.454 18.2504 -131.23 18.2487 -45.6738 -44.2838 -131.23 -44.2843 230.341 GPRESSURE: 2549800 -133.455 19.0918 -67.421 59.2845 -8.93659 -105.935 -146.441 -89.8426 297.677 PRESSAVG: 2549800 -70.5935 -13.7105 -24.7981 -13.7105 14.8034 -37.6238 -24.7983 -37.6239 57.5871 GPRESSAVG: 2549800 -69.8357 -13.171 -22.3404 -11.2201 14.5456 -36.0818 -26.0588 -39.2127 57.8499 TIMING: 2549800 CPU: 7399.38, 0.00287813/step Wall: 7399.38, 0.00287813/step, 1.95889 hours remaining, 207.433594 MB of memory in use. ENERGY: 2549800 706.7304 2123.5715 1970.7680 102.3462 -206294.6149 17798.0794 0.0000 0.0000 34276.2844 -149316.8349 299.3433 -183593.1193 -149226.1027 298.3468 19.4042 51.7617 557301.5267 0.5990 0.8533 PRESSURE: 2550000 43.4036 49.1874 -70.083 49.1872 129.046 -85.2038 -70.0832 -85.2023 52.8851 GPRESSURE: 2550000 147.375 93.0466 -30.6121 -48.5297 153.682 -115.093 -93.9997 -111.614 20.1391 PRESSAVG: 2550000 -22.1185 -24.9148 9.11643 -24.9148 50.8574 -10.7708 9.11634 -10.7707 -48.6727 GPRESSAVG: 2550000 -21.7356 -24.1897 6.44945 -25.7439 49.9621 -11.2965 10.648 -11.732 -47.9737 TIMING: 2550000 CPU: 7399.95, 0.00287477/step Wall: 7399.95, 0.00287477/step, 1.95644 hours remaining, 207.433594 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: 2550000 735.9824 2038.5400 1974.6192 109.0885 -206476.4373 17923.3524 0.0000 0.0000 34345.2662 -149349.5887 299.9458 -183694.8549 -149250.0211 299.0793 75.1115 107.0655 557946.1437 -6.6446 -6.5824 PRESSURE: 2550200 269.842 72.5627 -12.0938 72.5636 62.4503 -75.9417 -12.0935 -75.9401 157.027 GPRESSURE: 2550200 265.919 8.27644 -49.4228 73.0213 145.77 34.5472 4.9141 -93.8327 179.487 PRESSAVG: 2550200 13.4401 5.5994 80.7939 5.59956 -41.0332 -64.1485 80.794 -64.1486 36.7517 GPRESSAVG: 2550200 12.9134 4.72019 82.6346 4.47289 -40.8236 -63.4001 79.8178 -64.9335 36.826 TIMING: 2550200 CPU: 7400.54, 0.00292/step Wall: 7400.54, 0.00292/step, 1.98706 hours remaining, 207.433594 MB of memory in use. ENERGY: 2550200 770.4576 2113.9580 1953.4181 117.0903 -206735.4009 18200.3558 0.0000 0.0000 34101.6785 -149478.4426 297.8184 -183580.1211 -149386.6776 297.9557 163.1062 197.0586 557380.0630 3.0529 2.9719 PRESSURE: 2550400 -96.6973 63.8428 -43.5684 63.8424 -79.9036 75.0995 -43.5681 75.0985 -170.157 GPRESSURE: 2550400 -73.2164 17.7145 -6.65417 9.55846 -39.281 -6.86799 -70.3925 54.6062 -137.12 PRESSAVG: 2550400 -19.476 26.4894 16.7196 26.4893 -45.6994 -25.1363 16.7195 -25.1363 34.1299 GPRESSAVG: 2550400 -19.2832 27.1965 16.1249 28.2641 -46.2683 -24.8633 16.053 -22.7663 34.2715 TIMING: 2550400 CPU: 7401.12, 0.00289541/step Wall: 7401.12, 0.00289541/step, 1.97017 hours remaining, 207.433594 MB of memory in use. ENERGY: 2550400 787.8644 2085.5269 1970.6207 110.6419 -206308.1876 17709.6050 0.0000 0.0000 34171.5112 -149472.4175 298.4283 -183643.9287 -149379.4947 297.9541 -115.5858 -83.2058 557086.2650 -10.3485 -10.4267 PRESSURE: 2550600 -86.7377 -79.642 -69.4083 -79.6417 -231.902 -24.9663 -69.4078 -24.9668 -39.8779 GPRESSURE: 2550600 -86.5797 -96.5647 -69.3609 -54.4964 -175.476 16.5812 -59.3268 -23.3704 15.5762 PRESSAVG: 2550600 -14.9055 4.80534 -9.79316 4.80538 41.6456 -38.2615 -9.79308 -38.2614 -9.1468 GPRESSAVG: 2550600 -14.2942 3.46559 -9.84999 5.49599 42.2185 -37.8121 -8.47138 -37.1512 -10.0474 TIMING: 2550600 CPU: 7401.7, 0.00289902/step Wall: 7401.7, 0.00289902/step, 1.97246 hours remaining, 207.433594 MB of memory in use. ENERGY: 2550600 753.0196 2140.4765 1951.7919 115.1634 -206124.1474 17611.7446 0.0000 0.0000 34219.8324 -149332.1190 298.8503 -183551.9514 -149245.8643 298.1791 -119.5060 -82.1600 556854.4417 5.8644 5.9590 PRESSURE: 2550800 -222.5 -25.2069 53.7682 -25.2059 17.7834 24.9324 53.7675 24.9312 -25.5826 GPRESSURE: 2550800 -160.089 -51.8528 -5.66517 39.5197 -20.8437 62.4317 97.174 55.5607 46.3325 PRESSAVG: 2550800 -5.63304 -39.071 13.234 -39.071 -19.2422 -14.7819 13.2339 -14.7819 10.2231 GPRESSAVG: 2550800 -5.90212 -38.6341 14.9425 -39.1693 -19.0344 -15.1554 11.6019 -14.9784 10.8085 TIMING: 2550800 CPU: 7402.28, 0.00290306/step Wall: 7402.28, 0.00290306/step, 1.97505 hours remaining, 207.433594 MB of memory in use. ENERGY: 2550800 730.9133 2157.1733 2001.2727 116.0888 -206503.5807 17774.7107 0.0000 0.0000 34595.8331 -149127.5887 302.1340 -183723.4218 -149024.9103 298.9611 -76.7666 -44.8668 556933.5528 -4.8841 -4.7093 PRESSURE: 2551000 -62.0109 54.9305 -80.6003 54.9305 -2.61215 49.9824 -80.5994 49.9819 -184.199 GPRESSURE: 2551000 2.74055 51.1613 -5.72755 64.6529 24.291 -48.8103 -35.9708 83.9953 -181.043 PRESSAVG: 2551000 -34.3107 -30.1579 48.5824 -30.1578 6.25246 -43.3666 48.5823 -43.3665 41.1826 GPRESSAVG: 2551000 -34.7446 -31.2193 48.314 -29.6882 6.94343 -43.4503 50.5464 -44.4305 41.005 TIMING: 2551000 CPU: 7402.85, 0.00287677/step Wall: 7402.85, 0.00287677/step, 1.95701 hours remaining, 207.433594 MB of memory in use. ENERGY: 2551000 783.9704 2132.4569 1981.9672 122.6278 -206009.6435 17565.7135 0.0000 0.0000 34406.6419 -149016.2659 300.4818 -183422.9078 -148918.1915 300.5714 -82.9407 -51.3373 556773.5942 4.3748 4.4013 PRESSURE: 2551200 109.4 -108.242 13.0463 -108.241 307.604 133.426 13.0465 133.427 160.838 GPRESSURE: 2551200 191.089 -90.9527 -33.7315 -25.7352 333.949 155.471 27.3527 54.3895 144.302 PRESSAVG: 2551200 -9.3276 -27.6098 3.85744 -27.6098 23.2468 52.6988 3.85738 52.6987 -20.7984 GPRESSAVG: 2551200 -8.57038 -25.0281 5.04001 -28.9771 22.7288 51.8709 2.04141 50.9923 -21.3132 TIMING: 2551200 CPU: 7403.43, 0.00289298/step Wall: 7403.43, 0.00289298/step, 1.96787 hours remaining, 207.433594 MB of memory in use. ENERGY: 2551200 749.5606 2104.5189 1970.2548 125.9000 -206339.4877 18077.5405 0.0000 0.0000 34168.9719 -149142.7411 298.4061 -183311.7130 -149051.7158 299.5047 192.6139 223.1134 556904.9870 -2.2930 -2.3849 PRESSURE: 2551400 98.8919 191.267 -73.2345 191.267 112.719 8.16869 -73.2329 8.16929 -45.4749 GPRESSURE: 2551400 93.8087 113.24 -117.262 178.768 160.081 -9.85302 -61.3208 17.5691 12.5654 PRESSAVG: 2551400 28.7819 -7.04649 -4.02632 -7.0464 -25.2184 14.0222 -4.02633 14.0224 25.3725 GPRESSAVG: 2551400 28.2811 -9.34113 -5.59353 -7.39948 -26.1367 15.5318 -3.23835 15.5949 26.2053 TIMING: 2551400 CPU: 7404, 0.00287365/step Wall: 7404, 0.00287365/step, 1.95456 hours remaining, 207.433594 MB of memory in use. ENERGY: 2551400 755.3513 2135.4121 1946.2094 114.2725 -206218.7406 17749.3539 0.0000 0.0000 34292.8064 -149225.3350 299.4876 -183518.1413 -149130.0468 298.8551 55.3786 88.8182 555568.9548 9.6453 9.4499 PRESSURE: 2551600 -234.939 23.5434 17.7749 23.5451 -31.4906 177.19 17.7747 177.189 243.722 GPRESSURE: 2551600 -194.977 -23.2498 -19.8448 108.834 29.1009 175.52 81.6556 132.15 239.584 PRESSAVG: 2551600 34.3405 -4.0766 10.398 -4.07661 22.4618 54.5765 10.3981 54.5765 -17.339 GPRESSAVG: 2551600 34.1932 -3.21267 7.70749 -2.06149 23.1094 54.0234 12.7934 55.1108 -17.4489 TIMING: 2551600 CPU: 7404.58, 0.00289296/step Wall: 7404.58, 0.00289296/step, 1.96753 hours remaining, 207.433594 MB of memory in use. ENERGY: 2551600 729.9297 2127.3120 1958.2482 114.0560 -205894.3015 17641.1540 0.0000 0.0000 34138.5372 -149185.0644 298.1403 -183323.6016 -149084.4204 298.7095 -7.5689 24.5692 557292.7438 13.1544 13.2846 PRESSURE: 2551800 -75.6525 -31.0138 89.8586 -31.0142 -3.9133 -214.68 89.8582 -214.681 -216.558 GPRESSURE: 2551800 -43.2554 -35.0833 41.7775 -6.02635 -7.72603 -239.956 131.769 -120.38 -150.54 PRESSAVG: 2551800 -29.1342 -52.9613 40.0362 -52.9612 -13.2497 -22.2027 40.0362 -22.2025 16.3799 GPRESSAVG: 2551800 -28.5505 -53.4654 41.4502 -53.5419 -13.6191 -23.4876 38.9989 -20.3785 15.7476 TIMING: 2551800 CPU: 7405.16, 0.00288104/step Wall: 7405.16, 0.00288104/step, 1.95927 hours remaining, 207.433594 MB of memory in use. ENERGY: 2551800 734.4651 2100.2396 2008.4601 128.5193 -205938.8609 17644.0900 0.0000 0.0000 34258.9707 -149064.1162 299.1921 -183323.0868 -148964.8247 298.5625 -98.7080 -67.1737 557573.4931 -8.6680 -8.8073 PRESSURE: 2552000 -398.269 61.3507 162.011 61.3507 -397.515 -61.5582 162.011 -61.5591 -99.4311 GPRESSURE: 2552000 -406.492 93.567 90.2811 -22.6804 -315.538 -25.9365 133.56 -26.6058 -75.2677 PRESSAVG: 2552000 -16.1151 10.8284 38.4858 10.8284 -20.1432 -22.1461 38.4858 -22.146 35.3371 GPRESSAVG: 2552000 -16.7679 12.0065 40.1164 10.4956 -20.7412 -21.1803 36.3351 -21.6452 36.3053 TIMING: 2552000 CPU: 7405.73, 0.00286019/step Wall: 7405.73, 0.00286019/step, 1.94493 hours remaining, 207.433594 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: 2552000 756.4704 2117.6699 1960.6772 115.3436 -205491.2033 17382.3405 0.0000 0.0000 34131.2866 -149027.4151 298.0770 -183158.7017 -148940.6357 300.4248 -298.4051 -265.7658 559059.4985 -0.3070 -0.4013 PRESSURE: 2552200 -169.183 79.8688 153.737 79.867 117.803 223.705 153.737 223.704 419.791 GPRESSURE: 2552200 -94.7785 94.0246 225.344 29.0061 159.075 188.024 142.27 207.983 402.477 PRESSAVG: 2552200 -66.2458 4.77552 65.9365 4.77554 20.0364 6.12345 65.9365 6.12343 34.1762 GPRESSAVG: 2552200 -66.2623 4.31194 66.1335 5.35839 20.2252 6.97305 67.0892 3.82627 33.4801 TIMING: 2552200 CPU: 7406.3, 0.00286307/step Wall: 7406.3, 0.00286307/step, 1.94673 hours remaining, 207.433594 MB of memory in use. ENERGY: 2552200 754.4737 2045.1616 1972.9035 127.7752 -206129.5851 17969.1531 0.0000 0.0000 34262.1893 -148997.9288 299.2202 -183260.1181 -148893.4695 299.9362 122.8038 155.5913 558347.6706 -4.0111 -4.1857 LDB: ============= START OF LOAD BALANCING ============== 7409.77 LDB: ============== END OF LOAD BALANCING =============== 7409.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7409.77 LDB: ============= START OF LOAD BALANCING ============== 7410.06 LDB: Largest compute 4821 load 0.030157 is 25.6% of average load 0.117657 LDB: Average compute 0.001716 is 1.5% of average load 0.117657 LDB: TIME 7410.07 LOAD: AVG 0.117657 MAX 0.176737 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 7410.07 LOAD: AVG 0.117657 MAX 0.176737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: TIME 7410.07 LOAD: AVG 0.117657 MAX 0.176737 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.941 MB LDB: ============== END OF LOAD BALANCING =============== 7410.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7410.07 PRESSURE: 2552400 -194.979 -149.955 -105.786 -149.955 128.369 50.4778 -105.787 50.4793 -123.05 GPRESSURE: 2552400 -132.716 -183.008 -85.7565 -55.9742 145.725 27.0761 -144.895 -12.7092 -116.472 PRESSAVG: 2552400 -44.3342 -28.0773 45.7059 -28.0773 19.2505 24.7314 45.7059 24.7314 13.8589 GPRESSAVG: 2552400 -44.4211 -26.1496 44.1629 -26.855 18.8756 24.1687 44.2859 24.2202 14.1148 TIMING: 2552400 CPU: 7406.9, 0.00296315/step Wall: 7406.9, 0.00296315/step, 2.01461 hours remaining, 206.390625 MB of memory in use. ENERGY: 2552400 789.6339 2115.4559 1964.6487 107.8931 -205960.2337 17818.8873 0.0000 0.0000 34319.8620 -148843.8528 299.7239 -183163.7148 -148749.2281 300.7304 -63.2199 -34.4875 559278.8775 -3.7416 -3.8102 PRESSURE: 2552600 68.2053 -89.3589 119.366 -89.3608 -70.8801 54.1419 119.368 54.1411 106.233 GPRESSURE: 2552600 84.216 -104.357 166.754 -108.894 -3.36412 87.2357 177.613 80.917 114.013 PRESSAVG: 2552600 -7.36766 -21.213 47.945 -21.2129 -22.5983 15.9341 47.945 15.934 19.6113 GPRESSAVG: 2552600 -7.01351 -23.83 49.6594 -23.5699 -21.96 17.1229 48.5226 16.2856 18.7503 TIMING: 2552600 CPU: 7407.47, 0.00289092/step Wall: 7407.47, 0.00289092/step, 1.96535 hours remaining, 206.593750 MB of memory in use. ENERGY: 2552600 768.3487 2103.0523 1968.7970 119.4864 -206412.2635 18098.1691 0.0000 0.0000 34490.5819 -148863.8280 301.2148 -183354.4099 -148767.4413 300.4363 34.5195 64.9549 560042.8998 -3.4515 -3.4077 PRESSURE: 2552800 -3.29907 -41.7968 -102.981 -41.7958 145.124 105.862 -102.981 105.862 132.939 GPRESSURE: 2552800 61.1522 -60.3101 -135.143 -123.294 121.276 63.7718 -99.6698 142.457 190.875 PRESSAVG: 2552800 -23.6066 -8.11447 27.4598 -8.11459 2.01075 -22.3517 27.4598 -22.3518 87.2134 GPRESSAVG: 2552800 -24.4553 -6.65224 25.6383 -9.17598 3.04762 -22.9354 29.2529 -23.3505 87.0855 TIMING: 2552800 CPU: 7408.05, 0.00288708/step Wall: 7408.05, 0.00288708/step, 1.96258 hours remaining, 206.789062 MB of memory in use. ENERGY: 2552800 721.1043 2094.4647 1967.3679 101.0384 -206213.3998 17886.9391 0.0000 0.0000 34570.1425 -148872.3430 301.9097 -183442.4855 -148774.9356 300.1884 91.5881 124.4346 559464.5896 21.8725 21.8926 PRESSURE: 2553000 -272.127 6.29009 62.6408 6.29104 -146.18 -15.2984 62.6393 -15.2982 -49.565 GPRESSURE: 2553000 -231.279 -42.9672 57.9751 -35.4343 -106.577 38.1287 43.9061 -114.84 -38.0079 PRESSAVG: 2553000 -46.8741 -0.261057 -45.5166 -0.261163 24.9347 -2.4415 -45.5166 -2.44147 26.0852 GPRESSAVG: 2553000 -46.1993 -1.69314 -44.8388 1.39974 24.6004 -3.757 -47.2295 0.800159 25.862 TIMING: 2553000 CPU: 7408.63, 0.00289568/step Wall: 7408.63, 0.00289568/step, 1.96826 hours remaining, 206.789062 MB of memory in use. ENERGY: 2553000 746.0775 2062.3519 1954.7045 120.6039 -205488.3414 17321.6529 0.0000 0.0000 34306.7861 -148976.1646 299.6097 -183282.9507 -148878.5448 299.4596 -155.9576 -125.2880 558774.5159 1.3819 1.4210 PRESSURE: 2553200 -75.8844 -108.545 -14.8211 -108.544 -43.2315 13.211 -14.8203 13.2117 -157.149 GPRESSURE: 2553200 -129.684 -180.234 -1.69089 -55.5677 43.385 -52.9505 13.303 84.7152 -99.5394 PRESSAVG: 2553200 -77.2416 -29.7106 -60.6364 -29.7106 59.2839 30.9691 -60.6363 30.9691 25.3242 GPRESSAVG: 2553200 -77.6975 -30.4383 -60.2849 -30.2379 58.8046 30.2507 -62.4206 30.1517 25.8918 TIMING: 2553200 CPU: 7409.21, 0.00287425/step Wall: 7409.21, 0.00287425/step, 1.95353 hours remaining, 206.789062 MB of memory in use. ENERGY: 2553200 745.4278 2113.0637 1985.2207 121.0227 -205645.1888 17540.8439 0.0000 0.0000 34308.2728 -148831.3371 299.6227 -183139.6100 -148735.2921 300.1380 -92.0883 -61.9461 558131.6131 2.4555 2.3329 PRESSURE: 2553400 12.7801 -195.505 -15.5856 -195.507 137.785 120.525 -15.5864 120.525 132.278 GPRESSURE: 2553400 12.6046 -25.2566 20.9741 -127.241 209.636 91.0768 -43.5977 170.756 145.44 PRESSAVG: 2553400 -14.6448 -8.88159 -2.43995 -8.88166 -13.6054 8.8933 -2.44004 8.8932 17.481 GPRESSAVG: 2553400 -14.9422 -6.1644 -3.33032 -9.25721 -14.233 9.09571 -0.0983676 9.08058 17.8161 TIMING: 2553400 CPU: 7409.78, 0.00288353/step Wall: 7409.78, 0.00288353/step, 1.95968 hours remaining, 206.789062 MB of memory in use. ENERGY: 2553400 774.6814 2022.3958 2007.9746 118.2658 -206246.0197 17907.3762 0.0000 0.0000 34544.2678 -148871.0582 301.6837 -183415.3259 -148777.4824 300.2571 94.2809 122.5600 557166.8827 -3.5897 -3.7864 PRESSURE: 2553600 100.908 69.8329 -137.859 69.833 209.22 -68.5801 -137.86 -68.5797 -0.169562 GPRESSURE: 2553600 121.743 61.9685 -120.031 72.9223 266.964 -130.479 -141.021 -26.0266 5.76976 PRESSAVG: 2553600 -4.81861 -19.3667 -35.131 -19.3667 2.30839 12.2788 -35.131 12.279 10.9917 GPRESSAVG: 2553600 -4.61831 -21.2027 -35.3375 -19.7591 1.90038 14.0266 -36.6512 12.0022 11.1422 TIMING: 2553600 CPU: 7410.36, 0.00288198/step Wall: 7410.36, 0.00288198/step, 1.95846 hours remaining, 206.789062 MB of memory in use. ENERGY: 2553600 771.7484 2052.6579 1997.8068 104.4381 -206060.6908 17904.7566 0.0000 0.0000 34324.9934 -148904.2896 299.7687 -183229.2830 -148808.8142 299.7249 103.3195 131.4923 558285.6165 2.8271 2.8081 PRESSURE: 2553800 111.523 94.8157 -11.5451 94.8162 -23.9281 -26.8764 -11.544 -26.8762 -203.556 GPRESSURE: 2553800 173.332 95.5184 -1.48515 71.206 12.1078 21.5546 -53.4624 -12.7812 -196.929 PRESSAVG: 2553800 3.28375 8.61987 -46.721 8.61981 -20.3648 -8.76087 -46.721 -8.76091 -3.40793 GPRESSAVG: 2553800 3.33822 8.27393 -46.8625 8.03413 -20.0085 -9.81498 -44.4295 -9.20269 -3.8117 TIMING: 2553800 CPU: 7410.94, 0.0028829/step Wall: 7410.94, 0.0028829/step, 1.95893 hours remaining, 206.789062 MB of memory in use. ENERGY: 2553800 775.2992 2152.9247 2014.0616 114.5186 -206174.4305 17755.1544 0.0000 0.0000 34501.1155 -148861.3566 301.3068 -183362.4721 -148766.1590 299.4884 -38.6535 -3.8296 556619.5508 -6.8296 -6.8273 PRESSURE: 2554000 -113.415 101.905 -42.1791 101.905 71.8594 28.4516 -42.1798 28.4531 -5.02159 GPRESSURE: 2554000 -83.0153 92.598 41.5035 73.7722 135.219 66.479 -129.936 -37.0633 -4.92683 PRESSAVG: 2554000 -3.31618 -57.3992 23.277 -57.3991 -0.171812 -33.0901 23.2771 -33.09 3.10849 GPRESSAVG: 2554000 -4.96788 -55.6659 23.8716 -56.7517 -0.0956057 -31.5413 22.3602 -33.1233 4.00853 TIMING: 2554000 CPU: 7411.51, 0.00288346/step Wall: 7411.51, 0.00288345/step, 1.95915 hours remaining, 206.789062 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: 2554000 763.1463 2097.1509 1978.2784 117.0727 -206185.8329 17786.3290 0.0000 0.0000 34507.7735 -148936.0821 301.3650 -183443.8556 -148831.3303 300.2292 -15.5257 15.7590 555889.1357 -0.1265 -0.3517 PRESSURE: 2554200 -128.464 186.946 237.115 186.947 -167.094 78.0013 237.116 78.0007 -114.686 GPRESSURE: 2554200 -74.6211 112.841 219.024 171.393 -167.235 40.3555 243.208 66.5462 -71.9014 PRESSAVG: 2554200 9.16431 41.2461 23.3917 41.2461 -24.8602 17.3231 23.3917 17.3231 5.83791 GPRESSAVG: 2554200 10.6706 41.8391 22.4306 40.996 -24.9263 15.0726 23.8509 18.8906 4.6985 TIMING: 2554200 CPU: 7412.09, 0.00288601/step Wall: 7412.09, 0.00288601/step, 1.96072 hours remaining, 206.789062 MB of memory in use. ENERGY: 2554200 772.6044 2113.6590 1960.5563 115.8160 -205566.3774 17381.2019 0.0000 0.0000 34282.1350 -148940.4048 299.3944 -183222.5398 -148839.5506 299.7199 -136.7480 -104.5859 557684.0609 -3.2860 -3.1857 PRESSURE: 2554400 -149.632 200.21 40.7477 200.209 -331.819 -38.2087 40.748 -38.2081 -113.91 GPRESSURE: 2554400 -148.194 208.718 75.1829 200.536 -294.841 -77.9497 58.9264 53.899 -56.1808 PRESSAVG: 2554400 30.1704 48.7938 44.1464 48.7938 -16.5009 3.48505 44.1464 3.48511 -11.912 GPRESSAVG: 2554400 29.5621 47.5799 42.7137 48.1775 -16.5298 4.16227 43.0453 3.69969 -11.4692 TIMING: 2554400 CPU: 7412.67, 0.00288715/step Wall: 7412.67, 0.00288715/step, 1.96134 hours remaining, 206.789062 MB of memory in use. ENERGY: 2554400 757.3188 2141.5839 1948.8225 112.6113 -205797.8472 17506.3034 0.0000 0.0000 34339.6410 -148991.5662 299.8966 -183331.2072 -148894.3718 299.7017 -198.4534 -166.4051 557793.9437 0.5859 0.5210 PRESSURE: 2554600 -153.679 -13.9752 -56.403 -13.9763 -127.926 27.2784 -56.4024 27.2778 -88.9714 GPRESSURE: 2554600 -73.1971 -31.8458 -2.70553 47.9615 -142.067 102.013 -15.8234 -18.2358 -46.389 PRESSAVG: 2554600 -4.8258 60.7608 19.1425 60.7609 19.6111 23.9893 19.1425 23.9893 -13.648 GPRESSAVG: 2554600 -5.97922 62.4118 21.8186 60.6903 20.6411 26.5759 17.9634 23.0123 -13.5909 TIMING: 2554600 CPU: 7413.25, 0.00290401/step Wall: 7413.25, 0.00290401/step, 1.97263 hours remaining, 206.789062 MB of memory in use. ENERGY: 2554600 783.8031 2095.4336 1965.3095 107.1163 -206180.0773 17704.0765 0.0000 0.0000 34458.8675 -149065.4708 300.9379 -183524.3383 -148972.4492 299.4222 -123.5255 -87.2178 557843.5839 0.3791 0.3570 PRESSURE: 2554800 65.8689 -189.009 -74.594 -189.009 92.9697 -59.5365 -74.5927 -59.5386 -323.643 GPRESSURE: 2554800 67.1495 -132.821 -47.5456 -129.214 111.879 -68.3455 -72.1618 -22.9223 -235.725 PRESSAVG: 2554800 -29.485 -9.02273 5.2171 -9.02276 -1.749 29.5475 5.21705 29.5476 0.0860021 GPRESSAVG: 2554800 -29.0202 -9.09326 4.05141 -9.10275 -2.12115 27.4965 6.29556 28.3317 0.503705 TIMING: 2554800 CPU: 7413.82, 0.00288151/step Wall: 7413.82, 0.00288151/step, 1.95718 hours remaining, 206.789062 MB of memory in use. ENERGY: 2554800 740.8470 2085.6353 1987.4487 119.4790 -206055.5335 17814.7887 0.0000 0.0000 34360.5962 -148946.7385 300.0796 -183307.3347 -148851.8402 300.1250 -54.9348 -18.8990 559092.6603 -10.3827 -10.2125 PRESSURE: 2555000 -10.7273 91.9984 19.517 92.0002 -119.206 -52.9569 19.5158 -52.957 -120.345 GPRESSURE: 2555000 20.0816 13.1417 -41.7075 86.613 -41.2577 53.5946 63.2603 -58.061 -128.342 PRESSAVG: 2555000 -57.076 -23.0632 -20.308 -23.0632 42.1596 23.9474 -20.3079 23.9475 -3.18151 GPRESSAVG: 2555000 -55.6453 -26.0645 -20.348 -20.8236 39.9512 24.3404 -17.144 23.6771 -2.36443 TIMING: 2555000 CPU: 7414.4, 0.00288741/step Wall: 7414.4, 0.00288741/step, 1.96103 hours remaining, 206.789062 MB of memory in use. ENERGY: 2555000 758.6654 2056.5684 1973.7326 131.7720 -205903.1840 17715.3805 0.0000 0.0000 34204.2451 -149062.8200 298.7142 -183267.0651 -148965.1568 299.6756 -83.4259 -49.8395 557927.8211 -6.0326 -6.0195 PRESSURE: 2555200 112.087 -10.3863 -118.824 -10.3853 79.5875 1.68481 -118.824 1.68468 119.586 GPRESSURE: 2555200 143.259 32.1897 -158.026 -75.1904 134.668 -32.3801 -117.468 2.43306 130.116 PRESSAVG: 2555200 -91.791 -19.3201 28.662 -19.3201 49.8616 -29.7007 28.6619 -29.7007 5.22771 GPRESSAVG: 2555200 -92.5445 -18.7429 28.7111 -21.4446 51.5312 -29.6572 26.2951 -27.9413 4.29104 TIMING: 2555200 CPU: 7414.98, 0.00289516/step Wall: 7414.98, 0.00289516/step, 1.96614 hours remaining, 206.789062 MB of memory in use. ENERGY: 2555200 734.6201 2091.0559 1981.1956 108.1206 -206111.2520 17786.9239 0.0000 0.0000 34540.4906 -148868.8453 301.6507 -183409.3359 -148764.6668 299.3238 103.7538 136.0143 557548.2460 -12.2339 -12.2408 PRESSURE: 2555400 127.173 55.403 60.1478 55.4044 -47.7841 48.7554 60.1485 48.7558 100.54 GPRESSURE: 2555400 156.666 6.80799 136.447 209.225 -11.7125 48.407 -3.85747 23.4534 127.288 PRESSAVG: 2555400 -54.8597 2.84776 -14.1545 2.84776 57.2185 -45.9464 -14.1546 -45.9463 11.7336 GPRESSAVG: 2555400 -54.9124 1.9802 -14.623 7.17304 57.3619 -45.9237 -13.3475 -47.2054 11.3337 TIMING: 2555400 CPU: 7415.56, 0.00289786/step Wall: 7415.56, 0.00289786/step, 1.96781 hours remaining, 206.789062 MB of memory in use. ENERGY: 2555400 789.5192 2139.4029 1946.5985 113.9075 -206402.7613 17954.0455 0.0000 0.0000 34413.3302 -149045.9575 300.5402 -183459.2877 -148954.4623 300.3271 59.9761 90.7469 555945.1668 4.6975 4.5944 PRESSURE: 2555600 3.95962 -27.5097 16.6478 -27.5081 -181.232 -150.685 16.6506 -150.685 -183.347 GPRESSURE: 2555600 -14.3568 38.6158 20.913 -5.54317 -81.9588 -137.974 14.6541 -227.584 -157.135 PRESSAVG: 2555600 -30.9178 -12.211 8.70895 -12.211 50.3866 -20.9364 8.70894 -20.9365 -55.7769 GPRESSAVG: 2555600 -31.2648 -8.35297 10.0182 -15.8507 51.017 -20.5409 4.992 -20.0577 -55.5364 TIMING: 2555600 CPU: 7416.14, 0.00288055/step Wall: 7416.14, 0.00288055/step, 1.9559 hours remaining, 206.789062 MB of memory in use. ENERGY: 2555600 782.1153 2109.7500 1933.8946 99.5858 -206298.2999 17898.0167 0.0000 0.0000 34274.7321 -149200.2054 299.3298 -183474.9375 -149099.6761 299.4920 -120.2066 -84.4834 558849.7652 -12.1027 -11.9281 PRESSURE: 2555800 -31.6138 -0.0322723 -19.3648 -0.031535 102.304 57.5993 -19.3657 57.6 -57.5172 GPRESSURE: 2555800 17.3463 53.3089 -28.4395 -41.4296 123.536 45.9791 -54.4903 120.389 -26.9302 PRESSAVG: 2555800 -17.8567 -23.5669 -31.0443 -23.5668 41.2975 -18.1175 -31.0443 -18.1176 4.84971 GPRESSAVG: 2555800 -17.0794 -26.7804 -29.8048 -23.0204 41.0334 -17.9174 -31.0209 -18.9691 4.41422 TIMING: 2555800 CPU: 7416.71, 0.0028907/step Wall: 7416.71, 0.0028907/step, 1.96263 hours remaining, 206.789062 MB of memory in use. ENERGY: 2555800 749.1001 2159.6501 1962.1962 103.6981 -206260.9788 18034.9188 0.0000 0.0000 34120.2072 -149131.2083 297.9803 -183251.4154 -149029.0451 299.1588 4.3910 37.9839 558891.8043 9.4302 9.4560 PRESSURE: 2556000 -99.3604 4.42998 -114.796 4.43018 -94.2165 161.528 -114.795 161.528 153.494 GPRESSURE: 2556000 -120.895 38.3126 -281.456 -7.66011 -26.9684 38.4058 -89.8962 216.374 202.602 PRESSAVG: 2556000 -28.2322 -12.3157 -19.4128 -12.3156 7.26006 -25.6901 -19.4128 -25.6902 18.3241 GPRESSAVG: 2556000 -29.0974 -12.052 -21.8728 -11.8109 7.27885 -26.9305 -17.3777 -23.202 19.1628 TIMING: 2556000 CPU: 7417.29, 0.00288355/step Wall: 7417.29, 0.00288355/step, 1.95761 hours remaining, 206.789062 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: 2556000 783.2457 2045.3649 1961.9398 124.0822 -206410.4651 17950.9387 0.0000 0.0000 34229.3544 -149315.5395 298.9335 -183544.8939 -149217.1503 298.4955 -13.3611 18.2463 558901.0605 -0.8827 -0.8853 PRESSURE: 2556200 -105.425 -158.051 -169.765 -158.052 -90.3605 49.7274 -169.765 49.7281 -175.049 GPRESSURE: 2556200 -77.6254 -162.454 -180.57 -202.434 -62.9919 86.2526 -102.339 -13.8944 -135.898 PRESSAVG: 2556200 -28.6163 -29.5544 -41.2718 -29.5544 26.0292 2.12811 -41.2719 2.12808 -30.7109 GPRESSAVG: 2556200 -27.4141 -28.8447 -39.6291 -29.274 25.452 1.87416 -41.7192 0.281753 -31.0261 TIMING: 2556200 CPU: 7417.87, 0.00288604/step Wall: 7417.87, 0.00288604/step, 1.95914 hours remaining, 206.789062 MB of memory in use. ENERGY: 2556200 736.2764 2067.8743 1964.1688 104.3605 -205937.7458 17598.3911 0.0000 0.0000 34096.5297 -149370.1451 297.7735 -183466.6748 -149273.4265 298.1518 -123.6115 -92.1717 557814.0666 -11.0993 -10.9961 LDB: ============= START OF LOAD BALANCING ============== 7421.33 LDB: ============== END OF LOAD BALANCING =============== 7421.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7421.33 LDB: ============= START OF LOAD BALANCING ============== 7421.62 LDB: Largest compute 4821 load 0.031342 is 26.6% of average load 0.117745 LDB: Average compute 0.001721 is 1.5% of average load 0.117745 LDB: TIME 7421.63 LOAD: AVG 0.117745 MAX 0.177773 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.234 MB LDB: TIME 7421.63 LOAD: AVG 0.117745 MAX 0.177773 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: TIME 7421.63 LOAD: AVG 0.117745 MAX 0.177773 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7421.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7421.63 PRESSURE: 2556400 -76.5337 -7.8569 74.0203 -7.85756 -57.5429 -42.3509 74.0219 -42.3519 -85.559 GPRESSURE: 2556400 -75.2712 -110.638 98.6593 -21.4418 -47.4284 -21.8911 75.1523 -30.4464 4.38865 PRESSAVG: 2556400 -74.8989 -19.3167 -58.182 -19.3165 90.8057 28.7916 -58.182 28.7916 -28.9715 GPRESSAVG: 2556400 -77.3532 -19.9099 -59.5225 -17.837 90.7879 28.2644 -57.6258 28.4163 -27.1892 TIMING: 2556400 CPU: 7418.46, 0.00293934/step Wall: 7418.46, 0.00293934/step, 1.99516 hours remaining, 207.027344 MB of memory in use. ENERGY: 2556400 744.7602 2134.0211 1994.9547 113.7214 -206400.9039 17737.6098 0.0000 0.0000 34419.1946 -149256.6422 300.5914 -183675.8368 -149154.7103 298.8469 -73.2118 -39.4370 557162.8162 -4.3549 -4.5848 PRESSURE: 2556600 -28.8445 -43.3515 -53.5309 -43.3524 -213.966 -0.67316 -53.5311 -0.673511 23.0057 GPRESSURE: 2556600 40.2274 -5.1934 -14.5298 -115.504 -228.851 -92.9413 -17.8877 33.7282 53.5784 PRESSAVG: 2556600 11.9643 -19.293 8.07601 -19.2931 -32.8759 13.6858 8.07603 13.6857 28.3418 GPRESSAVG: 2556600 13.8399 -20.1355 7.79078 -21.4465 -32.9507 13.744 9.62036 15.1526 25.864 TIMING: 2556600 CPU: 7419.03, 0.0028862/step Wall: 7419.03, 0.0028862/step, 1.95893 hours remaining, 207.230469 MB of memory in use. ENERGY: 2556600 769.8909 2113.0894 1965.7092 108.8113 -206499.2155 17701.5176 0.0000 0.0000 34345.4088 -149494.7882 299.9470 -183840.1970 -149394.5781 299.0236 -73.2683 -45.0149 557921.5076 2.4767 2.2510 PRESSURE: 2556800 34.199 31.1163 103.649 31.116 177.866 -9.34995 103.65 -9.35014 18.0752 GPRESSURE: 2556800 6.17151 -18.7822 191.329 61.6502 277.334 51.124 69.5807 1.83015 50.5263 PRESSAVG: 2556800 -4.33714 11.158 1.01312 11.158 32.1072 -87.5557 1.0132 -87.5557 23.0532 GPRESSAVG: 2556800 -5.01128 11.3817 -0.35745 14.3267 31.4858 -86.119 0.0795253 -88.7711 24.0515 TIMING: 2556800 CPU: 7419.61, 0.00289762/step Wall: 7419.61, 0.00289762/step, 1.96652 hours remaining, 207.488281 MB of memory in use. ENERGY: 2556800 731.8338 2067.9947 1967.6455 117.6978 -206522.6004 17966.0292 0.0000 0.0000 34304.2609 -149367.1385 299.5876 -183671.3994 -149269.9217 298.6564 76.7134 111.3439 557534.3407 16.9411 16.8420 PRESSURE: 2557000 95.2853 15.4761 30.7871 15.4768 -61.2064 65.4318 30.7872 65.4298 -179.346 GPRESSURE: 2557000 154.658 14.5057 84.7613 60.572 -93.6209 56.0938 12.2619 72.2896 -108.474 PRESSAVG: 2557000 16.053 -9.95896 11.712 -9.95895 52.4576 19.6093 11.7119 19.6092 -42.2555 GPRESSAVG: 2557000 14.636 -9.28036 14.8138 -12.1977 53.4166 21.0148 12.5756 16.3855 -41.9273 TIMING: 2557000 CPU: 7420.19, 0.00290059/step Wall: 7420.19, 0.00290059/step, 1.96837 hours remaining, 207.488281 MB of memory in use. ENERGY: 2557000 759.3836 2099.3647 1950.8791 103.6247 -206482.7782 17781.7329 0.0000 0.0000 34390.6412 -149397.1520 300.3420 -183787.7932 -149306.5747 299.4493 -48.4225 -15.8122 558582.7767 8.7517 8.7084 PRESSURE: 2557200 29.3995 58.3801 -34.5494 58.3813 -182.542 -81.3876 -34.5479 -81.3874 90.8854 GPRESSURE: 2557200 59.6316 107.587 -190.255 26.9351 -155.329 -108.574 19.5878 -58.9457 121.352 PRESSAVG: 2557200 3.60049 23.5939 10.613 23.5939 41.8878 42.8549 10.613 42.8549 -7.44992 GPRESSAVG: 2557200 5.07558 24.6625 8.85859 23.1267 41.9489 43.5285 9.53866 43.706 -8.73529 TIMING: 2557200 CPU: 7420.77, 0.00289562/step Wall: 7420.77, 0.00289562/step, 1.96484 hours remaining, 207.500000 MB of memory in use. ENERGY: 2557200 742.7267 2120.0449 1986.4647 121.4037 -206007.9220 17620.0756 0.0000 0.0000 34266.6640 -149150.5424 299.2593 -183417.2064 -149059.5687 299.4064 -20.7523 8.5515 557024.2864 12.6795 12.7631 PRESSURE: 2557400 -3.03869 -61.3348 99.3681 -61.3342 -167.467 22.4262 99.3681 22.4242 -444.421 GPRESSURE: 2557400 33.8901 -55.5524 49.2409 -59.8703 -153.785 10.0475 46.2406 32.7415 -393.068 PRESSAVG: 2557400 51.9659 46.094 -49.5785 46.0941 -0.718046 46.3154 -49.5785 46.3152 8.09406 GPRESSAVG: 2557400 51.2484 43.6486 -49.5885 48.0515 -1.5676 44.7408 -48.7895 48.8656 10.0009 TIMING: 2557400 CPU: 7421.35, 0.0028858/step Wall: 7421.35, 0.0028858/step, 1.95801 hours remaining, 207.500000 MB of memory in use. ENERGY: 2557400 800.0711 2079.0315 1969.1823 104.0963 -205788.7391 17466.0993 0.0000 0.0000 34383.8051 -148986.4536 300.2823 -183370.2587 -148884.8094 300.0047 -204.9755 -170.9877 557750.4316 19.7806 19.8939 PRESSURE: 2557600 -109.487 30.9928 -50.7567 30.9928 -19.1291 -154.568 -50.7546 -154.567 16.2517 GPRESSURE: 2557600 -102.261 36.9517 -14.1446 -37.5982 12.082 -209.032 -73.6458 -111.737 78.4992 PRESSAVG: 2557600 -70.1055 17.2657 -11.2239 17.2658 45.1874 -12.3751 -11.2239 -12.3751 40.2384 GPRESSAVG: 2557600 -69.8757 18.084 -10.682 16.99 45.5672 -12.8792 -12.339 -12.521 39.5753 TIMING: 2557600 CPU: 7421.93, 0.00289561/step Wall: 7421.93, 0.00289561/step, 1.96451 hours remaining, 207.500000 MB of memory in use. ENERGY: 2557600 762.4374 2136.2470 2002.6343 125.3765 -206372.1056 17757.4150 0.0000 0.0000 34498.7464 -149089.2490 301.2861 -183587.9954 -148986.4741 300.3098 -37.4547 -3.8931 555868.7674 5.1068 5.0889 PRESSURE: 2557800 -28.2896 241.104 -150.213 241.103 87.6484 -192.034 -150.213 -192.033 90.7235 GPRESSURE: 2557800 13.8304 178.882 -268.844 187.811 128.46 -214.185 -94.4489 -199.962 95.3407 PRESSAVG: 2557800 23.8138 20.1636 -65.3831 20.1636 -20.5338 -105.858 -65.3831 -105.858 20.1792 GPRESSAVG: 2557800 24.477 20.3314 -66.1147 20.03 -20.4907 -104.537 -65.4227 -107.448 19.808 TIMING: 2557800 CPU: 7422.5, 0.00287003/step Wall: 7422.5, 0.00287003/step, 1.947 hours remaining, 207.703125 MB of memory in use. ENERGY: 2557800 737.7377 2127.1491 1993.4285 113.6359 -206051.9550 17723.2521 0.0000 0.0000 34275.5567 -149081.1950 299.3370 -183356.7517 -148991.1992 300.4699 50.0274 79.2104 556777.2809 7.8197 7.9314 PRESSURE: 2558000 -324.866 16.9561 -97.11 16.9564 39.5479 -7.84066 -97.111 -7.84038 -236.549 GPRESSURE: 2558000 -301.377 70.0814 27.8007 -45.7579 32.6412 -45.9511 -113.548 -30.3001 -145.698 PRESSAVG: 2558000 -35.8827 74.0304 -75.7896 74.0304 -30.3803 -14.5756 -75.7896 -14.5756 65.2193 GPRESSAVG: 2558000 -36.24 72.4214 -73.464 72.6954 -30.7342 -13.9561 -74.913 -14.2253 65.8096 TIMING: 2558000 CPU: 7423.08, 0.0029023/step Wall: 7423.08, 0.0029023/step, 1.96873 hours remaining, 207.703125 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: 2558000 787.4956 2085.2733 1953.5382 107.7339 -205857.7228 17571.0988 0.0000 0.0000 34291.5379 -149061.0451 299.4765 -183352.5830 -148966.5848 300.2223 -173.9556 -138.1445 557277.7197 -0.3479 -0.3882 PRESSURE: 2558200 -158.773 2.0859 112.336 2.08571 -207.197 -32.48 112.336 -32.4798 -163.276 GPRESSURE: 2558200 -182.927 -51.62 146.386 21.0728 -106.58 -3.50147 114.973 -25.8694 -151.847 PRESSAVG: 2558200 -26.6068 37.9661 20.7146 37.9661 28.6369 -34.7998 20.7147 -34.7999 27.4251 GPRESSAVG: 2558200 -26.5404 37.8732 18.6556 38.7617 29.2348 -34.0045 22.3014 -33.7171 26.6078 TIMING: 2558200 CPU: 7423.67, 0.00291179/step Wall: 7423.67, 0.00291179/step, 1.975 hours remaining, 207.703125 MB of memory in use. ENERGY: 2558200 774.5846 2104.6074 1951.0865 122.9577 -205942.2145 17509.1222 0.0000 0.0000 34336.7113 -149143.1448 299.8710 -183479.8561 -149038.9525 300.1138 -176.4151 -147.1181 556088.9331 9.8184 9.7674 PRESSURE: 2558400 -267.71 5.27576 23.147 5.27614 -33.6016 -149.906 23.1471 -149.905 -17.6864 GPRESSURE: 2558400 -260.692 46.5957 -29.0833 -20.7241 -31.0036 -115.113 -63.3542 -213.282 72.3351 PRESSAVG: 2558400 -66.0407 0.054761 -8.87335 0.054783 6.06112 -27.8624 -8.87335 -27.8625 93.8417 GPRESSAVG: 2558400 -66.5665 1.46938 -7.90608 -0.801639 6.36562 -26.8203 -12.4621 -28.4343 93.9937 TIMING: 2558400 CPU: 7424.25, 0.00290061/step Wall: 7424.25, 0.00290061/step, 1.96726 hours remaining, 207.703125 MB of memory in use. ENERGY: 2558400 750.3339 2129.9294 1944.6363 113.6448 -205743.6984 17705.9854 0.0000 0.0000 34077.6221 -149021.5465 297.6083 -183099.1685 -148929.7349 299.6586 -106.3328 -73.1203 558895.9632 11.2874 11.2643 PRESSURE: 2558600 -98.6033 125.91 -97.3957 125.91 -26.8176 -28.7834 -97.3959 -28.7839 23.2841 GPRESSURE: 2558600 -53.0863 98.4701 -14.0658 133.077 -17.7078 -35.7996 -124.983 -24.5663 74.5801 PRESSAVG: 2558600 -31.6968 58.5413 -22.9121 58.5414 -17.5504 -32.9512 -22.9121 -32.9512 54.1589 GPRESSAVG: 2558600 -32.7469 57.7723 -25.0075 58.598 -16.9949 -33.1212 -21.2176 -32.953 54.4004 TIMING: 2558600 CPU: 7424.82, 0.00288933/step Wall: 7424.82, 0.00288933/step, 1.95945 hours remaining, 207.703125 MB of memory in use. ENERGY: 2558600 729.2746 2099.0095 1948.8553 107.2390 -206445.0463 17952.0615 0.0000 0.0000 34420.1066 -149188.4999 300.5994 -183608.6064 -149096.8411 298.8134 -34.0456 1.2620 558462.9502 1.6372 1.5528 PRESSURE: 2558800 -240.046 153.529 -58.4435 153.53 -8.19572 -74.2352 -58.4435 -74.2355 -77.041 GPRESSURE: 2558800 -158.383 204.056 -119.826 61.5052 5.73009 -75.3197 1.81754 -33.1816 -70.2663 PRESSAVG: 2558800 -55.7409 6.08315 8.93 6.08309 -5.95111 -9.96396 8.92995 -9.96403 52.9605 GPRESSAVG: 2558800 -54.7933 5.45528 10.2257 6.90824 -6.22005 -9.93239 8.43089 -10.5199 52.405 TIMING: 2558800 CPU: 7425.4, 0.00287823/step Wall: 7425.4, 0.00287823/step, 1.95176 hours remaining, 207.703125 MB of memory in use. ENERGY: 2558800 763.8532 2081.0748 1948.8339 109.3591 -205984.2012 17730.5874 0.0000 0.0000 34173.4316 -149177.0612 298.4451 -183350.4928 -149083.2065 299.4628 -108.4277 -74.3066 557424.5370 -2.9105 -2.8695 PRESSURE: 2559000 241.332 132.785 -78.8987 132.785 -95.2431 -183.083 -78.8988 -183.084 268.729 GPRESSURE: 2559000 260.987 168.919 -2.86168 134.166 -42.8979 -150.405 -84.3202 -172.355 302.596 PRESSAVG: 2559000 -19.8552 34.6272 11.6076 34.6272 26.8808 -6.03559 11.6076 -6.03549 -5.16693 GPRESSAVG: 2559000 -20.5146 34.8964 12.4659 33.8882 27.3783 -7.35813 11.0091 -4.52008 -4.63724 TIMING: 2559000 CPU: 7425.98, 0.00289285/step Wall: 7425.98, 0.00289285/step, 1.96152 hours remaining, 207.703125 MB of memory in use. ENERGY: 2559000 711.8599 2142.8923 1931.0999 101.2636 -206268.8931 17974.4013 0.0000 0.0000 34157.8509 -149249.5253 298.3090 -183407.3762 -149152.4550 299.2868 138.2727 173.5616 556627.4504 0.6196 0.7422 PRESSURE: 2559200 70.3919 -23.9325 136.09 -23.9326 -176.619 -166.329 136.089 -166.329 -95.3593 GPRESSURE: 2559200 95.8082 -14.6378 -27.1948 -49.475 -139.975 -83.6385 169.995 -188.274 -61.3547 PRESSAVG: 2559200 40.7477 43.9659 -2.59024 43.966 -13.5561 -6.73643 -2.59014 -6.73645 -22.0536 GPRESSAVG: 2559200 42.0116 43.8106 -3.63739 43.7261 -14.3415 -6.62892 -1.56922 -8.36694 -22.4613 TIMING: 2559200 CPU: 7426.55, 0.00287924/step Wall: 7426.55, 0.00287924/step, 1.95212 hours remaining, 207.703125 MB of memory in use. ENERGY: 2559200 738.9631 2087.0822 1945.9818 110.0579 -206144.2584 17741.5742 0.0000 0.0000 34302.3785 -149218.2206 299.5712 -183520.5991 -149121.3807 299.4079 -67.1954 -35.1738 557317.3352 1.7127 1.7363 PRESSURE: 2559400 122.403 264.108 -175.209 264.109 198.27 30.6026 -175.208 30.604 80.0663 GPRESSURE: 2559400 248.631 256.588 -154.852 165.431 207.744 79.9314 -165.523 -24.3406 55.4466 PRESSAVG: 2559400 14.9317 -2.91663 10.2516 -2.91658 1.32679 6.3843 10.2516 6.38428 2.48371 GPRESSAVG: 2559400 13.6368 -1.67517 10.6247 -4.3011 1.98458 7.67928 10.2167 7.4118 3.31139 TIMING: 2559400 CPU: 7427.13, 0.00288553/step Wall: 7427.13, 0.00288553/step, 1.95623 hours remaining, 207.703125 MB of memory in use. ENERGY: 2559400 709.3610 2090.5801 1956.8492 114.2897 -206470.2554 17994.4627 0.0000 0.0000 34538.5753 -149066.1375 301.6340 -183604.7127 -148962.0087 299.7412 133.5801 170.6069 556933.8060 6.2474 6.3109 PRESSURE: 2559600 -152.742 37.508 121.372 37.5082 -129.364 -90.38 121.372 -90.3794 -94.302 GPRESSURE: 2559600 -89.1411 13.7199 48.1509 70.833 -95.1128 -56.4197 118.744 -203.663 -93.4469 PRESSAVG: 2559600 72.2721 50.0209 -18.8408 50.0209 -100.759 -23.3938 -18.8407 -23.3939 -19.0702 GPRESSAVG: 2559600 72.9158 50.7463 -17.7029 50.5983 -101.683 -25.2556 -19.3992 -21.9199 -18.9454 TIMING: 2559600 CPU: 7427.71, 0.00288941/step Wall: 7427.71, 0.00288941/step, 1.9587 hours remaining, 207.703125 MB of memory in use. ENERGY: 2559600 734.3233 2080.6202 1976.1224 124.6880 -205603.6688 17482.2343 0.0000 0.0000 34057.4106 -149148.2700 297.4318 -183205.6806 -149049.8868 299.5850 -125.4694 -92.5669 557984.8827 -15.8524 -15.9041 PRESSURE: 2559800 -324.492 -114.914 19.3789 -114.914 -124.799 -102.887 19.3781 -102.888 -236.885 GPRESSURE: 2559800 -314.188 -158.668 -15.4853 -136.029 -46.9147 -138.817 15.1056 -158.476 -231.931 PRESSAVG: 2559800 18.9033 -12.0507 57.7594 -12.0507 1.25493 13.2476 57.7594 13.2476 -9.4406 GPRESSAVG: 2559800 19.2106 -16.1961 57.3796 -10.6131 0.782283 14.7536 59.0364 11.5584 -9.37708 TIMING: 2559800 CPU: 7428.29, 0.00289348/step Wall: 7428.29, 0.00289348/step, 1.9613 hours remaining, 207.703125 MB of memory in use. ENERGY: 2559800 742.7335 2095.2671 1977.6540 106.6938 -206036.0887 17568.3613 0.0000 0.0000 34214.8304 -149330.5487 298.8066 -183545.3790 -149243.4248 298.5416 -228.7253 -197.6778 558167.9950 3.5725 3.5386 PRESSURE: 2560000 -200.677 -27.872 124.798 -27.8723 19.3006 8.45999 124.799 8.46025 135.363 GPRESSURE: 2560000 -110.392 -23.2106 126.311 0.22236 43.2329 13.2831 217.004 66.1973 125.166 PRESSAVG: 2560000 -51.2039 -36.2542 37.6766 -36.2542 -4.11802 -31.7922 37.6766 -31.7921 70.024 GPRESSAVG: 2560000 -51.1266 -36.7177 37.4596 -36.0699 -3.69834 -33.5179 36.6175 -31.419 70.0171 TIMING: 2560000 CPU: 7428.87, 0.0029116/step Wall: 7428.87, 0.0029116/step, 1.97342 hours remaining, 207.703125 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: 2560000 783.5351 2039.6850 1976.1534 109.5479 -206342.5780 17866.5385 0.0000 0.0000 34241.7350 -149325.3832 299.0416 -183567.1181 -149234.7156 299.3615 -15.3377 19.3357 556895.0348 4.9007 5.0641 PRESSURE: 2560200 74.2525 -121.999 -60.9581 -121.999 210.298 25.7729 -60.9572 25.7724 6.29186 GPRESSURE: 2560200 98.2729 -130.442 -10.6877 -88.8501 228.265 48.3161 -93.3368 -9.57786 44.9912 PRESSAVG: 2560200 -53.8155 30.3254 -31.0143 30.3254 9.70373 -69.2395 -31.0143 -69.2395 48.3323 GPRESSAVG: 2560200 -52.8484 33.3663 -29.7919 29.1488 10.3504 -68.5069 -31.7915 -67.376 46.9643 TIMING: 2560200 CPU: 7429.45, 0.0029124/step Wall: 7429.45, 0.0029124/step, 1.9738 hours remaining, 207.703125 MB of memory in use. ENERGY: 2560200 760.7179 2105.8964 1968.3604 122.5569 -206558.7508 17942.6941 0.0000 0.0000 34373.9828 -149284.5423 300.1965 -183658.5251 -149181.5571 299.4383 96.9475 123.8432 557520.4238 1.4068 1.4888 LDB: ============= START OF LOAD BALANCING ============== 7432.92 LDB: ============== END OF LOAD BALANCING =============== 7432.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7432.92 LDB: ============= START OF LOAD BALANCING ============== 7433.21 LDB: Largest compute 4821 load 0.030344 is 25.8% of average load 0.117742 LDB: Average compute 0.001724 is 1.5% of average load 0.117742 LDB: TIME 7433.22 LOAD: AVG 0.117742 MAX 0.17848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7433.22 LOAD: AVG 0.117742 MAX 0.17848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.594 MB LDB: TIME 7433.22 LOAD: AVG 0.117742 MAX 0.17848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7433.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7433.22 PRESSURE: 2560400 -222.4 83.6453 10.6729 83.6439 -233.752 26.4184 10.6728 26.4195 -177.82 GPRESSURE: 2560400 -182.134 23.0571 6.55894 67.1999 -191.391 55.2678 -8.40391 48.0958 -159.546 PRESSAVG: 2560400 -42.3381 24.7645 -46.3958 24.7644 -17.9917 -3.53546 -46.3958 -3.53556 95.1433 GPRESSAVG: 2560400 -43.0025 24.2918 -47.0095 25.27 -18.9208 -2.7785 -45.4415 -4.79074 97.05 TIMING: 2560400 CPU: 7430.05, 0.00297866/step Wall: 7430.05, 0.00297866/step, 2.01854 hours remaining, 205.367188 MB of memory in use. ENERGY: 2560400 741.5616 2152.6311 1960.1117 103.1904 -206146.3137 17590.8251 0.0000 0.0000 34221.2956 -149376.6984 298.8631 -183597.9940 -149283.3783 298.9577 -211.3241 -177.6903 557661.1812 11.6045 11.7089 PRESSURE: 2560600 -160.464 -27.9827 -107.282 -27.9826 -225.597 69.8445 -107.282 69.8434 -220.631 GPRESSURE: 2560600 -113.601 -83.1241 -33.862 10.7667 -211.853 35.7496 -137.619 -20.2286 -175.535 PRESSAVG: 2560600 -27.5028 21.5335 -52.3863 21.5334 -20.95 -15.0437 -52.3863 -15.0437 91.6413 GPRESSAVG: 2560600 -25.1564 21.4527 -52.9645 23.3168 -22.2566 -16.1536 -51.6692 -17.1802 91.0561 TIMING: 2560600 CPU: 7430.63, 0.0028927/step Wall: 7430.63, 0.0028927/step, 1.96012 hours remaining, 205.695312 MB of memory in use. ENERGY: 2560600 740.1276 2098.4825 1979.1058 126.0370 -205937.6480 17500.8809 0.0000 0.0000 34167.4922 -149325.5219 298.3932 -183493.0142 -149228.8439 299.1978 -202.2306 -166.9965 557257.9184 14.3962 14.5477 PRESSURE: 2560800 -256.043 124.977 32.9006 124.977 -46.6225 -95.6589 32.9016 -95.6597 -112.887 GPRESSURE: 2560800 -275.487 46.0434 48.3093 150.265 -28.1784 -110.458 55.8329 -75.3136 -5.0606 PRESSAVG: 2560800 -36.538 -2.36786 -26.7385 -2.36787 -1.677 -29.8851 -26.7385 -29.8852 58.6079 GPRESSAVG: 2560800 -37.7333 -2.8701 -27.6985 -2.87067 -0.388345 -30.1929 -28.2178 -28.421 58.6251 TIMING: 2560800 CPU: 7431.21, 0.00290338/step Wall: 7431.21, 0.00290338/step, 1.9672 hours remaining, 205.898438 MB of memory in use. ENERGY: 2560800 744.2865 2138.9279 1996.8813 100.9578 -206229.9116 17723.1752 0.0000 0.0000 34160.0028 -149365.6801 298.3278 -183525.6829 -149272.4726 299.5099 -138.5175 -102.9086 557951.2723 6.7976 6.8345 PRESSURE: 2561000 -297.242 -24.1706 160.04 -24.1704 -166.678 -145.741 160.04 -145.739 -101.225 GPRESSURE: 2561000 -324.013 -104.672 157.856 99.8278 -129.465 -117.24 107.958 -179.87 4.24113 PRESSAVG: 2561000 -48.6884 32.4083 -13.0392 32.4083 12.5557 -29.5244 -13.0392 -29.5244 74.4972 GPRESSAVG: 2561000 -48.2293 30.0836 -12.3006 33.9932 12.4261 -27.8065 -12.8547 -28.763 74.2397 TIMING: 2561000 CPU: 7431.78, 0.00286723/step Wall: 7431.78, 0.00286723/step, 1.94255 hours remaining, 205.898438 MB of memory in use. ENERGY: 2561000 769.0704 2152.7157 1967.8033 109.9983 -205947.6014 17500.0863 0.0000 0.0000 34400.9794 -149046.9479 300.4323 -183447.9273 -148951.8678 299.9722 -188.3816 -149.7455 557576.3425 12.7882 12.8122 PRESSURE: 2561200 21.1053 29.0905 -106.663 29.0882 35.2518 60.0762 -106.663 60.0757 31.3244 GPRESSURE: 2561200 30.1924 -34.1233 -126.381 27.8445 37.6404 36.513 -126.548 -8.62805 109.502 PRESSAVG: 2561200 29.9579 41.2045 5.06073 41.2045 -27.0695 -14.0136 5.06079 -14.0136 -21.9427 GPRESSAVG: 2561200 28.8218 42.7215 6.05613 39.5936 -26.485 -14.5363 5.59271 -16.3827 -21.848 TIMING: 2561200 CPU: 7432.36, 0.00289484/step Wall: 7432.36, 0.00289484/step, 1.9611 hours remaining, 205.898438 MB of memory in use. ENERGY: 2561200 721.4449 2105.1624 1974.7762 125.7000 -206363.7599 17839.6203 0.0000 0.0000 34365.5660 -149231.4901 300.1230 -183597.0561 -149138.3221 299.8053 29.2272 59.1116 557502.2133 -6.3514 -6.5037 PRESSURE: 2561400 -124.799 -75.2922 132.652 -75.2923 56.6513 -138.153 132.651 -138.153 205.307 GPRESSURE: 2561400 -87.1133 -85.4106 137.694 -12.1964 66.5237 -125.878 192.613 -93.3477 256.746 PRESSAVG: 2561400 -62.6619 43.2506 -15.697 43.2506 -20.4121 -6.88502 -15.6971 -6.88498 97.0694 GPRESSAVG: 2561400 -62.0383 44.1544 -18.2122 41.9281 -20.8373 -7.75484 -15.7881 -5.45459 96.4637 TIMING: 2561400 CPU: 7432.94, 0.00289338/step Wall: 7432.94, 0.00289338/step, 1.95995 hours remaining, 205.906250 MB of memory in use. ENERGY: 2561400 709.5113 2124.2639 1977.9979 119.6503 -206301.0559 17891.7255 0.0000 0.0000 34198.0553 -149279.8516 298.6601 -183477.9070 -149176.8253 299.3840 45.7197 78.7189 557971.5986 4.6651 4.5293 PRESSURE: 2561600 129.459 53.6494 13.5523 53.6477 -331.628 170.387 13.5509 170.388 128.192 GPRESSURE: 2561600 118.67 -33.9546 5.00325 94.2449 -242.728 122.447 -55.5126 165.64 133.821 PRESSAVG: 2561600 -6.97998 -17.369 9.36595 -17.3691 -8.79648 -33.0614 9.36605 -33.0615 31.9287 GPRESSAVG: 2561600 -7.10807 -17.3676 10.0034 -17.7686 -8.6746 -32.6773 8.6967 -32.9797 31.5861 TIMING: 2561600 CPU: 7433.51, 0.00287631/step Wall: 7433.51, 0.00287631/step, 1.94822 hours remaining, 205.906250 MB of memory in use. ENERGY: 2561600 800.4442 2075.1667 2001.1314 114.6556 -206389.4860 17860.5853 0.0000 0.0000 34219.2476 -149318.2552 298.8452 -183537.5028 -149235.9656 299.1246 -24.6588 3.2543 556219.0061 5.3841 5.2678 PRESSURE: 2561800 -59.7958 -128.37 -28.5035 -128.37 -78.9421 34.249 -28.5027 34.2501 89.366 GPRESSURE: 2561800 3.84909 -146.131 -1.02475 -23.4543 -82.1129 81.5694 -74.3733 28.8577 124.492 PRESSAVG: 2561800 63.9505 10.8131 -2.11864 10.813 -27.2652 -28.2267 -2.11857 -28.2267 -34.9984 GPRESSAVG: 2561800 64.0374 9.96279 -2.68948 11.6417 -27.1718 -27.6738 -1.6696 -27.9696 -35.4502 TIMING: 2561800 CPU: 7434.09, 0.00287632/step Wall: 7434.09, 0.00287632/step, 1.94807 hours remaining, 205.906250 MB of memory in use. ENERGY: 2561800 730.4455 2033.4992 1983.7517 114.2400 -206588.9994 17918.2796 0.0000 0.0000 34462.1285 -149346.6548 300.9663 -183808.7833 -149246.5571 299.3742 -16.4573 15.4094 557496.3240 0.5623 0.4718 PRESSURE: 2562000 -45.7743 -90.3101 -92.7669 -90.3103 169.086 217.841 -92.7673 217.841 375.908 GPRESSURE: 2562000 18.7398 6.22124 -97.044 -120.425 198.129 232.731 -133.953 229.581 385.509 PRESSAVG: 2562000 -38.0219 -23.2248 -16.1321 -23.2248 42.008 -17.2388 -16.1321 -17.2388 45.1573 GPRESSAVG: 2562000 -38.9084 -23.711 -13.0737 -23.5992 41.3231 -16.6822 -17.5452 -18.2174 46.6639 TIMING: 2562000 CPU: 7434.66, 0.00288064/step Wall: 7434.66, 0.00288064/step, 1.95084 hours remaining, 205.906250 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: 2562000 816.9448 2088.5127 1970.6315 108.6193 -206788.8487 18125.6094 0.0000 0.0000 34142.1463 -149536.3846 298.1719 -183678.5309 -149435.6911 298.6281 166.4066 200.7927 555764.3148 16.3811 16.3595 PRESSURE: 2562200 -165.292 48.8346 -23.1187 48.8343 7.62393 -93.8242 -23.1197 -93.8236 -294.034 GPRESSURE: 2562200 -67.9916 34.3313 -11.4299 -6.50702 -34.4585 -104.974 -40.7461 7.60991 -259.182 PRESSAVG: 2562200 -16.0456 15.6723 -39.0768 15.6724 58.3095 -3.1108 -39.0769 -3.11067 -38.5328 GPRESSAVG: 2562200 -15.024 17.1801 -41.0203 16.3382 59.1004 -1.1183 -37.7107 -4.38864 -40.3814 TIMING: 2562200 CPU: 7435.24, 0.00287084/step Wall: 7435.24, 0.00287084/step, 1.94404 hours remaining, 205.906250 MB of memory in use. ENERGY: 2562200 736.2237 2111.1548 2003.6278 118.3970 -206248.8854 17563.9403 0.0000 0.0000 34196.2176 -149519.3241 298.6441 -183715.5417 -149421.5582 298.4334 -150.5672 -120.5440 556467.3726 1.2437 1.2317 PRESSURE: 2562400 18.8778 -74.5522 -66.7944 -74.5513 275.484 87.0579 -66.7942 87.0576 -43.8308 GPRESSURE: 2562400 92.7399 -61.532 -4.65153 -55.7996 241.612 68.7536 -141.188 94.368 13.2208 PRESSAVG: 2562400 22.165 50.2733 -6.23756 50.2733 36.7296 47.4068 -6.23759 47.4069 -64.645 GPRESSAVG: 2562400 21.618 50.8243 -6.40447 49.0539 36.6162 46.9725 -5.8123 48.9901 -64.0339 TIMING: 2562400 CPU: 7435.82, 0.00288297/step Wall: 7435.82, 0.00288297/step, 1.95209 hours remaining, 205.906250 MB of memory in use. ENERGY: 2562400 756.5995 2100.6066 1985.6093 116.5319 -206849.2353 18110.5595 0.0000 0.0000 34325.2455 -149454.0830 299.7709 -183779.3285 -149357.0272 298.8001 83.5102 115.8575 556427.2253 -1.9168 -1.9332 PRESSURE: 2562600 -256.515 48.1577 -17.9998 48.1599 -213.23 -47.8085 -17.9998 -47.8088 -339.765 GPRESSURE: 2562600 -214.649 52.5372 -73.4271 107.891 -218.262 -62.8978 -32.5993 -85.9544 -260.31 PRESSAVG: 2562600 -9.86448 32.8258 45.4093 32.8258 -15.4268 -15.0664 45.4093 -15.0663 10.4147 GPRESSAVG: 2562600 -10.2009 31.3476 46.2456 35.2052 -15.4126 -14.6565 43.6525 -16.2789 10.5547 TIMING: 2562600 CPU: 7436.39, 0.00286346/step Wall: 7436.39, 0.00286346/step, 1.93872 hours remaining, 205.906250 MB of memory in use. ENERGY: 2562600 770.1908 2077.6016 1959.6792 105.9290 -206087.6247 17390.1251 0.0000 0.0000 34280.7541 -149503.3450 299.3824 -183784.0991 -149401.2618 298.6157 -269.8367 -231.0734 556672.7679 -4.9589 -5.0196 PRESSURE: 2562800 -28.0532 -172.39 -17.8836 -172.389 -216.037 -48.222 -17.8825 -48.2206 237.275 GPRESSURE: 2562800 -49.6183 -161.783 -98.2178 -97.5349 -159.513 1.27784 14.3704 -62.6712 296.314 PRESSAVG: 2562800 13.6219 -10.8054 9.28849 -10.8054 8.92315 -32.5097 9.28854 -32.5097 0.302192 GPRESSAVG: 2562800 13.9556 -9.80437 9.47393 -12.9039 9.48399 -33.7386 10.2978 -32.0051 -0.347146 TIMING: 2562800 CPU: 7436.97, 0.00288776/step Wall: 7436.97, 0.00288776/step, 1.95501 hours remaining, 205.906250 MB of memory in use. ENERGY: 2562800 750.1205 2138.3988 1968.3516 106.0134 -206249.4282 17685.9236 0.0000 0.0000 34047.2611 -149553.3593 297.3432 -183600.6204 -149461.4488 298.8885 -2.2719 29.0609 555445.1645 7.6158 7.6975 PRESSURE: 2563000 -115.234 26.7458 -60.314 26.745 -33.4938 41.5513 -60.3138 41.5514 -186.432 GPRESSURE: 2563000 -83.3867 73.7783 -62.5222 39.745 8.76724 10.7061 22.0441 2.61036 -162.959 PRESSAVG: 2563000 -5.3416 -37.7983 10.0933 -37.7982 12.408 41.8137 10.0933 41.8137 -14.6679 GPRESSAVG: 2563000 -5.01838 -37.6428 9.07788 -38.0993 12.4361 42.0626 10.015 43.2809 -14.487 TIMING: 2563000 CPU: 7437.55, 0.00290281/step Wall: 7437.55, 0.00290281/step, 1.96504 hours remaining, 205.906250 MB of memory in use. ENERGY: 2563000 731.1805 2060.5030 1922.7797 118.1824 -206186.2719 17738.0779 0.0000 0.0000 34259.9521 -149355.5963 299.2007 -183615.5484 -149256.1492 297.9709 -111.7198 -79.1929 557628.5570 -2.5338 -2.3564 PRESSURE: 2563200 173.99 131.166 67.6523 131.164 -219.017 30.2488 67.6518 30.2494 -147.927 GPRESSURE: 2563200 128.789 140.091 66.0539 135.202 -205.084 1.8107 123.329 91.859 -26.1103 PRESSAVG: 2563200 4.0203 53.2127 50.5845 53.2127 8.39284 73.242 50.5846 73.2421 -29.205 GPRESSAVG: 2563200 4.38083 51.7456 49.9716 54.1751 7.30669 73.619 53.4999 70.7638 -27.6691 TIMING: 2563200 CPU: 7438.13, 0.00291316/step Wall: 7438.13, 0.00291316/step, 1.97189 hours remaining, 205.906250 MB of memory in use. ENERGY: 2563200 727.2142 2107.3099 1968.6278 135.4600 -206393.6459 17817.7146 0.0000 0.0000 34284.4881 -149352.8313 299.4150 -183637.3193 -149254.7829 298.8889 -64.3180 -34.1351 557876.5121 -5.5973 -5.3272 PRESSURE: 2563400 53.0271 -15.7167 51.3476 -15.7171 38.8282 17.571 51.3472 17.5715 5.32161 GPRESSURE: 2563400 76.6883 -29.5161 175.393 69.1255 54.4824 -28.7617 -15.0026 12.7781 65.9578 PRESSAVG: 2563400 61.5569 16.4037 39.2726 16.4037 -33.46 -58.7517 39.2726 -58.7518 2.82124 GPRESSAVG: 2563400 60.4179 17.6231 41.0234 15.6331 -32.9536 -58.7198 34.7706 -57.8233 2.97295 TIMING: 2563400 CPU: 7438.71, 0.00291154/step Wall: 7438.71, 0.00291154/step, 1.97063 hours remaining, 205.906250 MB of memory in use. ENERGY: 2563400 767.4336 2144.3134 1967.7909 117.7083 -206587.4598 18037.3195 0.0000 0.0000 34245.5051 -149307.3891 299.0745 -183552.8942 -149208.6951 299.0611 32.3923 65.7095 557289.5243 10.3061 10.1457 PRESSURE: 2563600 -34.986 -104.693 -102.461 -104.692 -163.901 -10.5912 -102.462 -10.5922 -18.8684 GPRESSURE: 2563600 -69.7383 -100.225 -52.8352 -149.478 -83.4919 -61.6032 -187.187 -4.77602 38.6297 PRESSAVG: 2563600 79.7575 10.7116 6.83655 10.7116 -34.1289 -17.7576 6.83657 -17.7576 -40.4027 GPRESSAVG: 2563600 79.0118 10.593 6.55941 9.73303 -34.1631 -17.05 8.92772 -19.3483 -39.7595 TIMING: 2563600 CPU: 7439.29, 0.00290875/step Wall: 7439.29, 0.00290875/step, 1.96858 hours remaining, 205.906250 MB of memory in use. ENERGY: 2563600 730.4804 2132.3066 1977.2107 132.7626 -206354.9060 17781.1807 0.0000 0.0000 34359.2441 -149241.7209 300.0678 -183600.9651 -149148.3286 299.3623 -72.5850 -38.2001 556890.3552 1.7420 1.6964 PRESSURE: 2563800 55.4502 52.3523 -267.145 52.3534 -365.973 -109.943 -267.144 -109.942 112.973 GPRESSURE: 2563800 72.2829 23.4765 -269.437 125.255 -294.232 -119.218 -314.972 -111.563 129.216 PRESSAVG: 2563800 10.4068 48.5795 -59.2902 48.5795 -30.3217 -41.701 -59.2902 -41.7009 9.79357 GPRESSAVG: 2563800 11.1338 49.8172 -60.5506 49.4324 -30.2081 -41.0462 -58.1562 -43.0085 7.95043 TIMING: 2563800 CPU: 7439.88, 0.00291421/step Wall: 7439.88, 0.00291421/step, 1.97211 hours remaining, 205.906250 MB of memory in use. ENERGY: 2563800 770.0175 2106.0743 1984.4419 106.6313 -205998.7760 17682.9537 0.0000 0.0000 34084.3019 -149264.3554 297.6667 -183348.6573 -149165.2254 299.3624 -65.8499 -30.9111 555965.1138 -3.3738 -3.7079 PRESSURE: 2564000 84.9751 -105.625 -39.7819 -105.624 -107.017 -64.1184 -39.7816 -64.119 77.1739 GPRESSURE: 2564000 162.746 -50.7694 -55.4183 -86.4845 -108.445 -14.4382 -39.2795 -134.798 102.09 PRESSAVG: 2564000 16.7237 -0.0940544 -42.0904 -0.094074 -59.9363 -21.6836 -42.0904 -21.6836 55.0447 GPRESSAVG: 2564000 16.4789 -0.21117 -39.8185 -1.05197 -60.6872 -22.4645 -43.9694 -20.5262 55.3838 TIMING: 2564000 CPU: 7440.46, 0.00292563/step Wall: 7440.46, 0.00292563/step, 1.97968 hours remaining, 205.906250 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: 2564000 764.0609 2039.9537 1967.5577 124.0215 -206039.3296 17521.7157 0.0000 0.0000 34275.3560 -149346.6642 299.3352 -183622.0202 -149255.2507 298.7573 18.3774 52.1305 554722.7719 3.9440 3.7252 PRESSURE: 2564200 137.48 -129.883 170.183 -129.882 6.99177 -0.399046 170.183 -0.399195 69.5412 GPRESSURE: 2564200 139.53 -203.018 242.396 -53.4844 33.8227 3.72675 133.396 -63.355 134.86 PRESSAVG: 2564200 -30.6749 34.9357 28.0693 34.9358 12.97 3.69889 28.0694 3.69885 40.5962 GPRESSAVG: 2564200 -30.0486 32.703 27.5234 35.9535 13.2303 3.77331 28.0065 4.57872 39.4548 TIMING: 2564200 CPU: 7441.05, 0.002921/step Wall: 7441.05, 0.002921/step, 1.97638 hours remaining, 205.906250 MB of memory in use. ENERGY: 2564200 729.9828 2058.8430 1974.7473 108.4384 -206575.1655 18026.0956 0.0000 0.0000 34219.3240 -149457.7345 298.8459 -183677.0585 -149360.8480 299.2075 71.3376 102.7373 554972.5702 7.6304 7.5455 LDB: ============= START OF LOAD BALANCING ============== 7444.52 LDB: ============== END OF LOAD BALANCING =============== 7444.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.52 LDB: ============= START OF LOAD BALANCING ============== 7444.81 LDB: Largest compute 4821 load 0.030768 is 26.1% of average load 0.117794 LDB: Average compute 0.001719 is 1.5% of average load 0.117794 LDB: TIME 7444.81 LOAD: AVG 0.117794 MAX 0.179069 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 7444.81 LOAD: AVG 0.117794 MAX 0.179069 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 7444.81 LOAD: AVG 0.117794 MAX 0.179069 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 7444.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.82 PRESSURE: 2564400 38.0603 31.9319 127.476 31.931 -85.8941 -51.1967 127.474 -51.1975 -238.632 GPRESSURE: 2564400 -7.09286 13.6615 73.0911 51.2231 -45.0312 32.9145 203.149 -56.0035 -131.928 PRESSAVG: 2564400 7.03301 6.06593 83.8896 6.06594 26.099 -12.4258 83.8896 -12.4258 -24.0539 GPRESSAVG: 2564400 5.12312 6.86617 80.8328 6.45408 27.1227 -11.9627 86.2372 -12.2198 -22.1785 TIMING: 2564400 CPU: 7441.65, 0.00299833/step Wall: 7441.65, 0.00299833/step, 2.02854 hours remaining, 208.250000 MB of memory in use. ENERGY: 2564400 770.4386 2096.5124 1949.8149 105.0781 -206174.1987 17602.1843 0.0000 0.0000 34166.6450 -149483.5254 298.3858 -183650.1704 -149384.6225 298.8269 -95.4886 -61.3506 555112.5803 3.0260 3.3558 PRESSURE: 2564600 -16.9484 128.055 164.529 128.053 -66.227 146.457 164.528 146.458 169.773 GPRESSURE: 2564600 -3.61577 40.9759 134.851 119.648 -16.5243 198.675 246.744 119.446 188.408 PRESSAVG: 2564600 -72.1812 17.2144 81.1285 17.2145 27.746 -74.7423 81.1284 -74.7423 67.3977 GPRESSAVG: 2564600 -70.6977 17.1267 83.9805 15.6337 26.8188 -76.721 77.3639 -74.2473 66.4647 TIMING: 2564600 CPU: 7442.23, 0.00292794/step Wall: 7442.23, 0.00292794/step, 1.98075 hours remaining, 208.250000 MB of memory in use. ENERGY: 2564600 789.2894 2076.0380 1972.2930 116.2583 -206435.8891 17848.6281 0.0000 0.0000 34121.1956 -149512.1868 297.9889 -183633.3823 -149421.4001 298.5998 28.8660 56.0892 556054.4695 7.6541 7.5286 PRESSURE: 2564800 -32.9857 184.02 -46.625 184.019 -293.852 66.6822 -46.6267 66.6818 -197.207 GPRESSURE: 2564800 26.6785 115.861 -24.6735 228.722 -197.318 31.1614 -65.9645 106.887 -250.459 PRESSAVG: 2564800 17.315 -13.0588 25.6155 -13.0588 -26.3483 14.6708 25.6154 14.6708 5.38822 GPRESSAVG: 2564800 18.4564 -12.3862 24.5828 -13.772 -25.6845 16.114 28.2636 12.5796 3.73637 TIMING: 2564800 CPU: 7442.81, 0.00291547/step Wall: 7442.81, 0.00291547/step, 1.97215 hours remaining, 208.250000 MB of memory in use. ENERGY: 2564800 726.3703 2052.4456 1967.3326 94.6089 -206065.5293 17468.2140 0.0000 0.0000 34121.6608 -149634.8971 297.9930 -183756.5579 -149535.6161 297.9835 -174.6818 -140.3663 556594.1761 -1.2150 -1.1639 PRESSURE: 2565000 30.8795 43.0853 102.335 43.0865 -29.748 94.8066 102.334 94.8072 -112.599 GPRESSURE: 2565000 -24.5166 3.20005 51.2206 36.0973 -4.12196 100.897 50.8349 31.0367 18.0236 PRESSAVG: 2565000 78.0264 35.8324 55.9168 35.8325 -57.9718 -5.15566 55.9167 -5.15565 -33.4105 GPRESSAVG: 2565000 77.9916 36.3281 55.4433 36.5302 -59.4584 -5.03366 54.8894 -3.18879 -31.7242 TIMING: 2565000 CPU: 7443.39, 0.00289201/step Wall: 7443.39, 0.00289201/step, 1.95612 hours remaining, 208.453125 MB of memory in use. ENERGY: 2565000 736.1482 2095.4147 1995.1229 122.3649 -206627.4267 17798.5691 0.0000 0.0000 34209.7565 -149670.0504 298.7623 -183879.8069 -149575.3035 298.1530 -37.1557 -3.5383 556728.9380 -4.4520 -4.3970 PRESSURE: 2565200 93.4872 -81.8723 -27.3695 -81.8714 -45.7113 67.4386 -27.3696 67.4357 203.813 GPRESSURE: 2565200 132.833 -44.5447 -55.8396 -118.464 -37.071 118.601 0.534529 -14.2727 244.929 PRESSAVG: 2565200 -29.9044 -17.8738 18.5568 -17.8738 30.2715 -2.8866 18.5569 -2.88665 21.3664 GPRESSAVG: 2565200 -30.6578 -17.4278 18.714 -19.0676 30.8855 -3.96358 19.1022 -4.09443 21.5806 TIMING: 2565200 CPU: 7443.97, 0.00289868/step Wall: 7443.97, 0.00289868/step, 1.96048 hours remaining, 208.453125 MB of memory in use. ENERGY: 2565200 734.3556 2115.5091 1965.6796 106.6111 -206790.1385 18013.3168 0.0000 0.0000 34098.7475 -149755.9188 297.7928 -183854.6664 -149653.1210 297.9115 83.8630 113.5637 557373.0404 7.2445 7.2694 PRESSURE: 2565400 -39.1097 76.9099 -74.8419 76.9097 -66.3015 3.59512 -74.8419 3.59575 -219.298 GPRESSURE: 2565400 -34.3474 12.6481 -215.081 36.3403 5.33575 -61.1038 -18.7504 -41.589 -204.923 PRESSAVG: 2565400 45.6292 10.7257 -35.1737 10.7257 -12.7761 -50.9529 -35.1736 -50.9531 -28.9414 GPRESSAVG: 2565400 45.8302 10.9178 -36.0742 11.3383 -12.2673 -50.7455 -34.7093 -52.325 -29.4731 TIMING: 2565400 CPU: 7444.55, 0.00288965/step Wall: 7444.55, 0.00288965/step, 1.95421 hours remaining, 208.453125 MB of memory in use. ENERGY: 2565400 780.9749 2125.2354 1964.2389 104.6144 -206581.3482 17800.4613 0.0000 0.0000 33985.3509 -149820.4724 296.8025 -183805.8234 -149728.6713 298.5808 -108.2365 -77.9782 558170.3573 1.3039 1.3632 PRESSURE: 2565600 90.4173 25.4834 -105.411 25.4834 0.780448 30.207 -105.412 30.2052 3.96249 GPRESSURE: 2565600 100.572 47.4285 -97.8914 33.2211 94.0611 15.1892 -153.131 -6.3313 -1.11241 PRESSAVG: 2565600 -27.6155 16.6973 -29.6322 16.6974 44.089 -50.9861 -29.6322 -50.9862 -64.7919 GPRESSAVG: 2565600 -27.435 16.457 -27.8991 16.0377 43.2833 -52.0411 -30.8418 -48.7445 -64.4124 TIMING: 2565600 CPU: 7445.13, 0.00289366/step Wall: 7445.13, 0.00289366/step, 1.95675 hours remaining, 208.453125 MB of memory in use. ENERGY: 2565600 760.4904 2135.6404 1954.2955 104.8156 -206650.6105 17978.9350 0.0000 0.0000 34090.0444 -149626.3891 297.7168 -183716.4335 -149532.1493 297.9252 31.7201 64.5067 557684.7054 -16.1062 -16.1881 PRESSURE: 2565800 24.6717 169.517 63.6371 169.517 -69.9153 -63.4669 63.6393 -63.4671 -30.3944 GPRESSURE: 2565800 90.9202 262.56 61.7139 177.235 -65.7866 56.4835 69.3735 -60.68 10.1621 PRESSAVG: 2565800 72.327 -16.5979 16.2018 -16.5978 -51.8632 -29.0382 16.2018 -29.0381 -3.7086 GPRESSAVG: 2565800 72.0387 -17.0341 13.9343 -15.6588 -51.1303 -27.22 17.4814 -30.4097 -4.12371 TIMING: 2565800 CPU: 7445.7, 0.00288149/step Wall: 7445.7, 0.00288149/step, 1.94837 hours remaining, 208.453125 MB of memory in use. ENERGY: 2565800 742.7879 2093.1259 1998.2396 116.9500 -206720.9905 17970.7404 0.0000 0.0000 34093.7674 -149705.3793 297.7494 -183799.1467 -149608.7484 298.0716 -25.2127 11.7653 556654.5094 5.5851 5.5949 PRESSURE: 2566000 123.982 55.7055 41.2611 55.707 -142.977 23.447 41.2621 23.4482 -45.3375 GPRESSURE: 2566000 149.281 59.5317 79.2908 -10.0744 -135.076 10.1972 18.9236 72.0001 34.0369 PRESSAVG: 2566000 6.77697 -47.1089 -7.54756 -47.1088 -6.05297 -7.16103 -7.54749 -7.16091 -19.5774 GPRESSAVG: 2566000 6.4593 -47.018 -5.01087 -47.8631 -6.88152 -6.49571 -7.84547 -7.42524 -18.377 TIMING: 2566000 CPU: 7446.28, 0.00288215/step Wall: 7446.28, 0.00288215/step, 1.94865 hours remaining, 208.453125 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: 2566000 745.4956 2097.1076 1963.4096 122.4425 -206658.5172 17920.2453 0.0000 0.0000 34266.4430 -149543.3736 299.2574 -183809.8166 -149449.6321 298.0198 -21.4442 16.0807 556522.1991 -6.2845 -6.2664 PRESSURE: 2566200 -273.306 79.3579 -197.579 79.3575 -136.948 -34.4899 -197.579 -34.4906 60.6402 GPRESSURE: 2566200 -170.394 142.527 -205.057 45.5316 -127.395 24.5733 -129.326 -135.087 42.8192 PRESSAVG: 2566200 -75.8609 47.3074 1.84667 47.3073 -15.6407 51.0215 1.8466 51.0215 82.1379 GPRESSAVG: 2566200 -75.8672 46.3472 0.0503882 47.7134 -16.1137 49.2558 0.24396 52.5185 83.273 TIMING: 2566200 CPU: 7446.86, 0.00289627/step Wall: 7446.86, 0.00289627/step, 1.95804 hours remaining, 208.453125 MB of memory in use. ENERGY: 2566200 747.9580 2087.0585 1983.6465 119.6209 -206284.5931 17670.1612 0.0000 0.0000 33989.2096 -149686.9384 296.8362 -183676.1479 -149590.8016 297.9288 -116.5379 -84.9900 556694.5288 -3.1212 -2.9026 PRESSURE: 2566400 5.65371 116.662 -90.9926 116.661 -44.2203 64.0107 -90.9932 64.0129 -286.564 GPRESSURE: 2566400 90.3993 100.943 -129.954 156.443 -37.9707 112.031 -131.559 23.4676 -272.712 PRESSAVG: 2566400 -5.0636 33.4186 11.7149 33.4185 21.7378 -26.4064 11.7149 -26.4063 -12.8851 GPRESSAVG: 2566400 -5.30586 33.7503 12.9308 35.2777 23.5214 -25.1439 10.9784 -26.1334 -14.661 TIMING: 2566400 CPU: 7447.44, 0.0028978/step Wall: 7447.44, 0.0028978/step, 1.95891 hours remaining, 208.453125 MB of memory in use. ENERGY: 2566400 748.2393 2102.7775 1959.1517 100.0847 -206442.9070 17898.9408 0.0000 0.0000 33962.1669 -149671.5461 296.6001 -183633.7130 -149576.3793 297.7497 -108.3769 -73.4280 556566.9410 1.2630 1.1848 PRESSURE: 2566600 -277.616 16.38 23.675 16.3805 244.734 53.691 23.675 53.691 -115.984 GPRESSURE: 2566600 -169.988 23.7835 -0.780967 -54.2982 207.171 90.7322 64.5094 8.7245 -87.692 PRESSAVG: 2566600 13.6648 22.7032 -41.7955 22.7032 9.36477 -21.72 -41.7955 -21.72 -44.2135 GPRESSAVG: 2566600 12.8891 21.5318 -42.1911 21.6251 8.38311 -23.5816 -39.5219 -22.195 -42.4728 TIMING: 2566600 CPU: 7448.02, 0.00288078/step Wall: 7448.02, 0.00288078/step, 1.94725 hours remaining, 208.453125 MB of memory in use. ENERGY: 2566600 721.0716 2086.8999 1958.0805 118.3640 -206767.1784 17781.6529 0.0000 0.0000 34185.1371 -149915.9725 298.5473 -184101.1096 -149823.2005 297.8944 -49.6219 -16.8363 556364.2934 -7.0613 -7.0669 PRESSURE: 2566800 24.3846 57.8579 45.6347 57.8591 12.1754 -109.959 45.6345 -109.958 -106.893 GPRESSURE: 2566800 76.0816 26.0141 73.208 -11.955 41.5453 -175.949 -22.3921 -36.7031 -89.0915 PRESSAVG: 2566800 33.1505 -9.58616 -13.0711 -9.58612 -2.8925 54.3026 -13.071 54.3026 -0.271099 GPRESSAVG: 2566800 33.9569 -9.69526 -12.5248 -8.1652 -2.74565 56.2857 -15.0587 55.4632 -0.819446 TIMING: 2566800 CPU: 7448.6, 0.00290555/step Wall: 7448.6, 0.00290555/step, 1.96383 hours remaining, 208.453125 MB of memory in use. ENERGY: 2566800 730.2968 2097.7718 1954.4595 112.2379 -206935.3966 18031.2021 0.0000 0.0000 34088.9271 -149920.5014 297.7071 -184009.4285 -149824.2165 297.3081 -23.4444 9.5118 555570.4625 9.9956 10.1306 PRESSURE: 2567000 -268.178 4.58779 46.1147 4.58715 92.0894 -138.421 46.1159 -138.421 -390.006 GPRESSURE: 2567000 -205.684 20.529 43.8752 2.83854 95.8816 -65.2708 16.3995 -163.648 -379.685 PRESSAVG: 2567000 22.4441 2.84322 -14.0266 2.84315 16.4239 1.89777 -14.0267 1.89767 -0.54315 GPRESSAVG: 2567000 22.5022 5.73293 -14.2434 -0.360487 16.4813 2.69497 -12.8088 -0.254845 -1.02686 TIMING: 2567000 CPU: 7449.18, 0.0029124/step Wall: 7449.18, 0.0029124/step, 1.9683 hours remaining, 208.453125 MB of memory in use. ENERGY: 2567000 782.7342 2113.9911 1991.0132 111.0152 -206368.2911 17621.7490 0.0000 0.0000 34014.8661 -149732.9223 297.0603 -183747.7884 -149632.5235 297.2649 -188.6982 -163.1623 556775.1287 12.7749 12.6522 PRESSURE: 2567200 -350.744 88.3589 -84.061 88.3592 -97.1024 -14.2457 -84.0609 -14.2447 103.675 GPRESSURE: 2567200 -273.865 40.9924 -69.354 9.8477 -69.9808 -69.0121 -68.1516 84.4248 116.419 PRESSAVG: 2567200 53.8691 50.1092 -21.7008 50.1093 -13.7402 -3.63342 -21.7009 -3.6334 -15.265 GPRESSAVG: 2567200 55.0828 47.8082 -23.6949 51.5305 -14.0658 -6.65637 -20.9279 -1.13648 -15.6351 TIMING: 2567200 CPU: 7449.76, 0.00290561/step Wall: 7449.76, 0.00290561/step, 1.96355 hours remaining, 208.523438 MB of memory in use. ENERGY: 2567200 733.3551 2087.9368 1957.6487 103.6803 -206648.9794 17803.3000 0.0000 0.0000 34063.1230 -149899.9356 297.4817 -183963.0586 -149800.1703 297.5972 -114.7238 -75.8087 557062.7013 8.2880 8.4606 PRESSURE: 2567400 -13.0833 -99.9151 -64.0944 -99.9161 -83.2406 -40.5795 -64.0941 -40.5802 243.307 GPRESSURE: 2567400 71.4395 -109.569 -76.8817 -80.3695 -95.9145 -50.0893 28.6401 -63.9933 269.12 PRESSAVG: 2567400 -11.5411 -34.023 -9.68738 -34.023 -41.8275 38.0514 -9.68737 38.0514 10.4101 GPRESSAVG: 2567400 -12.639 -34.1392 -9.28056 -33.0564 -40.5012 38.9848 -9.3506 38.3749 9.85135 TIMING: 2567400 CPU: 7450.34, 0.00288745/step Wall: 7450.34, 0.00288745/step, 1.95111 hours remaining, 208.523438 MB of memory in use. ENERGY: 2567400 717.0470 2090.5892 1967.1106 105.3481 -206673.4948 17881.6244 0.0000 0.0000 33950.0088 -149961.7667 296.4939 -183911.7756 -149871.8108 297.4066 48.9944 81.5483 556174.0644 -14.3195 -14.4296 PRESSURE: 2567600 -294.897 -16.2184 59.3135 -16.2175 -380.067 24.2081 59.3133 24.2071 -250.557 GPRESSURE: 2567600 -297.735 0.512338 -14.7751 -23.8917 -302.817 -21.1697 95.1849 116.411 -233.194 PRESSAVG: 2567600 -1.81505 6.99354 17.0139 6.99341 -77.4932 -8.07562 17.0139 -8.07564 56.0131 GPRESSAVG: 2567600 -1.45592 7.55578 17.9235 3.69201 -78.6894 -9.13343 15.9518 -9.55667 56.7314 TIMING: 2567600 CPU: 7450.92, 0.00289334/step Wall: 7450.92, 0.00289334/step, 1.95494 hours remaining, 208.523438 MB of memory in use. ENERGY: 2567600 777.4744 2056.4365 1964.1966 107.8726 -206133.7165 17323.8723 0.0000 0.0000 34049.2459 -149854.6181 297.3605 -183903.8640 -149750.6647 296.8797 -308.5071 -277.9152 556190.8923 -7.7651 -7.8046 PRESSURE: 2567800 -135.586 -16.5854 -128.189 -16.5854 -216.928 88.4849 -128.191 88.485 27.812 GPRESSURE: 2567800 -99.4102 -31.1934 -161.966 -11.6993 -216.542 88.3992 -133.395 113.984 78.126 PRESSAVG: 2567800 -2.16627 6.53331 24.7909 6.53337 -39.5498 3.17383 24.7909 3.1738 57.4677 GPRESSAVG: 2567800 -1.51098 6.87077 23.3952 7.76148 -38.7676 3.23736 24.387 5.47832 56.113 TIMING: 2567800 CPU: 7451.5, 0.00290208/step Wall: 7451.5, 0.00290208/step, 1.96068 hours remaining, 208.523438 MB of memory in use. ENERGY: 2567800 750.6638 2043.7811 1962.8699 99.9872 -206189.1681 17684.8489 0.0000 0.0000 33810.4328 -149836.5844 295.2749 -183647.0173 -149743.0480 297.0945 -108.2339 -79.2753 557424.2958 5.2505 5.2782 PRESSURE: 2568000 -37.3481 -68.8581 -29.7973 -68.8584 99.6779 3.98484 -29.7971 3.98551 -2.99649 GPRESSURE: 2568000 26.52 -142.5 -58.8315 -31.6612 115.205 75.7163 47.4268 27.5182 22.0953 PRESSAVG: 2568000 -60.5519 0.582026 11.5252 0.582139 4.32113 -4.84372 11.5252 -4.84363 33.323 GPRESSAVG: 2568000 -60.954 -0.798773 11.8955 1.77419 2.80666 -5.45397 12.0263 -5.3385 34.9936 TIMING: 2568000 CPU: 7452.08, 0.00289527/step Wall: 7452.08, 0.00289527/step, 1.95592 hours remaining, 208.523438 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: 2568000 724.4626 2106.3470 1955.8967 118.5587 -206588.9584 17878.8847 0.0000 0.0000 34152.2921 -149652.5167 298.2605 -183804.8088 -149553.9898 297.3389 19.7778 54.6068 557603.8397 -7.6359 -7.7179 PRESSURE: 2568200 193.391 123.829 -27.0244 123.829 93.9315 45.0043 -27.0236 45.0051 68.3906 GPRESSURE: 2568200 258.9 102.826 -51.0207 145.918 119.036 36.8493 -33.1861 96.5905 62.7817 PRESSAVG: 2568200 -17.791 -82.3697 11.7967 -82.3697 20.584 41.3381 11.7967 41.338 34.7374 GPRESSAVG: 2568200 -17.1458 -81.4192 12.8124 -84.3773 22.3736 41.9531 12.1197 39.4339 32.3179 TIMING: 2568200 CPU: 7452.66, 0.00290108/step Wall: 7452.66, 0.00290108/step, 1.95968 hours remaining, 208.523438 MB of memory in use. ENERGY: 2568200 746.2706 2115.2081 1961.1454 105.9946 -206764.7393 18065.1841 0.0000 0.0000 34222.9630 -149547.9735 298.8776 -183770.9365 -149447.3380 297.8435 118.5709 146.9061 555819.8408 12.5102 12.5152 LDB: ============= START OF LOAD BALANCING ============== 7456.12 LDB: ============== END OF LOAD BALANCING =============== 7456.13 LDB: =============== DONE WITH MIGRATION ================ 7456.13 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 7456.42 LDB: Largest compute 4821 load 0.029892 is 25.4% of average load 0.117731 LDB: Average compute 0.001717 is 1.5% of average load 0.117731 LDB: TIME 7456.42 LOAD: AVG 0.117731 MAX 0.181019 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 7456.42 LOAD: AVG 0.117731 MAX 0.181019 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: TIME 7456.42 LOAD: AVG 0.117731 MAX 0.181019 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.262 MB LDB: ============== END OF LOAD BALANCING =============== 7456.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7456.43 PRESSURE: 2568400 86.3695 -58.4308 62.4373 -58.4316 -63.0956 -131.463 62.4382 -131.462 -80.5403 GPRESSURE: 2568400 112.722 12.7706 101.376 -64.6773 -23.7963 -93.5712 -19.3994 -119.956 -52.3967 PRESSAVG: 2568400 83.0173 -28.9489 68.5135 -28.9489 5.76816 30.2861 68.5135 30.2861 -60.2834 GPRESSAVG: 2568400 83.0615 -28.2606 67.7354 -29.1991 4.34283 31.363 68.1425 31.8805 -59.0278 TIMING: 2568400 CPU: 7453.25, 0.00297251/step Wall: 7453.25, 0.00297251/step, 2.00776 hours remaining, 205.746094 MB of memory in use. ENERGY: 2568400 741.5596 2166.1195 1958.5944 107.6111 -206356.8477 17869.1354 0.0000 0.0000 34094.3882 -149419.4395 297.7548 -183513.8278 -149323.8665 298.5360 -19.0888 12.1763 557390.2493 9.5007 9.4588 PRESSURE: 2568600 -191.767 -109.664 -96.7919 -109.665 -88.0926 -210.487 -96.7915 -210.487 -191.322 GPRESSURE: 2568600 -136.358 -69.8015 11.8011 -157.514 -39.9889 -291.993 -195.923 -164.57 -207.803 PRESSAVG: 2568600 46.5305 -12.3287 -0.421143 -12.3286 -31.9548 -24.7975 -0.421177 -24.7976 -37.7245 GPRESSAVG: 2568600 46.1791 -14.1786 1.31118 -12.0579 -32.2407 -24.7018 1.77389 -24.5255 -37.0212 TIMING: 2568600 CPU: 7453.83, 0.00288615/step Wall: 7453.83, 0.00288615/step, 1.94927 hours remaining, 205.949219 MB of memory in use. ENERGY: 2568600 745.8092 2080.5827 1949.9288 121.5877 -206298.3434 17712.7735 0.0000 0.0000 34049.7126 -149637.9491 297.3646 -183687.6616 -149543.2686 298.5889 -157.0608 -128.0498 556880.7264 -7.7163 -7.6943 PRESSURE: 2568800 -240.93 39.7974 32.4277 39.7966 -279.885 -153.889 32.4298 -153.89 -57.6511 GPRESSURE: 2568800 -170.633 121.387 126.617 10.8532 -263.347 -140.393 -6.16487 -103.908 -48.5241 PRESSAVG: 2568800 -0.511801 -1.8554 1.30794 -1.85536 3.91395 58.088 1.308 58.0881 -29.9396 GPRESSAVG: 2568800 -0.909425 -0.878429 0.510778 0.584814 4.39799 58.7287 -0.665279 56.2622 -30.3275 TIMING: 2568800 CPU: 7454.4, 0.00287973/step Wall: 7454.4, 0.00287973/step, 1.94478 hours remaining, 205.949219 MB of memory in use. ENERGY: 2568800 740.6748 2141.7537 1955.1028 112.8936 -206564.8781 17694.3962 0.0000 0.0000 34362.3111 -149557.7458 300.0946 -183920.0569 -149465.3776 297.5860 -192.8219 -160.8348 558749.6398 -8.8458 -8.9463 PRESSURE: 2569000 196.745 176.941 -24.3818 176.941 100.703 24.1507 -24.381 24.15 241.078 GPRESSURE: 2569000 246.501 114.544 32.3979 161.1 135.413 85.6741 49.3856 -62.2453 244.985 PRESSAVG: 2569000 -30.892 -14.7682 -6.99153 -14.7682 -36.9636 26.0478 -6.99144 26.0478 53.9607 GPRESSAVG: 2569000 -30.0571 -15.8572 -7.28345 -17.2903 -37.5623 23.831 -5.52391 26.768 53.902 TIMING: 2569000 CPU: 7454.98, 0.0028897/step Wall: 7454.98, 0.0028897/step, 1.95135 hours remaining, 205.949219 MB of memory in use. ENERGY: 2569000 747.4272 2080.1314 1956.3244 114.3319 -206827.9987 18123.4392 0.0000 0.0000 34144.0877 -149662.2570 298.1888 -183806.3447 -149561.7397 298.1949 179.5086 208.9664 556703.8381 -4.6316 -4.5725 PRESSURE: 2569200 -73.6799 190.884 -17.4681 190.885 30.2254 -95.327 -17.4675 -95.3285 0.4157 GPRESSURE: 2569200 -28.2369 228.383 -18.6901 244.617 72.5695 -48.9879 18.4951 -32.4328 20.4484 PRESSAVG: 2569200 76.7956 51.0339 7.50247 51.034 -20.0045 -18.508 7.50258 -18.5081 -58.673 GPRESSAVG: 2569200 77.6579 52.2744 6.19785 52.3644 -20.308 -17.1805 8.82979 -18.3984 -59.1148 TIMING: 2569200 CPU: 7455.56, 0.00289216/step Wall: 7455.56, 0.00289216/step, 1.95285 hours remaining, 205.949219 MB of memory in use. ENERGY: 2569200 770.6269 2097.1948 1944.2016 104.2499 -206602.0981 17980.8708 0.0000 0.0000 34070.8257 -149634.1283 297.5490 -183704.9540 -149540.7591 297.6368 -14.3463 21.5936 557825.9149 -0.6273 -0.5883 PRESSURE: 2569400 164.321 119.879 -21.8416 119.878 38.0976 -34.1947 -21.8415 -34.1937 179.289 GPRESSURE: 2569400 172.095 37.1117 -96.1935 254.492 97.4836 -25.1865 -23.5726 -5.41042 215.924 PRESSAVG: 2569400 -8.33552 45.0578 -1.28445 45.0578 -65.5473 -7.04872 -1.28448 -7.04873 61.6384 GPRESSAVG: 2569400 -10.3922 45.5296 0.164569 43.3505 -64.7895 -6.43136 -3.3772 -7.44596 62.0751 TIMING: 2569400 CPU: 7456.14, 0.00288628/step Wall: 7456.14, 0.00288628/step, 1.94872 hours remaining, 205.949219 MB of memory in use. ENERGY: 2569400 725.5181 2132.2412 1959.8208 106.2127 -206615.5071 18008.3971 0.0000 0.0000 33979.7043 -149703.6130 296.7532 -183683.3174 -149615.9486 298.0733 127.2358 161.8342 557143.9878 -4.0815 -4.3688 PRESSURE: 2569600 -50.574 3.83683 12.9024 3.83624 -115.775 29.9859 12.9026 29.9843 228.895 GPRESSURE: 2569600 -48.0692 32.2837 -48.0345 -29.4131 -50.0759 49.1966 51.0665 -10.1919 252.75 PRESSAVG: 2569600 20.2831 -9.68696 -28.4214 -9.68701 -20.4168 -30.4092 -28.4213 -30.4091 5.60781 GPRESSAVG: 2569600 21.1383 -10.6374 -28.4027 -6.50448 -20.0181 -33.9185 -27.0435 -29.1038 4.74255 TIMING: 2569600 CPU: 7456.71, 0.00287842/step Wall: 7456.71, 0.00287842/step, 1.94325 hours remaining, 205.949219 MB of memory in use. ENERGY: 2569600 744.6991 2109.1552 1946.3613 106.1498 -206584.4768 17986.0989 0.0000 0.0000 34122.1648 -149569.8477 297.9974 -183692.0125 -149473.1501 298.2008 20.8485 51.5351 558193.1853 1.8247 1.9543 PRESSURE: 2569800 20.1576 -79.7299 -113.282 -79.7293 120.098 -0.121012 -113.282 -0.12231 314.422 GPRESSURE: 2569800 5.45342 -63.6715 -84.1269 -7.34479 185.049 -51.2686 -178.396 -25.5618 359.042 PRESSAVG: 2569800 6.89592 -10.5207 0.693 -10.5207 -37.9855 -26.1963 0.693028 -26.1962 49.2213 GPRESSAVG: 2569800 7.12628 -12.3404 1.39978 -12.1761 -38.9392 -22.3299 -0.215217 -28.4464 50.2199 TIMING: 2569800 CPU: 7457.29, 0.00287458/step Wall: 7457.29, 0.00287458/step, 1.9405 hours remaining, 206.074219 MB of memory in use. ENERGY: 2569800 712.0517 2110.5803 1933.5223 117.2035 -206685.6853 18233.3758 0.0000 0.0000 33995.1437 -149583.8079 296.8880 -183578.9517 -149493.0781 297.7405 151.5591 183.1814 558930.5087 6.0439 6.1356 PRESSURE: 2570000 -86.1929 -3.49315 -42.1931 -3.49326 137.42 187.093 -42.1941 187.092 54.1583 GPRESSURE: 2570000 -37.8032 66.0046 23.4742 -31.8571 150.809 189.656 -109.84 178.874 75.2048 PRESSAVG: 2570000 30.5785 27.2708 -43.0317 27.2709 -61.5962 17.0935 -43.0318 17.0935 49.6474 GPRESSAVG: 2570000 29.9862 28.2068 -45.3643 28.0659 -61.0576 17.7231 -40.1233 15.6106 49.3716 TIMING: 2570000 CPU: 7457.86, 0.00286652/step Wall: 7457.86, 0.00286652/step, 1.9349 hours remaining, 206.074219 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: 2570000 745.8999 2109.1686 1969.8861 109.8519 -206586.3625 18033.3928 0.0000 0.0000 34008.7708 -149609.3924 297.0071 -183618.1632 -149514.8968 297.7258 35.1283 62.7367 558135.8565 6.2099 6.1001 PRESSURE: 2570200 -221.461 -66.9388 -435.527 -66.9385 -251.151 -148.709 -435.525 -148.71 -74.5945 GPRESSURE: 2570200 -129.761 -34.7979 -270.628 -17.6011 -232.183 -112.776 -449.251 -165.924 -84.3485 PRESSAVG: 2570200 12.0958 2.49003 -58.1968 2.48997 42.9526 -32.9054 -58.1969 -32.9054 -6.50265 GPRESSAVG: 2570200 11.7353 3.93201 -55.639 1.03103 42.9673 -34.8115 -60.5955 -31.0088 -5.84709 TIMING: 2570200 CPU: 7458.44, 0.00287629/step Wall: 7458.44, 0.00287629/step, 1.94134 hours remaining, 206.074219 MB of memory in use. ENERGY: 2570200 777.1142 2107.5780 1952.9127 114.6708 -206370.4735 17707.5879 0.0000 0.0000 34021.1529 -149689.4570 297.1152 -183710.6099 -149594.2135 297.0750 -182.4024 -148.7643 558519.2556 16.1819 16.2852 PRESSURE: 2570400 24.9869 128.911 19.1376 128.911 -4.70832 -133.087 19.1374 -133.087 -190.268 GPRESSURE: 2570400 -3.45251 185.856 4.51684 88.4109 51.4576 -76.2935 43.8909 -214.292 -119.285 PRESSAVG: 2570400 -56.6361 65.2463 -4.93174 65.2464 36.6499 -21.8451 -4.93174 -21.8452 -22.9204 GPRESSAVG: 2570400 -57.0563 66.734 -5.64781 64.5613 36.6199 -19.8408 -3.37845 -22.4268 -22.3218 TIMING: 2570400 CPU: 7459.01, 0.00288146/step Wall: 7459.01, 0.00288146/step, 1.94466 hours remaining, 206.074219 MB of memory in use. ENERGY: 2570400 744.2862 2116.8763 1967.8096 111.8133 -206439.5884 17775.5640 0.0000 0.0000 34032.4567 -149690.7823 297.2139 -183723.2390 -149591.4833 297.6138 -56.6632 -23.7601 557047.6609 -14.3022 -14.2527 PRESSURE: 2570600 -104.222 7.94476 39.1613 7.94559 -6.74339 -118.856 39.1618 -118.857 136.855 GPRESSURE: 2570600 -71.553 -20.1472 23.5854 -64.3952 5.01291 -47.8107 -20.9166 -163.409 179.541 PRESSAVG: 2570600 -19.1501 43.6173 -18.7093 43.6172 -1.66725 -43.8042 -18.7093 -43.8043 30.7878 GPRESSAVG: 2570600 -17.4736 41.0179 -17.2389 44.1377 -1.57239 -45.8825 -20.7526 -42.207 29.653 TIMING: 2570600 CPU: 7459.59, 0.00289342/step Wall: 7459.59, 0.00289342/step, 1.95257 hours remaining, 206.074219 MB of memory in use. ENERGY: 2570600 733.7079 2131.6580 1967.5219 112.3639 -206460.0602 17992.1509 0.0000 0.0000 33953.4617 -149569.1960 296.5240 -183522.6577 -149465.3959 298.1810 8.6297 37.6669 558482.3112 3.3235 3.5357 PRESSURE: 2570800 162.389 146.008 -162.617 146.007 -160.374 2.00354 -162.616 2.0035 99.3257 GPRESSURE: 2570800 148.099 -23.8524 -120.358 211.2 -104.615 -2.14637 -303.782 25.7977 156.144 PRESSAVG: 2570800 1.41015 -26.2088 -34.5238 -26.2088 32.1508 24.9273 -34.5237 24.9273 -38.669 GPRESSAVG: 2570800 0.303855 -27.0102 -34.3128 -26.2643 32.6789 25.4296 -34.2673 26.1762 -38.6668 TIMING: 2570800 CPU: 7460.17, 0.00287984/step Wall: 7460.17, 0.00287984/step, 1.94325 hours remaining, 206.074219 MB of memory in use. ENERGY: 2570800 704.3191 2083.7743 1975.3573 110.8437 -206568.7676 17833.7637 0.0000 0.0000 34345.8715 -149514.8380 299.9510 -183860.7095 -149418.5883 298.7279 33.7801 66.5426 557444.4679 -1.7027 -1.8947 PRESSURE: 2571000 288.373 -249.778 -14.21 -249.779 268.997 -106.041 -14.2107 -106.041 -13.7211 GPRESSURE: 2571000 264.144 -300.398 8.98762 -253.838 334.57 -95.3263 1.22942 -31.574 56.1611 PRESSAVG: 2571000 38.148 -67.3849 -23.1234 -67.3848 52.0017 -13.6174 -23.1234 -13.6175 -60.367 GPRESSAVG: 2571000 38.5026 -67.2073 -22.6992 -67.5441 52.0566 -15.0179 -22.0379 -13.3426 -60.5164 TIMING: 2571000 CPU: 7460.75, 0.00290189/step Wall: 7460.75, 0.00290189/step, 1.95797 hours remaining, 206.074219 MB of memory in use. ENERGY: 2571000 780.8529 2140.1950 1947.1861 110.2855 -206848.6807 18263.9408 0.0000 0.0000 34097.1876 -149509.0328 297.7792 -183606.2204 -149421.0883 298.4944 181.2166 218.2917 557173.4762 9.9275 10.0142 PRESSURE: 2571200 -333.679 105.805 103.36 105.804 54.1418 74.234 103.36 74.2335 -110.504 GPRESSURE: 2571200 -355.826 102.436 87.6228 53.0943 108.464 39.1455 68.8251 102.468 -63.043 PRESSAVG: 2571200 9.29188 -28.7456 8.83618 -28.7456 21.7068 11.6384 8.83614 11.6383 -55.5253 GPRESSAVG: 2571200 10.3444 -26.8511 7.06623 -29.0709 20.5365 12.886 8.86031 11.1653 -55.1903 TIMING: 2571200 CPU: 7461.33, 0.00288787/step Wall: 7461.33, 0.00288787/step, 1.94835 hours remaining, 206.074219 MB of memory in use. ENERGY: 2571200 710.8268 2160.1799 1973.4248 109.6371 -206131.6716 17603.0992 0.0000 0.0000 34253.1194 -149321.3845 299.1410 -183574.5039 -149218.4609 298.8696 -130.0139 -103.4682 557346.8622 -8.1755 -8.1031 PRESSURE: 2571400 -97.1827 74.2529 198.889 74.2526 -79.5802 -54.8483 198.889 -54.8486 -135.044 GPRESSURE: 2571400 -85.9015 111.882 180.694 106.658 -41.7057 0.7978 85.6111 -158.273 -91.1577 PRESSAVG: 2571400 -16.2675 23.884 -44.0002 23.884 -2.38024 15.2531 -44.0003 15.2531 33.6442 GPRESSAVG: 2571400 -17.5794 21.1885 -45.6235 24.8208 -1.53187 14.1798 -44.3134 14.776 33.9679 TIMING: 2571400 CPU: 7461.9, 0.0028803/step Wall: 7461.9, 0.0028803/step, 1.94308 hours remaining, 206.074219 MB of memory in use. ENERGY: 2571400 754.0878 2119.7513 1978.1550 117.2218 -206293.8495 17587.5285 0.0000 0.0000 34291.9187 -149445.1863 299.4799 -183737.1050 -149346.9605 299.2211 -103.9358 -72.9217 556461.7329 4.9988 4.9522 PRESSURE: 2571600 -104.49 -110.324 -36.1443 -110.326 54.0026 -10.2408 -36.1448 -10.2404 -81.9477 GPRESSURE: 2571600 -102.854 -76.1255 -88.3483 -130.484 100.592 4.0464 -18.5137 7.43715 -35.1191 PRESSAVG: 2571600 -8.44014 -14.137 0.281248 -14.1371 53.451 21.3843 0.281138 21.3843 -71.4521 GPRESSAVG: 2571600 -8.8185 -12.0291 2.43359 -16.1195 52.8315 22.2367 0.161274 22.3252 -70.8494 TIMING: 2571600 CPU: 7462.48, 0.00290505/step Wall: 7462.48, 0.00290505/step, 1.95962 hours remaining, 206.074219 MB of memory in use. ENERGY: 2571600 734.4133 2071.4058 1980.3966 115.9063 -206631.7589 17919.5089 0.0000 0.0000 34369.7597 -149440.3683 300.1597 -183810.1280 -149340.8177 299.0566 -44.1452 -12.4606 557057.6672 -8.8137 -8.9455 PRESSURE: 2571800 12.0157 0.393396 23.8839 0.394149 58.5505 -3.79926 23.8847 -3.79948 260.191 GPRESSURE: 2571800 40.184 -37.6389 -15.5317 25.6461 127.463 -46.6016 115.735 -22.2072 278.839 PRESSAVG: 2571800 -21.9554 42.4219 1.96252 42.4219 -14.9218 -43.1013 1.96266 -43.1013 17.3431 GPRESSAVG: 2571800 -21.261 40.8161 1.21823 43.3104 -14.8992 -45.1887 3.6269 -44.875 17.1287 TIMING: 2571800 CPU: 7463.06, 0.00290101/step Wall: 7463.06, 0.00290101/step, 1.95673 hours remaining, 206.074219 MB of memory in use. ENERGY: 2571800 751.8119 2048.2457 1947.4305 112.0420 -206295.6008 17829.6766 0.0000 0.0000 34156.5841 -149449.8098 298.2979 -183606.3940 -149351.6653 298.7831 110.2524 148.8286 556826.9962 -6.5114 -6.3438 PRESSURE: 2572000 162.377 10.2606 -24.4331 10.2605 -127.311 -65.0135 -24.4336 -65.0136 571.553 GPRESSURE: 2572000 200.176 75.9298 2.73189 -41.5228 -76.1761 -42.4009 4.30042 -55.2313 592.023 PRESSAVG: 2572000 95.7624 2.4017 14.3957 2.40176 -78.5751 -32.7861 14.3956 -32.7859 41.68 GPRESSAVG: 2572000 95.6242 3.00277 15.5695 3.46306 -78.6222 -31.0323 13.288 -32.1895 41.8931 TIMING: 2572000 CPU: 7463.65, 0.00291053/step Wall: 7463.65, 0.00291053/step, 1.96299 hours remaining, 206.074219 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: 2572000 699.5852 2108.8253 1961.3239 121.2778 -206811.3603 18133.6194 0.0000 0.0000 34416.8496 -149369.8791 300.5709 -183786.7287 -149273.0541 298.5364 202.2064 238.6743 556788.8401 19.6224 19.6317 PRESSURE: 2572200 11.3707 -28.4922 -160.727 -28.4907 54.5132 -16.9219 -160.727 -16.9202 31.5912 GPRESSURE: 2572200 -7.36594 -16.3897 -146.291 -28.2232 121.36 -40.319 -198.755 66.3364 77.6716 PRESSAVG: 2572200 1.94057 -30.9488 -32.622 -30.9487 7.42374 -4.2309 -32.622 -4.2309 -5.66834 GPRESSAVG: 2572200 2.60295 -29.7167 -33.5964 -31.9573 7.21464 -5.53526 -33.7815 -2.03215 -6.36318 TIMING: 2572200 CPU: 7464.22, 0.00289544/step Wall: 7464.22, 0.00289544/step, 1.95266 hours remaining, 206.074219 MB of memory in use. ENERGY: 2572200 778.9024 2129.8548 1963.5209 127.1326 -206504.7702 17961.1592 0.0000 0.0000 34160.0366 -149384.1637 298.3281 -183544.2003 -149292.9254 299.5501 32.4917 63.8884 557567.6401 1.2320 1.1515 LDB: ============= START OF LOAD BALANCING ============== 7467.69 LDB: ============== END OF LOAD BALANCING =============== 7467.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7467.69 LDB: ============= START OF LOAD BALANCING ============== 7467.98 LDB: Largest compute 4821 load 0.030361 is 25.8% of average load 0.117677 LDB: Average compute 0.001719 is 1.5% of average load 0.117677 LDB: TIME 7467.98 LOAD: AVG 0.117677 MAX 0.178979 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.676 MB LDB: TIME 7467.98 LOAD: AVG 0.117677 MAX 0.178979 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: TIME 7467.99 LOAD: AVG 0.117677 MAX 0.178979 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.68 MB LDB: ============== END OF LOAD BALANCING =============== 7467.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7467.99 PRESSURE: 2572400 -154.546 -64.7585 -13.4019 -64.758 58.2956 76.3653 -13.4026 76.3655 -132.043 GPRESSURE: 2572400 -174.373 -4.69282 -67.2325 -114.342 114.798 98.3426 25.7301 137.064 -69.362 PRESSAVG: 2572400 -14.4068 15.9725 -14.3892 15.9725 -46.5654 -1.14153 -14.3893 -1.1415 26.5469 GPRESSAVG: 2572400 -15.7151 14.787 -13.1876 16.4492 -44.6597 -0.246905 -13.3663 -2.45478 25.4874 TIMING: 2572400 CPU: 7464.82, 0.00295636/step Wall: 7464.82, 0.00295636/step, 1.99357 hours remaining, 206.503906 MB of memory in use. ENERGY: 2572400 731.6388 2051.5929 1979.1841 102.2565 -206386.6156 17674.8127 0.0000 0.0000 34399.5411 -149447.5895 300.4197 -183847.1306 -149345.5762 298.7498 -76.0978 -42.9790 556348.9799 -11.4751 -11.6291 PRESSURE: 2572600 -131.334 113.119 204.399 113.119 -118.355 81.6409 204.4 81.6406 -54.6429 GPRESSURE: 2572600 -82.7027 113.687 283.29 39.9378 -62.7935 11.1866 97.2873 77.6081 -56.2363 PRESSAVG: 2572600 3.4084 -32.3361 -21.7586 -32.3361 32.6419 -18.6368 -21.7587 -18.6369 4.56149 GPRESSAVG: 2572600 4.15107 -29.3028 -22.7896 -33.0539 30.427 -18.1676 -22.191 -19.609 5.74128 TIMING: 2572600 CPU: 7465.39, 0.00289308/step Wall: 7465.39, 0.00289308/step, 1.95074 hours remaining, 206.503906 MB of memory in use. ENERGY: 2572600 742.5893 2069.7878 1960.8771 110.4450 -206275.3921 17686.1886 0.0000 0.0000 34170.7262 -149534.7780 298.4215 -183705.5042 -149440.2611 298.6131 -101.4439 -67.2442 557125.8263 13.5373 13.4398 PRESSURE: 2572800 35.4005 28.2148 12.3058 28.2154 66.2775 79.1881 12.3062 79.1881 43.4765 GPRESSURE: 2572800 -5.12161 -39.7667 -49.0168 78.1109 108.108 64.5667 62.536 52.9344 136.695 PRESSAVG: 2572800 26.1205 -68.0676 20.7987 -68.0676 -9.23814 -15.0533 20.7987 -15.0533 15.3644 GPRESSAVG: 2572800 26.0462 -70.3944 21.3695 -68.7087 -9.58309 -16.471 21.0998 -13.6088 15.6305 TIMING: 2572800 CPU: 7465.97, 0.00290173/step Wall: 7465.97, 0.00290173/step, 1.95641 hours remaining, 206.503906 MB of memory in use. ENERGY: 2572800 719.4891 2127.4755 1961.1664 112.0558 -206458.7993 17828.4286 0.0000 0.0000 34184.2195 -149525.9644 298.5393 -183710.1839 -149429.8872 298.3842 48.3848 79.8938 555501.9348 10.7489 10.6978 PRESSURE: 2573000 -343.806 -34.4543 40.4203 -34.453 -206.258 -30.2685 40.4202 -30.2668 50.0082 GPRESSURE: 2573000 -267.872 -1.34405 50.2188 -38.661 -214.971 -88.9965 -110.185 -65.6635 79.1531 PRESSAVG: 2573000 6.23754 3.05095 -32.1709 3.05095 4.53195 11.6299 -32.1708 11.63 13.8875 GPRESSAVG: 2573000 6.16775 3.04329 -31.5993 3.32443 4.71532 11.5622 -35.3389 11.31 13.3491 TIMING: 2573000 CPU: 7466.56, 0.00290749/step Wall: 7466.56, 0.00290749/step, 1.96013 hours remaining, 206.707031 MB of memory in use. ENERGY: 2573000 733.9163 2070.2357 1946.6767 125.5748 -205991.2618 17535.5048 0.0000 0.0000 34152.9099 -149426.4436 298.2659 -183579.3535 -149330.7117 298.1673 -166.6853 -134.5634 557133.9519 8.2190 8.0774 PRESSURE: 2573200 -62.0904 -18.496 -123.457 -18.4961 -295.36 45.9685 -123.458 45.9688 -222.63 GPRESSURE: 2573200 27.3135 -13.3618 -173.962 -62.799 -230.276 -13.1837 -133.156 50.1941 -278.961 PRESSAVG: 2573200 63.371 35.1946 -23.534 35.1946 -60.3454 39.3533 -23.5339 39.3533 -9.86249 GPRESSAVG: 2573200 63.9217 35.2522 -23.634 35.3004 -61.2846 41.1204 -21.8843 38.1163 -9.77937 TIMING: 2573200 CPU: 7467.14, 0.00289584/step Wall: 7467.14, 0.00289584/step, 1.95212 hours remaining, 206.910156 MB of memory in use. ENERGY: 2573200 743.7590 2063.8269 1976.6588 113.5897 -206044.4219 17539.9657 0.0000 0.0000 34278.9398 -149327.6818 299.3665 -183606.6216 -149231.7315 298.4386 -193.3602 -160.6410 557562.0851 -2.2790 -2.3808 PRESSURE: 2573400 -69.1683 -68.2851 7.507 -68.2844 -38.7239 -136.302 7.50693 -136.3 -29.0363 GPRESSURE: 2573400 -0.961257 -26.4681 116.403 -114.159 -25.6398 -82.2442 0.0563734 -178.323 -12.5671 PRESSAVG: 2573400 37.1558 -8.54515 -31.65 -8.54507 10.6406 35.3253 -31.6501 35.3252 -27.1059 GPRESSAVG: 2573400 35.5641 -7.65562 -32.2763 -8.27539 12.1375 35.658 -32.2647 34.5664 -27.8212 TIMING: 2573400 CPU: 7467.71, 0.00289486/step Wall: 7467.71, 0.00289486/step, 1.9513 hours remaining, 206.910156 MB of memory in use. ENERGY: 2573400 725.3553 2062.6853 1961.4582 114.1856 -206291.5994 17770.5460 0.0000 0.0000 34281.9476 -149375.4214 299.3928 -183657.3690 -149268.3191 298.6040 -45.6428 -13.0561 557370.2506 6.8968 6.6268 PRESSURE: 2573600 -271.564 -8.98042 -76.7808 -8.98029 -373.015 53.6674 -76.7799 53.667 -221.091 GPRESSURE: 2573600 -297.8 38.8716 -188.062 -76.7023 -303.223 30.3057 2.74338 38.1821 -166.095 PRESSAVG: 2573600 34.9608 13.6288 -65.2459 13.6288 2.65775 60.503 -65.2459 60.5031 -18.7988 GPRESSAVG: 2573600 35.6137 12.836 -67.5361 14.5301 1.58546 60.3935 -62.4752 61.1502 -18.8353 TIMING: 2573600 CPU: 7468.29, 0.00289224/step Wall: 7468.29, 0.00289224/step, 1.94937 hours remaining, 206.910156 MB of memory in use. ENERGY: 2573600 752.2454 2074.6999 1971.9193 122.6618 -206058.3445 17540.7233 0.0000 0.0000 34359.1904 -149236.9044 300.0674 -183596.0949 -149144.9044 299.8534 -288.5566 -255.7062 558104.1937 6.2733 6.1213 PRESSURE: 2573800 -9.01524 59.0554 -11.9194 59.055 181.192 -9.68687 -11.9192 -9.68638 61.5296 GPRESSURE: 2573800 20.4618 30.9034 38.6837 122.512 168.041 -22.2326 -33.7364 -42.0494 147.669 PRESSAVG: 2573800 15.3953 -12.0548 -9.02807 -12.0548 -0.875658 46.0227 -9.0281 46.0227 -28.9936 GPRESSAVG: 2573800 14.3497 -10.0686 -7.39016 -12.4374 0.232642 44.4581 -10.4224 45.5756 -28.6636 TIMING: 2573800 CPU: 7468.87, 0.00289397/step Wall: 7468.87, 0.00289397/step, 1.95037 hours remaining, 206.910156 MB of memory in use. ENERGY: 2573800 744.7159 2136.3140 1964.5037 121.5636 -206669.1102 18065.2280 0.0000 0.0000 34433.2296 -149203.5554 300.7140 -183636.7850 -149107.0562 299.6383 77.9020 112.0572 556647.5980 -4.8246 -4.6938 PRESSURE: 2574000 -176.563 6.02624 -85.4415 6.02652 16.0249 -25.9918 -85.4409 -25.9926 -129.471 GPRESSURE: 2574000 -193.138 39.4815 -9.43971 -85.0194 11.8164 -25.1078 -148.133 -9.6184 -13.3989 PRESSAVG: 2574000 -27.4858 16.0356 -113.818 16.0357 37.7409 -19.4703 -113.818 -19.4703 37.1754 GPRESSAVG: 2574000 -27.8205 14.3481 -111.825 16.9738 36.7589 -18.3215 -112.851 -19.2707 38.0022 TIMING: 2574000 CPU: 7469.45, 0.00288153/step Wall: 7469.45, 0.00288153/step, 1.94183 hours remaining, 206.910156 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: 2574000 753.3249 2083.9964 1952.0299 109.1146 -206343.4682 17809.9726 0.0000 0.0000 34410.5254 -149224.5045 300.5157 -183635.0299 -149128.2613 299.8297 -96.6697 -64.9069 556908.8013 15.8101 15.6469 PRESSURE: 2574200 -55.8288 79.8689 -249.65 79.8682 -35.4078 108.251 -249.649 108.252 -26.0007 GPRESSURE: 2574200 -25.4944 146.624 -255.55 19.3079 -15.6079 52.8847 -220.604 95.0011 9.73078 PRESSAVG: 2574200 -25.4148 37.3419 -20.0366 37.3418 5.20081 -27.9196 -20.0365 -27.9197 31.884 GPRESSAVG: 2574200 -24.4177 38.1026 -21.3004 36.6416 4.77971 -27.7495 -22.3935 -27.9981 31.1265 TIMING: 2574200 CPU: 7470.03, 0.00293128/step Wall: 7470.03, 0.00293128/step, 1.97519 hours remaining, 206.910156 MB of memory in use. ENERGY: 2574200 758.0534 2088.4402 1940.4556 127.0115 -205917.8153 17721.3003 0.0000 0.0000 34274.8748 -149007.6796 299.3310 -183282.5543 -148915.6431 299.5445 -39.0791 -10.4572 557736.1838 3.8900 3.8295 PRESSURE: 2574400 -164.802 -130.522 -97.0549 -130.521 -40.6656 53.8202 -97.0545 53.8198 -155.657 GPRESSURE: 2574400 -108.132 -103.79 -56.9235 -145.62 -29.0398 -15.7639 -77.1875 120.373 -127.305 PRESSAVG: 2574400 3.61271 -0.389009 -25.7685 -0.389048 9.0921 76.9778 -25.7684 76.9779 -12.2164 GPRESSAVG: 2574400 3.45145 -2.20525 -25.0591 1.14824 10.2387 76.7378 -23.824 78.1186 -12.7358 TIMING: 2574400 CPU: 7470.61, 0.00288024/step Wall: 7470.61, 0.00288024/step, 1.94064 hours remaining, 206.910156 MB of memory in use. ENERGY: 2574400 771.1662 2110.2565 1959.4419 122.5900 -205808.9098 17682.2292 0.0000 0.0000 34371.7466 -148791.4793 300.1770 -183163.2259 -148690.6700 300.1085 -120.3748 -88.1591 557939.0412 0.1628 0.3181 PRESSURE: 2574600 211.159 -174.922 -45.854 -174.922 -243.969 89.3169 -45.8549 89.3155 255.665 GPRESSURE: 2574600 187.387 -166.303 10.1444 -136.464 -178.147 134.89 17.8722 20.6897 310.726 PRESSAVG: 2574600 3.05258 -27.2839 -19.3319 -27.2839 -42.4198 -3.81676 -19.3319 -3.81671 18.8979 GPRESSAVG: 2574600 2.84154 -28.1205 -20.0852 -28.016 -42.9834 -2.43909 -18.1455 -6.01563 20.1845 TIMING: 2574600 CPU: 7471.19, 0.00288725/step Wall: 7471.19, 0.00288725/step, 1.9452 hours remaining, 206.910156 MB of memory in use. ENERGY: 2574600 758.3146 2069.7273 1962.4015 98.8295 -205636.2399 17752.4690 0.0000 0.0000 34366.9143 -148627.5837 300.1348 -182994.4979 -148531.6295 300.3899 74.2849 106.6552 557755.7011 -6.8231 -6.6525 PRESSURE: 2574800 144.982 35.0872 -80.9097 35.0873 16.6461 99.7919 -80.9103 99.7904 -211.589 GPRESSURE: 2574800 141.503 -31.9505 -8.17694 80.0228 76.1139 74.0881 -69.4859 47.2846 -163.969 PRESSAVG: 2574800 25.4724 24.7873 -10.5138 24.7872 -42.8176 90.7187 -10.5137 90.7188 38.2142 GPRESSAVG: 2574800 26.3486 25.1108 -8.27107 24.5632 -42.0729 89.596 -13.9502 93.6448 36.2215 TIMING: 2574800 CPU: 7471.77, 0.00289188/step Wall: 7471.77, 0.00289188/step, 1.94816 hours remaining, 206.910156 MB of memory in use. ENERGY: 2574800 787.8739 2088.7296 1990.1925 113.6823 -205995.4937 17868.2917 0.0000 0.0000 34360.8116 -148785.9121 300.0815 -183146.7237 -148688.0782 300.1663 -16.6536 17.8828 557457.4391 6.9563 6.8324 PRESSURE: 2575000 21.8445 136.327 -108.521 136.328 -119.25 21.9271 -108.521 21.9257 -230.522 GPRESSURE: 2575000 82.5161 150.3 -47.525 85.7765 -94.0829 88.9353 -8.66616 -17.0393 -207.915 PRESSAVG: 2575000 89.6923 -0.062036 24.2215 -0.0620714 -17.9429 37.45 24.2215 37.45 -63.5982 GPRESSAVG: 2575000 89.1996 0.383749 22.2222 -0.823763 -18.8248 39.4924 27.1248 33.7964 -61.7883 TIMING: 2575000 CPU: 7472.35, 0.00290193/step Wall: 7472.35, 0.00290193/step, 1.95477 hours remaining, 206.910156 MB of memory in use. ENERGY: 2575000 749.4855 2086.1150 1938.6405 114.6023 -205294.2344 17402.3171 0.0000 0.0000 34230.8652 -148772.2088 298.9467 -183003.0740 -148669.3311 300.1812 -109.3090 -73.1605 557943.8022 2.7171 2.8622 PRESSURE: 2575200 115.357 5.63416 -196.453 5.63327 38.4636 86.1133 -196.452 86.1119 69.2748 GPRESSURE: 2575200 107.666 -89.571 -185.483 87.8928 79.4185 98.2972 -200.581 18.1877 127.183 PRESSAVG: 2575200 62.489 12.2277 -54.42 12.2277 8.73182 24.9446 -54.42 24.9446 -104.047 GPRESSAVG: 2575200 62.0793 11.5345 -56.1547 13.7444 9.55722 21.1988 -54.2971 28.1162 -105.124 TIMING: 2575200 CPU: 7472.93, 0.00291341/step Wall: 7472.93, 0.00291341/step, 1.96234 hours remaining, 206.910156 MB of memory in use. ENERGY: 2575200 716.2007 2064.6988 1959.8672 104.0630 -206010.6934 17819.5816 0.0000 0.0000 34379.5088 -148966.7734 300.2448 -183346.2821 -148870.2108 299.5052 74.3650 104.7556 558163.2920 -10.9422 -11.1626 PRESSURE: 2575400 151.027 81.0118 -89.1874 81.0122 -47.4434 3.75351 -89.1879 3.75136 174.368 GPRESSURE: 2575400 190.639 100.936 -87.9528 39.7205 -18.4783 -78.7548 -84.1914 98.1252 204.722 PRESSAVG: 2575400 11.4443 41.5988 -7.19261 41.5988 -50.7039 15.5186 -7.19261 15.5185 31.3427 GPRESSAVG: 2575400 12.3918 43.4896 -3.38302 39.6431 -52.6279 18.0633 -8.88095 14.6725 31.8004 TIMING: 2575400 CPU: 7473.51, 0.00291566/step Wall: 7473.51, 0.00291566/step, 1.9637 hours remaining, 206.910156 MB of memory in use. ENERGY: 2575400 771.6926 2107.6601 1955.3466 119.4427 -206197.4726 17993.8747 0.0000 0.0000 34179.1255 -149070.3304 298.4948 -183249.4559 -148965.4922 299.5488 92.6506 125.6276 556636.6366 -2.6390 -2.8119 PRESSURE: 2575600 -99.7494 49.9765 -41.2362 49.9768 33.3663 -79.2161 -41.2353 -79.2169 35.7807 GPRESSURE: 2575600 -159.388 72.2752 6.7839 38.7573 135.532 -28.2172 -87.3649 -130.57 80.0392 PRESSAVG: 2575600 -37.1922 10.1282 0.982676 10.1283 -4.08323 8.25402 0.982659 8.254 84.1961 GPRESSAVG: 2575600 -37.9267 8.37182 -2.09706 10.7234 -2.84739 5.98473 3.69493 7.06482 83.3456 TIMING: 2575600 CPU: 7474.09, 0.00291194/step Wall: 7474.09, 0.00291194/step, 1.96103 hours remaining, 206.910156 MB of memory in use. ENERGY: 2575600 769.2395 2051.8549 1940.4290 112.6758 -206279.9478 18066.1683 0.0000 0.0000 34259.4331 -149080.1472 299.1961 -183339.5802 -148985.6727 298.9062 -10.2008 18.7278 557516.6671 14.3069 14.1905 PRESSURE: 2575800 25.5846 -129.326 -67.9864 -129.325 210.916 67.9665 -67.9861 67.9663 107.014 GPRESSURE: 2575800 34.696 -131.58 -117.89 -85.7087 221.593 130.859 -47.4596 17.4519 170.9 PRESSAVG: 2575800 -2.94884 3.15005 9.38132 3.1501 -14.5457 -16.4616 9.38135 -16.4616 36.5929 GPRESSAVG: 2575800 -3.149 3.7137 11.7026 3.80336 -14.9621 -15.1957 6.60287 -16.365 37.907 TIMING: 2575800 CPU: 7474.67, 0.00288819/step Wall: 7474.67, 0.00288819/step, 1.94488 hours remaining, 206.910156 MB of memory in use. ENERGY: 2575800 751.0413 1986.2393 1956.0575 116.7300 -205931.8081 17720.1604 0.0000 0.0000 34257.4915 -149144.0881 299.1792 -183401.5795 -149042.6524 298.8464 114.5049 142.3963 556145.7500 6.3661 6.5986 PRESSURE: 2576000 56.3094 -86.1935 149.296 -86.1922 133.925 -237.738 149.296 -237.739 252.083 GPRESSURE: 2576000 152.096 -99.2605 131.005 -123.436 181.981 -205.447 138.932 -188.35 190.056 PRESSAVG: 2576000 3.56926 -27.4802 15.2806 -27.4802 -27.2884 -24.0992 15.2807 -24.0993 17.6648 GPRESSAVG: 2576000 3.82503 -28.3099 15.8606 -26.3405 -26.9128 -21.8484 15.8471 -22.4094 16.3184 TIMING: 2576000 CPU: 7475.25, 0.0028968/step Wall: 7475.25, 0.0028968/step, 1.95051 hours remaining, 206.910156 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: 2576000 724.6361 2055.1882 1925.7773 116.0030 -206246.2809 17906.1881 0.0000 0.0000 34235.8147 -149282.6735 298.9899 -183518.4882 -149186.1620 298.5724 147.4394 174.7111 555737.6546 -2.0181 -2.2565 PRESSURE: 2576200 70.0738 37.9194 16.0685 37.9208 83.9474 -103.614 16.0679 -103.616 -66.8152 GPRESSURE: 2576200 114.91 108.752 50.1194 30.5596 112.299 -96.1227 24.9486 -106.02 -39.3092 PRESSAVG: 2576200 34.1098 13.4994 32.765 13.4995 33.6236 -10.7385 32.765 -10.7384 -21.473 GPRESSAVG: 2576200 34.7721 13.2488 32.4195 13.5719 33.7288 -12.2592 34.0351 -11.3332 -21.7403 TIMING: 2576200 CPU: 7475.83, 0.00290476/step Wall: 7475.83, 0.00290476/step, 1.95571 hours remaining, 206.910156 MB of memory in use. ENERGY: 2576200 739.3200 2056.4540 1967.6289 119.0220 -206164.1180 17845.3705 0.0000 0.0000 34302.5139 -149133.8086 299.5724 -183436.3225 -149033.0470 298.7617 29.0686 62.6332 556662.4405 15.4202 15.5868 LDB: ============= START OF LOAD BALANCING ============== 7479.3 LDB: ============== END OF LOAD BALANCING =============== 7479.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7479.3 LDB: ============= START OF LOAD BALANCING ============== 7479.59 LDB: Largest compute 4821 load 0.031025 is 26.3% of average load 0.117834 LDB: Average compute 0.001724 is 1.5% of average load 0.117834 LDB: TIME 7479.59 LOAD: AVG 0.117834 MAX 0.178942 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 7479.59 LOAD: AVG 0.117834 MAX 0.178942 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: TIME 7479.59 LOAD: AVG 0.117834 MAX 0.178942 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7479.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7479.6 PRESSURE: 2576400 156.167 -18.5721 -192.171 -18.571 364.434 29.4709 -192.171 29.4713 212.022 GPRESSURE: 2576400 231.852 -6.3849 -155.074 6.58865 367.574 103.921 -197.781 -81.2714 233.334 PRESSAVG: 2576400 4.37216 -11.6413 -37.8418 -11.6411 33.6114 -4.16066 -37.8417 -4.16059 -14.6886 GPRESSAVG: 2576400 3.79794 -11.3468 -36.8277 -10.7972 33.9243 -3.66064 -38.9883 -5.26275 -14.276 TIMING: 2576400 CPU: 7476.42, 0.00295279/step Wall: 7476.42, 0.00295279/step, 1.98788 hours remaining, 206.566406 MB of memory in use. ENERGY: 2576400 729.9020 2122.4885 1970.8362 109.6205 -206334.6395 18195.1066 0.0000 0.0000 34004.6200 -149202.0657 296.9708 -183206.6857 -149107.8993 299.5138 244.2076 277.5865 556952.3100 7.7650 7.8154 PRESSURE: 2576600 -108.777 -27.1517 48.267 -27.1511 -36.9514 -190.386 48.2677 -190.387 134.901 GPRESSURE: 2576600 -61.317 11.3131 1.79304 10.4609 -6.67402 -175.202 135.758 -163.447 164.473 PRESSAVG: 2576600 -21.9492 -24.793 -16.8204 -24.7929 64.2622 -49.3229 -16.8204 -49.3229 -5.52598 GPRESSAVG: 2576600 -21.9296 -22.8145 -19.3006 -27.3005 63.0634 -48.9663 -16.4933 -48.1178 -3.73201 TIMING: 2576600 CPU: 7477, 0.00289335/step Wall: 7477, 0.00289335/step, 1.94771 hours remaining, 206.566406 MB of memory in use. ENERGY: 2576600 770.8404 2097.3743 1950.0491 106.4915 -206229.5292 17949.2714 0.0000 0.0000 34205.7629 -149149.7396 298.7274 -183355.5025 -149048.7999 299.4325 -3.6091 32.1606 558167.6843 12.2623 12.4673 PRESSURE: 2576800 -72.4861 23.8945 -226.292 23.8938 30.4658 70.0155 -226.292 70.0166 -13.5463 GPRESSURE: 2576800 -3.79598 -14.8083 -217.552 109.447 25.9719 -39.8249 -194.041 135.44 9.97279 PRESSAVG: 2576800 14.9167 28.6106 14.6797 28.6106 -1.32301 -50.0528 14.6797 -50.0529 34.8007 GPRESSAVG: 2576800 15.8767 26.0774 19.0978 29.8278 -1.18498 -52.5912 13.0279 -49.5623 33.8479 TIMING: 2576800 CPU: 7477.58, 0.0029109/step Wall: 7477.58, 0.0029109/step, 1.95936 hours remaining, 206.566406 MB of memory in use. ENERGY: 2576800 757.4962 2069.5685 1956.8754 111.5383 -206223.1732 17975.7958 0.0000 0.0000 34302.8122 -149049.0869 299.5750 -183351.8991 -148956.4824 299.4762 -18.5222 10.7162 558285.8143 16.1315 16.1799 PRESSURE: 2577000 -22.113 -73.7679 3.10574 -73.7666 -282.267 -4.00817 3.10705 -4.00763 60.7706 GPRESSURE: 2577000 -28.9538 -109.8 45.2336 -97.2762 -160.588 13.6709 -8.52744 -23.94 62.1753 PRESSAVG: 2577000 -0.247489 -11.5088 -30.8842 -11.5089 72.3832 16.2956 -30.8841 16.2957 -82.8965 GPRESSAVG: 2577000 -1.10409 -9.86669 -35.264 -13.5252 72.5974 17.9231 -27.3633 17.3883 -82.0615 TIMING: 2577000 CPU: 7478.17, 0.00292225/step Wall: 7478.17, 0.00292225/step, 1.96684 hours remaining, 206.710938 MB of memory in use. ENERGY: 2577000 715.7713 2102.3183 1959.2454 108.7460 -206092.5080 17751.9990 0.0000 0.0000 34320.1636 -149134.2644 299.7265 -183454.4280 -149028.7005 299.5366 -81.2033 -42.4554 557642.1747 -3.5869 -3.5227 PRESSURE: 2577200 49.8478 171.923 -83.4261 171.923 -222.421 -134.637 -83.4263 -134.638 -200.802 GPRESSURE: 2577200 131.073 133.116 -123.052 88.0683 -263.068 -55.1754 -131.935 -142.427 -151.067 PRESSAVG: 2577200 34.0768 -23.7472 41.7626 -23.7472 -32.4301 8.53146 41.7626 8.53148 -45.4575 GPRESSAVG: 2577200 34.4472 -24.7245 43.8881 -23.8772 -32.8832 8.17435 39.1552 7.30602 -46.1818 TIMING: 2577200 CPU: 7478.75, 0.00289055/step Wall: 7478.75, 0.00289055/step, 1.94534 hours remaining, 206.710938 MB of memory in use. ENERGY: 2577200 760.4412 2045.3577 1956.6371 115.4956 -206249.3696 17665.5544 0.0000 0.0000 34590.9075 -149114.9761 302.0910 -183705.8836 -149018.4354 300.2963 -124.4583 -94.3539 557356.0211 -14.6036 -14.8726 PRESSURE: 2577400 -9.58298 -153.174 -19.7338 -153.173 -37.7428 139.328 -19.7329 139.327 -47.3883 GPRESSURE: 2577400 29.4791 -90.2954 -40.6484 -141.81 2.05376 212.46 -18.3765 102.607 -19.8215 PRESSAVG: 2577400 -7.58511 18.1661 -44.0497 18.1661 13.2267 -11.7995 -44.0497 -11.7996 -1.47967 GPRESSAVG: 2577400 -8.43658 20.7116 -44.4436 20.2458 13.2221 -14.2692 -41.6368 -11.7649 -1.03491 TIMING: 2577400 CPU: 7479.33, 0.002909/step Wall: 7479.33, 0.002909/step, 1.9576 hours remaining, 206.710938 MB of memory in use. ENERGY: 2577400 752.0220 2096.2672 1946.5149 108.8128 -206232.3739 17844.7007 0.0000 0.0000 34387.4909 -149096.5652 300.3145 -183484.0561 -149004.9877 299.8637 -31.5714 3.9038 555735.3558 1.3873 1.2502 PRESSURE: 2577600 198.442 -32.0812 22.8772 -32.0806 -139.24 -43.655 22.8775 -43.6557 -312.124 GPRESSURE: 2577600 228.072 -19.2688 -13.5826 34.4603 -49.0742 -80.4781 -16.1024 35.7986 -323.725 PRESSAVG: 2577600 9.16672 -9.08327 -15.3614 -9.08323 43.6481 -38.4791 -15.3614 -38.4791 -9.12466 GPRESSAVG: 2577600 9.99389 -11.0074 -14.491 -8.17033 44.51 -35.8673 -15.8441 -38.3987 -10.4042 TIMING: 2577600 CPU: 7479.91, 0.00291666/step Wall: 7479.91, 0.00291666/step, 1.96259 hours remaining, 206.710938 MB of memory in use. ENERGY: 2577600 791.1184 2110.9104 1956.8169 125.9578 -205825.8195 17529.3677 0.0000 0.0000 34271.5795 -149040.0689 299.3022 -183311.6484 -148941.0157 299.3264 -84.3073 -48.2423 554727.5298 14.5634 14.6999 PRESSURE: 2577800 192.438 63.6004 -160.022 63.6005 365.431 8.05861 -160.022 8.05751 184.894 GPRESSURE: 2577800 245.511 59.9225 -156.817 59.5316 409.286 28.4484 -165.19 -16.5148 175.309 PRESSAVG: 2577800 15.0628 -19.9041 -48.8687 -19.904 13.1658 -17.7428 -48.8688 -17.7428 -36.0487 GPRESSAVG: 2577800 14.7895 -19.0832 -49.0621 -21.0093 12.2934 -18.7623 -49.7377 -17.0263 -35.051 TIMING: 2577800 CPU: 7480.49, 0.00291503/step Wall: 7480.49, 0.00291503/step, 1.96133 hours remaining, 206.710938 MB of memory in use. ENERGY: 2577800 767.5009 2149.8460 1938.6302 110.7438 -206264.2500 18027.9965 0.0000 0.0000 34148.6590 -149120.8737 298.2287 -183269.5327 -149018.4051 299.4058 247.5879 276.7021 556351.7547 -2.6067 -2.6561 PRESSURE: 2578000 -94.6023 53.2389 -166.109 53.2394 -136.171 47.9183 -166.108 47.9182 -20.2078 GPRESSURE: 2578000 -104.64 14.7821 -110.929 101.397 -94.6107 57.4337 -207.438 38.0585 51.1815 PRESSAVG: 2578000 47.6793 -1.65043 -82.6439 -1.65042 19.7955 27.1703 -82.6438 27.1702 -72.3092 GPRESSAVG: 2578000 47.3094 -1.32717 -82.7685 -0.804545 20.6676 29.0546 -80.832 25.5392 -72.726 TIMING: 2578000 CPU: 7481.07, 0.00289745/step Wall: 7481.07, 0.00289745/step, 1.94934 hours remaining, 206.710938 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: 2578000 718.7074 2160.0252 1962.2242 126.1860 -206264.2700 17645.8875 0.0000 0.0000 34347.7088 -149303.5309 299.9671 -183651.2397 -149202.1800 298.8440 -83.6603 -49.3565 557437.3809 -1.6115 -1.5830 PRESSURE: 2578200 -34.7066 186.81 -0.776239 186.81 104.866 70.9115 -0.776983 70.9115 -11.0585 GPRESSURE: 2578200 -3.45129 137.493 -51.4796 134.558 187.81 65.6184 105.607 46.2486 -27.1631 PRESSAVG: 2578200 -8.6614 39.9482 -20.3182 39.9482 28.6648 38.0923 -20.3182 38.0922 -4.74716 GPRESSAVG: 2578200 -7.82062 38.9942 -19.7697 36.9306 27.9865 37.3324 -21.9291 37.4466 -5.04889 TIMING: 2578200 CPU: 7481.65, 0.00287185/step Wall: 7481.65, 0.00287185/step, 1.93196 hours remaining, 206.710938 MB of memory in use. ENERGY: 2578200 762.7992 2126.9004 1967.5194 125.8575 -206080.6775 17862.1990 0.0000 0.0000 33995.1917 -149240.2102 296.8885 -183235.4019 -149144.5922 299.0133 19.7003 52.3986 557373.7012 5.0854 5.0390 PRESSURE: 2578400 -48.517 70.8877 172.301 70.8886 218.961 15.6891 172.301 15.6893 365.698 GPRESSURE: 2578400 -9.67413 209.338 204.224 2.26713 219.743 45.4263 162.995 25.8279 421.143 PRESSAVG: 2578400 40.7628 9.47919 13.1361 9.47906 0.0113001 -27.1166 13.136 -27.1166 -5.52211 GPRESSAVG: 2578400 40.7254 8.22099 12.7233 13.4317 -0.0925874 -26.2513 13.0039 -26.6992 -5.94322 TIMING: 2578400 CPU: 7482.23, 0.00290338/step Wall: 7482.23, 0.00290337/step, 1.953 hours remaining, 206.710938 MB of memory in use. ENERGY: 2578400 756.2291 2102.9033 1956.8656 107.6839 -206276.2146 18197.7944 0.0000 0.0000 34041.9505 -149112.7879 297.2968 -183154.7384 -149017.5521 299.0298 178.7140 210.4041 556435.1955 11.7507 11.5632 PRESSURE: 2578600 85.8652 67.7901 -135.972 67.7905 -136.708 60.0505 -135.972 60.0507 130.46 GPRESSURE: 2578600 58.7266 39.9121 -170.771 62.4454 -80.3091 -4.64563 -169.262 88.4438 186.413 PRESSAVG: 2578600 -21.7971 14.3853 20.8002 14.3853 21.4964 27.5785 20.8003 27.5786 -15.587 GPRESSAVG: 2578600 -21.8866 13.5622 20.6355 15.168 21.5078 25.1463 18.456 27.9473 -15.1216 TIMING: 2578600 CPU: 7482.81, 0.0028974/step Wall: 7482.81, 0.0028974/step, 1.94882 hours remaining, 206.910156 MB of memory in use. ENERGY: 2578600 730.5540 2071.2558 1964.8770 121.4279 -205993.1923 17735.5370 0.0000 0.0000 34300.7450 -149068.7956 299.5569 -183369.5406 -148973.6682 299.2244 26.5389 54.9434 557060.8615 -5.2959 -5.1668 PRESSURE: 2578800 -40.3269 96.1279 -56.3504 96.1279 -171.373 -215.791 -56.3507 -215.79 -104.865 GPRESSURE: 2578800 -6.92472 32.467 63.5097 62.7029 -140.654 -234.679 -108.196 -208.139 -57.2506 PRESSAVG: 2578800 -66.2158 12.9797 41.4135 12.9797 31.553 7.80826 41.4136 7.80842 17.9064 GPRESSAVG: 2578800 -65.9047 16.2991 39.3866 10.9364 31.453 7.63214 42.2145 7.92184 17.0151 TIMING: 2578800 CPU: 7483.39, 0.00289666/step Wall: 7483.39, 0.00289666/step, 1.94816 hours remaining, 206.910156 MB of memory in use. ENERGY: 2578800 746.8342 2129.5308 1962.4005 111.2353 -206008.4544 17627.5719 0.0000 0.0000 34435.6995 -148995.1823 300.7355 -183430.8817 -148904.1432 300.5773 -105.5215 -68.2766 556245.8153 -5.5855 -5.8122 PRESSURE: 2579000 -198.567 -30.175 -92.6613 -30.1748 -283.907 33.6274 -92.6619 33.6259 51.1056 GPRESSURE: 2579000 -131.641 -98.6394 -132.814 -8.90004 -250.725 19.8674 -47.0426 113.026 44.4737 PRESSAVG: 2579000 53.692 56.354 41.4399 56.3539 -26.6825 -31.0567 41.4398 -31.0568 16.3518 GPRESSAVG: 2579000 52.4868 54.0633 40.6465 57.3444 -26.6592 -30.4035 44.8989 -32.0911 16.8532 TIMING: 2579000 CPU: 7483.96, 0.00287853/step Wall: 7483.96, 0.00287853/step, 1.93581 hours remaining, 206.910156 MB of memory in use. ENERGY: 2579000 723.5715 2132.6522 1955.3244 125.4075 -205459.4303 17445.4785 0.0000 0.0000 34129.1296 -148947.8665 298.0582 -183076.9961 -148854.5591 300.4067 -143.7895 -112.6308 558110.9149 14.4537 14.2269 PRESSURE: 2579200 97.4219 4.79663 11.3925 4.79793 149.619 -222.965 11.3925 -222.965 162.806 GPRESSURE: 2579200 152.468 67.4205 -42.6899 -45.2022 186.621 -249.528 63.438 -133.212 174.875 PRESSAVG: 2579200 -33.6792 2.44078 76.7962 2.44084 34.7261 -44.4471 76.7961 -44.4471 12.4089 GPRESSAVG: 2579200 -33.3389 2.06082 78.3561 2.20416 34.9868 -43.9741 75.3797 -44.8508 11.7971 TIMING: 2579200 CPU: 7484.54, 0.00289456/step Wall: 7484.54, 0.00289456/step, 1.94643 hours remaining, 206.910156 MB of memory in use. ENERGY: 2579200 754.6844 2074.9748 1965.0596 106.7697 -206244.1882 18015.0418 0.0000 0.0000 34236.5676 -149091.0903 298.9965 -183327.6579 -148999.3171 299.6648 136.6156 171.3211 557260.2003 4.4853 4.4817 PRESSURE: 2579400 -210.624 -18.4737 28.2785 -18.4745 212.114 62.8577 28.2786 62.8576 -32.7797 GPRESSURE: 2579400 -172.885 -28.9742 41.2683 26.5327 259.243 60.2113 48.0853 52.2983 -13.7242 PRESSAVG: 2579400 -29.4953 8.69032 -18.4962 8.69028 -0.700195 1.82947 -18.4962 1.82944 32.3574 GPRESSAVG: 2579400 -29.3779 9.30335 -18.1005 7.94942 -0.663366 1.77257 -18.9129 1.93033 32.1699 TIMING: 2579400 CPU: 7485.12, 0.00290951/step Wall: 7485.12, 0.00290951/step, 1.95632 hours remaining, 206.910156 MB of memory in use. ENERGY: 2579400 755.9574 2054.1771 1947.6353 106.5260 -206173.1050 17928.4060 0.0000 0.0000 34321.1199 -149059.2833 299.7349 -183380.4032 -148969.1258 298.7858 -10.4298 24.2112 558133.0700 0.7206 0.7095 PRESSURE: 2579600 209.993 117.104 26.4099 117.103 138.722 -149.267 26.4095 -149.268 263.626 GPRESSURE: 2579600 252.693 34.8654 21.5985 134.757 138.01 -191.286 88.6999 -163.059 308.541 PRESSAVG: 2579600 -20.0816 50.4086 -27.1084 50.4087 -20.2719 -4.0476 -27.1083 -4.04754 18.2084 GPRESSAVG: 2579600 -20.1054 50.2855 -28.6737 50.3445 -20.1345 -3.2557 -26.0399 -2.98835 18.5056 TIMING: 2579600 CPU: 7485.7, 0.00289634/step Wall: 7485.7, 0.00289634/step, 1.94731 hours remaining, 206.910156 MB of memory in use. ENERGY: 2579600 764.2370 2057.5206 1948.4804 116.5133 -206516.0696 18104.2246 0.0000 0.0000 34394.6998 -149130.3939 300.3775 -183525.0936 -149043.9068 299.9957 204.1140 233.0812 556915.4709 -7.3817 -7.2448 PRESSURE: 2579800 324.355 102.675 -54.4087 102.675 -53.0011 9.72368 -54.4084 9.72361 26.7518 GPRESSURE: 2579800 309.763 66.7478 -8.36099 103.881 2.70248 7.52408 -123.013 58.7464 84.0533 PRESSAVG: 2579800 92.7045 77.8993 16.158 77.8993 -128.047 -4.79764 16.1579 -4.79775 17.1496 GPRESSAVG: 2579800 93.5112 77.5395 20.1931 77.9658 -127.939 -4.97761 15.3388 -6.13127 16.6314 TIMING: 2579800 CPU: 7486.28, 0.00290495/step Wall: 7486.28, 0.00290495/step, 1.95293 hours remaining, 206.910156 MB of memory in use. ENERGY: 2579800 769.2011 2105.1461 1960.3349 119.6503 -206562.7689 18004.6207 0.0000 0.0000 34167.8068 -149436.0091 298.3960 -183603.8159 -149335.1983 298.9813 99.3685 132.1729 555167.5674 -6.0642 -5.9320 PRESSURE: 2580000 117.019 -10.0235 251.392 -10.023 -251.62 -5.33595 251.391 -5.33626 -270.506 GPRESSURE: 2580000 119.008 -43.0156 125.753 -73.5717 -254.742 -0.0594698 201.761 -38.0364 -174.76 PRESSAVG: 2580000 65.871 45.5941 14.2834 45.5941 0.652432 -50.8667 14.2834 -50.8667 -21.5463 GPRESSAVG: 2580000 65.4743 47.3714 10.6347 45.4641 1.09939 -51.8911 14.7517 -50.5142 -21.0019 TIMING: 2580000 CPU: 7486.86, 0.00288881/step Wall: 7486.86, 0.00288881/step, 1.94192 hours remaining, 206.910156 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: 2580000 736.2416 2075.1857 1964.4412 112.7491 -206276.7594 17731.2203 0.0000 0.0000 34431.2342 -149225.6873 300.6965 -183656.9214 -149131.4556 299.5888 -135.0353 -103.4981 557863.3798 14.9924 15.1906 PRESSURE: 2580200 195.253 -84.2438 -18.5726 -84.2446 5.53575 -85.4106 -18.571 -85.4099 280.714 GPRESSURE: 2580200 237.376 -98.8822 6.25595 -52.8696 14.6635 -84.137 48.7861 -79.6804 327.493 PRESSAVG: 2580200 57.857 5.14424 -0.149981 5.14429 -36.4275 -45.9583 -0.150016 -45.9584 -24.7176 GPRESSAVG: 2580200 57.5667 3.8206 -0.172701 5.53721 -36.6354 -44.4878 -0.615631 -47.9402 -24.5011 TIMING: 2580200 CPU: 7487.44, 0.00290437/step Wall: 7487.44, 0.00290437/step, 1.95222 hours remaining, 206.910156 MB of memory in use. ENERGY: 2580200 710.8324 2122.4660 1967.3256 108.2976 -206632.5215 18107.6963 0.0000 0.0000 34252.4922 -149363.4114 299.1355 -183615.9037 -149267.3335 298.8909 160.5009 193.1778 556654.5102 -1.0960 -1.1900 LDB: ============= START OF LOAD BALANCING ============== 7490.91 LDB: ============== END OF LOAD BALANCING =============== 7490.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7490.91 LDB: ============= START OF LOAD BALANCING ============== 7491.2 LDB: Largest compute 4821 load 0.029580 is 25.1% of average load 0.117724 LDB: Average compute 0.001722 is 1.5% of average load 0.117724 LDB: TIME 7491.21 LOAD: AVG 0.117724 MAX 0.174384 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.566 MB LDB: TIME 7491.21 LOAD: AVG 0.117724 MAX 0.174384 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: TIME 7491.21 LOAD: AVG 0.117724 MAX 0.174384 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7491.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7491.21 PRESSURE: 2580400 174.288 -104.603 -212.046 -104.604 198.694 124.11 -212.046 124.109 81.3249 GPRESSURE: 2580400 193.511 -52.4838 -268.712 -136.243 227.28 178.807 -178.528 70.23 125.078 PRESSAVG: 2580400 -17.5976 17.0732 35.5298 17.0731 33.6576 15.967 35.5297 15.9669 -23.1677 GPRESSAVG: 2580400 -17.675 17.8818 37.5094 17.5134 34.2753 15.8836 34.5004 18.9568 -23.7907 TIMING: 2580400 CPU: 7488.04, 0.00296791/step Wall: 7488.04, 0.00296791/step, 1.99477 hours remaining, 207.031250 MB of memory in use. ENERGY: 2580400 775.3131 2126.4850 1949.2628 118.0252 -206580.8055 18279.8936 0.0000 0.0000 34145.7945 -149186.0313 298.2037 -183331.8258 -149085.1473 299.1014 151.4357 181.9563 558226.2147 -2.3692 -2.3968 PRESSURE: 2580600 -388.832 28.6966 80.4779 28.6964 -188.395 -129.086 80.4792 -129.085 -155.002 GPRESSURE: 2580600 -354.771 131.319 135.664 -48.1904 -152.499 -220.749 -81.6538 -71.5019 -134.581 PRESSAVG: 2580600 -1.02649 33.4559 -26.0474 33.4559 -6.97776 10.5494 -26.0473 10.5493 40.5213 GPRESSAVG: 2580600 -0.140281 31.6992 -26.7762 32.437 -7.95928 7.954 -26.9609 11.8947 40.3373 TIMING: 2580600 CPU: 7488.62, 0.0029086/step Wall: 7488.62, 0.0029086/step, 1.95474 hours remaining, 207.359375 MB of memory in use. ENERGY: 2580600 765.1481 2105.0084 1963.9734 124.0309 -206005.5425 17517.0884 0.0000 0.0000 34347.3940 -149182.8992 299.9643 -183530.2932 -149080.2362 299.7195 -244.0764 -213.9502 557966.0161 10.8390 10.7459 PRESSURE: 2580800 -72.6394 63.9855 -78.9776 63.984 -62.9263 -24.8795 -78.9772 -24.882 -237.354 GPRESSURE: 2580800 -78.2268 29.9341 -149.129 119.187 -17.7288 -66.8393 -38.2265 33.453 -192.871 PRESSAVG: 2580800 18.2381 29.6413 -26.7296 29.6413 -71.2745 -29.9138 -26.7296 -29.9138 68.3134 GPRESSAVG: 2580800 16.7943 30.6878 -27.6936 30.5001 -70.7188 -29.0384 -26.7289 -31.3055 69.4404 TIMING: 2580800 CPU: 7489.2, 0.0029003/step Wall: 7489.2, 0.0029003/step, 1.949 hours remaining, 207.359375 MB of memory in use. ENERGY: 2580800 735.8136 2130.1898 1974.6802 125.7283 -205918.8730 17572.9768 0.0000 0.0000 34129.0348 -149250.4495 298.0573 -183379.4843 -149150.2314 299.2859 -124.3065 -96.2754 556992.7999 5.0923 5.1720 PRESSURE: 2581000 122.633 80.38 47.2299 80.3786 -9.2755 81.7323 47.2308 81.732 7.6913 GPRESSURE: 2581000 173.035 90.9405 -20.7797 36.2024 -9.44418 58.3973 124.379 73.756 63.5508 PRESSAVG: 2581000 53.0125 58.6365 -5.51165 58.6365 -21.6567 -40.0555 -5.51158 -40.0554 -9.1091 GPRESSAVG: 2581000 53.9618 59.3384 -3.89487 57.1034 -22.7126 -37.4522 -3.75197 -42 -8.52441 TIMING: 2581000 CPU: 7489.78, 0.0029018/step Wall: 7489.78, 0.0029018/step, 1.94985 hours remaining, 207.359375 MB of memory in use. ENERGY: 2581000 740.9078 2040.3986 1952.8191 120.1096 -206366.6795 17822.4441 0.0000 0.0000 34500.3287 -149189.6715 301.3000 -183690.0002 -149093.2221 299.6493 40.3497 75.7140 555811.2762 7.4156 7.5749 PRESSURE: 2581200 121.726 -30.4679 162.3 -30.47 58.3694 34.7207 162.3 34.7216 -81.9704 GPRESSURE: 2581200 178.682 -12.1365 178.363 -0.119709 73.2755 -14.5477 225.832 68.452 -56.0191 PRESSAVG: 2581200 1.66163 38.5455 60.2555 38.5454 -50.9855 -26.5575 60.2555 -26.5575 17.2894 GPRESSAVG: 2581200 1.82548 36.5138 58.9955 38.6958 -50.5068 -28.432 60.0898 -24.7371 16.8915 TIMING: 2581200 CPU: 7490.36, 0.00290055/step Wall: 7490.36, 0.00290055/step, 1.94885 hours remaining, 207.359375 MB of memory in use. ENERGY: 2581200 710.3644 2175.9495 1939.2074 105.6370 -206073.9976 17730.3784 0.0000 0.0000 34204.4502 -149208.0109 298.7160 -183412.4610 -149111.6383 299.1185 32.7085 65.3128 558311.7091 -10.6782 -10.5966 PRESSURE: 2581400 -205.586 172.685 -116.72 172.685 -6.43855 110.162 -116.72 110.162 -175.96 GPRESSURE: 2581400 -135.671 121.502 -172.242 99.9692 46.1344 125.731 -77.5012 100.798 -209.646 PRESSAVG: 2581400 33.3993 12.6551 -2.12052 12.655 -3.5202 6.93081 -2.1205 6.931 12.7253 GPRESSAVG: 2581400 33.22 14.8302 -2.06398 12.5279 -4.1448 7.18438 -2.58262 6.26774 12.7385 TIMING: 2581400 CPU: 7490.94, 0.00291938/step Wall: 7490.94, 0.00291938/step, 1.96134 hours remaining, 207.359375 MB of memory in use. ENERGY: 2581400 735.2017 2088.5809 1960.8882 111.2204 -206304.2564 17682.4285 0.0000 0.0000 34468.9484 -149256.9882 301.0259 -183725.9367 -149157.2686 298.9498 -129.3281 -99.7275 557423.6466 14.2014 13.9379 PRESSURE: 2581600 -184.818 -59.3854 -54.3954 -59.3848 -4.54981 37.9366 -54.3962 37.937 23.0839 GPRESSURE: 2581600 -123.204 -127.735 -48.8696 39.1295 -68.2354 106.628 -70.221 93.9792 119.591 PRESSAVG: 2581600 -23.5606 -19.1192 -21.1491 -19.1192 49.1712 15.5693 -21.149 15.5694 -0.633238 GPRESSAVG: 2581600 -24.9841 -22.6467 -22.1551 -15.7935 49.3607 17.1941 -20.1471 16.0144 0.423525 TIMING: 2581600 CPU: 7491.53, 0.00292176/step Wall: 7491.53, 0.00292176/step, 1.96277 hours remaining, 207.359375 MB of memory in use. ENERGY: 2581600 720.2028 2101.1068 1965.7547 112.5284 -206408.1962 17889.9527 0.0000 0.0000 34275.2055 -149343.4453 299.3339 -183618.6508 -149246.3314 299.4476 -55.4279 -23.9494 558492.7049 8.3258 8.2667 PRESSURE: 2581800 75.4308 58.4127 -26.2542 58.4118 -165.599 26.4474 -26.254 26.4486 -336.728 GPRESSURE: 2581800 101.768 106.813 -64.5664 78.3573 -142.219 -29.8396 -21.8165 52.2871 -289.624 PRESSAVG: 2581800 14.8171 57.8512 48.1173 57.8512 22.1429 -18.333 48.1174 -18.3328 -7.88137 GPRESSAVG: 2581800 16.5781 58.3456 47.6337 55.857 22.5648 -19.0659 46.4798 -16.5903 -9.8751 TIMING: 2581800 CPU: 7492.11, 0.00289772/step Wall: 7492.11, 0.00289772/step, 1.94646 hours remaining, 207.359375 MB of memory in use. ENERGY: 2581800 756.6960 2136.0682 1965.5754 126.0151 -206295.9875 17688.5203 0.0000 0.0000 34305.2628 -149317.8495 299.5964 -183623.1123 -149214.3792 299.6485 -142.2986 -110.0251 558656.3976 9.6929 9.7560 PRESSURE: 2582000 95.2753 159.287 -66.772 159.286 217.556 -126.188 -66.7714 -126.188 -0.568571 GPRESSURE: 2582000 71.7523 109.882 -37.4711 149.217 257.201 -155.436 -74.8543 -47.7553 61.9037 PRESSAVG: 2582000 15.2862 25.7659 -24.0136 25.7659 52.2723 -18.3772 -24.0135 -18.3773 -74.3534 GPRESSAVG: 2582000 14.5903 26.0158 -21.6629 25.7105 52.5565 -18.3483 -23.1165 -20.5695 -74.7183 TIMING: 2582000 CPU: 7492.68, 0.00288719/step Wall: 7492.68, 0.00288719/step, 1.93923 hours remaining, 207.359375 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: 2582000 739.3180 2139.2758 1967.6048 121.5150 -206442.7346 17971.1921 0.0000 0.0000 34296.6726 -149207.1563 299.5214 -183503.8289 -149109.3272 298.7978 104.0875 130.2857 557166.5396 -2.2650 -2.5239 PRESSURE: 2582200 -40.5187 17.7257 38.5142 17.726 -185.901 -17.666 38.5133 -17.6665 -147.684 GPRESSURE: 2582200 -4.08011 33.5495 -61.253 -50.9131 -189.343 -72.2318 -9.15896 -18.4062 -99.4766 PRESSAVG: 2582200 -8.34716 8.80574 -15.592 8.80577 51.6842 -18.3309 -15.592 -18.3309 -38.8363 GPRESSAVG: 2582200 -8.04553 10.6614 -17.7738 8.49021 51.4485 -20.1187 -15.228 -17.7525 -38.8248 TIMING: 2582200 CPU: 7493.26, 0.00287902/step Wall: 7493.26, 0.00287902/step, 1.93358 hours remaining, 207.359375 MB of memory in use. ENERGY: 2582200 741.1786 2097.0474 1985.3133 108.9176 -205838.1031 17531.4631 0.0000 0.0000 33947.1779 -149427.0051 296.4691 -183374.1830 -149327.4006 298.4502 -124.7012 -97.6332 558069.6118 1.5002 1.5261 PRESSURE: 2582400 -19.8426 14.8107 -162.217 14.8101 -154.655 -89.2263 -162.217 -89.2251 63.2938 GPRESSURE: 2582400 1.42352 -82.1539 -229.002 -15.8986 -99.6746 -28.8746 -95.3477 -118.058 90.1244 PRESSAVG: 2582400 -18.7012 -0.729757 2.36958 -0.729725 -12.0602 -26.3298 2.36949 -26.3297 -16.7632 GPRESSAVG: 2582400 -18.6988 -1.49925 2.39443 0.79618 -12.8119 -24.1242 3.69604 -26.5661 -15.877 TIMING: 2582400 CPU: 7493.84, 0.00289642/step Wall: 7493.84, 0.00289642/step, 1.94511 hours remaining, 207.359375 MB of memory in use. ENERGY: 2582400 765.4636 2017.2646 1974.1262 97.4235 -206354.4293 17891.3931 0.0000 0.0000 34322.9677 -149285.7906 299.7510 -183608.7582 -149189.9138 299.3073 -37.0680 -2.7089 557973.1167 -15.8415 -15.7959 PRESSURE: 2582600 -81.6676 108.103 38.9348 108.103 191.916 -53.673 38.9343 -53.6743 153.025 GPRESSURE: 2582600 -113.557 91.8988 15.1166 82.7085 257.876 -117.618 104.787 -48.1149 219.383 PRESSAVG: 2582600 9.64197 41.8136 -43.56 41.8137 44.4781 15.154 -43.56 15.1541 -3.64465 GPRESSAVG: 2582600 8.76209 43.0667 -42.2361 38.5987 45.6955 14.8527 -46.3277 15.4175 -4.68861 TIMING: 2582600 CPU: 7494.41, 0.00287403/step Wall: 7494.41, 0.00287403/step, 1.92991 hours remaining, 207.359375 MB of memory in use. ENERGY: 2582600 740.8013 2082.1070 1981.0036 115.4555 -206382.7417 17999.0278 0.0000 0.0000 34111.8385 -149352.5080 297.9072 -183464.3465 -149259.6115 298.7216 87.7581 121.2339 558293.0420 16.8251 16.5896 PRESSURE: 2582800 78.0995 -49.0614 -91.6684 -49.0622 -56.8116 59.3591 -91.6676 59.3604 -82.9654 GPRESSURE: 2582800 59.7255 -52.9007 -98.945 -74.2506 17.8976 59.6138 -31.5041 49.7979 -35.9305 PRESSAVG: 2582800 -21.6811 4.06026 -3.09754 4.06012 49.634 31.436 -3.09741 31.4359 -44.4111 GPRESSAVG: 2582800 -22.6625 3.25648 -2.82367 6.28343 48.8767 29.5291 -1.77764 31.4588 -42.913 TIMING: 2582800 CPU: 7494.99, 0.00286555/step Wall: 7494.99, 0.00286555/step, 1.92406 hours remaining, 207.359375 MB of memory in use. ENERGY: 2582800 735.7054 2106.6721 1960.9101 110.8885 -206297.3390 17897.4060 0.0000 0.0000 34272.6923 -149213.0646 299.3119 -183485.7569 -149124.9284 299.2821 -20.5592 13.8975 558048.2981 -5.4860 -5.5663 PRESSURE: 2583000 -56.8763 -43.7252 14.0209 -43.7243 158.536 -16.3175 14.0231 -16.3157 -160.234 GPRESSURE: 2583000 -34.7624 19.3997 32.3007 -40.6223 150.475 25.2542 21.5256 4.83093 -78.49 PRESSAVG: 2583000 68.0755 18.9413 -13.7068 18.9413 -9.7036 27.6108 -13.7068 27.6108 -29.4781 GPRESSAVG: 2583000 69.3118 20.6633 -13.9952 17.7015 -9.19091 29.8607 -14.5656 26.7991 -30.7551 TIMING: 2583000 CPU: 7495.56, 0.00286793/step Wall: 7495.56, 0.00286793/step, 1.9255 hours remaining, 207.359375 MB of memory in use. ENERGY: 2583000 747.3138 2076.9015 1971.3106 110.6874 -206480.7445 18012.9408 0.0000 0.0000 34366.8158 -149194.7746 300.1340 -183561.5905 -149095.5724 299.5733 -19.5248 12.4077 557791.8967 9.6313 9.7886 PRESSURE: 2583200 -129.393 40.0642 -37.5589 40.065 -279.912 88.8251 -37.5571 88.8241 -246.061 GPRESSURE: 2583200 -92.6247 -20.9489 -112.816 117.642 -222.312 29.568 63.971 131.377 -252.883 PRESSAVG: 2583200 2.78041 35.0715 -21.7868 35.0715 -47.8715 0.0787021 -21.7869 0.0786261 3.34117 GPRESSAVG: 2583200 3.38754 32.5511 -20.6108 37.4559 -48.8235 -0.0651785 -20.3361 1.28877 3.71273 TIMING: 2583200 CPU: 7496.14, 0.00289057/step Wall: 7496.14, 0.00289057/step, 1.94054 hours remaining, 207.359375 MB of memory in use. ENERGY: 2583200 728.1015 2091.2593 1960.6000 121.9388 -205900.8252 17408.6086 0.0000 0.0000 34529.5781 -149060.7390 301.5554 -183590.3171 -148967.0387 299.1615 -218.4556 -189.2731 558908.8542 -13.9166 -13.9077 PRESSURE: 2583400 165.253 -17.8006 32.0966 -17.802 313.685 77.8149 32.0953 77.8147 44.751 GPRESSURE: 2583400 250.873 57.0588 -2.50657 -34.5647 276.261 13.136 22.2357 55.3336 98.8447 PRESSAVG: 2583400 -13.7449 4.74838 4.61763 4.74835 10.0011 26.1797 4.6176 26.1797 1.5863 GPRESSAVG: 2583400 -12.7481 5.74225 3.60166 2.34973 10.1215 26.3551 4.36424 24.8034 0.62909 TIMING: 2583400 CPU: 7496.72, 0.00289833/step Wall: 7496.72, 0.00289833/step, 1.94559 hours remaining, 207.359375 MB of memory in use. ENERGY: 2583400 706.0421 2073.6773 1973.9308 100.5278 -206356.5865 18153.6600 0.0000 0.0000 34167.4637 -149181.2849 298.3930 -183348.7486 -149093.0637 299.4660 174.5632 208.6593 558330.1697 -0.7192 -0.6658 PRESSURE: 2583600 -393.37 87.6649 -68.3124 87.6649 -346.672 31.283 -68.3116 31.2824 -123.09 GPRESSURE: 2583600 -330.93 16.2547 -80.1343 141.387 -248.175 21.5773 -50.6537 85.2256 -180.946 PRESSAVG: 2583600 11.5325 19.126 -0.103916 19.126 -4.21974 3.28649 -0.103946 3.28641 -36.4259 GPRESSAVG: 2583600 10.3496 18.6587 -0.428673 20.0246 -4.31252 5.21053 1.59658 2.03451 -35.5607 TIMING: 2583600 CPU: 7497.3, 0.00288719/step Wall: 7497.3, 0.00288719/step, 1.93794 hours remaining, 207.359375 MB of memory in use. ENERGY: 2583600 746.0219 2035.7362 1965.5424 109.5908 -205598.7306 17299.3482 0.0000 0.0000 34283.2290 -149159.2620 299.4040 -183442.4910 -149074.7732 299.4554 -287.7104 -253.3508 558668.8363 -9.7044 -9.8412 PRESSURE: 2583800 -188.824 58.2107 127.664 58.2091 -330.233 143.699 127.663 143.699 24.5747 GPRESSURE: 2583800 -170.797 -8.28204 123.789 92.407 -332.261 165.675 32.2271 134.359 106.983 PRESSAVG: 2583800 18.2248 44.6937 0.0450237 44.6936 2.59059 4.96218 0.0449504 4.96226 -46.1554 GPRESSAVG: 2583800 17.8301 44.8151 1.07785 44.629 3.76023 3.29957 -2.2642 6.20272 -46.9928 TIMING: 2583800 CPU: 7497.88, 0.00290301/step Wall: 7497.88, 0.00290301/step, 1.9484 hours remaining, 207.359375 MB of memory in use. ENERGY: 2583800 704.3944 2066.6107 1967.9222 123.9543 -205690.9468 17502.9366 0.0000 0.0000 34224.5317 -149100.5968 298.8913 -183325.1285 -148997.0136 299.7843 -164.8274 -132.0251 559533.7756 -8.4467 -8.4675 PRESSURE: 2584000 -36.1719 -90.869 -49.6979 -90.868 -96.0882 -61.0532 -49.6975 -61.0522 -147.759 GPRESSURE: 2584000 -45.3318 -129.148 -16.5942 -35.7046 -78.6008 -26.2443 16.1108 -25.6447 -52.7811 PRESSAVG: 2584000 35.9775 -12.5783 -5.44119 -12.5783 1.96017 -23.9702 -5.44121 -23.9701 -21.3081 GPRESSAVG: 2584000 36.4043 -11.9622 -5.7342 -11.5616 1.80377 -23.763 -5.88978 -23.7823 -21.5365 TIMING: 2584000 CPU: 7498.46, 0.00289238/step Wall: 7498.46, 0.00289238/step, 1.94111 hours remaining, 207.359375 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: 2584000 721.2200 2139.4048 1944.8549 110.5001 -205923.8473 17774.0939 0.0000 0.0000 34150.1597 -149083.6138 298.2418 -183233.7735 -148988.2842 299.2471 -93.3396 -58.9045 560358.8563 5.5432 5.5572 PRESSURE: 2584200 -134.637 -18.1377 -13.6944 -18.1382 -88.326 -149.989 -13.6935 -149.989 35.1716 GPRESSURE: 2584200 -81.4408 18.5923 -44.7473 43.4105 -67.5537 -130.371 -2.17091 -121.514 48.5878 PRESSAVG: 2584200 -34.0347 34.8611 -2.73643 34.8611 -34.5453 -48.1152 -2.73633 -48.1153 67.0502 GPRESSAVG: 2584200 -34.3122 33.505 -2.84565 34.5674 -34.6791 -50.8915 -2.87777 -47.4932 67.5226 TIMING: 2584200 CPU: 7499.03, 0.00288579/step Wall: 7499.03, 0.00288579/step, 1.93653 hours remaining, 207.359375 MB of memory in use. ENERGY: 2584200 728.4942 2067.3812 1979.4394 116.0916 -206130.2479 17726.3317 0.0000 0.0000 34437.9232 -149074.5867 300.7549 -183512.5099 -148973.9517 298.7661 -62.5971 -33.4689 558057.1329 -0.5099 -0.4896 LDB: ============= START OF LOAD BALANCING ============== 7502.5 LDB: ============== END OF LOAD BALANCING =============== 7502.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7502.5 LDB: ============= START OF LOAD BALANCING ============== 7502.79 LDB: Largest compute 4821 load 0.031302 is 26.6% of average load 0.117661 LDB: Average compute 0.001723 is 1.5% of average load 0.117661 LDB: TIME 7502.79 LOAD: AVG 0.117661 MAX 0.178147 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7502.79 LOAD: AVG 0.117661 MAX 0.178147 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 7502.79 LOAD: AVG 0.117661 MAX 0.178147 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7502.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7502.8 PRESSURE: 2584400 215.225 111.952 61.8402 111.951 31.9805 -11.6215 61.8413 -11.6237 -160.931 GPRESSURE: 2584400 209.807 131.15 28.3242 99.3216 96.0775 16.8631 49.2484 -59.1484 -130.911 PRESSAVG: 2584400 -17.0316 26.2984 -39.2728 26.2984 9.45962 -26.0484 -39.2728 -26.0484 18.8507 GPRESSAVG: 2584400 -17.5873 28.0566 -40.6229 23.9919 10.1534 -21.0319 -37.8365 -26.7169 18.6944 TIMING: 2584400 CPU: 7499.62, 0.00295945/step Wall: 7499.62, 0.00295945/step, 1.98579 hours remaining, 207.476562 MB of memory in use. ENERGY: 2584400 726.3079 2134.7610 1960.3267 121.5674 -205992.3269 17900.9087 0.0000 0.0000 34117.1118 -149031.3435 297.9532 -183148.4553 -148933.9443 299.4785 28.7581 58.3244 559262.3899 3.7596 3.7535 PRESSURE: 2584600 -228.481 -34.5153 203.006 -34.5157 -138.761 -16.9416 203.005 -16.942 -230.825 GPRESSURE: 2584600 -206.027 -114.882 240.268 18.1322 -127.509 -37.5179 213.33 -37.0072 -174.492 PRESSAVG: 2584600 54.1051 -61.5744 4.83141 -61.5744 44.3829 -5.78564 4.83146 -5.78561 -80.6464 GPRESSAVG: 2584600 54.0444 -61.361 6.12564 -60.2028 44.4849 -8.87547 2.60111 -6.47772 -80.3243 TIMING: 2584600 CPU: 7500.21, 0.00291116/step Wall: 7500.21, 0.00291116/step, 1.95323 hours remaining, 207.617188 MB of memory in use. ENERGY: 2584600 770.3885 2130.2279 1940.5996 102.6409 -205852.8756 17484.6454 0.0000 0.0000 34463.0090 -148961.3642 300.9740 -183424.3733 -148865.9738 299.5891 -199.3557 -169.3427 558682.4527 5.9472 6.0684 PRESSURE: 2584800 -302.421 165.831 223.4 165.831 164.575 147.709 223.398 147.709 -293.428 GPRESSURE: 2584800 -291.21 137.599 257.506 207.48 157.055 198.556 192.447 133.242 -196.642 PRESSAVG: 2584800 -8.06814 -38.1102 -35.5016 -38.1102 90.4928 35.462 -35.5016 35.4618 -59.7509 GPRESSAVG: 2584800 -8.14157 -38.7352 -34.6531 -37.0386 90.9417 35.2659 -35.4461 37.9629 -59.8715 TIMING: 2584800 CPU: 7500.79, 0.00291698/step Wall: 7500.79, 0.00291698/step, 1.95697 hours remaining, 207.617188 MB of memory in use. ENERGY: 2584800 733.4166 2094.6933 1962.2077 113.5146 -205491.9930 17454.5295 0.0000 0.0000 33986.2788 -149147.3525 296.8106 -183133.6313 -149051.3622 299.4762 -143.7580 -110.2658 558213.7533 7.5579 7.6429 PRESSURE: 2585000 34.5345 63.3282 50.6333 63.3284 38.8507 -110.423 50.6326 -110.422 71.4675 GPRESSURE: 2585000 24.4717 11.4386 11.8314 169.923 114.184 -151.466 56.5093 -69.8252 101.4 PRESSAVG: 2585000 -35.6272 18.7562 37.1671 18.7561 79.2474 50.3059 37.1671 50.306 -51.1996 GPRESSAVG: 2585000 -35.5507 20.9243 35.4872 16.6764 79.5392 53.2627 38.8511 46.5678 -51.1427 TIMING: 2585000 CPU: 7501.37, 0.00289337/step Wall: 7501.37, 0.00289337/step, 1.94097 hours remaining, 207.820312 MB of memory in use. ENERGY: 2585000 742.8965 2120.9481 1965.5358 121.0580 -206104.9153 17808.1077 0.0000 0.0000 34348.9522 -148997.4170 299.9779 -183346.3692 -148904.0328 299.3055 48.2843 80.0187 556946.5705 -2.5264 -2.3847 PRESSURE: 2585200 -37.3951 -54.7079 148.474 -54.7071 -83.3447 -39.931 148.475 -39.9295 -20.9387 GPRESSURE: 2585200 -6.76983 -53.4871 141.022 -0.0311556 -38.3196 107.231 95.125 -168.107 3.37346 PRESSAVG: 2585200 5.30471 -0.198943 73.5373 -0.198979 40.1044 -8.68146 73.5374 -8.68154 -42.383 GPRESSAVG: 2585200 5.05815 -2.77622 72.8045 1.17636 39.4544 -12.7516 72.9188 -6.93466 -41.4077 TIMING: 2585200 CPU: 7501.95, 0.00288168/step Wall: 7501.95, 0.00288168/step, 1.93297 hours remaining, 207.820312 MB of memory in use. ENERGY: 2585200 746.8280 2160.8082 1985.6357 114.9651 -206024.1396 17781.0993 0.0000 0.0000 34115.7249 -149119.0784 297.9411 -183234.8033 -149019.5087 299.8646 -47.2262 -13.9053 557304.6441 1.0087 1.0349 PRESSURE: 2585400 -28.942 -2.32038 52.0496 -2.31963 -53.4334 19.9839 52.0485 19.9856 -12.085 GPRESSURE: 2585400 -6.86065 18.787 16.9213 11.3514 -26.1087 120.925 162.663 -28.3107 33.8633 PRESSAVG: 2585400 8.09389 -15.1783 9.1313 -15.1783 -32.393 8.07941 9.13129 8.07934 28.8993 GPRESSAVG: 2585400 9.10003 -14.3937 10.6905 -16.1644 -33.0118 8.60729 8.24841 7.89062 28.8238 TIMING: 2585400 CPU: 7502.52, 0.00288709/step Wall: 7502.52, 0.00288709/step, 1.93644 hours remaining, 207.820312 MB of memory in use. ENERGY: 2585400 732.1068 2108.3092 1987.1852 121.8465 -206174.3957 17768.6590 0.0000 0.0000 34328.7679 -149127.5210 299.8017 -183456.2889 -149024.9682 298.9722 -31.4868 0.2980 557823.7316 1.5334 1.6374 PRESSURE: 2585600 23.209 27.2535 82.0415 27.2544 -105.392 64.5488 82.0436 64.5474 4.60787 GPRESSURE: 2585600 57.3676 -2.54522 31.3729 37.4618 -95.407 36.9172 49.8116 172.635 65.569 PRESSAVG: 2585600 32.9845 -30.9998 11.7793 -30.9999 -23.377 76.8046 11.7794 76.8045 8.93025 GPRESSAVG: 2585600 33.607 -31.2016 10.6825 -32.0184 -25.0526 77.8377 11.6942 77.8467 10.3648 TIMING: 2585600 CPU: 7503.1, 0.00289457/step Wall: 7503.1, 0.00289457/step, 1.94129 hours remaining, 207.820312 MB of memory in use. ENERGY: 2585600 717.7058 2099.1200 1959.3306 108.0661 -206000.3805 17710.9397 0.0000 0.0000 34140.6194 -149264.5990 298.1585 -183405.2184 -149169.5755 299.2422 -25.8582 9.1765 556743.2233 6.1792 6.3064 PRESSURE: 2585800 -82.8615 64.8489 -48.8225 64.8491 -241.111 44.8415 -48.8228 44.8427 -64.9305 GPRESSURE: 2585800 -22.3983 93.2551 -56.4069 46.2229 -237.493 60.8624 -78.7508 -50.4244 -32.2846 PRESSAVG: 2585800 53.5734 -8.90605 -47.7396 -8.906 -7.2289 76.2091 -47.7396 76.2092 -51.3696 GPRESSAVG: 2585800 52.9008 -9.55018 -47.4009 -6.831 -5.84428 74.8435 -46.3808 75.844 -51.899 TIMING: 2585800 CPU: 7503.68, 0.00291241/step Wall: 7503.68, 0.00291241/step, 1.95309 hours remaining, 207.820312 MB of memory in use. ENERGY: 2585800 742.6429 2119.9087 1961.7794 113.0556 -206213.3709 17880.2747 0.0000 0.0000 34128.3968 -149267.3128 298.0518 -183395.7095 -149176.0604 298.5253 -129.6345 -97.3921 560440.2599 -1.6750 -1.6142 PRESSURE: 2586000 -217.779 35.5044 45.2859 35.5043 -349.431 -219.047 45.287 -219.047 -99.483 GPRESSURE: 2586000 -159.03 -13.2149 60.2617 91.9184 -317.485 -186.021 -57.5806 -221.354 -87.514 PRESSAVG: 2586000 -60.8049 32.3662 -67.417 32.3662 18.4604 27.9661 -67.417 27.9659 32.8313 GPRESSAVG: 2586000 -62.2042 32.5867 -67.8692 32.2476 19.8976 29.5292 -69.6502 28.7602 32.64 TIMING: 2586000 CPU: 7504.27, 0.0029124/step Wall: 7504.27, 0.0029124/step, 1.95293 hours remaining, 207.820312 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: 2586000 709.5801 2078.7338 1949.7084 139.3018 -205782.2498 17540.5736 0.0000 0.0000 34102.6029 -149261.7491 297.8265 -183364.3520 -149166.0518 298.5552 -222.2311 -188.0097 560706.7892 -3.1711 -3.2222 PRESSURE: 2586200 -380.619 -85.8259 -26.8847 -85.8251 13.5098 -49.1422 -26.8852 -49.1419 -68.7061 GPRESSURE: 2586200 -336.551 -134.627 23.3047 52.3621 46.3704 -87.3368 -101.551 -24.0581 -52.157 PRESSAVG: 2586200 -37.9492 11.6684 -59.2273 11.6684 -13.6637 6.4779 -59.2273 6.47784 69.2574 GPRESSAVG: 2586200 -36.1607 11.2581 -55.99 10.9813 -14.073 7.73661 -60.1351 5.98011 68.1415 TIMING: 2586200 CPU: 7504.85, 0.00293559/step Wall: 7504.85, 0.00293559/step, 1.96831 hours remaining, 207.820312 MB of memory in use. ENERGY: 2586200 767.8680 2080.4578 1999.0186 115.8237 -206148.1487 17687.6482 0.0000 0.0000 34168.9204 -149328.4119 298.4057 -183497.3323 -149234.5162 297.9055 -145.2719 -114.1126 559813.1737 5.8815 5.9693 PRESSURE: 2586400 -12.3222 93.8312 -62.3699 93.8313 -114.921 86.6372 -62.3716 86.637 100.135 GPRESSURE: 2586400 6.35516 72.8038 -69.9839 16.1857 -73.5781 118.138 -96.0084 72.2072 130.739 PRESSAVG: 2586400 -44.5037 20.211 -8.62433 20.2109 40.4744 -0.58184 -8.62431 -0.581725 29.054 GPRESSAVG: 2586400 -45.1016 19.3089 -9.55011 22.1356 40.6229 -0.474396 -5.5657 -2.14077 29.9628 TIMING: 2586400 CPU: 7505.44, 0.00291907/step Wall: 7505.44, 0.00291907/step, 1.95707 hours remaining, 207.820312 MB of memory in use. ENERGY: 2586400 734.2466 2106.3931 1981.6260 124.9820 -206035.5674 17803.3607 0.0000 0.0000 34036.7832 -149248.1758 297.2517 -183284.9590 -149151.8770 298.5256 -9.0360 21.1721 559125.2405 8.3416 8.4947 PRESSURE: 2586600 -83.889 -24.5783 82.9868 -24.5786 106.592 -99.1104 82.9869 -99.1098 -143.647 GPRESSURE: 2586600 -12.6075 -1.79354 197.807 -46.378 43.4452 -66.9483 -6.07208 -109.511 -59.6339 PRESSAVG: 2586600 -10.1936 6.46478 6.96658 6.46466 13.2231 2.21068 6.96646 2.21058 -8.45152 GPRESSAVG: 2586600 -9.57266 6.73669 4.43341 4.00286 12.2094 1.78265 7.26314 3.80391 -8.31901 TIMING: 2586600 CPU: 7506.02, 0.0029008/step Wall: 7506.02, 0.0029008/step, 1.94466 hours remaining, 207.820312 MB of memory in use. ENERGY: 2586600 741.9853 2120.5460 1987.9342 117.8598 -206550.4196 18017.9816 0.0000 0.0000 34412.8702 -149151.2425 300.5362 -183564.1127 -149054.4738 298.7574 -40.3145 -9.5987 559010.9983 -1.8073 -1.8941 PRESSURE: 2586800 -78.0986 -12.9057 -6.05066 -12.9059 -62.2143 -175.982 -6.05003 -175.98 17.9684 GPRESSURE: 2586800 -24.9969 -55.313 20.1896 9.33731 -57.0477 -140.745 27.209 -154.727 59.6823 PRESSAVG: 2586800 -1.54998 -16.2055 29.12 -16.2055 40.4823 -1.50549 29.12 -1.50551 -44.0806 GPRESSAVG: 2586800 -1.85506 -15.3302 29.6815 -15.488 41.0562 -1.83037 31.0645 -1.00723 -44.1841 TIMING: 2586800 CPU: 7506.6, 0.00291317/step Wall: 7506.6, 0.00291317/step, 1.95279 hours remaining, 207.820312 MB of memory in use. ENERGY: 2586800 736.2106 2110.2446 1955.7414 111.6581 -205958.3056 17635.0638 0.0000 0.0000 34263.4106 -149145.9766 299.2309 -183409.3872 -149046.7392 299.5055 -40.7815 -7.4541 557847.5336 -1.7161 -1.6610 PRESSURE: 2587000 89.0494 -97.5283 44.489 -97.5284 130.388 131.675 44.4886 131.676 -70.3054 GPRESSURE: 2587000 117.291 -102.765 14.39 -119.665 191.29 181.235 -18.937 10.4712 -69.3054 PRESSAVG: 2587000 43.5354 12.4586 42.7479 12.4587 -38.8611 -8.47484 42.7479 -8.47478 -39.8773 GPRESSAVG: 2587000 43.5179 13.0444 43.3375 13.0892 -38.4179 -8.64931 41.6255 -7.38148 -40.3626 TIMING: 2587000 CPU: 7507.18, 0.00291348/step Wall: 7507.18, 0.00291348/step, 1.95284 hours remaining, 207.820312 MB of memory in use. ENERGY: 2587000 713.2206 2104.8561 1969.3593 108.4174 -206434.5641 17956.6414 0.0000 0.0000 34349.3660 -149232.7033 299.9816 -183582.0692 -149132.4433 298.7414 49.7107 79.7585 557798.4170 -11.7343 -11.7542 PRESSURE: 2587200 -24.7287 -27.6644 -34.4154 -27.6647 -73.3948 14.3166 -34.4142 14.3182 -197.516 GPRESSURE: 2587200 35.9649 -80.4711 -42.4042 -108.864 -40.8592 8.16847 -9.57718 -42.7654 -185.166 PRESSAVG: 2587200 41.5563 25.3078 -20.566 25.3078 4.54591 75.4146 -20.566 75.4146 -27.8453 GPRESSAVG: 2587200 41.3908 23.006 -21.6148 25.598 4.46485 77.2383 -22.1924 73.558 -27.4823 TIMING: 2587200 CPU: 7507.77, 0.00291721/step Wall: 7507.77, 0.00291721/step, 1.95518 hours remaining, 207.820312 MB of memory in use. ENERGY: 2587200 705.2241 2074.9231 1950.1366 121.1695 -205915.1083 17425.6190 0.0000 0.0000 34388.6609 -149249.3750 300.3247 -183638.0360 -149155.0776 299.2212 -98.5466 -63.3535 556346.1561 6.0857 6.1244 PRESSURE: 2587400 82.2145 -69.1123 134.765 -69.1122 -7.77878 -68.4908 134.765 -68.4913 347.808 GPRESSURE: 2587400 151.365 -82.9246 129.43 -11.7722 39.4522 16.648 113.863 -150.117 330.259 PRESSAVG: 2587400 36.6762 -53.1615 4.62877 -53.1615 20.9243 23.3223 4.62879 23.3223 -32.188 GPRESSAVG: 2587400 37.0953 -52.5308 7.08982 -52.1576 22.0515 21.2893 5.03028 23.3314 -34.4253 TIMING: 2587400 CPU: 7508.35, 0.00291882/step Wall: 7508.35, 0.00291882/step, 1.9561 hours remaining, 207.820312 MB of memory in use. ENERGY: 2587400 708.6928 2069.6219 1985.4917 124.4389 -206220.4390 17927.0785 0.0000 0.0000 34103.7897 -149301.3255 297.8369 -183405.1152 -149200.5859 299.3048 140.7481 173.6921 555751.1905 8.4709 8.2405 PRESSURE: 2587600 -53.1667 182.613 246.223 182.612 32.5404 -105.942 246.222 -105.943 -80.1738 GPRESSURE: 2587600 -21.8019 148.668 198.071 224.802 32.4742 -63.7422 247.864 -115.447 -15.1393 PRESSAVG: 2587600 -0.00612076 -5.78204 16.3901 -5.782 37.1101 -2.11473 16.39 -2.11479 -23.8409 GPRESSAVG: 2587600 -0.70438 -4.02177 12.6711 -7.56846 36.3208 -3.28994 18.5563 -2.52951 -21.8775 TIMING: 2587600 CPU: 7508.93, 0.00289932/step Wall: 7508.93, 0.00289932/step, 1.94286 hours remaining, 207.820312 MB of memory in use. ENERGY: 2587600 747.0266 2091.0294 1991.4061 105.6745 -206024.7490 17610.4781 0.0000 0.0000 34222.8575 -149256.2769 298.8767 -183479.1344 -149159.2674 299.2758 -33.6000 -1.4890 556246.7056 4.4210 4.5796 PRESSURE: 2587800 -88.8519 163.075 42.7787 163.075 -131.167 92.4806 42.7787 92.4798 -61.7748 GPRESSURE: 2587800 -69.3877 237.178 59.2503 143.406 -47.1565 47.4325 63.1986 60.574 -53.2009 PRESSAVG: 2587800 49.1613 98.4297 39.9272 98.4297 41.5177 0.865658 39.9272 0.865705 -73.4327 GPRESSAVG: 2587800 50.1938 97.04 42.0113 99.7174 41.2969 1.09154 36.6357 0.536488 -74.2192 TIMING: 2587800 CPU: 7509.51, 0.00289468/step Wall: 7509.51, 0.00289468/step, 1.93959 hours remaining, 207.820312 MB of memory in use. ENERGY: 2587800 745.0630 2103.2483 1985.5022 116.3421 -206067.9627 17702.4988 0.0000 0.0000 34288.1526 -149127.1558 299.4470 -183415.3084 -149025.3618 299.1316 -93.9314 -56.5817 557291.0791 5.7488 5.7572 PRESSURE: 2588000 -228.396 -107.804 64.1035 -107.804 -20.5368 -160.736 64.1036 -160.735 69.6674 GPRESSURE: 2588000 -161.764 -35.2636 21.2303 -143.423 23.629 -230.906 70.0833 -134.495 56.3169 PRESSAVG: 2588000 -2.98669 -17.4483 23.6786 -17.4483 -30.0703 -29.3359 23.6786 -29.3358 12.9062 GPRESSAVG: 2588000 -3.16387 -16.0739 24.361 -19.1533 -30.2867 -28.4911 22.7161 -27.8078 12.8293 TIMING: 2588000 CPU: 7510.08, 0.00287878/step Wall: 7510.08, 0.00287878/step, 1.92879 hours remaining, 207.820312 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: 2588000 761.9894 2086.3212 1978.2532 109.7398 -206374.7095 17707.7806 0.0000 0.0000 34568.8101 -149161.8151 301.8980 -183730.6252 -149068.2481 299.8892 -59.7552 -27.2728 557661.8199 -6.7169 -6.8737 PRESSURE: 2588200 -37.1272 185.684 -89.9288 185.685 -40.247 -5.40393 -89.9281 -5.40488 -117.671 GPRESSURE: 2588200 -8.37043 91.6832 -106.286 159.829 -23.6952 37.1286 -105.227 -56.4296 -62.639 PRESSAVG: 2588200 -28.4539 9.71598 -19.7981 9.71594 51.7903 -36.1123 -19.7981 -36.1124 -21.4856 GPRESSAVG: 2588200 -28.3455 9.1307 -20.375 10.3142 50.4491 -37.6899 -18.0937 -34.5246 -20.0906 TIMING: 2588200 CPU: 7510.67, 0.0029152/step Wall: 7510.67, 0.0029152/step, 1.95302 hours remaining, 207.820312 MB of memory in use. ENERGY: 2588200 748.8209 2073.8020 1993.8313 121.1177 -205975.9049 17540.9137 0.0000 0.0000 34222.8092 -149274.6101 298.8763 -183497.4193 -149166.5835 299.0984 -65.0150 -31.5682 556263.7534 0.6169 0.6710 LDB: ============= START OF LOAD BALANCING ============== 7514.13 LDB: ============== END OF LOAD BALANCING =============== 7514.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7514.13 LDB: ============= START OF LOAD BALANCING ============== 7514.42 LDB: Largest compute 4821 load 0.030326 is 25.7% of average load 0.117875 LDB: Average compute 0.001727 is 1.5% of average load 0.117875 LDB: TIME 7514.42 LOAD: AVG 0.117875 MAX 0.179176 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 7514.42 LOAD: AVG 0.117875 MAX 0.179176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 7514.42 LOAD: AVG 0.117875 MAX 0.179176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7514.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7514.43 PRESSURE: 2588400 -23.2121 31.6635 -120.015 31.6642 -512.71 -246.501 -120.015 -246.502 -92.4356 GPRESSURE: 2588400 -12.9328 125.34 -105.936 60.1724 -457.422 -236.534 -92.1187 -212.413 -48.6856 PRESSAVG: 2588400 -15.4468 -3.55807 -3.93259 -3.55813 40.2461 -23.1277 -3.93259 -23.1277 -15.8955 GPRESSAVG: 2588400 -15.9864 -4.58117 -3.21569 -1.97029 42.1876 -21.5867 -5.31318 -22.7855 -16.9379 TIMING: 2588400 CPU: 7511.25, 0.00293411/step Wall: 7511.25, 0.00293411/step, 1.96552 hours remaining, 207.214844 MB of memory in use. ENERGY: 2588400 749.6509 2115.9610 2008.2149 106.9223 -206049.9912 17561.0706 0.0000 0.0000 34083.1214 -149425.0500 297.6564 -183508.1715 -149332.0034 298.7388 -209.4524 -173.0133 555940.5288 2.9679 3.0878 PRESSURE: 2588600 -261.303 30.76 32.8034 30.7598 -18.2792 -89.8814 32.8039 -89.8814 33.8158 GPRESSURE: 2588600 -248.397 61.0571 -15.4291 57.6442 -25.5599 -113.664 -33.0056 -127.411 113.126 PRESSAVG: 2588600 2.08052 15.7451 30.8509 15.745 55.2241 -56.0977 30.851 -56.0975 -35.8272 GPRESSAVG: 2588600 3.2308 13.1659 31.0268 16.0229 54.4657 -55.0539 31.5289 -59.3167 -36.4369 TIMING: 2588600 CPU: 7511.83, 0.00286009/step Wall: 7511.83, 0.00286009/step, 1.91578 hours remaining, 207.617188 MB of memory in use. ENERGY: 2588600 746.7326 2083.4454 1993.4226 102.9666 -206170.4072 17600.5843 0.0000 0.0000 34402.8172 -149240.4384 300.4484 -183643.2556 -149150.0597 299.1147 -81.9220 -53.6103 555125.1957 7.1591 7.0865 PRESSURE: 2588800 60.5966 82.8185 -2.82225 82.8184 -64.3989 -164.821 -2.8222 -164.821 -89.6822 GPRESSURE: 2588800 88.1357 9.02294 -109.644 32.0037 2.2154 -198.179 29.1241 -101.669 -82.6001 PRESSAVG: 2588800 -64.1656 27.2147 -23.7593 27.2147 72.6296 4.29048 -23.7592 4.2905 13.7124 GPRESSAVG: 2588800 -63.5459 29.0242 -25.7196 25.0973 71.36 4.18119 -23.5286 4.92338 14.0582 TIMING: 2588800 CPU: 7512.41, 0.00289576/step Wall: 7512.41, 0.00289576/step, 1.93952 hours remaining, 207.617188 MB of memory in use. ENERGY: 2588800 777.9418 2085.9277 1990.2202 111.3714 -206041.4149 17746.6667 0.0000 0.0000 34065.7830 -149263.5040 297.5050 -183329.2871 -149171.6021 298.8878 -31.1615 2.5837 555658.1810 7.3921 7.2908 PRESSURE: 2589000 -184.208 109.111 -59.2291 109.111 100.8 213.721 -59.228 213.722 -273.759 GPRESSURE: 2589000 -145.338 146.211 41.0661 129.401 132.18 160.691 -84.1631 296.4 -242.497 PRESSAVG: 2589000 34.4538 42.9974 10.2719 42.9974 24.2583 -19.2346 10.2718 -19.2345 -37.2771 GPRESSAVG: 2589000 32.5234 45.3131 9.118 41.6299 25.6363 -19.2044 10.815 -19.5039 -36.6394 TIMING: 2589000 CPU: 7512.99, 0.00290555/step Wall: 7512.99, 0.00290555/step, 1.94591 hours remaining, 207.617188 MB of memory in use. ENERGY: 2589000 769.6892 2151.5165 1959.8082 122.5537 -206314.8132 17715.7662 0.0000 0.0000 34335.6404 -149259.8390 299.8617 -183595.4794 -149163.3314 299.1205 -119.0557 -85.2186 555638.3879 7.1450 7.1734 PRESSURE: 2589200 -152.751 -35.6793 20.5685 -35.6787 -145.012 -17.9614 20.5696 -17.9636 174.626 GPRESSURE: 2589200 -118.9 -7.36052 41.9557 -122.123 -110.92 -15.0262 16.7341 -49.3321 190.432 PRESSAVG: 2589200 6.31059 14.9252 -31.9655 14.9252 10.4163 -34.8993 -31.9655 -34.8993 4.20345 GPRESSAVG: 2589200 6.45154 13.1093 -30.7235 16.8322 10.0752 -37.8687 -32.864 -33.6696 4.57244 TIMING: 2589200 CPU: 7513.57, 0.00289333/step Wall: 7513.57, 0.00289333/step, 1.93756 hours remaining, 207.617188 MB of memory in use. ENERGY: 2589200 746.8797 2081.7189 1986.8906 122.1279 -206156.0707 17769.2045 0.0000 0.0000 34100.9582 -149348.2909 297.8121 -183449.2491 -149247.0394 299.0881 -41.0456 -13.1295 558555.2436 6.9768 7.0331 PRESSURE: 2589400 19.2836 85.127 103.946 85.1269 22.6347 -131.135 103.945 -131.136 56.7585 GPRESSURE: 2589400 118.905 118.625 176.961 107.891 56.018 -192.468 25.7301 -111.282 19.4006 PRESSAVG: 2589400 -68.8438 -45.2705 -19.9611 -45.2705 83.4967 -38.418 -19.9611 -38.4178 -18.946 GPRESSAVG: 2589400 -69.0214 -43.3371 -17.3861 -44.8627 82.5937 -38.0831 -21.8283 -39.1552 -17.9045 TIMING: 2589400 CPU: 7514.15, 0.00290257/step Wall: 7514.15, 0.00290257/step, 1.94359 hours remaining, 207.617188 MB of memory in use. ENERGY: 2589400 753.5498 2121.4548 1998.7586 122.3240 -206612.3386 17871.1317 0.0000 0.0000 34431.5050 -149313.6147 300.6989 -183745.1196 -149214.5805 298.6572 32.8923 64.7744 557298.2797 -1.4310 -1.4441 PRESSURE: 2589600 -156.34 -23.2449 64.0318 -23.2451 -127.037 -68.4927 64.0324 -68.4908 83.2691 GPRESSURE: 2589600 -146.96 -56.7145 76.7889 56.7944 -73.7604 -6.97467 1.74868 -63.3614 125.315 PRESSAVG: 2589600 -32.6144 -10.4607 12.941 -10.4607 1.75336 -43.0246 12.941 -43.0246 30.9217 GPRESSAVG: 2589600 -32.491 -10.8034 12.4111 -12.5663 2.39901 -40.576 14.2745 -41.8667 30.9901 TIMING: 2589600 CPU: 7514.73, 0.00290277/step Wall: 7514.73, 0.00290277/step, 1.94356 hours remaining, 207.617188 MB of memory in use. ENERGY: 2589600 755.4963 2111.0988 1963.3747 129.1459 -206402.6957 17861.3465 0.0000 0.0000 34269.8441 -149312.3892 299.2871 -183582.2334 -149216.7706 298.5874 -66.7025 -31.8018 557603.1056 0.0202 0.2994 PRESSURE: 2589800 -89.6154 -21.7145 18.8061 -21.7149 -123.924 -18.7084 18.8059 -18.7126 -362.865 GPRESSURE: 2589800 -85.0099 -69.5147 15.089 10.1288 -92.7686 -61.5349 21.8794 -78.575 -299.61 PRESSAVG: 2589800 -96.3221 4.205 46.4159 4.20498 48.3288 -17.7495 46.4157 -17.7496 34.7897 GPRESSAVG: 2589800 -95.6831 2.89683 46.3833 6.34719 48.7549 -16.9995 46.2867 -19.5105 34.4302 TIMING: 2589800 CPU: 7515.31, 0.00291618/step Wall: 7515.31, 0.00291618/step, 1.95238 hours remaining, 207.617188 MB of memory in use. ENERGY: 2589800 709.3283 2153.9790 1953.9490 120.3808 -206362.4522 17651.4387 0.0000 0.0000 34347.7340 -149425.6424 299.9673 -183773.3764 -149333.5617 299.7390 -192.1346 -159.1296 558441.5087 -4.4012 -4.1660 PRESSURE: 2590000 199.442 -53.1694 -96.9807 -53.1701 93.5243 -114.567 -96.9813 -114.566 17.098 GPRESSURE: 2590000 264.408 -99.1731 -138.191 -43.8848 94.2362 -185.224 -15.9453 -89.3077 49.5978 PRESSAVG: 2590000 53.8028 14.6353 2.82304 14.6352 -12.1319 -18.088 2.82305 -18.088 -31.7838 GPRESSAVG: 2590000 53.4807 12.3444 0.27175 15.1518 -12.2104 -20.3162 6.14276 -16.2389 -31.8008 TIMING: 2590000 CPU: 7515.89, 0.0029228/step Wall: 7515.89, 0.0029228/step, 1.95665 hours remaining, 207.617188 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: 2590000 766.7455 2163.7182 1968.4046 112.1207 -206709.6743 18053.4127 0.0000 0.0000 34288.5982 -149356.6745 299.4509 -183645.2727 -149259.5525 299.1609 103.3547 136.0806 558080.4999 3.2957 3.1565 PRESSURE: 2590200 -222.362 -158.32 -114.687 -158.319 331.362 -24.88 -114.687 -24.8811 -162.879 GPRESSURE: 2590200 -170.796 -133.585 -157.53 -91.4403 311.177 -38.1163 -127.809 -54.1024 -106.349 PRESSAVG: 2590200 -6.3522 -48.0199 -25.1617 -48.0199 44.5369 34.0507 -25.1618 34.0508 -23.2158 GPRESSAVG: 2590200 -6.46902 -47.0405 -24.9775 -49.2826 43.4021 34.3214 -27.1826 33.1468 -22.677 TIMING: 2590200 CPU: 7516.48, 0.00291538/step Wall: 7516.48, 0.00291538/step, 1.95152 hours remaining, 207.617188 MB of memory in use. ENERGY: 2590200 756.6938 2125.0346 1987.9239 117.3584 -206674.0684 17947.0084 0.0000 0.0000 34135.7175 -149604.3317 298.1157 -183740.0492 -149507.5643 298.2756 -17.9597 11.3438 557362.6841 4.9896 4.7520 PRESSURE: 2590400 -164.018 22.9237 -119.958 22.9235 -391.484 -74.3059 -119.958 -74.3062 -40.7909 GPRESSURE: 2590400 -136.15 9.13579 -58.7971 77.4038 -368.664 -75.12 -158.372 -86.2204 -0.864515 PRESSAVG: 2590400 65.9781 -6.65956 -36.5274 -6.65961 -35.997 60.7921 -36.5276 60.7921 -28.6861 GPRESSAVG: 2590400 65.9762 -7.00942 -34.1797 -5.98239 -35.6595 62.1472 -36.2936 59.45 -29.09 TIMING: 2590400 CPU: 7517.06, 0.00290943/step Wall: 7517.06, 0.00290943/step, 1.94738 hours remaining, 207.617188 MB of memory in use. ENERGY: 2590400 765.7285 2095.5627 1969.1518 116.3458 -206044.7311 17504.7510 0.0000 0.0000 34111.2694 -149481.9218 297.9022 -183593.1912 -149385.3967 298.6379 -198.7645 -168.5595 557743.3489 0.4317 0.4089 PRESSURE: 2590600 74.6437 135.58 -42.1718 135.581 116.538 -10.6974 -42.1723 -10.6964 -56.4479 GPRESSURE: 2590600 107.338 85.9415 15.9976 71.5277 148.369 -15.3829 -59.5509 19.5122 -37.811 PRESSAVG: 2590600 22.4305 -1.46371 16.6609 -1.46378 14.5906 -28.1184 16.6609 -28.1183 -50.5046 GPRESSAVG: 2590600 22.8854 -1.87604 15.3215 -0.160154 15.0799 -28.0491 16.8102 -27.9186 -51.7883 TIMING: 2590600 CPU: 7517.64, 0.00290401/step Wall: 7517.64, 0.00290401/step, 1.94359 hours remaining, 207.617188 MB of memory in use. ENERGY: 2590600 751.0561 2037.5479 1954.6713 108.2094 -206299.2613 17788.7744 0.0000 0.0000 34065.1418 -149593.8605 297.4994 -183659.0023 -149496.5968 298.1989 44.9114 72.6319 556693.4596 -4.4945 -4.6077 PRESSURE: 2590800 -130.295 -16.5877 34.2803 -16.5882 100.878 -96.255 34.2806 -96.2541 -189.081 GPRESSURE: 2590800 -109.487 -77.9086 72.8283 -36.3834 129.905 -97.7718 27.9236 -56.5921 -145.684 PRESSAVG: 2590800 -56.6845 26.9079 -0.59378 26.9079 31.6962 26.3981 -0.59382 26.3981 -2.72624 GPRESSAVG: 2590800 -56.8692 26.2958 1.56799 23.7425 31.2259 23.6212 -2.87464 28.1175 -2.40009 TIMING: 2590800 CPU: 7518.22, 0.00290361/step Wall: 7518.22, 0.00290361/step, 1.94316 hours remaining, 207.617188 MB of memory in use. ENERGY: 2590800 766.2063 2139.1673 1934.7386 115.4906 -206631.2100 17895.8550 0.0000 0.0000 34036.2156 -149743.5366 297.2467 -183779.7522 -149650.0323 298.0139 -72.8325 -41.7554 555352.2659 -9.2382 -9.3478 PRESSURE: 2591000 47.0254 -142.51 -264.932 -142.509 84.5895 -47.0036 -264.932 -47.0045 38.931 GPRESSURE: 2591000 81.8414 -157.76 -302.88 -143.959 139.241 -63.6827 -199.565 46.6149 35.8594 PRESSAVG: 2591000 -10.1823 10.6462 -3.45682 10.6461 1.72605 -23.5311 -3.45672 -23.5311 -26.0234 GPRESSAVG: 2591000 -9.37018 11.4056 -7.91803 12.1583 1.42192 -23.0755 -0.911726 -24.6734 -27.0381 TIMING: 2591000 CPU: 7518.8, 0.00290445/step Wall: 7518.8, 0.00290445/step, 1.94356 hours remaining, 207.617188 MB of memory in use. ENERGY: 2591000 797.1948 2108.6674 1983.1685 124.2572 -206952.0246 18136.9622 0.0000 0.0000 34156.9272 -149644.8474 298.3009 -183801.7745 -149552.3747 298.3810 56.8486 85.6472 555700.7071 -11.4932 -11.6621 PRESSURE: 2591200 -427.799 -70.6111 136.221 -70.612 -30.2573 0.387168 136.222 0.383961 222.165 GPRESSURE: 2591200 -407.099 -17.2822 149.968 -151.364 22.2724 -33.7055 128.41 -30.6566 240.874 PRESSAVG: 2591200 -82.144 22.1883 -27.5766 22.1884 11.784 -56.4786 -27.5767 -56.4787 58.945 GPRESSAVG: 2591200 -84.1022 22.5485 -27.2816 22.8005 13.7694 -55.7556 -27.5345 -55.3838 59.2972 TIMING: 2591200 CPU: 7519.38, 0.00289093/step Wall: 7519.38, 0.00289093/step, 1.93436 hours remaining, 207.617188 MB of memory in use. ENERGY: 2591200 766.8308 2100.4578 1954.1891 113.0347 -206194.0544 17696.1170 0.0000 0.0000 33887.1383 -149676.2866 295.9448 -183563.4249 -149582.9188 297.8296 -78.6306 -47.9841 556845.6762 -3.8050 -3.6785 PRESSURE: 2591400 -241.066 72.5662 207.474 72.5659 45.8591 -68.293 207.475 -68.2928 -54.6809 GPRESSURE: 2591400 -213.117 30.4374 195.228 107.138 74.7608 -89.8983 189.162 -80.9596 0.67325 PRESSAVG: 2591400 -62.5978 -4.84119 52.7837 -4.8411 16.6231 4.97006 52.7836 4.97001 51.115 GPRESSAVG: 2591400 -61.2473 -5.78198 53.6566 -5.41746 15.3702 3.69574 51.0684 4.96906 50.7707 TIMING: 2591400 CPU: 7519.96, 0.00288372/step Wall: 7519.96, 0.00288372/step, 1.92937 hours remaining, 207.617188 MB of memory in use. ENERGY: 2591400 743.5029 2068.2152 1957.8495 118.0976 -206237.9907 17732.5828 0.0000 0.0000 34086.9334 -149530.8093 297.6897 -183617.7427 -149433.5825 298.0958 -83.2958 -45.8945 556537.1947 1.7134 1.6312 PRESSURE: 2591600 -315.64 6.66365 97.5381 6.66302 100.262 -215.534 97.5357 -215.533 -167.861 GPRESSURE: 2591600 -211.486 -41.3206 91.8023 17.2126 122.579 -172.624 60.596 -221.319 -183.701 PRESSAVG: 2591600 4.9245 -0.858976 34.418 -0.858875 -38.3757 -35.4401 34.4181 -35.4401 36.9158 GPRESSAVG: 2591600 4.73461 -1.13252 36.446 -2.23796 -37.9042 -33.6858 33.6573 -36.3043 37.0044 TIMING: 2591600 CPU: 7520.54, 0.00290056/step Wall: 7520.54, 0.00290056/step, 1.94047 hours remaining, 207.617188 MB of memory in use. ENERGY: 2591600 743.4442 2073.0810 1970.5017 109.6098 -206322.8803 17809.3462 0.0000 0.0000 34147.6790 -149469.2185 298.2202 -183616.8975 -149373.0943 299.0965 -127.7462 -90.8695 556680.2654 1.1549 1.2783 PRESSURE: 2591800 -12.3918 -107.986 -40.598 -107.987 -109.354 173.582 -40.5977 173.582 -136.285 GPRESSURE: 2591800 41.6519 -95.4932 -84.8353 -65.203 -78.2079 159.582 -21.2999 153.209 -121.108 PRESSAVG: 2591800 21.1071 -3.64145 39.5268 -3.64149 -23.8748 -12.0878 39.5268 -12.0879 -32.1567 GPRESSAVG: 2591800 21.6078 -1.86176 37.6859 -2.20141 -23.4631 -12.5756 40.3889 -11.3189 -32.3436 TIMING: 2591800 CPU: 7521.12, 0.0029069/step Wall: 7521.12, 0.0029069/step, 1.94456 hours remaining, 207.617188 MB of memory in use. ENERGY: 2591800 722.2518 2128.0462 1961.7615 104.5636 -206222.4164 17758.7336 0.0000 0.0000 34181.5406 -149365.5190 298.5159 -183547.0597 -149269.5417 299.0364 -86.0103 -52.5547 557981.8222 -11.6415 -11.3996 PRESSURE: 2592000 -136.394 55.3084 -26.0049 55.3079 78.5141 84.9771 -26.0043 84.9765 -263.669 GPRESSURE: 2592000 -144.256 12.1196 15.3894 55.8035 126.1 84.3737 -57.4583 49.6631 -224.373 PRESSAVG: 2592000 -30.088 -0.746912 35.6279 -0.746896 43.1587 10.4795 35.6279 10.4796 -3.94381 GPRESSAVG: 2592000 -30.674 -1.16383 36.4766 -1.08344 41.9238 9.208 35.5912 11.0367 -2.89178 TIMING: 2592000 CPU: 7521.7, 0.00289688/step Wall: 7521.7, 0.00289688/step, 1.93769 hours remaining, 207.617188 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: 2592000 731.5428 2088.1875 1970.8077 124.1981 -206053.0336 17664.8246 0.0000 0.0000 33939.2223 -149534.2507 296.3997 -183473.4730 -149442.9663 298.3395 -107.1829 -80.8431 556689.0958 3.0423 2.7860 PRESSURE: 2592200 -270.219 -26.0382 -112.342 -26.0386 -117.52 -62.1971 -112.341 -62.1986 -230.652 GPRESSURE: 2592200 -238.778 -47.2498 -111.595 33.9551 -121.598 12.4072 -185.261 -99.4927 -172.503 PRESSAVG: 2592200 -20.1098 25.3498 37.2281 25.3499 78.1232 -35.7233 37.2281 -35.7233 -36.6169 GPRESSAVG: 2592200 -20.267 25.5926 35.3518 26.71 80.2477 -33.0876 37.2434 -37.6626 -38.4279 TIMING: 2592200 CPU: 7522.28, 0.00289033/step Wall: 7522.28, 0.00289033/step, 1.93315 hours remaining, 207.878906 MB of memory in use. ENERGY: 2592200 780.0587 2090.4993 1970.2985 104.4504 -206377.5960 17704.8167 0.0000 0.0000 34143.5162 -149583.9562 298.1838 -183727.4724 -149491.5202 298.0846 -206.1304 -177.6265 556526.7222 7.1322 7.1842 LDB: ============= START OF LOAD BALANCING ============== 7525.74 LDB: ============== END OF LOAD BALANCING =============== 7525.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7525.74 LDB: ============= START OF LOAD BALANCING ============== 7526.03 LDB: Largest compute 4821 load 0.031330 is 26.6% of average load 0.117848 LDB: Average compute 0.001711 is 1.5% of average load 0.117848 LDB: TIME 7526.04 LOAD: AVG 0.117848 MAX 0.179313 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.43 MB LDB: TIME 7526.04 LOAD: AVG 0.117848 MAX 0.179313 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: TIME 7526.04 LOAD: AVG 0.117848 MAX 0.179313 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: ============== END OF LOAD BALANCING =============== 7526.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7526.04 PRESSURE: 2592400 -47.9923 60.9629 66.3418 60.9631 -185.624 -86.8396 66.3412 -86.84 -253.57 GPRESSURE: 2592400 -31.4442 20.7524 58.363 48.4345 -150.449 -51.4935 90.3788 -113.596 -222.77 PRESSAVG: 2592400 1.32515 51.6845 -36.8756 51.6845 36.4391 4.24158 -36.8757 4.24155 -0.0418374 GPRESSAVG: 2592400 1.82408 50.492 -35.1171 51.3552 34.2725 1.96735 -35.8947 4.03009 1.68245 TIMING: 2592400 CPU: 7522.87, 0.00295566/step Wall: 7522.87, 0.00295566/step, 1.97668 hours remaining, 206.652344 MB of memory in use. ENERGY: 2592400 819.7620 2102.1370 1958.5454 112.2154 -205952.5104 17533.0407 0.0000 0.0000 34036.4183 -149390.3914 297.2485 -183426.8097 -149292.9624 298.1167 -162.3955 -134.8879 557768.5345 12.5741 12.5930 PRESSURE: 2592600 -26.7916 53.4763 -24.7585 53.4755 322.147 30.5931 -24.7573 30.594 -2.07101 GPRESSURE: 2592600 34.1248 143.652 -52.1121 -8.49008 319.681 26.0454 14.6483 -70.8676 40.4558 PRESSAVG: 2592600 16.7882 53.4511 -40.2539 53.4512 7.3349 -55.6543 -40.2539 -55.6542 -8.99594 GPRESSAVG: 2592600 16.1355 54.2316 -42.363 53.82 7.0235 -54.4586 -38.1501 -55.2018 -8.16598 TIMING: 2592600 CPU: 7523.44, 0.0028888/step Wall: 7523.44, 0.0028888/step, 1.93181 hours remaining, 206.855469 MB of memory in use. ENERGY: 2592600 780.2747 2091.9066 1976.1377 111.8468 -206589.2590 18004.3709 0.0000 0.0000 34296.3796 -149328.3426 299.5188 -183624.7222 -149227.8628 298.7986 97.7616 131.4204 556246.3841 5.0424 4.9977 PRESSURE: 2592800 -64.6014 -59.4963 11.141 -59.4957 9.05132 -138.075 11.1405 -138.073 89.1852 GPRESSURE: 2592800 59.9082 -34.5523 -6.95602 21.0476 -2.26093 -151.366 42.6755 -123.153 78.3838 PRESSAVG: 2592800 23.453 33.5779 77.5406 33.5779 12.1333 -70.7433 77.5406 -70.7433 13.5499 GPRESSAVG: 2592800 23.8181 34.3981 78.5968 31.6591 14.2145 -71.4756 75.5751 -69.1448 11.2454 TIMING: 2592800 CPU: 7524.03, 0.00290585/step Wall: 7524.03, 0.00290585/step, 1.94304 hours remaining, 206.855469 MB of memory in use. ENERGY: 2592800 760.4586 2135.7040 1971.9041 112.9048 -206512.3825 17976.3123 0.0000 0.0000 34086.1831 -149468.9157 297.6831 -183555.0988 -149383.1414 298.3709 11.2117 45.3437 556869.7053 16.3788 16.4260 PRESSURE: 2593000 -228.101 71.4969 85.0349 71.4975 12.2037 -83.0394 85.0358 -83.04 73.047 GPRESSURE: 2593000 -182.61 124.339 53.787 54.3462 47.4177 -31.6647 2.7723 -96.7434 97.1535 PRESSAVG: 2593000 -23.6529 31.5883 26.6651 31.5882 -33.5762 -83.2303 26.6651 -83.2303 44.6695 GPRESSAVG: 2593000 -23.309 29.685 27.7559 34.8094 -35.3269 -83.1203 25.6962 -84.4398 45.8388 TIMING: 2593000 CPU: 7524.61, 0.0029014/step Wall: 7524.61, 0.0029014/step, 1.93991 hours remaining, 206.855469 MB of memory in use. ENERGY: 2593000 757.8274 2088.9894 1956.0439 112.3915 -206301.9739 17720.4605 0.0000 0.0000 34148.2684 -149517.9926 298.2253 -183666.2611 -149424.8740 298.0764 -47.6166 -12.6796 556389.8925 -4.1865 -4.2657 PRESSURE: 2593200 -82.8816 -136.04 -37.2729 -136.039 -180.451 -129.762 -37.2738 -129.762 157.321 GPRESSURE: 2593200 -7.74227 -54.9303 28.8802 -131.312 -184.038 -70.584 -7.37677 -177.515 190.542 PRESSAVG: 2593200 6.01983 -34.7268 24.0212 -34.7268 -42.535 -45.5658 24.0211 -45.5657 1.75482 GPRESSAVG: 2593200 6.19892 -32.5395 24.2538 -35.1489 -43.1049 -46.5295 23.7347 -46.6732 2.04826 TIMING: 2593200 CPU: 7525.19, 0.00290102/step Wall: 7525.19, 0.00290102/step, 1.9395 hours remaining, 207.058594 MB of memory in use. ENERGY: 2593200 712.3369 2109.5562 1985.2897 113.1852 -206317.3017 17687.9509 0.0000 0.0000 34235.0225 -149473.9603 298.9830 -183708.9828 -149375.9485 298.0651 -35.3373 -0.4126 556499.0278 -11.5868 -11.6193 PRESSURE: 2593400 -36.1916 -44.43 23.6379 -44.4308 33.4194 126.004 23.6393 126.004 -144.622 GPRESSURE: 2593400 38.9785 -74.7019 -13.7396 -52.2915 22.9962 158.968 -8.15463 187.817 -109.138 PRESSAVG: 2593400 -26.8672 31.9247 -23.6056 31.9246 -27.8369 -56.4513 -23.6056 -56.4514 26.7772 GPRESSAVG: 2593400 -27.5948 30.6932 -25.5267 30.6992 -25.9835 -54.3165 -20.8391 -56.352 26.097 TIMING: 2593400 CPU: 7525.77, 0.00290369/step Wall: 7525.77, 0.00290369/step, 1.94112 hours remaining, 207.058594 MB of memory in use. ENERGY: 2593400 752.9700 2111.1296 1950.8048 103.8805 -206090.7125 17701.1766 0.0000 0.0000 34011.9058 -149458.8453 297.0344 -183470.7510 -149361.4349 298.8109 -49.1314 -15.7211 557361.3931 -9.3090 -9.1604 PRESSURE: 2593600 -63.5866 -86.9778 -143 -86.9779 -267.415 12.946 -142.999 12.9455 -41.2018 GPRESSURE: 2593600 -74.9814 -6.35326 -50.5014 -74.6012 -270.725 68.6172 -197.125 -15.522 45.2646 PRESSAVG: 2593600 28.4774 14.0244 25.6952 14.0244 -42.7996 -53.1385 25.695 -53.1386 21.507 GPRESSAVG: 2593600 28.6949 13.9731 27.8444 13.9323 -43.6795 -53.8849 23.8703 -53.041 22.3612 TIMING: 2593600 CPU: 7526.35, 0.00289896/step Wall: 7526.35, 0.00289896/step, 1.93779 hours remaining, 207.058594 MB of memory in use. ENERGY: 2593600 751.7516 2071.9893 1986.7068 120.9861 -206178.9333 17556.9177 0.0000 0.0000 34340.7372 -149349.8447 299.9062 -183690.5819 -149250.6399 298.9995 -124.0676 -100.1472 557855.1470 2.3949 2.4589 PRESSURE: 2593800 -132.277 35.0549 -56.8745 35.0548 163.428 -146.16 -56.8743 -146.161 97.6513 GPRESSURE: 2593800 -127.329 46.9283 -48.9508 7.34469 186.886 -137.111 -94.1066 -164.063 173.181 PRESSAVG: 2593800 20.6407 26.5079 6.63607 26.5078 -7.66394 -25.4516 6.63598 -25.4514 41.8101 GPRESSAVG: 2593800 21.6678 25.9126 5.0492 25.7103 -8.14841 -25.5253 5.4954 -26.9912 41.1164 TIMING: 2593800 CPU: 7526.93, 0.00290952/step Wall: 7526.93, 0.00290952/step, 1.94469 hours remaining, 207.058594 MB of memory in use. ENERGY: 2593800 752.3744 2076.2725 1952.5509 118.6346 -206524.5189 17998.8559 0.0000 0.0000 34408.7735 -149217.0571 300.5004 -183625.8306 -149123.3197 299.3747 42.9341 77.5794 557197.7461 18.2623 18.2119 PRESSURE: 2594000 -193.239 -170.235 -39.7937 -170.236 -0.720628 333.017 -39.7929 333.017 251.269 GPRESSURE: 2594000 -139.964 -193.827 -23.1603 -161.368 4.64769 351.784 -54.9426 353.756 292.102 PRESSAVG: 2594000 -5.68608 -1.48113 -24.7953 -1.48109 1.7004 -68.4112 -24.7954 -68.4111 0.71662 GPRESSAVG: 2594000 -7.87091 -1.3953 -21.7872 0.436898 1.91077 -67.0358 -24.639 -68.5269 2.2422 TIMING: 2594000 CPU: 7527.51, 0.00290503/step Wall: 7527.51, 0.00290503/step, 1.94153 hours remaining, 207.058594 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: 2594000 750.7217 2066.3704 1940.9282 114.5982 -206242.4192 17940.8052 0.0000 0.0000 34361.4203 -149067.5752 300.0868 -183428.9955 -148975.7440 299.4855 19.1033 52.2618 558539.4354 -1.0897 -1.2393 PRESSURE: 2594200 -223.616 174.389 112.627 174.391 -261.947 -72.4212 112.627 -72.4214 94.7118 GPRESSURE: 2594200 -251.417 218.74 67.3467 75.3845 -197.855 -21.5713 124.803 -163.885 165.733 PRESSAVG: 2594200 -5.46325 -17.3728 17.1403 -17.3727 0.12223 -37.9492 17.1403 -37.9493 19.523 GPRESSAVG: 2594200 -4.55536 -12.7189 16.9919 -20.1443 -1.15985 -38.3487 16.8488 -36.5878 19.5684 TIMING: 2594200 CPU: 7528.09, 0.00291113/step Wall: 7528.09, 0.00291113/step, 1.94545 hours remaining, 207.058594 MB of memory in use. ENERGY: 2594200 742.5899 2147.6447 1984.4417 113.2277 -205879.2795 17643.4295 0.0000 0.0000 34229.4202 -149018.5258 298.9340 -183247.9460 -148925.6431 299.4741 -130.2836 -94.5131 557347.1134 4.7273 4.6177 PRESSURE: 2594400 65.0642 49.1551 -134.837 49.1547 -123.576 30.2543 -134.837 30.2541 -199.971 GPRESSURE: 2594400 94.014 51.802 -119.819 64.7429 -92.3619 32.9919 -66.9345 -16.4694 -172.864 PRESSAVG: 2594400 9.75108 31.302 -9.25639 31.302 19.271 -14.8281 -9.25642 -14.8281 -0.23952 GPRESSAVG: 2594400 9.28417 28.6 -11.3093 30.8389 20.8636 -14.7435 -8.05567 -16.6079 -1.44247 TIMING: 2594400 CPU: 7528.67, 0.0029029/step Wall: 7528.67, 0.0029029/step, 1.93978 hours remaining, 207.058594 MB of memory in use. ENERGY: 2594400 791.3577 2090.7501 1963.5751 115.8847 -205913.8564 17740.5771 0.0000 0.0000 34247.5033 -148964.2083 299.0920 -183211.7117 -148870.5243 299.5282 -86.1610 -57.0706 557879.4362 9.5942 9.5684 PRESSURE: 2594600 -27.4147 -101.762 95.3901 -101.762 -140.68 -41.28 95.3908 -41.2797 48.4567 GPRESSURE: 2594600 -4.69146 -94.0409 90.2796 -171.399 -132.054 -75.0091 68.3764 -24.3147 123.806 PRESSAVG: 2594600 -16.6712 3.76015 -25.1338 3.7602 27.8207 -37.7912 -25.1338 -37.7911 5.26262 GPRESSAVG: 2594600 -14.7925 3.24555 -24.6192 6.6535 26.0106 -38.4201 -23.5075 -34.8377 5.28106 TIMING: 2594600 CPU: 7529.25, 0.00290355/step Wall: 7529.25, 0.00290355/step, 1.94006 hours remaining, 207.058594 MB of memory in use. ENERGY: 2594600 741.9981 2067.1411 1949.3143 114.4906 -205793.6352 17738.8884 0.0000 0.0000 34286.2313 -148895.5715 299.4302 -183181.8027 -148795.5312 299.9940 -39.8794 -4.3132 557892.5108 5.4707 5.4997 PRESSURE: 2594800 496.274 31.8213 96.8429 31.8213 124.707 70.7871 96.8419 70.7874 333.319 GPRESSURE: 2594800 418.416 42.9114 198.852 61.2714 236.347 26.9697 101.056 48.3087 394.497 PRESSAVG: 2594800 29.989 -19.5751 22.4463 -19.5751 -38.2579 8.32898 22.4464 8.32893 -5.66827 GPRESSAVG: 2594800 28.5113 -21.1221 22.581 -20.0625 -36.6372 5.96381 22.2113 8.34272 -5.44116 TIMING: 2594800 CPU: 7529.83, 0.0028933/step Wall: 7529.83, 0.0028933/step, 1.93304 hours remaining, 207.058594 MB of memory in use. ENERGY: 2594800 711.9288 2140.8063 1969.5981 113.8875 -206022.2894 18063.5240 0.0000 0.0000 34312.5711 -148709.9736 299.6602 -183022.5447 -148612.9878 300.5435 318.1002 349.7531 557941.9101 -4.6457 -4.5224 PRESSURE: 2595000 14.9246 49.5711 88.617 49.5703 233.353 -1.04334 88.6172 -1.04282 371.653 GPRESSURE: 2595000 -25.9092 63.9597 61.3484 2.09772 295.817 25.9976 120.351 -2.17043 460.961 PRESSAVG: 2595000 29.7026 10.5294 -61.6807 10.5294 -10.904 -15.6764 -61.6807 -15.6763 -7.88 GPRESSAVG: 2595000 28.8527 11.8299 -63.0912 8.9081 -9.80284 -12.4397 -63.5919 -16.7483 -8.11837 TIMING: 2595000 CPU: 7530.41, 0.00289553/step Wall: 7530.41, 0.00289553/step, 1.93437 hours remaining, 207.058594 MB of memory in use. ENERGY: 2595000 708.3038 2115.7676 1942.3670 108.9734 -205925.0407 17921.1863 0.0000 0.0000 34427.2198 -148701.2229 300.6615 -183128.4427 -148605.1487 299.9411 206.6435 243.6227 557371.6529 3.6395 3.6438 PRESSURE: 2595200 -39.0648 -176.798 70.3641 -176.797 142.918 -54.7016 70.364 -54.6996 -115.021 GPRESSURE: 2595200 -64.1325 -111.521 -39.3406 -169.466 191.123 -65.7265 61.6095 -95.7817 -54.3081 PRESSAVG: 2595200 40.964 -19.3398 11.4017 -19.3397 23.0562 -26.9812 11.4016 -26.9812 -85.8456 GPRESSAVG: 2595200 40.3396 -19.1054 11.6244 -17.871 22.095 -27.8184 11.4906 -27.5582 -84.7014 TIMING: 2595200 CPU: 7530.99, 0.00290088/step Wall: 7530.99, 0.00290088/step, 1.93779 hours remaining, 207.058594 MB of memory in use. ENERGY: 2595200 710.5778 2100.7915 1962.2806 109.7560 -205542.8608 17489.5829 0.0000 0.0000 34399.8689 -148770.0032 300.4226 -183169.8721 -148673.9138 300.7102 -3.7224 24.2276 557782.9977 -7.2751 -7.4223 PRESSURE: 2595400 170.892 -151.633 77.9825 -151.633 147.631 -112.011 77.9815 -112.011 164.388 GPRESSURE: 2595400 227.611 -161.423 81.0697 -121.93 204.011 -72.8295 48.5389 -39.3006 156.363 PRESSAVG: 2595400 -77.4606 -38.7904 34.4697 -38.7905 50.3872 -27.8917 34.4696 -27.8917 9.95061 GPRESSAVG: 2595400 -74.4417 -40.9311 35.2785 -37.6091 48.5462 -28.49 35.3445 -28.4639 8.11347 TIMING: 2595400 CPU: 7531.57, 0.00290861/step Wall: 7531.57, 0.00290861/step, 1.94279 hours remaining, 207.058594 MB of memory in use. ENERGY: 2595400 703.2796 2077.3276 1926.7888 111.9294 -206359.6613 18080.9190 0.0000 0.0000 34233.1369 -149226.2800 298.9665 -183459.4169 -149123.4609 299.9064 160.9706 195.9950 556487.9249 -5.7076 -5.9274 PRESSURE: 2595600 -47.0037 -157.975 -80.0938 -157.976 88.1691 -89.7844 -80.0942 -89.7841 11.538 GPRESSURE: 2595600 -24.1818 -121.333 -139.311 -150.453 55.064 -58.9282 24.1858 -141.756 123.82 PRESSAVG: 2595600 -24.575 -29.1798 -17.9297 -29.1799 12.5294 -70.5629 -17.9297 -70.5629 -9.23781 GPRESSAVG: 2595600 -25.91 -26.3325 -17.9195 -29.9153 13.5806 -71.4382 -16.6937 -67.876 -8.97629 TIMING: 2595600 CPU: 7532.16, 0.00291855/step Wall: 7532.16, 0.00291855/step, 1.94927 hours remaining, 207.058594 MB of memory in use. ENERGY: 2595600 746.4439 2087.3134 1950.3031 112.2427 -206143.5260 17811.5011 0.0000 0.0000 34132.1142 -149303.6078 298.0842 -183435.7219 -149204.8665 298.7499 17.5678 51.5674 557399.2610 -7.0945 -7.1019 PRESSURE: 2595800 167.706 -108.091 -3.99384 -108.092 223.15 -35.6935 -3.99575 -35.6944 100.179 GPRESSURE: 2595800 222.54 -131.354 1.07132 -28.9839 271.314 119.555 19.528 -109.543 103.293 PRESSAVG: 2595800 0.471557 -1.12387 3.6674 -1.12388 1.67065 -27.1159 3.66748 -27.1158 55.9805 GPRESSAVG: 2595800 0.544342 -3.16385 4.2409 -0.0286612 2.27498 -25.0331 2.37155 -30.6107 55.0672 TIMING: 2595800 CPU: 7532.74, 0.00290795/step Wall: 7532.74, 0.00290795/step, 1.94203 hours remaining, 207.058594 MB of memory in use. ENERGY: 2595800 691.9080 2106.6222 1963.1152 113.2610 -206405.4660 18060.1684 0.0000 0.0000 34258.3274 -149212.0638 299.1865 -183470.3912 -149119.5765 299.2851 163.6787 199.0493 557636.9512 19.3742 19.2955 PRESSURE: 2596000 54.6579 -133.782 -55.1561 -133.783 -117.4 41.7927 -55.1551 41.7931 -122.002 GPRESSURE: 2596000 117.009 -95.0004 -121.064 -97.7648 -94.3293 -62.8443 -45.4533 117.603 -108.415 PRESSAVG: 2596000 53.4912 -46.5261 -10.3623 -46.526 -10.5355 -34.162 -10.3623 -34.162 -33.1291 GPRESSAVG: 2596000 53.1243 -45.3386 -10.8315 -48.7209 -11.767 -36.383 -11.8213 -33.5879 -32.0729 TIMING: 2596000 CPU: 7533.33, 0.00293616/step Wall: 7533.33, 0.00293616/step, 1.9607 hours remaining, 207.058594 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: 2596000 730.7092 2102.8574 1957.4873 118.6502 -206241.1541 17742.4814 0.0000 0.0000 34248.6887 -149340.2799 299.1023 -183588.9687 -149242.0421 298.0256 -61.5813 -28.5784 557173.7839 3.2755 3.0948 PRESSURE: 2596200 -110.465 -59.5571 -66.9669 -59.5568 -143.286 109.397 -66.9678 109.398 -332.175 GPRESSURE: 2596200 -30.052 -72.3112 -67.4323 -48.8448 -171.952 -42.2213 -88.6056 213.28 -287.211 PRESSAVG: 2596200 15.3948 -23.1874 14.0347 -23.1875 26.0794 -2.23805 14.0347 -2.23811 21.2887 GPRESSAVG: 2596200 15.0862 -21.9387 13.4985 -21.9603 27.113 -1.59089 15.4251 -0.60605 20.7438 TIMING: 2596200 CPU: 7533.91, 0.00290041/step Wall: 7533.91, 0.00290041/step, 1.93667 hours remaining, 207.058594 MB of memory in use. ENERGY: 2596200 720.8170 2052.5124 1993.1367 121.1557 -205703.0002 17414.9883 0.0000 0.0000 34449.1052 -148951.2850 300.8526 -183400.3902 -148856.3977 299.3236 -195.3085 -163.0715 558391.6040 20.9210 20.9810 LDB: ============= START OF LOAD BALANCING ============== 7537.37 LDB: ============== END OF LOAD BALANCING =============== 7537.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7537.37 LDB: ============= START OF LOAD BALANCING ============== 7537.66 LDB: Largest compute 4821 load 0.031369 is 26.6% of average load 0.117737 LDB: Average compute 0.001723 is 1.5% of average load 0.117737 LDB: TIME 7537.67 LOAD: AVG 0.117737 MAX 0.177929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 7537.67 LOAD: AVG 0.117737 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.805 MB LDB: TIME 7537.67 LOAD: AVG 0.117737 MAX 0.177929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.805 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7537.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7537.67 PRESSURE: 2596400 -306.985 -69.2683 -21.3616 -69.2669 -350.972 66.3177 -21.3609 66.3175 104.74 GPRESSURE: 2596400 -295.541 -71.7635 -39.4481 -121.141 -266.129 129.629 -30.0584 -39.9842 116.61 PRESSAVG: 2596400 -22.7618 -7.31066 2.93024 -7.3107 13.14 -17.6923 2.93028 -17.6922 -3.09501 GPRESSAVG: 2596400 -21.8347 -7.98899 3.51829 -6.70113 12.4311 -17.1628 2.51011 -19.9509 -3.18673 TIMING: 2596400 CPU: 7534.5, 0.00296374/step Wall: 7534.5, 0.00296374/step, 1.97879 hours remaining, 205.621094 MB of memory in use. ENERGY: 2596400 757.2422 2129.4905 1976.3563 112.6349 -206151.1641 17549.0707 0.0000 0.0000 34389.2612 -149237.1082 300.3300 -183626.3694 -149139.2895 299.9887 -184.4055 -148.3532 558213.7453 -4.2390 -4.1967 PRESSURE: 2596600 29.7948 -35.755 -92.0093 -35.7555 -187.07 -86.6844 -92.0084 -86.684 -115.708 GPRESSURE: 2596600 2.4883 -63.1042 -191.978 70.6763 -78.7729 -59.7355 -52.132 -90.4169 -97.1181 PRESSAVG: 2596600 -13.5979 7.22573 10.9152 7.22575 -32.6345 -17.3081 10.9154 -17.3082 92.4356 GPRESSAVG: 2596600 -13.3672 6.60956 11.1463 6.69481 -31.702 -17.3575 11.8024 -16.2875 91.4392 TIMING: 2596600 CPU: 7535.08, 0.0029142/step Wall: 7535.08, 0.0029142/step, 1.94555 hours remaining, 205.824219 MB of memory in use. ENERGY: 2596600 712.1208 2052.9049 1965.2964 101.2697 -206369.3805 17914.0131 0.0000 0.0000 34283.9725 -149339.8030 299.4105 -183623.7756 -149238.1091 298.6969 -90.9944 -57.8009 558809.8244 15.4011 15.4567 PRESSURE: 2596800 -177.506 -108.912 -169.79 -108.913 -239.625 -131.896 -169.789 -131.895 -7.34329 GPRESSURE: 2596800 -142.91 -23.7051 -125.248 -130.76 -148.588 -138.474 -210.178 -106.875 -31.7735 PRESSAVG: 2596800 -47.632 4.01938 -17.8943 4.01938 -14.0772 -1.31983 -17.8944 -1.31979 67.665 GPRESSAVG: 2596800 -47.573 3.61365 -17.7732 3.17078 -15.6844 -2.41043 -21.1837 -1.26404 69.5867 TIMING: 2596800 CPU: 7535.66, 0.00290365/step Wall: 7535.66, 0.00290365/step, 1.93835 hours remaining, 205.824219 MB of memory in use. ENERGY: 2596800 729.3411 2107.1488 1986.7061 109.5536 -205995.0081 17474.3683 0.0000 0.0000 34161.7005 -149426.1896 298.3426 -183587.8901 -149334.0563 298.4792 -141.4914 -107.7572 557154.5709 1.9853 2.1098 PRESSURE: 2597000 44.9317 -41.5664 6.56341 -41.5656 65.393 -55.6138 6.5638 -55.6141 -167.651 GPRESSURE: 2597000 56.1426 -46.6407 17.1388 -84.5668 153.236 -50.1383 -89.0025 -116.294 -167.638 PRESSAVG: 2597000 -6.24423 -5.40226 -69.1815 -5.40218 -32.9863 -22.7015 -69.1814 -22.7016 15.5928 GPRESSAVG: 2597000 -6.85152 -3.61647 -72.0222 -6.79749 -30.8853 -23.5612 -65.7231 -21.9199 13.5041 TIMING: 2597000 CPU: 7536.24, 0.00289015/step Wall: 7536.24, 0.00289015/step, 1.92917 hours remaining, 205.824219 MB of memory in use. ENERGY: 2597000 758.9679 2100.6698 1983.2176 123.3313 -206311.9743 17891.6834 0.0000 0.0000 34054.7238 -149399.3805 297.4084 -183454.1043 -149308.6216 298.3549 -19.1087 13.9137 557356.1936 -7.8792 -8.0776 PRESSURE: 2597200 -19.1125 -65.124 71.7086 -65.1224 102.183 -38.4487 71.7085 -38.4494 -133.083 GPRESSURE: 2597200 10.2188 -71.5453 8.03916 -21.1188 159.991 -40.2673 224.127 -8.15948 -124.724 PRESSAVG: 2597200 27.3985 -24.7343 -12.3518 -24.7343 20.83 8.63713 -12.3517 8.63718 -58.5577 GPRESSAVG: 2597200 27.9117 -26.7372 -11.4884 -23.4383 18.6678 8.92576 -12.884 8.04428 -56.8439 TIMING: 2597200 CPU: 7536.82, 0.0028819/step Wall: 7536.82, 0.0028819/step, 1.92351 hours remaining, 205.824219 MB of memory in use. ENERGY: 2597200 721.8348 2067.1881 1977.7611 126.5190 -206172.9826 17858.6612 0.0000 0.0000 34078.6736 -149342.3448 297.6175 -183421.0185 -149246.5210 299.1679 -16.6709 15.1619 557438.8545 -3.4431 -3.4214 PRESSURE: 2597400 -138.875 28.3063 118.096 28.3078 -166.65 174.357 118.095 174.355 -206.746 GPRESSURE: 2597400 -117.709 -57.2632 29.3205 68.5202 -144.471 66.7364 187.378 261.982 -135.629 PRESSAVG: 2597400 22.8545 -67.7095 75.119 -67.7096 48.2225 -5.44406 75.1189 -5.44406 -20.1547 GPRESSAVG: 2597400 22.193 -65.9359 75.2163 -67.2674 49.5478 -5.39515 74.4952 -3.77042 -20.6381 TIMING: 2597400 CPU: 7537.4, 0.00289707/step Wall: 7537.4, 0.00289707/step, 1.93347 hours remaining, 205.824219 MB of memory in use. ENERGY: 2597400 777.0342 2140.6761 1964.7621 111.2783 -206155.1731 17644.8611 0.0000 0.0000 34111.9164 -149404.6449 297.9079 -183516.5613 -149309.3867 298.7539 -170.7568 -132.6030 556526.2816 16.9741 17.0342 PRESSURE: 2597600 -18.3623 -97.1345 -117.379 -97.1354 -162.768 125.793 -117.38 125.792 179.656 GPRESSURE: 2597600 -33.1094 -112.773 -94.3353 -95.8721 -91.3477 47.8496 -94.181 60.0218 211.9 PRESSAVG: 2597600 60.0694 3.42622 12.0688 3.4262 -28.8394 31.3778 12.0687 31.3777 -32.5635 GPRESSAVG: 2597600 59.9922 2.41691 10.9224 2.58148 -28.8184 32.8792 12.2932 30.1956 -33.4928 TIMING: 2597600 CPU: 7537.97, 0.0028819/step Wall: 7537.97, 0.00288189/step, 1.92318 hours remaining, 205.824219 MB of memory in use. ENERGY: 2597600 705.5720 2098.4116 1973.0027 116.1980 -206011.5423 17630.6568 0.0000 0.0000 34274.2420 -149213.4593 299.3255 -183487.7013 -149116.5148 299.6526 -0.4914 29.1476 557642.9021 -0.4445 -0.7730 PRESSURE: 2597800 138.929 -68.4396 -91.5004 -68.4402 -8.7568 -49.7213 -91.5012 -49.722 -345.19 GPRESSURE: 2597800 115.452 -66.5977 -142.078 -114.469 15.6136 -24.2226 -46.4132 -110.824 -240.909 PRESSAVG: 2597800 27.8492 11.9292 -39.467 11.9293 -18.7882 9.23761 -39.467 9.23761 -26.8352 GPRESSAVG: 2597800 28.0278 12.4479 -38.4292 11.0662 -20.2078 9.92923 -36.6814 8.82222 -25.552 TIMING: 2597800 CPU: 7538.55, 0.00289554/step Wall: 7538.55, 0.00289554/step, 1.93213 hours remaining, 205.949219 MB of memory in use. ENERGY: 2597800 779.8535 2066.5336 1961.5025 113.1053 -206083.0443 17817.2127 0.0000 0.0000 34190.5468 -149154.2899 298.5945 -183344.8368 -149056.6877 299.5096 -71.6727 -36.6142 558724.4804 -5.9247 -5.9106 PRESSURE: 2598000 -73.7889 -143.809 158.092 -143.807 -180.612 129.268 158.093 129.269 306.951 GPRESSURE: 2598000 -75.9065 -158.009 92.9548 -98.0685 -119.326 107.379 129.265 79.0838 323.836 PRESSAVG: 2598000 10.4205 27.6014 16.0782 27.6014 -36.9167 11.9816 16.0784 11.9817 47.2269 GPRESSAVG: 2598000 9.65967 28.1576 15.3187 30.1165 -36.2419 11.1979 14.8213 12.7169 47.3819 TIMING: 2598000 CPU: 7539.13, 0.00290913/step Wall: 7539.13, 0.00290913/step, 1.94104 hours remaining, 205.949219 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: 2598000 754.9649 2144.4307 1972.2404 110.1171 -206448.4243 17875.0551 0.0000 0.0000 34371.4762 -149220.1399 300.1747 -183591.6161 -149120.3874 298.9982 17.5167 42.8677 558655.4147 6.9102 6.9332 PRESSURE: 2598200 140.298 2.01443 48.3806 2.01428 59.6586 -195.775 48.3805 -195.774 356.141 GPRESSURE: 2598200 175.783 86.8907 78.1701 14.9209 95.5633 -147.461 9.70784 -318.779 379.692 PRESSAVG: 2598200 3.67878 -11.8542 10.0078 -11.8542 -20.9548 3.65569 10.0078 3.65574 -15.1663 GPRESSAVG: 2598200 4.67698 -14.626 10.6832 -11.5209 -20.9099 3.63654 8.93085 3.42288 -16.0449 TIMING: 2598200 CPU: 7539.71, 0.00289169/step Wall: 7539.71, 0.00289169/step, 1.92924 hours remaining, 205.949219 MB of memory in use. ENERGY: 2598200 758.2864 2165.6920 1959.9084 111.3816 -206799.9618 18325.2534 0.0000 0.0000 34443.6957 -149035.7443 300.8054 -183479.4400 -148947.5270 299.3266 185.3658 217.0128 558701.2806 -10.8141 -10.7593 PRESSURE: 2598400 -204.779 -29.0607 182.868 -29.0595 -53.879 156.189 182.869 156.19 7.01341 GPRESSURE: 2598400 -175.507 -25.2465 88.6989 -1.54891 20.454 163.93 210.92 112.53 -3.41256 PRESSAVG: 2598400 -27.3611 -16.0786 3.07781 -16.0786 9.78429 -20.034 3.07765 -20.0341 43.1989 GPRESSAVG: 2598400 -26.8514 -13.0648 3.66011 -18.0402 9.42894 -21.1678 1.82601 -20.5199 43.5607 TIMING: 2598400 CPU: 7540.29, 0.00288569/step Wall: 7540.29, 0.00288569/step, 1.92508 hours remaining, 205.949219 MB of memory in use. ENERGY: 2598400 763.9448 2142.8219 1983.5132 113.9099 -205711.1346 17522.7801 0.0000 0.0000 34236.0713 -148948.0933 298.9921 -183184.1646 -148845.4146 299.3141 -83.8814 -52.8220 559967.3445 8.5407 8.7127 PRESSURE: 2598600 -11.6715 79.3183 34.2788 79.3187 102.638 -23.8823 34.2787 -23.884 -66.6986 GPRESSURE: 2598600 49.0122 55.5083 -71.4158 38.4311 106.35 -8.97448 -3.66571 -65.9014 -52.0561 PRESSAVG: 2598600 7.98239 24.1144 -5.86862 24.1144 -54.5709 19.4202 -5.86855 19.4202 68.2918 GPRESSAVG: 2598600 7.0915 21.4836 -3.80681 26.4144 -53.7969 20.2226 -5.5943 20.0924 68.4873 TIMING: 2598600 CPU: 7540.86, 0.00287907/step Wall: 7540.86, 0.00287907/step, 1.9205 hours remaining, 205.949219 MB of memory in use. ENERGY: 2598600 752.3040 2133.7616 1950.8366 118.8232 -205947.2459 17782.7563 0.0000 0.0000 34264.6052 -148944.1591 299.2413 -183208.7643 -148852.9951 299.5963 8.0892 34.4355 557886.5456 7.2344 7.2606 PRESSURE: 2598800 249.296 1.40954 37.935 1.40841 12.1849 -49.4626 37.9347 -49.461 -248.402 GPRESSURE: 2598800 305.713 36.3027 38.2233 40.9671 45.1386 -85.0108 38.3868 -70.8393 -241.69 PRESSAVG: 2598800 39.0553 37.6088 24.0127 37.6088 24.6541 -76.9467 24.0128 -76.9467 -58.9738 GPRESSAVG: 2598800 41.1257 41.7974 23.579 33.1043 24.4765 -77.9043 24.4466 -77.5122 -60.605 TIMING: 2598800 CPU: 7541.44, 0.00289284/step Wall: 7541.44, 0.00289284/step, 1.92952 hours remaining, 205.949219 MB of memory in use. ENERGY: 2598800 720.7883 2096.2186 1981.3742 136.9805 -205912.4953 17822.5887 0.0000 0.0000 34282.6528 -148871.8921 299.3989 -183154.5449 -148773.3783 299.6784 4.3598 36.3873 558233.1957 1.5785 1.6657 PRESSURE: 2599000 119.962 8.54259 19.6469 8.54301 -138.869 -55.6293 19.6461 -55.6302 -221.951 GPRESSURE: 2599000 117.029 -27.0945 34.8914 -57.4627 -85.0469 -68.9363 -55.0748 -73.7743 -165.297 PRESSAVG: 2599000 12.7581 -29.0726 -3.94511 -29.0726 -67.0801 -78.8138 -3.94512 -78.8138 -1.55873 GPRESSAVG: 2599000 10.0642 -32.4712 -4.93354 -27.4213 -66.6717 -76.3362 -4.01604 -78.6495 0.884687 TIMING: 2599000 CPU: 7542.03, 0.00291646/step Wall: 7542.03, 0.00291646/step, 1.94512 hours remaining, 206.191406 MB of memory in use. ENERGY: 2599000 771.1011 2119.2853 1974.6946 110.9051 -205705.9055 17587.5999 0.0000 0.0000 34318.1224 -148824.1971 299.7087 -183142.3196 -148729.3635 299.5340 -80.2859 -44.4383 558626.5049 -18.6269 -18.5743 PRESSURE: 2599200 -140.405 112.256 152.843 112.257 -98.3829 -116.757 152.845 -116.756 -130.563 GPRESSURE: 2599200 -95.1386 220.826 104.32 53.8582 -77.2324 -76.2804 222.102 -78.1921 -94.219 PRESSAVG: 2599200 52.5233 46.8845 62.2016 46.8845 5.83506 -30.0888 62.2016 -30.0889 -63.3243 GPRESSAVG: 2599200 52.5672 45.376 62.2012 49.657 5.80981 -30.2044 64.2866 -28.5621 -63.3252 TIMING: 2599200 CPU: 7542.61, 0.00291769/step Wall: 7542.61, 0.00291769/step, 1.94577 hours remaining, 206.191406 MB of memory in use. ENERGY: 2599200 773.3528 2135.6062 1980.6050 109.2173 -206085.0091 17700.0613 0.0000 0.0000 34355.5368 -149030.6297 300.0354 -183386.1665 -148939.1099 299.6724 -123.1171 -88.8633 557027.2641 -1.6553 -1.6494 PRESSURE: 2599400 -201.556 -19.6114 44.8838 -19.6101 -367.815 -90.0975 44.8829 -90.0977 -269.068 GPRESSURE: 2599400 -113.248 -100.685 -86.1596 36.282 -359.921 -77.1621 130.657 -79.541 -264.25 PRESSAVG: 2599400 60.1097 57.0557 10.9376 57.0556 24.9795 -1.71127 10.9376 -1.71125 -22.9847 GPRESSAVG: 2599400 60.9515 58.2208 8.67978 55.1633 24.917 -3.03262 9.64685 -2.80313 -23.5958 TIMING: 2599400 CPU: 7543.19, 0.0029024/step Wall: 7543.19, 0.0029024/step, 1.93541 hours remaining, 206.191406 MB of memory in use. ENERGY: 2599400 734.0878 2113.5271 1995.4354 127.6694 -205693.3503 17398.8997 0.0000 0.0000 34167.6413 -149156.0898 298.3945 -183323.7310 -149052.3875 299.8182 -279.4795 -245.8064 558917.2710 20.7015 20.7576 PRESSURE: 2599600 -109.43 133.098 27.5234 133.099 -46.0362 36.9583 27.5234 36.9578 -103.311 GPRESSURE: 2599600 -58.3961 223.205 0.443668 102.132 -15.4605 -23.2433 4.89375 163.316 -86.2415 PRESSAVG: 2599600 -6.42402 -13.8757 -28.7343 -13.8758 4.22618 22.0044 -28.7342 22.0043 -15.359 GPRESSAVG: 2599600 -6.71606 -15.5013 -25.0898 -13.0663 3.88391 19.827 -30.8281 23.0134 -15.2613 TIMING: 2599600 CPU: 7543.77, 0.00291715/step Wall: 7543.77, 0.00291715/step, 1.94509 hours remaining, 206.191406 MB of memory in use. ENERGY: 2599600 746.1947 2051.7816 2009.2766 123.7432 -206250.8916 17700.5613 0.0000 0.0000 34462.9345 -149156.3996 300.9734 -183619.3341 -149054.4980 298.6951 -86.2592 -53.3660 556715.2936 -5.8523 -6.0312 PRESSURE: 2599800 271.268 -89.2619 -23.325 -89.2628 138.172 -81.3294 -23.3254 -81.3292 154.173 GPRESSURE: 2599800 319.85 -79.9493 -41.7932 -103.872 155.634 -61.8888 -28.1007 -7.3475 195.161 PRESSAVG: 2599800 -25.9213 -9.6026 -7.83119 -9.60268 22.9489 -34.4074 -7.83122 -34.4074 -14.2122 GPRESSAVG: 2599800 -24.4699 -9.02257 -5.82563 -10.0493 22.4307 -31.6325 -7.3635 -36.69 -14.3346 TIMING: 2599800 CPU: 7544.35, 0.00289429/step Wall: 7544.35, 0.00289429/step, 1.92969 hours remaining, 206.191406 MB of memory in use. ENERGY: 2599800 751.6522 2098.4863 1955.7405 118.2258 -206545.5442 18180.5363 0.0000 0.0000 34100.5178 -149340.3854 297.8083 -183440.9032 -149246.1171 299.0380 187.8709 223.5484 557254.3555 -5.7282 -5.4579 PRESSURE: 2600000 39.1982 -47.8301 29.1506 -47.8283 162.284 -28.3524 29.1503 -28.3522 -55.5106 GPRESSURE: 2600000 67.671 -121.252 -22.1758 -48.781 139.307 2.7686 59.8177 2.68054 24.0169 PRESSAVG: 2600000 64.672 -55.1164 25.3028 -55.1164 -1.41752 -24.4051 25.3028 -24.4051 -5.2366 GPRESSAVG: 2600000 62.8001 -54.6431 22.6968 -56.2773 -0.291817 -26.9346 28.3383 -20.5637 -5.40426 TIMING: 2600000 CPU: 7544.93, 0.00290819/step Wall: 7544.93, 0.00290819/step, 1.93879 hours remaining, 206.191406 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: 2600000 741.8208 2111.1524 1961.7037 113.6373 -205890.5554 17717.5317 0.0000 0.0000 34037.5871 -149207.1224 297.2587 -183244.7096 -149118.1422 298.9696 48.6573 76.9984 558079.8611 19.3393 19.0347 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.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 -143.513 139.353 53.0391 139.354 -271.938 -33.0299 53.0393 -33.028 -96.6157 GPRESSURE: 2600200 -99.2801 188.592 19.6666 138.54 -246.007 -114.989 129.601 -1.58858 -84.2114 PRESSAVG: 2600200 4.77785 -2.52555 58.3601 -2.52559 -29.9386 -24.7442 58.3601 -24.7443 39.7984 GPRESSAVG: 2600200 4.86588 -3.05991 58.3748 -1.27098 -29.9641 -21.8894 56.0403 -27.8886 39.6119 TIMING: 2600200 CPU: 7545.58, 0.00321043/step Wall: 7545.58, 0.00321043/step, 2.14011 hours remaining, 206.316406 MB of memory in use. ENERGY: 2600200 780.1687 2098.0611 1951.1121 105.1031 -205638.0815 17406.5557 0.0000 0.0000 34266.8371 -149030.2437 299.2608 -183297.0807 -148930.5460 299.8782 -170.6888 -143.1662 557787.3247 4.8792 4.8379 LDB: ============= START OF LOAD BALANCING ============== 7549.05 LDB: ============== END OF LOAD BALANCING =============== 7549.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7549.05 LDB: ============= START OF LOAD BALANCING ============== 7549.34 LDB: Largest compute 4821 load 0.032460 is 27.6% of average load 0.117816 LDB: Average compute 0.001717 is 1.5% of average load 0.117816 LDB: TIME 7549.34 LOAD: AVG 0.117816 MAX 0.178038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 7549.34 LOAD: AVG 0.117816 MAX 0.178038 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 7549.34 LOAD: AVG 0.117816 MAX 0.178038 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: ============== END OF LOAD BALANCING =============== 7549.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7549.35 PRESSURE: 2600400 -117.614 -78.494 -109.465 -78.4936 196.436 107.433 -109.464 107.435 9.01131 GPRESSURE: 2600400 -50.9666 -107.039 -196.107 -58.6068 208.107 91.5046 -84.3432 73.3944 22.8756 PRESSAVG: 2600400 26.1831 -31.6711 -35.4468 -31.6711 -38.4499 -5.63214 -35.4469 -5.6321 -0.426084 GPRESSAVG: 2600400 27.7975 -31.773 -34.7139 -31.8402 -39.3583 -6.49245 -35.3885 -4.51284 -1.27568 TIMING: 2600400 CPU: 7546.17, 0.00298508/step Wall: 7546.17, 0.00298507/step, 1.98972 hours remaining, 206.660156 MB of memory in use. ENERGY: 2600400 736.0694 2121.7929 1958.1501 112.1040 -206482.2498 17893.7503 0.0000 0.0000 34546.3682 -149114.0150 301.7020 -183660.3831 -149005.8063 299.6048 29.2777 60.0054 556940.3276 -4.2310 -4.2788 PRESSURE: 2600600 -36.8002 217.229 -35.8686 217.23 55.1783 141.794 -35.869 141.794 102.094 GPRESSURE: 2600600 -8.39767 237.275 81.6781 225.434 33.768 85.1436 -158.765 116.627 190.373 PRESSAVG: 2600600 25.658 47.5368 -1.86605 47.5367 -30.9744 -10.3745 -1.86601 -10.3745 41.9861 GPRESSAVG: 2600600 23.6605 48.4769 -1.55123 45.6108 -30.4903 -10.0528 -1.31087 -10.8321 43.4306 TIMING: 2600600 CPU: 7546.76, 0.00291239/step Wall: 7546.76, 0.00291239/step, 1.94111 hours remaining, 206.933594 MB of memory in use. ENERGY: 2600600 718.2921 2113.9048 1958.1955 111.7862 -206273.7123 17789.9267 0.0000 0.0000 34456.2495 -149125.3576 300.9150 -183581.6071 -149024.4379 299.1473 40.1575 71.9144 557092.0491 12.2233 12.2003 PRESSURE: 2600800 87.16 141.564 -10.5774 141.563 -17.7063 20.4167 -10.5764 20.4171 -406.546 GPRESSURE: 2600800 104.318 175.134 -13.3499 181.985 10.572 133.35 -3.32909 43.8811 -357.09 PRESSAVG: 2600800 -39.5464 25.7161 23.5305 25.7161 46.9974 -43.6724 23.5305 -43.6724 38.5563 GPRESSAVG: 2600800 -38.7059 25.3359 22.8689 28.6235 47.4502 -43.5105 22.9693 -45.3615 37.6136 TIMING: 2600800 CPU: 7547.34, 0.00290914/step Wall: 7547.34, 0.00290914/step, 1.93878 hours remaining, 206.933594 MB of memory in use. ENERGY: 2600800 737.4311 2145.3997 1964.9011 123.9101 -206258.1550 17767.9126 0.0000 0.0000 34434.3894 -149084.2109 300.7241 -183518.6002 -148984.5512 300.4643 -112.3639 -80.7334 557003.7973 15.3358 15.4526 PRESSURE: 2601000 133.233 150.855 168.052 150.855 184.069 45.802 168.053 45.8049 6.1204 GPRESSURE: 2601000 150.057 81.9159 121.789 108.619 193.098 107.843 143.488 100.175 74.9471 PRESSAVG: 2601000 25.28 41.9906 34.3143 41.9906 -16.4111 18.3911 34.3144 18.3912 -50.2446 GPRESSAVG: 2601000 24.4544 39.4009 34.2828 41.421 -16.2227 18.6869 34.8075 20.2772 -49.5003 TIMING: 2601000 CPU: 7547.92, 0.00290945/step Wall: 7547.92, 0.00290945/step, 1.93883 hours remaining, 206.933594 MB of memory in use. ENERGY: 2601000 759.8259 2151.2839 1979.2394 121.5890 -206643.4705 17988.2872 0.0000 0.0000 34407.9208 -149235.3243 300.4929 -183643.2451 -149141.4164 299.4871 107.8074 139.3673 557293.1859 -13.7919 -13.7562 PRESSURE: 2601200 -153.722 -118.705 55.1604 -118.704 103.812 -105.798 55.1611 -105.799 -155.078 GPRESSURE: 2601200 -88.3181 -50.2639 -11.8623 -147.266 104.839 -133.588 49.2947 -74.1062 -128.185 PRESSAVG: 2601200 65.5199 -19.0488 53.2609 -19.0487 43.3779 -37.8226 53.2608 -37.8226 -131.433 GPRESSAVG: 2601200 65.0917 -16.9313 50.0853 -17.851 43.6378 -37.8622 56.902 -37.787 -130.996 TIMING: 2601200 CPU: 7548.5, 0.0028961/step Wall: 7548.5, 0.0028961/step, 1.92977 hours remaining, 206.933594 MB of memory in use. ENERGY: 2601200 777.7398 2115.9512 1985.0487 107.9688 -206544.8750 17833.0301 0.0000 0.0000 34204.0776 -149521.0588 298.7127 -183725.1364 -149430.5039 298.7270 -68.3292 -37.2213 557153.6493 -7.5117 -7.4223 PRESSURE: 2601400 -109.534 92.6649 -6.49524 92.6648 158.844 160.77 -6.49618 160.77 -16.7262 GPRESSURE: 2601400 -88.0099 52.7581 -62.4793 76.4334 262.751 168.763 -37.7807 181.129 -46.8227 PRESSAVG: 2601400 47.1462 -43.3544 31.2232 -43.3544 49.0139 -18.4209 31.2232 -18.4209 -64.7926 GPRESSAVG: 2601400 46.4594 -43.27 33.4929 -44.0966 48.7354 -18.9156 29.3035 -19.5725 -64.4777 TIMING: 2601400 CPU: 7549.08, 0.00289875/step Wall: 7549.08, 0.00289875/step, 1.93137 hours remaining, 207.136719 MB of memory in use. ENERGY: 2601400 754.6928 2099.9557 1991.0455 121.3801 -206456.3982 17921.0927 0.0000 0.0000 34285.2208 -149283.0106 299.4214 -183568.2315 -149182.2353 297.9883 10.8612 42.6394 556845.2582 10.4558 10.2390 PRESSURE: 2601600 95.678 14.1415 -100.337 14.1417 72.6671 36.0523 -100.338 36.0514 40.5117 GPRESSURE: 2601600 83.3983 36.8544 -91.1239 -55.4787 133.889 12.3094 -133.663 100.932 69.545 PRESSAVG: 2601600 -42.5267 35.6908 2.71175 35.6907 21.2991 -44.6633 2.71182 -44.6635 -35.4551 GPRESSAVG: 2601600 -42.2529 36.7059 5.36902 35.5602 21.0298 -44.1406 0.622124 -44.402 -35.6527 TIMING: 2601600 CPU: 7549.66, 0.00289361/step Wall: 7549.66, 0.00289361/step, 1.92779 hours remaining, 207.136719 MB of memory in use. ENERGY: 2601600 746.9929 2049.5650 1974.9379 116.3125 -206090.2287 17849.1456 0.0000 0.0000 34231.3639 -149121.9110 298.9510 -183353.2748 -149026.0974 298.8939 69.6189 95.6109 557542.9448 -18.8942 -18.9586 PRESSURE: 2601800 -115.736 96.3033 43.844 96.3031 109.636 -94.3961 43.8446 -94.3951 2.54003 GPRESSURE: 2601800 -50.8967 23.8973 -35.4272 67.0165 93.2887 -96.0623 81.6809 -117.71 49.3358 PRESSAVG: 2601800 -85.4271 -56.6235 -7.6026 -56.6234 105.499 13.8433 -7.60262 13.8433 -27.793 GPRESSAVG: 2601800 -83.9426 -59.1909 -11.1402 -56.4906 105.079 15.8514 -3.71881 13.6171 -28.7216 TIMING: 2601800 CPU: 7550.24, 0.00290191/step Wall: 7550.24, 0.00290191/step, 1.93315 hours remaining, 207.136719 MB of memory in use. ENERGY: 2601800 729.0909 2097.5413 1955.4182 108.5806 -205827.6968 17709.6682 0.0000 0.0000 34287.2697 -148940.1278 299.4393 -183227.3976 -148831.9829 300.0919 -1.1869 30.5759 556220.7706 -2.5737 -2.5285 PRESSURE: 2602000 -158.256 64.1093 61.5314 64.1075 43.2464 -34.1106 61.5317 -34.1105 -127.662 GPRESSURE: 2602000 -112.142 133.144 -35.7806 114.217 127.611 -115.747 97.8932 9.19228 -167.621 PRESSAVG: 2602000 -18.3807 -49.9133 -44.5413 -49.9133 15.6302 15.536 -44.5414 15.5358 -11.7069 GPRESSAVG: 2602000 -19.1339 -46.4142 -43.3821 -49.7902 16.7862 13.5475 -46.1711 16.7918 -12.5158 TIMING: 2602000 CPU: 7550.82, 0.00290964/step Wall: 7550.82, 0.00290964/step, 1.93814 hours remaining, 207.136719 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: 2602000 690.0041 2111.7985 1979.5365 112.8961 -205817.5606 17499.3044 0.0000 0.0000 34318.2189 -149105.8020 299.7095 -183424.0210 -149005.1329 299.7340 -80.8907 -50.7174 556594.3580 -4.8191 -4.9545 PRESSURE: 2602200 -77.9216 -79.9584 98.6902 -79.9594 -43.6673 185.71 98.6894 185.71 -80.7063 GPRESSURE: 2602200 -111.642 13.1243 50.1718 -125.318 37.602 214.549 39.733 127.603 -37.217 PRESSAVG: 2602200 -10.8684 -15.1095 -2.58617 -15.1097 31.1057 1.35916 -2.58628 1.35923 6.61621 GPRESSAVG: 2602200 -10.3351 -18.0477 -3.62553 -14.0614 29.9364 1.95111 -3.89661 1.94481 7.42363 TIMING: 2602200 CPU: 7551.4, 0.00287894/step Wall: 7551.4, 0.00287894/step, 1.91754 hours remaining, 207.136719 MB of memory in use. ENERGY: 2602200 736.4166 2127.2690 1945.2974 107.0492 -205890.5327 17561.6953 0.0000 0.0000 34274.5352 -149138.2701 299.3280 -183412.8053 -149044.0394 299.5863 -67.4318 -37.0855 556044.3478 8.9512 9.0083 PRESSURE: 2602400 -30.7555 39.8614 -44.9098 39.8602 64.5591 119.804 -44.9097 119.804 14.5417 GPRESSURE: 2602400 1.43926 12.5493 -142.885 22.4198 90.6468 61.6186 5.64926 115.229 52.2867 PRESSAVG: 2602400 -18.6445 2.18724 24.4436 2.1872 23.9332 2.84509 24.4438 2.84499 26.4587 GPRESSAVG: 2602400 -18.9506 2.46832 25.297 1.73368 24.2753 4.63386 27.6377 1.23687 26.6606 TIMING: 2602400 CPU: 7551.97, 0.00288564/step Wall: 7551.97, 0.00288564/step, 1.92184 hours remaining, 207.136719 MB of memory in use. ENERGY: 2602400 771.1913 2098.5510 1954.6155 118.4615 -206387.4973 17946.6612 0.0000 0.0000 34526.3042 -148971.7127 301.5268 -183498.0168 -148874.5456 299.4783 16.1151 48.1243 555844.2253 10.5825 10.6618 PRESSURE: 2602600 -327.33 82.2835 14.3673 82.2838 -88.399 177.939 14.3663 177.938 208.641 GPRESSURE: 2602600 -259.618 61.5045 -30.9962 155.252 -71.5874 71.7818 65.783 282.489 212.828 PRESSAVG: 2602600 21.8352 39.2763 8.53078 39.2762 -29.7974 13.5609 8.53078 13.5608 25.7758 GPRESSAVG: 2602600 23.4334 41.0745 10.5712 38.3169 -31.0758 12.4717 6.26565 14.4245 25.2205 TIMING: 2602600 CPU: 7552.55, 0.00288068/step Wall: 7552.55, 0.00288068/step, 1.91837 hours remaining, 207.136719 MB of memory in use. ENERGY: 2602600 744.3674 2076.6300 1937.8771 115.8760 -205960.5066 17641.1135 0.0000 0.0000 34268.3152 -149176.3273 299.2737 -183444.6425 -149084.5315 299.2844 -69.0292 -39.4592 558041.5599 5.9379 5.8594 PRESSURE: 2602800 -131.552 34.8715 63.9035 34.8712 -562.771 34.5452 63.9046 34.5421 -99.4953 GPRESSURE: 2602800 -115.116 59.5479 6.90531 22.4991 -528.17 -40.0161 25.4538 50.7395 -55.9499 PRESSAVG: 2602800 -39.8594 -11.5447 -12.3641 -11.5446 0.274663 6.07418 -12.3641 6.07411 11.6671 GPRESSAVG: 2602800 -40.8958 -13.6649 -14.6646 -8.80825 0.651347 4.27719 -11.3691 7.90374 12.4978 TIMING: 2602800 CPU: 7553.12, 0.00287921/step Wall: 7553.12, 0.00287921/step, 1.91723 hours remaining, 207.136719 MB of memory in use. ENERGY: 2602800 725.9984 2057.9457 2007.3966 125.3303 -205986.6636 17581.8120 0.0000 0.0000 34298.6030 -149189.5775 299.5382 -183488.1805 -149087.8091 298.8171 -264.6063 -233.0788 558823.6599 -9.3059 -9.2489 PRESSURE: 2603000 -78.2896 15.3818 55.9854 15.3818 92.6185 44.1399 55.9844 44.1395 -93.4749 GPRESSURE: 2603000 -17.2806 85.9447 66.9423 -19.4528 108.174 70.2407 131.872 10.7625 -75.7278 PRESSAVG: 2603000 11.6854 26.6913 -18.0955 26.6912 4.83568 9.15847 -18.0955 9.1585 34.2096 GPRESSAVG: 2603000 10.4141 27.2623 -16.9969 26.4528 5.96004 9.97516 -18.6187 7.34788 34.1931 TIMING: 2603000 CPU: 7553.7, 0.00290383/step Wall: 7553.7, 0.00290383/step, 1.93346 hours remaining, 207.136719 MB of memory in use. ENERGY: 2603000 713.6534 2138.1575 1990.5648 107.4202 -206148.3039 17736.5109 0.0000 0.0000 34341.0410 -149120.9561 299.9089 -183461.9971 -149027.5690 299.2827 -26.3820 5.0551 558157.9580 16.9102 16.8558 PRESSURE: 2603200 76.6217 -134.879 -23.3129 -134.877 -149.485 78.5639 -23.3111 78.564 170.697 GPRESSURE: 2603200 72.4381 -95.1551 34.6413 -46.0201 -65.0985 71.1749 -69.352 115.381 184.127 PRESSAVG: 2603200 34.7003 -3.79569 73.2777 -3.7957 -2.15852 -13.379 73.2777 -13.3789 -8.23585 GPRESSAVG: 2603200 35.5402 -2.34916 74.1809 -4.4969 -3.56023 -12.2104 71.7074 -13.5849 -6.76994 TIMING: 2603200 CPU: 7554.29, 0.00292326/step Wall: 7554.29, 0.00292326/step, 1.94624 hours remaining, 207.136719 MB of memory in use. ENERGY: 2603200 716.2568 2119.7429 1958.1013 123.8254 -206057.5762 17824.5831 0.0000 0.0000 34260.2966 -149054.7700 299.2037 -183315.0666 -148961.5872 299.2214 32.6114 63.8224 557490.5276 8.1020 8.4033 PRESSURE: 2603400 -211.64 167.77 -96.9493 167.771 -88.533 24.4006 -96.9493 24.4013 -199.819 GPRESSURE: 2603400 -170.192 81.7862 -162.642 191.105 -80.5609 -34.4862 -34.9313 71.3141 -146.454 PRESSAVG: 2603400 14.2981 -27.0419 -43.0085 -27.0418 8.55845 -25.3817 -43.0085 -25.3816 -3.99222 GPRESSAVG: 2603400 14.0395 -27.2487 -44.3273 -29.6048 9.87919 -26.1965 -40.8367 -25.2459 -4.65712 TIMING: 2603400 CPU: 7554.87, 0.00291517/step Wall: 7554.87, 0.00291517/step, 1.94069 hours remaining, 207.136719 MB of memory in use. ENERGY: 2603400 739.6232 2142.6894 1951.7895 114.5144 -206014.7240 17623.4190 0.0000 0.0000 34321.4641 -149121.2242 299.7379 -183442.6884 -149027.1367 299.4792 -166.6638 -132.4021 558406.2285 6.2881 6.4205 PRESSURE: 2603600 -172.81 69.3541 -14.044 69.3553 191.912 -74.4256 -14.0436 -74.425 114.499 GPRESSURE: 2603600 -83.0866 10.996 45.5486 120.724 237.454 -88.8041 -56.542 -113.691 82.6763 PRESSAVG: 2603600 6.35098 31.8592 23.2911 31.8592 -69.6029 12.394 23.2911 12.3938 51.6869 GPRESSAVG: 2603600 8.77315 32.587 24.3385 30.7184 -71.6426 12.1981 21.5944 12.5946 50.87 TIMING: 2603600 CPU: 7555.45, 0.00290324/step Wall: 7555.45, 0.00290324/step, 1.93259 hours remaining, 207.136719 MB of memory in use. ENERGY: 2603600 737.7267 2104.7043 1968.4845 108.1155 -206123.8646 17918.9921 0.0000 0.0000 34253.5320 -149032.3095 299.1446 -183285.8415 -148939.0528 299.2010 44.5337 79.0144 557788.9672 -3.8550 -3.9998 PRESSURE: 2603800 -54.2474 19.1228 -44.6388 19.1236 -92.0664 14.9524 -44.6372 14.9524 -241.736 GPRESSURE: 2603800 -40.7062 -35.4098 -31.3294 -76.1018 -33.3095 32.027 -68.3217 8.02263 -227.686 PRESSAVG: 2603800 -63.5592 39.9734 -23.7697 39.9735 22.2968 -3.58881 -23.7697 -3.58895 5.97649 GPRESSAVG: 2603800 -64.9422 40.1642 -22.5583 42.0238 23.9695 -2.27468 -21.9885 -3.64425 5.90519 TIMING: 2603800 CPU: 7556.03, 0.00290277/step Wall: 7556.03, 0.00290277/step, 1.93212 hours remaining, 207.136719 MB of memory in use. ENERGY: 2603800 731.4679 2123.9768 1982.0671 115.6825 -206065.1548 17660.9703 0.0000 0.0000 34159.2773 -149291.7129 298.3215 -183450.9902 -149189.8101 299.2239 -129.3499 -100.5671 559012.6756 -11.7620 -11.6892 PRESSURE: 2604000 67.4965 23.9782 7.17036 23.9799 327.553 4.16518 7.17112 4.1659 109.444 GPRESSURE: 2604000 64.8862 31.6073 19.6582 37.0853 408.483 93.4187 20.8268 -31.7875 131.973 PRESSAVG: 2604000 1.21757 35.2371 -46.5613 35.2372 -16.0803 2.6011 -46.5613 2.60097 12.643 GPRESSAVG: 2604000 0.963273 32.4345 -46.8229 37.3652 -16.9295 2.07713 -47.935 2.35006 14.0765 TIMING: 2604000 CPU: 7556.61, 0.00289002/step Wall: 7556.61, 0.00289002/step, 1.92347 hours remaining, 207.136719 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: 2604000 728.9237 2105.3742 1988.2884 118.4100 -206706.5096 18133.5819 0.0000 0.0000 34400.5034 -149231.4280 300.4282 -183631.9314 -149134.4094 299.4991 168.1645 201.7805 557087.7965 -0.7399 -0.6299 PRESSURE: 2604200 -47.4646 -67.7317 -57.0261 -67.7326 50.3812 -79.145 -57.0251 -79.1469 136.056 GPRESSURE: 2604200 -3.47594 -92.1512 -55.1747 -103.813 73.378 -123.316 -40.0794 -39.8086 167.163 PRESSAVG: 2604200 -9.86663 -20.2842 -44.7211 -20.2841 4.57675 -3.54008 -44.7211 -3.53992 2.5171 GPRESSAVG: 2604200 -10.169 -20.1247 -45.3405 -22.0014 5.19589 -3.74158 -44.0776 -2.5991 1.53909 TIMING: 2604200 CPU: 7557.2, 0.00293289/step Wall: 7557.2, 0.00293289/step, 1.95184 hours remaining, 207.136719 MB of memory in use. ENERGY: 2604200 769.1309 2090.4180 1966.1546 118.7723 -206255.4347 18014.3980 0.0000 0.0000 34221.0098 -149075.5511 298.8606 -183296.5609 -148979.9958 299.6553 46.3241 79.0219 557699.0782 -0.9243 -1.1447 LDB: ============= START OF LOAD BALANCING ============== 7560.66 LDB: ============== END OF LOAD BALANCING =============== 7560.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7560.67 LDB: ============= START OF LOAD BALANCING ============== 7560.96 LDB: Largest compute 4821 load 0.032872 is 27.9% of average load 0.117802 LDB: Average compute 0.001711 is 1.5% of average load 0.117802 LDB: TIME 7560.96 LOAD: AVG 0.117802 MAX 0.17669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 7560.96 LOAD: AVG 0.117802 MAX 0.17669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: TIME 7560.96 LOAD: AVG 0.117802 MAX 0.17669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7560.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7560.97 PRESSURE: 2604400 -64.6411 -61.8202 95.4253 -61.8198 -33.4027 129.226 95.425 129.226 -79.5484 GPRESSURE: 2604400 -40.2473 -69.7205 43.2962 -61.2463 -4.73283 196.651 103.09 100.428 -43.7679 PRESSAVG: 2604400 15.0795 -9.1769 -9.66638 -9.17683 -25.1081 -1.03601 -9.66638 -1.03599 -21.57 GPRESSAVG: 2604400 15.0381 -6.60389 -12.2849 -9.2437 -25.739 -1.07551 -8.7191 -0.792297 -20.6309 TIMING: 2604400 CPU: 7557.79, 0.00296772/step Wall: 7557.79, 0.00296772/step, 1.97486 hours remaining, 207.484375 MB of memory in use. ENERGY: 2604400 731.5734 2084.3736 1956.9627 116.5685 -206125.7243 17572.9281 0.0000 0.0000 34546.1866 -149117.1314 301.7004 -183663.3180 -149014.6839 299.7741 -59.1974 -29.5827 557013.0828 -10.5329 -10.4439 PRESSURE: 2604600 -13.8724 -23.4061 -126.664 -23.4057 170.016 131.913 -126.664 131.915 254.309 GPRESSURE: 2604600 4.38923 -24.2106 -50.735 -79.3984 180.006 82.1321 -110.201 222.645 310.591 PRESSAVG: 2604600 -21.5444 -37.5497 -32.7478 -37.5498 -16.901 -25.8834 -32.7477 -25.8833 25.5698 GPRESSAVG: 2604600 -21.5581 -38.2791 -32.5572 -37.9891 -16.18 -26.4879 -33.2095 -26.296 25.1704 TIMING: 2604600 CPU: 7558.37, 0.00290454/step Wall: 7558.37, 0.00290454/step, 1.93265 hours remaining, 207.484375 MB of memory in use. ENERGY: 2604600 748.0624 2102.9062 1955.0053 134.8362 -206497.2024 18260.1891 0.0000 0.0000 34378.9412 -148917.2620 300.2398 -183296.2031 -148824.5646 299.7527 136.8174 164.9954 557165.0365 -4.2919 -4.1892 PRESSURE: 2604800 42.1633 -120.326 -133.194 -120.325 197.605 26.5649 -133.195 26.5644 65.7537 GPRESSURE: 2604800 145.553 -228.899 -73.3538 -95.8508 204.82 11.5897 -69.7555 90.9685 51.126 PRESSAVG: 2604800 -13.0811 -18.7073 -54.7436 -18.7073 27.5484 5.75526 -54.7436 5.75535 -7.04292 GPRESSAVG: 2604800 -13.1348 -18.4062 -52.026 -18.2118 27.0202 6.36268 -56.3285 5.99247 -6.63137 TIMING: 2604800 CPU: 7558.96, 0.0029177/step Wall: 7558.96, 0.0029177/step, 1.94124 hours remaining, 207.484375 MB of memory in use. ENERGY: 2604800 714.4226 2127.9748 1978.8741 106.9026 -206447.8990 17965.8988 0.0000 0.0000 34658.1229 -148895.7033 302.6780 -183553.8262 -148794.1558 300.0775 101.8405 133.8331 558224.5248 2.4748 2.4180 PRESSURE: 2605000 227.35 36.1382 -52.2921 36.1374 153.235 -80.2469 -52.2921 -80.2454 -306.711 GPRESSURE: 2605000 235.063 -31.7893 -125.331 19.2943 229.613 -115.883 -31.0694 -75.9613 -300.511 PRESSAVG: 2605000 4.97344 -2.26808 -62.9618 -2.26801 41.6921 27.4757 -62.9617 27.4758 -11.5888 GPRESSAVG: 2605000 6.04935 -4.01917 -63.5763 -0.641465 40.8712 26.4192 -61.5216 27.7592 -11.7626 TIMING: 2605000 CPU: 7559.54, 0.00292149/step Wall: 7559.54, 0.00292149/step, 1.94361 hours remaining, 207.484375 MB of memory in use. ENERGY: 2605000 770.2054 2087.6114 1981.6456 124.0795 -205978.6492 17858.4765 0.0000 0.0000 34215.1347 -148941.4961 298.8093 -183156.6309 -148842.8459 300.5949 24.6246 54.7218 558129.7347 11.6922 11.7193 PRESSURE: 2605200 -150.396 54.9266 24.2758 54.9271 -10.6258 -34.0572 24.2756 -34.0566 -231.312 GPRESSURE: 2605200 -147.327 -9.60611 36.9692 15.2155 30.7529 -20.7871 -34.6803 37.8598 -179.167 PRESSAVG: 2605200 33.2968 13.7519 37.8562 13.7519 31.0935 78.8591 37.8561 78.8591 -46.2823 GPRESSAVG: 2605200 32.2448 14.8308 35.9254 12.3296 31.7168 79.6987 38.0615 80.5629 -45.9999 TIMING: 2605200 CPU: 7560.12, 0.0029045/step Wall: 7560.12, 0.0029045/step, 1.93214 hours remaining, 207.484375 MB of memory in use. ENERGY: 2605200 775.5196 2089.9085 1978.9141 100.9901 -205906.9549 17636.7446 0.0000 0.0000 34471.0109 -148853.8671 301.0439 -183324.8780 -148754.6408 299.9541 -130.7779 -98.5802 558190.4492 6.0360 5.9872 PRESSURE: 2605400 -16.3856 63.7261 -65.0852 63.7256 121.633 -140.973 -65.0848 -140.974 -117.738 GPRESSURE: 2605400 -11.2897 114.935 -60.0302 115.213 200.007 -142.805 -68.3066 -89.5147 -105.453 PRESSAVG: 2605400 -11.9038 -40.6897 -54.4074 -40.6897 -14.7737 0.412077 -54.4074 0.412089 51.3646 GPRESSAVG: 2605400 -12.1835 -42.5914 -51.8856 -41.1672 -13.603 1.47879 -54.1305 -1.91681 50.2639 TIMING: 2605400 CPU: 7560.7, 0.00291272/step Wall: 7560.7, 0.00291272/step, 1.93745 hours remaining, 207.484375 MB of memory in use. ENERGY: 2605400 719.1575 2126.4336 1965.2941 106.2679 -206072.4335 17762.5932 0.0000 0.0000 34539.6994 -148852.9877 301.6438 -183392.6871 -148759.0551 300.2998 -4.1634 27.7548 557828.1931 8.2290 8.1591 PRESSURE: 2605600 4.33444 -2.39872 13.5923 -2.39851 51.8128 -58.843 13.5922 -58.8443 277.998 GPRESSURE: 2605600 70.9855 -28.7135 -54.0292 -18.2193 105.584 -86.1028 87.8024 -85.6879 236.797 PRESSAVG: 2605600 -58.0566 -11.1609 -7.35542 -11.1608 64.7247 26.397 -7.35547 26.397 -49.1793 GPRESSAVG: 2605600 -57.7873 -9.79632 -8.14821 -8.79742 63.424 25.5006 -6.46553 26.2051 -48.608 TIMING: 2605600 CPU: 7561.29, 0.0029052/step Wall: 7561.29, 0.0029052/step, 1.93228 hours remaining, 207.484375 MB of memory in use. ENERGY: 2605600 726.3488 2122.2920 1970.3004 107.1038 -206222.1847 17904.3779 0.0000 0.0000 34455.0858 -148936.6760 300.9048 -183391.7618 -148850.1540 300.3297 111.3816 137.7890 557017.1736 -14.1704 -14.3238 PRESSURE: 2605800 90.0524 -22.1054 121.793 -22.1058 -71.1837 -37.9653 121.793 -37.9654 -128.039 GPRESSURE: 2605800 136.211 14.7395 123.96 68.6233 -89.4931 -31.9774 167.715 -45.0947 -52.4028 PRESSAVG: 2605800 -0.73546 -17.587 -7.72587 -17.5871 -2.52793 72.466 -7.72588 72.466 -12.2319 GPRESSAVG: 2605800 0.102932 -17.1399 -7.33584 -19.1265 -2.93444 73.6648 -10.7966 72.4716 -11.918 TIMING: 2605800 CPU: 7561.86, 0.00289724/step Wall: 7561.86, 0.00289725/step, 1.92683 hours remaining, 207.484375 MB of memory in use. ENERGY: 2605800 724.4519 2116.3439 1971.2197 119.7965 -205823.1154 17660.3707 0.0000 0.0000 34289.1316 -148941.8012 299.4555 -183230.9328 -148845.5031 299.2043 -36.3901 -1.8949 558287.4029 -5.1651 -4.9165 PRESSURE: 2606000 -69.6534 43.5755 285.996 43.5768 -46.6092 121.958 285.997 121.957 -22.1827 GPRESSURE: 2606000 -69.4085 16.0623 269.48 118.681 55.9941 77.7557 234.901 191.933 -26.1283 PRESSAVG: 2606000 23.736 40.407 44.4097 40.4071 30.802 62.9479 44.4098 62.9479 -31.9574 GPRESSAVG: 2606000 22.7894 40.42 41.9522 40.7144 31.3802 61.4221 47.4091 63.0426 -31.4312 TIMING: 2606000 CPU: 7562.44, 0.00289587/step Wall: 7562.44, 0.00289587/step, 1.92576 hours remaining, 207.484375 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: 2606000 715.6218 2090.1592 1945.4872 101.0757 -205901.5323 17724.0653 0.0000 0.0000 34493.1101 -148832.0130 301.2369 -183325.1231 -148734.5721 299.9190 -46.1484 -13.1809 559307.2747 7.5269 7.5795 PRESSURE: 2606200 97.4979 -192.104 208.513 -192.103 -67.3922 110.825 208.514 110.826 156.912 GPRESSURE: 2606200 140.814 -74.1216 250.977 -296.678 -33.5297 27.1225 169.416 55.8473 175.679 PRESSAVG: 2606200 -2.01077 -29.5854 7.94299 -29.5854 14.0453 30.9313 7.94303 30.9313 13.0824 GPRESSAVG: 2606200 -0.170326 -28.5495 12.4089 -31.3343 13.9166 32.3487 5.39698 29.921 11.4605 TIMING: 2606200 CPU: 7563.02, 0.00288716/step Wall: 7563.02, 0.00288716/step, 1.9198 hours remaining, 207.484375 MB of memory in use. ENERGY: 2606200 716.7812 2082.4877 1982.8096 101.1961 -205843.3458 17729.6458 0.0000 0.0000 34397.0069 -148833.4185 300.3976 -183230.4254 -148737.4377 300.6116 62.3393 94.3210 556991.8208 8.3723 8.4022 PRESSURE: 2606400 -288.372 34.4401 106.94 34.4399 -208.522 -8.17491 106.941 -8.17491 -228.97 GPRESSURE: 2606400 -232.627 51.051 109.217 -58.6506 -176.664 -50.9345 76.8745 100.058 -227.297 PRESSAVG: 2606400 -40.1568 -38.9749 7.07471 -38.9749 6.89455 -41.1799 7.07472 -41.18 14.6641 GPRESSAVG: 2606400 -41.1459 -41.0362 3.88911 -38.211 7.54033 -42.4136 9.32155 -38.7963 15.1236 TIMING: 2606400 CPU: 7563.6, 0.00290669/step Wall: 7563.6, 0.00290669/step, 1.93263 hours remaining, 207.484375 MB of memory in use. ENERGY: 2606400 766.4041 2092.2363 1928.3286 118.2419 -205726.3934 17455.5207 0.0000 0.0000 34627.5303 -148738.1314 302.4108 -183365.6617 -148643.0185 301.0624 -241.9549 -212.1962 558780.3674 -6.1994 -6.1606 PRESSURE: 2606600 -241.043 -115.373 156.947 -115.372 1.21539 -116.696 156.948 -116.695 -88.1185 GPRESSURE: 2606600 -233.218 -126.743 79.0082 -128.642 8.41013 -202.908 199.156 -103.402 -11.7017 PRESSAVG: 2606600 -30.4633 -28.028 35.9967 -28.028 46.1152 -25.732 35.9968 -25.7321 -16.6732 GPRESSAVG: 2606600 -31.757 -29.8549 36.8923 -27.249 46.4179 -27.1357 34.7762 -26.1274 -16.3265 TIMING: 2606600 CPU: 7564.18, 0.00289561/step Wall: 7564.18, 0.00289561/step, 1.9251 hours remaining, 207.484375 MB of memory in use. ENERGY: 2606600 757.0201 2086.6182 1960.2785 109.5127 -205827.4711 17729.8917 0.0000 0.0000 34356.3063 -148827.8437 300.0422 -183184.1500 -148725.8783 300.7415 -109.3153 -78.8365 559094.3906 -0.3404 -0.5552 PRESSURE: 2606800 -297.064 11.3564 16.3951 11.357 -115.74 -233.6 16.3939 -233.6 -134.151 GPRESSURE: 2606800 -252.095 68.2828 -40.0845 31.7126 -76.4955 -212.174 27.9474 -216.058 -112.185 PRESSAVG: 2606800 -40.6659 -38.9918 46.3276 -38.9919 28.6891 -40.9215 46.3277 -40.9216 7.05546 GPRESSAVG: 2606800 -40.2482 -37.3634 47.0178 -37.0586 27.3296 -40.6577 45.8651 -39.286 7.62883 TIMING: 2606800 CPU: 7564.76, 0.00289681/step Wall: 7564.76, 0.00289681/step, 1.92574 hours remaining, 207.574219 MB of memory in use. ENERGY: 2606800 739.9434 2057.4945 1951.0253 106.8227 -205776.4863 17486.4905 0.0000 0.0000 34511.9969 -148922.7131 301.4019 -183434.7099 -148821.1113 300.1789 -182.3182 -146.9252 558272.7468 -1.6404 -1.7632 PRESSURE: 2607000 -154.505 -132.63 47.896 -132.632 287.56 122.838 47.8981 122.839 -333.07 GPRESSURE: 2607000 -116.338 -78.9562 99.0247 -146.491 282.709 177.365 72.2793 166.945 -275.636 PRESSAVG: 2607000 -44.0714 -20.1413 17.7562 -20.1413 75.4201 0.59419 17.7562 0.594209 -14.9355 GPRESSAVG: 2607000 -44.0405 -17.5161 20.4077 -22.5624 75.1086 3.68158 17.0974 -4.31204 -14.8264 TIMING: 2607000 CPU: 7565.34, 0.00288739/step Wall: 7565.34, 0.00288739/step, 1.91931 hours remaining, 207.574219 MB of memory in use. ENERGY: 2607000 736.5701 2151.8164 1960.0718 114.4250 -205763.1860 17618.2916 0.0000 0.0000 34247.6566 -148934.3544 299.0933 -183182.0110 -148838.3153 300.0416 -66.6720 -36.4216 556985.9614 5.4711 5.4139 PRESSURE: 2607200 -346.74 -76.1042 49.2349 -76.1039 -329.371 7.59546 49.2349 7.59534 -303.498 GPRESSURE: 2607200 -274.455 -103.762 49.4353 -47.4086 -316.074 -19.8813 86.1973 92.2588 -291.12 PRESSAVG: 2607200 27.2427 31.9706 25.7529 31.9707 46.182 13.7482 25.7529 13.7482 -82.0364 GPRESSAVG: 2607200 27.0538 29.8312 22.3083 32.2459 47.5128 10.8612 29.7867 16.548 -83.2037 TIMING: 2607200 CPU: 7565.92, 0.00289487/step Wall: 7565.92, 0.00289487/step, 1.92412 hours remaining, 207.574219 MB of memory in use. ENERGY: 2607200 792.8704 2151.2699 1983.3150 115.3417 -205525.7998 17295.9550 0.0000 0.0000 34242.7285 -148944.3193 299.0503 -183187.0478 -148848.8936 299.7181 -326.5362 -293.8831 558081.3268 -2.8706 -2.8790 PRESSURE: 2607400 43.925 157.153 -41.554 157.153 54.249 -95.271 -41.5541 -95.2693 -106.946 GPRESSURE: 2607400 84.9112 157.712 -47.135 197.68 92.4481 -123.527 -80.7605 -87.1607 -96.5795 PRESSAVG: 2607400 14.2891 11.5112 -17.595 11.5112 55.1047 -18.362 -17.5951 -18.3619 -39.7139 GPRESSAVG: 2607400 15.0243 13.8088 -17.089 13.4119 54.2966 -18.1221 -18.7142 -18.0634 -39.9449 TIMING: 2607400 CPU: 7566.49, 0.00288277/step Wall: 7566.49, 0.00288277/step, 1.91592 hours remaining, 207.574219 MB of memory in use. ENERGY: 2607400 768.9940 2156.9641 1981.1275 111.1710 -205942.5189 17812.6587 0.0000 0.0000 34374.3872 -148737.2163 300.2001 -183111.6036 -148632.5364 300.3916 -2.9240 26.9266 556053.1609 9.8933 9.7920 PRESSURE: 2607600 -88.5504 -125.159 38.7387 -125.161 110.658 4.80507 38.739 4.80501 -135.984 GPRESSURE: 2607600 -98.7657 -58.1789 4.00246 -167.971 136.443 -47.1877 43.0054 91.2003 -63.7121 PRESSAVG: 2607600 20.1306 -23.8137 17.4272 -23.8138 10.5963 28.9972 17.427 28.9972 -53.4485 GPRESSAVG: 2607600 19.6376 -25.1089 18.2502 -25.4708 10.3079 28.8557 16.1264 29.6304 -52.8459 TIMING: 2607600 CPU: 7567.07, 0.00289275/step Wall: 7567.07, 0.00289275/step, 1.92239 hours remaining, 207.574219 MB of memory in use. ENERGY: 2607600 734.6083 2126.3091 1975.7835 120.9398 -206202.8642 17777.9083 0.0000 0.0000 34504.7550 -148962.5602 301.3386 -183467.3152 -148866.0099 300.7467 -37.9587 -8.6783 557590.3577 -7.5739 -7.6335 PRESSURE: 2607800 -176.852 136.44 -56.83 136.439 -159.116 -44.7064 -56.8294 -44.706 -158.565 GPRESSURE: 2607800 -136.028 194.482 -117.567 62.6857 -96.8676 -60.5661 14.629 -99.6444 -150.073 PRESSAVG: 2607800 28.166 18.2103 -15.8338 18.2102 4.6361 28.1142 -15.8338 28.1142 -5.71688 GPRESSAVG: 2607800 28.152 19.4133 -16.1272 18.4625 4.19748 29.7213 -16.0169 25.9181 -4.72688 TIMING: 2607800 CPU: 7567.65, 0.00289305/step Wall: 7567.65, 0.00289305/step, 1.92243 hours remaining, 207.574219 MB of memory in use. ENERGY: 2607800 748.4809 2108.6819 1974.0994 122.6841 -205870.7425 17612.0020 0.0000 0.0000 34336.9525 -148967.8416 299.8731 -183304.7941 -148867.1897 299.6300 -164.8443 -127.6563 559010.9310 9.0284 9.2075 PRESSURE: 2608000 -240.151 -93.3904 -92.8238 -93.3897 -81.6789 41.0243 -92.8237 41.0249 -124.728 GPRESSURE: 2608000 -214.272 -5.50467 -120.157 -107.237 -67.0696 129.794 -103.912 -6.60076 -75.7858 PRESSAVG: 2608000 -6.33585 35.1088 -31.4537 35.1087 -36.6735 18.2521 -31.4537 18.2521 0.0174208 GPRESSAVG: 2608000 -5.49412 33.2143 -31.0926 35.8036 -37.0376 16.3614 -33.5329 19.448 -0.47181 TIMING: 2608000 CPU: 7568.24, 0.00292839/step Wall: 7568.24, 0.00292839/step, 1.94575 hours remaining, 207.574219 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: 2608000 796.4327 2113.4380 1984.8434 124.2043 -206246.8601 17709.6030 0.0000 0.0000 34338.5008 -149179.8378 299.8867 -183518.3386 -149079.2447 299.5558 -148.8526 -119.0425 558323.3624 -14.3307 -14.3345 PRESSURE: 2608200 -150.679 -77.5601 -73.4901 -77.5596 159.462 -54.2901 -73.4906 -54.2884 150.127 GPRESSURE: 2608200 -125.616 -114.437 -46.665 -33.7666 184.57 -31.707 -90.3277 -22.1969 195.48 PRESSAVG: 2608200 -41.962 32.2348 -2.55353 32.2347 -28.2165 -3.04341 -2.55362 -3.04338 -5.96478 GPRESSAVG: 2608200 -42.7869 32.9486 -1.01401 33.0336 -28.2347 -3.15477 -1.086 -4.28006 -5.08684 TIMING: 2608200 CPU: 7568.82, 0.0028966/step Wall: 7568.82, 0.0028966/step, 1.92447 hours remaining, 207.574219 MB of memory in use. ENERGY: 2608200 790.2436 2090.6518 1958.0617 117.1724 -206633.0107 18095.0510 0.0000 0.0000 34276.7349 -149305.0953 299.3473 -183581.8302 -149205.5049 299.3126 52.9699 84.8110 557876.3050 -25.3811 -25.3695 LDB: ============= START OF LOAD BALANCING ============== 7572.28 LDB: ============== END OF LOAD BALANCING =============== 7572.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7572.28 LDB: ============= START OF LOAD BALANCING ============== 7572.57 LDB: Largest compute 4821 load 0.032431 is 27.5% of average load 0.117759 LDB: Average compute 0.001719 is 1.5% of average load 0.117759 LDB: TIME 7572.57 LOAD: AVG 0.117759 MAX 0.179376 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.5 MB LDB: TIME 7572.57 LOAD: AVG 0.117759 MAX 0.179376 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 7572.58 LOAD: AVG 0.117759 MAX 0.179376 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: ============== END OF LOAD BALANCING =============== 7572.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7572.58 PRESSURE: 2608400 -153.517 -86.0388 -18.8485 -86.0389 85.1848 -116.994 -18.8491 -116.993 40.4527 GPRESSURE: 2608400 -218.813 -149.673 -6.80775 -37.0046 195.296 -104.63 -44.8807 -67.4843 97.6766 PRESSAVG: 2608400 12.2473 17.4323 16.6335 17.4323 2.68144 -28.5898 16.6335 -28.5898 7.53747 GPRESSAVG: 2608400 12.5218 16.2106 16.6043 15.9674 3.0701 -27.7843 17.2591 -27.8548 7.52847 TIMING: 2608400 CPU: 7569.41, 0.00294876/step Wall: 7569.41, 0.00294876/step, 1.95896 hours remaining, 207.421875 MB of memory in use. ENERGY: 2608400 745.6585 2126.4836 1946.5047 118.5991 -206446.0354 17964.1468 0.0000 0.0000 34259.4760 -149285.1667 299.1965 -183544.6427 -149191.6863 299.4399 -9.2933 24.7202 557501.4646 7.4887 7.7068 PRESSURE: 2608600 204.369 34.8135 -16.2793 34.8128 -66.259 121.088 -16.2789 121.087 -248.961 GPRESSURE: 2608600 188.881 67.3709 -105.733 -8.65072 -13.5927 163.513 63.8239 106.387 -188.18 PRESSAVG: 2608600 -37.1453 7.32908 13.029 7.32913 34.503 -81.8555 13.029 -81.8555 36.2402 GPRESSAVG: 2608600 -36.8793 6.70261 12.6022 7.55635 34.8738 -80.3822 13.6828 -82.6689 35.2849 TIMING: 2608600 CPU: 7569.99, 0.00290575/step Wall: 7569.99, 0.00290575/step, 1.93022 hours remaining, 207.421875 MB of memory in use. ENERGY: 2608600 766.3942 2092.4253 1978.7889 128.5555 -206456.9569 17960.4463 0.0000 0.0000 34462.6926 -149067.6541 300.9713 -183530.3468 -148969.4788 299.9806 -36.9503 -4.2973 556875.5132 11.1993 11.0931 PRESSURE: 2608800 -16.1339 -144.005 -31.9413 -144.005 124.213 -61.6569 -31.9423 -61.6576 -118.232 GPRESSURE: 2608800 -2.64103 -144.476 -0.162023 -89.9903 148.818 -77.1189 4.90507 -48.8305 -60.4582 PRESSAVG: 2608800 0.804915 -83.8967 -46.7158 -83.8967 -14.3558 -12.3185 -46.7158 -12.3186 86.596 GPRESSAVG: 2608800 0.764759 -82.9784 -47.1286 -84.7012 -14.2134 -12.2611 -46.9285 -11.5037 86.7274 TIMING: 2608800 CPU: 7570.57, 0.00289353/step Wall: 7570.57, 0.00289353/step, 1.92195 hours remaining, 207.714844 MB of memory in use. ENERGY: 2608800 748.1036 2155.9974 1961.8432 118.9229 -205872.2862 17696.5423 0.0000 0.0000 34270.1477 -148920.7291 299.2897 -183190.8768 -148816.8836 300.1344 -3.3840 28.5729 556923.4152 24.3484 24.4262 PRESSURE: 2609000 -269.053 71.519 21.4478 71.5184 -309.433 -16.1488 21.4471 -16.1476 -32.0639 GPRESSURE: 2609000 -221.315 199.776 23.1905 23.8671 -299.197 10.2699 22.6563 -39.5687 13.7425 PRESSAVG: 2609000 -65.2926 -24.7879 -36.4261 -24.7878 -4.25467 13.5441 -36.4262 13.5441 55.1302 GPRESSAVG: 2609000 -64.1219 -24.8737 -35.8375 -24.9789 -6.68305 11.3918 -35.8294 15.7303 55.6697 TIMING: 2609000 CPU: 7571.14, 0.00289546/step Wall: 7571.14, 0.00289546/step, 1.92307 hours remaining, 207.714844 MB of memory in use. ENERGY: 2609000 760.6138 2105.1819 1976.9744 123.5884 -205759.6961 17459.5025 0.0000 0.0000 34292.6773 -149041.1579 299.4865 -183333.8351 -148940.1413 300.1542 -203.5168 -168.9233 559826.1721 -4.8057 -5.0451 PRESSURE: 2609200 -181.941 73.6384 -6.58699 73.6379 204.611 -38.1406 -6.58628 -38.14 162.849 GPRESSURE: 2609200 -166.982 87.6572 31.6819 56.3821 258.427 -55.5467 -84.5779 -20.8346 177.63 PRESSAVG: 2609200 -36.1375 31.9128 -41.3668 31.9128 17.4338 -38.1954 -41.3667 -38.1954 35.0735 GPRESSAVG: 2609200 -37.2524 32.0478 -45.2233 33.2881 18.5344 -38.0878 -42.3194 -40.6132 35.1735 TIMING: 2609200 CPU: 7571.73, 0.00291379/step Wall: 7571.73, 0.00291379/step, 1.93508 hours remaining, 207.714844 MB of memory in use. ENERGY: 2609200 747.0754 2130.5633 1964.8129 119.7097 -206169.0659 17909.9741 0.0000 0.0000 34179.1231 -149117.8075 298.4948 -183296.9306 -149023.2417 299.3229 61.8396 89.6919 556586.8070 5.4566 5.4852 PRESSURE: 2609400 -164.732 72.8329 -47.2074 72.8319 -99.4545 -37.6295 -47.2079 -37.6279 -88.4725 GPRESSURE: 2609400 -91.7211 74.0121 -81.6713 90.1104 -54.8645 -128.668 -50.4577 65.0241 -102.752 PRESSAVG: 2609400 -17.0206 17.0965 -81.8547 17.0965 -4.1433 -29.6613 -81.8547 -29.6612 36.742 GPRESSAVG: 2609400 -15.9431 15.7733 -80.3933 18.9255 -4.10287 -30.2824 -80.5456 -29.0525 35.4242 TIMING: 2609400 CPU: 7572.31, 0.00290908/step Wall: 7572.31, 0.00290908/step, 1.93179 hours remaining, 207.714844 MB of memory in use. ENERGY: 2609400 769.3033 2132.3800 1960.7835 111.5136 -205931.0492 17708.0346 0.0000 0.0000 34178.7443 -149070.2898 298.4915 -183249.0341 -148967.9360 299.3784 -117.5528 -83.1126 557994.4697 5.1927 5.1260 PRESSURE: 2609600 -69.617 -97.1856 -1.95812 -97.1856 -75.4863 -7.39394 -1.95735 -7.39192 -22.736 GPRESSURE: 2609600 16.9082 -105.9 -115.903 -138.867 -63.9427 68.4125 72.2508 14.1351 -26.9779 PRESSAVG: 2609600 -31.7098 -2.82101 -43.8673 -2.821 58.0767 -37.9664 -43.8672 -37.9663 -37.0046 GPRESSAVG: 2609600 -33.8084 0.0993831 -43.2919 -5.14183 58.5602 -37.7434 -45.0369 -37.7298 -35.2444 TIMING: 2609600 CPU: 7572.89, 0.00289155/step Wall: 7572.89, 0.00289155/step, 1.91999 hours remaining, 207.714844 MB of memory in use. ENERGY: 2609600 754.8485 2089.0217 1970.6443 107.6049 -206100.0696 17781.7600 0.0000 0.0000 34316.1346 -149080.0556 299.6913 -183396.1902 -148978.5754 299.9128 -55.9464 -24.6708 557722.7229 -3.5459 -3.4975 PRESSURE: 2609800 95.9219 -47.5118 94.6581 -47.5117 -149.705 95.4201 94.6581 95.4202 5.15407 GPRESSURE: 2609800 49.2013 34.467 108.666 -158.785 -66.3387 163.403 107.298 165.43 40.8863 PRESSAVG: 2609800 -32.5534 3.6545 2.0005 3.65451 -1.61027 -41.6175 2.00053 -41.6175 39.8559 GPRESSAVG: 2609800 -31.9322 2.11556 4.91048 3.63457 -1.7768 -43.4451 0.535808 -40.7115 39.3957 TIMING: 2609800 CPU: 7573.47, 0.00290845/step Wall: 7573.47, 0.00290845/step, 1.93105 hours remaining, 207.714844 MB of memory in use. ENERGY: 2609800 699.5706 2156.2491 1963.0106 94.2780 -206029.2895 17677.6150 0.0000 0.0000 34234.7885 -149203.7776 298.9809 -183438.5662 -149108.7197 298.9520 -16.2096 7.9163 557449.5870 1.8974 1.8956 PRESSURE: 2610000 -166.321 66.2779 110.962 66.2775 -68.8027 -110.708 110.962 -110.709 163.242 GPRESSURE: 2610000 -158.646 35.5456 65.7963 103.944 -12.2427 -48.7555 76.3481 -68.8085 203.133 PRESSAVG: 2610000 -15.3129 -43.6372 -16.1698 -43.6372 17.0036 -27.248 -16.1698 -27.248 12.7629 GPRESSAVG: 2610000 -14.0835 -43.1959 -16.7694 -44.1917 16.958 -23.8665 -15.0062 -29.8151 12.2551 TIMING: 2610000 CPU: 7574.05, 0.00291338/step Wall: 7574.05, 0.00291338/step, 1.93416 hours remaining, 207.714844 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: 2610000 736.4566 2112.8382 1965.7075 106.9717 -206061.6212 17757.8434 0.0000 0.0000 34022.0113 -149359.7924 297.1227 -183381.8037 -149266.6554 298.8149 -23.9607 10.7483 556941.1942 4.8179 5.0432 PRESSURE: 2610200 135.447 52.7117 -7.64162 52.7121 123.777 108.779 -7.64215 108.776 66.5866 GPRESSURE: 2610200 127.663 -4.81939 21.9759 53.317 160.663 121.419 -31.8077 4.26699 143.585 PRESSAVG: 2610200 -19.7988 6.84847 -15.4768 6.84851 -28.1408 25.4553 -15.4768 25.4554 33.2772 GPRESSAVG: 2610200 -21.6949 6.73058 -17.4314 7.7565 -27.096 23.3647 -14.0202 29.1491 34.2533 TIMING: 2610200 CPU: 7574.63, 0.00289696/step Wall: 7574.63, 0.00289696/step, 1.9231 hours remaining, 207.714844 MB of memory in use. ENERGY: 2610200 783.4345 2092.3718 2002.2134 121.3410 -206620.3103 18095.5796 0.0000 0.0000 33988.7462 -149536.6239 296.8322 -183525.3700 -149438.0413 298.0051 108.6038 143.9703 556979.4523 -4.8875 -4.8459 PRESSURE: 2610400 40.6466 -86.1007 27.9745 -86.1004 -93.2583 88.3745 27.9736 88.3746 -94.6948 GPRESSURE: 2610400 72.2817 -143.166 21.8412 -56.6837 -32.8414 21.1101 53.9206 54.5004 -98.4058 PRESSAVG: 2610400 40.0533 5.47648 -51.8477 5.47645 -53.6589 -36.2742 -51.8477 -36.2742 -3.21309 GPRESSAVG: 2610400 41.3573 5.39977 -51.2789 5.11347 -53.2451 -33.7632 -51.1534 -39.4364 -5.1736 TIMING: 2610400 CPU: 7575.21, 0.00289829/step Wall: 7575.21, 0.00289829/step, 1.92382 hours remaining, 207.714844 MB of memory in use. ENERGY: 2610400 734.6436 2098.5880 1986.4393 112.9885 -206492.9105 17851.2562 0.0000 0.0000 34006.9780 -149702.0170 296.9914 -183708.9950 -149605.2031 297.5489 -49.1022 -19.6552 557205.9255 -5.6063 -5.6871 PRESSURE: 2610600 10.4667 24.2011 -199.775 24.201 -137.177 -17.1709 -199.774 -17.1716 -84.7346 GPRESSURE: 2610600 60.0662 106.47 -175.637 15.0538 -144.286 -44.5562 -235.779 -10.8569 -22.8126 PRESSAVG: 2610600 -21.3925 -18.7993 -57.754 -18.7994 29.8294 -28.4527 -57.7541 -28.4528 15.9917 GPRESSAVG: 2610600 -20.6642 -19.4594 -60.1561 -19.0413 27.6812 -28.809 -57.4948 -27.0279 17.7472 TIMING: 2610600 CPU: 7575.79, 0.00288882/step Wall: 7575.79, 0.00288882/step, 1.91737 hours remaining, 207.714844 MB of memory in use. ENERGY: 2610600 730.0308 2131.8648 1960.6964 115.2215 -206358.7863 17789.0985 0.0000 0.0000 34150.5038 -149481.3706 298.2448 -183631.8744 -149387.5409 298.8404 -70.4815 -35.6774 558218.2656 8.1429 8.2547 PRESSURE: 2610800 93.6002 -20.1782 -68.075 -20.1795 245.658 51.3113 -68.0751 51.311 -50.6895 GPRESSURE: 2610800 84.3171 6.65135 -27.5519 -11.2483 323.601 62.5566 0.3198 30.8043 -25.3993 PRESSAVG: 2610800 10.4616 10.632 10.3511 10.6319 -44.3231 12.776 10.3511 12.7761 24.5368 GPRESSAVG: 2610800 9.19935 10.2378 10.2768 10.1967 -42.6789 9.08679 9.4444 12.1518 24.2446 TIMING: 2610800 CPU: 7576.37, 0.00290476/step Wall: 7576.37, 0.00290476/step, 1.92779 hours remaining, 207.714844 MB of memory in use. ENERGY: 2610800 795.6010 2121.0227 1995.6565 104.5445 -206443.2499 17931.1472 0.0000 0.0000 33908.9908 -149586.2872 296.1357 -183495.2780 -149490.7884 298.2026 96.1894 127.5064 556753.2809 -3.1083 -3.0783 PRESSURE: 2611000 120.104 -87.6864 -137.639 -87.6869 -108.347 39.6827 -137.64 39.6832 392.876 GPRESSURE: 2611000 192.477 -38.8889 -89.4632 -211.382 -61.1584 59.6542 -177.214 71.7937 368.905 PRESSAVG: 2611000 -19.838 -26.8418 -22.8922 -26.8418 -20.0569 -3.05483 -22.8924 -3.05485 15.6951 GPRESSAVG: 2611000 -19.579 -25.1794 -19.4115 -27.3241 -19.9029 -1.52995 -22.2576 -2.44042 15.5423 TIMING: 2611000 CPU: 7576.95, 0.00290109/step Wall: 7576.95, 0.00290109/step, 1.92519 hours remaining, 207.714844 MB of memory in use. ENERGY: 2611000 732.7963 2098.2375 1961.0450 114.4006 -206604.6016 18128.3922 0.0000 0.0000 34062.0643 -149507.6657 297.4725 -183569.7300 -149408.3647 298.1479 134.8777 166.7415 557504.8679 -8.0666 -7.9799 PRESSURE: 2611200 78.8222 -13.1067 28.1356 -13.1066 184.679 -81.6485 28.1367 -81.6477 113.362 GPRESSURE: 2611200 114.628 -8.57305 -5.8526 -28.0562 248.172 -18.8171 31.3684 -37.096 122.798 PRESSAVG: 2611200 -11.5692 -66.9728 -38.0197 -66.9726 1.132 8.12259 -38.0197 8.12263 5.71063 GPRESSAVG: 2611200 -11.8123 -68.7026 -40.1607 -66.1294 0.135564 8.26593 -38.4629 6.97972 6.81941 TIMING: 2611200 CPU: 7577.53, 0.00290748/step Wall: 7577.53, 0.00290748/step, 1.92928 hours remaining, 207.714844 MB of memory in use. ENERGY: 2611200 743.9313 2026.3054 1979.6461 111.1790 -207223.9484 18282.9230 0.0000 0.0000 34293.5741 -149786.3895 299.4943 -184079.9636 -149682.1413 298.4159 125.6211 161.8661 555366.3251 -1.5755 -1.6191 PRESSURE: 2611400 -2.92135 -186.05 92.4846 -186.05 -196.223 4.22987 92.4846 4.23051 104.779 GPRESSURE: 2611400 19.1439 -190.217 87.254 -222.286 -170.655 -118.681 79.1789 75.7008 145.725 PRESSAVG: 2611400 -26.0563 -5.5823 46.4124 -5.58232 37.4489 38.3148 46.4125 38.3148 -62.1744 GPRESSAVG: 2611400 -25.6027 -5.24193 48.3485 -3.02337 38.0446 38.0093 45.3729 40.7376 -63.3303 TIMING: 2611400 CPU: 7578.12, 0.00292953/step Wall: 7578.12, 0.00292953/step, 1.94375 hours remaining, 207.714844 MB of memory in use. ENERGY: 2611400 737.5477 2089.1955 1985.3004 119.9133 -206746.1530 17903.0497 0.0000 0.0000 34073.7106 -149837.4357 297.5742 -183911.1463 -149741.6453 297.8972 -31.4550 -1.9286 557439.2450 -16.9272 -16.9628 PRESSURE: 2611600 125.634 -82.5536 36.0909 -82.5544 -114.398 70.7997 36.0911 70.7996 -157.488 GPRESSURE: 2611600 134.493 -35.2608 -22.2167 -101.294 -95.5254 111.064 15.9545 117.288 -90.9929 PRESSAVG: 2611600 -7.20248 -49.6255 -75.9526 -49.6254 22.7579 51.706 -75.9526 51.706 22.5171 GPRESSAVG: 2611600 -7.3106 -49.8106 -77.4115 -52.8922 22.8638 53.1332 -76.5171 50.8445 22.3663 TIMING: 2611600 CPU: 7578.7, 0.00292729/step Wall: 7578.7, 0.00292729/step, 1.94209 hours remaining, 207.910156 MB of memory in use. ENERGY: 2611600 741.2228 2077.0272 1949.1958 102.1808 -206714.0751 17874.0917 0.0000 0.0000 34099.9325 -149870.4243 297.8032 -183970.3568 -149778.3717 297.2610 -48.7507 -17.3416 556497.5239 12.6909 12.6398 PRESSURE: 2611800 -81.8005 61.1678 145.043 61.1678 -286.482 61.9997 145.042 62.0011 108.144 GPRESSURE: 2611800 -83.3838 -76.2926 193.955 130.334 -290.313 38.0966 171.366 97.9802 212.591 PRESSAVG: 2611800 81.743 -72.8205 33.1495 -72.8205 -53.1846 -26.9085 33.1496 -26.9085 -50.2007 GPRESSAVG: 2611800 81.3039 -71.2189 31.9197 -71.4614 -53.4238 -29.7997 34.9242 -26.9931 -49.9131 TIMING: 2611800 CPU: 7579.28, 0.00290489/step Wall: 7579.28, 0.00290489/step, 1.92707 hours remaining, 207.910156 MB of memory in use. ENERGY: 2611800 751.9077 2080.6933 1996.9017 98.8442 -206420.2878 17874.1234 0.0000 0.0000 33980.7797 -149637.0378 296.7626 -183617.8175 -149540.8853 297.4320 -86.7130 -53.7016 557014.3360 -7.2141 -7.3443 PRESSURE: 2612000 -136.524 -13.8172 32.661 -13.8167 -231.812 90.8075 32.6606 90.8075 234.669 GPRESSURE: 2612000 -96.4634 -22.9102 -7.45421 -53.4088 -175.453 64.0622 50.538 127.532 238.962 PRESSAVG: 2612000 23.4078 5.74252 18.4005 5.74246 -82.1718 33.9636 18.4005 33.9636 59.4947 GPRESSAVG: 2612000 24.025 2.44989 20.8239 7.58276 -83.5459 33.6176 15.5625 33.4276 60.6702 TIMING: 2612000 CPU: 7579.86, 0.00290339/step Wall: 7579.86, 0.00290339/step, 1.92592 hours remaining, 207.910156 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: 2612000 788.3914 2044.2644 1973.9637 117.2607 -206604.8832 17865.1076 0.0000 0.0000 34017.8467 -149798.0488 297.0863 -183815.8954 -149707.8866 297.2577 -44.5556 -10.9848 556198.0539 0.2436 0.3831 PRESSURE: 2612200 -293.872 36.3829 225.085 36.3828 -238.246 -172.088 225.087 -172.089 -243.534 GPRESSURE: 2612200 -253.721 -25.4255 141.481 77.7038 -204.904 -180.152 306.949 -158.536 -224.324 PRESSAVG: 2612200 -2.90514 -80.3753 58.5625 -80.3753 -56.2237 -46.794 58.5624 -46.7941 14.9181 GPRESSAVG: 2612200 -4.28413 -76.6092 54.7645 -83.1504 -54.1333 -42.8702 62.0466 -46.5924 14.0392 TIMING: 2612200 CPU: 7580.45, 0.00290928/step Wall: 7580.45, 0.00290928/step, 1.92966 hours remaining, 207.910156 MB of memory in use. ENERGY: 2612200 748.1586 2031.8940 1963.2898 118.3838 -206243.6716 17433.7335 0.0000 0.0000 34210.4004 -149737.8115 298.7679 -183948.2119 -149638.6101 298.2988 -258.5506 -227.6499 557687.9614 -14.7369 -14.7927 LDB: ============= START OF LOAD BALANCING ============== 7583.91 LDB: ============== END OF LOAD BALANCING =============== 7583.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7583.91 LDB: ============= START OF LOAD BALANCING ============== 7584.2 LDB: Largest compute 4821 load 0.029870 is 25.4% of average load 0.117719 LDB: Average compute 0.001720 is 1.5% of average load 0.117719 LDB: TIME 7584.21 LOAD: AVG 0.117719 MAX 0.178765 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 7584.21 LOAD: AVG 0.117719 MAX 0.178765 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: TIME 7584.21 LOAD: AVG 0.117719 MAX 0.178765 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: ============== END OF LOAD BALANCING =============== 7584.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7584.21 PRESSURE: 2612400 -231.147 -264.996 -62.2317 -264.995 -25.024 -51.4086 -62.2311 -51.409 -111.462 GPRESSURE: 2612400 -163.107 -266.736 -74.9566 -224.891 -76.7522 -107.103 -19.3827 -43.5864 -33.9461 PRESSAVG: 2612400 -78.6871 -45.6518 -48.3067 -45.6519 32.799 -41.1502 -48.3067 -41.1503 70.4164 GPRESSAVG: 2612400 -76.9925 -46.1351 -44.5693 -46.2679 31.5799 -43.0414 -51.2222 -40.9169 69.5565 TIMING: 2612400 CPU: 7581.04, 0.00295465/step Wall: 7581.04, 0.00295465/step, 1.95959 hours remaining, 207.160156 MB of memory in use. ENERGY: 2612400 729.1446 2143.5404 1961.2125 108.2871 -206318.1787 17621.0923 0.0000 0.0000 33953.7247 -149801.1770 296.5263 -183754.9017 -149699.2322 297.7359 -122.5441 -91.2683 557059.0727 8.1761 8.0480 PRESSURE: 2612600 98.8486 -65.6462 -68.4874 -65.6461 102.593 -28.9484 -68.4885 -28.9475 -142.626 GPRESSURE: 2612600 174.603 -89.6918 48.668 -50.8341 107.806 -46.2977 -163.577 -9.46425 -121.904 PRESSAVG: 2612600 -1.08822 -66.2574 -8.37828 -66.2574 0.311172 -14.8308 -8.37823 -14.8308 -0.251403 GPRESSAVG: 2612600 -2.82377 -67.6204 -9.35527 -67.1308 0.861019 -15.7467 -8.04977 -12.5842 1.70837 TIMING: 2612600 CPU: 7581.62, 0.00291314/step Wall: 7581.62, 0.00291314/step, 1.9319 hours remaining, 207.417969 MB of memory in use. ENERGY: 2612600 741.8574 2113.0199 1963.0990 120.6089 -206689.4343 17898.2322 0.0000 0.0000 34000.5072 -149852.1096 296.9349 -183852.6168 -149757.8998 297.5296 19.6051 53.5020 555542.3294 -0.3428 -0.0848 PRESSURE: 2612800 -10.1192 -49.8962 -152.764 -49.8968 80.1557 49.7676 -152.764 49.7677 56.7396 GPRESSURE: 2612800 -6.58445 -104.58 -199.861 -52.6756 139.502 84.0075 -88.6071 -5.23418 91.0158 PRESSAVG: 2612800 2.3993 3.56355 -54.8289 3.56352 2.14593 1.41168 -54.8288 1.41159 2.26506 GPRESSAVG: 2612800 3.0762 4.57626 -55.2701 5.3588 2.56478 1.9933 -54.053 -1.14262 0.911111 TIMING: 2612800 CPU: 7582.2, 0.00289899/step Wall: 7582.2, 0.00289899/step, 1.92235 hours remaining, 207.417969 MB of memory in use. ENERGY: 2612800 764.6935 2039.1409 1954.0871 128.1051 -206721.8816 18015.7789 0.0000 0.0000 33993.8144 -149826.2618 296.8764 -183820.0762 -149736.3426 297.2612 42.2587 74.6445 556168.1158 2.2701 2.1840 PRESSURE: 2613000 -9.92184 -43.2269 96.4852 -43.226 -114.4 34.9316 96.4848 34.9329 282.704 GPRESSURE: 2613000 50.1227 -80.0752 41.8424 60.9642 -92.6152 91.6679 196.176 15.6107 302.637 PRESSAVG: 2613000 4.01632 -42.8375 0.503611 -42.8375 52.9524 -35.269 0.503695 -35.2689 -71.5027 GPRESSAVG: 2613000 5.38726 -44.0419 -1.09931 -41.7097 51.3433 -34.7536 2.12653 -34.1887 -71.2158 TIMING: 2613000 CPU: 7582.78, 0.00288951/step Wall: 7582.78, 0.00288951/step, 1.9159 hours remaining, 207.417969 MB of memory in use. ENERGY: 2613000 708.7323 2088.9045 1934.9672 106.8944 -206552.0500 17862.6060 0.0000 0.0000 34212.5881 -149637.3575 298.7870 -183849.9456 -149543.4372 297.1410 52.7943 86.7149 554751.5610 -4.8447 -4.8284 PRESSURE: 2613200 -75.0362 -74.2942 -22.2617 -74.2945 97.0159 86.0479 -22.2609 86.0473 0.624338 GPRESSURE: 2613200 -46.2209 -65.5537 9.29211 -51.8363 174.203 139.408 -0.371374 50.4029 3.3993 PRESSAVG: 2613200 30.7787 -23.8194 -5.22192 -23.8194 -16.5713 37.2319 -5.22195 37.232 1.14496 GPRESSAVG: 2613200 29.4011 -24.6805 -4.68627 -25.7473 -15.2894 36.9928 -5.56881 35.4493 0.947718 TIMING: 2613200 CPU: 7583.36, 0.00290353/step Wall: 7583.36, 0.00290353/step, 1.92504 hours remaining, 207.417969 MB of memory in use. ENERGY: 2613200 717.7005 2087.8532 1960.5781 111.7355 -206750.2523 17935.7449 0.0000 0.0000 34330.3604 -149606.2796 299.8156 -183936.6401 -149512.0043 298.4925 7.5347 43.7939 556081.0085 5.1174 5.0198 PRESSURE: 2613400 100.403 7.33132 -80.0118 7.33109 -55.1618 99.3736 -80.0118 99.3718 105.492 GPRESSURE: 2613400 117.011 82.8203 -89.2374 -1.08358 -34.5066 94.5439 -122.286 103.607 162.475 PRESSAVG: 2613400 41.8034 -29.3232 -48.8503 -29.3232 -26.0511 -10.0464 -48.8503 -10.0463 -38.1921 GPRESSAVG: 2613400 42.8579 -30.9665 -48.4328 -25.8734 -27.6751 -9.5331 -48.9369 -7.91522 -37.749 TIMING: 2613400 CPU: 7583.94, 0.00290216/step Wall: 7583.94, 0.00290216/step, 1.92397 hours remaining, 207.417969 MB of memory in use. ENERGY: 2613400 725.4994 2079.7829 1980.2228 129.4167 -206770.3367 17847.8448 0.0000 0.0000 34398.2744 -149609.2958 300.4087 -184007.5702 -149517.9359 297.9741 50.2441 81.6598 554353.7073 -7.4799 -7.5221 PRESSURE: 2613600 -250.25 98.2626 -160.43 98.2636 89.8559 95.3578 -160.429 95.3574 213.642 GPRESSURE: 2613600 -205.832 75.2281 -128.133 103.335 121.662 81.0095 -149.971 77.0207 217.259 PRESSAVG: 2613600 -58.7846 -26.3044 -57.8803 -26.3045 52.8073 49.5573 -57.8802 49.5572 25.1505 GPRESSAVG: 2613600 -59.516 -22.6733 -58.0698 -28.2611 54.6557 49.3888 -58.6757 49.4217 23.9246 TIMING: 2613600 CPU: 7584.52, 0.00291042/step Wall: 7584.52, 0.00291042/step, 1.92929 hours remaining, 207.417969 MB of memory in use. ENERGY: 2613600 762.6168 2080.3838 1952.0649 98.9543 -206455.9402 17816.0680 0.0000 0.0000 34053.2781 -149692.5743 297.3957 -183745.8524 -149597.8101 297.9820 17.7493 44.3630 555784.6523 6.3911 6.3548 PRESSURE: 2613800 -93.8902 186.484 142.945 186.484 139.749 51.5897 142.945 51.5912 -3.68979 GPRESSURE: 2613800 -46.5484 153.21 182.105 195.436 183.078 -7.79256 56.3221 106.269 3.11567 PRESSAVG: 2613800 -26.8788 82.1606 12.4586 82.1605 -34.4498 4.55875 12.4586 4.55869 49.3001 GPRESSAVG: 2613800 -26.2996 80.7779 12.825 81.921 -36.0399 3.03188 11.4598 2.90901 50.4528 TIMING: 2613800 CPU: 7585.1, 0.0029026/step Wall: 7585.1, 0.0029026/step, 1.92394 hours remaining, 207.417969 MB of memory in use. ENERGY: 2613800 764.5263 2057.3787 1969.1567 119.0049 -206760.0964 17971.3167 0.0000 0.0000 34336.7706 -149541.9424 299.8716 -183878.7131 -149446.1878 298.2888 14.0565 46.5484 555935.7264 -4.0095 -3.9622 PRESSURE: 2614000 -170.946 -46.539 43.4171 -46.5374 -129.982 66.3299 43.4181 66.3301 -212.002 GPRESSURE: 2614000 -103.855 -33.5848 -11.7713 -105.121 -109.958 34.2776 89.2614 73.833 -202.209 PRESSAVG: 2614000 16.3267 -49.5693 23.9808 -49.5694 70.7352 38.4742 23.9807 38.4744 -39.8755 GPRESSAVG: 2614000 17.0625 -47.868 24.3525 -49.8305 70.9636 41.3236 24.4933 36.9835 -40.6982 TIMING: 2614000 CPU: 7585.68, 0.00289964/step Wall: 7585.68, 0.00289964/step, 1.92182 hours remaining, 207.675781 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: 2614000 761.5721 2134.4659 1932.2477 96.2221 -206173.1754 17440.0018 0.0000 0.0000 34365.6191 -149443.0467 300.1235 -183808.6657 -149355.0697 299.7595 -170.9765 -138.6741 553912.9351 15.7288 15.7759 PRESSURE: 2614200 -14.3288 -43.3584 -7.72781 -43.3582 -98.0388 224.582 -7.72865 224.581 115.275 GPRESSURE: 2614200 -49.646 -71.4744 -55.1038 24.8238 -19.3211 234.868 -17.8194 259.54 169.573 PRESSAVG: 2614200 -19.8344 63.7058 1.48876 63.7057 5.90461 32.3652 1.48881 32.3653 36.7136 GPRESSAVG: 2614200 -19.6091 63.2198 -0.751169 62.6191 6.19218 32.5303 2.74348 33.6412 36.2625 TIMING: 2614200 CPU: 7586.26, 0.00290357/step Wall: 7586.26, 0.00290357/step, 1.92426 hours remaining, 207.675781 MB of memory in use. ENERGY: 2614200 756.8977 2068.4896 1959.4457 111.1081 -206144.2626 17705.3396 0.0000 0.0000 34329.9155 -149213.0664 299.8117 -183542.9820 -149115.9401 299.5761 0.9691 33.5354 557289.0373 7.5946 7.6152 PRESSURE: 2614400 -11.6784 -152.832 -97.515 -152.833 78.1526 -13.4184 -97.5159 -13.4188 -192.98 GPRESSURE: 2614400 1.53002 -181.166 -4.08971 -111.149 86.0325 36.3028 -115.424 -48.8464 -115.241 PRESSAVG: 2614400 -28.7139 1.44386 14.5229 1.44392 -23.7658 16.4082 14.5228 16.4083 70.1914 GPRESSAVG: 2614400 -28.3577 -0.407082 16.257 4.35182 -24.9143 14.9981 14.4423 16.0805 71.0976 TIMING: 2614400 CPU: 7586.85, 0.00292357/step Wall: 7586.85, 0.00292357/step, 1.93735 hours remaining, 207.675781 MB of memory in use. ENERGY: 2614400 750.8315 2085.8355 1955.1454 109.4418 -206353.7012 17839.9166 0.0000 0.0000 34311.1116 -149301.4188 299.6475 -183612.5304 -149201.3717 299.1604 -42.1687 -9.2261 556896.4781 5.9039 5.9419 PRESSURE: 2614600 195.567 -22.396 -102.2 -22.3961 7.71393 -111.306 -102.2 -111.306 141.461 GPRESSURE: 2614600 214.576 -27.2719 -104.02 -1.78522 54.8782 -121.165 -78.8519 -36.6462 163.071 PRESSAVG: 2614600 -26.144 -16.95 56.8211 -16.9501 -19.8668 10.2266 56.821 10.2266 37.8909 GPRESSAVG: 2614600 -26.2177 -17.419 56.6282 -17.03 -18.9308 10.1871 54.8319 10.2691 37.0471 TIMING: 2614600 CPU: 7587.43, 0.002917/step Wall: 7587.43, 0.002917/step, 1.93284 hours remaining, 207.675781 MB of memory in use. ENERGY: 2614600 766.6324 2154.1133 1976.6068 127.6998 -206496.8991 18051.6950 0.0000 0.0000 34172.5136 -149247.6382 298.4371 -183420.1518 -149153.9570 299.2068 114.9140 144.1750 557163.9946 -2.7066 -2.7005 PRESSURE: 2614800 124.756 83.3862 -2.20917 83.386 -290.375 -54.1382 -2.20867 -54.1391 10.0291 GPRESSURE: 2614800 156.48 9.32147 95.0965 58.6139 -256.853 -104.961 -16.8467 -2.96392 28.528 PRESSAVG: 2614800 -29.4263 -26.847 12.7082 -26.8471 -7.35288 3.91104 12.7081 3.91103 68.4238 GPRESSAVG: 2614800 -29.4592 -23.0192 13.3937 -29.5703 -7.63434 2.02096 13.6763 6.14798 68.4766 TIMING: 2614800 CPU: 7588.01, 0.00290265/step Wall: 7588.01, 0.00290265/step, 1.92317 hours remaining, 207.675781 MB of memory in use. ENERGY: 2614800 769.6211 2072.7875 1948.1102 121.5616 -206180.4897 17845.5233 0.0000 0.0000 34306.2348 -149116.6512 299.6049 -183422.8860 -149016.7371 298.8611 -51.8633 -23.9483 557962.8406 10.5482 10.4610 PRESSURE: 2615000 -12.1679 -0.431944 4.69336 -0.43282 -112.64 -82.4783 4.69323 -82.4794 -20.6709 GPRESSURE: 2615000 34.9276 9.53266 30.6719 69.4739 -66.8503 -68.938 30.404 -70.9345 -24.9195 PRESSAVG: 2615000 34.484 14.7948 7.2511 14.7948 45.7571 -37.1863 7.25106 -37.1861 -69.5519 GPRESSAVG: 2615000 33.2764 13.1133 6.10935 15.6472 46.6554 -36.2074 8.38907 -37.7323 -69.5015 TIMING: 2615000 CPU: 7588.59, 0.00290602/step Wall: 7588.59, 0.00290602/step, 1.92524 hours remaining, 207.675781 MB of memory in use. ENERGY: 2615000 735.8080 2108.0859 1993.2746 121.0073 -206179.4884 17749.7704 0.0000 0.0000 34402.5727 -149068.9694 300.4462 -183471.5422 -148977.3373 299.2644 -48.4929 -18.9474 557017.2514 3.5631 3.4768 PRESSURE: 2615200 -179.29 58.0757 -123.368 58.0766 -106.503 17.8955 -123.366 17.8943 -100.206 GPRESSURE: 2615200 -186.618 -87.5891 -148.498 121.685 -18.5292 81.6534 -85.1277 -99.7337 -83.1086 PRESSAVG: 2615200 -33.8726 -75.7284 -33.9071 -75.7284 19.3667 -9.1005 -33.9071 -9.10049 6.57062 GPRESSAVG: 2615200 -34.016 -75.6292 -33.9837 -77.5604 19.032 -10.5001 -32.3562 -9.77471 7.18468 TIMING: 2615200 CPU: 7589.17, 0.00289126/step Wall: 7589.17, 0.00289126/step, 1.9153 hours remaining, 207.675781 MB of memory in use. ENERGY: 2615200 715.1318 2112.4196 1939.7597 109.4239 -205821.9580 17492.6779 0.0000 0.0000 34405.1678 -149047.3774 300.4689 -183452.5452 -148950.5487 299.1217 -128.6663 -96.0853 557484.9329 -2.6451 -2.5998 PRESSURE: 2615400 -7.53979 -238.781 -216.218 -238.783 -73.3973 3.18538 -216.218 3.18643 -193.805 GPRESSURE: 2615400 5.82814 -261.519 -150.781 -90.8174 -18.8888 -43.7915 -242.35 -20.8537 -165.853 PRESSAVG: 2615400 16.6135 -57.0669 -33.9945 -57.0669 26.5156 -2.07064 -33.9945 -2.07054 -38.2859 GPRESSAVG: 2615400 16.7505 -57.091 -33.5626 -55.3285 25.8101 -0.0480973 -36.0861 -1.91739 -37.7273 TIMING: 2615400 CPU: 7589.75, 0.00290251/step Wall: 7589.75, 0.00290251/step, 1.92259 hours remaining, 207.675781 MB of memory in use. ENERGY: 2615400 771.6215 2085.5940 1958.4678 122.3586 -205628.8300 17469.9155 0.0000 0.0000 34352.6226 -148868.2499 300.0100 -183220.8725 -148771.4441 299.9030 -91.5807 -59.6379 558135.1273 1.6144 1.6111 PRESSURE: 2615600 -345.871 73.2391 -147.888 73.2395 23.5301 -26.68 -147.889 -26.6799 149.762 GPRESSURE: 2615600 -334.906 -6.97828 -49.1746 102.46 16.8636 -122.968 -150.069 23.6969 245.224 PRESSAVG: 2615600 -111.539 -33.1179 -25.7494 -33.1178 44.3297 -3.63727 -25.7493 -3.63728 44.8488 GPRESSAVG: 2615600 -110.802 -33.7326 -26.1316 -32.8326 43.2435 -5.22631 -24.0289 -2.84019 45.4137 TIMING: 2615600 CPU: 7590.34, 0.00292855/step Wall: 7590.34, 0.00292855/step, 1.93968 hours remaining, 207.675781 MB of memory in use. ENERGY: 2615600 774.8082 2096.8669 1973.2805 110.5801 -205991.2915 17719.8669 0.0000 0.0000 34356.7908 -148959.0981 300.0464 -183315.8890 -148863.6192 300.2590 -57.5264 -24.2728 558216.1656 -7.4536 -7.3816 PRESSURE: 2615800 -158.872 -28.0336 -53.7978 -28.034 -82.6055 -43.2098 -53.7982 -43.2086 190.082 GPRESSURE: 2615800 -118.507 11.3519 -103.722 -73.7677 -4.51073 -43.8823 -4.35158 -62.215 182.952 PRESSAVG: 2615800 -70.5582 -1.45572 -15.0331 -1.45574 -3.42506 -34.3906 -15.0331 -34.3906 80.8189 GPRESSAVG: 2615800 -72.3217 -0.435968 -13.8863 -2.85957 -1.20001 -33.3011 -15.8571 -34.7165 80.9882 TIMING: 2615800 CPU: 7590.92, 0.00290398/step Wall: 7590.92, 0.00290398/step, 1.92324 hours remaining, 207.675781 MB of memory in use. ENERGY: 2615800 728.0077 2172.4340 1973.1528 105.6849 -206075.0821 17780.3173 0.0000 0.0000 34312.8832 -149002.6023 299.6629 -183315.4855 -148903.0284 299.8055 -17.1318 19.9781 557756.2454 2.2786 2.4888 PRESSURE: 2616000 -216.743 -31.309 -95.6623 -31.3082 -200.97 -22.3333 -95.6606 -22.3348 -19.3321 GPRESSURE: 2616000 -193.134 -60.2047 -71.2179 -86.712 -148.753 39.6231 -95.1962 -110.622 3.44057 PRESSAVG: 2616000 -100.572 -33.6849 -25.8128 -33.6848 28.4249 -23.3645 -25.8127 -23.3644 105.59 GPRESSAVG: 2616000 -99.6961 -32.863 -25.7433 -32.6362 27.8471 -22.2986 -25.6083 -24.57 105.37 TIMING: 2616000 CPU: 7591.5, 0.00289769/step Wall: 7591.5, 0.00289769/step, 1.91891 hours remaining, 207.691406 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 771.5139 2143.7119 1951.7555 115.8397 -205978.4925 17666.3889 0.0000 0.0000 34480.4359 -148848.8466 301.1262 -183329.2825 -148750.6463 300.1765 -145.6819 -112.8154 558550.4910 11.1477 11.1738 PRESSURE: 2616200 198.87 -2.2171 113.809 -2.21838 -49.9278 116.093 113.808 116.093 -193.959 GPRESSURE: 2616200 233.806 38.008 80.6712 27.4724 -14.0673 96.7269 129.739 150.589 -163.316 PRESSAVG: 2616200 6.68509 78.8247 11.1263 78.8246 38.2876 19.7627 11.1263 19.7628 5.26292 GPRESSAVG: 2616200 8.61326 76.4927 9.22012 79.5128 37.5332 20.345 11.0719 18.6726 4.5219 TIMING: 2616200 CPU: 7592.08, 0.00290675/step Wall: 7592.08, 0.00290675/step, 1.92476 hours remaining, 207.691406 MB of memory in use. ENERGY: 2616200 764.6200 2134.7194 1963.7464 121.4033 -205833.8673 17806.6629 0.0000 0.0000 34253.7687 -148788.9466 299.1467 -183042.7153 -148694.7040 300.5312 -15.0055 18.8074 558210.6154 16.7452 16.8895 LDB: ============= START OF LOAD BALANCING ============== 7595.54 LDB: ============== END OF LOAD BALANCING =============== 7595.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7595.54 LDB: ============= START OF LOAD BALANCING ============== 7595.84 LDB: Largest compute 4821 load 0.031312 is 26.6% of average load 0.117706 LDB: Average compute 0.001718 is 1.5% of average load 0.117706 LDB: TIME 7595.84 LOAD: AVG 0.117706 MAX 0.178234 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.09 MB LDB: TIME 7595.84 LOAD: AVG 0.117706 MAX 0.178234 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: TIME 7595.84 LOAD: AVG 0.117706 MAX 0.178234 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7595.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7595.84 PRESSURE: 2616400 188.789 94.0333 58.3816 94.0337 -50.0118 105.304 58.3832 105.303 154.898 GPRESSURE: 2616400 187.196 82.1482 48.9237 134.938 9.47459 113.543 80.0219 56.3457 189.266 PRESSAVG: 2616400 -74.5635 13.5581 82.9001 13.5581 -8.43399 25.88 82.9001 25.88 53.2807 GPRESSAVG: 2616400 -75.1766 13.2727 83.2078 12.9789 -8.76568 26.6147 82.1459 26.4042 53.9809 TIMING: 2616400 CPU: 7592.67, 0.00295385/step Wall: 7592.67, 0.00295385/step, 1.95578 hours remaining, 208.511719 MB of memory in use. ENERGY: 2616400 753.4222 2105.4036 1979.9268 103.2501 -205919.7716 17902.8206 0.0000 0.0000 34129.3728 -148945.5754 298.0603 -183074.9482 -148850.0373 299.3959 97.8919 128.6458 558406.2495 -9.9056 -9.9871 PRESSURE: 2616600 157.361 -250.743 -56.516 -250.744 -36.238 77.8714 -56.5172 77.8719 117.865 GPRESSURE: 2616600 190.185 -247.288 -39.65 -255.222 -12.2702 42.4942 -59.0491 121.787 145.638 PRESSAVG: 2616600 -7.5883 -31.6391 5.5507 -31.6391 -11.8109 7.85144 5.55082 7.8514 38.8268 GPRESSAVG: 2616600 -9.18896 -31.4855 6.48496 -33.4403 -10.5227 5.9665 4.54437 9.87484 38.9455 TIMING: 2616600 CPU: 7593.25, 0.00291542/step Wall: 7593.25, 0.00291542/step, 1.93017 hours remaining, 208.582031 MB of memory in use. ENERGY: 2616600 766.2530 2120.6176 1969.1449 107.4015 -205855.5996 17771.8219 0.0000 0.0000 34132.0469 -148988.3139 298.0837 -183120.3608 -148893.9558 299.7898 79.6624 107.8506 558084.6226 6.4759 6.4113 PRESSURE: 2616800 -223.341 153.427 16.0214 153.427 -22.5108 106.771 16.0201 106.772 -13.0566 GPRESSURE: 2616800 -239.303 171.838 116.703 67.1635 -3.21595 210.821 61.5897 45.6942 80.374 PRESSAVG: 2616800 -85.1536 4.65506 -1.83208 4.65514 -13.184 28.2566 -1.83205 28.2567 95.5745 GPRESSAVG: 2616800 -83.0336 4.54156 0.0483383 5.65135 -14.0178 28.1641 -0.388905 26.7836 94.8525 TIMING: 2616800 CPU: 7593.84, 0.00292122/step Wall: 7593.84, 0.00292122/step, 1.93385 hours remaining, 208.582031 MB of memory in use. ENERGY: 2616800 748.7364 2166.1955 1979.6691 113.3324 -206163.2104 17643.7045 0.0000 0.0000 34175.0391 -149336.5334 298.4591 -183511.5725 -149242.0028 299.3583 -86.3026 -54.0484 556666.6111 -0.9211 -0.7330 PRESSURE: 2617000 -377.448 -121.239 85.6472 -121.241 -238.724 -15.6859 85.6463 -15.6856 43.5925 GPRESSURE: 2617000 -310.888 -88.0509 69.7904 -194.782 -198.92 -55.314 47.4793 -58.1631 35.1031 PRESSAVG: 2617000 34.1512 -13.374 15.3611 -13.3739 -14.7913 43.7945 15.3611 43.7944 39.3045 GPRESSAVG: 2617000 33.7432 -13.75 13.7984 -14.399 -14.7432 43.779 15.6033 44.3571 39.3614 TIMING: 2617000 CPU: 7594.42, 0.00292086/step Wall: 7594.42, 0.00292086/step, 1.93344 hours remaining, 208.582031 MB of memory in use. ENERGY: 2617000 756.3426 2045.6308 1966.0365 107.6624 -206149.0254 17526.9154 0.0000 0.0000 34146.7067 -149599.7309 298.2117 -183746.4376 -149497.9294 298.3869 -190.8596 -158.2350 556959.9678 19.5548 19.4538 PRESSURE: 2617200 44.1622 57.0599 11.6629 57.0593 21.8047 55.0434 11.6627 55.0442 -115.286 GPRESSURE: 2617200 109.024 51.4065 9.5926 53.6157 89.4681 84.6624 -22.3061 52.8441 -146.791 PRESSAVG: 2617200 0.9595 44.0788 28.9657 44.0789 14.4778 -9.08389 28.9655 -9.08391 -49.6098 GPRESSAVG: 2617200 0.809826 44.5167 30.5713 44.0539 14.0424 -8.61981 26.9189 -8.12199 -48.5622 TIMING: 2617200 CPU: 7595, 0.00290067/step Wall: 7595, 0.00290067/step, 1.91992 hours remaining, 208.582031 MB of memory in use. ENERGY: 2617200 754.4304 2082.1060 1942.0003 115.8365 -206287.5270 17799.4869 0.0000 0.0000 34046.6615 -149547.0053 297.3380 -183593.6668 -149449.5354 297.8252 -16.4397 17.2337 557557.7481 -11.3908 -11.2366 PRESSURE: 2617400 -109.62 89.8533 35.5062 89.8531 42.1868 102.618 35.5061 102.619 89.0764 GPRESSURE: 2617400 -31.4984 67.0457 21.1539 62.0918 62.5329 117.003 60.6751 136.33 80.4289 PRESSAVG: 2617400 -29.4143 16.3551 15.2634 16.3552 -10.986 -34.1824 15.2634 -34.1823 19.3777 GPRESSAVG: 2617400 -29.3516 16.2119 12.7331 17.7271 -9.3439 -34.9976 17.9104 -36.274 17.598 TIMING: 2617400 CPU: 7595.58, 0.0029022/step Wall: 7595.58, 0.0029022/step, 1.92077 hours remaining, 208.582031 MB of memory in use. ENERGY: 2617400 747.2360 2134.1239 1982.5851 103.3188 -206439.9405 17770.6323 0.0000 0.0000 34224.9421 -149477.1024 298.8949 -183702.0445 -149382.3193 298.6810 7.2143 37.1545 555843.6260 -7.0075 -7.0325 PRESSURE: 2617600 -173.733 18.4063 83.3504 18.4076 92.3963 102.771 83.3504 102.771 -176.846 GPRESSURE: 2617600 -188.149 -31.9307 142.895 27.3366 110.335 28.5348 31.701 195.78 -81.7846 PRESSAVG: 2617600 -54.3058 -28.2452 -8.02387 -28.2452 40.4701 29.4753 -8.02386 29.4755 75.8786 GPRESSAVG: 2617600 -54.1938 -27.9079 -5.89134 -29.5292 39.5068 29.9853 -9.94881 30.3601 76.8103 TIMING: 2617600 CPU: 7596.16, 0.00290341/step Wall: 7596.16, 0.00290341/step, 1.92141 hours remaining, 208.582031 MB of memory in use. ENERGY: 2617600 731.9296 2079.2665 1951.7051 108.6725 -206042.8719 17577.9236 0.0000 0.0000 34137.7322 -149455.6425 298.1333 -183593.3747 -149352.7452 298.9325 -86.0610 -53.1993 557443.5780 20.6809 20.7078 PRESSURE: 2617800 19.581 1.88196 36.3993 1.88216 21.7877 -102.577 36.4002 -102.577 150.009 GPRESSURE: 2617800 23.2164 95.3645 28.4098 -80.6139 42.1035 -84.8014 -27.2187 -109.131 228.829 PRESSAVG: 2617800 -69.0952 -53.8647 52.9607 -53.8647 2.86745 2.98681 52.9608 2.98683 64.8737 GPRESSAVG: 2617800 -69.5745 -52.3115 52.0089 -53.5016 3.201 1.85893 52.1391 4.30562 65.1877 TIMING: 2617800 CPU: 7596.75, 0.00291945/step Wall: 7596.75, 0.00291945/step, 1.93186 hours remaining, 208.582031 MB of memory in use. ENERGY: 2617800 731.3461 2050.4510 1959.7632 115.0265 -206521.2031 17872.3146 0.0000 0.0000 34233.2783 -149559.0234 298.9677 -183792.3017 -149465.6109 298.8555 63.7926 98.0497 556013.4512 -0.4513 -0.3952 PRESSURE: 2618000 218.141 1.3132 42.5567 1.31347 -245.355 -67.4696 42.5556 -67.4706 -197.413 GPRESSURE: 2618000 257.843 63.9464 -29.2656 -138.955 -174.04 -95.6217 58.4962 -19.0056 -198.268 PRESSAVG: 2618000 14.4521 -24.1675 -36.9557 -24.1675 7.9525 25.1367 -36.9557 25.1367 -26.5328 GPRESSAVG: 2618000 15.1971 -26.5572 -38.9651 -23.4303 7.41545 26.361 -33.3679 23.031 -26.4436 TIMING: 2618000 CPU: 7597.33, 0.00289812/step Wall: 7597.33, 0.00289812/step, 1.91759 hours remaining, 208.582031 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: 2618000 734.5740 2070.2857 1940.1835 111.7746 -206168.0333 17671.4718 0.0000 0.0000 34122.3449 -149517.3989 297.9989 -183639.7438 -149421.0947 298.5752 -74.8755 -38.1547 557719.1577 -1.3761 -1.2770 PRESSURE: 2618200 83.755 89.2382 -127.677 89.2378 50.1986 2.42086 -127.678 2.42034 31.1502 GPRESSURE: 2618200 125.511 86.9869 -166.931 140.47 96.9724 96.0221 -82.8135 -82.6975 53.2223 PRESSAVG: 2618200 39.8196 6.43674 4.34233 6.43678 -54.5846 -24.6108 4.34234 -24.6109 36.1207 GPRESSAVG: 2618200 39.6263 7.61053 6.2078 6.31317 -54.9433 -23.8584 2.85292 -24.928 36.1944 TIMING: 2618200 CPU: 7597.91, 0.00290641/step Wall: 7597.91, 0.00290641/step, 1.92291 hours remaining, 208.582031 MB of memory in use. ENERGY: 2618200 751.2169 2068.0523 1961.3108 121.8101 -206539.0350 17913.1193 0.0000 0.0000 34179.1402 -149544.3853 298.4949 -183723.5255 -149443.6423 298.5099 55.0346 91.9018 557332.0562 7.1186 6.9591 PRESSURE: 2618400 -177.534 186.597 45.3944 186.598 -311.306 44.8306 45.3945 44.8306 -126.089 GPRESSURE: 2618400 -166.518 250.818 -11.3579 100.355 -250.687 56.7123 58.118 51.3363 -89.5995 PRESSAVG: 2618400 -26.9473 35.3097 -37.6234 35.3098 -0.957936 -23.3823 -37.6235 -23.3823 34.5899 GPRESSAVG: 2618400 -28.0959 33.0904 -36.201 35.7716 1.19954 -24.0973 -39.0591 -21.9003 34.0197 TIMING: 2618400 CPU: 7598.49, 0.00290233/step Wall: 7598.49, 0.00290233/step, 1.92005 hours remaining, 208.582031 MB of memory in use. ENERGY: 2618400 791.2598 2056.1411 1985.9197 121.0260 -206047.5492 17463.1085 0.0000 0.0000 34258.1427 -149371.9514 299.1849 -183630.0941 -149273.7343 299.0931 -204.9762 -168.9347 556480.8078 2.2282 2.3745 PRESSURE: 2618600 -136.996 54.1412 -9.79377 54.1404 -93.8493 132.425 -9.7929 132.424 -396.591 GPRESSURE: 2618600 -98.4131 45.669 24.7299 38.383 -95.7911 21.3011 4.20985 148.426 -326.918 PRESSAVG: 2618600 -5.09916 -17.8213 34.9461 -17.8213 80.8438 -14.2763 34.9461 -14.2763 -51.3253 GPRESSAVG: 2618600 -5.13012 -16.778 33.7039 -17.4784 79.8425 -15.0077 37.6352 -14.9472 -51.3506 TIMING: 2618600 CPU: 7599.07, 0.00291311/step Wall: 7599.07, 0.00291311/step, 1.92702 hours remaining, 208.582031 MB of memory in use. ENERGY: 2618600 776.1100 2097.5423 1968.3074 112.9422 -205903.9371 17513.5148 0.0000 0.0000 34221.4905 -149214.0300 298.8648 -183435.5205 -149122.1116 299.1785 -209.1455 -173.7075 556585.8960 8.1398 7.7873 PRESSURE: 2618800 -278.801 -76.4045 -22.196 -76.4042 14.394 1.55017 -22.1961 1.55035 -23.7218 GPRESSURE: 2618800 -311.469 -71.0787 -71.1342 -93.0092 70.068 96.1193 64.7681 -59.9124 56.2835 PRESSAVG: 2618800 -25.6787 -51.1291 -12.6874 -51.1291 47.7027 -4.00564 -12.6875 -4.00567 -13.9292 GPRESSAVG: 2618800 -24.7848 -50.5765 -12.554 -53.0093 46.9515 -2.51258 -16.1948 -2.20023 -13.8917 TIMING: 2618800 CPU: 7599.65, 0.00291317/step Wall: 7599.65, 0.00291317/step, 1.9269 hours remaining, 208.582031 MB of memory in use. ENERGY: 2618800 761.1194 2085.3227 1963.7954 109.9175 -206133.5598 17673.8487 0.0000 0.0000 34191.1815 -149348.3746 298.6001 -183539.5561 -149256.9299 298.9638 -96.0430 -61.7059 558229.3424 2.6983 2.7583 PRESSURE: 2619000 63.3222 109.784 46.8038 109.783 -17.3503 -13.702 46.8041 -13.7009 -170.592 GPRESSURE: 2619000 51.4811 148.792 -64.7617 112.263 40.3005 7.89997 30.5268 -46.8427 -106.06 PRESSAVG: 2619000 -10.0117 -41.7112 57.7647 -41.7113 -57.9444 -28.7986 57.7647 -28.7987 38.1224 GPRESSAVG: 2619000 -10.7153 -42.5268 59.1355 -41.0746 -58.0308 -28.7976 59.1319 -28.7931 39.0477 TIMING: 2619000 CPU: 7600.23, 0.00288154/step Wall: 7600.23, 0.00288154/step, 1.90582 hours remaining, 208.582031 MB of memory in use. ENERGY: 2619000 745.0003 2108.0642 1950.5806 119.8534 -206203.5807 17770.6314 0.0000 0.0000 34427.9328 -149081.5179 300.6677 -183509.4507 -148988.9891 299.4749 -41.5401 -4.7594 558119.0104 -9.9446 -9.8995 PRESSURE: 2619200 -108.944 -135.469 37.8197 -135.47 -1.72025 117.813 37.8192 117.813 81.1814 GPRESSURE: 2619200 -117.493 -167.465 29.8361 -103.595 45.4487 140.293 -35.253 134.245 138.812 PRESSAVG: 2619200 15.9091 8.89819 29.033 8.89821 -27.6908 4.47264 29.0331 4.47253 29.9813 GPRESSAVG: 2619200 16.4438 9.2521 26.9959 10.265 -28.1348 5.196 28.776 3.03917 29.7111 TIMING: 2619200 CPU: 7600.81, 0.00291974/step Wall: 7600.81, 0.00291974/step, 1.93092 hours remaining, 208.582031 MB of memory in use. ENERGY: 2619200 725.7262 2169.6366 1959.6883 107.7678 -205694.8433 17612.3599 0.0000 0.0000 34197.8399 -148921.8246 298.6582 -183119.6645 -148826.3110 299.1494 -9.8275 22.2557 558133.6718 6.0665 6.0067 PRESSURE: 2619400 -57.2789 209.829 -32.8792 209.828 -1.86779 -51.466 -32.8794 -51.465 144.338 GPRESSURE: 2619400 4.26831 155.297 -63.8204 193.165 14.7863 -30.2862 -32.7502 -57.4747 176.937 PRESSAVG: 2619400 40.0064 22.8325 -14.2897 22.8323 -90.9478 1.14369 -14.2897 1.14378 16.4576 GPRESSAVG: 2619400 39.9274 24.5112 -12.3215 20.3007 -90.4297 -0.511801 -14.3444 1.41136 15.9564 TIMING: 2619400 CPU: 7601.4, 0.00291663/step Wall: 7601.4, 0.00291663/step, 1.9287 hours remaining, 208.582031 MB of memory in use. ENERGY: 2619400 762.8816 2119.9533 1965.2810 121.7798 -206354.2015 17783.6178 0.0000 0.0000 34666.1298 -148934.5582 302.7479 -183600.6881 -148833.7370 300.0404 28.3970 65.3305 556898.5952 -11.4946 -11.5153 PRESSURE: 2619600 151.127 -42.856 -85.0321 -42.8569 -112.435 110.824 -85.0315 110.826 39.4864 GPRESSURE: 2619600 175.915 -44.2401 -108.255 -44.61 -93.5925 198.988 -67.4145 -22.1452 95.7631 PRESSAVG: 2619600 -5.22787 18.4194 -19.842 18.4195 4.25961 6.85752 -19.842 6.85749 -12.0399 GPRESSAVG: 2619600 -5.28322 15.1762 -20.1578 22.2404 4.24916 6.40351 -20.2596 6.60838 -12.0146 TIMING: 2619600 CPU: 7601.98, 0.00290678/step Wall: 7601.98, 0.00290678/step, 1.92203 hours remaining, 208.582031 MB of memory in use. ENERGY: 2619600 746.3715 2123.7094 1956.5865 107.6874 -206215.2171 17933.6328 0.0000 0.0000 34304.8695 -149042.3601 299.5930 -183347.2295 -148944.1950 300.3621 26.0594 59.3619 556746.4689 -4.3361 -4.3496 PRESSURE: 2619800 -115.722 -123.094 35.751 -123.095 -216.478 -83.3812 35.7509 -83.3801 -139.811 GPRESSURE: 2619800 -89.7229 -149.068 -54.1022 -101.071 -244.666 -107.309 70.586 -25.97 -39.5601 PRESSAVG: 2619800 -12.3908 2.21835 -12.2937 2.2182 -43.7339 4.84306 -12.2938 4.84307 -2.04779 GPRESSAVG: 2619800 -14.1687 3.05348 -14.2391 0.362716 -43.5154 3.83159 -11.0493 5.94349 -0.83401 TIMING: 2619800 CPU: 7602.56, 0.00291591/step Wall: 7602.56, 0.00291591/step, 1.9279 hours remaining, 208.582031 MB of memory in use. ENERGY: 2619800 758.6772 2064.2438 1983.9851 113.1541 -206057.5050 17546.5731 0.0000 0.0000 34367.3873 -149223.4844 300.1389 -183590.8717 -149124.1272 300.2405 -157.3371 -124.6497 556491.6945 -19.3908 -19.5060 PRESSURE: 2620000 -77.6839 -29.5961 75.6956 -29.5958 -336.02 -106.793 75.6943 -106.793 163.954 GPRESSURE: 2620000 14.4664 93.8425 52.386 -107.248 -338.105 -54.5449 -2.12347 -47.7977 178.39 PRESSAVG: 2620000 14.5526 14.2042 16.8989 14.2041 13.0141 39.301 16.8989 39.3009 -16.2967 GPRESSAVG: 2620000 15.5903 14.6853 18.7017 15.2246 13.0524 39.3912 15.6112 40.385 -17.5038 TIMING: 2620000 CPU: 7603.14, 0.00290876/step Wall: 7603.14, 0.00290876/step, 1.92301 hours remaining, 208.582031 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: 2620000 757.9254 2104.3242 1994.5027 113.5190 -206509.8852 17935.1692 0.0000 0.0000 34411.0971 -149193.3476 300.5207 -183604.4448 -149092.7830 299.0216 -83.2501 -48.4163 558227.3280 3.7567 3.7130 PRESSURE: 2620200 -47.5507 75.8657 -55.3608 75.8649 293.237 -152.173 -55.3615 -152.173 29.5082 GPRESSURE: 2620200 -0.912729 2.17105 77.3071 98.3191 364.809 -205.228 -63.6392 -92.1117 16.2205 PRESSAVG: 2620200 20.1872 30.3315 33.7144 30.3314 9.30978 -45.4862 33.7143 -45.486 -1.21465 GPRESSAVG: 2620200 20.2989 30.6953 31.6389 28.9206 9.26508 -44.3268 35.857 -48.0833 -1.13831 TIMING: 2620200 CPU: 7603.72, 0.00288914/step Wall: 7603.72, 0.00288914/step, 1.90988 hours remaining, 208.582031 MB of memory in use. ENERGY: 2620200 757.4217 2065.4723 1959.3333 114.7397 -206481.8694 18045.2435 0.0000 0.0000 34201.3930 -149338.2658 298.6893 -183539.6588 -149242.2390 299.3472 91.7314 126.7055 557998.1101 9.4274 9.4752 LDB: ============= START OF LOAD BALANCING ============== 7607.18 LDB: ============== END OF LOAD BALANCING =============== 7607.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7607.19 LDB: ============= START OF LOAD BALANCING ============== 7607.48 LDB: Largest compute 4821 load 0.032328 is 27.4% of average load 0.117784 LDB: Average compute 0.001722 is 1.5% of average load 0.117784 LDB: TIME 7607.48 LOAD: AVG 0.117784 MAX 0.1786 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 7607.48 LOAD: AVG 0.117784 MAX 0.1786 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 7607.48 LOAD: AVG 0.117784 MAX 0.1786 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 7607.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7607.49 PRESSURE: 2620400 -87.8052 80.9224 -118.779 80.9225 51.9926 -31.2161 -118.78 -31.2171 -77.3387 GPRESSURE: 2620400 -78.4907 88.1356 -26.209 61.1029 113.297 -77.0947 -130.945 -17.5657 -54.3527 PRESSAVG: 2620400 -9.73796 38.1162 54.7573 38.1162 14.7997 0.701398 54.7572 0.701388 -10.7323 GPRESSAVG: 2620400 -9.34235 38.3617 55.7021 38.7728 14.0427 -0.381694 52.2682 2.90001 -11.0764 TIMING: 2620400 CPU: 7604.31, 0.00295259/step Wall: 7604.31, 0.00295259/step, 1.95166 hours remaining, 206.210938 MB of memory in use. ENERGY: 2620400 748.1932 2128.8177 1973.0821 102.8787 -206129.8161 17735.4430 0.0000 0.0000 34178.9413 -149262.4600 298.4932 -183441.4013 -149162.3158 298.9783 -37.7171 -6.5156 557887.1320 -1.8902 -2.1253 PRESSURE: 2620600 -204.643 -121.43 -55.2803 -121.43 -14.3677 -50.5434 -55.2799 -50.5427 -72.7038 GPRESSURE: 2620600 -162.611 -94.9597 -56.9523 -118.842 5.15792 -81.4635 -15.436 -107.831 -32.7029 PRESSAVG: 2620600 1.78597 19.106 29.2773 19.106 26.0962 -37.0104 29.2773 -37.0104 1.53051 GPRESSAVG: 2620600 1.19361 17.9657 29.5901 18.1924 26.4549 -36.3855 30.215 -37.3121 2.11023 TIMING: 2620600 CPU: 7604.89, 0.00289462/step Wall: 7604.89, 0.00289462/step, 1.91318 hours remaining, 206.617188 MB of memory in use. ENERGY: 2620600 778.8788 2093.5426 1976.3542 116.9688 -205909.1802 17471.9390 0.0000 0.0000 34149.1154 -149322.3813 298.2327 -183471.4968 -149223.1057 298.4106 -97.2381 -63.3853 556965.9072 9.8042 9.9196 PRESSURE: 2620800 -221.763 37.7526 -10.5032 37.7521 -215.379 84.3627 -10.5027 84.3625 68.0643 GPRESSURE: 2620800 -184.724 13.8008 22.8277 27.3561 -240.095 -15.4687 7.93373 31.2868 154.02 PRESSAVG: 2620800 -27.0617 -45.3439 0.954559 -45.3439 11.1682 -63.5166 0.954526 -63.5167 24.3976 GPRESSAVG: 2620800 -25.8406 -44.6557 0.280144 -46.3134 10.8045 -64.375 1.62618 -64.7437 24.1326 TIMING: 2620800 CPU: 7605.46, 0.00287619/step Wall: 7605.46, 0.00287619/step, 1.90084 hours remaining, 206.617188 MB of memory in use. ENERGY: 2620800 720.1904 2100.8847 1941.6712 118.7007 -206048.7267 17674.9082 0.0000 0.0000 34239.4299 -149252.9417 299.0215 -183492.3716 -149165.8876 298.7936 -123.0259 -90.2662 558059.7700 2.8347 3.0322 PRESSURE: 2621000 -344.311 -8.21766 -120.899 -8.21755 -114.075 68.3786 -120.898 68.3783 -335.666 GPRESSURE: 2621000 -309.363 -1.23109 -47.5267 55.4289 -106.191 62.4884 -115.406 -15.7984 -284.103 PRESSAVG: 2621000 11.5771 2.9507 14.8058 2.9507 49.9427 -10.3806 14.8058 -10.3806 -26.3027 GPRESSAVG: 2621000 10.6693 2.56133 16.2897 4.02692 49.853 -8.73094 15.4203 -9.88096 -25.5495 TIMING: 2621000 CPU: 7606.05, 0.00290358/step Wall: 7606.05, 0.00290358/step, 1.91878 hours remaining, 206.617188 MB of memory in use. ENERGY: 2621000 748.8680 2105.7845 1971.1292 125.3290 -205909.3027 17364.7018 0.0000 0.0000 34313.1894 -149280.3009 299.6656 -183593.4902 -149185.8215 298.9126 -264.6839 -233.2193 557034.1783 11.7390 11.6576 PRESSURE: 2621200 -10.6337 -87.0748 -48.7555 -87.0767 239.824 38.8399 -48.7565 38.8397 198.896 GPRESSURE: 2621200 61.7725 -77.1728 -76.7795 -176.313 300.367 -12.43 -89.0262 106.083 156.441 PRESSAVG: 2621200 -39.5275 -28.8505 -59.1896 -28.8505 64.0827 -1.38782 -59.1896 -1.38774 -75.7192 GPRESSAVG: 2621200 -39.2612 -28.7675 -60.857 -28.9517 64.5518 -4.03178 -59.7257 0.174296 -77.2913 TIMING: 2621200 CPU: 7606.62, 0.0028876/step Wall: 7606.62, 0.0028876/step, 1.90806 hours remaining, 206.617188 MB of memory in use. ENERGY: 2621200 760.5564 2120.4266 1984.1775 116.9466 -206548.2943 18040.4980 0.0000 0.0000 34168.2206 -149357.4686 298.3996 -183525.6892 -149256.6615 298.4863 142.6954 172.8604 557898.8011 -17.0547 -17.3336 PRESSURE: 2621400 60.802 -92.8534 -72.3226 -92.8534 106.262 -59.4252 -72.3226 -59.4262 -23.7255 GPRESSURE: 2621400 149.875 -98.629 -68.9466 -148.404 172.534 -61.8462 -113.184 26.125 -66.7697 PRESSAVG: 2621400 44.8487 -3.58098 -4.96979 -3.58095 46.2462 18.3811 -4.9698 18.3812 -61.0379 GPRESSAVG: 2621400 44.5707 -4.25256 -5.29025 -3.01418 46.8275 19.4795 -4.34476 16.6157 -61.0439 TIMING: 2621400 CPU: 7607.2, 0.00288875/step Wall: 7607.2, 0.00288875/step, 1.90866 hours remaining, 206.617188 MB of memory in use. ENERGY: 2621400 768.4926 2086.1755 1954.8181 117.3658 -206533.5361 17911.7611 0.0000 0.0000 34310.1305 -149384.7926 299.6389 -183694.9230 -149291.2431 299.5932 47.7797 85.2131 557082.4693 10.0190 10.1181 PRESSURE: 2621600 -253.29 16.5413 92.1018 16.5441 -84.518 -4.9097 92.1027 -4.91179 -4.77444 GPRESSURE: 2621600 -213.556 -10.007 25.1244 55.8693 -9.95052 -21.9726 128.786 43.5053 -30.8352 PRESSAVG: 2621600 -23.3206 -26.6306 54.3356 -26.6306 -30.8339 34.7269 54.3357 34.727 22.2556 GPRESSAVG: 2621600 -23.3343 -25.3675 55.5615 -28.193 -30.8969 34.3092 52.9146 35.6373 22.0049 TIMING: 2621600 CPU: 7607.78, 0.00288255/step Wall: 7607.78, 0.00288255/step, 1.9044 hours remaining, 206.617188 MB of memory in use. ENERGY: 2621600 759.8534 2119.7281 1959.0689 110.6464 -206146.0807 17524.6496 0.0000 0.0000 34328.6476 -149343.4866 299.8006 -183672.1343 -149249.9170 298.7744 -114.1943 -84.7805 556497.2680 -10.6330 -10.7421 PRESSURE: 2621800 56.8925 -103.712 -138.125 -103.712 -168.603 -32.2432 -138.126 -32.2437 54.5637 GPRESSURE: 2621800 60.1109 -179.885 -136.785 -84.2954 -146.058 2.27309 -92.0565 -165.705 128.558 PRESSAVG: 2621800 14.6392 -38.881 -33.8781 -38.881 -12.4007 46.033 -33.878 46.033 31.5259 GPRESSAVG: 2621800 13.9088 -38.5419 -33.4375 -35.8365 -12.87 48.0661 -34.587 45.5693 32.4467 TIMING: 2621800 CPU: 7608.36, 0.00289014/step Wall: 7608.36, 0.00289014/step, 1.90926 hours remaining, 206.617188 MB of memory in use. ENERGY: 2621800 720.5856 2140.9270 1971.5306 109.3200 -206037.9167 17755.1793 0.0000 0.0000 33869.5070 -149470.8673 295.7908 -183340.3742 -149375.9599 298.3103 -19.0490 14.2036 556388.3194 11.2548 11.1618 PRESSURE: 2622000 155.497 -43.3844 -12.4284 -43.3852 -223.251 -17.6985 -12.4287 -17.6964 -36.1476 GPRESSURE: 2622000 185.241 -43.2493 -53.7604 -66.5994 -198.337 -61.2057 -112.602 80.1366 8.48815 PRESSAVG: 2622000 3.13067 -18.4919 -24.1687 -18.4919 -47.4432 2.41603 -24.1687 2.41595 32.9154 GPRESSAVG: 2622000 4.17283 -19.8718 -25.9148 -19.2029 -47.9394 0.245711 -21.4129 3.15439 32.0734 TIMING: 2622000 CPU: 7608.93, 0.00289121/step Wall: 7608.93, 0.00289121/step, 1.9098 hours remaining, 206.617188 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: 2622000 748.8630 2103.5969 1979.3940 107.5827 -206376.7090 17832.4914 0.0000 0.0000 34163.3050 -149441.4761 298.3566 -183604.7811 -149343.0024 298.2913 -34.6340 -1.5361 556836.6731 -3.7990 -3.8977 PRESSURE: 2622200 177.718 322.857 -37.2071 322.856 147.439 112.366 -37.2072 112.368 182.201 GPRESSURE: 2622200 271.387 237.323 7.26949 388.294 147.808 67.969 18.1297 78.2945 195.842 PRESSAVG: 2622200 -56.6929 24.2155 -55.5073 24.2155 29.3248 31.9001 -55.5073 31.9002 30.5641 GPRESSAVG: 2622200 -56.7542 25.2623 -55.7643 24.9785 28.9028 31.4205 -55.0079 30.5394 30.9715 TIMING: 2622200 CPU: 7609.51, 0.00289576/step Wall: 7609.51, 0.00289576/step, 1.91265 hours remaining, 206.617188 MB of memory in use. ENERGY: 2622200 753.5241 2098.3002 1983.8918 122.3667 -206975.4938 18278.3698 0.0000 0.0000 34322.0992 -149416.9420 299.7434 -183739.0412 -149323.7331 298.5112 169.1191 205.0124 556268.1830 1.0653 1.0400 PRESSURE: 2622400 159.121 -100.014 102.463 -100.015 393.651 101.103 102.462 101.101 -130.552 GPRESSURE: 2622400 250.83 -129.083 179.947 -62.6105 388.823 19.136 24.1084 148.476 -121.029 PRESSAVG: 2622400 48.4206 1.17808 17.5315 1.17808 -27.4647 27.8726 17.5315 27.8726 -28.07 GPRESSAVG: 2622400 47.9813 -1.23685 20.2872 -0.0881953 -28.2375 27.8135 13.7107 29.3329 -26.971 TIMING: 2622400 CPU: 7610.09, 0.00289788/step Wall: 7610.09, 0.00289788/step, 1.91389 hours remaining, 206.617188 MB of memory in use. ENERGY: 2622400 710.8209 2119.2743 1968.7056 118.5729 -206206.9131 17720.5292 0.0000 0.0000 34336.9050 -149232.1051 299.8727 -183569.0101 -149139.9422 298.9379 140.7401 172.8746 555934.1278 -2.3714 -2.4091 PRESSURE: 2622600 -49.8904 -36.2273 -103.637 -36.2273 309.145 110.951 -103.636 110.949 -167.639 GPRESSURE: 2622600 -55.0459 32.6549 -28.2912 -54.3741 316.147 160.669 -160.473 80.9747 -67.1126 PRESSAVG: 2622600 12.2687 10.7846 -29.4798 10.7846 35.3015 54.2072 -29.4797 54.2071 -59.9965 GPRESSAVG: 2622600 12.6932 13.6788 -30.6837 11.5331 36.1273 56.2556 -28.0787 54.4001 -61.3097 TIMING: 2622600 CPU: 7610.67, 0.00290029/step Wall: 7610.67, 0.00290029/step, 1.91532 hours remaining, 206.617188 MB of memory in use. ENERGY: 2622600 757.7192 2100.6714 1970.6164 128.2581 -206224.3401 17976.9737 0.0000 0.0000 34050.7962 -149239.3052 297.3741 -183290.1013 -149140.6332 299.5002 30.5383 64.6629 557033.9798 -4.1421 -4.1631 PRESSURE: 2622800 -61.4462 170.605 47.456 170.604 65.7518 -1.93923 47.4563 -1.93936 -179.028 GPRESSURE: 2622800 -92.2814 164.6 58.8677 88.9958 152.92 26.6605 14.2648 -21.4993 -143.626 PRESSAVG: 2622800 71.8784 -5.44404 37.2767 -5.44412 -2.12383 42.5297 37.2767 42.5298 -39.4969 GPRESSAVG: 2622800 72.1485 -7.73101 36.8298 -4.71104 -2.11487 41.104 36.7237 41.7003 -39.0151 TIMING: 2622800 CPU: 7611.25, 0.00289987/step Wall: 7611.25, 0.00289987/step, 1.91488 hours remaining, 206.617188 MB of memory in use. ENERGY: 2622800 727.6201 2099.4676 1959.7541 115.6285 -206086.0606 17788.6332 0.0000 0.0000 34234.3939 -149160.5632 298.9775 -183394.9571 -149063.3111 299.7340 -58.2408 -27.6624 558130.6150 10.0859 10.3395 PRESSURE: 2623000 -60.2362 -21.0872 -91.0619 -21.088 -139.235 -113.08 -91.0626 -113.081 -160.834 GPRESSURE: 2623000 -56.6421 -0.0338132 -44.5558 -15.0048 -57.754 -99.4465 -211.048 -112.84 -151.585 PRESSAVG: 2623000 39.8763 -4.74813 -76.5311 -4.74809 -1.44964 -34.7626 -76.5312 -34.7626 -25.2312 GPRESSAVG: 2623000 39.047 -3.20173 -77.0934 -4.77739 -1.01962 -34.7154 -75.2329 -33.5702 -24.9835 TIMING: 2623000 CPU: 7611.83, 0.00291072/step Wall: 7611.83, 0.00291072/step, 1.92188 hours remaining, 206.617188 MB of memory in use. ENERGY: 2623000 810.1626 2132.3959 1961.7695 122.0680 -206076.7812 17743.9565 0.0000 0.0000 33922.7656 -149383.6631 296.2559 -183306.4286 -149296.0614 298.7142 -120.1017 -88.6604 557923.4722 4.3985 4.3480 PRESSURE: 2623200 -210.878 184.093 72.3317 184.094 -38.603 -20.7464 72.3325 -20.7473 340.211 GPRESSURE: 2623200 -174.727 189.648 43.7221 138.346 -0.805531 37.4479 63.2775 -35.0787 362.063 PRESSAVG: 2623200 14.961 22.9535 49.3129 22.9535 -15.3981 -4.93193 49.3129 -4.93195 -17.9792 GPRESSAVG: 2623200 15.9756 23.8313 50.7201 20.8618 -15.1063 -5.45967 49.5937 -3.68575 -18.4258 TIMING: 2623200 CPU: 7612.41, 0.00289003/step Wall: 7612.41, 0.00289003/step, 1.90806 hours remaining, 206.617188 MB of memory in use. ENERGY: 2623200 781.6817 2118.0813 1970.2001 115.5428 -206397.1216 17905.1868 0.0000 0.0000 34157.2404 -149349.1885 298.3037 -183506.4289 -149247.1530 298.2656 30.2433 62.1769 556901.3538 -6.1388 -5.8522 PRESSURE: 2623400 -134.531 44.4336 36.0924 44.4346 11.5382 -169.636 36.0924 -169.635 -192.437 GPRESSURE: 2623400 -117.768 108.101 62.6919 -46.2478 61.8217 -185.664 19.8669 -142.141 -164.492 PRESSAVG: 2623400 -26.1777 -26.1915 7.45666 -26.1914 75.612 -47.5229 7.4567 -47.5229 -17.3851 GPRESSAVG: 2623400 -26.2036 -27.1463 6.42104 -24.1702 76.3655 -45.7867 7.63973 -50.0667 -18.079 TIMING: 2623400 CPU: 7612.99, 0.0028852/step Wall: 7612.99, 0.00288521/step, 1.90472 hours remaining, 206.617188 MB of memory in use. ENERGY: 2623400 761.3860 2091.5890 1947.1743 113.2066 -206088.6567 17784.6636 0.0000 0.0000 34208.6499 -149181.9873 298.7526 -183390.6372 -149086.5218 298.8765 -105.1430 -73.4796 557846.4089 10.6831 10.6943 PRESSURE: 2623600 -197.008 26.3468 169.666 26.3482 -324.972 -84.4152 169.665 -84.4148 -18.3543 GPRESSURE: 2623600 -163.249 64.2073 138.923 -37.2425 -257.449 -162.449 201.03 -115.088 -10.1652 PRESSAVG: 2623600 -45.3615 -11.1247 99.7297 -11.1247 -26.0148 -32.5025 99.7297 -32.5025 57.8094 GPRESSAVG: 2623600 -44.9903 -11.5421 100.199 -12.8634 -26.0287 -33.7781 98.131 -32.1717 57.1269 TIMING: 2623600 CPU: 7613.57, 0.00290874/step Wall: 7613.57, 0.00290874/step, 1.92009 hours remaining, 206.617188 MB of memory in use. ENERGY: 2623600 742.8478 2072.2955 1925.3782 124.6344 -205672.2232 17552.5909 0.0000 0.0000 34191.3720 -149063.1044 298.6018 -183254.4764 -148965.4753 299.7394 -180.1114 -143.6211 558474.1263 -4.5223 -4.6307 PRESSURE: 2623800 169.79 98.9515 28.2437 98.9508 167.935 -85.122 28.2424 -85.1224 214.604 GPRESSURE: 2623800 240.995 54.205 -39.712 23.0979 184.778 -69.6753 63.4318 -105.761 218.697 PRESSAVG: 2623800 -49.826 48.0513 54.935 48.0513 4.77133 0.00187722 54.935 0.001869 48.2523 GPRESSAVG: 2623800 -51.4718 46.3583 56.4513 49.4405 4.93986 -0.0313707 54.5769 1.25999 49.5932 TIMING: 2623800 CPU: 7614.15, 0.00290481/step Wall: 7614.15, 0.00290481/step, 1.91734 hours remaining, 206.617188 MB of memory in use. ENERGY: 2623800 724.7340 2085.2901 1937.2491 120.3529 -206401.8657 18206.2663 0.0000 0.0000 34137.8620 -149190.1113 298.1344 -183327.9732 -149096.8379 298.3840 184.1098 214.8233 558279.4008 1.0659 1.0204 PRESSURE: 2624000 -139.773 -7.34974 42.9677 -7.35026 53.5124 39.8381 42.9672 39.838 157.92 GPRESSURE: 2624000 -101.463 -97.52 -10.3559 56.4198 91.3807 24.8409 36.4673 61.4625 167.277 PRESSAVG: 2624000 -10.7682 36.6254 -0.147322 36.6253 -23.4868 11.4602 -0.147373 11.4603 47.9326 GPRESSAVG: 2624000 -10.2463 37.6056 -3.63118 37.4213 -23.2467 9.48145 1.96729 8.92387 47.359 TIMING: 2624000 CPU: 7614.73, 0.00290216/step Wall: 7614.73, 0.00290216/step, 1.91542 hours remaining, 206.617188 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: 2624000 725.5477 2074.4105 1960.8553 119.7029 -206270.6258 17839.6215 0.0000 0.0000 34393.9364 -149156.5515 300.3708 -183550.4879 -149061.8314 299.3748 23.8865 52.3983 558134.3961 4.5592 4.6220 PRESSURE: 2624200 -237.944 31.8042 94.6345 31.8037 -102.161 -64.1919 94.6338 -64.1923 -516.972 GPRESSURE: 2624200 -204.441 -30.533 39.7496 82.753 -70.6008 -124.231 101.075 -136.23 -486.906 PRESSAVG: 2624200 -61.6735 -9.3072 -22.5799 -9.30738 -14.6311 28.7391 -22.5798 28.739 51.2587 GPRESSAVG: 2624200 -61.0127 -8.66724 -20.6085 -9.23209 -15.1575 30.1978 -22.0007 28.313 51.4964 TIMING: 2624200 CPU: 7615.31, 0.00288447/step Wall: 7615.31, 0.00288447/step, 1.90359 hours remaining, 206.617188 MB of memory in use. ENERGY: 2624200 800.0955 2063.5099 1974.8214 125.7161 -206107.6900 17497.2915 0.0000 0.0000 34518.4341 -149127.8215 301.4581 -183646.2556 -149027.5062 299.1069 -285.6924 -253.9825 557162.2246 -8.3487 -8.2246 LDB: ============= START OF LOAD BALANCING ============== 7618.77 LDB: ============== END OF LOAD BALANCING =============== 7618.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7618.77 LDB: ============= START OF LOAD BALANCING ============== 7619.06 LDB: Largest compute 4821 load 0.030335 is 25.7% of average load 0.117812 LDB: Average compute 0.001724 is 1.5% of average load 0.117812 LDB: TIME 7619.07 LOAD: AVG 0.117812 MAX 0.178475 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.988 MB LDB: TIME 7619.07 LOAD: AVG 0.117812 MAX 0.178475 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.992 MB LDB: TIME 7619.07 LOAD: AVG 0.117812 MAX 0.178475 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.992 MB LDB: ============== END OF LOAD BALANCING =============== 7619.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7619.07 PRESSURE: 2624400 -196.527 51.3732 124.108 51.3731 -74.9771 -45.8214 124.107 -45.8222 -81.1995 GPRESSURE: 2624400 -182.089 127.612 106.634 72.5241 -17.6123 -133.863 131.056 -2.51746 -48.3816 PRESSAVG: 2624400 24.31 -29.1076 -18.715 -29.1075 -63.0019 90.3145 -18.715 90.3145 -14.9993 GPRESSAVG: 2624400 24.234 -30.1329 -20.1304 -29.3903 -62.6002 90.9522 -19.572 89.1728 -15.5179 TIMING: 2624400 CPU: 7615.9, 0.00293545/step Wall: 7615.9, 0.00293545/step, 1.93707 hours remaining, 207.480469 MB of memory in use. ENERGY: 2624400 762.8069 2100.5265 1958.5133 116.8625 -205981.5886 17590.1668 0.0000 0.0000 34285.4993 -149167.2133 299.4238 -183452.7126 -149072.9827 299.7127 -117.5678 -82.6941 557034.6857 -17.8971 -17.9614 PRESSURE: 2624600 75.7722 -55.5499 139.469 -55.5487 60.1308 33.8346 139.469 33.8327 -76.3257 GPRESSURE: 2624600 65.7922 -28.8343 9.03085 -24.3852 74.8518 44.7648 297.94 14.5117 20.4289 PRESSAVG: 2624600 58.3796 29.7621 -27.9746 29.7623 -53.9357 20.3423 -27.9745 20.3422 19.2857 GPRESSAVG: 2624600 59.329 28.547 -28.7363 29.1183 -54.9357 19.8486 -26.2323 21.2496 19.6912 TIMING: 2624600 CPU: 7616.47, 0.00288946/step Wall: 7616.47, 0.00288946/step, 1.90656 hours remaining, 207.492188 MB of memory in use. ENERGY: 2624600 732.7834 2049.5441 1935.9651 98.6734 -206246.7393 17914.0593 0.0000 0.0000 34293.4761 -149222.2379 299.4935 -183515.7139 -149119.0632 299.1379 19.8591 53.6910 558120.9077 7.9099 8.0282 PRESSURE: 2624800 22.1371 75.3231 -18.9338 75.3226 107.423 176.861 -18.9335 176.861 -50.4431 GPRESSURE: 2624800 38.6021 108.659 -6.51959 133.515 184.704 193.495 -24.3206 163.409 -49.6495 PRESSAVG: 2624800 7.20859 13.6069 -13.0324 13.607 -55.0594 31.7665 -13.0325 31.7665 37.9837 GPRESSAVG: 2624800 6.12756 15.7289 -11.9642 14.45 -54.6887 31.9975 -15.8637 33.2785 37.9528 TIMING: 2624800 CPU: 7617.06, 0.00290852/step Wall: 7617.06, 0.00290852/step, 1.91898 hours remaining, 207.492188 MB of memory in use. ENERGY: 2624800 697.1259 2111.0631 1955.3997 107.1948 -206326.4777 17935.7982 0.0000 0.0000 34370.1644 -149149.7316 300.1632 -183519.8960 -149051.4621 299.6197 26.3724 57.8857 556698.7876 -3.2890 -3.5361 PRESSURE: 2625000 196.015 147.841 104.439 147.841 -31.8648 -22.2334 104.438 -22.2322 11.0058 GPRESSURE: 2625000 258.761 42.265 74.8597 139.72 40.2765 -86.2481 64.7772 34.9458 -24.0778 PRESSAVG: 2625000 -13.8028 2.70241 29.8291 2.70248 -13.2013 20.4778 29.8292 20.4777 -20.3878 GPRESSAVG: 2625000 -13.8716 4.52692 28.7992 0.00897388 -12.6361 19.5739 31.5854 19.5605 -21.0176 TIMING: 2625000 CPU: 7617.63, 0.00289487/step Wall: 7617.63, 0.00289486/step, 1.90981 hours remaining, 207.492188 MB of memory in use. ENERGY: 2625000 728.7894 2097.2989 1947.7968 112.5220 -206551.2446 17866.3538 0.0000 0.0000 34560.1738 -149238.3100 301.8226 -183798.4838 -149147.8373 299.6937 58.3852 91.6533 554829.1896 -15.7973 -15.8418 PRESSURE: 2625200 123.364 25.1885 24.5292 25.189 11.6116 -62.1489 24.5299 -62.1471 104.604 GPRESSURE: 2625200 207.851 -13.2515 -52.9156 40.8198 -4.75389 48.9226 44.7863 -73.7261 133.277 PRESSAVG: 2625200 -33.7703 38.8968 49.5468 38.8969 -27.4922 -23.4019 49.5468 -23.4019 34.1738 GPRESSAVG: 2625200 -33.8428 37.0914 50.1604 41.6211 -28.0867 -22.5809 49.0492 -23.6703 34.7818 TIMING: 2625200 CPU: 7618.22, 0.00290607/step Wall: 7618.22, 0.00290607/step, 1.91703 hours remaining, 207.492188 MB of memory in use. ENERGY: 2625200 740.4533 2111.8976 1951.2927 107.7272 -206249.9844 17791.9695 0.0000 0.0000 34257.9596 -149288.6845 299.1833 -183546.6441 -149194.6403 299.7518 79.8598 112.1246 555828.4082 -9.0295 -9.0492 PRESSURE: 2625400 -374.115 -4.8567 60.1616 -4.85551 -321.537 185.741 60.1613 185.74 -115.364 GPRESSURE: 2625400 -303.762 -50.6974 162.937 -0.46336 -291.502 220.759 38.611 155.971 -121.08 PRESSAVG: 2625400 10.9689 78.5209 -28.0996 78.5209 -53.0876 22.0944 -28.0996 22.0944 46.4351 GPRESSAVG: 2625400 10.1157 76.4505 -26.7702 79.3194 -53.4614 21.8959 -30.0938 21.4238 47.5018 TIMING: 2625400 CPU: 7618.79, 0.00287892/step Wall: 7618.79, 0.00287892/step, 1.89896 hours remaining, 207.492188 MB of memory in use. ENERGY: 2625400 754.5397 2114.9102 1938.0110 110.8139 -205786.0838 17280.0424 0.0000 0.0000 34446.6155 -149141.1512 300.8309 -183587.7667 -149050.9871 299.6035 -270.3388 -238.7815 556766.6869 1.4388 1.3854 PRESSURE: 2625600 -148.787 -40.5824 -1.18075 -40.5828 -237.489 -194.713 -1.18083 -194.714 -91.7167 GPRESSURE: 2625600 -123.091 -55.5635 112.651 -68.232 -162.965 -199.885 -27.7405 -132.262 -96.1561 PRESSAVG: 2625600 6.23103 27.1083 -2.47799 27.1083 -72.5145 -5.44963 -2.47806 -5.44952 54.5603 GPRESSAVG: 2625600 7.00137 26.5735 -1.51841 25.3479 -72.8155 -5.97854 -2.97114 -4.01495 53.9512 TIMING: 2625600 CPU: 7619.37, 0.00288537/step Wall: 7619.37, 0.00288537/step, 1.90306 hours remaining, 207.492188 MB of memory in use. ENERGY: 2625600 736.4699 2099.3426 1952.4551 117.2661 -205900.2734 17467.9652 0.0000 0.0000 34525.5051 -149001.2694 301.5198 -183526.7744 -148901.6827 300.2435 -159.3310 -127.4039 556381.1827 -3.9077 -3.9543 PRESSURE: 2625800 38.6616 79.5019 -184.306 79.5021 -30.5179 -3.44668 -184.306 -3.4477 -34.2006 GPRESSURE: 2625800 66.3635 57.2392 -167.285 97.5184 26.3387 -6.85526 -180.666 19.0851 -26.8657 PRESSAVG: 2625800 13.2347 20.2897 37.9627 20.2896 -14.7466 12.8095 37.9628 12.8096 32.1896 GPRESSAVG: 2625800 13.5007 23.1684 36.1 19.7793 -14.5219 12.7416 41.4641 12.5528 31.724 TIMING: 2625800 CPU: 7619.94, 0.00287102/step Wall: 7619.94, 0.00287102/step, 1.89344 hours remaining, 207.492188 MB of memory in use. ENERGY: 2625800 740.4681 2081.0368 1947.1428 112.9161 -206043.5948 17690.4374 0.0000 0.0000 34549.2763 -148922.3172 301.7274 -183471.5935 -148830.8456 300.6360 -8.6856 21.9455 555993.0275 10.2259 10.2343 PRESSURE: 2626000 21.8383 93.1347 66.8167 93.1356 -52.354 -22.7408 66.8151 -22.7411 86.3688 GPRESSURE: 2626000 49.691 65.4084 78.6797 44.2979 -57.6404 -19.4702 10.3376 -39.108 150.531 PRESSAVG: 2626000 4.73581 13.5305 -8.83143 13.5304 -69.6001 23.791 -8.83139 23.791 57.0677 GPRESSAVG: 2626000 4.99232 11.4806 -8.19533 14.6426 -69.1341 25.2718 -10.0193 24.0126 56.5028 TIMING: 2626000 CPU: 7620.52, 0.00288049/step Wall: 7620.52, 0.00288049/step, 1.89952 hours remaining, 207.492188 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: 2626000 763.1328 2139.7110 1924.3431 102.0867 -206038.6166 17692.5790 0.0000 0.0000 34458.8489 -148957.9151 300.9377 -183416.7640 -148856.7265 299.9208 18.6177 47.5272 557053.8181 -2.5988 -2.5463 PRESSURE: 2626200 -5.79299 -23.9399 75.6978 -23.9404 -53.8094 -24.3037 75.6979 -24.3029 30.3716 GPRESSURE: 2626200 37.8571 64.1472 64.3099 -49.2253 -23.5295 -23.6108 43.1161 0.00835733 67.9441 PRESSAVG: 2626200 -35.5524 -25.041 9.90166 -25.041 13.5197 15.6962 9.90163 15.6961 0.378388 GPRESSAVG: 2626200 -36.0838 -24.476 8.6507 -25.494 13.6603 13.5606 8.29312 16.8816 1.40196 TIMING: 2626200 CPU: 7621.1, 0.00289068/step Wall: 7621.1, 0.00289068/step, 1.90608 hours remaining, 207.492188 MB of memory in use. ENERGY: 2626200 755.0024 2087.9106 1968.6484 123.2352 -205898.1590 17798.8483 0.0000 0.0000 34387.9266 -148776.5874 300.3183 -183164.5139 -148678.6453 300.2861 -9.7436 27.4239 557654.2591 -7.2181 -7.0072 PRESSURE: 2626400 -240.499 -41.9756 -127.507 -41.9753 379.967 3.8291 -127.506 3.8286 -58.0663 GPRESSURE: 2626400 -162.258 -36.4785 -50.2031 39.4862 318.133 53.8369 -171.431 5.82667 16.3027 PRESSAVG: 2626400 39.4087 0.857706 -19.8306 0.857781 67.8295 4.83635 -19.8307 4.8364 -98.3599 GPRESSAVG: 2626400 39.854 -1.54571 -19.3238 1.64311 67.5498 7.13313 -19.1795 3.47898 -98.7373 TIMING: 2626400 CPU: 7621.68, 0.00289814/step Wall: 7621.68, 0.00289814/step, 1.91084 hours remaining, 207.492188 MB of memory in use. ENERGY: 2626400 726.8195 2147.0618 1961.2841 120.0934 -205619.6382 17603.4169 0.0000 0.0000 34335.3425 -148725.6200 299.8591 -183060.9625 -148634.0659 300.6912 27.1340 57.3924 557164.3129 2.9594 2.8888 PRESSURE: 2626600 146.609 1.16369 -40.214 1.16285 -67.4395 28.2668 -40.2144 28.2679 -72.6185 GPRESSURE: 2626600 163.285 -7.74426 8.3908 41.1828 6.64554 22.6603 -33.6045 47.8829 -73.7875 PRESSAVG: 2626600 -7.2129 23.5634 19.1986 23.5634 8.51334 9.83039 19.1986 9.83036 -48.742 GPRESSAVG: 2626600 -6.92927 26.9248 18.8361 23.2985 9.11842 8.9438 19.8864 10.331 -49.2215 TIMING: 2626600 CPU: 7622.26, 0.00290863/step Wall: 7622.26, 0.00290863/step, 1.91759 hours remaining, 207.492188 MB of memory in use. ENERGY: 2626600 727.3817 2102.2222 1951.9285 114.7883 -205943.8368 17816.4971 0.0000 0.0000 34408.8964 -148822.1226 300.5015 -183231.0190 -148724.2231 300.6596 2.1835 32.0479 559368.4190 -15.8139 -15.6775 PRESSURE: 2626800 -7.31146 -73.6802 -102.275 -73.6794 -127.793 -73.2278 -102.276 -73.2276 32.4653 GPRESSURE: 2626800 -10.2001 -4.59005 -50.3673 -41.9883 -3.90119 -181.758 -91.191 24.917 20.4296 PRESSAVG: 2626800 -19.2704 -14.38 -26.2723 -14.3799 3.44361 -3.25108 -26.2722 -3.25114 30.0985 GPRESSAVG: 2626800 -17.9409 -16.3068 -27.0004 -16.0532 2.79284 -2.55009 -25.8184 -3.07802 30.3967 TIMING: 2626800 CPU: 7622.84, 0.00291143/step Wall: 7622.84, 0.00291143/step, 1.91928 hours remaining, 207.492188 MB of memory in use. ENERGY: 2626800 782.7633 2120.3982 1943.3191 121.6384 -205954.0751 17786.0240 0.0000 0.0000 34348.4549 -148851.4771 299.9736 -183199.9320 -148747.2174 299.8347 -34.2129 2.1094 559231.3641 4.7573 5.0829 PRESSURE: 2627000 -175.683 49.5359 -75.5751 49.5358 -189.887 -69.3032 -75.576 -69.3034 -262.204 GPRESSURE: 2627000 -94.2983 -17.7448 -88.4787 42.6931 -199.669 -65.0341 -85.3503 7.96885 -227.38 PRESSAVG: 2627000 44.1037 -19.3846 -44.4178 -19.3845 -57.5548 10.4024 -44.4179 10.4024 24.2803 GPRESSAVG: 2627000 44.2137 -18.0973 -43.4703 -18.2991 -57.4298 8.65167 -45.2668 11.6721 24.2892 TIMING: 2627000 CPU: 7623.42, 0.00291219/step Wall: 7623.42, 0.00291219/step, 1.91962 hours remaining, 207.492188 MB of memory in use. ENERGY: 2627000 736.4370 2084.2458 1980.8507 109.4220 -205853.7177 17662.4809 0.0000 0.0000 34244.4284 -149035.8529 299.0651 -183280.2813 -148939.9141 299.4222 -209.2579 -173.7823 560171.3427 3.6097 3.6910 PRESSURE: 2627200 -90.2195 50.636 80.1792 50.635 -290.867 -30.2347 80.1789 -30.2362 108.136 GPRESSURE: 2627200 -81.0115 -30.7249 63.3792 117.843 -214.767 -41.1337 113.201 -45.877 114.669 PRESSAVG: 2627200 23.0436 2.40315 -9.72534 2.4032 -44.8421 21.8666 -9.72536 21.8667 5.4047 GPRESSAVG: 2627200 23.2136 2.0654 -9.14652 2.58101 -44.9625 23.4604 -9.44485 20.181 5.34831 TIMING: 2627200 CPU: 7624.01, 0.00293814/step Wall: 7624.01, 0.00293814/step, 1.93656 hours remaining, 207.492188 MB of memory in use. ENERGY: 2627200 758.8137 2074.4215 1953.0534 129.5593 -206255.4320 17851.6945 0.0000 0.0000 34300.0528 -149187.8368 299.5509 -183487.8896 -149091.5154 299.4710 -90.9833 -60.3699 558279.6915 -5.4646 -5.4668 PRESSURE: 2627400 -96.5007 -192.303 260.252 -192.303 -329.516 -81.3269 260.253 -81.327 -36.6377 GPRESSURE: 2627400 13.4302 -99.5829 321.019 -208.675 -330.04 -10.3023 159.077 -125.65 -40.8972 PRESSAVG: 2627400 33.9804 4.73734 47.0403 4.73736 -25.83 10.6572 47.0403 10.6572 10.486 GPRESSAVG: 2627400 33.3003 5.3833 44.6102 4.46469 -25.6598 11.0091 47.9244 11.7303 11.3422 TIMING: 2627400 CPU: 7624.6, 0.00292503/step Wall: 7624.6, 0.00292503/step, 1.92776 hours remaining, 207.492188 MB of memory in use. ENERGY: 2627400 734.6653 2062.4058 1966.3431 122.4986 -205601.6700 17475.6615 0.0000 0.0000 34076.9331 -149163.1627 297.6023 -183240.0958 -149065.3736 298.9492 -154.2183 -119.1691 557920.9913 6.2121 6.3276 PRESSURE: 2627600 153.381 -69.1835 99.8644 -69.1826 -36.8981 87.6503 99.8656 87.6482 -55.5837 GPRESSURE: 2627600 192.648 -69.8827 91.1253 -80.8336 11.2465 11.0393 81.5188 120.539 -47.2853 PRESSAVG: 2627600 -43.2292 -3.54566 -2.68282 -3.54555 -2.68369 16.2169 -2.68291 16.217 53.3737 GPRESSAVG: 2627600 -44.4055 -4.81001 -1.03795 -3.39127 -0.768239 15.7944 -3.32154 14.8816 52.4742 TIMING: 2627600 CPU: 7625.18, 0.00289785/step Wall: 7625.18, 0.00289785/step, 1.90969 hours remaining, 207.695312 MB of memory in use. ENERGY: 2627600 711.8967 2025.3338 1954.8106 104.5523 -206093.8957 17949.7195 0.0000 0.0000 34460.0073 -148887.5756 300.9478 -183347.5829 -148785.3520 298.9002 20.2998 52.2031 558685.8621 2.4870 2.4335 PRESSURE: 2627800 -77.2782 122.925 -88.4792 122.925 87.7906 -60.3704 -88.4773 -60.3705 409.515 GPRESSURE: 2627800 -5.50262 124.199 -88.5204 106.132 52.543 23.5722 -207.829 -52.0955 460.36 PRESSAVG: 2627800 -0.146813 5.41167 -9.19007 5.41166 -63.0968 4.68418 -9.19016 4.6842 44.6951 GPRESSAVG: 2627800 0.794722 5.56506 -9.30548 5.6034 -63.6836 4.70887 -10.9274 2.26837 44.4572 TIMING: 2627800 CPU: 7625.75, 0.00289542/step Wall: 7625.75, 0.00289542/step, 1.90792 hours remaining, 207.695312 MB of memory in use. ENERGY: 2627800 762.1810 2081.3563 1976.9058 121.5802 -206333.1132 18118.6488 0.0000 0.0000 34313.7251 -148958.7160 299.6703 -183272.4411 -148863.8534 300.2373 140.0090 169.1335 557790.8846 -6.1829 -6.1439 PRESSURE: 2628000 -162.517 -29.2666 4.88902 -29.2672 -28.1417 82.1562 4.88939 82.1574 328.222 GPRESSURE: 2628000 -106.846 27.617 75.9596 -21.9324 -2.73209 161.232 -53.2163 63.0463 337.158 PRESSAVG: 2628000 -57.08 -17.2917 -4.15045 -17.2917 -12.3463 -13.5812 -4.15039 -13.5812 80.8454 GPRESSAVG: 2628000 -57.5906 -16.4108 -3.01866 -17.9717 -11.9992 -14.5855 -2.98403 -9.97169 80.3725 TIMING: 2628000 CPU: 7626.33, 0.00289064/step Wall: 7626.33, 0.00289064/step, 1.90461 hours remaining, 207.695312 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: 2628000 731.5634 2095.1752 1929.7909 108.0203 -206113.0900 17905.0085 0.0000 0.0000 34454.5691 -148888.9625 300.9003 -183343.5316 -148793.0769 299.5653 45.8542 75.8598 558398.7577 3.8064 3.5942 PRESSURE: 2628200 -110.664 -64.5497 -60.0891 -64.5497 -106.397 62.4607 -60.0882 62.4616 -58.3092 GPRESSURE: 2628200 -79.5279 -19.7968 -0.553487 -36.9337 -69.389 15.0396 -71.513 58.97 -21.3247 PRESSAVG: 2628200 -25.646 -2.91711 -5.68151 -2.91711 38.7806 -94.498 -5.68149 -94.4978 7.76129 GPRESSAVG: 2628200 -25.2792 -4.04943 -7.76008 -1.77179 38.4717 -95.9677 -4.60704 -94.5798 8.33952 TIMING: 2628200 CPU: 7626.92, 0.00291684/step Wall: 7626.92, 0.00291684/step, 1.92171 hours remaining, 207.695312 MB of memory in use. ENERGY: 2628200 731.5059 2035.1383 1955.3163 119.0639 -205900.5413 17832.2530 0.0000 0.0000 34293.0440 -148934.2198 299.4897 -183227.2638 -148834.6309 299.8416 -91.7900 -56.7472 560157.2431 6.9653 7.1773 LDB: ============= START OF LOAD BALANCING ============== 7630.38 LDB: ============== END OF LOAD BALANCING =============== 7630.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7630.39 LDB: ============= START OF LOAD BALANCING ============== 7630.68 LDB: Largest compute 4821 load 0.029907 is 25.4% of average load 0.117762 LDB: Average compute 0.001724 is 1.5% of average load 0.117762 LDB: TIME 7630.68 LOAD: AVG 0.117762 MAX 0.177799 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.363 MB LDB: TIME 7630.68 LOAD: AVG 0.117762 MAX 0.177799 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: TIME 7630.68 LOAD: AVG 0.117762 MAX 0.177799 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7630.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7630.69 PRESSURE: 2628400 326.638 -105.696 -35.8093 -105.697 -225.724 -144.793 -35.8092 -144.794 111.717 GPRESSURE: 2628400 356.533 -128.932 -5.33049 -19.4785 -172.122 -127.195 -196.586 -119.179 121.536 PRESSAVG: 2628400 78.3164 -25.0655 6.03033 -25.0655 -38.6912 -67.1687 6.03034 -67.1688 19.363 GPRESSAVG: 2628400 77.9054 -23.7578 8.09197 -26.1273 -39.0967 -63.8222 3.19079 -65.9426 20.1438 TIMING: 2628400 CPU: 7627.51, 0.00298351/step Wall: 7627.51, 0.00298351/step, 1.96547 hours remaining, 208.609375 MB of memory in use. ENERGY: 2628400 744.8496 2064.0733 1947.9408 109.1612 -206138.8942 17893.4183 0.0000 0.0000 34272.5873 -149106.8636 299.3110 -183379.4510 -149009.5604 299.6118 70.8771 101.9824 558328.8997 19.6627 19.6508 PRESSURE: 2628600 -1.57796 133.324 137.394 133.324 -175.114 59.7644 137.395 59.7644 118.31 GPRESSURE: 2628600 13.3922 109.082 120.001 167.088 -108.286 39.2286 85.6509 82.5502 140.255 PRESSAVG: 2628600 -9.29188 58.5886 -9.54627 58.5886 -45.8794 -32.0669 -9.5463 -32.0669 8.50764 GPRESSAVG: 2628600 -8.89488 57.75 -9.28572 60.3086 -45.7504 -33.0322 -8.13832 -33.1332 8.19678 TIMING: 2628600 CPU: 7628.09, 0.00290867/step Wall: 7628.09, 0.00290867/step, 1.916 hours remaining, 208.679688 MB of memory in use. ENERGY: 2628600 741.8903 2051.6684 2012.4393 121.8777 -205868.5168 17676.1713 0.0000 0.0000 34237.7009 -149026.7689 299.0064 -183264.4698 -148920.4035 299.1918 -19.4606 15.1204 557826.7250 -15.5546 -15.4828 PRESSURE: 2628800 19.8308 16.9118 -24.3957 16.9118 4.13013 72.6844 -24.3957 72.6841 -49.4258 GPRESSURE: 2628800 55.1572 62.339 -31.4129 -86.0001 -11.0787 77.7473 -1.16019 23.0466 34.9776 PRESSAVG: 2628800 -45.9515 43.7666 -6.47442 43.7666 -39.0916 23.1443 -6.4744 23.1442 66.0162 GPRESSAVG: 2628800 -45.1521 44.9564 -8.28384 41.1028 -38.3029 23.8023 -6.08619 20.5719 64.6382 TIMING: 2628800 CPU: 7628.68, 0.0029215/step Wall: 7628.68, 0.0029215/step, 1.92429 hours remaining, 208.679688 MB of memory in use. ENERGY: 2628800 717.6949 2098.7129 1963.3658 115.5951 -206007.0469 17829.3151 0.0000 0.0000 34243.7886 -149038.5745 299.0595 -183282.3631 -148944.1661 299.6028 -8.4883 26.3520 558982.4734 -6.3423 -6.2723 PRESSURE: 2629000 -65.5932 77.5612 -156.95 77.5614 18.4145 -11.9024 -156.951 -11.903 -76.1959 GPRESSURE: 2629000 -27.7061 102.994 -155.264 110.253 69.0548 -5.34101 -183.617 -19.0634 -60.7539 PRESSAVG: 2629000 -25.0291 -4.97003 -12.9596 -4.97003 -21.8822 57.5282 -12.9597 57.5282 107.511 GPRESSAVG: 2629000 -25.48 -5.6791 -13.9496 -5.10629 -21.2205 57.7916 -11.0465 58.2216 107.087 TIMING: 2629000 CPU: 7629.26, 0.00289767/step Wall: 7629.26, 0.00289767/step, 1.90844 hours remaining, 208.679688 MB of memory in use. ENERGY: 2629000 760.2352 2083.5105 1965.5274 120.7073 -205959.0212 17715.2974 0.0000 0.0000 34216.6245 -149097.1189 298.8223 -183313.7434 -149002.4113 300.6349 -41.1249 -6.4684 557811.4079 20.1998 20.1288 PRESSURE: 2629200 72.9556 16.4432 4.38755 16.4437 -58.6978 41.2 4.38717 41.2004 76.9585 GPRESSURE: 2629200 150.882 9.78012 -27.1505 8.40243 -80.2982 34.0027 -46.8184 55.2946 97.2383 PRESSAVG: 2629200 -66.1571 9.90512 17.0857 9.90506 -4.73509 -36.868 17.0856 -36.8679 69.0765 GPRESSAVG: 2629200 -66.5765 10.4063 18.4966 10.6389 -5.14883 -40.0357 15.4471 -34.831 69.6433 TIMING: 2629200 CPU: 7629.84, 0.00289914/step Wall: 7629.84, 0.00289914/step, 1.90925 hours remaining, 208.679688 MB of memory in use. ENERGY: 2629200 761.7613 2042.3062 1952.0794 115.6593 -206084.3678 17856.5665 0.0000 0.0000 34398.5220 -148957.4731 300.4108 -183355.9951 -148863.8406 299.0529 30.4054 55.9407 557556.0755 -0.6052 -0.6940 PRESSURE: 2629400 -137.833 88.3784 131.125 88.3791 17.9396 52.1384 131.125 52.1396 77.4257 GPRESSURE: 2629400 -133.096 64.1625 127.579 109.723 29.081 23.329 180.12 58.3798 144.294 PRESSAVG: 2629400 22.8158 -19.9089 50.396 -19.909 -111.216 -36.3376 50.396 -36.3376 32.2479 GPRESSAVG: 2629400 23.3283 -20.1422 50.8418 -17.5649 -113.399 -33.5311 51.6175 -37.1956 33.2976 TIMING: 2629400 CPU: 7630.42, 0.00288471/step Wall: 7630.42, 0.00288471/step, 1.89958 hours remaining, 208.679688 MB of memory in use. ENERGY: 2629400 724.9131 2091.4509 1966.9684 106.5840 -206076.9668 17746.9996 0.0000 0.0000 34398.2812 -149041.7698 300.4087 -183440.0509 -148944.6452 300.3251 -14.1559 13.4264 559234.1885 -18.7175 -18.9243 PRESSURE: 2629600 97.9261 16.0498 9.46127 16.049 -87.8449 -11.4732 9.46123 -11.473 172.578 GPRESSURE: 2629600 130.067 15.7238 14.1017 -48.303 -39.7529 2.66731 -27.9112 -66.2063 200.314 PRESSAVG: 2629600 35.9376 28.1882 -10.2034 28.1883 -31.0955 -58.743 -10.2034 -58.7431 -0.350047 GPRESSAVG: 2629600 35.3259 30.9657 -10.9466 25.6634 -29.4902 -60.2 -11.7194 -57.9198 -1.04989 TIMING: 2629600 CPU: 7630.99, 0.00289021/step Wall: 7630.99, 0.00289021/step, 1.90304 hours remaining, 208.679688 MB of memory in use. ENERGY: 2629600 762.9456 2061.8070 1960.2331 105.4677 -206209.0217 18057.5773 0.0000 0.0000 34251.0798 -149009.9112 299.1232 -183260.9911 -148918.8820 299.5134 60.8865 96.8760 557836.7608 1.4974 1.5952 PRESSURE: 2629800 -170.679 -81.5015 165.74 -81.5009 142.8 91.3852 165.74 91.385 17.5858 GPRESSURE: 2629800 -164.37 -125.34 227.214 -70.2633 180.917 115.472 84.704 66.0079 56.551 PRESSAVG: 2629800 -22.3343 -42.6742 9.67777 -42.6742 -14.6483 -41.9492 9.67777 -41.9493 -22.9092 GPRESSAVG: 2629800 -22.3274 -44.832 9.05706 -42.5388 -14.6923 -42.5188 8.46329 -42.0441 -23.0525 TIMING: 2629800 CPU: 7631.57, 0.00289246/step Wall: 7631.57, 0.00289246/step, 1.90436 hours remaining, 208.882812 MB of memory in use. ENERGY: 2629800 733.7066 2068.9720 1942.7453 123.0035 -205803.5218 17567.3798 0.0000 0.0000 34405.8746 -148961.8402 300.4751 -183367.7148 -148858.1565 299.8777 -3.4310 24.3659 557601.7523 -19.9639 -20.0241 PRESSURE: 2630000 73.8808 -31.2108 80.1174 -31.2105 16.7244 -123.619 80.1172 -123.62 -308.42 GPRESSURE: 2630000 147.703 75.6829 67.1828 -130.177 8.37434 -133.857 70.3849 -123.276 -284.834 PRESSAVG: 2630000 19.5472 -55.4601 4.39116 -55.4602 62.7215 -5.69816 4.3911 -5.69818 -80.7482 GPRESSAVG: 2630000 20.778 -55.2834 6.96628 -55.9647 62.5317 -5.91481 4.06073 -3.79777 -81.6883 TIMING: 2630000 CPU: 7632.16, 0.00291851/step Wall: 7632.16, 0.00291851/step, 1.92135 hours remaining, 208.882812 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: 2630000 726.4571 2089.1674 1953.4316 117.4215 -206308.7903 17829.9474 0.0000 0.0000 34398.1674 -149194.1979 300.4078 -183592.3653 -149098.7668 299.8384 -72.6050 -42.9190 556575.7311 0.5068 0.5405 PRESSURE: 2630200 250.147 -92.9628 -2.08222 -92.9617 -141.252 -39.0505 -2.08195 -39.0503 10.1087 GPRESSURE: 2630200 293.376 -81.3947 -7.10057 -44.5069 -57.9805 -8.03551 -51.0241 47.951 -13.0574 PRESSAVG: 2630200 44.698 -41.6445 35.6653 -41.6445 34.3359 91.347 35.6653 91.347 -53.534 GPRESSAVG: 2630200 43.7253 -43.9099 33.6355 -40.5805 34.4949 91.1599 37.5602 90.8397 -52.9577 TIMING: 2630200 CPU: 7632.74, 0.00290932/step Wall: 7632.74, 0.00290932/step, 1.91514 hours remaining, 208.882812 MB of memory in use. ENERGY: 2630200 718.0123 2070.9901 1927.1905 117.5041 -206041.4059 17776.2907 0.0000 0.0000 34202.5926 -149228.8256 298.6997 -183431.4182 -149133.1778 299.7172 39.6681 74.1128 555731.5320 8.5000 8.4208 PRESSURE: 2630400 -160.322 -175.786 -90.3925 -175.786 -46.1617 40.053 -90.3907 40.0525 -334.772 GPRESSURE: 2630400 -132.396 -197.556 -127.369 -272.846 -31.7238 35.9094 -104.474 78.5317 -286.255 PRESSAVG: 2630400 24.877 -8.40797 61.8435 -8.40795 9.48552 -7.0107 61.8435 -7.01064 -1.86513 GPRESSAVG: 2630400 24.4121 -6.50546 60.1841 -8.82087 10.3411 -6.13771 62.3301 -7.11927 -2.27095 TIMING: 2630400 CPU: 7633.32, 0.00288773/step Wall: 7633.32, 0.00288773/step, 1.90077 hours remaining, 208.882812 MB of memory in use. ENERGY: 2630400 724.4041 2008.6548 1971.5420 116.8620 -205657.0552 17520.0228 0.0000 0.0000 34302.2636 -149013.3059 299.5702 -183315.5695 -148915.8775 299.4869 -180.4187 -150.1249 558093.5118 10.8325 10.8274 PRESSURE: 2630600 -340.996 26.4358 74.5945 26.4347 88.9421 -23.8545 74.5942 -23.8548 61.7659 GPRESSURE: 2630600 -300.064 -1.53217 154.59 10.6456 82.01 23.9855 -46.9534 -105.058 121.984 PRESSAVG: 2630600 19.1426 19.2788 56.9334 19.2787 -13.7829 -3.38478 56.9333 -3.38474 -26.7493 GPRESSAVG: 2630600 18.4379 19.1849 60.4155 19.6055 -14.914 -4.41221 52.9701 -1.96298 -25.169 TIMING: 2630600 CPU: 7633.89, 0.00287759/step Wall: 7633.89, 0.00287759/step, 1.89393 hours remaining, 208.882812 MB of memory in use. ENERGY: 2630600 731.0010 2049.9147 1943.4548 115.3953 -206271.2264 17808.2017 0.0000 0.0000 34466.9994 -149156.2595 301.0089 -183623.2589 -149064.1340 299.6315 -63.4294 -32.0234 556026.9796 -7.1299 -7.2151 PRESSURE: 2630800 -23.2642 -65.0736 -8.7481 -65.0726 -127.421 110.613 -8.74761 110.613 -224.033 GPRESSURE: 2630800 72.2796 -83.2382 -35.2504 -110.787 -128.287 151.867 41.87 110.431 -224.156 PRESSAVG: 2630800 -0.510172 37.9543 15.8466 37.9542 -50.9399 33.0173 15.8466 33.0173 28.8906 GPRESSAVG: 2630800 0.8795 36.9233 15.6214 38.4454 -50.3251 33.7993 18.5874 33.1581 26.5625 TIMING: 2630800 CPU: 7634.47, 0.00288935/step Wall: 7634.47, 0.00288935/step, 1.90151 hours remaining, 208.882812 MB of memory in use. ENERGY: 2630800 767.0994 2120.0956 1968.3232 109.4633 -206005.6784 17637.3286 0.0000 0.0000 34308.5017 -149094.8666 299.6247 -183403.3683 -149003.0390 299.0288 -124.9058 -93.3878 558084.3036 -7.5198 -7.6277 PRESSURE: 2631000 -119.928 170.666 28.8716 170.666 -5.70847 -108.182 28.8702 -108.183 -15.9651 GPRESSURE: 2631000 -102.302 113.263 25.2289 186.497 -0.288449 -5.52353 -26.0757 -88.5113 51.299 PRESSAVG: 2631000 -43.4716 41.4408 -21.3171 41.4408 17.7726 29.7417 -21.3171 29.7418 49.705 GPRESSAVG: 2631000 -43.3605 41.7828 -22.158 41.2802 17.9856 29.8193 -22.4174 28.3588 49.4817 TIMING: 2631000 CPU: 7635.04, 0.00287819/step Wall: 7635.04, 0.00287819/step, 1.89401 hours remaining, 208.882812 MB of memory in use. ENERGY: 2631000 677.3890 2089.8162 1957.3138 117.5470 -206234.3245 17635.8974 0.0000 0.0000 34419.5643 -149336.7969 300.5946 -183756.3612 -149240.0853 299.2971 -47.2007 -17.0971 558070.9868 8.0020 8.0356 PRESSURE: 2631200 130.903 -136.663 122.577 -136.662 -155.989 -190.068 122.577 -190.066 384.672 GPRESSURE: 2631200 183.026 -139.965 213.342 -121.375 -95.61 -207.907 129.072 -165.961 356.2 PRESSAVG: 2631200 -0.64019 -28.3064 28.2884 -28.3063 -16.9149 8.72369 28.2885 8.72355 12.5064 GPRESSAVG: 2631200 -1.21046 -29.5081 28.7449 -28.0567 -17.452 7.62739 29.267 10.4836 14.0313 TIMING: 2631200 CPU: 7635.62, 0.00288522/step Wall: 7635.62, 0.00288522/step, 1.89848 hours remaining, 208.882812 MB of memory in use. ENERGY: 2631200 756.0004 2059.5663 1960.5252 102.0312 -206443.8914 17915.9844 0.0000 0.0000 34277.3605 -149372.4233 299.3527 -183649.7839 -149281.6196 299.5974 119.8621 147.8720 556029.6394 -1.6829 -1.5437 PRESSURE: 2631400 62.356 -126.674 84.5308 -126.673 -162.303 -18.4952 84.5311 -18.4942 60.6772 GPRESSURE: 2631400 153.425 -109.644 53.6387 -216.647 -154.979 -55.6602 96.667 3.33883 69.4033 PRESSAVG: 2631400 -20.3804 -6.23037 41.9031 -6.23039 42.9828 -44.4882 41.9031 -44.4881 31.2146 GPRESSAVG: 2631400 -19.8426 -5.33527 42.5095 -7.12509 42.4402 -44.8647 41.4279 -45.9044 31.2429 TIMING: 2631400 CPU: 7636.2, 0.00287348/step Wall: 7636.2, 0.00287348/step, 1.89059 hours remaining, 208.882812 MB of memory in use. ENERGY: 2631400 743.2892 2070.7872 1978.5102 109.1427 -206585.6127 17921.0317 0.0000 0.0000 34271.5919 -149491.2598 299.3023 -183762.8517 -149385.0667 298.9327 -13.0900 22.6164 557907.4294 17.9390 17.9468 PRESSURE: 2631600 -97.7717 234.182 47.9899 234.183 48.7087 -112.609 47.9916 -112.609 7.80197 GPRESSURE: 2631600 -44.4777 194.768 40.3741 194.112 118.195 -33.9943 5.25227 -158.836 -19.6076 PRESSAVG: 2631600 5.24804 26.7595 -2.64436 26.7595 -8.1693 -8.36963 -2.64437 -8.36979 -12.8356 GPRESSAVG: 2631600 6.06226 27.2587 -4.20325 24.9441 -7.82105 -8.6807 -1.99343 -7.4161 -13.4011 TIMING: 2631600 CPU: 7636.77, 0.00289492/step Wall: 7636.77, 0.00289492/step, 1.90454 hours remaining, 208.882812 MB of memory in use. ENERGY: 2631600 717.7322 2127.3628 1931.6453 112.9441 -206181.4511 17720.5842 0.0000 0.0000 34056.9028 -149514.2797 297.4274 -183571.1825 -149415.5822 298.6105 -13.7537 18.0367 556890.7470 -5.2523 -5.0533 PRESSURE: 2631800 -103.506 -75.5543 -90.6574 -75.5538 8.97309 -6.22338 -90.6581 -6.22392 -135.66 GPRESSURE: 2631800 -89.438 -83.4669 -67.5728 21.8473 52.2815 46.7862 -115.289 -36.2422 -95.2805 PRESSAVG: 2631800 15.2958 -1.96493 -31.2211 -1.96495 34.9755 -21.2072 -31.221 -21.2072 -39.0414 GPRESSAVG: 2631800 13.8201 -1.01625 -31.0582 -0.522823 36.0764 -21.3434 -30.86 -20.9731 -38.9404 TIMING: 2631800 CPU: 7637.36, 0.0029046/step Wall: 7637.36, 0.0029046/step, 1.91074 hours remaining, 208.882812 MB of memory in use. ENERGY: 2631800 748.5970 2081.0476 1953.3406 112.1082 -206478.2464 17888.7599 0.0000 0.0000 34112.7369 -149581.6562 297.9150 -183694.3931 -149487.5662 297.8785 -76.7311 -44.1457 557341.3676 3.7433 3.6520 PRESSURE: 2632000 -266.635 -40.7443 -112.013 -40.7422 -175.289 -11.0369 -112.013 -11.0368 -104.742 GPRESSURE: 2632000 -211.678 -60.7474 -198.102 -24.8744 -199.844 -79.6165 -47.8664 -20.7807 -45.8318 PRESSAVG: 2632000 -12.4103 28.1303 -23.4245 28.1304 21.1568 -6.87303 -23.4245 -6.87315 2.73658 GPRESSAVG: 2632000 -10.793 27.9258 -24.6053 28.4687 18.3095 -4.28282 -23.2243 -9.66695 3.42032 TIMING: 2632000 CPU: 7637.93, 0.00288636/step Wall: 7637.93, 0.00288636/step, 1.89858 hours remaining, 208.882812 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: 2632000 756.7532 2087.5813 1939.6782 106.6611 -206043.9368 17549.3000 0.0000 0.0000 34049.6131 -149554.3499 297.3637 -183603.9630 -149463.6026 297.8352 -182.2221 -152.4512 556954.6318 3.8277 3.6456 PRESSURE: 2632200 294.733 130.668 72.6661 130.668 121.17 -17.6425 72.6667 -17.643 -205.672 GPRESSURE: 2632200 274.933 117.437 64.2108 98.1108 170.004 22.2065 27.4959 -15.3797 -138.131 PRESSAVG: 2632200 -8.18069 39.0391 -4.5338 39.039 56.2751 22.0838 -4.53389 22.0839 -9.00728 GPRESSAVG: 2632200 -9.84656 39.5195 -3.33358 37.5871 58.8187 22.4023 -5.24099 22.1614 -10.4208 TIMING: 2632200 CPU: 7638.51, 0.00287823/step Wall: 7638.51, 0.00287823/step, 1.89307 hours remaining, 208.882812 MB of memory in use. ENERGY: 2632200 744.7278 2142.4175 1957.5446 104.5233 -206411.5723 17931.1931 0.0000 0.0000 33968.2355 -149562.9305 296.6530 -183531.1660 -149472.4964 298.4609 70.0773 102.2686 558524.1003 13.0290 12.8504 LDB: ============= START OF LOAD BALANCING ============== 7641.97 LDB: ============== END OF LOAD BALANCING =============== 7641.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7641.98 LDB: ============= START OF LOAD BALANCING ============== 7642.26 LDB: Largest compute 4821 load 0.031179 is 26.5% of average load 0.117776 LDB: Average compute 0.001719 is 1.5% of average load 0.117776 LDB: TIME 7642.26 LOAD: AVG 0.117776 MAX 0.179345 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.297 MB LDB: TIME 7642.26 LOAD: AVG 0.117776 MAX 0.179345 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.297 MB LDB: TIME 7642.26 LOAD: AVG 0.117776 MAX 0.179345 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7642.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7642.27 PRESSURE: 2632400 -71.7624 -200.093 27.5414 -200.094 -286.973 -203.813 27.5411 -203.814 30.1784 GPRESSURE: 2632400 -64.2285 -140.954 72.2309 -204.161 -236.224 -128.953 1.48041 -168.454 70.0807 PRESSAVG: 2632400 30.9199 22.1742 -42.9775 22.1742 5.08729 24.745 -42.9775 24.745 -41.5619 GPRESSAVG: 2632400 30.4897 21.7749 -42.0948 23.4967 5.12844 23.0808 -43.6538 27.1318 -41.1879 TIMING: 2632400 CPU: 7639.1, 0.00293393/step Wall: 7639.1, 0.00293393/step, 1.92955 hours remaining, 206.304688 MB of memory in use. ENERGY: 2632400 720.2420 2133.6515 1974.0159 113.8472 -206231.8268 17566.3706 0.0000 0.0000 34079.2708 -149644.4289 297.6227 -183723.6996 -149554.9366 297.6581 -109.5189 -76.7907 558799.7306 -1.8516 -1.8566 PRESSURE: 2632600 80.0853 28.3822 -180.07 28.3807 113.496 -0.656843 -180.071 -0.656629 -183.181 GPRESSURE: 2632600 147.408 104.709 -215.989 -34.8191 108.841 -110.391 -83.8648 26.535 -140.715 PRESSAVG: 2632600 15.7443 22.1594 -29.4517 22.1593 -19.2814 -31.1465 -29.4517 -31.1466 -53.4403 GPRESSAVG: 2632600 17.3106 22.7657 -30.7556 22.5643 -20.9871 -30.167 -26.7726 -30.3903 -52.3932 TIMING: 2632600 CPU: 7639.67, 0.00287184/step Wall: 7639.67, 0.00287184/step, 1.88855 hours remaining, 206.375000 MB of memory in use. ENERGY: 2632600 759.5046 2068.4763 1931.3235 103.5694 -206651.6696 17974.2166 0.0000 0.0000 34266.5617 -149548.0174 299.2584 -183814.5791 -149447.8678 297.9698 3.4667 38.5114 557804.8601 -18.9925 -18.6899 PRESSURE: 2632800 -52.216 -157.22 -96.4797 -157.22 118.939 -74.3807 -96.4807 -74.3809 99.5875 GPRESSURE: 2632800 -9.88792 -54.8721 -13.9133 -169.771 136.781 -82.5049 -98.8806 -137.248 127.9 PRESSAVG: 2632800 30.4504 22.5208 -52.6114 22.5208 -24.6752 3.57195 -52.6114 3.57199 -45.6502 GPRESSAVG: 2632800 29.3961 21.0188 -51.3794 21.3705 -22.9498 3.08505 -52.8269 1.5405 -46.538 TIMING: 2632800 CPU: 7640.25, 0.00289135/step Wall: 7640.25, 0.00289135/step, 1.90122 hours remaining, 206.375000 MB of memory in use. ENERGY: 2632800 707.5454 2122.0208 1970.8800 120.3697 -206622.9398 17976.8216 0.0000 0.0000 34255.4023 -149469.8999 299.1609 -183725.3022 -149371.7156 298.5400 55.4369 84.9310 558543.5517 -13.2917 -13.3639 PRESSURE: 2633000 -137.598 -7.69692 -55.9652 -7.69605 211.581 77.5507 -55.9645 77.5508 12.7263 GPRESSURE: 2633000 -132.855 25.2503 -3.43482 -62.2453 267.125 66.0325 -119.178 136.159 41.5028 PRESSAVG: 2633000 24.0267 10.0757 -24.2905 10.0759 24.2185 49.7395 -24.2906 49.7396 7.66048 GPRESSAVG: 2633000 24.6104 9.93429 -24.6142 10.2948 24.0118 49.8656 -26.2604 48.9927 7.70001 TIMING: 2633000 CPU: 7640.83, 0.00291197/step Wall: 7640.83, 0.00291197/step, 1.91462 hours remaining, 206.375000 MB of memory in use. ENERGY: 2633000 742.4722 2080.9128 1981.2888 109.6665 -206189.5207 17771.5492 0.0000 0.0000 34196.5781 -149307.0531 298.6472 -183503.6312 -149204.3337 298.2955 28.9032 58.5908 557071.8584 18.6352 18.7741 PRESSURE: 2633200 -16.6724 126.333 22.0176 126.332 -303.483 -88.0307 22.0171 -88.0312 -157.188 GPRESSURE: 2633200 -58.8445 149.827 63.9307 74.5202 -231.808 -70.8923 -73.3844 -80.1108 -84.0947 PRESSAVG: 2633200 65.8295 -17.7601 -41.2405 -17.7601 -48.0828 6.7253 -41.2405 6.72526 -14.6385 GPRESSAVG: 2633200 66.3046 -19.0431 -41.205 -16.3549 -48.0783 7.35728 -42.5881 8.27463 -15.0396 TIMING: 2633200 CPU: 7641.41, 0.00291415/step Wall: 7641.41, 0.00291415/step, 1.91589 hours remaining, 206.375000 MB of memory in use. ENERGY: 2633200 742.3966 2115.9355 1958.2114 113.5603 -206025.9502 17606.5392 0.0000 0.0000 34110.7863 -149378.5208 297.8980 -183489.3071 -149279.3551 298.5215 -159.1146 -124.9158 557956.1135 1.0361 1.0622 PRESSURE: 2633400 254.181 52.5919 53.5194 52.5909 53.0809 92.356 53.5186 92.3561 83.1626 GPRESSURE: 2633400 238.755 38.8919 -15.3072 90.4282 90.9661 20.5078 58.513 124.912 158.223 PRESSAVG: 2633400 39.8139 49.1475 11.9346 49.1475 -41.884 6.05195 11.9345 6.05184 29.9156 GPRESSAVG: 2633400 38.5739 50.1263 11.3334 48.4012 -41.9797 6.42193 14.9997 4.74601 31.2762 TIMING: 2633400 CPU: 7641.99, 0.0029037/step Wall: 7641.99, 0.0029037/step, 1.90886 hours remaining, 206.375000 MB of memory in use. ENERGY: 2633400 756.6853 2074.9896 1960.7012 116.5531 -206337.8631 18055.7333 0.0000 0.0000 34169.4585 -149203.7420 298.4104 -183373.2005 -149105.0348 299.0043 130.1416 162.6479 557484.0458 9.2819 9.2902 PRESSURE: 2633600 3.37199 -97.5631 -37.6338 -97.5626 -19.4961 28.0642 -37.6332 28.0638 -212.024 GPRESSURE: 2633600 2.02457 -91.2924 -17.2475 -151.038 30.5545 135.061 -65.0533 -36.0971 -164.213 PRESSAVG: 2633600 -47.0809 -43.3241 24.1982 -43.3241 -41.1222 69.4922 24.1982 69.4922 85.2551 GPRESSAVG: 2633600 -46.8668 -44.1809 25.4962 -43.3521 -41.0144 67.1627 22.7017 71.4555 85.3602 TIMING: 2633600 CPU: 7642.58, 0.00290631/step Wall: 7642.58, 0.00290632/step, 1.91042 hours remaining, 206.375000 MB of memory in use. ENERGY: 2633600 749.6594 2118.2061 1959.1680 113.2759 -206149.3742 17851.4848 0.0000 0.0000 34268.6689 -149088.9112 299.2768 -183357.5801 -148999.3127 298.8536 -76.0495 -43.8781 559518.0246 -0.9827 -0.8403 PRESSURE: 2633800 -41.1577 -6.48509 124.443 -6.48591 -149.199 54.0688 124.443 54.0688 -5.25716 GPRESSURE: 2633800 58.2232 73.677 81.4866 -2.25482 -126.389 43.9896 168.338 67.6905 -28.1937 PRESSAVG: 2633800 12.8384 9.69883 -8.25752 9.69884 -43.125 36.4806 -8.25761 36.4806 41.8401 GPRESSAVG: 2633800 13.2516 12.3239 -7.32648 8.70142 -42.8346 37.776 -7.27938 34.8406 41.09 TIMING: 2633800 CPU: 7643.16, 0.00290562/step Wall: 7643.16, 0.00290562/step, 1.9098 hours remaining, 206.375000 MB of memory in use. ENERGY: 2633800 740.7679 2148.9236 1945.9758 105.4433 -206272.1075 17829.6567 0.0000 0.0000 34250.2102 -149251.1301 299.1156 -183501.3402 -149158.8093 299.0055 -65.2046 -32.1197 558552.0920 3.8512 3.8356 PRESSURE: 2634000 1.2443 -105.387 -26.1346 -105.386 54.6764 -40.0618 -26.1343 -40.0621 12.2978 GPRESSURE: 2634000 63.1013 -96.8584 -40.4504 -99.3915 24.2032 -16.2652 -37.3261 -74.3782 73.9962 PRESSAVG: 2634000 12.3591 13.0915 -58.7121 13.0914 -28.0264 19.6844 -58.7121 19.6844 4.74258 GPRESSAVG: 2634000 12.5017 15.0452 -61.8241 13.3048 -27.9555 19.9185 -60.0114 20.1602 4.02682 TIMING: 2634000 CPU: 7643.73, 0.00288477/step Wall: 7643.73, 0.00288477/step, 1.89594 hours remaining, 206.375000 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: 2634000 737.1625 2094.9307 1973.1366 117.7649 -206065.4047 17853.1583 0.0000 0.0000 34148.7091 -149140.5426 298.2292 -183289.2517 -149041.0430 299.5390 22.7395 53.7669 555898.5848 -3.6416 -3.8090 PRESSURE: 2634200 246.544 -158.274 -71.0689 -158.276 241.866 106.742 -71.0696 106.742 38.6447 GPRESSURE: 2634200 225.005 -88.065 -44.8411 -179.277 311.226 83.4524 -81.2597 135.035 93.0578 PRESSAVG: 2634200 -19.3364 18.1379 -16.5992 18.1379 -11.1373 18.961 -16.5992 18.961 43.4154 GPRESSAVG: 2634200 -20.1624 14.4467 -15.1752 19.5847 -11.4884 18.2337 -15.4184 20.2535 44.2859 TIMING: 2634200 CPU: 7644.32, 0.00291999/step Wall: 7644.32, 0.00291999/step, 1.91892 hours remaining, 206.375000 MB of memory in use. ENERGY: 2634200 725.5900 2116.4727 1956.2356 103.9257 -206424.1318 18099.1867 0.0000 0.0000 34248.4253 -149174.2959 299.1000 -183422.7211 -149080.3699 298.9113 175.6849 209.7631 556618.5659 4.3139 4.2117 PRESSURE: 2634400 138.628 -11.9183 56.2143 -11.9175 -161.665 -83.6362 56.2139 -83.6365 -101.152 GPRESSURE: 2634400 184.188 -14.8025 35.4863 -14.7446 -143.812 -56.6342 86.3361 -100.201 -54.9947 PRESSAVG: 2634400 61.6298 36.2007 -13.8272 36.2007 -32.6444 14.8724 -13.8273 14.8723 54.5998 GPRESSAVG: 2634400 62.6265 37.3841 -11.9384 35.6262 -33.2736 15.3897 -12.7423 14.0382 54.7688 TIMING: 2634400 CPU: 7644.9, 0.00293741/step Wall: 7644.9, 0.00293741/step, 1.93021 hours remaining, 206.375000 MB of memory in use. ENERGY: 2634400 703.9838 2089.8532 1924.0735 121.5098 -205919.7711 17559.4487 0.0000 0.0000 34345.9634 -149174.9388 299.9518 -183520.9022 -149083.2830 298.9797 -41.3965 -4.8728 556778.3767 27.8617 28.0406 PRESSURE: 2634600 -86.5595 -35.6991 61.5161 -35.6987 30.0201 55.3406 61.5156 55.3409 -184.119 GPRESSURE: 2634600 -44.3858 -17.3198 -15.5375 -18.5834 48.4511 39.8474 40.4303 58.34 -164.5 PRESSAVG: 2634600 -44.4978 -38.5667 49.611 -38.5667 -19.9624 -49.3129 49.611 -49.3129 36.4881 GPRESSAVG: 2634600 -45.3702 -37.7973 48.3118 -38.3323 -18.2649 -49.8313 49.2753 -49.7193 35.1106 TIMING: 2634600 CPU: 7645.49, 0.00291356/step Wall: 7645.49, 0.00291356/step, 1.91437 hours remaining, 206.375000 MB of memory in use. ENERGY: 2634600 724.1082 2079.8719 1940.5274 117.6504 -205922.0586 17594.7051 0.0000 0.0000 34198.6944 -149266.5011 298.6657 -183465.1955 -149172.0034 298.6472 -80.2196 -53.4781 557325.9174 -9.3240 -9.5082 PRESSURE: 2634800 82.2821 52.3291 -53.6072 52.3308 35.7722 89.7122 -53.6073 89.712 17.5083 GPRESSURE: 2634800 148.105 6.42637 -64.4936 112.569 50.7595 107.963 29.0837 104.142 22.0072 PRESSAVG: 2634800 13.1105 27.0929 33.2779 27.0928 30.8801 17.7757 33.2778 17.7757 -25.3444 GPRESSAVG: 2634800 14.3778 25.4032 32.1809 28.2219 29.0156 18.2275 34.408 17.1822 -24.1278 TIMING: 2634800 CPU: 7646.07, 0.00290098/step Wall: 7646.07, 0.00290098/step, 1.90595 hours remaining, 206.375000 MB of memory in use. ENERGY: 2634800 740.1649 2134.8403 1962.2876 116.8445 -206422.4770 17933.1007 0.0000 0.0000 34179.5362 -149355.7027 298.4984 -183535.2389 -149262.7962 298.7315 45.1875 73.6238 557545.4577 6.2154 6.4219 PRESSURE: 2635000 -47.9322 4.57616 -2.40604 4.57689 143.985 293.129 -2.40735 293.129 187.018 GPRESSURE: 2635000 -33.5545 -10.0533 47.9787 -14.7259 189.518 242.052 -38.093 262.28 222.564 PRESSAVG: 2635000 37.2968 3.9566 -19.4957 3.95673 1.09801 55.2903 -19.4957 55.2903 -13.7223 GPRESSAVG: 2635000 36.6865 5.76518 -19.0961 3.11525 3.56322 54.6608 -21.7158 58.1833 -15.1263 TIMING: 2635000 CPU: 7646.65, 0.00289359/step Wall: 7646.65, 0.00289359/step, 1.90093 hours remaining, 206.375000 MB of memory in use. ENERGY: 2635000 715.4659 2134.3441 1929.4153 108.3906 -206449.5889 17937.0428 0.0000 0.0000 34187.4771 -149437.4532 298.5677 -183624.9302 -149340.6882 299.0189 94.3569 126.1759 556072.8862 8.2242 8.3745 PRESSURE: 2635200 -16.4412 -62.7997 151.656 -62.7998 -239.255 122.308 151.657 122.309 -136.373 GPRESSURE: 2635200 6.44189 -62.3155 110.909 -13.3249 -191.348 125.335 205.269 128.274 -115.247 PRESSAVG: 2635200 9.33103 -15.9923 20.6036 -15.9923 44.1176 86.807 20.6037 86.807 -43.7431 GPRESSAVG: 2635200 9.90507 -15.6181 22.3922 -16.3966 42.9892 88.4725 21.8403 84.5332 -43.2138 TIMING: 2635200 CPU: 7647.23, 0.00289308/step Wall: 7647.23, 0.00289308/step, 1.90043 hours remaining, 206.375000 MB of memory in use. ENERGY: 2635200 723.7566 2104.6450 1952.4439 104.6045 -205832.3532 17607.6929 0.0000 0.0000 34009.1955 -149330.0148 297.0108 -183339.2103 -149234.0440 299.1902 -130.6895 -100.0511 557664.2238 3.2352 3.2268 PRESSURE: 2635400 141.799 -85.6326 9.63075 -85.6334 -61.5669 33.1834 9.62989 33.1823 69.9755 GPRESSURE: 2635400 192.616 -165.908 66.4736 -42.4547 -10.8568 14.1001 -13.8853 14.9951 71.9911 PRESSAVG: 2635400 32.9608 -7.72355 -16.7889 -7.7235 -17.5886 -11.4542 -16.7889 -11.4543 -6.3358 GPRESSAVG: 2635400 33.4284 -9.35631 -18.0257 -8.57607 -18.0983 -13.6034 -17.2266 -10.8932 -6.57754 TIMING: 2635400 CPU: 7647.8, 0.00287987/step Wall: 7647.8, 0.00287987/step, 1.8916 hours remaining, 206.375000 MB of memory in use. ENERGY: 2635400 754.0093 2177.5009 1956.7506 111.6690 -206556.4227 18088.4076 0.0000 0.0000 34257.9692 -149210.1161 299.1834 -183468.0853 -149110.8654 299.0617 50.0692 84.5835 557451.9027 3.0121 2.9175 PRESSURE: 2635600 -57.1099 -7.24845 -36.474 -7.247 -233.049 43.1115 -36.4723 43.1116 -265.263 GPRESSURE: 2635600 18.1841 59.072 -47.4533 -124.817 -190.04 -48.916 -52.0397 50.0815 -284.409 PRESSAVG: 2635600 -3.35162 6.16003 -1.09277 6.16001 6.69787 -23.0417 -1.09275 -23.0416 -25.4891 GPRESSAVG: 2635600 -3.46986 9.79147 -0.942641 6.3715 6.3471 -21.6908 -2.31125 -23.574 -25.1503 TIMING: 2635600 CPU: 7648.38, 0.00287911/step Wall: 7648.38, 0.00287911/step, 1.89094 hours remaining, 206.375000 MB of memory in use. ENERGY: 2635600 785.0379 2068.2533 1965.2417 120.4956 -206416.2213 17762.3967 0.0000 0.0000 34444.1290 -149270.6670 300.8091 -183714.7960 -149172.4462 299.5205 -185.1405 -152.0884 559380.9310 -7.3810 -7.4244 PRESSURE: 2635800 -83.4291 70.4303 66.4079 70.4309 82.2759 -110.707 66.407 -110.709 61.6274 GPRESSURE: 2635800 -43.7624 122.045 75.7988 115.265 126.172 -12.3383 119.019 -114.452 87.684 PRESSAVG: 2635800 29.5816 8.37639 19.7677 8.37644 -50.4716 12.7911 19.7678 12.791 10.933 GPRESSAVG: 2635800 28.034 5.14961 20.7673 9.08002 -48.7448 11.3363 19.7592 13.5221 10.5735 TIMING: 2635800 CPU: 7648.95, 0.00288103/step Wall: 7648.95, 0.00288103/step, 1.89204 hours remaining, 206.375000 MB of memory in use. ENERGY: 2635800 754.8347 2098.4215 1933.0364 107.6761 -206048.7928 17820.9887 0.0000 0.0000 34191.9220 -149141.9133 298.6066 -183333.8353 -149042.4620 298.9895 20.1581 56.6980 558565.5006 -3.3190 -3.3791 PRESSURE: 2636000 128.133 -98.9322 51.9038 -98.9308 77.6461 24.2995 51.9048 24.299 -25.7323 GPRESSURE: 2636000 190.503 -70.9203 132.258 -111.686 146.409 6.55791 -28.0498 79.5948 -44.085 PRESSAVG: 2636000 31.471 -0.774806 6.34756 -0.774692 -56.5273 -0.689373 6.34744 -0.689494 13.1127 GPRESSAVG: 2636000 32.8632 1.46527 3.97678 -2.33325 -57.2248 -0.928302 8.19505 0.732041 12.6602 TIMING: 2636000 CPU: 7649.53, 0.00288339/step Wall: 7649.53, 0.00288339/step, 1.89343 hours remaining, 206.375000 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: 2636000 806.4375 2098.1825 1960.6082 117.5908 -206288.7032 18103.6553 0.0000 0.0000 34075.5928 -149126.6361 297.5906 -183202.2289 -149029.1198 299.5812 60.0156 97.6090 556964.3688 -3.9812 -3.9005 PRESSURE: 2636200 164.179 -75.2132 -2.44273 -75.2135 -44.2397 -119.53 -2.44291 -119.53 18.0056 GPRESSURE: 2636200 181.817 -67.9274 5.97263 -74.0848 -31.104 -119.692 -47.0288 -233.747 80.4912 PRESSAVG: 2636200 -11.3507 2.63846 36.4573 2.63847 57.9108 27.6417 36.4573 27.6415 -44.1615 GPRESSAVG: 2636200 -12.0181 -0.212029 36.2615 4.53306 56.9637 30.4626 35.9117 24.956 -42.7776 TIMING: 2636200 CPU: 7650.11, 0.00288499/step Wall: 7650.11, 0.00288499/step, 1.89431 hours remaining, 206.375000 MB of memory in use. ENERGY: 2636200 754.9017 2110.5676 1938.5367 108.2585 -206677.7518 18081.0852 0.0000 0.0000 34452.9009 -149231.5012 300.8858 -183684.4022 -149133.0523 299.4188 45.9816 77.0679 557721.1075 0.7995 0.7227 LDB: ============= START OF LOAD BALANCING ============== 7653.57 LDB: ============== END OF LOAD BALANCING =============== 7653.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7653.57 LDB: ============= START OF LOAD BALANCING ============== 7653.86 LDB: Largest compute 4821 load 0.031856 is 27.1% of average load 0.117729 LDB: Average compute 0.001715 is 1.5% of average load 0.117729 LDB: TIME 7653.87 LOAD: AVG 0.117729 MAX 0.179507 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 7653.87 LOAD: AVG 0.117729 MAX 0.179507 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.055 MB LDB: TIME 7653.87 LOAD: AVG 0.117729 MAX 0.179507 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.055 MB LDB: ============== END OF LOAD BALANCING =============== 7653.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7653.87 PRESSURE: 2636400 70.7185 119.573 -42.1111 119.573 -74.9298 -165.529 -42.1107 -165.53 213.146 GPRESSURE: 2636400 87.3221 57.8809 -32.2976 188.551 -107.618 -125.549 81.6846 -171.227 316.7 PRESSAVG: 2636400 3.81183 11.8006 2.92954 11.8007 -25.5173 -30.7987 2.92954 -30.7987 -2.04223 GPRESSAVG: 2636400 3.35209 12.4005 5.78782 11.4192 -24.4844 -31.5655 3.14579 -29.4049 -3.16195 TIMING: 2636400 CPU: 7650.7, 0.00295112/step Wall: 7650.7, 0.00295112/step, 1.93757 hours remaining, 207.792969 MB of memory in use. ENERGY: 2636400 750.4670 2141.9252 1957.2490 123.2138 -206454.7054 17839.0427 0.0000 0.0000 34211.5984 -149431.2092 298.7784 -183642.8076 -149327.7381 298.5044 69.6450 98.8013 558184.2165 -7.9159 -8.0981 PRESSURE: 2636600 -61.1092 54.4206 -53.4877 54.4212 62.1961 103.98 -53.4874 103.98 -190.932 GPRESSURE: 2636600 -19.4585 91.6558 62.8485 -25.018 90.9741 -2.26367 -132.055 204.521 -162.652 PRESSAVG: 2636600 -63.5936 25.0265 -6.09555 25.0264 -3.61015 19.7708 -6.09567 19.7707 54.9565 GPRESSAVG: 2636600 -63.4564 27.8821 -6.03881 23.5253 -3.21468 18.4384 -6.6804 18.6968 54.3304 TIMING: 2636600 CPU: 7651.28, 0.00289221/step Wall: 7651.28, 0.00289221/step, 1.89874 hours remaining, 207.992188 MB of memory in use. ENERGY: 2636600 766.3169 2083.8787 1970.2379 112.3304 -206237.9527 17825.2827 0.0000 0.0000 34181.1386 -149298.7675 298.5124 -183479.9061 -149206.9244 298.7253 -63.2817 -30.3788 557276.4836 -4.0824 -4.1136 PRESSURE: 2636800 80.2154 48.9653 46.515 48.965 67.0393 -114.416 46.5171 -114.416 -20.3832 GPRESSURE: 2636800 92.5896 61.4143 -45.1794 71.3494 75.273 -48.822 73.4763 -143.042 54.9095 PRESSAVG: 2636800 -23.0708 -24.5352 -31.8961 -24.5352 14.6312 54.3914 -31.8961 54.3913 -15.1888 GPRESSAVG: 2636800 -23.2382 -25.3621 -33.9772 -25.0731 13.9215 54.9808 -30.5696 55.1147 -14.7218 TIMING: 2636800 CPU: 7651.85, 0.00286644/step Wall: 7651.85, 0.00286644/step, 1.88166 hours remaining, 207.992188 MB of memory in use. ENERGY: 2636800 743.0263 2026.2941 1961.2194 103.4695 -206623.3197 18018.1867 0.0000 0.0000 34281.6656 -149489.4581 299.3903 -183771.1237 -149398.6430 298.8503 42.2905 74.2574 557648.4759 -7.8762 -8.0129 PRESSURE: 2637000 122.539 38.437 106.644 38.4376 -396.53 71.955 106.643 71.9548 289.401 GPRESSURE: 2637000 117.268 102.978 211.834 31.5327 -340.418 101.943 110.764 50.8863 319.987 PRESSAVG: 2637000 25.9362 21.3432 47.6593 21.3432 33.9713 9.05871 47.6592 9.05871 -14.6261 GPRESSAVG: 2637000 26.8193 21.7307 48.7866 22.0326 34.1033 8.6587 46.749 8.84584 -15.3363 TIMING: 2637000 CPU: 7652.42, 0.0028784/step Wall: 7652.42, 0.0028784/step, 1.88935 hours remaining, 207.992188 MB of memory in use. ENERGY: 2637000 739.8626 2089.2507 1957.1129 124.9087 -206166.7080 17783.5851 0.0000 0.0000 34120.8861 -149351.1019 297.9862 -183471.9880 -149261.1131 298.5688 5.1366 32.2790 558059.4131 15.0938 15.1954 PRESSURE: 2637200 -48.7102 212.424 39.2456 212.424 148.997 50.1754 39.2451 50.1762 228.359 GPRESSURE: 2637200 -29.5618 145.822 -7.27769 302.073 192.443 77.2252 97.7924 43.1179 264.538 PRESSAVG: 2637200 33.5056 13.4578 31.4253 13.4578 -16.2437 76.9541 31.4253 76.954 -41.6665 GPRESSAVG: 2637200 31.564 11.9178 31.4684 14.4855 -14.5767 77.7967 31.9629 77.9443 -41.2734 TIMING: 2637200 CPU: 7653, 0.00287404/step Wall: 7653, 0.00287404/step, 1.88633 hours remaining, 207.992188 MB of memory in use. ENERGY: 2637200 676.2414 2103.9805 1953.3916 112.6782 -206042.5738 17760.9290 0.0000 0.0000 34297.3831 -149137.9700 299.5276 -183435.3530 -149043.8389 298.6810 109.5483 142.4728 558477.3600 -8.1349 -8.0954 PRESSURE: 2637400 -37.3673 41.2036 102.88 41.2016 97.6618 92.056 102.88 92.056 -62.2874 GPRESSURE: 2637400 -14.1615 45.6533 -7.15445 77.4996 111.989 134.894 128.998 69.8286 -4.18676 PRESSAVG: 2637400 -3.63417 22.8279 43.6614 22.8279 -5.19578 44.7392 43.6615 44.7392 7.05943 GPRESSAVG: 2637400 -1.04687 21.3289 42.8438 23.5942 -6.67631 45.2119 43.5028 42.2282 6.44802 TIMING: 2637400 CPU: 7653.58, 0.00289815/step Wall: 7653.58, 0.00289815/step, 1.90199 hours remaining, 207.992188 MB of memory in use. ENERGY: 2637400 740.4677 2064.2052 1970.7906 114.0189 -206019.3968 17734.1133 0.0000 0.0000 34189.2530 -149206.5481 298.5833 -183395.8011 -149112.3173 298.9345 -0.6643 31.2134 558367.2185 -0.5902 -0.4251 PRESSURE: 2637600 58.469 -44.1013 -62.9586 -44.103 52.1867 -29.3642 -62.9586 -29.3623 -72.9656 GPRESSURE: 2637600 137.029 56.3136 -10.8102 -136.922 36.7216 14.0655 50.0694 -64.2407 -37.0024 PRESSAVG: 2637600 94.7309 4.32386 24.1113 4.32378 9.66189 58.4958 24.1113 58.4958 -118.363 GPRESSAVG: 2637600 93.7489 5.46306 23.7302 2.40223 8.72085 57.8972 24.1963 58.8861 -116.668 TIMING: 2637600 CPU: 7654.16, 0.00290182/step Wall: 7654.16, 0.00290182/step, 1.90424 hours remaining, 208.195312 MB of memory in use. ENERGY: 2637600 732.3183 2035.0872 1945.6538 104.5077 -206015.7466 17657.8450 0.0000 0.0000 34563.8439 -148976.4909 301.8546 -183540.3348 -148885.3587 299.2133 12.5634 45.5827 556396.9023 -4.6567 -4.7326 PRESSURE: 2637800 325.809 -51.8191 13.0988 -51.8197 221.807 92.143 13.0984 92.1439 -108.933 GPRESSURE: 2637800 334.406 -41.855 60.8712 -39.1657 253.155 4.91784 -3.59628 107.282 -49.4987 PRESSAVG: 2637800 -10.4846 6.71728 -61.6006 6.7173 -10.1323 -17.0306 -61.6006 -17.0305 -34.6984 GPRESSAVG: 2637800 -10.6177 4.8617 -60.7821 7.34821 -8.57787 -17.2269 -61.794 -16.3355 -36.4224 TIMING: 2637800 CPU: 7654.74, 0.00289987/step Wall: 7654.74, 0.00289987/step, 1.9028 hours remaining, 208.195312 MB of memory in use. ENERGY: 2637800 723.5923 2044.9349 1957.8844 102.1506 -206120.7397 17990.5445 0.0000 0.0000 34484.3187 -148817.3144 301.1601 -183301.6330 -148722.1926 299.7578 146.2275 179.3539 557018.7320 -18.4384 -18.5393 PRESSURE: 2638000 90.7483 145.557 -49.4802 145.557 -195.523 -56.4194 -49.4789 -56.4188 99.1591 GPRESSURE: 2638000 69.6427 112.825 8.97166 116.594 -130.204 -20.4053 -57.1558 -25.733 141.901 PRESSAVG: 2638000 13.7403 4.96157 -20.172 4.96159 -7.36902 6.98649 -20.1721 6.98646 10.5859 GPRESSAVG: 2638000 14.3402 7.28443 -19.6132 3.22528 -8.6169 8.57068 -20.2525 6.89235 11.103 TIMING: 2638000 CPU: 7655.32, 0.00291144/step Wall: 7655.32, 0.00291144/step, 1.91023 hours remaining, 208.398438 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: 2638000 769.4908 2065.3917 1964.2205 100.8131 -205817.8887 17647.9284 0.0000 0.0000 34458.8260 -148811.2183 300.9375 -183270.0443 -148716.9059 300.1949 -1.8720 27.1135 556266.9582 5.6524 5.6088 PRESSURE: 2638200 -99.5694 -114.551 -45.1281 -114.552 89.8943 83.1257 -45.1268 83.1258 -140.658 GPRESSURE: 2638200 -144.024 -150.643 -30.2534 -93.1494 154.798 167.595 -61.6246 56.022 -60.3689 PRESSAVG: 2638200 10.4514 -56.054 -23.2458 -56.0541 27.8734 -17.5722 -23.2457 -17.5721 -68.6307 GPRESSAVG: 2638200 9.60983 -56.8854 -23.9479 -56.1522 28.2537 -18.989 -22.318 -15.0648 -68.049 TIMING: 2638200 CPU: 7655.9, 0.00287658/step Wall: 7655.9, 0.00287658/step, 1.8872 hours remaining, 208.398438 MB of memory in use. ENERGY: 2638200 773.7800 2057.6083 1972.5987 113.0676 -206026.5569 17669.3829 0.0000 0.0000 34403.0365 -149037.0829 300.4503 -183440.1194 -148937.4830 300.6296 -50.1110 -16.5314 555313.7874 -10.1019 -10.0618 PRESSURE: 2638400 182.156 140.896 -58.051 140.897 65.073 -143.346 -58.0492 -143.346 -2.98396 GPRESSURE: 2638400 220.164 178.913 -38.0041 76.9942 86.5125 -182.422 -99.244 -77.4516 33.8532 PRESSAVG: 2638400 -3.34825 -34.8635 1.43668 -34.8635 88.5104 0.499683 1.43673 0.499591 -43.1489 GPRESSAVG: 2638400 -4.35481 -32.9806 0.00608557 -36.0591 89.8516 1.09981 2.2065 -1.21386 -43.5152 TIMING: 2638400 CPU: 7656.47, 0.00289023/step Wall: 7656.47, 0.00289023/step, 1.89599 hours remaining, 208.398438 MB of memory in use. ENERGY: 2638400 746.7027 2045.4758 1962.9569 113.3755 -206341.6475 17904.6468 0.0000 0.0000 34508.1488 -149060.3410 301.3682 -183568.4898 -148968.4042 299.2998 81.4150 113.5098 555533.3054 14.0044 13.9939 PRESSURE: 2638600 111.979 3.47126 -44.7275 3.47044 97.1086 163.037 -44.7283 163.038 -52.4421 GPRESSURE: 2638600 112.471 -31.3505 -91.1456 -41.5417 179.566 147.146 7.67624 164.997 -48.5865 PRESSAVG: 2638600 -31.5544 -52.5371 5.95246 -52.5372 38.0138 34.2124 5.95235 34.2125 -13.4511 GPRESSAVG: 2638600 -31.3291 -52.8467 7.21712 -50.0772 37.5309 35.1362 6.50867 33.4567 -13.6331 TIMING: 2638600 CPU: 7657.05, 0.00288843/step Wall: 7657.05, 0.00288844/step, 1.89465 hours remaining, 208.398438 MB of memory in use. ENERGY: 2638600 748.2467 2097.5646 1968.9962 126.2147 -205916.0504 17816.9281 0.0000 0.0000 34312.7613 -148845.3389 299.6619 -183158.1002 -148751.1609 300.0019 52.2152 81.1501 557363.4373 -2.3306 -2.4771 PRESSURE: 2638800 -105.504 -112.157 -5.05831 -112.158 -220.864 96.6282 -5.05726 96.6291 -113.612 GPRESSURE: 2638800 -52.8804 -41.8342 -81.7118 -139.275 -192.113 129.761 45.274 11.5309 -119.719 PRESSAVG: 2638800 41.8904 -7.37545 -19.7926 -7.37542 12.248 36.5754 -19.7926 36.5755 -77.1408 GPRESSAVG: 2638800 40.9154 -8.97083 -19.287 -7.95487 13.4562 35.8496 -23.0592 36.9464 -77.4082 TIMING: 2638800 CPU: 7657.63, 0.00288849/step Wall: 7657.63, 0.00288849/step, 1.89453 hours remaining, 208.398438 MB of memory in use. ENERGY: 2638800 736.6571 2101.8959 1953.3405 111.4056 -205492.1743 17537.1871 0.0000 0.0000 34219.9357 -148831.7525 298.8512 -183051.6882 -148734.6716 300.1910 -146.6602 -121.5707 558246.0862 -7.6675 -7.6789 PRESSURE: 2639000 -68.4709 193.603 69.523 193.603 265.275 -28.9271 69.5232 -28.9261 25.3015 GPRESSURE: 2639000 21.6593 215.285 45.0333 212.217 234.093 -37.6298 88.7326 -22.5502 57.0965 PRESSAVG: 2639000 -24.0534 -4.23305 43.4045 -4.23302 10.7006 23.1411 43.4045 23.1411 -34.5667 GPRESSAVG: 2639000 -23.1702 -3.26972 41.9286 -5.279 9.24398 24.0611 45.175 21.3903 -34.027 TIMING: 2639000 CPU: 7658.21, 0.00289117/step Wall: 7658.21, 0.00289117/step, 1.89613 hours remaining, 208.398438 MB of memory in use. ENERGY: 2639000 757.3768 2109.4631 1975.3335 107.5447 -206064.7741 17832.0835 0.0000 0.0000 34525.8881 -148757.0845 301.5232 -183282.9725 -148660.2059 300.3168 74.0353 104.2831 557438.3526 -15.9731 -15.9844 PRESSURE: 2639200 54.4815 235.186 42.6376 235.185 85.7652 132.872 42.6382 132.872 126.456 GPRESSURE: 2639200 119.577 209.093 -60.4408 161.443 63.9758 24.1515 29.073 43.3255 184.621 PRESSAVG: 2639200 2.54318 4.64967 8.48114 4.6497 44.9986 20.9491 8.48117 20.949 -16.7586 GPRESSAVG: 2639200 1.83736 2.72915 7.83021 6.52242 44.6836 19.2124 5.46259 23.0624 -15.6312 TIMING: 2639200 CPU: 7658.79, 0.00289301/step Wall: 7658.79, 0.00289301/step, 1.89717 hours remaining, 208.398438 MB of memory in use. ENERGY: 2639200 730.1566 2066.5028 1979.5897 116.7414 -206221.8029 17953.7052 0.0000 0.0000 34458.0166 -148917.0907 300.9304 -183375.1073 -148821.0479 299.5944 88.9009 122.7246 558240.1029 10.2611 10.2966 PRESSURE: 2639400 62.6129 -98.1841 116.815 -98.1855 250.218 -2.303 116.814 -2.30271 -43.4595 GPRESSURE: 2639400 172.444 -112.652 120.354 -85.9599 248.183 13.8126 194.588 -21.9402 -59.8342 PRESSAVG: 2639400 27.4894 -11.6366 30.4386 -11.6365 30.1963 1.37103 30.4386 1.37103 -31.3374 GPRESSAVG: 2639400 28.98 -10.3539 31.5206 -11.5162 29.2003 -0.000657333 31.639 0.754121 -31.5373 TIMING: 2639400 CPU: 7659.37, 0.00290875/step Wall: 7659.37, 0.00290875/step, 1.90734 hours remaining, 208.398438 MB of memory in use. ENERGY: 2639400 705.5237 2108.6670 1967.8960 95.5110 -206103.2119 17807.3453 0.0000 0.0000 34549.2412 -148869.0276 301.7271 -183418.2688 -148777.9716 299.7027 89.7906 120.2640 558176.9735 8.7828 8.8810 PRESSURE: 2639600 109.035 110.99 -89.1804 110.989 -207.94 -61.4378 -89.1797 -61.4354 -77.4771 GPRESSURE: 2639600 182.204 123.707 -33.5114 18.0081 -172.711 -9.15999 -129.848 -21.5593 -87.9591 PRESSAVG: 2639600 -20.9375 24.8674 -32.9753 24.8673 -9.0207 -81.1594 -32.9753 -81.1595 20.4499 GPRESSAVG: 2639600 -20.4688 24.3533 -31.3103 22.988 -6.93821 -76.6188 -31.9197 -82.4054 17.9776 TIMING: 2639600 CPU: 7659.95, 0.00289809/step Wall: 7659.95, 0.00289809/step, 1.90018 hours remaining, 208.398438 MB of memory in use. ENERGY: 2639600 744.5208 2042.6730 1980.3148 116.0335 -206130.4824 17724.6141 0.0000 0.0000 34538.5839 -148983.7423 301.6340 -183522.3263 -148886.9800 300.6181 -58.7938 -26.1555 557606.4291 -3.1694 -3.1431 PRESSURE: 2639800 -336.384 -52.999 -60.3429 -53.0002 -211.684 -74.0756 -60.3428 -74.077 7.16571 GPRESSURE: 2639800 -296.965 -40.3932 -58.2617 -39.2721 -177.942 -79.8737 -16.5394 -62.9981 16.7657 PRESSAVG: 2639800 17.7019 56.4941 6.2441 56.4942 -68.8494 -25.3494 6.24414 -25.3495 33.2725 GPRESSAVG: 2639800 18.2062 57.6798 6.23452 56.6557 -71.2445 -28.3739 3.14796 -24.3949 35.1063 TIMING: 2639800 CPU: 7660.53, 0.0028933/step Wall: 7660.53, 0.0028933/step, 1.89688 hours remaining, 208.398438 MB of memory in use. ENERGY: 2639800 748.2708 2070.7719 1967.5053 108.9498 -206173.3443 17645.3316 0.0000 0.0000 34549.2007 -149083.3144 301.7268 -183632.5151 -148983.0605 299.5568 -180.3006 -152.7137 557468.1277 -5.9583 -5.9773 PRESSURE: 2640000 -255.718 101.31 138.789 101.31 -97.1248 24.311 138.787 24.3103 -53.0903 GPRESSURE: 2640000 -221.716 68.9788 177.814 152.165 -67.3457 -15.749 94.1463 3.14935 -22.664 PRESSAVG: 2640000 -26.0917 10.6497 7.23506 10.6497 -44.8357 -9.06135 7.23502 -9.06151 99.7745 GPRESSAVG: 2640000 -26.391 9.86381 6.98753 11.8601 -43.6699 -8.94241 10.058 -7.8181 98.5714 TIMING: 2640000 CPU: 7661.11, 0.00290473/step Wall: 7661.11, 0.00290473/step, 1.90421 hours remaining, 208.398438 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: 2640000 789.8639 2124.8824 1977.6729 112.6239 -205757.4665 17434.3138 0.0000 0.0000 34280.8969 -149037.2128 299.3836 -183318.1097 -148949.1533 299.5686 -135.3110 -103.9085 558689.3357 9.6157 9.5035 PRESSURE: 2640200 152.195 24.3168 -79.1422 24.3165 -129.948 96.0464 -79.1436 96.0471 205.92 GPRESSURE: 2640200 177.895 -29.6545 -42.4927 113.515 -70.2595 126.478 -46.7321 35.5415 225.267 PRESSAVG: 2640200 -25.0213 19.915 3.85825 19.915 36.4273 67.3761 3.85827 67.376 24.5068 GPRESSAVG: 2640200 -25.4099 19.622 3.08879 19.7707 36.5173 66.0927 2.50239 67.6795 24.6593 TIMING: 2640200 CPU: 7661.69, 0.0029161/step Wall: 7661.69, 0.0029161/step, 1.9115 hours remaining, 208.398438 MB of memory in use. ENERGY: 2640200 727.6284 2088.6419 1971.9462 112.0296 -206177.6101 18009.0006 0.0000 0.0000 34242.1493 -149026.2141 299.0452 -183268.3635 -148933.8032 300.2616 76.0558 110.9677 557782.9388 11.9710 11.9222 LDB: ============= START OF LOAD BALANCING ============== 7665.16 LDB: ============== END OF LOAD BALANCING =============== 7665.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7665.16 LDB: ============= START OF LOAD BALANCING ============== 7665.45 LDB: Largest compute 4821 load 0.031181 is 26.5% of average load 0.117695 LDB: Average compute 0.001732 is 1.5% of average load 0.117695 LDB: TIME 7665.45 LOAD: AVG 0.117695 MAX 0.176554 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.879 MB LDB: TIME 7665.45 LOAD: AVG 0.117695 MAX 0.176554 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 7665.45 LOAD: AVG 0.117695 MAX 0.176554 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7665.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7665.46 PRESSURE: 2640400 105.814 -83.2521 124.249 -83.253 -220.639 10.4447 124.25 10.4462 -0.238599 GPRESSURE: 2640400 128.279 -143.738 170.468 -63.4241 -180.742 81.5254 70.6186 60.0206 33.9123 PRESSAVG: 2640400 -33.0871 34.604 73.6875 34.6041 1.57004 -8.89673 73.6874 -8.89665 22.7022 GPRESSAVG: 2640400 -33.0177 35.7888 74.3205 34.5809 1.08687 -6.80241 75.0832 -10.14 23.1957 TIMING: 2640400 CPU: 7662.28, 0.00294666/step Wall: 7662.28, 0.00294666/step, 1.93137 hours remaining, 206.656250 MB of memory in use. ENERGY: 2640400 738.2770 2111.7247 1968.6125 107.9790 -205790.4756 17629.1555 0.0000 0.0000 34191.9517 -149042.7752 298.6068 -183234.7268 -148948.3438 299.0781 -38.3543 -6.1836 557749.1466 -2.9383 -2.9117 PRESSURE: 2640600 -224.165 26.0273 -201.93 26.0267 -83.5442 -21.9451 -201.932 -21.9447 -1.5142 GPRESSURE: 2640600 -161.063 3.35198 -300.977 91.4684 -82.2124 -46.5187 -185.431 -18.7667 22.8123 PRESSAVG: 2640600 35.9202 -21.0222 -31.0893 -21.0223 -28.9578 46.1157 -31.0894 46.1157 -21.489 GPRESSAVG: 2640600 35.4461 -23.125 -31.3365 -20.312 -27.8349 46.3768 -33.1983 46.5041 -21.8423 TIMING: 2640600 CPU: 7662.86, 0.0028943/step Wall: 7662.86, 0.0028943/step, 1.89689 hours remaining, 206.726562 MB of memory in use. ENERGY: 2640600 712.4707 2152.9347 1964.7259 112.8428 -206129.6467 17673.8666 0.0000 0.0000 34526.7871 -148986.0190 301.5310 -183512.8061 -148884.0591 299.6500 -103.0746 -73.4876 559909.0760 -4.8422 -4.7437 PRESSURE: 2640800 29.2336 -99.4212 -164.298 -99.4213 -61.3366 -87.1087 -164.298 -87.1079 -323.248 GPRESSURE: 2640800 -23.6565 -115.901 -148.373 -139.566 -1.89203 -50.4954 -114.78 -212.919 -225.19 PRESSAVG: 2640800 75.5894 -61.2907 -20.5167 -61.2907 -35.6071 -39.7771 -20.5168 -39.7771 -16.8632 GPRESSAVG: 2640800 75.9805 -60.3261 -20.1277 -63.0376 -36.2124 -40.6068 -19.7872 -40.1164 -16.2599 TIMING: 2640800 CPU: 7663.44, 0.00289882/step Wall: 7663.44, 0.00289882/step, 1.8997 hours remaining, 206.804688 MB of memory in use. ENERGY: 2640800 800.9794 2104.2823 1950.3865 135.5425 -206149.1749 17877.7061 0.0000 0.0000 34369.6034 -148910.6748 300.1583 -183280.2782 -148813.3116 299.3667 -118.4505 -83.5797 557909.7463 7.7064 7.8361 PRESSURE: 2641000 119.839 -40.1626 -125.812 -40.1635 -198.267 -60.2452 -125.813 -60.2451 -328.772 GPRESSURE: 2641000 108.572 -58.5823 -47.9044 -41.4242 -158.065 -4.20425 -104.435 -74.2635 -250.122 PRESSAVG: 2641000 -10.9323 -9.04928 -24.5339 -9.04913 -9.08597 12.8813 -24.5339 12.8813 26.5542 GPRESSAVG: 2641000 -10.4618 -9.4143 -26.1423 -7.90565 -9.74922 13.6632 -23.1781 13.0942 26.8257 TIMING: 2641000 CPU: 7664.02, 0.00289101/step Wall: 7664.02, 0.00289101/step, 1.89442 hours remaining, 206.804688 MB of memory in use. ENERGY: 2641000 757.4508 2102.3923 1959.4333 108.6823 -205801.2160 17723.9097 0.0000 0.0000 34295.3817 -148853.9659 299.5101 -183149.3476 -148757.2479 299.8349 -135.7333 -99.8717 558580.8435 2.1786 2.2049 PRESSURE: 2641200 213.985 54.9342 -15.2034 54.9351 -194.464 -84.7754 -15.2039 -84.7762 69.6074 GPRESSURE: 2641200 292.05 14.9291 6.67424 81.1918 -246.431 -52.7757 -71.1487 -101.152 158.105 PRESSAVG: 2641200 87.6551 -21.8764 -24.4612 -21.8763 -56.7305 -21.8282 -24.4612 -21.8282 -94.1172 GPRESSAVG: 2641200 86.4129 -22.1485 -22.9658 -22.7972 -56.2779 -22.592 -25.9091 -22.1533 -93.5078 TIMING: 2641200 CPU: 7664.59, 0.00287709/step Wall: 7664.59, 0.00287709/step, 1.88513 hours remaining, 206.804688 MB of memory in use. ENERGY: 2641200 702.3055 2134.3000 1991.9532 115.9732 -205938.6787 17832.2857 0.0000 0.0000 34371.9457 -148789.9154 300.1788 -183161.8610 -148692.5155 300.4686 29.7094 67.9078 558023.1394 -21.0642 -21.1243 PRESSURE: 2641400 -33.6766 -76.7799 -25.4347 -76.7797 -121.218 -84.926 -25.4344 -84.9245 -245.368 GPRESSURE: 2641400 -8.0961 -63.7963 -67.6133 -24.5137 -79.8271 -77.5795 -10.8528 -109.809 -211.068 PRESSAVG: 2641400 90.201 -50.8921 -77.3381 -50.8922 -31.7118 15.9383 -77.338 15.9383 -45.2627 GPRESSAVG: 2641400 90.0417 -51.4736 -77.2333 -49.3864 -31.8131 17.1046 -76.0746 16.4369 -44.2619 TIMING: 2641400 CPU: 7665.17, 0.00286978/step Wall: 7665.17, 0.00286978/step, 1.88018 hours remaining, 206.804688 MB of memory in use. ENERGY: 2641400 800.3939 2058.8099 1979.0612 118.6057 -205911.0121 17610.9580 0.0000 0.0000 34520.4653 -148822.7181 301.4758 -183343.1834 -148725.3509 300.5861 -133.4211 -99.6638 557412.2660 4.4088 4.6556 PRESSURE: 2641600 52.7391 83.1117 -77.4127 83.1104 -4.01212 -13.1564 -77.4128 -13.1556 -118.406 GPRESSURE: 2641600 48.4034 81.1833 -79.3953 118.323 13.7092 38.4159 -122.602 -5.88618 -25.8616 PRESSAVG: 2641600 28.7813 -20.0884 -37.3323 -20.0883 -10.7785 -5.74405 -37.3323 -5.74407 -33.3542 GPRESSAVG: 2641600 29.7369 -17.7966 -35.6129 -22.5875 -10.6594 -4.96495 -39.0366 -6.84537 -35.0953 TIMING: 2641600 CPU: 7665.74, 0.00287757/step Wall: 7665.74, 0.00287757/step, 1.88513 hours remaining, 207.007812 MB of memory in use. ENERGY: 2641600 746.6802 2051.7272 1964.4201 111.3765 -206414.9028 17851.0988 0.0000 0.0000 34475.3281 -149214.2719 301.0816 -183689.5999 -149121.3849 300.0012 -23.2263 12.0837 557531.5954 -5.1171 -5.3393 PRESSURE: 2641800 50.1399 -59.871 7.21537 -59.8714 -176.675 -15.6848 7.21443 -15.6846 -273.88 GPRESSURE: 2641800 55.8355 -127.665 -54.7796 -74.2014 -187.289 49.8697 79.9745 -81.3219 -168.968 PRESSAVG: 2641800 23.2452 14.7385 -21.8349 14.7385 -28.7794 -68.1264 -21.8349 -68.1264 21.8791 GPRESSAVG: 2641800 23.0019 11.7133 -23.9678 16.7905 -28.5315 -70.2865 -21.7558 -67.1082 22.0961 TIMING: 2641800 CPU: 7666.32, 0.00288046/step Wall: 7666.32, 0.00288046/step, 1.88686 hours remaining, 207.007812 MB of memory in use. ENERGY: 2641800 757.1424 2072.7092 1963.7922 109.5366 -206258.7798 17632.9908 0.0000 0.0000 34189.0254 -149533.5832 298.5813 -183722.6086 -149433.9592 298.8811 -133.4717 -100.1405 555957.3077 5.4483 5.5222 PRESSURE: 2642000 188.912 71.0183 99.3078 71.0182 -47.9965 43.5893 99.3087 43.5901 -28.5818 GPRESSURE: 2642000 175.776 33.8006 71.3608 58.4974 61.8808 -121.458 99.2817 67.9077 -23.6365 PRESSAVG: 2642000 -7.85175 -5.97878 2.91574 -5.9788 -75.1681 49.5699 2.9157 49.5699 59.5059 GPRESSAVG: 2642000 -7.61924 -5.17642 2.54439 -6.81258 -76.1631 50.1444 4.12755 48.6354 60.3967 TIMING: 2642000 CPU: 7666.9, 0.00289195/step Wall: 7666.9, 0.00289195/step, 1.89422 hours remaining, 207.007812 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: 2642000 717.8970 2058.7115 1960.5033 114.1324 -206369.8713 17840.3299 0.0000 0.0000 34168.7999 -149509.4972 298.4046 -183678.2971 -149414.6780 298.1810 37.4445 71.3402 556239.1129 -7.8380 -7.7952 PRESSURE: 2642200 -56.1775 15.7741 6.74033 15.7762 352.238 -21.1334 6.73968 -21.1338 89.1194 GPRESSURE: 2642200 -48.5589 35.4043 24.3278 -7.32182 410.503 -35.2183 47.8439 -51.8211 136.799 PRESSAVG: 2642200 -7.40111 14.4464 22.8633 14.4466 -49.1229 -10.6841 22.8632 -10.6842 33.1646 GPRESSAVG: 2642200 -6.62845 14.6752 22.6704 15.9877 -48.2863 -9.38364 22.3911 -9.3481 31.4947 TIMING: 2642200 CPU: 7667.47, 0.0028875/step Wall: 7667.47, 0.0028875/step, 1.89115 hours remaining, 207.007812 MB of memory in use. ENERGY: 2642200 718.2759 2172.7985 1937.6153 113.9395 -206982.2410 18151.3636 0.0000 0.0000 34484.3039 -149403.9445 301.1600 -183888.2483 -149306.9577 298.6025 128.3933 166.2478 555540.2427 -7.7865 -7.8067 PRESSURE: 2642400 48.6472 -41.8876 33.9094 -41.8869 8.74871 149.496 33.909 149.497 -126.132 GPRESSURE: 2642400 66.758 -24.8609 -19.3898 -102.063 47.1066 188.502 84.0026 171.41 -71.0033 PRESSAVG: 2642400 0.613322 -4.6951 8.04358 -4.69508 27.3268 42.9951 8.04361 42.9951 -8.22797 GPRESSAVG: 2642400 -0.477054 -4.22013 7.93329 -5.30397 27.4597 42.7202 7.22535 43.8018 -8.21232 TIMING: 2642400 CPU: 7668.05, 0.00288663/step Wall: 7668.05, 0.00288663/step, 1.89042 hours remaining, 207.007812 MB of memory in use. ENERGY: 2642400 687.8617 2084.4290 1975.8838 110.4774 -205980.3716 17570.1039 0.0000 0.0000 34089.3474 -149462.2685 297.7107 -183551.6159 -149369.3187 298.6220 -22.9120 14.2871 556489.0810 6.5707 6.2568 PRESSURE: 2642600 249.783 -160.982 -88.9782 -160.982 -93.7744 55.1143 -88.9793 55.1135 8.65528 GPRESSURE: 2642600 319.816 -238.624 -141.261 -138.285 -77.9665 150.08 -30.7657 13.8708 19.4565 PRESSAVG: 2642600 64.8717 -10.0228 -15.9381 -10.0228 52.8515 16.4106 -15.9381 16.4106 -70.1026 GPRESSAVG: 2642600 64.8706 -10.3337 -15.5497 -10.3858 52.6827 17.3258 -14.9976 16.5482 -69.7209 TIMING: 2642600 CPU: 7668.63, 0.00287478/step Wall: 7668.63, 0.00287478/step, 1.8825 hours remaining, 207.007812 MB of memory in use. ENERGY: 2642600 688.0643 2103.6210 1970.3736 123.7882 -206093.1249 17874.4407 0.0000 0.0000 34006.9637 -149325.8733 296.9913 -183332.8370 -149228.3058 298.0200 54.8879 87.1022 558432.1798 15.8735 15.9441 PRESSURE: 2642800 -76.9615 -123.869 10.4478 -123.869 -114.446 -25.1324 10.4463 -25.1331 -254.382 GPRESSURE: 2642800 -82.9031 -186.589 -43.1616 -178.423 -46.9184 63.1596 13.9181 -31.4644 -225.568 PRESSAVG: 2642800 35.5539 19.0033 -20.7189 19.0033 18.2444 17.428 -20.7189 17.4279 -45.7263 GPRESSAVG: 2642800 35.4418 19.7598 -20.461 17.8608 16.344 17.2863 -21.7628 14.5179 -44.4632 TIMING: 2642800 CPU: 7669.2, 0.00288083/step Wall: 7669.2, 0.00288083/step, 1.8863 hours remaining, 207.007812 MB of memory in use. ENERGY: 2642800 742.7068 2058.1904 1965.1596 117.1280 -206026.3781 17575.0938 0.0000 0.0000 34446.5669 -149121.5327 300.8304 -183568.0996 -149020.4032 299.4936 -148.5966 -118.4631 557398.3064 2.6907 2.4409 PRESSURE: 2643000 281.54 -39.1343 52.7906 -39.1336 -87.7819 24.8918 52.7895 24.8917 143.167 GPRESSURE: 2643000 317.193 26.9908 101.104 -80.4034 -63.3379 101.375 33.7444 33.0527 180.416 PRESSAVG: 2643000 -18.2703 33.1615 38.3144 33.1614 23.3159 11.599 38.3144 11.5989 -2.85938 GPRESSAVG: 2643000 -17.5256 32.1186 38.8435 32.9404 23.699 10.612 37.2048 13.5961 -3.75303 TIMING: 2643000 CPU: 7669.78, 0.00288054/step Wall: 7669.78, 0.00288054/step, 1.88595 hours remaining, 207.007812 MB of memory in use. ENERGY: 2643000 758.5966 2116.7364 1932.4026 116.3307 -206552.2433 18058.5967 0.0000 0.0000 34433.2969 -149136.2835 300.7145 -183569.5804 -149035.2696 299.6471 112.3085 144.7570 556167.7989 0.7287 0.8068 PRESSURE: 2643200 124.322 -131.271 -21.0493 -131.27 -74.9537 64.2757 -21.049 64.2768 -3.53836 GPRESSURE: 2643200 150.675 -151.091 50.8663 -88.8779 -17.0886 124.566 -67.0145 79.6267 1.95393 PRESSAVG: 2643200 -8.64928 -67.3824 41.0123 -67.3823 60.2003 28.116 41.0123 28.116 -20.52 GPRESSAVG: 2643200 -9.73736 -66.8393 41.12 -66.1449 60.6036 27.7339 42.9558 30.0934 -19.8394 TIMING: 2643200 CPU: 7670.36, 0.00290265/step Wall: 7670.36, 0.00290265/step, 1.90027 hours remaining, 207.007812 MB of memory in use. ENERGY: 2643200 749.9304 2053.7918 1963.7806 116.0535 -206021.3110 17839.3914 0.0000 0.0000 34269.8152 -149028.5482 299.2868 -183298.3634 -148933.3023 300.0184 15.2765 45.1800 557224.5053 10.3437 10.3423 PRESSURE: 2643400 42.2389 -86.251 79.5942 -86.2513 -45.1255 -86.7529 79.5952 -86.7523 -15.5414 GPRESSURE: 2643400 60.6781 -79.9421 70.3086 -34.9097 1.2333 -98.8665 76.5543 4.64178 18.2961 PRESSAVG: 2643400 50.8168 -54.4416 32.1846 -54.4417 -16.8184 7.25038 32.1846 7.25036 -45.1314 GPRESSAVG: 2643400 50.7505 -55.0461 31.8544 -52.7103 -15.4822 8.74442 30.2044 4.38284 -45.8839 TIMING: 2643400 CPU: 7670.94, 0.0028867/step Wall: 7670.94, 0.0028867/step, 1.88967 hours remaining, 207.007812 MB of memory in use. ENERGY: 2643400 752.4484 2122.1778 1951.7544 106.2586 -206050.5694 17782.6350 0.0000 0.0000 34358.6176 -148976.6776 300.0624 -183335.2952 -148881.1268 299.8822 -6.1426 26.7359 556550.1024 -3.7110 -3.5385 PRESSURE: 2643600 -86.0702 64.3543 55.7003 64.3542 -282.504 105.882 55.6995 105.883 -230.533 GPRESSURE: 2643600 -71.5649 96.1993 79.0175 71.7317 -224.868 135.145 -7.69212 10.8476 -219.121 PRESSAVG: 2643600 86.7278 22.7796 19.0814 22.7796 -89.0132 -51.0617 19.0814 -51.0617 9.75125 GPRESSAVG: 2643600 87.3154 24.2007 18.0326 21.8365 -88.9594 -52.7699 19.5461 -49.981 9.18803 TIMING: 2643600 CPU: 7671.51, 0.00288041/step Wall: 7671.51, 0.00288041/step, 1.88539 hours remaining, 207.007812 MB of memory in use. ENERGY: 2643600 782.3337 2106.6703 1970.1026 105.4943 -205611.7393 17498.4903 0.0000 0.0000 34202.2933 -148946.3550 298.6971 -183148.6483 -148845.3996 300.6474 -199.7024 -171.8514 558635.7657 2.4886 2.5147 PRESSURE: 2643800 -0.281172 101.02 66.873 101.02 -90.7451 -10.5278 66.8724 -10.5259 -60.3807 GPRESSURE: 2643800 64.9414 119.293 81.7799 29.3091 -42.6668 -26.9343 6.22434 -68.1385 -76.1561 PRESSAVG: 2643800 -0.71824 4.58951 51.9788 4.58943 -5.41004 2.81932 51.9789 2.81927 -43.8429 GPRESSAVG: 2643800 0.316627 4.43668 52.7769 7.14868 -6.85813 2.19492 50.7264 3.25562 -43.6617 TIMING: 2643800 CPU: 7672.09, 0.00289431/step Wall: 7672.09, 0.00289431/step, 1.89432 hours remaining, 207.007812 MB of memory in use. ENERGY: 2643800 737.0504 2132.9962 1958.6520 115.3799 -206164.6098 17881.8964 0.0000 0.0000 34221.4884 -149117.1465 298.8648 -183338.6349 -149026.0353 300.1080 -50.4690 -17.9605 557255.3745 -16.6571 -16.7344 PRESSURE: 2644000 -139.802 71.0787 -37.5635 71.0774 -104.067 8.43825 -37.5641 8.43789 -304.646 GPRESSURE: 2644000 -133.056 67.5881 67.8509 64.2593 -120.652 -18.613 -93.7442 29.2784 -202.243 PRESSAVG: 2644000 -11.3576 50.7108 46.3932 50.7108 28.1884 25.1937 46.3933 25.1935 -38.6 GPRESSAVG: 2644000 -12.4037 49.9497 46.6706 47.4146 27.525 25.4334 48.0883 23.9415 -37.0258 TIMING: 2644000 CPU: 7672.67, 0.0029006/step Wall: 7672.67, 0.0029006/step, 1.89828 hours remaining, 207.007812 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: 2644000 746.4006 2113.5335 1990.4494 133.0836 -205953.3167 17663.8481 0.0000 0.0000 34371.9378 -148934.0637 300.1787 -183306.0015 -148836.2313 300.1338 -182.8381 -151.9835 558574.9533 -7.2564 -7.3015 PRESSURE: 2644200 -110.089 73.5505 18.2446 73.5504 -15.9495 -124.857 18.2459 -124.856 -90.5485 GPRESSURE: 2644200 9.56177 104.405 10.857 34.9495 -20.8209 -194.245 28.9259 -83.8878 -112.267 PRESSAVG: 2644200 -36.1264 47.5971 -15.97 47.597 29.7878 -12.4783 -15.97 -12.4784 -33.9118 GPRESSAVG: 2644200 -36.2701 48.6357 -15.7477 45.3595 31.5867 -12.978 -17.1164 -12.0341 -35.535 TIMING: 2644200 CPU: 7673.25, 0.00289844/step Wall: 7673.25, 0.00289844/step, 1.89671 hours remaining, 207.007812 MB of memory in use. ENERGY: 2644200 746.1436 2089.7235 1963.4170 119.0499 -205621.0962 17537.6042 0.0000 0.0000 34186.1935 -148978.9646 298.5565 -183165.1581 -148885.7541 300.0744 -72.1957 -41.1754 556049.1818 -13.4168 -13.4062 LDB: ============= START OF LOAD BALANCING ============== 7676.72 LDB: ============== END OF LOAD BALANCING =============== 7676.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7676.72 LDB: ============= START OF LOAD BALANCING ============== 7677.01 LDB: Largest compute 4821 load 0.030758 is 26.1% of average load 0.117722 LDB: Average compute 0.001724 is 1.5% of average load 0.117722 LDB: TIME 7677.01 LOAD: AVG 0.117722 MAX 0.180548 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 7677.01 LOAD: AVG 0.117722 MAX 0.180548 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 7677.01 LOAD: AVG 0.117722 MAX 0.180548 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: ============== END OF LOAD BALANCING =============== 7677.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7677.02 PRESSURE: 2644400 -505.459 -53.9044 -71.9436 -53.9049 -126.942 -183.257 -71.9432 -183.258 -304.771 GPRESSURE: 2644400 -510.652 -22.085 -71.3486 -63.1515 -89.5908 -215.95 -14.0827 -182.581 -253.358 PRESSAVG: 2644400 -23.0331 25.8792 33.7709 25.8792 -25.5565 -39.9893 33.7709 -39.9893 60.6035 GPRESSAVG: 2644400 -23.6331 24.723 34.5251 28.6358 -26.3534 -39.6751 33.7792 -38.5121 61.1923 TIMING: 2644400 CPU: 7673.85, 0.00297171/step Wall: 7673.85, 0.00297171/step, 1.94449 hours remaining, 206.910156 MB of memory in use. ENERGY: 2644400 734.6949 2081.7160 1952.4940 126.1640 -205438.9313 17283.6688 0.0000 0.0000 34320.0948 -148940.0989 299.7259 -183260.1937 -148845.2912 299.2862 -312.3909 -284.5337 559082.2954 4.0046 3.7352 PRESSURE: 2644600 137.723 -59.7924 46.8432 -59.7923 87.8932 10.5184 46.8418 10.5183 58.4014 GPRESSURE: 2644600 218.433 -56.7579 124.583 -44.9049 139.591 -37.7618 6.55302 5.46884 23.5257 PRESSAVG: 2644600 -6.30048 -34.1544 29.0709 -34.1544 -57.3264 -90.5171 29.0709 -90.5171 34.7833 GPRESSAVG: 2644600 -6.15021 -33.043 25.908 -33.1797 -57.0203 -90.7624 31.0143 -90.4281 34.212 TIMING: 2644600 CPU: 7674.43, 0.00290099/step Wall: 7674.43, 0.00290099/step, 1.89805 hours remaining, 206.910156 MB of memory in use. ENERGY: 2644600 775.7856 2057.7834 1966.2802 112.7367 -206215.2304 17934.6090 0.0000 0.0000 34391.9360 -148976.0995 300.3533 -183368.0355 -148881.4195 299.8948 94.6725 127.1835 556700.4077 -9.6146 -9.6528 PRESSURE: 2644800 49.459 4.5285 108.984 4.52636 -118.005 -9.07616 108.983 -9.07587 -57.0926 GPRESSURE: 2644800 129.582 -37.4894 126.332 -42.9431 -177.674 -36.8781 97.7878 51.2123 12.1986 PRESSAVG: 2644800 -21.4549 22.6745 46.6421 22.6744 -28.9115 18.7353 46.6421 18.7353 50.6189 GPRESSAVG: 2644800 -21.8068 23.2899 49.3814 21.0192 -30.5304 19.2012 42.9966 19.1888 52.5255 TIMING: 2644800 CPU: 7675.01, 0.00292454/step Wall: 7675.01, 0.00292454/step, 1.9133 hours remaining, 206.910156 MB of memory in use. ENERGY: 2644800 767.7134 2075.6594 1960.7271 123.0874 -206011.2782 17781.7380 0.0000 0.0000 34327.1006 -148975.2524 299.7871 -183302.3529 -148877.0145 299.7221 -41.8795 -11.9645 557663.9214 0.0842 0.0628 PRESSURE: 2645000 -179.159 163.742 260.347 163.744 -58.9931 -65.5651 260.346 -65.565 -137.681 GPRESSURE: 2645000 -126.941 139.887 271.386 159.061 -54.6035 -6.55878 300.863 -54.858 -105.868 PRESSAVG: 2645000 -54.2567 70.7527 80.4707 70.7527 -17.9419 -34.5751 80.4706 -34.5751 77.7964 GPRESSAVG: 2645000 -54.9801 69.1779 80.1585 70.7761 -16.6537 -34.8353 81.7945 -35.9101 77.476 TIMING: 2645000 CPU: 7675.59, 0.00291704/step Wall: 7675.59, 0.00291704/step, 1.90823 hours remaining, 206.910156 MB of memory in use. ENERGY: 2645000 738.9474 2087.2619 1959.7608 111.8730 -205621.7026 17496.2248 0.0000 0.0000 34260.6014 -148967.0334 299.2064 -183227.6348 -148873.0884 299.8600 -125.2778 -95.8040 557243.7428 1.8659 1.9474 PRESSURE: 2645200 -170.192 -16.1166 96.3619 -16.1156 97.6713 99.2206 96.3615 99.2212 -189.283 GPRESSURE: 2645200 -135.193 -46.4159 88.3971 -145.253 155.198 91.1087 56.8144 107.37 -179.329 PRESSAVG: 2645200 -79.8641 52.1093 -12.667 52.1093 -7.62973 -25.022 -12.667 -25.022 53.9123 GPRESSAVG: 2645200 -77.7863 52.2032 -12.3018 50.8268 -7.19697 -23.1894 -11.3426 -26.2986 51.795 TIMING: 2645200 CPU: 7676.17, 0.00290288/step Wall: 7676.17, 0.00290288/step, 1.89881 hours remaining, 206.910156 MB of memory in use. ENERGY: 2645200 767.8353 2109.3739 1944.6414 115.7014 -205638.6873 17572.5529 0.0000 0.0000 34159.2138 -148969.3686 298.3209 -183128.5825 -148870.8696 300.3450 -87.2679 -53.1078 556321.4999 -11.1938 -11.0628 PRESSURE: 2645400 -52.014 -66.3486 -30.4666 -66.3498 -66.5023 0.439708 -30.4658 0.43746 -92.4325 GPRESSURE: 2645400 -21.8884 -93.6044 -39.1688 -74.7153 -44.5534 -72.837 -118.26 -2.88832 -55.4685 PRESSAVG: 2645400 -11.2936 13.7928 -41.7854 13.7928 22.6252 11.218 -41.7854 11.2179 1.42594 GPRESSAVG: 2645400 -11.6532 13.3508 -42.1354 13.6735 21.8361 9.30603 -43.2464 11.8353 1.73137 TIMING: 2645400 CPU: 7676.76, 0.00291461/step Wall: 7676.76, 0.00291461/step, 1.90632 hours remaining, 206.910156 MB of memory in use. ENERGY: 2645400 742.2399 2102.6215 1966.1801 127.4056 -206323.4952 17774.9508 0.0000 0.0000 34546.8179 -149063.2793 301.7060 -183610.0973 -148967.6414 299.6791 -70.3163 -40.6368 557812.4823 4.2525 3.9714 PRESSURE: 2645600 -268.144 108.932 77.6423 108.934 -140.042 141.272 77.6428 141.27 -11.089 GPRESSURE: 2645600 -235.957 82.9113 112.823 135.758 -43.0613 154.138 14.4277 88.5821 -28.4531 PRESSAVG: 2645600 30.5302 -51.7812 6.75856 -51.7811 -9.24275 -25.3995 6.7586 -25.3994 -8.02131 GPRESSAVG: 2645600 29.5455 -51.9114 7.15363 -50.4473 -9.25583 -24.0646 6.35528 -27.2205 -6.97904 TIMING: 2645600 CPU: 7677.34, 0.00290257/step Wall: 7677.34, 0.00290257/step, 1.89828 hours remaining, 206.910156 MB of memory in use. ENERGY: 2645600 740.9447 2060.7296 1964.2843 111.3243 -206022.5023 17603.4178 0.0000 0.0000 34381.2336 -149160.5681 300.2599 -183541.8017 -149062.4108 299.7308 -139.7581 -102.4906 556398.2458 4.4220 4.4369 PRESSURE: 2645800 -20.57 83.1039 -19.254 83.1027 -98.9773 -109.108 -19.2544 -109.108 -180.922 GPRESSURE: 2645800 37.9187 69.2622 -71.2976 50.0921 -28.6173 -120.193 -62.8819 -217.687 -208.913 PRESSAVG: 2645800 25.5455 16.2227 -31.6059 16.2227 -31.7024 28.7219 -31.606 28.7219 26.1415 GPRESSAVG: 2645800 26.1255 15.7609 -32.9426 17.2088 -31.658 28.1606 -32.0435 31.071 25.7556 TIMING: 2645800 CPU: 7677.92, 0.00289817/step Wall: 7677.92, 0.00289817/step, 1.89524 hours remaining, 206.910156 MB of memory in use. ENERGY: 2645800 719.1700 2105.2738 1962.1424 128.8515 -206080.6367 17722.2130 0.0000 0.0000 34374.4915 -149068.4946 300.2010 -183442.9861 -148972.9672 299.8794 -100.1565 -66.5372 556556.6464 6.6615 6.7410 PRESSURE: 2646000 -191.443 -34.6135 119.17 -34.6146 -608.037 -43.0181 119.17 -43.0169 -263.681 GPRESSURE: 2646000 -184.24 -108.979 119.916 -72.9942 -530.877 -58.6204 118.545 -13.0803 -257.477 PRESSAVG: 2646000 47.5008 6.99529 38.8587 6.99523 -71.48 5.75911 38.8588 5.75896 0.362976 GPRESSAVG: 2646000 48.4068 6.82069 38.7338 6.16924 -71.6383 6.09763 40.2943 5.16042 -0.375409 TIMING: 2646000 CPU: 7678.5, 0.00289755/step Wall: 7678.5, 0.00289755/step, 1.89467 hours remaining, 206.910156 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: 2646000 748.2607 2107.4233 1976.9314 129.1544 -206086.3596 17598.3110 0.0000 0.0000 34338.0720 -149188.2068 299.8829 -183526.2787 -149084.3971 300.0458 -354.3869 -324.1981 557997.4378 -7.8721 -7.8690 PRESSURE: 2646200 89.8016 -142.112 -74.0558 -142.112 -116.264 -6.24351 -74.054 -6.24397 165.537 GPRESSURE: 2646200 143.351 -157.816 -29.8083 -96.7387 -113.72 -25.1252 -101.457 -12.4247 204.598 PRESSAVG: 2646200 -69.7391 18.2366 3.67947 18.2367 16.6247 19.1384 3.67956 19.1385 47.2127 GPRESSAVG: 2646200 -71.1506 19.3961 4.24034 20.6606 18.129 19.3888 4.12359 17.0177 46.8062 TIMING: 2646200 CPU: 7679.08, 0.00290735/step Wall: 7679.08, 0.00290735/step, 1.90092 hours remaining, 206.910156 MB of memory in use. ENERGY: 2646200 762.2376 2109.9834 1969.5966 112.4844 -206509.5315 17954.6497 0.0000 0.0000 34263.9369 -149336.6430 299.2355 -183600.5798 -149232.3161 299.5255 46.3582 78.0764 556542.8636 -1.9673 -2.0718 PRESSURE: 2646400 7.67997 131.617 117.441 131.618 97.6244 31.0948 117.44 31.0934 -103.32 GPRESSURE: 2646400 34.6085 54.4413 121.27 176.57 133.74 61.6545 91.0484 81.8143 -66.4418 PRESSAVG: 2646400 -32.1021 -43.6623 13.6577 -43.6622 7.20874 -26.7782 13.6578 -26.7783 -20.5286 GPRESSAVG: 2646400 -32.4124 -43.88 13.8683 -44.751 5.7008 -28.1695 11.916 -25.0762 -18.8007 TIMING: 2646400 CPU: 7679.66, 0.00288639/step Wall: 7679.66, 0.00288639/step, 1.88705 hours remaining, 206.910156 MB of memory in use. ENERGY: 2646400 765.3713 2132.6236 1982.7877 125.0665 -206495.7338 17954.6188 0.0000 0.0000 34259.8097 -149275.4561 299.1994 -183535.2658 -149183.5006 298.4644 0.6614 33.9688 556125.1873 -15.1406 -15.1708 PRESSURE: 2646600 -56.5795 -117.914 90.3196 -117.914 95.8881 89.0776 90.3211 89.077 -125.809 GPRESSURE: 2646600 -37.4339 -133.555 111.01 -93.7526 120.632 -3.903 176.233 92.2998 -63.3127 PRESSAVG: 2646600 10.9867 44.5843 -25.3778 44.5842 -42.4773 -66.4044 -25.3778 -66.4045 27.2645 GPRESSAVG: 2646600 10.8173 43.3622 -26.8256 43.1366 -42.7286 -65.1897 -25.1869 -66.7773 27.755 TIMING: 2646600 CPU: 7680.23, 0.00287614/step Wall: 7680.23, 0.00287614/step, 1.8802 hours remaining, 206.910156 MB of memory in use. ENERGY: 2646600 758.8708 2097.5269 1973.6629 121.9563 -206269.1136 17768.6904 0.0000 0.0000 34240.5816 -149307.8248 299.0315 -183548.4064 -149220.4139 299.3625 -28.8334 6.6286 556015.4986 -1.4087 -1.3854 PRESSURE: 2646800 146.722 -150.831 72.8079 -150.83 3.80409 -171.306 72.8089 -171.307 211.265 GPRESSURE: 2646800 153.828 -284.68 -9.33295 -61.3869 49.0838 -108.37 122.51 -264.303 257.871 PRESSAVG: 2646800 -16.9725 -4.1926 -10.6995 -4.1926 23.3684 -56.0127 -10.6995 -56.0127 -10.3218 GPRESSAVG: 2646800 -17.355 -3.85614 -9.45664 -1.89687 23.7471 -55.7658 -11.0203 -55.6081 -10.9265 TIMING: 2646800 CPU: 7680.81, 0.00289644/step Wall: 7680.81, 0.00289644/step, 1.89331 hours remaining, 206.910156 MB of memory in use. ENERGY: 2646800 732.0280 2040.8780 1978.9429 108.1001 -206372.7394 17872.7429 0.0000 0.0000 34210.8895 -149429.1581 298.7722 -183640.0475 -149331.1770 299.1068 120.5970 153.5943 556223.2362 -1.3087 -1.5114 PRESSURE: 2647000 -42.2535 74.1517 -66.7186 74.1517 -12.3636 -36.4889 -66.7184 -36.4897 261.079 GPRESSURE: 2647000 -30.8902 40.1509 -48.593 89.022 57.7717 19.2045 2.08399 -58.2785 277.199 PRESSAVG: 2647000 70.0373 29.0877 -0.608394 29.0877 -25.4934 -57.4252 -0.608592 -57.4254 -18.0759 GPRESSAVG: 2647000 69.516 29.5306 -0.948758 27.2773 -24.6526 -58.154 -0.956481 -56.8184 -18.5952 TIMING: 2647000 CPU: 7681.39, 0.0029086/step Wall: 7681.39, 0.0029086/step, 1.90109 hours remaining, 206.910156 MB of memory in use. ENERGY: 2647000 751.2365 2079.2101 1986.4508 105.5915 -206549.3563 17906.7102 0.0000 0.0000 34151.2455 -149568.9117 298.2513 -183720.1572 -149474.4728 298.3341 68.8205 101.3602 556769.5643 8.8227 8.7561 PRESSURE: 2647200 68.4092 -0.0790766 61.8509 -0.0799988 294.29 -21.9334 61.8508 -21.9355 279.387 GPRESSURE: 2647200 85.687 -124.696 30.8469 -1.52764 337.978 -32.9809 60.4095 -40.4262 308.837 PRESSAVG: 2647200 -98.8827 2.71456 16.5842 2.71458 80.8204 14.9326 16.5842 14.9326 18.409 GPRESSAVG: 2647200 -98.03 3.00263 18.7768 3.75273 81.2093 12.8366 18.1245 15.1686 17.1105 TIMING: 2647200 CPU: 7681.97, 0.00288521/step Wall: 7681.97, 0.00288521/step, 1.88564 hours remaining, 206.910156 MB of memory in use. ENERGY: 2647200 768.8072 2070.4661 1951.3079 104.3993 -206774.1749 18094.4373 0.0000 0.0000 34140.5554 -149644.2015 298.1580 -183784.7569 -149552.4242 297.9520 214.0286 244.1673 555376.1246 0.1156 0.0966 PRESSURE: 2647400 115.206 -21.0086 30.0661 -21.0087 -23.6415 -22.8941 30.0664 -22.8957 6.54463 GPRESSURE: 2647400 183.64 -32.2248 13.3215 -36.2777 -82.5113 -24.3744 108.345 19.0853 93.1153 PRESSAVG: 2647400 -21.4759 10.5586 -6.52822 10.5586 13.1243 4.95968 -6.5282 4.95962 28.721 GPRESSAVG: 2647400 -22.0626 9.69593 -7.41023 9.73067 11.8968 8.51029 -7.64801 2.79573 30.7274 TIMING: 2647400 CPU: 7682.54, 0.00287341/step Wall: 7682.54, 0.00287341/step, 1.87777 hours remaining, 206.910156 MB of memory in use. ENERGY: 2647400 759.0983 2068.2295 1992.2465 120.8141 -206716.5540 18109.6104 0.0000 0.0000 34190.6282 -149475.9270 298.5953 -183666.5552 -149377.2588 298.5515 32.7031 64.7480 557887.4864 6.7898 6.8539 PRESSURE: 2647600 -201.832 1.39791 -57.7338 1.39887 -110.564 47.7176 -57.7331 47.7176 9.98078 GPRESSURE: 2647600 -151.261 12.837 -70.0845 -63.0762 -94.4637 100.512 -76.5575 -41.1633 49.4894 PRESSAVG: 2647600 -7.1547 17.6939 -14.2549 17.6939 21.8872 32.3731 -14.2549 32.3731 -62.7538 GPRESSAVG: 2647600 -6.88858 19.2106 -15.9212 17.2429 21.9837 30.3598 -13.5285 32.8124 -63.1039 TIMING: 2647600 CPU: 7683.12, 0.00290223/step Wall: 7683.12, 0.00290223/step, 1.89644 hours remaining, 206.910156 MB of memory in use. ENERGY: 2647600 722.0372 2101.4183 1983.7168 114.2519 -206343.4073 17708.4450 0.0000 0.0000 34202.5733 -149510.9648 298.6996 -183713.5381 -149418.1303 298.1752 -100.8051 -65.4118 558351.9942 -16.0071 -16.0029 PRESSURE: 2647800 244.7 -48.7211 53.7427 -48.7215 141.199 -194.477 53.7408 -194.479 21.0673 GPRESSURE: 2647800 273.913 -51.8603 44.8874 -26.7265 173.314 -224.72 41.322 -172.611 53.0849 PRESSAVG: 2647800 -10.4506 25.3279 5.2614 25.3279 -25.4133 -49.5424 5.26138 -49.5425 41.0621 GPRESSAVG: 2647800 -9.8739 26.1741 5.38019 24.9045 -26.3337 -52.067 4.48548 -48.0715 41.2625 TIMING: 2647800 CPU: 7683.71, 0.00291356/step Wall: 7683.71, 0.00291356/step, 1.90369 hours remaining, 206.910156 MB of memory in use. ENERGY: 2647800 780.0509 2084.2370 1975.1608 119.0651 -206689.6043 18074.8904 0.0000 0.0000 34146.1277 -149510.0725 298.2066 -183656.2002 -149414.2213 298.9814 135.6554 166.7704 557025.2757 1.7327 1.6850 PRESSURE: 2648000 -19.2079 -80.857 53.8767 -80.8569 -223.65 22.0131 53.8771 22.0121 111.024 GPRESSURE: 2648000 24.9989 -51.4828 8.85763 -71.9902 -219.915 -25.9598 28.6439 126.795 164.996 PRESSAVG: 2648000 40.4546 27.3545 7.84998 27.3544 -1.22883 -31.3683 7.84992 -31.3682 -0.565367 GPRESSAVG: 2648000 40.527 25.5361 8.23641 27.1532 0.521704 -27.22 8.57025 -32.4914 -1.93905 TIMING: 2648000 CPU: 7684.29, 0.0029021/step Wall: 7684.29, 0.0029021/step, 1.89604 hours remaining, 206.910156 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: 2648000 728.4456 2095.4858 1943.3788 110.2434 -206228.3502 17769.4925 0.0000 0.0000 34230.6106 -149350.6935 298.9444 -183581.3041 -149252.3177 298.5533 -43.9447 -9.9734 558420.8254 12.8868 13.0366 PRESSURE: 2648200 97.0173 123.794 -73.5036 123.795 120.774 114.519 -73.5052 114.519 62.8378 GPRESSURE: 2648200 100.338 69.7629 -19.4143 121.672 198.089 52.6689 9.40874 188.642 94.4414 PRESSAVG: 2648200 71.2477 -4.92415 35.8011 -4.92413 27.4036 -22.811 35.8011 -22.8109 -75.9666 GPRESSAVG: 2648200 71.8195 -4.53723 34.9298 -4.70175 26.3134 -23.8885 36.4589 -22.1786 -75.997 TIMING: 2648200 CPU: 7684.87, 0.00288776/step Wall: 7684.87, 0.00288776/step, 1.88651 hours remaining, 206.910156 MB of memory in use. ENERGY: 2648200 738.2169 2104.3668 1946.4373 102.6934 -206259.3105 17951.5217 0.0000 0.0000 34164.9330 -149251.1415 298.3709 -183416.0745 -149165.6138 299.1165 93.5429 130.9563 558172.0425 7.5615 7.3786 LDB: ============= START OF LOAD BALANCING ============== 7688.33 LDB: ============== END OF LOAD BALANCING =============== 7688.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7688.33 LDB: ============= START OF LOAD BALANCING ============== 7688.62 LDB: Largest compute 4821 load 0.030374 is 25.8% of average load 0.117788 LDB: Average compute 0.001730 is 1.5% of average load 0.117788 LDB: TIME 7688.62 LOAD: AVG 0.117788 MAX 0.18071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 7688.62 LOAD: AVG 0.117788 MAX 0.18071 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 7688.62 LOAD: AVG 0.117788 MAX 0.18071 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 7688.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7688.63 PRESSURE: 2648400 104.611 -192.963 113.349 -192.963 -37.0462 -44.2467 113.348 -44.2473 -51.1063 GPRESSURE: 2648400 151.395 -244.495 152.806 -149.427 -57.7063 -103.196 58.364 -68.597 27.2545 PRESSAVG: 2648400 6.49525 19.1824 41.2586 19.1825 14.1361 26.5495 41.2586 26.5495 -11.8035 GPRESSAVG: 2648400 5.31789 20.1632 40.402 17.8024 14.8164 25.2988 41.3468 25.8461 -11.6418 TIMING: 2648400 CPU: 7685.46, 0.00295153/step Wall: 7685.46, 0.00295153/step, 1.928 hours remaining, 206.191406 MB of memory in use. ENERGY: 2648400 710.7896 2124.7599 1931.2123 113.4438 -206188.3297 17706.4327 0.0000 0.0000 34258.7738 -149342.9177 299.1904 -183601.6915 -149247.7796 299.0997 5.4861 40.3145 556670.0413 2.9426 2.8308 PRESSURE: 2648600 289.432 -32.7612 -185.976 -32.7631 105.4 -55.0216 -185.976 -55.0211 -146.447 GPRESSURE: 2648600 297.505 -19.8302 -163.629 -4.22201 174.168 32.6484 -229.877 -130.279 -138.713 PRESSAVG: 2648600 87.0337 -52.9306 30.0482 -52.9306 -69.3643 -34.9489 30.0483 -34.949 17.4049 GPRESSAVG: 2648600 87.5934 -54.9455 30.868 -50.5117 -68.4601 -34.1643 29.3562 -35.3023 16.2208 TIMING: 2648600 CPU: 7686.03, 0.00288297/step Wall: 7686.03, 0.00288297/step, 1.88306 hours remaining, 206.191406 MB of memory in use. ENERGY: 2648600 770.0397 2052.5387 1957.8204 112.7100 -206387.6779 18096.4485 0.0000 0.0000 34210.6906 -149187.4300 298.7705 -183398.1206 -149089.3795 299.5742 82.7950 110.9866 557080.9965 11.6915 11.7847 PRESSURE: 2648800 191.255 -11.5047 -3.95782 -11.5037 -43.0734 -54.7741 -3.95737 -54.7729 197.977 GPRESSURE: 2648800 178.764 36.1098 1.82041 -55.5006 -15.1627 -142.154 22.5688 -35.2035 281.049 PRESSAVG: 2648800 5.71321 7.51443 -0.947573 7.51453 -33.9423 -26.9282 -0.947559 -26.9282 36.2053 GPRESSAVG: 2648800 6.03236 8.24386 -2.18227 4.47937 -35.3719 -26.9203 -0.242051 -26.2708 37.2317 TIMING: 2648800 CPU: 7686.61, 0.00288741/step Wall: 7686.61, 0.00288741/step, 1.8858 hours remaining, 206.191406 MB of memory in use. ENERGY: 2648800 754.0509 2102.9021 1915.8758 117.5996 -206475.3824 17963.1570 0.0000 0.0000 34247.2135 -149374.5834 299.0894 -183621.7970 -149277.4939 299.6583 115.3864 148.2168 555008.1227 2.6587 2.6307 PRESSURE: 2649000 62.3321 37.0014 64.8062 37.0016 31.743 18.7657 64.8056 18.765 148.457 GPRESSURE: 2649000 97.6502 58.0034 81.3187 16.0398 39.4751 -45.416 22.9094 -16.3799 218.208 PRESSAVG: 2649000 -28.0227 -18.3172 22.9701 -18.3172 17.4031 0.114069 22.97 0.113871 35.6431 GPRESSAVG: 2649000 -27.8586 -19.3635 25.6566 -15.3929 16.9625 -0.265684 20.2084 -0.472324 36.2103 TIMING: 2649000 CPU: 7687.19, 0.00288975/step Wall: 7687.19, 0.00288975/step, 1.88717 hours remaining, 206.191406 MB of memory in use. ENERGY: 2649000 808.3604 2051.4675 1956.4235 106.8946 -206555.4222 17856.5513 0.0000 0.0000 34197.2465 -149578.4784 298.6531 -183775.7249 -149476.7659 298.6096 80.8439 118.4443 553856.7251 8.3412 8.4381 PRESSURE: 2649200 -39.0732 26.3553 -20.5873 26.3565 -169.924 -102.187 -20.5882 -102.186 -189.227 GPRESSURE: 2649200 2.79249 -28.3411 4.76457 -7.48503 -107.517 -85.3144 -29.9751 -143.756 -198.676 PRESSAVG: 2649200 47.1217 -60.7975 -26.0674 -60.7974 -9.94096 4.10866 -26.0673 4.10874 -14.511 GPRESSAVG: 2649200 46.9663 -60.3353 -24.8477 -62.5899 -8.43833 5.48092 -24.8703 2.84546 -15.5805 TIMING: 2649200 CPU: 7687.76, 0.00287941/step Wall: 7687.76, 0.00287941/step, 1.88025 hours remaining, 206.191406 MB of memory in use. ENERGY: 2649200 737.4388 2037.6697 1969.5828 111.5244 -206394.5868 17582.6202 0.0000 0.0000 34258.9963 -149696.7546 299.1923 -183955.7509 -149601.2989 297.8985 -132.7415 -101.1335 557175.9199 7.5566 7.6492 PRESSURE: 2649400 4.15977 70.3581 -243.947 70.3587 -283.088 27.9337 -243.945 27.9341 -87.4074 GPRESSURE: 2649400 14.2568 94.7951 -198.033 39.7224 -234.327 -25.254 -220.288 -53.1304 -54.8329 PRESSAVG: 2649400 -24.842 5.56995 -64.7263 5.56996 2.21252 -27.0481 -64.7263 -27.0481 49.2864 GPRESSAVG: 2649400 -23.7319 7.11624 -65.573 4.89673 1.07472 -27.5128 -62.4078 -26.1713 49.1245 TIMING: 2649400 CPU: 7688.34, 0.00288646/step Wall: 7688.34, 0.00288646/step, 1.8847 hours remaining, 206.250000 MB of memory in use. ENERGY: 2649400 761.2206 2104.1562 1974.9531 109.6708 -206040.3580 17579.6984 0.0000 0.0000 33979.7552 -149530.9036 296.7537 -183510.6588 -149431.3015 298.3032 -122.1120 -91.6343 556858.9893 8.8856 8.8224 PRESSURE: 2649600 -164.889 73.5739 -257.553 73.5743 58.2624 94.3676 -257.553 94.3677 -9.54127 GPRESSURE: 2649600 -115.589 108.841 -143.113 80.5152 64.2961 96.6035 -258.67 93.8725 18.6768 PRESSAVG: 2649600 -60.6867 28.6125 -4.1625 28.6126 71.6184 32.6066 -4.16262 32.6067 32.2429 GPRESSAVG: 2649600 -61.4404 28.0581 -5.44802 28.9091 71.242 31.232 -6.72439 32.7748 33.6144 TIMING: 2649600 CPU: 7688.92, 0.00290515/step Wall: 7688.92, 0.00290515/step, 1.89674 hours remaining, 206.250000 MB of memory in use. ENERGY: 2649600 737.6660 2056.3130 1955.5005 105.3142 -206125.7810 17700.3046 0.0000 0.0000 34018.2590 -149552.4237 297.0899 -183570.6828 -149454.1046 297.5259 -38.7227 -10.8722 556949.9675 14.3916 14.4720 PRESSURE: 2649800 16.2542 45.8455 112.022 45.845 -65.0031 2.04029 112.021 2.04032 -259.658 GPRESSURE: 2649800 77.2563 109.391 87.5162 34.2608 -81.4735 24.9068 128.791 -29.8379 -212.171 PRESSAVG: 2649800 36.7473 -2.90592 30.7557 -2.90593 17.6537 28.8865 30.7555 28.8865 -49.4736 GPRESSAVG: 2649800 38.0667 -2.14973 30.972 -3.13063 18.0951 29.276 32.8315 32.1304 -50.8127 TIMING: 2649800 CPU: 7689.5, 0.00290375/step Wall: 7689.5, 0.00290375/step, 1.89567 hours remaining, 206.250000 MB of memory in use. ENERGY: 2649800 754.3508 2074.7091 1968.9851 118.6955 -206182.9695 17627.0542 0.0000 0.0000 34225.0927 -149414.0821 298.8962 -183639.1748 -149315.8989 298.3448 -102.8022 -72.1293 557427.7421 1.6425 1.7830 PRESSURE: 2650000 18.697 -42.5726 -99.581 -42.5724 86.3104 -70.4451 -99.5811 -70.4444 217.298 GPRESSURE: 2650000 65.8916 -72.2579 -27.4593 -41.6689 106.181 -145.8 -109.167 0.813127 239.803 PRESSAVG: 2650000 18.6325 -49.487 18.6445 -49.4871 -31.4816 34.026 18.6445 34.0261 1.74656 GPRESSAVG: 2650000 18.5704 -50.9062 18.6226 -49.1684 -32.2815 35.3867 18.3661 31.7441 2.83125 TIMING: 2650000 CPU: 7690.09, 0.00291784/step Wall: 7690.09, 0.00291784/step, 1.9047 hours remaining, 206.250000 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: 2650000 730.2926 2144.7891 1930.9746 119.1013 -206369.2780 17960.3740 0.0000 0.0000 34084.0215 -149399.7249 297.6642 -183483.7464 -149300.4121 298.7749 107.4352 137.2917 557547.6495 -3.7008 -3.6266 PRESSURE: 2650200 -27.3908 8.37104 -35.3749 8.37238 -172.77 197.413 -35.3741 197.413 30.1977 GPRESSURE: 2650200 11.668 -139.593 -45.3458 38.0637 -142.45 308.462 25.9343 133.58 50.9324 PRESSAVG: 2650200 -30.5866 -44.7596 -39.9788 -44.7596 61.7902 54.7267 -39.9787 54.7266 -18.0426 GPRESSAVG: 2650200 -31.9637 -44.4524 -39.7505 -46.1285 63.2466 54.705 -39.7774 54.6879 -18.1511 TIMING: 2650200 CPU: 7690.67, 0.00290225/step Wall: 7690.67, 0.00290225/step, 1.89436 hours remaining, 206.250000 MB of memory in use. ENERGY: 2650200 743.3316 2159.8759 1953.8369 107.1567 -206361.9778 17796.2930 0.0000 0.0000 34244.3379 -149357.1459 299.0643 -183601.4838 -149269.3034 299.0190 -56.6543 -26.6166 558091.1707 4.3870 4.3773 PRESSURE: 2650400 53.1911 25.0893 -69.0558 25.0894 -192.068 -57.6804 -69.0547 -57.68 -192.009 GPRESSURE: 2650400 121.323 47.0136 -83.2335 32.0883 -77.2302 8.34091 -56.3339 -112.496 -272.317 PRESSAVG: 2650400 41.053 -35.4336 6.62788 -35.4336 -37.4246 25.2115 6.62789 25.2116 -5.15425 GPRESSAVG: 2650400 41.6747 -37.9139 6.20562 -31.448 -37.3386 25.2047 4.17488 23.5179 -5.30048 TIMING: 2650400 CPU: 7691.25, 0.00291374/step Wall: 7691.25, 0.00291374/step, 1.9017 hours remaining, 206.250000 MB of memory in use. ENERGY: 2650400 768.4116 2075.2464 1916.5014 113.1173 -205965.9607 17789.1029 0.0000 0.0000 34305.8967 -148997.6845 299.6019 -183303.5811 -148904.3434 299.7503 -110.2953 -76.0748 558856.3551 -0.5086 -0.3214 PRESSURE: 2650600 23.9918 -96.1709 126.781 -96.1712 -279.472 94.0719 126.781 94.073 -222.645 GPRESSURE: 2650600 50.4924 -112.245 123.404 -164.322 -246.348 71.9887 154.821 142.665 -181.501 PRESSAVG: 2650600 26.4512 9.00901 16.8148 9.00899 -13.8829 20.5802 16.8148 20.5802 -14.3401 GPRESSAVG: 2650600 26.6721 10.3292 17.3451 7.13683 -14.8392 17.8716 19.3572 22.0384 -13.7079 TIMING: 2650600 CPU: 7691.83, 0.00288982/step Wall: 7691.83, 0.00288982/step, 1.88593 hours remaining, 206.250000 MB of memory in use. ENERGY: 2650600 764.1392 2114.6274 1978.4869 120.2741 -205942.1136 17606.6962 0.0000 0.0000 34295.0445 -149062.8454 299.5072 -183357.8899 -148971.0184 300.3703 -159.3750 -125.7856 558819.8434 -0.5906 -0.6250 PRESSURE: 2650800 -289.363 -176.051 -136.331 -176.051 -48.4451 136.666 -136.331 136.667 -295.163 GPRESSURE: 2650800 -262.339 -96.7894 -50.7585 -234.212 5.79479 152.238 -92.7951 92.2356 -275.122 PRESSAVG: 2650800 24.3966 -4.53052 54.228 -4.53042 4.07504 7.77048 54.228 7.77043 26.134 GPRESSAVG: 2650800 24.2986 -5.15862 55.6811 -4.83226 3.64399 9.9287 52.5696 7.85836 27.1594 TIMING: 2650800 CPU: 7692.41, 0.00291314/step Wall: 7692.41, 0.00291314/step, 1.90098 hours remaining, 206.250000 MB of memory in use. ENERGY: 2650800 771.3595 2084.8291 1970.3817 111.0932 -205550.3959 17288.2877 0.0000 0.0000 34157.8304 -149166.6142 298.3088 -183324.4446 -149067.7002 299.4355 -210.9904 -177.2222 558086.3682 18.2019 18.3673 PRESSURE: 2651000 -34.6392 1.05368 50.8029 1.05244 -36.4092 48.6513 50.8026 48.6508 -147.132 GPRESSURE: 2651000 24.9931 -55.6574 175.818 20.4152 2.86456 -52.8836 1.30536 123.74 -138.022 PRESSAVG: 2651000 -11.2447 19.1596 13.7136 19.1596 12.3993 26.102 13.7135 26.1019 -8.54013 GPRESSAVG: 2651000 -10.666 17.5862 10.7464 19.8394 12.8154 22.8095 16.0516 27.4242 -9.16917 TIMING: 2651000 CPU: 7692.99, 0.00289186/step Wall: 7692.99, 0.00289186/step, 1.88694 hours remaining, 206.250000 MB of memory in use. ENERGY: 2651000 754.0652 2063.2168 1991.2546 120.1072 -206551.8295 17965.4610 0.0000 0.0000 34339.5855 -149318.1393 299.8961 -183657.7248 -149220.1025 299.1397 -72.7267 -36.7214 557954.0347 -2.4618 -2.3399 PRESSURE: 2651200 -79.278 32.0523 -87.1059 32.0524 -258.82 -47.6302 -87.1061 -47.6293 -111.182 GPRESSURE: 2651200 -31.3248 13.997 -150.199 19.4161 -193.167 -19.666 -27.9974 -69.8271 -127.721 PRESSAVG: 2651200 -10.0374 25.1585 -6.39963 25.1587 63.6877 -62.3378 -6.39978 -62.3379 -34.3045 GPRESSAVG: 2651200 -10.1067 28.1991 -4.1131 22.3492 65.0034 -60.7995 -5.64379 -63.3952 -36.0247 TIMING: 2651200 CPU: 7693.57, 0.00289678/step Wall: 7693.57, 0.00289678/step, 1.88999 hours remaining, 206.250000 MB of memory in use. ENERGY: 2651200 743.5533 2084.9900 1962.8238 119.1414 -206068.5017 17612.8319 0.0000 0.0000 33937.3041 -149607.8571 296.3829 -183545.1612 -149513.3185 298.1378 -149.7602 -117.4044 557717.9049 6.4486 6.2907 PRESSURE: 2651400 7.28644 54.7351 -156.225 54.7354 26.8563 62.4502 -156.225 62.4506 -5.90945 GPRESSURE: 2651400 77.5796 75.7113 -105.066 77.9436 40.4929 46.644 -171.552 42.1504 -6.53585 PRESSAVG: 2651400 2.57686 55.688 8.67454 55.688 38.1201 50.9779 8.6746 50.9779 -78.1073 GPRESSAVG: 2651400 2.3012 53.9273 6.79545 58.4313 37.9692 50.6021 6.34448 51.1397 -77.133 TIMING: 2651400 CPU: 7694.14, 0.00287227/step Wall: 7694.14, 0.00287227/step, 1.87384 hours remaining, 206.250000 MB of memory in use. ENERGY: 2651400 747.0972 2100.1018 1971.8200 114.7577 -206331.0029 17885.3003 0.0000 0.0000 34082.9590 -149428.9669 297.6550 -183511.9259 -149330.4560 298.3877 9.4111 37.1789 558198.3560 -12.4701 -12.2875 PRESSURE: 2651600 -1.77544 15.1596 15.8059 15.159 -322.294 -36.635 15.8066 -36.6353 -246.02 GPRESSURE: 2651600 33.7649 31.0619 65.3103 41.762 -265.806 -29.888 6.38163 -94.246 -240.991 PRESSAVG: 2651600 -33.0191 67.1508 -42.9982 67.1508 43.4266 -8.05903 -42.9983 -8.05902 40.9113 GPRESSAVG: 2651600 -33.1581 66.8143 -40.9595 66.5955 44.228 -7.22577 -42.5119 -8.10197 39.9598 TIMING: 2651600 CPU: 7694.72, 0.00287376/step Wall: 7694.72, 0.00287376/step, 1.87465 hours remaining, 206.250000 MB of memory in use. ENERGY: 2651600 742.0498 2132.9377 1965.3477 121.1420 -206415.9117 17619.0480 0.0000 0.0000 34340.1818 -149495.2048 299.9013 -183835.3866 -149404.1162 298.9768 -190.0297 -157.6773 558308.7832 17.1063 17.0099 PRESSURE: 2651800 -323.215 77.4031 49.9102 77.4032 -347.643 -37.9368 49.91 -37.9382 -266.818 GPRESSURE: 2651800 -307.762 108.071 37.9097 43.7049 -229.445 -38.4697 36.5716 -56.2082 -312.225 PRESSAVG: 2651800 36.4973 17.1679 -20.7628 17.1678 13.9972 -12.9794 -20.7627 -12.9794 -68.48 GPRESSAVG: 2651800 37.3991 18.0889 -22.6827 17.0515 13.12 -11.5468 -20.6987 -12.4077 -68.8053 TIMING: 2651800 CPU: 7695.3, 0.00290234/step Wall: 7695.3, 0.00290234/step, 1.89313 hours remaining, 206.250000 MB of memory in use. ENERGY: 2651800 717.6791 2099.7845 1978.3250 119.0819 -206088.8206 17340.6955 0.0000 0.0000 34206.8985 -149626.3562 298.7374 -183833.2546 -149523.9705 298.2821 -312.5584 -283.1439 557359.2173 -5.9952 -6.0954 PRESSURE: 2652000 50.5055 -9.20026 0.679171 -9.19955 -144.186 -159.689 0.680309 -159.689 -192.66 GPRESSURE: 2652000 89.6371 18.9489 26.4626 -2.15586 -143.007 -152.158 -15.4187 -180.765 -153.919 PRESSAVG: 2652000 36.603 36.2641 -9.17147 36.2641 0.414853 9.56844 -9.17139 9.56847 -56.0364 GPRESSAVG: 2652000 36.872 37.6091 -8.4016 35.2735 -1.02118 6.79909 -7.89658 9.10534 -55.4049 TIMING: 2652000 CPU: 7695.87, 0.00286782/step Wall: 7695.87, 0.00286782/step, 1.87046 hours remaining, 206.250000 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: 2652000 755.7790 2107.4381 1958.2285 121.9025 -206775.7684 17888.4388 0.0000 0.0000 34229.9187 -149714.0629 298.9384 -183943.9816 -149622.8403 298.0965 -95.4470 -69.0962 557973.1564 -6.3395 -6.5180 PRESSURE: 2652200 -184.031 160.598 -102.974 160.598 -226.777 -59.6385 -102.973 -59.6378 -33.8618 GPRESSURE: 2652200 -214.922 137.375 -121.542 111.297 -187.111 -117.079 -189.492 -56.893 48.9479 PRESSAVG: 2652200 34.0695 9.67986 -1.81798 9.67986 -57.9881 16.289 -1.81798 16.289 29.0073 GPRESSAVG: 2652200 32.5495 9.4633 -2.857 9.41622 -56.7268 18.0175 -2.60159 15.3953 29.5231 TIMING: 2652200 CPU: 7696.45, 0.0028772/step Wall: 7696.45, 0.0028772/step, 1.87641 hours remaining, 206.250000 MB of memory in use. ENERGY: 2652200 752.0495 2116.3935 1964.9677 107.2825 -206725.2288 17810.1352 0.0000 0.0000 34154.3504 -149820.0501 298.2784 -183974.4004 -149718.8686 298.2420 -148.2232 -117.6949 557637.6373 1.6963 1.7820 LDB: ============= START OF LOAD BALANCING ============== 7699.91 LDB: ============== END OF LOAD BALANCING =============== 7699.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7699.91 LDB: ============= START OF LOAD BALANCING ============== 7700.2 LDB: Largest compute 4821 load 0.031936 is 27.1% of average load 0.117763 LDB: Average compute 0.001736 is 1.5% of average load 0.117763 LDB: TIME 7700.2 LOAD: AVG 0.117763 MAX 0.178941 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7700.2 LOAD: AVG 0.117763 MAX 0.178941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: TIME 7700.2 LOAD: AVG 0.117763 MAX 0.178941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: ============== END OF LOAD BALANCING =============== 7700.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7700.21 PRESSURE: 2652400 63.2591 -11.7188 -26.2441 -11.7187 93.3515 115.824 -26.2446 115.824 -115.061 GPRESSURE: 2652400 158.349 -21.2016 25.9402 -67.1974 109.493 144.061 -36.6319 106.178 -132.263 PRESSAVG: 2652400 -27.8447 9.15241 -78.6803 9.15243 18.6372 10.4181 -78.6803 10.4182 -32.0936 GPRESSAVG: 2652400 -27.7293 8.80254 -78.4042 10.2045 18.9571 10.9285 -75.9918 10.3226 -32.2692 TIMING: 2652400 CPU: 7697.03, 0.00293197/step Wall: 7697.03, 0.00293197/step, 1.91197 hours remaining, 205.949219 MB of memory in use. ENERGY: 2652400 728.5629 2074.5822 1962.1704 103.3674 -206429.4921 17791.6405 0.0000 0.0000 34018.4718 -149750.6970 297.0918 -183769.1688 -149652.2687 297.4058 13.8499 45.1929 557273.3130 -13.7670 -13.6805 PRESSURE: 2652600 -240.682 60.8947 -136.289 60.895 80.3119 114.822 -136.29 114.822 -16.6043 GPRESSURE: 2652600 -214.962 107.175 -199.125 35.3731 91.7975 182.333 -150.899 99.4684 53.3992 PRESSAVG: 2652600 -17.3571 39.5224 -51.6479 39.5225 18.9796 23.2143 -51.6478 23.2143 -27.7931 GPRESSAVG: 2652600 -18.0563 38.895 -52.4589 41.8357 19.3317 24.9974 -54.0341 21.8372 -27.8225 TIMING: 2652600 CPU: 7697.61, 0.00290128/step Wall: 7697.61, 0.00290128/step, 1.8918 hours remaining, 206.710938 MB of memory in use. ENERGY: 2652600 783.4101 2089.7172 2007.9811 126.4845 -206535.1279 17813.4675 0.0000 0.0000 34120.4279 -149593.6396 297.9822 -183714.0676 -149505.2789 298.1254 -58.9916 -23.2551 557058.7411 -8.7235 -8.8490 PRESSURE: 2652800 134.613 15.1401 95.5263 15.1404 249.941 63.4873 95.5262 63.4876 279.99 GPRESSURE: 2652800 170.087 72.6503 76.3056 -15.0544 247.517 81.0601 110.988 154.083 342.449 PRESSAVG: 2652800 -2.25192 -24.7355 -63.5657 -24.7355 24.6465 -3.20155 -63.5657 -3.2015 -5.4905 GPRESSAVG: 2652800 -3.33466 -25.0486 -62.4489 -25.7765 25.2736 -6.69481 -66.3054 -1.28954 -5.32202 TIMING: 2652800 CPU: 7698.19, 0.00287959/step Wall: 7698.19, 0.00287959/step, 1.87749 hours remaining, 206.710938 MB of memory in use. ENERGY: 2652800 752.1625 2084.2945 1954.9757 109.2762 -206859.2262 18204.0440 0.0000 0.0000 34147.8813 -149606.5918 298.2219 -183754.4732 -149502.3709 298.4949 221.5145 253.3508 556059.8414 5.6347 5.5390 PRESSURE: 2653000 -106.12 -34.5349 87.4812 -34.5329 116.173 -5.13884 87.4821 -5.1392 -144.129 GPRESSURE: 2653000 -46.9851 -55.9049 152.352 -113.891 138.417 5.45769 22.1691 -19.7204 -112.037 PRESSAVG: 2653000 -12.1186 -54.481 -27.6903 -54.4809 -20.5994 35.904 -27.6902 35.9038 -1.0166 GPRESSAVG: 2653000 -11.6197 -52.1489 -27.5069 -57.4423 -21.7485 36.88 -26.3615 36.544 -0.209236 TIMING: 2653000 CPU: 7698.77, 0.00290062/step Wall: 7698.77, 0.00290062/step, 1.89104 hours remaining, 206.710938 MB of memory in use. ENERGY: 2653000 769.7841 2087.7877 1978.2889 119.4512 -206396.9314 17687.2334 0.0000 0.0000 34393.7931 -149360.5930 300.3695 -183754.3861 -149257.7246 298.5604 -44.6919 -6.8684 557567.2734 -11.2449 -11.1925 PRESSURE: 2653200 92.705 90.5666 -13.6624 90.5672 -67.3943 -75.8313 -13.6631 -75.8307 24.7483 GPRESSURE: 2653200 82.0646 163.612 -71.2549 -9.61777 4.65769 -55.5489 -5.95029 -153.625 59.3408 PRESSAVG: 2653200 -27.7632 -11.2834 -35.7624 -11.2835 -20.2079 -18.6279 -35.7624 -18.6278 1.03384 GPRESSAVG: 2653200 -25.5481 -11.2949 -34.4694 -9.2024 -20.6513 -19.208 -34.4242 -20.1103 -0.795371 TIMING: 2653200 CPU: 7699.35, 0.00290332/step Wall: 7699.35, 0.00290332/step, 1.89264 hours remaining, 206.722656 MB of memory in use. ENERGY: 2653200 784.0185 2074.5708 1966.5062 114.1834 -206465.9238 17844.8007 0.0000 0.0000 34373.9816 -149307.8626 300.1965 -183681.8442 -149203.1128 299.0127 16.6863 48.6877 556483.1368 -15.6457 -15.6649 PRESSURE: 2653400 -117.272 116.485 -33.7892 116.484 45.5802 36.6733 -33.7899 36.6731 177.982 GPRESSURE: 2653400 -90.1464 60.2954 6.54065 169.229 87.2712 17.4074 -44.5289 -54.9675 207.526 PRESSAVG: 2653400 -26.1413 11.8571 4.28396 11.8571 -1.45681 -47.2543 4.28395 -47.2543 12.3206 GPRESSAVG: 2653400 -26.7129 12.5705 3.72904 9.85625 -1.37872 -44.9831 3.4524 -45.7825 13.1868 TIMING: 2653400 CPU: 7699.93, 0.00288874/step Wall: 7699.93, 0.00288874/step, 1.88298 hours remaining, 206.722656 MB of memory in use. ENERGY: 2653400 807.4352 2121.4636 1962.3226 104.4079 -206531.8654 17900.7922 0.0000 0.0000 34273.1847 -149362.2592 299.3162 -183635.4439 -149267.2159 298.5525 35.4300 68.2170 556697.9417 -5.0925 -4.9683 PRESSURE: 2653600 37.3568 3.61163 100.224 3.61076 79.2898 -42.1668 100.224 -42.1686 19.3688 GPRESSURE: 2653600 10.2388 -2.98239 71.7982 -34.3292 73.6098 -15.6803 47.7083 24.0004 134.773 PRESSAVG: 2653600 23.5046 -20.3304 48.2343 -20.3303 -10.3204 39.0891 48.2343 39.089 -30.7061 GPRESSAVG: 2653600 21.5687 -21.461 49.1343 -18.244 -7.85858 40.4752 47.7227 37.7528 -31.4496 TIMING: 2653600 CPU: 7700.51, 0.0028952/step Wall: 7700.51, 0.0028952/step, 1.88703 hours remaining, 206.722656 MB of memory in use. ENERGY: 2653600 743.9671 2090.3192 1974.1941 103.9011 -206323.6606 17951.9892 0.0000 0.0000 34354.7777 -149104.5122 300.0288 -183459.2899 -149006.2811 299.4791 45.3385 72.8738 557635.7660 -5.8406 -5.9132 PRESSURE: 2653800 -284.912 -23.017 80.3135 -23.0186 -325.337 15.9605 80.3138 15.959 -54.8273 GPRESSURE: 2653800 -197.261 -17.4085 127.885 -3.67099 -290.807 -61.2858 46.0224 59.2898 -79.7567 PRESSAVG: 2653800 -9.75455 -46.0137 41.9723 -46.0137 26.1644 22.6149 41.9724 22.6149 10.6386 GPRESSAVG: 2653800 -8.82193 -44.5824 41.7757 -47.8579 25.0311 19.429 42.9816 23.2833 10.7521 TIMING: 2653800 CPU: 7701.08, 0.00288709/step Wall: 7701.08, 0.00288709/step, 1.88158 hours remaining, 206.722656 MB of memory in use. ENERGY: 2653800 761.0506 2114.5985 1990.1705 120.9830 -206136.3402 17487.6789 0.0000 0.0000 34359.8952 -149301.9636 300.0735 -183661.8587 -149206.3322 300.0174 -221.6921 -189.2748 558725.7281 9.0162 8.9871 PRESSURE: 2654000 18.9293 74.6748 -85.6367 74.6727 -50.9317 -5.96582 -85.6379 -5.96457 -109.653 GPRESSURE: 2654000 -1.08138 104.979 -81.4905 -93.6653 21.172 28.4722 -66.4995 93.2119 -50.7266 PRESSAVG: 2654000 14.0508 16.628 -27.2774 16.6279 1.66098 -52.6482 -27.2775 -52.6481 -28.863 GPRESSAVG: 2654000 13.6347 13.8961 -28.0799 17.463 2.20431 -52.4859 -25.4949 -52.9823 -28.6277 TIMING: 2654000 CPU: 7701.67, 0.00291611/step Wall: 7701.67, 0.00291611/step, 1.90033 hours remaining, 206.722656 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: 2654000 773.3166 2065.8926 1997.8295 115.6840 -206313.8187 17788.9923 0.0000 0.0000 34071.5737 -149500.5301 297.5555 -183572.1037 -149407.5937 299.0775 -47.2184 -10.2120 556778.4210 -4.3837 -4.2629 PRESSURE: 2654200 -176.6 -193.557 85.4437 -193.556 -129.202 -37.9433 85.4422 -37.9433 -157.774 GPRESSURE: 2654200 -97.861 -225.493 155.195 -231.493 -132.234 -94.1883 15.3539 65.0042 -139.602 PRESSAVG: 2654200 -21.099 -23.3987 -5.85252 -23.3987 8.93474 4.78455 -5.85255 4.78463 23.2904 GPRESSAVG: 2654200 -20.031 -22.4196 -3.34921 -24.6407 8.4863 5.13383 -8.95281 6.45134 22.8232 TIMING: 2654200 CPU: 7702.24, 0.00288343/step Wall: 7702.24, 0.00288343/step, 1.87887 hours remaining, 206.722656 MB of memory in use. ENERGY: 2654200 776.3452 2105.3972 1977.8486 103.3227 -206265.3496 17738.5820 0.0000 0.0000 34219.5836 -149344.2703 298.8481 -183563.8539 -149243.5450 298.7076 -154.5256 -123.2322 558767.3684 3.7087 3.7595 PRESSURE: 2654400 -322.298 -7.21336 20.205 -7.21223 -18.4488 36.4602 20.2049 36.4602 -155.88 GPRESSURE: 2654400 -261.076 41.9513 138.928 -15.4892 14.9315 44.8856 -49.7607 10.2452 -146.863 PRESSAVG: 2654400 -28.9154 -43.4731 23.5938 -43.4731 -8.95954 35.4863 23.5938 35.4862 74.8271 GPRESSAVG: 2654400 -28.0326 -43.7007 19.5169 -40.0932 -10.646 34.6609 26.8695 33.952 76.134 TIMING: 2654400 CPU: 7702.82, 0.00286975/step Wall: 7702.82, 0.00286975/step, 1.8698 hours remaining, 206.722656 MB of memory in use. ENERGY: 2654400 762.1818 2073.7904 1966.9902 115.0641 -206062.3678 17500.3791 0.0000 0.0000 34242.4675 -149401.4948 299.0480 -183643.9623 -149301.4800 298.2978 -165.5425 -131.0024 556570.3353 12.3174 12.4851 PRESSURE: 2654600 -82.9003 40.3148 14.9534 40.3136 -111.77 -62.5757 14.953 -62.5732 182.755 GPRESSURE: 2654600 -25.0753 34.0082 88.1719 34.5431 -90.765 -48.2481 20.1266 -71.3272 185.475 PRESSAVG: 2654600 45.1011 40.9073 -0.645907 40.9072 -57.1259 26.9085 -0.64598 26.9085 31.2622 GPRESSAVG: 2654600 43.5941 42.6258 0.917589 37.4971 -55.3358 28.697 -1.30478 26.4999 30.769 TIMING: 2654600 CPU: 7703.4, 0.00289232/step Wall: 7703.4, 0.00289232/step, 1.88435 hours remaining, 206.722656 MB of memory in use. ENERGY: 2654600 740.8604 2030.4167 1969.8809 107.6743 -206358.5044 17916.1145 0.0000 0.0000 34047.5826 -149545.9750 297.3460 -183593.5575 -149446.0094 298.7445 -3.9718 23.2115 556630.5423 6.4125 6.3424 PRESSURE: 2654800 233.944 -21.4561 15.6226 -21.457 180.902 27.4171 15.6237 27.4163 113.449 GPRESSURE: 2654800 237.171 9.62125 -10.3478 -16.8877 204.15 -140.576 70.4604 167.114 182.727 PRESSAVG: 2654800 22.0904 25.5824 -0.262455 25.5824 -37.401 30.6038 -0.262496 30.6039 -4.80508 GPRESSAVG: 2654800 21.9817 25.5948 -1.96092 27.1038 -37.0478 32.081 -0.960244 32.0385 -4.48032 TIMING: 2654800 CPU: 7703.97, 0.00288528/step Wall: 7703.97, 0.00288528/step, 1.8796 hours remaining, 206.722656 MB of memory in use. ENERGY: 2654800 757.9672 2152.4804 1997.3766 114.8544 -206799.5853 18127.6584 0.0000 0.0000 34242.4876 -149406.7606 299.0482 -183649.2482 -149312.3035 298.4708 176.0982 208.0161 556103.0406 -6.7052 -6.5155 PRESSURE: 2655000 59.768 45.9962 -112.287 45.9959 -131.89 38.5957 -112.287 38.5952 -63.7453 GPRESSURE: 2655000 119.194 -31.8383 -196.676 43.2245 -70.445 58.6893 -107.048 12.0097 -97.3376 PRESSAVG: 2655000 77.6403 -4.28625 8.29439 -4.28619 -38.0424 19.6766 8.29439 19.6765 -35.1929 GPRESSAVG: 2655000 77.7619 -7.11881 9.0539 -5.25727 -38.2355 17.4093 8.82094 19.0379 -34.6375 TIMING: 2655000 CPU: 7704.55, 0.00290211/step Wall: 7704.55, 0.00290211/step, 1.8904 hours remaining, 206.722656 MB of memory in use. ENERGY: 2655000 715.6293 2175.8728 1979.2602 118.0896 -206338.5031 17799.6003 0.0000 0.0000 34271.4317 -149278.6192 299.3009 -183550.0509 -149185.4380 298.1010 -45.2892 -16.1961 558001.1045 1.4683 1.6296 PRESSURE: 2655200 269.978 101.259 40.0572 101.259 84.7538 -124.689 40.0569 -124.689 71.8398 GPRESSURE: 2655200 290.345 39.0139 8.01088 155.263 147.75 -105.303 60.2428 -119.154 89.2785 PRESSAVG: 2655200 63.9183 -5.32444 32.2603 -5.32441 -29.4585 41.6289 32.2603 41.6288 5.336 GPRESSAVG: 2655200 64.5541 -4.23516 30.5303 -5.22676 -29.7397 42.6451 32.6015 41.6513 5.00347 TIMING: 2655200 CPU: 7705.13, 0.00288555/step Wall: 7705.13, 0.00288555/step, 1.87945 hours remaining, 206.722656 MB of memory in use. ENERGY: 2655200 753.5784 2156.3524 1960.6235 111.6272 -206691.1480 18196.6747 0.0000 0.0000 34090.1826 -149422.1093 297.7180 -183512.2919 -149320.1674 298.5601 142.1905 175.7912 557036.1618 13.2652 13.2726 PRESSURE: 2655400 -63.0865 81.2838 2.77353 81.2833 -237.87 102.994 2.77474 102.995 -72.0807 GPRESSURE: 2655400 -33.2295 170.906 -15.4651 107.512 -149.851 94.0547 22.9117 57.2049 -94.0605 PRESSAVG: 2655400 -12.1492 55.4837 21.4408 55.4837 20.8587 -1.79609 21.4409 -1.79612 6.2507 GPRESSAVG: 2655400 -12.1229 56.3906 22.7396 56.6681 21.7664 -2.549 20.0207 -1.68416 5.69036 TIMING: 2655400 CPU: 7705.71, 0.00288862/step Wall: 7705.71, 0.00288862/step, 1.88129 hours remaining, 206.722656 MB of memory in use. ENERGY: 2655400 744.2632 2081.3261 1963.1233 110.3618 -206112.8356 17684.8727 0.0000 0.0000 34151.2990 -149377.5896 298.2518 -183528.8885 -149271.1324 298.5362 -124.3459 -92.3804 558640.3551 4.9868 5.1113 PRESSURE: 2655600 145.474 34.5795 -109.139 34.5785 -337.853 -146.812 -109.139 -146.811 -83.3081 GPRESSURE: 2655600 166.453 95.7999 -163.203 58.3158 -257.676 -136.513 -57.5713 -127.501 -80.8922 PRESSAVG: 2655600 -3.73554 28.3462 -18.4826 28.3463 -15.8747 -17.7387 -18.4827 -17.7387 49.9219 GPRESSAVG: 2655600 -4.13486 29.5259 -17.2628 26.2701 -16.4979 -17.1198 -16.8975 -18.7047 50.2926 TIMING: 2655600 CPU: 7706.28, 0.00288209/step Wall: 7706.28, 0.00288209/step, 1.87688 hours remaining, 206.722656 MB of memory in use. ENERGY: 2655600 760.5962 2137.5717 1952.0902 130.2514 -206622.2671 17971.2233 0.0000 0.0000 34222.3791 -149448.1552 298.8725 -183670.5343 -149355.4924 298.5918 -91.8958 -57.3717 558695.7401 10.1039 9.8866 PRESSURE: 2655800 -233.043 -4.11041 -5.92451 -4.10938 -52.6242 -105.275 -5.92571 -105.276 -248.799 GPRESSURE: 2655800 -248.36 8.55987 16.9912 -78.6091 -4.18407 -110.148 0.33116 -98.2494 -188.633 PRESSAVG: 2655800 -56.6411 8.28288 13.4383 8.28286 -39.8005 -38.1713 13.4383 -38.1713 109.668 GPRESSAVG: 2655800 -56.0899 6.15715 13.5119 11.0235 -40.5446 -38.7448 11.6401 -37.3715 109.369 TIMING: 2655800 CPU: 7706.86, 0.00289216/step Wall: 7706.86, 0.00289216/step, 1.88328 hours remaining, 206.722656 MB of memory in use. ENERGY: 2655800 799.3093 2089.4167 1954.1718 107.3094 -206619.5899 17875.9215 0.0000 0.0000 34259.4546 -149534.0065 299.1963 -183793.4611 -149433.7961 298.0605 -178.1555 -147.0591 558674.4775 4.4086 4.2449 PRESSURE: 2656000 58.0034 153.067 -112.344 153.068 144.091 30.9564 -112.344 30.9552 -18.7598 GPRESSURE: 2656000 97.9669 135.145 -50.5044 17.9666 192.308 37.9252 -172.066 30.8245 -23.0641 PRESSAVG: 2656000 -14.2408 -19.8397 30.7849 -19.8399 -26.6546 -32.8873 30.785 -32.8873 26.3591 GPRESSAVG: 2656000 -15.1396 -19.4827 29.2185 -20.7955 -25.4422 -33.1952 31.3611 -32.4399 26.0568 TIMING: 2656000 CPU: 7707.44, 0.00289039/step Wall: 7707.44, 0.00289039/step, 1.88197 hours remaining, 206.722656 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: 2656000 757.0222 2130.0031 1981.0763 122.6578 -206663.8808 17943.9688 0.0000 0.0000 34142.4554 -149586.6972 298.1746 -183729.1526 -149490.1869 298.1420 61.1114 89.0704 557601.4969 -4.8455 -4.8417 PRESSURE: 2656200 -97.7069 -122.591 -12.4196 -122.591 -176.743 -27.7395 -12.4189 -27.7401 -299.718 GPRESSURE: 2656200 -22.8156 -110.865 -25.5033 -44.4454 -182.374 -13.3227 11.5803 -10.3468 -276.302 PRESSAVG: 2656200 49.7454 18.539 5.9714 18.539 1.53305 -10.0984 5.97137 -10.0983 -7.83813 GPRESSAVG: 2656200 49.9902 18.695 7.76459 17.8458 0.666678 -9.44774 4.08283 -10.7086 -7.9211 TIMING: 2656200 CPU: 7708.02, 0.0028994/step Wall: 7708.02, 0.0028994/step, 1.88767 hours remaining, 206.722656 MB of memory in use. ENERGY: 2656200 701.5880 2105.0039 1956.8987 111.6329 -206513.2295 17598.7659 0.0000 0.0000 34343.7833 -149695.5569 299.9328 -184039.3402 -149594.8337 298.0147 -191.3893 -160.4971 559021.1599 14.4801 14.2453 LDB: ============= START OF LOAD BALANCING ============== 7711.48 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7711.48 LDB: =============== DONE WITH MIGRATION ================ 7711.49 LDB: ============= START OF LOAD BALANCING ============== 7711.77 LDB: Largest compute 4821 load 0.031980 is 27.2% of average load 0.117724 LDB: Average compute 0.001733 is 1.5% of average load 0.117724 LDB: TIME 7711.78 LOAD: AVG 0.117724 MAX 0.178356 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.906 MB LDB: TIME 7711.78 LOAD: AVG 0.117724 MAX 0.178356 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.906 MB LDB: TIME 7711.78 LOAD: AVG 0.117724 MAX 0.178356 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7711.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7711.78 PRESSURE: 2656400 -142.333 -84.1719 -24.9761 -84.1729 -12.1835 -37.052 -24.977 -37.0522 -191.644 GPRESSURE: 2656400 -94.4517 -109.33 53.4622 -18.619 49.765 2.9753 -46.006 -96.0691 -193.972 PRESSAVG: 2656400 -12.145 -2.37233 -13.0516 -2.37234 14.199 4.92973 -13.0517 4.92973 -1.1703 GPRESSAVG: 2656400 -10.9246 -3.12699 -13.4628 -2.40135 14.834 4.63073 -10.4177 3.43368 -2.23029 TIMING: 2656400 CPU: 7708.61, 0.00292688/step Wall: 7708.61, 0.00292688/step, 1.9054 hours remaining, 205.675781 MB of memory in use. ENERGY: 2656400 764.7906 2056.1940 1940.0409 105.0040 -206591.4395 17876.4281 0.0000 0.0000 34124.5744 -149724.4074 298.0184 -183848.9818 -149626.5317 298.1819 -115.3867 -79.5527 558841.9978 0.2945 0.5597 PRESSURE: 2656600 -224.599 -169.631 119.175 -169.631 -258.116 85.1713 119.174 85.1697 -438.826 GPRESSURE: 2656600 -235.79 -198.947 169.9 -170.886 -153.235 112.755 80.9339 69.8379 -435.894 PRESSAVG: 2656600 18.8275 -61.5732 -23.1255 -61.5732 30.323 8.82663 -23.1255 8.82669 -31.9368 GPRESSAVG: 2656600 18.4245 -61.3194 -23.8204 -61.1601 30.9403 9.95923 -23.183 9.75732 -31.9948 TIMING: 2656600 CPU: 7709.18, 0.00287585/step Wall: 7709.18, 0.00287585/step, 1.87202 hours remaining, 205.746094 MB of memory in use. ENERGY: 2656600 744.9024 2115.2705 1943.6486 112.6185 -206190.9231 17712.4285 0.0000 0.0000 33979.0932 -149582.9614 296.7479 -183562.0546 -149491.8312 297.6359 -307.1802 -274.9728 561280.8916 5.7379 5.7900 PRESSURE: 2656800 -130.573 -73.6259 39.347 -73.6254 97.7608 118.832 39.3469 118.832 -103.48 GPRESSURE: 2656800 -94.3607 -81.8651 -30.7427 -131.194 134.483 85.2159 65.761 141.431 -71.7725 PRESSAVG: 2656800 21.9145 -44.4203 -16.5001 -44.4203 -34.2422 14.8966 -16.5001 14.8967 -2.17795 GPRESSAVG: 2656800 22.2778 -44.4839 -15.7998 -42.6445 -35.8607 16.2795 -18.5379 16.5229 -1.38353 TIMING: 2656800 CPU: 7709.76, 0.00288411/step Wall: 7709.76, 0.00288411/step, 1.87723 hours remaining, 205.746094 MB of memory in use. ENERGY: 2656800 724.2307 2111.6521 1971.2681 112.5722 -206506.2440 17998.0433 0.0000 0.0000 34065.4058 -149523.0718 297.5017 -183588.4777 -149422.4250 297.5004 -45.4310 -10.5502 559055.4405 -4.8352 -4.9888 PRESSURE: 2657000 -72.9454 -64.5385 77.6129 -64.5376 11.5835 -77.5007 77.6121 -77.5008 -146.923 GPRESSURE: 2657000 0.21711 -100.973 34.3046 -63.6616 -16.5298 -40.1465 131.67 7.77245 -95.5926 PRESSAVG: 2657000 -126.495 1.88859 -10.2234 1.88852 107.511 47.0187 -10.2234 47.0186 33.0161 GPRESSAVG: 2657000 -126.135 1.77603 -12.6352 -0.913184 106.856 43.1992 -8.03509 47.3025 33.466 TIMING: 2657000 CPU: 7710.33, 0.00286825/step Wall: 7710.33, 0.00286825/step, 1.86675 hours remaining, 205.746094 MB of memory in use. ENERGY: 2657000 762.0029 2145.4606 1976.0397 111.9623 -206657.7749 17837.7726 0.0000 0.0000 34348.2166 -149476.3203 299.9715 -183824.5369 -149376.6050 298.4449 -69.4283 -37.3017 558789.2811 4.6773 4.7290 PRESSURE: 2657200 33.4547 -48.3246 -19.0688 -48.3247 6.09043 69.2559 -19.0679 69.2561 -77.134 GPRESSURE: 2657200 17.4738 -35.6594 -45.383 -24.2954 59.4233 162.478 -39.9423 -6.71938 -24.763 PRESSAVG: 2657200 -72.288 17.5145 -6.52963 17.5145 71.1361 15.4762 -6.5296 15.4763 -33.1726 GPRESSAVG: 2657200 -73.614 15.7598 -4.9341 19.0369 72.3775 16.2641 -5.56329 15.4244 -33.0294 TIMING: 2657200 CPU: 7710.91, 0.00288562/step Wall: 7710.91, 0.00288562/step, 1.8779 hours remaining, 205.746094 MB of memory in use. ENERGY: 2657200 707.6543 2135.6803 1947.4033 126.3247 -206590.5612 17962.8836 0.0000 0.0000 34194.7325 -149515.8826 298.6311 -183710.6150 -149418.3842 299.0708 -12.5296 17.3780 558322.8338 -11.4415 -11.4220 PRESSURE: 2657400 -100.481 -15.1945 -36.8379 -15.1949 154.657 -97.3784 -36.8388 -97.378 -76.8302 GPRESSURE: 2657400 -71.9788 -8.91972 -51.4132 117.08 175.093 -40.3358 -16.6149 -138.406 -29.1192 PRESSAVG: 2657400 23.912 -42.0898 29.9109 -42.0899 -11.5576 -23.3249 29.9108 -23.3249 -12.5425 GPRESSAVG: 2657400 25.5051 -39.2144 27.7492 -43.4551 -11.702 -25.1653 28.8445 -24.0061 -13.7055 TIMING: 2657400 CPU: 7711.49, 0.00289276/step Wall: 7711.49, 0.00289276/step, 1.88239 hours remaining, 205.746094 MB of memory in use. ENERGY: 2657400 750.6460 2129.3395 1930.5071 96.9021 -206493.6789 17954.7789 0.0000 0.0000 34210.4393 -149421.0659 298.7683 -183631.5052 -149329.9510 298.4550 -7.5513 24.6650 558189.5823 -0.0627 0.0325 PRESSURE: 2657600 -25.4696 141.761 85.2232 141.761 -62.3286 27.3899 85.2224 27.3893 244.031 GPRESSURE: 2657600 -4.18429 128.959 129.541 151.816 12.447 -42.7543 99.6884 27.6345 236.188 PRESSAVG: 2657600 -86.8988 16.6961 29.4605 16.6961 -1.80918 12.9418 29.4605 12.9419 72.5565 GPRESSAVG: 2657600 -87.8514 15.042 32.3181 18.211 -1.8571 14.622 28.0557 11.6463 73.2519 TIMING: 2657600 CPU: 7712.06, 0.00288248/step Wall: 7712.06, 0.00288248/step, 1.87553 hours remaining, 205.746094 MB of memory in use. ENERGY: 2657600 753.2894 2136.4702 1994.9669 113.8110 -206685.5622 18040.0551 0.0000 0.0000 34315.7144 -149331.2553 299.6877 -183646.9697 -149234.0114 298.7057 52.0775 81.4834 558494.7443 -5.3838 -5.4855 PRESSURE: 2657800 -107.218 8.55992 109.758 8.55916 -68.9977 -34.4835 109.757 -34.4844 128.555 GPRESSURE: 2657800 4.34279 85.3473 128.036 22.7895 -23.3891 -103.838 186.002 -100.861 68.0197 PRESSAVG: 2657800 -60.2973 -36.7491 19.2276 -36.749 11.0627 -23.54 19.2275 -23.54 64.5901 GPRESSAVG: 2657800 -61.8425 -37.6785 18.1587 -36.935 12.2807 -23.4587 19.7895 -22.7371 65.4055 TIMING: 2657800 CPU: 7712.64, 0.00290007/step Wall: 7712.64, 0.00290007/step, 1.88682 hours remaining, 205.746094 MB of memory in use. ENERGY: 2657800 774.2095 2098.8402 1974.3914 121.4366 -206631.6009 17906.4503 0.0000 0.0000 34404.3878 -149351.8851 300.4621 -183756.2729 -149256.9404 298.0384 -15.8869 16.3244 556969.0870 5.1185 5.2812 PRESSURE: 2658000 -116.252 27.2857 -30.2084 27.2852 -216.143 -39.622 -30.2095 -39.6223 74.7567 GPRESSURE: 2658000 -68.3785 94.905 -31.5155 29.29 -215.402 27.1088 -19.0622 -98.0972 121.417 PRESSAVG: 2658000 -29.4581 1.73616 -8.45171 1.73614 -38.3792 -39.6005 -8.4517 -39.6006 53.0249 GPRESSAVG: 2658000 -27.5169 2.13287 -8.16267 0.551342 -39.4488 -39.8225 -9.20195 -39.8765 51.8415 TIMING: 2658000 CPU: 7713.22, 0.00288343/step Wall: 7713.22, 0.00288343/step, 1.87583 hours remaining, 205.746094 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: 2658000 781.2579 2153.0340 1965.4805 133.1451 -206293.4031 17798.2035 0.0000 0.0000 34244.2717 -149218.0106 299.0637 -183462.2822 -149120.3561 298.3718 -85.8793 -54.1212 558211.0689 -4.9375 -5.0414 PRESSURE: 2658200 37.8077 40.2438 160.512 40.244 -337.24 66.0287 160.512 66.0306 -2.54236 GPRESSURE: 2658200 78.9309 29.3222 150.099 116.056 -311.814 55.3614 120.95 80.3864 23.2525 PRESSAVG: 2658200 30.1347 -7.41326 7.85272 -7.41328 9.24236 -54.9887 7.85271 -54.9887 8.43653 GPRESSAVG: 2658200 29.1218 -8.38338 5.69309 -8.35436 9.86449 -53.7547 10.2223 -53.1241 9.45069 TIMING: 2658200 CPU: 7713.8, 0.00290225/step Wall: 7713.8, 0.00290225/step, 1.88791 hours remaining, 205.746094 MB of memory in use. ENERGY: 2658200 773.9583 2140.9492 1930.6313 120.1303 -205780.7460 17656.0011 0.0000 0.0000 34056.8523 -149102.2235 297.4270 -183159.0758 -149002.2405 299.1152 -100.6581 -69.8767 557438.4595 15.9378 16.1457 PRESSURE: 2658400 -510.55 26.4702 -40.5796 26.4685 -180.474 -69.844 -40.579 -69.8457 -115.283 GPRESSURE: 2658400 -437.676 63.8671 -49.3958 38.2793 -89.2984 -78.2095 -5.96373 -51.3924 -179.505 PRESSAVG: 2658400 -93.1171 16.5067 59.3078 16.5068 -53.9048 -21.2132 59.3078 -21.2131 75.8637 GPRESSAVG: 2658400 -92.3742 19.2675 61.3656 18.5508 -53.7455 -22.3352 58.3969 -22.981 75.1877 TIMING: 2658400 CPU: 7714.38, 0.00290268/step Wall: 7714.38, 0.00290268/step, 1.88803 hours remaining, 205.949219 MB of memory in use. ENERGY: 2658400 736.8873 2139.1697 1974.5012 117.3262 -205827.2164 17519.7186 0.0000 0.0000 34066.8868 -149272.7266 297.5146 -183339.6133 -149166.6095 298.5078 -268.7691 -235.4931 559035.4318 -23.7194 -23.6440 PRESSURE: 2658600 8.85132 45.4313 168.774 45.4314 75.3345 21.2709 168.774 21.2715 -32.8046 GPRESSURE: 2658600 -9.67813 67.5026 200.693 47.0513 107.321 6.45185 99.3588 17.2244 42.4074 PRESSAVG: 2658600 -116.907 33.6183 46.0321 33.6183 59.137 -47.7904 46.032 -47.7904 21.7219 GPRESSAVG: 2658600 -117.936 30.2665 46.6376 34.0651 58.872 -47.5123 45.8381 -45.8822 22.5695 TIMING: 2658600 CPU: 7714.96, 0.00289635/step Wall: 7714.96, 0.00289635/step, 1.88375 hours remaining, 205.949219 MB of memory in use. ENERGY: 2658600 751.1116 2073.0623 1946.8672 114.1449 -206120.3287 17785.1420 0.0000 0.0000 34220.4377 -149229.5629 298.8556 -183450.0007 -149138.7383 298.7358 17.1271 46.6835 558235.0715 -12.0162 -12.1648 PRESSURE: 2658800 163.316 -62.1112 -52.9931 -62.1109 66.8716 -169.031 -52.9927 -169.033 7.74122 GPRESSURE: 2658800 196.401 -80.7792 -79.5044 2.69407 65.6951 -174.474 33.9514 -131.321 73.0596 PRESSAVG: 2658800 30.2081 -32.8068 16.0695 -32.8069 -72.7561 29.0033 16.0694 29.0033 40.3128 GPRESSAVG: 2658800 30.0313 -31.079 14.7432 -35.2497 -74.1451 28.6297 16.3705 25.2683 41.4884 TIMING: 2658800 CPU: 7715.54, 0.00288457/step Wall: 7715.54, 0.00288457/step, 1.87593 hours remaining, 205.949219 MB of memory in use. ENERGY: 2658800 771.2053 2163.5757 1972.1961 115.2028 -206413.6516 17997.0911 0.0000 0.0000 34236.2534 -149158.1273 298.9937 -183394.3807 -149046.6060 299.0497 79.3095 111.7187 556263.6494 -0.7451 -0.8751 PRESSURE: 2659000 175.797 -158.18 75.0029 -158.18 147.893 99.4285 75.0026 99.4277 -458.786 GPRESSURE: 2659000 177.702 -125.55 184.391 -157.36 163.535 95.4948 90.158 53.5807 -386.631 PRESSAVG: 2659000 15.6751 44.2942 -28.6699 44.2942 18.6284 57.9019 -28.6699 57.9017 -41.6432 GPRESSAVG: 2659000 16.1931 43.3534 -26.6864 45.9504 18.7292 57.6474 -30.2613 60.7489 -42.5389 TIMING: 2659000 CPU: 7716.11, 0.0028764/step Wall: 7716.11, 0.0028764/step, 1.87046 hours remaining, 205.949219 MB of memory in use. ENERGY: 2659000 763.6841 2114.0153 1965.3629 107.9961 -206338.1030 17791.6455 0.0000 0.0000 34356.3733 -149239.0258 300.0428 -183595.3991 -149140.7596 299.0451 -45.0318 -15.1313 557660.1625 -2.4466 -2.5389 PRESSURE: 2659200 -48.5306 84.8257 28.9097 84.8254 320.392 190.531 28.9105 190.531 9.66556 GPRESSURE: 2659200 17.7513 115.463 67.1523 70.8853 336.719 187.103 -38.81 151.502 22.4948 PRESSAVG: 2659200 26.3234 -3.41011 76.8115 -3.4101 14.9224 31.9619 76.8115 31.9619 -74.4824 GPRESSAVG: 2659200 26.3517 -4.45086 77.0167 -2.47089 16.1304 31.1449 77.588 31.1083 -75.5167 TIMING: 2659200 CPU: 7716.69, 0.0028883/step Wall: 7716.69, 0.0028883/step, 1.87804 hours remaining, 205.949219 MB of memory in use. ENERGY: 2659200 745.8678 2110.1152 1976.4726 108.3734 -206015.5222 17843.2359 0.0000 0.0000 34151.5171 -149079.9402 298.2537 -183231.4573 -148990.9183 299.7170 93.8422 125.6549 558169.3274 -11.0789 -11.0115 PRESSURE: 2659400 127.711 -28.0694 -180.017 -28.0699 47.3549 64.9977 -180.016 64.9971 -82.356 GPRESSURE: 2659400 108.942 67.3168 -144.857 -64.8612 114.768 22.3509 -169.354 126.023 -50.8647 PRESSAVG: 2659400 18.7865 52.4594 -21.4395 52.4594 -56.2905 12.1843 -21.4395 12.1844 6.50187 GPRESSAVG: 2659400 17.7047 54.1101 -23.9401 51.9433 -56.4281 10.7446 -20.8093 12.2723 8.27046 TIMING: 2659400 CPU: 7717.27, 0.00290124/step Wall: 7717.27, 0.00290124/step, 1.88629 hours remaining, 205.949219 MB of memory in use. ENERGY: 2659400 735.8586 2168.2007 1974.3905 114.9702 -206048.8343 17821.0931 0.0000 0.0000 34207.0526 -149027.2687 298.7387 -183234.3212 -148924.9955 299.2205 30.9033 57.6152 558749.8446 -10.3341 -10.1510 PRESSURE: 2659600 75.7699 83.7589 -120.293 83.7578 -2.36645 83.3185 -120.293 83.3196 -173.689 GPRESSURE: 2659600 111.152 72.1682 -44.9018 139.147 76.7177 2.96436 -189.995 131.678 -198.353 PRESSAVG: 2659600 -17.8145 55.4844 -14.411 55.4844 -19.9499 16.9133 -14.4111 16.9132 23.0234 GPRESSAVG: 2659600 -17.435 54.5696 -13.1217 56.4884 -18.3112 18.5484 -12.5683 15.9425 21.4919 TIMING: 2659600 CPU: 7717.85, 0.00288253/step Wall: 7717.85, 0.00288253/step, 1.87396 hours remaining, 205.949219 MB of memory in use. ENERGY: 2659600 773.7305 2017.9937 1964.5729 137.3247 -206456.5421 17920.5274 0.0000 0.0000 34383.9444 -149258.4486 300.2835 -183642.3929 -149164.3342 299.0817 -33.4285 -3.4942 556488.2135 -4.9137 -4.7514 PRESSURE: 2659800 -288.216 97.996 108.403 97.9973 -245.159 177.036 108.402 177.037 128.376 GPRESSURE: 2659800 -246 38.8521 132.181 163.955 -159.295 176.843 135.585 149.52 84.1066 PRESSAVG: 2659800 -7.78451 -11.7203 24.6367 -11.7203 -65.8571 -35.2345 24.6366 -35.2344 80.4598 GPRESSAVG: 2659800 -7.15328 -12.0654 23.5592 -12.6792 -66.3742 -34.8029 22.0372 -33.2877 80.6781 TIMING: 2659800 CPU: 7718.42, 0.00287677/step Wall: 7718.42, 0.00287677/step, 1.87006 hours remaining, 205.949219 MB of memory in use. ENERGY: 2659800 727.5264 2092.6239 2000.8330 108.0621 -205787.4356 17443.2939 0.0000 0.0000 34342.9954 -149072.1010 299.9259 -183415.0964 -148976.0284 299.6343 -134.9995 -107.0628 557152.8472 2.2727 2.3835 PRESSURE: 2660000 148.544 -101.118 -6.41403 -101.119 83.4727 -94.0402 -6.41393 -94.039 -221.021 GPRESSURE: 2660000 135.748 -58.5875 1.53949 -81.106 145.588 -53.5481 -24.5521 -183.129 -187.774 PRESSAVG: 2660000 32.5185 24.2471 -10.8571 24.2473 53.7849 46.3139 -10.8571 46.314 -57.5866 GPRESSAVG: 2660000 33.2453 24.6964 -9.38481 24.1601 52.1971 46.5074 -11.3077 44.6782 -57.048 TIMING: 2660000 CPU: 7719, 0.00288168/step Wall: 7719, 0.00288168/step, 1.87309 hours remaining, 205.949219 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: 2660000 759.1681 2048.5323 1962.6965 109.7289 -206279.3486 17907.2531 0.0000 0.0000 34416.8963 -149075.0734 300.5713 -183491.9697 -148979.8657 299.4253 3.6653 31.1872 557671.0418 9.5723 9.4648 PRESSURE: 2660200 -95.5754 -63.4463 -60.122 -63.4458 68.7715 -79.9297 -60.1217 -79.9315 -59.9046 GPRESSURE: 2660200 -119.1 -39.619 -100.071 -127.29 106.252 -74.6074 -93.3292 -35.8623 29.0692 PRESSAVG: 2660200 2.49999 7.06056 14.3955 7.06066 37.1663 30.9209 14.3955 30.9209 -34.4376 GPRESSAVG: 2660200 3.06995 7.5902 15.5409 6.89545 37.8608 33.3942 12.2286 29.8596 -34.406 TIMING: 2660200 CPU: 7719.57, 0.00287351/step Wall: 7719.57, 0.00287351/step, 1.86762 hours remaining, 205.949219 MB of memory in use. ENERGY: 2660200 742.6726 2113.7877 1974.4173 98.7360 -206113.7218 17672.8198 0.0000 0.0000 34398.8331 -149112.4553 300.4136 -183511.2884 -149019.2420 300.0384 -28.9028 5.4071 556225.3782 1.7429 2.1749 LDB: ============= START OF LOAD BALANCING ============== 7723.04 LDB: ============== END OF LOAD BALANCING =============== 7723.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7723.04 LDB: ============= START OF LOAD BALANCING ============== 7723.33 LDB: Largest compute 4821 load 0.030520 is 25.9% of average load 0.117724 LDB: Average compute 0.001721 is 1.5% of average load 0.117724 LDB: TIME 7723.33 LOAD: AVG 0.117724 MAX 0.177133 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 7723.33 LOAD: AVG 0.117724 MAX 0.177133 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.625 MB LDB: TIME 7723.33 LOAD: AVG 0.117724 MAX 0.177133 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.625 MB LDB: ============== END OF LOAD BALANCING =============== 7723.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7723.34 PRESSURE: 2660400 -364.682 7.04242 51.4203 7.04195 -38.7999 59.8743 51.4202 59.8759 11.0371 GPRESSURE: 2660400 -336.873 22.8182 110.658 58.1638 20.3675 29.8069 -41.5751 44.1555 18.4512 PRESSAVG: 2660400 -44.844 -37.6009 16.1101 -37.6009 -1.62385 -0.632468 16.1101 -0.632434 29.0093 GPRESSAVG: 2660400 -45.6216 -37.153 14.977 -37.5226 0.300521 -2.84771 19.2551 1.88252 27.9102 TIMING: 2660400 CPU: 7720.16, 0.00293443/step Wall: 7720.16, 0.00293443/step, 1.90705 hours remaining, 205.621094 MB of memory in use. ENERGY: 2660400 710.0683 2166.9822 1958.1757 115.7651 -205877.3836 17350.0103 0.0000 0.0000 34464.3730 -149112.0090 300.9859 -183576.3819 -149011.8988 300.0068 -130.8148 -99.3515 556021.4445 -5.8195 -5.8036 PRESSURE: 2660600 -203.061 96.1872 -223.81 96.1875 62.6715 119.852 -223.812 119.852 12.6989 GPRESSURE: 2660600 -129.411 22.2338 -144.807 44.9514 74.4522 143.184 -206.838 130.679 15.6691 PRESSAVG: 2660600 -25.8555 -2.26743 -70.6771 -2.26744 -34.6049 -20.6452 -70.6772 -20.6453 32.493 GPRESSAVG: 2660600 -25.9115 -3.36798 -69.3831 -2.12292 -35.8091 -21.3198 -70.4435 -21.6242 33.5516 TIMING: 2660600 CPU: 7720.74, 0.00288327/step Wall: 7720.74, 0.00288327/step, 1.87364 hours remaining, 205.621094 MB of memory in use. ENERGY: 2660600 751.7292 2052.3673 1962.7816 104.7002 -205839.5436 17627.1592 0.0000 0.0000 34302.8076 -149037.9985 299.5750 -183340.8062 -148946.7589 299.5405 -42.5636 -13.0967 556577.8412 -9.3225 -9.3896 PRESSURE: 2660800 83.8753 -12.198 -123.375 -12.1973 126.073 166.038 -123.375 166.039 65.2976 GPRESSURE: 2660800 107.556 -75.3704 -106.297 41.3116 178.971 236.928 -82.5277 175.472 78.8618 PRESSAVG: 2660800 -17.406 12.2254 7.33161 12.2255 -49.8207 12.3907 7.33173 12.3907 39.5245 GPRESSAVG: 2660800 -16.4613 11.8544 6.16344 9.96447 -50.7677 13.8209 5.63152 11.2948 39.9121 TIMING: 2660800 CPU: 7721.31, 0.00287958/step Wall: 7721.31, 0.00287958/step, 1.87109 hours remaining, 205.621094 MB of memory in use. ENERGY: 2660800 743.1010 2103.1882 1940.9971 109.2104 -206180.2849 17799.2188 0.0000 0.0000 34437.7886 -149046.7810 300.7538 -183484.5696 -148951.4908 299.9101 91.7485 121.7961 556548.8992 -9.2340 -9.1056 PRESSURE: 2661000 127.271 69.9431 32.7815 69.9431 -244.733 33.1274 32.7817 33.1285 -105.705 GPRESSURE: 2661000 160.517 70.2024 1.23946 30.1775 -210.866 52.802 54.5837 6.76243 -76.3156 PRESSAVG: 2661000 -45.4109 -13.1768 -63.6849 -13.1768 16.1003 50.9802 -63.6849 50.98 44.8594 GPRESSAVG: 2661000 -45.8205 -12.7793 -66.4866 -10.5695 15.4648 51.3806 -61.5863 52.3713 46.2402 TIMING: 2661000 CPU: 7721.89, 0.00289169/step Wall: 7721.89, 0.00289169/step, 1.87879 hours remaining, 205.621094 MB of memory in use. ENERGY: 2661000 802.2609 2135.3596 1940.2139 114.1092 -205829.7613 17590.9539 0.0000 0.0000 34199.0237 -149047.8401 298.6686 -183246.8638 -148946.7731 299.6071 -74.3891 -42.2216 558171.1998 5.1829 5.2948 PRESSURE: 2661200 -75.3038 69.383 52.2274 69.3822 -70.0091 -34.1004 52.2266 -34.0997 -181.905 GPRESSURE: 2661200 -99.6801 5.60592 -25.2433 53.1309 -27.6836 -70.4426 105.879 49.5102 -104.322 PRESSAVG: 2661200 46.9643 -30.2229 -11.8564 -30.2229 -64.1861 7.94051 -11.8564 7.94049 27.7934 GPRESSAVG: 2661200 46.6361 -29.1333 -11.9261 -31.4093 -63.4213 6.87949 -12.8097 8.03045 27.4963 TIMING: 2661200 CPU: 7722.47, 0.002869/step Wall: 7722.47, 0.002869/step, 1.86389 hours remaining, 205.621094 MB of memory in use. ENERGY: 2661200 799.9699 2149.5607 1944.8448 117.1015 -206189.3158 17615.4428 0.0000 0.0000 34440.9495 -149121.4466 300.7814 -183562.3961 -149024.7050 300.1306 -109.0725 -77.2285 557828.2635 3.5239 3.5704 PRESSURE: 2661400 -130.381 -52.663 3.72512 -52.6622 -117.751 160.277 3.72546 160.277 96.777 GPRESSURE: 2661400 -60.8927 -143.025 -2.60815 -68.195 -116.231 185.809 -9.85245 34.1279 120.668 PRESSAVG: 2661400 7.15462 -6.39258 -15.3395 -6.39244 44.249 42.8192 -15.3396 42.8193 21.0527 GPRESSAVG: 2661400 7.10334 -8.41851 -12.7505 -6.55396 45.3103 42.9009 -14.7956 40.0802 20.1592 TIMING: 2661400 CPU: 7723.04, 0.00287643/step Wall: 7723.04, 0.00287643/step, 1.86856 hours remaining, 205.621094 MB of memory in use. ENERGY: 2661400 757.7334 2088.7578 1967.5221 109.7065 -206153.1009 17678.3074 0.0000 0.0000 34212.9457 -149338.1279 298.7902 -183551.0736 -149242.4479 299.6315 -50.4518 -18.8185 557885.0972 24.1521 24.1909 PRESSURE: 2661600 -110.928 -105.492 -100.653 -105.493 30.2565 31.8173 -100.653 31.817 -75.1728 GPRESSURE: 2661600 -75.3232 -45.1976 -99.8103 -189.445 94.5586 20.8447 -46.0881 9.03441 -66.4152 PRESSAVG: 2661600 -73.7662 5.0221 -34.8366 5.02207 45.8629 11.0997 -34.8367 11.0996 -1.21042 GPRESSAVG: 2661600 -72.1534 6.21129 -35.7857 5.46686 45.3622 11.5657 -35.4858 13.2363 -2.29728 TIMING: 2661600 CPU: 7723.61, 0.00286695/step Wall: 7723.61, 0.00286695/step, 1.86224 hours remaining, 205.878906 MB of memory in use. ENERGY: 2661600 755.5675 2089.4466 1972.8391 113.1227 -206424.3191 17896.7620 0.0000 0.0000 34131.7830 -149464.7982 298.0814 -183596.5812 -149370.1785 299.7238 -51.9481 -15.7266 558310.3860 -9.7046 -9.6962 PRESSURE: 2661800 162.202 -68.8549 -163.032 -68.8555 114.351 75.9378 -163.032 75.9366 14.7487 GPRESSURE: 2661800 211.036 -12.5658 -160.447 -92.3455 198.839 145.799 -152.016 38.2529 -32.0674 PRESSAVG: 2661800 -14.375 -48.9481 -27.5389 -48.9483 20.4401 -5.72561 -27.5389 -5.72558 29.2922 GPRESSAVG: 2661800 -15.5199 -48.8021 -28.3924 -47.5449 20.5499 -3.23645 -27.4204 -5.4269 30.4671 TIMING: 2661800 CPU: 7724.19, 0.00287546/step Wall: 7724.19, 0.00287546/step, 1.86761 hours remaining, 205.878906 MB of memory in use. ENERGY: 2661800 731.3065 2110.8803 1987.7655 107.5457 -206737.4238 17868.8394 0.0000 0.0000 34444.7111 -149486.3753 300.8142 -183931.0864 -149393.6856 298.7017 97.1004 125.9360 554449.7612 11.7857 11.8323 PRESSURE: 2662000 -217.457 54.9357 -128.61 54.935 -48.6867 67.5242 -128.611 67.525 -58.8203 GPRESSURE: 2662000 -170.428 50.0048 -94.3233 62.6691 22.2206 87.4683 -87.2569 8.41492 -63.6299 PRESSAVG: 2662000 41.9462 21.4593 -11.2698 21.4592 -20.7696 -20.6282 -11.2698 -20.6283 25.0124 GPRESSAVG: 2662000 42.8372 21.5457 -10.231 21.2886 -20.7825 -22.5848 -12.1456 -21.2463 24.7072 TIMING: 2662000 CPU: 7724.76, 0.00286947/step Wall: 7724.76, 0.00286947/step, 1.86356 hours remaining, 205.878906 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: 2662000 781.0091 2016.9144 1997.3094 104.2397 -206367.6877 17820.8063 0.0000 0.0000 34187.1366 -149460.2721 298.5648 -183647.4087 -149360.1151 299.5890 -108.3214 -70.6126 556045.8394 15.3964 15.5873 PRESSURE: 2662200 19.4543 45.8573 -76.0773 45.8573 30.5097 -10.3268 -76.0771 -10.3258 -196.508 GPRESSURE: 2662200 49.1293 44.8063 -28.1556 19.0758 45.932 10.7467 -78.0475 -32.0709 -143.98 PRESSAVG: 2662200 14.3726 -7.79597 29.1391 -7.79591 64.2538 40.4732 29.1391 40.4731 -34.0491 GPRESSAVG: 2662200 14.7352 -7.31471 27.4296 -7.97463 64.355 40.367 29.4726 39.0351 -34.2163 TIMING: 2662200 CPU: 7725.34, 0.00287055/step Wall: 7725.34, 0.00287055/step, 1.8641 hours remaining, 205.878906 MB of memory in use. ENERGY: 2662200 700.9493 2061.8549 1971.2825 109.0055 -206191.5745 17508.4018 0.0000 0.0000 34370.4627 -149469.6179 300.1658 -183840.0806 -149371.0963 298.9929 -48.8479 -16.3061 556086.3809 14.8591 14.9580 PRESSURE: 2662400 181.049 63.875 130.456 63.8744 179.762 -182.06 130.455 -182.06 1.65552 GPRESSURE: 2662400 279.489 -68.1194 203.434 119.916 175.741 -150.826 162.796 -216.998 -8.11392 PRESSAVG: 2662400 -28.9283 22.0748 54.5471 22.0747 8.94934 18.4211 54.5471 18.421 46.9095 GPRESSAVG: 2662400 -29.4669 20.9129 55.5978 23.3533 8.73158 18.8763 53.4764 19.0468 46.9597 TIMING: 2662400 CPU: 7725.91, 0.0028754/step Wall: 7725.91, 0.0028754/step, 1.86709 hours remaining, 205.878906 MB of memory in use. ENERGY: 2662400 723.4942 2080.0574 1966.3528 113.5228 -206437.8626 18014.7439 0.0000 0.0000 34008.2063 -149531.4853 297.0021 -183539.6916 -149436.1034 298.3434 120.8220 149.0389 557656.1162 8.9768 8.7415 PRESSURE: 2662600 112.137 85.004 26.2169 85.0028 198.694 -101.429 26.2172 -101.428 297.044 GPRESSURE: 2662600 157.002 136.574 -45.2889 36.0667 275.087 -154.902 36.0373 -155.209 278.199 PRESSAVG: 2662600 -27.0778 0.599044 42.2176 0.59904 -19.6693 -10.8186 42.2176 -10.8185 38.019 GPRESSAVG: 2662600 -26.0967 2.41765 42.3177 -3.33554 -20.3925 -11.2629 42.0579 -11.1618 37.8239 TIMING: 2662600 CPU: 7726.49, 0.00287933/step Wall: 7726.49, 0.00287933/step, 1.86949 hours remaining, 205.878906 MB of memory in use. ENERGY: 2662600 721.7336 2056.4935 1949.6356 115.9921 -206892.3584 18166.2529 0.0000 0.0000 34315.5331 -149566.7176 299.6861 -183882.2507 -149471.8799 298.4580 202.6250 236.7631 556647.5766 -2.9094 -2.8884 PRESSURE: 2662800 -92.1064 -79.7254 -140.83 -79.727 -78.8654 34.6376 -140.83 34.6366 -177.778 GPRESSURE: 2662800 -100.406 -106.365 -105.216 -74.9521 -34.7261 31.5506 -98.1337 69.8143 -119.013 PRESSAVG: 2662800 17.706 -32.3615 -38.504 -32.3616 -0.433132 -21.1907 -38.504 -21.1907 26.3097 GPRESSAVG: 2662800 16.2717 -32.8207 -39.5927 -29.3629 0.504385 -21.4787 -37.9584 -19.412 26.6891 TIMING: 2662800 CPU: 7727.06, 0.00287423/step Wall: 7727.06, 0.00287423/step, 1.86601 hours remaining, 205.878906 MB of memory in use. ENERGY: 2662800 741.1801 2073.5199 1964.0174 117.2394 -206176.0989 17748.3634 0.0000 0.0000 34102.1053 -149429.6734 297.8222 -183531.7787 -149331.2869 298.8725 -116.2498 -84.7150 558901.3307 14.5275 14.4884 PRESSURE: 2663000 -91.0694 -0.151914 -6.10137 -0.152424 -131.211 39.922 -6.09988 39.9218 73.8333 GPRESSURE: 2663000 -46.5194 -32.5011 3.81684 10.4993 -83.6531 -21.5267 -10.3468 62.4719 79.7282 PRESSAVG: 2663000 0.575327 -31.4187 -17.5524 -31.4187 13.4441 -13.783 -17.5524 -13.7829 -4.81823 GPRESSAVG: 2663000 1.94331 -31.7564 -18.0157 -31.2364 11.4553 -14.3373 -16.9174 -14.0961 -4.46759 TIMING: 2663000 CPU: 7727.64, 0.00287573/step Wall: 7727.64, 0.00287573/step, 1.86683 hours remaining, 205.878906 MB of memory in use. ENERGY: 2663000 746.9962 2096.9192 1936.7508 106.1413 -206239.0712 17624.1431 0.0000 0.0000 34344.4843 -149383.6364 299.9389 -183728.1207 -149284.8090 298.7455 -49.4823 -16.8148 556526.1774 3.0671 2.9770 PRESSURE: 2663200 223.719 -11.2333 -123.174 -11.2324 174.981 1.51897 -123.173 1.5184 139.11 GPRESSURE: 2663200 232.113 -12.2654 -114.028 -48.7441 260.363 18.3622 -129.595 3.82262 157.416 PRESSAVG: 2663200 -7.90879 -33.5744 -27.4884 -33.5745 -4.03823 -30.927 -27.4884 -30.9271 36.9033 GPRESSAVG: 2663200 -10.1897 -34.6849 -25.444 -34.1513 -2.20579 -31.3438 -27.6328 -31.6591 37.2473 TIMING: 2663200 CPU: 7728.22, 0.00288528/step Wall: 7728.22, 0.00288528/step, 1.87287 hours remaining, 205.878906 MB of memory in use. ENERGY: 2663200 693.5024 2083.2001 1971.6443 127.6270 -206560.0323 18025.6539 0.0000 0.0000 34212.5987 -149445.8058 298.7871 -183658.4046 -149349.9867 298.0777 179.2698 216.6306 555845.4325 8.3187 8.2839 PRESSURE: 2663400 -78.817 78.1422 44.3624 78.1412 -275.317 6.96115 44.3624 6.96237 -59.7996 GPRESSURE: 2663400 -50.8308 47.4731 15.1363 154.511 -265.085 -41.5953 52.9675 65.5546 -1.99073 PRESSAVG: 2663400 11.8284 -32.3715 -32.0026 -32.3715 45.4194 -16.6277 -32.0026 -16.6276 -61.4841 GPRESSAVG: 2663400 13.7033 -29.7075 -31.4195 -32.028 43.4791 -14.1349 -32.9891 -18.2045 -61.2811 TIMING: 2663400 CPU: 7728.79, 0.0028788/step Wall: 7728.79, 0.0028788/step, 1.8685 hours remaining, 205.878906 MB of memory in use. ENERGY: 2663400 758.8522 2040.5757 1967.3708 116.0764 -206091.8895 17597.8420 0.0000 0.0000 34220.9444 -149390.2279 298.8600 -183611.1724 -149296.3901 298.2139 -137.9778 -105.9688 556342.6888 -1.4121 -1.3662 PRESSURE: 2663600 -161.619 -8.2272 -30.6362 -8.22678 23.2833 161.655 -30.6357 161.653 200.193 GPRESSURE: 2663600 -59.5791 -39.5563 -4.53748 -45.7883 54.8731 74.4931 -38.5627 193.381 169.585 PRESSAVG: 2663600 -48.5055 -5.48317 5.96495 -5.48322 45.1979 -53.5212 5.96499 -53.5212 17.1785 GPRESSAVG: 2663600 -47.1237 -7.94183 2.86144 -6.31036 46.6918 -53.0874 7.67608 -52.8251 14.3918 TIMING: 2663600 CPU: 7729.37, 0.00286801/step Wall: 7729.37, 0.00286801/step, 1.86134 hours remaining, 205.878906 MB of memory in use. ENERGY: 2663600 749.2494 2146.7548 1971.2627 105.4451 -206385.4458 17818.1022 0.0000 0.0000 34193.3286 -149401.3032 298.6188 -183594.6318 -149309.0149 299.0525 20.6194 54.9598 556643.3896 4.6236 4.6533 PRESSURE: 2663800 -37.6711 -24.3229 4.48502 -24.3234 -258.012 -13.6875 4.48448 -13.6892 -377.69 GPRESSURE: 2663800 -40.8849 -4.45738 -82.6487 70.0941 -210.934 -17.2203 37.9555 19.6957 -330.738 PRESSAVG: 2663800 -24.967 59.598 24.1312 59.598 -54.0953 -23.6375 24.1313 -23.6375 54.1166 GPRESSAVG: 2663800 -25.4102 59.0322 26.6701 61.9317 -55.0624 -25.1025 23.2978 -24.1724 55.5319 TIMING: 2663800 CPU: 7729.94, 0.00288663/step Wall: 7729.94, 0.00288663/step, 1.87326 hours remaining, 205.878906 MB of memory in use. ENERGY: 2663800 736.1691 2114.4752 1955.6273 108.3722 -206144.9332 17597.2841 0.0000 0.0000 34029.7401 -149603.2652 297.1902 -183633.0053 -149495.8611 298.3101 -224.4578 -194.1854 557791.4747 -8.3152 -8.3136 PRESSURE: 2664000 -125.297 73.197 99.5277 73.1975 -314.233 -202.064 99.5296 -202.064 -136.963 GPRESSURE: 2664000 -84.8477 80.4466 73.8512 54.0588 -305.709 -142.647 42.6962 -290.695 -85.3451 PRESSAVG: 2664000 19.1874 24.5951 45.6571 24.5951 -17.5436 -20.1675 45.6571 -20.1675 10.309 GPRESSAVG: 2664000 18.0993 25.135 43.8853 21.6027 -17.2564 -18.1178 45.4944 -19.8288 11.3871 TIMING: 2664000 CPU: 7730.52, 0.00289028/step Wall: 7730.52, 0.00289028/step, 1.87547 hours remaining, 205.878906 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: 2664000 757.7092 2116.6088 1974.0979 105.5777 -206469.8280 17757.1563 0.0000 0.0000 34093.6945 -149664.9836 297.7487 -183758.6781 -149575.0155 297.5257 -192.1644 -158.6341 557445.8039 3.9843 4.0767 PRESSURE: 2664200 8.78083 -97.7872 5.94717 -97.7883 -236.973 -44.107 5.94742 -44.1065 -96.8495 GPRESSURE: 2664200 33.0917 2.06143 -32.725 -161.757 -255.356 -52.9393 11.8192 -20.4273 -5.03625 PRESSAVG: 2664200 -39.4053 -3.37567 5.06158 -3.37555 9.83583 -11.6414 5.06156 -11.6415 3.44222 GPRESSAVG: 2664200 -38.8586 -4.22588 4.47954 -0.926553 9.67574 -13.3325 8.73198 -11.2123 3.19 TIMING: 2664200 CPU: 7731.09, 0.00287211/step Wall: 7731.09, 0.00287211/step, 1.86352 hours remaining, 205.878906 MB of memory in use. ENERGY: 2664200 754.1586 2102.9905 1954.0819 113.5310 -206120.1163 17531.1721 0.0000 0.0000 34127.8657 -149536.3165 298.0471 -183664.1821 -149437.1773 298.0297 -108.3471 -75.7670 556917.4778 -8.7091 -8.6643 LDB: ============= START OF LOAD BALANCING ============== 7734.56 LDB: ============== END OF LOAD BALANCING =============== 7734.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.56 LDB: ============= START OF LOAD BALANCING ============== 7734.85 LDB: Largest compute 4821 load 0.032425 is 27.5% of average load 0.117743 LDB: Average compute 0.001732 is 1.5% of average load 0.117743 LDB: TIME 7734.85 LOAD: AVG 0.117743 MAX 0.176943 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 7734.85 LOAD: AVG 0.117743 MAX 0.176943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 7734.85 LOAD: AVG 0.117743 MAX 0.176943 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7734.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.86 PRESSURE: 2664400 215.365 -33.3927 122.616 -33.3927 -217.374 -102.577 122.616 -102.578 233.12 GPRESSURE: 2664400 186.437 -8.88943 156.046 -107.907 -161.116 -56.3732 116.916 -137.87 294.382 PRESSAVG: 2664400 26.8463 -74.8961 -23.8987 -74.8961 -32.6686 -71.408 -23.8988 -71.4078 36.9143 GPRESSAVG: 2664400 26.3786 -73.9682 -21.9724 -77.3187 -32.0197 -70.9047 -27.8622 -71.6857 37.1602 TIMING: 2664400 CPU: 7731.68, 0.00293381/step Wall: 7731.68, 0.00293381/step, 1.90339 hours remaining, 206.359375 MB of memory in use. ENERGY: 2664400 731.7954 2129.8287 1969.0875 109.9336 -205862.3754 17624.3314 0.0000 0.0000 34032.1146 -149265.2842 297.2109 -183297.3988 -149163.3089 298.7461 77.0369 106.5674 557886.0522 10.3640 10.5064 PRESSURE: 2664600 -61.8291 29.3226 85.2741 29.3228 -32.7654 -96.9143 85.2737 -96.9143 48.5485 GPRESSURE: 2664600 11.4527 22.336 43.9145 30.4805 -36.2465 -114.055 120.787 -223.73 90.4204 PRESSAVG: 2664600 72.7514 -27.2424 -3.15251 -27.2425 -56.2817 -43.8096 -3.15245 -43.8096 -8.57661 GPRESSAVG: 2664600 74.3454 -30.5045 -4.32278 -25.45 -56.1782 -44.4071 -3.15231 -43.5315 -10.0564 TIMING: 2664600 CPU: 7732.26, 0.00289012/step Wall: 7732.26, 0.00289012/step, 1.87488 hours remaining, 206.562500 MB of memory in use. ENERGY: 2664600 725.7169 2144.4617 1963.2933 116.4607 -206411.1074 17866.3914 0.0000 0.0000 34440.6567 -149154.1268 300.7788 -183594.7835 -149057.9840 299.8442 -15.3487 21.8755 557084.6205 2.6310 2.7036 PRESSURE: 2664800 -85.051 -149.333 205.324 -149.332 151.569 -93.0043 205.325 -93.0057 53.8212 GPRESSURE: 2664800 -53.179 -133.653 179.726 -139.491 183.846 -91.0183 171.812 -196.582 80.2403 PRESSAVG: 2664800 11.3375 -43.1194 -28.0066 -43.1194 -16.1276 -31.649 -28.0066 -31.6489 -6.12639 GPRESSAVG: 2664800 9.96652 -41.0321 -29.2425 -45.1462 -16.6874 -31.6269 -25.4042 -32.2243 -4.34336 TIMING: 2664800 CPU: 7732.84, 0.00288646/step Wall: 7732.84, 0.00288646/step, 1.87235 hours remaining, 206.562500 MB of memory in use. ENERGY: 2664800 764.2529 2158.0911 1965.2577 116.7805 -206328.8564 17834.0654 0.0000 0.0000 34415.9842 -149074.4246 300.5633 -183490.4087 -148971.8656 299.8601 40.1131 70.3023 555782.3797 -3.6388 -3.6881 PRESSURE: 2665000 122.48 -61.5899 44.335 -61.5882 -39.8893 -157.421 44.3353 -157.421 89.9817 GPRESSURE: 2665000 117.222 -78.1682 75.6379 -79.6098 7.21399 8.91074 53.3099 -158.71 140.313 PRESSAVG: 2665000 6.69672 -35.3613 6.7698 -35.3612 33.2636 -15.5596 6.76982 -15.5597 -32.6828 GPRESSAVG: 2665000 6.87651 -36.1336 10.1778 -32.5581 34.9071 -14.4134 3.41706 -16.1749 -34.3634 TIMING: 2665000 CPU: 7733.41, 0.00288299/step Wall: 7733.41, 0.00288299/step, 1.86994 hours remaining, 206.562500 MB of memory in use. ENERGY: 2665000 765.7906 2137.8546 1973.3139 104.0940 -206253.8373 17896.5193 0.0000 0.0000 34346.9024 -149029.3625 299.9600 -183376.2649 -148932.5625 299.9878 57.5240 88.2497 557155.2540 2.4258 2.4734 PRESSURE: 2665200 86.5935 54.8632 279.117 54.8632 57.0379 48.3338 279.118 48.3348 18.6636 GPRESSURE: 2665200 77.6678 -22.7375 259.223 55.2226 71.2926 82.6861 223.367 24.0707 107.843 PRESSAVG: 2665200 19.6354 -33.4738 15.3716 -33.4738 60.0562 17.9874 15.3716 17.9872 -7.71523 GPRESSAVG: 2665200 19.2364 -33.3528 13.324 -36.3713 59.3717 19.4538 14.1997 17.0502 -6.04921 TIMING: 2665200 CPU: 7733.99, 0.00288475/step Wall: 7733.99, 0.00288475/step, 1.87092 hours remaining, 206.562500 MB of memory in use. ENERGY: 2665200 750.5075 2151.8624 1989.9007 115.3543 -206016.5547 17818.4629 0.0000 0.0000 34329.0808 -148861.3861 299.8044 -183190.4669 -148769.8608 300.5250 54.0983 85.6010 556882.2130 23.9921 24.1863 PRESSURE: 2665400 -8.04549 58.1679 101.239 58.1684 91.8911 -298.631 101.24 -298.632 150.136 GPRESSURE: 2665400 43.4094 66.7921 57.9266 -15.1525 129.28 -340.404 89.6069 -232.277 165.937 PRESSAVG: 2665400 -38.1528 -32.517 -0.786059 -32.5171 -41.7065 -11.3027 -0.786091 -11.3026 57.6349 GPRESSAVG: 2665400 -38.8388 -29.8683 -1.06206 -33.9967 -40.0763 -14.2586 1.95816 -9.45559 57.0767 TIMING: 2665400 CPU: 7734.57, 0.00290163/step Wall: 7734.57, 0.00290163/step, 1.88171 hours remaining, 206.562500 MB of memory in use. ENERGY: 2665400 742.6052 2104.3878 1996.7984 117.3585 -206149.0015 17862.9986 0.0000 0.0000 34437.2860 -148887.5669 300.7494 -183324.8529 -148786.3548 300.2889 77.9938 112.8754 557389.5558 -7.4082 -7.2795 PRESSURE: 2665600 31.6469 44.1044 -113.687 44.1041 -115.882 102.685 -113.687 102.683 -85.4916 GPRESSURE: 2665600 54.7138 -23.4849 -117.235 70.9628 -66.1489 47.0159 -71.1993 96.609 -39.4177 PRESSAVG: 2665600 43.4426 -10.6305 -39.7431 -10.6305 -5.17003 16.713 -39.7431 16.7131 6.06889 GPRESSAVG: 2665600 44.1861 -11.7203 -39.1414 -8.66276 -6.12869 18.6546 -38.6207 16.0907 6.39955 TIMING: 2665600 CPU: 7735.15, 0.00290727/step Wall: 7735.15, 0.00290727/step, 1.8852 hours remaining, 206.562500 MB of memory in use. ENERGY: 2665600 760.3854 2227.1937 1975.6949 118.1405 -206005.5731 17744.2454 0.0000 0.0000 34338.6669 -148841.2463 299.8881 -183179.9132 -148745.3129 300.4120 -56.5755 -16.9509 558549.2663 14.7805 14.8190 PRESSURE: 2665800 -112.123 50.0862 -53.464 50.086 -85.0962 -41.8399 -53.4647 -41.8409 -157.513 GPRESSURE: 2665800 -111.012 12.3615 15.6776 61.4086 -39.968 64.8365 -128.51 -28.5138 -105.685 PRESSAVG: 2665800 77.0395 46.3043 -78.9968 46.3043 -57.1364 72.9099 -78.9968 72.9099 -33.1474 GPRESSAVG: 2665800 77.5966 46.7382 -78.6524 46.867 -58.3495 72.2558 -79.4824 75.1759 -32.5277 TIMING: 2665800 CPU: 7735.73, 0.00288983/step Wall: 7735.73, 0.00288983/step, 1.87374 hours remaining, 206.562500 MB of memory in use. ENERGY: 2665800 743.9513 2091.9277 1955.1266 129.9502 -206034.4934 17666.5670 0.0000 0.0000 34636.9000 -148810.0707 302.4927 -183446.9707 -148713.4858 300.5064 -118.2439 -85.5550 559117.7468 -4.4148 -4.4269 PRESSURE: 2666000 326.003 -43.0691 210.378 -43.0701 85.6117 149.284 210.379 149.283 95.3735 GPRESSURE: 2666000 383.333 4.47757 212.487 -47.7801 130.963 89.6443 200.542 153.05 75.0474 PRESSAVG: 2666000 13.6108 -26.7254 -35.7453 -26.7254 -52.6671 22.677 -35.7454 22.677 35.8471 GPRESSAVG: 2666000 12.9909 -25.7637 -34.4616 -26.5319 -51.0626 21.6755 -38.5686 21.9425 34.9971 TIMING: 2666000 CPU: 7736.31, 0.00288928/step Wall: 7736.31, 0.00288928/step, 1.87322 hours remaining, 206.820312 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: 2666000 742.7939 2103.6778 1970.4993 118.0559 -206110.0338 17973.0433 0.0000 0.0000 34158.9452 -149043.0184 298.3186 -183201.9637 -148944.4337 299.7361 168.9960 196.4475 558071.8851 -1.0697 -1.0249 PRESSURE: 2666200 -91.2214 3.72316 -165.457 3.72425 -204.302 -197.783 -165.456 -197.784 -215.119 GPRESSURE: 2666200 -58.3545 -8.22242 -173.925 38.0722 -167.079 -130.251 -196.11 -85.0101 -192.862 PRESSAVG: 2666200 -48.5091 13.5093 33.2838 13.5093 -5.47501 9.65901 33.2838 9.65897 50.5939 GPRESSAVG: 2666200 -48.4313 12.6519 33.1434 13.6819 -7.39992 10.6952 35.2257 7.49115 51.8141 TIMING: 2666200 CPU: 7736.88, 0.00288316/step Wall: 7736.88, 0.00288316/step, 1.86909 hours remaining, 206.820312 MB of memory in use. ENERGY: 2666200 719.1596 2124.1117 1959.5246 113.4277 -205756.5435 17411.8446 0.0000 0.0000 34406.5590 -149021.9164 300.4810 -183428.4754 -148917.2450 299.7392 -170.2142 -139.4319 557508.7739 -1.1301 -1.3390 PRESSURE: 2666400 -526.722 155.08 49.6256 155.079 -69.2313 47.6546 49.6261 47.6536 -172.414 GPRESSURE: 2666400 -411.098 147.746 87.3503 74.0087 -99.2672 21.1552 23.7463 -24.6012 -152.194 PRESSAVG: 2666400 -36.7484 4.50712 -18.2816 4.50716 -7.57863 -6.36073 -18.2817 -6.36069 9.16626 GPRESSAVG: 2666400 -36.0446 3.24925 -21.005 3.8672 -7.22729 -6.74174 -15.9397 -3.19942 9.0838 TIMING: 2666400 CPU: 7737.46, 0.00287643/step Wall: 7737.46, 0.00287643/step, 1.86456 hours remaining, 206.820312 MB of memory in use. ENERGY: 2666400 766.3467 2044.2357 1958.4172 101.2920 -205837.0017 17390.4198 0.0000 0.0000 34511.7973 -149064.4930 301.4001 -183576.2902 -148968.6612 299.7497 -256.1224 -220.8530 558164.7764 -11.7203 -11.3960 PRESSURE: 2666600 -166.109 11.7897 -36.7061 11.7901 -163.923 10.1381 -36.7072 10.1372 -130.062 GPRESSURE: 2666600 -115.707 19.75 -21.3582 -76.9459 -172.465 47.1638 -54.5874 14.3949 -84.7889 PRESSAVG: 2666600 -22.3493 50.9076 -11.8245 50.9076 -15.7051 -10.7204 -11.8245 -10.7205 46.3312 GPRESSAVG: 2666600 -23.1924 50.9828 -9.23477 51.6384 -14.2897 -10.8204 -11.9964 -12.2848 46.2331 TIMING: 2666600 CPU: 7738.04, 0.00287962/step Wall: 7738.04, 0.00287962/step, 1.86648 hours remaining, 206.820312 MB of memory in use. ENERGY: 2666600 740.4410 2067.9202 1942.2769 111.4994 -205886.6889 17508.3000 0.0000 0.0000 34373.5720 -149142.6794 300.1930 -183516.2514 -149038.2353 299.2883 -153.3647 -124.3201 557870.8571 2.7589 2.9170 PRESSURE: 2666800 -45.2357 45.3936 -63.5514 45.394 24.3301 -196.942 -63.5528 -196.942 108.872 GPRESSURE: 2666800 -70.3682 65.7007 -179.746 20.7026 39.3861 -129.613 -19.1721 -221.901 212.351 PRESSAVG: 2666800 -53.8012 -22.2142 32.2905 -22.2142 18.4622 -19.3584 32.2905 -19.3584 36.9915 GPRESSAVG: 2666800 -52.2019 -23.3657 30.969 -21.5539 17.7672 -19.1424 31.6012 -20.4185 35.8132 TIMING: 2666800 CPU: 7738.61, 0.00288998/step Wall: 7738.61, 0.00288998/step, 1.87303 hours remaining, 206.820312 MB of memory in use. ENERGY: 2666800 746.0434 2027.6065 1954.7600 116.2201 -205929.0150 17645.3900 0.0000 0.0000 34374.0602 -149064.9347 300.1972 -183438.9949 -148967.0618 299.1963 29.3223 60.4564 556441.3996 0.5508 0.4595 PRESSURE: 2667000 45.8834 -148.71 115.708 -148.711 170.537 117.749 115.708 117.75 296.008 GPRESSURE: 2667000 111.664 -81.9881 39.905 -184.151 257.769 80.012 197.04 57.061 244.589 PRESSAVG: 2667000 -22.1147 -5.58145 19.692 -5.58149 6.8876 -24.1816 19.692 -24.1815 8.67144 GPRESSAVG: 2667000 -24.4393 -3.72746 20.9662 -5.47386 9.72085 -24.0779 17.8914 -23.204 8.71093 TIMING: 2667000 CPU: 7739.19, 0.00287461/step Wall: 7739.19, 0.00287461/step, 1.86291 hours remaining, 206.820312 MB of memory in use. ENERGY: 2667000 771.1259 2008.4472 1956.3853 114.1591 -206246.0023 17948.9010 0.0000 0.0000 34367.7737 -149079.2101 300.1423 -183446.9838 -148982.1501 299.7222 170.8095 204.6737 556525.2983 -2.1852 -2.0025 PRESSURE: 2667200 220.139 34.9774 103.032 34.9769 286.834 79.4633 103.032 79.4621 -318.033 GPRESSURE: 2667200 296.235 96.5692 112.853 61.5255 329.764 73.2644 80.5641 103.569 -343.503 PRESSAVG: 2667200 27.4128 -13.8138 32.9404 -13.8138 5.9505 -22.621 32.9404 -22.621 -34.0555 GPRESSAVG: 2667200 28.2571 -13.5228 31.6382 -14.2252 4.51897 -24.3603 34.4319 -21.1051 -33.0283 TIMING: 2667200 CPU: 7739.76, 0.00287096/step Wall: 7739.76, 0.00287096/step, 1.86038 hours remaining, 206.820312 MB of memory in use. ENERGY: 2667200 733.9204 2086.0638 1943.9062 106.9822 -206153.0068 17855.4454 0.0000 0.0000 34318.8732 -149107.8155 299.7153 -183426.6887 -149013.2967 298.9215 62.9801 94.1654 558784.0524 -0.2307 -0.0841 PRESSURE: 2667400 -57.426 -40.8349 106.511 -40.836 -10.1881 -118.596 106.51 -118.597 -87.0289 GPRESSURE: 2667400 -32.8261 -27.7243 106.538 -78.6525 20.5658 -75.3958 165.625 -89.8367 -45.9556 PRESSAVG: 2667400 -4.68561 5.12507 39.4414 5.12511 9.48758 -22.2262 39.4414 -22.2261 -9.81256 GPRESSAVG: 2667400 -5.08021 5.74452 40.4989 3.58458 9.84112 -19.3618 40.3864 -23.7879 -9.90921 TIMING: 2667400 CPU: 7740.34, 0.00287324/step Wall: 7740.34, 0.00287324/step, 1.8617 hours remaining, 206.820312 MB of memory in use. ENERGY: 2667400 723.7018 2090.1096 1958.2944 115.3803 -206291.4515 17887.3631 0.0000 0.0000 34309.7779 -149206.8243 299.6358 -183516.6023 -149107.6009 299.2609 -51.5477 -19.4053 557622.1829 -1.6702 -1.7161 PRESSURE: 2667600 -155.512 -132.042 2.37974 -132.04 -101.992 53.1045 2.37992 53.1051 -72.57 GPRESSURE: 2667600 -81.6546 -199.109 -70.0658 -75.9842 -91.7627 97.5231 22.4424 37.5899 -48.6378 PRESSAVG: 2667600 -22.051 0.0553937 1.06216 0.0553803 53.7146 -48.5433 1.06208 -48.5434 -48.1539 GPRESSAVG: 2667600 -20.1707 -0.308501 0.175171 0.184049 52.1167 -50.2275 0.221134 -47.7457 -48.1106 TIMING: 2667600 CPU: 7740.91, 0.00287138/step Wall: 7740.91, 0.00287138/step, 1.86034 hours remaining, 206.820312 MB of memory in use. ENERGY: 2667600 714.4475 2024.9415 1967.7688 124.6964 -205559.5938 17432.8806 0.0000 0.0000 34131.3911 -149163.4677 298.0779 -183294.8588 -149070.0053 298.4610 -110.0245 -74.0184 557610.8077 -5.4968 -5.3882 PRESSURE: 2667800 101.817 -41.215 94.6356 -41.214 86.9788 -30.6091 94.6355 -30.6092 -325.487 GPRESSURE: 2667800 157.967 -129.603 -8.33793 -32.6948 145.37 81.842 144.193 -122.815 -341.202 PRESSAVG: 2667800 58.9787 7.38143 18.9209 7.38142 40.9846 20.3258 18.9209 20.3259 -79.7662 GPRESSAVG: 2667800 59.2973 6.36953 19.9344 9.55458 39.5933 21.0141 19.4607 18.2218 -78.7196 TIMING: 2667800 CPU: 7741.49, 0.0028716/step Wall: 7741.49, 0.0028716/step, 1.86032 hours remaining, 206.820312 MB of memory in use. ENERGY: 2667800 752.1503 2040.7906 1954.0227 105.3408 -206089.1093 17778.8407 0.0000 0.0000 34303.8942 -149154.0699 299.5844 -183457.9641 -149052.9972 299.2449 -45.5636 -12.6220 556820.4251 6.7324 6.7237 PRESSURE: 2668000 -348.232 -141.897 139.255 -141.899 -390.49 -18.4091 139.255 -18.4083 -118.451 GPRESSURE: 2668000 -364.992 -141.815 160.118 -121.689 -362.969 -34.376 107.091 -17.1037 -35.5296 PRESSAVG: 2668000 39.698 -41.1681 36.032 -41.1681 22.6238 -11.0956 36.0319 -11.0955 -52.3321 GPRESSAVG: 2668000 39.3917 -40.4268 34.0763 -41.7013 23.6923 -11.4088 34.7695 -9.20557 -53.0067 TIMING: 2668000 CPU: 7742.06, 0.00288158/step Wall: 7742.06, 0.00288158/step, 1.86662 hours remaining, 206.820312 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: 2668000 737.9584 2067.5271 1979.7081 112.7946 -205480.5964 17410.3331 0.0000 0.0000 34108.8806 -149063.3944 297.8813 -183172.2750 -148971.3623 299.2376 -285.7244 -254.4971 560005.3180 3.3299 3.3591 PRESSURE: 2668200 240.306 -84.7719 -140.474 -84.7715 -43.9492 -59.2877 -140.475 -59.2868 189.345 GPRESSURE: 2668200 277.492 -12.6633 -211.429 -122.881 -29.6152 -118.901 -184.473 5.39512 239.879 PRESSAVG: 2668200 0.610233 1.59883 12.2765 1.59885 1.76803 21.81 12.2765 21.81 2.14568 GPRESSAVG: 2668200 -0.61671 2.35909 13.5156 1.05501 3.39494 22.0974 12.5397 20.7216 2.02101 TIMING: 2668200 CPU: 7742.64, 0.00288794/step Wall: 7742.64, 0.00288794/step, 1.87058 hours remaining, 206.820312 MB of memory in use. ENERGY: 2668200 726.0892 2048.2689 1999.8948 120.7183 -206490.2203 18018.1604 0.0000 0.0000 34295.6097 -149281.4790 299.5121 -183577.0887 -149191.5913 299.0271 128.5673 162.5855 557435.8017 1.5080 1.5997 LDB: ============= START OF LOAD BALANCING ============== 7746.11 LDB: ============== END OF LOAD BALANCING =============== 7746.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7746.11 LDB: ============= START OF LOAD BALANCING ============== 7746.39 LDB: Largest compute 4821 load 0.031151 is 26.4% of average load 0.117941 LDB: Average compute 0.001720 is 1.5% of average load 0.117941 LDB: TIME 7746.4 LOAD: AVG 0.117941 MAX 0.181738 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.352 MB LDB: TIME 7746.4 LOAD: AVG 0.117941 MAX 0.181738 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: TIME 7746.4 LOAD: AVG 0.117941 MAX 0.181738 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.352 MB LDB: ============== END OF LOAD BALANCING =============== 7746.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7746.4 PRESSURE: 2668400 212.798 -6.00658 94.7353 -6.00667 -24.871 116.205 94.7357 116.204 -61.4146 GPRESSURE: 2668400 237.002 -34.3979 9.95729 -81.7427 11.0116 160.333 178.956 134.078 -9.69197 PRESSAVG: 2668400 -20.4276 51.1663 34.6726 51.1663 52.3299 42.1211 34.6725 42.121 -19.0298 GPRESSAVG: 2668400 -19.7046 49.0478 35.7127 49.8047 51.0635 41.8791 33.8968 42.8038 -18.5028 TIMING: 2668400 CPU: 7743.23, 0.00293639/step Wall: 7743.23, 0.00293639/step, 1.9018 hours remaining, 207.796875 MB of memory in use. ENERGY: 2668400 717.8167 2107.3865 1965.1502 117.0191 -206262.6589 17800.5733 0.0000 0.0000 34242.3519 -149312.3613 299.0470 -183554.7132 -149216.6203 298.4104 42.1706 79.4407 557609.4330 4.2908 4.2854 PRESSURE: 2668600 5.01919 150.964 -67.4823 150.964 239.465 15.4161 -67.4824 15.4158 -251.947 GPRESSURE: 2668600 95.3007 281.293 -92.771 110.127 203.422 67.2689 -145.808 -72.6863 -209.217 PRESSAVG: 2668600 -23.8201 23.8574 -44.0524 23.8574 23.4548 26.5336 -44.0524 26.5336 0.817143 GPRESSAVG: 2668600 -23.8632 25.7313 -46.161 24.2937 23.8925 27.8669 -44.2114 25.6191 0.801228 TIMING: 2668600 CPU: 7743.8, 0.00288069/step Wall: 7743.8, 0.00288069/step, 1.86557 hours remaining, 208.039062 MB of memory in use. ENERGY: 2668600 775.3751 2085.4865 1999.1105 117.8086 -206403.2831 17973.1129 0.0000 0.0000 34312.0120 -149140.3776 299.6553 -183452.3896 -149038.6528 298.5747 -2.4873 29.8354 557224.7387 0.1506 0.2768 PRESSURE: 2668800 -236.549 61.3777 -51.07 61.3782 -213.525 96.6401 -51.069 96.6389 -34.1059 GPRESSURE: 2668800 -210.751 167.412 15.9672 37.936 -160.501 176.318 -77.7206 55.5471 -25.1083 PRESSAVG: 2668800 -27.9986 9.60313 -30.9028 9.60309 62.4269 -45.628 -30.9029 -45.6281 -28.0923 GPRESSAVG: 2668800 -27.02 7.82622 -28.4191 11.3512 63.1739 -46.1037 -31.3085 -45.911 -29.7595 TIMING: 2668800 CPU: 7744.38, 0.00287794/step Wall: 7744.38, 0.00287794/step, 1.86363 hours remaining, 208.296875 MB of memory in use. ENERGY: 2668800 733.1392 2032.6103 1966.0966 110.0236 -206228.2141 17699.9314 0.0000 0.0000 34380.3805 -149306.0324 300.2524 -183686.4129 -149207.2990 299.2257 -161.3933 -132.1201 558366.8965 2.1120 2.1314 PRESSURE: 2669000 -171.48 114.626 -22.0475 114.624 -64.3684 -98.5459 -22.0481 -98.5468 138.28 GPRESSURE: 2669000 -139.483 89.7485 -46.8841 28.2054 -21.8938 -34.1484 -63.857 -144.293 167.63 PRESSAVG: 2669000 -11.194 -19.1949 -8.51033 -19.1949 8.69477 -34.8359 -8.51036 -34.8359 -11.5285 GPRESSAVG: 2669000 -12.9317 -18.8137 -10.2757 -20.4118 8.82241 -36.8518 -7.13276 -33.3549 -9.73253 TIMING: 2669000 CPU: 7744.95, 0.00286887/step Wall: 7744.95, 0.00286887/step, 1.85759 hours remaining, 208.296875 MB of memory in use. ENERGY: 2669000 739.2984 2074.3744 1983.8114 112.6735 -206562.9539 17948.9376 0.0000 0.0000 34237.7723 -149466.0863 299.0070 -183703.8586 -149377.7029 298.2621 -32.5226 2.0844 557573.8321 -4.6759 -4.6140 PRESSURE: 2669200 22.4089 19.6327 -74.1084 19.6325 -80.9679 -5.20087 -74.1077 -5.20232 -85.327 GPRESSURE: 2669200 51.3252 11.3417 -28.3279 -43.2375 -10.6169 20.9543 -65.7494 -59.0308 -81.6081 PRESSAVG: 2669200 51.8413 19.9018 5.18306 19.9018 -32.2862 -5.71168 5.1832 -5.71176 5.88806 GPRESSAVG: 2669200 52.2107 21.768 5.30164 19.8569 -32.4277 -4.32589 5.56319 -6.91555 5.61832 TIMING: 2669200 CPU: 7745.53, 0.0028763/step Wall: 7745.53, 0.0028763/step, 1.86224 hours remaining, 208.296875 MB of memory in use. ENERGY: 2669200 758.1457 2039.1789 1949.7972 98.2954 -206333.3255 17785.2135 0.0000 0.0000 34106.1720 -149596.5228 297.8577 -183702.6948 -149505.6456 298.1042 -47.9620 -13.6333 555684.1410 8.4811 8.4671 PRESSURE: 2669400 187.276 5.33743 -21.0387 5.33797 97.6946 -19.8316 -21.0379 -19.8316 -284.787 GPRESSURE: 2669400 261.083 6.89142 86.5029 84.4766 81.0758 31.0305 -41.9757 -102.898 -241.088 PRESSAVG: 2669400 -12.4975 -14.9464 5.45219 -14.9464 54.0682 26.5735 5.45214 26.5735 -37.9511 GPRESSAVG: 2669400 -11.1568 -15.2446 6.14918 -14.7092 53.663 25.5118 5.60824 27.1025 -39.076 TIMING: 2669400 CPU: 7746.1, 0.00287406/step Wall: 7746.1, 0.00287406/step, 1.86063 hours remaining, 208.296875 MB of memory in use. ENERGY: 2669400 750.6003 2068.1742 1957.1769 110.9726 -206764.3835 17861.2440 0.0000 0.0000 34338.8364 -149677.3791 299.8896 -184016.2156 -149578.4450 297.8696 0.0613 33.6903 554844.0810 1.2065 1.1434 PRESSURE: 2669600 -64.6269 2.09669 -11.5689 2.0975 -119.78 -115.824 -11.5685 -115.825 -141.426 GPRESSURE: 2669600 -38.9282 15.4857 15.7107 -15.0792 -73.213 -178.435 -49.8877 -157.659 -126.906 PRESSAVG: 2669600 3.01847 -55.2944 -8.34521 -55.2944 -31.3441 -19.3177 -8.34527 -19.3177 43.8417 GPRESSAVG: 2669600 3.09369 -57.2482 -8.20655 -53.2199 -32.265 -19.5412 -9.75248 -19.9649 45.2728 TIMING: 2669600 CPU: 7746.68, 0.00288247/step Wall: 7746.68, 0.00288247/step, 1.86592 hours remaining, 208.296875 MB of memory in use. ENERGY: 2669600 753.5978 2052.3894 1957.6129 112.3501 -206212.6696 17692.0778 0.0000 0.0000 34213.7506 -149430.8909 298.7972 -183644.6416 -149333.0202 298.2538 -108.6110 -79.6824 557896.6151 5.1720 5.3672 PRESSURE: 2669800 -17.6864 -53.3106 -136.214 -53.3103 -133.012 -69.2652 -136.215 -69.2639 -124.645 GPRESSURE: 2669800 -25.3591 -43.5741 -152.377 -122.592 -62.5234 -131.379 -207.116 -25.1352 -84.6499 PRESSAVG: 2669800 -5.58009 15.7546 25.1381 15.7546 -23.3562 -20.4763 25.138 -20.4762 2.38608 GPRESSAVG: 2669800 -6.69257 16.4785 25.008 13.1724 -21.9643 -19.9773 26.1445 -18.8096 1.31862 TIMING: 2669800 CPU: 7747.25, 0.00287191/step Wall: 7747.25, 0.00287191/step, 1.85892 hours remaining, 208.296875 MB of memory in use. ENERGY: 2669800 783.5421 2069.2855 1962.2606 105.1208 -206441.9372 17894.6591 0.0000 0.0000 34259.0622 -149368.0068 299.1929 -183627.0690 -149273.6143 298.2634 -91.7810 -57.5108 556263.5727 -8.8501 -9.1128 PRESSURE: 2670000 -135.266 81.0254 -163.338 81.0243 -89.1173 12.9461 -163.337 12.9479 233.16 GPRESSURE: 2670000 -59.6926 63.3974 -130.293 101.491 -8.14866 -39.0266 -142.643 86.3667 169.493 PRESSAVG: 2670000 4.55192 -17.4203 -34.0085 -17.4202 54.2307 -17.4877 -34.0084 -17.4876 2.6322 GPRESSAVG: 2670000 5.35808 -16.3424 -36.5769 -16.8338 53.194 -17.434 -32.0467 -17.8123 2.52604 TIMING: 2670000 CPU: 7747.83, 0.00287404/step Wall: 7747.83, 0.00287404/step, 1.86014 hours remaining, 208.296875 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: 2670000 714.5868 2101.8515 1980.6324 108.5486 -206006.6206 17676.3564 0.0000 0.0000 34291.4472 -149133.1978 299.4757 -183424.6450 -149034.2694 299.4508 2.9257 33.8839 555676.3197 20.4716 20.3594 PRESSURE: 2670200 -173.425 118.735 -94.6512 118.735 -141.215 -8.08743 -94.6509 -8.08699 52.7636 GPRESSURE: 2670200 -155.923 167.74 -69.8747 93.4848 -77.8994 -88.3193 -109.938 28.1461 61.1586 PRESSAVG: 2670200 -46.6294 46.08 42.268 46.0799 -33.5698 20.7167 42.2679 20.7167 44.5581 GPRESSAVG: 2670200 -46.5783 45.955 45.8929 47.0488 -33.6507 21.82 38.9928 17.922 44.5715 TIMING: 2670200 CPU: 7748.41, 0.00288385/step Wall: 7748.41, 0.00288385/step, 1.86633 hours remaining, 208.296875 MB of memory in use. ENERGY: 2670200 756.0581 2117.3912 1951.7960 112.6353 -206039.6815 17701.6923 0.0000 0.0000 34257.0520 -149143.0566 299.1754 -183400.1086 -149037.3627 299.6351 -87.2922 -57.5544 556713.3325 -11.8804 -11.8858 PRESSURE: 2670400 -127.021 -24.253 -153.672 -24.2534 -100.22 7.09584 -153.674 7.09595 47.1307 GPRESSURE: 2670400 -106.718 -48.3434 -188.26 -3.07264 -60.0128 -20.8337 -177.812 23.7598 91.4926 PRESSAVG: 2670400 -41.3703 -27.7568 10.5043 -27.7568 23.7651 -56.9997 10.5043 -56.9997 25.9653 GPRESSAVG: 2670400 -42.4347 -28.4964 10.8275 -27.7419 24.7239 -59.0149 10.2228 -53.5172 25.6998 TIMING: 2670400 CPU: 7748.98, 0.00288768/step Wall: 7748.98, 0.00288768/step, 1.86865 hours remaining, 208.296875 MB of memory in use. ENERGY: 2670400 750.6922 2142.7944 1989.5077 124.4288 -206055.8392 17612.0339 0.0000 0.0000 34397.4625 -149038.9197 300.4016 -183436.3822 -148951.4756 299.3784 -60.0371 -25.0793 558061.7074 2.7867 2.6630 PRESSURE: 2670600 143.096 49.8361 -30.6586 49.8356 -31.0511 116.156 -30.6574 116.155 -204.573 GPRESSURE: 2670600 166.588 96.0456 -32.205 -118.324 22.7926 -0.119549 -53.0397 124.07 -186.8 PRESSAVG: 2670600 35.6304 15.6592 4.39204 15.6592 -37.8567 48.2688 4.39198 48.2688 6.86761 GPRESSAVG: 2670600 35.5803 14.5105 3.92572 14.0163 -39.0357 49.2406 6.69042 47.5843 7.39733 TIMING: 2670600 CPU: 7749.56, 0.00289147/step Wall: 7749.56, 0.00289147/step, 1.87094 hours remaining, 208.296875 MB of memory in use. ENERGY: 2670600 724.6215 2101.7250 1952.7205 118.2614 -205820.0721 17607.3262 0.0000 0.0000 34388.0747 -148927.3428 300.3196 -183315.4175 -148834.4664 299.5410 -30.8426 0.8602 557010.5744 1.5471 1.3140 PRESSURE: 2670800 -1.96443 -63.5102 67.2493 -63.51 325.485 84.4231 67.2482 84.423 240.117 GPRESSURE: 2670800 48.4485 -132.409 44.2704 -65.1732 292.798 11.1631 93.6512 67.2253 327.44 PRESSAVG: 2670800 2.03154 -26.4796 -36.0007 -26.4796 21.7807 -19.081 -36.0007 -19.0811 19.302 GPRESSAVG: 2670800 2.34909 -25.6402 -35.9639 -24.2634 22.3839 -18.9691 -38.5245 -18.0219 18.6192 TIMING: 2670800 CPU: 7750.14, 0.00288714/step Wall: 7750.14, 0.00288714/step, 1.86798 hours remaining, 208.296875 MB of memory in use. ENERGY: 2670800 725.0810 2082.6160 1971.9774 109.3359 -206208.0152 18016.9327 0.0000 0.0000 34419.6499 -148882.4223 300.5954 -183302.0722 -148792.6395 300.7177 187.8792 222.8952 556960.8971 14.3714 14.4507 PRESSURE: 2671000 62.6768 -45.16 -88.4345 -45.1598 -107.62 -11.9347 -88.4362 -11.9343 50.7787 GPRESSURE: 2671000 98.6267 -90.1783 -16.9193 75.3978 -97.4181 -0.751168 -84.3334 -12.6504 98.615 PRESSAVG: 2671000 -0.294763 20.412 -19.908 20.4121 -40.2175 13.8856 -19.9081 13.8855 61.9859 GPRESSAVG: 2671000 0.0561421 18.9099 -19.5151 20.6479 -41.3007 13.7851 -19.3314 11.3974 61.7549 TIMING: 2671000 CPU: 7750.72, 0.00289097/step Wall: 7750.72, 0.00289097/step, 1.8703 hours remaining, 208.296875 MB of memory in use. ENERGY: 2671000 722.6773 2082.1679 1985.4645 117.6951 -205967.4186 17769.5889 0.0000 0.0000 34487.7186 -148802.1064 301.1898 -183289.8250 -148709.4808 300.0062 1.9451 33.2745 557361.2629 7.1579 6.8368 PRESSURE: 2671200 34.4969 -43.841 -58.4968 -43.8402 126.636 51.6471 -58.4975 51.6472 -7.08129 GPRESSURE: 2671200 66.9597 -49.6683 -26.9546 -110.59 173.599 -36.4494 -105.481 126.213 4.99443 PRESSAVG: 2671200 -100.489 -3.90765 -44.5504 -3.90775 49.5782 23.6081 -44.5505 23.6081 48.2386 GPRESSAVG: 2671200 -100.574 -4.15632 -46.9638 -3.08095 49.7649 24.9988 -43.7858 24.4895 48.4619 TIMING: 2671200 CPU: 7751.3, 0.00289007/step Wall: 7751.3, 0.00289007/step, 1.86956 hours remaining, 208.296875 MB of memory in use. ENERGY: 2671200 748.7891 2085.5324 1963.8985 115.9875 -205836.7467 17781.5082 0.0000 0.0000 34347.3120 -148793.7189 299.9636 -183141.0309 -148700.3769 299.9796 51.3507 81.8512 556679.7126 -0.8908 -0.7826 PRESSURE: 2671400 -146.521 45.9463 -65.4307 45.9449 -77.9332 188.652 -65.431 188.652 199.821 GPRESSURE: 2671400 -83.6779 26.7492 -95.9202 27.7755 -43.4947 112.373 -14.8473 192.309 217.182 PRESSAVG: 2671400 9.08732 50.1057 9.72523 50.1058 -17.3316 41.9681 9.72528 41.9682 6.41062 GPRESSAVG: 2671400 8.90245 51.1399 8.85155 47.8476 -17.4655 41.2881 10.9196 42.504 6.44514 TIMING: 2671400 CPU: 7751.87, 0.0028979/step Wall: 7751.87, 0.0028979/step, 1.87446 hours remaining, 208.296875 MB of memory in use. ENERGY: 2671400 731.1706 2126.7090 1963.9815 108.7453 -205685.5715 17706.9200 0.0000 0.0000 34112.0635 -148935.9817 297.9091 -183048.0452 -148848.9562 299.6652 -8.2112 30.0033 557708.0622 -0.6112 -0.7060 PRESSURE: 2671600 -178.468 90.7454 -53.4959 90.7443 -7.62666 77.7049 -53.4964 77.7056 192.483 GPRESSURE: 2671600 -179.095 78.6964 -6.61227 43.221 36.9323 44.5349 -124.801 60.304 233.347 PRESSAVG: 2671600 -9.33949 25.556 2.70596 25.556 -32.4926 29.3698 2.70592 29.3699 43.7782 GPRESSAVG: 2671600 -8.67103 25.615 4.16528 27.2507 -33.6951 32.4009 0.725899 27.3119 44.361 TIMING: 2671600 CPU: 7752.45, 0.00288804/step Wall: 7752.45, 0.00288804/step, 1.86792 hours remaining, 208.296875 MB of memory in use. ENERGY: 2671600 735.3005 2116.9934 1968.3130 111.2290 -205973.9779 17801.8096 0.0000 0.0000 34394.5009 -148845.8315 300.3757 -183240.3324 -148745.1005 299.5169 2.1295 30.3947 557668.0232 0.6487 0.6649 PRESSURE: 2671800 -5.45664 159.49 -10.8829 159.49 199.025 5.23158 -10.8825 5.23129 -158.588 GPRESSURE: 2671800 26.8438 114.472 7.96799 191.232 233.373 -3.7684 -57.9375 -27.0374 -125.2 PRESSAVG: 2671800 59.163 50.7129 18.2396 50.7129 -5.55554 6.77012 18.2396 6.77011 -48.9105 GPRESSAVG: 2671800 59.2158 50.742 18.0586 48.6553 -5.09276 5.01878 18.9005 8.0049 -49.9172 TIMING: 2671800 CPU: 7753.03, 0.00287228/step Wall: 7753.03, 0.00287228/step, 1.85757 hours remaining, 208.296875 MB of memory in use. ENERGY: 2671800 752.1134 2079.4839 1976.4474 113.0515 -205947.2822 17775.4930 0.0000 0.0000 34323.7836 -148926.9095 299.7581 -183250.6932 -148830.2223 299.6843 11.6600 45.0056 556642.3273 1.5657 1.4019 PRESSURE: 2672000 -27.8924 46.3156 -25.8549 46.316 -106.881 210.484 -25.8559 210.485 -59.2323 GPRESSURE: 2672000 4.15729 66.3789 -9.18411 57.8943 -51.762 182.889 -83.6084 95.2491 -35.997 PRESSAVG: 2672000 32.9926 36.0483 8.33788 36.0483 62.0276 -3.72645 8.33788 -3.72633 -87.3528 GPRESSAVG: 2672000 32.868 35.4224 7.21311 36.5358 62.2122 -6.38482 9.02498 -3.22817 -86.7242 TIMING: 2672000 CPU: 7753.6, 0.00288737/step Wall: 7753.6, 0.00288737/step, 1.86717 hours remaining, 208.296875 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: 2672000 712.8479 2144.4688 1959.7148 105.0183 -205963.5055 17769.0880 0.0000 0.0000 34146.4669 -149125.9008 298.2096 -183272.3677 -149024.5619 299.6464 -64.6687 -27.8672 559715.5273 2.5558 2.7853 PRESSURE: 2672200 -14.8928 -168.394 184.607 -168.395 -12.6319 13.735 184.607 13.7355 88.3389 GPRESSURE: 2672200 1.88917 -221.583 182.252 -84.9034 27.0825 46.9261 193.08 -65.3458 134.311 PRESSAVG: 2672200 -33.0757 -29.8431 29.1559 -29.8432 90.5713 48.6724 29.1559 48.6723 -37.9887 GPRESSAVG: 2672200 -33.8219 -30.5523 30.3073 -29.0984 91.9506 52.4123 27.9894 47.2353 -38.4008 TIMING: 2672200 CPU: 7754.18, 0.0028843/step Wall: 7754.18, 0.0028843/step, 1.86502 hours remaining, 208.296875 MB of memory in use. ENERGY: 2672200 760.7742 2072.4346 1984.2513 115.2119 -206185.2214 17862.3393 0.0000 0.0000 34217.1434 -149173.0667 298.8268 -183390.2101 -149070.4572 298.9656 20.2714 54.4275 557498.1341 6.5023 6.5760 LDB: ============= START OF LOAD BALANCING ============== 7757.64 LDB: ============== END OF LOAD BALANCING =============== 7757.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7757.65 LDB: ============= START OF LOAD BALANCING ============== 7757.94 LDB: Largest compute 4821 load 0.029162 is 24.8% of average load 0.117663 LDB: Average compute 0.001724 is 1.5% of average load 0.117663 LDB: TIME 7757.94 LOAD: AVG 0.117663 MAX 0.178649 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.805 MB LDB: TIME 7757.94 LOAD: AVG 0.117663 MAX 0.178649 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: TIME 7757.94 LOAD: AVG 0.117663 MAX 0.178649 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.805 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7757.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7757.94 PRESSURE: 2672400 -128.723 31.3968 -11.6039 31.3958 -109.358 7.05239 -11.6041 7.05345 93.991 GPRESSURE: 2672400 -59.5877 -7.02038 -83.8941 71.4566 -89.6954 -0.30606 -67.5334 23.0725 89.1394 PRESSAVG: 2672400 36.9851 -65.4143 10.9965 -65.4143 -16.746 49.3613 10.9964 49.3613 6.25887 GPRESSAVG: 2672400 36.8789 -64.6544 11.6174 -66.5068 -16.8772 47.7487 11.5243 50.6821 6.68424 TIMING: 2672400 CPU: 7754.77, 0.00294188/step Wall: 7754.77, 0.00294188/step, 1.90209 hours remaining, 206.289062 MB of memory in use. ENERGY: 2672400 737.7212 2085.4764 1966.5361 114.9386 -205987.6734 17727.3130 0.0000 0.0000 34295.4661 -149060.2220 299.5108 -183355.6882 -148956.1402 299.4985 -48.0299 -20.0479 557370.2175 8.8327 8.8953 PRESSURE: 2672600 47.4405 -12.9907 -108.368 -12.99 245.662 55.9579 -108.369 55.9587 118.786 GPRESSURE: 2672600 50.7698 1.21212 -52.4193 -32.0737 274.076 62.1945 -126.756 -22.0671 160.795 PRESSAVG: 2672600 -6.05968 33.133 -26.7066 33.1331 -41.6288 22.6774 -26.7065 22.6774 15.7306 GPRESSAVG: 2672600 -6.93945 34.283 -26.9433 34.6587 -41.9442 22.302 -24.7012 22.4247 17.1824 TIMING: 2672600 CPU: 7755.35, 0.00290958/step Wall: 7755.35, 0.00290958/step, 1.88104 hours remaining, 206.546875 MB of memory in use. ENERGY: 2672600 726.8928 2155.5657 1951.1224 106.0057 -206638.3752 18149.7095 0.0000 0.0000 34428.5638 -149120.5154 300.6732 -183549.0791 -149026.1633 300.0192 137.2963 161.8802 556559.4603 -10.6526 -10.5671 PRESSURE: 2672800 -156.378 -73.849 -86.8139 -73.8498 135.886 103.169 -86.8151 103.169 -38.2603 GPRESSURE: 2672800 -113.489 12.9736 -81.4705 -67.5819 107.792 125.312 -38.9537 58.2254 52.3686 PRESSAVG: 2672800 -36.4157 -29.8891 -25.6253 -29.8892 10.0026 4.56648 -25.6252 4.56657 18.8899 GPRESSAVG: 2672800 -34.6262 -29.0747 -27.0558 -31.565 8.68634 5.58688 -27.8676 5.09637 18.2296 TIMING: 2672800 CPU: 7755.93, 0.00289514/step Wall: 7755.93, 0.00289514/step, 1.87155 hours remaining, 206.546875 MB of memory in use. ENERGY: 2672800 740.8944 2103.2331 1990.0976 119.5911 -206084.2821 17798.0486 0.0000 0.0000 34294.5436 -149037.8737 299.5028 -183332.4174 -148943.8174 300.0336 -19.5841 15.5572 558336.3716 -2.5077 -2.5701 PRESSURE: 2673000 2.57018 -201.205 -42.6501 -201.205 -155.219 70.0212 -42.6518 70.0192 108.801 GPRESSURE: 2673000 11.6155 -160.568 -7.98246 -180.98 -162.985 155.905 -5.47286 -6.56664 208.56 PRESSAVG: 2673000 3.58156 -41.1975 -37.174 -41.1975 -25.2279 22.5363 -37.174 22.5364 18.2823 GPRESSAVG: 2673000 3.99235 -43.9929 -36.3259 -38.713 -25.3804 22.1132 -37.4057 22.8968 17.9505 TIMING: 2673000 CPU: 7756.51, 0.00288211/step Wall: 7756.51, 0.00288211/step, 1.86297 hours remaining, 206.546875 MB of memory in use. ENERGY: 2673000 735.1720 2134.3714 1959.8496 116.0146 -206071.6250 17714.7021 0.0000 0.0000 34158.5515 -149252.9639 298.3151 -183411.5154 -149162.8249 299.3882 -14.6160 19.0635 556927.1524 -1.1213 -1.1459 PRESSURE: 2673200 50.0434 -45.8425 39.2617 -45.8424 -164.855 40.1171 39.2603 40.1159 -58.9456 GPRESSURE: 2673200 71.1611 13.4553 64.7417 -134.744 -125.225 18.9379 22.3367 115.935 -23.4568 PRESSAVG: 2673200 -45.727 18.8927 -30.692 18.8927 -19.0971 54.548 -30.692 54.548 54.1709 GPRESSAVG: 2673200 -45.4432 20.9482 -29.7798 17.421 -19.1393 54.9269 -31.3277 53.752 54.208 TIMING: 2673200 CPU: 7757.08, 0.00288584/step Wall: 7757.08, 0.00288584/step, 1.86521 hours remaining, 206.546875 MB of memory in use. ENERGY: 2673200 751.7566 2059.1204 1941.1067 115.2046 -205900.0524 17580.9424 0.0000 0.0000 34060.8348 -149391.0868 297.4617 -183451.9217 -149296.3411 298.4145 -57.9191 -25.8404 556505.5614 -3.5511 -3.4582 PRESSURE: 2673400 -166.85 -34.6586 -52.6782 -34.6585 37.6083 31.4124 -52.6782 31.4118 -4.89236 GPRESSURE: 2673400 -95.2891 -21.9714 -39.0662 -71.3557 38.5628 31.1209 -79.0531 15.7722 8.37748 PRESSAVG: 2673400 36.0751 -5.72637 13.3052 -5.72632 41.8039 27.695 13.3053 27.695 -19.8488 GPRESSAVG: 2673400 35.8055 -5.68 12.7792 -7.36383 43.2906 27.0285 13.9762 28.5563 -21.117 TIMING: 2673400 CPU: 7757.66, 0.0028964/step Wall: 7757.66, 0.0028964/step, 1.87188 hours remaining, 206.621094 MB of memory in use. ENERGY: 2673400 744.2944 2101.2209 1991.1479 109.3057 -206276.8288 17703.8110 0.0000 0.0000 34391.4144 -149235.6345 300.3488 -183627.0489 -149141.5027 298.7927 -44.7112 -16.1163 557357.4623 19.3434 19.3264 PRESSURE: 2673600 -22.3359 1.90021 3.57102 1.90109 -201.645 79.8302 3.57202 79.8285 -173.799 GPRESSURE: 2673600 24.6787 -32.8719 -7.05245 37.0331 -202.125 162.082 11.0372 28.3263 -132.363 PRESSAVG: 2673600 -71.1171 -3.39369 84.5594 -3.39366 47.7954 33.7533 84.5594 33.7533 20.8798 GPRESSAVG: 2673600 -71.7094 -3.51266 86.0567 -1.57136 47.8736 34.5986 82.6292 34.3049 21.343 TIMING: 2673600 CPU: 7758.24, 0.00288216/step Wall: 7758.24, 0.00288216/step, 1.86251 hours remaining, 206.621094 MB of memory in use. ENERGY: 2673600 768.3401 2098.9666 1973.6842 89.0946 -206245.2064 17844.8659 0.0000 0.0000 34303.9043 -149166.3507 299.5845 -183470.2551 -149069.2099 299.3598 -132.5934 -103.2699 557910.4034 -0.8140 -0.8310 PRESSURE: 2673800 30.4995 -104.609 97.765 -104.61 -103.489 33.098 97.764 33.0973 17.228 GPRESSURE: 2673800 43.5588 -100.026 61.244 -100.996 -75.3388 -43.3878 84.9968 76.9315 72.5783 PRESSAVG: 2673800 -8.93516 -26.7959 -29.9887 -26.7959 -23.5426 0.774288 -29.9887 0.774336 15.3966 GPRESSAVG: 2673800 -7.76978 -28.2813 -32.7499 -26.4422 -24.3982 -1.00106 -26.8597 1.41422 15.4943 TIMING: 2673800 CPU: 7758.82, 0.00290062/step Wall: 7758.82, 0.00290062/step, 1.87429 hours remaining, 206.621094 MB of memory in use. ENERGY: 2673800 709.3279 2134.7342 1980.7325 117.3830 -205843.6919 17573.5813 0.0000 0.0000 34252.3679 -149075.5652 299.1344 -183327.9330 -148981.3924 300.0314 -18.5873 13.5995 557245.3026 -5.6937 -5.5579 PRESSURE: 2674000 147.222 -81.1203 9.10745 -81.1195 173.664 57.1579 9.10688 57.1576 133.705 GPRESSURE: 2674000 250.268 -40.6769 141.793 -96.0342 201.89 33.6733 -30.4406 57.3674 116.15 PRESSAVG: 2674000 -33.4543 -16.6377 18.0299 -16.6377 42.3812 57.0372 18.0299 57.0371 12.6026 GPRESSAVG: 2674000 -33.253 -15.1817 19.319 -17.0884 42.0601 56.5834 14.5605 54.3727 12.6665 TIMING: 2674000 CPU: 7759.39, 0.00287355/step Wall: 7759.39, 0.00287355/step, 1.85663 hours remaining, 206.621094 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: 2674000 746.8594 2094.1825 1950.2908 120.8251 -206481.1934 18054.4393 0.0000 0.0000 34473.8338 -149040.7626 301.0686 -183514.5964 -148944.5850 299.8421 151.5304 189.4361 556155.2207 7.1765 7.1578 PRESSURE: 2674200 -138.284 -43.4383 -20.4993 -43.4375 -49.3631 119.86 -20.4989 119.862 -183.518 GPRESSURE: 2674200 -94.5266 -77.1019 17.5008 -90.6364 -51.7096 65.0308 -47.6889 92.3273 -108.238 PRESSAVG: 2674200 -62.537 -53.1872 -3.18045 -53.1873 32.8058 23.3344 -3.18038 23.3344 17.9267 GPRESSAVG: 2674200 -62.5342 -53.5756 -2.97866 -53.3257 32.9398 23.2649 -1.16922 24.7024 17.9994 TIMING: 2674200 CPU: 7759.97, 0.00289808/step Wall: 7759.97, 0.00289808/step, 1.87232 hours remaining, 206.621094 MB of memory in use. ENERGY: 2674200 721.5389 2132.4452 1969.0166 114.1188 -205805.7020 17646.7981 0.0000 0.0000 34365.0925 -148856.6918 300.1189 -183221.7843 -148760.0914 300.0901 -123.7217 -84.8247 557934.5294 -3.9349 -3.8650 PRESSURE: 2674400 -169.083 -86.0096 158.638 -86.0099 -98.3495 153.813 158.638 153.813 -197.151 GPRESSURE: 2674400 -177.838 -31.2037 227.413 -75.427 -52.1406 145.469 140.019 58.2359 -133.418 PRESSAVG: 2674400 -33.6243 -28.7609 5.84789 -28.7609 -3.67186 7.70334 5.84783 7.70333 44.1106 GPRESSAVG: 2674400 -34.4796 -28.9911 7.76417 -29.3216 -2.57455 6.64676 4.51164 8.54566 43.6274 TIMING: 2674400 CPU: 7760.55, 0.00288965/step Wall: 7760.55, 0.00288965/step, 1.86671 hours remaining, 206.621094 MB of memory in use. ENERGY: 2674400 759.5844 2086.3307 1978.9953 107.5886 -205513.6143 17552.8388 0.0000 0.0000 34188.5644 -148839.7121 298.5772 -183028.2765 -148739.4556 300.8573 -154.8610 -121.1320 559012.5385 2.2715 2.1911 PRESSURE: 2674600 -145.545 -33.8153 -27.0235 -33.8154 -67.5823 84.6599 -27.0238 84.6592 -138.51 GPRESSURE: 2674600 -117.504 -23.818 -73.0704 39.5659 -2.30526 109.692 28.2977 107.498 -130.904 PRESSAVG: 2674600 -13.2836 18.0603 -23.7273 18.0604 6.99419 -1.60188 -23.7273 -1.60184 13.7381 GPRESSAVG: 2674600 -12.6645 17.9205 -27.7706 20.2558 6.1674 1.05001 -22.4467 -3.39315 13.9598 TIMING: 2674600 CPU: 7761.13, 0.00288566/step Wall: 7761.13, 0.00288566/step, 1.86398 hours remaining, 206.621094 MB of memory in use. ENERGY: 2674600 733.6211 2100.7482 1969.7542 116.3196 -206134.2116 17741.1303 0.0000 0.0000 34510.6188 -148962.0193 301.3898 -183472.6381 -148860.7150 300.5432 -117.2124 -83.5711 558837.8293 2.4829 2.4876 PRESSURE: 2674800 24.8891 -2.85651 60.1494 -2.85554 -49.6917 -18.4838 60.1498 -18.4836 -186.234 GPRESSURE: 2674800 110.562 26.703 178.425 -34.4588 -46.0936 122.361 -20.7426 -141.765 -173.692 PRESSAVG: 2674800 -50.2875 43.4034 2.89793 43.4033 -1.0764 24.7038 2.89792 24.7038 25.0927 GPRESSAVG: 2674800 -50.515 43.584 4.51472 41.1903 -0.849368 22.1667 3.15838 27.5689 25.3552 TIMING: 2674800 CPU: 7761.7, 0.00287287/step Wall: 7761.7, 0.00287287/step, 1.85555 hours remaining, 206.621094 MB of memory in use. ENERGY: 2674800 732.9704 2061.2899 1970.0128 119.5404 -205828.1183 17577.0803 0.0000 0.0000 34298.9561 -149068.2685 299.5413 -183367.2246 -148975.6723 300.0489 -70.3456 -36.4076 558982.6705 -8.7571 -8.6697 PRESSURE: 2675000 -22.0069 63.4128 -173.695 63.4119 -184.67 -96.9138 -173.696 -96.9136 2.62378 GPRESSURE: 2675000 -38.6597 102.115 -175.198 -15.5488 -121.615 -65.4629 -174.248 -131.045 40.4975 PRESSAVG: 2675000 -44.6226 -6.26459 -50.1808 -6.26462 44.3657 16.5064 -50.1808 16.5064 24.9512 GPRESSAVG: 2675000 -44.8481 -4.51818 -50.3477 -7.6904 44.0437 18.4693 -49.324 14.9378 25.4663 TIMING: 2675000 CPU: 7762.29, 0.00290892/step Wall: 7762.29, 0.00290892/step, 1.87868 hours remaining, 206.792969 MB of memory in use. ENERGY: 2675000 775.6515 2044.8419 2002.7981 111.4171 -206234.2639 17869.8829 0.0000 0.0000 34288.9453 -149140.7271 299.4539 -183429.6724 -149042.2396 299.9322 -68.0175 -39.9257 557881.7201 8.2314 8.2206 PRESSURE: 2675200 130.299 90.7651 69.5562 90.7639 21.7469 76.7377 69.5562 76.7381 -45.7148 GPRESSURE: 2675200 141.625 54.7208 88.4713 82.1829 59.5407 56.8261 82.6497 48.5197 -8.61176 PRESSAVG: 2675200 -86.0927 62.9253 -3.88659 62.9252 23.7399 -3.6354 -3.88653 -3.63548 66.105 GPRESSAVG: 2675200 -86.5514 62.1766 -4.6181 65.0535 24.5849 -1.89602 -3.58996 -4.63925 66.0041 TIMING: 2675200 CPU: 7762.87, 0.00291502/step Wall: 7762.87, 0.00291502/step, 1.88245 hours remaining, 206.792969 MB of memory in use. ENERGY: 2675200 760.4841 2102.0519 1958.8205 107.4281 -206154.4550 17861.5757 0.0000 0.0000 34313.8290 -149050.2657 299.6712 -183364.0947 -148953.5819 299.3334 35.4435 64.1848 559199.5590 1.2507 1.3459 PRESSURE: 2675400 -60.0705 -17.4271 49.7438 -17.4259 190.377 56.1559 49.7441 56.1555 29.3262 GPRESSURE: 2675400 34.8186 -30.2604 13.7685 20.8178 176.543 110.137 44.7348 25.3703 43.1047 PRESSAVG: 2675400 -52.4401 3.50304 13.7903 3.50313 59.0875 61.4453 13.7903 61.4453 -14.5691 GPRESSAVG: 2675400 -51.3283 3.35253 15.0588 4.04624 58.6604 58.9415 12.2545 62.9676 -14.9441 TIMING: 2675400 CPU: 7763.44, 0.0028799/step Wall: 7763.44, 0.0028799/step, 1.85962 hours remaining, 206.792969 MB of memory in use. ENERGY: 2675400 730.2724 2115.3929 1982.5852 100.3505 -205950.6175 17842.4959 0.0000 0.0000 34286.0814 -148893.4392 299.4289 -183179.5206 -148804.0952 299.7282 53.2110 84.8222 557494.4038 -2.6406 -2.5373 PRESSURE: 2675600 -142.072 -14.1198 -66.4118 -14.1192 51.012 2.27583 -66.4116 2.27591 -160.145 GPRESSURE: 2675600 -141.455 -64.1285 -135.077 32.2183 79.1539 -44.3385 -77.9138 -19.7551 -96.5805 PRESSAVG: 2675600 6.18915 2.59226 -70.2698 2.59233 -62.6607 17.5276 -70.2699 17.5275 88.2627 GPRESSAVG: 2675600 5.66614 0.903146 -70.7618 3.558 -63.4006 16.9188 -72.0315 17.0942 89.665 TIMING: 2675600 CPU: 7764.02, 0.00289219/step Wall: 7764.02, 0.00289219/step, 1.86739 hours remaining, 206.792969 MB of memory in use. ENERGY: 2675600 751.3628 2152.9308 1963.5999 117.5463 -205821.3052 17710.9852 0.0000 0.0000 34238.6329 -148886.2473 299.0145 -183124.8802 -148795.6843 299.9380 -83.7351 -52.9607 560256.8426 10.5971 10.6435 PRESSURE: 2675800 -237.893 90.3032 -76.0258 90.3044 -223.065 14.2841 -76.0264 14.2841 -3.8044 GPRESSURE: 2675800 -215.428 25.4315 -104.034 188.989 -202.559 -47.5139 -19.1541 50.9186 54.4503 PRESSAVG: 2675800 -39.121 36.587 -39.9768 36.587 -58.4259 -10.662 -39.9768 -10.6619 91.4435 GPRESSAVG: 2675800 -38.4286 37.6229 -38.2413 33.4131 -57.6181 -11.3133 -38.7985 -9.36053 90.0281 TIMING: 2675800 CPU: 7764.61, 0.00291353/step Wall: 7764.61, 0.00291353/step, 1.88101 hours remaining, 206.792969 MB of memory in use. ENERGY: 2675800 743.2621 2038.3253 1984.8906 109.6054 -206146.9321 17647.7943 0.0000 0.0000 34520.9220 -149102.1325 301.4798 -183623.0545 -149005.5617 300.3696 -154.9207 -121.1792 559329.9724 -2.0345 -2.0062 PRESSURE: 2676000 59.223 0.0598497 126.135 0.0576261 -36.64 53.8737 126.134 53.8742 -98.3019 GPRESSURE: 2676000 72.0935 17.7609 145.251 22.8848 -48.9656 115.987 141.967 75.4607 -1.12083 PRESSAVG: 2676000 -15.7554 9.58859 -35.9104 9.58861 10.2812 35.4418 -35.9105 35.4419 21.1243 GPRESSAVG: 2676000 -17.5043 9.8581 -37.5801 10.5253 10.1666 36.5262 -37.138 32.8019 23.2919 TIMING: 2676000 CPU: 7765.18, 0.00287488/step Wall: 7765.18, 0.00287488/step, 1.8559 hours remaining, 206.792969 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: 2676000 766.4724 2032.4168 1972.8269 110.2401 -205721.4574 17666.8901 0.0000 0.0000 34225.9854 -148946.6258 298.9040 -183172.6112 -148844.9140 299.8119 -25.2396 7.3357 558757.2275 5.2167 5.3181 PRESSURE: 2676200 -247.641 -112.391 -98.6735 -112.391 -245.08 -56.0593 -98.6748 -56.0594 -94.7126 GPRESSURE: 2676200 -195.946 -100.479 -30.325 -73.1903 -162.608 -56.8743 -154.845 -33.7472 -135.135 PRESSAVG: 2676200 11.4806 6.60862 36.7918 6.60866 -1.62626 8.12013 36.7918 8.12014 9.51293 GPRESSAVG: 2676200 12.7536 4.88843 36.6953 7.02181 -2.39131 8.00484 37.8543 10.3536 8.60406 TIMING: 2676200 CPU: 7765.76, 0.00289302/step Wall: 7765.76, 0.00289302/step, 1.86744 hours remaining, 206.792969 MB of memory in use. ENERGY: 2676200 778.9037 2098.6742 1988.1175 108.2339 -205503.7008 17450.5195 0.0000 0.0000 34083.9426 -148995.3093 297.6635 -183079.2519 -148909.4867 299.0112 -195.8113 -164.5630 559658.6846 6.4558 6.3221 LDB: ============= START OF LOAD BALANCING ============== 7769.22 LDB: ============== END OF LOAD BALANCING =============== 7769.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7769.23 LDB: ============= START OF LOAD BALANCING ============== 7769.52 LDB: Largest compute 4821 load 0.030673 is 26.0% of average load 0.117773 LDB: Average compute 0.001718 is 1.5% of average load 0.117773 LDB: TIME 7769.52 LOAD: AVG 0.117773 MAX 0.178115 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.613 MB LDB: TIME 7769.52 LOAD: AVG 0.117773 MAX 0.178115 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: TIME 7769.52 LOAD: AVG 0.117773 MAX 0.178115 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7769.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7769.52 PRESSURE: 2676400 -303.612 -7.50967 2.97465 -7.50877 -90.1678 -0.022915 2.97422 -0.0232245 -88.1255 GPRESSURE: 2676400 -260.548 37.5004 126.63 4.34939 -19.3534 13.3107 -71.526 -28.6684 -105.171 PRESSAVG: 2676400 12.3481 5.94327 -13.5915 5.94321 -7.8308 -34.1425 -13.5915 -34.1427 -7.10977 GPRESSAVG: 2676400 11.9409 7.78374 -13.4308 4.5389 -6.85832 -35.0873 -13.5984 -34.3205 -7.36746 TIMING: 2676400 CPU: 7766.35, 0.00294826/step Wall: 7766.35, 0.00294826/step, 1.90294 hours remaining, 205.109375 MB of memory in use. ENERGY: 2676400 722.8252 2076.5894 1968.8688 115.4499 -206077.2647 17632.5585 0.0000 0.0000 34279.5361 -149281.4367 299.3717 -183560.9728 -149180.1420 299.0676 -160.6353 -128.3573 559590.6801 -0.8641 -0.7616 PRESSURE: 2676600 169.663 -79.9097 -25.0922 -79.9092 -198.282 -12.6913 -25.0922 -12.6911 209.601 GPRESSURE: 2676600 195.373 -115.87 -61.9215 0.695314 -172.245 8.37305 51.8049 20.0309 259.734 PRESSAVG: 2676600 -58.4232 -8.15234 -10.5857 -8.15231 14.6952 35.6394 -10.5856 35.6393 33.0635 GPRESSAVG: 2676600 -58.0769 -8.82368 -8.94129 -5.55035 14.7808 36.7664 -10.9087 34.0057 32.548 TIMING: 2676600 CPU: 7766.93, 0.00291308/step Wall: 7766.93, 0.00291308/step, 1.88007 hours remaining, 205.109375 MB of memory in use. ENERGY: 2676600 701.7639 2153.1798 2008.3356 118.0851 -206379.4951 17963.5378 0.0000 0.0000 34259.1818 -149175.4112 299.1940 -183434.5929 -149079.8923 298.9118 60.3275 94.2874 559072.8010 -3.5548 -3.5827 PRESSURE: 2676800 -44.6494 31.2011 -245.72 31.2007 -47.7049 -53.4779 -245.722 -53.4767 -19.7785 GPRESSURE: 2676800 59.8773 -18.5955 -160.166 -42.6669 -30.1789 -62.4465 -272.979 -109.03 -46.8011 PRESSAVG: 2676800 -30.6802 17.0523 3.02625 17.0523 -32.1961 27.7694 3.02618 27.7695 38.6015 GPRESSAVG: 2676800 -29.6839 18.2146 -0.250192 14.5132 -32.582 28.905 4.11012 27.557 37.6984 TIMING: 2676800 CPU: 7767.51, 0.00288212/step Wall: 7767.51, 0.00288212/step, 1.85993 hours remaining, 205.109375 MB of memory in use. ENERGY: 2676800 745.4931 2109.9809 1942.1922 105.3564 -206331.4598 17834.7895 0.0000 0.0000 34399.4958 -149194.1518 300.4194 -183593.6476 -149097.4468 299.9972 -37.3776 -5.7009 558343.7389 -8.0916 -8.1892 PRESSURE: 2677000 -143.215 62.1965 -18.5319 62.1983 -280.43 25.7674 -18.5337 25.765 -54.1563 GPRESSURE: 2677000 -124.472 69.7749 -65.285 32.4312 -236.904 -40.1578 8.51384 87.759 -17.7299 PRESSAVG: 2677000 17.6935 -5.09903 -3.86187 -5.09905 -27.1063 -2.95785 -3.86189 -2.95768 10.6129 GPRESSAVG: 2677000 17.014 -5.70403 -2.49209 -1.93227 -28.373 -5.1947 -4.20477 -2.09166 12.5416 TIMING: 2677000 CPU: 7768.08, 0.00288043/step Wall: 7768.08, 0.00288043/step, 1.85868 hours remaining, 205.109375 MB of memory in use. ENERGY: 2677000 745.1911 2093.3955 1976.7891 120.2834 -206161.4124 17689.8964 0.0000 0.0000 34131.8421 -149404.0148 298.0819 -183535.8569 -149310.5761 298.8463 -159.2673 -126.3685 559009.8307 0.4001 0.3942 PRESSURE: 2677200 -164.003 -89.8426 -4.50657 -89.8434 -178.86 -108.148 -4.50685 -108.148 -98.6723 GPRESSURE: 2677200 -159.463 6.25373 -99.3164 -170.005 -118.802 -91.1448 13.9754 -131.193 -56.4113 PRESSAVG: 2677200 -40.41 24.0244 -55.0877 24.0244 -25.808 28.4294 -55.0877 28.4293 50.5865 GPRESSAVG: 2677200 -41.544 23.7113 -53.7608 23.8957 -24.0236 28.77 -56.3972 28.5554 49.9551 TIMING: 2677200 CPU: 7768.67, 0.00290641/step Wall: 7768.67, 0.00290641/step, 1.87528 hours remaining, 205.109375 MB of memory in use. ENERGY: 2677200 773.5062 2123.8471 1981.6533 123.8164 -206069.5539 17782.3445 0.0000 0.0000 34187.1116 -149097.2748 298.5645 -183284.3863 -148996.4965 298.6307 -147.1785 -111.5588 558681.6974 -5.2105 -5.2042 PRESSURE: 2677400 173.218 -136.127 -87.2518 -136.125 94.358 -33.246 -87.2514 -33.2469 -20.8839 GPRESSURE: 2677400 206.133 -184.623 -72.0849 -132.258 90.2891 12.6389 -38.0944 -31.8228 38.591 PRESSAVG: 2677400 -57.3211 4.61332 -57.4617 4.6133 66.5498 -1.65863 -57.4617 -1.65867 -24.5601 GPRESSAVG: 2677400 -56.6419 6.76581 -57.907 1.8007 65.7441 -1.06664 -57.9178 -1.33135 -24.3032 TIMING: 2677400 CPU: 7769.25, 0.00289981/step Wall: 7769.25, 0.00289981/step, 1.87086 hours remaining, 205.109375 MB of memory in use. ENERGY: 2677400 770.4804 2110.5913 1954.5225 113.7284 -206463.8171 18077.3724 0.0000 0.0000 34423.6724 -149013.4496 300.6305 -183437.1220 -148914.3794 299.7308 82.2308 111.6710 558989.7173 -5.1104 -5.0670 PRESSURE: 2677600 -92.3002 -32.708 21.5363 -32.7087 -139.057 -37.7309 21.5363 -37.7319 -196.687 GPRESSURE: 2677600 -81.3639 -29.1775 14.2815 -36.1918 -110.301 62.5656 16.5066 -121.76 -132.243 PRESSAVG: 2677600 -5.98991 -7.84973 42.0017 -7.84968 7.83084 -17.6576 42.0018 -17.6576 -7.97559 GPRESSAVG: 2677600 -6.33213 -10.9846 39.899 -6.75875 7.82481 -17.5741 43.916 -19.2545 -7.647 TIMING: 2677600 CPU: 7769.82, 0.00289222/step Wall: 7769.82, 0.00289222/step, 1.8658 hours remaining, 205.109375 MB of memory in use. ENERGY: 2677600 748.9972 2069.1874 1980.0661 107.2985 -205861.4320 17700.2520 0.0000 0.0000 34114.8803 -149140.7505 297.9337 -183255.6308 -149040.6748 299.2350 -142.6814 -107.9690 559033.8862 -2.0449 -2.0514 PRESSURE: 2677800 -16.986 -14.038 75.7754 -14.0381 -285.569 -126.831 75.7743 -126.828 -201.532 GPRESSURE: 2677800 20.5624 -48.198 49.6311 -63.6519 -232.929 -136.226 157.171 -185.29 -191.888 PRESSAVG: 2677800 20.33 -3.86896 4.15834 -3.86898 -17.4757 -12.2817 4.15822 -12.2817 -9.18424 GPRESSAVG: 2677800 20.9124 -4.1959 6.69602 -3.54235 -16.6196 -11.6801 4.95484 -11.3291 -10.4346 TIMING: 2677800 CPU: 7770.41, 0.00291689/step Wall: 7770.41, 0.00291689/step, 1.88155 hours remaining, 205.109375 MB of memory in use. ENERGY: 2677800 744.2744 2143.8101 1980.4232 103.4123 -205635.6588 17501.9823 0.0000 0.0000 34043.9217 -149117.8348 297.3140 -183161.7565 -149027.4461 299.3460 -168.0291 -134.7515 558753.0374 -2.1100 -2.0473 PRESSURE: 2678000 110.04 -112.284 61.7326 -112.282 79.672 133.097 61.7334 133.097 -156.925 GPRESSURE: 2678000 123.368 -155.236 6.80812 -46.2317 93.6893 188.385 58.137 105.828 -72.4629 PRESSAVG: 2678000 18.6689 -7.59032 46.4084 -7.59029 -25.4963 -8.62569 46.4085 -8.62564 -10.6926 GPRESSAVG: 2678000 18.2533 -7.30104 45.0289 -7.00102 -25.4513 -8.57073 46.0919 -10.3155 -9.72859 TIMING: 2678000 CPU: 7770.99, 0.00290475/step Wall: 7770.99, 0.00290475/step, 1.87357 hours remaining, 205.109375 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: 2678000 724.6872 2186.9750 1965.2090 116.5170 -206255.8383 17817.9362 0.0000 0.0000 34523.6243 -148920.8896 301.5034 -183444.5139 -148826.3905 299.4826 10.9290 48.1982 557514.0520 -5.8400 -5.6422 PRESSURE: 2678200 46.207 -181.963 -83.5284 -181.964 210.578 -8.73608 -83.5281 -8.7355 195.338 GPRESSURE: 2678200 118.045 -256.576 -102.204 -155.265 221.049 47.0724 -77.7299 44.4767 209.007 PRESSAVG: 2678200 84.6468 -1.66312 23.6063 -1.66319 -122.8 8.54805 23.6063 8.54809 33.8072 GPRESSAVG: 2678200 85.6975 -2.90534 24.817 -2.03829 -123.897 6.40721 24.9041 10.9262 33.5307 TIMING: 2678200 CPU: 7771.57, 0.00289114/step Wall: 7771.57, 0.00289114/step, 1.86462 hours remaining, 205.109375 MB of memory in use. ENERGY: 2678200 747.5011 2110.6665 1977.5632 126.5260 -206243.2202 17965.8703 0.0000 0.0000 34224.8955 -149090.1977 298.8945 -183315.0932 -149000.0132 299.5433 150.7077 182.7001 557544.4754 -1.4485 -1.5564 PRESSURE: 2678400 -112.413 33.6036 196.492 33.603 -164.815 -4.34192 196.491 -4.34245 112.468 GPRESSURE: 2678400 -111.78 94.0834 192.79 -42.0779 -103.587 -42.1035 104.451 -49.1071 132.367 PRESSAVG: 2678400 61.1496 -24.9187 18.0858 -24.9188 24.3628 8.15465 18.0858 8.1547 -67.2149 GPRESSAVG: 2678400 59.8752 -20.7322 19.0597 -25.1056 25.3213 8.83943 15.6776 6.46637 -66.9111 TIMING: 2678400 CPU: 7772.14, 0.0028853/step Wall: 7772.14, 0.0028853/step, 1.8607 hours remaining, 205.109375 MB of memory in use. ENERGY: 2678400 719.6483 2083.9830 1996.2755 121.0481 -206075.2234 17729.4195 0.0000 0.0000 34164.5421 -149260.3068 298.3674 -183424.8489 -149163.1478 299.6754 -54.9201 -27.6665 559330.6183 6.0992 6.0952 PRESSURE: 2678600 -286.914 159.357 119.418 159.357 27.1582 10.3974 119.417 10.3976 -18.1858 GPRESSURE: 2678600 -203.606 138.958 158.871 147.761 75.8196 -4.68811 18.7022 -39.0034 -45.8118 PRESSAVG: 2678600 2.88419 2.4138 45.5794 2.4139 7.37095 -29.7849 45.5794 -29.7848 -29.9412 GPRESSAVG: 2678600 2.62205 -0.630659 44.3422 5.58573 6.05328 -28.4825 47.4591 -27.9827 -28.8152 TIMING: 2678600 CPU: 7772.72, 0.00288842/step Wall: 7772.72, 0.00288842/step, 1.86255 hours remaining, 205.109375 MB of memory in use. ENERGY: 2678600 755.3134 2091.3672 1954.8856 114.9477 -206042.5443 17699.3083 0.0000 0.0000 34133.4661 -149293.2560 298.0960 -183426.7221 -149198.2650 299.6064 -92.6473 -57.8662 557057.9437 -6.5620 -6.7133 PRESSURE: 2678800 -225.987 -69.2297 -49.6829 -69.2298 59.2031 -73.0099 -49.6823 -73.0093 128.879 GPRESSURE: 2678800 -162.456 -17.8546 -49.8548 23.1776 102.924 -65.4394 12.4166 -51.4782 121.367 PRESSAVG: 2678800 15.9372 25.8798 -7.02184 25.8798 35.592 44.2191 -7.02191 44.2191 -10.3203 GPRESSAVG: 2678800 15.9894 27.3405 -5.61297 23.1613 36.1202 44.0103 -7.36316 41.6016 -10.6275 TIMING: 2678800 CPU: 7773.3, 0.00287406/step Wall: 7773.3, 0.00287406/step, 1.85313 hours remaining, 205.109375 MB of memory in use. ENERGY: 2678800 733.0236 2085.7204 1979.1537 106.4340 -206276.0190 17739.9772 0.0000 0.0000 34273.8865 -149357.8236 299.3224 -183631.7101 -149268.6992 298.8071 -12.6352 20.6118 556825.4764 13.7363 13.8274 PRESSURE: 2679000 16.1093 -0.648334 82.8426 -0.648113 -257.389 80.208 82.8429 80.2091 -2.38741 GPRESSURE: 2679000 85.0334 31.3342 42.509 -61.1745 -229.84 32.9537 86.5975 101.736 1.93373 PRESSAVG: 2679000 15.1586 2.08232 -22.8453 2.08224 -25.0701 19.2924 -22.8454 19.2925 -10.6609 GPRESSAVG: 2679000 16.2152 1.73368 -24.2032 -0.0360569 -25.5859 18.3479 -24.8757 19.8216 -10.6114 TIMING: 2679000 CPU: 7773.88, 0.00289865/step Wall: 7773.88, 0.00289865/step, 1.86883 hours remaining, 205.109375 MB of memory in use. ENERGY: 2679000 708.9110 2164.4210 1985.5824 109.4594 -206086.1383 17624.3467 0.0000 0.0000 34229.5579 -149263.8600 298.9352 -183493.4179 -149166.7895 298.8933 -81.2225 -47.6244 558251.1515 -6.8575 -6.6607 PRESSURE: 2679200 36.6936 -137.728 91.5275 -137.729 -228.048 100.301 91.5264 100.303 61.69 GPRESSURE: 2679200 57.9619 -213.661 99.5719 -45.682 -193.115 71.8452 134.054 139.419 100.924 PRESSAVG: 2679200 55.6769 -48.7209 38.5725 -48.721 -51.9163 -7.60781 38.5725 -7.60788 -0.518549 GPRESSAVG: 2679200 54.4176 -48.7971 38.0829 -46.3716 -52.1177 -7.68061 39.2181 -7.62578 0.485037 TIMING: 2679200 CPU: 7774.45, 0.00289221/step Wall: 7774.45, 0.00289221/step, 1.86451 hours remaining, 205.109375 MB of memory in use. ENERGY: 2679200 732.2429 2157.5801 1958.6320 110.4633 -206156.9099 17757.6023 0.0000 0.0000 34358.8559 -149081.5334 300.0644 -183440.3893 -148983.3728 299.5925 -43.2214 -11.4096 556821.8700 1.0807 0.9283 PRESSURE: 2679400 10.2854 -126.779 -68.8604 -126.778 -80.9784 -32.7858 -68.8592 -32.7861 129.952 GPRESSURE: 2679400 -22.5092 -63.4638 -58.2885 -201.112 -4.0992 -62.9734 -45.6464 41.9453 191.955 PRESSAVG: 2679400 28.0758 -45.2804 -37.3706 -45.2805 -75.5129 45.5132 -37.3705 45.5131 41.7994 GPRESSAVG: 2679400 28.899 -45.7617 -38.6865 -47.6027 -74.9248 45.5188 -36.7896 45.5534 40.5828 TIMING: 2679400 CPU: 7775.03, 0.00288872/step Wall: 7775.03, 0.00288872/step, 1.8621 hours remaining, 205.109375 MB of memory in use. ENERGY: 2679400 739.8442 2095.5556 1929.4646 121.7573 -206156.6029 17782.6786 0.0000 0.0000 34302.7455 -149184.5571 299.5744 -183487.3027 -149084.6824 299.1593 19.7531 55.1155 556757.4047 -1.8792 -1.8143 PRESSURE: 2679600 -94.9858 -113.485 -54.3436 -113.486 -127.575 117.874 -54.344 117.876 30.5468 GPRESSURE: 2679600 -80.7765 -129.659 -108.479 -132.81 -162.806 126.998 2.81683 105.165 144.256 PRESSAVG: 2679600 -42.0864 16.6461 4.40201 16.6461 2.15557 40.7862 4.40191 40.7863 74.0202 GPRESSAVG: 2679600 -43.2623 16.7837 6.82947 17.9991 1.66804 39.3135 2.58114 41.8731 75.4327 TIMING: 2679600 CPU: 7775.61, 0.00287333/step Wall: 7775.61, 0.00287333/step, 1.85202 hours remaining, 205.109375 MB of memory in use. ENERGY: 2679600 747.7823 2152.9897 1982.3443 111.4216 -205952.7192 17568.6568 0.0000 0.0000 34329.3590 -149060.1655 299.8068 -183389.5245 -148960.3163 299.6383 -64.0046 -33.1088 556855.0042 11.3631 11.2795 PRESSURE: 2679800 297.326 111.255 -36.4713 111.256 30.5364 -63.9515 -36.4712 -63.9519 49.6653 GPRESSURE: 2679800 337.509 99.5186 -35.0547 45.4179 65.5269 -110.041 -142.086 -60.5472 56.1954 PRESSAVG: 2679800 26.2742 0.263781 28.9963 0.263776 -4.84984 23.8161 28.9963 23.8161 -33.192 GPRESSAVG: 2679800 27.0981 0.731943 28.6563 0.150523 -4.84564 25.2604 29.5194 23.5349 -34.5536 TIMING: 2679800 CPU: 7776.19, 0.00289637/step Wall: 7776.19, 0.00289637/step, 1.86671 hours remaining, 205.109375 MB of memory in use. ENERGY: 2679800 753.6268 2136.1658 1956.5281 109.2616 -206613.0792 18095.2315 0.0000 0.0000 34334.0387 -149228.2267 299.8477 -183562.2654 -149134.0809 299.4558 125.8425 153.0773 555935.0378 -3.9226 -4.1004 PRESSURE: 2680000 154.003 -11.9366 -21.2119 -11.9384 8.71439 -101.553 -21.2123 -101.555 198.943 GPRESSURE: 2680000 172.182 14.8629 -24.3904 -49.5558 27.2857 -76.2918 -56.2229 -181.429 250.295 PRESSAVG: 2680000 55.6865 36.5376 18.4438 36.5376 6.19261 2.84214 18.4438 2.84212 -38.6604 GPRESSAVG: 2680000 55.2993 35.8265 18.1128 36.9904 6.03291 3.73063 20.0015 2.92302 -37.7354 TIMING: 2680000 CPU: 7776.76, 0.00287479/step Wall: 7776.76, 0.00287479/step, 1.85265 hours remaining, 205.109375 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: 2680000 737.0013 2091.7314 1969.8148 121.6550 -206224.6337 17880.7501 0.0000 0.0000 34341.2258 -149082.4552 299.9105 -183423.6810 -148988.0236 299.4481 120.5535 149.9208 557443.4920 7.7396 7.8656 PRESSURE: 2680200 3.60279 -75.8339 -88.1603 -75.8334 72.5597 -93.4652 -88.1599 -93.466 -22.5973 GPRESSURE: 2680200 2.29521 -59.6617 -83.0096 -67.1544 138.971 -100.117 -98.5612 -123.236 3.72306 PRESSAVG: 2680200 -0.18168 54.8607 -13.2262 54.8608 -13.0306 -12.5927 -13.2262 -12.5927 14.8448 GPRESSAVG: 2680200 -0.186931 55.9853 -13.3398 52.8906 -12.8942 -13.4152 -12.5936 -12.6331 14.9801 TIMING: 2680200 CPU: 7777.33, 0.00286408/step Wall: 7777.33, 0.00286408/step, 1.84558 hours remaining, 205.109375 MB of memory in use. ENERGY: 2680200 774.8567 2087.7041 1954.2386 110.3632 -206474.6844 17902.0228 0.0000 0.0000 34470.3124 -149175.1865 301.0378 -183645.4988 -149073.1721 299.1110 17.8551 48.3296 555721.7460 0.5442 0.6330 LDB: ============= START OF LOAD BALANCING ============== 7780.79 LDB: ============== END OF LOAD BALANCING =============== 7780.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7780.8 LDB: ============= START OF LOAD BALANCING ============== 7781.08 LDB: Largest compute 4821 load 0.030642 is 26.0% of average load 0.117851 LDB: Average compute 0.001725 is 1.5% of average load 0.117851 LDB: TIME 7781.09 LOAD: AVG 0.117851 MAX 0.176815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.961 MB LDB: TIME 7781.09 LOAD: AVG 0.117851 MAX 0.176815 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: TIME 7781.09 LOAD: AVG 0.117851 MAX 0.176815 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7781.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7781.09 PRESSURE: 2680400 -5.49555 -71.0639 -79.8263 -71.0642 -144.848 -1.82647 -79.827 -1.82747 50.3776 GPRESSURE: 2680400 4.82749 -79.3032 -150.788 57.3234 -98.284 -109.839 38.5864 -6.5577 100.987 PRESSAVG: 2680400 -6.88276 43.6926 -23.9033 43.6926 -27.3009 -10.507 -23.9032 -10.5071 10.6564 GPRESSAVG: 2680400 -6.42961 43.7259 -23.5102 46.3541 -26.4573 -9.95758 -25.3713 -11.8692 10.0147 TIMING: 2680400 CPU: 7777.92, 0.00291625/step Wall: 7777.92, 0.00291625/step, 1.87904 hours remaining, 206.968750 MB of memory in use. ENERGY: 2680400 738.6191 2109.8875 1940.7265 122.1519 -206501.5916 17845.2952 0.0000 0.0000 34418.3114 -149326.5999 300.5837 -183744.9113 -149222.9440 300.0425 -33.3220 2.5103 557064.0893 -7.8424 -7.6241 PRESSURE: 2680600 -270.996 -157.708 76.3691 -157.708 -87.408 92.0038 76.3685 92.004 87.9412 GPRESSURE: 2680600 -234.522 -165.563 37.116 -176.769 9.8885 138.969 157.688 133.495 56.7526 PRESSAVG: 2680600 -7.38942 14.0423 32.8178 14.0423 -30.1148 -16.4515 32.8177 -16.4515 76.4182 GPRESSAVG: 2680600 -6.72442 11.1024 32.9862 13.7168 -31.3691 -16.1347 34.1354 -16.5653 76.5138 TIMING: 2680600 CPU: 7778.49, 0.00287847/step Wall: 7778.49, 0.00287847/step, 1.85454 hours remaining, 207.109375 MB of memory in use. ENERGY: 2680600 709.2205 2038.6031 1965.3293 123.2988 -205860.7268 17468.1296 0.0000 0.0000 34287.5536 -149268.5920 299.4417 -183556.1456 -149174.0070 299.6674 -90.1542 -55.9604 557459.4057 12.9713 12.8068 PRESSURE: 2680800 -201.457 -92.8162 55.0712 -92.8174 -66.6413 130.402 55.0721 130.403 -300.581 GPRESSURE: 2680800 -176.921 -75.8061 33.9489 -65.1053 -47.5439 107.795 20.6874 90.6126 -244.186 PRESSAVG: 2680800 -46.4799 36.1483 2.82762 36.1483 -38.4937 37.8887 2.82756 37.8888 79.4043 GPRESSAVG: 2680800 -47.4764 38.2879 1.84891 35.6306 -38.0658 35.6661 3.81 38.3456 80.6244 TIMING: 2680800 CPU: 7779.07, 0.00286747/step Wall: 7779.07, 0.00286747/step, 1.84729 hours remaining, 207.109375 MB of memory in use. ENERGY: 2680800 738.5001 2082.8360 1947.2900 106.2089 -205736.9526 17570.4035 0.0000 0.0000 34188.3401 -149103.3740 298.5753 -183291.7141 -149000.9854 298.8074 -189.5596 -156.2169 558849.0459 -1.8564 -1.6393 PRESSURE: 2681000 27.0941 254.926 -28.4582 254.927 21.028 57.8242 -28.4578 57.8221 -127.245 GPRESSURE: 2681000 64.2524 311.988 -40.7521 285.193 74.0609 73.9368 -58.3651 71.7507 -128.184 PRESSAVG: 2681000 -0.144383 56.3647 -10.2112 56.3647 -36.8282 35.8994 -10.2113 35.8994 33.2913 GPRESSAVG: 2681000 -0.276123 57.2204 -9.4459 58.8655 -36.2295 35.3825 -10.6789 38.1562 33.2089 TIMING: 2681000 CPU: 7779.64, 0.00289006/step Wall: 7779.64, 0.00289006/step, 1.86168 hours remaining, 207.175781 MB of memory in use. ENERGY: 2681000 730.9492 2120.6435 1973.6022 112.2434 -206121.0160 17792.0082 0.0000 0.0000 34209.2511 -149182.3184 298.7579 -183391.5696 -149083.0896 299.1807 -26.3744 3.3765 556746.2756 -1.2271 -1.0989 PRESSURE: 2681200 15.6237 2.11911 -170.39 2.12072 188.414 105.997 -170.391 105.995 -163.845 GPRESSURE: 2681200 96.7838 57.8101 -183.31 -58.6714 204.788 25.1215 -140.771 102.096 -173.473 PRESSAVG: 2681200 64.519 35.9791 -26.0306 35.9791 35.7549 -4.0217 -26.0306 -4.02178 -80.3924 GPRESSAVG: 2681200 65.0868 33.7087 -25.258 35.5553 35.6085 -3.01325 -28.8364 -8.28654 -80.4265 TIMING: 2681200 CPU: 7780.22, 0.00289352/step Wall: 7780.22, 0.00289352/step, 1.86375 hours remaining, 207.175781 MB of memory in use. ENERGY: 2681200 757.6989 2098.5725 1946.5204 119.0858 -206083.6385 17853.6043 0.0000 0.0000 34258.5672 -149049.5894 299.1886 -183308.1566 -148961.2811 299.6312 13.3976 42.6995 556563.0185 6.6272 6.7563 PRESSURE: 2681400 -101.072 156.8 -180.184 156.799 -89.2702 -133.769 -180.182 -133.77 -60.7458 GPRESSURE: 2681400 -89.6245 170.476 -159.659 139.018 -83.2408 -91.5789 -174.659 -44.2946 14.774 PRESSAVG: 2681400 22.0196 21.8191 1.25301 21.819 52.6066 -8.39858 1.25294 -8.39862 -62.3285 GPRESSAVG: 2681400 21.3248 24.065 1.0582 19.0036 52.8773 -7.02667 1.97553 -5.45009 -61.9975 TIMING: 2681400 CPU: 7780.8, 0.00287596/step Wall: 7780.8, 0.00287596/step, 1.85228 hours remaining, 207.175781 MB of memory in use. ENERGY: 2681400 764.0362 2120.4483 1960.6726 113.4670 -206129.6284 17743.5280 0.0000 0.0000 34317.5772 -149109.8990 299.7039 -183427.4762 -149016.2579 299.9516 -83.6961 -52.6971 556493.5166 4.0992 4.0682 PRESSURE: 2681600 -49.7221 143.081 5.90446 143.081 -40.4439 -48.1479 5.90406 -48.1468 -187.664 GPRESSURE: 2681600 -53.976 172.889 0.187058 87.8974 8.59448 -81.8611 0.553668 -78.1062 -138.179 PRESSAVG: 2681600 64.9446 38.744 2.60493 38.7441 -45.3091 -28.334 2.60488 -28.3338 -13.3639 GPRESSAVG: 2681600 65.7637 38.8441 1.23013 40.5178 -45.0042 -29.1747 3.65559 -29.909 -14.4966 TIMING: 2681600 CPU: 7781.38, 0.0028934/step Wall: 7781.38, 0.0028934/step, 1.86335 hours remaining, 207.175781 MB of memory in use. ENERGY: 2681600 739.0487 2096.6817 1956.8410 111.3784 -206024.5649 17669.1192 0.0000 0.0000 34276.5452 -149174.9507 299.3456 -183451.4959 -149077.4695 299.5979 -92.6101 -61.1868 556205.9323 2.0905 2.0876 PRESSURE: 2681800 4.5497 4.608 -149.636 4.60756 -59.1906 -202.629 -149.635 -202.631 -114.094 GPRESSURE: 2681800 4.45588 -6.19673 -217.966 -71.2061 -4.57805 -211.303 -176.961 -249.94 -68.9867 PRESSAVG: 2681800 -12.618 -39.038 -30.7811 -39.0379 -29.8526 8.04823 -30.7811 8.04812 41.5821 GPRESSAVG: 2681800 -12.3062 -39.8229 -31.201 -39.5046 -30.8599 6.67879 -30.0789 8.95296 42.5746 TIMING: 2681800 CPU: 7781.95, 0.00286941/step Wall: 7781.95, 0.00286941/step, 1.84774 hours remaining, 207.175781 MB of memory in use. ENERGY: 2681800 752.2715 2073.1448 1953.4009 106.7048 -206402.0122 17795.7149 0.0000 0.0000 34316.4631 -149404.3122 299.6942 -183720.7753 -149307.5252 299.3064 -56.2450 -23.0363 555152.8935 -0.2962 -0.1971 PRESSURE: 2682000 129.592 56.0272 -20.65 56.0272 302.02 1.65854 -20.6492 1.65897 275.856 GPRESSURE: 2682000 75.917 95.3585 -51.9738 140.178 368.168 48.1035 -34.1619 27.1324 347.348 PRESSAVG: 2682000 -53.6562 -24.3377 -59.8503 -24.3378 39.8328 9.30842 -59.8503 9.30862 0.747021 GPRESSAVG: 2682000 -54.3766 -22.7023 -60.9298 -24.5359 38.8696 10.3651 -59.1352 10.1159 2.42149 TIMING: 2682000 CPU: 7782.53, 0.0028732/step Wall: 7782.53, 0.0028732/step, 1.85002 hours remaining, 207.175781 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: 2682000 736.6066 2126.9431 1936.2809 106.8366 -206568.5953 18188.8397 0.0000 0.0000 34209.3760 -149263.7123 298.7590 -183473.0883 -149171.2233 298.4281 235.8227 263.8110 556666.2338 -4.3588 -4.3618 PRESSURE: 2682200 -133.124 54.0544 34.7816 54.0531 61.5326 -32.3556 34.7807 -32.3555 -171.247 GPRESSURE: 2682200 -60.0094 40.723 -21.6639 114.125 32.4016 -71.8558 142.241 -66.5856 -112.451 PRESSAVG: 2682200 -18.6167 13.3309 30.5945 13.3309 32.4736 12.3846 30.5945 12.3847 4.34571 GPRESSAVG: 2682200 -19.1297 12.0923 32.8384 14.0626 33.6101 10.8031 28.4331 14.0402 3.18054 TIMING: 2682200 CPU: 7783.1, 0.00288356/step Wall: 7783.1, 0.00288356/step, 1.85653 hours remaining, 207.175781 MB of memory in use. ENERGY: 2682200 767.6526 2108.6384 1969.5802 105.6307 -206103.2031 17790.2115 0.0000 0.0000 34125.3975 -149236.0921 298.0256 -183361.4896 -149142.4839 298.6519 -80.9463 -46.6864 557593.8847 6.0675 5.8870 PRESSURE: 2682400 -211.266 16.1005 24.8204 16.1 72.9258 296.55 24.8197 296.548 -200.519 GPRESSURE: 2682400 -188.487 -36.3793 -3.67546 -53.7914 64.8661 269.16 24.3999 296.654 -107.322 PRESSAVG: 2682400 56.4614 -57.3991 -22.6031 -57.3991 -30.8946 -18.8718 -22.6031 -18.8718 -10.1142 GPRESSAVG: 2682400 58.5508 -58.7551 -24.4193 -57.7453 -31.5529 -17.8759 -21.2302 -22.5691 -11.4327 TIMING: 2682400 CPU: 7783.68, 0.00290023/step Wall: 7783.68, 0.00290023/step, 1.8671 hours remaining, 207.175781 MB of memory in use. ENERGY: 2682400 777.9093 2027.3812 1969.3286 123.7813 -206226.0710 17673.3435 0.0000 0.0000 34335.2582 -149319.0688 299.8583 -183654.3270 -149213.2202 298.8588 -112.9530 -76.9811 557315.1641 5.1509 5.1884 PRESSURE: 2682600 -159.741 -29.3317 40.3139 -29.3325 -203.147 79.6911 40.3131 79.6902 -223.324 GPRESSURE: 2682600 -139.322 -44.7876 88.4122 47.2902 -160.784 95.4808 118.085 3.37634 -200.303 PRESSAVG: 2682600 20.8276 18.7948 22.6599 18.7949 81.954 27.143 22.6599 27.1429 -60.8279 GPRESSAVG: 2682600 19.3131 19.8636 24.5651 19.4222 83.6497 27.2423 22.4137 28.0092 -61.1874 TIMING: 2682600 CPU: 7784.26, 0.00290673/step Wall: 7784.26, 0.00290673/step, 1.87113 hours remaining, 207.175781 MB of memory in use. ENERGY: 2682600 744.3744 2167.1283 1961.3564 111.1235 -205974.3027 17521.9421 0.0000 0.0000 34106.4460 -149361.9320 297.8601 -183468.3780 -149266.7682 298.4347 -195.4043 -166.8033 558257.7761 13.9846 13.9251 PRESSURE: 2682800 7.94662 -112.983 -47.9038 -112.982 112.368 126.018 -47.9036 126.019 -72.6863 GPRESSURE: 2682800 -13.189 -124.665 -58.566 -14.8919 171.562 145.845 -12.8571 129.088 -31.6966 PRESSAVG: 2682800 -32.0947 -3.29319 -22.0636 -3.29317 23.7377 7.68372 -22.0636 7.68374 -6.26091 GPRESSAVG: 2682800 -32.5943 -4.21978 -18.8909 -2.9289 23.6769 6.79245 -25.2703 7.49384 -5.63324 TIMING: 2682800 CPU: 7784.84, 0.00290733/step Wall: 7784.84, 0.00290734/step, 1.87135 hours remaining, 207.175781 MB of memory in use. ENERGY: 2682800 745.1170 2121.9467 1981.0710 107.0553 -206029.9916 17691.7150 0.0000 0.0000 34211.0425 -149172.0440 298.7735 -183383.0865 -149078.0005 299.3230 15.8760 42.2253 557197.2069 -4.8726 -4.8502 PRESSURE: 2683000 53.5275 13.7977 119.461 13.798 42.4695 -189.867 119.46 -189.867 154.741 GPRESSURE: 2683000 87.4338 31.2641 54.6447 28.8484 94.0562 -189.809 128.679 -189.886 173.458 PRESSAVG: 2683000 68.2102 29.2773 -12.4145 29.2772 -4.56562 -2.91207 -12.4144 -2.91203 -27.7975 GPRESSAVG: 2683000 68.7057 31.5343 -15.0408 28.3171 -5.51508 -1.35227 -8.82646 -3.61767 -27.1753 TIMING: 2683000 CPU: 7785.42, 0.00288239/step Wall: 7785.42, 0.00288239/step, 1.85514 hours remaining, 207.175781 MB of memory in use. ENERGY: 2683000 775.0595 2047.6774 1957.3561 105.0981 -206198.9907 18021.3938 0.0000 0.0000 34049.0801 -149243.3258 297.3591 -183292.4058 -149149.2494 299.9163 83.5794 118.3160 557148.1835 11.9490 12.0051 PRESSURE: 2683200 -100.199 -186.222 -51.5533 -186.222 -18.2211 85.7212 -51.5531 85.7218 -117.187 GPRESSURE: 2683200 -2.32143 -137.288 -159.779 -157.717 4.07813 132.368 -76.6834 43.9686 -152.02 PRESSAVG: 2683200 38.3515 -13.7194 4.42084 -13.7194 46.6081 8.16622 4.42079 8.16619 -36.2815 GPRESSAVG: 2683200 38.3001 -14.6945 3.65928 -13.5204 46.8178 8.50823 2.96684 9.81593 -36.2398 TIMING: 2683200 CPU: 7786, 0.00288926/step Wall: 7786, 0.00288926/step, 1.8594 hours remaining, 207.175781 MB of memory in use. ENERGY: 2683200 741.9234 2126.0394 1982.7789 116.4617 -206212.2404 17754.2758 0.0000 0.0000 34309.3001 -149181.4612 299.6317 -183490.7612 -149084.1414 299.4475 -78.5357 -50.0877 557832.9667 16.2261 16.2927 PRESSURE: 2683400 52.6318 164.896 36.5565 164.896 -192.943 -103.036 36.5565 -103.037 -82.0806 GPRESSURE: 2683400 76.3859 161.61 91.5027 167.69 -160.528 -19.2179 11.6107 -79.7312 -34.9444 PRESSAVG: 2683400 37.416 0.948505 68.1998 0.94847 25.8099 -5.14509 68.1998 -5.14517 -32.2356 GPRESSAVG: 2683400 37.1609 1.66325 69.8776 -0.608918 26.3417 -4.21387 67.3601 -7.05674 -32.4806 TIMING: 2683400 CPU: 7786.58, 0.00289109/step Wall: 7786.58, 0.00289109/step, 1.86042 hours remaining, 207.246094 MB of memory in use. ENERGY: 2683400 722.3351 2093.8319 1977.4616 117.0987 -206040.1157 17620.2699 0.0000 0.0000 34266.4357 -149242.6827 299.2573 -183509.1184 -149150.4834 299.6292 -74.1305 -39.6953 555915.3710 10.3301 10.3407 PRESSURE: 2683600 -274.568 47.8714 70.2109 47.8718 -238.249 4.43949 70.2112 4.43824 -211.572 GPRESSURE: 2683600 -258.3 58.7194 154.511 -47.6574 -159.927 -53.2231 12.831 61.7696 -208.687 PRESSAVG: 2683600 44.8294 8.85 44.5045 8.85 -23.9552 -6.35276 44.5046 -6.35289 -27.6627 GPRESSAVG: 2683600 45.2261 9.39934 43.0929 9.61975 -25.1034 -8.41311 44.0989 -4.85277 -26.9521 TIMING: 2683600 CPU: 7787.16, 0.00290785/step Wall: 7787.16, 0.00290785/step, 1.87104 hours remaining, 207.246094 MB of memory in use. ENERGY: 2683600 732.9814 2104.0521 1981.0478 134.8808 -205741.4522 17374.1699 0.0000 0.0000 34252.3684 -149161.9518 299.1345 -183414.3202 -149066.9824 299.3417 -241.4629 -208.9713 556835.0995 -2.2629 -2.2765 PRESSURE: 2683800 -137.562 30.2544 2.24685 30.2546 -144.643 208.696 2.24624 208.697 31.3068 GPRESSURE: 2683800 -52.4282 -89.578 -52.0461 96.3437 -140.369 206.05 45.9455 150.998 48.1286 PRESSAVG: 2683800 -4.53881 -19.9812 -0.514128 -19.9811 -21.9549 20.481 -0.51417 20.4811 0.760807 GPRESSAVG: 2683800 -4.77091 -21.1404 -0.770023 -18.6467 -21.2894 18.2338 2.02929 22.4285 0.715166 TIMING: 2683800 CPU: 7787.74, 0.00289709/step Wall: 7787.74, 0.00289709/step, 1.86396 hours remaining, 207.246094 MB of memory in use. ENERGY: 2683800 722.4156 2045.0396 1985.6681 122.6968 -205918.1577 17821.4525 0.0000 0.0000 33836.3575 -149384.5276 295.5013 -183220.8851 -149287.6145 298.9180 -83.6327 -48.2228 558341.6702 -8.5776 -8.4484 PRESSURE: 2684000 -293.627 -119.056 44.1296 -119.056 -132.188 6.95977 44.1289 6.96047 -56.8063 GPRESSURE: 2684000 -243.57 -201.334 16.2852 -92.7785 -140.737 -18.5574 19.5107 -29.9988 -7.9791 PRESSAVG: 2684000 -11.5098 19.7704 35.3678 19.7704 -2.56029 26.3691 35.3678 26.3691 13.192 GPRESSAVG: 2684000 -10.6702 19.3355 34.9814 20.1278 -2.94724 26.8133 34.2554 25.0492 12.5066 TIMING: 2684000 CPU: 7788.32, 0.00290692/step Wall: 7788.32, 0.00290692/step, 1.87012 hours remaining, 207.246094 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: 2684000 769.5711 2074.5455 1976.1220 114.5123 -206023.1127 17550.3514 0.0000 0.0000 34151.5064 -149386.5040 298.2536 -183538.0104 -149291.6970 298.4605 -160.8739 -130.7621 557077.3850 -0.2927 -0.3703 PRESSURE: 2684200 -535.804 -39.9 -85.4222 -39.8998 -215.508 -76.026 -85.4223 -76.0254 15.8167 GPRESSURE: 2684200 -477.613 39.8855 -183.61 -32.5441 -217.628 -148.359 -101.932 -73.5364 54.864 PRESSAVG: 2684200 34.1324 22.094 -6.33117 22.094 -61.6289 -29.1828 -6.33108 -29.1826 9.12168 GPRESSAVG: 2684200 33.744 24.4865 -6.14161 19.0341 -60.922 -28.1618 -5.33504 -29.185 8.52916 TIMING: 2684200 CPU: 7788.9, 0.0029022/step Wall: 7788.9, 0.0029022/step, 1.86692 hours remaining, 207.246094 MB of memory in use. ENERGY: 2684200 769.0886 2053.6573 1940.7346 105.2019 -206008.4158 17463.3791 0.0000 0.0000 34159.3358 -149517.0186 298.3220 -183676.3544 -149426.4234 298.4493 -245.1650 -213.4592 557456.3591 -6.1250 -6.2163 LDB: ============= START OF LOAD BALANCING ============== 7792.37 LDB: ============== END OF LOAD BALANCING =============== 7792.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7792.37 LDB: ============= START OF LOAD BALANCING ============== 7792.66 LDB: Largest compute 4821 load 0.030767 is 26.1% of average load 0.117747 LDB: Average compute 0.001711 is 1.5% of average load 0.117747 LDB: TIME 7792.66 LOAD: AVG 0.117747 MAX 0.179674 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 7792.66 LOAD: AVG 0.117747 MAX 0.179674 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: TIME 7792.66 LOAD: AVG 0.117747 MAX 0.179674 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.336 MB LDB: ============== END OF LOAD BALANCING =============== 7792.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7792.67 PRESSURE: 2684400 -91.2665 196.155 44.9736 196.155 -11.7504 121.853 44.974 121.853 18.5531 GPRESSURE: 2684400 -53.5733 304.661 -22.9823 179.81 -11.847 65.8661 20.5212 102.5 76.1542 PRESSAVG: 2684400 -7.14418 37.9442 -18.9729 37.9442 5.09747 37.0928 -18.9729 37.0928 29.2879 GPRESSAVG: 2684400 -7.10441 37.9661 -19.9365 40.9069 3.7716 36.7934 -18.9201 37.2628 30.5021 TIMING: 2684400 CPU: 7789.49, 0.00296057/step Wall: 7789.49, 0.00296057/step, 1.9043 hours remaining, 205.621094 MB of memory in use. ENERGY: 2684400 739.1955 2043.0653 1937.4188 109.5324 -206319.1353 17948.1432 0.0000 0.0000 34134.7497 -149407.0306 298.1073 -183541.7802 -149310.1137 298.5948 -28.1546 3.5780 557723.7247 9.0804 9.0564 PRESSURE: 2684600 -130.476 -57.5954 -71.453 -57.595 -272.898 43.6193 -71.4515 43.6197 -143.596 GPRESSURE: 2684600 -95.8359 -82.7559 -35.2993 -33.6557 -272.572 -29.5392 -71.0774 -28.356 -94.4777 PRESSAVG: 2684600 -34.4458 28.3127 -1.44489 28.3127 -30.8141 48.3 -1.44487 48.3 8.62652 GPRESSAVG: 2684600 -33.7285 26.7601 0.272016 28.1109 -30.1857 49.5759 -3.79909 47.375 7.22668 TIMING: 2684600 CPU: 7790.07, 0.00290525/step Wall: 7790.07, 0.00290525/step, 1.86856 hours remaining, 205.824219 MB of memory in use. ENERGY: 2684600 746.6284 2060.3299 1970.7153 109.5060 -206170.6907 17700.9517 0.0000 0.0000 34271.7933 -149310.7661 299.3041 -183582.5593 -149214.5425 299.0851 -182.3231 -154.2952 557863.2669 -18.8778 -18.8959 PRESSURE: 2684800 39.6238 -78.2252 31.659 -78.2253 -102.259 -70.1276 31.659 -70.1257 108.38 GPRESSURE: 2684800 51.8146 -82.1742 105.749 -21.0871 -12.0441 -107.558 -51.0213 -77.084 90.6942 PRESSAVG: 2684800 -16.0888 -19.7352 20.1424 -19.7353 37.6597 -21.3948 20.1423 -21.3947 -8.59561 GPRESSAVG: 2684800 -16.574 -19.6132 22.2821 -18.6659 37.3408 -23.2013 19.6791 -21.8876 -8.12449 TIMING: 2684800 CPU: 7790.65, 0.00289971/step Wall: 7790.65, 0.00289971/step, 1.86483 hours remaining, 205.824219 MB of memory in use. ENERGY: 2684800 727.2525 2120.1947 1976.4071 114.9778 -206176.8802 17719.0453 0.0000 0.0000 34343.8876 -149175.1152 299.9337 -183519.0028 -149080.9629 299.6752 15.2484 43.4883 557523.8214 4.3251 4.2141 PRESSURE: 2685000 -99.1931 -34.1495 105.384 -34.1486 -195.047 122.829 105.384 122.832 -43.8136 GPRESSURE: 2685000 -97.5556 -79.9309 75.1714 -120.548 -200.989 85.1229 48.5604 72.0473 52.2186 PRESSAVG: 2685000 50.3431 -21.616 -9.06192 -21.616 -21.6626 46.6246 -9.062 46.6247 1.02957 GPRESSAVG: 2685000 50.743 -25.0068 -10.6976 -20.1735 -22.7475 48.3238 -6.25847 47.5719 1.52043 TIMING: 2685000 CPU: 7791.23, 0.00289316/step Wall: 7791.23, 0.00289316/step, 1.86046 hours remaining, 205.824219 MB of memory in use. ENERGY: 2685000 761.2842 2063.8416 1966.4938 102.9979 -205816.7650 17695.7527 0.0000 0.0000 34087.8065 -149138.5883 297.6973 -183226.3948 -149053.2247 299.7526 -112.6845 -82.1087 558531.4617 9.9034 9.8386 PRESSURE: 2685200 -75.2887 -11.7009 -31.3064 -11.7017 -48.5352 84.3103 -31.3048 84.3116 -19.8319 GPRESSURE: 2685200 -25.133 22.9897 -128.513 48.4988 -19.0594 168.054 10.2529 44.4123 3.6953 PRESSAVG: 2685200 -10.9406 -0.361755 -50.8583 -0.361653 -61.3612 64.7915 -50.8583 64.7914 69.7726 GPRESSAVG: 2685200 -10.533 2.4454 -51.2179 -3.18165 -61.6835 64.9489 -52.5683 64.1301 69.4894 TIMING: 2685200 CPU: 7791.81, 0.00288488/step Wall: 7791.81, 0.00288488/step, 1.85498 hours remaining, 205.824219 MB of memory in use. ENERGY: 2685200 775.2589 2100.3214 1934.7963 95.4447 -206244.0953 17763.3450 0.0000 0.0000 34316.0918 -149258.8371 299.6910 -183574.9289 -149170.2221 299.5299 -47.8853 -13.4990 557429.2588 -0.8431 -0.9090 PRESSURE: 2685400 -28.0821 -77.5732 -75.2642 -77.5733 -350.653 77.5321 -75.2653 77.5321 -252.01 GPRESSURE: 2685400 -17.0209 -69.0969 -33.5042 -5.60209 -294.877 44.9127 -28.8972 74.7987 -221.667 PRESSAVG: 2685400 74.482 -38.3572 -49.5532 -38.3572 -10.0419 30.5859 -49.5533 30.586 -30.2399 GPRESSAVG: 2685400 73.5483 -37.2718 -49.0425 -40.0155 -9.40665 29.0358 -49.5744 31.5013 -29.8768 TIMING: 2685400 CPU: 7792.38, 0.00287603/step Wall: 7792.38, 0.00287602/step, 1.84912 hours remaining, 205.824219 MB of memory in use. ENERGY: 2685400 754.6545 2115.8979 1964.4733 112.9655 -206141.7624 17564.9790 0.0000 0.0000 34221.5279 -149407.2643 298.8651 -183628.7922 -149311.9076 299.2703 -210.2482 -177.8548 557857.8624 11.4000 11.4216 PRESSURE: 2685600 -151.965 -182.895 -96.6759 -182.895 -39.7285 76.0752 -96.6765 76.078 -2.50735 GPRESSURE: 2685600 -91.5235 -172.198 -83.1049 -190.353 8.51669 109.51 -14.429 50.6276 -4.18559 PRESSAVG: 2685600 35.5156 -55.7553 -33.9581 -55.7553 -21.3865 -1.77126 -33.9581 -1.7712 -3.9509 GPRESSAVG: 2685600 35.5882 -56.3754 -34.3378 -54.026 -20.5036 -1.37489 -33.5307 -1.43874 -5.3797 TIMING: 2685600 CPU: 7792.96, 0.00289698/step Wall: 7792.96, 0.00289698/step, 1.86243 hours remaining, 205.824219 MB of memory in use. ENERGY: 2685600 740.5955 2115.0807 1954.8545 118.1235 -206298.9946 17807.9675 0.0000 0.0000 34192.5447 -149369.8281 298.6120 -183562.3728 -149268.5037 299.8724 -64.7335 -29.0641 558503.6908 3.3927 3.2350 PRESSURE: 2685800 17.6019 -80.5771 25.832 -80.577 -37.6435 22.9006 25.833 22.9012 -163.527 GPRESSURE: 2685800 24.92 -63.4391 86.0107 -129.758 36.7401 0.132491 98.6076 -20.7944 -125.97 PRESSAVG: 2685800 37.4111 -70.5439 34.1714 -70.5439 -15.2576 -4.6657 34.1713 -4.66573 -24.633 GPRESSAVG: 2685800 37.551 -70.0555 33.7233 -70.9506 -15.9385 -3.94208 34.7483 -5.38379 -23.5173 TIMING: 2685800 CPU: 7793.54, 0.00288462/step Wall: 7793.54, 0.00288462/step, 1.85433 hours remaining, 205.824219 MB of memory in use. ENERGY: 2685800 782.3513 2093.3991 1959.3089 115.5352 -205946.4463 17552.8655 0.0000 0.0000 34359.9620 -149083.0244 300.0741 -183442.9864 -148985.9044 299.1694 -61.1894 -21.4367 556168.9782 -0.8265 -0.6349 PRESSURE: 2686000 135.186 -162.42 -23.4571 -162.42 204.894 -68.4593 -23.4563 -68.4592 110.605 GPRESSURE: 2686000 186.261 -118.016 34.4347 -206.416 190.955 -60.9216 -23.905 -66.311 157.668 PRESSAVG: 2686000 39.1272 -54.1067 30.2647 -54.1067 -28.8407 7.83369 30.2646 7.83375 12.4984 GPRESSAVG: 2686000 38.5475 -54.1925 30.6451 -52.6669 -28.5871 7.2143 30.2732 7.27957 12.5075 TIMING: 2686000 CPU: 7794.12, 0.00289384/step Wall: 7794.12, 0.00289384/step, 1.8601 hours remaining, 205.824219 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: 2686000 702.8088 2083.1882 1942.2356 113.7504 -205858.7803 17734.9279 0.0000 0.0000 34227.0981 -149054.7712 298.9138 -183281.8693 -148964.0383 299.4584 150.2285 178.2947 556683.5685 7.5950 7.4893 PRESSURE: 2686200 -81.1175 51.3074 -65.6207 51.3095 197.748 -11.7446 -65.6202 -11.744 -70.3295 GPRESSURE: 2686200 -5.2952 138.93 -88.4365 52.7025 228.127 7.74399 -52.7029 -121.719 -80.9119 PRESSAVG: 2686200 -40.3952 -92.8109 2.08898 -92.8109 8.80319 -24.3739 2.08908 -24.374 2.87388 GPRESSAVG: 2686200 -39.888 -92.3324 2.48027 -92.8516 9.04959 -24.2956 -0.392621 -25.6001 2.02212 TIMING: 2686200 CPU: 7794.7, 0.00289145/step Wall: 7794.7, 0.00289145/step, 1.8584 hours remaining, 205.824219 MB of memory in use. ENERGY: 2686200 752.1373 2143.2224 1943.0408 105.2466 -206238.3486 17816.8700 0.0000 0.0000 34275.8944 -149201.9371 299.3399 -183477.8315 -149107.7377 299.2513 15.4337 47.3066 557519.7353 -9.5727 -9.6054 PRESSURE: 2686400 68.2548 -54.7604 -93.8024 -54.7604 -81.162 -50.2158 -93.8024 -50.2156 -179.15 GPRESSURE: 2686400 71.8078 31.9808 58.3608 -132.674 -84.5937 -19.7605 -144.598 -64.0364 -93.044 PRESSAVG: 2686400 -44.0058 -90.2764 -33.1867 -90.2765 3.98376 28.1389 -33.1867 28.1389 27.0063 GPRESSAVG: 2686400 -45.0635 -88.6452 -33.2275 -91.3546 3.27796 28.4431 -30.1245 28.4435 28.2708 TIMING: 2686400 CPU: 7795.28, 0.00290188/step Wall: 7795.28, 0.00290188/step, 1.86494 hours remaining, 205.824219 MB of memory in use. ENERGY: 2686400 749.7285 2069.0897 1948.6154 110.1857 -206492.6246 17948.6784 0.0000 0.0000 34338.5924 -149327.7345 299.8875 -183666.3269 -149239.1192 298.7908 -64.0190 -35.2766 559207.9707 -4.3386 -4.5049 PRESSURE: 2686600 28.2774 77.5832 130.044 77.584 160.813 -53.9479 130.044 -53.9476 -2.9065 GPRESSURE: 2686600 0.647912 53.7916 105.632 76.0022 243.202 -129.784 177.185 54.3606 40.8515 PRESSAVG: 2686600 -6.35653 -4.3515 11.0678 -4.35151 -35.3368 67.4565 11.0677 67.4565 59.0788 GPRESSAVG: 2686600 -6.13669 -6.56849 10.1067 -4.17723 -35.0924 65.1625 9.71292 68.9864 58.2843 TIMING: 2686600 CPU: 7795.86, 0.00289323/step Wall: 7795.86, 0.00289323/step, 1.85922 hours remaining, 205.824219 MB of memory in use. ENERGY: 2686600 792.7281 2078.5091 1942.9360 113.3222 -206539.4562 18071.5642 0.0000 0.0000 34228.9227 -149311.4738 298.9297 -183540.3966 -149219.6537 298.7041 62.0612 94.9005 557009.2368 5.7952 5.6851 PRESSURE: 2686800 -245.262 248.456 -74.8397 248.455 28.66 -88.7989 -74.8402 -88.7989 -19.0775 GPRESSURE: 2686800 -208.527 245.207 -149.784 246.196 26.6423 -119.995 -89.3804 -103.912 43.7697 PRESSAVG: 2686800 -98.9692 5.72162 -34.6816 5.72169 8.55474 42.7328 -34.6816 42.7327 41.0924 GPRESSAVG: 2686800 -99.4387 7.88411 -35.0937 6.80438 8.28048 45.9367 -35.6625 41.2814 41.8667 TIMING: 2686800 CPU: 7796.43, 0.00289107/step Wall: 7796.43, 0.00289107/step, 1.85767 hours remaining, 206.082031 MB of memory in use. ENERGY: 2686800 793.7076 2092.6471 1948.2493 111.2458 -206312.2257 17733.9611 0.0000 0.0000 34300.5188 -149331.8960 299.5550 -183632.4148 -149235.7416 298.1999 -78.5597 -46.0382 558486.0113 -16.4407 -16.4305 PRESSURE: 2687000 22.5592 18.3801 -61.9335 18.3791 -165.916 115.398 -61.9336 115.398 -287.038 GPRESSURE: 2687000 52.6822 10.7069 -54.4563 -68.6899 -117.062 181.499 -62.8748 123.377 -264.633 PRESSAVG: 2687000 4.42352 58.6682 -54.3385 58.6681 -31.6444 32.9773 -54.3384 32.9772 20.4368 GPRESSAVG: 2687000 5.32516 55.7147 -53.0146 58.0238 -31.5654 32.7331 -54.5493 34.086 19.702 TIMING: 2687000 CPU: 7797.01, 0.00288801/step Wall: 7797.01, 0.00288801/step, 1.85554 hours remaining, 206.082031 MB of memory in use. ENERGY: 2687000 777.3647 2123.1689 1958.0814 112.4430 -206194.3944 17782.6252 0.0000 0.0000 33968.4338 -149472.2775 296.6548 -183440.7112 -149379.5022 298.0245 -143.4648 -109.6708 559244.3047 -2.2614 -2.1794 PRESSURE: 2687200 -132.354 -90.3348 81.3671 -90.3335 -160.736 -78.3191 81.3673 -78.3179 78.4499 GPRESSURE: 2687200 -122.151 -88.0567 117.502 -79.2785 -112.048 -20.6898 97.9129 -107.158 124.788 PRESSAVG: 2687200 -16.1316 17.5172 7.98258 17.5172 -58.6013 34.9349 7.9826 34.9347 107.145 GPRESSAVG: 2687200 -16.4101 19.4096 8.26845 16.2561 -58.4075 33.3993 8.2203 32.5463 107.134 TIMING: 2687200 CPU: 7797.59, 0.00291175/step Wall: 7797.59, 0.00291175/step, 1.87064 hours remaining, 206.082031 MB of memory in use. ENERGY: 2687200 728.0064 2060.6213 1937.4029 122.4535 -206180.1344 17680.0370 0.0000 0.0000 34289.2759 -149362.3373 299.4568 -183651.6133 -149264.2340 298.3100 -71.5467 -36.4706 557801.4002 10.8040 10.7720 PRESSURE: 2687400 -124.247 -92.2425 -102.689 -92.2428 -120.109 -196.558 -102.689 -196.558 -209.245 GPRESSURE: 2687400 -81.7827 -162.98 -97.5762 -84.4323 -86.25 -232.921 -165.305 -171.467 -185.903 PRESSAVG: 2687400 -17.3986 -44.9758 -41.7338 -44.9758 4.30903 -4.31167 -41.7337 -4.31173 33.3623 GPRESSAVG: 2687400 -18.8853 -44.9913 -42.9222 -44.4865 4.38926 -3.93369 -40.8463 -3.46812 34.78 TIMING: 2687400 CPU: 7798.17, 0.00290028/step Wall: 7798.17, 0.00290028/step, 1.8631 hours remaining, 206.082031 MB of memory in use. ENERGY: 2687400 761.2557 2093.6032 1951.2621 108.2296 -205902.5843 17693.4080 0.0000 0.0000 34014.6118 -149280.2139 297.0581 -183294.8257 -149182.5796 298.6522 -151.2002 -117.9785 559169.4634 6.7576 6.7613 PRESSURE: 2687600 86.1882 -65.5878 -32.6895 -65.5877 -1.8474 123.268 -32.6881 123.268 -249.379 GPRESSURE: 2687600 169.695 -91.0004 -46.1688 -33.9528 33.5871 80.9514 -18.7025 86.8122 -260.533 PRESSAVG: 2687600 -21.2492 7.91238 -62.3554 7.91248 -33.8004 -14.0007 -62.3554 -14.0008 86.2363 GPRESSAVG: 2687600 -20.5367 7.64381 -63.7556 6.6961 -33.4641 -15.2858 -62.2917 -15.5022 85.219 TIMING: 2687600 CPU: 7798.75, 0.00289679/step Wall: 7798.75, 0.00289679/step, 1.86071 hours remaining, 206.082031 MB of memory in use. ENERGY: 2687600 751.3738 2089.9387 1964.7144 110.5586 -206066.1439 17841.3583 0.0000 0.0000 34128.1155 -149180.0847 298.0493 -183308.2002 -149086.1923 299.4318 -55.0128 -19.0837 559547.0867 10.3956 10.4061 PRESSURE: 2687800 233.421 115.934 0.280088 115.935 72.1653 -51.3699 0.279788 -51.3698 -9.52297 GPRESSURE: 2687800 301.834 124.379 -64.2853 62.7542 131.58 -54.7334 -77.9399 -8.80295 -21.2096 PRESSAVG: 2687800 59.4767 -21.3827 -17.4215 -21.3827 -66.9593 -15.0416 -17.4215 -15.0416 -5.11504 GPRESSAVG: 2687800 59.8872 -22.3522 -16.9848 -19.4598 -66.2343 -13.3081 -17.2354 -15.8593 -5.44718 TIMING: 2687800 CPU: 7799.33, 0.00288518/step Wall: 7799.33, 0.00288518/step, 1.85309 hours remaining, 206.082031 MB of memory in use. ENERGY: 2687800 751.8289 2086.3032 1939.4077 115.3655 -206291.8704 17907.3824 0.0000 0.0000 34387.3828 -149104.1998 300.3136 -183491.5827 -149008.1230 299.2302 98.6876 137.4016 557665.9383 -4.1992 -3.9314 PRESSURE: 2688000 59.0183 61.1603 194.739 61.16 31.531 -33.6897 194.74 -33.6895 191.653 GPRESSURE: 2688000 94.1389 138.392 212.877 33.4437 60.9338 -1.8227 128.883 -91.1214 222.26 PRESSAVG: 2688000 7.98591 1.94847 -10.4003 1.94857 -17.7382 -27.0945 -10.4004 -27.0946 -26.8624 GPRESSAVG: 2688000 8.24269 4.87958 -9.74141 0.273053 -18.6447 -28.2063 -10.3248 -24.797 -26.5297 TIMING: 2688000 CPU: 7799.9, 0.00286723/step Wall: 7799.9, 0.00286723/step, 1.8414 hours remaining, 206.082031 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: 2688000 710.9930 2054.0550 1987.9219 118.0386 -206055.2904 17982.0407 0.0000 0.0000 34163.1650 -149039.0763 298.3554 -183202.2413 -148950.6366 298.8102 94.0674 125.7776 557380.1149 -12.2049 -12.3106 PRESSURE: 2688200 180.953 24.317 61.807 24.3169 -100.331 31.4552 61.8068 31.455 63.5892 GPRESSURE: 2688200 183.096 17.9115 43.8522 -1.82809 0.874372 62.6467 18.0224 36.3919 47.1599 PRESSAVG: 2688200 -14.3885 -38.5154 -72.957 -38.5153 -25.1951 -55.0268 -72.9571 -55.0268 48.5089 GPRESSAVG: 2688200 -14.4359 -39.9735 -73.6057 -37.0232 -25.6054 -54.4446 -74.5662 -55.4666 48.5704 TIMING: 2688200 CPU: 7800.48, 0.00288897/step Wall: 7800.48, 0.00288897/step, 1.8552 hours remaining, 206.285156 MB of memory in use. ENERGY: 2688200 751.3090 2084.0130 1938.6562 119.5316 -206227.7341 17932.6152 0.0000 0.0000 34373.2732 -149028.3359 300.1903 -183401.6090 -148937.1713 299.8005 48.0703 77.0434 559117.8218 2.9751 2.8430 LDB: ============= START OF LOAD BALANCING ============== 7803.95 LDB: ============== END OF LOAD BALANCING =============== 7803.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7803.95 LDB: ============= START OF LOAD BALANCING ============== 7804.24 LDB: Largest compute 4821 load 0.031535 is 26.8% of average load 0.117717 LDB: Average compute 0.001725 is 1.5% of average load 0.117717 LDB: TIME 7804.24 LOAD: AVG 0.117717 MAX 0.179168 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.453 MB LDB: TIME 7804.24 LOAD: AVG 0.117717 MAX 0.179168 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: TIME 7804.24 LOAD: AVG 0.117717 MAX 0.179168 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.453 MB LDB: ============== END OF LOAD BALANCING =============== 7804.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7804.25 PRESSURE: 2688400 36.6346 10.975 -20.7022 10.9736 45.3796 -50.7164 -20.7025 -50.7159 -144.573 GPRESSURE: 2688400 57.6041 -22.3859 29.2321 24.55 90.6649 -26.7038 -31.1726 -36.0858 -123.274 PRESSAVG: 2688400 40.6908 32.9744 -45.6926 32.9744 -87.5293 -17.331 -45.6926 -17.3311 24.0614 GPRESSAVG: 2688400 39.8276 32.9732 -44.4896 33.5354 -87.1831 -17.5314 -44.575 -16.5375 24.081 TIMING: 2688400 CPU: 7801.08, 0.00296589/step Wall: 7801.08, 0.00296589/step, 1.90443 hours remaining, 207.925781 MB of memory in use. ENERGY: 2688400 731.2962 2141.5656 1976.9266 100.8508 -205825.5742 17589.5837 0.0000 0.0000 34171.2780 -149114.0732 298.4263 -183285.3513 -149017.3089 298.7202 -20.8528 8.3318 556972.2302 -7.5924 -7.7582 PRESSURE: 2688600 -113.155 93.4664 -163.335 93.4662 57.1813 -97.1466 -163.336 -97.1471 -130.597 GPRESSURE: 2688600 -84.8704 83.005 -200.841 52.2333 14.0469 -106.125 -77.2401 16.1356 -15.5597 PRESSAVG: 2688600 -18.9593 2.35113 -30.7538 2.35115 41.8329 -28.7881 -30.7538 -28.7881 9.03656 GPRESSAVG: 2688600 -18.0979 2.51933 -30.7893 1.55069 40.9642 -28.5715 -31.9013 -27.4937 9.1194 TIMING: 2688600 CPU: 7801.65, 0.00289693/step Wall: 7801.65, 0.00289693/step, 1.85999 hours remaining, 208.128906 MB of memory in use. ENERGY: 2688600 726.8744 2113.7310 1959.6992 119.8087 -206362.3325 17920.5323 0.0000 0.0000 34313.4046 -149208.2823 299.6675 -183521.6869 -149121.9283 298.6626 -62.1900 -28.7944 557204.0212 10.6367 10.6619 PRESSURE: 2688800 -115.188 60.4571 -8.98667 60.4591 -92.5109 -93.4882 -8.98681 -93.4883 -191.49 GPRESSURE: 2688800 -114.463 29.6925 -39.0902 123.02 -63.657 -14.4364 39.0732 -122.814 -130.366 PRESSAVG: 2688800 -1.71271 7.34456 -24.492 7.34455 62.0295 -46.5468 -24.492 -46.5467 -67.6431 GPRESSAVG: 2688800 -2.06777 6.11974 -24.7662 7.3187 62.4314 -46.6584 -23.5041 -48.3573 -67.2216 TIMING: 2688800 CPU: 7802.23, 0.00289572/step Wall: 7802.23, 0.00289572/step, 1.85905 hours remaining, 208.128906 MB of memory in use. ENERGY: 2688800 736.6435 2111.8689 1964.9775 115.2843 -205914.4151 17714.6066 0.0000 0.0000 34070.1319 -149200.9023 297.5429 -183271.0343 -149106.8144 298.7242 -133.0629 -102.8289 557818.1389 -2.4421 -2.2860 PRESSURE: 2689000 -46.6023 153.365 -111.713 153.366 271.861 -140.583 -111.714 -140.583 24.9527 GPRESSURE: 2689000 13.804 95.6184 -116.969 89.1674 279.23 -188.069 -79.4778 -100.403 45.211 PRESSAVG: 2689000 45.2397 -12.2928 -24.5979 -12.2928 -1.31308 -53.9641 -24.5979 -53.964 -58.2315 GPRESSAVG: 2689000 45.836 -13.1741 -22.0983 -12.2767 -1.20877 -54.694 -26.3315 -53.0932 -59.003 TIMING: 2689000 CPU: 7802.81, 0.00289625/step Wall: 7802.81, 0.00289625/step, 1.85923 hours remaining, 208.398438 MB of memory in use. ENERGY: 2689000 759.9506 2106.9260 1976.2805 113.1017 -206397.3694 17916.6225 0.0000 0.0000 34319.5982 -149204.8898 299.7216 -183524.4880 -149108.7873 299.5027 83.4036 112.7484 557751.3994 -4.7683 -4.7919 PRESSURE: 2689200 -63.0892 -52.7489 59.6177 -52.7492 -128.91 7.24162 59.619 7.24059 -8.86779 GPRESSURE: 2689200 -8.65259 -58.1855 193.649 -86.3528 -128.994 3.04452 -14.2055 20.0479 29.5639 PRESSAVG: 2689200 -34.646 31.6219 7.62609 31.622 61.0144 -38.9872 7.62608 -38.9873 -22.2598 GPRESSAVG: 2689200 -34.6699 33.2399 4.78215 28.9631 60.4386 -38.2372 10.0435 -40.5429 -21.8826 TIMING: 2689200 CPU: 7803.39, 0.00288399/step Wall: 7803.39, 0.00288399/step, 1.8512 hours remaining, 208.398438 MB of memory in use. ENERGY: 2689200 792.9900 2081.8257 1944.7098 121.9730 -206015.4868 17730.0244 0.0000 0.0000 34130.9617 -149213.0020 298.0742 -183343.9638 -149115.7896 298.7681 -66.9558 -36.0274 557979.2048 1.3696 1.2954 PRESSURE: 2689400 -47.0733 101.45 -145.54 101.45 -24.8245 -1.33013 -145.54 -1.33067 -50.1165 GPRESSURE: 2689400 -19.363 139.739 -199.226 64.777 -30.179 49.0079 -81.678 11.2645 23.1783 PRESSAVG: 2689400 25.5814 -8.48052 20.1333 -8.48045 -61.7573 -24.1819 20.1334 -24.1818 95.7355 GPRESSAVG: 2689400 25.2879 -8.80293 19.6955 -4.96738 -60.8514 -25.9031 17.4921 -22.701 95.2528 TIMING: 2689400 CPU: 7803.97, 0.00289066/step Wall: 7803.97, 0.00289066/step, 1.85532 hours remaining, 208.398438 MB of memory in use. ENERGY: 2689400 705.7224 2112.7009 1958.8356 108.2525 -206179.3468 17779.3896 0.0000 0.0000 34240.5524 -149273.8934 299.0313 -183514.4458 -149174.7367 299.3894 -40.6715 -8.7879 558768.8571 19.8532 19.8965 PRESSURE: 2689600 37.7545 -25.6665 23.2673 -25.6664 27.5699 135.784 23.2669 135.785 16.6433 GPRESSURE: 2689600 123.018 -36.5345 96.3446 -121.621 73.6009 38.8527 -6.07213 174.555 -21.4122 PRESSAVG: 2689600 13.6041 -22.6878 8.61612 -22.6877 -45.2948 -37.4641 8.61612 -37.4641 26.7845 GPRESSAVG: 2689600 14.5014 -23.9628 6.46532 -24.3683 -46.3846 -36.2413 10.4058 -38.1927 26.3256 TIMING: 2689600 CPU: 7804.54, 0.00288203/step Wall: 7804.54, 0.00288203/step, 1.84962 hours remaining, 208.398438 MB of memory in use. ENERGY: 2689600 743.5761 2084.4285 1954.9176 107.4996 -206442.0899 17936.6982 0.0000 0.0000 34152.3334 -149462.6364 298.2608 -183614.9698 -149369.0616 298.9909 27.3226 58.4022 558330.4375 -1.6354 -1.8525 PRESSURE: 2689800 -2.00883 63.1911 113.803 63.1894 121.981 -99.994 113.803 -99.9935 -261.36 GPRESSURE: 2689800 80.179 133.383 142.98 -11.2026 127.222 -143.353 73.6035 -92.6012 -249.892 PRESSAVG: 2689800 43.7627 25.615 57.3452 25.615 -33.0383 -33.9075 57.3451 -33.9075 -2.80751 GPRESSAVG: 2689800 42.9516 27.4501 59.5515 24.5863 -33.4624 -33.921 56.5686 -34.7331 -1.85669 TIMING: 2689800 CPU: 7805.12, 0.00290262/step Wall: 7805.12, 0.00290262/step, 1.86267 hours remaining, 208.398438 MB of memory in use. ENERGY: 2689800 769.6581 2057.8589 1937.5453 107.4251 -206369.3962 17897.6786 0.0000 0.0000 34179.2660 -149419.9642 298.4960 -183599.2302 -149319.7634 297.7143 -47.1294 -14.1636 559201.7547 2.6390 2.5442 PRESSURE: 2690000 183.923 -33.2714 4.05566 -33.2716 -31.3978 156.661 4.05568 156.661 64.1154 GPRESSURE: 2690000 194.353 -57.1488 34.9138 22.2259 21.0189 94.1866 -35.1887 150.528 98.9757 PRESSAVG: 2690000 21.9931 -13.5568 19.1895 -13.5569 -16.0519 -17.7757 19.1895 -17.7758 9.91769 GPRESSAVG: 2690000 21.8569 -14.518 18.4501 -12.6468 -15.9313 -20.3926 19.2656 -15.6813 10.4525 TIMING: 2690000 CPU: 7805.71, 0.00290725/step Wall: 7805.71, 0.00290725/step, 1.86549 hours remaining, 208.398438 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: 2690000 720.3640 2094.1722 1945.3148 118.5478 -206336.8505 17763.2652 0.0000 0.0000 34365.6075 -149329.5790 300.1234 -183695.1865 -149237.7874 298.3946 72.2136 104.7824 556735.9376 5.2863 5.4594 PRESSURE: 2690200 -161.032 100.125 94.5263 100.124 -33.2803 -106.665 94.5254 -106.667 -179.376 GPRESSURE: 2690200 -199.811 -10.0344 195.369 113.623 25.0112 -53.4405 41.8525 -123.528 -107.925 PRESSAVG: 2690200 85.0486 44.1846 -13.9774 44.1846 -32.3866 -7.60321 -13.9774 -7.6031 -45.0402 GPRESSAVG: 2690200 84.2845 43.0701 -11.9506 44.4801 -31.2973 -5.60124 -15.6122 -8.96227 -45.4317 TIMING: 2690200 CPU: 7806.29, 0.00289627/step Wall: 7806.29, 0.00289627/step, 1.85828 hours remaining, 208.398438 MB of memory in use. ENERGY: 2690200 690.8102 2092.5596 1947.5558 118.2502 -205948.3207 17614.6946 0.0000 0.0000 34259.0857 -149225.3645 299.1931 -183484.4502 -149130.2397 299.1193 -124.5625 -94.2413 558742.4096 2.5406 2.5185 PRESSURE: 2690400 175.422 52.2618 155.436 52.2618 54.2665 -55.7151 155.435 -55.7148 167.36 GPRESSURE: 2690400 182.032 -21.8951 20.8913 95.0508 152.088 -135.655 154.492 -6.51976 152.833 PRESSAVG: 2690400 -55.8444 -4.49725 -47.6944 -4.49714 62.2727 -18.9159 -47.6945 -18.916 -12.1588 GPRESSAVG: 2690400 -54.5838 -5.31658 -50.2928 -2.73883 62.6599 -18.8982 -45.1282 -19.9644 -13.5148 TIMING: 2690400 CPU: 7806.86, 0.00287363/step Wall: 7806.86, 0.00287363/step, 1.8436 hours remaining, 208.398438 MB of memory in use. ENERGY: 2690400 727.1243 2050.3564 1960.9134 108.5185 -206185.6560 17853.9916 0.0000 0.0000 34318.2277 -149166.5241 299.7096 -183484.7518 -149072.8642 299.1472 132.3498 162.3178 556869.2421 -1.9102 -1.8129 PRESSURE: 2690600 -190.6 -58.6811 81.2577 -58.6805 -144.626 -150.701 81.2573 -150.702 -60.2154 GPRESSURE: 2690600 -153.256 -16.3688 50.0954 -17.3892 -114.121 -152.612 129.943 -162.508 -36.0964 PRESSAVG: 2690600 24.3643 12.6591 7.3102 12.6591 16.4638 2.08065 7.31027 2.08073 -5.92533 GPRESSAVG: 2690600 25.0032 16.6098 7.90072 8.93569 15.4555 2.79311 7.41389 2.27154 -5.62116 TIMING: 2690600 CPU: 7807.44, 0.00287772/step Wall: 7807.44, 0.00287772/step, 1.84606 hours remaining, 208.398438 MB of memory in use. ENERGY: 2690600 746.3137 2064.2033 1968.6434 122.3405 -205846.9734 17706.0737 0.0000 0.0000 34139.0857 -149100.3131 298.1451 -183239.3988 -149017.4238 299.7091 -131.8138 -101.1580 558613.7421 11.6342 11.6125 PRESSURE: 2690800 -91.1683 -129.957 -149.751 -129.957 -191.929 5.53726 -149.75 5.53794 -75.3869 GPRESSURE: 2690800 -26.2012 -125.807 -158.646 -72.6446 -172.457 -57.0991 -126.293 12.0561 -73.4641 PRESSAVG: 2690800 102.404 19.8905 16.3225 19.8905 -1.25805 -15.7281 16.3226 -15.7281 -41.4905 GPRESSAVG: 2690800 101.619 19.2428 15.5766 20.5181 -0.914376 -16.3302 15.9655 -14.8338 -41.5015 TIMING: 2690800 CPU: 7808.01, 0.00289388/step Wall: 7808.01, 0.00289388/step, 1.85627 hours remaining, 208.398438 MB of memory in use. ENERGY: 2690800 709.5080 2057.2760 1979.6845 109.1147 -206089.0330 17771.1747 0.0000 0.0000 34384.2324 -149078.0428 300.2861 -183462.2751 -148985.6762 299.4007 -119.4948 -90.7074 558288.1498 19.8850 19.7345 PRESSURE: 2691000 -147.092 6.44885 83.0479 6.44917 -100.379 59.9715 83.0476 59.9727 -39.7932 GPRESSURE: 2691000 -188.152 -18.0308 189.075 -24.7581 -38.19 82.5159 47.2284 76.6757 28.3831 PRESSAVG: 2691000 -38.0987 -10.1666 -35.8047 -10.1666 29.1881 11.5391 -35.8046 11.5392 9.95279 GPRESSAVG: 2691000 -38.3807 -11.0874 -34.0228 -10.9455 29.0732 11.8785 -36.3183 11.9507 10.4979 TIMING: 2691000 CPU: 7808.59, 0.00288113/step Wall: 7808.59, 0.00288113/step, 1.84793 hours remaining, 208.398438 MB of memory in use. ENERGY: 2691000 755.0460 2072.5119 1955.1428 118.4888 -206082.3665 17708.9349 0.0000 0.0000 34361.6442 -149110.5980 300.0888 -183472.2422 -149017.6009 299.3988 -95.7549 -65.9862 556278.2471 0.3474 0.3968 PRESSURE: 2691200 -84.23 -228.286 60.9862 -228.286 18.5422 108.375 60.9857 108.374 33.7586 GPRESSURE: 2691200 -54.8669 -256.677 60.4649 -244.584 29.8018 41.3104 25.1019 205.048 79.675 PRESSAVG: 2691200 -115.893 28.476 6.14154 28.476 76.1778 9.54298 6.14158 9.54292 37.2234 GPRESSAVG: 2691200 -117.015 26.9663 4.30352 31.3331 77.1273 10.9479 7.17042 8.27006 37.8471 TIMING: 2691200 CPU: 7809.17, 0.00287963/step Wall: 7809.17, 0.00287963/step, 1.8468 hours remaining, 208.398438 MB of memory in use. ENERGY: 2691200 780.2979 2069.6481 1982.9420 129.2159 -205930.5319 17680.0869 0.0000 0.0000 34213.6528 -149074.6883 298.7963 -183288.3411 -148989.8434 298.8099 -10.6430 18.2033 557456.8592 -0.8307 -0.6801 PRESSURE: 2691400 151.669 67.9584 43.4345 67.9581 -98.8642 -133.973 43.4339 -133.974 -94.7699 GPRESSURE: 2691400 113.696 78.8551 41.165 48.0807 -64.4965 -76.3921 56.5995 -204.881 0.718232 PRESSAVG: 2691400 14.6816 -45.3075 -22.8127 -45.3075 19.8933 -36.3713 -22.8128 -36.3712 -20.5105 GPRESSAVG: 2691400 16.7389 -43.0666 -19.6656 -48.0306 18.9689 -36.5593 -23.3643 -37.1597 -21.9626 TIMING: 2691400 CPU: 7809.75, 0.00289541/step Wall: 7809.75, 0.00289541/step, 1.85676 hours remaining, 208.398438 MB of memory in use. ENERGY: 2691400 789.5844 2079.9600 1969.9564 113.9819 -206265.6267 17732.7002 0.0000 0.0000 34375.0385 -149204.4053 300.2058 -183579.4438 -149120.6085 299.1759 -13.9884 16.6393 556748.9962 4.6881 4.5817 PRESSURE: 2691600 33.4851 -206.613 -3.52654 -206.613 -75.9648 23.7008 -3.52509 23.7007 -121.951 GPRESSURE: 2691600 87.0993 -178.984 62.209 -236.96 -65.3744 146.897 -94.0026 -10.2586 -99.2046 PRESSAVG: 2691600 30.6602 -25.7342 22.7476 -25.7342 44.3376 -2.33759 22.7476 -2.33757 -82.4675 GPRESSAVG: 2691600 29.4317 -27.9759 23.2314 -24.1547 45.1143 -3.84252 20.5408 -0.991124 -82.586 TIMING: 2691600 CPU: 7810.32, 0.00287114/step Wall: 7810.32, 0.00287114/step, 1.84104 hours remaining, 208.398438 MB of memory in use. ENERGY: 2691600 733.3660 2076.2861 1989.8451 123.1828 -206299.4688 17777.0430 0.0000 0.0000 34467.8299 -149131.9158 301.0161 -183599.7457 -149033.6016 300.3241 -54.8102 -25.8266 558307.1116 -2.4899 -2.6800 PRESSURE: 2691800 15.0834 186.162 129.992 186.162 -73.1998 -43.7182 129.99 -43.7198 -267.99 GPRESSURE: 2691800 25.2257 164.131 173.197 171.848 -56.3205 -70.4039 86.4836 -5.06505 -202.76 PRESSAVG: 2691800 85.0499 -41.8299 10.0796 -41.8298 -21.1918 27.26 10.0796 27.2599 -63.854 GPRESSAVG: 2691800 86.768 -41.0804 7.22167 -41.481 -22.958 28.7248 10.5438 26.4051 -63.4056 TIMING: 2691800 CPU: 7810.9, 0.00288332/step Wall: 7810.9, 0.00288332/step, 1.84869 hours remaining, 208.398438 MB of memory in use. ENERGY: 2691800 778.9006 2032.4905 1986.1366 121.5072 -206033.9655 17707.3015 0.0000 0.0000 34130.2957 -149277.3334 298.0684 -183407.6291 -149194.3085 298.7877 -108.7021 -77.9516 557426.0961 0.0014 0.1348 PRESSURE: 2692000 97.1757 168.972 -20.1711 168.971 152.174 125.928 -20.1693 125.926 184.992 GPRESSURE: 2692000 133.44 89.7677 -45.5491 212.609 196.145 116.951 41.3187 109.648 195.249 PRESSAVG: 2692000 41.2077 43.6442 -24.5338 43.6441 18.9139 28.985 -24.5338 28.985 -76.5697 GPRESSAVG: 2692000 41.0803 42.0657 -22.2334 45.6788 20.3034 30.2859 -25.136 28.5555 -77.4221 TIMING: 2692000 CPU: 7811.48, 0.00289783/step Wall: 7811.48, 0.00289783/step, 1.85783 hours remaining, 208.398438 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: 2692000 744.7627 2039.5989 1967.1443 102.0022 -206579.8958 18046.0010 0.0000 0.0000 34310.3887 -149369.9980 299.6412 -183680.3868 -149278.0103 298.8633 144.7807 174.9448 557966.3732 -5.4827 -5.3461 PRESSURE: 2692200 89.6938 18.9604 -92.5928 18.9617 136.547 16.385 -92.5928 16.3848 -33.8607 GPRESSURE: 2692200 127.531 1.12678 -77.3947 -40.283 206.605 -9.88841 -87.6821 -4.22805 -40.7525 PRESSAVG: 2692200 -13.4054 20.5584 39.6455 20.5585 12.13 2.82942 39.6455 2.82935 7.10667 GPRESSAVG: 2692200 -14.0114 22.8775 38.0109 17.5569 12.6805 1.14832 41.7471 3.05234 6.98015 TIMING: 2692200 CPU: 7812.06, 0.00290411/step Wall: 7812.06, 0.00290411/step, 1.86169 hours remaining, 208.398438 MB of memory in use. ENERGY: 2692200 763.0825 2051.0687 1995.1810 125.5217 -206547.0239 18097.3788 0.0000 0.0000 34158.4667 -149356.3245 298.3144 -183514.7912 -149258.7272 299.6137 64.1266 97.7945 556855.3442 1.9438 1.8831 LDB: ============= START OF LOAD BALANCING ============== 7815.52 LDB: ============== END OF LOAD BALANCING =============== 7815.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7815.52 LDB: ============= START OF LOAD BALANCING ============== 7815.81 LDB: Largest compute 4821 load 0.031081 is 26.4% of average load 0.117752 LDB: Average compute 0.001711 is 1.5% of average load 0.117752 LDB: TIME 7815.81 LOAD: AVG 0.117752 MAX 0.178622 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 7815.81 LOAD: AVG 0.117752 MAX 0.178622 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: TIME 7815.81 LOAD: AVG 0.117752 MAX 0.178622 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7815.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7815.82 PRESSURE: 2692400 22.8279 -5.86575 -206.044 -5.86508 151.095 -71.1178 -206.044 -71.1167 58.6516 GPRESSURE: 2692400 73.4334 70.7946 -216.733 -57.849 148.637 -30.2582 -201.22 -40.6785 114.254 PRESSAVG: 2692400 65.0905 -6.66771 10.3186 -6.6677 4.36106 33.8347 10.3185 33.8347 -52.4799 GPRESSAVG: 2692400 65.0969 -5.76018 11.5797 -6.58951 2.83463 35.039 8.76767 33.0897 -51.2687 TIMING: 2692400 CPU: 7812.65, 0.00294137/step Wall: 7812.65, 0.00294137/step, 1.88542 hours remaining, 205.816406 MB of memory in use. ENERGY: 2692400 750.1379 2022.9006 1961.4173 114.0260 -206620.2942 18208.6560 0.0000 0.0000 34127.2499 -149435.9064 298.0418 -183563.1563 -149341.8325 299.0586 77.5250 112.1079 557285.8677 5.6572 5.5543 PRESSURE: 2692600 -170.585 77.8245 3.32216 77.8253 108.421 -103.83 3.32242 -103.829 -148.659 GPRESSURE: 2692600 -88.1062 98.4637 -53.6085 165.448 99.5748 -49.8739 -6.39404 -148.646 -127.99 PRESSAVG: 2692600 63.1342 -13.4605 -12.9943 -13.4606 -22.2422 -60.7807 -12.9943 -60.7807 -16.0293 GPRESSAVG: 2692600 63.3809 -15.0749 -13.8709 -12.2121 -22.0218 -63.842 -12.6615 -58.4149 -16.5637 TIMING: 2692600 CPU: 7813.22, 0.00288144/step Wall: 7813.22, 0.00288144/step, 1.84684 hours remaining, 205.816406 MB of memory in use. ENERGY: 2692600 758.1870 2038.2416 1968.6528 131.8836 -206419.1865 17853.0605 0.0000 0.0000 34024.8355 -149644.3254 297.1474 -183669.1610 -149549.2390 297.9148 -70.2739 -38.8405 557528.9186 8.2876 8.2651 PRESSURE: 2692800 115.262 20.5546 -182.196 20.5549 -74.5078 136.075 -182.196 136.074 332.416 GPRESSURE: 2692800 187.418 0.247605 -150.799 -1.24568 -59.5417 73.3242 -154.076 128.024 345.935 PRESSAVG: 2692800 14.2768 72.9168 -57.5275 72.9169 -60.0734 -12.9671 -57.5276 -12.9671 87.2123 GPRESSAVG: 2692800 14.1189 74.7925 -57.5991 71.2274 -59.8812 -13.8817 -56.8198 -12.4734 87.0182 TIMING: 2692800 CPU: 7813.8, 0.00289459/step Wall: 7813.8, 0.00289459/step, 1.85511 hours remaining, 205.816406 MB of memory in use. ENERGY: 2692800 808.3133 2055.2952 1977.9177 101.7043 -206879.9845 18272.5006 0.0000 0.0000 34129.2616 -149534.9917 298.0593 -183664.2533 -149438.5281 298.1006 124.3901 157.9373 556447.9568 13.8052 13.7520 PRESSURE: 2693000 11.938 62.326 11.6088 62.3252 -136.733 148.918 11.6079 148.918 211.332 GPRESSURE: 2693000 30.127 64.0985 -32.6407 46.3669 -90.9984 179.069 -9.43292 153.691 242.301 PRESSAVG: 2693000 19.214 74.4116 16.1881 74.4117 -20.0851 -12.8099 16.188 -12.8099 9.26223 GPRESSAVG: 2693000 18.5357 72.0451 15.9829 77.0322 -19.8263 -10.1473 16.1874 -14.9507 10.1599 TIMING: 2693000 CPU: 7814.38, 0.00289691/step Wall: 7814.38, 0.00289691/step, 1.85644 hours remaining, 205.816406 MB of memory in use. ENERGY: 2693000 757.4884 2099.0288 1970.9139 97.3288 -206560.9419 17967.2376 0.0000 0.0000 34152.8423 -149516.1021 298.2653 -183668.9444 -149425.3146 297.7920 28.8457 60.4765 558108.0774 2.7971 2.9564 PRESSURE: 2693200 -5.56708 90.6258 30.2691 90.6256 3.67126 -129.426 30.2699 -129.426 128.893 GPRESSURE: 2693200 59.6089 108.981 99.9226 157.182 -12.7731 -129.417 70.045 -117.293 165.836 PRESSAVG: 2693200 32.5202 43.232 -45.7977 43.232 -24.2958 -13.5228 -45.7976 -13.5229 2.6964 GPRESSAVG: 2693200 33.2472 41.4404 -46.0056 42.8457 -24.4464 -12.1782 -45.4131 -14.4735 2.74075 TIMING: 2693200 CPU: 7814.96, 0.00289364/step Wall: 7814.96, 0.00289364/step, 1.85418 hours remaining, 206.019531 MB of memory in use. ENERGY: 2693200 718.7342 2032.7871 2001.8730 98.5559 -206553.8607 17963.9269 0.0000 0.0000 34341.8813 -149396.1022 299.9162 -183737.9836 -149303.7575 298.3594 42.3323 70.8908 558075.6099 3.6403 3.8472 PRESSURE: 2693400 -61.1014 92.474 44.5141 92.4739 87.2435 -303.246 44.513 -303.247 -81.6132 GPRESSURE: 2693400 -31.7041 114.779 -14.8573 110.276 105.147 -330.844 33.8771 -311.39 -42.0196 PRESSAVG: 2693400 -5.72727 47.8121 31.2914 47.8121 -0.860871 -57.5971 31.2913 -57.597 8.69553 GPRESSAVG: 2693400 -6.72973 49.7753 33.4961 46.5434 0.150633 -59.8628 30.3723 -56.4449 8.89026 TIMING: 2693400 CPU: 7815.53, 0.00288043/step Wall: 7815.53, 0.00288043/step, 1.84555 hours remaining, 206.019531 MB of memory in use. ENERGY: 2693400 720.0581 2122.3744 1973.8248 100.5151 -206111.9523 17717.0023 0.0000 0.0000 34080.8039 -149397.3737 297.6361 -183478.1776 -149302.8997 298.4783 -18.4904 10.4744 557491.2579 0.7025 0.7704 PRESSURE: 2693600 332.802 -60.5931 77.1596 -60.5926 217.484 101.632 77.1589 101.633 -134.563 GPRESSURE: 2693600 349.549 -15.2841 237.921 -15.0307 278.046 98.7607 33.2214 125.728 -118.885 PRESSAVG: 2693600 -10.1686 -1.69421 40.4651 -1.69423 12.1051 16.0278 40.4651 16.0278 -16.1065 GPRESSAVG: 2693600 -10.0536 -0.017644 40.0039 -0.857874 12.2956 14.6382 39.1709 17.1331 -16.5942 TIMING: 2693600 CPU: 7816.11, 0.00287133/step Wall: 7816.11, 0.00287133/step, 1.83957 hours remaining, 206.019531 MB of memory in use. ENERGY: 2693600 744.2082 2104.4310 1971.7094 111.7052 -206559.8715 18031.2700 0.0000 0.0000 34184.6600 -149411.8878 298.5431 -183596.5477 -149317.1616 297.6743 138.5740 169.5700 556627.3807 -4.7233 -4.7841 PRESSURE: 2693800 65.5942 -32.4464 -66.0171 -32.4447 -250.186 -88.0293 -66.0177 -88.0306 -146.112 GPRESSURE: 2693800 84.4168 -4.09459 -29.4253 -92.575 -194.481 -57.8974 -44.1708 -91.4706 -116.484 PRESSAVG: 2693800 30.3062 -28.009 32.7193 -28.009 1.90619 -25.053 32.7193 -25.0529 -75.6754 GPRESSAVG: 2693800 30.8094 -28.3503 32.4578 -28.3146 0.610426 -24.6999 35.6686 -24.7354 -74.9585 TIMING: 2693800 CPU: 7816.69, 0.00288713/step Wall: 7816.69, 0.00288713/step, 1.84953 hours remaining, 206.019531 MB of memory in use. ENERGY: 2693800 752.3967 2065.3284 1930.2096 122.9227 -206218.4785 17630.7118 0.0000 0.0000 34229.8585 -149487.0507 298.9379 -183716.9092 -149386.7855 298.7037 -110.2345 -75.5161 557778.5397 -14.4877 -14.5129 PRESSURE: 2694000 -122.631 -95.0204 33.8872 -95.0204 -102.438 73.004 33.8877 73.003 -187.667 GPRESSURE: 2694000 -107.677 -45.8269 49.6926 -174.561 -72.4685 151.328 62.2345 -0.0778552 -135.433 PRESSAVG: 2694000 2.33422 -29.7382 35.0261 -29.7383 48.4211 18.5956 35.0261 18.5956 -27.0233 GPRESSAVG: 2694000 2.00519 -31.1167 34.2523 -29.2136 49.5804 19.3696 33.9181 18.0864 -27.7837 TIMING: 2694000 CPU: 7817.26, 0.00287645/step Wall: 7817.26, 0.00287645/step, 1.84253 hours remaining, 206.019531 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: 2694000 786.1168 2125.1946 1954.9309 117.2998 -205938.3756 17385.5838 0.0000 0.0000 34137.2558 -149431.9939 298.1291 -183569.2496 -149332.1043 298.6936 -137.5786 -105.1928 557305.9557 7.9107 7.9340 PRESSURE: 2694200 -151.728 142.064 28.467 142.065 -284.645 47.2009 28.4666 47.1992 -357.677 GPRESSURE: 2694200 -138.071 175.458 32.8213 76.8682 -245.851 45.5406 42.1353 52.5151 -315.309 PRESSAVG: 2694200 26.6863 -49.5512 -5.96382 -49.5513 -17.6521 7.41343 -5.96377 7.41338 10.1077 GPRESSAVG: 2694200 27.5834 -48.0187 -6.25414 -48.9631 -19.3552 8.16076 -6.06227 6.09746 11.1505 TIMING: 2694200 CPU: 7817.84, 0.00290221/step Wall: 7817.84, 0.00290221/step, 1.85886 hours remaining, 206.019531 MB of memory in use. ENERGY: 2694200 755.9533 2095.8650 1978.6372 117.4533 -205906.4958 17319.3071 0.0000 0.0000 34079.4108 -149559.8691 297.6240 -183639.2799 -149469.6699 297.4251 -264.6834 -233.0769 557806.0599 6.3806 6.4596 PRESSURE: 2694400 -233.938 -143.841 278.536 -143.841 -17.7222 61.6556 278.537 61.6548 5.15747 GPRESSURE: 2694400 -170.843 -123.899 293.6 -141.314 -3.00245 56.3623 224.121 93.691 18.8884 PRESSAVG: 2694400 -4.75706 -26.4914 5.25648 -26.4916 7.29725 42.6761 5.25647 42.6762 38.8793 GPRESSAVG: 2694400 -5.73064 -25.8399 5.62392 -27.0745 8.60697 41.8862 6.42981 44.3383 38.809 TIMING: 2694400 CPU: 7818.42, 0.00289768/step Wall: 7818.42, 0.00289768/step, 1.85581 hours remaining, 206.019531 MB of memory in use. ENERGY: 2694400 693.5825 2055.9706 1950.9916 106.0805 -205907.6378 17474.0173 0.0000 0.0000 34076.4355 -149550.5599 297.5980 -183626.9954 -149443.2901 298.1072 -82.1675 -51.6524 558502.0469 13.8065 13.8951 PRESSURE: 2694600 9.88366 74.2866 -20.697 74.2879 -27.6507 -66.5877 -20.6971 -66.588 -57.5538 GPRESSURE: 2694600 69.2358 83.4482 31.4312 91.4644 -49.5401 -119.996 -48.4808 -159.172 -1.6634 PRESSAVG: 2694600 12.3175 -19.3805 20.2506 -19.3805 25.9516 11.1004 20.2508 11.1003 -11.7887 GPRESSAVG: 2694600 13.604 -18.8715 20.0734 -19.8182 24.9962 9.85551 19.56 9.48644 -11.9915 TIMING: 2694600 CPU: 7819, 0.00291068/step Wall: 7819, 0.00291068/step, 1.86397 hours remaining, 206.082031 MB of memory in use. ENERGY: 2694600 749.6001 2116.0287 1977.5962 115.6376 -206816.3978 18014.0098 0.0000 0.0000 34200.0956 -149643.4299 298.6779 -183843.5255 -149549.7055 298.5832 -25.1069 6.0108 558923.8728 8.8268 8.8696 PRESSURE: 2694800 75.7927 -111.213 54.5336 -111.214 -304.924 -56.5232 54.5341 -56.5233 -49.7089 GPRESSURE: 2694800 119.961 -64.3697 87.7573 -69.96 -289.523 -130.91 101.211 -94.3787 -22.5393 PRESSAVG: 2694800 48.3549 44.9109 59.0309 44.9108 -26.1497 -32.1105 59.0308 -32.1105 -29.345 GPRESSAVG: 2694800 47.0993 43.3694 58.104 45.4931 -25.063 -31.688 59.5767 -31.0628 -29.4492 TIMING: 2694800 CPU: 7819.59, 0.00292174/step Wall: 7819.59, 0.00292174/step, 1.87088 hours remaining, 206.082031 MB of memory in use. ENERGY: 2694800 733.7695 2130.5327 1933.9674 132.8947 -206280.1481 17561.1626 0.0000 0.0000 34138.3809 -149649.4403 298.1390 -183787.8212 -149549.5014 298.1601 -92.9466 -64.0338 558034.7994 -2.3799 -2.4710 PRESSURE: 2695000 -258.25 44.234 -39.3081 44.2357 35.3618 -78.2061 -39.3089 -78.2052 44.4743 GPRESSURE: 2695000 -212.974 60.2815 -2.01282 133.401 36.7412 -98.8702 -70.7516 -153.686 93.9431 PRESSAVG: 2695000 -5.61392 6.52332 39.8109 6.52325 -32.7824 -2.09708 39.811 -2.097 -2.68683 GPRESSAVG: 2695000 -7.76706 6.23506 40.7142 7.44211 -31.2228 -1.41508 39.7285 -1.65075 -2.02642 TIMING: 2695000 CPU: 7820.17, 0.00289731/step Wall: 7820.17, 0.00289731/step, 1.85508 hours remaining, 206.082031 MB of memory in use. ENERGY: 2695000 732.1863 2122.1688 1968.7717 123.2081 -206720.3310 17895.8917 0.0000 0.0000 34178.4641 -149699.6402 298.4890 -183878.1043 -149589.5313 298.3471 -59.4713 -27.4300 557261.0068 -13.6944 -13.6721 PRESSURE: 2695200 100.206 -29.5956 -23.2531 -29.595 -94.3344 104.059 -23.2526 104.059 -57.6987 GPRESSURE: 2695200 123.748 -120.222 -70.701 -38.3945 -63.9076 236.024 3.25035 5.57302 -10.9731 PRESSAVG: 2695200 64.9471 -12.8755 23.2569 -12.8754 12.3313 15.4033 23.2569 15.4034 -49.2235 GPRESSAVG: 2695200 65.7954 -14.0523 24.1662 -12.6651 12.0492 15.9155 22.418 15.3727 -49.481 TIMING: 2695200 CPU: 7820.75, 0.00289689/step Wall: 7820.75, 0.00289689/step, 1.85465 hours remaining, 206.082031 MB of memory in use. ENERGY: 2695200 766.6491 2133.2358 1963.1603 117.8157 -206708.7625 17959.2585 0.0000 0.0000 34262.1428 -149506.5002 299.2198 -183768.6430 -149408.7274 298.5101 -17.2758 16.2892 556808.5617 9.3516 9.4545 PRESSURE: 2695400 -111.968 15.6805 -120.015 15.6805 166.178 -146.49 -120.015 -146.491 -135.917 GPRESSURE: 2695400 -63.9101 -64.9821 -73.2078 24.0137 156.093 -2.98392 -138.45 -140.778 -80.0022 PRESSAVG: 2695400 -30.8525 35.6456 -5.92401 35.6455 41.8098 35.8713 -5.92406 35.8713 -28.3505 GPRESSAVG: 2695400 -30.2544 35.1274 -8.13335 34.4561 40.9273 34.2826 -6.03315 36.1745 -27.9393 TIMING: 2695400 CPU: 7821.32, 0.00285787/step Wall: 7821.32, 0.00285787/step, 1.82951 hours remaining, 206.082031 MB of memory in use. ENERGY: 2695400 737.9688 2142.6648 1958.6946 109.3247 -206533.6649 17848.4990 0.0000 0.0000 34214.4628 -149522.0502 298.8034 -183736.5130 -149427.5880 298.6453 -27.2356 4.0603 556760.5944 -5.7977 -5.7555 PRESSURE: 2695600 42.5349 44.028 21.4665 44.0286 129.535 98.4045 21.4659 98.4048 -21.2054 GPRESSURE: 2695600 35.8392 -27.4019 18.3632 188.306 148.408 168.041 111.198 36.3703 53.7209 PRESSAVG: 2695600 -86.8996 19.7641 -30.0469 19.7642 32.2848 32.5884 -30.0469 32.5885 28.5214 GPRESSAVG: 2695600 -85.8625 21.7996 -29.3134 18.9199 32.3583 32.0378 -29.2437 32.3058 27.1511 TIMING: 2695600 CPU: 7821.9, 0.00290197/step Wall: 7821.9, 0.00290197/step, 1.85758 hours remaining, 206.082031 MB of memory in use. ENERGY: 2695600 721.4039 2103.3924 1955.4225 111.6572 -206407.8996 17890.5451 0.0000 0.0000 33993.2866 -149632.1919 296.8718 -183625.4785 -149538.5877 298.0865 50.2881 79.3228 557219.4526 -8.6978 -8.7844 PRESSURE: 2695800 -98.3974 16.4159 -55.9917 16.4164 80.0402 219.059 -55.9925 219.058 -281.501 GPRESSURE: 2695800 -74.9003 -26.6672 -75.3553 109.396 110.201 155.378 -24.4086 165.833 -240.896 PRESSAVG: 2695800 -6.76853 18.9722 -36.002 18.9722 -3.69291 23.1484 -36.002 23.1483 17.46 GPRESSAVG: 2695800 -7.9504 19.9476 -34.9417 19.4689 -4.10434 24.1825 -36.8567 21.9856 18.4002 TIMING: 2695800 CPU: 7822.48, 0.00291041/step Wall: 7822.48, 0.00291041/step, 1.86282 hours remaining, 206.082031 MB of memory in use. ENERGY: 2695800 751.9912 2076.3285 1935.0168 117.8788 -206202.0406 17686.6882 0.0000 0.0000 34057.4112 -149576.7260 297.4318 -183634.1371 -149481.3867 297.4758 -99.9526 -68.5320 557676.0870 2.3329 2.1152 PRESSURE: 2696000 -69.8361 -48.0316 -32.7362 -48.0318 -221.956 84.5377 -32.7376 84.5387 -31.9729 GPRESSURE: 2696000 -38.3068 -35.7363 -27.4977 -29.0708 -131.963 171.057 27.79 41.9391 -40.7749 PRESSAVG: 2696000 33.9479 11.6491 9.31072 11.6491 1.96606 24.3815 9.3108 24.3817 -55.9194 GPRESSAVG: 2696000 34.0413 9.66895 9.91389 12.723 2.40455 25.6531 9.48772 24.0038 -56.1331 TIMING: 2696000 CPU: 7823.06, 0.00290912/step Wall: 7823.06, 0.00290912/step, 1.86183 hours remaining, 206.082031 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: 2696000 751.6272 2077.4420 1938.4204 107.5861 -206215.5636 17682.5515 0.0000 0.0000 34199.3899 -149458.5467 298.6718 -183657.9366 -149360.8811 298.0731 -107.9216 -70.3483 557334.4896 -6.6685 -6.5624 PRESSURE: 2696200 -121.696 -17.6541 -20.1993 -17.6542 -22.1665 -235.907 -20.1998 -235.908 -75.6795 GPRESSURE: 2696200 -83.4023 20.6133 -39.3478 -80.2601 16.0562 -173.907 -13.4988 -241.75 -51.2257 PRESSAVG: 2696200 -36.4488 14.0728 -12.6093 14.0728 38.3464 27.659 -12.6094 27.6589 -31.1446 GPRESSAVG: 2696200 -36.5456 16.5847 -14.1768 11.4916 37.0223 27.5825 -11.4882 28.1651 -29.8228 TIMING: 2696200 CPU: 7823.64, 0.00289977/step Wall: 7823.64, 0.00289977/step, 1.85569 hours remaining, 206.082031 MB of memory in use. ENERGY: 2696200 732.1473 2097.2765 1970.7911 127.1723 -206015.3460 17542.8859 0.0000 0.0000 33987.7269 -149557.3460 296.8233 -183545.0729 -149457.6161 297.4154 -73.1807 -39.5239 556919.8003 -9.7490 -9.7820 LDB: ============= START OF LOAD BALANCING ============== 7827.11 LDB: ============== END OF LOAD BALANCING =============== 7827.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7827.11 LDB: ============= START OF LOAD BALANCING ============== 7827.4 LDB: Largest compute 4821 load 0.032193 is 27.3% of average load 0.117834 LDB: Average compute 0.001717 is 1.5% of average load 0.117834 LDB: TIME 7827.41 LOAD: AVG 0.117834 MAX 0.179885 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.422 MB LDB: TIME 7827.41 LOAD: AVG 0.117834 MAX 0.179885 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: TIME 7827.41 LOAD: AVG 0.117834 MAX 0.179885 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7827.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7827.41 PRESSURE: 2696400 74.0916 156.467 18.8762 156.468 -143.131 51.7282 18.8762 51.7272 -75.1948 GPRESSURE: 2696400 26.7243 72.3792 -33.044 227.276 -64.5518 19.8877 -2.14776 37.8954 -7.86281 PRESSAVG: 2696400 0.572215 98.584 20.625 98.5839 -16.2098 62.1411 20.625 62.1411 -19.191 GPRESSAVG: 2696400 0.0565279 97.5074 22.725 100.239 -14.2308 60.9665 18.2867 61.4024 -20.5138 TIMING: 2696400 CPU: 7824.24, 0.00296662/step Wall: 7824.24, 0.00296662/step, 1.89831 hours remaining, 207.421875 MB of memory in use. ENERGY: 2696400 704.9765 2093.4759 1961.8012 116.0130 -206546.4907 17888.5554 0.0000 0.0000 34142.2777 -149639.3911 298.1730 -183781.6687 -149549.4691 298.2156 -48.0779 -15.2301 556734.9618 -11.6095 -11.5627 PRESSURE: 2696600 -407.24 71.6013 78.5569 71.6025 -79.7747 134.499 78.5564 134.498 26.4784 GPRESSURE: 2696600 -332.689 115.519 137.263 -8.22056 -78.439 174.261 76.2425 72.6376 47.7894 PRESSAVG: 2696600 14.589 12.5087 25.7392 12.5086 -13.7168 44.9156 25.7392 44.9155 16.6583 GPRESSAVG: 2696600 15.3435 12.8807 24.9583 10.6286 -14.7915 44.4763 27.1219 47.3909 16.7764 TIMING: 2696600 CPU: 7824.82, 0.00290463/step Wall: 7824.82, 0.00290463/step, 1.85848 hours remaining, 207.617188 MB of memory in use. ENERGY: 2696600 746.1367 2144.4283 1946.3704 100.6113 -206593.3920 17787.3848 0.0000 0.0000 34273.3335 -149595.1270 299.3175 -183868.4604 -149499.3745 297.9993 -153.5122 -121.1129 557589.0557 5.8435 5.7761 PRESSURE: 2696800 28.8869 49.5188 -186.761 49.5203 173.607 -40.6565 -186.76 -40.6571 -62.448 GPRESSURE: 2696800 48.1271 130.096 -325.005 23.9889 195.107 -71.9003 -83.7127 -1.60654 -5.87826 PRESSAVG: 2696800 3.37072 13.0033 -43.6365 13.0033 -53.6747 4.51229 -43.6366 4.51224 35.1299 GPRESSAVG: 2696800 3.7778 12.8313 -43.9299 15.4945 -54.1913 5.04315 -43.3135 3.30046 34.9578 TIMING: 2696800 CPU: 7825.4, 0.00289598/step Wall: 7825.4, 0.00289598/step, 1.85278 hours remaining, 207.617188 MB of memory in use. ENERGY: 2696800 774.4130 2113.9710 1952.8041 105.2866 -206993.7690 18205.8452 0.0000 0.0000 34202.7330 -149638.7160 298.7010 -183841.4491 -149540.1701 298.5449 46.6820 79.1187 555887.9957 -5.0580 -5.1519 PRESSURE: 2697000 151.813 14.8946 -62.1924 14.8952 126.526 -101.568 -62.1928 -101.568 -158.291 GPRESSURE: 2697000 196.017 -9.06292 -45.6039 38.1718 129.953 -145.679 -80.7396 -89.4596 -111.759 PRESSAVG: 2697000 10.721 -13.0601 -31.9176 -13.0601 -24.2826 -59.9 -31.9176 -59.9 13.4106 GPRESSAVG: 2697000 9.04218 -14.0746 -32.3477 -12.1081 -22.3963 -61.142 -30.2079 -57.7461 12.7722 TIMING: 2697000 CPU: 7825.97, 0.00287293/step Wall: 7825.97, 0.00287293/step, 1.83787 hours remaining, 207.617188 MB of memory in use. ENERGY: 2697000 729.0233 2100.0568 1953.4551 131.2320 -206386.3097 17788.0482 0.0000 0.0000 34107.7449 -149576.7495 297.8714 -183684.4944 -149479.1148 297.9799 40.0162 71.4036 555220.6356 -0.0503 -0.1940 PRESSURE: 2697200 3.22733 171.77 -14.0304 171.77 113.323 102.738 -14.032 102.738 -204.509 GPRESSURE: 2697200 85.4713 145.364 32.9563 154.744 78.2729 98.0657 3.60794 103.155 -160.97 PRESSAVG: 2697200 -2.17486 38.8841 44.8238 38.8841 -3.05882 -82.3717 44.8237 -82.3717 11.5569 GPRESSAVG: 2697200 -0.43819 39.8619 43.4578 37.6646 -4.70721 -82.7768 42.2604 -84.5097 11.2619 TIMING: 2697200 CPU: 7826.55, 0.00291061/step Wall: 7826.55, 0.00291061/step, 1.86182 hours remaining, 207.617188 MB of memory in use. ENERGY: 2697200 760.2013 2021.8784 1945.4138 112.4412 -206276.8816 17711.8778 0.0000 0.0000 34277.0954 -149447.9738 299.3504 -183725.0692 -149351.9155 298.4122 -29.3195 0.9247 554759.8635 2.1078 2.0388 PRESSURE: 2697400 94.647 18.8442 -92.4532 18.8448 -40.0533 8.51067 -92.4532 8.50916 46.883 GPRESSURE: 2697400 124.887 -57.8509 -144.817 115.023 -19.0007 -10.3084 -90.9683 -26.355 88.8047 PRESSAVG: 2697400 -11.905 -3.05491 30.5768 -3.05503 71.4395 46.4525 30.5768 46.4525 -29.1936 GPRESSAVG: 2697400 -13.3808 -3.35358 31.5267 -3.33562 71.5332 47.1661 31.8586 47.8991 -27.9729 TIMING: 2697400 CPU: 7827.13, 0.00288832/step Wall: 7827.13, 0.00288832/step, 1.8474 hours remaining, 207.859375 MB of memory in use. ENERGY: 2697400 756.7449 2056.5824 1948.0429 106.0696 -206421.7333 17879.3557 0.0000 0.0000 34327.4508 -149347.4870 299.7902 -183674.9378 -149253.2389 299.1523 33.8256 64.8969 555348.8416 10.1137 10.0599 PRESSURE: 2697600 -330.861 4.8109 83.5409 4.81181 -133.89 -37.0779 83.5411 -37.0775 -315.827 GPRESSURE: 2697600 -260.306 52.172 -4.17165 -20.4937 -119.733 -91.735 79.0392 -66.2247 -293.8 PRESSAVG: 2697600 -0.916961 1.2589 16.3922 1.25885 40.3171 -53.0604 16.3922 -53.0604 24.1732 GPRESSAVG: 2697600 -0.796961 1.43915 15.7993 1.70186 40.8125 -52.7408 17.4017 -55.1767 23.9044 TIMING: 2697600 CPU: 7827.71, 0.00288006/step Wall: 7827.71, 0.00288006/step, 1.84196 hours remaining, 207.859375 MB of memory in use. ENERGY: 2697600 748.5673 2087.8982 1968.5625 113.0711 -205933.5278 17506.9503 0.0000 0.0000 34234.1965 -149274.2820 298.9758 -183508.4784 -149177.9668 299.1170 -260.1927 -224.6129 557111.0787 21.1911 21.3067 PRESSURE: 2697800 32.9778 88.643 42.9257 88.6433 267.312 -53.727 42.9259 -53.7272 204.954 GPRESSURE: 2697800 38.8726 49.6425 45.9727 162.336 317.384 13.0618 60.3243 -91.6021 235.504 PRESSAVG: 2697800 -8.9597 -30.2997 -9.23995 -30.2996 54.8939 -12.5528 -9.23993 -12.5529 -54.5799 GPRESSAVG: 2697800 -8.58763 -30.2793 -8.96975 -31.2001 55.5298 -12.3838 -10.9751 -12.7575 -55.753 TIMING: 2697800 CPU: 7828.29, 0.00291386/step Wall: 7828.29, 0.00291386/step, 1.86341 hours remaining, 207.859375 MB of memory in use. ENERGY: 2697800 746.4166 2111.6232 1904.1684 137.4468 -206314.5653 17890.5677 0.0000 0.0000 34203.2289 -149321.1136 298.7053 -183524.3425 -149226.9373 298.9069 168.4146 197.2537 556900.1207 -2.8819 -2.9369 PRESSURE: 2698000 165.705 35.4906 16.1497 35.4902 26.4211 136.251 16.1494 136.25 -41.1206 GPRESSURE: 2698000 240.431 53.1211 44.6905 18.7814 31.462 149.315 22.3409 119.999 -16.6686 PRESSAVG: 2698000 -47.7022 -58.6743 16.043 -58.6743 53.0322 35.856 16.043 35.856 -11.5892 GPRESSAVG: 2698000 -47.8185 -58.3935 15.0569 -57.3601 51.8083 34.5429 19.7369 38.4306 -10.4181 TIMING: 2698000 CPU: 7828.87, 0.0028953/step Wall: 7828.87, 0.0028953/step, 1.85138 hours remaining, 207.859375 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: 2698000 769.4006 2077.2706 1959.8095 113.1632 -206181.6324 17970.0325 0.0000 0.0000 34101.7998 -149190.1563 297.8195 -183291.9561 -149092.6563 298.6611 50.3350 85.0749 557941.2359 -2.0864 -2.1428 PRESSURE: 2698200 -194.239 -42.3045 105.639 -42.305 -250.81 -65.2243 105.64 -65.2264 -228.465 GPRESSURE: 2698200 -141.385 -107.589 164.713 -20.2618 -231.907 -38.0681 124.326 -101.214 -210.311 PRESSAVG: 2698200 7.08697 -6.66862 64.9424 -6.66856 5.00485 17.3774 64.9424 17.3773 -55.8995 GPRESSAVG: 2698200 8.38724 -5.48448 68.9902 -7.89253 5.71591 16.9566 61.4439 16.3427 -57.7018 TIMING: 2698200 CPU: 7829.45, 0.00289931/step Wall: 7829.45, 0.00289931/step, 1.85379 hours remaining, 207.859375 MB of memory in use. ENERGY: 2698200 744.3910 2056.6897 1949.6931 120.0754 -206113.7646 17723.7734 0.0000 0.0000 34333.7117 -149185.4302 299.8448 -183519.1418 -149087.9952 298.7276 -224.5046 -194.5343 558479.2191 -14.6026 -14.5329 PRESSURE: 2698400 -113.507 -1.56489 138.738 -1.56408 44.9038 30.7242 138.738 30.7241 92.9622 GPRESSURE: 2698400 -96.9007 -16.6565 144.269 27.3501 106.347 27.9344 94.4798 32.3067 101.938 PRESSAVG: 2698400 5.87448 19.4851 57.6932 19.4851 -8.89254 -12.3554 57.6933 -12.3556 -6.40633 GPRESSAVG: 2698400 4.45696 17.6359 58.2264 20.6111 -9.37971 -13.269 54.8399 -11.9236 -4.19702 TIMING: 2698400 CPU: 7830.03, 0.00288258/step Wall: 7830.03, 0.00288258/step, 1.84293 hours remaining, 207.859375 MB of memory in use. ENERGY: 2698400 693.7500 2071.1608 1949.5526 108.2214 -206312.9905 17940.0400 0.0000 0.0000 34368.7564 -149181.5093 300.1509 -183550.2657 -149074.4608 299.4670 8.1198 37.1281 558541.2845 -3.1415 -3.0399 PRESSURE: 2698600 -115.261 69.6378 -89.0404 69.6374 -193.066 23.352 -89.0386 23.3517 166.583 GPRESSURE: 2698600 -52.453 -3.61765 27.7994 87.2413 -192.821 -40.4788 -200.747 32.539 201.668 PRESSAVG: 2698600 44.2306 31.7063 11.1906 31.7063 -53.3196 22.8908 11.1906 22.8908 10.2506 GPRESSAVG: 2698600 45.3366 32.387 9.51709 31.1103 -53.2839 23.6884 13.6764 22.6997 9.36894 TIMING: 2698600 CPU: 7830.61, 0.00290504/step Wall: 7830.61, 0.00290504/step, 1.85713 hours remaining, 207.859375 MB of memory in use. ENERGY: 2698600 698.9957 2054.4740 1975.7681 106.7581 -206163.3539 17678.1635 0.0000 0.0000 34469.8780 -149179.3165 301.0340 -183649.1945 -149080.3420 299.7576 -47.2480 -14.5354 557678.0288 0.3872 0.4739 PRESSURE: 2698800 -299.344 89.2343 41.873 89.2351 -329.726 -9.34125 41.8723 -9.34154 -93.0407 GPRESSURE: 2698800 -302.743 17.6655 70.6349 186.957 -295.851 87.0394 -14.6273 -125.554 -31.9277 PRESSAVG: 2698800 -59.6835 100.801 20.4658 100.801 20.2328 50.3696 20.4659 50.3697 46.3646 GPRESSAVG: 2698800 -59.4906 101.111 21.7691 100.785 19.6387 48.5899 17.9045 52.063 46.9586 TIMING: 2698800 CPU: 7831.19, 0.00290247/step Wall: 7831.19, 0.00290247/step, 1.85532 hours remaining, 207.859375 MB of memory in use. ENERGY: 2698800 781.2630 2119.7006 1981.2850 114.9736 -206024.5344 17667.8439 0.0000 0.0000 34088.5954 -149270.8731 297.7042 -183359.4684 -149180.9279 299.3110 -240.7036 -210.1740 558385.4384 2.3046 2.3689 PRESSURE: 2699000 161.318 -166.096 108.963 -166.095 190.503 -83.039 108.963 -83.0377 -46.0131 GPRESSURE: 2699000 205.203 -162.686 162.378 -99.274 231.88 16.0247 102.089 -15.4753 -48.1149 PRESSAVG: 2699000 0.397156 -2.62418 -38.5688 -2.62432 16.969 -7.13277 -38.5688 -7.13275 -17.7331 GPRESSAVG: 2699000 0.706435 -4.27531 -40.8639 -1.23755 16.6583 -5.40031 -34.9236 -7.32222 -17.946 TIMING: 2699000 CPU: 7831.77, 0.00290147/step Wall: 7831.77, 0.00290147/step, 1.85453 hours remaining, 207.859375 MB of memory in use. ENERGY: 2699000 760.8851 2085.8442 1975.1565 125.2304 -206190.0943 17928.3833 0.0000 0.0000 34252.6354 -149061.9595 299.1368 -183314.5949 -148965.3771 298.8486 101.9359 129.6562 557423.5247 -0.1223 -0.1937 PRESSURE: 2699200 -15.2769 75.8245 75.0501 75.824 55.4728 -43.9259 75.0498 -43.9248 -196.312 GPRESSURE: 2699200 29.7465 77.8908 82.0127 87.0034 66.6763 -62.0208 17.4116 42.004 -157.323 PRESSAVG: 2699200 64.8553 -26.6085 29.3842 -26.6085 -58.3579 -36.4834 29.3841 -36.4835 -2.27115 GPRESSAVG: 2699200 64.2173 -25.1729 29.2723 -26.2164 -58.475 -36.1493 29.4575 -37.5817 -1.49954 TIMING: 2699200 CPU: 7832.35, 0.00290462/step Wall: 7832.35, 0.00290462/step, 1.85637 hours remaining, 207.859375 MB of memory in use. ENERGY: 2699200 746.5111 2081.7530 1921.7240 112.2950 -205947.2374 17678.5611 0.0000 0.0000 34239.4149 -149166.9782 299.0213 -183406.3931 -149071.0650 299.1312 -52.0388 -20.3002 558408.3471 1.4088 1.4143 PRESSURE: 2699400 44.8262 92.0695 30.4263 92.0686 -195.88 210.978 30.4264 210.977 -339.435 GPRESSURE: 2699400 68.37 30.6512 64.6666 53.7596 -181.751 178.642 -43.358 194.6 -287.956 PRESSAVG: 2699400 42.6149 -13.444 47.337 -13.444 15.17 -6.56912 47.337 -6.56921 14.3495 GPRESSAVG: 2699400 42.3999 -11.9202 48.719 -16.5468 15.3563 -7.22195 46.6059 -6.3817 14.5425 TIMING: 2699400 CPU: 7832.92, 0.00287762/step Wall: 7832.92, 0.00287762/step, 1.83896 hours remaining, 207.859375 MB of memory in use. ENERGY: 2699400 733.1182 2130.6927 1964.6455 118.9126 -206162.9007 17653.7964 0.0000 0.0000 34373.1180 -149188.6174 300.1890 -183561.7354 -149087.7340 299.8259 -163.4964 -133.7790 556732.1689 24.0448 24.0996 PRESSURE: 2699600 -134.835 76.2708 -209.775 76.272 46.9962 29.0854 -209.776 29.0857 -85.8172 GPRESSURE: 2699600 -76.7872 76.5274 -171.183 110.704 27.8934 83.0459 -61.4391 37.4866 -37.6468 PRESSAVG: 2699600 39.2383 6.90058 -18.1164 6.90072 1.33064 34.9513 -18.1164 34.9511 -57.7286 GPRESSAVG: 2699600 39.704 4.99552 -18.6862 8.17201 0.869722 37.2497 -17.9452 33.8997 -57.3461 TIMING: 2699600 CPU: 7833.5, 0.00289403/step Wall: 7833.5, 0.00289403/step, 1.84928 hours remaining, 207.859375 MB of memory in use. ENERGY: 2699600 749.5809 2158.1225 1958.6479 130.1396 -206002.6143 17791.0261 0.0000 0.0000 34189.1211 -149025.9763 298.5821 -183215.0973 -148931.5836 299.6666 -57.8852 -28.8469 557421.1805 -5.7199 -5.5908 PRESSURE: 2699800 -268.92 24.9577 87.7906 24.9594 -233.828 -14.0972 87.7909 -14.0981 -214.82 GPRESSURE: 2699800 -257.545 -7.68807 49.7233 102.512 -218.712 -41.25 74.3488 -59.5396 -143.716 PRESSAVG: 2699800 -2.8715 28.3722 -56.2214 28.3722 25.8075 -14.3978 -56.2215 -14.3977 -7.43612 GPRESSAVG: 2699800 -2.76349 26.6942 -57.5628 29.7481 26.454 -15.6664 -55.0097 -13.0431 -7.53328 TIMING: 2699800 CPU: 7834.08, 0.00288632/step Wall: 7834.08, 0.00288632/step, 1.8442 hours remaining, 207.859375 MB of memory in use. ENERGY: 2699800 767.6972 2119.3226 1964.8993 123.8765 -206323.9579 17652.7968 0.0000 0.0000 34495.1561 -149200.2093 301.2548 -183695.3654 -149105.5661 299.7533 -239.1892 -206.6578 559314.3331 5.1666 5.3857 WRITING COORDINATES TO DCD FILE MD.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: 2700000 87.2494 -108.49 111.293 -108.491 -72.9932 -36.9585 111.292 -36.959 -36.9693 GPRESSURE: 2700000 152.374 -89.7231 115.581 -67.7804 -74.8431 -34.0087 157.318 -40.2698 -1.202 PRESSAVG: 2700000 34.7139 -47.263 11.3842 -47.2631 -12.248 -25.1757 11.3842 -25.1757 -33.5155 GPRESSAVG: 2700000 33.1058 -44.2647 14.2211 -49.0162 -10.8823 -23.8152 8.30869 -25.2439 -33.6179 TIMING: 2700000 CPU: 7834.79, 0.00355792/step Wall: 7834.79, 0.00355792/step, 2.27311 hours remaining, 207.859375 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: 2700000 734.7373 2118.8639 1942.4185 107.0049 -206285.4889 17860.6821 0.0000 0.0000 34320.3179 -149201.4642 299.7279 -183521.7821 -149100.6259 299.1971 -7.5711 25.4429 556967.5523 -3.6832 -3.7981 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 PRESSURE: 2700200 -81.6074 -99.508 -7.83377 -99.5097 40.7347 -199.841 -7.83395 -199.842 -163.43 GPRESSURE: 2700200 -88.3515 -18.8352 38.4932 -142.172 102.216 -261.163 -78.4618 -196.179 -125.031 PRESSAVG: 2700200 -28.6834 -10.1286 26.4627 -10.1286 -33.3498 -102.505 26.4628 -102.505 39.4448 GPRESSAVG: 2700200 -27.5232 -11.3919 26.0092 -7.85233 -33.5277 -103.39 28.7539 -101.171 38.8549 TIMING: 2700200 CPU: 7835.42, 0.00315309/step Wall: 7835.42, 0.00315309/step, 2.0143 hours remaining, 207.859375 MB of memory in use. ENERGY: 2700200 738.6047 2099.9030 1968.7671 115.2150 -205984.5881 17672.4205 0.0000 0.0000 34129.6305 -149260.0473 298.0626 -183389.6778 -149168.6425 298.7953 -68.1008 -37.0554 557777.3870 -7.5295 -7.3987 LDB: ============= START OF LOAD BALANCING ============== 7838.89 LDB: ============== END OF LOAD BALANCING =============== 7838.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7838.89 LDB: ============= START OF LOAD BALANCING ============== 7839.18 LDB: Largest compute 4821 load 0.031787 is 27.0% of average load 0.117785 LDB: Average compute 0.001722 is 1.5% of average load 0.117785 LDB: TIME 7839.18 LOAD: AVG 0.117785 MAX 0.177883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.961 MB LDB: TIME 7839.18 LOAD: AVG 0.117785 MAX 0.177883 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: TIME 7839.18 LOAD: AVG 0.117785 MAX 0.177883 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7839.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7839.19 PRESSURE: 2700400 2.23887 0.720276 96.0768 0.718508 -30.8612 35.1735 96.0772 35.1743 -36.9747 GPRESSURE: 2700400 9.68492 -34.7385 162.627 -54.4446 21.3168 -89.4707 30.1065 145.611 12.6653 PRESSAVG: 2700400 11.9192 10.371 15.3628 10.371 31.8986 -38.3007 15.3628 -38.3008 18.3585 GPRESSAVG: 2700400 12.1979 10.1873 14.8845 9.97605 31.6752 -38.9608 13.9264 -38.7972 18.5626 TIMING: 2700400 CPU: 7836.01, 0.00295688/step Wall: 7836.01, 0.00295688/step, 1.88879 hours remaining, 204.910156 MB of memory in use. ENERGY: 2700400 735.1497 2118.9903 1942.3207 124.9001 -206344.9050 17768.5395 0.0000 0.0000 34217.4228 -149437.5819 298.8293 -183655.0047 -149337.3250 299.3988 -21.8657 14.5557 557011.8359 20.7254 20.8119 PRESSURE: 2700600 -67.1897 -12.0229 -3.08169 -12.0231 -58.0372 -165.097 -3.08209 -165.096 -382.484 GPRESSURE: 2700600 -61.3189 -39.9945 44.7155 97.3774 -37.755 -149.277 -1.0176 -145.727 -318.344 PRESSAVG: 2700600 -20.2891 14.4975 -11.0907 14.4975 -40.2883 7.41675 -11.0908 7.41678 82.3086 GPRESSAVG: 2700600 -20.4696 14.832 -9.7905 13.8724 -40.6672 8.85533 -10.3135 7.32908 83.4681 TIMING: 2700600 CPU: 7836.59, 0.00288525/step Wall: 7836.59, 0.00288525/step, 1.84287 hours remaining, 205.367188 MB of memory in use. ENERGY: 2700600 760.7496 2148.1148 1956.5077 115.8758 -206260.8513 17756.1310 0.0000 0.0000 34103.6678 -149419.8046 297.8358 -183523.4724 -149327.9197 298.5192 -169.2369 -139.1394 557826.1879 7.2437 7.4438 PRESSURE: 2700800 240.092 153.525 -70.6896 153.523 -150.375 42.4077 -70.6892 42.4066 -14.3071 GPRESSURE: 2700800 256.667 124.522 -135.734 185.143 -61.2053 -47.0889 -29.1523 62.6458 -12.6319 PRESSAVG: 2700800 80.2642 30.3217 3.2843 30.3218 -70.7904 8.77023 3.28437 8.77029 -14.2387 GPRESSAVG: 2700800 81.2092 29.1217 4.08956 29.5746 -70.5463 9.1503 1.49485 8.84721 -15.4231 TIMING: 2700800 CPU: 7837.17, 0.00289928/step Wall: 7837.17, 0.00289928/step, 1.85167 hours remaining, 205.367188 MB of memory in use. ENERGY: 2700800 739.6798 2096.1051 1948.6951 121.4552 -206853.2633 18101.4277 0.0000 0.0000 34204.0870 -149641.8134 298.7128 -183845.9004 -149542.8219 297.8026 25.1366 60.9434 558194.9913 -1.5883 -1.5867 PRESSURE: 2701000 -129.655 -92.8471 110.25 -92.848 -209.844 -3.2917 110.249 -3.29202 -352.911 GPRESSURE: 2701000 -138.501 -118.77 5.16445 -63.8652 -176.858 6.23341 96.1742 -18.3502 -275.528 PRESSAVG: 2701000 47.9197 38.9808 77.7469 38.9808 -31.6927 17.3716 77.7469 17.3715 -13.0207 GPRESSAVG: 2701000 47.3796 41.8925 77.2564 39.5334 -32.299 18.8147 78.9006 15.9885 -12.1475 TIMING: 2701000 CPU: 7837.75, 0.00290499/step Wall: 7837.75, 0.00290499/step, 1.85516 hours remaining, 205.367188 MB of memory in use. ENERGY: 2701000 739.2903 2165.9178 1957.9647 121.6076 -205960.4863 17419.6092 0.0000 0.0000 34084.5361 -149471.5607 297.6687 -183556.0967 -149373.3752 298.0572 -230.8034 -196.9627 558344.7934 1.0688 0.9777 PRESSURE: 2701200 -101.036 -28.2342 9.53299 -28.2361 92.1222 103.89 9.53201 103.891 -286.341 GPRESSURE: 2701200 -100.612 -56.2798 20.2226 -51.6354 137.463 85.3189 -50.6199 82.2032 -243.165 PRESSAVG: 2701200 22.2443 -0.895853 6.98855 -0.895912 22.8556 55.8948 6.98858 55.8947 -40.8742 GPRESSAVG: 2701200 21.9877 -2.4406 5.69355 -1.28452 23.8232 53.9279 6.83932 56.0876 -41.0512 TIMING: 2701200 CPU: 7838.33, 0.00290749/step Wall: 7838.33, 0.00290749/step, 1.85659 hours remaining, 205.367188 MB of memory in use. ENERGY: 2701200 712.3934 2125.6185 1949.9614 124.4827 -206250.4693 17537.9725 0.0000 0.0000 34188.0215 -149612.0194 298.5725 -183800.0409 -149517.8322 298.5022 -98.4181 -68.7710 555262.8372 1.4086 1.5865 PRESSURE: 2701400 -335.006 -71.1233 47.0273 -71.1233 -68.8321 89.9675 47.0266 89.9671 -298.021 GPRESSURE: 2701400 -314.569 -149.722 26.4912 -52.7633 -67.3918 29.2078 12.9311 151.715 -220.812 PRESSAVG: 2701400 -6.25688 29.0022 -14.7106 29.0022 30.7931 49.4962 -14.7105 49.4961 -49.4217 GPRESSAVG: 2701400 -6.29885 28.523 -13.4564 28.4464 30.6287 49.248 -13.2646 49.7037 -49.3774 TIMING: 2701400 CPU: 7838.92, 0.00291561/step Wall: 7838.92, 0.00291561/step, 1.86162 hours remaining, 205.367188 MB of memory in use. ENERGY: 2701400 768.2310 2107.2708 1963.8046 114.8535 -206223.1331 17585.7570 0.0000 0.0000 34202.6273 -149480.5889 298.7001 -183683.2163 -149387.6837 298.8816 -233.9530 -200.9244 556219.9952 -8.2952 -8.3492 PRESSURE: 2701600 -284.841 201.06 79.7383 201.061 -116.633 19.9405 79.7399 19.9408 2.20653 GPRESSURE: 2701600 -308.282 164.97 43.8126 263.416 -5.24107 68.7375 14.5664 -18.2782 22.3661 PRESSAVG: 2701600 -54.2494 27.0398 25.0725 27.0397 40.8671 12.2798 25.0724 12.2797 25.619 GPRESSAVG: 2701600 -55.1942 25.4401 23.3635 29.6735 41.9095 11.8946 25.3695 12.6461 25.9598 TIMING: 2701600 CPU: 7839.5, 0.00290927/step Wall: 7839.5, 0.00290927/step, 1.85741 hours remaining, 205.367188 MB of memory in use. ENERGY: 2701600 754.3657 2116.7655 1972.6884 118.3057 -206256.3952 17553.6513 0.0000 0.0000 34380.0826 -149360.5359 300.2498 -183740.6185 -149267.0424 299.4332 -133.0889 -97.0525 554883.8908 4.0789 4.2250 PRESSURE: 2701800 170.869 -164.239 1.06737 -164.238 -7.51235 -2.389 1.06637 -2.38777 -3.55655 GPRESSURE: 2701800 209.204 -55.1392 0.173884 -174.602 44.56 -17.1793 40.4561 14.8488 4.56932 PRESSAVG: 2701800 -88.7759 7.11315 -8.16929 7.11322 86.6278 21.5523 -8.16936 21.5523 14.5933 GPRESSAVG: 2701800 -87.0972 9.53779 -10.0999 5.23532 85.083 22.0249 -7.53056 20.1571 14.7949 TIMING: 2701800 CPU: 7840.08, 0.00290632/step Wall: 7840.08, 0.00290632/step, 1.85536 hours remaining, 205.367188 MB of memory in use. ENERGY: 2701800 759.4525 2112.9173 1979.9328 111.6303 -206539.5861 17825.0246 0.0000 0.0000 34458.4851 -149292.1434 300.9345 -183750.6285 -149197.2083 299.5032 53.2666 86.1112 554713.8804 4.1484 4.2602 PRESSURE: 2702000 51.2827 -33.0545 -55.9303 -33.0561 -15.8747 63.5729 -55.9305 63.5717 74.8535 GPRESSURE: 2702000 91.8918 -16.162 -60.3272 -18.8515 8.1207 17.5575 -41.5512 80.7198 109.714 PRESSAVG: 2702000 -29.2754 -34.585 -38.4846 -34.585 9.30146 43.1105 -38.4846 43.1106 34.7215 GPRESSAVG: 2702000 -31.2834 -34.0273 -34.0863 -34.0841 10.3059 43.6372 -39.7754 44.086 35.8959 TIMING: 2702000 CPU: 7840.66, 0.00290391/step Wall: 7840.66, 0.00290391/step, 1.85366 hours remaining, 205.425781 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: 2702000 759.8167 2105.3436 1956.3285 113.5429 -206050.1548 17658.2533 0.0000 0.0000 34373.8511 -149083.0188 300.1954 -183456.8699 -148983.9784 300.1510 36.7538 69.9089 555175.0190 4.9159 4.9728 PRESSURE: 2702200 239.091 3.45673 64.1655 3.45643 145.24 69.1546 64.165 69.1537 441.179 GPRESSURE: 2702200 333.422 -17.3187 112.987 17.671 211.703 12.4285 10.4486 130.376 396.219 PRESSAVG: 2702200 -17.8412 -10.5524 -38.552 -10.5525 -58.2126 39.3861 -38.552 39.386 63.6881 GPRESSAVG: 2702200 -15.463 -10.4722 -39.0467 -11.4778 -59.8287 38.9743 -37.3326 39.0194 63.0253 TIMING: 2702200 CPU: 7841.24, 0.00289059/step Wall: 7841.24, 0.00289059/step, 1.845 hours remaining, 205.425781 MB of memory in use. ENERGY: 2702200 740.2156 2140.7939 1936.2233 119.8393 -206320.2701 18041.8709 0.0000 0.0000 34320.6134 -149020.7136 299.7305 -183341.3271 -148926.3978 299.6787 275.1701 313.7816 554461.6671 -4.1219 -4.0888 PRESSURE: 2702400 -200.062 9.9372 36.1876 9.93641 -182.854 149.395 36.1879 149.395 55.6052 GPRESSURE: 2702400 -158.355 6.75613 101.097 2.72712 -143.24 209.318 -57.4307 105.211 71.8859 PRESSAVG: 2702400 13.3199 33.2499 17.339 33.2501 14.992 -6.9782 17.3389 -6.97826 4.21127 GPRESSAVG: 2702400 11.8053 31.2991 17.3369 35.8922 16.7099 -5.08928 15.3602 -7.92269 3.8011 TIMING: 2702400 CPU: 7841.82, 0.00290962/step Wall: 7841.82, 0.00290962/step, 1.85699 hours remaining, 205.425781 MB of memory in use. ENERGY: 2702400 731.5867 2073.9791 1957.7990 104.7009 -205986.5790 17682.7701 0.0000 0.0000 34247.9766 -149187.7665 299.0961 -183435.7431 -149092.0856 299.0960 -109.1035 -76.5696 557547.8311 10.8410 10.7721 PRESSURE: 2702600 37.8086 49.6042 47.2688 49.603 -201.404 84.0794 47.2691 84.0802 -172.635 GPRESSURE: 2702600 81.7475 95.4144 104.37 37.6968 -193.793 101.47 -53.1098 101.266 -132.683 PRESSAVG: 2702600 31.0585 30.8538 18.4219 30.8538 6.07976 34.1206 18.4219 34.1207 -41.5202 GPRESSAVG: 2702600 32.1745 31.1431 16.2309 29.9294 4.96731 32.8778 19.3744 35.9402 -41.6773 TIMING: 2702600 CPU: 7842.4, 0.00291384/step Wall: 7842.4, 0.00291384/step, 1.85951 hours remaining, 205.425781 MB of memory in use. ENERGY: 2702600 737.6038 2112.4078 1963.5804 106.0212 -205885.7893 17493.8137 0.0000 0.0000 34204.6156 -149267.7468 298.7174 -183472.3624 -149172.0840 299.2127 -112.0766 -81.5762 556005.3542 -1.4606 -1.5118 PRESSURE: 2702800 -11.4574 -97.6623 -44.4748 -97.6625 189.17 -24.6256 -44.474 -24.6263 -63.1601 GPRESSURE: 2702800 66.2999 -155.145 -70.3141 -95.673 160.696 -22.8738 -5.78755 -48.2468 -10.3601 PRESSAVG: 2702800 5.47975 59.332 -8.20016 59.332 55.1744 57.0087 -8.2001 57.0087 -22.6826 GPRESSAVG: 2702800 5.38175 59.6174 -6.54288 58.7968 55.4476 56.0537 -6.93631 57.1661 -22.2785 TIMING: 2702800 CPU: 7842.99, 0.00292836/step Wall: 7842.99, 0.00292836/step, 1.86862 hours remaining, 205.425781 MB of memory in use. ENERGY: 2702800 716.9680 2101.7716 1962.3670 120.4576 -206098.9572 17742.2878 0.0000 0.0000 34272.2066 -149182.8988 299.3077 -183455.1054 -149094.1022 299.0277 38.1840 72.2120 557088.2066 12.6572 12.8503 PRESSURE: 2703000 -162.754 50.5669 -70.7169 50.5669 -91.8437 46.8085 -70.7166 46.8086 -180.668 GPRESSURE: 2703000 -104.174 45.8201 24.7588 68.5127 -103.109 82.8523 -66.7547 41.814 -125.985 PRESSAVG: 2703000 58.2547 10.7604 -17.7556 10.7604 -2.18365 -5.26138 -17.7557 -5.26128 -66.5043 GPRESSAVG: 2703000 58.2621 9.3332 -19.7966 13.2102 -2.88804 -5.78042 -16.5966 -3.987 -65.8395 TIMING: 2703000 CPU: 7843.57, 0.00291824/step Wall: 7843.57, 0.00291824/step, 1.862 hours remaining, 205.425781 MB of memory in use. ENERGY: 2703000 757.1614 2027.2364 1983.0574 111.9215 -206094.6734 17651.5604 0.0000 0.0000 34232.2548 -149331.4816 298.9588 -183563.7363 -149233.0306 298.5290 -145.0884 -111.0896 556781.1552 -3.4777 -3.4885 PRESSURE: 2703200 -160.514 1.33933 -20.8581 1.33951 -314.106 12.3487 -20.8577 12.3488 -376.38 GPRESSURE: 2703200 -132.59 -22.9178 16.0573 28.6219 -264.421 121.036 -24.5575 -108.727 -355.4 PRESSAVG: 2703200 69.1884 42.8565 41.9958 42.8565 3.34431 27.8194 41.9958 27.8196 -40.0464 GPRESSAVG: 2703200 68.472 43.3991 44.1405 42.1159 3.37987 27.7343 39.0147 26.5307 -38.7127 TIMING: 2703200 CPU: 7844.15, 0.00290763/step Wall: 7844.15, 0.00290763/step, 1.85507 hours remaining, 205.437500 MB of memory in use. ENERGY: 2703200 758.4048 2072.8848 1952.4591 122.3534 -205757.6233 17430.5843 0.0000 0.0000 34138.9484 -149281.9885 298.1439 -183420.9369 -149188.0446 298.3142 -283.6665 -250.8037 558205.6555 10.8288 11.0464 PRESSURE: 2703400 -81.5496 159.568 -65.368 159.568 91.9758 1.60602 -65.3683 1.60569 -81.5437 GPRESSURE: 2703400 -60.6005 128.544 -26.5818 158.322 90.3263 -41.092 -107.957 44.7726 4.39662 PRESSAVG: 2703400 -1.46491 -9.32551 -59.7302 -9.32558 55.897 -21.8554 -59.7301 -21.8555 -52.3335 GPRESSAVG: 2703400 -0.997134 -8.53781 -61.5369 -7.09601 55.9044 -21.8687 -58.2192 -21.0268 -53.0699 TIMING: 2703400 CPU: 7844.73, 0.00290167/step Wall: 7844.73, 0.00290167/step, 1.85111 hours remaining, 205.437500 MB of memory in use. ENERGY: 2703400 785.6936 2095.8440 1952.8631 112.4282 -206355.6554 17845.5174 0.0000 0.0000 34318.7835 -149244.5255 299.7145 -183563.3089 -149146.1648 298.8771 -23.7058 11.3741 556186.8970 0.6995 0.6125 PRESSURE: 2703600 136.211 -56.4788 -69.8039 -56.4782 114.573 -17.9011 -69.8043 -17.9003 -136.539 GPRESSURE: 2703600 146.728 -145.351 -88.1773 23.4066 139.397 31.5317 -39.305 -34.7788 -84.6389 PRESSAVG: 2703600 51.5254 -11.9338 -58.1687 -11.9338 15.5635 -18.3968 -58.1687 -18.3969 -71.5536 GPRESSAVG: 2703600 51.5571 -12.4618 -58.1901 -13.1997 15.4896 -18.7206 -59.0415 -19.4003 -71.7182 TIMING: 2703600 CPU: 7845.32, 0.00291843/step Wall: 7845.32, 0.00291843/step, 1.86164 hours remaining, 205.437500 MB of memory in use. ENERGY: 2703600 750.1101 2104.7380 1955.5559 107.9366 -206334.6696 17826.8602 0.0000 0.0000 34250.5298 -149338.9391 299.1184 -183589.4689 -149242.7949 299.1845 38.0817 67.1622 557142.5253 -1.4882 -1.5572 PRESSURE: 2703800 118.384 -135.128 -42.9134 -135.127 -72.7532 204.387 -42.913 204.387 -22.2463 GPRESSURE: 2703800 125.88 -63.3266 -77.9387 -173.086 6.83427 188.525 16.6649 196.872 -10.005 PRESSAVG: 2703800 59.0351 -23.3474 -27.1335 -23.3475 -14.527 47.1115 -27.1335 47.1115 -47.3601 GPRESSAVG: 2703800 59.4836 -22.9812 -26.6627 -24.869 -13.0003 48.7108 -27.1094 46.522 -49.2766 TIMING: 2703800 CPU: 7845.9, 0.0029088/step Wall: 7845.9, 0.0029088/step, 1.85533 hours remaining, 205.437500 MB of memory in use. ENERGY: 2703800 759.9252 2114.2256 1961.3439 114.6958 -206191.4979 17853.5933 0.0000 0.0000 34116.5519 -149271.1623 297.9483 -183387.7142 -149179.2372 298.6905 7.7950 40.9029 558046.1132 -0.9507 -0.9311 PRESSURE: 2704000 348.987 35.7754 -10.9905 35.7765 130.484 175.905 -10.9896 175.906 -31.6137 GPRESSURE: 2704000 381.684 23.0954 -120.709 -11.5668 123.981 152.909 -65.4482 174.167 30.8471 PRESSAVG: 2704000 69.5941 -1.40487 40.3345 -1.40485 -28.58 2.26628 40.3346 2.26617 -59.1804 GPRESSAVG: 2704000 69.6683 -0.2553 40.5937 1.0121 -28.1673 1.65387 41.726 2.0355 -58.8179 TIMING: 2704000 CPU: 7846.48, 0.00288442/step Wall: 7846.48, 0.00288442/step, 1.83962 hours remaining, 205.437500 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: 2704000 718.1930 2062.2498 1980.6623 116.2934 -206639.5707 18169.0169 0.0000 0.0000 34220.9174 -149372.2379 298.8598 -183593.1553 -149277.5886 297.8006 149.2856 178.8374 557763.5145 -6.0554 -5.7723 PRESSURE: 2704200 -36.5791 -68.1728 -20.9205 -68.1734 49.7931 -21.8025 -20.9197 -21.8022 -351.637 GPRESSURE: 2704200 -11.4115 37.5239 52.2512 -131.682 89.0165 -20.0562 -46.2138 40.3592 -316.109 PRESSAVG: 2704200 25.9432 -25.9275 -50.6838 -25.9275 -18.0086 19.4145 -50.6837 19.4145 -12.244 GPRESSAVG: 2704200 25.8615 -25.6913 -51.4508 -28.4589 -18.5274 17.717 -51.2666 20.6347 -11.6182 TIMING: 2704200 CPU: 7847.05, 0.00288976/step Wall: 7847.05, 0.00288976/step, 1.84287 hours remaining, 205.437500 MB of memory in use. ENERGY: 2704200 724.7374 2099.5759 1962.8068 106.3194 -206111.6437 17793.4879 0.0000 0.0000 34109.7573 -149314.9591 297.8890 -183424.7164 -149216.6087 298.6440 -112.8075 -79.5013 558100.7787 -1.4365 -1.4280 LDB: ============= START OF LOAD BALANCING ============== 7850.52 LDB: ============== END OF LOAD BALANCING =============== 7850.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7850.52 LDB: ============= START OF LOAD BALANCING ============== 7850.82 LDB: Largest compute 4821 load 0.031556 is 26.8% of average load 0.117779 LDB: Average compute 0.001722 is 1.5% of average load 0.117779 LDB: TIME 7850.82 LOAD: AVG 0.117779 MAX 0.179891 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.258 MB LDB: TIME 7850.82 LOAD: AVG 0.117779 MAX 0.179891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 7850.82 LOAD: AVG 0.117779 MAX 0.179891 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7850.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7850.83 PRESSURE: 2704400 49.4402 -241.212 -22.7687 -241.212 -165.733 166.124 -22.7689 166.125 126.712 GPRESSURE: 2704400 48.5979 -291.819 -10.0664 -101.764 -120.923 74.8088 -46.0338 172.948 174.438 PRESSAVG: 2704400 -40.3917 -35.5994 -49.0678 -35.5993 38.2649 25.3499 -49.0679 25.3501 -11.0865 GPRESSAVG: 2704400 -39.9229 -36.0288 -47.3324 -33.5818 38.1616 25.3261 -49.7751 25.7606 -10.8408 TIMING: 2704400 CPU: 7847.65, 0.0029811/step Wall: 7847.65, 0.0029811/step, 1.90095 hours remaining, 206.648438 MB of memory in use. ENERGY: 2704400 777.8596 2122.4023 1946.1143 114.8072 -206286.0869 17912.9343 0.0000 0.0000 34297.0555 -149114.9138 299.5247 -183411.9693 -149017.4256 299.4919 3.4733 34.0375 558473.3360 -4.4044 -4.2007 PRESSURE: 2704600 -73.8424 188.555 3.48613 188.556 264.67 -106.552 3.48682 -106.553 -40.8977 GPRESSURE: 2704600 0.248909 91.6721 -43.4561 221.096 270.489 -54.5128 23.1114 -120.372 -20.5257 PRESSAVG: 2704600 -36.5845 -0.553568 -61.2198 -0.553579 28.6461 -12.7514 -61.2198 -12.7512 28.923 GPRESSAVG: 2704600 -35.5446 0.857294 -62.8713 -1.48719 28.3145 -9.9753 -60.9589 -13.0107 27.7789 TIMING: 2704600 CPU: 7848.23, 0.00289928/step Wall: 7848.23, 0.00289928/step, 1.84861 hours remaining, 206.906250 MB of memory in use. ENERGY: 2704600 749.9282 2124.9986 1964.4609 121.6137 -206240.0086 17984.1694 0.0000 0.0000 34148.8219 -149146.0159 298.2302 -183294.8378 -149046.2164 298.6124 49.9765 83.4039 558213.8434 6.9949 6.8496 PRESSURE: 2704800 7.40811 -173.865 77.7673 -173.866 -49.2435 264.076 77.7659 264.078 -147.417 GPRESSURE: 2704800 26.7462 -218.477 141.107 -114.142 -35.7762 188.151 26.9795 252.996 -87.537 PRESSAVG: 2704800 -69.5429 6.06943 50.1148 6.0694 33.9455 -15.7551 50.1147 -15.7551 20.3234 GPRESSAVG: 2704800 -70.6295 5.35511 49.536 6.18075 34.6675 -17.8891 51.5416 -17.2256 20.9397 TIMING: 2704800 CPU: 7848.82, 0.00292717/step Wall: 7848.82, 0.00292717/step, 1.86623 hours remaining, 206.906250 MB of memory in use. ENERGY: 2704800 756.9084 2006.3566 1941.1818 118.1048 -206031.1882 17809.8180 0.0000 0.0000 34312.4289 -149086.3897 299.6590 -183398.8186 -148990.3286 299.6411 -63.0842 -32.1890 559424.0318 -5.0913 -5.0074 PRESSURE: 2705000 -378.285 11.1486 -182.682 11.1485 -131.694 140.612 -182.683 140.611 -217.022 GPRESSURE: 2705000 -378.183 13.8553 -166.838 14.9432 -76.6418 112.124 -98.8456 75.8065 -178.192 PRESSAVG: 2705000 -84.4261 -21.6688 40.3698 -21.6688 52.7195 65.9018 40.3698 65.9018 17.0346 GPRESSAVG: 2705000 -85.4278 -21.8693 41.5569 -22.4929 53.276 66.8339 39.0384 66.2836 17.6423 TIMING: 2705000 CPU: 7849.39, 0.0028902/step Wall: 7849.39, 0.0028902/step, 1.8425 hours remaining, 206.906250 MB of memory in use. ENERGY: 2705000 743.0286 2111.2419 1963.0325 121.1436 -205928.6604 17649.4017 0.0000 0.0000 34313.4949 -149027.3173 299.6683 -183340.8122 -148934.7244 299.5274 -242.3332 -211.0058 559359.7088 -4.8907 -4.8365 PRESSURE: 2705200 -240.534 128.819 -10.0589 128.82 -139.76 -21.9466 -10.0586 -21.9455 -137.17 GPRESSURE: 2705200 -216.92 124.734 -52.1358 148.238 -126.908 40.5055 -11.4433 22.3557 -84.8236 PRESSAVG: 2705200 29.7168 -17.1972 -29.0765 -17.1972 8.22515 -17.931 -29.0765 -17.9309 -41.1662 GPRESSAVG: 2705200 29.0956 -20.3601 -28.3704 -14.2355 7.80424 -17.6408 -28.5522 -16.9619 -40.5186 TIMING: 2705200 CPU: 7849.97, 0.00289489/step Wall: 7849.97, 0.00289489/step, 1.84533 hours remaining, 206.906250 MB of memory in use. ENERGY: 2705200 707.8800 2090.6975 1962.3290 122.1393 -205553.7463 17461.1695 0.0000 0.0000 34161.6864 -149047.8447 298.3425 -183209.5311 -148949.2968 299.8841 -172.4880 -142.8839 558801.5567 -1.0747 -1.2063 PRESSURE: 2705400 -26.3424 94.0885 9.66294 94.0887 327.737 -120.395 9.66294 -120.394 91.8802 GPRESSURE: 2705400 -24.184 57.9479 -10.0411 135.784 446.943 47.2648 -49.8882 -185.403 75.296 PRESSAVG: 2705400 37.8308 10.6713 -36.4794 10.6713 12.2935 25.0093 -36.4794 25.0093 -0.172084 GPRESSAVG: 2705400 39.08 11.9718 -35.7569 9.01075 13.3392 26.065 -37.3799 23.2277 -2.34356 TIMING: 2705400 CPU: 7850.56, 0.00292471/step Wall: 7850.56, 0.00292471/step, 1.86418 hours remaining, 206.906250 MB of memory in use. ENERGY: 2705400 736.2815 2101.4107 1982.5602 120.9577 -206284.9949 18124.1395 0.0000 0.0000 34321.9769 -148897.6683 299.7424 -183219.6452 -148807.9634 300.1206 131.0917 166.0182 557002.5562 16.6508 16.6919 PRESSURE: 2705600 69.1171 -7.02801 -79.3445 -7.02891 76.4374 27.4451 -79.3451 27.444 -119.293 GPRESSURE: 2705600 69.8253 20.9483 -53.5878 -4.4749 127.689 -11.0888 -63.5689 -6.7804 -86.4514 PRESSAVG: 2705600 -39.3205 -2.81971 -137.009 -2.81976 22.3857 18.042 -137.009 18.042 2.16361 GPRESSAVG: 2705600 -39.4363 -1.47316 -137.419 -0.877939 21.2944 18.2028 -136.475 18.6721 3.34076 TIMING: 2705600 CPU: 7851.13, 0.00286779/step Wall: 7851.13, 0.00286779/step, 1.82774 hours remaining, 206.906250 MB of memory in use. ENERGY: 2705600 726.5555 2088.6234 1971.6988 132.4195 -205937.0007 17638.1234 0.0000 0.0000 34385.7734 -148993.8067 300.2995 -183379.5801 -148887.1771 300.2944 8.7538 37.0210 557490.2296 -4.9237 -4.9337 PRESSURE: 2705800 50.3201 -10.0787 95.0741 -10.0775 6.04019 53.3169 95.0744 53.3144 -160.805 GPRESSURE: 2705800 88.3684 -49.5033 123.559 -12.3637 38.3358 76.828 16.1796 91.2933 -142.686 PRESSAVG: 2705800 -36.0114 18.3294 -7.79503 18.3294 58.4063 -32.2014 -7.79508 -32.2014 -33.5615 GPRESSAVG: 2705800 -36.2951 16.8557 -7.57931 17.0838 58.2204 -34.478 -9.8516 -29.7755 -32.6683 TIMING: 2705800 CPU: 7851.71, 0.00287639/step Wall: 7851.71, 0.00287639/step, 1.83306 hours remaining, 206.906250 MB of memory in use. ENERGY: 2705800 726.4346 2103.3631 1968.3708 108.7066 -206194.2292 17854.4541 0.0000 0.0000 34149.1642 -149283.7357 298.2331 -183432.9000 -149184.3492 299.1703 -34.8150 -5.3272 557310.0273 -3.7222 -3.5810 PRESSURE: 2706000 70.988 134.928 -53.6961 134.929 -5.20665 52.9987 -53.6966 52.9986 -122.566 GPRESSURE: 2706000 126.487 127.545 -37.6306 86.8251 -39.1608 -11.6541 -46.8336 60.4964 -53.1257 PRESSAVG: 2706000 -61.0958 -15.1652 -7.02683 -15.1653 36.9976 3.37387 -7.02684 3.37375 -35.9317 GPRESSAVG: 2706000 -60.0278 -13.1356 -9.41568 -14.8384 37.3775 4.56878 -4.85555 2.32731 -37.6805 TIMING: 2706000 CPU: 7852.29, 0.00290631/step Wall: 7852.29, 0.00290631/step, 1.85197 hours remaining, 206.906250 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: 2706000 741.6354 2089.6714 1963.9026 113.0403 -205830.6413 17586.7186 0.0000 0.0000 34110.9052 -149224.7677 297.8990 -183335.6729 -149135.3291 298.3958 -18.9283 11.4001 557747.6110 -20.0100 -20.1103 PRESSURE: 2706200 16.0908 -45.5522 -42.0833 -45.5525 46.9433 -46.5379 -42.0842 -46.5395 -118.341 GPRESSURE: 2706200 -0.989423 -34.0518 -99.0292 -43.6788 96.0954 -29.6841 -6.01286 -69.9505 -59.075 PRESSAVG: 2706200 -31.107 -30.1328 -68.7055 -30.1327 56.4147 47.4543 -68.7055 47.4543 -22.2706 GPRESSAVG: 2706200 -31.5877 -32.0556 -67.5944 -31.6344 55.439 47.9836 -67.3921 46.7722 -21.1318 TIMING: 2706200 CPU: 7852.86, 0.00288761/step Wall: 7852.86, 0.00288761/step, 1.83989 hours remaining, 206.906250 MB of memory in use. ENERGY: 2706200 750.1608 2051.9461 2002.5118 105.5712 -205860.7936 17643.8103 0.0000 0.0000 34043.3225 -149263.4710 297.3088 -183306.7935 -149171.3094 298.3425 -18.4355 12.0103 556929.6129 1.0124 0.9065 PRESSURE: 2706400 -244.186 156.304 -111.441 156.305 -127.357 -104.968 -111.442 -104.967 -200.549 GPRESSURE: 2706400 -261.04 156.558 -79.2392 128.969 -77.1632 -76.9091 -180.432 -174.769 -134.835 PRESSAVG: 2706400 -20.1791 -11.9765 -37.7585 -11.9766 51.3973 6.4656 -37.7586 6.46566 -13.115 GPRESSAVG: 2706400 -19.0962 -10.9031 -37.7288 -12.8374 50.5358 7.11463 -39.3205 6.03293 -13.2642 TIMING: 2706400 CPU: 7853.44, 0.0028856/step Wall: 7853.44, 0.0028856/step, 1.83845 hours remaining, 206.906250 MB of memory in use. ENERGY: 2706400 787.7201 2006.5054 1979.3529 103.8733 -206125.0644 17621.1274 0.0000 0.0000 34320.3629 -149306.1223 299.7283 -183626.4852 -149214.6478 299.4999 -190.6973 -157.6796 557021.7419 6.0344 6.0585 PRESSURE: 2706600 -169.805 -24.7097 3.27549 -24.7102 28.9778 41.5963 3.27592 41.5977 128.207 GPRESSURE: 2706600 -130.372 30.6016 -65.0644 -42.8048 80.6691 28.9323 43.1124 71.0155 141.866 PRESSAVG: 2706600 82.0523 -18.5815 -5.86675 -18.5816 3.08975 -24.6636 -5.86673 -24.6635 -50.1211 GPRESSAVG: 2706600 81.3564 -18.307 -6.3189 -18.4387 3.28204 -23.9068 -5.90769 -23.937 -49.1875 TIMING: 2706600 CPU: 7854.02, 0.00289941/step Wall: 7854.02, 0.0028994/step, 1.84708 hours remaining, 206.906250 MB of memory in use. ENERGY: 2706600 798.3072 2091.6928 1950.0834 112.5064 -206042.0221 17754.0451 0.0000 0.0000 34166.4788 -149168.9085 298.3844 -183335.3873 -149072.0469 299.0688 -4.2068 30.7208 556775.5777 11.6737 11.8170 PRESSURE: 2706800 60.7361 -8.0498 85.0628 -8.04891 -83.3585 88.8189 85.0613 88.8192 -32.639 GPRESSURE: 2706800 68.1129 -126.402 23.2576 58.2614 -66.0234 146.822 99.1503 -18.7531 33.43 PRESSAVG: 2706800 -56.8891 -23.3401 -17.6294 -23.3402 -38.1809 -29.2143 -17.6294 -29.2143 45.0702 GPRESSAVG: 2706800 -56.0414 -23.046 -18.1242 -22.3458 -39.2083 -31.5833 -17.9295 -27.6256 44.7982 TIMING: 2706800 CPU: 7854.6, 0.00291308/step Wall: 7854.6, 0.00291308/step, 1.85563 hours remaining, 206.906250 MB of memory in use. ENERGY: 2706800 747.3932 2090.8672 1977.0281 108.6514 -206369.8290 17789.5833 0.0000 0.0000 34412.5670 -149243.7388 300.5335 -183656.3058 -149149.1180 299.6917 -18.4205 11.8398 556418.2761 -16.6666 -16.8172 PRESSURE: 2707000 -288.478 -38.257 177.415 -38.2572 148.878 -233.446 177.414 -233.446 80.2632 GPRESSURE: 2707000 -161.298 -86.0494 199.506 -3.26331 112.985 -218.577 113.168 -291.162 86.1037 PRESSAVG: 2707000 5.97021 -25.3136 34.9476 -25.3135 80.1498 -89.9014 34.9475 -89.9015 -35.1976 GPRESSAVG: 2707000 5.0428 -25.9635 36.3116 -25.1723 81.1338 -89.1566 34.9488 -91.7504 -35.5961 TIMING: 2707000 CPU: 7855.19, 0.00293824/step Wall: 7855.19, 0.00293824/step, 1.87149 hours remaining, 206.906250 MB of memory in use. ENERGY: 2707000 763.5591 2108.3793 1943.0590 126.5630 -205917.3495 17650.4094 0.0000 0.0000 34224.9508 -149100.4288 298.8950 -183325.3797 -149003.5411 300.0702 -19.7789 12.5970 557770.7691 16.9742 16.8602 PRESSURE: 2707200 2.2581 120.887 63.4577 120.887 332.664 29.8345 63.457 29.8351 20.0314 GPRESSURE: 2707200 -15.1202 35.6407 61.9276 89.495 427.686 22.4491 91.9677 29.9354 42.1877 PRESSAVG: 2707200 -9.02725 13.7296 9.56423 13.7297 80.5081 39.7889 9.56419 39.789 -68.9418 GPRESSAVG: 2707200 -9.25374 12.1256 8.22203 12.9665 80.6075 39.2469 9.84393 39.5301 -68.3981 TIMING: 2707200 CPU: 7855.77, 0.00288701/step Wall: 7855.77, 0.00288701/step, 1.83871 hours remaining, 206.906250 MB of memory in use. ENERGY: 2707200 731.8137 2110.3283 1991.2336 124.3723 -206643.3599 18134.8132 0.0000 0.0000 34282.9026 -149267.8962 299.4011 -183550.7988 -149173.6657 299.3844 118.3177 151.5843 557782.4436 0.8463 0.9852 PRESSURE: 2707400 230.405 117.614 -7.21869 117.614 -141.687 -62.7452 -7.2184 -62.7445 -339.214 GPRESSURE: 2707400 266.407 130.014 -14.4587 181.758 -114.958 -102.337 33.2861 -91.2746 -300.995 PRESSAVG: 2707400 42.5594 2.93959 -53.3315 2.93969 20.4866 11.0742 -53.3315 11.0742 -36.3295 GPRESSAVG: 2707400 42.9233 3.93497 -52.2772 2.56984 20.8241 11.1433 -53.9699 10.2586 -36.9001 TIMING: 2707400 CPU: 7856.35, 0.00288304/step Wall: 7856.35, 0.00288304/step, 1.83602 hours remaining, 206.980469 MB of memory in use. ENERGY: 2707400 734.0805 2090.8548 1952.6234 110.5531 -206261.4772 17720.3980 0.0000 0.0000 34264.8064 -149388.1609 299.2431 -183652.9674 -149286.5465 299.1689 -83.4987 -49.8486 556553.4204 8.9055 8.9491 PRESSURE: 2707600 -115.411 -12.9694 -115.794 -12.9704 -263.3 -103.387 -115.793 -103.386 168.849 GPRESSURE: 2707600 -110.072 6.64148 -108.719 -13.5326 -150.488 -101.292 -100.603 -162.47 136.632 PRESSAVG: 2707600 -22.7477 -3.95755 9.1733 -3.95756 41.6426 -15.671 9.17335 -15.671 -15.262 GPRESSAVG: 2707600 -24.1894 -3.97909 10.6578 -3.21277 42.8057 -14.3795 8.19398 -15.1407 -15.2193 TIMING: 2707600 CPU: 7856.92, 0.00288015/step Wall: 7856.92, 0.00288015/step, 1.83401 hours remaining, 206.980469 MB of memory in use. ENERGY: 2707600 756.7239 2085.3853 1962.9119 109.5416 -206569.9756 17952.4033 0.0000 0.0000 34391.9364 -149311.0733 300.3533 -183703.0098 -149216.3280 299.1200 -69.9539 -41.3093 558089.5563 1.2109 1.1323 PRESSURE: 2707800 -215.97 73.8654 -205.84 73.8647 -155.144 -127.391 -205.84 -127.392 20.4926 GPRESSURE: 2707800 -178.853 20.5532 -97.7408 147.021 -98.3414 -11.7479 -239.466 -162.739 32.9709 PRESSAVG: 2707800 -19.7056 8.48153 23.5301 8.48152 -22.6706 -12.4465 23.53 -12.4466 57.4156 GPRESSAVG: 2707800 -18.9963 9.0065 22.6409 8.05009 -23.8142 -11.0169 24.569 -14.3716 58.1066 TIMING: 2707800 CPU: 7857.5, 0.00290261/step Wall: 7857.5, 0.00290261/step, 1.84816 hours remaining, 206.980469 MB of memory in use. ENERGY: 2707800 738.8874 2131.4122 1961.8839 115.0583 -205958.0601 17477.3251 0.0000 0.0000 34149.5511 -149383.9422 298.2365 -183533.4934 -149291.6971 298.7340 -116.8740 -81.4078 557180.8642 5.0131 5.0987 PRESSURE: 2708000 15.3581 193.008 -0.580884 193.008 -36.866 20.6625 -0.581167 20.6632 127.762 GPRESSURE: 2708000 28.4804 170.084 14.0578 150.132 43.7696 1.7119 -101.971 27.2369 134.905 PRESSAVG: 2708000 -0.0725442 -20.3198 -24.8924 -20.3198 -3.17706 -44.1443 -24.8923 -44.1442 -14.9464 GPRESSAVG: 2708000 -0.397222 -18.899 -25.9722 -20.0863 -2.30655 -47.0642 -23.9542 -41.15 -15.0974 TIMING: 2708000 CPU: 7858.08, 0.00289916/step Wall: 7858.08, 0.00289916/step, 1.8458 hours remaining, 206.980469 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: 2708000 765.2686 2063.7931 1979.2407 113.9627 -206645.5022 17958.6116 0.0000 0.0000 34303.8881 -149460.7374 299.5844 -183764.6255 -149361.2980 298.4590 35.4180 69.0516 556592.8179 -6.0653 -5.9337 PRESSURE: 2708200 -283.52 44.7437 57.9218 44.7439 -160.392 -1.61917 57.9216 -1.61881 -128.192 GPRESSURE: 2708200 -222.913 36.6808 112.878 -34.9808 -154.679 17.1373 68.5957 -12.8605 -90.1169 PRESSAVG: 2708200 -54.0477 -15.5694 32.7754 -15.5695 37.2887 -33.704 32.7754 -33.704 29.1689 GPRESSAVG: 2708200 -52.077 -16.4981 34.8902 -16.4953 35.2721 -31.5702 31.0541 -33.8914 29.2973 TIMING: 2708200 CPU: 7858.66, 0.00289987/step Wall: 7858.66, 0.00289987/step, 1.84609 hours remaining, 206.980469 MB of memory in use. ENERGY: 2708200 761.3265 2106.8494 1972.5987 94.3763 -206190.7398 17543.5770 0.0000 0.0000 34307.8503 -149404.1616 299.6190 -183712.0119 -149309.3359 298.6918 -190.7013 -155.9030 556466.6103 4.1366 4.1641 LDB: ============= START OF LOAD BALANCING ============== 7862.13 LDB: ============== END OF LOAD BALANCING =============== 7862.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7862.13 LDB: ============= START OF LOAD BALANCING ============== 7862.42 LDB: Largest compute 4821 load 0.031565 is 26.8% of average load 0.117780 LDB: Average compute 0.001728 is 1.5% of average load 0.117780 LDB: TIME 7862.42 LOAD: AVG 0.11778 MAX 0.179751 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 7862.42 LOAD: AVG 0.11778 MAX 0.179751 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: TIME 7862.42 LOAD: AVG 0.11778 MAX 0.179751 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7862.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7862.43 PRESSURE: 2708400 -426.185 -30.5121 -52.2979 -30.5133 -90.746 168.862 -52.2971 168.862 -204.402 GPRESSURE: 2708400 -390.895 66.6114 -11.0562 -111.61 -61.5507 137.907 -114.046 68.3445 -176.36 PRESSAVG: 2708400 18.5444 -29.0433 72.4329 -29.0433 42.3942 -39.2554 72.4328 -39.2554 -24.6393 GPRESSAVG: 2708400 17.2588 -30.5141 68.9831 -27.6858 43.0047 -41.1911 73.1537 -38.5304 -24.7572 TIMING: 2708400 CPU: 7859.26, 0.00296427/step Wall: 7859.26, 0.00296427/step, 1.88693 hours remaining, 207.218750 MB of memory in use. ENERGY: 2708400 756.9051 2050.5833 1993.6719 107.6344 -205757.9187 17352.0428 0.0000 0.0000 34252.4842 -149244.5970 299.1355 -183497.0812 -149146.3567 298.9810 -240.4444 -209.6020 556670.6467 12.0998 11.8354 PRESSURE: 2708600 2.25661 4.77784 -214.554 4.77761 -129.596 108.368 -214.554 108.367 14.3024 GPRESSURE: 2708600 -25.1488 66.3481 -108.603 -30.9966 -52.6645 99.898 -296.093 58.0624 57.5578 PRESSAVG: 2708600 -5.56009 9.597 -28.2996 9.5969 50.381 -45.5391 -28.2996 -45.5392 -22.1072 GPRESSAVG: 2708600 -5.27124 11.26 -25.9052 8.51672 51.2673 -45.4716 -30.1602 -46.0141 -22.3334 TIMING: 2708600 CPU: 7859.83, 0.00289898/step Wall: 7859.83, 0.00289898/step, 1.8452 hours remaining, 207.679688 MB of memory in use. ENERGY: 2708600 721.6675 2106.2429 1982.8284 127.1827 -206013.8435 17442.7943 0.0000 0.0000 34471.4406 -149161.6870 301.0477 -183633.1276 -149073.0658 299.4125 -37.6790 -6.7518 555726.0433 7.5712 7.8876 PRESSURE: 2708800 -26.971 -22.6389 -18.5243 -22.6376 292.663 131.335 -18.5245 131.334 -39.2146 GPRESSURE: 2708800 32.4751 40.3725 -27.1921 14.6544 251.79 244.299 17.036 156.433 39.0104 PRESSAVG: 2708800 -20.9005 -8.28926 -36.0833 -8.28931 43.1458 -25.1425 -36.0833 -25.1423 -8.7455 GPRESSAVG: 2708800 -22.006 -9.40609 -38.7099 -6.87909 43.5911 -23.9046 -34.2734 -25.6388 -7.94337 TIMING: 2708800 CPU: 7860.41, 0.00289897/step Wall: 7860.41, 0.00289897/step, 1.84503 hours remaining, 207.679688 MB of memory in use. ENERGY: 2708800 752.9716 2057.3899 1953.0289 116.7799 -206214.1957 17985.4980 0.0000 0.0000 34427.8252 -148920.7022 300.6668 -183348.5274 -148824.7774 300.2062 75.4925 107.7584 557604.8371 4.4999 4.5472 PRESSURE: 2709000 -249.276 245.578 -37.589 245.577 -176.881 82.0814 -37.5888 82.0803 -275.93 GPRESSURE: 2709000 -225.43 246.243 -50.9359 256.575 -142.147 95.7879 1.08946 42.2709 -236.17 PRESSAVG: 2709000 -1.80561 26.7581 20.2755 26.758 35.9931 -51.4214 20.2754 -51.4214 -64.2562 GPRESSAVG: 2709000 -0.862535 27.7035 21.7929 27.6783 36.0736 -53.6451 18.958 -49.0417 -64.8839 TIMING: 2709000 CPU: 7861, 0.00291826/step Wall: 7861, 0.00291826/step, 1.85715 hours remaining, 207.679688 MB of memory in use. ENERGY: 2709000 752.0665 2109.3882 1943.2138 112.3816 -205473.9217 17410.4274 0.0000 0.0000 34031.6905 -149114.7537 297.2072 -183146.4442 -149031.5736 299.8989 -234.0289 -201.2489 557937.5730 -10.0229 -9.8909 PRESSURE: 2709200 -131.429 -52.6245 -42.5089 -52.6232 -93.0165 130.763 -42.5075 130.763 -81.7745 GPRESSURE: 2709200 -118.294 -24.632 -14.4315 28.1244 3.48411 151.351 -49.9925 129.451 -103.418 PRESSAVG: 2709200 -70.7964 -2.69082 -8.87021 -2.69081 67.5293 16.1222 -8.87016 16.1222 -11.588 GPRESSAVG: 2709200 -71.0299 -3.64192 -10.0665 -2.24752 68.1339 16.5661 -6.38934 14.8391 -11.5613 TIMING: 2709200 CPU: 7861.58, 0.00292297/step Wall: 7861.58, 0.00292297/step, 1.85998 hours remaining, 207.679688 MB of memory in use. ENERGY: 2709200 765.1441 2133.4676 1965.3519 118.0662 -205944.7955 17643.2067 0.0000 0.0000 34392.7957 -148926.7633 300.3608 -183319.5590 -148829.7484 300.0259 -102.0735 -72.7427 558728.2888 -4.9517 -4.8191 PRESSURE: 2709400 -65.009 -8.99005 30.6864 -8.99109 44.0373 15.7463 30.6864 15.7473 22.361 GPRESSURE: 2709400 -48.0109 52.716 -18.488 -49.2366 133.914 4.94879 14.7464 27.6654 11.9236 PRESSAVG: 2709400 -19.5697 -4.96296 38.9131 -4.96295 15.8904 8.14303 38.9132 8.14299 1.27356 GPRESSAVG: 2709400 -19.435 -5.56094 40.5912 -5.17904 15.3248 8.55322 36.3344 8.69274 1.48254 TIMING: 2709400 CPU: 7862.16, 0.00289759/step Wall: 7862.16, 0.00289759/step, 1.84367 hours remaining, 207.679688 MB of memory in use. ENERGY: 2709400 742.6464 2073.6580 1949.7629 119.1339 -205945.2727 17613.3094 0.0000 0.0000 34372.2292 -149074.5329 300.1812 -183446.7620 -148979.2931 300.6830 0.4631 32.6089 555768.8461 -0.8019 -0.8759 PRESSURE: 2709600 169.045 -19.1752 52.7075 -19.1761 235.236 42.5884 52.7082 42.589 39.9187 GPRESSURE: 2709600 230.379 -48.4713 124.779 -13.5156 258.173 71.4161 87.9133 91.0079 57.5418 PRESSAVG: 2709600 -23.2225 1.03261 -5.50955 1.03262 61.7579 29.904 -5.50952 29.9039 -30.4736 GPRESSAVG: 2709600 -22.7016 1.03831 -4.56978 0.850699 62.4135 30.0522 -4.358 29.2542 -31.3229 TIMING: 2709600 CPU: 7862.75, 0.00291907/step Wall: 7862.75, 0.00291907/step, 1.85718 hours remaining, 207.679688 MB of memory in use. ENERGY: 2709600 747.1768 2146.2950 1959.1905 122.0984 -206508.8034 18005.7242 0.0000 0.0000 34191.2836 -149337.0350 298.6010 -183528.3185 -149237.4698 299.6209 148.0667 182.0311 555134.7358 2.6873 2.7964 PRESSURE: 2709800 9.46774 -90.0753 67.5383 -90.0756 -151.523 -59.9857 67.5387 -59.9868 -42.5174 GPRESSURE: 2709800 -14.6762 -125.627 124.594 -11.6709 -116.72 -102.28 65.8307 -74.8125 42.0862 PRESSAVG: 2709800 -51.5029 12.4932 14.4001 12.4932 10.6071 36.8885 14.4001 36.8885 33.9099 GPRESSAVG: 2709800 -51.5117 11.9802 13.1161 11.7023 10.7816 36.1349 11.9135 36.5612 33.6633 TIMING: 2709800 CPU: 7863.33, 0.0029427/step Wall: 7863.33, 0.0029427/step, 1.87205 hours remaining, 207.679688 MB of memory in use. ENERGY: 2709800 767.9767 2079.5115 1964.1951 116.5931 -206349.4699 17828.8342 0.0000 0.0000 34216.1047 -149376.2546 298.8178 -183592.3593 -149276.8167 298.9894 -61.5241 -29.7701 557390.7426 -2.3286 -2.3556 PRESSURE: 2710000 -161.181 42.8456 -44.5362 42.8461 205.39 74.2375 -44.536 74.238 22.7072 GPRESSURE: 2710000 -112.754 57.111 -143.206 -0.559367 217.379 104.384 27.5584 36.9996 53.7393 PRESSAVG: 2710000 -39.3125 57.3257 12.6348 57.3257 -5.06824 46.6008 12.6349 46.6007 4.32537 GPRESSAVG: 2710000 -39.0354 57.8294 12.5705 57.9605 -5.93329 47.5105 13.0115 47.8789 4.87888 TIMING: 2710000 CPU: 7863.92, 0.00292192/step Wall: 7863.92, 0.00292192/step, 1.85866 hours remaining, 207.679688 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: 2710000 707.2758 2113.4347 1966.0977 94.0150 -206721.9338 17983.1714 0.0000 0.0000 34372.7210 -149485.2182 300.1855 -183857.9392 -149384.0944 299.0137 22.3054 52.7881 557348.5882 -13.3518 -13.3633 PRESSURE: 2710200 -41.8184 227.353 -42.3877 227.353 -68.6756 126.204 -42.3892 126.204 88.776 GPRESSURE: 2710200 28.5307 313.678 -20.6938 195.659 -68.4183 115.192 16.5125 80.6443 121.926 PRESSAVG: 2710200 -31.5444 15.4203 17.7292 15.4202 46.4139 13.5853 17.7292 13.5854 -7.72987 GPRESSAVG: 2710200 -31.1615 16.2961 16.0748 12.6536 46.5993 13.6353 20.2952 11.4308 -8.75288 TIMING: 2710200 CPU: 7864.5, 0.00291551/step Wall: 7864.5, 0.00291551/step, 1.85443 hours remaining, 207.679688 MB of memory in use. ENERGY: 2710200 747.0516 2112.5997 2001.3372 120.3665 -206543.6150 17844.8092 0.0000 0.0000 34181.8745 -149535.5762 298.5188 -183717.4506 -149437.5680 298.1949 -7.2394 27.3462 556723.4846 2.3799 2.2283 PRESSURE: 2710400 53.998 -135.9 119.569 -135.9 -205.908 157.488 119.569 157.488 32.375 GPRESSURE: 2710400 87.6397 -112.524 115.762 -118.609 -159.131 58.1881 82.8984 155.933 48.8537 PRESSAVG: 2710400 26.4494 -41.2967 -44.0845 -41.2968 -65.1766 63.3048 -44.0847 63.3047 23.6169 GPRESSAVG: 2710400 25.5168 -39.8323 -42.575 -40.3607 -65.3233 63.2899 -46.2686 64.443 24.1181 TIMING: 2710400 CPU: 7865.09, 0.0029382/step Wall: 7865.09, 0.0029382/step, 1.86869 hours remaining, 207.679688 MB of memory in use. ENERGY: 2710400 781.7956 2114.7338 1973.5595 113.6957 -206703.0181 17988.3095 0.0000 0.0000 34148.4351 -149582.4890 298.2268 -183730.9241 -149488.9038 298.4610 -39.8451 -7.5458 557375.0621 -5.0367 -5.2295 PRESSURE: 2710600 63.22 -59.124 -188.14 -59.1234 90.6541 -123.72 -188.139 -123.719 221.01 GPRESSURE: 2710600 86.9838 -62.565 -174.186 -70.2836 103.564 -75.3903 -205.238 -60.0026 291.477 PRESSAVG: 2710600 -22.7995 -32.8313 -60.7543 -32.8313 -24.6162 42.7589 -60.7543 42.7587 14.97 GPRESSAVG: 2710600 -22.1842 -34.3659 -60.0046 -33.5961 -25.6503 43.218 -59.2796 42.2067 15.674 TIMING: 2710600 CPU: 7865.67, 0.00290519/step Wall: 7865.67, 0.00290519/step, 1.84754 hours remaining, 207.679688 MB of memory in use. ENERGY: 2710600 721.4861 2098.1680 1954.1961 108.7098 -206536.5315 17877.3932 0.0000 0.0000 34213.0015 -149563.5767 298.7907 -183776.5782 -149464.1415 298.2071 124.9614 160.6751 556338.5116 -10.8152 -10.7202 PRESSURE: 2710800 54.2173 -32.0207 133.274 -32.02 218.18 -101.044 133.273 -101.046 157.867 GPRESSURE: 2710800 79.5291 -48.7829 225.748 -65.7919 250.604 -79.834 102.034 -87.9521 195.626 PRESSAVG: 2710800 28.7208 -22.705 -20.378 -22.7049 -73.7742 24.054 -20.378 24.054 81.7507 GPRESSAVG: 2710800 28.2567 -24.3942 -20.5927 -20.3908 -73.0052 21.9047 -21.7197 25.5939 81.468 TIMING: 2710800 CPU: 7866.25, 0.00291263/step Wall: 7866.25, 0.00291263/step, 1.85211 hours remaining, 207.679688 MB of memory in use. ENERGY: 2710800 729.3632 2114.1884 1967.4336 115.5219 -206925.3392 18146.2511 0.0000 0.0000 34408.6766 -149443.9045 300.4995 -183852.5811 -149335.2657 299.5029 143.4214 175.2529 556230.0725 12.2324 12.2398 PRESSURE: 2711000 32.6574 -161.941 -84.4895 -161.941 -115.225 15.1634 -84.4888 15.1622 125.151 GPRESSURE: 2711000 54.9343 -155.318 -161.192 -120.636 -97.4523 -12.6672 -43.399 51.1246 165.788 PRESSAVG: 2711000 -18.0116 -25.8241 10.1617 -25.824 -8.06168 -26.7816 10.1616 -26.7816 12.6454 GPRESSAVG: 2711000 -17.2973 -24.3809 9.47547 -26.1186 -8.62224 -25.3681 12.5931 -25.6355 12.3512 TIMING: 2711000 CPU: 7866.84, 0.00291934/step Wall: 7866.84, 0.00291934/step, 1.85622 hours remaining, 207.679688 MB of memory in use. ENERGY: 2711000 751.4292 2112.3566 1952.9289 117.7219 -206232.0861 17660.9346 0.0000 0.0000 34217.9439 -149418.7709 298.8338 -183636.7148 -149318.4950 299.4521 14.1944 41.0902 556652.5085 -4.4760 -4.5228 PRESSURE: 2711200 -124.767 -58.7534 -23.2692 -58.7532 76.8174 -105.187 -23.2689 -105.186 -177.263 GPRESSURE: 2711200 -84.4922 -17.8296 -26.2746 -13.0148 108.447 31.0593 -74.5274 -186.502 -149.411 PRESSAVG: 2711200 -26.5672 -34.4725 67.5494 -34.4725 32.5597 -4.81284 67.5495 -4.8128 22.685 GPRESSAVG: 2711200 -25.5919 -33.4924 66.0736 -35.7171 32.6671 -3.73268 66.9146 -5.92316 22.2421 TIMING: 2711200 CPU: 7867.42, 0.00293334/step Wall: 7867.42, 0.00293334/step, 1.86495 hours remaining, 207.679688 MB of memory in use. ENERGY: 2711200 711.2838 2035.7001 1978.8402 122.6518 -205799.1007 17525.4660 0.0000 0.0000 34182.0523 -149243.1065 298.5204 -183425.1588 -149140.9159 298.8191 -75.0708 -41.8187 557012.1844 9.5591 9.7724 PRESSURE: 2711400 -169.346 -16.2667 -60.1855 -16.267 -46.4323 -28.9496 -60.1865 -28.9497 -112.021 GPRESSURE: 2711400 -132.228 -95.4048 -201.537 31.8128 -18.0329 -73.5699 -15.3646 -111.062 -85.6662 PRESSAVG: 2711400 -69.0232 -22.6182 -4.57058 -22.6182 12.0167 8.41674 -4.57065 8.41685 66.1932 GPRESSAVG: 2711400 -69.8054 -24.1647 -2.44972 -21.4925 11.0237 7.3558 -6.52587 7.97132 67.6594 TIMING: 2711400 CPU: 7868, 0.0029/step Wall: 7868, 0.0029/step, 1.84359 hours remaining, 207.679688 MB of memory in use. ENERGY: 2711400 752.2924 2079.9699 1972.7757 99.1951 -206147.3137 17752.4124 0.0000 0.0000 34479.7785 -149010.8896 301.1205 -183490.6681 -148909.9374 299.7735 -109.2665 -78.6425 558541.6916 3.0622 2.9592 PRESSURE: 2711600 80.7291 -52.4267 -90.6762 -52.4264 -199.532 -96.8346 -90.677 -96.8342 146.047 GPRESSURE: 2711600 108.169 -35.7654 -46.6283 -69.7032 -145.883 -71.7067 -98.0849 -74.0789 163.319 PRESSAVG: 2711600 -27.9462 -22.5832 -32.2652 -22.5831 -25.1737 -5.48159 -32.2653 -5.48156 39.7026 GPRESSAVG: 2711600 -27.6112 -23.9322 -32.8492 -20.3857 -24.8858 -5.75881 -30.0647 -6.24551 39.5642 TIMING: 2711600 CPU: 7868.58, 0.00288808/step Wall: 7868.58, 0.00288808/step, 1.83585 hours remaining, 207.679688 MB of memory in use. ENERGY: 2711600 720.7784 2088.7602 1950.5163 114.1248 -206135.4043 17862.0119 0.0000 0.0000 34249.5386 -149149.6740 299.1097 -183399.2126 -149046.6077 299.3957 9.0812 41.8680 558459.8415 -4.4724 -4.3109 PRESSURE: 2711800 160.29 34.9307 -62.857 34.9293 71.6939 -47.5078 -62.8564 -47.508 -300.667 GPRESSURE: 2711800 133.556 6.62062 -27.8599 73.7146 104.163 21.9187 -24.8865 39.8637 -204.311 PRESSAVG: 2711800 3.02712 -53.8881 -12.3047 -53.8882 -55.8781 35.3385 -12.3047 35.3386 -10.9928 GPRESSAVG: 2711800 3.68389 -53.3622 -10.4319 -53.6932 -56.2516 35.6828 -15.1549 33.7662 -11.1502 TIMING: 2711800 CPU: 7869.16, 0.00290258/step Wall: 7869.16, 0.00290258/step, 1.84491 hours remaining, 207.679688 MB of memory in use. ENERGY: 2711800 750.7207 2118.6021 1954.3332 111.7191 -206246.4468 17879.0583 0.0000 0.0000 34177.9245 -149254.0888 298.4843 -183432.0133 -149158.5244 299.2905 -22.8943 11.1361 557858.4880 -21.2813 -21.2393 PRESSURE: 2712000 -150.682 38.1306 199.787 38.1311 -158.738 -2.59266 199.787 -2.59143 -76.4455 GPRESSURE: 2712000 -156.2 46.0794 183.412 -20.5059 -127.687 -12.3746 192.346 77.2368 -14.4873 PRESSAVG: 2712000 -44.1708 -32.0391 0.612345 -32.0392 -32.0141 27.9518 0.612333 27.9517 109.561 GPRESSAVG: 2712000 -44.0164 -30.1076 -0.166258 -34.0898 -31.2249 26.8824 2.49655 31.8581 108.878 TIMING: 2712000 CPU: 7869.74, 0.00291173/step Wall: 7869.74, 0.00291173/step, 1.85057 hours remaining, 207.757812 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: 2712000 713.9932 2091.0809 1950.8053 106.8089 -206351.9844 17888.9041 0.0000 0.0000 34215.1066 -149385.2854 298.8090 -183600.3921 -149284.8804 298.9713 -128.6220 -99.4580 560498.5408 11.1255 11.2121 PRESSURE: 2712200 -110.523 -37.0624 166.476 -37.0619 -177.947 -70.8511 166.475 -70.8494 -132.42 GPRESSURE: 2712200 -101.51 -16.7096 174.749 34.1427 -143.754 -69.2791 83.847 -36.0779 -86.2949 PRESSAVG: 2712200 15.6777 -9.43655 -12.769 -9.43661 -46.2614 -35.4937 -12.769 -35.4938 -18.292 GPRESSAVG: 2712200 14.9945 -8.00951 -13.937 -10.148 -47.0496 -33.6229 -12.4552 -37.0331 -17.3834 TIMING: 2712200 CPU: 7870.32, 0.00289847/step Wall: 7870.32, 0.00289847/step, 1.84198 hours remaining, 207.757812 MB of memory in use. ENERGY: 2712200 717.9009 2066.0537 1981.7238 120.4221 -205993.1478 17669.1999 0.0000 0.0000 34061.8400 -149376.0075 297.4705 -183437.8475 -149273.2289 298.4832 -140.2965 -110.5198 559493.5284 -16.2919 -16.4795 LDB: ============= START OF LOAD BALANCING ============== 7873.79 LDB: ============== END OF LOAD BALANCING =============== 7873.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7873.79 LDB: ============= START OF LOAD BALANCING ============== 7874.09 LDB: Largest compute 4821 load 0.032634 is 27.7% of average load 0.117746 LDB: Average compute 0.001726 is 1.5% of average load 0.117746 LDB: TIME 7874.09 LOAD: AVG 0.117746 MAX 0.177023 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.312 MB LDB: TIME 7874.09 LOAD: AVG 0.117746 MAX 0.177023 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.516 MB LDB: TIME 7874.09 LOAD: AVG 0.117746 MAX 0.177023 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.516 MB LDB: ============== END OF LOAD BALANCING =============== 7874.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7874.09 PRESSURE: 2712400 36.9135 38.4437 225.792 38.4441 -9.00369 137.498 225.792 137.497 -67.0616 GPRESSURE: 2712400 119.754 108.33 151.741 -59.3979 -12.8369 156.594 311.322 152.556 -40.9764 PRESSAVG: 2712400 54.5458 -43.08 21.8768 -43.0799 -15.4148 37.7074 21.8768 37.7074 -21.4695 GPRESSAVG: 2712400 53.7957 -44.2672 23.8997 -41.3864 -14.7716 38.5718 22.2445 37.5903 -20.5893 TIMING: 2712400 CPU: 7870.92, 0.00297194/step Wall: 7870.92, 0.00297194/step, 1.8885 hours remaining, 206.390625 MB of memory in use. ENERGY: 2712400 750.4066 2066.6864 1992.7070 119.0464 -206618.5938 18049.8210 0.0000 0.0000 34250.5582 -149389.3682 299.1186 -183639.9264 -149290.4771 298.4818 -13.0506 21.9803 557578.1303 5.8872 6.1450 PRESSURE: 2712600 -133.261 65.7765 49.2208 65.7763 -287.751 159.823 49.2192 159.822 -91.8586 GPRESSURE: 2712600 -109.229 83.4295 55.1687 101.003 -212.561 71.5604 124.301 145.02 -89.051 PRESSAVG: 2712600 -18.5102 -6.37208 47.1272 -6.37217 -50.2505 5.71765 47.1272 5.71764 33.0606 GPRESSAVG: 2712600 -16.9138 -4.51631 47.4843 -7.77054 -50.5588 5.16113 45.9131 5.10275 32.5192 TIMING: 2712600 CPU: 7871.5, 0.00289946/step Wall: 7871.5, 0.00289946/step, 1.84229 hours remaining, 206.960938 MB of memory in use. ENERGY: 2712600 817.5427 2111.3245 1996.6008 120.9416 -206425.6038 17878.2325 0.0000 0.0000 34301.3725 -149199.5892 299.5624 -183500.9617 -149100.8513 298.5321 -170.9567 -136.9469 558107.8531 -11.9000 -11.6512 PRESSURE: 2712800 38.8839 83.4199 77.5367 83.4196 26.9393 135.09 77.5362 135.088 30.7198 GPRESSURE: 2712800 77.3153 121.9 63.3295 42.6413 100.673 72.8672 13.1067 90.7786 19.3901 PRESSAVG: 2712800 9.67755 -27.8488 -7.11727 -27.8489 -19.5592 40.3881 -7.11712 40.3882 34.3196 GPRESSAVG: 2712800 9.85611 -29.4841 -6.0803 -26.4391 -18.8956 39.5017 -8.38014 43.1383 33.603 TIMING: 2712800 CPU: 7872.08, 0.00291906/step Wall: 7872.08, 0.00291906/step, 1.85458 hours remaining, 206.960938 MB of memory in use. ENERGY: 2712800 698.7831 2085.4985 1952.8496 123.7929 -206450.2198 18033.7385 0.0000 0.0000 34420.3588 -149135.1984 300.6016 -183555.5572 -149042.7344 299.0163 32.1810 65.7927 559676.7302 8.1460 8.1878 PRESSURE: 2713000 -91.8645 -114.925 -110.479 -114.924 -158.328 -2.19954 -110.479 -2.19992 -191.198 GPRESSURE: 2713000 -37.2776 -72.8405 -82.7792 -78.0448 -121.799 2.30198 -123.659 32.3242 -186.434 PRESSAVG: 2713000 8.66124 -6.37013 -63.1615 -6.37019 -37.9269 -9.2748 -63.1615 -9.27486 6.40164 GPRESSAVG: 2713000 7.87972 -6.26675 -66.1792 -7.00877 -38.7727 -8.77228 -59.8634 -12.5388 8.23327 TIMING: 2713000 CPU: 7872.67, 0.00291323/step Wall: 7872.67, 0.00291323/step, 1.85071 hours remaining, 206.960938 MB of memory in use. ENERGY: 2713000 766.6085 2136.2941 1960.6922 111.3258 -206037.8736 17650.2563 0.0000 0.0000 34147.1941 -149265.5025 298.2159 -183412.6966 -149167.9028 299.1075 -147.1301 -115.1703 558792.0959 -7.6213 -7.5532 PRESSURE: 2713200 -41.557 -1.73742 209.118 -1.73824 -252.059 123.173 209.119 123.172 -135.386 GPRESSURE: 2713200 -2.40733 -103.637 234.329 75.28 -186.211 161.595 167.178 176.311 -145.677 PRESSAVG: 2713200 70.8644 4.32105 39.2086 4.32101 -64.5179 -1.94777 39.2086 -1.94793 -13.6368 GPRESSAVG: 2713200 70.7601 2.40497 39.7891 4.92081 -64.4249 -1.04323 37.5997 -2.56178 -14.1243 TIMING: 2713200 CPU: 7873.25, 0.00292168/step Wall: 7873.25, 0.00292168/step, 1.85592 hours remaining, 206.960938 MB of memory in use. ENERGY: 2713200 722.9376 2074.1381 1956.8728 109.6411 -206084.5587 17656.8655 0.0000 0.0000 34276.9557 -149287.1478 299.3492 -183564.1036 -149181.3653 298.5032 -143.0007 -111.4316 558845.4741 -2.4301 -2.5963 PRESSURE: 2713400 108.383 -6.45417 -224.697 -6.45583 -163.301 -64.6075 -224.696 -64.6078 -119.769 GPRESSURE: 2713400 196.722 -53.8004 -162.689 -35.9715 -111.324 39.1012 -286.747 -124.469 -168.46 PRESSAVG: 2713400 -6.4628 25.3352 -1.00056 25.3352 -29.8643 -14.8739 -1.00064 -14.8739 -33.8777 GPRESSAVG: 2713400 -6.18636 25.3691 -2.66438 26.1084 -29.0882 -17.0193 -1.25089 -11.5309 -35.2726 TIMING: 2713400 CPU: 7873.83, 0.00292787/step Wall: 7873.83, 0.00292787/step, 1.85969 hours remaining, 207.164062 MB of memory in use. ENERGY: 2713400 769.9924 2118.8021 1986.0081 108.0376 -206352.6678 17885.7100 0.0000 0.0000 34307.0813 -149177.0364 299.6123 -183484.1177 -149085.2468 298.5805 -58.2291 -27.6872 558614.7574 -23.4016 -23.5157 PRESSURE: 2713600 -7.43035 124.228 125.331 124.229 -84.9411 -7.46072 125.331 -7.46049 -99.3024 GPRESSURE: 2713600 10.8605 122.154 83.6974 103.293 -44.672 -22.3676 174.005 -45.901 -55.3028 PRESSAVG: 2713600 -22.4151 -46.3967 -23.1295 -46.3967 63.0797 -57.4264 -23.1294 -57.4264 -30.8664 GPRESSAVG: 2713600 -22.7735 -43.8682 -21.8415 -47.4431 62.6812 -56.273 -21.8934 -58.715 -29.5879 TIMING: 2713600 CPU: 7874.42, 0.00292985/step Wall: 7874.42, 0.00292985/step, 1.86078 hours remaining, 207.164062 MB of memory in use. ENERGY: 2713600 765.6533 2064.1676 1981.5738 116.1563 -205744.7847 17707.4719 0.0000 0.0000 34103.3823 -149006.3796 297.8333 -183109.7619 -148910.6512 298.3142 -63.8913 -29.7048 559200.5764 3.2660 3.4400 PRESSURE: 2713800 176.521 -34.0679 -66.0893 -34.0679 230.257 -150.163 -66.0886 -150.164 19.3176 GPRESSURE: 2713800 203.792 -56.538 -124.164 19.4883 284.141 -267.806 -73.6626 -46.8395 47.1584 PRESSAVG: 2713800 3.76411 -30.205 -49.0884 -30.2051 66.9807 -23.0126 -49.0883 -23.0127 -31.3581 GPRESSAVG: 2713800 2.97062 -30.2383 -48.0122 -29.682 66.6801 -22.6556 -53.3915 -23.8156 -29.9409 TIMING: 2713800 CPU: 7875, 0.00291376/step Wall: 7875, 0.00291376/step, 1.8504 hours remaining, 207.164062 MB of memory in use. ENERGY: 2713800 732.1604 2059.8887 1956.3313 111.0083 -206130.7587 17946.8096 0.0000 0.0000 34280.9849 -149043.5756 299.3844 -183324.5605 -148941.3535 299.3596 142.0317 178.3637 557008.1218 13.1289 13.2366 PRESSURE: 2714000 100.645 -96.5963 -135.292 -96.5967 256.889 25.4349 -135.291 25.436 150.69 GPRESSURE: 2714000 151.612 -86.3341 -156.005 -135.338 264.984 -48.5914 -23.3365 55.1724 189.221 PRESSAVG: 2714000 -20.1671 -2.91024 17.6204 -2.91028 38.6588 -24.6927 17.6204 -24.6926 -33.816 GPRESSAVG: 2714000 -19.0887 -2.38201 18.4933 -4.59616 38.6337 -24.9897 19.6678 -24.5121 -34.2471 TIMING: 2714000 CPU: 7875.59, 0.00290689/step Wall: 7875.59, 0.00290689/step, 1.84588 hours remaining, 207.164062 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: 2714000 718.6618 2064.1500 1986.1842 113.7660 -205996.1403 17907.7761 0.0000 0.0000 34294.5530 -148911.0492 299.5029 -183205.6022 -148812.7507 299.3703 169.4080 201.9390 555330.5228 -5.1081 -4.9007 PRESSURE: 2714200 -137.08 30.4441 59.7768 30.4438 59.045 35.7808 59.7762 35.7805 -29.0153 GPRESSURE: 2714200 -46.7133 84.6867 39.4516 19.998 93.0857 105.559 68.0202 114.017 -50.5568 PRESSAVG: 2714200 4.58703 -29.5325 -3.05848 -29.5324 14.1276 35.0198 -3.05853 35.0198 -5.52347 GPRESSAVG: 2714200 4.50955 -30.503 -4.75832 -29.2905 14.2486 35.3265 -1.55291 34.9143 -6.07705 TIMING: 2714200 CPU: 7876.17, 0.00290235/step Wall: 7876.17, 0.00290235/step, 1.84283 hours remaining, 207.164062 MB of memory in use. ENERGY: 2714200 729.8307 2080.5588 1927.7968 120.6715 -205911.3104 17589.0784 0.0000 0.0000 34316.6933 -149146.6809 299.6962 -183463.3742 -149051.5169 299.5407 -35.6835 -1.3948 557052.5229 4.3970 4.2270 PRESSURE: 2714400 -16.1268 1.16669 14.5612 1.16703 25.2433 -107.748 14.5592 -107.749 60.1299 GPRESSURE: 2714400 52.0952 79.607 11.0873 -14.1115 42.7572 -55.1681 16.5611 -199.285 72.8581 PRESSAVG: 2714400 9.29999 -58.9776 -2.44997 -58.9776 30.5528 -6.09834 -2.45009 -6.09846 -41.3717 GPRESSAVG: 2714400 9.35916 -58.5479 -1.06983 -59.3248 30.6423 -5.98008 -4.36547 -6.97129 -41.1217 TIMING: 2714400 CPU: 7876.75, 0.00293098/step Wall: 7876.75, 0.00293098/step, 1.86085 hours remaining, 207.164062 MB of memory in use. ENERGY: 2714400 717.5199 2065.4894 1991.2573 101.3226 -206272.3896 17785.0295 0.0000 0.0000 34339.1276 -149272.6433 299.8921 -183611.7709 -149176.3771 298.5784 23.0822 55.9035 557668.4929 -0.5063 -0.3734 PRESSURE: 2714600 40.6786 102.597 -29.3835 102.597 1.14849 -142.292 -29.3831 -142.291 142.616 GPRESSURE: 2714600 63.8303 91.533 -85.9878 79.2399 56.721 -157.123 -38.8607 -174.768 161.257 PRESSAVG: 2714600 4.4504 -0.995363 27.0826 -0.995394 -40.0164 -56.3237 27.0825 -56.3237 14.4775 GPRESSAVG: 2714600 4.29296 -2.88325 25.0181 0.996544 -39.2988 -55.3776 28.4479 -54.9461 13.9938 TIMING: 2714600 CPU: 7877.33, 0.00289671/step Wall: 7877.33, 0.00289671/step, 1.83893 hours remaining, 207.164062 MB of memory in use. ENERGY: 2714600 749.9972 2015.9756 1958.0125 122.8749 -206494.0467 18010.0774 0.0000 0.0000 34385.9343 -149251.1749 300.3009 -183637.1091 -149151.2279 299.4141 61.4811 93.9361 556447.4236 -7.0295 -7.0040 PRESSURE: 2714800 78.9997 -123.169 -68.369 -123.168 -147.721 173.421 -68.3686 173.421 7.37715 GPRESSURE: 2714800 135.296 -128.276 -98.0674 -190.422 -150.41 153.976 -32.5758 269.109 45.2943 PRESSAVG: 2714800 9.53909 -6.04079 11.7175 -6.04082 -58.7189 -13.4199 11.7175 -13.4199 15.6375 GPRESSAVG: 2714800 9.63655 -6.69159 12.2721 -6.04343 -59.6908 -12.9176 10.7189 -11.7502 16.5868 TIMING: 2714800 CPU: 7877.91, 0.00287168/step Wall: 7877.91, 0.00287168/step, 1.82288 hours remaining, 207.164062 MB of memory in use. ENERGY: 2714800 749.1387 2046.4242 1970.2272 123.4019 -206196.2790 17967.8978 0.0000 0.0000 34116.1340 -149223.0553 297.9447 -183339.1893 -149126.3787 298.9825 -20.4479 10.0598 558493.3718 -11.1808 -11.1558 PRESSURE: 2715000 230.101 -6.39563 -8.99985 -6.3961 -111.115 -136.193 -9.00132 -136.194 79.5341 GPRESSURE: 2715000 264.588 -89.3197 121.59 98.2484 -126.521 -137.809 -44.272 -181.582 161.474 PRESSAVG: 2715000 3.07704 -8.89998 33.79 -8.89998 1.07675 -37.2381 33.79 -37.2379 12.744 GPRESSAVG: 2715000 2.77329 -9.23963 34.82 -9.59398 1.127 -38.6168 33.1604 -37.6936 12.9193 TIMING: 2715000 CPU: 7878.48, 0.00288557/step Wall: 7878.48, 0.00288557/step, 1.83154 hours remaining, 207.164062 MB of memory in use. ENERGY: 2715000 722.8788 2126.0055 1947.7647 118.3788 -206252.1622 17914.3654 0.0000 0.0000 34135.7508 -149287.0182 298.1160 -183422.7689 -149191.7059 299.2640 66.1733 99.8473 557475.4885 5.6326 5.6065 PRESSURE: 2715200 4.14812 43.1491 -40.3388 43.1484 12.3449 -16.6435 -40.3392 -16.6427 65.5595 GPRESSURE: 2715200 40.0266 50.4388 -16.3902 11.4905 88.2247 -6.50874 9.95315 -33.2802 53.7589 PRESSAVG: 2715200 10.9826 16.7058 23.4919 16.7058 21.524 -30.3922 23.4919 -30.3923 -11.9174 GPRESSAVG: 2715200 11.3293 19.8549 22.9133 14.9421 22.2588 -30.2119 23.589 -29.9858 -13.1004 TIMING: 2715200 CPU: 7879.07, 0.00292934/step Wall: 7879.07, 0.00292934/step, 1.85916 hours remaining, 207.164062 MB of memory in use. ENERGY: 2715200 727.8204 2110.3126 1948.8381 110.2789 -206122.6524 17828.1102 0.0000 0.0000 34099.0329 -149298.2594 297.7953 -183397.2923 -149202.9150 299.2139 27.3509 60.6700 556959.0131 6.8630 6.8292 PRESSURE: 2715400 41.8796 -135.916 243.967 -135.916 83.341 -127.766 243.968 -127.766 -398.157 GPRESSURE: 2715400 82.314 -119.046 154.729 -92.6301 71.9647 -119.051 329.071 -58.2677 -334.498 PRESSAVG: 2715400 7.88945 8.87279 95.2682 8.87275 33.0773 -70.6104 95.2682 -70.6105 -44.3807 GPRESSAVG: 2715400 7.75564 6.6709 93.4787 11.5725 31.7729 -70.1138 96.2354 -68.393 -43.0331 TIMING: 2715400 CPU: 7879.65, 0.00289514/step Wall: 7879.65, 0.00289514/step, 1.83729 hours remaining, 207.164062 MB of memory in use. ENERGY: 2715400 753.8615 2083.3797 1944.9593 115.3100 -206221.5596 17677.7541 0.0000 0.0000 34323.6981 -149322.5969 299.7574 -183646.2951 -149230.4944 298.8183 -90.9789 -60.0732 557488.6293 -1.1380 -1.1682 PRESSURE: 2715600 -8.5323 -117.52 219.277 -117.52 -102.786 -64.8845 219.276 -64.8845 188.823 GPRESSURE: 2715600 -39.4609 -100.293 272.649 -52.6748 -25.7187 -35.7083 164.873 -164.806 230.686 PRESSAVG: 2715600 -0.955896 2.99039 48.459 2.99043 3.93221 -28.0275 48.4591 -28.0274 -30.7674 GPRESSAVG: 2715600 0.354269 2.9307 50.7098 2.82107 3.90383 -28.8606 48.2297 -28.8572 -32.2436 TIMING: 2715600 CPU: 7880.23, 0.00290291/step Wall: 7880.23, 0.00290291/step, 1.84206 hours remaining, 207.164062 MB of memory in use. ENERGY: 2715600 721.1090 2062.8703 1961.1831 130.3150 -206347.5280 17915.1962 0.0000 0.0000 34340.2518 -149216.6026 299.9020 -183556.8545 -149120.8195 299.0732 25.8350 55.1688 557110.8447 -9.2637 -9.3285 PRESSURE: 2715800 9.66825 -67.7238 25.8868 -67.7251 -113.409 24.3245 25.8863 24.3256 -142.588 GPRESSURE: 2715800 89.0415 -121.485 14.6326 22.9774 -78.8292 3.85856 -38.8553 101.797 -156.45 PRESSAVG: 2715800 47.3359 -18.2803 -13.2794 -18.2803 -14.2611 -14.2091 -13.2794 -14.2091 -31.3802 GPRESSAVG: 2715800 46.6679 -17.8162 -13.4905 -20.6199 -14.2854 -12.7893 -14.4739 -15.0254 -30.6384 TIMING: 2715800 CPU: 7880.81, 0.00291129/step Wall: 7880.81, 0.00291129/step, 1.84721 hours remaining, 207.164062 MB of memory in use. ENERGY: 2715800 737.3848 2123.8487 1935.4434 110.4560 -206106.8191 17675.7783 0.0000 0.0000 34319.0516 -149204.8564 299.7168 -183523.9080 -149110.8307 299.3701 -82.1099 -48.7459 558345.0945 0.5648 0.5814 PRESSURE: 2716000 -22.2338 18.6209 -45.628 18.6205 -138.14 6.27871 -45.6278 6.27919 2.33406 GPRESSURE: 2716000 -82.7547 -30.3709 -29.5476 -24.6246 -53.4982 23.1202 -54.0917 -23.7699 77.1581 PRESSAVG: 2716000 -0.392635 -40.5624 13.5616 -40.5625 54.7255 19.7499 13.5616 19.7499 -26.3849 GPRESSAVG: 2716000 -1.57208 -38.9508 13.3638 -40.4373 55.414 18.6418 14.902 20.1451 -26.1045 TIMING: 2716000 CPU: 7881.39, 0.00291084/step Wall: 7881.39, 0.00291084/step, 1.84677 hours remaining, 207.164062 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: 2716000 698.9800 2068.5592 1975.4719 113.3393 -205862.7612 17676.2658 0.0000 0.0000 34203.2188 -149126.9261 298.7052 -183330.1450 -149030.5183 299.6082 -52.6799 -19.6983 556477.3902 9.3160 9.2458 PRESSURE: 2716200 -58.1465 20.0191 -77.749 20.0188 81.3037 -170.661 -77.7493 -170.662 -99.8986 GPRESSURE: 2716200 -44.861 34.8025 -7.39358 53.9473 95.0798 -127.37 -126.84 -191.118 -26.193 PRESSAVG: 2716200 43.3985 -7.23487 -39.7622 -7.23486 56.5971 -3.65946 -39.7623 -3.65944 -40.8555 GPRESSAVG: 2716200 43.3883 -10.6059 -40.6676 -5.56461 56.1361 -2.07108 -40.1877 -4.8963 -40.9703 TIMING: 2716200 CPU: 7881.97, 0.00288896/step Wall: 7881.97, 0.00288896/step, 1.83273 hours remaining, 207.164062 MB of memory in use. ENERGY: 2716200 719.1539 2072.2502 1957.5371 108.1327 -206204.2731 17804.6726 0.0000 0.0000 34466.1559 -149076.3706 301.0015 -183542.5265 -148974.6956 299.6421 -25.5805 8.0086 557880.4611 19.7134 19.5180 LDB: ============= START OF LOAD BALANCING ============== 7885.43 LDB: ============== END OF LOAD BALANCING =============== 7885.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7885.44 LDB: ============= START OF LOAD BALANCING ============== 7885.72 LDB: Largest compute 4821 load 0.031621 is 26.9% of average load 0.117710 LDB: Average compute 0.001731 is 1.5% of average load 0.117710 LDB: TIME 7885.73 LOAD: AVG 0.11771 MAX 0.175479 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 7885.73 LOAD: AVG 0.11771 MAX 0.175479 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.16 MB LDB: TIME 7885.73 LOAD: AVG 0.11771 MAX 0.175479 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7885.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7885.73 PRESSURE: 2716400 149.818 158.776 31.2836 158.777 480.453 -90.838 31.2846 -90.8384 -28.9035 GPRESSURE: 2716400 172.135 141.301 32.4227 169.259 501.128 -53.2444 11.9161 -94.7335 31.6817 PRESSAVG: 2716400 -34.6706 -9.40549 -70.0501 -9.40546 56.3033 4.96081 -70.05 4.96084 -55.2095 GPRESSAVG: 2716400 -34.0469 -7.19881 -70.4988 -10.4112 56.3567 6.58899 -68.2515 3.08305 -56.0508 TIMING: 2716400 CPU: 7882.56, 0.00293872/step Wall: 7882.56, 0.00293872/step, 1.86413 hours remaining, 205.878906 MB of memory in use. ENERGY: 2716400 750.5362 2080.4067 1928.8170 116.8970 -206805.3830 18309.1116 0.0000 0.0000 34340.8878 -149278.7266 299.9075 -183619.6144 -149185.6604 299.5085 200.4557 234.9817 556866.9504 -11.1923 -11.2470 PRESSURE: 2716600 -268.991 76.5945 -37.1003 76.5949 -144.382 -41.9112 -37.0997 -41.9122 -45.0437 GPRESSURE: 2716600 -224.372 56.3895 9.03785 48.2348 -106.654 -30.81 -67.0274 -19.0959 -35.5885 PRESSAVG: 2716600 -2.12129 18.3206 -24.8956 18.3207 6.55775 -9.36661 -24.8955 -9.36647 17.4458 GPRESSAVG: 2716600 -2.45803 18.5598 -24.721 21.2873 5.84387 -12.4144 -26.9197 -7.37235 18.4669 TIMING: 2716600 CPU: 7883.13, 0.00288115/step Wall: 7883.13, 0.00288115/step, 1.82745 hours remaining, 206.207031 MB of memory in use. ENERGY: 2716600 709.3862 2105.7538 1943.6743 114.1598 -206263.0378 17767.8321 0.0000 0.0000 34292.8052 -149329.4264 299.4876 -183622.2315 -149220.9912 298.7474 -152.8054 -122.2049 559573.3896 7.2941 7.2842 PRESSURE: 2716800 -11.6085 28.406 17.7523 28.406 46.2109 -17.0835 17.7524 -17.0837 10.5995 GPRESSURE: 2716800 13.1303 10.7963 32.1128 2.57079 73.2545 -42.0718 -28.2109 45.6114 46.6761 PRESSAVG: 2716800 -56.3751 26.7732 -46.4019 26.7733 -17.3532 19.8825 -46.402 19.8826 57.0194 GPRESSAVG: 2716800 -57.3096 26.4369 -43.4545 25.1016 -15.8007 17.7829 -48.1901 22.247 56.2517 TIMING: 2716800 CPU: 7883.72, 0.00290712/step Wall: 7883.72, 0.00290712/step, 1.84376 hours remaining, 206.207031 MB of memory in use. ENERGY: 2716800 764.2402 2112.7787 1970.0588 114.7692 -206744.4752 17945.9412 0.0000 0.0000 34406.2781 -149430.4089 300.4786 -183836.6870 -149332.5502 298.8190 15.0673 44.3536 558632.6129 -5.5696 -5.6195 PRESSURE: 2717000 -246.242 -31.8007 -14.1976 -31.8002 -179.65 21.0399 -14.1975 21.041 -190.154 GPRESSURE: 2717000 -216.922 -57.9458 -63.5558 -16.9622 -108.347 71.5157 4.906 -36.3343 -192.027 PRESSAVG: 2717000 -19.9991 -11.5502 1.46653 -11.5501 34.0161 13.5261 1.46655 13.5262 -26.7186 GPRESSAVG: 2717000 -19.509 -12.8705 -2.06072 -12.2394 33.5741 15.9819 4.02661 11.1622 -26.7923 TIMING: 2717000 CPU: 7884.3, 0.00293014/step Wall: 7884.3, 0.00293014/step, 1.85819 hours remaining, 206.207031 MB of memory in use. ENERGY: 2717000 765.6198 2116.0432 1952.4180 123.1623 -205764.0540 17421.3783 0.0000 0.0000 34252.5045 -149132.9280 299.1356 -183385.4325 -149039.7212 299.1796 -205.3486 -172.4318 557742.9707 -4.2339 -4.2424 PRESSURE: 2717200 114.107 100.178 -7.00991 100.176 -10.2491 5.07026 -7.00747 5.06963 47.2469 GPRESSURE: 2717200 112.253 71.426 -77.5354 155.513 6.64628 0.111279 13.5241 63.6773 135.925 PRESSAVG: 2717200 -62.2935 -32.0082 -4.36398 -32.0083 68.5857 -7.74399 -4.36391 -7.7441 33.1606 GPRESSAVG: 2717200 -62.3257 -32.6 -5.18162 -31.2892 68.5663 -8.72797 -3.24667 -6.61929 33.055 TIMING: 2717200 CPU: 7884.89, 0.00291697/step Wall: 7884.89, 0.00291697/step, 1.84968 hours remaining, 206.207031 MB of memory in use. ENERGY: 2717200 762.1108 2121.8479 1963.4834 107.4579 -206252.2262 17859.6814 0.0000 0.0000 34259.9967 -149177.6481 299.2011 -183437.6448 -149090.3636 299.4699 50.3683 84.9414 557353.3078 13.1509 13.0985 PRESSURE: 2717400 -47.6022 -135.994 134.783 -135.995 -58.1008 -81.0873 134.783 -81.0861 80.0412 GPRESSURE: 2717400 -0.267644 -183.215 117.146 -90.1581 -74.5783 -68.3811 130.861 -42.6576 134.675 PRESSAVG: 2717400 10.7293 -19.7441 -33.6291 -19.7441 -17.0132 27.517 -33.629 27.5169 8.36596 GPRESSAVG: 2717400 11.2552 -18.6291 -29.3905 -21.86 -17.8543 28.8284 -36.7464 27.1157 8.39602 TIMING: 2717400 CPU: 7885.47, 0.00291359/step Wall: 7885.47, 0.00291359/step, 1.84738 hours remaining, 206.207031 MB of memory in use. ENERGY: 2717400 789.7264 2134.5123 1959.8470 103.5170 -206181.6075 17888.6742 0.0000 0.0000 34219.0564 -149086.2742 298.8435 -183305.3306 -148983.9567 300.2128 -8.5539 19.9431 557234.1414 0.6940 0.5989 PRESSURE: 2717600 132.449 -176.42 214.19 -176.418 -62.8954 162.824 214.189 162.824 205.682 GPRESSURE: 2717600 188.821 -130.925 243.947 -248.976 -49.6021 210.91 150.123 143.235 231.584 PRESSAVG: 2717600 63.4508 -49.0588 20.5678 -49.0589 -35.7229 3.15189 20.5679 3.152 -18.5778 GPRESSAVG: 2717600 62.2146 -48.3356 18.5494 -47.7862 -34.8956 1.79112 19.2492 3.53825 -17.9879 TIMING: 2717600 CPU: 7886.05, 0.00290542/step Wall: 7886.05, 0.00290542/step, 1.84204 hours remaining, 206.207031 MB of memory in use. ENERGY: 2717600 750.0606 2040.6085 1926.8847 109.7081 -206252.6130 17783.5964 0.0000 0.0000 34627.5754 -149014.1792 302.4112 -183641.7546 -148911.2941 299.5983 91.7450 123.6010 556466.6993 3.0500 3.1104 PRESSURE: 2717800 -231.788 40.0865 128.981 40.0862 -296.521 72.2074 128.981 72.2075 -144.045 GPRESSURE: 2717800 -234.664 58.2204 155.126 46.5983 -204.392 18.96 115.619 65.8857 -128.84 PRESSAVG: 2717800 39.7015 -31.2342 77.1258 -31.2342 -60.5512 88.2655 77.1258 88.2656 42.2008 GPRESSAVG: 2717800 41.3068 -32.2243 77.4885 -33.1288 -61.6765 88.745 76.3123 88.8758 42.1855 TIMING: 2717800 CPU: 7886.63, 0.00290393/step Wall: 7886.63, 0.00290393/step, 1.84093 hours remaining, 206.218750 MB of memory in use. ENERGY: 2717800 759.2876 2019.2676 1972.6565 110.4487 -205637.5891 17403.8845 0.0000 0.0000 34296.6370 -149075.4072 299.5211 -183372.0442 -148977.2894 300.2762 -224.1183 -189.2985 557675.9546 7.1170 7.2719 PRESSURE: 2718000 329.061 69.9574 47.7923 69.9573 -90.0921 248.049 47.7929 248.05 -30.5789 GPRESSURE: 2718000 404.953 45.8347 -25.6004 65.8086 -79.4003 312.34 78.6483 181.936 -26.4671 PRESSAVG: 2718000 -36.7781 -70.0258 39.3505 -70.0258 17.0158 54.313 39.3505 54.3129 17.7528 GPRESSAVG: 2718000 -35.6626 -69.6247 39.0611 -68.2434 17.5004 53.5536 41.993 54.7978 16.6821 TIMING: 2718000 CPU: 7887.21, 0.00290824/step Wall: 7887.21, 0.00290824/step, 1.8435 hours remaining, 206.218750 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: 2718000 765.0506 2093.9569 1945.5862 114.6156 -206370.2659 18084.3260 0.0000 0.0000 34344.2800 -149022.4506 299.9371 -183366.7306 -148928.7730 299.7466 69.4632 99.6952 557464.4627 -0.6698 -0.4934 PRESSURE: 2718200 -242.357 -32.7434 -53.6679 -32.7433 -149.727 -175.347 -53.667 -175.345 -67.9943 GPRESSURE: 2718200 -194.455 -41.7363 28.1898 55.2739 -171.709 -129.252 -52.0826 -160.778 -1.4164 PRESSAVG: 2718200 -7.80597 -21.9157 -59.4738 -21.9157 -21.8274 1.05712 -59.4739 1.0572 22.7243 GPRESSAVG: 2718200 -7.21935 -21.6246 -57.9601 -22.7521 -22.5715 1.28963 -59.9776 0.682317 22.7199 TIMING: 2718200 CPU: 7887.8, 0.0029246/step Wall: 7887.8, 0.0029246/step, 1.85371 hours remaining, 206.218750 MB of memory in use. ENERGY: 2718200 726.7398 2137.9342 1977.7830 116.5761 -205442.6807 17324.2561 0.0000 0.0000 34251.1807 -148908.2106 299.1241 -183159.3913 -148811.4595 299.9503 -153.3597 -122.5268 558607.2497 -2.3030 -2.3570 PRESSURE: 2718400 -135.073 64.3349 16.5813 64.3349 -72.3735 30.3834 16.5795 30.3836 98.912 GPRESSURE: 2718400 -100.191 124.029 -25.038 103.213 -36.9098 -26.1351 85.6984 20.9782 131.902 PRESSAVG: 2718400 -49.1935 19.3848 -30.688 19.3847 47.4103 29.5843 -30.6881 29.5843 47.7527 GPRESSAVG: 2718400 -50.36 17.8823 -33.3057 18.9909 48.2171 28.8925 -28.3032 28.1156 48.7259 TIMING: 2718400 CPU: 7888.38, 0.00291188/step Wall: 7888.38, 0.00291188/step, 1.84549 hours remaining, 206.218750 MB of memory in use. ENERGY: 2718400 755.5763 2132.5136 1946.5754 112.4646 -205946.9350 17742.0526 0.0000 0.0000 34395.0216 -148862.7310 300.3803 -183257.7525 -148762.6296 300.7939 -36.1782 -1.7327 556565.0185 15.3232 15.5277 PRESSURE: 2718600 -322.539 -92.9861 23.0944 -92.9854 -148.202 38.947 23.0942 38.9465 -59.91 GPRESSURE: 2718600 -308.653 -32.1992 7.74551 -126.157 -90.9013 28.6548 25.3208 36.5993 -28.714 PRESSAVG: 2718600 7.95631 -4.96699 2.45773 -4.96707 -43.909 70.0265 2.45774 70.0264 49.8427 GPRESSAVG: 2718600 8.19822 -2.07863 2.37624 -5.90113 -44.7004 70.6711 0.56809 71.2066 50.3979 TIMING: 2718600 CPU: 7888.96, 0.00290975/step Wall: 7888.96, 0.00290975/step, 1.84398 hours remaining, 206.218750 MB of memory in use. ENERGY: 2718600 778.7800 2099.6782 1973.6309 105.0165 -205467.1827 17476.1051 0.0000 0.0000 34171.9411 -148862.0308 298.4321 -183033.9720 -148759.1707 300.7088 -176.8837 -142.7561 557634.3236 4.6300 4.6319 PRESSURE: 2718800 108.638 52.0018 -42.5119 52.0019 306.866 -54.2078 -42.5119 -54.2074 27.4523 GPRESSURE: 2718800 219.632 60.4894 1.79645 -8.06609 280.372 46.4887 -51.2962 -77.3716 34.4903 PRESSAVG: 2718800 -80.8853 -50.1357 -26.5513 -50.1357 30.3646 16.678 -26.5514 16.6781 40.3262 GPRESSAVG: 2718800 -80.6154 -53.1709 -27.9754 -49.1557 30.5716 18.0092 -26.8014 15.6041 40.1074 TIMING: 2718800 CPU: 7889.54, 0.00288543/step Wall: 7889.54, 0.00288543/step, 1.8284 hours remaining, 206.218750 MB of memory in use. ENERGY: 2718800 724.3691 2038.3932 1963.8363 119.2491 -206733.0258 18208.6480 0.0000 0.0000 34515.2835 -149163.2468 301.4306 -183678.5302 -149066.9233 300.5249 147.6522 178.1647 556367.1426 -3.3981 -3.3121 PRESSURE: 2719000 -106.093 149.155 67.7538 149.155 -192.318 -40.7189 67.7535 -40.7194 100.288 GPRESSURE: 2719000 4.63312 178.346 67.1629 141.87 -128.775 -89.3324 72.1177 -24.7311 43.8179 PRESSAVG: 2719000 69.814 24.814 -33.3785 24.814 -29.3185 -54.1692 -33.3785 -54.1693 -15.7275 GPRESSAVG: 2719000 68.6749 24.2546 -30.9083 26.4076 -28.5238 -52.8581 -33.4864 -51.9383 -15.0041 TIMING: 2719000 CPU: 7890.12, 0.00288923/step Wall: 7890.12, 0.00288923/step, 1.83065 hours remaining, 206.218750 MB of memory in use. ENERGY: 2719000 717.8865 2074.3034 2011.1809 112.3127 -206193.1143 17722.6008 0.0000 0.0000 34224.8298 -149330.0001 298.8940 -183554.8300 -149231.3483 299.1889 -66.0411 -26.7747 556613.4086 8.2560 8.3823 PRESSURE: 2719200 -287.03 -11.8528 -44.6146 -11.8524 -287.744 54.7503 -44.6161 54.7485 -40.4688 GPRESSURE: 2719200 -251.884 -1.18503 -11.6295 32.101 -220.705 61.1483 -95.0667 54.1995 -41.6136 PRESSAVG: 2719200 -18.0028 12.1892 27.6166 12.1892 -12.212 -18.5465 27.6165 -18.5465 35.3223 GPRESSAVG: 2719200 -18.1011 13.123 26.0351 12.0023 -13.042 -20.9707 27.6869 -18.6856 35.6916 TIMING: 2719200 CPU: 7890.69, 0.00288423/step Wall: 7890.69, 0.00288423/step, 1.82732 hours remaining, 206.218750 MB of memory in use. ENERGY: 2719200 770.4989 2134.6190 1935.0019 117.0912 -205632.8943 17477.3062 0.0000 0.0000 34064.0279 -149134.3493 297.4896 -183198.3772 -149041.4442 299.3415 -205.0810 -171.4008 558081.6923 1.7025 1.5162 PRESSURE: 2719400 -194.158 -47.9535 -18.444 -47.9523 161.252 -154.068 -18.4441 -154.068 19.7139 GPRESSURE: 2719400 -167.246 20.5078 77.5636 -63.0891 190.83 -205.141 -96.7268 -140.575 69.1571 PRESSAVG: 2719400 31.9839 -19.1075 37.0263 -19.1075 -39.5275 -32.9076 37.0263 -32.9077 3.84411 GPRESSAVG: 2719400 31.5592 -17.5337 36.7652 -21.4289 -39.665 -30.2161 36.1777 -34.4457 4.0165 TIMING: 2719400 CPU: 7891.27, 0.00290453/step Wall: 7891.27, 0.00290453/step, 1.84002 hours remaining, 206.218750 MB of memory in use. ENERGY: 2719400 712.1509 2086.6967 1986.9780 101.3677 -206136.8759 17816.4686 0.0000 0.0000 34429.7291 -149003.4849 300.6834 -183433.2140 -148904.1318 299.2111 -4.3971 30.9137 558490.2500 -1.2332 -1.3631 PRESSURE: 2719600 41.0385 -2.00814 10.8272 -2.00712 -32.0387 60.5591 10.8281 60.5591 -30.9877 GPRESSURE: 2719600 99.217 -35.7711 -0.0479237 -33.576 -25.1028 52.7128 9.56218 89.4291 -7.85445 PRESSAVG: 2719600 -3.52894 0.956986 68.7098 0.956926 -105.599 -23.4754 68.7099 -23.4753 87.564 GPRESSAVG: 2719600 -3.9304 0.0712156 70.2144 0.898077 -105.656 -25.2584 68.0982 -23.487 87.4155 TIMING: 2719600 CPU: 7891.86, 0.00291046/step Wall: 7891.86, 0.00291046/step, 1.84362 hours remaining, 206.218750 MB of memory in use. ENERGY: 2719600 704.5432 2107.6213 2005.3526 112.4196 -206166.2745 17902.0421 0.0000 0.0000 34250.2307 -149084.0651 299.1158 -183334.2958 -148995.0833 299.3044 -7.3293 22.0866 558573.6387 -7.1881 -7.3902 PRESSURE: 2719800 -0.663398 44.6589 -23.8796 44.6598 -121.542 -6.36185 -23.8798 -6.36204 -23.9316 GPRESSURE: 2719800 66.7313 14.2517 -94.87 18.1449 -118.243 6.55781 23.0179 47.7597 6.06815 PRESSAVG: 2719800 -19.6056 -29.3226 16.1457 -29.3225 -17.4149 5.94683 16.1458 5.94685 27.6022 GPRESSAVG: 2719800 -18.9158 -28.5875 14.7532 -28.9871 -17.6595 5.31455 16.7265 7.43619 26.9377 TIMING: 2719800 CPU: 7892.43, 0.00289044/step Wall: 7892.43, 0.00289044/step, 1.83077 hours remaining, 206.218750 MB of memory in use. ENERGY: 2719800 732.3773 2090.0870 1971.9090 110.8908 -205854.9887 17634.9472 0.0000 0.0000 34230.6459 -149084.1313 298.9447 -183314.7773 -148986.8947 298.7435 -48.7122 -15.1480 557281.1244 -3.1394 -3.2125 PRESSURE: 2720000 -60.0053 -66.9263 94.5611 -66.9264 -296.919 160.831 94.5617 160.833 -1.20258 GPRESSURE: 2720000 -36.8337 17.2562 108.564 -185.038 -235.536 170.53 9.22387 149.208 18.1413 PRESSAVG: 2720000 -19.9596 -35.7698 29.6646 -35.7697 -6.35804 35.8336 29.6646 35.8336 5.08191 GPRESSAVG: 2720000 -21.0274 -37.8903 29.6466 -35.4634 -5.80594 35.0732 28.9107 35.7848 5.42876 TIMING: 2720000 CPU: 7893.01, 0.00290481/step Wall: 7893.01, 0.00290481/step, 1.83971 hours remaining, 206.218750 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: 2720000 743.8512 2082.2839 1982.0090 123.7175 -205633.3590 17652.3163 0.0000 0.0000 33935.4884 -149113.6925 296.3671 -183049.1809 -149022.4400 298.5568 -119.3756 -84.7427 558309.2091 -7.0786 -7.1349 PRESSURE: 2720200 41.4494 3.32965 -31.4706 3.32973 7.53699 67.961 -31.4702 67.9612 -6.6415 GPRESSURE: 2720200 61.2445 -35.7417 -40.4907 -8.96488 72.7222 -24.7189 -47.424 78.9008 -1.62483 PRESSAVG: 2720200 -48.3943 24.4834 -59.9512 24.4834 3.83534 22.0117 -59.9511 22.0116 42.1157 GPRESSAVG: 2720200 -47.5441 25.265 -61.2902 26.0906 3.40947 22.4246 -57.122 22.2209 41.6707 TIMING: 2720200 CPU: 7893.6, 0.00291686/step Wall: 7893.6, 0.00291686/step, 1.84718 hours remaining, 206.218750 MB of memory in use. ENERGY: 2720200 766.5085 2112.2914 1937.2497 108.6632 -206398.3072 17871.3308 0.0000 0.0000 34495.8050 -149106.4588 301.2604 -183602.2638 -149007.0371 299.5376 14.1150 44.1140 557362.9880 -0.8144 -0.8213 LDB: ============= START OF LOAD BALANCING ============== 7897.06 LDB: ============== END OF LOAD BALANCING =============== 7897.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7897.07 LDB: ============= START OF LOAD BALANCING ============== 7897.36 LDB: Largest compute 4821 load 0.032215 is 27.4% of average load 0.117713 LDB: Average compute 0.001730 is 1.5% of average load 0.117713 LDB: TIME 7897.36 LOAD: AVG 0.117713 MAX 0.180132 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 7897.36 LOAD: AVG 0.117713 MAX 0.180132 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: TIME 7897.36 LOAD: AVG 0.117713 MAX 0.180132 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7897.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7897.36 PRESSURE: 2720400 36.1054 -47.1553 110.46 -47.155 -281.073 -184.878 110.459 -184.878 54.3085 GPRESSURE: 2720400 84.6942 -38.7709 75.8297 -5.38465 -277.694 -208.785 147.852 -127.618 86.8787 PRESSAVG: 2720400 9.12464 11.7216 -12.0233 11.7217 55.2217 27.6062 -12.0234 27.606 -29.199 GPRESSAVG: 2720400 9.694 13.5998 -9.33872 10.9504 55.4284 28.366 -12.311 25.728 -30.1725 TIMING: 2720400 CPU: 7894.19, 0.00295791/step Wall: 7894.19, 0.0029579/step, 1.87301 hours remaining, 205.609375 MB of memory in use. ENERGY: 2720400 736.4380 2104.9985 1982.2747 125.5072 -206143.6661 17710.7551 0.0000 0.0000 34425.9387 -149057.7539 300.6503 -183483.6926 -148965.1214 300.8298 -63.5529 -35.3737 557058.6195 11.7158 11.6500 PRESSURE: 2720600 -112.819 68.2108 11.9025 68.2108 94.0803 130.082 11.9026 130.08 -110.689 GPRESSURE: 2720600 -82.3909 82.4952 12.0012 24.551 96.3157 128.816 -86.3967 120.445 -41.3553 PRESSAVG: 2720600 -50.879 13.1017 26.6587 13.1017 -43.2391 29.8158 26.6586 29.8158 81.6841 GPRESSAVG: 2720600 -50.6405 10.9625 25.9773 13.6863 -42.5795 29.5685 23.1625 30.7673 80.8953 TIMING: 2720600 CPU: 7894.77, 0.00288721/step Wall: 7894.77, 0.00288721/step, 1.82808 hours remaining, 205.867188 MB of memory in use. ENERGY: 2720600 720.8708 2029.5880 1976.7803 105.3476 -205889.6703 17799.6236 0.0000 0.0000 34279.5319 -148977.9282 299.3717 -183257.4601 -148878.9588 300.0925 -43.1426 -9.1435 559364.5753 -4.1447 -4.1082 PRESSURE: 2720800 35.1324 -142.197 -187.594 -142.198 -1.66994 -46.7459 -187.593 -46.744 -218.583 GPRESSURE: 2720800 44.6684 -95.4462 -183.861 -204.972 60.5896 -36.0631 -179.636 32.8232 -190.271 PRESSAVG: 2720800 15.6251 20.115 22.7173 20.115 -24.6361 -0.128272 22.7173 -0.128218 -25.9757 GPRESSAVG: 2720800 14.1775 20.8696 22.3164 18.0038 -24.5358 -1.98318 25.4905 -0.480529 -23.9119 TIMING: 2720800 CPU: 7895.35, 0.00289552/step Wall: 7895.35, 0.00289552/step, 1.83318 hours remaining, 205.867188 MB of memory in use. ENERGY: 2720800 750.5055 2113.6771 1973.2442 115.3029 -205932.9851 17663.3448 0.0000 0.0000 34427.2247 -148889.6858 300.6615 -183316.9106 -148793.0396 299.8914 -61.7069 -28.3377 558210.0721 -11.6622 -11.4234 PRESSURE: 2721000 -89.6318 155.774 -32.1763 155.773 277.149 -100.882 -32.1771 -100.881 -28.4371 GPRESSURE: 2721000 -31.9978 109.873 -17.8638 158.546 287.287 -53.9088 47.9172 -166.322 4.21907 PRESSAVG: 2721000 1.22106 62.3067 -20.2195 62.3068 5.48133 -40.7029 -20.2196 -40.7029 -5.87263 GPRESSAVG: 2721000 2.55665 64.2902 -19.7162 62.3717 4.05698 -38.0906 -21.4185 -40.9151 -5.71634 TIMING: 2721000 CPU: 7895.92, 0.00289088/step Wall: 7895.92, 0.00289088/step, 1.83009 hours remaining, 205.867188 MB of memory in use. ENERGY: 2721000 776.0918 2085.5951 1962.7514 121.1947 -205821.2769 17691.5436 0.0000 0.0000 34297.2707 -148886.8296 299.5266 -183184.1003 -148780.2505 300.1198 53.0268 86.5026 557880.5484 0.2766 0.2991 PRESSURE: 2721200 -59.1983 13.6419 41.8343 13.6425 -110.8 58.6253 41.8317 58.6245 -229.447 GPRESSURE: 2721200 5.06917 20.5571 97.988 23.8622 -103.659 40.5506 14.3227 28.1467 -194.624 PRESSAVG: 2721200 -42.2562 14.7187 -11.6296 14.7186 78.4445 9.17105 -11.6296 9.17119 -3.3763 GPRESSAVG: 2721200 -41.9108 13.4441 -13.0564 15.7135 77.9697 10.3946 -11.1698 8.79151 -3.00365 TIMING: 2721200 CPU: 7896.51, 0.00290907/step Wall: 7896.51, 0.00290907/step, 1.84144 hours remaining, 205.867188 MB of memory in use. ENERGY: 2721200 749.0537 2084.8439 1964.5124 105.0653 -205640.6102 17555.4317 0.0000 0.0000 34203.8600 -148977.8433 298.7108 -183181.7033 -148888.1646 300.1206 -133.1485 -97.7377 559946.3745 10.9374 11.0184 PRESSURE: 2721400 -50.8232 40.441 1.7858 40.4409 92.2319 55.3508 1.78557 55.3499 -94.8413 GPRESSURE: 2721400 -79.9617 -19.5798 -44.2696 139.212 148.928 98.4151 25.3791 66.4788 -32.7508 PRESSAVG: 2721400 -84.2807 20.1506 2.39477 20.1506 -39.7652 61.4364 2.39472 61.4364 54.2514 GPRESSAVG: 2721400 -85.2927 17.9687 4.4598 20.0214 -38.989 60.8951 2.08893 60.4363 54.5823 TIMING: 2721400 CPU: 7897.09, 0.00290024/step Wall: 7897.09, 0.00290024/step, 1.83569 hours remaining, 205.867188 MB of memory in use. ENERGY: 2721400 748.8066 2050.2369 1971.9621 109.5907 -206007.4019 17830.8812 0.0000 0.0000 34192.5019 -149103.4226 298.6116 -183295.9245 -149008.1663 299.8216 -17.8109 12.0719 558527.2237 -23.2649 -23.2331 PRESSURE: 2721600 -197.445 -136.09 8.91531 -136.089 -133.548 -15.3952 8.91525 -15.3953 40.4019 GPRESSURE: 2721600 -92.5268 -124.056 33.5932 -187.829 -106.221 -29.6067 39.8092 -61.7344 -5.80474 PRESSAVG: 2721600 37.5287 10.7851 25.2569 10.7851 48.0426 -40.6786 25.257 -40.6786 -45.3582 GPRESSAVG: 2721600 37.8879 12.2366 24.583 8.49245 49.7675 -41.8464 25.1532 -41.2086 -47.2701 TIMING: 2721600 CPU: 7897.67, 0.00290643/step Wall: 7897.67, 0.00290643/step, 1.83945 hours remaining, 206.003906 MB of memory in use. ENERGY: 2721600 764.0995 2100.7845 1965.5927 112.3214 -205557.3260 17344.9022 0.0000 0.0000 34282.3047 -148987.3211 299.3959 -183269.6257 -148890.3580 298.9495 -96.8636 -68.1841 555135.5366 13.4044 13.4618 PRESSURE: 2721800 -94.0561 51.4101 93.494 51.4098 -22.7612 -31.3408 93.4943 -31.3422 -161.954 GPRESSURE: 2721800 -45.1527 96.3701 58.2745 -7.38869 -5.07421 -64.1355 102.638 25.8875 -123.052 PRESSAVG: 2721800 8.8968 -9.79144 32.5874 -9.79138 32.7481 -32.6562 32.5875 -32.6561 -30.5566 GPRESSAVG: 2721800 9.96623 -10.0403 32.0831 -8.74939 33.5952 -33.161 34.2587 -30.2584 -31.6295 TIMING: 2721800 CPU: 7898.25, 0.0029103/step Wall: 7898.25, 0.0029103/step, 1.84173 hours remaining, 206.003906 MB of memory in use. ENERGY: 2721800 752.7702 2114.2896 1961.3239 116.5477 -205531.5696 17379.8476 0.0000 0.0000 34163.9590 -149042.8316 298.3624 -183206.7906 -148946.8074 300.1891 -92.9237 -57.7597 555929.2629 3.6961 3.9773 PRESSURE: 2722000 11.5145 122.386 71.5214 122.386 -69.2094 -29.472 71.5193 -29.473 -64.1873 GPRESSURE: 2722000 4.14684 135.065 99.1377 78.3349 -19.0194 65.1805 55.2413 -68.0755 -13.4546 PRESSAVG: 2722000 -90.7007 -1.58317 21.0804 -1.5831 23.1935 -57.9254 21.0804 -57.9253 24.554 GPRESSAVG: 2722000 -92.7814 -0.44603 22.8137 -1.50627 22.8998 -56.031 19.1794 -59.1308 26.4994 TIMING: 2722000 CPU: 7898.83, 0.00290195/step Wall: 7898.83, 0.00290195/step, 1.83629 hours remaining, 206.003906 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: 2722000 758.4050 2054.0054 1953.8756 110.8748 -206141.1927 17654.4546 0.0000 0.0000 34328.2011 -149281.3763 299.7967 -183609.5774 -149184.9787 299.9580 -40.6274 -9.4424 556553.5495 -14.3177 -14.4607 PRESSURE: 2722200 -207.094 -91.6431 -21.8374 -91.6427 95.1825 -8.03157 -21.837 -8.03134 -65.2574 GPRESSURE: 2722200 -171.245 -103.41 2.50547 -141.018 94.4336 -18.2805 -48.6386 -74.8046 -5.65309 PRESSAVG: 2722200 -20.9695 28.1373 38.0055 28.1374 42.9762 3.46826 38.0056 3.46835 24.8856 GPRESSAVG: 2722200 -19.9539 27.3904 37.5564 27.7882 41.7708 3.40514 37.7888 3.05409 25.2284 TIMING: 2722200 CPU: 7899.41, 0.00291091/step Wall: 7899.41, 0.00291091/step, 1.8418 hours remaining, 206.003906 MB of memory in use. ENERGY: 2722200 732.7555 2079.4976 1981.7233 108.4224 -206200.1910 17875.5053 0.0000 0.0000 34133.5477 -149288.7391 298.0968 -183422.2868 -149192.0631 299.2441 -59.0564 -27.4880 559584.8316 15.6308 15.6818 PRESSURE: 2722400 -167.701 107.708 20.7828 107.708 -59.7515 180.499 20.7834 180.5 73.7958 GPRESSURE: 2722400 -180.541 168.289 -80.2266 74.6425 -16.7619 188.624 -16.1129 194.255 141.298 PRESSAVG: 2722400 -53.3503 19.8196 18.8738 19.8196 -23.2632 -20.6653 18.8738 -20.6652 40.2416 GPRESSAVG: 2722400 -53.1394 20.8331 17.7934 21.9778 -22.6507 -22.3697 18.6499 -19.1017 39.6233 TIMING: 2722400 CPU: 7899.99, 0.00291305/step Wall: 7899.99, 0.00291305/step, 1.84299 hours remaining, 206.003906 MB of memory in use. ENERGY: 2722400 741.3792 2105.9958 1959.9465 112.9967 -206135.1015 17774.5334 0.0000 0.0000 34355.8488 -149084.4011 300.0382 -183440.2499 -148987.7355 298.8834 -51.2188 -18.6684 559040.3750 -12.1240 -12.0556 PRESSURE: 2722600 127.061 -28.6562 11.154 -28.6554 162.703 133.832 11.1536 133.831 -47.2381 GPRESSURE: 2722600 188.222 -24.1553 -96.1934 -18.4287 197.384 191.593 106.882 140.956 -55.545 PRESSAVG: 2722600 15.6426 -22.3443 -2.18678 -22.3442 8.29197 -17.6663 -2.18674 -17.6663 -32.0044 GPRESSAVG: 2722600 15.2811 -22.6845 -2.95383 -23.5537 8.17346 -17.0294 -1.12517 -18.8267 -31.0685 TIMING: 2722600 CPU: 7900.57, 0.00288631/step Wall: 7900.57, 0.00288631/step, 1.82591 hours remaining, 206.054688 MB of memory in use. ENERGY: 2722600 781.8120 2096.0164 1959.1003 110.2467 -206420.7650 18155.0557 0.0000 0.0000 34167.3979 -149151.1360 298.3924 -183318.5340 -149055.3649 299.7053 80.8419 110.0203 556424.1329 -2.6899 -2.5380 PRESSURE: 2722800 -170.338 160.233 -100.257 160.233 -344.496 -234.408 -100.259 -234.407 -42.0707 GPRESSURE: 2722800 -157.77 174.643 -85.8644 132.923 -276.634 -241.568 -122.823 -195.122 -29.8108 PRESSAVG: 2722800 -1.25947 36.5699 -7.72523 36.5699 -10.562 7.50483 -7.72522 7.50486 -24.8247 GPRESSAVG: 2722800 -0.539491 35.5432 -8.79471 35.0524 -10.0153 7.42493 -4.25148 7.36134 -25.9155 TIMING: 2722800 CPU: 7901.15, 0.00288978/step Wall: 7901.15, 0.00288978/step, 1.82795 hours remaining, 206.054688 MB of memory in use. ENERGY: 2722800 744.8449 2162.8524 1970.7818 114.1702 -205922.5101 17610.5802 0.0000 0.0000 34207.4909 -149111.7897 298.7425 -183319.2806 -149012.1043 299.1538 -185.6352 -154.7385 558496.1218 -12.2154 -12.1568 PRESSURE: 2723000 327.263 -186.533 80.2327 -186.531 -70.1931 -51.3483 80.2327 -51.3483 -141.789 GPRESSURE: 2723000 348.074 -186.798 30.8539 -162.299 -8.7942 -35.5555 78.6116 -143.471 -113.338 PRESSAVG: 2723000 22.0195 10.0917 -46.3143 10.0917 -47.1522 -16.5677 -46.3141 -16.5676 22.1795 GPRESSAVG: 2723000 20.9224 10.2025 -44.7719 11.1342 -45.7544 -16.1667 -49.1078 -17.8233 22.3551 TIMING: 2723000 CPU: 7901.73, 0.00290655/step Wall: 7901.73, 0.00290655/step, 1.83839 hours remaining, 206.054688 MB of memory in use. ENERGY: 2723000 750.2837 2134.7438 1967.9580 120.8872 -206428.5468 17973.6074 0.0000 0.0000 34367.9409 -149113.1257 300.1438 -183481.0667 -149014.7005 299.7493 38.4269 75.3141 557885.0100 -0.9844 -0.8256 PRESSURE: 2723200 -9.23734 62.6422 147.7 62.6415 3.75918 78.1315 147.701 78.13 -69.0031 GPRESSURE: 2723200 -9.73227 102.122 155.195 99.6153 -6.33553 94.3032 139.862 29.5825 28.2625 PRESSAVG: 2723200 24.2672 12.6567 -34.4073 12.6567 -72.1827 30.7591 -34.4073 30.7592 13.7306 GPRESSAVG: 2723200 24.9683 12.0671 -32.8382 14.6816 -73.0844 32.0634 -36.2367 30.9333 13.986 TIMING: 2723200 CPU: 7902.32, 0.00292087/step Wall: 7902.32, 0.00292087/step, 1.84729 hours remaining, 206.054688 MB of memory in use. ENERGY: 2723200 789.1234 2089.2009 1953.0029 109.7546 -206276.1522 17925.0902 0.0000 0.0000 34480.3556 -148929.6245 301.1255 -183409.9802 -148832.0646 299.9616 -24.8271 4.0649 557226.6336 -11.3949 -11.3767 PRESSURE: 2723400 -65.3782 -55.6427 61.6973 -55.6418 8.98985 123.383 61.6974 123.385 -20.8948 GPRESSURE: 2723400 -21.9432 2.49495 -50.3056 -101.844 9.33545 126.696 68.2981 104.223 19.8218 PRESSAVG: 2723400 12.6494 -7.30888 54.9715 -7.30882 -56.3659 60.1927 54.9716 60.1927 34.5375 GPRESSAVG: 2723400 13.3768 -7.16298 55.0856 -8.34013 -54.6681 58.4603 57.4767 60.3557 32.8172 TIMING: 2723400 CPU: 7902.89, 0.00289481/step Wall: 7902.89, 0.00289481/step, 1.83064 hours remaining, 206.054688 MB of memory in use. ENERGY: 2723400 789.4785 2146.3189 1970.2273 115.6983 -205893.2760 17861.6606 0.0000 0.0000 34076.9051 -148932.9873 297.6021 -183009.8924 -148837.0289 299.4529 -25.7610 2.4047 558130.0044 -3.0597 -2.8247 PRESSURE: 2723600 -293.09 -114.87 -74.9247 -114.871 -229.234 49.1898 -74.9251 49.1899 -413.767 GPRESSURE: 2723600 -235.067 -82.9745 -23.5824 -173.554 -211.88 117.585 -86.6978 80.2012 -379.412 PRESSAVG: 2723600 -20.0129 -6.31292 -13.592 -6.31299 22.2183 58.322 -13.592 58.322 -1.50552 GPRESSAVG: 2723600 -18.99 -7.05889 -12.4962 -6.87175 20.5282 58.3039 -16.7313 59.4267 -0.0891803 TIMING: 2723600 CPU: 7903.47, 0.00290409/step Wall: 7903.47, 0.00290409/step, 1.83635 hours remaining, 206.054688 MB of memory in use. ENERGY: 2723600 732.0428 2082.6373 1985.4384 106.0556 -205626.8519 17375.4121 0.0000 0.0000 34443.9038 -148901.3618 300.8072 -183345.2656 -148806.8802 300.3862 -312.0303 -275.4529 558028.6672 0.2333 0.4830 PRESSURE: 2723800 -131.644 16.5996 -20.4631 16.6003 -76.3669 71.1948 -20.4621 71.1959 60.8712 GPRESSURE: 2723800 -45.765 -23.3551 -46.977 26.2715 3.51346 47.6724 -29.6434 93.085 -0.566712 PRESSAVG: 2723800 -19.8521 -21.7757 -49.057 -21.7757 18.2887 -1.41975 -49.057 -1.41973 7.74433 GPRESSAVG: 2723800 -20.2001 -22.2569 -49.9174 -21.6315 18.926 -0.107492 -48.2771 -2.82723 7.50644 TIMING: 2723800 CPU: 7904.05, 0.00289152/step Wall: 7904.05, 0.00289152/step, 1.82824 hours remaining, 206.054688 MB of memory in use. ENERGY: 2723800 728.2945 2103.0606 1956.8561 117.5725 -205590.0186 17569.5109 0.0000 0.0000 34425.6718 -148689.0522 300.6480 -183114.7240 -148588.3690 299.6280 -49.0467 -14.2727 558058.7896 2.0603 2.0774 PRESSURE: 2724000 -201.224 -27.9015 35.1057 -27.8992 -200.632 -75.2187 35.1055 -75.2176 182.024 GPRESSURE: 2724000 -238.128 -58.7505 32.7583 -5.78321 -97.0007 -75.1293 67.8853 -48.2898 220.126 PRESSAVG: 2724000 -26.3745 36.5912 -8.93621 36.5912 -8.02781 -9.44539 -8.93625 -9.44539 -6.55212 GPRESSAVG: 2724000 -25.9233 37.4375 -10.2105 35.0769 -9.18825 -12.3808 -7.99496 -6.92117 -5.20082 TIMING: 2724000 CPU: 7904.64, 0.00293544/step Wall: 7904.64, 0.00293544/step, 1.85585 hours remaining, 206.054688 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: 2724000 788.5782 2005.0162 1975.2671 118.3601 -205366.0252 17521.6195 0.0000 0.0000 34290.6610 -148666.5232 299.4689 -182957.1842 -148571.3089 300.4226 -73.2771 -38.3342 558998.1933 -13.6515 -13.4374 PRESSURE: 2724200 -115.222 20.402 9.97279 20.4018 -145.449 79.1386 9.97266 79.139 124.017 GPRESSURE: 2724200 -51.8541 38.1906 -11.868 -33.9581 -80.9378 132.13 86.1373 62.4139 84.6883 PRESSAVG: 2724200 18.7238 29.5468 29.8587 29.5468 -48.2662 -72.7624 29.8587 -72.7622 33.1038 GPRESSAVG: 2724200 16.9004 28.953 30.8257 31.2517 -47.3681 -71.5958 30.573 -73.829 33.3324 TIMING: 2724200 CPU: 7905.22, 0.00292292/step Wall: 7905.22, 0.00292292/step, 1.84777 hours remaining, 206.054688 MB of memory in use. ENERGY: 2724200 734.2143 2068.5691 1956.3863 117.4959 -205495.1647 17547.2826 0.0000 0.0000 34392.9463 -148678.2703 300.3622 -183071.2165 -148582.3701 299.8468 -45.5513 -16.0345 557665.7282 1.1871 0.9549 LDB: ============= START OF LOAD BALANCING ============== 7908.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7908.69 LDB: =============== DONE WITH MIGRATION ================ 7908.69 LDB: ============= START OF LOAD BALANCING ============== 7908.98 LDB: Largest compute 4821 load 0.031660 is 26.9% of average load 0.117709 LDB: Average compute 0.001724 is 1.5% of average load 0.117709 LDB: TIME 7908.99 LOAD: AVG 0.117709 MAX 0.180907 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.77 MB LDB: TIME 7908.99 LOAD: AVG 0.117709 MAX 0.180907 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: TIME 7908.99 LOAD: AVG 0.117709 MAX 0.180907 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.973 MB LDB: ============== END OF LOAD BALANCING =============== 7908.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7908.99 PRESSURE: 2724400 185.282 -14.8611 36.5015 -14.8617 3.97013 -80.0988 36.5006 -80.098 82.2364 GPRESSURE: 2724400 194.802 -27.3497 -8.23625 -36.9727 40.0071 -41.8764 68.5721 -98.8774 122.988 PRESSAVG: 2724400 7.47614 14.6102 -62.9857 14.6102 -67.4924 -101.129 -62.9857 -101.129 41.3384 GPRESSAVG: 2724400 8.20737 15.7796 -61.8521 13.614 -67.4351 -99.6249 -63.1287 -101.614 40.2916 TIMING: 2724400 CPU: 7905.82, 0.00295616/step Wall: 7905.82, 0.00295616/step, 1.86862 hours remaining, 206.707031 MB of memory in use. ENERGY: 2724400 747.6373 2046.8860 1973.2061 102.0111 -205498.9760 17709.9613 0.0000 0.0000 34345.6397 -148573.6344 299.9490 -182919.2741 -148485.3838 301.1858 90.4962 119.2658 556339.2575 -6.2259 -6.3120 PRESSURE: 2724600 -139.165 -16.3159 83.8766 -16.3168 -148.608 -83.7284 83.8763 -83.7278 55.6761 GPRESSURE: 2724600 -106.15 -48.9807 17.3796 -34.8765 -126.589 -62.2956 83.4095 -77.5807 102.581 PRESSAVG: 2724600 -3.24052 -40.825 8.02282 -40.825 -30.8294 -67.2551 8.02281 -67.2551 17.2125 GPRESSAVG: 2724600 -3.25417 -41.5589 9.70506 -39.3592 -30.6549 -67.7433 6.72078 -67.2096 17.3525 TIMING: 2724600 CPU: 7906.39, 0.00288769/step Wall: 7906.39, 0.00288769/step, 1.82518 hours remaining, 206.777344 MB of memory in use. ENERGY: 2724600 784.2125 2060.7318 1951.9165 111.1582 -205992.3006 17937.5134 0.0000 0.0000 34512.7361 -148634.0321 301.4083 -183146.7682 -148540.3020 301.1436 -77.3655 -43.3862 556935.9905 -5.6192 -5.5189 PRESSURE: 2724800 -179.223 27.137 87.4424 27.1381 -178.999 99.2854 87.4423 99.2859 132.928 GPRESSURE: 2724800 -130.13 22.0523 85.1354 42.5149 -108.834 69.9529 62.3803 182.419 112.984 PRESSAVG: 2724800 -49.7099 14.2269 43.0264 14.227 49.6718 -16.8978 43.0264 -16.8979 -21.3488 GPRESSAVG: 2724800 -49.3531 15.1281 41.6933 12.589 48.6292 -19.3325 44.4235 -15.6827 -20.6607 TIMING: 2724800 CPU: 7906.97, 0.00289934/step Wall: 7906.97, 0.00289934/step, 1.83238 hours remaining, 206.777344 MB of memory in use. ENERGY: 2724800 761.0706 2175.4529 1947.8984 111.2025 -205403.1211 17626.0246 0.0000 0.0000 34232.3439 -148549.1283 298.9596 -182781.4721 -148453.9370 300.4529 -75.0980 -41.9933 558382.6312 -7.1290 -7.1282 PRESSURE: 2725000 -25.5933 120.491 105.379 120.491 51.0585 3.47023 105.378 3.47024 -132.645 GPRESSURE: 2725000 38.8196 101.201 128.787 75.706 120.806 10.4859 23.438 46.8645 -162.473 PRESSAVG: 2725000 21.7396 0.263055 -1.39022 0.263108 66.6231 29.3439 -1.39028 29.3439 -53.6434 GPRESSAVG: 2725000 21.6316 -0.954967 -1.37679 1.25218 67.5207 29.6123 -2.03766 28.5978 -54.7909 TIMING: 2725000 CPU: 7907.55, 0.00288841/step Wall: 7907.55, 0.00288841/step, 1.82532 hours remaining, 206.777344 MB of memory in use. ENERGY: 2725000 773.3036 2060.3629 1952.1083 116.4512 -205373.3681 17643.4510 0.0000 0.0000 34370.7480 -148456.9431 300.1683 -182827.6911 -148358.9139 301.5150 -35.7266 -0.9490 557843.4829 11.5731 11.4538 PRESSURE: 2725200 19.6107 41.6886 -2.55062 41.6891 121.412 178.806 -2.5505 178.807 -56.7419 GPRESSURE: 2725200 48.3753 89.0794 -106.873 18.1103 100.301 157.478 14.8807 96.2854 28.8426 PRESSAVG: 2725200 6.6405 25.3343 0.667555 25.3343 22.0109 -0.518733 0.66756 -0.518706 -49.4688 GPRESSAVG: 2725200 6.16643 24.8982 0.0193243 24.8397 21.367 -0.350174 0.420322 -1.10508 -48.5992 TIMING: 2725200 CPU: 7908.13, 0.00288483/step Wall: 7908.13, 0.00288483/step, 1.82289 hours remaining, 206.777344 MB of memory in use. ENERGY: 2725200 748.2837 2121.2661 1919.4107 119.4358 -205611.8237 17628.7947 0.0000 0.0000 34592.9744 -148481.6582 302.1090 -183074.6327 -148386.5753 302.0468 28.0936 59.1729 556436.8372 -6.9391 -7.0219 PRESSURE: 2725400 -27.6668 12.7605 41.0919 12.7606 76.8767 -53.2652 41.0904 -53.2661 -241.346 GPRESSURE: 2725400 -28.2427 -58.0461 92.9832 35.7686 156.962 -40.2823 20.6056 -97.5781 -219.768 PRESSAVG: 2725400 -83.5579 13.0455 -14.7336 13.0454 44.4351 3.67029 -14.7337 3.67037 32.9601 GPRESSAVG: 2725400 -82.6763 14.464 -16.3306 13.0484 45.6952 4.90033 -13.5307 3.08813 30.3834 TIMING: 2725400 CPU: 7908.7, 0.00287795/step Wall: 7908.7, 0.00287795/step, 1.81838 hours remaining, 206.777344 MB of memory in use. ENERGY: 2725400 747.1466 2125.2899 1952.6642 106.9012 -205507.0525 17619.3112 0.0000 0.0000 34610.9696 -148344.7697 302.2662 -182955.7393 -148247.6237 302.2088 -64.0454 -30.3497 558650.4340 -2.0542 -2.1993 PRESSURE: 2725600 54.4774 93.8325 -146.897 93.8335 -70.3217 106.724 -146.897 106.724 205.396 GPRESSURE: 2725600 27.6219 192.761 -207.362 18.2706 -16.6253 139.4 -119.346 122.454 269.703 PRESSAVG: 2725600 -11.2078 14.387 -17.8033 14.387 17.2471 51.5757 -17.8033 51.5757 -45.3169 GPRESSAVG: 2725600 -11.4974 13.0443 -16.1208 14.9945 17.1946 50.56 -19.1121 53.5488 -45.1893 TIMING: 2725600 CPU: 7909.28, 0.00288589/step Wall: 7909.28, 0.00288589/step, 1.82324 hours remaining, 206.777344 MB of memory in use. ENERGY: 2725600 769.5577 2053.3785 1996.1875 112.9827 -205683.9311 17921.6663 0.0000 0.0000 34356.4645 -148473.6939 300.0435 -182830.1584 -148379.3579 301.4053 63.1838 93.5666 558588.0123 -13.0925 -13.1640 PRESSURE: 2725800 -204.962 -114.144 -162.428 -114.144 -51.2285 42.7356 -162.427 42.7355 148.696 GPRESSURE: 2725800 -140.878 -145.716 -58.3906 -73.4936 -76.0225 35.1572 -236.458 33.3732 203.069 PRESSAVG: 2725800 -23.9166 -13.6671 12.8926 -13.6671 0.190441 -29.5317 12.8926 -29.5317 41.157 GPRESSAVG: 2725800 -23.2664 -12.8104 14.7375 -12.3017 -0.945707 -26.5635 11.5663 -31.3569 42.2799 TIMING: 2725800 CPU: 7909.87, 0.00292884/step Wall: 7909.87, 0.00292884/step, 1.85022 hours remaining, 206.777344 MB of memory in use. ENERGY: 2725800 740.8885 2089.2176 1952.3454 111.4763 -205501.2856 17774.1905 0.0000 0.0000 34314.4659 -148518.7015 299.6768 -182833.1673 -148422.0242 300.5633 -35.8314 -4.6105 560346.9740 5.8103 6.0226 PRESSURE: 2726000 131.647 -12.428 65.5498 -12.4285 -119.026 -131.14 65.5498 -131.138 -189.862 GPRESSURE: 2726000 153.612 -21.3327 58.4529 -13.5803 -100.489 -104.363 168.416 -73.2301 -124.21 PRESSAVG: 2726000 34.8065 18.5181 34.9543 18.5182 -17.981 -22.942 34.9543 -22.9421 -41.5491 GPRESSAVG: 2726000 33.7607 17.1103 32.9141 18.7186 -18.2375 -26.3428 37.0948 -22.8363 -40.1762 TIMING: 2726000 CPU: 7910.45, 0.00292264/step Wall: 7910.45, 0.00292264/step, 1.84613 hours remaining, 206.777344 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: 2726000 742.5439 2094.0961 1954.5740 112.0283 -205903.1517 17868.3849 0.0000 0.0000 34570.5149 -148561.0095 301.9129 -183131.5245 -148459.6452 301.0554 -59.0802 -23.6954 558634.3448 -8.2412 -8.2176 PRESSURE: 2726200 99.6925 -15.5801 -197.719 -15.5799 18.178 -74.5317 -197.719 -74.5319 416.564 GPRESSURE: 2726200 154.225 36.904 -307.799 11.4502 73.4128 -26.4132 -128.887 -104.911 408.625 PRESSAVG: 2726200 55.8029 -9.51078 -12.5546 -9.51073 40.3827 -53.1244 -12.5545 -53.1244 -51.8029 GPRESSAVG: 2726200 56.4243 -8.5861 -13.418 -10.8773 40.899 -49.8962 -11.6197 -52.6317 -52.8687 TIMING: 2726200 CPU: 7911.04, 0.00292368/step Wall: 7911.04, 0.00292368/step, 1.84663 hours remaining, 206.777344 MB of memory in use. ENERGY: 2726200 753.0872 2096.7848 1992.3407 127.3589 -206053.5036 17949.7598 0.0000 0.0000 34594.7671 -148539.4051 302.1247 -183134.1722 -148440.3495 301.1458 178.1449 212.0878 557563.5644 14.7942 14.8182 PRESSURE: 2726400 -4.89574 96.3344 -136.222 96.3339 -220.635 -3.93899 -136.222 -3.93806 92.5962 GPRESSURE: 2726400 -30.8347 129.322 -210.115 19.5771 -126.146 -14.9396 -86.7064 -64.4566 111.867 PRESSAVG: 2726400 -12.766 -43.3202 -38.4358 -43.3202 -43.8428 -12.5257 -38.4358 -12.5257 61.2461 GPRESSAVG: 2726400 -14.7859 -44.4896 -40.6209 -43.1301 -42.8189 -13.4818 -36.9568 -12.637 62.0801 TIMING: 2726400 CPU: 7911.62, 0.00293244/step Wall: 7911.62, 0.00293244/step, 1.852 hours remaining, 206.777344 MB of memory in use. ENERGY: 2726400 745.1170 2082.4631 1969.5802 105.0729 -205985.0839 17760.3359 0.0000 0.0000 34586.2508 -148736.2641 302.0503 -183322.5149 -148638.3031 300.5022 -44.3115 -15.0378 558470.3490 1.5458 1.4918 PRESSURE: 2726600 108.423 19.7934 203.176 19.7929 186.254 14.9701 203.176 14.9691 268.64 GPRESSURE: 2726600 191.922 86.8098 190.458 -7.57595 197.702 -2.37881 161.511 -7.28054 266.238 PRESSAVG: 2726600 -72.2873 -5.14563 6.27525 -5.1455 -14.1942 -17.2747 6.27525 -17.2747 84.1185 GPRESSAVG: 2726600 -70.5988 -3.77961 9.95047 -5.70169 -14.9446 -18.432 2.69409 -16.9401 83.6826 TIMING: 2726600 CPU: 7912.2, 0.00289229/step Wall: 7912.2, 0.00289229/step, 1.82648 hours remaining, 206.777344 MB of memory in use. ENERGY: 2726600 724.9987 2110.9000 1979.7217 124.9551 -205912.5758 17807.4274 0.0000 0.0000 34539.5692 -148625.0036 301.6426 -183164.5728 -148528.6428 300.9662 187.7725 218.6206 555964.2604 -0.7877 -0.6203 PRESSURE: 2726800 224.67 157.77 36.7248 157.771 4.64001 -65.1214 36.7252 -65.121 -137.728 GPRESSURE: 2726800 242.46 188.249 34.5453 128.02 31.566 -155.398 12.3642 -100.025 -94.3006 PRESSAVG: 2726800 -36.7285 -14.3774 8.27311 -14.3775 20.218 2.28211 8.27317 2.28215 38.0541 GPRESSAVG: 2726800 -36.6846 -15.061 8.42629 -13.2783 18.9398 3.38981 9.09093 0.0427589 39.5211 TIMING: 2726800 CPU: 7912.79, 0.00293361/step Wall: 7912.79, 0.00293361/step, 1.85241 hours remaining, 206.777344 MB of memory in use. ENERGY: 2726800 730.3128 2057.7776 1955.5209 111.6703 -205534.1338 17524.8859 0.0000 0.0000 34522.0818 -148631.8845 301.4899 -183153.9663 -148526.0717 300.8038 30.5274 59.9083 556413.0187 7.1812 7.2588 PRESSURE: 2727000 -183.713 10.8915 92.9876 10.8918 -150.807 -74.6217 92.9894 -74.6203 -42.1162 GPRESSURE: 2727000 -180.328 51.0542 53.8448 -13.5325 -116.746 -114.571 63.1402 -1.22367 17.8084 PRESSAVG: 2727000 36.639 -2.08066 -16.3426 -2.08067 -51.3044 -3.61371 -16.3427 -3.61373 18.9304 GPRESSAVG: 2727000 35.6748 -0.60377 -16.9404 -4.0615 -48.4446 -4.96076 -15.518 -1.84544 17.1812 TIMING: 2727000 CPU: 7913.37, 0.0029076/step Wall: 7913.37, 0.0029076/step, 1.83583 hours remaining, 206.777344 MB of memory in use. ENERGY: 2727000 765.8740 2078.9295 1951.7449 112.6970 -205530.0510 17646.9231 0.0000 0.0000 34065.2254 -148908.6571 297.5001 -182973.8825 -148822.2347 299.6783 -125.5451 -93.0887 557751.9106 1.4217 1.4705 PRESSURE: 2727200 30.9833 -230.057 -64.1073 -230.057 293.979 -113.592 -64.1081 -113.593 180.97 GPRESSURE: 2727200 64.6636 -269.171 -117.607 -222.166 308.215 -26.3665 -34.7587 -95.1827 229.609 PRESSAVG: 2727200 16.8601 -20.058 58.2038 -20.058 20.2254 -9.01368 58.2037 -9.01367 -20.1561 GPRESSAVG: 2727200 17.1223 -20.1285 58.1116 -19.246 18.4502 -10.2511 57.9646 -9.71453 -18.7291 TIMING: 2727200 CPU: 7913.96, 0.00293366/step Wall: 7913.96, 0.00293366/step, 1.85212 hours remaining, 206.777344 MB of memory in use. ENERGY: 2727200 740.5075 2067.3774 1951.1404 112.2703 -206198.3223 17934.4637 0.0000 0.0000 34342.9517 -149049.6114 299.9255 -183392.5630 -148952.3562 298.3515 168.6443 200.8289 558851.8393 5.6431 5.6145 PRESSURE: 2727400 -300.376 141.044 -110.255 141.043 84.7425 174.192 -110.255 174.194 -103.775 GPRESSURE: 2727400 -299.533 144.05 -74.7301 90.4928 148.049 195.855 -61.7883 156.077 -69.6096 PRESSAVG: 2727400 27.3107 -25.5308 -15.8726 -25.5308 15.6756 -53.0266 -15.8727 -53.0266 -57.2416 GPRESSAVG: 2727400 27.7981 -25.2561 -15.4409 -25.3806 16.5004 -52.8255 -15.1357 -49.9811 -58.5912 TIMING: 2727400 CPU: 7914.54, 0.0029153/step Wall: 7914.54, 0.0029153/step, 1.84037 hours remaining, 206.777344 MB of memory in use. ENERGY: 2727400 725.5583 2108.3347 1955.2551 103.1586 -205679.3166 17603.7786 0.0000 0.0000 34203.0544 -148980.1770 298.7038 -183183.2313 -148886.8325 298.8978 -106.4697 -73.6980 558477.1676 -4.7518 -4.7642 PRESSURE: 2727600 -78.6651 43.2319 92.8958 43.2318 -163.355 107.695 92.896 107.696 4.34087 GPRESSURE: 2727600 -36.8881 41.5318 150.633 108.445 -103.608 57.9176 53.1466 148.537 -5.00497 PRESSAVG: 2727600 -27.4641 0.52047 -15.7722 0.520547 7.23768 59.424 -15.7722 59.424 8.58793 GPRESSAVG: 2727600 -28.2896 0.773915 -16.7301 1.0879 8.25227 61.6602 -15.8678 57.3856 8.58301 TIMING: 2727600 CPU: 7915.12, 0.00290732/step Wall: 7915.12, 0.00290732/step, 1.83517 hours remaining, 206.777344 MB of memory in use. ENERGY: 2727600 775.0551 2083.0464 1951.7503 106.5491 -205944.5690 17647.2853 0.0000 0.0000 34427.1049 -148953.7779 300.6605 -183380.8828 -148855.4636 299.6439 -79.2263 -48.5005 558260.1329 -3.8795 -3.8181 PRESSURE: 2727800 -238.438 184.951 1.05578 184.95 11.548 -106.873 1.05723 -106.873 -106.949 GPRESSURE: 2727800 -176.24 186.92 18.7688 111.926 -29.539 -27.2673 -51.4988 -177.14 -31.0342 PRESSAVG: 2727800 -3.86632 -6.62987 51.2897 -6.62984 28.5109 -27.3672 51.2898 -27.3672 -30.1272 GPRESSAVG: 2727800 -4.44504 -6.03822 51.07 -7.16543 28.4508 -30.1531 52.7814 -25.7291 -29.4528 TIMING: 2727800 CPU: 7915.7, 0.00289476/step Wall: 7915.7, 0.00289476/step, 1.82708 hours remaining, 206.777344 MB of memory in use. ENERGY: 2727800 788.5519 2110.9281 1952.1733 110.4344 -205555.2361 17605.7689 0.0000 0.0000 34330.0973 -148657.2823 299.8133 -182987.3795 -148559.9919 300.1825 -111.2796 -78.9379 558663.6455 -1.8275 -1.8157 PRESSURE: 2728000 -78.2857 -73.3937 19.0085 -73.3936 -44.944 147.877 19.0077 147.878 -78.5765 GPRESSURE: 2728000 -69.3003 -129.995 -7.44221 -77.0765 -20.7713 80.2884 -15.8101 172.99 -17.4916 PRESSAVG: 2728000 -41.7045 -42.3164 53.1406 -42.3164 79.3575 -67.4658 53.1407 -67.4657 -16.4013 GPRESSAVG: 2728000 -40.5045 -42.5073 53.6031 -41.6864 79.2762 -65.4187 53.5003 -70.6667 -17.7405 TIMING: 2728000 CPU: 7916.28, 0.00292255/step Wall: 7916.28, 0.00292255/step, 1.84446 hours remaining, 206.777344 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: 2728000 771.0136 2072.9856 1954.7247 107.1403 -205487.0651 17519.1317 0.0000 0.0000 34359.8992 -148702.1700 300.0735 -183062.0692 -148609.0675 300.8344 -67.2687 -35.8544 558021.6541 7.0839 7.0104 PRESSURE: 2728200 61.7992 79.5126 165.904 79.5128 -31.6495 -98.5043 165.905 -98.5048 -265.461 GPRESSURE: 2728200 53.4498 59.7717 120.898 24.0905 -1.58354 -9.79908 217.894 -209.69 -197.596 PRESSAVG: 2728200 12.7357 1.29062 -17.5997 1.29068 46.1051 -30.9426 -17.5996 -30.9427 -84.4127 GPRESSAVG: 2728200 11.8317 -0.912615 -16.5287 1.57037 46.9638 -32.1828 -18.7266 -31.3771 -84.1746 TIMING: 2728200 CPU: 7916.87, 0.00290993/step Wall: 7916.87, 0.00290993/step, 1.83633 hours remaining, 206.777344 MB of memory in use. ENERGY: 2728200 736.4301 2129.0125 1919.0662 112.2948 -205635.6754 17500.4744 0.0000 0.0000 34338.0896 -148900.3080 299.8831 -183238.3976 -148798.0862 299.8691 -78.4371 -48.5767 557750.7750 -8.5240 -8.4597 LDB: ============= START OF LOAD BALANCING ============== 7920.33 LDB: ============== END OF LOAD BALANCING =============== 7920.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7920.34 LDB: ============= START OF LOAD BALANCING ============== 7920.63 LDB: Largest compute 4821 load 0.032708 is 27.8% of average load 0.117718 LDB: Average compute 0.001731 is 1.5% of average load 0.117718 LDB: TIME 7920.63 LOAD: AVG 0.117718 MAX 0.180038 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 7920.63 LOAD: AVG 0.117718 MAX 0.180038 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: TIME 7920.63 LOAD: AVG 0.117718 MAX 0.180038 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.801 MB LDB: ============== END OF LOAD BALANCING =============== 7920.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7920.64 PRESSURE: 2728400 0.225933 -14.3591 123.563 -14.3582 105.735 -39.9848 123.563 -39.9852 53.0348 GPRESSURE: 2728400 13.1592 -16.3657 104.805 0.213192 146.797 3.16417 177.24 -36.2064 82.5401 PRESSAVG: 2728400 25.4166 5.94183 16.0314 5.94182 35.8814 26.6212 16.0315 26.6213 -87.916 GPRESSAVG: 2728400 26.4512 7.97779 17.5318 6.68664 34.9589 26.3781 15.2148 28.1992 -87.7561 TIMING: 2728400 CPU: 7917.46, 0.00297245/step Wall: 7917.46, 0.00297245/step, 1.87562 hours remaining, 206.132812 MB of memory in use. ENERGY: 2728400 745.6609 2153.8172 1947.1067 111.6992 -206094.8717 17892.6037 0.0000 0.0000 34242.9014 -149001.0826 299.0518 -183243.9840 -148907.3122 299.6390 52.9987 80.8321 556410.2652 -8.8726 -8.7820 PRESSURE: 2728600 133.95 -126.156 -112.299 -126.156 333.162 47.019 -112.299 47.0188 -130.888 GPRESSURE: 2728600 113.378 -153.017 -200.526 -79.7122 350.496 109.705 9.17945 -19.5527 -32.1517 PRESSAVG: 2728600 -38.043 -9.50731 -7.28897 -9.5074 40.421 7.19534 -7.28905 7.19526 -36.5616 GPRESSAVG: 2728600 -38.0041 -8.1288 -7.41188 -11.0465 40.8671 7.83443 -6.43385 6.69727 -36.5002 TIMING: 2728600 CPU: 7918.05, 0.00292333/step Wall: 7918.05, 0.00292333/step, 1.84446 hours remaining, 206.132812 MB of memory in use. ENERGY: 2728600 732.1713 2092.8050 1932.5278 117.8951 -206030.3836 17713.4040 0.0000 0.0000 34335.2389 -149106.3414 299.8582 -183441.5804 -149002.4583 299.4816 112.0750 143.9077 555823.9945 -11.3945 -11.2124 PRESSURE: 2728800 -149.682 191.199 23.7793 191.199 265.547 62.2326 23.7799 62.2324 132.664 GPRESSURE: 2728800 -98.9533 142.122 87.0024 171.284 299.325 35.5238 -98.0711 47.1972 137.666 PRESSAVG: 2728800 67.2338 40.6906 -2.45792 40.6906 5.2842 34.2352 -2.45801 34.2352 -46.2497 GPRESSAVG: 2728800 67.4766 40.0152 -4.57492 41.855 6.47868 33.915 -2.98632 34.1634 -47.3183 TIMING: 2728800 CPU: 7918.62, 0.00289627/step Wall: 7918.62, 0.00289626/step, 1.82722 hours remaining, 206.132812 MB of memory in use. ENERGY: 2728800 702.8526 2143.1607 1939.7275 118.1598 -205833.9701 17678.6845 0.0000 0.0000 34313.0832 -148938.3018 299.6647 -183251.3850 -148839.7968 299.3793 82.8429 112.6794 556643.5465 8.7561 8.8790 PRESSURE: 2729000 -25.1819 -18.3183 23.9019 -18.3186 -7.75541 111.086 23.9023 111.088 218.933 GPRESSURE: 2729000 28.0131 -16.9258 -3.84929 -38.3587 41.4183 87.8288 -28.6762 168.676 205.512 PRESSAVG: 2729000 -109.876 -5.01274 -72.1695 -5.01275 80.9893 90.8683 -72.1694 90.8683 -20.6373 GPRESSAVG: 2729000 -110.239 -5.04307 -71.1075 -5.46191 80.5422 89.99 -73.18 92.6243 -19.1043 TIMING: 2729000 CPU: 7919.2, 0.00289499/step Wall: 7919.2, 0.00289499/step, 1.82625 hours remaining, 206.132812 MB of memory in use. ENERGY: 2729000 742.3959 2080.8062 1966.2811 110.2841 -206056.1150 17840.8944 0.0000 0.0000 34413.9266 -148901.5266 300.5454 -183315.4532 -148805.1335 299.9690 61.9987 91.6479 556835.3745 -16.5079 -16.2670 PRESSURE: 2729200 48.0055 55.2782 -149.826 55.278 239.189 -91.2015 -149.825 -91.2019 224.273 GPRESSURE: 2729200 111.474 80.8916 -106.625 114.459 176.187 -56.5723 -203.693 -103.105 321.071 PRESSAVG: 2729200 -13.3093 6.8504 -21.5635 6.85034 27.6965 54.1058 -21.5635 54.1058 -17.6892 GPRESSAVG: 2729200 -13.1611 6.39301 -22.8104 6.46207 28.6751 55.1689 -19.9053 54.6049 -18.6982 TIMING: 2729200 CPU: 7919.78, 0.00288171/step Wall: 7919.78, 0.00288171/step, 1.81772 hours remaining, 206.132812 MB of memory in use. ENERGY: 2729200 728.1971 2067.6029 1956.3282 113.1377 -206369.0412 17902.6851 0.0000 0.0000 34637.2034 -148963.8868 302.4953 -183601.0901 -148865.0684 300.2354 170.4891 202.9106 556575.3771 -1.1007 -1.0614 PRESSURE: 2729400 -87.8384 98.1422 -20.5511 98.1424 118.194 174.801 -20.55 174.802 124.328 GPRESSURE: 2729400 -13.2238 120.397 92.2887 62.0494 100.144 228.566 48.4953 141.798 166.438 PRESSAVG: 2729400 -37.6344 33.6571 6.89164 33.657 3.12108 40.5992 6.89169 40.5993 -26.1193 GPRESSAVG: 2729400 -37.8976 35.9423 5.59742 32.7234 1.5771 41.6248 7.24821 38.9535 -24.0759 TIMING: 2729400 CPU: 7920.36, 0.00289958/step Wall: 7920.36, 0.00289958/step, 1.82883 hours remaining, 206.132812 MB of memory in use. ENERGY: 2729400 751.7815 2092.8415 1936.3815 112.3816 -205941.5878 17481.3823 0.0000 0.0000 34612.4489 -148954.3704 302.2791 -183566.8193 -148858.4137 299.7000 51.5614 84.4527 556295.4063 -20.2109 -20.1321 PRESSURE: 2729600 66.4068 20.2095 -80.7691 20.2092 -311.136 -26.8233 -80.7683 -26.8229 -197.878 GPRESSURE: 2729600 56.6677 -12.8185 -152.312 -59.4638 -185.824 41.7507 -44.6249 -59.0939 -210.682 PRESSAVG: 2729600 -52.0523 -21.8019 2.51078 -21.8019 31.6647 16.1432 2.51087 16.1433 -10.036 GPRESSAVG: 2729600 -52.0647 -25.1512 4.42045 -20.5491 33.1532 16.8452 1.50246 15.7317 -11.5627 TIMING: 2729600 CPU: 7920.94, 0.00291402/step Wall: 7920.94, 0.00291402/step, 1.83777 hours remaining, 206.132812 MB of memory in use. ENERGY: 2729600 757.3770 2036.3951 1945.5692 106.9676 -205862.1793 17481.6929 0.0000 0.0000 34493.1924 -149040.9850 301.2376 -183534.1775 -148944.0359 299.0502 -147.5358 -113.2792 556580.4753 -10.1412 -10.1581 PRESSURE: 2729800 -153.548 70.5654 79.5184 70.5652 227.511 -61.5083 79.5186 -61.5081 76.1151 GPRESSURE: 2729800 -148.761 181.785 57.5515 13.5274 283.287 -119.894 110.852 31.4388 130.839 PRESSAVG: 2729800 -30.3574 8.8624 -10.3812 8.86229 50.7722 -4.38274 -10.3811 -4.38278 -19.6576 GPRESSAVG: 2729800 -30.0442 10.4988 -11.8897 8.11706 50.2824 -3.95046 -9.97025 -4.8365 -19.6119 TIMING: 2729800 CPU: 7921.53, 0.00292951/step Wall: 7921.53, 0.00292951/step, 1.84738 hours remaining, 206.132812 MB of memory in use. ENERGY: 2729800 773.3446 2078.7727 1941.5544 103.6512 -206007.9645 17812.9910 0.0000 0.0000 34239.2006 -149058.4500 299.0195 -183297.6506 -148964.0052 299.3442 50.0260 88.4550 557679.3898 0.2524 0.2088 PRESSURE: 2730000 -0.177372 -116.873 -76.781 -116.874 -158.272 -44.23 -76.7817 -44.2319 -242.833 GPRESSURE: 2730000 -19.3953 -151.176 -148.859 -106.911 -125.53 -73.3017 16.2487 -16.0056 -162.112 PRESSAVG: 2730000 -45.4693 -22.0871 -32.9153 -22.0871 36.1431 5.3406 -32.9151 5.34066 24.0935 GPRESSAVG: 2730000 -46.4348 -24.073 -30.4435 -21.9898 36.6909 4.33748 -33.6532 6.34675 24.5732 TIMING: 2730000 CPU: 7922.1, 0.00287381/step Wall: 7922.1, 0.00287381/step, 1.81209 hours remaining, 206.132812 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: 2730000 738.3428 2100.5979 1976.5275 103.6938 -206076.2325 17772.4762 0.0000 0.0000 34252.9963 -149131.5981 299.1399 -183384.5944 -149031.2504 299.4177 -133.7611 -102.3456 558691.2917 4.9225 4.9431 PRESSURE: 2730200 21.4526 -129.005 41.8434 -129.003 -159.024 141.929 41.8435 141.93 -192.351 GPRESSURE: 2730200 43.9115 -227.609 73.7958 -46.1453 -99.9949 191.001 121.155 58.639 -163.53 PRESSAVG: 2730200 -1.88293 -34.79 8.92187 -34.7902 10.5143 5.64959 8.92172 5.64949 -13.9568 GPRESSAVG: 2730200 -1.85637 -32.68 6.70498 -35.2005 10.8499 5.51761 9.35229 5.90378 -13.6086 TIMING: 2730200 CPU: 7922.68, 0.00288575/step Wall: 7922.68, 0.00288575/step, 1.81947 hours remaining, 206.132812 MB of memory in use. ENERGY: 2730200 775.3846 2072.3867 1942.1979 102.7990 -206098.8185 17717.2577 0.0000 0.0000 34370.8079 -149117.9849 300.1688 -183488.7927 -149021.7688 299.8080 -109.9741 -73.2046 557428.4651 -1.7751 -1.5383 PRESSURE: 2730400 124.548 13.4678 76.9999 13.4672 82.2208 139.367 76.9983 139.367 49.603 GPRESSURE: 2730400 81.3512 35.9525 53.7742 53.5235 122.764 84.2272 73.6084 85.6741 146.366 PRESSAVG: 2730400 -20.4136 -16.3013 -13.0508 -16.3014 44.4124 -4.02687 -13.0508 -4.02688 -22.7835 GPRESSAVG: 2730400 -18.6875 -17.415 -13.3136 -16.6884 43.4241 -5.53565 -11.8505 -3.40956 -23.6539 TIMING: 2730400 CPU: 7923.26, 0.0028879/step Wall: 7923.26, 0.0028879/step, 1.82066 hours remaining, 206.132812 MB of memory in use. ENERGY: 2730400 758.1140 2073.6213 1973.6102 120.4240 -206376.1017 18007.9983 0.0000 0.0000 34355.5599 -149086.7741 300.0356 -183442.3340 -148989.3235 299.3490 85.4572 116.8272 557211.0913 0.4051 0.3609 PRESSURE: 2730600 -43.3538 -38.5714 25.7795 -38.571 -78.0226 -128.222 25.7787 -128.221 117.521 GPRESSURE: 2730600 -29.8479 2.2914 24.5371 -0.821315 27.4922 -149.044 14.2341 -92.6727 98.9907 PRESSAVG: 2730600 -17.9894 -8.8425 -1.70725 -8.84254 -1.04195 -20.6806 -1.70711 -20.6807 10.4762 GPRESSAVG: 2730600 -17.7154 -9.38493 -1.30962 -7.34579 -0.955364 -20.2525 -1.33897 -22.2583 10.0702 TIMING: 2730600 CPU: 7923.84, 0.00288705/step Wall: 7923.84, 0.00288705/step, 1.81996 hours remaining, 206.132812 MB of memory in use. ENERGY: 2730600 733.7139 2099.6134 1936.5202 115.1987 -206477.1233 17952.0192 0.0000 0.0000 34555.5024 -149084.5555 301.7818 -183640.0579 -148979.5997 299.0170 -1.2851 32.2116 559308.2346 -2.8517 -2.8668 PRESSURE: 2730800 -106.536 42.571 -72.2555 42.5711 112.043 -14.5802 -72.256 -14.5795 -25.0568 GPRESSURE: 2730800 -80.7287 71.3449 19.8134 -21.8882 92.628 -36.6302 -140.158 -24.5356 66.909 PRESSAVG: 2730800 -11.0999 3.36473 30.773 3.36466 -25.5186 -21.1672 30.773 -21.1671 38.1725 GPRESSAVG: 2730800 -11.6612 6.41078 29.9886 1.5322 -25.5557 -19.6681 29.3989 -21.0226 39.0533 TIMING: 2730800 CPU: 7924.42, 0.00290733/step Wall: 7924.42, 0.00290733/step, 1.83259 hours remaining, 206.132812 MB of memory in use. ENERGY: 2730800 698.7651 2069.8464 1949.2536 107.1320 -206056.7843 17746.0065 0.0000 0.0000 34455.7682 -149030.0125 300.9108 -183485.7807 -148931.5040 298.8819 -6.5165 26.2694 559527.7567 0.5180 0.6121 PRESSURE: 2731000 268.824 -81.1785 115.334 -81.1781 -15.9982 196.598 115.333 196.6 -47.3909 GPRESSURE: 2731000 305.597 -120.396 17.9668 -23.9636 2.39418 134.884 134.151 277.143 -1.44612 PRESSAVG: 2731000 41.9022 -20.0281 -8.66029 -20.0281 -1.14209 -49.0963 -8.66033 -49.0963 -26.9348 GPRESSAVG: 2731000 40.4962 -21.3439 -7.87109 -19.8005 -0.00383195 -46.5613 -10.6537 -49.2967 -26.4115 TIMING: 2731000 CPU: 7925, 0.00290594/step Wall: 7925, 0.00290594/step, 1.83155 hours remaining, 206.132812 MB of memory in use. ENERGY: 2731000 733.7801 2120.1900 1972.7139 121.6840 -206097.1697 17806.3754 0.0000 0.0000 34296.5878 -149045.8384 299.5206 -183342.4262 -148945.2824 300.1349 68.4784 102.1817 557398.2608 4.6084 4.6936 PRESSURE: 2731200 -79.3485 12.2937 164.018 12.294 -196.265 14.3324 164.018 14.334 -121.114 GPRESSURE: 2731200 -67.1312 -18.9485 245.063 43.8775 -135.705 1.27455 102.759 -38.9949 -105.995 PRESSAVG: 2731200 38.3416 21.1311 50.3645 21.131 -30.3998 7.42274 50.3645 7.42266 -18.8533 GPRESSAVG: 2731200 39.6305 23.1003 52.0772 20.0609 -30.8355 4.08963 50.6658 7.77615 -20.0926 TIMING: 2731200 CPU: 7925.58, 0.00290848/step Wall: 7925.58, 0.00290848/step, 1.83299 hours remaining, 206.222656 MB of memory in use. ENERGY: 2731200 727.2833 2158.5163 1936.3279 120.4232 -205744.0001 17514.0400 0.0000 0.0000 34179.2191 -149108.1902 298.4956 -183287.4093 -149011.7855 298.9468 -132.2425 -102.9439 558239.4589 -3.6372 -3.7659 PRESSURE: 2731400 -20.7157 -37.8053 15.6606 -37.8072 -35.7546 97.5463 15.6599 97.5447 -42.6557 GPRESSURE: 2731400 4.34791 -132.382 25.4062 49.4242 -4.29924 146.88 -51.2263 69.8072 8.16558 PRESSAVG: 2731400 9.04115 16.5044 43.8094 16.5043 -25.6279 1.26922 43.8094 1.26928 17.0937 GPRESSAVG: 2731400 7.60277 13.5269 42.8572 20.0523 -24.4656 1.29587 44.8015 2.13662 17.6283 TIMING: 2731400 CPU: 7926.16, 0.00290504/step Wall: 7926.16, 0.00290504/step, 1.83066 hours remaining, 206.425781 MB of memory in use. ENERGY: 2731400 776.9752 2062.1327 1935.2450 108.4851 -205740.0593 17626.9078 0.0000 0.0000 34256.3078 -148974.0057 299.1689 -183230.3135 -148873.8255 299.6985 -33.0420 2.7381 557192.4689 0.1690 0.2552 PRESSURE: 2731600 16.7131 -27.1829 -20.1072 -27.1836 7.91766 -45.545 -20.1067 -45.5452 -143.618 GPRESSURE: 2731600 60.5984 -119.044 -17.9341 41.1241 0.136372 102.655 33.6689 -50.0519 -60.828 PRESSAVG: 2731600 7.35801 -22.8549 38.0479 -22.855 25.0027 27.5271 38.0478 27.5272 -19.0912 GPRESSAVG: 2731600 8.36088 -22.8831 38.2119 -23.5054 23.7633 29.1691 37.8915 27.2766 -18.4641 TIMING: 2731600 CPU: 7926.74, 0.00290668/step Wall: 7926.74, 0.00290668/step, 1.83153 hours remaining, 206.425781 MB of memory in use. ENERGY: 2731600 747.8965 2113.7569 1962.1939 117.4017 -205938.7325 17577.0494 0.0000 0.0000 34468.8260 -148951.6081 301.0248 -183420.4341 -148858.2963 299.7353 -39.6622 -0.0311 557129.6683 4.4232 4.5534 PRESSURE: 2731800 -9.58328 -30.3387 -93.408 -30.3373 221.784 100.304 -93.4074 100.304 71.8027 GPRESSURE: 2731800 55.8344 -7.71047 -55.9769 -78.4597 254.262 146.592 -45.0407 136.392 79.9949 PRESSAVG: 2731800 -42.9163 -46.0662 33.6528 -46.0661 15.7549 -25.6146 33.6527 -25.6146 92.1383 GPRESSAVG: 2731800 -43.6614 -43.8557 32.7451 -47.7792 16.6522 -26.2825 34.1387 -25.2779 92.0347 TIMING: 2731800 CPU: 7927.32, 0.00289059/step Wall: 7927.32, 0.00289059/step, 1.82124 hours remaining, 206.425781 MB of memory in use. ENERGY: 2731800 758.3467 2110.0978 1946.5069 106.7540 -205997.2825 17843.4066 0.0000 0.0000 34204.8690 -149027.3015 298.7196 -183232.1705 -148935.6167 299.1020 94.6678 130.0304 557232.6584 21.6590 21.6752 PRESSURE: 2732000 -184.928 12.1669 -99.0603 12.1676 67.3507 -37.619 -99.0608 -37.6201 -44.5303 GPRESSURE: 2732000 -116.602 -65.6838 -101.214 36.348 30.6246 -16.7994 -109.338 -124.077 21.7657 PRESSAVG: 2732000 -31.9132 -4.09798 -0.802429 -4.09802 -15.6219 9.44197 -0.802507 9.44196 -10.0019 GPRESSAVG: 2732000 -30.6992 -4.04575 -1.05137 -2.50102 -17.1526 9.04022 0.239589 9.04233 -10.4626 TIMING: 2732000 CPU: 7927.89, 0.00287306/step Wall: 7927.89, 0.00287306/step, 1.81003 hours remaining, 206.425781 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: 2732000 748.6847 2120.1207 1946.6296 99.3979 -205632.9712 17605.8639 0.0000 0.0000 34288.4659 -148823.8085 299.4497 -183112.2744 -148725.4495 299.4179 -54.0360 -21.4040 557969.0931 -19.1790 -19.4382 PRESSURE: 2732200 -385.908 -19.3217 -74.8834 -19.3217 -230.785 -115.573 -74.8825 -115.574 -86.3086 GPRESSURE: 2732200 -358.27 2.14345 -45.7864 -35.8623 -216.924 -73.8541 -133.033 -124.732 -34.0715 PRESSAVG: 2732200 -25.7309 -22.6038 -37.3292 -22.6037 -33.1236 14.3477 -37.3292 14.3475 100.263 GPRESSAVG: 2732200 -24.9256 -24.4521 -36.5682 -23.8753 -32.2203 13.7125 -38.6532 14.9833 98.5794 TIMING: 2732200 CPU: 7928.47, 0.00288384/step Wall: 7928.47, 0.00288384/step, 1.81666 hours remaining, 206.425781 MB of memory in use. ENERGY: 2732200 752.6100 2084.5930 1962.2195 115.2866 -205657.5009 17527.2106 0.0000 0.0000 34333.6454 -148881.9358 299.8443 -183215.5811 -148792.3816 300.2749 -234.3338 -203.0887 559290.7120 13.8028 13.8111 LDB: ============= START OF LOAD BALANCING ============== 7931.94 LDB: ============== END OF LOAD BALANCING =============== 7931.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7931.94 LDB: ============= START OF LOAD BALANCING ============== 7932.23 LDB: Largest compute 4821 load 0.031827 is 27.0% of average load 0.117695 LDB: Average compute 0.001727 is 1.5% of average load 0.117695 LDB: TIME 7932.23 LOAD: AVG 0.117695 MAX 0.180318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 7932.23 LOAD: AVG 0.117695 MAX 0.180318 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 7932.23 LOAD: AVG 0.117695 MAX 0.180318 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: ============== END OF LOAD BALANCING =============== 7932.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7932.24 PRESSURE: 2732400 -24.5147 -24.5221 -162.254 -24.523 -73.5136 -32.6177 -162.255 -32.616 -287.098 GPRESSURE: 2732400 21.9816 7.56047 -108.551 -97.6612 -51.5225 -51.9845 -190.338 -46.3123 -264.964 PRESSAVG: 2732400 -15.8343 -22.448 -17.9418 -22.448 -4.1189 -31.2905 -17.9419 -31.2904 -14.2928 GPRESSAVG: 2732400 -18.0817 -23.9033 -18.4805 -20.8293 -3.93998 -31.2283 -17.7651 -33.1812 -11.9823 TIMING: 2732400 CPU: 7929.07, 0.00297032/step Wall: 7929.07, 0.00297032/step, 1.87097 hours remaining, 205.878906 MB of memory in use. ENERGY: 2732400 784.7141 2095.4825 1960.2608 106.4360 -205897.2293 17700.3062 0.0000 0.0000 34179.1334 -149070.8963 298.4949 -183250.0297 -148970.3932 299.5136 -128.3754 -98.1683 559801.3845 -11.4153 -11.3347 PRESSURE: 2732600 -310.435 63.2854 38.3093 63.2845 -19.3763 -23.4838 38.3094 -23.4853 98.7645 GPRESSURE: 2732600 -267.81 154.78 15.7235 10.1289 -11.8042 -33.6815 25.9942 10.308 141.447 PRESSAVG: 2732600 -37.3231 -10.3066 -27.02 -10.3066 -32.0368 51.2916 -27.02 51.2917 60.4641 GPRESSAVG: 2732600 -37.3294 -11.1322 -27.1078 -9.90744 -32.134 50.7676 -27.8747 53.5734 60.4433 TIMING: 2732600 CPU: 7929.64, 0.00289285/step Wall: 7929.64, 0.00289285/step, 1.82201 hours remaining, 206.082031 MB of memory in use. ENERGY: 2732600 753.2331 2063.6061 1951.9721 102.8527 -205853.4128 17725.8720 0.0000 0.0000 34286.2792 -148969.5976 299.4306 -183255.8768 -148879.3680 298.9363 -77.0157 -46.0558 559096.9173 -2.9653 -3.0067 PRESSURE: 2732800 -3.21657 99.8719 144.073 99.8716 -19.3453 160.451 144.073 160.452 209.968 GPRESSURE: 2732800 25.899 149.496 93.8353 58.7278 -31.386 190.759 117.16 143.162 276.593 PRESSAVG: 2732800 -32.3979 38.4544 -4.09594 38.4544 32.4814 -17.7515 -4.09599 -17.7516 24.9757 GPRESSAVG: 2732800 -32.014 40.8958 -3.19562 37.6926 32.8881 -18.4439 -2.91102 -16.8635 24.4492 TIMING: 2732800 CPU: 7930.22, 0.0028757/step Wall: 7930.22, 0.0028757/step, 1.81105 hours remaining, 206.082031 MB of memory in use. ENERGY: 2732800 721.8876 2055.3304 1967.9328 111.8970 -206058.5854 17807.1176 0.0000 0.0000 34276.4861 -149117.9339 299.3451 -183394.4200 -149026.2706 299.2052 62.4687 90.3685 557678.6805 8.3531 8.4411 PRESSURE: 2733000 13.7811 12.8723 -44.9626 12.8708 225.918 -93.55 -44.9614 -93.55 -76.931 GPRESSURE: 2733000 -17.7119 -46.0961 -53.8919 58.4876 204.479 -117.139 -97.3628 -123.71 66.8899 PRESSAVG: 2733000 -66.4848 18.821 -7.24688 18.8208 -16.6992 29.7001 -7.24689 29.7001 90.0793 GPRESSAVG: 2733000 -64.9824 16.5269 -6.58084 18.7687 -17.9064 31.0187 -9.26857 28.7034 89.4007 TIMING: 2733000 CPU: 7930.8, 0.00288816/step Wall: 7930.8, 0.00288816/step, 1.81874 hours remaining, 206.082031 MB of memory in use. ENERGY: 2733000 737.5585 2076.2806 1977.1116 128.2718 -206358.3515 18121.5758 0.0000 0.0000 34117.8315 -149199.7217 297.9595 -183317.5533 -149101.3032 298.8999 54.2559 84.5524 559081.1509 2.2984 2.1707 PRESSURE: 2733200 85.121 54.3965 63.6016 54.3957 -90.4128 -38.4889 63.6014 -38.4888 -190.39 GPRESSURE: 2733200 162.891 -45.2285 45.6133 133.339 -62.591 -131.937 76.9416 -45.6396 -196.721 PRESSAVG: 2733200 -37.3714 21.5886 3.6796 21.5887 48.231 10.6102 3.67963 10.6102 -7.32746 GPRESSAVG: 2733200 -37.4579 23.0489 2.30222 21.4921 48.0131 11.3584 3.52332 10.6092 -6.74371 TIMING: 2733200 CPU: 7931.38, 0.00289358/step Wall: 7931.38, 0.00289358/step, 1.82199 hours remaining, 206.082031 MB of memory in use. ENERGY: 2733200 741.8408 2075.3437 1980.2158 121.5037 -206489.4867 18016.8428 0.0000 0.0000 34340.6324 -149213.1074 299.9053 -183553.7398 -149117.5870 299.5247 -65.2271 -32.1406 557543.3181 1.1774 1.2705 PRESSURE: 2733400 -185.993 12.8637 85.733 12.8652 -268.832 70.0341 85.7322 70.0359 6.12607 GPRESSURE: 2733400 -158.192 76.7747 17.5686 -35.3274 -204.998 9.07976 142.089 81.1608 20.0857 PRESSAVG: 2733400 55.9341 -46.1292 22.4325 -46.1292 -39.3083 19.6172 22.4326 19.6173 21.0894 GPRESSAVG: 2733400 54.9668 -46.419 22.8857 -47.6954 -38.4083 18.2347 22.6552 18.5083 21.5335 TIMING: 2733400 CPU: 7931.95, 0.00288428/step Wall: 7931.95, 0.00288428/step, 1.81597 hours remaining, 206.082031 MB of memory in use. ENERGY: 2733400 739.5889 2078.7234 1963.1382 120.1077 -205816.5854 17549.0131 0.0000 0.0000 34263.7978 -149102.2164 299.2343 -183366.0141 -149007.8425 300.3193 -149.5664 -114.3679 556492.8601 12.5718 12.6973 PRESSURE: 2733600 -184.77 -16.4354 -136.647 -16.4359 41.0369 -47.9765 -136.647 -47.9758 -152.798 GPRESSURE: 2733600 -173.68 101.115 -101.395 -26.6919 102.938 -5.47846 -75.2979 -82.8174 -110.216 PRESSAVG: 2733600 53.2345 -15.6074 -30.1081 -15.6074 12.0839 -12.1095 -30.1082 -12.1095 -4.42229 GPRESSAVG: 2733600 52.7688 -15.4755 -30.2165 -15.7703 12.9508 -10.6521 -29.4797 -11.4925 -4.61938 TIMING: 2733600 CPU: 7932.53, 0.00287926/step Wall: 7932.53, 0.00287926/step, 1.81265 hours remaining, 206.082031 MB of memory in use. ENERGY: 2733600 779.0211 2063.7437 1956.0745 112.6495 -206383.0011 17958.2065 0.0000 0.0000 34318.7175 -149194.5884 299.7139 -183513.3059 -149106.7332 299.4910 -98.8439 -60.3192 557402.9517 20.2987 20.3668 PRESSURE: 2733800 -54.4394 70.8407 -95.6264 70.84 -30.3715 -49.5865 -95.6264 -49.5861 49.2021 GPRESSURE: 2733800 -29.4213 43.9203 -77.7489 135.145 -30.7853 -43.8206 -86.5833 -77.57 108.491 PRESSAVG: 2733800 -17.4179 51.7032 17.4817 51.7032 -16.1904 -6.24595 17.4817 -6.24588 87.1544 GPRESSAVG: 2733800 -17.659 51.5709 17.2567 52.2516 -17.8971 -7.50849 19.0557 -6.88561 88.8964 TIMING: 2733800 CPU: 7933.1, 0.0028829/step Wall: 7933.1, 0.0028829/step, 1.81479 hours remaining, 206.082031 MB of memory in use. ENERGY: 2733800 769.4022 2031.2570 1989.4272 134.9801 -205904.1567 17694.1241 0.0000 0.0000 34134.9039 -149150.0623 298.1086 -183284.9662 -149067.1156 300.1420 -11.8696 16.0948 556721.7596 17.8487 17.7801 PRESSURE: 2734000 -448.847 34.9652 -80.2764 34.9643 158.866 74.0116 -80.276 74.0117 -121.524 GPRESSURE: 2734000 -400.581 29.0552 -81.9109 -13.0873 186.868 68.7332 3.57532 25.5724 -107.555 PRESSAVG: 2734000 -47.861 41.5128 15.1409 41.5128 -4.10969 -9.74513 15.1408 -9.74502 71.3612 GPRESSAVG: 2734000 -47.3203 43.7541 15.8078 41.0695 -2.70382 -9.69331 13.3792 -8.34166 69.1782 TIMING: 2734000 CPU: 7933.68, 0.00287245/step Wall: 7933.68, 0.00287245/step, 1.80805 hours remaining, 206.082031 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: 2734000 733.1013 2076.0567 1959.4477 121.4878 -206050.5955 17640.2577 0.0000 0.0000 34382.6602 -149137.5841 300.2723 -183520.2444 -149046.8672 299.4927 -137.1682 -107.0894 557397.3415 6.4635 6.3847 PRESSURE: 2734200 -157.711 -52.8785 163.288 -52.879 -69.0367 -26.7739 163.288 -26.7716 281.794 GPRESSURE: 2734200 -127.954 -153.958 167.985 66.7038 -22.8077 -118.846 86.9839 83.5262 300.978 PRESSAVG: 2734200 -61.2503 -58.0164 39.4876 -58.0164 15.0834 17.4229 39.4875 17.4229 57.412 GPRESSAVG: 2734200 -60.2206 -58.4447 40.2255 -57.9407 13.419 19.1262 39.1398 16.2114 57.9287 TIMING: 2734200 CPU: 7934.26, 0.00290983/step Wall: 7934.26, 0.00290983/step, 1.83141 hours remaining, 206.171875 MB of memory in use. ENERGY: 2734200 718.7542 2041.4696 1953.3069 116.7857 -205648.9567 17688.7520 0.0000 0.0000 34279.5623 -148850.3261 299.3719 -183129.8885 -148751.2773 299.5569 18.3488 50.0722 557991.0498 3.7484 3.7091 PRESSURE: 2734400 -127.292 18.0828 -76.4085 18.0815 16.625 -165.114 -76.4081 -165.116 -12.0368 GPRESSURE: 2734400 -91.7939 27.6585 -39.4819 82.3292 95.235 -200.697 -96.5414 -47.9945 -14.7926 PRESSAVG: 2734400 -23.4823 19.7282 26.6094 19.7282 -8.56801 -1.42994 26.6094 -1.42989 37.7986 GPRESSAVG: 2734400 -24.1167 20.4374 25.3334 20.2776 -7.84708 -0.987668 27.3614 -2.41708 38.2102 TIMING: 2734400 CPU: 7934.84, 0.00289305/step Wall: 7934.84, 0.00289305/step, 1.8207 hours remaining, 206.171875 MB of memory in use. ENERGY: 2734400 743.9261 2067.9907 1972.2092 121.5669 -206053.6283 17805.0654 0.0000 0.0000 34452.5498 -148890.3201 300.8827 -183342.8700 -148789.1556 299.6623 -40.9014 -3.7838 559275.8103 1.9161 2.0822 PRESSURE: 2734600 -41.4869 86.8746 67.9491 86.8767 39.1852 -119.65 67.949 -119.651 52.715 GPRESSURE: 2734600 -1.88457 128.537 -41.041 138.242 39.9715 -72.8242 26.8894 -19.3726 103.451 PRESSAVG: 2734600 11.6114 17.878 31.8829 17.878 -14.1769 27.0606 31.883 27.0606 29.0647 GPRESSAVG: 2734600 12.4764 19.0045 32.8286 17.7281 -14.7492 26.5743 33.127 28.3326 28.4151 TIMING: 2734600 CPU: 7935.42, 0.00289726/step Wall: 7935.42, 0.00289726/step, 1.82318 hours remaining, 206.171875 MB of memory in use. ENERGY: 2734600 756.8528 2073.5361 1951.6291 103.3338 -205951.4974 17884.0424 0.0000 0.0000 34207.1581 -148974.9450 298.7396 -183182.1032 -148878.8859 300.0768 16.8044 47.1793 558513.6324 8.8331 8.7141 PRESSURE: 2734800 299.478 1.65985 19.7527 1.65943 93.1299 0.936634 19.7528 0.936283 160.577 GPRESSURE: 2734800 282.49 7.60977 10.1798 -19.3464 123.217 60.4252 -1.15358 -48.0886 243.658 PRESSAVG: 2734800 38.9438 8.46537 15.0059 8.46537 -15.4316 -22.1125 15.0059 -22.1125 -12.7747 GPRESSAVG: 2734800 37.4042 4.88849 14.0869 8.69078 -13.929 -21.75 14.3781 -22.5346 -12.7647 TIMING: 2734800 CPU: 7936, 0.00288886/step Wall: 7936, 0.00288886/step, 1.81773 hours remaining, 206.171875 MB of memory in use. ENERGY: 2734800 749.1429 2117.2166 1958.7781 122.1888 -206582.0581 18154.3685 0.0000 0.0000 34378.0717 -149102.2914 300.2323 -183480.3631 -149011.3969 299.5556 184.3950 216.4549 557323.5091 3.5792 3.5701 PRESSURE: 2735000 -55.533 -127.238 37.6428 -127.239 -145.293 -104.761 37.6431 -104.761 -33.6313 GPRESSURE: 2735000 19.5298 -86.6794 -28.3054 -132.462 -122.561 -112.991 69.8743 -50.6157 -38.6432 PRESSAVG: 2735000 -5.55349 -7.43757 4.02797 -7.43753 14.5667 -24.1493 4.02794 -24.1495 23.9884 GPRESSAVG: 2735000 -5.21112 -4.78623 4.57993 -9.75726 13.7874 -26.552 3.5315 -23.9697 24.3607 TIMING: 2735000 CPU: 7936.57, 0.00287566/step Wall: 7936.57, 0.00287566/step, 1.80927 hours remaining, 206.171875 MB of memory in use. ENERGY: 2735000 753.7783 2092.0664 1932.9025 120.6889 -206193.5617 17795.2806 0.0000 0.0000 34382.7891 -149116.0558 300.2734 -183498.8449 -149022.4360 299.2813 -78.1523 -47.2248 558457.4807 11.0005 10.9790 PRESSURE: 2735200 -288.253 -102.811 15.8879 -102.809 -345.852 -167.316 15.8874 -167.314 -126.844 GPRESSURE: 2735200 -269.087 -59.2935 -110.928 -26.7215 -271.495 -198.494 85.0892 -136.121 -125.878 PRESSAVG: 2735200 -22.1227 17.4121 28.7404 17.4121 -19.3294 -28.485 28.7403 -28.4849 40.9634 GPRESSAVG: 2735200 -21.6229 17.6041 28.2037 18.0966 -19.7986 -27.5669 28.5987 -28.2964 40.9227 TIMING: 2735200 CPU: 7937.15, 0.00287559/step Wall: 7937.15, 0.00287559/step, 1.80907 hours remaining, 206.171875 MB of memory in use. ENERGY: 2735200 757.3536 2117.8452 1954.3417 130.7884 -205892.7452 17496.1350 0.0000 0.0000 34177.3119 -149258.9696 298.4790 -183436.2814 -149163.1528 298.7873 -253.6494 -222.1535 556918.7639 -0.1629 -0.1663 PRESSURE: 2735400 213.631 75.862 15.1932 75.8625 -266.354 -208.419 15.1933 -208.418 -280.789 GPRESSURE: 2735400 252.832 15.333 -38.5424 14.3891 -243.821 -186.744 80.6458 -208.395 -240.957 PRESSAVG: 2735400 105.334 -12.031 35.5894 -12.0309 -15.9737 -21.1164 35.5894 -21.1164 -49.2298 GPRESSAVG: 2735400 106.155 -14.2791 34.8988 -9.72324 -15.5914 -21.2427 37.1539 -19.8391 -49.9465 TIMING: 2735400 CPU: 7937.72, 0.00288265/step Wall: 7937.72, 0.00288265/step, 1.81335 hours remaining, 206.171875 MB of memory in use. ENERGY: 2735400 742.7595 2129.2922 1944.8341 112.8810 -206480.7474 17814.8997 0.0000 0.0000 34324.0488 -149412.0321 299.7605 -183736.0809 -149320.0410 299.1211 -111.1705 -77.3155 559328.2407 13.3769 13.5389 PRESSURE: 2735600 62.5663 69.3133 -209.447 69.313 -221.427 -70.6686 -209.448 -70.6681 -295.341 GPRESSURE: 2735600 51.6364 71.0347 -235.319 20 -209.641 -11.7772 -203.565 -77.4347 -191.169 PRESSAVG: 2735600 19.3137 -41.092 -22.9231 -41.092 -55.0719 -0.0345646 -22.9231 -0.0345367 41.7561 GPRESSAVG: 2735600 17.4097 -42.1862 -21.6417 -41.4446 -54.8559 1.7858 -25.0514 -2.26991 43.6287 TIMING: 2735600 CPU: 7938.3, 0.00288194/step Wall: 7938.3, 0.00288194/step, 1.81274 hours remaining, 206.171875 MB of memory in use. ENERGY: 2735600 767.2579 2074.8997 1963.5907 120.9039 -206434.3851 17681.1928 0.0000 0.0000 34434.6336 -149391.9064 300.7262 -183826.5399 -149297.2718 298.9639 -151.4008 -116.3914 557665.3193 1.9993 2.0608 PRESSURE: 2735800 6.64203 -104.865 -34.2604 -104.866 -246.465 133.503 -34.2609 133.501 284.361 GPRESSURE: 2735800 -7.18892 -102.851 -37.9821 -55.4709 -223.537 141.654 -82.5287 101.359 359.342 PRESSAVG: 2735800 17.5542 14.8037 0.846551 14.8037 -52.7567 14.7948 0.846464 14.7949 37.9948 GPRESSAVG: 2735800 17.6993 17.5568 -0.158253 14.8566 -51.9277 14.1058 1.97631 14.4478 37.8878 TIMING: 2735800 CPU: 7938.88, 0.00288931/step Wall: 7938.88, 0.00288931/step, 1.81722 hours remaining, 206.171875 MB of memory in use. ENERGY: 2735800 729.3351 2133.0259 1967.6428 108.9425 -206606.2217 17933.0871 0.0000 0.0000 34107.2096 -149626.9787 297.8667 -183734.1883 -149529.7909 298.6325 14.8458 42.8720 558569.7146 0.9308 1.2198 PRESSURE: 2736000 -209.431 -19.5529 -34.2717 -19.5528 -68.5869 78.9974 -34.272 78.9981 -254.314 GPRESSURE: 2736000 -231.488 -34.0603 33.0725 -48.6231 -26.9518 88.0819 -0.369466 -36.5855 -177.097 PRESSAVG: 2736000 -26.6792 -12.424 -46.5247 -12.424 -17.3849 -32.2795 -46.5246 -32.2795 40.3718 GPRESSAVG: 2736000 -25.3583 -14.4891 -46.5218 -12.5687 -18.1651 -33.1016 -47.0587 -33.0886 39.5522 TIMING: 2736000 CPU: 7939.45, 0.00288467/step Wall: 7939.45, 0.00288467/step, 1.81414 hours remaining, 206.171875 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: 2736000 772.4373 2131.3126 1949.9081 125.8567 -206228.4929 17737.4558 0.0000 0.0000 34119.5720 -149391.9503 297.9747 -183511.5223 -149300.3999 298.4706 -177.4440 -145.1789 559809.9334 -1.2308 -1.3237 PRESSURE: 2736200 -121.491 -89.1304 -185.842 -89.1292 2.71432 -105.876 -185.841 -105.878 -15.4431 GPRESSURE: 2736200 -115.753 -181.512 -81.8877 -62.652 59.5895 -31.3058 -246.933 -84.3822 8.4972 PRESSAVG: 2736200 -11.1987 -8.78137 -50.4143 -8.78132 -11.2091 -40.1833 -50.4143 -40.1833 26.7542 GPRESSAVG: 2736200 -11.3992 -7.58163 -46.6038 -9.64278 -10.7284 -40.9342 -50.7418 -37.9011 27.0113 TIMING: 2736200 CPU: 7940.03, 0.00288541/step Wall: 7940.03, 0.00288541/step, 1.81444 hours remaining, 206.171875 MB of memory in use. ENERGY: 2736200 772.2202 2096.8976 1935.5961 107.1566 -206400.9514 17930.8862 0.0000 0.0000 34073.0810 -149485.1136 297.5687 -183558.1947 -149394.8288 298.8445 -44.7401 -15.8886 558916.2012 1.4488 1.6279 LDB: ============= START OF LOAD BALANCING ============== 7943.5 LDB: ============== END OF LOAD BALANCING =============== 7943.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7943.5 LDB: ============= START OF LOAD BALANCING ============== 7943.79 LDB: Largest compute 4821 load 0.031344 is 26.6% of average load 0.117691 LDB: Average compute 0.001725 is 1.5% of average load 0.117691 LDB: TIME 7943.79 LOAD: AVG 0.117691 MAX 0.181141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.992 MB LDB: TIME 7943.79 LOAD: AVG 0.117691 MAX 0.181141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: TIME 7943.79 LOAD: AVG 0.117691 MAX 0.181141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7943.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7943.8 PRESSURE: 2736400 180.453 207.837 -35.81 207.838 -13.2438 -23.9014 -35.8081 -23.9035 141.208 GPRESSURE: 2736400 167.881 139.405 -71.5703 177.062 14.7787 16.8663 -14.0641 -49.1295 222.491 PRESSAVG: 2736400 42.6368 6.33616 -56.1292 6.33625 -25.3428 3.789 -56.1292 3.78896 -52.2291 GPRESSAVG: 2736400 42.7415 5.65954 -57.5459 5.50304 -26.3591 4.31267 -56.9063 2.78817 -51.3506 TIMING: 2736400 CPU: 7940.62, 0.00295476/step Wall: 7940.62, 0.00295476/step, 1.85789 hours remaining, 204.906250 MB of memory in use. ENERGY: 2736400 760.1995 2095.4280 1964.0411 131.8957 -206604.5420 18076.7133 0.0000 0.0000 34377.6672 -149198.5971 300.2287 -183576.2643 -149099.1654 298.7749 102.8058 135.0499 560220.7761 -11.6450 -11.6561 PRESSURE: 2736600 -66.2046 -9.75226 -113.245 -9.75271 43.9288 33.4008 -113.247 33.3996 -87.2205 GPRESSURE: 2736600 -52.9977 -68.516 -49.0151 0.564283 105.645 43.5569 -143.734 45.1271 -48.6463 PRESSAVG: 2736600 10.2788 36.9913 11.4917 36.9913 -2.15775 50.1863 11.4916 50.1862 -2.78555 GPRESSAVG: 2736600 10.5532 35.1443 11.0904 39.0311 -2.18228 48.9855 12.8056 50.0176 -3.11017 TIMING: 2736600 CPU: 7941.2, 0.00289189/step Wall: 7941.2, 0.00289189/step, 1.81819 hours remaining, 205.109375 MB of memory in use. ENERGY: 2736600 729.4274 2107.4139 1948.3233 106.6716 -206075.3086 17787.2087 0.0000 0.0000 34266.5140 -149129.7498 299.2580 -183396.2638 -149037.7166 299.5463 -36.4988 1.3338 559529.0562 1.7785 1.7536 PRESSURE: 2736800 -69.8921 -103.541 -135.397 -103.541 -259.758 54.517 -135.398 54.5177 -177.113 GPRESSURE: 2736800 -77.758 -112.434 -131.068 -39.8162 -191.769 4.9768 -143.75 101.892 -140.43 PRESSAVG: 2736800 17.8742 33.0027 -42.608 33.0028 32.8071 -26.5786 -42.608 -26.5786 -43.9775 GPRESSAVG: 2736800 18.2931 35.8681 -42.114 31.9987 33.2775 -26.5539 -43.5756 -23.6106 -44.8607 TIMING: 2736800 CPU: 7941.78, 0.00289194/step Wall: 7941.78, 0.00289194/step, 1.81807 hours remaining, 205.109375 MB of memory in use. ENERGY: 2736800 765.1827 2139.7951 1977.6153 109.6590 -205879.4294 17680.1924 0.0000 0.0000 34284.5310 -148922.4540 299.4153 -183206.9850 -148830.5012 299.9940 -168.9208 -136.6523 558272.2377 2.2346 2.2366 PRESSURE: 2737000 241.789 42.3207 -78.2109 42.3214 151.78 -116.27 -78.2126 -116.268 499.877 GPRESSURE: 2737000 322.715 58.4658 -28.2716 -25.5186 133.231 -72.2999 -60.0254 -49.8476 527.245 PRESSAVG: 2737000 -25.9528 0.279091 -37.023 0.279085 -43.352 -22.4817 -37.0229 -22.4817 64.9392 GPRESSAVG: 2737000 -26.5647 0.0814281 -38.0307 -1.11882 -43.2875 -19.9961 -35.5247 -25.9551 65.8788 TIMING: 2737000 CPU: 7942.36, 0.00290972/step Wall: 7942.36, 0.00290972/step, 1.82908 hours remaining, 205.109375 MB of memory in use. ENERGY: 2737000 728.8061 2061.4546 1940.6874 127.2252 -206271.6701 18146.4847 0.0000 0.0000 34412.7901 -148854.2219 300.5355 -183267.0121 -148754.7398 299.9681 297.8155 327.7302 556740.5276 -1.4552 -1.3245 PRESSURE: 2737200 26.2356 -163.601 -139.108 -163.601 234.829 -26.839 -139.108 -26.8391 34.494 GPRESSURE: 2737200 102.491 -57.1383 -115.292 -208.641 265.054 8.35828 -121.447 -93.3618 19.6651 PRESSAVG: 2737200 0.426396 -10.4083 -30.466 -10.4083 -22.6644 -29.6117 -30.4659 -29.6117 37.3596 GPRESSAVG: 2737200 1.04839 -10.3365 -29.8682 -8.54333 -22.5887 -28.8591 -30.5518 -29.03 37.3746 TIMING: 2737200 CPU: 7942.94, 0.00291595/step Wall: 7942.94, 0.00291595/step, 1.83284 hours remaining, 205.109375 MB of memory in use. ENERGY: 2737200 760.3254 2079.4747 1955.5413 126.2161 -206284.8276 18036.9681 0.0000 0.0000 34306.6832 -149019.6186 299.6088 -183326.3018 -148924.6022 299.2044 98.5197 129.0700 557196.3555 5.0405 5.2781 PRESSURE: 2737400 -124.146 -50.6701 20.2403 -50.6689 163.519 84.1781 20.2411 84.1773 -129.244 GPRESSURE: 2737400 -104.012 -150.161 3.72739 105.736 228.481 69.4712 -14.5132 73.631 -113.89 PRESSAVG: 2737400 -24.6311 -28.7692 -36.6684 -28.7691 -33.6752 55.5703 -36.6684 55.5703 7.69035 GPRESSAVG: 2737400 -25.125 -30.4042 -38.0807 -28.0064 -33.9281 55.2106 -38.0751 55.6123 8.57388 TIMING: 2737400 CPU: 7943.52, 0.00287736/step Wall: 7943.52, 0.00287736/step, 1.80842 hours remaining, 205.109375 MB of memory in use. ENERGY: 2737400 718.7078 2089.6090 1978.4686 130.4437 -205778.2310 17708.1168 0.0000 0.0000 34078.6019 -149074.2833 297.6169 -183152.8852 -148990.8245 299.2281 -29.9568 3.5265 558051.7540 -16.8720 -16.8264 PRESSURE: 2737600 -106.259 -64.794 -10.5918 -64.7942 -23.4892 -94.9255 -10.5915 -94.9241 156.232 GPRESSURE: 2737600 -83.6596 -90.2198 -52.826 11.1495 -29.5451 -118.542 -42.6356 0.176387 233.112 PRESSAVG: 2737600 25.2888 17.6268 2.58137 17.6268 -9.80985 -17.9716 2.58139 -17.9716 -29.246 GPRESSAVG: 2737600 25.055 20.6012 5.20843 13.5943 -9.78336 -18.7338 2.49192 -18.1461 -28.9736 TIMING: 2737600 CPU: 7944.1, 0.00287844/step Wall: 7944.1, 0.00287844/step, 1.80894 hours remaining, 205.109375 MB of memory in use. ENERGY: 2737600 725.4756 2077.5065 1958.5371 121.4224 -206024.9137 17763.4064 0.0000 0.0000 34334.4184 -149044.1473 299.8510 -183378.5657 -148946.5639 299.0114 8.8279 39.9692 557315.3139 -4.5890 -4.5673 PRESSURE: 2737800 208.345 -4.03479 81.6775 -4.03545 -87.6291 283.137 81.677 283.137 6.85312 GPRESSURE: 2737800 203.435 -15.0422 8.36254 43.7913 -14.0266 253.562 92.7104 257.013 43.2094 PRESSAVG: 2737800 -1.14059 -36.537 -39.0535 -36.537 -13.9835 10.0928 -39.0534 10.0928 36.7974 GPRESSAVG: 2737800 -0.048052 -39.6936 -40.0892 -32.581 -13.9937 8.65287 -37.6562 12.5971 35.6761 TIMING: 2737800 CPU: 7944.67, 0.00287011/step Wall: 7944.67, 0.00287011/step, 1.80355 hours remaining, 205.109375 MB of memory in use. ENERGY: 2737800 740.6113 2084.7797 1947.8715 114.7171 -205824.5942 17818.4408 0.0000 0.0000 34201.3522 -148916.8215 298.6889 -183118.1737 -148829.5185 299.8698 42.5230 77.5392 558808.5654 7.2245 7.2114 PRESSURE: 2738000 -396.705 30.1249 -76.5681 30.1249 -152.229 4.11552 -76.569 4.11566 -92.9446 GPRESSURE: 2738000 -310.005 -8.27495 34.9307 92.659 -169.102 16.6858 -83.4868 3.84582 -62.1717 PRESSAVG: 2738000 -8.87369 5.02255 -15.8366 5.02247 62.5342 -16.5075 -15.8366 -16.5075 -71.4459 GPRESSAVG: 2738000 -8.79866 5.96355 -14.4278 3.12236 62.6835 -13.4112 -18.6387 -19.8356 -71.6047 TIMING: 2738000 CPU: 7945.24, 0.00287368/step Wall: 7945.24, 0.00287368/step, 1.80563 hours remaining, 205.109375 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: 2738000 757.6812 2072.3236 1983.4437 118.9967 -205893.4489 17562.7977 0.0000 0.0000 34427.2467 -148970.9594 300.6617 -183398.2062 -148877.3297 299.7495 -213.9597 -180.4261 558091.4592 -5.9285 -5.9066 PRESSURE: 2738200 -185.444 44.2949 132.736 44.2947 -48.1401 -22.1476 132.735 -22.1477 -202.655 GPRESSURE: 2738200 -110.632 15.4969 62.7711 66.75 -62.0956 17.7588 172.372 39.5521 -172.51 PRESSAVG: 2738200 12.8663 19.2733 20.6162 19.2735 22.9879 -6.99067 20.6162 -6.99085 -15.264 GPRESSAVG: 2738200 11.9589 22.0052 17.7022 17.3553 22.6766 -8.3651 24.4654 -3.94169 -14.4949 TIMING: 2738200 CPU: 7945.82, 0.00289492/step Wall: 7945.82, 0.00289492/step, 1.81882 hours remaining, 205.109375 MB of memory in use. ENERGY: 2738200 749.4828 2104.5628 1940.1248 135.4944 -205584.7959 17474.7616 0.0000 0.0000 34385.0083 -148795.3612 300.2928 -183180.3695 -148692.5073 300.2078 -145.4130 -115.0792 557656.8064 6.8634 6.7135 PRESSURE: 2738400 -38.9273 -33.6989 26.0182 -33.6994 -85.8317 -39.65 26.0179 -39.6497 -83.4343 GPRESSURE: 2738400 -34.93 -12.5384 73.2529 3.65033 -47.4823 -51.0536 -1.60479 31.2454 -22.5844 PRESSAVG: 2738400 27.8428 -43.7464 35.7868 -43.7464 -28.1689 15.223 35.7868 15.223 -13.3335 GPRESSAVG: 2738400 26.9576 -45.4821 37.9351 -41.402 -28.1598 13.7802 35.8999 14.5294 -12.8563 TIMING: 2738400 CPU: 7946.4, 0.00287118/step Wall: 7946.4, 0.00287118/step, 1.80374 hours remaining, 205.109375 MB of memory in use. ENERGY: 2738400 716.5076 2156.8318 1959.4033 120.3190 -205996.4311 17757.8834 0.0000 0.0000 34184.7220 -149100.7639 298.5437 -183285.4859 -149009.7457 300.4220 -69.3978 -34.9989 557689.7822 -4.5532 -4.6862 PRESSURE: 2738600 -151.189 -77.0099 40.5431 -77.01 85.4919 68.7054 40.5427 68.7075 4.68801 GPRESSURE: 2738600 -137.442 -169.142 -31.4281 19.0144 74.8735 -26.1885 194.023 94.727 97.6024 PRESSAVG: 2738600 -55.5466 -1.55002 26.5461 -1.55007 5.52003 -16.6737 26.5462 -16.6737 13.6912 GPRESSAVG: 2738600 -54.0627 -1.33414 24.6676 0.0317778 4.76358 -14.6077 25.4922 -17.2008 12.538 TIMING: 2738600 CPU: 7946.97, 0.00288384/step Wall: 7946.97, 0.00288384/step, 1.81153 hours remaining, 205.109375 MB of memory in use. ENERGY: 2738600 732.5471 2090.6237 1967.3821 125.9230 -205929.4594 17688.9431 0.0000 0.0000 34248.4046 -149075.6358 299.0998 -183324.0404 -148979.1514 298.9922 -20.3364 11.6781 558169.6464 -12.1118 -12.2537 PRESSURE: 2738800 -280.27 -122.51 185.554 -122.51 33.9955 0.269783 185.555 0.269674 -43.1417 GPRESSURE: 2738800 -248.862 -142.164 221.617 -110.995 117.949 12.0341 148.937 58.5357 -61.6587 PRESSAVG: 2738800 -53.1725 -74.5358 6.05166 -74.5357 19.9803 -14.3852 6.05164 -14.3852 45.7499 GPRESSAVG: 2738800 -52.6609 -74.5686 6.67879 -73.8713 20.2532 -14.6474 6.40684 -15.5309 44.807 TIMING: 2738800 CPU: 7947.55, 0.00285797/step Wall: 7947.55, 0.00285797/step, 1.79512 hours remaining, 205.109375 MB of memory in use. ENERGY: 2738800 754.0630 2113.2655 1954.9333 124.2733 -206039.8456 17592.4120 0.0000 0.0000 34300.5934 -149200.3052 299.5556 -183500.8986 -149100.9435 299.2606 -96.4721 -64.1906 557818.9414 4.1859 4.1331 PRESSURE: 2739000 -51.4202 -157.61 126.289 -157.611 -67.5844 81.4919 126.288 81.4906 96.4059 GPRESSURE: 2739000 22.0318 -88.6079 59.2906 -217.421 -55.8951 87.0484 173.322 55.778 105.847 PRESSAVG: 2739000 -33.2947 -6.44752 -2.25788 -6.44759 25.0035 -24.1934 -2.25787 -24.1935 59.2745 GPRESSAVG: 2739000 -33.4351 -5.79935 -3.02773 -8.41779 24.4016 -24.6417 -1.68816 -22.4795 59.6755 TIMING: 2739000 CPU: 7948.12, 0.00287241/step Wall: 7948.12, 0.00287241/step, 1.80403 hours remaining, 205.109375 MB of memory in use. ENERGY: 2739000 716.0686 2100.0042 1964.3403 115.9313 -206364.9195 17912.7526 0.0000 0.0000 34625.0150 -148930.8076 302.3889 -183555.8226 -148836.2149 300.4975 -7.5329 23.9946 558363.4474 16.9945 16.8807 PRESSURE: 2739200 -349.189 165.906 -46.7519 165.906 -196.858 -100.059 -46.7528 -100.06 32.9322 GPRESSURE: 2739200 -321.775 236.142 37.8283 219.665 -165.448 -59.7976 -54.3136 -147.862 65.9772 PRESSAVG: 2739200 19.4795 -3.55481 -21.2275 -3.55489 -109.087 -39.7136 -21.2275 -39.7135 37.2118 GPRESSAVG: 2739200 17.9915 -3.32193 -19.9944 -4.16146 -108.717 -41.3279 -22.6018 -38.9701 38.1993 TIMING: 2739200 CPU: 7948.7, 0.00287916/step Wall: 7948.7, 0.00287916/step, 1.80811 hours remaining, 205.109375 MB of memory in use. ENERGY: 2739200 767.4771 2150.5629 1941.7079 116.2811 -206202.1573 17510.4634 0.0000 0.0000 34554.8537 -149160.8112 301.7761 -183715.6649 -149067.6067 299.8723 -171.0385 -140.4151 557250.8494 -17.4650 -17.5088 PRESSURE: 2739400 101.779 -2.63551 98.0571 -2.63578 -181.229 -61.9611 98.057 -61.9607 4.7343 GPRESSURE: 2739400 83.3382 -19.0834 135.764 -13.0644 -57.5644 -101.38 77.3576 -7.37242 -10.0602 PRESSAVG: 2739400 0.736134 -13.1421 7.78807 -13.142 -43.0732 -4.23452 7.78804 -4.2344 45.8329 GPRESSAVG: 2739400 1.03387 -15.3469 7.33038 -10.7425 -42.2028 -1.1157 8.65871 -7.40762 45.1674 TIMING: 2739400 CPU: 7949.27, 0.00289051/step Wall: 7949.27, 0.00289051/step, 1.81508 hours remaining, 205.109375 MB of memory in use. ENERGY: 2739400 760.9226 2023.4197 1948.5809 101.7498 -206242.1828 17882.7517 0.0000 0.0000 34284.1666 -149240.5914 299.4122 -183524.7580 -149141.5226 299.3709 -24.9050 5.2379 557968.7763 1.1653 1.3328 PRESSURE: 2739600 -205.764 17.5747 119.945 17.5742 -224.513 -42.0396 119.944 -42.039 -29.0701 GPRESSURE: 2739600 -167.177 13.4798 124.594 109.386 -141.992 -83.1552 222.993 -32.8159 -44.9624 PRESSAVG: 2739600 26.7577 -25.0312 6.50611 -25.0312 4.00699 -7.29558 6.50597 -7.29554 2.41229 GPRESSAVG: 2739600 26.9987 -21.1389 5.92343 -25.7498 4.03254 -9.66694 7.60065 -4.93015 1.48667 TIMING: 2739600 CPU: 7949.85, 0.00289706/step Wall: 7949.85, 0.00289706/step, 1.81903 hours remaining, 205.109375 MB of memory in use. ENERGY: 2739600 754.7905 2058.2722 1961.8129 119.3606 -206207.9359 17703.0764 0.0000 0.0000 34192.0262 -149418.5970 298.6075 -183610.6232 -149330.7529 298.5332 -153.1156 -118.0439 558206.4955 11.0590 10.8393 PRESSURE: 2739800 -177.017 -37.1804 -40.6383 -37.1808 -46.4266 161.637 -40.6382 161.638 -127.727 GPRESSURE: 2739800 -159.823 -52.4385 49.9754 55.6703 -3.94688 133.871 -48.3368 244.794 -86.0247 PRESSAVG: 2739800 24.0539 -3.16633 71.6685 -3.16632 -7.43617 -28.7828 71.6686 -28.7828 -22.7525 GPRESSAVG: 2739800 25.0947 -4.52784 72.3841 -5.86188 -8.00959 -27.8724 70.8823 -28.6134 -22.8761 TIMING: 2739800 CPU: 7950.44, 0.0029161/step Wall: 7950.44, 0.0029161/step, 1.83082 hours remaining, 205.109375 MB of memory in use. ENERGY: 2739800 761.4022 2165.3447 1958.7367 121.9796 -206358.6403 17818.4648 0.0000 0.0000 34224.7958 -149307.9165 298.8937 -183532.7123 -149210.4903 299.2110 -117.0568 -83.2648 558093.8177 -2.0449 -1.9303 PRESSURE: 2740000 -107.86 62.5608 -16.0038 62.5597 -195.921 -154.659 -16.0038 -154.659 -247.707 GPRESSURE: 2740000 -98.7504 58.9759 -38.9853 -13.5278 -153.156 -134.249 -39.3447 -123.408 -208.396 PRESSAVG: 2740000 -31.0121 -33.075 -7.75224 -33.075 53.2638 10.3751 -7.75226 10.375 -43.204 GPRESSAVG: 2740000 -31.8766 -35.543 -6.46451 -31.6775 53.3901 10.1692 -8.26362 9.57449 -42.6748 TIMING: 2740000 CPU: 7951.02, 0.0029176/step Wall: 7951.02, 0.0029176/step, 1.83161 hours remaining, 205.109375 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: 2740000 774.1589 2092.1887 1947.6041 119.8269 -206364.5676 17846.8072 0.0000 0.0000 34216.8316 -149367.1501 298.8241 -183583.9816 -149268.1195 298.4176 -183.8295 -153.4339 559369.3324 -6.9841 -7.0538 PRESSURE: 2740200 49.9867 44.2654 -136.802 44.2653 39.8872 36.2568 -136.803 36.2585 232.957 GPRESSURE: 2740200 26.8274 11.4185 -90.1843 77.6461 131.524 92.6173 -181.829 17.497 250.876 PRESSAVG: 2740200 0.502673 19.8841 -8.32219 19.8841 -17.7494 1.03041 -8.32223 1.03034 46.2428 GPRESSAVG: 2740200 1.89279 22.8789 -7.22203 20.6435 -18.6864 1.98199 -9.96177 1.13107 44.8752 TIMING: 2740200 CPU: 7951.6, 0.00290966/step Wall: 7951.6, 0.00290966/step, 1.82646 hours remaining, 205.109375 MB of memory in use. ENERGY: 2740200 756.3139 2087.3681 1964.8525 119.7581 -206320.6410 17989.3524 0.0000 0.0000 34105.4680 -149297.5280 297.8515 -183402.9960 -149203.0506 299.0040 107.6103 136.4089 556581.4881 9.6654 9.3605 LDB: ============= START OF LOAD BALANCING ============== 7955.07 LDB: ============== END OF LOAD BALANCING =============== 7955.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7955.07 LDB: ============= START OF LOAD BALANCING ============== 7955.36 LDB: Largest compute 4821 load 0.032080 is 27.3% of average load 0.117725 LDB: Average compute 0.001732 is 1.5% of average load 0.117725 LDB: TIME 7955.37 LOAD: AVG 0.117725 MAX 0.181298 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 7955.37 LOAD: AVG 0.117725 MAX 0.181298 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: TIME 7955.37 LOAD: AVG 0.117725 MAX 0.181298 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7955.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7955.37 PRESSURE: 2740400 99.0409 -147.979 103.403 -147.978 -146.824 -3.30765 103.403 -3.30684 25.5353 GPRESSURE: 2740400 109.521 -102.184 74.345 -302.125 -81.808 -5.69893 78.5595 -63.3702 43.3853 PRESSAVG: 2740400 -4.10087 -13.2971 24.7923 -13.2971 25.9418 -2.89269 24.7923 -2.89271 -13.5522 GPRESSAVG: 2740400 -6.17988 -14.0557 24.4355 -14.1562 26.4354 -0.60318 26.7306 -5.17098 -12.4432 TIMING: 2740400 CPU: 7952.2, 0.0029691/step Wall: 7952.2, 0.0029691/step, 1.86361 hours remaining, 205.812500 MB of memory in use. ENERGY: 2740400 740.5458 2092.0189 1955.6023 113.8476 -206535.4435 17906.2628 0.0000 0.0000 34536.4891 -149190.6770 301.6157 -183727.1661 -149096.8050 299.7747 -7.4161 23.6995 558374.8110 2.7629 2.6041 PRESSURE: 2740600 -359.121 -21.0367 110.077 -21.0383 -214.734 43.9464 110.076 43.9469 -455.825 GPRESSURE: 2740600 -308.18 -32.1664 129.934 -61.203 -199.094 42.3303 170.944 35.284 -434.479 PRESSAVG: 2740600 -21.5313 8.79949 14.5447 8.79953 -20.6216 55.6619 14.5447 55.6619 -4.1712 GPRESSAVG: 2740600 -21.815 6.68026 10.181 10.8099 -20.0707 51.0544 15.6545 58.462 -4.74385 TIMING: 2740600 CPU: 7952.77, 0.00288419/step Wall: 7952.77, 0.00288419/step, 1.81015 hours remaining, 206.015625 MB of memory in use. ENERGY: 2740600 764.6110 2148.6920 1972.7402 108.5882 -205795.7130 17321.3551 0.0000 0.0000 34214.0886 -149265.6380 298.8001 -183479.7265 -149175.2647 299.4547 -343.2267 -313.9177 559644.9395 -15.4414 -15.5432 PRESSURE: 2740800 -265.387 -84.4642 -102.475 -84.4638 33.026 -54.7147 -102.476 -54.7137 65.3137 GPRESSURE: 2740800 -214.935 -28.9205 -69.7003 -85.2263 99.5639 -154.61 -114.345 -13.6383 33.6927 PRESSAVG: 2740800 -8.97237 6.5502 1.75864 6.55029 3.15873 78.3364 1.75858 78.3364 6.58306 GPRESSAVG: 2740800 -7.18904 8.81744 5.20838 5.00783 3.25389 79.0067 -0.894695 79.3462 4.81501 TIMING: 2740800 CPU: 7953.35, 0.00289363/step Wall: 7953.35, 0.00289363/step, 1.81591 hours remaining, 206.015625 MB of memory in use. ENERGY: 2740800 733.6934 2099.5967 1963.8749 114.7565 -206110.8379 17851.0866 0.0000 0.0000 34075.6974 -149272.1324 297.5915 -183347.8298 -149174.3168 299.0087 -55.6826 -27.2261 558465.4470 0.2565 0.2933 PRESSURE: 2741000 -9.43668 -3.25891 168.256 -3.25986 99.1003 -59.7243 168.255 -59.7266 209.903 GPRESSURE: 2741000 27.7329 46.3942 149.904 -79.874 139.373 -82.0654 159.718 -23.1148 221.315 PRESSAVG: 2741000 -2.92606 -5.67794 23.4091 -5.67797 33.9856 18.3579 23.4092 18.3579 -60.4914 GPRESSAVG: 2741000 -2.1855 -4.53219 22.7731 -6.41506 32.904 19.9054 24.6021 15.8592 -60.2357 TIMING: 2741000 CPU: 7953.93, 0.0028945/step Wall: 7953.93, 0.0028945/step, 1.8163 hours remaining, 206.015625 MB of memory in use. ENERGY: 2741000 756.4671 2109.6327 1973.3335 117.9132 -206436.4309 18073.4996 0.0000 0.0000 34229.1052 -149176.4797 298.9313 -183405.5849 -149083.5343 298.7302 99.8555 129.4736 558119.6797 -9.8106 -9.8391 PRESSURE: 2741200 51.0761 -0.257205 1.70183 -0.257799 61.4012 -70.5387 1.70158 -70.5402 31.5151 GPRESSURE: 2741200 137.727 57.576 96.4845 -81.2002 31.148 12.2828 -23.1662 -76.9052 71.0898 PRESSAVG: 2741200 -25.0579 44.8574 46.5923 44.8573 18.1338 -10.5154 46.5922 -10.5154 -39.8507 GPRESSAVG: 2741200 -25.8497 44.8468 44.9185 46.1181 17.9025 -10.0048 47.8274 -10.9222 -38.6549 TIMING: 2741200 CPU: 7954.51, 0.0028926/step Wall: 7954.51, 0.0028926/step, 1.81494 hours remaining, 206.015625 MB of memory in use. ENERGY: 2741200 757.0214 2184.7061 2002.5534 116.3967 -206423.3091 17996.0427 0.0000 0.0000 34167.3517 -149199.2372 298.3920 -183366.5889 -149104.7614 299.5580 47.9974 79.9884 558188.2849 -15.5916 -15.5340 PRESSURE: 2741400 36.8688 -14.1473 65.2957 -14.1484 21.5285 -56.159 65.2969 -56.1602 -68.9154 GPRESSURE: 2741400 65.8101 27.207 83.941 1.32266 119.445 -81.9326 56.721 -21.1787 -106.037 PRESSAVG: 2741400 14.1042 -4.50978 -30.1747 -4.50979 -14.215 -37.9777 -30.1748 -37.9777 41.852 GPRESSAVG: 2741400 14.5658 -5.49528 -29.2739 -4.41488 -13.1241 -39.6369 -30.7102 -35.8047 40.5804 TIMING: 2741400 CPU: 7955.09, 0.00291083/step Wall: 7955.09, 0.00291083/step, 1.82622 hours remaining, 206.140625 MB of memory in use. ENERGY: 2741400 774.5094 2144.6262 1985.8200 128.1527 -206304.4566 17847.3736 0.0000 0.0000 34225.0734 -149198.9013 298.8961 -183423.9747 -149107.0444 299.3415 -3.5061 26.4061 557161.2032 13.9137 14.0074 PRESSURE: 2741600 127.555 -76.5669 50.3883 -76.566 94.7493 -71.5765 50.3889 -71.5774 -25.5396 GPRESSURE: 2741600 150.501 -123.876 40.254 -77.1239 97.9372 -7.18286 82.4966 -41.6619 46.7363 PRESSAVG: 2741600 -19.034 -10.3558 6.19317 -10.3558 40.787 -49.6865 6.19308 -49.6865 -7.83746 GPRESSAVG: 2741600 -18.4157 -11.3451 4.45035 -9.34867 39.4645 -49.4189 6.9695 -50.4316 -6.89261 TIMING: 2741600 CPU: 7955.68, 0.00292493/step Wall: 7955.68, 0.00292493/step, 1.83491 hours remaining, 206.140625 MB of memory in use. ENERGY: 2741600 756.6295 2117.5265 1954.4233 121.5781 -206492.6260 18048.3702 0.0000 0.0000 34432.3195 -149061.7789 300.7060 -183494.0984 -148966.4399 300.2023 65.5883 98.3914 558005.2201 4.6385 4.7187 PRESSURE: 2741800 104.991 -200.915 -72.9728 -200.914 -267.228 -121.903 -72.9728 -121.903 186.916 GPRESSURE: 2741800 158.037 -169.329 -143.696 -243.575 -244.553 -176.776 -48.731 -42.6901 215.011 PRESSAVG: 2741800 -11.0191 -56.659 -0.597314 -56.6589 8.54002 -1.75787 -0.597279 -1.75789 1.23714 GPRESSAVG: 2741800 -12.2067 -57.5631 0.33713 -57.6605 8.61789 -2.55844 -0.133909 -0.92199 2.33506 TIMING: 2741800 CPU: 7956.26, 0.00290423/step Wall: 7956.26, 0.00290423/step, 1.82176 hours remaining, 206.140625 MB of memory in use. ENERGY: 2741800 712.7709 2079.9932 1952.1698 110.6394 -206543.1199 17912.9217 0.0000 0.0000 34404.0176 -149370.6073 300.4588 -183774.6249 -149266.5011 298.6723 8.2263 42.8314 557546.8819 -0.4140 -0.4179 PRESSURE: 2742000 207.956 -127.108 -43.1208 -127.107 -0.729785 -137.142 -43.1216 -137.141 9.24889 GPRESSURE: 2742000 207.43 -93.1588 -25.3245 -178.128 60.6454 -143.598 -39.4431 -79.3012 38.9082 PRESSAVG: 2742000 -26.021 -45.0106 36.5506 -45.0106 33.8129 0.726071 36.5506 0.726091 -52.0405 GPRESSAVG: 2742000 -26.8286 -44.4711 36.7384 -45.4982 35.2048 -0.582706 36.482 1.26453 -52.5041 TIMING: 2742000 CPU: 7956.84, 0.00292339/step Wall: 7956.84, 0.00292339/step, 1.83362 hours remaining, 206.140625 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: 2742000 721.2943 2142.3437 1987.2557 101.4200 -206336.2182 17760.5367 0.0000 0.0000 34180.9877 -149442.3801 298.5111 -183623.3678 -149342.0910 298.5582 72.1584 102.3278 557718.6393 -14.7495 -14.7093 PRESSURE: 2742200 22.0352 165.725 2.33661 165.724 123.283 80.1431 2.33623 80.1425 137.446 GPRESSURE: 2742200 103.833 166.319 71.362 176.584 146.645 104.978 -153.547 -9.45336 139.359 PRESSAVG: 2742200 60.9566 -1.01105 -40.6797 -1.01111 7.27719 -38.9136 -40.6797 -38.9138 -28.2358 GPRESSAVG: 2742200 61.3357 0.230908 -41.6712 -2.01691 7.92037 -35.7752 -41.0903 -39.6673 -28.4713 TIMING: 2742200 CPU: 7957.43, 0.0029256/step Wall: 7957.43, 0.0029256/step, 1.83484 hours remaining, 206.140625 MB of memory in use. ENERGY: 2742200 697.3084 2160.1542 1961.7113 113.9288 -206518.1597 17804.3331 0.0000 0.0000 34317.7500 -149462.9738 299.7054 -183780.7239 -149366.9644 298.3871 94.2547 129.9460 555962.9440 13.3327 13.5949 PRESSURE: 2742400 -235.65 102.737 -77.721 102.739 -341.915 5.67491 -77.7213 5.676 -176.897 GPRESSURE: 2742400 -206.448 81.9513 -130.813 139.308 -290.831 -35.2393 -39.4431 67.0893 -182.744 PRESSAVG: 2742400 -16.2563 -2.56521 -36.8075 -2.56524 -8.73084 23.5858 -36.8074 23.5858 41.4794 GPRESSAVG: 2742400 -15.4492 -5.51668 -35.8047 -2.5145 -9.50272 23.2728 -38.9498 23.258 41.1108 TIMING: 2742400 CPU: 7958, 0.00288636/step Wall: 7958, 0.00288636/step, 1.81007 hours remaining, 206.140625 MB of memory in use. ENERGY: 2742400 749.7343 2038.4024 1989.6038 111.1790 -206483.0692 17635.7667 0.0000 0.0000 34382.6188 -149575.7643 300.2720 -183958.3831 -149476.3738 298.9830 -251.4874 -226.6744 557604.3777 5.4974 5.3863 PRESSURE: 2742600 -16.9188 -99.2094 -40.8435 -99.2083 -110.237 13.4056 -40.8423 13.4045 -30.6298 GPRESSURE: 2742600 45.9314 -84.3499 0.459023 -89.8569 -141.559 -21.0153 -19.2426 62.6948 28.157 PRESSAVG: 2742600 -5.24946 -6.74891 -42.4873 -6.74899 -16.0971 3.82547 -42.4873 3.82548 35.9768 GPRESSAVG: 2742600 -5.55355 -4.10786 -43.8222 -6.70233 -17.2649 5.22487 -41.2956 2.82337 37.0204 TIMING: 2742600 CPU: 7958.58, 0.00289653/step Wall: 7958.58, 0.00289653/step, 1.81628 hours remaining, 206.140625 MB of memory in use. ENERGY: 2742600 742.4035 2036.3314 1994.8946 117.9268 -206641.3146 17880.4802 0.0000 0.0000 34240.8551 -149628.4229 299.0339 -183869.2781 -149531.9000 297.8599 -52.5951 -22.4902 557429.7730 4.8767 4.7340 PRESSURE: 2742800 88.2939 -10.3648 -84.4692 -10.3662 -244.633 16.3026 -84.4707 16.3017 -75.076 GPRESSURE: 2742800 73.8821 0.321304 -74.7595 37.9748 -183.015 17.4492 -17.25 -11.3432 -24.1293 PRESSAVG: 2742800 30.7608 -47.7853 -62.6646 -47.7854 -70.2523 -26.624 -62.6646 -26.6239 77.9124 GPRESSAVG: 2742800 30.3811 -49.2364 -57.5671 -47.9674 -68.8781 -29.1841 -65.253 -25.4228 77.2745 TIMING: 2742800 CPU: 7959.16, 0.00289816/step Wall: 7959.16, 0.00289816/step, 1.81715 hours remaining, 206.140625 MB of memory in use. ENERGY: 2742800 737.0303 2085.6354 1968.0456 112.8996 -206410.1943 17740.3707 0.0000 0.0000 34247.0324 -149519.1804 299.0879 -183766.2128 -149419.1780 297.3724 -77.1382 -44.4207 556894.7802 12.8070 12.9258 PRESSURE: 2743000 122.633 -127.287 -54.7305 -127.288 165.737 -100.087 -54.7296 -100.089 256.657 GPRESSURE: 2743000 185.24 -71.1546 -116.518 -199.271 185.536 -120.809 -41.4187 -71.2736 275.338 PRESSAVG: 2743000 -8.37926 22.5096 6.09725 22.5096 -37.7812 -12.9085 6.09718 -12.9085 68.7148 GPRESSAVG: 2743000 -6.9437 22.3971 1.18473 22.4117 -38.182 -13.6782 9.09555 -14.371 67.6362 TIMING: 2743000 CPU: 7959.74, 0.0028832/step Wall: 7959.74, 0.0028832/step, 1.80761 hours remaining, 206.140625 MB of memory in use. ENERGY: 2743000 751.6094 2141.6368 1959.7643 117.9065 -206721.9249 18151.1777 0.0000 0.0000 34078.7171 -149521.1132 297.6179 -183599.8303 -149433.6498 298.9810 181.6758 215.3710 556216.5779 7.5181 7.5035 PRESSURE: 2743200 -123.468 77.1546 1.78387 77.1547 47.7085 -79.7896 1.78207 -79.7907 -265.909 GPRESSURE: 2743200 -78.3782 131.625 3.374 19.6886 23.3935 -82.5621 17.8707 -54.9603 -198.123 PRESSAVG: 2743200 45.6293 4.38704 25.6325 4.38696 -6.82026 -10.2072 25.6325 -10.2073 -13.219 GPRESSAVG: 2743200 45.4563 4.21645 26.1998 5.39788 -7.25113 -7.55609 26.4135 -8.46721 -13.2821 TIMING: 2743200 CPU: 7960.32, 0.00288936/step Wall: 7960.32, 0.00288936/step, 1.81131 hours remaining, 206.140625 MB of memory in use. ENERGY: 2743200 764.8693 2075.1356 1941.2541 130.8675 -206426.6212 17900.6311 0.0000 0.0000 33996.1914 -149617.6723 296.8972 -183613.8637 -149519.4530 298.3615 -113.8897 -84.3693 557291.9009 8.5300 8.3077 PRESSURE: 2743400 104.877 37.527 75.5762 37.5271 20.9653 114.728 75.5762 114.727 -104.527 GPRESSURE: 2743400 114.278 16.7414 61.1593 50.9758 29.8232 118.239 8.71428 89.0303 -32.8279 PRESSAVG: 2743400 43.038 22.5284 47.9529 22.5283 -42.0775 -17.4272 47.9529 -17.4273 18.7744 GPRESSAVG: 2743400 42.0275 22.6097 47.3615 21.4199 -42.0659 -19.9995 49.0542 -16.992 20.1421 TIMING: 2743400 CPU: 7960.9, 0.00289096/step Wall: 7960.9, 0.00289096/step, 1.81215 hours remaining, 206.140625 MB of memory in use. ENERGY: 2743400 755.9892 2098.1404 1955.1904 120.1854 -206587.1560 18008.4409 0.0000 0.0000 34087.9823 -149561.2274 297.6988 -183649.2097 -149458.9766 297.6658 7.1050 37.0910 556759.1527 6.5783 6.7012 PRESSURE: 2743600 -116.486 1.14912 -21.2048 1.14886 -92.7692 -200.204 -21.2051 -200.204 84.8172 GPRESSURE: 2743600 -49.3567 -29.0626 -33.2572 98.374 -59.2462 -75.7209 -49.061 -284.466 65.4838 PRESSAVG: 2743600 41.4884 -7.60196 39.7412 -7.60194 10.2062 10.6566 39.7413 10.6565 -25.9273 GPRESSAVG: 2743600 41.7962 -10.6717 38.7374 -5.54814 10.5835 11.9022 38.4455 9.02483 -26.1641 TIMING: 2743600 CPU: 7961.47, 0.0028849/step Wall: 7961.47, 0.0028849/step, 1.80819 hours remaining, 206.140625 MB of memory in use. ENERGY: 2743600 754.9854 2078.1489 1954.6385 120.9217 -206360.4152 17712.9817 0.0000 0.0000 34275.7656 -149462.9733 299.3388 -183738.7389 -149368.2411 298.8428 -41.4795 -14.3730 556364.0658 8.5891 8.7385 PRESSURE: 2743800 83.3305 208.684 79.0064 208.682 -138.447 -15.1372 79.0064 -15.1369 -15.4145 GPRESSURE: 2743800 124.957 196.576 103.707 179.323 -108.872 15.9382 -20.769 4.26094 10.1885 PRESSAVG: 2743800 -22.3625 -49.2855 14.8937 -49.2855 -20.5436 36.54 14.8937 36.54 49.1488 GPRESSAVG: 2743800 -21.6381 -46.3125 16.9053 -50.4716 -21.2385 36.0712 13.565 35.9127 49.2336 TIMING: 2743800 CPU: 7962.05, 0.0028779/step Wall: 7962.05, 0.0028779/step, 1.80365 hours remaining, 206.140625 MB of memory in use. ENERGY: 2743800 718.9659 2031.9057 1957.1825 112.9140 -206365.2339 17789.1541 0.0000 0.0000 34264.3493 -149490.7624 299.2391 -183755.1117 -149391.6521 298.9469 -23.5103 8.7578 556906.0097 2.0809 2.1190 PRESSURE: 2744000 -0.348409 28.8425 -22.5881 28.8418 55.7264 -23.9836 -22.5884 -23.9833 -174.732 GPRESSURE: 2744000 32.4413 36.0447 -94.8147 -42.3865 91.6048 6.95672 -10.4514 -102.973 -148.394 PRESSAVG: 2744000 5.05542 -20.0669 23.2659 -20.0669 14.8897 -26.1908 23.266 -26.1908 -6.87287 GPRESSAVG: 2744000 5.11323 -20.5089 19.7909 -21.5791 16.7085 -26.2874 24.7164 -23.4525 -8.58143 TIMING: 2744000 CPU: 7962.62, 0.00287448/step Wall: 7962.62, 0.00287448/step, 1.80134 hours remaining, 206.140625 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: 2744000 753.5052 2036.2825 1946.6146 114.6568 -206292.1169 17884.6053 0.0000 0.0000 34265.8049 -149290.6476 299.2518 -183556.4525 -149193.2923 298.2357 -39.7848 -8.1159 557733.9756 4.3574 4.4134 PRESSURE: 2744200 -58.1811 -14.8304 99.5913 -14.8307 -316.425 55.6458 99.5921 55.6458 114.484 GPRESSURE: 2744200 -14.4189 -52.9769 87.7915 -1.56337 -309.774 74.0476 47.0619 53.751 162.474 PRESSAVG: 2744200 18.3616 22.7403 -17.9534 22.7403 -21.0285 10.7466 -17.9534 10.7466 21.0114 GPRESSAVG: 2744200 18.2464 23.8606 -16.8265 23.4879 -20.5823 10.6197 -15.5491 10.7805 21.1403 TIMING: 2744200 CPU: 7963.2, 0.00289139/step Wall: 7963.2, 0.00289139/step, 1.81177 hours remaining, 206.140625 MB of memory in use. ENERGY: 2744200 723.5420 2048.6081 1948.4226 108.4908 -206354.7540 17874.6613 0.0000 0.0000 34320.7303 -149330.2989 299.7315 -183651.0292 -149232.4387 299.2792 -86.7075 -53.9065 557352.4432 6.1148 6.2681 LDB: ============= START OF LOAD BALANCING ============== 7966.67 LDB: ============== END OF LOAD BALANCING =============== 7966.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7966.67 LDB: ============= START OF LOAD BALANCING ============== 7966.96 LDB: Largest compute 4821 load 0.033620 is 28.6% of average load 0.117664 LDB: Average compute 0.001735 is 1.5% of average load 0.117664 LDB: TIME 7966.96 LOAD: AVG 0.117664 MAX 0.177078 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 7966.96 LOAD: AVG 0.117664 MAX 0.177078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: TIME 7966.96 LOAD: AVG 0.117664 MAX 0.177078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: ============== END OF LOAD BALANCING =============== 7966.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7966.97 PRESSURE: 2744400 -252.744 -84.928 -210.801 -84.929 50.0773 -18.3903 -210.8 -18.3909 -147.708 GPRESSURE: 2744400 -254.324 -14.0594 -195.636 -116.429 127.146 40.8089 -179.368 -90.8046 -123.594 PRESSAVG: 2744400 45.6035 56.0551 17.9952 56.0552 -4.07539 7.02938 17.9951 7.02923 28.2305 GPRESSAVG: 2744400 45.6351 54.7019 17.2447 57.8513 -5.04792 6.07489 15.3688 6.04953 28.925 TIMING: 2744400 CPU: 7963.79, 0.0029379/step Wall: 7963.79, 0.0029379/step, 1.84076 hours remaining, 209.023438 MB of memory in use. ENERGY: 2744400 714.8356 2141.9016 1946.7407 116.5670 -205718.8524 17466.0990 0.0000 0.0000 34195.4788 -149137.2299 298.6376 -183332.7087 -149046.9224 299.8264 -116.7916 -83.5906 557773.4770 23.2529 23.1707 PRESSURE: 2744600 -58.8481 -25.5264 112.027 -25.5268 -164.056 -34.1487 112.029 -34.1476 31.5835 GPRESSURE: 2744600 -19.0327 17.3047 4.06567 -9.23479 -125.097 -3.10077 112.822 -31.625 42.4469 PRESSAVG: 2744600 -14.4346 21.7212 56.5902 21.7212 13.3672 31.1185 56.5901 31.1185 -7.41391 GPRESSAVG: 2744600 -15.1024 23.1334 57.5661 21.8015 13.341 33.3437 57.4163 29.9181 -7.16421 TIMING: 2744600 CPU: 7964.37, 0.00291195/step Wall: 7964.37, 0.00291195/step, 1.82434 hours remaining, 209.023438 MB of memory in use. ENERGY: 2744600 778.5046 2074.2403 1939.6371 109.9872 -206247.4171 17760.1506 0.0000 0.0000 34326.0033 -149258.8939 299.7775 -183584.8973 -149161.1685 299.1785 -63.7736 -33.8943 557353.0283 -2.8271 -2.9752 PRESSURE: 2744800 227.071 -89.6939 134.245 -89.6947 -57.2176 -100.768 134.243 -100.768 71.8212 GPRESSURE: 2744800 225.009 -85.7292 80.1393 -68.8071 18.488 -89.066 220.579 -105.755 98.5081 PRESSAVG: 2744800 17.0642 26.0815 37.8119 26.0815 -65.5055 -0.394077 37.8119 -0.394041 49.9593 GPRESSAVG: 2744800 15.4162 25.4018 38.4197 26.4051 -64.9707 -0.72855 36.4843 -0.913447 51.1493 TIMING: 2744800 CPU: 7964.96, 0.00291775/step Wall: 7964.96, 0.00291775/step, 1.82781 hours remaining, 209.023438 MB of memory in use. ENERGY: 2744800 746.5892 2091.1613 1965.3967 114.2148 -206465.2561 17849.0634 0.0000 0.0000 34361.9042 -149336.9266 300.0911 -183698.8308 -149234.2992 299.5762 80.5582 114.0018 556557.5661 0.5060 0.5316 PRESSURE: 2745000 -155.728 -79.4931 -52.7509 -79.4924 -36.2441 40.797 -52.7511 40.7975 -147.766 GPRESSURE: 2745000 -176.095 -66.2721 -34.9837 -120.767 47.9072 91.5297 -45.8361 43.0032 -105.867 PRESSAVG: 2745000 18.7517 20.1258 -4.87719 20.1259 -0.739636 -50.12 -4.87709 -50.1199 12.7027 GPRESSAVG: 2745000 20.4592 20.9085 -6.08022 20.0676 -0.944355 -50.6925 -3.54057 -47.8191 11.1727 TIMING: 2745000 CPU: 7965.54, 0.00293444/step Wall: 7965.54, 0.00293444/step, 1.8381 hours remaining, 209.023438 MB of memory in use. ENERGY: 2745000 744.2855 2141.9579 1976.0214 108.2442 -206220.2597 17732.0456 0.0000 0.0000 34223.2056 -149294.4995 298.8798 -183517.7051 -149197.0774 299.0832 -113.2458 -78.0184 559016.8381 10.2383 10.2292 PRESSURE: 2745200 -405.734 -178.184 130.635 -178.184 57.3997 149.724 130.634 149.724 -67.6066 GPRESSURE: 2745200 -287.214 -276.268 135.185 -139.874 49.2529 136.316 101.058 149.067 -75.5679 PRESSAVG: 2745200 16.6873 -42.017 20.2767 -42.0171 24.8223 25.4364 20.2766 25.4363 -47.7392 GPRESSAVG: 2745200 16.3571 -42.2968 20.66 -43.3488 25.189 24.759 19.9548 24.417 -47.3765 TIMING: 2745200 CPU: 7966.12, 0.00291216/step Wall: 7966.12, 0.00291216/step, 1.82398 hours remaining, 209.023438 MB of memory in use. ENERGY: 2745200 781.1073 2071.6945 1975.0139 121.6849 -206807.3573 18018.0990 0.0000 0.0000 34539.8698 -149299.8880 301.6453 -183839.7578 -149200.8640 299.4378 -138.6469 -104.5096 558992.7142 -2.0765 -1.9435 PRESSURE: 2745400 -287.083 -52.6779 -34.4427 -52.6787 -155.377 150.766 -34.4422 150.765 78.8834 GPRESSURE: 2745400 -224.035 -16.2175 45.2244 76.8198 -143.134 193.941 -50.9122 84.0952 93.8515 PRESSAVG: 2745400 55.7708 -33.1399 13.1208 -33.1399 -47.4089 39.797 13.1208 39.7969 15.4558 GPRESSAVG: 2745400 54.6858 -32.8041 11.7577 -31.7965 -48.7499 41.3799 15.0345 38.8211 17.7067 TIMING: 2745400 CPU: 7966.71, 0.00290782/step Wall: 7966.71, 0.00290782/step, 1.8211 hours remaining, 209.023438 MB of memory in use. ENERGY: 2745400 708.2856 2127.7078 1960.2440 114.7506 -205983.9904 17684.5420 0.0000 0.0000 34323.7122 -149064.7481 299.7575 -183388.4603 -148967.1813 299.5454 -121.1922 -91.1058 558779.9421 7.9392 7.8809 PRESSURE: 2745600 80.1601 -52.1217 128.9 -52.1215 -152.581 -83.0492 128.9 -83.0497 30.8779 GPRESSURE: 2745600 78.7545 -198.073 201.796 -85.4091 -115.206 -69.889 111.7 -90.5266 85.0378 PRESSAVG: 2745600 -6.8964 -13.3653 -24.2362 -13.3653 -9.19118 -14.7828 -24.2363 -14.7828 -11.8192 GPRESSAVG: 2745600 -4.97298 -13.4755 -20.8586 -14.4376 -9.19489 -16.944 -27.8709 -14.5434 -14.4031 TIMING: 2745600 CPU: 7967.28, 0.00288295/step Wall: 7967.28, 0.00288295/step, 1.80537 hours remaining, 209.023438 MB of memory in use. ENERGY: 2745600 758.6682 2117.1799 1948.8833 108.8732 -206301.9217 17920.2741 0.0000 0.0000 34373.2830 -149074.7602 300.1904 -183448.0431 -148983.9816 299.6173 -13.8477 16.1953 558167.4145 -9.3023 -9.5236 PRESSURE: 2745800 278.354 56.7856 -20.0555 56.7857 -85.24 -76.9155 -20.056 -76.9153 194.605 GPRESSURE: 2745800 331.439 -33.7768 8.17164 43.1992 -71.8895 24.3007 -23.9194 -115.083 228.795 PRESSAVG: 2745800 19.0276 11.7236 0.698334 11.7235 -5.28289 -11.5163 0.698229 -11.5163 -11.762 GPRESSAVG: 2745800 19.1944 12.044 -0.385295 10.8769 -5.19371 -10.9621 3.39305 -11.664 -11.8883 TIMING: 2745800 CPU: 7967.87, 0.00292347/step Wall: 7967.87, 0.00292347/step, 1.83058 hours remaining, 209.023438 MB of memory in use. ENERGY: 2745800 748.3290 2098.1869 1970.2278 122.6456 -206243.5658 17994.6936 0.0000 0.0000 34329.1272 -148980.3558 299.8048 -183309.4829 -148887.5983 299.8554 129.2397 162.7814 557346.4082 0.6609 0.7041 PRESSURE: 2746000 -182.987 -129.736 118.555 -129.736 169.287 21.7915 118.556 21.7911 94.9542 GPRESSURE: 2746000 -114.363 -85.7187 164.523 -131.837 171.739 -32.7956 165.505 36.7778 125.483 PRESSAVG: 2746000 52.9968 12.7721 38.72 12.7721 -42.8243 33.0293 38.72 33.0294 -21.8423 GPRESSAVG: 2746000 51.4612 12.7492 39.8784 14.7288 -42.1539 33.8539 36.7226 33.1769 -20.4227 TIMING: 2746000 CPU: 7968.45, 0.00288765/step Wall: 7968.45, 0.00288765/step, 1.80799 hours remaining, 209.023438 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: 2746000 748.1703 2133.1884 1935.9232 111.8371 -206352.7557 17941.9492 0.0000 0.0000 34509.2458 -148972.4416 301.3778 -183481.6874 -148878.0428 300.1008 27.0849 60.9530 556784.5574 -3.8899 -3.7051 PRESSURE: 2746200 -66.942 -37.0903 72.8087 -37.0917 -19.3445 -251.14 72.8081 -251.14 0.250946 GPRESSURE: 2746200 -46.5883 3.3409 127.071 -34.8739 -25.4165 -217.843 61.4541 -259.962 89.8862 PRESSAVG: 2746200 -22.5662 -52.1777 21.3994 -52.1778 -33.7353 -1.52752 21.3994 -1.52753 85.7498 GPRESSAVG: 2746200 -20.7817 -51.5417 22.093 -52.8969 -34.2071 -1.28485 21.8649 -2.34691 83.7698 TIMING: 2746200 CPU: 7969.02, 0.00288437/step Wall: 7969.02, 0.00288437/step, 1.80578 hours remaining, 209.023438 MB of memory in use. ENERGY: 2746200 750.0450 2128.1429 1925.7171 110.8478 -206314.4982 17871.3488 0.0000 0.0000 34304.4712 -149223.9254 299.5895 -183528.3966 -149125.3437 298.8853 -28.6785 5.9605 557837.7849 9.8161 9.5936 PRESSURE: 2746400 200.494 -188.098 75.4902 -188.097 240.646 -122.368 75.4913 -122.366 27.288 GPRESSURE: 2746400 152.592 -226.337 7.68076 -165.533 307.129 -35.0359 165.397 -186.221 108.403 PRESSAVG: 2746400 6.38182 -12.1756 52.05 -12.1756 -37.327 -36.8163 52.05 -36.8163 49.8693 GPRESSAVG: 2746400 3.97652 -15.4649 49.6897 -11.2946 -38.3885 -38.4942 52.1646 -35.0863 53.0885 TIMING: 2746400 CPU: 7969.6, 0.00288384/step Wall: 7969.6, 0.00288384/step, 1.80528 hours remaining, 209.023438 MB of memory in use. ENERGY: 2746400 720.1660 2071.9191 1940.8658 118.8547 -206664.3529 18201.8029 0.0000 0.0000 34242.1522 -149368.5923 299.0452 -183610.7445 -149277.3044 298.6633 156.1426 189.3745 557070.5167 6.3080 6.2255 PRESSURE: 2746600 -190.188 108.996 -107.807 108.997 -237.752 -64.1427 -107.807 -64.1409 22.0481 GPRESSURE: 2746600 -209.49 176.771 -93.3885 87.0401 -140.674 -57.1571 -157.401 -86.5042 33.6779 PRESSAVG: 2746600 28.2942 -58.3552 -20.4854 -58.3552 -13.3679 -23.184 -20.4853 -23.1841 -14.9476 GPRESSAVG: 2746600 29.8923 -55.4073 -19.4819 -60.5455 -13.1084 -21.7875 -20.3094 -25.0272 -16.8421 TIMING: 2746600 CPU: 7970.18, 0.00290044/step Wall: 7970.18, 0.00290044/step, 1.81552 hours remaining, 209.023438 MB of memory in use. ENERGY: 2746600 751.2235 2081.0791 1946.5495 110.8924 -205768.4801 17539.9236 0.0000 0.0000 34082.3806 -149256.4313 297.6499 -183338.8119 -149157.2508 297.7917 -135.2972 -105.4953 557119.4776 -0.0071 -0.0194 PRESSURE: 2746800 -88.1869 -212.867 111.156 -212.868 79.4504 -11.8725 111.155 -11.8711 62.8849 GPRESSURE: 2746800 -43.1171 -173.254 0.765728 -230.28 177.871 -80.4846 130.846 10.3263 32.17 PRESSAVG: 2746800 -15.11 -59.7372 11.2352 -59.7373 1.27788 9.97078 11.2352 9.97068 -55.1169 GPRESSAVG: 2746800 -15.097 -59.7514 9.70874 -59.4978 1.64801 9.28332 11.1005 9.99257 -54.8814 TIMING: 2746800 CPU: 7970.76, 0.0029/step Wall: 7970.76, 0.0029/step, 1.81508 hours remaining, 209.023438 MB of memory in use. ENERGY: 2746800 737.1692 2112.5787 1951.9883 114.0846 -205986.0232 17785.6942 0.0000 0.0000 34030.4293 -149254.0788 297.1962 -183284.5081 -149163.2385 298.1897 18.0495 55.6413 557881.4744 -22.9830 -22.7768 PRESSURE: 2747000 -146.637 69.0294 85.6858 69.0298 -109.751 132.451 85.6869 132.45 2.62124 GPRESSURE: 2747000 -104.119 94.636 89.7846 107.858 -135.96 132.466 54.7047 128.045 73.6389 PRESSAVG: 2747000 8.7889 -49.7196 -8.17305 -49.7196 -61.1076 -18.4938 -8.173 -18.4938 33.8157 GPRESSAVG: 2747000 8.34095 -49.9874 -7.1777 -49.0162 -61.5277 -19.7649 -7.91189 -18.1977 34.2548 TIMING: 2747000 CPU: 7971.34, 0.0029069/step Wall: 7971.34, 0.0029069/step, 1.81923 hours remaining, 209.023438 MB of memory in use. ENERGY: 2747000 766.5862 2117.8104 1968.5709 109.8744 -206025.8183 17670.0948 0.0000 0.0000 34272.3295 -149120.5522 299.3088 -183392.8817 -149029.3904 299.2398 -84.5890 -55.4799 557347.1100 -6.1677 -6.3107 PRESSURE: 2747200 93.7986 -16.0765 -126.495 -16.0758 59.7608 -142.863 -126.496 -142.864 5.69667 GPRESSURE: 2747200 177.996 -60.6693 -110.639 42.7658 108.609 -115.811 -25.1729 -91.3319 -36.933 PRESSAVG: 2747200 -31.5628 44.8966 52.4265 44.8966 -23.2808 -24.3441 52.4264 -24.3442 33.3478 GPRESSAVG: 2747200 -31.5852 42.2729 51.5559 46.7247 -22.8069 -21.9589 53.6901 -24.6619 32.6695 TIMING: 2747200 CPU: 7971.92, 0.00290427/step Wall: 7971.92, 0.00290427/step, 1.81743 hours remaining, 209.023438 MB of memory in use. ENERGY: 2747200 762.0609 2169.7698 1940.1749 120.5232 -206557.3812 18025.8178 0.0000 0.0000 34277.2151 -149261.8196 299.3514 -183539.0346 -149170.6311 299.8782 53.0854 83.2240 556632.3694 -7.1653 -7.2409 PRESSURE: 2747400 309.168 35.7507 64.0636 35.752 -68.1218 -248.977 64.0636 -248.977 40.5823 GPRESSURE: 2747400 300.676 28.0738 21.2938 5.73761 -8.83881 -236.039 27.766 -175.737 78.6715 PRESSAVG: 2747400 -0.820418 83.5889 -12.6478 83.589 42.1542 -71.6244 -12.6478 -71.6244 -29.8765 GPRESSAVG: 2747400 -1.261 84.9653 -12.4159 83.0785 40.9309 -72.0255 -13.209 -71.706 -28.4316 TIMING: 2747400 CPU: 7972.5, 0.002894/step Wall: 7972.5, 0.002894/step, 1.81084 hours remaining, 209.023438 MB of memory in use. ENERGY: 2747400 760.1343 2146.4241 1963.8507 123.7586 -206264.1669 17912.2696 0.0000 0.0000 34260.9268 -149096.8029 299.2092 -183357.7297 -149011.8545 299.5264 93.8763 123.5028 556623.4055 3.8191 3.7461 PRESSURE: 2747600 -204.536 -122.035 53.9534 -122.035 180.506 -46.7865 53.9527 -46.7868 87.192 GPRESSURE: 2747600 -160.885 -133.208 2.29574 -99.4333 210.15 -10.3463 15.8948 -82.7172 98.2132 PRESSAVG: 2747600 -43.1727 22.4017 27.0908 22.4016 62.7591 -15.8897 27.0907 -15.8897 -16.4357 GPRESSAVG: 2747600 -42.6322 24.8084 25.7755 22.8439 62.578 -16.9263 24.488 -15.7991 -16.5195 TIMING: 2747600 CPU: 7973.08, 0.00289458/step Wall: 7973.08, 0.00289458/step, 1.81104 hours remaining, 209.023438 MB of memory in use. ENERGY: 2747600 745.8343 2054.6225 1941.5730 104.0314 -206175.6185 17880.6931 0.0000 0.0000 34281.1032 -149167.7611 299.3854 -183448.8643 -149062.4585 299.5512 21.0537 49.1593 557512.7855 1.0503 1.1421 PRESSURE: 2747800 -80.2103 131.313 -98.3245 131.313 -48.9356 74.9366 -98.3245 74.9371 -128.694 GPRESSURE: 2747800 -10.6226 165.364 -109.996 172.397 0.654532 46.1237 -24.9187 33.587 -149.211 PRESSAVG: 2747800 -39.0432 31.4525 16.4696 31.4524 -37.9822 -77.2665 16.4696 -77.2666 95.4254 GPRESSAVG: 2747800 -38.8678 31.2867 18.7753 28.925 -36.9713 -75.5922 18.834 -76.9426 93.5281 TIMING: 2747800 CPU: 7973.66, 0.00290493/step Wall: 7973.66, 0.00290493/step, 1.81736 hours remaining, 209.023438 MB of memory in use. ENERGY: 2747800 765.9152 2070.8220 1952.5934 104.2935 -206305.2232 17829.0009 0.0000 0.0000 34350.5485 -149232.0498 299.9919 -183582.5983 -149134.4718 299.7771 -85.9466 -53.0598 557388.1851 6.1333 5.8963 PRESSURE: 2748000 224.746 -199.898 -88.1769 -199.899 15.0981 3.8623 -88.1771 3.86213 -186.412 GPRESSURE: 2748000 225.891 -223.233 -72.3196 -246.014 46.9692 -10.157 -47.1056 -30.396 -124.126 PRESSAVG: 2748000 -55.3769 7.35869 2.34626 7.35866 44.0374 11.4968 2.34627 11.4968 -10.2605 GPRESSAVG: 2748000 -55.1377 6.00899 2.19228 8.06135 43.116 10.9138 2.75896 11.7591 -9.72738 TIMING: 2748000 CPU: 7974.24, 0.002901/step Wall: 7974.24, 0.002901/step, 1.81474 hours remaining, 209.023438 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: 2748000 738.0275 2139.3398 1962.6956 120.0286 -206415.6348 17754.7544 0.0000 0.0000 34344.8592 -149355.9298 299.9422 -183700.7890 -149259.3565 299.4389 17.8104 49.5780 555751.9349 -7.2000 -7.2497 PRESSURE: 2748200 -99.166 112.091 39.6978 112.091 -140.319 -3.55763 39.6978 -3.55708 45.8233 GPRESSURE: 2748200 -1.72249 109.523 2.85286 78.7502 -135.883 39.2648 3.49107 22.6124 22.3651 PRESSAVG: 2748200 -28.1063 -25.2045 21.8169 -25.2045 19.8724 58.9755 21.817 58.9757 -14.6623 GPRESSAVG: 2748200 -27.4605 -26.0553 23.2086 -22.7779 20.1552 59.4284 19.6024 59.8753 -16.0489 TIMING: 2748200 CPU: 7974.82, 0.00290524/step Wall: 7974.82, 0.00290524/step, 1.81723 hours remaining, 209.023438 MB of memory in use. ENERGY: 2748200 754.9097 2128.4743 1930.4128 120.2010 -206065.6498 17572.9062 0.0000 0.0000 34173.7522 -149384.9935 298.4479 -183558.7457 -149288.4062 298.9309 -64.5539 -38.4134 556759.8774 -7.6321 -7.7848 LDB: ============= START OF LOAD BALANCING ============== 7978.28 LDB: ============== END OF LOAD BALANCING =============== 7978.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7978.29 LDB: ============= START OF LOAD BALANCING ============== 7978.57 LDB: Largest compute 4821 load 0.033220 is 28.2% of average load 0.117770 LDB: Average compute 0.001727 is 1.5% of average load 0.117770 LDB: TIME 7978.58 LOAD: AVG 0.11777 MAX 0.176442 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 7978.58 LOAD: AVG 0.11777 MAX 0.176442 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: TIME 7978.58 LOAD: AVG 0.11777 MAX 0.176442 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.633 MB LDB: ============== END OF LOAD BALANCING =============== 7978.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7978.58 PRESSURE: 2748400 125.161 -95.9257 90.7078 -95.926 100.969 63.2495 90.7072 63.2501 -32.4233 GPRESSURE: 2748400 139.003 -44.4761 111.791 -110.437 159.771 -6.82463 113.053 55.3962 -0.880171 PRESSAVG: 2748400 13.998 -75.9703 11.8658 -75.9701 35.8664 13.6634 11.8657 13.6633 -9.45054 GPRESSAVG: 2748400 13.1743 -75.4885 9.78703 -77.0139 35.7922 11.4302 14.2324 14.1664 -7.82568 TIMING: 2748400 CPU: 7975.41, 0.00292939/step Wall: 7975.41, 0.00292939/step, 1.83217 hours remaining, 206.968750 MB of memory in use. ENERGY: 2748400 725.6992 2110.8418 1963.3693 112.6791 -206645.5656 18108.4542 0.0000 0.0000 34191.6929 -149432.8292 298.6046 -183624.5221 -149337.1559 299.0865 64.5689 99.2980 558552.1911 13.4713 13.7136 PRESSURE: 2748600 249.849 38.1495 4.25247 38.15 234.04 132.77 4.25195 132.772 -163.547 GPRESSURE: 2748600 256.469 13.5416 -54.628 16.7207 239.695 183.397 2.24898 54.0352 -73.4538 PRESSAVG: 2748600 -19.8339 -44.8319 35.3072 -44.8319 97.0173 6.20185 35.3072 6.20182 -53.25 GPRESSAVG: 2748600 -20.9727 -45.2127 36.0742 -46.4485 98.322 6.11302 34.0439 5.90958 -53.4632 TIMING: 2748600 CPU: 7975.99, 0.00289145/step Wall: 7975.99, 0.00289145/step, 1.80828 hours remaining, 207.039062 MB of memory in use. ENERGY: 2748600 727.0837 2053.6629 1956.3846 97.4607 -206525.8388 18030.7791 0.0000 0.0000 34318.6699 -149341.7978 299.7135 -183660.4678 -149242.8390 298.3926 106.7807 140.9034 557803.8147 7.9778 7.9620 PRESSURE: 2748800 -121.91 2.90326 -91.2075 2.90353 -49.5689 -116.652 -91.2062 -116.653 -186.516 GPRESSURE: 2748800 -55.0918 18.9976 -58.2284 -16.7991 -19.0193 -158.801 -58.6074 -139.193 -184.277 PRESSAVG: 2748800 90.3863 26.151 -5.38381 26.151 -60.005 -73.7433 -5.38378 -73.7433 -1.19303 GPRESSAVG: 2748800 90.4392 26.6055 -4.28803 25.0557 -61.4317 -70.9643 -6.01623 -75.4326 -0.020163 TIMING: 2748800 CPU: 7976.56, 0.00289227/step Wall: 7976.56, 0.00289227/step, 1.80863 hours remaining, 207.039062 MB of memory in use. ENERGY: 2748800 694.3700 2120.8668 1955.0933 96.7072 -205604.1428 17554.7004 0.0000 0.0000 33888.6933 -149293.7118 295.9584 -183182.4051 -149196.0393 298.4744 -119.3318 -86.1295 560197.2743 9.7294 9.6624 PRESSURE: 2749000 186.009 -61.4303 42.4688 -61.4306 295.782 -63.9473 42.4687 -63.9484 160.101 GPRESSURE: 2749000 208.301 -91.2362 58.622 -50.0876 274.433 17.655 92.9002 -106.737 241.692 PRESSAVG: 2749000 17.5162 29.5649 9.25017 29.5649 -67.3283 0.691021 9.25022 0.690989 13.1456 GPRESSAVG: 2749000 17.0392 29.2038 9.00862 32.7492 -66.5279 -1.20143 10.6551 3.6078 12.9391 TIMING: 2749000 CPU: 7977.15, 0.00291507/step Wall: 7977.15, 0.00291507/step, 1.82273 hours remaining, 207.039062 MB of memory in use. ENERGY: 2749000 718.2001 2093.8176 1974.4178 120.8143 -206677.1504 18260.6097 0.0000 0.0000 34299.5068 -149209.7841 299.5461 -183509.2909 -149117.3121 298.3861 213.9641 241.4753 557342.8647 -12.2222 -12.1832 PRESSURE: 2749200 30.0726 69.1237 80.6592 69.1253 -181.718 21.1025 80.6589 21.1032 63.1968 GPRESSURE: 2749200 70.8617 -97.8999 14.4517 55.0095 -164.693 41.6057 80.2307 69.693 110.592 PRESSAVG: 2749200 19.4587 -16.2762 -35.5717 -16.2761 10.027 -36.1851 -35.5717 -36.1851 5.14064 GPRESSAVG: 2749200 20.2554 -15.3276 -35.7665 -17.8615 9.94511 -35.912 -36.0976 -37.8182 4.87903 TIMING: 2749200 CPU: 7977.72, 0.00288021/step Wall: 7977.72, 0.00288021/step, 1.80077 hours remaining, 207.296875 MB of memory in use. ENERGY: 2749200 742.6947 2042.8698 1965.4268 116.3839 -206322.6836 17919.3493 0.0000 0.0000 34409.7641 -149126.1950 300.5090 -183535.9591 -149031.3329 299.2869 -29.4828 5.5869 559239.7010 11.5421 11.6932 PRESSURE: 2749400 50.3923 -68.085 -58.3725 -68.0842 126.332 -86.9559 -58.3736 -86.9536 293.434 GPRESSURE: 2749400 56.1183 -166.656 0.750391 42.5274 127.869 -134.29 -107.857 -73.888 374.011 PRESSAVG: 2749400 -24.7734 -82.6827 -59.2713 -82.6827 8.05 -14.9783 -59.2713 -14.9783 23.4436 GPRESSAVG: 2749400 -23.9772 -84.5614 -58.4457 -81.4081 8.17455 -13.5836 -61.0761 -15.0478 22.7665 TIMING: 2749400 CPU: 7978.3, 0.00290449/step Wall: 7978.3, 0.00290449/step, 1.81579 hours remaining, 207.296875 MB of memory in use. ENERGY: 2749400 721.0292 2102.7631 1974.4709 112.7839 -206410.3078 17972.8050 0.0000 0.0000 34353.0044 -149173.4513 300.0133 -183526.4557 -149076.6088 299.2452 156.7195 185.9994 557568.1752 2.2401 2.3213 PRESSURE: 2749600 299.288 -45.0115 -109.066 -45.0111 18.1559 -29.1428 -109.066 -29.1422 38.5581 GPRESSURE: 2749600 256.978 -62.0844 -125.041 66.914 37.0312 -36.3405 -113.19 -49.8639 161.315 PRESSAVG: 2749600 -29.0595 6.76591 2.52305 6.76605 14.6068 -39.0834 2.52307 -39.0833 19.0977 GPRESSAVG: 2749600 -30.5943 6.32881 2.07729 6.27591 14.9137 -40.4754 3.40791 -39.4824 19.5824 TIMING: 2749600 CPU: 7978.88, 0.00289778/step Wall: 7978.88, 0.00289778/step, 1.81143 hours remaining, 207.296875 MB of memory in use. ENERGY: 2749600 760.5815 2061.5487 1976.5545 120.5087 -206386.0607 17974.6775 0.0000 0.0000 34151.0024 -149341.1874 298.2492 -183492.1898 -149248.5764 299.2767 118.6674 151.7746 557126.1289 1.5483 1.3006 PRESSURE: 2749800 -85.3239 -9.84117 -127.664 -9.84104 -29.6273 75.0939 -127.663 75.0936 -20.9414 GPRESSURE: 2749800 -57.0002 28.236 -83.5138 -87.1572 -57.5679 201.771 -41.9604 44.4087 74.1034 PRESSAVG: 2749800 -36.8367 69.6041 63.6195 69.604 -49.7406 74.0516 63.6195 74.0517 49.0327 GPRESSAVG: 2749800 -36.3253 70.821 64.1883 69.6111 -50.9833 74.3836 64.5259 72.749 49.8428 TIMING: 2749800 CPU: 7979.46, 0.00289209/step Wall: 7979.46, 0.00289209/step, 1.80771 hours remaining, 207.296875 MB of memory in use. ENERGY: 2749800 799.7206 2057.7207 1984.8984 114.8165 -206639.5646 17968.6155 0.0000 0.0000 34201.3531 -149512.4398 298.6889 -183713.7930 -149420.8900 298.5010 -45.2975 -13.4882 556745.4453 -12.5149 -12.4886 PRESSURE: 2750000 -28.2544 113.233 258.578 113.232 7.69457 -275.657 258.58 -275.657 127.355 GPRESSURE: 2750000 14.3824 69.9941 365.089 120.719 50.0774 -191.778 169.511 -263.152 142.255 PRESSAVG: 2750000 -55.5815 0.498856 -23.261 0.498885 6.82069 -5.31541 -23.2609 -5.31547 42.8793 GPRESSAVG: 2750000 -55.719 -2.15443 -25.6242 2.29134 7.25923 -4.54241 -25.4283 -2.87137 42.8145 TIMING: 2750000 CPU: 7980.04, 0.00288701/step Wall: 7980.04, 0.00288701/step, 1.80438 hours remaining, 207.296875 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: 2750000 737.0578 2093.0920 1988.0687 109.0855 -206286.5485 17777.3318 0.0000 0.0000 34119.2869 -149462.6259 297.9722 -183581.9127 -149368.3766 298.6783 35.5985 68.9051 556249.6795 -1.9605 -1.8818 PRESSURE: 2750200 -22.8052 -8.34414 8.16183 -8.34422 102.76 -90.1102 8.16092 -90.1103 -81.2245 GPRESSURE: 2750200 -12.2386 -29.6426 91.7365 -30.7897 116.343 -78.8488 6.19315 -89.824 -14.4943 PRESSAVG: 2750200 -53.5341 -25.6812 3.36224 -25.6813 8.84531 -26.3727 3.36214 -26.3728 19.571 GPRESSAVG: 2750200 -52.8858 -23.6943 5.99307 -27.0053 7.38286 -27.4228 4.98211 -27.8384 20.1256 TIMING: 2750200 CPU: 7980.62, 0.00291941/step Wall: 7980.62, 0.00291941/step, 1.82447 hours remaining, 207.296875 MB of memory in use. ENERGY: 2750200 722.4306 2022.7469 1972.9304 111.7391 -206384.6673 17699.5323 0.0000 0.0000 34532.1077 -149323.1803 301.5775 -183855.2880 -149219.9483 298.5564 -0.4232 29.8701 555223.5206 -8.3726 -8.4591 PRESSURE: 2750400 -107.009 108.359 14.5172 108.361 -114.962 185.187 14.5174 185.186 -123.699 GPRESSURE: 2750400 -65.6407 43.1397 -33.7698 146.578 -29.4896 165.941 46.6698 194.412 -147.928 PRESSAVG: 2750400 -1.33274 32.4451 36.0112 32.4451 -6.84097 -15.0569 36.0112 -15.0569 26.2519 GPRESSAVG: 2750400 -1.91812 33.1364 35.1133 32.5297 -5.02399 -16.2218 36.1003 -14.5338 24.6766 TIMING: 2750400 CPU: 7981.2, 0.00288656/step Wall: 7981.2, 0.00288656/step, 1.80378 hours remaining, 207.296875 MB of memory in use. ENERGY: 2750400 715.2563 2069.7383 1962.6652 102.9480 -205849.1444 17494.7865 0.0000 0.0000 34092.3553 -149411.3949 297.7370 -183503.7502 -149314.4605 298.2493 -115.2233 -81.0195 556548.9798 6.0261 5.9115 PRESSURE: 2750600 -196.63 -81.1131 -91.4821 -81.113 -141.771 -0.948017 -91.4819 -0.947909 -215.998 GPRESSURE: 2750600 -120.883 -62.946 -111.198 -79.5402 -138.146 68.3578 -74.5363 -56.5701 -196.201 PRESSAVG: 2750600 -24.3629 -8.20215 -10.2659 -8.20209 29.1691 34.5654 -10.2659 34.5654 -43.4526 GPRESSAVG: 2750600 -24.7851 -10.3679 -11.0302 -9.03728 28.9919 35.4357 -11.7893 35.5042 -43.4243 TIMING: 2750600 CPU: 7981.78, 0.0028998/step Wall: 7981.78, 0.0028998/step, 1.81189 hours remaining, 207.296875 MB of memory in use. ENERGY: 2750600 718.3358 2034.6942 1948.5902 107.4221 -205983.6914 17590.3467 0.0000 0.0000 34139.2911 -149445.0114 298.1469 -183584.3025 -149344.0367 298.4608 -184.7995 -151.7432 557853.4117 -12.8821 -13.0725 PRESSURE: 2750800 -46.4464 88.5395 -135.711 88.5389 2.23381 44.9649 -135.712 44.9644 -167.425 GPRESSURE: 2750800 -21.5929 106.832 -61.0122 89.0434 81.724 63.7853 -168.232 -44.5085 -169.427 PRESSAVG: 2750800 30.5655 -1.51832 -31.0218 -1.51832 -66.2355 -8.965 -31.0217 -8.965 10.6253 GPRESSAVG: 2750800 30.4288 -1.2514 -31.6201 -0.883445 -65.8688 -9.09989 -29.1354 -10.9253 9.84457 TIMING: 2750800 CPU: 7982.36, 0.00289891/step Wall: 7982.36, 0.00289891/step, 1.81118 hours remaining, 207.296875 MB of memory in use. ENERGY: 2750800 744.3574 2023.2269 1970.5259 111.2252 -206017.8445 17705.0756 0.0000 0.0000 33921.6501 -149541.7834 296.2462 -183463.4335 -149453.8134 297.8348 -70.5459 -36.4320 557967.3712 -8.3482 -8.5318 PRESSURE: 2751000 18.1939 43.9355 59.5987 43.936 76.0241 156.545 59.5981 156.542 -49.726 GPRESSURE: 2751000 25.4772 118.462 105.134 19.295 128.954 215.524 84.1951 198.883 -3.47084 PRESSAVG: 2751000 33.917 29.0103 -48.3132 29.0102 21.1105 21.0193 -48.3131 21.0192 -88.7287 GPRESSAVG: 2751000 33.6124 28.391 -48.5548 29.0292 20.4749 23.73 -47.6603 20.5395 -87.6252 TIMING: 2751000 CPU: 7982.94, 0.00290316/step Wall: 7982.94, 0.00290316/step, 1.81367 hours remaining, 207.296875 MB of memory in use. ENERGY: 2751000 741.9991 2045.5086 1951.7204 109.6292 -206376.8470 18001.9176 0.0000 0.0000 34099.8144 -149426.2577 297.8022 -183526.0721 -149331.9751 297.8905 14.8307 50.3200 559138.4007 -11.2338 -11.1793 PRESSURE: 2751200 22.6461 134.882 90.1062 134.882 156.094 57.4122 90.1067 57.4127 144.384 GPRESSURE: 2751200 11.4782 118.966 123.268 87.5007 214.823 61.057 62.6092 73.4427 198.722 PRESSAVG: 2751200 22.7969 24.9037 34.4 24.9037 9.21804 2.7366 34.3999 2.73665 10.8744 GPRESSAVG: 2751200 22.9718 24.9365 36.0331 26.6808 8.79684 0.95649 32.9295 5.28737 11.5598 TIMING: 2751200 CPU: 7983.52, 0.00289445/step Wall: 7983.52, 0.00289445/step, 1.80806 hours remaining, 207.296875 MB of memory in use. ENERGY: 2751200 741.2596 2063.2338 1978.8337 114.4797 -206494.3013 18066.5383 0.0000 0.0000 33988.4165 -149541.5396 296.8293 -183529.9561 -149444.9538 298.0499 107.7080 141.6744 557027.0811 14.2965 14.4428 PRESSURE: 2751400 -217.039 -27.2211 -37.6417 -27.2218 -12.2506 52.0255 -37.6413 52.0244 58.1601 GPRESSURE: 2751400 -149.512 31.4218 46.9647 -76.3256 17.3592 -2.99499 -84.373 68.7262 61.4191 PRESSAVG: 2751400 -34.3971 -8.9426 -6.12 -8.94265 -5.94506 -8.19048 -6.12 -8.1906 12.8905 GPRESSAVG: 2751400 -35.1212 -8.3967 -7.27946 -10.5798 -5.9403 -7.1158 -5.18338 -9.66576 13.1727 TIMING: 2751400 CPU: 7984.1, 0.00289893/step Wall: 7984.1, 0.00289893/step, 1.8107 hours remaining, 207.296875 MB of memory in use. ENERGY: 2751400 735.5608 2054.0075 1984.6345 111.4860 -206268.9105 17849.9399 0.0000 0.0000 34058.2149 -149475.0669 297.4389 -183533.2818 -149378.8514 297.9294 -57.0430 -23.5780 557733.3309 -9.1506 -9.2963 PRESSURE: 2751600 61.3773 61.6651 28.072 61.6645 -131.459 -148.749 28.0718 -148.751 -76.7626 GPRESSURE: 2751600 108.383 123.424 -41.1843 53.3004 -58.9158 -133.863 104.319 -99.6741 -93.7263 PRESSAVG: 2751600 -8.19925 -10.1437 63.1559 -10.1436 48.5849 14.9532 63.1561 14.9531 -13.0944 GPRESSAVG: 2751600 -6.5197 -8.94983 63.5805 -9.45064 47.6639 13.1443 61.742 15.647 -13.9389 TIMING: 2751600 CPU: 7984.68, 0.00288788/step Wall: 7984.68, 0.00288788/step, 1.80364 hours remaining, 207.433594 MB of memory in use. ENERGY: 2751600 718.7336 2083.8011 1924.2334 120.3091 -206243.6279 17718.3133 0.0000 0.0000 34171.1355 -149507.1019 298.4250 -183678.2374 -149408.0540 297.5240 -48.9480 -14.7530 557035.5111 9.0971 9.0684 PRESSURE: 2751800 193.461 9.67658 -44.7007 9.67735 -27.334 57.9902 -44.7005 57.9907 -79.0354 GPRESSURE: 2751800 166.084 35.2861 -96.7133 -30.1327 112.912 61.7508 -55.2237 63.8278 -98.2048 PRESSAVG: 2751800 18.959 -37.2761 29.8616 -37.276 44.2844 -12.439 29.8615 -12.439 -21.1649 GPRESSAVG: 2751800 18.5901 -38.0889 27.2746 -36.8654 44.0223 -11.5582 30.6332 -12.473 -20.9465 TIMING: 2751800 CPU: 7985.25, 0.00288352/step Wall: 7985.25, 0.00288352/step, 1.80076 hours remaining, 207.433594 MB of memory in use. ENERGY: 2751800 732.0272 2097.2051 1945.0229 126.4539 -206653.3332 17937.7716 0.0000 0.0000 34360.3987 -149454.4538 300.0779 -183814.8525 -149356.5267 298.3333 29.0304 60.2636 555456.0285 14.0261 13.8886 PRESSURE: 2752000 53.0808 95.4816 -164.346 95.4808 -43.5411 -6.43884 -164.348 -6.4375 -128.818 GPRESSURE: 2752000 115.403 72.1033 -78.2929 172.345 -48.7819 11.0761 -139.03 -7.73426 -82.9467 PRESSAVG: 2752000 4.44219 -61.621 -26.0276 -61.6208 19.3551 34.4047 -26.0275 34.4048 -35.0751 GPRESSAVG: 2752000 3.14915 -61.4679 -22.7593 -62.2326 20.837 34.8962 -25.6253 34.7742 -35.1858 TIMING: 2752000 CPU: 7985.83, 0.00288989/step Wall: 7985.83, 0.00288989/step, 1.80457 hours remaining, 207.433594 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: 2752000 719.7220 2111.0256 1940.7160 107.4996 -206446.7432 17877.0565 0.0000 0.0000 34286.3065 -149404.4170 299.4308 -183690.7236 -149308.2602 298.6413 -39.7593 -5.4418 558348.6810 -3.7593 -3.7332 PRESSURE: 2752200 94.9029 -54.8255 -177.384 -54.8253 -130.008 4.85698 -177.384 4.85676 -0.432037 GPRESSURE: 2752200 138.952 -41.3767 -252.365 -63.4818 -98.0373 -17.9752 -65.3642 5.03217 33.822 PRESSAVG: 2752200 18.8429 15.2532 -16.4435 15.2533 -27.4277 -16.9104 -16.4435 -16.9105 16.7953 GPRESSAVG: 2752200 20.1711 15.6639 -16.6814 15.6925 -27.9704 -18.711 -16.7869 -17.9183 16.0812 TIMING: 2752200 CPU: 7986.41, 0.00290912/step Wall: 7986.41, 0.00290912/step, 1.81642 hours remaining, 207.433594 MB of memory in use. ENERGY: 2752200 749.6306 2027.2932 1936.9201 124.0610 -206353.9973 17865.0654 0.0000 0.0000 34132.9703 -149518.0567 298.0917 -183651.0270 -149425.3379 298.3465 -11.8458 24.9124 558292.1997 2.7368 2.7606 LDB: ============= START OF LOAD BALANCING ============== 7989.88 LDB: ============== END OF LOAD BALANCING =============== 7989.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7989.88 LDB: ============= START OF LOAD BALANCING ============== 7990.17 LDB: Largest compute 4821 load 0.033321 is 28.3% of average load 0.117732 LDB: Average compute 0.001729 is 1.5% of average load 0.117732 LDB: TIME 7990.17 LOAD: AVG 0.117732 MAX 0.180573 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.508 MB LDB: TIME 7990.18 LOAD: AVG 0.117732 MAX 0.180573 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.578 MB LDB: TIME 7990.18 LOAD: AVG 0.117732 MAX 0.180573 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7990.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7990.18 PRESSURE: 2752400 119.798 85.7252 100.336 85.7231 -17.5798 -38.0646 100.337 -38.0638 -45.2858 GPRESSURE: 2752400 160.237 -91.6618 159.427 176.113 86.521 -78.1358 137.193 84.7754 -83.8624 PRESSAVG: 2752400 35.3367 35.1669 -20.0584 35.1669 7.19936 70.0777 -20.0584 70.0776 -35.3155 GPRESSAVG: 2752400 34.4238 33.9508 -18.9536 35.0802 7.49645 70.3794 -21.3242 71.6892 -34.5492 TIMING: 2752400 CPU: 7987.01, 0.00296254/step Wall: 7987.01, 0.00296254/step, 1.84961 hours remaining, 206.703125 MB of memory in use. ENERGY: 2752400 751.0042 2133.5593 1940.7187 105.2692 -206711.6957 18003.0581 0.0000 0.0000 34207.6690 -149570.4173 298.7441 -183778.0862 -149485.3213 297.9083 18.9776 54.2986 556306.5823 2.4068 2.4570 PRESSURE: 2752600 31.2395 48.6931 126.829 48.6923 14.8213 -93.4703 126.829 -93.4692 117.059 GPRESSURE: 2752600 24.0076 14.864 112.133 43.576 59.5584 18.0006 134.22 -143.307 169.503 PRESSAVG: 2752600 -31.5295 -17.6618 4.50904 -17.6619 22.7401 14.2959 4.50906 14.2958 7.01401 GPRESSAVG: 2752600 -31.6856 -15.3008 2.95768 -18.9297 23.1203 14.3932 5.08131 12.2927 6.47375 TIMING: 2752600 CPU: 7987.59, 0.00289543/step Wall: 7987.59, 0.00289543/step, 1.80755 hours remaining, 207.203125 MB of memory in use. ENERGY: 2752600 808.5262 2079.1759 1932.2172 117.6040 -206438.6783 17812.7842 0.0000 0.0000 34314.9878 -149373.3830 299.6813 -183688.3708 -149275.7025 298.5620 54.3731 84.3564 556126.3989 -0.5918 -0.6972 PRESSURE: 2752800 -240.179 -246.43 -43.368 -246.43 -287.545 -116.143 -43.368 -116.143 90.7587 GPRESSURE: 2752800 -208.946 -166.092 -106.198 -253.803 -223.247 -172.472 -64.3226 -49.2754 92.7905 PRESSAVG: 2752800 8.25073 -71.49 4.62903 -71.49 -28.9809 -26.2943 4.62911 -26.2944 69.0231 GPRESSAVG: 2752800 8.77493 -71.583 7.12569 -71.3423 -29.3254 -26.4604 4.22471 -23.8746 68.7412 TIMING: 2752800 CPU: 7988.17, 0.00289995/step Wall: 7988.17, 0.00289995/step, 1.81021 hours remaining, 207.203125 MB of memory in use. ENERGY: 2752800 741.5994 2064.3459 2000.4889 129.0877 -206116.5677 17464.9939 0.0000 0.0000 34214.8092 -149501.2426 298.8064 -183716.0518 -149397.0649 298.5901 -145.6551 -113.1342 556259.8532 16.0976 16.0636 PRESSURE: 2753000 200.229 162.298 253.859 162.299 6.29762 104.055 253.858 104.053 -2.35128 GPRESSURE: 2753000 241.944 98.2491 255.714 176.924 35.6333 133.728 253.869 173.655 20.0633 PRESSAVG: 2753000 -6.19328 -10.0388 4.52787 -10.0387 -33.9651 -22.266 4.52789 -22.2661 16.5445 GPRESSAVG: 2753000 -5.96263 -10.8871 1.45491 -9.06413 -33.8135 -21.7075 4.10633 -20.9564 16.7445 TIMING: 2753000 CPU: 7988.75, 0.00291806/step Wall: 7988.75, 0.00291806/step, 1.82136 hours remaining, 207.203125 MB of memory in use. ENERGY: 2753000 724.4337 2048.5086 1945.4177 107.3995 -206211.6844 17853.3222 0.0000 0.0000 34046.2379 -149486.3648 297.3343 -183532.6028 -149393.3281 298.1903 68.0586 99.2135 555150.7080 -7.8713 -7.6772 PRESSURE: 2753200 -66.7109 43.3498 11.0557 43.3491 188.888 144.547 11.0552 144.546 10.8002 GPRESSURE: 2753200 -22.593 50.0712 14.8513 39.5939 166.083 170.416 3.97285 119.495 74.4089 PRESSAVG: 2753200 4.12197 8.35195 -18.1366 8.35197 34.6916 43.9576 -18.1366 43.9576 -27.7685 GPRESSAVG: 2753200 4.09738 8.96696 -16.4117 7.5425 33.2169 44.7058 -17.6034 40.0646 -27.0169 TIMING: 2753200 CPU: 7989.33, 0.00291503/step Wall: 7989.33, 0.00291503/step, 1.8193 hours remaining, 207.203125 MB of memory in use. ENERGY: 2753200 704.9803 2104.8442 1962.0000 115.8299 -206553.7325 17831.1914 0.0000 0.0000 34196.7033 -149638.1836 298.6483 -183834.8869 -149541.6972 297.7714 44.3257 72.6328 556663.2701 3.6817 3.4325 PRESSURE: 2753400 -39.0621 129.953 10.119 129.953 58.8937 -12.2706 10.1193 -12.2714 144.263 GPRESSURE: 2753400 -9.67563 160.791 60.3469 92.2994 60.8338 -32.7502 -10.9083 -25.81 198.893 PRESSAVG: 2753400 -23.524 34.3882 -9.69301 34.3882 30.2233 16.5998 -9.69299 16.5998 12.6028 GPRESSAVG: 2753400 -23.5402 33.503 -11.9794 34.4592 31.842 16.055 -9.34761 17.2289 11.5486 TIMING: 2753400 CPU: 7989.91, 0.00289368/step Wall: 7989.91, 0.00289368/step, 1.80582 hours remaining, 207.339844 MB of memory in use. ENERGY: 2753400 758.9219 2109.0189 1948.0213 116.2136 -206750.1091 18060.4796 0.0000 0.0000 34057.1911 -149700.2627 297.4299 -183757.4538 -149604.4673 298.1428 54.6983 83.3503 556462.7891 6.4340 6.6168 PRESSURE: 2753600 -91.9958 108.364 -214.644 108.364 -73.9578 -62.9599 -214.644 -62.9609 74.3337 GPRESSURE: 2753600 -107.767 78.4951 -210.207 88.9029 -8.84046 -15.1447 -259.376 -35.3895 103.457 PRESSAVG: 2753600 -80.5627 41.3881 -53.5729 41.388 12.8345 -22.0638 -53.573 -22.0636 69.8674 GPRESSAVG: 2753600 -81.073 39.759 -51.5961 43.3749 13.2614 -20.3224 -53.6818 -23.0818 69.2083 TIMING: 2753600 CPU: 7990.49, 0.00289249/step Wall: 7990.49, 0.00289249/step, 1.80492 hours remaining, 207.339844 MB of memory in use. ENERGY: 2753600 744.2493 2137.9666 1949.3658 109.4797 -206641.1511 17974.5841 0.0000 0.0000 34014.1707 -149711.3349 297.0542 -183725.5057 -149613.4852 297.5106 -30.5399 -4.3835 557067.1075 0.7131 0.4656 PRESSURE: 2753800 -103.301 -59.4153 -12.6732 -59.4152 308.331 -15.881 -12.6727 -15.8826 32.9808 GPRESSURE: 2753800 -76.8703 -28.9259 -0.674226 -32.195 393.161 -61.1222 120.859 -62.8003 20.986 PRESSAVG: 2753800 21.0568 -47.1819 -55.8679 -47.1819 9.33645 2.83705 -55.8679 2.83707 12.1664 GPRESSAVG: 2753800 22.2034 -43.1788 -56.8365 -49.968 8.32305 -1.00639 -55.1763 7.05957 12.1852 TIMING: 2753800 CPU: 7991.07, 0.00289701/step Wall: 7991.07, 0.00289701/step, 1.80757 hours remaining, 207.339844 MB of memory in use. ENERGY: 2753800 761.1282 2157.0984 1973.3315 111.4544 -207065.9707 18110.7611 0.0000 0.0000 34193.6054 -149758.5917 298.6213 -183952.1971 -149662.2957 298.0005 79.3370 112.4255 555541.2088 14.1866 14.2372 PRESSURE: 2754000 -13.5695 29.3971 117.702 29.3966 -62.4399 -113.616 117.701 -113.615 -284.002 GPRESSURE: 2754000 79.4808 50.9776 137.142 -52.127 -21.5287 -154.805 166.582 -143.268 -316.651 PRESSAVG: 2754000 14.3402 53.0471 -11.501 53.047 -41.7062 13.0134 -11.5009 13.0135 16.0294 GPRESSAVG: 2754000 13.2369 50.5288 -11.7943 52.7825 -42.0942 14.1895 -10.5139 10.8591 17.1081 TIMING: 2754000 CPU: 7991.65, 0.00290215/step Wall: 7991.65, 0.00290215/step, 1.81062 hours remaining, 207.339844 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: 2754000 761.5349 2092.9690 1978.5879 124.9108 -206208.2813 17784.5872 0.0000 0.0000 33858.6610 -149607.0306 295.6961 -183465.6916 -149506.9330 297.7014 -120.0038 -86.2329 558132.4329 -3.7789 -3.9164 PRESSURE: 2754200 -106.527 105.228 -107.576 105.229 108.045 64.8382 -107.578 64.8373 -364.959 GPRESSURE: 2754200 -58.5398 116.648 -107.926 68.2324 112.143 157.139 -82.7983 106.012 -310.959 PRESSAVG: 2754200 36.7655 7.57928 16.0816 7.5792 -5.48812 -28.8707 16.0816 -28.8706 -60.5234 GPRESSAVG: 2754200 35.7987 8.29101 17.2213 9.35422 -4.71121 -28.1081 14.705 -28.8637 -60.2679 TIMING: 2754200 CPU: 7992.23, 0.00290051/step Wall: 7992.23, 0.00290051/step, 1.80943 hours remaining, 207.339844 MB of memory in use. ENERGY: 2754200 736.2735 2152.4369 1981.5705 127.8653 -206439.7196 17842.7008 0.0000 0.0000 34007.7699 -149591.1026 296.9983 -183598.8725 -149487.8707 297.5917 -121.1469 -85.7851 557674.9872 -9.7487 -9.7268 PRESSURE: 2754400 151.007 -88.1213 179.015 -88.1204 -57.2517 94.0018 179.015 94.0035 30.8581 GPRESSURE: 2754400 170.857 -51.7217 135.611 -41.7701 -68.568 4.83749 170.833 78.5704 105.222 PRESSAVG: 2754400 60.9601 5.39003 -3.95183 5.39009 -12.6752 -43.6979 -3.95172 -43.698 -53.6478 GPRESSAVG: 2754400 60.7988 5.16987 -4.6829 6.02293 -12.3453 -43.8561 -3.13347 -44.5802 -53.5707 TIMING: 2754400 CPU: 7992.81, 0.00292307/step Wall: 7992.81, 0.00292307/step, 1.82335 hours remaining, 207.339844 MB of memory in use. ENERGY: 2754400 711.3363 2118.4808 1955.7354 116.8407 -206371.4851 17936.3703 0.0000 0.0000 34078.2306 -149454.4910 297.6137 -183532.7215 -149351.2239 298.3991 41.5379 69.1701 555501.0695 -1.7876 -1.7057 PRESSURE: 2754600 19.8556 -62.2909 10.6329 -62.2894 137.525 -30.6514 10.6321 -30.6502 198.267 GPRESSURE: 2754600 58.2049 -131.764 32.3195 -66.1613 177.667 -80.3398 -68.6012 -41.7716 212.233 PRESSAVG: 2754600 13.4218 -26.7084 -31.0916 -26.7084 -51.5272 -14.5081 -31.0916 -14.5082 12.8253 GPRESSAVG: 2754600 13.6338 -28.4097 -30.2547 -26.0836 -51.9838 -13.6645 -32.1415 -15.7794 13.3441 TIMING: 2754600 CPU: 7993.39, 0.00289438/step Wall: 7993.39, 0.00289438/step, 1.80529 hours remaining, 207.339844 MB of memory in use. ENERGY: 2754600 762.0852 2173.8344 1959.9614 118.2550 -206592.9834 18095.7841 0.0000 0.0000 34093.0229 -149390.0404 297.7428 -183483.0633 -149304.9223 297.9307 118.5493 149.3683 556826.6166 -8.4267 -8.3353 PRESSURE: 2754800 62.9209 -183.14 -145.602 -183.142 31.4077 78.0415 -145.602 78.0403 21.9641 GPRESSURE: 2754800 98.3704 -177.277 -147.573 -157.728 61.6559 110.929 -177.055 48.4403 50.6666 PRESSAVG: 2754800 0.139169 -65.8203 -36.9591 -65.8203 51.1356 -47.4827 -36.9591 -47.4827 -20.7253 GPRESSAVG: 2754800 0.866452 -64.6949 -40.2714 -66.2647 50.3815 -48.4016 -33.2197 -45.5774 -21.2752 TIMING: 2754800 CPU: 7993.97, 0.00290864/step Wall: 7993.97, 0.00290864/step, 1.81402 hours remaining, 207.339844 MB of memory in use. ENERGY: 2754800 735.4400 2096.5157 1975.2163 130.0214 -206432.9205 17867.8970 0.0000 0.0000 34315.4344 -149312.3957 299.6852 -183627.8301 -149212.9078 299.1890 38.7642 70.2310 557231.1744 10.1832 9.9909 PRESSURE: 2755000 63.7932 -13.2712 56.5623 -13.2719 82.5944 -62.6817 56.5619 -62.6822 29.8209 GPRESSURE: 2755000 102.098 2.48721 51.3416 -85.8611 68.2091 -149.202 13.9332 -34.8647 92.3865 PRESSAVG: 2755000 -19.6591 -17.0628 -16.9618 -17.0629 31.8242 -48.9588 -16.9618 -48.9587 -7.47792 GPRESSAVG: 2755000 -20.3125 -16.4561 -14.9195 -20.2717 33.0367 -49.472 -20.9796 -48.0716 -8.29282 TIMING: 2755000 CPU: 7994.56, 0.002927/step Wall: 7994.56, 0.002927/step, 1.82531 hours remaining, 207.339844 MB of memory in use. ENERGY: 2755000 749.8678 2115.2344 1981.8658 110.8082 -206530.7311 18129.6823 0.0000 0.0000 34236.7747 -149206.4978 298.9983 -183443.2724 -149111.4729 298.5024 58.7362 87.5645 558190.6600 1.5624 1.4771 PRESSURE: 2755200 -12.1527 28.29 57.6608 28.2902 65.9033 -61.1572 57.6589 -61.1563 -43.513 GPRESSURE: 2755200 37.2013 -19.8258 36.0462 -35.6919 110.592 -6.38404 127.756 -52.7698 -40.4231 PRESSAVG: 2755200 41.8606 -26.75 -64.4458 -26.75 -96.4101 -12.6038 -64.4458 -12.6038 40.4404 GPRESSAVG: 2755200 40.7373 -25.6632 -63.2578 -26.1897 -96.1045 -12.2198 -64.8444 -13.0296 41.4033 TIMING: 2755200 CPU: 7995.14, 0.00290077/step Wall: 7995.14, 0.00290077/step, 1.80879 hours remaining, 207.339844 MB of memory in use. ENERGY: 2755200 747.6910 2141.2027 1987.5893 126.9599 -206163.1546 17916.5093 0.0000 0.0000 34026.5761 -149216.6263 297.1626 -183243.2024 -149118.1321 298.3472 3.4125 35.7901 558957.8655 -4.7030 -4.6546 PRESSURE: 2755400 -42.4553 36.4362 -167.941 36.4355 -125.272 32.0094 -167.942 32.0092 -56.7171 GPRESSURE: 2755400 4.45558 14.0221 -128.725 8.23144 -74.1438 49.4495 -160.264 -39.791 -66.3961 PRESSAVG: 2755400 14.4658 -21.6208 5.61202 -21.6207 -12.9852 -8.47279 5.61193 -8.47282 17.9874 GPRESSAVG: 2755400 15.9079 -25.0605 5.53629 -20.0919 -14.5691 -9.0308 6.17275 -9.22941 18.0317 TIMING: 2755400 CPU: 7995.72, 0.00291859/step Wall: 7995.72, 0.00291859/step, 1.81974 hours remaining, 207.339844 MB of memory in use. ENERGY: 2755400 764.9056 2081.9851 1965.4133 113.4688 -206017.5395 17685.5045 0.0000 0.0000 34262.7751 -149143.4872 299.2253 -183406.2623 -149038.9765 298.6679 -74.8147 -45.3614 557794.1981 6.4893 6.4569 PRESSURE: 2755600 -277.767 71.3353 30.699 71.3346 179.419 65.4142 30.6992 65.4141 -195.219 GPRESSURE: 2755600 -270.213 60.681 -0.472517 104.052 176.566 -16.5041 26.3757 141.041 -98.8398 PRESSAVG: 2755600 12.1453 -31.513 2.94856 -31.513 6.37154 -2.86337 2.94847 -2.86339 46.6858 GPRESSAVG: 2755600 11.2738 -30.1573 2.47842 -31.869 6.90953 -2.9866 2.84834 -1.93849 46.7975 TIMING: 2755600 CPU: 7996.3, 0.00288985/step Wall: 7996.3, 0.00288985/step, 1.80166 hours remaining, 207.339844 MB of memory in use. ENERGY: 2755600 720.0120 2153.0251 1949.5739 119.7608 -205775.3935 17621.3303 0.0000 0.0000 33943.2282 -149268.4632 296.4347 -183211.6914 -149175.7161 299.0058 -97.8557 -64.1624 557299.8169 21.7342 21.6603 PRESSURE: 2755800 -237.568 113.941 -10.7084 113.942 -291.723 71.6569 -10.7074 71.6564 -218.989 GPRESSURE: 2755800 -220.386 91.2463 70.7472 129.256 -168.859 67.5946 -70.4861 110.784 -251.577 PRESSAVG: 2755800 -52.7587 34.985 40.9448 34.9849 5.89276 24.6377 40.945 24.6377 -33.754 GPRESSAVG: 2755800 -51.9705 36.4485 40.7305 34.4112 6.40874 24.9785 41.3907 24.3622 -34.952 TIMING: 2755800 CPU: 7996.88, 0.00290222/step Wall: 7996.88, 0.00290222/step, 1.80921 hours remaining, 207.339844 MB of memory in use. ENERGY: 2755800 764.9858 2060.1701 1943.9046 106.8969 -206136.9706 17532.8952 0.0000 0.0000 34330.0670 -149398.0511 299.8130 -183728.1181 -149302.4891 298.3372 -249.4266 -213.6075 557923.6022 -26.8733 -26.8379 PRESSURE: 2756000 152.333 -94.5276 -42.21 -94.5257 57.2985 -54.4483 -42.2092 -54.4479 66.088 GPRESSURE: 2756000 193.602 -173.64 -156.037 -96.4671 32.3584 -61.2688 12.2746 -3.52874 159.325 PRESSAVG: 2756000 6.80475 -10.2874 -7.0138 -10.2873 -10.8486 35.484 -7.01382 35.484 -3.17141 GPRESSAVG: 2756000 7.42473 -11.4129 -5.76383 -9.79666 -11.6494 35.4531 -6.64909 35.6788 -2.5308 TIMING: 2756000 CPU: 7997.46, 0.00289631/step Wall: 7997.46, 0.00289631/step, 1.80537 hours remaining, 207.339844 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: 2756000 732.5739 2117.5434 1960.3518 105.6606 -206266.2483 17892.4276 0.0000 0.0000 34182.1071 -149275.5840 298.5208 -183457.6911 -149179.0054 298.8717 91.9065 128.4284 557637.2872 -2.4051 -2.2518 PRESSURE: 2756200 -40.7229 -6.98342 -44.3436 -6.98304 202.499 71.9239 -44.3435 71.9243 -42.2049 GPRESSURE: 2756200 -12.9944 3.77273 -2.85616 -72.3534 252.866 133.894 -105.006 22.9453 -29.8573 PRESSAVG: 2756200 -37.2822 -80.3768 -24.8659 -80.3768 12.0825 7.03296 -24.8659 7.033 58.1792 GPRESSAVG: 2756200 -37.7905 -80.4279 -27.5262 -81.0292 11.1426 8.65466 -24.6497 6.11556 59.34 TIMING: 2756200 CPU: 7998.04, 0.00290098/step Wall: 7998.04, 0.00290098/step, 1.80812 hours remaining, 207.339844 MB of memory in use. ENERGY: 2756200 714.6536 2093.8591 1978.2569 118.0392 -206135.2735 17755.1402 0.0000 0.0000 34258.2589 -149217.0657 299.1859 -183475.3246 -149123.7852 299.1319 39.8569 70.0048 557136.9110 10.9931 10.8974 LDB: ============= START OF LOAD BALANCING ============== 8001.51 LDB: ============== END OF LOAD BALANCING =============== 8001.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8001.51 LDB: ============= START OF LOAD BALANCING ============== 8001.8 LDB: Largest compute 4821 load 0.031331 is 26.6% of average load 0.117779 LDB: Average compute 0.001729 is 1.5% of average load 0.117779 LDB: TIME 8001.8 LOAD: AVG 0.117779 MAX 0.178334 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 8001.8 LOAD: AVG 0.117779 MAX 0.178334 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: TIME 8001.8 LOAD: AVG 0.117779 MAX 0.178334 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: ============== END OF LOAD BALANCING =============== 8001.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8001.81 PRESSURE: 2756400 99.7842 -13.2104 -74.6007 -13.2098 401.346 128.748 -74.6009 128.747 6.80536 GPRESSURE: 2756400 157.229 -57.3566 -106.726 76.0049 426.261 158.245 -61.7117 143.619 11.2597 PRESSAVG: 2756400 -12.5437 -42.6865 -10.6089 -42.6865 22.3909 7.36604 -10.6089 7.36598 -6.45947 GPRESSAVG: 2756400 -12.8506 -43.0297 -10.023 -40.172 24.3729 5.26255 -11.6407 8.40575 -8.21187 TIMING: 2756400 CPU: 7998.63, 0.00296607/step Wall: 7998.63, 0.00296607/step, 1.84852 hours remaining, 207.281250 MB of memory in use. ENERGY: 2756400 712.0339 2086.5036 1962.6677 120.1434 -206474.7163 17996.6523 0.0000 0.0000 34286.0884 -149310.6270 299.4289 -183596.7154 -149216.8356 298.4761 169.3120 198.2499 555469.3576 1.1293 1.1035 PRESSURE: 2756600 -339.927 15.2747 162.142 15.275 -178.262 -196.688 162.141 -196.689 128.408 GPRESSURE: 2756600 -273.316 -72.7629 149.664 47.4091 -221.392 -154.665 260.097 -161.833 205.477 PRESSAVG: 2756600 -34.9188 1.81436 6.01284 1.8144 6.89189 9.94093 6.0128 9.94079 76.0329 GPRESSAVG: 2756600 -36.4969 2.3742 6.11114 0.398742 6.15616 12.0178 8.04267 9.76115 78.1212 TIMING: 2756600 CPU: 7999.22, 0.00291237/step Wall: 7999.22, 0.00291237/step, 1.81489 hours remaining, 207.425781 MB of memory in use. ENERGY: 2756600 722.9213 2019.4615 1960.0639 113.7339 -205946.8575 17566.7846 0.0000 0.0000 34272.5660 -149291.3262 299.3108 -183563.8923 -149192.9191 299.1803 -129.9268 -96.4102 557139.2849 16.0020 15.9268 PRESSURE: 2756800 88.8095 53.4054 51.1309 53.4053 71.4213 -165.536 51.1312 -165.539 63.5796 GPRESSURE: 2756800 117.194 41.3538 6.26347 105.99 151.679 -257.353 95.3723 -83.8906 60.134 PRESSAVG: 2756800 -21.6377 -11.5753 88.8945 -11.5753 -52.1128 20.3183 88.8945 20.3181 43.0142 GPRESSAVG: 2756800 -20.5534 -12.7066 89.8372 -11.812 -51.4689 17.4284 87.9046 22.1518 41.9653 TIMING: 2756800 CPU: 7999.8, 0.00290409/step Wall: 7999.8, 0.00290409/step, 1.80957 hours remaining, 207.425781 MB of memory in use. ENERGY: 2756800 729.1200 2065.1962 1930.9988 118.4363 -206484.7583 17947.2460 0.0000 0.0000 34350.5983 -149343.1628 299.9923 -183693.7610 -149241.8694 298.8141 74.6035 109.6690 555831.1200 -10.2454 -10.0190 PRESSURE: 2757000 -80.8383 62.1959 2.55507 62.1963 -212.612 88.2641 2.55424 88.2632 -102.362 GPRESSURE: 2757000 -38.4166 -31.9237 14.6919 136.992 -190.259 128.814 31.7659 37.2836 -69.2162 PRESSAVG: 2757000 -48.8002 18.235 36.9655 18.235 8.90437 12.7334 36.9654 12.7334 18.8127 GPRESSAVG: 2757000 -48.6102 18.2048 36.4437 18.3332 8.63264 14.3513 36.8772 12.2745 18.8332 TIMING: 2757000 CPU: 8000.38, 0.00290404/step Wall: 8000.38, 0.00290404/step, 1.80938 hours remaining, 207.726562 MB of memory in use. ENERGY: 2757000 707.6078 2100.9573 1947.6535 119.9042 -206272.7474 17809.0259 0.0000 0.0000 34277.8106 -149309.7880 299.3566 -183587.5986 -149209.3960 298.6712 -131.9373 -99.2973 557849.0251 -7.0277 -7.0481 PRESSURE: 2757200 31.8437 71.8567 -105.144 71.8579 -156.387 12.3382 -105.144 12.3367 288.327 GPRESSURE: 2757200 48.7599 39.5547 -116.715 -84.2442 -166.141 32.6384 -104.933 52.9916 388.666 PRESSAVG: 2757200 -28.6983 74.4651 4.25602 74.4651 4.83413 36.9503 4.25608 36.9503 62.0577 GPRESSAVG: 2757200 -28.6309 76.7644 5.56361 71.5969 5.36377 36.2365 4.09141 37.9236 61.7651 TIMING: 2757200 CPU: 8000.96, 0.00291562/step Wall: 8000.96, 0.00291562/step, 1.81643 hours remaining, 207.726562 MB of memory in use. ENERGY: 2757200 750.2632 2070.0381 1950.8679 116.1507 -206359.0812 17906.4767 0.0000 0.0000 34253.4366 -149311.8481 299.1438 -183565.2846 -149212.9286 299.4369 54.5943 90.4281 557982.4386 12.7312 12.8327 PRESSURE: 2757400 -46.1949 231.673 19.2143 231.674 -286.143 10.2344 19.2144 10.2366 -137.79 GPRESSURE: 2757400 25.4737 187.857 52.4866 220.427 -199.66 4.75 39.1574 68.641 -175.305 PRESSAVG: 2757400 3.5174 45.2076 -17.0557 45.2076 -54.0197 5.25006 -17.0557 5.25009 36.4359 GPRESSAVG: 2757400 3.42338 43.8261 -19.3907 46.9516 -54.7437 6.26375 -16.8033 3.65857 37.1482 TIMING: 2757400 CPU: 8001.55, 0.00293256/step Wall: 8001.55, 0.00293256/step, 1.82682 hours remaining, 207.726562 MB of memory in use. ENERGY: 2757400 740.7689 2099.9390 1962.8177 104.6925 -205793.1531 17572.3895 0.0000 0.0000 34134.0367 -149178.5088 298.1010 -183312.5455 -149086.8545 299.3390 -156.7093 -116.4973 558613.5198 -4.6888 -4.7240 PRESSURE: 2757600 -157.444 44.479 -46.6585 44.4807 -79.8852 -76.4315 -46.6578 -76.4322 46.4983 GPRESSURE: 2757600 -137.72 51.7993 25.5256 112.188 -39.5734 -25.9506 -92.1691 -69.5902 87.7266 PRESSAVG: 2757600 -25.8443 2.30006 -4.43563 2.30005 -6.94316 -31.6529 -4.43564 -31.653 68.5451 GPRESSAVG: 2757600 -26.4271 1.14771 -4.34271 4.93281 -6.51786 -32.188 -3.7653 -31.6176 68.2902 TIMING: 2757600 CPU: 8002.13, 0.00293215/step Wall: 8002.13, 0.00293215/step, 1.8264 hours remaining, 207.726562 MB of memory in use. ENERGY: 2757600 747.2492 2138.1060 1950.1467 105.9027 -206444.0923 17885.0186 0.0000 0.0000 34429.9969 -149187.6722 300.6857 -183617.6690 -149096.3223 299.6778 -63.6102 -29.8555 557428.0677 11.9192 11.7817 PRESSURE: 2757800 21.4993 61.6342 -49.105 61.6336 26.3812 -132.368 -49.1053 -132.366 438.58 GPRESSURE: 2757800 82.9184 6.28419 -7.84925 82.9542 60.1671 -86.3823 -99.8035 -158.543 450.457 PRESSAVG: 2757800 -31.4197 49.7026 15.846 49.7027 -86.9726 6.87475 15.846 6.87487 51.2401 GPRESSAVG: 2757800 -31.1317 50.3673 15.9924 48.7284 -87.0603 8.28575 15.0071 6.2427 51.5076 TIMING: 2757800 CPU: 8002.72, 0.00291109/step Wall: 8002.72, 0.00291109/step, 1.81313 hours remaining, 207.726562 MB of memory in use. ENERGY: 2757800 742.7506 2092.3109 1949.5821 110.3243 -206361.4191 17993.1449 0.0000 0.0000 34419.8770 -149053.4292 300.5973 -183473.3062 -148959.9793 299.4411 162.1534 197.8474 557717.2297 -22.3840 -22.2282 PRESSURE: 2758000 17.2481 61.4104 111.721 61.4092 -62.0365 -122.012 111.721 -122.01 -235.385 GPRESSURE: 2758000 75.5521 47.5367 126.176 20.9615 -63.8159 -38.4255 173.616 -138.522 -192.712 PRESSAVG: 2758000 3.06624 47.1318 -40.6164 47.1317 -11.7555 -24.0973 -40.6164 -24.0973 15.5405 GPRESSAVG: 2758000 3.66591 47.3359 -39.512 45.4954 -12.9317 -26.5071 -42.4867 -22.3454 15.2879 TIMING: 2758000 CPU: 8003.3, 0.00293149/step Wall: 8003.3, 0.00293149/step, 1.82566 hours remaining, 207.863281 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: 2758000 719.9265 2179.5992 1957.5344 114.9627 -205807.7962 17476.6740 0.0000 0.0000 34348.4753 -149010.6241 299.9738 -183359.0995 -148908.9537 299.6855 -93.3911 -60.3253 556609.4006 2.2837 2.0074 PRESSURE: 2758200 116.015 83.0971 -24.9329 83.0952 -101.159 -46.8186 -24.9327 -46.8178 73.3148 GPRESSURE: 2758200 151.905 54.8035 -24.4277 54.9804 -108.634 -49.86 7.39661 -99.6908 140.997 PRESSAVG: 2758200 -47.6558 19.8552 17.4971 19.8552 -7.70343 -12.744 17.497 -12.744 71.1439 GPRESSAVG: 2758200 -46.5514 19.5098 15.701 21.6036 -7.92044 -12.574 19.4513 -13.5273 70.1515 TIMING: 2758200 CPU: 8003.89, 0.00291895/step Wall: 8003.89, 0.00291895/step, 1.8177 hours remaining, 207.863281 MB of memory in use. ENERGY: 2758200 760.5581 2095.5209 1939.7195 115.1368 -205659.4208 17630.0751 0.0000 0.0000 34214.4695 -148903.9410 298.8035 -183118.4105 -148806.6600 299.7649 29.3901 61.4227 556335.5136 5.2616 5.2265 PRESSURE: 2758400 138.878 55.9158 34.5287 55.915 -353.181 -127.928 34.5288 -127.928 139.997 GPRESSURE: 2758400 174.508 81.4662 33.5042 29.3781 -332.674 -85.7001 52.1626 -64.7347 169.898 PRESSAVG: 2758400 -9.11617 30.6286 68.071 30.6287 -39.4901 -39.9889 68.071 -39.989 38.5874 GPRESSAVG: 2758400 -9.99671 32.1221 69.6279 28.4903 -39.8835 -38.7587 68.3294 -40.1218 39.7205 TIMING: 2758400 CPU: 8004.47, 0.00293368/step Wall: 8004.47, 0.00293368/step, 1.82671 hours remaining, 207.863281 MB of memory in use. ENERGY: 2758400 746.4935 2134.5113 1969.8520 109.9002 -206056.1718 17738.8963 0.0000 0.0000 34260.7234 -149095.7951 299.2074 -183356.5185 -149001.8632 299.5477 -24.7687 3.9103 558798.4663 -3.3396 -3.3866 PRESSURE: 2758600 121.55 14.9805 277.605 14.9809 328.146 -118.29 277.606 -118.288 128.604 GPRESSURE: 2758600 135.076 1.51396 285.142 -25.9432 345.668 -140.472 234.713 -142.353 180.882 PRESSAVG: 2758600 18.5305 6.44207 15.309 6.44204 -2.70544 -57.5018 15.309 -57.5018 -11.104 GPRESSAVG: 2758600 17.9189 5.55613 15.6964 7.33019 -1.50761 -58.0174 14.8819 -56.7174 -12.0046 TIMING: 2758600 CPU: 8005.06, 0.0029081/step Wall: 8005.06, 0.0029081/step, 1.81062 hours remaining, 207.863281 MB of memory in use. ENERGY: 2758600 772.8951 2080.6214 1960.8153 124.7290 -206692.2080 18208.4234 0.0000 0.0000 34184.6663 -149360.0576 298.5432 -183544.7239 -149263.1269 298.9040 192.7668 220.5421 557295.8759 1.5737 1.4689 PRESSURE: 2758800 366.429 62.9876 70.6056 62.9858 44.2454 39.8821 70.6045 39.8825 11.574 GPRESSURE: 2758800 361.872 78.5404 153.221 122.027 84.6327 -45.0711 37.2756 72.5646 76.1452 PRESSAVG: 2758800 55.3058 25.2695 57.2927 25.2695 -35.2361 -30.7441 57.2928 -30.7441 -40.9749 GPRESSAVG: 2758800 56.4999 23.6055 57.442 25.6814 -36.0604 -31.1373 57.998 -31.6937 -40.9099 TIMING: 2758800 CPU: 8005.64, 0.0028991/step Wall: 8005.64, 0.0028991/step, 1.80485 hours remaining, 207.863281 MB of memory in use. ENERGY: 2758800 711.9394 2092.5626 1968.8577 112.6896 -206398.0265 17980.4273 0.0000 0.0000 34210.5362 -149321.0137 298.7691 -183531.5498 -149226.3238 298.3152 140.7496 174.2165 556682.8264 -6.9684 -6.8235 PRESSURE: 2759000 -174.109 -12.5553 195.322 -12.5534 -324.353 -37.8794 195.322 -37.8786 4.05002 GPRESSURE: 2759000 -132.166 8.33637 314.113 -7.98021 -328.301 36.1553 235.709 -83.2477 61.1591 PRESSAVG: 2759000 9.59532 1.94862 43.8 1.94862 -92.1625 -8.62802 43.8 -8.62804 72.5689 GPRESSAVG: 2759000 9.50093 1.60949 44.5137 1.47811 -92.4211 -8.66494 44.5461 -7.40891 72.5874 TIMING: 2759000 CPU: 8006.22, 0.00290375/step Wall: 8006.22, 0.00290375/step, 1.80758 hours remaining, 207.863281 MB of memory in use. ENERGY: 2759000 747.8264 2122.9353 1985.3721 122.7709 -205897.2901 17613.0383 0.0000 0.0000 34083.5949 -149221.7521 297.6605 -183305.3470 -149132.4496 298.8863 -164.8039 -133.1025 558934.0596 -3.3328 -3.4443 PRESSURE: 2759200 -90.6139 -3.34742 69.3347 -3.3475 107.829 202.661 69.3343 202.661 -242.228 GPRESSURE: 2759200 -79.3327 7.16739 45.4736 46.4041 82.786 143.465 113.166 215.603 -144.674 PRESSAVG: 2759200 48.3728 30.5154 125.165 30.5154 -9.53876 14.8368 125.165 14.8367 -55.8949 GPRESSAVG: 2759200 46.7458 32.819 124.59 28.7404 -7.93856 16.2993 123.957 12.9844 -55.8606 TIMING: 2759200 CPU: 8006.8, 0.0029082/step Wall: 8006.8, 0.0029082/step, 1.81019 hours remaining, 207.863281 MB of memory in use. ENERGY: 2759200 719.2118 2180.6008 1974.5150 124.9993 -205994.6141 17581.9145 0.0000 0.0000 34166.6651 -149246.7076 298.3860 -183413.3727 -149156.2935 298.9295 -75.0043 -47.0736 556266.1162 -5.6869 -5.6844 PRESSURE: 2759400 123.562 -70.8156 200.303 -70.8158 -94.256 88.9318 200.302 88.9334 355.738 GPRESSURE: 2759400 119.622 -126.511 103.526 11.7684 -46.4092 111.678 221.463 78.1866 395.997 PRESSAVG: 2759400 45.0491 -29.5489 50.3666 -29.5489 -60.2051 29.4863 50.3667 29.4863 -14.4745 GPRESSAVG: 2759400 45.7095 -31.4616 49.1948 -27.1849 -60.531 26.9714 50.6221 31.175 -14.8962 TIMING: 2759400 CPU: 8007.38, 0.00290256/step Wall: 8007.38, 0.00290256/step, 1.80652 hours remaining, 207.863281 MB of memory in use. ENERGY: 2759400 713.5541 2105.5770 1983.8950 110.2567 -206463.0867 18043.2807 0.0000 0.0000 34292.0118 -149214.5113 299.4807 -183506.5231 -149121.2710 299.7642 128.3481 156.4033 557191.6744 -9.8768 -9.9059 PRESSURE: 2759600 -140.225 18.9281 -8.68516 18.9279 35.8289 4.27355 -8.68433 4.27236 -206.703 GPRESSURE: 2759600 -157.994 -5.83792 15.7181 122.957 53.5458 76.0247 13.5497 -12.9474 -103.149 PRESSAVG: 2759600 11.474 32.7354 45.607 32.7353 -0.425234 -13.9937 45.6071 -13.9936 -28.9807 GPRESSAVG: 2759600 10.8568 33.2208 47.5593 32.0369 -0.102354 -13.3351 45.1537 -10.9203 -29.1786 TIMING: 2759600 CPU: 8007.95, 0.00287854/step Wall: 8007.95, 0.00287854/step, 1.79141 hours remaining, 207.863281 MB of memory in use. ENERGY: 2759600 704.2241 2138.8364 1943.9291 121.9351 -206215.1658 17832.7841 0.0000 0.0000 34178.9699 -149294.4871 298.4934 -183473.4570 -149193.7475 298.9171 -103.6997 -69.1990 558881.8543 -5.9773 -6.1414 PRESSURE: 2759800 -125.58 16.7356 -31.0341 16.7365 -7.1024 -14.2331 -31.0336 -14.2343 -130.465 GPRESSURE: 2759800 -58.2621 -5.30426 -57.12 -33.3711 43.4523 51.4633 12.9796 -116.485 -167.237 PRESSAVG: 2759800 -19.3182 37.0696 -31.9199 37.0697 38.6056 2.83519 -31.92 2.83512 -25.5381 GPRESSAVG: 2759800 -18.6369 37.2525 -34.7084 36.4741 38.1013 3.64752 -29.7489 -0.825851 -26.0521 TIMING: 2759800 CPU: 8008.53, 0.00289301/step Wall: 8008.53, 0.00289301/step, 1.80025 hours remaining, 207.863281 MB of memory in use. ENERGY: 2759800 753.2185 2102.6732 1964.4048 112.3888 -205995.3944 17722.2095 0.0000 0.0000 34113.0903 -149227.4093 297.9181 -183340.4996 -149129.3075 298.9927 -87.7159 -60.6824 557726.6367 -2.0836 -2.1959 PRESSURE: 2760000 -71.3487 -5.82391 168.984 -5.82272 3.60114 65.0371 168.984 65.0377 -97.2132 GPRESSURE: 2760000 -28.245 9.61098 227.688 -53.832 40.7029 36.3313 112.852 128.996 -80.9876 PRESSAVG: 2760000 33.081 30.1339 24.3867 30.1339 40.6259 22.2697 24.3867 22.2697 -57.0645 GPRESSAVG: 2760000 32.0148 29.937 25.9445 31.0508 40.3332 21.3633 22.3005 22.1089 -55.9448 TIMING: 2760000 CPU: 8009.12, 0.00291558/step Wall: 8009.12, 0.00291558/step, 1.81414 hours remaining, 207.863281 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: 2760000 737.3639 2086.7089 1965.1463 111.2553 -206093.8053 17665.2691 0.0000 0.0000 34424.2084 -149103.8535 300.6352 -183528.0619 -148999.8210 299.1470 -54.9869 -22.8432 557329.0153 5.5475 5.4677 PRESSURE: 2760200 232.52 15.604 7.99264 15.6026 359.787 41.9236 7.99283 41.9236 383.639 GPRESSURE: 2760200 253.776 64.6395 112.095 -58.2166 372.295 4.26729 -50.7405 77.1022 433.786 PRESSAVG: 2760200 -10.3074 32.0254 10.4569 32.0253 36.7075 16.1101 10.4569 16.1102 -31.1246 GPRESSAVG: 2760200 -8.83925 34.9081 11.1408 28.9715 37.8687 17.7169 10.2322 16.2534 -33.8809 TIMING: 2760200 CPU: 8009.7, 0.00289831/step Wall: 8009.7, 0.00289831/step, 1.80323 hours remaining, 207.863281 MB of memory in use. ENERGY: 2760200 724.0867 2057.3039 1967.1160 115.0705 -206687.3721 18257.3347 0.0000 0.0000 34194.1235 -149372.3367 298.6258 -183566.4602 -149274.4531 298.5054 325.3153 353.2860 555954.5250 -1.5748 -1.6172 LDB: ============= START OF LOAD BALANCING ============== 8013.16 LDB: ============== END OF LOAD BALANCING =============== 8013.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8013.16 LDB: ============= START OF LOAD BALANCING ============== 8013.45 LDB: Largest compute 4821 load 0.032026 is 27.2% of average load 0.117725 LDB: Average compute 0.001729 is 1.5% of average load 0.117725 LDB: TIME 8013.46 LOAD: AVG 0.117725 MAX 0.176078 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.488 MB LDB: TIME 8013.46 LOAD: AVG 0.117725 MAX 0.176078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 8013.46 LOAD: AVG 0.117725 MAX 0.176078 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8013.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8013.46 PRESSURE: 2760400 -131.644 -95.1978 94.4105 -95.1993 50.9244 -168.549 94.4101 -168.55 -67.0261 GPRESSURE: 2760400 -153.542 -163.376 80.9048 -89.3817 130.017 -152.497 66.0425 -134.218 -20.582 PRESSAVG: 2760400 0.311435 -19.7881 51.2591 -19.7881 15.132 8.58428 51.2591 8.58422 -21.8047 GPRESSAVG: 2760400 -0.0278219 -24.2713 52.1173 -15.1907 14.7918 8.14215 51.2973 8.10454 -21.2438 TIMING: 2760400 CPU: 8010.29, 0.00296284/step Wall: 8010.29, 0.00296284/step, 1.84322 hours remaining, 205.984375 MB of memory in use. ENERGY: 2760400 761.6167 2063.8571 1953.8743 126.9924 -206378.9589 17824.9093 0.0000 0.0000 34242.6914 -149405.0176 299.0499 -183647.7090 -149309.7242 298.7093 -49.2484 -14.7023 558281.7536 -2.1204 -2.1599 PRESSURE: 2760600 -264.586 103.873 -25.3702 103.873 -103.749 -141.34 -25.3704 -141.339 -95.0634 GPRESSURE: 2760600 -197.014 121.39 79.8396 -37.7434 -88.8807 -102.956 -111.515 -128.102 -68.4705 PRESSAVG: 2760600 -13.5164 -4.85974 39.1151 -4.85973 21.2657 40.045 39.115 40.045 -45.87 GPRESSAVG: 2760600 -13.7927 -2.34346 36.6101 -8.27364 21.5517 41.9326 39.6139 38.8543 -45.3047 TIMING: 2760600 CPU: 8010.87, 0.00289948/step Wall: 8010.87, 0.00289948/step, 1.80364 hours remaining, 206.187500 MB of memory in use. ENERGY: 2760600 750.2282 2058.8575 1928.6374 108.6314 -206351.4475 17693.8044 0.0000 0.0000 34297.4541 -149513.8346 299.5282 -183811.2887 -149411.8459 298.5048 -154.4662 -118.1218 557408.1533 -12.7069 -12.5152 PRESSURE: 2760800 120.809 -66.4609 -35.083 -66.4602 -188.316 99.9359 -35.0835 99.9344 253.732 GPRESSURE: 2760800 152.888 -93.0185 -19.9568 -105.031 -152.978 118.641 19.47 83.8534 290.297 PRESSAVG: 2760800 -8.49613 17.4321 -26.4595 17.4321 -38.8761 32.0105 -26.4595 32.0105 32.5242 GPRESSAVG: 2760800 -7.401 16.3442 -26.4012 20.2293 -39.1292 31.7073 -25.6275 30.8203 31.3064 TIMING: 2760800 CPU: 8011.44, 0.00286944/step Wall: 8011.44, 0.00286944/step, 1.78479 hours remaining, 206.390625 MB of memory in use. ENERGY: 2760800 728.1932 2077.9416 1969.1188 109.8092 -206718.2047 18044.0338 0.0000 0.0000 34237.5241 -149551.5840 299.0048 -183789.1081 -149453.2374 298.3505 62.0751 96.7358 556026.5793 -4.9493 -5.0746 PRESSURE: 2761000 217.741 175.016 69.4985 175.015 8.25861 29.4387 69.4977 29.4405 -96.6862 GPRESSURE: 2761000 198.762 239.516 121.002 165.445 119.31 -9.27299 0.642343 -30.943 -95.6577 PRESSAVG: 2761000 -31.5186 -7.40674 -4.00386 -7.40663 -1.94054 70.4865 -4.00382 70.4866 32.4182 GPRESSAVG: 2761000 -32.0383 -5.47915 -2.93382 -9.68338 -2.81941 70.9793 -5.13049 72.455 33.9974 TIMING: 2761000 CPU: 8012.02, 0.00288386/step Wall: 8012.02, 0.00288386/step, 1.7936 hours remaining, 206.593750 MB of memory in use. ENERGY: 2761000 743.1607 2054.0550 1971.1217 114.3269 -206419.4966 17773.1221 0.0000 0.0000 34205.6234 -149558.0868 298.7262 -183763.7102 -149457.4212 298.0716 43.1045 74.1378 556488.3952 -0.3470 -0.2868 PRESSURE: 2761200 -126.408 -157.524 203.74 -157.524 -91.4968 41.7778 203.74 41.7791 -111.727 GPRESSURE: 2761200 -61.9257 -97.6834 207.881 -141.054 -35.3273 119.746 236.927 73.4219 -128.767 PRESSAVG: 2761200 -34.2236 -7.02032 -6.52937 -7.02024 26.1479 23.6289 -6.52939 23.6289 1.11103 GPRESSAVG: 2761200 -36.3784 -8.2889 -7.50179 -4.4854 26.4588 22.0824 -6.05101 24.1762 2.92235 TIMING: 2761200 CPU: 8012.6, 0.00288862/step Wall: 8012.6, 0.00288862/step, 1.7964 hours remaining, 206.593750 MB of memory in use. ENERGY: 2761200 755.7978 2072.3652 1973.8202 105.3305 -206253.1843 17638.4428 0.0000 0.0000 34176.6136 -149530.8143 298.4729 -183707.4278 -149442.3946 298.1779 -109.8773 -75.3401 556239.0120 -2.3215 -2.3324 PRESSURE: 2761400 -188.249 -27.5916 116.688 -27.5914 -167.63 105.566 116.689 105.565 215.569 GPRESSURE: 2761400 -115.579 -93.9286 154.67 -112.982 -108.051 135.787 108.814 84.254 187.323 PRESSAVG: 2761400 -50.6515 -30.585 43.5029 -30.5851 11.6098 -4.8676 43.5028 -4.86753 95.9664 GPRESSAVG: 2761400 -48.6179 -30.8598 46.1424 -32.474 11.8655 -6.19591 41.6627 -4.66012 93.8086 TIMING: 2761400 CPU: 8013.17, 0.00289196/step Wall: 8013.17, 0.00289196/step, 1.79832 hours remaining, 206.593750 MB of memory in use. ENERGY: 2761400 720.4112 2106.7019 1948.9202 119.1678 -206339.9386 17677.9933 0.0000 0.0000 34320.1327 -149446.6116 299.7263 -183766.7443 -149347.0032 298.5862 -46.7701 -12.1027 556236.2486 18.9749 19.0187 PRESSURE: 2761600 -65.2917 211.374 34.6749 211.373 -87.4348 137.101 34.6746 137.102 205.742 GPRESSURE: 2761600 -32.397 234.23 13.8862 188.432 -19.8697 93.4215 -27.0263 176.531 211.129 PRESSAVG: 2761600 -32.3621 40.3786 42.9378 40.3786 31.0637 -7.06984 42.9378 -7.06989 13.6087 GPRESSAVG: 2761600 -32.7211 40.8462 42.3586 41.094 31.0675 -8.07538 44.0811 -8.57713 14.2824 TIMING: 2761600 CPU: 8013.75, 0.00287407/step Wall: 8013.75, 0.00287407/step, 1.78703 hours remaining, 206.593750 MB of memory in use. ENERGY: 2761600 756.9984 2155.1430 1962.8930 116.2104 -206217.1928 17803.7342 0.0000 0.0000 34079.3202 -149342.8936 297.6232 -183422.2137 -149254.4519 298.9177 17.6718 52.9542 555971.1724 4.1034 4.2096 PRESSURE: 2761800 167.719 -106.95 20.9272 -106.949 195.036 -109.271 20.9266 -109.271 40.9229 GPRESSURE: 2761800 248.085 6.1155 20.9955 -170.751 227.781 -147.287 34.5522 -39.0651 26.0757 PRESSAVG: 2761800 -25.0676 66.921 6.64235 66.9209 9.56145 -16.6358 6.64237 -16.6359 34.7576 GPRESSAVG: 2761800 -24.1523 66.2371 6.89379 66.3103 9.20874 -14.5009 6.75046 -16.6762 34.4927 TIMING: 2761800 CPU: 8014.33, 0.00288353/step Wall: 8014.33, 0.00288353/step, 1.79276 hours remaining, 206.593750 MB of memory in use. ENERGY: 2761800 741.6122 2101.7397 1948.8551 104.3158 -206486.3451 18136.9325 0.0000 0.0000 34018.5490 -149434.3408 297.0924 -183452.8898 -149341.3687 299.4208 134.5594 167.3137 555749.5007 6.4172 6.5164 PRESSURE: 2762000 -13.0607 39.3177 -0.158428 39.318 -180.994 -105.548 -0.158352 -105.548 -285.893 GPRESSURE: 2762000 -0.412625 108.888 -46.8337 5.43967 -149.494 -17.4097 55.0238 -102.126 -234.737 PRESSAVG: 2762000 7.21091 25.3289 16.8193 25.3289 60.4782 -0.376972 16.8193 -0.377005 -80.7312 GPRESSAVG: 2762000 6.37539 25.7501 17.6264 24.9373 61.5917 -0.220134 18.9273 0.628989 -80.7721 TIMING: 2762000 CPU: 8014.9, 0.00289328/step Wall: 8014.9, 0.00289328/step, 1.79866 hours remaining, 206.593750 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: 2762000 722.6038 2113.4358 1984.3406 104.6223 -205944.3744 17542.5296 0.0000 0.0000 33947.3801 -149529.4621 296.4709 -183476.8422 -149434.7931 298.3641 -159.9827 -128.2146 558141.6051 -4.3474 -4.2683 PRESSURE: 2762200 130.548 128.049 -12.8889 128.047 118.055 3.52462 -12.8906 3.52355 -111.676 GPRESSURE: 2762200 210.958 30.4738 71.0545 105.022 97.2313 -49.6484 -26.3114 57.2942 -56.7298 PRESSAVG: 2762200 19.1571 42.1303 17.1 42.1303 6.59421 54.8592 17.1 54.8592 -20.2802 GPRESSAVG: 2762200 18.4842 41.1402 15.7053 43.5431 5.70137 54.8114 17.3038 55.1967 -19.483 TIMING: 2762200 CPU: 8015.48, 0.00289721/step Wall: 8015.48, 0.00289721/step, 1.80094 hours remaining, 206.593750 MB of memory in use. ENERGY: 2762200 733.7936 2120.9648 1972.8078 112.5043 -206651.8180 18005.5908 0.0000 0.0000 34194.7279 -149511.4288 298.6311 -183706.1567 -149416.9661 298.1672 45.6425 83.8199 558030.9941 1.8237 1.5675 PRESSURE: 2762400 12.0297 29.6812 -149.043 29.6801 176.664 -24.4915 -149.042 -24.4894 197.077 GPRESSURE: 2762400 42.6351 117.286 -163.315 9.70111 195.897 72.9723 -171.497 -61.6438 250.394 PRESSAVG: 2762400 -18.9194 -2.97811 -59.9106 -2.97813 26.8024 45.5884 -59.9106 45.5884 -1.12251 GPRESSAVG: 2762400 -18.6597 -2.17859 -59.0446 -4.04998 27.5729 45.9502 -61.0666 45.1215 -2.57573 TIMING: 2762400 CPU: 8016.07, 0.0029106/step Wall: 8016.07, 0.0029106/step, 1.8091 hours remaining, 206.593750 MB of memory in use. ENERGY: 2762400 721.7837 2170.8086 1988.4868 117.2057 -206734.1587 18119.1477 0.0000 0.0000 34159.0141 -149457.7121 298.3192 -183616.7262 -149361.6561 298.4855 128.5903 162.9755 556578.6054 2.2535 2.1125 PRESSURE: 2762600 34.5663 -80.5904 -65.078 -80.5911 -178.012 187.978 -65.079 187.98 -162.462 GPRESSURE: 2762600 107.557 -45.2824 -174.549 -72.176 -153.238 142.726 -54.5696 156.286 -165.029 PRESSAVG: 2762600 36.2525 -49.0924 -49.5907 -49.0925 49.3993 18.9216 -49.5907 18.9215 -77.2831 GPRESSAVG: 2762600 36.235 -49.94 -48.6392 -48.6826 49.0257 17.4674 -49.7644 20.2291 -77.0518 TIMING: 2762600 CPU: 8016.65, 0.00290572/step Wall: 8016.65, 0.00290572/step, 1.80591 hours remaining, 206.660156 MB of memory in use. ENERGY: 2762600 722.6558 2095.5368 1961.7142 110.6231 -206480.6862 17870.8556 0.0000 0.0000 34242.2051 -149477.0956 299.0457 -183719.3008 -149379.4794 298.0363 -101.9695 -70.2365 557687.0100 2.7895 2.7363 PRESSURE: 2762800 -146.599 49.2292 -54.2855 49.23 7.30127 -81.5344 -54.2854 -81.5348 -97.53 GPRESSURE: 2762800 -130.357 60.1246 -17.0237 76.4741 5.40101 -116.014 -95.1369 -61.4069 -12.4646 PRESSAVG: 2762800 16.7721 39.4432 -34.8407 39.4432 17.6039 7.98749 -34.8407 7.98754 -5.37431 GPRESSAVG: 2762800 16.6102 38.7202 -36.4779 41.7353 16.5023 7.14617 -34.9743 7.32161 -4.46254 TIMING: 2762800 CPU: 8017.23, 0.0029186/step Wall: 8017.23, 0.0029186/step, 1.81375 hours remaining, 206.660156 MB of memory in use. ENERGY: 2762800 732.4633 2089.5371 1990.4032 118.8623 -206078.0104 17699.8864 0.0000 0.0000 33930.5227 -149516.3353 296.3237 -183446.8580 -149407.2681 297.8814 -78.9426 -45.8069 558429.5585 9.6672 9.5500 PRESSURE: 2763000 93.9467 46.2669 145.862 46.2677 181.755 14.3401 145.861 14.3408 521.942 GPRESSURE: 2763000 138.517 131.178 116.569 86.8109 219.421 131.508 149.081 -35.8587 537.586 PRESSAVG: 2763000 -1.89915 31.699 36.5512 31.6989 -3.18417 14.6402 36.5511 14.6403 -43.2912 GPRESSAVG: 2763000 -2.42563 33.9532 36.9113 28.7458 -2.90647 16.2349 35.3764 13.7245 -42.778 TIMING: 2763000 CPU: 8017.82, 0.00293096/step Wall: 8017.82, 0.00293096/step, 1.82127 hours remaining, 206.660156 MB of memory in use. ENERGY: 2763000 750.6320 2119.2713 1956.4745 113.2046 -206974.2869 18197.8812 0.0000 0.0000 34254.1715 -149582.6519 299.1502 -183836.8234 -149482.8073 298.4483 265.8810 298.5078 554963.8243 -16.1248 -16.0367 PRESSURE: 2763200 201.642 -43.9486 -20.65 -43.9485 -11.4721 147.381 -20.6495 147.381 265.495 GPRESSURE: 2763200 265.712 -48.8144 -105.727 -120.522 27.0764 199.716 17.3887 120.474 251.473 PRESSAVG: 2763200 -0.922321 5.03182 -18.4636 5.03193 3.89581 5.99494 -18.4635 5.99486 55.3656 GPRESSAVG: 2763200 -1.49381 3.7675 -19.817 5.07487 4.57055 6.23731 -17.1743 7.44956 54.6968 TIMING: 2763200 CPU: 8018.4, 0.00292488/step Wall: 8018.4, 0.00292488/step, 1.81732 hours remaining, 206.660156 MB of memory in use. ENERGY: 2763200 731.1827 2150.1635 1927.2759 112.4793 -206705.8713 17983.5036 0.0000 0.0000 34188.7191 -149612.5473 298.5786 -183801.2664 -149513.1876 298.4112 151.8881 181.4203 554627.4491 19.4463 19.2579 PRESSURE: 2763400 106.189 -1.8458 154.62 -1.84508 202.045 -254.695 154.621 -254.693 92.3948 GPRESSURE: 2763400 122.693 -32.8056 222.076 56.0518 250.916 -264.191 144.748 -258.632 121.894 PRESSAVG: 2763400 -13.7801 -32.1833 -61.3175 -32.1832 -3.22224 -78.3904 -61.3174 -78.3904 18.9724 GPRESSAVG: 2763400 -13.1751 -31.4244 -58.7866 -31.3003 -3.27874 -76.6595 -61.4403 -81.1052 18.7288 TIMING: 2763400 CPU: 8018.98, 0.00289893/step Wall: 8018.98, 0.00289893/step, 1.80104 hours remaining, 206.660156 MB of memory in use. ENERGY: 2763400 749.6261 2115.5711 1982.7977 116.4114 -206879.1790 18154.4870 0.0000 0.0000 34249.0749 -149511.2109 299.1057 -183760.2858 -149411.8547 298.8724 133.5429 165.1678 557115.0513 0.6567 0.7583 PRESSURE: 2763600 -138.57 -143.613 -1.4667 -143.613 64.9541 90.4793 -1.46667 90.478 98.1488 GPRESSURE: 2763600 -104.663 -115.088 -56.2129 -124.049 138.439 76.0279 31.9009 73.1532 86.4834 PRESSAVG: 2763600 20.3356 9.02357 -12.882 9.0235 -35.2525 -15.8622 -12.8821 -15.8622 54.3194 GPRESSAVG: 2763600 19.5769 7.09604 -15.622 8.48409 -35.3127 -18.0976 -13.3291 -13.8657 55.7485 TIMING: 2763600 CPU: 8019.56, 0.00291453/step Wall: 8019.56, 0.00291453/step, 1.81057 hours remaining, 206.660156 MB of memory in use. ENERGY: 2763600 725.5185 2102.2246 1960.9541 138.8241 -206392.6252 17828.1515 0.0000 0.0000 34334.0033 -149302.9492 299.8474 -183636.9525 -149203.5946 298.9772 8.1776 40.0863 557660.7252 13.1342 13.3376 PRESSURE: 2763800 210.277 54.1695 -36.9833 54.1704 178.341 55.3734 -36.9831 55.3737 -274.642 GPRESSURE: 2763800 235.527 -15.38 -14.0953 143.262 179.749 50.6918 33.1346 36.515 -197.476 PRESSAVG: 2763800 2.443 13.3131 25.4786 13.3132 59.7779 16.8701 25.4786 16.8701 -31.9465 GPRESSAVG: 2763800 3.02272 14.8344 28.1206 14.6631 60.7422 15.4393 25.9426 15.9415 -32.742 TIMING: 2763800 CPU: 8020.15, 0.00290505/step Wall: 8020.15, 0.00290505/step, 1.80452 hours remaining, 206.660156 MB of memory in use. ENERGY: 2763800 730.0059 2094.9696 1994.3601 115.8055 -206185.1409 17838.2227 0.0000 0.0000 34131.7118 -149280.0654 298.0807 -183411.7772 -149185.2733 299.3056 37.9920 72.6000 556281.0928 10.0915 10.3410 PRESSURE: 2764000 -105.665 -150.089 -138.419 -150.088 -38.1531 -61.0644 -138.42 -61.066 89.0655 GPRESSURE: 2764000 -130.828 -172.568 -176.356 -125.172 14.9743 -185.93 -96.0353 26.9384 172.64 PRESSAVG: 2764000 -0.175354 -48.343 3.21029 -48.3429 35.5781 -7.87265 3.21037 -7.87256 -13.5571 GPRESSAVG: 2764000 -0.491937 -46.3374 2.50997 -49.1818 35.6483 -7.14964 1.85514 -5.07715 -12.81 TIMING: 2764000 CPU: 8020.73, 0.00290037/step Wall: 8020.73, 0.00290037/step, 1.80145 hours remaining, 206.660156 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: 2764000 783.2099 2059.7044 1976.1346 109.6353 -205894.9294 17593.9489 0.0000 0.0000 34377.3986 -148994.8976 300.2264 -183372.2962 -148897.1316 299.6263 -18.2507 18.9288 555761.1425 7.2819 7.4488 PRESSURE: 2764200 127.32 135.45 75.2771 135.452 216.349 -17.468 75.2774 -17.4664 130.903 GPRESSURE: 2764200 136.287 131.592 46.4841 76.1137 219.714 15.251 73.8128 -70.2803 199.83 PRESSAVG: 2764200 -30.5174 -13.2815 2.72245 -13.2815 -26.1862 69.7204 2.72256 69.7203 66.1475 GPRESSAVG: 2764200 -31.5973 -14.1375 2.97347 -12.4515 -26.3186 70.9593 3.029 69.3083 66.7885 TIMING: 2764200 CPU: 8021.3, 0.00288955/step Wall: 8021.3, 0.00288956/step, 1.79457 hours remaining, 206.660156 MB of memory in use. ENERGY: 2764200 733.3263 2132.4633 1970.2907 115.6094 -205884.5664 17814.2795 0.0000 0.0000 34148.6564 -148969.9408 298.2287 -183118.5972 -148875.0448 300.2309 158.1904 185.2771 556537.0830 3.1480 2.9575 LDB: ============= START OF LOAD BALANCING ============== 8024.77 LDB: ============== END OF LOAD BALANCING =============== 8024.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8024.77 LDB: ============= START OF LOAD BALANCING ============== 8025.07 LDB: Largest compute 4821 load 0.032799 is 27.9% of average load 0.117693 LDB: Average compute 0.001720 is 1.5% of average load 0.117693 LDB: TIME 8025.07 LOAD: AVG 0.117693 MAX 0.177218 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 8025.07 LOAD: AVG 0.117693 MAX 0.177218 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.656 MB LDB: TIME 8025.07 LOAD: AVG 0.117693 MAX 0.177218 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.656 MB LDB: ============== END OF LOAD BALANCING =============== 8025.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8025.07 PRESSURE: 2764400 66.1585 51.9953 88.211 51.9951 -109.511 24.5164 88.211 24.5167 -126.158 GPRESSURE: 2764400 80.8752 18.3198 64.3127 3.83393 -90.2647 -10.9489 50.2898 2.5517 -45.7792 PRESSAVG: 2764400 -3.96264 59.7755 34.4293 59.7754 38.142 34.6198 34.4293 34.62 13.3432 GPRESSAVG: 2764400 -3.21171 59.3288 34.7417 57.4906 38.1255 34.4695 34.0765 33.2032 12.6122 TIMING: 2764400 CPU: 8021.9, 0.00297684/step Wall: 8021.9, 0.00297684/step, 1.84862 hours remaining, 206.648438 MB of memory in use. ENERGY: 2764400 744.5011 2157.6058 1987.3626 126.7218 -205930.3072 17622.7394 0.0000 0.0000 34233.4277 -149057.9489 298.9690 -183291.3765 -148962.4754 299.6591 -56.5036 -18.3896 558133.0242 15.8408 15.8420 PRESSURE: 2764600 -22.9159 -159.577 -39.0034 -159.577 -164.417 -51.6547 -39.0035 -51.6541 -300.733 GPRESSURE: 2764600 -21.7508 -116.054 -18.6028 -152.981 -140.541 2.73562 -150.243 -130.713 -219.791 PRESSAVG: 2764600 53.7925 -21.6484 -59.4322 -21.6484 38.1042 21.7588 -59.4322 21.7588 -117.06 GPRESSAVG: 2764600 54.608 -22.2398 -60.7723 -18.1924 37.6217 20.9887 -57.9877 22.8313 -117.236 TIMING: 2764600 CPU: 8022.48, 0.00290406/step Wall: 8022.48, 0.00290406/step, 1.80326 hours remaining, 207.156250 MB of memory in use. ENERGY: 2764600 730.5224 2058.3510 1982.5075 121.7386 -205816.5848 17462.4948 0.0000 0.0000 34163.8509 -149297.1197 298.3614 -183460.9706 -149199.2119 298.7967 -162.6887 -127.3609 558268.7318 -8.3876 -8.3355 PRESSURE: 2764800 -168.621 157.735 -96.7069 157.737 -301.215 170.027 -96.7077 170.025 -218.638 GPRESSURE: 2764800 -111.474 177.029 -33.3211 140.586 -278.196 211.951 -131.8 103.568 -203.32 PRESSAVG: 2764800 48.3531 -41.2258 -46.5521 -41.2258 50.2301 -45.4444 -46.5521 -45.4445 -65.4555 GPRESSAVG: 2764800 46.8174 -42.3718 -44.6325 -43.4682 50.4882 -46.1652 -46.7617 -46.8388 -64.9151 TIMING: 2764800 CPU: 8023.06, 0.00290075/step Wall: 8023.06, 0.00290075/step, 1.80104 hours remaining, 207.156250 MB of memory in use. ENERGY: 2764800 770.3648 2075.2153 1972.8780 122.4827 -206085.8779 17625.2299 0.0000 0.0000 34130.9501 -149388.7573 298.0741 -183519.7074 -149293.4010 298.6498 -229.4913 -197.6636 557244.1305 11.0426 10.7968 PRESSURE: 2765000 31.4004 -147.232 -47.9337 -147.232 140.181 -90.0815 -47.9341 -90.0815 -78.244 GPRESSURE: 2765000 30.9031 -136.168 -40.647 -93.3291 200.459 -119.247 -29.301 -46.6784 -34.8263 PRESSAVG: 2765000 17.7438 36.289 33.9071 36.2891 55.6469 48.8278 33.9071 48.8276 -38.9058 GPRESSAVG: 2765000 17.7931 37.1138 32.5105 36.0947 56.3603 49.3392 33.7691 49.8742 -39.1492 TIMING: 2765000 CPU: 8023.64, 0.00290171/step Wall: 8023.64, 0.00290171/step, 1.80148 hours remaining, 207.156250 MB of memory in use. ENERGY: 2765000 740.6544 2124.6801 1979.1096 128.3782 -206450.8182 17828.0533 0.0000 0.0000 34275.4308 -149374.5118 299.3359 -183649.9426 -149284.1764 298.6432 31.1124 65.5120 557774.7837 11.4950 11.6681 PRESSURE: 2765200 -64.7045 -86.8063 -14.6086 -86.8063 -134.327 86.5042 -14.6086 86.5017 -265.937 GPRESSURE: 2765200 -83.9114 -138.821 55.3411 -105.392 -121.195 161.181 -5.39907 0.53881 -172.418 PRESSAVG: 2765200 -46.8684 -14.6597 -19.9341 -14.6597 101.871 -5.32655 -19.9342 -5.3266 -5.63899 GPRESSAVG: 2765200 -45.7693 -15.0577 -19.8831 -13.9764 101.32 -5.6392 -19.5678 -5.28141 -6.19648 TIMING: 2765200 CPU: 8024.23, 0.00292909/step Wall: 8024.23, 0.00292909/step, 1.81831 hours remaining, 207.156250 MB of memory in use. ENERGY: 2765200 735.8475 2115.6947 1977.6225 111.7646 -205797.6004 17406.2665 0.0000 0.0000 34095.0254 -149355.3792 297.7603 -183450.4046 -149258.4658 298.6077 -154.9897 -125.8416 558501.9661 16.4546 16.4514 PRESSURE: 2765400 -42.6896 -27.9779 -76.107 -27.9791 -35.0879 80.0781 -76.1068 80.0781 -97.7805 GPRESSURE: 2765400 -44.8542 11.2093 -79.9581 -40.016 51.9767 -37.8462 -114.478 127.27 -72.9961 PRESSAVG: 2765400 2.29541 3.5794 -7.7358 3.57946 2.69297 7.10549 -7.73584 7.10535 -26.6854 GPRESSAVG: 2765400 2.00915 4.53885 -7.84085 3.99751 3.65203 5.90625 -9.2165 7.56438 -27.7305 TIMING: 2765400 CPU: 8024.81, 0.00291063/step Wall: 8024.81, 0.00291063/step, 1.80669 hours remaining, 207.218750 MB of memory in use. ENERGY: 2765400 765.9925 2088.7993 1980.0376 94.5187 -206287.0053 17712.7377 0.0000 0.0000 34273.4154 -149371.5041 299.3183 -183644.9195 -149269.8432 298.1980 -58.5193 -21.9579 557249.5003 -7.2323 -7.3564 PRESSURE: 2765600 55.513 -121.55 33.0317 -121.55 -298.192 297.802 33.0335 297.801 74.3645 GPRESSURE: 2765600 76.4805 -104.924 77.0213 -214.293 -217.396 180.068 -20.7981 260.483 67.4514 PRESSAVG: 2765600 -25.1253 -34.641 -39.8938 -34.641 37.9457 6.96831 -39.8937 6.96833 -43.9101 GPRESSAVG: 2765600 -25.8626 -35.4619 -41.9404 -36.0255 37.359 8.5134 -37.533 5.06488 -43.0697 TIMING: 2765600 CPU: 8025.39, 0.002892/step Wall: 8025.39, 0.002892/step, 1.79497 hours remaining, 207.218750 MB of memory in use. ENERGY: 2765600 726.8082 2057.0903 1968.1673 111.4848 -206030.2419 17590.4471 0.0000 0.0000 34131.0992 -149445.1451 298.0754 -183576.2443 -149346.1743 298.1958 -56.1047 -24.4880 557376.8472 -10.3632 -10.5244 PRESSURE: 2765800 111.561 98.1708 87.023 98.1696 180.771 -172.401 87.0221 -172.402 3.11542 GPRESSURE: 2765800 203.843 44.0356 78.9724 122.375 178.302 -218.648 60.6653 -149.041 16.8424 PRESSAVG: 2765800 -11.262 -24.3641 -22.2739 -24.3642 -1.28333 31.112 -22.2739 31.112 -7.03996 GPRESSAVG: 2765800 -9.76131 -23.7347 -20.0877 -25.0234 -2.26732 29.5365 -25.6108 31.3916 -7.38051 TIMING: 2765800 CPU: 8025.97, 0.00290243/step Wall: 8025.97, 0.00290243/step, 1.80128 hours remaining, 207.218750 MB of memory in use. ENERGY: 2765800 769.1085 2104.8393 1975.8441 118.4967 -206916.1266 18262.8681 0.0000 0.0000 34183.5743 -149501.3957 298.5337 -183684.9700 -149410.8737 298.2655 98.4826 132.9957 556884.0788 -6.5284 -6.4697 PRESSURE: 2766000 -151.595 -113.912 9.92716 -113.911 15.9939 -63.1861 9.92552 -63.186 -167.43 GPRESSURE: 2766000 -129.733 -100.617 20.4885 -122.375 89.0778 5.13958 -10.6431 -135.604 -168.16 PRESSAVG: 2766000 -74.8941 -84.88 0.409119 -84.88 13.9685 -25.6394 0.409059 -25.6394 43.5221 GPRESSAVG: 2766000 -76.1558 -88.1097 -1.43638 -80.6212 14.8089 -23.5311 2.15601 -25.357 43.5451 TIMING: 2766000 CPU: 8026.55, 0.0028965/step Wall: 8026.55, 0.0028965/step, 1.79744 hours remaining, 207.218750 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: 2766000 742.3614 2070.3873 1974.2119 114.8619 -206210.3976 17614.1207 0.0000 0.0000 34161.3269 -149533.1274 298.3394 -183694.4543 -149430.0481 297.8432 -101.0102 -69.6051 556534.4048 -5.8012 -5.9339 PRESSURE: 2766200 -66.5754 -129.339 79.2575 -129.339 344.224 10.4338 79.2577 10.4352 -146.745 GPRESSURE: 2766200 -42.0269 -87.4585 110.635 -118.733 376.676 -46.628 132.096 72.576 -113.577 PRESSAVG: 2766200 -1.15621 -9.09731 17.1916 -9.09721 24.3198 15.93 17.1915 15.93 -12.2028 GPRESSAVG: 2766200 -1.47118 -7.438 17.6379 -10.9018 23.7699 14.9731 17.525 16.0806 -11.2976 TIMING: 2766200 CPU: 8027.12, 0.00288881/step Wall: 8027.12, 0.00288881/step, 1.79251 hours remaining, 207.218750 MB of memory in use. ENERGY: 2766200 747.0266 2045.4625 1980.3328 108.9605 -206342.4726 17811.9280 0.0000 0.0000 34269.8588 -149378.9033 299.2872 -183648.7622 -149276.2674 298.9268 43.6344 73.6907 555651.9096 3.6536 3.6671 PRESSURE: 2766400 -48.3669 -76.5897 155.324 -76.5895 64.2528 -18.6885 155.323 -18.691 31.8978 GPRESSURE: 2766400 9.67683 -106.2 84.3939 -97.0021 75.2114 -20.3118 159.644 28.3463 61.5006 PRESSAVG: 2766400 26.0423 18.4961 -4.36816 18.4962 -18.863 42.0078 -4.36821 42.0078 -23.6604 GPRESSAVG: 2766400 26.4233 19.1281 -4.45112 16.9786 -19.4648 43.3223 -4.97405 40.9215 -23.5539 TIMING: 2766400 CPU: 8027.7, 0.00289497/step Wall: 8027.7, 0.00289497/step, 1.79617 hours remaining, 207.218750 MB of memory in use. ENERGY: 2766400 703.5280 2112.1119 1961.5069 116.4919 -206491.5242 17908.7895 0.0000 0.0000 34139.7820 -149549.3140 298.1512 -183689.0960 -149456.5366 298.3474 15.9279 48.7963 557420.8408 -5.4937 -5.5318 PRESSURE: 2766600 15.4866 69.7311 -123.7 69.7309 -100.972 -245.037 -123.701 -245.037 -65.0524 GPRESSURE: 2766600 41.2103 60.4698 -131.751 99.0847 -38.3329 -182.992 -114.264 -205.153 -62.7941 PRESSAVG: 2766600 -7.00731 -28.1439 29.21 -28.1439 11.7016 -25.5598 29.21 -25.5598 0.893956 GPRESSAVG: 2766600 -6.88684 -29.5392 29.351 -27.498 11.6918 -27.879 30.4731 -23.528 0.995465 TIMING: 2766600 CPU: 8028.28, 0.00289527/step Wall: 8028.28, 0.00289527/step, 1.79619 hours remaining, 207.218750 MB of memory in use. ENERGY: 2766600 719.6492 2059.9372 1967.5671 124.9217 -206262.6146 17665.6702 0.0000 0.0000 34250.4908 -149474.3784 299.1181 -183724.8692 -149382.5515 298.1022 -50.1792 -19.9722 556241.0561 1.8628 1.9335 PRESSURE: 2766800 86.2665 88.5132 -194.997 88.5125 5.15951 -146.14 -194.995 -146.14 73.421 GPRESSURE: 2766800 105.167 28.1977 -152.329 71.1154 40.2336 -127.877 -213.098 -78.1878 119.042 PRESSAVG: 2766800 -29.158 31.0769 -39.9332 31.0769 42.8048 -22.0713 -39.9332 -22.0714 16.4644 GPRESSAVG: 2766800 -27.7703 33.2225 -38.3268 30.8137 41.5792 -20.6078 -41.5431 -23.8439 16.7077 TIMING: 2766800 CPU: 8028.86, 0.0028805/step Wall: 8028.86, 0.0028805/step, 1.78687 hours remaining, 207.218750 MB of memory in use. ENERGY: 2766800 758.4021 2048.7530 1956.0972 115.3330 -206557.5043 18137.8189 0.0000 0.0000 34060.5448 -149480.5553 297.4592 -183541.1000 -149387.8327 298.3535 54.9490 88.1476 556455.5740 10.0371 10.1722 PRESSURE: 2767000 -147.672 61.7793 144.506 61.7785 -63.9472 245.88 144.506 245.881 89.8086 GPRESSURE: 2767000 -175.945 105.96 236.8 53.4635 42.1011 269.525 75.5538 195.132 121.213 PRESSAVG: 2767000 26.564 0.781304 77.4072 0.781306 -27.9939 36.0835 77.4072 36.0834 54.0455 GPRESSAVG: 2767000 25.0386 0.594244 75.2824 0.977956 -25.5465 35.7388 78.4298 36.1106 52.9761 TIMING: 2767000 CPU: 8029.44, 0.00289131/step Wall: 8029.44, 0.00289131/step, 1.79341 hours remaining, 207.218750 MB of memory in use. ENERGY: 2767000 732.5569 2023.8619 1974.0772 128.1123 -206431.0397 17885.5561 0.0000 0.0000 34107.5802 -149579.2951 297.8700 -183686.8753 -149483.3539 298.1754 -40.6034 -4.2103 557112.0950 17.5385 17.4894 PRESSURE: 2767200 -279.779 -246.68 -7.51764 -246.68 104.573 118.982 -7.51827 118.982 -106.262 GPRESSURE: 2767200 -193.499 -366.264 -20.4853 -146.093 117.322 68.3048 4.90124 120.69 -107.485 PRESSAVG: 2767200 17.4335 -82.2529 18.6741 -82.2529 18.644 -24.312 18.6741 -24.312 -42.6058 GPRESSAVG: 2767200 17.4347 -83.2199 19.6323 -82.285 18.2783 -24.9049 19.0736 -24.4529 -42.1683 TIMING: 2767200 CPU: 8030.02, 0.00290387/step Wall: 8030.02, 0.00290387/step, 1.80105 hours remaining, 207.218750 MB of memory in use. ENERGY: 2767200 770.1985 2085.8430 1973.0045 124.5543 -206331.5863 17744.7810 0.0000 0.0000 34144.3508 -149488.8542 298.1911 -183633.2050 -149392.3177 298.4037 -93.8224 -61.2208 556389.5127 -2.1761 -2.1518 PRESSURE: 2767400 -75.7512 119.455 143.259 119.456 -50.1843 -46.3187 143.259 -46.3192 -365.352 GPRESSURE: 2767400 -63.7941 18.5561 154.782 185.191 -4.93022 -96.1569 92.5621 7.90894 -341.89 PRESSAVG: 2767400 -1.66362 -5.11803 21.6738 -5.11807 16.6404 -4.44867 21.674 -4.44878 -22.1446 GPRESSAVG: 2767400 -1.56632 -5.25388 21.8168 -5.96618 17.202 -5.91909 20.8608 -2.81278 -22.5545 TIMING: 2767400 CPU: 8030.6, 0.00289426/step Wall: 8030.6, 0.00289426/step, 1.79492 hours remaining, 207.218750 MB of memory in use. ENERGY: 2767400 710.7035 2061.0961 1960.7127 112.9321 -205921.9852 17466.5029 0.0000 0.0000 34165.5998 -149444.4382 298.3767 -183610.0379 -149344.1794 298.5160 -163.7624 -136.8714 556849.7439 -2.3893 -2.3063 PRESSURE: 2767600 -69.9905 -9.15847 127.595 -9.15839 118.248 -7.85204 127.597 -7.85137 -161.483 GPRESSURE: 2767600 -21.2164 -5.7906 143.957 -47.7036 162.723 -49.2432 123.868 1.05169 -166.628 PRESSAVG: 2767600 -8.18346 -0.573502 49.0268 -0.573432 13.0612 44.2299 49.0269 44.23 11.5145 GPRESSAVG: 2767600 -6.91506 -1.34658 48.6588 1.77922 11.9336 45.7818 51.176 42.8688 11.0213 TIMING: 2767600 CPU: 8031.18, 0.00290168/step Wall: 8031.18, 0.00290168/step, 1.79936 hours remaining, 207.218750 MB of memory in use. ENERGY: 2767600 727.8621 2047.5359 1979.0523 112.4627 -205858.8536 17582.5310 0.0000 0.0000 33962.8126 -149446.5971 296.6057 -183409.4097 -149350.0899 298.4023 -37.7418 -8.3736 556676.0702 5.4641 5.3466 PRESSURE: 2767800 -52.6202 78.6717 61.3739 78.6713 53.3691 -117.997 61.3739 -117.996 36.6482 GPRESSURE: 2767800 -13.7494 97.7253 -22.7642 96.0601 102.402 -148.456 88.54 -74.3677 54.4659 PRESSAVG: 2767800 15.2683 24.2089 14.8759 24.2089 -3.4096 -60.592 14.8759 -60.592 -11.3272 GPRESSAVG: 2767800 15.0114 28.3785 13.5831 22.0565 -3.13841 -60.5649 13.9868 -61.1893 -11.0638 TIMING: 2767800 CPU: 8031.75, 0.00288004/step Wall: 8031.75, 0.00288004/step, 1.78578 hours remaining, 207.218750 MB of memory in use. ENERGY: 2767800 706.8904 2077.8967 1952.4593 110.3041 -206331.5196 17873.1310 0.0000 0.0000 34156.9790 -149453.8591 298.3014 -183610.8381 -149354.5625 298.2750 12.4657 47.7061 557945.9179 0.1771 0.2697 PRESSURE: 2768000 -478.589 -138.554 -28.4386 -138.554 -71.502 61.7154 -28.4377 61.7149 -234.92 GPRESSURE: 2768000 -396.016 -75.9858 52.4487 -146.552 -45.6029 96.2495 -63.0035 144.702 -232.786 PRESSAVG: 2768000 -38.4701 -57.2123 -5.17024 -57.2123 48.4531 36.0336 -5.17032 36.0336 1.0519 GPRESSAVG: 2768000 -39.0143 -59.768 -3.02094 -56.7006 47.5561 35.2642 -5.0411 37.1348 1.5968 TIMING: 2768000 CPU: 8032.33, 0.00288562/step Wall: 8032.33, 0.00288562/step, 1.78908 hours remaining, 207.218750 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: 2768000 743.4576 2065.7608 1944.8867 108.3449 -206006.0791 17651.7715 0.0000 0.0000 34059.0077 -149432.8498 297.4458 -183491.8576 -149336.1759 298.0049 -261.6703 -224.8017 559648.6168 3.6783 3.3795 PRESSURE: 2768200 -10.0754 78.2132 -72.989 78.2131 -119.963 -42.8897 -72.9891 -42.8907 111.096 GPRESSURE: 2768200 33.3752 124.5 -69.8726 32.4699 -106.094 -39.9082 -56.642 -14.8833 148.18 PRESSAVG: 2768200 -19.7702 28.7358 -47.1561 28.7358 -43.0476 65.3986 -47.1562 65.3986 43.3393 GPRESSAVG: 2768200 -20.5847 28.5754 -48.9634 27.0913 -42.4588 66.7345 -46.3403 63.3915 43.9171 TIMING: 2768200 CPU: 8032.91, 0.00290042/step Wall: 8032.91, 0.00290042/step, 1.7981 hours remaining, 207.218750 MB of memory in use. ENERGY: 2768200 718.8881 2098.3237 1959.7317 105.6827 -206361.7040 17868.3929 0.0000 0.0000 34368.5464 -149242.1385 300.1491 -183610.6850 -149141.8592 298.7255 -6.3141 25.1537 558020.6426 -6.4928 -6.3755 LDB: ============= START OF LOAD BALANCING ============== 8036.38 LDB: ============== END OF LOAD BALANCING =============== 8036.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8036.38 LDB: ============= START OF LOAD BALANCING ============== 8036.67 LDB: Largest compute 4821 load 0.030241 is 25.7% of average load 0.117808 LDB: Average compute 0.001720 is 1.5% of average load 0.117808 LDB: TIME 8036.67 LOAD: AVG 0.117808 MAX 0.181951 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.621 MB LDB: TIME 8036.67 LOAD: AVG 0.117808 MAX 0.181951 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: TIME 8036.67 LOAD: AVG 0.117808 MAX 0.181951 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8036.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8036.68 PRESSURE: 2768400 -69.7136 35.2779 -104.055 35.2779 136.078 -131.091 -104.057 -131.09 181.761 GPRESSURE: 2768400 -34.6875 76.2975 -58.833 40.3184 128.492 -49.7604 -171.003 -167.7 257.897 PRESSAVG: 2768400 -96.8442 19.5452 -27.5052 19.5452 5.11242 -3.53462 -27.5052 -3.53463 72.1857 GPRESSAVG: 2768400 -96.3266 18.677 -26.6475 19.8902 5.19353 -3.73704 -28.386 -4.10074 71.3315 TIMING: 2768400 CPU: 8033.5, 0.00295995/step Wall: 8033.5, 0.00295995/step, 1.83484 hours remaining, 208.578125 MB of memory in use. ENERGY: 2768400 740.4721 2075.2550 1988.2281 112.7939 -206404.1231 17837.7291 0.0000 0.0000 34368.2784 -149281.3665 300.1467 -183649.6449 -149188.5527 299.5894 82.7087 117.2336 557007.6997 -6.5154 -6.6005 PRESSURE: 2768600 -325.945 -2.21581 -28.6093 -2.21523 -233.3 -50.6495 -28.6094 -50.6503 -582.335 GPRESSURE: 2768600 -278.859 -139.431 -19.3111 108.552 -236.006 -37.7846 -25.1245 -91.2015 -516.111 PRESSAVG: 2768600 19.6038 -27.5816 -3.4389 -27.5816 21.3288 -69.6432 -3.43893 -69.6432 29.1932 GPRESSAVG: 2768600 19.9126 -28.4043 -3.27467 -25.7379 21.3933 -67.7486 -4.05242 -69.2923 29.5467 TIMING: 2768600 CPU: 8034.08, 0.00290627/step Wall: 8034.08, 0.00290627/step, 1.80141 hours remaining, 208.781250 MB of memory in use. ENERGY: 2768600 779.0465 2106.3218 1974.9572 108.6481 -205756.9796 17328.8324 0.0000 0.0000 34407.0945 -149052.0789 300.4857 -183459.1735 -148953.5615 299.2720 -380.5267 -343.6587 559339.1157 23.3752 23.6175 PRESSURE: 2768800 -3.96009 66.1759 61.4867 66.1764 -156.001 62.0302 61.487 62.0294 -179.309 GPRESSURE: 2768800 -9.96839 102.861 34.653 60.1932 -124.331 20.7806 -11.4287 22.7145 -115.968 PRESSAVG: 2768800 21.6417 -8.83413 33.6051 -8.83416 -0.15402 15.6507 33.605 15.6506 -9.00926 GPRESSAVG: 2768800 21.4773 -9.45627 32.9176 -10.2696 0.468963 15.2881 34.6206 15.3806 -9.23352 TIMING: 2768800 CPU: 8034.66, 0.00288488/step Wall: 8034.66, 0.00288488/step, 1.78799 hours remaining, 208.781250 MB of memory in use. ENERGY: 2768800 759.9785 2123.0198 1978.0204 108.9366 -206046.8682 17853.7139 0.0000 0.0000 34313.9775 -148909.2214 299.6725 -183223.1990 -148818.7988 300.1228 -113.0902 -83.4225 559408.1678 4.1595 4.2376 PRESSURE: 2769000 11.9111 -0.79433 60.6311 -0.79471 108.396 -16.3975 60.6312 -16.3979 -113.631 GPRESSURE: 2769000 114.831 81.1256 54.7852 33.0446 165.346 -25.613 13.4592 -0.351816 -170.836 PRESSAVG: 2769000 -9.80025 1.94398 35.5842 1.9441 -6.90499 -8.22016 35.5841 -8.2201 1.96466 GPRESSAVG: 2769000 -9.78497 4.11256 36.348 2.13973 -7.70014 -12.085 34.9988 -5.5653 3.15345 TIMING: 2769000 CPU: 8035.24, 0.00287448/step Wall: 8035.24, 0.00287448/step, 1.78138 hours remaining, 208.781250 MB of memory in use. ENERGY: 2769000 751.0665 2098.7807 1987.0854 102.8765 -206369.9350 17969.8522 0.0000 0.0000 34311.3787 -149148.8950 299.6498 -183460.2737 -149050.9247 299.7010 2.2254 36.4471 557983.8190 -4.9135 -4.7772 PRESSURE: 2769200 -1.72316 52.7714 62.269 52.7715 -177.124 83.9721 62.2694 83.9734 -196.221 GPRESSURE: 2769200 7.46845 156.527 55.2616 101.558 -149.712 72.7236 15.4923 118.414 -146.676 PRESSAVG: 2769200 25.6539 -33.3186 53.4078 -33.3186 -39.3499 18.277 53.4077 18.2772 28.3219 GPRESSAVG: 2769200 25.3136 -32.3837 52.155 -34.3403 -38.5516 18.6896 55.2312 17.5155 28.0793 TIMING: 2769200 CPU: 8035.81, 0.00288621/step Wall: 8035.81, 0.00288621/step, 1.78849 hours remaining, 208.949219 MB of memory in use. ENERGY: 2769200 756.0068 2077.0490 1967.6482 119.8778 -205721.1328 17582.6486 0.0000 0.0000 34407.3503 -148810.5521 300.4879 -183217.9024 -148726.5475 299.3533 -125.0229 -96.3066 560734.5125 4.8753 4.9471 PRESSURE: 2769400 246.089 -130.807 9.28215 -130.806 79.8268 -150.376 9.28379 -150.375 243.687 GPRESSURE: 2769400 280.133 -139.018 -70.4008 -162.405 98.7211 -111.186 29.822 -142.952 290.217 PRESSAVG: 2769400 14.5382 -22.6363 59.2819 -22.6363 -30.3516 -26.0098 59.2819 -26.0098 23.536 GPRESSAVG: 2769400 14.4788 -22.7329 58.7244 -22.431 -29.7058 -24.9007 57.9301 -27.1926 23.3795 TIMING: 2769400 CPU: 8036.39, 0.00291268/step Wall: 8036.39, 0.00291268/step, 1.80473 hours remaining, 209.027344 MB of memory in use. ENERGY: 2769400 789.7175 2114.1818 1994.1229 115.6759 -206307.3732 18123.6172 0.0000 0.0000 34262.1999 -148907.8579 299.2203 -183170.0578 -148810.1828 299.9338 189.8677 223.0238 559395.6142 2.5742 2.7175 PRESSURE: 2769600 -19.8311 130.835 -54.3282 130.835 -202.553 -256.52 -54.3277 -256.52 101.025 GPRESSURE: 2769600 -29.9557 130.885 -82.113 101.035 -136.468 -208.236 -37.4439 -253.369 133.916 PRESSAVG: 2769600 97.1997 10.1798 27.8076 10.1798 -10.8123 -21.0196 27.8075 -21.0196 -39.7109 GPRESSAVG: 2769600 96.8094 8.9677 29.231 13.1942 -10.57 -21.1389 26.6676 -21.101 -39.5949 TIMING: 2769600 CPU: 8036.98, 0.00290743/step Wall: 8036.98, 0.00290743/step, 1.80132 hours remaining, 209.027344 MB of memory in use. ENERGY: 2769600 718.5126 2085.5755 1998.1200 114.6286 -205996.8153 17658.7270 0.0000 0.0000 34363.9246 -149057.3272 300.1087 -183421.2518 -148957.9373 299.6419 -40.4531 -10.8361 560105.8353 15.5588 15.5482 PRESSURE: 2769800 211.508 -17.4045 -72.5523 -17.4043 -250.901 -4.43229 -72.5515 -4.43374 101.919 GPRESSURE: 2769800 174.549 -78.9208 -96.1427 -48.9975 -212.97 -48.2794 -87.1644 53.3641 191.543 PRESSAVG: 2769800 68.1393 -55.264 -50.7512 -55.264 -40.5452 -36.8146 -50.7512 -36.8146 -41.4768 GPRESSAVG: 2769800 68.092 -56.9744 -50.7352 -55.2951 -40.7286 -36.1419 -49.4271 -34.9274 -41.2244 TIMING: 2769800 CPU: 8037.56, 0.00290148/step Wall: 8037.56, 0.00290148/step, 1.79747 hours remaining, 209.027344 MB of memory in use. ENERGY: 2769800 748.8427 2089.6892 1988.2278 114.4393 -206202.0792 17748.2199 0.0000 0.0000 34252.3233 -149260.3371 299.1341 -183512.6604 -149166.0736 299.3018 20.8419 51.0405 557093.4315 -4.6276 -4.6203 PRESSURE: 2770000 42.5267 23.8108 223.913 23.8104 -194.333 70.7797 223.913 70.7793 353.033 GPRESSURE: 2770000 42.9858 -0.345103 209.646 42.1124 -87.4816 65.6388 228.635 48.6475 346.5 PRESSAVG: 2770000 47.8077 -29.4011 -9.83999 -29.401 -28.7857 -9.5687 -9.83994 -9.56881 -57.8247 GPRESSAVG: 2770000 48.7433 -28.6224 -10.9164 -31.1377 -29.747 -10.158 -10.2994 -11.6114 -57.8453 TIMING: 2770000 CPU: 8038.14, 0.00289912/step Wall: 8038.14, 0.00289912/step, 1.79584 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2770000 719.4730 2141.2329 1962.0803 117.8333 -206547.1989 18042.0064 0.0000 0.0000 34300.4174 -149264.1556 299.5541 -183564.5730 -149168.1744 299.0433 67.0758 100.6681 557139.7232 -12.9342 -12.9497 PRESSURE: 2770200 63.1476 143.919 95.5855 143.919 156.214 66.6559 95.5852 66.6544 -53.4052 GPRESSURE: 2770200 60.948 187.276 174.703 125.083 169.865 92.8007 -40.729 77.5611 38.13 PRESSAVG: 2770200 -6.16611 -6.95496 56.0354 -6.95503 -41.3449 -34.3658 56.0354 -34.366 40.5191 GPRESSAVG: 2770200 -7.1018 -6.76972 56.0138 -5.72351 -39.5722 -33.2276 56.5626 -31.5073 39.8068 TIMING: 2770200 CPU: 8038.72, 0.00291262/step Wall: 8038.72, 0.00291262/step, 1.80404 hours remaining, 209.027344 MB of memory in use. ENERGY: 2770200 752.0509 2132.5926 1975.2104 122.4571 -206141.8161 17798.5800 0.0000 0.0000 33997.6061 -149363.3190 296.9095 -183360.9251 -149271.7157 299.0039 55.3189 89.6477 556245.3352 -2.3306 -2.2890 PRESSURE: 2770400 152.094 70.3165 225.692 70.3163 -217.237 -130.415 225.69 -130.415 -116.088 GPRESSURE: 2770400 135.122 81.8729 247.66 45.6471 -166.113 -30.1454 159.953 -126.745 -42.763 PRESSAVG: 2770400 -13.9074 -10.2234 54.7527 -10.2234 57.6031 -38.8508 54.7527 -38.8509 -12.7821 GPRESSAVG: 2770400 -14.0009 -9.36435 53.1454 -11.2608 57.3152 -39.2875 54.4873 -41.4309 -12.7748 TIMING: 2770400 CPU: 8039.3, 0.00288783/step Wall: 8039.3, 0.00288783/step, 1.78853 hours remaining, 209.027344 MB of memory in use. ENERGY: 2770400 757.1311 2083.8333 1970.2376 117.9772 -205983.3385 17675.9188 0.0000 0.0000 34079.2547 -149298.9858 297.6226 -183378.2405 -149209.2306 299.0784 -60.4102 -24.5847 556786.7111 10.3045 10.1799 PRESSURE: 2770600 -177.736 0.499131 -15.011 0.499949 -354.69 -53.913 -15.0112 -53.9127 147.548 GPRESSURE: 2770600 -157.773 -17.4541 7.81775 2.11247 -258.909 -139.556 26.9605 -0.508557 117.434 PRESSAVG: 2770600 90.2559 18.6065 61.5217 18.6065 -87.6938 -51.695 61.5218 -51.6949 6.98612 GPRESSAVG: 2770600 90.0763 17.9081 61.5455 19.6338 -88.7214 -52.051 61.4024 -50.9463 7.48718 TIMING: 2770600 CPU: 8039.87, 0.00287689/step Wall: 8039.87, 0.00287689/step, 1.7816 hours remaining, 209.027344 MB of memory in use. ENERGY: 2770600 722.8169 2066.8114 1965.6556 109.6253 -205895.8164 17357.3857 0.0000 0.0000 34132.4607 -149541.0608 298.0873 -183673.5214 -149443.1052 298.8453 -128.2927 -99.7494 557232.6653 3.1828 2.9474 PRESSURE: 2770800 29.6111 -36.8226 -23.598 -36.8235 32.6175 179.229 -23.5973 179.228 -150.914 GPRESSURE: 2770800 93.7064 0.47437 -52.0892 -34.843 21.1236 126.049 1.28918 267.317 -108.145 PRESSAVG: 2770800 -32.1579 9.78183 62.7089 9.78195 -41.929 -43.1977 62.7088 -43.1978 56.4728 GPRESSAVG: 2770800 -31.3609 11.6315 64.1493 8.32087 -42.126 -41.9868 63.433 -42.7779 55.8645 TIMING: 2770800 CPU: 8040.45, 0.00290005/step Wall: 8040.45, 0.00290005/step, 1.79578 hours remaining, 209.027344 MB of memory in use. ENERGY: 2770800 727.1955 2049.4691 1969.7100 113.1217 -206072.8422 17687.6133 0.0000 0.0000 34047.0502 -149478.6824 297.3414 -183525.7326 -149385.6915 297.4529 -29.5617 2.2284 555964.6956 -5.8714 -5.8741 PRESSURE: 2771000 75.4489 70.4218 221.153 70.4224 -282.102 116.736 221.153 116.736 -54.3606 GPRESSURE: 2771000 124.737 84.7746 182.925 168.761 -262.812 118.21 213.3 91.0245 -26.7165 PRESSAVG: 2771000 19.871 43.9845 38.101 43.9846 5.61074 -0.366829 38.101 -0.366801 2.85833 GPRESSAVG: 2771000 20.0127 42.8691 39.2845 45.042 5.8395 0.456072 35.8148 -1.8182 2.57589 TIMING: 2771000 CPU: 8041.03, 0.00290179/step Wall: 8041.03, 0.00290179/step, 1.79669 hours remaining, 209.027344 MB of memory in use. ENERGY: 2771000 777.6272 2076.1687 1929.6980 101.0085 -206048.8440 17592.6403 0.0000 0.0000 34147.9240 -149423.7773 298.2223 -183571.7013 -149331.2478 297.3915 -87.0046 -54.9305 556425.5144 9.4467 9.4760 PRESSURE: 2771200 -54.9157 164.984 45.8777 164.984 -37.1937 -91.4844 45.8783 -91.4844 -29.7926 GPRESSURE: 2771200 -14.5528 240.725 120.409 174.271 -63.1107 -125.23 5.00996 -24.4392 52.2096 PRESSAVG: 2771200 -28.7044 35.0588 11.4748 35.0588 -3.15306 -45.0892 11.4749 -45.0891 2.55756 GPRESSAVG: 2771200 -30.1433 34.9989 11.8023 34.7831 -3.27544 -45.7997 10.9738 -44.0115 3.86 TIMING: 2771200 CPU: 8041.61, 0.00290426/step Wall: 8041.61, 0.00290426/step, 1.79806 hours remaining, 209.027344 MB of memory in use. ENERGY: 2771200 742.0646 2043.1311 1939.3042 115.3119 -206294.6149 17881.6258 0.0000 0.0000 34197.5094 -149375.6679 298.6554 -183573.1773 -149282.2767 298.4276 -40.6340 -8.4846 557894.1260 -9.7666 -9.8529 PRESSURE: 2771400 22.5762 -135.059 -64.1348 -135.058 -54.0169 10.3804 -64.134 10.3794 -152.212 GPRESSURE: 2771400 56.9087 4.64564 -80.2596 -161.838 -30.2514 62.323 -61.6669 -14.3939 -102.372 PRESSAVG: 2771400 2.73392 43.2561 -4.76131 43.2562 -4.71777 21.9187 -4.76124 21.9185 -31.1213 GPRESSAVG: 2771400 3.09919 44.8695 -7.11212 42.8027 -4.07735 24.1034 -3.3929 21.2438 -32.2418 TIMING: 2771400 CPU: 8042.19, 0.00288494/step Wall: 8042.19, 0.00288494/step, 1.78594 hours remaining, 209.027344 MB of memory in use. ENERGY: 2771400 788.8896 2057.2338 1969.8775 100.5182 -206053.0240 17630.5747 0.0000 0.0000 34383.8109 -149122.1193 300.2824 -183505.9302 -149022.1632 299.0126 -61.2175 -25.2383 557958.8255 -11.0350 -11.0733 PRESSURE: 2771600 -21.7144 69.7991 39.7783 69.798 -173.735 -7.70807 39.7772 -7.70786 145.597 GPRESSURE: 2771600 -16.8821 72.9521 94.5666 63.5557 -166.663 -28.4859 -2.44443 -17.1142 231.36 PRESSAVG: 2771600 -7.96507 -41.583 -30.6103 -41.5831 -22.6358 -5.13596 -30.6103 -5.1359 70.7324 GPRESSAVG: 2771600 -7.21296 -42.8599 -29.8894 -40.5975 -24.1778 -8.61247 -30.7591 -5.31687 71.7693 TIMING: 2771600 CPU: 8042.77, 0.00287676/step Wall: 8042.77, 0.00287676/step, 1.78072 hours remaining, 209.027344 MB of memory in use. ENERGY: 2771600 771.7966 2084.5232 1960.1038 112.5302 -206017.3871 17843.0358 0.0000 0.0000 34178.6260 -149066.7715 298.4904 -183245.3975 -148971.1198 299.6197 -16.6174 15.9382 558867.2677 13.3772 13.4595 PRESSURE: 2771800 -160.135 97.9658 -82.4098 97.9659 -228.709 -214.897 -82.4097 -214.896 -248.298 GPRESSURE: 2771800 -138.443 158.964 -89.8651 97.0597 -160.342 -133.914 -29.202 -277.231 -237.48 PRESSAVG: 2771800 -66.2889 -25.1533 -28.2417 -25.1534 -4.04429 -17.6181 -28.2417 -17.6182 41.6243 GPRESSAVG: 2771800 -67.0925 -27.9351 -26.6676 -23.4717 -2.27408 -15.0984 -29.7352 -17.6614 40.6276 TIMING: 2771800 CPU: 8043.34, 0.00289567/step Wall: 8043.34, 0.00289567/step, 1.79226 hours remaining, 209.027344 MB of memory in use. ENERGY: 2771800 764.3850 2123.0090 1956.3486 118.2025 -205732.2008 17519.3237 0.0000 0.0000 34248.0697 -149002.8624 299.0969 -183250.9321 -148912.6906 299.4644 -212.3806 -178.7547 559865.9662 -9.5696 -9.5797 PRESSURE: 2772000 -114.327 -26.3978 77.4565 -26.3974 -88.6122 98.2095 77.4568 98.2101 -222.724 GPRESSURE: 2772000 -87.5712 31.236 165.067 11.6644 -26.6949 85.4086 69.1962 121.735 -208.098 PRESSAVG: 2772000 -33.0722 8.0604 16.2398 8.06039 21.0372 11.6473 16.2397 11.6473 -10.2105 GPRESSAVG: 2772000 -33.7662 11.2448 14.892 6.93737 21.1199 12.8985 16.6217 11.8363 -9.75185 TIMING: 2772000 CPU: 8043.92, 0.00288884/step Wall: 8043.92, 0.00288884/step, 1.78787 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2772000 780.1001 2092.5110 1936.0162 105.0400 -205697.2694 17572.8285 0.0000 0.0000 34236.0173 -148974.7563 298.9917 -183210.7736 -148879.8954 299.3691 -141.8876 -107.4548 559250.7813 -7.4151 -7.4661 PRESSURE: 2772200 0.96452 32.8374 -84.1568 32.8377 0.809163 -41.7172 -84.1567 -41.7158 -47.8903 GPRESSURE: 2772200 76.0964 75.176 -77.2926 -66.1108 44.6263 -110.202 -150.289 23.9596 -72.2007 PRESSAVG: 2772200 -40.5413 31.4389 6.262 31.4389 22.0189 29.2451 6.26199 29.2452 23.0032 GPRESSAVG: 2772200 -40.3224 30.9918 6.23252 30.8309 21.058 27.0054 7.90651 28.0843 23.7134 TIMING: 2772200 CPU: 8044.5, 0.00289349/step Wall: 8044.5, 0.00289349/step, 1.79059 hours remaining, 209.027344 MB of memory in use. ENERGY: 2772200 780.6081 2170.3670 1961.1339 115.9431 -205872.9198 17615.1725 0.0000 0.0000 34313.1013 -148916.5938 299.6648 -183229.6951 -148820.4959 299.7555 -15.3722 16.1740 557895.0631 1.4936 1.4830 LDB: ============= START OF LOAD BALANCING ============== 8047.97 LDB: ============== END OF LOAD BALANCING =============== 8047.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8047.97 LDB: ============= START OF LOAD BALANCING ============== 8048.26 LDB: Largest compute 4821 load 0.028077 is 23.9% of average load 0.117718 LDB: Average compute 0.001713 is 1.5% of average load 0.117718 LDB: TIME 8048.26 LOAD: AVG 0.117718 MAX 0.179027 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 8048.26 LOAD: AVG 0.117718 MAX 0.179027 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: TIME 8048.26 LOAD: AVG 0.117718 MAX 0.179027 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 8048.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8048.27 PRESSURE: 2772400 95.4103 -36.1952 93.6788 -36.1952 174.669 -126.865 93.6783 -126.864 135.451 GPRESSURE: 2772400 154.297 -51.2424 188.06 -114.999 223.048 -135.018 40.1972 -166.823 130.971 PRESSAVG: 2772400 73.278 -2.53553 -6.73967 -2.53538 5.38467 -35.9457 -6.73977 -35.9457 -44.9942 GPRESSAVG: 2772400 74.4307 -2.30402 -5.91768 -3.46331 6.25664 -35.9216 -7.48007 -35.0891 -46.9851 TIMING: 2772400 CPU: 8045.09, 0.0029664/step Wall: 8045.09, 0.0029664/step, 1.83554 hours remaining, 205.878906 MB of memory in use. ENERGY: 2772400 748.7732 2060.9730 1996.1337 117.9373 -206354.5884 17899.7945 0.0000 0.0000 34323.6090 -149207.3677 299.7566 -183530.9766 -149113.9188 299.8771 135.1768 169.4385 555931.9641 11.2228 11.2341 PRESSURE: 2772600 -55.0952 -151.425 -3.09165 -151.427 -92.6855 -36.6648 -3.09258 -36.6635 -130.271 GPRESSURE: 2772600 -58.7826 -126.502 47.7506 -77.3633 -17.4797 -140.343 -32.7612 -25.8416 -91.7273 PRESSAVG: 2772600 -33.8533 -55.5601 8.32219 -55.5602 -9.5668 -10.234 8.3221 -10.234 62.2355 GPRESSAVG: 2772600 -35.4981 -53.6671 6.96057 -55.0372 -8.17911 -12.0021 8.97701 -7.53891 62.7569 TIMING: 2772600 CPU: 8045.67, 0.00288119/step Wall: 8045.67, 0.00288119/step, 1.78265 hours remaining, 206.078125 MB of memory in use. ENERGY: 2772600 739.7686 2082.5311 1979.4718 109.8355 -206279.2197 17747.1071 0.0000 0.0000 34416.4056 -149204.0999 300.5670 -183620.5055 -149108.9608 299.7355 -92.6840 -55.9965 557703.7763 6.2718 6.3599 PRESSURE: 2772800 -59.2179 -96.3228 -18.8561 -96.3237 408.83 -51.6131 -18.8562 -51.6144 28.8695 GPRESSURE: 2772800 -16.4926 -70.7388 60.2517 -52.7371 458.928 -30.1131 -159.575 -62.4662 38.6805 PRESSAVG: 2772800 -10.8401 -34.5182 -19.5148 -34.5181 48.2603 -15.1209 -19.5148 -15.1209 -19.5323 GPRESSAVG: 2772800 -9.04381 -36.3841 -18.3138 -33.828 46.1331 -13.1055 -20.7956 -15.5599 -19.7272 TIMING: 2772800 CPU: 8046.25, 0.00289271/step Wall: 8046.25, 0.00289271/step, 1.78962 hours remaining, 206.078125 MB of memory in use. ENERGY: 2772800 728.0801 2099.1747 1963.9094 112.3523 -206546.0624 18159.4518 0.0000 0.0000 34421.6296 -149061.4644 300.6127 -183483.0940 -148959.6194 300.0643 126.1606 160.3719 558208.0889 5.9626 5.7874 PRESSURE: 2773000 -144.611 59.8296 -96.2569 59.8305 -227.734 38.5179 -96.2573 38.5173 -150.772 GPRESSURE: 2773000 -113.832 20.5139 -50.8537 60.6101 -192.206 -31.499 -160.735 17.3098 -128.732 PRESSAVG: 2773000 28.3169 -22.4557 -70.1846 -22.4556 -14.9357 -13.6585 -70.1846 -13.6586 -4.57291 GPRESSAVG: 2773000 27.3947 -21.9265 -70.9659 -24.6537 -14.2517 -14.1369 -69.4631 -16.4378 -4.5119 TIMING: 2773000 CPU: 8046.82, 0.00287051/step Wall: 8046.82, 0.00287051/step, 1.77573 hours remaining, 206.335938 MB of memory in use. ENERGY: 2773000 718.3624 2143.8222 1966.0411 117.8764 -205840.9345 17487.0284 0.0000 0.0000 34346.8664 -149060.9375 299.9597 -183407.8039 -148968.5534 300.2209 -174.3725 -144.9231 557625.2489 2.9361 2.8770 PRESSURE: 2773200 -134.957 105.847 -53.957 105.846 -74.095 92.4257 -53.9573 92.425 -289.949 GPRESSURE: 2773200 -114.684 164.503 -61.7265 109.243 -96.3989 123.849 -63.6375 101.67 -186.158 PRESSAVG: 2773200 -14.6313 30.8328 -56.5749 30.8327 17.8258 23.2187 -56.5749 23.2187 43.2895 GPRESSAVG: 2773200 -13.9905 29.2103 -57.0592 32.9482 16.8219 23.4578 -55.4667 24.1746 43.6962 TIMING: 2773200 CPU: 8047.4, 0.00288826/step Wall: 8047.4, 0.00288826/step, 1.78655 hours remaining, 206.335938 MB of memory in use. ENERGY: 2773200 782.7213 2052.1935 1923.4343 123.4139 -205638.8168 17440.7306 0.0000 0.0000 34218.0934 -149098.2297 298.8351 -183316.3231 -148995.4792 299.6142 -166.3337 -132.4136 557365.6011 15.4947 15.5092 PRESSURE: 2773400 -460.704 24.5483 -69.178 24.5481 -220.798 36.4967 -69.1776 36.4954 -385.979 GPRESSURE: 2773400 -427.731 94.244 -60.2188 44.1202 -225.242 25.4973 -127.029 70.4115 -330.632 PRESSAVG: 2773400 -13.2498 26.7923 4.07865 26.7922 5.0378 20.0858 4.07862 20.0858 -13.1516 GPRESSAVG: 2773400 -14.3862 27.107 3.53057 26.8634 5.41941 20.7969 4.00698 20.9834 -12.5485 TIMING: 2773400 CPU: 8047.98, 0.00288054/step Wall: 8047.98, 0.00288054/step, 1.78162 hours remaining, 206.335938 MB of memory in use. ENERGY: 2773400 764.7929 2121.7218 1974.0603 111.2409 -205687.1435 17288.7095 0.0000 0.0000 34647.7418 -148778.8762 302.5873 -183426.6180 -148680.5816 299.8437 -355.8268 -327.8686 558720.3039 -7.1212 -7.1718 PRESSURE: 2773600 -263.507 85.7936 103.021 85.7964 81.7709 143.182 103.022 143.182 -208.964 GPRESSURE: 2773600 -244.34 49.3009 101.621 46.4552 164.3 205.586 36.6423 140.163 -209.773 PRESSAVG: 2773600 -51.0579 -14.5875 57.7211 -14.5875 42.192 -21.042 57.7211 -21.0421 2.78863 GPRESSAVG: 2773600 -49.9153 -12.7326 59.0281 -17.7871 42.1518 -23.4722 56.7841 -20.8501 1.70717 TIMING: 2773600 CPU: 8048.55, 0.0028793/step Wall: 8048.55, 0.0028793/step, 1.78069 hours remaining, 206.335938 MB of memory in use. ENERGY: 2773600 716.7343 2046.9682 1965.4216 109.2134 -205419.1746 17420.6660 0.0000 0.0000 34581.3935 -148578.7777 302.0079 -183160.1712 -148487.3690 301.6287 -130.2333 -96.6044 557196.1869 -2.0258 -2.0188 PRESSURE: 2773800 -217.831 169.996 74.6118 169.994 -215.038 56.1554 74.6102 56.1548 -135.893 GPRESSURE: 2773800 -144.155 237.457 76.6128 188.739 -183.72 -22.0263 66.933 55.4492 -139.571 PRESSAVG: 2773800 63.9526 5.25016 -16.4559 5.25014 -54.5178 -12.5386 -16.4559 -12.5386 -21.0702 GPRESSAVG: 2773800 63.5986 3.98589 -17.4366 5.61598 -53.8441 -10.9572 -15.8044 -12.7587 -20.828 TIMING: 2773800 CPU: 8049.12, 0.00285706/step Wall: 8049.12, 0.00285706/step, 1.76677 hours remaining, 206.335938 MB of memory in use. ENERGY: 2773800 772.3428 2068.5511 1972.2677 111.2231 -205596.6213 17552.3142 0.0000 0.0000 34429.6263 -148690.2961 300.6825 -183119.9225 -148592.4894 301.1122 -189.5874 -155.8156 559053.4937 -3.8784 -3.6912 PRESSURE: 2774000 187.304 -69.4838 11.8708 -69.4847 54.0869 1.89609 11.8703 1.89599 26.592 GPRESSURE: 2774000 192.636 -91.7759 -9.32303 -63.7882 63.6945 22.9211 4.25319 46.0273 107.866 PRESSAVG: 2774000 -42.6559 6.59579 -18.9941 6.59578 23.1169 11.5884 -18.9941 11.5883 15.2775 GPRESSAVG: 2774000 -42.2843 5.82252 -18.9469 9.39171 22.9088 12.4636 -19.3575 11.1631 15.3013 TIMING: 2774000 CPU: 8049.7, 0.0028961/step Wall: 8049.7, 0.0028961/step, 1.79075 hours remaining, 206.335938 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: 2774000 745.0559 2101.2256 1978.9355 105.8520 -206030.8041 17912.4983 0.0000 0.0000 34406.6332 -148780.6037 300.4817 -183187.2368 -148681.8286 300.0959 89.3277 121.3988 557812.2628 -1.4205 -1.3581 PRESSURE: 2774200 -273.786 -79.3621 105.594 -79.3621 -332.354 -75.7351 105.594 -75.7355 -179.466 GPRESSURE: 2774200 -246.299 23.2603 115.857 -101.182 -270.516 -78.9775 87.9655 -56.1289 -170.148 PRESSAVG: 2774200 -80.4349 43.5759 28.8864 43.5759 2.35501 84.1956 28.8864 84.1956 28.0691 GPRESSAVG: 2774200 -79.873 43.5765 30.0446 42.6904 2.64373 82.6992 28.3681 82.7926 27.3923 TIMING: 2774200 CPU: 8050.28, 0.00289143/step Wall: 8050.28, 0.00289143/step, 1.78771 hours remaining, 206.335938 MB of memory in use. ENERGY: 2774200 775.6428 2082.5520 1955.0236 130.3365 -205071.7846 17293.8561 0.0000 0.0000 34333.8148 -148500.5588 299.8457 -182834.3735 -148409.9368 301.0507 -261.8684 -228.9878 559545.8250 -16.6703 -16.6123 PRESSURE: 2774400 -144.613 -21.8773 23.3246 -21.8764 -235.156 149.52 23.3251 149.519 173.253 GPRESSURE: 2774400 -58.8015 38.1602 -1.03512 -65.0832 -222.277 113.902 75.7469 195.81 168.576 PRESSAVG: 2774400 38.944 -16.0633 -26.5052 -16.0632 -26.3301 -0.333292 -26.5052 -0.333294 -29.9168 GPRESSAVG: 2774400 38.8398 -15.3327 -28.0495 -14.8728 -27.9967 2.00168 -24.6583 -0.687232 -27.8909 TIMING: 2774400 CPU: 8050.86, 0.00288916/step Wall: 8050.86, 0.00288916/step, 1.78614 hours remaining, 206.335938 MB of memory in use. ENERGY: 2774400 737.9824 2122.0826 1963.8500 114.7592 -205649.7649 17727.0869 0.0000 0.0000 34428.7351 -148555.2687 300.6747 -182984.0038 -148459.8769 300.9206 -68.8386 -37.5008 559034.6438 -5.7677 -5.6826 PRESSURE: 2774600 86.7074 20.8956 -21.0731 20.8957 -87.5711 66.6914 -21.0734 66.6903 -13.332 GPRESSURE: 2774600 108.096 106.993 -29.8757 -118.327 -17.4689 113.284 14.1808 58.3944 0.256611 PRESSAVG: 2774600 66.4105 9.3949 44.7836 9.39497 -21.1621 54.8058 44.7835 54.8058 -9.96716 GPRESSAVG: 2774600 67.1243 11.1047 42.2343 7.81563 -19.0959 52.3292 45.9664 55.5338 -12.0919 TIMING: 2774600 CPU: 8051.44, 0.00289124/step Wall: 8051.44, 0.00289124/step, 1.78727 hours remaining, 206.335938 MB of memory in use. ENERGY: 2774600 765.0896 2173.0782 1966.8990 110.8316 -205823.1812 17769.3452 0.0000 0.0000 34349.3217 -148688.6159 299.9812 -183037.9376 -148595.0896 300.8468 -4.7319 30.2945 557953.4353 11.7604 11.9788 PRESSURE: 2774800 -89.7173 -13.6552 77.7053 -13.6541 94.0657 66.7004 77.7064 66.6995 140.799 GPRESSURE: 2774800 -45.376 -34.0607 31.256 -93.7475 110.531 1.36364 173.238 179.542 171.432 PRESSAVG: 2774800 31.0314 -18.3354 44.3564 -18.3355 8.9147 38.5527 44.3564 38.5526 -31.6778 GPRESSAVG: 2774800 29.6448 -19.1722 48.0587 -19.336 7.9987 38.296 42.688 39.5983 -29.3985 TIMING: 2774800 CPU: 8052.01, 0.00287963/step Wall: 8052.01, 0.00287963/step, 1.77993 hours remaining, 206.335938 MB of memory in use. ENERGY: 2774800 764.6918 2140.4594 1959.8937 109.6968 -206028.9362 17681.5569 0.0000 0.0000 34619.6208 -148753.0168 302.3418 -183372.6376 -148654.9950 300.3629 48.3825 78.8626 556011.0206 2.7561 2.7483 PRESSURE: 2775000 -139.961 -12.7198 -72.5135 -12.7212 -352.674 53.3021 -72.5127 53.2997 -424.832 GPRESSURE: 2775000 -118.203 -17.6105 36.8869 34.7858 -347.615 -42.3155 -113.895 136.553 -347.822 PRESSAVG: 2775000 1.33324 -3.13288 93.9356 -3.13295 81.7473 52.6679 93.9356 52.668 -35.6684 GPRESSAVG: 2775000 1.45867 -2.10425 94.9227 -2.69668 82.5688 53.3341 91.8495 53.4809 -36.6858 TIMING: 2775000 CPU: 8052.6, 0.00291391/step Wall: 8052.6, 0.00291391/step, 1.80096 hours remaining, 206.335938 MB of memory in use. ENERGY: 2775000 771.5117 2103.2790 1962.5785 108.9267 -205871.6021 17576.2635 0.0000 0.0000 34534.2328 -148814.8100 301.5960 -183349.0428 -148722.8115 300.2916 -305.8225 -271.2134 558542.1860 15.8040 15.7806 PRESSURE: 2775200 -12.8708 33.5101 -132.129 33.511 -83.8418 39.4186 -132.13 39.4182 -337.582 GPRESSURE: 2775200 14.8489 11.9207 -114.014 -2.21214 -57.5896 84.3988 -139.189 59.3981 -285.672 PRESSAVG: 2775200 -14.902 -11.9616 -28.2698 -11.9615 -6.67762 5.99146 -28.2698 5.99148 13.7986 GPRESSAVG: 2775200 -13.9176 -14.3524 -29.0677 -10.8122 -7.14853 5.28907 -26.8301 5.10446 13.4224 TIMING: 2775200 CPU: 8053.18, 0.00289343/step Wall: 8053.18, 0.00289343/step, 1.78814 hours remaining, 206.335938 MB of memory in use. ENERGY: 2775200 778.6771 2117.9008 1958.7867 111.9298 -205732.1899 17617.8598 0.0000 0.0000 34366.6821 -148780.3536 300.1328 -183147.0357 -148689.8133 300.3434 -144.7649 -109.4711 558352.3188 -2.5937 -2.5479 PRESSURE: 2775400 261.242 96.3267 120.543 96.3265 -4.64988 22.3788 120.542 22.3786 91.1479 GPRESSURE: 2775400 325.782 143.29 37.5109 52.7826 -22.0996 61.8663 142.216 9.98026 142.305 PRESSAVG: 2775400 25.5895 30.5037 3.89417 30.5038 -57.6938 -0.466795 3.89427 -0.466837 18.9795 GPRESSAVG: 2775400 26.1893 31.5126 0.230262 30.3413 -57.9539 -0.383121 4.95598 -0.579612 18.751 TIMING: 2775400 CPU: 8053.75, 0.00288496/step Wall: 8053.75, 0.00288496/step, 1.78274 hours remaining, 206.335938 MB of memory in use. ENERGY: 2775400 744.9396 2108.4213 1956.1482 122.5101 -206228.2432 17970.1031 0.0000 0.0000 34543.8132 -148782.3077 301.6797 -183326.1208 -148689.2228 300.6885 115.9135 148.6625 556343.1029 -4.3749 -4.3379 PRESSURE: 2775600 250.901 -110.495 102.402 -110.496 -51.2358 129.364 102.401 129.365 -90.8149 GPRESSURE: 2775600 211.602 -124.606 126.636 -117.532 -1.22932 89.1039 87.5993 224.142 -22.6686 PRESSAVG: 2775600 24.714 15.1886 19.4228 15.1885 -55.238 23.7517 19.4229 23.7516 -24.5574 GPRESSAVG: 2775600 23.5053 15.0644 22.6522 14.5569 -53.6543 23.7465 18.4529 24.2685 -24.5697 TIMING: 2775600 CPU: 8054.33, 0.00290359/step Wall: 8054.33, 0.0029036/step, 1.7941 hours remaining, 206.335938 MB of memory in use. ENERGY: 2775600 738.2379 2117.2642 1969.2340 99.0274 -205805.6655 17866.7327 0.0000 0.0000 34041.1641 -148974.0053 297.2900 -183015.1694 -148877.1302 300.2617 36.2834 62.5680 557775.6203 -18.3605 -18.2395 PRESSURE: 2775800 -83.0747 21.9263 -49.6446 21.9266 50.4535 232.457 -49.644 232.456 178.234 GPRESSURE: 2775800 -72.6602 -2.38017 -50.4762 89.4815 105.076 233.568 -77.895 149.329 207.605 PRESSAVG: 2775800 16.6361 -12.4864 -6.13096 -12.4865 31.0522 -19.3866 -6.13096 -19.3866 -42.0195 GPRESSAVG: 2775800 16.6852 -11.5004 -6.65778 -14.092 30.1128 -18.5338 -5.51904 -20.9837 -40.7637 TIMING: 2775800 CPU: 8054.91, 0.00289776/step Wall: 8054.91, 0.00289776/step, 1.79033 hours remaining, 206.335938 MB of memory in use. ENERGY: 2775800 719.9558 2126.0933 1980.3197 103.1936 -205944.9280 17852.7710 0.0000 0.0000 34146.1534 -149016.4411 298.2069 -183162.5945 -148914.6065 300.0795 48.5376 80.0068 557054.6687 1.8896 2.0114 PRESSURE: 2776000 286.557 -30.1048 130.803 -30.1051 -303.179 125.313 130.803 125.312 188.469 GPRESSURE: 2776000 344.687 -11.0945 171.257 -32.8611 -255.611 127.477 101.768 130.749 170.953 PRESSAVG: 2776000 71.5766 -7.15732 54.1198 -7.15725 -87.2307 31.3529 54.1197 31.3529 3.12762 GPRESSAVG: 2776000 72.5408 -5.28793 53.997 -8.39351 -86.4923 31.2647 52.3403 32.7375 1.50424 TIMING: 2776000 CPU: 8055.49, 0.00288305/step Wall: 8055.49, 0.00288305/step, 1.78108 hours remaining, 206.335938 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: 2776000 770.6899 2090.7134 1970.5419 118.4000 -206157.9459 17886.0231 0.0000 0.0000 34410.0524 -148911.5252 300.5115 -183321.5776 -148815.5897 300.2532 57.2827 86.6766 556997.5179 -4.1755 -4.1491 PRESSURE: 2776200 230.747 -57.0766 -83.3873 -57.078 -9.10879 -28.8067 -83.3871 -28.8072 -149.146 GPRESSURE: 2776200 289.952 -69.8596 -21.1858 -22.8449 15.554 -70.62 -167.365 -52.1891 -142.625 PRESSAVG: 2776200 50.9603 12.789 -2.40112 12.7891 23.3008 -19.8428 -2.40105 -19.8428 -57.0578 GPRESSAVG: 2776200 49.2105 11.0072 -0.566037 13.6886 23.5595 -20.4871 -3.20409 -21.5806 -54.9188 TIMING: 2776200 CPU: 8056.07, 0.00290307/step Wall: 8056.07, 0.00290307/step, 1.79329 hours remaining, 206.335938 MB of memory in use. ENERGY: 2776200 742.4122 2082.5607 1930.7893 116.4935 -205962.2280 17747.2660 0.0000 0.0000 34467.6363 -148875.0699 301.0144 -183342.7063 -148774.1675 300.4214 24.1644 54.2935 557095.1912 5.7344 5.9504 LDB: ============= START OF LOAD BALANCING ============== 8059.54 LDB: ============== END OF LOAD BALANCING =============== 8059.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8059.54 LDB: ============= START OF LOAD BALANCING ============== 8059.83 LDB: Largest compute 4848 load 0.030016 is 25.5% of average load 0.117762 LDB: Average compute 0.001726 is 1.5% of average load 0.117762 LDB: TIME 8059.83 LOAD: AVG 0.117762 MAX 0.179389 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 8059.83 LOAD: AVG 0.117762 MAX 0.179389 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: TIME 8059.83 LOAD: AVG 0.117762 MAX 0.179389 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8059.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8059.83 PRESSURE: 2776400 155.972 -52.8716 27.7782 -52.8727 -311.329 -86.2602 27.7766 -86.2596 89.7522 GPRESSURE: 2776400 179.323 -44.6617 111.202 -101.3 -316.976 -177.712 -8.07535 -81.1411 162.528 PRESSAVG: 2776400 20.8878 -33.489 12.8462 -33.489 36.4094 55.303 12.8461 55.3032 -58.2012 GPRESSAVG: 2776400 21.405 -33.996 12.7512 -33.9213 36.7237 54.3192 14.0725 56.7181 -59.1881 TIMING: 2776400 CPU: 8056.66, 0.00294688/step Wall: 8056.66, 0.00294688/step, 1.82019 hours remaining, 206.312500 MB of memory in use. ENERGY: 2776400 775.8943 2069.9383 1967.7929 111.8155 -206081.7511 17623.9581 0.0000 0.0000 34559.9105 -148972.4414 301.8203 -183532.3519 -148879.5489 300.6718 -21.8681 8.2920 556221.8907 -0.3013 -0.3531 PRESSURE: 2776600 112.708 42.1736 100.954 42.1734 29.1377 30.4097 100.954 30.4111 -327.949 GPRESSURE: 2776600 79.4779 10.6039 119.931 -16.3257 48.1071 37.5796 65.8707 9.1561 -226.136 PRESSAVG: 2776600 -5.30365 -29.6628 34.4446 -29.6628 -9.11455 -2.50205 34.4446 -2.50193 -12.896 GPRESSAVG: 2776600 -4.31447 -30.2869 33.3081 -27.8677 -9.91773 -0.154754 34.5555 -3.43301 -12.9363 TIMING: 2776600 CPU: 8057.24, 0.00289631/step Wall: 8057.24, 0.00289631/step, 1.78879 hours remaining, 206.812500 MB of memory in use. ENERGY: 2776600 738.5587 2065.0232 1968.2881 120.0084 -205898.5989 17677.6236 0.0000 0.0000 34343.0179 -148986.0790 299.9261 -183329.0969 -148880.8964 299.9939 -62.0345 -32.8504 557494.0883 -9.1047 -9.0562 PRESSURE: 2776800 33.2718 -78.4289 64.5397 -78.4281 158.953 11.516 64.5386 11.514 -205.132 GPRESSURE: 2776800 36.9218 -71.2627 19.3762 -16.7044 221.089 -122.461 113.254 129.41 -163.064 PRESSAVG: 2776800 11.9419 -97.4388 -38.7287 -97.4389 33.6846 -1.29958 -38.7287 -1.29954 -41.2572 GPRESSAVG: 2776800 11.4361 -96.2629 -37.8454 -97.073 34.2194 -4.61762 -38.4348 -0.0758215 -41.0951 TIMING: 2776800 CPU: 8057.81, 0.00288046/step Wall: 8057.81, 0.00288046/step, 1.77885 hours remaining, 206.812500 MB of memory in use. ENERGY: 2776800 733.4574 2055.6782 1936.7401 116.9817 -205959.7535 17721.4350 0.0000 0.0000 34384.8751 -149010.5861 300.2917 -183395.4611 -148918.0352 299.5679 -4.3024 31.6489 557654.9894 1.4565 1.5201 PRESSURE: 2777000 -83.5562 -161.823 -127.708 -161.823 -103.598 -102.594 -127.708 -102.594 2.53193 GPRESSURE: 2777000 -11.7525 -239.038 -175.536 -101.461 -128.58 -52.2068 -137.503 -113.364 56.8659 PRESSAVG: 2777000 -3.74919 -30.7153 -86.9956 -30.7154 26.3105 57.3372 -86.9956 57.3372 -19.4637 GPRESSAVG: 2777000 -5.20456 -31.9798 -89.4721 -30.3716 25.0621 59.1929 -87.0512 57.0859 -16.7831 TIMING: 2777000 CPU: 8058.39, 0.00289061/step Wall: 8058.39, 0.00289061/step, 1.78495 hours remaining, 206.812500 MB of memory in use. ENERGY: 2777000 756.5387 2111.7884 1931.6145 114.7507 -205940.0506 17677.8451 0.0000 0.0000 34358.6941 -148988.8191 300.0630 -183347.5132 -148891.1674 300.1292 -61.5408 -27.8223 557520.2582 1.0325 1.0248 PRESSURE: 2777200 0.216401 116.739 -50.953 116.739 38.006 15.575 -50.953 15.5753 71.0251 GPRESSURE: 2777200 50.6663 117.618 -102.874 49.9551 29.0445 20.7442 38.113 -35.5549 131.866 PRESSAVG: 2777200 26.4402 -22.2786 -13.4499 -22.2786 27.9759 34.1491 -13.4499 34.1492 -9.37572 GPRESSAVG: 2777200 28.6826 -22.5341 -13.3631 -22.4659 28.0259 35.7442 -11.1349 31.8652 -11.9632 TIMING: 2777200 CPU: 8058.97, 0.00288778/step Wall: 8058.97, 0.00288778/step, 1.78304 hours remaining, 207.070312 MB of memory in use. ENERGY: 2777200 746.3365 2103.0757 1975.9029 115.8172 -206248.0983 17875.2424 0.0000 0.0000 34259.7912 -149171.9325 299.1993 -183431.7237 -149081.4547 300.2922 36.4158 70.5257 556369.9408 15.0135 14.9151 PRESSURE: 2777400 299.938 13.5499 35.4406 13.5495 179.246 27.7405 35.4405 27.7401 -9.749 GPRESSURE: 2777400 315.901 71.8313 81.4901 -34.4997 180.056 18.3428 22.1686 44.2298 60.1848 PRESSAVG: 2777400 -6.33608 3.56503 -14.5997 3.56499 -8.01122 -1.14806 -14.5998 -1.14806 -28.3658 GPRESSAVG: 2777400 -8.6016 3.24386 -13.1463 2.96019 -6.8168 -1.45753 -15.8366 -0.0958633 -27.8494 TIMING: 2777400 CPU: 8059.55, 0.00291335/step Wall: 8059.55, 0.00291335/step, 1.79867 hours remaining, 207.070312 MB of memory in use. ENERGY: 2777400 700.4533 2129.9179 1956.7391 118.8080 -206383.1330 17968.1690 0.0000 0.0000 34335.3044 -149173.7414 299.8588 -183509.0458 -149083.2926 299.5538 156.4784 185.3806 556208.4890 -14.2377 -14.4226 PRESSURE: 2777600 156.824 -4.14584 -9.30445 -4.14612 91.9949 -88.5956 -9.30401 -88.594 -178.868 GPRESSURE: 2777600 117.507 -23.7936 14.1396 -11.0181 155.858 -28.2786 -21.6165 -62.8031 -97.971 PRESSAVG: 2777600 24.1926 -35.995 22.7542 -35.9949 72.2355 -22.8302 22.7541 -22.8301 -86.4756 GPRESSAVG: 2777600 25.3282 -34.671 23.8574 -36.7374 71.1378 -24.1742 21.7945 -23.3975 -86.763 TIMING: 2777600 CPU: 8060.13, 0.00289678/step Wall: 8060.13, 0.00289678/step, 1.78828 hours remaining, 207.070312 MB of memory in use. ENERGY: 2777600 746.9046 2125.7873 1951.8120 106.5723 -206499.3358 17873.9528 0.0000 0.0000 34402.0185 -149292.2884 300.4414 -183694.3068 -149192.9527 299.3004 23.3169 58.4648 555578.1654 3.3175 3.2344 PRESSURE: 2777800 -359.638 -212.125 0.560001 -212.127 114.813 3.10614 0.559369 3.10502 -166.874 GPRESSURE: 2777800 -337.997 -251.005 -56.6767 -140.664 122.286 -56.4011 4.34751 -4.35398 -104.81 PRESSAVG: 2777800 -46.9806 -55.6918 5.68185 -55.6918 40.0298 14.4785 5.68189 14.4785 -31.719 GPRESSAVG: 2777800 -47.8519 -54.7012 2.98838 -54.7891 39.789 15.1717 5.70007 14.5157 -31.9083 TIMING: 2777800 CPU: 8060.71, 0.00290702/step Wall: 8060.71, 0.00290702/step, 1.79444 hours remaining, 207.070312 MB of memory in use. ENERGY: 2777800 764.3328 2089.1405 1971.7594 104.3147 -206401.6009 17710.8432 0.0000 0.0000 34423.2093 -149338.0010 300.6264 -183761.2103 -149242.8007 299.1474 -137.2330 -106.8405 556156.2703 -12.8900 -13.3237 PRESSURE: 2778000 -80.8233 -12.2422 137.176 -12.2423 -149.855 -126.321 137.177 -126.32 -275.697 GPRESSURE: 2778000 -39.7728 73.7417 133.222 -76.1853 -59.9473 -72.8541 11.9238 -116.691 -316.681 PRESSAVG: 2778000 3.33099 -55.0711 -10.2807 -55.071 5.8667 26.7094 -10.2808 26.7094 -10.1127 GPRESSAVG: 2778000 3.26492 -55.427 -8.13258 -56.408 6.90674 27.0449 -11.1039 28.9875 -10.2864 TIMING: 2778000 CPU: 8061.29, 0.00290472/step Wall: 8061.29, 0.00290472/step, 1.79286 hours remaining, 207.070312 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: 2778000 763.9558 2111.1149 1954.4556 98.2675 -206213.4183 17626.1364 0.0000 0.0000 34379.0834 -149280.4048 300.2411 -183659.4882 -149181.9708 299.8448 -168.7916 -138.8004 557408.7867 -0.3050 -0.0382 PRESSURE: 2778200 146.977 120.814 -232.372 120.813 -122.135 7.0385 -232.372 7.03967 -47.3898 GPRESSURE: 2778200 156.598 65.8119 -208.669 168.521 -97.1518 92.8294 -258.016 63.2933 9.50172 PRESSAVG: 2778200 49.6976 19.5248 9.88328 19.5248 -61.5294 -6.71597 9.88335 -6.71591 -33.7966 GPRESSAVG: 2778200 49.9127 18.511 7.42876 19.7912 -62.6347 -6.56162 11.1879 -8.39819 -33.0033 TIMING: 2778200 CPU: 8061.87, 0.00289489/step Wall: 8061.87, 0.00289489/step, 1.78663 hours remaining, 207.144531 MB of memory in use. ENERGY: 2778200 735.1596 2068.9279 1931.4189 110.0895 -206417.7225 17902.9623 0.0000 0.0000 34285.9668 -149383.1976 299.4279 -183669.1644 -149288.3108 299.3156 -7.5159 22.9826 556449.4845 -15.2095 -15.2418 PRESSURE: 2778400 -52.7946 -74.9823 48.6264 -74.9811 -70.373 -1.75659 48.6259 -1.75849 -35.2304 GPRESSURE: 2778400 2.19316 -119.097 95.255 -106.581 -28.645 -44.7477 82.5822 -23.4762 -27.4785 PRESSAVG: 2778400 60.8152 -9.65851 37.4466 -9.65849 -55.7053 27.5801 37.4467 27.58 -9.1341 GPRESSAVG: 2778400 59.7558 -9.62529 40.174 -11.1099 -54.7996 26.0405 35.7078 28.2424 -8.24543 TIMING: 2778400 CPU: 8062.45, 0.00289095/step Wall: 8062.45, 0.00289095/step, 1.78404 hours remaining, 207.144531 MB of memory in use. ENERGY: 2778400 769.8182 2130.2276 1949.8822 106.4815 -206380.8141 17789.2664 0.0000 0.0000 34168.8428 -149466.2955 298.4050 -183635.1383 -149377.5687 299.0820 -52.7993 -17.9768 556229.4657 -1.3414 -1.0964 PRESSURE: 2778600 -46.2724 -29.7017 6.85127 -29.702 25.9565 127.734 6.85201 127.735 -5.81683 GPRESSURE: 2778600 -4.41225 -31.0824 -54.6365 -53.0727 63.7294 140.897 0.0723109 155.761 14.5124 PRESSAVG: 2778600 -7.25846 -42.7992 -31.3618 -42.7994 32.2282 12.8581 -31.3618 12.8581 -22.1183 GPRESSAVG: 2778600 -5.90002 -44.7991 -33.5403 -40.1496 31.1384 13.6905 -29.291 12.9272 -22.5294 TIMING: 2778600 CPU: 8063.03, 0.00287501/step Wall: 8063.03, 0.00287501/step, 1.77404 hours remaining, 207.144531 MB of memory in use. ENERGY: 2778600 731.2319 2130.9216 1971.0659 109.0154 -206426.0127 17843.6840 0.0000 0.0000 34315.8894 -149324.2045 299.6892 -183640.0939 -149224.0804 300.0361 -8.7109 24.6099 557590.7964 0.9505 0.9030 PRESSURE: 2778800 214.973 -54.189 -97.0345 -54.1897 107.477 34.7204 -97.0349 34.7201 -171.755 GPRESSURE: 2778800 225.188 -53.4279 -24.6159 -45.8154 130.611 74.7512 -144.964 -36.3292 -99.7746 PRESSAVG: 2778800 27.9651 -12.2554 -41.7169 -12.2554 18.3808 -29.4588 -41.7169 -29.4587 -15.0224 GPRESSAVG: 2778800 28.5313 -8.63444 -40.2574 -15.6701 18.2969 -30.2691 -44.3814 -27.8248 -15.408 TIMING: 2778800 CPU: 8063.6, 0.00288522/step Wall: 8063.6, 0.00288522/step, 1.78018 hours remaining, 207.144531 MB of memory in use. ENERGY: 2778800 717.0409 2124.6551 1963.6438 109.0480 -206463.6352 18011.8913 0.0000 0.0000 34251.5261 -149285.8300 299.1271 -183537.3561 -149191.0085 299.8350 50.2317 85.3412 555787.5822 10.4412 10.4734 PRESSURE: 2779000 -94.039 21.3082 -22.3081 21.3073 -332.324 -84.3263 -22.3071 -84.3258 -327.065 GPRESSURE: 2779000 -120.936 100.088 -26.5423 -44.774 -196.326 -61.4483 9.75999 -32.3014 -337.68 PRESSAVG: 2779000 53.0185 -23.916 -3.70418 -23.9161 -37.5831 19.7779 -3.70423 19.7779 10.2927 GPRESSAVG: 2779000 52.5291 -26.6281 -1.61678 -21.6593 -37.0552 21.9924 -2.23956 17.5684 10.3349 TIMING: 2779000 CPU: 8064.18, 0.0029043/step Wall: 8064.18, 0.0029043/step, 1.79179 hours remaining, 207.144531 MB of memory in use. ENERGY: 2779000 733.9602 2086.8171 1969.5176 111.3402 -206049.6755 17466.2464 0.0000 0.0000 34382.2251 -149299.5688 300.2685 -183681.7939 -149197.1930 298.6007 -251.1426 -218.3141 557535.6902 8.5760 8.6029 PRESSURE: 2779200 -40.9636 273.388 -44.6027 273.388 -197.769 84.6422 -44.6017 84.6415 233.769 GPRESSURE: 2779200 -26.7041 221.348 -8.6674 298.574 -105.979 108.608 -51.7212 113.232 224.087 PRESSAVG: 2779200 -24.5347 13.5521 20.9103 13.5521 -32.4523 -30.031 20.9103 -30.0309 62.4064 GPRESSAVG: 2779200 -25.6175 16.0862 19.4687 11.5769 -31.4981 -30.9406 20.0804 -28.2734 62.0496 TIMING: 2779200 CPU: 8064.76, 0.00289099/step Wall: 8064.76, 0.00289099/step, 1.78342 hours remaining, 207.144531 MB of memory in use. ENERGY: 2779200 723.3227 2117.5112 1971.1626 117.0438 -206130.2637 17755.2785 0.0000 0.0000 34185.6963 -149260.2487 298.5522 -183445.9449 -149160.1751 298.3448 -1.6548 30.4679 558395.7217 1.8065 1.6447 PRESSURE: 2779400 101.96 143.808 -168.132 143.807 99.4853 40.4441 -168.133 40.4439 55.4651 GPRESSURE: 2779400 99.2902 94.77 -86.7026 209.077 145.711 9.77185 -213.27 31.2401 104.381 PRESSAVG: 2779400 -39.669 -12.8864 -30.8389 -12.8865 26.9804 41.4023 -30.839 41.4023 59.9947 GPRESSAVG: 2779400 -38.1115 -13.5176 -31.1121 -11.8456 24.9516 41.1635 -30.2215 40.8679 61.0108 TIMING: 2779400 CPU: 8065.34, 0.00287737/step Wall: 8065.34, 0.00287737/step, 1.77486 hours remaining, 207.144531 MB of memory in use. ENERGY: 2779400 787.3048 2123.3251 1946.7724 118.8780 -206495.3569 18041.1071 0.0000 0.0000 34091.7180 -149386.2515 297.7315 -183477.9696 -149285.5195 298.3193 85.6367 116.4610 555916.8467 15.7687 15.9503 PRESSURE: 2779600 -327.771 152.595 177.878 152.595 -195.925 78.9072 177.878 78.906 -394.156 GPRESSURE: 2779600 -298.449 40.5778 162.028 173.01 -135.057 44.8869 284.353 -6.0555 -383.17 PRESSAVG: 2779600 -47.2124 47.3679 -7.14924 47.3678 46.4727 21.9453 -7.14915 21.9453 18.9149 GPRESSAVG: 2779600 -47.2708 45.0513 -7.40313 49.797 47.261 21.751 -6.29449 21.9311 18.432 TIMING: 2779600 CPU: 8065.92, 0.00289257/step Wall: 8065.92, 0.00289257/step, 1.78407 hours remaining, 207.144531 MB of memory in use. ENERGY: 2779600 740.2888 2122.4655 1955.5442 118.9176 -205581.1470 17325.6619 0.0000 0.0000 33951.5023 -149366.7668 296.5069 -183318.2691 -149269.9945 298.6535 -305.9506 -272.2255 558052.0260 6.0584 6.1407 PRESSURE: 2779800 51.2246 64.267 -65.9082 64.266 8.29105 -43.1217 -65.9066 -43.1218 45.1729 GPRESSURE: 2779800 110.103 -35.9568 -55.3919 22.0848 52.7499 19.5072 -156.221 -29.4674 33.5086 PRESSAVG: 2779800 -36.5534 27.9391 -27.5342 27.9391 25.1943 1.57157 -27.5343 1.57158 2.66645 GPRESSAVG: 2779800 -36.3675 28.1911 -27.7316 25.2162 24.615 1.13573 -27.7994 1.94712 2.67902 TIMING: 2779800 CPU: 8066.5, 0.00290221/step Wall: 8066.5, 0.00290221/step, 1.78986 hours remaining, 207.144531 MB of memory in use. ENERGY: 2779800 734.3063 2095.7339 1965.4669 118.2524 -206211.5982 17878.0177 0.0000 0.0000 34133.1918 -149286.6292 298.0937 -183419.8210 -149192.6116 299.0446 34.8962 65.4537 556851.8609 -2.8975 -3.0245 PRESSURE: 2780000 58.9853 75.0682 -52.2364 75.0682 173.881 -52.5444 -52.2357 -52.5437 301.006 GPRESSURE: 2780000 80.2463 68.6645 -69.391 64.0168 236.559 -157.539 6.64943 49.158 331.341 PRESSAVG: 2780000 -41.07 10.4862 -11.8954 10.4862 -24.1452 19.9743 -11.8954 19.9744 63.2595 GPRESSAVG: 2780000 -41.9425 12.7881 -12.0442 10.6909 -23.2151 21.7636 -11.7823 19.3607 63.1411 TIMING: 2780000 CPU: 8067.08, 0.00289162/step Wall: 8067.08, 0.00289162/step, 1.78317 hours remaining, 207.144531 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: 2780000 730.7793 2050.4179 1939.9242 109.7005 -206859.3312 18138.5671 0.0000 0.0000 34539.4352 -149350.5070 301.6415 -183889.9422 -149253.0885 299.1263 177.9575 216.0489 555402.6205 -0.6519 -0.6721 PRESSURE: 2780200 -80.3022 45.1237 64.3151 45.1219 -104.925 73.0161 64.3159 73.0153 103.928 GPRESSURE: 2780200 -11.6926 50.8486 150.784 108.036 -79.6874 66.4685 47.6406 47.7185 104.537 PRESSAVG: 2780200 -100.05 -37.5496 31.947 -37.5496 43.4075 22.2186 31.947 22.2185 41.2469 GPRESSAVG: 2780200 -99.3365 -37.5108 32.9984 -38.1622 43.7665 21.461 31.7675 23.1706 40.324 TIMING: 2780200 CPU: 8067.66, 0.00290005/step Wall: 8067.66, 0.00290005/step, 1.7882 hours remaining, 207.156250 MB of memory in use. ENERGY: 2780200 752.7371 2060.2781 1951.6069 118.7406 -206490.8352 17787.7539 0.0000 0.0000 34362.7091 -149457.0096 300.0981 -183819.7187 -149358.9296 298.8208 -27.0999 4.3858 557026.4469 -5.1320 -5.0820 LDB: ============= START OF LOAD BALANCING ============== 8071.12 LDB: ============== END OF LOAD BALANCING =============== 8071.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8071.12 LDB: ============= START OF LOAD BALANCING ============== 8071.41 LDB: Largest compute 4821 load 0.028907 is 24.5% of average load 0.117781 LDB: Average compute 0.001721 is 1.5% of average load 0.117781 LDB: TIME 8071.41 LOAD: AVG 0.117781 MAX 0.180289 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.023 MB LDB: TIME 8071.41 LOAD: AVG 0.117781 MAX 0.180289 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: TIME 8071.41 LOAD: AVG 0.117781 MAX 0.180289 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8071.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8071.42 PRESSURE: 2780400 150.199 -101.915 104.325 -101.917 -64.4974 -136.034 104.327 -136.036 -89.3011 GPRESSURE: 2780400 169.693 -118.891 122.352 -141.278 -38.5764 -138.424 40.222 -75.1538 -57.0122 PRESSAVG: 2780400 33.0353 -17.1033 14.6319 -17.1034 -6.98162 -21.776 14.6318 -21.7761 -0.329712 GPRESSAVG: 2780400 32.496 -18.1496 15.6546 -15.1689 -8.2469 -22.9879 15.4411 -23.8283 1.27645 TIMING: 2780400 CPU: 8068.25, 0.00294743/step Wall: 8068.25, 0.00294743/step, 1.81725 hours remaining, 205.679688 MB of memory in use. ENERGY: 2780400 745.7251 2225.1554 1938.6686 116.9164 -206688.2474 17766.6118 0.0000 0.0000 34409.0252 -149486.1449 300.5026 -183895.1701 -149384.8591 298.8834 -1.1998 24.7013 556076.7718 8.5747 8.5085 PRESSURE: 2780600 5.43992 116.422 40.1953 116.422 33.5189 -181.829 40.1933 -181.83 -125.405 GPRESSURE: 2780600 1.80396 116.283 14.7112 113.089 91.731 -179.087 100.34 -230.695 -99.0695 PRESSAVG: 2780600 -41.2625 -18.8194 -15.6762 -18.8194 35.9666 -43.9721 -15.6763 -43.9721 31.7361 GPRESSAVG: 2780600 -42.6521 -21.4489 -17.8351 -18.8276 37.1265 -42.3547 -14.8888 -43.2096 31.2981 TIMING: 2780600 CPU: 8068.82, 0.00288221/step Wall: 8068.82, 0.00288221/step, 1.77688 hours remaining, 206.085938 MB of memory in use. ENERGY: 2780600 754.4294 2091.3325 1977.9483 113.7881 -206213.5967 17730.9488 0.0000 0.0000 34224.5334 -149320.6162 298.8914 -183545.1496 -149229.8536 298.2995 -28.8154 -1.8448 556631.4356 8.8134 8.5908 PRESSURE: 2780800 -10.544 -202.647 31.4301 -202.647 14.9521 50.5515 31.4294 50.5509 46.8092 GPRESSURE: 2780800 28.9159 -122.892 50.4961 -88.1789 47.775 119.854 -17.2998 -64.9834 66.5983 PRESSAVG: 2780800 -0.648509 46.4893 -9.34955 46.4893 -32.2123 -10.5211 -9.34958 -10.5212 13.7076 GPRESSAVG: 2780800 -1.01869 48.324 -7.11101 46.6154 -32.4259 -12.5772 -11.4806 -10.4904 14.6971 TIMING: 2780800 CPU: 8069.41, 0.00292101/step Wall: 8069.41, 0.00292101/step, 1.80064 hours remaining, 206.085938 MB of memory in use. ENERGY: 2780800 734.3264 2077.5482 1964.0752 120.0467 -206172.1843 17849.6582 0.0000 0.0000 34227.8441 -149198.6855 298.9203 -183426.5296 -149101.2728 299.2006 17.0724 47.7631 557329.7147 -6.3844 -6.2492 PRESSURE: 2781000 -49.3494 0.601575 -136.766 0.600924 316.249 -109.897 -136.766 -109.897 -350.92 GPRESSURE: 2781000 14.4037 -14.0372 -146.947 13.6537 319.614 -32.4142 -147.1 -153.312 -327.1 PRESSAVG: 2781000 -61.2116 32.8117 -6.87873 32.8117 44.5945 -10.9402 -6.87875 -10.9401 -20.1951 GPRESSAVG: 2781000 -60.2393 32.778 -7.68817 30.9044 44.2367 -11.2764 -5.7632 -9.30416 -20.6962 TIMING: 2781000 CPU: 8069.99, 0.00290945/step Wall: 8069.99, 0.00290945/step, 1.79335 hours remaining, 206.085938 MB of memory in use. ENERGY: 2781000 750.8652 2066.7279 1970.7575 117.3159 -206079.0479 17726.3808 0.0000 0.0000 34357.9227 -149089.0779 300.0563 -183447.0006 -148996.3579 299.2650 -28.0068 2.3058 556973.1224 -12.2707 -12.2330 PRESSURE: 2781200 -56.2813 32.6866 160.435 32.6855 156.295 -46.1256 160.436 -46.1253 -213.148 GPRESSURE: 2781200 1.11107 -69.7982 129.048 33.0139 151.591 34.042 126.754 -22.6363 -167.857 PRESSAVG: 2781200 18.2703 -11.9574 42.8462 -11.9575 1.94109 1.64425 42.8464 1.64428 -42.7052 GPRESSAVG: 2781200 18.3481 -13.9908 44.0742 -9.09766 2.47972 2.59155 41.7914 0.502409 -43.3543 TIMING: 2781200 CPU: 8070.57, 0.00292638/step Wall: 8070.57, 0.00292638/step, 1.80362 hours remaining, 206.085938 MB of memory in use. ENERGY: 2781200 747.1488 2026.1202 1980.8017 106.9847 -205942.7764 17733.3729 0.0000 0.0000 34376.2363 -148972.1118 300.2162 -183348.3481 -148876.1407 300.3270 -37.7117 -5.0517 557623.0217 -7.4980 -7.5088 PRESSURE: 2781400 -259.724 107.708 117.289 107.706 -129.817 9.98658 117.288 9.98643 -197.954 GPRESSURE: 2781400 -148.321 174.177 -49.5039 136.364 -98.8255 13.9362 174.747 73.9968 -241.338 PRESSAVG: 2781400 20.3365 -9.87363 -23.0419 -9.87355 2.47752 43.3198 -23.0418 43.3197 -52.7535 GPRESSAVG: 2781400 21.7165 -8.99444 -24.7412 -10.7652 2.89788 45.0069 -20.9473 41.4862 -53.7807 TIMING: 2781400 CPU: 8071.16, 0.00294887/step Wall: 8071.16, 0.00294887/step, 1.81732 hours remaining, 206.085938 MB of memory in use. ENERGY: 2781400 770.2837 2118.5889 1965.7395 107.6551 -205545.7551 17356.9905 0.0000 0.0000 34258.5352 -148967.9621 299.1883 -183226.4974 -148867.7481 299.7525 -195.8319 -162.8283 557239.1488 -9.9798 -9.7221 PRESSURE: 2781600 -109.08 101.787 18.8471 101.787 18.9085 -34.3199 18.8477 -34.3198 -120.762 GPRESSURE: 2781600 -132.15 107.458 37.2501 89.916 77.9584 60.744 -54.5007 -240.643 -69.3875 PRESSAVG: 2781600 -11.7454 -11.1667 -36.8154 -11.1667 103.883 34.6212 -36.8154 34.6212 -61.6322 GPRESSAVG: 2781600 -12.7972 -9.96739 -36.9876 -12.507 103.763 32.2386 -39.1549 36.181 -60.7401 TIMING: 2781600 CPU: 8071.75, 0.00291356/step Wall: 8071.75, 0.00291356/step, 1.7954 hours remaining, 206.085938 MB of memory in use. ENERGY: 2781600 718.0208 2089.2893 1984.3485 107.0024 -205653.4071 17533.3954 0.0000 0.0000 34310.5640 -148910.7868 299.6427 -183221.3508 -148813.0139 299.5513 -70.3111 -41.1931 558111.8676 10.1683 10.0752 PRESSURE: 2781800 -201.516 -20.6462 188.436 -20.6484 37.7636 41.8581 188.436 41.8574 -159.521 GPRESSURE: 2781800 -157.519 45.0304 214.91 -9.31835 49.0539 43.1885 129.359 61.1581 -134.932 PRESSAVG: 2781800 30.0059 -28.1646 -13.1278 -28.1646 16.3883 -6.75972 -13.1278 -6.75971 -49.7186 GPRESSAVG: 2781800 29.987 -28.2575 -12.2101 -27.2425 16.3448 -4.18474 -14.5272 -7.53102 -49.9839 TIMING: 2781800 CPU: 8072.32, 0.00288932/step Wall: 8072.32, 0.00288932/step, 1.7803 hours remaining, 206.085938 MB of memory in use. ENERGY: 2781800 743.9126 2130.7192 1952.3900 112.7929 -205923.5429 17564.8906 0.0000 0.0000 34497.1795 -148921.6581 301.2724 -183418.8376 -148828.3841 299.5912 -107.7576 -81.1322 556873.6682 -1.1081 -1.2174 PRESSURE: 2782000 192.247 -117.429 -6.5847 -117.428 78.0963 -14.6395 -6.58485 -14.6403 -147.094 GPRESSURE: 2782000 212.117 -120.047 -27.5763 -121.14 35.8449 -96.9945 -27.6095 39.1141 -29.4083 PRESSAVG: 2782000 0.0456612 -2.22122 -25.6358 -2.22123 0.789473 -40.1283 -25.6358 -40.1283 -3.03637 GPRESSAVG: 2782000 -0.789741 -0.817234 -24.8977 -3.37348 1.5075 -42.1146 -22.7457 -38.5398 -2.97302 TIMING: 2782000 CPU: 8072.9, 0.00289639/step Wall: 8072.9, 0.00289639/step, 1.7845 hours remaining, 206.085938 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: 2782000 736.2585 2110.5804 1960.1745 124.8599 -206193.4406 17867.1238 0.0000 0.0000 34378.6534 -149015.7901 300.2373 -183394.4435 -148919.9686 300.4009 41.0830 72.8512 555861.9671 -0.7337 -0.7518 PRESSURE: 2782200 41.0642 -40.9779 -12.5022 -40.9794 43.0527 -33.6525 -12.5005 -33.6529 18.8009 GPRESSURE: 2782200 57.4678 -59.4274 -19.4229 -59.0298 105.445 -53.3736 -64.6885 -55.74 27.7666 PRESSAVG: 2782200 -28.5282 -11.5845 4.91417 -11.5845 36.2215 -40.8169 4.91414 -40.8167 -44.5497 GPRESSAVG: 2782200 -28.2939 -12.519 2.99164 -10.9237 36.306 -40.6731 4.37516 -41.38 -45.0774 TIMING: 2782200 CPU: 8073.48, 0.00288543/step Wall: 8073.48, 0.00288543/step, 1.77759 hours remaining, 206.085938 MB of memory in use. ENERGY: 2782200 722.5055 2086.3616 1967.5672 120.8506 -205904.3861 17725.0456 0.0000 0.0000 34363.0755 -148918.9800 300.1013 -183282.0555 -148822.2071 299.6755 34.3060 63.5597 556846.7593 -12.2855 -12.3551 PRESSURE: 2782400 61.492 -35.3028 43.3031 -35.3032 -14.4709 41.4328 43.304 41.4339 82.0454 GPRESSURE: 2782400 66.7332 -15.7119 57.6273 9.71801 43.8616 15.2355 89.585 85.7362 116.592 PRESSAVG: 2782400 21.66 12.6754 0.0332348 12.6755 -5.88285 -3.28711 0.0332516 -3.287 -24.4547 GPRESSAVG: 2782400 21.0682 11.8882 0.387139 13.6295 -7.09678 -2.03329 -0.678923 -4.33801 -22.634 TIMING: 2782400 CPU: 8074.06, 0.0029204/step Wall: 8074.06, 0.0029204/step, 1.79897 hours remaining, 206.152344 MB of memory in use. ENERGY: 2782400 755.6122 2093.5208 1968.4167 115.4758 -206270.6956 17865.1535 0.0000 0.0000 34579.2634 -148893.2531 301.9893 -183472.5165 -148799.4638 299.8786 43.0222 75.7288 556068.5409 -2.8925 -2.8875 PRESSURE: 2782600 45.0954 39.0072 4.57506 39.0068 50.613 216.458 4.57505 216.46 -71.101 GPRESSURE: 2782600 32.6856 -18.8751 19.8896 97.7314 47.8825 184.546 -14.3887 121.969 42.9175 PRESSAVG: 2782600 10.192 -0.489841 8.02695 -0.489911 46.6235 32.1974 8.02685 32.1975 -25.5851 GPRESSAVG: 2782600 9.70054 -1.40652 7.4428 -0.0608226 46.3621 31.0363 8.58194 33.007 -25.7726 TIMING: 2782600 CPU: 8074.64, 0.00288829/step Wall: 8074.64, 0.00288829/step, 1.77903 hours remaining, 206.152344 MB of memory in use. ENERGY: 2782600 717.3859 2148.4078 1969.1555 122.5264 -205951.5376 17702.8591 0.0000 0.0000 34363.7358 -148927.4672 300.1071 -183291.2030 -148827.5744 300.1920 8.2024 41.1619 556499.2197 10.4101 10.0967 PRESSURE: 2782800 -125.604 -56.3624 11.2058 -56.3646 -185.015 -72.2747 11.2049 -72.2739 -142.31 GPRESSURE: 2782800 -113.371 -102.147 -13.7757 55.8935 -122.971 5.61993 4.36077 -82.5205 -118.762 PRESSAVG: 2782800 -57.2337 6.49371 -0.00416385 6.4937 34.562 -24.3205 -0.00411743 -24.3206 9.0005 GPRESSAVG: 2782800 -57.1778 8.90699 -0.0134361 4.56377 34.3491 -23.4714 -0.78386 -21.9412 9.40009 TIMING: 2782800 CPU: 8075.22, 0.00289295/step Wall: 8075.22, 0.00289295/step, 1.78173 hours remaining, 206.152344 MB of memory in use. ENERGY: 2782800 720.9699 2083.9660 1962.6058 111.6780 -205829.6932 17534.7823 0.0000 0.0000 34414.3015 -149001.3897 300.5487 -183415.6912 -148903.3850 299.6961 -150.9764 -118.3680 558538.0856 -4.5570 -4.4762 PRESSURE: 2783000 -104.019 -91.2776 -84.8862 -91.2786 -177.688 -12.1183 -84.8853 -12.1191 -73.3866 GPRESSURE: 2783000 -65.9444 -20.6113 -187.442 -166.139 -125.484 -8.34307 -24.7748 -79.8795 -66.6909 PRESSAVG: 2783000 -41.6723 -29.0231 -12.0537 -29.0231 8.63771 37.1298 -12.0537 37.1299 38.8865 GPRESSAVG: 2783000 -40.4793 -29.7967 -12.1066 -27.1879 8.45643 36.6183 -11.3402 35.6589 37.7245 TIMING: 2783000 CPU: 8075.8, 0.00287638/step Wall: 8075.8, 0.00287638/step, 1.77137 hours remaining, 206.152344 MB of memory in use. ENERGY: 2783000 736.0048 2138.5374 1988.4189 116.7581 -205965.2655 17670.2153 0.0000 0.0000 34175.8051 -149139.5259 298.4658 -183315.3310 -149048.2572 299.2740 -118.3645 -86.0398 558946.2174 1.9506 1.9005 PRESSURE: 2783200 -341.317 -117.367 91.1675 -117.367 94.5685 115.45 91.1676 115.451 -108.851 GPRESSURE: 2783200 -267.98 -159.701 37.4613 -117.604 103.883 132.44 76.1742 103.056 -102.476 PRESSAVG: 2783200 30.6838 -47.7509 -12.7084 -47.751 -4.57104 31.3039 -12.7084 31.3039 -23.6083 GPRESSAVG: 2783200 31.0581 -49.0248 -11.3189 -47.9076 -5.18078 31.6599 -11.6389 30.0815 -23.5729 TIMING: 2783200 CPU: 8076.37, 0.00288006/step Wall: 8076.37, 0.00288006/step, 1.77348 hours remaining, 206.152344 MB of memory in use. ENERGY: 2783200 730.6590 2104.7785 1995.9136 122.5146 -205773.9967 17630.2270 0.0000 0.0000 34214.9623 -148974.9416 298.8078 -183189.9039 -148880.2534 298.3994 -118.5330 -88.8580 559956.5481 0.8348 0.7681 PRESSURE: 2783400 57.9356 -111.32 -49.01 -111.319 -205.656 -44.2513 -49.0101 -44.2523 -15.5477 GPRESSURE: 2783400 96.4165 -147.5 -86.2625 -27.7787 -185.012 -7.72396 -84.3179 -39.2271 23.9877 PRESSAVG: 2783400 -37.2287 -3.90883 21.5109 -3.90892 15.003 26.2097 21.5108 26.2097 12.746 GPRESSAVG: 2783400 -37.4181 -3.61684 21.47 -3.59871 16.4322 26.8887 19.3698 26.7958 11.9435 TIMING: 2783400 CPU: 8076.95, 0.00290158/step Wall: 8076.95, 0.00290158/step, 1.78657 hours remaining, 206.152344 MB of memory in use. ENERGY: 2783400 787.0395 2155.1191 1979.7445 117.3439 -205951.5893 17790.9387 0.0000 0.0000 34070.1074 -149051.2962 297.5427 -183121.4036 -148960.7273 299.4424 -54.4226 -21.5360 558321.0818 -3.1599 -3.0141 PRESSURE: 2783600 -148.599 35.2193 16.4453 35.2184 18.6527 149.707 16.4448 149.706 35.0021 GPRESSURE: 2783600 -51.942 63.1897 -66.397 -21.1234 49.1798 88.735 18.8271 153.07 3.46524 PRESSAVG: 2783600 6.72956 -35.8126 -44.7494 -35.8125 -41.1494 -34.6356 -44.7493 -34.6355 18.267 GPRESSAVG: 2783600 7.06004 -34.6479 -45.059 -37.3612 -42.4269 -36.5964 -43.5016 -33.65 19.5945 TIMING: 2783600 CPU: 8077.53, 0.00288943/step Wall: 8077.53, 0.00288943/step, 1.77892 hours remaining, 206.152344 MB of memory in use. ENERGY: 2783600 707.0771 2079.2764 1968.6922 108.3303 -205765.2237 17706.8642 0.0000 0.0000 34229.0767 -148965.9068 298.9310 -183194.9835 -148863.8296 299.2724 -31.6482 0.2343 558186.6376 -5.3843 -5.2575 PRESSURE: 2783800 -13.3633 -86.7461 -54.0461 -86.7463 -117.325 -9.94474 -54.0484 -9.94434 8.0062 GPRESSURE: 2783800 27.724 -142.131 -91.9155 -151.116 -38.3661 -31.9236 -62.9663 13.3431 -15.9979 PRESSAVG: 2783800 65.6599 -58.9133 -11.6303 -58.9134 -88.113 -45.4139 -11.6303 -45.4139 -27.2155 GPRESSAVG: 2783800 66.2568 -58.8868 -9.87366 -56.1564 -88.0591 -42.9089 -11.8541 -45.1101 -27.6642 TIMING: 2783800 CPU: 8078.11, 0.00288286/step Wall: 8078.11, 0.00288286/step, 1.77472 hours remaining, 206.152344 MB of memory in use. ENERGY: 2783800 751.3196 2136.8711 1965.1155 120.1033 -205971.8421 17737.3892 0.0000 0.0000 34374.6473 -148886.3961 300.2023 -183261.0434 -148785.3487 299.8374 -40.8939 -8.8800 558810.3488 -16.5562 -16.4888 PRESSURE: 2784000 -165.829 -16.574 53.67 -16.5743 -271.517 15.2757 53.6697 15.2769 -149.985 GPRESSURE: 2784000 -113.392 7.78712 -23.8046 -56.1822 -236.566 -49.0326 99.5452 56.7 -139.525 PRESSAVG: 2784000 -59.8361 -70.7466 1.08242 -70.7466 8.85084 -11.4358 1.08258 -11.4357 38.149 GPRESSAVG: 2784000 -60.3002 -70.8637 1.88617 -72.3137 8.59388 -12.3581 2.44236 -12.1147 38.9325 TIMING: 2784000 CPU: 8078.68, 0.00288753/step Wall: 8078.68, 0.00288753/step, 1.77743 hours remaining, 206.152344 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: 2784000 770.8077 2145.8296 1996.3664 116.7030 -205275.5571 17376.2051 0.0000 0.0000 34060.1179 -148809.5273 297.4555 -182869.6453 -148713.8802 299.7074 -195.7771 -163.1607 557891.5699 -4.2788 -4.2579 PRESSURE: 2784200 77.3174 66.8837 -135.009 66.884 117.206 71.6675 -135.009 71.6677 -44.6401 GPRESSURE: 2784200 125.476 12.7862 -217.739 125.305 125.922 89.6804 -79.8372 -2.41058 -2.62085 PRESSAVG: 2784200 -54.4786 43.3895 28.415 43.3896 47.7102 10.3778 28.4151 10.3779 22.5762 GPRESSAVG: 2784200 -53.8586 44.074 26.0823 42.6531 48.6502 10.1011 29.1797 9.09576 21.5801 TIMING: 2784200 CPU: 8079.27, 0.00291083/step Wall: 8079.27, 0.00291083/step, 1.79161 hours remaining, 206.152344 MB of memory in use. ENERGY: 2784200 740.4900 2094.1014 1974.5614 114.9414 -205884.3759 17825.4232 0.0000 0.0000 34319.9418 -148814.9168 299.7246 -183134.8586 -148714.7782 299.1683 49.9610 82.9258 557271.4650 5.2693 5.4572 LDB: ============= START OF LOAD BALANCING ============== 8082.73 LDB: ============== END OF LOAD BALANCING =============== 8082.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8082.73 LDB: ============= START OF LOAD BALANCING ============== 8083.02 LDB: Largest compute 4821 load 0.031601 is 26.9% of average load 0.117691 LDB: Average compute 0.001734 is 1.5% of average load 0.117691 LDB: TIME 8083.03 LOAD: AVG 0.117691 MAX 0.178567 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 8083.03 LOAD: AVG 0.117691 MAX 0.178567 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 8083.03 LOAD: AVG 0.117691 MAX 0.178567 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: ============== END OF LOAD BALANCING =============== 8083.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8083.03 PRESSURE: 2784400 -103.151 11.9337 -33.8196 11.933 225.341 29.7006 -33.818 29.7009 -42.2068 GPRESSURE: 2784400 -63.1955 69.4944 -68.7327 0.796837 221.347 48.5952 41.1144 92.953 6.26555 PRESSAVG: 2784400 -43.5326 10.8282 -43.6494 10.8281 80.9396 1.71357 -43.6494 1.71368 -33.8012 GPRESSAVG: 2784400 -45.0361 11.8268 -42.4193 8.89593 80.4061 0.873722 -43.7701 2.62922 -32.4491 TIMING: 2784400 CPU: 8079.86, 0.00295947/step Wall: 8079.86, 0.00295947/step, 1.82139 hours remaining, 206.648438 MB of memory in use. ENERGY: 2784400 728.8351 2154.7470 1962.8863 102.2893 -206038.5142 17898.2716 0.0000 0.0000 34477.2083 -148714.2767 301.0980 -183191.4850 -148621.6375 300.3326 26.6612 54.8058 557352.8789 1.2019 0.9736 PRESSURE: 2784600 81.5581 -61.1469 -113.615 -61.1458 292.112 65.8582 -113.614 65.8564 -80.2357 GPRESSURE: 2784600 122.266 -126.48 -83.8559 -34.279 347.091 109.778 -142.908 46.6825 -65.4635 PRESSAVG: 2784600 -42.9811 -57.9064 -65.1837 -57.9064 58.5828 -72.9116 -65.1836 -72.9117 31.5711 GPRESSAVG: 2784600 -41.1633 -60.1528 -67.7764 -53.6591 58.6484 -73.0695 -64.4221 -72.8883 30.2574 TIMING: 2784600 CPU: 8080.44, 0.00290547/step Wall: 8080.44, 0.00290547/step, 1.78799 hours remaining, 206.851562 MB of memory in use. ENERGY: 2784600 733.1600 2160.2233 1978.9131 95.3945 -206054.5513 17968.2693 0.0000 0.0000 34413.7926 -148704.7985 300.5442 -183118.5911 -148615.5046 300.4694 97.8114 134.6311 559708.8628 15.7243 15.9142 PRESSURE: 2784800 -314.026 56.2485 -196.386 56.2481 147.373 74.0993 -196.385 74.0991 -51.921 GPRESSURE: 2784800 -295.844 89.0265 -171.004 12.3165 193.084 96.4596 -251.788 113.574 -15.653 PRESSAVG: 2784800 1.32079 23.1028 -38.9862 23.1029 28.8853 12.4731 -38.9862 12.4732 -53.4274 GPRESSAVG: 2784800 0.939034 22.3847 -37.498 22.1342 29.3581 13.2903 -40.3016 13.0698 -53.5408 TIMING: 2784800 CPU: 8081.02, 0.00290347/step Wall: 8081.02, 0.00290347/step, 1.7866 hours remaining, 206.851562 MB of memory in use. ENERGY: 2784800 754.0845 2130.0386 1978.0823 115.5948 -205806.1220 17690.9963 0.0000 0.0000 34310.3776 -148826.9480 299.6411 -183137.3256 -148736.8080 300.4206 -72.8578 -39.4709 560507.0609 -7.7405 -7.7479 PRESSURE: 2785000 -108.294 6.22978 158.089 6.23064 -168.333 -204.234 158.088 -204.234 -289.906 GPRESSURE: 2785000 -87.7119 -12.9743 166.438 47.7045 -118.348 -201.567 38.3936 -194.612 -263.284 PRESSAVG: 2785000 -21.8235 -46.0434 -14.3556 -46.0435 44.8544 -3.65969 -14.3555 -3.65957 11.231 GPRESSAVG: 2785000 -21.8525 -44.079 -15.3576 -46.1798 44.0073 -4.44878 -12.2149 -3.71537 12.2387 TIMING: 2785000 CPU: 8081.6, 0.00291256/step Wall: 8081.6, 0.00291256/step, 1.79203 hours remaining, 206.851562 MB of memory in use. ENERGY: 2785000 778.0574 2150.1659 1968.3090 117.5674 -205820.3402 17591.6758 0.0000 0.0000 34449.0291 -148765.5356 300.8519 -183214.5647 -148673.0202 300.4160 -188.8445 -156.4479 559546.2984 11.4206 11.4645 PRESSURE: 2785200 119.761 -127.758 -41.433 -127.757 107.076 -103.208 -41.4349 -103.207 241.27 GPRESSURE: 2785200 146.578 -113.507 42.7919 -105.606 98.6282 -145.253 -35.3993 -24.8247 319.425 PRESSAVG: 2785200 41.9847 -32.1218 7.52567 -32.1219 -48.326 -6.52214 7.52558 -6.52226 26.2581 GPRESSAVG: 2785200 41.983 -32.9683 8.6648 -32.9446 -47.5292 -6.445 5.018 -7.20153 25.7661 TIMING: 2785200 CPU: 8082.18, 0.00290492/step Wall: 8082.18, 0.00290492/step, 1.78717 hours remaining, 206.851562 MB of memory in use. ENERGY: 2785200 752.7629 2110.4498 1965.9181 122.2164 -206028.6083 18067.6585 0.0000 0.0000 34196.2490 -148813.3536 298.6443 -183009.6026 -148725.3725 300.0877 156.0358 188.2103 558784.6907 6.6389 6.7400 PRESSURE: 2785400 -73.7966 57.3256 -208.568 57.3257 116.814 113.772 -208.568 113.77 -91.4537 GPRESSURE: 2785400 -32.9046 60.955 -140.71 28.2687 154.099 92.871 -238.079 110.944 -63.9001 PRESSAVG: 2785400 -34.8132 33.917 -29.6992 33.917 14.4731 -16.5561 -29.6992 -16.556 18.8462 GPRESSAVG: 2785400 -34.8047 37.8117 -29.1404 31.0966 13.9252 -16.1021 -30.0979 -16.0498 19.3451 TIMING: 2785400 CPU: 8082.77, 0.00292785/step Wall: 8082.77, 0.00292785/step, 1.80112 hours remaining, 206.851562 MB of memory in use. ENERGY: 2785400 750.8028 2075.5507 1965.9818 108.3735 -206183.5934 17821.9315 0.0000 0.0000 34486.7458 -148974.2072 301.1813 -183460.9530 -148885.5288 299.9571 -16.1454 19.0981 558355.8620 -0.4979 -0.5114 PRESSURE: 2785600 -57.7173 -72.7078 -76.3968 -72.7065 113.305 -55.2735 -76.3964 -55.2747 105.444 GPRESSURE: 2785600 -68.791 -55.0182 -121.865 -202.699 175.43 -91.0513 -64.9512 20.4815 148.226 PRESSAVG: 2785600 -56.1121 -3.19968 -12.9163 -3.19971 110.116 -55.6679 -12.9163 -55.6681 -12.276 GPRESSAVG: 2785600 -55.8154 -4.09866 -14.7504 0.255983 109.821 -55.4162 -11.8885 -56.8275 -12.0628 TIMING: 2785600 CPU: 8083.35, 0.00290811/step Wall: 8083.35, 0.00290811/step, 1.78881 hours remaining, 206.851562 MB of memory in use. ENERGY: 2785600 714.9216 2100.4914 1946.9840 108.8390 -206050.5278 17712.8304 0.0000 0.0000 34397.7162 -149068.7453 300.4038 -183466.4615 -148971.6377 299.6616 53.6773 84.9551 556359.5569 13.9094 13.9810 PRESSURE: 2785800 49.8009 -220.442 -95.3924 -220.442 53.9511 -39.4517 -95.3931 -39.4511 160.925 GPRESSURE: 2785800 71.171 -188.31 -79.2711 -247.385 116.246 48.2511 -116.258 -46.616 171.472 PRESSAVG: 2785800 -14.1541 -16.9976 -24.7122 -16.9975 -12.5958 -26.6353 -24.7122 -26.6354 54.4469 GPRESSAVG: 2785800 -13.4926 -18.1671 -21.8552 -19.1038 -12.0338 -27.1528 -26.1125 -27.4707 53.6068 TIMING: 2785800 CPU: 8083.93, 0.00291388/step Wall: 8083.93, 0.00291388/step, 1.7922 hours remaining, 206.851562 MB of memory in use. ENERGY: 2785800 738.4228 2115.7437 1964.5625 112.6429 -206397.0067 17979.0593 0.0000 0.0000 34362.6662 -149123.9094 300.0977 -183486.5757 -149028.4195 299.4805 88.2258 119.6297 556190.7068 9.2323 9.3601 PRESSURE: 2786000 -148.792 -100.788 1.07136 -100.787 -135.091 -67.8252 1.07129 -67.8267 -227.265 GPRESSURE: 2786000 -54.7709 -20.69 -84.8954 -111.803 -154.257 -87.5913 22.0658 -66.8947 -199.621 PRESSAVG: 2786000 -33.7243 -14.6538 -30.3423 -14.6538 25.4129 -22.0984 -30.3423 -22.0984 -13.6026 GPRESSAVG: 2786000 -33.7281 -14.4429 -32.281 -11.0729 23.7743 -21.9644 -28.9269 -20.7372 -11.8364 TIMING: 2786000 CPU: 8084.51, 0.00287533/step Wall: 8084.51, 0.00287533/step, 1.76833 hours remaining, 206.851562 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: 2786000 760.0754 2049.5162 1971.7145 114.5544 -205414.3584 17359.3716 0.0000 0.0000 34051.4660 -149107.6602 297.3799 -183159.1262 -149005.8253 298.9224 -170.3828 -136.2161 557915.5804 -7.3047 -7.2634 PRESSURE: 2786200 36.0552 -113.906 83.1368 -113.904 -127.775 -142.188 83.1365 -142.189 42.9923 GPRESSURE: 2786200 69.5398 -140.971 75.7091 -95.1988 -68.492 -16.4118 41.3815 -195.828 35.7722 PRESSAVG: 2786200 -10.7238 -60.386 -29.7796 -60.386 35.1889 -42.8866 -29.7796 -42.8867 15.2162 GPRESSAVG: 2786200 -11.1251 -59.3188 -27.1627 -61.7518 36.9979 -42.2964 -31.9827 -43.2662 14.459 TIMING: 2786200 CPU: 8085.09, 0.00291475/step Wall: 8085.09, 0.00291475/step, 1.79241 hours remaining, 206.851562 MB of memory in use. ENERGY: 2786200 753.4377 2090.2964 1976.7772 109.4244 -205833.2410 17651.2186 0.0000 0.0000 34293.2498 -148958.8369 299.4915 -183252.0867 -148858.8604 299.9731 -16.2425 12.2733 557451.9261 13.2271 13.4439 PRESSURE: 2786400 9.46411 18.0629 -68.2263 18.0617 154.128 -97.665 -68.2265 -97.6644 -38.2459 GPRESSURE: 2786400 8.86755 17.5734 4.73686 -35.7014 232.475 -147.978 -163.954 -29.153 -25.6528 PRESSAVG: 2786400 -6.21944 32.8864 -31.5977 32.8865 4.75707 -46.3742 -31.5977 -46.3743 -3.64815 GPRESSAVG: 2786400 -5.66346 32.4212 -32.1091 32.1881 4.67581 -47.4269 -31.3377 -44.652 -3.98027 TIMING: 2786400 CPU: 8085.67, 0.0029155/step Wall: 8085.67, 0.0029155/step, 1.79271 hours remaining, 206.851562 MB of memory in use. ENERGY: 2786400 744.8818 2096.1091 1963.5253 116.0034 -205572.5001 17556.7229 0.0000 0.0000 34368.0818 -148727.1758 300.1450 -183095.2576 -148633.0902 300.3417 41.7820 71.8965 558120.3390 -1.7035 -1.6560 PRESSURE: 2786600 294.011 15.5748 -59.2047 15.5759 -43.9594 30.4669 -59.2056 30.4673 228.519 GPRESSURE: 2786600 404.169 45.223 -104.134 55.3284 -42.2528 3.43019 -78.4179 -64.1351 213.725 PRESSAVG: 2786600 -27.5175 72.0018 -69.6918 72.0018 17.2043 -43.1677 -69.6919 -43.1677 13.9684 GPRESSAVG: 2786600 -26.8433 70.9731 -71.6304 74.6041 17.0705 -42.5542 -69.4667 -43.7469 14.2697 TIMING: 2786600 CPU: 8086.26, 0.00290578/step Wall: 8086.26, 0.00290578/step, 1.78657 hours remaining, 207.152344 MB of memory in use. ENERGY: 2786600 761.7383 2082.0197 1962.0447 110.6143 -206009.6568 17904.5049 0.0000 0.0000 34363.2143 -148825.5206 300.1025 -183188.7349 -148731.8868 300.7067 159.5238 191.8801 557726.0287 1.2184 1.4990 PRESSURE: 2786800 -151.174 36.647 -225.764 36.647 -70.1401 7.1876 -225.765 7.18648 136.458 GPRESSURE: 2786800 -202.304 -50.914 -225.105 103.271 7.48026 33.9125 -173.323 -7.48941 202.641 PRESSAVG: 2786800 27.1314 61.0177 3.77933 61.0178 -19.7185 -15.2009 3.77932 -15.201 23.1747 GPRESSAVG: 2786800 26.0891 62.0877 5.06438 58.4548 -19.4105 -13.179 3.73413 -15.9036 23.8215 TIMING: 2786800 CPU: 8086.84, 0.00291271/step Wall: 8086.84, 0.00291271/step, 1.79067 hours remaining, 207.152344 MB of memory in use. ENERGY: 2786800 745.5170 2122.2034 1961.0230 108.4532 -205814.0023 17762.9587 0.0000 0.0000 34236.8099 -148877.0370 298.9986 -183113.8470 -148787.1331 300.2280 -28.2856 2.6057 559378.8039 10.1959 10.1667 PRESSURE: 2787000 -107.074 -125.054 60.7867 -125.054 -80.979 75.8608 60.7858 75.8589 -138.877 GPRESSURE: 2787000 -53.5831 -145.161 60.684 -95.6912 -73.8386 -32.4873 -3.02057 126.301 -103.88 PRESSAVG: 2787000 -93.9745 -38.7806 -38.5752 -38.7807 -5.39701 27.1626 -38.5752 27.1626 113.485 GPRESSAVG: 2787000 -94.3195 -39.4026 -38.1964 -37.8113 -5.86152 25.8139 -39.0988 26.5612 113.675 TIMING: 2787000 CPU: 8087.42, 0.00292994/step Wall: 8087.42, 0.00292994/step, 1.8011 hours remaining, 207.152344 MB of memory in use. ENERGY: 2787000 772.9238 2075.6288 1951.7233 117.5839 -205984.6696 17871.8703 0.0000 0.0000 34362.4224 -148832.5170 300.0956 -183194.9394 -148726.5710 300.4513 -108.9767 -77.1005 559181.1128 4.7046 4.4981 PRESSURE: 2787200 -313.391 -108.098 -25.0017 -108.097 -70.5592 -59.7953 -25.0011 -59.7961 -78.0642 GPRESSURE: 2787200 -252.104 -222.363 35.7898 -27.2031 -15.1561 -119.353 13.0808 -11.3615 -99.7176 PRESSAVG: 2787200 -101.652 -21.1986 36.7648 -21.1986 36.541 -27.1693 36.7648 -27.1693 79.2903 GPRESSAVG: 2787200 -100.794 -20.2553 36.4552 -20.1668 37.0937 -26.0809 37.7264 -27.805 77.7887 TIMING: 2787200 CPU: 8088.01, 0.00292085/step Wall: 8088.01, 0.00292085/step, 1.79535 hours remaining, 207.289062 MB of memory in use. ENERGY: 2787200 792.4175 2096.5030 1945.5195 131.1714 -205971.6139 17686.3577 0.0000 0.0000 34547.3671 -148772.2778 301.7107 -183319.6449 -148676.1478 299.7471 -154.0048 -122.3258 557887.0979 4.7265 4.6962 PRESSURE: 2787400 -205.118 87.2258 -37.1829 87.2265 -413.29 -11.0587 -37.1838 -11.0573 242.24 GPRESSURE: 2787400 -247.998 72.5423 -41.051 41.6416 -310.581 5.52841 -3.62637 40.6782 270.552 PRESSAVG: 2787400 26.9161 9.96169 6.83692 9.96171 -27.751 -57.178 6.83685 -57.1779 -5.44057 GPRESSAVG: 2787400 27.0051 8.84924 7.01783 9.74567 -26.9658 -57.3165 6.8167 -55.1182 -6.05193 TIMING: 2787400 CPU: 8088.59, 0.00290181/step Wall: 8088.59, 0.00290181/step, 1.78349 hours remaining, 207.289062 MB of memory in use. ENERGY: 2787400 769.7883 2090.5648 1975.0590 116.3769 -205593.5103 17478.1974 0.0000 0.0000 34441.5197 -148722.0043 300.7864 -183163.5240 -148631.3469 301.1967 -125.3894 -96.0086 559036.1095 -2.0918 -2.0042 PRESSURE: 2787600 -138.803 -5.4215 -11.9874 -5.42201 7.08167 -29.4098 -11.9861 -29.4089 -221.544 GPRESSURE: 2787600 -80.2499 -15.1857 9.40599 -42.0523 37.5338 -31.6799 -57.0885 27.9009 -224.353 PRESSAVG: 2787600 -27.6463 16.2789 -6.66487 16.2789 106.632 21.5009 -6.66491 21.501 -49.0722 GPRESSAVG: 2787600 -27.6812 15.2079 -7.1946 15.7396 105.978 18.8261 -8.13074 24.0288 -48.5565 TIMING: 2787600 CPU: 8089.17, 0.00290972/step Wall: 8089.17, 0.00290972/step, 1.78818 hours remaining, 207.289062 MB of memory in use. ENERGY: 2787600 763.6559 2041.5316 1973.0256 105.0716 -205915.2193 17762.0089 0.0000 0.0000 34420.8963 -148849.0293 300.6062 -183269.9257 -148754.2936 300.9536 -117.7552 -89.0229 559735.7086 9.9712 9.9134 PRESSURE: 2787800 -123.72 2.37461 25.5771 2.37565 -299.182 94.2759 25.5769 94.2761 -72.7704 GPRESSURE: 2787800 -115.886 -20.6385 -35.6083 -34.6573 -267.032 130.766 69.9237 83.2228 -5.6542 PRESSAVG: 2787800 33.214 19.7008 -47.8033 19.7009 -18.4761 -34.4327 -47.8034 -34.4327 0.985773 GPRESSAVG: 2787800 31.2466 20.0694 -48.0929 18.8898 -17.8258 -33.0683 -45.9458 -38.2922 2.61749 TIMING: 2787800 CPU: 8089.75, 0.00290048/step Wall: 8089.75, 0.00290048/step, 1.78235 hours remaining, 207.289062 MB of memory in use. ENERGY: 2787800 757.7839 2076.8529 1971.4157 108.9568 -205969.0190 17698.0977 0.0000 0.0000 34397.1856 -148958.7264 300.3992 -183355.9120 -148859.9480 300.3406 -165.2242 -129.5242 558207.7978 5.2412 5.3461 PRESSURE: 2788000 -66.4584 -55.7191 40.7051 -55.7188 82.7099 27.9571 40.7049 27.9577 74.5963 GPRESSURE: 2788000 -49.6746 -96.6522 96.208 -12.1365 158.194 94.6304 41.4789 37.0759 71.6102 PRESSAVG: 2788000 -38.0664 17.2095 61.7648 17.2097 59.5513 11.9264 61.7649 11.9264 36.227 GPRESSAVG: 2788000 -36.2073 16.9316 62.4228 19.2764 58.9441 11.9471 61.1891 14.0247 35.1398 TIMING: 2788000 CPU: 8090.32, 0.00287235/step Wall: 8090.32, 0.00287235/step, 1.7649 hours remaining, 207.289062 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: 2788000 697.7153 2101.0980 1960.3760 127.3724 -205676.1359 17799.3836 0.0000 0.0000 34102.5232 -148887.6675 297.8258 -182990.1907 -148793.3745 299.4515 30.2826 60.0432 559362.6803 19.2373 19.2922 PRESSURE: 2788200 215.797 73.2901 233.886 73.2895 149.952 113.086 233.885 113.087 52.7322 GPRESSURE: 2788200 300.639 112.467 210.158 35.9999 160.59 130.084 204.023 118.831 64.8219 PRESSAVG: 2788200 -46.3606 14.8528 40.2794 14.8528 42.278 47.8488 40.2795 47.8487 -27.7108 GPRESSAVG: 2788200 -46.5163 13.9521 38.7399 15.9844 41.1025 48.9635 39.1858 46.3549 -26.3181 TIMING: 2788200 CPU: 8090.9, 0.00289276/step Wall: 8090.9, 0.00289276/step, 1.77728 hours remaining, 207.289062 MB of memory in use. ENERGY: 2788200 764.6789 2100.4999 1951.8020 119.7199 -206539.9953 18242.9974 0.0000 0.0000 34511.1382 -148849.1590 301.3944 -183360.2972 -148754.2631 299.8964 139.4936 175.3502 557605.8681 -10.5978 -10.5773 LDB: ============= START OF LOAD BALANCING ============== 8094.37 LDB: ============== END OF LOAD BALANCING =============== 8094.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8094.37 LDB: ============= START OF LOAD BALANCING ============== 8094.66 LDB: Largest compute 4821 load 0.030503 is 25.9% of average load 0.117738 LDB: Average compute 0.001719 is 1.5% of average load 0.117738 LDB: TIME 8094.66 LOAD: AVG 0.117738 MAX 0.180745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.258 MB LDB: TIME 8094.66 LOAD: AVG 0.117738 MAX 0.180745 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.457 MB LDB: TIME 8094.66 LOAD: AVG 0.117738 MAX 0.180745 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.457 MB LDB: ============== END OF LOAD BALANCING =============== 8094.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8094.67 PRESSURE: 2788400 -226.175 -27.0147 110.391 -27.0156 -50.1788 -34.7009 110.39 -34.7019 0.222245 GPRESSURE: 2788400 -211.521 -13.1546 195.609 30.2831 -23.5221 -33.0335 119.161 -86.5996 55.9253 PRESSAVG: 2788400 26.2182 7.49294 50.1038 7.49298 -13.3147 13.8252 50.1038 13.8252 -30.5684 GPRESSAVG: 2788400 25.4632 9.58765 50.2786 6.06597 -11.3453 12.58 51.391 13.4306 -31.6084 TIMING: 2788400 CPU: 8091.5, 0.0029614/step Wall: 8091.5, 0.0029614/step, 1.81929 hours remaining, 205.878906 MB of memory in use. ENERGY: 2788400 744.4849 2104.8221 1944.7128 109.3853 -205988.5957 17730.3107 0.0000 0.0000 34378.0888 -148976.7911 300.2324 -183354.8800 -148885.2327 300.3685 -92.0439 -59.7060 558630.5640 -5.8883 -5.8302 PRESSURE: 2788600 -103.576 -98.3024 -50.6819 -98.3012 -363.981 80.8286 -50.6821 80.8268 -118.541 GPRESSURE: 2788600 -34.9615 -76.0197 -65.4188 22.169 -325.038 122.648 -8.12348 121.586 -122.175 PRESSAVG: 2788600 -33.7107 -16.975 -52.1468 -16.9749 26.9167 21.3634 -52.1468 21.3635 16.2495 GPRESSAVG: 2788600 -33.8531 -17.2351 -49.7272 -15.8379 26.6149 20.7538 -53.4337 21.6049 16.9415 TIMING: 2788600 CPU: 8092.07, 0.00289108/step Wall: 8092.07, 0.00289108/step, 1.77593 hours remaining, 205.949219 MB of memory in use. ENERGY: 2788600 749.3219 2159.1590 1963.0240 142.7393 -205962.6081 17629.7064 0.0000 0.0000 34309.1124 -149009.5452 299.6300 -183318.6576 -148917.3376 300.0221 -195.3660 -160.7247 558564.9069 3.1518 3.2344 PRESSURE: 2788800 -323.915 236.197 -21.0554 236.198 89.8154 -4.19554 -21.056 -4.1946 -41.1326 GPRESSURE: 2788800 -294.533 265.875 80.6866 240.665 79.7295 35.3784 -61.2996 -14.8641 26.8869 PRESSAVG: 2788800 -40.2322 -16.0896 -10.0274 -16.0895 18.5754 23.9966 -10.0273 23.9966 58.9823 GPRESSAVG: 2788800 -39.185 -17.8769 -9.93936 -15.468 17.5129 24.124 -8.9274 23.9555 58.8746 TIMING: 2788800 CPU: 8092.65, 0.00289322/step Wall: 8092.65, 0.00289322/step, 1.77708 hours remaining, 205.949219 MB of memory in use. ENERGY: 2788800 744.9286 2066.1818 1988.6432 112.4607 -206258.0062 17531.7745 0.0000 0.0000 34582.3994 -149231.6180 302.0167 -183814.0174 -149122.4063 300.0479 -91.7441 -62.6390 556677.1303 12.4418 12.4008 PRESSURE: 2789000 -98.1597 -150.66 98.5788 -150.661 -140.183 -146.995 98.5805 -146.995 -123.171 GPRESSURE: 2789000 -41.4173 -164.409 62.0351 -264.778 -109.476 -182.69 111.221 -125.671 -103.926 PRESSAVG: 2789000 -80.2345 -15.6247 13.1153 -15.6246 7.54009 -84.4721 13.1152 -84.4722 44.6618 GPRESSAVG: 2789000 -81.0862 -15.5346 13.7034 -17.6275 8.53143 -83.0066 12.7428 -84.7067 45.0197 TIMING: 2789000 CPU: 8093.23, 0.00289042/step Wall: 8093.23, 0.00289042/step, 1.7752 hours remaining, 205.949219 MB of memory in use. ENERGY: 2789000 771.7219 2057.3095 1947.5364 115.7572 -206165.0150 17807.3760 0.0000 0.0000 34204.1435 -149261.1704 298.7133 -183465.3139 -149160.6177 299.0545 -120.5047 -84.9398 557640.2344 -9.3442 -9.1783 PRESSURE: 2789200 -186.996 35.0591 78.2731 35.0591 -128.623 -68.3144 78.2737 -68.3129 -133.359 GPRESSURE: 2789200 -78.4142 78.7225 95.7615 93.3124 -155.951 -80.8854 -6.27893 -26.4698 -112.992 PRESSAVG: 2789200 -33.0617 2.95634 -15.3006 2.95632 29.676 -6.06685 -15.3006 -6.06701 -16.4813 GPRESSAVG: 2789200 -32.8817 3.83527 -18.1727 2.97027 29.5194 -6.30004 -13.5387 -4.37578 -16.3947 TIMING: 2789200 CPU: 8093.81, 0.0029123/step Wall: 8093.81, 0.0029123/step, 1.78848 hours remaining, 205.949219 MB of memory in use. ENERGY: 2789200 724.0479 2026.2412 1990.9588 127.2194 -205690.1082 17587.9045 0.0000 0.0000 33962.6386 -149271.0978 296.6042 -183233.7364 -149179.0711 298.0454 -149.6593 -115.7857 557607.8953 -6.6223 -6.5857 PRESSURE: 2789400 -13.2806 -1.22331 -153.416 -1.22314 106.612 261.882 -153.416 261.88 -225.704 GPRESSURE: 2789400 -2.87008 73.3922 -104.5 -17.996 143.785 265.904 -250.188 297.313 -174.035 PRESSAVG: 2789400 -45.2167 10.4121 28.4466 10.4121 73.786 27.0477 28.4465 27.0477 -29.7115 GPRESSAVG: 2789400 -46.0314 9.41554 29.4883 11.5659 74.1346 27.6811 26.1992 25.5725 -29.0382 TIMING: 2789400 CPU: 8094.39, 0.00288598/step Wall: 8094.39, 0.00288598/step, 1.77215 hours remaining, 205.949219 MB of memory in use. ENERGY: 2789400 755.1737 2079.6367 1947.7956 107.3148 -206138.5363 17705.9281 0.0000 0.0000 34281.1771 -149261.5102 299.3860 -183542.6873 -149159.6319 298.5822 -44.1243 -11.0400 558011.9925 -0.3807 -0.3117 PRESSURE: 2789600 -1.43157 -47.2468 -147.392 -47.2454 -245.864 -97.4747 -147.393 -97.4751 99.7666 GPRESSURE: 2789600 -4.48074 -67.4109 -122.992 -25.7119 -190.685 -99.3721 -176.998 -155.38 142.194 PRESSAVG: 2789600 43.4144 -18.589 24.3651 -18.589 7.5497 -9.8472 24.365 -9.84706 -34.1533 GPRESSAVG: 2789600 44.9408 -17.9861 25.8891 -19.4759 6.80095 -12.3697 24.8341 -9.67934 -34.9209 TIMING: 2789600 CPU: 8094.97, 0.00290432/step Wall: 8094.97, 0.00290432/step, 1.78325 hours remaining, 205.949219 MB of memory in use. ENERGY: 2789600 717.1031 2110.8955 1984.4633 122.2069 -205832.9414 17734.3671 0.0000 0.0000 34078.1614 -149085.7439 297.6131 -183163.9054 -148983.6532 298.9858 -49.1763 -17.6572 556898.2296 5.6036 5.6069 PRESSURE: 2789800 203.905 20.7644 -8.80774 20.7649 85.5619 101.938 -8.80889 101.938 -59.2853 GPRESSURE: 2789800 271.718 5.66669 96.3004 -1.67769 93.9226 174.661 -94.5685 93.475 -54.8991 PRESSAVG: 2789800 30.5632 44.3869 9.18295 44.3869 -20.829 42.7668 9.18293 42.7669 -32.1053 GPRESSAVG: 2789800 30.5823 45.4064 7.45105 43.9834 -19.8222 43.8513 9.5755 42.3925 -32.8166 TIMING: 2789800 CPU: 8095.55, 0.00291499/step Wall: 8095.55, 0.00291499/step, 1.78964 hours remaining, 205.949219 MB of memory in use. ENERGY: 2789800 728.7983 2122.2442 1979.5713 109.1366 -206478.7365 17998.1511 0.0000 0.0000 34231.3470 -149309.4880 298.9509 -183540.8350 -149220.0323 299.1236 76.7271 103.5804 556485.2507 -7.4570 -7.3522 PRESSURE: 2790000 134.689 90.8826 50.3365 90.8808 -70.9524 -82.3379 50.3379 -82.339 -23.1393 GPRESSURE: 2790000 182.367 177.74 -11.9656 -22.9417 -35.0643 -49.1422 93.2292 -69.606 -22.1962 PRESSAVG: 2790000 -46.2327 10.8243 -38.2269 10.8242 24.3689 7.7593 -38.2268 7.75935 17.9046 GPRESSAVG: 2790000 -46.7366 10.0894 -38.3298 11.3571 24.544 7.59343 -36.8167 8.86778 17.9766 TIMING: 2790000 CPU: 8096.13, 0.0028927/step Wall: 8096.13, 0.0028927/step, 1.7758 hours remaining, 206.152344 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: 2790000 744.0814 2126.9623 1983.1208 118.7314 -206241.8241 17792.3306 0.0000 0.0000 34050.6924 -149425.9051 297.3732 -183476.5975 -149334.6249 298.8126 13.5326 41.7023 557271.2648 -1.3197 -1.4053 PRESSURE: 2790200 -329.932 -0.98477 -24.3827 -0.985563 58.5306 41.6829 -24.3837 41.6825 -48.6677 GPRESSURE: 2790200 -283.586 0.297296 -21.2585 27.7858 36.6347 95.5177 -7.20592 18.9591 8.81796 PRESSAVG: 2790200 -60.1714 68.2572 12.1859 68.2572 -36.1785 48.6358 12.1858 48.6358 55.2349 GPRESSAVG: 2790200 -60.4494 66.0153 11.0218 68.0529 -37.5075 50.2935 10.6252 46.9771 56.3798 TIMING: 2790200 CPU: 8096.71, 0.0028774/step Wall: 8096.71, 0.00287741/step, 1.76625 hours remaining, 206.152344 MB of memory in use. ENERGY: 2790200 771.6587 2066.5053 1963.7571 123.7770 -206413.1626 17740.7765 0.0000 0.0000 34221.6916 -149524.9965 298.8665 -183746.6881 -149425.9469 298.8155 -106.6896 -79.3779 557616.9886 -13.7050 -13.8590 PRESSURE: 2790400 233.647 -153.867 -10.5581 -153.868 79.5359 -88.7676 -10.5596 -88.7666 311.503 GPRESSURE: 2790400 251.123 -125.447 30.8397 -214.241 97.4983 -135.773 60.104 -91.1825 354.346 PRESSAVG: 2790400 -58.9189 42.3326 -27.4481 42.3326 2.47743 30.889 -27.448 30.8891 53.6809 GPRESSAVG: 2790400 -58.6517 44.5225 -27.6436 42.0186 3.17101 28.8474 -26.2787 32.8327 52.4901 TIMING: 2790400 CPU: 8097.29, 0.0029211/step Wall: 8097.29, 0.0029211/step, 1.7929 hours remaining, 206.152344 MB of memory in use. ENERGY: 2790400 755.8662 2039.5086 1984.7108 108.9034 -206594.2820 18141.8926 0.0000 0.0000 33939.0800 -149624.3204 296.3984 -183563.4005 -149527.1501 298.3654 208.2285 234.3222 556227.3099 -0.9202 -0.9969 PRESSURE: 2790600 -115.564 3.03663 258.53 3.03644 -81.2135 127.909 258.531 127.908 -322.526 GPRESSURE: 2790600 -92.2277 -22.8685 149.906 19.4801 -48.9908 129.59 283.882 121.635 -296.474 PRESSAVG: 2790600 -43.2401 -46.0668 -9.21138 -46.0669 -74.1353 -26.5549 -9.21142 -26.555 127.042 GPRESSAVG: 2790600 -44.1833 -47.8287 -8.75926 -45.9728 -73.6245 -24.3124 -9.82502 -29.0233 127.46 TIMING: 2790600 CPU: 8097.88, 0.00292482/step Wall: 8097.88, 0.00292482/step, 1.79503 hours remaining, 206.152344 MB of memory in use. ENERGY: 2790600 792.8788 2094.9194 1976.1703 109.3581 -206053.0772 17594.2141 0.0000 0.0000 34088.1859 -149397.3506 297.7006 -183485.5366 -149296.8985 298.1313 -173.1010 -145.8975 557897.9572 3.2221 3.2174 PRESSURE: 2790800 -364.608 94.819 61.7403 94.8206 -278.525 -54.7653 61.7384 -54.7666 -101.493 GPRESSURE: 2790800 -341.702 47.5231 61.2757 191.265 -242.459 -102.815 16.1751 -151.594 -59.248 PRESSAVG: 2790800 -29.5021 6.10354 -1.05716 6.10351 -12.528 -4.44665 -1.05722 -4.44665 58.9042 GPRESSAVG: 2790800 -28.8382 7.72227 -2.04698 6.78068 -11.1375 -7.9757 -1.05832 -2.33682 58.058 TIMING: 2790800 CPU: 8098.46, 0.00290347/step Wall: 8098.46, 0.00290347/step, 1.78176 hours remaining, 206.152344 MB of memory in use. ENERGY: 2790800 741.7734 2117.5659 1964.4037 120.3809 -206022.2771 17409.9743 0.0000 0.0000 34275.9148 -149392.2642 299.3401 -183668.1789 -149295.1539 298.6685 -248.2087 -214.4696 559088.7336 5.6247 6.0275 PRESSURE: 2791000 67.121 23.2981 115.815 23.2976 -137.831 138.628 115.815 138.63 -269.036 GPRESSURE: 2791000 81.1251 31.6369 75.1673 31.5584 -132.863 150.906 144.923 189.937 -190.319 PRESSAVG: 2791000 -74.7989 54.8059 19.613 54.8059 4.64936 4.67928 19.6129 4.6793 29.823 GPRESSAVG: 2791000 -74.2517 55.6463 20.8113 53.9939 2.97805 6.68542 18.1063 2.48505 31.6522 TIMING: 2791000 CPU: 8099.04, 0.00292678/step Wall: 8099.04, 0.00292678/step, 1.79591 hours remaining, 206.152344 MB of memory in use. ENERGY: 2791000 774.4519 2095.8520 1984.4195 107.5162 -206394.5625 17797.1546 0.0000 0.0000 34140.0735 -149495.0947 298.1538 -183635.1683 -149396.7805 298.3825 -113.2487 -80.6854 557606.1662 -13.4422 -13.2071 PRESSURE: 2791200 41.8643 92.5878 6.88649 92.5879 205.254 44.2897 6.88621 44.2906 5.85795 GPRESSURE: 2791200 75.4913 121.624 -39.3617 87.7357 251.99 1.58438 43.6562 116.938 21.1512 PRESSAVG: 2791200 -13.3289 74.4725 6.1225 74.4726 80.5464 -12.38 6.12251 -12.38 -22.3082 GPRESSAVG: 2791200 -14.2305 75.1242 6.13817 73.8541 81.6455 -12.8941 8.24078 -11.7871 -22.9948 TIMING: 2791200 CPU: 8099.62, 0.00289553/step Wall: 8099.62, 0.00289553/step, 1.77657 hours remaining, 206.152344 MB of memory in use. ENERGY: 2791200 740.6962 2041.7707 1968.7014 121.1980 -206559.5114 18080.4960 0.0000 0.0000 34245.5871 -149361.0620 299.0752 -183606.6491 -149268.7599 299.3629 84.3255 116.2109 557728.0926 14.9698 14.8067 PRESSURE: 2791400 -25.1097 29.1199 -7.39776 29.1202 -64.4168 -47.5904 -7.39769 -47.5913 -201.216 GPRESSURE: 2791400 23.5722 -40.1641 -65.0949 52.5629 -49.862 -41.1383 25.9959 -85.1022 -155.574 PRESSAVG: 2791400 -34.1282 -11.5233 -34.1149 -11.5233 -26.103 -5.24845 -34.1148 -5.24849 68.3305 GPRESSAVG: 2791400 -33.3761 -11.9781 -32.6675 -11.3332 -27.4393 -3.79243 -35.409 -7.44761 68.412 TIMING: 2791400 CPU: 8100.2, 0.00289715/step Wall: 8100.2, 0.00289715/step, 1.7774 hours remaining, 206.152344 MB of memory in use. ENERGY: 2791400 727.9855 2064.9951 1963.4156 111.1845 -206459.9871 17771.6060 0.0000 0.0000 34144.2809 -149676.5196 298.1905 -183820.8005 -149577.0939 299.2557 -96.9142 -60.6213 556226.7904 2.6998 2.5322 PRESSURE: 2791600 -480.891 -44.6592 -122.516 -44.6587 -94.6913 66.0237 -122.516 66.0237 -6.90483 GPRESSURE: 2791600 -473.681 12.9787 -211.632 -58.5535 -55.7565 91.9652 -91.4191 78.4952 20.0205 PRESSAVG: 2791600 -68.9706 9.80626 -26.7682 9.80629 7.88631 9.283 -26.7681 9.28305 81.9444 GPRESSAVG: 2791600 -67.1409 9.81397 -27.3815 11.7925 7.49234 7.6939 -26.5267 11.3297 81.0828 TIMING: 2791600 CPU: 8100.78, 0.0029144/step Wall: 8100.78, 0.0029144/step, 1.78782 hours remaining, 206.152344 MB of memory in use. ENERGY: 2791600 741.2068 2057.7517 1962.7352 124.7503 -206233.2408 17587.7418 0.0000 0.0000 34295.4348 -149463.6202 299.5106 -183759.0550 -149369.5151 298.6955 -194.1622 -169.8055 558340.6037 6.9534 7.1447 PRESSURE: 2791800 1.13461 153.942 157.385 153.941 -82.4156 167.574 157.384 167.572 190.366 GPRESSURE: 2791800 -11.1687 161.378 225.83 131.936 0.485435 117.834 190.886 223.648 198.281 PRESSAVG: 2791800 -53.3325 4.94336 88.3943 4.94333 -71.316 -1.63053 88.3943 -1.63055 124.062 GPRESSAVG: 2791800 -54.4951 5.09721 86.9729 3.71776 -71.2328 0.102674 90.3857 -1.6315 125.094 TIMING: 2791800 CPU: 8101.37, 0.00291499/step Wall: 8101.37, 0.00291499/step, 1.78802 hours remaining, 206.152344 MB of memory in use. ENERGY: 2791800 720.3720 2105.5179 1951.2310 111.1037 -206239.1798 17769.8132 0.0000 0.0000 34071.6551 -149509.4869 297.5562 -183581.1420 -149418.6836 298.3980 36.3615 62.5327 557501.9478 -0.1955 -0.2114 PRESSURE: 2792000 -190.701 28.285 -13.835 28.285 -17.8881 12.1909 -13.835 12.1911 -57.9349 GPRESSURE: 2792000 -166.474 9.98346 -2.09273 -16.9831 8.63952 131.472 -71.7682 -19.7172 -3.35125 PRESSAVG: 2792000 -20.6591 12.8697 26.1774 12.8697 -5.02028 -33.1634 26.1775 -33.1634 47.0894 GPRESSAVG: 2792000 -21.5249 12.4325 28.0823 12.1947 -4.07995 -33.0725 23.6533 -33.2306 47.7671 TIMING: 2792000 CPU: 8101.95, 0.00290535/step Wall: 8101.95, 0.00290535/step, 1.78195 hours remaining, 206.152344 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: 2792000 734.9122 2125.4008 1983.1204 123.2347 -206304.4038 17787.9485 0.0000 0.0000 34345.1019 -149204.6855 299.9443 -183549.7874 -149112.6127 299.3930 -88.8414 -53.7286 556246.3236 7.1367 7.3874 PRESSURE: 2792200 -79.8265 67.1164 106.922 67.1158 336.326 70.0396 106.923 70.0382 310.569 GPRESSURE: 2792200 -40.8319 106.453 91.7117 97.101 375.09 -10.7017 123.217 107.45 344.848 PRESSAVG: 2792200 -26.5616 -18.0629 -9.6366 -18.0629 -42.3697 56.548 -9.63655 56.5481 68.6075 GPRESSAVG: 2792200 -24.764 -18.4385 -9.03655 -17.234 -42.6265 54.9748 -9.48774 55.8872 67.293 TIMING: 2792200 CPU: 8102.53, 0.00290982/step Wall: 8102.53, 0.00290982/step, 1.78453 hours remaining, 206.152344 MB of memory in use. ENERGY: 2792200 741.6382 2089.6369 1986.9749 113.6679 -206113.8542 17855.0580 0.0000 0.0000 34142.2789 -149184.5995 298.1730 -183326.8783 -149082.5693 299.7698 189.0228 226.3688 555620.8130 -0.1079 -0.0325 LDB: ============= START OF LOAD BALANCING ============== 8106 LDB: ============== END OF LOAD BALANCING =============== 8106 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8106 LDB: ============= START OF LOAD BALANCING ============== 8106.29 LDB: Largest compute 4821 load 0.031699 is 26.9% of average load 0.117773 LDB: Average compute 0.001732 is 1.5% of average load 0.117773 LDB: TIME 8106.29 LOAD: AVG 0.117773 MAX 0.179211 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.977 MB LDB: TIME 8106.29 LOAD: AVG 0.117773 MAX 0.179211 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: TIME 8106.29 LOAD: AVG 0.117773 MAX 0.179211 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.18 MB LDB: ============== END OF LOAD BALANCING =============== 8106.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8106.3 PRESSURE: 2792400 12.1433 -6.27382 164.482 -6.27473 -214.301 92.9911 164.481 92.9919 -30.6494 GPRESSURE: 2792400 12.8277 36.802 145.249 -10.5792 -137.989 91.9914 176.903 162.448 -6.54922 PRESSAVG: 2792400 -26.7527 -10.8357 46.3393 -10.8357 -1.96193 45.1866 46.3394 45.1867 15.4573 GPRESSAVG: 2792400 -28.2817 -10.9249 44.3097 -10.8115 -1.32399 46.3671 48.3347 44.5775 15.9433 TIMING: 2792400 CPU: 8103.12, 0.00295448/step Wall: 8103.12, 0.00295448/step, 1.81175 hours remaining, 206.390625 MB of memory in use. ENERGY: 2792400 741.8178 2114.0688 1968.8524 103.1756 -205838.8951 17631.4855 0.0000 0.0000 34252.1160 -149027.3789 299.1322 -183279.4949 -148935.4239 299.4722 -77.6023 -43.9036 557312.7369 -4.4191 -4.5541 PRESSURE: 2792600 -237.342 -100.679 152.472 -100.678 -64.8734 231.324 152.472 231.324 -176.986 GPRESSURE: 2792600 -137.764 -94.8231 86.524 -33.8364 -63.1749 203.835 144.176 208.215 -179.807 PRESSAVG: 2792600 -58.9303 12.9525 5.30486 12.9525 67.337 23.1857 5.30484 23.1856 37.7222 GPRESSAVG: 2792600 -58.8454 11.583 6.8912 13.7111 66.9747 21.1162 5.21759 24.7 37.7969 TIMING: 2792600 CPU: 8103.7, 0.00289444/step Wall: 8103.7, 0.00289444/step, 1.77478 hours remaining, 206.949219 MB of memory in use. ENERGY: 2792600 737.0540 2085.0883 1968.8019 123.5194 -205865.1172 17501.5753 0.0000 0.0000 34301.6853 -149147.3931 299.5651 -183449.0784 -149048.4580 299.5574 -159.7339 -126.9152 557265.8699 15.3763 15.3087 PRESSURE: 2792800 104.58 45.5845 -18.9095 45.5842 -113.45 16.1706 -18.9094 16.1706 62.0364 GPRESSURE: 2792800 87.3671 -1.33055 -41.8963 56.5809 -9.4049 9.23815 -87.8793 3.3047 67.2919 PRESSAVG: 2792800 -10.5296 3.65802 8.37355 3.65791 32.0079 -19.3136 8.37354 -19.3136 -41.8125 GPRESSAVG: 2792800 -10.8528 5.31123 6.95073 2.04829 32.3214 -17.516 7.9009 -21.5202 -42.3412 TIMING: 2792800 CPU: 8104.28, 0.00287766/step Wall: 8104.28, 0.00287766/step, 1.76433 hours remaining, 206.949219 MB of memory in use. ENERGY: 2792800 728.3934 2085.1456 1965.3398 129.1114 -206197.2011 17707.8662 0.0000 0.0000 34308.2511 -149273.0935 299.6225 -183581.3446 -149175.7649 299.4645 17.7221 48.4181 556813.2572 -6.7781 -6.9575 PRESSURE: 2793000 100.69 -12.6103 -142.18 -12.6094 472.178 -10.11 -142.182 -10.1112 284.64 GPRESSURE: 2793000 112.432 -30.9477 -168.488 -5.41283 476.758 15.278 -126.655 -92.789 360.377 PRESSAVG: 2793000 25.8651 -13.9535 16.1653 -13.9535 -8.05563 20.5713 16.1652 20.5713 -21.5006 GPRESSAVG: 2793000 26.5318 -15.1527 17.0028 -13.1896 -8.58696 19.1386 15.8639 22.6813 -21.7704 TIMING: 2793000 CPU: 8104.85, 0.00286783/step Wall: 8104.85, 0.00286783/step, 1.75814 hours remaining, 207.015625 MB of memory in use. ENERGY: 2793000 721.7078 1998.4946 1991.3384 121.2748 -206456.9048 18177.6853 0.0000 0.0000 34094.0498 -149352.3540 297.7518 -183446.4038 -149249.6612 298.7614 285.8357 316.5226 556507.5728 -1.2304 -1.2752 PRESSURE: 2793200 179.29 -2.7143 95.2404 -2.71494 -214.048 -193.493 95.2399 -193.493 -207.48 GPRESSURE: 2793200 190.694 28.4394 95.5388 0.39832 -170.449 -232.648 49.6935 -178.697 -170.992 PRESSAVG: 2793200 -17.1542 -9.80955 22.4226 -9.80956 1.39422 -18.2849 22.4225 -18.2849 33.96 GPRESSAVG: 2793200 -17.3568 -9.94826 22.575 -9.70484 2.19913 -18.3187 21.5711 -18.5029 33.3643 TIMING: 2793200 CPU: 8105.42, 0.00287492/step Wall: 8105.42, 0.00287492/step, 1.76232 hours remaining, 207.015625 MB of memory in use. ENERGY: 2793200 770.1636 2043.1726 1993.8082 123.0219 -206103.0744 17712.2994 0.0000 0.0000 34265.0514 -149195.5573 299.2452 -183460.6087 -149100.0761 298.4391 -80.7458 -50.2493 557390.7595 6.0667 6.0689 PRESSURE: 2793400 274.244 -91.7973 -66.9069 -91.7976 406.411 46.0507 -66.9044 46.0492 223.418 GPRESSURE: 2793400 335.844 -62.1681 2.53692 -102.431 406.351 38.0968 -61.5309 30.9878 259.964 PRESSAVG: 2793400 5.47636 -35.1428 -41.545 -35.1428 -1.86816 -23.008 -41.5451 -23.008 33.9567 GPRESSAVG: 2793400 5.67796 -37.5404 -39.8582 -34.5325 -3.33672 -22.5348 -41.6446 -24.0862 35.0172 TIMING: 2793400 CPU: 8106, 0.00289557/step Wall: 8106, 0.00289557/step, 1.77483 hours remaining, 207.015625 MB of memory in use. ENERGY: 2793400 701.2349 2101.3443 1964.4426 119.5882 -206513.7660 18189.8093 0.0000 0.0000 34178.0592 -149259.2874 298.4855 -183437.3466 -149163.1896 298.6206 301.3576 334.0526 556937.4324 12.5216 12.4528 PRESSURE: 2793600 -106.378 69.5955 14.373 69.595 -179.117 -39.8827 14.373 -39.8828 50.6273 GPRESSURE: 2793600 -86.7072 14.4664 -70.0995 -13.6286 -104.958 2.76944 69.6995 -11.2999 49.1746 PRESSAVG: 2793600 -8.46075 -41.0307 -46.1282 -41.0308 -12.0585 23.9411 -46.1282 23.9412 46.638 GPRESSAVG: 2793600 -8.9266 -38.9174 -48.9495 -42.3293 -11.5128 23.8256 -47.5386 24.4206 46.5126 TIMING: 2793600 CPU: 8106.58, 0.00289283/step Wall: 8106.58, 0.00289283/step, 1.77298 hours remaining, 207.015625 MB of memory in use. ENERGY: 2793600 771.2061 2119.1645 1957.6837 107.3983 -206303.8333 17871.4636 0.0000 0.0000 34207.1666 -149269.7505 298.7397 -183476.9171 -149165.8971 299.6773 -78.2892 -47.4968 558195.3635 8.7063 8.6911 PRESSURE: 2793800 -127.058 -165.93 -157.413 -165.93 -108.4 -30.2876 -157.412 -30.2885 36.6434 GPRESSURE: 2793800 -82.825 -212.613 -167.387 -200.76 -73.3529 -51.9896 -143.737 10.8078 50.0501 PRESSAVG: 2793800 -31.2172 -25.5037 -52.421 -25.5037 10.0232 28.4648 -52.421 28.4648 33.3527 GPRESSAVG: 2793800 -30.5452 -24.9063 -52.0745 -27.1453 9.97736 27.4918 -48.928 28.8816 33.3172 TIMING: 2793800 CPU: 8107.16, 0.00288312/step Wall: 8107.16, 0.00288312/step, 1.76687 hours remaining, 207.015625 MB of memory in use. ENERGY: 2793800 770.4530 2072.3180 1971.4879 115.7877 -206540.3892 17959.8189 0.0000 0.0000 34416.3448 -149234.1788 300.5665 -183650.5236 -149136.7518 299.2769 -66.2715 -35.3760 558477.3064 4.0529 4.2498 PRESSURE: 2794000 183.398 -86.5362 3.19032 -86.5362 -197.749 -29.9725 3.18931 -29.9737 -237.827 GPRESSURE: 2794000 201.948 -116.13 53.4181 -70.486 -141.64 -29.5473 -63.8013 8.38319 -211.454 PRESSAVG: 2794000 -8.30514 -55.1758 -11.2065 -55.1757 -12.6876 -26.7999 -11.2065 -26.7999 7.00402 GPRESSAVG: 2794000 -9.76421 -55.0065 -10.1681 -53.896 -12.1299 -24.5616 -14.1894 -27.9903 8.07509 TIMING: 2794000 CPU: 8107.74, 0.00288208/step Wall: 8107.74, 0.00288208/step, 1.76607 hours remaining, 207.015625 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: 2794000 757.5629 2096.6613 1947.7107 116.9781 -206328.7067 17830.6666 0.0000 0.0000 34383.3229 -149195.8042 300.2781 -183579.1270 -149101.7121 300.0382 -84.0591 -50.3818 558313.4019 -4.6629 -4.6063 PRESSURE: 2794200 -3.16743 93.5505 -113.597 93.5501 127.658 -134.39 -113.595 -134.39 111.685 GPRESSURE: 2794200 32.6532 53.9484 -159.335 112.484 182.203 -21.3034 -78.5661 -153.096 115.736 PRESSAVG: 2794200 0.299207 -4.03044 2.98865 -4.03039 23.9144 -7.6647 2.98866 -7.6647 7.34408 GPRESSAVG: 2794200 1.7248 -5.39835 2.45408 -5.02541 23.7054 -5.41292 4.15389 -7.49053 6.08922 TIMING: 2794200 CPU: 8108.32, 0.00290633/step Wall: 8108.32, 0.00290633/step, 1.78078 hours remaining, 207.015625 MB of memory in use. ENERGY: 2794200 750.4427 2052.9782 1915.2567 117.4033 -206230.2346 17720.8487 0.0000 0.0000 34336.0382 -149337.2668 299.8652 -183673.3050 -149242.2553 298.9457 78.7250 110.1975 557058.8750 10.5192 10.5065 PRESSURE: 2794400 -66.6454 34.1845 50.1081 34.1847 37.2957 -13.3755 50.1069 -13.3751 -81.8724 GPRESSURE: 2794400 -20.5211 -37.2229 100.529 69.6549 91.8064 -53.3849 -22.6869 48.9187 -76.8005 PRESSAVG: 2794400 -18.3034 3.11808 -6.58427 3.11803 51.107 -26.2275 -6.58432 -26.2277 -8.89414 GPRESSAVG: 2794400 -19.3035 2.54149 -4.79038 3.50577 51.4098 -29.291 -8.37646 -26.1788 -8.46229 TIMING: 2794400 CPU: 8108.9, 0.00290965/step Wall: 8108.9, 0.00290965/step, 1.78265 hours remaining, 207.015625 MB of memory in use. ENERGY: 2794400 738.9444 2031.2870 1960.7217 115.2565 -206238.0785 17770.7752 0.0000 0.0000 34170.9994 -149450.0942 298.4238 -183621.0936 -149356.8663 298.3472 -37.0741 -1.8384 556567.7946 7.9698 7.8814 PRESSURE: 2794600 -123.281 20.9322 -104.589 20.9324 -306.936 69.6518 -104.588 69.6539 -146.828 GPRESSURE: 2794600 -34.81 -50.2887 -88.7885 71.7574 -227.018 135.742 -105.052 97.2351 -207.602 PRESSAVG: 2794600 -30.4264 29.8299 -9.62588 29.8298 19.8851 -5.39741 -9.62588 -5.39735 13.9285 GPRESSAVG: 2794600 -29.1879 32.3011 -11.8994 31.6934 20.3371 -4.48147 -6.80324 -5.63692 12.7817 TIMING: 2794600 CPU: 8109.48, 0.00291726/step Wall: 8109.48, 0.00291726/step, 1.78714 hours remaining, 207.015625 MB of memory in use. ENERGY: 2794600 772.3463 2107.0986 1967.6418 106.1295 -206334.1633 17623.8476 0.0000 0.0000 34289.7040 -149467.3954 299.4605 -183757.0994 -149376.4443 298.2333 -192.3482 -156.4766 556867.9528 1.1291 1.3103 PRESSURE: 2794800 229.654 -84.1419 21.6359 -84.1408 -187.335 -77.5824 21.6353 -77.5821 177.468 GPRESSURE: 2794800 281.502 -113.181 -32.9605 -84.6742 -176.326 -50.3642 -41.9718 -172.722 207.897 PRESSAVG: 2794800 26.9798 49.5952 -0.0661524 49.5953 -26.4912 -19.2622 -0.0662049 -19.2622 -46.1274 GPRESSAVG: 2794800 25.5785 47.2144 2.95527 48.956 -27.0167 -18.5155 -2.99028 -17.4466 -44.5381 TIMING: 2794800 CPU: 8110.06, 0.00289749/step Wall: 8110.06, 0.00289749/step, 1.77487 hours remaining, 207.015625 MB of memory in use. ENERGY: 2794800 730.4603 2100.4364 1944.0204 118.5245 -206603.1859 17939.4443 0.0000 0.0000 34303.2098 -149467.0901 299.5785 -183770.2999 -149364.3568 298.3797 73.2622 104.3576 555464.7739 -15.2129 -15.3254 PRESSURE: 2795000 187.391 -257.188 137.012 -257.189 80.2031 -107.45 137.011 -107.449 199.107 GPRESSURE: 2795000 203.395 -294.385 71.1038 -208.013 108.877 -144.048 200.957 -106.23 257.431 PRESSAVG: 2795000 -16.3896 7.77448 -21.3285 7.77439 -15.7734 -36.2597 -21.3285 -36.2596 47.0455 GPRESSAVG: 2795000 -15.1606 9.60805 -22.5853 5.7274 -16.6364 -36.8245 -20.6798 -36.4075 47.1331 TIMING: 2795000 CPU: 8110.64, 0.00288207/step Wall: 8110.64, 0.00288207/step, 1.76527 hours remaining, 207.015625 MB of memory in use. ENERGY: 2795000 744.1634 2042.4024 1948.2176 109.3720 -206734.4675 18161.3860 0.0000 0.0000 34222.6423 -149506.2838 298.8748 -183728.9261 -149413.9231 298.8645 155.5672 189.9009 556619.2776 4.9608 5.1120 PRESSURE: 2795200 61.693 -51.9971 47.1981 -51.9985 -56.9816 41.6865 47.1962 41.6855 213.239 GPRESSURE: 2795200 84.0309 -59.076 34.8427 -143.907 24.7626 1.42102 65.0733 61.6736 208.008 PRESSAVG: 2795200 34.6709 -26.4374 -62.3084 -26.4373 22.6173 -49.0827 -62.3084 -49.0827 -32.0103 GPRESSAVG: 2795200 34.4546 -26.8029 -62.9408 -26.3661 23.0452 -48.2294 -60.2767 -48.2971 -33.0229 TIMING: 2795200 CPU: 8111.22, 0.0028895/step Wall: 8111.22, 0.0028895/step, 1.76966 hours remaining, 207.015625 MB of memory in use. ENERGY: 2795200 731.8256 2077.9282 1961.2559 107.2182 -206542.2180 17985.1654 0.0000 0.0000 34153.1475 -149525.6770 298.2679 -183678.8246 -149432.1858 298.3973 72.6500 105.6006 556172.3800 8.4260 8.1590 PRESSURE: 2795400 186.187 69.2686 -22.335 69.2696 -31.57 30.2311 -22.3356 30.2295 21.8556 GPRESSURE: 2795400 246.907 41.5343 -42.2672 71.4058 -2.9917 86.0802 1.0319 27.3754 39.3793 PRESSAVG: 2795400 -32.0835 32.0827 -6.41515 32.0826 15.9901 -21.6586 -6.41514 -21.6586 2.5535 GPRESSAVG: 2795400 -31.8417 32.7153 -6.05486 34.4981 16.5188 -20.8583 -9.21676 -23.4624 1.53905 TIMING: 2795400 CPU: 8111.79, 0.00288012/step Wall: 8111.79, 0.00288012/step, 1.76375 hours remaining, 207.015625 MB of memory in use. ENERGY: 2795400 722.8127 2057.1432 1976.0439 114.1702 -206462.1195 17939.1185 0.0000 0.0000 34064.9437 -149587.8873 297.4976 -183652.8310 -149491.0623 297.9905 58.8241 94.4314 555759.4744 -4.5133 -4.5946 PRESSURE: 2795600 251.294 81.0737 48.4357 81.0736 383.289 -74.4374 48.4341 -74.4379 100.198 GPRESSURE: 2795600 308.762 31.3227 22.689 56.7706 379.619 -38.235 59.0804 -40.4583 139.862 PRESSAVG: 2795600 -24.9363 -7.06971 -5.65789 -7.06978 85.1828 40.8087 -5.658 40.8088 -58.7331 GPRESSAVG: 2795600 -26.5931 -6.43406 -7.46593 -9.03451 84.7076 38.8329 -2.17914 43.1643 -57.0016 TIMING: 2795600 CPU: 8112.37, 0.00289192/step Wall: 8112.37, 0.00289192/step, 1.77082 hours remaining, 207.015625 MB of memory in use. ENERGY: 2795600 718.9279 2088.2056 1972.8651 119.8353 -206774.7930 18058.5312 0.0000 0.0000 34266.7613 -149549.6666 299.2601 -183816.4279 -149454.4516 298.5935 244.9266 276.0814 554982.5171 0.5045 0.3710 PRESSURE: 2795800 -19.3622 39.0889 -38.0476 39.0889 104.636 -154.638 -38.0478 -154.638 0.545372 GPRESSURE: 2795800 73.9806 51.6911 -45.6692 79.2429 99.4866 -134.327 -119.762 -130.144 7.46182 PRESSAVG: 2795800 68.2018 8.31659 16.9213 8.3165 -33.2423 -27.7638 16.9214 -27.7638 -41.0619 GPRESSAVG: 2795800 69.766 10.0978 16.8251 7.68595 -34.0063 -26.5039 15.1842 -29.9426 -41.9121 TIMING: 2795800 CPU: 8112.95, 0.00289662/step Wall: 8112.95, 0.00289662/step, 1.77354 hours remaining, 207.015625 MB of memory in use. ENERGY: 2795800 706.1986 2104.8097 1957.8445 107.3186 -206791.0432 17954.4488 0.0000 0.0000 34216.1811 -149744.2419 298.8184 -183960.4230 -149648.2942 297.2344 28.6063 60.3097 555478.6874 -2.0341 -2.0508 PRESSURE: 2796000 178.819 -109.983 47.2531 -109.983 -61.8774 -6.62105 47.2538 -6.62098 143.097 GPRESSURE: 2796000 221.337 -179.006 -22.8872 -103.02 -79.705 -14.2858 26.28 13.0102 226.411 PRESSAVG: 2796000 52.1371 19.4553 27.9375 19.4552 -71.3169 18.1349 27.9375 18.1349 16.4817 GPRESSAVG: 2796000 52.5075 18.3548 29.0615 19.9481 -71.68 18.0268 28.452 16.9904 16.4263 TIMING: 2796000 CPU: 8113.53, 0.00288134/step Wall: 8113.53, 0.00288134/step, 1.76402 hours remaining, 207.015625 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: 2796000 741.8472 2023.0714 1955.2055 110.3912 -206936.4987 18061.3318 0.0000 0.0000 34393.1652 -149651.4864 300.3641 -184044.6516 -149560.1211 298.0836 86.6794 122.6807 555903.1610 -0.8994 -0.9154 PRESSURE: 2796200 -2.8032 45.2043 47.6356 45.2038 -109.809 34.4275 47.6361 34.4282 60.571 GPRESSURE: 2796200 15.3718 134.292 33.4566 10.0125 -69.8777 50.4778 -6.27337 -99.9638 107.028 PRESSAVG: 2796200 43.2787 -46.521 38.6618 -46.521 -5.36491 4.20627 38.6617 4.20624 -15.9613 GPRESSAVG: 2796200 43.0326 -46.7631 36.5201 -44.615 -4.02972 4.39402 38.3461 5.36251 -17.094 TIMING: 2796200 CPU: 8114.1, 0.0028925/step Wall: 8114.1, 0.0028925/step, 1.77069 hours remaining, 207.015625 MB of memory in use. ENERGY: 2796200 723.8071 2100.7293 1976.2117 103.0790 -206434.4439 17772.6607 0.0000 0.0000 34137.3724 -149620.5837 298.1302 -183757.9561 -149525.0312 297.7923 -17.3470 17.5073 556946.6390 7.3175 7.3029 LDB: ============= START OF LOAD BALANCING ============== 8117.57 LDB: ============== END OF LOAD BALANCING =============== 8117.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8117.57 LDB: ============= START OF LOAD BALANCING ============== 8117.86 LDB: Largest compute 4821 load 0.030476 is 25.9% of average load 0.117676 LDB: Average compute 0.001730 is 1.5% of average load 0.117676 LDB: TIME 8117.86 LOAD: AVG 0.117676 MAX 0.179734 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.559 MB LDB: TIME 8117.86 LOAD: AVG 0.117676 MAX 0.179734 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 8117.86 LOAD: AVG 0.117676 MAX 0.179734 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: ============== END OF LOAD BALANCING =============== 8117.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8117.87 PRESSURE: 2796400 -109.166 -18.0444 99.3828 -18.0457 -210.242 -76.933 99.3828 -76.9324 -166.626 GPRESSURE: 2796400 -103.691 -29.039 63.4521 -107.906 -211.79 -88.4269 146.059 -45.2955 -68.6933 PRESSAVG: 2796400 -62.7529 59.1765 84.9795 59.1766 -7.50083 9.16719 84.9795 9.16725 47.02 GPRESSAVG: 2796400 -62.9317 58.4798 85.3699 57.4372 -7.84309 6.63124 87.103 11.3227 47.4191 TIMING: 2796400 CPU: 8114.69, 0.00293314/step Wall: 8114.69, 0.00293314/step, 1.79541 hours remaining, 207.222656 MB of memory in use. ENERGY: 2796400 739.0116 2089.5164 1966.7469 116.9870 -206215.8115 17654.9095 0.0000 0.0000 34123.5583 -149525.0818 298.0095 -183648.6402 -149431.1777 297.9137 -162.0111 -128.0582 558209.8660 -7.7446 -7.7852 PRESSURE: 2796600 168.506 -174.118 -196.68 -174.119 -106.579 -110.647 -196.68 -110.648 -184.185 GPRESSURE: 2796600 182.045 -171.641 -195.55 -182.52 -47.8344 -70.7748 -226.788 -97.5499 -150.21 PRESSAVG: 2796600 63.4658 5.61012 10.2017 5.61019 -33.6192 24.9692 10.2016 24.9692 -15.3195 GPRESSAVG: 2796600 62.9402 4.26327 12.2453 7.95497 -34.2974 27.4081 8.36533 23.8981 -14.3816 TIMING: 2796600 CPU: 8115.27, 0.0028887/step Wall: 8115.27, 0.0028887/step, 1.76804 hours remaining, 207.558594 MB of memory in use. ENERGY: 2796600 749.0718 2067.4050 1952.9737 114.3941 -206316.9715 17872.4570 0.0000 0.0000 34147.2125 -149413.4574 298.2161 -183560.6699 -149323.0368 298.7302 -40.7526 -5.3334 556632.9253 4.8424 4.7537 PRESSURE: 2796800 -120.71 142.146 94.7037 142.147 9.54492 -4.3733 94.7034 -4.37275 -83.75 GPRESSURE: 2796800 -73.2038 181.161 34.9458 76.636 33.6876 5.1263 119.46 -34.7633 -68.4897 PRESSAVG: 2796800 14.772 24.8584 9.89552 24.8583 -39.6761 50.2563 9.89557 50.2563 41.1678 GPRESSAVG: 2796800 15.2015 26.2128 9.05317 23.3756 -40.112 49.4482 10.9835 49.067 41.246 TIMING: 2796800 CPU: 8115.85, 0.00289388/step Wall: 8115.85, 0.00289388/step, 1.77105 hours remaining, 207.558594 MB of memory in use. ENERGY: 2796800 759.1734 2123.6090 1973.1362 124.7589 -206149.7178 17671.3226 0.0000 0.0000 34114.8981 -149382.8197 297.9339 -183497.7177 -149289.1921 298.5083 -64.9716 -36.0020 556735.3585 5.4212 5.4452 PRESSURE: 2797000 -7.75226 -31.4202 -27.504 -31.4189 -197.58 -50.8987 -27.5024 -50.8997 111.874 GPRESSURE: 2797000 44.5968 -52.4565 24.1091 -78.853 -180.17 -53.7933 68.4129 -106.501 134.541 PRESSAVG: 2797000 -3.21592 29.1909 -2.21428 29.1909 -50.6775 15.8072 -2.21437 15.8072 45.3988 GPRESSAVG: 2797000 -3.41969 29.1088 -1.74484 28.4838 -49.5988 16.691 -4.57826 18.254 44.9587 TIMING: 2797000 CPU: 8116.42, 0.00287864/step Wall: 8116.42, 0.00287864/step, 1.76157 hours remaining, 207.558594 MB of memory in use. ENERGY: 2797000 711.3245 2102.1997 1964.7702 112.0626 -206339.3406 17737.3148 0.0000 0.0000 34220.4662 -149491.2025 298.8558 -183711.6688 -149400.3268 298.6789 -31.1529 -0.3439 557579.7092 -2.8315 -2.6866 PRESSURE: 2797200 212.443 143.708 -157.505 143.709 62.266 -71.9774 -157.506 -71.9785 40.2417 GPRESSURE: 2797200 220.917 84.0639 -209.525 237.686 70.4915 -21.2316 -79.9887 -146.263 114.102 PRESSAVG: 2797200 -18.8459 40.5618 7.77572 40.5618 -16.0123 -0.190549 7.77574 -0.190521 -26.0726 GPRESSAVG: 2797200 -19.9864 37.4619 7.006 41.3836 -15.3012 -0.520157 9.69229 -3.07322 -25.7291 TIMING: 2797200 CPU: 8117, 0.0028874/step Wall: 8117, 0.0028874/step, 1.76677 hours remaining, 207.558594 MB of memory in use. ENERGY: 2797200 771.6404 2039.6872 1972.1691 102.6394 -207083.5086 18312.8842 0.0000 0.0000 34122.2984 -149762.1898 297.9985 -183884.4883 -149665.9152 297.7646 104.9836 135.1702 557808.3063 -20.3103 -20.3389 PRESSURE: 2797400 -90.4879 -118.422 85.5733 -118.422 164.014 44.0807 85.5731 44.0808 198.922 GPRESSURE: 2797400 -48.0608 -119.538 197.297 -171.906 201.541 44.1155 -7.64755 49.7726 204.173 PRESSAVG: 2797400 17.4714 6.42056 -37.9678 6.42062 -19.2156 -13.6692 -37.9678 -13.6693 30.6437 GPRESSAVG: 2797400 17.7099 8.44645 -37.6041 4.84079 -19.7207 -13.6361 -40.7203 -12.2559 30.3271 TIMING: 2797400 CPU: 8117.58, 0.00288274/step Wall: 8117.58, 0.00288274/step, 1.76376 hours remaining, 207.558594 MB of memory in use. ENERGY: 2797400 728.5899 2071.9161 1956.1015 104.2095 -206878.7049 18072.8606 0.0000 0.0000 34057.9242 -149887.1031 297.4363 -183945.0273 -149791.5130 298.1436 90.8163 119.2178 557352.3594 9.6332 9.4388 PRESSURE: 2797600 80.5808 10.039 64.2958 10.0386 73.3814 81.2648 64.2955 81.264 -66.0274 GPRESSURE: 2797600 27.4862 -41.7952 37.21 10.3667 127.186 61.6055 39.1409 140.324 24.3348 PRESSAVG: 2797600 26.2663 -39.5317 1.38067 -39.5316 -52.748 -28.9063 1.38063 -28.9062 4.38173 GPRESSAVG: 2797600 26.7928 -38.329 1.42601 -38.0598 -52.8553 -29.3823 2.83475 -30.0025 3.76323 TIMING: 2797600 CPU: 8118.16, 0.00289765/step Wall: 8118.16, 0.00289765/step, 1.77272 hours remaining, 207.558594 MB of memory in use. ENERGY: 2797600 743.2742 2048.9741 1960.7731 115.3377 -206869.2070 18070.5688 0.0000 0.0000 34105.3192 -149824.9600 297.8502 -183930.2792 -149722.3048 297.4508 29.3116 59.6690 557566.3455 -7.3667 -7.4331 PRESSURE: 2797800 -4.04898 -0.251789 -87.0481 -0.25191 151.907 6.2075 -87.0485 6.20867 165.446 GPRESSURE: 2797800 -17.1724 -51.3164 -17.8054 30.8184 219.163 -49.6207 -102.276 101.343 219.734 PRESSAVG: 2797800 -38.0275 8.59774 -63.6439 8.59774 -45.0923 -34.909 -63.6439 -34.909 30.9653 GPRESSAVG: 2797800 -38.3827 7.00067 -63.6562 10.0271 -45.9826 -37.4182 -63.8081 -31.436 32.357 TIMING: 2797800 CPU: 8118.74, 0.00289525/step Wall: 8118.74, 0.00289525/step, 1.77109 hours remaining, 207.558594 MB of memory in use. ENERGY: 2797800 725.3560 2133.9980 1958.6613 106.1055 -207036.7861 18229.3363 0.0000 0.0000 33958.9452 -149924.3839 296.5719 -183883.3291 -149827.5410 298.1548 104.4345 140.5751 555483.8332 -17.3848 -17.3361 PRESSURE: 2798000 -143.05 94.1282 83.9868 94.1284 -165.18 166.093 83.9865 166.093 -118.834 GPRESSURE: 2798000 -93.1496 99.4853 58.2878 143.534 -126.462 121.52 -2.70018 141.344 -112.809 PRESSAVG: 2798000 -17.3438 42.7171 -25.2242 42.7171 -48.657 8.29544 -25.2242 8.29535 68.176 GPRESSAVG: 2798000 -17.4821 43.9407 -25.0844 41.3393 -48.88 11.7745 -24.9851 6.17036 68.2274 TIMING: 2798000 CPU: 8119.31, 0.00287076/step Wall: 8119.31, 0.00287076/step, 1.75595 hours remaining, 207.761719 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: 2798000 768.8622 2045.3775 1949.0551 117.4344 -206562.3514 17693.3007 0.0000 0.0000 34170.3549 -149817.9667 298.4182 -183988.3216 -149720.5661 297.5050 -142.3550 -110.8067 557144.5163 0.7251 0.6218 PRESSURE: 2798200 -2.64221 -179.83 -154.509 -179.83 -7.97504 48.9915 -154.509 48.9918 43.327 GPRESSURE: 2798200 23.1336 -268.455 -197.311 -152.153 36.0502 105.494 -197.995 104.046 79.6797 PRESSAVG: 2798200 42.4381 40.5747 10.6523 40.5747 -15.5994 -12.3733 10.6522 -12.3733 19.2781 GPRESSAVG: 2798200 42.8106 40.6319 10.8207 41.0347 -15.9164 -13.193 11.726 -12.1153 19.0826 TIMING: 2798200 CPU: 8119.89, 0.00288331/step Wall: 8119.89, 0.00288331/step, 1.76347 hours remaining, 207.761719 MB of memory in use. ENERGY: 2798200 730.8722 2113.3828 1945.6292 115.7389 -207014.2408 18240.6767 0.0000 0.0000 34160.7499 -149707.1911 298.3343 -183867.9410 -149618.0216 297.9165 10.9033 46.2878 558645.8155 15.3722 15.3256 PRESSURE: 2798400 -165.824 -41.9274 52.1498 -41.9287 -185.82 -1.3554 52.1501 -1.3543 -158.717 GPRESSURE: 2798400 -94.9161 -46.6446 79.2569 -116.647 -161.446 -16.7184 15.3786 -21.8559 -169.103 PRESSAVG: 2798400 66.3089 3.6449 13.323 3.64477 -28.737 -8.55665 13.3231 -8.55672 -32.5093 GPRESSAVG: 2798400 66.1777 4.4044 13.4242 2.74357 -27.6109 -7.9694 14.5869 -9.6276 -33.3197 TIMING: 2798400 CPU: 8120.46, 0.00288226/step Wall: 8120.46, 0.00288226/step, 1.76266 hours remaining, 207.761719 MB of memory in use. ENERGY: 2798400 718.5771 2093.3439 1951.9708 119.8239 -206205.5677 17511.5814 0.0000 0.0000 34183.6102 -149626.6604 298.5340 -183810.2706 -149528.9956 298.1824 -170.1203 -141.8217 559012.8135 1.6875 1.7490 PRESSURE: 2798600 207.63 -106.405 3.05442 -106.405 -305.817 -102.191 3.05423 -102.191 -117.891 GPRESSURE: 2798600 208.054 -82.5222 80.6504 -157.235 -275.593 -58.4699 22.3208 -149.669 -36.8892 PRESSAVG: 2798600 59.4292 -0.139132 39.122 -0.139119 -84.8644 11.9002 39.1219 11.9002 -13.312 GPRESSAVG: 2798600 59.9823 -1.75195 38.5066 0.239196 -85.4448 11.7607 37.2737 12.9201 -13.0751 TIMING: 2798600 CPU: 8121.04, 0.00288473/step Wall: 8121.04, 0.00288473/step, 1.76401 hours remaining, 207.761719 MB of memory in use. ENERGY: 2798600 725.6795 2045.7432 1979.2438 131.5011 -206319.8699 17741.0666 0.0000 0.0000 34277.4668 -149419.1688 299.3536 -183696.6356 -149321.8185 298.4091 -72.0257 -34.8093 558309.5566 -12.9157 -12.8459 PRESSURE: 2798800 11.4667 -226.135 99.9005 -226.134 118.865 -67.2949 99.9007 -67.295 -24.3482 GPRESSURE: 2798800 -12.8233 -254.14 53.7636 -195.567 153.508 -191.66 154.042 -73.2646 57.6206 PRESSAVG: 2798800 42.3298 -47.7217 41.7165 -47.7216 -7.06403 -11.2152 41.7165 -11.215 -22.5979 GPRESSAVG: 2798800 40.7543 -48.482 41.5458 -43.6188 -6.36023 -12.0996 40.566 -10.0296 -21.4616 TIMING: 2798800 CPU: 8121.62, 0.00288614/step Wall: 8121.62, 0.00288614/step, 1.76472 hours remaining, 207.761719 MB of memory in use. ENERGY: 2798800 728.4531 2133.5421 1976.7101 118.9709 -206629.8971 17887.2890 0.0000 0.0000 34279.3977 -149505.5341 299.3705 -183784.9319 -149408.2026 299.0385 35.3278 66.1018 555100.8897 4.2226 4.3108 PRESSURE: 2799000 194.734 64.3263 12.2768 64.3258 -8.56386 -74.7937 12.276 -74.792 18.838 GPRESSURE: 2799000 197.824 108.554 66.8017 53.1032 25.5616 -120.079 38.5838 -20.5727 88.7454 PRESSAVG: 2799000 24.5722 -11.5222 0.740155 -11.5222 -17.1051 27.7998 0.740122 27.7997 -20.0383 GPRESSAVG: 2799000 26.4396 -10.3486 1.74751 -15.0202 -17.854 29.0521 1.61192 26.6684 -20.9967 TIMING: 2799000 CPU: 8122.19, 0.00288292/step Wall: 8122.19, 0.00288292/step, 1.76259 hours remaining, 207.761719 MB of memory in use. ENERGY: 2799000 720.4662 2088.2543 1962.5798 123.8094 -206681.6095 18066.3857 0.0000 0.0000 34142.4052 -149577.7089 298.1741 -183720.1142 -149485.4475 298.6670 68.3362 104.0437 556794.0951 -4.1904 -4.1371 PRESSURE: 2799200 91.1519 28.4543 -32.3855 28.4538 -25.835 -15.0544 -32.3861 -15.0535 -39.6015 GPRESSURE: 2799200 98.5021 42.9534 -95.4762 -1.27212 -38.094 -55.1073 1.56657 1.70549 59.4688 PRESSAVG: 2799200 45.3245 32.6614 -49.4225 32.6615 -62.1453 19.3783 -49.4225 19.3784 9.86124 GPRESSAVG: 2799200 45.8645 31.7954 -50.0266 34.6164 -63.079 17.4677 -48.9735 18.283 10.4231 TIMING: 2799200 CPU: 8122.77, 0.0029041/step Wall: 8122.77, 0.0029041/step, 1.77537 hours remaining, 207.761719 MB of memory in use. ENERGY: 2799200 711.2666 2096.4853 1945.9842 126.8523 -206294.6836 17645.8772 0.0000 0.0000 34257.6053 -149510.6127 299.1802 -183768.2180 -149411.8904 298.4486 8.5718 39.9589 556756.6601 -2.3198 -2.2638 PRESSURE: 2799400 -61.7575 -111.447 -79.6625 -111.449 128.497 -17.457 -79.6622 -17.4585 -76.3243 GPRESSURE: 2799400 16.7305 -36.9362 -13.404 -78.9634 160.789 -46.6153 -82.9015 100.403 -85.3681 PRESSAVG: 2799400 -12.9527 12.581 -55.7955 12.5811 -22.9279 -23.0696 -55.7955 -23.0696 -20.2416 GPRESSAVG: 2799400 -13.4483 15.7274 -54.8705 10.2338 -21.5943 -23.4041 -57.1088 -21.8347 -21.1623 TIMING: 2799400 CPU: 8123.35, 0.00288999/step Wall: 8123.35, 0.00288999/step, 1.76659 hours remaining, 207.761719 MB of memory in use. ENERGY: 2799400 729.1784 2101.6891 1966.5631 115.2162 -206471.6845 17970.4969 0.0000 0.0000 34133.7274 -149454.8134 298.0983 -183588.5408 -149358.9720 298.3326 -3.1951 30.7171 555781.1373 -18.7074 -18.7350 PRESSURE: 2799600 25.6351 100.637 -38.717 100.637 -136.882 4.56024 -38.7175 4.56045 -174.32 GPRESSURE: 2799600 34.2978 120.655 -23.0973 23.111 -184.006 -10.9667 34.5768 54.3098 -30.9697 PRESSAVG: 2799600 48.9948 -23.8383 -28.4972 -23.8384 15.3936 -61.2509 -28.4972 -61.2508 -63.4663 GPRESSAVG: 2799600 48.5159 -24.0176 -29.0899 -23.3678 15.9013 -59.7527 -29.419 -61.5172 -63.521 TIMING: 2799600 CPU: 8123.93, 0.00291217/step Wall: 8123.93, 0.00291217/step, 1.77998 hours remaining, 207.761719 MB of memory in use. ENERGY: 2799600 748.6427 2094.4063 1948.1136 107.9268 -206431.6978 17869.5348 0.0000 0.0000 34297.4275 -149365.6461 299.5280 -183663.0736 -149264.7871 299.1075 -95.1890 -60.2259 558497.3820 0.3074 0.2987 PRESSURE: 2799800 -97.7049 -242.858 189.876 -242.857 -8.57497 -149.417 189.876 -149.416 -168.676 GPRESSURE: 2799800 -60.9063 -208.209 256.461 -259.881 56.9791 -232.077 167.13 -182.097 -176.332 PRESSAVG: 2799800 40.913 37.128 7.43683 37.1279 4.24457 -25.3033 7.43689 -25.3033 -50.9239 GPRESSAVG: 2799800 41.8552 35.9626 7.06684 36.7759 3.47248 -25.8648 10.1562 -25.4784 -51.4422 TIMING: 2799800 CPU: 8124.51, 0.00289485/step Wall: 8124.51, 0.00289485/step, 1.76923 hours remaining, 207.761719 MB of memory in use. ENERGY: 2799800 767.1805 2194.4121 1967.7590 118.6614 -206202.5011 17743.6226 0.0000 0.0000 34030.0864 -149380.7791 297.1932 -183410.8655 -149282.7657 299.8014 -91.6519 -60.0864 558831.4096 -1.9221 -2.0382 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800000 -293.901 -104.565 19.476 -104.566 -446.55 113.081 19.4778 113.082 18.7991 GPRESSURE: 2800000 -273.285 -115.432 -60.3041 -17.3883 -421.252 91.5281 60.2194 56.0786 65.8946 PRESSAVG: 2800000 71.8844 -8.86991 3.88595 -8.86985 5.74812 -4.1159 3.88594 -4.11588 -60.4726 GPRESSAVG: 2800000 72.1506 -7.024 4.42722 -11.0752 5.78396 -4.13038 4.6135 -4.30692 -61.1493 TIMING: 2800000 CPU: 8125.11, 0.00298678/step Wall: 8125.11, 0.00298678/step, 1.82526 hours remaining, 207.886719 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: 2800000 756.7991 2096.0860 1964.5175 129.0630 -206184.1062 17544.3539 0.0000 0.0000 34098.4229 -149594.8638 297.7900 -183693.2867 -149496.1556 298.4085 -240.5507 -209.5475 557777.3803 5.7200 5.5951 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 PRESSURE: 2800200 57.4265 83.0657 -121.513 83.0662 26.1337 8.5521 -121.512 8.55311 -119.964 GPRESSURE: 2800200 85.1021 64.2061 -78.6087 32.9147 57.4342 22.6379 -197.085 64.7385 -86.8499 PRESSAVG: 2800200 -16.2209 19.4207 4.25873 19.4207 8.72592 6.48073 4.2587 6.48074 33.1325 GPRESSAVG: 2800200 -16.8672 17.2829 3.74827 19.9223 7.76398 5.19874 1.96906 8.21641 35.1971 TIMING: 2800200 CPU: 8125.69, 0.00290913/step Wall: 8125.69, 0.00290912/step, 1.77764 hours remaining, 207.886719 MB of memory in use. ENERGY: 2800200 773.0279 2094.5264 1973.9689 112.6472 -206957.4606 18093.5440 0.0000 0.0000 34355.6139 -149554.1323 300.0361 -183909.7462 -149456.3109 298.3445 -12.1345 18.5621 557160.8826 8.5458 8.6980 LDB: ============= START OF LOAD BALANCING ============== 8129.16 LDB: ============== END OF LOAD BALANCING =============== 8129.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8129.16 LDB: ============= START OF LOAD BALANCING ============== 8129.45 LDB: Largest compute 4821 load 0.030320 is 25.7% of average load 0.117771 LDB: Average compute 0.001736 is 1.5% of average load 0.117771 LDB: TIME 8129.45 LOAD: AVG 0.117771 MAX 0.179833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.176 MB LDB: TIME 8129.45 LOAD: AVG 0.117771 MAX 0.179833 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: TIME 8129.45 LOAD: AVG 0.117771 MAX 0.179833 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8129.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8129.46 PRESSURE: 2800400 -77.3827 -69.1024 12.0159 -69.1014 -56.2106 192.175 12.0148 192.175 -24.005 GPRESSURE: 2800400 -16.4216 -53.2729 75.5913 -51.5367 -24.5839 319.516 37.295 187.07 -5.3016 PRESSAVG: 2800400 -6.03262 20.7651 18.4024 20.765 5.80568 23.337 18.4023 23.3369 0.769764 GPRESSAVG: 2800400 -5.92902 19.9283 17.7564 23.1597 6.35369 24.6568 20.2586 22.2135 0.473133 TIMING: 2800400 CPU: 8126.28, 0.00295222/step Wall: 8126.28, 0.00295222/step, 1.8038 hours remaining, 206.601562 MB of memory in use. ENERGY: 2800400 731.8006 2091.0496 1967.5900 119.3658 -206194.4768 17680.4711 0.0000 0.0000 34405.5195 -149198.6803 300.4720 -183604.1997 -149109.3860 298.9249 -52.5328 -15.4357 557635.6635 0.1809 0.2993 PRESSURE: 2800600 -70.9588 -5.0497 10.5709 -5.05028 -61.8566 72.4126 10.5712 72.4116 -91.9465 GPRESSURE: 2800600 22.2477 40.7214 47.7019 25.4607 -57.9979 84.4894 -11.8503 71.4373 -92.0623 PRESSAVG: 2800600 -5.4226 -13.2527 -17.4899 -13.2527 -52.7103 -8.05874 -17.4898 -8.05889 79.0781 GPRESSAVG: 2800600 -5.92263 -12.0733 -16.4794 -14.5234 -51.7694 -7.32748 -18.4924 -8.39444 78.963 TIMING: 2800600 CPU: 8126.86, 0.00290244/step Wall: 8126.86, 0.00290244/step, 1.77323 hours remaining, 206.601562 MB of memory in use. ENERGY: 2800600 770.3519 2102.0126 1954.5541 110.1209 -206525.5068 17840.4105 0.0000 0.0000 34436.3538 -149311.7029 300.7412 -183748.0568 -149216.4486 299.6012 -74.9206 -42.6042 556721.3545 6.9817 7.0903 PRESSURE: 2800800 139.163 49.7646 -12.3235 49.7645 -129.693 161.243 -12.3245 161.243 146.478 GPRESSURE: 2800800 128.05 106.062 -35.9548 97.8957 -65.098 164.529 24.2434 130.855 187.948 PRESSAVG: 2800800 -25.5942 41.1808 41.6395 41.1809 -12.2406 17.2657 41.6396 17.2657 48.3136 GPRESSAVG: 2800800 -25.8907 42.0564 42.525 40.3535 -13.0693 16.0029 43.7427 17.4572 49.3317 TIMING: 2800800 CPU: 8127.44, 0.00289108/step Wall: 8127.44, 0.00289107/step, 1.76613 hours remaining, 206.601562 MB of memory in use. ENERGY: 2800800 747.9190 2179.7485 1972.9878 121.5558 -206752.7678 17907.1142 0.0000 0.0000 34349.8620 -149473.5806 299.9859 -183823.4426 -149378.9276 299.5322 51.9826 83.6334 556547.6904 3.4929 3.4572 PRESSURE: 2801000 -143.598 6.45709 23.7915 6.45731 -99.5397 -117.88 23.7933 -117.88 -258.523 GPRESSURE: 2801000 -152.884 41.6258 -75.0097 -12.4162 -67.295 -218.709 18.0095 -120.084 -188.075 PRESSAVG: 2801000 6.52357 24.2801 -1.22915 24.2802 -71.4815 37.7957 -1.22915 37.7957 17.1825 GPRESSAVG: 2801000 7.61717 22.6427 -3.35592 26.692 -71.4252 38.4084 -0.428569 37.7614 15.8917 TIMING: 2801000 CPU: 8128.02, 0.00287795/step Wall: 8128.02, 0.00287795/step, 1.75795 hours remaining, 206.601562 MB of memory in use. ENERGY: 2801000 734.6360 2164.7120 1954.5514 115.2737 -205914.9981 17406.0302 0.0000 0.0000 34128.6656 -149411.1293 298.0541 -183539.7949 -149313.6631 298.7959 -167.2203 -136.0848 558113.9007 -15.9252 -15.9721 PRESSURE: 2801200 -153.058 26.4441 -13.159 26.4434 -26.4216 8.15632 -13.1587 8.15695 111.065 GPRESSURE: 2801200 -88.0693 67.4121 -43.145 154.112 -48.6964 111.883 41.2195 -126.851 164.017 PRESSAVG: 2801200 63.8632 -5.60392 81.4869 -5.604 0.453605 10.7361 81.4869 10.7361 -32.2381 GPRESSAVG: 2801200 61.8833 -4.05941 83.0117 -6.30568 2.05482 11.3234 79.9875 8.98511 -31.9573 TIMING: 2801200 CPU: 8128.6, 0.00289491/step Wall: 8128.6, 0.00289492/step, 1.76815 hours remaining, 206.601562 MB of memory in use. ENERGY: 2801200 776.9386 2102.2534 1963.8887 116.3443 -206538.0787 17823.6732 0.0000 0.0000 34114.6977 -149640.2828 297.9321 -183754.9805 -149538.4063 298.0324 -22.8046 9.0838 556816.7952 10.6929 10.6603 PRESSURE: 2801400 -93.5383 -44.5627 -191.163 -44.5634 202.761 -64.7111 -191.163 -64.7118 -266.046 GPRESSURE: 2801400 -67.7684 -64.7086 -102.702 -104.232 301.377 -37.4541 -160.314 -85.5051 -310.737 PRESSAVG: 2801400 -35.8547 11.2209 0.484961 11.2208 16.4281 -61.7892 0.48496 -61.7892 26.3538 GPRESSAVG: 2801400 -35.8276 10.2287 -0.669176 9.74931 15.3497 -62.4896 -0.222953 -59.504 27.0968 TIMING: 2801400 CPU: 8129.17, 0.00286596/step Wall: 8129.17, 0.00286596/step, 1.75031 hours remaining, 206.601562 MB of memory in use. ENERGY: 2801400 772.3356 2097.4894 1966.6995 110.2541 -206998.3363 18007.1050 0.0000 0.0000 34292.8926 -149751.5600 299.4884 -184044.4526 -149656.4408 297.7896 -52.2744 -25.7093 557058.5499 2.3091 2.2063 PRESSURE: 2801600 -26.9988 5.36239 -10.0656 5.3634 -133.278 266.352 -10.0642 266.351 -264.248 GPRESSURE: 2801600 -28.4591 -34.6396 -76.3967 74.2343 -139.677 234.272 31.4242 255.392 -163.829 PRESSAVG: 2801600 -22.8193 -28.3837 23.1289 -28.3836 30.3365 -20.442 23.129 -20.4421 -10.6432 GPRESSAVG: 2801600 -21.8923 -29.2184 22.7834 -25.4849 30.0348 -20.3506 24.4732 -21.1505 -11.7196 TIMING: 2801600 CPU: 8129.75, 0.00289734/step Wall: 8129.75, 0.00289734/step, 1.76931 hours remaining, 206.601562 MB of memory in use. ENERGY: 2801600 754.3788 2096.6737 1961.2793 112.0372 -206262.0796 17725.9273 0.0000 0.0000 33874.4323 -149737.3510 295.8338 -183611.7833 -149637.6409 297.7683 -141.5083 -110.6552 558167.2754 -1.0420 -1.1924 PRESSURE: 2801800 -325.886 -47.1422 -225.681 -47.1423 86.049 31.3645 -225.681 31.3659 -302.111 GPRESSURE: 2801800 -259.282 -85.9136 -220.106 -42.8513 90.392 -25.787 -243.854 123.807 -280.723 PRESSAVG: 2801800 6.39388 -16.8358 -41.0695 -16.8359 22.774 39.3073 -41.0695 39.3074 -28.7978 GPRESSAVG: 2801800 6.0133 -16.5051 -40.8928 -17.0568 22.4464 39.0307 -41.9552 38.5203 -28.399 TIMING: 2801800 CPU: 8130.33, 0.00289327/step Wall: 8130.33, 0.00289327/step, 1.76666 hours remaining, 206.601562 MB of memory in use. ENERGY: 2801800 743.4156 2116.6158 1971.7543 114.8850 -206365.0853 17701.8618 0.0000 0.0000 34019.7984 -149696.7542 297.1034 -183716.5527 -149606.0186 297.5827 -180.6493 -149.8710 557797.4983 0.1234 0.0202 PRESSURE: 2802000 -177.235 -23.3953 -112.373 -23.3956 25.8222 -78.8947 -112.372 -78.8939 -180.527 GPRESSURE: 2802000 -102.694 -1.49203 -32.5384 -30.1983 52.3286 -121.107 -105.82 -27.6566 -172.384 PRESSAVG: 2802000 -127.297 -3.48128 -19.5492 -3.4813 76.7638 61.5963 -19.5492 61.5963 -3.43081 GPRESSAVG: 2802000 -127.146 -3.15111 -18.2235 -4.04288 76.8829 62.51 -19.2501 61.4775 -3.54349 TIMING: 2802000 CPU: 8130.91, 0.00288597/step Wall: 8130.91, 0.00288597/step, 1.76205 hours remaining, 206.601562 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: 2802000 790.5404 2070.2415 1983.0917 110.6091 -206511.8815 17732.2538 0.0000 0.0000 34313.5299 -149511.6151 299.6686 -183825.1450 -149412.8525 298.4263 -110.6465 -74.2497 556921.7790 -17.9880 -17.9354 PRESSURE: 2802200 -33.1206 38.9755 44.4484 38.976 104.006 18.9864 44.4481 18.9865 -97.7697 GPRESSURE: 2802200 -5.21531 53.5344 -11.5473 39.4065 91.2541 -0.492657 94.5284 39.8892 -31.949 PRESSAVG: 2802200 -34.0161 13.2567 -53.541 13.2567 81.4129 -20.8729 -53.541 -20.8729 -44.3186 GPRESSAVG: 2802200 -34.4902 13.0061 -56.5149 12.6992 80.8482 -20.5223 -51.6679 -19.37 -43.6203 TIMING: 2802200 CPU: 8131.48, 0.00288856/step Wall: 8131.48, 0.00288856/step, 1.76347 hours remaining, 206.601562 MB of memory in use. ENERGY: 2802200 776.8603 2082.0148 1975.0583 102.6182 -206592.6189 17914.8551 0.0000 0.0000 34188.0532 -149553.1589 298.5728 -183741.2121 -149458.3307 298.4096 -8.9614 18.0299 556298.7136 1.0260 0.9125 PRESSURE: 2802400 67.0506 196.062 22.5333 196.061 -1.59299 88.7368 22.5339 88.7379 87.9445 GPRESSURE: 2802400 82.4146 133.411 5.33113 193.614 75.5118 67.3733 118.052 19.5825 85.5459 PRESSAVG: 2802400 12.6656 5.1848 -23.3563 5.18471 15.4799 10.9919 -23.3563 10.992 -33.4437 GPRESSAVG: 2802400 12.5079 7.647 -21.3713 6.52329 15.9544 9.99969 -26.0734 10.4932 -34.0909 TIMING: 2802400 CPU: 8132.06, 0.00288654/step Wall: 8132.06, 0.00288654/step, 1.76207 hours remaining, 206.601562 MB of memory in use. ENERGY: 2802400 756.2834 2076.0004 1950.1726 112.9234 -206616.8752 17933.8527 0.0000 0.0000 34200.5713 -149587.0713 298.6821 -183787.6426 -149491.7450 298.0630 51.1340 81.1575 556191.8413 -1.7660 -1.8762 PRESSURE: 2802600 -134.735 -54.9489 -72.5948 -54.9502 -301.032 211.843 -72.5955 211.842 -458.845 GPRESSURE: 2802600 -53.775 -6.70606 -89.3111 -10.9556 -338.459 117.229 -92.5198 257.267 -397.624 PRESSAVG: 2802600 45.9773 47.9077 -35.446 47.9076 -27.9155 54.7777 -35.446 54.7778 -12.0803 GPRESSAVG: 2802600 46.5009 47.5902 -36.1965 46.8278 -28.142 54.8313 -33.9608 53.2768 -12.7161 TIMING: 2802600 CPU: 8132.64, 0.00291113/step Wall: 8132.64, 0.00291113/step, 1.77692 hours remaining, 206.601562 MB of memory in use. ENERGY: 2802600 729.5173 2141.5241 1969.3806 121.3658 -206184.8148 17357.6963 0.0000 0.0000 34100.6794 -149764.6512 297.8097 -183865.3306 -149663.0365 297.9720 -298.2040 -263.2860 556606.8783 1.9939 1.8810 PRESSURE: 2802800 -115.985 105.323 -142.153 105.323 -53.6973 134.959 -142.152 134.959 -50.2949 GPRESSURE: 2802800 -72.7611 75.0929 -186.172 137.899 -81.5332 68.1167 -134.803 120.179 29.589 PRESSAVG: 2802800 -13.6964 41.6849 -6.03045 41.6851 59.4407 59.0346 -6.03035 59.0346 -49.1534 GPRESSAVG: 2802800 -14.3447 41.1555 -5.17516 42.543 58.6557 57.6027 -8.16076 62.3108 -47.9603 TIMING: 2802800 CPU: 8133.22, 0.00288749/step Wall: 8133.22, 0.00288749/step, 1.76233 hours remaining, 206.601562 MB of memory in use. ENERGY: 2802800 762.9306 2049.7723 1985.2819 98.7800 -206466.2697 17710.6254 0.0000 0.0000 34095.4709 -149763.4086 297.7642 -183858.8795 -149665.2298 297.2352 -73.3258 -41.5684 555904.3966 -1.1364 -1.2164 PRESSURE: 2803000 -88.0131 4.74162 -80.629 4.74316 64.5716 34.8785 -80.6281 34.8781 41.4957 GPRESSURE: 2803000 -9.41554 80.8773 3.18135 22.2888 77.364 -39.6922 -99.614 107.679 59.7072 PRESSAVG: 2803000 86.2426 51.5157 -38.8318 51.5157 -14.6146 37.381 -38.8318 37.381 -56.1296 GPRESSAVG: 2803000 87.0782 50.7928 -37.617 51.6972 -14.1321 37.8583 -38.7223 36.3303 -57.4493 TIMING: 2803000 CPU: 8133.79, 0.00286708/step Wall: 8133.79, 0.00286708/step, 1.74972 hours remaining, 206.601562 MB of memory in use. ENERGY: 2803000 717.0749 2004.2666 1962.1036 113.5061 -206326.6934 17719.5110 0.0000 0.0000 34075.0867 -149735.1445 297.5862 -183810.2312 -149637.6172 296.5571 6.0181 42.5519 556044.0985 5.1661 5.1656 PRESSURE: 2803200 78.0187 -59.3528 -108.961 -59.3521 153.884 -119.371 -108.96 -119.37 -86.9337 GPRESSURE: 2803200 50.5865 -90.8823 -75.4529 -20.2328 235.189 -14.8114 -153.539 -178.124 -49.9923 PRESSAVG: 2803200 -7.84485 67.2007 -12.9558 67.2007 60.801 -27.5763 -12.9557 -27.5764 -36.2274 GPRESSAVG: 2803200 -8.06985 68.6993 -14.5692 68.0205 60.3972 -26.4022 -9.97608 -29.5553 -36.261 TIMING: 2803200 CPU: 8134.37, 0.00287295/step Wall: 8134.37, 0.00287295/step, 1.75314 hours remaining, 206.601562 MB of memory in use. ENERGY: 2803200 743.2892 2060.3012 1983.3065 125.5671 -206981.1461 18091.3104 0.0000 0.0000 34197.3668 -149780.0049 298.6541 -183977.3717 -149689.4498 298.0888 48.3229 78.5945 556436.6987 5.5762 5.3554 PRESSURE: 2803400 -319.399 84.8559 -83.3397 84.8568 412.675 121.043 -83.3397 121.043 126.805 GPRESSURE: 2803400 -266.521 68.6179 -83.6101 116.581 445.24 97.0017 -25.5926 91.7845 130.483 PRESSAVG: 2803400 28.7431 -16.7973 -21.7371 -16.7973 31.2913 -19.8577 -21.7372 -19.8577 -3.76479 GPRESSAVG: 2803400 28.0941 -16.9414 -21.5231 -17.6122 30.5473 -22.0195 -22.4479 -17.6042 -2.89981 TIMING: 2803400 CPU: 8134.94, 0.0028792/step Wall: 8134.94, 0.0028792/step, 1.75679 hours remaining, 206.601562 MB of memory in use. ENERGY: 2803400 777.0850 2040.3534 1966.7568 112.3560 -206542.6863 18043.5109 0.0000 0.0000 34047.7889 -149554.8353 297.3478 -183602.6242 -149459.9088 298.0157 73.3604 103.0674 557952.3584 18.7565 18.5805 PRESSURE: 2803600 -48.8038 -77.7859 -63.2326 -77.7851 -345.366 -191.684 -63.2327 -191.683 -53.2639 GPRESSURE: 2803600 -29.1208 -123.653 -14.6912 -119.292 -265.011 -214.729 -83.6453 -124.996 -51.6548 PRESSAVG: 2803600 -6.69708 -8.77501 -6.11215 -8.77498 37.9391 -37.3823 -6.11215 -37.3823 -7.52665 GPRESSAVG: 2803600 -6.52576 -10.614 -4.35522 -7.49041 38.8496 -37.8172 -6.82153 -36.9143 -8.42546 TIMING: 2803600 CPU: 8135.52, 0.00288617/step Wall: 8135.52, 0.00288617/step, 1.76089 hours remaining, 206.601562 MB of memory in use. ENERGY: 2803600 762.8963 2070.6396 1970.6281 119.0099 -206127.7679 17588.1180 0.0000 0.0000 33983.7913 -149632.6849 296.7889 -183616.4761 -149537.7710 298.1831 -149.1446 -115.2622 557797.2528 7.9051 7.9661 PRESSURE: 2803800 -60.7946 126.165 41.7837 126.166 164.617 -248.242 41.7854 -248.242 -40.3901 GPRESSURE: 2803800 39.2379 66.1021 -46.6153 193.314 168.314 -225.271 9.63981 -287.539 -43.2016 PRESSAVG: 2803800 29.3807 12.5052 4.26337 12.5051 -22.7455 -56.7601 4.26333 -56.7601 -23.0617 GPRESSAVG: 2803800 29.8795 15.0486 1.81719 10.9912 -23.0411 -54.4401 4.00188 -60.2706 -23.3778 TIMING: 2803800 CPU: 8136.1, 0.00289306/step Wall: 8136.1, 0.00289306/step, 1.76493 hours remaining, 206.601562 MB of memory in use. ENERGY: 2803800 741.4297 2100.5811 1965.6952 115.7778 -206540.8840 17880.1258 0.0000 0.0000 33959.7289 -149777.5454 296.5788 -183737.2744 -149679.5450 297.5688 21.1441 54.7833 556155.4120 -5.4755 -5.5132 PRESSURE: 2804000 -24.4903 79.7442 24.0616 79.7439 -156.287 -117.738 24.062 -117.739 -132.449 GPRESSURE: 2804000 -9.11869 93.0037 -14.0541 41.1123 -135.051 -159.366 43.8109 -164.691 -75.4742 PRESSAVG: 2804000 27.5292 -25.1306 -32.5734 -25.1305 -27.3124 -17.9396 -32.5734 -17.9395 14.6107 GPRESSAVG: 2804000 25.8749 -26.178 -32.552 -26.6415 -28.2969 -19.3965 -31.9361 -15.8678 16.8353 TIMING: 2804000 CPU: 8136.68, 0.0028789/step Wall: 8136.68, 0.0028789/step, 1.75613 hours remaining, 206.601562 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: 2804000 713.9472 2090.2671 1977.5356 112.0187 -206453.3188 17814.8900 0.0000 0.0000 34002.6017 -149742.0586 296.9532 -183744.6603 -149646.6672 297.8822 -104.4089 -73.2146 558329.6674 4.9425 4.8044 PRESSURE: 2804200 -103.187 -180.211 118.53 -180.212 -198.343 101.532 118.531 101.535 50.8675 GPRESSURE: 2804200 -107.559 -112.106 1.02525 -203.244 -147.916 49.7338 132.831 101.096 99.5644 PRESSAVG: 2804200 -5.76757 32.6164 14.3912 32.6164 13.1793 -9.8824 14.3913 -9.8823 11.3323 GPRESSAVG: 2804200 -5.28302 35.6168 13.0703 32.884 14.9407 -8.81315 15.6595 -10.308 9.85162 TIMING: 2804200 CPU: 8137.25, 0.002866/step Wall: 8137.25, 0.002866/step, 1.7481 hours remaining, 206.601562 MB of memory in use. ENERGY: 2804200 719.8804 2087.8452 1957.9789 114.8993 -206179.8934 17542.2055 0.0000 0.0000 34234.8136 -149522.2706 298.9811 -183757.0842 -149433.7288 297.8288 -83.5542 -51.9704 556152.4319 6.2480 6.5031 LDB: ============= START OF LOAD BALANCING ============== 8140.71 LDB: ============== END OF LOAD BALANCING =============== 8140.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8140.71 LDB: ============= START OF LOAD BALANCING ============== 8141 LDB: Largest compute 4821 load 0.030108 is 25.6% of average load 0.117737 LDB: Average compute 0.001730 is 1.5% of average load 0.117737 LDB: TIME 8141 LOAD: AVG 0.117737 MAX 0.177393 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208 MB LDB: TIME 8141 LOAD: AVG 0.117737 MAX 0.177393 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.062 MB LDB: TIME 8141 LOAD: AVG 0.117737 MAX 0.177393 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.062 MB LDB: ============== END OF LOAD BALANCING =============== 8141.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8141.01 PRESSURE: 2804400 -97.7718 -60.7706 96.2561 -60.7722 -32.8545 93.3241 96.2574 93.3232 -495.418 GPRESSURE: 2804400 -157.11 -41.833 92.8554 -39.3161 47.7875 114.982 147.161 48.7855 -415.267 PRESSAVG: 2804400 21.2317 -1.46321 -24.6051 -1.46328 7.11404 56.0232 -24.6052 56.0232 -25.5545 GPRESSAVG: 2804400 21.83 -2.42313 -24.6484 -2.13771 7.00796 54.5991 -25.4062 55.6366 -25.8378 TIMING: 2804400 CPU: 8137.83, 0.00292862/step Wall: 8137.83, 0.00292862/step, 1.78613 hours remaining, 207.992188 MB of memory in use. ENERGY: 2804400 775.0494 2065.6130 1964.6918 111.8744 -206155.5126 17525.5153 0.0000 0.0000 34296.1272 -149416.6413 299.5166 -183712.7686 -149319.8499 298.8045 -208.6814 -174.8633 556956.0942 0.9304 1.0001 PRESSURE: 2804600 -15.8948 -129.555 -2.20942 -129.556 25.1902 -37.643 -2.20939 -37.6429 12.3839 GPRESSURE: 2804600 -11.2971 -123.569 13.9052 -151.211 113.217 -78.2382 24.6756 59.0752 19.9027 PRESSAVG: 2804600 25.811 -2.63511 20.7744 -2.6352 14.2052 -8.95371 20.7743 -8.95369 -29.3188 GPRESSAVG: 2804600 26.5398 -3.4881 21.4212 -1.59322 14.1682 -6.83705 19.6492 -9.94466 -29.109 TIMING: 2804600 CPU: 8138.41, 0.00286748/step Wall: 8138.41, 0.00286748/step, 1.74868 hours remaining, 208.136719 MB of memory in use. ENERGY: 2804600 738.6653 2025.5702 1950.7101 92.9679 -206269.8871 17756.3529 0.0000 0.0000 34187.4925 -149518.1282 298.5679 -183705.6206 -149420.7408 298.4978 7.2264 40.6075 555400.2330 3.5658 3.8664 PRESSURE: 2804800 23.8192 -299.075 111.139 -299.075 -111.014 -66.1862 111.138 -66.1874 -77.2353 GPRESSURE: 2804800 83.5766 -260.324 57.6672 -328.08 -87.4811 26.1824 79.7935 -157.306 -73.9287 PRESSAVG: 2804800 26.5225 -9.91852 43.8036 -9.91857 35.6898 25.2917 43.8036 25.2915 -23.7838 GPRESSAVG: 2804800 27.2934 -9.22386 45.7971 -9.1416 34.7612 23.4913 41.5207 26.6608 -23.097 TIMING: 2804800 CPU: 8138.98, 0.00287263/step Wall: 8138.98, 0.00287263/step, 1.75167 hours remaining, 208.136719 MB of memory in use. ENERGY: 2804800 727.0823 2040.9397 1956.5210 104.8909 -206269.2658 17696.2756 0.0000 0.0000 34176.0980 -149567.4582 298.4684 -183743.5562 -149472.0405 298.5362 -54.8099 -25.9444 557555.1739 12.8095 12.9859 PRESSURE: 2805000 -89.1427 -73.2049 1.10269 -73.2047 -395.992 164.686 1.10212 164.687 -213.82 GPRESSURE: 2805000 -56.2919 -82.0645 25.9398 16.6364 -379.281 201.286 44.8056 99.6101 -163.763 PRESSAVG: 2805000 52.0462 -33.99 38.1411 -33.99 -102.548 86.7172 38.1411 86.7173 4.13677 GPRESSAVG: 2805000 52.4152 -34.9887 36.0822 -33.6126 -102.805 86.284 40.2108 86.1493 3.82879 TIMING: 2805000 CPU: 8139.56, 0.00289539/step Wall: 8139.56, 0.00289539/step, 1.76538 hours remaining, 208.398438 MB of memory in use. ENERGY: 2805000 750.4036 2034.2145 1965.6602 123.8815 -205928.1430 17495.4619 0.0000 0.0000 34038.7649 -149519.7564 297.2690 -183558.5213 -149415.6783 297.9430 -232.9847 -199.7788 558354.7490 -15.4549 -15.5203 PRESSURE: 2805200 -129.618 -206.31 -110.583 -206.309 -304.38 147.508 -110.583 147.51 -52.0353 GPRESSURE: 2805200 -60.8575 -178.626 -72.8696 -128.366 -264.233 174.751 -120.117 74.3543 -58.4725 PRESSAVG: 2805200 57.6661 21.8074 -7.5715 21.8074 -31.204 -20.1026 -7.5714 -20.1025 -32.7293 GPRESSAVG: 2805200 57.372 21.7066 -7.52913 21.9485 -31.5948 -19.495 -8.05662 -18.2391 -31.9783 TIMING: 2805200 CPU: 8140.14, 0.00290559/step Wall: 8140.14, 0.00290559/step, 1.77144 hours remaining, 208.398438 MB of memory in use. ENERGY: 2805200 787.6900 2086.9870 1930.2616 112.8676 -206455.3468 17733.1240 0.0000 0.0000 34280.8582 -149523.5583 299.3833 -183804.4166 -149427.0002 298.5790 -162.0113 -127.8542 557424.4666 -2.0891 -2.0670 PRESSURE: 2805400 16.4416 153.127 84.9612 153.127 138.038 -23.8058 84.9613 -23.8044 -330.889 GPRESSURE: 2805400 6.33169 128.714 109.814 72.5549 173.245 20.8256 14.9524 -73.5168 -266.11 PRESSAVG: 2805400 -25.3041 24.0996 -33.6944 24.0996 19.6294 -10.7674 -33.6944 -10.7674 57.3129 GPRESSAVG: 2805400 -26.4716 22.0884 -31.9368 26.3493 20.2312 -10.6939 -35.0049 -10.6359 57.9132 TIMING: 2805400 CPU: 8140.72, 0.00289631/step Wall: 8140.72, 0.00289631/step, 1.76562 hours remaining, 208.398438 MB of memory in use. ENERGY: 2805400 750.3235 2055.2629 1936.6105 112.6296 -206209.1336 17652.5962 0.0000 0.0000 34264.0983 -149437.6124 299.2369 -183701.7107 -149340.0701 298.5957 -58.8033 -28.8445 556107.9168 17.2127 17.2243 PRESSURE: 2805600 6.16199 -2.01431 73.9717 -2.015 -79.8552 -96.782 73.9705 -96.7824 69.5463 GPRESSURE: 2805600 -8.24506 -2.22152 76.6186 -50.1907 -57.795 -147.089 78.0299 -78.4917 160.118 PRESSAVG: 2805600 -33.3672 -0.929516 -79.9357 -0.929525 -65.1906 -20.8828 -79.9357 -20.8828 70.8664 GPRESSAVG: 2805600 -31.4689 -0.642964 -80.2006 -4.27425 -65.4562 -22.135 -76.7134 -21.4695 69.634 TIMING: 2805600 CPU: 8141.3, 0.00289207/step Wall: 8141.3, 0.00289207/step, 1.76288 hours remaining, 208.398438 MB of memory in use. ENERGY: 2805600 775.5705 2115.3866 1953.7709 115.2316 -206531.1670 17912.8797 0.0000 0.0000 34249.9500 -149408.3777 299.1133 -183658.3277 -149304.5286 298.1221 -1.3823 31.3593 557175.2667 -9.2305 -9.0970 PRESSURE: 2805800 -57.0345 -117.635 248.888 -117.636 -117.86 16.0775 248.888 16.0775 -96.8325 GPRESSURE: 2805800 -86.4198 -77.3434 207.909 -220.612 -103.207 -3.52903 276.508 59.2117 11.1731 PRESSAVG: 2805800 -40.0107 -12.2136 10.0287 -12.2135 -54.2978 28.8761 10.0286 28.876 73.3185 GPRESSAVG: 2805800 -41.5212 -11.2379 10.8755 -13.1383 -53.983 29.3686 8.70685 26.9339 74.9044 TIMING: 2805800 CPU: 8141.88, 0.00288062/step Wall: 8141.88, 0.00288062/step, 1.75574 hours remaining, 208.398438 MB of memory in use. ENERGY: 2805800 713.9196 2108.8247 1963.3961 113.2026 -206070.6269 17731.7625 0.0000 0.0000 33896.1565 -149543.3649 296.0236 -183439.5214 -149443.6250 298.8237 -90.5756 -59.4844 558769.4583 -6.9967 -6.8666 PRESSURE: 2806000 -53.4554 -92.6187 -48.3844 -92.6183 -119.767 -58.8766 -48.3831 -58.8758 -32.5018 GPRESSURE: 2806000 30.0453 -84.0558 -48.5958 -95.151 -80.2698 -39.0805 -55.1737 -117.387 -52.3314 PRESSAVG: 2806000 -38.7457 -17.7604 6.65867 -17.7603 40.768 -14.3966 6.6586 -14.3964 -11.2265 GPRESSAVG: 2806000 -39.3596 -17.3697 7.37467 -15.5547 41.6764 -15.4377 4.39497 -12.7613 -11.7075 TIMING: 2806000 CPU: 8142.46, 0.00289395/step Wall: 8142.46, 0.00289395/step, 1.7637 hours remaining, 208.601562 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: 2806000 714.6128 2122.9378 1968.0600 129.0727 -206428.3391 17737.7135 0.0000 0.0000 34151.2805 -149604.6618 298.2516 -183755.9423 -149505.9319 298.0135 -68.5746 -34.1853 557639.1067 -3.0680 -3.1302 PRESSURE: 2806200 -211.939 21.564 13.7798 21.5637 -67.9336 21.8769 13.781 21.8775 -38.4773 GPRESSURE: 2806200 -190.912 -10.4199 -20.5965 3.54492 -51.1887 52.1161 -20.8799 -42.0405 18.1187 PRESSAVG: 2806200 40.7726 -4.60785 -15.5224 -4.60783 -47.5285 20.2808 -15.5224 20.2809 -14.0097 GPRESSAVG: 2806200 41.1763 -5.43622 -19.7336 -3.98853 -46.0109 22.3577 -13.1216 19.5328 -15.6305 TIMING: 2806200 CPU: 8143.03, 0.00288034/step Wall: 8143.03, 0.00288034/step, 1.75525 hours remaining, 208.601562 MB of memory in use. ENERGY: 2806200 749.2604 2101.9793 1970.3026 127.0167 -206231.8025 17572.3732 0.0000 0.0000 34039.5098 -149671.3606 297.2755 -183710.8704 -149572.2899 297.6320 -106.1167 -74.6606 557676.4783 -6.9219 -6.8217 PRESSURE: 2806400 138.025 -63.2252 177.199 -63.2231 -235.876 97.2797 177.2 97.2804 -110.869 GPRESSURE: 2806400 106.215 -51.7986 243.305 -27.5235 -150.027 126.393 155.819 -25.0792 -62.5389 PRESSAVG: 2806400 9.70299 5.93074 4.62593 5.93081 -49.771 -34.5692 4.62591 -34.5692 73.186 GPRESSAVG: 2806400 10.2426 6.68039 7.26431 5.31091 -51.5206 -36.9886 3.605 -33.8521 74.5906 TIMING: 2806400 CPU: 8143.61, 0.00289309/step Wall: 8143.61, 0.00289309/step, 1.76286 hours remaining, 208.601562 MB of memory in use. ENERGY: 2806400 754.3743 2079.8771 1956.4916 117.7077 -206767.7899 17916.2658 0.0000 0.0000 33907.4342 -150035.6392 296.1221 -183943.0734 -149942.0963 296.9795 -69.5734 -35.4501 558229.0672 11.0393 11.1042 PRESSURE: 2806600 -243.819 -43.1083 109.118 -43.1085 -54.7601 -13.948 109.118 -13.9478 82.1636 GPRESSURE: 2806600 -195.073 -82.7467 120.189 -47.5806 -64.3987 -74.074 85.262 18.1539 139.122 PRESSAVG: 2806600 -19.1796 58.3519 34.3239 58.3519 52.2014 -66.6107 34.3239 -66.6107 20.6496 GPRESSAVG: 2806600 -18.2939 58.9591 33.2443 57.4406 51.8815 -65.2675 37.1727 -66.1717 19.9906 TIMING: 2806600 CPU: 8144.19, 0.00288703/step Wall: 8144.19, 0.00288703/step, 1.75901 hours remaining, 208.601562 MB of memory in use. ENERGY: 2806600 800.8621 2121.5476 1961.4019 114.7193 -206866.4859 17968.1664 0.0000 0.0000 34124.5779 -149775.2106 298.0184 -183899.7885 -149686.8850 297.2227 -72.1384 -40.1166 557292.8041 17.8905 17.8594 PRESSURE: 2806800 -76.3341 105.927 -27.329 105.927 75.5665 74.0031 -27.329 74.0036 16.9114 GPRESSURE: 2806800 -11.3052 89.2481 -88.8599 116.06 37.0118 78.3824 42.8741 -7.35599 92.8989 PRESSAVG: 2806800 33.2032 -42.9725 37.3231 -42.9725 -66.3931 -36.3636 37.3231 -36.3636 8.22165 GPRESSAVG: 2806800 32.4118 -44.8313 36.8723 -40.7739 -65.5526 -35.9634 36.1526 -36.5175 8.01704 TIMING: 2806800 CPU: 8144.77, 0.00289453/step Wall: 8144.77, 0.00289453/step, 1.76341 hours remaining, 208.601562 MB of memory in use. ENERGY: 2806800 765.8157 2162.3353 1963.1571 103.3407 -206771.0169 17955.1735 0.0000 0.0000 34271.0521 -149550.1424 299.2976 -183821.1945 -149448.3052 297.6935 5.3813 39.5352 556872.4606 -8.3228 -8.3746 PRESSURE: 2807000 129.056 130.21 134.231 130.212 244.49 45.5388 134.231 45.5381 101.164 GPRESSURE: 2807000 120.741 83.6755 54.0649 185.789 284.428 -73.725 143.256 50.9129 163.763 PRESSAVG: 2807000 3.96294 -3.05889 28.0897 -3.05893 20.8591 -9.00056 28.0897 -9.00045 -14.3998 GPRESSAVG: 2807000 4.79651 -2.23739 29.8419 -4.81137 21.15 -8.61013 25.7749 -9.81745 -15.4693 TIMING: 2807000 CPU: 8145.34, 0.00287131/step Wall: 8145.34, 0.00287131/step, 1.74911 hours remaining, 208.601562 MB of memory in use. ENERGY: 2807000 712.0835 2099.4801 1983.8686 140.8739 -206571.2208 17966.0358 0.0000 0.0000 34134.1363 -149534.7425 298.1019 -183668.8788 -149438.7952 298.8792 158.2368 189.6437 555999.8126 3.4741 3.4924 PRESSURE: 2807200 0.367164 -89.4891 -28.2912 -89.4881 25.2632 87.9166 -28.2922 87.9165 -347.822 GPRESSURE: 2807200 16.7976 -113.495 -34.4225 -31.0438 82.6523 21.7649 31.9299 200.496 -334.232 PRESSAVG: 2807200 12.1573 -13.3444 -25.297 -13.3443 18.7923 -17.7496 -25.297 -17.7496 -15.7183 GPRESSAVG: 2807200 11.6809 -12.5058 -27.5068 -13.4243 18.4513 -18.9979 -24.2962 -15.5963 -15.4418 TIMING: 2807200 CPU: 8145.92, 0.00288857/step Wall: 8145.92, 0.00288857/step, 1.75946 hours remaining, 208.601562 MB of memory in use. ENERGY: 2807200 748.1654 2079.6194 1970.2236 132.3866 -206298.5273 17765.7460 0.0000 0.0000 34042.2718 -149560.1145 297.2996 -183602.3863 -149458.7230 298.7407 -107.3972 -78.2608 557116.9333 5.0771 4.8968 PRESSURE: 2807400 10.8081 -168.826 -149.059 -168.827 103.948 30.0731 -149.059 30.073 -224.166 GPRESSURE: 2807400 59.2015 -60.6923 -11.4485 -130.339 116.726 15.0357 -124.932 86.0034 -185.269 PRESSAVG: 2807400 -2.81342 -4.05903 -73.6122 -4.05902 6.88876 28.342 -73.6122 28.3421 -39.632 GPRESSAVG: 2807400 -3.12032 -3.59653 -69.4128 -2.52159 7.30554 28.5151 -75.2867 27.6106 -38.9134 TIMING: 2807400 CPU: 8146.49, 0.00288318/step Wall: 8146.49, 0.00288318/step, 1.75602 hours remaining, 208.601562 MB of memory in use. ENERGY: 2807400 772.6767 2129.7246 1972.2099 123.1380 -206490.2942 17722.1343 0.0000 0.0000 34232.1984 -149538.2124 298.9583 -183770.4107 -149444.0107 298.3684 -36.4701 -3.1140 556793.4113 -11.8522 -11.5761 PRESSURE: 2807600 23.5341 -156.371 127.621 -156.37 -64.7986 148.643 127.62 148.643 111.728 GPRESSURE: 2807600 77.2953 -182.161 105.347 -64.8847 -34.3377 145.772 137.959 162.022 120.535 PRESSAVG: 2807600 -21.8615 -22.4395 23.8732 -22.4396 42.8287 25.1396 23.8731 25.1395 12.2335 GPRESSAVG: 2807600 -21.1144 -23.5273 22.1734 -23.8588 43.3799 26.9445 25.383 25.122 11.1907 TIMING: 2807600 CPU: 8147.07, 0.00289336/step Wall: 8147.07, 0.00289336/step, 1.76206 hours remaining, 208.601562 MB of memory in use. ENERGY: 2807600 788.0197 2163.3666 1988.4678 118.3469 -206586.4321 17998.0092 0.0000 0.0000 33971.6444 -149558.5776 296.6828 -183530.2220 -149469.4810 297.9123 23.4879 54.4974 556672.7304 11.0669 11.1521 PRESSURE: 2807800 -8.02251 234.986 22.7286 234.986 89.1292 23.6954 22.7277 23.695 66.6644 GPRESSURE: 2807800 -3.79775 146.382 17.8297 274.038 85.4978 75.2056 17.6841 82.6341 166.216 PRESSAVG: 2807800 3.10598 -7.30143 -4.43813 -7.30143 16.2454 -16.9885 -4.43816 -16.9886 -29.3266 GPRESSAVG: 2807800 4.70142 -8.41971 -4.27464 -3.01608 14.6919 -17.6723 -5.00231 -17.6052 -29.3983 TIMING: 2807800 CPU: 8147.65, 0.00290346/step Wall: 8147.65, 0.00290346/step, 1.76804 hours remaining, 208.601562 MB of memory in use. ENERGY: 2807800 760.5461 2115.0227 1985.7107 105.2738 -206637.2815 17900.9540 0.0000 0.0000 34381.6509 -149388.1232 300.2635 -183769.7742 -149283.5235 298.3190 49.2570 82.6385 557223.5872 -3.3251 -3.3350 PRESSURE: 2808000 -244.488 81.1184 -143.356 81.1188 -115.329 -16.9093 -143.355 -16.909 -272.205 GPRESSURE: 2808000 -225.49 94.7023 -78.0226 3.76371 -76.8533 -16.8659 -122.733 -30.4009 -236.935 PRESSAVG: 2808000 -3.4665 -14.7461 -4.57738 -14.7461 45.2045 57.0911 -4.57726 57.0912 -2.46223 GPRESSAVG: 2808000 -5.58218 -12.7909 -4.86054 -19.9424 46.0289 56.8595 -2.50237 56.527 -1.71056 TIMING: 2808000 CPU: 8148.23, 0.00288815/step Wall: 8148.23, 0.00288815/step, 1.75856 hours remaining, 208.601562 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: 2808000 769.2708 2046.7557 1946.0062 116.0683 -205885.3390 17563.5409 0.0000 0.0000 34026.1271 -149417.5699 297.1586 -183443.6970 -149317.3469 298.7699 -210.6740 -179.7593 559155.5088 13.0919 12.9121 PRESSURE: 2808200 -89.9158 86.4112 -52.2597 86.4115 -115.069 74.208 -52.2603 74.2081 -47.3269 GPRESSURE: 2808200 -44.5307 83.6019 -139.195 181.235 -131.978 50.9571 30.2941 16.0469 10.5562 PRESSAVG: 2808200 -5.82341 7.69711 34.2415 7.69717 9.02223 7.38765 34.2414 7.38767 -36.4769 GPRESSAVG: 2808200 -4.94673 7.33329 34.5982 8.85616 9.37485 6.93902 31.0708 7.57083 -37.4365 TIMING: 2808200 CPU: 8148.81, 0.00289349/step Wall: 8148.81, 0.00289348/step, 1.76165 hours remaining, 208.601562 MB of memory in use. ENERGY: 2808200 721.5153 2106.7466 1954.9033 111.8654 -206425.2788 17860.7460 0.0000 0.0000 34290.9090 -149378.5931 299.4710 -183669.5021 -149268.6863 298.9580 -84.1039 -55.3176 557825.4059 -11.0927 -11.0028 LDB: ============= START OF LOAD BALANCING ============== 8152.27 LDB: ============== END OF LOAD BALANCING =============== 8152.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8152.28 LDB: ============= START OF LOAD BALANCING ============== 8152.56 LDB: Largest compute 4821 load 0.029606 is 25.1% of average load 0.117736 LDB: Average compute 0.001730 is 1.5% of average load 0.117736 LDB: TIME 8152.57 LOAD: AVG 0.117736 MAX 0.179294 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 8152.57 LOAD: AVG 0.117736 MAX 0.179294 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 8152.57 LOAD: AVG 0.117736 MAX 0.179294 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 8152.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8152.57 PRESSURE: 2808400 -122.148 77.2085 -7.47348 77.2085 1.98777 200.82 -7.47292 200.82 -113.801 GPRESSURE: 2808400 -99.8888 150.775 -89.165 63.8166 52.7559 137.495 18.6476 213.232 -83.1707 PRESSAVG: 2808400 59.59 26.8237 -17.2153 26.8237 -45.3409 -22.3418 -17.2153 -22.3418 -36.3968 GPRESSAVG: 2808400 59.5255 28.3501 -16.5215 27.1981 -45.3886 -22.096 -15.9355 -22.1326 -35.2977 TIMING: 2808400 CPU: 8149.4, 0.00293661/step Wall: 8149.4, 0.00293661/step, 1.78775 hours remaining, 205.898438 MB of memory in use. ENERGY: 2808400 728.7234 2069.5638 1961.7491 125.3344 -206134.0422 17710.1285 0.0000 0.0000 34254.3413 -149284.2017 299.1517 -183538.5431 -149190.9714 298.8927 -77.9870 -43.4345 559645.4833 -7.3825 -7.0536 PRESSURE: 2808600 -308.399 -235.836 -73.105 -235.836 -157.662 156.365 -73.1059 156.364 -296.212 GPRESSURE: 2808600 -298.116 -254.72 -35.6999 -212.118 -124.247 173.212 -24.4557 95.8621 -236.64 PRESSAVG: 2808600 -24.6003 -53.6156 21.2394 -53.6156 43.2469 57.2732 21.2394 57.2733 -31.275 GPRESSAVG: 2808600 -24.3055 -53.7131 19.4585 -52.1029 43.3523 56.3668 22.4851 59.1647 -32.0706 TIMING: 2808600 CPU: 8149.97, 0.00287056/step Wall: 8149.97, 0.00287056/step, 1.74738 hours remaining, 205.949219 MB of memory in use. ENERGY: 2808600 778.2387 2152.1209 1985.3660 116.0840 -206477.3847 17733.1350 0.0000 0.0000 34245.7714 -149466.6687 299.0768 -183712.4401 -149368.3364 298.2732 -254.0910 -219.6678 558811.8874 -4.2095 -4.3412 PRESSURE: 2808800 -90.9612 -39.5262 -21.5112 -39.5275 158.499 -127.305 -21.511 -127.304 -10.1254 GPRESSURE: 2808800 -42.761 -29.2895 21.8686 -48.3479 201.696 -119.529 -69.0546 -47.1355 -16.1133 PRESSAVG: 2808800 18.3774 -45.5436 27.9749 -45.5436 -9.77029 29.4407 27.975 29.4407 -26.7741 GPRESSAVG: 2808800 18.4737 -47.2399 30.5942 -44.2041 -9.67571 31.7878 27.3211 28.7667 -27.2234 TIMING: 2808800 CPU: 8150.55, 0.00290101/step Wall: 8150.55, 0.00290101/step, 1.76575 hours remaining, 205.949219 MB of memory in use. ENERGY: 2808800 753.5538 2161.4012 1933.4774 106.9346 -206447.1423 18048.7528 0.0000 0.0000 34005.6709 -149437.3516 296.9800 -183443.0225 -149341.5370 298.0797 19.1373 47.6072 558614.1737 -6.0556 -6.1418 PRESSURE: 2809000 227.41 88.2218 234.409 88.2224 -35.7664 -33.5713 234.409 -33.5714 -114.072 GPRESSURE: 2809000 188.743 71.0913 146.943 84.271 30.8711 -37.6645 265.322 -19.9039 -52.764 PRESSAVG: 2809000 0.590785 0.0964573 36.0071 0.0965159 -31.193 11.0902 36.0073 11.0902 37.1117 GPRESSAVG: 2809000 0.51831 0.0515387 33.4812 -0.558799 -32.5624 10.3752 37.2515 10.7298 38.827 TIMING: 2809000 CPU: 8151.13, 0.00287215/step Wall: 8151.13, 0.00287215/step, 1.74803 hours remaining, 205.949219 MB of memory in use. ENERGY: 2809000 741.0612 2064.0538 1949.0074 113.4915 -206287.1005 17841.2575 0.0000 0.0000 34226.2418 -149351.9871 298.9063 -183578.2289 -149261.7330 298.8289 25.8573 55.6168 557214.6858 2.1698 2.2610 PRESSURE: 2809200 99.1026 103.435 12.0993 103.435 -153.261 -33.9465 12.0974 -33.9472 165.641 GPRESSURE: 2809200 151.81 9.65215 -7.96058 69.016 -95.3133 -48.24 36.1204 13.3528 171.401 PRESSAVG: 2809200 0.503809 25.0757 -10.4352 25.0758 -7.28665 35.0569 -10.4352 35.0569 -4.12998 GPRESSAVG: 2809200 0.586102 25.2375 -9.60304 23.6565 -7.4525 34.7344 -11.0284 34.9806 -4.47735 TIMING: 2809200 CPU: 8151.7, 0.00285204/step Wall: 8151.7, 0.00285204/step, 1.73563 hours remaining, 205.949219 MB of memory in use. ENERGY: 2809200 757.2736 2053.6179 1968.9334 103.0796 -206561.1383 17992.4534 0.0000 0.0000 34474.4609 -149211.3194 301.0740 -183685.7803 -149103.5398 299.4840 37.1608 75.9657 557003.4091 -3.6376 -3.7813 PRESSURE: 2809400 -140.158 -138.183 -110.173 -138.183 -241.889 122.76 -110.172 122.762 22.3527 GPRESSURE: 2809400 -125.316 -138.756 -156.034 -198.689 -194.815 23.4991 -78.3083 123.558 54.7774 PRESSAVG: 2809400 8.3264 -20.1256 -40.9854 -20.1255 -8.35263 46.9657 -40.9854 46.9656 -57.3281 GPRESSAVG: 2809400 8.08718 -19.5935 -41.2405 -21.7521 -7.43616 46.7014 -39.9857 48.1658 -57.7516 TIMING: 2809400 CPU: 8152.27, 0.00286523/step Wall: 8152.27, 0.00286523/step, 1.74349 hours remaining, 205.949219 MB of memory in use. ENERGY: 2809400 766.7423 2088.2536 1965.1246 114.1099 -206160.0969 17678.8665 0.0000 0.0000 34176.6195 -149370.3805 298.4729 -183547.0000 -149266.2924 298.6582 -119.8983 -88.4514 558431.7680 -19.1181 -19.0335 PRESSURE: 2809600 7.68456 -41.8754 199.235 -41.8754 -184.503 65.176 199.234 65.1756 -25.1496 GPRESSURE: 2809600 77.3069 -25.0285 188.724 -43.3316 -166.233 79.1645 137.866 -31.7458 -7.61659 PRESSAVG: 2809600 74.6161 -35.7681 37.3392 -35.768 -27.5888 34.8584 37.3392 34.8583 -5.5791 GPRESSAVG: 2809600 74.0131 -33.3989 38.4927 -35.9905 -28.2647 34.682 35.323 32.2117 -4.37104 TIMING: 2809600 CPU: 8152.84, 0.00287174/step Wall: 8152.84, 0.00287174/step, 1.7473 hours remaining, 205.949219 MB of memory in use. ENERGY: 2809600 714.7101 2087.7694 1966.7194 114.4896 -206210.7132 17558.1130 0.0000 0.0000 34341.3882 -149427.5236 299.9119 -183768.9118 -149325.4077 299.1652 -67.3226 -32.1807 556681.0080 13.8161 13.7925 PRESSURE: 2809800 247.282 -48.9441 -157.426 -48.9436 -472.395 160.882 -157.427 160.881 33.5763 GPRESSURE: 2809800 230.576 -121.873 -76.1907 -78.7035 -436.757 152.078 -217.417 135.267 103.491 PRESSAVG: 2809800 131.267 -20.5893 4.64324 -20.5893 -25.5695 56.3399 4.64335 56.3401 -80.2563 GPRESSAVG: 2809800 131.047 -23.5657 4.88138 -17.7818 -24.6971 54.2761 3.06616 58.7446 -81.1747 TIMING: 2809800 CPU: 8153.42, 0.00286818/step Wall: 8153.42, 0.00286818/step, 1.74497 hours remaining, 205.949219 MB of memory in use. ENERGY: 2809800 755.5425 2088.7384 1962.8434 117.1119 -205995.4273 17556.5206 0.0000 0.0000 34348.2313 -149166.4392 299.9716 -183514.6705 -149069.7118 299.0913 -63.8455 -34.2301 556264.4801 8.4803 8.3919 PRESSURE: 2810000 65.5211 -4.95917 -30.6682 -4.9595 85.2943 103.658 -30.6688 103.659 -126.457 GPRESSURE: 2810000 124.063 -23.5898 -50.6836 0.0663404 104.148 183.229 10.6631 120.521 -118.356 PRESSAVG: 2810000 85.2857 3.39296 70.151 3.39305 -59.044 -2.12359 70.151 -2.12367 -44.7005 GPRESSAVG: 2810000 85.5417 5.89532 69.1633 1.29672 -60.2125 0.166451 71.4672 -2.8201 -44.1835 TIMING: 2810000 CPU: 8154, 0.0028918/step Wall: 8154, 0.0028918/step, 1.75918 hours remaining, 206.015625 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: 2810000 745.4689 2103.3700 1944.0398 117.1848 -206372.2790 17947.9447 0.0000 0.0000 34250.3921 -149263.8787 299.1172 -183514.2708 -149165.9719 299.1969 8.1196 36.6183 558844.8557 -6.1529 -6.2848 PRESSURE: 2810200 274.786 -7.3196 17.0119 -7.3188 60.4441 -17.5191 17.0115 -17.5179 270.441 GPRESSURE: 2810200 310.091 -53.1566 87.6603 -58.0726 103.714 -53.6551 29.7826 37.0617 288.504 PRESSAVG: 2810200 -40.6589 -22.7339 -14.1798 -22.7339 -5.87442 31.7524 -14.1799 31.7523 31.8016 GPRESSAVG: 2810200 -40.9113 -24.2069 -13.2765 -21.998 -4.55819 30.8614 -14.9444 32.5452 30.7681 TIMING: 2810200 CPU: 8154.57, 0.00287954/step Wall: 8154.57, 0.00287954/step, 1.75156 hours remaining, 206.015625 MB of memory in use. ENERGY: 2810200 734.1369 2124.7211 1970.9466 111.3807 -206543.7519 18100.7881 0.0000 0.0000 34212.0311 -149289.7473 298.7822 -183501.7784 -149194.2719 299.1549 201.8901 234.1031 558969.6736 -4.9106 -4.9005 PRESSURE: 2810400 -388.654 36.5669 47.6477 36.5664 16.2683 84.947 47.6485 84.9453 -84.2386 GPRESSURE: 2810400 -352.369 117.725 80.2654 89.5502 36.8454 134.283 59.5692 45.3899 -32.0628 PRESSAVG: 2810400 15.4577 33.2706 -28.3111 33.2704 -30.5881 45.2417 -28.3112 45.2417 10.2514 GPRESSAVG: 2810400 16.3732 33.5974 -29.574 33.5574 -31.2346 43.07 -26.1211 46.4223 10.7636 TIMING: 2810400 CPU: 8155.15, 0.00287966/step Wall: 8155.15, 0.00287966/step, 1.75147 hours remaining, 206.015625 MB of memory in use. ENERGY: 2810400 756.6115 2070.0544 1958.0250 116.9378 -205958.2567 17663.7823 0.0000 0.0000 34230.3086 -149162.5372 298.9418 -183392.8458 -149068.9310 299.6121 -152.2079 -115.8623 557721.4324 -1.6263 -1.3659 PRESSURE: 2810600 -38.587 -169.639 -12.0457 -169.639 36.8043 -27.9581 -12.0442 -27.9565 -214.157 GPRESSURE: 2810600 -2.01097 -165.267 66.0125 -76.3699 101.24 -21.8461 27.8649 41.6707 -212.251 PRESSAVG: 2810600 14.0111 -4.48021 39.7676 -4.48015 -26.0167 10.7987 39.7676 10.7988 70.0241 GPRESSAVG: 2810600 13.7913 -4.04387 40.1595 -4.41224 -26.337 15.4687 40.3572 8.60749 70.7821 TIMING: 2810600 CPU: 8155.73, 0.00289292/step Wall: 8155.73, 0.00289292/step, 1.75938 hours remaining, 206.015625 MB of memory in use. ENERGY: 2810600 763.4683 2076.9165 1983.8829 111.0124 -206426.8232 17916.9720 0.0000 0.0000 34408.1936 -149166.3775 300.4953 -183574.5711 -149068.9860 299.6106 -71.9798 -37.6738 556992.6634 19.3395 19.4121 PRESSURE: 2810800 -45.7683 136.622 63.6546 136.622 -180.923 -60.3793 63.6534 -60.3797 -156.955 GPRESSURE: 2810800 -70.875 96.7376 18.8943 97.076 -85.8601 -54.4566 71.3401 -173.287 -133.144 PRESSAVG: 2810800 40.0003 -43.7734 -16.3064 -43.7734 -94.4153 -32.8331 -16.3064 -32.833 26.8501 GPRESSAVG: 2810800 40.0425 -46.4903 -16.6053 -41.8065 -95.3114 -33.4955 -17.8726 -33.5869 27.192 TIMING: 2810800 CPU: 8156.3, 0.00288481/step Wall: 8156.3, 0.00288481/step, 1.75429 hours remaining, 206.214844 MB of memory in use. ENERGY: 2810800 748.1368 2146.2174 1966.2092 113.9036 -205639.4361 17545.0251 0.0000 0.0000 34053.8444 -149066.0996 297.4007 -183119.9440 -148970.1870 299.5877 -127.8819 -96.6265 559007.1654 -9.1883 -9.3590 PRESSURE: 2811000 -26.5073 -36.157 -83.7595 -36.1568 -43.1589 -52.052 -83.7584 -52.0522 -86.8874 GPRESSURE: 2811000 -23.0829 19.0824 -162.506 -19.1012 -24.9322 -61.9279 22.9655 -50.9986 -23.602 PRESSAVG: 2811000 -15.5909 -1.01429 4.21912 -1.01419 -32.697 -24.0267 4.21921 -24.0267 -4.27802 GPRESSAVG: 2811000 -16.5065 0.735784 5.16349 -3.36437 -30.7692 -25.5617 4.70356 -23.425 -4.98797 TIMING: 2811000 CPU: 8156.88, 0.00289783/step Wall: 8156.88, 0.00289783/step, 1.76204 hours remaining, 206.214844 MB of memory in use. ENERGY: 2811000 708.9564 2092.3163 1992.6894 107.7554 -205782.8682 17488.2112 0.0000 0.0000 34300.0676 -149092.8719 299.5510 -183392.9395 -149001.4050 299.2848 -52.1845 -23.8724 557266.4238 -17.5220 -17.4212 PRESSURE: 2811200 -107.439 2.418 -179.974 2.4194 -192.209 -29.4518 -179.974 -29.4522 61.6062 GPRESSURE: 2811200 -50.8471 88.1245 -149.966 -63.1009 -115.066 -30.3759 -176.969 57.0507 31.8857 PRESSAVG: 2811200 0.753885 38.699 -4.73043 38.6989 13.3227 -19.7244 -4.73031 -19.7243 26.977 GPRESSAVG: 2811200 1.41063 39.8317 -6.171 39.8754 12.7525 -21.1579 -4.81836 -16.6924 27.2407 TIMING: 2811200 CPU: 8157.46, 0.00287274/step Wall: 8157.46, 0.00287274/step, 1.74663 hours remaining, 206.214844 MB of memory in use. ENERGY: 2811200 740.4823 2080.8479 1953.3037 117.1976 -205806.1262 17533.4141 0.0000 0.0000 34201.5229 -149179.3577 298.6904 -183380.8806 -149069.5904 299.3859 -79.3475 -44.6759 556531.9905 13.6845 13.8013 PRESSURE: 2811400 21.8103 101.703 159.765 101.702 140.415 -63.3011 159.765 -63.2992 250.553 GPRESSURE: 2811400 53.5194 138.404 223.626 78.0302 194.744 -111.596 155.206 9.17552 255.639 PRESSAVG: 2811400 -28.4718 -47.3693 70.4657 -47.3694 31.7977 -11.4309 70.4658 -11.4308 15.0897 GPRESSAVG: 2811400 -27.6762 -46.9741 71.928 -46.9629 31.1147 -11.6394 70.9161 -11.7479 14.4582 TIMING: 2811400 CPU: 8158.03, 0.00287058/step Wall: 8158.03, 0.00287058/step, 1.74515 hours remaining, 206.214844 MB of memory in use. ENERGY: 2811400 742.7875 2019.9274 1939.7661 108.7843 -206720.6293 18393.1744 0.0000 0.0000 34419.0994 -149097.0901 300.5906 -183516.1895 -148997.6994 300.1196 137.5929 167.9675 557516.7179 6.1385 5.9656 PRESSURE: 2811600 -5.76437 -153.979 42.9544 -153.978 -79.5867 -96.7495 42.9544 -96.7493 63.8975 GPRESSURE: 2811600 41.0774 -270.931 47.7117 -143.636 -20.1857 -152.075 18.7878 -42.4373 49.6594 PRESSAVG: 2811600 -0.0848663 -42.6702 -13.989 -42.6701 -9.02253 58.5051 -13.9891 58.5051 29.607 GPRESSAVG: 2811600 -0.313556 -42.4508 -15.454 -43.8297 -8.23237 61.9361 -12.3226 55.393 29.1797 TIMING: 2811600 CPU: 8158.6, 0.00286128/step Wall: 8158.6, 0.00286128/step, 1.73934 hours remaining, 206.214844 MB of memory in use. ENERGY: 2811600 762.3631 2064.4384 1955.7639 107.8466 -205987.7640 17870.0800 0.0000 0.0000 34373.4016 -148853.8704 300.1915 -183227.2720 -148758.6692 299.4367 -7.1512 23.5170 558610.5996 6.8332 6.8779 PRESSURE: 2811800 225.195 -195.28 -133.977 -195.281 204.784 122.181 -133.976 122.181 164.74 GPRESSURE: 2811800 261.505 -170.168 -171.534 -82.9131 275.625 141.453 -60.9207 67.8344 168.109 PRESSAVG: 2811800 58.9283 -27.5876 33.3006 -27.5875 -12.8609 1.85463 33.3007 1.85471 -24.9043 GPRESSAVG: 2811800 59.57 -28.8342 33.3442 -26.1861 -12.7471 1.73722 30.2094 2.97227 -25.1733 TIMING: 2811800 CPU: 8159.18, 0.00286667/step Wall: 8159.18, 0.00286667/step, 1.74245 hours remaining, 206.214844 MB of memory in use. ENERGY: 2811800 765.3405 2097.8842 1961.8284 121.4814 -206407.7708 18143.1252 0.0000 0.0000 34386.3076 -148931.8035 300.3042 -183318.1111 -148836.5723 299.9769 198.2398 235.0795 557668.6948 7.0543 7.2166 PRESSURE: 2812000 -162.935 -50.1791 -75.8672 -50.1789 -241.155 53.8003 -75.8675 53.8012 -70.8281 GPRESSURE: 2812000 -76.389 17.946 -65.7074 0.0641008 -252.38 38.7304 -121.144 52.7407 -48.231 PRESSAVG: 2812000 85.0811 -7.179 -1.68875 -7.17896 27.2628 16.3923 -1.68883 16.3923 -95.7647 GPRESSAVG: 2812000 83.9311 -5.64617 -1.15271 -7.1745 27.5685 17.1862 0.761441 16.1198 -95.0987 TIMING: 2812000 CPU: 8159.75, 0.00285673/step Wall: 8159.75, 0.00285673/step, 1.73626 hours remaining, 206.214844 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: 2812000 744.5877 2062.0694 1965.0781 114.2696 -205692.3573 17545.7858 0.0000 0.0000 34302.8058 -148957.7609 299.5749 -183260.5667 -148865.0250 300.1538 -158.3060 -125.6667 559481.5828 5.5264 5.4670 PRESSURE: 2812200 202.057 -70.6919 110.613 -70.6927 -103.831 45.0869 110.613 45.088 335.82 GPRESSURE: 2812200 201.716 -60.0049 81.4026 -69.0414 -9.32955 13.9367 179.976 46.9331 339.001 PRESSAVG: 2812200 -7.84188 11.8733 24.4347 11.8733 38.6217 30.7152 24.4347 30.7152 -14.9822 GPRESSAVG: 2812200 -7.14853 11.2993 24.361 10.4281 39.4981 28.2121 24.617 31.785 -16.091 TIMING: 2812200 CPU: 8160.32, 0.00287476/step Wall: 8160.32, 0.00287476/step, 1.74706 hours remaining, 206.214844 MB of memory in use. ENERGY: 2812200 754.4179 2099.7470 1935.7951 121.9900 -206277.1623 18064.4301 0.0000 0.0000 34294.8100 -149005.9721 299.5051 -183300.7822 -148911.6581 299.5957 144.6822 177.1289 557672.3952 5.2659 5.4195 LDB: ============= START OF LOAD BALANCING ============== 8163.79 LDB: ============== END OF LOAD BALANCING =============== 8163.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.79 LDB: ============= START OF LOAD BALANCING ============== 8164.08 LDB: Largest compute 4821 load 0.030858 is 26.2% of average load 0.117746 LDB: Average compute 0.001725 is 1.5% of average load 0.117746 LDB: TIME 8164.08 LOAD: AVG 0.117746 MAX 0.177357 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.621 MB LDB: TIME 8164.08 LOAD: AVG 0.117746 MAX 0.177357 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.828 MB LDB: TIME 8164.08 LOAD: AVG 0.117746 MAX 0.177357 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.828 MB LDB: ============== END OF LOAD BALANCING =============== 8164.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8164.09 PRESSURE: 2812400 42.0374 59.164 -136.115 59.1641 -196.773 -12.3856 -136.115 -12.3857 36.2278 GPRESSURE: 2812400 89.5226 103.368 -136.878 51.5293 -139.917 -53.1917 -126.701 43.5132 29.9755 PRESSAVG: 2812400 -40.5889 21.1565 6.00341 21.1565 -16.3319 34.0695 6.00353 34.0696 26.6724 GPRESSAVG: 2812400 -38.7271 21.4588 4.72691 20.4104 -18.2306 35.1824 6.54313 35.7658 26.9584 TIMING: 2812400 CPU: 8160.91, 0.00294994/step Wall: 8160.91, 0.00294994/step, 1.79258 hours remaining, 205.511719 MB of memory in use. ENERGY: 2812400 744.4623 2087.6937 1965.6527 104.1779 -205959.3200 17699.4825 0.0000 0.0000 34397.6169 -148960.2339 300.4029 -183357.8508 -148859.9950 300.2035 -39.5025 -6.8063 557889.3397 -10.0828 -9.9997 PRESSURE: 2812600 1.69459 -60.2566 16.1504 -60.2554 -40.0871 -149.933 16.1494 -149.931 -273.233 GPRESSURE: 2812600 53.9162 -5.9611 -88.4156 -13.0168 -37.2669 -175.658 64.8629 -185.972 -238.283 PRESSAVG: 2812600 -42.6267 19.739 -18.2532 19.739 15.4492 88.2036 -18.2532 88.2036 37.9688 GPRESSAVG: 2812600 -42.6711 17.9056 -16.375 21.9836 15.9943 88.3724 -21.1331 84.9093 38.2251 TIMING: 2812600 CPU: 8161.49, 0.00287924/step Wall: 8161.49, 0.00287924/step, 1.74946 hours remaining, 205.511719 MB of memory in use. ENERGY: 2812600 741.2151 2079.7199 1955.2770 117.3197 -205878.2336 17655.7672 0.0000 0.0000 34288.2499 -149040.6847 299.4478 -183328.9347 -148942.6167 299.8796 -103.8752 -73.8779 558906.7640 3.5971 3.8494 PRESSURE: 2812800 104.724 -5.71541 52.9386 -5.71581 185.597 33.1828 52.9393 33.1826 -126.187 GPRESSURE: 2812800 98.831 1.62213 41.1942 20.651 230.504 90.2251 26.1508 -4.51919 -67.7981 PRESSAVG: 2812800 -47.0434 12.1639 14.6506 12.1639 67.4224 29.1359 14.6506 29.1359 17.3675 GPRESSAVG: 2812800 -46.6619 13.5595 13.7566 10.2479 67.5121 30.3198 17.7516 29.9264 17.0762 TIMING: 2812800 CPU: 8162.07, 0.00288224/step Wall: 8162.07, 0.00288224/step, 1.75112 hours remaining, 205.511719 MB of memory in use. ENERGY: 2812800 717.2337 2094.2759 1934.9022 118.3642 -206436.7638 17973.8397 0.0000 0.0000 34440.1869 -149157.9613 300.7747 -183598.1482 -149060.8818 299.2684 54.7113 87.1791 557565.6018 12.5822 12.6421 PRESSURE: 2813000 -35.2442 18.9059 48.0625 18.9055 26.6593 1.83861 48.0626 1.83718 21.0959 GPRESSURE: 2813000 -16.0644 130.546 104.396 13.4033 80.6615 -25.2041 21.4379 -22.9186 51.9504 PRESSAVG: 2813000 -28.49 1.97786 -18.9681 1.97793 1.74597 -26.95 -18.9681 -26.9501 79.4 GPRESSAVG: 2813000 -30.8889 4.40297 -18.6207 1.61096 1.65084 -28.3977 -19.7406 -28.1952 81.352 TIMING: 2813000 CPU: 8162.64, 0.0028676/step Wall: 8162.64, 0.0028676/step, 1.74207 hours remaining, 205.511719 MB of memory in use. ENERGY: 2813000 748.2472 2067.8022 1956.6819 131.1841 -206166.3523 17858.2826 0.0000 0.0000 34329.6393 -149074.5150 299.8093 -183404.1543 -148985.6153 298.8543 4.1703 38.8492 558205.7914 17.5520 17.3713 PRESSURE: 2813200 68.4885 149.775 85.7025 149.775 183.759 -86.6874 85.7016 -86.6883 -82.4397 GPRESSURE: 2813200 29.8563 83.6433 81.3533 127.546 249.699 -47.0814 20.3105 -68.1576 -12.3477 PRESSAVG: 2813200 7.02454 25.1413 -35.2293 25.1413 -6.78656 -4.65421 -35.2292 -4.65427 -9.71504 GPRESSAVG: 2813200 8.02981 22.6191 -37.3631 24.9482 -7.15633 -5.42917 -34.092 -3.62498 -9.78869 TIMING: 2813200 CPU: 8163.21, 0.00287025/step Wall: 8163.21, 0.00287025/step, 1.74352 hours remaining, 205.511719 MB of memory in use. ENERGY: 2813200 730.4826 2067.7629 1958.7405 114.6150 -206083.8002 17784.6630 0.0000 0.0000 34426.2665 -149001.2695 300.6531 -183427.5360 -148907.5670 299.3819 56.6025 89.0691 557135.7317 -3.1590 -2.9717 PRESSURE: 2813400 -134.747 50.4283 46.039 50.4271 53.7675 61.1478 46.0394 61.1483 -118.167 GPRESSURE: 2813400 -159.528 -7.66041 70.8058 -44.1533 96.1438 83.6885 -23.0272 78.4612 -37.5149 PRESSAVG: 2813400 -2.78221 -0.0577573 -16.3281 -0.0578553 -21.2858 9.30773 -16.3282 9.30782 42.1876 GPRESSAVG: 2813400 -3.00793 -0.0901321 -15.708 -0.681562 -21.0475 10.0711 -16.0905 7.92971 41.8915 TIMING: 2813400 CPU: 8163.79, 0.00288473/step Wall: 8163.79, 0.00288473/step, 1.75215 hours remaining, 205.511719 MB of memory in use. ENERGY: 2813400 716.0208 2146.8931 1953.6931 117.4507 -205791.3459 17543.3023 0.0000 0.0000 34300.3980 -149013.5878 299.5539 -183313.9859 -148922.7471 300.2487 -66.3822 -33.6330 556383.6274 6.0399 5.9453 PRESSURE: 2813600 -10.5043 -98.4478 53.9961 -98.4488 377.537 -37.1263 53.9951 -37.1262 165.592 GPRESSURE: 2813600 67.2456 -127.433 116.616 -49.6759 408.57 -55.391 46.2596 -34.4917 164.033 PRESSAVG: 2813600 15.7155 -9.52598 18.153 -9.52601 -29.4968 31.1404 18.1529 31.1405 9.29771 GPRESSAVG: 2813600 15.3777 -9.67263 18.4491 -8.60207 -28.9349 30.4712 15.4603 31.9634 9.25238 TIMING: 2813600 CPU: 8164.37, 0.00287788/step Wall: 8164.37, 0.00287788/step, 1.74783 hours remaining, 205.511719 MB of memory in use. ENERGY: 2813600 740.9315 2046.5358 1981.5525 115.9919 -206119.3670 17852.2376 0.0000 0.0000 34251.9047 -149130.2131 299.1304 -183382.1178 -149030.0397 299.5121 177.5415 213.2830 555701.7892 -1.4945 -1.4349 PRESSURE: 2813800 143.043 150.951 121.553 150.95 31.8846 -157.152 121.554 -157.154 189.331 GPRESSURE: 2813800 203.315 168.914 124.411 104.222 83.4159 -101.592 129.122 -199.124 156.215 PRESSAVG: 2813800 24.2403 4.72173 -1.70673 4.72172 21.6996 -7.75387 -1.70671 -7.7538 -6.16432 GPRESSAVG: 2813800 25.7235 4.62863 0.951473 3.89984 21.5953 -6.76619 -0.816473 -6.80045 -7.36302 TIMING: 2813800 CPU: 8164.95, 0.00289919/step Wall: 8164.95, 0.00289919/step, 1.76061 hours remaining, 205.578125 MB of memory in use. ENERGY: 2813800 733.0259 2088.3662 1986.9353 112.0716 -205758.9587 17636.2182 0.0000 0.0000 34147.2852 -149055.0563 298.2167 -183202.3415 -148965.1250 299.5373 121.4195 147.6485 556074.2758 13.2585 13.3186 PRESSURE: 2814000 -35.7157 -66.2956 -9.62999 -66.2951 82.5773 -16.0637 -9.62954 -16.0624 -83.5332 GPRESSURE: 2814000 -32.4306 -37.4306 -61.1925 -69.4235 150.72 -38.0517 -72.7868 -52.0434 -41.7464 PRESSAVG: 2814000 33.9012 -26.782 6.1163 -26.782 28.3835 -30.7061 6.11628 -30.706 -43.8941 GPRESSAVG: 2814000 33.5141 -26.0046 4.47414 -26.1575 27.7376 -32.1715 5.86399 -32.0647 -43.2887 TIMING: 2814000 CPU: 8165.52, 0.00287992/step Wall: 8165.52, 0.00287992/step, 1.74875 hours remaining, 205.578125 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: 2814000 764.5044 2052.8667 1968.5537 117.5249 -206525.6856 17869.2365 0.0000 0.0000 34465.4938 -149287.5056 300.9957 -183752.9994 -149189.6654 299.4200 -12.2239 25.5145 557139.1179 6.1302 5.9877 PRESSURE: 2814200 -330.88 23.7438 107.019 23.7446 -376.826 16.1737 107.018 16.1756 -218.128 GPRESSURE: 2814200 -267.416 -55.0795 151.222 38.1115 -379.675 -7.13539 77.5866 55.9467 -177.545 PRESSAVG: 2814200 41.291 -4.14177 69.0489 -4.14183 -18.908 -28.7805 69.0489 -28.7805 -14.2266 GPRESSAVG: 2814200 39.4782 -5.67149 69.7227 -1.6805 -17.7716 -27.2888 71.9282 -28.6604 -13.7309 TIMING: 2814200 CPU: 8166.1, 0.00288716/step Wall: 8166.1, 0.00288716/step, 1.75298 hours remaining, 205.578125 MB of memory in use. ENERGY: 2814200 781.5933 2113.5758 1943.3592 118.5589 -206126.5175 17486.7374 0.0000 0.0000 34628.3526 -149054.3402 302.4180 -183682.6928 -148955.6895 300.3135 -308.6115 -274.8787 557094.0752 2.7188 2.6586 PRESSURE: 2814400 50.7051 -10.9692 136.585 -10.9692 -183.603 -68.9998 136.585 -69.0001 31.8273 GPRESSURE: 2814400 109.699 -9.34215 82.9224 -4.04938 -158.829 -19.2655 150.891 -117.344 41.2065 PRESSAVG: 2814400 -39.7785 -2.07366 -13.112 -2.07362 40.4756 -15.4144 -13.1121 -15.4144 61.8289 GPRESSAVG: 2814400 -39.3394 -2.9388 -14.0384 -2.92066 39.8034 -13.9214 -14.8428 -16.0519 62.1472 TIMING: 2814400 CPU: 8166.67, 0.00287354/step Wall: 8166.67, 0.00287354/step, 1.74456 hours remaining, 205.578125 MB of memory in use. ENERGY: 2814400 782.9139 2100.7135 1952.6970 116.4458 -206334.7217 17911.4933 0.0000 0.0000 34363.5827 -149106.8756 300.1057 -183470.4583 -149003.8158 299.6190 -33.6903 -2.6414 558346.6236 20.8420 20.8704 PRESSURE: 2814600 -125.528 -73.7552 24.5905 -73.7558 209.837 -30.0839 24.5912 -30.0849 16.8824 GPRESSURE: 2814600 -115.441 -76.4286 -9.17849 -21.6278 275.347 -124.67 122.88 69.7616 38.3548 PRESSAVG: 2814600 -82.2349 -61.4602 5.00866 -61.4603 82.6661 -29.2567 5.0086 -29.2568 1.83654 GPRESSAVG: 2814600 -81.3993 -60.1818 3.91007 -63.0637 83.1073 -31.2227 6.29306 -27.1628 0.617629 TIMING: 2814600 CPU: 8167.25, 0.0028799/step Wall: 8167.25, 0.0028799/step, 1.74826 hours remaining, 205.578125 MB of memory in use. ENERGY: 2814600 796.1692 2082.0304 1956.6085 123.0963 -206337.9116 17987.0167 0.0000 0.0000 34242.0007 -149150.9898 299.0439 -183392.9905 -149057.8820 300.0317 33.7303 66.0869 556708.3710 0.7559 0.7752 PRESSURE: 2814800 -419.466 10.643 92.0592 10.6424 -28.2564 -50.1432 92.0587 -50.1437 -237.259 GPRESSURE: 2814800 -351.416 93.4442 92.7986 -79.2599 -13.5775 -95.2361 51.1652 62.4521 -214.516 PRESSAVG: 2814800 -45.8325 -23.9977 -28.0525 -23.9977 -38.6946 -27.1653 -28.0525 -27.1653 65.8258 GPRESSAVG: 2814800 -47.0385 -22.7184 -26.7714 -24.4484 -39.3344 -26.2573 -30.0338 -26.4846 67.446 TIMING: 2814800 CPU: 8167.83, 0.0028808/step Wall: 8167.83, 0.0028808/step, 1.74865 hours remaining, 205.578125 MB of memory in use. ENERGY: 2814800 783.3378 2102.4215 1959.0136 121.5517 -206247.7806 17721.1675 0.0000 0.0000 34305.8725 -149254.4159 299.6017 -183560.2884 -149162.3117 298.6093 -228.3272 -193.1697 557241.2552 -6.2338 -6.3090 PRESSURE: 2815000 35.4223 -68.4781 -65.6354 -68.4778 345.591 -29.7916 -65.6363 -29.7918 -14.0717 GPRESSURE: 2815000 102.475 -41.0957 -111.271 -57.9052 332.348 -91.3472 -54.9065 -25.9276 34.7106 PRESSAVG: 2815000 -23.7122 -14.4958 5.21415 -14.4958 25.0973 -16.4896 5.21427 -16.4895 16.0701 GPRESSAVG: 2815000 -21.9755 -16.2045 7.28104 -13.6186 23.8051 -16.5847 5.22463 -16.7102 16.1094 TIMING: 2815000 CPU: 8168.4, 0.00288038/step Wall: 8168.4, 0.00288038/step, 1.74823 hours remaining, 205.578125 MB of memory in use. ENERGY: 2815000 746.3204 2061.1752 1950.6935 114.0013 -206211.5794 17827.3138 0.0000 0.0000 34391.7300 -149120.3450 300.3515 -183512.0751 -149027.2372 299.0929 122.3140 156.5112 556774.5350 5.8184 5.9796 PRESSURE: 2815200 -300.093 86.3532 -311.919 86.3518 -35.8668 -71.7669 -311.919 -71.7683 -250.958 GPRESSURE: 2815200 -254.101 53.8014 -338.045 55.2853 -38.4466 -43.3421 -243.245 -45.5986 -215.006 PRESSAVG: 2815200 -49.9408 16.3454 5.71817 16.3454 23.2127 -46.9928 5.71817 -46.9928 21.3062 GPRESSAVG: 2815200 -50.4932 16.3308 3.90984 18.0192 24.6414 -44.8333 7.98681 -48.9222 20.1718 TIMING: 2815200 CPU: 8168.98, 0.00287725/step Wall: 8168.98, 0.00287726/step, 1.74617 hours remaining, 205.777344 MB of memory in use. ENERGY: 2815200 731.7085 2072.5912 1949.0310 118.3460 -205888.4242 17684.6774 0.0000 0.0000 34177.2724 -149154.7976 298.4786 -183332.0700 -149063.4986 298.7491 -195.6391 -169.1846 557492.2310 -1.8073 -1.8933 PRESSURE: 2815400 121.189 -73.416 -222.825 -73.4163 -14.5461 -173.81 -222.825 -173.808 58.0354 GPRESSURE: 2815400 137.052 -36.1741 -183.044 -81.0959 57.7792 -155.923 -162.162 -118.654 65.1807 PRESSAVG: 2815400 43.95 39.6791 -77.0001 39.6792 -20.4581 -48.2678 -77.0002 -48.2679 -31.0958 GPRESSAVG: 2815400 43.581 40.1494 -77.0638 38.6146 -21.089 -49.802 -76.9427 -48.5745 -30.2277 TIMING: 2815400 CPU: 8169.56, 0.00288623/step Wall: 8169.56, 0.00288623/step, 1.75146 hours remaining, 205.777344 MB of memory in use. ENERGY: 2815400 735.5263 2027.7019 1982.7590 118.8575 -206265.8050 18064.6079 0.0000 0.0000 34060.0446 -149276.3078 297.4548 -183336.3524 -149184.6479 299.0224 54.8928 86.6707 557757.3944 -2.5346 -2.5786 PRESSURE: 2815600 -148.203 98.2878 9.02126 98.2874 -248.739 53.1753 9.02109 53.1766 149.448 GPRESSURE: 2815600 -141.041 5.98729 11.0728 150.707 -226.756 103.585 -34.9048 55.8173 214.199 PRESSAVG: 2815600 54.1555 49.9729 -3.08731 49.9728 -69.5945 17.9156 -3.08732 17.9156 -28.949 GPRESSAVG: 2815600 54.8601 50.0171 -2.96749 51.3608 -69.8026 16.9947 -4.42804 19.8371 -29.5115 TIMING: 2815600 CPU: 8170.13, 0.0028781/step Wall: 8170.13, 0.0028781/step, 1.74637 hours remaining, 205.777344 MB of memory in use. ENERGY: 2815600 719.9169 2072.2775 1960.7384 105.8563 -205891.7565 17669.8533 0.0000 0.0000 34140.6957 -149222.4184 298.1592 -183363.1141 -149131.2528 298.8685 -82.4980 -51.1993 558716.6380 -14.7960 -14.8180 PRESSURE: 2815800 -98.5351 72.5251 11.8725 72.5248 -312.453 -32.1557 11.8727 -32.1542 67.8376 GPRESSURE: 2815800 -87.9545 54.7851 58.0938 36.8333 -243.3 -8.21896 62.6795 -55.9605 81.6821 PRESSAVG: 2815800 3.03767 29.7568 -54.0094 29.7567 -84.8183 -10.0196 -54.0093 -10.0197 51.2826 GPRESSAVG: 2815800 2.55176 30.9117 -54.0647 27.3176 -85.0563 -9.41212 -54.4454 -11.4093 51.6764 TIMING: 2815800 CPU: 8170.7, 0.00286567/step Wall: 8170.7, 0.00286567/step, 1.73867 hours remaining, 205.777344 MB of memory in use. ENERGY: 2815800 726.0485 2055.4896 1946.3281 117.6563 -205735.9476 17635.8054 0.0000 0.0000 34181.0522 -149073.5677 298.5116 -183254.6198 -148978.3368 299.1741 -114.3835 -83.1908 558913.2491 -10.1660 -10.2760 PRESSURE: 2816000 -98.872 172.798 -63.0515 172.798 82.9183 -153.225 -63.0515 -153.225 161.804 GPRESSURE: 2816000 -88.3222 229.433 -6.98582 152.577 129.436 -143.796 -133.471 -182.905 213.141 PRESSAVG: 2816000 -30.775 26.188 -50.3633 26.188 -52.1074 -1.78085 -50.3633 -1.78084 59.2391 GPRESSAVG: 2816000 -32.1705 24.9932 -50.3822 26.4538 -50.8679 -2.8118 -48.6521 -0.761805 59.456 TIMING: 2816000 CPU: 8171.28, 0.0028738/step Wall: 8171.28, 0.0028738/step, 1.74344 hours remaining, 205.777344 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: 2816000 739.0994 2011.9207 1971.3670 134.2577 -205933.9722 17809.1067 0.0000 0.0000 34285.6985 -148982.5221 299.4255 -183268.2207 -148889.0757 300.0767 48.6168 84.7516 558097.6313 -7.8811 -7.8608 PRESSURE: 2816200 -50.4112 99.8506 171.373 99.8509 -16.7494 95.9024 171.375 95.9027 -109.87 GPRESSURE: 2816200 -65.5007 111.897 170.09 87.1377 12.1678 91.2336 187.432 67.8503 -32.8326 PRESSAVG: 2816200 14.0164 69.4483 34.7607 69.4484 8.18807 -3.20006 34.7607 -3.20006 8.32931 GPRESSAVG: 2816200 15.8941 70.0988 34.9581 69.4476 7.65168 -0.252874 33.7005 -4.63277 6.85517 TIMING: 2816200 CPU: 8171.86, 0.00288293/step Wall: 8171.86, 0.00288292/step, 1.74881 hours remaining, 205.777344 MB of memory in use. ENERGY: 2816200 726.6109 2126.8565 1958.8883 126.8347 -205955.0597 17765.2578 0.0000 0.0000 34498.2225 -148752.3891 301.2816 -183250.6116 -148651.7362 299.5291 -59.0103 -28.7218 559425.2188 10.1779 10.1336 LDB: ============= START OF LOAD BALANCING ============== 8175.32 LDB: ============== END OF LOAD BALANCING =============== 8175.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8175.32 LDB: ============= START OF LOAD BALANCING ============== 8175.61 LDB: Largest compute 4821 load 0.030520 is 25.9% of average load 0.117766 LDB: Average compute 0.001721 is 1.5% of average load 0.117766 LDB: TIME 8175.61 LOAD: AVG 0.117766 MAX 0.179126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 8175.61 LOAD: AVG 0.117766 MAX 0.179126 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: TIME 8175.61 LOAD: AVG 0.117766 MAX 0.179126 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8175.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8175.62 PRESSURE: 2816400 129.139 -57.5065 -74.9285 -57.507 307.744 172.373 -74.9283 172.373 -40.6527 GPRESSURE: 2816400 218.387 10.6124 29.617 -126.423 252.883 95.9871 -88.9244 170.768 22.5258 PRESSAVG: 2816400 -29.3181 6.31833 23.2062 6.31835 33.8244 -34.8709 23.2063 -34.8709 -14.2974 GPRESSAVG: 2816400 -30.2236 8.05608 24.1684 5.29483 33.5636 -36.1944 22.7674 -34.4377 -13.1628 TIMING: 2816400 CPU: 8172.45, 0.00295085/step Wall: 8172.45, 0.00295085/step, 1.78985 hours remaining, 207.417969 MB of memory in use. ENERGY: 2816400 743.2980 2047.8444 1979.3613 122.5372 -206179.9905 18131.2288 0.0000 0.0000 34362.5811 -148793.1396 300.0970 -183155.7207 -148696.1612 301.1932 132.0770 164.5988 558261.1769 -3.2637 -3.2743 PRESSURE: 2816600 208.377 44.8533 136.772 44.8533 13.0877 81.3255 136.772 81.3266 40.7162 GPRESSURE: 2816600 223.031 94.9708 106.815 27.2702 11.6296 32.0304 95.3443 86.007 118.065 PRESSAVG: 2816600 75.2737 5.90143 26.5675 5.90139 -61.5724 3.67195 26.5676 3.6719 -17.6199 GPRESSAVG: 2816600 75.7647 3.16548 28.0897 8.95801 -62.7948 3.82271 24.4473 3.89139 -16.834 TIMING: 2816600 CPU: 8173.03, 0.00289879/step Wall: 8173.03, 0.00289879/step, 1.75812 hours remaining, 207.621094 MB of memory in use. ENERGY: 2816600 738.1930 2087.7718 1949.4631 116.0206 -205924.6596 17974.9111 0.0000 0.0000 34208.5685 -148849.7316 298.7519 -183058.3001 -148756.6477 299.7994 87.3935 117.5753 559213.1562 -1.3062 -1.2880 PRESSURE: 2816800 45.2117 102.569 -116.215 102.567 42.8814 29.7572 -116.215 29.7556 298.436 GPRESSURE: 2816800 81.8842 165.42 -101.471 -4.78428 108.738 137.399 -73.8536 1.74111 305.954 PRESSAVG: 2816800 -21.2505 -5.00573 2.13547 -5.00576 -35.72 -25.428 2.13542 -25.428 22.4657 GPRESSAVG: 2816800 -20.9332 -3.89881 -0.561622 -6.89505 -34.8013 -26.3925 3.93107 -24.3123 21.1553 TIMING: 2816800 CPU: 8173.61, 0.00290296/step Wall: 8173.61, 0.00290296/step, 1.76049 hours remaining, 207.621094 MB of memory in use. ENERGY: 2816800 730.6673 2113.1281 1961.9280 116.5664 -206262.7853 18054.3044 0.0000 0.0000 34314.3382 -148971.8529 299.6756 -183286.1911 -148877.0821 299.6109 128.8430 165.5254 559619.0874 -11.5016 -11.5264 PRESSURE: 2817000 -302.39 54.3832 204.678 54.3847 -192.253 -42.1989 204.679 -42.1996 -27.7168 GPRESSURE: 2817000 -273.809 91.4749 170.917 113.95 -134.01 -83.0638 243.482 -37.2866 -11.965 PRESSAVG: 2817000 -17.0729 -1.86393 -21.961 -1.86398 29.2491 -52.9383 -21.9609 -52.9383 22.9014 GPRESSAVG: 2817000 -17.4772 -1.03293 -19.3623 -0.842014 28.1313 -50.0882 -22.4983 -53.8322 24.5541 TIMING: 2817000 CPU: 8174.19, 0.00289781/step Wall: 8174.19, 0.00289781/step, 1.7572 hours remaining, 207.621094 MB of memory in use. ENERGY: 2817000 787.4114 2099.1896 1979.7657 102.0559 -205838.0029 17568.8387 0.0000 0.0000 34403.4717 -148897.2700 300.4541 -183300.7417 -148792.7913 299.1090 -174.1199 -139.9281 559455.8043 11.6925 11.7361 PRESSURE: 2817200 331.778 18.3593 -104.96 18.3586 -66.7849 -141.709 -104.959 -141.708 124.023 GPRESSURE: 2817200 372.613 -56.5911 -113.496 27.7295 -32.9971 -89.2537 -81.0692 -114.617 141.855 PRESSAVG: 2817200 22.1657 -38.6749 -59.3726 -38.6749 -26.2443 -50.3562 -59.3727 -50.3562 -34.8454 GPRESSAVG: 2817200 23.2597 -38.1599 -59.6968 -39.7658 -25.3092 -53.299 -58.9764 -49.7889 -36.683 TIMING: 2817200 CPU: 8174.76, 0.00289483/step Wall: 8174.76, 0.00289483/step, 1.75523 hours remaining, 207.621094 MB of memory in use. ENERGY: 2817200 735.0631 2077.7758 1962.8075 111.8348 -206082.1430 18057.9254 0.0000 0.0000 34190.6890 -148946.0474 298.5958 -183136.7364 -148853.2742 299.9031 129.6720 160.4902 558625.7575 -12.9746 -12.9109 PRESSURE: 2817400 111.055 -78.553 -180.304 -78.5527 -156.984 -42.2085 -180.302 -42.2081 -113.026 GPRESSURE: 2817400 155.861 -55.2921 -98.9428 -152.258 -113.791 -98.5545 -200.246 -6.6035 -92.0235 PRESSAVG: 2817400 48.3836 -14.3763 17.4899 -14.3764 -73.5464 -10.4723 17.49 -10.4723 49.8985 GPRESSAVG: 2817400 48.408 -14.7147 15.922 -13.4644 -73.9712 -9.32947 17.2461 -9.04906 50.4173 TIMING: 2817400 CPU: 8175.35, 0.00290667/step Wall: 8175.35, 0.00290667/step, 1.76225 hours remaining, 207.621094 MB of memory in use. ENERGY: 2817400 735.7924 2079.7532 1967.8197 114.3049 -206051.8201 17880.5772 0.0000 0.0000 34207.4444 -149066.1283 298.7421 -183273.5727 -148976.4540 299.4637 -52.9849 -16.6510 559254.9477 8.2452 8.2847 PRESSURE: 2817600 -324.296 95.5007 -37.9879 95.502 -290.376 -129.36 -37.9887 -129.358 -245.195 GPRESSURE: 2817600 -267.228 51.8619 16.7807 79.9373 -291.098 -17.2323 -78.409 -157.382 -198.164 PRESSAVG: 2817600 20.9127 -18.7987 11.8286 -18.7987 -105.367 1.6655 11.8286 1.66552 55.4561 GPRESSAVG: 2817600 20.2025 -18.7301 8.07889 -20.2026 -105.086 2.55095 13.9838 -0.483568 56.317 TIMING: 2817600 CPU: 8175.92, 0.00289331/step Wall: 8175.92, 0.00289331/step, 1.75399 hours remaining, 207.621094 MB of memory in use. ENERGY: 2817600 748.0700 2096.0119 1987.2261 119.0950 -205755.2376 17424.2041 0.0000 0.0000 34278.5090 -149102.1214 299.3627 -183380.6304 -149007.5728 299.5341 -286.6223 -252.1634 557804.8430 -9.6659 -9.5224 PRESSURE: 2817800 320.294 67.5231 28.8589 67.5228 17.9194 47.8095 28.8587 47.8081 267.421 GPRESSURE: 2817800 369.375 89.0581 61.2311 -20.1403 54.8253 116.598 3.65111 44.6689 271.296 PRESSAVG: 2817800 -20.6715 -5.52216 48.0681 -5.5222 -43.3131 0.794895 48.0682 0.794939 -8.08742 GPRESSAVG: 2817800 -18.5486 -9.55902 51.4203 -2.81488 -43.5568 0.800101 46.1033 0.00795183 -9.75537 TIMING: 2817800 CPU: 8176.5, 0.00288156/step Wall: 8176.5, 0.00288156/step, 1.74671 hours remaining, 207.621094 MB of memory in use. ENERGY: 2817800 723.8236 2048.4149 1955.8189 119.4749 -206510.0097 18020.9452 0.0000 0.0000 34318.2203 -149323.3119 299.7096 -183641.5323 -149228.1708 299.6996 201.8782 231.8322 556091.8641 -24.0240 -23.9536 PRESSURE: 2818000 -196.593 -23.0434 65.1618 -23.0439 -39.5687 -68.1418 65.1621 -68.1424 -107.701 GPRESSURE: 2818000 -168.164 -0.414755 50.0491 14.906 -38.8679 -65.9313 -6.78066 -91.932 -35.9751 PRESSAVG: 2818000 53.2247 -15.0031 -13.321 -15.0031 -127.614 -37.8329 -13.3211 -37.8328 103.478 GPRESSAVG: 2818000 52.1705 -11.8587 -14.6566 -17.1277 -126.952 -38.9378 -13.0067 -35.5828 104.803 TIMING: 2818000 CPU: 8177.08, 0.00288614/step Wall: 8177.08, 0.00288614/step, 1.74932 hours remaining, 207.621094 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: 2818000 740.9012 2100.9304 1941.2621 102.6207 -205959.3246 17594.9419 0.0000 0.0000 34123.1797 -149355.4886 298.0062 -183478.6683 -149261.6919 299.2575 -114.6208 -81.0025 557329.3558 9.6962 10.0070 PRESSURE: 2818200 -33.4157 -76.7245 -237.292 -76.7243 -179.481 -227.933 -237.292 -227.932 35.5149 GPRESSURE: 2818200 46.3873 -136.437 -193.825 -70.1961 -170.91 -188.402 -309.413 -183.354 38.7388 PRESSAVG: 2818200 30.9648 -9.55296 -66.9963 -9.55307 -51.0717 -40.8955 -66.9963 -40.8954 -13.003 GPRESSAVG: 2818200 31.687 -9.21614 -63.3266 -9.6227 -51.3628 -40.0556 -68.6042 -41.1549 -13.2064 TIMING: 2818200 CPU: 8177.65, 0.00287999/step Wall: 8177.65, 0.00287999/step, 1.74543 hours remaining, 207.621094 MB of memory in use. ENERGY: 2818200 744.1823 2070.6966 1981.2786 109.4084 -205895.6225 17687.7515 0.0000 0.0000 34157.8620 -149144.4430 298.3091 -183302.3051 -149047.8165 299.2950 -59.1271 -28.5945 557075.8854 -11.0366 -10.9607 PRESSURE: 2818400 29.8662 -95.8352 11.05 -95.8342 -1.79497 0.6992 11.05 0.697501 266.937 GPRESSURE: 2818400 50.1604 2.71694 20.3259 -217.39 51.3729 14.5108 -45.1949 32.1535 291.33 PRESSAVG: 2818400 46.6643 29.2278 -48.2914 29.2278 -75.0997 -25.6342 -48.2914 -25.6342 47.2229 GPRESSAVG: 2818400 46.5794 29.1361 -50.9134 29.7986 -73.8234 -24.5238 -48.2296 -25.3597 46.4734 TIMING: 2818400 CPU: 8178.23, 0.00288655/step Wall: 8178.23, 0.00288655/step, 1.74925 hours remaining, 207.621094 MB of memory in use. ENERGY: 2818400 754.2043 2092.9594 1967.8654 119.4163 -206094.9900 17798.2343 0.0000 0.0000 34314.2026 -149048.1078 299.6745 -183362.3104 -148960.3083 299.5011 98.3361 130.9544 555709.5286 6.2625 6.4098 PRESSURE: 2818600 101.416 -14.1747 -17.6946 -14.1744 238.423 -94.9158 -17.6945 -94.9155 19.4369 GPRESSURE: 2818600 170.177 -127.725 -68.2962 -26.2825 205.773 -76.4304 -40.9491 -166.722 81.3686 PRESSAVG: 2818600 42.4139 -16.1646 -62.6406 -16.1645 -31.3827 -23.7327 -62.6407 -23.7328 -3.16283 GPRESSAVG: 2818600 42.4184 -16.8472 -62.6285 -17.3442 -32.6913 -24.8426 -59.819 -25.3933 -2.28582 TIMING: 2818600 CPU: 8178.81, 0.00287937/step Wall: 8178.81, 0.00287937/step, 1.74474 hours remaining, 207.621094 MB of memory in use. ENERGY: 2818600 698.7020 2129.5552 1967.7942 111.3151 -206339.7719 17892.7715 0.0000 0.0000 34467.1106 -149072.5234 301.0098 -183539.6340 -148985.7593 300.0455 119.7586 152.4395 555283.7127 2.6228 2.4804 PRESSURE: 2818800 -197.396 75.4109 -58.3096 75.4109 -325.585 63.0659 -58.3089 63.0663 -98.3819 GPRESSURE: 2818800 -208.473 29.5087 -35.2638 1.29142 -274.413 26.2512 -7.32774 35.6546 -25.4088 PRESSAVG: 2818800 54.5345 -63.211 -20.1833 -63.211 35.3894 -9.48102 -20.1832 -9.48113 -100.322 GPRESSAVG: 2818800 54.4501 -63.6662 -19.8216 -62.2277 36.5205 -7.79693 -20.3101 -8.31778 -100.851 TIMING: 2818800 CPU: 8179.39, 0.00289466/step Wall: 8179.39, 0.00289466/step, 1.75384 hours remaining, 207.621094 MB of memory in use. ENERGY: 2818800 759.1413 2115.0389 1969.6304 106.2755 -205592.9133 17439.5465 0.0000 0.0000 34243.0363 -148960.2444 299.0530 -183203.2808 -148869.9133 299.9998 -207.1211 -169.4315 556322.9096 -3.4660 -3.2936 PRESSURE: 2819000 -18.1369 110.201 5.79794 110.2 -86.0076 37.9166 5.79608 37.917 -74.9507 GPRESSURE: 2819000 2.61183 82.0742 -50.2583 62.7209 -33.7547 7.68404 -73.3077 50.6816 -41.5535 PRESSAVG: 2819000 28.7218 -58.1387 -3.63034 -58.1387 16.6434 -28.7059 -3.63027 -28.7059 10.1339 GPRESSAVG: 2819000 28.3204 -56.7231 -3.50666 -60.248 16.1354 -29.188 -5.44092 -28.9512 11.2354 TIMING: 2819000 CPU: 8179.97, 0.00289722/step Wall: 8179.97, 0.00289722/step, 1.75523 hours remaining, 207.621094 MB of memory in use. ENERGY: 2819000 721.7437 2066.8136 1980.1872 103.8342 -205906.8232 17630.4338 0.0000 0.0000 34459.5592 -148944.2516 300.9439 -183403.8108 -148851.1424 300.2440 -59.6984 -24.2321 556712.1611 18.4997 18.5637 PRESSURE: 2819200 -119.938 58.1615 -77.9036 58.1604 267.159 49.6712 -77.9047 49.671 -329.418 GPRESSURE: 2819200 -98.3946 109.745 -64.7117 58.5463 255.775 9.40485 -64.6477 85.3081 -246.102 PRESSAVG: 2819200 10.3433 44.7271 23.0449 44.7271 -0.101845 -9.83982 23.0448 -9.83975 -44.0567 GPRESSAVG: 2819200 10.5615 43.7936 24.8189 47.9785 -0.139881 -9.07727 22.9829 -10.982 -44.1615 TIMING: 2819200 CPU: 8180.55, 0.00290389/step Wall: 8180.55, 0.00290389/step, 1.75911 hours remaining, 207.824219 MB of memory in use. ENERGY: 2819200 753.7181 2130.0714 1956.7393 115.4705 -205964.6570 17602.7659 0.0000 0.0000 34454.0307 -148951.8611 300.8956 -183405.8918 -148854.0283 299.8541 -60.7322 -29.5739 557102.6320 -11.2717 -11.2466 PRESSURE: 2819400 165.207 -27.0722 25.8602 -27.0722 104.443 40.0837 25.859 40.0835 231.239 GPRESSURE: 2819400 185.497 21.6601 137.186 -37.7712 88.8987 17.9116 -60.4494 46.0845 321.335 PRESSAVG: 2819400 31.8331 5.67579 -4.32997 5.67578 -4.8976 -63.5129 -4.33001 -63.5129 -50.3141 GPRESSAVG: 2819400 31.5328 4.84285 -5.17105 6.33322 -4.41697 -62.6718 -4.5268 -63.9742 -50.8474 TIMING: 2819400 CPU: 8181.13, 0.0029288/step Wall: 8181.13, 0.0029288/step, 1.77404 hours remaining, 207.824219 MB of memory in use. ENERGY: 2819400 747.6079 2072.1589 1962.3031 103.6784 -206482.6672 18180.9368 0.0000 0.0000 34369.7579 -149046.2242 300.1596 -183415.9821 -148941.2212 299.6945 166.9629 198.5770 558684.6147 -7.7929 -7.9105 PRESSURE: 2819600 19.0639 22.4196 29.4385 22.4197 -51.3525 -191.321 29.4376 -191.321 -79.1556 GPRESSURE: 2819600 67.0809 44.0035 36.6373 87.2851 -66.3142 -220.21 6.47806 -105.535 -13.5936 PRESSAVG: 2819600 60.0431 49.6699 38.0765 49.6701 12.3328 -6.43087 38.0765 -6.43098 -52.7992 GPRESSAVG: 2819600 60.1033 49.2885 37.548 49.8672 12.0289 -7.11063 39.3639 -5.14445 -52.581 TIMING: 2819600 CPU: 8181.71, 0.00290535/step Wall: 8181.71, 0.00290535/step, 1.75968 hours remaining, 207.824219 MB of memory in use. ENERGY: 2819600 773.6837 2074.0564 1978.0137 109.1365 -206254.4584 17793.4326 0.0000 0.0000 34549.4229 -148976.7126 301.7287 -183526.1356 -148878.5627 299.7518 -37.1481 -4.2756 559154.9340 6.5255 6.5170 PRESSURE: 2819800 87.3257 -112.774 -31.5626 -112.774 -11.9133 -238.94 -31.5631 -238.942 181.204 GPRESSURE: 2819800 179.37 -218.198 -104.927 -114.321 17.1858 -259.606 -64.5259 -308.7 152.499 PRESSAVG: 2819800 67.0814 -34.8056 -4.34838 -34.8057 -37.3705 15.1241 -4.34838 15.1241 -11.4875 GPRESSAVG: 2819800 66.571 -32.9163 -4.86176 -38.9411 -36.2316 13.6776 -4.27551 15.0751 -12.3951 TIMING: 2819800 CPU: 8182.29, 0.00290138/step Wall: 8182.29, 0.00290138/step, 1.75711 hours remaining, 207.824219 MB of memory in use. ENERGY: 2819800 737.9137 2124.3770 1980.1474 113.1925 -206496.8471 18118.1325 0.0000 0.0000 34248.8543 -149174.2297 299.1038 -183423.0840 -149079.7056 299.4072 85.5388 116.3517 557591.2794 6.0745 5.9814 PRESSURE: 2820000 -70.1127 -48.3037 -189.163 -48.3024 -264.837 -21.3597 -189.164 -21.3588 -211.454 GPRESSURE: 2820000 -55.5183 -4.22666 -258.161 9.32677 -194.866 -67.376 -198.848 -67.6686 -206.599 PRESSAVG: 2820000 -27.3435 -14.7654 32.0604 -14.7655 -16.9696 -7.51195 32.0603 -7.51184 52.9431 GPRESSAVG: 2820000 -28.2503 -14.875 31.0945 -12.0467 -16.3378 -7.63329 30.701 -8.14628 52.8645 TIMING: 2820000 CPU: 8182.87, 0.00289349/step Wall: 8182.87, 0.00289349/step, 1.75217 hours remaining, 207.824219 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: 2820000 756.5714 2072.9700 1999.4022 116.9881 -205927.9849 17511.1534 0.0000 0.0000 34171.7364 -149299.1633 298.4303 -183470.8998 -149199.8503 299.1478 -182.1345 -152.3277 557345.8651 2.8767 2.7588 PRESSURE: 2820200 2.30404 7.77779 -195.902 7.77501 148.351 -129.059 -195.9 -129.059 36.9581 GPRESSURE: 2820200 -5.78857 -1.04772 -255.634 8.07233 201.365 -86.9195 -169.478 -63.1055 74.7115 PRESSAVG: 2820200 9.40453 61.5992 -35.1018 61.5992 -62.0951 -6.15947 -35.1016 -6.15935 23.3669 GPRESSAVG: 2820200 10.4047 60.6449 -32.9062 62.4034 -64.3721 -5.57964 -34.0413 -4.9594 24.3792 TIMING: 2820200 CPU: 8183.45, 0.00288408/step Wall: 8183.45, 0.00288408/step, 1.74631 hours remaining, 207.824219 MB of memory in use. ENERGY: 2820200 787.2023 2134.4757 1968.7546 112.6051 -206719.4049 18096.5965 0.0000 0.0000 34276.6077 -149343.1631 299.3461 -183619.7708 -149244.4875 299.3160 62.5377 90.0961 556610.3103 -9.7746 -9.8627 LDB: ============= START OF LOAD BALANCING ============== 8186.91 LDB: ============== END OF LOAD BALANCING =============== 8186.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8186.92 LDB: ============= START OF LOAD BALANCING ============== 8187.21 LDB: Largest compute 4821 load 0.031024 is 26.4% of average load 0.117698 LDB: Average compute 0.001727 is 1.5% of average load 0.117698 LDB: TIME 8187.21 LOAD: AVG 0.117698 MAX 0.1783 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 8187.21 LOAD: AVG 0.117698 MAX 0.1783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.523 MB LDB: TIME 8187.21 LOAD: AVG 0.117698 MAX 0.1783 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8187.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8187.22 PRESSURE: 2820400 234.324 45.9008 -190.329 45.9005 -187.114 -2.13013 -190.329 -2.12889 -43.3615 GPRESSURE: 2820400 275.111 1.61482 -116.332 -5.17159 -126.163 -46.977 -326.818 -40.6501 -40.781 PRESSAVG: 2820400 40.9795 -33.3448 11.3858 -33.3448 -31.6105 -36.6114 11.3858 -36.6114 -5.82839 GPRESSAVG: 2820400 40.5925 -34.3007 11.2823 -34.7523 -30.6486 -35.4408 8.26894 -39.1058 -5.56933 TIMING: 2820400 CPU: 8184.04, 0.00296447/step Wall: 8184.04, 0.00296447/step, 1.79482 hours remaining, 206.765625 MB of memory in use. ENERGY: 2820400 712.2398 2082.2111 1942.6037 126.2088 -206400.5883 17919.2931 0.0000 0.0000 34199.6988 -149418.3330 298.6745 -183618.0318 -149323.6810 298.7419 1.2826 36.0556 557729.9839 1.1802 1.4582 PRESSURE: 2820600 -10.1826 -104.683 22.0653 -104.682 109.346 31.3929 22.0636 31.3938 -46.1297 GPRESSURE: 2820600 -22.3212 -110.758 -63.3593 -78.9077 115.978 30.0628 19.9701 -33.7326 48.9007 PRESSAVG: 2820600 39.6218 -6.07389 -34.1589 -6.07378 -101.878 -68.2704 -34.1589 -68.2704 41.4389 GPRESSAVG: 2820600 40.7342 -4.14907 -36.6995 -4.76007 -101.671 -68.8293 -32.6989 -67.1861 40.2834 TIMING: 2820600 CPU: 8184.62, 0.00288844/step Wall: 8184.62, 0.00288844/step, 1.74863 hours remaining, 206.968750 MB of memory in use. ENERGY: 2820600 700.3720 2092.1198 1971.5732 104.3387 -206466.4984 17929.0153 0.0000 0.0000 34285.8092 -149383.2701 299.4265 -183669.0794 -149291.2302 298.9574 17.6777 47.5191 557474.1766 -6.9392 -6.8845 PRESSURE: 2820800 77.4975 -76.6767 -292.017 -76.6764 -132.913 -133.421 -292.018 -133.42 -108.539 GPRESSURE: 2820800 111.198 -82.413 -275.722 -22.4385 -82.8735 -38.069 -235.11 -193.697 -96.9082 PRESSAVG: 2820800 14.1573 18.8557 6.18925 18.8556 -2.02101 25.7318 6.18928 25.7318 -4.66361 GPRESSAVG: 2820800 14.0682 18.9521 6.621 17.2405 -1.28081 24.7032 5.41405 26.4067 -5.33464 TIMING: 2820800 CPU: 8185.2, 0.00289783/step Wall: 8185.2, 0.00289783/step, 1.75416 hours remaining, 206.968750 MB of memory in use. ENERGY: 2820800 714.1846 2083.5966 1931.1178 110.2194 -206221.9432 17706.5733 0.0000 0.0000 34132.1063 -149544.1452 298.0842 -183676.2515 -149446.3277 298.1656 -54.6516 -22.8612 557470.2790 2.4909 2.4842 PRESSURE: 2821000 -150.905 142.489 30.3336 142.49 242.248 319.643 30.3329 319.642 -39.5001 GPRESSURE: 2821000 -74.2835 81.4108 118.45 120.236 236.254 345.926 -70.4041 269.502 -24.0184 PRESSAVG: 2821000 57.5031 38.4006 -10.7592 38.4005 -2.0445 28.4668 -10.7591 28.4669 -84.8202 GPRESSAVG: 2821000 57.9651 38.2458 -8.62402 38.9838 -3.54303 29.3568 -11.4807 28.0743 -83.9402 TIMING: 2821000 CPU: 8185.78, 0.00288309/step Wall: 8185.78, 0.00288309/step, 1.74507 hours remaining, 206.968750 MB of memory in use. ENERGY: 2821000 755.5687 2039.3502 1970.4410 117.3241 -206763.8994 18140.7011 0.0000 0.0000 34218.6856 -149521.8287 298.8403 -183740.5143 -149427.9442 298.3634 17.2807 45.9839 556895.4368 -9.7872 -9.8394 PRESSURE: 2821200 -59.754 172.681 -70.0159 172.681 44.565 -100.011 -70.0166 -100.013 129.14 GPRESSURE: 2821200 -15.8569 219.208 -81.2454 125.555 90.0839 -145.08 -58.1667 -82.9373 133.868 PRESSAVG: 2821200 2.33824 45.8017 25.6328 45.8016 70.6642 20.1583 25.6329 20.1584 -31.5013 GPRESSAVG: 2821200 0.983239 46.5908 21.7019 46.4658 72.3091 18.8406 26.7753 20.2155 -31.596 TIMING: 2821200 CPU: 8186.36, 0.00291239/step Wall: 8186.36, 0.00291239/step, 1.76264 hours remaining, 207.230469 MB of memory in use. ENERGY: 2821200 756.0507 2047.1648 1969.8288 120.4155 -206481.2444 18028.7755 0.0000 0.0000 33945.1278 -149613.8813 296.4512 -183559.0091 -149527.3259 297.4694 37.9838 69.3649 557007.6464 13.8337 13.8988 PRESSURE: 2821400 -80.16 -10.1084 -104.621 -10.1097 79.9197 -84.5748 -104.622 -84.5747 -90.1454 GPRESSURE: 2821400 -68.3455 -107.913 -90.3878 -53.3576 118.266 -131.242 -37.4553 -79.2779 -38.7984 PRESSAVG: 2821400 -12.7374 -20.719 -56.7521 -20.719 -6.26618 -38.6717 -56.7522 -38.6717 20.9115 GPRESSAVG: 2821400 -11.6029 -22.3866 -54.9223 -19.6927 -7.1541 -35.52 -58.6668 -40.3838 20.9747 TIMING: 2821400 CPU: 8186.94, 0.00291078/step Wall: 8186.94, 0.00291078/step, 1.7615 hours remaining, 207.230469 MB of memory in use. ENERGY: 2821400 745.6050 2038.4548 1953.0933 106.7958 -206434.2827 17826.6286 0.0000 0.0000 34201.9273 -149561.7779 298.6939 -183763.7052 -149471.1507 297.7884 -30.1286 3.7075 556351.0919 0.6360 0.7392 PRESSURE: 2821600 56.8692 -148.341 -26.7957 -148.342 -7.50837 50.8427 -26.7956 50.8437 27.8808 GPRESSURE: 2821600 141.733 -180.65 -42.3181 -93.1825 49.401 2.52685 63.1563 68.2821 -27.8263 PRESSAVG: 2821600 38.5904 14.5127 -48.176 14.5126 -0.673155 -60.6857 -48.1761 -60.6858 16.6824 GPRESSAVG: 2821600 37.4906 15.6124 -48.9974 12.8665 0.562791 -63.2247 -47.4721 -58.7069 15.8614 TIMING: 2821600 CPU: 8187.52, 0.00290222/step Wall: 8187.52, 0.00290222/step, 1.75617 hours remaining, 207.230469 MB of memory in use. ENERGY: 2821600 696.5856 2068.9199 1962.1593 111.2070 -206409.4121 17826.3920 0.0000 0.0000 34205.9127 -149538.2357 298.7287 -183744.1484 -149443.1757 297.7518 25.7472 54.4358 556446.5777 18.1999 17.9716 PRESSURE: 2821800 -184.05 -134.407 -25.7381 -134.408 -193.734 61.3385 -25.7383 61.3388 189.207 GPRESSURE: 2821800 -167.5 -152.92 -8.13792 -107.365 -127.837 91.0975 -8.72448 -6.35769 200.354 PRESSAVG: 2821800 -9.1097 53.3418 -6.36223 53.3417 29.7347 -38.1484 -6.36227 -38.1484 8.51281 GPRESSAVG: 2821800 -9.60601 53.5382 -7.10489 54.0852 28.5246 -37.688 -4.6214 -39.9039 9.55899 TIMING: 2821800 CPU: 8188.1, 0.00288386/step Wall: 8188.1, 0.00288386/step, 1.7449 hours remaining, 207.230469 MB of memory in use. ENERGY: 2821800 745.7618 2104.2625 1958.1090 121.5270 -206226.6759 17758.5794 0.0000 0.0000 33975.8884 -149562.5478 296.7199 -183538.4362 -149472.2182 297.8132 -62.8588 -31.6608 557412.9280 9.7126 9.4925 PRESSURE: 2822000 37.294 -56.3882 43.7426 -56.3891 -202.887 16.5179 43.7433 16.5173 34.6756 GPRESSURE: 2822000 3.67592 -12.1208 18.5929 -114.548 -147.72 54.5216 28.4499 -9.63652 105.709 PRESSAVG: 2822000 39.1476 -73.91 -33.7439 -73.9099 -71.1603 -89.8665 -33.7438 -89.8667 22.5282 GPRESSAVG: 2822000 39.2513 -73.3016 -34.0427 -76.2589 -71.579 -87.7251 -33.5436 -89.6637 22.888 TIMING: 2822000 CPU: 8188.68, 0.00292297/step Wall: 8188.68, 0.00292297/step, 1.7684 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2822000 758.9707 2129.7676 1980.8580 113.7707 -206525.9753 17865.6905 0.0000 0.0000 34101.4296 -149575.4882 297.8163 -183676.9178 -149478.5499 297.7657 -43.6392 -12.7782 558079.3651 -3.1615 -3.1466 PRESSURE: 2822200 -12.9993 98.7925 -28.5014 98.7935 83.0892 12.5949 -28.503 12.5937 135.03 GPRESSURE: 2822200 -12.4325 67.2271 -88.5618 60.8245 116.661 47.685 38.0349 -72.8139 195.003 PRESSAVG: 2822200 -4.9261 -34.8674 -35.012 -34.8674 1.31526 4.94496 -35.0119 4.94498 -1.70546 GPRESSAVG: 2822200 -4.30025 -36.769 -32.6699 -31.8732 1.53256 2.46644 -36.7834 6.89406 -2.23432 TIMING: 2822200 CPU: 8189.27, 0.00292069/step Wall: 8189.27, 0.00292069/step, 1.76686 hours remaining, 207.230469 MB of memory in use. ENERGY: 2822200 742.1544 2071.8037 1980.8959 112.6348 -206518.6867 17963.6615 0.0000 0.0000 34280.0946 -149367.4417 299.3766 -183647.5364 -149276.1262 298.0364 68.3733 99.7437 557632.7877 -1.7721 -1.6673 PRESSURE: 2822400 189.099 13.7117 -26.0095 13.7119 83.817 -18.3645 -26.0111 -18.3636 307.753 GPRESSURE: 2822400 244.163 28.5858 -13.0911 120.358 111.053 -65.2172 109.717 -64.9896 318.19 PRESSAVG: 2822400 -7.28343 8.65897 2.42325 8.65896 -46.3962 -0.14461 2.42315 -0.144589 54.6463 GPRESSAVG: 2822400 -7.16281 9.83749 0.55899 5.23603 -45.8864 -0.567403 3.32593 -1.39452 54.5411 TIMING: 2822400 CPU: 8189.85, 0.00291419/step Wall: 8189.85, 0.00291419/step, 1.76276 hours remaining, 207.230469 MB of memory in use. ENERGY: 2822400 737.0924 2133.0138 1976.0965 111.6045 -206376.4897 17985.2671 0.0000 0.0000 34152.5041 -149280.9113 298.2623 -183433.4154 -149187.6262 298.2896 193.5563 224.4687 558108.3144 0.3222 0.4973 PRESSURE: 2822600 70.9554 -23.5931 52.9971 -23.5924 64.019 160.03 52.9988 160.03 -202.847 GPRESSURE: 2822600 125.534 16.2553 -14.8479 -41.0082 73.5007 210.249 149.138 101.325 -175.469 PRESSAVG: 2822600 -9.37253 -49.4648 -12.7213 -49.4647 18.5077 -2.34754 -12.7212 -2.34743 -35.1078 GPRESSAVG: 2822600 -8.31048 -48.4179 -11.3613 -47.9855 16.7907 -1.58077 -13.1105 -1.6336 -34.3912 TIMING: 2822600 CPU: 8190.43, 0.00289877/step Wall: 8190.43, 0.00289877/step, 1.75327 hours remaining, 207.230469 MB of memory in use. ENERGY: 2822600 790.2293 2142.1332 1951.0673 110.3245 -206331.1830 17934.1139 0.0000 0.0000 34233.1690 -149170.1458 298.9668 -183403.3148 -149077.6748 299.0378 -22.6244 7.8551 557899.4592 -8.6575 -8.6370 PRESSURE: 2822800 109.823 30.3287 -85.0223 30.3284 -127.082 137.062 -85.0231 137.062 83.9628 GPRESSURE: 2822800 146.68 38.5283 13.3699 -27.9472 -137.519 187.223 -87.8008 96.1592 150.814 PRESSAVG: 2822800 22.0262 1.06191 -61.1157 1.0619 -53.9792 -0.434468 -61.1157 -0.434489 26.9595 GPRESSAVG: 2822800 20.8947 0.00729143 -63.1183 1.31371 -52.0643 -0.896956 -59.8324 -0.377707 25.8194 TIMING: 2822800 CPU: 8191.01, 0.00289204/step Wall: 8191.01, 0.00289204/step, 1.74904 hours remaining, 207.230469 MB of memory in use. ENERGY: 2822800 735.2817 2085.0324 1954.8857 112.8458 -206532.5319 18149.1474 0.0000 0.0000 34354.6922 -149140.6467 300.0281 -183495.3390 -149048.7182 299.4295 22.2344 53.3249 559033.8146 -1.6645 -1.7834 PRESSURE: 2823000 -142.823 97.3336 -53.6757 97.3329 127.92 98.0247 -53.6754 98.0236 136.37 GPRESSURE: 2823000 -60.5322 159.968 -46.7658 63.3927 190.077 12.3482 -115.855 178.744 78.7144 PRESSAVG: 2823000 -7.31555 13.9604 -69.7896 13.9604 -32.0388 -6.04278 -69.7895 -6.0428 63.5472 GPRESSAVG: 2823000 -7.73531 14.8478 -66.9484 12.5835 -32.2207 -6.19738 -71.3482 -7.72527 63.9413 TIMING: 2823000 CPU: 8191.58, 0.00288207/step Wall: 8191.58, 0.00288207/step, 1.74285 hours remaining, 207.230469 MB of memory in use. ENERGY: 2823000 707.4984 2093.8462 1959.6948 116.9854 -206369.8593 17949.7702 0.0000 0.0000 34426.2801 -149115.7841 300.6533 -183542.0642 -149014.6578 299.1841 40.4886 69.4197 558936.7124 8.0643 7.9951 PRESSURE: 2823200 62.1062 27.945 -103.136 27.9448 60.4739 43.2435 -103.135 43.2442 -49.7818 GPRESSURE: 2823200 77.0848 -4.68255 -121.156 119.03 126.236 135.108 -24.7424 13.5461 -30.8684 PRESSAVG: 2823200 -48.6592 -0.0990128 32.0273 -0.0989588 -17.1167 -31.1447 32.0273 -31.1446 36.6093 GPRESSAVG: 2823200 -47.6045 -0.964207 28.8804 1.21912 -17.7402 -30.0872 34.1998 -30.5852 36.5545 TIMING: 2823200 CPU: 8192.16, 0.00287741/step Wall: 8192.16, 0.00287741/step, 1.73988 hours remaining, 207.230469 MB of memory in use. ENERGY: 2823200 762.1178 2053.5130 1975.1333 125.2727 -206316.3397 18039.9930 0.0000 0.0000 34212.3500 -149147.9598 298.7850 -183360.3098 -149051.6741 299.8783 24.2661 57.4842 558502.8720 -9.7222 -9.5967 PRESSURE: 2823400 25.8652 -153.453 24.0015 -153.453 -28.9253 -49.1307 24.0018 -49.1302 -293.469 GPRESSURE: 2823400 5.61108 -76.4877 113.915 -113.689 22.4221 -74.3102 -77.9211 -44.5102 -230.338 PRESSAVG: 2823400 25.6907 -1.80544 13.0766 -1.80537 -69.6912 10.4649 13.0767 10.4649 15.4357 GPRESSAVG: 2823400 25.1577 -2.27522 13.3598 -1.37899 -69.0947 12.0594 13.0128 10.7213 15.4432 TIMING: 2823400 CPU: 8192.74, 0.00289067/step Wall: 8192.74, 0.00289067/step, 1.74773 hours remaining, 207.230469 MB of memory in use. ENERGY: 2823400 783.1126 2007.0322 1956.1764 113.4386 -206047.1797 17765.5223 0.0000 0.0000 34406.2735 -149015.6242 300.4785 -183421.8976 -148912.6638 298.9150 -98.8431 -67.4349 558813.3491 -9.5216 -9.4979 PRESSURE: 2823600 -82.212 173.678 83.453 173.678 25.9137 -154.778 83.4529 -154.778 -116.328 GPRESSURE: 2823600 -63.7332 159.729 -19.0024 257.999 46.186 -103.048 139.993 -106.679 -52.2974 PRESSAVG: 2823600 21.7493 -41.4922 20.0603 -41.4922 0.425128 -22.9665 20.0603 -22.9665 -21.8778 GPRESSAVG: 2823600 21.7295 -40.6754 18.9175 -41.9425 0.548311 -25.1297 20.9287 -19.5164 -21.7102 TIMING: 2823600 CPU: 8193.32, 0.00291439/step Wall: 8193.32, 0.00291439/step, 1.76191 hours remaining, 207.230469 MB of memory in use. ENERGY: 2823600 730.2265 2039.7136 1958.8284 108.8030 -206149.9086 17672.0289 0.0000 0.0000 34596.1700 -149044.1383 302.1370 -183640.3083 -148941.3916 299.5377 -57.5421 -23.2816 556789.0670 0.0989 0.1892 PRESSURE: 2823800 -245.228 -61.5895 -46.9373 -61.5891 47.8762 5.69811 -46.9387 5.69782 -78.7681 GPRESSURE: 2823800 -224.329 21.0076 31.116 -104.754 156.255 82.7907 -10.447 -12.1726 -105.849 PRESSAVG: 2823800 50.7503 26.3209 -25.4746 26.3207 12.8427 -37.3028 -25.4747 -37.3028 1.73711 GPRESSAVG: 2823800 51.0583 24.7888 -24.7466 27.4875 12.6792 -36.5308 -27.4423 -41.153 1.56816 TIMING: 2823800 CPU: 8193.9, 0.00289178/step Wall: 8193.9, 0.00289178/step, 1.74808 hours remaining, 207.230469 MB of memory in use. ENERGY: 2823800 724.2083 2031.8743 1981.0587 136.4900 -205761.7874 17564.2120 0.0000 0.0000 34374.8744 -148949.0698 300.2043 -183323.9441 -148854.6496 299.9793 -92.0401 -57.9743 557999.0907 21.7767 21.7686 PRESSURE: 2824000 26.3098 -26.9918 -106.137 -26.9921 52.7828 30.6812 -106.137 30.6803 -132.805 GPRESSURE: 2824000 79.1689 42.7755 -123.728 -3.52157 70.076 10.2711 -82.7191 -22.0216 -121.146 PRESSAVG: 2824000 67.7174 16.8949 -17.4621 16.895 4.32047 2.32978 -17.4621 2.32985 -49.7561 GPRESSAVG: 2824000 66.7154 21.1148 -14.7607 14.4261 4.53141 3.30512 -17.6777 1.29188 -48.8091 TIMING: 2824000 CPU: 8194.48, 0.00288464/step Wall: 8194.48, 0.00288464/step, 1.74361 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2824000 719.9821 2131.8613 1995.0717 130.5780 -205840.2863 17660.3984 0.0000 0.0000 34317.5850 -148884.8099 299.7040 -183202.3949 -148788.2015 300.4923 -17.9040 9.3663 556536.4287 7.4273 7.4792 PRESSURE: 2824200 -132.086 -71.9343 -27.9234 -71.9341 -341.29 -26.8999 -27.9238 -26.8996 -249.856 GPRESSURE: 2824200 -142.321 -38.8306 -38.6268 -102.802 -293.644 -51.1084 1.69748 -50.1039 -182.188 PRESSAVG: 2824200 32.0983 42.4428 -8.91851 42.4427 47.0477 -11.2029 -8.91849 -11.2029 -68.2864 GPRESSAVG: 2824200 32.1062 38.8501 -7.88437 42.5562 46.7455 -12.5629 -8.49613 -9.72134 -67.8238 TIMING: 2824200 CPU: 8195.05, 0.00289425/step Wall: 8195.05, 0.00289425/step, 1.74925 hours remaining, 207.230469 MB of memory in use. ENERGY: 2824200 775.0762 2114.5061 1977.5175 110.9281 -205554.5272 17350.8262 0.0000 0.0000 34243.2120 -148982.4611 299.0545 -183225.6730 -148882.3382 299.6653 -241.0777 -206.0510 557654.9012 3.6199 3.6760 LDB: ============= START OF LOAD BALANCING ============== 8198.52 LDB: ============== END OF LOAD BALANCING =============== 8198.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8198.52 LDB: ============= START OF LOAD BALANCING ============== 8198.82 LDB: Largest compute 4821 load 0.033086 is 28.1% of average load 0.117675 LDB: Average compute 0.001729 is 1.5% of average load 0.117675 LDB: TIME 8198.82 LOAD: AVG 0.117675 MAX 0.177491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.926 MB LDB: TIME 8198.82 LOAD: AVG 0.117675 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 8198.82 LOAD: AVG 0.117675 MAX 0.177491 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8198.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8198.83 Info: useSync: 0 useProxySync: 0 PRESSURE: 2824400 -79.1598 22.2875 -133.342 22.2865 -266.266 -61.7791 -133.342 -61.7798 34.2445 GPRESSURE: 2824400 -71.7922 80.7254 -153.961 -78.4189 -167.662 -143.993 -179.074 -31.9876 40.6206 PRESSAVG: 2824400 28.0607 42.2274 41.0659 42.2274 30.191 -36.0693 41.0658 -36.0692 -73.6112 GPRESSAVG: 2824400 29.3657 43.8587 40.3887 41.2089 30.4772 -36.5743 39.2206 -35.2443 -74.8343 TIMING: 2824400 CPU: 8195.65, 0.00298695/step Wall: 8195.65, 0.00298695/step, 1.80511 hours remaining, 205.621094 MB of memory in use. ENERGY: 2824400 774.0670 2012.2073 1983.6131 119.2846 -205761.8541 17528.5167 0.0000 0.0000 34391.9695 -148952.1959 300.3536 -183344.1654 -148853.0539 299.8187 -103.7273 -66.2779 556716.7311 -5.1198 -4.9971 PRESSURE: 2824600 -48.8111 76.2047 -108.372 76.2058 30.9342 162.679 -108.373 162.678 -108.117 GPRESSURE: 2824600 -47.9644 27.88 -61.2138 155.683 141.13 204.132 -95.7924 106.185 -128.256 PRESSAVG: 2824600 -4.33032 -0.561385 20.0355 -0.561445 61.998 -23.6813 20.0354 -23.6812 -4.82006 GPRESSAVG: 2824600 -5.0441 -2.99715 18.2868 0.549567 63.6116 -24.3035 22.147 -22.2488 -5.69409 TIMING: 2824600 CPU: 8196.23, 0.00291423/step Wall: 8196.23, 0.00291423/step, 1.76101 hours remaining, 205.863281 MB of memory in use. ENERGY: 2824600 719.8212 2038.7085 1952.1147 111.9408 -205991.0474 17682.4815 0.0000 0.0000 34284.1331 -149201.8476 299.4119 -183485.9808 -149099.8326 299.7595 -41.9980 -11.6968 557290.0873 17.6159 17.6245 PRESSURE: 2824800 -111.932 125.798 65.7214 125.798 -39.0513 74.3945 65.7213 74.3933 41.902 GPRESSURE: 2824800 -86.414 76.9604 -1.40734 165.079 -24.4077 38.3233 93.7677 27.8525 94.9775 PRESSAVG: 2824800 -23.41 10.594 -23.3815 10.5939 -19.3308 21.6862 -23.3816 21.6861 28.9738 GPRESSAVG: 2824800 -22.4385 11.2678 -21.8877 11.7303 -20.7185 21.9335 -25.917 19.8398 29.3082 TIMING: 2824800 CPU: 8196.82, 0.00291737/step Wall: 8196.82, 0.00291738/step, 1.76274 hours remaining, 205.863281 MB of memory in use. ENERGY: 2824800 758.8045 2104.1437 1974.8417 115.0698 -206129.6876 17870.6895 0.0000 0.0000 34201.1912 -149104.9473 298.6875 -183306.1384 -149002.5648 298.8186 -36.3605 -5.2814 556804.3714 -4.5890 -4.6163 PRESSURE: 2825000 37.4348 65.6439 -120.158 65.6428 39.1486 28.1274 -120.158 28.1274 -23.786 GPRESSURE: 2825000 86.3708 18.1906 -111.648 167.218 72.4002 57.9866 -138.213 -82.2327 -22.3472 PRESSAVG: 2825000 -43.5771 71.1496 -42.1127 71.1497 34.4235 37.7605 -42.1127 37.7604 -3.80637 GPRESSAVG: 2825000 -45.6473 72.1152 -43.5857 69.5569 34.6594 38.498 -41.2782 37.3583 -2.27016 TIMING: 2825000 CPU: 8197.4, 0.00290369/step Wall: 8197.4, 0.00290369/step, 1.75432 hours remaining, 205.863281 MB of memory in use. ENERGY: 2825000 775.7591 2055.6444 1968.8210 104.0556 -206219.7962 17909.1393 0.0000 0.0000 34174.6890 -149231.6878 298.4561 -183406.3768 -149131.6398 298.7603 17.5991 45.4746 558204.7126 -4.3200 -4.4193 PRESSURE: 2825200 -155.909 20.7982 74.8125 20.7977 61.437 -113.354 74.8127 -113.355 -32.3014 GPRESSURE: 2825200 -91.1729 89.0228 34.186 -27.7936 64.8752 -108.713 97.9918 -140.544 -2.3397 PRESSAVG: 2825200 -20.9722 -35.0623 -8.43137 -35.0623 43.8773 47.5206 -8.43146 47.5205 -52.9958 GPRESSAVG: 2825200 -18.5314 -33.0434 -7.69053 -34.9795 43.0368 48.0971 -5.80298 49.1564 -53.6705 TIMING: 2825200 CPU: 8197.98, 0.00289255/step Wall: 8197.98, 0.00289255/step, 1.74742 hours remaining, 205.863281 MB of memory in use. ENERGY: 2825200 757.2672 2072.4964 1956.5952 112.8782 -206134.8031 17698.7301 0.0000 0.0000 34338.0596 -149198.7764 299.8828 -183536.8361 -149107.9982 298.8934 -42.2578 -9.5458 556256.6097 -10.0302 -9.7217 PRESSURE: 2825400 -185.923 -13.2864 153.567 -13.2856 -68.4221 -47.627 153.567 -47.6281 210.3 GPRESSURE: 2825400 -231.204 45.5014 108.375 -0.27936 29.0969 11.9392 257.582 -68.3661 260.366 PRESSAVG: 2825400 -5.06675 -17.8811 23.751 -17.8811 33.56 -31.9019 23.751 -31.9021 13.279 GPRESSAVG: 2825400 -6.86858 -18.6682 23.2907 -16.7108 35.4052 -31.7848 21.0005 -32.6775 13.844 TIMING: 2825400 CPU: 8198.55, 0.00287565/step Wall: 8198.55, 0.00287566/step, 1.73706 hours remaining, 205.863281 MB of memory in use. ENERGY: 2825400 772.8791 2056.0843 1966.3305 111.5521 -206264.1493 17917.9816 0.0000 0.0000 34255.7223 -149183.5994 299.1637 -183439.3217 -149088.6817 298.8734 -14.6819 19.4197 557678.1777 13.9241 14.1269 PRESSURE: 2825600 -12.8764 -10.8859 -87.7264 -10.8854 -23.3588 84.1733 -87.726 84.1747 217.25 GPRESSURE: 2825600 126.478 -11.3905 -172.13 -1.16484 1.70978 95.0046 -29.2656 80.9479 155.954 PRESSAVG: 2825600 16.1452 -17.2739 -6.16711 -17.2739 -24.9638 -0.401755 -6.16704 -0.401713 23.1881 GPRESSAVG: 2825600 17.4459 -20.3617 -6.18488 -18.0708 -25.7539 -1.0843 -4.94557 -0.379525 22.088 TIMING: 2825600 CPU: 8199.13, 0.00288714/step Wall: 8199.13, 0.00288714/step, 1.74383 hours remaining, 205.863281 MB of memory in use. ENERGY: 2825600 725.8204 2154.8156 1968.9747 115.6543 -206407.0525 17904.7487 0.0000 0.0000 34381.2526 -149155.7863 300.2600 -183537.0389 -149055.8098 298.8142 60.3381 94.7139 557288.4553 4.7898 4.5934 PRESSURE: 2825800 167.643 -80.9922 162.893 -80.9924 254.151 -182.323 162.892 -182.324 -174.469 GPRESSURE: 2825800 127.445 -122.216 189.377 -16.1053 307.63 -277.855 127.828 -99.4441 -95.3117 PRESSAVG: 2825800 83.0733 -20.8054 14.4548 -20.8055 -33.9015 19.9411 14.4547 19.9411 -12.869 GPRESSAVG: 2825800 81.9455 -20.8451 18.117 -20.1435 -35.4027 20.9221 11.7234 18.2612 -10.716 TIMING: 2825800 CPU: 8199.71, 0.00289742/step Wall: 8199.71, 0.00289742/step, 1.74988 hours remaining, 205.863281 MB of memory in use. ENERGY: 2825800 680.3485 2103.3406 1986.3210 108.6136 -206225.4191 17799.4458 0.0000 0.0000 34253.4503 -149293.8992 299.1439 -183547.3496 -149194.6825 298.9105 82.4415 113.2544 555854.1046 12.1009 11.9423 PRESSURE: 2826000 -164.438 16.7794 56.1139 16.7787 -243.983 -114.735 56.1121 -114.736 -52.0595 GPRESSURE: 2826000 -79.247 51.8205 -14.168 -34.5499 -242.555 -203.125 102.458 -65.4434 -40.6414 PRESSAVG: 2826000 15.9475 -42.66 15.0021 -42.66 78.331 -18.3702 15.002 -18.3704 -45.5846 GPRESSAVG: 2826000 15.3178 -42.2349 12.5688 -43.0343 80.0266 -19.4168 17.7527 -18.2341 -46.3328 TIMING: 2826000 CPU: 8200.29, 0.00290811/step Wall: 8200.29, 0.00290811/step, 1.75617 hours remaining, 205.863281 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: 2826000 712.7777 2080.4989 1942.1878 119.9520 -205752.7407 17360.6341 0.0000 0.0000 34259.7196 -149276.9705 299.1987 -183536.6901 -149178.1649 299.2980 -153.4938 -120.8144 555866.2154 16.2313 16.3372 PRESSURE: 2826200 -98.1642 -14.7652 -70.8278 -14.767 -66.7654 -67.4804 -70.8282 -67.4814 40.1459 GPRESSURE: 2826200 -71.0256 7.59039 -29.8321 15.7184 -51.8155 -107.517 -94.9718 -158.023 85.5521 PRESSAVG: 2826200 -56.3907 0.0546763 -29.8585 0.0546549 14.3619 -35.7261 -29.8585 -35.7261 -23.8094 GPRESSAVG: 2826200 -55.3509 0.807596 -29.6007 -0.347617 13.5685 -34.4388 -31.4263 -38.5392 -24.5348 TIMING: 2826200 CPU: 8200.87, 0.00287193/step Wall: 8200.87, 0.00287193/step, 1.73417 hours remaining, 205.863281 MB of memory in use. ENERGY: 2826200 770.4198 2030.1762 1966.8777 99.7689 -206345.1133 17873.8273 0.0000 0.0000 34219.3412 -149384.7022 298.8460 -183604.0435 -149287.7691 299.1742 -41.5946 -12.4296 556025.8932 -21.9461 -22.1057 PRESSURE: 2826400 -20.9639 42.49 -107.907 42.4912 21.395 33.1092 -107.908 33.1102 -67.2622 GPRESSURE: 2826400 65.8067 77.889 -235.51 85.5165 -23.5429 72.836 -118.456 32.1169 -17.4256 PRESSAVG: 2826400 -10.5762 0.169718 -26.4705 0.16985 -9.14305 -47.9007 -26.4704 -47.9006 14.3461 GPRESSAVG: 2826400 -11.0883 -0.590574 -26.778 1.38898 -8.79781 -47.6376 -28.1892 -45.0134 14.114 TIMING: 2826400 CPU: 8201.44, 0.00288482/step Wall: 8201.44, 0.00288482/step, 1.74179 hours remaining, 205.863281 MB of memory in use. ENERGY: 2826400 764.0987 2044.8329 1970.7408 122.7291 -206202.3481 17817.5922 0.0000 0.0000 34209.7478 -149272.6066 298.7622 -183482.3544 -149176.0674 298.5472 -22.2770 8.2794 557380.3017 -1.7911 -1.9240 PRESSURE: 2826600 -218.193 15.9727 31.3337 15.9739 135.711 56.3486 31.3328 56.3503 -81.7451 GPRESSURE: 2826600 -181.897 11.7653 -35.5193 -84.2626 222.821 84.0751 -28.5117 80.5956 -106.773 PRESSAVG: 2826600 -59.5928 23.4926 -75.3815 23.4927 19.4895 -10.2447 -75.3815 -10.2447 -5.76659 GPRESSAVG: 2826600 -58.5882 24.718 -75.9987 23.1123 19.0668 -11.1993 -72.597 -9.04597 -6.51248 TIMING: 2826600 CPU: 8202.02, 0.00288866/step Wall: 8202.02, 0.00288866/step, 1.74395 hours remaining, 205.863281 MB of memory in use. ENERGY: 2826600 753.2592 2029.2987 1979.4876 100.4713 -205853.5451 17681.0377 0.0000 0.0000 34157.3425 -149152.6482 298.3046 -183309.9906 -149051.8154 299.2176 -54.7425 -21.9496 556754.4965 -15.2900 -15.3446 PRESSURE: 2826800 -228.213 -52.2629 -126.779 -52.2631 264.247 -93.1588 -126.778 -93.1591 20.6896 GPRESSURE: 2826800 -200.11 -117.871 -40.7629 1.86962 291.49 -76.1969 -122.488 -32.1018 64.7159 PRESSAVG: 2826800 -68.1085 -58.8503 -22.0519 -58.8503 80.6071 37.1713 -22.0519 37.1713 -49.1797 GPRESSAVG: 2826800 -69.898 -58.3708 -22.5417 -59.6204 80.958 37.0989 -20.9981 36.6125 -47.906 TIMING: 2826800 CPU: 8202.6, 0.00289557/step Wall: 8202.6, 0.00289557/step, 1.74796 hours remaining, 205.863281 MB of memory in use. ENERGY: 2826800 730.0409 2096.2158 1956.4695 108.0697 -206086.1246 17895.1997 0.0000 0.0000 34246.8992 -149053.2297 299.0867 -183300.1290 -148958.7754 299.0729 18.9076 52.0320 558131.7644 -12.2270 -12.2820 PRESSURE: 2827000 -22.5843 -42.668 -82.3994 -42.6692 298.751 -102.016 -82.3996 -102.016 -105.962 GPRESSURE: 2827000 52.8866 -28.6126 -135.199 -77.5177 290.439 -72.779 -40.7637 -50.187 -80.2927 PRESSAVG: 2827000 -23.6992 0.179236 -43.7458 0.179245 44.3118 17.623 -43.7459 17.6229 41.2821 GPRESSAVG: 2827000 -22.2496 -2.17784 -44.9966 1.21433 42.1084 18.3982 -44.5086 17.2665 42.2948 TIMING: 2827000 CPU: 8203.18, 0.00289488/step Wall: 8203.18, 0.00289488/step, 1.74738 hours remaining, 205.863281 MB of memory in use. ENERGY: 2827000 738.6396 2088.5205 1977.8729 112.1594 -206091.8530 17847.4565 0.0000 0.0000 34171.8580 -149155.3461 298.4313 -183327.2041 -149060.6298 299.7869 56.7351 87.6776 558158.1958 20.6315 20.7179 PRESSURE: 2827200 -24.5369 -72.6869 54.8154 -72.687 -228.472 -142.895 54.8149 -142.894 -43.6376 GPRESSURE: 2827200 24.0181 -97.3661 29.7693 -13.608 -158.345 -142.505 144.925 -128.747 -64.7949 PRESSAVG: 2827200 -24.0473 31.3999 -37.6977 31.3999 43.0486 -6.27379 -37.6979 -6.2739 -3.72766 GPRESSAVG: 2827200 -24.1183 31.8838 -35.3255 31.8363 44.8532 -8.30508 -38.3757 -5.71218 -5.24633 TIMING: 2827200 CPU: 8203.76, 0.00290744/step Wall: 8203.76, 0.00290744/step, 1.7548 hours remaining, 205.863281 MB of memory in use. ENERGY: 2827200 755.6757 2094.3713 2015.6739 115.1113 -206355.8075 17900.5051 0.0000 0.0000 34211.0911 -149263.3792 298.7740 -183474.4703 -149164.6848 298.9154 -98.8822 -66.3740 560421.8858 5.0912 5.1629 PRESSURE: 2827400 67.4076 78.9726 -83.4537 78.9729 40.9693 29.7705 -83.4537 29.7682 43.3138 GPRESSURE: 2827400 120.031 104.221 -72.6386 45.0227 71.298 86.3433 -85.4064 26.111 43.968 PRESSAVG: 2827400 41.0593 -37.5059 12.1776 -37.5059 22.5137 -12.1795 12.1776 -12.1794 -88.4555 GPRESSAVG: 2827400 42.0074 -36.9106 11.1495 -37.5244 22.7343 -11.8831 11.2831 -12.0472 -89.0449 TIMING: 2827400 CPU: 8204.34, 0.00288828/step Wall: 8204.34, 0.00288828/step, 1.74308 hours remaining, 206.156250 MB of memory in use. ENERGY: 2827400 715.3431 2051.1885 1991.5627 110.3111 -205945.3796 17682.2277 0.0000 0.0000 34037.3303 -149357.4161 297.2565 -183394.7465 -149265.8519 297.8832 50.5635 78.4322 558800.3969 -8.2942 -8.1011 PRESSURE: 2827600 7.09347 24.04 6.84557 24.04 -8.68987 -75.9052 6.84631 -75.9055 21.6083 GPRESSURE: 2827600 93.3618 76.6073 13.3092 60.8222 12.6532 -32.6313 -23.9954 -68.5218 15.7655 PRESSAVG: 2827600 41.3248 16.5758 -2.3895 16.5758 -58.0559 -3.33932 -2.38949 -3.33924 32.2362 GPRESSAVG: 2827600 40.9591 16.5668 -3.29089 18.104 -58.4998 -2.57104 -1.81086 -3.63053 32.5018 TIMING: 2827600 CPU: 8204.91, 0.00287671/step Wall: 8204.91, 0.00287671/step, 1.73594 hours remaining, 206.156250 MB of memory in use. ENERGY: 2827600 765.2853 2076.5814 1968.4808 101.8578 -206548.3667 18055.0552 0.0000 0.0000 34061.4720 -149519.6343 297.4673 -183581.1062 -149423.4984 298.2830 6.6706 40.5935 556848.6063 5.1684 4.9871 PRESSURE: 2827800 447.261 -142.5 71.9962 -142.5 224.095 -104.695 71.9957 -104.697 190.018 GPRESSURE: 2827800 462.743 -174.511 88.3904 -58.9577 272.083 -103.946 6.66723 -122.169 235.73 PRESSAVG: 2827800 65.5996 -7.10936 7.28167 -7.10933 9.48907 -46.9038 7.2817 -46.9039 -56.4268 GPRESSAVG: 2827800 63.7245 -6.44567 6.46183 -8.48007 9.51617 -47.715 8.27492 -46.802 -55.6285 TIMING: 2827800 CPU: 8205.49, 0.00290499/step Wall: 8205.49, 0.00290499/step, 1.75284 hours remaining, 206.156250 MB of memory in use. ENERGY: 2827800 701.1301 2058.8206 1988.6724 115.0468 -206923.1882 18225.8942 0.0000 0.0000 34192.3063 -149641.3178 298.6099 -183833.6241 -149539.3763 297.5799 287.1248 323.5188 554760.9689 6.2206 5.8707 PRESSURE: 2828000 30.5282 120.088 -62.0276 120.089 -158.791 -2.49591 -62.028 -2.49612 -36.7441 GPRESSURE: 2828000 83.5253 0.195436 -65.83 139.947 -78.3167 17.4997 -95.4375 -91.1144 -76.4681 PRESSAVG: 2828000 54.0866 12.8752 18.1923 12.8752 -56.9772 44.7478 18.1924 44.7478 -12.382 GPRESSAVG: 2828000 54.7939 11.5553 19.9961 12.7169 -56.9256 43.569 17.7784 44.5505 -12.9432 TIMING: 2828000 CPU: 8206.07, 0.00290146/step Wall: 8206.07, 0.00290146/step, 1.75055 hours remaining, 206.156250 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: 2828000 781.1220 2052.4234 1952.7092 106.6042 -206012.9166 17662.8917 0.0000 0.0000 34060.2463 -149396.9199 297.4566 -183457.1662 -149299.4057 297.8184 -55.0024 -23.7532 557452.1197 -5.0909 -5.0250 PRESSURE: 2828200 186.138 -175.08 67.2146 -175.081 13.2179 -9.92073 67.2147 -9.92074 -0.182249 GPRESSURE: 2828200 215.755 -240.8 112.423 -95.855 21.5708 -43.0989 101.097 -7.61499 68.281 PRESSAVG: 2828200 63.3663 4.66558 -29.3335 4.66551 -45.5729 16.6554 -29.3335 16.6554 -14.5427 GPRESSAVG: 2828200 63.3209 4.36544 -30.3825 4.53298 -44.9898 17.0677 -28.9261 14.584 -15.1535 TIMING: 2828200 CPU: 8206.65, 0.00290484/step Wall: 8206.65, 0.00290484/step, 1.75243 hours remaining, 206.156250 MB of memory in use. ENERGY: 2828200 693.7470 2088.7421 1957.2939 106.0140 -206432.9337 17921.0407 0.0000 0.0000 34181.6932 -149484.4029 298.5172 -183666.0961 -149389.5887 297.9701 66.3912 101.8689 556953.0820 1.0836 1.0592 LDB: ============= START OF LOAD BALANCING ============== 8210.12 LDB: ============== END OF LOAD BALANCING =============== 8210.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8210.12 LDB: ============= START OF LOAD BALANCING ============== 8210.41 LDB: Largest compute 4821 load 0.030626 is 26.0% of average load 0.117825 LDB: Average compute 0.001730 is 1.5% of average load 0.117825 LDB: TIME 8210.41 LOAD: AVG 0.117825 MAX 0.177439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.156 MB LDB: TIME 8210.41 LOAD: AVG 0.117825 MAX 0.177439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: TIME 8210.41 LOAD: AVG 0.117825 MAX 0.177439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8210.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8210.42 PRESSURE: 2828400 91.6188 104.37 -28.8219 104.368 -184.338 -102.154 -28.8222 -102.155 165.536 GPRESSURE: 2828400 102.034 79.4378 -66.5193 121.614 -136.149 -51.1778 -33.42 -72.7802 198.077 PRESSAVG: 2828400 37.6845 3.38357 -28.4467 3.38354 -39.017 -12.8893 -28.4467 -12.8893 9.68608 GPRESSAVG: 2828400 36.9334 4.21011 -27.2489 3.6352 -37.77 -12.434 -30.287 -11.0168 9.60757 TIMING: 2828400 CPU: 8207.24, 0.00293049/step Wall: 8207.24, 0.00293049/step, 1.76774 hours remaining, 206.703125 MB of memory in use. ENERGY: 2828400 732.2987 2060.2082 1978.0416 125.9928 -206404.8172 18041.1652 0.0000 0.0000 34138.7451 -149328.3656 298.1422 -183467.1107 -149232.1361 297.8580 24.2723 54.6541 558320.0902 2.7846 2.9237 PRESSURE: 2828600 -243.248 65.1283 68.0681 65.1284 -211.122 28.1223 68.0691 28.1236 -243.287 GPRESSURE: 2828600 -263.347 39.2142 9.3178 40.9064 -127.956 73.8183 85.7503 13.7722 -209.692 PRESSAVG: 2828600 53.3549 -21.4032 -55.0836 -21.4032 -103.491 22.0289 -55.0835 22.0289 68.4595 GPRESSAVG: 2828600 53.8258 -21.9513 -54.4011 -20.1405 -103.984 22.0356 -55.3841 24.1734 67.9347 TIMING: 2828600 CPU: 8207.82, 0.00287989/step Wall: 8207.82, 0.00287989/step, 1.73705 hours remaining, 206.945312 MB of memory in use. ENERGY: 2828600 731.5280 2102.5192 1949.6465 113.8411 -206130.2453 17684.2260 0.0000 0.0000 34154.2778 -149394.2066 298.2778 -183548.4844 -149302.3113 298.1843 -232.5522 -200.3315 558883.1209 6.1079 5.9253 PRESSURE: 2828800 -162.521 -99.4942 -65.819 -99.4934 -275.791 -42.1708 -65.8187 -42.1698 195.674 GPRESSURE: 2828800 -149.203 -78.5532 -45.7684 -120.108 -248.165 -107.994 55.5385 21.6858 244.569 PRESSAVG: 2828800 5.47923 38.007 -20.4632 38.007 -15.936 57.7134 -20.4632 57.7135 20.0272 GPRESSAVG: 2828800 5.73521 39.0509 -23.1988 36.4034 -16.7862 58.8866 -16.8993 56.9974 20.7847 TIMING: 2828800 CPU: 8208.4, 0.00290717/step Wall: 8208.4, 0.00290717/step, 1.75334 hours remaining, 206.945312 MB of memory in use. ENERGY: 2828800 723.1753 2073.7026 1962.7497 111.8233 -206147.8591 17575.4304 0.0000 0.0000 34137.2593 -149563.7185 298.1292 -183700.9779 -149470.0661 298.3041 -80.8795 -50.9329 556954.9353 3.1901 3.2446 PRESSURE: 2829000 15.6556 112.489 146.163 112.489 -413.058 66.0748 146.162 66.0745 94.8443 GPRESSURE: 2829000 82.6717 10.8361 203.663 124.541 -365.798 75.1506 152.95 81.1129 86.1348 PRESSAVG: 2829000 -10.1024 -11.6092 -5.42517 -11.6092 -46.1151 45.2467 -5.4252 45.2469 50.1775 GPRESSAVG: 2829000 -10.3622 -10.9659 -2.33585 -11.0813 -45.2056 44.5319 -7.31593 44.0313 49.3387 TIMING: 2829000 CPU: 8208.97, 0.00287854/step Wall: 8208.97, 0.00287854/step, 1.73592 hours remaining, 207.207031 MB of memory in use. ENERGY: 2829000 767.0336 2051.5713 1989.8601 110.7075 -206046.3665 17629.9482 0.0000 0.0000 34057.1523 -149440.0935 297.4296 -183497.2458 -149352.0951 298.6173 -100.8526 -65.6638 557847.7428 -2.0133 -2.0763 PRESSURE: 2829200 -45.1242 11.4449 246.882 11.4451 -225.655 -23.7905 246.881 -23.789 55.2853 GPRESSURE: 2829200 -27.5268 -41.5793 212.131 57.4219 -188.692 14.1025 243.21 -96.1669 82.2693 PRESSAVG: 2829200 6.75199 -13.5019 -16.1742 -13.5018 -84.7536 13.8958 -16.1743 13.8959 75.6622 GPRESSAVG: 2829200 7.55286 -12.6957 -18.7065 -15.5996 -85.8641 14.8132 -15.7873 14.7294 76.2585 TIMING: 2829200 CPU: 8209.55, 0.00287789/step Wall: 8209.55, 0.00287789/step, 1.73537 hours remaining, 207.207031 MB of memory in use. ENERGY: 2829200 753.2881 2096.0784 1966.7230 118.9176 -205997.6093 17690.2973 0.0000 0.0000 34001.5012 -149370.8037 296.9436 -183372.3050 -149269.9737 298.3956 -71.8311 -44.6497 557350.6239 -0.7798 -0.6842 PRESSURE: 2829400 -55.1259 89.5348 -107.25 89.536 -82.0541 -148.92 -107.251 -148.921 -56.2712 GPRESSURE: 2829400 29.2693 92.0484 -148.5 71.7381 -70.1369 -78.0914 -125.18 -179.945 -47.8422 PRESSAVG: 2829400 1.32583 16.7976 -44.5602 16.7975 -49.6568 27.7865 -44.5602 27.7866 26.2506 GPRESSAVG: 2829400 0.641924 15.1985 -42.5942 18.116 -49.9448 27.4555 -46.7103 26.0673 26.8934 TIMING: 2829400 CPU: 8210.13, 0.00288922/step Wall: 8210.13, 0.00288922/step, 1.74204 hours remaining, 207.207031 MB of memory in use. ENERGY: 2829400 754.6577 2045.2206 1945.0980 111.3496 -205789.1277 17565.8857 0.0000 0.0000 34266.8976 -149100.0184 299.2613 -183366.9160 -148998.7953 298.8909 -64.4837 -29.5699 557851.7085 -7.3601 -7.4699 PRESSURE: 2829600 35.9999 51.6517 76.8632 51.6518 5.81109 -166.654 76.8629 -166.653 155.75 GPRESSURE: 2829600 82.5262 108.194 100.272 45.2748 114.89 -130.61 84.2775 -132.356 108.475 PRESSAVG: 2829600 -102.512 -5.61678 5.04174 -5.61679 -59.2399 -31.7225 5.04182 -31.7225 118.58 GPRESSAVG: 2829600 -102.75 -4.07558 4.1357 -4.72464 -59.2574 -32.4318 5.36256 -30.8955 118.377 TIMING: 2829600 CPU: 8210.71, 0.0028909/step Wall: 8210.71, 0.0028909/step, 1.74289 hours remaining, 207.207031 MB of memory in use. ENERGY: 2829600 745.4940 2060.3875 1947.1868 119.9549 -206175.7838 17758.8172 0.0000 0.0000 34546.0262 -148997.9171 301.6990 -183543.9433 -148897.4283 300.4482 65.8538 101.9639 558332.5813 -14.3907 -14.5438 PRESSURE: 2829800 -34.659 -13.4464 -3.84463 -13.4461 -15.7713 -69.5376 -3.84433 -69.5387 18.831 GPRESSURE: 2829800 -15.0545 30.9479 -62.6257 28.2182 75.4014 -78.6525 38.8753 -41.4372 -1.66568 PRESSAVG: 2829800 -44.6795 38.4985 25.7076 38.4984 19.0956 -69.1986 25.7077 -69.1987 0.323617 GPRESSAVG: 2829800 -45.0089 35.4065 26.3969 38.2339 19.6146 -70.4799 26.6371 -69.46 -0.0438108 TIMING: 2829800 CPU: 8211.28, 0.00288464/step Wall: 8211.28, 0.00288464/step, 1.73896 hours remaining, 207.207031 MB of memory in use. ENERGY: 2829800 722.3102 2077.8284 1966.2870 104.1782 -205773.3242 17667.0519 0.0000 0.0000 34243.2842 -148992.3841 299.0551 -183235.6683 -148897.2124 299.8436 -10.5331 19.5604 558234.2841 -8.4201 -8.4794 PRESSURE: 2830000 -117.105 135.507 80.0119 135.508 -67.8395 50.9976 80.0108 50.9968 -19.9059 GPRESSURE: 2830000 -77.5257 39.3992 102.638 109.293 -50.7575 12.402 81.7831 139.069 12.5189 PRESSAVG: 2830000 -59.8852 6.53775 -40.7567 6.53768 20.345 -32.5477 -40.7568 -32.5476 0.631039 GPRESSAVG: 2830000 -60.1641 7.10449 -41.1142 7.78587 20.5015 -31.0876 -40.991 -32.9366 0.0199962 TIMING: 2830000 CPU: 8211.86, 0.00287954/step Wall: 8211.86, 0.00287954/step, 1.73573 hours remaining, 207.207031 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: 2830000 737.3632 2066.1918 1973.6494 112.6175 -205938.6786 17658.5971 0.0000 0.0000 34213.6813 -149176.5782 298.7966 -183390.2595 -149082.0237 299.4549 -68.2836 -38.5881 558190.4128 -12.9697 -13.2142 PRESSURE: 2830200 -223.357 122.093 219.961 122.092 -115.705 3.20752 219.96 3.20753 -86.8904 GPRESSURE: 2830200 -220.984 110.293 205.595 85.8386 -40.8436 -64.6953 232.036 63.7361 -65.6942 PRESSAVG: 2830200 -20.7256 -1.20746 7.74674 -1.20739 36.163 -43.112 7.74673 -43.1119 -2.24333 GPRESSAVG: 2830200 -21.2842 0.0464998 8.76801 -2.55924 36.0084 -42.9588 9.93793 -42.0374 -1.83661 TIMING: 2830200 CPU: 8212.44, 0.00290158/step Wall: 8212.44, 0.00290158/step, 1.74885 hours remaining, 207.207031 MB of memory in use. ENERGY: 2830200 746.7900 2099.1120 1960.1623 120.7713 -206148.1698 17619.4025 0.0000 0.0000 34291.6721 -149310.2596 299.4777 -183601.9317 -149208.8597 299.1322 -141.9841 -109.1738 558913.5030 4.3980 4.2959 PRESSURE: 2830400 -169.458 -61.8621 176.814 -61.8625 -54.0995 66.8499 176.814 66.8489 57.4112 GPRESSURE: 2830400 -116.467 -49.6146 181.614 -18.4337 -64.6529 77.0622 124.622 99.4874 111.981 PRESSAVG: 2830400 -27.4814 15.9747 -35.3352 15.9747 -45.6151 24.7164 -35.3352 24.7164 94.6015 GPRESSAVG: 2830400 -26.6782 15.8609 -36.1541 16.1328 -46.2717 25.7684 -36.2612 24.5941 94.8848 TIMING: 2830400 CPU: 8213.02, 0.00289114/step Wall: 8213.02, 0.00289114/step, 1.74239 hours remaining, 207.207031 MB of memory in use. ENERGY: 2830400 710.0868 2123.9215 1973.3756 110.0955 -206154.8699 17813.9996 0.0000 0.0000 34190.0777 -149233.3132 298.5905 -183423.3909 -149134.2476 298.8827 -55.3823 -23.0462 558721.1704 7.1684 7.3116 PRESSURE: 2830600 -410.152 -37.235 -42.2695 -37.2348 -364.42 -53.4325 -42.2679 -53.433 -305.67 GPRESSURE: 2830600 -401.399 -46.542 -28.3518 -61.1623 -320.241 -107.227 35.1418 8.57782 -269.784 PRESSAVG: 2830600 -56.3623 -3.13195 7.98341 -3.13188 -13.2394 -38.0457 7.98341 -38.0458 79.6026 GPRESSAVG: 2830600 -55.9528 -3.57839 8.64669 -3.12292 -12.2179 -38.6178 6.97638 -37.9091 78.5711 TIMING: 2830600 CPU: 8213.59, 0.00287145/step Wall: 8213.59, 0.00287145/step, 1.73037 hours remaining, 207.207031 MB of memory in use. ENERGY: 2830600 762.2616 2045.2997 1972.2529 109.7497 -205874.7948 17565.0203 0.0000 0.0000 34115.7257 -149304.4850 297.9411 -183420.2107 -149211.0840 298.7041 -360.0806 -330.4746 559300.1069 3.3336 3.4668 PRESSURE: 2830800 91.0795 67.8991 25.2006 67.8997 -15.3205 -13.6823 25.199 -13.6822 -92.1416 GPRESSURE: 2830800 116.984 23.8399 13.3485 61.6755 -13.1176 6.19459 77.344 -88.2365 -29.4158 PRESSAVG: 2830800 -7.12244 56.671 9.53649 56.6709 -38.9306 -3.14673 9.53635 -3.14672 16.7375 GPRESSAVG: 2830800 -8.73388 57.814 7.66763 57.1591 -39.0546 -5.0801 10.4003 -2.52131 18.1916 TIMING: 2830800 CPU: 8214.17, 0.00289788/step Wall: 8214.17, 0.00289788/step, 1.74613 hours remaining, 207.207031 MB of memory in use. ENERGY: 2830800 742.6550 2082.6840 1973.6476 117.9401 -206302.2327 17945.6161 0.0000 0.0000 34231.0306 -149208.6592 298.9481 -183439.6899 -149119.4787 299.0487 -5.4609 24.8170 558582.6345 -9.7719 -9.8656 PRESSURE: 2831000 -93.1281 23.4268 69.0187 23.4264 -153.736 31.1607 69.0192 31.1595 -90.9432 GPRESSURE: 2831000 -49.6023 37.5956 -14.4972 47.1349 -180.701 26.9793 62.3165 32.2785 -20.0157 PRESSAVG: 2831000 11.971 8.0084 -5.76676 8.00837 2.34121 4.66307 -5.76672 4.66297 -42.6518 GPRESSAVG: 2831000 13.1871 6.17731 -5.02969 7.46756 2.56553 7.15644 -6.16075 3.15221 -44.5626 TIMING: 2831000 CPU: 8214.75, 0.00288135/step Wall: 8214.75, 0.00288135/step, 1.73601 hours remaining, 207.207031 MB of memory in use. ENERGY: 2831000 780.7032 2059.2983 1981.8518 122.6028 -206279.6552 17732.3697 0.0000 0.0000 34312.2754 -149290.5538 299.6576 -183602.8292 -149194.6471 298.8164 -112.6025 -83.4397 557506.0180 -9.4465 -9.6033 PRESSURE: 2831200 -158.788 -58.4311 44.4124 -58.4316 -143.227 -202.354 44.412 -202.352 14.9857 GPRESSURE: 2831200 -158.36 -156.786 50.135 7.90931 -50.7245 -176.6 13.1579 -217.057 32.4313 PRESSAVG: 2831200 -18.6249 -7.77161 48.6351 -7.77155 -41.0058 -30.6144 48.6351 -30.6145 94.0361 GPRESSAVG: 2831200 -19.6449 -8.16997 48.9184 -6.60853 -41.2069 -32.0218 48.9865 -30.5505 95.396 TIMING: 2831200 CPU: 8215.32, 0.00287867/step Wall: 8215.32, 0.00287867/step, 1.73424 hours remaining, 207.207031 MB of memory in use. ENERGY: 2831200 725.4142 2036.5789 1965.1365 122.0715 -206026.1114 17846.5965 0.0000 0.0000 34075.4045 -149254.9093 297.5890 -183330.3138 -149156.0544 299.2468 -95.6763 -58.8843 558781.4897 11.4685 11.5147 PRESSURE: 2831400 -249.151 41.3123 -3.48945 41.3118 40.8169 52.4546 -3.48871 52.4543 176.831 GPRESSURE: 2831400 -181.854 138.951 37.2489 -29.933 65.744 11.0941 -68.7479 7.60249 174.737 PRESSAVG: 2831400 0.135567 -0.997522 -1.08435 -0.997488 10.1711 -45.6735 -1.08419 -45.6734 22.6642 GPRESSAVG: 2831400 0.558096 -0.491557 -1.97481 -1.00062 10.3781 -45.7041 0.261673 -44.6677 22.2881 TIMING: 2831400 CPU: 8215.89, 0.00285842/step Wall: 8215.89, 0.00285842/step, 1.72188 hours remaining, 207.207031 MB of memory in use. ENERGY: 2831400 725.7042 2121.4916 1973.5383 97.6517 -206286.7002 17798.4641 0.0000 0.0000 34264.3857 -149305.4645 299.2394 -183569.8503 -149209.4583 299.1460 -10.5010 19.5424 557974.5653 10.9903 11.0748 PRESSURE: 2831600 -248.632 -44.0487 -47.7545 -44.0496 -354.846 50.8724 -47.7543 50.8729 -136.748 GPRESSURE: 2831600 -185.008 -66.7162 54.8588 -114.259 -273.258 -18.6479 -34.7686 42.654 -184.954 PRESSAVG: 2831600 -86.7599 -51.3795 15.1748 -51.3794 36.6391 10.2097 15.1748 10.2096 20.8722 GPRESSAVG: 2831600 -86.5492 -50.8559 16.076 -53.0571 35.7014 9.23604 15.7171 8.41848 21.7251 TIMING: 2831600 CPU: 8216.47, 0.00285602/step Wall: 8216.47, 0.00285602/step, 1.72028 hours remaining, 207.273438 MB of memory in use. ENERGY: 2831600 736.9685 2070.9213 1972.7431 124.1457 -205790.4651 17463.2342 0.0000 0.0000 34252.8497 -149169.6024 299.1387 -183422.4522 -149072.5214 298.3054 -246.7420 -214.4068 557267.6516 -9.7495 -9.7076 PRESSURE: 2831800 98.8399 -39.0566 -3.6284 -39.0558 -55.2608 -105.123 -3.62766 -105.123 14.8144 GPRESSURE: 2831800 126.706 -22.302 -8.48793 -33.8781 5.71435 -138.434 -9.75913 -48.863 37.5421 PRESSAVG: 2831800 -25.0222 -9.04485 -0.103952 -9.045 -20.4191 3.10718 -0.103999 3.10704 68.0725 GPRESSAVG: 2831800 -24.8489 -7.60648 -0.394826 -8.51346 -20.0667 4.85904 -0.481865 3.67886 67.4899 TIMING: 2831800 CPU: 8217.04, 0.0028587/step Wall: 8217.04, 0.0028587/step, 1.72173 hours remaining, 207.273438 MB of memory in use. ENERGY: 2831800 756.4040 2050.2069 1942.9905 119.7471 -206269.1848 17872.8266 0.0000 0.0000 34291.9569 -149235.0528 299.4802 -183527.0097 -149137.1881 299.5772 19.4645 56.6543 555111.4943 7.5437 7.5248 PRESSURE: 2832000 -84.3709 -101.321 146.942 -101.322 157.428 -127.71 146.942 -127.709 90.142 GPRESSURE: 2832000 -63.8192 -108.739 58.9362 -164.725 216.598 -105.575 75.824 -122.489 105.305 PRESSAVG: 2832000 13.3808 -24.9401 64.6221 -24.9402 5.57832 -51.5584 64.6221 -51.5583 31.793 GPRESSAVG: 2832000 13.0931 -25.7416 64.3151 -23.9109 5.92635 -52.9141 64.0821 -49.1024 31.7373 TIMING: 2832000 CPU: 8217.61, 0.00287451/step Wall: 8217.61, 0.00287451/step, 1.73109 hours remaining, 207.273438 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: 2832000 727.3047 2105.5872 1946.4490 115.0679 -206183.8694 17919.4653 0.0000 0.0000 34129.1233 -149240.8720 298.0581 -183369.9954 -149139.9750 298.6394 54.3996 86.0277 556793.5177 16.9174 16.9189 PRESSURE: 2832200 170.468 123.912 156.127 123.912 -125.352 143.123 156.127 143.124 49.7707 GPRESSURE: 2832200 134.33 107.04 146.877 113.371 -102.123 151.102 177.672 55.1202 152.389 PRESSAVG: 2832200 -53.8831 29.8886 39.7942 29.8886 -16.5651 -42.8725 39.7942 -42.8725 56.3998 GPRESSAVG: 2832200 -53.3682 31.0315 39.8712 28.9124 -17.5528 -41.595 41.0113 -44.7831 57.4756 TIMING: 2832200 CPU: 8218.19, 0.00287897/step Wall: 8218.19, 0.00287897/step, 1.73362 hours remaining, 207.273438 MB of memory in use. ENERGY: 2832200 712.5283 2081.8768 1971.0834 99.7230 -205995.7946 17731.7635 0.0000 0.0000 34243.4421 -149155.3776 299.0565 -183398.8196 -149062.6275 299.5079 31.6289 61.5322 556956.0576 -4.6828 -4.4818 LDB: ============= START OF LOAD BALANCING ============== 8221.65 LDB: ============== END OF LOAD BALANCING =============== 8221.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8221.65 LDB: ============= START OF LOAD BALANCING ============== 8221.94 LDB: Largest compute 4821 load 0.031063 is 26.4% of average load 0.117681 LDB: Average compute 0.001722 is 1.5% of average load 0.117681 LDB: TIME 8221.95 LOAD: AVG 0.117681 MAX 0.177565 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 8221.95 LOAD: AVG 0.117681 MAX 0.177565 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: TIME 8221.95 LOAD: AVG 0.117681 MAX 0.177565 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.855 MB LDB: ============== END OF LOAD BALANCING =============== 8221.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8221.95 PRESSURE: 2832400 -129.101 98.8333 -163.809 98.8321 -317.865 -133.122 -163.809 -133.122 -190.613 GPRESSURE: 2832400 -104.462 129.701 -192.559 69.5327 -251.638 -105.484 -130.3 -143.563 -178.313 PRESSAVG: 2832400 46.2433 36.1731 13.0697 36.1731 16.1987 -33.5817 13.0697 -33.5817 -56.8143 GPRESSAVG: 2832400 45.5266 34.2045 12.7796 36.8146 16.91 -34.2134 11.5508 -33.4204 -57.2459 TIMING: 2832400 CPU: 8218.78, 0.00294624/step Wall: 8218.78, 0.00294624/step, 1.77396 hours remaining, 207.160156 MB of memory in use. ENERGY: 2832400 737.3061 2112.3571 1949.6123 107.3567 -205931.0689 17373.7897 0.0000 0.0000 34319.6894 -149330.9579 299.7224 -183650.6472 -149233.6923 299.5657 -212.5264 -178.1375 557030.3363 1.8759 1.7302 PRESSURE: 2832600 126.737 -30.3469 -78.8066 -30.3466 -208.625 68.8416 -78.8069 68.8433 60.1078 GPRESSURE: 2832600 141.246 -27.9568 -46.7473 -40.0493 -203.826 100.075 -76.5887 88.7267 142.229 PRESSAVG: 2832600 21.1043 -32.6453 -7.89904 -32.6453 -0.487888 -16.4637 -7.89896 -16.4638 1.68082 GPRESSAVG: 2832600 22.0225 -31.7284 -7.32425 -31.6637 -0.982445 -17.7961 -7.70014 -13.1766 1.14632 TIMING: 2832600 CPU: 8219.35, 0.00287887/step Wall: 8219.35, 0.00287887/step, 1.73324 hours remaining, 207.269531 MB of memory in use. ENERGY: 2832600 725.9452 2105.6366 1940.9436 102.2346 -206177.0604 17796.7147 0.0000 0.0000 34250.5756 -149255.0102 299.1188 -183505.5858 -149157.7421 299.0742 -7.2599 26.5496 555317.8389 7.4324 7.3955 PRESSURE: 2832800 -93.206 74.8486 65.0703 74.8491 98.1353 -311.98 65.0704 -311.979 -372.259 GPRESSURE: 2832800 -27.7825 93.1331 16.323 -22.3393 146.688 -330.564 98.0181 -213.019 -392.12 PRESSAVG: 2832800 -37.0828 39.8118 -25.2675 39.8118 31.1975 2.85915 -25.2675 2.85904 -8.49209 GPRESSAVG: 2832800 -37.5723 39.9997 -26.5624 38.2488 31.3919 4.06046 -26.4348 1.83627 -7.90806 TIMING: 2832800 CPU: 8219.93, 0.00286217/step Wall: 8219.93, 0.00286217/step, 1.72302 hours remaining, 207.269531 MB of memory in use. ENERGY: 2832800 721.9415 2141.8353 1940.2666 120.9777 -205794.4725 17363.9061 0.0000 0.0000 34243.0493 -149262.4960 299.0531 -183505.5453 -149168.1239 299.1805 -122.4433 -91.0715 555390.9989 -4.7925 -4.6961 PRESSURE: 2833000 73.9372 -20.8323 -8.61693 -20.8328 9.30221 34.0054 -8.61689 34.0057 -296.771 GPRESSURE: 2833000 67.2709 -19.7624 75.5189 -18.3319 42.3973 23.7152 -81.5386 124.656 -224.668 PRESSAVG: 2833000 19.469 -0.00946266 14.2975 -0.00949963 80.2305 -19.8992 14.2976 -19.8994 -78.92 GPRESSAVG: 2833000 18.3 0.00839462 15.8781 -1.01866 80.5599 -20.2317 15.9238 -19.9277 -78.2615 TIMING: 2833000 CPU: 8220.5, 0.00287739/step Wall: 8220.5, 0.00287739/step, 1.73203 hours remaining, 207.269531 MB of memory in use. ENERGY: 2833000 755.3107 2108.5205 1963.5528 119.2201 -206068.4701 17600.3271 0.0000 0.0000 34197.0098 -149324.5291 298.6510 -183521.5389 -149229.3945 299.1095 -71.1770 -38.3333 555173.8406 6.9265 6.8662 PRESSURE: 2833200 -384.737 48.7101 40.5112 48.7104 67.6032 -180.528 40.5114 -180.528 -429.608 GPRESSURE: 2833200 -364.419 64.2598 79.4392 18.602 64.1936 -114.917 61.1752 -220.971 -345.394 PRESSAVG: 2833200 -46.2177 -20.1819 4.38717 -20.182 35.965 16.5733 4.38717 16.5733 0.150049 GPRESSAVG: 2833200 -45.4924 -18.6449 3.34788 -20.809 35.4699 15.8178 5.22878 16.1268 0.226799 TIMING: 2833200 CPU: 8221.08, 0.00287323/step Wall: 8221.08, 0.00287323/step, 1.72937 hours remaining, 207.269531 MB of memory in use. ENERGY: 2833200 739.4090 2149.0858 1981.8116 112.6778 -205743.1601 17443.3276 0.0000 0.0000 34156.8365 -149160.0119 298.3001 -183316.8483 -149066.1682 299.6601 -248.9140 -215.2064 558979.5845 -3.3676 -3.2652 PRESSURE: 2833400 -69.8861 118.722 150.791 118.723 -210.996 -122.421 150.791 -122.421 71.8308 GPRESSURE: 2833400 0.671699 137.739 91.6185 109.174 -249.445 -42.2579 158.855 -122.185 133.652 PRESSAVG: 2833400 -37.3922 -13.8839 38.9743 -13.8838 -15.7977 2.99498 38.9745 2.99493 57.2325 GPRESSAVG: 2833400 -37.4398 -14.1232 40.5158 -11.0671 -15.7184 3.69157 37.9637 1.83749 57.0504 TIMING: 2833400 CPU: 8221.65, 0.00289614/step Wall: 8221.65, 0.00289614/step, 1.74299 hours remaining, 207.269531 MB of memory in use. ENERGY: 2833400 735.7932 2124.4202 1998.3329 115.3497 -206342.1474 17804.9290 0.0000 0.0000 34329.5740 -149233.7485 299.8087 -183563.3225 -149139.1677 299.4897 -69.6837 -38.3739 557689.2088 1.3475 1.2974 PRESSURE: 2833600 -301.876 32.5494 80.3968 32.5502 -184.739 -46.9228 80.3968 -46.9233 -67.977 GPRESSURE: 2833600 -270.266 27.7158 164.291 -38.4701 -93.552 -8.14038 0.636751 -50.1201 -92.6467 PRESSAVG: 2833600 -36.7537 -2.30564 29.5003 -2.3056 -16.4777 -34.7268 29.5002 -34.7268 23.3966 GPRESSAVG: 2833600 -36.3401 -4.64268 28.6162 -2.20258 -16.0402 -33.8442 28.5783 -35.5301 22.8317 TIMING: 2833600 CPU: 8222.24, 0.00291465/step Wall: 8222.24, 0.00291465/step, 1.75397 hours remaining, 207.269531 MB of memory in use. ENERGY: 2833600 700.2812 2178.3987 1966.4962 119.7793 -206130.2393 17665.6944 0.0000 0.0000 34158.4826 -149341.1069 298.3145 -183499.5895 -149246.3484 299.7111 -184.8639 -152.1549 558207.2884 -9.9449 -9.8495 PRESSURE: 2833800 -90.347 -107.632 35.3674 -107.632 -120.063 -88.0925 35.3666 -88.0913 -22.8513 GPRESSURE: 2833800 -118.041 -111.923 140.04 -117.921 -40.1904 -71.1557 67.5493 -52.4999 23.4185 PRESSAVG: 2833800 -24.0914 10.3977 -70.5811 10.3978 -0.0512505 -42.9183 -70.5812 -42.9183 0.843243 GPRESSAVG: 2833800 -25.0185 15.1536 -68.6812 9.47825 0.124857 -44.052 -71.4198 -41.8261 1.7041 TIMING: 2833800 CPU: 8222.81, 0.00288366/step Wall: 8222.81, 0.00288366/step, 1.73516 hours remaining, 207.269531 MB of memory in use. ENERGY: 2833800 730.6042 2069.6178 1960.4274 109.1558 -206575.8375 17945.6137 0.0000 0.0000 34299.1756 -149461.2428 299.5432 -183760.4184 -149360.9933 298.9741 -77.7536 -44.9376 557884.4432 -7.7665 -7.7298 PRESSURE: 2834000 -232.389 14.4486 -45.9266 14.4469 -216.829 10.4656 -45.9267 10.4667 -171.86 GPRESSURE: 2834000 -209.225 -96.6122 -7.15487 53.6806 -185.368 -14.0449 -145.947 87.7568 -123.115 PRESSAVG: 2834000 -49.9827 5.23436 49.9134 5.23432 -24.7097 -22.5673 49.9134 -22.5675 61.5771 GPRESSAVG: 2834000 -50.1648 4.94594 46.2871 3.17374 -25.0346 -22.5504 52.2554 -22.4596 61.8832 TIMING: 2834000 CPU: 8223.39, 0.00289696/step Wall: 8223.39, 0.00289696/step, 1.743 hours remaining, 207.269531 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: 2834000 721.8156 2129.6748 1960.3858 124.2206 -206008.9697 17613.7090 0.0000 0.0000 34279.8512 -149179.3127 299.3745 -183459.1639 -149086.7430 298.9545 -207.0260 -172.5694 558468.9789 -4.3718 -4.4387 PRESSURE: 2834200 133.433 -126.339 -68.0187 -126.337 -169.69 -48.6025 -68.0189 -48.6035 97.7708 GPRESSURE: 2834200 229.259 -144.944 -74.288 -53.5802 -137.225 -86.6123 17.5995 -1.85724 83.3925 PRESSAVG: 2834200 -22.7817 -47.536 -25.189 -47.536 -3.5683 15.5405 -25.189 15.5405 -20.015 GPRESSAVG: 2834200 -21.9521 -48.2467 -24.0705 -46.5922 -3.44645 16.7412 -25.9204 14.6108 -21.2486 TIMING: 2834200 CPU: 8223.97, 0.00288045/step Wall: 8223.97, 0.00288045/step, 1.73291 hours remaining, 207.269531 MB of memory in use. ENERGY: 2834200 715.0879 2086.5358 1962.4362 129.8127 -206138.2738 17751.0142 0.0000 0.0000 34278.7440 -149214.6430 299.3648 -183493.3870 -149112.3531 299.3569 20.5046 58.4756 556964.9311 -15.4550 -15.5491 PRESSURE: 2834400 182.66 -5.73628 92.1801 -5.73632 9.01289 -74.7221 92.1796 -74.7224 27.4162 GPRESSURE: 2834400 189.819 43.4685 141.502 5.38161 63.8307 -34.9604 101.194 -39.082 61.414 PRESSAVG: 2834400 6.66557 -17.3294 -50.1423 -17.3293 7.34375 -7.52114 -50.1423 -7.52113 2.47992 GPRESSAVG: 2834400 7.44533 -17.768 -47.3608 -16.6213 6.62514 -8.46405 -51.0717 -8.02955 2.95774 TIMING: 2834400 CPU: 8224.55, 0.00287638/step Wall: 8224.55, 0.00287638/step, 1.7303 hours remaining, 207.269531 MB of memory in use. ENERGY: 2834400 748.1529 2046.0324 1973.5359 117.6870 -206295.1456 17886.6426 0.0000 0.0000 34177.8457 -149345.2492 298.4836 -183523.0949 -149240.6938 299.3063 73.0298 105.0212 557684.5061 5.4964 5.6761 PRESSURE: 2834600 -116.537 35.3303 -24.9997 35.328 51.3428 103.594 -24.9986 103.597 -217.13 GPRESSURE: 2834600 -74.7036 12.1409 -35.6629 36.9925 107.495 47.0554 -46.1693 115.763 -202.782 PRESSAVG: 2834600 -2.29883 34.3454 1.25408 34.3454 52.0027 0.0896681 1.25408 0.0896903 -30.0906 GPRESSAVG: 2834600 -2.24176 33.8453 0.344383 32.2098 53.5823 0.693644 -0.0292543 0.491705 -30.9904 TIMING: 2834600 CPU: 8225.12, 0.00286461/step Wall: 8225.12, 0.00286461/step, 1.72306 hours remaining, 207.269531 MB of memory in use. ENERGY: 2834600 724.7846 2096.5954 1980.2931 117.4861 -206041.0136 17816.5382 0.0000 0.0000 34037.6087 -149267.7075 297.2589 -183305.3163 -149172.4981 298.0972 -94.1082 -56.6635 558970.7131 6.5377 6.7834 PRESSURE: 2834800 -226.628 75.0115 117.453 75.0124 -62.0605 24.4892 117.454 24.4876 52.2146 GPRESSURE: 2834800 -203.998 97.0054 53.2125 41.1619 -80.4132 55.4797 170.79 -79.322 142.922 PRESSAVG: 2834800 1.48269 4.22954 68.8236 4.22956 -7.78147 -65.1027 68.8236 -65.1028 -15.1165 GPRESSAVG: 2834800 1.58956 4.10536 67.5109 3.51164 -8.76487 -63.2473 72.5085 -66.6384 -14.377 TIMING: 2834800 CPU: 8225.69, 0.00287283/step Wall: 8225.69, 0.00287283/step, 1.72785 hours remaining, 207.269531 MB of memory in use. ENERGY: 2834800 737.8453 2035.8907 1957.4137 111.7039 -206077.6567 17649.1008 0.0000 0.0000 34307.3287 -149278.3736 299.6144 -183585.7023 -149183.2057 299.1789 -78.8248 -47.1632 558843.0011 -7.1384 -7.1841 PRESSURE: 2835000 -176.758 -365.401 -107.169 -365.402 -233.674 44.3287 -107.17 44.3282 -201.695 GPRESSURE: 2835000 -199.808 -419.52 -115.87 -256.67 -181.727 59.8293 -90.9325 119.927 -140.072 PRESSAVG: 2835000 32.6199 13.8564 42.5584 13.8564 -59.9425 0.135128 42.5584 0.135037 0.976012 GPRESSAVG: 2835000 31.9665 13.4478 42.1515 16.0063 -58.7276 -3.36072 42.2301 1.23346 0.430423 TIMING: 2835000 CPU: 8226.27, 0.00290542/step Wall: 8226.27, 0.00290542/step, 1.74729 hours remaining, 207.269531 MB of memory in use. ENERGY: 2835000 745.5336 2092.2050 1913.6082 123.4125 -206361.4975 17853.6625 0.0000 0.0000 34167.2217 -149465.8541 298.3908 -183633.0758 -149368.3711 298.8362 -204.0424 -173.8689 559775.3935 -8.7822 -8.7769 PRESSURE: 2835200 -2.13634 -35.8333 80.5373 -35.8334 -212.636 98.7547 80.5377 98.7537 -274.53 GPRESSURE: 2835200 53.1072 20.9683 22.1368 -6.67406 -219.179 90.0679 58.1222 69.2491 -225.218 PRESSAVG: 2835200 1.56671 -57.6423 9.11902 -57.6423 -51.3346 49.9152 9.11915 49.9152 39.4708 GPRESSAVG: 2835200 0.591 -57.4802 6.86719 -58.3136 -51.3489 50.2002 9.26365 50.7228 40.4662 TIMING: 2835200 CPU: 8226.86, 0.00290669/step Wall: 8226.86, 0.00290669/step, 1.74789 hours remaining, 207.269531 MB of memory in use. ENERGY: 2835200 718.7370 2083.3173 1955.1373 104.1810 -206033.2520 17599.3646 0.0000 0.0000 33999.7662 -149572.7486 296.9284 -183572.5148 -149475.5311 298.2937 -163.1007 -130.4299 558508.7140 -3.4324 -3.4305 PRESSURE: 2835400 -55.7094 -183.405 -66.2801 -183.404 45.311 -82.5314 -66.2795 -82.5307 212.336 GPRESSURE: 2835400 -22.9205 -115.325 -46.426 -167.755 104.429 -62.4486 -117.21 -61.5212 234.465 PRESSAVG: 2835400 -25.7625 -21.904 46.7701 -21.904 10.8681 -19.3449 46.7702 -19.3448 21.5605 GPRESSAVG: 2835400 -25.4628 -23.0103 47.7784 -21.7908 11.1351 -19.5991 46.3205 -18.2322 21.0575 TIMING: 2835400 CPU: 8227.43, 0.00289222/step Wall: 8227.43, 0.00289222/step, 1.73903 hours remaining, 207.269531 MB of memory in use. ENERGY: 2835400 727.6905 2032.2156 1959.3070 96.3245 -206601.7967 17908.3462 0.0000 0.0000 34342.5313 -149535.3816 299.9219 -183877.9129 -149440.1921 297.5947 67.3124 105.3246 556790.2836 2.2220 2.2433 PRESSURE: 2835600 262.997 -166.185 145.133 -166.185 49.0817 -44.9578 145.133 -44.957 1.78301 GPRESSURE: 2835600 274.748 -94.2646 80.4929 -207.657 73.5972 -31.5301 106.85 -1.16247 60.1332 PRESSAVG: 2835600 -70.2013 26.837 7.16622 26.837 17.6711 -9.42993 7.16618 -9.42987 39.2343 GPRESSAVG: 2835600 -69.4021 27.6722 6.66649 26.7145 16.8824 -8.98992 7.52756 -9.60166 39.0488 TIMING: 2835600 CPU: 8228.02, 0.0029087/step Wall: 8228.02, 0.0029087/step, 1.74877 hours remaining, 207.269531 MB of memory in use. ENERGY: 2835600 740.9744 2028.6107 1934.3147 101.1375 -206720.0042 18129.4692 0.0000 0.0000 34291.3119 -149494.1857 299.4746 -183785.4977 -149390.1702 297.8705 104.6206 136.1593 556795.0015 -4.4320 -4.4903 PRESSURE: 2835800 -145.671 -218.323 16.244 -218.322 224.266 -201.549 16.2452 -201.55 -239.875 GPRESSURE: 2835800 -108.833 -177.298 -61.5556 -184.28 209.301 -200.37 9.68413 -222.088 -182.764 PRESSAVG: 2835800 0.133318 -6.49023 -23.1939 -6.49029 -14.3225 -41.9636 -23.1939 -41.9635 13.8744 GPRESSAVG: 2835800 0.524091 -8.00605 -22.7718 -4.82947 -15.5854 -41.9397 -23.2685 -42.6717 14.6799 TIMING: 2835800 CPU: 8228.6, 0.00290009/step Wall: 8228.6, 0.00290009/step, 1.74344 hours remaining, 207.269531 MB of memory in use. ENERGY: 2835800 759.3690 2015.7993 1935.5259 115.9569 -206690.3817 17948.6002 0.0000 0.0000 34276.3203 -149638.8101 299.3436 -183915.1304 -149542.0662 297.9640 -53.7601 -27.4322 558849.7253 -0.1049 -0.1271 PRESSURE: 2836000 -134.805 132.191 -48.8791 132.191 -109.797 104.685 -48.879 104.685 371.6 GPRESSURE: 2836000 -93.4101 66.7249 -98.1714 204.52 -136.188 98.2004 -5.41589 148.133 461.021 PRESSAVG: 2836000 -5.50404 -23.5387 -3.91802 -23.5387 -0.109557 -0.805808 -3.91799 -0.805778 18.6512 GPRESSAVG: 2836000 -5.19842 -21.6335 -4.43957 -22.8815 -0.736186 -1.86644 -2.32644 -0.326286 18.5505 TIMING: 2836000 CPU: 8229.18, 0.00289832/step Wall: 8229.18, 0.00289832/step, 1.74221 hours remaining, 207.269531 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: 2836000 751.8999 2026.4896 1926.6636 121.2154 -206459.7194 17986.8397 0.0000 0.0000 34119.2517 -149527.3595 297.9719 -183646.6112 -149421.1239 298.0133 42.3329 77.1411 557835.1261 4.3459 4.2053 PRESSURE: 2836200 -78.7774 -65.9418 60.9079 -65.9436 -81.7029 22.6315 60.9099 22.6315 20.5045 GPRESSURE: 2836200 -83.0296 -101.257 91.0216 -55.2641 -23.1891 5.83807 12.1521 26.1575 54.766 PRESSAVG: 2836200 -37.4579 53.102 -27.8517 53.102 30.0472 14.3656 -27.8516 14.3656 -17.3526 GPRESSAVG: 2836200 -39.0121 50.1631 -25.6234 51.9739 32.7091 14.6999 -29.7697 15.5947 -18.2283 TIMING: 2836200 CPU: 8229.75, 0.00288355/step Wall: 8229.75, 0.00288355/step, 1.73317 hours remaining, 207.562500 MB of memory in use. ENERGY: 2836200 774.2151 2023.3426 1957.5214 116.5881 -206638.8401 17793.9507 0.0000 0.0000 34424.1724 -149549.0497 300.6349 -183973.2221 -149452.1469 298.3782 -46.6586 -17.1509 556432.8429 -8.2544 -8.1771 LDB: ============= START OF LOAD BALANCING ============== 8233.22 LDB: ============== END OF LOAD BALANCING =============== 8233.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8233.22 LDB: ============= START OF LOAD BALANCING ============== 8233.51 LDB: Largest compute 4821 load 0.033166 is 28.2% of average load 0.117743 LDB: Average compute 0.001734 is 1.5% of average load 0.117743 LDB: TIME 8233.51 LOAD: AVG 0.117743 MAX 0.17514 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 8233.51 LOAD: AVG 0.117743 MAX 0.17514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 8233.51 LOAD: AVG 0.117743 MAX 0.17514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8233.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8233.52 PRESSURE: 2836400 -35.9018 -219.882 77.0726 -219.883 -80.3619 -68.6217 77.0733 -68.6208 63.1707 GPRESSURE: 2836400 -58.898 -255.626 -6.8328 -103.34 20.3868 -121.6 88.0687 -38.0387 79.5795 PRESSAVG: 2836400 27.2306 -30.7112 -42.5337 -30.7113 -54.9045 -24.1951 -42.5337 -24.1951 21.1877 GPRESSAVG: 2836400 27.1241 -29.2969 -44.773 -31.0185 -54.1312 -23.6203 -43.4833 -26.849 20.526 TIMING: 2836400 CPU: 8230.34, 0.00295081/step Wall: 8230.34, 0.00295081/step, 1.77344 hours remaining, 206.281250 MB of memory in use. ENERGY: 2836400 765.3451 2031.4159 1953.4393 108.4627 -206287.6100 17950.3461 0.0000 0.0000 33987.1105 -149491.4903 296.8179 -183478.6008 -149391.1239 298.6157 -17.6977 13.6895 558786.1458 -2.1620 -2.1604 PRESSURE: 2836600 -266.448 -72.2823 2.52674 -72.2827 29.5626 67.7124 2.52662 67.7125 72.4831 GPRESSURE: 2836600 -294.894 -9.44512 -23.3957 -93.6019 75.9784 62.6768 0.354846 106.691 154.014 PRESSAVG: 2836600 35.1544 -7.54049 2.60756 -7.54044 -66.4418 -14.3053 2.60747 -14.3054 18.9847 GPRESSAVG: 2836600 35.9479 -5.63489 4.01273 -8.3693 -67.1351 -14.7397 2.69011 -11.0483 18.9525 TIMING: 2836600 CPU: 8230.92, 0.00289734/step Wall: 8230.92, 0.00289734/step, 1.74114 hours remaining, 206.484375 MB of memory in use. ENERGY: 2836600 742.8032 2080.3779 1949.2183 102.4234 -206400.9735 17879.4551 0.0000 0.0000 34152.5514 -149494.1442 298.2627 -183646.6957 -149399.5098 298.1988 -54.8008 -21.6339 558924.0787 -4.1009 -4.0782 PRESSURE: 2836800 -231.293 136.925 -108.239 136.925 -282.273 146.037 -108.238 146.038 -16.273 GPRESSURE: 2836800 -181.011 89.25 -108.853 174.461 -338.53 76.9804 -81.4156 152.42 80.5524 PRESSAVG: 2836800 -54.6525 -3.85041 51.4344 -3.85046 -13.6911 15.4145 51.4344 15.4146 86.9006 GPRESSAVG: 2836800 -54.6923 -5.89452 51.5397 -1.73033 -14.2038 16.0671 51.1883 12.2237 87.8436 TIMING: 2836800 CPU: 8231.5, 0.00289067/step Wall: 8231.5, 0.00289067/step, 1.73697 hours remaining, 206.484375 MB of memory in use. ENERGY: 2836800 753.7340 2035.6910 1938.4767 121.0786 -206242.2744 17597.2548 0.0000 0.0000 34294.2299 -149501.8096 299.5000 -183796.0394 -149405.7752 298.3928 -176.6132 -146.3295 557266.3312 6.1857 6.3158 PRESSURE: 2837000 99.5223 110.341 107.436 110.34 -158.84 7.01651 107.436 7.01701 -269.313 GPRESSURE: 2837000 117.943 71.8409 97.3449 176.626 -178.661 50.4621 123.426 -30.6328 -163.45 PRESSAVG: 2837000 49.8716 35.3668 33.7069 35.3668 52.2676 9.83911 33.707 9.83911 -7.37629 GPRESSAVG: 2837000 50.0486 36.8881 32.9352 34.3381 51.5449 9.83987 34.6715 11.4102 -7.54906 TIMING: 2837000 CPU: 8232.08, 0.00288574/step Wall: 8232.08, 0.00288574/step, 1.73385 hours remaining, 206.484375 MB of memory in use. ENERGY: 2837000 765.6745 2014.0264 1956.7137 108.7996 -206352.4615 17792.1005 0.0000 0.0000 34299.0782 -149416.0686 299.5424 -183715.1468 -149324.6186 298.7254 -109.5435 -74.7225 555687.7467 31.5876 31.3481 PRESSURE: 2837200 31.6497 -169.326 -42.8498 -169.325 271.486 7.05405 -42.8488 7.05402 92.403 GPRESSURE: 2837200 49.4239 -142.286 -69.7815 -217.508 327.571 -93.7473 -40.6553 34.4184 115.895 PRESSAVG: 2837200 37.5612 -8.87089 42.404 -8.87087 27.5637 35.5279 42.4039 35.528 -13.4936 GPRESSAVG: 2837200 37.3285 -8.31072 44.6734 -7.94789 28.4591 37.3711 41.5141 33.8154 -13.8118 TIMING: 2837200 CPU: 8232.65, 0.00288018/step Wall: 8232.65, 0.00288018/step, 1.73035 hours remaining, 206.484375 MB of memory in use. ENERGY: 2837200 747.3085 2072.4906 1933.8022 115.2296 -206436.4405 17974.7754 0.0000 0.0000 34374.2655 -149218.5685 300.1990 -183592.8340 -149117.6911 299.3237 131.8461 164.2967 555490.0789 17.2104 17.3252 PRESSURE: 2837400 217.27 -19.9363 -47.1322 -19.9369 -261.583 27.1627 -47.1321 27.1636 -347 GPRESSURE: 2837400 250.434 -47.9124 -131.258 8.50231 -266.659 80.8458 -71.3814 51.1895 -284.769 PRESSAVG: 2837400 34.5696 -2.92833 2.11165 -2.92825 38.4239 46.4816 2.11168 46.4815 -31.2409 GPRESSAVG: 2837400 34.0944 -3.79381 -0.0830934 -4.66855 37.7384 43.5198 2.34064 48.6382 -30.1221 TIMING: 2837400 CPU: 8233.23, 0.00289642/step Wall: 8233.23, 0.00289642/step, 1.73994 hours remaining, 206.484375 MB of memory in use. ENERGY: 2837400 719.3778 2137.5973 1958.4684 102.9743 -206127.2963 17620.1261 0.0000 0.0000 34207.8607 -149380.8916 298.7458 -183588.7523 -149292.7415 299.2352 -130.4375 -100.3314 557929.6137 13.9175 13.9035 PRESSURE: 2837600 87.6537 -49.1118 -79.1632 -49.112 9.85539 -43.3864 -79.1632 -43.3873 -276.038 GPRESSURE: 2837600 114.075 -6.85821 -58.241 -100.049 64.845 -70.1925 -7.33174 2.32627 -248.4 PRESSAVG: 2837600 122.817 -3.51501 2.90856 -3.51505 -21.5623 -2.057 2.90862 -2.05704 -83.9711 GPRESSAVG: 2837600 124.14 -3.85356 2.02812 -2.67471 -21.1588 0.901335 3.51505 -2.16198 -84.8971 TIMING: 2837600 CPU: 8233.81, 0.0029133/step Wall: 8233.81, 0.0029133/step, 1.74992 hours remaining, 206.484375 MB of memory in use. ENERGY: 2837600 718.5118 2043.0450 1973.4973 125.7472 -206082.0185 17655.0457 0.0000 0.0000 34370.5778 -149195.5936 300.1668 -183566.1714 -149094.2107 299.1207 -59.5097 -23.1600 557944.9630 5.7612 6.0281 PRESSURE: 2837800 -82.2453 -104.552 -202.727 -104.552 -104.798 -44.3309 -202.725 -44.3302 34.5276 GPRESSURE: 2837800 -35.2793 -109.093 -196.919 -72.3683 -63.2336 -157.483 -269.358 72.6049 39.1563 PRESSAVG: 2837800 20.3063 62.8628 -36.6264 62.8628 -15.7548 37.0027 -36.6264 37.0028 59.005 GPRESSAVG: 2837800 20.109 63.1418 -36.7356 63.9357 -16.0874 36.6904 -35.53 36.1067 59.6857 TIMING: 2837800 CPU: 8234.39, 0.00289819/step Wall: 8234.39, 0.00289819/step, 1.74069 hours remaining, 206.484375 MB of memory in use. ENERGY: 2837800 747.0590 2094.5752 1947.2430 93.4620 -206117.1485 17792.6398 0.0000 0.0000 34131.9175 -149310.2519 298.0825 -183442.1695 -149220.2045 299.1300 -50.8385 -19.7855 557930.7584 21.1855 21.2357 PRESSURE: 2838000 -71.6484 22.6067 66.413 22.6057 -143.162 169.427 66.4114 169.427 37.6118 GPRESSURE: 2838000 -70.5406 127.331 102.582 -51.2829 -72.2022 198.729 78.4602 165.815 62.0344 PRESSAVG: 2838000 7.81674 19.5663 -22.1598 19.5663 10.5153 26 -22.1598 26 -24.2416 GPRESSAVG: 2838000 7.36126 20.668 -20.1489 18.5624 11.1863 26.2542 -24.7779 24.0632 -24.5621 TIMING: 2838000 CPU: 8234.97, 0.00288148/step Wall: 8234.97, 0.00288148/step, 1.73049 hours remaining, 206.484375 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: 2838000 746.3981 2103.8480 1952.5329 109.4775 -206099.3627 17829.9241 0.0000 0.0000 34046.1379 -149311.0443 297.3334 -183357.1822 -149220.0139 298.2621 -59.0663 -26.9028 558000.3725 -1.9699 -2.0049 PRESSURE: 2838200 13.6121 49.1497 166.083 49.1504 -126.75 0.609136 166.082 0.608998 108.573 GPRESSURE: 2838200 32.9552 13.7893 167.485 19.5826 -81.8131 67.9425 127.739 -2.61112 130.622 PRESSAVG: 2838200 -54.6058 -10.6097 26.9454 -10.6097 -3.83272 6.17275 26.9453 6.17267 48.0879 GPRESSAVG: 2838200 -54.8177 -8.64853 23.0426 -11.4014 -3.17398 6.59496 27.3353 8.43463 47.9707 TIMING: 2838200 CPU: 8235.55, 0.0028814/step Wall: 8235.55, 0.0028814/step, 1.73028 hours remaining, 206.484375 MB of memory in use. ENERGY: 2838200 738.8815 2056.2467 1967.4586 103.0229 -206334.5663 17936.4914 0.0000 0.0000 34273.7218 -149258.7434 299.3209 -183532.4651 -149165.8747 299.1836 -1.5217 27.2547 557108.9687 -3.4502 -3.3404 PRESSURE: 2838400 168.514 41.3855 103.186 41.3851 235.894 -66.7256 103.185 -66.7252 82.6429 GPRESSURE: 2838400 191.652 -26.273 154.381 105.76 255.03 -105.883 5.27228 -53.0902 139.31 PRESSAVG: 2838400 2.86859 5.36376 -7.34747 5.36373 -5.17386 -15.8779 -7.34745 -15.8781 -2.57939 GPRESSAVG: 2838400 3.75292 3.92672 -4.37092 5.94002 -6.34144 -16.1032 -6.64527 -16.6763 -2.17753 TIMING: 2838400 CPU: 8236.12, 0.00287251/step Wall: 8236.12, 0.00287251/step, 1.72478 hours remaining, 206.484375 MB of memory in use. ENERGY: 2838400 726.5378 2101.2070 1949.7977 130.6417 -206389.4407 18003.3682 0.0000 0.0000 34246.5536 -149231.3348 299.0837 -183477.8883 -149138.3315 298.8345 162.3503 195.3308 557258.8113 -1.6282 -1.5887 PRESSURE: 2838600 44.0327 -7.00129 -118.024 -7.00074 105.117 3.36296 -118.024 3.3625 43.4 GPRESSURE: 2838600 84.6134 117.804 -190.727 -156.586 87.9447 51.2289 -25.5281 -45.5252 114.306 PRESSAVG: 2838600 -55.4459 16.5898 0.498348 16.5898 -22.4014 8.88639 0.498433 8.88612 33.2718 GPRESSAVG: 2838600 -56.7432 17.3201 -1.23107 17.3054 -20.8178 7.43856 2.32324 10.459 32.6577 TIMING: 2838600 CPU: 8236.7, 0.00288777/step Wall: 8236.7, 0.00288777/step, 1.73379 hours remaining, 206.484375 MB of memory in use. ENERGY: 2838600 736.7616 2189.9234 1958.5609 97.0888 -206187.0556 17822.2553 0.0000 0.0000 34197.8401 -149184.6255 298.6582 -183382.4656 -149099.3983 299.4097 64.1833 95.6214 556116.5300 -14.8585 -14.9678 PRESSURE: 2838800 -270.35 -17.1831 -10.2069 -17.1833 -222.214 54.8972 -10.2093 54.8975 -385.912 GPRESSURE: 2838800 -281.299 -69.4081 -63.1327 -35.8862 -144.878 -5.82583 124.181 181.292 -349.844 PRESSAVG: 2838800 -18.1514 17.2715 26.3973 17.2715 -0.34432 36.2461 26.3972 36.2463 59.848 GPRESSAVG: 2838800 -17.7443 17.9611 27.2591 17.6977 -1.51608 38.7714 24.4762 33.8584 60.5215 TIMING: 2838800 CPU: 8237.28, 0.00289791/step Wall: 8237.28, 0.00289791/step, 1.73971 hours remaining, 206.484375 MB of memory in use. ENERGY: 2838800 751.7225 2079.0927 1976.8062 106.9927 -205702.8988 17441.3018 0.0000 0.0000 34160.0657 -149186.9171 298.3283 -183346.9828 -149093.8153 298.8013 -292.8252 -258.6736 558030.7105 13.7841 13.7537 PRESSURE: 2839000 37.8669 80.6705 144.1 80.6695 148.381 29.3488 144.1 29.3491 -144.383 GPRESSURE: 2839000 98.5466 58.5618 221.294 109.376 172.951 26.2793 87.7876 -21.3216 -125.607 PRESSAVG: 2839000 -31.9862 -4.30487 14.5255 -4.30493 -5.95988 33.4914 14.5254 33.4915 30.7636 GPRESSAVG: 2839000 -32.0247 -5.64176 14.1949 -4.09489 -4.07418 31.6551 14.8801 33.9885 29.4703 TIMING: 2839000 CPU: 8237.86, 0.00289172/step Wall: 8237.86, 0.00289172/step, 1.73584 hours remaining, 206.484375 MB of memory in use. ENERGY: 2839000 755.0183 2073.8720 1971.7526 113.3038 -206245.7616 17798.6619 0.0000 0.0000 34375.9328 -149157.2201 300.2136 -183533.1530 -149057.1815 299.2985 13.9547 48.6302 556196.5785 -2.3942 -2.2095 PRESSURE: 2839200 -37.2327 53.4578 59.8666 53.4576 -70.4059 -53.5575 59.8672 -53.5579 -205.967 GPRESSURE: 2839200 -14.0091 33.6112 117.682 -76.7371 -26.7507 48.9992 87.2045 -39.5026 -184.934 PRESSAVG: 2839200 37.7956 -35.9295 2.06464 -35.9295 -11.1603 -4.97477 2.06471 -4.97483 30.1665 GPRESSAVG: 2839200 38.1465 -37.5663 1.19129 -35.7488 -11.9738 -3.23628 1.24463 -3.93306 30.4862 TIMING: 2839200 CPU: 8238.44, 0.00293141/step Wall: 8238.44, 0.00293141/step, 1.7595 hours remaining, 206.730469 MB of memory in use. ENERGY: 2839200 718.7922 2135.4023 1932.6040 112.7830 -205945.7069 17654.5843 0.0000 0.0000 34354.4008 -149037.1401 300.0255 -183391.5410 -148938.2038 300.5384 -104.5351 -75.2311 556695.9913 18.9339 18.8863 PRESSURE: 2839400 243.76 -47.1253 -14.9595 -47.1251 -73.0147 41.3692 -14.9609 41.3701 -166.156 GPRESSURE: 2839400 327.982 -101.377 -102.148 49.9726 -40.8618 48.0861 -32.0472 6.67365 -183.132 PRESSAVG: 2839400 54.8943 -8.36642 -40.8713 -8.36636 -53.2055 -0.376366 -40.8715 -0.376382 -18.4796 GPRESSAVG: 2839400 54.8172 -6.88109 -42.2414 -9.22551 -52.9561 0.207452 -39.3242 -0.67195 -19.0388 TIMING: 2839400 CPU: 8239.03, 0.00291274/step Wall: 8239.03, 0.00291274/step, 1.74813 hours remaining, 206.730469 MB of memory in use. ENERGY: 2839400 755.2557 2047.3556 1968.5877 124.0719 -206087.1605 17841.8272 0.0000 0.0000 34081.7715 -149268.2908 297.6446 -183350.0623 -149168.3016 299.2304 1.5297 34.6629 556321.7805 -5.5969 -5.7259 PRESSURE: 2839600 280.288 -252.489 -95.6017 -252.489 140.755 -27.5959 -95.6002 -27.5972 595.34 GPRESSURE: 2839600 329.503 -230.858 -86.5239 -199.469 200.251 -69.1262 -153.7 -45.1283 572.1 PRESSAVG: 2839600 26.4029 -25.7142 5.63371 -25.7142 -8.43198 -24.356 5.63384 -24.3558 30.3453 GPRESSAVG: 2839600 25.8618 -25.1883 6.96717 -24.5112 -8.8408 -27.5396 3.57295 -22.8086 30.8292 TIMING: 2839600 CPU: 8239.61, 0.00290822/step Wall: 8239.61, 0.00290822/step, 1.74525 hours remaining, 206.730469 MB of memory in use. ENERGY: 2839600 736.0357 2073.6421 1963.1937 119.7923 -206366.9094 18028.4633 0.0000 0.0000 34397.1873 -149048.5950 300.3992 -183445.7822 -148951.1237 298.9895 338.7942 367.2848 555430.6282 16.1054 15.9501 PRESSURE: 2839800 50.0435 -147.846 -80.9068 -147.845 -371.903 -11.6326 -80.9059 -11.6346 -152.365 GPRESSURE: 2839800 64.0437 -141.097 -115.971 -237.975 -353.923 10.5298 -150.817 -65.6541 -88.2301 PRESSAVG: 2839800 -36.5259 -4.11467 14.5677 -4.11471 -3.75573 -8.7858 14.5677 -8.78575 7.12512 GPRESSAVG: 2839800 -36.6711 -6.56217 14.9818 -5.94907 -2.91175 -7.65105 16.4938 -10.1886 7.01365 TIMING: 2839800 CPU: 8240.19, 0.00289588/step Wall: 8240.19, 0.00289588/step, 1.73769 hours remaining, 206.929688 MB of memory in use. ENERGY: 2839800 760.5498 2092.4573 1971.3565 111.7679 -205847.0152 17550.0830 0.0000 0.0000 34271.2310 -149089.5699 299.2992 -183360.8009 -148985.0218 299.8867 -158.0749 -126.0365 557423.1121 -11.0522 -10.8564 PRESSURE: 2840000 -141.567 45.1418 104.843 45.1414 32.9287 87.2621 104.844 87.2623 -69.6486 GPRESSURE: 2840000 -145.352 94.3811 118.438 1.92558 72.9556 39.8343 50.5491 107.84 -10.3988 PRESSAVG: 2840000 7.42545 -18.7301 3.59625 -18.7301 8.12441 29.5652 3.5961 29.5651 10.9026 GPRESSAVG: 2840000 8.75283 -16.2095 3.01318 -18.1026 6.6924 29.0032 1.14376 30.268 11.2042 TIMING: 2840000 CPU: 8240.77, 0.00290358/step Wall: 8240.77, 0.00290358/step, 1.74215 hours remaining, 206.929688 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: 2840000 759.3689 2134.0890 1977.9580 115.5157 -206206.5583 17751.8087 0.0000 0.0000 34288.0579 -149179.7602 299.4461 -183467.8182 -149085.1148 299.4511 -59.4289 -27.5984 557531.4592 8.8175 8.8832 PRESSURE: 2840200 -44.7578 -55.6658 64.1716 -55.6647 -63.0778 -197.909 64.1726 -197.909 -406.826 GPRESSURE: 2840200 -0.330571 -80.2779 44.8147 12.1616 -53.0747 -31.5316 122.518 -302.803 -360.45 PRESSAVG: 2840200 -16.3419 34.1887 -36.125 34.1888 -14.7352 -10.4451 -36.125 -10.4451 -8.65435 GPRESSAVG: 2840200 -17.5495 35.4433 -36.2506 32.892 -14.1599 -8.80382 -33.3403 -11.6424 -8.18312 TIMING: 2840200 CPU: 8241.35, 0.00292852/step Wall: 8241.35, 0.00292852/step, 1.75695 hours remaining, 206.929688 MB of memory in use. ENERGY: 2840200 763.8094 2051.5273 1974.0296 129.7848 -206076.7535 17569.6865 0.0000 0.0000 34284.9888 -149302.9272 299.4193 -183587.9159 -149206.9621 299.6504 -171.5540 -137.9519 556720.0038 -13.2438 -13.2975 LDB: ============= START OF LOAD BALANCING ============== 8244.82 LDB: ============== END OF LOAD BALANCING =============== 8244.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8244.82 LDB: ============= START OF LOAD BALANCING ============== 8245.11 LDB: Largest compute 4821 load 0.034151 is 29.0% of average load 0.117836 LDB: Average compute 0.001718 is 1.5% of average load 0.117836 LDB: TIME 8245.12 LOAD: AVG 0.117836 MAX 0.177341 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 204.395 MB LDB: TIME 8245.12 LOAD: AVG 0.117836 MAX 0.177341 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.398 MB LDB: TIME 8245.12 LOAD: AVG 0.117836 MAX 0.177341 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 204.398 MB LDB: ============== END OF LOAD BALANCING =============== 8245.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8245.12 PRESSURE: 2840400 -190.996 -75.4429 -25.0782 -75.4452 -70.5681 161.179 -25.0774 161.178 14.9738 GPRESSURE: 2840400 -153.116 29.788 -17.9213 -113.054 -43.4287 198.499 -42.089 144.602 33.0851 PRESSAVG: 2840400 7.8703 -20.3275 39.5323 -20.3276 53.6065 3.66262 39.5323 3.6626 -51.276 GPRESSAVG: 2840400 8.95722 -23.2531 41.3804 -19.5078 53.3151 2.77903 36.6067 4.60834 -52.1353 TIMING: 2840400 CPU: 8241.95, 0.00296758/step Wall: 8241.95, 0.00296758/step, 1.78022 hours remaining, 205.445312 MB of memory in use. ENERGY: 2840400 767.3956 2109.1407 1949.7333 99.0721 -205881.1303 17533.0494 0.0000 0.0000 34401.2384 -149021.5009 300.4346 -183422.7393 -148922.6563 299.5485 -82.1966 -54.4865 556285.9465 3.4003 3.3790 PRESSURE: 2840600 -205.975 100.017 90.4719 100.016 68.1959 254.26 90.4704 254.259 -367.371 GPRESSURE: 2840600 -181.217 146.502 93.1869 -5.28128 98.1718 264.965 177.258 233.456 -323.189 PRESSAVG: 2840600 -10.3486 8.94449 -2.55619 8.94449 74.6506 6.82026 -2.55611 6.82018 -62.9665 GPRESSAVG: 2840600 -11.1189 11.0232 -4.38887 7.89161 75.0051 5.34909 -0.87331 7.62225 -62.7968 TIMING: 2840600 CPU: 8242.53, 0.00291378/step Wall: 8242.53, 0.00291378/step, 1.74778 hours remaining, 205.515625 MB of memory in use. ENERGY: 2840600 806.9146 2084.4943 1974.3085 112.1602 -205868.9355 17671.5490 0.0000 0.0000 34217.5763 -149001.9326 298.8306 -183219.5089 -148911.0000 299.4208 -168.3831 -135.4114 558239.1592 0.4451 0.3631 PRESSURE: 2840800 95.0634 -87.0016 47.2961 -87.0019 -422.966 -47.1621 47.295 -47.1606 -47.6274 GPRESSURE: 2840800 113.669 -31.5035 -12.2461 -124.43 -392.484 -80.3155 64.8692 -86.7049 -8.80777 PRESSAVG: 2840800 19.6526 -8.1953 20.9361 -8.19537 2.34938 5.15009 20.9361 5.15007 21.646 GPRESSAVG: 2840800 19.7711 -10.2858 22.0254 -5.83651 2.74306 4.88311 19.8417 5.12893 20.9765 TIMING: 2840800 CPU: 8243.12, 0.0029382/step Wall: 8243.12, 0.0029382/step, 1.76226 hours remaining, 205.515625 MB of memory in use. ENERGY: 2840800 721.9984 2089.6280 1978.4331 109.5647 -206119.1529 17690.1640 0.0000 0.0000 34277.9134 -149251.4512 299.3575 -183529.3646 -149148.1715 299.7966 -125.1767 -95.8745 558959.5552 14.5493 14.4969 PRESSURE: 2841000 -50.3533 -117.888 72.252 -117.888 129.958 -25.3098 72.2518 -25.3093 22.9097 GPRESSURE: 2841000 -48.5717 -79.8322 12.763 -52.6837 223.001 -25.3634 107.167 58.4782 19.2541 PRESSAVG: 2841000 20.3416 -16.4695 6.30424 -16.4695 -37.1149 19.8811 6.30428 19.881 4.93538 GPRESSAVG: 2841000 21.0636 -17.6009 5.48346 -17.8764 -38.2166 20.1422 7.14557 19.0579 5.5981 TIMING: 2841000 CPU: 8243.7, 0.00291982/step Wall: 8243.7, 0.00291982/step, 1.75108 hours remaining, 205.515625 MB of memory in use. ENERGY: 2841000 780.7395 2021.1362 1949.1715 108.5030 -206261.4640 17947.2259 0.0000 0.0000 34136.1776 -149318.5103 298.1197 -183454.6880 -149224.0772 299.8299 34.1715 64.5611 557630.2170 -3.9460 -3.8517 PRESSURE: 2841200 -57.572 11.1857 15.7138 11.1854 -79.0215 20.7114 15.7142 20.7111 -88.9651 GPRESSURE: 2841200 -6.31841 2.34473 -6.91372 -85.4876 -12.8706 -47.6248 24.9466 45.3644 -100.327 PRESSAVG: 2841200 -48.3691 0.582063 53.2515 0.582039 20 54.3496 53.2515 54.3496 50.3198 GPRESSAVG: 2841200 -50.204 2.87957 53.0607 1.7293 21.7894 55.116 54.2459 53.7256 50.6309 TIMING: 2841200 CPU: 8244.28, 0.00290653/step Wall: 8244.28, 0.00290653/step, 1.74295 hours remaining, 205.515625 MB of memory in use. ENERGY: 2841200 750.2856 2044.6772 1956.1739 129.4145 -206614.4993 18147.4217 0.0000 0.0000 34285.6003 -149300.9260 299.4247 -183586.5263 -149203.7651 299.0080 -75.1862 -39.8386 559922.5805 7.3169 7.4054 PRESSURE: 2841400 -117.828 -82.9092 -115.69 -82.9094 167.118 85.1238 -115.689 85.1243 350.102 GPRESSURE: 2841400 -117.11 -46.3479 -104.645 -101.054 202.97 34.2889 -90.803 47.5431 417.199 PRESSAVG: 2841400 -7.40289 -11.6741 -22.8743 -11.6739 -20.152 21.034 -22.8743 21.034 87.4307 GPRESSAVG: 2841400 -6.34428 -11.4153 -23.7696 -13.4253 -20.7654 22.0653 -22.1399 19.7028 86.8124 TIMING: 2841400 CPU: 8244.87, 0.00291655/step Wall: 8244.87, 0.00291655/step, 1.74879 hours remaining, 205.515625 MB of memory in use. ENERGY: 2841400 708.2512 2116.9457 1976.0367 110.4562 -206402.2489 17926.7218 0.0000 0.0000 34404.8438 -149158.9935 300.4661 -183563.8373 -149063.4068 299.8254 133.1305 167.6862 558198.7946 19.9586 19.9009 PRESSURE: 2841600 -194.167 -80.5957 -171.485 -80.5947 -255.818 46.2146 -171.485 46.2147 -51.9275 GPRESSURE: 2841600 -177.778 -108.738 -242.246 -13.5987 -182.356 87.5078 -88.8595 5.00497 -47.7665 PRESSAVG: 2841600 -79.9065 -33.2121 2.77723 -33.212 -39.0801 8.86836 2.77725 8.86829 95.4451 GPRESSAVG: 2841600 -80.5392 -31.376 4.06654 -32.1662 -38.5434 7.72683 0.0778705 12.9799 95.2404 TIMING: 2841600 CPU: 8245.45, 0.00292039/step Wall: 8245.45, 0.00292039/step, 1.75094 hours remaining, 205.515625 MB of memory in use. ENERGY: 2841600 756.3803 2070.7169 1943.0580 104.7257 -206148.0678 17580.3638 0.0000 0.0000 34441.4361 -149251.3870 300.7856 -183692.8231 -149148.9163 299.3659 -167.3038 -135.9667 558730.2162 -7.8472 -7.9474 PRESSURE: 2841800 -310.143 -204.765 57.5113 -204.765 -5.09665 160.212 57.5122 160.214 -187.85 GPRESSURE: 2841800 -277.061 -206.326 48.0169 -198.221 25.5977 141.686 68.1623 154.303 -154.138 PRESSAVG: 2841800 -8.25185 -64.2042 -52.8498 -64.2041 16.8843 12.5864 -52.8499 12.5864 8.72586 GPRESSAVG: 2841800 -7.33231 -64.5415 -52.0077 -66.207 16.2203 13.6802 -51.9993 8.989 8.78101 TIMING: 2841800 CPU: 8246.03, 0.00292426/step Wall: 8246.03, 0.00292426/step, 1.75309 hours remaining, 205.515625 MB of memory in use. ENERGY: 2841800 762.5852 2088.5681 1980.7460 122.9456 -205892.2848 17695.4866 0.0000 0.0000 34088.5116 -149153.4418 297.7034 -183241.9533 -149054.2244 298.9957 -167.6966 -135.2006 560139.6112 5.7861 5.8896 PRESSURE: 2842000 -4.85138 136.104 80.4739 136.102 -109.242 -23.8624 80.4747 -23.8625 277.709 GPRESSURE: 2842000 28.1344 131.556 81.8379 104.187 -37.2114 -60.0916 28.3249 42.4748 261.776 PRESSAVG: 2842000 -45.4389 -36.5541 -13.9401 -36.554 16.8185 -16.5114 -13.9401 -16.5114 57.7661 GPRESSAVG: 2842000 -44.8935 -36.8006 -13.4049 -36.2231 16.9648 -17.1065 -14.7837 -14.0599 57.5283 TIMING: 2842000 CPU: 8246.62, 0.00292454/step Wall: 8246.62, 0.00292454/step, 1.7531 hours remaining, 205.515625 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: 2842000 707.7940 2113.1140 1956.5386 120.4689 -206125.9956 17756.9981 0.0000 0.0000 34176.3425 -149294.7395 298.4705 -183471.0820 -149195.1183 299.0906 54.5389 84.2331 557556.6553 9.7152 9.8665 PRESSURE: 2842200 203.842 -160.925 115.358 -160.924 -19.4011 45.6986 115.358 45.698 -65.233 GPRESSURE: 2842200 191.799 -211.143 137.479 -75.0971 1.16746 26.8072 34.3279 -54.7251 21.1638 PRESSAVG: 2842200 -6.58052 -33.3429 -18.0812 -33.3429 -27.6332 1.26494 -18.0811 1.26495 42.5236 GPRESSAVG: 2842200 -7.42469 -35.0393 -18.2152 -31.762 -27.8307 2.01628 -17.8432 -1.4516 43.9249 TIMING: 2842200 CPU: 8247.2, 0.00288974/step Wall: 8247.2, 0.00288974/step, 1.73208 hours remaining, 205.515625 MB of memory in use. ENERGY: 2842200 764.2533 2153.3329 1923.4548 117.0972 -206156.9892 17950.6126 0.0000 0.0000 34113.1037 -149135.1349 297.9182 -183248.2385 -149039.8543 299.5195 39.7360 71.3769 558283.9500 2.7700 2.8898 PRESSURE: 2842400 204.997 -72.6865 67.0029 -72.6869 219.575 -58.8955 67.0019 -58.8962 52.7581 GPRESSURE: 2842400 212.704 -88.9823 134.092 -38.6856 258.927 -123.095 154.856 -22.769 109.041 PRESSAVG: 2842400 -85.2774 1.22439 13.3262 1.22434 31.6152 2.20646 13.3263 2.20647 24.8867 GPRESSAVG: 2842400 -83.9426 1.46089 13.3864 1.96567 31.6717 -0.0568328 13.6415 5.99319 23.4972 TIMING: 2842400 CPU: 8247.78, 0.00290841/step Wall: 8247.78, 0.00290841/step, 1.74311 hours remaining, 205.515625 MB of memory in use. ENERGY: 2842400 719.7012 2089.3217 1944.5295 118.4435 -206434.8521 18183.7978 0.0000 0.0000 34338.4824 -149040.5761 299.8865 -183379.0584 -148936.5807 299.7859 159.1098 193.5574 556878.0639 -9.5918 -9.5913 PRESSURE: 2842600 -32.4433 -15.9187 -77.8831 -15.9184 96.2261 -35.7711 -77.8842 -35.7724 -120.657 GPRESSURE: 2842600 -6.00614 -74.0069 -150.35 71.2697 107.583 -3.21303 -13.7973 -72.4095 -72.4443 PRESSAVG: 2842600 -10.0836 -8.33091 -36.2011 -8.33099 0.119376 15.3791 -36.2012 15.3791 6.96985 GPRESSAVG: 2842600 -10.5761 -6.80939 -40.1424 -9.55753 0.259167 17.4926 -35.2014 12.295 7.30572 TIMING: 2842600 CPU: 8248.36, 0.00289026/step Wall: 8248.36, 0.00289026/step, 1.73207 hours remaining, 205.515625 MB of memory in use. ENERGY: 2842600 785.2697 2097.9702 1959.4050 108.9593 -206182.6524 17849.0812 0.0000 0.0000 34463.1382 -148918.8289 300.9752 -183381.9671 -148824.7960 300.3614 -18.9581 9.7110 557587.2287 -0.9981 -1.0037 PRESSURE: 2842800 -170.281 -100.901 4.14233 -100.902 19.5262 -6.02279 4.14207 -6.023 -55.2323 GPRESSURE: 2842800 -138.58 -119.647 57.7607 -70.9618 47.1157 142.076 8.92081 -34.6112 -21.6605 PRESSAVG: 2842800 -30.6558 -30.1739 20.5413 -30.1739 47.1577 12.531 20.5413 12.531 -38.4752 GPRESSAVG: 2842800 -30.8972 -31.1181 23.236 -32.1201 46.3705 11.7558 20.2611 13.4969 -37.3361 TIMING: 2842800 CPU: 8248.93, 0.0028862/step Wall: 8248.93, 0.0028862/step, 1.72947 hours remaining, 205.515625 MB of memory in use. ENERGY: 2842800 759.6643 2130.6097 1961.5305 116.5717 -206023.5222 17752.4453 0.0000 0.0000 34309.0467 -148993.6540 299.6294 -183302.7007 -148892.4949 300.5853 -68.6625 -37.7083 557664.0940 -7.3244 -7.2876 PRESSURE: 2843000 -18.3368 -100.393 -102.958 -100.394 6.33396 -14.0298 -102.958 -14.0292 123.942 GPRESSURE: 2843000 -37.4964 -106.416 -80.946 -113.794 23.262 68.1518 -42.5807 6.14001 217.394 PRESSAVG: 2843000 28.6323 2.49095 36.2177 2.49102 41.8892 16.0205 36.2178 16.0205 -68.5388 GPRESSAVG: 2843000 29.966 2.37796 38.3602 3.64637 40.7081 17.4554 34.0869 15.4989 -69.2502 TIMING: 2843000 CPU: 8249.51, 0.0028971/step Wall: 8249.51, 0.0028971/step, 1.73584 hours remaining, 205.515625 MB of memory in use. ENERGY: 2843000 762.9132 2115.9921 1975.3802 115.6311 -206404.8884 17909.8824 0.0000 0.0000 34616.6624 -148908.4269 302.3159 -183525.0893 -148811.5291 300.0150 37.3130 67.7198 555983.5449 0.6609 0.4746 PRESSURE: 2843200 48.4277 -43.7951 14.3342 -43.7955 80.7251 -113.807 14.3335 -113.807 -206.867 GPRESSURE: 2843200 -16.8108 -31.6314 85.8242 -102.083 154.394 -33.3949 -19.1705 -152.602 -123.893 PRESSAVG: 2843200 -33.481 -25.5609 -26.8026 -25.561 10.4999 -17.2205 -26.8026 -17.2205 25.2279 GPRESSAVG: 2843200 -35.5279 -25.3209 -27.674 -25.2038 11.8511 -19.1153 -25.1983 -15.2074 26.0763 TIMING: 2843200 CPU: 8250.09, 0.00289986/step Wall: 8250.09, 0.00289986/step, 1.73734 hours remaining, 205.515625 MB of memory in use. ENERGY: 2843200 739.6697 2101.0922 1970.4170 127.2479 -205869.7132 17687.7774 0.0000 0.0000 34298.8872 -148944.6217 299.5407 -183243.5089 -148855.2867 299.1962 -25.9049 4.5632 558130.2478 0.7489 0.7998 PRESSURE: 2843400 45.0126 25.285 -9.18802 25.285 65.6102 33.3753 -9.1875 33.3744 195.42 GPRESSURE: 2843400 88.7537 -7.38783 42 52.4451 125.88 76.4969 -51.716 -41.5799 194.804 PRESSAVG: 2843400 42.6018 -32.0644 2.27597 -32.0643 -4.53174 -22.708 2.27599 -22.708 -13.9778 GPRESSAVG: 2843400 43.8012 -32.0641 0.286041 -33.632 -4.19059 -22.2536 3.45695 -25.7756 -15.6571 TIMING: 2843400 CPU: 8250.68, 0.0029259/step Wall: 8250.68, 0.0029259/step, 1.75278 hours remaining, 205.515625 MB of memory in use. ENERGY: 2843400 731.9195 2070.7737 1966.2989 103.3859 -205824.9495 17757.2731 0.0000 0.0000 34245.4249 -148949.8734 299.0738 -183195.2984 -148856.7836 299.8145 102.0142 136.4793 558752.9264 8.0308 7.9845 PRESSURE: 2843600 -235.505 -14.4698 61.2114 -14.4724 4.35501 -96.6652 61.2118 -96.6667 -66.8813 GPRESSURE: 2843600 -111.034 -91.9552 49.4203 71.6767 -48.7051 -41.8001 39.6617 -80.1258 -46.2474 PRESSAVG: 2843600 26.4212 -12.4138 -47.5366 -12.4137 56.8079 -26.4242 -47.5367 -26.4242 -5.53523 GPRESSAVG: 2843600 25.5455 -12.5794 -47.3978 -11.8043 56.9452 -25.7198 -47.2061 -25.9009 -4.58004 TIMING: 2843600 CPU: 8251.26, 0.00290996/step Wall: 8251.26, 0.00290996/step, 1.74307 hours remaining, 205.515625 MB of memory in use. ENERGY: 2843600 723.0224 2058.2027 1965.8153 115.0296 -205296.8592 17433.2156 0.0000 0.0000 34144.0007 -148857.5727 298.1881 -183001.5734 -148766.4340 299.7787 -99.3438 -68.6621 558957.9666 25.8979 25.9702 PRESSURE: 2843800 137.59 162.726 144.319 162.725 -29.0707 -30.0299 144.317 -30.0298 -13.5398 GPRESSURE: 2843800 117.785 213.787 157.469 103.97 21.166 -111.13 180.132 9.66645 63.0856 PRESSAVG: 2843800 65.577 21.9949 10.4701 21.9949 -34.6377 -13.7713 10.4702 -13.7713 -17.422 GPRESSAVG: 2843800 66.2503 21.6824 12.3353 21.0048 -33.8329 -13.351 9.81934 -12.8992 -18.4518 TIMING: 2843800 CPU: 8251.85, 0.00292619/step Wall: 8251.85, 0.00292619/step, 1.75262 hours remaining, 205.515625 MB of memory in use. ENERGY: 2843800 748.7453 2076.1506 1964.4597 122.2261 -206177.3027 17808.1567 0.0000 0.0000 34494.7933 -148962.7710 301.2516 -183457.5643 -148859.8592 300.3160 31.6597 67.3454 556369.4017 4.5058 4.6552 PRESSURE: 2844000 275.117 -15.8639 17.8089 -15.8634 -173.997 -66.4212 17.8098 -66.42 280.007 GPRESSURE: 2844000 321.601 30.9614 18.353 -84.2052 -133.336 -17.5842 39.9275 -74.0322 296.395 PRESSAVG: 2844000 61.0433 13.3261 28.7833 13.3261 -28.2425 -31.1975 28.7834 -31.1974 -35.7144 GPRESSAVG: 2844000 60.5842 13.938 27.1998 14.4099 -27.8019 -32.2328 28.2627 -32.1252 -35.9126 TIMING: 2844000 CPU: 8252.43, 0.00290749/step Wall: 8252.43, 0.00290749/step, 1.74126 hours remaining, 205.515625 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: 2844000 719.4040 2148.7322 1947.2102 124.8130 -205890.5678 17787.3005 0.0000 0.0000 34250.5156 -148912.5923 299.1183 -183163.1079 -148823.0353 299.9211 127.0422 161.5535 558136.9163 -0.9712 -1.0434 PRESSURE: 2844200 -101.248 -104.309 -100.311 -104.308 -160.692 129.136 -100.311 129.136 -381.336 GPRESSURE: 2844200 -84.2737 -44.2932 -108.793 -145.1 -86.0779 99.4358 -155.871 176.57 -379.666 PRESSAVG: 2844200 59.016 73.2148 -40.6369 73.2148 74.4602 27.3577 -40.637 27.3578 -94.2801 GPRESSAVG: 2844200 59.1358 74.9918 -41.695 70.9576 73.2765 24.9398 -41.2439 29.8874 -93.4745 TIMING: 2844200 CPU: 8253.01, 0.00291171/step Wall: 8253.01, 0.00291171/step, 1.74363 hours remaining, 205.515625 MB of memory in use. ENERGY: 2844200 736.3159 2072.7493 1980.1806 101.8904 -205605.1294 17429.9613 0.0000 0.0000 34303.0059 -148981.0260 299.5767 -183284.0319 -148879.3873 299.9260 -214.4254 -183.3394 557830.9458 13.0653 12.9792 LDB: ============= START OF LOAD BALANCING ============== 8256.48 LDB: ============== END OF LOAD BALANCING =============== 8256.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8256.48 LDB: ============= START OF LOAD BALANCING ============== 8256.77 LDB: Largest compute 4821 load 0.033028 is 28.0% of average load 0.117809 LDB: Average compute 0.001723 is 1.5% of average load 0.117809 LDB: TIME 8256.77 LOAD: AVG 0.117809 MAX 0.181633 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 8256.77 LOAD: AVG 0.117809 MAX 0.181633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: TIME 8256.77 LOAD: AVG 0.117809 MAX 0.181633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: ============== END OF LOAD BALANCING =============== 8256.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8256.78 PRESSURE: 2844400 -183.384 -87.5611 -90.9158 -87.5619 66.5972 -127.131 -90.9154 -127.13 -89.9156 GPRESSURE: 2844400 -120.992 -41.9551 -39.5576 -82.8859 99.299 -128.561 -134.652 -161.232 -88.1059 PRESSAVG: 2844400 -3.19618 -38.0871 -38.601 -38.087 36.8753 -35.1387 -38.601 -35.1388 -75.6189 GPRESSAVG: 2844400 -3.10834 -39.3914 -36.492 -35.3563 36.4959 -33.386 -38.9163 -37.8108 -75.6273 TIMING: 2844400 CPU: 8253.6, 0.00294928/step Wall: 8253.6, 0.00294928/step, 1.76597 hours remaining, 207.160156 MB of memory in use. ENERGY: 2844400 741.0552 2073.7943 1946.2624 105.4572 -206182.0380 17764.2140 0.0000 0.0000 34440.8576 -149110.3973 300.7806 -183551.2549 -149008.1937 300.1487 -68.9007 -36.5997 557707.3600 -13.9799 -14.0799 PRESSURE: 2844600 -164.268 72.0157 -113.801 72.014 148.474 -247.294 -113.801 -247.292 -59.9661 GPRESSURE: 2844600 -88.6443 43.1204 -95.4723 73.2594 127.079 -298.586 -88.1445 -206.306 -18.7113 PRESSAVG: 2844600 -1.56077 20.4719 -8.5122 20.4718 72.0526 -40.5557 -8.51223 -40.5555 -18.2619 GPRESSAVG: 2844600 -1.63013 20.2148 -9.16378 20.9629 72.39 -41.1216 -6.25604 -38.0501 -18.2079 TIMING: 2844600 CPU: 8254.18, 0.00288055/step Wall: 8254.18, 0.00288055/step, 1.72465 hours remaining, 207.621094 MB of memory in use. ENERGY: 2844600 725.0523 2058.7553 1968.1440 127.5577 -206151.1780 17720.8494 0.0000 0.0000 34236.4952 -149314.3242 298.9958 -183550.8194 -149217.5230 299.9375 -25.2533 6.5744 556687.6742 17.4100 17.5174 PRESSURE: 2844800 -119.215 -70.6972 173.215 -70.6972 -118.617 131.289 173.215 131.288 -1.56962 GPRESSURE: 2844800 -84.9759 -71.33 107.985 -46.6392 -115.722 145.251 137.833 128.152 57.8544 PRESSAVG: 2844800 -1.11557 -5.7971 -35.4461 -5.79705 40.0135 -56.5943 -35.4462 -56.5944 -46.36 GPRESSAVG: 2844800 -0.864275 -6.07824 -38.1393 -6.58889 40.3026 -54.9786 -36.6396 -60.7262 -46.6169 TIMING: 2844800 CPU: 8254.76, 0.00290375/step Wall: 8254.76, 0.00290375/step, 1.73838 hours remaining, 207.882812 MB of memory in use. ENERGY: 2844800 782.7708 2094.1550 1958.1285 125.6291 -206277.2734 17679.3003 0.0000 0.0000 34318.6850 -149318.6047 299.7136 -183637.2897 -149223.8844 299.0374 -79.8007 -47.6146 556770.8526 -2.4874 -2.3928 PRESSURE: 2845000 -5.10129 39.0269 -102.319 39.0266 -52.1009 139.632 -102.319 139.633 -115.059 GPRESSURE: 2845000 59.1652 -46.892 -86.7133 28.1884 -61.2202 106.257 -81.5399 155.365 -72.251 PRESSAVG: 2845000 -1.76178 7.16747 -14.6432 7.16746 -5.27834 12.9121 -14.6432 12.9121 -3.73581 GPRESSAVG: 2845000 -1.0421 8.62025 -11.8173 6.41073 -5.43577 11.2444 -13.6247 14.1743 -4.39632 TIMING: 2845000 CPU: 8255.34, 0.00292967/step Wall: 8255.34, 0.00292967/step, 1.75374 hours remaining, 207.882812 MB of memory in use. ENERGY: 2845000 731.0778 2036.1668 1957.4237 109.2409 -206277.2836 17784.6906 0.0000 0.0000 34281.1531 -149377.5307 299.3858 -183658.6838 -149289.9260 298.7954 -57.4205 -24.7687 556816.1063 -3.5920 -3.6247 PRESSURE: 2845200 -324.678 -58.5658 -79.2877 -58.566 -111.075 146.36 -79.2893 146.36 164.982 GPRESSURE: 2845200 -281.531 -74.654 -106.229 -80.7845 -47.4314 122.306 -113.25 127.058 155.884 PRESSAVG: 2845200 20.4581 -22.456 -25.7629 -22.4559 -34.3303 32.2505 -25.763 32.2506 19.7745 GPRESSAVG: 2845200 19.4147 -23.6865 -26.2417 -22.5875 -33.4768 33.011 -25.9079 33.1739 19.427 TIMING: 2845200 CPU: 8255.92, 0.00289911/step Wall: 8255.92, 0.00289911/step, 1.73528 hours remaining, 207.882812 MB of memory in use. ENERGY: 2845200 740.0092 2092.7503 1941.2469 113.7310 -206048.9331 17724.4650 0.0000 0.0000 33981.5285 -149455.2021 296.7691 -183436.7306 -149356.0801 298.6285 -90.2568 -57.6930 557906.4910 1.9674 1.7883 PRESSURE: 2845400 -185.431 199.774 -95.0611 199.773 129.216 -53.9961 -95.0612 -53.997 19.7312 GPRESSURE: 2845400 -218.988 220.489 -38.3925 137.28 194.455 -54.4664 -95.8609 -69.6036 90.5276 PRESSAVG: 2845400 -38.1762 28.9446 -68.2454 28.9446 96.3184 15.2775 -68.2454 15.2775 -62.8139 GPRESSAVG: 2845400 -38.3471 28.0221 -70.8052 29.9182 95.3324 14.9829 -66.9664 16.0846 -61.5195 TIMING: 2845400 CPU: 8256.5, 0.00291218/step Wall: 8256.5, 0.00291218/step, 1.74294 hours remaining, 207.882812 MB of memory in use. ENERGY: 2845400 721.9414 2069.2404 1935.7940 118.2326 -206092.2335 17648.4308 0.0000 0.0000 34198.5800 -149400.0143 298.6647 -183598.5942 -149297.3021 298.8706 -12.1612 21.9982 556962.8421 -1.5572 -1.5114 PRESSURE: 2845600 -10.9244 168.414 53.9684 168.414 -140.224 94.9757 53.9691 94.9768 -68.4754 GPRESSURE: 2845600 15.3258 143.061 102.545 118.94 -87.3986 78.068 50.5813 120.622 -65.109 PRESSAVG: 2845600 -12.9613 10.9187 -7.9376 10.9186 -5.19372 -11.7142 -7.93763 -11.7142 8.36087 GPRESSAVG: 2845600 -12.9886 12.0647 -5.27552 9.77683 -3.81965 -10.7382 -11.2292 -12.5184 7.58045 TIMING: 2845600 CPU: 8257.09, 0.00291179/step Wall: 8257.09, 0.00291179/step, 1.74254 hours remaining, 207.882812 MB of memory in use. ENERGY: 2845600 729.6119 2140.3966 1978.3704 110.1095 -206150.0338 17744.5053 0.0000 0.0000 34024.7933 -149422.2469 297.1470 -183447.0402 -149329.2050 298.5958 -73.2080 -45.7273 557599.8393 -3.2647 -3.0759 PRESSURE: 2845800 -26.7083 79.5084 36.1222 79.5083 -145.629 -68.1278 36.1217 -68.1293 -44.2347 GPRESSURE: 2845800 -10.3682 27.9647 26.4772 79.6506 -100.01 -32.1505 47.0341 -121.116 -2.16096 PRESSAVG: 2845800 26.5579 43.3533 41.9995 43.3532 1.43334 19.9526 41.9995 19.9526 -2.69813 GPRESSAVG: 2845800 26.7938 40.5386 42.8221 45.149 1.91654 17.9128 43.2346 20.4077 -3.09837 TIMING: 2845800 CPU: 8257.66, 0.00288684/step Wall: 8257.66, 0.00288684/step, 1.72745 hours remaining, 207.882812 MB of memory in use. ENERGY: 2845800 749.6689 2116.2856 1944.9443 113.7353 -206502.2820 17787.2726 0.0000 0.0000 34172.6622 -149617.7132 298.4384 -183790.3754 -149516.4010 298.1751 -72.1905 -37.5130 557468.1036 8.4310 8.5373 PRESSURE: 2846000 281.218 -28.392 -135.734 -28.392 83.3482 20.0242 -135.735 20.0262 -25.2139 GPRESSURE: 2846000 314.978 20.474 -130.752 22.367 130.992 15.963 -127.034 4.13453 -18.7468 PRESSAVG: 2846000 65.473 -21.1779 -9.3817 -21.1779 -56.5339 -14.0285 -9.38172 -14.0286 -23.1532 GPRESSAVG: 2846000 66.2227 -20.2436 -10.2392 -21.9387 -56.872 -12.4628 -8.32375 -14.3891 -24.3945 TIMING: 2846000 CPU: 8258.24, 0.00289747/step Wall: 8258.24, 0.00289747/step, 1.73366 hours remaining, 207.882812 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: 2846000 721.3693 2105.5269 1963.1857 104.0767 -206588.6903 17984.9089 0.0000 0.0000 34040.9436 -149668.6792 297.2880 -183709.6228 -149572.9171 298.5713 113.1175 142.4075 557083.2513 -4.7380 -5.0146 PRESSURE: 2846200 12.3777 -100.092 -17.9241 -100.092 221.314 24.8634 -17.9237 24.8633 144.346 GPRESSURE: 2846200 73.5113 21.1634 -3.32101 -138.848 218.339 19.5774 9.67589 26.6714 180.314 PRESSAVG: 2846200 -14.3201 -58.0017 -21.8978 -58.0017 24.348 -30.5113 -21.8978 -30.5113 -15.0825 GPRESSAVG: 2846200 -14.1455 -57.617 -21.9348 -57.4663 22.2471 -30.4118 -23.4554 -31.1331 -13.486 TIMING: 2846200 CPU: 8258.82, 0.00289656/step Wall: 8258.82, 0.00289656/step, 1.73295 hours remaining, 207.882812 MB of memory in use. ENERGY: 2846200 750.0343 2080.0387 1937.1962 111.2116 -206799.9726 18022.4339 0.0000 0.0000 34143.9930 -149755.0648 298.1880 -183899.0578 -149659.4893 297.7557 126.0125 157.3879 555634.4813 -1.6849 -1.7948 PRESSURE: 2846400 69.0739 14.9333 128.627 14.9334 375.202 -165.168 128.628 -165.168 29.8647 GPRESSURE: 2846400 124.08 117.571 91.4358 -43.2234 392.75 -160.474 166.388 -108.109 42.8211 PRESSAVG: 2846400 31.9186 -0.949813 15.9896 -0.949746 4.20607 -4.79336 15.9897 -4.79331 -12.0754 GPRESSAVG: 2846400 30.7073 -0.091066 14.5055 -4.74551 5.36245 -4.32391 19.0872 -3.91512 -12.3506 TIMING: 2846400 CPU: 8259.41, 0.00290987/step Wall: 8259.41, 0.00290987/step, 1.74075 hours remaining, 207.882812 MB of memory in use. ENERGY: 2846400 712.0950 2049.5117 1964.3971 102.6950 -207014.3027 18205.1445 0.0000 0.0000 34156.0950 -149824.3645 298.2937 -183980.4594 -149729.0431 298.0169 158.0469 186.5505 556649.8033 8.0164 7.9064 PRESSURE: 2846600 -157.928 -108.531 137.675 -108.531 -335.245 64.5782 137.676 64.5776 -327.093 GPRESSURE: 2846600 -143.883 -81.8058 131.254 -151.549 -270.01 -18.5169 49.8823 147.385 -311.674 PRESSAVG: 2846600 17.5523 -1.94975 15.0323 -1.94977 -9.53141 -27.0251 15.0322 -27.025 6.50145 GPRESSAVG: 2846600 18.3257 -0.90102 16.6947 -0.774697 -9.05092 -28.7676 12.2342 -27.1231 4.72182 TIMING: 2846600 CPU: 8259.99, 0.00290676/step Wall: 8259.99, 0.00290676/step, 1.73873 hours remaining, 207.894531 MB of memory in use. ENERGY: 2846600 797.2555 2186.6905 1953.4000 102.4916 -206170.9100 17435.8058 0.0000 0.0000 34070.9418 -149624.3249 297.5500 -183695.2666 -149527.4158 297.4027 -273.4220 -241.8556 556281.0519 4.8408 4.6655 PRESSURE: 2846800 -170.06 95.6365 123.875 95.6358 -201.172 9.93985 123.875 9.93892 -203.883 GPRESSURE: 2846800 -129.029 118.805 131.874 56.9681 -200.574 35.5835 109.154 81.4051 -153.258 PRESSAVG: 2846800 65.6281 -10.8613 29.8097 -10.8613 4.52477 1.19533 29.8097 1.19528 -25.8689 GPRESSAVG: 2846800 66.1796 -12.7309 27.5108 -8.8372 3.12812 4.05712 31.7499 0.611916 -24.9943 TIMING: 2846800 CPU: 8260.57, 0.00289148/step Wall: 8260.57, 0.00289148/step, 1.72942 hours remaining, 207.894531 MB of memory in use. ENERGY: 2846800 723.1895 2130.3608 1977.4559 107.8375 -206411.8748 17665.0676 0.0000 0.0000 34198.0279 -149609.9356 298.6599 -183807.9635 -149518.1565 298.5073 -191.7051 -160.9536 557851.6259 14.7613 14.7711 PRESSURE: 2847000 29.7575 65.2191 -1.23245 65.2177 -342.261 152.316 -1.23258 152.318 -141.528 GPRESSURE: 2847000 10.4212 29.9965 -52.8555 77.3151 -271.486 137.35 25.9786 100.228 -100.891 PRESSAVG: 2847000 62.7048 -5.53162 49.3675 -5.53161 -44.689 20.3163 49.3676 20.3163 -4.53787 GPRESSAVG: 2847000 61.8916 -6.60911 49.7612 -5.90703 -44.3054 18.5906 48.0024 20.6133 -4.61968 TIMING: 2847000 CPU: 8261.14, 0.00289667/step Wall: 8261.14, 0.00289667/step, 1.73237 hours remaining, 207.894531 MB of memory in use. ENERGY: 2847000 711.5738 2103.6921 1951.7044 107.6053 -206306.9625 17573.4148 0.0000 0.0000 34146.6616 -149712.3105 298.2113 -183858.9721 -149609.4033 298.1164 -151.3439 -120.6521 557585.4571 4.4926 4.3222 PRESSURE: 2847200 86.2997 -22.4624 -289.601 -22.4617 -250.437 -73.8447 -289.603 -73.8438 68.2642 GPRESSURE: 2847200 91.8495 -8.97122 -288.935 35.2146 -162.133 -168.467 -160.678 0.732473 59.4667 PRESSAVG: 2847200 74.455 13.7375 -9.11218 13.7375 -55.619 -2.21133 -9.11219 -2.21127 -41.72 GPRESSAVG: 2847200 75.0548 15.5829 -6.72317 14.3418 -55.3318 -2.50539 -10.8713 -1.94449 -41.925 TIMING: 2847200 CPU: 8261.73, 0.00291874/step Wall: 8261.73, 0.00291874/step, 1.74541 hours remaining, 207.894531 MB of memory in use. ENERGY: 2847200 765.3744 2149.2103 1949.3388 111.6480 -206705.4291 17902.7356 0.0000 0.0000 34066.4709 -149760.6512 297.5110 -183827.1221 -149666.0163 298.0118 -31.9578 -3.6057 556391.7842 -7.6280 -7.4007 PRESSURE: 2847400 -127.498 37.5405 -54.0546 37.5421 -89.1728 -55.0787 -54.0553 -55.0784 -134.224 GPRESSURE: 2847400 -86.9392 101.134 -91.8851 -25.1477 -56.6573 -49.8675 21.6246 -14.0988 -122.094 PRESSAVG: 2847400 -14.0492 16.1358 -6.04023 16.1359 -35.0897 -80.589 -6.04028 -80.589 11.1966 GPRESSAVG: 2847400 -13.6084 16.4262 -6.67887 16.0216 -36.088 -79.7184 -5.75238 -81.2804 11.6053 TIMING: 2847400 CPU: 8262.31, 0.0029101/step Wall: 8262.31, 0.0029101/step, 1.74008 hours remaining, 207.894531 MB of memory in use. ENERGY: 2847400 777.9201 2088.0575 1972.0075 106.4321 -206549.4391 17778.7207 0.0000 0.0000 34014.8504 -149811.4508 297.0601 -183826.3012 -149710.4960 297.6503 -116.9650 -88.5637 556570.4240 -12.6474 -12.6970 PRESSURE: 2847600 -224.591 -139.505 -34.2431 -139.506 -147.759 78.3403 -34.2441 78.3395 149.99 GPRESSURE: 2847600 -160.376 -161.596 -57.1542 -1.6583 -137.349 103.692 -37.4948 53.7625 176.687 PRESSAVG: 2847600 -0.856262 -19.5809 -15.0681 -19.5808 -22.7665 -49.7412 -15.0681 -49.7411 4.99336 GPRESSAVG: 2847600 -1.07322 -19.2118 -17.3697 -20.1447 -22.1629 -48.6075 -13.5884 -49.9659 4.50336 TIMING: 2847600 CPU: 8262.89, 0.00288671/step Wall: 8262.89, 0.00288671/step, 1.72593 hours remaining, 207.894531 MB of memory in use. ENERGY: 2847600 767.1985 2074.3398 1946.1219 108.3789 -206795.2142 17843.0819 0.0000 0.0000 34384.4374 -149671.6557 300.2878 -184056.0932 -149571.6620 297.4328 -74.1199 -40.3459 557231.5660 -6.2098 -6.2442 PRESSURE: 2847800 -169.439 -150.815 177.408 -150.815 156.234 139.308 177.408 139.308 131.767 GPRESSURE: 2847800 -70.1311 -137.577 138.923 -155.006 104.317 109.282 191.064 98.3463 173.092 PRESSAVG: 2847800 24.7313 -47.445 10.8208 -47.445 -23.1673 35.5627 10.8208 35.5626 -14.9516 GPRESSAVG: 2847800 23.5985 -48.7323 12.1584 -46.3868 -23.264 33.738 10.2938 34.2728 -13.8124 TIMING: 2847800 CPU: 8263.47, 0.00289904/step Wall: 8263.47, 0.00289904/step, 1.73314 hours remaining, 207.894531 MB of memory in use. ENERGY: 2847800 721.8703 2069.8956 1978.7421 111.8742 -206622.9009 17841.4977 0.0000 0.0000 34391.6843 -149507.3366 300.3511 -183899.0209 -149398.9771 298.4592 39.5207 69.0929 556263.1370 -4.4625 -4.4926 PRESSURE: 2848000 -208.506 -122.968 116.932 -122.968 -17.2834 -75.3136 116.932 -75.3152 102.416 GPRESSURE: 2848000 -151.635 -176.441 65.4146 -104.565 62.0182 -116.258 151.512 3.44987 59.9435 PRESSAVG: 2848000 -84.607 13.4842 -16.7214 13.4841 5.30529 17.8592 -16.7212 17.8593 53.0678 GPRESSAVG: 2848000 -83.8397 15.0043 -17.5228 13.722 6.16082 18.0158 -16.8148 18.7987 51.3942 TIMING: 2848000 CPU: 8264.05, 0.00288912/step Wall: 8264.05, 0.00288912/step, 1.72705 hours remaining, 207.894531 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: 2848000 759.9593 2085.9573 1998.1953 132.7474 -206464.5094 17848.7805 0.0000 0.0000 34096.8845 -149541.9850 297.7766 -183638.8696 -149442.7572 298.2831 -41.1244 -9.8911 556317.4395 -8.7446 -8.7616 PRESSURE: 2848200 -303.514 -47.1727 -244.851 -47.1733 -244.681 218.206 -244.851 218.205 -166.936 GPRESSURE: 2848200 -220.993 -120.535 -291.069 -11.1502 -203.861 173.781 -190.978 246.516 -193.399 PRESSAVG: 2848200 -19.3478 1.19989 -12.4698 1.19988 -9.23345 55.7082 -12.4699 55.7082 11.9608 GPRESSAVG: 2848200 -17.9552 0.882464 -12.2947 0.578427 -10.2562 56.1759 -11.0128 55.6628 11.7469 TIMING: 2848200 CPU: 8264.62, 0.0028773/step Wall: 8264.62, 0.0028773/step, 1.71983 hours remaining, 207.894531 MB of memory in use. ENERGY: 2848200 729.5639 2101.5515 1985.0467 112.8575 -206041.0849 17489.1302 0.0000 0.0000 34156.0847 -149466.8503 298.2936 -183622.9350 -149379.2587 298.6926 -238.3768 -206.0844 558799.1508 -5.5401 -5.4882 LDB: ============= START OF LOAD BALANCING ============== 8268.09 LDB: ============== END OF LOAD BALANCING =============== 8268.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8268.09 LDB: ============= START OF LOAD BALANCING ============== 8268.38 LDB: Largest compute 4821 load 0.030960 is 26.3% of average load 0.117875 LDB: Average compute 0.001717 is 1.5% of average load 0.117875 LDB: TIME 8268.38 LOAD: AVG 0.117875 MAX 0.177545 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.191 MB LDB: TIME 8268.38 LOAD: AVG 0.117875 MAX 0.177545 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 8268.38 LOAD: AVG 0.117875 MAX 0.177545 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 8268.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8268.39 PRESSURE: 2848400 -122.585 101.856 -3.29668 101.855 -227.797 197.211 -3.29557 197.211 -127.417 GPRESSURE: 2848400 -76.5122 98.5347 -3.62833 159.421 -180.97 146.076 -0.598564 238.092 -124.98 PRESSAVG: 2848400 32.9134 -53.7591 -3.70307 -53.7591 -21.7125 59.6125 -3.70315 59.6125 10.4047 GPRESSAVG: 2848400 32.4102 -55.1555 -2.78162 -51.6689 -20.8882 60.6935 -5.05803 59.4475 10.2583 TIMING: 2848400 CPU: 8265.21, 0.00296851/step Wall: 8265.21, 0.00296851/step, 1.77418 hours remaining, 206.449219 MB of memory in use. ENERGY: 2848400 698.2543 2068.0428 1967.2270 119.9427 -206211.4074 17630.1127 0.0000 0.0000 34369.4917 -149358.3362 300.1573 -183727.8279 -149261.5320 298.7545 -159.2665 -127.4874 558521.9063 7.2019 7.2601 PRESSURE: 2848600 -5.62851 74.9795 168.092 74.9803 -204.78 106.412 168.09 106.412 -296.141 GPRESSURE: 2848600 86.7986 -24.3457 289.193 62.1652 -201.504 54.0314 117.359 190.946 -291.481 PRESSAVG: 2848600 39.9647 13.9588 18.7864 13.9588 7.63548 15.1504 18.7864 15.1505 -52.6075 GPRESSAVG: 2848600 40.4146 15.3417 18.7064 12.1078 6.91622 15.2157 19.333 14.7852 -51.8882 TIMING: 2848600 CPU: 8265.8, 0.00292036/step Wall: 8265.8, 0.00292036/step, 1.74524 hours remaining, 206.910156 MB of memory in use. ENERGY: 2848600 775.9606 2118.6566 1966.2428 111.4802 -206176.5601 17559.4913 0.0000 0.0000 34225.7810 -149418.9476 298.9023 -183644.7286 -149316.9818 298.2421 -168.8498 -135.3955 556936.3881 -1.6691 -1.5191 PRESSURE: 2848800 127.968 93.6278 -18.0775 93.6266 -201.142 -33.9019 -18.0792 -33.9022 -270.281 GPRESSURE: 2848800 155.225 136.376 -24.9796 52.156 -217.229 -140.013 -139.992 19.4858 -190.139 PRESSAVG: 2848800 17.4187 25.1869 40.3696 25.1869 -21.873 -7.6596 40.3696 -7.65968 -30.9145 GPRESSAVG: 2848800 16.8465 26.3959 38.4228 22.8555 -21.2793 -8.91585 39.6241 -8.17192 -30.9722 TIMING: 2848800 CPU: 8266.38, 0.00291301/step Wall: 8266.38, 0.00291301/step, 1.74068 hours remaining, 206.980469 MB of memory in use. ENERGY: 2848800 747.1923 2106.3454 1991.0688 107.5527 -206296.2479 17697.0735 0.0000 0.0000 34167.1745 -149479.8406 298.3904 -183647.0151 -149380.3341 298.9246 -114.4849 -84.0473 557391.1908 -11.7896 -11.8017 PRESSURE: 2849000 203.833 84.5185 43.4009 84.518 160.716 -250.275 43.4015 -250.276 112.165 GPRESSURE: 2849000 180.252 113.911 77.3905 63.2647 228.269 -203.269 -27.7081 -210.797 150.197 PRESSAVG: 2849000 55.3886 20.2962 -1.21103 20.2961 -25.8593 -54.3439 -1.21105 -54.344 -48.6235 GPRESSAVG: 2849000 54.6447 18.1445 0.39133 23.1407 -25.2523 -51.8776 -0.42438 -54.4469 -48.4355 TIMING: 2849000 CPU: 8266.96, 0.00291643/step Wall: 8266.96, 0.00291643/step, 1.74256 hours remaining, 206.992188 MB of memory in use. ENERGY: 2849000 753.6580 2096.6799 1977.5956 110.8303 -206390.4969 17993.4335 0.0000 0.0000 34113.4869 -149344.8128 297.9216 -183458.2997 -149252.5449 298.4759 158.9044 186.2394 556756.9431 -6.3647 -6.3477 PRESSURE: 2849200 -49.0153 -97.7869 -95.8382 -97.7868 -75.2976 -47.8855 -95.8391 -47.8858 -195.886 GPRESSURE: 2849200 -33.523 -109.407 -170.024 -133.338 -67.2964 -91.8549 -95.1971 -45.1393 -124.23 PRESSAVG: 2849200 -6.03254 8.93675 17.0087 8.93682 47.8181 -45.7146 17.0087 -45.7144 -19.6479 GPRESSAVG: 2849200 -5.86414 8.21809 16.8191 7.38927 47.6459 -46.0861 14.7135 -44.3548 -20.0819 TIMING: 2849200 CPU: 8267.54, 0.00289764/step Wall: 8267.54, 0.00289764/step, 1.73118 hours remaining, 206.992188 MB of memory in use. ENERGY: 2849200 769.6034 2122.5325 1936.1070 99.5288 -206016.5204 17561.6907 0.0000 0.0000 34321.3347 -149205.7233 299.7368 -183527.0580 -149105.3787 299.2333 -106.7330 -75.0166 556566.4784 7.3792 7.2333 PRESSURE: 2849400 -115.298 -17.9639 85.0159 -17.9626 -257.893 -23.9694 85.015 -23.9693 -21.8592 GPRESSURE: 2849400 -100.576 87.0343 73.3523 -56.7272 -179.571 27.463 49.0791 16.5425 -10.9849 PRESSAVG: 2849400 -24.5427 4.19412 25.4947 4.19416 35.8406 16.8059 25.4947 16.806 0.515165 GPRESSAVG: 2849400 -24.5557 6.31063 27.0291 4.28246 36.2254 17.9771 25.0369 16.589 0.648843 TIMING: 2849400 CPU: 8268.12, 0.00290256/step Wall: 8268.12, 0.00290256/step, 1.73396 hours remaining, 206.992188 MB of memory in use. ENERGY: 2849400 797.5179 1990.1635 1948.0682 111.3402 -206228.1010 17726.6141 0.0000 0.0000 34279.1836 -149375.2135 299.3686 -183654.3971 -149280.3390 299.1359 -131.6834 -97.0439 556524.5927 3.9377 4.1062 PRESSURE: 2849600 -123.401 -124.576 62.621 -124.577 -346.416 20.4427 62.6199 20.4415 -232.593 GPRESSURE: 2849600 -90.7256 27.0604 73.1724 -215.066 -288.27 -77.2917 40.2669 95.4075 -207.133 PRESSAVG: 2849600 -40.2229 -47.3837 -19.9698 -47.3837 42.9625 -11.2699 -19.9698 -11.2699 49.3632 GPRESSAVG: 2849600 -39.1205 -46.8688 -22.6059 -48.0478 42.1672 -11.1285 -17.7796 -13.8233 49.0555 TIMING: 2849600 CPU: 8268.7, 0.00287912/step Wall: 8268.7, 0.00287912/step, 1.7198 hours remaining, 206.992188 MB of memory in use. ENERGY: 2849600 764.4560 2090.2580 1974.4459 114.7673 -205818.6053 17334.9686 0.0000 0.0000 34252.1919 -149287.5177 299.1329 -183539.7096 -149186.5917 299.1064 -234.1367 -195.3763 555703.9829 17.3676 17.3674 PRESSURE: 2849800 -14.1929 43.9154 -72.5864 43.9157 -13.5798 100.641 -72.5873 100.64 321.475 GPRESSURE: 2849800 -12.6196 -20.849 -49.7765 29.785 32.8842 135.405 -20.9291 158.059 364.942 PRESSAVG: 2849800 -28.0555 3.59177 -22.5065 3.59179 14.2995 28.1243 -22.5065 28.1244 15.4141 GPRESSAVG: 2849800 -28.5083 0.766797 -21.146 5.06859 14.9507 26.572 -23.5381 29.0088 15.5634 TIMING: 2849800 CPU: 8269.28, 0.00288039/step Wall: 8269.28, 0.00288039/step, 1.72039 hours remaining, 206.992188 MB of memory in use. ENERGY: 2849800 749.3348 2124.9583 1945.4161 119.7522 -206398.7615 17879.1714 0.0000 0.0000 34459.3933 -149120.7354 300.9425 -183580.1287 -149024.7304 299.4333 97.9006 128.4021 556635.3903 0.5527 0.6686 PRESSURE: 2850000 139.596 76.8453 27.997 76.8459 26.3615 12.5115 27.9978 12.5117 366.198 GPRESSURE: 2850000 151.442 -7.68786 15.3744 75.7857 46.392 -45.4657 14.6183 28.3294 437.362 PRESSAVG: 2850000 5.68735 -25.7094 -17.0285 -25.7094 7.21216 -32.6544 -17.0283 -32.6543 -4.06035 GPRESSAVG: 2850000 5.64585 -26.1732 -18.3969 -26.6153 6.41944 -31.7997 -15.9978 -33.1593 -3.42488 TIMING: 2850000 CPU: 8269.85, 0.00289108/step Wall: 8269.85, 0.00289108/step, 1.72662 hours remaining, 206.992188 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: 2850000 708.4939 2088.5742 1987.7965 96.3560 -206280.0843 17911.2363 0.0000 0.0000 34249.0203 -149238.6071 299.1052 -183487.6274 -149143.2097 299.0861 177.3852 211.7319 556648.3339 2.9464 2.8801 PRESSURE: 2850200 -91.6121 97.0823 89.5451 97.0822 -152.244 64.9069 89.5458 64.9069 65.8367 GPRESSURE: 2850200 -28.1613 46.4162 69.4415 128.291 -166.526 -20.1643 168.943 76.8609 104.851 PRESSAVG: 2850200 -44.8441 47.2971 -0.438992 47.2971 10.9071 -73.2603 -0.439116 -73.2603 15.3901 GPRESSAVG: 2850200 -44.5457 49.1549 -0.966342 47.1208 11.4249 -73.4541 -1.30095 -74.9505 14.804 TIMING: 2850200 CPU: 8270.43, 0.00288481/step Wall: 8270.43, 0.00288481/step, 1.72271 hours remaining, 206.992188 MB of memory in use. ENERGY: 2850200 751.8912 2102.5165 1948.6245 132.1467 -206222.3155 17788.0554 0.0000 0.0000 34432.0312 -149067.0500 300.7035 -183499.0812 -148974.4414 299.9418 -59.3397 -29.9455 556682.9866 -6.1823 -6.1056 PRESSURE: 2850400 17.4962 -94.6081 -26.3522 -94.6087 -65.2737 1.29912 -26.3519 1.29969 -181.007 GPRESSURE: 2850400 82.7414 -114.253 90.5238 -105.01 -76.9969 -11.6894 -56.1165 -4.76155 -142.586 PRESSAVG: 2850400 -110.877 -24.328 -8.68289 -24.328 35.1145 39.187 -8.68288 39.187 69.6265 GPRESSAVG: 2850400 -111.758 -25.0241 -6.96596 -23.2406 34.2621 39.5854 -9.39649 41.1133 70.9728 TIMING: 2850400 CPU: 8271.01, 0.00288957/step Wall: 8271.01, 0.00288957/step, 1.72539 hours remaining, 206.992188 MB of memory in use. ENERGY: 2850400 771.1346 2079.1145 1968.0122 115.4677 -205962.2007 17568.6942 0.0000 0.0000 34408.9646 -149050.8129 300.5020 -183459.7776 -148955.9692 298.9170 -76.2614 -45.6137 556476.0660 -2.0455 -2.1745 PRESSURE: 2850600 -41.0012 104.281 -58.9249 104.282 -163.279 -84.5062 -58.9247 -84.5056 18.4242 GPRESSURE: 2850600 54.4031 158.829 -12.0592 45.5045 -140.826 -88.0304 -186.141 -62.0446 12.6984 PRESSAVG: 2850600 5.97591 76.6166 6.91188 76.6166 -34.8956 -9.89591 6.91189 -9.896 46.1153 GPRESSAVG: 2850600 7.29042 77.4817 6.30883 76.1256 -34.3947 -9.68689 8.66652 -10.5753 44.4064 TIMING: 2850600 CPU: 8271.59, 0.002899/step Wall: 8271.59, 0.002899/step, 1.73086 hours remaining, 206.992188 MB of memory in use. ENERGY: 2850600 773.6411 2100.5025 1963.1054 122.4528 -206066.6053 17664.7317 0.0000 0.0000 34340.7129 -149101.4589 299.9060 -183442.1718 -149008.6389 300.2089 -61.9520 -24.5748 555105.6780 5.7319 5.7674 PRESSURE: 2850800 -146.655 156.054 -76.4963 156.056 -236.717 -96.0663 -76.4964 -96.0671 -155.828 GPRESSURE: 2850800 -104.634 245.471 4.41058 58.3651 -220.141 -81.2219 -138.053 -129.311 -119.252 PRESSAVG: 2850800 -87.5566 77.5992 28.5446 77.5992 19.6172 16.6069 28.5447 16.6068 37.4089 GPRESSAVG: 2850800 -88.3529 78.4104 30.4914 75.4797 19.7966 13.6595 27.2088 19.3309 38.4388 TIMING: 2850800 CPU: 8272.17, 0.00290725/step Wall: 8272.17, 0.00290725/step, 1.73563 hours remaining, 206.992188 MB of memory in use. ENERGY: 2850800 727.2658 2126.2470 1947.2369 112.5293 -205562.9680 17406.2466 0.0000 0.0000 34178.7805 -149064.6619 298.4918 -183243.4424 -148969.9925 299.7116 -179.7331 -148.0093 557527.9798 -10.1768 -10.0392 PRESSURE: 2851000 178.994 182.45 115.443 182.448 -201.626 -49.7325 115.443 -49.7319 -168.78 GPRESSURE: 2851000 197.813 132.391 157.703 110.002 -155.528 -27.8777 72.2035 -66.3787 -132.574 PRESSAVG: 2851000 -23.4141 21.8265 -29.4257 21.8265 -64.8537 12.5134 -29.4259 12.5135 71.2142 GPRESSAVG: 2851000 -23.8332 21.6479 -32.1414 22.3645 -64.092 15.4312 -27.8455 9.33517 70.5247 TIMING: 2851000 CPU: 8272.75, 0.00291346/step Wall: 8272.75, 0.00291346/step, 1.73917 hours remaining, 206.992188 MB of memory in use. ENERGY: 2851000 734.3919 2083.0301 1946.4312 105.0784 -205988.2024 17655.5159 0.0000 0.0000 34365.9216 -149097.8334 300.1261 -183463.7550 -148999.9178 299.4916 -63.8039 -30.0963 558345.4653 -5.6846 -5.8002 PRESSURE: 2851200 -46.7429 -123.752 -102.565 -123.752 -170.578 1.75235 -102.565 1.75313 -297.755 GPRESSURE: 2851200 15.0521 -145.721 -103.799 -113.202 -108.482 55.3734 -101.684 -58.0396 -320.2 PRESSAVG: 2851200 84.337 -33.3659 16.308 -33.3659 -82.1807 26.4949 16.308 26.4949 16.0441 GPRESSAVG: 2851200 85.4286 -33.0104 17.1141 -33.9944 -83.1786 26.4852 15.9643 28.796 16.0858 TIMING: 2851200 CPU: 8273.33, 0.0029077/step Wall: 8273.33, 0.0029077/step, 1.73557 hours remaining, 206.992188 MB of memory in use. ENERGY: 2851200 751.6274 2120.8686 1950.4288 120.0935 -205866.3299 17443.2500 0.0000 0.0000 34417.6879 -149062.3737 300.5782 -183480.0616 -148972.6314 300.0130 -171.6919 -137.8765 556456.8793 6.0668 6.1119 PRESSURE: 2851400 -82.1475 43.9221 174.906 43.9226 -264.404 -73.0297 174.906 -73.0289 -191.975 GPRESSURE: 2851400 -65.5616 48.7506 143.532 2.67241 -206.356 -47.1211 189.904 -102.954 -159.449 PRESSAVG: 2851400 62.1152 -19.2741 11.2281 -19.274 -30.53 2.72261 11.2281 2.72272 -29.0669 GPRESSAVG: 2851400 61.3873 -21.0474 13.5091 -16.3034 -30.5709 0.786676 7.49531 2.60371 -28.0312 TIMING: 2851400 CPU: 8273.91, 0.0028741/step Wall: 8273.91, 0.0028741/step, 1.71536 hours remaining, 206.992188 MB of memory in use. ENERGY: 2851400 735.6144 2059.5345 1931.8244 108.1489 -205815.2399 17578.7648 0.0000 0.0000 34500.1733 -148901.1797 301.2986 -183401.3530 -148797.6856 299.8784 -179.5090 -143.7890 557546.3735 0.8394 0.9284 PRESSURE: 2851600 25.1401 -111.398 -145.228 -111.398 135.397 36.31 -145.229 36.3103 15.5651 GPRESSURE: 2851600 133.459 -164.488 -145.124 -139.324 79.71 20.4997 -116.247 47.1026 65.3524 PRESSAVG: 2851600 25.0162 -35.6579 44.7216 -35.6579 -14.2757 -71.1672 44.7216 -71.1673 14.9511 GPRESSAVG: 2851600 24.8901 -33.864 43.0307 -38.3209 -13.4912 -69.5342 46.229 -74.0267 14.6551 TIMING: 2851600 CPU: 8274.48, 0.00286434/step Wall: 8274.48, 0.00286434/step, 1.70938 hours remaining, 206.992188 MB of memory in use. ENERGY: 2851600 751.6000 2044.6381 1948.6313 111.4591 -205746.1325 17903.5171 0.0000 0.0000 33946.9865 -149039.3004 296.4675 -182986.2869 -148946.6698 300.1777 58.7007 92.8405 556566.8830 8.5639 8.6847 PRESSURE: 2851800 121.391 -35.1068 10.1189 -35.1067 -27.2827 -32.0544 10.1197 -32.0525 -22.1144 GPRESSURE: 2851800 185.444 -4.53789 10.0144 43.5959 -18.6337 25.3802 61.9162 -84.0751 -3.49529 PRESSAVG: 2851800 7.54151 27.5141 -18.1775 27.5142 24.2961 1.30065 -18.1774 1.30047 -76.2911 GPRESSAVG: 2851800 7.50058 27.7579 -19.8959 28.1128 23.2863 0.313257 -16.0122 2.65773 -75.8148 TIMING: 2851800 CPU: 8275.06, 0.00288501/step Wall: 8275.06, 0.00288501/step, 1.72155 hours remaining, 206.992188 MB of memory in use. ENERGY: 2851800 740.4838 2079.6447 1947.9017 115.2104 -206235.7249 17782.2061 0.0000 0.0000 34367.8317 -149202.4464 300.1428 -183570.2782 -149104.1258 298.9871 23.9978 54.4384 556642.6907 -14.8178 -15.0093 PRESSURE: 2852000 40.4369 -52.0581 -9.57067 -52.0571 84.3153 36.3471 -9.57125 36.3463 62.682 GPRESSURE: 2852000 53.5837 38.0138 -28.2079 -64.9269 116.504 58.7657 -16.8522 59.6126 105.984 PRESSAVG: 2852000 41.6396 60.9558 14.564 60.9557 -28.6673 -1.03111 14.564 -1.03114 -11.9336 GPRESSAVG: 2852000 41.9437 60.4994 16.1217 61.444 -28.4998 0.819929 14.0184 -0.998516 -12.3176 TIMING: 2852000 CPU: 8275.64, 0.00289806/step Wall: 8275.64, 0.00289806/step, 1.72918 hours remaining, 206.992188 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: 2852000 794.4976 2137.7201 1968.7228 124.1671 -206371.1131 17948.5164 0.0000 0.0000 34412.9254 -148984.5637 300.5366 -183397.4891 -148884.1928 299.1711 62.4781 92.0238 557044.5679 0.3463 0.3754 PRESSURE: 2852200 37.1847 -4.34511 -51.721 -4.34424 84.4078 47.8179 -51.7206 47.8189 -11.5878 GPRESSURE: 2852200 75.9334 -16.8822 -21.8449 2.8262 121.601 50.0235 -181.608 110.568 16.1724 PRESSAVG: 2852200 -5.45642 28.4662 19.932 28.4661 -20.2844 22.8901 19.9319 22.8901 48.3579 GPRESSAVG: 2852200 -6.12784 27.1231 18.7239 28.534 -18.5843 21.4031 17.7088 24.5024 48.1373 TIMING: 2852200 CPU: 8276.21, 0.00287717/step Wall: 8276.21, 0.00287717/step, 1.71655 hours remaining, 206.992188 MB of memory in use. ENERGY: 2852200 780.4984 2076.5003 1958.6487 105.0405 -206063.8380 17885.3814 0.0000 0.0000 34346.1003 -148911.6682 299.9530 -183257.7685 -148821.0176 300.1363 36.6682 71.2355 556916.7142 7.5390 7.8084 LDB: ============= START OF LOAD BALANCING ============== 8279.68 LDB: ============== END OF LOAD BALANCING =============== 8279.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8279.68 LDB: ============= START OF LOAD BALANCING ============== 8279.97 LDB: Largest compute 4821 load 0.028870 is 24.5% of average load 0.117762 LDB: Average compute 0.001718 is 1.5% of average load 0.117762 LDB: TIME 8279.97 LOAD: AVG 0.117762 MAX 0.177476 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.367 MB LDB: TIME 8279.97 LOAD: AVG 0.117762 MAX 0.177476 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: TIME 8279.97 LOAD: AVG 0.117762 MAX 0.177476 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: ============== END OF LOAD BALANCING =============== 8279.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8279.98 PRESSURE: 2852400 -153.13 59.335 200.829 59.3353 -198.113 60.1548 200.831 60.1562 -49.2937 GPRESSURE: 2852400 -99.1359 46.3763 156.673 84.7208 -173.09 -26.7025 219.92 81.1313 -32.584 PRESSAVG: 2852400 32.4465 53.6452 29.0824 53.6453 -8.14773 -20.0037 29.0824 -20.0035 16.7074 GPRESSAVG: 2852400 33.0584 54.598 29.4172 53.0319 -8.09802 -17.8668 28.5474 -21.5368 16.5005 TIMING: 2852400 CPU: 8276.8, 0.00293889/step Wall: 8276.8, 0.00293889/step, 1.75321 hours remaining, 205.878906 MB of memory in use. ENERGY: 2852400 713.0321 2127.9539 1989.2592 103.0338 -205679.8555 17521.7872 0.0000 0.0000 34239.0867 -148985.7026 299.0185 -183224.7892 -148886.2803 299.7905 -133.5123 -101.6034 558950.0739 13.6687 13.8203 PRESSURE: 2852600 -26.0025 26.7206 156.05 26.7209 -146.927 75.0759 156.05 75.0762 181.979 GPRESSURE: 2852600 -11.071 30.9332 149.106 65.5891 -87.5437 78.8541 135.078 -45.3654 198.597 PRESSAVG: 2852600 52.4678 9.76247 -9.89217 9.76257 -81.9451 -8.20424 -9.89215 -8.20414 32.4385 GPRESSAVG: 2852600 52.8236 11.0453 -8.42276 11.1033 -82.9342 -7.62884 -8.71454 -10.4625 32.6144 TIMING: 2852600 CPU: 8277.38, 0.00287509/step Wall: 8277.38, 0.00287509/step, 1.71499 hours remaining, 205.941406 MB of memory in use. ENERGY: 2852600 743.4009 2118.2406 1964.1259 109.9654 -206316.6277 17730.2622 0.0000 0.0000 34454.2655 -149196.3672 300.8977 -183650.6327 -149096.1683 300.0117 3.0165 33.3275 555568.7835 0.9871 0.8346 PRESSURE: 2852800 -268.191 -210.896 148.735 -210.896 11.2558 -0.618309 148.735 -0.617624 -45.1793 GPRESSURE: 2852800 -243.17 -124.17 141.676 -218.477 106.641 -44.0971 211.2 -34.7784 -72.815 PRESSAVG: 2852800 -60.5029 38.5247 11.4197 38.5247 30.7146 24.25 11.4198 24.2501 51.1486 GPRESSAVG: 2852800 -60.7686 39.1343 10.5365 36.4278 31.0231 23.1673 12.3042 26.3906 51.1767 TIMING: 2852800 CPU: 8277.96, 0.00289628/step Wall: 8277.96, 0.00289628/step, 1.72747 hours remaining, 205.941406 MB of memory in use. ENERGY: 2852800 736.4824 2146.7037 1944.1745 102.7108 -205987.8298 17534.2409 0.0000 0.0000 34251.3527 -149272.1647 299.1256 -183523.5175 -149176.0400 298.6214 -100.7048 -69.7814 555841.2849 7.1201 7.1437 PRESSURE: 2853000 197.049 149.131 62.5746 149.132 23.9453 21.9575 62.5749 21.9582 10.1171 GPRESSURE: 2853000 280.65 87.6462 76.4217 145.244 77.0431 3.48619 67.5989 -65.011 -23.5203 PRESSAVG: 2853000 9.01632 28.7571 11.7403 28.7571 -40.184 18.8304 11.7403 18.8304 5.14339 GPRESSAVG: 2853000 9.86141 25.6983 14.2346 32.7734 -41.0205 20.1501 9.2078 17.1528 5.1926 TIMING: 2853000 CPU: 8278.54, 0.0029025/step Wall: 8278.54, 0.0029025/step, 1.73102 hours remaining, 205.941406 MB of memory in use. ENERGY: 2853000 716.7645 2016.6120 1976.2367 100.1135 -205914.1183 17725.8937 0.0000 0.0000 34093.1491 -149285.3488 297.7440 -183378.4979 -149184.0308 298.9747 77.0372 111.3909 557053.7714 -8.6748 -8.6555 PRESSURE: 2853200 34.7247 21.2591 -41.2119 21.2592 142.966 -131.678 -41.2131 -131.679 -148.661 GPRESSURE: 2853200 60.2348 -30.1366 -154.961 17.8439 114.46 -90.6068 147.226 -130.542 -53.2644 PRESSAVG: 2853200 -26.0873 -2.13847 10.7683 -2.13843 30.4299 57.5223 10.7683 57.5223 65.0952 GPRESSAVG: 2853200 -27.3103 0.240377 9.08968 -5.49455 31.1392 58.1837 9.59758 58.7289 65.8482 TIMING: 2853200 CPU: 8279.12, 0.0028959/step Wall: 8279.12, 0.0028959/step, 1.72692 hours remaining, 205.941406 MB of memory in use. ENERGY: 2853200 730.3681 2142.8816 1965.9169 102.2460 -205812.9406 17589.8029 0.0000 0.0000 34164.5004 -149117.2247 298.3671 -183281.7251 -149016.3044 298.8437 9.6765 40.4769 556951.1965 23.1459 23.2257 PRESSURE: 2853400 3.63207 -84.6623 -291.129 -84.662 41.3781 -260.501 -291.13 -260.499 -17.493 GPRESSURE: 2853400 13.1607 -66.9118 -189.347 -57.2725 73.6782 -213.338 -297.47 -239.88 32.9774 PRESSAVG: 2853400 24.9692 19.5274 -19.341 19.5274 0.827093 -60.8218 -19.3409 -60.8217 15.3584 GPRESSAVG: 2853400 24.7869 19.706 -20.1433 18.2959 1.51953 -62.7082 -16.6327 -59.4008 14.4625 TIMING: 2853400 CPU: 8279.7, 0.00290716/step Wall: 8279.7, 0.00290716/step, 1.73347 hours remaining, 205.941406 MB of memory in use. ENERGY: 2853400 741.9312 2038.6558 1964.1812 122.5048 -206166.2849 17625.6148 0.0000 0.0000 34381.7318 -149291.6654 300.2642 -183673.3971 -149191.0444 299.2193 9.1724 39.9388 557609.5539 13.7182 13.5896 PRESSURE: 2853600 -164.804 176.193 -105.163 176.192 -199.445 -129.563 -105.162 -129.561 11.4438 GPRESSURE: 2853600 -107.487 166.455 -65.56 136.766 -221.596 -217.556 -39.9867 -100.689 64.2664 PRESSAVG: 2853600 -65.4745 2.98348 32.4752 2.98347 -42.8197 -37.8259 32.4752 -37.826 57.3649 GPRESSAVG: 2853600 -64.5435 3.61053 33.6926 5.80461 -43.3287 -37.758 32.3522 -39.06 57.9545 TIMING: 2853600 CPU: 8280.27, 0.00287507/step Wall: 8280.27, 0.00287507/step, 1.71418 hours remaining, 205.941406 MB of memory in use. ENERGY: 2853600 742.6943 2077.1261 1959.4607 120.0236 -205933.0939 17423.3650 0.0000 0.0000 34291.5503 -149318.8739 299.4766 -183610.4242 -149230.5603 298.7346 -117.6020 -88.2720 557501.0987 -16.9764 -16.6392 PRESSURE: 2853800 -18.7462 -8.16216 -12.3807 -8.16238 -136.143 -106.055 -12.3812 -106.056 -61.1028 GPRESSURE: 2853800 -14.529 23.226 -13.6688 -74.4987 -59.8341 -122.271 -13.3107 -155.081 -47.0429 PRESSAVG: 2853800 -7.8713 -16.5425 13.3251 -16.5425 -44.0221 -31.0575 13.3251 -31.0576 -10.3292 GPRESSAVG: 2853800 -7.90321 -16.9655 13.4951 -17.9977 -44.063 -29.7517 12.9598 -32.4348 -9.89698 TIMING: 2853800 CPU: 8280.85, 0.00287721/step Wall: 8280.85, 0.00287721/step, 1.7153 hours remaining, 205.941406 MB of memory in use. ENERGY: 2853800 718.7834 2117.2716 2010.2974 114.9207 -206376.9731 17834.1030 0.0000 0.0000 34176.0889 -149405.5081 298.4683 -183581.5970 -149310.1765 298.9844 -71.9974 -40.4687 557396.8825 -20.7409 -20.6211 PRESSURE: 2854000 255.801 135.116 -108.807 135.117 -95.0646 16.0997 -108.807 16.1012 128.478 GPRESSURE: 2854000 286.332 179.486 -13.5817 188.88 -73.0355 76.645 -101.303 20.6767 170.291 PRESSAVG: 2854000 29.9796 -11.0358 4.62799 -11.0358 -48.501 -37.1555 4.62808 -37.1556 50.5303 GPRESSAVG: 2854000 30.011 -12.3973 2.8922 -10.5812 -49.1776 -39.1384 5.65801 -34.7788 50.5096 TIMING: 2854000 CPU: 8281.43, 0.00289384/step Wall: 8281.43, 0.00289383/step, 1.72505 hours remaining, 205.941406 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: 2854000 745.9030 2084.5194 1958.6723 119.5983 -206561.8372 18054.1213 0.0000 0.0000 34118.3604 -149480.6625 297.9641 -183599.0230 -149388.9531 299.0195 96.4049 127.8626 557128.2138 10.6696 10.4476 PRESSURE: 2854200 -6.81768 -7.41237 -13.0822 -7.4133 103.441 -74.2272 -13.0827 -74.2269 -51.5806 GPRESSURE: 2854200 36.2523 -15.9293 -15.3628 36.7582 126.448 -55.4466 16.451 -93.0892 -25.7146 PRESSAVG: 2854200 74.1425 -12.2602 15.1591 -12.2602 -0.872598 -38.0138 15.159 -38.0137 -57.4042 GPRESSAVG: 2854200 73.603 -11.8099 14.5222 -11.0119 1.34195 -39.0907 17.1376 -38.2422 -58.1143 TIMING: 2854200 CPU: 8282, 0.00288525/step Wall: 8282, 0.00288526/step, 1.71977 hours remaining, 205.941406 MB of memory in use. ENERGY: 2854200 776.9561 2054.7260 1945.6010 126.5365 -206331.5385 17916.0934 0.0000 0.0000 33877.2723 -149634.3532 295.8586 -183511.6255 -149544.9688 298.2910 15.0143 45.6618 556744.5218 5.2886 5.6102 PRESSURE: 2854400 36.558 -73.4763 -30.4731 -73.4789 -168.584 58.896 -30.4724 58.896 -234.784 GPRESSURE: 2854400 7.15641 -49.1713 -85.7498 0.978935 -175.581 93.668 -44.7198 43.7197 -109.183 PRESSAVG: 2854400 62.1934 -8.3753 58.7451 -8.37533 -63.1189 6.88335 58.7451 6.88334 -8.46748 GPRESSAVG: 2854400 62.8956 -9.3547 59.2709 -9.06267 -65.333 7.8068 54.6082 6.34374 -7.35478 TIMING: 2854400 CPU: 8282.58, 0.00287773/step Wall: 8282.58, 0.00287773/step, 1.71513 hours remaining, 205.941406 MB of memory in use. ENERGY: 2854400 761.2805 2061.9006 1957.4914 120.5237 -206081.5759 17632.4920 0.0000 0.0000 34123.6614 -149424.2262 298.0104 -183547.8875 -149329.9942 298.1978 -122.2701 -92.5360 556643.0039 -3.1310 -3.2641 PRESSURE: 2854600 28.306 26.9833 62.3774 26.9826 10.9102 117.911 62.3776 117.909 -295.375 GPRESSURE: 2854600 23.7087 66.32 90.122 -5.15026 12.3649 85.1717 20.6095 199.77 -212.557 PRESSAVG: 2854600 56.3551 -20.6257 69.6683 -20.6257 27.4186 66.5136 69.6683 66.5136 -11.3926 GPRESSAVG: 2854600 56.8865 -18.181 70.8009 -22.0219 27.6951 67.7861 71.2897 66.0007 -12.0889 TIMING: 2854600 CPU: 8283.15, 0.0028761/step Wall: 8283.15, 0.0028761/step, 1.71399 hours remaining, 206.007812 MB of memory in use. ENERGY: 2854600 759.4382 2029.0925 1952.1111 114.1273 -205870.9540 17706.7554 0.0000 0.0000 34107.2666 -149202.1629 297.8672 -183309.4295 -149104.1398 298.4395 -85.3863 -58.8278 559044.3834 24.1270 24.1642 PRESSURE: 2854800 41.2011 -82.1524 -26.2099 -82.1541 -213.677 -0.721715 -26.2103 -0.72035 -98.5579 GPRESSURE: 2854800 158.982 -102.199 -59.0538 -25.4814 -221.408 -7.34633 45.7266 -51.0342 -106.178 PRESSAVG: 2854800 -4.59373 -11.7738 -5.88693 -11.7739 -56.8542 -26.2922 -5.88698 -26.2921 57.7859 GPRESSAVG: 2854800 -6.06847 -11.6392 -7.66215 -10.1153 -55.9801 -27.6872 -5.99436 -24.8729 58.5182 TIMING: 2854800 CPU: 8283.73, 0.00288003/step Wall: 8283.73, 0.00288003/step, 1.71618 hours remaining, 206.007812 MB of memory in use. ENERGY: 2854800 719.8982 2053.5392 1931.0900 102.8692 -206155.9367 17699.5448 0.0000 0.0000 34243.5680 -149405.4273 299.0576 -183648.9953 -149306.5583 298.4364 -90.3446 -56.2014 558853.8215 -1.2207 -1.1768 PRESSURE: 2855000 -105.805 85.9883 101.766 85.9884 28.5124 -41.2431 101.767 -41.2429 -13.0295 GPRESSURE: 2855000 -73.5442 98.1641 189.066 60.7941 67.3437 -26.6263 30.7563 12.169 17.2715 PRESSAVG: 2855000 9.21313 55.7447 50.7599 55.7447 -66.6974 11.1 50.7599 11.1 24.7163 GPRESSAVG: 2855000 11.8117 55.2625 51.8998 53.2407 -68.0362 12.7756 50.9613 10.7935 23.3065 TIMING: 2855000 CPU: 8284.3, 0.00286686/step Wall: 8284.3, 0.00286686/step, 1.70817 hours remaining, 206.007812 MB of memory in use. ENERGY: 2855000 733.0698 2045.2439 1950.1188 116.3907 -206440.4079 17818.7523 0.0000 0.0000 34368.4398 -149408.3925 300.1481 -183776.8324 -149318.6844 298.8117 -30.1072 3.6903 555192.7999 -10.9227 -10.9727 PRESSURE: 2855200 -26.4574 32.4667 -57.0252 32.467 -9.81107 36.3723 -57.0259 36.3743 187.959 GPRESSURE: 2855200 26.0116 -19.1946 -85.4717 56.1284 -14.1502 48.9682 -96.2741 6.85028 243.358 PRESSAVG: 2855200 23.3081 -21.4876 -41.079 -21.4875 25.6858 -2.36458 -41.0792 -2.36459 -16.8395 GPRESSAVG: 2855200 21.1941 -22.7112 -41.2129 -18.1937 26.3825 -2.43862 -41.3034 -2.95712 -15.8342 TIMING: 2855200 CPU: 8284.88, 0.00288051/step Wall: 8284.88, 0.00288051/step, 1.71615 hours remaining, 206.007812 MB of memory in use. ENERGY: 2855200 718.8221 2071.7810 1923.1356 107.7043 -206165.0832 17744.1648 0.0000 0.0000 34076.8171 -149522.6583 297.6013 -183599.4754 -149426.9258 298.4141 50.5636 85.0730 556499.6939 10.7181 10.5808 PRESSURE: 2855400 51.6547 -35.0697 -152.562 -35.0704 -43.8645 16.4078 -152.562 16.4067 133.084 GPRESSURE: 2855400 77.2135 4.87618 -84.5937 -164.447 49.5595 -63.7398 -95.0301 116.191 111.412 PRESSAVG: 2855400 53.7538 -31.8279 -21.5171 -31.8279 -50.8802 46.7948 -21.517 46.7947 33.9914 GPRESSAVG: 2855400 54.3916 -29.7769 -21.0754 -33.2199 -50.4037 45.7442 -21.7024 48.1764 33.2431 TIMING: 2855400 CPU: 8285.46, 0.00287842/step Wall: 8285.46, 0.00287842/step, 1.71474 hours remaining, 206.179688 MB of memory in use. ENERGY: 2855400 753.3263 2024.5362 1964.9998 111.3499 -206448.4542 17949.2791 0.0000 0.0000 34187.4283 -149457.5346 298.5673 -183644.9629 -149359.4440 298.6385 46.9579 79.3951 556903.6449 12.2883 12.4103 PRESSURE: 2855600 -56.5858 -52.0618 103.69 -52.0607 71.1096 226.808 103.691 226.811 -158.971 GPRESSURE: 2855600 34.1094 -61.0361 186.055 -63.6358 77.0054 177.869 68.3303 255.082 -149.39 PRESSAVG: 2855600 -13.5713 13.3784 4.74423 13.3784 -20.6026 19.357 4.74417 19.357 2.5537 GPRESSAVG: 2855600 -12.5831 11.912 5.78707 15.1568 -21.0773 19.3924 4.41758 19.3733 2.6585 TIMING: 2855600 CPU: 8286.03, 0.0028848/step Wall: 8286.03, 0.0028848/step, 1.71838 hours remaining, 206.179688 MB of memory in use. ENERGY: 2855600 726.5371 2067.7662 1949.0597 118.3518 -206204.9849 17704.7670 0.0000 0.0000 34176.4325 -149462.0705 298.4713 -183638.5031 -149368.5148 298.7632 -48.1492 -12.7583 556604.2280 -10.5401 -10.3340 PRESSURE: 2855800 -182.714 64.8339 204.296 64.8342 -360.681 74.1017 204.297 74.1017 -206.874 GPRESSURE: 2855800 -145.158 51.2115 159.636 103.103 -329.76 130.656 194.283 96.1902 -185.735 PRESSAVG: 2855800 14.0313 13.1201 43.2725 13.12 -18.4217 33.9545 43.2725 33.9544 -0.8051 GPRESSAVG: 2855800 13.7314 12.9566 41.1765 10.0437 -19.8819 36.755 44.2546 32.9887 0.603143 TIMING: 2855800 CPU: 8286.61, 0.00290689/step Wall: 8286.61, 0.00290689/step, 1.73138 hours remaining, 206.179688 MB of memory in use. ENERGY: 2855800 737.2089 2052.9251 1944.6217 118.0036 -206081.3105 17475.0943 0.0000 0.0000 34000.4575 -149752.9995 296.9345 -183753.4569 -149657.2972 297.8832 -250.0898 -220.2175 558015.3956 -1.7318 -1.8491 PRESSURE: 2856000 -72.4102 230.945 -1.09544 230.944 -229.924 -0.893175 -1.09559 -0.893208 51.4574 GPRESSURE: 2856000 -51.6442 246.722 6.44706 176.712 -243.884 12.4044 -83.1051 -43.3423 138.308 PRESSAVG: 2856000 -50.4975 -34.876 -1.7086 -34.8759 11.4778 55.5467 -1.70857 55.5468 51.4082 GPRESSAVG: 2856000 -50.6254 -33.1657 0.63026 -33.0737 12.7112 54.5415 -2.57266 54.0599 50.1978 TIMING: 2856000 CPU: 8287.2, 0.00290939/step Wall: 8287.2, 0.00290939/step, 1.7327 hours remaining, 206.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2856000 726.0937 2135.2594 1949.6024 112.2612 -206655.6006 17846.7805 0.0000 0.0000 34045.0226 -149840.5807 297.3236 -183885.6033 -149751.5649 297.6071 -83.6255 -52.4069 556876.8141 4.1295 4.0945 PRESSURE: 2856200 -3.80524 15.111 114.663 15.1118 -244.672 -68.396 114.664 -68.3954 231.28 GPRESSURE: 2856200 47.4239 23.6115 145.921 76.9565 -241.169 15.5937 120.777 -44.7048 287.902 PRESSAVG: 2856200 -47.4683 -11.972 -17.6415 -11.9721 -18.2489 -31.0073 -17.6416 -31.0073 95.6991 GPRESSAVG: 2856200 -47.5506 -12.5476 -19.0986 -12.028 -18.1885 -30.6433 -16.5118 -28.7782 95.6442 TIMING: 2856200 CPU: 8287.78, 0.00290009/step Wall: 8287.78, 0.00290009/step, 1.72701 hours remaining, 206.179688 MB of memory in use. ENERGY: 2856200 717.9433 2110.8085 1933.2415 109.6274 -206735.5792 17914.3216 0.0000 0.0000 34084.9498 -149864.6871 297.6723 -183949.6369 -149769.8952 297.6088 -5.7323 31.3859 556273.6505 9.9940 9.9684 LDB: ============= START OF LOAD BALANCING ============== 8291.24 LDB: ============== END OF LOAD BALANCING =============== 8291.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8291.24 LDB: ============= START OF LOAD BALANCING ============== 8291.54 LDB: Largest compute 4821 load 0.028356 is 24.1% of average load 0.117823 LDB: Average compute 0.001716 is 1.5% of average load 0.117823 LDB: TIME 8291.54 LOAD: AVG 0.117823 MAX 0.17973 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 8291.54 LOAD: AVG 0.117823 MAX 0.17973 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: TIME 8291.54 LOAD: AVG 0.117823 MAX 0.17973 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8291.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8291.55 PRESSURE: 2856400 -136.018 -16.7296 30.3596 -16.7282 -236.984 -60.1214 30.3603 -60.1221 -122.289 GPRESSURE: 2856400 -53.8513 -3.30156 22.0396 -19.6806 -220.804 -76.4381 -72.8435 -64.4777 -116.563 PRESSAVG: 2856400 -57.5773 42.4158 32.9447 42.4158 -40.7407 -12.4679 32.9447 -12.4679 72.1787 GPRESSAVG: 2856400 -58.2316 40.5105 31.5226 43.3635 -40.7953 -13.0365 34.1058 -12.7627 72.9725 TIMING: 2856400 CPU: 8288.37, 0.0029848/step Wall: 8288.37, 0.0029848/step, 1.77729 hours remaining, 206.648438 MB of memory in use. ENERGY: 2856400 726.1771 2136.7759 1956.2883 125.3188 -206497.9642 17592.9209 0.0000 0.0000 34000.2089 -149960.2744 296.9323 -183960.4833 -149859.5430 297.7421 -165.0967 -130.4063 558375.7653 -8.7131 -8.6848 PRESSURE: 2856600 -122.849 -42.695 22.6861 -42.6953 318.825 166.551 22.6863 166.552 52.2696 GPRESSURE: 2856600 -76.3825 -68.0261 70.148 -74.593 367.657 199.496 -7.44872 197.668 46.8962 PRESSAVG: 2856600 -16.5184 -11.9038 -29.7397 -11.9038 -71.2898 7.11416 -29.7397 7.11416 76.952 GPRESSAVG: 2856600 -17.2815 -10.1369 -29.0259 -14.405 -70.8203 8.90399 -29.7329 7.25741 77.0049 TIMING: 2856600 CPU: 8288.96, 0.00291319/step Wall: 8288.96, 0.00291319/step, 1.73448 hours remaining, 206.648438 MB of memory in use. ENERGY: 2856600 704.1251 2103.2551 1960.1517 119.1830 -206933.6415 17936.2808 0.0000 0.0000 34210.5389 -149900.1070 298.7691 -184110.6458 -149806.0987 297.2342 82.7487 112.7235 555070.2403 -3.6187 -3.6990 PRESSURE: 2856800 -313.136 177.604 -125.122 177.603 -152.651 117.485 -125.124 117.483 -360.263 GPRESSURE: 2856800 -230.71 151.573 -169.054 145.377 -115.283 185.606 -137.586 65.8783 -375.526 PRESSAVG: 2856800 12.3628 24.3091 -22.0631 24.3091 1.80484 -29.8887 -22.063 -29.8888 -15.5555 GPRESSAVG: 2856800 13.9652 22.7047 -21.5541 24.669 0.819272 -32.3076 -24.3856 -31.7635 -16.8218 TIMING: 2856800 CPU: 8289.54, 0.00291702/step Wall: 8289.54, 0.00291702/step, 1.7366 hours remaining, 206.648438 MB of memory in use. ENERGY: 2856800 741.4381 2100.8610 1981.8692 101.9256 -206209.3239 17442.4870 0.0000 0.0000 33949.5127 -149891.2303 296.4895 -183840.7430 -149796.8972 297.6432 -275.3500 -240.5063 556729.9227 -0.4626 -0.6791 PRESSURE: 2857000 48.5558 110.035 -34.35 110.035 154.383 93.2591 -34.3501 93.2581 189.248 GPRESSURE: 2857000 50.4595 192.845 -40.6153 86.1404 186.345 168.105 87.9093 72.2493 248.57 PRESSAVG: 2857000 -32.5768 48.6772 -10.896 48.677 4.8562 -14.2814 -10.8959 -14.2814 12.8123 GPRESSAVG: 2857000 -33.8882 48.6056 -10.8978 49.3742 6.13488 -13.4426 -10.0276 -12.589 12.6963 TIMING: 2857000 CPU: 8290.12, 0.00291505/step Wall: 8290.12, 0.00291505/step, 1.73526 hours remaining, 206.773438 MB of memory in use. ENERGY: 2857000 744.8354 2087.5638 1964.7568 106.9933 -206900.6006 18018.2084 0.0000 0.0000 34193.0955 -149785.1474 298.6168 -183978.2429 -149687.3108 297.6311 130.7290 161.7915 555948.8925 -4.9694 -5.0190 PRESSURE: 2857200 53.1299 28.8884 -11.8232 28.8876 100.922 -141.912 -11.8232 -141.911 -164.615 GPRESSURE: 2857200 80.6967 12.749 -72.3943 14.0037 83.0859 -128.733 43.7995 -182.215 -82.6614 PRESSAVG: 2857200 -20.6486 24.8286 -0.55022 24.8286 8.95697 -10.7514 -0.550267 -10.7513 27.1105 GPRESSAVG: 2857200 -19.8173 26.0327 -1.54366 23.963 7.68562 -9.06013 0.640983 -11.7459 27.2404 TIMING: 2857200 CPU: 8290.7, 0.00288303/step Wall: 8290.7, 0.00288303/step, 1.71604 hours remaining, 206.773438 MB of memory in use. ENERGY: 2857200 764.0869 2085.6964 1944.2046 114.0751 -206967.0436 18129.9651 0.0000 0.0000 34172.0693 -149756.9462 298.4332 -183929.0155 -149664.9672 297.3920 -3.5210 27.0404 556785.7598 5.1396 5.0362 PRESSURE: 2857400 -10.2135 164.73 180.393 164.73 199.826 -9.50094 180.393 -9.50084 135.414 GPRESSURE: 2857400 4.14098 214.802 108.764 90.3599 223.332 17.642 171.491 -36.3703 185.679 PRESSAVG: 2857400 -40.0994 31.5643 18.2111 31.5643 44.9498 -54.5211 18.2111 -54.5211 8.45597 GPRESSAVG: 2857400 -41.8258 32.3703 16.6512 30.8372 45.2386 -57.1078 18.2025 -54.1865 9.69836 TIMING: 2857400 CPU: 8291.28, 0.00289872/step Wall: 8291.28, 0.00289872/step, 1.72522 hours remaining, 206.773438 MB of memory in use. ENERGY: 2857400 743.1619 2054.7748 1924.5561 114.5268 -206558.3291 17938.2163 0.0000 0.0000 33906.3528 -149876.7403 296.1126 -183783.0932 -149775.4677 296.9343 108.3420 137.7173 557253.8387 4.4355 4.3704 PRESSURE: 2857600 -95.0111 -21.1463 -31.679 -21.1448 150.438 120.229 -31.6786 120.229 -216.102 GPRESSURE: 2857600 -53.8784 -58.6566 -54.008 116.541 184.659 143.314 -67.2267 152.115 -184.475 PRESSAVG: 2857600 -66.9416 44.695 -24.5412 44.6951 34.207 27.1503 -24.5411 27.1502 8.74845 GPRESSAVG: 2857600 -64.9233 42.4004 -21.2503 46.9051 33.1482 28.0482 -25.7902 26.5402 7.38044 TIMING: 2857600 CPU: 8291.85, 0.00287635/step Wall: 8291.85, 0.00287635/step, 1.71175 hours remaining, 206.773438 MB of memory in use. ENERGY: 2857600 733.8662 2071.3668 1954.4958 122.9590 -206374.0313 17802.7571 0.0000 0.0000 34085.9447 -149602.6417 297.6810 -183688.5864 -149508.4877 297.3113 -53.5586 -17.8981 557942.9944 -7.9954 -8.1316 PRESSURE: 2857800 -125.244 115.342 -51.4639 115.342 100.382 10.3964 -51.4638 10.3974 70.6779 GPRESSURE: 2857800 -63.9087 203.649 -64.059 2.88493 131.178 31.1369 -78.6498 -37.9835 69.2766 PRESSAVG: 2857800 -0.117572 11.406 -35.8357 11.406 -14.0341 -3.70305 -35.8358 -3.70295 10.6915 GPRESSAVG: 2857800 -1.54312 12.9678 -36.2614 9.89876 -13.8351 -5.25263 -35.5926 -1.97393 11.2896 TIMING: 2857800 CPU: 8292.44, 0.00290833/step Wall: 8292.44, 0.00290833/step, 1.73062 hours remaining, 206.773438 MB of memory in use. ENERGY: 2857800 738.9671 2169.0782 1942.1499 105.7287 -206510.8457 17839.1759 0.0000 0.0000 34264.8227 -149450.9232 299.2432 -183715.7459 -149360.9798 299.3178 15.2722 45.5152 556993.1599 -1.1534 -1.3629 PRESSURE: 2858000 -72.5022 -60.5112 155.639 -60.5119 -120.452 -44.5008 155.638 -44.5004 118.026 GPRESSURE: 2858000 -79.9985 -49.9757 223.976 -11.5007 -102.505 -47.2559 160.495 -41.2686 190.967 PRESSAVG: 2858000 -71.0492 -28.5967 38.7228 -28.5967 9.67067 51.3387 38.7227 51.3388 35.0246 GPRESSAVG: 2858000 -71.0078 -29.4039 37.058 -27.4014 9.95275 52.2788 39.8791 50.7289 34.5275 TIMING: 2858000 CPU: 8293.02, 0.002911/step Wall: 8293.02, 0.002911/step, 1.73204 hours remaining, 206.773438 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: 2858000 738.3823 2080.6726 1979.9066 110.3476 -206348.6409 17680.9703 0.0000 0.0000 34244.5785 -149513.7829 299.0664 -183758.3614 -149422.8729 298.2203 -24.9762 2.8210 555946.4368 -8.7846 -8.8425 PRESSURE: 2858200 -244.018 138.055 -22.1001 138.055 -89.4981 75.6983 -22.1002 75.6953 -66.0265 GPRESSURE: 2858200 -168.295 233.274 -18.0487 79.4017 -28.4238 62.9519 -70.6404 67.6881 -101.007 PRESSAVG: 2858200 -48.836 -7.55258 73.5292 -7.5526 4.22624 25.2867 73.5291 25.2866 94.7324 GPRESSAVG: 2858200 -48.4804 -8.36188 74.6394 -9.23384 3.80191 25.7159 71.7597 24.9151 94.7875 TIMING: 2858200 CPU: 8293.6, 0.00290713/step Wall: 8293.6, 0.00290713/step, 1.72958 hours remaining, 206.773438 MB of memory in use. ENERGY: 2858200 744.4296 2106.6565 1951.6874 107.2387 -206434.4849 17796.5431 0.0000 0.0000 34200.9929 -149526.9366 298.6858 -183727.9295 -149442.6633 298.7866 -133.1808 -99.2421 556948.1656 16.7075 16.7030 PRESSURE: 2858400 -420.203 18.0904 55.3865 18.0907 -73.1169 42.3462 55.3845 42.3469 -140.271 GPRESSURE: 2858400 -400.697 119.103 64.9632 -25.7373 -82.5586 -36.0002 147.663 113.316 -67.1579 PRESSAVG: 2858400 -80.9693 -25.7813 7.66744 -25.7813 25.0063 27.3527 7.66749 27.3528 11.456 GPRESSAVG: 2858400 -81.5962 -24.1435 6.49576 -24.8067 25.7401 23.6275 10.5196 29.8642 11.2314 TIMING: 2858400 CPU: 8294.18, 0.0029065/step Wall: 8294.18, 0.0029065/step, 1.72905 hours remaining, 206.773438 MB of memory in use. ENERGY: 2858400 730.9569 2068.7266 1950.2224 118.7593 -205693.2655 17270.2757 0.0000 0.0000 34274.0456 -149280.2790 299.3238 -183554.3246 -149177.8903 298.9635 -211.1971 -183.4713 557032.4384 -14.8356 -14.8749 PRESSURE: 2858600 -70.3667 7.37338 -51.555 7.3755 85.7803 84.8516 -51.5551 84.8503 -21.2048 GPRESSURE: 2858600 -30.4314 90.5238 -82.0961 -23.9978 121.25 84.8502 20.8569 48.5655 -2.7684 PRESSAVG: 2858600 -3.97051 -66.8572 -39.8284 -66.8572 29.6196 15.6127 -39.8284 15.6128 -9.07634 GPRESSAVG: 2858600 -4.96354 -67.2008 -39.7747 -69.2754 30.2676 20.0945 -40.9545 12.4769 -8.02426 TIMING: 2858600 CPU: 8294.76, 0.00289674/step Wall: 8294.76, 0.00289674/step, 1.72308 hours remaining, 206.773438 MB of memory in use. ENERGY: 2858600 766.4632 2056.4067 1935.3763 121.1841 -206376.7560 17850.3730 0.0000 0.0000 34484.0468 -149162.9058 301.1578 -183646.9527 -149062.3645 299.3435 -1.9304 29.3500 558173.7146 5.5242 5.7599 PRESSURE: 2858800 -10.5305 138.82 -21.2959 138.819 69.772 170.806 -21.2966 170.805 -45.0103 GPRESSURE: 2858800 69.7858 73.2696 45.9048 133.68 63.1168 110.586 -175.609 229.938 -29.4024 PRESSAVG: 2858800 -2.64564 8.7115 5.41053 8.71147 -36.6541 -57.2712 5.41054 -57.2712 51.0087 GPRESSAVG: 2858800 -0.954369 10.0375 5.57251 9.54952 -37.7351 -58.7126 4.01264 -56.8027 50.6768 TIMING: 2858800 CPU: 8295.34, 0.00289374/step Wall: 8295.34, 0.00289374/step, 1.72113 hours remaining, 206.773438 MB of memory in use. ENERGY: 2858800 751.8285 2063.8099 1944.8154 117.4030 -206415.8779 17954.1481 0.0000 0.0000 34438.4181 -149145.4550 300.7593 -183583.8731 -149051.6780 299.2506 4.7438 34.5001 558860.1523 3.9030 3.9958 PRESSURE: 2859000 -367.557 13.1209 -75.083 13.1221 -118.995 57.6501 -75.0837 57.6503 -292.759 GPRESSURE: 2859000 -325.565 -7.44595 -68.5112 29.4952 -115.131 1.37416 -18.7935 105.915 -242.215 PRESSAVG: 2859000 -66.2094 -2.22326 10.3784 -2.22324 -15.5638 -51.1719 10.3784 -51.1719 61.1725 GPRESSAVG: 2859000 -66.5801 -4.58891 10.0383 -0.938996 -14.8527 -50.3514 12.374 -49.9776 60.5822 TIMING: 2859000 CPU: 8295.92, 0.00290719/step Wall: 8295.92, 0.00290719/step, 1.72897 hours remaining, 206.773438 MB of memory in use. ENERGY: 2859000 757.8919 2039.1040 1940.8797 126.9864 -205885.2932 17582.1583 0.0000 0.0000 34344.9016 -149093.3713 299.9426 -183438.2729 -148990.3970 299.3561 -259.7704 -227.6370 559440.2008 -6.8669 -6.9502 PRESSURE: 2859200 23.493 -141.747 -14.3044 -141.747 345.378 40.6011 -14.3043 40.5986 217.524 GPRESSURE: 2859200 42.7567 -135.758 -60.7576 -42.2835 412.676 35.3348 41.6312 -0.705448 229.529 PRESSAVG: 2859200 -34.7149 1.25708 -2.02499 1.25704 62.9064 -23.9863 -2.02496 -23.9863 15.4544 GPRESSAVG: 2859200 -35.1045 2.64391 -3.96257 1.16376 63.9465 -23.0248 -2.19259 -25.6587 14.8475 TIMING: 2859200 CPU: 8296.5, 0.00290364/step Wall: 8296.5, 0.00290364/step, 1.7267 hours remaining, 206.773438 MB of memory in use. ENERGY: 2859200 699.8186 2093.2931 1978.2235 126.1948 -206081.1408 17899.3103 0.0000 0.0000 34260.6040 -149023.6967 299.2064 -183284.3007 -148924.0826 299.9847 195.4650 228.3205 557023.3749 14.5487 14.5632 PRESSURE: 2859400 194.274 -134.101 -86.9802 -134.101 168.228 59.3902 -86.979 59.3902 45.7266 GPRESSURE: 2859400 201.155 -140.735 1.53674 -158.066 240.858 119.48 -118.371 72.0109 69.9549 PRESSAVG: 2859400 -74.8855 -24.9259 -21.7365 -24.9259 57.4533 69.0169 -21.7365 69.0168 -8.63547 GPRESSAVG: 2859400 -74.5524 -26.0067 -20.377 -25.0725 56.6497 67.3492 -22.1032 69.2858 -8.47162 TIMING: 2859400 CPU: 8297.08, 0.00288277/step Wall: 8297.08, 0.00288277/step, 1.71413 hours remaining, 206.773438 MB of memory in use. ENERGY: 2859400 752.1195 2043.3629 1986.0258 116.5261 -206183.3417 17990.9089 0.0000 0.0000 34416.5765 -148877.8220 300.5685 -183294.3986 -148776.2563 299.9343 136.0761 170.6562 557041.8110 -8.6892 -8.7914 PRESSURE: 2859600 -62.4379 -153.791 24.7601 -153.791 -326.498 -244.558 24.7606 -244.559 -22.1096 GPRESSURE: 2859600 -20.5282 -216.729 27.2521 -53.3109 -300.05 -157.212 -15.795 -273.668 11.3966 PRESSAVG: 2859600 -39.0637 -22.0608 37.7889 -22.0607 30.3433 -46.4921 37.7888 -46.4922 -3.74087 GPRESSAVG: 2859600 -41.5252 -23.4959 39.8411 -21.4595 31.0775 -46.0728 36.8771 -47.3918 -2.12246 TIMING: 2859600 CPU: 8297.65, 0.00288749/step Wall: 8297.65, 0.00288749/step, 1.71677 hours remaining, 207.003906 MB of memory in use. ENERGY: 2859600 752.7186 2139.2678 1981.2347 117.3777 -205880.4937 17599.4602 0.0000 0.0000 34337.3006 -148953.1341 299.8762 -183290.4347 -148858.0335 300.4410 -137.0153 -103.0607 557533.4399 -4.1538 -4.1901 PRESSURE: 2859800 150.803 161.064 1.45154 161.063 18.856 -76.9945 1.45024 -76.9951 120.876 GPRESSURE: 2859800 146.693 187.094 -44.6616 150.297 54.3859 -48.2802 26.9534 -77.5282 190.142 PRESSAVG: 2859800 -27.708 20.7469 30.0936 20.747 -6.58029 9.29694 30.0935 9.29703 5.33656 GPRESSAVG: 2859800 -26.0001 22.5351 27.1716 19.9293 -7.90553 9.25474 29.3771 10.5832 4.8957 TIMING: 2859800 CPU: 8298.23, 0.00288634/step Wall: 8298.23, 0.00288634/step, 1.71593 hours remaining, 207.003906 MB of memory in use. ENERGY: 2859800 748.4548 2001.8501 1976.7243 113.4814 -205819.1582 17699.0078 0.0000 0.0000 34336.5372 -148943.1026 299.8695 -183279.6398 -148847.9434 300.4628 96.8450 130.4069 556371.9842 -9.6506 -9.6700 PRESSURE: 2860000 -311.604 -77.3406 63.2268 -77.3402 -257.096 -91.1207 63.2272 -91.1191 -225.991 GPRESSURE: 2860000 -246.536 38.7218 100.501 -166.552 -210.474 -98.8255 -2.86601 -4.86001 -242.746 PRESSAVG: 2860000 -11.6606 16.588 -10.8617 16.5879 41.4056 19.1013 -10.8619 19.1012 -6.1303 GPRESSAVG: 2860000 -10.5696 15.5502 -8.65683 17.9778 41.1607 19.8837 -10.3546 17.4944 -7.27093 TIMING: 2860000 CPU: 8298.81, 0.00289268/step Wall: 8298.81, 0.00289268/step, 1.71954 hours remaining, 207.003906 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: 2860000 718.4288 2103.7723 1954.1598 114.6357 -205597.6493 17349.6095 0.0000 0.0000 34463.2900 -148893.7532 300.9765 -183357.0432 -148792.6684 300.1306 -264.8968 -233.2518 558130.9560 7.8716 7.7734 PRESSURE: 2860200 -122.127 50.9583 153.688 50.9594 222.45 -125.662 153.688 -125.661 -97.5004 GPRESSURE: 2860200 -38.1662 106.845 144.173 -10.1975 224.504 -202.264 185.147 -117.651 -74.3999 PRESSAVG: 2860200 24.47 -22.36 17.9121 -22.3601 -13.1808 -31.6103 17.9121 -31.6103 -40.3431 GPRESSAVG: 2860200 24.003 -20.7399 16.2568 -25.2875 -13.6225 -32.8535 18.4702 -29.6859 -39.5435 TIMING: 2860200 CPU: 8299.39, 0.002893/step Wall: 8299.39, 0.002893/step, 1.71956 hours remaining, 207.003906 MB of memory in use. ENERGY: 2860200 777.4012 2087.8181 1950.9403 119.3358 -206088.0236 17843.3390 0.0000 0.0000 34305.0381 -149004.1512 299.5944 -183309.1892 -148908.4772 299.6177 0.9409 37.3126 556690.8586 -9.6846 -9.7210 LDB: ============= START OF LOAD BALANCING ============== 8302.85 LDB: ============== END OF LOAD BALANCING =============== 8302.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8302.86 LDB: ============= START OF LOAD BALANCING ============== 8303.15 LDB: Largest compute 4820 load 0.028901 is 24.5% of average load 0.117821 LDB: Average compute 0.001709 is 1.5% of average load 0.117821 LDB: TIME 8303.15 LOAD: AVG 0.117821 MAX 0.178032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 8303.15 LOAD: AVG 0.117821 MAX 0.178032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 8303.15 LOAD: AVG 0.117821 MAX 0.178032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 8303.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8303.16 PRESSURE: 2860400 153.22 -124.468 -13.1105 -124.469 189.093 -208.86 -13.1105 -208.859 110.008 GPRESSURE: 2860400 193.341 -176.608 -97.3121 -103.469 202.876 -333.05 34.7845 -149.028 149.772 PRESSAVG: 2860400 -6.39508 49.284 6.46849 49.2839 33.0066 -22.1859 6.46859 -22.1858 -0.411261 GPRESSAVG: 2860400 -7.79431 47.1167 8.73719 51.2052 34.4278 -21.0354 6.13418 -22.5612 -0.461433 TIMING: 2860400 CPU: 8299.98, 0.00295846/step Wall: 8299.98, 0.00295846/step, 1.75831 hours remaining, 205.792969 MB of memory in use. ENERGY: 2860400 750.8931 2069.2299 1978.5418 118.1070 -206082.1007 17939.4040 0.0000 0.0000 34220.3693 -149005.5555 298.8550 -183225.9248 -148913.2580 299.7779 150.7735 181.9962 556827.0783 8.7334 8.7240 PRESSURE: 2860600 -34.1367 -48.6007 -54.1166 -48.6011 -50.3495 14.8764 -54.1171 14.8766 -128.552 GPRESSURE: 2860600 -45.507 -91.6808 -56.1339 -44.3993 -14.2725 45.1805 -1.11025 22.8098 -33.0029 PRESSAVG: 2860600 51.8154 -4.42486 -25.4495 -4.42481 9.9295 -52.9641 -25.4496 -52.9642 -44.4692 GPRESSAVG: 2860600 51.3832 -1.85902 -26.0818 -4.82374 9.69509 -53.9806 -24.3921 -53.8828 -43.6924 TIMING: 2860600 CPU: 8300.56, 0.00290772/step Wall: 8300.56, 0.00290772/step, 1.72799 hours remaining, 205.804688 MB of memory in use. ENERGY: 2860600 747.3299 2096.5750 2003.2254 122.0342 -206032.5637 17686.8650 0.0000 0.0000 34416.5303 -148960.0038 300.5681 -183376.5341 -148860.6748 299.4147 -71.0127 -30.9274 558182.4675 5.7586 5.7953 PRESSURE: 2860800 -126.832 128.912 14.853 128.912 -13.7136 49.5369 14.8537 49.5379 -93.6939 GPRESSURE: 2860800 -126.02 26.6787 -18.7955 161.262 64.3786 106.331 60.6023 52.5514 -66.0325 PRESSAVG: 2860800 -27.5964 -48.7833 -2.48361 -48.7833 23.951 -10.4173 -2.4836 -10.4173 35.7053 GPRESSAVG: 2860800 -27.0141 -50.4988 -4.01143 -48.8797 24.432 -9.08433 -2.02617 -9.39138 34.2844 TIMING: 2860800 CPU: 8301.14, 0.00290319/step Wall: 8301.14, 0.00290319/step, 1.72514 hours remaining, 206.062500 MB of memory in use. ENERGY: 2860800 721.1981 2183.1538 1981.8516 111.0112 -205914.9800 17713.1527 0.0000 0.0000 34265.0296 -148939.5830 299.2450 -183204.6126 -148838.7403 300.1269 -78.0800 -42.5579 558399.8188 10.6866 10.5674 PRESSURE: 2861000 -123.956 -258.66 -31.4507 -258.661 -300.177 33.4489 -31.4506 33.4488 -179.848 GPRESSURE: 2861000 -111.372 -369.077 3.07943 -179.588 -254.327 44.0303 -39.2004 -30.7387 -145.255 PRESSAVG: 2861000 0.587752 -25.1878 -43.738 -25.1879 -3.39067 48.9308 -43.738 48.9309 -7.09182 GPRESSAVG: 2861000 -0.464734 -22.7556 -41.1952 -25.1224 -3.41429 48.3985 -47.7135 48.3861 -5.75741 TIMING: 2861000 CPU: 8301.72, 0.00290156/step Wall: 8301.72, 0.00290156/step, 1.72401 hours remaining, 206.062500 MB of memory in use. ENERGY: 2861000 757.4762 2151.3078 1983.0504 119.6250 -205751.7695 17546.1778 0.0000 0.0000 34398.2058 -148795.9265 300.4081 -183194.1323 -148701.7682 299.9560 -201.3270 -170.3180 559377.7722 -3.2982 -3.2121 PRESSURE: 2861200 -118.599 98.9328 -59.8483 98.9337 -160.151 14.7026 -59.8502 14.7026 -125.406 GPRESSURE: 2861200 -47.4615 33.4139 -153.381 82.7879 -160.836 -5.51217 3.58335 -7.9464 -110.935 PRESSAVG: 2861200 -43.2009 -27.8379 -35.2651 -27.8378 -74.1417 16.4432 -35.2651 16.443 87.4553 GPRESSAVG: 2861200 -42.961 -28.9111 -35.8837 -27.524 -73.8779 15.5839 -34.0463 17.9414 87.5252 TIMING: 2861200 CPU: 8302.31, 0.00291891/step Wall: 8302.31, 0.00291891/step, 1.73415 hours remaining, 206.062500 MB of memory in use. ENERGY: 2861200 776.8936 2139.9609 1977.6197 116.8739 -206264.0642 17877.5537 0.0000 0.0000 34568.6511 -148806.5112 301.8966 -183375.1623 -148713.5419 300.3404 -134.7187 -106.4109 559030.8400 -9.9624 -9.7713 PRESSURE: 2861400 -277.188 49.1658 145.754 49.1658 -121.986 35.1936 145.754 35.1918 -84.4189 GPRESSURE: 2861400 -262.208 168.713 175.327 101.131 -46.177 66.1534 72.6188 58.3655 -78.188 PRESSAVG: 2861400 -45.2854 17.9726 -6.73419 17.9726 -28.7095 6.97265 -6.73406 6.97266 93.7274 GPRESSAVG: 2861400 -44.8403 18.4613 -6.85746 19.2373 -28.2935 6.52228 -6.71794 3.89191 92.6907 TIMING: 2861400 CPU: 8302.89, 0.00289849/step Wall: 8302.89, 0.00289849/step, 1.72186 hours remaining, 206.062500 MB of memory in use. ENERGY: 2861400 753.2669 2114.7399 1969.7442 114.0189 -205393.0163 17577.6091 0.0000 0.0000 34215.8774 -148647.7599 298.8158 -182863.6373 -148551.3843 300.9875 -161.1976 -128.8577 560084.7047 6.5775 6.5190 PRESSURE: 2861600 -209.067 63.8747 12.7567 63.8749 32.9241 -105.458 12.7568 -105.457 -182.922 GPRESSURE: 2861600 -142.007 62.5278 26.2664 78.5514 14.701 -25.5329 58.4873 -173.21 -141.238 PRESSAVG: 2861600 4.46405 2.14929 -15.8631 2.14926 -13.9311 4.60466 -15.863 4.60433 6.78376 GPRESSAVG: 2861600 5.00039 0.730782 -14.1996 2.68207 -14.2788 5.61989 -16.5512 4.42707 6.64093 TIMING: 2861600 CPU: 8303.47, 0.00289476/step Wall: 8303.47, 0.00289476/step, 1.71949 hours remaining, 206.062500 MB of memory in use. ENERGY: 2861600 733.3405 2055.6194 1975.1285 115.0248 -205376.5711 17487.9371 0.0000 0.0000 34394.8592 -148614.6616 300.3789 -183009.5208 -148521.1106 300.7230 -119.6883 -89.5148 558894.4924 -0.8944 -0.8792 PRESSURE: 2861800 -42.2826 135.767 55.7458 135.768 -188.762 -10.8246 55.7472 -10.8238 73.9364 GPRESSURE: 2861800 -24.5657 148.703 51.2075 80.1414 -173.748 -83.8667 55.6035 63.1338 126.236 PRESSAVG: 2861800 23.7494 -5.59072 34.3971 -5.59062 27.7158 -2.419 34.397 -2.419 -67.7627 GPRESSAVG: 2861800 23.0415 -5.59507 31.3554 -6.82699 27.3992 -1.97778 37.231 0.118865 -66.5524 TIMING: 2861800 CPU: 8304.05, 0.00290906/step Wall: 8304.05, 0.00290906/step, 1.72782 hours remaining, 206.062500 MB of memory in use. ENERGY: 2861800 743.4140 2087.3590 2007.1476 112.4177 -205360.6194 17383.5426 0.0000 0.0000 34474.3790 -148552.3594 301.0733 -183026.7384 -148459.1979 301.0881 -52.3694 -24.0258 556771.4983 -5.4325 -5.3705 PRESSURE: 2862000 -187.168 173.594 17.5417 173.594 136.972 -27.6293 17.5423 -27.628 236.47 GPRESSURE: 2862000 -39.5102 147.574 -83.6998 185.167 151.633 64.1432 61.4649 -74.6499 164.507 PRESSAVG: 2862000 -24.6106 -6.24793 16.5844 -6.24798 18.4684 -11.0319 16.5844 -11.0318 18.4933 GPRESSAVG: 2862000 -25.4839 -7.77029 17.3021 -5.42205 18.8779 -13.0619 14.3675 -11.551 18.9805 TIMING: 2862000 CPU: 8304.63, 0.00290984/step Wall: 8304.63, 0.00290984/step, 1.72812 hours remaining, 206.074219 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: 2862000 729.8234 2072.4260 1993.0441 118.4472 -206179.9833 17960.1999 0.0000 0.0000 34787.6450 -148518.3978 303.8092 -183306.0428 -148419.9156 301.3264 62.0909 92.2096 557129.8189 4.1170 4.1249 PRESSURE: 2862200 84.4584 -22.7955 5.8811 -22.7963 293.312 -113.534 5.88005 -113.533 145.307 GPRESSURE: 2862200 95.6828 -11.4259 18.2545 11.8518 290.511 -85.3785 -74.5834 -58.5967 231.917 PRESSAVG: 2862200 0.323196 -10.6081 15.9875 -10.608 4.57442 -6.945 15.9875 -6.94502 -50.8918 GPRESSAVG: 2862200 0.0670693 -10.171 16.7323 -10.8702 5.80731 -4.92651 15.4791 -7.71215 -52.2064 TIMING: 2862200 CPU: 8305.21, 0.0029205/step Wall: 8305.21, 0.0029205/step, 1.73429 hours remaining, 206.074219 MB of memory in use. ENERGY: 2862200 769.7414 2079.2563 1974.6912 121.4155 -206040.1313 18056.9015 0.0000 0.0000 34551.3362 -148486.7892 301.7454 -183038.1254 -148390.5644 301.2509 174.3592 206.0370 558001.1572 -15.3314 -15.4440 PRESSURE: 2862400 50.3676 -39.1178 -51.1221 -39.1176 124.106 -98.836 -51.1204 -98.836 113.005 GPRESSURE: 2862400 52.266 -101.22 -66.708 -11.5885 177.828 -73.4477 -57.8477 -126.915 153.88 PRESSAVG: 2862400 -13.0069 -15.5403 -36.4368 -15.5403 60.1795 7.39768 -36.4368 7.39752 -22.6636 GPRESSAVG: 2862400 -11.959 -13.7937 -36.5194 -16.2222 59.4759 6.21086 -35.2411 9.65511 -22.8082 TIMING: 2862400 CPU: 8305.8, 0.00290747/step Wall: 8305.79, 0.00290747/step, 1.72639 hours remaining, 206.074219 MB of memory in use. ENERGY: 2862400 825.5286 2123.4405 1994.7324 119.2689 -206123.9678 18037.0239 0.0000 0.0000 34642.0487 -148381.9248 302.5376 -183023.9735 -148282.2399 301.7192 95.8262 127.9915 558747.4942 8.1696 8.2362 PRESSURE: 2862600 -157.356 -31.3556 19.5463 -31.3547 -94.2347 -34.0234 19.5451 -34.0242 38.4023 GPRESSURE: 2862600 -77.773 -135.002 -34.6806 -107.411 -65.7519 -14.3235 25.3253 -22.8534 30.0732 PRESSAVG: 2862600 18.1228 56.8256 -18.1142 56.8257 -113.465 -12.1755 -18.1142 -12.1756 53.9219 GPRESSAVG: 2862600 17.3911 57.5469 -17.5437 56.4654 -112.722 -12.365 -21.5444 -12.0781 53.811 TIMING: 2862600 CPU: 8306.37, 0.00289613/step Wall: 8306.37, 0.00289613/step, 1.7195 hours remaining, 206.074219 MB of memory in use. ENERGY: 2862600 770.9742 2115.0580 1979.3770 110.3169 -205891.2829 17837.1321 0.0000 0.0000 34663.6190 -148414.8056 302.7260 -183078.4247 -148322.9993 301.1015 -71.0627 -37.8172 559320.8024 -13.8068 -13.8398 PRESSURE: 2862800 -69.5824 49.8151 101.099 49.814 0.657174 -85.0456 101.099 -85.0461 -91.813 GPRESSURE: 2862800 -8.32367 44.7784 8.13777 44.3786 15.1803 -111.894 122.899 -36.9415 -77.3362 PRESSAVG: 2862800 -61.599 4.09142 2.27247 4.09143 -24.6903 17.4967 2.27249 17.4967 75.8796 GPRESSAVG: 2862800 -61.2276 1.15843 2.42015 4.45744 -24.7239 17.7934 4.84813 15.6102 75.9048 TIMING: 2862800 CPU: 8306.96, 0.00290849/step Wall: 8306.96, 0.00290849/step, 1.72667 hours remaining, 206.074219 MB of memory in use. ENERGY: 2862800 708.2345 2125.2332 1947.2558 116.2934 -205465.9487 17504.2568 0.0000 0.0000 34550.7576 -148513.9173 301.7404 -183064.6750 -148416.3490 301.5123 -53.5794 -23.4932 559153.4155 -3.4699 -3.3489 PRESSURE: 2863000 267.123 -83.2865 -79.669 -83.2874 -19.3048 -85.8923 -79.6704 -85.8928 2.95856 GPRESSURE: 2863000 297.973 -37.7752 -44.0187 -87.3616 -17.7932 -115.125 -143.863 -43.1342 61.4345 PRESSAVG: 2863000 11.3797 7.51272 2.53256 7.51273 -39.3579 -17.3377 2.53249 -17.3377 40.9039 GPRESSAVG: 2863000 11.6984 10.2577 2.1007 7.15185 -39.6123 -15.3309 1.85826 -16.7119 40.4826 TIMING: 2863000 CPU: 8307.54, 0.00293002/step Wall: 8307.54, 0.00293002/step, 1.73929 hours remaining, 206.074219 MB of memory in use. ENERGY: 2863000 740.5131 2112.1258 1996.6441 117.1894 -205888.9635 17845.0059 0.0000 0.0000 34402.0406 -148675.4445 300.4416 -183077.4851 -148578.7428 300.8290 83.5921 113.8713 557164.0466 4.3086 4.1896 PRESSURE: 2863200 320.463 77.0087 114.92 77.0088 -231.364 -77.3973 114.921 -77.3966 168.966 GPRESSURE: 2863200 342.821 -1.57233 167.584 94.0172 -155.681 -112.264 18.3306 -60.5188 169.116 PRESSAVG: 2863200 58.2959 24.5238 -14.124 24.5238 -73.3846 44.3558 -14.124 44.3558 10.6791 GPRESSAVG: 2863200 57.9475 21.8805 -12.3408 24.3589 -72.9618 42.04 -14.8541 44.7255 10.2883 TIMING: 2863200 CPU: 8308.13, 0.00291651/step Wall: 8308.13, 0.00291651/step, 1.73111 hours remaining, 206.074219 MB of memory in use. ENERGY: 2863200 758.4978 2104.9177 1985.8234 104.4568 -206115.4905 17927.3398 0.0000 0.0000 34495.5811 -148738.8739 301.2585 -183234.4550 -148638.3997 301.1938 86.0219 118.7520 557898.3076 -1.4699 -1.5753 PRESSURE: 2863400 -23.1109 21.7287 -148.891 21.7278 90.4254 -92.1032 -148.89 -92.1021 52.6916 GPRESSURE: 2863400 40.5771 -29.031 -107.168 -1.32477 95.5186 -98.0473 -130.194 9.93157 76.2313 PRESSAVG: 2863400 42.0778 -39.252 -11.7618 -39.2521 -97.4914 30.3541 -11.7618 30.3543 105.094 GPRESSAVG: 2863400 43.305 -37.0308 -12.3796 -40.7669 -99.3958 31.8883 -11.3349 29.7635 105.361 TIMING: 2863400 CPU: 8308.71, 0.00290011/step Wall: 8308.71, 0.00290011/step, 1.72122 hours remaining, 206.074219 MB of memory in use. ENERGY: 2863400 769.4396 2164.0496 1983.8980 119.3078 -206581.3114 18114.1360 0.0000 0.0000 34679.9292 -148750.5511 302.8684 -183430.4804 -148646.0328 300.8612 40.0021 70.7757 557324.3220 16.5600 16.4233 PRESSURE: 2863600 -285.013 15.1898 -15.9605 15.189 -3.95491 -1.40753 -15.9623 -1.40851 -84.803 GPRESSURE: 2863600 -184.258 -57.2101 67.3831 104.491 32.3921 -45.3079 12.2066 33.4598 -125.619 PRESSAVG: 2863600 -33.9703 20.3322 19.0017 20.3322 31.1043 22.8877 19.0017 22.8876 -17.8211 GPRESSAVG: 2863600 -34.6887 20.3464 21.8693 19.6176 30.5286 22.5105 20.0149 25.7171 -16.3709 TIMING: 2863600 CPU: 8309.29, 0.002913/step Wall: 8309.29, 0.002913/step, 1.72871 hours remaining, 206.074219 MB of memory in use. ENERGY: 2863600 720.2620 2169.5061 1943.5143 113.3818 -205785.0639 17461.3819 0.0000 0.0000 34492.8141 -148884.2037 301.2343 -183377.0178 -148789.2728 300.6696 -124.5903 -92.4949 558592.8503 -6.8957 -6.8437 PRESSURE: 2863800 -383.496 63.1274 -99.3156 63.1281 -289.324 26.4312 -99.3145 26.4299 -155.324 GPRESSURE: 2863800 -356.371 50.9534 -134.313 153.645 -253.045 54.9711 -68.1671 -60.5678 -131.736 PRESSAVG: 2863800 23.5439 -44.3282 -0.0370137 -44.3283 18.7598 -30.8742 -0.0369734 -30.8741 -36.4269 GPRESSAVG: 2863800 24.6164 -46.146 -3.43123 -42.324 19.8522 -30.5186 -1.15663 -34.4383 -38.7413 TIMING: 2863800 CPU: 8309.87, 0.00289478/step Wall: 8309.87, 0.00289478/step, 1.71773 hours remaining, 206.074219 MB of memory in use. ENERGY: 2863800 744.8827 2128.7653 2000.1695 107.3705 -205630.7467 17403.7510 0.0000 0.0000 34268.4562 -148977.3514 299.2750 -183245.8076 -148885.2816 300.4231 -276.0479 -247.0505 560032.2135 1.9589 1.9091 PRESSURE: 2864000 -86.3667 -34.4284 38.0819 -34.4295 -50.1203 -98.3742 38.083 -98.3753 34.5795 GPRESSURE: 2864000 -88.2851 -141.817 70.9021 -24.4621 -18.63 -87.806 49.9833 -75.4556 90.3194 PRESSAVG: 2864000 22.6027 -3.82789 2.74896 -3.82788 -57.1231 -0.89303 2.74895 -0.892994 40.2088 GPRESSAVG: 2864000 22.8082 -2.9113 2.65209 -4.17626 -57.4936 -0.846156 3.23868 0.102255 40.5221 TIMING: 2864000 CPU: 8310.45, 0.00290397/step Wall: 8310.45, 0.00290397/step, 1.72302 hours remaining, 206.074219 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: 2864000 748.7031 2126.1392 1979.1309 114.1652 -206116.3051 17737.4571 0.0000 0.0000 34500.7013 -148910.0083 301.3032 -183410.7096 -148822.2321 299.9142 -33.9692 -5.5319 558329.8155 1.8961 1.9456 PRESSURE: 2864200 -47.9281 -37.5862 -56.3032 -37.5872 -171.29 20.8007 -56.3029 20.8 -278.696 GPRESSURE: 2864200 36.862 -80.5957 -54.5355 -7.23564 -168.378 30.7058 -59.0499 -77.5614 -269.792 PRESSAVG: 2864200 -2.51007 -3.32737 -7.01456 -3.3273 -3.68208 -34.5377 -7.01457 -34.5379 4.92263 GPRESSAVG: 2864200 -2.64493 -3.06163 -5.46691 -2.47312 -4.38389 -37.4165 -8.45664 -34.1745 5.97841 TIMING: 2864200 CPU: 8311.03, 0.00290842/step Wall: 8311.03, 0.00290842/step, 1.7255 hours remaining, 206.074219 MB of memory in use. ENERGY: 2864200 766.5280 2131.9794 1948.5940 107.0972 -205905.3270 17612.2205 0.0000 0.0000 34271.7952 -149067.1125 299.3041 -183338.9078 -148974.2766 299.4523 -165.9715 -133.7693 558690.4064 -0.4232 -0.3501 LDB: ============= START OF LOAD BALANCING ============== 8314.5 LDB: ============== END OF LOAD BALANCING =============== 8314.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8314.5 LDB: ============= START OF LOAD BALANCING ============== 8314.78 LDB: Largest compute 4848 load 0.028413 is 24.1% of average load 0.117776 LDB: Average compute 0.001722 is 1.5% of average load 0.117776 LDB: TIME 8314.79 LOAD: AVG 0.117776 MAX 0.179479 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 8314.79 LOAD: AVG 0.117776 MAX 0.179479 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: TIME 8314.79 LOAD: AVG 0.117776 MAX 0.179479 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8314.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8314.79 PRESSURE: 2864400 120.429 -159.865 -44.8571 -159.866 -11.4771 55.7473 -44.8568 55.748 -305.125 GPRESSURE: 2864400 168.298 -102.788 -68.1099 -212.629 -35.8383 53.5463 -26.2314 14.4664 -231.713 PRESSAVG: 2864400 12.0546 12.9291 -25.8378 12.929 72.3983 -72.4656 -25.8379 -72.4656 -59.432 GPRESSAVG: 2864400 10.7863 10.8853 -27.4479 11.8038 72.419 -70.6143 -25.3079 -71.309 -58.4184 TIMING: 2864400 CPU: 8311.62, 0.00293754/step Wall: 8311.62, 0.00293754/step, 1.74261 hours remaining, 205.812500 MB of memory in use. ENERGY: 2864400 744.5936 2159.0848 1956.6352 105.0660 -205721.1563 17665.3184 0.0000 0.0000 34037.1400 -149053.3182 297.2548 -183090.4583 -148959.7988 299.2184 -65.3908 -33.0843 558581.5466 8.3403 8.2623 PRESSURE: 2864600 -333.227 -66.2089 104.919 -66.2084 -99.258 47.7304 104.918 47.7273 -202.554 GPRESSURE: 2864600 -338.991 -119.421 106.128 -82.2552 -77.3467 8.81524 96.5886 -21.6199 -133.088 PRESSAVG: 2864600 46.2069 -52.4699 -32.504 -52.4698 23.5062 -18.2658 -32.504 -18.2657 -66.3258 GPRESSAVG: 2864600 47.1409 -50.7131 -31.3937 -52.4165 24.5582 -16.9621 -31.9594 -19.7798 -68.8847 TIMING: 2864600 CPU: 8312.19, 0.00288676/step Wall: 8312.19, 0.00288676/step, 1.71233 hours remaining, 205.812500 MB of memory in use. ENERGY: 2864600 765.2404 2091.4915 1990.2323 128.7079 -206001.7414 17748.1035 0.0000 0.0000 34084.6803 -149193.2855 297.6700 -183277.9657 -149095.6973 299.1711 -211.6798 -183.1420 560020.7763 1.1291 0.9381 PRESSURE: 2864800 -282.739 -6.97306 -119.588 -6.97112 -108.437 8.62384 -119.588 8.62286 -186.348 GPRESSURE: 2864800 -261.654 -10.9477 -215.161 70.2207 -45.0971 11.5894 -57.2821 -43.6799 -164.93 PRESSAVG: 2864800 16.3546 -39.9353 2.15501 -39.9352 -35.2328 7.22808 2.15507 7.22803 8.90677 GPRESSAVG: 2864800 16.2477 -40.8898 -0.0815978 -38.1152 -37.2762 5.41657 1.76017 8.46476 11.0282 TIMING: 2864800 CPU: 8312.78, 0.00290467/step Wall: 8312.78, 0.00290467/step, 1.72279 hours remaining, 205.812500 MB of memory in use. ENERGY: 2864800 744.2691 2102.4344 1949.6227 110.3463 -206153.2639 17695.8357 0.0000 0.0000 34305.2288 -149245.5268 299.5961 -183550.7557 -149146.5861 299.2385 -192.5078 -157.2272 557418.4402 -3.3238 -3.3334 PRESSURE: 2865000 -71.6076 85.6663 -48.9926 85.6664 -202.301 -51.2546 -48.9923 -51.255 12.7137 GPRESSURE: 2865000 -8.74486 44.0376 0.0545346 71.5106 -147.178 5.75144 -78.9524 -119.993 -13.9547 PRESSAVG: 2865000 -9.62588 18.5817 -36.0031 18.5817 -4.73322 13.4123 -36.003 13.4124 25.0286 GPRESSAVG: 2865000 -10.1037 19.4935 -35.5602 17.9 -3.88885 15.4699 -35.9529 12.1833 24.7375 TIMING: 2865000 CPU: 8313.36, 0.00291213/step Wall: 8313.36, 0.00291213/step, 1.72705 hours remaining, 205.812500 MB of memory in use. ENERGY: 2865000 781.3029 2081.7102 1939.4113 124.2382 -206221.4196 17771.0328 0.0000 0.0000 34217.8976 -149305.8265 298.8334 -183523.7242 -149200.7516 299.2894 -87.0648 -56.6259 557100.6989 3.5565 3.5816 PRESSURE: 2865200 194.164 -77.44 -69.7511 -77.4393 85.7356 58.7285 -69.7501 58.7299 -118.914 GPRESSURE: 2865200 241.141 -27.6602 -66.1024 -52.9552 104.341 80.2042 -63.286 4.74308 -96.9206 PRESSAVG: 2865200 28.7504 -9.45405 -6.68027 -9.45409 -0.381319 -6.97266 -6.6803 -6.97259 -40.2515 GPRESSAVG: 2865200 29.4887 -9.4773 -6.82102 -11.7391 -1.60184 -7.2896 -6.37432 -6.77499 -40.4509 TIMING: 2865200 CPU: 8313.94, 0.00290884/step Wall: 8313.94, 0.00290884/step, 1.72494 hours remaining, 205.812500 MB of memory in use. ENERGY: 2865200 737.6874 2114.3653 1962.9740 123.9775 -206446.5433 17940.1709 0.0000 0.0000 34195.0034 -149372.3649 298.6335 -183567.3683 -149273.4144 299.7107 53.6618 82.8538 558336.5030 -3.9608 -4.1880 PRESSURE: 2865400 -121.689 0.0515971 -61.5537 0.0520318 -158.086 50.4386 -61.5529 50.4397 36.7585 GPRESSURE: 2865400 -88.4911 -90.5386 -68.7394 81.945 -117.83 -41.2809 -105.8 76.0632 64.2275 PRESSAVG: 2865400 20.3891 -62.7298 -75.9031 -62.7298 -14.4307 40.1422 -75.9031 40.1422 7.42615 GPRESSAVG: 2865400 19.9796 -62.5385 -74.3274 -61.6202 -14.5301 40.1535 -76.5121 39.0973 7.5007 TIMING: 2865400 CPU: 8314.52, 0.00290541/step Wall: 8314.52, 0.00290541/step, 1.72275 hours remaining, 205.812500 MB of memory in use. ENERGY: 2865400 751.5060 2059.0863 1932.2856 111.2307 -206187.0773 17880.2919 0.0000 0.0000 33964.2066 -149488.4701 296.6179 -183452.6767 -149398.3944 298.6147 -81.0055 -47.3647 558718.4553 4.4615 4.3167 PRESSURE: 2865600 -43.7669 -73.905 -29.4442 -73.9044 -254.059 169.22 -29.4422 169.218 -83.8723 GPRESSURE: 2865600 -8.56845 -148.192 20.7648 -15.8737 -167.201 216.542 -165.921 164.154 -99.8842 PRESSAVG: 2865600 79.6396 -26.1529 -25.3154 -26.1528 -79.0708 -22.8382 -25.3155 -22.8383 10.6806 GPRESSAVG: 2865600 80.9028 -28.4483 -24.4785 -24.5283 -80.0923 -22.3499 -25.4378 -22.3312 10.426 TIMING: 2865600 CPU: 8315.1, 0.00290757/step Wall: 8315.1, 0.00290757/step, 1.72387 hours remaining, 205.812500 MB of memory in use. ENERGY: 2865600 776.0195 2133.6705 1941.5226 99.0249 -206269.6244 17873.9015 0.0000 0.0000 34129.9464 -149315.5390 298.0653 -183445.4854 -149219.5158 297.6170 -127.2326 -91.8846 558740.1717 3.7498 3.7455 PRESSURE: 2865800 157.108 34.3241 -7.67077 34.3248 -112.882 98.9094 -7.6718 98.9084 104.336 GPRESSURE: 2865800 200.8 48.0237 -106.345 57.9383 -87.5435 105.503 9.50471 131.953 131.885 PRESSAVG: 2865800 72.3827 -4.8791 -4.69849 -4.87918 -71.0026 4.92935 -4.69854 4.92925 32.8258 GPRESSAVG: 2865800 70.3345 -6.00816 -6.91551 -3.39614 -70.0378 5.70629 -4.13925 4.9482 33.5184 TIMING: 2865800 CPU: 8315.68, 0.00290224/step Wall: 8315.68, 0.00290224/step, 1.72055 hours remaining, 205.812500 MB of memory in use. ENERGY: 2865800 747.6920 2104.0107 1994.8200 105.7342 -206708.8292 18169.0522 0.0000 0.0000 34231.4779 -149356.0422 298.9520 -183587.5201 -149264.3526 298.8583 49.5210 81.7140 557879.7972 11.4020 11.2717 PRESSURE: 2866000 199.748 -198.62 -42.0169 -198.62 -315.482 56.3502 -42.0162 56.3512 -107.174 GPRESSURE: 2866000 198.983 -46.5083 -61.928 -214.81 -256.876 -16.9559 -72.4227 83.3271 -69.5291 PRESSAVG: 2866000 60.9429 -38.0916 8.97105 -38.0916 -67.0381 -12.3623 8.97101 -12.3622 28.4351 GPRESSAVG: 2866000 62.9859 -34.7222 11.4586 -41.533 -67.2795 -14.7714 8.53302 -10.1137 26.7145 TIMING: 2866000 CPU: 8316.26, 0.00290147/step Wall: 8316.26, 0.00290147/step, 1.71993 hours remaining, 205.812500 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: 2866000 728.2284 2144.3000 1993.1428 113.3229 -206002.9319 17620.9822 0.0000 0.0000 34071.8857 -149331.0698 297.5583 -183402.9555 -149232.0180 298.3569 -74.3026 -42.4738 559206.9161 7.4466 7.4737 PRESSURE: 2866200 83.7409 -118.07 126.65 -118.069 -126.019 -241.324 126.65 -241.324 -57.4201 GPRESSURE: 2866200 100.283 -169.188 134.843 -106.871 -121.598 -238.123 19.9836 -230.552 20.7386 PRESSAVG: 2866200 18.4996 -32.6358 25.4965 -32.6359 -58.683 -23.8807 25.4966 -23.8805 16.2753 GPRESSAVG: 2866200 18.0508 -33.2435 24.0526 -33.5268 -58.5378 -23.6034 26.7526 -24.7779 16.854 TIMING: 2866200 CPU: 8316.84, 0.00291136/step Wall: 8316.84, 0.00291136/step, 1.72563 hours remaining, 205.812500 MB of memory in use. ENERGY: 2866200 721.4840 2054.3039 1969.0060 123.0324 -206178.4204 17865.9700 0.0000 0.0000 33999.7598 -149444.8643 296.9284 -183444.6240 -149345.4912 298.3862 -33.2328 -0.1922 559624.7438 -7.9694 -7.8777 PRESSURE: 2866400 51.8639 23.2362 -30.358 23.2371 -340.826 -101.147 -30.3598 -101.147 69.9888 GPRESSURE: 2866400 81.0218 -34.0508 -99.0144 16.3058 -307.862 -40.7969 59.9778 -147.782 122.424 PRESSAVG: 2866400 3.91199 -69.9358 24.9345 -69.9357 -38.0614 -53.5058 24.9345 -53.5058 58.3941 GPRESSAVG: 2866400 4.61733 -70.5845 25.6478 -69.7351 -38.2103 -52.7436 22.8688 -54.1505 58.3824 TIMING: 2866400 CPU: 8317.43, 0.00291165/step Wall: 8317.43, 0.00291165/step, 1.72564 hours remaining, 205.812500 MB of memory in use. ENERGY: 2866400 755.8962 2138.3796 1948.4886 115.9490 -206368.9931 17795.7057 0.0000 0.0000 34233.2893 -149381.2846 298.9678 -183614.5739 -149285.6254 298.6193 -72.9911 -34.8055 558517.9365 8.0816 8.2631 PRESSURE: 2866600 -52.0621 -13.8351 148.348 -13.8352 -113.283 -62.0183 148.348 -62.0191 -12.834 GPRESSURE: 2866600 15.0222 23.005 36.3847 66.308 -81.0734 -59.9617 174.036 -3.83677 -15.3364 PRESSAVG: 2866600 100.23 70.2815 -3.79782 70.2815 -30.6297 36.3665 -3.79769 36.3666 -22.4378 GPRESSAVG: 2866600 99.5129 71.172 -6.35343 72.2707 -31.1674 36.4107 -1.282 36.8601 -21.3769 TIMING: 2866600 CPU: 8318.01, 0.00293706/step Wall: 8318.01, 0.00293706/step, 1.74053 hours remaining, 205.949219 MB of memory in use. ENERGY: 2866600 776.0504 2132.4632 1990.8719 122.6774 -206247.1326 17817.1502 0.0000 0.0000 34098.2317 -149309.6877 297.7883 -183407.9194 -149221.5139 298.8358 -59.3931 -27.1292 558615.9882 15.7208 15.6562 PRESSURE: 2866800 -39.16 45.9394 77.6449 45.9384 -87.5204 10.6597 77.6449 10.6601 27.165 GPRESSURE: 2866800 3.45902 21.5934 63.9849 107.587 -60.8271 -77.775 27.5026 7.6112 38.7354 PRESSAVG: 2866800 44.5957 21.0008 6.75806 21.0008 -51.4043 34.6609 6.75803 34.6609 -9.37564 GPRESSAVG: 2866800 44.1278 18.0502 9.00133 21.0513 -50.3713 34.0149 5.83163 34.4593 -10.0342 TIMING: 2866800 CPU: 8318.6, 0.00291849/step Wall: 8318.6, 0.00291849/step, 1.72936 hours remaining, 205.949219 MB of memory in use. ENERGY: 2866800 709.3952 2081.9055 1936.2066 108.1823 -205846.3229 17785.7925 0.0000 0.0000 34029.3241 -149195.5166 297.1866 -183224.8407 -149097.2540 298.1670 -33.1718 -6.2109 559066.1934 -5.3947 -5.4259 PRESSURE: 2867000 22.0338 -14.3996 14.1702 -14.3992 67.5976 30.4717 14.1701 30.4736 -4.92152 GPRESSURE: 2867000 66.4326 -59.3925 13.6815 1.12888 87.441 90.1622 25.1164 2.6543 20.3034 PRESSAVG: 2867000 -27.4309 -42.7576 -7.68339 -42.7576 -44.1753 22.8918 -7.68336 22.8918 70.0304 GPRESSAVG: 2867000 -26.7185 -38.368 -9.45377 -45.4389 -44.9411 23.6182 -9.07339 25.0812 69.9806 TIMING: 2867000 CPU: 8319.18, 0.00291172/step Wall: 8319.18, 0.00291172/step, 1.72519 hours remaining, 205.949219 MB of memory in use. ENERGY: 2867000 766.0365 2073.7735 1965.9490 111.0000 -206414.6905 18077.7122 0.0000 0.0000 34384.4084 -149035.8110 300.2876 -183420.2194 -148934.0074 299.1021 28.2366 58.0590 559371.7533 -0.5252 -0.5597 PRESSURE: 2867200 53.7415 -98.1189 33.5254 -98.1188 -35.6079 67.079 33.5241 67.0788 27.1096 GPRESSURE: 2867200 91.7529 -102.207 86.8896 -81.9309 -28.7999 78.1183 75.2354 42.3923 76.9025 PRESSAVG: 2867200 -4.035 -5.90926 2.77665 -5.90941 -54.5289 75.3732 2.77674 75.3731 59.0578 GPRESSAVG: 2867200 -4.28982 -7.6061 5.24045 -4.3552 -53.3988 74.9603 1.62024 72.4934 58.0211 TIMING: 2867200 CPU: 8319.76, 0.00290772/step Wall: 8319.76, 0.00290772/step, 1.72266 hours remaining, 205.949219 MB of memory in use. ENERGY: 2867200 767.4366 2112.3910 1974.2653 109.0519 -205941.3704 17946.6937 0.0000 0.0000 34146.7427 -148884.7892 298.2120 -183031.5319 -148785.2988 299.8254 15.0811 46.6185 560791.0997 0.1646 0.1108 PRESSURE: 2867400 57.1199 143.111 -13.168 143.113 -61.713 13.4579 -13.1702 13.458 -15.6076 GPRESSURE: 2867400 94.6765 92.6426 -4.75743 102.352 -56.4078 8.00567 32.5013 42.8841 23.855 PRESSAVG: 2867400 -24.2211 -31.5982 49.9075 -31.5981 -8.50532 1.19149 49.9074 1.19158 15.6787 GPRESSAVG: 2867400 -25.5831 -30.5816 49.6944 -31.8915 -9.35675 0.251752 51.174 4.30367 17.9404 TIMING: 2867400 CPU: 8320.35, 0.00291887/step Wall: 8320.35, 0.00291887/step, 1.72911 hours remaining, 205.949219 MB of memory in use. ENERGY: 2867400 747.4404 2069.7350 1951.0077 117.8132 -205826.7300 17571.9557 0.0000 0.0000 34472.7839 -148895.9942 301.0594 -183368.7780 -148798.7693 299.9608 -6.7335 20.7079 558411.5117 -5.6826 -5.6665 PRESSURE: 2867600 -333.87 -9.31 63.5712 -9.31064 19.0485 194.99 63.5708 194.989 100.826 GPRESSURE: 2867600 -302.809 -39.3567 78.4626 44.9317 10.9555 232.895 86.4203 191.276 173.821 PRESSAVG: 2867600 12.5175 0.491503 -9.66023 0.491452 -63.6292 15.7179 -9.66024 15.718 75.5791 GPRESSAVG: 2867600 11.6736 -0.498641 -11.8275 -0.73676 -61.9039 16.8217 -9.07298 12.6681 74.8863 TIMING: 2867600 CPU: 8320.93, 0.00291684/step Wall: 8320.93, 0.00291684/step, 1.72774 hours remaining, 205.949219 MB of memory in use. ENERGY: 2867600 763.8429 2073.7597 1969.2483 106.0277 -205653.6030 17689.1822 0.0000 0.0000 34186.4864 -148865.0558 298.5591 -183051.5422 -148767.1159 300.2583 -71.3316 -39.3440 558816.0372 8.1558 8.2187 PRESSURE: 2867800 -384.521 75.9449 -40.8119 75.9455 -135.156 -107.619 -40.8123 -107.62 -259.164 GPRESSURE: 2867800 -310.837 97.4512 0.322403 26.0649 -138.846 -155.604 -38.7495 -87.8333 -227.858 PRESSAVG: 2867800 -104.075 -0.203678 43.3335 -0.203711 10.6299 -35.9521 43.3336 -35.9521 89.3334 GPRESSAVG: 2867800 -102.859 1.05098 43.7366 -1.51099 8.72244 -37.1078 43.4127 -35.5284 89.868 TIMING: 2867800 CPU: 8321.51, 0.00291084/step Wall: 8321.51, 0.00291084/step, 1.72403 hours remaining, 205.949219 MB of memory in use. ENERGY: 2867800 744.4705 2082.0149 1955.5894 115.1182 -205340.8527 17221.8653 0.0000 0.0000 34406.0283 -148815.7661 300.4764 -183221.7944 -148716.9056 299.8412 -259.6136 -225.8469 558010.3674 -1.3706 -1.4227 PRESSURE: 2868000 -54.8834 192.811 -79.2707 192.809 -36.4888 151.362 -79.2715 151.363 97.1457 GPRESSURE: 2868000 20.3337 194.79 -135.503 116.155 -30.5214 98.1493 -22.6557 164.967 116.45 PRESSAVG: 2868000 30.0342 22.3641 -41.8866 22.3642 -75.3851 3.74729 -41.8867 3.74722 78.7026 GPRESSAVG: 2868000 31.2253 20.9649 -42.2651 23.1442 -74.8696 4.54383 -41.1518 3.37079 77.0542 TIMING: 2868000 CPU: 8322.09, 0.00291224/step Wall: 8322.09, 0.00291224/step, 1.72469 hours remaining, 205.949219 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: 2868000 771.6946 2080.5740 1966.0202 116.4676 -205926.3730 17830.2553 0.0000 0.0000 34372.3418 -148789.0195 300.1822 -183161.3614 -148690.1588 300.3167 1.9245 35.4207 557953.6153 11.1172 11.1366 PRESSURE: 2868200 292.024 -81.4804 -140.693 -81.4814 124.21 60.9175 -140.694 60.917 200.307 GPRESSURE: 2868200 355.281 -174.767 -238.023 -57.4333 151.122 135.313 -10.5053 -12.0818 195.701 PRESSAVG: 2868200 -21.2858 42.8602 -2.72489 42.8602 -36.8681 18.3649 -2.72495 18.3648 33.071 GPRESSAVG: 2868200 -21.8559 42.249 -2.70874 43.9847 -37.2102 18.3554 -1.71223 16.979 33.6631 TIMING: 2868200 CPU: 8322.68, 0.00290574/step Wall: 8322.68, 0.00290574/step, 1.72068 hours remaining, 205.949219 MB of memory in use. ENERGY: 2868200 724.5077 2113.8737 1967.7916 121.5544 -206158.8348 18137.5295 0.0000 0.0000 34420.2644 -148673.3136 300.6007 -183093.5780 -148587.2092 300.2556 205.5137 234.0350 557571.9093 -8.3610 -8.4677 LDB: ============= START OF LOAD BALANCING ============== 8326.14 LDB: ============== END OF LOAD BALANCING =============== 8326.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8326.14 LDB: ============= START OF LOAD BALANCING ============== 8326.44 LDB: Largest compute 4820 load 0.028334 is 24.1% of average load 0.117791 LDB: Average compute 0.001724 is 1.5% of average load 0.117791 LDB: TIME 8326.44 LOAD: AVG 0.117791 MAX 0.179426 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 8326.44 LOAD: AVG 0.117791 MAX 0.179426 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 8326.44 LOAD: AVG 0.117791 MAX 0.179426 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 8326.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8326.44 PRESSURE: 2868400 -157.131 -44.6764 -5.18753 -44.6767 109.998 -27.5206 -5.18639 -27.5213 -190.566 GPRESSURE: 2868400 -130.13 -43.5653 17.892 -56.9999 142.147 -26.2674 -11.0525 0.252915 -162.118 PRESSAVG: 2868400 45.498 -15.6764 13.4109 -15.6764 -29.9559 39.2977 13.4109 39.2977 -20.3169 GPRESSAVG: 2868400 44.6381 -15.5385 14.3825 -15.3733 -30.2522 38.0732 12.2294 41.3017 -19.2107 TIMING: 2868400 CPU: 8323.27, 0.00297218/step Wall: 8323.27, 0.00297218/step, 1.75986 hours remaining, 206.964844 MB of memory in use. ENERGY: 2868400 768.9243 2092.0786 1966.1975 109.1764 -205354.1809 17414.3190 0.0000 0.0000 34548.3960 -148455.0890 301.7197 -183003.4850 -148369.1197 300.5763 -79.2329 -50.0337 558243.5057 -1.5916 -1.6083 PRESSURE: 2868600 96.3012 -45.8015 -46.6926 -45.8025 79.343 -11.0218 -46.6934 -11.0231 164.212 GPRESSURE: 2868600 87.0341 -50.0558 33.6818 -46.2709 161.769 -10.3477 -16.7989 -24.4345 187.908 PRESSAVG: 2868600 7.69489 -24.2782 11.3269 -24.2782 -27.2339 41.7531 11.327 41.7531 12.2456 GPRESSAVG: 2868600 9.05179 -24.6233 12.947 -23.075 -25.9883 42.6253 11.4771 40.1206 10.4083 TIMING: 2868600 CPU: 8323.86, 0.00294076/step Wall: 8323.86, 0.00294076/step, 1.74109 hours remaining, 207.167969 MB of memory in use. ENERGY: 2868600 748.1909 2098.3581 1958.1466 108.0751 -205714.9837 17895.3804 0.0000 0.0000 34569.3568 -148337.4758 301.9028 -182906.8326 -148240.9716 301.1994 113.2854 145.5701 557602.8224 -2.4311 -2.1761 PRESSURE: 2868800 206.284 65.7431 73.3265 65.7435 -266.689 -131.159 73.3281 -131.159 -34.2277 GPRESSURE: 2868800 225.999 42.859 119.262 28.2212 -192.1 -161.335 13.2568 -184.789 -24.4902 PRESSAVG: 2868800 66.3677 11.0731 -20.4412 11.0731 -79.1527 20.7953 -20.4412 20.7951 63.5642 GPRESSAVG: 2868800 66.3758 10.91 -21.5635 11.7515 -79.6872 19.193 -20.385 21.5843 64.3253 TIMING: 2868800 CPU: 8324.44, 0.0029103/step Wall: 8324.44, 0.0029103/step, 1.7229 hours remaining, 207.167969 MB of memory in use. ENERGY: 2868800 731.8778 2141.9319 1963.6314 112.6378 -205434.6076 17732.2790 0.0000 0.0000 34458.8544 -148293.3955 300.9377 -182752.2498 -148188.4602 301.3347 -31.5445 3.1365 559499.0264 16.9264 17.0047 PRESSURE: 2869000 61.9832 34.8752 71.201 34.8743 -311.837 -152.791 71.2025 -152.792 143.058 GPRESSURE: 2869000 75.6138 37.624 58.9422 -74.0585 -270.226 -118.55 100.767 -175.497 190.16 PRESSAVG: 2869000 4.35272 23.4928 29.4117 23.4928 -93.7763 -3.87601 29.4117 -3.87592 64.6497 GPRESSAVG: 2869000 3.62568 23.6163 28.1306 22.0547 -93.2692 -3.9057 28.8044 -2.61139 65.4142 TIMING: 2869000 CPU: 8325.02, 0.00290817/step Wall: 8325.02, 0.00290817/step, 1.72148 hours remaining, 207.167969 MB of memory in use. ENERGY: 2869000 760.5837 2128.4744 1932.2903 118.1039 -205455.5307 17755.7444 0.0000 0.0000 34501.8562 -148258.4778 301.3133 -182760.3340 -148155.2342 301.5634 -35.5986 -1.4842 559670.0134 -8.2580 -8.0764 PRESSURE: 2869200 73.6965 148.059 -65.7116 148.059 -240.662 72.6989 -65.7119 72.6992 -250.682 GPRESSURE: 2869200 137.87 124.976 -20.8064 160.927 -220.702 102.057 -101.081 105.317 -235.714 PRESSAVG: 2869200 -25.2306 20.55 -44.7276 20.5501 14.0343 -55.64 -44.7276 -55.6401 6.3643 GPRESSAVG: 2869200 -24.0561 22.2474 -45.6132 20.1128 12.9724 -55.3163 -46.0237 -56.6335 6.20236 TIMING: 2869200 CPU: 8325.6, 0.00289684/step Wall: 8325.6, 0.00289684/step, 1.71461 hours remaining, 207.167969 MB of memory in use. ENERGY: 2869200 777.1064 2127.1502 1955.5813 110.7829 -205097.4542 17534.6657 0.0000 0.0000 34457.0328 -148135.1348 300.9218 -182592.1676 -148037.6300 302.0109 -139.2158 -106.1820 559453.6022 -1.6107 -1.6271 PRESSURE: 2869400 22.7637 106.389 -186.832 106.391 92.4329 -126.841 -186.831 -126.841 -69.5259 GPRESSURE: 2869400 29.42 105.329 -208.428 112.51 94.0263 -90.9272 -159.171 -99.8952 24.2138 PRESSAVG: 2869400 36.2726 29.5953 -33.5466 29.5952 1.98805 -22.633 -33.5465 -22.633 -16.3408 GPRESSAVG: 2869400 35.4014 27.1476 -32.5138 29.7861 3.41162 -23.1246 -32.4905 -21.9062 -17.2194 TIMING: 2869400 CPU: 8326.18, 0.00289231/step Wall: 8326.18, 0.00289231/step, 1.71176 hours remaining, 207.167969 MB of memory in use. ENERGY: 2869400 741.5478 2069.2719 1961.7395 118.8111 -205268.0934 17566.0524 0.0000 0.0000 34619.8451 -148190.8256 302.3437 -182810.6707 -148089.7337 301.5308 15.2236 49.2201 559497.2871 7.3066 7.1979 PRESSURE: 2869600 62.4742 -157.079 0.975374 -157.08 271.05 -60.0293 0.975142 -60.0299 84.6005 GPRESSURE: 2869600 146.893 -268.596 82.805 -15.349 286.165 -28.2903 -60.9777 -131.727 73.2456 PRESSAVG: 2869600 30.8739 28.9149 -46.4842 28.915 13.4482 64.6249 -46.4842 64.6247 -13.2316 GPRESSAVG: 2869600 31.9907 28.7706 -45.5677 29.2856 12.5962 68.0468 -47.0015 63.2279 -13.2382 TIMING: 2869600 CPU: 8326.76, 0.0029277/step Wall: 8326.76, 0.0029277/step, 1.73255 hours remaining, 207.292969 MB of memory in use. ENERGY: 2869600 697.8179 2111.3531 1940.6065 87.5676 -205522.7658 17861.6761 0.0000 0.0000 34466.0963 -148357.6484 301.0010 -182823.7447 -148257.9343 301.3356 139.3749 168.7679 558782.5898 10.3635 10.4496 PRESSURE: 2869800 -23.4261 -54.9379 12.4828 -54.9381 -86.3708 234.645 12.4828 234.645 340.208 GPRESSURE: 2869800 93.9026 -94.0277 29.3553 -77.9845 -91.7739 239.531 -36.4707 150.649 322.734 PRESSAVG: 2869800 30.0804 31.8791 2.86132 31.8791 -45.8396 64.5476 2.86136 64.5478 24.7029 GPRESSAVG: 2869800 28.9665 32.2674 2.17088 31.709 -46.3902 61.7032 4.0127 66.1686 26.1797 TIMING: 2869800 CPU: 8327.35, 0.00290806/step Wall: 8327.35, 0.00290806/step, 1.72076 hours remaining, 207.292969 MB of memory in use. ENERGY: 2869800 767.3013 2117.0438 1977.0426 117.6716 -205571.5293 17789.6385 0.0000 0.0000 34524.0395 -148278.7919 301.5070 -182802.8315 -148186.5061 301.4628 76.8037 108.2877 558703.5789 2.9813 2.9187 PRESSURE: 2870000 -143.124 36.3811 -89.9389 36.3805 276.955 -3.89828 -89.9408 -3.89744 -138.082 GPRESSURE: 2870000 -144.783 56.7363 -3.52827 57.0185 306.154 -6.30159 -151.82 -5.23896 -48.5017 PRESSAVG: 2870000 -42.8044 6.8577 73.4511 6.85765 16.8099 14.8835 73.451 14.8835 42.3978 GPRESSAVG: 2870000 -43.6321 7.12402 73.9995 7.74975 18.5151 15.5361 72.4714 12.9723 41.7392 TIMING: 2870000 CPU: 8327.93, 0.00289773/step Wall: 8327.93, 0.00289773/step, 1.71449 hours remaining, 207.292969 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: 2870000 764.7095 2111.0516 1969.8491 114.9802 -205336.5806 17716.0070 0.0000 0.0000 34530.1904 -148129.7929 301.5607 -182659.9833 -148029.1292 302.1104 -1.4169 37.6231 559085.9396 5.4677 5.5408 PRESSURE: 2870200 -175.892 -214.341 -82.8593 -214.341 -177.998 -130.263 -82.8581 -130.262 -92.3639 GPRESSURE: 2870200 -161.078 -193.611 -118.165 -155.903 -117.503 -98.5063 -67.715 -138.504 -74.1096 PRESSAVG: 2870200 8.8712 -20.7248 -34.5588 -20.7249 4.22883 -12.1694 -34.5589 -12.1694 -35.4777 GPRESSAVG: 2870200 8.0036 -22.8706 -34.0247 -18.8408 3.87706 -15.4653 -34.0578 -10.3577 -34.4931 TIMING: 2870200 CPU: 8328.51, 0.00291056/step Wall: 8328.51, 0.00291056/step, 1.72192 hours remaining, 207.292969 MB of memory in use. ENERGY: 2870200 745.9932 2130.0733 1972.9965 119.0603 -205169.8147 17504.9835 0.0000 0.0000 34485.5977 -148211.1103 301.1713 -182696.7080 -148112.1996 302.0859 -148.7515 -117.5633 559173.7181 -7.4592 -7.5375 PRESSURE: 2870400 116.753 -105.379 -105.17 -105.379 -73.9621 -174.712 -105.171 -174.712 109.482 GPRESSURE: 2870400 123.407 -92.2073 -201.996 -147.738 -41.7642 -171.011 -5.62087 -133.516 157.887 PRESSAVG: 2870400 -52.5628 -75.9107 4.61261 -75.9108 59.598 -39.9833 4.61265 -39.9835 11.8503 GPRESSAVG: 2870400 -50.5008 -73.7716 4.21084 -78.0991 58.9416 -34.7362 5.8723 -39.3264 10.343 TIMING: 2870400 CPU: 8329.09, 0.00292877/step Wall: 8329.09, 0.00292877/step, 1.73253 hours remaining, 207.292969 MB of memory in use. ENERGY: 2870400 760.7297 2150.1187 1955.9792 111.3424 -205615.8638 17837.5235 0.0000 0.0000 34486.8828 -148313.2876 301.1825 -182800.1704 -148211.7132 302.4150 50.7575 79.8434 559376.0188 6.2952 6.2613 PRESSURE: 2870600 -262.838 -81.9062 50.0724 -81.9072 153.158 98.3923 50.0714 98.3931 -130.556 GPRESSURE: 2870600 -193.646 -149.764 60.8666 -24.8034 143.02 105.634 -11.8561 102.131 -95.6148 PRESSAVG: 2870600 28.3822 2.47893 -21.7376 2.47894 -44.6363 18.4456 -21.7376 18.4458 13.756 GPRESSAVG: 2870600 28.0619 1.70474 -22.9229 4.64648 -44.2352 15.8974 -22.329 19.239 13.7059 TIMING: 2870600 CPU: 8329.67, 0.0028974/step Wall: 8329.67, 0.00289741/step, 1.71382 hours remaining, 207.292969 MB of memory in use. ENERGY: 2870600 740.2050 2059.5143 1983.3400 126.3043 -205299.9148 17553.3544 0.0000 0.0000 34341.8895 -148495.3072 299.9163 -182837.1967 -148401.2397 301.0555 -80.0786 -48.7469 559713.7437 -0.8327 -0.8225 PRESSURE: 2870800 -139.5 13.3659 -87.4984 13.3663 -56.1271 -158.188 -87.4979 -158.188 67.2433 GPRESSURE: 2870800 -65.6111 3.57694 -189.417 -9.12677 -24.4572 -83.7902 -41.5957 -205.354 47.0216 PRESSAVG: 2870800 7.34432 23.759 -10.4135 23.7589 -17.3462 -32.1581 -10.4134 -32.1581 2.90267 GPRESSAVG: 2870800 8.04419 23.5888 -11.6506 22.7902 -17.8 -32.4817 -10.0658 -33.2114 2.40401 TIMING: 2870800 CPU: 8330.26, 0.00291858/step Wall: 8330.26, 0.00291858/step, 1.72618 hours remaining, 207.292969 MB of memory in use. ENERGY: 2870800 775.2738 2112.7364 1995.8110 118.4329 -205796.0782 17807.6175 0.0000 0.0000 34549.9197 -148436.2868 301.7330 -182986.2066 -148351.8215 300.8855 -42.7946 -14.3489 559532.3882 -2.3664 -2.4506 PRESSURE: 2871000 -80.8201 -36.6191 155.89 -36.6183 19.3731 -10.4483 155.889 -10.4475 -64.8237 GPRESSURE: 2871000 -52.3945 -37.8378 217.719 -54.459 21.1431 35.8737 88.0722 -68.8814 -8.85737 PRESSAVG: 2871000 -97.5648 24.6166 -10.8134 24.6167 -0.20147 -14.6388 -10.8135 -14.6387 45.0836 GPRESSAVG: 2871000 -97.2153 25.8155 -9.98294 21.5242 -0.905158 -14.6609 -12.3425 -16.4098 45.7054 TIMING: 2871000 CPU: 8330.85, 0.00294909/step Wall: 8330.85, 0.00294909/step, 1.74406 hours remaining, 207.292969 MB of memory in use. ENERGY: 2871000 802.7088 2102.7901 1963.7265 125.7354 -205755.0440 17653.7683 0.0000 0.0000 34497.8089 -148608.5060 301.2779 -183106.3149 -148508.0749 300.4178 -42.0902 -13.3696 559175.0402 -17.5609 -17.4717 PRESSURE: 2871200 -155.56 100.252 -31.0629 100.251 -115.116 -95.3861 -31.0642 -95.3871 -203.541 GPRESSURE: 2871200 -157.511 36.3843 -6.31436 90.143 -61.1743 -89.0474 8.19949 -20.1604 -156.026 PRESSAVG: 2871200 -24.2792 16.7042 20.077 16.7041 57.0115 8.16126 20.077 8.16122 -11.7568 GPRESSAVG: 2871200 -24.33 17.6886 20.3203 19.5304 57.6784 9.61568 21.9824 9.78184 -12.2908 TIMING: 2871200 CPU: 8331.44, 0.0029446/step Wall: 8331.44, 0.0029446/step, 1.74124 hours remaining, 207.433594 MB of memory in use. ENERGY: 2871200 764.5910 2093.2031 1970.1471 114.0072 -205357.6248 17557.9001 0.0000 0.0000 34304.2721 -148553.5042 299.5877 -182857.7763 -148455.1393 300.9907 -158.0723 -124.9036 559604.5182 6.9918 7.0192 PRESSURE: 2871400 55.3542 62.2599 61.5829 62.2598 -33.0583 -148.782 61.5838 -148.781 31.7612 GPRESSURE: 2871400 81.0436 108.294 190.848 153.898 -18.1557 -119.001 -36.1327 -212.801 78.6427 PRESSAVG: 2871400 -19.9148 6.95352 57.091 6.95351 34.1028 0.583052 57.091 0.583008 -36.2159 GPRESSAVG: 2871400 -20.2781 6.42141 58.0295 7.2246 34.5278 0.879378 55.7049 -0.169013 -36.0697 TIMING: 2871400 CPU: 8332.02, 0.00292223/step Wall: 8332.02, 0.00292223/step, 1.72785 hours remaining, 207.433594 MB of memory in use. ENERGY: 2871400 739.7786 2064.0253 2002.1055 109.5760 -205930.2456 17774.7077 0.0000 0.0000 34382.7394 -148857.3132 300.2730 -183240.0526 -148749.8635 300.6317 18.0190 47.1769 558357.3724 -7.3426 -7.2733 PRESSURE: 2871600 -340.849 -153.35 -67.8091 -153.35 236.057 -157.735 -67.8084 -157.736 21.58 GPRESSURE: 2871600 -230.402 -147.423 -105.392 -88.8394 228.129 -174.29 -62.035 -173.472 6.68194 PRESSAVG: 2871600 -72.9997 2.26042 -6.01065 2.26044 6.51337 13.8656 -6.01058 13.8656 32.6565 GPRESSAVG: 2871600 -73.4545 2.71023 -5.62098 0.563163 7.26488 12.4385 -5.36378 13.9164 31.6341 TIMING: 2871600 CPU: 8332.61, 0.00295064/step Wall: 8332.61, 0.00295064/step, 1.74448 hours remaining, 207.433594 MB of memory in use. ENERGY: 2871600 747.7960 2065.7422 1984.0138 116.4451 -205785.0429 17640.3241 0.0000 0.0000 34449.7067 -148781.0150 300.8579 -183230.7216 -148680.8772 300.1598 -27.7374 1.4697 556970.3457 -11.2766 -11.5185 PRESSURE: 2871800 -367.819 -82.4219 96.3223 -82.4225 -361.931 42.5634 96.3233 42.5643 79.763 GPRESSURE: 2871800 -303.268 -27.141 31.921 -81.4891 -377.818 -4.93448 60.129 55.6083 129.395 PRESSAVG: 2871800 -54.6693 -7.16827 -57.2737 -7.16823 60.0501 -41.3584 -57.2737 -41.3584 -6.28993 GPRESSAVG: 2871800 -54.1137 -7.99825 -59.0486 -5.75106 60.0836 -42.132 -56.5086 -39.6318 -6.27429 TIMING: 2871800 CPU: 8333.2, 0.00294705/step Wall: 8333.2, 0.00294705/step, 1.7422 hours remaining, 207.433594 MB of memory in use. ENERGY: 2871800 762.8147 2121.3885 1993.1075 111.2011 -205237.3437 17293.2212 0.0000 0.0000 34247.0143 -148708.5965 299.0877 -182955.6108 -148619.1673 300.1533 -216.6624 -183.8970 557161.5354 -0.3030 -0.1015 PRESSURE: 2872000 -222.924 -2.93066 134.208 -2.93125 -79.1147 115.279 134.208 115.278 -49.8135 GPRESSURE: 2872000 -224.917 -8.52899 190.203 20.0342 -51.7353 144.59 153.522 103.298 10.874 PRESSAVG: 2872000 -1.50716 -31.4013 -35.5029 -31.4013 -44.774 5.30512 -35.5028 5.30506 17.3562 GPRESSAVG: 2872000 -2.16337 -30.6158 -33.9341 -32.164 -43.9168 4.71325 -36.1246 5.56013 17.3467 TIMING: 2872000 CPU: 8333.79, 0.00293125/step Wall: 8333.79, 0.00293125/step, 1.73269 hours remaining, 207.433594 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: 2872000 764.3947 2158.4601 1979.8324 115.4490 -205494.3442 17498.7647 0.0000 0.0000 34235.2658 -148742.1775 298.9851 -182977.4433 -148644.5208 300.2977 -117.2841 -88.5926 558320.0589 -9.6417 -9.5778 PRESSURE: 2872200 265.639 76.0754 -40.0408 76.0757 239.841 -34.7519 -40.0399 -34.7521 103.01 GPRESSURE: 2872200 297.072 -20.1745 -12.5642 54.4791 273.554 -100.345 -122.5 -2.02204 135.686 PRESSAVG: 2872200 -56.5902 23.5663 2.03751 23.5663 -35.0363 48.5359 2.03745 48.536 80.7037 GPRESSAVG: 2872200 -56.5457 24.4232 1.53634 23.7453 -35.7887 50.0287 2.76237 46.7066 81.2373 TIMING: 2872200 CPU: 8334.37, 0.00293473/step Wall: 8334.37, 0.00293473/step, 1.73459 hours remaining, 207.433594 MB of memory in use. ENERGY: 2872200 743.8168 2114.1468 1967.5916 116.6265 -205899.5993 17853.4026 0.0000 0.0000 34257.4135 -148846.6014 299.1785 -183104.0150 -148755.2946 300.5702 202.8298 235.4374 555980.4740 -3.6409 -3.6991 LDB: ============= START OF LOAD BALANCING ============== 8337.84 LDB: ============== END OF LOAD BALANCING =============== 8337.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8337.84 LDB: ============= START OF LOAD BALANCING ============== 8338.13 LDB: Largest compute 4820 load 0.030429 is 25.8% of average load 0.117822 LDB: Average compute 0.001733 is 1.5% of average load 0.117822 LDB: TIME 8338.14 LOAD: AVG 0.117822 MAX 0.180176 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 8338.14 LOAD: AVG 0.117822 MAX 0.180176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: TIME 8338.14 LOAD: AVG 0.117822 MAX 0.180176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.621 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8338.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8338.14 PRESSURE: 2872400 -22.3849 40.5787 -127.833 40.5793 -210.542 113.22 -127.833 113.22 -186.448 GPRESSURE: 2872400 8.39249 159.176 -72.9306 -57.4936 -153.294 59.9964 -101.173 192.884 -180.824 PRESSAVG: 2872400 -6.5286 33.2334 44.3218 33.2334 -70.5188 2.08697 44.3218 2.08712 49.3806 GPRESSAVG: 2872400 -6.10054 32.397 43.4319 33.4432 -70.8074 2.61591 44.2897 4.82178 48.8405 TIMING: 2872400 CPU: 8334.97, 0.00297349/step Wall: 8334.97, 0.00297349/step, 1.75733 hours remaining, 206.390625 MB of memory in use. ENERGY: 2872400 725.8453 2063.0873 2001.4132 121.5394 -205836.9922 17473.7328 0.0000 0.0000 34487.1831 -148964.1911 301.1851 -183451.3743 -148859.0213 299.8811 -139.7917 -108.5751 556072.1987 -9.2223 -9.3558 PRESSURE: 2872600 247.081 43.327 35.2368 43.3262 15.6755 -14.1363 35.2363 -14.1362 25.0923 GPRESSURE: 2872600 255.205 -0.7398 68.4643 70.2357 -2.19625 -82.3477 4.98499 54.2316 124.397 PRESSAVG: 2872600 34.2738 85.7843 14.9706 85.7842 -69.4072 45.3978 14.9706 45.3977 31.2935 GPRESSAVG: 2872600 34.7113 84.4739 16.1273 85.8614 -71.043 47.6741 14.06 41.0706 32.1984 TIMING: 2872600 CPU: 8335.55, 0.00293471/step Wall: 8335.55, 0.00293471/step, 1.73425 hours remaining, 206.593750 MB of memory in use. ENERGY: 2872600 704.1897 2144.3249 1966.1209 123.0047 -205920.6149 17807.2621 0.0000 0.0000 34199.4099 -148976.3027 298.6720 -183175.7126 -148875.2538 300.6917 95.9498 125.8018 556115.3575 -1.2799 -1.3778 PRESSURE: 2872800 -94.6745 148.968 122.245 148.968 -110.811 -13.1101 122.244 -13.1097 44.2177 GPRESSURE: 2872800 -49.0151 116.533 157.642 170.115 -63.8255 -9.56853 86.6835 -6.35524 38.0197 PRESSAVG: 2872800 -29.1885 -7.53211 -51.1798 -7.53209 7.43669 -22.1902 -51.1797 -22.1901 30.4966 GPRESSAVG: 2872800 -29.2867 -8.19494 -50.1964 -7.34656 8.62565 -26.2931 -51.5357 -20.0103 29.624 TIMING: 2872800 CPU: 8336.14, 0.00294332/step Wall: 8336.14, 0.00294332/step, 1.73918 hours remaining, 206.593750 MB of memory in use. ENERGY: 2872800 734.7774 2076.1367 1975.2615 129.6083 -205936.1829 17702.0919 0.0000 0.0000 34333.9042 -148984.4029 299.8465 -183318.3071 -148894.8107 299.4684 -53.7558 -24.9403 558312.3530 2.9149 2.9877 PRESSURE: 2873000 -74.0549 -18.0034 -165.348 -18.0033 -85.3687 -14.9169 -165.348 -14.9186 -88.0301 GPRESSURE: 2873000 -109.812 -59.7691 -151.284 -75.4586 -29.535 -121.005 -193.47 5.77732 -13.8417 PRESSAVG: 2873000 1.13714 6.86919 12.3992 6.86915 40.5216 -2.02728 12.3992 -2.02738 -59.5957 GPRESSAVG: 2873000 -0.0872462 7.19074 11.9267 5.82039 41.8155 0.384152 14.0851 -1.04106 -60.0239 TIMING: 2873000 CPU: 8336.73, 0.00295254/step Wall: 8336.73, 0.00295254/step, 1.74446 hours remaining, 206.593750 MB of memory in use. ENERGY: 2873000 757.8974 2044.6158 1976.9289 115.6722 -206495.2749 17912.2641 0.0000 0.0000 34455.6841 -149232.2123 300.9101 -183687.8964 -149138.6173 299.1590 -82.4846 -51.0628 559426.7094 -5.9790 -6.0986 PRESSURE: 2873200 -17.2734 144.091 -11.3545 144.091 -217.525 -61.4811 -11.3544 -61.4781 -95.1793 GPRESSURE: 2873200 1.37853 125.612 5.22551 180.029 -106.268 -74.2471 -59.7672 -20.1288 -119.731 PRESSAVG: 2873200 -33.6956 35.2235 44.8302 35.2234 6.3011 -25.132 44.8303 -25.1321 -1.15649 GPRESSAVG: 2873200 -33.3882 35.3424 43.7236 35.3384 4.67194 -23.7368 46.2958 -28.4498 -0.0467326 TIMING: 2873200 CPU: 8337.32, 0.00293776/step Wall: 8337.32, 0.00293776/step, 1.73557 hours remaining, 206.593750 MB of memory in use. ENERGY: 2873200 805.8916 2066.9208 1971.7729 106.6470 -206272.0609 17740.6912 0.0000 0.0000 34334.6923 -149245.4452 299.8534 -183580.1374 -149146.6982 299.0882 -109.9925 -74.8734 558562.7542 -9.5170 -9.5877 PRESSURE: 2873400 -112.217 22.0562 24.8724 22.0553 135.358 -35.9533 24.8718 -35.9519 24.077 GPRESSURE: 2873400 -97.5087 -14.6427 22.1753 95.7297 125.33 -62.0337 102.677 28.1541 104.099 PRESSAVG: 2873400 8.69161 13.8174 44.9045 13.8175 30.6118 58.2956 44.9045 58.2956 -24.9012 GPRESSAVG: 2873400 9.35761 14.4248 46.0464 13.8828 31.4561 57.9232 43.248 61.4435 -25.9116 TIMING: 2873400 CPU: 8337.91, 0.00295337/step Wall: 8337.91, 0.00295337/step, 1.74462 hours remaining, 206.593750 MB of memory in use. ENERGY: 2873400 756.7964 2088.6117 1987.3792 115.0883 -206384.5109 17992.1262 0.0000 0.0000 34117.4734 -149327.0356 297.9564 -183444.5090 -149230.2603 298.5814 15.7393 43.9735 558688.8611 4.8007 4.9674 PRESSURE: 2873600 152.05 57.1267 -5.83009 57.1267 99.4387 95.7159 -5.83056 95.7156 52.0677 GPRESSURE: 2873600 256.446 67.2081 72.2405 63.7822 98.3708 117.534 -53.3405 112.35 45.3158 PRESSAVG: 2873600 44.2189 4.493 30.7064 4.49298 2.71941 37.3198 30.7064 37.3198 -21.6871 GPRESSAVG: 2873600 45.2387 5.79362 30.7488 4.39529 1.43114 35.3727 30.1588 35.8021 -21.3426 TIMING: 2873600 CPU: 8338.5, 0.00292929/step Wall: 8338.5, 0.00292929/step, 1.73023 hours remaining, 206.593750 MB of memory in use. ENERGY: 2873600 747.9792 2087.0620 1946.2201 103.4021 -206642.2543 17995.2197 0.0000 0.0000 34335.9019 -149426.4693 299.8640 -183762.3712 -149336.5976 298.4238 101.1855 133.3776 557362.3586 8.4171 8.4424 PRESSURE: 2873800 -350.092 2.64977 -10.8604 2.64958 -113.686 -54.2088 -10.8595 -54.21 -260.05 GPRESSURE: 2873800 -271.436 48.2781 26.0618 -29.825 -80.1686 -20.819 2.84936 -108.306 -269.535 PRESSAVG: 2873800 7.87825 -8.17425 2.06051 -8.17425 47.6702 59.5176 2.06041 59.5177 -34.0777 GPRESSAVG: 2873800 7.96766 -9.44371 1.73315 -7.33277 48.1399 59.7605 2.67603 60.8802 -34.674 TIMING: 2873800 CPU: 8339.08, 0.00293565/step Wall: 8339.08, 0.00293565/step, 1.73383 hours remaining, 206.593750 MB of memory in use. ENERGY: 2873800 778.2962 2099.1569 1972.8885 107.8170 -206305.8254 17425.7213 0.0000 0.0000 34323.8788 -149598.0666 299.7590 -183921.9455 -149496.5472 298.8363 -241.2761 -207.0463 557741.6422 7.1569 7.1445 PRESSURE: 2874000 35.2781 10.4576 105.965 10.4577 132.699 -22.3263 105.964 -22.3263 -12.4022 GPRESSURE: 2874000 35.2068 15.8324 90.8638 89.832 172.599 28.6925 155.23 -31.9732 33.298 PRESSAVG: 2874000 15.8707 26.6058 -13.35 26.6058 -3.09673 -22.6522 -13.35 -22.6522 -18.1855 GPRESSAVG: 2874000 15.7626 24.5721 -14.1408 27.2197 -4.18052 -21.7222 -11.5895 -23.7369 -16.6268 TIMING: 2874000 CPU: 8339.67, 0.00292674/step Wall: 8339.67, 0.00292674/step, 1.7284 hours remaining, 206.593750 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: 2874000 745.9730 2065.7063 1956.0798 107.7144 -206279.6079 17903.5808 0.0000 0.0000 34104.6533 -149395.9004 297.8444 -183500.5537 -149297.9480 298.3820 51.8582 80.3681 556583.4118 -1.8039 -1.6816 PRESSURE: 2874200 175.805 -20.4895 -120.351 -20.4897 35.7955 -6.2835 -120.35 -6.28319 70.6683 GPRESSURE: 2874200 188.974 47.538 -172.506 -2.19343 49.5691 -116.459 -49.5254 17.2208 129.863 PRESSAVG: 2874200 6.48866 -33.3568 15.0209 -33.3568 -11.8639 11.6477 15.0209 11.6477 36.0546 GPRESSAVG: 2874200 6.14245 -31.5209 14.5956 -34.0574 -10.6112 10.7293 15.0432 8.55991 35.2592 TIMING: 2874200 CPU: 8340.25, 0.00292025/step Wall: 8340.25, 0.00292025/step, 1.72441 hours remaining, 206.593750 MB of memory in use. ENERGY: 2874200 747.1654 2140.4360 1992.2489 132.5747 -206599.3943 18006.0094 0.0000 0.0000 34412.0073 -149168.9526 300.5286 -183580.9599 -149073.7649 298.6739 94.0895 122.8023 556420.4367 10.2264 10.2635 PRESSURE: 2874400 146.467 -129.123 -28.5232 -129.123 13.5125 -140.937 -28.5247 -140.938 -280.964 GPRESSURE: 2874400 187.1 -97.5234 -2.33053 -90.402 -4.7404 -80.149 55.105 -128.715 -186.563 PRESSAVG: 2874400 101.516 -52.7651 19.5298 -52.7651 -4.80373 -14.8336 19.5297 -14.8334 -93.2231 GPRESSAVG: 2874400 100.782 -53.6721 18.6753 -52.602 -5.71321 -14.5802 21.0757 -13.1873 -91.2419 TIMING: 2874400 CPU: 8340.84, 0.00291352/step Wall: 8340.84, 0.00291352/step, 1.72027 hours remaining, 206.593750 MB of memory in use. ENERGY: 2874400 732.5212 2116.7254 1954.0425 104.0424 -206139.7018 17799.4254 0.0000 0.0000 34258.1790 -149174.7661 299.1852 -183432.9450 -149080.8371 299.1672 -40.3283 -1.4013 556425.6645 1.1630 1.2757 PRESSURE: 2874600 -2.44392 -16.3541 -64.2083 -16.3546 5.60243 -106.219 -64.2086 -106.219 -11.8484 GPRESSURE: 2874600 94.9934 0.961314 -2.15803 -126.66 -44.0485 -96.7445 -138.042 -123.841 27.879 PRESSAVG: 2874600 21.2382 -44.5027 -0.38871 -44.5027 50.1079 -37.407 -0.388609 -37.4071 -90.6943 GPRESSAVG: 2874600 21.3554 -44.9709 0.409263 -45.1028 50.4807 -35.8925 -2.24755 -37.2032 -91.4832 TIMING: 2874600 CPU: 8341.42, 0.00290421/step Wall: 8341.42, 0.00290421/step, 1.71461 hours remaining, 206.593750 MB of memory in use. ENERGY: 2874600 772.5251 2099.9559 2003.1503 117.1101 -206152.3268 17822.4298 0.0000 0.0000 34195.8621 -149141.2936 298.6410 -183337.1557 -149047.3019 299.1553 -2.8966 26.2746 556164.1371 -6.4494 -6.5490 PRESSURE: 2874800 -185.588 51.7757 137.76 51.7748 -198.336 50.3008 137.761 50.2985 -158.309 GPRESSURE: 2874800 -111.479 -2.39574 118.683 11.4661 -217.727 19.7455 129.908 76.9837 -118.95 PRESSAVG: 2874800 54.3496 -15.4579 14.5476 -15.4579 -9.88699 16.7225 14.5477 16.7225 -62.9765 GPRESSAVG: 2874800 54.1693 -14.7768 16.1454 -17.1644 -8.65228 16.0679 13.7797 17.8302 -63.2554 TIMING: 2874800 CPU: 8342, 0.00290112/step Wall: 8342, 0.00290112/step, 1.71263 hours remaining, 206.593750 MB of memory in use. ENERGY: 2874800 723.2194 2148.7678 1981.5735 106.3161 -205753.7124 17465.2644 0.0000 0.0000 34301.8936 -149026.6777 299.5670 -183328.5712 -148929.6294 299.1855 -180.7440 -149.3851 558521.7338 -6.1713 -5.9128 PRESSURE: 2875000 123.781 87.901 -60.9204 87.9021 -67.4737 -88.234 -60.9195 -88.234 36.9061 GPRESSURE: 2875000 130.444 69.8284 -8.18999 117.008 -13.6252 -101.066 -123.842 -130.012 73.4858 PRESSAVG: 2875000 -10.1051 32.6035 -9.59027 32.6034 30.1846 11.5247 -9.59025 11.5248 -24.4221 GPRESSAVG: 2875000 -10.5757 30.896 -9.39672 35.7555 29.7216 12.7254 -10.8172 9.60828 -23.821 TIMING: 2875000 CPU: 8342.58, 0.00290745/step Wall: 8342.58, 0.00290745/step, 1.71621 hours remaining, 206.593750 MB of memory in use. ENERGY: 2875000 794.1271 2089.4520 1972.0575 105.3655 -206185.3186 17975.7404 0.0000 0.0000 34101.1713 -149147.4047 297.8140 -183248.5760 -149059.6584 299.5582 31.0712 63.4349 556561.1498 -1.4476 -1.5584 PRESSURE: 2875200 -33.4249 17.0986 -0.958219 17.0985 94.7669 13.6441 -0.958694 13.6419 36.4639 GPRESSURE: 2875200 -14.3852 -18.2659 -30.7508 28.1152 105.026 83.1137 71.3711 -52.7351 108.158 PRESSAVG: 2875200 32.0729 23.0797 -14.7628 23.0797 -31.8466 11.9679 -14.7628 11.968 -4.59084 GPRESSAVG: 2875200 33.9801 23.9538 -16.2028 23.4826 -32.6001 10.2854 -13.6851 13.7704 -5.94974 TIMING: 2875200 CPU: 8343.16, 0.00289065/step Wall: 8343.16, 0.00289065/step, 1.70613 hours remaining, 206.593750 MB of memory in use. ENERGY: 2875200 732.9956 2079.2415 1992.7656 117.8438 -206253.5776 17842.3575 0.0000 0.0000 34404.4530 -149083.9205 300.4626 -183488.3736 -148983.1349 299.4312 32.6020 66.2662 556653.1585 -1.4549 -1.5233 PRESSURE: 2875400 270.227 -21.43 -8.1139 -21.4288 -20.3542 -28.4495 -8.11555 -28.451 264.551 GPRESSURE: 2875400 252.078 -31.5146 -95.1571 8.32261 21.6421 -33.1415 -61.749 0.887114 325.359 PRESSAVG: 2875400 -35.6659 -2.57612 53.856 -2.57613 -27.6233 38.4549 53.8559 38.455 54.0892 GPRESSAVG: 2875400 -36.2282 -2.65661 54.6173 -2.62628 -27.3485 40.1124 52.7975 38.6625 54.19 TIMING: 2875400 CPU: 8343.74, 0.00291254/step Wall: 8343.74, 0.00291254/step, 1.71889 hours remaining, 206.593750 MB of memory in use. ENERGY: 2875400 774.1353 2136.6882 1991.1287 123.0060 -206758.4445 18102.1688 0.0000 0.0000 34492.1188 -149139.1987 301.2283 -183631.3175 -149039.7517 299.4316 171.4745 199.6930 555938.6237 -3.0667 -3.1289 PRESSURE: 2875600 -281.541 -71.3452 -157.816 -71.345 -348.879 102.421 -157.817 102.423 14.0939 GPRESSURE: 2875600 -246.953 -87.5313 -146.735 -34.7564 -370.769 95.0225 -123.83 225.199 115.9 PRESSAVG: 2875600 -28.4189 -23.6798 14.2878 -23.6798 -1.78314 65.2119 14.2879 65.2118 5.2696 GPRESSAVG: 2875600 -27.991 -23.2212 14.5465 -24.8499 -2.39289 64.7376 13.2539 64.7622 5.9125 TIMING: 2875600 CPU: 8344.32, 0.00291186/step Wall: 8344.32, 0.00291186/step, 1.71832 hours remaining, 206.593750 MB of memory in use. ENERGY: 2875600 757.6608 2125.7407 1972.2484 110.9159 -205959.7699 17641.5416 0.0000 0.0000 34064.3633 -149287.2994 297.4926 -183351.6626 -149192.6570 299.1492 -205.4419 -167.2742 557678.8549 -8.3108 -8.1571 PRESSURE: 2875800 32.3781 76.1604 -85.5211 76.1598 -135.73 -13.3368 -85.5204 -13.3373 -271.729 GPRESSURE: 2875800 81.578 7.25429 -67.3618 176.169 -136.215 81.3474 -95.492 29.4113 -222.032 PRESSAVG: 2875800 7.7479 11.1525 11.5439 11.1525 -64.4421 0.603244 11.5438 0.60321 60.2632 GPRESSAVG: 2875800 7.42235 11.6993 11.7905 9.74799 -63.9527 0.16907 12.0462 0.0564794 60.0473 TIMING: 2875800 CPU: 8344.91, 0.00292866/step Wall: 8344.91, 0.00292866/step, 1.72807 hours remaining, 206.593750 MB of memory in use. ENERGY: 2875800 733.2306 2089.0664 1951.5465 118.5510 -206379.9686 17783.9037 0.0000 0.0000 34430.2756 -149273.3947 300.6882 -183703.6703 -149177.3807 299.1060 -125.0268 -92.2230 558346.8572 1.1896 1.1723 PRESSURE: 2876000 -74.3115 78.7787 57.7718 78.7793 -220.012 -104.423 57.7731 -104.422 -137.217 GPRESSURE: 2876000 -66.1912 99.1978 49.2375 12.2948 -191.889 -97.141 144.476 -123.175 -82.5412 PRESSAVG: 2876000 19.1711 8.6015 53.6289 8.60152 -36.9901 -6.50297 53.6289 -6.50285 26.7628 GPRESSAVG: 2876000 19.2643 8.50608 52.0853 9.48869 -36.7213 -6.19369 54.1205 -5.11419 26.4998 TIMING: 2876000 CPU: 8345.49, 0.00291628/step Wall: 8345.49, 0.00291628/step, 1.7206 hours remaining, 206.593750 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: 2876000 749.4602 2133.7239 1988.1101 113.0663 -206106.5588 17608.3519 0.0000 0.0000 34228.3438 -149285.5025 298.9246 -183513.8463 -149189.8483 299.0343 -143.8467 -113.5404 557591.2380 2.9813 3.0143 PRESSURE: 2876200 -257.445 265.69 19.3965 265.689 -287.188 -161.477 19.3954 -161.475 15.6175 GPRESSURE: 2876200 -216.604 177.588 32.4575 209.561 -239.995 -171.478 -23.2186 -160.28 16.7279 PRESSAVG: 2876200 -15.1462 -16.056 -36.9562 -16.056 37.8198 -94.0462 -36.9562 -94.0463 -28.455 GPRESSAVG: 2876200 -14.724 -18.6956 -36.5675 -15.5472 36.6856 -95.2578 -35.1179 -94.925 -27.9765 TIMING: 2876200 CPU: 8346.07, 0.00291571/step Wall: 8346.07, 0.00291571/step, 1.72011 hours remaining, 206.593750 MB of memory in use. ENERGY: 2876200 756.9760 2074.1562 1964.6974 110.3724 -206144.8113 17700.5045 0.0000 0.0000 34300.9289 -149237.1760 299.5585 -183538.1048 -149136.5815 299.2134 -176.3385 -146.6236 559239.7957 -1.9271 -2.0050 LDB: ============= START OF LOAD BALANCING ============== 8349.54 LDB: ============== END OF LOAD BALANCING =============== 8349.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8349.54 LDB: ============= START OF LOAD BALANCING ============== 8349.84 LDB: Largest compute 4848 load 0.027839 is 23.6% of average load 0.117820 LDB: Average compute 0.001723 is 1.5% of average load 0.117820 LDB: TIME 8349.84 LOAD: AVG 0.11782 MAX 0.179932 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 8349.84 LOAD: AVG 0.11782 MAX 0.179932 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 8349.84 LOAD: AVG 0.11782 MAX 0.179932 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: ============== END OF LOAD BALANCING =============== 8349.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8349.85 PRESSURE: 2876400 -81.0618 -87.3705 -27.1934 -87.37 -273.753 24.9975 -27.1935 24.9984 -222.939 GPRESSURE: 2876400 -99.4138 -148.082 63.2233 2.48501 -206.27 -29.2424 -58.7285 25.4453 -166.891 PRESSAVG: 2876400 4.5173 22.723 25.0791 22.7229 6.11923 -42.4839 25.079 -42.484 -11.6513 GPRESSAVG: 2876400 3.74875 23.4017 26.874 23.4846 6.96872 -42.1632 22.8582 -41.2342 -11.9517 TIMING: 2876400 CPU: 8346.67, 0.00297589/step Wall: 8346.67, 0.00297589/step, 1.75545 hours remaining, 208.828125 MB of memory in use. ENERGY: 2876400 713.0736 2138.3919 1987.6330 128.7752 -206087.3980 17511.7521 0.0000 0.0000 34525.9237 -149081.8485 301.5235 -183607.7722 -148992.3684 299.4107 -192.5848 -157.5248 558715.8370 -0.3382 -0.4114 PRESSURE: 2876600 -62.6993 -138.35 -10.7436 -138.352 62.1674 -88.3414 -10.7445 -88.339 86.5583 GPRESSURE: 2876600 -21.5847 -53.0087 4.31294 -214.506 76.1065 -11.9131 21.0889 -127.305 117.02 PRESSAVG: 2876600 46.5016 -1.32499 0.659972 -1.32503 19.5327 38.7033 0.659939 38.7034 -71.9025 GPRESSAVG: 2876600 45.9358 -0.0252572 -0.163538 -0.651723 19.7509 37.7449 -0.102334 39.4889 -71.9826 TIMING: 2876600 CPU: 8347.26, 0.0029344/step Wall: 8347.26, 0.0029344/step, 1.73081 hours remaining, 209.031250 MB of memory in use. ENERGY: 2876600 744.2950 2140.5492 1972.3586 119.8403 -206222.2977 18013.7340 0.0000 0.0000 34059.8876 -149171.6329 297.4535 -183231.5206 -149076.1567 299.8688 28.6755 57.1806 558176.9930 -1.9560 -2.0986 PRESSURE: 2876800 49.1291 6.48443 -11.3203 6.48364 161.268 23.632 -11.3195 23.632 -189.751 GPRESSURE: 2876800 29.1759 6.51368 -5.29068 138.979 203.357 -22.4556 -7.17815 59.7402 -113.731 PRESSAVG: 2876800 -27.2142 6.68577 -21.3161 6.68571 -5.57397 -20.1869 -21.3161 -20.1868 33.1274 GPRESSAVG: 2876800 -27.726 6.60137 -21.0766 5.09307 -4.83121 -19.8048 -19.0162 -20.6627 33.3172 TIMING: 2876800 CPU: 8347.84, 0.00293109/step Wall: 8347.84, 0.00293109/step, 1.72869 hours remaining, 209.031250 MB of memory in use. ENERGY: 2876800 742.2244 2155.0976 1944.6520 118.0723 -206423.1921 18009.2869 0.0000 0.0000 34303.0678 -149150.7912 299.5772 -183453.8589 -149058.7715 299.9168 6.8820 39.6006 557563.3486 0.1131 0.2533 PRESSURE: 2877000 150.429 6.36639 -104.722 6.36449 201.807 29.5433 -104.722 29.5424 60.688 GPRESSURE: 2877000 143.809 -19.0477 -88.8377 12.6898 227.616 29.502 -95.0804 72.7036 143.184 PRESSAVG: 2877000 31.2226 35.3265 -42.1711 35.3266 -14.1153 -3.98918 -42.1711 -3.98934 -20.8063 GPRESSAVG: 2877000 32.5442 35.6221 -43.6322 35.1615 -14.712 -4.45866 -43.7617 -2.30875 -20.8684 TIMING: 2877000 CPU: 8348.43, 0.00293433/step Wall: 8348.43, 0.00293433/step, 1.73044 hours remaining, 209.031250 MB of memory in use. ENERGY: 2877000 738.7917 2121.0101 1974.3550 121.9078 -206314.3955 17912.9050 0.0000 0.0000 34387.2851 -149058.1406 300.3127 -183445.4258 -148968.5468 299.3541 137.6414 171.5361 558220.4392 -1.2330 -1.0121 PRESSURE: 2877200 24.934 36.667 186.167 36.6673 35.5663 96.0226 186.168 96.0227 -77.8786 GPRESSURE: 2877200 19.514 58.2328 149.005 23.4225 72.716 124.229 132.484 59.1686 -25.355 PRESSAVG: 2877200 -5.60247 -0.652976 -9.21146 -0.652899 20.7029 -9.34059 -9.21137 -9.34053 -53.6755 GPRESSAVG: 2877200 -4.87973 -2.16779 -8.87561 -2.21836 20.6555 -7.96598 -8.34958 -11.6834 -54.9318 TIMING: 2877200 CPU: 8349.02, 0.00293591/step Wall: 8349.02, 0.00293591/step, 1.73121 hours remaining, 209.031250 MB of memory in use. ENERGY: 2877200 726.2235 2111.3990 2021.5472 113.5254 -205959.7817 17759.3183 0.0000 0.0000 34150.8866 -149076.8818 298.2482 -183227.7683 -148980.1742 299.3330 -5.7928 22.2916 559066.0844 -12.8584 -13.0520 PRESSURE: 2877400 -378.183 -86.8662 8.83021 -86.8664 -312.397 59.5114 8.8302 59.5123 -33.91 GPRESSURE: 2877400 -386.812 -102.809 -46.4898 -105.389 -244.147 146.547 -2.20247 29.6613 -3.24628 PRESSAVG: 2877400 -18.0308 -44.2233 34.3751 -44.2234 73.2362 44.3462 34.3751 44.3462 -37.7878 GPRESSAVG: 2877400 -19.3945 -42.3597 35.1225 -43.0544 73.5161 46.0211 34.4529 44.1353 -36.5297 TIMING: 2877400 CPU: 8349.6, 0.00292092/step Wall: 8349.6, 0.00292092/step, 1.72221 hours remaining, 209.031250 MB of memory in use. ENERGY: 2877400 778.4615 2123.3038 1979.7127 112.1990 -205932.0501 17567.5116 0.0000 0.0000 34283.3733 -149087.4882 299.4052 -183370.8615 -148984.8905 299.5932 -241.4967 -211.4018 557780.6966 5.8059 5.8640 PRESSURE: 2877600 -78.6135 -131.24 119.444 -131.241 183.743 90.6998 119.443 90.6983 -177.059 GPRESSURE: 2877600 -55.3993 -39.1794 143.027 -137.196 203.177 7.46989 177.983 159.497 -118.204 PRESSAVG: 2877600 -38.4387 -10.5111 19.0369 -10.511 37.8602 37.9679 19.0369 37.9678 -4.68859 GPRESSAVG: 2877600 -37.3095 -9.78773 19.4095 -10.6948 36.915 34.9131 20.046 40.0121 -4.58783 TIMING: 2877600 CPU: 8350.19, 0.00292168/step Wall: 8350.19, 0.00292168/step, 1.7225 hours remaining, 209.031250 MB of memory in use. ENERGY: 2877600 755.5047 2076.1975 1975.0810 110.6943 -206270.3907 17871.1996 0.0000 0.0000 34388.4307 -149093.2829 300.3227 -183481.7136 -148993.5496 298.9141 -23.9764 9.8579 557444.1598 -1.7557 -1.6608 PRESSURE: 2877800 -108.951 -87.7545 1.46165 -87.7552 -350.23 -79.3848 1.46218 -79.3858 -192.747 GPRESSURE: 2877800 -84.6653 -144.189 -41.535 -48.6268 -349.797 -102.026 -28.4892 -102.275 -124.195 PRESSAVG: 2877800 74.8532 27.2955 46.2469 27.2956 -0.0732317 -64.3861 46.2468 -64.3862 -50.3221 GPRESSAVG: 2877800 74.0431 27.1037 46.3657 27.5688 0.71119 -62.811 43.347 -66.8071 -50.0011 TIMING: 2877800 CPU: 8350.77, 0.00291082/step Wall: 8350.77, 0.00291082/step, 1.71593 hours remaining, 209.031250 MB of memory in use. ENERGY: 2877800 749.4021 2112.6630 1952.6610 104.5699 -205500.6548 17311.5248 0.0000 0.0000 34260.3855 -149009.4484 299.2045 -183269.8340 -148913.2376 299.6436 -217.3091 -186.2190 557707.3985 8.1526 8.2511 PRESSURE: 2878000 -125.983 -18.9476 121.802 -18.9481 -7.18473 -140.677 121.802 -140.676 -404.718 GPRESSURE: 2878000 -73.2916 -73.8748 118.059 0.291028 -34.734 -29.2946 171.056 -229.707 -333.191 PRESSAVG: 2878000 42.9357 25.4385 22.4623 25.4384 -50.5075 -4.56521 22.4622 -4.56517 3.26546 GPRESSAVG: 2878000 43.8129 24.3248 21.3507 26.3105 -51.6235 -6.1764 23.808 -2.16708 3.28801 TIMING: 2878000 CPU: 8351.35, 0.00290225/step Wall: 8351.35, 0.00290224/step, 1.71071 hours remaining, 209.031250 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: 2878000 745.9278 2130.0870 1980.3001 122.0149 -205972.4647 17580.8468 0.0000 0.0000 34395.9932 -149017.2949 300.3888 -183413.2881 -148923.3974 300.2144 -179.2950 -147.0722 557392.8535 -1.4354 -1.5075 PRESSURE: 2878200 -4.76319 0.130424 155.886 0.132448 -82.2233 -114.892 155.886 -114.892 -202.313 GPRESSURE: 2878200 1.83778 72.3842 158.402 -45.0343 -48.2796 -137.864 119.194 -107.552 -142.015 PRESSAVG: 2878200 15.569 -11.6605 31.7462 -11.6605 -13.02 -9.13335 31.7461 -9.13339 -23.2683 GPRESSAVG: 2878200 15.4601 -13.3282 32.3351 -11.2196 -13.9327 -9.45375 30.3714 -8.33809 -21.8312 TIMING: 2878200 CPU: 8351.93, 0.00289145/step Wall: 8351.93, 0.00289145/step, 1.70419 hours remaining, 209.031250 MB of memory in use. ENERGY: 2878200 734.1909 2158.0716 1989.6218 116.0128 -206111.4445 17666.7609 0.0000 0.0000 34602.8389 -148843.9475 302.1952 -183446.7864 -148745.3943 300.6213 -96.4333 -62.8190 557136.2024 -6.9065 -6.7679 PRESSURE: 2878400 -4.20219 6.15726 117.476 6.15883 -100.596 47.3252 117.475 47.3252 146.12 GPRESSURE: 2878400 50.485 -82.6832 252.594 20.1453 -66.6867 -20.5374 21.27 129.073 141.462 PRESSAVG: 2878400 5.8855 -15.0976 54.8172 -15.0975 39.4484 11.0118 54.8172 11.0118 -49.2032 GPRESSAVG: 2878400 5.77514 -15.2073 55.1333 -14.8744 40.1198 14.1316 55.8665 9.72159 -49.7887 TIMING: 2878400 CPU: 8352.51, 0.00290289/step Wall: 8352.51, 0.00290289/step, 1.71077 hours remaining, 209.031250 MB of memory in use. ENERGY: 2878400 748.0948 2120.1897 1960.5903 105.0058 -206410.1471 17978.2735 0.0000 0.0000 34654.3765 -148843.6164 302.6453 -183497.9929 -148749.0375 300.2549 13.7739 41.7535 558492.6976 -1.2898 -1.2979 PRESSURE: 2878600 -243.345 44.1223 268.205 44.1226 -130.877 92.0952 268.204 92.0947 -48.0536 GPRESSURE: 2878600 -262.636 169.403 258.448 14.8572 -81.8831 77.0617 174.238 44.9103 11.1372 PRESSAVG: 2878600 -55.1947 -21.0618 28.9968 -21.0619 -1.27588 29.9358 28.9968 29.9357 64.312 GPRESSAVG: 2878600 -54.1299 -19.9529 26.9144 -20.8347 -1.5311 28.4974 29.9546 29.9013 63.2694 TIMING: 2878600 CPU: 8353.09, 0.0029065/step Wall: 8353.09, 0.0029065/step, 1.71274 hours remaining, 209.031250 MB of memory in use. ENERGY: 2878600 734.5264 2098.5200 1992.6297 113.5767 -205738.1540 17641.7919 0.0000 0.0000 34332.0007 -148825.1085 299.8299 -183157.1092 -148726.0455 300.8867 -140.7586 -111.1274 558800.2177 2.6138 2.5361 PRESSURE: 2878800 65.8266 -6.09523 -85.3011 -6.09591 -60.3069 -23.5676 -85.3012 -23.5694 -131.2 GPRESSURE: 2878800 68.667 -10.1855 -129.308 -40.2093 -26.5501 -70.6763 -67.9477 53.0732 -69.0812 PRESSAVG: 2878800 10.65 36.8313 -25.9219 36.8314 -1.95095 60.475 -25.9219 60.4749 -5.62984 GPRESSAVG: 2878800 10.7147 35.7573 -23.905 37.7285 -2.83555 59.0828 -26.3242 61.7633 -4.89893 TIMING: 2878800 CPU: 8353.67, 0.0029011/step Wall: 8353.67, 0.0029011/step, 1.70939 hours remaining, 209.031250 MB of memory in use. ENERGY: 2878800 720.7865 2115.3348 1971.3743 116.5175 -205695.5539 17615.1760 0.0000 0.0000 34333.5023 -148822.8625 299.8430 -183156.3648 -148723.6902 300.4604 -41.8935 -8.9881 558758.1959 1.0231 0.9934 PRESSURE: 2879000 -69.0159 26.5948 -66.1067 26.5943 93.5709 -28.3811 -66.107 -28.3807 -127.743 GPRESSURE: 2879000 -22.3379 -75.6123 -63.0108 11.3019 58.0319 31.8828 -50.8821 -54.1805 -50.5774 PRESSAVG: 2879000 14.04 14.2182 -59.3255 14.2182 13.2261 0.494469 -59.3255 0.494389 -23.4595 GPRESSAVG: 2879000 12.1532 15.1581 -58.7553 10.7836 14.0693 3.56992 -59.5386 0.320865 -23.0498 TIMING: 2879000 CPU: 8354.25, 0.00291547/step Wall: 8354.25, 0.00291547/step, 1.7177 hours remaining, 209.031250 MB of memory in use. ENERGY: 2879000 781.5188 2142.4291 1975.2677 120.6691 -206404.6898 17947.5433 0.0000 0.0000 34572.3020 -148864.9599 301.9285 -183437.2619 -148765.8359 300.3921 -34.3961 -4.9611 558369.7570 1.2688 1.0576 PRESSURE: 2879200 -194.612 92.6602 61.7027 92.6601 7.70421 -116.454 61.7027 -116.455 83.7311 GPRESSURE: 2879200 -166.365 85.5301 37.8105 71.9551 61.8546 -85.7826 20.4978 -159.802 91.2824 PRESSAVG: 2879200 -7.50381 14.4243 -68.5525 14.4242 10.6269 -40.3257 -68.5525 -40.3257 -40.542 GPRESSAVG: 2879200 -5.80977 13.099 -69.6536 15.6363 10.3829 -43.184 -68.3675 -39.1567 -42.2549 TIMING: 2879200 CPU: 8354.83, 0.00291127/step Wall: 8354.83, 0.00291127/step, 1.71506 hours remaining, 209.031250 MB of memory in use. ENERGY: 2879200 740.1341 2100.4278 1995.8469 125.0540 -205735.1211 17610.9426 0.0000 0.0000 34306.7438 -148855.9719 299.6093 -183162.7157 -148754.5534 300.8263 -34.3923 -4.4095 559198.6535 -12.4730 -12.5606 PRESSURE: 2879400 -10.1033 44.9707 -0.688937 44.9709 -335.48 -49.7518 -0.690686 -49.7515 -58.4463 GPRESSURE: 2879400 11.0375 31.5327 -7.82965 118.467 -295.609 -103.533 -20.5673 -66.0453 -9.80685 PRESSAVG: 2879400 37.3527 17.0521 -32.3699 17.0519 -34.1644 -12.6161 -32.3698 -12.616 15.6052 GPRESSAVG: 2879400 38.3146 17.515 -31.8246 20.1009 -33.7366 -11.1571 -32.4815 -12.4218 14.1971 TIMING: 2879400 CPU: 8355.42, 0.0029096/step Wall: 8355.42, 0.0029096/step, 1.71392 hours remaining, 209.031250 MB of memory in use. ENERGY: 2879400 769.6442 2174.4923 1976.9545 117.9318 -205722.1153 17670.3691 0.0000 0.0000 34273.8810 -148738.8423 299.3223 -183012.7233 -148642.9100 300.3623 -134.6764 -98.1262 559095.9886 6.2645 6.2584 PRESSURE: 2879600 12.4762 -92.2979 114.597 -92.2983 68.0064 54.3981 114.598 54.3978 11.7525 GPRESSURE: 2879600 102.324 -29.4489 59.2723 -135.715 39.1985 91.5 135.268 78.9361 46.565 PRESSAVG: 2879600 68.4275 -0.668951 -15.8998 -0.668941 -22.0037 -49.0341 -15.8996 -49.034 -29.0191 GPRESSAVG: 2879600 68.1547 -0.340756 -16.9758 -4.11089 -22.395 -47.4299 -13.9136 -51.9303 -28.3623 TIMING: 2879600 CPU: 8356, 0.00290598/step Wall: 8356, 0.00290598/step, 1.71162 hours remaining, 209.031250 MB of memory in use. ENERGY: 2879600 796.6607 2123.3383 1971.1710 114.1975 -206291.8920 18007.1833 0.0000 0.0000 34414.6535 -148864.6876 300.5517 -183279.3410 -148769.2542 299.9877 30.7450 62.6957 557732.6969 5.8016 5.7991 PRESSURE: 2879800 -126.462 77.7226 -2.22414 77.723 -194.607 -214.656 -2.2243 -214.656 -279.7 GPRESSURE: 2879800 -120.715 100.488 14.9834 26.4058 -149.165 -112.732 16.3922 -298.049 -240.544 PRESSAVG: 2879800 23.8193 -11.6211 -26.2878 -11.6212 -13.6606 24.5838 -26.2878 24.5837 26.4973 GPRESSAVG: 2879800 23.2546 -12.1895 -25.1955 -9.90116 -13.9094 23.743 -27.7184 23.9042 27.2445 TIMING: 2879800 CPU: 8356.58, 0.00289699/step Wall: 8356.58, 0.00289699/step, 1.70617 hours remaining, 209.031250 MB of memory in use. ENERGY: 2879800 777.9609 2167.4477 1965.8134 117.2607 -205883.5955 17604.8260 0.0000 0.0000 34352.9943 -148897.2924 300.0132 -183250.2867 -148799.4518 299.8790 -200.2563 -170.1414 556080.5822 12.2186 12.1966 PRESSURE: 2880000 -45.6591 -174.167 -78.7303 -174.168 20.3762 -9.15489 -78.7297 -9.15551 -27.4268 GPRESSURE: 2880000 -1.7171 -174.59 -103.285 -244.347 37.7135 79.468 -87.3849 -10.0384 4.09184 PRESSAVG: 2880000 -59.5266 -19.1677 -41.2583 -19.1677 2.24204 -1.18244 -41.2583 -1.18252 33.8877 GPRESSAVG: 2880000 -59.774 -18.6669 -42.4508 -20.768 2.35377 -2.13898 -39.176 1.4851 33.3798 TIMING: 2880000 CPU: 8357.16, 0.00289376/step Wall: 8357.16, 0.00289376/step, 1.7041 hours remaining, 209.031250 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: 2880000 737.5803 2188.0711 1958.3459 113.7788 -205686.5573 17669.8553 0.0000 0.0000 34269.3006 -148749.6254 299.2823 -183018.9260 -148657.4333 300.9972 -17.5699 13.3627 557070.2486 -7.7990 -8.0135 PRESSURE: 2880200 159.539 125.313 196.362 125.313 227.241 19.0749 196.362 19.0731 181.43 GPRESSURE: 2880200 179.739 54.1802 142.433 186.313 247.413 -28.8047 127.055 61.1973 246.226 PRESSAVG: 2880200 18.1289 9.53881 -17.4214 9.53882 -16.1545 32.0999 -17.4215 32.0999 38.9719 GPRESSAVG: 2880200 18.0556 8.67663 -18.8323 10.0613 -17.0341 32.7924 -17.1654 28.2705 39.9798 TIMING: 2880200 CPU: 8357.74, 0.00291428/step Wall: 8357.74, 0.00291428/step, 1.71603 hours remaining, 209.031250 MB of memory in use. ENERGY: 2880200 761.2901 2127.4678 1955.3219 113.6968 -206347.8686 18144.0482 0.0000 0.0000 34412.8357 -148833.2081 300.5359 -183246.0438 -148741.3488 299.9923 189.4033 224.4596 557160.5330 13.6488 13.6671 LDB: ============= START OF LOAD BALANCING ============== 8361.2 LDB: ============== END OF LOAD BALANCING =============== 8361.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8361.21 LDB: ============= START OF LOAD BALANCING ============== 8361.5 LDB: Largest compute 4820 load 0.028672 is 24.3% of average load 0.117820 LDB: Average compute 0.001722 is 1.5% of average load 0.117820 LDB: TIME 8361.5 LOAD: AVG 0.11782 MAX 0.179321 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 8361.5 LOAD: AVG 0.11782 MAX 0.179321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 8361.5 LOAD: AVG 0.11782 MAX 0.179321 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8361.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8361.51 PRESSURE: 2880400 8.59548 43.3649 108.264 43.3648 -245.977 -271.563 108.265 -271.563 20.5441 GPRESSURE: 2880400 38.0652 71.0391 96.6122 -25.4455 -220.126 -216.246 116.192 -196.588 58.2866 PRESSAVG: 2880400 -10.0397 -2.98516 100.537 -2.98516 23.9771 -26.5655 100.538 -26.5656 19.9809 GPRESSAVG: 2880400 -10.3406 -1.29922 102.883 -2.30688 24.5468 -28.5322 98.5347 -23.2533 19.8767 TIMING: 2880400 CPU: 8358.33, 0.00296214/step Wall: 8358.33, 0.00296214/step, 1.74404 hours remaining, 205.621094 MB of memory in use. ENERGY: 2880400 773.5277 2124.5296 1989.7710 108.0503 -205971.3783 17808.1114 0.0000 0.0000 34255.1681 -148912.2202 299.1589 -183167.3883 -148816.2160 300.0458 -72.2791 -41.2580 557970.7476 11.3061 11.3610 PRESSURE: 2880600 -267.381 -138.279 18.3531 -138.278 -3.60398 -18.0436 18.3529 -18.0435 54.1969 GPRESSURE: 2880600 -190.54 -139.687 -55.2386 -101.076 18.8716 -8.46205 93.2086 70.2477 52.2796 PRESSAVG: 2880600 -44.6334 16.6122 41.9049 16.6123 -8.11374 -103.661 41.9049 -103.661 22.8678 GPRESSAVG: 2880600 -43.8364 15.2767 43.0035 14.8222 -7.98645 -103.551 40.8031 -103.279 22.137 TIMING: 2880600 CPU: 8358.91, 0.00290587/step Wall: 8358.91, 0.00290587/step, 1.71075 hours remaining, 205.824219 MB of memory in use. ENERGY: 2880600 738.8536 2165.4295 1946.0051 115.7916 -205574.6141 17547.7794 0.0000 0.0000 34131.4529 -148929.3020 298.0785 -183060.7549 -148830.7445 299.2326 -72.2628 -39.7962 557038.3295 -9.9598 -9.8953 PRESSURE: 2880800 -166.708 65.3753 -40.5721 65.3749 -65.8438 -68.4883 -40.5712 -68.4878 431.762 GPRESSURE: 2880800 -101.229 75.0994 -88.7193 17.4715 -70.5968 -108.657 1.6517 72.2791 460.199 PRESSAVG: 2880800 -74.9086 2.7061 -18.2356 2.7061 29.6836 -22.5953 -18.2356 -22.5953 29.3924 GPRESSAVG: 2880800 -75.7908 1.24802 -18.5993 4.94223 29.93 -21.6314 -17.107 -23.2073 30.111 TIMING: 2880800 CPU: 8359.49, 0.0029127/step Wall: 8359.49, 0.0029127/step, 1.71461 hours remaining, 205.824219 MB of memory in use. ENERGY: 2880800 771.0259 2097.1288 1977.9107 119.8791 -205850.7864 17685.5697 0.0000 0.0000 34301.6210 -148897.6511 299.5646 -183199.2721 -148801.9885 299.8015 66.4035 96.1243 556530.0167 -5.2776 -5.2500 PRESSURE: 2881000 -252.09 40.8503 -129.265 40.8486 -66.3796 -41.9617 -129.266 -41.9608 131.472 GPRESSURE: 2881000 -230.137 19.6185 -103.672 10.3716 -36.8925 -120.369 -86.96 -54.1551 193.56 PRESSAVG: 2881000 -107.967 -30.0679 -12.3793 -30.0679 54.8348 19.7363 -12.3792 19.7363 41.3388 GPRESSAVG: 2881000 -107.962 -29.4532 -10.701 -33.1049 55.3334 18.5702 -13.6169 18.7318 40.6665 TIMING: 2881000 CPU: 8360.08, 0.00292516/step Wall: 8360.08, 0.00292516/step, 1.72178 hours remaining, 205.824219 MB of memory in use. ENERGY: 2881000 702.7940 2105.0251 1957.9346 112.5822 -205838.5808 17472.6541 0.0000 0.0000 34468.5936 -149018.9973 301.0228 -183487.5909 -148924.7689 299.8794 -62.3327 -24.4896 556306.0354 -3.9310 -3.9875 PRESSURE: 2881200 -269.693 32.9349 -154.583 32.934 167.345 -122.972 -154.581 -122.973 -157.68 GPRESSURE: 2881200 -225.59 48.5636 -101.704 28.7655 140.44 -5.64233 -145.428 -84.6324 -72.7707 PRESSAVG: 2881200 -113.089 -19.6595 10.4678 -19.6594 73.9302 -4.58968 10.4678 -4.58954 55.9815 GPRESSAVG: 2881200 -112.512 -19.0381 8.1287 -18.8838 73.7198 -4.09077 11.7804 -2.79834 55.3725 TIMING: 2881200 CPU: 8360.66, 0.00289274/step Wall: 8360.66, 0.00289274/step, 1.70254 hours remaining, 205.824219 MB of memory in use. ENERGY: 2881200 748.6562 2121.6900 1967.5338 120.5075 -206157.1090 17718.0988 0.0000 0.0000 34435.0706 -149045.5521 300.7300 -183480.6227 -148940.7895 299.5024 -86.6762 -52.6403 556362.1676 5.6074 5.5268 PRESSURE: 2881400 32.0239 122.786 -4.40524 122.786 213.214 -87.9583 -4.40576 -87.9573 -320.208 GPRESSURE: 2881400 13.0423 92.8934 37.4299 66.5412 275.45 -43.7313 -81.6136 -93.1808 -270.873 PRESSAVG: 2881400 -26.5899 9.65333 -43.0604 9.65336 56.0734 -24.264 -43.0603 -24.264 5.84135 GPRESSAVG: 2881400 -26.9989 9.50793 -41.3846 10.2171 55.663 -22.2991 -44.5993 -25.6449 6.36629 TIMING: 2881400 CPU: 8361.24, 0.00292192/step Wall: 8361.24, 0.00292192/step, 1.71955 hours remaining, 205.824219 MB of memory in use. ENERGY: 2881400 752.2229 2144.3211 1971.7485 119.1661 -205956.6705 17723.8105 0.0000 0.0000 34337.8649 -148907.5365 299.8811 -183245.4014 -148805.1337 299.5291 -24.9901 5.8729 556446.3793 11.7750 11.6768 PRESSURE: 2881600 -10.4247 -41.4545 -55.2451 -41.4524 163.658 98.9448 -55.2459 98.9453 78.5003 GPRESSURE: 2881600 -3.41235 -140.851 -61.3681 118.522 183.094 -16.1232 15.1986 107.302 163.266 PRESSAVG: 2881600 -38.2946 37.069 -43.2322 37.069 21.6292 -10.4481 -43.2321 -10.4482 -16.4747 GPRESSAVG: 2881600 -37.2963 36.374 -42.2173 37.4627 20.8352 -11.4462 -41.8457 -9.82508 -16.9788 TIMING: 2881600 CPU: 8361.82, 0.00290885/step Wall: 8361.82, 0.00290885/step, 1.7117 hours remaining, 205.824219 MB of memory in use. ENERGY: 2881600 761.9319 2099.9129 1953.7176 118.6978 -205848.3919 17556.2436 0.0000 0.0000 34542.1534 -148815.7349 301.6652 -183357.8883 -148719.8747 300.7230 77.2446 114.3157 557408.3619 -11.0467 -11.1466 PRESSURE: 2881800 -196.465 66.0892 -160.62 66.0897 -177.861 -69.4759 -160.62 -69.4754 215.663 GPRESSURE: 2881800 -208.837 70.8739 -176.052 67.5213 -113.446 -58.0273 -165.545 -86.7773 259.269 PRESSAVG: 2881800 -41.0054 30.6093 -25.3658 30.6093 53.8372 11.86 -25.3658 11.8599 -25.0158 GPRESSAVG: 2881800 -40.3683 32.1994 -28.2517 30.2647 53.3315 11.09 -23.8622 13.2352 -25.2879 TIMING: 2881800 CPU: 8362.4, 0.00289946/step Wall: 8362.4, 0.00289946/step, 1.70601 hours remaining, 205.824219 MB of memory in use. ENERGY: 2881800 739.2724 2093.6528 2001.0571 122.3014 -206012.7232 17682.6779 0.0000 0.0000 34467.7737 -148905.9879 301.0156 -183373.7616 -148817.1984 299.9976 -52.8878 -21.0046 559352.6581 -4.0613 -4.1082 PRESSURE: 2882000 -55.7704 89.3844 -170.084 89.3855 -2.32092 -60.7042 -170.085 -60.703 -338.063 GPRESSURE: 2882000 -33.5766 -37.3728 -196.776 162.533 6.09467 16.7609 -142.586 -8.92218 -282.16 PRESSAVG: 2882000 -24.3264 8.48447 13.8611 8.48447 40.9857 15.7291 13.8611 15.7291 13.3679 GPRESSAVG: 2882000 -24.8993 7.05739 15.9696 9.7092 40.5896 16.7894 8.72522 16.5657 14.5955 TIMING: 2882000 CPU: 8362.99, 0.0029086/step Wall: 8362.99, 0.0029086/step, 1.71123 hours remaining, 205.824219 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: 2882000 764.0974 2068.0076 1971.7616 126.3267 -205757.6396 17522.0330 0.0000 0.0000 34324.2415 -148981.1718 299.7621 -183305.4133 -148884.9511 300.2538 -132.0514 -103.2139 558974.7163 10.0091 10.0953 PRESSURE: 2882200 3.80572 48.0984 -54.9423 48.0985 -91.1436 213.679 -54.9416 213.68 -46.0832 GPRESSURE: 2882200 34.199 41.5019 -44.5046 42.3186 -54.8578 243.444 -0.853093 159.565 -19.3718 PRESSAVG: 2882200 20.9019 -12.0408 -28.694 -12.0408 -8.98302 31.21 -28.6939 31.21 21.0591 GPRESSAVG: 2882200 21.278 -11.6103 -28.9643 -12.2352 -8.53449 30.4182 -25.7619 28.6378 20.5278 TIMING: 2882200 CPU: 8363.57, 0.00291725/step Wall: 8363.57, 0.00291725/step, 1.71615 hours remaining, 205.824219 MB of memory in use. ENERGY: 2882200 709.7445 2192.5665 1967.5625 117.6045 -206106.4802 17777.2738 0.0000 0.0000 34175.5685 -149166.1598 298.4637 -183341.7283 -149068.9981 299.9352 -44.4737 -13.3435 557975.4233 10.9927 11.0904 PRESSURE: 2882400 -44.5694 116.86 31.428 116.861 64.3609 97.8683 31.4265 97.8703 -328.434 GPRESSURE: 2882400 -26.8391 86.2319 84.6161 160.629 97.7632 150.507 89.0029 58.0336 -289.569 PRESSAVG: 2882400 1.07006 6.19046 9.785 6.19046 31.9547 37.1281 9.78489 37.128 -70.5842 GPRESSAVG: 2882400 0.644955 7.66742 11.7296 6.37816 31.4377 37.8471 8.19353 39.0708 -70.4263 TIMING: 2882400 CPU: 8364.15, 0.00291445/step Wall: 8364.15, 0.00291445/step, 1.71434 hours remaining, 205.824219 MB of memory in use. ENERGY: 2882400 735.9948 2108.8334 1985.6558 106.0002 -205889.9551 17645.4644 0.0000 0.0000 34274.9244 -149033.0820 299.3314 -183308.0064 -148932.1821 299.7225 -102.8809 -72.8816 558647.2983 -12.5198 -12.7812 PRESSURE: 2882600 30.2396 81.6532 189.906 81.6531 149.325 57.2664 189.906 57.2665 111.427 GPRESSURE: 2882600 78.6049 52.8873 215.702 15.0926 173.132 -39.1298 162.321 110.966 136.808 PRESSAVG: 2882600 1.88846 46.5182 9.37721 46.5183 64.8285 7.63124 9.3772 7.63121 -34.1213 GPRESSAVG: 2882600 0.794774 44.2363 6.19824 45.5214 65.6473 5.88032 10.6602 8.81584 -34.2123 TIMING: 2882600 CPU: 8364.73, 0.00290345/step Wall: 8364.73, 0.00290345/step, 1.70771 hours remaining, 205.824219 MB of memory in use. ENERGY: 2882600 739.5737 2132.9288 1975.6981 118.1058 -205848.2958 17772.4211 0.0000 0.0000 34281.3651 -148828.2032 299.3877 -183109.5683 -148733.4168 299.9258 96.9974 129.5147 558222.6623 10.8652 10.7433 PRESSURE: 2882800 -49.6293 -104.995 37.5571 -104.995 -200.949 106.738 37.557 106.737 -283.23 GPRESSURE: 2882800 -30.9211 -78.9364 53.3613 -79.0686 -219.13 89.5087 16.2833 50.5908 -195.685 PRESSAVG: 2882800 51.4532 12.8914 27.1008 12.8913 -43.1336 1.67354 27.101 1.67346 -39.54 GPRESSAVG: 2882800 52.0189 14.4963 28.0574 13.1937 -42.7933 3.16271 27.8783 -0.0859044 -40.7805 TIMING: 2882800 CPU: 8365.32, 0.00293028/step Wall: 8365.32, 0.00293028/step, 1.72333 hours remaining, 205.824219 MB of memory in use. ENERGY: 2882800 720.6516 2116.8610 1960.7127 116.2300 -205856.3989 17567.3316 0.0000 0.0000 34423.4637 -148951.1484 300.6287 -183374.6121 -148855.9109 299.9125 -177.9359 -148.5786 558955.6356 -10.4068 -10.5183 PRESSURE: 2883000 -176.092 -199.355 116.415 -199.355 77.7898 -74.8259 116.415 -74.8251 -219.716 GPRESSURE: 2883000 -124.889 -196.363 95.1572 -244.853 74.557 -116.102 112.816 -14.1797 -165.604 PRESSAVG: 2883000 -29.6827 3.16104 30.6258 3.16108 52.4314 33.4868 30.6257 33.4869 -18.2812 GPRESSAVG: 2883000 -30.3536 2.33537 30.1125 2.50119 51.704 34.7698 29.2171 30.9057 -17.0765 TIMING: 2883000 CPU: 8365.9, 0.00290563/step Wall: 8365.9, 0.00290563/step, 1.70867 hours remaining, 205.824219 MB of memory in use. ENERGY: 2883000 774.9562 2136.0693 1965.0960 112.9626 -205898.2247 17605.2756 0.0000 0.0000 34130.2262 -149173.6388 298.0678 -183303.8651 -149083.3897 299.6382 -106.0060 -71.9786 558435.1760 1.4892 1.4246 PRESSURE: 2883200 264.774 44.5113 -70.7038 44.5111 83.0358 -181.268 -70.7032 -181.268 -176.6 GPRESSURE: 2883200 238.264 25.4858 -91.7615 -20.8256 85.8488 -231.529 -117.596 -222.126 -68.7964 PRESSAVG: 2883200 -23.9296 -20.9377 -10.6988 -20.9377 88.336 -30.8301 -10.6987 -30.8302 -39.0369 GPRESSAVG: 2883200 -24.1416 -19.2284 -9.37571 -23.1034 88.9449 -31.3414 -11.242 -29.0845 -39.6132 TIMING: 2883200 CPU: 8366.48, 0.00288528/step Wall: 8366.48, 0.00288528/step, 1.69655 hours remaining, 205.824219 MB of memory in use. ENERGY: 2883200 786.0763 2117.6748 1971.5377 119.1136 -206648.9052 18144.5791 0.0000 0.0000 34347.4600 -149162.4638 299.9649 -183509.9238 -149071.6686 299.0758 57.0699 85.1053 558218.2711 8.4565 8.3967 PRESSURE: 2883400 67.4849 73.2674 -120.491 73.2672 -156.096 54.7678 -120.491 54.7666 -132.213 GPRESSURE: 2883400 117.587 102.581 -168.573 142.592 -101.6 11.0408 25.9339 108.667 -140.411 PRESSAVG: 2883400 -10.4704 -13.0872 27.4923 -13.0872 45.1019 -17.19 27.4924 -17.1901 -20.0382 GPRESSAVG: 2883400 -10.2524 -13.5955 24.6835 -11.5474 43.9827 -17.8832 29.1792 -16.4431 -19.0735 TIMING: 2883400 CPU: 8367.06, 0.00290321/step Wall: 8367.06, 0.00290321/step, 1.70693 hours remaining, 205.824219 MB of memory in use. ENERGY: 2883400 786.2040 2136.1398 1958.9564 105.1223 -206291.0388 17860.9181 0.0000 0.0000 34272.2359 -149171.4623 299.3080 -183443.6982 -149077.1075 299.3310 -73.6081 -41.4747 557980.9587 4.8644 4.8856 PRESSURE: 2883600 -45.8889 83.8207 -145.61 83.821 265.488 -5.22847 -145.611 -5.22782 -62.3457 GPRESSURE: 2883600 5.95129 97.3543 -51.0597 18.0737 270.428 -31.2032 -100.906 36.3097 -30.6391 PRESSAVG: 2883600 -3.78124 34.3705 -33.1733 34.3705 13.732 -10.496 -33.1733 -10.4959 4.59029 GPRESSAVG: 2883600 -3.59402 35.2959 -30.4498 35.0469 14.311 -9.98693 -33.7923 -11.0948 4.19987 TIMING: 2883600 CPU: 8367.64, 0.00289788/step Wall: 8367.64, 0.00289788/step, 1.70363 hours remaining, 205.824219 MB of memory in use. ENERGY: 2883600 748.3718 2094.5145 1958.1615 110.4518 -206149.7008 17851.7486 0.0000 0.0000 34343.1848 -149043.2680 299.9276 -183386.4527 -148940.1657 299.4619 52.4177 81.9135 557432.5700 4.8470 4.9723 PRESSURE: 2883800 40.7826 -61.8649 72.9631 -61.8655 147.166 -117.448 72.9628 -117.449 -150.73 GPRESSURE: 2883800 26.0681 -78.2456 151.343 69.4268 191.378 -16.4898 15.9241 -124.549 -83.6209 PRESSAVG: 2883800 -45.9774 -29.3569 -23.0655 -29.3569 41.4878 -34.4614 -23.0655 -34.4615 -3.48162 GPRESSAVG: 2883800 -45.6329 -30.7011 -21.5885 -28.9405 41.2499 -33.7555 -23.2575 -35.1111 -3.59119 TIMING: 2883800 CPU: 8368.22, 0.00291693/step Wall: 8368.22, 0.00291693/step, 1.71467 hours remaining, 205.824219 MB of memory in use. ENERGY: 2883800 746.0777 2089.7270 1967.7521 128.3245 -206158.6015 17854.3482 0.0000 0.0000 34289.4946 -149082.8774 299.4587 -183372.3720 -148985.9517 300.2127 12.4059 44.6084 556810.4814 -2.6571 -2.6580 PRESSURE: 2884000 -289.004 -30.2457 12.6039 -30.2461 -109.45 24.8916 12.6037 24.8915 9.43409 GPRESSURE: 2884000 -210.782 -95.4416 100.5 -70.6112 -112.386 97.9843 -3.7007 67.9734 34.6974 PRESSAVG: 2884000 12.2542 22.4992 -13.8435 22.4994 -27.4941 -16.6479 -13.8435 -16.6479 -1.7138 GPRESSAVG: 2884000 13.551 22.5128 -17.0258 22.9687 -28.9802 -18.0664 -13.3296 -17.0559 -1.55164 TIMING: 2884000 CPU: 8368.8, 0.00290228/step Wall: 8368.8, 0.00290228/step, 1.70589 hours remaining, 205.824219 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: 2884000 755.3322 2106.0717 1962.4622 99.1130 -205837.0362 17632.0397 0.0000 0.0000 34106.4146 -149175.6029 297.8598 -183282.0175 -149080.7092 298.9866 -129.6736 -96.1570 559372.9551 -5.6512 -5.6603 PRESSURE: 2884200 -230.188 15.1113 -108.177 15.1111 -176.893 -110.849 -108.177 -110.849 -140.031 GPRESSURE: 2884200 -160.637 18.2552 -144.758 -24.7479 -166.874 -65.8661 -61.9895 -205.598 -116.315 PRESSAVG: 2884200 2.43291 -33.4212 -1.60591 -33.4212 -27.8795 9.86672 -1.60605 9.86682 45.5233 GPRESSAVG: 2884200 3.12488 -33.8828 0.882223 -33.3919 -27.0589 10.2616 -1.56545 10.3834 44.0079 TIMING: 2884200 CPU: 8369.38, 0.00289714/step Wall: 8369.38, 0.00289714/step, 1.70271 hours remaining, 205.824219 MB of memory in use. ENERGY: 2884200 751.7326 2152.3207 1984.0529 119.6413 -205846.1398 17467.3523 0.0000 0.0000 34216.6436 -149154.3963 298.8225 -183371.0399 -149056.9800 299.5663 -182.3708 -147.9420 558152.1722 6.6922 6.6913 LDB: ============= START OF LOAD BALANCING ============== 8372.85 LDB: ============== END OF LOAD BALANCING =============== 8372.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8372.85 LDB: ============= START OF LOAD BALANCING ============== 8373.14 LDB: Largest compute 4820 load 0.028192 is 24.0% of average load 0.117665 LDB: Average compute 0.001717 is 1.5% of average load 0.117665 LDB: TIME 8373.14 LOAD: AVG 0.117665 MAX 0.179067 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 8373.15 LOAD: AVG 0.117665 MAX 0.179067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: TIME 8373.15 LOAD: AVG 0.117665 MAX 0.179067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.438 MB LDB: ============== END OF LOAD BALANCING =============== 8373.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8373.15 PRESSURE: 2884400 -83.1543 -71.3561 209.549 -71.3553 49.9937 -39.9214 209.549 -39.9216 69.393 GPRESSURE: 2884400 -42.2998 -42.6437 314.14 -85.6537 60.3983 -59.582 128.575 -129.081 126.375 PRESSAVG: 2884400 -16.2963 -30.5491 -61.5871 -30.549 -10.6056 -5.90805 -61.5871 -5.90793 33.0407 GPRESSAVG: 2884400 -16.9925 -30.9074 -63.0299 -30.4988 -10.9947 -5.42481 -61.419 -5.51867 34.0954 TIMING: 2884400 CPU: 8369.98, 0.0029793/step Wall: 8369.98, 0.0029793/step, 1.75084 hours remaining, 206.390625 MB of memory in use. ENERGY: 2884400 752.8714 2058.1822 1981.3042 127.6785 -206245.4630 17851.4170 0.0000 0.0000 34367.8814 -149106.1283 300.1433 -183474.0098 -149010.3542 299.6844 12.0775 48.1577 557353.1238 2.0463 2.0361 PRESSURE: 2884600 -99.3246 33.7864 -45.0784 33.7867 -86.1682 15.688 -45.0796 15.6872 -245.962 GPRESSURE: 2884600 -86.3043 26.111 -59.7816 -16.4982 -61.7423 -7.07847 -49.3662 -91.3432 -175.467 PRESSAVG: 2884600 -20.9763 -66.0064 18.8787 -66.0063 -22.1533 0.429763 18.8787 0.429867 61.2957 GPRESSAVG: 2884600 -21.2651 -65.2954 19.7129 -66.1359 -20.0386 -1.31292 18.1053 1.24313 59.9175 TIMING: 2884600 CPU: 8370.56, 0.00291061/step Wall: 8370.56, 0.00291061/step, 1.71031 hours remaining, 206.593750 MB of memory in use. ENERGY: 2884600 747.1185 2105.4105 1954.3955 119.5323 -205750.3148 17552.1126 0.0000 0.0000 34088.3271 -149183.4183 297.7018 -183271.7454 -149081.9273 298.9849 -143.8184 -107.8378 557015.9908 6.0554 6.2046 PRESSURE: 2884800 -310.95 -130.808 -111.474 -130.809 383.467 77.174 -111.472 77.1743 -4.94998 GPRESSURE: 2884800 -221.238 -121.701 -101.601 -174.656 307.654 15.7557 -113.934 54.1871 71.8859 PRESSAVG: 2884800 -67.9713 -11.4099 -45.8922 -11.4099 19.355 -8.17584 -45.8922 -8.17563 36.6172 GPRESSAVG: 2884800 -68.6743 -11.61 -48.1877 -10.9407 18.0972 -8.13106 -44.4036 -7.89969 38.4615 TIMING: 2884800 CPU: 8371.14, 0.00292244/step Wall: 8371.14, 0.00292244/step, 1.71709 hours remaining, 206.593750 MB of memory in use. ENERGY: 2884800 704.0219 2091.1497 1972.8582 131.6124 -206219.7079 17807.1042 0.0000 0.0000 34215.7025 -149297.2589 298.8142 -183512.9615 -149201.5479 298.6677 22.5223 52.7672 556940.5111 -3.9997 -4.0385 PRESSURE: 2885000 157.981 -92.3184 -120.356 -92.318 256.837 66.4142 -120.355 66.4141 4.1394 GPRESSURE: 2885000 184.544 58.4714 -112.132 -163.361 303.842 49.1097 -140.344 29.4825 25.487 PRESSAVG: 2885000 -60.8504 -46.4161 -41.8409 -46.416 22.8682 18.2178 -41.8408 18.2179 8.13198 GPRESSAVG: 2885000 -60.2025 -45.765 -39.6425 -48.9607 24.4884 16.1901 -41.4768 19.8224 5.97112 TIMING: 2885000 CPU: 8371.73, 0.00291821/step Wall: 8371.73, 0.00291821/step, 1.71445 hours remaining, 206.851562 MB of memory in use. ENERGY: 2885000 725.8048 2091.8624 1999.5496 108.7220 -206657.7491 18017.2684 0.0000 0.0000 34205.1464 -149509.3956 298.7221 -183714.5419 -149412.8134 298.3929 139.6524 171.2911 556824.9621 -9.9501 -9.9143 PRESSURE: 2885200 -67.1437 65.2918 -63.1842 65.2922 -50.338 -195.572 -63.1847 -195.572 87.3079 GPRESSURE: 2885200 -95.9343 92.8106 -2.00086 106.672 -9.46148 -175.234 -109.059 -86.4917 159.84 PRESSAVG: 2885200 21.9329 -13.0987 -22.6318 -13.0988 -82.3333 14.1475 -22.6318 14.1476 62.208 GPRESSAVG: 2885200 20.5752 -13.486 -23.199 -11.1249 -83.0557 16.9097 -24.669 13.6557 64.6996 TIMING: 2885200 CPU: 8372.31, 0.00291814/step Wall: 8372.31, 0.00291814/step, 1.71424 hours remaining, 206.851562 MB of memory in use. ENERGY: 2885200 740.8060 2139.0015 1972.3498 117.1659 -206732.9345 17945.7038 0.0000 0.0000 34323.2973 -149494.6102 299.7539 -183817.9075 -149406.4628 297.9993 -10.0580 18.1479 558283.6388 0.6025 0.7397 PRESSURE: 2885400 9.72057 110.171 60.346 110.171 -76.1322 -182.678 60.3463 -182.679 -10.2532 GPRESSURE: 2885400 -44.5942 174.61 59.4519 -15.0043 -18.7948 -158.889 36.8422 -169.782 89.6462 PRESSAVG: 2885400 -22.2841 19.4688 -40.0233 19.4688 -27.5382 -19.4346 -40.0234 -19.4346 12.4792 GPRESSAVG: 2885400 -21.2099 17.7269 -38.3266 18.5609 -27.2975 -20.3106 -39.0065 -19.7145 11.2547 TIMING: 2885400 CPU: 8372.89, 0.00290635/step Wall: 8372.89, 0.00290635/step, 1.70716 hours remaining, 207.054688 MB of memory in use. ENERGY: 2885400 746.6072 2090.4188 1964.2631 105.8410 -206091.9496 17623.3937 0.0000 0.0000 34216.1911 -149345.2347 298.8185 -183561.4259 -149245.5244 297.9107 -25.5549 8.7524 557631.4182 -12.4477 -12.4176 PRESSURE: 2885600 210.919 -30.9287 5.13213 -30.9296 299.537 -2.48489 5.13218 -2.48586 -364.899 GPRESSURE: 2885600 240.53 24.9501 14.661 -68.3942 292.878 -139.67 -24.9418 125.78 -282.219 PRESSAVG: 2885600 -34.1563 2.87093 -12.6088 2.87096 54.6961 29.5387 -12.6088 29.5387 6.96632 GPRESSAVG: 2885600 -34.3223 2.95888 -14.7829 4.18195 55.0514 30.0197 -11.5241 27.4084 6.58689 TIMING: 2885600 CPU: 8373.47, 0.00290236/step Wall: 8373.47, 0.00290236/step, 1.70465 hours remaining, 207.054688 MB of memory in use. ENERGY: 2885600 718.5538 2090.7869 1976.9280 116.7547 -206139.5715 17948.1779 0.0000 0.0000 34012.0930 -149276.2773 297.0361 -183288.3702 -149182.5303 298.3397 48.5192 83.7294 557682.3148 9.1687 9.1053 PRESSURE: 2885800 49.9534 173.302 23.5578 173.302 -26.3633 6.73811 23.558 6.73783 210.541 GPRESSURE: 2885800 30.8413 217.637 10.9713 130.691 11.3988 73.26 94.7001 -20.1631 291.405 PRESSAVG: 2885800 -57.8518 -3.33038 -15.9 -3.33035 25.5515 -12.9822 -15.9 -12.9821 15.764 GPRESSAVG: 2885800 -60.0349 -1.9028 -14.2528 -2.11583 25.9916 -13.4956 -16.2863 -11.4602 17.5657 TIMING: 2885800 CPU: 8374.06, 0.00291966/step Wall: 8374.06, 0.00291966/step, 1.71465 hours remaining, 207.054688 MB of memory in use. ENERGY: 2885800 755.0039 2138.2586 1979.2212 103.0929 -206492.5588 17963.7032 0.0000 0.0000 34348.7919 -149204.4871 299.9765 -183553.2790 -149111.4533 298.5999 78.0436 111.2149 555052.1087 -5.5121 -5.4925 PRESSURE: 2886000 -146.773 28.6138 31.6472 28.6136 -74.9981 -4.55726 31.6458 -4.55916 143.772 GPRESSURE: 2886000 -106.96 -29.0664 -2.32975 15.8202 -5.82923 47.8279 -53.7407 -22.4636 141.847 PRESSAVG: 2886000 -62.9517 25.1811 -4.01991 25.1809 16.8604 11.4458 -4.02004 11.4457 83.0765 GPRESSAVG: 2886000 -62.43 25.4701 -6.60645 22.0941 17.3144 11.9432 -3.75949 10.6469 81.5585 TIMING: 2886000 CPU: 8374.64, 0.00292801/step Wall: 8374.64, 0.00292801/step, 1.71939 hours remaining, 207.054688 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: 2886000 739.5126 2085.3962 1970.5227 103.2979 -206100.5966 17635.6283 0.0000 0.0000 34252.7453 -149313.4936 299.1377 -183566.2389 -149223.1026 299.4463 -25.9995 9.6856 556370.5460 12.3284 12.1476 PRESSURE: 2886200 -197.587 -125.893 -33.5094 -125.893 -8.73446 -17.0621 -33.5098 -17.0629 -253.228 GPRESSURE: 2886200 -158.354 -119.845 -29.5764 -67.7797 -7.62068 73.4097 -55.4123 -26.6422 -189.739 PRESSAVG: 2886200 37.5122 2.01826 0.181505 2.01822 23.375 -4.39544 0.181636 -4.3954 -6.82918 GPRESSAVG: 2886200 38.1491 2.74445 1.78443 3.12357 22.3596 -1.93148 -2.68233 -4.77057 -6.89998 TIMING: 2886200 CPU: 8375.22, 0.00289717/step Wall: 8375.22, 0.00289717/step, 1.70112 hours remaining, 207.054688 MB of memory in use. ENERGY: 2886200 749.1662 2049.3128 2002.8059 112.7445 -205654.6766 17499.5908 0.0000 0.0000 33996.0986 -149244.9578 296.8964 -183241.0564 -149147.6200 298.6109 -153.1833 -118.5711 558465.8097 18.0193 17.8696 PRESSURE: 2886400 -19.5538 -70.2647 237.384 -70.2651 -124.317 210.614 237.384 210.617 -187.466 GPRESSURE: 2886400 11.2163 -82.257 173.617 -31.6698 -71.1662 190.041 181.917 194.999 -172.534 PRESSAVG: 2886400 14.5798 -28.2911 18.0569 -28.291 -31.4765 47.5058 18.057 47.506 19.9268 GPRESSAVG: 2886400 14.7486 -30.5979 18.2991 -27.4978 -31.3551 46.0138 19.7882 48.5065 19.7635 TIMING: 2886400 CPU: 8375.8, 0.00290023/step Wall: 8375.8, 0.00290023/step, 1.70276 hours remaining, 207.054688 MB of memory in use. ENERGY: 2886400 767.2629 2147.5860 1984.3072 111.5598 -206074.3028 17628.2831 0.0000 0.0000 34223.0087 -149212.2950 298.8780 -183435.3037 -149122.5010 298.6477 -110.4458 -77.4946 558936.1637 1.0100 1.0524 PRESSURE: 2886600 100.153 -79.1462 -121.258 -79.1466 -144.798 3.73039 -121.258 3.73035 174.091 GPRESSURE: 2886600 161.223 -37.3892 -126.577 -111.944 -91.5123 32.5357 -102.407 42.9922 148.936 PRESSAVG: 2886600 -2.28202 -48.1892 26.4709 -48.1891 -50.1107 -2.51599 26.4708 -2.516 68.8928 GPRESSAVG: 2886600 -1.52368 -46.7554 26.2399 -50.3986 -50.0908 -2.13003 28.2264 -3.19884 68.3844 TIMING: 2886600 CPU: 8376.38, 0.00291994/step Wall: 8376.38, 0.00291994/step, 1.71417 hours remaining, 207.054688 MB of memory in use. ENERGY: 2886600 715.5493 2151.9316 1960.2785 116.3051 -206137.1994 17779.2943 0.0000 0.0000 34041.9877 -149371.8530 297.2971 -183413.8407 -149277.3738 299.0081 43.1487 72.8820 557574.6039 5.5000 5.5900 PRESSURE: 2886800 127.182 -99.1359 -13.594 -99.1364 190.7 36.5088 -13.5941 36.5096 117.195 GPRESSURE: 2886800 179.293 -71.1276 49.5749 -81.6937 183.426 39.6407 -30.182 65.0811 164.793 PRESSAVG: 2886800 69.6917 7.76751 -40.9468 7.76745 -50.5428 -22.8026 -40.9469 -22.8025 -14.2479 GPRESSAVG: 2886800 69.9283 9.20069 -41.356 6.29043 -51.6694 -24.449 -41.4625 -22.5582 -13.4946 TIMING: 2886800 CPU: 8376.97, 0.00292678/step Wall: 8376.97, 0.00292678/step, 1.71802 hours remaining, 207.062500 MB of memory in use. ENERGY: 2886800 748.7487 2077.6379 1986.2433 117.0770 -206793.6406 18151.6180 0.0000 0.0000 34236.2478 -149476.0678 298.9937 -183712.3156 -149380.4250 298.3428 145.0256 175.8374 556928.8358 1.6336 1.5881 PRESSURE: 2887000 -144.896 -84.3695 -77.8216 -84.37 -71.5784 129.405 -77.8219 129.404 -133.952 GPRESSURE: 2887000 -151.442 -122.752 -35.0701 -64.4276 -53.9676 98.9263 -149.692 127.896 -44.19 PRESSAVG: 2887000 6.88986 19.8673 -15.7904 19.8673 9.35801 -10.5503 -15.7903 -10.5502 -16.6815 GPRESSAVG: 2887000 6.57758 17.228 -17.2891 22.7068 9.7965 -12.068 -17.0011 -10.0836 -16.2845 TIMING: 2887000 CPU: 8377.55, 0.00291565/step Wall: 8377.55, 0.00291565/step, 1.71132 hours remaining, 207.062500 MB of memory in use. ENERGY: 2887000 766.6388 2074.4948 1983.5242 110.2114 -206559.5081 17846.7256 0.0000 0.0000 34315.3177 -149462.5955 299.6842 -183777.9132 -149371.3951 298.7433 -116.8087 -83.1998 558278.1587 -0.1446 0.0299 PRESSURE: 2887200 -99.6954 128.727 -66.9869 128.727 37.7332 -58.5032 -66.9867 -58.504 -168.408 GPRESSURE: 2887200 -120.441 122.889 -130.304 131.531 100.76 28.666 -7.03448 -125.871 -124.619 PRESSAVG: 2887200 19.8239 43.3955 11.8749 43.3955 47.9678 -0.497465 11.8749 -0.497526 -46.1264 GPRESSAVG: 2887200 20.9449 42.9247 12.528 45.154 47.972 0.840737 13.484 -1.55698 -47.6564 TIMING: 2887200 CPU: 8378.14, 0.00292229/step Wall: 8378.14, 0.00292229/step, 1.71506 hours remaining, 207.062500 MB of memory in use. ENERGY: 2887200 736.6217 2109.9710 1927.5192 111.2334 -206156.7448 17652.3526 0.0000 0.0000 34341.9838 -149277.0630 299.9171 -183619.0468 -149175.2073 299.5445 -76.7902 -48.1001 558768.3377 7.2218 7.0868 PRESSURE: 2887400 -24.8488 -14.7521 -2.13079 -14.7523 -124.925 -2.58969 -2.13087 -2.58972 -38.8513 GPRESSURE: 2887400 39.68 9.52508 -12.619 -42.7858 -118.79 -34.502 -39.7601 -36.0937 -9.46127 PRESSAVG: 2887400 -26.4957 34.2855 34.8322 34.2856 1.96749 -9.28879 34.8323 -9.28878 42.8173 GPRESSAVG: 2887400 -27.0287 35.9769 34.7421 32.9105 0.697588 -7.40605 33.5072 -8.51629 43.9462 TIMING: 2887400 CPU: 8378.72, 0.00290509/step Wall: 8378.72, 0.00290509/step, 1.70481 hours remaining, 207.062500 MB of memory in use. ENERGY: 2887400 790.0749 2125.1594 1977.4743 109.0756 -206625.8400 17981.4301 0.0000 0.0000 34329.6967 -149312.9290 299.8098 -183642.6258 -149215.2480 298.7396 -62.8751 -29.5236 557489.4240 6.0963 5.8717 PRESSURE: 2887600 34.6988 -118.344 -146.971 -118.344 57.0496 -49.0094 -146.971 -49.0094 168.178 GPRESSURE: 2887600 64.035 -150.263 -129.851 -98.4431 113.576 -90.6168 -172.242 -9.12431 179.86 PRESSAVG: 2887600 56.6933 -43.5729 -23.5746 -43.5728 -45.442 -54.9011 -23.5747 -54.9011 65.608 GPRESSAVG: 2887600 56.38 -43.6235 -24.5365 -45.0752 -44.4812 -56.3125 -22.6736 -54.9729 65.6659 TIMING: 2887600 CPU: 8379.3, 0.00291098/step Wall: 8379.3, 0.00291098/step, 1.7081 hours remaining, 207.062500 MB of memory in use. ENERGY: 2887600 745.8377 2130.7238 1974.0581 120.3300 -206651.2687 18016.5277 0.0000 0.0000 34317.5012 -149346.2901 299.7033 -183663.7913 -149251.6048 299.2112 86.6422 119.1571 557621.8116 25.6198 25.8549 PRESSURE: 2887800 -29.2118 12.9478 -4.20503 12.9494 -161.09 130.343 -4.20435 130.343 -180.422 GPRESSURE: 2887800 -15.2815 129.608 90.7916 33.5088 -117.741 123.827 7.22446 150.192 -143.018 PRESSAVG: 2887800 -28.9309 -57.707 59.5002 -57.7071 56.7673 -8.95614 59.5003 -8.95623 -66.1167 GPRESSAVG: 2887800 -29.474 -58.5395 58.0456 -57.938 57.1098 -9.63231 60.8684 -8.12932 -65.9769 TIMING: 2887800 CPU: 8379.88, 0.00291149/step Wall: 8379.88, 0.00291149/step, 1.70824 hours remaining, 207.062500 MB of memory in use. ENERGY: 2887800 779.9473 2111.3213 1973.3368 112.7477 -206621.4464 17919.1764 0.0000 0.0000 34314.3223 -149410.5947 299.6755 -183724.9169 -149314.4191 299.2585 -123.5746 -92.0136 558628.8985 -12.7601 -12.7803 PRESSURE: 2888000 -89.6175 53.5621 115.833 53.5623 -100.158 13.2237 115.834 13.2235 -12.2968 GPRESSURE: 2888000 -111.913 33.6443 141.346 149.973 -56.269 80.008 103.467 -25.1677 64.7147 PRESSAVG: 2888000 51.1756 -3.11111 -11.9534 -3.11104 -0.346007 -28.6507 -11.9534 -28.6509 -21.8206 GPRESSAVG: 2888000 49.8965 -0.789445 -8.90273 -3.38022 0.663972 -28.1908 -13.2979 -30.6787 -21.6293 TIMING: 2888000 CPU: 8380.47, 0.00291417/step Wall: 8380.47, 0.00291417/step, 1.70965 hours remaining, 207.062500 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: 2888000 797.5718 2058.8808 1981.9179 116.8200 -206711.5010 18002.7219 0.0000 0.0000 34230.2310 -149523.3576 298.9411 -183753.5886 -149431.9397 298.4395 -67.3575 -34.4892 558406.4992 9.6697 9.6437 PRESSURE: 2888200 -80.498 55.8429 -35.7548 55.8435 -235.206 -28.7895 -35.7553 -28.7909 -118.865 GPRESSURE: 2888200 -77.9752 77.8308 -94.7986 135.556 -208.315 4.35431 -5.95719 -34.3317 -42.9764 PRESSAVG: 2888200 -17.1514 -10.7071 -66.1304 -10.7071 -44.1762 19.8527 -66.1304 19.8527 55.5514 GPRESSAVG: 2888200 -16.4466 -13.722 -67.1037 -9.97191 -45.2792 19.4171 -67.1963 20.1863 55.8008 TIMING: 2888200 CPU: 8381.04, 0.00289025/step Wall: 8381.04, 0.00289025/step, 1.69545 hours remaining, 207.062500 MB of memory in use. ENERGY: 2888200 742.7374 2101.8897 1952.0130 111.9271 -206331.4192 17681.5678 0.0000 0.0000 34209.8224 -149531.4619 298.7629 -183741.2843 -149427.3330 298.1741 -144.8564 -109.7555 558276.4919 -1.9254 -1.9750 LDB: ============= START OF LOAD BALANCING ============== 8384.51 LDB: ============== END OF LOAD BALANCING =============== 8384.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8384.51 LDB: ============= START OF LOAD BALANCING ============== 8384.8 LDB: Largest compute 4848 load 0.028700 is 24.4% of average load 0.117716 LDB: Average compute 0.001718 is 1.5% of average load 0.117716 LDB: TIME 8384.81 LOAD: AVG 0.117716 MAX 0.176041 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 8384.81 LOAD: AVG 0.117716 MAX 0.176041 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 8384.81 LOAD: AVG 0.117716 MAX 0.176041 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 8384.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8384.81 PRESSURE: 2888400 -172.466 8.00706 95.3682 8.00635 48.1113 118.042 95.3694 118.043 -78.1901 GPRESSURE: 2888400 -109.219 16.2647 106.814 -30.8311 58.573 53.0097 47.1092 136.113 -59.5834 PRESSAVG: 2888400 38.4527 -21.354 26.4373 -21.3539 -16.9082 41.7138 26.4373 41.7138 -6.5211 GPRESSAVG: 2888400 38.9489 -19.4218 27.5945 -22.4184 -16.7974 41.9815 26.4618 41.7907 -7.23624 TIMING: 2888400 CPU: 8381.64, 0.00296989/step Wall: 8381.64, 0.00296988/step, 1.742 hours remaining, 207.222656 MB of memory in use. ENERGY: 2888400 767.6927 2037.5317 1965.3062 120.3885 -206184.3172 17779.2118 0.0000 0.0000 34168.7739 -149345.4123 298.4044 -183514.1863 -149246.9782 298.0799 -67.5151 -36.7430 556520.1431 5.0078 4.9717 PRESSURE: 2888600 -230.798 -138.552 -71.9087 -138.553 -73.6695 -133.745 -71.9096 -133.743 -82.6431 GPRESSURE: 2888600 -210.629 -163.772 -51.0811 -159.962 -41.1313 -110.022 -98.0282 -50.2294 -37.4265 PRESSAVG: 2888600 -82.2435 3.3374 20.1529 3.3374 -9.89917 -12.8114 20.1529 -12.8113 50.3567 GPRESSAVG: 2888600 -82.6453 2.76154 18.6457 3.4403 -10.6865 -14.349 20.8275 -11.1253 51.4977 TIMING: 2888600 CPU: 8382.22, 0.00290515/step Wall: 8382.22, 0.00290515/step, 1.70387 hours remaining, 207.222656 MB of memory in use. ENERGY: 2888600 767.8903 2095.5088 1979.9362 110.0532 -205925.4776 17582.9328 0.0000 0.0000 34151.1996 -149237.9567 298.2509 -183389.1563 -149143.4847 298.5625 -129.0369 -96.3955 557655.1296 -13.9287 -13.9447 PRESSURE: 2888800 -262.85 90.7965 -175.889 90.7974 -43.893 21.9029 -175.889 21.9024 -292.502 GPRESSURE: 2888800 -229.491 94.8426 -161.466 64.459 -48.4022 1.47285 -117.072 7.65959 -220.271 PRESSAVG: 2888800 -6.34369 -31.5388 32.3028 -31.5388 66.3798 25.0774 32.3029 25.0773 -39.0045 GPRESSAVG: 2888800 -5.38986 -32.1152 34.5524 -29.4591 67.1534 25.7595 30.3316 23.2893 -40.8042 TIMING: 2888800 CPU: 8382.8, 0.002899/step Wall: 8382.8, 0.002899/step, 1.7001 hours remaining, 207.222656 MB of memory in use. ENERGY: 2888800 755.9195 2038.5914 1981.6135 116.6510 -205733.3092 17535.6287 0.0000 0.0000 34350.9099 -148953.9951 299.9950 -183304.9051 -148859.1602 300.0448 -199.7483 -166.0544 557679.0405 7.0105 6.9865 PRESSURE: 2889000 -461.643 -79.6003 -24.0085 -79.6007 125.081 100.257 -24.0086 100.259 -7.24804 GPRESSURE: 2889000 -446.17 -72.1231 12.2174 -29.2827 205.656 94.1098 -31.3919 113.795 -9.50707 PRESSAVG: 2889000 -66.7175 -9.44876 3.44208 -9.44877 -3.42451 7.61353 3.44207 7.61357 29.922 GPRESSAVG: 2889000 -68.3677 -10.8149 4.82158 -9.94463 -3.44634 7.35766 3.08845 9.27089 31.5063 TIMING: 2889000 CPU: 8383.38, 0.0029091/step Wall: 8383.38, 0.0029091/step, 1.70587 hours remaining, 207.222656 MB of memory in use. ENERGY: 2889000 735.8750 2112.8229 2000.7590 110.4521 -205956.5245 17807.0056 0.0000 0.0000 34148.9848 -149040.6250 298.2316 -183189.6098 -148943.8031 299.3048 -114.6034 -83.3403 558492.1315 -13.4067 -13.4359 PRESSURE: 2889200 -5.81712 1.93869 -58.5114 1.93934 -138.92 50.791 -58.5122 50.792 -42.7921 GPRESSURE: 2889200 18.7146 -52.5828 -66.0335 10.9413 -83.0995 91.4129 27.9278 22.7795 -33.3426 PRESSAVG: 2889200 5.23209 -29.2203 4.66004 -29.2203 -18.1712 12.3541 4.65999 12.3541 79.1128 GPRESSAVG: 2889200 7.21649 -27.8378 3.73966 -28.4615 -19.0851 13.1413 5.0535 11.7052 78.5046 TIMING: 2889200 CPU: 8383.97, 0.00292207/step Wall: 8383.97, 0.00292207/step, 1.71331 hours remaining, 207.222656 MB of memory in use. ENERGY: 2889200 747.5673 2054.6776 2005.8311 121.2858 -206261.9718 17815.8734 0.0000 0.0000 34449.7035 -149067.0330 300.8578 -183516.7366 -148963.8504 299.3979 -62.5097 -32.5758 557837.4565 22.0579 22.2120 PRESSURE: 2889400 -21.5566 -0.790306 78.0451 -0.789528 72.7307 122.233 78.0446 122.232 226.136 GPRESSURE: 2889400 69.4054 -107.826 -19.9838 62.5097 94.1022 36.0702 95.8785 270.123 222.179 PRESSAVG: 2889400 36.4114 10.9004 5.05192 10.9004 -37.0896 -7.91571 5.05196 -7.9156 -12.1492 GPRESSAVG: 2889400 35.5531 9.46058 3.763 10.5458 -36.6623 -9.60895 4.77157 -8.28337 -10.9776 TIMING: 2889400 CPU: 8384.55, 0.00291844/step Wall: 8384.55, 0.00291844/step, 1.71101 hours remaining, 207.222656 MB of memory in use. ENERGY: 2889400 745.7798 2094.5174 1989.4631 105.9030 -205983.8909 17744.5061 0.0000 0.0000 34270.5102 -149033.2112 299.2929 -183303.7214 -148937.0902 299.3007 92.4365 128.5622 557219.9991 -4.2758 -4.0289 PRESSURE: 2889600 132.476 140.604 81.6176 140.603 107.726 110.436 81.6192 110.437 -177.122 GPRESSURE: 2889600 55.1551 136.305 130.736 100.928 181.867 108.297 88.7759 104.378 -79.0058 PRESSAVG: 2889600 9.78547 13.8313 7.54118 13.8313 -1.47525 -4.52239 7.54122 -4.52237 24.9093 GPRESSAVG: 2889600 8.77917 13.4171 9.60031 14.5064 -1.20058 -3.44647 7.28633 -2.57708 25.4895 TIMING: 2889600 CPU: 8385.13, 0.00292965/step Wall: 8385.13, 0.00292965/step, 1.71742 hours remaining, 207.425781 MB of memory in use. ENERGY: 2889600 744.0929 2064.9789 1955.6072 112.1595 -206204.4801 17844.9434 0.0000 0.0000 34331.8611 -149150.8371 299.8287 -183482.6982 -149053.5279 299.0170 21.0266 52.6721 558927.8368 11.0732 11.0227 PRESSURE: 2889800 124.448 -18.9918 -76.4292 -18.993 140.188 91.3267 -76.4291 91.3275 -48.3563 GPRESSURE: 2889800 144.993 98.7862 18.0407 -141.775 202.146 45.5858 -75.2844 126.7 -38.6025 PRESSAVG: 2889800 -8.43937 -1.46302 -15.6833 -1.46295 18.8166 26.3069 -15.6833 26.3069 -39.8704 GPRESSAVG: 2889800 -6.99353 -0.0310932 -17.3707 -2.90461 19.5887 26.1535 -14.4316 23.4695 -41.727 TIMING: 2889800 CPU: 8385.73, 0.00295453/step Wall: 8385.73, 0.00295453/step, 1.73185 hours remaining, 207.425781 MB of memory in use. ENERGY: 2889800 741.6667 2017.9058 1975.8772 117.2721 -206317.8330 17969.5853 0.0000 0.0000 34328.5258 -149167.0000 299.7996 -183495.5258 -149068.4712 299.4376 72.0934 102.8457 557196.6080 -9.8311 -9.7106 PRESSURE: 2890000 -124.884 73.0374 52.788 73.0374 -51.9179 79.0632 52.7883 79.0616 249.735 GPRESSURE: 2890000 -98.1252 124.965 76.7548 23.9464 -22.5813 70.7657 -39.2379 -24.4558 275.162 PRESSAVG: 2890000 48.0593 19.0611 32.4486 19.0611 -1.75349 54.9419 32.4486 54.942 -36.7849 GPRESSAVG: 2890000 47.4959 18.0341 33.5382 18.932 -3.03397 56.6582 31.017 54.1301 -35.994 TIMING: 2890000 CPU: 8386.31, 0.0029364/step Wall: 8386.31, 0.0029364/step, 1.72106 hours remaining, 207.425781 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: 2890000 736.3750 2092.6424 1997.4673 112.3827 -205925.4313 17750.9354 0.0000 0.0000 34079.4017 -149156.2269 297.6239 -183235.6286 -149062.4350 299.3973 24.3109 51.4851 556398.7288 3.1736 2.8226 PRESSURE: 2890200 -260.27 -38.7365 -64.0179 -38.7375 -184.477 89.2447 -64.0199 89.2451 -166.517 GPRESSURE: 2890200 -235.234 -66.8524 -65.8447 18.9748 -155.583 106.9 -18.1824 103.056 -122.343 PRESSAVG: 2890200 22.6406 -9.33616 2.44167 -9.33612 -29.9246 5.18576 2.44167 5.1858 59.224 GPRESSAVG: 2890200 23.0679 -6.66616 -0.264421 -9.59498 -29.8774 2.50082 4.64622 9.02755 58.753 TIMING: 2890200 CPU: 8386.9, 0.00291675/step Wall: 8386.9, 0.00291675/step, 1.70938 hours remaining, 207.425781 MB of memory in use. ENERGY: 2890200 738.6020 2064.5514 2007.5575 107.3467 -205772.9142 17282.7092 0.0000 0.0000 34224.8175 -149347.3298 298.8938 -183572.1473 -149254.6213 299.2644 -203.7551 -171.0529 555389.5111 17.3133 17.3145 PRESSURE: 2890400 40.9527 -82.3104 -101.231 -82.3111 -141.259 -52.4384 -101.232 -52.4393 48.6361 GPRESSURE: 2890400 64.5248 -127.736 -142.222 16.0015 -131.475 -25.961 -86.0086 -102.288 120.671 PRESSAVG: 2890400 51.706 -12.5743 17.0377 -12.5743 -56.4489 14.1495 17.0378 14.1494 1.97726 GPRESSAVG: 2890400 50.6791 -13.8042 19.2612 -11.3786 -56.5192 16.5364 17.2929 11.74 2.96371 TIMING: 2890400 CPU: 8387.48, 0.00292582/step Wall: 8387.48, 0.00292582/step, 1.71453 hours remaining, 207.425781 MB of memory in use. ENERGY: 2890400 738.9417 2062.9258 1956.8158 112.9091 -205904.3806 17725.7901 0.0000 0.0000 34096.8976 -149210.1004 297.7767 -183306.9979 -149126.2270 299.0966 -17.2235 17.9070 557676.0950 -0.9219 -0.9588 PRESSURE: 2890600 -117.844 82.8856 -82.4101 82.8856 173.579 -116.608 -82.4102 -116.607 101.972 GPRESSURE: 2890600 -71.3327 92.6056 -112.51 26.5865 174.925 -127.999 -72.3179 -111.105 148.106 PRESSAVG: 2890600 30.8267 -18.8957 43.0236 -18.8957 -35.6944 9.36425 43.0235 9.36439 5.96878 GPRESSAVG: 2890600 29.832 -19.4803 42.7355 -19.4462 -34.6227 9.23109 40.8903 8.57986 5.40462 TIMING: 2890600 CPU: 8388.07, 0.00292951/step Wall: 8388.07, 0.00292951/step, 1.71653 hours remaining, 207.425781 MB of memory in use. ENERGY: 2890600 790.3820 2040.1666 1979.8991 103.7459 -206355.2879 18110.0490 0.0000 0.0000 34271.5899 -149059.4555 299.3023 -183331.0454 -148967.2991 299.6193 52.5689 83.8996 557369.3710 0.3670 0.2047 PRESSURE: 2890800 53.4437 -117.066 -38.637 -117.067 -31.9317 15.3924 -38.638 15.3917 36.9452 GPRESSURE: 2890800 113.856 -151.233 -40.3854 -78.4573 -28.0402 29.4913 5.07991 47.0253 72.4405 PRESSAVG: 2890800 37.9859 -67.5913 -21.9442 -67.5913 -32.1865 -29.543 -21.9442 -29.5429 -19.6027 GPRESSAVG: 2890800 40.0735 -67.4502 -22.8601 -66.593 -33.3874 -29.4942 -20.5579 -29.0684 -19.8939 TIMING: 2890800 CPU: 8388.65, 0.00291763/step Wall: 8388.65, 0.00291763/step, 1.70941 hours remaining, 207.425781 MB of memory in use. ENERGY: 2890800 749.3349 2112.3319 1974.0753 106.1164 -205935.2356 17842.2967 0.0000 0.0000 34297.8360 -148853.2444 299.5315 -183151.0804 -148753.8301 299.8567 19.4857 52.7522 557388.8268 -4.6011 -4.4026 PRESSURE: 2891000 205.328 -21.8967 -56.221 -21.897 266.526 30.871 -56.2219 30.8705 85.1988 GPRESSURE: 2891000 269.753 -22.0696 -122.231 -6.55314 300.934 67.147 -77.4415 63.8568 72.7466 PRESSAVG: 2891000 91.0214 -53.4306 -18.8899 -53.4307 -13.0991 11.8884 -18.8899 11.8883 -67.4154 GPRESSAVG: 2891000 89.5186 -53.1298 -18.6057 -52.3664 -12.9102 10.2696 -17.5401 12.7345 -66.4375 TIMING: 2891000 CPU: 8389.23, 0.00291646/step Wall: 8389.23, 0.00291646/step, 1.70856 hours remaining, 207.425781 MB of memory in use. ENERGY: 2891000 726.1565 2084.1610 1997.9963 117.4463 -206046.8715 18128.3284 0.0000 0.0000 34202.9903 -148789.7929 298.7032 -182992.7831 -148694.2908 300.4324 185.6841 214.4778 557710.9276 3.5023 3.3903 PRESSURE: 2891200 32.2783 -43.2145 -11.3259 -43.2148 38.7934 24.0281 -11.3262 24.0294 -27.9672 GPRESSURE: 2891200 64.3682 -26.0286 -27.3996 -51.2639 73.3844 22.6051 18.2981 -47.248 7.53361 PRESSAVG: 2891200 35.333 -15.6489 -77.0205 -15.6488 0.795508 -25.398 -77.0206 -25.398 5.02728 GPRESSAVG: 2891200 36.3926 -14.8121 -75.9545 -17.1581 1.78396 -25.9596 -77.6048 -25.1642 3.62995 TIMING: 2891200 CPU: 8389.82, 0.0029048/step Wall: 8389.82, 0.0029048/step, 1.70157 hours remaining, 207.425781 MB of memory in use. ENERGY: 2891200 737.7586 2100.3216 1956.4150 113.2048 -205846.7094 17747.0715 0.0000 0.0000 34327.1687 -148864.7692 299.7877 -183191.9379 -148768.6692 300.0042 14.3682 48.4287 558046.2472 13.7186 13.9355 PRESSURE: 2891400 63.7553 -79.4481 31.1985 -79.4494 -90.8919 57.0552 31.1989 57.0555 -262.056 GPRESSURE: 2891400 39.3268 -84.3953 189.666 -80.7544 12.3344 65.0588 53.1533 55.0003 -243.029 PRESSAVG: 2891400 30.9853 17.4646 -21.4743 17.4647 3.96264 23.7864 -21.4743 23.7864 16.5086 GPRESSAVG: 2891400 31.4886 16.6984 -19.9772 18.4141 2.85223 24.1437 -23.4919 24.1868 16.2617 TIMING: 2891400 CPU: 8390.4, 0.0029207/step Wall: 8390.4, 0.0029207/step, 1.71072 hours remaining, 207.425781 MB of memory in use. ENERGY: 2891400 756.1309 2075.4717 1960.8701 110.4625 -205446.4537 17498.7230 0.0000 0.0000 34205.0852 -148839.7103 298.7215 -183044.7955 -148742.1367 299.8062 -96.3975 -63.7892 557953.7132 17.1522 16.8675 PRESSURE: 2891600 242.996 23.5974 11.2045 23.5984 48.4559 -91.1618 11.205 -91.1608 49.8823 GPRESSURE: 2891600 299.929 -38.1241 10.1173 14.6287 48.4751 -92.7596 -18.5358 15.9007 81.6584 PRESSAVG: 2891600 15.7791 61.5478 -20.6173 61.5478 32.7039 -4.59563 -20.6174 -4.59568 -7.97377 GPRESSAVG: 2891600 14.6188 61.0783 -21.5745 61.6335 31.8803 -6.81527 -21.2165 -3.32814 -6.48196 TIMING: 2891600 CPU: 8390.98, 0.00292055/step Wall: 8390.98, 0.00292055/step, 1.71047 hours remaining, 207.425781 MB of memory in use. ENERGY: 2891600 714.9681 2039.0167 1952.1019 117.2077 -206194.5381 17983.2730 0.0000 0.0000 34371.2506 -149016.7201 300.1727 -183387.9707 -148921.9074 300.0448 113.7781 143.3542 557364.7603 13.5031 13.3390 PRESSURE: 2891800 91.892 34.3951 29.3826 34.3963 261.367 26.9597 29.3825 26.9607 -25.6594 GPRESSURE: 2891800 84.8867 21.7169 -36.71 10.3453 269.846 -17.9013 101.035 64.9715 60.3575 PRESSAVG: 2891800 8.47954 28.9148 -23.1045 28.9149 -3.21549 -33.7065 -23.1044 -33.7067 -34.0936 GPRESSAVG: 2891800 8.3864 29.994 -24.3706 29.6622 -2.56189 -32.1957 -21.3165 -34.9824 -34.8025 TIMING: 2891800 CPU: 8391.57, 0.00292563/step Wall: 8391.57, 0.00292563/step, 1.71328 hours remaining, 207.425781 MB of memory in use. ENERGY: 2891800 751.4578 2027.1177 1962.2202 119.3221 -206077.9510 18049.6109 0.0000 0.0000 34231.4658 -148936.7566 298.9519 -183168.2224 -148845.7575 299.0254 109.2000 138.3635 557990.3358 -9.6099 -9.6593 PRESSURE: 2892000 -32.2674 -33.7722 188.751 -33.7735 15.8973 -127.67 188.753 -127.67 -188.325 GPRESSURE: 2892000 71.2677 -15.8009 177.349 -15.882 53.1106 -130.671 98.3146 -34.4026 -224.743 PRESSAVG: 2892000 25.2684 -15.0385 -24.1542 -15.0385 -23.515 -113.221 -24.1543 -113.221 6.0955 GPRESSAVG: 2892000 25.9926 -16.1691 -22.4278 -14.6312 -22.8595 -112.438 -24.609 -112.522 4.32929 TIMING: 2892000 CPU: 8392.16, 0.0029334/step Wall: 8392.16, 0.0029334/step, 1.71767 hours remaining, 207.425781 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: 2892000 757.6485 2066.2705 1957.6149 123.6791 -205915.6195 17723.1377 0.0000 0.0000 34507.1055 -148780.1633 301.3591 -183287.2688 -148688.7039 299.3315 -68.2318 -33.4547 558529.5673 2.6163 2.4875 PRESSURE: 2892200 -275.329 -50.2585 51.8947 -50.2569 -253.41 3.52077 51.8941 3.52058 -265.513 GPRESSURE: 2892200 -216.172 -13.0385 79.0559 5.03401 -242.377 -27.4235 121.787 -12.0387 -244.078 PRESSAVG: 2892200 44.3458 -26.1962 40.0161 -26.1962 -53.049 9.97193 40.0162 9.97191 0.769548 GPRESSAVG: 2892200 43.8857 -23.4649 40.6005 -32.2139 -53.4588 11.022 40.6407 8.14853 2.11961 TIMING: 2892200 CPU: 8392.74, 0.00292336/step Wall: 8392.74, 0.00292336/step, 1.71163 hours remaining, 207.425781 MB of memory in use. ENERGY: 2892200 798.1636 2096.3410 1971.3793 114.2600 -205259.5313 17314.7649 0.0000 0.0000 34320.5978 -148644.0246 299.7303 -182964.6225 -148550.2676 300.1106 -264.7507 -234.2092 558751.0493 -2.6445 -2.4845 LDB: ============= START OF LOAD BALANCING ============== 8396.21 LDB: ============== END OF LOAD BALANCING =============== 8396.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.21 LDB: ============= START OF LOAD BALANCING ============== 8396.5 LDB: Largest compute 4848 load 0.028851 is 24.5% of average load 0.117821 LDB: Average compute 0.001716 is 1.5% of average load 0.117821 LDB: TIME 8396.5 LOAD: AVG 0.117821 MAX 0.181772 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 8396.5 LOAD: AVG 0.117821 MAX 0.181772 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: TIME 8396.5 LOAD: AVG 0.117821 MAX 0.181772 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8396.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8396.51 PRESSURE: 2892400 94.789 156.901 89.8973 156.901 -307.209 98.6369 89.8977 98.6353 -236.057 GPRESSURE: 2892400 68.2617 229.865 24.9315 129.78 -255.899 90.8883 144.595 146.878 -166.205 PRESSAVG: 2892400 69.8836 5.57346 19.4666 5.5735 19.4984 -25.7129 19.4667 -25.7129 -58.7914 GPRESSAVG: 2892400 69.3796 5.2095 18.1795 7.63023 20.3563 -25.8626 18.8094 -25.4725 -58.3634 TIMING: 2892400 CPU: 8393.33, 0.00296811/step Wall: 8393.33, 0.00296811/step, 1.73766 hours remaining, 205.164062 MB of memory in use. ENERGY: 2892400 761.8942 2050.0464 1952.0210 125.3679 -205124.7172 17277.2587 0.0000 0.0000 34372.6045 -148585.5245 300.1845 -182958.1289 -148495.2691 300.5674 -149.4924 -117.9474 558336.4387 10.1968 10.4575 PRESSURE: 2892600 -24.5746 34.7033 143.643 34.7041 -35.2687 -51.6312 143.643 -51.6326 15.7489 GPRESSURE: 2892600 14.5817 111.057 150.396 -56.904 27.4935 -32.823 192.21 5.02155 1.48473 PRESSAVG: 2892600 6.42414 -7.56975 30.1175 -7.56978 22.5075 21.6537 30.1174 21.6536 0.758637 GPRESSAVG: 2892600 7.61897 -7.66378 29.5309 -7.2046 21.7582 21.1909 30.1095 23.4897 0.665958 TIMING: 2892600 CPU: 8393.92, 0.00293242/step Wall: 8393.92, 0.00293242/step, 1.71661 hours remaining, 205.164062 MB of memory in use. ENERGY: 2892600 737.7671 2047.1568 1999.7924 130.4238 -206080.0913 17823.9239 0.0000 0.0000 34508.3405 -148832.6869 301.3699 -183341.0274 -148732.8640 300.0687 -14.6981 14.5200 558735.7930 9.8967 10.0144 PRESSURE: 2892800 -2.85736 118.782 46.4458 118.783 277.07 -84.6676 46.4445 -84.6669 203.575 GPRESSURE: 2892800 9.72597 12.2123 -0.00878722 139.533 316.606 -28.6699 105.009 -114.396 232.859 PRESSAVG: 2892800 19.0932 -1.04701 12.4189 -1.04703 19.9613 -5.50752 12.4189 -5.50768 -23.2834 GPRESSAVG: 2892800 19.7237 -3.37619 13.6469 0.0809909 20.2137 -5.89749 12.6325 -5.92249 -23.9606 TIMING: 2892800 CPU: 8394.5, 0.00291462/step Wall: 8394.5, 0.00291462/step, 1.70603 hours remaining, 205.164062 MB of memory in use. ENERGY: 2892800 724.6332 2065.8377 1986.0770 114.4383 -206012.8913 18031.3360 0.0000 0.0000 34402.0931 -148688.4760 300.4420 -183090.5691 -148586.4648 300.5615 159.2626 186.3971 557379.2625 5.2571 5.3256 PRESSURE: 2893000 34.918 107.781 79.9329 107.781 -2.70084 25.9341 79.9341 25.935 -21.5466 GPRESSURE: 2893000 85.4976 112.696 59.4644 74.6351 1.93551 147.412 20.5419 -18.4403 20.1364 PRESSAVG: 2893000 -74.3122 25.412 69.1787 25.4121 40.8668 31.317 69.1786 31.317 96.2583 GPRESSAVG: 2893000 -75.092 23.0518 69.3514 27.0661 40.3577 32.5237 70.1842 30.6324 97.2073 TIMING: 2893000 CPU: 8395.09, 0.00294526/step Wall: 8395.09, 0.00294526/step, 1.7238 hours remaining, 205.164062 MB of memory in use. ENERGY: 2893000 724.7463 2091.4720 1967.7498 112.7232 -205912.9226 17849.2944 0.0000 0.0000 34396.1267 -148770.8103 300.3899 -183166.9370 -148679.1221 300.4997 3.5568 35.8565 559877.2039 20.9376 20.8243 PRESSURE: 2893200 -103.112 -106.07 49.4683 -106.071 82.2861 -101.407 49.4692 -101.407 37.9253 GPRESSURE: 2893200 -109.936 -26.2914 84.2675 -169.166 172.601 -132.336 159.247 -108.889 63.8392 PRESSAVG: 2893200 -36.3094 -1.53375 -16.5058 -1.53382 40.1802 33.6334 -16.5058 33.6334 36.2864 GPRESSAVG: 2893200 -36.9902 1.28107 -16.4498 -2.72815 41.4216 33.7665 -15.5859 33.2219 35.5094 TIMING: 2893200 CPU: 8395.68, 0.00294787/step Wall: 8395.68, 0.00294787/step, 1.72516 hours remaining, 205.164062 MB of memory in use. ENERGY: 2893200 719.6652 2096.2825 1975.6136 128.6029 -206156.2764 17964.8942 0.0000 0.0000 34482.9269 -148788.2910 301.1480 -183271.2180 -148690.1872 300.3562 5.7000 42.1680 558554.2289 13.3857 13.3136 PRESSURE: 2893400 -12.9445 18.8953 -126.165 18.8953 -40.8632 81.6221 -126.164 81.6236 -187.096 GPRESSURE: 2893400 -0.349099 9.30782 -164.476 43.7561 -11.1361 45.015 -92.9499 60.0633 -144.777 PRESSAVG: 2893400 -16.8265 17.8262 -22.0524 17.8263 127.151 39.4161 -22.0524 39.4161 -58.031 GPRESSAVG: 2893400 -16.1842 18.8153 -19.318 17.4399 126.931 38.7454 -25.51 39.7122 -58.1231 TIMING: 2893400 CPU: 8396.27, 0.00293681/step Wall: 8396.27, 0.00293681/step, 1.71853 hours remaining, 205.164062 MB of memory in use. ENERGY: 2893400 763.9637 2043.2601 1969.6289 113.7690 -205795.7549 17733.2464 0.0000 0.0000 34265.9543 -148905.9326 299.2531 -183171.8869 -148812.0004 300.0460 -80.3013 -52.0875 560067.4851 17.4312 17.5412 PRESSURE: 2893600 29.0728 158.156 -122.246 158.157 49.0483 -29.7993 -122.246 -29.7995 -135.133 GPRESSURE: 2893600 32.0586 123.673 -40.7929 188.286 89.6759 -51.0535 -144.467 -28.1175 -75.3358 PRESSAVG: 2893600 29.29 32.9313 -6.92425 32.9313 39.1715 20.0428 -6.92422 20.0428 -60.0869 GPRESSAVG: 2893600 29.2355 32.4375 -7.25293 32.0353 39.5758 20.7745 -5.66682 19.8146 -59.6922 TIMING: 2893600 CPU: 8396.85, 0.00291586/step Wall: 8396.85, 0.00291586/step, 1.7061 hours remaining, 205.164062 MB of memory in use. ENERGY: 2893600 715.4549 2102.1427 1953.6783 104.8335 -205756.6556 17621.1706 0.0000 0.0000 34462.3402 -148797.0354 300.9682 -183259.3756 -148698.5033 300.1532 -19.0039 15.4662 558594.6145 2.7915 3.0397 PRESSURE: 2893800 18.4968 -72.3834 6.39813 -72.383 27.1051 159.844 6.3985 159.844 201.056 GPRESSURE: 2893800 44.5412 -2.29843 -47.8278 -83.6479 90.896 64.8804 4.6904 228.133 198.158 PRESSAVG: 2893800 53.3515 24.1304 22.8099 24.1304 -37.9685 42.0773 22.8099 42.0773 -2.87784 GPRESSAVG: 2893800 54.2752 22.8298 20.9775 24.7454 -38.8175 41.6001 25.1575 41.9721 -3.40339 TIMING: 2893800 CPU: 8397.44, 0.00294213/step Wall: 8397.44, 0.00294213/step, 1.72131 hours remaining, 205.367188 MB of memory in use. ENERGY: 2893800 770.1394 2107.4932 1993.3544 110.1808 -206138.8065 18060.4387 0.0000 0.0000 34317.8064 -148779.3936 299.7059 -183097.2000 -148679.5727 300.9118 82.2192 111.1985 557690.2826 4.1684 4.0181 PRESSURE: 2894000 -49.2588 -10.3092 70.2337 -10.3081 -218.656 -181.424 70.2338 -181.425 71.6551 GPRESSURE: 2894000 63.4978 -23.0956 115.624 -34.1087 -210.746 -102.603 37.1609 -174.404 45.4283 PRESSAVG: 2894000 -45.2198 8.43008 -3.57759 8.43003 41.7792 26.6686 -3.57764 26.6687 17.0874 GPRESSAVG: 2894000 -45.6078 9.59224 -3.67735 7.57137 40.9311 26.8497 -4.58741 27.916 18.3647 TIMING: 2894000 CPU: 8398.03, 0.00293883/step Wall: 8398.03, 0.00293883/step, 1.71922 hours remaining, 205.367188 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: 2894000 725.3261 2138.9357 1954.4791 115.5208 -205908.3105 17710.6575 0.0000 0.0000 34315.0377 -148948.3536 299.6818 -183263.3913 -148853.5577 299.6312 -65.4198 -33.9398 558956.7462 4.5490 4.5627 PRESSURE: 2894200 180.611 79.7951 81.855 79.7953 -77.0736 105.384 81.8571 105.384 44.7964 GPRESSURE: 2894200 252.79 53.4565 159.96 86.0095 -89.577 162.297 113.965 169.73 87.7198 PRESSAVG: 2894200 26.9325 11.8092 57.6419 11.8092 -30.0474 9.20762 57.642 9.20756 -52.5908 GPRESSAVG: 2894200 26.6626 10.1334 56.7514 12.1219 -29.3868 7.95099 57.6032 9.2488 -53.1308 TIMING: 2894200 CPU: 8398.61, 0.00292396/step Wall: 8398.61, 0.00292396/step, 1.71035 hours remaining, 205.367188 MB of memory in use. ENERGY: 2894200 733.9404 2111.6908 1956.9412 100.8972 -206239.5788 18062.9484 0.0000 0.0000 34321.2360 -148951.9248 299.7359 -183273.1608 -148859.1919 300.2374 49.4447 83.6443 559940.1564 -18.5686 -18.6183 PRESSURE: 2894400 -100.975 -28.2046 181.787 -28.2054 61.2469 8.59023 181.788 8.58954 -33.0834 GPRESSURE: 2894400 -53.1745 -161.339 107.117 4.4789 60.6245 73.0202 181.946 -4.86768 5.40493 PRESSAVG: 2894400 -18.2212 2.75524 -1.9559 2.75528 -9.24658 -7.28222 -1.95594 -7.28226 13.2406 GPRESSAVG: 2894400 -18.8005 0.624971 -1.35617 4.41751 -8.80489 -7.43527 -1.94088 -7.51955 13.2663 TIMING: 2894400 CPU: 8399.2, 0.00292718/step Wall: 8399.2, 0.00292718/step, 1.71207 hours remaining, 205.367188 MB of memory in use. ENERGY: 2894400 746.9535 2156.9572 1972.9548 124.4672 -205883.3387 17826.8778 0.0000 0.0000 34375.8817 -148679.2465 300.2131 -183055.1282 -148588.6377 300.3515 -24.2705 4.2850 560436.2324 -4.7424 -4.7797 PRESSURE: 2894600 30.4083 -31.5295 151.281 -31.5296 346.436 50.0142 151.281 50.0136 96.7013 GPRESSURE: 2894600 43.4037 -28.8863 138.08 -15.2936 445.708 2.76017 75.4167 -12.2844 82.9395 PRESSAVG: 2894600 50.7782 10.4991 6.91537 10.4991 27.732 -22.9313 6.91536 -22.9314 -84.0467 GPRESSAVG: 2894600 49.7225 15.9687 6.83981 7.77662 27.3073 -20.1616 7.01451 -22.6732 -82.5321 TIMING: 2894600 CPU: 8399.79, 0.00295201/step Wall: 8399.79, 0.00295201/step, 1.72643 hours remaining, 205.367188 MB of memory in use. ENERGY: 2894600 726.1667 2119.0704 1989.6877 111.5528 -205843.9783 17885.5898 0.0000 0.0000 34301.3763 -148710.5346 299.5625 -183011.9109 -148606.3575 300.2102 157.8485 190.6838 558812.7542 -1.8455 -1.8341 PRESSURE: 2894800 -131.203 70.6653 -128.415 70.6654 110.654 -26.2964 -128.415 -26.2964 245.48 GPRESSURE: 2894800 -48.3744 100.17 -128.524 152.885 131.939 78.7683 -143.786 -91.5883 223.476 PRESSAVG: 2894800 -14.213 -18.7972 37.1302 -18.7971 35.2351 -89.3387 37.1302 -89.3388 -25.2971 GPRESSAVG: 2894800 -13.0999 -20.1075 36.4128 -18.599 34.2464 -89.9956 35.4669 -89.356 -25.6535 TIMING: 2894800 CPU: 8400.38, 0.00294959/step Wall: 8400.38, 0.00294959/step, 1.72486 hours remaining, 205.367188 MB of memory in use. ENERGY: 2894800 786.2761 2080.0702 1980.9355 124.8442 -206294.0829 17874.8420 0.0000 0.0000 34548.9369 -148898.1779 301.7245 -183447.1148 -148797.9943 300.2384 74.9772 102.3467 557396.2027 -1.4250 -1.5024 PRESSURE: 2895000 -79.0552 64.6572 -19.7228 64.6564 83.4838 113.557 -19.723 113.557 159.845 GPRESSURE: 2895000 -7.52719 28.4644 24.501 112.255 51.1176 76.2494 -90.6414 129.88 210.961 PRESSAVG: 2895000 -14.1898 28.955 -5.22606 28.9551 7.7333 -4.26815 -5.22613 -4.26819 -25.0925 GPRESSAVG: 2895000 -14.3023 28.9522 -5.44244 29.5844 6.87783 -6.6375 -4.89226 -3.24645 -24.3859 TIMING: 2895000 CPU: 8400.96, 0.0029275/step Wall: 8400.96, 0.0029275/step, 1.71178 hours remaining, 205.367188 MB of memory in use. ENERGY: 2895000 706.2782 2146.0787 1960.2071 106.9963 -205871.2275 17692.3698 0.0000 0.0000 34359.3288 -148899.9687 300.0686 -183259.2975 -148803.0304 299.7077 54.7577 84.8504 558735.8944 -10.5163 -10.6035 PRESSURE: 2895200 127.24 -74.5697 -44.2987 -74.5699 342.346 -14.5624 -44.2986 -14.5634 17.9791 GPRESSURE: 2895200 172.976 10.8635 -88.9801 -91.2462 388.985 -84.7532 -93.6051 72.9415 26.9376 PRESSAVG: 2895200 21.3684 -21.9722 -28.9052 -21.9722 -17.1938 -15.6918 -28.9052 -15.6919 51.7028 GPRESSAVG: 2895200 20.7489 -21.7368 -26.6943 -22.9835 -15.6253 -14.0103 -28.5804 -15.7711 50.7024 TIMING: 2895200 CPU: 8401.55, 0.00291061/step Wall: 8401.55, 0.00291061/step, 1.70174 hours remaining, 205.367188 MB of memory in use. ENERGY: 2895200 761.5986 2108.9451 1948.5942 124.5593 -206373.6358 18073.5549 0.0000 0.0000 34543.9747 -148812.4091 301.6811 -183356.3838 -148719.4412 300.1287 162.5215 196.2994 557375.7957 18.6258 18.6087 PRESSURE: 2895400 41.8722 -80.2751 15.5736 -80.275 82.9906 -35.9438 15.5734 -35.9424 251.084 GPRESSURE: 2895400 61.5061 -33.7637 -30.7826 -96.1002 153.255 -6.42887 68.414 -68.2657 256.576 PRESSAVG: 2895400 5.7608 -50.9655 -39.5267 -50.9655 0.826237 -10.4724 -39.5267 -10.4724 14.3699 GPRESSAVG: 2895400 5.96076 -54.1836 -40.8476 -47.9731 0.554638 -11.0312 -39.0982 -10.9323 14.1436 TIMING: 2895400 CPU: 8402.13, 0.0029139/step Wall: 8402.13, 0.0029139/step, 1.7035 hours remaining, 205.367188 MB of memory in use. ENERGY: 2895400 716.8964 2093.1069 1976.7166 116.7425 -205707.0464 17629.4345 0.0000 0.0000 34400.7374 -148773.4121 300.4302 -183174.1495 -148678.6893 300.2466 125.3157 157.1122 555962.6605 6.9856 6.8863 PRESSURE: 2895600 -370.156 42.3852 -4.17436 42.386 -18.2641 -126.78 -4.17377 -126.78 -207.546 GPRESSURE: 2895600 -349.294 73.3293 -35.9445 34.9398 87.476 -118.237 -13.3257 -141.051 -232.651 PRESSAVG: 2895600 -16.55 22.9195 0.846856 22.9195 48.5422 -64.9241 0.846816 -64.924 -18.7537 GPRESSAVG: 2895600 -17.0642 25.425 1.54237 21.8947 48.2107 -66.3088 -0.804161 -63.4633 -17.1525 TIMING: 2895600 CPU: 8402.71, 0.00292304/step Wall: 8402.71, 0.00292304/step, 1.70868 hours remaining, 205.367188 MB of memory in use. ENERGY: 2895600 733.3109 2101.9561 1965.8418 118.5954 -205317.9824 17244.9936 0.0000 0.0000 34371.4066 -148781.8781 300.1740 -183153.2847 -148686.5147 300.2479 -198.6552 -164.8229 557275.9459 4.4128 4.6647 PRESSURE: 2895800 -5.28771 65.3003 -138.113 65.2992 -42.1809 -25.3595 -138.114 -25.3588 -189.073 GPRESSURE: 2895800 22.6914 111.08 -134.121 62.9983 -1.73422 85.5353 -110.963 -43.8765 -151.746 PRESSAVG: 2895800 -55.8536 39.8599 -57.1575 39.8599 68.8075 -0.14371 -57.1575 -0.143691 -33.6621 GPRESSAVG: 2895800 -56.0269 38.9611 -58.9106 40.6896 70.7876 2.11273 -56.3512 -2.87501 -35.3346 TIMING: 2895800 CPU: 8403.3, 0.00291153/step Wall: 8403.3, 0.00291153/step, 1.70179 hours remaining, 205.367188 MB of memory in use. ENERGY: 2895800 740.3518 2070.8639 2003.6989 115.2593 -205862.8178 17742.8272 0.0000 0.0000 34468.2940 -148721.5227 301.0202 -183189.8167 -148617.0451 300.3131 -78.8472 -43.5963 558482.6742 -6.9027 -6.8580 PRESSURE: 2896000 -149.218 -122.847 48.2235 -122.848 -140.868 66.5704 48.2236 66.5702 39.4132 GPRESSURE: 2896000 -120.681 -147.331 -83.3577 -75.0633 -76.019 70.7418 124.569 13.7758 37.0018 PRESSAVG: 2896000 -13.394 -9.11682 -26.8042 -9.1169 37.8243 -91.2613 -26.8042 -91.2612 0.29616 GPRESSAVG: 2896000 -11.7861 -9.66099 -27.5526 -9.38959 36.4241 -92.0915 -24.684 -90.4255 0.493677 TIMING: 2896000 CPU: 8403.88, 0.00290822/step Wall: 8403.88, 0.00290822/step, 1.69969 hours remaining, 205.367188 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: 2896000 722.8536 2111.6868 1974.8756 112.5055 -205950.4311 17753.6387 0.0000 0.0000 34433.1200 -148841.7509 300.7130 -183274.8709 -148742.6516 300.5164 -83.5578 -53.2329 558472.8279 8.2421 8.3772 PRESSURE: 2896200 77.0607 -116.257 -105.549 -116.256 187.766 -64.9933 -105.549 -64.9942 -77.4509 GPRESSURE: 2896200 139.271 -118.696 -111.001 -105.331 171.953 -75.7824 -115.401 -75.9875 -23.5752 PRESSAVG: 2896200 -42.9611 8.65125 14.4635 8.65125 38.5101 -37.9206 14.4635 -37.9206 19.1375 GPRESSAVG: 2896200 -44.116 9.00107 16.0291 7.4572 38.6183 -37.5565 12.4134 -36.3888 20.3708 TIMING: 2896200 CPU: 8404.46, 0.00289767/step Wall: 8404.46, 0.00289767/step, 1.69336 hours remaining, 205.367188 MB of memory in use. ENERGY: 2896200 712.8996 2158.9680 1967.3038 107.8764 -205986.7269 17788.5061 0.0000 0.0000 34396.5252 -148854.6478 300.3934 -183251.1730 -148751.0066 300.1163 62.4586 95.8828 557265.1181 4.8955 4.9577 LDB: ============= START OF LOAD BALANCING ============== 8407.93 LDB: ============== END OF LOAD BALANCING =============== 8407.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8407.93 LDB: ============= START OF LOAD BALANCING ============== 8408.22 LDB: Largest compute 4821 load 0.028323 is 24.1% of average load 0.117734 LDB: Average compute 0.001713 is 1.5% of average load 0.117734 LDB: TIME 8408.22 LOAD: AVG 0.117734 MAX 0.178808 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.961 MB LDB: TIME 8408.22 LOAD: AVG 0.117734 MAX 0.178808 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: TIME 8408.22 LOAD: AVG 0.117734 MAX 0.178808 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.094 MB LDB: ============== END OF LOAD BALANCING =============== 8408.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8408.23 PRESSURE: 2896400 -259.822 33.6318 -106.579 33.6313 -214.318 86.6952 -106.578 86.6949 4.73749 GPRESSURE: 2896400 -198.615 13.5069 -225.699 66.4551 -192.779 159.088 -74.9631 56.2863 18.7519 PRESSAVG: 2896400 34.9566 28.6922 -2.00631 28.6921 12.3124 40.0156 -2.00637 40.0157 -12.2443 GPRESSAVG: 2896400 34.8258 30.8778 -1.89843 27.4984 12.5087 39.7704 -1.22238 39.9703 -12.7139 TIMING: 2896400 CPU: 8405.05, 0.00298384/step Wall: 8405.05, 0.00298384/step, 1.74356 hours remaining, 205.425781 MB of memory in use. ENERGY: 2896400 760.7642 2129.0169 1984.5552 112.5446 -205766.1847 17544.3340 0.0000 0.0000 34532.0685 -148702.9014 301.5771 -183234.9698 -148600.5195 300.5961 -156.4676 -124.2139 557752.4564 11.6749 11.5402 PRESSURE: 2896600 152.914 -64.7514 -64.0639 -64.7518 -141.412 85.4107 -64.0646 85.4094 39.5655 GPRESSURE: 2896600 197.866 -63.5453 -12.6221 -57.5818 -107.715 71.7051 -92.7906 180.137 54.2074 PRESSAVG: 2896600 -20.3315 1.14611 -4.63131 1.14619 -10.1285 87.8637 -4.63129 87.8637 23.43 GPRESSAVG: 2896600 -19.188 -0.91941 -4.24222 2.11993 -10.8267 88.0873 -4.97069 87.8084 22.9908 TIMING: 2896600 CPU: 8405.63, 0.00290154/step Wall: 8405.63, 0.00290154/step, 1.6953 hours remaining, 205.625000 MB of memory in use. ENERGY: 2896600 755.9022 2094.4696 2003.7748 113.1820 -205903.3012 17737.7306 0.0000 0.0000 34254.8312 -148943.4109 299.1560 -183198.2421 -148844.1813 300.5281 17.0224 48.1197 558231.4689 -2.3433 -2.3413 PRESSURE: 2896800 15.7317 1.32012 -101.947 1.32071 -85.4456 45.7692 -101.948 45.77 -18.4562 GPRESSURE: 2896800 73.445 48.367 -255.806 15.9523 -91.8549 66.4049 -2.78328 -56.9961 29.0613 PRESSAVG: 2896800 43.5578 -32.8254 13.802 -32.8254 -21.6457 -13.0442 13.802 -13.0442 -13.9249 GPRESSAVG: 2896800 43.4879 -30.9389 12.9727 -32.4829 -21.0965 -13.347 12.7129 -13.2612 -14.0205 TIMING: 2896800 CPU: 8406.21, 0.00288771/step Wall: 8406.21, 0.00288771/step, 1.68707 hours remaining, 205.625000 MB of memory in use. ENERGY: 2896800 760.0349 2118.7810 1954.5761 109.7541 -205993.7624 17785.3216 0.0000 0.0000 34367.4385 -148897.8561 300.1394 -183265.2947 -148801.8669 300.1481 -29.3900 3.5505 557769.0325 2.6624 2.7903 PRESSURE: 2897000 -12.1505 23.6031 30.7758 23.6036 29.1675 10.386 30.7762 10.3829 212.459 GPRESSURE: 2897000 -26.013 73.2304 83.6151 3.73826 56.7342 -43.2108 55.5205 31.4443 285.752 PRESSAVG: 2897000 29.5557 11.095 -16.6181 11.0949 -61.3636 -20.4297 -16.618 -20.4298 30.0733 GPRESSAVG: 2897000 29.5499 9.65973 -15.688 12.7685 -61.0675 -20.7571 -16.264 -22.2499 29.7428 TIMING: 2897000 CPU: 8406.79, 0.00288254/step Wall: 8406.79, 0.00288254/step, 1.68389 hours remaining, 205.625000 MB of memory in use. ENERGY: 2897000 736.7690 2141.6602 1970.5643 109.2573 -206305.4449 17915.3222 0.0000 0.0000 34380.0046 -149051.8673 300.2491 -183431.8719 -148956.7032 299.4365 76.4921 105.4912 557274.5736 -0.5782 -0.5916 PRESSURE: 2897200 -260.686 -71.6434 -49.4261 -71.6444 17.9678 259.109 -49.4256 259.106 103.14 GPRESSURE: 2897200 -164.318 -124.567 -76.5734 -100.073 57.873 315.767 -32.0105 258.432 70.7659 PRESSAVG: 2897200 -8.0931 9.63923 -22.4151 9.63931 -2.19711 40.6082 -22.4151 40.6084 8.10038 GPRESSAVG: 2897200 -8.88136 8.65114 -23.2628 7.17488 -2.32113 40.7555 -24.3805 42.1707 8.32825 TIMING: 2897200 CPU: 8407.37, 0.00290743/step Wall: 8407.37, 0.00290743/step, 1.69826 hours remaining, 205.625000 MB of memory in use. ENERGY: 2897200 783.4553 2084.2556 1943.1787 115.7477 -205951.7708 17860.0420 0.0000 0.0000 34006.9174 -149158.1740 296.9909 -183165.0914 -149061.4606 299.4507 -46.5258 -11.8931 557208.5754 -0.7299 -0.9581 PRESSURE: 2897400 -147.526 29.6566 -68.9899 29.6568 -57.0042 -129.01 -68.9902 -129.012 -92.8808 GPRESSURE: 2897400 -151.639 -8.95903 -8.76164 78.8638 -40.1027 -174.983 -150.13 -168.498 -15.2065 PRESSAVG: 2897400 35.4136 -13.238 -42.5187 -13.2381 -31.7289 -20.5949 -42.5187 -20.5949 -4.018 GPRESSAVG: 2897400 35.8511 -12.3519 -41.9355 -13.2227 -33.4847 -21.0421 -39.285 -20.5781 -3.32751 TIMING: 2897400 CPU: 8407.95, 0.00288205/step Wall: 8407.95, 0.00288205/step, 1.68328 hours remaining, 205.625000 MB of memory in use. ENERGY: 2897400 793.0956 2060.4378 1974.4344 105.8178 -205940.6052 17689.3222 0.0000 0.0000 34193.5614 -149123.9360 298.6209 -183317.4974 -149023.8515 299.1041 -99.1369 -68.9828 557879.1780 -0.1111 -0.3204 PRESSURE: 2897600 112.515 106.464 -114.935 106.462 -76.354 -56.07 -114.935 -56.0687 -77.471 GPRESSURE: 2897600 174.593 112.494 -57.4822 99.4781 -91.233 -56.7874 -59.999 -141.264 -31.8985 PRESSAVG: 2897600 -15.4679 -19.4297 -61.1317 -19.4296 -23.0417 -39.6114 -61.1316 -39.6114 28.5813 GPRESSAVG: 2897600 -15.759 -17.4995 -61.1311 -18.114 -21.1001 -38.1816 -62.2695 -41.0588 26.995 TIMING: 2897600 CPU: 8408.52, 0.00288373/step Wall: 8408.52, 0.00288373/step, 1.6841 hours remaining, 205.625000 MB of memory in use. ENERGY: 2897600 731.5106 2070.4890 1990.0108 123.7463 -205928.6804 17569.7936 0.0000 0.0000 34459.4113 -148983.7188 300.9426 -183443.1300 -148879.6885 299.5349 -13.7699 17.1538 555807.0927 -3.3095 -3.2880 PRESSURE: 2897800 -203.517 153.004 71.5214 153.004 215.368 -51.2867 71.5226 -51.287 -305.54 GPRESSURE: 2897800 -145.461 113.534 61.3393 151.69 198.089 -120.25 151.949 -78.6679 -236.159 PRESSAVG: 2897800 1.31938 16.1392 -0.871593 16.1392 31.1344 33.9389 -0.871596 33.939 -49.1731 GPRESSAVG: 2897800 0.629407 14.0994 -0.326545 15.6983 29.8249 31.8334 -0.581472 34.7584 -47.3827 TIMING: 2897800 CPU: 8409.1, 0.00290852/step Wall: 8409.1, 0.00290852/step, 1.69841 hours remaining, 205.625000 MB of memory in use. ENERGY: 2897800 721.9762 2096.8355 1959.2375 124.4263 -205910.8821 17632.6609 0.0000 0.0000 34374.2444 -149001.5013 300.1988 -183375.7457 -148907.1050 299.2941 -97.8963 -61.1769 558292.6184 -5.5731 -5.6428 PRESSURE: 2898000 58.6835 6.68106 175.521 6.68121 50.8361 -90.535 175.521 -90.5333 -373.109 GPRESSURE: 2898000 94.2355 -82.6817 126.846 1.17608 82.2837 -63.9898 241.288 -74.7495 -352.574 PRESSAVG: 2898000 -13.3261 40.7642 27.2761 40.7642 23.0661 -103.872 27.2761 -103.872 -35.3837 GPRESSAVG: 2898000 -13.4644 40.8949 23.7144 39.0122 23.8408 -102.598 28.7568 -103.412 -36.2732 TIMING: 2898000 CPU: 8409.68, 0.00289829/step Wall: 8409.68, 0.00289829/step, 1.69228 hours remaining, 205.625000 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: 2898000 779.6845 2120.1736 1967.5075 114.0672 -206095.7893 17819.1361 0.0000 0.0000 34482.5797 -148812.6409 301.1449 -183295.2205 -148714.6181 299.8832 -87.8632 -58.6851 558731.7087 -8.5479 -8.6323 PRESSURE: 2898200 169.077 163.822 110.576 163.823 245.849 79.1588 110.576 79.1563 105.801 GPRESSURE: 2898200 237.015 141.39 50.8162 192.491 316.014 149.405 169.666 77.4149 71.1247 PRESSAVG: 2898200 22.4431 65.5935 -12.5256 65.5935 6.15745 13.653 -12.5256 13.6531 -14.5916 GPRESSAVG: 2898200 22.7401 66.6031 -10.7143 67.0483 6.61086 13.7519 -14.2485 14.0248 -15.1402 TIMING: 2898200 CPU: 8410.26, 0.00289896/step Wall: 8410.26, 0.00289896/step, 1.69251 hours remaining, 205.625000 MB of memory in use. ENERGY: 2898200 733.6254 2060.1821 1994.8039 106.3229 -205986.1314 17962.3850 0.0000 0.0000 34217.7263 -148911.0857 298.8319 -183128.8120 -148824.5853 300.4252 173.5756 208.0512 558015.4377 4.6696 4.7369 PRESSURE: 2898400 159.226 88.427 33.3286 88.4273 196.904 15.4081 33.3293 15.409 -61.757 GPRESSURE: 2898400 234.973 89.3835 -12.6866 80.6925 193.939 23.5883 70.6054 -4.20936 -41.8412 PRESSAVG: 2898400 36.4851 -18.9618 12.5051 -18.9617 36.4151 0.0549176 12.505 0.0550101 -31.1835 GPRESSAVG: 2898400 37.2507 -20.1047 13.1652 -17.7653 35.6362 -0.84808 12.4483 -0.38101 -30.7401 TIMING: 2898400 CPU: 8410.84, 0.00289427/step Wall: 8410.84, 0.00289427/step, 1.68961 hours remaining, 205.625000 MB of memory in use. ENERGY: 2898400 749.3646 2064.6365 1964.0246 111.3806 -206265.6251 17999.7413 0.0000 0.0000 34377.7740 -148998.7035 300.2297 -183376.4775 -148906.8644 299.3582 98.1244 129.0235 558837.1907 13.9056 14.0489 PRESSURE: 2898600 -84.1567 76.3454 4.13188 76.3468 -155.434 28.3221 4.13114 28.3227 -85.314 GPRESSURE: 2898600 -44.8184 183.432 23.4399 8.86198 -111.312 -32.7585 32.7136 29.8927 -66.4247 PRESSAVG: 2898600 -9.03473 12.0392 -31.4325 12.0391 55.6033 -7.98889 -31.4325 -7.98883 -38.7864 GPRESSAVG: 2898600 -9.1967 12.9182 -32.0562 10.2858 55.5521 -9.10313 -29.4581 -7.70303 -38.5837 TIMING: 2898600 CPU: 8411.42, 0.00290509/step Wall: 8411.42, 0.00290509/step, 1.69576 hours remaining, 205.625000 MB of memory in use. ENERGY: 2898600 746.6623 2086.4088 1973.6505 101.1161 -205874.9450 17697.6284 0.0000 0.0000 34210.8328 -149058.6460 298.7717 -183269.4789 -148956.2951 299.4077 -108.3014 -74.1850 559184.0087 2.5941 2.5906 PRESSURE: 2898800 241.873 -151.166 -164.662 -151.166 22.794 -35.5678 -164.662 -35.5673 -156.519 GPRESSURE: 2898800 222.441 -104.381 -211.479 -127.905 58.1077 10.7401 -153.659 -84.858 -71.6536 PRESSAVG: 2898800 -19.5368 50.144 0.178143 50.144 21.3082 59.7243 0.178203 59.7244 -5.98466 GPRESSAVG: 2898800 -20.3754 49.5709 2.02511 50.0628 21.4186 62.3465 -1.32945 58.5885 -5.03056 TIMING: 2898800 CPU: 8412, 0.00289447/step Wall: 8412, 0.00289447/step, 1.68941 hours remaining, 205.625000 MB of memory in use. ENERGY: 2898800 732.8971 2074.6130 1969.5031 112.8699 -205791.5650 17686.0744 0.0000 0.0000 34288.3392 -148927.2683 299.4486 -183215.6075 -148830.1275 299.5120 36.0492 69.6317 556455.7844 -1.4044 -1.3291 PRESSURE: 2899000 29.7263 55.1118 22.2313 55.1125 -18.7694 -162.923 22.2306 -162.924 -61.6448 GPRESSURE: 2899000 18.4068 93.8037 75.1074 -37.5337 61.3647 -189.935 -61.9545 -103.304 -33.941 PRESSAVG: 2899000 -23.7151 50.3047 17.6188 50.3047 38.1651 15.0712 17.6188 15.0712 -2.38585 GPRESSAVG: 2899000 -23.4406 51.3346 15.676 48.3622 38.2221 13.7033 17.1589 16.2742 -2.40646 TIMING: 2899000 CPU: 8412.58, 0.00290817/step Wall: 8412.58, 0.00290817/step, 1.69724 hours remaining, 205.625000 MB of memory in use. ENERGY: 2899000 727.8776 2120.7390 1935.6912 112.9829 -205747.2134 17650.8494 0.0000 0.0000 34330.7275 -148868.3457 299.8188 -183199.0733 -148768.1342 300.0391 -16.8960 15.2768 556263.4205 4.0214 4.1250 PRESSURE: 2899200 -319.735 86.9114 204.134 86.9111 -377.022 75.712 204.132 75.7121 -341.742 GPRESSURE: 2899200 -270.372 58.055 205.047 92.2558 -331.112 17.1912 216.501 104.418 -328.844 PRESSAVG: 2899200 -12.279 14.4402 61.8969 14.4402 -8.11419 48.3896 61.8967 48.3896 2.91874 GPRESSAVG: 2899200 -11.3658 13.4382 63.376 16.6016 -8.70374 49.3924 62.0453 46.3585 3.19237 TIMING: 2899200 CPU: 8413.17, 0.00294132/step Wall: 8413.17, 0.00294132/step, 1.71643 hours remaining, 205.625000 MB of memory in use. ENERGY: 2899200 740.1959 2082.9875 1965.8663 122.7451 -205348.7435 17286.5002 0.0000 0.0000 34287.0534 -148863.3952 299.4374 -183150.4485 -148764.6939 300.6896 -346.1665 -310.1092 557937.6923 -5.8248 -5.6257 PRESSURE: 2899400 -40.2684 -0.194708 124.518 -0.194085 -108.528 -5.87853 124.517 -5.87802 129.244 GPRESSURE: 2899400 18.8581 -17.2269 93.8738 -19.5049 -109.895 -58.7893 107.973 -84.1799 167.567 PRESSAVG: 2899400 34.7056 -17.2899 12.8988 -17.29 -4.6525 17.965 12.8988 17.965 -32.5313 GPRESSAVG: 2899400 34.3736 -17.089 12.8221 -15.4283 -4.20254 17.9823 12.7588 19.2064 -33.1328 TIMING: 2899400 CPU: 8413.76, 0.0029282/step Wall: 8413.76, 0.0029282/step, 1.70861 hours remaining, 205.625000 MB of memory in use. ENERGY: 2899400 786.2053 2100.6817 1969.5098 122.6253 -205768.7298 17735.7261 0.0000 0.0000 34244.3420 -148809.6395 299.0644 -183053.9815 -148716.2935 300.6164 -6.5174 25.5100 557335.8848 -0.8261 -0.9872 PRESSURE: 2899600 -43.7703 47.4579 94.3412 47.4582 -260.034 98.2964 94.3412 98.2949 -22.3132 GPRESSURE: 2899600 16.7954 37.5948 32.9406 11.9624 -242.584 52.7218 93.1958 168.411 -0.600538 PRESSAVG: 2899600 -74.5695 -17.5805 -6.12965 -17.5805 38.4327 -14.8091 -6.12972 -14.8092 23.329 GPRESSAVG: 2899600 -73.5705 -18.7065 -7.06802 -16.439 38.5458 -14.8644 -4.93391 -14.0589 22.9525 TIMING: 2899600 CPU: 8414.34, 0.00290043/step Wall: 8414.34, 0.00290043/step, 1.69224 hours remaining, 205.625000 MB of memory in use. ENERGY: 2899600 758.8066 2075.2518 1956.3144 121.8161 -205638.7127 17396.6197 0.0000 0.0000 34507.8334 -148822.0707 301.3655 -183329.9041 -148730.1177 300.5624 -108.7060 -75.4632 556635.1911 -4.2693 -4.0241 PRESSURE: 2899800 -100.697 -15.2727 74.1166 -15.2722 -112.971 66.7142 74.1171 66.7134 -225.87 GPRESSURE: 2899800 -114.766 -29.6484 5.0262 11.1662 -79.4 21.5357 82.8712 142.866 -157.376 PRESSAVG: 2899800 -33.9759 -33.2207 3.466 -33.2207 27.4317 -22.2301 3.46594 -22.2301 33.6319 GPRESSAVG: 2899800 -34.344 -35.2679 2.71139 -33.8067 27.4723 -22.1819 3.41332 -21.021 33.8033 TIMING: 2899800 CPU: 8414.92, 0.00292541/step Wall: 8414.92, 0.00292541/step, 1.70665 hours remaining, 205.625000 MB of memory in use. ENERGY: 2899800 779.4673 2169.2164 1979.3918 105.5594 -205500.2665 17480.4329 0.0000 0.0000 34207.2807 -148778.9180 298.7407 -182986.1987 -148682.1429 300.5465 -146.5127 -117.1808 557284.2702 9.0292 8.9772 PRESSURE: 2900000 -207.717 -103.065 -183.483 -103.064 -158 127.403 -183.484 127.401 -186.44 GPRESSURE: 2900000 -141.915 -128.679 -165.706 -102.927 -139.727 82.9611 -90.2503 103.723 -177.266 PRESSAVG: 2900000 -18.8731 -29.9317 -5.70286 -29.9318 28.2012 55.3212 -5.70287 55.3213 0.0516738 GPRESSAVG: 2900000 -20.7702 -28.5966 -4.78515 -30.8112 28.5057 56.1851 -5.60243 51.7954 1.64893 TIMING: 2900000 CPU: 8415.51, 0.00293299/step Wall: 8415.51, 0.002933/step, 1.71091 hours remaining, 205.625000 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: 2900000 747.8727 2126.6771 1945.4603 120.9949 -205281.4358 17264.0952 0.0000 0.0000 34443.7530 -148632.5825 300.8059 -183076.3355 -148530.0747 300.6807 -184.0522 -152.9694 557880.6435 3.1266 3.1281 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 -243.203 -79.4033 -11.4987 -79.4041 -191.077 42.5116 -11.4993 42.5104 -14.1404 GPRESSURE: 2900200 -153.748 -6.40338 8.03378 -151.93 -164.785 41.6607 -76.4875 45.6509 -46.0217 PRESSAVG: 2900200 34.3813 -46.1651 -7.79981 -46.165 17.7486 15.5944 -7.7997 15.5944 -46.8542 GPRESSAVG: 2900200 35.5705 -43.7459 -8.0682 -45.8949 17.2477 14.4132 -9.12235 18.6075 -48.262 TIMING: 2900200 CPU: 8416.11, 0.00298089/step Wall: 8416.11, 0.00298089/step, 1.73869 hours remaining, 205.625000 MB of memory in use. ENERGY: 2900200 762.5222 2063.5946 1981.2284 114.1039 -205678.6389 17449.5053 0.0000 0.0000 34382.6589 -148925.0256 300.2723 -183307.6845 -148822.2074 301.0257 -149.4733 -121.5183 557478.3750 1.7586 1.5187 LDB: ============= START OF LOAD BALANCING ============== 8419.57 LDB: ============== END OF LOAD BALANCING =============== 8419.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8419.58 LDB: ============= START OF LOAD BALANCING ============== 8419.87 LDB: Largest compute 4820 load 0.029613 is 25.1% of average load 0.117777 LDB: Average compute 0.001722 is 1.5% of average load 0.117777 LDB: TIME 8419.87 LOAD: AVG 0.117777 MAX 0.178222 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.676 MB LDB: TIME 8419.87 LOAD: AVG 0.117777 MAX 0.178222 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.75 MB LDB: TIME 8419.87 LOAD: AVG 0.117777 MAX 0.178222 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.75 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8419.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8419.88 PRESSURE: 2900400 -22.0307 -75.3608 -0.652274 -75.3616 -59.9079 60.7101 -0.653732 60.7099 -77.441 GPRESSURE: 2900400 11.2892 -36.7247 -4.3741 -63.9111 -31.6314 60.0539 60.6755 138.119 -48.4044 PRESSAVG: 2900400 -5.27671 16.4076 7.29274 16.4076 -41.9067 -59.6789 7.29268 -59.6789 42.4177 GPRESSAVG: 2900400 -5.43768 15.0448 9.22251 14.7345 -41.4276 -58.4305 8.61706 -61.5404 42.1426 TIMING: 2900400 CPU: 8416.7, 0.00299062/step Wall: 8416.7, 0.00299062/step, 1.7442 hours remaining, 207.300781 MB of memory in use. ENERGY: 2900400 726.4681 2140.7238 1968.3732 114.2455 -205863.3652 17502.0264 0.0000 0.0000 34309.1328 -149102.3955 299.6302 -183411.5283 -149008.9809 300.2600 -53.1265 -22.9155 557970.1540 -1.5886 -1.5742 PRESSURE: 2900600 -86.6616 36.6813 -169.065 36.683 -54.4992 -0.635792 -169.065 -0.636741 -300.617 GPRESSURE: 2900600 -18.0053 166.67 -200.37 36.3424 -57.7629 61.68 -100.319 -16.5002 -275.011 PRESSAVG: 2900600 -3.12575 -7.40248 -10.5849 -7.40258 -78.8143 32.6799 -10.5849 32.6798 64.0387 GPRESSAVG: 2900600 -4.6219 -7.88964 -12.2583 -6.60436 -78.7639 30.9759 -10.2144 33.6879 65.19 TIMING: 2900600 CPU: 8417.29, 0.00292297/step Wall: 8417.29, 0.00292297/step, 1.70458 hours remaining, 207.371094 MB of memory in use. ENERGY: 2900600 730.2037 2010.1700 1956.9633 113.1140 -206026.1645 17597.4411 0.0000 0.0000 34649.0382 -148969.2343 302.5987 -183618.2725 -148867.3203 299.3909 -147.2594 -116.9264 558375.5930 -5.9671 -6.0653 PRESSURE: 2900800 -146.982 9.06531 -185.921 9.06271 108.475 69.5218 -185.92 69.5219 239.322 GPRESSURE: 2900800 -74.825 26.8488 -173.046 48.0764 136.254 81.5736 -206.566 -31.0721 242.607 PRESSAVG: 2900800 9.46709 1.51127 -19.9391 1.51127 -17.7641 29.8522 -19.9392 29.8522 18.5647 GPRESSAVG: 2900800 10.4985 0.947204 -19.937 1.13886 -18.6957 32.1764 -21.4981 30.1102 18.5816 TIMING: 2900800 CPU: 8417.87, 0.00290922/step Wall: 8417.87, 0.00290922/step, 1.6964 hours remaining, 207.371094 MB of memory in use. ENERGY: 2900800 754.5215 2022.9100 1944.4358 110.4392 -205996.3807 17954.2673 0.0000 0.0000 34029.0714 -149180.7355 297.1843 -183209.8069 -149090.9466 299.0423 66.9385 101.3451 558375.0118 3.4226 3.4615 PRESSURE: 2901000 -144.865 46.7067 81.2619 46.7072 -191.765 -103.834 81.2624 -103.833 40.9947 GPRESSURE: 2901000 -132.626 60.0037 116.468 -24.0671 -142.012 -58.6587 64.2428 -97.283 57.3907 PRESSAVG: 2901000 -19.6842 -10.2635 -5.21077 -10.2635 64.3752 -15.2275 -5.21078 -15.2275 -59.4481 GPRESSAVG: 2901000 -19.6905 -10.05 -4.31183 -8.32391 64.4176 -16.4705 -5.13524 -14.8254 -59.343 TIMING: 2901000 CPU: 8418.45, 0.00291249/step Wall: 8418.45, 0.00291249/step, 1.69814 hours remaining, 207.371094 MB of memory in use. ENERGY: 2901000 736.8910 2119.8418 1944.3696 124.7778 -206000.6598 17663.5806 0.0000 0.0000 34301.7087 -149109.4904 299.5654 -183411.1991 -149016.0824 298.9611 -98.5452 -72.4158 558588.3355 -4.9191 -4.8720 PRESSURE: 2901200 139.494 -139.408 -6.51853 -139.407 -11.3852 -122.79 -6.51856 -122.789 87.9396 GPRESSURE: 2901200 169.92 -100.702 12.5522 -176.356 -24.2482 -148.636 56.9362 -6.37106 156.428 PRESSAVG: 2901200 -27.9656 -16.5038 32.4337 -16.5038 -29.2587 55.4048 32.4337 55.4047 20.6643 GPRESSAVG: 2901200 -28.6775 -16.1991 32.3528 -18.4917 -28.2534 54.6008 31.6929 56.1322 20.8161 TIMING: 2901200 CPU: 8419.04, 0.00291541/step Wall: 8419.04, 0.00291541/step, 1.69969 hours remaining, 207.371094 MB of memory in use. ENERGY: 2901200 743.7254 2105.3252 1951.3308 109.3038 -206386.0445 18073.4695 0.0000 0.0000 34204.3063 -149198.5835 298.7147 -183402.8898 -149109.5496 298.6791 72.0162 100.6999 557295.6367 -12.1867 -12.0383 PRESSURE: 2901400 -339.19 -2.66611 52.7328 -2.66625 -24.9965 -302.983 52.7343 -302.984 -105.769 GPRESSURE: 2901400 -291.64 67.1846 51.8317 -62.6463 5.8513 -431.35 29.8817 -166.937 -77.0391 PRESSAVG: 2901400 -17.5924 -24.1129 -34.0327 -24.113 5.462 -12.4991 -34.0326 -12.4991 -24.4112 GPRESSAVG: 2901400 -16.2978 -24.5201 -34.7703 -23.1702 3.49981 -11.2103 -32.4691 -14.5718 -24.0574 TIMING: 2901400 CPU: 8419.62, 0.00291812/step Wall: 8419.62, 0.00291812/step, 1.7011 hours remaining, 207.371094 MB of memory in use. ENERGY: 2901400 777.2086 2122.0453 1949.8450 106.1351 -206373.2739 17898.3269 0.0000 0.0000 34253.9120 -149265.8009 299.1479 -183519.7129 -149170.5539 299.3595 -156.6520 -120.9427 557784.8549 -12.1805 -12.2851 PRESSURE: 2901600 -365.731 -14.1301 -130.441 -14.1299 204.854 -25.1983 -130.441 -25.1996 -214.614 GPRESSURE: 2901600 -366.692 -35.4088 -113.915 8.86969 247.582 -77.8353 -67.4493 -8.49717 -160.379 PRESSAVG: 2901600 27.8098 -2.88065 -24.4783 -2.88058 1.87114 -44.8254 -24.4783 -44.8255 19.4667 GPRESSAVG: 2901600 26.0991 -2.15757 -24.331 -2.48936 3.78308 -45.8553 -24.1934 -43.9455 19.5756 TIMING: 2901600 CPU: 8420.2, 0.00290585/step Wall: 8420.2, 0.00290585/step, 1.69379 hours remaining, 207.371094 MB of memory in use. ENERGY: 2901600 768.6137 2058.9836 1920.9251 106.1430 -206259.2147 17829.1062 0.0000 0.0000 34217.5145 -149357.9287 298.8301 -183575.4431 -149254.7597 298.8791 -125.1638 -93.1628 558801.3720 16.3826 16.4859 PRESSURE: 2901800 -48.168 -117.189 75.4175 -117.188 -181.895 66.2481 75.4186 66.248 -152.648 GPRESSURE: 2901800 -4.20627 -25.7262 63.5435 -195.023 -125.023 139.864 83.2462 23.734 -158.389 PRESSAVG: 2901800 -25.3215 -22.2957 17.6358 -22.2957 5.91568 -5.58961 17.6358 -5.58953 14.4637 GPRESSAVG: 2901800 -24.617 -23.0728 17.2702 -23.6776 5.6378 -4.2705 16.0479 -7.48133 13.9572 TIMING: 2901800 CPU: 8420.78, 0.00290268/step Wall: 8420.78, 0.00290268/step, 1.69178 hours remaining, 207.371094 MB of memory in use. ENERGY: 2901800 771.9045 2097.0470 1919.1171 116.8968 -205933.2574 17677.1252 0.0000 0.0000 34209.8723 -149141.2945 298.7633 -183351.1668 -149040.9588 298.7767 -127.5704 -95.8728 558246.0326 -1.6474 -1.6740 PRESSURE: 2902000 -86.063 -106.561 0.662424 -106.561 121.775 -15.1346 0.66145 -15.1351 -0.834958 GPRESSURE: 2902000 -73.8895 -74.7692 28.706 -83.3635 137.047 39.1477 -79.7486 -50.7145 57.7512 PRESSAVG: 2902000 52.3082 -45.1485 1.86449 -45.1485 -10.0786 1.11672 1.86453 1.11671 -64.3465 GPRESSAVG: 2902000 51.9463 -43.9408 1.68078 -44.048 -10.4415 -0.301384 2.36438 2.15089 -63.3316 TIMING: 2902000 CPU: 8421.36, 0.00288486/step Wall: 8421.36, 0.00288486/step, 1.68123 hours remaining, 207.371094 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: 2902000 724.1905 2105.3086 1958.1466 116.1898 -206125.2883 17760.7197 0.0000 0.0000 34349.8965 -149110.8365 299.9862 -183460.7331 -149019.6384 299.7279 11.6257 40.3029 558299.0021 -7.3723 -7.2756 PRESSURE: 2902200 -44.541 -95.2796 45.6082 -95.2791 -114.46 -10.9015 45.6082 -10.9014 -112.004 GPRESSURE: 2902200 14.5906 -55.2604 38.656 -108.112 -95.9583 -23.5998 36.1382 34.3501 -99.1322 PRESSAVG: 2902200 -51.9357 -18.8781 31.5001 -18.8781 1.83044 5.42245 31.5 5.42236 36.7175 GPRESSAVG: 2902200 -51.2111 -17.9161 32.7513 -18.9067 0.963259 5.8302 28.3672 3.661 36.0501 TIMING: 2902200 CPU: 8421.94, 0.0029074/step Wall: 8421.94, 0.0029074/step, 1.69421 hours remaining, 207.574219 MB of memory in use. ENERGY: 2902200 741.8089 2140.8623 1940.8532 117.0330 -206063.7063 17729.0601 0.0000 0.0000 34261.4247 -149132.6642 299.2135 -183394.0889 -149044.4300 299.8790 -90.3351 -60.1666 557736.9264 -4.4626 -4.7326 PRESSURE: 2902400 59.7196 -15.0841 97.1465 -15.0852 61.7015 -100.883 97.1454 -100.882 -19.1988 GPRESSURE: 2902400 88.5214 -41.5798 16.979 -41.598 43.8677 -122.061 121.583 -90.6944 64.029 PRESSAVG: 2902400 -27.9087 -51.1277 30.6859 -51.1277 37.171 -22.4024 30.686 -22.4023 -40.0914 GPRESSAVG: 2902400 -28.8214 -53.1095 30.9462 -51.0351 37.2026 -21.7089 32.9674 -21.0746 -39.6565 TIMING: 2902400 CPU: 8422.52, 0.00291447/step Wall: 8422.52, 0.00291447/step, 1.69817 hours remaining, 207.574219 MB of memory in use. ENERGY: 2902400 761.1326 2158.8826 1945.0128 115.1047 -206118.6692 17909.8100 0.0000 0.0000 34109.6279 -149119.0985 297.8879 -183228.7264 -149026.7026 299.5755 34.0741 65.4727 557875.3904 -10.2764 -10.4251 PRESSURE: 2902600 54.0926 -55.6748 79.1009 -55.6755 105.887 9.92366 79.1003 9.92304 36.4132 GPRESSURE: 2902600 222.172 -32.7488 111.093 -136.523 17.9944 44.7593 166.019 -56.3443 65.1609 PRESSAVG: 2902600 31.997 -23.6863 -33.8259 -23.6862 24.0296 43.8119 -33.826 43.8119 -3.83187 GPRESSAVG: 2902600 30.9859 -23.901 -36.8635 -23.8148 24.798 44.7709 -30.973 44.5415 -3.46791 TIMING: 2902600 CPU: 8423.1, 0.00289436/step Wall: 8423.1, 0.00289436/step, 1.68629 hours remaining, 207.574219 MB of memory in use. ENERGY: 2902600 697.4571 2114.3789 1962.6687 115.5983 -205922.0254 17761.2075 0.0000 0.0000 34121.1539 -149149.5610 297.9885 -183270.7150 -149062.1302 299.1541 65.4642 101.7759 557160.0062 17.3983 17.4387 PRESSURE: 2902800 72.2378 170.991 24.6026 170.991 47.6614 6.12515 24.6034 6.12626 259.787 GPRESSURE: 2902800 91.4247 90.9078 71.657 104.224 74.1007 65.24 18.7465 -9.76067 304.105 PRESSAVG: 2902800 -62.4936 -13.0569 -6.96942 -13.0568 48.5939 -16.3978 -6.9694 -16.3977 -13.2932 GPRESSAVG: 2902800 -62.5252 -12.7963 -4.14348 -13.0744 47.795 -17.1369 -10.7279 -16.5312 -13.2743 TIMING: 2902800 CPU: 8423.68, 0.00290185/step Wall: 8423.68, 0.00290185/step, 1.69049 hours remaining, 207.574219 MB of memory in use. ENERGY: 2902800 745.2751 2112.5909 1938.8981 113.6947 -206128.9540 18027.0928 0.0000 0.0000 34207.6445 -148983.7579 298.7439 -183191.4024 -148891.6410 299.0427 126.5620 156.5434 557758.1796 -9.0643 -9.3349 PRESSURE: 2903000 249.819 -62.2588 -40.8877 -62.2591 -189.475 -89.9105 -40.8899 -89.9107 34.0142 GPRESSURE: 2903000 274.491 -74.0374 -28.0568 -46.9549 -190.242 -80.0784 -57.1879 -54.1484 107.79 PRESSAVG: 2903000 32.5726 -5.12733 -5.70251 -5.12724 21.8459 14.3082 -5.70248 14.3081 13.765 GPRESSAVG: 2903000 33.3996 -3.89347 -7.23045 -5.47522 21.3231 12.3357 -1.61281 14.783 14.1293 TIMING: 2903000 CPU: 8424.26, 0.00290837/step Wall: 8424.26, 0.00290837/step, 1.69413 hours remaining, 207.574219 MB of memory in use. ENERGY: 2903000 718.2824 2098.8652 1975.0677 104.1541 -206263.6515 17932.5235 0.0000 0.0000 34408.9838 -149025.7747 300.5022 -183434.7585 -148930.4600 299.7326 31.4527 64.0131 558962.3575 22.7278 22.9507 PRESSURE: 2903200 -297.376 -155.618 54.1853 -155.617 -132.795 -1.53839 54.1844 -1.53844 7.37879 GPRESSURE: 2903200 -265.945 -136.781 40.1041 -163.344 -120.637 120.214 28.1367 -68.5866 73.9179 PRESSAVG: 2903200 -19.2635 14.6218 -19.8585 14.6218 -40.8776 -25.0765 -19.8584 -25.0766 25.2243 GPRESSAVG: 2903200 -19.5711 13.9256 -20.4565 15.6248 -40.4354 -23.1781 -19.8872 -24.1172 24.9925 TIMING: 2903200 CPU: 8424.85, 0.00290422/step Wall: 8424.85, 0.00290422/step, 1.69155 hours remaining, 207.574219 MB of memory in use. ENERGY: 2903200 770.6818 2133.9449 1972.3599 105.3214 -205907.7027 17670.4292 0.0000 0.0000 34269.7379 -148985.2276 299.2861 -183254.9656 -148889.0540 300.2765 -140.9306 -104.2212 559055.9685 -11.6390 -11.6713 PRESSURE: 2903400 -42.631 63.2252 39.393 63.2225 -47.3314 -11.4691 39.392 -11.4677 -141.516 GPRESSURE: 2903400 -13.4184 179.64 99.9651 -15.9776 -65.9651 -33.9226 69.1558 -25.8402 -56.7982 PRESSAVG: 2903400 2.95594 9.06089 14.6751 9.06099 -3.10451 31.3987 14.6751 31.3987 43.2473 GPRESSAVG: 2903400 3.43339 10.008 15.2431 8.19329 -3.39242 30.9552 12.7386 29.6352 42.9037 TIMING: 2903400 CPU: 8425.43, 0.00291217/step Wall: 8425.43, 0.00291217/step, 1.69602 hours remaining, 207.574219 MB of memory in use. ENERGY: 2903400 737.1206 2125.9685 1934.3389 123.9688 -205915.9460 17755.5809 0.0000 0.0000 34214.1107 -149024.8575 298.8003 -183238.9682 -148934.8429 299.8347 -77.1595 -45.3939 557231.4823 14.3663 14.3149 PRESSURE: 2903600 130.027 176.095 109.669 176.094 -93.0791 97.3387 109.669 97.339 200.17 GPRESSURE: 2903600 142.588 156.589 31.4073 83.8462 -46.8558 150.223 195.142 31.6682 238.824 PRESSAVG: 2903600 -20.1836 -17.2523 29.0194 -17.2524 -8.56264 14.0486 29.0194 14.0485 -24.2894 GPRESSAVG: 2903600 -19.3589 -18.4027 28.8343 -16.3136 -9.21575 13.3861 29.8582 14.1492 -24.8711 TIMING: 2903600 CPU: 8426.01, 0.00289938/step Wall: 8426.01, 0.00289938/step, 1.68841 hours remaining, 207.574219 MB of memory in use. ENERGY: 2903600 753.8636 2098.8802 1962.8312 130.2122 -206036.5531 17817.3003 0.0000 0.0000 34492.4770 -148780.9887 301.2314 -183273.4657 -148681.8153 300.1383 79.0390 111.5189 557643.7758 -17.6786 -17.8152 PRESSURE: 2903800 -74.6492 54.8863 -89.1083 54.8846 -174.557 24.3209 -89.1076 24.321 287.734 GPRESSURE: 2903800 64.4133 105.759 -56.0455 56.3738 -161.448 -53.1806 -113.286 15.4876 237.878 PRESSAVG: 2903800 12.5899 -2.69397 1.49794 -2.69399 -39.1549 27.4338 1.49799 27.4338 22.9902 GPRESSAVG: 2903800 11.6718 -2.80353 1.77996 -2.83044 -38.8731 26.7096 1.17982 27.3731 23.209 TIMING: 2903800 CPU: 8426.59, 0.00289904/step Wall: 8426.59, 0.00289904/step, 1.68805 hours remaining, 207.574219 MB of memory in use. ENERGY: 2903800 730.2493 2105.8647 1976.2872 110.4351 -205786.5064 17702.9443 0.0000 0.0000 34477.0886 -148683.6371 301.0970 -183160.7256 -148586.5702 300.2532 12.8425 46.9477 557689.2248 -1.1916 -1.3308 PRESSURE: 2904000 -80.8692 15.8918 -177.005 15.8918 -332.303 64.0652 -177.005 64.0647 37.4471 GPRESSURE: 2904000 -56.942 -6.60593 -183.054 62.4564 -296.684 89.3088 -95.0918 131.115 82.0683 PRESSAVG: 2904000 27.9117 21.1762 -17.1161 21.1762 -66.8275 -42.6666 -17.1162 -42.6665 53.9817 GPRESSAVG: 2904000 27.3993 23.0567 -16.639 18.7588 -66.4209 -40.302 -18.2517 -43.3116 54.8059 TIMING: 2904000 CPU: 8427.17, 0.00291256/step Wall: 8427.17, 0.00291256/step, 1.69576 hours remaining, 207.574219 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: 2904000 758.8659 2065.2142 1959.0475 121.7397 -205649.4674 17551.0851 0.0000 0.0000 34445.4877 -148748.0273 300.8210 -183193.5149 -148650.7126 299.9560 -125.2418 -90.5194 557905.0891 5.0220 5.2614 PRESSURE: 2904200 37.8733 -246.554 -55.0033 -246.555 -266.544 -70.6264 -55.0024 -70.6275 30.9828 GPRESSURE: 2904200 124.03 -217.031 -67.9219 -261.44 -284.953 -64.6996 -80.839 -74.8559 54.69 PRESSAVG: 2904200 13.9955 4.48726 18.0403 4.48729 -30.5415 72.7952 18.0403 72.7951 51.3345 GPRESSAVG: 2904200 14.0237 3.29413 18.1684 5.7833 -30.1118 73.4206 17.0735 73.4816 50.8659 TIMING: 2904200 CPU: 8427.75, 0.00290101/step Wall: 8427.75, 0.00290101/step, 1.68887 hours remaining, 207.574219 MB of memory in use. ENERGY: 2904200 741.7764 2078.7136 1960.4220 113.0929 -206053.3239 17689.0813 0.0000 0.0000 34575.4395 -148894.7982 301.9559 -183470.2378 -148798.3045 300.2075 -65.8960 -35.4110 558359.6766 11.5961 11.5926 LDB: ============= START OF LOAD BALANCING ============== 8431.22 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8431.22 LDB: =============== DONE WITH MIGRATION ================ 8431.22 LDB: ============= START OF LOAD BALANCING ============== 8431.51 LDB: Largest compute 4820 load 0.029434 is 25.0% of average load 0.117781 LDB: Average compute 0.001729 is 1.5% of average load 0.117781 LDB: TIME 8431.51 LOAD: AVG 0.117781 MAX 0.180067 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.949 MB LDB: TIME 8431.51 LOAD: AVG 0.117781 MAX 0.180067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: TIME 8431.51 LOAD: AVG 0.117781 MAX 0.180067 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.059 MB LDB: ============== END OF LOAD BALANCING =============== 8431.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8431.52 PRESSURE: 2904400 -4.92253 96.2856 11.954 96.2851 37.2239 -57.8125 11.9543 -57.814 147.417 GPRESSURE: 2904400 7.82083 174.272 -53.0299 93.5431 87.6801 -38.3203 100.154 -80.7198 186.534 PRESSAVG: 2904400 20.8988 -34.6317 -20.0792 -34.6318 -44.1827 24.4515 -20.0792 24.4515 6.56522 GPRESSAVG: 2904400 20.6113 -32.7602 -19.3229 -35.4584 -43.9686 24.2576 -20.2262 23.2547 6.66382 TIMING: 2904400 CPU: 8428.34, 0.00296206/step Wall: 8428.34, 0.00296206/step, 1.72425 hours remaining, 205.750000 MB of memory in use. ENERGY: 2904400 758.9575 2067.3209 1951.4361 115.1164 -205734.4765 17728.9020 0.0000 0.0000 34328.0279 -148784.7156 299.7952 -183112.7435 -148690.9413 300.1903 59.9061 94.0115 558022.5866 -5.5729 -5.5645 PRESSURE: 2904600 -196.733 -13.8414 78.77 -13.8417 18.5031 26.4231 78.7708 26.423 -49.7357 GPRESSURE: 2904600 -202.445 -32.7487 119.433 37.3682 31.1001 65.0037 71.9966 -66.3661 37.6925 PRESSAVG: 2904600 -52.4385 20.7842 -25.4566 20.7841 28.058 20.8868 -25.4565 20.8868 23.8399 GPRESSAVG: 2904600 -52.6643 18.3517 -27.9359 22.7282 27.882 20.885 -21.798 22.9469 24.1731 TIMING: 2904600 CPU: 8428.92, 0.00290218/step Wall: 8428.92, 0.00290218/step, 1.68923 hours remaining, 205.750000 MB of memory in use. ENERGY: 2904600 772.9630 2063.5912 1941.8070 117.1235 -205750.9913 17636.4500 0.0000 0.0000 34371.6334 -148847.4231 300.1760 -183219.0565 -148745.1610 299.9520 -75.9885 -44.5509 557143.8508 -0.1802 -0.2031 PRESSURE: 2904800 -91.5431 7.18926 -9.84919 7.18821 -97.2804 98.0468 -9.84671 98.046 20.8183 GPRESSURE: 2904800 -79.951 23.643 -20.9643 -68.4032 -45.5833 67.5677 -64.7093 152.147 59.8841 PRESSAVG: 2904800 -51.1244 2.34232 18.9685 2.34228 -34.294 20.8706 18.9684 20.8705 56.6613 GPRESSAVG: 2904800 -50.1878 4.65989 21.7981 0.942899 -34.587 19.776 16.7672 18.6331 56.0217 TIMING: 2904800 CPU: 8429.51, 0.00294988/step Wall: 8429.51, 0.00294988/step, 1.71683 hours remaining, 205.750000 MB of memory in use. ENERGY: 2904800 711.8326 2111.8275 1947.6817 120.3987 -205721.0863 17636.5637 0.0000 0.0000 34289.8285 -148902.9536 299.4616 -183192.7821 -148800.0334 300.4098 -56.0017 -21.8834 557773.9287 -9.5857 -9.5844 PRESSURE: 2905000 82.2038 14.323 -3.25655 14.3235 -263.873 245.119 -3.25642 245.117 -19.3652 GPRESSURE: 2905000 111.898 14.8837 -92.2328 -22.037 -226.538 242.876 -59.0419 343.157 16.1544 PRESSAVG: 2905000 18.4366 -32.0527 -19.8273 -32.0527 -56.4032 7.7105 -19.8274 7.71054 57.6357 GPRESSAVG: 2905000 19.0967 -34.1711 -19.7875 -31.82 -56.5713 7.90474 -20.427 9.47291 56.8475 TIMING: 2905000 CPU: 8430.1, 0.00292028/step Wall: 8430.1, 0.00292028/step, 1.69944 hours remaining, 205.750000 MB of memory in use. ENERGY: 2905000 763.3945 2117.9197 1942.4406 119.4834 -205361.6035 17611.9529 0.0000 0.0000 34072.4549 -148733.9576 297.5632 -182806.4125 -148627.0772 300.1482 -67.0114 -32.8288 558084.6829 6.5563 6.4576 PRESSURE: 2905200 410.529 -56.9559 -67.3873 -56.9568 381.749 -54.8549 -67.3874 -54.8564 604.333 GPRESSURE: 2905200 442.988 -114.779 -80.9154 9.29938 418.554 -64.6601 21.8665 -5.90248 615.76 PRESSAVG: 2905200 4.18606 -20.1459 -52.8647 -20.1459 39.2065 17.4086 -52.8646 17.4085 -2.07491 GPRESSAVG: 2905200 2.7801 -18.5019 -54.0504 -20.9171 39.5139 16.364 -51.8731 18.5646 -1.12176 TIMING: 2905200 CPU: 8430.68, 0.00291631/step Wall: 8430.68, 0.00291631/step, 1.69697 hours remaining, 205.750000 MB of memory in use. ENERGY: 2905200 728.8966 2099.6061 1938.1366 134.1678 -206625.0788 18503.7832 0.0000 0.0000 34475.0870 -148745.4015 301.0795 -183220.4885 -148653.9079 300.5282 465.5369 492.4340 556780.4809 13.7725 13.7241 PRESSURE: 2905400 53.6291 28.7278 -21.9392 28.729 135.872 -120.848 -21.9397 -120.847 -16.7762 GPRESSURE: 2905400 55.0898 27.9277 16.9578 43.48 107.199 -100.331 -10.8161 -140.558 107.597 PRESSAVG: 2905400 -16.6681 49.7898 -78.6579 49.7898 -23.5128 -5.96981 -78.6579 -5.96985 25.9221 GPRESSAVG: 2905400 -16.1181 47.786 -78.2464 53.3762 -24.1808 -4.36355 -78.7829 -8.22083 25.8854 TIMING: 2905400 CPU: 8431.26, 0.00291256/step Wall: 8431.26, 0.00291256/step, 1.69462 hours remaining, 205.750000 MB of memory in use. ENERGY: 2905400 751.4253 2139.4968 1961.3764 114.7111 -205745.6310 17610.0418 0.0000 0.0000 34269.9845 -148898.5951 299.2883 -183168.5796 -148808.9795 300.1193 57.5751 89.9621 556857.2950 -4.7529 -4.8045 PRESSURE: 2905600 -350.63 -115.685 -165.165 -115.686 -208.706 -9.03199 -165.165 -9.03334 -378.884 GPRESSURE: 2905600 -391.593 -25.2086 -177.699 -139.799 -129.801 -40.3551 -169.564 -9.96147 -322.353 PRESSAVG: 2905600 29.7833 18.5595 -35.9528 18.5595 11.271 -11.553 -35.9529 -11.5531 -18.0036 GPRESSAVG: 2905600 29.617 20.4223 -36.382 14.2338 11.5443 -9.75348 -35.3872 -11.9135 -18.2246 TIMING: 2905600 CPU: 8431.85, 0.00292424/step Wall: 8431.85, 0.00292424/step, 1.70126 hours remaining, 205.750000 MB of memory in use. ENERGY: 2905600 755.5566 2101.9966 1948.4960 110.7841 -205740.7286 17456.2914 0.0000 0.0000 34367.4715 -149000.1323 300.1397 -183367.6038 -148893.7390 300.0078 -312.7399 -281.2490 558390.8809 7.6836 7.6456 PRESSURE: 2905800 -162.669 -68.7342 96.3477 -68.7337 115.205 -163.551 96.3464 -163.551 -28.9 GPRESSURE: 2905800 -148.273 -145.406 77.0535 -82.9485 187.742 -268.04 19.586 -126.523 -5.20433 PRESSAVG: 2905800 21.2903 65.6454 -23.609 65.6453 56.5763 -20.938 -23.609 -20.9379 -38.8749 GPRESSAVG: 2905800 21.1414 64.5096 -23.1474 68.1779 55.9365 -21.4111 -24.2319 -21.9041 -38.3623 TIMING: 2905800 CPU: 8432.43, 0.00292448/step Wall: 8432.43, 0.00292448/step, 1.70124 hours remaining, 205.750000 MB of memory in use. ENERGY: 2905800 730.7647 2025.0775 1974.2456 127.5892 -205732.2385 17555.6545 0.0000 0.0000 34425.7663 -148893.1408 300.6488 -183318.9071 -148799.6786 300.2260 -25.4545 11.4216 557768.9094 12.9972 12.9052 PRESSURE: 2906000 90.9866 -154.756 -111.807 -154.755 -205.799 -135.413 -111.806 -135.412 36.0838 GPRESSURE: 2906000 157.704 -157.28 -73.0181 -176.655 -209.886 -86.1857 -180.335 -192.456 74.4043 PRESSAVG: 2906000 -16.8656 -40.0881 0.293867 -40.0882 6.23913 -16.696 0.293866 -16.6961 -27.9761 GPRESSAVG: 2906000 -16.3362 -37.8895 -0.00707299 -41.9193 5.19618 -19.7328 -1.24626 -13.6348 -26.8149 TIMING: 2906000 CPU: 8433.02, 0.00291994/step Wall: 8433.02, 0.00291994/step, 1.69843 hours remaining, 205.750000 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: 2906000 753.4784 2049.6831 1945.0445 108.8041 -205668.2955 17660.9760 0.0000 0.0000 34293.2450 -148857.0645 299.4914 -183150.3095 -148757.6370 300.3009 -26.2427 7.4075 557075.6366 -12.8675 -12.6517 PRESSURE: 2906200 -114.442 -72.8915 -41.3337 -72.8912 42.6859 -102.949 -41.3341 -102.948 -174.121 GPRESSURE: 2906200 -126.33 -17.7613 -100.162 -72.9365 75.0453 -94.1674 30.41 -79.0529 -110.929 PRESSAVG: 2906200 13.359 -22.7625 -54.9488 -22.7625 15.9306 17.6902 -54.9488 17.6902 -34.0402 GPRESSAVG: 2906200 13.4144 -24.3362 -52.1916 -19.9837 16.6717 18.4043 -54.9535 16.0529 -34.8318 TIMING: 2906200 CPU: 8433.6, 0.00292314/step Wall: 8433.6, 0.00292314/step, 1.70013 hours remaining, 205.750000 MB of memory in use. ENERGY: 2906200 776.6177 2127.0924 1986.1393 116.6877 -205845.7297 17692.2366 0.0000 0.0000 34275.5058 -148871.4502 299.3365 -183146.9560 -148776.2685 300.2036 -81.9593 -54.0712 557418.9705 -1.5835 -1.5819 PRESSURE: 2906400 84.5224 -17.6626 -87.6764 -17.6623 -0.0966055 126.217 -87.6765 126.215 219.569 GPRESSURE: 2906400 183.773 27.418 -14.9232 -43.0015 -24.6411 133.971 -128.505 133.292 235.705 PRESSAVG: 2906400 22.5202 -33.0564 -39.9352 -33.0563 6.78747 -3.07064 -39.9352 -3.07068 -43.4181 GPRESSAVG: 2906400 24.0282 -33.026 -41.1814 -35.1787 6.39477 -4.84143 -41.0369 -0.728476 -44.5585 TIMING: 2906400 CPU: 8434.19, 0.00295088/step Wall: 8434.19, 0.00295088/step, 1.7161 hours remaining, 205.750000 MB of memory in use. ENERGY: 2906400 760.3130 2125.4857 1966.0443 119.7955 -206083.4476 17832.5075 0.0000 0.0000 34241.8201 -149037.4815 299.0423 -183279.3016 -148941.4515 300.2317 101.3316 131.6124 556931.3171 -4.7035 -4.7118 PRESSURE: 2906600 93.0118 -85.4381 9.35705 -85.4387 -8.79832 -8.80502 9.3581 -8.80633 226.691 GPRESSURE: 2906600 71.0818 -144.297 78.0422 -8.40341 79.179 -28.4911 19.7583 -18.4339 251.148 PRESSAVG: 2906600 -86.5477 -7.59972 21.5467 -7.59983 21.0741 -1.74648 21.5467 -1.74643 41.8326 GPRESSAVG: 2906600 -87.3469 -7.58937 19.6605 -6.33279 21.1489 1.404 24.5905 -2.47851 41.5431 TIMING: 2906600 CPU: 8434.78, 0.00294229/step Wall: 8434.78, 0.00294229/step, 1.71094 hours remaining, 205.750000 MB of memory in use. ENERGY: 2906600 755.3318 2152.2611 1939.2062 117.8740 -206356.2148 17977.5516 0.0000 0.0000 34316.9028 -149097.0874 299.6980 -183413.9902 -149008.1730 299.5331 103.6347 133.8029 558183.5999 -7.8803 -8.2183 PRESSURE: 2906800 -156.086 -8.41439 -89.7238 -8.41374 -69.2361 -66.0313 -89.7224 -66.0311 124.208 GPRESSURE: 2906800 -131.186 -46.0801 -12.2132 18.42 -57.187 -78.9578 -119.267 -1.01795 193.656 PRESSAVG: 2906800 -77.2102 -33.8714 -14.2222 -33.8714 16.7969 31.1789 -14.2222 31.1788 57.0216 GPRESSAVG: 2906800 -77.6437 -34.1061 -12.729 -32.7136 17.6828 28.7416 -14.1004 31.4441 56.9044 TIMING: 2906800 CPU: 8435.37, 0.00293386/step Wall: 8435.37, 0.00293386/step, 1.70588 hours remaining, 205.750000 MB of memory in use. ENERGY: 2906800 751.5239 2121.2016 1940.2315 104.4179 -206153.4863 17722.7193 0.0000 0.0000 34469.7148 -149043.6773 301.0326 -183513.3921 -148948.9930 299.9742 -33.7050 1.7611 557092.7595 -1.1306 -1.0188 PRESSURE: 2907000 -124.282 43.4619 79.8765 43.4608 -85.3811 122.617 79.8763 122.618 -68.7097 GPRESSURE: 2907000 -129.796 31.7364 59.6929 -9.98885 -46.8637 280.175 110.077 77.9925 -1.40725 PRESSAVG: 2907000 -24.2099 -53.3674 -10.575 -53.3674 -29.1598 78.8469 -10.5749 78.8468 67.6993 GPRESSAVG: 2907000 -23.9547 -53.9299 -12.3114 -54.1394 -29.2666 81.4876 -13.3465 78.6584 68.3708 TIMING: 2907000 CPU: 8435.95, 0.00289913/step Wall: 8435.95, 0.00289913/step, 1.68552 hours remaining, 205.750000 MB of memory in use. ENERGY: 2907000 751.5087 2034.6833 1946.8826 109.2015 -205589.3459 17577.0951 0.0000 0.0000 34206.0101 -148963.9646 298.7296 -183169.9747 -148858.6148 300.2868 -92.7909 -59.3556 557801.9461 4.7766 5.0498 PRESSURE: 2907200 2.45835 -86.0803 -97.9696 -86.0789 -187.951 56.207 -97.9684 56.2074 -91.8786 GPRESSURE: 2907200 18.8789 -33.3391 -92.0284 -96.2721 -195.101 60.4001 -106.78 115.715 -11.5941 PRESSAVG: 2907200 -8.23661 -31.0602 8.54338 -31.0602 -2.46168 11.0615 8.54342 11.0615 -52.3867 GPRESSAVG: 2907200 -8.27901 -30.0905 7.55188 -30.661 -3.40147 10.8237 10.3137 9.66179 -50.7741 TIMING: 2907200 CPU: 8436.53, 0.00290376/step Wall: 8436.53, 0.00290376/step, 1.68805 hours remaining, 205.750000 MB of memory in use. ENERGY: 2907200 750.4267 2119.6041 1967.0484 106.2012 -205582.4815 17573.5949 0.0000 0.0000 34230.7960 -148834.8103 298.9461 -183065.6063 -148740.4890 299.9751 -92.4571 -62.6055 556501.8261 -21.0283 -20.8182 PRESSURE: 2907400 -177.859 -47.5473 61.1007 -47.547 -112.097 154.84 61.1004 154.839 -148.341 GPRESSURE: 2907400 -153.574 -1.409 -30.2374 -59.286 -111.587 135.002 117.03 170.369 -75.6722 PRESSAVG: 2907400 3.20321 -2.9735 -34.1763 -2.97353 18.9478 5.58818 -34.1763 5.58816 11.4596 GPRESSAVG: 2907400 3.88618 -3.59487 -32.1607 -3.82473 19.4782 2.59683 -33.5322 8.3805 10.5263 TIMING: 2907400 CPU: 8437.11, 0.0029007/step Wall: 8437.11, 0.0029007/step, 1.68611 hours remaining, 205.750000 MB of memory in use. ENERGY: 2907400 764.8841 2109.8851 1945.6693 114.2736 -205804.9503 17577.0161 0.0000 0.0000 34671.0293 -148622.1929 302.7907 -183293.2222 -148530.9686 301.0394 -146.0987 -113.6109 557356.1715 11.2035 11.2969 PRESSURE: 2907600 77.4061 -88.5843 -97.7864 -88.5846 17.8312 -4.53425 -97.7863 -4.53453 211.542 GPRESSURE: 2907600 114.303 -53.9879 -89.3284 -97.9205 13.2959 28.9987 -92.746 114.689 285.094 PRESSAVG: 2907600 49.6034 9.005 -35.3078 9.00498 -23.9085 -20.4253 -35.3078 -20.4252 -2.04448 GPRESSAVG: 2907600 49.035 8.55544 -33.4819 7.88916 -24.335 -18.6217 -36.5659 -22.0178 -0.657409 TIMING: 2907600 CPU: 8437.69, 0.00289873/step Wall: 8437.69, 0.00289873/step, 1.68481 hours remaining, 205.750000 MB of memory in use. ENERGY: 2907600 740.2092 2050.7468 1958.8130 98.4795 -205906.8922 17982.4191 0.0000 0.0000 34415.9962 -148660.2284 300.5635 -183076.2246 -148560.7222 300.7731 102.2596 137.5644 558975.8956 7.8835 8.0142 PRESSURE: 2907800 -149.141 -74.3578 105.294 -74.3575 -40.7056 79.8483 105.294 79.8472 -284.749 GPRESSURE: 2907800 -142.278 -71.8661 160.077 -98.1334 -2.95092 77.9958 0.797817 125.266 -226.275 PRESSAVG: 2907800 -20.0868 -29.3497 -26.9794 -29.3498 -55.9835 25.5791 -26.9794 25.5791 60.2095 GPRESSAVG: 2907800 -20.7762 -28.9833 -28.4699 -26.6354 -54.5284 25.2514 -27.4609 25.0702 59.5565 TIMING: 2907800 CPU: 8438.27, 0.00291343/step Wall: 8438.27, 0.00291343/step, 1.69319 hours remaining, 205.750000 MB of memory in use. ENERGY: 2907800 762.6279 2074.2050 1946.5386 127.4267 -205285.7132 17476.2166 0.0000 0.0000 34308.2036 -148590.4949 299.6221 -182898.6984 -148500.8514 300.6024 -158.1985 -123.8344 559295.7499 -5.2869 -5.2494 PRESSURE: 2908000 -44.5217 32.7144 27.6639 32.7139 122.915 27.27 27.6626 27.2694 -212.632 GPRESSURE: 2908000 -11.8515 91.1197 7.81967 -38.9594 165.848 43.8022 -28.1513 50.8762 -186.346 PRESSAVG: 2908000 43.7479 38.4561 16.99 38.4561 -28.9069 24.8862 16.99 24.8862 -1.35344 GPRESSAVG: 2908000 44.897 37.5451 15.6518 35.8233 -29.4615 24.3252 18.0617 26.3201 -1.89906 TIMING: 2908000 CPU: 8438.85, 0.00292244/step Wall: 8438.85, 0.00292244/step, 1.69826 hours remaining, 205.750000 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: 2908000 773.0371 2068.4561 1971.6165 116.0812 -205545.7568 17694.6111 0.0000 0.0000 34350.6190 -148571.3359 299.9925 -182921.9548 -148479.5898 300.3831 -44.7461 -10.7831 558286.6106 4.4958 4.5121 PRESSURE: 2908200 -30.2475 193.094 -29.2918 193.095 -102.455 60.2065 -29.2925 60.2076 174.393 GPRESSURE: 2908200 32.1834 136.105 -170.943 175.729 -72.7839 229.254 -0.0906648 -48.3074 172.792 PRESSAVG: 2908200 -41.0766 31.537 25.8666 31.537 9.82872 44.1746 25.8665 44.1746 35.4109 GPRESSAVG: 2908200 -42.1164 32.3333 24.1863 32.2647 10.208 43.2113 27.3309 41.7255 35.5852 TIMING: 2908200 CPU: 8439.44, 0.00292973/step Wall: 8439.44, 0.00292973/step, 1.70233 hours remaining, 205.750000 MB of memory in use. ENERGY: 2908200 689.5135 2089.7235 1983.2492 100.6800 -205737.8243 17581.8754 0.0000 0.0000 34449.4828 -148843.2998 300.8559 -183292.7826 -148750.3324 299.7370 13.8969 44.0639 556198.6158 1.3877 1.2256 LDB: ============= START OF LOAD BALANCING ============== 8442.91 LDB: ============== END OF LOAD BALANCING =============== 8442.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8442.91 LDB: ============= START OF LOAD BALANCING ============== 8443.2 LDB: Largest compute 4820 load 0.030034 is 25.5% of average load 0.117790 LDB: Average compute 0.001716 is 1.5% of average load 0.117790 LDB: TIME 8443.2 LOAD: AVG 0.11779 MAX 0.178402 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.551 MB LDB: TIME 8443.2 LOAD: AVG 0.11779 MAX 0.178402 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: TIME 8443.2 LOAD: AVG 0.11779 MAX 0.178402 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: ============== END OF LOAD BALANCING =============== 8443.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8443.21 PRESSURE: 2908400 -100.75 149.914 -26.2175 149.914 -82.7921 -25.5062 -26.2185 -25.507 3.97764 GPRESSURE: 2908400 -98.2357 214.005 28.2558 92.7578 -25.5931 -5.33383 -52.5672 -10.2331 28.8454 PRESSAVG: 2908400 -18.0062 41.7197 -46.479 41.7197 7.70157 12.1254 -46.4789 12.1254 -50.0895 GPRESSAVG: 2908400 -17.1986 40.6642 -43.7537 42.3117 7.83287 15.0498 -48.8087 11.0427 -50.574 TIMING: 2908400 CPU: 8440.03, 0.00297356/step Wall: 8440.03, 0.00297356/step, 1.72764 hours remaining, 206.136719 MB of memory in use. ENERGY: 2908400 727.8667 2133.6515 1959.1628 109.3533 -205784.6325 17728.0114 0.0000 0.0000 34241.1631 -148885.4237 299.0366 -183126.5868 -148786.2989 299.3313 -59.8547 -31.6611 557002.1774 -20.1314 -19.9799 PRESSURE: 2908600 97.6249 -98.0177 -125.607 -98.0184 -19.2997 65.4992 -125.608 65.4994 -51.9062 GPRESSURE: 2908600 96.163 -178.952 -139.223 -31.5027 79.8983 6.20647 -133.196 34.6026 -59.6803 PRESSAVG: 2908600 71.7668 3.56058 -5.40944 3.56056 9.36188 -29.0496 -5.40942 -29.0496 -31.7159 GPRESSAVG: 2908600 71.652 4.87268 -5.50802 3.87802 8.73403 -31.5807 -6.13644 -24.2336 -31.1246 TIMING: 2908600 CPU: 8440.62, 0.00290453/step Wall: 8440.62, 0.00290453/step, 1.68737 hours remaining, 206.796875 MB of memory in use. ENERGY: 2908600 733.7795 2108.6130 1980.3180 112.7326 -205682.9686 17785.4544 0.0000 0.0000 34282.2367 -148679.8345 299.3953 -182962.0712 -148581.6778 300.2190 8.8063 38.7937 557562.1595 16.4709 16.4205 PRESSURE: 2908800 333.62 -32.6785 -73.5148 -32.6781 24.4135 14.3469 -73.5148 14.348 140.78 GPRESSURE: 2908800 348.946 13.8662 -151.13 -111.141 92.3223 -4.16689 -63.5043 11.1183 168.767 PRESSAVG: 2908800 69.5388 -34.8382 10.5697 -34.8382 22.9676 36.4128 10.5697 36.4128 -69.5086 GPRESSAVG: 2908800 69.8221 -35.8365 11.1095 -34.8242 23.5079 36.6518 10.975 35.2623 -69.8398 TIMING: 2908800 CPU: 8441.2, 0.0029077/step Wall: 8441.2, 0.0029077/step, 1.68905 hours remaining, 206.796875 MB of memory in use. ENERGY: 2908800 759.4847 2009.3661 1978.1206 132.1478 -205822.7706 17829.8408 0.0000 0.0000 34459.9587 -148653.8519 300.9474 -183113.8105 -148565.2300 300.2379 166.2712 203.3453 556473.3566 7.6660 7.8301 PRESSURE: 2909000 -69.9994 -72.7019 10.729 -72.704 -13.3288 72.2835 10.7288 72.2841 -282.358 GPRESSURE: 2909000 -27.8566 -51.8958 31.9849 -50.75 -23.0775 87.9296 -28.5052 -2.25527 -225.922 PRESSAVG: 2909000 25.7675 39.1159 -41.5504 39.116 2.82542 -32.2127 -41.5504 -32.2126 -13.0398 GPRESSAVG: 2909000 26.3986 39.2564 -41.9906 38.2928 2.1119 -30.4621 -39.1268 -34.6957 -13.1549 TIMING: 2909000 CPU: 8441.78, 0.00290895/step Wall: 8441.78, 0.00290895/step, 1.68961 hours remaining, 206.808594 MB of memory in use. ENERGY: 2909000 752.3145 2101.8707 1990.9552 119.1620 -205841.8405 17652.0256 0.0000 0.0000 34410.3213 -148815.1913 300.5139 -183225.5126 -148720.4378 300.8684 -121.8953 -92.2853 558662.6837 5.1844 5.1185 PRESSURE: 2909200 -158.27 83.332 13.8103 83.3337 -219.468 173.607 13.8082 173.606 -166.713 GPRESSURE: 2909200 -134.479 52.4841 34.9008 102.221 -200.518 195.019 33.1233 156.248 -122.719 PRESSAVG: 2909200 98.8601 29.3565 20.1171 29.3565 -113.37 25.6148 20.1172 25.6148 5.90109 GPRESSAVG: 2909200 98.4143 30.3712 18.6711 29.7224 -113.654 24.5212 20.0148 28.7295 6.46618 TIMING: 2909200 CPU: 8442.36, 0.00292262/step Wall: 8442.36, 0.00292262/step, 1.69739 hours remaining, 206.808594 MB of memory in use. ENERGY: 2909200 770.7493 2143.1614 1967.1005 131.1740 -205538.4213 17634.8300 0.0000 0.0000 34398.1726 -148493.2335 300.4078 -182891.4061 -148401.1958 300.4390 -181.4837 -152.5718 559385.8442 -2.8696 -2.9245 PRESSURE: 2909400 -139.545 -55.8694 91.1292 -55.8699 -313.497 -75.6582 91.1297 -75.6562 -238.472 GPRESSURE: 2909400 -110.46 -155.217 141.155 38.1104 -298.35 -62.6 85.2043 -78.1448 -189.025 PRESSAVG: 2909400 -0.657567 -1.07937 -38.6889 -1.07941 -39.8453 87.2247 -38.6888 87.2245 12.5743 GPRESSAVG: 2909400 -1.21053 -1.52481 -36.248 -1.98633 -40.226 87.7913 -39.9287 86.8827 13.4559 TIMING: 2909400 CPU: 8442.95, 0.00291953/step Wall: 8442.95, 0.00291953/step, 1.69543 hours remaining, 206.808594 MB of memory in use. ENERGY: 2909400 738.9176 2113.2883 1922.8082 112.9137 -205459.6483 17494.5609 0.0000 0.0000 34382.8844 -148694.2752 300.2743 -183077.1596 -148593.6811 301.1128 -230.5045 -199.2782 560472.0255 -9.3095 -9.3269 PRESSURE: 2909600 -55.8919 -11.1577 58.7425 -11.158 -125.223 -65.7508 58.7435 -65.7516 -119.692 GPRESSURE: 2909600 -22.95 -77.4508 31.342 0.841983 -100.573 -66.4727 46.221 -90.7914 -80.824 PRESSAVG: 2909600 -22.0518 -4.49042 29.9575 -4.49044 16.4917 44.2347 29.9575 44.2346 30.3198 GPRESSAVG: 2909600 -22.1661 -4.49007 27.8144 -4.0035 17.7374 44.7335 30.5129 43.0395 29.122 TIMING: 2909600 CPU: 8443.53, 0.00289123/step Wall: 8443.53, 0.00289123/step, 1.67884 hours remaining, 206.808594 MB of memory in use. ENERGY: 2909600 719.2819 2165.6233 1966.2042 101.7025 -205544.6362 17529.4454 0.0000 0.0000 34256.4282 -148805.9506 299.1699 -183062.3788 -148698.9124 300.1064 -100.2688 -68.1157 557463.5594 8.2532 8.2311 PRESSURE: 2909800 -162.559 -44.1569 -108.345 -44.1565 -49.2046 48.707 -108.344 48.7065 -30.6715 GPRESSURE: 2909800 -154.679 -41.9179 -103.371 -27.663 -34.4797 42.5939 -68.7947 50.7298 43.3229 PRESSAVG: 2909800 73.9607 -34.7219 -8.77533 -34.7218 -25.4707 19.003 -8.77527 19.003 12.6221 GPRESSAVG: 2909800 73.24 -35.5895 -8.00553 -34.6993 -26.2549 17.6844 -8.63339 19.2208 14.1401 TIMING: 2909800 CPU: 8444.11, 0.00291826/step Wall: 8444.11, 0.00291826/step, 1.69438 hours remaining, 206.808594 MB of memory in use. ENERGY: 2909800 717.8667 2127.6664 1972.7609 109.6932 -205311.1106 17484.9246 0.0000 0.0000 34348.4016 -148549.7971 299.9731 -182898.1988 -148458.2204 300.2534 -80.8118 -48.6121 558703.9146 20.3707 20.3750 PRESSURE: 2910000 -31.687 -120.672 61.5299 -120.672 71.2441 -27.8249 61.5304 -27.8256 197.114 GPRESSURE: 2910000 60.1817 -126.291 -9.94403 -96.1951 111.757 -57.0004 100.746 -23.1448 162.908 PRESSAVG: 2910000 -36.0791 -78.4071 0.138843 -78.4071 16.736 2.08222 0.138867 2.08208 -3.13896 GPRESSAVG: 2910000 -33.8596 -80.9247 0.853614 -75.8412 16.759 1.97948 -0.205787 2.88724 -5.3795 TIMING: 2910000 CPU: 8444.69, 0.00289805/step Wall: 8444.69, 0.00289805/step, 1.68248 hours remaining, 206.808594 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: 2910000 753.4721 2113.3634 1957.4976 113.6246 -205608.9235 17886.3304 0.0000 0.0000 34206.6104 -148578.0249 298.7348 -182784.6353 -148485.3877 300.6498 78.8903 111.6155 559244.4182 -7.4940 -7.4934 PRESSURE: 2910200 -193.998 -29.4305 160.684 -29.4309 17.6029 147.93 160.684 147.932 -282.358 GPRESSURE: 2910200 -87.8907 -121.682 208.539 19.9891 8.43142 125.637 164.969 123.609 -290.291 PRESSAVG: 2910200 8.7532 -33.736 -15.627 -33.736 -2.81134 -17.9173 -15.627 -17.9173 4.62424 GPRESSAVG: 2910200 7.93503 -31.5257 -15.8346 -32.9232 -2.94916 -17.5825 -14.8308 -17.7063 5.32903 TIMING: 2910200 CPU: 8445.27, 0.0029212/step Wall: 8445.27, 0.0029212/step, 1.69576 hours remaining, 206.808594 MB of memory in use. ENERGY: 2910200 751.8007 2087.8962 1960.0903 109.7528 -205543.0084 17498.4389 0.0000 0.0000 34427.0275 -148708.0020 300.6598 -183135.0295 -148608.7068 301.0786 -152.9179 -123.2500 559531.8790 3.5220 3.4383 PRESSURE: 2910400 -114.784 -144.781 -35.3059 -144.781 -226.502 89.1759 -35.3051 89.1756 190.999 GPRESSURE: 2910400 -21.0752 -193.192 -82.8026 -73.8892 -181.311 39.8501 -19.9769 28.0589 161.045 PRESSAVG: 2910400 -5.26854 -43.7139 -16.9673 -43.7138 54.0975 -15.2228 -16.9673 -15.2228 -34.9724 GPRESSAVG: 2910400 -5.61937 -42.3862 -16.4265 -46.7557 54.389 -15.4755 -18.9386 -16.7005 -35.0877 TIMING: 2910400 CPU: 8445.85, 0.0029017/step Wall: 8445.85, 0.0029017/step, 1.68428 hours remaining, 206.808594 MB of memory in use. ENERGY: 2910400 729.2223 2067.3568 1922.5850 120.1335 -205580.5145 17674.7725 0.0000 0.0000 34246.0657 -148820.3786 299.0794 -183066.4444 -148724.4971 300.3096 -50.0956 -13.7803 559701.1179 4.6188 4.5606 PRESSURE: 2910600 -79.6541 180.591 40.1791 180.592 -57.8023 144.858 40.178 144.856 302.681 GPRESSURE: 2910600 -43.2159 123.444 60.1496 187.598 -4.94121 88.588 31.7176 103.889 310.824 PRESSAVG: 2910600 -58.2595 -14.7242 -45.13 -14.7241 39.8526 42.6227 -45.13 42.6227 26.1815 GPRESSAVG: 2910600 -57.4703 -16.3351 -46.1516 -15.0506 40.59 42.3984 -42.4993 43.3401 25.2645 TIMING: 2910600 CPU: 8446.44, 0.00291453/step Wall: 8446.44, 0.00291453/step, 1.69156 hours remaining, 206.808594 MB of memory in use. ENERGY: 2910600 728.8829 2116.2590 1980.9742 116.6863 -206156.1293 17917.7706 0.0000 0.0000 34440.4305 -148855.1259 300.7768 -183295.5564 -148750.8382 299.9096 55.0750 87.5557 557736.9670 2.5915 2.7947 PRESSURE: 2910800 -207.75 63.437 59.4514 63.4375 -161.524 89.5278 59.4513 89.5289 -104.757 GPRESSURE: 2910800 -180.837 113.493 70.1442 15.2767 -158.501 119.602 -23.7709 116.939 -36.4409 PRESSAVG: 2910800 -44.2456 -34.1091 9.46247 -34.1093 19.3083 38.5238 9.4625 38.524 52.7893 GPRESSAVG: 2910800 -44.2282 -32.1817 9.86178 -34.6215 18.2695 40.7093 6.97108 38.141 53.7924 TIMING: 2910800 CPU: 8447.02, 0.00293757/step Wall: 8447.02, 0.00293757/step, 1.70477 hours remaining, 206.808594 MB of memory in use. ENERGY: 2910800 761.6150 2149.8896 1984.1021 106.8675 -205756.8033 17475.8233 0.0000 0.0000 34398.2799 -148880.2259 300.4087 -183278.5058 -148783.9725 300.3610 -158.0099 -125.2595 557903.3342 9.2840 9.2779 PRESSURE: 2911000 85.7487 37.5115 -12.1646 37.5101 77.9449 -20.4855 -12.1642 -20.4865 -114.267 GPRESSURE: 2911000 81.4286 110.079 17.1134 20.2547 116.593 -26.1783 9.20856 -26.3954 -56.5359 PRESSAVG: 2911000 10.6442 59.9305 -42.4643 59.9305 20.5684 41.1722 -42.4643 41.1722 -44.5292 GPRESSAVG: 2911000 9.72996 60.8237 -42.1804 59.5025 20.9111 39.2164 -41.5626 40.3909 -43.6673 TIMING: 2911000 CPU: 8447.61, 0.00292775/step Wall: 8447.61, 0.00292775/step, 1.69891 hours remaining, 206.808594 MB of memory in use. ENERGY: 2911000 737.2289 2049.9804 1980.5902 117.5399 -205770.2399 17711.5811 0.0000 0.0000 34300.6953 -148872.6241 299.5565 -183173.3194 -148778.2859 300.1522 16.4756 47.1618 557646.2946 -4.4389 -4.3421 PRESSURE: 2911200 -108.744 -48.4866 1.42751 -48.4858 19.5333 167.058 1.42806 167.059 -8.43497 GPRESSURE: 2911200 -59.8299 -56.0137 34.0025 -14.8336 68.1966 118.858 -18.5141 189.928 -7.32684 PRESSAVG: 2911200 -15.5996 5.78764 10.3625 5.7877 0.069118 -20.0562 10.3625 -20.0562 38.0937 GPRESSAVG: 2911200 -14.8276 4.09976 10.5996 7.49124 -0.122431 -18.8787 9.7107 -18.3939 37.5914 TIMING: 2911200 CPU: 8448.2, 0.00293488/step Wall: 8448.2, 0.00293488/step, 1.70288 hours remaining, 206.808594 MB of memory in use. ENERGY: 2911200 708.3162 2104.0303 1966.4163 109.3508 -205884.3540 17785.9128 0.0000 0.0000 34341.7022 -148868.6252 299.9146 -183210.3275 -148772.4454 300.1694 -32.5484 0.3466 557487.6004 7.5211 7.5471 PRESSURE: 2911400 -72.096 -43.3978 -86.485 -43.3978 15.4357 37.6682 -86.4858 37.6688 -65.4432 GPRESSURE: 2911400 -17.9149 -41.6982 -66.7784 -83.8373 45.1012 -19.0305 -110.638 128.699 -50.2727 PRESSAVG: 2911400 -26.2484 -60.4544 -27.303 -60.4542 -42.268 -9.33755 -27.303 -9.33753 46.334 GPRESSAVG: 2911400 -26.7114 -61.7443 -28.4316 -60.7499 -41.8712 -9.1824 -28.1783 -8.3294 46.5622 TIMING: 2911400 CPU: 8448.78, 0.00291186/step Wall: 8448.78, 0.00291186/step, 1.68937 hours remaining, 206.808594 MB of memory in use. ENERGY: 2911400 756.4323 2092.1379 1949.6899 115.7617 -206069.8618 17693.3081 0.0000 0.0000 34550.3456 -148912.1864 301.7368 -183462.5320 -148821.2615 300.0429 -40.7011 -7.6955 556721.5589 -7.3941 -7.3401 PRESSURE: 2911600 -182.738 -78.6535 18.2425 -78.6527 -203.562 -115.842 18.2413 -115.842 -10.8528 GPRESSURE: 2911600 -121.871 -73.0268 -61.5774 -89.1847 -191.711 -90.0874 86.1849 -34.4645 13.3365 PRESSAVG: 2911600 7.71258 -9.29022 62.059 -9.29023 -18.6152 30.7911 62.059 30.7911 0.461597 GPRESSAVG: 2911600 7.8195 -10.7975 63.3208 -8.54035 -19.3217 30.8364 64.009 29.7316 0.902762 TIMING: 2911600 CPU: 8449.36, 0.00291315/step Wall: 8449.36, 0.00291315/step, 1.68995 hours remaining, 206.808594 MB of memory in use. ENERGY: 2911600 751.6048 2106.3921 1939.4385 113.6786 -205638.6940 17605.3119 0.0000 0.0000 34161.6691 -148960.5991 298.3424 -183122.2682 -148860.5949 300.2403 -132.3843 -100.0818 557852.3983 -3.4803 -3.5332 PRESSURE: 2911800 -110.803 136.276 -4.45576 136.277 20.9667 84.4533 -4.45511 84.4517 -387.415 GPRESSURE: 2911800 -89.4011 149.322 -31.9701 101.338 17.7004 123.759 10.2991 -5.26 -297.329 PRESSAVG: 2911800 -26.6797 -37.1492 17.8985 -37.1491 50.9816 9.30197 17.8985 9.30201 -17.5276 GPRESSAVG: 2911800 -26.7448 -32.6278 18.2699 -37.8173 51.2253 11.3644 16.7313 9.09612 -17.7959 TIMING: 2911800 CPU: 8449.94, 0.00290459/step Wall: 8449.94, 0.00290459/step, 1.68483 hours remaining, 206.808594 MB of memory in use. ENERGY: 2911800 707.5040 2082.1075 1978.5340 117.7090 -205346.3391 17429.6907 0.0000 0.0000 34204.7887 -148826.0051 298.7189 -183030.7939 -148729.7217 299.9780 -159.0840 -123.0099 559291.5935 2.2581 2.2282 PRESSURE: 2912000 91.4728 -44.3027 -20.4909 -44.3034 -151.083 129.316 -20.4927 129.316 167.071 GPRESSURE: 2912000 85.8767 -30.8834 -79.9164 -93.5383 -84.2243 71.0351 -15.9998 74.4889 192.138 PRESSAVG: 2912000 1.10097 27.2477 -37.1031 27.2476 9.83928 0.0978892 -37.1031 0.0978991 1.34388 GPRESSAVG: 2912000 0.930742 25.6068 -37.362 27.1796 9.34008 -1.40536 -36.962 0.579838 2.32562 TIMING: 2912000 CPU: 8450.52, 0.00288411/step Wall: 8450.52, 0.00288411/step, 1.67279 hours remaining, 206.808594 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: 2912000 712.0630 2131.7327 1970.6251 104.4540 -205990.9957 17763.4458 0.0000 0.0000 34424.1858 -148884.4893 300.6350 -183308.6751 -148788.5234 300.2274 35.8202 64.5966 557402.4000 4.0947 4.1988 PRESSURE: 2912200 207.219 22.8186 64.7459 22.819 -158.726 -202.309 64.7463 -202.309 93.2624 GPRESSURE: 2912200 210.509 -46.9144 52.9441 49.4259 -131.371 -145.412 76.8935 -198.817 155.459 PRESSAVG: 2912200 -2.87177 -22.6643 22.0452 -22.6642 -2.12312 -14.7029 22.0453 -14.703 3.19671 GPRESSAVG: 2912200 -2.58637 -25.2491 22.5177 -21.3634 -3.00363 -14.4646 22.6454 -15.9533 4.14044 TIMING: 2912200 CPU: 8451.1, 0.00289469/step Wall: 8451.1, 0.00289469/step, 1.67876 hours remaining, 206.808594 MB of memory in use. ENERGY: 2912200 716.0438 2142.7428 1960.3623 110.8836 -205824.2056 17579.7223 0.0000 0.0000 34517.0770 -148797.3737 301.4462 -183314.4507 -148708.8153 299.8761 47.2521 78.1991 556894.8779 -0.5994 -0.4832 LDB: ============= START OF LOAD BALANCING ============== 8454.57 LDB: ============== END OF LOAD BALANCING =============== 8454.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8454.57 LDB: ============= START OF LOAD BALANCING ============== 8454.86 LDB: Largest compute 4820 load 0.029701 is 25.2% of average load 0.117756 LDB: Average compute 0.001730 is 1.5% of average load 0.117756 LDB: TIME 8454.86 LOAD: AVG 0.117756 MAX 0.177763 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.652 MB LDB: TIME 8454.86 LOAD: AVG 0.117756 MAX 0.177763 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: TIME 8454.86 LOAD: AVG 0.117756 MAX 0.177763 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8454.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8454.87 PRESSURE: 2912400 -29.3818 81.0675 158.159 81.0682 52.0365 121.026 158.158 121.028 56.8284 GPRESSURE: 2912400 91.86 108.118 182.371 -62.3547 80.4108 60.7934 154.357 198.849 7.14808 PRESSAVG: 2912400 26.8343 -0.520878 46.3608 -0.520818 -26.9437 -19.0373 46.3607 -19.0373 -15.1467 GPRESSAVG: 2912400 27.438 3.12921 46.3381 -1.31398 -25.1682 -20.6979 45.4076 -17.0379 -17.5258 TIMING: 2912400 CPU: 8451.69, 0.00297596/step Wall: 8451.69, 0.00297596/step, 1.72573 hours remaining, 207.968750 MB of memory in use. ENERGY: 2912400 727.8256 2086.7743 1991.8702 106.6459 -205890.9897 17763.9670 0.0000 0.0000 34207.7996 -149006.1071 298.7452 -183213.9067 -148916.1459 299.8298 26.4944 59.8063 556818.6907 -5.0854 -5.0853 PRESSURE: 2912600 -195.511 103.656 -19.0487 103.655 224.771 -109.864 -19.0487 -109.864 -84.3631 GPRESSURE: 2912600 -124.395 67.0702 -49.039 72.0704 214.26 -137.265 -11.2042 11.3805 -50.7906 PRESSAVG: 2912600 41.3042 -4.695 3.02944 -4.69507 64.5226 12.3068 3.02949 12.3069 -95.3008 GPRESSAVG: 2912600 40.5852 -5.95725 1.1464 -5.066 63.576 15.9243 3.77399 9.60866 -93.5178 TIMING: 2912600 CPU: 8452.28, 0.00292181/step Wall: 8452.28, 0.00292181/step, 1.69416 hours remaining, 208.171875 MB of memory in use. ENERGY: 2912600 734.9323 2081.8978 1979.7022 110.9113 -206182.5547 17931.0792 0.0000 0.0000 34300.1202 -149043.9117 299.5515 -183344.0319 -148949.0466 299.3480 -18.3678 13.0248 557442.6457 3.5086 3.5478 PRESSURE: 2912800 -81.6785 41.1601 32.092 41.1602 -165.717 9.99156 32.0911 9.99039 39.721 GPRESSURE: 2912800 -19.6009 71.9919 66.9947 56.3591 -156.823 -8.49315 -43.4568 27.4708 52.7438 PRESSAVG: 2912800 53.5396 -6.80968 -26.1251 -6.80963 25.2056 43.351 -26.125 43.3511 -1.65612 GPRESSAVG: 2912800 53.3072 -4.66618 -27.2954 -7.57122 25.468 41.4477 -27.0749 44.4897 -1.50847 TIMING: 2912800 CPU: 8452.86, 0.00290324/step Wall: 8452.86, 0.00290324/step, 1.68324 hours remaining, 208.171875 MB of memory in use. ENERGY: 2912800 765.8533 2068.3701 1970.9069 118.3532 -206177.1577 17741.5909 0.0000 0.0000 34360.3111 -149151.7722 300.0771 -183512.0833 -149044.7537 299.5643 -69.2250 -41.2265 556840.6630 25.6964 25.7556 PRESSURE: 2913000 164.628 -66.4351 55.1805 -66.4341 -107.829 87.5815 55.1808 87.5805 23.3036 GPRESSURE: 2913000 165.49 18.5455 30.6852 -80.5496 -87.6042 73.6422 -36.3004 129.249 101.315 PRESSAVG: 2913000 -27.3584 -34.8057 -2.52832 -34.8057 0.366744 -2.77555 -2.52826 -2.77566 34.5137 GPRESSAVG: 2913000 -28.155 -37.7747 -0.255831 -33.5484 2.13326 -3.53131 -2.48691 -3.04258 33.3614 TIMING: 2913000 CPU: 8453.44, 0.00290633/step Wall: 8453.44, 0.00290633/step, 1.68487 hours remaining, 208.171875 MB of memory in use. ENERGY: 2913000 729.1475 2056.2099 1960.8749 116.5296 -206369.4554 17860.1954 0.0000 0.0000 34356.7152 -149289.7830 300.0457 -183646.4982 -149197.6726 298.9367 26.7009 59.7335 557502.9887 2.5073 2.4466 PRESSURE: 2913200 151.775 -31.0813 17.6754 -31.0812 -61.5923 146.51 17.6752 146.509 265.992 GPRESSURE: 2913200 150.041 -3.46794 64.6871 -63.1015 20.7998 125.821 -48.4974 146.393 289.288 PRESSAVG: 2913200 19.0708 -5.0018 -1.42081 -5.0018 -15.0237 65.2053 -1.42073 65.2054 -12.5516 GPRESSAVG: 2913200 20.2296 -3.38302 -0.967146 -5.54331 -16.7156 64.3873 -1.20278 67.6525 -12.1568 TIMING: 2913200 CPU: 8454.02, 0.00290052/step Wall: 8454.02, 0.00290052/step, 1.68133 hours remaining, 208.316406 MB of memory in use. ENERGY: 2913200 703.4102 2099.6162 1963.5095 129.0822 -206316.2564 17848.8209 0.0000 0.0000 34160.1276 -149411.6897 298.3289 -183571.8173 -149310.9975 299.0694 118.7248 153.3764 557922.2328 -2.8348 -2.8810 PRESSURE: 2913400 -20.0208 104.031 49.1432 104.031 -365.957 160.425 49.144 160.425 -328.945 GPRESSURE: 2913400 -42.1903 151.799 -68.4848 20.5798 -342.274 170.326 -16.2305 138.134 -229.322 PRESSAVG: 2913400 29.2324 -29.2977 -63.687 -29.2978 -71.1023 -54.206 -63.6871 -54.2059 -18.4107 GPRESSAVG: 2913400 29.3559 -29.0364 -64.4882 -29.2475 -70.4 -53.7565 -62.619 -55.5196 -18.9351 TIMING: 2913400 CPU: 8454.6, 0.00289994/step Wall: 8454.6, 0.00289994/step, 1.68084 hours remaining, 208.316406 MB of memory in use. ENERGY: 2913400 729.3961 2075.4075 1932.2592 100.2033 -206390.8207 17745.2480 0.0000 0.0000 34423.6757 -149384.6309 300.6305 -183808.3065 -149287.2686 298.5991 -238.3074 -204.5956 559361.0718 -20.0935 -19.9931 PRESSURE: 2913600 196.049 -93.2269 111.663 -93.2279 209.669 28.2707 111.662 28.2709 -232.233 GPRESSURE: 2913600 186.567 -14.3689 58.7885 -162.898 241.56 36.2 153.759 -35.8174 -162.206 PRESSAVG: 2913600 31.5559 -40.929 27.5468 -40.929 -21.0361 -4.32258 27.5467 -4.32246 1.52589 GPRESSAVG: 2913600 30.5344 -41.225 27.3274 -39.7426 -20.5415 -3.53776 27.9607 -4.32973 1.79025 TIMING: 2913600 CPU: 8455.18, 0.00292311/step Wall: 8455.18, 0.00292311/step, 1.69411 hours remaining, 208.316406 MB of memory in use. ENERGY: 2913600 724.7828 2104.1195 1940.1813 107.7110 -206526.3283 18159.7033 0.0000 0.0000 34196.0153 -149293.8151 298.6423 -183489.8304 -149201.9443 298.6545 57.8284 88.6405 558465.5043 4.0152 3.9277 PRESSURE: 2913800 -27.7991 18.1324 -62.2888 18.1339 -219.328 40.0681 -62.2903 40.0673 -126.611 GPRESSURE: 2913800 11.6315 -47.6007 -83.8609 1.93947 -166.099 -39.1235 -31.5867 19.8825 -119.325 PRESSAVG: 2913800 109.76 -35.0984 13.0864 -35.0983 7.55909 9.83616 13.0864 9.83614 -42.8012 GPRESSAVG: 2913800 110.825 -37.339 13.1719 -36.4569 6.12565 6.59494 13.5285 8.7705 -42.1752 TIMING: 2913800 CPU: 8455.77, 0.00291617/step Wall: 8455.77, 0.00291616/step, 1.68992 hours remaining, 208.316406 MB of memory in use. ENERGY: 2913800 766.8622 2097.2444 1936.8661 111.7115 -206331.7153 17843.9322 0.0000 0.0000 34212.9046 -149362.1943 298.7898 -183575.0989 -149265.9602 298.8974 -124.5795 -91.2643 559817.7776 24.8391 24.9252 PRESSURE: 2914000 278.093 22.5806 -98.8211 22.5808 199.266 45.0976 -98.8207 45.0979 -167.585 GPRESSURE: 2914000 295.095 -35.1455 -86.1321 -12.9873 198.753 105.445 -99.226 -23.6981 -94.5534 PRESSAVG: 2914000 -4.38489 -78.4648 -55.4552 -78.4648 48.7694 -29.0359 -55.4552 -29.0359 -59.4011 GPRESSAVG: 2914000 -3.87823 -78.1508 -54.4941 -78.5878 49.1558 -25.9342 -56.8523 -28.6341 -60.3156 TIMING: 2914000 CPU: 8456.35, 0.00291821/step Wall: 8456.35, 0.00291821/step, 1.69094 hours remaining, 208.316406 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: 2914000 740.8806 2060.9770 1958.0157 120.5762 -206486.9236 17952.6324 0.0000 0.0000 34135.9506 -149517.8911 298.1177 -183653.8417 -149423.1936 298.7621 103.2580 133.0981 558018.1659 -5.0055 -5.0127 PRESSURE: 2914200 308.304 -207.352 98.6934 -207.35 189.385 52.4684 98.6945 52.4669 -21.1614 GPRESSURE: 2914200 308.539 -202.734 60.455 -278.857 223.686 -35.0276 92.9571 98.1561 28.5531 PRESSAVG: 2914200 -4.57286 -55.0896 21.283 -55.0897 -30.4583 -16.6066 21.2829 -16.6068 42.6415 GPRESSAVG: 2914200 -6.47999 -53.9764 21.576 -55.2352 -29.624 -17.4758 20.9954 -15.4739 43.3323 TIMING: 2914200 CPU: 8456.94, 0.00292918/step Wall: 8456.94, 0.00292918/step, 1.69714 hours remaining, 208.316406 MB of memory in use. ENERGY: 2914200 696.0157 2172.0864 1978.0672 103.6265 -206748.7848 18026.1431 0.0000 0.0000 34243.0043 -149529.8416 299.0527 -183772.8459 -149431.1877 298.2669 158.8426 186.9260 558500.4928 2.5368 2.4095 PRESSURE: 2914400 77.5382 210.251 85.7098 210.25 173.686 43.0482 85.7101 43.0489 82.2998 GPRESSURE: 2914400 118.924 159.316 0.822661 216.407 109.328 23.2832 70.8551 6.61175 198.079 PRESSAVG: 2914400 10.3988 0.947385 18.7046 0.947299 -22.4805 65.7433 18.7046 65.7436 -21.1449 GPRESSAVG: 2914400 12.0856 -0.350155 18.6745 2.92141 -24.4699 63.8315 17.9133 66.5818 -20.6507 TIMING: 2914400 CPU: 8457.52, 0.00291829/step Wall: 8457.52, 0.00291829/step, 1.69067 hours remaining, 208.382812 MB of memory in use. ENERGY: 2914400 747.3465 2119.7383 1935.9441 133.5922 -206713.0265 18094.5101 0.0000 0.0000 34210.7798 -149471.1155 298.7712 -183681.8953 -149369.6975 297.9639 111.1746 142.1105 556613.7260 -11.0755 -11.0117 PRESSURE: 2914600 88.9216 -146.44 239.133 -146.44 192.547 7.85048 239.135 7.84829 -339.026 GPRESSURE: 2914600 125.308 -101.639 203.137 -124.439 237.215 -141.227 177.526 87.9945 -325.777 PRESSAVG: 2914600 22.2186 20.1728 42.5008 20.1728 77.1817 8.19874 42.5007 8.19875 -56.0995 GPRESSAVG: 2914600 21.9782 23.346 41.2936 18.421 77.9238 8.39841 44.9442 8.91265 -56.4803 TIMING: 2914600 CPU: 8458.11, 0.00292784/step Wall: 8458.11, 0.00292784/step, 1.69604 hours remaining, 208.382812 MB of memory in use. ENERGY: 2914600 727.9506 2086.2996 1962.9609 125.9022 -206453.0162 17776.8146 0.0000 0.0000 34374.7754 -149398.3129 300.2035 -183773.0883 -149301.7103 298.7070 -19.1859 12.2487 557367.2337 14.4336 14.4739 PRESSURE: 2914800 -91.0906 -155.262 -142.799 -155.262 85.5035 -64.9253 -142.8 -64.9261 89.3876 GPRESSURE: 2914800 -40.1633 -86.5871 -160.373 -140.938 131.687 2.08674 -133.554 -80.9254 110.002 PRESSAVG: 2914800 -25.5977 22.2228 -33.6618 22.2227 -2.57751 47.3489 -33.6618 47.3489 3.9308 GPRESSAVG: 2914800 -25.7868 19.5608 -31.9192 21.1774 -1.31494 50.7516 -35.3498 43.1357 3.23528 TIMING: 2914800 CPU: 8458.69, 0.00290005/step Wall: 8458.69, 0.00290005/step, 1.67977 hours remaining, 208.382812 MB of memory in use. ENERGY: 2914800 737.7262 2088.4880 1967.7573 113.5260 -206303.3562 17775.2527 0.0000 0.0000 34229.3944 -149391.2115 298.9338 -183620.6059 -149300.8996 298.7423 27.9335 67.1752 555337.2247 -8.0815 -7.9555 PRESSURE: 2915000 -121.176 2.20072 -279.965 2.20097 -85.6511 -25.7208 -279.964 -25.7217 -154.784 GPRESSURE: 2915000 -119.466 -50.9915 -244.044 16.9856 -34.688 -77.9434 -316.665 -12.2433 -124.717 PRESSAVG: 2915000 -48.0671 -15.22 -14.1156 -15.2199 49.903 14.1798 -14.1157 14.1798 26.3938 GPRESSAVG: 2915000 -48.8701 -15.7324 -15.5364 -14.9489 50.6633 12.8045 -12.5789 15.0528 26.592 TIMING: 2915000 CPU: 8459.27, 0.0029142/step Wall: 8459.27, 0.0029142/step, 1.68781 hours remaining, 208.382812 MB of memory in use. ENERGY: 2915000 714.3623 2104.1407 1958.7421 109.0276 -205993.8217 17529.5856 0.0000 0.0000 34221.6687 -149356.2946 298.8663 -183577.9634 -149250.9142 299.1287 -120.5371 -92.9567 556512.6004 9.4099 9.4617 PRESSURE: 2915200 44.9387 -9.87715 104.655 -9.8774 -138.053 -5.97008 104.655 -5.97139 -66.6607 GPRESSURE: 2915200 57.3657 -19.3648 48.797 50.5802 -90.0919 -51.6879 110.907 89.9073 -30.2503 PRESSAVG: 2915200 -18.4903 -4.62123 -30.2474 -4.62123 19.5665 -25.3331 -30.2474 -25.3331 8.50669 GPRESSAVG: 2915200 -18.5535 -2.85104 -30.5856 -3.5749 19.4409 -27.3179 -30.9408 -23.969 8.40367 TIMING: 2915200 CPU: 8459.85, 0.00289864/step Wall: 8459.85, 0.00289864/step, 1.67864 hours remaining, 208.382812 MB of memory in use. ENERGY: 2915200 744.5567 2123.5591 1946.8644 117.4614 -205976.0522 17579.7748 0.0000 0.0000 34203.5066 -149260.3292 298.7077 -183463.8358 -149162.6520 299.1021 -53.2583 -20.9922 556037.4963 3.1943 3.0970 PRESSURE: 2915400 -9.79128 36.7448 47.6121 36.7439 11.2099 31.9459 47.611 31.9463 -359.066 GPRESSURE: 2915400 69.5034 34.7499 54.517 67.67 57.7843 54.6298 91.0589 89.576 -389.806 PRESSAVG: 2915400 -20.6125 -53.295 2.46621 -53.2949 6.85444 13.1595 2.46619 13.1596 -34.7115 GPRESSAVG: 2915400 -20.7514 -53.0502 2.59093 -52.89 6.74375 15.6672 2.15394 11.0859 -34.401 TIMING: 2915400 CPU: 8460.43, 0.00292061/step Wall: 8460.43, 0.00292061/step, 1.6912 hours remaining, 208.382812 MB of memory in use. ENERGY: 2915400 762.2598 2085.9853 1960.7708 125.6517 -206243.0386 17741.3145 0.0000 0.0000 34287.5283 -149279.5281 299.4415 -183567.0564 -149180.1052 298.6688 -119.2158 -87.5062 556964.8093 -16.1565 -16.1362 PRESSURE: 2915600 282.666 41.8319 33.8693 41.8312 36.1592 72.2388 33.8692 72.2372 54.518 GPRESSURE: 2915600 267.302 -11.5334 116.444 6.99268 84.4765 107.939 -43.4035 172.325 123.305 PRESSAVG: 2915600 47.7196 33.9056 -5.47274 33.9055 -19.8147 27.9862 -5.47279 27.9861 -21.3854 GPRESSAVG: 2915600 47.5227 31.9787 -3.80942 31.8545 -19.0397 28.081 -6.15876 27.8152 -21.7711 TIMING: 2915600 CPU: 8461.02, 0.00291856/step Wall: 8461.02, 0.00291856/step, 1.68985 hours remaining, 208.382812 MB of memory in use. ENERGY: 2915600 748.7572 2114.0901 1971.7661 99.6193 -206262.6062 17875.1851 0.0000 0.0000 34076.0116 -149377.1767 297.5943 -183453.1883 -149282.9443 298.7545 124.4477 158.3611 556861.3822 2.1732 2.2373 PRESSURE: 2915800 90.8593 57.016 -125.833 57.016 -97.7725 199.96 -125.833 199.959 16.3548 GPRESSURE: 2915800 120.615 87.7882 -36.6223 13.1733 -23.8366 146.141 -197.025 119.25 19.3331 PRESSAVG: 2915800 31.4685 28.9799 -4.21272 28.9798 -18.704 12.6448 -4.21267 12.6448 -15.7631 GPRESSAVG: 2915800 32.1686 29.9341 -4.48989 30.7642 -18.8025 12.2224 -2.81623 11.9363 -16.178 TIMING: 2915800 CPU: 8461.6, 0.00290897/step Wall: 8461.6, 0.00290897/step, 1.68413 hours remaining, 208.382812 MB of memory in use. ENERGY: 2915800 759.8754 2141.7663 1918.0692 101.1687 -206302.9443 17765.8594 0.0000 0.0000 34101.5260 -149514.6793 297.8171 -183616.2054 -149413.2414 298.7222 3.1472 38.7039 557217.4990 -0.9995 -0.9373 PRESSURE: 2916000 337.873 95.2876 117.616 95.2871 -48.0391 16.833 117.616 16.8325 212.14 GPRESSURE: 2916000 386.018 70.9234 153.502 143.748 -9.20899 61.945 127.652 -37.0728 232.565 PRESSAVG: 2916000 74.2637 5.18325 -51.4328 5.18326 -39.42 66.2007 -51.4327 66.2006 16.7743 GPRESSAVG: 2916000 74.1524 5.13495 -52.8553 5.59216 -39.4079 64.9262 -50.6617 67.5879 17.1059 TIMING: 2916000 CPU: 8462.18, 0.00291816/step Wall: 8462.18, 0.00291816/step, 1.68929 hours remaining, 208.382812 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: 2916000 767.0672 2097.4342 1962.0545 105.2025 -207004.7850 18309.4780 0.0000 0.0000 34181.1022 -149582.4465 298.5121 -183763.5487 -149487.3253 298.4900 167.3246 203.1245 556766.0131 17.2060 17.2834 PRESSURE: 2916200 223.575 4.78982 -26.0162 4.7895 12.0941 -67.2417 -26.0155 -67.2427 -169.291 GPRESSURE: 2916200 246.868 103.17 -14.0366 -93.5638 45.9452 -57.3975 -103.174 -80.1215 -127.282 PRESSAVG: 2916200 -22.0775 -2.3728 -13.1793 -2.37276 29.9241 -8.79824 -13.1793 -8.79836 11.9254 GPRESSAVG: 2916200 -21.2767 -1.9073 -12.9242 -5.30662 29.3022 -9.71357 -14.6015 -9.49889 12.2147 TIMING: 2916200 CPU: 8462.77, 0.00292092/step Wall: 8462.77, 0.00292092/step, 1.69073 hours remaining, 208.382812 MB of memory in use. ENERGY: 2916200 789.5597 2102.5237 1964.4206 114.1745 -206714.8448 18118.9092 0.0000 0.0000 34114.4804 -149510.7766 297.9302 -183625.2570 -149408.4716 299.3392 22.1262 55.1773 557814.6959 6.5907 6.7467 LDB: ============= START OF LOAD BALANCING ============== 8466.23 LDB: ============== END OF LOAD BALANCING =============== 8466.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8466.23 LDB: ============= START OF LOAD BALANCING ============== 8466.53 LDB: Largest compute 4820 load 0.028842 is 24.5% of average load 0.117939 LDB: Average compute 0.001723 is 1.5% of average load 0.117939 LDB: TIME 8466.53 LOAD: AVG 0.117939 MAX 0.176726 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.652 MB LDB: TIME 8466.53 LOAD: AVG 0.117939 MAX 0.176726 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.652 MB LDB: TIME 8466.53 LOAD: AVG 0.117939 MAX 0.176726 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8466.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8466.53 PRESSURE: 2916400 -175.008 -50.5173 43.4316 -50.5178 121.923 149.985 43.4323 149.985 104.041 GPRESSURE: 2916400 -102.068 -32.2812 55.7083 -120.261 157.502 159.743 40.4381 165.088 102.043 PRESSAVG: 2916400 54.3747 -76.9122 33.6224 -76.9121 10.3232 26.897 33.6224 26.897 -102.896 GPRESSAVG: 2916400 53.6626 -77.7358 32.3438 -75.1043 10.7029 27.7818 36.4725 27.6267 -102.712 TIMING: 2916400 CPU: 8463.36, 0.00296409/step Wall: 8463.36, 0.00296409/step, 1.71555 hours remaining, 205.375000 MB of memory in use. ENERGY: 2916400 758.7368 2077.4702 1929.5353 109.2661 -206668.8922 18041.7733 0.0000 0.0000 34240.0702 -149512.0403 299.0270 -183752.1105 -149420.9819 298.3446 16.9852 52.4921 557754.2721 -12.7327 -12.7823 PRESSURE: 2916600 286.679 -130.451 186.836 -130.451 145.86 -56.3673 186.834 -56.3658 84.8522 GPRESSURE: 2916600 331.775 -53.4518 218.345 -178.308 206.809 3.2044 254.911 -123.395 72.7847 PRESSAVG: 2916600 18.4365 -7.32857 22.2293 -7.32857 45.7742 54.0667 22.2293 54.0667 -123.295 GPRESSAVG: 2916600 18.4457 -6.82551 23.1917 -9.5177 47.2428 54.5024 19.9278 52.5045 -124.777 TIMING: 2916600 CPU: 8463.95, 0.00293183/step Wall: 8463.95, 0.00293183/step, 1.69671 hours remaining, 205.515625 MB of memory in use. ENERGY: 2916600 707.8216 2121.8173 1939.0169 112.0169 -206527.7036 18072.2441 0.0000 0.0000 34313.5868 -149261.2000 299.6691 -183574.7868 -149172.4715 298.6869 172.4635 203.7895 556598.0050 -19.6947 -19.6960 PRESSURE: 2916800 184.864 -41.3203 194.3 -41.3196 -65.1638 126.535 194.299 126.537 -90.4472 GPRESSURE: 2916800 151.518 -71.5263 151.516 -13.2024 -25.7413 85.4654 204.527 134.098 -4.50931 PRESSAVG: 2916800 -11.2177 -29.6031 22.5775 -29.6032 39.933 -13.8922 22.5776 -13.8923 -41.0268 GPRESSAVG: 2916800 -11.8556 -30.193 22.9151 -26.2371 38.3416 -13.1452 20.7468 -13.947 -38.7324 TIMING: 2916800 CPU: 8464.53, 0.00292726/step Wall: 8464.53, 0.00292726/step, 1.69391 hours remaining, 205.515625 MB of memory in use. ENERGY: 2916800 768.9926 2130.6431 1960.5937 119.5734 -206262.3589 17707.1587 0.0000 0.0000 34305.3397 -149270.0577 299.5971 -183575.3974 -149180.4523 298.6960 9.7509 40.4225 557146.1635 -4.1038 -4.0821 PRESSURE: 2917000 248.127 67.7505 -70.9604 67.7494 -85.0446 -141.697 -70.96 -141.698 342.741 GPRESSURE: 2917000 250.255 36.2632 35.0253 18.1872 -6.58766 -70.1191 -77.8045 -211.394 366.128 PRESSAVG: 2917000 -31.4282 -14.9611 7.81559 -14.9611 0.844516 1.35486 7.81569 1.35496 63.4013 GPRESSAVG: 2917000 -31.1452 -14.711 9.01895 -15.8544 1.36849 0.564035 9.33927 2.2317 62.6071 TIMING: 2917000 CPU: 8465.12, 0.00293981/step Wall: 8465.12, 0.00293981/step, 1.701 hours remaining, 205.515625 MB of memory in use. ENERGY: 2917000 729.6852 2098.9762 1978.8259 105.2357 -206481.0203 18081.8626 0.0000 0.0000 34415.1838 -149071.2508 300.5564 -183486.4347 -148972.2740 299.6429 168.6076 203.2649 557761.9439 10.9392 10.9435 PRESSURE: 2917200 -150.776 134.174 47.8135 134.174 119.453 20.98 47.8142 20.9796 -204.469 GPRESSURE: 2917200 -160.796 105.123 70.0019 32.3573 129.111 -9.3043 -31.215 -32.8104 -105.785 PRESSAVG: 2917200 10.9074 9.42003 75.9678 9.42006 39.7721 -43.1007 75.9678 -43.1007 -1.70372 GPRESSAVG: 2917200 10.3124 9.77164 74.9435 9.16698 39.9614 -43.3574 74.6088 -43.6998 -1.06805 TIMING: 2917200 CPU: 8465.7, 0.0029209/step Wall: 8465.7, 0.0029209/step, 1.6899 hours remaining, 205.515625 MB of memory in use. ENERGY: 2917200 729.9187 2129.2535 1958.9042 117.9367 -205989.3557 17702.8444 0.0000 0.0000 34336.9237 -149013.5744 299.8729 -183350.4981 -148917.0816 299.8487 -78.5971 -45.8230 558700.5475 16.3253 16.4019 PRESSURE: 2917400 -58.1351 -67.8186 9.69238 -67.8185 -56.6914 -117.814 9.69185 -117.814 121.32 GPRESSURE: 2917400 -16.5231 -72.7194 16.4291 -81.8793 -80.1855 -114.418 4.07878 -178.497 196.085 PRESSAVG: 2917400 -19.0279 19.8662 40.4683 19.8663 12.0227 -17.2409 40.4683 -17.2408 -13.904 GPRESSAVG: 2917400 -17.8362 19.7597 41.3967 19.5449 11.4562 -15.6914 43.2667 -16.4905 -14.2985 TIMING: 2917400 CPU: 8466.29, 0.00294238/step Wall: 8466.29, 0.00294238/step, 1.70216 hours remaining, 205.515625 MB of memory in use. ENERGY: 2917400 707.5830 2113.8139 1959.5732 117.0002 -205997.2111 17593.6005 0.0000 0.0000 34294.4167 -149211.2236 299.5017 -183505.6403 -149110.0357 300.0493 2.1646 33.1254 556257.5473 -6.9698 -6.8928 PRESSURE: 2917600 -287.047 133.336 12.9767 133.336 12.2351 -120.756 12.9771 -120.756 -144 GPRESSURE: 2917600 -251.22 120.642 25.9387 58.1969 61.5838 -184.455 40.2425 -79.7587 -134.907 PRESSAVG: 2917600 -26.7972 -1.9461 2.91564 -1.94609 4.80262 -28.9013 2.91559 -28.9012 23.7339 GPRESSAVG: 2917600 -27.8046 -1.58084 3.58824 -1.46458 5.6241 -29.2147 1.88887 -29.6942 23.9708 TIMING: 2917600 CPU: 8466.88, 0.00292438/step Wall: 8466.88, 0.00292438/step, 1.69159 hours remaining, 205.718750 MB of memory in use. ENERGY: 2917600 789.8962 2035.9864 1970.7911 110.5329 -205973.9908 17546.2081 0.0000 0.0000 34212.0955 -149308.4808 298.7827 -183520.5763 -149211.3001 299.6195 -139.6042 -108.1809 555821.8514 0.5798 0.5968 PRESSURE: 2917800 -202.233 -132.287 224.196 -132.288 -149.755 35.0842 224.196 35.0859 141.776 GPRESSURE: 2917800 -116.988 -146.334 210.221 -189.037 -118.089 84.1149 208.222 -80.8271 128.157 PRESSAVG: 2917800 33.1474 -55.0652 12.0974 -55.0652 -70.4434 -50.0197 12.0974 -50.0197 -4.62381 GPRESSAVG: 2917800 33.7925 -55.957 11.7547 -55.189 -70.0778 -51.587 12.1266 -49.1543 -5.72195 TIMING: 2917800 CPU: 8467.46, 0.00290728/step Wall: 8467.46, 0.00290728/step, 1.68154 hours remaining, 205.718750 MB of memory in use. ENERGY: 2917800 737.4444 2057.3984 1944.4250 102.5324 -206099.8458 17615.0169 0.0000 0.0000 34412.8536 -149230.1752 300.5360 -183643.0288 -149131.0884 298.7806 -70.0709 -35.6399 556137.7152 -13.9733 -14.0024 PRESSURE: 2918000 -141.916 -68.106 18.3533 -68.1068 -168.479 -89.7952 18.3538 -89.7967 103.745 GPRESSURE: 2918000 -64.8656 -104.403 -33.0557 -71.4492 -162.739 -97.6152 33.1708 49.1439 114.678 PRESSAVG: 2918000 42.6509 -21.3565 17.2094 -21.3565 -39.9 -26.3915 17.2094 -26.3915 26.2368 GPRESSAVG: 2918000 40.852 -19.6513 14.2998 -21.4487 -39.7766 -26.3573 17.2326 -25.1397 27.913 TIMING: 2918000 CPU: 8468.04, 0.0029067/step Wall: 8468.04, 0.0029067/step, 1.68104 hours remaining, 205.718750 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: 2918000 775.8573 2062.3344 1970.6573 117.9235 -206328.3648 17902.2478 0.0000 0.0000 34230.1823 -149269.1622 298.9407 -183499.3445 -149169.7360 299.5987 -68.8833 -37.6424 556455.5882 9.6626 9.6628 PRESSURE: 2918200 -180.376 28.87 -208.06 28.8689 -306.159 113.116 -208.059 113.116 -135.525 GPRESSURE: 2918200 -175.247 62.1866 -254.327 59.5405 -245.376 51.9816 -211.94 141.52 -106.493 PRESSAVG: 2918200 46.2109 -5.10724 -34.2629 -5.10727 -15.6549 23.2906 -34.2629 23.2905 -11.77 GPRESSAVG: 2918200 46.5219 -6.76116 -30.9216 -4.41964 -15.5281 23.368 -35.4019 21.6672 -12.0759 TIMING: 2918200 CPU: 8468.62, 0.0029057/step Wall: 8468.62, 0.0029057/step, 1.6803 hours remaining, 205.718750 MB of memory in use. ENERGY: 2918200 724.3978 2129.5752 1970.8428 125.6157 -206144.5117 17595.0483 0.0000 0.0000 34339.6652 -149259.3668 299.8968 -183599.0320 -149162.1362 299.4601 -207.3534 -175.7051 558205.2235 6.2620 6.3060 PRESSURE: 2918400 20.3074 114.636 -115.571 114.635 78.1257 -27.4705 -115.57 -27.4722 141.297 GPRESSURE: 2918400 150.318 104.651 -120.842 53.5295 85.9345 -28.2806 -168.586 -47.4424 106.049 PRESSAVG: 2918400 -12.5976 -6.85678 -22.8057 -6.85684 40.1342 18.3109 -22.8057 18.3108 1.09468 GPRESSAVG: 2918400 -11.7439 -7.3256 -22.5492 -7.93903 38.5806 19.9007 -22.3882 16.7581 1.70908 TIMING: 2918400 CPU: 8469.2, 0.00290873/step Wall: 8469.2, 0.00290873/step, 1.68189 hours remaining, 205.718750 MB of memory in use. ENERGY: 2918400 754.6653 2133.4619 1958.0386 107.7467 -206280.0994 18010.6278 0.0000 0.0000 34186.4581 -149129.1011 298.5588 -183315.5592 -149027.5591 299.3704 79.9102 114.1003 557880.2681 9.5438 9.5153 PRESSURE: 2918600 -154.042 6.80919 -121.779 6.80924 -343.73 -32.3653 -121.779 -32.3644 66.0575 GPRESSURE: 2918600 -132.34 -27.7355 -101.364 73.3982 -256.238 -19.8669 -147.31 -10.9711 65.1641 PRESSAVG: 2918600 0.776637 -35.6402 9.36901 -35.6402 -18.9586 -28.4558 9.36902 -28.4559 18.261 GPRESSAVG: 2918600 1.1753 -33.7901 7.91826 -34.0339 -17.3478 -29.4829 8.55567 -25.9562 15.8291 TIMING: 2918600 CPU: 8469.78, 0.00290927/step Wall: 8469.78, 0.00290927/step, 1.68205 hours remaining, 205.718750 MB of memory in use. ENERGY: 2918600 774.4361 2133.2029 1956.0385 125.8831 -205906.9162 17670.2467 0.0000 0.0000 34119.3974 -149127.7116 297.9732 -183247.1090 -149032.4980 299.5354 -143.9049 -107.8046 558848.5285 0.0264 -0.1145 PRESSURE: 2918800 71.9492 -79.8457 53.7447 -79.8448 174.332 113.618 53.745 113.617 37.4171 GPRESSURE: 2918800 101.946 -32.9564 141.714 -147.762 161.377 56.5885 -63.0494 84.3871 106.713 PRESSAVG: 2918800 -50.2401 17.9501 34.8899 17.9501 75.489 -9.55568 34.89 -9.55559 -63.9251 GPRESSAVG: 2918800 -50.3423 17.0123 36.1573 17.1448 74.6494 -11.1369 33.6494 -8.59986 -62.9584 TIMING: 2918800 CPU: 8470.37, 0.00293607/step Wall: 8470.37, 0.00293607/step, 1.69737 hours remaining, 205.718750 MB of memory in use. ENERGY: 2918800 719.9320 2107.0441 1967.9084 100.1409 -206231.1598 17869.4123 0.0000 0.0000 34415.3528 -149051.3693 300.5578 -183466.7221 -148951.8667 299.2979 94.5661 123.3454 557979.2187 -12.8920 -12.8838 PRESSURE: 2919000 79.4911 62.9278 -82.8931 62.9285 -146.497 -49.3687 -82.8936 -49.3681 -22.9544 GPRESSURE: 2919000 110.941 59.4759 -107.137 82.9777 -131.255 -100.743 -129.733 -35.3728 24.5831 PRESSAVG: 2919000 -33.5378 -0.616962 19.8986 -0.616909 -5.40982 -22.7521 19.8987 -22.7522 50.7163 GPRESSAVG: 2919000 -34.199 -0.00465288 17.8673 -0.357114 -4.49768 -21.2094 22.6863 -24.3913 50.6776 TIMING: 2919000 CPU: 8470.96, 0.00292372/step Wall: 8470.96, 0.00292372/step, 1.69007 hours remaining, 205.785156 MB of memory in use. ENERGY: 2919000 757.0063 2081.8447 2009.0413 111.4299 -206215.5385 17826.3687 0.0000 0.0000 34417.4370 -149012.4105 300.5760 -183429.8475 -148906.0634 299.9059 -29.9869 1.4232 558766.4549 3.9229 3.9936 PRESSURE: 2919200 -156.078 -81.6084 57.117 -81.6088 -133.543 -9.63178 57.1172 -9.63202 187.309 GPRESSURE: 2919200 -98.734 -35.5446 6.77098 -128.89 -79.2141 29.9566 16.8206 -4.24391 175.996 PRESSAVG: 2919200 59.7349 9.44073 -22.5061 9.44075 -67.3767 9.62439 -22.506 9.62441 7.21134 GPRESSAVG: 2919200 58.8792 8.10324 -23.3439 10.9451 -67.9203 9.8476 -24.0523 9.56099 8.56597 TIMING: 2919200 CPU: 8471.54, 0.0029219/step Wall: 8471.54, 0.0029219/step, 1.68886 hours remaining, 205.785156 MB of memory in use. ENERGY: 2919200 781.8190 2152.8097 1954.5217 109.9557 -206371.1080 17885.3994 0.0000 0.0000 34383.1495 -149103.4530 300.2766 -183486.6025 -149013.1349 299.8129 -34.1040 -0.6506 557929.4127 -0.1435 -0.1584 PRESSURE: 2919400 87.7463 77.5307 -18.8308 77.5315 -172.586 3.74467 -18.8316 3.74644 -292.006 GPRESSURE: 2919400 149.508 89.0011 30.2174 20.417 -134.994 -7.09007 -32.0527 26.9736 -289.253 PRESSAVG: 2919400 62.4933 54.7428 -29.4226 54.7429 -90.456 29.7181 -29.4227 29.7182 58.2211 GPRESSAVG: 2919400 65.1949 57.1394 -26.9946 52.8983 -90.9895 30.4683 -31.1065 31.2507 56.158 TIMING: 2919400 CPU: 8472.13, 0.00293245/step Wall: 8472.13, 0.00293245/step, 1.6948 hours remaining, 205.785156 MB of memory in use. ENERGY: 2919400 778.1385 2146.2332 1947.6108 113.2044 -205965.6205 17652.4004 0.0000 0.0000 34360.3605 -148967.6728 300.0776 -183328.0333 -148870.0138 300.1359 -125.6154 -91.5796 557904.9028 10.0861 10.1211 PRESSURE: 2919600 231.664 -50.7187 -56.7054 -50.7183 -2.42131 -59.2492 -56.7047 -59.2493 -59.0605 GPRESSURE: 2919600 326.494 -86.0884 -42.6249 -13.0722 -34.9519 -25.2026 -49.8355 -16.2534 -19.8912 PRESSAVG: 2919600 3.2849 55.7038 17.4182 55.7038 37.9914 28.3765 17.4181 28.3765 -29.3701 GPRESSAVG: 2919600 1.17416 51.7385 17.0297 55.6234 39.3104 28.1625 21.6168 24.6339 -28.6362 TIMING: 2919600 CPU: 8472.71, 0.00291371/step Wall: 8472.71, 0.00291371/step, 1.6838 hours remaining, 205.785156 MB of memory in use. ENERGY: 2919600 752.5317 2112.6980 1939.8969 110.3017 -206000.8565 17795.7150 0.0000 0.0000 34221.1993 -149068.5140 298.8622 -183289.7133 -148980.6487 300.4154 56.7275 90.5502 557683.1293 3.9687 3.9495 PRESSURE: 2919800 -193.323 -22.9126 -96.6351 -22.9122 156.133 -8.92469 -96.6359 -8.924 -44.4707 GPRESSURE: 2919800 -99.4139 19.6982 -82.4323 -115.302 168.088 -1.96428 -119.106 -29.3542 -44.8269 PRESSAVG: 2919800 -18.7352 7.24869 3.75119 7.24868 13.4189 13.5435 3.75119 13.5435 21.5428 GPRESSAVG: 2919800 -18.6105 9.72232 2.05891 7.61019 13.1123 12.5949 4.84623 17.3451 21.8185 TIMING: 2919800 CPU: 8473.29, 0.00291628/step Wall: 8473.29, 0.00291628/step, 1.68512 hours remaining, 205.785156 MB of memory in use. ENERGY: 2919800 727.1972 2113.2462 1942.8400 117.2344 -206187.2250 17827.7575 0.0000 0.0000 34539.2327 -148919.7169 301.6397 -183458.9497 -148815.6703 300.0051 -27.2200 7.9492 558537.9489 5.4088 5.4401 PRESSURE: 2920000 7.16457 164.661 136.528 164.663 -160.238 152.541 136.527 152.539 32.6641 GPRESSURE: 2920000 86.8485 106.25 107.745 120.829 -105.572 249.695 175.475 106.339 -9.43716 PRESSAVG: 2920000 0.955596 -1.85761 16.5307 -1.85755 -15.3975 66.5006 16.5306 66.5006 -13.3365 GPRESSAVG: 2920000 2.2548 -3.03617 16.4295 -2.24539 -16.3713 65.422 14.9458 66.8165 -13.8228 TIMING: 2920000 CPU: 8473.88, 0.00291655/step Wall: 8473.88, 0.00291655/step, 1.68512 hours remaining, 205.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2920000 712.5594 2070.0334 1954.7141 125.4520 -206345.5907 17868.0133 0.0000 0.0000 34490.1660 -149124.6525 301.2112 -183614.8185 -149023.8490 300.5453 -40.1363 -9.3868 557999.4174 -9.2595 -9.3131 PRESSURE: 2920200 -25.1501 80.2793 81.6589 80.2811 -137.925 -201.798 81.6598 -201.799 16.308 GPRESSURE: 2920200 22.9476 103.886 18.6129 27.0445 -150.628 -138.218 102.33 -162.494 97.3512 PRESSAVG: 2920200 -35.6705 18.5991 -30.2694 18.5992 -10.3372 33.5534 -30.2695 33.5534 69.612 GPRESSAVG: 2920200 -35.4726 19.301 -29.2116 20.2481 -10.3683 37.2762 -31.9592 31.5747 69.6294 TIMING: 2920200 CPU: 8474.46, 0.00293572/step Wall: 8474.46, 0.00293572/step, 1.69603 hours remaining, 205.785156 MB of memory in use. ENERGY: 2920200 743.9726 2126.2829 1926.6128 98.2547 -206110.0196 17831.5786 0.0000 0.0000 34437.2300 -148946.0878 300.7489 -183383.3179 -148858.2123 300.5413 -48.9224 -10.1098 558799.5028 7.8681 7.9295 LDB: ============= START OF LOAD BALANCING ============== 8477.93 LDB: ============== END OF LOAD BALANCING =============== 8477.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8477.93 LDB: ============= START OF LOAD BALANCING ============== 8478.23 LDB: Largest compute 4821 load 0.028229 is 24.0% of average load 0.117841 LDB: Average compute 0.001717 is 1.5% of average load 0.117841 LDB: TIME 8478.23 LOAD: AVG 0.117841 MAX 0.179852 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 8478.23 LOAD: AVG 0.117841 MAX 0.179852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 8478.23 LOAD: AVG 0.117841 MAX 0.179852 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 8478.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8478.24 PRESSURE: 2920400 9.56855 -141.493 -207.706 -141.493 -31.3691 -39.8152 -207.707 -39.8178 -66.1761 GPRESSURE: 2920400 41.9722 -243.045 -212.709 -87.3185 26.217 -57.7612 -271.991 -60.9493 -65.8832 PRESSAVG: 2920400 -37.6865 -15.0711 -1.85179 -15.0711 16.9444 19.6859 -1.85182 19.6857 21.4776 GPRESSAVG: 2920400 -37.9059 -15.7962 -0.88319 -15.5647 17.6025 18.363 -0.600097 21.3931 21.7131 TIMING: 2920400 CPU: 8475.06, 0.0029849/step Wall: 8475.06, 0.0029849/step, 1.72428 hours remaining, 205.632812 MB of memory in use. ENERGY: 2920400 739.4558 2154.7622 1945.8938 113.5683 -205932.8401 17676.7883 0.0000 0.0000 34265.5168 -149036.8549 299.2493 -183302.3717 -148939.3242 299.3980 -29.3255 0.7687 558299.1606 0.2452 0.4699 PRESSURE: 2920600 -353.201 121.401 -12.3591 121.401 -104.516 2.11383 -12.3578 2.11631 -315.735 GPRESSURE: 2920600 -293.805 69.6205 77.3155 153.717 -124.753 -92.5107 24.6054 102.404 -258.562 PRESSAVG: 2920600 -56.8048 -13.0917 -7.7421 -13.0917 38.1396 16.4964 -7.74214 16.4963 -8.9152 GPRESSAVG: 2920600 -56.6925 -11.8206 -9.01585 -16.1904 37.5263 13.7888 -9.41628 15.994 -9.16913 TIMING: 2920600 CPU: 8475.65, 0.00294368/step Wall: 8475.65, 0.00294368/step, 1.7003 hours remaining, 205.835938 MB of memory in use. ENERGY: 2920600 717.0564 2105.2553 1949.4745 105.7747 -205996.2586 17545.1749 0.0000 0.0000 34318.8764 -149254.6463 299.7153 -183573.5227 -149159.2557 299.0791 -257.8173 -225.7066 560507.4396 -9.1935 -9.4451 PRESSURE: 2920800 -162.396 9.36782 -17.4851 9.36771 -106.876 110.393 -17.4845 110.392 14.2598 GPRESSURE: 2920800 -174.047 26.2791 76.2162 1.60759 -121.399 89.5889 -33.7372 128.743 120.302 PRESSAVG: 2920800 -27.6505 -0.119327 -13.0328 -0.119424 54.073 50.8867 -13.0328 50.8866 -50.2559 GPRESSAVG: 2920800 -28.3511 1.12805 -12.291 1.2112 53.8272 51.5433 -12.4375 52.3924 -49.292 TIMING: 2920800 CPU: 8476.24, 0.00293471/step Wall: 8476.24, 0.00293471/step, 1.69496 hours remaining, 205.835938 MB of memory in use. ENERGY: 2920800 754.3617 2120.1714 1941.8761 113.3081 -206149.2476 17736.3159 0.0000 0.0000 34367.1044 -149116.1100 300.1365 -183483.2144 -149015.2440 299.2885 -85.0042 -58.3812 557989.9253 -7.9444 -7.9386 PRESSURE: 2921000 -180.222 81.0854 9.82794 81.0846 -37.4984 -28.3935 9.82636 -28.3932 141.325 GPRESSURE: 2921000 -106.508 50.3959 -37.4813 100.872 5.93318 -10.64 102.924 -25.2154 121.657 PRESSAVG: 2921000 -33.3042 42.6158 -7.20071 42.6159 -13.8723 10.6014 -7.20081 10.6014 29.2066 GPRESSAVG: 2921000 -32.9623 40.8244 -7.11851 44.0587 -12.2787 13.8662 -7.1599 10.8353 27.1377 TIMING: 2921000 CPU: 8476.83, 0.00295483/step Wall: 8476.83, 0.00295483/step, 1.70641 hours remaining, 205.835938 MB of memory in use. ENERGY: 2921000 751.4100 2112.5000 1964.6514 127.6711 -205823.7191 17585.4358 0.0000 0.0000 34141.3857 -149140.6651 298.1652 -183282.0508 -149042.0672 298.9443 -25.4650 7.0274 555729.8067 -5.9900 -6.0344 PRESSURE: 2921200 -20.6474 -80.5918 -80.2374 -80.5908 -112.505 -52.6114 -80.2383 -52.6105 151.385 GPRESSURE: 2921200 39.0656 -84.3437 -65.1219 -79.2567 -105.909 -49.0046 33.9036 -42.6612 181.828 PRESSAVG: 2921200 -39.4993 26.7298 19.7805 26.7298 -27.5776 12.7035 19.7805 12.7035 22.4547 GPRESSAVG: 2921200 -38.4478 28.0629 18.0236 23.1847 -28.4024 11.8313 20.6926 12.34 22.0283 TIMING: 2921200 CPU: 8477.41, 0.00294143/step Wall: 8477.41, 0.00294143/step, 1.69851 hours remaining, 205.835938 MB of memory in use. ENERGY: 2921200 757.7385 2110.3352 1963.3707 115.5266 -206104.0896 17754.1339 0.0000 0.0000 34352.8220 -149050.1627 300.0117 -183402.9847 -148958.1471 299.4795 6.0774 38.3281 557534.6789 -14.8741 -14.9406 PRESSURE: 2921400 167.72 -28.5844 -135.898 -28.5832 104.12 92.4674 -135.898 92.4686 147.156 GPRESSURE: 2921400 161.8 -26.3956 -167.137 11.8695 249.178 37.2305 -160.15 37.533 104 PRESSAVG: 2921400 80.9997 34.9258 10.0242 34.9258 -93.6365 22.8618 10.0243 22.8618 14.59 GPRESSAVG: 2921400 79.6737 33.5187 11.0522 38.3432 -93.4307 23.1585 9.73333 20.4966 15.1046 TIMING: 2921400 CPU: 8478, 0.00292291/step Wall: 8478, 0.00292291/step, 1.68766 hours remaining, 205.835938 MB of memory in use. ENERGY: 2921400 723.7689 2141.5695 1943.1662 114.2564 -206190.5553 18004.6712 0.0000 0.0000 34258.0378 -149005.0853 299.1840 -183263.1231 -148902.2726 299.9481 139.6654 171.6596 557860.4336 0.6511 0.4492 PRESSURE: 2921600 -228.806 -95.107 79.5944 -95.1069 -295.305 -4.11102 79.5941 -4.11046 -74.2638 GPRESSURE: 2921600 -184.39 -57.4722 13.5699 -64.8253 -228.598 78.5629 102.392 18.253 -92.9808 PRESSAVG: 2921600 20.5691 10.1092 -7.85778 10.1092 -12.3064 2.80794 -7.8578 2.808 -3.23968 GPRESSAVG: 2921600 20.3874 9.54148 -8.44815 8.25753 -12.0671 1.39418 -9.25798 4.85373 -3.24989 TIMING: 2921600 CPU: 8478.59, 0.00294614/step Wall: 8478.59, 0.00294614/step, 1.70091 hours remaining, 205.835938 MB of memory in use. ENERGY: 2921600 755.8622 2111.4780 1982.3188 114.9181 -205627.9871 17507.8196 0.0000 0.0000 34278.3224 -148877.2680 299.3611 -183155.5904 -148784.0607 300.2075 -199.4583 -168.6562 557826.0195 1.6743 1.6902 PRESSURE: 2921800 65.7852 101.531 -209.609 101.53 -67.5065 -18.6743 -209.61 -18.6743 -308.308 GPRESSURE: 2921800 48.6761 128.621 -201.99 105.829 -23.6391 68.8895 -160.935 19.8466 -242.095 PRESSAVG: 2921800 -58.6428 2.82359 20.4409 2.82356 46.3067 6.82944 20.4409 6.82951 -8.90665 GPRESSAVG: 2921800 -58.4742 5.78346 22.8975 3.11958 46.1292 6.85772 21.3314 7.96621 -8.82173 TIMING: 2921800 CPU: 8479.17, 0.0029229/step Wall: 8479.17, 0.0029229/step, 1.68733 hours remaining, 205.835938 MB of memory in use. ENERGY: 2921800 712.6322 2111.4912 1962.7442 109.8874 -205661.2115 17663.6223 0.0000 0.0000 34142.5817 -148958.2524 298.1757 -183100.8341 -148869.1334 299.3343 -103.3431 -72.3525 559503.9660 -7.0809 -7.0556 PRESSURE: 2922000 -50.9945 157.539 -151.026 157.539 122.045 178.755 -151.026 178.757 -19.85 GPRESSURE: 2922000 10.4382 125.688 -131.88 167.559 138.666 193.526 -46.9943 99.2068 -4.44653 PRESSAVG: 2922000 15.014 59.5371 -8.47407 59.5371 29.7351 -28.0484 -8.47403 -28.0484 -15.2353 GPRESSAVG: 2922000 15.1494 58.17 -8.91781 60.5847 29.1424 -27.3503 -7.71799 -27.5326 -14.6274 TIMING: 2922000 CPU: 8479.76, 0.00292447/step Wall: 8479.76, 0.00292447/step, 1.68807 hours remaining, 205.835938 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: 2922000 774.9240 2075.4551 1941.1916 113.6055 -206134.7036 17984.5947 0.0000 0.0000 34138.9545 -149105.9781 298.1440 -183244.9326 -149013.2578 299.4341 17.0669 48.2192 558335.9571 9.8379 9.8881 PRESSURE: 2922200 -57.8203 -51.7033 25.4405 -51.7036 -113.89 86.4087 25.4398 86.4093 -57.758 GPRESSURE: 2922200 4.15341 -77.8279 24.7385 -26.5515 -116.909 71.0857 127.058 20.6196 -20.7099 PRESSAVG: 2922200 -14.4468 39.1888 -30.0716 39.1887 -9.80431 -22.8576 -30.0716 -22.8577 -15.0516 GPRESSAVG: 2922200 -14.2556 38.5234 -31.4476 38.1747 -10.0883 -22.3725 -30.0346 -25.0679 -14.9807 TIMING: 2922200 CPU: 8480.34, 0.00290261/step Wall: 8480.34, 0.00290261/step, 1.67529 hours remaining, 205.835938 MB of memory in use. ENERGY: 2922200 755.8059 2087.4507 1974.4764 105.1624 -206129.5922 17737.6634 0.0000 0.0000 34570.8429 -148898.1904 301.9158 -183469.0334 -148792.1926 300.1562 -76.4895 -44.4886 557514.3388 -13.1009 -13.1082 PRESSURE: 2922400 -428.109 14.9268 32.0422 14.9275 -285.29 -120.058 32.0438 -120.054 -136.214 GPRESSURE: 2922400 -359.644 -24.3034 -17.9259 25.368 -272.84 -80.5476 12.4084 -257.111 -118.368 PRESSAVG: 2922400 -25.6208 -10.0435 38.5255 -10.0435 -39.3738 -30.0759 38.5254 -30.0761 45.2214 GPRESSAVG: 2922400 -26.071 -9.63687 35.533 -8.94292 -39.1728 -30.0456 39.0598 -30.3472 45.4553 TIMING: 2922400 CPU: 8480.92, 0.00289848/step Wall: 8480.92, 0.00289848/step, 1.67275 hours remaining, 205.835938 MB of memory in use. ENERGY: 2922400 762.9862 2131.0296 1988.2218 146.4472 -206010.6100 17524.7760 0.0000 0.0000 34435.7091 -149021.4402 300.7356 -183457.1493 -148924.0475 299.7618 -283.2042 -250.2841 559696.0569 -6.5910 -6.5962 PRESSURE: 2922600 -156.184 -66.6554 -1.53679 -66.6549 -65.6644 44.3753 -1.53682 44.3737 -402.762 GPRESSURE: 2922600 -117.87 -62.25 -10.9443 -69.4368 -48.028 92.24 14.9668 -29.1714 -360.654 PRESSAVG: 2922600 2.65781 27.7693 29.4335 27.7693 -55.2547 -20.9463 29.4335 -20.9463 31.0939 GPRESSAVG: 2922600 3.05326 29.4348 33.1251 26.7505 -54.4871 -22.444 28.6167 -19.2564 29.9645 TIMING: 2922600 CPU: 8481.5, 0.00290603/step Wall: 8481.5, 0.00290603/step, 1.67694 hours remaining, 205.835938 MB of memory in use. ENERGY: 2922600 768.5519 2138.5804 1954.5007 94.1642 -205611.8718 17536.9426 0.0000 0.0000 34031.6313 -149087.5006 297.2067 -183119.1319 -148995.0214 299.5274 -208.2033 -175.5172 559320.1774 -7.1677 -7.1565 PRESSURE: 2922800 -146.011 164.958 -31.0323 164.958 -179.112 93.4886 -31.03 93.4898 -263.334 GPRESSURE: 2922800 -99.3171 143.862 -18.3237 172.485 -158.687 82.1675 -6.538 82.9807 -224.824 PRESSAVG: 2922800 -38.7398 25.2125 21.2637 25.2124 77.699 -16.3851 21.2638 -16.385 -26.9714 GPRESSAVG: 2922800 -38.1309 23.7034 21.8511 25.7382 77.238 -15.2261 20.1167 -16.0957 -27.1385 TIMING: 2922800 CPU: 8482.08, 0.00291394/step Wall: 8482.08, 0.00291394/step, 1.68134 hours remaining, 205.835938 MB of memory in use. ENERGY: 2922800 755.2190 2088.8673 1961.7801 108.6517 -206049.7749 17649.6643 0.0000 0.0000 34411.2300 -149074.3625 300.5218 -183485.5925 -148973.5171 300.0167 -196.1523 -160.9426 558098.0189 3.9960 3.9896 PRESSURE: 2923000 48.3851 0.427782 72.9452 0.427639 149.225 87.6453 72.946 87.6448 -20.1007 GPRESSURE: 2923000 43.8665 37.3495 35.7802 -17.9855 159.212 -8.81894 46.4404 103.89 67.5533 PRESSAVG: 2923000 -31.769 -38.9341 46.8023 -38.9342 56.0311 -27.2703 46.8023 -27.2703 -48.3339 GPRESSAVG: 2923000 -31.9106 -37.2549 46.2535 -39.6787 56.1784 -29.577 47.951 -26.8137 -47.6155 TIMING: 2923000 CPU: 8482.67, 0.00291973/step Wall: 8482.67, 0.00291973/step, 1.68452 hours remaining, 206.039062 MB of memory in use. ENERGY: 2923000 761.4647 2067.9837 1954.4937 113.3777 -206647.1608 18248.8735 0.0000 0.0000 34532.1482 -148968.8193 301.5778 -183500.9675 -148868.1258 300.3160 59.1697 90.2105 558057.6548 -8.0239 -7.7826 PRESSURE: 2923200 -363.919 27.4204 -28.404 27.4207 -168.228 -177.721 -28.4032 -177.721 -179.102 GPRESSURE: 2923200 -321.698 -110.024 -15.1133 90.5176 -147.768 -205.444 -88.4836 -168.887 -156.219 PRESSAVG: 2923200 -42.8606 1.88608 26.8699 1.88606 -14.6078 4.2242 26.8699 4.22427 38.1742 GPRESSAVG: 2923200 -42.1909 2.08678 25.7368 1.67699 -15.1417 6.31039 29.8122 2.13123 38.3201 TIMING: 2923200 CPU: 8483.25, 0.00293637/step Wall: 8483.25, 0.00293637/step, 1.69396 hours remaining, 206.039062 MB of memory in use. ENERGY: 2923200 771.8780 2060.5144 1962.0374 110.3930 -205615.7074 17530.3091 0.0000 0.0000 34353.3525 -148827.2229 300.0164 -183180.5754 -148730.8511 299.7863 -237.0826 -208.5616 560709.4657 -6.4314 -6.3375 PRESSURE: 2923400 -6.50344 -187.274 68.9533 -187.274 -213.017 -32.8704 68.9538 -32.869 48.6863 GPRESSURE: 2923400 74.7242 -264.812 0.631072 -131.058 -245.113 -54.2534 50.4436 15.3018 90.7748 PRESSAVG: 2923400 -36.3805 18.6289 -35.9146 18.6289 50.3242 -21.5957 -35.9146 -21.5956 -19.3489 GPRESSAVG: 2923400 -37.2364 15.784 -35.513 19.8175 50.4345 -20.4498 -38.3927 -21.7005 -18.5647 TIMING: 2923400 CPU: 8483.84, 0.00294338/step Wall: 8483.84, 0.00294338/step, 1.69784 hours remaining, 206.039062 MB of memory in use. ENERGY: 2923400 766.9627 2054.2216 1960.9730 125.0380 -206001.9095 17775.0509 0.0000 0.0000 34364.8303 -148954.8330 300.1166 -183319.6633 -148858.5379 299.3007 -56.9446 -26.5379 558610.2061 -1.8017 -1.7888 PRESSURE: 2923600 -134.114 -2.37238 95.7578 -2.37164 -18.0876 74.6242 95.7591 74.6242 -230.739 GPRESSURE: 2923600 -157.565 16.2991 138.067 22.8616 14.2169 179.844 50.6949 41.8572 -142.427 PRESSAVG: 2923600 20.9468 -13.5502 -5.41446 -13.5502 -4.80722 -2.61947 -5.41453 -2.61933 -11.4667 GPRESSAVG: 2923600 20.7112 -12.6294 -6.34227 -11.6214 -4.83783 -4.48903 -4.81794 -1.03231 -11.3126 TIMING: 2923600 CPU: 8484.43, 0.00293008/step Wall: 8484.43, 0.00293008/step, 1.69001 hours remaining, 206.039062 MB of memory in use. ENERGY: 2923600 727.4247 2112.1558 1946.6269 112.4203 -205705.1308 17574.3679 0.0000 0.0000 34323.2122 -148908.9231 299.7531 -183232.1352 -148812.6963 299.5948 -127.6470 -95.2582 558507.4147 1.5576 1.5203 PRESSURE: 2923800 37.7687 71.4164 35.9335 71.4168 165.289 -47.3435 35.9339 -47.3434 -46.6441 GPRESSURE: 2923800 111.277 80.5317 32.3225 48.3632 212.406 -7.84501 -86.6383 -120.441 -52.8753 PRESSAVG: 2923800 5.68596 -5.0724 -38.1523 -5.07246 1.87363 13.5036 -38.1523 13.5036 30.1483 GPRESSAVG: 2923800 5.06756 -4.02742 -38.5214 -7.64179 3.00607 14.1164 -38.5174 14.0963 29.8617 TIMING: 2923800 CPU: 8485.01, 0.00291929/step Wall: 8485.01, 0.00291929/step, 1.68362 hours remaining, 206.039062 MB of memory in use. ENERGY: 2923800 763.6988 2078.2884 1956.5977 128.8951 -205967.5551 17974.7526 0.0000 0.0000 34212.1899 -148853.1326 298.7836 -183065.3225 -148756.2867 300.0577 52.1377 90.2691 557636.6456 12.5693 12.6451 PRESSURE: 2924000 58.6085 120.71 -165.568 120.71 147.519 94.5418 -165.568 94.5414 71.8325 GPRESSURE: 2924000 90.857 151.282 -142.912 107.687 199.776 71.522 -167.464 127.223 75.5528 PRESSAVG: 2924000 62.2113 40.9828 -19.9016 40.9828 8.3855 -71.921 -19.9016 -71.9209 -65.597 GPRESSAVG: 2924000 63.2253 41.3766 -16.9974 41.7729 7.4056 -74.1498 -20.958 -70.3011 -65.1266 TIMING: 2924000 CPU: 8485.6, 0.00292546/step Wall: 8485.6, 0.00292546/step, 1.68702 hours remaining, 206.039062 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: 2924000 733.9255 2141.4002 1986.4442 109.8440 -205821.2946 17807.6285 0.0000 0.0000 34099.5570 -148942.4952 297.7999 -183042.0523 -148844.8236 299.9219 92.6535 122.0620 558799.2169 1.6666 1.8348 PRESSURE: 2924200 27.0267 -126.283 20.7663 -126.283 65.7803 -85.5404 20.7663 -85.5411 -3.75664 GPRESSURE: 2924200 22.1985 -39.99 -47.4156 -158.981 52.2132 -7.8478 70.6206 -145.123 112.196 PRESSAVG: 2924200 34.8503 23.0261 -5.84755 23.0262 23.4783 -14.9223 -5.84756 -14.9222 -44.7782 GPRESSAVG: 2924200 35.4107 22.4556 -8.41245 20.7638 22.495 -11.5831 -4.59784 -17.0316 -44.3724 TIMING: 2924200 CPU: 8486.18, 0.0029285/step Wall: 8486.18, 0.0029285/step, 1.6886 hours remaining, 206.039062 MB of memory in use. ENERGY: 2924200 783.5116 2055.2330 1957.9426 100.8202 -206074.5966 17903.8725 0.0000 0.0000 34284.4833 -148988.7334 299.4149 -183273.2168 -148888.3012 299.8606 29.6835 62.2027 558208.3525 4.5168 4.5111 LDB: ============= START OF LOAD BALANCING ============== 8489.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8489.65 LDB: =============== DONE WITH MIGRATION ================ 8489.65 LDB: ============= START OF LOAD BALANCING ============== 8489.95 LDB: Largest compute 4820 load 0.028475 is 24.2% of average load 0.117727 LDB: Average compute 0.001712 is 1.5% of average load 0.117727 LDB: TIME 8489.95 LOAD: AVG 0.117727 MAX 0.182165 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8489.95 LOAD: AVG 0.117727 MAX 0.182165 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: TIME 8489.95 LOAD: AVG 0.117727 MAX 0.182165 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: ============== END OF LOAD BALANCING =============== 8489.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8489.96 PRESSURE: 2924400 18.1098 -3.90102 52.0873 -3.90092 -161.304 29.4298 52.088 29.4305 -151.075 GPRESSURE: 2924400 60.8991 -29.3138 81.7941 -40.853 -102.628 -16.016 77.0918 27.0671 -159.779 PRESSAVG: 2924400 -54.2079 -26.0823 -30.5808 -26.0823 48.9922 -35.0601 -30.5808 -35.0601 -21.7368 GPRESSAVG: 2924400 -54.7021 -28.4073 -29.8726 -24.4365 51.1145 -34.1765 -29.4457 -35.1739 -23.1344 TIMING: 2924400 CPU: 8486.78, 0.00298661/step Wall: 8486.78, 0.00298661/step, 1.72195 hours remaining, 207.425781 MB of memory in use. ENERGY: 2924400 734.7988 2076.0457 1954.4417 110.4871 -205719.6251 17613.1127 0.0000 0.0000 34350.3298 -148880.4093 299.9900 -183230.7391 -148782.6637 299.7119 -98.0898 -67.1690 558576.5837 -8.9842 -8.9073 PRESSURE: 2924600 -3.85623 206.25 58.485 206.25 21.5899 66.0838 58.4836 66.0844 160.509 GPRESSURE: 2924600 17.4764 161.151 60.9857 255.61 71.0351 55.9796 65.6452 62.8476 176.487 PRESSAVG: 2924600 17.445 -4.99105 -7.94044 -4.99101 17.6434 -27.5923 -7.94057 -27.5924 -15.8585 GPRESSAVG: 2924600 16.95 0.454092 -7.93922 -5.99022 15.7529 -29.2443 -9.47011 -28.5876 -14.6147 TIMING: 2924600 CPU: 8487.37, 0.00292582/step Wall: 8487.37, 0.00292582/step, 1.68674 hours remaining, 207.628906 MB of memory in use. ENERGY: 2924600 725.3645 2099.1298 1941.5515 114.4604 -205799.4139 17728.2586 0.0000 0.0000 34442.1050 -148748.5441 300.7915 -183190.6491 -148656.8554 300.2351 59.4141 88.3327 558125.6514 6.4100 6.0294 PRESSURE: 2924800 -175.094 -49.1367 -73.3639 -49.1367 47.0043 130.824 -73.3634 130.824 -22.0923 GPRESSURE: 2924800 -88.4977 -100.897 -92.786 -71.6943 33.2601 119.067 -143.854 113.238 -4.1208 PRESSAVG: 2924800 -39.6086 -61.3998 8.09134 -61.3998 38.9299 -20.3344 8.09139 -20.3345 7.79807 GPRESSAVG: 2924800 -39.8751 -61.4384 7.62625 -62.0948 39.3955 -21.7959 7.44707 -18.8479 8.18865 TIMING: 2924800 CPU: 8487.95, 0.00291566/step Wall: 8487.95, 0.00291566/step, 1.68072 hours remaining, 207.695312 MB of memory in use. ENERGY: 2924800 734.1440 2086.5768 1943.4124 116.8979 -205730.0351 17707.0194 0.0000 0.0000 34346.1351 -148795.8496 299.9533 -183141.9847 -148701.8381 300.0508 -50.0608 -19.7861 557259.2191 2.3731 2.5697 PRESSURE: 2925000 107.601 -93.6043 -50.4337 -93.6046 -105.354 -7.17016 -50.4343 -7.16846 -306.813 GPRESSURE: 2925000 133.771 -47.9625 -165.237 -75.0464 -76.4462 -79.8763 -49.2028 -12.8708 -270.9 PRESSAVG: 2925000 29.6434 -41.8636 -12.1778 -41.8636 -29.6411 49.4718 -12.1778 49.472 -30.0448 GPRESSAVG: 2925000 29.4211 -43.712 -11.6589 -42.1227 -29.5315 50.0043 -11.1503 47.5221 -30.0129 TIMING: 2925000 CPU: 8488.54, 0.00293894/step Wall: 8488.54, 0.00293894/step, 1.69397 hours remaining, 207.695312 MB of memory in use. ENERGY: 2925000 719.1925 2105.9005 1944.1911 101.6760 -205403.0808 17402.3451 0.0000 0.0000 34413.4347 -148716.3409 300.5411 -183129.7756 -148623.2535 299.9447 -101.5218 -71.1917 558613.9965 -10.0142 -10.0411 PRESSURE: 2925200 327.536 -182.596 75.9465 -182.596 228.692 68.2428 75.9474 68.2433 407.459 GPRESSURE: 2925200 353.078 -302.534 103.348 -129.694 246.778 110.979 -14.4098 12.0248 452.294 PRESSAVG: 2925200 9.17051 -42.1464 11.7574 -42.1463 1.67604 32.8484 11.7573 32.8484 34.754 GPRESSAVG: 2925200 9.68776 -42.1556 11.5417 -39.1066 1.32012 31.8497 10.6308 34.0658 34.893 TIMING: 2925200 CPU: 8489.13, 0.00294303/step Wall: 8489.13, 0.00294303/step, 1.69617 hours remaining, 207.695312 MB of memory in use. ENERGY: 2925200 726.4317 2065.0026 1974.9248 107.4424 -206393.2277 18239.3309 0.0000 0.0000 34529.5580 -148750.5373 301.5552 -183280.0953 -148655.7373 300.5004 321.2291 350.7169 556906.2430 15.2002 15.3003 PRESSURE: 2925400 244.54 235.648 31.1642 235.648 267.371 -84.4987 31.1643 -84.4981 148.234 GPRESSURE: 2925400 196.749 287.326 26.9635 236.074 364.228 -94.6191 26.6354 -39.9555 194.747 PRESSAVG: 2925400 26.8489 -61.6553 8.54489 -61.6553 -14.5349 21.2138 8.54489 21.2138 1.15679 GPRESSAVG: 2925400 26.2466 -61.9572 8.40755 -63.0189 -13.9551 21.4215 8.30872 22.2183 0.953854 TIMING: 2925400 CPU: 8489.71, 0.00292177/step Wall: 8489.71, 0.00292177/step, 1.68375 hours remaining, 207.835938 MB of memory in use. ENERGY: 2925400 715.2983 2073.7548 1945.2267 118.2409 -205781.1731 17923.5581 0.0000 0.0000 34118.6269 -148886.4673 297.9665 -183005.0942 -148793.7462 299.8138 220.0484 251.9080 556953.4630 4.4903 4.4151 PRESSURE: 2925600 80.9538 -12.3618 107.4 -12.3616 129.988 51.5917 107.4 51.5918 -373.228 GPRESSURE: 2925600 139.986 61.0452 195.246 -36.5567 117.322 -14.5341 4.27999 56.2925 -317.003 PRESSAVG: 2925600 44.7513 -43.9835 -2.76431 -43.9835 7.27753 37.0591 -2.76429 37.0591 -21.9201 GPRESSAVG: 2925600 45.7119 -44.0544 -2.01036 -44.2452 7.66409 39.2534 -3.00926 35.081 -23.1107 TIMING: 2925600 CPU: 8490.29, 0.00291911/step Wall: 8490.29, 0.00291911/step, 1.68206 hours remaining, 207.835938 MB of memory in use. ENERGY: 2925600 739.8110 2078.4860 1949.5810 102.1493 -205753.2878 17786.5031 0.0000 0.0000 34229.7083 -148867.0491 298.9366 -183096.7574 -148777.1468 299.8421 -54.0953 -19.8982 559624.0761 10.0362 10.0884 PRESSURE: 2925800 74.6324 -7.73008 -159.738 -7.72964 -242.011 -29.7241 -159.738 -29.7259 -21.0404 GPRESSURE: 2925800 103.221 -24.9251 -136.847 -62.5971 -179.604 -35.3281 -152.659 -119.291 -24.1704 PRESSAVG: 2925800 -14.897 -5.95792 27.1098 -5.95803 -19.3695 3.91308 27.1098 3.91297 -10.4608 GPRESSAVG: 2925800 -17.4118 -5.04072 25.7404 -6.96012 -19.3495 4.51044 29.8324 4.74603 -7.86447 TIMING: 2925800 CPU: 8490.88, 0.00291151/step Wall: 8490.88, 0.00291151/step, 1.67752 hours remaining, 207.835938 MB of memory in use. ENERGY: 2925800 763.9873 2090.2993 1958.7356 110.1200 -205691.5309 17643.3882 0.0000 0.0000 34280.0842 -148844.9164 299.3765 -183125.0005 -148760.8405 299.2059 -62.8063 -33.5178 558241.6119 -14.9091 -14.8753 PRESSURE: 2926000 20.4217 -127.28 -74.7721 -127.28 97.4728 180.296 -74.7722 180.297 -298.252 GPRESSURE: 2926000 65.3588 -135.37 -0.0520724 -164.425 78.5951 242.384 -72.4196 130.93 -245.965 PRESSAVG: 2926000 63.0246 36.5789 -13.409 36.579 -10.1588 14.5427 -13.409 14.5428 -62.3805 GPRESSAVG: 2926000 66.9406 34.7439 -13.3881 37.1898 -11.2845 11.1497 -13.1558 15.1554 -64.8477 TIMING: 2926000 CPU: 8491.46, 0.00292567/step Wall: 8491.46, 0.00292567/step, 1.68551 hours remaining, 207.835938 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: 2926000 771.5418 2090.4983 1982.1366 115.8609 -205636.8708 17542.0641 0.0000 0.0000 34165.4179 -148969.3513 298.3751 -183134.7692 -148871.9308 300.1356 -60.1190 -34.0038 557170.0403 -3.1716 -3.0638 PRESSURE: 2926200 -134.071 4.33313 -54.7427 4.33372 -127.449 -20.2173 -54.7419 -20.2178 -197.06 GPRESSURE: 2926200 -132.794 21.7779 -43.4489 -32.9338 -111.364 -11.256 -73.7544 25.7191 -131.583 PRESSAVG: 2926200 38.8667 4.69932 55.541 4.69936 -28.0711 -0.168347 55.541 -0.168246 -27.0922 GPRESSAVG: 2926200 37.8043 5.8568 57.2567 5.07951 -27.0006 0.809097 53.7568 -1.10703 -26.867 TIMING: 2926200 CPU: 8492.05, 0.00294343/step Wall: 8492.05, 0.00294343/step, 1.69558 hours remaining, 207.835938 MB of memory in use. ENERGY: 2926200 785.7918 2056.8924 1986.5123 114.9240 -205661.3951 17513.0591 0.0000 0.0000 34419.1415 -148785.0739 300.5909 -183204.2155 -148688.8416 299.3120 -152.8597 -125.2472 558125.9625 -5.4322 -5.3544 PRESSURE: 2926400 118.383 -106.632 -85.1853 -106.632 94.8821 39.5469 -85.186 39.5466 -47.3375 GPRESSURE: 2926400 171.239 -56.3042 -145.908 -168.091 101.045 -47.9081 -51.8336 27.0851 -28.3663 PRESSAVG: 2926400 80.5715 -9.96767 -56.7718 -9.96776 -35.6105 15.3238 -56.7718 15.3238 -40.5785 GPRESSAVG: 2926400 81.0632 -10.3596 -58.7134 -10.9007 -35.3387 13.2825 -56.6464 17.0711 -41.2151 TIMING: 2926400 CPU: 8492.64, 0.0029342/step Wall: 8492.64, 0.0029342/step, 1.6901 hours remaining, 207.835938 MB of memory in use. ENERGY: 2926400 721.8401 2080.2011 1936.8262 111.0013 -205711.2188 17744.5846 0.0000 0.0000 34343.3512 -148773.4144 299.9290 -183116.7656 -148673.1884 299.7518 55.3093 81.3059 557895.3627 1.4608 1.5031 PRESSURE: 2926600 -16.7282 70.5639 146.316 70.5633 -233.069 -97.2024 146.317 -97.2003 156.081 GPRESSURE: 2926600 8.31228 54.8941 210.389 58.6351 -160.28 -87.9918 49.9505 -58.4251 154.27 PRESSAVG: 2926600 59.5506 -24.2404 42.9576 -24.2404 -39.7833 -37.8011 42.9576 -37.801 7.62105 GPRESSAVG: 2926600 58.0905 -24.7408 45.5705 -22.6851 -39.3314 -35.0222 41.5149 -38.4265 8.64774 TIMING: 2926600 CPU: 8493.22, 0.00290724/step Wall: 8493.22, 0.00290724/step, 1.67441 hours remaining, 207.835938 MB of memory in use. ENERGY: 2926600 724.1043 2156.9432 1933.8286 115.3442 -205783.0225 17793.4814 0.0000 0.0000 34205.5329 -148853.7879 298.7254 -183059.3208 -148760.9743 299.7552 -31.2388 0.7674 557688.9811 9.1295 9.1356 PRESSURE: 2926800 -12.4002 -39.4384 -39.6696 -39.4388 142.131 -3.63134 -39.6695 -3.63187 -35.7501 GPRESSURE: 2926800 -12.5137 -119.209 -27.2131 59.3114 167.388 -6.43268 -6.15432 -68.2307 18.837 PRESSAVG: 2926800 69.9834 -23.396 2.41458 -23.3961 22.0433 -67.554 2.41453 -67.554 -50.3215 GPRESSAVG: 2926800 70.8389 -22.2785 -1.32612 -25.5831 21.0359 -68.143 5.85739 -66.5464 -49.9669 TIMING: 2926800 CPU: 8493.8, 0.00290017/step Wall: 8493.8, 0.00290017/step, 1.67018 hours remaining, 207.835938 MB of memory in use. ENERGY: 2926800 726.6902 2083.3269 1970.2092 125.0899 -205914.1940 17728.1546 0.0000 0.0000 34388.8243 -148891.8988 300.3262 -183280.7232 -148789.8505 300.2609 31.3268 57.9037 556999.8691 13.9017 13.9693 PRESSURE: 2927000 -33.0418 -97.9664 30.7452 -97.9667 268.022 -34.5236 30.746 -34.5242 165.773 GPRESSURE: 2927000 -22.8585 -38.8066 69.1375 -202.034 316.623 -9.95689 -18.8844 -44.0113 219.138 PRESSAVG: 2927000 -29.9276 -11.3931 -44.1232 -11.3932 64.2808 -42.3841 -44.1233 -42.3841 -4.18001 GPRESSAVG: 2927000 -29.7105 -11.9495 -41.5918 -11.6608 63.5423 -42.769 -47.6345 -43.121 -3.75262 TIMING: 2927000 CPU: 8494.38, 0.00290057/step Wall: 8494.38, 0.00290057/step, 1.67025 hours remaining, 207.835938 MB of memory in use. ENERGY: 2927000 742.5912 2092.3524 1933.7592 114.8943 -205952.5001 18026.5364 0.0000 0.0000 34159.0138 -148883.3527 298.3192 -183042.3665 -148791.0646 299.7719 133.5843 170.9675 557115.2864 10.0577 10.0264 PRESSURE: 2927200 -165.733 -132.374 -156.711 -132.373 58.865 -268.313 -156.712 -268.313 -60.5451 GPRESSURE: 2927200 -188.38 -130.819 -161.528 -107.015 105.541 -279.335 -134.364 -141.584 14.7942 PRESSAVG: 2927200 -39.8332 -4.23275 -3.37887 -4.23278 33.201 -51.9326 -3.37889 -51.9325 49.0687 GPRESSAVG: 2927200 -39.9232 -4.6969 -4.60035 -3.06039 33.9661 -52.6108 -2.35284 -48.8131 48.4788 TIMING: 2927200 CPU: 8494.96, 0.00291816/step Wall: 8494.96, 0.00291816/step, 1.68021 hours remaining, 207.835938 MB of memory in use. ENERGY: 2927200 771.4571 2126.1812 1973.9229 107.6902 -206001.1738 17784.6037 0.0000 0.0000 34365.2181 -148872.1006 300.1200 -183237.3187 -148770.7361 299.9171 -55.8043 -22.6817 557120.1034 14.1455 14.1739 PRESSURE: 2927400 256.432 -207.969 -80.0407 -207.969 90.3977 -152.503 -80.0411 -152.503 8.33525 GPRESSURE: 2927400 276.303 -187.929 -42.2148 -169.745 132.178 -69.969 -13.2134 -125.459 38.0374 PRESSAVG: 2927400 13.9673 -6.29383 -24.4135 -6.29383 35.6972 -38.561 -24.4135 -38.5608 -57.197 GPRESSAVG: 2927400 13.361 -6.67769 -24.7603 -5.99176 36.8186 -38.3827 -22.7259 -40.2476 -57.7276 TIMING: 2927400 CPU: 8495.54, 0.00291467/step Wall: 8495.54, 0.00291467/step, 1.67804 hours remaining, 207.835938 MB of memory in use. ENERGY: 2927400 762.0213 2101.3246 2003.0621 104.4846 -206490.8643 18116.8240 0.0000 0.0000 34372.3127 -149030.8350 300.1820 -183403.1477 -148942.0229 300.1997 118.3883 148.8393 556900.9348 -2.5108 -2.5160 PRESSURE: 2927600 -249.346 -289.088 57.9077 -289.088 24.7348 -145.98 57.9081 -145.98 184.897 GPRESSURE: 2927600 -202.614 -256.381 19.672 -292.806 93.1536 -114.922 129.388 -125.272 177.432 PRESSAVG: 2927600 -16.9414 -20.2797 -3.80927 -20.2796 13.2915 22.7327 -3.80923 22.7327 -61.382 GPRESSAVG: 2927600 -17.2701 -22.0892 -4.2609 -20.075 12.8135 22.7506 -4.71704 21.3397 -60.5031 TIMING: 2927600 CPU: 8496.13, 0.00292847/step Wall: 8496.13, 0.00292847/step, 1.68582 hours remaining, 207.835938 MB of memory in use. ENERGY: 2927600 762.3199 2066.9435 1951.6676 116.1964 -206016.5264 17821.7602 0.0000 0.0000 34289.4817 -149008.1571 299.4586 -183297.6388 -148913.1168 299.5132 -13.2381 22.6570 559507.2458 -21.6773 -21.6532 PRESSURE: 2927800 -21.5967 -65.9719 45.2314 -65.9712 47.3584 92.2638 45.2312 92.2647 126.224 GPRESSURE: 2927800 2.94959 -100.208 79.4179 -44.8282 57.0348 61.0007 10.7759 163.696 181.574 PRESSAVG: 2927800 76.6205 -0.827039 41.4463 -0.82698 -5.79017 -28.3082 41.4463 -28.3083 -54.8791 GPRESSAVG: 2927800 79.6363 -0.475416 41.2345 -0.98676 -7.2953 -27.3741 41.1577 -28.9152 -55.7814 TIMING: 2927800 CPU: 8496.72, 0.00294534/step Wall: 8496.72, 0.00294534/step, 1.69537 hours remaining, 207.835938 MB of memory in use. ENERGY: 2927800 719.5409 2152.5930 1987.3337 116.8192 -206166.6709 17928.0101 0.0000 0.0000 34163.5673 -149098.8067 298.3589 -183262.3740 -148998.0911 299.4105 50.6619 80.5193 558214.2289 5.3171 5.5199 PRESSURE: 2928000 67.2683 -117.103 14.3713 -117.103 152.917 -15.0514 14.3713 -15.0528 54.5132 GPRESSURE: 2928000 86.8824 -74.2485 32.4918 -111.284 218.917 0.597702 21.3003 -18.6296 70.2928 PRESSAVG: 2928000 8.88316 -32.1511 53.4392 -32.1511 -11.7557 14.8466 53.4394 14.8466 8.28305 GPRESSAVG: 2928000 5.67303 -31.0667 53.9115 -33.1838 -10.5306 15.5075 53.6439 15.4349 10.0664 TIMING: 2928000 CPU: 8497.31, 0.00295918/step Wall: 8497.31, 0.00295918/step, 1.70317 hours remaining, 207.835938 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: 2928000 710.2523 2131.7150 1973.5423 110.7805 -206095.0510 17854.1748 0.0000 0.0000 34338.5918 -148975.9943 299.8875 -183314.5861 -148876.6263 299.8428 91.5661 125.3641 556567.0663 1.8035 1.7363 PRESSURE: 2928200 -108.979 -17.5253 125.014 -17.5259 -115.019 -24.5439 125.014 -24.5419 -91.4826 GPRESSURE: 2928200 -131.913 -88.8917 108.047 55.1248 -33.237 -0.287414 85.0114 -56.2905 -48.7343 PRESSAVG: 2928200 26.5856 -21.9668 61.3799 -21.9668 -51.6104 1.88974 61.38 1.88973 26.8003 GPRESSAVG: 2928200 26.8515 -23.1161 61.7974 -20.6901 -51.3586 0.389198 62.1641 1.37765 25.9867 TIMING: 2928200 CPU: 8497.89, 0.00291684/step Wall: 8497.89, 0.00291684/step, 1.67864 hours remaining, 207.835938 MB of memory in use. ENERGY: 2928200 728.3615 2068.0820 1954.0967 115.5768 -205600.1258 17592.9367 0.0000 0.0000 34237.9558 -148903.1163 299.0086 -183141.0721 -148807.7184 300.1570 -105.1601 -71.2947 558688.7363 0.5918 0.4932 LDB: ============= START OF LOAD BALANCING ============== 8501.36 LDB: ============== END OF LOAD BALANCING =============== 8501.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8501.36 LDB: ============= START OF LOAD BALANCING ============== 8501.66 LDB: Largest compute 4821 load 0.026977 is 22.9% of average load 0.117790 LDB: Average compute 0.001709 is 1.5% of average load 0.117790 LDB: TIME 8501.66 LOAD: AVG 0.11779 MAX 0.177615 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 8501.66 LOAD: AVG 0.11779 MAX 0.177615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: TIME 8501.66 LOAD: AVG 0.11779 MAX 0.177615 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8501.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8501.66 PRESSURE: 2928400 -185.315 20.3314 -69.2918 20.3321 -294.719 -158.891 -69.29 -158.892 -159.633 GPRESSURE: 2928400 -171.293 110.545 -124.499 -81.4797 -253.996 -67.8705 -80.7651 -155.272 -114.862 PRESSAVG: 2928400 -23.2927 -40.975 34.6648 -40.975 -28.6918 -9.199 34.6647 -9.19902 81.3934 GPRESSAVG: 2928400 -22.3582 -40.9696 33.2487 -42.6367 -29.2418 -9.48066 34.8357 -9.75467 80.6397 TIMING: 2928400 CPU: 8498.49, 0.0029714/step Wall: 8498.49, 0.0029714/step, 1.70988 hours remaining, 205.945312 MB of memory in use. ENERGY: 2928400 729.0232 2095.9881 1962.9383 117.2275 -205377.6932 17359.5798 0.0000 0.0000 34197.1291 -148915.8072 298.6520 -183112.9363 -148819.8507 299.8149 -213.2222 -180.0503 558688.3226 9.8030 9.6799 PRESSURE: 2928600 -90.9426 83.2296 217.359 83.2301 -178.981 0.015677 217.358 0.0153161 22.8893 GPRESSURE: 2928600 -56.2577 57.135 202.351 91.3979 -155.373 -38.0275 239.818 44.3 55.9134 PRESSAVG: 2928600 -1.08001 -59.2538 23.6915 -59.2538 -18.6367 9.89064 23.6915 9.89052 -19.1195 GPRESSAVG: 2928600 -1.04982 -59.2475 22.8112 -57.4639 -19.431 10.3852 23.768 11.0727 -18.2985 TIMING: 2928600 CPU: 8499.07, 0.00290887/step Wall: 8499.07, 0.00290887/step, 1.67373 hours remaining, 206.148438 MB of memory in use. ENERGY: 2928600 702.2165 2078.9270 1987.3230 101.8473 -205922.1847 17519.8677 0.0000 0.0000 34552.0007 -148980.0025 301.7512 -183532.0032 -148873.9789 299.5065 -82.3448 -51.9057 556629.1712 -12.9454 -12.9264 PRESSURE: 2928800 6.44825 -107.851 -96.557 -107.853 -191.886 15.1307 -96.5578 15.1306 -37.104 GPRESSURE: 2928800 -8.78751 -93.6289 -57.4479 -136.867 -147.026 121.269 -60.4165 -21.0749 12.9112 PRESSAVG: 2928800 7.8246 17.644 10.5232 17.6439 -35.6037 40.2516 10.5233 40.2515 18.9648 GPRESSAVG: 2928800 6.55436 20.9241 12.4822 15.5219 -34.104 41.043 9.01109 39.7624 18.5954 TIMING: 2928800 CPU: 8499.65, 0.0029045/step Wall: 8499.65, 0.0029045/step, 1.67106 hours remaining, 206.148438 MB of memory in use. ENERGY: 2928800 734.8674 2121.2890 1961.7501 103.5801 -205838.9195 17577.9156 0.0000 0.0000 34379.2954 -148960.2220 300.2429 -183339.5174 -148863.1625 300.0759 -74.1805 -47.6342 556673.8289 -2.9381 -2.9847 PRESSURE: 2929000 -69.6891 195.734 18.7816 195.734 40.3817 195.423 18.7824 195.424 -286.639 GPRESSURE: 2929000 -81.9008 169.352 -1.04481 203.744 62.6192 146.008 44.0898 248.418 -202.288 PRESSAVG: 2929000 84.2826 58.1521 20.5587 58.1521 -25.1094 92.9015 20.5587 92.9016 -22.1292 GPRESSAVG: 2929000 84.4826 54.3774 20.6088 60.2128 -25.6833 92.5833 23.0463 93.6794 -21.7609 TIMING: 2929000 CPU: 8500.24, 0.00293059/step Wall: 8500.24, 0.00293059/step, 1.6859 hours remaining, 206.148438 MB of memory in use. ENERGY: 2929000 724.1972 2052.4277 1978.3105 127.0962 -205605.8535 17518.8271 0.0000 0.0000 34384.6333 -148820.3615 300.2896 -183204.9948 -148716.6317 300.3530 -105.3153 -73.8565 558264.9745 12.3480 12.3461 PRESSURE: 2929200 -5.74645 -98.7565 -136.596 -98.7573 369.859 41.5843 -136.596 41.5852 225.705 GPRESSURE: 2929200 28.6336 -127.662 -122.187 -126.915 369.175 40.2584 -146.037 -38.6181 280.978 PRESSAVG: 2929200 30.7995 16.4913 23.3999 16.4913 -20.9786 35.0491 23.3999 35.0491 5.43355 GPRESSAVG: 2929200 31.7218 16.8114 26.6452 15.0332 -20.6846 35.4298 21.2735 33.8496 3.82577 TIMING: 2929200 CPU: 8500.82, 0.00292512/step Wall: 8500.82, 0.00292512/step, 1.68259 hours remaining, 206.148438 MB of memory in use. ENERGY: 2929200 702.7549 2073.0425 1995.8295 105.4401 -205998.8269 17877.3087 0.0000 0.0000 34338.7301 -148905.7211 299.8887 -183244.4512 -148808.2025 300.2968 196.6058 226.2623 556900.5500 5.0848 4.9543 PRESSURE: 2929400 167.371 -120.707 49.2226 -120.705 104.995 93.3992 49.2231 93.3994 -186.298 GPRESSURE: 2929400 182.763 -135.348 25.1152 -66.3148 176.93 163.562 34.606 66.7145 -178.194 PRESSAVG: 2929400 -14.1663 -15.6248 66.5604 -15.6248 23.3002 -42.9591 66.5603 -42.9591 14.2774 GPRESSAVG: 2929400 -15.6924 -14.3266 65.3568 -14.0603 22.067 -44.1392 65.9464 -43.7911 17.0178 TIMING: 2929400 CPU: 8501.41, 0.00292105/step Wall: 8501.41, 0.00292105/step, 1.68009 hours remaining, 206.148438 MB of memory in use. ENERGY: 2929400 719.2406 2133.3034 1936.5647 118.6094 -206006.3423 17850.2224 0.0000 0.0000 34310.9534 -148937.4485 299.6461 -183248.4018 -148837.5147 299.6269 28.6893 60.4999 558548.3275 7.8038 7.7975 PRESSURE: 2929600 22.44 -63.0696 -10.7758 -63.0692 140.027 -149.45 -10.7738 -149.45 2.23753 GPRESSURE: 2929600 65.4119 -63.4707 35.5198 -66.3167 144.362 -159.664 -59.9219 -165.193 39.2244 PRESSAVG: 2929600 -11.7438 20.7828 -4.04383 20.7829 69.9976 -41.8535 -4.04397 -41.8536 -24.8368 GPRESSAVG: 2929600 -10.7657 21.1844 -3.4147 19.5998 69.8799 -40.0112 -4.27348 -40.9967 -25.7721 TIMING: 2929600 CPU: 8501.99, 0.00292128/step Wall: 8501.99, 0.00292128/step, 1.68006 hours remaining, 206.148438 MB of memory in use. ENERGY: 2929600 741.1473 2093.6909 1970.9075 118.6071 -206103.7628 17943.0476 0.0000 0.0000 34157.5743 -149078.7881 298.3066 -183236.3624 -148985.2268 299.8133 54.9016 82.9995 557013.4642 11.1390 11.1140 PRESSURE: 2929800 -103.658 -55.466 -61.828 -55.4653 97.6146 40.4372 -61.8265 40.4388 185.917 GPRESSURE: 2929800 -89.0128 -13.0938 -51.3 -84.7868 135.263 17.6364 -63.3951 41.751 237.125 PRESSAVG: 2929800 -11.9159 39.6075 -42.0038 39.6075 -9.80403 14.0445 -42.0038 14.0445 12.6598 GPRESSAVG: 2929800 -12.2452 39.5844 -42.3542 39.3228 -8.58121 12.5121 -42.6658 13.9417 12.0675 TIMING: 2929800 CPU: 8502.58, 0.00293226/step Wall: 8502.58, 0.00293226/step, 1.68621 hours remaining, 206.148438 MB of memory in use. ENERGY: 2929800 725.9573 2090.1594 1988.2065 120.6301 -206419.0072 17931.9157 0.0000 0.0000 34463.3860 -149098.7521 300.9773 -183562.1381 -149000.1851 299.1110 59.9577 94.4583 556569.8926 -3.0200 -2.9197 PRESSURE: 2930000 -24.0082 49.6043 -73.6539 49.604 24.9535 39.7434 -73.6552 39.7443 -76.1014 GPRESSURE: 2930000 20.2561 23.5251 -25.0687 -12.3235 59.3074 13.0462 -103.512 59.7491 -49.9413 PRESSAVG: 2930000 -34.7554 -12.4263 -7.90919 -12.4263 -5.82073 49.8723 -7.90908 49.8723 46.564 GPRESSAVG: 2930000 -33.8395 -12.9101 -6.71082 -11.7473 -6.52655 48.6284 -5.19541 47.9294 46.5406 TIMING: 2930000 CPU: 8503.16, 0.00290441/step Wall: 8503.16, 0.00290441/step, 1.67004 hours remaining, 206.148438 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: 2930000 754.6464 2093.4543 1982.6103 128.0709 -206059.1411 17942.8113 0.0000 0.0000 34130.5424 -149027.0055 298.0705 -183157.5478 -148932.9882 299.5631 -25.0520 9.8740 558279.8697 1.9960 2.0582 PRESSURE: 2930200 -75.388 78.8693 -75.5865 78.8696 -58.7719 -60.5808 -75.5878 -60.5798 -153.649 GPRESSURE: 2930200 -46.0923 131.616 -31.7314 96.3122 -10.3527 -66.4633 -136.901 -54.9825 -143.608 PRESSAVG: 2930200 -55.1209 1.6317 5.1906 1.63166 -5.50731 36.1086 5.19054 36.1086 41.1315 GPRESSAVG: 2930200 -56.0552 2.00121 1.49152 0.44592 -4.54725 37.245 5.61736 37.1083 41.364 TIMING: 2930200 CPU: 8503.74, 0.00291251/step Wall: 8503.74, 0.00291251/step, 1.67453 hours remaining, 206.148438 MB of memory in use. ENERGY: 2930200 774.7310 2060.9459 1932.5018 104.9409 -205822.0878 17516.6703 0.0000 0.0000 34469.8016 -148962.4963 301.0334 -183432.2979 -148862.2542 299.5423 -95.9364 -66.6845 557978.9271 -6.4989 -6.4128 PRESSURE: 2930400 -51.5279 -114.094 -190.03 -114.094 65.2177 28.8111 -190.029 28.8102 -225.28 GPRESSURE: 2930400 -19.3744 -94.1902 -255.855 -68.0987 127.053 91.483 -182.767 -28.786 -218.382 PRESSAVG: 2930400 -69.3338 2.79887 38.5534 2.79895 55.0774 -66.9491 38.5534 -66.949 -10.4583 GPRESSAVG: 2930400 -68.8624 1.84787 40.4503 3.86005 54.3459 -66.5243 37.8569 -66.8482 -10.9 TIMING: 2930400 CPU: 8504.32, 0.00289233/step Wall: 8504.32, 0.00289233/step, 1.66277 hours remaining, 206.148438 MB of memory in use. ENERGY: 2930400 761.3698 2068.0396 1997.8032 115.0208 -205705.2048 17716.7185 0.0000 0.0000 34339.6329 -148706.6201 299.8966 -183046.2530 -148605.7982 300.4695 -70.5300 -36.9012 557809.8218 -8.2382 -8.4722 PRESSURE: 2930600 194.214 116.818 -78.106 116.817 -53.8046 12.5378 -78.1071 12.5374 -408.304 GPRESSURE: 2930600 183.283 163.211 -23.1205 94.9579 -28.6439 -65.9437 -93.6031 102.092 -313.997 PRESSAVG: 2930600 -60.9153 21.6948 -15.5365 21.6948 17.6716 -19.7799 -15.5366 -19.78 -4.35316 GPRESSAVG: 2930600 -60.1959 22.3388 -17.1771 21.2173 18.0316 -21.5155 -14.4798 -17.9275 -5.3705 TIMING: 2930600 CPU: 8504.9, 0.00289125/step Wall: 8504.9, 0.00289125/step, 1.66199 hours remaining, 206.148438 MB of memory in use. ENERGY: 2930600 777.5752 2123.6803 1964.8031 109.5839 -205943.8788 17664.6857 0.0000 0.0000 34251.3154 -149052.2352 299.1253 -183303.5506 -148953.1682 300.1244 -89.2982 -53.1193 558425.8238 -15.8656 -15.8449 PRESSURE: 2930800 32.9752 -169.371 -128.882 -169.371 257.754 3.55051 -128.88 3.54893 42.15 GPRESSURE: 2930800 78.3245 -198.251 -91.0008 -210.868 279.845 57.8203 -58.6936 -80.0614 75.0252 PRESSAVG: 2930800 -51.3919 -10.8788 55.4553 -10.8788 50.366 -8.59091 55.4552 -8.59099 -1.68916 GPRESSAVG: 2930800 -51.5016 -11.3387 58.0499 -9.23908 49.7569 -8.58991 53.7856 -7.08899 -1.55852 TIMING: 2930800 CPU: 8505.48, 0.00291848/step Wall: 8505.48, 0.00291848/step, 1.67748 hours remaining, 206.148438 MB of memory in use. ENERGY: 2930800 725.0698 2111.6075 1978.7114 113.7745 -206421.1823 18145.2290 0.0000 0.0000 34114.1593 -149232.6307 297.9274 -183346.7900 -149140.2154 298.9115 110.9598 144.3981 558707.7069 -0.9050 -1.1011 PRESSURE: 2931000 -247.812 -93.7147 108.835 -93.7149 -108.171 107.426 108.835 107.427 242.218 GPRESSURE: 2931000 -232.801 -67.0714 136.981 -6.66697 -115.005 130.623 114.331 66.9918 322.923 PRESSAVG: 2931000 0.888961 -42.7163 9.55403 -42.7163 -11.0469 -42.8371 9.55398 -42.8371 46.9357 GPRESSAVG: 2931000 0.140284 -41.9068 8.49851 -45.3809 -10.7236 -41.6942 9.36195 -44.6713 46.6974 TIMING: 2931000 CPU: 8506.07, 0.00292026/step Wall: 8506.07, 0.00292026/step, 1.67834 hours remaining, 206.148438 MB of memory in use. ENERGY: 2931000 746.9780 2096.7246 1979.7414 112.3012 -206008.5567 17675.4603 0.0000 0.0000 34292.0193 -149105.3319 299.4807 -183397.3512 -149015.2664 299.0335 -37.9218 -8.2944 558261.3597 12.2593 12.0380 PRESSURE: 2931200 46.3815 -218.873 -256.004 -218.873 -7.53254 129.204 -256.005 129.204 -104.652 GPRESSURE: 2931200 124.536 -249.302 -300.654 -223.777 -20.8031 112.522 -210.747 94.7022 -78.1189 PRESSAVG: 2931200 3.51646 8.18697 -4.15118 8.1869 -20.2696 4.74724 -4.15126 4.74719 11.3007 GPRESSAVG: 2931200 3.10353 6.86962 -6.23212 11.1171 -20.5759 5.53393 -3.14371 2.58719 11.569 TIMING: 2931200 CPU: 8506.65, 0.00292037/step Wall: 8506.65, 0.00292037/step, 1.67824 hours remaining, 206.148438 MB of memory in use. ENERGY: 2931200 740.7876 2098.9956 1951.0314 107.2721 -206542.1409 18024.2636 0.0000 0.0000 34474.7339 -149145.0567 301.0764 -183619.7906 -149048.4070 300.3420 -21.9342 8.5379 558056.1851 -1.8175 -1.9678 PRESSURE: 2931400 -7.08836 -124.274 61.9394 -124.274 76.3296 -24.182 61.9391 -24.1818 99.7408 GPRESSURE: 2931400 40.2906 -185.661 96.8764 -113.627 129.205 6.03961 54.3308 -54.1834 99.5475 PRESSAVG: 2931400 13.2934 -41.6065 -4.79624 -41.6066 -39.512 7.75295 -4.79615 7.75276 3.61286 GPRESSAVG: 2931400 13.9001 -39.9569 -1.44869 -42.0395 -38.7767 7.17497 -5.51546 9.70064 2.46591 TIMING: 2931400 CPU: 8507.23, 0.00289455/step Wall: 8507.23, 0.00289455/step, 1.66324 hours remaining, 206.148438 MB of memory in use. ENERGY: 2931400 724.3593 2098.8195 1973.8876 121.0667 -206362.9415 17969.6480 0.0000 0.0000 34305.0163 -149170.1442 299.5942 -183475.1605 -149074.2039 299.8167 56.3273 89.6811 558346.9956 -7.5353 -7.4702 PRESSURE: 2931600 -90.8824 1.35774 -40.796 1.35643 -342.674 44.0464 -40.796 44.045 -132.551 GPRESSURE: 2931600 -105.606 -46.0552 78.5707 65.7457 -285.703 82.6081 -160.406 -1.02716 -70.6504 PRESSAVG: 2931600 62.7164 -41.1407 15.8314 -41.1407 -19.1191 -21.2804 15.8315 -21.2805 13.0171 GPRESSAVG: 2931600 62.5057 -42.6953 15.227 -41.2164 -19.9344 -20.801 14.2281 -21.7131 14.707 TIMING: 2931600 CPU: 8507.81, 0.00289123/step Wall: 8507.81, 0.00289123/step, 1.66117 hours remaining, 206.148438 MB of memory in use. ENERGY: 2931600 768.3905 2134.7019 1991.0264 101.8545 -206159.5703 17674.3699 0.0000 0.0000 34319.3404 -149169.8867 299.7193 -183489.2271 -149072.6273 299.9895 -188.7027 -153.9865 559520.1183 18.8715 19.0928 PRESSURE: 2931800 -206.262 -35.2468 -86.8914 -35.2474 -120.405 71.2999 -86.8913 71.2995 55.569 GPRESSURE: 2931800 -173.207 -57.4627 -30.0471 -60.5376 -78.0732 74.2479 -101.935 39.0611 72.6243 PRESSAVG: 2931800 15.4713 -44.4765 6.70532 -44.4765 -57.4678 34.4303 6.70542 34.4302 55.2913 GPRESSAVG: 2931800 15.338 -45.2338 3.97822 -45.1255 -56.5649 33.3418 9.4386 35.346 54.6241 TIMING: 2931800 CPU: 8508.39, 0.00290064/step Wall: 8508.39, 0.00290064/step, 1.66642 hours remaining, 206.148438 MB of memory in use. ENERGY: 2931800 792.6047 2141.1707 1984.7838 127.5240 -206439.8965 17905.4271 0.0000 0.0000 34293.6142 -149194.7720 299.4947 -183488.3862 -149103.1980 298.9329 -90.3659 -59.5520 559153.0584 4.4316 4.4657 PRESSURE: 2932000 61.9086 59.3659 46.3341 59.3662 182.658 39.1134 46.3327 39.1135 240.435 GPRESSURE: 2932000 35.4307 43.454 25.1334 0.0108888 229.675 76.5569 92.6076 -45.0895 307.488 PRESSAVG: 2932000 -36.0009 22.7434 -5.71541 22.7434 -2.41351 20.6155 -5.71538 20.6155 36.7307 GPRESSAVG: 2932000 -34.4399 24.8576 -5.2853 22.0988 -3.23592 20.4781 -5.69888 19.5715 36.2193 TIMING: 2932000 CPU: 8508.97, 0.0028975/step Wall: 8508.97, 0.0028975/step, 1.66446 hours remaining, 206.148438 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: 2932000 730.2548 2160.8802 1961.9612 112.1040 -206511.8259 18089.6553 0.0000 0.0000 34445.8031 -149011.1672 300.8238 -183456.9703 -148911.0987 299.2939 161.6669 190.8645 557097.2018 -0.5613 -0.4855 PRESSURE: 2932200 -50.1139 -36.0451 21.3054 -36.0448 -96.8203 -33.3471 21.3051 -33.3452 -87.3623 GPRESSURE: 2932200 -31.4259 -13.2057 47.7367 -106.293 -76.2665 -45.7035 29.1137 -37.7425 -39.549 PRESSAVG: 2932200 -38.0518 39.5108 -18.97 39.5108 13.0147 -38.6206 -18.97 -38.6208 20.2569 GPRESSAVG: 2932200 -39.6051 38.3585 -18.308 39.9699 14.0043 -38.9162 -20.1956 -38.4076 20.9941 TIMING: 2932200 CPU: 8509.55, 0.00290509/step Wall: 8509.55, 0.00290509/step, 1.66865 hours remaining, 206.148438 MB of memory in use. ENERGY: 2932200 737.8370 2129.3680 1953.3101 96.7943 -205957.0706 17608.5463 0.0000 0.0000 34286.0516 -149145.1632 299.4286 -183431.2148 -149043.7202 299.2797 -78.0988 -49.0805 558484.1582 -1.5934 -1.5355 LDB: ============= START OF LOAD BALANCING ============== 8513.01 LDB: ============== END OF LOAD BALANCING =============== 8513.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8513.01 LDB: ============= START OF LOAD BALANCING ============== 8513.31 LDB: Largest compute 4820 load 0.027918 is 23.7% of average load 0.117938 LDB: Average compute 0.001708 is 1.4% of average load 0.117938 LDB: TIME 8513.31 LOAD: AVG 0.117938 MAX 0.179099 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 8513.31 LOAD: AVG 0.117938 MAX 0.179099 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.242 MB LDB: TIME 8513.31 LOAD: AVG 0.117938 MAX 0.179099 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8513.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8513.31 PRESSURE: 2932400 -60.7283 14.2763 -313.984 14.2774 -154.044 -119.143 -313.984 -119.145 71.2957 GPRESSURE: 2932400 -43.9459 27.5007 -320.475 -76.9331 -86.6663 -224.159 -213.232 -11.8892 84.6483 PRESSAVG: 2932400 -21.6209 -26.1444 21.8165 -26.1444 -14.5808 -42.8427 21.8165 -42.8426 -11.5765 GPRESSAVG: 2932400 -20.4462 -25.1477 22.1459 -26.0743 -15.05 -41.8867 22.395 -41.1221 -12.1668 TIMING: 2932400 CPU: 8510.14, 0.00295785/step Wall: 8510.14, 0.00295785/step, 1.69879 hours remaining, 206.914062 MB of memory in use. ENERGY: 2932400 731.8586 2074.7021 1962.0596 106.3619 -205809.9804 17517.4170 0.0000 0.0000 34310.0375 -149107.5438 299.6381 -183417.5813 -149017.4791 298.8741 -47.8254 -15.3213 557390.3071 -15.9261 -15.8877 PRESSURE: 2932600 -178.249 -37.0279 -192.779 -37.0275 95.14 -55.9976 -192.78 -55.9953 13.2727 GPRESSURE: 2932600 -76.8066 -181.962 -142.738 10.8145 113.033 -143.198 -35.17 -65.3171 -12.4819 PRESSAVG: 2932600 1.99209 0.744637 -3.78762 0.74464 13.2331 -32.6568 -3.78761 -32.6567 -30.2341 GPRESSAVG: 2932600 2.71294 -0.0784586 -3.40265 1.03764 13.0484 -33.4172 -5.03487 -33.1361 -30.0733 TIMING: 2932600 CPU: 8510.72, 0.00290812/step Wall: 8510.72, 0.00290812/step, 1.67007 hours remaining, 207.351562 MB of memory in use. ENERGY: 2932600 747.9814 2088.9925 1986.3590 118.1725 -206004.0734 17701.1401 0.0000 0.0000 34301.8581 -149059.5699 299.5667 -183361.4279 -148968.4315 299.6142 -23.2789 7.9148 557380.1573 -5.0030 -4.7707 PRESSURE: 2932800 137.422 68.1481 61.9204 68.148 -38.4581 47.4474 61.9211 47.4476 -122.101 GPRESSURE: 2932800 174.948 -11.541 66.3717 78.0236 -52.5558 105.433 23.5078 48.1349 -41.6209 PRESSAVG: 2932800 14.0173 -61.5328 -31.8302 -61.5327 -8.85871 -24.3023 -31.8303 -24.3022 6.12888 GPRESSAVG: 2932800 13.7153 -61.371 -33.5257 -62.0496 -8.39496 -24.064 -30.3629 -27.1389 6.00414 TIMING: 2932800 CPU: 8511.3, 0.00291282/step Wall: 8511.3, 0.00291282/step, 1.67261 hours remaining, 207.351562 MB of memory in use. ENERGY: 2932800 746.9494 2152.7438 1975.7582 112.5067 -206151.1127 17822.0330 0.0000 0.0000 34307.8357 -149033.2859 299.6189 -183341.1216 -148941.0672 299.8728 -7.7122 26.9236 556851.1575 3.7625 3.7748 PRESSURE: 2933000 -103.532 -36.124 71.8363 -36.1236 175.533 -84.7379 71.8358 -84.7379 112.13 GPRESSURE: 2933000 -35.7005 -29.1433 20.8739 -1.52064 151.31 -60.0647 37.0251 -114.874 152.818 PRESSAVG: 2933000 11.1865 6.97833 25.4094 6.97828 -21.7638 -18.4515 25.4094 -18.4514 11.2083 GPRESSAVG: 2933000 9.84962 6.70103 24.4118 8.32537 -20.9053 -16.5819 25.6245 -17.5857 11.4173 TIMING: 2933000 CPU: 8511.88, 0.00290524/step Wall: 8511.88, 0.00290524/step, 1.66809 hours remaining, 207.351562 MB of memory in use. ENERGY: 2933000 764.0908 2120.3774 1984.2517 108.5451 -206061.9143 17744.2662 0.0000 0.0000 34371.1494 -148969.2337 300.1718 -183340.3832 -148871.1820 299.1482 61.3768 89.4757 556040.6715 0.2103 0.1206 PRESSURE: 2933200 -182.125 -66.5929 78.1888 -66.5934 -23.2886 -100.699 78.1891 -100.699 -172.376 GPRESSURE: 2933200 -98.6931 -179.633 25.322 -29.722 -31.6923 -55.5977 162.515 -139.744 -147.691 PRESSAVG: 2933200 -58.4697 2.10168 -3.58075 2.10173 19.3128 -35.054 -3.58079 -35.0541 46.0954 GPRESSAVG: 2933200 -57.9751 1.28496 -0.15778 0.665324 18.4703 -35.5798 -3.59292 -36.2279 46.0856 TIMING: 2933200 CPU: 8512.46, 0.0028898/step Wall: 8512.46, 0.0028898/step, 1.65906 hours remaining, 207.351562 MB of memory in use. ENERGY: 2933200 758.3815 2100.5949 1988.2786 120.1523 -205944.7635 17572.3770 0.0000 0.0000 34331.2412 -149073.7379 299.8233 -183404.9791 -148978.7310 299.2064 -125.9300 -92.6921 556172.5402 2.3128 2.1936 PRESSURE: 2933400 187.955 -43.5962 137.022 -43.5957 -211.09 -244.104 137.023 -244.104 107.218 GPRESSURE: 2933400 166.133 -7.44831 152.987 -0.354211 -122.587 -286 150.004 -244.653 139.916 PRESSAVG: 2933400 -31.1271 27.4387 58.972 27.4388 -26.9565 -45.9729 58.9722 -45.9729 55.683 GPRESSAVG: 2933400 -31.5858 30.6331 58.0253 27.4667 -26.9791 -48.0505 59.6549 -43.4907 56.1384 TIMING: 2933400 CPU: 8513.04, 0.00289528/step Wall: 8513.04, 0.00289528/step, 1.66205 hours remaining, 207.351562 MB of memory in use. ENERGY: 2933400 718.9773 2117.2980 1990.5613 115.5893 -205998.5771 17773.4014 0.0000 0.0000 34375.5189 -148907.2309 300.2100 -183282.7498 -148808.8079 299.7003 28.0277 61.1543 556922.0549 -0.8002 -0.8088 PRESSURE: 2933600 25.0977 2.2926 -183.023 2.29235 268.784 44.2366 -183.022 44.2366 360.554 GPRESSURE: 2933600 80.334 50.4499 -207.222 -45.0511 285.782 71.3999 -160.671 70.8193 390.041 PRESSAVG: 2933600 16.1999 50.8187 49.9692 50.8187 -27.4461 -10.6357 49.9693 -10.6356 43.617 GPRESSAVG: 2933600 16.9361 48.3043 49.2797 52.4376 -27.4374 -9.6204 47.4542 -11.8609 42.8428 TIMING: 2933600 CPU: 8513.62, 0.0028953/step Wall: 8513.62, 0.0028953/step, 1.6619 hours remaining, 207.351562 MB of memory in use. ENERGY: 2933600 721.8792 2131.3892 1964.5356 117.6489 -206243.8319 18080.5321 0.0000 0.0000 34404.3337 -148823.5132 300.4616 -183227.8469 -148727.0075 300.5579 218.1453 252.0523 555916.7845 10.7903 10.7805 PRESSURE: 2933800 -187.854 -60.24 -137.261 -60.2397 -60.6503 126.031 -137.261 126.031 -103.938 GPRESSURE: 2933800 -190.402 -129.096 -78.6056 -53.7093 -19.5532 148.385 -122.736 88.7783 -41.5711 PRESSAVG: 2933800 -40.8296 -15.2698 -34.6164 -15.2699 11.4642 4.66724 -34.6164 4.66736 20.673 GPRESSAVG: 2933800 -42.2912 -15.1092 -32.9728 -16.7781 12.1588 3.41507 -35.2944 4.58378 21.7146 TIMING: 2933800 CPU: 8514.2, 0.00289108/step Wall: 8514.2, 0.00289108/step, 1.65932 hours remaining, 207.351562 MB of memory in use. ENERGY: 2933800 771.5657 2137.4232 1982.2158 104.7080 -205803.3003 17593.1969 0.0000 0.0000 34325.8616 -148888.3291 299.7763 -183214.1907 -148801.8874 300.2912 -117.4810 -83.8420 557750.6587 -2.8975 -2.8059 PRESSURE: 2934000 82.4413 114.2 46.9448 114.2 -116.731 -152.596 46.9437 -152.596 18.7197 GPRESSURE: 2934000 99.0214 114.909 19.8352 144.655 -52.4048 -110.574 13.8141 -108.023 32.9296 PRESSAVG: 2934000 24.1966 -16.9672 -43.4167 -16.9672 -27.2488 -10.7944 -43.4167 -10.7944 39.6398 GPRESSAVG: 2934000 26.3425 -14.8038 -45.2948 -18.0825 -28.4155 -11.8844 -43.8989 -10.8577 38.373 TIMING: 2934000 CPU: 8514.78, 0.00290455/step Wall: 8514.78, 0.00290455/step, 1.66689 hours remaining, 207.351562 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: 2934000 770.9528 2126.4703 1948.0926 123.5062 -206261.5564 18010.9789 0.0000 0.0000 34333.7146 -148947.8409 299.8449 -183281.5556 -148850.6609 299.8504 -5.1901 26.5154 558365.9359 12.1959 12.1000 PRESSURE: 2934200 138.024 38.9603 -51.9706 38.9609 47.3465 51.2607 -51.9733 51.2606 -95.5158 GPRESSURE: 2934200 116.891 135.215 -80.6242 -55.0987 116.22 -17.293 -131.549 113.974 -56.2838 PRESSAVG: 2934200 61.8733 -27.019 -41.4126 -27.019 -49.6387 -26.0262 -41.4126 -26.0261 14.3976 GPRESSAVG: 2934200 60.6074 -28.8022 -41.5947 -25.5835 -49.0464 -25.2515 -40.5413 -24.4477 14.6669 TIMING: 2934200 CPU: 8515.36, 0.00289397/step Wall: 8515.36, 0.00289397/step, 1.66066 hours remaining, 207.351562 MB of memory in use. ENERGY: 2934200 786.3273 2073.8832 1965.8703 119.1023 -206185.8343 17900.5578 0.0000 0.0000 34330.2738 -149009.8197 299.8148 -183340.0935 -148911.7435 300.2337 29.9516 58.9423 557906.5795 8.8774 8.7426 PRESSURE: 2934400 -99.5655 33.444 -76.342 33.4437 173.557 -15.6673 -76.3414 -15.6651 174.217 GPRESSURE: 2934400 -57.3169 100.721 1.01693 7.73545 210.904 -134.105 -97.0189 15.2715 185.717 PRESSAVG: 2934400 -4.4821 0.851256 -46.0552 0.851234 16.0906 8.7073 -46.0551 8.70728 40.864 GPRESSAVG: 2934400 -2.84817 0.956321 -44.4036 0.680722 15.5903 8.30927 -47.2403 6.95222 39.5664 TIMING: 2934400 CPU: 8515.93, 0.00288536/step Wall: 8515.93, 0.00288536/step, 1.65556 hours remaining, 207.351562 MB of memory in use. ENERGY: 2934400 742.5610 2116.3358 1979.9965 112.5859 -206126.6274 17973.1436 0.0000 0.0000 34289.5340 -148912.4705 299.4590 -183202.0045 -148812.5125 299.9871 82.7360 113.1015 558772.9768 17.4908 17.4362 PRESSURE: 2934600 -65.3893 -140.769 -6.84491 -140.768 -249.694 261.438 -6.84342 261.438 -258.512 GPRESSURE: 2934600 -2.25536 -99.7051 132.388 -122.281 -236.144 260.888 15.5771 205.678 -249.248 PRESSAVG: 2934600 -19.2544 1.72649 -11.502 1.72658 11.7359 108.668 -11.502 108.668 -0.437981 GPRESSAVG: 2934600 -21.3633 2.4547 -10.5852 1.485 11.3252 109.821 -9.64652 108.694 2.18446 TIMING: 2934600 CPU: 8516.52, 0.00291178/step Wall: 8516.52, 0.00291178/step, 1.67055 hours remaining, 207.351562 MB of memory in use. ENERGY: 2934600 712.9609 2178.2514 1980.4038 106.8597 -205724.5487 17432.8952 0.0000 0.0000 34283.8976 -149029.2801 299.4098 -183313.1776 -148926.8454 299.2531 -191.1985 -162.5492 558367.4325 -2.6522 -2.6179 PRESSURE: 2934800 -213.729 -37.7812 -115.883 -37.7814 -83.7183 111.965 -115.883 111.965 -298.847 GPRESSURE: 2934800 -180.658 -37.9648 -125.187 -48.6644 -40.7779 125.713 -68.4625 104.342 -278.616 PRESSAVG: 2934800 -1.15072 -29.9868 25.0831 -29.9868 9.03665 85.6581 25.0831 85.6581 -5.5576 GPRESSAVG: 2934800 0.543783 -31.2371 23.2467 -30.0716 9.47049 84.5386 24.5063 88.465 -7.86706 TIMING: 2934800 CPU: 8517.09, 0.00288473/step Wall: 8517.09, 0.00288473/step, 1.65487 hours remaining, 207.351562 MB of memory in use. ENERGY: 2934800 759.3232 2145.9770 1964.9136 111.4287 -205600.3334 17508.7107 0.0000 0.0000 34075.9159 -149034.0644 297.5934 -183109.9804 -148942.5660 299.8527 -198.7648 -166.6841 559058.5019 0.7761 0.7157 PRESSURE: 2935000 7.57288 174.917 11.3282 174.918 -70.2216 289.773 11.3275 289.773 -37.9554 GPRESSURE: 2935000 -1.41937 76.2825 86.6687 154.3 -15.1253 195.697 -27.4723 236.395 28.0371 PRESSAVG: 2935000 -102.244 -17.8506 11.9145 -17.8506 93.4572 63.3063 11.9145 63.3063 11.0838 GPRESSAVG: 2935000 -104.546 -18.3249 12.9293 -17.3043 94.3266 63.7606 11.4892 60.5583 12.1252 TIMING: 2935000 CPU: 8517.67, 0.00288423/step Wall: 8517.67, 0.00288423/step, 1.65443 hours remaining, 207.351562 MB of memory in use. ENERGY: 2935000 745.7320 2067.3900 1960.9013 108.6036 -206157.4536 17870.1802 0.0000 0.0000 34236.8626 -149167.7840 298.9990 -183404.6465 -149076.3933 299.5070 -33.5347 3.8308 558439.1654 0.7655 0.6351 PRESSURE: 2935200 50.577 -178.199 95.065 -178.199 -21.6819 -153.523 95.0658 -153.524 29.8411 GPRESSURE: 2935200 62.3437 -101.594 79.5786 -88.5896 -25.97 -155.495 77.9601 -146.243 118.049 PRESSAVG: 2935200 83.5651 -6.27488 10.8015 -6.27488 -43.0168 43.8526 10.8016 43.8525 8.88312 GPRESSAVG: 2935200 84.5971 -2.93335 10.0292 -9.1121 -43.9513 43.2937 11.0192 44.6665 8.84722 TIMING: 2935200 CPU: 8518.25, 0.00290672/step Wall: 8518.25, 0.00290672/step, 1.66716 hours remaining, 207.417969 MB of memory in use. ENERGY: 2935200 741.1906 2115.0589 1954.9757 108.3671 -206303.2101 17918.2486 0.0000 0.0000 34317.0997 -149148.2694 299.6998 -183465.3691 -149051.7319 299.6179 19.5787 51.4742 558209.4132 16.4772 16.4977 PRESSURE: 2935400 -85.5177 23.7669 178.49 23.768 163.64 -42.7556 178.491 -42.756 -201.26 GPRESSURE: 2935400 -59.116 -42.4951 188.093 16.988 203.627 -81.7323 182.84 -5.91796 -157.9 PRESSAVG: 2935400 -6.26843 -51.5159 73.3468 -51.5159 -35.3477 -24.8318 73.3467 -24.8319 46.2009 GPRESSAVG: 2935400 -6.63825 -52.3214 74.2175 -50.5319 -34.9318 -25.847 72.973 -24.1341 46.3461 TIMING: 2935400 CPU: 8518.83, 0.00290008/step Wall: 8518.83, 0.00290008/step, 1.66319 hours remaining, 207.621094 MB of memory in use. ENERGY: 2935400 758.0421 2102.8601 1962.0107 122.4185 -206406.9295 17982.5023 0.0000 0.0000 34184.5415 -149294.5544 298.5421 -183479.0959 -149194.4427 299.5993 -41.0458 -4.4630 557510.0186 1.5283 1.5920 PRESSURE: 2935600 -101.656 -97.9839 71.274 -97.9852 63.918 74.8141 71.2746 74.8157 109.197 GPRESSURE: 2935600 -78.7085 -162.949 43.7609 -169.974 77.9492 53.4084 117.91 69.2757 154.049 PRESSAVG: 2935600 -41.0971 15.2059 16.168 15.2059 9.63149 -24.9588 16.1679 -24.9587 42.5727 GPRESSAVG: 2935600 -40.8797 14.7634 14.3438 15.9539 8.67685 -23.4077 17.6809 -25.3492 43.4768 TIMING: 2935600 CPU: 8519.42, 0.00292754/step Wall: 8519.42, 0.00292754/step, 1.67878 hours remaining, 207.621094 MB of memory in use. ENERGY: 2935600 711.8915 2139.7476 1968.9843 129.0116 -206252.3894 17941.9607 0.0000 0.0000 34135.4305 -149225.3632 298.1132 -183360.7937 -149143.7873 299.6999 23.8196 51.0967 558161.9230 3.7024 3.7580 PRESSURE: 2935800 299.377 -323.455 -71.939 -323.455 141.729 -38.5688 -71.94 -38.5696 -160.338 GPRESSURE: 2935800 316.186 -238.176 -31.3677 -305.229 181.581 36.6767 -79.5138 -42.1635 -116.862 PRESSAVG: 2935800 -21.6662 -40.0514 -15.4465 -40.0513 80.8956 -43.7739 -15.4466 -43.774 -29.8877 GPRESSAVG: 2935800 -21.1737 -39.6989 -13.8558 -40.5149 81.6932 -42.6877 -17.2072 -44.9369 -31.1377 TIMING: 2935800 CPU: 8520, 0.0029294/step Wall: 8520, 0.00292941/step, 1.67969 hours remaining, 207.621094 MB of memory in use. ENERGY: 2935800 762.3685 2114.2416 1999.0987 113.5894 -206555.4732 17978.4394 0.0000 0.0000 34351.8943 -149235.8414 300.0036 -183587.7357 -149135.6138 299.8040 93.5894 126.9683 557015.0617 9.7806 9.7939 PRESSURE: 2936000 -198.16 -69.0688 138.77 -69.0671 128.501 -90.6273 138.768 -90.6287 -79.7486 GPRESSURE: 2936000 -199.929 -72.7257 138.312 -54.0241 182.496 -134.907 62.2671 -68.7804 -35.7058 PRESSAVG: 2936000 -42.8408 -22.2657 9.1778 -22.2658 59.7342 6.05134 9.17777 6.05145 -23.6729 GPRESSAVG: 2936000 -42.7769 -22.6857 8.47399 -22.5596 59.3995 4.65858 11.2751 7.39885 -23.2237 TIMING: 2936000 CPU: 8520.59, 0.00293282/step Wall: 8520.59, 0.00293282/step, 1.68148 hours remaining, 207.621094 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: 2936000 779.1626 2103.3238 1981.3741 103.9167 -206314.8928 17794.8835 0.0000 0.0000 34338.4697 -149213.7625 299.8864 -183552.2322 -149119.3594 299.7138 -49.8024 -17.7130 558047.8449 -2.2598 -2.2004 PRESSURE: 2936200 -191.578 38.0322 -37.6182 38.0312 27.514 140.593 -37.6184 140.593 -59.7258 GPRESSURE: 2936200 -135.286 5.8189 0.635136 20.0043 40.2463 85.9728 -26.5126 174.412 -31.1415 PRESSAVG: 2936200 -34.3185 20.1901 33.2215 20.1902 65.6824 8.76731 33.2216 8.76724 -36.8607 GPRESSAVG: 2936200 -33.642 22.3322 33.8352 21.7259 65.5972 7.10533 31.9995 8.14147 -37.1167 TIMING: 2936200 CPU: 8521.17, 0.00290651/step Wall: 8521.17, 0.00290651/step, 1.66624 hours remaining, 207.621094 MB of memory in use. ENERGY: 2936200 771.5029 2132.9405 1948.5031 124.9378 -206144.1823 17734.1606 0.0000 0.0000 34354.4863 -149077.6512 300.0263 -183432.1375 -148976.1374 299.1307 -74.5966 -42.0605 557398.5170 -1.8322 -1.7205 LDB: ============= START OF LOAD BALANCING ============== 8524.64 LDB: ============== END OF LOAD BALANCING =============== 8524.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8524.64 LDB: ============= START OF LOAD BALANCING ============== 8524.94 LDB: Largest compute 4821 load 0.027163 is 23.1% of average load 0.117795 LDB: Average compute 0.001710 is 1.5% of average load 0.117795 LDB: TIME 8524.94 LOAD: AVG 0.117795 MAX 0.176727 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.207 MB LDB: TIME 8524.94 LOAD: AVG 0.117795 MAX 0.176727 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 8524.94 LOAD: AVG 0.117795 MAX 0.176727 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8524.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8524.95 PRESSURE: 2936400 116.461 166.469 55.77 166.47 41.2555 98.0169 55.7704 98.0178 9.22649 GPRESSURE: 2936400 168.615 167.618 -31.4647 141.131 43.8758 82.7707 135.901 61.9855 41.9541 PRESSAVG: 2936400 -94.2014 68.8918 -41.8969 68.8918 98.7875 25.0279 -41.8969 25.0279 -16.0952 GPRESSAVG: 2936400 -94.188 67.0477 -42.0511 67.5158 99.3096 25.6519 -42.1023 25.1017 -16.7463 TIMING: 2936400 CPU: 8521.77, 0.00299123/step Wall: 8521.77, 0.00299122/step, 1.71464 hours remaining, 206.488281 MB of memory in use. ENERGY: 2936400 750.0571 2136.8691 1962.5178 114.4805 -206180.8390 17788.1322 0.0000 0.0000 34297.3729 -149131.4094 299.5275 -183428.7823 -149027.6611 299.2604 55.6476 84.8151 557304.6949 -3.8364 -3.8749 PRESSURE: 2936600 -20.1871 26.4807 -179.916 26.4812 33.2354 -152.868 -179.916 -152.868 53.7724 GPRESSURE: 2936600 -4.90859 3.37141 -138.459 50.4248 40.7583 -166.31 -240.494 -122.455 128.754 PRESSAVG: 2936600 -14.3432 -4.25065 -29.4562 -4.25067 71.1278 -51.9905 -29.4561 -51.9906 -68.554 GPRESSAVG: 2936600 -14.5698 -6.25264 -28.8507 -3.92841 71.0317 -51.5475 -31.3415 -51.7218 -67.844 TIMING: 2936600 CPU: 8522.35, 0.0029207/step Wall: 8522.35, 0.00292071/step, 1.67405 hours remaining, 206.945312 MB of memory in use. ENERGY: 2936600 757.9349 2132.8866 1968.8941 122.8057 -206219.4754 17878.6758 0.0000 0.0000 34126.9422 -149231.3361 298.0391 -183358.2783 -149131.5134 299.1581 22.2736 54.8678 556693.9175 -3.9231 -3.7940 PRESSURE: 2936800 -82.9698 125.014 35.9911 125.014 138.317 -125.831 35.9903 -125.828 147.101 GPRESSURE: 2936800 -24.2817 161.908 93.5881 104.809 201.528 -140.057 124.165 -92.097 115.514 PRESSAVG: 2936800 2.90734 22.7456 24.6561 22.7456 48.3639 -18.4615 24.656 -18.4615 -16.5098 GPRESSAVG: 2936800 3.60459 24.8353 24.139 22.0763 48.1214 -18.3604 27.0834 -18.4587 -16.2517 TIMING: 2936800 CPU: 8522.93, 0.00290444/step Wall: 8522.93, 0.00290444/step, 1.66457 hours remaining, 207.179688 MB of memory in use. ENERGY: 2936800 759.1530 2119.8761 1975.7489 119.5046 -206522.7241 18061.2119 0.0000 0.0000 34204.4312 -149282.7984 298.7158 -183487.2296 -149193.6315 299.3891 67.4828 97.5867 557683.3224 11.5872 11.8248 PRESSURE: 2937000 287.37 -21.4529 35.9194 -21.4528 -177.069 -27.29 35.9187 -27.2916 145.81 GPRESSURE: 2937000 308.89 -83.748 77.4299 10.9396 -138.807 0.322969 -4.95819 0.400952 177.134 PRESSAVG: 2937000 16.1435 30.8411 -8.45877 30.8411 -18.9392 -17.1278 -8.45871 -17.1278 7.45125 GPRESSAVG: 2937000 15.81 31.144 -9.11146 31.8094 -17.289 -13.6063 -10.1298 -18.4583 6.54298 TIMING: 2937000 CPU: 8523.52, 0.00290133/step Wall: 8523.52, 0.00290133/step, 1.66263 hours remaining, 207.179688 MB of memory in use. ENERGY: 2937000 738.9371 2096.7021 1967.3736 112.1163 -206423.5499 17910.2855 0.0000 0.0000 34238.0461 -149360.0892 299.0094 -183598.1353 -149265.3553 299.1150 85.3699 115.7391 556171.8080 1.5518 1.6880 PRESSURE: 2937200 43.0822 46.1814 20.4397 46.1817 65.4281 31.5171 20.4398 31.516 -46.0673 GPRESSURE: 2937200 90.2306 7.85842 112.994 60.2156 128.157 92.4398 -16.7271 25.7283 -64.622 PRESSAVG: 2937200 7.19727 31.0671 -3.84838 31.0672 25.8311 6.46475 -3.8484 6.46494 -40.5363 GPRESSAVG: 2937200 6.92951 29.5986 -2.94277 29.7839 25.6182 3.77556 -1.62028 9.17466 -39.7389 TIMING: 2937200 CPU: 8524.09, 0.00288537/step Wall: 8524.09, 0.00288537/step, 1.65332 hours remaining, 207.179688 MB of memory in use. ENERGY: 2937200 731.3816 2087.1330 1948.8565 107.0293 -206299.5248 17846.3130 0.0000 0.0000 34155.6918 -149423.1197 298.2902 -183578.8115 -149326.2172 298.8501 20.8143 51.2551 556330.9192 -2.5026 -2.3971 PRESSURE: 2937400 -281.934 59.615 -158.431 59.6154 -316.204 -111.005 -158.432 -111.003 -322.829 GPRESSURE: 2937400 -242.567 19.6288 -209.629 -19.4625 -254.785 -128.177 -152.716 -75.0843 -340.465 PRESSAVG: 2937400 -3.07907 11.1052 33.4388 11.1052 19.982 8.69937 33.439 8.69945 -8.90989 GPRESSAVG: 2937400 -2.57027 11.1682 33.2166 12.0705 19.7098 9.22837 32.8207 5.65976 -8.90587 TIMING: 2937400 CPU: 8524.67, 0.00290903/step Wall: 8524.67, 0.00290903/step, 1.66671 hours remaining, 207.253906 MB of memory in use. ENERGY: 2937400 754.6087 2105.9649 1985.8438 116.7398 -205954.0753 17434.3459 0.0000 0.0000 34266.5921 -149289.9801 299.2587 -183556.5722 -149192.7664 298.7812 -306.9889 -279.2723 560385.1400 2.6643 2.7446 PRESSURE: 2937600 -97.1084 -95.3432 -15.3893 -95.3435 -112.025 2.46504 -15.3898 2.46587 -64.4709 GPRESSURE: 2937600 -72.9805 -213.984 18.5072 -58.7484 -107.531 -11.4623 -1.8353 50.9856 2.19608 PRESSAVG: 2937600 -36.2278 -29.7382 -22.5107 -29.7383 41.9456 -49.443 -22.5107 -49.4431 -6.84583 GPRESSAVG: 2937600 -36.8014 -27.9886 -21.7454 -30.476 41.7576 -50.0897 -22.6002 -46.473 -6.05864 TIMING: 2937600 CPU: 8525.26, 0.00292224/step Wall: 8525.26, 0.00292224/step, 1.67412 hours remaining, 207.253906 MB of memory in use. ENERGY: 2937600 742.7703 2145.6712 1960.2212 107.0774 -206442.9222 17862.4631 0.0000 0.0000 34173.3384 -149451.3806 298.4443 -183624.7190 -149350.2537 298.9224 -91.2013 -59.4385 558046.2686 -0.3760 -0.3675 PRESSURE: 2937800 -64.7767 -255.977 -69.46 -255.978 -31.1886 -4.80768 -69.4605 -4.80643 255.484 GPRESSURE: 2937800 22.9776 -236.883 -3.69976 -178.586 14.7473 35.4078 -0.727623 -122.953 208.989 PRESSAVG: 2937800 -21.8295 -51.539 -7.22317 -51.539 70.4927 -36.6626 -7.22317 -36.6626 6.3236 GPRESSAVG: 2937800 -21.9957 -51.9212 -8.71469 -49.9671 69.944 -37.8979 -6.95372 -36.6698 6.70671 TIMING: 2937800 CPU: 8525.84, 0.00291478/step Wall: 8525.84, 0.00291478/step, 1.66968 hours remaining, 207.253906 MB of memory in use. ENERGY: 2937800 735.7980 2150.6577 1929.4174 104.4582 -206583.4298 17969.0135 0.0000 0.0000 34116.3413 -149577.7437 297.9465 -183694.0849 -149481.2112 299.6385 53.1728 82.2380 557236.1376 18.3289 18.2183 PRESSURE: 2938000 -187.248 35.0788 37.3728 35.0785 107.959 -13.1938 37.3729 -13.1954 -337.057 GPRESSURE: 2938000 -181.519 -44.823 -14.1551 -46.2544 108.63 -31.0017 106.77 -55.9555 -251.316 PRESSAVG: 2938000 -36.1371 -22.0222 -3.30848 -22.0222 -18.7952 -25.3877 -3.30849 -25.3876 29.9036 GPRESSAVG: 2938000 -35.0427 -23.4363 -3.69156 -23.0979 -18.4271 -24.3783 -2.31903 -27.045 29.033 TIMING: 2938000 CPU: 8526.42, 0.00288485/step Wall: 8526.42, 0.00288485/step, 1.65238 hours remaining, 207.253906 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: 2938000 779.4693 2081.4827 1953.6826 102.5780 -206456.6254 17756.4509 0.0000 0.0000 34309.6832 -149473.2787 299.6350 -183782.9618 -149373.5507 298.7967 -138.7821 -108.0683 558340.2559 -8.3429 -8.1456 PRESSURE: 2938200 214.396 27.8522 9.56834 27.8517 198.625 22.638 9.56735 22.6374 70.1242 GPRESSURE: 2938200 249.93 -35.9329 29.0514 22.3883 207.413 103.261 -40.6953 -79.8014 122.218 PRESSAVG: 2938200 42.5591 12.1053 58.7266 12.1054 -33.0189 -9.17782 58.7267 -9.17779 -11.8158 GPRESSAVG: 2938200 43.1857 12.8599 59.3817 12.1444 -32.709 -9.19394 56.8718 -8.74298 -12.2767 TIMING: 2938200 CPU: 8526.99, 0.00288142/step Wall: 8526.99, 0.00288141/step, 1.65025 hours remaining, 207.253906 MB of memory in use. ENERGY: 2938200 726.9928 2108.7001 1955.5185 124.6932 -206727.3378 17984.2606 0.0000 0.0000 34284.4992 -149542.6734 299.4151 -183827.1726 -149442.8191 298.5578 161.0486 193.1872 555934.3991 -0.7585 -0.6000 PRESSURE: 2938400 -10.1285 145.747 48.6029 145.747 -106.289 -87.7157 48.6023 -87.7155 38.2332 GPRESSURE: 2938400 -2.36956 181.249 20.8756 153.628 -52.4831 -75.5746 2.24136 -88.6256 84.1903 PRESSAVG: 2938400 -12.2881 45.1318 22.7561 45.1317 -0.380564 -0.465291 22.756 -0.46524 -1.21532 GPRESSAVG: 2938400 -13.0452 45.9367 24.7089 45.7864 0.0765562 1.47224 22.9902 -1.26588 -0.636754 TIMING: 2938400 CPU: 8527.57, 0.00287609/step Wall: 8527.57, 0.00287609/step, 1.64704 hours remaining, 207.253906 MB of memory in use. ENERGY: 2938400 778.9755 2077.6461 1987.0850 103.9255 -206712.1194 17941.2200 0.0000 0.0000 34054.1148 -149769.1525 297.4031 -183823.2673 -149665.7441 298.3957 -26.0615 9.7792 556396.9546 -4.6280 -4.5351 PRESSURE: 2938600 -165.661 40.7039 -53.5779 40.704 -194.512 47.3131 -53.5786 47.3137 -181.611 GPRESSURE: 2938600 -144.223 60.6663 5.79588 -44.1879 -179.627 -7.84784 -150.792 54.2289 -131.677 PRESSAVG: 2938600 3.7159 12.6282 -33.891 12.6282 -68.298 39.2044 -33.891 39.2044 62.7558 GPRESSAVG: 2938600 2.93335 13.0423 -35.2631 11.4697 -68.0062 35.4531 -34.1294 41.8882 63.039 TIMING: 2938600 CPU: 8528.15, 0.00289158/step Wall: 8528.15, 0.00289158/step, 1.65575 hours remaining, 207.253906 MB of memory in use. ENERGY: 2938600 739.6057 2052.1295 1989.7665 109.4604 -206397.8049 17740.3125 0.0000 0.0000 34173.5642 -149592.9662 298.4462 -183766.5304 -149500.6417 297.8748 -180.5945 -151.8424 558777.8260 -0.6087 -0.6779 PRESSURE: 2938800 198.975 118.422 50.3632 118.421 84.3271 69.7861 50.3634 69.7852 -160.588 GPRESSURE: 2938800 176.845 162.358 67.4209 77.8729 174.141 64.1906 77.8053 73.131 -133.716 PRESSAVG: 2938800 40.8416 15.8679 14.7049 15.8678 17.5174 11.7781 14.7049 11.778 -39.8775 GPRESSAVG: 2938800 41.0576 16.2061 13.97 15.8428 17.4205 15.7303 15.5257 8.61327 -40.5089 TIMING: 2938800 CPU: 8528.73, 0.00289863/step Wall: 8528.73, 0.00289863/step, 1.65963 hours remaining, 207.253906 MB of memory in use. ENERGY: 2938800 729.4643 2092.3214 1979.9592 119.9256 -206337.4786 17854.2375 0.0000 0.0000 34273.8414 -149287.7292 299.3220 -183561.5706 -149187.1096 298.6071 40.9048 72.4233 558669.2469 6.1605 5.9898 PRESSURE: 2939000 -256.701 -65.2986 136.761 -65.2986 -222.192 -96.2608 136.762 -96.2609 -65.9661 GPRESSURE: 2939000 -231.444 10.0929 128.703 -170.816 -177.808 -128.058 136.314 -87.4432 -48.8906 PRESSAVG: 2939000 75.734 13.4652 32.2192 13.4652 -30.6947 20.2334 32.2193 20.2333 -51.2275 GPRESSAVG: 2939000 77.0912 12.4729 32.7047 13.468 -31.545 18.1228 33.9997 22.8496 -51.7501 TIMING: 2939000 CPU: 8529.31, 0.00288867/step Wall: 8529.31, 0.00288867/step, 1.65376 hours remaining, 207.253906 MB of memory in use. ENERGY: 2939000 778.1892 2161.1765 1948.8466 113.0181 -206252.9656 17773.5138 0.0000 0.0000 34210.1142 -149268.1071 298.7654 -183478.2214 -149175.7401 298.8479 -181.6196 -152.7141 559745.3760 -2.0627 -2.0679 PRESSURE: 2939200 -91.2624 3.50162 122.355 3.50337 -84.7418 -82.1348 122.356 -82.1346 -149.301 GPRESSURE: 2939200 -15.6193 27.2399 52.172 -2.58343 -85.7641 -69.0809 142.037 -11.1098 -116.244 PRESSAVG: 2939200 28.75 -18.5914 -21.9183 -18.5914 21.761 -36.5731 -21.9184 -36.5732 -51.6391 GPRESSAVG: 2939200 27.2049 -18.6649 -23.8668 -18.0705 21.9097 -35.8614 -22.6123 -37.876 -50.4812 TIMING: 2939200 CPU: 8529.89, 0.00290626/step Wall: 8529.89, 0.00290626/step, 1.66367 hours remaining, 207.253906 MB of memory in use. ENERGY: 2939200 756.5125 2167.1559 1952.5618 105.1284 -205921.7553 17628.9384 0.0000 0.0000 33867.9417 -149443.5166 295.7772 -183311.4583 -149351.3900 297.8533 -108.4351 -72.5425 558148.9533 -0.3760 -0.4555 PRESSURE: 2939400 -49.9585 -64.5359 -104.745 -64.5354 4.87939 -166.524 -104.745 -166.524 -94.1957 GPRESSURE: 2939400 -67.9297 -141.086 -30.6059 28.0241 21.6958 -140.73 -126.601 -230.774 -0.331072 PRESSAVG: 2939400 24.1801 -10.6508 16.5096 -10.6509 17.5227 36.7066 16.5096 36.7067 -21.8793 GPRESSAVG: 2939400 24.5386 -13.4807 17.3859 -10.4139 16.8951 35.4429 17.4278 37.5927 -21.5418 TIMING: 2939400 CPU: 8530.47, 0.00289605/step Wall: 8530.47, 0.00289605/step, 1.65766 hours remaining, 207.253906 MB of memory in use. ENERGY: 2939400 727.3908 2125.8162 1976.7658 110.3766 -206288.2609 17700.5236 0.0000 0.0000 34054.2697 -149593.1181 297.4044 -183647.3878 -149505.6706 297.7574 -46.4249 -15.5217 556925.5079 6.6079 6.6306 PRESSURE: 2939600 -225.733 -65.897 -225.678 -65.8963 88.0317 -81.3489 -225.679 -81.3483 183.923 GPRESSURE: 2939600 -178.904 -58.9232 -284.512 -98.1138 136.812 -47.8016 -100.519 -159.723 182.512 PRESSAVG: 2939600 -78.0622 25.7417 -9.38492 25.7418 75.4996 2.83256 -9.38492 2.83266 63.5868 GPRESSAVG: 2939600 -78.4816 28.8996 -9.13995 24.7632 76.4536 3.00318 -10.0714 1.39225 62.6841 TIMING: 2939600 CPU: 8531.05, 0.00292185/step Wall: 8531.05, 0.00292185/step, 1.67227 hours remaining, 207.253906 MB of memory in use. ENERGY: 2939600 762.0288 2108.5607 1959.3672 104.4538 -206209.0416 17887.5550 0.0000 0.0000 34104.9916 -149282.0844 297.8474 -183387.0760 -149183.2932 298.5188 15.4073 46.8066 557765.1759 20.3414 20.2187 PRESSURE: 2939800 -339.11 -50.3821 79.7802 -50.3818 12.2502 -114.828 79.7804 -114.828 -302.501 GPRESSURE: 2939800 -304.522 3.64193 78.7889 17.5237 48.1725 -67.5474 47.0817 -54.2763 -283.812 PRESSAVG: 2939800 -36.6132 -4.82369 -54.8358 -4.82367 -11.1923 -12.1819 -54.8358 -12.1819 59.6581 GPRESSAVG: 2939800 -36.7011 -6.54668 -55.8965 -2.84471 -11.394 -14.0987 -54.7525 -10.5549 58.728 TIMING: 2939800 CPU: 8531.64, 0.00293246/step Wall: 8531.64, 0.00293246/step, 1.67818 hours remaining, 207.253906 MB of memory in use. ENERGY: 2939800 727.5422 2114.9907 1965.9267 104.4475 -205981.4698 17563.1823 0.0000 0.0000 34130.6227 -149374.7577 298.0712 -183505.3804 -149271.1829 298.8394 -209.7870 -180.0537 557566.8355 3.9509 3.5443 PRESSURE: 2940000 28.2719 183.427 16.1079 183.425 -125.999 103.755 16.1072 103.753 -59.1044 GPRESSURE: 2940000 31.4508 166.117 -16.1948 189.323 -89.2645 90.2641 79.0645 37.2164 6.03743 PRESSAVG: 2940000 -15.6118 5.27679 57.1945 5.2768 9.87869 -29.7881 57.1945 -29.7881 -5.99856 GPRESSAVG: 2940000 -15.4377 5.53721 58.4885 5.31088 8.50409 -27.9169 55.9169 -32.5893 -4.95929 TIMING: 2940000 CPU: 8532.22, 0.00291772/step Wall: 8532.22, 0.00291772/step, 1.66958 hours remaining, 207.253906 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: 2940000 759.4369 2129.5890 1938.8359 100.3402 -206181.6208 17877.3515 0.0000 0.0000 34080.9444 -149295.1229 297.6374 -183376.0673 -149199.2759 298.7907 -52.2772 -17.2588 558819.9872 -3.9105 -3.9643 PRESSURE: 2940200 7.74728 -53.9898 51.6965 -53.9903 -15.2627 79.7099 51.6976 79.708 -159.37 GPRESSURE: 2940200 42.9702 -78.7262 24.033 -21.1811 59.931 -14.9135 53.466 95.1431 -168.861 PRESSAVG: 2940200 13.3942 6.01148 -20.6218 6.0115 -30.4993 13.8406 -20.6217 13.8405 43.3618 GPRESSAVG: 2940200 13.0171 5.81746 -20.9962 4.55077 -29.3026 12.8246 -18.6194 17.018 41.9091 TIMING: 2940200 CPU: 8532.8, 0.00291136/step Wall: 8532.8, 0.00291135/step, 1.66578 hours remaining, 207.253906 MB of memory in use. ENERGY: 2940200 787.5539 2152.2350 1950.2320 115.6787 -206187.5165 17930.5251 0.0000 0.0000 34167.3672 -149083.9245 298.3921 -183251.2918 -148990.9755 298.4623 -55.6286 -21.9867 558226.0010 8.7522 8.5412 LDB: ============= START OF LOAD BALANCING ============== 8536.27 LDB: ============== END OF LOAD BALANCING =============== 8536.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8536.27 LDB: ============= START OF LOAD BALANCING ============== 8536.56 LDB: Largest compute 4821 load 0.027686 is 23.5% of average load 0.117819 LDB: Average compute 0.001721 is 1.5% of average load 0.117819 LDB: TIME 8536.56 LOAD: AVG 0.117819 MAX 0.178887 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.289 MB LDB: TIME 8536.57 LOAD: AVG 0.117819 MAX 0.178887 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.289 MB LDB: TIME 8536.57 LOAD: AVG 0.117819 MAX 0.178887 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.289 MB LDB: ============== END OF LOAD BALANCING =============== 8536.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8536.57 PRESSURE: 2940400 178.093 90.0892 110.712 90.0901 -262.02 20.1536 110.711 20.1521 20.1 GPRESSURE: 2940400 179.797 156.459 225.785 112.203 -227.852 10.2891 96.4267 98.6227 84.0921 PRESSAVG: 2940400 72.0174 15.2938 6.24332 15.2937 51.043 -14.3817 6.2433 -14.3817 -105.613 GPRESSAVG: 2940400 71.3935 16.345 6.07435 16.1103 51.3854 -13.9478 4.91419 -15.2756 -104.642 TIMING: 2940400 CPU: 8533.4, 0.00296744/step Wall: 8533.4, 0.00296744/step, 1.6977 hours remaining, 205.953125 MB of memory in use. ENERGY: 2940400 736.0217 2077.6533 1949.6322 117.6549 -206149.2574 17980.3617 0.0000 0.0000 34280.0094 -149007.9242 299.3758 -183287.9335 -148912.4980 299.6179 -21.2756 12.0124 558552.4672 5.8158 6.0456 PRESSURE: 2940600 -119.663 -37.2813 -23.7154 -37.2824 161.816 195.711 -23.7159 195.713 -194.326 GPRESSURE: 2940600 -71.6651 -60.5822 13.1064 -35.4523 200.038 247.414 -50.1532 205.23 -176.515 PRESSAVG: 2940600 -31.7331 68.1404 31.2344 68.1403 11.0667 12.155 31.2344 12.1551 -1.06959 GPRESSAVG: 2940600 -31.8806 67.5057 32.4374 69.2959 10.3009 13.0959 29.4672 9.89326 -1.23781 TIMING: 2940600 CPU: 8533.98, 0.0029276/step Wall: 8533.98, 0.0029276/step, 1.67475 hours remaining, 205.953125 MB of memory in use. ENERGY: 2940600 705.0070 2137.7592 1936.6078 113.5905 -206266.1623 17908.6805 0.0000 0.0000 34299.9692 -149164.5481 299.5502 -183464.5172 -149065.1938 299.2193 -50.7244 -16.0473 558653.2301 -7.2453 -7.6058 PRESSURE: 2940800 -168.88 -20.923 13.3515 -20.9228 147.114 0.232207 13.351 0.231674 -85.9763 GPRESSURE: 2940800 -128.723 -16.2933 28.8107 57.354 142.949 33.0651 16.6043 125.73 -30.9609 PRESSAVG: 2940800 27.6978 13.2492 -4.96383 13.2491 3.39407 30.382 -4.96385 30.3821 -49.5922 GPRESSAVG: 2940800 27.7828 15.5194 -5.13819 12.0528 2.94085 27.8632 -1.27262 33.9641 -49.2313 TIMING: 2940800 CPU: 8534.57, 0.00292459/step Wall: 8534.57, 0.00292459/step, 1.67287 hours remaining, 205.953125 MB of memory in use. ENERGY: 2940800 782.9821 2085.5897 1929.1121 117.7679 -206409.2158 17965.4769 0.0000 0.0000 34337.9531 -149190.3341 299.8819 -183528.2871 -149094.8415 298.5922 -35.9141 -5.5784 559366.2916 -6.1668 -6.1692 PRESSURE: 2941000 -137.714 175.123 -112.337 175.123 1.83372 124.939 -112.337 124.938 -13.5664 GPRESSURE: 2941000 -103.736 202.841 -73.8777 97.2288 33.3567 120.55 -59.0357 102.583 17.1365 PRESSAVG: 2941000 43.4351 10.1207 41.271 10.1207 0.151286 11.3677 41.2711 11.3678 -13.5318 GPRESSAVG: 2941000 42.7399 8.09962 42.634 10.5965 0.84772 11.5634 40.1967 10.4318 -13.8607 TIMING: 2941000 CPU: 8535.15, 0.00290858/step Wall: 8535.15, 0.00290858/step, 1.66355 hours remaining, 205.953125 MB of memory in use. ENERGY: 2941000 735.3633 2188.9625 1976.1526 120.7492 -206131.6105 17785.5749 0.0000 0.0000 34260.3281 -149064.4798 299.2040 -183324.8079 -148975.5585 299.3405 -49.8156 -17.7478 560416.6891 10.0182 9.9090 PRESSURE: 2941200 -230.519 7.71819 62.0318 7.71784 75.3525 -56.5688 62.0319 -56.5687 -195.366 GPRESSURE: 2941200 -157.607 -10.5961 76.4249 13.85 40.9071 -66.8572 -0.752783 -63.7644 -148.781 PRESSAVG: 2941200 -51.7846 22.5753 -7.70277 22.5754 49.5779 -25.4133 -7.70287 -25.4134 -17.5747 GPRESSAVG: 2941200 -51.1499 22.894 -8.36149 23.8009 49.3827 -22.8914 -8.16815 -27.5993 -17.5953 TIMING: 2941200 CPU: 8535.73, 0.00290966/step Wall: 8535.73, 0.00290966/step, 1.664 hours remaining, 205.953125 MB of memory in use. ENERGY: 2941200 797.2822 2088.5956 1980.3227 123.9854 -205959.3300 17777.7504 0.0000 0.0000 34177.4361 -149013.9576 298.4800 -183191.3937 -148915.1350 299.0743 -116.8440 -88.4936 559046.2883 -6.5938 -6.4542 PRESSURE: 2941400 -104.687 113.835 -38.4062 113.836 -154.152 5.59594 -38.4058 5.59572 -147.775 GPRESSURE: 2941400 -107.609 29.6578 -32.3247 45.532 -130.416 -21.1081 -37.7094 20.9898 -73.4996 PRESSAVG: 2941400 2.33062 -14.8732 42.3239 -14.8732 8.93782 -31.1676 42.3239 -31.1675 -46.9001 GPRESSAVG: 2941400 2.50685 -14.3737 40.4297 -17.0096 8.16074 -31.2958 44.0684 -29.8137 -46.3952 TIMING: 2941400 CPU: 8536.31, 0.00290865/step Wall: 8536.31, 0.00290865/step, 1.66326 hours remaining, 206.093750 MB of memory in use. ENERGY: 2941400 798.4648 2085.4226 1971.2039 111.0377 -206066.6002 17824.2819 0.0000 0.0000 34391.5113 -148884.6781 300.3496 -183276.1893 -148793.2215 299.4655 -135.5379 -103.8415 559640.2897 -11.8772 -11.9092 PRESSURE: 2941600 55.3872 -100.857 27.6407 -100.857 -89.2617 79.8403 27.641 79.8412 192.212 GPRESSURE: 2941600 135.854 -100.502 76.022 -134.207 -23.6673 66.393 0.556245 78.9733 142.625 PRESSAVG: 2941600 -31.8404 8.86274 38.5405 8.86277 46.4489 -66.519 38.5405 -66.519 -19.9129 GPRESSAVG: 2941600 -31.7574 5.99003 40.9413 11.9318 46.2256 -68.8475 35.8803 -65.6004 -20.0899 TIMING: 2941600 CPU: 8536.9, 0.00292098/step Wall: 8536.9, 0.00292098/step, 1.67015 hours remaining, 206.093750 MB of memory in use. ENERGY: 2941600 732.1259 2088.5616 1971.2484 126.3891 -205849.7043 17737.6851 0.0000 0.0000 34209.2064 -148984.4878 298.7575 -183193.6942 -148885.6533 299.7374 52.7793 84.9373 557794.5354 -1.7681 -1.8739 PRESSURE: 2941800 102.348 56.9981 -23.72 56.9971 37.8642 -331.253 -23.7204 -331.256 218.385 GPRESSURE: 2941800 206.08 49.567 42.8394 104.355 33.9051 -375.487 -68.6033 -353.47 219.03 PRESSAVG: 2941800 -79.4183 -17.4518 -8.17486 -17.4517 15.0618 -53.7525 -8.17484 -53.7524 42.801 GPRESSAVG: 2941800 -79.2862 -15.1458 -7.81909 -19.6141 15.0839 -53.2598 -8.53428 -55.6215 42.9889 TIMING: 2941800 CPU: 8537.48, 0.00290557/step Wall: 8537.48, 0.00290557/step, 1.66118 hours remaining, 206.093750 MB of memory in use. ENERGY: 2941800 744.6960 2097.3008 1964.5293 109.5404 -206263.6687 17898.6281 0.0000 0.0000 34314.8589 -149134.1151 299.6802 -183448.9740 -149032.8499 299.1242 119.5327 153.0049 557720.5259 -7.1852 -7.0711 PRESSURE: 2942000 202.892 42.4435 -45.6 42.4438 67.6546 -21.4356 -45.5989 -21.4359 108.049 GPRESSURE: 2942000 238.327 78.4884 7.92828 114.07 111.718 -66.8602 -45.4054 52.1183 128.387 PRESSAVG: 2942000 32.4428 -19.5419 45.6173 -19.5418 -71.059 -17.4533 45.6173 -17.4532 68.2516 GPRESSAVG: 2942000 32.423 -19.6012 43.1636 -20.223 -71.2671 -17.0653 48.415 -16.8954 68.3699 TIMING: 2942000 CPU: 8538.06, 0.00292593/step Wall: 8538.06, 0.00292593/step, 1.67265 hours remaining, 206.093750 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: 2942000 735.1922 2135.8294 1959.7912 109.2376 -206295.8776 17984.2451 0.0000 0.0000 34312.7549 -149058.8273 299.6618 -183371.5822 -148956.0481 299.4651 126.1984 159.4772 557563.6968 9.8784 9.8420 PRESSURE: 2942200 -52.4483 -34.8271 80.7741 -34.829 -55.294 -35.4233 80.7725 -35.4234 -96.4494 GPRESSURE: 2942200 9.75345 -35.8383 100.201 -2.80336 -60.9788 16.8034 -0.829526 -57.0867 -44.2212 PRESSAVG: 2942200 25.614 46.7205 -16.5691 46.7205 -64.0564 6.16033 -16.569 6.1604 9.22342 GPRESSAVG: 2942200 26.8024 47.1753 -14.0746 47.938 -63.1094 4.81297 -16.9328 7.66649 7.32303 TIMING: 2942200 CPU: 8538.65, 0.00292851/step Wall: 8538.65, 0.00292851/step, 1.67397 hours remaining, 206.093750 MB of memory in use. ENERGY: 2942200 705.1188 2120.0602 1975.4062 113.2108 -205971.0379 17814.7072 0.0000 0.0000 34132.8619 -149109.6728 298.0908 -183242.5347 -149011.2190 299.5676 -68.0639 -31.8155 559253.3687 -9.7396 -9.6613 PRESSURE: 2942400 -228.026 -139.559 -150.542 -139.558 13.6355 -72.6159 -150.542 -72.6165 -34.393 GPRESSURE: 2942400 -234.257 -98.0643 -79.6824 -115.009 31.6108 -111.967 -150.66 -105.795 46.6929 PRESSAVG: 2942400 18.9531 23.0802 -6.04708 23.0802 -38.2041 4.50009 -6.04711 4.50003 10.8993 GPRESSAVG: 2942400 17.8331 24.0918 -7.3552 22.1771 -38.6801 5.09941 -7.18532 2.64081 12.4737 TIMING: 2942400 CPU: 8539.23, 0.00292511/step Wall: 8539.23, 0.00292511/step, 1.67186 hours remaining, 206.093750 MB of memory in use. ENERGY: 2942400 762.9322 2089.0797 1957.0003 118.1008 -206260.2988 17880.9329 0.0000 0.0000 34222.3009 -149229.9520 298.8719 -183452.2530 -149142.2357 299.2254 -82.9280 -51.9844 557800.5954 -2.7839 -2.7911 PRESSURE: 2942600 99.7258 11.41 50.7781 11.4099 -53.7363 -52.6006 50.7786 -52.6021 -178.462 GPRESSURE: 2942600 105.643 44.0489 51.4725 9.59213 12.278 -11.0239 73.7041 -12.3509 -151.074 PRESSAVG: 2942600 20.3958 44.5193 -32.5986 44.5193 -44.5882 -39.7121 -32.5986 -39.7123 23.8924 GPRESSAVG: 2942600 21.9964 41.7134 -33.8255 45.3247 -44.8907 -37.1551 -31.2953 -39.1326 23.1706 TIMING: 2942600 CPU: 8539.82, 0.00293342/step Wall: 8539.82, 0.00293342/step, 1.67645 hours remaining, 206.093750 MB of memory in use. ENERGY: 2942600 731.2303 2105.1057 1938.7363 117.0563 -206394.4337 17913.2677 0.0000 0.0000 34193.3567 -149395.6807 298.6191 -183589.0374 -149307.0629 298.4214 -44.1575 -11.0512 557137.4559 -0.1000 0.0921 PRESSURE: 2942800 -32.8706 63.4645 -78.5455 63.4632 -274.134 -157.54 -78.5446 -157.541 117.825 GPRESSURE: 2942800 2.69193 95.9488 -22.2907 49.8263 -200.083 -180.208 -193.472 -122.893 100.748 PRESSAVG: 2942800 -13.7411 -34.3602 20.9619 -34.3603 -3.69784 14.0365 20.962 14.0364 57.6531 GPRESSAVG: 2942800 -14.5034 -32.4603 23.4389 -37.0902 -3.29419 12.8792 17.8515 15.0863 57.8996 TIMING: 2942800 CPU: 8540.41, 0.00292483/step Wall: 8540.41, 0.00292483/step, 1.67138 hours remaining, 206.093750 MB of memory in use. ENERGY: 2942800 732.3772 2061.6739 1958.6956 109.6014 -205914.9940 17598.9800 0.0000 0.0000 34241.2760 -149212.3900 299.0376 -183453.6660 -149116.3525 298.1551 -63.0599 -32.2146 557141.6309 13.4047 13.3673 PRESSURE: 2943000 -93.2999 44.9777 -95.9472 44.9786 -38.9095 -134.598 -95.9471 -134.598 -75.9203 GPRESSURE: 2943000 -94.2747 101.247 -117.521 -11.822 -1.95468 -157.57 -108.55 -114.602 -25.75 PRESSAVG: 2943000 -24.0721 15.7265 18.2881 15.7264 -16.071 -58.7699 18.2881 -58.7699 29.385 GPRESSAVG: 2943000 -24.2302 14.9581 16.3857 18.0938 -16.2551 -59.8429 22.3363 -59.5816 29.8809 TIMING: 2943000 CPU: 8540.99, 0.0029238/step Wall: 8540.99, 0.0029238/step, 1.67063 hours remaining, 206.093750 MB of memory in use. ENERGY: 2943000 787.1637 2100.2825 1960.6814 99.0212 -206436.3596 17850.0144 0.0000 0.0000 34314.5086 -149324.6877 299.6771 -183639.1963 -149222.7255 299.1082 -69.3766 -40.6598 557873.8569 -3.5860 -3.5348 PRESSURE: 2943200 45.9368 41.8317 -68.7323 41.8324 20.5664 111.192 -68.7319 111.192 -128.619 GPRESSURE: 2943200 88.3973 46.6945 -58.7933 24.2913 64.0423 113.826 -38.951 94.8733 -114.458 PRESSAVG: 2943200 17.3502 -5.75318 15.0442 -5.7531 -38.3709 -3.13022 15.0442 -3.13014 20.8695 GPRESSAVG: 2943200 17.0482 -7.17461 14.8694 -4.23486 -38.2328 -1.62109 14.8085 -1.74458 21.3002 TIMING: 2943200 CPU: 8541.57, 0.00291263/step Wall: 8541.57, 0.00291264/step, 1.66409 hours remaining, 206.093750 MB of memory in use. ENERGY: 2943200 740.5915 2130.2023 1953.0134 122.0929 -206394.8036 17932.1422 0.0000 0.0000 34195.2128 -149321.5485 298.6353 -183516.7613 -149223.7619 298.9671 -20.7054 12.6607 557085.6702 -0.0504 0.0385 PRESSURE: 2943400 390.579 -21.8085 170.803 -21.809 269.396 46.0167 170.802 46.0164 50.6275 GPRESSURE: 2943400 416.761 -82.4934 143.967 0.401747 316.489 21.2039 175.405 -2.77012 74.0696 PRESSAVG: 2943400 25.0181 -2.94503 31.1063 -2.94495 -17.9793 -9.84692 31.1062 -9.84687 -0.492875 GPRESSAVG: 2943400 24.2557 -1.71018 33.7275 -4.81223 -16.8652 -9.82283 28.7649 -11.0044 -1.14397 TIMING: 2943400 CPU: 8542.16, 0.00293698/step Wall: 8542.16, 0.00293698/step, 1.67783 hours remaining, 206.093750 MB of memory in use. ENERGY: 2943400 704.4898 2106.9827 1979.4239 114.3316 -206886.5901 18254.2863 0.0000 0.0000 34309.2626 -149417.8132 299.6313 -183727.0758 -149320.2767 299.0471 236.8675 269.1066 556628.6617 2.1820 2.0822 PRESSURE: 2943600 237.498 -78.6206 161.626 -78.6203 15.3767 -114.07 161.626 -114.071 206.314 GPRESSURE: 2943600 242.154 -118.188 85.407 -134.653 80.5747 -75.7998 161.635 -132.974 231.996 PRESSAVG: 2943600 -3.94311 -6.50788 35.1243 -6.50785 -19.351 -30.7799 35.1244 -30.78 21.6468 GPRESSAVG: 2943600 -3.79759 -7.99229 32.7877 -5.45543 -19.1142 -30.935 35.2009 -31.1617 21.2697 TIMING: 2943600 CPU: 8542.75, 0.00292793/step Wall: 8542.75, 0.00292793/step, 1.6725 hours remaining, 206.093750 MB of memory in use. ENERGY: 2943600 713.5061 2080.7124 1974.4285 113.6331 -206767.6867 17987.9184 0.0000 0.0000 34491.8585 -149405.6297 301.2260 -183897.4881 -149304.4803 299.0298 153.0630 184.9079 556759.1307 -0.5491 -0.5473 PRESSURE: 2943800 153.431 -49.2855 43.8746 -49.2845 55.4292 -141.803 43.8748 -141.802 279.784 GPRESSURE: 2943800 136.571 -25.1402 127.279 -131.741 159.722 -176.496 48.2012 -122.472 284.778 PRESSAVG: 2943800 -20.5799 -18.9578 57.3101 -18.9578 -43.26 -1.76749 57.3101 -1.76735 44.5677 GPRESSAVG: 2943800 -20.0747 -18.0184 58.7663 -20.0646 -44.7121 -4.65435 59.3785 -0.466998 45.6836 TIMING: 2943800 CPU: 8543.33, 0.00292203/step Wall: 8543.33, 0.00292203/step, 1.66897 hours remaining, 206.093750 MB of memory in use. ENERGY: 2943800 747.8862 2128.5908 2002.5230 108.3936 -206645.1043 18055.0024 0.0000 0.0000 34474.6511 -149128.0573 301.0757 -183602.7084 -149023.5678 299.4690 162.8815 193.6905 557300.6651 -6.4241 -6.3677 PRESSURE: 2944000 132.253 112.335 -120.031 112.334 326.779 -88.8133 -120.031 -88.8123 122.058 GPRESSURE: 2944000 138.577 217.629 -223.82 60.3078 317.577 -126.18 -48.5918 -56.9148 214.967 PRESSAVG: 2944000 -23.6142 13.3504 -3.59775 13.3503 -34.0122 -11.8218 -3.59766 -11.8217 27.0035 GPRESSAVG: 2944000 -23.1384 12.5621 -3.34135 13.6636 -34.4311 -11.0108 -6.02693 -11.6625 26.6239 TIMING: 2944000 CPU: 8543.91, 0.00291505/step Wall: 8543.91, 0.00291505/step, 1.66482 hours remaining, 206.093750 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: 2944000 736.7688 2056.9563 1986.4555 115.3019 -206828.8351 18304.2012 0.0000 0.0000 34333.7858 -149295.3656 299.8455 -183629.1514 -149194.7034 298.9319 193.6966 223.7067 557564.7383 -10.2077 -10.3152 PRESSURE: 2944200 -40.2786 67.4582 62.7655 67.4576 -289.677 12.0748 62.7664 12.0763 -246.917 GPRESSURE: 2944200 32.7712 25.4705 68.7211 67.3185 -313.268 5.78231 86.9575 -39.6748 -196.491 PRESSAVG: 2944200 13.6086 13.1468 13.3075 13.1468 -64.286 -49.2148 13.3075 -49.2148 74.5694 GPRESSAVG: 2944200 12.284 13.656 12.3484 13.6582 -63.5986 -47.429 14.5806 -49.9368 75.1117 TIMING: 2944200 CPU: 8544.5, 0.00292404/step Wall: 8544.5, 0.00292404/step, 1.66979 hours remaining, 206.093750 MB of memory in use. ENERGY: 2944200 746.1109 2092.3915 1952.4798 109.6808 -206107.6091 17601.1132 0.0000 0.0000 34199.3293 -149406.5037 298.6712 -183605.8330 -149313.6485 298.2243 -192.2909 -158.9959 557698.4951 7.9640 7.9324 LDB: ============= START OF LOAD BALANCING ============== 8547.97 LDB: ============== END OF LOAD BALANCING =============== 8547.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.97 LDB: ============= START OF LOAD BALANCING ============== 8548.26 LDB: Largest compute 4820 load 0.027077 is 23.0% of average load 0.117868 LDB: Average compute 0.001711 is 1.5% of average load 0.117868 LDB: TIME 8548.26 LOAD: AVG 0.117868 MAX 0.180058 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 8548.26 LOAD: AVG 0.117868 MAX 0.180058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: TIME 8548.26 LOAD: AVG 0.117868 MAX 0.180058 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.602 MB LDB: ============== END OF LOAD BALANCING =============== 8548.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8548.27 PRESSURE: 2944400 -277.196 -65.668 -22.1817 -65.6684 -319.8 76.8648 -22.1809 76.8648 -281.809 GPRESSURE: 2944400 -307.362 -131.805 -84.409 -9.03594 -220.827 58.0695 9.94625 84.8825 -267.815 PRESSAVG: 2944400 29.0611 15.1298 -63.5407 15.1297 30.7685 -32.6483 -63.5407 -32.6483 -67.0735 GPRESSAVG: 2944400 30.1282 14.9298 -63.4777 15.5188 31.048 -33.2712 -63.7986 -34.9099 -68.6058 TIMING: 2944400 CPU: 8545.1, 0.00299003/step Wall: 8545.1, 0.00299003/step, 1.70731 hours remaining, 205.917969 MB of memory in use. ENERGY: 2944400 736.8572 2124.5911 1973.9614 107.7387 -206024.4660 17347.8755 0.0000 0.0000 34347.1355 -149386.3068 299.9621 -183733.4422 -149282.0903 298.7766 -292.9349 -265.3350 558211.3607 -2.4146 -2.4765 PRESSURE: 2944600 32.114 -172.006 17.3988 -172.006 100.251 -5.37534 17.3985 -5.37652 -109.963 GPRESSURE: 2944600 90.8958 -108.918 36.9775 -188.252 102.865 -45.5665 -88.5769 -18.1779 -82.5804 PRESSAVG: 2944600 30.5385 -9.65817 -49.2123 -9.65812 27.4546 -13.1923 -49.2123 -13.1923 -85.6431 GPRESSAVG: 2944600 30.8028 -7.92495 -47.7079 -11.533 26.8405 -11.6206 -49.1371 -11.8929 -85.2174 TIMING: 2944600 CPU: 8545.68, 0.00291069/step Wall: 8545.68, 0.00291069/step, 1.66184 hours remaining, 205.917969 MB of memory in use. ENERGY: 2944600 742.3459 2105.6798 1946.5638 111.0506 -206508.8743 17891.3838 0.0000 0.0000 34422.8309 -149289.0195 300.6231 -183711.8505 -149186.7889 299.5376 7.4674 37.0601 556701.5988 -9.2167 -9.1914 PRESSURE: 2944800 78.7691 55.4807 -34.6244 55.4799 -220.281 20.8301 -34.6237 20.831 -156.746 GPRESSURE: 2944800 135.988 22.3533 -11.8389 32.2729 -235.281 57.251 -96.0935 48.5982 -111.196 PRESSAVG: 2944800 26.154 1.29902 -16.7635 1.29894 49.175 16.1991 -16.7636 16.199 -80.0273 GPRESSAVG: 2944800 23.9467 0.343441 -18.1895 1.51427 49.514 15.1047 -17.1312 17.2831 -77.8351 TIMING: 2944800 CPU: 8546.26, 0.00291482/step Wall: 8546.26, 0.00291482/step, 1.66404 hours remaining, 206.042969 MB of memory in use. ENERGY: 2944800 726.2802 2104.6997 1964.9727 112.2085 -206290.9536 17795.5054 0.0000 0.0000 34175.6657 -149411.6214 298.4646 -183587.2871 -149320.0206 299.5636 -99.4191 -70.1630 558868.3294 -1.5661 -1.4582 PRESSURE: 2945000 -104.356 125.711 -24.5188 125.711 -368.186 -63.1824 -24.5171 -63.182 -165.954 GPRESSURE: 2945000 -74.5052 116.08 -93.8647 128.426 -344.14 20.1409 23.313 -101.268 -127.403 PRESSAVG: 2945000 -22.6985 7.96936 -4.02711 7.96933 77.2199 -67.2198 -4.02705 -67.2198 -42.3404 GPRESSAVG: 2945000 -21.3621 7.59765 -4.66228 7.40866 78.5959 -67.0398 -1.28732 -68.1695 -45.2161 TIMING: 2945000 CPU: 8546.85, 0.00293536/step Wall: 8546.85, 0.00293536/step, 1.6756 hours remaining, 206.042969 MB of memory in use. ENERGY: 2945000 709.3139 2010.2117 1976.3835 117.2668 -206166.5085 17466.8745 0.0000 0.0000 34309.8398 -149576.6184 299.6364 -183886.4582 -149482.2218 299.0652 -212.8320 -182.0161 557527.3686 4.0603 4.0059 PRESSURE: 2945200 -216.347 98.1274 32.647 98.127 -33.1566 -42.0125 32.6461 -42.0119 -96.3403 GPRESSURE: 2945200 -111.703 105.346 119.847 72.9673 -60.1241 46.9621 56.9457 -122.723 -76.3383 PRESSAVG: 2945200 -16.0564 25.8083 -20.9536 25.8082 3.60903 -26.0308 -20.9536 -26.0308 7.67767 GPRESSAVG: 2945200 -14.778 24.351 -21.5284 26.9002 2.44246 -27.261 -23.0662 -26.2191 7.48888 TIMING: 2945200 CPU: 8547.43, 0.00293349/step Wall: 8547.43, 0.00293349/step, 1.67437 hours remaining, 206.042969 MB of memory in use. ENERGY: 2945200 715.8741 2137.3136 1951.8751 114.5123 -206288.2073 17592.8397 0.0000 0.0000 34244.5360 -149531.2565 299.0661 -183775.7926 -149429.1790 298.6075 -115.2813 -82.7218 556867.9058 -1.5899 -1.6156 PRESSURE: 2945400 -29.5231 59.5582 93.4626 59.558 165.48 27.9205 93.4628 27.9217 -106.986 GPRESSURE: 2945400 -1.08907 32.1082 17.9297 4.98536 156.843 -29.8161 136.826 108.336 -30.3704 PRESSAVG: 2945400 38.9409 -0.67882 19.9228 -0.678829 31.8533 29.9583 19.9229 29.9585 -52.5502 GPRESSAVG: 2945400 37.1959 1.75371 21.4507 -2.96653 32.2782 31.2927 21.6234 30.7775 -50.9124 TIMING: 2945400 CPU: 8548.02, 0.00292822/step Wall: 8548.02, 0.00292822/step, 1.6712 hours remaining, 206.042969 MB of memory in use. ENERGY: 2945400 756.8000 2053.2495 1956.1546 103.9734 -206342.6628 17857.6858 0.0000 0.0000 33981.9019 -149632.8976 296.7724 -183614.7995 -149544.6434 298.1934 9.6572 41.7947 556694.9569 6.0813 6.1872 PRESSURE: 2945600 -142.233 -86.0375 22.533 -86.0379 161.841 -73.4339 22.5324 -73.4346 -21.5467 GPRESSURE: 2945600 -80.1883 -61.8909 -25.7772 -103.519 144.364 -108.896 70.976 -35.4151 35.5825 PRESSAVG: 2945600 -6.83775 4.30482 28.9045 4.30479 47.0076 9.18966 28.9046 9.18961 -18.7586 GPRESSAVG: 2945600 -5.67506 3.17029 30.3715 5.21937 46.261 8.6719 27.0844 9.36657 -18.911 TIMING: 2945600 CPU: 8548.6, 0.00290201/step Wall: 8548.6, 0.00290201/step, 1.65608 hours remaining, 206.042969 MB of memory in use. ENERGY: 2945600 796.3799 2095.9626 1948.3852 99.8669 -206289.3779 17805.2117 0.0000 0.0000 34132.6440 -149410.9276 298.0889 -183543.5716 -149326.6870 298.0371 -0.6463 33.2527 555119.9306 7.1371 7.2250 PRESSURE: 2945800 -9.8205 118.084 -9.16907 118.084 9.6114 67.1067 -9.16837 67.1082 108.835 GPRESSURE: 2945800 61.1083 109.678 -52.0832 111.523 0.588049 -3.72307 -9.90046 70.557 135.27 PRESSAVG: 2945800 -27.859 0.853439 -11.6723 0.853472 45.6174 -28.5744 -11.6724 -28.5743 -18.1561 GPRESSAVG: 2945800 -28.4098 1.93295 -11.8718 0.822419 45.9097 -28.0893 -14.1726 -26.8142 -17.6769 TIMING: 2945800 CPU: 8549.18, 0.00290278/step Wall: 8549.18, 0.00290277/step, 1.65636 hours remaining, 206.042969 MB of memory in use. ENERGY: 2945800 734.1047 2080.9542 1982.5354 115.9436 -206290.9563 17913.1463 0.0000 0.0000 34047.6034 -149416.6688 297.3462 -183464.2722 -149323.6950 298.5902 36.2086 65.6553 556428.4384 -0.1326 -0.0590 PRESSURE: 2946000 -39.7252 73.6265 -67.4982 73.6263 -214.695 -71.5147 -67.4975 -71.5129 -80.9045 GPRESSURE: 2946000 2.71305 44.5746 -49.8688 72.1124 -214.199 -38.8008 -25.707 -79.8121 -42.9433 PRESSAVG: 2946000 -60.8442 47.854 -2.0291 47.8541 -29.4036 2.50555 -2.02915 2.50557 68.5951 GPRESSAVG: 2946000 -61.3321 45.1023 -3.92161 49.4374 -28.449 2.29784 1.32366 -0.446289 68.1912 TIMING: 2946000 CPU: 8549.76, 0.00291198/step Wall: 8549.76, 0.00291198/step, 1.66145 hours remaining, 206.042969 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: 2946000 745.3068 2051.8102 1943.6971 105.0697 -206433.7532 17729.4913 0.0000 0.0000 34273.5276 -149584.8505 299.3192 -183858.3781 -149491.4750 298.1159 -111.7749 -84.8098 557331.2213 -7.2176 -7.1967 PRESSURE: 2946200 92.6194 -66.0696 -54.7289 -66.0698 -28.1578 -142.05 -54.7295 -142.051 -39.4479 GPRESSURE: 2946200 85.5011 -66.4613 87.1805 15.1607 -11.2743 -115.304 -107.842 -139.625 42.64 PRESSAVG: 2946200 -88.755 17.504 -21.7594 17.504 54.566 -1.58485 -21.7594 -1.5849 28.446 GPRESSAVG: 2946200 -87.9888 19.4236 -19.7157 17.3507 54.0939 -1.83161 -23.6901 -2.43014 28.8559 TIMING: 2946200 CPU: 8550.34, 0.00290002/step Wall: 8550.34, 0.00290002/step, 1.65446 hours remaining, 206.042969 MB of memory in use. ENERGY: 2946200 747.7081 2059.0817 1978.4368 112.6901 -206557.2505 18043.8477 0.0000 0.0000 34105.6246 -149509.8616 297.8529 -183615.4862 -149410.2339 297.9544 8.3379 38.9556 556554.7158 -1.9143 -1.6797 PRESSURE: 2946400 -4.83898 -52.9741 -105.763 -52.9731 144.075 153.11 -105.765 153.111 233.193 GPRESSURE: 2946400 24.2718 -62.7191 -39.2861 -50.6752 166.755 103.957 -120.826 119.245 282.336 PRESSAVG: 2946400 -13.5595 16.8582 2.33198 16.8582 19.2383 -5.13925 2.33204 -5.13932 -6.26257 GPRESSAVG: 2946400 -13.1354 16.9649 2.05155 15.3639 20.2378 -5.4831 2.86631 -3.45461 -8.21325 TIMING: 2946400 CPU: 8550.92, 0.00289057/step Wall: 8550.92, 0.00289057/step, 1.64891 hours remaining, 206.042969 MB of memory in use. ENERGY: 2946400 733.5777 2114.0641 1988.5206 115.5158 -206651.9462 18086.0660 0.0000 0.0000 34196.1173 -149418.0847 298.6432 -183614.2019 -149320.9971 298.7238 124.1430 157.7876 556596.1849 -0.1946 -0.3703 PRESSURE: 2946600 -28.7329 125.187 -82.8536 125.187 -195.669 -58.1983 -82.8533 -58.2001 -192.168 GPRESSURE: 2946600 28.3339 84.1384 -78.7825 83.9583 -204.807 -72.659 -112.39 -86.2002 -137.337 PRESSAVG: 2946600 -27.2862 -4.95899 -28.6179 -4.95899 -34.7788 42.4812 -28.6178 42.4811 51.8826 GPRESSAVG: 2946600 -28.1209 -3.66897 -27.6574 -3.50925 -36.2095 43.5274 -27.8622 42.2503 53.897 TIMING: 2946600 CPU: 8551.5, 0.00288399/step Wall: 8551.5, 0.00288399/step, 1.64499 hours remaining, 206.042969 MB of memory in use. ENERGY: 2946600 753.9310 2138.5614 1953.4030 109.5637 -206200.4429 17711.6980 0.0000 0.0000 34157.7921 -149375.4938 298.3085 -183533.2859 -149280.5133 298.8924 -138.8566 -104.6032 558354.1919 -3.3941 -3.4778 PRESSURE: 2946800 -130.052 49.2884 99.5024 49.29 -147.084 136.71 99.5029 136.711 -101.48 GPRESSURE: 2946800 -125.878 -58.3625 128.666 -20.9713 -81.5972 64.8256 74.822 240.901 -79.3386 PRESSAVG: 2946800 14.4189 -12.2337 97.9227 -12.2337 -1.17561 30.1183 97.9226 30.1184 43.787 GPRESSAVG: 2946800 14.1086 -10.4858 96.2133 -14.8926 0.216231 29.049 96.1419 32.3026 42.6159 TIMING: 2946800 CPU: 8552.08, 0.00289988/step Wall: 8552.08, 0.00289988/step, 1.6539 hours remaining, 206.042969 MB of memory in use. ENERGY: 2946800 740.2138 2023.1409 1950.0336 107.2082 -206350.3823 17872.0603 0.0000 0.0000 34405.6327 -149252.0928 300.4729 -183657.7255 -149148.9701 298.6839 -126.2051 -95.6046 559525.8032 19.0101 18.9802 PRESSURE: 2947000 174.226 13.8776 106.981 13.8782 44.4124 19.7125 106.981 19.712 28.4494 GPRESSURE: 2947000 176.591 0.992237 93.1229 -34.6811 41.3482 -30.1713 73.5118 52.8956 127.437 PRESSAVG: 2947000 -28.7528 -34.8576 -6.05419 -34.8576 63.8516 0.526095 -6.05429 0.525988 -49.1848 GPRESSAVG: 2947000 -29.0726 -37.3204 -5.77637 -31.234 63.8668 1.9552 -4.38852 -1.88359 -47.9066 TIMING: 2947000 CPU: 8552.66, 0.00291514/step Wall: 8552.66, 0.00291514/step, 1.66244 hours remaining, 206.042969 MB of memory in use. ENERGY: 2947000 728.4798 2093.2594 1979.7583 110.7287 -206303.5302 17881.4404 0.0000 0.0000 34339.0072 -149170.8565 299.8911 -183509.8637 -149076.2912 299.0189 82.3625 115.1255 558727.3332 -4.6953 -4.3708 PRESSURE: 2947200 99.8921 -86.5559 77.226 -86.5546 379.731 -129.95 77.2251 -129.95 93.9232 GPRESSURE: 2947200 180.11 -71.4969 -20.4418 -106.783 372.46 -219.429 68.3893 -51.5158 120.033 PRESSAVG: 2947200 -17.8823 4.41517 5.39758 4.41523 62.9843 3.17302 5.39754 3.17313 -22.2957 GPRESSAVG: 2947200 -17.7995 3.11839 6.55488 3.44631 62.7967 2.19506 4.26908 1.50882 -21.9071 TIMING: 2947200 CPU: 8553.24, 0.00291649/step Wall: 8553.24, 0.00291649/step, 1.66305 hours remaining, 206.042969 MB of memory in use. ENERGY: 2947200 725.1855 2074.9320 1960.7582 115.1234 -206411.2864 18097.9416 0.0000 0.0000 34268.7001 -149168.6457 299.2771 -183437.3458 -149073.6346 299.4817 191.1822 224.2013 557628.1977 7.6021 7.6967 PRESSURE: 2947400 -228.375 -126.926 202.163 -126.925 -371.289 -27.8654 202.162 -27.8668 -130.182 GPRESSURE: 2947400 -160.753 -130.394 184.586 -137.546 -368.11 -31.2093 235.468 -75.2172 -91.1644 PRESSAVG: 2947400 22.524 -23.1943 -2.62185 -23.1943 37.5325 5.44115 -2.62184 5.4411 -42.5443 GPRESSAVG: 2947400 23.0075 -22.9303 -3.04327 -23.8947 37.7656 6.8834 0.990164 6.62574 -43.09 TIMING: 2947400 CPU: 8553.83, 0.00291786/step Wall: 8553.83, 0.00291786/step, 1.66367 hours remaining, 206.042969 MB of memory in use. ENERGY: 2947400 752.7083 2089.9283 1965.7168 112.0497 -205849.1320 17467.1127 0.0000 0.0000 34333.9291 -149127.6871 299.8467 -183461.6162 -149027.0865 299.8276 -243.2822 -206.6755 559116.0710 5.8374 5.8944 PRESSURE: 2947600 -292.287 63.161 55.6424 63.1597 -195.899 -188.352 55.6426 -188.351 -251.447 GPRESSURE: 2947600 -244.277 -73.2103 82.5568 129.462 -211.314 -89.8859 58.9992 -188.233 -182.673 PRESSAVG: 2947600 26.1713 21.5861 32.3968 21.586 -29.9526 -35.8056 32.3967 -35.8055 -29.3454 GPRESSAVG: 2947600 25.4691 22.9311 32.6653 20.717 -30.3816 -36.4796 27.2687 -34.5064 -28.553 TIMING: 2947600 CPU: 8554.41, 0.00292217/step Wall: 8554.41, 0.00292217/step, 1.66596 hours remaining, 206.277344 MB of memory in use. ENERGY: 2947600 745.2295 2016.4066 1983.0083 108.7886 -205675.0475 17392.4854 0.0000 0.0000 34269.3103 -149159.8188 299.2824 -183429.1292 -149059.8465 299.6588 -246.5443 -212.7548 559073.9137 -11.0422 -11.1552 PRESSURE: 2947800 -218.223 44.4633 -78.6041 44.4624 168.892 -60.6372 -78.6034 -60.6375 -50.2148 GPRESSURE: 2947800 -151.897 37.7149 -96.78 15.5704 171.624 -62.1983 -46.666 -195.231 -12.2735 PRESSAVG: 2947800 -19.1612 -32.5849 24.2419 -32.5849 -16.8863 2.77285 24.2419 2.77281 51.6623 GPRESSAVG: 2947800 -18.4101 -33.5812 23.9123 -31.5928 -16.4584 1.54734 27.4496 2.41677 50.3906 TIMING: 2947800 CPU: 8555, 0.00292179/step Wall: 8555, 0.00292179/step, 1.66558 hours remaining, 206.277344 MB of memory in use. ENERGY: 2947800 754.2661 2089.8762 1933.5744 109.6694 -206196.2199 17770.3341 0.0000 0.0000 34381.0891 -149157.4106 300.2586 -183538.4996 -149059.6367 299.4395 -33.1818 2.4844 557130.9283 5.2049 5.1741 PRESSURE: 2948000 -210.345 41.4061 -21.7152 41.4063 -137.361 -62.9338 -21.714 -62.9341 71.3836 GPRESSURE: 2948000 -204.153 11.2111 73.4841 57.2146 -50.0976 -0.601055 3.7005 -97.8374 66.3522 PRESSAVG: 2948000 -33.9065 42.8893 28.8999 42.8893 -15.8089 19.4261 28.8999 19.4258 -13.3302 GPRESSAVG: 2948000 -33.699 44.175 29.8173 41.9836 -14.7871 20.9174 27.9034 17.6345 -14.2236 TIMING: 2948000 CPU: 8555.58, 0.00290589/step Wall: 8555.58, 0.00290589/step, 1.65636 hours remaining, 206.277344 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: 2948000 736.0560 2055.1030 1955.9600 111.6307 -206408.8669 17906.2271 0.0000 0.0000 34330.9307 -149312.9594 299.8206 -183643.8901 -149218.3185 299.1347 -92.1075 -62.6329 558347.2256 -21.0152 -20.9032 PRESSURE: 2948200 -202.912 75.372 -162.175 75.3722 -8.27713 -119.86 -162.174 -119.86 -247.222 GPRESSURE: 2948200 -149.153 37.0364 -83.6943 67.7987 20.6544 -169.391 -188.603 -120.031 -226.303 PRESSAVG: 2948200 -58.8885 16.9355 -46.5318 16.9355 78.3268 -36.9441 -46.5318 -36.9441 -14.6406 GPRESSAVG: 2948200 -59.0051 16.9738 -48.1861 15.1632 77.5147 -36.8245 -45.2802 -37.5283 -13.343 TIMING: 2948200 CPU: 8556.16, 0.00288548/step Wall: 8556.16, 0.00288548/step, 1.64456 hours remaining, 206.277344 MB of memory in use. ENERGY: 2948200 763.0882 2078.2762 1942.2164 102.4459 -206224.4776 17697.0152 0.0000 0.0000 34108.0913 -149533.3443 297.8744 -183641.4357 -149432.5073 298.9471 -152.8036 -118.2671 556461.3351 1.5992 1.7222 LDB: ============= START OF LOAD BALANCING ============== 8559.62 LDB: ============== END OF LOAD BALANCING =============== 8559.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.62 LDB: ============= START OF LOAD BALANCING ============== 8559.91 LDB: Largest compute 4821 load 0.028712 is 24.4% of average load 0.117806 LDB: Average compute 0.001715 is 1.5% of average load 0.117806 LDB: TIME 8559.92 LOAD: AVG 0.117806 MAX 0.179232 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 8559.92 LOAD: AVG 0.117806 MAX 0.179232 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: TIME 8559.92 LOAD: AVG 0.117806 MAX 0.179232 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: ============== END OF LOAD BALANCING =============== 8559.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.92 PRESSURE: 2948400 -203.218 165.041 -165.852 165.041 -73.996 -5.85492 -165.852 -5.85684 348.393 GPRESSURE: 2948400 -168.406 90.5303 -164.396 164.742 17.6645 -2.07284 -146.691 -44.9632 309.163 PRESSAVG: 2948400 -91.0424 58.1788 -41.0642 58.1787 80.8269 99.2889 -41.0642 99.289 29.8617 GPRESSAVG: 2948400 -90.9895 59.4876 -40.1166 57.9061 81.2996 98.032 -42.3424 101.041 29.2997 TIMING: 2948400 CPU: 8556.75, 0.00296203/step Wall: 8556.75, 0.00296203/step, 1.68803 hours remaining, 206.980469 MB of memory in use. ENERGY: 2948400 699.6143 2099.3692 1942.5934 109.6080 -206349.1968 17816.6361 0.0000 0.0000 34269.1607 -149412.2150 299.2811 -183681.3757 -149319.3336 298.1375 23.7262 52.8071 556293.1899 6.5487 6.5366 PRESSURE: 2948600 -14.6163 4.44362 123.565 4.44231 -154.767 84.4778 123.566 84.476 -157.455 GPRESSURE: 2948600 -9.44773 86.5666 128.534 -105.906 -104.571 71.2932 93.3066 28.6919 -112.275 PRESSAVG: 2948600 -42.0398 24.6602 17.6386 24.6601 -19.9208 -19.1735 17.6387 -19.1735 86.6065 GPRESSAVG: 2948600 -40.6586 23.7171 17.2699 25.311 -20.729 -19.7888 17.4191 -18.8335 86.2732 TIMING: 2948600 CPU: 8557.33, 0.00289548/step Wall: 8557.33, 0.00289548/step, 1.64994 hours remaining, 206.980469 MB of memory in use. ENERGY: 2948600 713.1472 2089.8023 1968.9546 108.8625 -205928.3261 17669.0151 0.0000 0.0000 34024.1224 -149354.4220 297.1411 -183378.5444 -149257.5816 298.2434 -108.9461 -75.4313 557808.1308 8.2153 8.2952 PRESSURE: 2948800 -11.9296 -20.0981 -70.2398 -20.0989 26.3698 -53.2085 -70.2412 -53.2084 -105.757 GPRESSURE: 2948800 24.3049 2.93515 -65.1124 -20.8358 45.7808 -24.8978 -86.1746 -45.0892 -55.041 PRESSAVG: 2948800 -34.1882 -8.88343 22.7075 -8.88351 54.37 13.9543 22.7074 13.9543 -22.3257 GPRESSAVG: 2948800 -34.4648 -10.379 23.6805 -7.86487 54.2093 16.0795 23.2752 12.8193 -21.6514 TIMING: 2948800 CPU: 8557.9, 0.00288016/step Wall: 8557.9, 0.00288016/step, 1.64105 hours remaining, 206.980469 MB of memory in use. ENERGY: 2948800 731.0407 2005.6211 1942.7619 95.6679 -206180.9293 17579.1495 0.0000 0.0000 34580.4092 -149246.2790 301.9993 -183826.6882 -149147.3369 299.3221 -30.4389 5.0149 557236.4862 -0.7146 -0.6357 PRESSURE: 2949000 157.467 -18.2287 -26.2215 -18.2296 -287.505 -68.0274 -26.2227 -68.0284 -15.6149 GPRESSURE: 2949000 250.753 -106.917 -57.8027 -0.433577 -274.783 -20.6695 39.5972 -113.286 -16.8517 PRESSAVG: 2949000 -73.0997 -13.4661 -75.5515 -13.4661 0.63355 -21.4401 -75.5515 -21.4402 61.8479 GPRESSAVG: 2949000 -73.7149 -12.2178 -75.7406 -14.4407 1.8716 -20.7623 -75.7267 -20.0675 61.2005 TIMING: 2949000 CPU: 8558.48, 0.00289938/step Wall: 8558.48, 0.00289939/step, 1.65184 hours remaining, 206.980469 MB of memory in use. ENERGY: 2949000 749.0398 2117.5399 1954.7982 109.8058 -206145.4799 17636.5649 0.0000 0.0000 34271.8998 -149305.8315 299.3050 -183577.7313 -149202.3352 299.5576 -48.5509 -13.6273 557413.4754 -3.5394 -3.5476 PRESSURE: 2949200 -115.598 101.38 -47.0331 101.379 -127.792 53.8158 -47.0327 53.8172 13.5075 GPRESSURE: 2949200 -103.379 106.278 -45.3666 101.832 -100.13 -46.2755 -82.485 78.2953 60.2033 PRESSAVG: 2949200 2.35758 -0.682791 51.1185 -0.682891 -17.195 -15.8141 51.1185 -15.8141 50.3885 GPRESSAVG: 2949200 2.68916 0.754354 49.7858 -0.921595 -18.4845 -19.4928 50.1516 -15.7273 50.8015 TIMING: 2949200 CPU: 8559.06, 0.0029098/step Wall: 8559.06, 0.0029098/step, 1.65762 hours remaining, 206.980469 MB of memory in use. ENERGY: 2949200 763.3592 2123.5124 1948.7011 110.3969 -206186.4688 17779.2871 0.0000 0.0000 34210.4590 -149250.7532 298.7684 -183461.2121 -149157.5400 299.4218 -76.6276 -47.7687 555541.6502 11.8504 11.6687 PRESSURE: 2949400 -182.15 -62.5851 106.454 -62.5851 -49.0103 -128.278 106.455 -128.277 -189.349 GPRESSURE: 2949400 -161.128 0.23982 36.5109 -162.689 -25.813 -158.393 153.072 -107.846 -128.228 PRESSAVG: 2949400 44.6438 18.482 28.9673 18.482 -31.0302 -33.8442 28.9673 -33.8442 -7.91736 GPRESSAVG: 2949400 44.0073 18.046 30.2855 18.5339 -30.7373 -32.6118 30.8108 -35.2167 -7.9038 TIMING: 2949400 CPU: 8559.65, 0.00291271/step Wall: 8559.65, 0.00291271/step, 1.65911 hours remaining, 206.980469 MB of memory in use. ENERGY: 2949400 760.0633 2089.2322 1942.7599 112.9991 -205866.1623 17650.0235 0.0000 0.0000 34159.8027 -149151.2817 298.3261 -183311.0844 -149046.0776 299.9521 -140.1697 -105.0566 557886.6542 1.8987 1.7887 PRESSURE: 2949600 -78.038 88.6112 -6.04443 88.6105 25.2911 -1.91393 -6.04338 -1.91551 -191.777 GPRESSURE: 2949600 -22.3341 13.6499 72.9118 122.825 90.5694 36.3319 -3.17665 -61.0203 -213.716 PRESSAVG: 2949600 -26.7093 17.6779 18.3607 17.6779 -20.2483 -73.9419 18.3608 -73.942 16.211 GPRESSAVG: 2949600 -25.096 17.92 18.0986 17.8818 -21.0052 -73.6719 16.6766 -74.136 15.8094 TIMING: 2949600 CPU: 8560.22, 0.00288396/step Wall: 8560.22, 0.00288396/step, 1.64257 hours remaining, 206.980469 MB of memory in use. ENERGY: 2949600 734.2453 2120.2902 1970.6325 113.5799 -206134.5252 17685.5303 0.0000 0.0000 34247.8291 -149262.4180 299.0948 -183510.2471 -149164.5297 298.6281 -81.5080 -48.4936 556809.9234 -10.2489 -10.0973 PRESSURE: 2949800 -106.96 -24.375 -83.7207 -24.3744 -117.137 83.89 -83.7208 83.8888 -105.411 GPRESSURE: 2949800 -28.1188 -68.0977 -103.024 -13.2504 -127.682 24.2507 17.9501 86.6793 -83.8518 PRESSAVG: 2949800 -22.2673 37.0624 18.8199 37.0624 16.5421 -5.27417 18.8198 -5.27414 -22.7012 GPRESSAVG: 2949800 -23.4665 35.6468 19.9644 37.0445 16.91 -4.05168 18.6082 -5.96072 -21.6967 TIMING: 2949800 CPU: 8560.8, 0.00290311/step Wall: 8560.8, 0.00290311/step, 1.65332 hours remaining, 206.980469 MB of memory in use. ENERGY: 2949800 745.6320 2069.7995 1960.2962 117.4781 -205936.9009 17598.2763 0.0000 0.0000 34082.1772 -149363.2415 297.6481 -183445.4187 -149263.4158 298.3414 -109.8359 -79.8842 558261.9752 -9.4754 -9.4177 PRESSURE: 2950000 -91.4995 73.203 -92.9093 73.2015 -34.4454 -74.9692 -92.9084 -74.9685 -224.705 GPRESSURE: 2950000 -47.8806 99.2013 -78.1375 40.1868 -72.7343 -80.054 -84.1859 -37.3826 -121.507 PRESSAVG: 2950000 -87.8742 3.35782 -5.08747 3.35788 94.6167 46.8366 -5.08745 46.8367 -37.5417 GPRESSAVG: 2950000 -87.1636 2.65263 -6.12971 4.18235 95.8936 44.0947 -4.94296 48.3979 -39.6081 TIMING: 2950000 CPU: 8561.39, 0.00292508/step Wall: 8561.39, 0.00292508/step, 1.66567 hours remaining, 206.980469 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: 2950000 735.3752 2135.0558 1959.7017 113.4840 -206000.7695 17740.6928 0.0000 0.0000 34119.8718 -149196.5883 297.9773 -183316.4601 -149100.1551 298.1568 -116.8832 -80.7074 558211.8778 -10.2664 -10.2927 PRESSURE: 2950200 5.89106 50.9043 -44.7783 50.9046 -139.959 -131.71 -44.7781 -131.711 -359.584 GPRESSURE: 2950200 -7.62533 -33.9966 -76.8944 -23.7831 -115.228 -128.552 -52.1701 -97.8044 -290.872 PRESSAVG: 2950200 33.7145 51.6281 13.4169 51.6281 6.43632 30.1095 13.417 30.1095 -49.464 GPRESSAVG: 2950200 32.6847 53.6235 14.7866 53.4921 5.96457 32.3466 13.7131 30.7095 -47.738 TIMING: 2950200 CPU: 8561.97, 0.00290851/step Wall: 8561.97, 0.00290851/step, 1.65607 hours remaining, 206.980469 MB of memory in use. ENERGY: 2950200 786.2791 2078.3091 1957.7066 108.5548 -206137.5710 17646.7050 0.0000 0.0000 34269.6991 -149290.3173 299.2858 -183560.0164 -149189.9609 298.9788 -164.5508 -137.9084 558371.6208 -3.1044 -3.0296 PRESSURE: 2950400 -315.838 -28.4497 -94.1621 -28.4496 -250.074 22.5684 -94.1619 22.5673 82.7508 GPRESSURE: 2950400 -261.857 -42.1108 -54.5158 -47.7429 -199.436 -77.8675 -112.412 41.3069 61.222 PRESSAVG: 2950400 -35.5474 18.9924 -12.6472 18.9925 -25.4096 -41.0115 -12.6473 -41.0116 37.2642 GPRESSAVG: 2950400 -35.867 18.698 -13.2717 17.7504 -24.5237 -40.7859 -12.3085 -41.2928 36.9998 TIMING: 2950400 CPU: 8562.55, 0.00289616/step Wall: 8562.55, 0.00289616/step, 1.64888 hours remaining, 206.980469 MB of memory in use. ENERGY: 2950400 749.8223 2083.2993 1964.4106 102.9074 -206152.0006 17629.2353 0.0000 0.0000 34320.3444 -149301.9813 299.7281 -183622.3258 -149200.7439 299.0422 -161.0536 -133.3573 557462.3573 -7.8976 -7.7970 PRESSURE: 2950600 -210.661 -46.2038 22.6293 -46.2049 113.446 137.581 22.6292 137.581 -252.199 GPRESSURE: 2950600 -161.761 -14.3143 29.9893 -39.3579 121.679 208.313 75.5793 -5.45758 -224.672 PRESSAVG: 2950600 8.77628 23.5783 -4.73194 23.5784 -38.1347 -35.7848 -4.73186 -35.7847 22.3106 GPRESSAVG: 2950600 9.66701 20.7361 -7.05472 24.7641 -39.2813 -34.2837 -3.17018 -36.2282 23.0981 TIMING: 2950600 CPU: 8563.13, 0.0028989/step Wall: 8563.13, 0.0028989/step, 1.65028 hours remaining, 206.980469 MB of memory in use. ENERGY: 2950600 759.6403 2130.5079 1936.8951 100.9554 -205666.9561 17527.0371 0.0000 0.0000 34202.6660 -149009.2543 298.7004 -183211.9204 -148908.6750 299.3738 -116.4713 -88.2515 556988.8561 -2.3492 -2.1720 PRESSURE: 2950800 -355.826 43.4364 202.813 43.4372 -38.9729 -165.02 202.813 -165.02 -77.7883 GPRESSURE: 2950800 -287.235 -15.3742 233.978 105.749 -66.3197 -215.987 184.988 -69.9799 -23.1398 PRESSAVG: 2950800 -28.6656 19.4088 52.9524 19.4089 70.2017 32.921 52.9524 32.921 -36.2658 GPRESSAVG: 2950800 -27.3816 22.08 53.2513 16.5534 70.7062 28.6368 51.755 35.177 -37.8971 TIMING: 2950800 CPU: 8563.71, 0.00289177/step Wall: 8563.71, 0.00289177/step, 1.64606 hours remaining, 207.050781 MB of memory in use. ENERGY: 2950800 774.5817 2108.9723 1995.6780 110.3632 -205937.7385 17639.7522 0.0000 0.0000 34217.0535 -149091.3377 298.8260 -183308.3912 -148995.1069 299.6536 -157.5291 -125.5648 557255.4419 1.7568 1.8091 PRESSURE: 2951000 -178.794 84.1721 34.3735 84.1714 205.607 43.7577 34.373 43.7575 285.494 GPRESSURE: 2951000 -141.566 39.0577 22.5435 52.1023 201.078 68.0542 -17.7221 108.545 353.161 PRESSAVG: 2951000 -48.7348 12.9949 -11.7312 12.995 33.329 -5.42155 -11.7311 -5.42165 29.0251 GPRESSAVG: 2951000 -49.1864 14.3902 -11.0076 13.8195 33.9338 -1.64112 -10.13 -8.05723 28.5968 TIMING: 2951000 CPU: 8564.29, 0.00289303/step Wall: 8564.29, 0.00289303/step, 1.64662 hours remaining, 207.050781 MB of memory in use. ENERGY: 2951000 706.4550 2096.0261 1930.3580 105.4072 -206047.3113 17868.7819 0.0000 0.0000 34144.5557 -149195.7275 298.1929 -183340.2832 -149095.9168 299.6339 104.1025 137.5574 558278.7129 4.5398 4.4481 PRESSURE: 2951200 134.182 -54.5599 170.326 -54.56 207.662 98.2081 170.326 98.2066 -98.5735 GPRESSURE: 2951200 184.958 -23.3013 119.532 -67.9434 179.623 152.347 181.645 67.7161 -21.0867 PRESSAVG: 2951200 35.8148 32.6304 16.9079 32.6305 -2.13866 -31.0911 16.9079 -31.0911 19.627 GPRESSAVG: 2951200 33.6202 32.0443 16.7148 32.6855 -3.0818 -31.7318 13.812 -30.5393 22.1793 TIMING: 2951200 CPU: 8564.86, 0.00288647/step Wall: 8564.86, 0.00288647/step, 1.64272 hours remaining, 207.050781 MB of memory in use. ENERGY: 2951200 724.8425 2078.3392 1939.2532 118.6610 -206676.2708 18038.8633 0.0000 0.0000 34490.5341 -149285.7776 301.2144 -183776.3116 -149189.5360 299.1140 81.0902 114.4982 557459.7427 17.7677 17.5726 PRESSURE: 2951400 68.6382 81.7735 98.2177 81.7733 -75.2816 85.0376 98.2173 85.0373 -375.671 GPRESSURE: 2951400 73.7366 80.3967 172.434 154.08 -4.91875 43.4184 -10.8177 73.3447 -347.738 PRESSAVG: 2951400 18.5774 30.2697 2.48458 30.2697 26.3955 -13.8918 2.48444 -13.8918 -20.0039 GPRESSAVG: 2951400 19.0879 30.467 3.02773 30.3208 26.2832 -16.2272 4.51839 -12.8455 -20.834 TIMING: 2951400 CPU: 8565.44, 0.00289643/step Wall: 8565.44, 0.00289643/step, 1.64823 hours remaining, 207.050781 MB of memory in use. ENERGY: 2951400 770.3111 2079.4223 1961.1006 111.9254 -206090.9830 17666.2023 0.0000 0.0000 34128.0142 -149374.0071 298.0484 -183502.0213 -149284.7676 299.1747 -127.4381 -92.9733 557763.0131 8.3230 8.1790 PRESSURE: 2951600 -123.021 71.8439 50.5366 71.8441 -378.959 78.1147 50.536 78.1164 -319.438 GPRESSURE: 2951600 -80.2879 214.508 85.9004 45.8533 -359.431 143.719 38.9979 8.31911 -292.115 PRESSAVG: 2951600 17.4057 37.0688 -14.8095 37.0688 3.12732 9.66798 -14.8096 9.66788 -58.2554 GPRESSAVG: 2951600 17.3487 35.9699 -13.6898 36.7732 3.52731 11.4527 -14.1303 7.64598 -59.067 TIMING: 2951600 CPU: 8566.03, 0.00291085/step Wall: 8566.03, 0.00291085/step, 1.65627 hours remaining, 207.257812 MB of memory in use. ENERGY: 2951600 735.4503 2101.2658 1966.7884 128.5897 -205742.8083 17377.8400 0.0000 0.0000 34140.6932 -149292.1808 298.1592 -183432.8740 -149192.4201 298.8670 -273.8062 -243.9447 558453.6279 -12.5741 -12.7303 PRESSURE: 2951800 -56.542 -66.2711 61.2391 -66.2718 13.0571 58.9461 61.2384 58.9461 135.678 GPRESSURE: 2951800 -17.1146 -58.5599 113.692 -13.7888 86.1821 71.8528 21.1683 59.463 121.097 PRESSAVG: 2951800 13.5188 -5.46492 14.1335 -5.46493 11.8123 -30.1087 14.1335 -30.1087 -3.004 GPRESSAVG: 2951800 14.4755 -6.58001 13.1884 -4.10992 10.8732 -30.2968 12.8808 -30.9136 -3.54035 TIMING: 2951800 CPU: 8566.61, 0.00291715/step Wall: 8566.61, 0.00291715/step, 1.6597 hours remaining, 207.257812 MB of memory in use. ENERGY: 2951800 729.0673 2113.9285 1951.0339 104.7718 -206073.7010 17643.5523 0.0000 0.0000 34387.9461 -149143.4013 300.3185 -183531.3473 -149041.4899 299.7340 30.7311 63.3881 557854.0409 7.4424 7.2694 PRESSURE: 2952000 -100.543 -44.8738 44.4907 -44.8743 -76.1005 -112.969 44.4895 -112.968 -170.076 GPRESSURE: 2952000 -79.5631 5.22629 103.345 -52.0607 -11.1578 -126.657 61.3586 -111.541 -168.172 PRESSAVG: 2952000 -35.9743 0.665925 17.3808 0.665991 37.1879 -40.1052 17.3808 -40.1053 -19.5894 GPRESSAVG: 2952000 -35.9606 1.3404 17.4201 -0.225379 37.6226 -39.6949 17.4503 -40.6697 -19.4835 TIMING: 2952000 CPU: 8567.19, 0.00289475/step Wall: 8567.19, 0.00289475/step, 1.64679 hours remaining, 207.257812 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: 2952000 720.0996 2044.0856 1950.9923 107.7127 -205807.0661 17542.0909 0.0000 0.0000 34216.1680 -149225.9170 298.8183 -183442.0850 -149128.6596 299.6888 -115.5731 -86.2977 557335.3611 -6.1253 -5.9405 PRESSURE: 2952200 22.1715 45.3853 -20.4407 45.3847 -169.151 -70.7178 -20.4422 -70.7183 -160.142 GPRESSURE: 2952200 10.6441 -28.4038 77.8524 -4.563 -131.247 -41.6478 -29.0015 -127.963 -98.0066 PRESSAVG: 2952200 5.66292 -38.7983 8.63909 -38.7984 -56.9072 -45.5948 8.63905 -45.5948 40.7779 GPRESSAVG: 2952200 5.23298 -38.5458 10.0483 -40.9199 -56.9537 -47.9937 8.12678 -42.6012 40.662 TIMING: 2952200 CPU: 8567.77, 0.00291461/step Wall: 8567.77, 0.00291461/step, 1.65793 hours remaining, 207.257812 MB of memory in use. ENERGY: 2952200 773.7593 2003.7112 1967.3900 104.5653 -206185.6300 17757.9504 0.0000 0.0000 34325.8929 -149252.3610 299.7766 -183578.2538 -149159.9482 299.2518 -102.3736 -72.8697 557867.1367 -3.4888 -3.6862 LDB: ============= START OF LOAD BALANCING ============== 8571.24 LDB: ============== END OF LOAD BALANCING =============== 8571.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.24 LDB: ============= START OF LOAD BALANCING ============== 8571.53 LDB: Largest compute 4849 load 0.027469 is 23.3% of average load 0.117779 LDB: Average compute 0.001707 is 1.4% of average load 0.117779 LDB: TIME 8571.53 LOAD: AVG 0.117779 MAX 0.178448 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.461 MB LDB: TIME 8571.53 LOAD: AVG 0.117779 MAX 0.178448 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: TIME 8571.53 LOAD: AVG 0.117779 MAX 0.178448 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8571.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.54 PRESSURE: 2952400 72.157 1.81927 23.1673 1.81896 244.411 -64.6195 23.1663 -64.6204 9.58667 GPRESSURE: 2952400 195.21 -129.933 73.7864 -1.61885 179.526 -124.867 -54.2259 -91.2092 45.7148 PRESSAVG: 2952400 39.3329 10.8011 27.5876 10.8012 -33.0898 -24.9391 27.5875 -24.9392 4.74949 GPRESSAVG: 2952400 38.5852 12.0359 27.5244 12.0929 -32.5735 -24.1515 27.6075 -26.3232 4.39875 TIMING: 2952400 CPU: 8568.36, 0.0029674/step Wall: 8568.36, 0.0029674/step, 1.68779 hours remaining, 205.890625 MB of memory in use. ENERGY: 2952400 734.4875 2110.2069 1946.8245 108.3480 -206294.4330 18025.6588 0.0000 0.0000 33984.4997 -149384.4077 296.7951 -183368.9074 -149286.8853 299.1067 108.7182 140.1505 557388.2773 3.6642 3.4701 PRESSURE: 2952600 -33.3443 -49.1883 -4.81856 -49.1882 -44.3837 -24.2826 -4.81856 -24.283 -218.258 GPRESSURE: 2952600 -29.0041 -75.4174 -74.4612 -44.8714 41.5432 -27.6119 -35.6595 -51.6768 -214.614 PRESSAVG: 2952600 47.8276 40.2404 -26.9312 40.2404 -42.9381 45.7895 -26.9312 45.7896 5.88357 GPRESSAVG: 2952600 47.7533 40.1763 -29.2734 39.5391 -42.1943 46.5771 -26.5637 44.9217 5.90182 TIMING: 2952600 CPU: 8568.95, 0.0029019/step Wall: 8568.95, 0.0029019/step, 1.65038 hours remaining, 206.132812 MB of memory in use. ENERGY: 2952600 727.4685 2106.4237 1945.0475 125.2867 -206039.4745 17674.7604 0.0000 0.0000 34072.9242 -149387.5636 297.5673 -183460.4878 -149293.4457 298.2332 -98.6619 -67.3583 557089.4727 3.5910 3.8203 PRESSURE: 2952800 35.4521 50.4265 -143.516 50.4268 -116.144 79.1798 -143.516 79.1806 -321.684 GPRESSURE: 2952800 5.48385 61.3662 -116.893 -11.6654 -51.8884 84.3705 -99.8109 105.481 -265.454 PRESSAVG: 2952800 -45.7579 3.07628 36.3381 3.07639 102.777 26.8128 36.3381 26.8128 -47.6178 GPRESSAVG: 2952800 -45.5097 1.34957 37.4425 2.32454 101.264 28.2464 35.7581 26.6352 -46.9805 TIMING: 2952800 CPU: 8569.53, 0.00290666/step Wall: 8569.53, 0.00290666/step, 1.65292 hours remaining, 206.394531 MB of memory in use. ENERGY: 2952800 755.1697 2049.8227 1960.6415 111.4114 -206273.9021 17715.5854 0.0000 0.0000 34448.1095 -149233.1619 300.8439 -183681.2714 -149135.0126 298.7643 -134.1251 -103.9528 558140.7753 3.1338 2.9248 PRESSURE: 2953000 248.157 133.203 -165.574 133.203 129.082 -119.938 -165.574 -119.938 -159.665 GPRESSURE: 2953000 248.12 116.609 -215.603 148.803 166.073 -72.6057 -175.265 -187.075 -107.078 PRESSAVG: 2953000 65.1123 1.23959 20.8164 1.23965 16.7092 -6.57412 20.8164 -6.57427 -103.753 GPRESSAVG: 2953000 65.4659 1.4464 19.0534 1.59366 15.5418 -7.8195 22.3862 -7.11929 -102.698 TIMING: 2953000 CPU: 8570.11, 0.00290552/step Wall: 8570.11, 0.00290552/step, 1.65211 hours remaining, 206.394531 MB of memory in use. ENERGY: 2953000 729.4694 2090.3198 1975.6788 109.8379 -206317.4953 17927.6996 0.0000 0.0000 34239.3498 -149245.1400 299.0208 -183484.4898 -149149.7905 299.1352 72.5248 102.3719 557851.5279 -7.3104 -7.2300 PRESSURE: 2953200 -46.4308 -15.9715 -73.7976 -15.9696 110.392 -118.188 -73.7969 -118.186 -91.4638 GPRESSURE: 2953200 2.56288 -70.1368 -14.1984 35.8133 151.891 -164.702 -46.8308 -87.0611 -80.8545 PRESSAVG: 2953200 -17.0933 -13.5509 -28.0196 -13.551 56.4679 -69.4417 -28.0196 -69.4417 -54.9274 GPRESSAVG: 2953200 -16.2292 -16.2255 -26.5886 -11.2637 56.9104 -72.27 -28.8374 -68.0182 -56.3365 TIMING: 2953200 CPU: 8570.69, 0.00292072/step Wall: 8570.69, 0.00292072/step, 1.66059 hours remaining, 206.394531 MB of memory in use. ENERGY: 2953200 736.0078 2072.9459 1927.9774 115.2565 -206061.2173 17635.5671 0.0000 0.0000 34359.3697 -149214.0929 300.0689 -183573.4626 -149118.9977 299.0881 -9.1676 24.5331 557437.3323 -5.1843 -5.2184 PRESSURE: 2953400 -93.2915 160.169 29.7441 160.168 153.848 143.087 29.7437 143.086 -39.0021 GPRESSURE: 2953400 2.9734 165.59 34.4303 242.892 151.812 114.795 -31.2688 222.988 -42.8462 PRESSAVG: 2953400 3.05248 6.08665 -17.572 6.08667 18.303 -76.2967 -17.572 -76.2968 -8.38951 GPRESSAVG: 2953400 2.98441 8.99006 -17.0939 5.55986 19.5227 -75.102 -18.129 -75.0426 -9.5246 TIMING: 2953400 CPU: 8571.27, 0.00289509/step Wall: 8571.27, 0.00289509/step, 1.64586 hours remaining, 206.394531 MB of memory in use. ENERGY: 2953400 773.6801 2137.2871 1954.8777 105.2597 -206545.8686 18033.0228 0.0000 0.0000 34153.2912 -149388.4500 298.2692 -183541.7412 -149296.7470 299.1135 7.1849 37.3132 556405.9719 4.3220 4.3275 PRESSURE: 2953600 -107.11 29.5977 10.2732 29.5973 -89.9378 -204.037 10.2735 -204.037 26.7843 GPRESSURE: 2953600 -23.892 -51.4769 -11.8326 90.8342 -26.0137 -236.601 28.1805 -197.124 -20.4505 PRESSAVG: 2953600 0.127541 -6.97054 36.3967 -6.97061 -12.041 -27.5865 36.3967 -27.5865 2.21872 GPRESSAVG: 2953600 -1.79781 -7.22853 39.2324 -7.44462 -13.0345 -26.1561 35.3417 -29.5064 4.8828 TIMING: 2953600 CPU: 8571.85, 0.00290851/step Wall: 8571.85, 0.00290851/step, 1.65333 hours remaining, 206.394531 MB of memory in use. ENERGY: 2953600 704.3798 2122.0058 1940.3778 100.1138 -206556.0977 18016.0724 0.0000 0.0000 34013.6568 -149659.4913 297.0497 -183673.1481 -149559.7938 297.9134 -56.7546 -23.4521 556591.6343 -3.2316 -3.3165 PRESSURE: 2953800 266.673 66.2362 87.0544 66.2355 31.503 -54.4789 87.056 -54.4797 100.19 GPRESSURE: 2953800 280.156 -36.6472 183.589 179.001 86.9692 -63.3037 102.359 -66.7856 114.17 PRESSAVG: 2953800 32.6767 46.6972 7.4397 46.6971 -0.728147 -11.6372 7.43968 -11.6373 -24.0254 GPRESSAVG: 2953800 33.5325 48.1403 4.77181 47.738 -0.0285457 -12.8839 9.22546 -12.0441 -26.0729 TIMING: 2953800 CPU: 8572.43, 0.00287606/step Wall: 8572.43, 0.00287606/step, 1.63472 hours remaining, 206.394531 MB of memory in use. ENERGY: 2953800 693.6442 2119.1765 1969.1495 108.1934 -206536.8712 17932.3593 0.0000 0.0000 34240.1447 -149474.2036 299.0277 -183714.3483 -149379.9818 298.4285 132.7886 160.4315 555824.2769 2.6410 2.4770 PRESSURE: 2954000 -96.1095 -29.464 -0.227227 -29.4646 98.3426 56.2514 -0.227819 56.2515 -25.8122 GPRESSURE: 2954000 -82.5262 15.2145 -6.97512 -36.3552 126.599 49.5323 26.895 167.361 19.1108 PRESSAVG: 2954000 35.6285 -28.4261 -1.98869 -28.4262 -29.3712 -61.9277 -1.98863 -61.9278 -26.1914 GPRESSAVG: 2954000 34.8731 -31.6645 -2.43507 -28.2979 -29.7728 -63.228 -2.52377 -62.256 -25.1509 TIMING: 2954000 CPU: 8573.01, 0.0028872/step Wall: 8573.01, 0.0028872/step, 1.64089 hours remaining, 206.394531 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: 2954000 719.3622 2008.7935 1976.0379 118.2826 -206506.3208 17818.3580 0.0000 0.0000 34399.2745 -149466.2121 300.4174 -183865.4866 -149358.7457 298.1260 -7.8597 21.0612 556348.8300 -6.6447 -6.6835 PRESSURE: 2954200 201.402 -24.1834 52.9857 -24.1834 -21.2984 -49.3406 52.985 -49.3419 49.278 GPRESSURE: 2954200 228.27 33.0967 135.632 -101.397 7.37105 -71.9995 15.239 -18.3847 95.6392 PRESSAVG: 2954200 44.7171 2.44613 -6.4564 2.44625 -2.64397 -37.665 -6.4565 -37.6651 -25.063 GPRESSAVG: 2954200 45.2063 3.06017 -5.73377 1.83066 -3.66871 -38.7572 -8.68528 -36.8325 -24.6832 TIMING: 2954200 CPU: 8573.59, 0.0029135/step Wall: 8573.59, 0.0029135/step, 1.65568 hours remaining, 206.394531 MB of memory in use. ENERGY: 2954200 738.4337 2141.7307 1990.4408 129.5609 -206512.8023 17985.2598 0.0000 0.0000 34159.3906 -149367.9858 298.3225 -183527.3765 -149272.5034 297.7012 76.4607 110.4267 554327.2050 5.6701 5.6181 PRESSURE: 2954400 207.461 85.3005 -32.1445 85.3008 -70.9624 78.3027 -32.1446 78.3029 234.302 GPRESSURE: 2954400 187.937 42.0166 -21.0272 123.628 5.96387 81.9107 -80.6708 56.033 264.117 PRESSAVG: 2954400 16.004 -10.8343 19.6988 -10.8343 -14.672 -1.15192 19.6988 -1.152 -0.304371 GPRESSAVG: 2954400 15.3117 -7.90051 19.6726 -12.8785 -14.3641 0.158996 23.8573 -1.38356 0.154413 TIMING: 2954400 CPU: 8574.17, 0.00290984/step Wall: 8574.17, 0.00290984/step, 1.65344 hours remaining, 206.394531 MB of memory in use. ENERGY: 2954400 722.9742 2093.5863 1947.6906 112.8058 -206431.9279 17905.0300 0.0000 0.0000 34514.3204 -149135.5206 301.4221 -183649.8410 -149038.1124 299.3409 123.6001 152.6727 557171.4562 0.3425 0.3673 PRESSURE: 2954600 316.473 -18.8511 45.5236 -18.8498 -169.572 41.2163 45.523 41.2179 116.498 GPRESSURE: 2954600 320.815 -42.9582 34.3251 -47.0992 -105.051 81.289 54.068 40.3809 149.492 PRESSAVG: 2954600 78.6321 -23.5587 -24.2636 -23.5586 -32.0595 4.02903 -24.2637 4.02905 -42.0546 GPRESSAVG: 2954600 79.6916 -25.4233 -23.3164 -22.1972 -31.9711 5.35797 -28.6512 2.88542 -42.8363 TIMING: 2954600 CPU: 8574.75, 0.00290111/step Wall: 8574.75, 0.00290111/step, 1.64832 hours remaining, 206.394531 MB of memory in use. ENERGY: 2954600 719.4255 2101.6384 1954.9734 106.7784 -206224.1669 17853.9255 0.0000 0.0000 34302.2498 -149185.1759 299.5701 -183487.4257 -149095.1181 299.7940 87.7998 121.7519 556663.1668 1.5060 1.6281 PRESSURE: 2954800 6.49719 -16.1382 37.768 -16.1374 103.991 46.6934 37.77 46.694 -92.341 GPRESSURE: 2954800 66.8112 -20.3082 -48.4268 21.5199 149.216 39.7978 103.209 -18.8119 -97.3052 PRESSAVG: 2954800 46.6802 -70.0248 -7.17375 -70.0247 -30.1873 -2.33427 -7.17372 -2.33428 0.416826 GPRESSAVG: 2954800 46.8511 -69.2411 -8.06524 -68.8285 -29.9882 -3.1145 -5.07323 -1.986 0.311772 TIMING: 2954800 CPU: 8575.33, 0.00291039/step Wall: 8575.33, 0.00291039/step, 1.65343 hours remaining, 206.394531 MB of memory in use. ENERGY: 2954800 729.2419 2074.2113 1992.6897 116.8907 -206576.3333 17938.3959 0.0000 0.0000 34227.3548 -149497.5490 298.9160 -183724.9038 -149403.7025 299.1270 6.0491 39.5739 557125.8808 5.6366 5.7249 PRESSURE: 2955000 -36.1157 50.6947 -84.9332 50.6944 102.446 -112.132 -84.9336 -112.134 192.948 GPRESSURE: 2955000 16.0893 24.3982 -116.96 58.5257 153.215 -168.696 -70.2557 -31.9798 180.049 PRESSAVG: 2955000 -29.2589 23.7033 -16.4939 23.7033 4.29079 35.854 -16.4939 35.854 18.3278 GPRESSAVG: 2955000 -28.7648 23.2263 -13.0257 21.5339 3.71933 36.9013 -17.8043 37.1947 18.3859 TIMING: 2955000 CPU: 8575.92, 0.00291917/step Wall: 8575.92, 0.00291917/step, 1.65825 hours remaining, 206.394531 MB of memory in use. ENERGY: 2955000 780.3839 2122.2688 1980.6362 108.3184 -206742.7490 18053.5833 0.0000 0.0000 34217.1210 -149480.4373 298.8266 -183697.5583 -149386.3018 298.9243 86.4258 116.4512 555735.0568 -2.2134 -2.2198 PRESSURE: 2955200 -140.341 -78.3904 -15.6957 -78.3915 -215.255 162.502 -15.6967 162.501 32.4695 GPRESSURE: 2955200 -107.958 -107.913 -75.5567 -64.1154 -134.318 182.804 25.9052 122.921 14.6776 PRESSAVG: 2955200 -25.5392 -29.8328 21.2843 -29.8328 39.1996 60.0374 21.2844 60.0373 41.4759 GPRESSAVG: 2955200 -26.0622 -28.5072 18.6586 -30.405 40.2673 60.6474 21.0942 56.7448 40.9582 TIMING: 2955200 CPU: 8576.5, 0.00290955/step Wall: 8576.5, 0.00290955/step, 1.65263 hours remaining, 206.394531 MB of memory in use. ENERGY: 2955200 751.8763 2112.6128 1966.9697 109.4188 -206196.5634 17622.3678 0.0000 0.0000 34066.4028 -149566.9151 297.5104 -183633.3180 -149479.2406 298.7886 -107.7088 -75.8663 555367.3007 18.3788 18.3878 PRESSURE: 2955400 -233.59 166.854 22.5794 166.854 -93.4377 35.1077 22.5785 35.1068 60.9066 GPRESSURE: 2955400 -265.084 153.854 10.9331 174.396 -26.082 46.1487 -20.0254 60.224 115.573 PRESSAVG: 2955400 -42.0373 31.7345 8.05636 31.7345 39.6299 60.1381 8.05627 60.1381 -24.6709 GPRESSAVG: 2955400 -40.8178 29.9743 6.95914 31.1933 38.754 58.0189 9.6782 61.4162 -25.5326 TIMING: 2955400 CPU: 8577.08, 0.00292741/step Wall: 8577.08, 0.00292741/step, 1.66261 hours remaining, 206.394531 MB of memory in use. ENERGY: 2955400 744.7455 2106.1961 1997.4763 107.8532 -206373.4579 17627.7934 0.0000 0.0000 34312.2573 -149477.1361 299.6575 -183789.3934 -149387.1742 298.7036 -88.7071 -58.5311 555699.3336 -9.0261 -9.1988 PRESSURE: 2955600 -285.115 9.81778 -6.5153 9.8181 -370.38 0.659009 -6.51592 0.658446 -521.341 GPRESSURE: 2955600 -247.552 11.4509 103.641 46.8344 -337.557 -84.1468 -54.4239 -20.0934 -489.223 PRESSAVG: 2955600 54.4383 -8.87698 17.6131 -8.87691 -35.2558 69.5977 17.613 69.5976 5.00124 GPRESSAVG: 2955600 52.9433 -9.74669 20.3675 -8.60482 -34.7906 70.562 16.7522 67.8758 5.33605 TIMING: 2955600 CPU: 8577.66, 0.00290689/step Wall: 8577.66, 0.00290689/step, 1.65079 hours remaining, 206.394531 MB of memory in use. ENERGY: 2955600 764.9680 2073.8698 1930.7814 113.5141 -205598.8743 17149.2483 0.0000 0.0000 34174.0055 -149392.4871 298.4501 -183566.4927 -149293.5271 298.8509 -392.2786 -358.1104 558236.4262 8.0612 7.8296 PRESSURE: 2955800 -94.7985 -185.684 2.58112 -185.685 -295.931 -88.6403 2.57979 -88.6398 -108.869 GPRESSURE: 2955800 -36.8616 -198.224 -49.3376 -128.995 -304.52 -10.5788 36.3462 -140.618 -55.2736 PRESSAVG: 2955800 26.6978 6.74518 35.9966 6.74515 -11.3778 -26.2772 35.9965 -26.2771 -28.2498 GPRESSAVG: 2955800 27.3851 7.46168 33.7619 7.96348 -12.1651 -25.9804 36.6297 -23.3379 -28.0216 TIMING: 2955800 CPU: 8578.25, 0.00290491/step Wall: 8578.25, 0.00290491/step, 1.6495 hours remaining, 206.394531 MB of memory in use. ENERGY: 2955800 748.3733 2048.2549 1971.9209 111.7761 -205728.5084 17529.0367 0.0000 0.0000 34122.6466 -149196.4999 298.0016 -183319.1465 -149103.3366 300.0144 -166.5328 -132.2183 556911.9494 -4.3099 -4.2672 PRESSURE: 2956000 -94.1174 90.219 158.388 90.2175 -4.80946 37.3428 158.387 37.3426 -56.5104 GPRESSURE: 2956000 -55.9546 111.966 150.443 13.5829 26.742 -42.6661 198.32 159.983 -35.503 PRESSAVG: 2956000 -22.1722 -5.75169 45.212 -5.7517 -20.5215 3.14872 45.212 3.14863 14.1875 GPRESSAVG: 2956000 -22.113 -3.60157 45.662 -7.47811 -20.234 1.17607 45.5305 2.63685 13.8543 TIMING: 2956000 CPU: 8578.82, 0.00289212/step Wall: 8578.82, 0.00289212/step, 1.64208 hours remaining, 206.394531 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: 2956000 738.4850 2096.0163 1970.1594 111.8878 -206290.5504 17730.0682 0.0000 0.0000 34340.7971 -149303.1366 299.9067 -183643.9337 -149208.2285 298.6437 -51.8124 -21.5719 557011.4999 -9.5021 -9.4976 PRESSURE: 2956200 -51.2474 161.913 -138.573 161.912 -68.532 -135.699 -138.575 -135.698 129.98 GPRESSURE: 2956200 -55.9831 162.19 -154.282 182.87 -1.89277 -139.799 -23.7126 -104.118 151.148 PRESSAVG: 2956200 7.36783 -6.20444 41.1136 -6.20442 -22.5092 -26.1667 41.1135 -26.1667 -2.71059 GPRESSAVG: 2956200 7.56462 -8.61981 42.5745 -5.75719 -22.5977 -24.0558 40.8018 -27.713 -2.63616 TIMING: 2956200 CPU: 8579.4, 0.00287402/step Wall: 8579.4, 0.00287402/step, 1.63164 hours remaining, 206.394531 MB of memory in use. ENERGY: 2956200 728.6987 2092.5152 1987.0767 112.4077 -206338.9264 17960.4618 0.0000 0.0000 34345.7750 -149111.9913 299.9502 -183457.7663 -149013.6907 299.4722 3.4003 31.0909 556493.5307 -5.9507 -5.8898 LDB: ============= START OF LOAD BALANCING ============== 8582.86 LDB: ============== END OF LOAD BALANCING =============== 8582.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8582.86 LDB: ============= START OF LOAD BALANCING ============== 8583.15 LDB: Largest compute 4821 load 0.027628 is 23.5% of average load 0.117804 LDB: Average compute 0.001711 is 1.5% of average load 0.117804 LDB: TIME 8583.16 LOAD: AVG 0.117804 MAX 0.17874 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 8583.16 LOAD: AVG 0.117804 MAX 0.17874 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 8583.16 LOAD: AVG 0.117804 MAX 0.17874 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8583.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8583.16 PRESSURE: 2956400 370.747 -116.477 -11.4133 -116.477 5.72278 106.815 -11.4145 106.815 88.893 GPRESSURE: 2956400 352.616 -136.271 -50.7008 -236.912 58.0618 -21.3499 70.2956 86.8852 148.436 PRESSAVG: 2956400 -49.3424 -26.9014 -36.1129 -26.9014 -16.5774 -1.93317 -36.113 -1.93306 54.1492 GPRESSAVG: 2956400 -50.1628 -26.9824 -35.1692 -26.1856 -15.2435 -3.68999 -36.3423 0.48392 53.6648 TIMING: 2956400 CPU: 8579.99, 0.00294169/step Wall: 8579.99, 0.00294169/step, 1.6699 hours remaining, 205.582031 MB of memory in use. ENERGY: 2956400 737.4313 2093.8765 1947.7668 117.6762 -206486.3800 18156.1276 0.0000 0.0000 34293.6888 -149139.8129 299.4953 -183433.5017 -149045.4647 298.8555 155.1211 186.3714 557886.7834 -3.9235 -3.9138 PRESSURE: 2956600 -85.5303 60.8035 50.723 60.8037 -68.9871 -99.9159 50.7225 -99.9143 370.906 GPRESSURE: 2956600 -83.8318 12.7829 87.5535 47.1539 -44.4068 -31.9265 -18.6669 -140.825 449.8 PRESSAVG: 2956600 30.0186 29.3373 -2.08295 29.3372 -4.27539 0.194327 -2.08298 0.19431 33.909 GPRESSAVG: 2956600 30.1971 30.0175 -2.77742 28.4814 -6.38549 0.348494 -2.26224 -2.16808 35.4499 TIMING: 2956600 CPU: 8580.57, 0.00288998/step Wall: 8580.57, 0.00288998/step, 1.64039 hours remaining, 205.582031 MB of memory in use. ENERGY: 2956600 728.9358 2095.0487 1968.7600 117.4771 -205944.7213 17861.4491 0.0000 0.0000 34077.3746 -149095.6760 297.6062 -183173.0506 -148994.6397 298.8713 72.1295 107.1873 557591.1990 19.8841 19.7538 PRESSURE: 2956800 177.113 42.3532 13.9428 42.3518 178.343 149.032 13.9426 149.034 192.244 GPRESSURE: 2956800 200.379 148.865 92.116 25.6047 252.656 112.779 -65.6122 170.554 183.456 PRESSAVG: 2956800 -46.1015 46.0771 -0.820195 46.0771 -13.2137 34.1363 -0.820278 34.1364 62.4972 GPRESSAVG: 2956800 -45.9124 46.7693 -0.485681 46.3639 -12.7158 35.3804 -0.402032 35.3513 61.268 TIMING: 2956800 CPU: 8581.14, 0.0028967/step Wall: 8581.14, 0.0028967/step, 1.64404 hours remaining, 205.582031 MB of memory in use. ENERGY: 2956800 736.2501 2059.4836 1961.6195 109.3270 -206062.7305 17906.8126 0.0000 0.0000 34258.6779 -149030.5598 299.1896 -183289.2377 -148930.5260 299.7331 182.5665 212.1636 555734.1756 1.0607 0.8799 PRESSURE: 2957000 -189.675 39.1203 120.444 39.1212 -28.065 51.2351 120.445 51.2355 -191.03 GPRESSURE: 2957000 -112.92 3.12628 99.9356 54.4969 -98.9068 102.276 138.023 64.2917 -96.0444 PRESSAVG: 2957000 -9.27282 -19.1977 39.6053 -19.1976 11.2754 5.79431 39.6053 5.79431 19.644 GPRESSAVG: 2957000 -8.23931 -19.4277 37.3136 -17.9613 11.0683 4.48887 39.4348 5.948 19.6345 TIMING: 2957000 CPU: 8581.73, 0.00290533/step Wall: 8581.73, 0.00290533/step, 1.64878 hours remaining, 205.582031 MB of memory in use. ENERGY: 2957000 765.6346 2132.6627 1950.6158 111.8862 -206077.1852 17753.2122 0.0000 0.0000 34449.8735 -148913.3001 300.8593 -183363.1736 -148817.0072 300.1061 -136.2569 -102.6236 556378.3962 7.2155 7.4878 PRESSURE: 2957200 -13.4386 -79.8662 57.8431 -79.8671 -342.636 -153.685 57.8431 -153.685 -287.746 GPRESSURE: 2957200 0.340525 -102.178 46.6533 75.2424 -314.405 -150.986 60.282 -214.04 -235.155 PRESSAVG: 2957200 -33.1417 21.7706 31.899 21.7707 -4.00531 -101.171 31.899 -101.171 44.0659 GPRESSAVG: 2957200 -33.7592 23.0755 34.1626 22.0461 -3.29898 -101.684 31.7885 -99.9376 43.8795 TIMING: 2957200 CPU: 8582.31, 0.00291165/step Wall: 8582.31, 0.00291165/step, 1.6522 hours remaining, 205.785156 MB of memory in use. ENERGY: 2957200 734.9423 2058.1247 1933.1815 113.1625 -205449.3921 17377.4769 0.0000 0.0000 34410.7695 -148821.7347 300.5178 -183232.5041 -148716.3208 299.8806 -214.6071 -183.0730 557644.1435 2.3063 2.2738 PRESSURE: 2957400 -165.49 36.3492 85.6187 36.3484 -174.344 -57.76 85.6185 -57.759 206.223 GPRESSURE: 2957400 -79.9642 -11.9138 112.392 123.744 -129.201 -7.68151 46.7626 -52.8505 177.142 PRESSAVG: 2957400 36.47 -11.7958 66.1676 -11.7958 -33.3605 -4.79701 66.1676 -4.79695 -12.1381 GPRESSAVG: 2957400 37.8538 -14.4122 64.5957 -11.073 -34.1053 -3.42628 65.8748 -6.17163 -12.4574 TIMING: 2957400 CPU: 8582.89, 0.00291229/step Wall: 8582.89, 0.00291229/step, 1.6524 hours remaining, 205.785156 MB of memory in use. ENERGY: 2957400 741.3364 2176.1649 1960.3183 118.5814 -205810.4352 17710.5880 0.0000 0.0000 34386.8870 -148716.5592 300.3092 -183103.4462 -148620.9747 300.5010 -44.5372 -10.6745 558610.0643 -3.0095 -2.9030 PRESSURE: 2957600 -31.5247 17.3543 -77.1599 17.3549 156.253 -34.2325 -77.1601 -34.2333 166.036 GPRESSURE: 2957600 3.28856 123.19 -133.818 4.48636 175.168 -12.3424 -45.5407 30.4157 211.99 PRESSAVG: 2957600 -34.1182 -26.5945 -5.11836 -26.5945 23.8115 -1.86327 -5.1184 -1.86334 52.2792 GPRESSAVG: 2957600 -33.9793 -24.6948 -4.70584 -27.7967 25.0747 -1.68636 -4.51795 -1.92986 52.0418 TIMING: 2957600 CPU: 8583.48, 0.00292393/step Wall: 8583.48, 0.00292393/step, 1.65885 hours remaining, 205.785156 MB of memory in use. ENERGY: 2957600 737.4950 2116.8661 1978.2654 105.7332 -205903.3525 17865.0885 0.0000 0.0000 34338.8899 -148761.0143 299.8901 -183099.9042 -148662.3011 300.2803 96.9213 130.1488 557397.0689 13.9908 14.3791 PRESSURE: 2957800 -367.502 30.462 143.104 30.4618 -349.885 -188.805 143.105 -188.805 -65.4259 GPRESSURE: 2957800 -325.66 53.9556 156.491 42.3898 -292.736 -260.684 88.9164 -108.617 -63.2497 PRESSAVG: 2957800 -80.7366 -32.9478 24.2756 -32.9478 6.50831 -24.4344 24.2758 -24.4343 28.5105 GPRESSAVG: 2957800 -80.9548 -34.4119 27.2539 -32.7543 6.29119 -27.0542 23.1567 -23.2771 29.1329 TIMING: 2957800 CPU: 8584.06, 0.00292111/step Wall: 8584.06, 0.00292111/step, 1.65708 hours remaining, 205.851562 MB of memory in use. ENERGY: 2957800 759.9786 2120.0852 1998.1498 108.6241 -205320.9596 17220.0438 0.0000 0.0000 34287.5299 -148826.5483 299.4415 -183114.0782 -148730.4894 300.1087 -260.9375 -227.2151 558555.0821 -15.2392 -15.1769 PRESSURE: 2958000 -243.107 -141.482 -94.4472 -141.482 -73.6381 8.01542 -94.4472 8.01574 64.729 GPRESSURE: 2958000 -183.404 -121.847 -166.191 -162.751 -37.1886 -7.93546 -105.46 -5.18712 79.2824 PRESSAVG: 2958000 -16.6795 -18.0609 5.03719 -18.0609 14.6694 10.2071 5.03707 10.2073 41.6315 GPRESSAVG: 2958000 -16.984 -18.282 1.88078 -18.7338 15.4836 11.9107 5.82343 9.06694 41.1899 TIMING: 2958000 CPU: 8584.65, 0.00293191/step Wall: 8584.65, 0.00293191/step, 1.66304 hours remaining, 205.851562 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: 2958000 753.5966 2079.4962 1958.0133 107.4664 -205947.2500 17583.8007 0.0000 0.0000 34497.7740 -148967.1029 301.2776 -183464.8768 -148865.1385 300.1501 -84.0053 -47.1034 557662.6380 13.2071 13.2298 PRESSURE: 2958200 -228.698 58.1782 113.351 58.178 -13.4041 -38.1882 113.351 -38.1885 -85.0203 GPRESSURE: 2958200 -215.23 68.8631 -42.3713 126.619 1.43244 -34.8969 81.5293 38.1654 -12.75 PRESSAVG: 2958200 -18.7412 -7.73639 45.285 -7.73633 4.11193 -9.28879 45.2851 -9.28877 18.4065 GPRESSAVG: 2958200 -19.1509 -5.96292 48.4618 -8.07112 4.80243 -8.73164 43.4764 -9.88749 17.5979 TIMING: 2958200 CPU: 8585.23, 0.00291377/step Wall: 8585.23, 0.00291377/step, 1.6526 hours remaining, 205.851562 MB of memory in use. ENERGY: 2958200 731.1504 2047.6371 1945.8876 117.3489 -205812.5359 17635.9318 0.0000 0.0000 34165.4796 -149169.1005 298.3756 -183334.5801 -149073.2493 299.6547 -109.0407 -75.5160 556960.4020 1.2591 1.0831 PRESSURE: 2958400 -174.018 -77.8978 179.318 -77.8977 -61.9354 212.129 179.318 212.128 -225.034 GPRESSURE: 2958400 -184.445 -15.6405 257.718 -164.195 -9.51528 238.462 95.4074 215.666 -169.258 PRESSAVG: 2958400 -49.512 1.1924 6.24304 1.19246 12.2436 85.4307 6.24303 85.4307 -2.54461 GPRESSAVG: 2958400 -48.9093 -0.0489132 4.31747 0.983662 10.9827 85.872 8.43435 84.8085 -1.83967 TIMING: 2958400 CPU: 8585.81, 0.00291851/step Wall: 8585.81, 0.00291851/step, 1.65512 hours remaining, 205.851562 MB of memory in use. ENERGY: 2958400 778.9556 2076.1659 1991.0062 119.8067 -205975.9552 17750.6381 0.0000 0.0000 34407.9680 -148851.4147 300.4933 -183259.3827 -148747.5550 300.0528 -153.6625 -121.0729 556883.6274 -13.2710 -13.2554 PRESSURE: 2958600 -45.633 -8.21823 -8.44595 -8.21841 253.576 -25.784 -8.44557 -25.7832 -234.98 GPRESSURE: 2958600 -37.3212 -19.0665 -0.473901 40.2178 292.242 23.7909 17.0403 -15.1867 -180.944 PRESSAVG: 2958600 -22.6226 -12.2164 15.9845 -12.2163 42.3706 52.0818 15.9844 52.0817 -38.4948 GPRESSAVG: 2958600 -21.5238 -12.4283 15.6623 -11.4026 42.4198 50.7455 17.1656 53.9687 -39.6344 TIMING: 2958600 CPU: 8586.39, 0.0028998/step Wall: 8586.39, 0.0028998/step, 1.64435 hours remaining, 205.851562 MB of memory in use. ENERGY: 2958600 781.7579 2131.4431 1956.1693 106.8346 -206232.1816 17760.9117 0.0000 0.0000 34546.6652 -148948.3997 301.7046 -183495.0650 -148852.7651 300.4537 -9.0121 24.6588 556517.4996 -6.2489 -6.2461 PRESSURE: 2958800 32.4472 65.4146 -32.0554 65.4153 85.6071 227.844 -32.0557 227.844 21.8963 GPRESSURE: 2958800 59.283 94.0907 -16.2447 -28.7077 153.848 184.417 7.83573 240.821 38.8323 PRESSAVG: 2958800 49.8801 -19.9242 14.061 -19.9241 19.1324 17.2776 14.0611 17.2776 -64.2103 GPRESSAVG: 2958800 48.1769 -19.5019 15.9991 -19.3598 19.715 15.9687 13.4927 18.8005 -62.8761 TIMING: 2958800 CPU: 8586.97, 0.00289115/step Wall: 8586.97, 0.00289115/step, 1.63928 hours remaining, 205.851562 MB of memory in use. ENERGY: 2958800 740.0974 2077.6640 1977.1578 118.5425 -205727.1935 17663.9739 0.0000 0.0000 34254.3175 -148895.4404 299.1515 -183149.7579 -148800.1260 300.1692 46.6502 83.9879 556564.2632 1.6007 1.6719 PRESSURE: 2959000 257.615 28.2661 109.968 28.2655 336.878 125.859 109.968 125.86 -87.4826 GPRESSURE: 2959000 327.608 89.3396 111.054 12.5714 332.337 117.366 99.373 93.2903 -68.2064 PRESSAVG: 2959000 50.2703 -23.866 -8.92196 -23.866 -35.3817 61.2682 -8.92203 61.2682 -38.2792 GPRESSAVG: 2959000 50.309 -23.343 -10.6039 -26.131 -36.0366 61.9832 -8.62402 60.1778 -37.2207 TIMING: 2959000 CPU: 8587.56, 0.00293543/step Wall: 8587.56, 0.00293543/step, 1.66423 hours remaining, 205.851562 MB of memory in use. ENERGY: 2959000 730.1225 2126.1992 1976.9462 97.6556 -206125.7565 17960.0385 0.0000 0.0000 34395.4423 -148839.3521 300.3840 -183234.7944 -148741.1396 299.9743 169.0034 197.2462 556910.5929 -7.7969 -7.6494 PRESSURE: 2959200 -83.8682 25.4897 48.4055 25.4904 232.133 -92.9913 48.4055 -92.9924 -111.434 GPRESSURE: 2959200 -58.6923 27.0447 32.0147 79.3346 294.331 -81.9395 52.0325 -95.7806 -111.222 PRESSAVG: 2959200 0.0647886 -45.1671 29.5881 -45.1672 56.9743 12.6864 29.5881 12.6862 -21.3152 GPRESSAVG: 2959200 0.0783302 -45.0043 31.0488 -45.7557 58.548 11.6993 29.234 12.6695 -23.075 TIMING: 2959200 CPU: 8588.14, 0.00291073/step Wall: 8588.14, 0.00291073/step, 1.65006 hours remaining, 205.851562 MB of memory in use. ENERGY: 2959200 722.4727 2083.8648 1966.1585 112.3529 -205963.4469 17937.1128 0.0000 0.0000 34328.4351 -148813.0500 299.7988 -183141.4852 -148714.8282 300.3285 12.2770 41.4722 558625.7035 11.9080 11.8504 PRESSURE: 2959400 -301.35 -14.7369 52.7143 -14.7376 -263.653 76.9163 52.7154 76.9164 -302.957 GPRESSURE: 2959400 -277.711 -130.266 121.252 -42.4979 -224.68 52.7202 53.9978 110.133 -265.617 PRESSAVG: 2959400 24.9858 -58.4006 -33.3948 -58.4005 16.1386 -12.8139 -33.3947 -12.814 3.1198 GPRESSAVG: 2959400 24.6404 -60.111 -34.4862 -56.9317 15.7971 -11.0002 -32.7847 -13.0668 4.25635 TIMING: 2959400 CPU: 8588.73, 0.00292907/step Wall: 8588.73, 0.00292907/step, 1.66029 hours remaining, 205.851562 MB of memory in use. ENERGY: 2959400 763.9791 2101.7680 1991.8148 119.2939 -205270.9142 17296.5981 0.0000 0.0000 34045.5652 -148951.8951 297.3284 -182997.4603 -148858.9316 299.8442 -289.3198 -256.0026 559240.5343 14.7481 14.8979 PRESSURE: 2959600 79.7311 26.6458 -9.42657 26.6451 -20.8808 244.882 -9.4258 244.881 -138.77 GPRESSURE: 2959600 121.402 125.154 0.768268 -12.9451 -7.65269 287.674 48.3426 224.999 -94.9768 PRESSAVG: 2959600 54.0444 16.241 -10.9775 16.2409 -37.6787 62.4016 -10.9775 62.4016 -30.2719 GPRESSAVG: 2959600 54.488 17.053 -10.5884 16.925 -37.217 60.9111 -12.5426 62.4535 -30.7317 TIMING: 2959600 CPU: 8589.31, 0.00293892/step Wall: 8589.31, 0.00293892/step, 1.66571 hours remaining, 205.851562 MB of memory in use. ENERGY: 2959600 753.4160 2100.4199 1965.9799 117.5585 -205950.1941 17874.4547 0.0000 0.0000 34224.2583 -148914.1068 298.8890 -183138.3651 -148819.8064 299.1377 -26.6398 6.2574 558937.4258 -4.6354 -4.4869 PRESSURE: 2959800 71.8894 39.0041 87.3946 39.0034 -53.3547 -57.9955 87.3952 -57.9937 241.154 GPRESSURE: 2959800 94.0816 -23.7042 108.822 -6.39152 -7.10685 -14.2443 69.9552 -98.741 255.23 PRESSAVG: 2959800 38.0521 6.00171 29.5919 6.00166 -26.396 22.1213 29.592 22.1214 2.9316 GPRESSAVG: 2959800 38.7101 5.55915 28.6853 6.66668 -26.5524 24.5136 32.4722 21.4327 2.64041 TIMING: 2959800 CPU: 8589.9, 0.00292904/step Wall: 8589.9, 0.00292904/step, 1.65995 hours remaining, 205.851562 MB of memory in use. ENERGY: 2959800 708.5504 2086.9695 1993.3251 102.5298 -206573.0867 18193.5709 0.0000 0.0000 34441.5435 -149046.5974 300.7866 -183488.1410 -148945.6457 300.7033 86.5628 114.0682 559175.4524 4.8625 4.9327 PRESSURE: 2960000 -76.9751 48.1859 43.2091 48.1862 -261.792 -5.07464 43.2092 -5.0754 33.6454 GPRESSURE: 2960000 -66.6895 35.1304 17.8657 57.8149 -201.513 -61.9918 -21.5137 -23.9963 69.341 PRESSAVG: 2960000 5.31417 7.97669 -10.5405 7.97667 11.8075 -12.4976 -10.5404 -12.4975 -27.1082 GPRESSAVG: 2960000 4.53183 9.09272 -10.598 7.10359 11.9157 -15.4899 -10.515 -10.7818 -26.5043 TIMING: 2960000 CPU: 8590.49, 0.00295315/step Wall: 8590.49, 0.00295315/step, 1.67345 hours remaining, 205.851562 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: 2960000 726.2079 2059.1612 1967.6667 119.1133 -205913.8972 17670.5562 0.0000 0.0000 34310.9227 -149060.2690 299.6458 -183371.1917 -148969.9727 300.3731 -101.7071 -66.2871 559627.3344 -3.3288 -3.3523 PRESSURE: 2960200 22.4868 165.028 102.18 165.027 -170.86 -205.253 102.179 -205.255 -196.588 GPRESSURE: 2960200 75.0541 137.869 125.638 146.357 -152.167 -233.584 86.7996 -167.548 -169.37 PRESSAVG: 2960200 76.564 -12.9636 3.78794 -12.9637 34.4541 -10.5203 3.78792 -10.5204 -71.4715 GPRESSAVG: 2960200 76.4713 -11.6524 5.982 -12.8611 34.2059 -9.61952 1.38088 -11.4204 -70.7925 TIMING: 2960200 CPU: 8591.08, 0.00293953/step Wall: 8591.08, 0.00293953/step, 1.66557 hours remaining, 205.851562 MB of memory in use. ENERGY: 2960200 755.1897 2128.1870 1971.9754 130.4338 -206186.1632 17795.1151 0.0000 0.0000 34249.4509 -149155.8112 299.1090 -183405.2622 -149062.0462 299.9247 -114.9872 -82.1609 558583.8114 13.1822 13.2949 LDB: ============= START OF LOAD BALANCING ============== 8594.55 LDB: ============== END OF LOAD BALANCING =============== 8594.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8594.55 LDB: ============= START OF LOAD BALANCING ============== 8594.84 LDB: Largest compute 4821 load 0.026724 is 22.7% of average load 0.117839 LDB: Average compute 0.001703 is 1.4% of average load 0.117839 LDB: TIME 8594.84 LOAD: AVG 0.117839 MAX 0.179565 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 8594.84 LOAD: AVG 0.117839 MAX 0.179565 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: TIME 8594.84 LOAD: AVG 0.117839 MAX 0.179565 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.168 MB LDB: ============== END OF LOAD BALANCING =============== 8594.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8594.85 PRESSURE: 2960400 163.944 -144.311 -69.1538 -144.311 246.654 66.0847 -69.1525 66.0861 13.4688 GPRESSURE: 2960400 234.632 -165.38 -45.1147 -155.693 244.504 -39.0275 10.8592 212.495 30.3894 PRESSAVG: 2960400 31.5233 -8.08785 58.8368 -8.08789 26.4447 -5.55392 58.8368 -5.55412 -26.9309 GPRESSAVG: 2960400 30.9977 -9.9305 55.7917 -8.50487 26.8456 -5.37575 59.0637 -5.29829 -26.942 TIMING: 2960400 CPU: 8591.67, 0.0029707/step Wall: 8591.67, 0.0029707/step, 1.68307 hours remaining, 206.429688 MB of memory in use. ENERGY: 2960400 771.1624 2134.7056 1959.1840 104.1845 -206732.7050 18238.2312 0.0000 0.0000 34283.7080 -149241.5293 299.4081 -183525.2373 -149142.3670 299.2469 141.3554 169.8419 557044.5150 10.3457 10.3004 PRESSURE: 2960600 -34.4944 66.1954 88.0717 66.1943 -227.003 43.4966 88.0711 43.4978 -114.705 GPRESSURE: 2960600 -14.0504 61.0366 40.9822 67.2196 -191.346 60.0826 156.572 -62.4554 -63.3904 PRESSAVG: 2960600 2.94479 -40.2125 6.72563 -40.2125 30.132 13.0515 6.72557 13.0516 -22.0555 GPRESSAVG: 2960600 3.56444 -41.3377 8.61374 -39.94 29.585 13.9965 7.328 11.5827 -22.0784 TIMING: 2960600 CPU: 8592.25, 0.00289537/step Wall: 8592.25, 0.00289537/step, 1.64023 hours remaining, 206.539062 MB of memory in use. ENERGY: 2960600 747.8690 2135.7545 1994.7742 115.9815 -206387.7298 17786.2345 0.0000 0.0000 34320.0253 -149287.0907 299.7253 -183607.1161 -149196.5220 298.6681 -125.4011 -89.5957 558126.2069 3.6738 3.6904 PRESSURE: 2960800 -98.0191 -115.019 105.885 -115.018 -74.6453 57.0496 105.886 57.048 -101.988 GPRESSURE: 2960800 -48.5288 -155.748 113.531 -71.0979 -66.3683 78.7661 135.122 52.6377 -52.9453 PRESSAVG: 2960800 0.433876 8.30556 -4.67572 8.30547 40.1956 23.8883 -4.67564 23.8884 -17.6459 GPRESSAVG: 2960800 -0.551399 9.62583 -3.47049 9.27289 41.1451 24.2812 -6.15795 24.221 -17.4263 TIMING: 2960800 CPU: 8592.83, 0.00287725/step Wall: 8592.83, 0.00287725/step, 1.6298 hours remaining, 206.539062 MB of memory in use. ENERGY: 2960800 743.3104 2095.6945 1956.5222 109.2065 -206368.7463 17931.5100 0.0000 0.0000 34222.0505 -149310.4521 298.8697 -183532.5026 -149217.1468 298.9111 -91.5509 -55.9475 558087.2655 7.6612 7.7225 PRESSURE: 2961000 297.369 27.2461 -124.563 27.2461 162.386 46.4763 -124.564 46.4766 162.336 GPRESSURE: 2961000 350.928 77.9453 -100.548 -24.8921 191.464 43.9576 -100.578 -28.4192 177.056 PRESSAVG: 2961000 18.0351 -31.4432 -10.6248 -31.4432 -49.7545 -4.15973 -10.6248 -4.15978 -16.6426 GPRESSAVG: 2961000 19.6081 -31.0199 -13.0114 -33.1262 -50.847 -5.19549 -9.94073 -3.03057 -17.3428 TIMING: 2961000 CPU: 8593.41, 0.00289778/step Wall: 8593.41, 0.00289778/step, 1.64127 hours remaining, 206.539062 MB of memory in use. ENERGY: 2961000 760.1362 2158.9993 1938.1089 107.1252 -207049.0881 18356.4278 0.0000 0.0000 34406.1363 -149322.1544 300.4773 -183728.2907 -149233.1626 298.7955 207.3637 239.8161 557184.2042 -16.1207 -16.1939 PRESSURE: 2961200 -93.0578 108.224 173.822 108.223 -37.7085 -50.5383 173.822 -50.5378 -84.0978 GPRESSURE: 2961200 -111.191 124.203 164.163 119.491 14.2657 0.737876 175.531 -55.0457 -27.2012 PRESSAVG: 2961200 -8.2631 30.5583 -58.5864 30.5584 8.75534 25.3193 -58.5865 25.3193 45.8997 GPRESSAVG: 2961200 -9.05143 31.3105 -57.6756 30.2474 10.0241 24.524 -57.7019 26.2269 45.0292 TIMING: 2961200 CPU: 8593.99, 0.00292137/step Wall: 8593.99, 0.00292137/step, 1.65447 hours remaining, 206.539062 MB of memory in use. ENERGY: 2961200 756.6153 2081.9447 1967.9226 121.7004 -206150.3753 17784.9546 0.0000 0.0000 34159.7073 -149277.5304 298.3252 -183437.2377 -149175.9916 298.6242 -71.6214 -41.3756 557867.5536 15.4640 15.3340 PRESSURE: 2961400 -76.1983 56.9522 46.1672 56.9516 -230.033 -51.7751 46.1671 -51.7763 -25.7235 GPRESSURE: 2961400 -2.9435 112.355 -0.841234 34.2297 -194.468 -19.5598 -12.1315 -37.5878 -35.5803 PRESSAVG: 2961400 -10.4895 -0.845704 0.60366 -0.845659 -32.7957 31.7352 0.603811 31.7351 -4.0303 GPRESSAVG: 2961400 -9.47107 -2.74741 -0.270881 2.43151 -33.2807 33.944 1.3536 31.6296 -3.56892 TIMING: 2961400 CPU: 8594.57, 0.00288231/step Wall: 8594.57, 0.00288231/step, 1.63219 hours remaining, 206.539062 MB of memory in use. ENERGY: 2961400 786.9360 2095.4184 1950.2179 127.0236 -205923.5113 17677.8791 0.0000 0.0000 34076.3020 -149209.7342 297.5968 -183286.0363 -149113.3668 298.6207 -110.6516 -77.6640 558423.6464 -15.7719 -15.4402 PRESSURE: 2961600 -70.3165 119.008 -48.3147 119.008 -226.194 34.8018 -48.3153 34.8021 -27.4079 GPRESSURE: 2961600 -27.582 78.8699 -50.8164 74.5666 -232.294 83.353 -29.896 4.41364 30.1494 PRESSAVG: 2961600 -29.3512 51.2656 22.8316 51.2655 -41.9117 -41.4762 22.8317 -41.4762 106.637 GPRESSAVG: 2961600 -27.5803 52.5169 21.3305 49.5895 -42.3883 -41.1247 23.8525 -42.5567 104.899 TIMING: 2961600 CPU: 8595.14, 0.00287301/step Wall: 8595.14, 0.00287301/step, 1.62676 hours remaining, 206.539062 MB of memory in use. ENERGY: 2961600 703.3555 2151.3366 1967.1241 124.3882 -205945.7055 17534.0114 0.0000 0.0000 34164.6390 -149300.8508 298.3683 -183465.4898 -149199.0298 298.9662 -107.9727 -76.5754 557731.4858 11.7912 11.6434 PRESSURE: 2961800 -67.1534 -80.4318 158.904 -80.4339 -108.781 76.2312 158.904 76.2306 -208.974 GPRESSURE: 2961800 -93.3417 -89.8807 252.545 -48.3714 -73.4831 28.7689 132.257 55.7097 -122.554 PRESSAVG: 2961800 -15.2489 -3.23203 -25.2891 -3.23203 -71.5177 9.96758 -25.2892 9.96756 84.4623 GPRESSAVG: 2961800 -16.8712 -5.21352 -23.0444 -4.35938 -70.8768 9.32193 -25.9098 9.56406 86.3667 TIMING: 2961800 CPU: 8595.72, 0.00289594/step Wall: 8595.72, 0.00289594/step, 1.63959 hours remaining, 206.832031 MB of memory in use. ENERGY: 2961800 727.3600 2092.0914 1926.3091 123.9767 -205893.4436 17534.0737 0.0000 0.0000 34126.2839 -149363.3487 298.0333 -183489.6326 -149268.7545 298.4939 -128.3028 -96.4594 558603.5637 -0.7681 -0.4604 PRESSURE: 2962000 -91.2846 124.616 158.936 124.617 65.1423 96.0875 158.937 96.0869 -141.629 GPRESSURE: 2962000 -74.2639 186.78 138.203 40.8607 120.401 111.029 179.426 92.6825 -122.037 PRESSAVG: 2962000 -87.0469 -28.751 38.4014 -28.7509 54.5736 -34.9926 38.4014 -34.9926 2.6285 GPRESSAVG: 2962000 -87.2791 -26.9628 39.2188 -28.5214 54.5079 -34.6809 36.0349 -33.8203 2.79227 TIMING: 2962000 CPU: 8596.3, 0.00287802/step Wall: 8596.3, 0.00287802/step, 1.62928 hours remaining, 206.832031 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: 2962000 744.4430 2119.1547 1980.6229 115.8831 -205800.1268 17652.2728 0.0000 0.0000 34103.9530 -149083.7973 297.8383 -183187.7503 -148983.9425 298.9295 -55.9239 -25.3001 558796.5770 -9.9483 -9.9930 PRESSURE: 2962200 -112.381 -63.9088 6.33471 -63.9086 -155.968 85.4273 6.33551 85.4288 -186.657 GPRESSURE: 2962200 -143.074 -160.331 -7.51325 -6.56736 -175.748 109.205 -21.0167 128.308 -48.2881 PRESSAVG: 2962200 2.34899 -9.45642 20.7748 -9.45645 -16.65 35.5807 20.7748 35.5808 5.97067 GPRESSAVG: 2962200 2.77548 -10.2276 17.1594 -9.26378 -17.1952 35.6126 21.9913 35.0511 6.47022 TIMING: 2962200 CPU: 8596.87, 0.00286835/step Wall: 8596.87, 0.00286835/step, 1.62364 hours remaining, 206.832031 MB of memory in use. ENERGY: 2962200 759.2763 2135.7895 1988.9506 108.4348 -206231.5717 17622.7496 0.0000 0.0000 34522.4190 -149093.9521 301.4929 -183616.3710 -148995.6350 298.7946 -151.6687 -122.3700 558582.4830 -2.7768 -2.6498 PRESSURE: 2962400 -93.4241 1.05157 107.971 1.05278 -162.492 -45.4659 107.97 -45.4666 175.145 GPRESSURE: 2962400 -51.7446 41.7846 74.7932 -6.39746 -93.9122 45.4437 113.526 -39.9244 151.515 PRESSAVG: 2962400 -88.4493 9.4958 36.2494 9.49578 8.78749 -1.86794 36.2494 -1.86789 111.816 GPRESSAVG: 2962400 -89.0078 10.9033 37.9224 8.35759 11.2768 -2.63292 35.677 -2.38028 110.124 TIMING: 2962400 CPU: 8597.45, 0.00289609/step Wall: 8597.45, 0.00289609/step, 1.63919 hours remaining, 206.832031 MB of memory in use. ENERGY: 2962400 766.2884 2132.3877 1986.9672 112.3480 -206124.2891 17731.2994 0.0000 0.0000 34271.6099 -149123.3886 299.3025 -183394.9985 -149027.9048 299.5585 -26.9237 1.9527 557043.4196 10.7180 10.7976 PRESSURE: 2962600 -83.0349 40.4432 78.7768 40.4441 -250.43 -22.4907 78.7767 -22.4903 79.0754 GPRESSURE: 2962600 -104.714 -6.02173 66.2619 70.0722 -171.205 -96.153 37.2875 25.7167 111.053 PRESSAVG: 2962600 8.35682 11.1662 44.0519 11.1662 26.5582 21.3231 44.052 21.3232 70.3138 GPRESSAVG: 2962600 8.86909 9.92377 44.5202 12.8373 25.2013 20.5876 46.444 20.76 71.0068 TIMING: 2962600 CPU: 8598.04, 0.00294562/step Wall: 8598.04, 0.00294562/step, 1.66706 hours remaining, 206.832031 MB of memory in use. ENERGY: 2962600 753.3695 2130.0206 1966.2952 118.1758 -205980.2141 17711.3521 0.0000 0.0000 34125.9954 -149175.0053 298.0308 -183301.0008 -149082.3020 300.0414 -84.7965 -54.9551 557302.7884 35.0763 35.0257 PRESSURE: 2962800 -178.328 142.117 -144.096 142.118 -5.73565 100.82 -144.098 100.818 -235.655 GPRESSURE: 2962800 -122.005 115.865 -112.544 120.263 21.2881 120.391 -139.122 55.2923 -211.329 PRESSAVG: 2962800 44.6189 14.669 17.1032 14.6688 23.3104 -15.3284 17.1033 -15.3285 -74.5142 GPRESSAVG: 2962800 44.817 15.4181 16.4292 11.544 22.5274 -15.7688 16.3534 -13.2826 -73.7119 TIMING: 2962800 CPU: 8598.61, 0.0028803/step Wall: 8598.61, 0.0028803/step, 1.62993 hours remaining, 206.832031 MB of memory in use. ENERGY: 2962800 764.6689 2026.0201 1961.7719 100.7842 -205989.9969 17803.4517 0.0000 0.0000 34124.5306 -149208.7695 298.0180 -183333.3001 -149115.5359 299.1052 -139.9063 -104.0152 558539.9649 -2.1950 -2.1225 PRESSURE: 2963000 -102.142 -70.466 -9.20504 -70.4659 -126.156 62.4957 -9.20547 62.4944 -61.0283 GPRESSURE: 2963000 -47.1524 -128.413 -55.1875 -90.4494 -85.3528 87.3707 9.22366 42.09 -62.3132 PRESSAVG: 2963000 35.7485 -23.9587 -7.09152 -23.9587 69.6256 -23.6668 -7.09163 -23.6667 -90.9397 GPRESSAVG: 2963000 36.2555 -23.5843 -6.29315 -20.9185 70.0797 -21.5826 -9.61622 -24.2159 -91.9962 TIMING: 2963000 CPU: 8599.19, 0.00287765/step Wall: 8599.19, 0.00287765/step, 1.62827 hours remaining, 206.832031 MB of memory in use. ENERGY: 2963000 800.1702 2061.2969 1976.1781 116.2471 -206257.2636 17855.4531 0.0000 0.0000 34195.3252 -149252.5930 298.6363 -183447.9182 -149158.2860 298.3771 -96.4420 -64.9395 556178.1553 4.8115 4.7796 PRESSURE: 2963200 172.819 11.3719 -51.7297 11.3721 12.3503 44.0194 -51.7289 44.0192 18.1591 GPRESSURE: 2963200 178.035 44.192 -24.1584 -48.4606 -1.47473 42.908 -55.07 61.7798 125.398 PRESSAVG: 2963200 32.2723 -22.3349 -79.571 -22.3349 7.60824 -47.5437 -79.5709 -47.5437 -36.6984 GPRESSAVG: 2963200 32.8022 -22.1764 -82.0044 -23.3911 8.34743 -48.0706 -76.7433 -47.4103 -37.7765 TIMING: 2963200 CPU: 8599.77, 0.0028885/step Wall: 8599.77, 0.0028885/step, 1.63425 hours remaining, 206.832031 MB of memory in use. ENERGY: 2963200 740.8030 2079.8686 1973.1004 108.8765 -206205.1722 17826.6498 0.0000 0.0000 34196.5304 -149279.3436 298.6468 -183475.8740 -149177.1876 299.0866 67.7763 100.6528 556846.7870 1.0607 1.1244 PRESSURE: 2963400 79.4308 -33.5833 1.51197 -33.5836 68.2267 56.7381 1.51218 56.7395 93.9687 GPRESSURE: 2963400 154.512 37.82 -25.0867 -85.1994 103.086 26.1263 54.032 52.1409 89.2674 PRESSAVG: 2963400 -8.45995 -79.4278 -22.723 -79.4277 99.1931 -16.3883 -22.7229 -16.3884 -19.2981 GPRESSAVG: 2963400 -10.0993 -78.0917 -21.2171 -78.0269 99.5006 -17.1058 -24.8286 -17.4388 -18.4347 TIMING: 2963400 CPU: 8600.35, 0.00289652/step Wall: 8600.35, 0.00289652/step, 1.63863 hours remaining, 206.832031 MB of memory in use. ENERGY: 2963400 742.0335 2047.1998 1963.3020 110.6061 -206764.1644 18040.8342 0.0000 0.0000 34293.5994 -149566.5894 299.4945 -183860.1887 -149474.0993 298.9135 80.5421 115.6219 556198.1377 23.8117 23.6555 PRESSURE: 2963600 -54.5381 -0.23579 -225.467 -0.235894 -247.393 165.821 -225.466 165.822 -71.6501 GPRESSURE: 2963600 -45.983 -8.99402 -255.515 2.71839 -189.869 112.494 -225.806 218.908 -61.4214 PRESSAVG: 2963600 18.1341 -25.8195 -19.2053 -25.8195 -24.5151 21.7804 -19.2053 21.7804 -17.7743 GPRESSAVG: 2963600 17.9562 -26.2447 -20.0372 -25.0341 -24.1199 19.2642 -16.9988 23.6447 -18.2903 TIMING: 2963600 CPU: 8600.92, 0.00288579/step Wall: 8600.92, 0.00288579/step, 1.6324 hours remaining, 206.832031 MB of memory in use. ENERGY: 2963600 751.2293 2120.6456 1972.6382 124.7265 -206080.7555 17622.8622 0.0000 0.0000 34104.7663 -149383.8873 297.8454 -183488.6536 -149287.6771 298.7762 -124.5270 -99.0911 559758.4538 -8.0518 -8.1513 PRESSURE: 2963800 170.229 21.3771 32.3245 21.3773 237.366 126.626 32.3231 126.628 41.5397 GPRESSURE: 2963800 228.704 76.6018 5.81544 1.77134 266.804 166.543 0.48239 70.5854 32.0378 PRESSAVG: 2963800 15.9 -7.87512 -11.9678 -7.87506 10.2133 21.9345 -11.9677 21.9346 -24.9427 GPRESSAVG: 2963800 15.4777 -6.30089 -11.3794 -11.1719 9.61567 23.8912 -13.5179 20.0764 -23.9654 TIMING: 2963800 CPU: 8601.5, 0.00288911/step Wall: 8601.5, 0.00288911/step, 1.63411 hours remaining, 206.832031 MB of memory in use. ENERGY: 2963800 749.4888 2045.4571 1938.9472 106.9891 -206479.1445 18085.8186 0.0000 0.0000 34218.6439 -149333.7998 298.8399 -183552.4437 -149234.2898 298.9858 149.7113 175.8487 558617.8232 0.3902 0.3760 PRESSURE: 2964000 -152.982 76.6069 58.7339 76.6078 -203.441 107.318 58.7343 107.321 -137.583 GPRESSURE: 2964000 -29.2304 125.429 53.1372 4.84117 -219.791 178.102 61.7009 -8.09386 -151.58 PRESSAVG: 2964000 30.9432 -47.7024 -15.6059 -47.7023 -50.8236 8.13617 -15.6059 8.1362 6.6085 GPRESSAVG: 2964000 31.1674 -47.4205 -15.3319 -47.7034 -49.6626 8.93514 -14.4872 8.74912 5.19433 TIMING: 2964000 CPU: 8602.08, 0.00290671/step Wall: 8602.08, 0.00290671/step, 1.64391 hours remaining, 206.832031 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: 2964000 760.4811 2144.4558 1958.2528 109.6023 -206096.8716 17605.1224 0.0000 0.0000 34247.4380 -149271.5191 299.0914 -183518.9571 -149175.3882 298.9055 -164.6687 -133.5340 557664.5152 -4.4240 -4.4336 PRESSURE: 2964200 -154.392 18.9043 -95.6764 18.9047 41.7588 -33.5769 -95.6759 -33.5764 -30.4531 GPRESSURE: 2964200 -133.854 66.2581 -101.832 -18.4661 104.429 -58.1461 -94.8787 -7.37256 -31.3376 PRESSAVG: 2964200 -0.715568 24.8301 -14.9029 24.83 -57.9774 -40.1184 -14.9028 -40.1184 29.7417 GPRESSAVG: 2964200 0.102682 21.7962 -12.0618 27.2218 -59.2639 -41.0635 -16.839 -40.4052 30.4013 TIMING: 2964200 CPU: 8602.67, 0.00292061/step Wall: 8602.67, 0.00292061/step, 1.6516 hours remaining, 206.832031 MB of memory in use. ENERGY: 2964200 737.7058 2061.2118 1945.4694 111.3540 -206404.6042 17817.6272 0.0000 0.0000 34263.0787 -149468.1573 299.2280 -183731.2360 -149373.2429 298.8880 -47.6953 -20.2545 557182.4142 -9.6504 -9.5866 LDB: ============= START OF LOAD BALANCING ============== 8606.13 LDB: ============== END OF LOAD BALANCING =============== 8606.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8606.14 LDB: ============= START OF LOAD BALANCING ============== 8606.43 LDB: Largest compute 4820 load 0.026662 is 22.6% of average load 0.117748 LDB: Average compute 0.001714 is 1.5% of average load 0.117748 LDB: TIME 8606.43 LOAD: AVG 0.117748 MAX 0.17849 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 8606.43 LOAD: AVG 0.117748 MAX 0.17849 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: TIME 8606.43 LOAD: AVG 0.117748 MAX 0.17849 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8606.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8606.44 PRESSURE: 2964400 -229.703 -109.704 5.4975 -109.705 -408.052 -13.0916 5.49856 -13.0896 -365.583 GPRESSURE: 2964400 -176.046 -79.1186 114.494 -107.014 -352.101 33.6283 -38.3682 27.3472 -382.034 PRESSAVG: 2964400 -46.2684 -25.6217 2.47725 -25.6216 -23.45 -28.9884 2.47721 -28.9884 55.294 GPRESSAVG: 2964400 -45.6871 -26.4493 0.132713 -26.7762 -23.1535 -28.4786 3.31809 -26.9951 54.4984 TIMING: 2964400 CPU: 8603.26, 0.00296808/step Wall: 8603.26, 0.00296808/step, 1.67828 hours remaining, 205.949219 MB of memory in use. ENERGY: 2964400 753.3195 2134.3631 1973.2123 93.6672 -205922.2267 17495.5892 0.0000 0.0000 34252.0395 -149220.0359 299.1316 -183472.0754 -149123.0876 298.8267 -334.4459 -303.3938 558092.6069 -4.8081 -4.7808 PRESSURE: 2964600 52.7339 17.2846 -22.009 17.2837 135.586 -55.1289 -22.0098 -55.1277 162.705 GPRESSURE: 2964600 68.4106 36.7507 -11.893 41.4947 183.762 14.5475 -35.7156 -125.466 192.443 PRESSAVG: 2964600 -88.0122 58.7694 -25.9562 58.7694 43.8295 -30.7824 -25.9562 -30.7826 58.6579 GPRESSAVG: 2964600 -89.4423 60.8018 -25.2038 59.2802 43.7905 -29.9372 -24.318 -33.7251 59.645 TIMING: 2964600 CPU: 8603.84, 0.00291225/step Wall: 8603.84, 0.00291225/step, 1.64655 hours remaining, 206.152344 MB of memory in use. ENERGY: 2964600 775.8012 2103.6327 1965.9662 106.1576 -206591.6405 18088.2410 0.0000 0.0000 34390.9762 -149160.8657 300.3449 -183551.8419 -149066.5315 300.2487 117.0083 148.2053 555468.0880 4.8251 4.6644 PRESSURE: 2964800 -60.2085 -42.1377 -103.294 -42.1382 80.7552 156.554 -103.293 156.554 -35.8792 GPRESSURE: 2964800 -28.6229 -55.7581 -96.2776 19.0131 86.7079 71.8056 -108.345 205.141 21.2653 PRESSAVG: 2964800 34.1145 -13.941 -56.9427 -13.9411 -20.5012 20.5404 -56.9427 20.5404 27.1256 GPRESSAVG: 2964800 34.5718 -15.5775 -57.0692 -12.9856 -20.1251 20.2968 -56.5047 22.4975 26.3459 TIMING: 2964800 CPU: 8604.42, 0.00290138/step Wall: 8604.42, 0.00290138/step, 1.64024 hours remaining, 206.152344 MB of memory in use. ENERGY: 2964800 739.8926 2098.4201 1954.5166 112.0102 -206386.1503 17862.1966 0.0000 0.0000 34317.1739 -149301.9402 299.7004 -183619.1141 -149207.7735 299.5942 -5.1108 26.4501 556052.4871 13.5796 13.5975 PRESSURE: 2965000 -228.63 129.359 -18.8725 129.358 -59.3711 98.0666 -18.8727 98.0663 -58.5872 GPRESSURE: 2965000 -172.775 123.921 -98.7153 149.251 -0.704481 179.085 106.059 61.4476 -77.2055 PRESSAVG: 2965000 -33.7096 29.7199 -33.1783 29.7198 59.3926 35.6905 -33.1783 35.6905 -81.7326 GPRESSAVG: 2965000 -34.132 30.6655 -31.6443 27.0026 59.3662 34.2556 -35.1415 35.9826 -81.8924 TIMING: 2965000 CPU: 8605, 0.00289387/step Wall: 8605, 0.00289387/step, 1.63584 hours remaining, 206.222656 MB of memory in use. ENERGY: 2965000 755.5471 2087.2601 1939.8944 116.6625 -205880.1566 17597.8670 0.0000 0.0000 34199.4252 -149183.5003 298.6721 -183382.9255 -149085.8198 299.1171 -115.5295 -83.5616 556997.7141 -18.6832 -18.8860 PRESSURE: 2965200 -241.666 4.73188 -101.84 4.73137 -55.7339 -0.208157 -101.838 -0.206852 16.2266 GPRESSURE: 2965200 -206.614 0.266802 -98.1961 16.5083 -63.4489 131.301 -156.547 -88.294 100.179 PRESSAVG: 2965200 -38.4045 51.8437 -75.7981 51.8437 21.1015 70.8809 -75.7981 70.8809 -1.03116 GPRESSAVG: 2965200 -37.8944 50.0926 -74.5107 55.122 20.122 71.1711 -75.8102 70.4267 -0.563302 TIMING: 2965200 CPU: 8605.58, 0.00288309/step Wall: 8605.58, 0.00288309/step, 1.62959 hours remaining, 206.222656 MB of memory in use. ENERGY: 2965200 788.6494 2103.7200 1961.7358 116.1753 -206150.9495 17672.5259 0.0000 0.0000 34292.7900 -149215.3531 299.4875 -183508.1431 -149120.5531 298.7156 -93.7244 -56.6280 556634.6059 -6.1114 -6.1119 PRESSURE: 2965400 -92.7224 205.924 -108.725 205.923 306.614 99.142 -108.724 99.1417 21.9444 GPRESSURE: 2965400 -55.4467 136.419 -78.9362 275.437 350.27 62.6364 -166.569 131.875 32.8955 PRESSAVG: 2965400 11.9167 31.0483 -54.0357 31.0483 20.6453 8.15189 -54.0356 8.1518 -12.6127 GPRESSAVG: 2965400 11.7436 32.987 -57.2337 29.4415 20.6529 7.80657 -51.9899 7.80691 -12.3598 TIMING: 2965400 CPU: 8606.15, 0.00288062/step Wall: 8606.15, 0.00288062/step, 1.62803 hours remaining, 206.222656 MB of memory in use. ENERGY: 2965400 758.9278 2097.5695 1968.9762 116.6398 -206305.2673 17848.6959 0.0000 0.0000 34373.5016 -149140.9565 300.1923 -183514.4581 -149047.5376 299.2051 78.6122 109.2397 556115.9532 6.6497 6.6789 PRESSURE: 2965600 43.3599 24.1582 -187.934 24.1588 -195.838 39.3594 -187.934 39.3589 -180.467 GPRESSURE: 2965600 55.9282 -10.4796 -122.48 102.212 -156.447 70.3401 -222.751 0.866462 -121.743 PRESSAVG: 2965600 -10.6026 54.593 -46.4773 54.5931 52.7191 12.1608 -46.4774 12.1609 -46.9646 GPRESSAVG: 2965600 -10.4325 56.4116 -46.4689 54.7061 53.9895 12.9614 -46.874 10.2166 -47.8984 TIMING: 2965600 CPU: 8606.74, 0.00290362/step Wall: 8606.74, 0.00290362/step, 1.64087 hours remaining, 206.222656 MB of memory in use. ENERGY: 2965600 719.3878 2122.5906 1947.9064 114.1925 -206096.1884 17621.1673 0.0000 0.0000 34446.8683 -149124.0755 300.8331 -183570.9438 -149027.5208 299.3935 -110.9816 -74.0872 557465.9439 -1.6160 -1.4472 PRESSURE: 2965800 -146.095 112.594 250.161 112.596 -114.02 -17.965 250.161 -17.9649 -61.5934 GPRESSURE: 2965800 -152.103 105.485 244.272 78.8433 -80.7494 28.9808 166.18 -54.8518 12.9262 PRESSAVG: 2965800 29.9139 46.9178 -41.4348 46.9179 -86.6609 63.9029 -41.4348 63.903 86.695 GPRESSAVG: 2965800 29.198 45.547 -39.4428 48.1559 -87.1943 63.1666 -42.0677 67.0311 87.3224 TIMING: 2965800 CPU: 8607.32, 0.00290188/step Wall: 8607.32, 0.00290188/step, 1.63972 hours remaining, 206.222656 MB of memory in use. ENERGY: 2965800 763.7840 2129.1934 1974.7671 115.2408 -205890.8743 17530.8028 0.0000 0.0000 34599.4030 -148777.6832 302.1652 -183377.0862 -148685.7410 300.4058 -107.2363 -73.3086 558902.0708 9.9827 9.7754 PRESSURE: 2966000 -5.83508 136.38 160.579 136.381 18.8919 194.658 160.579 194.657 -265.523 GPRESSURE: 2966000 56.9077 258.081 220.003 42.6213 29.1175 218.153 152.14 52.167 -239.024 PRESSAVG: 2966000 39.1804 40.2473 9.00707 40.2473 -28.1958 5.86743 9.00708 5.86742 -13.4293 GPRESSAVG: 2966000 41.2389 40.652 7.81483 38.7157 -28.7957 8.14995 10.7454 4.55419 -14.6644 TIMING: 2966000 CPU: 8607.89, 0.00289295/step Wall: 8607.89, 0.00289295/step, 1.63451 hours remaining, 206.222656 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: 2966000 755.0899 2079.7466 1955.7136 120.1214 -205750.5369 17635.8651 0.0000 0.0000 34284.6968 -148919.3036 299.4168 -183204.0004 -148822.8259 300.2128 -84.1552 -50.9997 557841.7101 -0.8149 -0.7404 PRESSURE: 2966200 -203.189 230.375 -19.5158 230.374 99.1775 121.99 -19.5154 121.99 246.395 GPRESSURE: 2966200 -84.909 195.074 -0.0545014 243.303 100.653 135.267 -93.275 199.865 222.171 PRESSAVG: 2966200 14.3813 -8.04313 -29.8918 -8.04317 15.42 49.1702 -29.8918 49.1701 -19.3419 GPRESSAVG: 2966200 13.0704 -6.64828 -30.8874 -7.2774 15.3391 47.5774 -30.9109 49.6467 -18.3853 TIMING: 2966200 CPU: 8608.48, 0.00291497/step Wall: 8608.48, 0.00291497/step, 1.6468 hours remaining, 206.222656 MB of memory in use. ENERGY: 2966200 724.6416 2026.2444 1958.0280 119.2917 -206488.8060 17922.7917 0.0000 0.0000 34602.9261 -149134.8825 302.1960 -183737.8086 -149039.8243 299.2934 47.4613 79.3050 556599.8118 3.4865 3.3414 PRESSURE: 2966400 68.6902 -115.034 49.4816 -115.034 111.628 45.9828 49.4813 45.9836 95.1605 GPRESSURE: 2966400 110.034 -154.199 159.926 -71.6116 108.531 80.4696 -18.7643 19.7727 141.403 PRESSAVG: 2966400 -42.6833 50.6545 -25.1531 50.6544 -7.8898 40.5219 -25.1532 40.5219 27.8784 GPRESSAVG: 2966400 -44.7551 48.2386 -23.6473 52.1338 -7.29903 39.6961 -25.9824 41.3314 29.3701 TIMING: 2966400 CPU: 8609.06, 0.00292367/step Wall: 8609.06, 0.00292367/step, 1.65155 hours remaining, 206.222656 MB of memory in use. ENERGY: 2966400 732.2439 2078.0243 1986.0137 117.2411 -206113.6817 17764.1644 0.0000 0.0000 34092.5251 -149343.4693 297.7385 -183435.9944 -149249.8804 299.5499 91.8261 119.9892 556657.1106 -7.5649 -7.5614 PRESSURE: 2966600 -122.038 93.2916 71.0166 93.2912 -155.43 -47.3252 71.0166 -47.3248 -382.77 GPRESSURE: 2966600 -90.7196 3.44177 114.536 45.4404 -125.176 16.798 38.5389 -101.693 -353.127 PRESSAVG: 2966600 41.3671 3.36428 -14.9021 3.36428 -14.5259 -32.5767 -14.902 -32.5767 -18.4274 GPRESSAVG: 2966600 42.1338 3.72544 -15.7425 1.20129 -14.6223 -31.688 -13.5181 -32.2337 -18.9265 TIMING: 2966600 CPU: 8609.64, 0.00290255/step Wall: 8609.64, 0.00290255/step, 1.63946 hours remaining, 206.222656 MB of memory in use. ENERGY: 2966600 763.2382 2103.6139 1968.3444 118.3517 -205881.3297 17534.5756 0.0000 0.0000 34149.3349 -149243.8710 298.2346 -183393.2059 -149154.0726 298.8209 -220.0794 -189.6741 559099.6276 2.8046 2.8617 PRESSURE: 2966800 167.936 -67.7871 -19.0165 -67.7873 -234.879 -41.9166 -19.0152 -41.9166 -26.3519 GPRESSURE: 2966800 228.018 -22.1676 35.1821 -67.5823 -207.567 -74.6328 -36.4179 -68.7745 -21.1596 PRESSAVG: 2966800 35.992 9.58803 -37.8254 9.58793 -69.9942 -28.7207 -37.8254 -28.7207 24.2858 GPRESSAVG: 2966800 38.2326 11.4556 -37.5243 10.354 -70.7469 -27.1127 -39.3577 -30.6483 22.9179 TIMING: 2966800 CPU: 8610.22, 0.00289571/step Wall: 8610.22, 0.00289571/step, 1.63543 hours remaining, 206.222656 MB of memory in use. ENERGY: 2966800 757.4144 2120.8300 1952.6783 125.6677 -206238.4895 17876.2929 0.0000 0.0000 34141.2860 -149264.3203 298.1643 -183405.6062 -149168.9844 299.0041 -31.0982 -0.2363 557020.3102 -3.2388 -3.1988 PRESSURE: 2967000 180.449 -11.3959 -148.055 -11.3954 -48.0834 75.6292 -148.054 75.6281 -10.1534 GPRESSURE: 2967000 254.62 -39.2616 -87.6932 28.2497 -3.34429 -12.9735 -238.32 130.535 -12.9292 PRESSAVG: 2967000 69.0008 -29.4719 -16.8539 -29.4719 -69.9755 1.33784 -16.854 1.33779 25.1566 GPRESSAVG: 2967000 67.8467 -30.6391 -17.8333 -28.5896 -68.5538 1.36908 -16.1238 2.39527 24.7456 TIMING: 2967000 CPU: 8610.8, 0.0029103/step Wall: 8610.8, 0.0029103/step, 1.64351 hours remaining, 206.222656 MB of memory in use. ENERGY: 2967000 775.0122 2142.3993 1952.6517 117.6373 -206673.5966 17903.7398 0.0000 0.0000 34259.9452 -149522.2111 299.2006 -183782.1563 -149425.8422 298.5942 40.7373 79.4489 556163.1794 8.0606 8.0128 PRESSURE: 2967200 -135.383 -14.7027 114.554 -14.7019 -343.191 28.9191 114.554 28.9202 -122.946 GPRESSURE: 2967200 -100.97 14.8896 27.8627 -43.7974 -279.415 -64.999 178.688 95.2996 -135.934 PRESSAVG: 2967200 30.5518 16.0302 -12.8902 16.0302 -27.5693 -28.2916 -12.8901 -28.2916 18.4543 GPRESSAVG: 2967200 30.2149 15.4689 -9.76275 15.5413 -28.0781 -29.211 -14.1708 -28.2994 19.464 TIMING: 2967200 CPU: 8611.39, 0.00291373/step Wall: 8611.39, 0.00291373/step, 1.64528 hours remaining, 206.222656 MB of memory in use. ENERGY: 2967200 763.9556 2032.3902 1953.5446 112.9565 -206421.9371 17760.1457 0.0000 0.0000 34230.6949 -149568.2496 298.9452 -183798.9445 -149464.1825 298.0492 -200.5065 -172.1062 557639.1898 7.1456 7.2003 PRESSURE: 2967400 57.515 57.2546 -245.498 57.2547 55.7918 55.0449 -245.499 55.045 -230.764 GPRESSURE: 2967400 62.7793 39.9735 -255.632 79.3723 117.737 61.9484 -202.039 53.0071 -198.59 PRESSAVG: 2967400 -27.1131 -6.35187 -60.3925 -6.35184 -43.759 -40.7709 -60.3925 -40.771 26.5006 GPRESSAVG: 2967400 -26.4524 -3.7414 -62.3992 -7.03692 -44.113 -39.6511 -60.6897 -40.6118 26.5916 TIMING: 2967400 CPU: 8611.97, 0.0029033/step Wall: 8611.97, 0.0029033/step, 1.63924 hours remaining, 206.222656 MB of memory in use. ENERGY: 2967400 770.6889 2088.5559 1966.8624 108.7994 -206705.4542 18014.0621 0.0000 0.0000 34220.1113 -149536.3742 298.8527 -183756.4855 -149436.6448 297.8825 -39.1524 -6.0246 557256.3290 -14.7905 -14.6579 PRESSURE: 2967600 146.672 133.806 47.526 133.806 126.789 53.8479 47.5268 53.8477 60.9624 GPRESSURE: 2967600 221.01 114.768 67.2849 195.997 101.276 36.384 -0.864912 66.2366 113.39 PRESSAVG: 2967600 11.5735 10.5365 -31.9805 10.5366 -24.1112 -36.0437 -31.9804 -36.0437 -5.34965 GPRESSAVG: 2967600 12.8421 7.56827 -32.3455 10.4978 -24.9564 -35.6663 -31.9364 -36.4673 -5.81487 TIMING: 2967600 CPU: 8612.55, 0.00290887/step Wall: 8612.55, 0.00290887/step, 1.64222 hours remaining, 206.222656 MB of memory in use. ENERGY: 2967600 760.4644 2058.6127 1939.4854 111.8508 -206541.2557 18095.7815 0.0000 0.0000 34115.4014 -149459.6595 297.9383 -183575.0609 -149360.3767 298.9284 111.4745 145.2252 557249.1668 -5.9624 -5.9764 PRESSURE: 2967800 -17.722 128.198 -89.7795 128.197 35.5137 -219.948 -89.7786 -219.947 146.679 GPRESSURE: 2967800 4.57869 95.3233 -67.3053 167.988 84.389 -139.325 -93.1294 -260.018 177.748 PRESSAVG: 2967800 -60.7386 5.16481 -34.7694 5.16485 39.2375 -27.0932 -34.7695 -27.0932 20.6231 GPRESSAVG: 2967800 -62.2083 6.58713 -33.924 3.74461 41.1418 -28.4598 -33.2491 -25.954 20.6702 TIMING: 2967800 CPU: 8613.13, 0.00290941/step Wall: 8613.13, 0.0029094/step, 1.64236 hours remaining, 206.222656 MB of memory in use. ENERGY: 2967800 691.0609 2104.4201 1972.9248 116.4860 -206269.6328 17860.9402 0.0000 0.0000 34031.8085 -149491.9923 297.2082 -183523.8008 -149394.5846 297.9941 54.8235 88.9051 557389.2292 -0.2927 -0.1321 PRESSURE: 2968000 -317.029 152.391 -59.4594 152.392 305.03 1.52737 -59.4597 1.52705 5.57381 GPRESSURE: 2968000 -340.602 108.073 -94.2102 170.361 353.636 -78.9033 -55.0001 50.6627 73.1319 PRESSAVG: 2968000 -62.2875 38.1365 -73.0741 38.1366 24.5236 -26.128 -73.074 -26.128 55.7338 GPRESSAVG: 2968000 -62.1635 36.3734 -73.2799 41.1592 24.4699 -24.8917 -73.6526 -26.1082 56.0138 TIMING: 2968000 CPU: 8613.72, 0.0029284/step Wall: 8613.72, 0.0029284/step, 1.65292 hours remaining, 206.222656 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: 2968000 732.1072 2087.1494 1982.7603 112.5446 -206294.5431 17852.8314 0.0000 0.0000 34226.2422 -149300.9081 298.9063 -183527.1503 -149195.9418 297.5010 -2.1417 28.7220 557967.2414 5.9900 6.1067 PRESSURE: 2968200 -39.7081 12.7702 44.4904 12.7694 -277.237 -90.2893 44.4901 -90.288 -36.5959 GPRESSURE: 2968200 -5.08268 -10.9649 15.0892 44.9365 -231.109 -64.0611 31.6622 -105.849 -16.8129 PRESSAVG: 2968200 27.0163 -3.2778 -61.9143 -3.27788 -5.29466 4.06443 -61.9144 4.06439 -22.4191 GPRESSAVG: 2968200 27.6014 0.466071 -64.0416 -7.93303 -5.83862 3.99853 -61.3246 3.65993 -22.4442 TIMING: 2968200 CPU: 8614.3, 0.00291662/step Wall: 8614.3, 0.00291662/step, 1.64611 hours remaining, 206.222656 MB of memory in use. ENERGY: 2968200 738.7136 2109.5533 1931.6475 113.7239 -206178.0572 17751.8200 0.0000 0.0000 34219.6709 -149312.9279 298.8489 -183532.5988 -149225.1824 298.1418 -117.8468 -84.3350 557163.3112 -0.2325 -0.2271 LDB: ============= START OF LOAD BALANCING ============== 8617.77 LDB: ============== END OF LOAD BALANCING =============== 8617.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8617.77 LDB: ============= START OF LOAD BALANCING ============== 8618.06 LDB: Largest compute 4848 load 0.028169 is 23.9% of average load 0.117787 LDB: Average compute 0.001716 is 1.5% of average load 0.117787 LDB: TIME 8618.07 LOAD: AVG 0.117787 MAX 0.178848 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 8618.07 LOAD: AVG 0.117787 MAX 0.178848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: TIME 8618.07 LOAD: AVG 0.117787 MAX 0.178848 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8618.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8618.07 PRESSURE: 2968400 -95.1184 -78.4639 6.50421 -78.4625 -17.2542 -134.364 6.50324 -134.363 68.2574 GPRESSURE: 2968400 -72.215 16.9908 88.9859 -128.201 -10.7814 -129.754 1.43314 -68.4382 126.064 PRESSAVG: 2968400 1.24174 3.41557 25.0795 3.41566 11.4327 32.0027 25.0795 32.0029 5.11405 GPRESSAVG: 2968400 1.42662 2.59237 29.2942 7.81281 12.0361 31.5984 22.5394 32.162 4.27424 TIMING: 2968400 CPU: 8614.9, 0.00298878/step Wall: 8614.9, 0.00298878/step, 1.68667 hours remaining, 207.488281 MB of memory in use. ENERGY: 2968400 769.6051 2059.3891 1964.6527 105.4357 -206024.2640 17765.3976 0.0000 0.0000 34178.2403 -149181.5436 298.4871 -183359.7839 -149082.9430 299.5254 -14.7051 14.3557 557135.2477 5.9295 5.9123 PRESSURE: 2968600 70.8686 64.6932 -75.8077 64.6916 -50.4467 114.606 -75.8086 114.606 -98.2304 GPRESSURE: 2968600 83.8669 108.66 -79.4904 72.7111 -29.2844 54.0239 -43.3496 162.556 -28.7181 PRESSAVG: 2968600 -42.3221 15.8942 10.7637 15.8943 -3.31379 -6.04735 10.7637 -6.04736 94.5199 GPRESSAVG: 2968600 -42.2836 15.6463 8.54429 15.3716 -3.74368 -6.73873 13.1807 -5.72809 94.7584 TIMING: 2968600 CPU: 8615.48, 0.00291789/step Wall: 8615.48, 0.00291789/step, 1.6465 hours remaining, 207.558594 MB of memory in use. ENERGY: 2968600 741.3816 2129.8853 1972.4466 113.5972 -206005.9387 17695.8268 0.0000 0.0000 34352.6338 -149000.1674 300.0101 -183352.8012 -148902.8483 299.2934 -25.9361 8.6215 557827.5043 16.2947 16.2437 PRESSURE: 2968800 206.472 -18.2756 -197.521 -18.2751 170.91 -45.113 -197.521 -45.1145 -26.2179 GPRESSURE: 2968800 257.785 -50.1857 -145.509 -16.2851 213.812 -24.0837 -168.535 -28.2504 -19.0186 PRESSAVG: 2968800 66.1598 42.657 -27.0515 42.657 -53.2738 6.32869 -27.0515 6.32879 -7.10088 GPRESSAVG: 2968800 65.2165 41.0437 -29.0056 43.3017 -52.3427 6.45917 -25.7522 5.87105 -6.74227 TIMING: 2968800 CPU: 8616.06, 0.0028998/step Wall: 8616.06, 0.0028998/step, 1.63613 hours remaining, 207.753906 MB of memory in use. ENERGY: 2968800 781.2800 2038.4971 2010.8793 121.5008 -206431.4417 18035.6880 0.0000 0.0000 34282.8139 -149160.7827 299.4003 -183443.5966 -149063.1724 299.7357 117.0547 150.8593 557991.8168 1.9284 2.0438 PRESSURE: 2969000 146.935 268.138 -78.86 268.139 301.269 87.2214 -78.861 87.2243 146.91 GPRESSURE: 2969000 175.014 216.874 8.07781 203.002 391.895 -12.3089 -207.988 60.5714 113.59 PRESSAVG: 2969000 5.27842 -19.3233 18.6501 -19.3232 13.3136 -10.9545 18.6501 -10.9545 3.08789 GPRESSAVG: 2969000 6.01204 -17.7858 21.0055 -20.8727 13.3277 -11.7153 15.6914 -11.8823 2.13755 TIMING: 2969000 CPU: 8616.64, 0.00291479/step Wall: 8616.64, 0.00291479/step, 1.64443 hours remaining, 207.753906 MB of memory in use. ENERGY: 2969000 747.6385 2143.4612 1951.7698 120.3095 -206897.4764 18288.3459 0.0000 0.0000 34359.6782 -149286.2733 300.0716 -183645.9515 -149196.8400 299.2970 198.3711 226.8329 558493.8455 7.2266 7.1591 PRESSURE: 2969200 84.2863 -39.5151 -43.1072 -39.5166 50.4359 143.077 -43.1075 143.077 104.767 GPRESSURE: 2969200 89.9037 -76.224 -73.5554 -10.2766 123.512 166.105 -36.3306 96.9197 127.936 PRESSAVG: 2969200 -11.3843 34.7141 5.32315 34.7141 57.7463 -26.0002 5.32314 -26.0002 -58.2219 GPRESSAVG: 2969200 -11.6114 33.1572 6.86201 38.0631 57.5806 -25.2532 6.51161 -26.2033 -58.2075 TIMING: 2969200 CPU: 8617.22, 0.00290096/step Wall: 8617.22, 0.00290096/step, 1.63646 hours remaining, 207.812500 MB of memory in use. ENERGY: 2969200 703.5703 2121.2875 1957.5445 124.6005 -206513.1860 18036.9568 0.0000 0.0000 34217.4349 -149351.7915 298.8294 -183569.2265 -149253.7180 299.6527 79.8297 113.7840 557315.9888 -3.9533 -4.0795 PRESSURE: 2969400 26.1099 99.362 121.491 99.3631 -206.195 -191.973 121.491 -191.973 -161.25 GPRESSURE: 2969400 73.1272 74.0657 179.832 107.974 -155.658 -142.879 74.1427 -261.888 -161.585 PRESSAVG: 2969400 -2.50373 24.3218 -24.5649 24.3219 -30.7754 39.047 -24.5649 39.0469 19.7801 GPRESSAVG: 2969400 -3.01652 25.3265 -26.6851 19.7095 -30.322 39.1581 -21.9963 39.1936 20.7767 TIMING: 2969400 CPU: 8617.81, 0.0029303/step Wall: 8617.81, 0.0029303/step, 1.65285 hours remaining, 208.023438 MB of memory in use. ENERGY: 2969400 741.4519 2063.8845 1972.9929 108.2888 -206310.6914 17744.9007 0.0000 0.0000 34174.2533 -149504.9192 298.4523 -183679.1725 -149416.8164 298.4846 -113.7784 -81.3721 558270.9364 -4.4997 -4.1873 PRESSURE: 2969600 131.054 17.879 56.7983 17.8797 -150.398 71.5136 56.7985 71.5144 166.405 GPRESSURE: 2969600 146.301 -82.3309 80.9422 52.6503 -131.29 128.346 23.9216 96.1173 218.423 PRESSAVG: 2969600 24.5063 -1.5568 2.54241 -1.55685 34.8998 -19.8732 2.54244 -19.8732 -48.2727 GPRESSAVG: 2969600 24.7915 -2.83854 2.46803 0.406539 33.5447 -20.6168 0.689424 -18.5438 -47.6637 TIMING: 2969600 CPU: 8618.39, 0.00291286/step Wall: 8618.39, 0.00291286/step, 1.64285 hours remaining, 208.023438 MB of memory in use. ENERGY: 2969600 739.4174 2096.0399 1973.8281 122.9374 -206556.7347 18098.7455 0.0000 0.0000 34238.4132 -149287.3531 299.0126 -183525.7664 -149195.3322 298.4229 49.0201 77.8114 559212.7679 3.7111 3.5575 PRESSURE: 2969800 249.36 25.604 80.5894 25.6036 308.878 113.485 80.5902 113.486 -55.0922 GPRESSURE: 2969800 262.431 49.7928 63.841 -20.7398 294.377 206.527 65.1966 72.229 50.9233 PRESSAVG: 2969800 52.24 -20.603 -12.7813 -20.603 -35.5569 26.9658 -12.7812 26.9658 -44.5806 GPRESSAVG: 2969800 51.6582 -19.6702 -12.6191 -20.8645 -35.4934 29.9592 -14.2944 26.638 -44.5399 TIMING: 2969800 CPU: 8618.98, 0.00292825/step Wall: 8618.98, 0.00292825/step, 1.65137 hours remaining, 208.023438 MB of memory in use. ENERGY: 2969800 741.7899 2061.2546 1965.5395 130.8873 -206619.4279 18326.6823 0.0000 0.0000 34219.8847 -149173.3896 298.8508 -183393.2744 -149087.1791 299.2489 167.7154 202.5769 558105.4128 -9.2992 -9.4584 PRESSURE: 2970000 19.723 38.2502 -149.867 38.2496 -133.673 -66.5475 -149.867 -66.5463 -241.586 GPRESSURE: 2970000 84.2352 -64.7687 -143.697 90.5116 -127.53 -77.46 -99.4631 -20.9468 -220.197 PRESSAVG: 2970000 13.4931 7.37065 31.6164 7.37062 33.9051 17.4585 31.6163 17.4584 -34.8424 GPRESSAVG: 2970000 13.7438 6.8189 30.6202 7.792 33.7701 15.4006 34.9757 16.412 -35.3105 TIMING: 2970000 CPU: 8619.57, 0.00293959/step Wall: 8619.57, 0.00293959/step, 1.6576 hours remaining, 208.023438 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: 2970000 761.2522 2034.0623 1984.7974 123.7791 -206221.5454 17828.8113 0.0000 0.0000 34323.0791 -149165.7641 299.7520 -183488.8431 -149064.1324 299.4600 -118.5119 -87.8308 559032.2604 4.1853 4.0678 PRESSURE: 2970200 -119.474 -15.9106 -27.17 -15.9104 -430.012 -114.797 -27.1704 -114.797 -27.8814 GPRESSURE: 2970200 -124.866 -0.294529 -17.5521 -34.9781 -350.049 -139.587 3.76515 -144.014 -4.49087 PRESSAVG: 2970200 20.0158 38.4884 -13.1614 38.4884 -7.2668 -55.5862 -13.1614 -55.5863 5.43442 GPRESSAVG: 2970200 19.7528 37.4129 -11.8076 39.2851 -6.65861 -54.2108 -14.8295 -54.4544 5.75256 TIMING: 2970200 CPU: 8620.16, 0.00294834/step Wall: 8620.16, 0.00294834/step, 1.66237 hours remaining, 208.023438 MB of memory in use. ENERGY: 2970200 750.2959 2113.9821 2011.3685 115.2460 -205785.1229 17614.2286 0.0000 0.0000 34242.1127 -148937.8891 299.0449 -183180.0018 -148848.1127 299.4458 -192.4555 -159.8018 560594.2746 6.0611 6.2822 PRESSURE: 2970400 -108.419 -66.7786 51.2319 -66.7795 68.9423 -38.9422 51.2317 -38.9412 -82.1915 GPRESSURE: 2970400 -143.066 -44.1108 79.3696 -75.3421 122.182 -1.70091 65.1783 -34.7089 -4.88843 PRESSAVG: 2970400 94.6711 -1.80405 -17.3156 -1.804 -70.4413 -20.4362 -17.3156 -20.4362 -64.625 GPRESSAVG: 2970400 94.2299 -2.19188 -17.7342 -3.29469 -69.4268 -22.2098 -19.3803 -20.2455 -65.2012 TIMING: 2970400 CPU: 8620.74, 0.00293948/step Wall: 8620.74, 0.00293948/step, 1.65721 hours remaining, 208.023438 MB of memory in use. ENERGY: 2970400 741.6965 2174.3230 1983.4978 101.4409 -206159.3379 17891.4369 0.0000 0.0000 34352.3369 -148914.6057 300.0075 -183266.9426 -148822.7877 299.7160 -40.5559 -8.5910 560270.5170 -13.4651 -13.4660 PRESSURE: 2970600 318.712 -20.6405 -50.0468 -20.6401 60.5664 54.5578 -50.0469 54.5574 193.832 GPRESSURE: 2970600 364.586 -56.8522 -142.396 -14.613 49.0192 51.1939 41.4069 -15.6251 260.608 PRESSAVG: 2970600 57.9704 -11.698 1.22992 -11.698 23.2852 -8.0533 1.22988 -8.05324 -45.713 GPRESSAVG: 2970600 58.8878 -11.6736 1.27561 -11.1445 22.0051 -9.05219 2.20515 -8.93129 -45.0247 TIMING: 2970600 CPU: 8621.34, 0.00295338/step Wall: 8621.34, 0.00295338/step, 1.66489 hours remaining, 208.023438 MB of memory in use. ENERGY: 2970600 712.4336 2069.5565 1981.1758 111.3530 -206086.8038 17958.6807 0.0000 0.0000 34375.6592 -148877.9450 300.2112 -183253.6042 -148775.4646 299.2830 191.0368 224.7378 558059.6949 11.8475 11.9560 PRESSURE: 2970800 54.7098 -87.7621 58.7951 -87.7628 197.061 54.0668 58.7953 54.0673 40.4748 GPRESSURE: 2970800 153.822 -55.7488 77.459 -134.881 197.387 63.0774 86.7358 13.5277 43.6578 PRESSAVG: 2970800 34.9961 15.685 -21.8296 15.685 -13.9246 -11.3979 -21.8295 -11.3979 -33.3289 GPRESSAVG: 2970800 34.527 16.1471 -21.1978 17.761 -13.9658 -9.52692 -22.5108 -11.153 -32.7337 TIMING: 2970800 CPU: 8621.93, 0.00297899/step Wall: 8621.93, 0.00297899/step, 1.67916 hours remaining, 208.023438 MB of memory in use. ENERGY: 2970800 759.9271 2052.9658 1969.3256 108.8155 -206173.3414 17926.1052 0.0000 0.0000 34318.7640 -149037.4381 299.7143 -183356.2021 -148945.9765 299.1665 97.4151 131.6221 556914.8393 -4.0858 -4.0575 PRESSURE: 2971000 -53.6517 -51.7918 -89.1567 -51.7925 -27.6509 -126.075 -89.1574 -126.075 -2.82706 GPRESSURE: 2971000 -38.6974 -73.537 -19.6506 -32.2449 38.0134 -78.3114 -180.61 -186.197 20.1196 PRESSAVG: 2971000 -2.27325 -28.7197 -54.5736 -28.7197 28.8966 2.21693 -54.5737 2.21696 14.9228 GPRESSAVG: 2971000 -3.51047 -27.4896 -55.2603 -31.7275 30.2086 1.28447 -53.3834 3.04773 15.054 TIMING: 2971000 CPU: 8622.52, 0.00294337/step Wall: 8622.52, 0.00294337/step, 1.65892 hours remaining, 208.023438 MB of memory in use. ENERGY: 2971000 717.8979 2087.2681 1973.3596 108.7873 -205967.3062 17788.6707 0.0000 0.0000 34160.8147 -149130.5080 298.3349 -183291.3227 -149023.6078 299.1595 -28.0432 6.4785 558124.5323 13.8487 13.9174 PRESSURE: 2971200 -307.965 -80.3908 126.191 -80.3906 -33.8819 153.035 126.191 153.036 -138.763 GPRESSURE: 2971200 -326.216 -154.13 149.607 -67.1182 -7.90381 93.4341 93.7563 153.202 -45.7822 PRESSAVG: 2971200 22.5487 -0.423777 -71.3274 -0.423654 -5.038 -13.378 -71.3274 -13.378 -42.668 GPRESSAVG: 2971200 22.2007 -1.25481 -69.8873 0.703291 -5.64219 -13.7696 -71.5076 -13.0881 -41.4947 TIMING: 2971200 CPU: 8623.11, 0.0029333/step Wall: 8623.11, 0.0029333/step, 1.65308 hours remaining, 208.023438 MB of memory in use. ENERGY: 2971200 779.8240 2089.6939 1957.1949 117.0498 -206231.9656 17829.8104 0.0000 0.0000 34496.9763 -148961.4162 301.2707 -183458.3926 -148869.7085 300.2780 -160.2031 -126.6338 558014.4265 -8.3857 -8.3121 PRESSURE: 2971400 -37.399 57.7091 -100.592 57.7103 132.597 -48.6227 -100.593 -48.6247 173.756 GPRESSURE: 2971400 42.136 114.894 -98.2966 38.479 195.563 -64.152 -42.2346 -38.4801 144.733 PRESSAVG: 2971400 -34.471 -11.5548 2.33061 -11.5549 16.527 1.8446 2.33049 1.84462 37.1929 GPRESSAVG: 2971400 -34.583 -11.4822 3.17147 -11.5642 16.5896 2.83887 -0.627875 2.0783 37.0725 TIMING: 2971400 CPU: 8623.69, 0.00290693/step Wall: 8623.69, 0.00290693/step, 1.63805 hours remaining, 208.023438 MB of memory in use. ENERGY: 2971400 721.5668 2104.2024 1977.4252 105.2198 -206237.2054 17891.3860 0.0000 0.0000 34387.5277 -149049.8776 300.3148 -183437.4053 -148947.5508 299.5725 89.6515 127.4772 556607.9950 6.4163 6.3597 PRESSURE: 2971600 149.488 64.5816 70.0973 64.5822 114.365 124.217 70.098 124.217 75.7052 GPRESSURE: 2971600 198.724 26.6493 109.954 117.837 129.346 81.2056 52.334 158.05 102.901 PRESSAVG: 2971600 33.3817 41.1183 11.7617 41.1182 4.84386 -3.38988 11.7617 -3.38993 -28.0704 GPRESSAVG: 2971600 34.5349 41.676 9.88627 39.9064 4.6674 -3.1887 13.8234 -3.78402 -29.5747 TIMING: 2971600 CPU: 8624.27, 0.00291733/step Wall: 8624.27, 0.00291733/step, 1.64375 hours remaining, 208.023438 MB of memory in use. ENERGY: 2971600 738.6343 2078.8465 1935.9884 110.1749 -206116.6767 17967.1517 0.0000 0.0000 34416.8764 -148869.0045 300.5711 -183285.8809 -148770.9990 299.8916 113.1864 143.6571 558343.2241 3.3851 3.2092 PRESSURE: 2971800 303.731 31.6365 -110.497 31.6372 32.1355 -94.9039 -110.498 -94.9042 74.2375 GPRESSURE: 2971800 350.833 -30.7953 -88.694 75.6525 33.492 -145.437 -106.157 -101.654 142.27 PRESSAVG: 2971800 21.045 -3.7127 -10.5491 -3.71271 24.2633 12.0867 -10.5491 12.0867 -36.3616 GPRESSAVG: 2971800 21.4638 -1.6293 -8.60046 -2.58144 23.9644 11.0682 -11.7873 10.3908 -36.1563 TIMING: 2971800 CPU: 8624.86, 0.0029224/step Wall: 8624.86, 0.0029224/step, 1.64645 hours remaining, 208.023438 MB of memory in use. ENERGY: 2971800 759.7837 2143.8825 2009.2467 105.8261 -205865.0402 17771.2448 0.0000 0.0000 34369.3476 -148705.7088 300.1561 -183075.0564 -148607.9360 299.9081 136.7014 175.5318 557847.3245 2.9822 3.0907 PRESSURE: 2972000 28.9496 101.276 101.19 101.276 -27.5859 39.1996 101.192 39.2008 -84.0883 GPRESSURE: 2972000 4.52046 188.556 56.082 22.3771 43.2552 -13.2131 114.345 37.3386 -36.8634 PRESSAVG: 2972000 24.5982 12.4953 0.300808 12.4952 -26.802 61.6664 0.300789 61.6664 29.3429 GPRESSAVG: 2972000 24.1887 9.4714 0.311147 15.9737 -26.4828 62.4319 2.49021 62.9667 29.2524 TIMING: 2972000 CPU: 8625.44, 0.00292086/step Wall: 8625.44, 0.00292086/step, 1.64542 hours remaining, 208.023438 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: 2972000 751.8843 2105.6910 1979.4201 117.1488 -206140.8823 17963.2851 0.0000 0.0000 34619.8718 -148603.5813 302.3440 -183223.4531 -148502.9262 300.4961 -27.5749 3.6374 559487.1776 9.0464 8.9861 PRESSURE: 2972200 -60.198 -107.829 11.593 -107.826 122.347 87.1911 11.593 87.1902 -174.384 GPRESSURE: 2972200 -26.3534 -25.432 51.6349 -85.9143 164.943 143.664 8.62543 33.4281 -146.061 PRESSAVG: 2972200 65.3226 3.79393 21.2868 3.79394 -47.2843 45.9159 21.2869 45.9159 -5.74113 GPRESSAVG: 2972200 65.7667 4.55903 20.5783 2.10272 -47.5469 46.6469 20.2806 45.054 -6.17579 TIMING: 2972200 CPU: 8626.02, 0.00291977/step Wall: 8626.02, 0.00291977/step, 1.64464 hours remaining, 208.023438 MB of memory in use. ENERGY: 2972200 810.5655 2095.2393 1940.9712 119.3003 -205847.5946 17773.8661 0.0000 0.0000 34330.3354 -148777.3168 299.8154 -183107.6522 -148677.8859 300.5934 -37.4117 -2.4905 559407.7072 4.0990 4.0147 LDB: ============= START OF LOAD BALANCING ============== 8629.49 LDB: ============== END OF LOAD BALANCING =============== 8629.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.49 LDB: ============= START OF LOAD BALANCING ============== 8629.79 LDB: Largest compute 4848 load 0.028809 is 24.4% of average load 0.117830 LDB: Average compute 0.001703 is 1.4% of average load 0.117830 LDB: TIME 8629.79 LOAD: AVG 0.11783 MAX 0.177796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.762 MB LDB: TIME 8629.79 LOAD: AVG 0.11783 MAX 0.177796 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: TIME 8629.79 LOAD: AVG 0.11783 MAX 0.177796 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8629.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.8 PRESSURE: 2972400 157.973 -210.139 215.282 -210.139 -29.6903 130.104 215.282 130.105 -189.384 GPRESSURE: 2972400 192.532 -155.856 194.15 -180.8 4.75288 153.14 281.797 99.9163 -152.314 PRESSAVG: 2972400 59.2609 -30.5459 20.4419 -30.5458 -11.4327 0.454761 20.4419 0.45471 -31.1197 GPRESSAVG: 2972400 58.2607 -29.2831 21.3473 -31.2383 -10.13 -0.494318 20.5041 1.86535 -31.0373 TIMING: 2972400 CPU: 8626.62, 0.0029817/step Wall: 8626.62, 0.0029817/step, 1.67936 hours remaining, 206.402344 MB of memory in use. ENERGY: 2972400 755.5517 2066.7345 1934.6899 103.9999 -205622.6313 17671.2720 0.0000 0.0000 34224.0250 -148866.3583 298.8869 -183090.3833 -148775.7214 300.2428 -20.3671 14.9906 559799.9145 5.5695 5.6978 PRESSURE: 2972600 173.442 34.6002 -135.715 34.6 200.804 -21.87 -135.716 -21.8691 519.791 GPRESSURE: 2972600 277.299 94.2927 -118.837 17.1531 201.399 -64.4966 -159.219 -60.9812 508.01 PRESSAVG: 2972600 15.8662 -23.0609 -29.1185 -23.0608 15.842 -1.71257 -29.1185 -1.71258 -53.0365 GPRESSAVG: 2972600 15.5751 -22.0678 -30.0506 -23.3484 15.5771 -1.61995 -30.9238 -4.26698 -52.4817 TIMING: 2972600 CPU: 8627.21, 0.00295301/step Wall: 8627.21, 0.00295301/step, 1.66304 hours remaining, 206.808594 MB of memory in use. ENERGY: 2972600 733.4887 2066.3303 1975.8152 99.6189 -206413.6476 18327.5412 0.0000 0.0000 34174.1517 -149036.7016 298.4514 -183210.8533 -148944.1161 299.2260 298.0122 328.9031 558154.4814 -7.1094 -7.1098 PRESSURE: 2972800 -86.4532 -152.065 -24.2272 -152.065 -44.9466 23.7368 -24.2266 23.7355 -99.4418 GPRESSURE: 2972800 -77.8883 -135.446 -114.224 -138.529 62.2173 -59.4606 52.83 45.3644 -107.097 PRESSAVG: 2972800 32.4856 -20.3544 -23.2369 -20.3544 26.7551 -21.0453 -23.2368 -21.0454 -51.8412 GPRESSAVG: 2972800 31.7114 -22.55 -25.1851 -20.5843 27.8159 -21.2859 -20.2014 -18.753 -52.1779 TIMING: 2972800 CPU: 8627.8, 0.00295261/step Wall: 8627.8, 0.00295261/step, 1.66265 hours remaining, 206.808594 MB of memory in use. ENERGY: 2972800 741.6116 2040.3410 1947.2316 109.1363 -206052.0311 17875.2387 0.0000 0.0000 34178.6209 -149159.8512 298.4904 -183338.4720 -149064.9372 299.2063 -76.9472 -40.9227 560736.1764 2.4665 2.4498 PRESSURE: 2973000 87.9929 45.5889 39.8626 45.5908 -49.0523 107.061 39.863 107.061 -9.64859 GPRESSURE: 2973000 126.181 1.67728 12.5463 70.1039 -13.5732 145.918 61.3056 -12.0723 14.6625 PRESSAVG: 2973000 -12.9388 -13.4622 -39.4931 -13.4622 40.3907 -80.7841 -39.4931 -80.7841 -21.76 GPRESSAVG: 2973000 -13.4842 -12.7125 -38.0499 -13.5602 38.4678 -81.8985 -40.2674 -81.6435 -19.4144 TIMING: 2973000 CPU: 8628.39, 0.00294281/step Wall: 8628.39, 0.00294281/step, 1.65697 hours remaining, 206.808594 MB of memory in use. ENERGY: 2973000 694.9227 2058.8878 1980.2390 117.3860 -206438.5828 18067.3416 0.0000 0.0000 34236.2535 -149283.5523 298.9937 -183519.8057 -149190.9923 298.4872 9.7640 42.4234 559438.1778 1.8973 1.8564 PRESSURE: 2973200 -272.177 65.6073 7.7329 65.6063 -314.828 -24.6367 7.73287 -24.6363 -287.038 GPRESSURE: 2973200 -220.648 42.203 -28.9199 42.2531 -340.555 -20.0989 -19.3843 1.67187 -221.028 PRESSAVG: 2973200 -55.1871 13.9881 34.0435 13.9882 24.8915 17.4966 34.0435 17.4967 -3.2914 GPRESSAVG: 2973200 -54.2449 13.0539 32.8326 15.4625 25.9798 17.4536 32.0948 17.6631 -5.54519 TIMING: 2973200 CPU: 8628.97, 0.00291739/step Wall: 8628.97, 0.00291739/step, 1.64249 hours remaining, 206.808594 MB of memory in use. ENERGY: 2973200 765.2400 2134.3736 1977.3377 108.2883 -205818.1473 17428.6047 0.0000 0.0000 34270.2813 -149134.0219 299.2909 -183404.3031 -149040.2015 298.6949 -291.3474 -260.7439 558817.9287 -11.1957 -11.2701 PRESSURE: 2973400 62.3136 27.5386 -91.3062 27.5391 50.9863 85.5952 -91.3068 85.5934 117.352 GPRESSURE: 2973400 116.236 67.4094 -85.2731 36.8047 69.4183 27.9308 -114.325 94.5216 131.569 PRESSAVG: 2973400 -18.8337 36.2987 -33.1368 36.2988 10.0761 20.9105 -33.1368 20.9106 -3.49026 GPRESSAVG: 2973400 -18.4702 36.3473 -31.0236 36.3124 10.6089 22.4604 -28.6207 21.4855 -4.52004 TIMING: 2973400 CPU: 8629.56, 0.00292039/step Wall: 8629.56, 0.00292039/step, 1.64402 hours remaining, 206.808594 MB of memory in use. ENERGY: 2973400 781.2328 2038.5001 1971.8311 111.7620 -206478.9793 18205.5998 0.0000 0.0000 34204.3447 -149165.7087 298.7150 -183370.0534 -149067.8289 298.9554 76.8840 105.7409 558754.7156 -4.0826 -4.1271 PRESSURE: 2973600 249.718 29.7505 -43.4423 29.7497 -99.0545 -0.0984741 -43.4431 -0.0990221 136.307 GPRESSURE: 2973600 278.457 -20.2835 2.3023 86.4988 -129.887 -110.636 -96.9936 12.0859 241.69 PRESSAVG: 2973600 6.16344 -50.333 -76.0313 -50.333 -37.2311 -45.3656 -76.0313 -45.3657 50.0709 GPRESSAVG: 2973600 6.02318 -50.2819 -76.6199 -51.0528 -38.5398 -45.7985 -79.5279 -46.2699 51.8587 TIMING: 2973600 CPU: 8630.14, 0.00290948/step Wall: 8630.14, 0.00290948/step, 1.63772 hours remaining, 206.808594 MB of memory in use. ENERGY: 2973600 671.9725 2063.5672 1971.2395 115.6415 -206371.1609 17943.6455 0.0000 0.0000 34450.1103 -149154.9845 300.8614 -183605.0947 -149056.0593 299.2066 95.6572 130.0867 559935.2100 6.3344 6.4473 PRESSURE: 2973800 -277.016 -203.424 91.4228 -203.423 75.0222 20.5722 91.4245 20.5711 -277.902 GPRESSURE: 2973800 -242.705 -239.041 15.3638 -73.3085 25.2704 -30.0658 251.284 9.06403 -161.404 PRESSAVG: 2973800 33.964 -7.91843 1.92042 -7.91845 -32.0403 -11.7692 1.92045 -11.7692 -42.4088 GPRESSAVG: 2973800 33.8389 -8.85456 2.73304 -9.02417 -32.3878 -11.365 2.15081 -11.5017 -41.5111 TIMING: 2973800 CPU: 8630.72, 0.00291612/step Wall: 8630.72, 0.00291612/step, 1.64129 hours remaining, 206.808594 MB of memory in use. ENERGY: 2973800 773.4409 2105.5539 1968.8601 108.0715 -205805.2526 17759.5280 0.0000 0.0000 33927.4157 -149162.3824 296.2966 -183089.7981 -149069.2431 298.7602 -159.9651 -126.2796 559633.1767 -13.4950 -13.3533 PRESSURE: 2974000 -82.2113 115.578 22.1941 115.577 16.8837 204.202 22.1962 204.202 -15.0978 GPRESSURE: 2974000 -45.5297 34.6675 23.8152 121.859 64.4344 153.817 -67.053 201.158 -4.34776 PRESSAVG: 2974000 -1.79891 7.3361 -0.377273 7.3362 30.8997 -6.62756 -0.377336 -6.6277 -14.416 GPRESSAVG: 2974000 -1.43278 8.1637 -0.756193 9.06584 32.7122 -8.06762 0.999778 -5.46527 -16.1605 TIMING: 2974000 CPU: 8631.3, 0.00290607/step Wall: 8631.3, 0.00290607/step, 1.63547 hours remaining, 206.808594 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: 2974000 721.2016 2074.6149 1970.2642 125.3342 -206387.7963 17902.7540 0.0000 0.0000 34164.4548 -149429.1726 298.3667 -183593.6273 -149335.9890 298.5882 -26.8085 4.8523 557130.4293 4.8949 5.0396 PRESSURE: 2974200 22.9743 75.5243 95.9652 75.5248 -190.941 32.3378 95.9668 32.3379 -176.191 GPRESSURE: 2974200 39.5628 56.5344 33.8128 116.143 -163.349 44.4806 124.378 5.11497 -124.069 PRESSAVG: 2974200 53.232 29.8014 -11.0415 29.8015 -14.1605 -10.6067 -11.0414 -10.6067 -51.4668 GPRESSAVG: 2974200 52.2511 30.3269 -12.3388 30.1082 -13.8858 -11.7789 -11.3511 -9.71818 -50.4176 TIMING: 2974200 CPU: 8631.89, 0.00292738/step Wall: 8631.89, 0.00292738/step, 1.6473 hours remaining, 206.808594 MB of memory in use. ENERGY: 2974200 729.7795 2093.7434 1991.6217 128.2898 -206208.7768 17707.7016 0.0000 0.0000 34294.4263 -149263.2146 299.5018 -183557.6409 -149167.7305 298.7656 -114.7191 -82.6185 558607.6415 -4.1318 -4.0174 PRESSURE: 2974400 183.492 54.147 161.943 54.1464 -98.1624 183.105 161.944 183.106 196.128 GPRESSURE: 2974400 264.907 36.8038 140.806 20.2999 -62.4125 157.021 105.611 67.0245 177.961 PRESSAVG: 2974400 3.49486 3.22971 28.0162 3.22976 -30.9701 33.3532 28.0161 33.3533 40.0889 GPRESSAVG: 2974400 4.18765 4.02615 29.3747 1.93475 -31.4096 32.9993 27.9973 31.858 39.6078 TIMING: 2974400 CPU: 8632.47, 0.00290196/step Wall: 8632.47, 0.00290196/step, 1.63284 hours remaining, 206.808594 MB of memory in use. ENERGY: 2974400 789.3340 2126.9888 1978.2600 119.0035 -206608.2083 18127.7991 0.0000 0.0000 34196.8913 -149269.9315 298.6500 -183466.8228 -149176.5423 298.4677 93.8193 126.8183 558193.3225 4.2046 4.1286 PRESSURE: 2974600 3.00972 68.9444 62.8873 68.9452 -133.651 -87.1502 62.8893 -87.151 -8.42134 GPRESSURE: 2974600 66.4583 70.7148 30.7319 28.0176 -92.9676 -58.6615 110.726 -31.1397 -29.886 PRESSAVG: 2974600 31.3923 -35.0941 -9.263 -35.0941 -6.27055 32.3389 -9.26302 32.3389 -0.0729532 GPRESSAVG: 2974600 31.8425 -36.9386 -9.58505 -33.9701 -6.18051 32.9823 -8.7992 33.7896 0.0635872 TIMING: 2974600 CPU: 8633.05, 0.00289205/step Wall: 8633.05, 0.00289205/step, 1.6271 hours remaining, 206.808594 MB of memory in use. ENERGY: 2974600 758.5187 2153.1846 1969.8109 100.1374 -206175.5081 17784.1555 0.0000 0.0000 34052.5590 -149357.1420 297.3895 -183409.7010 -149260.0471 298.6830 -46.3541 -18.7984 557064.4056 8.3496 8.5752 PRESSURE: 2974800 108.478 -74.2827 -149.077 -74.2818 -96.4406 78.4531 -149.078 78.4499 -61.2295 GPRESSURE: 2974800 147.31 -76.4424 -162.982 -167.91 -113.49 80.7577 -124.831 147.935 7.2983 PRESSAVG: 2974800 19.6974 -22.0089 -26.7991 -22.0089 -35.4944 -32.0451 -26.7991 -32.0453 15.1824 GPRESSAVG: 2974800 17.764 -20.814 -26.9488 -22.2913 -34.1684 -33.6718 -27.4439 -31.784 15.6643 TIMING: 2974800 CPU: 8633.63, 0.00291609/step Wall: 8633.63, 0.00291609/step, 1.64046 hours remaining, 206.808594 MB of memory in use. ENERGY: 2974800 769.9583 2105.6822 1953.1521 100.9953 -206309.0400 17875.1163 0.0000 0.0000 34303.4421 -149200.6938 299.5805 -183504.1359 -149106.5204 299.0098 -16.3973 13.7062 557298.9590 -0.2048 -0.2467 PRESSURE: 2975000 -21.2262 56.3936 -148.187 56.3934 -210.914 -64.381 -148.187 -64.3816 128.921 GPRESSURE: 2975000 -44.9284 77.3892 -149.271 65.8629 -152.757 -136.262 -168.731 -34.889 200.084 PRESSAVG: 2975000 104.496 0.633021 -11.0272 0.633015 -29.3231 -31.2268 -11.0272 -31.2269 -65.6635 GPRESSAVG: 2975000 104.639 -0.145452 -10.5216 -1.14453 -28.8304 -29.8232 -12.0612 -32.0021 -66.7102 TIMING: 2975000 CPU: 8634.22, 0.00293775/step Wall: 8634.22, 0.00293775/step, 1.65248 hours remaining, 206.808594 MB of memory in use. ENERGY: 2975000 719.2877 2122.2735 1980.2762 110.8380 -206314.1743 17935.8038 0.0000 0.0000 34186.1990 -149259.4962 298.5566 -183445.6951 -149160.5495 299.1198 -34.4065 0.7998 558326.0582 3.1699 3.0326 PRESSURE: 2975200 -27.6533 -115.7 76.7371 -115.7 -214.482 -167.398 76.7365 -167.398 -11.7679 GPRESSURE: 2975200 -25.5952 -107.018 85.8221 -66.5679 -192.735 -150.122 66.5514 -155.748 60.9297 PRESSAVG: 2975200 -8.95113 -19.0124 -17.1277 -19.0124 2.3521 -33.4653 -17.1277 -33.4653 4.54413 GPRESSAVG: 2975200 -7.3906 -20.3231 -15.5472 -17.248 1.45206 -34.2313 -17.626 -33.1459 3.68122 TIMING: 2975200 CPU: 8634.8, 0.00290237/step Wall: 8634.8, 0.00290237/step, 1.63242 hours remaining, 206.878906 MB of memory in use. ENERGY: 2975200 720.6681 2172.4021 1974.7149 141.1067 -206181.9728 17706.8218 0.0000 0.0000 34108.6973 -149357.5618 297.8797 -183466.2590 -149258.5420 298.9497 -84.6344 -52.4668 557290.3951 -0.6850 -0.7524 PRESSURE: 2975400 18.5121 -10.3675 -101.452 -10.3676 -339.067 -78.0634 -101.453 -78.0624 -113.208 GPRESSURE: 2975400 74.8843 -39.7548 -123.322 -11.5199 -295.947 -60.3858 -48.6045 -32.9008 -110.195 PRESSAVG: 2975400 31.2591 -6.25297 -14.2971 -6.25298 7.27481 -56.5498 -14.2971 -56.5497 8.95111 GPRESSAVG: 2975400 31.0189 -6.15729 -16.8196 -5.8674 6.44934 -55.9868 -11.2563 -56.7661 9.88241 TIMING: 2975400 CPU: 8635.38, 0.00291632/step Wall: 8635.38, 0.00291633/step, 1.64011 hours remaining, 206.878906 MB of memory in use. ENERGY: 2975400 734.1368 2132.8552 1973.8452 112.9180 -205753.0121 17402.5515 0.0000 0.0000 34039.8338 -149356.8715 297.2783 -183396.7053 -149263.0041 298.9923 -144.5875 -110.4190 557113.6933 15.8283 15.7835 PRESSURE: 2975600 -98.0745 128.146 214.854 128.145 147.783 -40.8127 214.854 -40.8111 -90.8016 GPRESSURE: 2975600 -44.3382 180.437 301.023 150.224 182.821 -29.3976 173.986 -111.371 -85.5072 PRESSAVG: 2975600 -9.24209 16.8778 14.0031 16.8778 -30.6074 -53.0466 14.0032 -53.0467 41.584 GPRESSAVG: 2975600 -9.94824 17.5618 13.678 17.3556 -30.2449 -54.9785 11.7552 -54.0591 42.1743 TIMING: 2975600 CPU: 8635.96, 0.00289952/step Wall: 8635.96, 0.00289952/step, 1.6305 hours remaining, 206.878906 MB of memory in use. ENERGY: 2975600 730.9657 2127.2754 1976.6689 108.1228 -206480.0938 17830.7034 0.0000 0.0000 34255.8963 -149450.4613 299.1653 -183706.3576 -149349.6039 299.3649 -13.6977 17.6585 556651.6483 0.5782 0.6604 PRESSURE: 2975800 -23.7372 212.113 10.2878 212.113 -175.246 123.9 10.2877 123.902 204.852 GPRESSURE: 2975800 -2.38357 220.369 44.7886 160.274 -107.717 96.8014 34.7159 161 214.79 PRESSAVG: 2975800 -66.4958 23.6084 -18.0306 23.6083 8.47089 44.4508 -18.0305 44.451 69.1646 GPRESSAVG: 2975800 -65.712 24.0391 -17.7041 22.3517 8.04429 45.6542 -19.8484 45.1556 69.1557 TIMING: 2975800 CPU: 8636.54, 0.00289499/step Wall: 8636.54, 0.00289499/step, 1.62779 hours remaining, 206.878906 MB of memory in use. ENERGY: 2975800 733.9738 2076.8843 1959.8342 121.5680 -206122.8240 17837.7398 0.0000 0.0000 34098.6981 -149294.1257 297.7924 -183392.8238 -149193.1620 298.9016 1.9564 34.8962 558368.1295 3.7132 3.8293 PRESSURE: 2976000 -207.579 149.063 28.9805 149.063 -50.0108 -7.25714 28.98 -7.25608 -74.5897 GPRESSURE: 2976000 -154.478 97.8996 -40.0492 185.191 -71.8904 10.0192 39.2971 -74.1848 -10.5071 PRESSAVG: 2976000 -27.4418 25.531 -5.51363 25.5311 19.7954 22.4633 -5.51361 22.4633 -9.5059 GPRESSAVG: 2976000 -27.5673 24.8076 -5.5294 25.1144 20.0975 22.5067 -3.34498 21.5653 -9.65936 TIMING: 2976000 CPU: 8637.12, 0.00290892/step Wall: 8637.12, 0.00290892/step, 1.63546 hours remaining, 206.878906 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: 2976000 751.5788 2088.3174 1943.0544 106.3018 -206555.3977 17860.3790 0.0000 0.0000 34304.2853 -149501.4810 299.5879 -183805.7663 -149399.4008 298.3031 -110.7266 -78.9583 557958.2818 -5.7174 -5.7097 PRESSURE: 2976200 -217.343 0.690357 -225.163 0.689622 -227.723 145.955 -225.163 145.954 -284.81 GPRESSURE: 2976200 -162.158 41.868 -208.906 1.0944 -192.825 123.769 -241.461 221.233 -269.874 PRESSAVG: 2976200 9.67099 -6.83441 31.1069 -6.83438 -27.198 -20.9876 31.1069 -20.9876 31.4019 GPRESSAVG: 2976200 9.58627 -6.7078 31.8123 -7.6943 -27.5838 -20.1364 29.6809 -20.6488 31.5835 TIMING: 2976200 CPU: 8637.71, 0.00292929/step Wall: 8637.71, 0.00292929/step, 1.64675 hours remaining, 206.878906 MB of memory in use. ENERGY: 2976200 774.5897 2063.5606 1983.3872 119.0553 -206244.9643 17775.8676 0.0000 0.0000 34125.3247 -149403.1791 298.0249 -183528.5038 -149315.7954 297.9167 -243.2920 -208.2856 558993.3840 4.6250 4.5287 LDB: ============= START OF LOAD BALANCING ============== 8641.18 LDB: ============== END OF LOAD BALANCING =============== 8641.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8641.18 LDB: ============= START OF LOAD BALANCING ============== 8641.47 LDB: Largest compute 4848 load 0.029457 is 25.0% of average load 0.117843 LDB: Average compute 0.001709 is 1.4% of average load 0.117843 LDB: TIME 8641.48 LOAD: AVG 0.117843 MAX 0.177751 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8641.48 LOAD: AVG 0.117843 MAX 0.177751 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: TIME 8641.48 LOAD: AVG 0.117843 MAX 0.177751 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: ============== END OF LOAD BALANCING =============== 8641.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8641.48 PRESSURE: 2976400 -124.371 -26.987 -153.443 -26.9874 -20.7318 22.8548 -153.443 22.8554 82.2928 GPRESSURE: 2976400 -102.42 -23.6029 -192.921 2.92819 0.949504 72.378 -38.475 32.679 131.743 PRESSAVG: 2976400 9.05646 -19.8068 -14.4371 -19.8067 -21.0076 -4.69521 -14.4371 -4.69525 -18.6212 GPRESSAVG: 2976400 8.60581 -16.8764 -15.4072 -20.5564 -19.5282 -4.7923 -12.2283 -4.90189 -20.1294 TIMING: 2976400 CPU: 8638.31, 0.0029927/step Wall: 8638.31, 0.0029927/step, 1.68223 hours remaining, 205.695312 MB of memory in use. ENERGY: 2976400 722.0323 2115.4089 1941.8617 103.5344 -206629.1931 18275.2914 0.0000 0.0000 34048.3244 -149422.7401 297.3525 -183471.0644 -149329.2574 298.1143 -20.9365 10.0909 560120.1935 -10.1908 -10.3506 PRESSURE: 2976600 -169.634 -140.598 -120.134 -140.597 -167.763 -49.9776 -120.134 -49.9776 214.675 GPRESSURE: 2976600 -109.743 -72.6259 -131.808 -142.937 -121.942 -197.329 -143.744 27.2121 223.437 PRESSAVG: 2976600 3.11454 -21.6395 -41.0166 -21.6394 -37.5105 12.5883 -41.0166 12.5882 55.9826 GPRESSAVG: 2976600 2.58973 -23.498 -38.2712 -19.8989 -38.3251 11.8131 -44.2067 12.6566 57.7892 TIMING: 2976600 CPU: 8638.9, 0.00295213/step Wall: 8638.9, 0.00295213/step, 1.65926 hours remaining, 205.898438 MB of memory in use. ENERGY: 2976600 733.7838 2075.6127 1983.2788 112.3191 -206258.0200 17954.1684 0.0000 0.0000 34168.9799 -149229.8774 298.4062 -183398.8573 -149139.0198 298.7350 -40.9075 -2.7494 559406.2214 7.1955 7.3513 PRESSURE: 2976800 122.665 137.306 -19.2292 137.307 -251.382 -51.2649 -19.2309 -51.266 -176.799 GPRESSURE: 2976800 173.569 87.781 36.5979 85.4528 -221.237 -17.0453 -14.5682 -13.7078 -159.489 PRESSAVG: 2976800 23.4414 0.222818 -35.0583 0.22279 -23.2356 -34.5305 -35.0583 -34.5305 39.1114 GPRESSAVG: 2976800 24.5206 -0.108541 -38.6625 -0.0165092 -22.822 -32.6537 -32.2931 -35.2619 38.0423 TIMING: 2976800 CPU: 8639.48, 0.00291066/step Wall: 8639.48, 0.00291066/step, 1.63579 hours remaining, 206.101562 MB of memory in use. ENERGY: 2976800 714.3308 2020.3570 1966.1982 108.3833 -206159.7377 17820.4011 0.0000 0.0000 34303.3958 -149226.6715 299.5801 -183530.0673 -149129.8593 299.2568 -101.8387 -69.0521 559354.0572 13.1057 13.2470 PRESSURE: 2977000 -5.81167 -3.91031 -183.09 -3.91041 248.461 -264.211 -183.089 -264.212 -88.6868 GPRESSURE: 2977000 53.9673 -12.808 -119.574 59.4139 287.521 -159.35 -214.582 -217.909 -86.6702 PRESSAVG: 2977000 47.6102 -39.4576 20.8575 -39.4578 17.8461 -4.19877 20.8574 -4.19872 -31.2224 GPRESSAVG: 2977000 47.0983 -38.9254 21.3006 -39.4991 17.9925 -4.92165 21.1835 -3.44966 -30.6227 TIMING: 2977000 CPU: 8640.06, 0.00289586/step Wall: 8640.06, 0.00289586/step, 1.62731 hours remaining, 206.101562 MB of memory in use. ENERGY: 2977000 778.0102 2073.7541 1952.2512 120.8824 -206309.8676 18124.1047 0.0000 0.0000 34061.8560 -149199.0090 297.4707 -183260.8650 -149107.4950 298.8719 51.3208 84.9395 560136.7803 11.4113 11.4894 PRESSURE: 2977200 -120.735 158.981 82.4843 158.981 -107.876 -8.58479 82.4835 -8.58532 -26.9106 GPRESSURE: 2977200 -99.9384 227.152 93.6346 190.736 -16.1259 59.4017 92.7773 -39.7657 -53.0989 PRESSAVG: 2977200 -36.5026 -23.4692 0.410391 -23.4693 119.465 11.6921 0.410452 11.6923 -96.6824 GPRESSAVG: 2977200 -34.9377 -23.78 1.06054 -25.6298 118.763 10.9495 -0.765831 9.86529 -97.1465 TIMING: 2977200 CPU: 8640.64, 0.00289767/step Wall: 8640.64, 0.00289767/step, 1.62817 hours remaining, 206.242188 MB of memory in use. ENERGY: 2977200 735.9404 2069.2929 1958.1662 124.2759 -206071.8676 17758.4156 0.0000 0.0000 34300.9246 -149124.8520 299.5585 -183425.7766 -149030.1873 298.9893 -85.1740 -56.3878 558328.7827 -4.5735 -4.4405 PRESSURE: 2977400 -17.1802 19.7061 -309.485 19.706 31.5939 -60.989 -309.486 -60.9888 211.847 GPRESSURE: 2977400 1.67284 -10.5179 -182.063 108.726 82.7801 -39.0903 -256.043 -57.9372 253.38 PRESSAVG: 2977400 -39.8685 -34.7084 -14.4502 -34.7085 17.5267 -8.13124 -14.4502 -8.1313 11.3688 GPRESSAVG: 2977400 -39.6447 -34.8226 -14.8568 -32.3203 17.3087 -6.08696 -14.7447 -8.22014 11.2997 TIMING: 2977400 CPU: 8641.21, 0.00287968/step Wall: 8641.21, 0.00287968/step, 1.6179 hours remaining, 206.242188 MB of memory in use. ENERGY: 2977400 726.8072 2074.2108 1985.0456 118.7769 -206555.8992 18125.9466 0.0000 0.0000 34279.8423 -149245.2698 299.3744 -183525.1122 -149150.9542 299.0698 75.4201 112.6111 557885.4748 -3.6577 -3.6788 PRESSURE: 2977600 -195.604 4.04835 20.9803 4.04976 62.1215 47.968 20.9809 47.9688 27.5233 GPRESSURE: 2977600 -141.898 -100.724 44.4505 96.3231 88.3822 36.6196 12.5471 47.6184 54.2616 PRESSAVG: 2977600 -54.8571 8.22776 -84.3726 8.22782 42.4128 0.692234 -84.3726 0.692098 35.7348 GPRESSAVG: 2977600 -55.3692 9.0998 -84.1622 6.05786 43.1739 0.383192 -83.1918 0.302955 35.9527 TIMING: 2977600 CPU: 8641.79, 0.00289886/step Wall: 8641.79, 0.00289886/step, 1.62852 hours remaining, 206.242188 MB of memory in use. ENERGY: 2977600 749.8932 2097.3739 1920.0538 105.5407 -206197.6063 17781.3982 0.0000 0.0000 34431.4219 -149111.9245 300.6982 -183543.3463 -149022.2417 299.5675 -35.3198 0.2487 557643.3027 7.7635 7.9192 PRESSURE: 2977800 -535.853 23.6734 25.758 23.6764 196.568 -65.7052 25.7573 -65.7064 20.2637 GPRESSURE: 2977800 -457.352 -11.0409 86.3658 18.2755 220.605 -86.5275 29.4056 -120.242 14.5326 PRESSAVG: 2977800 -63.7533 46.4626 8.92742 46.4626 67.2908 -9.13954 8.92738 -9.13954 20.4918 GPRESSAVG: 2977800 -64.1079 47.0719 8.84225 47.546 67.764 -11.4744 8.27822 -7.18019 20.3087 TIMING: 2977800 CPU: 8642.38, 0.00292844/step Wall: 8642.38, 0.00292844/step, 1.64497 hours remaining, 206.242188 MB of memory in use. ENERGY: 2977800 729.4563 2082.3633 1961.3905 123.5916 -205944.7936 17621.8455 0.0000 0.0000 34373.6531 -149052.4932 300.1937 -183426.1464 -148959.8022 300.1043 -106.3402 -74.0715 556084.6849 8.0097 7.9883 PRESSURE: 2978000 158.151 -11.8 -156.2 -11.8 -122.309 -4.25609 -156.2 -4.25649 165.939 GPRESSURE: 2978000 160.354 -45.9633 -203.354 50.5503 -61.6498 11.8822 -84.9114 -23.9742 211.284 PRESSAVG: 2978000 -65.1637 -65.0675 4.43859 -65.0675 58.8868 -57.8969 4.43854 -57.8967 -12.4981 GPRESSAVG: 2978000 -64.9021 -67.5046 5.32606 -63.9739 58.3539 -55.1944 4.8622 -59.1704 -11.7856 TIMING: 2978000 CPU: 8642.96, 0.00290979/step Wall: 8642.96, 0.00290979/step, 1.63433 hours remaining, 206.242188 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: 2978000 741.4977 2016.9297 1961.9667 98.8014 -205968.4642 17889.3966 0.0000 0.0000 34112.0580 -149147.8140 297.9091 -183259.8720 -149061.9405 299.4613 67.2603 103.3295 556851.5436 -6.2583 -6.1113 PRESSURE: 2978200 269.563 -56.8945 142.309 -56.8958 17.8647 -113.334 142.31 -113.333 61.6502 GPRESSURE: 2978200 338.149 -65.8001 158.973 27.3101 68.4065 -100.808 76.1364 -166.527 40.4066 PRESSAVG: 2978200 30.9998 30.9782 36.6052 30.9783 -73.3215 -20.5836 36.6053 -20.5837 28.6641 GPRESSAVG: 2978200 31.8784 33.1964 37.568 28.7111 -73.7897 -20.6237 35.6178 -22.1586 27.8772 TIMING: 2978200 CPU: 8643.54, 0.00288091/step Wall: 8643.54, 0.00288091/step, 1.61795 hours remaining, 206.242188 MB of memory in use. ENERGY: 2978200 703.6876 2096.8416 1958.7315 108.9892 -206229.4976 18012.8598 0.0000 0.0000 34167.9863 -149180.4016 298.3975 -183348.3878 -149077.4241 298.9660 116.3592 148.9874 558947.0834 -4.5525 -4.6781 PRESSURE: 2978400 18.5668 13.4523 103.054 13.4521 38.3525 95.9024 103.055 95.9039 60.4083 GPRESSURE: 2978400 44.3104 23.8577 210.901 -63.4801 63.9405 147.739 86.1618 7.43836 97.4914 PRESSAVG: 2978400 28.7696 -9.03525 32.0864 -9.03524 -30.9124 -3.28065 32.0864 -3.28065 3.46657 GPRESSAVG: 2978400 26.9239 -9.26086 30.2432 -7.44774 -30.0756 -3.16883 34.0458 -1.99479 4.00002 TIMING: 2978400 CPU: 8644.12, 0.00288834/step Wall: 8644.12, 0.00288834/step, 1.62197 hours remaining, 206.242188 MB of memory in use. ENERGY: 2978400 734.4083 2039.5332 1945.6108 108.9852 -206130.1554 17933.2924 0.0000 0.0000 34368.8495 -148999.4760 300.1517 -183368.3255 -148897.2232 299.4416 39.1092 68.5808 557577.8788 0.4413 0.2828 PRESSURE: 2978600 -346.092 -104.404 104.208 -104.404 -63.8488 77.1811 104.206 77.1811 -124.933 GPRESSURE: 2978600 -302.185 -102.183 126.137 -47.1704 -48.0955 54.2077 121.993 16.8447 -89.0342 PRESSAVG: 2978600 6.01215 -18.1516 -8.20226 -18.1516 -61.6126 -13.2421 -8.20238 -13.2422 27.6513 GPRESSAVG: 2978600 6.46098 -19.2065 -6.97751 -19.8574 -61.3748 -13.8385 -9.22512 -12.8855 26.9883 TIMING: 2978600 CPU: 8644.69, 0.00288896/step Wall: 8644.69, 0.00288896/step, 1.62215 hours remaining, 206.242188 MB of memory in use. ENERGY: 2978600 741.2524 2124.5419 1963.2218 113.8475 -205504.0354 17488.8222 0.0000 0.0000 34230.4921 -148841.8575 298.9434 -183072.3496 -148749.7516 299.4783 -178.2912 -146.4381 559228.2251 -9.3164 -9.3085 PRESSURE: 2978800 -137.874 122.855 -2.9802 122.854 -3.08774 -260.401 -2.97977 -260.402 -156.306 GPRESSURE: 2978800 -146.114 176.035 -69.812 32.4306 15.8187 -219.055 66.2468 -162.902 -76.7846 PRESSAVG: 2978800 -69.1336 1.8925 45.5951 1.89253 24.1479 17.9636 45.5952 17.9637 40.7652 GPRESSAVG: 2978800 -69.2808 4.49911 45.8437 -0.000851906 24.204 21.344 45.067 16.1988 41.1697 TIMING: 2978800 CPU: 8645.28, 0.0029112/step Wall: 8645.28, 0.0029112/step, 1.63448 hours remaining, 206.242188 MB of memory in use. ENERGY: 2978800 758.1045 2014.3067 1973.6879 125.2698 -205937.5403 17812.8436 0.0000 0.0000 34401.5432 -148851.7847 300.4372 -183253.3278 -148759.3585 300.2106 -99.0893 -69.0266 558417.6556 -1.4068 -1.3024 PRESSURE: 2979000 -191.42 15.5196 -202.137 15.5201 -191.136 -68.8053 -202.139 -68.8061 353.503 GPRESSURE: 2979000 -148.022 13.4535 -219.414 -2.34785 -129.158 -67.4752 -199.975 -187.832 347.117 PRESSAVG: 2979000 -22.3117 -26.3012 -16.8898 -26.3013 -24.3951 -27.6964 -16.8898 -27.6965 14.0399 GPRESSAVG: 2979000 -21.6354 -30.5478 -16.6643 -22.7249 -25.0945 -30.529 -18.2639 -26.7652 13.8107 TIMING: 2979000 CPU: 8645.86, 0.00293576/step Wall: 8645.86, 0.00293576/step, 1.6481 hours remaining, 206.242188 MB of memory in use. ENERGY: 2979000 769.0239 2033.6549 1976.8315 117.4028 -206152.3402 17959.6965 0.0000 0.0000 34517.6971 -148778.0335 301.4516 -183295.7306 -148687.7748 300.1417 -9.6842 23.3122 558554.7755 -10.8890 -10.9731 PRESSURE: 2979200 21.2178 -125.197 118.444 -125.197 24.5777 166.132 118.444 166.134 19.4171 GPRESSURE: 2979200 128.598 -219.614 14.366 -44.7251 36.3858 130.173 76.6222 89.5184 -6.03548 PRESSAVG: 2979200 2.36813 9.43209 -15.0415 9.43228 15.3427 12.5095 -15.0416 12.5096 3.86993 GPRESSAVG: 2979200 2.3983 7.27402 -17.184 10.4166 14.7363 11.8337 -13.7168 12.3886 3.9078 TIMING: 2979200 CPU: 8646.45, 0.00292403/step Wall: 8646.45, 0.00292403/step, 1.64136 hours remaining, 206.242188 MB of memory in use. ENERGY: 2979200 728.3621 2115.8172 1986.9835 110.2278 -206068.3432 17912.4474 0.0000 0.0000 34279.9140 -148934.5912 299.3750 -183214.5053 -148842.1034 299.5532 21.7375 52.9827 557907.0417 7.1936 7.0141 PRESSURE: 2979400 51.5132 -65.8144 -27.4775 -65.8139 -15.2425 -53.6216 -27.4785 -53.6211 -35.0012 GPRESSURE: 2979400 71.9234 -58.6127 -94.1231 -61.598 21.3787 -89.0813 -44.7996 -61.109 10.5389 PRESSAVG: 2979400 -45.773 -3.26952 1.43436 -3.26942 -26.2286 -11.4665 1.43438 -11.4664 41.6391 GPRESSAVG: 2979400 -45.672 1.44133 4.64218 -3.84621 -25.8334 -10.4026 1.216 -11.0837 41.2532 TIMING: 2979400 CPU: 8647.03, 0.00292944/step Wall: 8647.03, 0.00292944/step, 1.64423 hours remaining, 206.242188 MB of memory in use. ENERGY: 2979400 674.4160 2073.4734 1980.9290 103.2257 -205918.4662 17720.9265 0.0000 0.0000 34184.3450 -149181.1506 298.5404 -183365.4956 -149082.0785 299.6651 0.4232 34.6137 556563.6154 -10.1208 -10.0841 PRESSURE: 2979600 135.815 73.7979 32.9028 73.7973 -91.2533 54.3291 32.9032 54.3282 -185.263 GPRESSURE: 2979600 119.282 95.2941 29.1246 49.6776 -52.6411 47.0954 57.6359 -21.2171 -117.21 PRESSAVG: 2979600 39.1927 15.7355 -5.3663 15.7355 -22.3698 25.4589 -5.36625 25.4589 -8.34605 GPRESSAVG: 2979600 39.3073 13.2872 -5.27761 15.6139 -22.3763 25.2684 -6.99709 26.4693 -8.67668 TIMING: 2979600 CPU: 8647.61, 0.00289628/step Wall: 8647.61, 0.00289628/step, 1.62546 hours remaining, 206.242188 MB of memory in use. ENERGY: 2979600 743.3045 2116.9910 1946.6496 108.0026 -205663.9955 17441.2787 0.0000 0.0000 34289.7723 -149017.9968 299.4611 -183307.7691 -148929.6348 299.2660 -46.9005 -16.8563 556659.9747 2.8256 2.7514 PRESSURE: 2979800 -296.827 -124.523 -15.2604 -124.524 -270.358 85.7912 -15.2613 85.7903 -285.547 GPRESSURE: 2979800 -287.482 -137.119 55.1835 -183.59 -219.391 117.704 -44.0189 61.9127 -258.962 PRESSAVG: 2979800 34.4048 4.78441 50.5123 4.78445 31.4919 -2.47718 50.5122 -2.47726 -67.341 GPRESSAVG: 2979800 33.4923 4.72375 50.6952 5.62241 32.2258 -3.00676 51.4868 -4.68819 -66.6346 TIMING: 2979800 CPU: 8648.19, 0.00290374/step Wall: 8648.19, 0.00290374/step, 1.62948 hours remaining, 206.242188 MB of memory in use. ENERGY: 2979800 748.7467 2108.7221 1978.0737 113.5330 -205410.3068 17222.6306 0.0000 0.0000 34114.9797 -149123.6209 297.9346 -183238.6006 -149036.4177 298.7682 -284.2441 -255.2779 557638.8733 -0.4814 -0.3055 PRESSURE: 2980000 9.04342 -92.897 -12.3769 -92.8963 -165.941 -87.6266 -12.377 -87.6284 58.5114 GPRESSURE: 2980000 51.1717 -56.2149 76.1864 -97.3241 -102.745 26.3397 -39.7365 -152.112 44.0604 PRESSAVG: 2980000 -45.923 -24.7279 24.2927 -24.7278 27.2041 -11.7297 24.2926 -11.7297 39.6605 GPRESSAVG: 2980000 -45.2899 -22.8751 22.111 -26.6618 27.2555 -11.6226 26.052 -12.5391 39.1133 TIMING: 2980000 CPU: 8648.77, 0.00289198/step Wall: 8648.77, 0.00289198/step, 1.62272 hours remaining, 206.242188 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: 2980000 689.0806 2076.3879 1953.7817 118.3948 -206058.1378 17818.4988 0.0000 0.0000 34348.8113 -149053.1827 299.9767 -183401.9940 -148960.0181 299.5458 -32.7955 -2.5044 557812.0167 6.9805 7.0263 PRESSURE: 2980200 16.3199 40.8904 -119.897 40.8912 -86.18 -216.44 -119.898 -216.441 206.63 GPRESSURE: 2980200 33.7363 0.196092 -43.3811 -82.9877 -10.9362 -255.342 -153.769 -178.969 214.785 PRESSAVG: 2980200 23.5904 14.3063 34.8603 14.3064 19.1323 43.6777 34.8604 43.6777 -51.9446 GPRESSAVG: 2980200 22.7755 14.4774 34.9825 14.1388 18.3565 44.9687 33.9826 43.2651 -50.6053 TIMING: 2980200 CPU: 8649.36, 0.00291913/step Wall: 8649.36, 0.00291913/step, 1.63779 hours remaining, 206.242188 MB of memory in use. ENERGY: 2980200 738.3722 2061.7677 1974.7253 118.3667 -205758.4225 17744.7075 0.0000 0.0000 34193.6906 -148926.7925 298.6220 -183120.4831 -148834.5332 299.0128 45.5899 79.1951 556855.4689 -3.0740 -3.1578 LDB: ============= START OF LOAD BALANCING ============== 8652.82 LDB: ============== END OF LOAD BALANCING =============== 8652.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8652.82 LDB: ============= START OF LOAD BALANCING ============== 8653.12 LDB: Largest compute 4848 load 0.028640 is 24.3% of average load 0.117790 LDB: Average compute 0.001712 is 1.5% of average load 0.117790 LDB: TIME 8653.12 LOAD: AVG 0.11779 MAX 0.177439 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 8653.12 LOAD: AVG 0.11779 MAX 0.177439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: TIME 8653.12 LOAD: AVG 0.11779 MAX 0.177439 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: ============== END OF LOAD BALANCING =============== 8653.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8653.13 PRESSURE: 2980400 194.615 4.61116 31.9416 4.61196 186.558 -33.1809 31.9403 -33.1803 242.805 GPRESSURE: 2980400 201.943 -46.991 34.9807 173.169 200.211 46.9716 -24.9209 -101.155 322.113 PRESSAVG: 2980400 -16.762 -20.3777 -28.3462 -20.3777 -14.589 22.2868 -28.3461 22.2869 44.0863 GPRESSAVG: 2980400 -14.8074 -21.663 -27.6034 -21.624 -14.6178 21.0087 -27.5658 23.9189 42.2178 TIMING: 2980400 CPU: 8649.95, 0.0029688/step Wall: 8649.95, 0.0029688/step, 1.6655 hours remaining, 206.269531 MB of memory in use. ENERGY: 2980400 742.1635 2049.3022 1964.1896 109.5065 -206140.9781 18083.4450 0.0000 0.0000 34237.4052 -148954.9662 299.0038 -183192.3714 -148852.5735 300.0345 207.9926 241.4223 557097.3927 4.2451 4.2642 PRESSURE: 2980600 -5.15407 -2.79459 115.405 -2.7958 -273.635 202.916 115.406 202.915 -132.859 GPRESSURE: 2980600 26.3074 1.82243 131.454 -34.0541 -219.719 215.042 43.0883 146.062 -115.025 PRESSAVG: 2980600 -27.8137 -33.4238 62.7006 -33.4236 33.5309 -47.2983 62.7006 -47.2982 10.8071 GPRESSAVG: 2980600 -29.6634 -31.4575 63.1732 -32.105 33.9348 -47.0114 60.7163 -48.8765 12.1088 TIMING: 2980600 CPU: 8650.53, 0.00292379/step Wall: 8650.53, 0.00292379/step, 1.64008 hours remaining, 206.730469 MB of memory in use. ENERGY: 2980600 751.8545 2083.0731 1971.7561 105.4906 -206081.9094 17652.1048 0.0000 0.0000 34482.3170 -149035.3133 301.1427 -183517.6303 -148930.7288 299.3642 -137.2160 -102.8124 558471.8478 5.5081 5.4601 PRESSURE: 2980800 -123.92 7.68592 -99.401 7.6862 129.465 -241.952 -99.4002 -241.952 227.668 GPRESSURE: 2980800 -139.572 -8.11344 -76.281 -14.6828 166.668 -198.839 -106.287 -257.353 302.339 PRESSAVG: 2980800 -1.17807 -25.7016 -6.83608 -25.7016 21.3645 -29.9173 -6.8361 -29.9173 -11.7475 GPRESSAVG: 2980800 -1.75178 -27.1788 -6.38497 -25.8507 20.9084 -27.2582 -6.15323 -30.3872 -10.9506 TIMING: 2980800 CPU: 8651.12, 0.00290278/step Wall: 8651.12, 0.00290278/step, 1.62814 hours remaining, 206.730469 MB of memory in use. ENERGY: 2980800 717.6210 2166.6100 1949.8792 113.3045 -205837.2536 17759.8342 0.0000 0.0000 34022.6158 -149107.3888 297.1280 -183130.0046 -149016.6907 299.2178 77.7377 109.8116 558585.9344 2.8130 2.7353 PRESSURE: 2981000 -118.521 74.2902 1.39497 74.2897 -8.33237 -117.406 1.39515 -117.405 161.707 GPRESSURE: 2981000 -91.8536 117.873 -18.8049 58.6353 20.9082 -30.7062 -10.8225 -145.626 201.192 PRESSAVG: 2981000 -74.7064 21.0051 1.20371 21.0051 30.7424 -46.9881 1.20378 -46.9881 32.9493 GPRESSAVG: 2981000 -73.2652 21.9708 -0.678735 21.786 30.8094 -48.4159 2.91891 -47.0867 31.3216 TIMING: 2981000 CPU: 8651.7, 0.00290414/step Wall: 8651.7, 0.00290414/step, 1.62874 hours remaining, 206.730469 MB of memory in use. ENERGY: 2981000 745.5446 2061.5445 1965.3266 103.6212 -205830.6404 17702.9935 0.0000 0.0000 34146.3134 -149105.2966 298.2082 -183251.6101 -149010.8922 298.7270 11.6180 43.4156 557065.8593 -3.6716 -3.7114 PRESSURE: 2981200 192.089 154.037 -68.1817 154.036 133.287 10.5125 -68.1811 10.5118 -158.574 GPRESSURE: 2981200 177.344 57.4293 -27.3239 163.947 191.465 0.291242 -79.1349 69.9287 -100.703 PRESSAVG: 2981200 -55.6306 30.8522 27.6321 30.8522 19.905 -32.677 27.6321 -32.6769 32.4327 GPRESSAVG: 2981200 -56.5471 28.362 26.0055 30.6429 21.2008 -34.2708 26.6675 -30.8915 31.9913 TIMING: 2981200 CPU: 8652.28, 0.00292397/step Wall: 8652.28, 0.00292397/step, 1.6397 hours remaining, 206.730469 MB of memory in use. ENERGY: 2981200 722.1216 2099.6169 1934.0324 118.5455 -206350.3671 17943.2664 0.0000 0.0000 34241.1575 -149291.6268 299.0365 -183532.7843 -149195.6378 298.8641 55.6006 89.3686 557481.0972 -1.0976 -1.1183 PRESSURE: 2981400 49.8092 72.358 83.9967 72.3573 -118.331 -16.7389 83.995 -16.7389 -87.1439 GPRESSURE: 2981400 81.5455 66.9524 20.925 48.2282 -100.745 6.27795 80.0831 -24.8984 -33.7368 PRESSAVG: 2981400 85.5859 28.4661 -16.8362 28.4661 -15.0275 -27.3859 -16.8362 -27.3858 -9.92589 GPRESSAVG: 2981400 86.6283 30.7783 -16.2808 26.9752 -16.9758 -24.9581 -16.2114 -28.1778 -9.43746 TIMING: 2981400 CPU: 8652.86, 0.00291832/step Wall: 8652.86, 0.00291832/step, 1.63637 hours remaining, 206.730469 MB of memory in use. ENERGY: 2981400 701.7482 2101.5702 1965.5116 101.8419 -205953.5682 17668.4545 0.0000 0.0000 34140.0813 -149274.3606 298.1538 -183414.4418 -149177.7654 298.7535 -51.8884 -17.6455 556877.0068 20.2108 20.0717 PRESSURE: 2981600 -24.1949 -75.7429 78.801 -75.7432 -9.34261 -172.23 78.8009 -172.231 46.2122 GPRESSURE: 2981600 40.3937 -36.6094 60.0369 -90.0297 3.24006 -183.246 68.9724 -184.433 64.3221 PRESSAVG: 2981600 16.3496 14.0847 -55.3035 14.0846 -2.13069 19.4056 -55.3036 19.4054 -3.0898 GPRESSAVG: 2981600 16.1985 14.7233 -53.95 13.637 -1.76767 18.4807 -57.8386 19.6461 -3.13623 TIMING: 2981600 CPU: 8653.44, 0.00290105/step Wall: 8653.44, 0.00290105/step, 1.62652 hours remaining, 206.789062 MB of memory in use. ENERGY: 2981600 731.3002 2068.0305 1986.7681 118.3005 -206395.4057 17885.2858 0.0000 0.0000 34380.6110 -149225.1096 300.2544 -183605.7206 -149137.7545 299.0488 4.2249 35.9853 556020.8839 3.7097 3.7649 PRESSURE: 2981800 -235.931 4.31502 -97.1261 4.31327 42.6347 31.9686 -97.1257 31.9693 -168.997 GPRESSURE: 2981800 -196.528 2.11811 -97.6848 -25.8307 53.4022 -20.9072 -82.665 28.6949 -109.836 PRESSAVG: 2981800 23.5368 -13.9106 32.6446 -13.9106 -23.7849 -26.4226 32.6446 -26.4227 -12.8062 GPRESSAVG: 2981800 22.9562 -14.7027 33.8792 -11.824 -23.8979 -26.8571 33.1737 -26.0689 -12.4343 TIMING: 2981800 CPU: 8654.02, 0.00288035/step Wall: 8654.02, 0.00288035/step, 1.61476 hours remaining, 206.789062 MB of memory in use. ENERGY: 2981800 702.7258 2061.7425 2002.2136 116.0238 -205512.4647 17559.0755 0.0000 0.0000 33973.7486 -149096.9349 296.7012 -183070.6835 -148997.1242 299.5191 -120.7644 -84.3209 558743.2307 -4.3514 -4.4587 PRESSURE: 2982000 -436.432 -53.0553 27.3848 -53.0561 -140.394 -72.5047 27.3844 -72.5034 56.9192 GPRESSURE: 2982000 -421.607 25.3592 39.749 -87.5275 -151.306 -127.28 66.518 6.61369 133.038 PRESSAVG: 2982000 -12.1206 44.3259 18.7532 44.3259 -22.7046 -8.96543 18.7532 -8.96557 16.089 GPRESSAVG: 2982000 -11.3384 44.228 17.34 43.1557 -22.979 -9.50795 20.7194 -6.65156 16.0155 TIMING: 2982000 CPU: 8654.6, 0.00289496/step Wall: 8654.6, 0.00289496/step, 1.62279 hours remaining, 206.789062 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: 2982000 732.0955 2056.0866 1958.8251 102.2872 -205993.6064 17653.6759 0.0000 0.0000 34460.4391 -149030.1970 300.9516 -183490.6361 -148934.4650 299.1791 -173.3023 -146.6250 558275.2646 -6.2454 -6.1006 PRESSURE: 2982200 -129.883 15.8766 29.8627 15.8777 -53.5446 -80.1217 29.8623 -80.1208 -66.8098 GPRESSURE: 2982200 -62.9393 -38.2749 20.3617 61.1874 -70.1944 -112.791 -12.0246 -121.416 -17.1878 PRESSAVG: 2982200 -68.0144 24.4097 5.25447 24.4098 66.7817 -2.22444 5.25447 -2.22452 1.46896 GPRESSAVG: 2982200 -67.7302 22.3077 3.96618 26.8772 67.2324 -2.03742 6.52309 -3.42069 1.49988 TIMING: 2982200 CPU: 8655.18, 0.00291606/step Wall: 8655.18, 0.00291606/step, 1.63445 hours remaining, 206.789062 MB of memory in use. ENERGY: 2982200 733.2202 2091.6454 1981.3688 101.0331 -205869.7694 17688.6655 0.0000 0.0000 34288.3949 -148985.4413 299.4491 -183273.8363 -148879.5371 299.7349 -83.4125 -50.1072 559083.4337 0.0788 0.3340 PRESSURE: 2982400 328.447 -175.754 -190.851 -175.756 151.97 -111.464 -190.85 -111.465 175.885 GPRESSURE: 2982400 309.853 -92.4983 -191.441 -150.134 179.978 -1.89986 -142.111 -168.604 252.797 PRESSAVG: 2982400 -21.5374 -7.90222 -31.41 -7.90227 0.887432 4.61706 -31.41 4.61706 4.70549 GPRESSAVG: 2982400 -22.2611 -6.10623 -31.6361 -9.6293 0.981076 5.0237 -32.0268 5.24838 4.63161 TIMING: 2982400 CPU: 8655.76, 0.00290284/step Wall: 8655.76, 0.00290284/step, 1.62688 hours remaining, 206.789062 MB of memory in use. ENERGY: 2982400 743.0390 2065.5207 1978.9484 122.9299 -206206.0134 18031.7937 0.0000 0.0000 34201.7319 -149062.0498 298.6922 -183263.7817 -148974.4910 299.8704 218.7673 247.5429 557423.8103 -5.3148 -5.5495 PRESSURE: 2982600 -75.0988 -84.4882 393.994 -84.4885 -61.6625 -67.7172 393.995 -67.717 -167.947 GPRESSURE: 2982600 -19.7989 -19.1221 276.695 -131.206 -8.09717 -108.497 405.852 24.6035 -175.25 PRESSAVG: 2982600 -8.43285 6.61136 -14.3225 6.61135 24.3977 -27.4308 -14.3225 -27.4308 19.277 GPRESSAVG: 2982600 -8.7346 8.65886 -12.9851 6.20159 24.7302 -26.5386 -13.7451 -27.2871 19.0983 TIMING: 2982600 CPU: 8656.34, 0.00289476/step Wall: 8656.34, 0.00289476/step, 1.62219 hours remaining, 206.789062 MB of memory in use. ENERGY: 2982600 768.6766 2070.1023 1950.1706 103.3518 -206079.0525 17729.9755 0.0000 0.0000 34359.6725 -149097.1032 300.0716 -183456.7756 -149007.1552 300.0068 -101.5695 -67.7154 558806.7835 11.7473 11.6980 PRESSURE: 2982800 -154.732 -120.22 -7.6251 -120.221 189.384 0.273341 -7.62631 0.272741 85.8304 GPRESSURE: 2982800 -148.622 -195.646 10.1273 -44.161 229.52 64.1103 -37.6258 -31.0161 139.607 PRESSAVG: 2982800 -67.1932 -21.5059 22.9656 -21.5059 40.3534 40.3056 22.9655 40.3055 13.875 GPRESSAVG: 2982800 -67.7629 -22.7248 22.8556 -20.3545 41.5873 40.4294 21.0858 38.9602 13.3915 TIMING: 2982800 CPU: 8656.92, 0.00290267/step Wall: 8656.92, 0.00290267/step, 1.62646 hours remaining, 206.789062 MB of memory in use. ENERGY: 2982800 750.8443 2119.3279 1953.3296 115.2707 -206291.2337 17997.3468 0.0000 0.0000 34104.7739 -149250.3406 297.8455 -183355.1144 -149149.2840 299.0060 40.1610 73.5015 558338.9482 -4.3216 -4.2614 PRESSURE: 2983000 -18.2999 38.6532 -92.9246 38.6525 -63.4017 76.3469 -92.9241 76.3441 -110.525 GPRESSURE: 2983000 -44.774 36.6605 -92.0322 96.7044 1.40714 50.9921 -53.4476 120.216 -63.802 PRESSAVG: 2983000 -9.80433 -75.4274 0.821251 -75.4274 7.57068 9.95474 0.821201 9.95461 21.3033 GPRESSAVG: 2983000 -8.61683 -75.9342 1.4778 -76.5414 6.65214 9.49492 1.16578 9.7777 21.1318 TIMING: 2983000 CPU: 8657.51, 0.00292343/step Wall: 8657.51, 0.00292343/step, 1.63793 hours remaining, 206.789062 MB of memory in use. ENERGY: 2983000 729.1347 2101.0201 1956.4203 102.3075 -206222.8597 17707.8722 0.0000 0.0000 34245.6016 -149380.5033 299.0754 -183626.1049 -149283.4511 298.9671 -64.0757 -35.7229 558313.9696 6.3566 6.3890 PRESSURE: 2983200 -73.8541 -128.157 121.338 -128.157 -4.34453 84.7709 121.337 84.7704 -195.43 GPRESSURE: 2983200 -89.8153 -167.542 128.149 -134.025 37.0019 86.4036 112.489 70.5152 -126.581 PRESSAVG: 2983200 39.4831 -52.5547 16.8996 -52.5546 -0.0206253 -22.0939 16.8996 -22.0939 -22.2295 GPRESSAVG: 2983200 39.707 -52.0802 16.4984 -51.0825 -0.788049 -20.3344 17.3871 -23.5033 -22.3602 TIMING: 2983200 CPU: 8658.09, 0.00292046/step Wall: 8658.09, 0.00292046/step, 1.63611 hours remaining, 206.789062 MB of memory in use. ENERGY: 2983200 687.0420 2096.1704 1960.7133 113.4702 -206180.1939 17607.8293 0.0000 0.0000 34213.7918 -149501.1768 298.7976 -183714.9686 -149412.6627 298.4711 -91.2096 -59.7981 557090.7306 5.7443 5.5196 PRESSURE: 2983400 -16.7732 22.2989 22.3954 22.3002 152.277 188.671 22.3936 188.671 27.1478 GPRESSURE: 2983400 0.950432 3.04435 89.4867 15.012 160.334 151.637 41.6267 201.83 102.218 PRESSAVG: 2983400 53.27 -1.08368 9.98331 -1.08371 -30.8992 -3.10831 9.98333 -3.10831 13.8001 GPRESSAVG: 2983400 52.5223 -1.72168 10.7849 -2.44368 -30.8616 -2.84158 7.91299 -2.73957 14.5223 TIMING: 2983400 CPU: 8658.68, 0.00291989/step Wall: 8658.68, 0.00291989/step, 1.63563 hours remaining, 206.789062 MB of memory in use. ENERGY: 2983400 716.4685 2004.4863 1957.9979 113.9717 -206198.9373 17822.6876 0.0000 0.0000 34221.2235 -149362.1017 298.8625 -183583.3252 -149267.5937 298.3442 54.2171 87.8340 556684.5095 12.0570 12.0610 PRESSURE: 2983600 121.526 72.6135 22.1708 72.6129 185.069 -6.51171 22.1694 -6.51095 117.578 GPRESSURE: 2983600 183.884 153.039 34.4663 14.0102 227.388 63.0578 46.0163 -16.246 101.3 PRESSAVG: 2983600 20.9957 46.9312 22.8302 46.9311 -8.202 -58.3512 22.8301 -58.3512 10.991 GPRESSAVG: 2983600 21.2503 49.9856 24.1782 46.1573 -8.08957 -61.0763 23.4478 -56.2552 10.9242 TIMING: 2983600 CPU: 8659.26, 0.00291959/step Wall: 8659.26, 0.00291959/step, 1.63529 hours remaining, 206.789062 MB of memory in use. ENERGY: 2983600 717.4416 2053.2174 1973.9726 114.1755 -206437.5891 17943.1743 0.0000 0.0000 34302.0528 -149333.5550 299.5684 -183635.6078 -149241.7934 299.0514 141.3910 170.8575 556628.6127 7.9282 8.0283 PRESSURE: 2983800 188.287 -139.528 -9.50072 -139.53 48.0828 141.007 -9.502 141.006 108.12 GPRESSURE: 2983800 202.03 -117.325 -132.572 -216.892 124.464 146.026 90.5007 178.995 113.629 PRESSAVG: 2983800 -54.4247 -5.04641 7.05025 -5.04643 23.4043 1.5808 7.05031 1.58092 16.9558 GPRESSAVG: 2983800 -53.4748 -5.97769 5.66135 -2.91687 23.1133 3.25441 7.37307 1.66813 17.1449 TIMING: 2983800 CPU: 8659.84, 0.00289162/step Wall: 8659.84, 0.00289162/step, 1.61947 hours remaining, 206.789062 MB of memory in use. ENERGY: 2983800 723.9356 2012.4017 1984.8977 109.2181 -206486.6509 18049.1691 0.0000 0.0000 34156.7580 -149450.2707 298.2995 -183607.0287 -149359.0496 298.9537 114.8299 146.7076 556596.7879 -4.6882 -4.4055 PRESSURE: 2984000 -161.176 79.7859 32.3499 79.7865 -93.957 171.71 32.3497 171.709 -32.3221 GPRESSURE: 2984000 -81.4073 120.447 -45.9524 19.5862 -49.2263 154.299 165.567 204.166 -57.2166 PRESSAVG: 2984000 -18.924 17.6117 -0.345447 17.6117 18.03 -5.19443 -0.345336 -5.19439 11.9323 GPRESSAVG: 2984000 -19.042 15.8247 -1.02923 18.5414 19.1804 -1.68002 2.23094 -7.9683 11.5811 TIMING: 2984000 CPU: 8660.41, 0.0028814/step Wall: 8660.41, 0.0028814/step, 1.61358 hours remaining, 206.789062 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: 2984000 732.0330 2059.1381 1993.8816 119.5189 -206287.3609 17778.9958 0.0000 0.0000 34251.9157 -149351.8776 299.1305 -183603.7934 -149252.4076 298.3738 -95.8183 -62.6167 557624.7851 3.6794 3.9065 PRESSURE: 2984200 16.4816 171.233 138.709 171.233 -62.399 40.7943 138.708 40.7949 96.06 GPRESSURE: 2984200 64.339 136.749 113.163 156.701 -23.6918 -114.985 98.3332 27.3714 100.35 PRESSAVG: 2984200 29.3107 46.3532 31.5454 46.3532 14.6145 -16.5212 31.5455 -16.5212 -17.7706 GPRESSAVG: 2984200 30.3762 46.9173 33.0559 47.5078 13.4882 -19.681 27.7474 -14.6039 -17.7735 TIMING: 2984200 CPU: 8661, 0.0029138/step Wall: 8661, 0.0029138/step, 1.63157 hours remaining, 206.789062 MB of memory in use. ENERGY: 2984200 755.4176 2120.6779 1968.8724 114.2578 -206875.6335 17997.5282 0.0000 0.0000 34479.6534 -149439.2262 301.1194 -183918.8796 -149349.1493 299.5061 16.7142 46.9992 556513.5822 8.7182 8.6970 LDB: ============= START OF LOAD BALANCING ============== 8664.47 LDB: ============== END OF LOAD BALANCING =============== 8664.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8664.47 LDB: ============= START OF LOAD BALANCING ============== 8664.76 LDB: Largest compute 4820 load 0.027509 is 23.4% of average load 0.117796 LDB: Average compute 0.001706 is 1.4% of average load 0.117796 LDB: TIME 8664.76 LOAD: AVG 0.117796 MAX 0.176872 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.816 MB LDB: TIME 8664.76 LOAD: AVG 0.117796 MAX 0.176872 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.816 MB LDB: TIME 8664.76 LOAD: AVG 0.117796 MAX 0.176872 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8664.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8664.77 PRESSURE: 2984400 35.1816 33.6598 8.18037 33.6594 -20.1095 -100.408 8.18139 -100.408 -105.518 GPRESSURE: 2984400 60.1201 55.4953 21.8967 -23.7187 34.7368 -110.703 -4.23653 -55.9736 -105.716 PRESSAVG: 2984400 -101.724 -32.1791 25.8061 -32.1789 62.6593 -13.8275 25.806 -13.8275 61.267 GPRESSAVG: 2984400 -103.231 -32.4912 21.6532 -33.5391 63.1857 -13.1253 30.002 -14.7842 61.6572 TIMING: 2984400 CPU: 8661.59, 0.00298191/step Wall: 8661.59, 0.00298191/step, 1.66954 hours remaining, 206.878906 MB of memory in use. ENERGY: 2984400 721.9330 2146.7405 1968.7779 116.8528 -206258.9429 17784.9167 0.0000 0.0000 34035.8067 -149483.9155 297.2432 -183519.7221 -149388.4450 299.3653 -30.1486 -3.6196 557996.7872 7.4007 7.2041 PRESSURE: 2984600 115.868 -105.845 -85.4684 -105.845 -90.2795 -115.109 -85.4694 -115.108 -133.599 GPRESSURE: 2984600 116.605 -114.291 -106.399 -89.0797 -13.9406 -160.803 -114.287 -99.107 -112.493 PRESSAVG: 2984600 -18.7822 -25.4146 -20.5474 -25.4146 12.56 -32.9656 -20.5473 -32.9656 2.35088 GPRESSAVG: 2984600 -18.5553 -25.0509 -17.5767 -26.2781 14.2917 -34.0339 -24.1433 -31.8154 1.17231 TIMING: 2984600 CPU: 8662.18, 0.00293032/step Wall: 8662.18, 0.00293032/step, 1.64049 hours remaining, 207.082031 MB of memory in use. ENERGY: 2984600 707.9537 2105.5105 1952.2997 116.3265 -206313.0982 17651.1531 0.0000 0.0000 34460.2074 -149319.6474 300.9496 -183779.8547 -149225.4690 297.8972 -36.0036 -3.2762 557631.4051 -1.2904 -1.0304 PRESSURE: 2984800 -126.488 83.9094 -13.0066 83.9086 289.967 -155.812 -13.0082 -155.812 183.527 GPRESSURE: 2984800 -41.3194 78.3103 27.6003 96.8356 271.187 -64.6529 -73.8897 -155.448 203.94 PRESSAVG: 2984800 -10.6751 19.8592 -22.9569 19.8593 -50.8934 -14.8806 -22.9568 -14.8806 103.413 GPRESSAVG: 2984800 -8.89058 19.2316 -24.2515 21.5093 -53.0947 -13.0125 -21.8577 -16.7604 103.819 TIMING: 2984800 CPU: 8662.76, 0.00291176/step Wall: 8662.76, 0.00291176/step, 1.62994 hours remaining, 207.343750 MB of memory in use. ENERGY: 2984800 746.9810 2110.9964 1927.5221 102.4799 -206930.9455 18068.6733 0.0000 0.0000 34746.5982 -149227.6947 303.4507 -183974.2929 -149126.6165 299.2317 115.6688 144.6025 556458.9183 13.9482 13.9445 PRESSURE: 2985000 -73.0168 -63.1671 125.663 -63.1688 -154.371 56.4162 125.662 56.4168 -176.437 GPRESSURE: 2985000 -27.4339 -71.953 207.428 -21.8273 -92.1468 35.842 133.253 101.42 -197.29 PRESSAVG: 2985000 5.50651 -29.3104 -9.64667 -29.3104 -48.8371 42.4371 -9.64675 42.437 54.0205 GPRESSAVG: 2985000 4.85018 -29.752 -9.17225 -29.4826 -48.0157 40.2202 -7.71395 44.8062 54.0856 TIMING: 2985000 CPU: 8663.35, 0.00292396/step Wall: 8663.35, 0.00292396/step, 1.63661 hours remaining, 207.343750 MB of memory in use. ENERGY: 2985000 742.6015 2115.9803 1979.2982 111.8731 -206046.5794 17635.4826 0.0000 0.0000 34181.4500 -149279.8938 298.5151 -183461.3437 -149178.6997 299.5325 -134.6082 -105.6234 557072.1710 3.5633 3.6400 PRESSURE: 2985200 349.399 -123.895 -154.546 -123.895 206.542 -34.4502 -154.546 -34.4502 -281.747 GPRESSURE: 2985200 351.385 -107.959 -103.407 -108.638 214.085 -97.6947 -50.931 15.3221 -201.475 PRESSAVG: 2985200 -5.48266 -35.2974 -89.7676 -35.2975 -50.5385 40.4299 -89.7675 40.4299 44.1841 GPRESSAVG: 2985200 -5.93857 -32.4489 -90.5355 -35.6725 -50.5232 42.6687 -90.3561 39.4015 44.9453 TIMING: 2985200 CPU: 8663.93, 0.00290333/step Wall: 8663.93, 0.00290333/step, 1.6249 hours remaining, 207.343750 MB of memory in use. ENERGY: 2985200 778.8251 2123.3349 1963.6140 133.9785 -206788.8486 18167.0079 0.0000 0.0000 34243.9973 -149378.0908 299.0613 -183622.0881 -149289.2612 298.9119 91.3983 121.3319 557931.4939 -3.9457 -3.8388 PRESSURE: 2985400 -6.1819 -216.975 -74.8323 -216.976 106.944 -67.0294 -74.8333 -67.0301 40.7901 GPRESSURE: 2985400 9.7845 -220.369 -170.013 -211.129 143.107 -6.20278 -59.944 -167.022 106.735 PRESSAVG: 2985400 13.9827 -43.8875 -47.5078 -43.8875 -41.8988 30.4379 -47.5078 30.4378 20.1544 GPRESSAVG: 2985400 14.3794 -46.6902 -46.2398 -42.9915 -41.94 31.2303 -46.7046 30.2335 20.2748 TIMING: 2985400 CPU: 8664.51, 0.00290028/step Wall: 8664.51, 0.00290028/step, 1.62303 hours remaining, 207.343750 MB of memory in use. ENERGY: 2985400 723.0142 2107.4027 1961.7288 103.2880 -206461.4444 17990.9575 0.0000 0.0000 34047.7315 -149527.3217 297.3473 -183575.0532 -149425.0148 298.2995 47.1839 86.5422 557669.1696 -2.5872 -2.4286 PRESSURE: 2985600 -410.661 40.471 -73.93 40.4712 -167.744 34.9565 -73.9294 34.957 -179.341 GPRESSURE: 2985600 -405.129 17.3538 -130.362 -54.9297 -142.751 -27.9509 24.6861 83.8271 -124.691 PRESSAVG: 2985600 -48.8582 -26.5549 -5.01007 -26.5549 38.5496 -16.0432 -5.01004 -16.0433 -30.9094 GPRESSAVG: 2985600 -49.5755 -25.0283 -5.45868 -28.9203 39.5223 -19.5013 -4.4207 -13.226 -31.2435 TIMING: 2985600 CPU: 8665.09, 0.00289332/step Wall: 8665.09, 0.00289332/step, 1.61897 hours remaining, 207.343750 MB of memory in use. ENERGY: 2985600 769.6160 2127.8955 1977.4670 118.7326 -205940.1963 17436.2479 0.0000 0.0000 34090.9896 -149419.2478 297.7251 -183510.2374 -149316.0534 298.6309 -252.5819 -224.1903 559379.5787 -13.7393 -13.7656 PRESSURE: 2985800 -162.597 24.1569 37.6959 24.157 -380.935 -20.6978 37.6959 -20.6965 -204.503 GPRESSURE: 2985800 -160.337 1.01443 20.2801 55.8758 -294.801 -10.6355 36.2317 -100.6 -192.374 PRESSAVG: 2985800 -53.4615 9.85837 -22.7794 9.85838 -20.4867 43.3117 -22.7793 43.3117 25.6312 GPRESSAVG: 2985800 -53.1988 11.2813 -22.6266 8.58538 -21.3579 44.2943 -24.5758 41.7435 26.3073 TIMING: 2985800 CPU: 8665.67, 0.00290938/step Wall: 8665.67, 0.00290938/step, 1.6278 hours remaining, 207.343750 MB of memory in use. ENERGY: 2985800 711.3009 2190.5000 1973.6903 113.8299 -205912.5178 17337.0813 0.0000 0.0000 34222.6753 -149363.4402 298.8751 -183586.1154 -149262.5242 299.0825 -249.3452 -215.8377 557095.2477 -16.1056 -16.0831 PRESSURE: 2986000 61.3 83.1001 35.5837 83.0999 31.7367 -60.3386 35.5828 -60.3387 -115.088 GPRESSURE: 2986000 52.3851 77.2775 11.5357 94.316 97.0692 -47.5932 166.406 -82.1585 -67.6767 PRESSAVG: 2986000 -33.2846 -2.20978 38.1889 -2.20969 19.6936 42.5941 38.189 42.594 9.54896 GPRESSAVG: 2986000 -33.7677 -5.24541 38.7142 -0.246105 19.9907 43.6194 38.9515 41.2643 9.51687 TIMING: 2986000 CPU: 8666.25, 0.00289397/step Wall: 8666.25, 0.00289397/step, 1.61901 hours remaining, 207.343750 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: 2986000 758.9128 2108.7203 1979.6113 128.4106 -206611.8796 17845.1404 0.0000 0.0000 34333.5380 -149457.5462 299.8433 -183791.0842 -149354.2101 299.3946 -7.3505 27.2592 555202.4290 -1.3474 -1.4200 PRESSURE: 2986200 111.43 6.7359 104.676 6.73495 -63.9454 120.895 104.675 120.894 -75.099 GPRESSURE: 2986200 96.4122 -9.40247 127.622 -1.91955 -22.8552 79.765 100.899 44.7814 1.4657 PRESSAVG: 2986200 12.5017 57.393 37.7138 57.393 -14.7306 2.72994 37.7138 2.72995 7.37299 GPRESSAVG: 2986200 13.4668 57.1491 38.1244 58.5781 -15.1482 -0.342954 35.6925 4.86819 7.10045 TIMING: 2986200 CPU: 8666.83, 0.00289477/step Wall: 8666.83, 0.00289477/step, 1.6193 hours remaining, 207.343750 MB of memory in use. ENERGY: 2986200 742.5099 2116.1807 1976.3425 98.7060 -206177.8127 17675.8601 0.0000 0.0000 34126.8468 -149441.3667 298.0382 -183568.2135 -149347.9304 298.9205 -9.2048 25.0076 556093.7261 1.7147 1.8063 PRESSURE: 2986400 148.998 27.5624 182.414 27.5611 261.499 138.056 182.414 138.057 -70.0768 GPRESSURE: 2986400 168.611 -75.9515 168.026 88.4589 253.061 150.923 112.476 171.01 19.8344 PRESSAVG: 2986400 1.51321 1.08479 33.6604 1.08475 -21.2436 -35.1036 33.6603 -35.1036 17.6356 GPRESSAVG: 2986400 1.78349 2.49641 34.1789 0.586802 -21.9835 -33.4035 33.9414 -34.8769 18.5916 TIMING: 2986400 CPU: 8667.4, 0.00289518/step Wall: 8667.4, 0.00289518/step, 1.61937 hours remaining, 207.343750 MB of memory in use. ENERGY: 2986400 736.0295 2106.6319 1978.3578 112.5536 -206729.1685 18186.6040 0.0000 0.0000 34147.9325 -149461.0591 298.2224 -183608.9917 -149356.4184 298.2307 113.4732 147.1689 556285.3930 -0.6983 -0.5362 PRESSURE: 2986600 -57.7619 10.2535 200.611 10.2534 45.8036 28.2624 200.61 28.261 70.9993 GPRESSURE: 2986600 6.19288 -35.7286 227.755 43.3907 52.8328 7.77294 121.947 35.3526 100.994 PRESSAVG: 2986600 22.33 -14.9304 -30.0152 -14.9304 35.7147 -16.8154 -30.0152 -16.8154 -10.6512 GPRESSAVG: 2986600 22.2405 -14.8918 -30.8875 -13.9076 36.2752 -16.8075 -30.6744 -17.8184 -11.1049 TIMING: 2986600 CPU: 8667.98, 0.00289252/step Wall: 8667.98, 0.00289253/step, 1.61772 hours remaining, 207.343750 MB of memory in use. ENERGY: 2986600 724.9614 2099.8367 1949.7924 120.1550 -206456.9318 17872.7938 0.0000 0.0000 34336.8032 -149352.5893 299.8718 -183689.3924 -149252.2587 298.9531 19.6803 53.3398 557132.2750 15.7978 15.8036 PRESSURE: 2986800 160.95 147.934 -86.1952 147.935 -60.721 -14.3184 -86.1964 -14.3185 33.3999 GPRESSURE: 2986800 176.681 153.307 -44.724 136.556 -44.7173 42.6929 -138.016 -9.83515 112.668 PRESSAVG: 2986800 41.6472 -23.7638 51.4738 -23.7638 16.5535 -51.858 51.4738 -51.858 -41.6462 GPRESSAVG: 2986800 40.7846 -24.5787 51.4994 -23.4001 17.8729 -51.546 51.9372 -50.6786 -42.3112 TIMING: 2986800 CPU: 8668.56, 0.00289277/step Wall: 8668.56, 0.00289277/step, 1.6177 hours remaining, 207.343750 MB of memory in use. ENERGY: 2986800 762.9845 2016.0738 1967.8712 111.0050 -206243.7747 17895.6670 0.0000 0.0000 34132.9704 -149357.2027 298.0917 -183490.1731 -149263.6117 298.6003 44.5429 81.5439 557576.7293 5.5181 5.4488 PRESSURE: 2987000 36.0057 -83.5453 -44.7388 -83.5447 3.3661 212.91 -44.7397 212.909 -80.1596 GPRESSURE: 2987000 72.9311 -149.964 -86.9041 -75.9094 3.18601 193.161 -3.14469 192.181 -12.2369 PRESSAVG: 2987000 12.6391 -20.7188 44.6589 -20.7189 60.6366 58.9654 44.6589 58.9656 9.17885 GPRESSAVG: 2987000 14.0641 -18.3382 46.161 -23.6922 59.6693 59.4689 44.4692 57.2206 9.28426 TIMING: 2987000 CPU: 8669.14, 0.00290233/step Wall: 8669.14, 0.00290233/step, 1.62288 hours remaining, 207.343750 MB of memory in use. ENERGY: 2987000 756.2587 2099.1644 1952.0216 113.2845 -206512.9774 17968.2420 0.0000 0.0000 34289.8552 -149334.1511 299.4618 -183624.0062 -149242.8303 299.0868 -13.5959 21.2934 556681.0334 27.4849 27.6725 PRESSURE: 2987200 -159.496 -37.1139 87.5148 -37.1136 -389.805 -43.5579 87.5144 -43.5577 -59.3257 GPRESSURE: 2987200 -129.928 -23.4366 68.7777 -5.81361 -335.16 -76.2948 96.9487 -46.0966 -45.8533 PRESSAVG: 2987200 -22.6343 -30.1443 3.43641 -30.1444 -18.0885 2.92229 3.43644 2.92214 19.3688 GPRESSAVG: 2987200 -22.7864 -33.0644 3.37601 -28.496 -18.2643 1.49284 0.473664 4.4428 19.6174 TIMING: 2987200 CPU: 8669.72, 0.00291333/step Wall: 8669.72, 0.00291333/step, 1.62888 hours remaining, 207.480469 MB of memory in use. ENERGY: 2987200 720.8649 2032.1902 1939.3165 111.4477 -205925.5320 17402.6244 0.0000 0.0000 34392.4942 -149326.5941 300.3582 -183719.0883 -149223.3602 299.4277 -202.8757 -170.3138 557862.6250 -7.1180 -7.1445 PRESSURE: 2987400 -228.928 -150.279 -72.5499 -150.278 120.032 183.539 -72.5502 183.541 -265.568 GPRESSURE: 2987400 -181.255 -181.5 -201.376 -77.3629 103.356 135.976 -60.8964 223.321 -197.159 PRESSAVG: 2987400 -4.82878 31.1364 30.7673 31.1363 -0.802025 -39.3552 30.7673 -39.3551 -18.4752 GPRESSAVG: 2987400 -5.42669 31.9712 26.4465 32.1104 0.410846 -38.9211 34.6261 -39.6243 -18.6226 TIMING: 2987400 CPU: 8670.31, 0.00292131/step Wall: 8670.31, 0.00292131/step, 1.63317 hours remaining, 207.480469 MB of memory in use. ENERGY: 2987400 786.2566 2061.8501 1968.8655 129.2937 -206083.8312 17651.0178 0.0000 0.0000 34148.3785 -149338.1689 298.2263 -183486.5474 -149242.0389 298.7361 -124.8212 -91.6860 558519.5012 -8.0353 -7.8795 PRESSURE: 2987600 -111.854 97.2892 -114.328 97.2885 -3.16883 57.9161 -114.329 57.9164 -41.396 GPRESSURE: 2987600 -92.7517 43.6454 -205.1 83.1665 48.8294 12.1424 -50.372 54.5672 -27.3943 PRESSAVG: 2987600 9.27317 23.4019 1.40182 23.4019 -40.3611 12.5957 1.40183 12.5958 34.1023 GPRESSAVG: 2987600 9.7062 23.297 5.95058 21.9644 -41.7052 12.8402 -0.785122 12.4257 35.0112 TIMING: 2987600 CPU: 8670.9, 0.0029377/step Wall: 8670.9, 0.0029377/step, 1.64218 hours remaining, 207.480469 MB of memory in use. ENERGY: 2987600 779.5640 2086.5054 1973.1345 116.0756 -206426.1935 17886.1858 0.0000 0.0000 34184.0987 -149400.6295 298.5382 -183584.7282 -149306.9386 298.7481 -52.1397 -23.7722 559500.1400 1.0048 1.0041 PRESSURE: 2987800 -238.562 86.3542 170.66 86.3543 -209.682 75.7647 170.659 75.7632 -141.934 GPRESSURE: 2987800 -175.106 150.5 180.883 60.6093 -179.712 96.2775 129.954 90.3016 -128.709 PRESSAVG: 2987800 -17.637 57.0247 -25.4494 57.0248 -40.0849 32.3745 -25.4496 32.3744 13.3023 GPRESSAVG: 2987800 -17.1737 58.0832 -26.8833 54.8476 -39.2059 31.9587 -23.8441 31.1292 12.0738 TIMING: 2987800 CPU: 8671.48, 0.00293301/step Wall: 8671.48, 0.00293301/step, 1.63939 hours remaining, 207.480469 MB of memory in use. ENERGY: 2987800 797.3805 2135.4865 1954.8067 118.1148 -206091.3122 17644.9780 0.0000 0.0000 34092.3141 -149348.2315 297.7367 -183440.5456 -149252.9636 298.7000 -196.7261 -161.1756 558485.4147 -14.8065 -14.7686 PRESSURE: 2988000 228.848 146.481 -91.01 146.479 68.1272 -161.377 -91.0108 -161.376 -124.912 GPRESSURE: 2988000 237.195 177.426 -77.0155 157.409 96.338 -173.856 -145.814 -221.051 -64.27 PRESSAVG: 2988000 -0.113454 -12.5401 -29.4417 -12.5401 -31.919 -0.466488 -29.4416 -0.466514 24.7597 GPRESSAVG: 2988000 -0.150426 -13.0434 -30.4988 -9.36115 -32.514 -0.340615 -30.4623 -1.76138 25.2415 TIMING: 2988000 CPU: 8672.07, 0.00291967/step Wall: 8672.07, 0.00291967/step, 1.63177 hours remaining, 207.480469 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: 2988000 761.0296 2102.5805 1935.0518 117.7543 -206402.2256 18108.1162 0.0000 0.0000 34135.9234 -149241.7698 298.1175 -183377.6932 -149147.6643 299.2481 57.3545 89.7543 557788.5536 -2.4242 -2.4743 PRESSURE: 2988200 -46.113 -88.4658 -150.735 -88.4647 -259.015 -63.4358 -150.737 -63.4374 -178.119 GPRESSURE: 2988200 -14.4698 -75.5861 -123.119 -139.487 -214.968 5.22479 -118.51 -46.5526 -151.586 PRESSAVG: 2988200 46.0692 23.7741 -3.79082 23.7742 -24.0714 43.4535 -3.79092 43.4535 19.7083 GPRESSAVG: 2988200 46.4887 24.0209 -5.44884 24.1858 -24.2877 46.1419 -1.37438 41.0239 19.604 TIMING: 2988200 CPU: 8672.65, 0.00292487/step Wall: 8672.65, 0.00292487/step, 1.63451 hours remaining, 207.480469 MB of memory in use. ENERGY: 2988200 756.4851 2096.7666 1954.2622 110.6400 -205921.7061 17612.8897 0.0000 0.0000 34037.7260 -149352.9365 297.2599 -183390.6625 -149267.7746 299.4037 -161.0822 -127.0079 558485.4699 13.9020 13.9350 LDB: ============= START OF LOAD BALANCING ============== 8676.12 LDB: ============== END OF LOAD BALANCING =============== 8676.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8676.12 LDB: ============= START OF LOAD BALANCING ============== 8676.41 LDB: Largest compute 4848 load 0.027509 is 23.3% of average load 0.117883 LDB: Average compute 0.001699 is 1.4% of average load 0.117883 LDB: TIME 8676.41 LOAD: AVG 0.117883 MAX 0.177992 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.426 MB LDB: TIME 8676.41 LOAD: AVG 0.117883 MAX 0.177992 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: TIME 8676.41 LOAD: AVG 0.117883 MAX 0.177992 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8676.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8676.42 PRESSURE: 2988400 -47.9508 -152.041 61.0643 -152.042 -283.271 -33.5757 61.0653 -33.5761 152.903 GPRESSURE: 2988400 -31.2001 -114.962 61.579 -190.079 -194.525 -73.2161 93.4588 20.5931 135.215 PRESSAVG: 2988400 36.6782 -0.228565 -7.09319 -0.228554 -85.9005 -43.7357 -7.09322 -43.7357 41.0047 GPRESSAVG: 2988400 37.568 0.346245 -3.55082 -1.57046 -86.6287 -44.3606 -9.54897 -41.4162 40.9075 TIMING: 2988400 CPU: 8673.24, 0.00294709/step Wall: 8673.24, 0.00294709/step, 1.64677 hours remaining, 205.460938 MB of memory in use. ENERGY: 2988400 709.6705 2118.7638 1977.3347 123.4348 -206171.3519 17638.6097 0.0000 0.0000 34246.8215 -149356.7170 299.0860 -183603.5385 -149259.2936 298.5954 -59.4397 -30.1700 557389.9148 -2.7392 -2.7177 PRESSURE: 2988600 101.239 50.8268 -82.2581 50.8263 88.8609 -40.4563 -82.2579 -40.4542 17.0178 GPRESSURE: 2988600 154.493 24.3431 -44.6894 54.0358 148.855 -149.812 -67.5889 45.7108 -1.50137 PRESSAVG: 2988600 -22.9517 -5.40374 -4.39907 -5.40375 -1.33278 -66.2147 -4.39915 -66.2147 -13.2684 GPRESSAVG: 2988600 -23.5582 -7.18211 -5.74441 -4.55805 -0.0422356 -66.0712 -4.29199 -65.2688 -13.9091 TIMING: 2988600 CPU: 8673.83, 0.0029411/step Wall: 8673.83, 0.0029411/step, 1.64326 hours remaining, 205.460938 MB of memory in use. ENERGY: 2988600 757.0009 2063.7839 1943.9450 113.3863 -206707.4868 18105.1653 0.0000 0.0000 34179.0308 -149545.1746 298.4940 -183724.2054 -149449.5025 298.3755 69.0393 100.6156 556986.8227 -12.5176 -12.5032 PRESSURE: 2988800 36.6501 34.327 -196.855 34.3254 115.131 23.9999 -196.855 23.9977 107.686 GPRESSURE: 2988800 24.9383 49.0404 -209.189 32.9041 112.916 71.9278 -148.347 27.2578 216.035 PRESSAVG: 2988800 41.5883 -6.10312 -62.6429 -6.10309 53.3573 4.34472 -62.643 4.34455 -84.662 GPRESSAVG: 2988800 41.2859 -3.62377 -65.1057 -8.28452 52.7908 3.51122 -60.1029 3.59673 -84.1286 TIMING: 2988800 CPU: 8674.41, 0.00292111/step Wall: 8674.41, 0.00292111/step, 1.63193 hours remaining, 205.531250 MB of memory in use. ENERGY: 2988800 741.9558 2115.2809 1954.9782 115.6487 -206637.7263 17889.7592 0.0000 0.0000 34428.6911 -149391.4124 300.6743 -183820.1035 -149284.7488 298.2113 86.4890 117.9630 555451.3144 3.4279 3.3160 PRESSURE: 2989000 68.6262 -148.51 126.021 -148.51 -162.4 107.319 126.019 107.316 21.2255 GPRESSURE: 2989000 85.1861 -157.669 168.436 -137.395 -96.0752 57.5916 103.754 158.506 33.3181 PRESSAVG: 2989000 73.0036 31.0767 8.20996 31.0767 7.9823 4.64571 8.20996 4.64568 -58.5275 GPRESSAVG: 2989000 72.1794 29.9649 10.5662 30.7869 8.58563 3.283 4.81803 6.97711 -58.2513 TIMING: 2989000 CPU: 8675, 0.0029524/step Wall: 8675, 0.0029524/step, 1.64924 hours remaining, 205.531250 MB of memory in use. ENERGY: 2989000 739.3346 2106.7040 1961.0361 96.6074 -206141.8531 17738.0612 0.0000 0.0000 34135.6740 -149364.4358 298.1153 -183500.1098 -149262.5641 298.8950 -24.1827 7.4763 558433.3221 7.4861 7.5046 PRESSURE: 2989200 -75.2274 1.96052 24.7753 1.96048 -15.1322 55.9348 24.7752 55.9353 -184.28 GPRESSURE: 2989200 -77.9067 -12.4902 105.017 9.58399 -34.5886 25.6604 -40.3871 26.7872 -71.9112 PRESSAVG: 2989200 -6.54693 4.4479 37.6401 4.4478 80.54 -11.6471 37.6402 -11.6471 -30.6409 GPRESSAVG: 2989200 -6.62195 2.96854 36.21 6.76681 81.545 -11.4158 39.808 -11.7838 -31.6589 TIMING: 2989200 CPU: 8675.6, 0.00297743/step Wall: 8675.6, 0.00297743/step, 1.66306 hours remaining, 205.531250 MB of memory in use. ENERGY: 2989200 715.9414 2120.1759 1964.2187 109.7895 -206130.0186 17662.4693 0.0000 0.0000 34032.2592 -149525.1646 297.2122 -183557.4237 -149429.7491 298.2032 -91.5465 -61.4688 558044.3683 14.4507 14.4214 PRESSURE: 2989400 129.772 -14.5367 -7.23248 -14.5372 62.6897 -46.5559 -7.23126 -46.5572 -287.631 GPRESSURE: 2989400 125.763 20.9432 53.3409 -86.6013 67.0255 22.8133 -121.924 -105.797 -205.916 PRESSAVG: 2989400 -11.8364 -30.5301 13.2237 -30.5301 68.7987 77.4284 13.2237 77.4285 -32.1955 GPRESSAVG: 2989400 -11.6725 -29.8723 13.9477 -30.6164 67.8067 77.2737 12.9759 76.5445 -30.8546 TIMING: 2989400 CPU: 8676.19, 0.00295759/step Wall: 8676.19, 0.00295759/step, 1.65181 hours remaining, 205.531250 MB of memory in use. ENERGY: 2989400 769.4224 2089.1462 1939.6164 113.9590 -206409.5453 17857.1176 0.0000 0.0000 34090.6293 -149549.6545 297.7219 -183640.2838 -149463.0922 297.7858 -31.7230 -4.3757 558213.0004 8.2556 8.4265 PRESSURE: 2989600 -55.2077 -15.8173 -65.0876 -15.8175 -52.7736 -211.757 -65.0879 -211.756 -271.81 GPRESSURE: 2989600 -46.1724 -44.517 -108.466 22.0119 -7.65406 -174.7 -50.2336 -249.797 -239.015 PRESSAVG: 2989600 7.63186 -18.1069 4.12223 -18.1068 21.0807 -14.7595 4.12218 -14.7595 -31.5165 GPRESSAVG: 2989600 7.23325 -17.6497 4.52937 -19.4622 21.1488 -14.4794 4.03747 -14.0185 -31.4465 TIMING: 2989600 CPU: 8676.78, 0.00293198/step Wall: 8676.78, 0.00293198/step, 1.63735 hours remaining, 205.531250 MB of memory in use. ENERGY: 2989600 710.8203 2063.4858 1946.7871 116.5497 -206196.3770 17811.1422 0.0000 0.0000 34192.0157 -149355.5762 298.6074 -183547.5919 -149257.9164 298.1645 -126.5971 -97.6137 561062.2743 -0.9347 -1.0215 PRESSURE: 2989800 277.588 74.9519 69.5857 74.9509 266.225 -138.577 69.5868 -138.576 -168.503 GPRESSURE: 2989800 324.371 44.9847 107.251 114.82 322.094 -82.7655 31.8108 -169.166 -176.133 PRESSAVG: 2989800 -10.6715 18.8574 56.1168 18.8574 9.36567 -38.4262 56.1168 -38.4263 18.3828 GPRESSAVG: 2989800 -11.1652 19.7391 58.0747 19.8546 9.45066 -38.8402 56.2363 -38.852 18.7232 TIMING: 2989800 CPU: 8677.37, 0.00294174/step Wall: 8677.37, 0.00294174/step, 1.64264 hours remaining, 205.531250 MB of memory in use. ENERGY: 2989800 745.3793 2085.4232 1958.8218 105.9718 -206679.0740 18194.2413 0.0000 0.0000 34296.7466 -149292.4900 299.5220 -183589.2366 -149198.7437 299.0790 125.1035 156.7774 556602.0399 5.6923 5.6696 PRESSURE: 2990000 -93.0205 -80.3686 42.0339 -80.3683 -270.015 218.262 42.0329 218.26 -196.912 GPRESSURE: 2990000 -77.9621 -17.027 48.5407 -169.433 -203.818 152.662 -16.453 168.166 -173.936 PRESSAVG: 2990000 4.14282 -23.0983 -18.8511 -23.0982 23.2928 -9.05974 -18.851 -9.05977 -43.734 GPRESSAVG: 2990000 4.24102 -22.3172 -18.8979 -23.9232 23.1273 -8.53855 -19.6386 -9.78689 -43.1315 TIMING: 2990000 CPU: 8677.95, 0.00290638/step Wall: 8677.95, 0.00290638/step, 1.62273 hours remaining, 205.531250 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: 2990000 750.9909 2145.6484 1962.6655 111.6290 -205732.5784 17478.2578 0.0000 0.0000 34156.8218 -149126.5651 298.3000 -183283.3868 -149021.4252 298.8731 -186.6492 -151.9054 559144.3455 -5.4328 -5.2544 PRESSURE: 2990200 12.799 80.0936 84.3143 80.0933 260.756 -83.1664 84.3134 -83.1668 -45.1624 GPRESSURE: 2990200 74.3545 117.456 162.892 32.7205 302.016 -37.4976 77.0422 -42.1165 -50.5272 PRESSAVG: 2990200 -49.7493 1.24754 23.0277 1.24755 52.0018 3.80687 23.0277 3.80695 6.45155 GPRESSAVG: 2990200 -48.4646 -0.128706 21.3996 -0.136921 51.2631 5.75694 23.5563 4.43739 6.11326 TIMING: 2990200 CPU: 8678.53, 0.00291687/step Wall: 8678.53, 0.00291687/step, 1.62842 hours remaining, 205.531250 MB of memory in use. ENERGY: 2990200 776.4032 2124.3825 1947.7508 134.5486 -206172.6844 17853.4200 0.0000 0.0000 33972.8249 -149363.3544 296.6931 -183336.1793 -149267.4261 298.4877 76.1309 108.6143 557322.8215 2.9014 2.9706 PRESSURE: 2990400 -124.016 129.119 -14.5199 129.118 -54.2328 81.3027 -14.5209 81.304 96.5913 GPRESSURE: 2990400 -85.0369 76.5633 -23.2409 154.534 1.38168 60.1416 -7.47052 92.7447 92.9925 PRESSAVG: 2990400 23.7948 39.7154 33.5773 39.7153 23.4448 4.78195 33.5773 4.78193 -66.1561 GPRESSAVG: 2990400 22.4715 39.1309 34.749 41.4823 25.066 2.59181 31.673 6.7164 -66.0394 TIMING: 2990400 CPU: 8679.11, 0.00290193/step Wall: 8679.11, 0.00290193/step, 1.61992 hours remaining, 205.531250 MB of memory in use. ENERGY: 2990400 789.0001 2097.1554 1945.4251 104.9003 -206471.7894 18054.8388 0.0000 0.0000 34264.6470 -149215.8226 299.2417 -183480.4696 -149122.5027 299.3933 -27.2193 3.1124 558997.7031 -6.3055 -6.1673 PRESSURE: 2990600 -336.543 -8.77227 -2.11397 -8.77319 130.97 98.5425 -2.11391 98.5449 10.3925 GPRESSURE: 2990600 -251.281 -16.5669 -1.11477 -63.432 78.3432 139.833 -86.2901 65.2448 64.447 PRESSAVG: 2990600 -16.2964 40.1385 -15.6294 40.1386 9.61301 16.3775 -15.6294 16.3775 -33.9423 GPRESSAVG: 2990600 -16.1195 40.1808 -16.8123 38.7262 7.95428 16.928 -15.2572 15.6698 -32.45 TIMING: 2990600 CPU: 8679.7, 0.00292404/step Wall: 8679.7, 0.00292404/step, 1.6321 hours remaining, 205.531250 MB of memory in use. ENERGY: 2990600 717.0841 2070.1742 1964.9068 120.2003 -206319.0549 17761.5836 0.0000 0.0000 34523.6061 -149161.4997 301.5032 -183685.1058 -149061.8657 298.9056 -65.0601 -36.1635 558713.4514 -13.5419 -13.5384 PRESSURE: 2990800 143.865 8.40085 88.6289 8.39999 169.697 65.6404 88.6291 65.6409 167.309 GPRESSURE: 2990800 207.97 58.9333 160.566 37.5432 205.396 10.7889 -27.0109 146.852 161.781 PRESSAVG: 2990800 -14.6402 2.18741 0.577537 2.18744 -17.8212 11.5046 0.577544 11.5046 32.9614 GPRESSAVG: 2990800 -14.3604 3.95974 -1.01958 1.82708 -16.41 10.3552 2.10473 11.0704 31.0626 TIMING: 2990800 CPU: 8680.28, 0.00290962/step Wall: 8680.28, 0.00290962/step, 1.62389 hours remaining, 205.531250 MB of memory in use. ENERGY: 2990800 728.4746 2058.1729 1977.7133 111.4471 -206366.8482 18107.3884 0.0000 0.0000 34323.6257 -149060.0261 299.7568 -183383.6518 -148963.5136 300.0089 160.2906 191.7158 559078.6206 0.1667 0.0974 PRESSURE: 2991000 -248.399 167.747 -1.87121 167.746 111.936 -52.0197 -1.87069 -52.0181 -11.0691 GPRESSURE: 2991000 -179.005 171.369 7.13565 85.5567 164.845 -90.9369 -47.4248 -34.234 -35.2205 PRESSAVG: 2991000 2.52988 32.3281 12.3524 32.3282 -28.4639 -6.36498 12.3524 -6.36491 23.923 GPRESSAVG: 2991000 2.9082 31.9291 12.4455 33.4271 -28.6291 -4.78531 12.805 -6.2209 23.947 TIMING: 2991000 CPU: 8680.86, 0.0029136/step Wall: 8680.86, 0.0029136/step, 1.62595 hours remaining, 205.531250 MB of memory in use. ENERGY: 2991000 790.6486 2099.3050 1963.8359 105.3495 -206266.7000 17961.7761 0.0000 0.0000 34220.4843 -149125.3004 298.8560 -183345.7848 -149030.4789 299.5952 -49.1773 -16.4601 557104.5475 -0.6704 -0.5913 PRESSURE: 2991200 -55.5729 53.4105 -30.9136 53.4101 -324.224 -45.0787 -30.9132 -45.0782 58.1623 GPRESSURE: 2991200 7.48961 59.967 -40.2527 88.721 -273.13 -169.414 41.515 -81.7958 49.5637 PRESSAVG: 2991200 -20.5854 -17.9525 62.6429 -17.9525 38.9492 -53.4938 62.6429 -53.4937 -15.1726 GPRESSAVG: 2991200 -21.3101 -17.8808 62.561 -18.2174 37.9182 -54.0889 62.9501 -53.435 -13.958 TIMING: 2991200 CPU: 8681.44, 0.00291477/step Wall: 8681.44, 0.00291477/step, 1.62644 hours remaining, 205.531250 MB of memory in use. ENERGY: 2991200 699.8308 2131.4482 1985.3150 120.4111 -205968.7614 17519.7341 0.0000 0.0000 34459.7755 -149052.2467 300.9458 -183512.0222 -148954.1358 299.0024 -107.2114 -72.0257 558121.3046 1.0637 0.8833 PRESSURE: 2991400 121.416 40.5787 -73.8689 40.5785 3.49632 -45.9376 -73.8683 -45.9369 -311.092 GPRESSURE: 2991400 119.062 25.1869 -60.357 13.6457 17.1646 -30.2794 -9.36452 -77.7298 -227.14 PRESSAVG: 2991400 -35.2544 24.3521 53.8275 24.3521 -1.72189 15.7154 53.8274 15.7152 6.59236 GPRESSAVG: 2991400 -36.2602 23.8228 54.7915 27.1342 -1.37972 14.6908 53.9207 17.5611 7.30881 TIMING: 2991400 CPU: 8682.03, 0.00291439/step Wall: 8682.03, 0.00291439/step, 1.62607 hours remaining, 205.531250 MB of memory in use. ENERGY: 2991400 728.5013 2096.4928 1963.5999 117.9219 -206161.6576 17734.4642 0.0000 0.0000 34364.7827 -149155.8948 300.1162 -183520.6774 -149054.0240 299.4616 -62.0599 -30.3045 557782.0637 -10.1280 -10.1104 PRESSURE: 2991600 -128.969 37.9855 -0.404694 37.9854 160.245 -69.4598 -0.405923 -69.4609 15.3518 GPRESSURE: 2991600 -29.1889 7.20197 23.1957 13.1513 171.764 -64.2437 -73.0861 -65.933 2.13107 PRESSAVG: 2991600 -34.6118 -15.457 34.0529 -15.457 52.2549 -29.4364 34.053 -29.4364 -33.6871 GPRESSAVG: 2991600 -33.7392 -14.0589 34.2351 -18.9487 51.3892 -27.8904 32.5351 -31.0486 -33.7457 TIMING: 2991600 CPU: 8682.61, 0.0029089/step Wall: 8682.61, 0.0029089/step, 1.62284 hours remaining, 205.531250 MB of memory in use. ENERGY: 2991600 740.2781 2131.0611 1976.8945 116.4601 -206380.6512 17991.5470 0.0000 0.0000 34209.9375 -149214.4729 298.7639 -183424.4104 -149112.4405 299.0801 15.5429 48.2355 556684.5258 -5.3480 -5.3652 PRESSURE: 2991800 -226.981 -9.97728 -47.8404 -9.97724 -263.965 -41.7496 -47.8406 -41.7502 -221.167 GPRESSURE: 2991800 -171.68 38.3613 -53.711 -41.9752 -236.072 -89.5023 -17.7284 0.481989 -200.894 PRESSAVG: 2991800 56.5567 32.1948 33.5766 32.1948 -16.5448 -8.26694 33.5766 -8.26698 -15.6857 GPRESSAVG: 2991800 56.5223 31.8297 34.5391 34.8446 -16.2104 -9.71247 32.7578 -8.7453 -15.7412 TIMING: 2991800 CPU: 8683.19, 0.00292343/step Wall: 8683.19, 0.00292343/step, 1.63079 hours remaining, 205.531250 MB of memory in use. ENERGY: 2991800 782.5614 2039.1075 1975.5364 106.7761 -205827.7400 17524.9816 0.0000 0.0000 34345.7957 -149052.9813 299.9504 -183398.7770 -148955.4859 299.4200 -237.3711 -202.8821 558288.3614 8.1087 8.1902 PRESSURE: 2992000 -135.579 26.1479 7.55877 26.147 -208.591 33.8667 7.55908 33.8662 50.3806 GPRESSURE: 2992000 -134.659 -18.0349 23.5795 68.0581 -149.841 -3.86016 131.74 75.5005 88.7974 PRESSAVG: 2992000 13.7951 5.64477 -4.18512 5.64472 -21.054 -47.2308 -4.18515 -47.2309 17.677 GPRESSAVG: 2992000 12.6265 6.83952 -5.04635 5.41768 -19.4739 -45.6797 -4.78685 -47.1729 17.0297 TIMING: 2992000 CPU: 8683.78, 0.00291852/step Wall: 8683.78, 0.00291852/step, 1.62789 hours remaining, 205.531250 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: 2992000 746.5604 2081.6317 1958.3379 111.5468 -205642.4259 17380.7775 0.0000 0.0000 34363.4354 -149000.1362 300.1044 -183363.5716 -148903.5980 299.9329 -97.9297 -65.2342 556029.9027 3.4727 3.3941 PRESSURE: 2992200 -128.725 -21.8297 -5.63998 -21.8298 -359.071 -48.0749 -5.63796 -48.0746 -5.67703 GPRESSURE: 2992200 -87.2798 12.1629 -96.9689 1.19883 -381.282 16.9657 97.7457 -61.3462 70.8057 PRESSAVG: 2992200 -20.2006 32.619 -14.0015 32.6189 -26.4265 -21.6646 -14.0015 -21.6646 8.31647 GPRESSAVG: 2992200 -18.0328 30.6724 -14.3236 32.8674 -28.2701 -21.5953 -12.174 -23.2308 7.71853 TIMING: 2992200 CPU: 8684.36, 0.00291499/step Wall: 8684.36, 0.00291499/step, 1.62575 hours remaining, 205.531250 MB of memory in use. ENERGY: 2992200 735.5344 2113.8436 2011.0701 133.6011 -205530.2799 17389.2930 0.0000 0.0000 34333.9836 -148812.9540 299.8472 -183146.9377 -148717.7527 299.7832 -164.4908 -132.5854 557141.3650 -12.7702 -12.8615 LDB: ============= START OF LOAD BALANCING ============== 8687.83 LDB: ============== END OF LOAD BALANCING =============== 8687.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8687.83 LDB: ============= START OF LOAD BALANCING ============== 8688.12 LDB: Largest compute 4821 load 0.027791 is 23.6% of average load 0.117785 LDB: Average compute 0.001710 is 1.5% of average load 0.117785 LDB: TIME 8688.12 LOAD: AVG 0.117785 MAX 0.18011 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.098 MB LDB: TIME 8688.12 LOAD: AVG 0.117785 MAX 0.18011 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.168 MB LDB: TIME 8688.12 LOAD: AVG 0.117785 MAX 0.18011 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.168 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8688.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8688.13 PRESSURE: 2992400 -269.329 -4.26495 35.7943 -4.26505 -108.723 5.42836 35.793 5.42825 18.4228 GPRESSURE: 2992400 -290.342 56.4063 46.0051 13.0646 -17.6776 22.2206 86.3781 61.9654 41.113 PRESSAVG: 2992400 -42.5386 19.2181 30.7896 19.2182 -31.5306 30.9948 30.7896 30.9948 59.8489 GPRESSAVG: 2992400 -43.8902 19.3324 30.4393 18.7013 -31.998 30.5034 30.6509 34.1018 61.3466 TIMING: 2992400 CPU: 8684.95, 0.00295279/step Wall: 8684.95, 0.00295279/step, 1.64667 hours remaining, 206.460938 MB of memory in use. ENERGY: 2992400 790.7707 2122.7749 1933.9682 110.6372 -205616.2804 17547.6799 0.0000 0.0000 34319.1581 -148791.2915 299.7177 -183110.4497 -148693.7801 300.1541 -119.8765 -88.9688 557531.6272 -4.7401 -4.8472 PRESSURE: 2992600 -75.1719 71.2407 118.004 71.2412 -301.153 2.61957 118.003 2.61894 -99.6963 GPRESSURE: 2992600 -32.6963 66.6539 113.667 24.9864 -301.115 67.4027 85.5875 -9.25884 -44.6222 PRESSAVG: 2992600 -50.2374 48.8643 -19.9008 48.8643 -8.13001 -5.37211 -19.9007 -5.372 94.7907 GPRESSAVG: 2992600 -50.9272 50.0512 -19.7566 47.8423 -7.44631 -6.8996 -20.1733 -4.23917 94.5262 TIMING: 2992600 CPU: 8685.53, 0.00291096/step Wall: 8685.53, 0.00291096/step, 1.62318 hours remaining, 206.863281 MB of memory in use. ENERGY: 2992600 778.2874 2115.2258 1977.0937 122.9504 -205695.9860 17514.5627 0.0000 0.0000 34473.2258 -148714.6402 301.0633 -183187.8659 -148619.0098 300.4237 -158.6736 -126.1444 557840.9557 12.1411 12.0509 PRESSURE: 2992800 -8.64366 -98.4321 -92.8783 -98.4313 -19.3463 -40.8451 -92.8795 -40.8464 -188.965 GPRESSURE: 2992800 30.2992 -76.1134 -160.349 -68.8378 17.4475 -28.7503 -133.204 47.3932 -171.866 PRESSAVG: 2992800 63.8388 -21.1127 10.783 -21.1127 -28.2059 -13.034 10.7829 -13.034 -42.1895 GPRESSAVG: 2992800 63.0668 -23.6346 14.2825 -19.2536 -26.9896 -9.12126 10.3334 -15.5085 -42.7156 TIMING: 2992800 CPU: 8686.11, 0.00289707/step Wall: 8686.11, 0.00289707/step, 1.61528 hours remaining, 206.863281 MB of memory in use. ENERGY: 2992800 739.7154 2170.1307 1973.3008 128.4678 -206015.2329 17672.1273 0.0000 0.0000 34543.3531 -148788.1378 301.6757 -183331.4909 -148687.1113 300.9338 -72.3184 -41.3732 557289.5739 -2.1856 -2.2128 PRESSURE: 2993000 260.469 106.057 -9.84847 106.055 23.6632 15.8617 -9.84766 15.8629 39.5187 GPRESSURE: 2993000 306.287 103.424 54.3234 64.5567 78.815 27.5391 14.3523 29.3599 37.9872 PRESSAVG: 2993000 36.0809 -29.5273 56.3015 -29.5272 -21.9228 -5.36663 56.3015 -5.36663 4.41034 GPRESSAVG: 2993000 37.0501 -28.8098 53.2516 -29.6937 -23.0129 -9.54419 55.8127 -4.12146 4.84507 TIMING: 2993000 CPU: 8686.7, 0.00292445/step Wall: 8686.7, 0.00292445/step, 1.63038 hours remaining, 206.863281 MB of memory in use. ENERGY: 2993000 688.8344 2116.0861 1985.0703 108.8849 -205969.5795 17901.4234 0.0000 0.0000 34469.9663 -148699.3141 301.0348 -183169.2804 -148600.6121 301.0174 107.8835 141.0298 557159.8339 6.1895 6.2941 PRESSURE: 2993200 -27.3035 -6.81471 -152.637 -6.81502 -196.243 106.955 -152.636 106.954 -64.3908 GPRESSURE: 2993200 56.5092 48.7816 -104.049 -12.8624 -219.641 204.318 -210.243 27.9162 -28.0152 PRESSAVG: 2993200 18.3492 13.9164 -28.6174 13.9163 9.59611 -32.825 -28.6173 -32.8251 13.6312 GPRESSAVG: 2993200 19.6236 15.9381 -28.3891 13.9826 9.63791 -31.6769 -28.3099 -32.2732 12.5474 TIMING: 2993200 CPU: 8687.28, 0.00291777/step Wall: 8687.28, 0.00291777/step, 1.6265 hours remaining, 206.863281 MB of memory in use. ENERGY: 2993200 752.8090 2141.8623 1961.2390 112.0932 -205812.8450 17726.0776 0.0000 0.0000 34291.8389 -148826.9251 299.4792 -183118.7640 -148724.1030 300.6199 -95.9793 -63.7156 558520.8410 13.8588 13.9363 PRESSURE: 2993400 -151.175 -208.178 98.5446 -208.178 -184.099 33.1467 98.5445 33.1465 73.324 GPRESSURE: 2993400 -142.854 -229.118 187.939 -154.505 -155.194 88.5999 118.08 138.922 139.325 PRESSAVG: 2993400 12.119 -17.277 -13.3186 -17.277 -43.0793 21.3545 -13.3185 21.3546 33.8066 GPRESSAVG: 2993400 12.2785 -17.6371 -13.5721 -17.4137 -43.096 21.7735 -11.1754 18.7035 34.1621 TIMING: 2993400 CPU: 8687.86, 0.00290364/step Wall: 8687.86, 0.00290364/step, 1.61845 hours remaining, 206.863281 MB of memory in use. ENERGY: 2993400 770.7367 2138.4441 1966.3978 111.0083 -206087.0308 17794.7254 0.0000 0.0000 34365.6526 -148940.0659 300.1238 -183305.7185 -148845.1730 300.5226 -87.3168 -52.9075 559893.5878 0.9488 1.1149 PRESSURE: 2993600 -106.757 23.737 131.568 23.7374 72.9341 -54.6572 131.567 -54.6562 -69.538 GPRESSURE: 2993600 -73.843 -41.9084 113.305 73.7434 110.997 7.64594 169.514 -18.4153 -50.163 PRESSAVG: 2993600 -28.3038 -35.2172 -6.48804 -35.2171 -20.2488 49.0422 -6.48808 49.0423 -6.59535 GPRESSAVG: 2993600 -29.118 -35.5247 -7.30642 -35.6325 -19.6201 48.65 -5.48645 51.0815 -6.40391 TIMING: 2993600 CPU: 8688.44, 0.00290125/step Wall: 8688.44, 0.00290125/step, 1.61696 hours remaining, 206.863281 MB of memory in use. ENERGY: 2993600 744.4902 2077.5298 1994.5642 108.3489 -206005.7808 17833.3857 0.0000 0.0000 34228.8600 -149018.6021 298.9291 -183247.4621 -148925.3799 299.9822 -34.4536 -4.3364 559281.0611 -18.3827 -18.3807 PRESSURE: 2993800 -228.854 -14.5905 -137.301 -14.5906 -23.293 66.5789 -137.3 66.5802 -78.3127 GPRESSURE: 2993800 -143.101 -42.5951 -140.386 -34.6661 -54.3568 11.7191 -121.878 101.967 -45.3697 PRESSAVG: 2993800 -36.5322 0.182045 -16.6588 0.182121 94.0292 42.4242 -16.6588 42.4241 -38.8924 GPRESSAVG: 2993800 -36.8019 -0.672413 -17.7042 1.14862 92.9907 42.7031 -15.8918 41.1664 -38.0564 TIMING: 2993800 CPU: 8689.02, 0.00289999/step Wall: 8689.02, 0.00289999/step, 1.6161 hours remaining, 206.863281 MB of memory in use. ENERGY: 2993800 737.6709 2104.0073 1979.3679 121.9553 -206212.4850 17673.3778 0.0000 0.0000 34618.6869 -148977.4189 302.3336 -183596.1058 -148872.9418 299.5263 -110.1534 -80.9425 558043.1415 6.2015 6.0441 PRESSURE: 2994000 -71.2342 134.091 68.9853 134.091 196.377 105.334 68.9855 105.335 -163.495 GPRESSURE: 2994000 -26.7333 76.1486 46.6912 190.719 238.842 150.579 30.8842 117.554 -146.035 PRESSAVG: 2994000 -48.9747 -3.01761 -33.1749 -3.01757 27.7165 -10.5524 -33.1749 -10.5523 59.2262 GPRESSAVG: 2994000 -49.0479 -3.0073 -28.6123 -3.95908 27.7786 -10.5308 -36.3231 -10.8945 59.8957 TIMING: 2994000 CPU: 8689.6, 0.00289758/step Wall: 8689.6, 0.00289758/step, 1.61459 hours remaining, 206.863281 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: 2994000 779.9943 2168.7110 1970.4537 120.0955 -206202.9730 17884.6107 0.0000 0.0000 34295.2412 -148983.8666 299.5089 -183279.1078 -148886.3937 300.3690 -12.7841 22.0245 557131.5207 12.6560 12.8755 PRESSURE: 2994200 -59.9825 174.145 136.521 174.145 203.661 80.5815 136.523 80.5813 93.7875 GPRESSURE: 2994200 -61.4048 125.805 160.64 167.295 253.993 -10.4063 157.727 114.111 133.834 PRESSAVG: 2994200 -74.647 4.10237 12.0314 4.10231 65.2485 4.83123 12.0315 4.83121 34.1941 GPRESSAVG: 2994200 -73.6161 5.75616 10.9605 2.75839 65.9648 7.23978 14.2163 5.24017 32.1872 TIMING: 2994200 CPU: 8690.18, 0.00290226/step Wall: 8690.18, 0.00290226/step, 1.61705 hours remaining, 206.863281 MB of memory in use. ENERGY: 2994200 737.0060 2211.9750 1956.6937 132.0508 -206345.9196 18114.4350 0.0000 0.0000 34281.7656 -148911.9935 299.3912 -183193.7591 -148814.6177 300.0129 79.1552 108.8075 558370.5005 8.2652 8.1786 PRESSURE: 2994400 -63.8925 -128.122 -16.3729 -128.123 -1.9363 -164.608 -16.3727 -164.611 -210.553 GPRESSURE: 2994400 -30.2214 -115.692 77.0361 -124.457 -32.4049 -217.816 -69.8079 -88.295 -116.226 PRESSAVG: 2994400 4.90709 -9.1027 29.4179 -9.10268 42.1041 -52.3918 29.4179 -52.3918 -28.1066 GPRESSAVG: 2994400 3.40622 -10.1756 29.4817 -7.29638 41.6884 -54.9352 27.079 -51.2749 -26.4254 TIMING: 2994400 CPU: 8690.76, 0.00289396/step Wall: 8690.76, 0.00289396/step, 1.61225 hours remaining, 206.863281 MB of memory in use. ENERGY: 2994400 738.9211 2191.4585 1961.0275 100.5444 -205734.5412 17598.0656 0.0000 0.0000 34124.5025 -149020.0217 298.0178 -183144.5242 -148921.1995 300.3407 -92.1273 -59.6173 558010.4363 6.3016 6.2231 PRESSURE: 2994600 -5.0493 64.9438 -55.8066 64.9438 -55.9156 -62.612 -55.8069 -62.6135 20.4174 GPRESSURE: 2994600 61.0006 36.3622 -121.24 120.637 -20.7228 -80.5342 -69.3513 -50.8826 0.0344734 PRESSAVG: 2994600 -23.6269 2.82881 -3.85406 2.82879 24.5424 -79.4619 -3.85403 -79.4619 6.5527 GPRESSAVG: 2994600 -23.1431 3.01531 -5.0292 2.95982 25.4607 -79.2608 -3.33821 -79.9973 5.4643 TIMING: 2994600 CPU: 8691.34, 0.00288726/step Wall: 8691.34, 0.00288726/step, 1.60837 hours remaining, 206.863281 MB of memory in use. ENERGY: 2994600 732.9474 2151.5732 1951.1514 110.4351 -206402.3397 17908.4333 0.0000 0.0000 34497.6911 -149050.1083 301.2769 -183547.7993 -148960.5178 299.9126 -13.5158 13.4374 557223.3025 2.4894 2.5940 PRESSURE: 2994800 132.288 30.9012 -105.865 30.9017 -147.822 -110.909 -105.867 -110.908 186.13 GPRESSURE: 2994800 112.829 94.248 -46.6232 20.4462 -120.91 -107.403 -138.095 -152.436 292.158 PRESSAVG: 2994800 -11.6649 45.2837 7.16967 45.2838 6.80616 -42.2273 7.16964 -42.2273 -11.7799 GPRESSAVG: 2994800 -11.8336 43.9227 6.05692 47.8066 5.98045 -42.1251 7.84514 -43.6044 -11.3197 TIMING: 2994800 CPU: 8691.92, 0.0029123/step Wall: 8691.92, 0.0029123/step, 1.62215 hours remaining, 206.863281 MB of memory in use. ENERGY: 2994800 781.4310 2111.0727 1981.6846 111.8140 -206479.1791 18048.5032 0.0000 0.0000 34368.1653 -149076.5082 300.1457 -183444.6735 -148972.1937 299.9537 56.8651 94.6924 557625.3363 -5.5462 -5.7243 PRESSURE: 2995000 362.3 168.024 -77.8445 168.024 217.333 -42.658 -77.8435 -42.6581 58.553 GPRESSURE: 2995000 441.946 157.37 -67.3312 124.097 177.99 -101.902 -17.5579 -45.5386 115.413 PRESSAVG: 2995000 -1.92901 17.6605 -39.5241 17.6604 -65.4465 -24.7669 -39.524 -24.7669 52.5847 GPRESSAVG: 2995000 -2.97538 17.3473 -38.1025 16.6533 -63.9279 -24.2008 -39.5842 -22.9339 52.8554 TIMING: 2995000 CPU: 8692.5, 0.00289687/step Wall: 8692.5, 0.00289687/step, 1.61339 hours remaining, 206.863281 MB of memory in use. ENERGY: 2995000 712.1919 2072.4024 1928.9443 112.8534 -206619.9734 18196.4861 0.0000 0.0000 34456.2159 -149140.8794 300.9147 -183597.0953 -149035.6838 299.0577 212.7286 245.1161 557151.7201 -4.9303 -4.6826 PRESSURE: 2995200 24.2637 156.408 20.3681 156.406 -8.1353 14.537 20.368 14.5378 129.136 GPRESSURE: 2995200 6.07197 176.919 177.896 95.5774 23.5816 3.68928 28.2433 46.7381 205.467 PRESSAVG: 2995200 32.8726 7.66324 -21.3442 7.66319 -12.8184 38.3447 -21.3442 38.3447 -26.2125 GPRESSAVG: 2995200 33.103 9.57407 -21.2956 4.94847 -13.1521 38.5317 -19.8883 39.2552 -26.0376 TIMING: 2995200 CPU: 8693.08, 0.00288906/step Wall: 8693.08, 0.00288906/step, 1.60889 hours remaining, 206.863281 MB of memory in use. ENERGY: 2995200 734.4832 2090.5821 2003.7981 109.1641 -206426.4414 18023.5707 0.0000 0.0000 34195.1954 -149269.6479 298.6351 -183464.8433 -149176.8155 299.2837 48.4216 78.3734 558232.0609 -2.0528 -2.0289 PRESSURE: 2995400 -24.0826 205.074 85.8862 205.074 -240.454 -38.7333 85.8855 -38.7343 -129.147 GPRESSURE: 2995400 68.3136 233.338 56.6178 171.805 -228.008 -106.22 136.247 -51.9447 -134.838 PRESSAVG: 2995400 7.73955 45.3915 -3.78637 45.3915 -67.9914 -8.61448 -3.78631 -8.61455 77.3213 GPRESSAVG: 2995400 8.75834 43.401 -3.97024 46.977 -68.0006 -9.82994 -4.79302 -8.96544 76.3474 TIMING: 2995400 CPU: 8693.66, 0.0029014/step Wall: 8693.66, 0.0029014/step, 1.61559 hours remaining, 206.863281 MB of memory in use. ENERGY: 2995400 778.3523 2113.6030 1963.8764 118.2514 -206440.6892 17803.2052 0.0000 0.0000 34504.3501 -149159.0508 301.3351 -183663.4009 -149058.9306 298.8491 -131.2279 -98.1775 557945.8473 5.6898 5.7017 PRESSURE: 2995600 -197.334 -160.446 52.5316 -160.445 -60.7514 42.7009 52.5321 42.7 -79.9155 GPRESSURE: 2995600 -143.98 -104.765 63.7712 -148.844 -3.30351 38.185 1.08669 65.8762 -93.8215 PRESSAVG: 2995600 100.327 -14.1781 69.8203 -14.178 -40.7463 27.8944 69.8202 27.8943 -31.2141 GPRESSAVG: 2995600 99.2376 -12.9345 68.2815 -15.3908 -41.7266 31.7323 70.4343 25.2792 -29.5778 TIMING: 2995600 CPU: 8694.23, 0.00288652/step Wall: 8694.23, 0.00288652/step, 1.60715 hours remaining, 206.863281 MB of memory in use. ENERGY: 2995600 750.7850 2079.6142 1967.3019 100.7831 -206141.3136 17784.1701 0.0000 0.0000 34161.8795 -149296.7798 298.3442 -183458.6593 -149203.8638 298.8448 -112.6670 -80.3683 558721.9645 9.4554 9.3110 PRESSURE: 2995800 -151.573 -27.1165 149.452 -27.1162 -97.5821 -54.9328 149.451 -54.9334 -299.585 GPRESSURE: 2995800 -111.645 -45.6068 108.03 -7.12959 -59.9241 7.43491 204.206 -4.89609 -271.993 PRESSAVG: 2995800 46.5455 3.06718 47.4446 3.06714 -5.04239 27.2211 47.4445 27.2211 -45.6117 GPRESSAVG: 2995800 47.4034 2.64451 45.981 5.22997 -4.87446 22.6542 48.685 30.3315 -46.9091 TIMING: 2995800 CPU: 8694.81, 0.00289374/step Wall: 8694.81, 0.00289374/step, 1.61101 hours remaining, 206.863281 MB of memory in use. ENERGY: 2995800 753.8015 2095.8456 2007.6562 111.6997 -205974.2619 17686.5923 0.0000 0.0000 34121.3202 -149197.3463 297.9900 -183318.6665 -149101.2222 299.2543 -182.9132 -147.8539 559921.5654 -1.3695 -1.4601 PRESSURE: 2996000 184.943 -134.424 119.478 -134.425 43.0619 134.865 119.479 134.867 -94.145 GPRESSURE: 2996000 197.212 -95.75 227.771 -176.664 97.7112 111.392 111.075 168.949 -70.3193 PRESSAVG: 2996000 65.9924 -94.4671 39.2772 -94.4671 2.14598 42.7586 39.2772 42.7586 -129.012 GPRESSAVG: 2996000 66.4357 -93.1674 43.462 -94.2962 2.02098 42.47 37.3944 41.2867 -129.765 TIMING: 2996000 CPU: 8695.39, 0.00290406/step Wall: 8695.39, 0.00290406/step, 1.61659 hours remaining, 206.863281 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: 2996000 784.3753 2062.7586 1999.2546 107.2956 -206446.1149 17987.5359 0.0000 0.0000 34276.5212 -149228.3738 299.3454 -183504.8949 -149127.5712 298.4125 44.6199 74.8678 557679.1082 -20.2912 -20.4360 PRESSURE: 2996200 -99.1072 -65.6786 -185.227 -65.6788 48.7922 -185.461 -185.227 -185.461 -26.8341 GPRESSURE: 2996200 -105 -39.6954 -288.414 -97.9881 122.287 -211.526 -71.3495 -163.073 10.6852 PRESSAVG: 2996200 46.0091 -12.7133 36.1632 -12.7133 -8.22825 -21.8578 36.1633 -21.8579 -48.4518 GPRESSAVG: 2996200 45.8911 -13.9999 35.1712 -14.4604 -8.45169 -18.4862 37.0254 -21.7709 -48.1641 TIMING: 2996200 CPU: 8695.98, 0.00291119/step Wall: 8695.98, 0.00291119/step, 1.6204 hours remaining, 206.863281 MB of memory in use. ENERGY: 2996200 759.3671 2099.1601 1963.2608 129.1646 -205920.1501 17678.2130 0.0000 0.0000 34217.7491 -149073.2355 298.8321 -183290.9845 -148974.6894 299.0169 -25.7164 9.3238 557443.3517 -3.5570 -3.5749 LDB: ============= START OF LOAD BALANCING ============== 8699.44 LDB: ============== END OF LOAD BALANCING =============== 8699.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8699.44 LDB: ============= START OF LOAD BALANCING ============== 8699.74 LDB: Largest compute 4821 load 0.028095 is 23.9% of average load 0.117783 LDB: Average compute 0.001704 is 1.4% of average load 0.117783 LDB: TIME 8699.74 LOAD: AVG 0.117783 MAX 0.176044 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8699.74 LOAD: AVG 0.117783 MAX 0.176044 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: TIME 8699.74 LOAD: AVG 0.117783 MAX 0.176044 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: ============== END OF LOAD BALANCING =============== 8699.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8699.74 PRESSURE: 2996400 52.7177 -173.254 23.0811 -173.253 -99.1495 -23.4274 23.0817 -23.427 -178.765 GPRESSURE: 2996400 76.8048 -161.688 40.808 -187.912 -54.305 8.64583 -59.7878 -12.5528 -154.6 PRESSAVG: 2996400 37.7907 -18.7496 -6.03973 -18.7496 -9.6762 -68.6483 -6.03971 -68.6483 -20.4158 GPRESSAVG: 2996400 37.6837 -20.0304 -5.85805 -17.7974 -10.2284 -67.9217 -6.45869 -69.5075 -19.4402 TIMING: 2996400 CPU: 8696.57, 0.00296387/step Wall: 8696.57, 0.00296387/step, 1.64956 hours remaining, 204.097656 MB of memory in use. ENERGY: 2996400 753.8194 2050.1336 1966.4298 110.0709 -205637.0230 17596.4846 0.0000 0.0000 34187.8540 -148972.2308 298.5710 -183160.0848 -148875.2239 298.5604 -75.0655 -44.0335 558649.8244 2.5662 2.6717 PRESSURE: 2996600 62.61 67.2664 -153.102 67.2674 71.0795 -31.7152 -153.102 -31.7155 129.794 GPRESSURE: 2996600 173.301 109.8 -124.943 44.9962 62.3947 -55.3508 -96.9662 -38.2313 122.587 PRESSAVG: 2996600 70.2375 10.0547 35.3209 10.0549 -76.8681 -73.7607 35.3209 -73.7606 -12.5283 GPRESSAVG: 2996600 70.4965 10.4956 35.0046 9.99401 -76.2129 -76.4552 37.168 -72.0034 -13.0874 TIMING: 2996600 CPU: 8697.15, 0.00290334/step Wall: 8697.15, 0.00290334/step, 1.61571 hours remaining, 204.097656 MB of memory in use. ENERGY: 2996600 765.9861 2092.7304 1998.0375 127.4513 -206188.7611 17819.3493 0.0000 0.0000 34350.0070 -149035.1995 299.9872 -183385.2066 -148936.1367 299.0737 87.8278 119.4276 558640.6042 -6.3863 -6.2680 PRESSURE: 2996800 -22.1106 7.80691 -86.1201 7.80634 -135.123 21.9158 -86.1205 21.9145 -68.9408 GPRESSURE: 2996800 31.8428 -8.91068 -87.4826 -56.1898 -134.216 -22.34 -94.3559 96.4694 -38.1776 PRESSAVG: 2996800 49.5712 -35.103 50.8677 -35.1029 -20.7354 -8.77904 50.8678 -8.77889 -25.148 GPRESSAVG: 2996800 49.0691 -33.3485 51.7188 -36.4952 -20.6305 -7.22231 48.3963 -11.6644 -25.0278 TIMING: 2996800 CPU: 8697.73, 0.00289097/step Wall: 8697.73, 0.00289097/step, 1.60866 hours remaining, 204.097656 MB of memory in use. ENERGY: 2996800 756.2243 2065.2599 1992.2483 112.2806 -205825.7182 17726.7101 0.0000 0.0000 34275.9665 -148897.0283 299.3405 -183172.9948 -148794.5670 300.1434 -75.3915 -46.8502 559003.4409 1.2293 1.1369 PRESSURE: 2997000 102.243 -36.8062 -37.6032 -36.8066 -209.527 -47.4961 -37.6027 -47.4958 -12.5199 GPRESSURE: 2997000 139.501 -103.149 30.6628 -47.5988 -199.262 27.4597 -2.22748 -123.281 37.3548 PRESSAVG: 2997000 -3.65858 -55.353 -21.2604 -55.3531 -3.66655 -32.5474 -21.2604 -32.5475 24.7568 GPRESSAVG: 2997000 -4.51301 -56.6381 -21.16 -53.0124 -3.26211 -32.1906 -20.9196 -32.0547 25.1987 TIMING: 2997000 CPU: 8698.31, 0.00289967/step Wall: 8698.31, 0.00289967/step, 1.61334 hours remaining, 204.097656 MB of memory in use. ENERGY: 2997000 755.5645 2076.0421 1975.8264 109.2968 -206277.0653 17913.4121 0.0000 0.0000 34615.1152 -148831.8082 302.3024 -183446.9234 -148736.3230 300.3948 -39.9346 -7.4686 558058.6700 5.8106 5.8078 PRESSURE: 2997200 -60.6991 -75.8095 29.8225 -75.8082 -109.654 19.2004 29.8234 19.202 3.15956 GPRESSURE: 2997200 10.6785 -37.1749 135.819 -31.8398 -115.14 55.5955 -45.2027 7.98305 31.7437 PRESSAVG: 2997200 -8.55552 13.605 -4.73591 13.6051 18.5428 -13.9305 -4.73585 -13.9304 1.95007 GPRESSAVG: 2997200 -7.37209 14.558 -5.80641 12.5006 18.2134 -15.5218 -4.37267 -11.096 1.17914 TIMING: 2997200 CPU: 8698.89, 0.00289162/step Wall: 8698.89, 0.00289162/step, 1.6087 hours remaining, 204.097656 MB of memory in use. ENERGY: 2997200 725.9845 2104.8231 1967.2716 114.7213 -205858.6963 17716.5417 0.0000 0.0000 34305.5619 -148923.7922 299.5990 -183229.3541 -148825.7319 300.5573 -55.7313 -24.2391 558381.5463 3.9791 4.0068 PRESSURE: 2997400 205.385 24.8156 38.2892 24.8157 218.692 278.72 38.2899 278.719 -103.108 GPRESSURE: 2997400 204.8 76.663 115.28 -28 240.118 260.871 96.7124 294.423 -22.2706 PRESSAVG: 2997400 7.46448 -42.7028 7.45589 -42.7028 29.5156 15.0765 7.45578 15.0765 23.0453 GPRESSAVG: 2997400 5.93673 -42.3314 8.83843 -42.5587 30.1044 17.608 7.29078 13.1184 23.8791 TIMING: 2997400 CPU: 8699.47, 0.00291444/step Wall: 8699.47, 0.00291444/step, 1.62124 hours remaining, 204.097656 MB of memory in use. ENERGY: 2997400 776.5174 2154.3075 1977.6965 120.1940 -206756.2707 17995.5629 0.0000 0.0000 34658.5346 -149073.4578 302.6816 -183731.9925 -148976.5402 299.4949 106.9898 140.8827 555783.8374 20.0085 19.9734 PRESSURE: 2997600 119.893 -2.72556 7.6643 -2.72469 -68.4447 149.908 7.66452 149.907 59.1598 GPRESSURE: 2997600 178.918 -66.6549 113.784 22.9263 19.7568 97.9459 -13.0133 240.456 15.0202 PRESSAVG: 2997600 -3.77126 -23.791 -15.3279 -23.791 2.64001 21.1346 -15.3278 21.1346 -18.5839 GPRESSAVG: 2997600 -2.82342 -24.9495 -17.161 -23.7482 2.13273 20.4551 -13.592 21.383 -19.2394 TIMING: 2997600 CPU: 8700.05, 0.00290543/step Wall: 8700.05, 0.00290543/step, 1.61606 hours remaining, 204.097656 MB of memory in use. ENERGY: 2997600 806.7322 2099.5290 1955.3895 112.5970 -206200.6087 17955.6257 0.0000 0.0000 34185.5247 -149085.2106 298.5507 -183270.7353 -148988.5990 299.5686 36.8693 71.2318 557249.5349 -6.5717 -6.6434 PRESSURE: 2997800 13.842 -24.6228 -38.7623 -24.6231 -11.885 31.4242 -38.7618 31.4234 24.3172 GPRESSURE: 2997800 80.7476 -35.9234 -96.4229 17.1064 12.2284 26.1562 51.1814 18.1855 26.0503 PRESSAVG: 2997800 5.66819 -7.91384 -26.8517 -7.91384 53.4933 15.4716 -26.8516 15.4717 2.07234 GPRESSAVG: 2997800 5.25691 -6.93975 -28.2515 -7.18707 54.9003 14.6901 -27.3259 16.748 0.938613 TIMING: 2997800 CPU: 8700.63, 0.0029189/step Wall: 8700.63, 0.0029189/step, 1.62339 hours remaining, 204.097656 MB of memory in use. ENERGY: 2997800 777.7021 2125.1221 1961.2515 112.9635 -206379.6430 17828.5943 0.0000 0.0000 34357.8878 -149216.1217 300.0560 -183574.0095 -149121.1522 299.4280 8.7580 39.6754 556045.6192 20.4113 20.3653 PRESSURE: 2998000 -158.715 -83.0511 -96.0328 -83.0512 193.25 -89.2967 -96.0322 -89.2969 -215.704 GPRESSURE: 2998000 -150.882 -75.5017 -215.847 -82.8529 162.879 -96.8611 -39.7965 -79.7697 -91.7526 PRESSAVG: 2998000 -11.6768 -22.4118 -18.0066 -22.4118 4.32264 18.0905 -18.0066 18.0904 -13.5294 GPRESSAVG: 2998000 -11.7824 -21.2976 -17.2626 -24.0722 4.19656 17.5201 -18.1064 17.1264 -13.3546 TIMING: 2998000 CPU: 8701.22, 0.0029061/step Wall: 8701.22, 0.0029061/step, 1.61612 hours remaining, 204.097656 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: 2998000 767.9533 2171.6399 1916.7404 105.6699 -206239.4082 17734.7457 0.0000 0.0000 34241.7493 -149300.9098 299.0417 -183542.6591 -149203.2222 298.8557 -60.3896 -26.5853 556481.3849 -6.9612 -6.9801 PRESSURE: 2998200 -188.812 169.85 -10.2285 169.851 -46.7905 -61.065 -10.229 -61.0642 31.1382 GPRESSURE: 2998200 -97.4677 128.559 -38.9841 163.037 6.57662 -12.9122 -24.4192 20.3333 -9.49576 PRESSAVG: 2998200 24.9939 24.8821 12.27 24.8822 1.09603 -34.5893 12.27 -34.5892 -27.7418 GPRESSAVG: 2998200 24.5697 22.7622 14.8361 26.4573 0.289984 -33.739 10.0109 -34.104 -26.7838 TIMING: 2998200 CPU: 8701.8, 0.00290521/step Wall: 8701.8, 0.00290521/step, 1.61546 hours remaining, 204.097656 MB of memory in use. ENERGY: 2998200 754.5457 2077.0875 1966.4972 117.4998 -206218.7823 17641.5685 0.0000 0.0000 34107.0824 -149554.5012 297.8656 -183661.5835 -149455.5304 298.7097 -68.1548 -33.4623 556039.0336 -0.5506 -0.6414 PRESSURE: 2998400 113.054 -0.729603 30.6914 -0.729509 136.669 2.54729 30.6923 2.54573 45.0243 GPRESSURE: 2998400 146.452 66.5481 68.6873 -118.382 198.456 -69.7402 20.3304 50.0674 30.1169 PRESSAVG: 2998400 3.82176 10.0932 -40.0618 10.0932 4.70496 -14.5811 -40.0618 -14.5811 -6.11667 GPRESSAVG: 2998400 4.8794 11.5203 -40.7712 8.16365 3.78598 -14.7246 -39.8951 -15.5598 -6.372 TIMING: 2998400 CPU: 8702.38, 0.00291447/step Wall: 8702.38, 0.00291447/step, 1.62044 hours remaining, 204.097656 MB of memory in use. ENERGY: 2998400 765.4264 2140.8971 1945.6845 106.5615 -206902.2047 18102.2191 0.0000 0.0000 34351.6153 -149489.8008 300.0012 -183841.4161 -149392.2776 298.3176 98.2492 125.0085 556759.8843 0.8033 0.7645 PRESSURE: 2998600 20.9976 62.4245 41.1424 62.4237 227.108 7.13157 41.1415 7.13149 184.63 GPRESSURE: 2998600 51.4597 52.7467 15.3801 13.5824 258.932 -24.4083 44.6643 -1.44444 215.012 PRESSAVG: 2998600 11.2678 7.22806 5.28051 7.22809 -15.896 -9.85078 5.28052 -9.85077 5.52889 GPRESSAVG: 2998600 10.9106 5.75085 5.47123 7.83853 -15.6354 -10.1254 7.13468 -9.93365 5.85012 TIMING: 2998600 CPU: 8702.96, 0.00290213/step Wall: 8702.96, 0.00290213/step, 1.61342 hours remaining, 204.097656 MB of memory in use. ENERGY: 2998600 767.1388 2113.4727 1981.1324 128.9988 -206968.1407 18236.8776 0.0000 0.0000 34316.7796 -149423.7408 299.6970 -183740.5204 -149322.5360 299.2617 144.2451 175.1346 556465.6901 0.3002 0.3751 PRESSURE: 2998800 -47.414 -84.2404 41.9487 -84.241 73.914 21.1104 41.9476 21.1106 -12.9191 GPRESSURE: 2998800 -24.5972 -56.6034 6.83218 -113.915 87.0116 37.2232 115.345 36.9422 52.7551 PRESSAVG: 2998800 -23.8923 51.4089 29.6132 51.4088 48.8661 16.4928 29.6132 16.4928 -42.0348 GPRESSAVG: 2998800 -24.4104 51.6258 26.8601 51.8357 48.8838 18.3415 29.3866 18.1042 -41.3388 TIMING: 2998800 CPU: 8703.54, 0.00291786/step Wall: 8703.54, 0.00291786/step, 1.62201 hours remaining, 204.097656 MB of memory in use. ENERGY: 2998800 759.5371 2080.7509 1962.8408 118.6474 -206608.3792 17919.8868 0.0000 0.0000 34391.7465 -149374.9697 300.3517 -183766.7161 -149283.9258 299.0651 4.5270 38.3898 555228.6753 -5.6870 -5.6218 PRESSURE: 2999000 -81.1717 22.3695 110.296 22.3692 -271.592 -68.2389 110.295 -68.2386 -229.775 GPRESSURE: 2999000 -23.8038 101.86 175.886 -25.8556 -244.569 -68.6217 33.2077 -31.991 -222.214 PRESSAVG: 2999000 7.99403 63.0504 18.1782 63.0504 15.7816 -6.24049 18.1781 -6.24045 -7.78562 GPRESSAVG: 2999000 8.14427 63.8309 20.6322 62.8369 15.6431 -7.08191 18.7829 -8.49438 -7.84335 TIMING: 2999000 CPU: 8704.13, 0.00291332/step Wall: 8704.13, 0.00291332/step, 1.61932 hours remaining, 204.097656 MB of memory in use. ENERGY: 2999000 768.7506 2122.2255 1980.5950 109.5062 -205887.8253 17482.4809 0.0000 0.0000 34085.8526 -149338.4145 297.6802 -183424.2671 -149242.8815 298.4530 -194.1796 -163.5287 557828.1320 5.3300 5.3147 PRESSURE: 2999200 18.3526 -187.02 5.85422 -187.02 -74.015 -178.234 5.85271 -178.233 35.1933 GPRESSURE: 2999200 45.2734 -36.2162 -19.8249 -129.932 -44.1414 -218.795 23.205 -88.6337 78.9598 PRESSAVG: 2999200 34.2559 -16.9089 -53.2504 -16.9089 34.9536 37.7084 -53.2504 37.7085 -54.7575 GPRESSAVG: 2999200 33.9868 -16.8745 -53.7467 -17.0288 35.7584 35.664 -54.1197 40.5191 -54.9652 TIMING: 2999200 CPU: 8704.71, 0.00291661/step Wall: 8704.71, 0.00291661/step, 1.62099 hours remaining, 204.097656 MB of memory in use. ENERGY: 2999200 741.6869 2074.4699 1950.4116 101.4330 -206298.0805 17860.3799 0.0000 0.0000 34051.2552 -149518.4439 297.3781 -183569.6991 -149425.6512 298.3105 -6.8230 26.6972 557375.0467 4.8173 4.9266 PRESSURE: 2999400 -161.252 72.7656 -126.826 72.7662 53.9001 -11.6972 -126.826 -11.6988 -320.797 GPRESSURE: 2999400 -131.177 41.4543 -65.4377 30.2015 63.0466 23.9743 -171.949 -43.8175 -254.864 PRESSAVG: 2999400 41.2012 -13.8227 -40.7637 -13.8226 -22.5237 28.2667 -40.7638 28.2666 -16.6785 GPRESSAVG: 2999400 41.8655 -14.1494 -41.2427 -13.7311 -24.1869 31.0481 -38.2281 28.3976 -15.5686 TIMING: 2999400 CPU: 8705.29, 0.00291744/step Wall: 8705.29, 0.00291744/step, 1.62129 hours remaining, 204.097656 MB of memory in use. ENERGY: 2999400 773.9021 2111.6792 1957.1722 109.5166 -206411.9923 17726.0382 0.0000 0.0000 34260.1400 -149473.5441 299.2023 -183733.6841 -149378.3497 298.7709 -142.7162 -107.6649 558039.6583 0.6663 0.7033 PRESSURE: 2999600 -238.587 16.3126 108.386 16.3123 13.6184 44.6412 108.386 44.6411 -257.125 GPRESSURE: 2999600 -252.781 12.9941 92.3883 14.9712 62.0751 -22.5615 84.3851 129.397 -189.772 PRESSAVG: 2999600 -44.7278 0.34222 16.7352 0.342284 41.3595 42.3227 16.7352 42.3228 -7.34937 GPRESSAVG: 2999600 -46.1072 -0.477531 17.0959 1.59392 42.946 41.835 15.7503 42.2062 -8.04637 TIMING: 2999600 CPU: 8705.88, 0.00292073/step Wall: 8705.88, 0.00292073/step, 1.62295 hours remaining, 204.097656 MB of memory in use. ENERGY: 2999600 743.8389 2114.6843 1965.1346 113.2018 -206009.5323 17664.5274 0.0000 0.0000 34109.4611 -149298.6842 297.8864 -183408.1453 -149195.7889 298.3975 -160.6977 -126.8259 558753.2094 -3.5726 -3.7359 PRESSURE: 2999800 264.996 -45.5431 -64.9988 -45.5433 7.27191 58.8766 -64.9992 58.8768 269.277 GPRESSURE: 2999800 276.261 -6.60299 -1.93294 -37.4303 54.8804 121.931 -55.6074 28.6637 312.472 PRESSAVG: 2999800 -26.4955 -0.988171 -25.5685 -0.988185 -34.0802 76.4233 -25.5685 76.4232 59.3454 GPRESSAVG: 2999800 -25.7454 -1.30643 -24.5364 -2.26697 -34.3093 77.1759 -27.511 74.282 58.6216 TIMING: 2999800 CPU: 8706.46, 0.002932/step Wall: 8706.46, 0.002932/step, 1.62905 hours remaining, 204.097656 MB of memory in use. ENERGY: 2999800 742.4968 2090.9055 1959.8734 113.2356 -206585.7131 18089.2538 0.0000 0.0000 34413.4105 -149176.5375 300.5409 -183589.9480 -149080.1187 299.1304 180.5150 214.5379 556254.0442 -0.4101 -0.4777 WRITING COORDINATES TO DCD FILE MD.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 -162.207 201.334 -0.856174 201.335 -141.082 179.846 -0.856462 179.847 -153.749 GPRESSURE: 3000000 -156.903 243.417 -47.785 191.811 -118.736 119.025 -14.9202 206.798 -88.766 PRESSAVG: 3000000 -38.7631 -6.00715 -88.7986 -6.00721 25.5827 41.0444 -88.7985 41.0444 15.6899 GPRESSAVG: 3000000 -38.893 -5.82864 -90.4636 -4.60532 24.8478 40.1096 -88.9079 42.3679 16.3477 TIMING: 3000000 CPU: 8707.16, 0.00350459/step Wall: 8707.16, 0.00350459/step, 1.94699 hours remaining, 204.097656 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: 3000000 727.7109 2090.0153 1960.2543 118.0977 -206105.0100 17586.4441 0.0000 0.0000 34407.6071 -149214.8807 300.4902 -183622.4878 -149115.2165 299.0846 -152.3456 -121.4684 558353.8155 0.8365 0.7675 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 PRESSURE: 3000200 -284.034 198.647 -33.192 198.649 -245.766 -86.5048 -33.1922 -86.5037 -173.412 GPRESSURE: 3000200 -222.572 103.965 -23.0907 149.726 -216.708 -143.19 41.6716 -82.8659 -158.247 PRESSAVG: 3000200 -48.8989 65.2539 -29.5917 65.2539 66.3025 15.4221 -29.5917 15.4221 12.7705 GPRESSAVG: 3000200 -49.104 67.2128 -28.8602 63.8431 67.7439 17.1088 -28.2672 14.2142 12.184 TIMING: 3000200 CPU: 8707.77, 0.0030241/step Wall: 8707.77, 0.0030241/step, 1.67989 hours remaining, 204.097656 MB of memory in use. ENERGY: 3000200 736.5719 2133.2280 1940.5275 111.1874 -205857.2626 17440.9826 0.0000 0.0000 34152.1274 -149342.6378 298.2590 -183494.7652 -149242.5057 298.8378 -234.4043 -199.1758 559464.0499 10.0580 10.2746 LDB: ============= START OF LOAD BALANCING ============== 8711.24 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8711.24 LDB: =============== DONE WITH MIGRATION ================ 8711.24 LDB: ============= START OF LOAD BALANCING ============== 8711.53 LDB: Largest compute 4848 load 0.027711 is 23.5% of average load 0.117789 LDB: Average compute 0.001704 is 1.4% of average load 0.117789 LDB: TIME 8711.53 LOAD: AVG 0.117789 MAX 0.178779 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 8711.53 LOAD: AVG 0.117789 MAX 0.178779 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 8711.53 LOAD: AVG 0.117789 MAX 0.178779 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: ============== END OF LOAD BALANCING =============== 8711.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8711.54 PRESSURE: 3000400 -49.1395 -144.209 3.36585 -144.209 -128.638 -302.648 3.36547 -302.647 -264.029 GPRESSURE: 3000400 -32.7517 -103.259 -39.785 -191.234 -126.84 -216.636 77.8926 -240.43 -199.654 PRESSAVG: 3000400 -22.4695 -31.0385 -9.61442 -31.0385 1.1733 -47.6282 -9.61444 -47.6281 -20.3413 GPRESSAVG: 3000400 -23.2632 -33.9918 -12.2413 -29.5713 0.693074 -48.8568 -8.52284 -45.6047 -19.0847 TIMING: 3000400 CPU: 8708.37, 0.00298198/step Wall: 8708.37, 0.00298198/step, 1.65633 hours remaining, 206.660156 MB of memory in use. ENERGY: 3000400 722.3731 2162.3743 1957.4262 118.3854 -205853.1546 17567.3545 0.0000 0.0000 34235.2622 -149089.9788 298.9851 -183325.2410 -149003.0646 298.7531 -147.2689 -119.7487 559349.1219 -13.8792 -13.8849 PRESSURE: 3000600 35.5345 57.2037 -47.9098 57.2047 -93.9585 -97.9799 -47.9108 -97.9806 -164.12 GPRESSURE: 3000600 31.1854 101.456 -75.3472 -34.5654 -30.1569 -183.795 -102.313 -5.85231 -131.579 PRESSAVG: 3000600 18.4922 16.9892 9.97686 16.9892 -87.4991 3.27359 9.97681 3.27353 35.2025 GPRESSAVG: 3000600 19.372 17.2877 13.2958 16.7729 -87.3822 3.42052 7.49332 2.43741 34.1613 TIMING: 3000600 CPU: 8708.95, 0.00291813/step Wall: 8708.95, 0.00291813/step, 1.6207 hours remaining, 206.863281 MB of memory in use. ENERGY: 3000600 732.1946 2105.0561 1948.8613 111.5658 -205773.0736 17730.3423 0.0000 0.0000 34108.1679 -149036.8856 297.8751 -183145.0535 -148939.8868 299.7296 -74.1814 -43.5169 560048.8013 -11.2681 -11.2830 PRESSURE: 3000800 -77.4602 77.0357 -88.792 77.0345 -74.3079 -261.203 -88.7926 -261.204 63.5706 GPRESSURE: 3000800 -16.5143 74.7107 -12.6295 70.654 -67.1287 -215.008 -176.282 -219.801 99.889 PRESSAVG: 3000800 22.5958 22.1063 3.70643 22.1062 -68.6667 -2.79603 3.70643 -2.79602 38.2919 GPRESSAVG: 3000800 22.7857 24.6957 4.1104 20.3687 -69.9814 -0.789972 2.04781 -4.44851 38.9534 TIMING: 3000800 CPU: 8709.53, 0.0029101/step Wall: 8709.53, 0.0029101/step, 1.61608 hours remaining, 206.863281 MB of memory in use. ENERGY: 3000800 728.0464 2089.0824 1968.3782 129.3566 -205743.0120 17639.0477 0.0000 0.0000 34274.3876 -148914.7131 299.3268 -183189.1007 -148825.1670 299.5978 -29.3992 5.4153 558899.0370 -2.5930 -2.7474 PRESSURE: 3001000 82.0206 103.851 18.128 103.851 -58.3583 -107.32 18.1284 -107.32 342.299 GPRESSURE: 3001000 159.209 106.932 31.2091 88.8867 -28.0142 -128.679 -22.45 -14.0468 329.631 PRESSAVG: 3001000 15.4367 -4.02409 -8.45827 -4.02406 -47.1115 -24.0879 -8.45812 -24.0879 62.6089 GPRESSAVG: 3001000 16.2593 -6.60233 -9.21927 -3.22077 -46.9461 -25.0132 -6.53239 -21.8406 61.2252 TIMING: 3001000 CPU: 8710.12, 0.00296369/step Wall: 8710.12, 0.00296369/step, 1.64567 hours remaining, 206.863281 MB of memory in use. ENERGY: 3001000 740.8390 2092.8787 1968.1120 113.4069 -205979.2335 18060.0512 0.0000 0.0000 34297.3790 -148706.5667 299.5275 -183003.9457 -148606.5801 300.2245 121.9869 153.6083 560000.2089 10.3114 10.1795 PRESSURE: 3001200 -16.1278 6.57989 -182.804 6.57971 -102.009 -16.5571 -182.805 -16.5558 35.0883 GPRESSURE: 3001200 5.59984 -22.6636 -300.129 -124.921 -10.5359 -7.38643 -141.049 30.3246 17.4321 PRESSAVG: 3001200 12.3064 -3.68618 29.3352 -3.68622 -54.9458 10.3031 29.3352 10.3032 88.372 GPRESSAVG: 3001200 11.7801 -3.05263 27.3398 -3.50834 -54.8713 11.4382 29.7127 10.3096 89.3455 TIMING: 3001200 CPU: 8710.71, 0.00292165/step Wall: 8710.71, 0.00292165/step, 1.62216 hours remaining, 206.929688 MB of memory in use. ENERGY: 3001200 741.6552 2123.0055 1957.0145 113.8825 -206057.5242 17880.6404 0.0000 0.0000 34556.9017 -148684.4245 301.7940 -183241.3261 -148590.2112 300.0159 -27.6828 4.1653 558050.5645 15.2442 15.4181 PRESSURE: 3001400 -94.9454 -8.43638 -41.4513 -8.43634 -332.373 154.996 -41.4521 154.996 -10.6649 GPRESSURE: 3001400 -72.1751 -45.7759 -99.053 -29.6643 -283.473 138.148 -62.9463 109.45 25.0144 PRESSAVG: 3001400 46.1017 22.2391 7.83014 22.2391 -56.2982 4.38531 7.83022 4.38529 42.1974 GPRESSAVG: 3001400 45.4161 21.415 7.6594 24.8708 -56.0529 3.71845 6.31745 3.10958 42.3308 TIMING: 3001400 CPU: 8711.29, 0.00292866/step Wall: 8711.29, 0.00292866/step, 1.6259 hours remaining, 206.929688 MB of memory in use. ENERGY: 3001400 745.1815 2038.3684 1974.3761 108.9487 -205468.2852 17479.9100 0.0000 0.0000 34346.6668 -148774.8338 299.9580 -183121.5006 -148682.4317 300.5933 -145.9944 -110.2114 558290.6499 10.6670 10.5646 PRESSURE: 3001600 -57.5209 101.712 -171.51 101.712 -267.122 -46.3028 -171.51 -46.3019 69.8054 GPRESSURE: 3001600 6.56851 83.8973 -179.121 142.686 -195.71 -25.6331 -121.288 -115.524 33.2226 PRESSAVG: 3001600 -36.5968 26.7452 -23.5236 26.7453 -22.9901 4.78856 -23.5237 4.78845 77.9942 GPRESSAVG: 3001600 -35.3721 29.5573 -21.8815 24.1653 -24.491 5.40077 -21.8271 3.71764 78.8228 TIMING: 3001600 CPU: 8711.88, 0.00293767/step Wall: 8711.88, 0.00293767/step, 1.63073 hours remaining, 206.929688 MB of memory in use. ENERGY: 3001600 753.5234 2044.9239 1957.8810 110.2276 -205656.2610 17694.0017 0.0000 0.0000 34277.3292 -148818.3741 299.3524 -183095.7033 -148717.2953 299.9137 -84.9457 -51.9730 559121.4478 6.1358 6.3199 PRESSURE: 3001800 -15.3165 -143.837 91.4723 -143.836 180.853 -68.2192 91.4721 -68.2186 380.199 GPRESSURE: 3001800 38.8462 -159.652 -19.4725 -106.915 185.684 1.74597 39.9502 -110.751 401.645 PRESSAVG: 3001800 25.2937 42.513 -18.5156 42.513 -29.3726 30.2787 -18.5156 30.2788 31.2039 GPRESSAVG: 3001800 25.1527 40.9953 -17.4151 42.8876 -28.1898 30.2541 -19.2429 31.085 29.7485 TIMING: 3001800 CPU: 8712.47, 0.0029293/step Wall: 8712.47, 0.0029293/step, 1.62592 hours remaining, 206.929688 MB of memory in use. ENERGY: 3001800 736.5719 2075.0280 1958.6025 125.3269 -206084.7719 18076.6549 0.0000 0.0000 34154.9013 -148957.6864 298.2832 -183112.5877 -148857.9376 299.6478 181.9117 208.7252 556513.5538 9.0416 8.9038 PRESSURE: 3002000 -3.54738 208.225 8.09701 208.224 325.259 68.3014 8.09619 68.3024 -134.206 GPRESSURE: 3002000 38.5441 232.111 -21.3882 151.213 349.289 23.3761 -13.5098 62.91 -85.9373 PRESSAVG: 3002000 -34.9899 52.8139 -17.3133 52.8139 -8.66928 12.4409 -17.3134 12.4408 78.3567 GPRESSAVG: 3002000 -34.9138 53.4679 -17.9005 52.5651 -9.0502 11.8337 -17.826 14.1885 78.4053 TIMING: 3002000 CPU: 8713.05, 0.0029053/step Wall: 8713.05, 0.0029053/step, 1.61244 hours remaining, 206.929688 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: 3002000 755.5809 2087.5711 1970.9848 132.8934 -205997.6347 17868.1568 0.0000 0.0000 34154.4334 -149028.0143 298.2792 -183182.4477 -148928.4221 299.8614 62.5017 100.6319 558352.0318 11.5658 11.4804 PRESSURE: 3002200 -321.581 4.19389 -101.718 4.19369 22.5083 149.54 -101.719 149.541 84.6664 GPRESSURE: 3002200 -285.433 -52.4893 -4.62421 8.2769 69.0372 36.962 -101.515 142.678 97.9479 PRESSAVG: 3002200 -38.1928 48.07 21.5477 48.07 12.1241 -23.9277 21.5476 -23.9277 -18.1153 GPRESSAVG: 3002200 -38.1227 47.827 21.415 48.0316 12.4347 -25.3289 22.1552 -24.0287 -18.0051 TIMING: 3002200 CPU: 8713.63, 0.00289252/step Wall: 8713.63, 0.00289252/step, 1.60519 hours remaining, 206.929688 MB of memory in use. ENERGY: 3002200 763.7236 2099.6300 1971.0910 109.8902 -205987.7341 17733.8399 0.0000 0.0000 34300.4510 -149009.1082 299.5544 -183309.5592 -148913.1731 299.2617 -71.4689 -39.4825 559758.9789 -14.7280 -14.5644 PRESSURE: 3002400 -155.939 -165.21 21.492 -165.209 -2.98212 16.8108 21.4924 16.8105 -41.1706 GPRESSURE: 3002400 -99.6355 -145.606 17.9532 -181.327 -14.5659 70.3226 101.716 12.7688 7.07095 PRESSAVG: 3002400 -75.0984 -42.6373 -7.72038 -42.6373 -13.8867 28.8464 -7.72039 28.8464 57.0019 GPRESSAVG: 3002400 -75.5802 -43.0051 -6.48021 -43.2447 -13.1014 31.4618 -7.72035 27.3987 56.9834 TIMING: 3002400 CPU: 8714.2, 0.00286594/step Wall: 8714.2, 0.00286594/step, 1.59028 hours remaining, 206.929688 MB of memory in use. ENERGY: 3002400 720.2277 2105.9972 1953.3570 111.2730 -206161.9466 17900.8661 0.0000 0.0000 34427.1917 -148943.0340 300.6612 -183370.2257 -148849.3135 300.1629 -66.6973 -35.7101 558996.6156 -10.6610 -10.5661 PRESSURE: 3002600 -16.0792 109.635 -67.5791 109.635 -109.245 183.49 -67.5795 183.49 87.4234 GPRESSURE: 3002600 62.6456 76.7021 -192.346 94.5242 -71.8353 161.773 -28.3351 212.057 60.2724 PRESSAVG: 3002600 -30.0872 3.07361 -3.00621 3.07357 6.72838 -6.91372 -3.00631 -6.91375 -3.60007 GPRESSAVG: 3002600 -30.8271 2.01323 -4.38055 4.68271 6.13337 -8.54646 -2.82563 -6.74392 -2.72954 TIMING: 3002600 CPU: 8714.77, 0.0028708/step Wall: 8714.77, 0.0028708/step, 1.59282 hours remaining, 206.929688 MB of memory in use. ENERGY: 3002600 771.9951 2068.8804 1973.8636 121.6598 -206330.3626 17886.0591 0.0000 0.0000 34421.6880 -149086.2165 300.6132 -183507.9046 -148987.5956 299.8305 -12.6337 17.0276 557914.3019 -8.9863 -9.1411 PRESSURE: 3002800 -97.5345 -34.0218 50.1584 -34.0206 -31.4661 -17.4354 50.1598 -17.4334 83.9236 GPRESSURE: 3002800 -73.6266 -83.518 22.3912 -24.2626 32.9027 -160.436 109.17 92.4729 72.4965 PRESSAVG: 3002800 13.896 8.37736 28.9037 8.37732 -57.5042 74.7039 28.9037 74.704 25.4965 GPRESSAVG: 3002800 14.9161 9.26775 29.413 7.79077 -57.6286 74.537 27.5313 75.1596 24.72 TIMING: 3002800 CPU: 8715.35, 0.00287016/step Wall: 8715.35, 0.00287016/step, 1.5923 hours remaining, 206.929688 MB of memory in use. ENERGY: 3002800 758.2571 2064.2090 1971.3720 101.8289 -206248.8920 17912.5208 0.0000 0.0000 34223.3519 -149217.3523 298.8810 -183440.7042 -149112.4519 299.2368 -15.0256 10.5909 558547.1683 -6.0372 -5.9975 PRESSURE: 3003000 49.2555 84.8163 -23.388 84.817 150.089 113.979 -23.3873 113.978 -39.383 GPRESSURE: 3003000 78.218 47.7323 -17.0445 139.06 141.348 103.237 -33.737 73.8307 23.7894 PRESSAVG: 3003000 -53.4492 17.3564 -39.5902 17.3565 18.2865 -19.3722 -39.5901 -19.3723 11.6536 GPRESSAVG: 3003000 -53.2577 15.82 -40.9352 18.6211 18.1648 -18.9124 -37.6553 -20.0654 12.1942 TIMING: 3003000 CPU: 8715.92, 0.00286841/step Wall: 8715.92, 0.00286841/step, 1.59117 hours remaining, 206.929688 MB of memory in use. ENERGY: 3003000 724.4343 2075.5041 1965.6393 121.1549 -206413.2001 17970.0000 0.0000 0.0000 34246.0757 -149310.3917 299.0795 -183556.4674 -149209.4938 298.8023 53.3206 81.1186 557193.3016 -7.8363 -7.6329 PRESSURE: 3003200 -139.649 5.29128 -12.2696 5.29107 -245.904 55.0867 -12.2692 55.085 158.364 GPRESSURE: 3003200 -128.249 136.227 -40.806 -3.57533 -245.697 91.967 -40.695 83.2302 230.083 PRESSAVG: 3003200 -50.7621 -15.8881 13.1873 -15.8882 -7.09873 18.4823 13.1872 18.4822 76.5622 GPRESSAVG: 3003200 -50.684 -15.3127 15.4312 -18.0854 -7.77549 18.9131 11.3793 18.424 77.1686 TIMING: 3003200 CPU: 8716.5, 0.00289519/step Wall: 8716.5, 0.00289519/step, 1.60586 hours remaining, 206.929688 MB of memory in use. ENERGY: 3003200 775.7133 2085.9936 1989.9206 119.3232 -206217.9709 17837.0659 0.0000 0.0000 34258.1527 -149151.8017 299.1850 -183409.9544 -149062.1728 299.1895 -75.7293 -47.9544 557489.1191 6.2338 6.2364 PRESSURE: 3003400 -162.013 75.8581 39.0814 75.8572 -52.0746 82.9245 39.0827 82.9263 -257.845 GPRESSURE: 3003400 -100.493 -15.3842 36.4941 114.052 1.53151 39.3751 30.3804 88.5592 -281.576 PRESSAVG: 3003400 -29.1254 32.2641 6.71387 32.2642 43.4385 -47.1353 6.71381 -47.1353 -26.4142 GPRESSAVG: 3003400 -29.3845 32.2465 4.54785 34.5057 43.6663 -48.7661 7.61229 -47.2943 -26.591 TIMING: 3003400 CPU: 8717.08, 0.00287927/step Wall: 8717.08, 0.00287927/step, 1.59688 hours remaining, 206.929688 MB of memory in use. ENERGY: 3003400 742.8398 2064.1552 1952.8200 105.1343 -206026.8857 17761.6945 0.0000 0.0000 34224.2908 -149175.9511 298.8892 -183400.2419 -149081.8056 299.5177 -157.3108 -126.8457 558372.8676 -4.0337 -4.1030 PRESSURE: 3003600 64.2442 14.7597 -14.3488 14.7591 -144.404 72.065 -14.3493 72.0658 137.535 GPRESSURE: 3003600 105.712 18.8868 -35.3376 31.6118 -144.934 73.6117 -24.5683 136.613 187.068 PRESSAVG: 3003600 -33.941 -1.33381 26.0821 -1.3338 31.6761 -55.3713 26.082 -55.3714 8.66921 GPRESSAVG: 3003600 -33.1055 1.21554 25.3702 -3.5056 31.1615 -52.4771 26.1673 -54.7133 8.25334 TIMING: 3003600 CPU: 8717.65, 0.00287573/step Wall: 8717.65, 0.00287573/step, 1.59475 hours remaining, 206.929688 MB of memory in use. ENERGY: 3003600 719.4156 2117.1003 1931.2568 98.6936 -206243.4872 17852.8691 0.0000 0.0000 34180.4214 -149343.7305 298.5061 -183524.1519 -149243.5457 298.8807 19.1251 49.2821 557329.8686 2.1348 2.1031 PRESSURE: 3003800 -40.1478 72.5987 -228.918 72.5981 56.0445 62.5394 -228.919 62.5398 26.2889 GPRESSURE: 3003800 -16.1243 -9.80328 -308.01 198.471 138.98 71.3719 -137.129 42.1727 20.314 PRESSAVG: 3003800 -35.659 -27.0364 -11.0823 -27.0365 67.9982 13.9509 -11.0822 13.9507 -17.7377 GPRESSAVG: 3003800 -36.1266 -28.297 -13.0202 -26.3868 68.1191 12.7896 -8.93042 13.6781 -17.4281 TIMING: 3003800 CPU: 8718.22, 0.00286443/step Wall: 8718.22, 0.00286443/step, 1.58833 hours remaining, 206.929688 MB of memory in use. ENERGY: 3003800 760.1260 2057.3761 1925.7469 96.2895 -206141.1069 17814.0157 0.0000 0.0000 34224.5346 -149263.0181 298.8914 -183487.5527 -149163.7127 298.7096 14.0619 47.7233 557050.5040 4.8672 4.8548 PRESSURE: 3004000 330.158 -34.8931 13.9648 -34.8932 269.525 -25.3865 13.964 -25.3863 46.6448 GPRESSURE: 3004000 305.708 25.76 128.369 -121.397 316.861 -55.6934 -52.163 0.565184 124.01 PRESSAVG: 3004000 34.0086 -18.4324 -12.6732 -18.4325 31.905 -32.8223 -12.6731 -32.8224 -23.2361 GPRESSAVG: 3004000 33.0376 -18.2301 -10.266 -19.3018 32.696 -35.2591 -13.8558 -31.2452 -22.725 TIMING: 3004000 CPU: 8718.8, 0.00289146/step Wall: 8718.8, 0.00289146/step, 1.60315 hours remaining, 206.929688 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: 3004000 719.0272 2123.2726 1984.0635 118.8618 -206308.8284 17963.7884 0.0000 0.0000 34197.9905 -149201.8245 298.6596 -183399.8150 -149105.2567 299.0016 215.4427 248.8595 556439.5629 14.2258 14.3362 PRESSURE: 3004200 123.438 -0.981774 75.0288 -0.980876 -89.4094 112.411 75.0294 112.41 -92.1516 GPRESSURE: 3004200 185.935 -9.38393 133.866 -48.092 -46.2031 86.3261 39.9034 78.2294 -104.734 PRESSAVG: 3004200 16.002 22.5787 -13.6892 22.5787 17.0125 -31.9123 -13.6892 -31.9123 -28.6835 GPRESSAVG: 3004200 16.0726 22.5902 -11.062 22.8353 16.9847 -30.2367 -14.9933 -31.0794 -29.0769 TIMING: 3004200 CPU: 8719.38, 0.00290841/step Wall: 8719.38, 0.00290841/step, 1.61239 hours remaining, 206.996094 MB of memory in use. ENERGY: 3004200 726.5356 2058.1890 1981.4949 111.9896 -206055.4639 17739.2392 0.0000 0.0000 34245.1357 -149192.8800 299.0713 -183438.0157 -149095.8066 300.0371 -19.3745 11.6660 557079.8090 1.4437 1.3268 LDB: ============= START OF LOAD BALANCING ============== 8722.85 LDB: ============== END OF LOAD BALANCING =============== 8722.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8722.85 LDB: ============= START OF LOAD BALANCING ============== 8723.14 LDB: Largest compute 4848 load 0.027877 is 23.7% of average load 0.117815 LDB: Average compute 0.001705 is 1.4% of average load 0.117815 LDB: TIME 8723.15 LOAD: AVG 0.117815 MAX 0.178824 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.688 MB LDB: TIME 8723.15 LOAD: AVG 0.117815 MAX 0.178824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: TIME 8723.15 LOAD: AVG 0.117815 MAX 0.178824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.688 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8723.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8723.15 PRESSURE: 3004400 -435.736 -125.908 -31.3115 -125.908 64.0039 -7.29043 -31.3123 -7.29069 -162.943 GPRESSURE: 3004400 -407.883 -32.4251 -43.5418 -106.007 89.8701 -43.1409 -10.9138 6.37791 -130.288 PRESSAVG: 3004400 -36.1733 17.0036 43.3697 17.0037 50.6941 -2.7953 43.3697 -2.79522 -19.2521 GPRESSAVG: 3004400 -36.1874 15.1074 42.3014 18.7759 50.4994 -3.56634 44.8806 -5.32618 -19.4084 TIMING: 3004400 CPU: 8719.98, 0.00297203/step Wall: 8719.98, 0.00297203/step, 1.6475 hours remaining, 205.949219 MB of memory in use. ENERGY: 3004400 720.5194 2043.4898 1984.3050 108.4270 -205754.0488 17520.2057 0.0000 0.0000 34169.9716 -149207.1302 298.4149 -183377.1018 -149109.8975 299.1418 -178.2251 -149.4338 558127.4082 -1.5771 -1.6988 PRESSURE: 3004600 13.956 19.7506 130.955 19.7506 -165.789 -90.1641 130.954 -90.1638 -109.405 GPRESSURE: 3004600 45.8513 -51.9941 194.418 -14.0018 -122.511 -137.868 106.641 -100.269 -84.9526 PRESSAVG: 3004600 0.00449253 35.21 8.82776 35.21 -14.4424 5.46712 8.82776 5.46713 -3.86549 GPRESSAVG: 3004600 -0.0480947 34.5987 8.13875 32.8314 -14.5806 4.95824 7.78469 7.41669 -3.31356 TIMING: 3004600 CPU: 8720.56, 0.00291271/step Wall: 8720.56, 0.00291271/step, 1.61445 hours remaining, 205.949219 MB of memory in use. ENERGY: 3004600 770.2097 2090.4358 1951.3698 117.4861 -206037.7396 17739.4606 0.0000 0.0000 34259.9384 -149108.8392 299.2006 -183368.7776 -149010.9919 299.5541 -87.0793 -53.8709 557150.5938 -6.1011 -5.9808 PRESSURE: 3004800 81.6032 65.8861 -97.2285 65.8864 -22.3175 -112.823 -97.2297 -112.822 19.3224 GPRESSURE: 3004800 134.674 132.384 -71.5801 85.8644 -18.7457 -76.8802 -107.451 -115.816 63.8135 PRESSAVG: 3004800 36.355 19.3933 -0.963231 19.3932 -16.8146 -35.4386 -0.963189 -35.4386 -28.5273 GPRESSAVG: 3004800 37.0846 20.2799 0.632148 21.7933 -16.7218 -34.5113 -0.714068 -36.9503 -29.5007 TIMING: 3004800 CPU: 8721.14, 0.00290249/step Wall: 8721.14, 0.00290249/step, 1.60862 hours remaining, 206.207031 MB of memory in use. ENERGY: 3004800 767.1910 2112.7678 1949.9857 111.5271 -206367.7383 18000.8338 0.0000 0.0000 34317.1159 -149108.3169 299.6999 -183425.4329 -149012.6657 299.4756 26.2027 59.9140 556308.3842 -2.9956 -3.0460 PRESSURE: 3005000 -93.7683 27.865 -115.833 27.865 5.09454 -85.1277 -115.831 -85.128 -169.377 GPRESSURE: 3005000 -84.2311 59.6183 -218.863 -26.2529 88.9543 -0.341833 -126.075 -68.3068 -174.57 PRESSAVG: 3005000 32.2722 16.0061 32.5722 16.0061 -5.45538 -56.9945 32.5723 -56.9947 6.35602 GPRESSAVG: 3005000 31.7508 16.2076 29.7996 14.8531 -4.08975 -55.1972 31.1323 -55.9062 5.98727 TIMING: 3005000 CPU: 8721.73, 0.0029145/step Wall: 8721.73, 0.0029145/step, 1.61512 hours remaining, 206.207031 MB of memory in use. ENERGY: 3005000 776.3058 2108.5310 1994.1717 127.6323 -206058.1451 17699.6679 0.0000 0.0000 34158.5891 -149193.2472 298.3155 -183351.8363 -149098.7596 298.8691 -86.0171 -56.6156 558124.6603 11.0576 11.2161 PRESSURE: 3005200 302.781 -90.2366 -118.839 -90.2366 -127.805 -112.361 -118.84 -112.362 -49.3311 GPRESSURE: 3005200 349.905 -38.341 -74.258 -55.9111 -75.9576 -128.569 -193.406 -69.3787 -52.5148 PRESSAVG: 3005200 66.145 -47.5302 23.2982 -47.5302 -85.1473 14.6734 23.2981 14.6735 4.75725 GPRESSAVG: 3005200 65.2367 -46.9216 24.1199 -46.4737 -85.153 13.9618 24.3127 15.6737 5.50312 TIMING: 3005200 CPU: 8722.31, 0.00291172/step Wall: 8722.31, 0.00291172/step, 1.61341 hours remaining, 206.289062 MB of memory in use. ENERGY: 3005200 723.3960 2095.9958 1981.1346 111.6996 -206164.8165 17802.6968 0.0000 0.0000 34394.1670 -149055.7267 300.3728 -183449.8937 -148963.0963 299.0425 41.8816 73.8108 557634.3561 -4.7483 -4.8044 PRESSURE: 3005400 293.634 -7.56092 -24.4621 -7.56115 -65.8457 77.0372 -24.4613 77.0386 -312.355 GPRESSURE: 3005400 270.68 -58.6157 -47.8004 -6.24705 3.05132 97.9239 46.6195 97.6012 -257.66 PRESSAVG: 3005400 41.7456 -16.4568 7.77228 -16.4569 -60.4967 74.6499 7.77229 74.6498 -10.6528 GPRESSAVG: 3005400 43.1616 -17.2707 8.12049 -16.5398 -61.2588 75.2528 8.51916 72.5265 -11.8594 TIMING: 3005400 CPU: 8722.89, 0.00290367/step Wall: 8722.89, 0.00290367/step, 1.60879 hours remaining, 206.289062 MB of memory in use. ENERGY: 3005400 755.8294 2113.7752 1987.0935 116.5983 -206429.1916 18157.3642 0.0000 0.0000 34131.9182 -149166.6128 298.0825 -183298.5309 -149073.1220 299.3208 -28.1886 5.3572 559563.0542 -9.8013 -9.9855 PRESSURE: 3005600 -186.407 71.3871 -10.0868 71.3868 -292.919 -94.3377 -10.0843 -94.3353 137.279 GPRESSURE: 3005600 -112.734 77.5009 -8.19922 17.2102 -287.299 3.51439 -5.04939 -30.8145 147.141 PRESSAVG: 3005600 -65.2613 -59.3665 22.8682 -59.3665 -86.5454 -45.2591 22.8681 -45.2592 130.145 GPRESSAVG: 3005600 -65.0065 -58.7156 20.937 -60.0294 -86.0184 -45.543 23.7944 -44.168 129.889 TIMING: 3005600 CPU: 8723.47, 0.00288813/step Wall: 8723.47, 0.00288813/step, 1.60002 hours remaining, 206.289062 MB of memory in use. ENERGY: 3005600 752.7328 2152.1168 1975.6924 106.8023 -205968.0707 17726.1150 0.0000 0.0000 34269.1561 -148985.4553 299.2811 -183254.6114 -148894.5512 299.4417 -114.0155 -84.2973 557881.3063 -7.2206 -7.0452 PRESSURE: 3005800 4.87674 -102.376 -5.38552 -102.376 -34.1521 47.0877 -5.38673 47.0871 -6.58154 GPRESSURE: 3005800 -5.56177 -16.4028 -17.2939 -63.2945 -11.8522 -1.02621 42.4583 61.18 67.032 PRESSAVG: 3005800 -32.1394 -8.35748 84.8243 -8.35757 -71.5807 14.2898 84.8243 14.2898 81.0241 GPRESSAVG: 3005800 -32.7245 -8.6543 84.6738 -8.7243 -71.4087 11.2813 82.844 16.2487 81.4656 TIMING: 3005800 CPU: 8724.04, 0.00288194/step Wall: 8724.04, 0.00288194/step, 1.59644 hours remaining, 206.289062 MB of memory in use. ENERGY: 3005800 788.2752 2089.6004 1973.6726 105.4894 -206217.4449 17913.0932 0.0000 0.0000 34291.7895 -149055.5246 299.4787 -183347.3141 -148961.8781 299.7996 -11.9523 16.5393 557632.3232 -7.5653 -7.5559 PRESSURE: 3006000 -30.9849 155.452 -29.4423 155.452 125.76 -3.94123 -29.443 -3.94223 -94.9571 GPRESSURE: 3006000 8.65243 189.605 -25.667 44.3333 188.791 81.2994 3.77854 -8.58206 -100.255 PRESSAVG: 3006000 10.9337 12.8589 -4.03744 12.8588 -55.9993 54.8888 -4.0374 54.8887 37.3723 GPRESSAVG: 3006000 10.7614 13.3092 -2.88125 12.4602 -55.3204 56.8896 -3.15846 53.7911 37.0375 TIMING: 3006000 CPU: 8724.62, 0.00290581/step Wall: 8724.62, 0.00290581/step, 1.6095 hours remaining, 206.289062 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: 3006000 777.6020 2117.8210 1954.1545 110.0549 -206000.8134 17791.6876 0.0000 0.0000 34202.5565 -149046.9369 298.6994 -183249.4934 -148954.0705 299.4808 -0.0606 32.3960 557240.0753 -2.5644 -2.5071 PRESSURE: 3006200 -405.456 -104.37 -114.1 -104.369 -102.12 7.27269 -114.1 7.27168 105.257 GPRESSURE: 3006200 -363.879 -98.063 -21.4352 -72.6659 -45.5034 7.00208 -243.542 9.25788 107.213 PRESSAVG: 3006200 40.7387 41.141 21.5429 41.141 3.19313 3.49873 21.5428 3.49865 -38.2163 GPRESSAVG: 3006200 40.8028 42.5637 22.4845 41.3903 2.57964 4.91269 21.6428 1.218 -37.3031 TIMING: 3006200 CPU: 8725.2, 0.00289545/step Wall: 8725.2, 0.00289545/step, 1.6036 hours remaining, 206.289062 MB of memory in use. ENERGY: 3006200 731.4183 2106.5071 1935.2437 123.0675 -206189.2971 17828.1249 0.0000 0.0000 34260.0692 -149204.8664 299.2017 -183464.9356 -149110.7180 299.3161 -134.1060 -100.7231 559030.9766 1.9052 2.0265 PRESSURE: 3006400 -142.003 -17.0486 191.867 -17.0493 103.189 -1.5219 191.865 -1.52166 113.539 GPRESSURE: 3006400 -97.5607 48.6842 237.985 -98.4256 102.982 16.2261 136.804 12.1995 158.812 PRESSAVG: 3006400 -24.4036 -3.49571 40.5123 -3.4957 11.5958 4.11703 40.5123 4.11715 39.0387 GPRESSAVG: 3006400 -24.8054 -5.28981 39.443 -2.69856 10.1052 4.08932 40.8577 6.07506 41.0073 TIMING: 3006400 CPU: 8725.78, 0.00288459/step Wall: 8725.78, 0.00288459/step, 1.59742 hours remaining, 206.289062 MB of memory in use. ENERGY: 3006400 752.0730 2102.1349 1947.1234 111.0548 -206465.9189 18044.9738 0.0000 0.0000 34319.1601 -149189.3988 299.7178 -183508.5589 -149081.1012 299.3511 24.9083 54.7445 558606.4889 8.7436 8.7690 PRESSURE: 3006600 319.082 -60.4742 -18.2827 -60.4746 -169.51 0.261593 -18.2825 0.261217 241.13 GPRESSURE: 3006600 323.04 -107.405 -70.7394 -55.7756 -121.874 -5.02193 -0.310622 17.092 291.644 PRESSAVG: 3006600 6.28362 -23.1721 50.5817 -23.1722 -18.1656 -54.3299 50.5816 -54.33 -5.20234 GPRESSAVG: 3006600 6.89381 -22.977 50.8937 -22.731 -16.3033 -53.7893 49.1539 -56.3413 -7.97557 TIMING: 3006600 CPU: 8726.36, 0.00288944/step Wall: 8726.36, 0.00288944/step, 1.59995 hours remaining, 206.289062 MB of memory in use. ENERGY: 3006600 738.1590 2155.4619 1952.7008 111.6825 -206497.4400 17975.0175 0.0000 0.0000 34342.3785 -149222.0398 299.9205 -183564.4183 -149122.1837 299.2482 130.2341 164.2698 557374.9841 -5.6948 -5.7950 PRESSURE: 3006800 -112.302 17.3413 16.8432 17.3409 -267.952 81.968 16.8417 81.9679 -187.425 GPRESSURE: 3006800 -90.3178 8.6725 -32.0163 2.48304 -215.397 132.856 -34.6525 33.9642 -169.969 PRESSAVG: 3006800 -61.0094 -29.6575 25.9194 -29.6577 16.4104 20.5154 25.9194 20.5154 51.4583 GPRESSAVG: 3006800 -62.152 -29.9875 24.0281 -29.7427 16.4844 19.0708 27.2375 22.5488 52.2486 TIMING: 3006800 CPU: 8726.93, 0.00287982/step Wall: 8726.93, 0.00287982/step, 1.59446 hours remaining, 206.289062 MB of memory in use. ENERGY: 3006800 723.2336 2126.4051 1936.0941 111.3247 -205723.4629 17471.2111 0.0000 0.0000 34233.4968 -149121.6975 298.9696 -183355.1943 -149017.7592 299.4521 -189.2264 -158.5612 558647.7351 2.2864 2.1936 PRESSURE: 3007000 -0.342173 28.2204 -31.1009 28.221 -198.123 44.9221 -31.1009 44.9208 -43.8307 GPRESSURE: 3007000 19.9305 2.41525 -102.621 42.5014 -130.915 -43.7086 -15.7506 42.78 -34.609 PRESSAVG: 3007000 14.1833 24.0443 15.7378 24.0442 7.30763 -10.0325 15.7377 -10.0325 20.6806 GPRESSAVG: 3007000 15.4349 25.4343 15.6179 24.7814 7.32592 -10.4797 16.2596 -9.52257 19.6159 TIMING: 3007000 CPU: 8727.51, 0.00288179/step Wall: 8727.51, 0.00288179/step, 1.59539 hours remaining, 206.289062 MB of memory in use. ENERGY: 3007000 739.2440 2126.6602 1959.0253 112.3066 -205570.3149 17538.0727 0.0000 0.0000 34130.5059 -148964.5003 298.0702 -183095.0062 -148871.6660 300.0125 -80.7653 -48.5311 557737.4859 14.0572 14.1256 PRESSURE: 3007200 -18.0458 -135.312 -134.729 -135.312 142.167 -107.717 -134.73 -107.717 35.9843 GPRESSURE: 3007200 43.8665 -226.614 -90.0456 -25.3129 109.311 -93.6299 -183.258 -50.9623 98.0803 PRESSAVG: 3007200 -5.6481 65.1183 22.8837 65.1184 48.375 -19.2702 22.8837 -19.2701 -38.4342 GPRESSAVG: 3007200 -6.50503 63.3728 22.4624 66.154 48.8451 -18.5753 24.8111 -20.0726 -38.3116 TIMING: 3007200 CPU: 8728.09, 0.00287977/step Wall: 8728.09, 0.00287977/step, 1.59411 hours remaining, 206.289062 MB of memory in use. ENERGY: 3007200 710.1304 2121.5991 1957.7271 107.8232 -205996.2027 17730.3372 0.0000 0.0000 34284.0169 -149084.5688 299.4108 -183368.5857 -148994.1188 299.5594 53.3685 83.7525 557491.9832 1.4309 1.3428 PRESSURE: 3007400 305.696 112.119 -7.20291 112.117 -205.904 69.6858 -7.20151 69.6872 205.946 GPRESSURE: 3007400 370.092 82.2823 -59.6534 151.934 -211.788 55.3885 45.6698 132.651 245.041 PRESSAVG: 3007400 8.23739 6.45505 6.352 6.45499 -15.5965 -13.4448 6.35204 -13.4447 29.7221 GPRESSAVG: 3007400 8.7418 7.34201 7.00058 3.02623 -16.0497 -14.9939 3.40305 -12.9845 29.1871 TIMING: 3007400 CPU: 8728.66, 0.00289653/step Wall: 8728.66, 0.00289653/step, 1.60323 hours remaining, 206.289062 MB of memory in use. ENERGY: 3007400 750.0823 2094.3993 1957.9256 109.9290 -206571.8409 18255.5498 0.0000 0.0000 34233.4334 -149170.5215 298.9691 -183403.9549 -149070.1005 299.2945 101.9126 134.4484 556899.8473 7.4543 7.2930 PRESSURE: 3007600 136.39 103.617 88.3722 103.616 47.5548 -165.573 88.3715 -165.573 38.2051 GPRESSURE: 3007600 164.798 149.935 88.2001 24.7773 111.474 -128.986 117.778 -156.88 37.3678 PRESSAVG: 3007600 -5.31728 2.3673 -7.18573 2.36722 -66.5527 -15.7425 -7.18562 -15.7426 59.6247 GPRESSAVG: 3007600 -6.32965 2.89608 -5.87947 2.84475 -66.0849 -14.7793 -8.14768 -20.1617 59.9355 TIMING: 3007600 CPU: 8729.25, 0.00291994/step Wall: 8729.25, 0.00291994/step, 1.61602 hours remaining, 206.289062 MB of memory in use. ENERGY: 3007600 736.1060 2086.0227 1955.8837 124.8287 -205883.3623 17741.1453 0.0000 0.0000 34266.9088 -148972.4671 299.2614 -183239.3759 -148880.8354 298.8140 74.0500 104.5468 557757.6735 -4.0818 -4.1597 PRESSURE: 3007800 78.7673 -3.25267 -0.375313 -3.25209 -194.209 -100.935 -0.374844 -100.933 154.266 GPRESSURE: 3007800 144.341 69.5469 62.4467 54.0021 -193.899 -115.735 3.97715 -129.464 187.769 PRESSAVG: 3007800 -18.3834 8.10285 -32.0306 8.10288 -53.4745 18.3054 -32.0307 18.3053 79.2617 GPRESSAVG: 3007800 -16.5903 8.22788 -32.7366 8.95738 -55.3009 20.4057 -31.7679 20.1085 79.6574 TIMING: 3007800 CPU: 8729.83, 0.00290877/step Wall: 8729.83, 0.00290877/step, 1.60968 hours remaining, 206.289062 MB of memory in use. ENERGY: 3007800 741.7971 2077.6242 1968.1005 111.4631 -205861.3268 17690.6421 0.0000 0.0000 34372.7706 -148898.9293 300.1860 -183271.6999 -148803.3436 299.2835 12.9417 46.0703 557895.4831 2.4679 2.5887 PRESSURE: 3008000 -66.4405 131.708 104.826 131.707 -128.005 -143.742 104.825 -143.743 45.4426 GPRESSURE: 3008000 -6.27998 17.3485 123.287 145.129 -106.676 -173.679 116.845 -81.9473 64.0792 PRESSAVG: 3008000 -22.9198 58.2893 -7.56316 58.2893 -22.6108 -43.7006 -7.56309 -43.7007 49.3591 GPRESSAVG: 3008000 -24.0298 59.0316 -6.79568 57.1192 -21.6305 -45.689 -8.25564 -40.2923 48.6368 TIMING: 3008000 CPU: 8730.41, 0.00290023/step Wall: 8730.41, 0.00290023/step, 1.60479 hours remaining, 206.289062 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: 3008000 743.7588 2069.9596 1970.1117 111.9739 -205774.7042 17670.8556 0.0000 0.0000 34312.1251 -148895.9194 299.6563 -183208.0446 -148800.9715 299.6225 -49.6676 -16.2921 557683.7643 1.2762 0.9922 PRESSURE: 3008200 -11.8007 -43.9809 74.8527 -43.9788 -107.653 108.417 74.8524 108.419 90.4468 GPRESSURE: 3008200 53.3239 7.0083 154.769 -17.8229 -85.0618 62.5929 -22.1345 97.6482 93.1233 PRESSAVG: 3008200 -34.1488 30.1032 6.91217 30.1031 -40.3971 -18.7605 6.9122 -18.7605 82.8414 GPRESSAVG: 3008200 -33.5386 29.399 7.1442 32.0842 -40.8009 -21.0169 7.81034 -20.2956 82.4528 TIMING: 3008200 CPU: 8731, 0.00292872/step Wall: 8731, 0.00292872/step, 1.6204 hours remaining, 206.289062 MB of memory in use. ENERGY: 3008200 724.5068 2089.9567 1971.8117 118.6110 -205954.3159 17857.7833 0.0000 0.0000 34299.7629 -148891.8835 299.5484 -183191.6464 -148796.6894 299.8691 -9.6690 20.4618 557745.2790 2.7651 2.7045 LDB: ============= START OF LOAD BALANCING ============== 8734.46 LDB: ============== END OF LOAD BALANCING =============== 8734.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8734.46 LDB: ============= START OF LOAD BALANCING ============== 8734.75 LDB: Largest compute 4821 load 0.028559 is 24.2% of average load 0.117780 LDB: Average compute 0.001717 is 1.5% of average load 0.117780 LDB: TIME 8734.76 LOAD: AVG 0.11778 MAX 0.177302 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8734.76 LOAD: AVG 0.11778 MAX 0.177302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: TIME 8734.76 LOAD: AVG 0.11778 MAX 0.177302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.953 MB LDB: ============== END OF LOAD BALANCING =============== 8734.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8734.76 PRESSURE: 3008400 391.784 106.318 98.3718 106.319 -128.233 104.349 98.3722 104.35 171.562 GPRESSURE: 3008400 397.861 189.526 62.3434 31.636 -99.3506 119.716 77.7771 -17.8946 240.618 PRESSAVG: 3008400 29.7359 -31.786 -24.3383 -31.7859 -88.5701 -8.0689 -24.3384 -8.0689 43.438 GPRESSAVG: 3008400 29.8831 -32.8254 -26.2297 -31.4708 -88.7639 -5.29416 -24.2672 -7.91352 43.9508 TIMING: 3008400 CPU: 8731.59, 0.00295032/step Wall: 8731.59, 0.00295032/step, 1.63218 hours remaining, 205.687500 MB of memory in use. ENERGY: 3008400 753.5329 2088.8596 1974.9938 108.9219 -205983.0781 17977.3261 0.0000 0.0000 34247.4913 -148831.9524 299.0919 -183079.4438 -148742.5670 299.7943 145.0377 179.7095 557262.0332 -5.1321 -4.9767 PRESSURE: 3008600 71.3933 -130.381 -86.8133 -130.38 326.646 34.6802 -86.814 34.6787 1.33181 GPRESSURE: 3008600 96.2885 -105.872 -118.054 -92.4395 389.792 -66.8212 -129.011 51.7917 -0.0670372 PRESSAVG: 3008600 10.8177 -12.927 -28.733 -12.9269 -33.2502 -38.663 -28.733 -38.6631 35.7998 GPRESSAVG: 3008600 9.96651 -12.2142 -28.8069 -14.2137 -32.1923 -40.3351 -28.128 -36.7859 36.4604 TIMING: 3008600 CPU: 8732.17, 0.00289268/step Wall: 8732.17, 0.00289268/step, 1.60014 hours remaining, 205.890625 MB of memory in use. ENERGY: 3008600 723.7008 2062.5434 1952.6070 100.0577 -205732.5066 17916.9058 0.0000 0.0000 34140.3314 -148836.3604 298.1560 -182976.6918 -148735.5733 299.5296 133.1238 162.0045 557659.9954 4.4558 4.7449 PRESSURE: 3008800 -134.275 80.7967 -17.0024 80.7967 -218.305 -36.3058 -17.0033 -36.3071 -172.18 GPRESSURE: 3008800 -145.535 80.4473 -33.2667 56.2053 -143.939 19.7892 -12.3566 -103.238 -134.369 PRESSAVG: 3008800 67.1739 -14.2321 8.2147 -14.232 -12.114 -27.3582 8.21477 -27.3581 -8.48957 GPRESSAVG: 3008800 68.9729 -12.992 7.75048 -13.1172 -14.0061 -27.0457 7.31592 -27.8901 -8.64133 TIMING: 3008800 CPU: 8732.74, 0.00289555/step Wall: 8732.74, 0.00289555/step, 1.60156 hours remaining, 205.890625 MB of memory in use. ENERGY: 3008800 733.2310 2114.1277 1949.8297 131.5523 -205460.1746 17383.9366 0.0000 0.0000 34167.8277 -148979.6696 298.3961 -183147.4973 -148880.2148 299.8163 -174.9201 -141.2808 557872.2659 15.5234 15.4418 PRESSURE: 3009000 24.0604 30.743 73.8396 30.7441 -85.0931 112.262 73.8384 112.262 427.045 GPRESSURE: 3009000 153.589 59.9709 64.9308 -26.9317 -74.6714 107.322 46.2567 35.465 382.389 PRESSAVG: 3009000 11.4362 -18.8518 4.49302 -18.8517 5.02878 -47.6302 4.493 -47.6303 -24.0795 GPRESSAVG: 3009000 11.2136 -19.5713 6.52778 -20.4567 5.79011 -48.6097 3.88122 -46.0307 -24.3793 TIMING: 3009000 CPU: 8733.33, 0.00290986/step Wall: 8733.33, 0.00290986/step, 1.60931 hours remaining, 205.890625 MB of memory in use. ENERGY: 3009000 740.5697 2122.3387 1967.5736 116.9816 -205920.7637 17748.1591 0.0000 0.0000 34541.5912 -148683.5498 301.6603 -183225.1411 -148585.9660 300.2355 122.0041 153.7688 557085.6783 -2.5382 -2.4585 PRESSURE: 3009200 222.555 -106.382 73.1139 -106.384 -9.24328 41.3885 73.1135 41.3896 -212.456 GPRESSURE: 3009200 261.268 46.4722 28.7125 -186.093 -38.7454 87.8822 120.569 15.4186 -124.796 PRESSAVG: 3009200 13.2211 -14.8101 -38.9568 -14.8102 -29.4772 0.196365 -38.9568 0.196332 28.4038 GPRESSAVG: 3009200 11.7672 -13.7965 -40.5582 -15.1508 -29.5751 2.14606 -38.4656 -0.284654 30.3551 TIMING: 3009200 CPU: 8733.91, 0.00292009/step Wall: 8733.91, 0.00292008/step, 1.61481 hours remaining, 205.890625 MB of memory in use. ENERGY: 3009200 763.9016 2120.2312 1932.8618 114.5013 -206180.8421 17905.5306 0.0000 0.0000 34625.7411 -148718.0744 302.3952 -183343.8155 -148615.4348 300.9993 0.2850 32.5756 558324.0003 4.0492 4.1824 PRESSURE: 3009400 -191.919 -81.0882 131.631 -81.0889 -262.73 -111.666 131.632 -111.667 3.66726 GPRESSURE: 3009400 -146.631 -102.859 19.7937 -114.766 -195.783 -99.9482 179.214 -57.0358 -0.433027 PRESSAVG: 3009400 78.5433 6.5713 29.6254 6.57121 20.4397 18.4401 29.6254 18.44 -72.002 GPRESSAVG: 3009400 78.5079 2.66165 28.1052 8.57065 20.7784 18.2995 31.1768 17.863 -72.6443 TIMING: 3009400 CPU: 8734.49, 0.00290441/step Wall: 8734.49, 0.00290441/step, 1.60598 hours remaining, 205.890625 MB of memory in use. ENERGY: 3009400 705.9935 2133.7516 1946.0279 119.5497 -205745.5078 17523.4904 0.0000 0.0000 34410.9091 -148905.7858 300.5190 -183316.6949 -148805.5532 300.8744 -150.3274 -114.2825 558859.1686 8.9937 8.8807 PRESSURE: 3009600 -253.899 -85.7946 -101.011 -85.7964 -36.4166 130.226 -101.01 130.227 -359.883 GPRESSURE: 3009600 -242.435 -68.229 -66.0423 -167.061 8.46854 203.177 -89.1471 78.265 -312.512 PRESSAVG: 3009600 -38.1747 -55.782 -9.17937 -55.7821 31.5905 -25.4181 -9.17942 -25.4181 -16.641 GPRESSAVG: 3009600 -37.5586 -53.5886 -8.73572 -57.9704 31.0232 -24.9803 -9.64468 -26.702 -17.0316 TIMING: 3009600 CPU: 8735.07, 0.00291032/step Wall: 8735.07, 0.00291032/step, 1.60908 hours remaining, 205.890625 MB of memory in use. ENERGY: 3009600 736.8525 2115.2656 1981.1651 112.6297 -205713.5158 17518.6117 0.0000 0.0000 34328.0709 -148920.9203 299.7956 -183248.9912 -148831.7276 300.3178 -216.7330 -182.1594 558978.6048 -7.7417 -7.8557 PRESSURE: 3009800 -164.694 39.7479 -22.6567 39.7481 -187.393 47.125 -22.6571 47.1254 63.1375 GPRESSURE: 3009800 -119.287 92.6312 -24.8366 -9.54813 -136.408 68.8232 -69.8691 5.10571 52.4479 PRESSAVG: 3009800 -24.2299 45.2997 20.314 45.2998 23.2415 97.5849 20.314 97.5849 36.6461 GPRESSAVG: 3009800 -24.599 45.3884 21.3017 43.8404 24.1444 96.7713 17.5551 98.9706 36.0621 TIMING: 3009800 CPU: 8735.65, 0.00290372/step Wall: 8735.65, 0.00290372/step, 1.60527 hours remaining, 206.093750 MB of memory in use. ENERGY: 3009800 757.6313 2094.0819 1924.5050 96.8188 -205916.3541 17668.4697 0.0000 0.0000 34501.9840 -148872.8635 301.3144 -183374.8475 -148777.2742 300.8383 -96.3166 -67.7490 557343.1070 11.8859 11.8692 PRESSURE: 3010000 -336.911 -75.7438 183.467 -75.7441 265.654 -53.4313 183.466 -53.4324 60.3277 GPRESSURE: 3010000 -250.744 -14.2254 218.759 -121.343 270.145 -60.8125 141.319 -52.105 56.0867 PRESSAVG: 3010000 -79.8528 16.541 12.8537 16.541 62.8969 11.8311 12.8537 11.8311 34.8965 GPRESSAVG: 3010000 -79.2978 17.3167 12.6982 19.3054 62.6179 12.7984 14.5641 11.5667 34.7299 TIMING: 3010000 CPU: 8736.23, 0.00288264/step Wall: 8736.23, 0.00288264/step, 1.59346 hours remaining, 206.093750 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: 3010000 757.4043 2074.7191 1954.5095 112.5148 -206260.2237 17937.0030 0.0000 0.0000 34451.5134 -148972.5596 300.8736 -183424.0730 -148880.7266 300.5318 -3.6434 25.1624 558352.1793 5.9802 6.0166 PRESSURE: 3010200 -96.2273 195.759 130.714 195.757 -110.8 -47.4055 130.715 -47.4058 -114.109 GPRESSURE: 3010200 -70.3931 162.356 181.634 233.66 -50.89 32.4707 72.9184 -64.0215 -112.218 PRESSAVG: 3010200 -7.23302 10.2203 -12.255 10.2203 -13.2162 -37.6022 -12.255 -37.6022 0.733745 GPRESSAVG: 3010200 -8.03229 10.8607 -10.3932 9.98367 -13.9713 -37.0024 -11.0182 -36.6768 1.76061 TIMING: 3010200 CPU: 8736.81, 0.00288718/step Wall: 8736.81, 0.00288718/step, 1.59581 hours remaining, 206.093750 MB of memory in use. ENERGY: 3010200 768.1768 2165.3864 1956.7539 113.0337 -206417.5824 17978.2911 0.0000 0.0000 34238.5044 -149197.4361 299.0134 -183435.9405 -149099.7932 299.7401 -107.0454 -77.8336 559929.6806 -6.5718 -6.7477 PRESSURE: 3010400 60.3776 -192.299 66.5684 -192.299 -44.9613 -135.195 66.5685 -135.195 -195.394 GPRESSURE: 3010400 139.806 -181.784 -7.31659 -224.012 -62.3456 -119.166 12.3927 -181.878 -158.728 PRESSAVG: 3010400 55.2533 0.614473 -21.1717 0.614438 -39.3872 -11.2563 -21.1718 -11.2562 -15.3136 GPRESSAVG: 3010400 56.6484 0.721952 -21.364 -3.34539 -38.4072 -11.0393 -22.172 -12.2975 -17.1174 TIMING: 3010400 CPU: 8737.4, 0.00293793/step Wall: 8737.4, 0.00293793/step, 1.6237 hours remaining, 206.093750 MB of memory in use. ENERGY: 3010400 770.9079 2042.2320 1931.7890 108.5025 -206507.6020 17884.3162 0.0000 0.0000 34497.4266 -149272.4278 301.2746 -183769.8544 -149178.1104 299.4529 -59.9926 -27.0891 557859.0951 0.1842 0.3746 PRESSURE: 3010600 26.4867 291.629 84.96 291.629 -248.344 72.6897 84.9605 72.6886 -306.514 GPRESSURE: 3010600 3.6355 304.214 157.507 224.923 -162.396 108.442 97.5349 96.0348 -280.428 PRESSAVG: 3010600 10.0657 -10.321 -2.76944 -10.3209 46.6395 9.43035 -2.76941 9.4303 3.85959 GPRESSAVG: 3010600 8.96579 -12.9141 -1.3365 -5.88269 47.1172 9.84978 -3.82224 10.6766 4.25353 TIMING: 3010600 CPU: 8737.98, 0.00293607/step Wall: 8737.98, 0.00293607/step, 1.6225 hours remaining, 206.093750 MB of memory in use. ENERGY: 3010600 713.4058 2140.8766 1962.2026 119.5935 -206028.6809 17740.2652 0.0000 0.0000 34046.8073 -149305.5299 297.3392 -183352.3371 -149202.4654 299.9733 -176.1239 -146.3959 558821.2232 20.1883 20.1122 PRESSURE: 3010800 -242.384 65.0352 -93.6512 65.0356 -67.2835 -48.7816 -93.6517 -48.78 -267.12 GPRESSURE: 3010800 -182.612 125.275 -16.1833 65.7572 -62.4221 -97.9872 -170.861 -69.4424 -232.644 PRESSAVG: 3010800 54.6399 27.5855 39.576 27.5855 -35.1587 15.731 39.576 15.731 -25.0466 GPRESSAVG: 3010800 55.1763 30.0338 37.5495 27.1107 -36.4927 16.4985 41.3908 13.0972 -24.1305 TIMING: 3010800 CPU: 8738.57, 0.00293006/step Wall: 8738.57, 0.00293006/step, 1.61902 hours remaining, 206.093750 MB of memory in use. ENERGY: 3010800 757.4563 2116.4535 1961.9910 119.7957 -206166.4304 17575.3057 0.0000 0.0000 34357.4654 -149277.9627 300.0523 -183635.4282 -149182.8601 299.6062 -192.2624 -159.2262 557820.8446 -1.8552 -1.8156 PRESSURE: 3011000 144.198 -60.1321 -38.7978 -60.1314 96.0338 43.4731 -38.7986 43.4723 -178.35 GPRESSURE: 3011000 184.914 21.4215 -72.5891 -3.91286 134.621 -67.3135 24.0461 12.2521 -168.567 PRESSAVG: 3011000 54.6209 -8.29244 32.1069 -8.29239 14.3214 14.4761 32.107 14.4761 -5.7464 GPRESSAVG: 3011000 54.5579 -9.94539 34.4445 -7.75355 14.3943 11.5863 30.7015 17.8852 -5.72549 TIMING: 3011000 CPU: 8739.15, 0.00292551/step Wall: 8739.15, 0.00292551/step, 1.61635 hours remaining, 206.093750 MB of memory in use. ENERGY: 3011000 704.7600 2129.4899 1959.3290 102.8183 -206369.5926 17899.1735 0.0000 0.0000 34206.1340 -149367.8880 298.7307 -183574.0220 -149276.3316 299.4211 20.6270 50.3225 556597.3161 21.0653 21.0756 PRESSURE: 3011200 -133.928 12.0731 -35.0652 12.0721 -147.61 65.2618 -35.0648 65.2634 279.68 GPRESSURE: 3011200 -99.419 -13.9092 -73.3129 -42.2303 -124.823 168.637 82.728 -5.51252 314.802 PRESSAVG: 3011200 -4.66607 -3.29105 24.5588 -3.29109 -27.6102 -8.00837 24.5588 -8.00829 20.3491 GPRESSAVG: 3011200 -4.96599 -2.61318 21.3239 -3.64879 -27.8539 -5.11566 25.9549 -10.4478 20.4298 TIMING: 3011200 CPU: 8739.73, 0.00289347/step Wall: 8739.73, 0.00289347/step, 1.59848 hours remaining, 206.093750 MB of memory in use. ENERGY: 3011200 740.4775 2138.8269 1932.5561 121.8808 -206279.3421 17843.0667 0.0000 0.0000 34228.8626 -149273.6714 298.9292 -183502.5340 -149179.0511 299.4630 -0.6192 30.1867 556309.0657 -3.9757 -4.1300 PRESSURE: 3011400 -89.1965 14.5355 7.80233 14.5361 -59.8809 34.0412 7.80218 34.0423 214.36 GPRESSURE: 3011400 -14.5659 24.4468 0.458899 10.7927 -3.29822 61.5341 -1.20043 31.8965 193.849 PRESSAVG: 3011400 14.5328 -17.2286 -14.0465 -17.2285 -32.5462 33.6211 -14.0465 33.6211 42.5656 GPRESSAVG: 3011400 14.3525 -18.4437 -12.8279 -17.0762 -32.169 33.5471 -14.3409 33.0734 42.3187 TIMING: 3011400 CPU: 8740.32, 0.00293548/step Wall: 8740.32, 0.00293548/step, 1.62153 hours remaining, 206.093750 MB of memory in use. ENERGY: 3011400 770.7175 2090.4176 1945.1874 118.7605 -206371.6973 18001.0429 0.0000 0.0000 34401.4020 -149044.1693 300.4360 -183445.5713 -148957.4703 299.8926 21.7609 58.6616 556490.3396 8.1841 8.1674 PRESSURE: 3011600 -24.9351 -55.1573 139.368 -55.1568 -20.6694 -139.798 139.368 -139.798 153.358 GPRESSURE: 3011600 9.16798 -67.9074 164.541 -48.0216 1.84348 -92.5613 65.8988 -203.079 186.255 PRESSAVG: 3011600 21.9999 18.4529 34.7485 18.4529 -23.421 -37.9415 34.7485 -37.9414 -7.52581 GPRESSAVG: 3011600 21.9369 21.6953 34.1331 17.7139 -23.6284 -38.3233 34.8561 -35.8532 -7.423 TIMING: 3011600 CPU: 8740.91, 0.00293965/step Wall: 8740.91, 0.00293965/step, 1.62367 hours remaining, 206.093750 MB of memory in use. ENERGY: 3011600 788.5741 2030.7378 1940.5878 109.0468 -205880.2996 17827.5432 0.0000 0.0000 34126.5141 -149057.2959 298.0353 -183183.8100 -148968.1572 299.4308 35.9177 65.7555 556805.5310 -2.9823 -3.0381 PRESSURE: 3011800 42.9926 -56.8207 -88.6975 -56.8205 29.787 -66.14 -88.6984 -66.1418 -217.981 GPRESSURE: 3011800 84.4479 50.4881 -69.187 -93.9288 83.1068 -93.1204 -28.1493 -1.75505 -213.581 PRESSAVG: 3011800 -2.98449 -20.0166 -15.0953 -20.0166 -52.8422 1.38843 -15.0952 1.3885 89.421 GPRESSAVG: 3011800 -1.64755 -19.7809 -15.1655 -19.4628 -52.3993 1.17674 -14.4295 0.545125 87.8298 TIMING: 3011800 CPU: 8741.49, 0.00293299/step Wall: 8741.49, 0.00293299/step, 1.61983 hours remaining, 206.093750 MB of memory in use. ENERGY: 3011800 733.0294 2082.6932 1960.2593 111.9797 -205666.5675 17572.8354 0.0000 0.0000 34197.4614 -149008.3091 298.6549 -183205.7705 -148921.5285 298.6000 -48.4003 -15.3423 557516.7501 11.1981 11.2610 PRESSURE: 3012000 -54.6282 -162.851 77.1025 -162.849 161.742 5.82974 77.103 5.83009 267.395 GPRESSURE: 3012000 13.3682 -57.3363 159.194 -147.021 147.966 -60.0516 8.33786 -37.2095 307.053 PRESSAVG: 3012000 -74.3502 -16.5498 -43.2922 -16.5497 9.71738 30.1869 -43.2922 30.1868 15.9848 GPRESSAVG: 3012000 -74.2467 -18.6902 -40.6275 -17.4536 8.10242 29.5721 -45.6722 30.6791 17.2915 TIMING: 3012000 CPU: 8742.08, 0.00290966/step Wall: 8742.08, 0.00290966/step, 1.60678 hours remaining, 206.093750 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: 3012000 789.2939 2103.5240 1943.6672 109.0773 -206087.9973 17914.7290 0.0000 0.0000 34158.5097 -149069.1962 298.3148 -183227.7059 -148978.9637 299.0731 124.8365 156.1291 555573.8517 -16.2160 -16.2843 PRESSURE: 3012200 90.3009 -16.0571 -161.674 -16.0575 -195.228 118.359 -161.674 118.359 -332.773 GPRESSURE: 3012200 128.416 70.2715 -54.9127 -94.7563 -155.622 133.868 -200.562 126.195 -315.264 PRESSAVG: 3012200 -10.9798 5.99121 -35.4099 5.99116 2.71998 6.81662 -35.4099 6.81672 19.4715 GPRESSAVG: 3012200 -11.1408 5.40689 -36.8966 5.51562 3.44361 8.79153 -34.8606 6.04554 18.3555 TIMING: 3012200 CPU: 8742.67, 0.00294586/step Wall: 8742.67, 0.00294586/step, 1.62661 hours remaining, 206.093750 MB of memory in use. ENERGY: 3012200 777.2688 2040.6451 1919.1555 102.2657 -205894.0170 17616.0608 0.0000 0.0000 34119.6467 -149318.9744 297.9754 -183438.6210 -149216.2150 298.5039 -145.8999 -114.1568 557850.2028 3.7372 3.5528 LDB: ============= START OF LOAD BALANCING ============== 8746.13 LDB: ============== END OF LOAD BALANCING =============== 8746.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8746.14 LDB: ============= START OF LOAD BALANCING ============== 8746.43 LDB: Largest compute 4848 load 0.027609 is 23.4% of average load 0.117747 LDB: Average compute 0.001718 is 1.5% of average load 0.117747 LDB: TIME 8746.43 LOAD: AVG 0.117747 MAX 0.175843 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 8746.43 LOAD: AVG 0.117747 MAX 0.175843 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.176 MB LDB: TIME 8746.43 LOAD: AVG 0.117747 MAX 0.175843 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8746.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8746.44 PRESSURE: 3012400 -96.4656 -15.6473 15.5137 -15.6476 131.56 248.717 15.5123 248.718 79.4048 GPRESSURE: 3012400 -49.0146 -61.5631 137.444 33.9946 125.163 221.598 -45.3917 230.924 138.174 PRESSAVG: 3012400 30.6919 18.9196 -33.7362 18.9196 6.7765 -18.86 -33.7361 -18.86 -21.1711 GPRESSAVG: 3012400 30.174 20.5065 -31.7064 19.0813 7.19943 -21.3046 -35.3156 -18.0437 -21.1794 TIMING: 3012400 CPU: 8743.26, 0.00298342/step Wall: 8743.26, 0.00298342/step, 1.64718 hours remaining, 206.460938 MB of memory in use. ENERGY: 3012400 712.7039 2078.3794 1920.8681 100.9740 -206087.3744 17670.2515 0.0000 0.0000 34228.0068 -149376.1908 298.9217 -183604.1975 -149285.6703 298.6345 38.1664 71.4408 556739.6373 5.4324 5.3980 PRESSURE: 3012600 31.2075 9.59363 -68.3599 9.59407 183.466 -53.0035 -68.3593 -53.0026 -47.3326 GPRESSURE: 3012600 74.8889 -39.9661 -109.866 73.686 203.22 -136.148 -107.272 -50.6351 -10.228 PRESSAVG: 3012600 59.6831 -4.79381 -1.82537 -4.79379 -15.2658 -51.2052 -1.82551 -51.2053 -35.6068 GPRESSAVG: 3012600 59.3878 -5.9585 -6.05031 -3.07878 -15.7425 -50.1111 2.77669 -51.2271 -34.9525 TIMING: 3012600 CPU: 8743.84, 0.00291274/step Wall: 8743.84, 0.00291274/step, 1.60799 hours remaining, 206.460938 MB of memory in use. ENERGY: 3012600 775.1237 2071.3267 1958.4235 110.6485 -206509.3614 18171.0960 0.0000 0.0000 34076.3438 -149346.3993 297.5972 -183422.7430 -149251.5937 298.8188 55.7802 89.2938 557869.9806 2.9368 2.8976 PRESSURE: 3012800 -233.341 29.4783 0.61421 29.4783 -146.998 -171.366 0.613073 -171.367 -99.5748 GPRESSURE: 3012800 -188.11 58.4467 -26.6558 4.9902 -105.255 -166.057 33.7439 -190.137 -101.657 PRESSAVG: 3012800 9.20893 -44.9567 -7.65021 -44.9567 -5.84344 -32.1463 -7.65027 -32.1465 -11.5279 GPRESSAVG: 3012800 9.4803 -44.8462 -6.62062 -45.5688 -5.92122 -33.8733 -10.8657 -32.1724 -11.6686 TIMING: 3012800 CPU: 8744.43, 0.00293277/step Wall: 8744.43, 0.00293277/step, 1.61889 hours remaining, 206.460938 MB of memory in use. ENERGY: 3012800 758.4816 2062.2536 1957.7204 116.0679 -206063.8380 17648.7393 0.0000 0.0000 34201.3817 -149319.1936 298.6892 -183520.5753 -149221.5262 298.1795 -159.9713 -131.6742 558930.4048 -2.7208 -2.7032 PRESSURE: 3013000 12.6879 62.5787 5.62459 62.5782 -54.1306 10.6285 5.62535 10.6286 122.468 GPRESSURE: 3013000 54.8129 25.6911 -27.3292 22.4328 -12.6867 -2.64305 25.6381 -19.652 127.757 PRESSAVG: 3013000 -31.8344 23.3046 -32.496 23.3047 -51.8062 -46.8733 -32.4959 -46.8732 82.2141 GPRESSAVG: 3013000 -31.4724 22.9632 -30.1005 24.3136 -50.8509 -45.7528 -32.6542 -46.2334 81.1519 TIMING: 3013000 CPU: 8745.02, 0.00293752/step Wall: 8745.02, 0.00293752/step, 1.62135 hours remaining, 206.460938 MB of memory in use. ENERGY: 3013000 739.0012 2092.9349 1998.2408 114.2062 -205989.7882 17755.0846 0.0000 0.0000 34064.2271 -149226.0933 297.4914 -183290.3205 -149134.8438 298.8955 27.0083 56.6276 557499.6093 -0.4755 -0.3905 PRESSURE: 3013200 -4.28734 -16.1925 1.27289 -16.193 -132.776 -64.9877 1.27378 -64.9865 122.479 GPRESSURE: 3013200 17.7387 -40.9737 -30.8497 11.6473 -108.17 -55.3283 -41.8739 -27.1593 168.673 PRESSAVG: 3013200 -58.3472 -8.16292 21.5769 -8.16293 3.44585 45.7668 21.5769 45.7668 55.3874 GPRESSAVG: 3013200 -58.8168 -7.70029 18.0237 -8.34554 2.86772 47.3593 23.5162 45.5477 56.6178 TIMING: 3013200 CPU: 8745.6, 0.00292893/step Wall: 8745.6, 0.00292893/step, 1.61644 hours remaining, 206.460938 MB of memory in use. ENERGY: 3013200 770.4924 2094.5503 1962.0627 100.8978 -206034.9595 17787.2396 0.0000 0.0000 33951.0429 -149368.6738 296.5029 -183319.7166 -149280.1844 298.7572 -4.8615 26.0806 557350.2038 0.1620 0.2229 PRESSURE: 3013400 195.952 48.4746 45.4658 48.4754 80.2406 36.0954 45.4662 36.0957 18.9786 GPRESSURE: 3013400 196.723 21.1587 -16.6995 13.9207 169.691 40.5694 73.5482 44.2834 39.1307 PRESSAVG: 3013400 13.8249 -20.2568 35.7127 -20.2567 4.61552 53.5725 35.7127 53.5724 -39.9766 GPRESSAVG: 3013400 13.9746 -18.6807 37.5778 -21.6226 5.7471 51.9189 34.7219 53.4015 -41.23 TIMING: 3013400 CPU: 8746.19, 0.00294385/step Wall: 8746.19, 0.00294385/step, 1.62452 hours remaining, 206.460938 MB of memory in use. ENERGY: 3013400 723.0029 2081.8065 1959.0268 123.2979 -206215.5805 17717.0790 0.0000 0.0000 34324.1786 -149287.1888 299.7616 -183611.3674 -149194.4004 298.6120 98.3903 135.1816 556727.2535 -7.1787 -7.1694 PRESSURE: 3013600 239.321 23.525 -45.614 23.5244 194.917 -54.3584 -45.615 -54.3572 199.466 GPRESSURE: 3013600 238.432 55.6593 -120.104 -75.7957 202.431 -78.9551 -24.0327 -35.8884 294.977 PRESSAVG: 3013600 4.90035 -28.6293 -0.832614 -28.6293 -7.22047 10.6785 -0.832653 10.6785 17.5685 GPRESSAVG: 3013600 4.69667 -28.994 -3.2784 -28.5806 -8.6675 12.8027 -0.654645 10.9601 18.9427 TIMING: 3013600 CPU: 8746.79, 0.0029801/step Wall: 8746.79, 0.0029801/step, 1.64435 hours remaining, 206.460938 MB of memory in use. ENERGY: 3013600 756.1451 2080.8085 1932.0270 107.9281 -206370.6858 18014.3164 0.0000 0.0000 34369.8758 -149109.5850 300.1607 -183479.4608 -149021.8360 299.3148 211.2349 245.2803 556227.9119 5.0828 4.9906 PRESSURE: 3013800 366.409 84.6997 33.2082 84.7003 394.154 140.64 33.2092 140.64 158.466 GPRESSURE: 3013800 374.731 61.6221 -38.8054 95.2312 429.714 26.6579 58.7313 156.094 217.145 PRESSAVG: 3013800 62.5006 -2.1208 -33.4567 -2.12079 -33.2486 -38.1308 -33.4567 -38.1307 -14.0843 GPRESSAVG: 3013800 63.4188 -2.69599 -32.4582 -1.5409 -33.806 -39.9859 -32.8371 -37.18 -14.207 TIMING: 3013800 CPU: 8747.38, 0.00295857/step Wall: 8747.38, 0.00295857/step, 1.63231 hours remaining, 206.460938 MB of memory in use. ENERGY: 3013800 731.4599 2112.3962 1911.6996 105.9486 -206709.7210 18256.8342 0.0000 0.0000 34314.7899 -149276.5926 299.6796 -183591.3825 -149176.1868 298.8308 306.3428 340.5297 557367.6338 5.0559 5.1353 PRESSURE: 3014000 283.856 -4.61314 156.879 -4.61404 -27.8983 42.3603 156.879 42.3592 -58.8339 GPRESSURE: 3014000 260.311 15.0659 212.854 -17.6056 46.6352 86.4425 161.5 26.2946 -30.4077 PRESSAVG: 3014000 3.03323 -22.3306 -35.6169 -22.3305 14.9728 32.0041 -35.6168 32.004 24.0938 GPRESSAVG: 3014000 3.14583 -23.742 -35.5146 -20.9124 15.433 33.2154 -36.5651 30.7358 24.098 TIMING: 3014000 CPU: 8747.97, 0.00294434/step Wall: 8747.97, 0.00294434/step, 1.62429 hours remaining, 206.460938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3014000 752.4113 2114.4162 1929.8026 111.1892 -206520.5127 17924.2454 0.0000 0.0000 34228.5352 -149459.9128 298.9263 -183688.4480 -149366.7638 299.1676 65.7081 92.1794 555982.3926 14.0333 14.2256 PRESSURE: 3014200 -27.6351 133.154 -84.3586 133.153 -196.226 -220.591 -84.3592 -220.591 -193.565 GPRESSURE: 3014200 1.2759 203.086 -84.1887 84.3834 -183.198 -226.014 -69.6217 -137.308 -137.913 PRESSAVG: 3014200 39.0031 -60.0999 -3.33301 -60.0999 -63.1433 -53.6977 -3.33303 -53.6976 31.0004 GPRESSAVG: 3014200 38.5061 -57.4166 -3.17366 -62.1156 -63.6036 -52.5622 -3.33066 -54.3793 32.0261 TIMING: 3014200 CPU: 8748.56, 0.00294389/step Wall: 8748.56, 0.00294389/step, 1.62388 hours remaining, 206.718750 MB of memory in use. ENERGY: 3014200 783.6393 2098.1512 1964.4782 107.3617 -206164.0632 17731.8545 0.0000 0.0000 34126.2226 -149352.3557 298.0328 -183478.5782 -149258.1602 298.9129 -139.1421 -106.6118 558652.3101 2.2868 2.3095 PRESSURE: 3014400 -234.743 -23.3848 78.6192 -23.3848 102.282 26.2396 78.6181 26.2407 -241.111 GPRESSURE: 3014400 -142.334 -51.6569 31.6348 -33.8267 135.299 -21.1745 134.953 23.4173 -262.99 PRESSAVG: 3014400 -2.75366 -47.3701 -29.5432 -47.3701 -8.32717 -73.5377 -29.5431 -73.5376 29.2013 GPRESSAVG: 3014400 -3.38482 -47.7868 -29.818 -47.8815 -8.18356 -75.2975 -30.4025 -72.8851 29.8269 TIMING: 3014400 CPU: 8749.15, 0.00295115/step Wall: 8749.15, 0.00295115/step, 1.62772 hours remaining, 206.718750 MB of memory in use. ENERGY: 3014400 749.5056 2049.8556 1951.1898 115.7550 -206125.9438 17850.0024 0.0000 0.0000 34073.8337 -149335.8019 297.5753 -183409.6355 -149243.8160 298.1740 -124.5240 -90.0084 558691.3984 6.0401 6.0862 PRESSURE: 3014600 244.477 229.78 83.9032 229.782 54.8612 23.142 83.9028 23.1424 -272.843 GPRESSURE: 3014600 237.059 212.301 113.833 212.653 98.371 -17.9816 -8.95721 7.68357 -224.552 PRESSAVG: 3014600 13.9603 67.768 -50.5743 67.7679 -17.1889 8.92806 -50.5742 8.92811 8.70193 GPRESSAVG: 3014600 13.6278 67.2775 -50.7688 67.9168 -17.5476 9.7529 -49.7919 10.2368 8.78391 TIMING: 3014600 CPU: 8749.74, 0.00295365/step Wall: 8749.74, 0.00295365/step, 1.62894 hours remaining, 206.718750 MB of memory in use. ENERGY: 3014600 755.9318 2071.2454 1974.4305 108.0960 -206605.2367 18002.2299 0.0000 0.0000 34385.4472 -149307.8559 300.2967 -183693.3031 -149209.5015 298.1927 8.8319 36.9592 555897.4658 1.8245 1.6214 PRESSURE: 3014800 -154.289 -71.499 -12.4024 -71.4991 -146.708 -24.4262 -12.4028 -24.4267 -235.461 GPRESSURE: 3014800 -148.079 -33.7914 4.15243 -7.04992 -124.504 -37.9414 -136.731 -70.1457 -166.648 PRESSAVG: 3014800 57.9085 39.9243 -63.8744 39.9242 28.4738 -0.42784 -63.8744 -0.427886 -123.801 GPRESSAVG: 3014800 58.9728 39.5035 -63.2794 42.3108 28.0194 -0.217361 -62.992 -2.47757 -124.534 TIMING: 3014800 CPU: 8750.32, 0.00292617/step Wall: 8750.32, 0.00292618/step, 1.61362 hours remaining, 206.718750 MB of memory in use. ENERGY: 3014800 732.2030 2113.6269 1956.1331 116.6044 -205971.7644 17572.9839 0.0000 0.0000 34185.8035 -149294.4096 298.5531 -183480.2131 -149193.8411 299.2980 -178.8193 -146.4104 557098.0582 -12.4730 -12.5139 PRESSURE: 3015000 -82.1166 -56.0052 -270.579 -56.0052 -261.144 11.1481 -270.581 11.1474 -75.294 GPRESSURE: 3015000 -105.324 -56.1298 -302.095 -37.696 -122.566 -10.6794 -165.392 106.306 -88.5604 PRESSAVG: 3015000 51.4519 -10.532 -36.4842 -10.5321 59.9374 0.15807 -36.4842 0.158055 -69.5689 GPRESSAVG: 3015000 49.9957 -10.1049 -38.3951 -12.5369 62.1287 -0.69254 -34.4622 1.30743 -70.6482 TIMING: 3015000 CPU: 8750.91, 0.0029115/step Wall: 8750.91, 0.0029115/step, 1.60537 hours remaining, 206.718750 MB of memory in use. ENERGY: 3015000 742.3623 2087.4076 1951.3174 122.8774 -206118.5749 17499.4072 0.0000 0.0000 34242.6060 -149472.5969 299.0492 -183715.2029 -149372.3316 298.9648 -139.5183 -105.4832 557353.2726 13.9401 13.8254 PRESSURE: 3015200 80.6392 -4.28103 -66.0873 -4.2812 307.76 -95.2988 -66.0879 -95.2984 -0.332699 GPRESSURE: 3015200 110.84 -6.9635 15.4977 48.7171 378.916 -147.009 -13.6904 -23.0111 -9.21549 PRESSAVG: 3015200 3.16051 37.975 7.67815 37.9749 7.74137 -33.6138 7.67819 -33.6137 22.6678 GPRESSAVG: 3015200 3.39921 36.1894 9.77216 37.2059 7.56605 -33.5347 5.54254 -31.6525 22.7157 TIMING: 3015200 CPU: 8751.5, 0.00295164/step Wall: 8751.5, 0.00295164/step, 1.62734 hours remaining, 206.718750 MB of memory in use. ENERGY: 3015200 757.7089 2127.0631 1966.3335 116.9128 -206850.4773 18213.9450 0.0000 0.0000 34333.5146 -149334.9993 299.8431 -183668.5139 -149238.0891 298.8693 129.3554 160.1801 555848.0417 11.1899 11.2270 PRESSURE: 3015400 -217.349 -21.4576 -100.15 -21.4563 -192.861 -157.235 -100.152 -157.235 -159.798 GPRESSURE: 3015400 -128.651 17.1455 -44.9386 -38.3787 -178.657 -191.041 -118.29 -156.492 -166.508 PRESSAVG: 3015400 -27.5219 33.6401 23.6224 33.6401 24.4504 -37.1787 23.6223 -37.1789 -13.6198 GPRESSAVG: 3015400 -27.1583 34.2202 24.0923 35.5727 23.3829 -37.1483 23.8485 -38.8319 -12.8825 TIMING: 3015400 CPU: 8752.09, 0.0029641/step Wall: 8752.09, 0.0029641/step, 1.63404 hours remaining, 206.718750 MB of memory in use. ENERGY: 3015400 770.8044 2127.2185 1957.1200 125.5676 -206266.5279 17698.7915 0.0000 0.0000 34192.2875 -149394.7383 298.6098 -183587.0259 -149296.6778 298.8856 -190.0028 -157.9387 557649.8335 -5.5638 -5.5526 PRESSURE: 3015600 -135.193 50.9633 -60.4959 50.9643 -19.5309 -170.198 -60.4944 -170.198 11.7982 GPRESSURE: 3015600 -152.562 -30.6651 -63.1739 59.6702 32.144 -84.9282 -152.526 -111.525 83.3978 PRESSAVG: 3015600 -77.896 19.7902 5.95002 19.7902 17.3496 -47.9841 5.95001 -47.984 12.3764 GPRESSAVG: 3015600 -78.1843 21.8864 3.16671 18.5338 17.3715 -45.9665 5.7717 -49.5038 13.0123 TIMING: 3015600 CPU: 8752.67, 0.00289446/step Wall: 8752.67, 0.00289446/step, 1.59549 hours remaining, 206.718750 MB of memory in use. ENERGY: 3015600 774.0465 2061.4742 1956.3413 113.0828 -205965.5923 17588.7282 0.0000 0.0000 34112.5912 -149359.3280 297.9137 -183471.9192 -149256.2006 298.7968 -47.6418 -12.3402 556335.0036 -16.0567 -15.9335 PRESSURE: 3015800 -116.131 43.7615 247.02 43.7599 -277.715 -138.191 247.02 -138.19 36.1265 GPRESSURE: 3015800 -54.7034 98.0291 251.196 69.6792 -192.978 -168.755 230.965 -73.0642 -4.17842 PRESSAVG: 3015800 -61.3807 4.42935 13.5454 4.42937 -20.0115 -60.7578 13.5454 -60.7577 71.1984 GPRESSAVG: 3015800 -61.3902 3.46825 14.9148 2.64551 -19.1689 -61.6455 12.2064 -59.2722 70.6879 TIMING: 3015800 CPU: 8753.25, 0.00290533/step Wall: 8753.25, 0.00290533/step, 1.60132 hours remaining, 206.718750 MB of memory in use. ENERGY: 3015800 709.9613 2138.9436 1967.8128 116.9023 -206520.5363 17869.1352 0.0000 0.0000 34453.5529 -149264.2281 300.8914 -183717.7810 -149166.9816 298.9794 -119.2397 -83.9531 557405.4584 -3.3979 -3.2904 PRESSURE: 3016000 -247.86 14.7629 -60.2107 14.7628 -166.581 11.48 -60.2113 11.4783 -111.721 GPRESSURE: 3016000 -262.664 -19.1735 -113.116 -38.6089 -116.897 30.952 -83.7667 -2.98746 -58.9662 PRESSAVG: 3016000 -48.19 -7.93851 -33.5588 -7.93842 -63.5845 -39.685 -33.5586 -39.6851 60.2839 GPRESSAVG: 3016000 -47.4163 -6.36287 -31.7996 -5.13684 -64.5982 -39.672 -33.407 -40.2277 60.5586 TIMING: 3016000 CPU: 8753.83, 0.0029102/step Wall: 8753.83, 0.0029102/step, 1.60384 hours remaining, 206.718750 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: 3016000 699.1353 2067.6164 1959.1192 104.0438 -206219.3111 17436.7971 0.0000 0.0000 34463.7091 -149488.8902 300.9801 -183952.5993 -149391.4738 299.3392 -175.3874 -146.1758 558059.3716 -17.1635 -17.1519 PRESSURE: 3016200 114.749 -110.74 -108.105 -110.741 202.842 177.837 -108.105 177.838 59.7488 GPRESSURE: 3016200 136.862 -115.693 -246.788 -121.838 262.115 267.997 -11.6492 92.6394 68.0759 PRESSAVG: 3016200 -48.3733 10.0545 -56.5552 10.0545 7.49201 27.866 -56.5552 27.866 32.1306 GPRESSAVG: 3016200 -48.9785 8.8581 -57.5307 9.09559 7.52831 26.8311 -55.9005 28.7376 32.5763 TIMING: 3016200 CPU: 8754.41, 0.00291021/step Wall: 8754.41, 0.00291021/step, 1.60369 hours remaining, 206.718750 MB of memory in use. ENERGY: 3016200 770.1095 2163.6923 1946.4922 103.4792 -206631.6137 18030.1131 0.0000 0.0000 34043.5812 -149574.1463 297.3111 -183617.7276 -149486.1581 298.8714 125.7801 155.6843 555185.5386 -2.9169 -2.9580 LDB: ============= START OF LOAD BALANCING ============== 8757.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8757.88 LDB: =============== DONE WITH MIGRATION ================ 8757.88 LDB: ============= START OF LOAD BALANCING ============== 8758.17 LDB: Largest compute 4848 load 0.029129 is 24.7% of average load 0.117730 LDB: Average compute 0.001711 is 1.5% of average load 0.117730 LDB: TIME 8758.18 LOAD: AVG 0.11773 MAX 0.181018 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.367 MB LDB: TIME 8758.18 LOAD: AVG 0.11773 MAX 0.181018 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: TIME 8758.18 LOAD: AVG 0.11773 MAX 0.181018 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8758.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8758.18 PRESSURE: 3016400 -17.468 -110.739 26.1209 -110.739 70.9477 60.3238 26.1198 60.3221 24.35 GPRESSURE: 3016400 41.2648 -103.923 94.5021 -105.942 147.89 62.1582 -74.1845 81.9437 -6.31044 PRESSAVG: 3016400 -21.2408 15.7227 -0.0435705 15.7226 36.0487 -28.5347 -0.0435952 -28.5347 -35.6368 GPRESSAVG: 3016400 -20.896 14.3917 0.276447 16.9376 36.6515 -26.6046 0.431546 -28.8612 -36.8262 TIMING: 3016400 CPU: 8755.01, 0.00297555/step Wall: 8755.01, 0.00297555/step, 1.63953 hours remaining, 205.121094 MB of memory in use. ENERGY: 3016400 763.9121 2099.2435 1951.2340 123.4499 -206351.0285 17803.2992 0.0000 0.0000 34148.1675 -149461.7222 298.2244 -183609.8897 -149371.5020 298.6613 25.9433 60.9481 555676.0040 -6.9430 -7.0236 PRESSURE: 3016600 -92.8435 -72.7973 24.0314 -72.7971 -64.1058 28.0899 24.0318 28.089 -143.694 GPRESSURE: 3016600 -105.07 9.53095 51.5918 -65.8439 -39.1721 44.447 -56.889 102.36 -54.8622 PRESSAVG: 3016600 -51.2343 41.744 12.9526 41.744 70.5351 -51.2589 12.9526 -51.2589 -10.1687 GPRESSAVG: 3016600 -51.2692 43.1198 13.3383 39.5232 70.1025 -51.9959 11.6427 -49.679 -9.74669 TIMING: 3016600 CPU: 8755.59, 0.00290688/step Wall: 8755.59, 0.00290688/step, 1.60153 hours remaining, 205.121094 MB of memory in use. ENERGY: 3016600 732.5020 2091.7016 1965.1310 102.5492 -206314.2601 17702.4740 0.0000 0.0000 34315.0962 -149404.8062 299.6823 -183719.9023 -149305.5151 299.1881 -100.2144 -66.3681 555240.8835 3.0440 3.0289 PRESSURE: 3016800 -4.67643 74.7992 -78.9138 74.7994 88.1846 -141.722 -78.9138 -141.722 6.43764 GPRESSURE: 3016800 44.1893 108.649 -138.41 -20.1401 123.445 -99.0309 -46.3635 -77.1477 24.8797 PRESSAVG: 3016800 -2.22527 10.3224 18.3541 10.3225 17.5378 9.72266 18.3541 9.72257 -13.8291 GPRESSAVG: 3016800 -1.42871 8.75785 17.017 10.9567 17.397 9.96285 19.9883 8.66273 -14.8806 TIMING: 3016800 CPU: 8756.17, 0.00289845/step Wall: 8756.17, 0.00289845/step, 1.59672 hours remaining, 205.121094 MB of memory in use. ENERGY: 3016800 743.1512 2105.1234 1973.6416 128.9341 -206430.8216 17778.1975 0.0000 0.0000 34255.2697 -149446.5042 299.1598 -183701.7739 -149349.1208 298.7404 29.9819 64.1712 555472.1407 0.4945 0.3626 PRESSURE: 3017000 190.243 -195.008 87.7781 -195.009 -45.4651 -97.6373 87.7772 -97.6374 64.8267 GPRESSURE: 3017000 150.29 -168.719 74.7562 -117.461 12.8183 -102.951 64.068 -80.8632 147.199 PRESSAVG: 3017000 -33.2185 -11.8797 24.5551 -11.8797 60.8085 -57.6114 24.5551 -57.6114 -0.265256 GPRESSAVG: 3017000 -34.8634 -11.0625 24.4663 -10.6626 60.6405 -56.6525 24.9623 -58.8845 0.901394 TIMING: 3017000 CPU: 8756.75, 0.00288051/step Wall: 8756.75, 0.00288051/step, 1.58668 hours remaining, 205.121094 MB of memory in use. ENERGY: 3017000 780.0314 2115.9282 1985.8428 105.8984 -206853.0255 18050.0527 0.0000 0.0000 34357.0239 -149458.2480 300.0484 -183815.2719 -149363.6890 299.0658 69.8683 103.4357 556285.1827 9.1083 8.8928 PRESSURE: 3017200 138.905 77.7217 69.7963 77.7234 298.167 -66.6564 69.7939 -66.6544 -13.6066 GPRESSURE: 3017200 202.833 73.2969 -32.1884 93.897 331.751 -31.2299 106.133 -72.9687 -22.1337 PRESSAVG: 3017200 46.2959 58.8631 -36.9104 58.8631 0.455317 -60.8338 -36.9104 -60.8339 0.1675 GPRESSAVG: 3017200 47.7901 58.5889 -36.643 58.8054 0.99357 -61.1159 -38.7925 -60.2737 -1.62676 TIMING: 3017200 CPU: 8757.33, 0.00289512/step Wall: 8757.33, 0.00289512/step, 1.59457 hours remaining, 205.121094 MB of memory in use. ENERGY: 3017200 747.2983 2160.7107 1980.6676 117.9211 -206506.2240 18055.2579 0.0000 0.0000 34090.0591 -149354.3093 297.7170 -183444.3684 -149268.7949 298.9557 141.1553 170.8168 556376.6230 15.6396 15.7190 PRESSURE: 3017400 113.107 -20.9956 -33.0909 -20.9944 -194.853 -63.8261 -33.0924 -63.825 -89.5883 GPRESSURE: 3017400 159.288 -60.1058 30.3947 -22.1816 -130.632 -80.7006 -55.8049 -44.0589 -95.4327 PRESSAVG: 3017400 -5.71252 -19.0927 -26.3357 -19.0927 -3.41445 -42.3117 -26.3356 -42.3116 -0.59735 GPRESSAVG: 3017400 -7.18785 -17.7715 -25.7452 -20.0429 -2.54192 -42.5192 -25.6233 -42.757 0.229104 TIMING: 3017400 CPU: 8757.9, 0.0028932/step Wall: 8757.9, 0.0028932/step, 1.59335 hours remaining, 205.121094 MB of memory in use. ENERGY: 3017400 780.9030 2110.5711 1942.0269 113.3104 -206446.1449 17889.7204 0.0000 0.0000 34268.9351 -149340.6780 299.2791 -183609.6132 -149251.3163 298.9599 -57.1115 -22.2591 558535.7021 -3.2414 -3.1669 PRESSURE: 3017600 -177.844 44.16 45.3755 44.1595 -25.8247 -34.9073 45.3752 -34.9091 -307.177 GPRESSURE: 3017600 -119.963 122.74 23.7911 -14.671 -20.3675 -10.4577 -16.428 -10.7644 -270.178 PRESSAVG: 3017600 -17.4238 -27.2317 16.9665 -27.2318 68.7162 -56.4569 16.9664 -56.4569 -38.0046 GPRESSAVG: 3017600 -17.4569 -26.9139 17.437 -25.9594 67.9069 -56.6403 16.2468 -54.3986 -36.9348 TIMING: 3017600 CPU: 8758.48, 0.00290128/step Wall: 8758.48, 0.00290128/step, 1.59764 hours remaining, 205.121094 MB of memory in use. ENERGY: 3017600 734.0908 2066.7937 1965.8055 124.1506 -206058.4050 17540.4465 0.0000 0.0000 34389.1330 -149237.9850 300.3289 -183627.1180 -149140.3888 299.4770 -170.2820 -136.8359 557443.4726 4.4293 4.5051 PRESSURE: 3017800 171.002 106.153 79.383 106.154 12.3594 56.2335 79.3846 56.2354 -80.0116 GPRESSURE: 3017800 217.181 230.508 127.951 34.7006 4.282 -7.18102 47.8394 63.2033 -27.6321 PRESSAVG: 3017800 -59.3998 20.3739 21.8657 20.3739 52.8277 -36.285 21.8658 -36.2849 -10.2097 GPRESSAVG: 3017800 -58.5827 19.0318 21.1785 21.4372 52.7314 -37.648 22.1046 -36.1029 -10.4838 TIMING: 3017800 CPU: 8759.06, 0.00289095/step Wall: 8759.06, 0.00289095/step, 1.59179 hours remaining, 205.121094 MB of memory in use. ENERGY: 3017800 737.8052 2120.2959 1979.2455 119.0265 -206111.2544 17672.4265 0.0000 0.0000 34365.7299 -149116.7250 300.1245 -183482.4549 -149028.9140 299.6352 34.4499 64.6103 556949.7968 -5.5939 -5.4450 PRESSURE: 3018000 -255.276 -83.7232 63.5525 -83.7213 -210.358 28.306 63.552 28.3074 346.367 GPRESSURE: 3018000 -169.105 -116.221 38.4887 -90.7749 -167.802 -2.22148 -2.10648 -19.1551 308.947 PRESSAVG: 3018000 -29.091 -16.5009 0.650325 -16.5009 -5.31817 12.3737 0.650352 12.3736 35.0563 GPRESSAVG: 3018000 -27.9 -17.0653 -1.4748 -15.4697 -5.30988 15.4628 2.75903 10.435 34.9295 TIMING: 3018000 CPU: 8759.64, 0.00289758/step Wall: 8759.64, 0.00289758/step, 1.59528 hours remaining, 205.121094 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: 3018000 730.9644 2107.6301 1993.8746 126.3599 -206279.0507 17708.0558 0.0000 0.0000 34391.0518 -149221.1142 300.3456 -183612.1660 -149126.5714 299.5273 -39.7554 -9.3200 558076.3550 0.2157 0.5732 PRESSURE: 3018200 -109.319 4.18236 -127.57 4.18146 -4.65798 -10.5303 -127.57 -10.5322 -208.916 GPRESSURE: 3018200 -92.6536 3.47778 -99.3091 -7.40491 3.30858 -2.89858 -110.222 -65.4288 -134.907 PRESSAVG: 3018200 -58.2083 -33.25 -39.6696 -33.2499 41.4406 -30.3146 -39.6696 -30.3146 14.6266 GPRESSAVG: 3018200 -59.6375 -33.7313 -37.3631 -34.3366 43.0519 -33.7604 -43.1282 -28.928 14.3752 TIMING: 3018200 CPU: 8760.22, 0.00290388/step Wall: 8760.22, 0.00290388/step, 1.59859 hours remaining, 205.324219 MB of memory in use. ENERGY: 3018200 745.3494 2089.2021 1961.4230 116.0375 -205994.4512 17713.2690 0.0000 0.0000 34191.2434 -149177.9270 298.6006 -183369.1703 -149082.7741 299.3980 -107.6311 -74.7506 559810.0808 -0.7137 -0.7368 PRESSURE: 3018400 -339.179 -4.21933 -61.2039 -4.21882 137.496 -44.7799 -61.204 -44.7804 59.5047 GPRESSURE: 3018400 -223.504 -35.3362 24.3467 39.3037 101.976 -100.42 -67.9743 -8.41656 76.1479 PRESSAVG: 3018400 -44.1533 -34.706 -41.9483 -34.7059 66.2333 -60.4609 -41.9483 -60.4609 -46.0427 GPRESSAVG: 3018400 -43.2919 -32.891 -43.0639 -36.3402 65.0867 -58.9074 -41.7344 -62.6114 -45.734 TIMING: 3018400 CPU: 8760.81, 0.00292024/step Wall: 8760.81, 0.00292024/step, 1.60743 hours remaining, 205.324219 MB of memory in use. ENERGY: 3018400 741.2485 2172.1059 1962.2298 108.5843 -206021.0881 17707.6208 0.0000 0.0000 34267.1847 -149062.1140 299.2638 -183329.2987 -148970.2114 299.2744 -47.3929 -15.1268 559571.0762 -7.9876 -7.9797 PRESSURE: 3018600 -35.7701 -13.0554 -67.5032 -13.0563 -31.8749 232.027 -67.5033 232.028 77.442 GPRESSURE: 3018600 20.7305 -32.3576 -12.5046 27.2884 17.8665 202.953 -87.5936 241.394 54.0507 PRESSAVG: 3018600 4.41986 -7.46637 -12.3321 -7.46636 25.377 -33.4532 -12.3321 -33.4531 -25.0198 GPRESSAVG: 3018600 4.65783 -8.84531 -10.8218 -8.32168 24.4762 -33.6659 -12.6453 -32.6744 -24.6892 TIMING: 3018600 CPU: 8761.39, 0.00290977/step Wall: 8761.39, 0.00290977/step, 1.6015 hours remaining, 205.324219 MB of memory in use. ENERGY: 3018600 713.3333 2167.2952 1952.9195 117.9361 -206104.5706 17830.8028 0.0000 0.0000 34357.1758 -148965.1079 300.0498 -183322.2838 -148869.3806 299.4822 3.2657 30.8825 559380.9089 1.5924 1.4816 PRESSURE: 3018800 -223.897 68.3629 -215.706 68.364 -202.077 55.8948 -215.706 55.8947 -175.697 GPRESSURE: 3018800 -176.161 12.7743 -147.291 115.787 -154.094 140.626 -225.215 26.6024 -178.286 PRESSAVG: 3018800 -13.8537 16.088 -37.5123 16.088 56.3912 17.1145 -37.5124 17.1146 -29.5837 GPRESSAVG: 3018800 -14.3093 17.0017 -41.0831 17.3458 56.8688 16.4959 -33.7267 18.7306 -29.677 TIMING: 3018800 CPU: 8761.97, 0.00292527/step Wall: 8761.97, 0.00292527/step, 1.60988 hours remaining, 205.324219 MB of memory in use. ENERGY: 3018800 739.5007 2173.0936 1975.9707 107.1623 -205538.5254 17375.7972 0.0000 0.0000 34110.1537 -149056.8472 297.8925 -183167.0009 -148969.8822 300.2349 -200.5569 -169.5141 560230.6021 4.3179 4.2942 PRESSURE: 3019000 83.3899 -54.0951 -68.7639 -54.0946 63.851 57.1556 -68.7634 57.1565 419.441 GPRESSURE: 3019000 144.142 -7.44097 -68.0377 -78.1937 84.8584 46.5366 -75.5547 13.5288 428.814 PRESSAVG: 3019000 -29.011 30.3216 -40.9121 30.3215 31.6363 -8.66311 -40.9121 -8.66304 36.3418 GPRESSAVG: 3019000 -26.9353 31.0688 -40.0558 30.0606 29.7165 -7.08145 -43.0076 -9.80367 36.5151 TIMING: 3019000 CPU: 8762.56, 0.00294282/step Wall: 8762.56, 0.00294282/step, 1.61937 hours remaining, 205.324219 MB of memory in use. ENERGY: 3019000 707.4668 2145.4025 1953.4466 116.0236 -206328.0094 18050.6223 0.0000 0.0000 34404.6104 -148950.4373 300.4640 -183355.0477 -148851.0426 299.7451 188.8939 219.2714 558105.4928 12.9890 13.0988 PRESSURE: 3019200 236.576 -134.814 2.4605 -134.813 -149.472 -157.308 2.46169 -157.31 50.0199 GPRESSURE: 3019200 258.178 -216.302 83.5847 -103.796 -99.6419 -207.871 -96.9396 -198.814 72.5378 PRESSAVG: 3019200 -44.871 3.85588 -28.1842 3.85595 19.8461 -45.2773 -28.1842 -45.2775 49.8606 GPRESSAVG: 3019200 -47.6345 3.98347 -26.4511 4.65221 22.331 -47.8186 -28.7681 -44.9385 50.0977 TIMING: 3019200 CPU: 8763.14, 0.00290617/step Wall: 8763.14, 0.00290617/step, 1.59904 hours remaining, 205.324219 MB of memory in use. ENERGY: 3019200 745.8474 2137.5570 1951.0080 125.3801 -205829.1415 17753.9301 0.0000 0.0000 34269.4124 -148846.0066 299.2833 -183115.4190 -148748.4095 300.2132 45.7079 77.0246 557309.0988 8.2786 8.2647 PRESSURE: 3019400 -292.568 15.1842 -107.79 15.1835 -134.436 66.1474 -107.79 66.1455 -67.8248 GPRESSURE: 3019400 -188.868 -14.6899 -78.6916 63.179 -220.019 60.1616 -83.3503 98.015 14.8379 PRESSAVG: 3019400 -53.8402 -43.143 -14.4502 -43.1429 -6.31233 -4.43756 -14.4502 -4.43734 54.3446 GPRESSAVG: 3019400 -52.6102 -43.5494 -15.3004 -44.1015 -6.63921 -1.774 -12.8781 -3.94501 53.3718 TIMING: 3019400 CPU: 8763.72, 0.00290151/step Wall: 8763.72, 0.00290151/step, 1.59631 hours remaining, 205.324219 MB of memory in use. ENERGY: 3019400 758.5360 2155.5995 1964.9479 111.9098 -205391.5002 17422.8363 0.0000 0.0000 34211.6490 -148766.0218 298.7788 -182977.6708 -148668.0345 300.1998 -164.9428 -131.3496 557876.8627 -1.9360 -1.9592 PRESSURE: 3019600 -168.464 110.79 -186.045 110.79 34.4642 -56.045 -186.045 -56.0455 96.9101 GPRESSURE: 3019600 -144.326 105.09 -204.494 81.6872 25.226 -56.5616 -93.854 -65.633 176.328 PRESSAVG: 3019600 -31.192 -16.087 -78.0137 -16.0869 15.6101 4.73053 -78.0137 4.73055 60.0308 GPRESSAVG: 3019600 -31.5422 -18.6876 -79.0365 -13.6092 14.191 5.22231 -77.9325 5.03109 61.521 TIMING: 3019600 CPU: 8764.31, 0.00290583/step Wall: 8764.31, 0.00290583/step, 1.59853 hours remaining, 205.324219 MB of memory in use. ENERGY: 3019600 738.7735 2113.2667 1952.5385 120.1708 -205975.5361 17747.5575 0.0000 0.0000 34298.0457 -149005.1834 299.5334 -183303.2291 -148909.4632 300.2376 -12.3633 19.0760 558193.2127 14.8163 14.7233 PRESSURE: 3019800 -131.692 -117.148 -110.974 -117.147 -77.2627 22.376 -110.974 22.376 65.0882 GPRESSURE: 3019800 -44.3878 -135.517 -153.093 -59.8888 -64.2072 29.285 -91.8912 49.311 54.0728 PRESSAVG: 3019800 -48.6589 -22.9436 -48.1369 -22.9435 -27.2464 -11.8283 -48.1369 -11.8282 30.0373 GPRESSAVG: 3019800 -50.0861 -19.9167 -47.5434 -21.9143 -25.0794 -12.9131 -49.0441 -11.6389 28.9045 TIMING: 3019800 CPU: 8764.88, 0.00289439/step Wall: 8764.88, 0.00289439/step, 1.59208 hours remaining, 205.324219 MB of memory in use. ENERGY: 3019800 804.2421 2115.8577 1948.5491 113.6024 -206313.6289 18000.8336 0.0000 0.0000 34373.8700 -148956.6739 300.1956 -183330.5439 -148856.3249 300.0556 -47.9555 -18.1741 559504.0604 -15.2893 -15.4203 PRESSURE: 3020000 -162.607 6.74841 -25.8681 6.74672 -39.9666 -73.8873 -25.8675 -73.8878 -115.092 GPRESSURE: 3020000 -142.702 27.2542 -2.48663 49.954 -0.550903 -55.8599 4.82019 -29.2662 -80.7897 PRESSAVG: 3020000 4.32707 43.2233 -2.94019 43.2231 -39.3746 0.891167 -2.94021 0.891204 43.5118 GPRESSAVG: 3020000 5.40342 43.6634 -2.87113 40.4759 -41.1173 0.289165 -5.03011 -1.08512 44.0889 TIMING: 3020000 CPU: 8765.46, 0.00290193/step Wall: 8765.46, 0.00290193/step, 1.59606 hours remaining, 205.324219 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: 3020000 775.4381 2156.0680 1995.2814 109.9261 -206197.6110 17780.6080 0.0000 0.0000 34456.0616 -148924.2279 300.9134 -183380.2895 -148827.2823 300.2015 -105.8886 -74.6810 557848.1412 2.8214 2.7917 PRESSURE: 3020200 10.2335 -77.4413 -27.4707 -77.4402 336.472 -115.942 -27.4703 -115.941 -158.114 GPRESSURE: 3020200 -24.1389 -56.1766 -27.9473 -17.1091 351.77 -115.054 -39.1328 -161.224 -29.6834 PRESSAVG: 3020200 -13.8949 14.8074 -37.3643 14.8074 17.1909 15.5843 -37.3643 15.5844 -25.5283 GPRESSAVG: 3020200 -12.9518 15.0584 -36.7514 13.909 17.2447 16.0732 -36.6705 16.2648 -26.2275 TIMING: 3020200 CPU: 8766.05, 0.0029158/step Wall: 8766.05, 0.0029158/step, 1.60353 hours remaining, 205.324219 MB of memory in use. ENERGY: 3020200 769.7170 2106.5500 1954.8321 108.6234 -206244.4460 17949.2170 0.0000 0.0000 34354.9614 -149000.5450 300.0304 -183355.5065 -148900.8375 300.2127 62.8640 99.3158 557918.3609 -7.4108 -7.3115 LDB: ============= START OF LOAD BALANCING ============== 8769.51 LDB: ============== END OF LOAD BALANCING =============== 8769.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8769.52 LDB: ============= START OF LOAD BALANCING ============== 8769.81 LDB: Largest compute 4848 load 0.028408 is 24.1% of average load 0.117732 LDB: Average compute 0.001703 is 1.4% of average load 0.117732 LDB: TIME 8769.81 LOAD: AVG 0.117732 MAX 0.177638 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 8769.81 LOAD: AVG 0.117732 MAX 0.177638 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 8769.81 LOAD: AVG 0.117732 MAX 0.177638 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8769.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8769.82 PRESSURE: 3020400 55.1525 94.2167 38.6691 94.217 84.1728 -78.9449 38.6686 -78.943 58.4351 GPRESSURE: 3020400 137.207 99.0751 -9.28035 30.035 94.1077 -142.546 64.2833 -74.651 56.5313 PRESSAVG: 3020400 -68.7531 -4.1015 10.1819 -4.10159 81.5818 -43.5341 10.1817 -43.5341 50.5564 GPRESSAVG: 3020400 -70.1902 -3.8921 10.9434 -2.96819 82.5676 -43.4525 8.64464 -41.7549 51.2945 TIMING: 3020400 CPU: 8766.64, 0.00296926/step Wall: 8766.64, 0.00296926/step, 1.63277 hours remaining, 206.144531 MB of memory in use. ENERGY: 3020400 790.7634 2094.4115 1957.5984 118.1147 -206189.1153 18027.0520 0.0000 0.0000 34231.8551 -148969.3202 298.9553 -183201.1753 -148873.8390 300.1760 65.9201 95.9487 559684.3854 21.1284 21.2240 PRESSURE: 3020600 -371.66 -244.677 100.055 -244.676 -310.151 45.6554 100.056 45.6546 -315.192 GPRESSURE: 3020600 -365.385 -171.775 119.986 -203.586 -279.047 62.0712 121.475 133.53 -258.261 PRESSAVG: 3020600 -4.52052 -46.5416 24.4072 -46.5415 -13.7668 -62.5227 24.4073 -62.5227 -16.4194 GPRESSAVG: 3020600 -3.41529 -47.6458 24.4234 -46.1163 -14.1841 -63.6082 25.3995 -62.7857 -17.3683 TIMING: 3020600 CPU: 8767.22, 0.00289799/step Wall: 8767.22, 0.00289799/step, 1.59341 hours remaining, 206.144531 MB of memory in use. ENERGY: 3020600 762.6005 2147.4480 1952.6902 118.3812 -205768.2032 17488.7148 0.0000 0.0000 34280.2077 -149018.1608 299.3776 -183298.3685 -148917.4503 299.6977 -332.3343 -300.8976 558495.5032 -11.5689 -11.6559 PRESSURE: 3020800 -285.829 34.0853 -65.6266 34.0847 -359.714 165.362 -65.6269 165.364 -298.05 GPRESSURE: 3020800 -213.758 -55.7095 -76.5746 71.7999 -368.952 197.745 -104.681 169.267 -270.827 PRESSAVG: 3020800 -14.9082 -2.64511 9.37805 -2.6451 2.67394 38.7896 9.37824 38.7896 11.5072 GPRESSAVG: 3020800 -15.5388 -1.50769 10.0517 -3.17723 2.00269 41.4909 10.6819 37.5399 12.7584 TIMING: 3020800 CPU: 8767.8, 0.0028952/step Wall: 8767.8, 0.0028952/step, 1.59172 hours remaining, 206.402344 MB of memory in use. ENERGY: 3020800 808.6243 2107.6608 1963.3975 100.6003 -205820.3188 17464.4916 0.0000 0.0000 34296.6066 -149078.9377 299.5208 -183375.5443 -148986.9439 298.9803 -314.5312 -284.5124 559895.8179 -0.2424 -0.2593 PRESSURE: 3021000 -200.371 -52.2769 121.386 -52.2773 -128.208 26.5185 121.387 26.5187 -98.8016 GPRESSURE: 3021000 -188.124 -1.74008 74.2024 -88.7089 -60.7414 70.1196 116.148 29.2649 -91.9825 PRESSAVG: 3021000 -52.9094 -25.278 36.5215 -25.278 6.02122 18.7718 36.5215 18.7717 23.6201 GPRESSAVG: 3021000 -54.0985 -23.3915 33.7434 -26.2442 7.19203 18.5161 37.091 19.0159 23.5177 TIMING: 3021000 CPU: 8768.38, 0.00289262/step Wall: 8768.38, 0.00289262/step, 1.59014 hours remaining, 206.410156 MB of memory in use. ENERGY: 3021000 715.3844 2143.3963 1952.0326 118.1836 -205952.9372 17647.9528 0.0000 0.0000 34072.3170 -149303.6705 297.5620 -183375.9875 -149209.5061 299.0894 -142.4604 -113.6160 559331.8544 -7.7560 -7.7962 PRESSURE: 3021200 -394.683 22.2254 232.193 22.2259 58.8285 212.43 232.193 212.431 14.9558 GPRESSURE: 3021200 -418.968 -97.1199 187.03 55.3334 109.522 183.595 193.141 191.259 91.4546 PRESSAVG: 3021200 -109.5 6.22644 29.7043 6.22649 27.7826 10.8673 29.7043 10.8672 81.8989 GPRESSAVG: 3021200 -108.838 5.06683 31.0954 6.13537 27.3887 8.49337 28.5478 12.4916 82.0517 TIMING: 3021200 CPU: 8768.95, 0.00287985/step Wall: 8768.95, 0.00287985/step, 1.58296 hours remaining, 206.410156 MB of memory in use. ENERGY: 3021200 730.8962 2094.0109 1944.4596 118.0896 -206005.4645 17730.8867 0.0000 0.0000 34313.5664 -149073.5551 299.6689 -183387.1214 -148979.2799 298.7183 -106.9663 -72.6638 558786.4888 0.0606 0.2007 PRESSURE: 3021400 244.474 22.8999 59.4357 22.8992 -3.87065 18.6433 59.4357 18.6432 446.782 GPRESSURE: 3021400 219.119 15.7626 120.581 70.6665 107.915 22.4982 4.73359 70.9973 447.253 PRESSAVG: 3021400 -43.0641 47.6579 51.8489 47.658 63.3134 42.7071 51.8489 42.7071 -17.6919 GPRESSAVG: 3021400 -43.6937 46.978 53.0586 48.5249 63.0021 45.1314 50.4772 40.2986 -17.3802 TIMING: 3021400 CPU: 8769.53, 0.00287491/step Wall: 8769.53, 0.00287491/step, 1.58008 hours remaining, 206.410156 MB of memory in use. ENERGY: 3021400 733.4896 2126.0048 1958.7964 107.5185 -206429.6397 18201.9887 0.0000 0.0000 34162.5533 -149139.2884 298.3501 -183301.8417 -149047.4792 299.1541 229.1283 258.0958 556294.1190 0.8525 0.6427 PRESSURE: 3021600 -161.756 -12.4442 -46.0972 -12.4441 305.477 103.549 -46.0972 103.549 19.025 GPRESSURE: 3021600 -156.606 47.4943 -7.49741 -62.9128 334.356 126.169 -99.4261 -46.1345 85.9608 PRESSAVG: 3021600 -36.5242 31.3406 27.9271 31.3405 50.136 24.9885 27.9271 24.9886 13.5145 GPRESSAVG: 3021600 -36.2215 33.9921 27.4609 31.2876 50.2409 24.2394 29.9588 25.8774 13.2718 TIMING: 3021600 CPU: 8770.11, 0.00288877/step Wall: 8770.11, 0.00288877/step, 1.58754 hours remaining, 206.410156 MB of memory in use. ENERGY: 3021600 710.6594 2174.1144 1951.4412 116.3865 -206088.5220 17692.4721 0.0000 0.0000 34327.1824 -149116.2661 299.7878 -183443.4485 -149028.5947 299.2142 54.2485 87.9034 556350.2575 9.0421 9.0971 PRESSURE: 3021800 -174.776 -49.9868 -46.3555 -49.988 -59.7228 66.3531 -46.3555 66.3544 137.298 GPRESSURE: 3021800 -111.889 87.3663 -33.509 -27.5497 11.0625 82.0726 -1.13363 -15.3777 106.735 PRESSAVG: 3021800 -23.6762 -25.7142 17.0214 -25.7141 12.7382 9.47968 17.0214 9.47985 -15.3005 GPRESSAVG: 3021800 -22.1072 -27.7019 16.4657 -25.392 12.5935 8.64589 16.6625 9.35435 -16.2542 TIMING: 3021800 CPU: 8770.68, 0.00288826/step Wall: 8770.68, 0.00288826/step, 1.5871 hours remaining, 206.410156 MB of memory in use. ENERGY: 3021800 728.5082 2087.3187 1970.2210 121.9389 -206128.2497 17723.1060 0.0000 0.0000 34398.1261 -149099.0308 300.4074 -183497.1569 -149010.0733 299.0820 -32.4003 1.9695 557902.1773 -8.7462 -8.5893 PRESSURE: 3022000 112.511 -114.353 84.7085 -114.352 -72.3343 -27.284 84.7089 -27.2855 82.0284 GPRESSURE: 3022000 98.5915 -178.28 120.36 -28.2164 -18.8838 -23.8562 119.905 -121.697 144.977 PRESSAVG: 3022000 -12.1258 -15.3436 -17.0533 -15.3436 2.47017 21.7029 -17.0533 21.7029 39.77 GPRESSAVG: 3022000 -13.1981 -14.5752 -18.5787 -13.9854 3.93885 22.9933 -15.9263 21.6254 39.5842 TIMING: 3022000 CPU: 8771.26, 0.00289791/step Wall: 8771.26, 0.00289791/step, 1.59224 hours remaining, 206.613281 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: 3022000 743.0673 2143.7159 1980.9673 108.4300 -206275.2390 17859.1734 0.0000 0.0000 34352.5634 -149087.3217 300.0095 -183439.8851 -148989.8444 299.0428 40.7350 74.8948 558416.5677 10.0381 10.1083 PRESSURE: 3022200 -70.0418 -8.78163 -27.8311 -8.7811 -208.589 -14.9337 -27.8322 -14.9342 -229.133 GPRESSURE: 3022200 -6.86614 -1.05343 45.0394 18.8988 -241.603 4.27081 -64.3732 -25.8331 -153.935 PRESSAVG: 3022200 9.57268 -27.1765 1.67483 -27.1764 -33.8573 35.1104 1.67481 35.1104 47.2617 GPRESSAVG: 3022200 11.2977 -28.2525 3.87726 -27.948 -35.8016 33.7927 0.247025 34.6485 47.521 TIMING: 3022200 CPU: 8771.85, 0.00291187/step Wall: 8771.85, 0.00291187/step, 1.59975 hours remaining, 206.613281 MB of memory in use. ENERGY: 3022200 792.6406 2105.5389 1976.0526 110.5317 -205906.7003 17618.7140 0.0000 0.0000 34264.2352 -149038.9872 299.2381 -183303.2225 -148944.1643 299.7933 -169.2548 -134.1345 558186.6439 7.6590 7.6724 PRESSURE: 3022400 156.107 91.738 108.66 91.7377 -5.75612 172.912 108.66 172.912 158.203 GPRESSURE: 3022400 222.813 -24.861 147.209 98.9957 -47.1868 172.208 -7.15393 90.6806 216.03 PRESSAVG: 3022400 16.2013 47.9359 -17.1963 47.9359 -53.0293 78.5674 -17.1961 78.5675 35.7564 GPRESSAVG: 3022400 15.3464 46.4095 -18.0526 47.7643 -52.0946 78.7428 -17.6706 79.7643 35.3292 TIMING: 3022400 CPU: 8772.43, 0.00293341/step Wall: 8772.43, 0.00293341/step, 1.61142 hours remaining, 206.613281 MB of memory in use. ENERGY: 3022400 751.9095 2101.6917 1934.1202 103.5940 -205891.3342 17947.8658 0.0000 0.0000 34175.4233 -148876.7298 298.4625 -183052.1531 -148784.1745 300.1615 102.8512 130.5522 558977.8047 -0.3572 -0.4730 PRESSURE: 3022600 99.3777 -141.96 -42.2219 -141.961 89.652 164.071 -42.2214 164.071 -179.161 GPRESSURE: 3022600 139.577 -192.109 -41.215 -75.7161 75.6767 236.833 -64.8908 94.8986 -108.73 PRESSAVG: 3022600 11.3638 33.1739 -10.0251 33.1737 39.7619 106.126 -10.0251 106.126 -32.6678 GPRESSAVG: 3022600 10.9975 33.0028 -10.3955 33.9244 39.71 105.433 -9.29741 104.819 -32.7568 TIMING: 3022600 CPU: 8773.01, 0.00289904/step Wall: 8773.01, 0.00289904/step, 1.59238 hours remaining, 206.613281 MB of memory in use. ENERGY: 3022600 760.0517 2155.5526 1948.2529 113.3118 -206408.5603 17912.8168 0.0000 0.0000 34362.0988 -149156.4758 300.0928 -183518.5746 -149057.2328 299.4895 3.2895 35.5079 557031.3903 6.1527 5.9836 PRESSURE: 3022800 -14.5164 102.575 0.599122 102.576 -112.65 23.0134 0.598534 23.0125 31.0443 GPRESSURE: 3022800 61.5727 132.448 -31.6353 132.15 -77.5175 29.3203 2.77076 18.9028 23.2867 PRESSAVG: 3022800 22.3088 55.8323 -11.988 55.8323 28.3106 -25.3815 -11.988 -25.3816 -55.9455 GPRESSAVG: 3022800 22.3356 56.0726 -12.7494 55.6392 28.7226 -25.0544 -9.85416 -24.6268 -56.8316 TIMING: 3022800 CPU: 8773.6, 0.00293058/step Wall: 8773.6, 0.00293058/step, 1.60954 hours remaining, 206.613281 MB of memory in use. ENERGY: 3022800 766.5765 2142.0878 1956.1460 121.6436 -206307.5547 17875.1639 0.0000 0.0000 34400.2699 -149045.6670 300.4261 -183445.9370 -148948.5093 299.8326 -32.0407 2.4473 557979.8431 -1.7754 -1.9245 PRESSURE: 3023000 -478.373 104.368 88.9842 104.369 -215.581 -146.434 88.9846 -146.433 -211.044 GPRESSURE: 3023000 -446.347 135.142 107.76 71.4728 -205.712 -129.798 99.1082 -155.088 -160.241 PRESSAVG: 3023000 23.6161 55.2195 8.08829 55.2194 -43.3204 -7.21727 8.08839 -7.21721 53.3829 GPRESSAVG: 3023000 22.8407 55.8085 10.229 55.0208 -43.4465 -6.97414 8.0507 -8.57785 53.7209 TIMING: 3023000 CPU: 8774.18, 0.00292582/step Wall: 8774.18, 0.00292582/step, 1.60676 hours remaining, 206.613281 MB of memory in use. ENERGY: 3023000 753.0910 2128.2325 1947.8008 128.8045 -205646.6531 17352.5528 0.0000 0.0000 34357.2991 -148978.8723 300.0508 -183336.1714 -148877.6341 299.4510 -301.6661 -270.7664 559156.8293 11.2262 11.0384 PRESSURE: 3023200 171.051 -112.954 207.969 -112.955 134.064 15.7525 207.968 15.755 -112.474 GPRESSURE: 3023200 206.345 -94.4195 101.833 -62.5219 197.792 45.6232 293.734 -104.271 -115.62 PRESSAVG: 3023200 18.3006 -1.06999 56.786 -1.06992 -41.9072 -42.2596 56.786 -42.2597 -5.77578 GPRESSAVG: 3023200 18.0793 -0.164925 54.9686 -1.85392 -41.9943 -43.8409 56.1713 -40.4032 -5.27206 TIMING: 3023200 CPU: 8774.77, 0.00292848/step Wall: 8774.77, 0.00292848/step, 1.60806 hours remaining, 206.613281 MB of memory in use. ENERGY: 3023200 742.2471 2121.2254 1920.9866 112.1033 -206290.0948 17991.6094 0.0000 0.0000 34365.8773 -149036.0457 300.1258 -183401.9229 -148942.3683 299.2453 64.2135 96.1724 559287.9389 -9.7941 -9.7290 PRESSURE: 3023400 -114.345 108.187 29.4229 108.186 68.4502 117.173 29.4231 117.172 184.304 GPRESSURE: 3023400 -42.7457 142.015 77.6401 63.1697 93.7555 90.3921 11.4048 167.786 167.528 PRESSAVG: 3023400 -8.73223 38.2963 47.8488 38.2963 -4.55636 -22.947 47.8487 -22.9472 82.3007 GPRESSAVG: 3023400 -9.06154 36.2661 50.1037 39.9286 -5.38042 -20.7287 43.5547 -24.5689 83.4134 TIMING: 3023400 CPU: 8775.35, 0.00291152/step Wall: 8775.35, 0.00291152/step, 1.59859 hours remaining, 206.613281 MB of memory in use. ENERGY: 3023400 752.5866 2171.2619 1938.9804 104.5797 -205924.7710 17833.2827 0.0000 0.0000 34251.1219 -148872.9578 299.1236 -183124.0797 -148781.9575 299.7342 46.1365 72.8459 558134.5880 23.0040 22.9905 PRESSURE: 3023600 -140.804 -8.81078 -63.1956 -8.81136 -184.268 -114.536 -63.1954 -114.537 -52.2206 GPRESSURE: 3023600 -158 -2.20232 -55.034 -2.27531 -112.8 -99.7506 -58.0477 -102.047 -6.07768 PRESSAVG: 3023600 16.8791 -15.9266 -25.507 -15.9266 -7.78389 -33.1187 -25.5071 -33.1187 6.44159 GPRESSAVG: 3023600 18.035 -12.9663 -26.5899 -16.6022 -8.48124 -33.9651 -22.2227 -32.3608 5.44961 TIMING: 3023600 CPU: 8775.93, 0.00291165/step Wall: 8775.93, 0.00291165/step, 1.59849 hours remaining, 206.613281 MB of memory in use. ENERGY: 3023600 771.9423 2076.0847 1938.8081 109.0240 -205922.8141 17677.4174 0.0000 0.0000 34413.2306 -148936.3070 300.5393 -183349.5376 -148840.2707 300.1351 -125.7641 -92.2924 558019.3909 5.1789 5.0011 PRESSURE: 3023800 91.7009 25.2464 102.978 25.2435 -183.827 -68.6091 102.976 -68.608 -136.737 GPRESSURE: 3023800 88.4885 16.1579 147.497 19.5748 -150.701 -50.6571 78.4049 -21.4666 -76.1111 PRESSAVG: 3023800 -28.8396 5.67349 -12.9403 5.67344 -86.7779 5.05618 -12.9404 5.05622 113.531 GPRESSAVG: 3023800 -29.4015 4.10123 -12.1153 6.03728 -85.4636 3.45143 -14.0182 6.24405 112.484 TIMING: 3023800 CPU: 8776.52, 0.00293765/step Wall: 8776.52, 0.00293765/step, 1.6126 hours remaining, 206.613281 MB of memory in use. ENERGY: 3023800 762.4195 2075.7326 1975.5961 110.0735 -205670.1270 17564.5095 0.0000 0.0000 34342.4342 -148839.3617 299.9210 -183181.7959 -148742.6252 299.8090 -76.2877 -46.1080 557543.0028 -0.6956 -0.7938 PRESSURE: 3024000 -12.9121 8.63834 19.5492 8.63789 109.244 -181.09 19.5488 -181.089 5.50847 GPRESSURE: 3024000 -2.82669 -11.0751 8.30027 0.85379 126.421 -163.048 91.7216 -103.847 76.2758 PRESSAVG: 3024000 26.6657 -15.4434 14.7489 -15.4434 -24.0903 -50.8547 14.749 -50.8546 64.1972 GPRESSAVG: 3024000 26.1367 -14.3399 14.069 -16.4848 -24.6865 -47.2929 13.9872 -50.7777 64.8955 TIMING: 3024000 CPU: 8777.11, 0.00292811/step Wall: 8777.11, 0.00292811/step, 1.60721 hours remaining, 206.613281 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: 3024000 770.5770 2069.7552 1962.7076 125.2892 -206457.0351 17973.4990 0.0000 0.0000 34439.4279 -149115.7791 300.7681 -183555.2070 -149014.8361 300.3559 33.9469 66.6234 557090.9270 22.2575 22.1153 PRESSURE: 3024200 96.5748 -105.297 93.0476 -105.297 161.267 -56.7798 93.0484 -56.7783 114.834 GPRESSURE: 3024200 89.9648 -10.8811 144.093 -122.656 210.481 -4.62943 115.06 -157.395 160.851 PRESSAVG: 3024200 7.47447 30.9423 75.6084 30.9423 -3.90905 -41.1916 75.6085 -41.1916 38.4312 GPRESSAVG: 3024200 8.01007 30.6283 75.3711 30.7422 -3.90151 -42.2663 76.6112 -42.2653 37.3756 TIMING: 3024200 CPU: 8777.7, 0.00293692/step Wall: 8777.7, 0.00293691/step, 1.61188 hours remaining, 206.613281 MB of memory in use. ENERGY: 3024200 712.4046 2057.8244 1987.3624 106.9711 -206327.4693 17942.9597 0.0000 0.0000 34242.2888 -149277.6584 299.0464 -183519.9472 -149177.1615 299.2650 124.2250 153.7654 556709.6882 13.9989 13.8280 LDB: ============= START OF LOAD BALANCING ============== 8781.16 LDB: ============== END OF LOAD BALANCING =============== 8781.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8781.17 LDB: ============= START OF LOAD BALANCING ============== 8781.46 LDB: Largest compute 4849 load 0.028787 is 24.4% of average load 0.117920 LDB: Average compute 0.001701 is 1.4% of average load 0.117920 LDB: TIME 8781.46 LOAD: AVG 0.11792 MAX 0.179633 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8781.46 LOAD: AVG 0.11792 MAX 0.179633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: TIME 8781.46 LOAD: AVG 0.11792 MAX 0.179633 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8781.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8781.47 PRESSURE: 3024400 57.5602 60.9885 26.1796 60.9896 -265.726 81.7618 26.1791 81.7617 -200.596 GPRESSURE: 3024400 54.9215 115.815 -18.8492 30.1421 -212.627 126.852 57.7386 -22.667 -163.191 PRESSAVG: 3024400 17.4287 33.5964 11.9632 33.5965 -58.2783 -22.5644 11.9633 -22.5644 40.6755 GPRESSAVG: 3024400 17.4404 35.2562 14.1107 31.6697 -58.9841 -23.2263 11.8012 -22.6131 41.0085 TIMING: 3024400 CPU: 8778.29, 0.00298352/step Wall: 8778.29, 0.00298352/step, 1.63729 hours remaining, 206.781250 MB of memory in use. ENERGY: 3024400 715.6197 2105.1601 1955.3322 113.0139 -205873.0087 17444.8653 0.0000 0.0000 34244.6817 -149294.3358 299.0673 -183539.0175 -149194.7205 298.8339 -136.2542 -106.9657 557278.6091 -0.0580 -0.1784 PRESSURE: 3024600 14.6908 -85.0852 58.9275 -85.0856 37.3015 -56.7831 58.9281 -56.782 244.477 GPRESSURE: 3024600 37.6773 -48.6462 57.8751 -89.9178 92.1349 -94.3092 38.9205 -19.4248 268.204 PRESSAVG: 3024600 -35.9398 -5.03617 20.711 -5.03621 27.814 30.5123 20.7109 30.5124 41.4107 GPRESSAVG: 3024600 -36.0404 -4.70314 20.3129 -2.87305 28.5586 31.4203 22.6509 28.6914 40.3668 TIMING: 3024600 CPU: 8778.87, 0.00289848/step Wall: 8778.87, 0.00289848/step, 1.59046 hours remaining, 206.984375 MB of memory in use. ENERGY: 3024600 718.8765 2117.1423 1947.4819 111.6226 -205900.9266 17851.4799 0.0000 0.0000 34022.4616 -149131.8616 297.1266 -183154.3233 -149035.4145 299.3787 98.8232 132.6719 556985.2834 11.0950 10.9617 PRESSURE: 3024800 -237.331 237.803 87.2446 237.802 -215.262 104.16 87.244 104.16 -209.22 GPRESSURE: 3024800 -248.674 157.899 74.3262 245.885 -185.244 134.712 77.2322 -5.15747 -142.009 PRESSAVG: 3024800 -26.5548 -22.4034 -14.6665 -22.4034 44.2361 -36.7641 -14.6665 -36.7639 -26.0567 GPRESSAVG: 3024800 -26.823 -21.6606 -15.5965 -22.188 42.99 -35.0197 -16.6467 -37.369 -25.306 TIMING: 3024800 CPU: 8779.45, 0.00288341/step Wall: 8779.45, 0.00288341/step, 1.58203 hours remaining, 206.984375 MB of memory in use. ENERGY: 3024800 763.2940 2079.7383 1956.2321 111.4153 -205605.7115 17465.9464 0.0000 0.0000 34224.9528 -149004.1324 298.8950 -183229.0852 -148903.0484 299.5547 -220.6043 -191.9754 557461.5407 -2.7918 -3.0463 PRESSURE: 3025000 22.4945 -0.559536 -104.28 -0.55856 -111.258 82.541 -104.278 82.5414 2.60002 GPRESSURE: 3025000 10.0407 15.1871 -118.554 -9.12733 -31.1926 60.1676 -104.611 67.968 41.8876 PRESSAVG: 3025000 -65.1886 -3.4616 -52.4785 -3.46156 50.2747 43.8204 -52.4785 43.8204 -0.356066 GPRESSAVG: 3025000 -66.026 -7.74808 -53.7764 -1.75004 49.6268 41.3711 -51.7511 47.6733 1.19086 TIMING: 3025000 CPU: 8780.03, 0.00290183/step Wall: 8780.03, 0.00290183/step, 1.59198 hours remaining, 207.109375 MB of memory in use. ENERGY: 3025000 755.1154 2054.0476 1952.7279 116.8606 -206244.8773 18014.8594 0.0000 0.0000 34305.5467 -149045.7196 299.5989 -183351.2664 -148945.8371 300.0291 -28.7213 6.9119 559344.9876 -5.0900 -5.0695 PRESSURE: 3025200 -34.7889 -16.866 -28.4946 -16.865 59.7629 -245.134 -28.4951 -245.132 240.937 GPRESSURE: 3025200 7.67 -54.6478 -24.8735 -48.9244 79.2322 -127.708 -22.3458 -232.045 272.386 PRESSAVG: 3025200 14.0779 15.514 33.9158 15.514 -5.13956 -27.4637 33.9159 -27.4636 -51.342 GPRESSAVG: 3025200 14.3216 18.7328 37.4819 13.8816 -4.27706 -25.1081 31.6807 -29.5929 -52.4184 TIMING: 3025200 CPU: 8780.61, 0.00289979/step Wall: 8780.61, 0.00289979/step, 1.5907 hours remaining, 207.109375 MB of memory in use. ENERGY: 3025200 721.5680 2101.5873 1944.1811 107.3842 -206105.0533 17912.0548 0.0000 0.0000 34220.2308 -149098.0473 298.8538 -183318.2780 -148999.5197 299.3150 88.6369 119.7627 558887.6724 -14.1346 -14.1246 PRESSURE: 3025400 85.7408 24.0304 73.8892 24.0291 -227.886 60.4943 73.8891 60.4928 -35.3615 GPRESSURE: 3025400 100.841 53.3821 43.2952 -8.39789 -164.027 91.0191 97.2778 40.56 -25.4398 PRESSAVG: 3025400 -13.4753 -50.3447 26.4332 -50.3447 -32.5106 6.98635 26.4331 6.9863 78.1901 GPRESSAVG: 3025400 -13.3629 -51.7202 25.1516 -49.7974 -32.7519 5.95975 28.2689 7.04502 78.1934 TIMING: 3025400 CPU: 8781.19, 0.0029015/step Wall: 8781.19, 0.0029015/step, 1.59147 hours remaining, 207.109375 MB of memory in use. ENERGY: 3025400 761.0949 2096.0970 1952.4937 110.9322 -206172.7221 17832.5296 0.0000 0.0000 34291.1572 -149128.4175 299.4732 -183419.5748 -149030.5904 299.7814 -59.1690 -29.5421 558386.8077 10.7347 10.6929 PRESSURE: 3025600 42.9456 51.6139 37.7076 51.6138 -248.845 17.7351 37.7053 17.7346 51.5185 GPRESSURE: 3025600 39.136 99.6227 19.2462 130.703 -233.179 67.6022 65.6539 -42.0031 137.923 PRESSAVG: 3025600 -66.7775 2.4562 35.8033 2.45619 34.7857 17.4589 35.8034 17.4589 26.9961 GPRESSAVG: 3025600 -66.5597 5.10653 34.7503 0.0341325 34.191 17.0787 35.0734 19.6251 27.3296 TIMING: 3025600 CPU: 8781.77, 0.00289218/step Wall: 8781.77, 0.00289218/step, 1.5862 hours remaining, 207.109375 MB of memory in use. ENERGY: 3025600 750.9669 2182.6849 1955.4090 113.3903 -206127.3533 17832.5310 0.0000 0.0000 34165.3580 -149127.0132 298.3746 -183292.3712 -149021.1386 299.5906 -51.4602 -18.7068 558336.6399 -1.6652 -1.6797 PRESSURE: 3025800 505.906 91.0244 -171.876 91.0246 39.4496 -55.3881 -171.877 -55.3871 167.011 GPRESSURE: 3025800 486.244 73.4678 -179.268 128.279 66.2101 -104.337 -173.936 -48.9308 243.563 PRESSAVG: 3025800 2.4132 19.8874 13.1248 19.8873 6.26348 -30.2546 13.1248 -30.2546 26.019 GPRESSAVG: 3025800 2.54477 17.6497 13.7202 21.7119 6.96609 -31.1493 11.7702 -32.6741 25.2515 TIMING: 3025800 CPU: 8782.34, 0.00287355/step Wall: 8782.34, 0.00287355/step, 1.57582 hours remaining, 207.109375 MB of memory in use. ENERGY: 3025800 762.6946 2053.3094 1956.8174 107.5821 -206634.4369 18221.7651 0.0000 0.0000 34436.1184 -149096.1498 300.7392 -183532.2681 -148997.6905 299.6842 237.4555 265.3390 558201.8579 11.5652 11.5875 PRESSURE: 3026000 -13.8679 16.7641 210.255 16.7637 234.542 79.7723 210.256 79.7716 316.414 GPRESSURE: 3026000 26.8698 -43.9607 246.451 71.5047 270.01 98.4136 106.749 28.7657 346.871 PRESSAVG: 3026000 21.2015 -37.3233 -13.4053 -37.3231 -47.4519 -31.0523 -13.4052 -31.0523 45.1949 GPRESSAVG: 3026000 20.6065 -37.0538 -14.2195 -37.8681 -47.5195 -29.6334 -11.697 -30.9919 45.9086 TIMING: 3026000 CPU: 8782.92, 0.00290107/step Wall: 8782.92, 0.00290107/step, 1.59075 hours remaining, 207.109375 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: 3026000 763.8636 2088.6224 1961.1576 112.1733 -206538.5489 18190.3505 0.0000 0.0000 34398.2552 -149024.1263 300.4085 -183422.3815 -148925.6117 299.8522 179.0293 214.5835 557287.3099 6.3148 6.3319 PRESSURE: 3026200 629.774 66.3567 113.863 66.3565 112.831 22.2347 113.862 22.2358 136.33 GPRESSURE: 3026200 614.059 142.746 109.656 93.054 142.306 157.889 154.544 110.894 199.781 PRESSAVG: 3026200 -39.9963 17.1714 66.3195 17.1714 -26.2614 -40.8534 66.3195 -40.8534 70.9616 GPRESSAVG: 3026200 -40.4592 16.6026 66.4968 17.5915 -26.0842 -42.9312 65.7954 -38.2874 71.2211 TIMING: 3026200 CPU: 8783.5, 0.00289601/step Wall: 8783.5, 0.00289601/step, 1.58782 hours remaining, 207.109375 MB of memory in use. ENERGY: 3026200 710.0489 2107.7876 1941.2692 110.3789 -206572.2741 18176.5426 0.0000 0.0000 34303.8855 -149222.3612 299.5844 -183526.2468 -149123.2965 299.7804 292.9781 318.7154 558122.0898 1.5679 1.5592 PRESSURE: 3026400 -73.1113 -149.654 -47.3153 -149.655 -183.856 -29.8619 -47.3159 -29.8627 142.381 GPRESSURE: 3026400 -16.3035 -77.976 -74.5501 -243.981 -172.577 -51.6112 19.0031 26.9291 177.5 PRESSAVG: 3026400 46.8713 41.2411 40.351 41.2412 -119.878 39.778 40.351 39.778 13.7649 GPRESSAVG: 3026400 46.5769 43.0715 41.3133 39.9673 -118.836 41.8006 40.5661 39.2052 13.2225 TIMING: 3026400 CPU: 8784.08, 0.00290969/step Wall: 8784.08, 0.00290969/step, 1.59516 hours remaining, 207.109375 MB of memory in use. ENERGY: 3026400 729.2364 2083.8792 1944.3837 118.6789 -205940.9798 17652.4023 0.0000 0.0000 34098.4041 -149313.9951 297.7898 -183412.3992 -149221.1858 299.6123 -38.1952 -3.7936 557436.6839 -19.7473 -19.6790 PRESSURE: 3026600 50.5517 176.388 3.3848 176.387 44.5116 109.569 3.38282 109.569 -279.834 GPRESSURE: 3026600 134.927 153.256 115.443 211.264 37.9711 64.4307 -6.05899 96.0751 -269.578 PRESSAVG: 3026600 20.4277 20.3905 -12.2176 20.3904 -0.657181 22.4096 -12.2174 22.4097 -23.8271 GPRESSAVG: 3026600 20.3102 18.1457 -13.5959 22.1089 -1.58696 19.8641 -12.3064 21.8426 -23.0928 TIMING: 3026600 CPU: 8784.67, 0.00292762/step Wall: 8784.67, 0.00292762/step, 1.60482 hours remaining, 207.109375 MB of memory in use. ENERGY: 3026600 731.7031 2076.5857 1935.2230 118.0833 -205850.7396 17748.1319 0.0000 0.0000 34129.5782 -149111.4344 298.0621 -183241.0126 -149018.4305 299.1846 -61.5903 -32.2267 557828.0331 -1.3522 -1.4565 PRESSURE: 3026800 -183.246 5.66083 277.507 5.66089 -33.6437 -127.009 277.506 -127.009 83.1071 GPRESSURE: 3026800 -147.83 -1.9648 222.214 5.22603 6.39686 -38.3555 260.905 -172.683 107.343 PRESSAVG: 3026800 -12.5091 36.0128 31.3116 36.0128 -1.30714 -7.88653 31.3116 -7.88659 -15.5745 GPRESSAVG: 3026800 -12.3443 34.7794 31.2746 37.3191 -0.476744 -6.40707 30.3833 -9.86136 -16.3504 TIMING: 3026800 CPU: 8785.25, 0.00292839/step Wall: 8785.25, 0.00292839/step, 1.60508 hours remaining, 207.109375 MB of memory in use. ENERGY: 3026800 745.4948 2060.0876 1965.9159 117.9749 -205847.9655 17627.6560 0.0000 0.0000 34209.9665 -149120.8699 298.7641 -183330.8363 -149030.1023 299.4770 -44.5942 -11.3634 557591.4068 -9.7969 -9.7238 PRESSURE: 3027000 33.4844 40.8074 72.2892 40.8078 -23.7173 12.7667 72.2904 12.7666 200.667 GPRESSURE: 3027000 102.493 116.973 93.662 -12.1773 22.3275 -11.9547 94.1993 62.9042 177.523 PRESSAVG: 3027000 7.6856 -18.0206 23.652 -18.0207 -43.1748 22.7672 23.6521 22.7669 70.7188 GPRESSAVG: 3027000 8.40393 -17.6815 24.2005 -20.521 -43.4676 22.4292 23.8801 23.8677 70.4929 TIMING: 3027000 CPU: 8785.84, 0.0029155/step Wall: 8785.84, 0.0029155/step, 1.59786 hours remaining, 207.109375 MB of memory in use. ENERGY: 3027000 720.2588 2069.7272 1947.0973 106.4876 -206495.3458 18046.5067 0.0000 0.0000 34424.1548 -149181.1133 300.6347 -183605.2681 -149086.3455 299.5283 70.1448 100.7812 557840.9864 11.7432 11.8098 PRESSURE: 3027200 30.5281 69.3159 56.6987 69.3167 -199.536 25.0508 56.7003 25.0489 84.337 GPRESSURE: 3027200 34.8092 51.924 104.573 121.3 -203.38 74.3869 79.5338 52.7188 170.447 PRESSAVG: 3027200 35.7541 49.4828 -18.139 49.4827 -29.1308 4.25278 -18.139 4.25267 53.1062 GPRESSAVG: 3027200 35.4918 52.133 -17.6576 50.2114 -30.3868 5.872 -18.1875 3.08641 54.0053 TIMING: 3027200 CPU: 8786.42, 0.00289549/step Wall: 8786.42, 0.00289549/step, 1.58673 hours remaining, 207.109375 MB of memory in use. ENERGY: 3027200 783.9468 2056.4421 1935.4347 111.2550 -206277.3157 17818.6613 0.0000 0.0000 34429.1481 -149142.4276 300.6783 -183571.5757 -149040.7667 299.8346 -28.2237 0.6256 558007.0129 19.9099 19.7034 PRESSURE: 3027400 -311.945 317.476 -40.9276 317.475 -72.2123 49.9336 -40.9285 49.9354 -199.045 GPRESSURE: 3027400 -267.926 319.389 -111.767 307.606 -20.3122 51.4802 77.1753 16.0348 -206.143 PRESSAVG: 3027400 -53.9717 21.2219 44.8667 21.2219 -21.1996 43.1782 44.8668 43.1782 57.4357 GPRESSAVG: 3027400 -54.6501 19.7857 44.3956 22.6606 -20.2269 43.8438 45.6624 43.5207 57.3956 TIMING: 3027400 CPU: 8787, 0.00290399/step Wall: 8787, 0.00290399/step, 1.59123 hours remaining, 207.109375 MB of memory in use. ENERGY: 3027400 736.4758 2115.7188 1971.2959 107.5833 -205886.0868 17484.2266 0.0000 0.0000 34469.2889 -149001.4974 301.0289 -183470.7863 -148903.7485 299.7242 -194.4009 -164.7937 557491.9573 -5.9119 -5.8271 PRESSURE: 3027600 -0.44297 133.1 155.735 133.1 -31.5685 28.4153 155.735 28.4137 292.191 GPRESSURE: 3027600 47.8125 112.192 163.943 96.7495 -68.1854 32.0607 111.807 77.4986 378.912 PRESSAVG: 3027600 -80.8265 41.5147 45.8461 41.5147 40.3072 34.3019 45.8461 34.3019 6.16811 GPRESSAVG: 3027600 -79.9912 42.3324 45.085 39.262 39.0574 31.6093 46.0771 35.0101 6.14141 TIMING: 3027600 CPU: 8787.58, 0.00290348/step Wall: 8787.58, 0.00290348/step, 1.59079 hours remaining, 207.109375 MB of memory in use. ENERGY: 3027600 737.1641 2061.5358 1965.8277 106.2401 -206108.6681 17892.0246 0.0000 0.0000 34311.9772 -149033.8985 299.6550 -183345.8757 -148928.7897 299.8127 86.7264 119.5130 557349.4312 -11.4504 -11.5975 PRESSURE: 3027800 134.081 -98.5093 16.9114 -98.5095 194.281 46.3495 16.9117 46.3496 -0.847264 GPRESSURE: 3027800 152.664 -136.813 -41.6473 38.512 231.207 61.627 -13.5581 53.1278 20.8719 PRESSAVG: 3027800 -51.7144 10.5137 24.0443 10.5137 24.4138 32.5055 24.0442 32.5054 55.2942 GPRESSAVG: 3027800 -53.204 10.5352 25.6257 11.453 26.5185 34.9735 23.0641 33.5694 54.414 TIMING: 3027800 CPU: 8788.16, 0.00290577/step Wall: 8788.16, 0.00290577/step, 1.59188 hours remaining, 207.109375 MB of memory in use. ENERGY: 3027800 740.0715 2057.0137 1976.8549 114.6958 -206366.5319 18062.9174 0.0000 0.0000 34343.1942 -149071.7845 299.9277 -183414.9787 -148970.4195 299.9746 109.1714 134.9142 557905.2907 9.3312 9.2428 PRESSURE: 3028000 108.252 3.70251 167.244 3.70211 234.378 66.0742 167.242 66.0751 34.14 GPRESSURE: 3028000 150.077 -50.7827 66.4321 68.7361 259.021 97.8157 201.132 91.201 49.7634 PRESSAVG: 3028000 0.759028 34.8632 -19.9368 34.8633 -17.1394 -13.4407 -19.9367 -13.4408 11.65 GPRESSAVG: 3028000 1.66215 36.3572 -21.3953 35.6362 -17.8966 -12.126 -18.5151 -15.5704 11.1914 TIMING: 3028000 CPU: 8788.74, 0.00289348/step Wall: 8788.74, 0.00289348/step, 1.58499 hours remaining, 207.117188 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: 3028000 749.9567 2019.7008 1987.6774 116.5997 -206388.9688 18107.4801 0.0000 0.0000 34350.6793 -149056.8749 299.9930 -183407.5542 -148962.8954 299.3991 125.5899 152.9539 558472.6055 -1.5768 -1.6810 PRESSURE: 3028200 -65.1343 105.774 -2.4522 105.774 -139.22 -53.5911 -2.45233 -53.5918 -5.7181 GPRESSURE: 3028200 -28.4001 68.7849 -18.6965 108.903 -54.0445 -91.0428 -19.128 35.3363 -20.0846 PRESSAVG: 3028200 81.5539 -29.9732 26.9457 -29.9732 -48.0493 18.0656 26.9459 18.0656 -49.8554 GPRESSAVG: 3028200 80.8859 -31.3754 25.6929 -31.0175 -48.2855 14.0978 26.2539 19.5726 -49.2556 TIMING: 3028200 CPU: 8789.32, 0.00292245/step Wall: 8789.32, 0.00292245/step, 1.60069 hours remaining, 207.117188 MB of memory in use. ENERGY: 3028200 745.7744 2093.1267 1944.8960 109.5370 -206254.7086 17881.0903 0.0000 0.0000 34235.1595 -149245.1248 298.9842 -183480.2843 -149145.0389 299.7626 -70.0242 -34.1764 557998.8519 -5.4503 -5.5517 LDB: ============= START OF LOAD BALANCING ============== 8792.79 LDB: ============== END OF LOAD BALANCING =============== 8792.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8792.79 LDB: ============= START OF LOAD BALANCING ============== 8793.08 LDB: Largest compute 4848 load 0.028098 is 23.8% of average load 0.117833 LDB: Average compute 0.001709 is 1.5% of average load 0.117833 LDB: TIME 8793.08 LOAD: AVG 0.117833 MAX 0.179056 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.48 MB LDB: TIME 8793.09 LOAD: AVG 0.117833 MAX 0.179056 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: TIME 8793.09 LOAD: AVG 0.117833 MAX 0.179056 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: ============== END OF LOAD BALANCING =============== 8793.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8793.09 PRESSURE: 3028400 220.073 13.6039 -28.4417 13.6032 24.9792 19.0509 -28.4415 19.0512 -111.897 GPRESSURE: 3028400 241.348 -42.0989 -66.9697 -45.8556 59.2342 -87.9573 -54.0424 15.7195 -70.1016 PRESSAVG: 3028400 9.97793 13.7895 -4.94447 13.7895 20.0542 26.9832 -4.94456 26.9834 -13.7361 GPRESSAVG: 3028400 10.3245 15.6422 -1.09932 12.2033 21.1219 25.8853 -7.96412 27.3164 -15.0167 TIMING: 3028400 CPU: 8789.92, 0.00296781/step Wall: 8789.92, 0.00296781/step, 1.62537 hours remaining, 207.429688 MB of memory in use. ENERGY: 3028400 712.3838 2091.0140 1942.0512 106.2778 -206154.9989 17849.5839 0.0000 0.0000 34384.6582 -149069.0301 300.2898 -183453.6883 -148970.9715 299.9987 44.3850 76.8269 557816.7133 5.4320 5.4765 PRESSURE: 3028600 -82.6656 -27.7438 -30.2773 -27.7443 153.89 178.729 -30.277 178.729 -43.9662 GPRESSURE: 3028600 -47.1882 -0.580383 -88.2047 28.8521 151.245 138.005 -9.85829 230.807 14.2203 PRESSAVG: 3028600 42.6724 17.0088 19.0448 17.0089 1.47404 -31.3641 19.0448 -31.3641 -36.1783 GPRESSAVG: 3028600 42.4591 14.4251 17.2513 19.9019 0.734041 -29.9407 21.1031 -32.6634 -35.6397 TIMING: 3028600 CPU: 8790.5, 0.00292319/step Wall: 8790.5, 0.00292319/step, 1.60077 hours remaining, 207.500000 MB of memory in use. ENERGY: 3028600 749.5729 2081.0502 1967.4042 108.7863 -206017.7040 17829.3918 0.0000 0.0000 34220.8648 -149060.6337 298.8593 -183281.4985 -148966.4307 299.4980 9.0861 39.4258 557949.3603 2.6560 2.5178 PRESSURE: 3028800 40.6938 47.0423 137.955 47.0415 96.9673 -133.252 137.956 -133.251 -353.931 GPRESSURE: 3028800 47.0825 42.4182 133.277 67.5781 137.317 -112.655 114.122 -99.2987 -295.938 PRESSAVG: 3028800 39.0123 -4.56955 34.7602 -4.56958 -68.9663 -52.4244 34.7602 -52.4244 -12.4325 GPRESSAVG: 3028800 39.4705 -3.99612 34.7934 -6.216 -70.1904 -50.5272 36.366 -52.7729 -11.711 TIMING: 3028800 CPU: 8791.08, 0.0028973/step Wall: 8791.08, 0.0028973/step, 1.58643 hours remaining, 207.500000 MB of memory in use. ENERGY: 3028800 760.0998 2063.0500 1966.5268 108.5816 -206482.8397 17970.6272 0.0000 0.0000 34298.2632 -149315.6911 299.5353 -183613.9543 -149215.3692 299.3959 -72.0899 -37.1796 558250.4513 -14.1288 -14.1436 PRESSURE: 3029000 57.2271 -9.99054 -33.5439 -9.99079 -47.2686 -157.842 -33.5425 -157.842 -77.5722 GPRESSURE: 3029000 59.2713 59.5329 -21.3928 -21.3382 18.1926 -89.0397 -6.45676 -147.321 -39.4026 PRESSAVG: 3029000 -59.7313 19.9569 28.8044 19.9569 54.9523 -22.4178 28.8044 -22.4178 -4.96213 GPRESSAVG: 3029000 -58.6134 19.904 29.7753 23.0857 55.9233 -23.0157 25.7166 -20.1035 -7.07969 TIMING: 3029000 CPU: 8791.66, 0.00290142/step Wall: 8791.66, 0.00290142/step, 1.58853 hours remaining, 207.695312 MB of memory in use. ENERGY: 3029000 759.4839 2058.3004 1973.1235 116.8224 -206167.9236 17864.8460 0.0000 0.0000 34173.1146 -149222.2329 298.4423 -183395.3475 -149129.0471 298.3293 -22.5379 12.6871 557115.2908 -3.2471 -3.2566 PRESSURE: 3029200 0.143577 -58.3769 -62.818 -58.3766 -102.069 130.689 -62.8186 130.689 -77.3897 GPRESSURE: 3029200 34.4744 -109.345 -84.644 21.4017 -21.9167 148.357 -73.5853 63.6435 -96.7474 PRESSAVG: 3029200 -81.7014 14.996 -14.3306 14.9959 56.4321 -6.67225 -14.3305 -6.67231 39.4394 GPRESSAVG: 3029200 -83.1454 16.6125 -15.9254 12.6951 56.3169 -7.3485 -13.1466 -8.8256 41.2785 TIMING: 3029200 CPU: 8792.25, 0.00293194/step Wall: 8792.25, 0.00293194/step, 1.60507 hours remaining, 207.695312 MB of memory in use. ENERGY: 3029200 751.3255 2099.2540 1924.3578 112.3442 -206775.0616 18111.5100 0.0000 0.0000 34474.5862 -149301.6840 301.0751 -183776.2702 -149210.4586 299.6818 -59.7717 -28.0632 558041.2689 4.7234 4.8167 PRESSURE: 3029400 53.7918 -0.266656 -97.9036 -0.266554 -281.802 -40.0141 -97.9054 -40.012 -174.899 GPRESSURE: 3029400 127.023 72.5091 -49.1367 9.04602 -250.779 -74.4332 -129.998 15.0819 -183.135 PRESSAVG: 3029400 -33.0695 -61.3096 -12.9145 -61.3095 45.1199 36.8672 -12.9146 36.8672 -0.088267 GPRESSAVG: 3029400 -30.6916 -62.7478 -12.1423 -60.8647 43.1629 38.7284 -13.0696 36.3562 -0.880511 TIMING: 3029400 CPU: 8792.83, 0.00292034/step Wall: 8792.83, 0.00292034/step, 1.59856 hours remaining, 207.894531 MB of memory in use. ENERGY: 3029400 768.2657 2119.2933 1945.6410 108.7327 -206437.5352 17956.7399 0.0000 0.0000 34330.2083 -149208.6545 299.8142 -183538.8628 -149113.5795 298.7719 -134.3029 -102.2970 559797.0152 3.9874 3.8636 PRESSURE: 3029600 23.6445 -59.5072 121.683 -59.5075 -57.6242 4.10224 121.682 4.10164 -224.958 GPRESSURE: 3029600 87.607 -37.8234 148.704 -124.679 16.3797 4.74319 166.246 71.7649 -264.384 PRESSAVG: 3029600 45.6457 -18.603 -2.2081 -18.6031 -36.4179 27.6353 -2.20814 27.6354 17.6079 GPRESSAVG: 3029600 43.9038 -20.9935 -0.912896 -17.3644 -33.9216 28.3137 -1.78908 29.5033 17.0126 TIMING: 3029600 CPU: 8793.42, 0.00292647/step Wall: 8793.42, 0.00292647/step, 1.60176 hours remaining, 207.894531 MB of memory in use. ENERGY: 3029600 768.5427 2112.0965 1961.7688 109.5330 -206250.0394 17843.6165 0.0000 0.0000 34213.7216 -149240.7602 298.7969 -183454.4818 -149140.7400 298.9277 -86.3126 -53.4658 559062.5237 8.9452 8.9983 PRESSURE: 3029800 194.136 36.1742 30.469 36.1746 340.956 84.2076 30.4681 84.2078 133.851 GPRESSURE: 3029800 218.711 5.2481 90.4705 7.53042 378.885 77.0576 -84.8468 118.125 172.074 PRESSAVG: 3029800 14.81 -6.72416 15.6016 -6.72416 -32.7037 21.2181 15.6016 21.2181 9.45284 GPRESSAVG: 3029800 14.5568 -6.33769 15.0324 -6.86309 -33.4804 19.9006 16.0971 20.9142 10.7384 TIMING: 3029800 CPU: 8794, 0.00289857/step Wall: 8794, 0.00289857/step, 1.58632 hours remaining, 207.894531 MB of memory in use. ENERGY: 3029800 750.8450 2056.1015 1954.8827 102.3381 -206868.8157 18384.9371 0.0000 0.0000 34298.6475 -149321.0638 299.5386 -183619.7113 -149227.3475 299.0132 222.9808 256.5567 558124.2705 -2.8136 -2.7284 PRESSURE: 3030000 330.409 -73.912 -35.3073 -73.9116 -59.8904 -2.22477 -35.3078 -2.22568 -18.5683 GPRESSURE: 3030000 337.779 -79.6123 -18.4058 -62.7255 -40.0239 51.5062 -122.463 -72.603 59.7158 PRESSAVG: 3030000 49.3604 -13.7306 55.2329 -13.7307 -1.02109 32.1824 55.2329 32.1823 -30.8779 GPRESSAVG: 3030000 48.9089 -10.9587 53.872 -16.7866 -1.03634 33.7173 54.7903 30.7459 -30.4696 TIMING: 3030000 CPU: 8794.58, 0.00290214/step Wall: 8794.58, 0.00290214/step, 1.58811 hours remaining, 207.894531 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: 3030000 770.2259 2102.9473 1965.3221 118.1571 -206328.0832 17975.5844 0.0000 0.0000 34021.7706 -149374.0757 297.1206 -183395.8464 -149277.2587 298.4612 83.9834 119.1568 556886.6426 5.8204 5.8010 PRESSURE: 3030200 -20.834 107.627 92.0593 107.626 72.5588 54.654 92.0589 54.6527 116.6 GPRESSURE: 3030200 45.0816 184.155 20.0274 72.5639 141.253 -7.82851 95.496 82.9136 84.1549 PRESSAVG: 3030200 -16.6627 -4.77387 -23.9157 -4.77388 56.0277 -1.60233 -23.9158 -1.6023 -36.9973 GPRESSAVG: 3030200 -17.9676 -5.65803 -23.9522 -2.03197 56.6916 -1.72835 -23.4988 -0.968511 -36.3398 TIMING: 3030200 CPU: 8795.16, 0.00293674/step Wall: 8795.16, 0.00293674/step, 1.60689 hours remaining, 207.894531 MB of memory in use. ENERGY: 3030200 750.5537 2099.2914 1957.7573 114.9070 -206201.1021 17866.4639 0.0000 0.0000 34025.9872 -149386.1415 297.1574 -183412.1287 -149293.7724 297.8336 56.1082 90.1632 557202.2339 0.7892 0.7947 PRESSURE: 3030400 -14.6867 53.8848 -152.357 53.8835 109.873 -15.3678 -152.356 -15.3681 71.143 GPRESSURE: 3030400 69.2637 94.5231 -112.27 114.347 112.827 -45.0359 -127.778 12.492 80.9781 PRESSAVG: 3030400 -9.11718 31.5101 -70.6585 31.5101 -44.6184 17.1871 -70.6585 17.187 6.97825 GPRESSAVG: 3030400 -6.88233 33.2784 -70.0205 30.251 -45.5753 16.5243 -72.2784 17.0365 6.14606 TIMING: 3030400 CPU: 8795.75, 0.00290632/step Wall: 8795.75, 0.00290632/step, 1.59008 hours remaining, 207.894531 MB of memory in use. ENERGY: 3030400 759.1254 2099.6208 1987.8272 112.5500 -206596.6254 18071.0811 0.0000 0.0000 34157.1280 -149409.2928 298.3027 -183566.4209 -149311.5191 298.3807 55.4431 87.6896 557617.3426 -15.5858 -15.4372 PRESSURE: 3030600 -107.31 12.6693 -73.2664 12.6701 367.823 -120.628 -73.2672 -120.627 27.4449 GPRESSURE: 3030600 -80.9901 105.823 -193.575 -1.41075 351.094 -73.9368 -16.7153 -184.88 85.9188 PRESSAVG: 3030600 0.470083 67.5619 -55.508 67.5619 -14.5063 -58.2564 -55.508 -58.2565 9.92897 GPRESSAVG: 3030600 -1.18933 65.4293 -56.1179 68.9089 -14.4198 -60.5669 -54.1652 -57.3501 10.6481 TIMING: 3030600 CPU: 8796.33, 0.00293027/step Wall: 8796.33, 0.00293027/step, 1.60302 hours remaining, 207.894531 MB of memory in use. ENERGY: 3030600 752.3286 2093.1091 1964.8213 118.4117 -206375.8654 17830.8034 0.0000 0.0000 34266.8781 -149349.5131 299.2612 -183616.3913 -149252.2701 298.2736 95.9861 118.6742 556608.8385 -1.3691 -1.6537 PRESSURE: 3030800 278.291 138.143 -121.079 138.143 33.3901 87.6295 -121.078 87.6309 24.6933 GPRESSURE: 3030800 336.976 108.405 -166.698 94.5072 99.9659 8.37944 -187.055 216.079 5.11027 PRESSAVG: 3030800 15.4858 52.2855 -15.4432 52.2855 -43.3063 -55.3495 -15.4432 -55.3494 18.687 GPRESSAVG: 3030800 16.262 52.5478 -14.3409 51.4695 -42.8474 -53.4444 -17.3012 -52.8332 17.5631 TIMING: 3030800 CPU: 8796.92, 0.0029193/step Wall: 8796.92, 0.00291929/step, 1.59685 hours remaining, 207.894531 MB of memory in use. ENERGY: 3030800 781.2047 2171.8782 1967.5438 123.7222 -206733.9562 18089.6673 0.0000 0.0000 34185.6283 -149414.3118 298.5516 -183599.9401 -149310.3139 298.8259 112.1247 147.3508 555878.4118 -3.0445 -3.0074 PRESSURE: 3031000 11.4382 119.871 179.013 119.871 -144.296 -46.0011 179.013 -45.9991 -409.914 GPRESSURE: 3031000 4.03898 87.5913 148.817 29.7746 -82.5428 25.8209 134.471 -42.1928 -373.492 PRESSAVG: 3031000 33.9826 22.8619 -16.6566 22.862 11.0983 -46.7781 -16.6565 -46.7782 -26.7488 GPRESSAVG: 3031000 33.9197 24.6546 -15.739 21.276 11.3512 -46.4907 -15.4789 -48.2587 -27.1526 TIMING: 3031000 CPU: 8797.5, 0.00290639/step Wall: 8797.5, 0.00290639/step, 1.58963 hours remaining, 207.894531 MB of memory in use. ENERGY: 3031000 750.0716 2090.5981 1938.6546 107.4438 -206119.4737 17619.5335 0.0000 0.0000 34307.4379 -149305.7343 299.6154 -183613.1721 -149211.2752 297.8640 -180.9238 -150.6652 558478.2080 6.1107 6.0394 PRESSURE: 3031200 57.6987 -66.0942 126.191 -66.0928 -287.506 -83.453 126.191 -83.4533 232.91 GPRESSURE: 3031200 112.829 -103.082 96.3247 -107.304 -246.311 -57.0249 179.236 -49.6073 238.507 PRESSAVG: 3031200 22.9837 -24.6895 -19.5607 -24.6895 -12.9693 9.47721 -19.5606 9.4772 55.338 GPRESSAVG: 3031200 22.9082 -26.2964 -21.0847 -24.4801 -13.6534 8.0501 -18.5177 9.52262 55.9263 TIMING: 3031200 CPU: 8798.08, 0.00293416/step Wall: 8798.08, 0.00293416/step, 1.60466 hours remaining, 207.894531 MB of memory in use. ENERGY: 3031200 772.7424 2130.5734 1952.0662 120.9160 -205943.6885 17717.5945 0.0000 0.0000 34162.8425 -149086.9534 298.3526 -183249.7959 -148992.9762 299.3916 1.0339 35.0082 557333.4153 21.7841 21.7270 PRESSURE: 3031400 -119.67 -209.742 -148.724 -209.742 -331.134 -58.6146 -148.724 -58.6139 -99.2455 GPRESSURE: 3031400 -41.1638 -222.426 -46.1202 -197.956 -338.818 -120.769 -105.361 6.60634 -77.3835 PRESSAVG: 3031400 -29.3798 -8.83498 -14.1472 -8.83496 19.1263 16.8893 -14.1472 16.8892 -31.8099 GPRESSAVG: 3031400 -29.0252 -8.80111 -13.5488 -7.21484 18.7721 18.4254 -15.8598 17.2387 -31.663 TIMING: 3031400 CPU: 8798.67, 0.00291733/step Wall: 8798.67, 0.00291733/step, 1.59529 hours remaining, 207.894531 MB of memory in use. ENERGY: 3031400 781.9629 2080.7349 1973.3900 97.9339 -205924.4234 17717.6058 0.0000 0.0000 34232.2064 -149040.5894 298.9584 -183272.7958 -148946.6118 299.0507 -183.3499 -152.4552 558491.2567 -14.0211 -13.9720 PRESSURE: 3031600 202.721 -159.382 -30.9051 -159.381 -15.6337 -11.2542 -30.9066 -11.2546 132.334 GPRESSURE: 3031600 194.591 -132.844 -53.6806 -54.2335 25.5756 -181.832 -30.6394 38.0188 195.926 PRESSAVG: 3031600 23.1649 -9.20896 -17.6725 -9.20895 -20.7796 -19.6139 -17.6726 -19.614 25.5657 GPRESSAVG: 3031600 22.4235 -10.5892 -17.3265 -7.32122 -19.7856 -20.3058 -17.0356 -20.5302 25.8198 TIMING: 3031600 CPU: 8799.25, 0.00290718/step Wall: 8799.25, 0.00290718/step, 1.58958 hours remaining, 207.894531 MB of memory in use. ENERGY: 3031600 731.2646 2088.2036 1944.5251 98.6169 -206518.3866 18011.3265 0.0000 0.0000 34429.5879 -149214.8619 300.6822 -183644.4498 -149110.0069 300.0923 106.4738 138.6978 557922.0928 9.3170 9.4859 PRESSURE: 3031800 -16.2562 -61.9423 -45.3551 -61.9431 -161.45 -16.6254 -45.3542 -16.6256 -157.727 GPRESSURE: 3031800 -53.6621 -50.8326 -2.96387 -98.54 -103.218 -142.385 -76.9257 58.2742 -77.0878 PRESSAVG: 3031800 15.2661 -15.7764 -21.4589 -15.7763 -50.3302 18.6046 -21.4588 18.6046 14.6393 GPRESSAVG: 3031800 16.8139 -14.8815 -22.7601 -16.5173 -50.8624 18.4715 -20.508 18.5375 14.2353 TIMING: 3031800 CPU: 8799.83, 0.00292912/step Wall: 8799.83, 0.00292912/step, 1.60142 hours remaining, 207.894531 MB of memory in use. ENERGY: 3031800 775.7297 2089.4764 1968.8827 101.2376 -205960.5094 17600.8930 0.0000 0.0000 34201.2932 -149222.9968 298.6884 -183424.2900 -149120.1537 299.6789 -111.8110 -77.9893 557646.6255 -6.8083 -6.6044 PRESSURE: 3032000 -66.0988 -107.816 -43.1508 -107.817 -114.295 62.4165 -43.1509 62.4156 -88.6188 GPRESSURE: 3032000 -3.96575 -74.7843 -74.1449 -130.966 -166.098 69.7185 -33.3252 110.309 2.4336 PRESSAVG: 3032000 28.3727 26.8043 4.14565 26.8043 -7.22745 -1.87569 4.14559 -1.87584 18.2314 GPRESSAVG: 3032000 27.8177 28.0399 3.17514 23.3042 -6.15831 -2.6355 5.50871 -1.09749 18.2114 TIMING: 3032000 CPU: 8800.42, 0.00291103/step Wall: 8800.42, 0.00291103/step, 1.59136 hours remaining, 207.894531 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: 3032000 764.3198 2081.3776 1966.1021 105.5854 -206221.1596 17837.7261 0.0000 0.0000 34265.2955 -149200.7531 299.2473 -183466.0486 -149099.0887 299.3330 -89.6710 -55.8768 558198.0724 13.1255 13.2903 PRESSURE: 3032200 -142.752 -75.896 114.894 -75.8965 -166.908 -32.6894 114.894 -32.6881 164.021 GPRESSURE: 3032200 -64.72 8.17521 52.5723 -84.8844 -188.136 -69.0673 186.52 -11.26 205.614 PRESSAVG: 3032200 4.01275 -18.7776 15.7629 -18.7777 2.02984 44.843 15.7629 44.8431 8.82662 GPRESSAVG: 3032200 4.57736 -17.9008 19.2453 -16.5921 1.1548 44.1176 12.2386 44.6363 9.33022 TIMING: 3032200 CPU: 8801, 0.00291459/step Wall: 8801, 0.00291459/step, 1.59315 hours remaining, 207.960938 MB of memory in use. ENERGY: 3032200 752.3604 2093.1199 1974.1514 111.3923 -205989.6899 17697.5113 0.0000 0.0000 34224.2664 -149136.8882 298.8890 -183361.1546 -149045.4728 299.6007 -48.5463 -15.7473 557794.6033 4.9564 5.0208 LDB: ============= START OF LOAD BALANCING ============== 8804.46 LDB: ============== END OF LOAD BALANCING =============== 8804.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8804.47 LDB: ============= START OF LOAD BALANCING ============== 8804.76 LDB: Largest compute 4848 load 0.028276 is 24.0% of average load 0.117787 LDB: Average compute 0.001706 is 1.4% of average load 0.117787 LDB: TIME 8804.76 LOAD: AVG 0.117787 MAX 0.180223 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 8804.76 LOAD: AVG 0.117787 MAX 0.180223 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: TIME 8804.76 LOAD: AVG 0.117787 MAX 0.180223 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.051 MB LDB: ============== END OF LOAD BALANCING =============== 8804.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8804.77 PRESSURE: 3032400 54.3472 103.887 -37.4776 103.888 -43.976 -133.352 -37.4771 -133.354 119.499 GPRESSURE: 3032400 97.9202 123.995 -53.3488 67.7476 -20.5338 -149.11 -37.9462 -123.326 148.016 PRESSAVG: 3032400 13.746 21.2017 5.93525 21.2016 -2.38455 -52.6983 5.93534 -52.6982 26.1602 GPRESSAVG: 3032400 13.2104 20.7437 4.25468 22.956 -1.94834 -48.2058 5.92618 -55.4445 25.9044 TIMING: 3032400 CPU: 8801.59, 0.00296607/step Wall: 8801.59, 0.00296607/step, 1.62112 hours remaining, 207.433594 MB of memory in use. ENERGY: 3032400 774.5594 2077.2341 1936.7969 125.2878 -206483.4492 17923.7357 0.0000 0.0000 34292.9143 -149352.9210 299.4885 -183645.8353 -149252.3271 299.5829 43.2899 75.1342 556562.7844 12.5072 12.3888 PRESSURE: 3032600 -48.8833 -23.6202 -227.912 -23.6205 -189.074 72.1957 -227.913 72.1965 -263.776 GPRESSURE: 3032600 -13.4659 2.31618 -185.636 -71.89 -176.944 87.6483 -195.128 99.1239 -203.377 PRESSAVG: 3032600 20.1981 -21.7716 -17.2569 -21.7716 -9.02651 -20.2707 -17.257 -20.2707 -13.6284 GPRESSAVG: 3032600 20.718 -22.5331 -16.1455 -23.1383 -9.90004 -22.8663 -16.9352 -18.7821 -13.3267 TIMING: 3032600 CPU: 8802.18, 0.00291744/step Wall: 8802.18, 0.00291743/step, 1.59438 hours remaining, 207.433594 MB of memory in use. ENERGY: 3032600 771.6994 2119.3682 1934.9423 117.2911 -206237.9754 17703.0870 0.0000 0.0000 34209.3681 -149382.2192 298.7589 -183591.5873 -149287.6279 298.9491 -167.2443 -131.2622 557119.3487 -0.8189 -0.8363 PRESSURE: 3032800 80.131 57.5942 -99.6938 57.5969 245.177 -6.11841 -99.6942 -6.12113 98.7853 GPRESSURE: 3032800 116.657 -2.55108 -69.7004 126.521 291.973 2.45839 -46.1555 24.8449 115.294 PRESSAVG: 3032800 56.9756 -4.15833 -13.8967 -4.15831 -30.8986 0.0797611 -13.8966 0.0797407 -17.0025 GPRESSAVG: 3032800 57.4965 -5.43743 -16.3502 -2.49965 -29.4802 0.424996 -13.4209 2.16984 -18.8325 TIMING: 3032800 CPU: 8802.75, 0.00288733/step Wall: 8802.75, 0.00288733/step, 1.57776 hours remaining, 207.433594 MB of memory in use. ENERGY: 3032800 753.6164 2112.6931 1935.9675 109.7564 -206784.4447 18307.1352 0.0000 0.0000 34149.8290 -149415.4470 298.2390 -183565.2760 -149331.6659 298.4733 141.3645 174.6415 557362.3055 3.0248 3.0613 PRESSURE: 3033000 -264.151 -26.603 69.3983 -26.6026 37.6567 -28.8426 69.3994 -28.8412 -362.254 GPRESSURE: 3033000 -279.51 -94.2851 110.028 24.797 105.296 -37.1145 34.427 53.9491 -311.95 PRESSAVG: 3033000 10.851 -13.4537 -4.00416 -13.4537 -26.4023 -0.661543 -4.00408 -0.661469 0.0291581 GPRESSAVG: 3033000 9.58065 -11.0318 -3.84234 -13.7651 -25.4566 -0.731577 -3.02569 -3.08471 0.839332 TIMING: 3033000 CPU: 8803.33, 0.00288971/step Wall: 8803.33, 0.00288971/step, 1.5789 hours remaining, 207.433594 MB of memory in use. ENERGY: 3033000 734.6393 2108.4052 1948.9043 113.5382 -206087.3908 17504.0564 0.0000 0.0000 34167.3865 -149510.4609 298.3923 -183677.8474 -149413.9261 297.9197 -196.2494 -162.0546 555797.4694 -5.1740 -5.0122 PRESSURE: 3033200 41.0133 -130.033 -82.0143 -130.034 -103.271 -22.499 -82.0138 -22.5004 -5.66914 GPRESSURE: 3033200 38.1971 -79.3649 -40.2923 -133.193 -40.7106 -2.28107 -109.481 1.85481 22.231 PRESSAVG: 3033200 21.183 -6.1922 -6.69185 -6.19216 -94.8691 -0.0501777 -6.69191 -0.0501863 20.0403 GPRESSAVG: 3033200 22.7962 -7.65113 -4.70041 -6.05245 -96.9248 0.216648 -8.6548 1.83536 20.3359 TIMING: 3033200 CPU: 8803.91, 0.00289459/step Wall: 8803.91, 0.00289459/step, 1.58141 hours remaining, 207.433594 MB of memory in use. ENERGY: 3033200 748.1457 2087.4964 1965.0251 120.6021 -206442.2337 17989.1472 0.0000 0.0000 34224.5844 -149307.2328 298.8918 -183531.8172 -149209.6717 298.3576 -22.6424 6.5725 557480.4691 -17.8819 -17.9309 PRESSURE: 3033400 149.203 19.8094 -111.755 19.8106 97.0472 144.904 -111.755 144.902 -203.108 GPRESSURE: 3033400 147.079 24.3996 -86.6225 27.993 102.238 163.671 -91.5344 161.309 -111.564 PRESSAVG: 3033400 50.1488 8.37032 33.1345 8.37041 -16.2211 -0.230391 33.1345 -0.230335 19.9867 GPRESSAVG: 3033400 50.7546 10.5656 33.0401 6.33493 -17.2043 0.49319 32.7679 -2.79558 20.0293 TIMING: 3033400 CPU: 8804.49, 0.00289978/step Wall: 8804.49, 0.00289978/step, 1.58408 hours remaining, 207.433594 MB of memory in use. ENERGY: 3033400 758.5823 2073.2656 1956.0329 106.1448 -206299.9692 17786.8894 0.0000 0.0000 34330.4643 -149288.5898 299.8165 -183619.0541 -149188.5234 298.2996 14.3808 45.9174 557064.6875 17.9714 17.8599 PRESSURE: 3033600 254.864 49.8707 159.626 49.8712 111.652 -196.55 159.626 -196.551 96.5799 GPRESSURE: 3033600 287.824 64.4471 102.714 -45.7447 171.067 -214.631 126.332 -189.979 98.1933 PRESSAVG: 3033600 -6.22336 25.9757 -42.4254 25.9757 -4.83703 -47.0323 -42.4254 -47.0324 30.6547 GPRESSAVG: 3033600 -6.22717 22.5781 -41.6946 28.8438 -4.3601 -47.4514 -41.2198 -44.2498 30.3834 TIMING: 3033600 CPU: 8805.07, 0.00291495/step Wall: 8805.07, 0.00291495/step, 1.59221 hours remaining, 207.433594 MB of memory in use. ENERGY: 3033600 724.4014 2038.8282 1951.6955 122.6029 -206179.5277 17698.2706 0.0000 0.0000 34272.7561 -149370.9731 299.3125 -183643.7291 -149266.2296 298.8157 154.3652 185.6946 556259.6422 6.5314 6.5987 PRESSURE: 3033800 136.056 -1.67218 91.5263 -1.67323 91.5235 -1.88434 91.527 -1.88447 12.4776 GPRESSURE: 3033800 187.809 5.6669 106.177 -7.72816 62.3751 67.8059 109.904 9.0947 103.136 PRESSAVG: 3033800 0.373823 -1.80675 27.8998 -1.80673 48.4054 -40.859 27.8999 -40.8591 -30.7385 GPRESSAVG: 3033800 0.738348 -1.39432 26.455 -4.11729 48.7323 -39.6345 28.5904 -42.6224 -31.6391 TIMING: 3033800 CPU: 8805.66, 0.00292725/step Wall: 8805.66, 0.00292725/step, 1.59876 hours remaining, 207.433594 MB of memory in use. ENERGY: 3033800 720.9183 2075.9426 1945.5284 112.8352 -206420.3182 18053.6491 0.0000 0.0000 34228.6003 -149282.8442 298.9269 -183511.4445 -149185.2821 298.9125 80.0191 117.7735 557732.1407 6.0136 5.9438 PRESSURE: 3034000 22.7654 -41.0106 27.9556 -41.0112 -199.156 -69.479 27.9545 -69.4791 -213.539 GPRESSURE: 3034000 -16.9525 -40.5058 -15.2591 -62.7755 -148.89 -107.661 14.7393 -87.4056 -135.427 PRESSAVG: 3034000 -47.7328 -32.0981 23.2121 -32.0982 62.7424 10.9978 23.2121 10.9977 -47.1457 GPRESSAVG: 3034000 -48.1854 -31.8861 25.5904 -29.2434 62.2589 9.21559 20.7045 11.7676 -46.2344 TIMING: 3034000 CPU: 8806.24, 0.00291423/step Wall: 8806.24, 0.00291422/step, 1.59149 hours remaining, 207.433594 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: 3034000 738.4394 2142.7605 1943.0125 105.6342 -206003.4111 17623.9224 0.0000 0.0000 34278.6521 -149170.9899 299.3640 -183449.6420 -149079.2280 298.9991 -129.9765 -100.4231 558743.2771 -10.7120 -10.7203 PRESSURE: 3034200 111.097 -20.6963 -13.178 -20.6958 -41.6948 63.2381 -13.1775 63.2389 -109.406 GPRESSURE: 3034200 122.642 21.6739 -9.05291 -12.8954 11.9795 63.2012 -15.0966 35.8071 -75.9592 PRESSAVG: 3034200 46.7322 -92.5589 22.4086 -92.5588 10.4442 -1.88884 22.4087 -1.88888 -33.6739 GPRESSAVG: 3034200 45.7321 -91.0436 22.4645 -94.5624 11.6246 -1.59967 23.3275 -2.48029 -33.9145 TIMING: 3034200 CPU: 8806.82, 0.00291644/step Wall: 8806.82, 0.00291644/step, 1.59254 hours remaining, 207.433594 MB of memory in use. ENERGY: 3034200 726.3769 2119.7052 1956.2095 112.2598 -206137.6980 17754.9408 0.0000 0.0000 34246.3211 -149221.8847 299.0816 -183468.2058 -149128.0911 299.1098 -13.3346 19.5542 558176.5993 7.8342 7.8141 PRESSURE: 3034400 -276.508 219.809 120.639 219.809 -24.8822 31.3035 120.639 31.3043 -236.467 GPRESSURE: 3034400 -281.214 274.183 51.2178 148.745 11.9505 -9.45909 131.974 79.6777 -168.173 PRESSAVG: 3034400 25.5782 22.8957 51.0581 22.8957 0.406788 26.7585 51.0581 26.7586 -51.9495 GPRESSAVG: 3034400 24.9343 23.3611 49.1975 22.4462 0.559131 26.1019 52.9363 27.6173 -51.4368 TIMING: 3034400 CPU: 8807.41, 0.00291126/step Wall: 8807.41, 0.00291126/step, 1.58955 hours remaining, 207.562500 MB of memory in use. ENERGY: 3034400 764.8991 2098.4549 1960.0364 135.0823 -205729.9735 17514.5596 0.0000 0.0000 34133.5080 -149123.4332 298.0964 -183256.9412 -149024.8573 299.0734 -179.2855 -145.8123 559459.7321 -8.6549 -8.6478 PRESSURE: 3034600 139.365 -123.078 -83.7761 -123.078 -25.4146 41.6773 -83.7767 41.6791 37.0239 GPRESSURE: 3034600 143.359 -105.925 -70.8911 -52.946 -53.0794 52.4442 -119.252 4.807 149.145 PRESSAVG: 3034600 8.99893 -14.8964 -45.6827 -14.8964 -2.73145 11.4094 -45.6828 11.4094 10.5303 GPRESSAVG: 3034600 11.6771 -18.703 -45.286 -15.7056 -3.98186 13.0453 -46.9848 11.4259 8.83444 TIMING: 3034600 CPU: 8807.99, 0.00291161/step Wall: 8807.99, 0.00291161/step, 1.58958 hours remaining, 207.734375 MB of memory in use. ENERGY: 3034600 730.9621 2104.1362 1941.4128 123.4689 -206242.0708 17816.4683 0.0000 0.0000 34408.1474 -149117.4751 300.4949 -183525.6225 -149021.7616 299.3885 50.3246 79.8081 556856.7016 5.5993 5.5099 PRESSURE: 3034800 -71.7749 55.8033 -69.6353 55.8029 -382.112 66.0138 -69.6362 66.0135 -192.177 GPRESSURE: 3034800 -79.9673 43.9178 -94.2882 55.3223 -381.313 98.0782 -45.8715 82.088 -82.9305 PRESSAVG: 3034800 25.9197 -16.2443 24.027 -16.2444 -30.7228 30.8863 24.0271 30.8864 60.6803 GPRESSAVG: 3034800 25.2558 -14.2512 24.0859 -12.5421 -31.3152 31.5211 24.5813 29.4741 62.3934 TIMING: 3034800 CPU: 8808.57, 0.00291221/step Wall: 8808.57, 0.00291221/step, 1.58974 hours remaining, 207.734375 MB of memory in use. ENERGY: 3034800 732.0090 2073.8658 1944.0111 115.9839 -205896.8327 17638.0437 0.0000 0.0000 34322.9537 -149069.9655 299.7509 -183392.9192 -148975.7519 300.3289 -215.3546 -181.4035 557981.0289 18.6257 18.7780 PRESSURE: 3035000 -127.828 35.7701 101.507 35.7692 45.6952 20.5753 101.505 20.5761 -26.3301 GPRESSURE: 3035000 -39.9116 -98.1344 77.8209 95.9464 40.2539 -20.9443 27.5223 -9.49183 -12.2631 PRESSAVG: 3035000 -16.2862 -1.20338 -15.2761 -1.20336 -17.6925 -32.7383 -15.276 -32.7383 40.7401 GPRESSAVG: 3035000 -16.7887 -0.585389 -14.1831 -4.43836 -16.3438 -35.252 -15.7734 -30.7709 40.2117 TIMING: 3035000 CPU: 8809.15, 0.002896/step Wall: 8809.15, 0.002896/step, 1.58073 hours remaining, 207.734375 MB of memory in use. ENERGY: 3035000 735.0495 2156.2478 1924.8596 116.7525 -205936.0492 17772.1859 0.0000 0.0000 34176.5422 -149054.4118 298.4722 -183230.9539 -148965.1885 299.5983 -36.1544 -3.9736 557509.4762 2.2538 2.3597 PRESSURE: 3035200 -318.091 18.719 -64.1537 18.7184 -130.678 136.331 -64.153 136.331 -230.647 GPRESSURE: 3035200 -288.018 87.6131 -89.5572 -131.362 -146.909 156.111 -23.0085 128.909 -154.089 PRESSAVG: 3035200 4.77459 -74.2371 -89.6462 -74.2371 11.448 -84.1705 -89.6462 -84.1705 21.7079 GPRESSAVG: 3035200 4.97895 -75.0923 -89.5714 -73.814 11.3674 -83.8857 -89.0235 -84.8475 21.4265 TIMING: 3035200 CPU: 8809.72, 0.00286483/step Wall: 8809.72, 0.00286483/step, 1.56356 hours remaining, 207.734375 MB of memory in use. ENERGY: 3035200 755.2392 2069.8056 1960.0395 104.2856 -205844.9332 17637.7741 0.0000 0.0000 34215.2671 -149102.5222 298.8104 -183317.7893 -148999.1334 299.4695 -226.4723 -196.3385 557943.1903 12.6435 12.5909 PRESSURE: 3035400 -104.347 14.4847 -14.5206 14.4845 -129.794 105.175 -14.5208 105.175 219.246 GPRESSURE: 3035400 -123.526 74.8022 -82.002 17.966 -129.286 88.7289 14.6017 109.229 328.426 PRESSAVG: 3035400 -59.3157 -28.9681 -35.1987 -28.9681 18.586 19.9218 -35.1985 19.9219 86.5382 GPRESSAVG: 3035400 -59.4035 -28.1837 -35.3192 -28.81 18.6245 22.2694 -35.5514 20.2392 86.714 TIMING: 3035400 CPU: 8810.3, 0.00288245/step Wall: 8810.3, 0.00288245/step, 1.57302 hours remaining, 207.734375 MB of memory in use. ENERGY: 3035400 738.4779 2100.3085 2008.4211 112.7559 -206157.1748 17795.0702 0.0000 0.0000 34060.1454 -149341.9958 297.4557 -183402.1411 -149244.7064 298.6889 -4.9647 25.2047 556844.4921 15.2695 15.3116 PRESSURE: 3035600 117.894 35.0364 -47.8472 35.0369 -62.2576 14.3829 -47.8473 14.3817 -276.47 GPRESSURE: 3035600 143.463 102.629 -99.6906 48.3126 -58.143 18.3961 44.4509 5.02272 -190.915 PRESSAVG: 3035600 -3.61865 41.2781 -39.5687 41.2781 51.9035 47.2221 -39.5688 47.2219 -50.8047 GPRESSAVG: 3035600 -3.63882 41.8336 -39.0496 41.3536 53.0169 46.8011 -39.1432 48.374 -51.3281 TIMING: 3035600 CPU: 8810.88, 0.00290098/step Wall: 8810.88, 0.00290098/step, 1.58297 hours remaining, 207.734375 MB of memory in use. ENERGY: 3035600 733.2684 2040.9433 1978.5568 108.2469 -205960.7658 17602.3027 0.0000 0.0000 34112.7066 -149384.7411 297.9148 -183497.4477 -149289.6155 298.4456 -73.6113 -35.1982 557468.4535 -0.8400 -0.6500 PRESSURE: 3035800 -202.378 136.802 161.357 136.804 -116.32 18.04 161.357 18.0402 -123.222 GPRESSURE: 3035800 -207.653 143.635 153.402 105.146 -43.5281 50.4223 198.824 16.9628 -87.6545 PRESSAVG: 3035800 69.1804 62.0624 -23.9466 62.0623 -14.4317 -4.5753 -23.9467 -4.57524 -55.7151 GPRESSAVG: 3035800 69.0104 64.2501 -25.2245 60.9773 -15.3422 -5.65547 -23.3871 -4.7271 -54.1329 TIMING: 3035800 CPU: 8811.46, 0.00291584/step Wall: 8811.46, 0.00291584/step, 1.59091 hours remaining, 207.734375 MB of memory in use. ENERGY: 3035800 745.5919 2090.5696 1988.5839 125.2679 -205945.2139 17575.8238 0.0000 0.0000 34103.4793 -149315.8974 297.8342 -183419.3767 -149217.6954 298.6566 -147.3064 -112.9452 557418.1510 -0.3221 -0.1549 PRESSURE: 3036000 -154.808 -106.144 -100.303 -106.144 -67.0676 26.2907 -100.303 26.2905 13.3584 GPRESSURE: 3036000 -82.8399 -174.211 -154.978 -136.092 -64.3244 29.9318 -97.377 19.3971 38.1723 PRESSAVG: 3036000 -23.394 25.5934 -25.6724 25.5933 64.8512 10.6177 -25.6723 10.6178 -62.755 GPRESSAVG: 3036000 -22.2114 24.9452 -23.684 26.2314 65.1054 11.6339 -28.4902 10.4427 -64.3196 TIMING: 3036000 CPU: 8812.05, 0.00292254/step Wall: 8812.05, 0.00292254/step, 1.59441 hours remaining, 207.734375 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: 3036000 725.2611 2139.6319 1969.0295 105.9294 -205995.9544 17716.4544 0.0000 0.0000 33989.6344 -149350.0138 296.8399 -183339.6481 -149253.3531 298.5938 -69.5056 -36.3307 558445.5989 -7.0992 -7.1419 PRESSURE: 3036200 25.3642 8.147 -164.468 8.14669 -163.652 41.0412 -164.468 41.041 -158.617 GPRESSURE: 3036200 29.5047 12.5034 -208.71 3.46435 -94.6082 9.33168 -63.9669 115.987 -134.313 PRESSAVG: 3036200 68.2192 -8.76412 -44.2277 -8.7641 -8.10162 -7.0901 -44.2277 -7.08999 -13.4957 GPRESSAVG: 3036200 67.9203 -9.36709 -45.4118 -7.58058 -8.02879 -9.12685 -40.2122 -5.47914 -13.3909 TIMING: 3036200 CPU: 8812.63, 0.00293265/step Wall: 8812.63, 0.00293265/step, 1.59976 hours remaining, 207.734375 MB of memory in use. ENERGY: 3036200 775.4559 2027.1813 1990.1103 126.4708 -206281.3779 17849.3068 0.0000 0.0000 34257.3729 -149255.4798 299.1782 -183512.8528 -149157.8851 298.8474 -98.9681 -66.4723 557772.2737 15.5406 15.5002 LDB: ============= START OF LOAD BALANCING ============== 8816.1 LDB: ============== END OF LOAD BALANCING =============== 8816.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8816.11 LDB: ============= START OF LOAD BALANCING ============== 8816.4 LDB: Largest compute 4821 load 0.028575 is 24.3% of average load 0.117820 LDB: Average compute 0.001703 is 1.4% of average load 0.117820 LDB: TIME 8816.4 LOAD: AVG 0.11782 MAX 0.178237 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 8816.4 LOAD: AVG 0.11782 MAX 0.178237 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 8816.4 LOAD: AVG 0.11782 MAX 0.178237 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: ============== END OF LOAD BALANCING =============== 8816.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8816.41 PRESSURE: 3036400 -87.0153 -113.791 -79.306 -113.791 -259.05 45.6439 -79.3042 45.6454 147.784 GPRESSURE: 3036400 -79.7174 -99.2179 -36.9852 -167.126 -160.695 -7.0581 -56.9667 75.7452 141.015 PRESSAVG: 3036400 -29.7903 -33.3015 -69.5008 -33.3014 -10.2747 -22.5949 -69.5008 -22.5949 24.3809 GPRESSAVG: 3036400 -30.074 -34.6468 -68.0425 -35.2376 -10.113 -23.0685 -72.9864 -23.5482 24.7415 TIMING: 3036400 CPU: 8813.23, 0.00298242/step Wall: 8813.23, 0.00298242/step, 1.62675 hours remaining, 205.632812 MB of memory in use. ENERGY: 3036400 750.3289 2103.4597 1953.9134 113.7066 -206221.4386 17707.0497 0.0000 0.0000 34257.0378 -149335.9425 299.1752 -183592.9803 -149233.8857 299.2435 -66.0938 -33.1322 557297.6736 -5.2280 -5.1485 PRESSURE: 3036600 240.204 -13.3168 18.1316 -13.3165 94.1124 -14.1472 18.1318 -14.1483 -101.389 GPRESSURE: 3036600 302.111 -27.9115 40.9673 -16.7432 125.992 21.7464 -16.867 -25.4953 -100.101 PRESSAVG: 3036600 56.6679 -6.59868 -4.50201 -6.5987 14.3419 -20.6247 -4.50202 -20.6247 -63.5627 GPRESSAVG: 3036600 57.737 -7.5176 -5.2333 -5.60721 13.511 -18.7592 -3.50913 -20.493 -63.5856 TIMING: 3036600 CPU: 8813.82, 0.00293165/step Wall: 8813.82, 0.00293165/step, 1.59889 hours remaining, 206.093750 MB of memory in use. ENERGY: 3036600 730.0888 2096.8343 1980.0703 116.8273 -206603.3565 17936.8776 0.0000 0.0000 34250.1385 -149492.5196 299.1150 -183742.6582 -149400.7463 298.4693 77.6425 109.3339 556432.8810 2.4823 2.5541 PRESSURE: 3036800 -286.947 -114.247 107.6 -114.248 22.2157 2.72062 107.6 2.71899 -312.241 GPRESSURE: 3036800 -191.807 -26.4183 129.233 -121.917 -26.9606 -0.00955646 54.479 69.6174 -262.308 PRESSAVG: 3036800 -6.9287 -41.2326 56.1641 -41.2325 7.98482 -15.977 56.1641 -15.9769 -54.3229 GPRESSAVG: 3036800 -7.83763 -40.9724 55.6481 -40.834 7.82773 -15.9189 56.9335 -16.9356 -53.5876 TIMING: 3036800 CPU: 8814.4, 0.00291016/step Wall: 8814.4, 0.00291017/step, 1.58701 hours remaining, 206.093750 MB of memory in use. ENERGY: 3036800 783.5191 2116.2150 1952.7009 114.3060 -206346.3590 17678.7903 0.0000 0.0000 34171.5633 -149529.2643 298.4288 -183700.8276 -149430.2192 297.8069 -192.3240 -160.3583 557758.6733 -17.7556 -17.8658 PRESSURE: 3037000 -20.6977 117.626 46.7918 117.626 142.312 -120.325 46.7917 -120.326 90.5261 GPRESSURE: 3037000 38.1827 69.5558 10.2755 144.595 147.061 -150.826 54.711 -25.2119 128.186 PRESSAVG: 3037000 51.0615 54.5667 2.92994 54.5667 -0.0182394 20.6861 2.93005 20.6862 -3.3321 GPRESSAVG: 3037000 50.8167 54.758 5.31666 55.6716 -0.250982 19.7193 0.0578144 23.2436 -2.75658 TIMING: 3037000 CPU: 8814.98, 0.00291109/step Wall: 8814.98, 0.00291109/step, 1.58735 hours remaining, 206.093750 MB of memory in use. ENERGY: 3037000 786.2541 2091.7778 1972.4112 121.3054 -206445.4263 17870.8701 0.0000 0.0000 34145.6074 -149457.2003 298.2021 -183602.8077 -149361.1344 298.3719 70.7136 104.4765 555837.5350 15.9037 15.9364 PRESSURE: 3037200 281.945 168.924 -114.481 168.923 139.577 278.357 -114.48 278.357 91.9238 GPRESSURE: 3037200 296.698 185.432 -62.0878 106.808 149.346 229.421 -154.182 278.386 156.594 PRESSAVG: 3037200 9.20527 18.4565 -9.18286 18.4565 -26.0537 -51.6939 -9.1828 -51.6938 92.6173 GPRESSAVG: 3037200 10.994 17.7638 -11.6959 16.7624 -25.6922 -50.4845 -8.29464 -54.0018 90.8341 TIMING: 3037200 CPU: 8815.56, 0.0028909/step Wall: 8815.56, 0.0028909/step, 1.57618 hours remaining, 206.093750 MB of memory in use. ENERGY: 3037200 770.1391 2100.3313 1994.8553 109.8612 -206811.9325 18179.9350 0.0000 0.0000 34147.7105 -149509.1001 298.2204 -183656.8106 -149420.9118 298.7631 171.1487 200.8794 556546.3051 25.2563 25.3786 PRESSURE: 3037400 108.441 -96.5603 91.2909 -96.5607 -61.2805 -14.9007 91.2918 -14.9016 70.2554 GPRESSURE: 3037400 175.53 -18.8367 94.4205 -130.302 -36.053 -2.17328 165.178 -57.3198 73.4535 PRESSAVG: 3037400 29.6635 31.6241 35 31.6241 -11.3718 33.1483 35 33.1482 -14.0978 GPRESSAVG: 3037400 27.683 32.2513 33.5401 35.0059 -12.2933 33.0151 37.2531 33.5558 -10.9255 TIMING: 3037400 CPU: 8816.15, 0.00292875/step Wall: 8816.15, 0.00292875/step, 1.59666 hours remaining, 206.093750 MB of memory in use. ENERGY: 3037400 712.0802 2120.8114 1948.3703 113.3668 -206375.5996 17790.3467 0.0000 0.0000 34277.6725 -149412.9517 299.3554 -183690.6243 -149306.2695 298.0333 39.1386 70.9767 557200.9527 1.3980 1.4881 PRESSURE: 3037600 -50.743 -102.571 -54.1564 -102.572 -107.459 2.74321 -54.1563 2.74494 -268.455 GPRESSURE: 3037600 -20.9981 -173.448 -46.2801 -63.511 -103.947 -56.6365 -69.6189 47.2634 -201.916 PRESSAVG: 3037600 8.38293 -44.3398 31.7349 -44.3398 -5.90848 8.47637 31.7349 8.47644 -58.6883 GPRESSAVG: 3037600 6.9396 -43.3946 33.9876 -46.6439 -3.45538 8.30496 28.1926 9.09283 -59.0941 TIMING: 3037600 CPU: 8816.74, 0.0029528/step Wall: 8816.74, 0.0029528/step, 1.6096 hours remaining, 206.093750 MB of memory in use. ENERGY: 3037600 722.1017 2093.5989 1941.8530 113.7594 -206310.3177 17787.7837 0.0000 0.0000 34174.9892 -149476.2318 298.4587 -183651.2210 -149379.2089 297.7818 -142.2189 -108.9539 557811.8276 -18.7380 -18.5366 PRESSURE: 3037800 -24.2507 84.1245 -89.4556 84.1258 34.4702 69.8436 -89.456 69.8447 -120.376 GPRESSURE: 3037800 21.8006 93.5192 -143.226 162.233 92.1282 44.8835 -82.6453 12.2397 -131.895 PRESSAVG: 3037800 47.5735 -29.1417 1.58815 -29.1417 39.0269 0.797089 1.58805 0.797146 -49.067 GPRESSAVG: 3037800 49.9163 -29.3119 0.206815 -29.1987 38.8517 2.0015 4.97127 1.67863 -51.0881 TIMING: 3037800 CPU: 8817.32, 0.00292209/step Wall: 8817.32, 0.00292209/step, 1.5927 hours remaining, 206.093750 MB of memory in use. ENERGY: 3037800 763.6889 2170.6348 1928.2023 107.7614 -206310.2037 17866.8912 0.0000 0.0000 34008.3262 -149464.6989 297.0032 -183473.0251 -149374.5688 298.1706 -36.7187 -5.9888 556783.0864 12.5111 12.5600 PRESSURE: 3038000 -13.8365 110.542 -4.83986 110.542 -24.9022 -156.018 -4.83834 -156.018 36.3379 GPRESSURE: 3038000 6.93766 159.345 -23.5818 43.3466 27.344 -148.104 70.662 -149.795 68.3569 PRESSAVG: 3038000 20.565 4.45867 -5.62888 4.45863 14.0517 -9.32909 -5.62891 -9.32908 -56.233 GPRESSAVG: 3038000 19.6788 2.36887 -5.46642 4.42927 13.7631 -10.0008 -6.30563 -11.5377 -55.1226 TIMING: 3038000 CPU: 8817.9, 0.00291419/step Wall: 8817.9, 0.00291419/step, 1.58823 hours remaining, 206.093750 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: 3038000 776.3736 2154.7513 1955.9012 116.6122 -206616.3488 17913.5515 0.0000 0.0000 34250.6981 -149448.4608 299.1199 -183699.1589 -149342.4585 298.7949 -0.8003 34.2129 556447.7802 -7.2054 -7.2269 PRESSURE: 3038200 -259.419 -145.632 98.7747 -145.632 48.9576 21.2686 98.7726 21.2707 40.7563 GPRESSURE: 3038200 -197.403 -163.348 125.232 -249.912 85.4463 56.0337 82.3986 10.7773 25.4973 PRESSAVG: 3038200 -17.5121 1.70625 30.541 1.70627 -67.5354 21.8062 30.5409 21.8063 119.025 GPRESSAVG: 3038200 -16.1194 3.3452 29.6519 2.0558 -68.2121 21.5696 31.6742 23.3358 118.259 TIMING: 3038200 CPU: 8818.49, 0.00292413/step Wall: 8818.49, 0.00292413/step, 1.59349 hours remaining, 206.093750 MB of memory in use. ENERGY: 3038200 720.8289 2093.6015 1954.7686 105.9143 -206098.2816 17693.1698 0.0000 0.0000 34022.8740 -149507.1245 297.1302 -183529.9985 -149414.7597 298.5396 -56.5682 -28.8197 557012.0392 11.3259 11.3090 PRESSURE: 3038400 34.0761 94.2246 -39.9651 94.224 -18.1928 107.543 -39.9651 107.54 -172.384 GPRESSURE: 3038400 71.6832 114.977 -34.8385 103.694 44.3861 65.9808 -132.786 104.53 -175.933 PRESSAVG: 3038400 -14.6972 44.6242 -0.163948 44.6242 60.0918 45.3753 -0.16394 45.3754 -12.6608 GPRESSAVG: 3038400 -16.016 45.3218 2.56704 43.9513 60.1692 44.7613 -2.01643 45.8142 -11.3692 TIMING: 3038400 CPU: 8819.07, 0.00291322/step Wall: 8819.07, 0.00291322/step, 1.58738 hours remaining, 206.093750 MB of memory in use. ENERGY: 3038400 728.5212 2120.2991 1954.1669 116.5752 -206361.8131 17722.7875 0.0000 0.0000 34184.1926 -149535.2707 298.5391 -183719.4632 -149441.8986 298.5281 -52.1669 -19.9547 556323.7457 10.9113 10.9280 PRESSURE: 3038600 61.4578 -6.48473 -78.0799 -6.48371 -200.805 4.70294 -78.0801 4.70171 79.132 GPRESSURE: 3038600 61.6172 29.1894 -116.062 31.8234 -168.66 20.6564 -86.0867 25.1908 144.685 PRESSAVG: 3038600 7.49255 -3.51335 16.8378 -3.5134 -36.601 18.8649 16.8378 18.8649 16.4724 GPRESSAVG: 3038600 8.12841 -2.13151 15.627 -5.06691 -35.7153 23.403 16.9482 15.2644 15.487 TIMING: 3038600 CPU: 8819.66, 0.00292496/step Wall: 8819.66, 0.00292496/step, 1.59362 hours remaining, 206.093750 MB of memory in use. ENERGY: 3038600 732.7164 2136.5088 1943.0718 122.2224 -206351.6275 17834.7589 0.0000 0.0000 34180.5701 -149401.7792 298.5074 -183582.3493 -149299.2579 298.0609 -20.0718 12.5476 557552.5723 -4.2120 -4.0333 PRESSURE: 3038800 -81.2129 -81.0713 -116.065 -81.0705 110.323 140.254 -116.065 140.254 210.328 GPRESSURE: 3038800 -38.53 -147.638 -198.734 -42.195 92.6307 84.2708 -119.405 118.962 280.363 PRESSAVG: 3038800 36.3159 -13.409 25.301 -13.4091 -61.4994 19.8534 25.3011 19.8532 -15.4196 GPRESSAVG: 3038800 36.1709 -13.6361 24.7002 -10.2355 -62.0568 16.3168 25.2351 24.2718 -14.8156 TIMING: 3038800 CPU: 8820.24, 0.00290707/step Wall: 8820.24, 0.00290707/step, 1.58371 hours remaining, 206.093750 MB of memory in use. ENERGY: 3038800 748.3154 2114.2520 1961.8115 117.3841 -206360.1002 17815.7368 0.0000 0.0000 34158.4053 -149444.1951 298.3138 -183602.6005 -149352.7863 298.2888 79.8127 111.4880 556410.6016 -13.5344 -13.5672 PRESSURE: 3039000 -239.356 -194.586 -63.1627 -194.585 -153.213 48.1232 -63.1618 48.1216 -211.79 GPRESSURE: 3039000 -169.7 -231.382 -53.1208 -178.199 -117.555 147.761 -45.7759 1.61871 -215.879 PRESSAVG: 3039000 30.6835 -46.8455 -13.6838 -46.8455 -27.8259 34.9336 -13.6838 34.9336 -21.7482 GPRESSAVG: 3039000 30.1332 -47.6382 -12.1104 -49.0475 -27.9332 35.7142 -12.5038 33.4663 -21.4223 TIMING: 3039000 CPU: 8820.82, 0.00291067/step Wall: 8820.82, 0.00291067/step, 1.58551 hours remaining, 206.093750 MB of memory in use. ENERGY: 3039000 755.1863 2065.8662 1936.8606 123.7054 -206055.7710 17507.9108 0.0000 0.0000 34331.8403 -149334.4014 299.8285 -183666.2417 -149244.7234 299.3556 -201.4530 -167.7111 556544.4074 -6.2969 -6.4075 PRESSURE: 3039200 -213.578 0.98457 -54.2065 0.984801 -37.5022 95.2539 -54.2061 95.2559 -171.898 GPRESSURE: 3039200 -194.24 40.716 -56.8291 15.9788 16.2469 45.6762 -15.0508 160.712 -161.565 PRESSAVG: 3039200 -29.6856 -26.8255 6.39967 -26.8255 32.0496 23.0857 6.39967 23.0857 42.1741 GPRESSAVG: 3039200 -29.6162 -24.9079 3.03592 -27.627 34.1702 21.6444 7.34325 22.7804 40.1808 TIMING: 3039200 CPU: 8821.4, 0.00292056/step Wall: 8821.4, 0.00292056/step, 1.59073 hours remaining, 206.101562 MB of memory in use. ENERGY: 3039200 777.7462 2104.2514 1970.2994 112.3095 -206013.5093 17581.1359 0.0000 0.0000 34161.0487 -149306.7183 298.3369 -183467.7670 -149217.9462 298.9853 -140.9929 -113.1860 557499.0333 14.8460 14.9116 PRESSURE: 3039400 -42.235 4.32382 -64.5097 4.32424 34.6671 -77.9729 -64.5109 -77.9735 -91.5179 GPRESSURE: 3039400 -50.282 22.9349 -114.364 76.7397 90.6871 -61.0594 9.7153 -45.3457 -22.3767 PRESSAVG: 3039400 14.0001 -9.33838 19.5489 -9.33847 -10.6861 -11.1226 19.5489 -11.1225 -40.3989 GPRESSAVG: 3039400 13.5146 -8.56413 21.2521 -9.40765 -12.1393 -9.75626 18.7405 -12.2272 -38.6277 TIMING: 3039400 CPU: 8821.98, 0.00290361/step Wall: 8821.98, 0.00290361/step, 1.58134 hours remaining, 206.101562 MB of memory in use. ENERGY: 3039400 797.3495 2052.8805 1931.2250 106.3919 -206299.1366 17862.0104 0.0000 0.0000 34255.4399 -149293.8395 299.1613 -183549.2793 -149193.1477 298.6507 -33.0286 6.0095 558257.2057 -12.3616 -12.4175 PRESSURE: 3039600 -133.05 106.26 97.133 106.26 -196.372 -60.8406 97.1325 -60.8397 100.739 GPRESSURE: 3039600 -107.7 87.9398 138.171 57.6213 -160.738 -66.6 84.0564 -36.9177 140.708 PRESSAVG: 3039600 -61.1467 -21.1518 -24.0196 -21.1517 -6.79576 -2.82776 -24.0195 -2.82769 54.6804 GPRESSAVG: 3039600 -59.1118 -23.1017 -22.1716 -20.3614 -6.44236 -4.67912 -23.7565 -0.139833 52.3524 TIMING: 3039600 CPU: 8822.56, 0.00289654/step Wall: 8822.56, 0.00289654/step, 1.57733 hours remaining, 206.101562 MB of memory in use. ENERGY: 3039600 735.2715 2078.4331 1960.6801 106.0929 -206250.2355 17792.8990 0.0000 0.0000 34188.2079 -149388.6510 298.5741 -183576.8589 -149286.2482 298.3958 -76.2276 -42.5766 557658.0791 -4.4207 -4.4006 PRESSURE: 3039800 -213.965 -116.597 43.7803 -116.597 -141.627 106.808 43.779 106.809 -79.5922 GPRESSURE: 3039800 -214.596 -82.1733 28.5496 -108.732 -58.4516 193.572 40.3575 137.999 -66.2194 PRESSAVG: 3039800 43.5263 33.0976 8.91216 33.0975 -42.2313 -25.4736 8.91205 -25.4735 17.6302 GPRESSAVG: 3039800 42.0547 31.9902 6.55118 33.5676 -42.9447 -23.7491 11.1241 -27.0338 19.006 TIMING: 3039800 CPU: 8823.15, 0.0029365/step Wall: 8823.15, 0.0029365/step, 1.59892 hours remaining, 206.101562 MB of memory in use. ENERGY: 3039800 803.4304 2074.6252 1962.9854 116.3720 -206382.7634 17755.0959 0.0000 0.0000 34221.5119 -149448.7425 298.8650 -183670.2544 -149345.3153 298.6276 -145.0613 -113.0890 557637.5124 6.3084 6.0387 PRESSURE: 3040000 -126.102 -10.7123 87.3451 -10.7106 83.4316 -125.076 87.3441 -125.078 61.5286 GPRESSURE: 3040000 -72.942 6.13586 68.663 26.1735 159.154 -156.31 142.58 -144.098 38.3774 PRESSAVG: 3040000 -16.0232 27.7972 -36.4268 27.7974 30.6202 -26.7241 -36.4268 -26.724 -14.724 GPRESSAVG: 3040000 -16.2345 27.7417 -34.0966 27.7257 30.5407 -28.4482 -39.7039 -26.0672 -14.1181 TIMING: 3040000 CPU: 8823.73, 0.00290523/step Wall: 8823.73, 0.00290523/step, 1.58174 hours remaining, 206.101562 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: 3040000 756.5526 2100.4804 1956.6541 113.4062 -206653.0126 17956.0288 0.0000 0.0000 34267.5315 -149502.3590 299.2669 -183769.8905 -149405.1412 298.8936 6.2859 41.5298 557322.6759 -0.0424 0.0627 PRESSURE: 3040200 248.258 -24.4822 -15.8684 -24.4825 -23.3475 149.702 -15.8686 149.7 -78.0633 GPRESSURE: 3040200 279.01 -52.1801 -73.8545 -15.0233 -28.2507 133.803 2.25963 151.624 -9.16662 PRESSAVG: 3040200 0.255522 9.24884 49.3511 9.24885 14.542 -14.9078 49.3511 -14.9079 -18.6338 GPRESSAVG: 3040200 0.723896 10.1386 49.3484 8.93438 13.8222 -15.2591 48.6164 -14.8989 -18.3298 TIMING: 3040200 CPU: 8824.32, 0.00292842/step Wall: 8824.32, 0.00292842/step, 1.5942 hours remaining, 206.101562 MB of memory in use. ENERGY: 3040200 790.8914 2063.5517 1972.4309 115.9829 -206769.9135 17992.1190 0.0000 0.0000 34242.0158 -149592.9219 299.0440 -183834.9377 -149503.2907 298.2067 48.9490 80.5310 556669.0928 -1.2788 -1.2612 LDB: ============= START OF LOAD BALANCING ============== 8827.79 LDB: ============== END OF LOAD BALANCING =============== 8827.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8827.79 LDB: ============= START OF LOAD BALANCING ============== 8828.08 LDB: Largest compute 4848 load 0.029459 is 25.0% of average load 0.117820 LDB: Average compute 0.001710 is 1.5% of average load 0.117820 LDB: TIME 8828.08 LOAD: AVG 0.11782 MAX 0.183302 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.637 MB LDB: TIME 8828.08 LOAD: AVG 0.11782 MAX 0.183302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: TIME 8828.08 LOAD: AVG 0.11782 MAX 0.183302 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.883 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8828.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8828.09 PRESSURE: 3040400 -83.6188 10.0102 133.541 10.0096 -55.3189 88.3338 133.542 88.3341 154.488 GPRESSURE: 3040400 -72.1439 -48.2495 171.657 19.5673 -16.0394 154.803 85.5446 31.5616 195.303 PRESSAVG: 3040400 70.1792 20.1619 19.881 20.1618 -76.4634 7.30436 19.8811 7.30427 -21.1893 GPRESSAVG: 3040400 69.9977 20.123 22.3873 21.6059 -74.6196 9.08888 17.6518 6.93528 -22.4426 TIMING: 3040400 CPU: 8824.91, 0.00297788/step Wall: 8824.91, 0.00297788/step, 1.62096 hours remaining, 206.593750 MB of memory in use. ENERGY: 3040400 787.4706 2120.4377 1972.3182 110.9854 -206669.0798 17960.0999 0.0000 0.0000 34290.8853 -149426.8827 299.4708 -183717.7681 -149326.8562 298.2208 5.1835 35.7065 557082.2488 -9.1578 -9.0215 PRESSURE: 3040600 30.4766 35.3156 9.86427 35.3153 -90.2926 46.153 9.86492 46.1525 -111.178 GPRESSURE: 3040600 54.6249 27.0189 -34.1081 111.942 -51.7808 24.1012 2.50959 49.9077 -68.6016 PRESSAVG: 3040600 -9.96041 -19.6477 -5.16248 -19.6477 14.2871 2.46798 -5.16247 2.46804 -20.5796 GPRESSAVG: 3040600 -11.3903 -19.0654 -8.85269 -20.5521 14.8815 0.689396 0.347799 1.16902 -19.3373 TIMING: 3040600 CPU: 8825.5, 0.00291368/step Wall: 8825.5, 0.00291368/step, 1.58585 hours remaining, 206.593750 MB of memory in use. ENERGY: 3040600 753.6009 2041.9954 1925.3194 111.1367 -206224.3782 17835.2508 0.0000 0.0000 34150.6025 -149406.4724 298.2457 -183557.0748 -149314.9510 298.7633 -56.9981 -21.9192 558615.4007 -5.4176 -5.2820 PRESSURE: 3040800 -12.1328 -249.799 -1.83526 -249.798 -244.508 157.567 -1.83642 157.567 -45.2498 GPRESSURE: 3040800 94.5434 -230.262 23.2593 -251.91 -276.267 164.017 -53.4228 179.329 -18.1725 PRESSAVG: 3040800 42.1441 -6.79086 -55.034 -6.79082 10.7812 9.26262 -55.034 9.26256 -69.6302 GPRESSAVG: 3040800 42.7563 -7.51679 -54.2122 -5.92012 11.0406 10.2905 -57.7209 10.4521 -70.7767 TIMING: 3040800 CPU: 8826.08, 0.0028953/step Wall: 8826.08, 0.0028953/step, 1.57569 hours remaining, 206.593750 MB of memory in use. ENERGY: 3040800 703.5737 2040.7404 1973.0591 118.5800 -206151.2779 17769.1189 0.0000 0.0000 34200.5808 -149345.6250 298.6822 -183546.2058 -149245.7811 298.6247 -100.6301 -66.6320 558508.5330 -5.5683 -5.6599 PRESSURE: 3041000 -157.575 -33.9118 76.2937 -33.913 -80.094 45.0169 76.2951 45.019 -258.768 GPRESSURE: 3041000 -87.7571 2.33299 59.8542 -70.383 -69.1954 128.306 135.228 -43.643 -235.955 PRESSAVG: 3041000 -84.6003 -36.6734 -7.31445 -36.6735 106.415 -4.75545 -7.31443 -4.75532 32.6797 GPRESSAVG: 3041000 -83.9015 -36.179 -6.45224 -37.2097 106.224 -5.18281 -6.60757 -5.68408 32.5647 TIMING: 3041000 CPU: 8826.66, 0.00291715/step Wall: 8826.66, 0.00291715/step, 1.58741 hours remaining, 206.593750 MB of memory in use. ENERGY: 3041000 735.4865 2085.3919 1934.5765 109.2381 -205808.2425 17473.1444 0.0000 0.0000 34148.2968 -149322.1082 298.2256 -183470.4050 -149227.5832 298.5514 -165.4790 -130.9692 557217.5695 18.1647 18.2958 PRESSURE: 3041200 108.232 54.7597 -21.6122 54.7599 196.897 98.7561 -21.6128 98.7552 158.825 GPRESSURE: 3041200 108.193 75.5144 -15.6978 68.597 235.255 50.9436 -38.0716 154.124 217.859 PRESSAVG: 3041200 -21.9676 16.8502 -10.4782 16.8502 36.1726 -32.5904 -10.4782 -32.5906 -5.50749 GPRESSAVG: 3041200 -23.0134 14.9129 -11.203 15.5657 35.8316 -33.5662 -11.3191 -31.2164 -4.51157 TIMING: 3041200 CPU: 8827.24, 0.00289972/step Wall: 8827.24, 0.00289972/step, 1.57777 hours remaining, 206.593750 MB of memory in use. ENERGY: 3041200 728.7091 2111.8432 1952.2842 112.0046 -206187.3271 17811.7498 0.0000 0.0000 34209.0210 -149261.7151 298.7559 -183470.7361 -149166.8097 298.6789 154.6516 187.1022 554957.2171 2.8992 2.7689 PRESSURE: 3041400 -5.72713 0.65433 -13.7342 0.653733 -74.8704 -5.17944 -13.7335 -5.18069 369.488 GPRESSURE: 3041400 55.4046 59.8494 21.1777 17.1716 -33.9314 -20.4673 21.0503 -9.90195 359.644 PRESSAVG: 3041400 -29.6154 28.3618 35.5761 28.3617 51.5846 -25.0286 35.5761 -25.0287 16.4874 GPRESSAVG: 3041400 -29.3671 30.5148 35.8307 29.5257 51.2575 -23.2584 36.0435 -26.3605 15.7946 TIMING: 3041400 CPU: 8827.82, 0.00289567/step Wall: 8827.82, 0.00289567/step, 1.57541 hours remaining, 206.593750 MB of memory in use. ENERGY: 3041400 704.3748 2071.4837 1954.7564 111.8600 -206300.7102 17843.6699 0.0000 0.0000 34504.1547 -149110.4108 301.3334 -183614.5655 -149014.5544 298.9380 96.2969 127.0392 556743.5127 12.8189 12.5616 PRESSURE: 3041600 -189.244 15.8534 21.0703 15.8527 195.381 91.8903 21.0714 91.89 -127.633 GPRESSURE: 3041600 -96.6761 -94.4126 33.6639 61.7622 195.21 68.9042 76.6211 85.9365 -122.772 PRESSAVG: 3041600 -64.3048 39.2042 -0.0613247 39.2042 38.8159 -73.5164 -0.0612789 -73.5163 53.8334 GPRESSAVG: 3041600 -64.03 40.0368 -0.527882 38.1103 38.5078 -73.2606 0.569201 -74.7255 54.1132 TIMING: 3041600 CPU: 8828.4, 0.00290671/step Wall: 8828.4, 0.00290671/step, 1.58125 hours remaining, 206.664062 MB of memory in use. ENERGY: 3041600 749.8321 2079.2595 1959.5159 117.6770 -205662.7112 17619.3009 0.0000 0.0000 34179.0679 -148958.0578 298.4943 -183137.1257 -148863.8912 299.2265 -40.4985 -8.0793 557872.4903 9.4482 9.5303 PRESSURE: 3041800 27.4239 -1.88736 -82.9141 -1.88804 309.972 126.453 -82.9141 126.452 -27.0866 GPRESSURE: 3041800 -22.6974 -37.7441 -82.0694 32.626 351.007 82.2619 -88.875 159.255 72.0133 PRESSAVG: 3041800 -59.8967 20.484 8.18213 20.4841 71.0426 -21.8997 8.18216 -21.8997 -30.5988 GPRESSAVG: 3041800 -60.7038 19.1462 8.998 20.4806 71.8541 -23.8745 7.20811 -19.5762 -29.7052 TIMING: 3041800 CPU: 8828.98, 0.00291587/step Wall: 8828.98, 0.00291587/step, 1.58607 hours remaining, 206.765625 MB of memory in use. ENERGY: 3041800 717.7164 2105.1804 1965.3359 106.5284 -206739.9123 18205.8256 0.0000 0.0000 34424.9083 -149214.4174 300.6413 -183639.3257 -149117.8430 298.9128 103.4364 133.4411 558915.9453 -6.4843 -6.1850 PRESSURE: 3042000 -218.481 26.6423 9.08233 26.6444 -129.893 -23.1076 9.08428 -23.109 -198.364 GPRESSURE: 3042000 -201.929 40.6043 -59.1091 -34.0598 -71.9217 -21.6102 118.576 -3.39231 -174.834 PRESSAVG: 3042000 18.2287 55.1042 9.71703 55.1042 61.2683 -10.5905 9.71716 -10.5906 -92.3843 GPRESSAVG: 3042000 17.9612 55.7429 10.7387 53.5068 60.4499 -11.2592 8.95692 -9.33419 -91.8462 TIMING: 3042000 CPU: 8829.57, 0.00292732/step Wall: 8829.57, 0.00292732/step, 1.59214 hours remaining, 206.765625 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: 3042000 718.9259 2137.2696 1943.1805 109.8562 -206002.3923 17689.1531 0.0000 0.0000 34435.7130 -148968.2940 300.7356 -183404.0070 -148863.5824 298.9833 -182.2460 -149.5617 559017.8767 -4.2958 -4.4784 PRESSURE: 3042200 -40.1774 40.3951 43.898 40.3939 66.7377 -43.5562 43.8979 -43.5582 -91.4548 GPRESSURE: 3042200 18.0934 47.2614 27.6763 -99.5801 33.5278 -8.77241 -76.3918 -60.7612 -25.528 PRESSAVG: 3042200 -22.0132 32.0375 40.3009 32.0376 58.8292 -40.916 40.3009 -40.916 -32.2883 GPRESSAVG: 3042200 -21.7798 29.7677 39.7238 35.838 58.665 -39.3586 42.1658 -42.7966 -32.5602 TIMING: 3042200 CPU: 8830.15, 0.00290621/step Wall: 8830.15, 0.00290621/step, 1.58049 hours remaining, 206.765625 MB of memory in use. ENERGY: 3042200 739.6793 2107.3158 1974.0757 108.5258 -206219.9497 17910.7094 0.0000 0.0000 34363.1390 -149016.5048 300.1018 -183379.6437 -148917.5767 299.5661 -21.6315 8.6977 558269.7496 1.5092 1.4416 PRESSURE: 3042400 281.225 -104.082 158.007 -104.081 325.744 -66.5686 158.007 -66.5688 214.529 GPRESSURE: 3042400 329.734 -156.734 139.503 -10.3614 341.489 -87.0698 87.9115 -6.64538 239.433 PRESSAVG: 3042400 14.7706 17.2735 23.3874 17.2736 81.8726 -6.64651 23.3873 -6.64654 -44.1873 GPRESSAVG: 3042400 15.5251 17.7434 25.1064 14.5394 80.6313 -7.54089 21.9615 -5.21736 -43.8773 TIMING: 3042400 CPU: 8830.73, 0.00290202/step Wall: 8830.73, 0.00290202/step, 1.57805 hours remaining, 206.765625 MB of memory in use. ENERGY: 3042400 742.2148 2156.3910 1949.7743 113.9207 -206677.6982 18309.9296 0.0000 0.0000 34387.2965 -149018.1714 300.3128 -183405.4678 -148919.4263 299.4834 273.8327 303.5521 558209.9403 17.4853 17.4264 PRESSURE: 3042600 -49.3063 1.88299 -68.1168 1.8845 -71.4423 -105.432 -68.1173 -105.431 93.7192 GPRESSURE: 3042600 -0.551383 -74.6116 -23.9728 103.018 -71.1482 -102.197 -84.761 -118.05 133.115 PRESSAVG: 3042600 45.6476 57.6651 19.3578 57.6651 -36.6156 -9.53282 19.3578 -9.53271 -4.81428 GPRESSAVG: 3042600 44.0023 58.6981 17.1488 58.6834 -34.9207 -8.85911 20.3774 -11.7338 -4.85864 TIMING: 3042600 CPU: 8831.31, 0.00289939/step Wall: 8831.31, 0.00289939/step, 1.57647 hours remaining, 206.765625 MB of memory in use. ENERGY: 3042600 724.9640 2136.6224 1968.7387 125.2999 -206030.1429 17704.5585 0.0000 0.0000 34268.1158 -149101.8435 299.2720 -183369.9592 -149003.8228 298.8259 -9.0098 20.4718 558456.1226 1.4059 1.4077 PRESSURE: 3042800 261.033 -152.29 100.156 -152.289 -7.35333 85.0522 100.156 85.0502 0.51947 GPRESSURE: 3042800 312.75 -148.292 120.728 -180.306 8.1412 88.7601 61.5722 144.026 33.9551 PRESSAVG: 3042800 14.5011 -63.4581 26.5735 -63.4582 -86.7965 -16.867 26.5735 -16.867 46.2344 GPRESSAVG: 3042800 15.8523 -62.6089 27.8737 -64.083 -87.9924 -17.6619 27.1364 -15.6902 45.6857 TIMING: 3042800 CPU: 8831.9, 0.00294451/step Wall: 8831.9, 0.00294451/step, 1.60083 hours remaining, 206.765625 MB of memory in use. ENERGY: 3042800 761.8859 2156.2872 1950.1713 113.0043 -206596.3440 18030.5498 0.0000 0.0000 34485.2687 -149099.1769 301.1684 -183584.4456 -149004.5467 299.2164 84.7331 118.2821 558042.7366 -8.6870 -8.8181 PRESSURE: 3043000 3.4406 24.45 55.1828 24.4508 -0.202424 13.7207 55.1828 13.7212 175.126 GPRESSURE: 3043000 75.3504 29.1304 38.117 -30.2007 46.2317 -27.0496 60.2082 66.4327 158.542 PRESSAVG: 3043000 43.3686 21.4676 30.4382 21.4676 -48.1494 21.5038 30.4382 21.5039 47.4695 GPRESSAVG: 3043000 42.7355 21.179 28.1419 21.9605 -48.182 22.4753 31.0365 21.4222 47.9583 TIMING: 3043000 CPU: 8832.49, 0.00295954/step Wall: 8832.49, 0.00295954/step, 1.60884 hours remaining, 206.765625 MB of memory in use. ENERGY: 3043000 733.1572 2092.2257 1941.0988 103.2549 -206355.9525 17850.5463 0.0000 0.0000 34339.1190 -149296.5506 299.8921 -183635.6696 -149195.8855 299.4316 59.4547 93.3748 557727.5879 14.2296 14.1706 PRESSURE: 3043200 81.7529 146.087 -21.0576 146.088 -108.614 53.4983 -21.0583 53.4991 59.3597 GPRESSURE: 3043200 91.1543 201.146 -20.7244 118.631 -57.1474 -55.1082 57.9697 66.8626 90.8137 PRESSAVG: 3043200 -3.86083 -9.86973 29.1737 -9.86975 7.64491 -6.55967 29.1737 -6.55969 23.5501 GPRESSAVG: 3043200 -3.40331 -11.133 28.8153 -9.26841 7.77869 -6.23609 26.9326 -6.75287 22.8289 TIMING: 3043200 CPU: 8833.07, 0.00291299/step Wall: 8833.07, 0.00291299/step, 1.58337 hours remaining, 206.765625 MB of memory in use. ENERGY: 3043200 762.4322 2079.9146 1961.6068 111.3725 -206162.6176 17788.1918 0.0000 0.0000 34197.5940 -149261.5057 298.6561 -183459.0997 -149164.6961 298.9538 10.8330 41.6069 556304.6830 9.1114 9.0681 PRESSURE: 3043400 -64.7786 -6.45302 121.651 -6.45296 51.6965 -67.2626 121.652 -67.2637 7.43785 GPRESSURE: 3043400 -3.42225 -66.0062 165.507 -34.0619 101.54 -1.16638 123.133 -94.7067 -0.0518894 PRESSAVG: 3043400 -41.8835 26.7434 31.1731 26.7433 -2.78866 -63.6516 31.173 -63.6516 35.5758 GPRESSAVG: 3043400 -42.66 26.8152 31.8095 24.8831 -2.70197 -63.6902 31.7557 -64.0623 35.3543 TIMING: 3043400 CPU: 8833.65, 0.00290182/step Wall: 8833.65, 0.00290182/step, 1.57714 hours remaining, 206.765625 MB of memory in use. ENERGY: 3043400 730.4666 2091.4300 1971.9557 120.7061 -205983.7304 17596.5662 0.0000 0.0000 34367.9999 -149104.6058 300.1443 -183472.6058 -149010.7328 299.2427 -1.8814 32.6887 557115.9071 -3.0321 -3.3359 PRESSURE: 3043600 25.0878 -12.5958 -2.58057 -12.5965 86.7319 -107.234 -2.58042 -107.234 -150.33 GPRESSURE: 3043600 93.0253 77.9357 -14.6614 -138.176 67.7093 -133.571 12.446 -72.8057 -98.6906 PRESSAVG: 3043600 -26.9738 -11.5079 34.6359 -11.5079 28.5167 -51.0489 34.6357 -51.0489 25.6688 GPRESSAVG: 3043600 -27.8883 -7.08265 35.5173 -12.7966 28.1043 -49.8555 34.2796 -50.8192 27.3041 TIMING: 3043600 CPU: 8834.24, 0.00292659/step Wall: 8834.24, 0.00292659/step, 1.59044 hours remaining, 206.765625 MB of memory in use. ENERGY: 3043600 764.7814 2097.2015 1961.6926 102.7983 -206402.0595 17807.0712 0.0000 0.0000 34392.9240 -149275.5906 300.3620 -183668.5145 -149177.4575 299.4710 -12.8368 20.6813 556314.5160 9.0706 9.1734 PRESSURE: 3043800 -307.763 59.4631 68.1225 59.4624 -315.306 -54.7207 68.1232 -54.7211 -77.0795 GPRESSURE: 3043800 -270.203 134.019 80.6708 71.3431 -275.987 -124.235 49.8226 -56.6868 -49.408 PRESSAVG: 3043800 -32.7708 20.8167 68.6447 20.8166 -48.3255 -37.5136 68.6447 -37.5136 70.7996 GPRESSAVG: 3043800 -32.3447 17.1933 69.7686 24.9142 -47.7252 -38.2965 69.9027 -37.4556 69.6348 TIMING: 3043800 CPU: 8834.82, 0.0029186/step Wall: 8834.82, 0.0029186/step, 1.58594 hours remaining, 206.765625 MB of memory in use. ENERGY: 3043800 745.1496 2165.5328 1969.8677 109.4194 -206203.6565 17684.3861 0.0000 0.0000 34414.5254 -149114.7756 300.5506 -183529.3009 -149019.6858 299.7481 -233.3828 -198.5325 559003.1449 -3.4322 -3.4783 PRESSURE: 3044000 -225.342 36.6242 -169.701 36.6228 -110.657 40.5009 -169.7 40.5018 38.8131 GPRESSURE: 3044000 -215.683 0.647042 -96.2127 42.3154 -28.0724 145.726 -149.508 13.6289 46.8798 PRESSAVG: 3044000 -42.2827 23.772 -3.80625 23.772 11.7897 -0.691777 -3.80619 -0.691807 37.5718 GPRESSAVG: 3044000 -41.8811 23.3668 -4.44334 21.1597 12.1241 0.325299 -2.71901 -1.79877 37.1696 TIMING: 3044000 CPU: 8835.4, 0.00289223/step Wall: 8835.4, 0.00289223/step, 1.57145 hours remaining, 206.765625 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: 3044000 712.3489 2093.3845 1943.6012 106.9090 -206026.7797 17742.6600 0.0000 0.0000 34242.5870 -149185.2891 299.0490 -183427.8761 -149098.8250 299.8088 -99.0620 -65.6253 560748.2404 2.3596 2.4709 PRESSURE: 3044200 54.2061 9.47173 -203.419 9.4721 31.0154 120.252 -203.42 120.253 37.286 GPRESSURE: 3044200 66.0489 71.1094 -247.087 8.7672 109.371 104.082 -228.173 84.3791 37.8176 PRESSAVG: 3044200 -18.119 33.2658 -22.2068 33.2659 25.0792 25.8436 -22.2068 25.8436 -23.3505 GPRESSAVG: 3044200 -17.8552 34.9897 -23.4544 34.6325 23.6871 24.068 -22.5571 28.6671 -22.2833 TIMING: 3044200 CPU: 8835.98, 0.00290581/step Wall: 8835.98, 0.00290581/step, 1.57866 hours remaining, 206.765625 MB of memory in use. ENERGY: 3044200 752.0211 2081.7482 1948.5202 115.3586 -206846.3080 18115.8961 0.0000 0.0000 34527.3890 -149305.3748 301.5363 -183832.7638 -149211.6548 298.9037 40.8358 71.0790 556633.0755 -5.4634 -5.4838 LDB: ============= START OF LOAD BALANCING ============== 8839.45 LDB: ============== END OF LOAD BALANCING =============== 8839.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8839.45 LDB: ============= START OF LOAD BALANCING ============== 8839.74 LDB: Largest compute 4848 load 0.025748 is 21.8% of average load 0.117860 LDB: Average compute 0.001700 is 1.4% of average load 0.117860 LDB: TIME 8839.74 LOAD: AVG 0.11786 MAX 0.180693 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.445 MB LDB: TIME 8839.74 LOAD: AVG 0.11786 MAX 0.180693 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 8839.74 LOAD: AVG 0.11786 MAX 0.180693 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: ============== END OF LOAD BALANCING =============== 8839.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8839.75 PRESSURE: 3044400 -8.18857 29.3103 34.7125 29.3095 -103.806 29.8313 34.7118 29.8303 -33.1345 GPRESSURE: 3044400 19.3062 1.81985 99.4381 17.1056 -76.8439 171.157 9.90244 -64.9629 10.9728 PRESSAVG: 3044400 59.3558 6.21723 -1.95526 6.21718 -87.8162 -30.2608 -1.95532 -30.2606 -2.69295 GPRESSAVG: 3044400 59.3566 6.30418 0.869941 4.87014 -86.7101 -27.7382 -5.60169 -32.7321 -3.15673 TIMING: 3044400 CPU: 8836.57, 0.0029524/step Wall: 8836.57, 0.0029524/step, 1.60381 hours remaining, 205.890625 MB of memory in use. ENERGY: 3044400 758.5025 2099.1102 1937.2524 104.2205 -206154.5720 17894.6226 0.0000 0.0000 34086.5288 -149274.3350 297.6861 -183360.8638 -149183.1282 298.8297 -48.3764 -15.5216 558480.3245 -10.3844 -10.1701 PRESSURE: 3044600 209.669 90.9588 -101.443 90.9588 -156.291 -12.7251 -101.444 -12.7256 14.0727 GPRESSURE: 3044600 185.48 74.0621 -190.641 92.8128 -17.0015 -19.0021 -63.8381 35.6618 -6.68164 PRESSAVG: 3044600 43.9271 58.7602 10.7357 58.7602 -49.868 4.61787 10.7357 4.61798 -40.7482 GPRESSAVG: 3044600 44.508 58.2099 8.99558 59.9968 -49.651 3.11689 13.3377 6.80766 -41.9198 TIMING: 3044600 CPU: 8837.16, 0.00293402/step Wall: 8837.16, 0.00293402/step, 1.59366 hours remaining, 206.093750 MB of memory in use. ENERGY: 3044600 737.6669 2126.5899 1958.7985 111.7323 -206237.2518 17930.7995 0.0000 0.0000 34081.8849 -149289.7798 297.6456 -183371.6648 -149193.8778 298.1784 22.4837 53.9323 559851.5912 -15.5630 -15.6876 PRESSURE: 3044800 -92.1224 86.2724 -34.9036 86.2731 262.872 -75.2396 -34.9032 -75.2407 -18.4152 GPRESSURE: 3044800 3.68437 138.118 -48.1971 42.7454 278.255 4.92051 -10.256 -94.5196 -41.9417 PRESSAVG: 3044800 10.4654 51.2629 -9.41041 51.2629 -45.2565 23.6392 -9.41044 23.6392 -3.64319 GPRESSAVG: 3044800 10.7009 52.1473 -8.9413 52.4044 -45.6116 23.4545 -10.6927 22.8283 -3.58727 TIMING: 3044800 CPU: 8837.74, 0.00292003/step Wall: 8837.74, 0.00292003/step, 1.5859 hours remaining, 206.093750 MB of memory in use. ENERGY: 3044800 727.7746 2073.4139 1962.9170 107.9841 -206570.2006 18001.9966 0.0000 0.0000 34378.0347 -149318.0798 300.2319 -183696.1145 -149227.9033 298.1430 50.7780 79.9993 558325.8906 -12.8114 -12.8327 PRESSURE: 3045000 -59.5524 70.2466 -4.41276 70.2481 -8.70756 -121.406 -4.41321 -121.406 69.5987 GPRESSURE: 3045000 -80.7164 63.0921 45.6447 28.3958 85.4835 -207.854 37.6857 -86.0371 94.7271 PRESSAVG: 3045000 -44.5506 -2.17656 28.6758 -2.1766 22.765 -33.7599 28.6758 -33.7598 37.635 GPRESSAVG: 3045000 -45.6248 -3.05217 27.3398 -4.8649 22.5484 -32.8202 30.3226 -33.5839 38.8696 TIMING: 3045000 CPU: 8838.33, 0.00291579/step Wall: 8838.33, 0.00291579/step, 1.58343 hours remaining, 206.093750 MB of memory in use. ENERGY: 3045000 744.7757 2026.2278 1949.6278 131.7052 -206317.1658 17884.8764 0.0000 0.0000 34096.1751 -149483.7777 297.7704 -183579.9528 -149388.0314 298.4702 0.4462 33.1647 558253.2134 5.2831 5.2644 PRESSURE: 3045200 107.717 7.10756 -53.1823 7.10734 -30.325 -9.35784 -53.1813 -9.35762 64.7857 GPRESSURE: 3045200 170.065 82.957 -145.527 14.9637 -2.88836 65.2185 -11.9515 17.4644 66.2818 PRESSAVG: 3045200 17.6166 30.5497 31.4874 30.5497 49.3239 -21.8242 31.4874 -21.8242 -34.1996 GPRESSAVG: 3045200 17.6263 31.9293 31.1109 31.0434 50.8825 -20.9187 31.4615 -23.0857 -35.7688 TIMING: 3045200 CPU: 8838.91, 0.00289866/step Wall: 8838.91, 0.00289866/step, 1.57397 hours remaining, 206.093750 MB of memory in use. ENERGY: 3045200 751.2035 2072.1576 1948.3502 108.1210 -206637.9572 18034.6592 0.0000 0.0000 34078.1164 -149645.3493 297.6127 -183723.4657 -149549.2643 298.0364 47.3925 77.8196 557246.0413 10.9136 10.9133 PRESSURE: 3045400 -35.0469 -15.1644 -133.608 -15.1645 -137.569 95.641 -133.609 95.6406 85.1058 GPRESSURE: 3045400 -30.0051 -92.82 -139.123 39.4143 -134.046 132.65 -73.2044 52.3156 176.575 PRESSAVG: 3045400 -35.4949 -21.855 9.72453 -21.855 46.2109 1.50869 9.72468 1.50861 -2.84239 GPRESSAVG: 3045400 -34.8504 -22.6689 10.9588 -20.1366 45.9444 0.328461 8.91365 0.930276 -2.96711 TIMING: 3045400 CPU: 8839.48, 0.00288758/step Wall: 8839.48, 0.00288758/step, 1.5678 hours remaining, 206.093750 MB of memory in use. ENERGY: 3045400 725.1338 2120.0404 1965.2533 96.3957 -206707.8690 17925.6721 0.0000 0.0000 34154.1706 -149721.2031 298.2769 -183875.3737 -149626.3461 298.1004 -29.1701 4.1748 558288.5071 2.6245 2.7090 PRESSURE: 3045600 -152.067 -7.37671 238.379 -7.3769 -194.846 159.095 238.377 159.096 -212.344 GPRESSURE: 3045600 -121.232 -15.3991 259.852 39.5631 -129.146 190.234 232.047 150.922 -212.603 PRESSAVG: 3045600 21.0151 1.38264 35.253 1.38272 -76.3241 54.1343 35.2531 54.1341 93.6251 GPRESSAVG: 3045600 21.2041 1.11972 35.0077 0.940026 -77.1186 53.7791 36.0704 54.7633 94.5853 TIMING: 3045600 CPU: 8840.07, 0.00291902/step Wall: 8840.07, 0.00291902/step, 1.5847 hours remaining, 206.093750 MB of memory in use. ENERGY: 3045600 773.4844 2078.2834 1947.1353 113.3646 -206112.4419 17590.2315 0.0000 0.0000 34072.1401 -149537.8027 297.5605 -183609.9428 -149442.2440 297.9497 -186.4187 -154.3271 558086.2562 12.7720 12.8903 PRESSURE: 3045800 -47.9959 19.2172 42.6948 19.2175 -142.448 -4.962 42.6937 -4.96149 -83.938 GPRESSURE: 3045800 -24.7621 -67.1392 8.84223 -3.54912 -76.4415 -85.2937 24.5581 50.8688 -84.7242 PRESSAVG: 3045800 -63.0302 13.853 23.1134 13.853 16.3132 56.6759 23.1132 56.6758 25.218 GPRESSAVG: 3045800 -62.5813 12.5289 23.1721 15.412 16.151 56.4578 22.6129 56.6361 24.8782 TIMING: 3045800 CPU: 8840.65, 0.00293743/step Wall: 8840.65, 0.00293743/step, 1.59453 hours remaining, 206.093750 MB of memory in use. ENERGY: 3045800 701.5199 2106.3549 1961.2243 106.9677 -206311.7385 17722.5550 0.0000 0.0000 34280.3324 -149432.7844 299.3787 -183713.1168 -149335.4849 298.6751 -91.4607 -61.9759 557890.6986 -7.1663 -7.1840 PRESSURE: 3046000 -34.5614 -46.0694 110.426 -46.0698 -136.868 -30.9891 110.425 -30.9889 -121.531 GPRESSURE: 3046000 -36.3397 -29.6451 150.649 -55.278 -94.919 -26.4103 126.799 -26.2527 -63.9778 PRESSAVG: 3046000 63.9509 10.8491 -49.8503 10.8491 -68.6955 9.00584 -49.8503 9.00587 -25.9447 GPRESSAVG: 3046000 63.8674 12.7923 -50.9799 8.20881 -68.2271 8.50961 -49.7995 10.5352 -26.2162 TIMING: 3046000 CPU: 8841.24, 0.00294182/step Wall: 8841.24, 0.00294182/step, 1.59675 hours remaining, 206.093750 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: 3046000 754.9027 2115.7393 1959.5794 115.8558 -206234.9713 17697.8242 0.0000 0.0000 34269.3926 -149321.6773 299.2831 -183591.0700 -149223.4381 298.2980 -97.6535 -65.0788 557152.6628 -10.2297 -10.1920 PRESSURE: 3046200 145.085 -69.5112 74.0047 -69.5107 -61.6732 112.888 74.004 112.888 -92.7348 GPRESSURE: 3046200 109.19 -16.4008 -14.4575 -127.895 -23.4776 156.043 124.695 77.7797 8.30418 PRESSAVG: 3046200 6.6275 -11.121 -37.0364 -11.1211 -77.547 -21.0528 -37.0364 -21.0528 51.4694 GPRESSAVG: 3046200 5.6472 -14.3465 -37.294 -9.87754 -77.8889 -20.1409 -36.3748 -22.7082 52.7595 TIMING: 3046200 CPU: 8841.83, 0.00292947/step Wall: 8841.83, 0.00292947/step, 1.58989 hours remaining, 206.230469 MB of memory in use. ENERGY: 3046200 753.9902 2076.4282 1965.0553 119.3444 -206319.7094 17974.3756 0.0000 0.0000 34126.6615 -149303.8542 298.0366 -183430.5157 -149216.0898 299.1721 -3.1076 31.3389 557570.6882 -6.4834 -6.4941 PRESSURE: 3046400 -257.739 228.04 153.763 228.04 166.978 -212.151 153.763 -212.15 -176.47 GPRESSURE: 3046400 -179.468 216.379 164.774 162.996 159.643 -102.641 265.821 -254.223 -158.814 PRESSAVG: 3046400 -35.3194 20.6264 10.6603 20.6263 2.94478 -43.0915 10.6603 -43.0915 6.78185 GPRESSAVG: 3046400 -34.2837 22.9336 11.5187 21.0111 3.65446 -43.6 9.17154 -42.8646 4.9589 TIMING: 3046400 CPU: 8842.42, 0.00294119/step Wall: 8842.42, 0.00294119/step, 1.59609 hours remaining, 206.230469 MB of memory in use. ENERGY: 3046400 766.6358 2115.4937 1952.6854 106.3650 -205996.6373 17589.6918 0.0000 0.0000 34226.3242 -149239.4415 298.9070 -183465.7657 -149147.1947 298.7980 -89.0767 -59.5463 557099.6014 -8.5309 -8.5568 PRESSURE: 3046600 268.608 -33.6146 60.6037 -33.6151 -7.98766 2.89533 60.6054 2.89403 -196.577 GPRESSURE: 3046600 268.943 -39.2171 39.1147 -42.5264 64.3448 55.4137 90.3188 -1.49833 -164.643 PRESSAVG: 3046600 -11.8693 57.4305 33.5189 57.4305 -20.7127 -46.5451 33.5189 -46.5452 15.6483 GPRESSAVG: 3046600 -12.1274 59.0282 32.9854 56.277 -21.8482 -45.9372 33.4869 -44.8434 17.789 TIMING: 3046600 CPU: 8843.01, 0.00295343/step Wall: 8843.01, 0.00295343/step, 1.60256 hours remaining, 206.230469 MB of memory in use. ENERGY: 3046600 769.3625 2114.8489 1961.2860 109.1533 -206243.3985 17859.3060 0.0000 0.0000 34317.7726 -149111.6692 299.7056 -183429.4418 -149018.9548 299.1114 21.3477 56.2150 558414.9282 -5.6446 -5.3955 PRESSURE: 3046800 42.1576 -37.2054 48.4526 -37.2051 180.496 123.164 48.4507 123.164 104.74 GPRESSURE: 3046800 43.5305 -104.387 51.5558 68.6888 282.614 88.748 98.9832 159.272 100.323 PRESSAVG: 3046800 -4.29623 -12.3581 19.465 -12.3582 -25.0709 -28.9296 19.465 -28.9295 34.3897 GPRESSAVG: 3046800 -5.0079 -13.0753 18.9893 -12.7457 -23.7145 -30.224 20.3547 -28.0742 33.4549 TIMING: 3046800 CPU: 8843.6, 0.00294362/step Wall: 8843.6, 0.00294362/step, 1.59708 hours remaining, 206.230469 MB of memory in use. ENERGY: 3046800 760.1701 2113.3534 1952.6127 110.7734 -206235.2678 18027.5005 0.0000 0.0000 34351.8987 -148918.9590 300.0037 -183270.8577 -148815.9961 300.4203 109.1309 142.1558 558714.5047 1.6742 1.5775 PRESSURE: 3047000 21.8219 80.9379 35.5756 80.9392 96.2001 -2.40908 35.5751 -2.41073 -272.99 GPRESSURE: 3047000 -25.168 53.4328 27.1895 13.0066 195.518 18.7985 15.869 22.644 -231.855 PRESSAVG: 3047000 31.6943 36.9111 30.5963 36.9112 28.6204 34.9908 30.5963 34.9908 -56.5707 GPRESSAVG: 3047000 31.5688 36.0856 32.3643 37.8102 28.5879 35.589 29.7467 32.9715 -56.5359 TIMING: 3047000 CPU: 8844.18, 0.00294207/step Wall: 8844.18, 0.00294207/step, 1.59607 hours remaining, 206.230469 MB of memory in use. ENERGY: 3047000 739.4033 2094.9607 1949.6574 114.2683 -206072.5964 17760.7070 0.0000 0.0000 34267.4306 -149146.1689 299.2660 -183413.5995 -149045.0342 299.8214 -51.6560 -20.5017 557851.3146 1.2480 1.2069 PRESSURE: 3047200 -39.3879 -8.89076 89.5403 -8.8908 -279.689 -66.6582 89.5395 -66.6563 121.875 GPRESSURE: 3047200 16.6402 -53.4051 132.98 41.9484 -234.945 -5.63837 87.1699 -5.71344 125.78 PRESSAVG: 3047200 9.35309 -43.0681 10.5708 -43.0681 -0.895027 42.5126 10.5708 42.5125 -40.1828 GPRESSAVG: 3047200 9.56465 -43.3276 12.4508 -42.833 -2.04457 42.7764 10.3828 44.7895 -39.211 TIMING: 3047200 CPU: 8844.77, 0.00293237/step Wall: 8844.77, 0.00293237/step, 1.59065 hours remaining, 206.230469 MB of memory in use. ENERGY: 3047200 786.5116 2127.0190 1921.2780 106.6377 -206168.7009 17854.2349 0.0000 0.0000 34302.5119 -149070.5078 299.5724 -183373.0196 -148978.5764 299.5174 -65.7341 -30.8415 558012.3073 -10.5749 -10.5636 PRESSURE: 3047400 -38.2022 126.684 5.16452 126.685 46.2106 6.08224 5.16383 6.08117 -142.896 GPRESSURE: 3047400 -8.60696 167.875 7.79257 80.9532 95.8938 14.7831 -25.1679 -41.3574 -119.517 PRESSAVG: 3047400 66.7591 44.957 19.8393 44.9569 -20.3565 -25.7556 19.8394 -25.7556 -13.1973 GPRESSAVG: 3047400 66.2872 46.4424 17.5763 43.4826 -19.8124 -25.8979 22.926 -28.8536 -12.8762 TIMING: 3047400 CPU: 8845.35, 0.00291669/step Wall: 8845.35, 0.00291669/step, 1.58198 hours remaining, 206.230469 MB of memory in use. ENERGY: 3047400 715.4719 2164.7865 1913.0272 119.1539 -206060.6975 17660.6503 0.0000 0.0000 34484.8984 -149002.7093 301.1652 -183487.6077 -148898.5429 300.5843 -44.9624 -10.7435 556688.6521 11.0684 11.1995 PRESSURE: 3047600 0.463636 12.2226 148.941 12.2223 -263.48 -0.222501 148.941 -0.223099 50.8547 GPRESSURE: 3047600 37.454 18.6324 83.2719 0.553945 -289.834 -47.7 108.636 58.2632 141.882 PRESSAVG: 3047600 34.2153 9.4044 2.90007 9.40442 -1.59788 -38.6067 2.90014 -38.6067 -20.4852 GPRESSAVG: 3047600 34.8787 8.5007 2.0382 10.3988 -1.27243 -35.7483 -0.367792 -39.482 -21.4905 TIMING: 3047600 CPU: 8845.94, 0.00290999/step Wall: 8845.94, 0.00290999/step, 1.57818 hours remaining, 206.230469 MB of memory in use. ENERGY: 3047600 765.3782 2093.7807 1954.0973 100.9662 -206425.3483 17929.6327 0.0000 0.0000 34429.8301 -149151.6632 300.6843 -183581.4933 -149056.1911 300.4855 -70.7204 -36.8328 557334.0307 4.0441 4.0386 PRESSURE: 3047800 39.9024 -109.651 134.772 -109.652 42.0625 138.201 134.773 138.203 4.85144 GPRESSURE: 3047800 104.65 -95.0377 152.176 -104.94 29.3501 60.4371 81.2182 145.985 43.3155 PRESSAVG: 3047800 -18.4984 -20.1578 65.7331 -20.1579 -3.88433 18.9712 65.7332 18.9712 53.4437 GPRESSAVG: 3047800 -18.3287 -17.3699 66.6089 -20.3406 -6.31734 15.8493 66.703 21.4405 55.8964 TIMING: 3047800 CPU: 8846.52, 0.00289983/step Wall: 8846.52, 0.00289983/step, 1.57251 hours remaining, 206.230469 MB of memory in use. ENERGY: 3047800 747.8296 2135.7358 1955.9929 110.0426 -206260.8523 17772.2577 0.0000 0.0000 34295.1655 -149243.8281 299.5082 -183538.9936 -149149.2941 299.6694 28.9388 59.1053 555882.9782 10.3537 10.4168 PRESSURE: 3048000 -189.81 -97.8756 -119.212 -97.8771 13.5341 66.2706 -119.212 66.271 47.7797 GPRESSURE: 3048000 -171.297 -100.915 -55.9715 -121.196 90.6808 -25.1848 -123.878 83.2238 62.9416 PRESSAVG: 3048000 14.4989 26.1281 67.2575 26.1282 -28.1066 -18.829 67.2575 -18.829 -36.2075 GPRESSAVG: 3048000 14.2978 23.5974 66.1838 24.6331 -26.6554 -17.3643 66.9477 -18.3381 -37.9835 TIMING: 3048000 CPU: 8847.1, 0.00293531/step Wall: 8847.1, 0.00293531/step, 1.59159 hours remaining, 206.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3048000 761.2734 2103.7588 1957.3002 119.1495 -206035.8641 17696.4500 0.0000 0.0000 34328.5255 -149069.4067 299.7996 -183397.9322 -148983.7545 299.2469 -42.8319 -5.8914 557556.7560 -16.6051 -16.7804 PRESSURE: 3048200 50.4155 -160.253 -5.77501 -160.254 229.48 -53.5683 -5.77361 -53.5684 48.3199 GPRESSURE: 3048200 123.366 -117.765 9.37612 -135.364 215.871 -66.8533 -40.4635 -7.1611 88.5099 PRESSAVG: 3048200 28.0117 -30.6049 2.99389 -30.6049 18.5765 14.0075 2.99393 14.0075 -3.95737 GPRESSAVG: 3048200 27.3201 -31.2013 5.00336 -29.0064 19.2866 12.4315 1.52325 13.5998 -3.51677 TIMING: 3048200 CPU: 8847.69, 0.00295174/step Wall: 8847.69, 0.00295174/step, 1.60034 hours remaining, 206.230469 MB of memory in use. ENERGY: 3048200 748.5357 2087.0885 2012.5999 119.8020 -206170.0114 17958.5604 0.0000 0.0000 34236.3688 -149007.0562 298.9947 -183243.4249 -148911.2001 300.1703 109.4050 142.5824 557152.1988 14.2103 14.3633 LDB: ============= START OF LOAD BALANCING ============== 8851.16 LDB: ============== END OF LOAD BALANCING =============== 8851.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8851.16 LDB: ============= START OF LOAD BALANCING ============== 8851.46 LDB: Largest compute 4821 load 0.028225 is 24.0% of average load 0.117729 LDB: Average compute 0.001713 is 1.5% of average load 0.117729 LDB: TIME 8851.46 LOAD: AVG 0.117729 MAX 0.179082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 8851.46 LOAD: AVG 0.117729 MAX 0.179082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: TIME 8851.46 LOAD: AVG 0.117729 MAX 0.179082 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.094 MB LDB: ============== END OF LOAD BALANCING =============== 8851.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8851.46 PRESSURE: 3048400 47.208 -10.7031 51.2305 -10.7041 -110.478 49.768 51.2314 49.77 -23.1711 GPRESSURE: 3048400 74.8394 -6.31535 57.0297 3.09258 -31.5604 81.679 65.3295 61.4181 -53.3437 PRESSAVG: 3048400 -52.5789 -38.1102 -3.04934 -38.1102 69.0649 8.51693 -3.04932 8.517 1.64433 GPRESSAVG: 3048400 -52.5324 -39.5647 -2.99087 -35.648 70.0485 9.02843 -3.21723 9.2687 0.44166 TIMING: 3048400 CPU: 8848.29, 0.00297098/step Wall: 8848.29, 0.00297098/step, 1.6106 hours remaining, 205.175781 MB of memory in use. ENERGY: 3048400 766.4023 2065.4834 1953.8417 125.0330 -205774.9118 17704.9200 0.0000 0.0000 34274.5160 -148884.7154 299.3279 -183159.2313 -148783.3075 299.7738 -28.8137 -3.3549 558937.3977 6.0434 5.9859 PRESSURE: 3048600 295.928 68.1752 41.3577 68.1744 21.3334 6.36477 41.3576 6.36548 207.047 GPRESSURE: 3048600 347.586 32.8726 49.6497 15.4709 58.0414 -79.0125 -4.16919 23.4984 228.537 PRESSAVG: 3048600 19.3533 16.9018 24.241 16.9019 -26.7702 33.79 24.2409 33.7901 6.95715 GPRESSAVG: 3048600 20.3145 18.3081 24.4321 16.2177 -27.3698 34.7507 24.0924 32.5077 6.42705 TIMING: 3048600 CPU: 8848.87, 0.00291101/step Wall: 8848.87, 0.00291101/step, 1.57793 hours remaining, 205.175781 MB of memory in use. ENERGY: 3048600 754.5933 2035.4407 1977.0584 120.5957 -206468.6428 18302.6552 0.0000 0.0000 34537.5514 -148740.7481 301.6250 -183278.2995 -148644.7928 299.8205 174.7695 211.3880 558497.9865 -0.1532 -0.2094 PRESSURE: 3048800 250.892 -31.1629 -142.444 -31.1621 24.4356 155.268 -142.444 155.268 274.864 GPRESSURE: 3048800 246.777 24.9972 -139.319 -5.00258 22.264 234.66 -201.583 166.551 380.698 PRESSAVG: 3048800 40.0808 36.6671 -96.4553 36.6671 -1.54124 -36.5933 -96.4553 -36.5933 -26.6541 GPRESSAVG: 3048800 38.9904 36.7835 -97.0859 34.2769 -1.27507 -36.1827 -96.3961 -38.1063 -26.0851 TIMING: 3048800 CPU: 8849.45, 0.00290698/step Wall: 8849.45, 0.00290698/step, 1.57558 hours remaining, 205.175781 MB of memory in use. ENERGY: 3048800 765.9039 2101.1683 1933.2505 110.5768 -205903.3937 17881.3484 0.0000 0.0000 34318.9617 -148792.1842 299.7160 -183111.1459 -148699.7301 300.2605 183.3972 216.5797 557565.9979 3.9618 3.8767 PRESSURE: 3049000 3.0436 67.8087 -88.4581 67.8084 -41.3166 86.6151 -88.4597 86.6158 -262.788 GPRESSURE: 3049000 11.9196 43.7014 -69.3232 58.4674 -42.9627 118.295 5.8796 62.083 -165.906 PRESSAVG: 3049000 -43.8172 14.009 -19.4477 14.0089 11.7337 -4.67916 -19.4478 -4.6792 35.6471 GPRESSAVG: 3049000 -43.3547 14.7022 -20.3168 15.641 11.0431 -6.05372 -17.8884 -2.17827 35.7732 TIMING: 3049000 CPU: 8850.03, 0.00290241/step Wall: 8850.03, 0.00290241/step, 1.57295 hours remaining, 205.175781 MB of memory in use. ENERGY: 3049000 748.8719 2037.0465 1978.0174 116.0115 -205918.0101 17761.5126 0.0000 0.0000 34267.7280 -149008.8223 299.2686 -183276.5503 -148908.5509 300.0397 -100.3536 -65.6497 558401.5330 1.1879 1.1539 PRESSURE: 3049200 52.225 -120.717 -67.0161 -120.717 -171.96 93.2172 -67.0163 93.2173 -205.501 GPRESSURE: 3049200 104.773 -31.8252 13.4031 -181.008 -132.72 77.3526 -32.4446 92.9809 -190.276 PRESSAVG: 3049200 -54.883 52.009 -19.2279 52.0089 -5.77909 2.40451 -19.2279 2.40446 49.5605 GPRESSAVG: 3049200 -54.6782 52.2548 -19.6482 50.4453 -5.47336 1.88162 -19.7271 2.36261 48.9958 TIMING: 3049200 CPU: 8850.61, 0.00288935/step Wall: 8850.61, 0.00288935/step, 1.56571 hours remaining, 205.175781 MB of memory in use. ENERGY: 3049200 750.4824 2073.2170 1980.2518 126.5583 -205801.5949 17711.6382 0.0000 0.0000 34014.7302 -149144.7171 297.0591 -183159.4472 -149052.2284 299.1699 -108.4119 -72.7408 560238.4064 -3.7005 -3.7186 PRESSURE: 3049400 74.8487 171.211 31.3056 171.21 228.445 32.5444 31.3059 32.5442 274.572 GPRESSURE: 3049400 54.441 175.177 0.0200701 156.843 250.418 13.3158 113.826 -4.33649 375.303 PRESSAVG: 3049400 -55.5692 63.5447 -21.3916 63.5446 29.0752 -38.3636 -21.3917 -38.3635 14.2667 GPRESSAVG: 3049400 -56.1994 63.2211 -19.8899 63.6539 28.6992 -39.0359 -22.5096 -38.5282 15.273 TIMING: 3049400 CPU: 8851.19, 0.0029056/step Wall: 8851.19, 0.0029056/step, 1.57435 hours remaining, 205.175781 MB of memory in use. ENERGY: 3049400 713.9427 2098.8940 1981.3617 123.4941 -206430.9330 18130.8277 0.0000 0.0000 34241.5141 -149140.8986 299.0397 -183382.4128 -149047.9687 298.6114 192.6219 226.7205 557744.1603 -4.0757 -4.0757 PRESSURE: 3049600 109.191 -110.553 -153.377 -110.552 159.347 -102.728 -153.375 -102.726 -92.9069 GPRESSURE: 3049600 199.08 -58.0084 -166.766 -84.5231 129.658 -130.979 -178.953 -147.342 -69.3269 PRESSAVG: 3049600 10.1036 -14.5289 -18.2182 -14.5288 -17.4259 2.35615 -18.2182 2.35618 6.84337 GPRESSAVG: 3049600 10.0027 -14.7884 -19.4291 -15.1114 -18.7265 2.88901 -19.3834 0.758209 8.16956 TIMING: 3049600 CPU: 8851.77, 0.00291294/step Wall: 8851.77, 0.00291294/step, 1.57817 hours remaining, 205.175781 MB of memory in use. ENERGY: 3049600 697.4107 2075.3255 1950.9574 113.6767 -205880.0271 17790.6143 0.0000 0.0000 34258.0306 -148994.0118 299.1839 -183252.0424 -148899.1520 299.5232 58.5438 86.4704 558412.9174 -0.1597 -0.1848 PRESSURE: 3049800 61.1312 -38.3359 -71.7399 -38.3358 -242.669 27.9168 -71.7407 27.917 -253.233 GPRESSURE: 3049800 85.8518 -89.8146 75.4324 32.7884 -209.423 4.40193 -106.349 86.1457 -221.413 PRESSAVG: 3049800 12.6181 0.909625 -43.7886 0.909635 0.780551 -63.9145 -43.7886 -63.9144 -29.6576 GPRESSAVG: 3049800 11.6408 -0.880103 -43.7899 2.9389 2.51226 -62.1429 -41.9604 -63.7795 -30.275 TIMING: 3049800 CPU: 8852.36, 0.00291619/step Wall: 8852.36, 0.00291619/step, 1.57976 hours remaining, 205.175781 MB of memory in use. ENERGY: 3049800 779.3207 2030.2328 1971.7519 105.3120 -205933.3103 17663.5387 0.0000 0.0000 34481.3885 -148901.7657 301.1345 -183383.1542 -148795.5742 300.1482 -144.9238 -114.9949 556604.9597 -5.4196 -5.3740 PRESSURE: 3050000 -86.6408 -55.4135 7.17938 -55.4112 -286.559 167.882 7.17865 167.882 -63.1053 GPRESSURE: 3050000 3.34738 40.8826 -63.5968 -68.1021 -253.265 203.912 81.1927 203.983 -71.4509 PRESSAVG: 3050000 -28.3976 86.557 -14.8962 86.557 -3.92616 7.48865 -14.8962 7.48857 14.2232 GPRESSAVG: 3050000 -26.8002 88.0582 -14.0494 83.8581 -5.0252 8.67724 -16.0166 8.03349 13.9445 TIMING: 3050000 CPU: 8852.94, 0.00289822/step Wall: 8852.94, 0.00289822/step, 1.56987 hours remaining, 205.175781 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: 3050000 740.6929 2101.1035 1962.4110 98.8775 -206136.8618 17669.7247 0.0000 0.0000 34503.5181 -149060.5342 301.3278 -183564.0522 -148963.7553 300.2045 -145.4350 -107.1229 557010.0695 -6.0335 -5.9603 PRESSURE: 3050200 141.991 -44.338 89.3752 -44.3369 -127.309 -76.5617 89.3753 -76.5611 -73.2017 GPRESSURE: 3050200 169.149 -47.1724 190.168 -41.8194 -114.762 -41.257 66.4255 -38.514 -20.3675 PRESSAVG: 3050200 -22.0937 -10.033 -22.2595 -10.033 -2.29974 -27.7331 -22.2595 -27.7331 18.4998 GPRESSAVG: 3050200 -23.0167 -9.69032 -21.5761 -9.29889 -1.97968 -28.9638 -22.5269 -27.8072 19.5633 TIMING: 3050200 CPU: 8853.51, 0.00289053/step Wall: 8853.51, 0.00289053/step, 1.56554 hours remaining, 205.175781 MB of memory in use. ENERGY: 3050200 735.5095 2104.3207 1964.3879 106.0801 -206142.4677 17693.0717 0.0000 0.0000 34500.7321 -149038.3657 301.3035 -183539.0978 -148941.2248 299.9951 -19.5066 11.3398 555749.9221 -1.9646 -1.8110 PRESSURE: 3050400 -53.4281 175.383 -75.16 175.382 28.1744 -17.5553 -75.1611 -17.5551 187.908 GPRESSURE: 3050400 -44.3974 150.141 -96.6292 154.398 102.661 -25.5457 -142.76 27.4056 200.449 PRESSAVG: 3050400 13.1938 -69.813 -34.706 -69.813 -2.73543 -5.06985 -34.706 -5.06984 8.07863 GPRESSAVG: 3050400 13.8827 -68.5637 -34.7071 -70.6152 -2.0426 -5.16253 -34.4267 -6.66846 7.12782 TIMING: 3050400 CPU: 8854.1, 0.00291497/step Wall: 8854.1, 0.00291497/step, 1.57862 hours remaining, 205.175781 MB of memory in use. ENERGY: 3050400 750.8078 2084.3342 1977.6059 111.0785 -206053.1656 17824.0111 0.0000 0.0000 34249.8561 -149055.4720 299.1125 -183305.3281 -148958.1517 299.6315 54.2181 86.2375 557999.2535 6.1790 6.3226 PRESSURE: 3050600 165.018 44.6851 -82.2686 44.6861 -118.034 60.4249 -82.2688 60.4245 17.696 GPRESSURE: 3050600 185.411 -35.4842 -147.659 112.188 -60.7302 58.2471 -95.783 142.635 33.938 PRESSAVG: 3050600 34.9508 -17.4436 -45.3416 -17.4436 -49.2642 26.8237 -45.3416 26.8238 -7.66511 GPRESSAVG: 3050600 35.8725 -18.3825 -49.0876 -15.906 -50.0067 25.5943 -42.2821 28.2247 -7.88631 TIMING: 3050600 CPU: 8854.68, 0.002901/step Wall: 8854.68, 0.002901/step, 1.57089 hours remaining, 205.175781 MB of memory in use. ENERGY: 3050600 735.4151 2111.0163 1952.3898 94.9842 -206193.3273 17875.6208 0.0000 0.0000 34269.3332 -149154.5678 299.2826 -183423.9010 -149064.8710 299.3873 21.5600 52.8728 557870.8997 -7.3262 -7.3402 PRESSURE: 3050800 -186.832 -190.021 -80.6234 -190.021 -158.109 -67.8931 -80.6236 -67.8935 89.374 GPRESSURE: 3050800 -140.03 -116.62 -82.4363 -200.759 -88.8806 55.8762 -139.075 -201.803 74.519 PRESSAVG: 3050800 24.2268 -11.433 -48.1439 -11.433 -26.2969 -4.05345 -48.1439 -4.05332 22.2673 GPRESSAVG: 3050800 23.3967 -11.8335 -46.7635 -12.6074 -26.5518 -1.34749 -50.4735 -5.71907 23.4482 TIMING: 3050800 CPU: 8855.26, 0.00290835/step Wall: 8855.26, 0.00290835/step, 1.57471 hours remaining, 205.175781 MB of memory in use. ENERGY: 3050800 713.4486 2110.7433 1952.3132 108.2500 -205957.0081 17720.7234 0.0000 0.0000 34306.9489 -149044.5807 299.6111 -183351.5296 -148943.3509 299.3177 -85.1889 -51.4639 559346.1458 6.7324 6.7644 PRESSURE: 3051000 63.6037 7.54847 -5.44394 7.54824 37.6353 28.3145 -5.44442 28.316 45.3262 GPRESSURE: 3051000 187.91 -79.7978 19.4119 71.3166 25.5553 126.7 -19.479 -5.32878 33.6503 PRESSAVG: 3051000 -53.4025 -14.1151 -11.1786 -14.1152 46.7395 -21.2107 -11.1785 -21.2107 -5.54067 GPRESSAVG: 3051000 -51.4583 -13.831 -8.37139 -12.679 46.2585 -21.0826 -12.2103 -20.1233 -6.70745 TIMING: 3051000 CPU: 8855.84, 0.00291585/step Wall: 8855.84, 0.00291585/step, 1.57861 hours remaining, 205.378906 MB of memory in use. ENERGY: 3051000 728.3931 2094.8493 1964.5746 119.5657 -206092.6329 17912.8991 0.0000 0.0000 34149.8684 -149122.4826 298.2393 -183272.3510 -149030.9906 299.2892 48.8551 82.3720 558683.5453 -4.0679 -3.9691 PRESSURE: 3051200 -309.885 -11.5474 -114.663 -11.5488 -269.567 -106.654 -114.663 -106.653 9.87481 GPRESSURE: 3051200 -312.789 49.1862 -71.9351 1.56914 -200.236 -135.53 -159.368 -85.3803 47.6777 PRESSAVG: 3051200 -39.5762 -12.1424 -89.8545 -12.1425 -33.6542 10.2675 -89.8546 10.2674 44.1449 GPRESSAVG: 3051200 -40.22 -10.8487 -92.0818 -13.9026 -32.6289 9.13414 -87.0965 10.5593 44.4754 TIMING: 3051200 CPU: 8856.43, 0.00291777/step Wall: 8856.43, 0.00291777/step, 1.57948 hours remaining, 205.378906 MB of memory in use. ENERGY: 3051200 791.7637 2074.1733 1949.6647 122.2204 -205671.9665 17528.5000 0.0000 0.0000 34082.4703 -149123.1741 297.6507 -183205.6444 -149021.4287 299.6727 -189.8590 -155.1157 559928.1205 -9.6951 -9.4578 PRESSURE: 3051400 22.4708 189.064 -59.884 189.063 -105.952 68.978 -59.8835 68.9762 90.9558 GPRESSURE: 3051400 42.7341 169.509 -81.3991 163.418 -16.8369 84.9979 -1.68956 133.37 87.9564 PRESSAVG: 3051400 -9.17691 47.8835 -12.6283 47.8835 -31.2818 -15.8724 -12.6283 -15.8726 71.4961 GPRESSAVG: 3051400 -9.86036 46.9312 -10.9059 47.7193 -32.0553 -15.8569 -14.3674 -14.7121 72.5391 TIMING: 3051400 CPU: 8857.01, 0.00290789/step Wall: 8857.01, 0.00290789/step, 1.57398 hours remaining, 205.378906 MB of memory in use. ENERGY: 3051400 809.7928 2027.5817 1982.0292 103.4146 -206385.0565 17951.9922 0.0000 0.0000 34340.3359 -149169.9101 299.9027 -183510.2460 -149077.7086 299.1786 2.4914 37.9512 559031.5577 10.3458 10.2078 PRESSURE: 3051600 136.095 63.1874 -40.6164 63.1872 -128.983 -33.9799 -40.6148 -33.9811 -193.177 GPRESSURE: 3051600 188.019 8.8886 -30.5366 23.9679 -96.1937 -34.2563 -96.8882 -4.41322 -178.293 PRESSAVG: 3051600 -40.7329 36.206 -16.1237 36.206 77.2622 -14.4237 -16.1237 -14.4237 -5.92419 GPRESSAVG: 3051600 -40.9006 36.8725 -17.1239 36.4013 77.7837 -15.0613 -16.0126 -13.4962 -6.8614 TIMING: 3051600 CPU: 8857.59, 0.00289848/step Wall: 8857.59, 0.00289848/step, 1.56872 hours remaining, 205.378906 MB of memory in use. ENERGY: 3051600 755.1045 2098.3974 2009.7731 110.1938 -206145.7727 17757.6295 0.0000 0.0000 34189.7616 -149224.9127 298.5877 -183414.6743 -149132.9228 299.1329 -62.0217 -28.8224 558642.9413 10.2017 10.0072 PRESSURE: 3051800 -20.169 -37.1238 257.35 -37.1227 -299.652 -80.2208 257.35 -80.2222 -86.9076 GPRESSURE: 3051800 -23.6326 -32.8083 239.802 -19.8148 -252.625 -80.38 249.915 -172.271 -36.2906 PRESSAVG: 3051800 -8.43911 -27.5741 30.3017 -27.5741 -27.8518 32.0018 30.3017 32.0018 40.7717 GPRESSAVG: 3051800 -7.88362 -28.1137 28.0502 -26.9657 -28.9926 32.4992 31.2002 31.7852 41.2777 TIMING: 3051800 CPU: 8858.17, 0.00293558/step Wall: 8858.17, 0.00293558/step, 1.58864 hours remaining, 205.378906 MB of memory in use. ENERGY: 3051800 736.5287 2084.1571 1971.3223 110.4764 -205658.5519 17708.3145 0.0000 0.0000 34084.7953 -148962.9577 297.6710 -183047.7530 -148865.1102 299.7952 -135.5763 -104.1828 559097.0396 1.4936 1.4672 PRESSURE: 3052000 -231.049 59.2864 19.8774 59.2847 -229.885 -197.188 19.8772 -197.187 -91.3489 GPRESSURE: 3052000 -154.272 106.366 -42.0284 31.3393 -207.11 -194.024 90.518 -129.278 -110.27 PRESSAVG: 3052000 -24.7048 10.3285 -2.26324 10.3285 -0.596278 9.64251 -2.2632 9.64245 64.6958 GPRESSAVG: 3052000 -25.516 12.674 -2.81003 9.70174 0.0114118 10.0648 -1.56826 8.29023 64.6763 TIMING: 3052000 CPU: 8858.76, 0.00293067/step Wall: 8858.76, 0.00293067/step, 1.58582 hours remaining, 205.378906 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: 3052000 752.7912 2068.4234 1958.0399 106.6234 -205711.6405 17463.5837 0.0000 0.0000 34155.3187 -149206.8602 298.2869 -183362.1789 -149106.7024 299.3675 -184.0943 -157.2170 559357.0978 13.1316 13.0572 PRESSURE: 3052200 -181.228 -73.534 -111.925 -73.5347 -171.715 -25.629 -111.925 -25.6273 95.3725 GPRESSURE: 3052200 -183.082 -119.214 -110.5 -40.8141 -127.689 -25.4303 -145.542 -94.2454 138.335 PRESSAVG: 3052200 34.959 -9.35277 53.973 -9.35268 -81.3895 -38.5527 53.9728 -38.5526 59.39 GPRESSAVG: 3052200 33.7399 -11.832 54.8496 -7.67726 -80.8869 -39.191 55.1717 -39.9121 59.7929 TIMING: 3052200 CPU: 8859.35, 0.00292964/step Wall: 8859.35, 0.00292964/step, 1.5851 hours remaining, 205.378906 MB of memory in use. ENERGY: 3052200 769.0681 2118.3619 1955.6075 112.9478 -206148.9843 17690.3633 0.0000 0.0000 34330.2506 -149172.3850 299.8146 -183502.6356 -149082.7461 299.0767 -85.8566 -57.4786 558374.8386 4.3198 4.2153 LDB: ============= START OF LOAD BALANCING ============== 8862.82 LDB: ============== END OF LOAD BALANCING =============== 8862.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8862.82 LDB: ============= START OF LOAD BALANCING ============== 8863.11 LDB: Largest compute 4821 load 0.028343 is 24.1% of average load 0.117711 LDB: Average compute 0.001703 is 1.4% of average load 0.117711 LDB: TIME 8863.11 LOAD: AVG 0.117711 MAX 0.17813 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.207 MB LDB: TIME 8863.11 LOAD: AVG 0.117711 MAX 0.17813 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 8863.11 LOAD: AVG 0.117711 MAX 0.17813 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 8863.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.12 PRESSURE: 3052400 54.8944 -142.114 -148.201 -142.115 -99.9468 -109.652 -148.2 -109.651 68.7927 GPRESSURE: 3052400 82.4301 -60.2523 -138.253 -152.024 -35.2187 -65.5517 -125.445 -76.56 73.4466 PRESSAVG: 3052400 33.09 -40.8488 -21.659 -40.8488 -28.8538 5.83264 -21.6591 5.83262 27.3367 GPRESSAVG: 3052400 33.5381 -40.4239 -19.9113 -41.8467 -28.6583 5.24956 -25.1728 7.96859 26.5052 TIMING: 3052400 CPU: 8859.95, 0.00299165/step Wall: 8859.95, 0.00299165/step, 1.61848 hours remaining, 205.890625 MB of memory in use. ENERGY: 3052400 745.1233 2124.9013 1935.2715 107.7726 -205887.2180 17807.1542 0.0000 0.0000 33973.5454 -149193.4496 296.6994 -183166.9950 -149100.8204 298.5826 7.9135 40.2193 558535.0312 10.5243 10.4617 PRESSURE: 3052600 -32.7191 24.261 -39.1611 24.2607 -9.86095 88.508 -39.1615 88.5065 164.383 GPRESSURE: 3052600 -7.67549 -82.5787 -56.2583 94.5388 -5.71213 132.184 2.69577 -26.1953 224.205 PRESSAVG: 3052600 -29.4421 -0.222262 -34.8621 -0.222211 -16.1053 18.784 -34.862 18.784 45.4938 GPRESSAVG: 3052600 -29.2116 -0.286974 -35.9237 0.271197 -16.5038 18.0111 -32.9402 18.3328 44.9724 TIMING: 3052600 CPU: 8860.52, 0.00289339/step Wall: 8860.52, 0.00289339/step, 1.56516 hours remaining, 206.148438 MB of memory in use. ENERGY: 3052600 760.7884 2073.1712 1943.2339 117.7591 -206156.0090 17879.2181 0.0000 0.0000 34335.2850 -149046.5533 299.8586 -183381.8383 -148947.7431 298.8128 40.6010 70.2726 556790.9811 -0.0179 -0.2476 PRESSURE: 3052800 -74.3819 11.7477 -55.6008 11.7466 -86.5681 -56.2411 -55.5994 -56.2401 -121.648 GPRESSURE: 3052800 -34.325 27.0239 -31.8937 5.16058 -62.4941 -14.1241 -10.32 -107.257 -77.3875 PRESSAVG: 3052800 -26.6538 -43.9524 -50.1484 -43.9524 1.69269 3.19931 -50.1484 3.19916 17.6921 GPRESSAVG: 3052800 -27.8695 -43.9206 -48.1927 -43.4393 1.4411 5.10878 -51.2813 1.94653 18.6 TIMING: 3052800 CPU: 8861.1, 0.00289226/step Wall: 8861.1, 0.00289226/step, 1.56439 hours remaining, 206.218750 MB of memory in use. ENERGY: 3052800 739.9761 2073.8719 1954.0315 110.6557 -206173.6048 17688.4999 0.0000 0.0000 34498.3494 -149108.2203 301.2827 -183606.5697 -149006.7004 299.1334 -94.1993 -58.0689 556749.1657 -2.4230 -2.6094 PRESSURE: 3053000 -38.7441 -138.216 30.5669 -138.216 -40.7796 -97.8651 30.5681 -97.8647 -80.5922 GPRESSURE: 3053000 12.2183 -85.8064 -16.8123 -104.726 -1.40194 -140.743 73.26 -106.412 -69.2155 PRESSAVG: 3053000 -17.6383 14.3497 -42.3331 14.3497 12.8939 33.786 -42.3331 33.786 -11.1787 GPRESSAVG: 3053000 -17.6901 16.2729 -45.1299 14.9771 12.5726 32.7047 -41.0699 33.9491 -10.5043 TIMING: 3053000 CPU: 8861.69, 0.00292845/step Wall: 8861.69, 0.00292845/step, 1.5838 hours remaining, 206.218750 MB of memory in use. ENERGY: 3053000 765.4181 2075.1908 1964.3777 117.5573 -206207.2133 17825.6444 0.0000 0.0000 34308.0025 -149151.0226 299.6203 -183459.0251 -149058.4633 299.4916 -53.3720 -19.4664 556100.1157 -5.3077 -5.2072 PRESSURE: 3053200 -59.8567 28.7281 -38.4281 28.7284 -181.643 48.7689 -38.4282 48.7716 5.24399 GPRESSURE: 3053200 9.72782 -42.2912 -64.6597 93.2334 -162.975 40.7802 -68.8534 16.8705 3.83454 PRESSAVG: 3053200 31.2314 -0.527584 36.6924 -0.527695 -6.60422 -54.3714 36.6924 -54.3714 -15.8718 GPRESSAVG: 3053200 30.5338 -2.62228 38.4808 0.730795 -5.519 -53.9676 35.7979 -55.6374 -15.9502 TIMING: 3053200 CPU: 8862.27, 0.00293132/step Wall: 8862.27, 0.00293132/step, 1.58519 hours remaining, 206.218750 MB of memory in use. ENERGY: 3053200 757.1401 2181.2850 1965.4980 104.8173 -206066.8833 17658.2557 0.0000 0.0000 34303.5436 -149096.3434 299.5814 -183399.8871 -149001.9279 298.6029 -78.7521 -49.8043 558157.6743 2.9185 3.0215 PRESSURE: 3053400 -27.8872 122.725 213.379 122.725 56.8912 28.1002 213.38 28.1006 54.914 GPRESSURE: 3053400 79.4447 94.0078 159.65 146.578 67.8185 -19.6641 233.669 71.7637 38.9473 PRESSAVG: 3053400 -0.192022 26.8662 5.04775 26.8662 16.78 -10.5331 5.0477 -10.5331 22.2187 GPRESSAVG: 3053400 -0.00335349 29.1024 1.35852 24.3195 17.3049 -9.95048 5.56606 -8.56039 21.3851 TIMING: 3053400 CPU: 8862.86, 0.00290357/step Wall: 8862.86, 0.00290357/step, 1.57003 hours remaining, 206.218750 MB of memory in use. ENERGY: 3053400 734.8793 2111.7707 1976.8126 117.1943 -206382.4277 17870.7299 0.0000 0.0000 34207.2464 -149363.7945 298.7404 -183571.0409 -149266.7984 298.4608 27.9727 62.0702 556393.3845 12.9356 12.8955 PRESSURE: 3053600 -140.405 -85.0381 106.494 -85.0379 138.779 -252.75 106.494 -252.752 291.085 GPRESSURE: 3053600 -105.734 -8.51056 185.746 -120.162 180.343 -163.591 5.40853 -293.479 308.466 PRESSAVG: 3053600 -23.3786 28.2693 -26.0572 28.2693 -36.8725 -65.4561 -26.0572 -65.4559 58.5568 GPRESSAVG: 3053600 -22.0853 25.8357 -25.0183 28.6872 -38.3971 -64.9751 -27.5362 -66.5728 58.844 TIMING: 3053600 CPU: 8863.44, 0.00291066/step Wall: 8863.44, 0.00291065/step, 1.57369 hours remaining, 206.218750 MB of memory in use. ENERGY: 3053600 737.8907 2134.9260 1948.9463 103.4042 -206521.5806 18003.0634 0.0000 0.0000 34073.3701 -149519.9799 297.5712 -183593.3500 -149418.8939 298.7317 96.4863 127.6918 557226.1768 -0.5648 -0.5461 PRESSURE: 3053800 17.2993 108.694 -4.82317 108.694 105.27 114.246 -4.82299 114.246 -25.1026 GPRESSURE: 3053800 76.1383 133.171 49.1729 44.9157 170.945 1.21742 29.8072 124.309 -39.8818 PRESSAVG: 3053800 -20.5653 -0.173308 -10.6172 -0.17341 56.2623 9.61694 -10.6172 9.61697 -30.2319 GPRESSAVG: 3053800 -20.4591 1.35681 -10.1834 0.148266 56.5737 7.33982 -8.81698 10.78 -30.5305 TIMING: 3053800 CPU: 8864.03, 0.00295556/step Wall: 8864.03, 0.00295556/step, 1.59781 hours remaining, 206.218750 MB of memory in use. ENERGY: 3053800 720.7415 2115.3301 1953.5385 115.1493 -206571.7075 17921.4594 0.0000 0.0000 34170.0121 -149575.4766 298.4152 -183745.4888 -149483.4457 298.3732 32.4889 69.0670 556238.5438 1.8217 1.8614 PRESSURE: 3054000 -24.926 -43.1813 -45.1362 -43.1813 -78.0308 -81.1262 -45.1347 -81.1256 105.787 GPRESSURE: 3054000 2.18953 31.5321 -0.355498 -31.6197 -44.6746 -21.8065 1.01947 26.2193 157.371 PRESSAVG: 3054000 -44.7798 40.882 31.2241 40.882 9.59365 -16.3986 31.2241 -16.3985 18.4634 GPRESSAVG: 3054000 -44.3292 40.8014 29.8921 40.6062 8.80915 -16.2359 32.2336 -15.2665 18.6253 TIMING: 3054000 CPU: 8864.61, 0.00291821/step Wall: 8864.61, 0.00291821/step, 1.57745 hours remaining, 206.218750 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: 3054000 750.5156 2104.9987 1976.3870 118.1565 -206501.9495 17957.0361 0.0000 0.0000 34153.7304 -149441.1251 298.2730 -183594.8555 -149350.2986 298.3202 0.9434 38.2952 556751.1997 -5.5742 -5.6316 PRESSURE: 3054200 375.569 49.0887 110.762 49.0885 6.85847 87.3491 110.761 87.3489 105.817 GPRESSURE: 3054200 357.318 81.6499 140.618 -13.0235 53.1816 147.621 106.814 48.9858 164.023 PRESSAVG: 3054200 -49.3298 -12.4116 21.9712 -12.4116 -3.62571 36.5054 21.9712 36.5054 94.6375 GPRESSAVG: 3054200 -51.4373 -13.426 21.791 -11.6645 -3.12584 35.0915 22.4354 34.2107 95.8663 TIMING: 3054200 CPU: 8865.19, 0.00288895/step Wall: 8865.19, 0.00288895/step, 1.56148 hours remaining, 206.218750 MB of memory in use. ENERGY: 3054200 707.2705 2103.9130 1953.6449 108.9602 -206437.7579 17975.1000 0.0000 0.0000 34252.0399 -149336.8294 299.1316 -183588.8693 -149229.9966 298.7371 162.7483 191.5075 557087.6595 13.8940 13.7677 PRESSURE: 3054400 -31.3283 -108.452 -85.5501 -108.452 15.6889 84.7429 -85.5501 84.7437 -6.70954 GPRESSURE: 3054400 21.5172 -76.1539 11.6559 -114.495 14.6218 51.1842 -44.4021 104.716 50.4943 PRESSAVG: 3054400 -60.7038 6.597 15.8923 6.59697 -23.6899 23.5836 15.8924 23.5836 71.6283 GPRESSAVG: 3054400 -59.8008 6.44699 18.4035 4.06825 -23.5721 23.2379 14.0019 25.2234 70.7477 TIMING: 3054400 CPU: 8865.77, 0.00291761/step Wall: 8865.77, 0.00291761/step, 1.5768 hours remaining, 206.218750 MB of memory in use. ENERGY: 3054400 710.8688 2128.5684 1942.9402 116.1972 -206027.9203 17730.2704 0.0000 0.0000 34109.0774 -149289.9978 297.8831 -183399.0752 -149198.9074 298.8070 -7.4496 28.8778 557288.1210 -4.2552 -4.2084 PRESSURE: 3054600 4.55233 -130.572 43.1842 -130.572 -105.717 77.7989 43.1842 77.799 -347.665 GPRESSURE: 3054600 40.5214 -56.1287 100.128 -180.715 -86.0949 22.3424 56.1204 62.498 -314.919 PRESSAVG: 3054600 -26.4678 -9.00426 -26.8633 -9.00419 3.40807 -10.2015 -26.8633 -10.2014 52.3044 GPRESSAVG: 3054600 -25.0326 -8.08547 -27.6659 -6.10518 1.5323 -8.57548 -26.3642 -11.565 52.192 TIMING: 3054600 CPU: 8866.36, 0.0029301/step Wall: 8866.36, 0.0029301/step, 1.5834 hours remaining, 206.218750 MB of memory in use. ENERGY: 3054600 728.2839 2120.9404 1935.0389 102.5112 -205824.1299 17564.4074 0.0000 0.0000 34294.3368 -149078.6113 299.5010 -183372.9481 -148985.4545 298.8847 -149.6099 -120.1640 558086.2271 9.7482 9.5639 PRESSURE: 3054800 -69.7311 30.1713 -42.2448 30.1724 284.822 -91.6287 -42.2451 -91.6303 -236.914 GPRESSURE: 3054800 -7.79181 11.7504 -112.146 168.878 291.089 -83.2963 6.88424 -129.483 -222.507 PRESSAVG: 3054800 64.8505 -14.4744 1.64306 -14.4744 -11.1743 -19.5438 1.64292 -19.5438 -36.186 GPRESSAVG: 3054800 62.3888 -13.66 2.36209 -16.1215 -9.13293 -18.2938 1.28499 -18.7609 -35.8502 TIMING: 3054800 CPU: 8866.94, 0.00291951/step Wall: 8866.94, 0.00291951/step, 1.57751 hours remaining, 206.218750 MB of memory in use. ENERGY: 3054800 719.8242 2137.3468 1980.1400 116.5035 -206270.0996 17941.3745 0.0000 0.0000 34268.8508 -149106.0598 299.2784 -183374.9106 -149022.3138 298.9573 -7.2743 20.2633 559974.9038 5.8301 5.8019 PRESSURE: 3055000 8.19517 -57.7661 25.1271 -57.7654 -383.116 -81.3297 25.1258 -81.3295 5.93254 GPRESSURE: 3055000 80.7314 -68.6524 78.3807 -28.4682 -361.543 -84.3964 -59.6245 -69.0567 6.85243 PRESSAVG: 3055000 -22.7066 -44.2065 -11.9602 -44.2065 46.792 -22.1493 -11.9602 -22.1493 1.73697 GPRESSAVG: 3055000 -22.1317 -45.5052 -15.0952 -42.9504 45.5347 -23.8412 -11.2279 -21.894 2.56138 TIMING: 3055000 CPU: 8867.52, 0.00289269/step Wall: 8867.52, 0.00289269/step, 1.56286 hours remaining, 206.218750 MB of memory in use. ENERGY: 3055000 726.1510 2075.2487 1962.0607 105.9949 -206105.2878 17769.5629 0.0000 0.0000 34175.5825 -149290.6870 298.4639 -183466.2695 -149190.3713 298.5771 -122.9961 -91.3196 560134.0971 8.6075 8.6548 PRESSURE: 3055200 108.242 145.103 -32.0668 145.104 5.21083 22.2638 -32.0665 22.2634 132.828 GPRESSURE: 3055200 161.116 118.376 40.025 104.111 64.9846 49.2959 -37.2022 64.0262 123.445 PRESSAVG: 3055200 -25.9247 -44.2294 55.1307 -44.2293 -12.9599 -40.6405 55.1308 -40.6406 14.0027 GPRESSAVG: 3055200 -25.3155 -42.6753 57.9164 -45.5334 -11.3863 -39.1157 55.7604 -40.5736 12.0511 TIMING: 3055200 CPU: 8868.1, 0.00289666/step Wall: 8868.1, 0.00289666/step, 1.56484 hours remaining, 206.218750 MB of memory in use. ENERGY: 3055200 712.7055 2073.3315 1958.5875 126.5633 -206019.8010 17867.6512 0.0000 0.0000 34163.6983 -149117.2637 298.3601 -183280.9621 -149029.8846 298.1981 82.0935 116.5154 558918.4190 -8.2940 -8.2169 PRESSURE: 3055400 -82.4488 -7.9302 70.466 -7.93053 -49.1581 -11.8391 70.4668 -11.8393 0.905231 GPRESSURE: 3055400 -29.8017 28.5573 58.7905 1.96362 -11.903 -112.159 -22.2435 -49.0715 2.12644 PRESSAVG: 3055400 -23.4182 -2.00439 7.60248 -2.00442 -17.857 5.25613 7.60252 5.25619 21.2041 GPRESSAVG: 3055400 -24.4495 -3.96383 6.71713 0.281647 -18.0184 3.67039 5.00218 4.53827 22.0812 TIMING: 3055400 CPU: 8868.68, 0.00291292/step Wall: 8868.68, 0.00291292/step, 1.57346 hours remaining, 206.218750 MB of memory in use. ENERGY: 3055400 705.6077 2117.6492 1960.6891 111.2669 -205854.1029 17751.6331 0.0000 0.0000 34294.4511 -148912.8058 299.5020 -183207.2568 -148823.0127 299.6945 -43.5672 -13.1928 558647.2738 -6.6904 -6.7956 PRESSURE: 3055600 92.8123 14.0193 172.802 14.0216 51.9661 -71.7548 172.802 -71.7529 -31.2394 GPRESSURE: 3055600 227.075 116.165 150.976 -30.8268 51.122 -51.1066 185.102 -54.6212 -54.3436 PRESSAVG: 3055600 18.1359 37.118 4.24605 37.118 -14.1845 3.89379 4.24615 3.89378 43.9575 GPRESSAVG: 3055600 18.4519 38.9712 4.53283 36.2804 -14.3177 5.56841 3.69397 6.40601 43.9745 TIMING: 3055600 CPU: 8869.27, 0.00293722/step Wall: 8869.27, 0.00293722/step, 1.58642 hours remaining, 206.218750 MB of memory in use. ENERGY: 3055600 743.9058 2124.3135 1943.1820 103.2982 -206302.8625 18054.0056 0.0000 0.0000 34476.1853 -148857.9721 301.0891 -183334.1574 -148759.4695 300.5254 37.8463 74.6178 557850.8725 15.9696 16.0362 PRESSURE: 3055800 309.652 48.6703 84.5961 48.6675 -28.0981 16.9256 84.5956 16.9254 176.437 GPRESSURE: 3055800 256.088 7.44116 161.702 42.1478 35.7423 86.2545 58.6487 58.5369 273.754 PRESSAVG: 3055800 61.453 -25.1365 26.8284 -25.1365 -28.6479 35.5626 26.8285 35.5626 -34.0109 GPRESSAVG: 3055800 61.2127 -27.449 27.6369 -22.708 -28.439 36.2433 28.323 32.1696 -34.0625 TIMING: 3055800 CPU: 8869.85, 0.00291293/step Wall: 8869.85, 0.00291293/step, 1.57314 hours remaining, 206.238281 MB of memory in use. ENERGY: 3055800 728.9406 2109.1819 1989.7615 108.4183 -205972.1378 17881.9935 0.0000 0.0000 34274.6015 -148879.2405 299.3286 -183153.8420 -148783.6458 300.2257 152.6637 188.5281 556742.9455 -0.4019 -0.4296 PRESSURE: 3056000 223.382 53.6431 168.974 53.6426 282.309 68.3982 168.976 68.3978 185.052 GPRESSURE: 3056000 214.885 86.2411 154.618 -25.6844 295.414 74.7343 140.264 45.9488 265.479 PRESSAVG: 3056000 23.814 11.1067 -9.70678 11.1068 -6.41645 0.0456943 -9.70678 0.0456956 -4.42433 GPRESSAVG: 3056000 24.6258 12.3615 -11.0236 8.36764 -7.27559 -0.220364 -8.63645 1.63418 -3.25249 TIMING: 3056000 CPU: 8870.44, 0.00291019/step Wall: 8870.44, 0.00291019/step, 1.5715 hours remaining, 206.238281 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: 3056000 717.6279 2108.5334 1939.4068 125.8503 -206075.2474 17937.6464 0.0000 0.0000 34235.2916 -149010.8910 298.9853 -183246.1826 -148914.5606 300.0394 230.2477 258.5929 555885.0366 4.3244 4.6992 PRESSURE: 3056200 19.0674 3.78236 61.8828 3.78289 126.662 79.6842 61.882 79.6847 232.357 GPRESSURE: 3056200 19.7088 -78.1716 77.6798 70.6456 184.262 184.295 105.327 14.393 274.277 PRESSAVG: 3056200 -52.2587 -4.24415 42.9945 -4.24418 -14.6469 24.561 42.9945 24.561 71.8072 GPRESSAVG: 3056200 -51.9013 -4.57003 42.798 -4.69217 -13.5912 23.4783 42.0505 22.4939 70.3919 TIMING: 3056200 CPU: 8871.02, 0.00290441/step Wall: 8871.02, 0.00290441/step, 1.56822 hours remaining, 206.238281 MB of memory in use. ENERGY: 3056200 693.4303 2124.7043 1949.4630 119.0920 -206089.1479 17863.3252 0.0000 0.0000 34198.7533 -149140.3798 298.6662 -183339.1331 -149049.0741 299.0989 126.0287 159.4162 556504.6402 1.6339 1.6332 LDB: ============= START OF LOAD BALANCING ============== 8874.49 LDB: ============== END OF LOAD BALANCING =============== 8874.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8874.49 LDB: ============= START OF LOAD BALANCING ============== 8874.78 LDB: Largest compute 4821 load 0.028086 is 23.8% of average load 0.117906 LDB: Average compute 0.001709 is 1.4% of average load 0.117906 LDB: TIME 8874.78 LOAD: AVG 0.117906 MAX 0.178583 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.375 MB LDB: TIME 8874.78 LOAD: AVG 0.117906 MAX 0.178583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.422 MB LDB: TIME 8874.78 LOAD: AVG 0.117906 MAX 0.178583 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8874.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8874.79 PRESSURE: 3056400 -72.1321 94.9201 -172.781 94.9183 246.557 53.7988 -172.78 53.7985 214.139 GPRESSURE: 3056400 59.5881 49.6118 -121.249 198.103 188.047 31.8153 -171.689 93.8869 241.851 PRESSAVG: 3056400 4.49115 21.2602 48.0597 21.2603 19.0742 -25.9716 48.0597 -25.9717 -44.6911 GPRESSAVG: 3056400 5.18158 22.678 47.9553 21.4172 18.5288 -25.8588 50.0736 -25.7377 -44.84 TIMING: 3056400 CPU: 8871.61, 0.00298451/step Wall: 8871.61, 0.00298451/step, 1.61131 hours remaining, 206.589844 MB of memory in use. ENERGY: 3056400 704.6559 2062.7330 1943.6823 129.5948 -205945.5005 17756.2058 0.0000 0.0000 34398.6211 -148950.0075 300.4117 -183348.6286 -148844.1056 299.3948 129.5213 163.1620 555936.0440 -7.0419 -7.0432 PRESSURE: 3056600 -248.256 56.9534 97.1034 56.953 -233.621 189.55 97.1038 189.549 -177.632 GPRESSURE: 3056600 -227.272 0.917434 124.169 59.1486 -129.615 182.533 59.5442 181.104 -206.667 PRESSAVG: 3056600 -57.5883 15.5771 30.0029 15.5771 25.3099 9.29228 30.0028 9.29233 29.4371 GPRESSAVG: 3056600 -57.233 14.9757 30.4031 15.123 25.4919 9.81145 28.5478 10.5864 29.1282 TIMING: 3056600 CPU: 8872.2, 0.00292628/step Wall: 8872.2, 0.00292628/step, 1.5797 hours remaining, 206.792969 MB of memory in use. ENERGY: 3056600 740.4116 2112.5191 1949.6688 120.4441 -205590.3414 17564.0588 0.0000 0.0000 34402.9029 -148700.3361 300.4491 -183103.2390 -148599.6496 300.4921 -219.8365 -187.8513 557813.4267 -0.9471 -0.8710 PRESSURE: 3056800 -181.373 180.106 85.4445 180.106 131.025 58.8664 85.4444 58.8658 -121.437 GPRESSURE: 3056800 -137.715 182.697 46.4872 78.5379 108.565 81.5661 178.492 83.3715 -44.055 PRESSAVG: 3056800 -34.4781 -14.5202 42.1535 -14.5201 1.63988 -13.1752 42.1535 -13.1752 35.7007 GPRESSAVG: 3056800 -35.9742 -14.8713 38.8155 -14.0266 1.52072 -13.3069 43.9839 -12.5341 37.6432 TIMING: 3056800 CPU: 8872.78, 0.00289651/step Wall: 8872.78, 0.00289651/step, 1.56347 hours remaining, 206.792969 MB of memory in use. ENERGY: 3056800 759.8069 2117.8462 1980.8792 114.0579 -205779.0488 17537.0014 0.0000 0.0000 34397.0380 -148872.4193 300.3979 -183269.4573 -148780.1825 300.8839 -57.2619 -24.4017 557888.2115 0.9542 1.0632 PRESSURE: 3057000 -343.132 -111.348 87.7935 -111.347 113.771 -356.109 87.7943 -356.109 86.0257 GPRESSURE: 3057000 -278.356 -88.1094 80.044 -77.5003 190.555 -309.708 96.3834 -380.77 43.1156 PRESSAVG: 3057000 -92.9334 23.6756 33.7134 23.6757 22.8429 20.1026 33.7132 20.1027 96.0211 GPRESSAVG: 3057000 -91.6404 21.8143 35.5482 25.3163 22.6885 19.8851 32.2933 18.2035 94.4531 TIMING: 3057000 CPU: 8873.36, 0.00291343/step Wall: 8873.36, 0.00291342/step, 1.57244 hours remaining, 206.792969 MB of memory in use. ENERGY: 3057000 725.9724 2107.5081 1978.6907 107.4717 -205895.0319 17683.7863 0.0000 0.0000 34519.5220 -148772.0807 301.4676 -183291.6027 -148677.3118 300.2172 -47.7784 -14.8950 557702.0157 8.6435 8.5004 PRESSURE: 3057200 -8.30134 -74.3587 88.1205 -74.3586 23.4416 -76.3809 88.1204 -76.3799 51.5431 GPRESSURE: 3057200 9.17438 -107.131 138.221 -19.7699 51.0148 -12.4141 20.0322 -91.4776 93.893 PRESSAVG: 3057200 -23.2732 39.5753 0.843948 39.5752 19.9819 -72.043 0.843944 -72.043 35.2361 GPRESSAVG: 3057200 -24.8322 40.7152 0.265345 39.9773 20.611 -70.5529 1.0921 -71.4866 36.0336 TIMING: 3057200 CPU: 8873.94, 0.00290194/step Wall: 8873.94, 0.00290194/step, 1.56608 hours remaining, 206.996094 MB of memory in use. ENERGY: 3057200 715.0968 2072.5591 1945.1855 117.1088 -205916.0643 17751.4951 0.0000 0.0000 34195.9538 -149118.6654 298.6418 -183314.6192 -149018.8279 299.3566 22.2278 51.3607 556464.3803 10.6482 10.6041 PRESSURE: 3057400 -266.848 36.8633 54.2452 36.8627 -67.4899 -6.72633 54.2456 -6.7276 -26.5566 GPRESSURE: 3057400 -249.165 92.093 42.6703 46.3893 -47.4611 72.3541 143.912 -76.5065 38.0252 PRESSAVG: 3057400 -117.772 42.0417 40.0341 42.0418 29.3127 -69.395 40.0341 -69.3949 63.0749 GPRESSAVG: 3057400 -117.888 42.9708 42.0871 40.2471 29.2847 -70.9876 38.1721 -68.2344 63.123 TIMING: 3057400 CPU: 8874.52, 0.00288356/step Wall: 8874.52, 0.00288356/step, 1.556 hours remaining, 206.996094 MB of memory in use. ENERGY: 3057400 806.3472 2039.0673 1959.6098 119.4863 -205669.6208 17559.5521 0.0000 0.0000 34290.8630 -148894.6952 299.4706 -183185.5582 -148806.4046 299.3392 -120.2981 -86.2003 557970.6123 -8.4614 -8.4934 PRESSURE: 3057600 -76.007 -66.7555 16.5709 -66.7544 -25.2674 -122.178 16.5719 -122.177 107.221 GPRESSURE: 3057600 -14.6207 -56.1795 -63.3082 -38.4548 -42.288 -125.282 64.0614 -69.8238 159.552 PRESSAVG: 3057600 -39.9381 4.31486 -72.8471 4.31489 -28.9778 10.6271 -72.8472 10.627 43.4159 GPRESSAVG: 3057600 -39.6256 2.7109 -73.4339 4.94528 -30.1159 10.3654 -70.527 9.98825 43.3885 TIMING: 3057600 CPU: 8875.1, 0.00288806/step Wall: 8875.1, 0.00288806/step, 1.55827 hours remaining, 206.996094 MB of memory in use. ENERGY: 3057600 768.2273 2143.6070 1971.8897 121.9046 -206204.0386 17872.7558 0.0000 0.0000 34450.6054 -148875.0488 300.8657 -183325.6542 -148778.0952 300.3537 1.9820 34.2143 557960.9808 -8.5000 -8.7843 PRESSURE: 3057800 0.179231 -78.4308 6.82129 -78.4298 133.273 59.9732 6.81951 59.9728 275.501 GPRESSURE: 3057800 -10.9353 -137.405 -12.258 -15.2494 211.042 163.85 13.0425 -69.6891 326.807 PRESSAVG: 3057800 39.8492 -8.18515 -16.3336 -8.18512 2.09166 -16.6286 -16.3335 -16.6286 43.7124 GPRESSAVG: 3057800 39.3269 -7.37032 -15.3322 -9.50825 3.08788 -16.0169 -20.2061 -16.4876 43.5118 TIMING: 3057800 CPU: 8875.67, 0.0028865/step Wall: 8875.67, 0.0028865/step, 1.55727 hours remaining, 206.996094 MB of memory in use. ENERGY: 3057800 751.4743 2102.4020 1952.8688 104.2472 -205894.4134 17863.0781 0.0000 0.0000 34097.3001 -149023.0429 297.7802 -183120.3430 -148929.2931 300.2447 136.3177 175.6378 555880.8818 28.5511 28.6422 PRESSURE: 3058000 77.5289 79.6237 152.048 79.6239 -221.775 -94.621 152.048 -94.6218 -128.038 GPRESSURE: 3058000 72.5139 226.948 171.725 11.6813 -138.922 -155.533 142.5 -79.5195 -122.896 PRESSAVG: 3058000 -47.0216 15.4603 36.1009 15.4604 24.4746 42.4856 36.1008 42.4857 25.8048 GPRESSAVG: 3058000 -46.3767 16.4794 34.9691 16.65 23.9013 39.5902 38.5309 43.7005 25.9401 TIMING: 3058000 CPU: 8876.25, 0.00290219/step Wall: 8876.25, 0.00290219/step, 1.56557 hours remaining, 206.996094 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: 3058000 736.0893 2092.9981 1960.4047 119.8546 -205584.6302 17554.3538 0.0000 0.0000 34157.5999 -148963.3297 298.3068 -183120.9296 -148864.5540 298.9275 -90.7613 -63.1014 557316.9196 1.0859 1.1549 PRESSURE: 3058200 -195.08 157.64 -105.161 157.641 -48.2203 16.1868 -105.162 16.1843 -163.682 GPRESSURE: 3058200 -178.088 187.538 -17.2316 128.932 -58.4614 18.0455 -213.742 -10.1983 -64.0211 PRESSAVG: 3058200 -18.1002 -24.7697 10.778 -24.7698 43.5796 12.8273 10.7781 12.8272 -6.09012 GPRESSAVG: 3058200 -18.541 -24.4022 10.4368 -24.7852 43.3084 16.2713 10.7788 13.213 -5.60009 TIMING: 3058200 CPU: 8876.84, 0.00294326/step Wall: 8876.84, 0.00294326/step, 1.58756 hours remaining, 206.996094 MB of memory in use. ENERGY: 3058200 737.0265 2098.4806 1992.5533 116.4633 -206115.0154 17681.5217 0.0000 0.0000 34515.7144 -148973.2557 301.4343 -183488.9700 -148882.5247 299.8306 -135.6607 -100.1902 556982.7666 6.4631 6.3891 PRESSURE: 3058400 -148.819 0.457249 39.6424 0.458596 -74.0632 161.844 39.6418 161.844 -143.175 GPRESSURE: 3058400 -72.4781 3.34231 107.597 -3.74204 -122.033 137.825 -0.016129 132.668 -83.6162 PRESSAVG: 3058400 -30.6612 -37.6731 -50.8882 -37.6732 41.2241 61.1586 -50.8883 61.1586 -7.57183 GPRESSAVG: 3058400 -30.5724 -37.0205 -49.5769 -39.4208 42.0362 60.2305 -49.0419 59.9617 -8.37465 TIMING: 3058400 CPU: 8877.43, 0.00292289/step Wall: 8877.43, 0.00292288/step, 1.57641 hours remaining, 206.996094 MB of memory in use. ENERGY: 3058400 736.7563 2118.7218 1954.0550 107.6608 -205739.5694 17439.2077 0.0000 0.0000 34439.1625 -148944.0053 300.7658 -183383.1678 -148845.6860 299.4410 -122.0191 -92.7092 558770.5472 0.9970 1.0297 PRESSURE: 3058600 89.3672 -71.7525 -149.153 -71.7509 -141.415 30.0445 -149.151 30.0452 382.583 GPRESSURE: 3058600 78.9212 -140.614 -108.165 -93.9348 -72.5603 43.9707 -198.499 27.9036 424.729 PRESSAVG: 3058600 21.126 -26.2309 22.7838 -26.2308 -113.12 17.9654 22.7838 17.9655 72.0209 GPRESSAVG: 3058600 21.9113 -28.5854 22.7295 -25.4308 -114.14 19.0562 22.2153 18.1772 72.397 TIMING: 3058600 CPU: 8878.01, 0.0029062/step Wall: 8878.01, 0.00290621/step, 1.56725 hours remaining, 206.996094 MB of memory in use. ENERGY: 3058600 761.8136 2080.9468 1978.8183 119.5517 -206345.6754 17953.3749 0.0000 0.0000 34372.8590 -149078.3111 300.1867 -183451.1701 -148979.2893 299.5804 110.1785 143.6965 558031.3689 -6.6578 -6.6107 PRESSURE: 3058800 -16.9472 32.5832 13.7412 32.5835 -123.375 12.8656 13.7406 12.866 43.717 GPRESSURE: 3058800 -5.09617 30.3338 -0.237818 36.4486 -73.5186 25.5627 7.95818 15.2648 73.0242 PRESSAVG: 3058800 13.6259 9.61062 13.0659 9.61064 -27.328 -13.0602 13.0659 -13.0601 7.9722 GPRESSAVG: 3058800 11.9401 8.99488 10.9564 12.409 -26.5288 -13.6816 12.0673 -13.3789 8.1229 TIMING: 3058800 CPU: 8878.59, 0.00291031/step Wall: 8878.59, 0.00291031/step, 1.5693 hours remaining, 206.996094 MB of memory in use. ENERGY: 3058800 744.1342 2181.0325 1931.2104 119.8570 -206297.4945 17872.6590 0.0000 0.0000 34357.6829 -149090.9185 300.0542 -183448.6013 -148997.1500 299.3930 -32.2019 -1.8635 558685.4231 -1.9100 -2.1552 PRESSURE: 3059000 -92.7861 -45.4325 43.0043 -45.4307 -114.834 117.265 43.0029 117.267 -36.934 GPRESSURE: 3059000 -59.457 65.4581 10.8021 -146.753 -122.318 75.3911 47.1753 172.925 22.4439 PRESSAVG: 3059000 23.2634 -39.3889 -30.6283 -39.389 -26.1705 74.7366 -30.6285 74.7365 -4.14364 GPRESSAVG: 3059000 23.5778 -38.6298 -29.601 -40.4209 -26.0858 76.0124 -31.3811 75.8231 -4.01393 TIMING: 3059000 CPU: 8879.17, 0.00290538/step Wall: 8879.17, 0.00290538/step, 1.56648 hours remaining, 206.996094 MB of memory in use. ENERGY: 3059000 768.4295 2120.6845 1970.1873 107.9780 -206235.9558 17884.5326 0.0000 0.0000 34229.3662 -149154.7778 298.9336 -183384.1440 -149054.5020 300.2057 -81.5182 -53.1103 558368.0478 -2.3502 -2.1740 PRESSURE: 3059200 -107.658 -95.4788 -154.105 -95.4791 17.9699 -82.8989 -154.105 -82.899 -151.864 GPRESSURE: 3059200 -84.2156 -22.9869 -195.747 -38.648 57.27 -80.9104 -108.132 -63.0745 -120.932 PRESSAVG: 3059200 -14.4591 -36.7576 -15.0891 -36.7575 -30.01 -11.9016 -15.0891 -11.9016 19.5762 GPRESSAVG: 3059200 -14.1987 -36.3159 -13.3409 -37.7648 -30.3375 -10.4553 -14.8674 -13.4876 19.0939 TIMING: 3059200 CPU: 8879.75, 0.00288294/step Wall: 8879.75, 0.00288294/step, 1.55422 hours remaining, 206.996094 MB of memory in use. ENERGY: 3059200 770.7022 2097.0140 1951.3171 112.4048 -205997.2519 17650.8096 0.0000 0.0000 34315.0455 -149099.9588 299.6818 -183415.0043 -149000.8783 299.5371 -80.5174 -49.2925 558775.2956 -8.2976 -8.4808 PRESSURE: 3059400 112.834 50.0505 -27.7499 50.049 -194.608 -3.3318 -27.7506 -3.33104 -376.148 GPRESSURE: 3059400 102.481 93.5684 36.1541 35.6725 -163.483 -31.9649 0.73883 -25.1151 -307.238 PRESSAVG: 3059400 48.6557 -34.0477 -13.7507 -34.0478 -57.3208 2.02864 -13.7506 2.02864 -65.9057 GPRESSAVG: 3059400 49.5674 -34.2146 -16.6082 -35.1351 -58.5801 -0.161705 -10.8643 3.75654 -65.7578 TIMING: 3059400 CPU: 8880.33, 0.00289219/step Wall: 8880.33, 0.00289219/step, 1.55905 hours remaining, 206.996094 MB of memory in use. ENERGY: 3059400 741.8693 2128.5943 1979.2202 115.9165 -206057.1490 17619.4005 0.0000 0.0000 34427.8503 -149044.2979 300.6670 -183472.1481 -148950.1842 299.3016 -152.6409 -122.7469 558809.0102 -24.8569 -24.9235 PRESSURE: 3059600 -190.792 -46.1125 -36.1577 -46.1117 126.628 -11.7868 -36.1586 -11.7868 111.862 GPRESSURE: 3059600 -130.297 94.1875 -83.8578 -74.8578 133.994 -14.8355 44.8528 38.7401 140.963 PRESSAVG: 3059600 -18.8661 22.8013 -87.2479 22.8013 33.8423 1.51063 -87.248 1.51077 -4.53435 GPRESSAVG: 3059600 -17.8339 25.1555 -86.8847 22.2473 33.1423 -0.275156 -87.7927 1.05782 -4.82478 TIMING: 3059600 CPU: 8880.9, 0.00288139/step Wall: 8880.9, 0.00288139/step, 1.55307 hours remaining, 206.996094 MB of memory in use. ENERGY: 3059600 730.9618 2123.8187 1978.1221 117.5474 -206488.9502 17929.3141 0.0000 0.0000 34429.8399 -149179.3461 300.6844 -183609.1860 -149086.2573 299.0490 15.8996 48.2199 556854.1073 3.4806 3.4945 PRESSURE: 3059800 57.2954 95.1486 62.0612 95.148 -114.79 -154.073 62.0618 -154.072 79.0885 GPRESSURE: 3059800 98.9285 73.9901 10.6419 129.313 -27.4726 -108.606 127.317 -204.316 46.5711 PRESSAVG: 3059800 47.2725 38.2911 4.78326 38.291 -59.1344 -22.9888 4.78317 -22.9888 -16.3381 GPRESSAVG: 3059800 46.0416 37.2069 6.40042 40.7117 -58.2279 -20.2222 5.59901 -23.1516 -16.2771 TIMING: 3059800 CPU: 8881.48, 0.00287737/step Wall: 8881.48, 0.00287737/step, 1.55074 hours remaining, 206.996094 MB of memory in use. ENERGY: 3059800 751.9152 2143.0086 1970.7872 110.2125 -206615.3119 18084.0848 0.0000 0.0000 34314.9655 -149240.3379 299.6811 -183555.3034 -149146.5482 298.8402 7.1981 39.3423 556744.3792 -9.4000 -9.4878 PRESSURE: 3060000 10.0039 142.687 233.185 142.685 119.633 158.976 233.186 158.977 -188.742 GPRESSURE: 3060000 37.6671 139.055 218.232 207.89 163.962 152.133 240.693 167.968 -154.713 PRESSAVG: 3060000 27.1696 79.6998 0.163537 79.6998 0.27962 60.5302 0.163505 60.5301 -14.9967 GPRESSAVG: 3060000 28.0187 78.3969 -1.17856 78.1944 -1.70314 60.7105 -1.13834 61.8245 -13.765 TIMING: 3060000 CPU: 8882.06, 0.00288927/step Wall: 8882.06, 0.00288927/step, 1.557 hours remaining, 206.996094 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: 3060000 732.9867 2031.7873 1961.7282 117.3854 -206323.9746 17839.7858 0.0000 0.0000 34362.6809 -149277.6204 300.0978 -183640.3014 -149181.2126 298.9979 -19.7017 15.6388 557149.2924 4.1508 4.1835 PRESSURE: 3060200 -458.474 64.506 -128.791 64.5064 -65.8772 227.535 -128.791 227.534 -103.993 GPRESSURE: 3060200 -378.541 86.6414 -117.216 50.8986 -72.4973 285.424 -88.5299 147.224 -86.2017 PRESSAVG: 3060200 -2.80763 17.5279 2.32585 17.5279 52.1712 24.3249 2.3258 24.3249 10.9775 GPRESSAVG: 3060200 -3.85441 16.9636 4.79411 19.454 54.0271 23.012 -0.178041 24.478 9.84181 TIMING: 3060200 CPU: 8882.63, 0.00289216/step Wall: 8882.63, 0.00289216/step, 1.55839 hours remaining, 206.996094 MB of memory in use. ENERGY: 3060200 755.7018 2085.0601 1941.3429 104.9871 -205813.7380 17455.4282 0.0000 0.0000 34098.3281 -149372.8897 297.7892 -183471.2178 -149276.4890 298.4331 -209.4481 -179.0799 556274.9903 20.1137 20.0048 LDB: ============= START OF LOAD BALANCING ============== 8886.1 LDB: ============== END OF LOAD BALANCING =============== 8886.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8886.1 LDB: ============= START OF LOAD BALANCING ============== 8886.39 LDB: Largest compute 4821 load 0.029678 is 25.2% of average load 0.117934 LDB: Average compute 0.001709 is 1.4% of average load 0.117934 LDB: TIME 8886.39 LOAD: AVG 0.117934 MAX 0.18094 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.277 MB LDB: TIME 8886.4 LOAD: AVG 0.117934 MAX 0.18094 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: TIME 8886.4 LOAD: AVG 0.117934 MAX 0.18094 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: ============== END OF LOAD BALANCING =============== 8886.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8886.4 PRESSURE: 3060400 23.4664 40.5017 -77.2549 40.5009 84.7993 28.203 -77.2548 28.2029 177.863 GPRESSURE: 3060400 80.6466 63.9111 -66.0098 -46.8246 139.237 108.518 -87.1934 -15.707 159.571 PRESSAVG: 3060400 12.9392 1.00172 2.55306 1.00168 -15.5958 37.0783 2.55309 37.0783 -21.3601 GPRESSAVG: 3060400 12.908 2.2947 4.4424 0.333636 -17.4549 37.0287 2.31408 36.7691 -20.0065 TIMING: 3060400 CPU: 8883.23, 0.00296153/step Wall: 8883.23, 0.00296153/step, 1.59561 hours remaining, 206.335938 MB of memory in use. ENERGY: 3060400 729.3175 2059.7742 1960.0619 98.1589 -206520.5736 17903.9621 0.0000 0.0000 34276.3133 -149492.9857 299.3436 -183769.2990 -149402.7594 298.0416 95.3764 126.4846 555771.6481 -8.0056 -8.1845 PRESSURE: 3060600 45.7021 -155.281 72.0598 -155.282 235.8 114.836 72.0602 114.835 57.4285 GPRESSURE: 3060600 89.102 -126.984 26.3167 -135.006 275.793 -28.9483 118.824 216.592 70.7208 PRESSAVG: 3060600 -83.8481 -41.5118 -11.8039 -41.5117 33.2264 -29.128 -11.8039 -29.1279 73.2647 GPRESSAVG: 3060600 -83.9217 -40.7493 -14.7139 -43.5272 34.0155 -30.0987 -11.0743 -27.8632 72.8883 TIMING: 3060600 CPU: 8883.81, 0.00290535/step Wall: 8883.81, 0.00290535/step, 1.56518 hours remaining, 206.335938 MB of memory in use. ENERGY: 3060600 707.2746 2063.1300 1957.8350 119.5035 -206686.7532 17886.5755 0.0000 0.0000 34282.3530 -149670.0816 299.3963 -183952.4346 -149569.2870 298.5288 112.9770 145.2054 554303.3773 7.5477 7.6607 PRESSURE: 3060800 509.985 3.6592 69.3579 3.65916 215.072 -195.306 69.3573 -195.305 156.582 GPRESSURE: 3060800 453.243 -12.3655 101.963 6.36724 276.076 -100.729 34.9891 -165.602 243.394 PRESSAVG: 3060800 -0.392245 -14.0109 22.223 -14.011 -10.5305 -34.2519 22.2229 -34.2519 9.21391 GPRESSAVG: 3060800 -0.498559 -14.0143 22.4925 -13.4054 -11.1556 -31.9185 24.7006 -35.0405 9.71938 TIMING: 3060800 CPU: 8884.38, 0.00287122/step Wall: 8884.38, 0.00287122/step, 1.54663 hours remaining, 206.335938 MB of memory in use. ENERGY: 3060800 735.0264 2088.2305 1971.5620 108.7858 -206912.7274 18400.5514 0.0000 0.0000 34268.5161 -149340.0551 299.2755 -183608.5712 -149238.0431 298.9143 293.8798 324.2374 555262.8601 -0.5696 -0.6449 PRESSURE: 3061000 -38.3221 98.1641 16.4781 98.1648 -55.784 -128.27 16.4787 -128.27 -115.325 GPRESSURE: 3061000 -47.2573 121.842 -22.518 68.6084 22.0602 -98.51 90.4677 -139.049 -86.2414 PRESSAVG: 3061000 85.9323 11.8798 16.8976 11.8798 -14.5885 -5.8579 16.8976 -5.85785 -38.2222 GPRESSAVG: 3061000 85.8863 11.4458 17.874 13.2434 -13.9334 -7.559 14.517 -6.32781 -38.9773 TIMING: 3061000 CPU: 8884.96, 0.00287826/step Wall: 8884.96, 0.00287826/step, 1.55026 hours remaining, 206.335938 MB of memory in use. ENERGY: 3061000 763.5012 2154.7910 1935.5185 117.2809 -205774.1314 17479.9648 0.0000 0.0000 34100.9636 -149222.1115 297.8122 -183323.0751 -149129.6025 298.8368 -69.8102 -37.1462 557049.9033 11.0405 10.9919 PRESSURE: 3061200 31.0313 -72.7603 143.487 -72.7599 47.8116 27.2104 143.487 27.2102 239.316 GPRESSURE: 3061200 49.7795 -47.4017 114.574 -68.0008 78.2141 64.4677 102.842 -8.24488 281.952 PRESSAVG: 3061200 -0.364995 -45.958 11.601 -45.958 18.6594 -42.7186 11.6009 -42.7187 -49.0085 GPRESSAVG: 3061200 0.529387 -47.0083 11.8691 -46.8255 18.1009 -42.6168 10.8517 -42.1878 -49.7233 TIMING: 3061200 CPU: 8885.53, 0.00287742/step Wall: 8885.53, 0.00287742/step, 1.54965 hours remaining, 206.335938 MB of memory in use. ENERGY: 3061200 763.6206 2145.9042 1971.4256 114.1582 -206359.9381 18074.0863 0.0000 0.0000 34228.4568 -149062.2866 298.9256 -183290.7433 -148963.5603 298.9807 106.0530 136.6484 558774.9473 -10.2380 -10.3644 PRESSURE: 3061400 -193.743 152.936 -11.7449 152.935 -403.51 88.7316 -11.7452 88.7305 -73.5344 GPRESSURE: 3061400 -143.294 167.019 1.09951 144.718 -328.198 29.5436 -91.1591 61.3605 -98.8717 PRESSAVG: 3061400 -20.7119 15.8915 65.3524 15.8915 -25.0345 10.7639 65.3525 10.7639 40.2664 GPRESSAVG: 3061400 -20.4021 13.9407 63.217 17.9183 -25.0744 12.0291 68.3711 7.41431 39.5316 TIMING: 3061400 CPU: 8886.11, 0.00289657/step Wall: 8886.11, 0.00289657/step, 1.5598 hours remaining, 206.335938 MB of memory in use. ENERGY: 3061400 755.4876 2114.3566 1960.7587 116.0812 -205924.6397 17382.3227 0.0000 0.0000 34387.2057 -149208.4271 300.3120 -183595.6328 -149108.5275 299.9755 -223.5958 -190.1214 557147.1530 -1.8267 -1.9816 PRESSURE: 3061600 155.2 0.869674 -32.0783 0.869803 2.22048 65.9312 -32.0796 65.9316 201.055 GPRESSURE: 3061600 174 -40.0282 -31.9224 -10.2857 48.7075 63.5911 -13.7872 29.8673 241.307 PRESSAVG: 3061600 27.0491 19.8005 15.3786 19.8005 -60.004 67.0297 15.3786 67.0298 76.6821 GPRESSAVG: 3061600 25.1359 23.6176 15.0767 17.3416 -59.9862 65.5161 14.0382 70.6947 78.3803 TIMING: 3061600 CPU: 8886.69, 0.00290728/step Wall: 8886.69, 0.00290728/step, 1.56541 hours remaining, 206.335938 MB of memory in use. ENERGY: 3061600 729.9317 2174.2389 1945.6796 113.1114 -206284.9165 17875.8768 0.0000 0.0000 34151.1553 -149294.9227 298.2505 -183446.0781 -149196.5737 298.6934 119.4918 154.6718 557384.9413 14.5757 14.5100 PRESSURE: 3061800 -181.126 -191.978 42.1092 -191.978 36.1413 -18.8617 42.1077 -18.862 -209.987 GPRESSURE: 3061800 -124.894 -48.8328 -35.2991 -249.777 38.5508 -59.8267 19.3495 -48.5864 -166.313 PRESSAVG: 3061800 -8.02795 -36.1898 7.63924 -36.1898 -72.4169 19.4356 7.63922 19.4356 23.0979 GPRESSAVG: 3061800 -6.98595 -36.4599 10.4037 -34.3455 -71.7224 18.5451 9.89575 19.4432 20.703 TIMING: 3061800 CPU: 8887.28, 0.00291382/step Wall: 8887.28, 0.00291382/step, 1.56877 hours remaining, 206.593750 MB of memory in use. ENERGY: 3061800 739.2429 2115.4693 1972.0579 126.8708 -206147.4708 17780.9488 0.0000 0.0000 34218.1258 -149194.7554 298.8354 -183412.8811 -149098.7301 298.8982 -118.3239 -84.2186 558760.6031 -19.1157 -19.3351 PRESSURE: 3062000 263.657 -80.1514 75.2582 -80.1513 -41.0334 89.8121 75.2586 89.8112 -46.0336 GPRESSURE: 3062000 254.027 -36.754 98.7057 -147.545 -12.6939 142.798 19.8307 91.0957 38.7509 PRESSAVG: 3062000 5.39117 -43.8973 71.302 -43.8973 -58.7269 28.4674 71.302 28.4675 48.283 GPRESSAVG: 3062000 4.32043 -42.3962 69.1443 -44.5869 -59.6278 27.3416 68.973 27.6903 50.8228 TIMING: 3062000 CPU: 8887.86, 0.00293184/step Wall: 8887.86, 0.00293184/step, 1.57831 hours remaining, 206.593750 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: 3062000 784.2921 2149.7765 1956.8353 100.9842 -206396.9207 18050.8336 0.0000 0.0000 34275.7949 -149078.4040 299.3390 -183354.1989 -148981.9171 299.5490 58.8633 93.3614 557836.7457 -1.6843 -1.4949 PRESSURE: 3062200 16.7774 -149.407 111.094 -149.407 -57.0856 64.3207 111.094 64.3206 82.9492 GPRESSURE: 3062200 43.4278 -179.769 182.805 -50.3622 -30.452 85.5649 52.7861 103.278 138.762 PRESSAVG: 3062200 33.1649 18.6585 -9.0973 18.6584 -35.8065 16.4199 -9.09727 16.4198 -18.159 GPRESSAVG: 3062200 34.6311 16.0186 -10.352 19.4933 -35.8796 17.8213 -6.90544 16.5224 -19.7551 TIMING: 3062200 CPU: 8888.45, 0.00294142/step Wall: 8888.45, 0.00294142/step, 1.5833 hours remaining, 206.593750 MB of memory in use. ENERGY: 3062200 758.2294 2051.0994 1952.6264 121.2783 -206202.3491 17769.9963 0.0000 0.0000 34332.8343 -149216.2851 299.8372 -183549.1193 -149117.1332 299.4241 14.2136 50.5791 557069.5357 -6.9336 -7.0012 PRESSURE: 3062400 -0.0755387 -36.3931 -2.36319 -36.3939 -129.83 97.6923 -2.36427 97.691 -222.341 GPRESSURE: 3062400 1.08181 -97.5343 -4.2633 -62.3374 -81.5835 104.142 -49.4687 151.876 -179.412 PRESSAVG: 3062400 -39.1846 23.1296 -15.5125 23.1297 26.3628 18.6994 -15.5123 18.6993 17.9488 GPRESSAVG: 3062400 -39.3614 25.3936 -15.2079 23.1373 27.309 18.5637 -16.2325 19.4996 17.4848 TIMING: 3062400 CPU: 8889.03, 0.00291857/step Wall: 8889.03, 0.00291857/step, 1.57084 hours remaining, 206.593750 MB of memory in use. ENERGY: 3062400 759.7381 2129.1319 1972.2996 101.2654 -206238.9582 17642.9830 0.0000 0.0000 34396.9496 -149236.5905 300.3971 -183633.5402 -149141.6800 300.0156 -117.4155 -86.6380 557540.5239 1.7090 1.8108 PRESSURE: 3062600 79.0784 -5.7803 157.88 -5.78041 -134.832 -41.6 157.88 -41.5996 38.1455 GPRESSURE: 3062600 67.5284 -13.3201 78.7632 27.1006 -112.053 -34.8678 171.198 19.0051 120.501 PRESSAVG: 3062600 1.02267 8.66711 -17.6378 8.66719 -50.0357 41.2056 -17.6378 41.2056 86.7893 GPRESSAVG: 3062600 0.852845 7.59383 -17.0831 8.79946 -50.1767 40.5631 -17.3019 39.8149 87.0314 TIMING: 3062600 CPU: 8889.62, 0.00291949/step Wall: 8889.62, 0.00291949/step, 1.57117 hours remaining, 206.593750 MB of memory in use. ENERGY: 3062600 739.0487 2097.9303 1958.7674 120.1038 -206194.3970 17746.7712 0.0000 0.0000 34318.1938 -149213.5817 299.7093 -183531.7756 -149122.6889 299.9601 -5.8695 25.3256 556700.5149 12.5921 12.5692 PRESSURE: 3062800 218.045 -101.383 67.8575 -101.384 -10.2707 160.929 67.8563 160.929 46.2069 GPRESSURE: 3062800 230.775 -29.6421 53.0216 -72.1589 11.9639 174.583 35.9491 119.525 111.337 PRESSAVG: 3062800 39.7628 16.2597 59.6671 16.2597 -87.4535 20.436 59.6672 20.436 60.5931 GPRESSAVG: 3062800 39.997 15.4244 60.6303 15.5813 -87.7398 20.7413 58.4469 22.0519 60.7299 TIMING: 3062800 CPU: 8890.2, 0.00290753/step Wall: 8890.2, 0.00290753/step, 1.56457 hours remaining, 206.593750 MB of memory in use. ENERGY: 3062800 780.9275 2059.8171 1986.1516 130.6156 -206511.8592 18037.0799 0.0000 0.0000 34260.4088 -149256.8586 299.2047 -183517.2674 -149157.2320 299.5745 84.6603 118.0250 556393.4598 4.3008 4.3291 PRESSURE: 3063000 -292.718 51.4981 -101.382 51.4978 -287.82 95.4457 -101.382 95.4473 71.1629 GPRESSURE: 3063000 -241.618 116.581 -44.4656 -42.1908 -298.761 35.7403 -87.1363 76.4642 120.561 PRESSAVG: 3063000 21.1552 14.8887 13.7724 14.8886 -12.543 54.3986 13.7723 54.3986 1.93982 GPRESSAVG: 3063000 20.6036 14.9994 11.3742 15.3609 -13.0014 53.8122 13.9675 53.8035 2.51929 TIMING: 3063000 CPU: 8890.78, 0.00292272/step Wall: 8890.78, 0.00292272/step, 1.57258 hours remaining, 206.593750 MB of memory in use. ENERGY: 3063000 743.5227 2095.6258 1976.2453 116.0622 -205946.1576 17598.7016 0.0000 0.0000 34173.1458 -149242.8542 298.4426 -183416.0000 -149147.3020 299.7244 -169.7915 -139.9395 558080.0332 3.5173 3.3738 PRESSURE: 3063200 -174.2 101.837 195.551 101.838 -39.0686 75.9437 195.55 75.9437 -113.104 GPRESSURE: 3063200 -172.949 113.577 246.989 87.0265 33.3801 92.9494 137.543 167.937 -104.732 PRESSAVG: 3063200 42.1872 -3.26177 66.4144 -3.26177 -39.3017 3.66213 66.4144 3.66211 1.81919 GPRESSAVG: 3063200 41.3389 -4.37407 68.0572 -1.8915 -38.5803 3.72253 65.9714 2.90759 1.21376 TIMING: 3063200 CPU: 8891.37, 0.00292381/step Wall: 8891.37, 0.00292381/step, 1.57301 hours remaining, 206.593750 MB of memory in use. ENERGY: 3063200 774.7138 2160.0334 1974.3372 118.7424 -206665.6671 17926.5527 0.0000 0.0000 34464.3976 -149246.8899 300.9862 -183711.2875 -149146.3275 299.8306 -108.7907 -81.4337 559495.6765 1.5682 1.3241 PRESSURE: 3063400 -276.973 -22.9599 -39.7973 -22.9585 -235.631 -105.855 -39.7973 -105.855 -234.888 GPRESSURE: 3063400 -255.249 0.766899 -47.4694 -108.977 -168.311 -104.812 52.8021 -35.1605 -210.497 PRESSAVG: 3063400 26.9531 -53.991 30.3164 -53.991 -14.8401 5.83949 30.3164 5.83952 5.88963 GPRESSAVG: 3063400 28.1954 -54.3303 28.927 -54.8327 -15.4401 5.15653 30.68 8.22805 5.13012 TIMING: 3063400 CPU: 8891.96, 0.00293126/step Wall: 8891.96, 0.00293126/step, 1.57685 hours remaining, 206.593750 MB of memory in use. ENERGY: 3063400 747.4211 2086.0462 1982.3367 110.0623 -206016.8588 17575.6487 0.0000 0.0000 34179.2721 -149336.0717 298.4961 -183515.3439 -149234.0581 298.9561 -249.1638 -211.3525 558875.6532 6.0009 5.9618 PRESSURE: 3063600 -30.0424 -27.4808 -37.9538 -27.4803 -99.5794 55.1721 -37.9525 55.1716 -183.072 GPRESSURE: 3063600 -6.82433 -77.4885 -107.504 -14.4888 -66.878 10.3993 -45.9254 45.2056 -139.035 PRESSAVG: 3063600 -58.5897 -7.74874 15.6229 -7.74869 -10.2191 35.524 15.623 35.524 85.3861 GPRESSAVG: 3063600 -59.4159 -5.25539 16.7522 -9.57251 -10.4021 35.7708 16.0786 31.9623 86.4659 TIMING: 3063600 CPU: 8892.55, 0.00295576/step Wall: 8892.55, 0.00295576/step, 1.58987 hours remaining, 206.593750 MB of memory in use. ENERGY: 3063600 751.0728 2133.2756 1975.5035 117.1611 -206409.5226 17785.9895 0.0000 0.0000 34211.4522 -149435.0680 298.7771 -183646.5201 -149339.6016 298.4950 -104.2312 -70.9126 556887.5085 5.5258 5.5493 PRESSURE: 3063800 -23.0972 0.885333 -94.7817 0.885157 216.917 117.86 -94.7817 117.859 286.975 GPRESSURE: 3063800 2.67776 13.8382 -91.4286 52.5366 246.491 27.6284 -88.3339 25.0794 323.726 PRESSAVG: 3063800 -37.772 -69.5097 22.3152 -69.5096 8.66719 -23.2768 22.3152 -23.2768 60.9453 GPRESSAVG: 3063800 -38.278 -70.2826 21.2584 -66.2097 8.87548 -22.7251 22.0088 -20.5451 60.4985 TIMING: 3063800 CPU: 8893.13, 0.00290655/step Wall: 8893.13, 0.00290655/step, 1.56324 hours remaining, 206.593750 MB of memory in use. ENERGY: 3063800 723.1891 2195.2870 1980.1987 108.2131 -206525.1574 18030.4645 0.0000 0.0000 34162.7787 -149325.0263 298.3520 -183487.8051 -149233.7938 298.3727 160.2648 190.9647 555666.8014 10.6135 10.3653 PRESSURE: 3064000 38.497 150.821 103.466 150.821 59.082 37.3457 103.463 37.3453 66.9165 GPRESSURE: 3064000 13.5808 168.274 134.017 91.7402 170.088 91.9798 121.218 10.6542 74.7296 PRESSAVG: 3064000 -29.4788 -5.45621 7.48024 -5.45626 45.6594 2.68504 7.48016 2.68503 -10.9388 GPRESSAVG: 3064000 -29.5657 -4.05593 8.07915 -9.3954 44.4958 1.91669 6.60892 3.59033 -9.66504 TIMING: 3064000 CPU: 8893.71, 0.0029037/step Wall: 8893.71, 0.0029037/step, 1.56154 hours remaining, 206.593750 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: 3064000 772.1835 2115.5603 1954.0264 136.8035 -206288.6759 17844.4097 0.0000 0.0000 34129.0753 -149336.6171 298.0577 -183465.6924 -149241.2416 298.7811 54.8319 86.1328 556757.6753 1.7473 1.7550 PRESSURE: 3064200 155.215 215.748 106.088 215.749 -88.2433 -28.1011 106.089 -28.1012 -152.717 GPRESSURE: 3064200 172.294 167.794 -33.935 206.136 -76.7506 -31.6407 234.702 -65.4241 -84.3581 PRESSAVG: 3064200 -0.0665964 -31.9984 12.7006 -31.9983 66.4742 34.5025 12.7006 34.5027 -74.2607 GPRESSAVG: 3064200 0.166321 -34.3852 10.2804 -28.9854 68.1375 38.5734 13.7181 32.5239 -75.9842 TIMING: 3064200 CPU: 8894.29, 0.00292423/step Wall: 8894.29, 0.00292423/step, 1.57242 hours remaining, 206.593750 MB of memory in use. ENERGY: 3064200 798.0257 2060.1207 1975.5639 119.1408 -206678.2306 18068.4326 0.0000 0.0000 34119.6706 -149537.2763 297.9756 -183656.9469 -149444.8492 299.0767 -28.5818 3.7284 556840.2373 -2.6177 -2.5601 LDB: ============= START OF LOAD BALANCING ============== 8897.76 LDB: ============== END OF LOAD BALANCING =============== 8897.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8897.76 LDB: ============= START OF LOAD BALANCING ============== 8898.06 LDB: Largest compute 4821 load 0.030191 is 25.6% of average load 0.117792 LDB: Average compute 0.001702 is 1.4% of average load 0.117792 LDB: TIME 8898.06 LOAD: AVG 0.117792 MAX 0.180387 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 8898.06 LOAD: AVG 0.117792 MAX 0.180387 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: TIME 8898.06 LOAD: AVG 0.117792 MAX 0.180387 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8898.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8898.06 PRESSURE: 3064400 -126.587 41.6079 -148.426 41.6076 -357.895 5.32455 -148.424 5.32245 -234.957 GPRESSURE: 3064400 -79.2829 12.6704 -75.3342 63.6709 -337.344 91.9956 -149.77 -30.8614 -211.119 PRESSAVG: 3064400 121.107 12.7811 -29.5705 12.7811 -57.1931 -3.94399 -29.5706 -3.94409 -6.55045 GPRESSAVG: 3064400 121.978 14.5421 -27.8277 10.388 -57.8301 -5.94877 -29.5224 -4.45025 -6.8512 TIMING: 3064400 CPU: 8894.89, 0.00298123/step Wall: 8894.89, 0.00298123/step, 1.60291 hours remaining, 207.417969 MB of memory in use. ENERGY: 3064400 763.2582 2113.1300 1972.2920 107.5103 -205656.7863 17385.1664 0.0000 0.0000 33892.9192 -149422.5102 295.9953 -183315.4294 -149324.7395 299.0142 -239.8132 -209.2488 557850.7674 19.1213 19.0989 PRESSURE: 3064600 211.557 7.22036 3.93934 7.22167 240.862 -11.0271 3.93845 -11.0271 134.376 GPRESSURE: 3064600 220.069 31.1046 50.1786 1.6191 287.502 -122.099 -54.4327 40.0382 176.78 PRESSAVG: 3064600 56.6318 -10.8493 12.3171 -10.8493 23.5346 4.84385 12.317 4.84393 -58.1701 GPRESSAVG: 3064600 55.2122 -11.5364 13.3672 -11.1607 22.9978 6.00954 11.7848 5.94128 -56.0559 TIMING: 3064600 CPU: 8895.48, 0.00293371/step Wall: 8895.48, 0.00293371/step, 1.57719 hours remaining, 207.621094 MB of memory in use. ENERGY: 3064600 720.6782 2206.8330 1955.2927 129.0952 -206885.2025 18173.5854 0.0000 0.0000 34401.7460 -149297.9720 300.4390 -183699.7180 -149203.9196 298.7013 195.5983 228.1171 555080.6434 7.3321 7.3847 PRESSURE: 3064800 146.822 67.8203 8.16433 67.8187 -7.56297 -81.1709 8.16496 -81.1715 -7.56829 GPRESSURE: 3064800 105.018 96.8383 51.8517 48.6617 34.0212 -97.3012 22.3404 -47.0001 74.8518 PRESSAVG: 3064800 82.6171 -15.9581 -38.7761 -15.9581 -54.2012 1.17595 -38.7762 1.17597 -49.1777 GPRESSAVG: 3064800 82.8241 -18.3171 -39.3477 -13.9403 -53.9785 1.17888 -39.5425 -0.56868 -49.4513 TIMING: 3064800 CPU: 8896.06, 0.00292533/step Wall: 8896.06, 0.00292533/step, 1.57253 hours remaining, 207.621094 MB of memory in use. ENERGY: 3064800 759.9620 2137.7289 1930.4055 108.8905 -205964.5562 17804.2974 0.0000 0.0000 34226.7645 -148996.5073 298.9108 -183223.2719 -148903.2189 298.4863 43.8969 71.2971 558467.9318 -6.9206 -6.8686 PRESSURE: 3065000 126.469 60.4221 -122.83 60.4235 104.023 -188.972 -122.831 -188.972 88.5913 GPRESSURE: 3065000 177.929 53.6665 -151.305 -11.8341 89.3905 -150.475 -25.9579 -153.627 145.643 PRESSAVG: 3065000 44.8939 9.84408 -36.6317 9.84406 14.0813 -65.0092 -36.6318 -65.0091 -37.1839 GPRESSAVG: 3065000 45.4735 10.5199 -35.6092 7.47411 14.1844 -68.2321 -35.6461 -64.0026 -38.1959 TIMING: 3065000 CPU: 8896.65, 0.00291934/step Wall: 8896.65, 0.00291934/step, 1.56915 hours remaining, 207.621094 MB of memory in use. ENERGY: 3065000 732.5094 2083.8456 1950.7737 108.0681 -206193.8073 17945.2188 0.0000 0.0000 34361.2798 -149012.1118 300.0856 -183373.3915 -148909.4755 299.6724 106.3609 137.6542 556823.2084 7.2638 7.1540 PRESSURE: 3065200 -143.996 -21.3532 -182.485 -21.3542 6.08612 98.7672 -182.484 98.7687 267.692 GPRESSURE: 3065200 -146.871 -65.6937 -153.778 16.4564 18.6799 118.103 -124.133 83.1667 341.036 PRESSAVG: 3065200 15.4002 -0.775613 -39.1765 -0.775693 -34.5064 9.60672 -39.1765 9.60673 12.9193 GPRESSAVG: 3065200 15.708 -1.38656 -39.634 0.426967 -35.5315 12.289 -40.2442 9.31427 13.9997 TIMING: 3065200 CPU: 8897.23, 0.00292042/step Wall: 8897.23, 0.00292041/step, 1.56956 hours remaining, 207.621094 MB of memory in use. ENERGY: 3065200 709.8506 2100.4256 1981.0092 115.7182 -206026.1749 17738.5534 0.0000 0.0000 34269.5378 -149111.0800 299.2844 -183380.6178 -149010.8204 299.3031 43.2607 70.9481 557704.3644 -2.0623 -1.9413 PRESSURE: 3065400 295.111 41.8654 -43.4922 41.8662 190.571 6.00927 -43.4933 6.01122 -101.653 GPRESSURE: 3065400 277.083 31.7928 63.7752 80.5359 254.655 -37.8068 -95.6322 87.1811 -63.3635 PRESSAVG: 3065400 7.19341 13.202 -47.8309 13.2018 -43.7037 28.524 -47.8309 28.5241 33.604 GPRESSAVG: 3065400 6.84438 14.5525 -45.2631 12.1702 -43.5925 27.6774 -49.8424 27.3585 33.685 TIMING: 3065400 CPU: 8897.81, 0.0029159/step Wall: 8897.81, 0.0029159/step, 1.56697 hours remaining, 207.621094 MB of memory in use. ENERGY: 3065400 701.5319 2099.2968 1954.3725 105.3862 -206274.9355 18121.7439 0.0000 0.0000 34197.1620 -149095.4422 298.6523 -183292.6042 -149001.6583 299.3117 128.0098 156.1248 558579.6330 -0.9688 -1.0211 PRESSURE: 3065600 -225.211 -10.7053 29.4739 -10.7043 -5.51495 44.305 29.4741 44.3038 -232.596 GPRESSURE: 3065600 -162.266 18.8579 39.2001 -34.1115 -66.6171 -111.508 27.6726 171.367 -146.945 PRESSAVG: 3065600 6.06556 -2.67005 -43.5404 -2.67008 60.7572 15.9119 -43.5404 15.9119 -26.9789 GPRESSAVG: 3065600 5.95082 -1.94717 -47.1935 -2.86774 60.7241 14.5704 -40.1642 19.2226 -26.8834 TIMING: 3065600 CPU: 8898.39, 0.00290249/step Wall: 8898.39, 0.00290249/step, 1.5596 hours remaining, 207.621094 MB of memory in use. ENERGY: 3065600 795.1495 2064.3086 1968.8099 112.3729 -205895.2351 17549.2999 0.0000 0.0000 34155.9901 -149249.3042 298.2928 -183405.2943 -149153.8099 298.9896 -154.4408 -125.2761 557867.6353 13.2813 13.2638 PRESSURE: 3065800 -223.765 49.6865 37.3957 49.6875 140.307 80.4567 37.3955 80.4547 -37.6336 GPRESSURE: 3065800 -205.925 27.5016 13.7275 31.4108 161.431 16.0312 57.5942 23.5628 12.2488 PRESSAVG: 3065800 -26.0749 19.9422 -31.1129 19.9422 57.708 31.174 -31.113 31.1741 -12.6671 GPRESSAVG: 3065800 -26.5396 19.1158 -31.6305 20.4213 58.5961 32.9398 -32.0301 30.4607 -12.4703 TIMING: 3065800 CPU: 8898.98, 0.00291677/step Wall: 8898.98, 0.00291677/step, 1.56712 hours remaining, 207.621094 MB of memory in use. ENERGY: 3065800 746.3255 2076.2157 1956.3956 116.2162 -205983.0156 17698.1147 0.0000 0.0000 34127.2059 -149262.5422 298.0414 -183389.7481 -149172.1214 298.8203 -40.3639 -10.7484 557675.5277 6.3220 6.5287 PRESSURE: 3066000 5.70069 29.9199 -45.5777 29.9203 151.279 -84.5817 -45.5774 -84.5815 0.293189 GPRESSURE: 3066000 113.388 10.1085 17.7508 -1.64172 81.5944 -58.9091 -50.4473 -1.3897 63.9221 PRESSAVG: 3066000 -11.6666 -74.2959 0.312901 -74.2959 -0.0423212 -25.7572 0.312874 -25.7572 10.0561 GPRESSAVG: 3066000 -10.8656 -74.1037 1.35309 -73.1716 -0.894643 -25.9739 1.55391 -28.2303 10.1388 TIMING: 3066000 CPU: 8899.56, 0.00292421/step Wall: 8899.56, 0.00292421/step, 1.57095 hours remaining, 207.621094 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: 3066000 712.1136 2008.3685 1958.5704 100.1942 -205916.1989 17785.3998 0.0000 0.0000 33963.0309 -149388.5216 296.6076 -183351.5524 -149295.3644 298.2912 52.4243 86.3014 558277.9759 -0.5509 -0.5405 PRESSURE: 3066200 -82.9342 -208.979 -63.6208 -208.979 -109.832 24.3159 -63.6207 24.3166 81.6803 GPRESSURE: 3066200 -39.5342 -163.271 -111.026 -192.584 -81.4691 12.4801 55.3422 24.9317 98.5213 PRESSAVG: 3066200 -19.4225 -32.828 9.96009 -32.8281 -11.2848 7.71171 9.96007 7.7117 32.9335 GPRESSAVG: 3066200 -19.2019 -32.9034 9.07363 -33.1715 -10.8947 8.21066 10.4459 9.82852 32.8147 TIMING: 3066200 CPU: 8900.15, 0.00292269/step Wall: 8900.15, 0.00292269/step, 1.56997 hours remaining, 207.621094 MB of memory in use. ENERGY: 3066200 748.3807 2038.4893 1975.6074 117.5073 -206130.3807 17666.3610 0.0000 0.0000 34351.3927 -149232.6424 299.9993 -183584.0351 -149137.7026 298.4567 -37.0285 -7.4940 558589.6265 0.7421 0.9060 PRESSURE: 3066400 149.273 -92.2346 -65.7582 -92.233 212.386 23.5575 -65.7574 23.5581 190.581 GPRESSURE: 3066400 163.644 -106.587 -41.0457 -7.37383 220.297 62.5052 -66.411 3.92647 256.709 PRESSAVG: 3066400 -96.6528 -6.86151 67.0843 -6.86151 43.603 10.9572 67.0844 10.9571 41.1392 GPRESSAVG: 3066400 -96.6733 -6.49547 67.3746 -7.47119 43.6826 12.0599 64.8258 9.75714 41.0511 TIMING: 3066400 CPU: 8900.73, 0.00291657/step Wall: 8900.73, 0.00291657/step, 1.56652 hours remaining, 207.621094 MB of memory in use. ENERGY: 3066400 712.6982 2115.9815 1949.2715 105.1202 -206580.6163 18287.4856 0.0000 0.0000 33991.4119 -149418.6474 296.8555 -183410.0593 -149332.1826 298.7010 184.0799 213.5499 559315.8532 -3.9702 -3.9799 PRESSURE: 3066600 -114.704 33.5982 128.653 33.5998 -104.171 -66.524 128.652 -66.5254 24.9224 GPRESSURE: 3066600 -71.6959 59.6858 113.993 -25.2739 -90.172 -16.6677 113.618 -46.3563 67.3115 PRESSAVG: 3066600 -101.658 9.09199 60.9436 9.09197 -40.6962 -10.3238 60.9436 -10.3238 68.6505 GPRESSAVG: 3066600 -102.693 10.4726 62.6421 8.44847 -40.6005 -11.5974 60.2034 -8.16905 69.5904 TIMING: 3066600 CPU: 8901.31, 0.00290779/step Wall: 8901.31, 0.00290779/step, 1.56165 hours remaining, 207.621094 MB of memory in use. ENERGY: 3066600 775.9713 2102.5517 1962.0721 116.7272 -206199.9078 17793.2311 0.0000 0.0000 33814.4977 -149634.8568 295.3104 -183449.3545 -149554.0922 297.6245 -64.6509 -31.5188 558775.4190 -24.5680 -24.5676 PRESSURE: 3066800 67.1812 -31.3951 -13.985 -31.3939 257.686 -5.72842 -13.9859 -5.72683 82.7345 GPRESSURE: 3066800 124.856 57.5532 -19.9522 -92.3507 235.303 60.3655 -9.41483 -86.763 150.662 PRESSAVG: 3066800 -43.1488 -19.3835 85.8452 -19.3834 16.6053 40.6555 85.8452 40.6555 40.6996 GPRESSAVG: 3066800 -42.802 -21.1688 85.499 -16.6799 16.15 42.798 87.4495 37.1187 40.8324 TIMING: 3066800 CPU: 8901.89, 0.0029172/step Wall: 8901.89, 0.0029172/step, 1.56654 hours remaining, 207.621094 MB of memory in use. ENERGY: 3066800 739.9908 2059.9625 1925.9254 106.0555 -206941.1327 18216.1192 0.0000 0.0000 34393.6352 -149499.4441 300.3682 -183893.0793 -149405.6610 297.2376 135.8672 170.2736 557941.9960 4.7187 4.7268 PRESSURE: 3067000 57.1696 5.72842 33.2838 5.72747 -202.974 -57.8702 33.2855 -57.8718 126.229 GPRESSURE: 3067000 104.923 -16.9772 36.8493 16.1873 -147.467 -99.9725 138.468 -4.03791 121.019 PRESSAVG: 3067000 16.5626 20.8309 10.6183 20.8308 -75.9351 -10.53 10.6182 -10.5301 65.6551 GPRESSAVG: 3067000 17.0242 20.5955 11.255 20.1194 -74.4397 -13.1884 10.8325 -8.11164 63.9961 TIMING: 3067000 CPU: 8902.47, 0.00287994/step Wall: 8902.47, 0.00287994/step, 1.54637 hours remaining, 207.621094 MB of memory in use. ENERGY: 3067000 710.6918 2067.6026 1975.2926 118.2396 -206242.5565 17845.1561 0.0000 0.0000 33989.0994 -149536.4744 296.8353 -183525.5739 -149444.8217 297.2619 -6.5253 26.1581 556945.1356 2.0942 2.1935 PRESSURE: 3067200 -81.9878 -54.7389 -58.9589 -54.7399 198.964 151.554 -58.959 151.551 59.9723 GPRESSURE: 3067200 -41.907 -0.872673 -148.878 -71.4876 187.002 163.157 21.3669 115.218 118.712 PRESSAVG: 3067200 79.5214 -42.9369 68.0961 -42.9368 -85.746 -19.8147 68.0961 -19.8145 18.8227 GPRESSAVG: 3067200 79.3045 -44.0851 67.3488 -42.5114 -86.1626 -20.2067 67.5118 -19.9769 20.0907 TIMING: 3067200 CPU: 8903.05, 0.00291154/step Wall: 8903.05, 0.00291154/step, 1.56317 hours remaining, 207.621094 MB of memory in use. ENERGY: 3067200 758.0447 2104.4355 1946.7016 106.0469 -206723.4574 18124.5418 0.0000 0.0000 34015.3766 -149668.3100 297.0647 -183683.6867 -149585.0613 297.9267 58.9829 87.9356 557577.1415 4.1994 4.4109 PRESSURE: 3067400 -81.8393 -151.022 103.836 -151.021 -137.428 -41.9081 103.837 -41.9081 -151.07 GPRESSURE: 3067400 -59.4737 -108.382 -51.6076 -168.404 -80.2549 -106.757 201.227 43.3025 -133.163 PRESSAVG: 3067400 36.0045 -35.9932 -0.905605 -35.9933 20.912 -29.2689 -0.905605 -29.2689 -29.3346 GPRESSAVG: 3067400 35.0178 -31.9438 -2.11147 -38.5313 20.7769 -27.1414 0.0966411 -29.2477 -28.2468 TIMING: 3067400 CPU: 8903.64, 0.00291393/step Wall: 8903.64, 0.00291393/step, 1.56429 hours remaining, 207.621094 MB of memory in use. ENERGY: 3067400 743.5781 2050.0421 1950.0778 108.5429 -206363.0905 17822.4597 0.0000 0.0000 34042.2314 -149646.1584 297.2993 -183688.3898 -149557.6266 298.3619 -123.4457 -90.9640 557964.8056 9.1940 9.1826 PRESSURE: 3067600 -193.547 -106.375 79.568 -106.375 -19.0968 -122.914 79.5703 -122.912 -119.429 GPRESSURE: 3067600 -138.142 -73.9051 41.3761 -73.2957 3.09873 -57.0251 65.8062 -123.468 -103.55 PRESSAVG: 3067600 -23.0412 -2.91145 22.4803 -2.91148 11.295 -13.1701 22.4803 -13.1701 -37.7835 GPRESSAVG: 3067600 -20.7836 -4.1788 22.2024 -3.37394 10.0529 -13.0262 23.6394 -14.2986 -38.8432 TIMING: 3067600 CPU: 8904.22, 0.00290692/step Wall: 8904.22, 0.00290692/step, 1.56037 hours remaining, 207.621094 MB of memory in use. ENERGY: 3067600 743.8054 2045.5832 1954.5966 105.1256 -206127.7509 17706.7764 0.0000 0.0000 34032.6448 -149539.2189 297.2156 -183571.8637 -149447.0850 297.3787 -110.6907 -79.5309 558627.0599 -16.5099 -16.5246 PRESSURE: 3067800 136.31 72.8724 -107.297 72.8718 148.834 28.0894 -107.299 28.0882 -2.31305 GPRESSURE: 3067800 168.489 131.357 -80.4962 -48.3152 160.489 120.894 -90.5814 21.7779 43.884 PRESSAVG: 3067800 8.00068 -1.48342 16.9047 -1.48341 -12.8948 35.0429 16.9048 35.043 -40.6275 GPRESSAVG: 3067800 6.68633 -1.58497 18.181 -0.00557988 -12.2032 33.3343 13.7152 36.6923 -40.162 TIMING: 3067800 CPU: 8904.8, 0.00291871/step Wall: 8904.8, 0.00291871/step, 1.56654 hours remaining, 207.621094 MB of memory in use. ENERGY: 3067800 805.1816 2099.4308 1954.9286 117.4975 -206617.1473 17981.7905 0.0000 0.0000 34121.2764 -149537.0419 297.9896 -183658.3182 -149444.2539 298.1374 94.2769 124.2873 556902.8304 -15.1739 -15.2263 PRESSURE: 3068000 9.95246 -36.6379 34.4943 -36.6376 177.11 184.699 34.4932 184.7 -73.4211 GPRESSURE: 3068000 68.2458 -94.0504 32.6416 13.2325 197.045 109.775 110.909 255.731 -55.2175 PRESSAVG: 3068000 6.40347 27.3002 -16.1347 27.3002 -38.3221 50.2836 -16.1348 50.2836 32.7102 GPRESSAVG: 3068000 5.98308 27.0088 -15.4016 26.7026 -36.8931 49.6016 -14.2908 51.0947 31.8564 TIMING: 3068000 CPU: 8905.38, 0.00291905/step Wall: 8905.38, 0.00291905/step, 1.56656 hours remaining, 207.621094 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: 3068000 724.4190 2063.6124 1977.8272 117.9762 -206646.2314 17941.6360 0.0000 0.0000 34246.2107 -149574.5500 299.0807 -183820.7607 -149480.2645 298.1169 37.8804 70.0243 556362.8614 0.2639 0.3154 PRESSURE: 3068200 -19.7984 120.011 -128.169 120.013 -61.8377 -165.604 -128.169 -165.605 -103.159 GPRESSURE: 3068200 29.267 136.323 -39.5166 112.73 -34.1511 -53.1377 -116.182 -294.186 -89.0583 PRESSAVG: 3068200 9.98763 -9.97433 -7.33501 -9.97431 28.4627 45.3412 -7.33498 45.3412 -21.3368 GPRESSAVG: 3068200 9.38384 -11.4454 -7.6341 -9.30624 28.1919 44.7082 -10.553 43.7142 -20.868 TIMING: 3068200 CPU: 8905.97, 0.00293822/step Wall: 8905.97, 0.00293822/step, 1.57668 hours remaining, 207.621094 MB of memory in use. ENERGY: 3068200 768.1110 2073.3260 1944.7141 107.4239 -206243.0924 17847.4088 0.0000 0.0000 33940.2923 -149561.8163 296.4090 -183502.1087 -149464.1253 297.8752 -61.5984 -31.3141 558382.0543 5.7045 5.5693 LDB: ============= START OF LOAD BALANCING ============== 8909.44 LDB: ============== END OF LOAD BALANCING =============== 8909.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8909.44 LDB: ============= START OF LOAD BALANCING ============== 8909.74 LDB: Largest compute 4821 load 0.030696 is 26.1% of average load 0.117720 LDB: Average compute 0.001709 is 1.5% of average load 0.117720 LDB: TIME 8909.74 LOAD: AVG 0.11772 MAX 0.180455 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 8909.74 LOAD: AVG 0.11772 MAX 0.180455 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 8909.74 LOAD: AVG 0.11772 MAX 0.180455 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8909.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8909.75 PRESSURE: 3068400 147.461 44.181 -130.928 44.1791 157.057 -17.1171 -130.927 -17.1183 -354.072 GPRESSURE: 3068400 158.086 40.1301 -75.5305 69.7071 205.929 -52.1498 -171.273 17.1992 -321.274 PRESSAVG: 3068400 67.7793 25.4453 4.43032 25.4453 -17.7791 -13.904 4.43032 -13.9041 -41.6714 GPRESSAVG: 3068400 67.8135 26.4475 2.40143 23.6409 -18.1784 -11.9384 7.18374 -14.2699 -41.7004 TIMING: 3068400 CPU: 8906.57, 0.00301059/step Wall: 8906.57, 0.00301059/step, 1.61535 hours remaining, 205.425781 MB of memory in use. ENERGY: 3068400 751.2085 2096.7233 1934.4127 103.1465 -206019.2124 17713.1717 0.0000 0.0000 34043.7859 -149376.7638 297.3128 -183420.5497 -149283.0648 298.7735 -16.5181 14.2473 557932.4012 2.7763 2.6449 PRESSURE: 3068600 -136.905 26.8434 74.7549 26.8413 -87.4759 145.71 74.7533 145.712 -245.794 GPRESSURE: 3068600 -120.735 59.6555 37.7157 16.8698 -58.412 198.316 189.411 170.293 -209.351 PRESSAVG: 3068600 12.4418 8.96493 -13.4477 8.96496 45.9845 4.67786 -13.4478 4.67798 -58.3947 GPRESSAVG: 3068600 13.6359 10.2088 -11.21 9.93256 46.0451 4.35332 -11.2604 5.60747 -59.286 TIMING: 3068600 CPU: 8907.16, 0.0029239/step Wall: 8907.16, 0.0029239/step, 1.56867 hours remaining, 205.425781 MB of memory in use. ENERGY: 3068600 737.0246 2091.5482 1950.8206 111.7035 -206088.1765 17585.0882 0.0000 0.0000 34213.9150 -149398.0765 298.7986 -183611.9915 -149295.5718 298.6488 -156.7249 -129.4993 556521.0859 0.0105 0.1317 PRESSURE: 3068800 225.467 -31.4488 -204.925 -31.4486 112.384 -34.9516 -204.925 -34.951 220.787 GPRESSURE: 3068800 207.357 -69.8134 -121.386 25.2898 202.774 38.5515 -209.716 -84.2676 239.94 PRESSAVG: 3068800 19.8046 -5.608 34.1441 -5.60801 51.104 -23.6878 34.1441 -23.6878 -32.1726 GPRESSAVG: 3068800 18.996 -7.99174 34.7055 -5.67655 51.1806 -24.2683 32.4155 -24.6546 -31.4479 TIMING: 3068800 CPU: 8907.74, 0.00290815/step Wall: 8907.74, 0.00290815/step, 1.56006 hours remaining, 205.425781 MB of memory in use. ENERGY: 3068800 713.3124 2045.7785 1964.5476 103.0369 -206203.3714 17993.0181 0.0000 0.0000 34133.1532 -149250.5248 298.0933 -183383.6779 -149160.6792 298.7619 186.2126 216.6905 556509.9706 12.9120 12.9096 PRESSURE: 3069000 -139.48 -28.6603 56.2379 -28.6603 -143.841 -115.764 56.2381 -115.762 -259.649 GPRESSURE: 3069000 -31.9143 -57.4546 5.74411 97.773 -89.2604 -135.613 43.136 -58.7863 -325.944 PRESSAVG: 3069000 -53.8195 -31.6526 20.6699 -31.6525 -6.08443 -11.2877 20.6699 -11.2877 9.64173 GPRESSAVG: 3069000 -53.8541 -30.1143 19.3728 -31.2111 -5.67002 -11.7867 20.7311 -11.9976 9.42192 TIMING: 3069000 CPU: 8908.33, 0.00293988/step Wall: 8908.33, 0.00293988/step, 1.57692 hours remaining, 205.425781 MB of memory in use. ENERGY: 3069000 746.7986 2050.9678 1972.9025 112.7016 -205730.1244 17523.6032 0.0000 0.0000 34101.0203 -149222.1304 297.8127 -183323.1507 -149127.4577 299.0877 -180.9900 -149.0396 558302.5715 -16.7541 -16.7007 PRESSURE: 3069200 -191.753 77.9911 -56.9244 77.9913 -17.5069 48.2144 -56.9253 48.2146 60.8981 GPRESSURE: 3069200 -92.8549 52.7247 -95.6213 95.6602 15.3186 79.1993 10.6915 1.49302 28.8006 PRESSAVG: 3069200 -35.4968 -13.7521 -41.2463 -13.752 -34.962 13.7523 -41.2463 13.7523 16.7816 GPRESSAVG: 3069200 -35.3057 -12.5971 -41.0763 -14.1881 -33.975 14.9796 -41.0184 13.2063 15.6443 TIMING: 3069200 CPU: 8908.91, 0.00293074/step Wall: 8908.91, 0.00293074/step, 1.57185 hours remaining, 205.425781 MB of memory in use. ENERGY: 3069200 708.3155 2035.0698 1964.9720 110.2256 -206197.6684 17696.7527 0.0000 0.0000 34223.4180 -149458.9149 298.8816 -183682.3329 -149359.0088 298.6034 -49.4540 -16.2452 556277.0304 -17.8924 -17.8788 PRESSURE: 3069400 141.319 30.5971 -94.3428 30.5968 -33.8633 21.9827 -94.3427 21.9843 78.6293 GPRESSURE: 3069400 141.562 10.8005 -129.3 77.5299 3.25621 18.2703 -172.63 57.8148 130.981 PRESSAVG: 3069400 -38.4177 -11.6608 -36.0878 -11.6609 -37.5264 -12.1107 -36.0878 -12.1107 91.8812 GPRESSAVG: 3069400 -38.4601 -12.7718 -37.1623 -11.5955 -38.4321 -13.9328 -34.8667 -10.0347 92.8258 TIMING: 3069400 CPU: 8909.5, 0.0029075/step Wall: 8909.5, 0.0029075/step, 1.55923 hours remaining, 205.425781 MB of memory in use. ENERGY: 3069400 751.6771 2069.5420 1946.9396 107.3240 -206486.2392 17849.9835 0.0000 0.0000 34102.2803 -149658.4927 297.8237 -183760.7730 -149562.5096 297.9090 62.0283 91.9332 555444.9320 5.3124 5.3112 PRESSURE: 3069600 -123.822 -12.2479 -80.7604 -12.2482 -254.939 16.58 -80.7605 16.5799 -224 GPRESSURE: 3069600 -82.1393 -45.4661 -71.6022 12.5092 -179.567 -126.028 -104.957 141.933 -240.79 PRESSAVG: 3069600 -33.7387 -13.9959 13.7721 -13.9959 -44.6276 -51.9431 13.772 -51.9431 80.4116 GPRESSAVG: 3069600 -34.0357 -13.846 14.8594 -15.4711 -44.4528 -53.2154 13.1149 -52.0413 81.3994 TIMING: 3069600 CPU: 8910.08, 0.00291985/step Wall: 8910.08, 0.00291985/step, 1.56569 hours remaining, 205.425781 MB of memory in use. ENERGY: 3069600 719.8762 2063.6944 1955.4396 119.8927 -206106.5615 17495.4295 0.0000 0.0000 34240.1562 -149512.0729 299.0278 -183752.2292 -149413.6166 297.4231 -200.9203 -167.4988 556117.7725 0.6818 0.9703 PRESSURE: 3069800 158.536 -112.771 -12.707 -112.771 37.3187 12.7201 -12.7069 12.719 124.126 GPRESSURE: 3069800 171.625 -78.6497 -25.3541 -143.396 29.0548 -12.6524 46.4499 -35.3621 229.264 PRESSAVG: 3069800 -85.0612 -20.3313 -14.4492 -20.3313 8.00987 20.191 -14.4493 20.191 98.7705 GPRESSAVG: 3069800 -85.0003 -19.2841 -14.8981 -18.0209 7.89217 24.3477 -15.7204 19.2652 99.3739 TIMING: 3069800 CPU: 8910.66, 0.00292396/step Wall: 8910.66, 0.00292396/step, 1.56773 hours remaining, 205.425781 MB of memory in use. ENERGY: 3069800 706.1316 2081.0205 1924.4067 103.5162 -206593.8163 18125.2420 0.0000 0.0000 34221.7870 -149431.7123 298.8674 -183653.4993 -149333.7977 298.4838 106.6602 143.3148 558408.5052 7.2397 7.4219 PRESSURE: 3070000 58.4926 -69.3866 -134.808 -69.3861 -1.5169 176.489 -134.809 176.489 16.8587 GPRESSURE: 3070000 73.3339 -71.4112 -168.965 -33.4845 46.923 170.422 -98.1301 152.753 35.3542 PRESSAVG: 3070000 -1.75503 -31.8594 -68.1238 -31.8594 -23.5632 22.0282 -68.1239 22.028 43.5632 GPRESSAVG: 3070000 -0.865135 -32.2474 -68.7163 -32.7799 -23.4608 18.6476 -68.198 23.3205 42.5042 TIMING: 3070000 CPU: 8911.25, 0.0029383/step Wall: 8911.25, 0.0029383/step, 1.57526 hours remaining, 205.425781 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: 3070000 696.6511 2071.6919 1954.2835 124.5868 -206206.7831 17687.3090 0.0000 0.0000 34258.2126 -149414.0482 299.1855 -183672.2607 -149314.9210 298.0726 24.6115 51.8704 558241.6471 6.0817 6.0594 PRESSURE: 3070200 -118.548 24.1296 -101.922 24.1303 400.253 -47.4946 -101.922 -47.4967 100.831 GPRESSURE: 3070200 -78.5989 133.74 -193.26 35.573 439.009 1.77074 -52.5402 -84.8288 125.097 PRESSAVG: 3070200 -41.0698 -55.9135 -94.8379 -55.9135 -32.746 -3.23257 -94.8379 -3.23265 -11.7632 GPRESSAVG: 3070200 -41.8578 -54.9845 -94.5312 -55.5756 -33.3051 -2.62591 -91.7645 -2.97729 -10.6677 TIMING: 3070200 CPU: 8911.83, 0.00291064/step Wall: 8911.83, 0.00291064/step, 1.56027 hours remaining, 205.492188 MB of memory in use. ENERGY: 3070200 761.4208 2063.0519 1968.6611 114.5359 -206428.0267 18070.1195 0.0000 0.0000 34159.1609 -149291.0766 298.3204 -183450.2375 -149194.1535 298.3745 127.5122 161.8358 558204.0384 -28.5263 -28.6102 PRESSURE: 3070400 -47.6114 -24.561 -17.6642 -24.5618 291.932 33.6378 -17.6649 33.637 13.011 GPRESSURE: 3070400 -62.7731 -65.0556 25.9242 -13.5356 332.144 12.9539 -78.9275 47.7011 77.4038 PRESSAVG: 3070400 -23.4657 -11.5719 11.3612 -11.572 56.8828 -25.3281 11.3611 -25.328 -21.7595 GPRESSAVG: 3070400 -22.9062 -14.0079 12.2505 -9.40574 57.2913 -27.0509 8.85524 -25.6183 -23.1164 TIMING: 3070400 CPU: 8912.42, 0.00292282/step Wall: 8912.42, 0.00292282/step, 1.56663 hours remaining, 205.492188 MB of memory in use. ENERGY: 3070400 735.4266 2065.0499 1959.4985 122.8211 -206083.6147 17954.4084 0.0000 0.0000 34052.0913 -149194.3188 297.3854 -183246.4101 -149101.9203 299.1377 85.7771 115.5917 558790.1455 3.8858 3.7562 PRESSURE: 3070600 10.8475 -8.86204 -87.4484 -8.86303 168.847 140.812 -87.4491 140.811 -111.23 GPRESSURE: 3070600 45.7084 -103.093 20.2056 45.8934 174.133 180.279 -99.8681 151.683 -49.5445 PRESSAVG: 3070600 -2.19001 -49.371 -12.7054 -49.3709 25.4095 67.4311 -12.7055 67.4309 -0.486712 GPRESSAVG: 3070600 -1.88977 -49.6194 -12.0288 -49.4569 25.5545 70.3104 -11.3004 67.389 -1.0567 TIMING: 3070600 CPU: 8913.01, 0.00294099/step Wall: 8913.01, 0.00294099/step, 1.57621 hours remaining, 205.492188 MB of memory in use. ENERGY: 3070600 746.5952 2082.3512 1955.1548 114.0796 -206116.8039 17733.0542 0.0000 0.0000 34314.4293 -149171.1397 299.6764 -183485.5690 -149074.8022 299.2716 22.8215 56.7658 557349.1692 7.5776 7.5360 PRESSURE: 3070800 -149.594 55.4436 -74.9493 55.443 -214.227 0.977428 -74.9491 0.97718 -47.4554 GPRESSURE: 3070800 -93.1107 39.4062 -5.14915 -57.1086 -171.635 34.4812 -145.395 -41.5761 -49.7773 PRESSAVG: 3070800 99.4781 -3.2625 -24.9799 -3.26257 -33.3824 3.55721 -24.9799 3.55708 -72.9079 GPRESSAVG: 3070800 99.458 -1.0353 -25.8007 -5.25873 -34.0019 3.47961 -25.5711 1.46332 -72.2713 TIMING: 3070800 CPU: 8913.59, 0.0029235/step Wall: 8913.59, 0.0029235/step, 1.56667 hours remaining, 205.492188 MB of memory in use. ENERGY: 3070800 766.0980 2094.5832 1940.2367 109.9682 -206290.3071 17660.6683 0.0000 0.0000 34346.5307 -149372.2219 299.9568 -183718.7527 -149278.6887 298.4081 -137.0922 -104.8410 559079.4256 -2.2707 -2.2717 PRESSURE: 3071000 -296.868 -2.01635 85.4303 -2.01697 -85.0688 -117.743 85.4306 -117.741 -143.404 GPRESSURE: 3071000 -231.909 -7.08719 12.3686 82.467 -114.846 -60.3812 181.721 -46.2527 -72.2339 PRESSAVG: 3071000 -34.9893 13.2483 -19.4611 13.2483 -5.14253 -57.9357 -19.4612 -57.9357 25.3986 GPRESSAVG: 3071000 -35.285 11.7153 -21.3134 12.676 -4.65194 -58.0175 -18.1824 -56.1675 25.2611 TIMING: 3071000 CPU: 8914.18, 0.0029421/step Wall: 8914.18, 0.0029421/step, 1.57647 hours remaining, 205.492188 MB of memory in use. ENERGY: 3071000 783.8912 2074.6016 1975.9671 119.5585 -206054.6498 17538.5478 0.0000 0.0000 34136.4783 -149425.6053 298.1224 -183562.0836 -149332.6045 298.9419 -175.1136 -139.6628 556810.7764 -4.9111 -4.8919 PRESSURE: 3071200 106.954 -8.53988 107.431 -8.53862 2.12234 33.3135 107.43 33.3142 1.17999 GPRESSURE: 3071200 146.28 -64.3053 181.452 41.2012 -6.48975 88.8923 23.0198 59.3067 70.4998 PRESSAVG: 3071200 -51.0753 -58.5209 40.9961 -58.521 6.46366 56.9014 40.9962 56.9013 26.7256 GPRESSAVG: 3071200 -51.2129 -60.2307 42.1322 -56.1836 6.82807 56.3826 38.4432 55.4151 26.5823 TIMING: 3071200 CPU: 8914.77, 0.00293218/step Wall: 8914.77, 0.00293218/step, 1.571 hours remaining, 205.492188 MB of memory in use. ENERGY: 3071200 752.4365 2022.7293 1950.4715 114.3298 -206754.4692 18053.3973 0.0000 0.0000 34330.2533 -149530.8514 299.8146 -183861.1047 -149429.8718 298.8832 36.7521 70.0966 556649.9422 -5.9620 -5.9342 PRESSURE: 3071400 151.418 -24.1902 -209.069 -24.1896 -62.6715 106.121 -209.069 106.121 12.4335 GPRESSURE: 3071400 186.813 -61.4852 -269.831 4.98392 -8.13218 92.5808 -212.314 189.283 14.1278 PRESSAVG: 3071400 28.2399 -2.84175 7.12962 -2.84181 -47.1194 -20.4461 7.12957 -20.4462 42.7984 GPRESSAVG: 3071400 29.1191 -1.7338 7.57952 -3.92508 -48.4192 -20.3698 9.36693 -19.5124 43.4616 TIMING: 3071400 CPU: 8915.35, 0.00290073/step Wall: 8915.35, 0.00290073/step, 1.55398 hours remaining, 205.492188 MB of memory in use. ENERGY: 3071400 699.1391 2155.4664 1985.5324 113.5826 -206409.2586 17881.1400 0.0000 0.0000 34040.1562 -149534.2419 297.2812 -183574.3981 -149436.2238 298.9000 33.7265 64.2696 556988.5089 7.9730 8.0538 PRESSURE: 3071600 10.9877 121.28 107.443 121.28 192.335 -48.8352 107.441 -48.8354 30.8232 GPRESSURE: 3071600 92.4259 131.333 36.4376 92.1265 164.35 -11.7774 116.904 3.85405 69.6982 PRESSAVG: 3071600 28.928 21.2609 -34.1979 21.2609 -31.9718 28.401 -34.198 28.4009 -0.249192 GPRESSAVG: 3071600 27.613 22.8462 -34.5741 20.2966 -29.9947 27.6951 -36.4813 27.6262 -0.604655 TIMING: 3071600 CPU: 8915.93, 0.00289614/step Wall: 8915.93, 0.00289614/step, 1.55137 hours remaining, 205.492188 MB of memory in use. ENERGY: 3071600 740.6221 2107.9075 1963.2281 112.7702 -206884.1827 18168.2288 0.0000 0.0000 34292.1445 -149499.2814 299.4818 -183791.4258 -149399.1453 298.5649 78.0487 108.8248 557233.5058 -1.0977 -0.9955 PRESSURE: 3071800 104.157 85.2418 -35.2664 85.241 -295.115 -80.1332 -35.2673 -80.1328 47.6923 GPRESSURE: 3071800 143.743 39.0597 100.777 40.5765 -250.927 -19.3974 -38.5236 -125.014 52.3248 PRESSAVG: 3071800 4.13006 -1.82396 -4.27724 -1.82397 -41.1155 -10.3391 -4.27727 -10.3391 7.18983 GPRESSAVG: 3071800 5.51139 -2.19984 -2.19619 -0.22454 -42.744 -9.97375 -4.23005 -10.7852 7.17716 TIMING: 3071800 CPU: 8916.51, 0.00290768/step Wall: 8916.51, 0.00290768/step, 1.55739 hours remaining, 205.492188 MB of memory in use. ENERGY: 3071800 755.4924 2067.6120 1961.0810 108.0706 -206781.2583 18056.3049 0.0000 0.0000 34398.8568 -149433.8405 300.4138 -183832.6973 -149331.2679 299.1258 -47.7554 -18.2865 558810.0285 -9.9319 -10.0185 PRESSURE: 3072000 40.3504 -23.3321 135.087 -23.3338 228.122 -89.4682 135.086 -89.4678 19.77 GPRESSURE: 3072000 40.8521 56.5049 52.2481 -49.4761 290.657 -38.3319 172.625 -136.779 45.5065 PRESSAVG: 3072000 -10.1857 -26.1321 -7.85334 -26.1321 -12.1413 -27.5219 -7.85337 -27.522 -29.968 GPRESSAVG: 3072000 -10.8988 -26.6411 -10.3055 -27.2265 -11.5262 -26.6033 -9.25441 -27.2966 -29.4702 TIMING: 3072000 CPU: 8917.1, 0.00295119/step Wall: 8917.1, 0.00295119/step, 1.58053 hours remaining, 205.492188 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: 3072000 728.2111 2118.7653 1935.1410 108.2166 -206682.8691 18070.9570 0.0000 0.0000 34320.6716 -149400.9066 299.7310 -183721.5782 -149308.7756 299.0488 96.0807 125.6720 557565.1174 -17.4317 -17.2984 PRESSURE: 3072200 80.3409 120.114 55.8468 120.113 -266.938 18.3003 55.8483 18.2994 -51.0247 GPRESSURE: 3072200 86.0637 169.429 38.4301 46.8344 -249.862 -50.0161 60.7184 122.335 17.207 PRESSAVG: 3072200 32.6124 12.4475 51.6373 12.4474 11.7186 -0.495921 51.6374 -0.495821 -15.5733 GPRESSAVG: 3072200 31.8013 13.795 52.8268 11.1274 12.2264 -0.792246 55.2307 0.515379 -15.7765 TIMING: 3072200 CPU: 8917.68, 0.00293108/step Wall: 8917.68, 0.00293108/step, 1.5696 hours remaining, 205.492188 MB of memory in use. ENERGY: 3072200 770.4418 2049.2069 1961.1168 118.4260 -206267.2910 17725.8193 0.0000 0.0000 34245.5681 -149396.7121 299.0751 -183642.2802 -149298.0334 298.5716 -79.2072 -48.8637 557206.1220 9.5859 9.4171 LDB: ============= START OF LOAD BALANCING ============== 8921.15 LDB: ============== END OF LOAD BALANCING =============== 8921.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8921.15 LDB: ============= START OF LOAD BALANCING ============== 8921.45 LDB: Largest compute 4848 load 0.029023 is 24.7% of average load 0.117727 LDB: Average compute 0.001702 is 1.4% of average load 0.117727 LDB: TIME 8921.45 LOAD: AVG 0.117727 MAX 0.17913 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.578 MB LDB: TIME 8921.45 LOAD: AVG 0.117727 MAX 0.17913 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.586 MB LDB: TIME 8921.45 LOAD: AVG 0.117727 MAX 0.17913 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8921.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8921.46 PRESSURE: 3072400 -51.4542 55.2847 277.413 55.2844 55.6484 57.3489 277.413 57.3503 -53.2217 GPRESSURE: 3072400 -8.91673 9.11315 262.618 -1.2193 44.7761 57.9 171.13 123.085 5.98915 PRESSAVG: 3072400 -19.1684 3.89404 63.9989 3.89405 61.6007 20.1384 63.999 20.1383 -29.5993 GPRESSAVG: 3072400 -19.1191 2.82956 63.3069 5.72673 61.4312 22.7411 60.7153 20.6826 -28.8934 TIMING: 3072400 CPU: 8918.28, 0.00297813/step Wall: 8918.28, 0.00297813/step, 1.59462 hours remaining, 206.019531 MB of memory in use. ENERGY: 3072400 734.1600 2114.7657 1961.0031 110.9974 -206465.5225 17896.2102 0.0000 0.0000 34357.9894 -149290.3967 300.0569 -183648.3861 -149193.2265 298.7241 -16.3425 13.9495 557610.1388 4.2777 4.4729 PRESSURE: 3072600 -222.84 -68.5299 -70.3422 -68.529 -157.429 16.1484 -70.341 16.1473 93.6006 GPRESSURE: 3072600 -265.445 -74.2274 -58.2528 -100.849 -37.3646 79.1402 9.12453 -53.6388 95.8025 PRESSAVG: 3072600 -58.1934 3.53839 59.8579 3.53832 43.9415 16.2835 59.858 16.2835 14.4955 GPRESSAVG: 3072600 -58.3935 3.6633 59.3618 2.27585 44.8962 14.6148 62.5836 14.3838 13.6437 TIMING: 3072600 CPU: 8918.86, 0.00292455/step Wall: 8918.86, 0.00292455/step, 1.56577 hours remaining, 206.019531 MB of memory in use. ENERGY: 3072600 745.6994 2068.9091 1940.5144 117.6851 -206201.8118 17828.5895 0.0000 0.0000 34204.4196 -149295.9945 298.7157 -183500.4142 -149208.2628 298.6477 -95.5561 -69.0023 558904.0391 0.0812 0.0488 PRESSURE: 3072800 -187.296 -68.4483 69.274 -68.448 -109.801 -57.743 69.2743 -57.7439 -48.3577 GPRESSURE: 3072800 -157.309 -17.7029 9.02264 -53.8417 -107.254 -77.6856 133.267 -60.0394 15.8373 PRESSAVG: 3072800 -36.5705 -9.70581 30.692 -9.70579 49.1166 -16.6264 30.692 -16.6264 15.6385 GPRESSAVG: 3072800 -34.7986 -11.4205 28.4556 -7.07137 47.5761 -18.8528 31.6847 -12.9517 15.5581 TIMING: 3072800 CPU: 8919.45, 0.00292382/step Wall: 8919.45, 0.00292382/step, 1.56522 hours remaining, 206.019531 MB of memory in use. ENERGY: 3072800 767.8918 2039.3510 1990.6983 118.8768 -205946.6733 17761.9924 0.0000 0.0000 34003.4736 -149264.3894 296.9608 -183267.8630 -149172.3146 298.5404 -115.1517 -82.9087 559960.3605 9.3949 9.4452 PRESSURE: 3073000 -378.283 165.301 32.5364 165.301 -65.4318 88.4778 32.5354 88.4773 -81.9464 GPRESSURE: 3073000 -339.997 108.533 65.3208 243.424 -11.2563 -2.84595 66.6655 133.196 -86.4198 PRESSAVG: 3073000 -28.5966 32.15 6.98107 32.15 61.7696 3.93616 6.98113 3.9362 -10.1694 GPRESSAVG: 3073000 -30.1461 32.8859 8.71636 30.3478 62.9167 6.65238 5.06338 0.713798 -9.62625 TIMING: 3073000 CPU: 8920.03, 0.00290188/step Wall: 8920.03, 0.00290188/step, 1.55331 hours remaining, 206.019531 MB of memory in use. ENERGY: 3073000 740.8507 2099.3963 1999.8382 118.8604 -205854.7207 17584.1527 0.0000 0.0000 33855.8974 -149455.7249 295.6720 -183311.6223 -149358.5705 298.1653 -175.2204 -145.8910 558896.9515 7.6679 7.7148 PRESSURE: 3073200 -125.05 -16.0771 -126.139 -16.0764 -79.1722 6.25088 -126.139 6.25086 -217.744 GPRESSURE: 3073200 -67.9637 -73.1576 -218.289 56.0595 -39.8773 47.4602 -119.442 10.1875 -228.119 PRESSAVG: 3073200 -60.4569 28.0516 -5.8692 28.0516 9.3614 34.203 -5.86929 34.203 41.5561 GPRESSAVG: 3073200 -59.0781 27.701 -4.96083 28.8941 10.2945 32.8542 -8.12054 35.8407 39.5815 TIMING: 3073200 CPU: 8920.61, 0.00291203/step Wall: 8920.61, 0.00291203/step, 1.55859 hours remaining, 206.019531 MB of memory in use. ENERGY: 3073200 746.9591 2094.9601 1951.2639 118.7878 -206245.1691 17623.7971 0.0000 0.0000 34314.7318 -149394.6692 299.6791 -183709.4010 -149303.6313 298.0808 -140.6556 -111.9867 556779.6329 -3.1798 -3.0674 PRESSURE: 3073400 -221.097 -74.1044 30.9186 -74.1045 -9.18571 54.0138 30.9183 54.0132 60.9072 GPRESSURE: 3073400 -178.471 -29.6249 91.8159 -49.9801 63.0007 48.3544 -39.7903 -4.01942 41.3237 PRESSAVG: 3073400 7.38302 -16.2922 -32.8451 -16.2923 -2.9627 -42.5593 -32.8452 -42.5592 -6.14737 GPRESSAVG: 3073400 7.78855 -13.8489 -33.3996 -17.0382 -3.21342 -42.6185 -32.127 -45.7992 -6.05741 TIMING: 3073400 CPU: 8921.19, 0.00291119/step Wall: 8921.19, 0.00291119/step, 1.55797 hours remaining, 206.019531 MB of memory in use. ENERGY: 3073400 750.2852 2178.5896 1982.7005 107.4467 -206458.1945 17770.6545 0.0000 0.0000 34412.9644 -149255.5537 300.5370 -183668.5181 -149158.9452 299.1094 -56.4585 -24.7156 557271.7659 -0.5757 -0.4941 PRESSURE: 3073600 104.429 12.2089 88.5079 12.2099 243.774 -130.286 88.5065 -130.286 -160.587 GPRESSURE: 3073600 130.787 101.038 172.488 -84.0598 245.061 -168.728 1.82376 -79.5901 -88.0093 PRESSAVG: 3073600 -74.0544 -9.03794 34.5262 -9.03795 48.4212 -6.12139 34.5262 -6.12141 65.091 GPRESSAVG: 3073600 -75.0071 -13.0348 36.1702 -9.77196 48.8562 -6.83217 36.0252 -3.34114 65.3912 TIMING: 3073600 CPU: 8921.77, 0.00290051/step Wall: 8921.77, 0.00290051/step, 1.5521 hours remaining, 206.019531 MB of memory in use. ENERGY: 3073600 746.0072 2090.8102 1955.4904 121.9938 -206059.0555 17821.7498 0.0000 0.0000 34099.6752 -149223.3288 297.8009 -183323.0040 -149115.6632 298.9829 62.5389 95.9461 556994.9901 13.1526 13.0801 PRESSURE: 3073800 -187.054 -162.205 45.8853 -162.206 -285.965 -31.4282 45.8862 -31.4288 -275.668 GPRESSURE: 3073800 -210.488 -157.112 22.4597 -137.747 -211.918 97.7723 66.0306 -102.909 -230.484 PRESSAVG: 3073800 68.4787 -3.59145 -18.204 -3.59135 48.8832 -11.4293 -18.2039 -11.4293 -82.8584 GPRESSAVG: 3073800 68.277 -2.62953 -18.895 -2.56082 47.6338 -8.52516 -19.3727 -14.5432 -81.6614 TIMING: 3073800 CPU: 8922.36, 0.00291898/step Wall: 8922.36, 0.00291898/step, 1.56182 hours remaining, 206.019531 MB of memory in use. ENERGY: 3073800 772.4846 2159.0154 1975.9521 124.8855 -205930.3524 17322.1448 0.0000 0.0000 34306.4848 -149269.3851 299.6071 -183575.8699 -149172.9460 300.2700 -249.5624 -217.6300 556174.7750 11.5012 11.4165 PRESSURE: 3074000 -165.32 47.9426 -60.8612 47.9436 -191.417 -41.847 -60.8598 -41.847 -42.7698 GPRESSURE: 3074000 -138.981 42.3792 10.6974 30.2534 -168.017 -43.5366 -113.873 -63.6838 7.88127 PRESSAVG: 3074000 21.813 -55.734 -91.7562 -55.734 -4.4405 -43.817 -91.7561 -43.8172 -25.4692 GPRESSAVG: 3074000 20.4399 -54.2171 -92.0254 -54.7292 -3.32748 -45.6332 -89.5148 -42.2802 -25.4998 TIMING: 3074000 CPU: 8922.94, 0.00293014/step Wall: 8922.94, 0.00293014/step, 1.56762 hours remaining, 206.019531 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: 3074000 742.4695 2119.7122 1960.8511 122.2005 -205808.4532 17590.7942 0.0000 0.0000 34208.8650 -149063.5608 298.7545 -183272.4258 -148973.7384 299.4692 -133.1688 -99.7053 557724.0927 -2.6989 -2.7958 PRESSURE: 3074200 135.99 74.9068 38.3704 74.9069 167.715 14.0816 38.3699 14.0817 1.31925 GPRESSURE: 3074200 151.505 31.4534 140.398 63.9137 190.96 43.3073 -95.4221 21.1676 74.292 PRESSAVG: 3074200 -65.4696 59.1401 -52.3953 59.14 -13.2886 -52.1107 -52.3953 -52.1106 54.7151 GPRESSAVG: 3074200 -64.5627 57.8411 -49.7098 58.3283 -13.3446 -51.4982 -55.1567 -51.3546 53.4633 TIMING: 3074200 CPU: 8923.53, 0.00291081/step Wall: 8923.53, 0.00291081/step, 1.55712 hours remaining, 206.019531 MB of memory in use. ENERGY: 3074200 734.2693 2130.3765 2000.2364 114.3736 -206259.8877 17875.6696 0.0000 0.0000 34344.7664 -149060.1959 299.9414 -183404.9623 -148962.1298 299.8514 101.6749 138.9190 556357.5852 -8.0144 -8.1480 PRESSURE: 3074400 223.044 -188.449 -233.978 -188.449 -106.75 77.0505 -233.977 77.0493 240.626 GPRESSURE: 3074400 304.255 -126.034 -216.493 -175.248 -52.1506 87.9367 -238.276 31.8598 222.924 PRESSAVG: 3074400 -1.01476 13.3355 -33.8577 13.3355 -42.7378 18.6913 -33.8577 18.6913 40.4916 GPRESSAVG: 3074400 0.476465 13.2678 -34.5635 14.1611 -41.6698 19.4777 -33.7511 16.8187 39.0539 TIMING: 3074400 CPU: 8924.11, 0.00289965/step Wall: 8924.11, 0.00289965/step, 1.55099 hours remaining, 206.019531 MB of memory in use. ENERGY: 3074400 759.5285 2132.5117 1992.6007 122.1517 -206499.7990 18049.9221 0.0000 0.0000 34335.1252 -149107.9591 299.8572 -183443.0844 -149001.1416 299.5628 118.9735 158.3430 556796.1972 -1.0870 -0.7132 PRESSURE: 3074600 188.409 71.9303 -88.2021 71.9314 101.14 -29.1633 -88.2015 -29.1633 -181.379 GPRESSURE: 3074600 170.524 40.476 -150.4 98.836 154.724 -74.2851 -133.61 -28.6357 -116.318 PRESSAVG: 3074600 37.1061 -5.15775 -30.3963 -5.15779 11.3033 -38.4984 -30.3963 -38.4983 -14.3959 GPRESSAVG: 3074600 36.4844 -4.83458 -34.441 -4.18114 9.91433 -38.5751 -28.8976 -38.5854 -12.6366 TIMING: 3074600 CPU: 8924.69, 0.0028945/step Wall: 8924.69, 0.0028945/step, 1.54808 hours remaining, 206.019531 MB of memory in use. ENERGY: 3074600 733.2112 2084.6841 1973.8320 122.5623 -206341.7946 17861.0468 0.0000 0.0000 34329.3421 -149237.1161 299.8067 -183566.4582 -149131.6973 299.7426 36.0565 69.6435 557504.2655 11.3378 11.2541 PRESSURE: 3074800 262.395 -18.106 -1.00456 -18.1051 182.63 -7.42784 -1.00402 -7.42726 54.5573 GPRESSURE: 3074800 333.92 -17.7244 -50.2883 -42.015 187.033 62.6338 66.9669 -29.4296 73.4769 PRESSAVG: 3074800 7.20187 11.9313 -36.5715 11.9312 -10.4852 -24.1365 -36.5715 -24.1366 -4.37116 GPRESSAVG: 3074800 6.60452 12.039 -33.4197 11.3796 -10.9091 -25.3673 -36.9898 -23.2409 -3.47938 TIMING: 3074800 CPU: 8925.27, 0.00292312/step Wall: 8925.27, 0.00292312/step, 1.56322 hours remaining, 206.019531 MB of memory in use. ENERGY: 3074800 680.0354 2117.9749 1967.8795 130.0538 -206263.0224 17989.5640 0.0000 0.0000 34307.7104 -149069.8045 299.6178 -183377.5148 -148968.6378 299.5654 166.5276 198.1435 556621.7962 -2.5515 -2.5947 PRESSURE: 3075000 -67.8882 -1.63949 59.6541 -1.63982 -332.266 202.282 59.6526 202.281 -31.3565 GPRESSURE: 3075000 -33.3864 12.4556 61.4599 -63.256 -277.208 150.341 5.45601 192.233 -0.724632 PRESSAVG: 3075000 49.186 -35.7623 -9.62547 -35.7622 -95.2146 34.0518 -9.6255 34.0516 26.245 GPRESSAVG: 3075000 48.6475 -34.0715 -11.1552 -37.6264 -94.1145 32.4918 -9.9206 36.1813 25.4232 TIMING: 3075000 CPU: 8925.85, 0.00290828/step Wall: 8925.85, 0.00290828/step, 1.55512 hours remaining, 206.019531 MB of memory in use. ENERGY: 3075000 754.8941 2093.7357 1945.5986 109.6589 -206009.7298 17678.1855 0.0000 0.0000 34316.7121 -149110.9448 299.6964 -183427.6569 -149015.2414 300.0633 -143.8370 -103.7729 557704.1623 -6.5945 -6.6812 PRESSURE: 3075200 -311.454 -31.3266 -170.009 -31.326 -247.022 124.045 -170.01 124.046 -221.277 GPRESSURE: 3075200 -314.454 -63.423 -129.684 -52.9796 -214.719 81.7745 -195.578 134.972 -156.82 PRESSAVG: 3075200 -14.2432 27.4459 -40.2819 27.4459 44.4069 6.48843 -40.2819 6.48839 -29.1297 GPRESSAVG: 3075200 -13.6885 27.3189 -41.8809 26.4337 43.7935 7.36993 -38.0272 4.91441 -29.3324 TIMING: 3075200 CPU: 8926.44, 0.00292398/step Wall: 8926.44, 0.00292398/step, 1.56335 hours remaining, 206.019531 MB of memory in use. ENERGY: 3075200 766.0407 2070.6002 1962.1574 127.8516 -205957.2390 17459.7620 0.0000 0.0000 34341.4688 -149229.3584 299.9126 -183570.8271 -149131.1374 299.8698 -259.9178 -228.6643 557822.8136 0.3446 0.2575 PRESSURE: 3075400 285.055 -159.166 -106.158 -159.166 40.8125 2.22272 -106.158 2.22254 -68.0776 GPRESSURE: 3075400 307.593 -111.637 -162.083 -210.68 100.732 -94.3127 -81.4285 57.2432 -57.2766 PRESSAVG: 3075400 -55.6461 -73.9631 -18.4952 -73.9631 -11.7127 44.8128 -18.4952 44.8128 77.877 GPRESSAVG: 3075400 -55.4416 -73.4192 -17.8897 -72.3935 -11.4509 46.4908 -20.3431 42.1871 77.694 TIMING: 3075400 CPU: 8927.02, 0.0029157/step Wall: 8927.02, 0.0029157/step, 1.55877 hours remaining, 206.019531 MB of memory in use. ENERGY: 3075400 723.6909 2150.1932 1980.1621 123.4968 -206117.6673 17858.8871 0.0000 0.0000 34136.7783 -149144.4589 298.1250 -183281.2372 -149048.6695 299.0966 85.9301 117.0161 556534.2773 3.5060 3.6005 PRESSURE: 3075600 40.7341 -20.5758 -157.739 -20.5769 -141.708 311.813 -157.74 311.813 -77.3297 GPRESSURE: 3075600 60.9952 -0.837103 -159.642 -19.2383 -165.743 307.16 -69.3817 304.631 21.4136 PRESSAVG: 3075600 83.1881 -55.7497 -49.0532 -55.7497 9.0159 28.7815 -49.0532 28.7814 -46.1678 GPRESSAVG: 3075600 81.6137 -57.5203 -48.2059 -56.8258 8.64192 26.6696 -49.8979 31.1375 -44.3192 TIMING: 3075600 CPU: 8927.6, 0.00291823/step Wall: 8927.6, 0.00291823/step, 1.55996 hours remaining, 206.019531 MB of memory in use. ENERGY: 3075600 720.8649 2107.1721 1951.4314 109.2141 -206101.4803 17668.8389 0.0000 0.0000 34416.9275 -149127.0314 300.5716 -183543.9589 -149030.3000 299.3287 -59.4344 -27.7779 558485.6693 15.3454 15.3121 PRESSURE: 3075800 -23.3675 157.213 114.11 157.213 -57.3386 127.168 114.11 127.168 -164.644 GPRESSURE: 3075800 3.12177 85.5189 14.2751 154.204 -16.3061 238.711 147.252 45.6781 -136.796 PRESSAVG: 3075800 31.8141 56.9667 6.46523 56.9667 5.56964 36.6272 6.46525 36.6271 -23.9 GPRESSAVG: 3075800 33.7532 57.8144 6.45061 56.0313 5.18342 38.0678 7.55434 35.8547 -25.4948 TIMING: 3075800 CPU: 8928.19, 0.00294354/step Wall: 8928.19, 0.00294354/step, 1.57332 hours remaining, 206.019531 MB of memory in use. ENERGY: 3075800 780.1426 2097.6515 1978.0181 109.2121 -206366.7812 17772.5595 0.0000 0.0000 34189.6360 -149439.5615 298.5866 -183629.1974 -149341.5027 299.3105 -81.7834 -49.9933 557160.2489 4.4946 4.4806 PRESSURE: 3076000 -90.7422 -178.367 49.5143 -178.368 -149.499 71.1224 49.5137 71.1218 141.725 GPRESSURE: 3076000 -68.5016 -238.72 70.5897 -97.8361 -80.6047 96.4092 -30.0388 11.6233 159.834 PRESSAVG: 3076000 4.28282 -35.2359 23.3489 -35.2359 60.1524 6.57169 23.349 6.57176 -54.28 GPRESSAVG: 3076000 2.70786 -35.4124 21.3572 -34.0796 60.3429 5.32395 26.5121 7.39336 -52.796 TIMING: 3076000 CPU: 8928.78, 0.00292486/step Wall: 8928.78, 0.00292486/step, 1.56318 hours remaining, 206.019531 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: 3076000 758.3013 2068.7417 1964.5529 119.1399 -206536.5659 17850.8656 0.0000 0.0000 34294.8039 -149480.1605 299.5051 -183774.9644 -149379.2734 298.3469 -32.8386 3.5760 557434.2746 3.3851 3.4182 PRESSURE: 3076200 146.342 28.1326 -129.031 28.1328 -209.846 134.888 -129.03 134.888 -200.961 GPRESSURE: 3076200 139.519 72.5256 -149.593 89.6245 -165.688 119.865 -92.5261 185.023 -159.405 PRESSAVG: 3076200 11.6828 -46.2216 -5.63665 -46.2215 -8.15692 65.449 -5.63665 65.4489 -15.2307 GPRESSAVG: 3076200 12.5968 -46.4199 -3.00971 -45.3613 -8.60968 66.4837 -6.78001 63.7624 -15.6596 TIMING: 3076200 CPU: 8929.36, 0.00293849/step Wall: 8929.36, 0.00293849/step, 1.5703 hours remaining, 206.019531 MB of memory in use. ENERGY: 3076200 749.1646 2113.5204 1959.7340 114.4173 -206673.1614 17922.6921 0.0000 0.0000 34193.1654 -149620.4676 298.6174 -183813.6330 -149524.3876 298.6365 -88.1549 -61.8582 558180.1683 -3.9016 -3.8908 LDB: ============= START OF LOAD BALANCING ============== 8932.83 LDB: ============== END OF LOAD BALANCING =============== 8932.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8932.84 LDB: ============= START OF LOAD BALANCING ============== 8933.13 LDB: Largest compute 4821 load 0.030792 is 26.1% of average load 0.117784 LDB: Average compute 0.001716 is 1.5% of average load 0.117784 LDB: TIME 8933.13 LOAD: AVG 0.117784 MAX 0.179979 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.559 MB LDB: TIME 8933.13 LOAD: AVG 0.117784 MAX 0.179979 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: TIME 8933.13 LOAD: AVG 0.117784 MAX 0.179979 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.762 MB LDB: ============== END OF LOAD BALANCING =============== 8933.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8933.14 PRESSURE: 3076400 104.124 -104.669 98.9753 -104.669 198.371 211.187 98.975 211.188 -115.16 GPRESSURE: 3076400 93.3912 -75.6803 87.5475 -53.1501 244.474 138.087 105.791 258.025 -63.0337 PRESSAVG: 3076400 -6.75368 -8.52123 -5.29285 -8.52127 -29.8632 59.1533 -5.29298 59.1534 -19.7215 GPRESSAVG: 3076400 -8.35679 -7.36886 -4.61608 -8.00483 -28.0243 59.6668 -8.16006 59.5396 -19.6571 TIMING: 3076400 CPU: 8929.96, 0.00298621/step Wall: 8929.96, 0.00298621/step, 1.59563 hours remaining, 205.765625 MB of memory in use. ENERGY: 3076400 718.4842 2108.1718 1953.6187 113.3849 -206302.0643 17804.3953 0.0000 0.0000 34051.6227 -149552.3867 297.3813 -183604.0094 -149454.5936 298.0247 62.4454 91.6107 556071.7526 -18.7795 -18.6794 PRESSURE: 3076600 112.527 -0.62861 -29.5591 -0.628835 33.8371 -69.4164 -29.5583 -69.4166 -173.926 GPRESSURE: 3076600 239.786 19.0214 -43.4451 -72.0209 20.2539 -1.73261 52.4372 -60.9004 -190.531 PRESSAVG: 3076600 -65.234 -48.403 26.4346 -48.403 119.917 31.0504 26.4344 31.0504 -40.8441 GPRESSAVG: 3076600 -62.6243 -48.409 25.1214 -46.5991 117.857 30.8145 28.0312 32.4849 -40.8306 TIMING: 3076600 CPU: 8930.54, 0.00290731/step Wall: 8930.54, 0.00290731/step, 1.55331 hours remaining, 205.765625 MB of memory in use. ENERGY: 3076600 735.3976 2116.7969 1969.8453 122.6043 -206495.8391 17879.3107 0.0000 0.0000 34167.9428 -149503.9415 298.3971 -183671.8843 -149404.2814 298.5010 -9.1873 23.1695 557202.1343 4.6131 4.8007 PRESSURE: 3076800 -147.82 -44.371 13.7081 -44.3692 -456.582 209.019 13.7073 209.02 -345.953 GPRESSURE: 3076800 -168.365 -65.9707 35.7884 -60.9318 -392.932 176.389 50.9431 190.254 -289.066 PRESSAVG: 3076800 50.747 -9.9499 20.3871 -9.94998 -13.7354 -13.7528 20.3872 -13.7527 -28.1146 GPRESSAVG: 3076800 49.9943 -11.2372 20.4849 -11.8561 -13.0672 -12.1074 22.1636 -15.5993 -28.299 TIMING: 3076800 CPU: 8931.13, 0.00291449/step Wall: 8931.13, 0.00291449/step, 1.55698 hours remaining, 205.824219 MB of memory in use. ENERGY: 3076800 762.5998 2130.7376 1967.2261 119.7707 -205914.1835 17418.9783 0.0000 0.0000 33979.8581 -149535.0128 296.7546 -183514.8709 -149439.2574 298.4231 -316.7849 -283.4543 559318.0038 2.9657 2.8760 PRESSURE: 3077000 172.75 -172.528 83.0351 -172.528 30.7505 120.272 83.0361 120.273 299.526 GPRESSURE: 3077000 197.003 -212.797 35.5893 -111.719 92.3243 140.106 35.3277 70.3716 319.322 PRESSAVG: 3077000 1.6238 -35.9942 55.2716 -35.9941 30.1358 18.466 55.2716 18.4661 -20.1771 GPRESSAVG: 3077000 0.931398 -34.4859 55.1488 -35.838 29.9112 16.1585 54.7637 19.3359 -19.2814 TIMING: 3077000 CPU: 8931.71, 0.00291861/step Wall: 8931.71, 0.00291861/step, 1.55903 hours remaining, 205.824219 MB of memory in use. ENERGY: 3077000 737.4599 2074.7789 1994.0677 122.7695 -206476.8086 17985.5381 0.0000 0.0000 33929.4192 -149632.7753 296.3141 -183562.1945 -149536.1436 297.9211 167.6755 202.8832 555882.4518 3.8608 3.8538 PRESSURE: 3077200 260.565 62.5821 -5.73253 62.5824 -189.637 -113.04 -5.73253 -113.04 -162.788 GPRESSURE: 3077200 258.471 -10.5325 -40.3149 116.102 -194.414 -63.3444 36.4193 -39.1244 -63.8533 PRESSAVG: 3077200 12.9352 -55.4744 17.7421 -55.4743 -20.3187 -13.8339 17.7422 -13.8338 -0.659197 GPRESSAVG: 3077200 13.3486 -56.1687 19.0179 -55.7769 -20.2463 -13.8978 16.3382 -14.4432 -1.08158 TIMING: 3077200 CPU: 8932.3, 0.00295453/step Wall: 8932.3, 0.00295453/step, 1.57805 hours remaining, 205.824219 MB of memory in use. ENERGY: 3077200 763.8417 2084.1404 1952.0612 111.5129 -206514.2250 18007.7853 0.0000 0.0000 33977.0631 -149617.8204 296.7301 -183594.8835 -149522.1127 297.8346 -30.6201 0.0679 557539.3766 -2.6809 -2.6598 PRESSURE: 3077400 3.22581 -55.7904 -53.609 -55.7908 -202.434 129.663 -53.6091 129.662 -156.704 GPRESSURE: 3077400 29.1269 -70.0903 -10.6623 -85.3227 -154.529 151.447 -22.5483 45.252 -129.35 PRESSAVG: 3077400 -22.0493 -2.90843 19.9679 -2.90847 83.7497 -36.4271 19.968 -36.4272 -42.4697 GPRESSAVG: 3077400 -23.7263 -3.45153 20.2028 -2.29255 84.6639 -37.3572 21.0504 -34.3773 -41.4625 TIMING: 3077400 CPU: 8932.88, 0.00290018/step Wall: 8932.88, 0.00290018/step, 1.54886 hours remaining, 205.824219 MB of memory in use. ENERGY: 3077400 744.6147 2101.3846 1964.4174 101.4580 -206386.7443 17631.9667 0.0000 0.0000 34194.0907 -149648.8123 298.6255 -183842.9030 -149549.6105 298.1049 -118.6375 -84.9174 556231.0664 6.4102 6.4917 PRESSURE: 3077600 -75.6575 -59.6953 118.395 -59.6944 -6.45411 82.9055 118.394 82.9051 16.9119 GPRESSURE: 3077600 -44.8317 -45.9815 56.8345 -52.6097 66.4596 76.6051 115.915 116.801 -2.46229 PRESSAVG: 3077600 16.1336 -8.14276 76.2072 -8.14277 70.9734 0.994052 76.2074 0.994086 -46.3508 GPRESSAVG: 3077600 19.3546 -7.96025 74.5115 -10.0737 68.9076 1.70951 76.2839 1.51834 -47.4225 TIMING: 3077600 CPU: 8933.46, 0.00290814/step Wall: 8933.46, 0.00290814/step, 1.55295 hours remaining, 205.824219 MB of memory in use. ENERGY: 3077600 708.8588 2054.3668 1975.5065 132.3295 -206065.5343 17620.0040 0.0000 0.0000 34057.5312 -149516.9375 297.4329 -183574.4687 -149420.8115 298.8395 -21.7333 6.3885 556578.6516 13.5854 13.6133 PRESSURE: 3077800 -122.157 -116.607 -47.8095 -116.606 -185.603 -145.621 -47.8091 -145.622 137.819 GPRESSURE: 3077800 -115.994 -177.826 -49.8893 -32.973 -154.577 -158.026 -57.944 -16.2553 192.358 PRESSAVG: 3077800 23.3121 27.118 45.1972 27.118 -21.5543 24.3648 45.1973 24.365 51.4632 GPRESSAVG: 3077800 22.1965 27.4463 45.8705 29.7807 -19.8991 26.2289 45.5557 20.717 51.6218 TIMING: 3077800 CPU: 8934.04, 0.00287017/step Wall: 8934.04, 0.00287017/step, 1.53251 hours remaining, 205.824219 MB of memory in use. ENERGY: 3077800 695.5245 2068.8712 1934.7059 104.3258 -206323.8516 17740.6080 0.0000 0.0000 34229.4442 -149550.3719 298.9342 -183779.8161 -149458.5104 298.6137 -56.6471 -26.0709 557785.5977 17.7403 17.9731 PRESSURE: 3078000 -121.163 155.271 -78.9167 155.271 -9.99818 -108.744 -78.915 -108.744 210.486 GPRESSURE: 3078000 -44.1606 130.799 -135.964 67.4054 1.56946 3.27348 -58.0019 -130.437 219.957 PRESSAVG: 3078000 -29.6077 28.0443 -44.6944 28.0443 -12.5634 -0.962138 -44.6945 -0.962206 14.6298 GPRESSAVG: 3078000 -29.9837 29.6228 -46.6602 26.3777 -12.7508 -3.04201 -43.519 0.0827706 14.6756 TIMING: 3078000 CPU: 8934.62, 0.00293057/step Wall: 8934.62, 0.00293057/step, 1.5646 hours remaining, 205.824219 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: 3078000 788.2540 2062.2948 1988.1766 108.7764 -206499.2751 17847.9155 0.0000 0.0000 34271.6094 -149432.2484 299.3025 -183703.8578 -149333.9370 298.8958 26.4417 59.1219 556102.1527 -9.1804 -9.3530 PRESSURE: 3078200 -54.8778 -106.234 -231.922 -106.235 217.947 -2.13808 -231.921 -2.1369 -228.516 GPRESSURE: 3078200 -7.11846 -73.3365 -177.895 -49.372 226.327 -24.7318 -234.182 -8.76857 -201.991 PRESSAVG: 3078200 -12.6921 0.740067 -0.0246067 0.740099 -7.28518 -60.9868 -0.0246563 -60.9869 12.8245 GPRESSAVG: 3078200 -13.1108 0.0985262 2.39509 0.544904 -6.10614 -60.7658 -1.90506 -59.6541 12.061 TIMING: 3078200 CPU: 8935.2, 0.00290522/step Wall: 8935.2, 0.00290522/step, 1.5509 hours remaining, 205.824219 MB of memory in use. ENERGY: 3078200 751.1016 2114.6446 1951.3169 95.2759 -206509.4698 17899.0359 0.0000 0.0000 34332.7787 -149365.3162 299.8367 -183698.0949 -149269.4035 299.1618 -21.8154 5.7392 557821.6037 -2.3843 -2.3853 PRESSURE: 3078400 -145.439 -137.17 -38.4463 -137.169 52.681 69.9508 -38.4461 69.9501 -169.77 GPRESSURE: 3078400 -176.301 -116.554 -15.6076 -60.6193 103.265 100.067 16.4927 166.86 -83.5731 PRESSAVG: 3078400 -82.3481 -9.88096 -1.74292 -9.88103 73.3701 2.47099 -1.74286 2.47097 -1.05284 GPRESSAVG: 3078400 -82.6864 -10.9315 -2.58035 -8.03893 73.0748 1.41696 -0.0629181 1.17035 0.00170365 TIMING: 3078400 CPU: 8935.78, 0.00289119/step Wall: 8935.78, 0.00289119/step, 1.54325 hours remaining, 205.824219 MB of memory in use. ENERGY: 3078400 793.8613 2089.8198 1938.7496 115.2076 -206488.9421 18000.9488 0.0000 0.0000 34090.4114 -149459.9436 297.7200 -183550.3549 -149361.9848 298.8964 -87.5091 -52.2028 558104.9661 -3.3436 -3.2033 PRESSURE: 3078600 -185.935 -208.885 -22.7462 -208.886 -38.0905 166.911 -22.7477 166.912 -184.745 GPRESSURE: 3078600 -146.684 -221.833 8.28158 -182.721 -10.9686 144.776 19.2695 181.509 -154.675 PRESSAVG: 3078600 25.474 -7.8819 -23.2228 -7.88191 9.95338 -10.5272 -23.2228 -10.5271 -38.9679 GPRESSAVG: 3078600 25.0037 -7.87606 -22.8041 -6.65123 9.37851 -8.86987 -23.5392 -11.1114 -38.0215 TIMING: 3078600 CPU: 8936.36, 0.00288524/step Wall: 8936.36, 0.00288524/step, 1.53992 hours remaining, 205.824219 MB of memory in use. ENERGY: 3078600 767.0746 2032.3895 1945.2990 108.3861 -206387.0910 17908.3929 0.0000 0.0000 34090.7325 -149534.8163 297.7228 -183625.5488 -149440.1697 298.3135 -136.2568 -104.1093 558036.4909 -1.1802 -1.2131 PRESSURE: 3078800 72.8268 187.692 110.062 187.692 -117.384 34.8673 110.063 34.865 -50.0263 GPRESSURE: 3078800 80.4324 156.839 44.2257 157.646 -51.8058 66.0924 141.804 -6.43671 -32.5475 PRESSAVG: 3078800 -8.1825 -10.8161 37.532 -10.8161 26.7243 1.14221 37.532 1.14217 -20.6029 GPRESSAVG: 3078800 -7.60256 -10.5529 38.181 -12.4055 26.8541 0.32064 36.1749 2.79762 -20.687 TIMING: 3078800 CPU: 8936.95, 0.00293135/step Wall: 8936.95, 0.00293135/step, 1.56436 hours remaining, 205.824219 MB of memory in use. ENERGY: 3078800 732.6829 2067.8952 1942.1578 121.7395 -206143.7098 17703.7165 0.0000 0.0000 34126.6078 -149448.9101 298.0362 -183575.5179 -149350.7594 299.2052 -31.5277 -1.3070 556791.6875 -0.6870 -0.4785 PRESSURE: 3079000 307.328 91.5166 5.89026 91.5188 249.185 -176.026 5.88999 -176.024 231.441 GPRESSURE: 3079000 385.297 24.1516 10.5452 109.937 272.744 -162.001 -53.4033 -203.971 229.348 PRESSAVG: 3079000 37.4893 -47.4278 48.9558 -47.4277 -5.3537 -19.993 48.9558 -19.9929 -29.6884 GPRESSAVG: 3079000 38.0237 -48.88 48.5607 -48.0156 -4.88594 -19.7997 49.6636 -22.4693 -30.2133 TIMING: 3079000 CPU: 8937.52, 0.00289703/step Wall: 8937.52, 0.00289703/step, 1.54589 hours remaining, 205.824219 MB of memory in use. ENERGY: 3079000 724.0079 2079.0521 1983.7879 106.3808 -206566.1431 18198.4505 0.0000 0.0000 34210.3108 -149264.1531 298.7672 -183474.4639 -149168.1401 298.8731 262.6512 295.7967 555913.3542 0.8157 0.9748 PRESSURE: 3079200 265.098 27.776 -24.293 27.7764 -154.395 124.697 -24.2914 124.698 -44.4226 GPRESSURE: 3079200 285.409 47.5366 -101.35 76.9495 -129.113 68.6119 -50.4491 46.5959 4.10252 PRESSAVG: 3079200 -30.2283 -47.4533 12.0726 -47.4533 44.7354 7.96038 12.0726 7.96037 0.129092 GPRESSAVG: 3079200 -29.6306 -47.1238 12.7008 -45.3538 45.1054 8.84605 10.6787 10.3202 -1.1287 TIMING: 3079200 CPU: 8938.11, 0.00292991/step Wall: 8938.11, 0.00292991/step, 1.56327 hours remaining, 205.824219 MB of memory in use. ENERGY: 3079200 739.2119 2080.1613 1959.1475 131.0398 -206403.2487 18033.9735 0.0000 0.0000 34268.3451 -149191.3696 299.2740 -183459.7147 -149096.9093 299.2964 22.0934 53.4663 558549.6792 4.8787 4.7820 PRESSURE: 3079400 -139.932 -95.5386 101.612 -95.5394 31.1843 -114.473 101.612 -114.474 -85.387 GPRESSURE: 3079400 -86.5144 -95.2534 219.295 -138.999 39.9456 -66.8686 49.7468 -143.281 -53.8034 PRESSAVG: 3079400 29.816 0.00667552 -19.6888 0.00674736 88.1024 9.04411 -19.6888 9.04409 -18.027 GPRESSAVG: 3079400 29.9236 0.346459 -21.549 -3.3188 87.3705 9.71179 -15.607 7.87252 -16.9189 TIMING: 3079400 CPU: 8938.7, 0.00292319/step Wall: 8938.7, 0.00292319/step, 1.55952 hours remaining, 205.824219 MB of memory in use. ENERGY: 3079400 723.3109 2093.3314 1958.8016 104.5295 -205963.3395 17667.7773 0.0000 0.0000 34290.2639 -149125.3249 299.4654 -183415.5888 -149024.8451 299.4073 -64.7115 -33.4574 557418.2934 33.2971 33.4584 PRESSURE: 3079600 78.7348 -2.11954 -56.2472 -2.12076 87.6458 -30.5793 -56.2475 -30.5789 133.496 GPRESSURE: 3079600 157.266 -26.354 -32.1142 11.6598 116.693 -57.9707 -63.5867 27.6439 124.235 PRESSAVG: 3079600 29.3772 28.0706 5.30847 28.0706 -35.9216 37.2128 5.30845 37.2128 -43.6297 GPRESSAVG: 3079600 28.2233 28.1629 3.13493 30.0316 -35.5121 35.8348 3.99919 37.4168 -42.9064 TIMING: 3079600 CPU: 8939.28, 0.00290991/step Wall: 8939.28, 0.00290991/step, 1.55228 hours remaining, 205.824219 MB of memory in use. ENERGY: 3079600 689.1910 2060.5198 1951.6813 116.5873 -206298.4034 17880.2162 0.0000 0.0000 34373.3758 -149226.8320 300.1912 -183600.2078 -149132.9407 299.2204 99.9590 132.7312 555754.9436 -16.7247 -16.7317 PRESSURE: 3079800 -39.7203 -55.1062 -16.3107 -55.1055 -85.7021 -54.8445 -16.3124 -54.8445 -67.4377 GPRESSURE: 3079800 -2.37598 8.09506 87.2926 -8.65667 -25.4769 -22.2044 -57.1495 -28.4436 -78.2044 PRESSAVG: 3079800 -23.6241 -9.50055 -0.251826 -9.50039 15.9521 9.87835 -0.2519 9.87825 41.784 GPRESSAVG: 3079800 -23.2288 -12.3057 5.42175 -8.46499 16.126 10.1312 -4.00196 9.87407 40.7343 TIMING: 3079800 CPU: 8939.86, 0.00290609/step Wall: 8939.86, 0.00290609/step, 1.55007 hours remaining, 205.824219 MB of memory in use. ENERGY: 3079800 728.4184 2073.1894 1981.3863 103.6887 -206069.3685 17645.2950 0.0000 0.0000 34186.8614 -149350.5292 298.5624 -183537.3907 -149253.9216 299.3554 -64.2867 -35.3525 557284.2393 11.3707 11.2105 PRESSURE: 3080000 -309.843 -44.5111 66.5502 -44.5107 -138.86 7.22088 66.55 7.2207 192.754 GPRESSURE: 3080000 -224.007 -178.457 66.7241 -63.8278 -159.86 -56.6475 107.197 -14.4161 221.385 PRESSAVG: 3080000 4.08702 -7.87492 60.3128 -7.87488 2.18543 34.1991 60.3128 34.1992 -18.1371 GPRESSAVG: 3080000 3.64152 -5.21755 56.8784 -9.70849 3.21873 34.753 64.3098 32.6312 -18.6885 TIMING: 3080000 CPU: 8940.44, 0.00288856/step Wall: 8940.44, 0.00288856/step, 1.54057 hours remaining, 205.824219 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: 3080000 733.6557 2112.5318 1963.9174 122.7131 -206200.3551 17828.1255 0.0000 0.0000 34143.7222 -149295.6895 298.1856 -183439.4117 -149204.4693 298.5137 -85.3164 -54.1607 557892.5546 -3.9549 -3.9428 PRESSURE: 3080200 -206.83 -100.006 -43.0467 -100.008 132.342 67.9572 -43.0466 67.9567 -156.313 GPRESSURE: 3080200 -145.218 -10.7686 -89.0299 -42.4763 118.159 55.9182 -124.438 80.6568 -108.488 PRESSAVG: 3080200 -21.2385 -10.0382 37.0728 -10.0382 10.8969 -5.74276 37.0728 -5.74285 39.674 GPRESSAVG: 3080200 -20.1024 -10.3111 36.9557 -9.87833 10.0104 -7.99665 36.3939 -3.13467 39.4132 TIMING: 3080200 CPU: 8941.01, 0.002889/step Wall: 8941.01, 0.002889/step, 1.54064 hours remaining, 205.824219 MB of memory in use. ENERGY: 3080200 743.6615 2128.8506 1963.5329 114.2896 -206278.5296 17955.5597 0.0000 0.0000 34227.3114 -149145.3239 298.9156 -183372.6353 -149040.3520 298.4942 -76.9334 -45.1825 558618.6791 9.7775 9.7737 LDB: ============= START OF LOAD BALANCING ============== 8944.48 LDB: ============== END OF LOAD BALANCING =============== 8944.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8944.48 LDB: ============= START OF LOAD BALANCING ============== 8944.78 LDB: Largest compute 4848 load 0.031919 is 27.1% of average load 0.117848 LDB: Average compute 0.001713 is 1.5% of average load 0.117848 LDB: TIME 8944.78 LOAD: AVG 0.117848 MAX 0.178004 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 8944.78 LOAD: AVG 0.117848 MAX 0.178004 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 8944.78 LOAD: AVG 0.117848 MAX 0.178004 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 8944.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8944.78 PRESSURE: 3080400 -106.002 95.7047 0.111698 95.7055 136.565 141.864 0.112469 141.863 67.0203 GPRESSURE: 3080400 -46.0955 172.798 -20.1689 74.6374 134.787 78.0977 -21.8932 153.037 112.807 PRESSAVG: 3080400 -60.1682 3.57224 18.3388 3.57235 32.3818 36.7371 18.3388 36.7371 44.959 GPRESSAVG: 3080400 -60.3041 4.26507 19.0408 3.40398 32.2605 37.2179 18.7363 36.88 45.699 TIMING: 3080400 CPU: 8941.61, 0.00297156/step Wall: 8941.61, 0.00297156/step, 1.5845 hours remaining, 206.078125 MB of memory in use. ENERGY: 3080400 712.6310 2104.4934 1949.4390 122.4676 -205844.0489 17701.4434 0.0000 0.0000 34209.4822 -149044.0923 298.7599 -183253.5744 -148948.6989 299.3348 32.5280 67.1662 557756.9438 5.7242 5.8851 PRESSURE: 3080600 -96.0321 -2.6316 -9.39422 -2.63097 243.49 169.547 -9.39493 169.546 -60.5993 GPRESSURE: 3080600 -93.5421 54.0733 -12.1823 -16.43 270.914 146.804 -71.2557 108.212 14.3606 PRESSAVG: 3080600 -16.6774 -28.3925 33.2078 -28.3926 26.508 9.42504 33.2076 9.42501 -60.8329 GPRESSAVG: 3080600 -17.4906 -29.5926 32.1594 -28.2783 27.953 11.285 32.9091 7.09365 -61.393 TIMING: 3080600 CPU: 8942.19, 0.00289544/step Wall: 8942.19, 0.00289544/step, 1.54375 hours remaining, 206.078125 MB of memory in use. ENERGY: 3080600 718.5061 2156.5533 1960.2313 114.6313 -206634.8605 18066.1365 0.0000 0.0000 34424.0782 -149194.7238 300.6340 -183618.8019 -149099.7774 299.0131 28.9529 63.9109 557905.1397 -17.0008 -16.9769 PRESSURE: 3080800 129.347 -65.2317 66.6957 -65.2322 295.52 -122.516 66.6969 -122.518 92.5802 GPRESSURE: 3080800 154.471 -68.371 26.4805 -60.5259 328.323 -88.3626 49.0533 -177.275 135.28 PRESSAVG: 3080800 -40.8275 -7.12324 -9.01564 -7.12331 82.9704 -37.5837 -9.01569 -37.5837 -30.9784 GPRESSAVG: 3080800 -41.2231 -6.73247 -7.28432 -7.14277 82.5433 -39.0251 -10.892 -37.3708 -30.7387 TIMING: 3080800 CPU: 8942.77, 0.00288899/step Wall: 8942.77, 0.00288899/step, 1.54015 hours remaining, 206.078125 MB of memory in use. ENERGY: 3080800 728.1631 2067.9184 1954.4272 121.7271 -206511.1646 18012.6135 0.0000 0.0000 34212.2506 -149414.0647 298.7841 -183626.3153 -149317.5455 298.5501 172.4822 206.0248 557580.3084 3.7215 3.5272 PRESSURE: 3081000 -46.219 68.6707 -29.4243 68.6715 -212.075 -71.2488 -29.4235 -71.2499 -140.799 GPRESSURE: 3081000 55.6609 -12.863 13.3574 112.158 -197.008 -60.2218 -18.5458 -119.397 -159.11 PRESSAVG: 3081000 34.9385 43.9646 11.0163 43.9646 -26.5976 -19.9026 11.0163 -19.9026 0.29236 GPRESSAVG: 3081000 35.8092 43.1046 9.23803 42.2763 -27.1809 -21.7477 13.6873 -17.115 0.0596594 TIMING: 3081000 CPU: 8943.35, 0.0029137/step Wall: 8943.35, 0.0029137/step, 1.55317 hours remaining, 206.078125 MB of memory in use. ENERGY: 3081000 755.5713 2088.9442 1956.2630 106.7931 -206197.1379 17638.6147 0.0000 0.0000 34170.7342 -149480.2174 298.4215 -183650.9516 -149386.9362 298.1090 -133.0313 -100.1525 558220.0591 2.8777 2.8960 PRESSURE: 3081200 104.209 94.3362 -117.37 94.3363 -26.5497 126.814 -117.371 126.814 -267.184 GPRESSURE: 3081200 158.628 64.1588 -69.6512 92.3221 -19.2857 123.272 -231.704 104.681 -230.095 PRESSAVG: 3081200 -26.3515 -35.2364 -37.0004 -35.2364 -0.367495 -47.8022 -37.0004 -47.8023 1.94823 GPRESSAVG: 3081200 -27.0747 -35.8404 -36.5523 -33.6175 -0.273878 -43.659 -38.0719 -51.6411 2.17873 TIMING: 3081200 CPU: 8943.93, 0.00291023/step Wall: 8943.93, 0.00291023/step, 1.55115 hours remaining, 206.078125 MB of memory in use. ENERGY: 3081200 748.2890 2052.7627 1957.1402 110.0765 -206249.0463 17871.5450 0.0000 0.0000 34281.9566 -149227.2764 299.3929 -183509.2330 -149136.4623 298.6936 -63.1749 -30.2510 557770.5599 -8.2569 -8.3899 PRESSURE: 3081400 -8.48056 69.9183 -23.1908 69.9178 21.9457 61.2249 -23.1912 61.2259 -139.512 GPRESSURE: 3081400 34.2433 81.6461 -124.008 94.1945 -10.9589 87.6225 31.7601 71.1423 -61.2282 PRESSAVG: 3081400 -3.68541 2.41194 -13.5376 2.41195 17.7316 47.6896 -13.5376 47.6896 -28.3547 GPRESSAVG: 3081400 -4.08665 3.31358 -12.7748 3.34147 17.7679 43.1984 -13.59 51.3106 -28.2126 TIMING: 3081400 CPU: 8944.51, 0.00289393/step Wall: 8944.51, 0.00289393/step, 1.5423 hours remaining, 206.078125 MB of memory in use. ENERGY: 3081400 750.2006 2117.1456 1940.7415 100.0862 -205809.2072 17689.0287 0.0000 0.0000 33925.7802 -149286.2244 296.2823 -183212.0046 -149188.7382 298.6250 -42.0155 -12.6479 557354.6518 -4.7695 -4.8438 PRESSURE: 3081600 72.3309 92.3467 13.8513 92.3465 166.529 -116.5 13.8526 -116.5 7.64359 GPRESSURE: 3081600 125.08 95.8296 8.92187 32.4786 123.872 -152.144 4.45923 -70.6547 89.6614 PRESSAVG: 3081600 61.9687 -0.142687 -15.3178 -0.142696 9.94174 2.49847 -15.3178 2.49844 -37.8642 GPRESSAVG: 3081600 62.9789 0.170223 -16.7829 -0.669717 10.2462 4.44798 -15.3008 -0.6465 -39.1844 TIMING: 3081600 CPU: 8945.09, 0.00288881/step Wall: 8945.09, 0.00288881/step, 1.53942 hours remaining, 206.078125 MB of memory in use. ENERGY: 3081600 750.0892 2110.1770 1953.6900 109.3822 -206174.6284 17920.3347 0.0000 0.0000 34161.7215 -149169.2338 298.3428 -183330.9553 -149073.2934 299.1061 82.1679 112.8711 556054.8098 11.3487 11.3469 PRESSURE: 3081800 -77.1432 -31.2328 19.4764 -31.2319 -82.1622 -88.7188 19.4763 -88.7203 -229.777 GPRESSURE: 3081800 -69.0762 -8.56293 -53.8096 -26.3719 -35.3039 -122.953 131.226 -40.9051 -193.012 PRESSAVG: 3081800 6.99596 -1.79384 17.7454 -1.79387 21.2707 -22.3118 17.7453 -22.3119 -45.552 GPRESSAVG: 3081800 7.16395 -1.47998 17.6149 -0.961046 21.1587 -21.2649 19.1945 -21.7341 -45.6881 TIMING: 3081800 CPU: 8945.66, 0.00288874/step Wall: 8945.66, 0.00288874/step, 1.53922 hours remaining, 206.222656 MB of memory in use. ENERGY: 3081800 753.7037 2047.3010 1979.7640 117.4589 -206037.8945 17726.1252 0.0000 0.0000 34327.1065 -149086.4351 299.7872 -183413.5416 -148992.5876 299.3446 -129.6942 -99.1307 557979.6722 -5.7618 -5.7885 PRESSURE: 3082000 412.666 -50.9508 129.813 -50.9511 51.5118 -29.6545 129.812 -29.6543 169.873 GPRESSURE: 3082000 403.575 -145.97 117.915 -79.9666 125.819 30.6867 71.1065 -57.6427 198.496 PRESSAVG: 3082000 -24.414 16.6195 -5.5232 16.6195 16.6725 28.941 -5.52317 28.9411 20.0703 GPRESSAVG: 3082000 -24.7273 16.0677 -4.81063 16.9193 16.6698 27.289 -7.306 28.1735 20.5737 TIMING: 3082000 CPU: 8946.25, 0.00291188/step Wall: 8946.25, 0.00291188/step, 1.55138 hours remaining, 206.222656 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: 3082000 727.5190 2039.6228 1949.7820 106.2385 -206679.7761 18213.0981 0.0000 0.0000 34484.3848 -149159.1309 301.1607 -183643.5156 -149058.7663 299.9463 211.3503 242.6297 556411.6304 4.1096 4.1721 PRESSURE: 3082200 -76.078 115.796 -79.3771 115.796 -150.844 9.59942 -79.376 9.6007 115.217 GPRESSURE: 3082200 -75.8774 64.7609 -52.3552 63.143 -99.3731 2.01668 -71.1678 2.07439 170.285 PRESSAVG: 3082200 -11.5969 -9.48015 26.4684 -9.48026 -45.7421 -0.556833 26.4685 -0.556819 32.8952 GPRESSAVG: 3082200 -12.187 -10.6737 27.2167 -8.73957 -44.9205 -0.584332 26.6181 0.695569 33.0196 TIMING: 3082200 CPU: 8946.83, 0.00290425/step Wall: 8946.83, 0.00290425/step, 1.54716 hours remaining, 206.222656 MB of memory in use. ENERGY: 3082200 747.2684 2063.8806 1964.1804 111.6256 -206417.9430 17933.8656 0.0000 0.0000 34388.3388 -149208.7836 300.3219 -183597.1224 -149116.2295 299.7011 -37.2348 -1.6550 558191.4293 -8.1479 -8.0293 PRESSURE: 3082400 176.268 -31.8444 -102.86 -31.8443 -15.9235 -13.5733 -102.862 -13.5739 98.4621 GPRESSURE: 3082400 215.504 -82.556 -117.457 2.99568 74.7842 21.6858 -171.947 -56.3247 69.898 PRESSAVG: 3082400 -40.3033 23.5279 -28.9508 23.528 58.3026 3.63893 -28.9508 3.63904 -26.6548 GPRESSAVG: 3082400 -39.4543 23.7133 -27.6312 22.6336 58.5041 3.96885 -29.2144 3.67083 -27.2416 TIMING: 3082400 CPU: 8947.41, 0.00290258/step Wall: 8947.41, 0.00290258/step, 1.54611 hours remaining, 206.222656 MB of memory in use. ENERGY: 3082400 761.7061 2079.1258 1961.6682 116.4226 -206280.3564 18082.5105 0.0000 0.0000 34097.8537 -149181.0696 297.7850 -183278.9233 -149092.7985 298.9773 86.2687 120.0621 558505.1241 -2.8852 -2.7306 PRESSURE: 3082600 335.96 -42.7542 155.94 -42.755 197.621 158.217 155.94 158.217 113.057 GPRESSURE: 3082600 290.329 -49.0447 131.092 -7.58677 256.719 171.443 126.88 78.4384 195.705 PRESSAVG: 3082600 -2.03566 -15.4138 -5.11665 -15.4138 20.8846 -50.6951 -5.11675 -50.6952 30.4929 GPRESSAVG: 3082600 -1.85857 -13.8602 -6.61159 -14.9733 19.1991 -49.0263 -3.40474 -52.5171 31.8604 TIMING: 3082600 CPU: 8947.99, 0.00289851/step Wall: 8947.99, 0.00289851/step, 1.54378 hours remaining, 206.222656 MB of memory in use. ENERGY: 3082600 731.7714 2067.2793 1958.2042 116.1710 -206307.4900 18144.8604 0.0000 0.0000 34054.8271 -149234.3766 297.4093 -183289.2036 -149130.6237 298.9149 215.5460 247.5845 556665.4565 16.4473 16.4003 PRESSURE: 3082800 -85.2241 34.4743 -5.00534 34.4747 -35.1062 38.9546 -5.00575 38.9555 12.2831 GPRESSURE: 3082800 -59.6528 -1.15358 -68.2334 -44.254 43.5824 71.3601 37.6171 -3.02882 15.3373 PRESSAVG: 3082800 10.8304 -19.5506 25.2505 -19.5507 -1.50476 5.0822 25.2505 5.08215 3.23975 GPRESSAVG: 3082800 10.508 -18.687 25.8497 -21.4479 -1.921 4.5375 26.4546 7.9979 4.17721 TIMING: 3082800 CPU: 8948.57, 0.00290084/step Wall: 8948.57, 0.00290084/step, 1.54486 hours remaining, 206.222656 MB of memory in use. ENERGY: 3082800 780.0624 2107.5985 1940.8649 111.4886 -205906.7841 17674.6251 0.0000 0.0000 34259.3723 -149032.7723 299.1956 -183292.1446 -148937.6441 299.7459 -36.0158 -0.2444 555949.1991 4.1885 4.2547 PRESSURE: 3083000 -177.128 -126.547 -74.6952 -126.546 125.153 37.1877 -74.694 37.1885 -93.079 GPRESSURE: 3083000 -164.362 -70.7749 -35.3569 -129.062 167.83 20.9488 -81.1853 41.2556 -52.2447 PRESSAVG: 3083000 13.7924 -16.9698 -74.2166 -16.9699 30.2627 0.066818 -74.2165 0.0668752 -32.7278 GPRESSAVG: 3083000 13.5778 -18.3952 -73.745 -14.9737 30.7933 1.59939 -76.0155 -0.880052 -32.8872 TIMING: 3083000 CPU: 8949.15, 0.00291534/step Wall: 8949.15, 0.00291534/step, 1.55242 hours remaining, 206.222656 MB of memory in use. ENERGY: 3083000 757.3891 2141.9789 1912.6263 100.9427 -206304.8981 17869.4144 0.0000 0.0000 34320.1914 -149202.3554 299.7268 -183522.5468 -149104.0983 298.9784 -48.3514 -16.2588 557492.7782 3.7758 3.8280 PRESSURE: 3083200 78.2416 -63.5533 -56.7802 -63.554 216.832 122.526 -56.7803 122.526 -408.896 GPRESSURE: 3083200 130.685 29.3057 11.2421 -43.9298 197.834 140.481 -105.49 77.1307 -351.993 PRESSAVG: 3083200 27.0115 -9.19939 -22.1267 -9.19945 25.8824 23.1472 -22.1266 23.1472 -12.2593 GPRESSAVG: 3083200 26.8841 -8.04119 -23.6225 -11.9868 26.8796 21.3025 -21.3613 22.1729 -12.8393 TIMING: 3083200 CPU: 8949.73, 0.00290061/step Wall: 8949.73, 0.00290061/step, 1.54442 hours remaining, 206.222656 MB of memory in use. ENERGY: 3083200 734.9567 2058.2816 1959.0493 107.4072 -206232.4960 18009.2382 0.0000 0.0000 34266.6261 -149096.9369 299.2590 -183363.5630 -148999.1193 299.0564 -37.9408 -7.8247 558775.1514 13.5448 13.6415 PRESSURE: 3083400 12.1023 6.25612 25.6212 6.25731 -166.592 112.355 25.6213 112.356 -141.755 GPRESSURE: 3083400 78.4325 -111.12 4.57429 8.44755 -191.835 189.934 70.0669 29.0471 -90.6465 PRESSAVG: 3083400 50.3254 13.726 64.4389 13.726 -26.0671 -26.1972 64.4389 -26.1972 -51.8916 GPRESSAVG: 3083400 52.0595 13.1218 66.3471 15.8664 -26.1011 -25.8998 64.6427 -25.4231 -53.7111 TIMING: 3083400 CPU: 8950.31, 0.00291414/step Wall: 8950.31, 0.00291414/step, 1.55146 hours remaining, 206.222656 MB of memory in use. ENERGY: 3083400 770.6227 2137.6460 1935.6358 113.6662 -206264.3523 17816.9012 0.0000 0.0000 34286.4920 -149203.3885 299.4325 -183489.8805 -149110.9747 299.3240 -98.7482 -68.0163 556783.3420 -9.2111 -9.2509 PRESSURE: 3083600 -73.2404 106.949 90.2876 106.948 -60.9717 5.14336 90.2879 5.14169 26.8505 GPRESSURE: 3083600 -80.3497 100.871 82.6592 -21.4474 2.31262 -76.2084 167.038 72.3974 54.3197 PRESSAVG: 3083600 -34.8357 -10.392 22.3578 -10.392 2.16914 -21.6863 22.3577 -21.6863 13.3219 GPRESSAVG: 3083600 -35.6372 -9.837 19.0892 -11.3818 1.10951 -23.2568 22.0541 -21.7481 14.8618 TIMING: 3083600 CPU: 8950.89, 0.00290377/step Wall: 8950.89, 0.00290376/step, 1.54577 hours remaining, 206.222656 MB of memory in use. ENERGY: 3083600 760.9043 2103.5872 1964.4576 107.3072 -205910.9804 17628.8947 0.0000 0.0000 34054.3431 -149291.4864 297.4050 -183345.8295 -149194.5434 298.6235 -35.7872 -7.9058 555327.0440 -6.4482 -6.5553 PRESSURE: 3083800 40.8714 -155.395 43.8813 -155.394 -229.944 12.0492 43.8809 12.0477 -148.856 GPRESSURE: 3083800 34.3058 -221.193 88.1508 -163.737 -175.555 28.2488 133.707 -24.2481 -106.138 PRESSAVG: 3083800 23.3682 -44.8657 63.3325 -44.8657 12.586 -5.3229 63.3326 -5.32293 5.95899 GPRESSAVG: 3083800 23.3099 -45.1725 65.3049 -44.8185 12.6322 -4.44948 63.7879 -4.92718 6.55495 TIMING: 3083800 CPU: 8951.48, 0.00292194/step Wall: 8951.48, 0.00292194/step, 1.55528 hours remaining, 206.222656 MB of memory in use. ENERGY: 3083800 751.8498 2078.3980 1955.6861 103.2840 -205829.4913 17617.0665 0.0000 0.0000 34109.5284 -149213.6785 297.8870 -183323.2069 -149119.0567 298.8886 -112.6431 -82.4625 556817.2640 13.9711 14.1657 PRESSURE: 3084000 49.4317 184.837 -28.4599 184.836 187.241 -70.6651 -28.4613 -70.6646 -190.613 GPRESSURE: 3084000 94.6866 169.64 -118.467 225.451 202.398 45.8369 -43.6611 -148.436 -148.996 PRESSAVG: 3084000 58.5621 -12.0139 52.5092 -12.0139 -37.3776 -43.4286 52.5092 -43.4287 16.9386 GPRESSAVG: 3084000 59.8151 -12.4382 53.0572 -12.4026 -36.7556 -41.7435 51.8839 -45.3707 15.0755 TIMING: 3084000 CPU: 8952.06, 0.00290916/step Wall: 8952.06, 0.00290916/step, 1.54832 hours remaining, 206.222656 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: 3084000 765.1507 2044.1377 1956.5604 123.7895 -206606.7332 18076.7498 0.0000 0.0000 34348.6498 -149291.6952 299.9753 -183640.3450 -149192.9303 298.8759 15.3534 49.3627 557348.8527 12.7077 12.7117 PRESSURE: 3084200 -97.4236 -39.7081 100.196 -39.7083 -243.755 132.072 100.196 132.072 -43.8732 GPRESSURE: 3084200 -32.4675 39.1025 112.589 -38.6508 -246.724 78.8844 141.18 147.042 -6.04976 PRESSAVG: 3084200 36 54.4829 20.5 54.4829 -32.4023 22.7702 20.5 22.7701 -0.15611 GPRESSAVG: 3084200 35.1083 56.2505 17.028 53.8172 -33.1544 22.3762 22.2287 22.1093 1.53686 TIMING: 3084200 CPU: 8952.64, 0.00291389/step Wall: 8952.64, 0.00291389/step, 1.55068 hours remaining, 206.222656 MB of memory in use. ENERGY: 3084200 739.1550 2146.2697 1954.5996 125.6133 -206473.5717 17753.9813 0.0000 0.0000 34216.3209 -149537.6318 298.8196 -183753.9527 -149440.2595 298.5475 -128.3504 -95.0803 556542.4636 1.1472 1.1636 LDB: ============= START OF LOAD BALANCING ============== 8956.11 LDB: ============== END OF LOAD BALANCING =============== 8956.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8956.11 LDB: ============= START OF LOAD BALANCING ============== 8956.4 LDB: Largest compute 4848 load 0.030766 is 26.1% of average load 0.117824 LDB: Average compute 0.001709 is 1.5% of average load 0.117824 LDB: TIME 8956.41 LOAD: AVG 0.117824 MAX 0.178513 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.332 MB LDB: TIME 8956.41 LOAD: AVG 0.117824 MAX 0.178513 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.402 MB LDB: TIME 8956.41 LOAD: AVG 0.117824 MAX 0.178513 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.402 MB LDB: ============== END OF LOAD BALANCING =============== 8956.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8956.41 PRESSURE: 3084400 -170.638 -166.737 24.5674 -166.738 -120.608 -31.2004 24.5684 -31.1999 -337.912 GPRESSURE: 3084400 -178.396 -79.251 -2.54389 -220.951 -73.5277 9.71278 26.7897 -62.3575 -292.349 PRESSAVG: 3084400 -84.2668 -41.3522 61.6765 -41.3523 15.9638 16.4143 61.6765 16.4144 92.2269 GPRESSAVG: 3084400 -83.1173 -43.3046 64.4836 -41.7985 16.3814 13.3535 62.2468 18.6971 90.0486 TIMING: 3084400 CPU: 8953.24, 0.00296289/step Wall: 8953.24, 0.00296289/step, 1.57659 hours remaining, 207.875000 MB of memory in use. ENERGY: 3084400 759.5259 2100.5808 1945.3123 128.4513 -206092.5973 17592.9299 0.0000 0.0000 33985.3868 -149580.4103 296.8028 -183565.7970 -149489.9858 297.9548 -209.7192 -181.4243 557799.4727 7.9746 7.7709 PRESSURE: 3084600 -309.573 -29.7586 179.262 -29.7579 -144.575 -4.00137 179.263 -4.00232 -87.4917 GPRESSURE: 3084600 -316.62 -22.5029 127.977 -62.0985 -58.913 -45.227 198.253 27.5508 -68.9801 PRESSAVG: 3084600 -60.867 -4.12156 108.243 -4.12149 33.0602 5.23732 108.243 5.2373 45.9108 GPRESSAVG: 3084600 -62.1378 -5.4013 108.153 -1.27831 33.0102 7.11706 105.085 4.93212 47.1622 TIMING: 3084600 CPU: 8953.82, 0.00290324/step Wall: 8953.82, 0.00290324/step, 1.54468 hours remaining, 207.945312 MB of memory in use. ENERGY: 3084600 730.8408 2101.8239 1949.3922 111.8744 -206135.7682 17536.6847 0.0000 0.0000 34115.5571 -149589.5952 297.9396 -183705.1523 -149491.5914 297.4526 -180.5465 -148.1710 558184.7248 6.0347 6.0115 PRESSURE: 3084800 -65.9859 47.0535 -9.41937 47.0547 -94.9775 -134.288 -9.41823 -134.289 50.0021 GPRESSURE: 3084800 -67.1553 81.8548 -16.7618 101.97 -17.2019 -166.488 3.0033 -86.13 69.1704 PRESSAVG: 3084800 -48.1297 -7.01191 63.973 -7.01194 8.94577 -28.6687 63.9729 -28.6688 78.5143 GPRESSAVG: 3084800 -47.6849 -4.12816 63.8631 -8.37454 9.2466 -28.6883 63.1443 -29.4496 77.4098 TIMING: 3084800 CPU: 8954.4, 0.00290467/step Wall: 8954.4, 0.00290467/step, 1.54529 hours remaining, 207.945312 MB of memory in use. ENERGY: 3084800 767.5617 2095.3326 1956.6076 103.6778 -206374.1578 17759.9835 0.0000 0.0000 34072.7975 -149618.1972 297.5662 -183690.9947 -149524.9848 298.1028 -36.9871 -5.0623 556505.4071 13.1101 12.9905 PRESSURE: 3085000 121.583 210.769 -25.4359 210.768 21.1104 -68.4754 -25.4359 -68.4755 90.2793 GPRESSURE: 3085000 136.786 114.767 54.5154 199.123 45.0914 -141.807 -23.8297 -56.5465 158.943 PRESSAVG: 3085000 -0.688129 5.53695 47.0254 5.53705 79.8912 10.4159 47.0254 10.4159 -45.5147 GPRESSAVG: 3085000 -0.0770083 6.0419 46.655 3.7592 80.1487 8.84978 48.0869 12.2827 -46.552 TIMING: 3085000 CPU: 8954.98, 0.00292901/step Wall: 8954.98, 0.00292901/step, 1.55807 hours remaining, 207.945312 MB of memory in use. ENERGY: 3085000 775.7370 2073.8814 1971.8153 110.0715 -206660.4571 17936.3152 0.0000 0.0000 34147.8447 -149644.7920 298.2216 -183792.6367 -149552.1968 298.2377 77.6578 113.6070 556494.4528 11.2294 11.1732 PRESSURE: 3085200 105.191 -97.1266 -6.99402 -97.1254 239.693 59.7549 -6.99401 59.7565 231.959 GPRESSURE: 3085200 183.357 -166.377 -89.9592 -12.2444 263.941 7.45349 112.884 91.7776 227.743 PRESSAVG: 3085200 -36.7285 13.244 25.5876 13.2441 -0.870883 36.5601 25.5876 36.5602 60.0581 GPRESSAVG: 3085200 -38.0537 10.1714 25.0703 17.6153 -0.760423 37.6469 27.1722 37.2375 61.5807 TIMING: 3085200 CPU: 8955.57, 0.00292137/step Wall: 8955.57, 0.00292137/step, 1.55385 hours remaining, 207.945312 MB of memory in use. ENERGY: 3085200 744.9893 2085.6128 1933.2206 117.7653 -207180.3631 18208.4687 0.0000 0.0000 34501.5828 -149588.7235 301.3109 -184090.3063 -149497.0049 299.1839 192.2811 225.0139 554603.5222 7.4862 7.5889 PRESSURE: 3085400 -98.4634 -15.691 -81.3125 -15.6903 -221.606 88.0616 -81.3123 88.0619 90.9807 GPRESSURE: 3085400 -82.825 12.5288 -49.0425 -35.5047 -158.323 31.8195 -58.5999 64.2649 103.054 PRESSAVG: 3085400 11.0293 13.9819 -6.57912 13.9818 -51.9472 16.012 -6.57913 16.012 15.3301 GPRESSAVG: 3085400 12.7098 16.7919 -6.84864 10.0032 -53.0438 14.2582 -5.4244 14.0153 15.1876 TIMING: 3085400 CPU: 8956.15, 0.00290344/step Wall: 8956.15, 0.00290344/step, 1.54415 hours remaining, 207.945312 MB of memory in use. ENERGY: 3085400 763.5957 2045.5317 1984.5517 110.3450 -206432.8388 17707.2966 0.0000 0.0000 34108.1769 -149713.3412 297.8752 -183821.5182 -149611.1621 298.5489 -76.3629 -46.0315 556932.7131 -8.5293 -8.3821 PRESSURE: 3085600 75.0417 -126.173 -156.996 -126.173 -86.4281 -82.4051 -156.997 -82.4072 57.1082 GPRESSURE: 3085600 86.2959 -109.775 -166.123 -117.756 -72.8155 -172.044 -202.168 -101.217 145.349 PRESSAVG: 3085600 -6.77164 12.2578 5.53083 12.2578 -51.9211 -7.44875 5.53079 -7.44887 51.7306 GPRESSAVG: 3085600 -7.23862 11.5446 6.54171 14.7585 -50.7018 -6.69461 3.84101 -5.87677 50.8723 TIMING: 3085600 CPU: 8956.73, 0.00290707/step Wall: 8956.73, 0.00290707/step, 1.54591 hours remaining, 207.945312 MB of memory in use. ENERGY: 3085600 764.8542 2045.9256 1976.4588 118.5988 -206531.7377 17801.5812 0.0000 0.0000 34152.5899 -149671.7292 298.2631 -183824.3192 -149580.3981 297.6348 15.2406 52.9432 556596.7510 -2.3207 -2.3560 PRESSURE: 3085800 85.5649 59.4051 -69.7997 59.4046 233.807 -87.8404 -69.7997 -87.8395 -263.94 GPRESSURE: 3085800 117.632 -67.8705 -3.36215 147.326 255.362 -97.2285 -79.4265 -32.2792 -224.265 PRESSAVG: 3085800 -45.2183 -21.8488 -38.3178 -21.8487 -7.86285 10.0668 -38.3179 10.0666 53.4989 GPRESSAVG: 3085800 -45.2956 -22.0662 -38.4275 -23.4407 -7.5226 8.60392 -37.0407 9.70825 53.2935 TIMING: 3085800 CPU: 8957.31, 0.00291686/step Wall: 8957.31, 0.00291686/step, 1.55096 hours remaining, 207.945312 MB of memory in use. ENERGY: 3085800 764.0149 2115.7944 1944.3107 113.8418 -206464.6167 17862.2205 0.0000 0.0000 33964.3449 -149700.0897 296.6191 -183664.4346 -149601.1691 296.8683 18.4772 49.5760 555902.3604 0.1392 0.1584 PRESSURE: 3086000 40.1865 72.7993 -50.1083 72.7995 -127.236 -21.4232 -50.107 -21.4223 133.845 GPRESSURE: 3086000 118.003 106.105 31.6851 60.9874 -110.919 -122.285 -102.759 87.3668 132.769 PRESSAVG: 3086000 2.23922 9.01622 -22.0046 9.01621 14.1697 -15.2861 -22.0046 -15.2861 7.21025 GPRESSAVG: 3086000 2.53638 7.37922 -21 9.93243 13.8883 -14.6436 -22.4215 -13.0735 7.27502 TIMING: 3086000 CPU: 8957.9, 0.00294874/step Wall: 8957.9, 0.00294874/step, 1.56775 hours remaining, 207.945312 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: 3086000 745.8438 2045.6358 1936.0354 117.5864 -206795.8745 17998.4835 0.0000 0.0000 34135.4838 -149816.8057 298.1137 -183952.2894 -149720.0377 296.8417 15.5985 46.6175 556207.8769 7.8731 7.8999 PRESSURE: 3086200 -94.1669 -99.0402 -113.439 -99.0396 -330.865 -19.1951 -113.44 -19.1949 -274.592 GPRESSURE: 3086200 -56.4413 -117.321 -62.4446 -20.8882 -299.737 -28.4087 14.8443 -2.28728 -250.163 PRESSAVG: 3086200 13.5777 19.0673 -23.1031 19.0673 -20.5924 -20.8761 -23.1032 -20.8761 -4.18623 GPRESSAVG: 3086200 12.6826 20.3581 -22.7442 17.0987 -20.7462 -20.7079 -24.0832 -21.5883 -3.21914 TIMING: 3086200 CPU: 8958.48, 0.0028929/step Wall: 8958.48, 0.0028929/step, 1.5379 hours remaining, 207.945312 MB of memory in use. ENERGY: 3086200 763.3851 2109.4737 1989.6900 113.7628 -206254.8306 17504.5239 0.0000 0.0000 34174.2430 -149599.7521 298.4522 -183773.9951 -149500.3547 298.0697 -233.2081 -202.1136 557021.1752 -3.7336 -3.7609 PRESSURE: 3086400 139.596 -87.8808 44.9057 -87.8798 -148 -90.9682 44.9062 -90.9686 -137.934 GPRESSURE: 3086400 167.688 8.92282 35.1557 -143.945 -107.962 -115.05 90.3927 -102.001 -100.444 PRESSAVG: 3086400 -2.30371 -29.6361 2.62085 -29.636 -22.9824 -14.5904 2.621 -14.5904 63.9292 GPRESSAVG: 3086400 -2.59443 -27.9697 1.44152 -30.2849 -22.5214 -12.5355 2.47536 -17.2379 63.759 TIMING: 3086400 CPU: 8959.06, 0.00290727/step Wall: 8959.06, 0.00290727/step, 1.54537 hours remaining, 207.945312 MB of memory in use. ENERGY: 3086400 720.4448 2132.4298 1946.6168 117.0613 -206815.7685 17866.1324 0.0000 0.0000 34314.8579 -149718.2255 299.6802 -184033.0834 -149619.2428 297.6300 -48.7792 -13.5726 556614.8173 12.8810 12.8811 PRESSURE: 3086600 -341.209 50.0604 -56.6978 50.0612 -64.7969 16.2945 -56.6981 16.2931 -329.984 GPRESSURE: 3086600 -309.752 -36.8422 -121.924 112.589 -107.999 -38.2094 -92.7439 99.4738 -213.771 PRESSAVG: 3086600 -18.2053 1.13389 -13.6698 1.13395 3.29634 28.2801 -13.6698 28.28 6.17601 GPRESSAVG: 3086600 -18.4301 -0.207349 -15.1926 2.46259 4.4355 27.1017 -11.7803 28.5308 5.91586 TIMING: 3086600 CPU: 8959.65, 0.00294287/step Wall: 8959.65, 0.00294287/step, 1.56413 hours remaining, 207.945312 MB of memory in use. ENERGY: 3086600 723.3535 2040.4539 1981.3439 110.1192 -206286.4783 17547.8055 0.0000 0.0000 34210.9198 -149672.4825 298.7725 -183883.4023 -149573.1633 297.7909 -245.3300 -210.5075 558783.3661 -2.9110 -2.6929 PRESSURE: 3086800 338.157 -23.2977 10.1058 -23.298 70.2553 72.3666 10.1057 72.3665 129.714 GPRESSURE: 3086800 367.927 -17.0385 -33.1102 3.9658 53.6966 -32.685 -33.1833 125.831 199.784 PRESSAVG: 3086800 88.3961 -9.26558 -7.11509 -9.26557 -100.525 11.7875 -7.11498 11.7875 5.17607 GPRESSAVG: 3086800 89.0732 -10.3349 -5.2226 -8.54737 -100.956 11.1532 -9.78696 14.8107 5.07096 TIMING: 3086800 CPU: 8960.24, 0.00292636/step Wall: 8960.24, 0.00292636/step, 1.5552 hours remaining, 207.945312 MB of memory in use. ENERGY: 3086800 755.2057 2081.3142 1977.1181 111.5623 -207100.1273 18324.9493 0.0000 0.0000 34262.7455 -149587.2322 299.2251 -183849.9777 -149491.0295 299.1726 179.3752 207.1361 556006.8066 -2.3178 -2.2706 PRESSURE: 3087000 274.604 -132.156 -54.6693 -132.155 289.182 -24.0688 -54.6678 -24.0692 163.089 GPRESSURE: 3087000 343.22 -206.753 -14.3084 27.1997 293.461 -5.69876 -104.849 -43.9672 195.103 PRESSAVG: 3087000 33.5341 26.3392 -44.4512 26.339 -60.0317 65.5767 -44.4512 65.5766 -6.34372 GPRESSAVG: 3087000 33.247 27.6641 -43.013 24.8083 -60.7771 66.1301 -43.8951 62.989 -5.02253 TIMING: 3087000 CPU: 8960.82, 0.00291267/step Wall: 8960.82, 0.00291267/step, 1.54776 hours remaining, 207.945312 MB of memory in use. ENERGY: 3087000 704.1896 2134.5760 1991.4648 104.1863 -207214.0336 18444.5285 0.0000 0.0000 34187.2954 -149647.7930 298.5662 -183835.0884 -149552.2481 298.3744 242.2918 277.2613 555664.8835 -10.9471 -10.8509 PRESSURE: 3087200 69.1667 -140.86 8.86634 -140.86 -201.09 -61.4938 8.86625 -61.4937 96.7484 GPRESSURE: 3087200 101.4 -129.875 -104.998 -98.8689 -132.198 -35.7053 106.168 -96.261 102.627 PRESSAVG: 3087200 -23.2402 -60.3734 -49.9364 -60.3734 28.9637 -26.6811 -49.9363 -26.681 24.4741 GPRESSAVG: 3087200 -22.3125 -59.3339 -51.901 -61.2633 28.2033 -25.7175 -49.6859 -26.8582 24.1138 TIMING: 3087200 CPU: 8961.41, 0.00293146/step Wall: 8961.41, 0.00293146/step, 1.55758 hours remaining, 207.945312 MB of memory in use. ENERGY: 3087200 712.9165 2101.8447 1946.1592 114.4497 -206322.8929 17742.3884 0.0000 0.0000 34062.3688 -149642.7657 297.4751 -183705.1345 -149534.9518 298.0805 -11.7251 23.9429 557453.4480 10.0659 10.0015 PRESSURE: 3087400 -139.578 52.4879 29.4048 52.4882 -282.946 140.545 29.4052 140.545 -171.284 GPRESSURE: 3087400 -164.016 31.7976 74.249 124.154 -217.434 136.64 -12.2156 221.356 -112.261 PRESSAVG: 3087400 -50.5995 44.584 -33.0585 44.5841 69.9037 0.0122552 -33.0585 0.012288 -3.0753 GPRESSAVG: 3087400 -52.1326 43.3103 -32.2947 47.192 71.0212 -0.0221197 -32.0077 -0.438553 -3.09931 TIMING: 3087400 CPU: 8961.99, 0.0029153/step Wall: 8961.99, 0.0029153/step, 1.54884 hours remaining, 207.945312 MB of memory in use. ENERGY: 3087400 779.4706 2133.8509 1938.3925 97.5453 -206306.2283 17614.5822 0.0000 0.0000 34246.0409 -149496.3459 299.0792 -183742.3868 -149393.5767 298.3416 -197.9360 -164.5703 557874.4522 5.4096 5.2631 PRESSURE: 3087600 138.253 -107.331 163.191 -107.331 -135.979 -23.783 163.191 -23.7839 125.403 GPRESSURE: 3087600 172.578 -24.124 161.711 -154.151 -102.572 -22.9654 222.473 -35.4327 163.081 PRESSAVG: 3087600 -5.56219 1.24702 -14.9388 1.24697 2.46516 -0.281192 -14.9388 -0.281288 16.0498 GPRESSAVG: 3087600 -4.77303 -0.0300132 -13.2526 1.43629 2.42213 -0.291637 -17.114 -0.653671 15.4267 TIMING: 3087600 CPU: 8962.57, 0.00289672/step Wall: 8962.57, 0.00289672/step, 1.5388 hours remaining, 207.945312 MB of memory in use. ENERGY: 3087600 727.3284 2117.8531 1958.2378 111.5156 -206233.2841 17714.3538 0.0000 0.0000 34145.6974 -149458.2979 298.2029 -183603.9954 -149354.2003 298.7485 42.5592 77.6957 556668.9414 4.3176 4.3586 PRESSURE: 3087800 85.5657 104.168 -267.971 104.169 -89.2597 -119.009 -267.971 -119.01 -279.654 GPRESSURE: 3087800 104.936 38.4965 -203.28 104.969 -10.0944 -124.08 -338.661 -105.087 -273.597 PRESSAVG: 3087800 -13.8365 28.4144 -55.362 28.4144 -39.5951 -27.6931 -55.3619 -27.6932 80.7634 GPRESSAVG: 3087800 -12.994 29.0369 -56.478 27.2331 -39.8958 -29.2025 -55.3678 -25.3835 80.393 TIMING: 3087800 CPU: 8963.15, 0.00291141/step Wall: 8963.15, 0.00291141/step, 1.54644 hours remaining, 207.945312 MB of memory in use. ENERGY: 3087800 792.0296 2100.5512 1958.7974 117.4909 -206418.9023 17813.9270 0.0000 0.0000 34144.6462 -149491.4599 298.1937 -183636.1061 -149392.5545 297.7994 -94.4495 -59.5854 557430.6586 9.1106 9.1677 PRESSURE: 3088000 134.722 83.545 18.7582 83.5454 -107.815 -45.8483 18.7577 -45.85 -56.9886 GPRESSURE: 3088000 167.819 -5.82771 26.0251 110.267 -62.3748 -78.281 42.1854 -7.89923 -35.846 PRESSAVG: 3088000 -1.41924 60.6859 -21.5357 60.6859 -24.9484 -39.9261 -21.5358 -39.926 22.3951 GPRESSAVG: 3088000 -1.39143 61.8029 -21.5529 61.0158 -26.041 -40.0336 -22.6862 -40.9588 23.5739 TIMING: 3088000 CPU: 8963.74, 0.00293907/step Wall: 8963.74, 0.00293907/step, 1.56097 hours remaining, 207.945312 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: 3088000 769.6892 2115.6301 1973.9923 115.7524 -206544.2981 17830.2107 0.0000 0.0000 34182.3090 -149556.7144 298.5226 -183739.0234 -149458.3189 297.8710 -10.0271 23.1994 556727.6781 -1.3242 -1.2862 PRESSURE: 3088200 -243.743 -71.7949 -95.0485 -71.7955 -36.5098 -87.2825 -95.049 -87.2821 -126.553 GPRESSURE: 3088200 -222.124 -22.3222 -130.582 -31.4101 29.3274 -54.2216 -14.918 -142.18 -120.082 PRESSAVG: 3088200 -20.966 19.7935 -6.40062 19.7935 -48.8386 20.0798 -6.40055 20.0798 84.382 GPRESSAVG: 3088200 -22.3911 19.5866 -6.07045 19.996 -46.9491 20.7621 -4.55493 19.0563 83.9163 TIMING: 3088200 CPU: 8964.32, 0.00290579/step Wall: 8964.32, 0.00290579/step, 1.54313 hours remaining, 207.945312 MB of memory in use. ENERGY: 3088200 702.3912 2084.8609 1944.1659 109.7666 -206027.7857 17694.8733 0.0000 0.0000 34078.7101 -149413.0177 297.6179 -183491.7278 -149306.8240 297.8621 -135.6017 -104.2927 558931.6631 4.8591 4.8587 LDB: ============= START OF LOAD BALANCING ============== 8967.79 LDB: ============== END OF LOAD BALANCING =============== 8967.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8967.79 LDB: ============= START OF LOAD BALANCING ============== 8968.08 LDB: Largest compute 4821 load 0.031604 is 26.8% of average load 0.117739 LDB: Average compute 0.001705 is 1.4% of average load 0.117739 LDB: TIME 8968.08 LOAD: AVG 0.117739 MAX 0.179503 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.312 MB LDB: TIME 8968.08 LOAD: AVG 0.117739 MAX 0.179503 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.516 MB LDB: TIME 8968.08 LOAD: AVG 0.117739 MAX 0.179503 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8968.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8968.08 PRESSURE: 3088400 -131.791 -17.1028 29.7434 -17.1035 50.304 -117.297 29.7439 -117.297 -42.4426 GPRESSURE: 3088400 -177.434 -73.2313 -33.951 -49.0079 124.783 -177.663 80.5128 -91.4693 17.983 PRESSAVG: 3088400 -45.5812 10.0043 -43.0509 10.0043 36.1988 -4.49778 -43.0509 -4.49772 48.7374 GPRESSAVG: 3088400 -44.872 10.742 -44.4089 8.44651 34.7284 -3.08553 -42.3354 -5.32859 49.1316 TIMING: 3088400 CPU: 8964.91, 0.0029482/step Wall: 8964.91, 0.0029482/step, 1.56549 hours remaining, 207.417969 MB of memory in use. ENERGY: 3088400 718.5660 2095.6482 1950.0458 104.4412 -206493.2827 17943.7543 0.0000 0.0000 34254.2766 -149426.5506 299.1511 -183680.8272 -149335.2844 298.3793 -41.3100 -11.5560 558940.9531 13.1183 12.9960 PRESSURE: 3088600 -21.3084 44.0628 -51.9598 44.0635 -58.4104 0.465328 -51.9606 0.46616 -18.6292 GPRESSURE: 3088600 8.29505 -22.0735 -25.234 73.6528 -38.3058 36.1157 -16.1314 -60.4907 35.5782 PRESSAVG: 3088600 -0.546708 -16.0582 -57.0242 -16.0583 -49.9739 21.6948 -57.0241 21.6949 30.7748 GPRESSAVG: 3088600 -0.223883 -15.4211 -57.3102 -15.094 -49.3103 20.8168 -56.2046 21.9806 29.8988 TIMING: 3088600 CPU: 8965.49, 0.00288899/step Wall: 8965.49, 0.00288899/step, 1.5339 hours remaining, 207.488281 MB of memory in use. ENERGY: 3088600 729.6103 2054.4505 1959.3749 103.5184 -206524.5220 17926.9133 0.0000 0.0000 34309.4369 -149441.2178 299.6328 -183750.6547 -149344.1625 299.0423 -32.7827 1.8558 558455.5911 -6.5819 -6.5451 PRESSURE: 3088800 -60.4915 -148.779 -63.887 -148.779 -120.759 149.423 -63.886 149.423 -123.95 GPRESSURE: 3088800 -44.2513 -113.575 -100.916 -109.878 -64.4108 154.228 -25.6115 73.4692 -127.961 PRESSAVG: 3088800 4.16325 -14.9428 -45.7131 -14.9429 -2.70573 74.7997 -45.7131 74.7998 1.19988 GPRESSAVG: 3088800 3.8885 -16.5443 -44.4399 -14.7659 -3.37623 75.2169 -48.4151 76.0176 2.10313 TIMING: 3088800 CPU: 8966.07, 0.00290551/step Wall: 8966.07, 0.00290551/step, 1.5425 hours remaining, 207.488281 MB of memory in use. ENERGY: 3088800 692.2287 2084.9833 1973.2959 109.9594 -206378.5321 17725.2285 0.0000 0.0000 34311.4253 -149481.4109 299.6502 -183792.8363 -149386.4935 297.8649 -101.7336 -78.8745 558014.5193 0.8858 0.8718 PRESSURE: 3089000 -73.4943 9.46748 -43.6983 9.46813 -105.8 128.879 -43.6979 128.878 203.561 GPRESSURE: 3089000 -75.3886 6.84778 -30.5278 -25.6844 -59.7918 39.7404 -60.9359 156.918 256.78 PRESSAVG: 3089000 -19.239 -9.64077 27.362 -9.64085 -31.5547 69.2704 27.3619 69.2704 25.246 GPRESSAVG: 3089000 -20.3761 -9.82196 26.9058 -11.105 -30.532 68.1255 30.2478 69.4018 24.8399 TIMING: 3089000 CPU: 8966.65, 0.00290925/step Wall: 8966.65, 0.00290925/step, 1.54433 hours remaining, 207.488281 MB of memory in use. ENERGY: 3089000 706.1365 2114.4898 1967.0545 112.4890 -206528.8464 17929.0994 0.0000 0.0000 34165.7317 -149533.8454 298.3778 -183699.5772 -149436.6833 298.0075 8.0890 40.5333 557470.8841 -8.5159 -8.6894 PRESSURE: 3089200 -21.923 -62.9617 -249.989 -62.9624 -100.314 -16.0045 -249.99 -16.0024 106.545 GPRESSURE: 3089200 20.7784 -69.5143 -191.612 -56.9418 -91.0187 -63.6712 -193.485 -50.9875 146.747 PRESSAVG: 3089200 -33.3174 5.54805 -6.08099 5.5481 16.0577 8.02567 -6.08101 8.02578 16.0818 GPRESSAVG: 3089200 -32.833 6.81163 -6.3015 7.30536 16.1667 7.48396 -8.528 8.79751 15.5957 TIMING: 3089200 CPU: 8967.23, 0.00288371/step Wall: 8967.23, 0.00288371/step, 1.53061 hours remaining, 207.488281 MB of memory in use. ENERGY: 3089200 713.6578 2079.5681 1971.2459 102.9697 -206609.9184 17928.4156 0.0000 0.0000 34138.3370 -149675.7243 298.1386 -183814.0613 -149582.3400 297.6821 -5.2306 25.5023 556100.8062 -0.3926 -0.3569 PRESSURE: 3089400 -11.5325 -27.5465 174.378 -27.5466 -170.426 98.3125 174.378 98.3112 -232.955 GPRESSURE: 3089400 60.4539 14.278 187.318 -19.7283 -184.788 111.669 124.879 73.2464 -188.28 PRESSAVG: 3089400 -68.3659 -20.1889 -15.1398 -20.1888 28.7659 3.70154 -15.1398 3.70146 21.9074 GPRESSAVG: 3089400 -68.1081 -20.0901 -15.4455 -20.6987 27.4617 6.02104 -14.5722 2.19107 22.6689 TIMING: 3089400 CPU: 8967.81, 0.00289818/step Wall: 8967.81, 0.00289818/step, 1.53813 hours remaining, 207.488281 MB of memory in use. ENERGY: 3089400 712.8041 2095.8022 1959.6283 112.8988 -206181.7337 17545.3380 0.0000 0.0000 33921.4895 -149833.7728 296.2448 -183755.2622 -149737.6109 297.6874 -138.3046 -104.2050 556594.8681 -5.8975 -5.9925 PRESSURE: 3089600 -320.301 177.651 119.083 177.65 -89.0038 -59.6515 119.084 -59.6525 107.884 GPRESSURE: 3089600 -305.147 163.101 75.0158 226.199 -53.9209 -14.3005 151.512 -92.1618 161.994 PRESSAVG: 3089600 -1.98778 5.14479 43.5585 5.14481 -52.3729 -34.6769 43.5585 -34.6769 39.3661 GPRESSAVG: 3089600 -1.94192 4.41723 44.6306 4.81943 -52.1549 -35.9096 41.4457 -34.6848 39.1159 TIMING: 3089600 CPU: 8968.39, 0.00291454/step Wall: 8968.39, 0.00291454/step, 1.54665 hours remaining, 207.488281 MB of memory in use. ENERGY: 3089600 728.8329 2050.9713 1960.3567 87.5254 -206526.5502 17901.1437 0.0000 0.0000 34243.8661 -149553.8540 299.0602 -183797.7202 -149455.7371 298.0623 -100.4735 -65.6912 558020.8883 -4.9982 -4.9936 PRESSURE: 3089800 -103.031 -1.4606 124.288 -1.4597 -390.864 -184.42 124.287 -184.421 50.9355 GPRESSURE: 3089800 -51.868 -32.1277 72.4672 37.7238 -326.135 -125.362 125.688 -195.145 38.9872 PRESSAVG: 3089800 -69.8413 -24.8378 61.989 -24.8378 17.4561 6.1629 61.9891 6.16284 60.2501 GPRESSAVG: 3089800 -70.041 -24.6061 60.3601 -23.3026 18.7106 6.46411 64.9706 6.19886 59.6486 TIMING: 3089800 CPU: 8968.97, 0.0028972/step Wall: 8968.97, 0.0028972/step, 1.53728 hours remaining, 207.488281 MB of memory in use. ENERGY: 3089800 745.7781 2124.0602 1951.1054 110.4213 -206417.1257 17719.9415 0.0000 0.0000 34165.6477 -149600.1715 298.3771 -183765.8193 -149502.9939 298.2066 -147.6531 -113.0051 558697.7126 2.6216 2.7727 PRESSURE: 3090000 310.123 89.5957 102.372 89.5949 449.154 48.1563 102.373 48.1557 142.033 GPRESSURE: 3090000 328.861 134.397 151.394 -2.53184 495.731 -4.42063 126.19 21.8837 170.823 PRESSAVG: 3090000 55.5945 15.2163 82.0124 15.2163 7.29119 2.26213 82.0124 2.26214 -84.195 GPRESSAVG: 3090000 56.427 14.2767 82.5897 13.8593 5.55567 1.14352 79.5974 2.16255 -83.3079 TIMING: 3090000 CPU: 8969.55, 0.0028979/step Wall: 8969.55, 0.0028979/step, 1.5375 hours remaining, 207.488281 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: 3090000 741.3653 2139.8879 1957.1428 101.8985 -206999.2811 18242.4592 0.0000 0.0000 34216.8557 -149599.6717 298.8243 -183816.5274 -149508.5422 298.3468 300.4365 331.8049 555371.1767 -7.1031 -7.1084 PRESSURE: 3090200 91.7978 38.6112 -103.535 38.6108 69.5948 -78.1185 -103.535 -78.1192 157.823 GPRESSURE: 3090200 121.797 -38.0237 -136.597 51.4886 121.891 -112.695 -152.834 -56.873 168.913 PRESSAVG: 3090200 16.6058 37.0459 24.0566 37.046 17.6048 -40.3027 24.0566 -40.3028 -21.3426 GPRESSAVG: 3090200 14.7834 37.2259 26.2448 37.1998 19.3242 -37.2802 23.7561 -41.1036 -20.7656 TIMING: 3090200 CPU: 8970.13, 0.00291919/step Wall: 8970.13, 0.00291919/step, 1.54863 hours remaining, 207.488281 MB of memory in use. ENERGY: 3090200 722.7548 2106.2320 1962.9048 121.2665 -206969.1923 18088.9117 0.0000 0.0000 34230.3605 -149736.7620 298.9423 -183967.1225 -149644.4931 298.7313 106.4052 137.5338 556498.0521 4.2894 4.4473 PRESSURE: 3090400 -73.9108 -22.9814 49.8823 -22.9818 -32.2893 -106.859 49.8815 -106.859 -57.6686 GPRESSURE: 3090400 -41.3996 -10.7537 130.605 5.05965 -12.6424 -132.756 41.9218 -85.3566 -14.8632 PRESSAVG: 3090400 -11.6654 16.8168 41.6061 16.8168 41.0747 15.4289 41.6061 15.4289 -18.4253 GPRESSAVG: 3090400 -10.2743 17.2277 42.9076 17.747 40.0417 12.1629 44.9967 17.2354 -18.2917 TIMING: 3090400 CPU: 8970.71, 0.00290996/step Wall: 8970.71, 0.00290996/step, 1.54357 hours remaining, 207.488281 MB of memory in use. ENERGY: 3090400 719.4651 2118.1111 1942.9543 113.1131 -206236.1092 17609.9818 0.0000 0.0000 34117.4956 -149614.9882 297.9566 -183732.4838 -149521.2550 298.4304 -54.6229 -22.9684 556865.4189 3.6613 3.8252 PRESSURE: 3090600 -246.146 89.0978 96.7402 89.0987 -144.529 -199.793 96.7418 -199.793 -100.313 GPRESSURE: 3090600 -135.602 10.5284 60.363 110.925 -159.72 -212.438 115.847 -141 -91.9979 PRESSAVG: 3090600 22.5893 15.5215 9.68096 15.5214 -46.6938 -14.2875 9.68102 -14.2876 20.7792 GPRESSAVG: 3090600 21.8861 14.1302 4.92235 14.06 -45.1686 -11.9693 10.0032 -17.4285 20.1815 TIMING: 3090600 CPU: 8971.3, 0.00293542/step Wall: 8971.3, 0.00293542/step, 1.55691 hours remaining, 207.488281 MB of memory in use. ENERGY: 3090600 730.2947 2074.9176 1954.8759 114.8139 -206274.5536 17694.6934 0.0000 0.0000 34088.7299 -149616.2282 297.7054 -183704.9581 -149515.8717 297.8301 -163.6627 -129.1064 556828.2385 -1.1084 -1.0337 PRESSURE: 3090800 -154.704 187.192 58.4918 187.192 -200.356 -160.76 58.4906 -160.76 -108.889 GPRESSURE: 3090800 -111.215 151.286 9.03878 171.176 -177.943 -162.626 157.411 -43.1023 -74.4036 PRESSAVG: 3090800 42.9673 42.3322 25.4108 42.3323 -34.0815 -68.6803 25.4109 -68.6803 -28.7972 GPRESSAVG: 3090800 44.572 39.9681 26.7838 43.1665 -34.7792 -70.1509 22.929 -66.5781 -29.8329 TIMING: 3090800 CPU: 8971.89, 0.00292603/step Wall: 8971.89, 0.00292603/step, 1.55177 hours remaining, 207.488281 MB of memory in use. ENERGY: 3090800 742.0977 2105.9878 1935.5484 105.8770 -206678.6181 17715.3617 0.0000 0.0000 34469.6243 -149604.1211 301.0318 -184073.7454 -149514.3771 297.8966 -154.6498 -121.1873 556720.1749 -6.6371 -6.6800 PRESSURE: 3091000 -315.254 -120.256 4.39845 -120.255 -147.041 -37.2968 4.39846 -37.2998 -178.125 GPRESSURE: 3091000 -253.418 -102.576 -1.61909 -113.07 -145.368 -43.3249 9.40839 -14.6986 -150.658 PRESSAVG: 3091000 -29.2043 -5.15389 -12.6569 -5.15389 26.3589 30.299 -12.6569 30.299 14.0031 GPRESSAVG: 3091000 -30.129 -2.59634 -12.4638 -5.42031 24.8866 31.2935 -11.8496 30.8999 15.8977 TIMING: 3091000 CPU: 8972.47, 0.00290461/step Wall: 8972.47, 0.00290461/step, 1.54025 hours remaining, 207.488281 MB of memory in use. ENERGY: 3091000 794.3728 2126.0772 1969.6057 118.8735 -206459.7592 17759.2963 0.0000 0.0000 34037.1205 -149654.4133 297.2546 -183691.5337 -149551.2613 297.7164 -213.4736 -183.1478 558879.5763 3.7192 3.5518 PRESSURE: 3091200 -6.25838 84.105 -5.70354 84.1055 -252.645 -17.6992 -5.70213 -17.6985 42.3778 GPRESSURE: 3091200 -27.5059 156.841 -35.1985 115.86 -178.549 -104.209 44.2611 82.5692 101.673 PRESSAVG: 3091200 -28.1688 11.0117 -14.6819 11.0118 -36.6124 33.9001 -14.6819 33.9 20.0656 GPRESSAVG: 3091200 -28.0538 11.4567 -15.7674 11.5212 -35.8419 34.5411 -15.6493 33.3205 19.4212 TIMING: 3091200 CPU: 8973.05, 0.00292851/step Wall: 8973.05, 0.00292851/step, 1.55276 hours remaining, 207.488281 MB of memory in use. ENERGY: 3091200 757.8811 2092.3393 1966.9240 109.7968 -206750.2403 18005.8309 0.0000 0.0000 34126.4482 -149691.0201 298.0348 -183817.4683 -149595.3388 297.5081 -72.1753 -34.7937 558391.8532 -14.9052 -14.8248 PRESSURE: 3091400 -242.751 -30.653 101.904 -30.6533 96.9574 -38.0481 101.905 -38.0454 212.59 GPRESSURE: 3091400 -241.427 -86.8595 78.0112 -30.2786 164.187 -6.10124 142.784 -3.38575 237.755 PRESSAVG: 3091400 -10.8216 8.61611 -24.2671 8.61617 42.2467 16.2194 -24.2671 16.2193 -1.51806 GPRESSAVG: 3091400 -10.9916 8.73025 -24.4759 9.56448 42.2653 17.0006 -23.8348 14.8887 -1.42615 TIMING: 3091400 CPU: 8973.64, 0.00291432/step Wall: 8973.64, 0.00291432/step, 1.54508 hours remaining, 207.488281 MB of memory in use. ENERGY: 3091400 736.7478 2070.8578 1954.7582 114.4791 -206755.1687 17958.0925 0.0000 0.0000 34130.6787 -149789.5547 298.0717 -183920.2334 -149690.3944 297.6971 22.2654 53.5050 556056.0728 9.9690 9.9492 PRESSURE: 3091600 -198.691 54.818 -229.716 54.818 -111.789 -132.85 -229.716 -132.85 -155.036 GPRESSURE: 3091600 -193.406 122.177 -178.024 25.8273 -68.4174 -113.023 -243.005 -187.338 -98.5603 PRESSAVG: 3091600 -34.5066 30.6845 -6.09325 30.6844 24.8706 2.95235 -6.09326 2.9525 37.1783 GPRESSAVG: 3091600 -34.9532 30.3356 -4.53862 27.6742 25.7697 1.7844 -6.15488 3.42012 36.2386 TIMING: 3091600 CPU: 8974.22, 0.00290318/step Wall: 8974.22, 0.00290318/step, 1.53901 hours remaining, 207.488281 MB of memory in use. ENERGY: 3091600 696.2101 2125.3216 1966.7288 102.5800 -206632.3565 17644.1814 0.0000 0.0000 34338.6952 -149758.6392 299.8884 -184097.3344 -149666.8291 297.4710 -155.1721 -120.1279 556021.4155 9.1808 9.0184 PRESSURE: 3091800 -210.325 -38.126 49.6044 -38.126 31.709 5.43423 49.6041 5.43638 126.488 GPRESSURE: 3091800 -163.3 -13.4425 87.1681 -52.6915 103.105 -11.6929 16.916 21.498 114.454 PRESSAVG: 3091800 34.1814 3.01725 -10.7953 3.01717 29.6618 -29.7633 -10.7954 -29.7634 -35.3148 GPRESSAVG: 3091800 34.4652 3.30382 -10.7084 4.10962 29.9238 -29.3587 -12.5584 -29.0359 -35.3957 TIMING: 3091800 CPU: 8974.8, 0.00289846/step Wall: 8974.8, 0.00289846/step, 1.53635 hours remaining, 207.488281 MB of memory in use. ENERGY: 3091800 735.6432 2104.9188 1955.1676 124.6124 -206541.3157 17744.1290 0.0000 0.0000 34193.9446 -149682.9000 298.6242 -183876.8446 -149590.4904 298.1996 -17.3762 18.0863 555082.3539 9.5095 9.6644 PRESSURE: 3092000 73.2675 -152.21 17.5482 -152.21 32.6641 -142.013 17.5479 -142.01 -42.901 GPRESSURE: 3092000 104.51 -158.155 -75.6637 -193.84 67.7315 -190.655 70.2076 -174.688 -12.2511 PRESSAVG: 3092000 -1.44077 -11.4923 13.5006 -11.4924 18.6546 -20.1008 13.5006 -20.1008 -9.84972 GPRESSAVG: 3092000 -0.50843 -12.6379 11.8213 -10.0336 18.2973 -19.3059 15.0036 -21.129 -10.3347 TIMING: 3092000 CPU: 8975.38, 0.00291195/step Wall: 8975.38, 0.00291195/step, 1.54334 hours remaining, 207.488281 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: 3092000 753.0386 2070.7030 1996.6143 125.1505 -206472.9501 17873.3137 0.0000 0.0000 34120.0448 -149534.0853 297.9788 -183654.1301 -149440.2055 298.7396 21.0102 53.3301 556151.3995 2.4547 2.4847 PRESSURE: 3092200 -388.634 -9.79849 -87.1131 -9.7993 -244.895 9.62557 -87.1128 9.62683 -185.543 GPRESSURE: 3092200 -345.193 45.3462 -106.043 -10.7654 -169.042 82.747 -111.856 -45.2893 -196.006 PRESSAVG: 3092200 -0.19238 -27.7803 54.0888 -27.7803 10.8762 -1.13235 54.0888 -1.13224 23.2937 GPRESSAVG: 3092200 0.24187 -25.5303 55.2391 -27.9889 10.4722 -2.22537 53.8521 0.433363 23.0473 TIMING: 3092200 CPU: 8975.96, 0.00290525/step Wall: 8975.96, 0.00290526/step, 1.53962 hours remaining, 207.488281 MB of memory in use. ENERGY: 3092200 761.2529 2039.6244 1975.1038 106.2622 -206097.1976 17532.6930 0.0000 0.0000 34266.5137 -149415.7476 299.2580 -183682.2613 -149320.4857 298.5415 -273.0240 -236.7468 557586.4631 11.3258 11.2538 LDB: ============= START OF LOAD BALANCING ============== 8979.43 LDB: ============== END OF LOAD BALANCING =============== 8979.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8979.43 LDB: ============= START OF LOAD BALANCING ============== 8979.72 LDB: Largest compute 4821 load 0.029944 is 25.4% of average load 0.117776 LDB: Average compute 0.001709 is 1.5% of average load 0.117776 LDB: TIME 8979.72 LOAD: AVG 0.117776 MAX 0.177985 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 8979.72 LOAD: AVG 0.117776 MAX 0.177985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: TIME 8979.72 LOAD: AVG 0.117776 MAX 0.177985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8979.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8979.73 PRESSURE: 3092400 -296.183 -46.3504 120.842 -46.3494 -90.2781 -15.6643 120.843 -15.6649 28.0427 GPRESSURE: 3092400 -299.876 -26.0381 60.5703 -100.249 -48.7162 -21.9533 100.06 51.4813 75.1492 PRESSAVG: 3092400 -43.7423 -36.3209 52.3912 -36.321 -19.976 -64.9549 52.3913 -64.9549 44.1936 GPRESSAVG: 3092400 -44.5604 -38.0211 52.4626 -35.3769 -20.3154 -67.1703 52.9191 -65.4279 45.1843 TIMING: 3092400 CPU: 8976.55, 0.00296047/step Wall: 8976.55, 0.00296047/step, 1.56872 hours remaining, 205.363281 MB of memory in use. ENERGY: 3092400 781.6144 2121.9102 1962.2496 111.9432 -206265.7469 17761.7225 0.0000 0.0000 34318.8001 -149207.5068 299.7146 -183526.3069 -149113.4396 299.4771 -119.4728 -91.1477 555204.6974 -6.5082 -6.5639 PRESSURE: 3092600 -101.688 119.614 89.1194 119.615 165.172 88.0545 89.1195 88.0554 17.7669 GPRESSURE: 3092600 -27.8642 134.516 53.6401 40.1841 146.702 3.95213 70.8286 106.875 57.7188 PRESSAVG: 3092600 -4.75414 -0.22836 -14.061 -0.228358 61.6325 40.3047 -14.0612 40.3047 11.6331 GPRESSAVG: 3092600 -2.94284 0.409405 -13.9719 -1.45226 61.5403 42.7989 -14.5814 39.7716 10.0292 TIMING: 3092600 CPU: 8977.13, 0.00290907/step Wall: 8977.13, 0.00290907/step, 1.54132 hours remaining, 205.363281 MB of memory in use. ENERGY: 3092600 788.7085 2090.5385 1977.4039 115.0642 -206589.1539 18084.7585 0.0000 0.0000 34467.2776 -149065.4027 301.0113 -183532.6803 -148962.3083 300.0788 27.0837 58.8522 557162.3794 22.8371 22.8755 PRESSURE: 3092800 -381.573 97.4229 -295.447 97.4223 -265.795 -31.0574 -295.448 -31.0575 101.012 GPRESSURE: 3092800 -294.054 190.055 -242.496 41.3146 -260.366 -44.9846 -354.949 -90.5671 87.9659 PRESSAVG: 3092800 -68.8993 -2.98152 16.0877 -2.98158 40.6937 10.549 16.0876 10.549 -12.083 GPRESSAVG: 3092800 -68.3622 -2.92395 16.0727 -2.73161 38.6249 10.9813 15.6194 10.2008 -11.0534 TIMING: 3092800 CPU: 8977.72, 0.00290807/step Wall: 8977.72, 0.00290807/step, 1.54063 hours remaining, 205.363281 MB of memory in use. ENERGY: 3092800 720.8985 2137.0159 1982.9334 109.0990 -205849.7255 17610.3524 0.0000 0.0000 34370.7146 -148918.7116 300.1680 -183289.4262 -148819.7372 299.5251 -182.1185 -155.4847 559599.4611 -13.4295 -13.5969 PRESSURE: 3093000 78.4576 74.1657 -12.1933 74.1652 -138.011 132.83 -12.1925 132.831 -3.19407 GPRESSURE: 3093000 105.26 128.498 -27.0112 83.9048 -67.4759 151.669 59.2583 184.853 -20.4111 PRESSAVG: 3093000 -32.7927 -11.149 19.2459 -11.149 53.1484 7.59418 19.246 7.5942 -5.05094 GPRESSAVG: 3093000 -34.8802 -11.9962 18.5677 -9.54863 55.7705 7.37071 19.2713 10.3718 -5.35371 TIMING: 3093000 CPU: 8978.29, 0.00288779/step Wall: 8978.29, 0.00288779/step, 1.52972 hours remaining, 205.363281 MB of memory in use. ENERGY: 3093000 788.0885 2109.4321 1992.9488 120.3504 -206088.4517 17808.8237 0.0000 0.0000 34249.0476 -149019.7606 299.1055 -183268.8082 -148924.3751 300.2273 -20.9157 5.7909 558138.2593 5.1016 5.1789 PRESSURE: 3093200 -117.151 -16.344 -44.373 -16.3445 -70.0167 -75.3616 -44.3734 -75.3622 32.4437 GPRESSURE: 3093200 -72.422 54.99 -101.153 2.7995 -66.0648 -84.0925 0.424744 -138.97 83.6812 PRESSAVG: 3093200 1.73199 11.2239 68.2306 11.2239 45.0419 -15.4947 68.2307 -15.4947 -38.4761 GPRESSAVG: 3093200 1.57253 11.5597 69.7469 8.58367 44.8867 -14.0961 68.3517 -18.7313 -38.4713 TIMING: 3093200 CPU: 8978.87, 0.00290939/step Wall: 8978.87, 0.00290939/step, 1.54101 hours remaining, 205.363281 MB of memory in use. ENERGY: 3093200 766.3908 2125.5340 1976.3599 112.2098 -206270.8906 17832.2581 0.0000 0.0000 34489.5735 -148968.5646 301.2060 -183458.1381 -148874.2651 300.7173 -51.5748 -18.2685 556706.8690 2.7659 2.6626 PRESSURE: 3093400 249.268 -192.176 -28.4452 -192.176 -75.6598 30.9635 -28.4446 30.9647 25.8537 GPRESSURE: 3093400 244.582 -250.299 -37.2888 -141.036 -43.0462 26.7823 -18.6582 82.07 113.173 PRESSAVG: 3093400 19.5452 -43.0445 -21.5168 -43.0445 -27.9262 -45.0874 -21.5168 -45.0876 22.7734 GPRESSAVG: 3093400 19.4987 -41.2873 -23.1546 -42.1151 -29.2202 -47.7539 -20.0152 -43.9471 23.9986 TIMING: 3093400 CPU: 8979.46, 0.00291871/step Wall: 8979.46, 0.00291871/step, 1.54578 hours remaining, 205.363281 MB of memory in use. ENERGY: 3093400 767.6555 2057.2685 1988.6559 122.8997 -206229.5435 17987.0707 0.0000 0.0000 34377.9221 -148928.0711 300.2309 -183305.9932 -148828.1621 299.9752 66.4873 104.9029 557865.7333 4.7975 4.7590 PRESSURE: 3093600 -148.453 48.1704 80.0844 48.1696 30.8216 -87.0977 80.0843 -87.0987 89.2574 GPRESSURE: 3093600 -96.3009 22.0931 112.791 187.061 82.3752 -69.6999 91.6667 -92.3915 84.4683 PRESSAVG: 3093600 1.94265 18.5355 46.8094 18.5355 -11.1781 12.8441 46.8093 12.8441 10.535 GPRESSAVG: 3093600 2.87866 16.9536 47.7343 18.6128 -10.578 14.8003 46.669 12.396 8.27335 TIMING: 3093600 CPU: 8980.05, 0.00293923/step Wall: 8980.05, 0.00293923/step, 1.55648 hours remaining, 205.363281 MB of memory in use. ENERGY: 3093600 772.8437 2127.3504 1964.6412 116.9634 -206234.7207 17915.5532 0.0000 0.0000 34370.5325 -148966.8365 300.1664 -183337.3689 -148871.0157 299.6511 -9.4581 23.5142 558552.3684 0.4332 0.1913 PRESSURE: 3093800 70.7877 4.92895 -203.996 4.92865 -195.444 -9.57583 -203.996 -9.57595 -24.5237 GPRESSURE: 3093800 112.548 -42.7782 -171.463 26.5139 -95.5046 -40.4279 -165.86 37.5495 -57.8846 PRESSAVG: 3093800 74.1854 15.5118 -18.342 15.5118 -5.5338 3.37347 -18.3419 3.37343 -96.7443 GPRESSAVG: 3093800 73.8562 17.0369 -17.2478 14.0038 -5.60145 3.9884 -19.43 4.30012 -96.0972 TIMING: 3093800 CPU: 8980.63, 0.00290776/step Wall: 8980.63, 0.00290776/step, 1.53966 hours remaining, 205.363281 MB of memory in use. ENERGY: 3093800 747.3943 2180.5860 1978.0651 118.6148 -206044.7866 17774.3667 0.0000 0.0000 34316.5474 -148929.2124 299.6949 -183245.7597 -148840.5969 299.7085 -49.7265 -13.6136 558728.4665 -9.3642 -9.2808 PRESSURE: 3094000 42.5684 -9.10259 -22.3819 -9.1018 220.936 51.2699 -22.3832 51.2694 38.6248 GPRESSURE: 3094000 106.852 -48.5958 -54.2967 34.7878 201.171 136.718 -64.9259 4.0026 86.5746 PRESSAVG: 3094000 71.3403 18.7069 -77.6862 18.7068 -29.032 29.4731 -77.6862 29.4731 -43.2339 GPRESSAVG: 3094000 70.9233 16.2963 -78.7719 20.538 -29.4485 29.092 -77.4899 27.137 -42.1896 TIMING: 3094000 CPU: 8981.21, 0.00291035/step Wall: 8981.21, 0.00291035/step, 1.54087 hours remaining, 205.363281 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: 3094000 748.2650 2075.6753 1953.0037 108.7063 -205988.7029 17994.2002 0.0000 0.0000 34204.9705 -148903.8818 298.7205 -183108.8524 -148795.4873 299.7832 100.7097 131.5325 557561.1867 -0.3085 -0.2382 PRESSURE: 3094200 -11.6599 -30.7961 -199.198 -30.7966 57.1715 155.722 -199.196 155.719 -124.199 GPRESSURE: 3094200 6.39577 -62.716 -177.222 -91.096 139.234 93.1167 -192.184 119.029 -113.767 PRESSAVG: 3094200 -9.91323 33.6974 -69.9183 33.6974 26.3457 18.9982 -69.9183 18.9982 -20.1075 GPRESSAVG: 3094200 -9.51846 35.0178 -69.1489 33.3332 26.8358 17.7258 -70.6196 22.1642 -20.4792 TIMING: 3094200 CPU: 8981.79, 0.00290259/step Wall: 8981.79, 0.00290259/step, 1.5366 hours remaining, 205.363281 MB of memory in use. ENERGY: 3094200 747.3981 2089.0929 1974.9780 107.0314 -205898.1658 17691.5134 0.0000 0.0000 34386.9218 -148901.2302 300.3095 -183288.1519 -148814.3947 300.4353 -26.2291 10.6208 556898.7527 -1.2250 -1.0540 PRESSURE: 3094400 86.1218 -191.794 -23.4715 -191.794 69.8971 -14.5643 -23.4704 -14.5624 113.173 GPRESSURE: 3094400 176.718 -146.267 9.57364 -159.146 81.9043 -134.81 1.00342 47.7057 114.4 PRESSAVG: 3094400 31.8776 13.73 -2.40954 13.73 -25.2097 -4.45371 -2.40957 -4.45374 30.0829 GPRESSAVG: 3094400 31.7487 12.8077 -5.27429 13.4092 -24.4367 -4.75605 -0.302401 -6.03453 29.7455 TIMING: 3094400 CPU: 8982.37, 0.00289239/step Wall: 8982.37, 0.00289239/step, 1.53104 hours remaining, 205.546875 MB of memory in use. ENERGY: 3094400 729.0288 2114.6935 1995.8453 117.5675 -206316.9662 18058.7447 0.0000 0.0000 34446.6554 -148854.4310 300.8312 -183301.0863 -148759.5097 300.5168 89.7308 124.3408 557781.4198 12.2502 12.3525 PRESSURE: 3094600 62.585 -146.368 -105.54 -146.368 229.256 137.094 -105.539 137.093 108.026 GPRESSURE: 3094600 82.612 -88.6706 -122.288 -146.945 218.938 147.194 -88.9891 71.2373 205.772 PRESSAVG: 3094600 -13.9318 -6.77657 -57.8936 -6.77653 25.091 0.567723 -57.8936 0.567766 0.871491 GPRESSAVG: 3094600 -14.2984 -4.21087 -56.4877 -8.88338 23.5785 1.29739 -59.2766 2.10483 2.86694 TIMING: 3094600 CPU: 8982.95, 0.00292257/step Wall: 8982.95, 0.00292257/step, 1.54685 hours remaining, 205.546875 MB of memory in use. ENERGY: 3094600 696.6216 2058.6951 1976.1864 120.1116 -205856.0742 17910.1201 0.0000 0.0000 34272.0601 -148822.2791 299.3064 -183094.3392 -148731.7132 299.7330 133.2891 169.1075 556518.3245 4.0102 4.0490 PRESSURE: 3094800 -89.9418 94.045 84.9147 94.0445 -162.956 37.8844 84.9144 37.8861 -288.925 GPRESSURE: 3094800 -73.2425 24.6965 -1.03384 122.244 -120.791 97.6796 136.777 -27.0918 -258.61 PRESSAVG: 3094800 13.8723 21.8959 6.20154 21.8959 34.3229 -38.7482 6.2016 -38.7481 -46.5796 GPRESSAVG: 3094800 14.7432 21.7482 6.72579 22.4524 35.5951 -36.903 5.99841 -38.5909 -48.4209 TIMING: 3094800 CPU: 8983.53, 0.00290489/step Wall: 8983.53, 0.00290489/step, 1.53733 hours remaining, 205.546875 MB of memory in use. ENERGY: 3094800 762.4475 2138.0862 1963.9626 107.6677 -205776.4260 17622.1248 0.0000 0.0000 34417.0664 -148765.0707 300.5728 -183182.1372 -148664.3860 300.6361 -180.6077 -150.8811 559260.2556 0.5385 0.6391 PRESSURE: 3095000 84.8499 -101.958 113.256 -101.958 -4.64821 82.7568 113.256 82.7565 284.808 GPRESSURE: 3095000 81.2283 -79.7077 126.874 -114.394 67.81 37.5947 162.958 149.043 307.384 PRESSAVG: 3095000 -31.8695 47.9888 29.1632 47.9887 3.56192 23.2154 29.1633 23.2154 -0.449316 GPRESSAVG: 3095000 -30.4124 46.3157 28.8616 49.893 2.33219 21.1089 30.8319 22.564 -0.683271 TIMING: 3095000 CPU: 8984.12, 0.00292448/step Wall: 8984.12, 0.00292448/step, 1.54754 hours remaining, 205.546875 MB of memory in use. ENERGY: 3095000 726.1436 2119.0564 1982.1133 104.7875 -206064.9787 17939.8834 0.0000 0.0000 34167.6691 -149025.3254 298.3948 -183192.9945 -148932.7682 299.8548 121.6700 152.1409 558080.9270 -9.5856 -9.5878 PRESSURE: 3095200 -141.026 258.366 77.9695 258.366 -115.857 -41.1269 77.9701 -41.1258 -122.316 GPRESSURE: 3095200 -162.088 266.484 84.4041 242.338 -96.2549 -14.478 72.3343 -81.2838 -27.4161 PRESSAVG: 3095200 -54.2952 23.9713 36.9429 23.9714 -38.3514 20.0451 36.9429 20.0451 64.2507 GPRESSAVG: 3095200 -55.9103 24.3001 37.2111 24.0375 -37.5996 20.3047 35.0795 19.9244 64.9554 TIMING: 3095200 CPU: 8984.7, 0.00291989/step Wall: 8984.7, 0.00291989/step, 1.54495 hours remaining, 205.546875 MB of memory in use. ENERGY: 3095200 767.4619 2138.0255 1969.9713 118.6793 -206090.3193 17790.4192 0.0000 0.0000 34232.9375 -149072.8244 298.9648 -183305.7620 -148975.6215 299.4294 -126.3997 -95.2531 557219.3302 -9.4653 -9.5182 PRESSURE: 3095400 -60.6094 -99.6029 -103.511 -99.6028 207.082 54.6139 -103.51 54.616 39.6233 GPRESSURE: 3095400 16.2843 -88.9738 -121.925 -133.248 247.383 3.81727 -69.328 95.0254 10.9682 PRESSAVG: 3095400 58.037 98.048 45.0692 98.0481 -57.2564 66.4223 45.0692 66.4223 12.7688 GPRESSAVG: 3095400 58.7641 98.5341 45.0185 97.7712 -57.9386 67.4002 44.0642 67.1271 12.6296 TIMING: 3095400 CPU: 8985.29, 0.00292528/step Wall: 8985.29, 0.00292528/step, 1.54764 hours remaining, 205.546875 MB of memory in use. ENERGY: 3095400 722.2860 2156.1426 1976.2901 117.1230 -206199.1397 17902.8397 0.0000 0.0000 34348.0046 -148976.4538 299.9697 -183324.4583 -148887.1584 300.2299 62.0321 91.5450 557598.4580 4.5165 4.4850 PRESSURE: 3095600 -240.015 -259.672 -79.7695 -259.672 2.17345 79.7324 -79.7685 79.7321 -153.972 GPRESSURE: 3095600 -230.941 -188.481 -212.846 -238.357 65.2214 83.272 -50.1401 156.881 -131.842 PRESSAVG: 3095600 -31.7087 -9.96977 -40.1154 -9.96972 47.0272 -7.34215 -40.1154 -7.34205 -2.9908 GPRESSAVG: 3095600 -31.2125 -8.27955 -39.5311 -10.7672 47.7469 -8.27547 -38.269 -7.44671 -3.94902 TIMING: 3095600 CPU: 8985.88, 0.00294447/step Wall: 8985.88, 0.00294447/step, 1.55762 hours remaining, 205.546875 MB of memory in use. ENERGY: 3095600 722.0884 2099.7348 1959.5808 114.5846 -205765.7426 17572.0237 0.0000 0.0000 34411.9372 -148885.7932 300.5280 -183297.7304 -148789.1366 300.4255 -130.6046 -99.1872 558230.9039 4.1092 4.1951 PRESSURE: 3095800 137.977 194.284 127.349 194.285 96.0227 175.561 127.35 175.561 474.622 GPRESSURE: 3095800 131.503 189.029 104.789 165.554 163.803 156.639 89.1322 203.154 513.848 PRESSAVG: 3095800 -75.2309 1.33378 -49.6733 1.33379 -26.3123 -2.62479 -49.6732 -2.62475 76.5308 GPRESSAVG: 3095800 -76.4077 -0.859261 -50.4218 1.10025 -26.1326 -1.30504 -50.0858 -3.82711 77.1033 TIMING: 3095800 CPU: 8986.46, 0.00291975/step Wall: 8986.46, 0.00291975/step, 1.54439 hours remaining, 205.546875 MB of memory in use. ENERGY: 3095800 730.2080 2086.4295 1950.7444 119.7525 -206277.8586 18064.2660 0.0000 0.0000 34332.6979 -148993.7604 299.8360 -183326.4583 -148901.0421 300.4368 236.2073 269.7181 556671.7270 -8.3375 -8.4790 PRESSURE: 3096000 -221.353 246.406 130.593 246.405 -105.072 -87.362 130.593 -87.3626 204.989 GPRESSURE: 3096000 -144.051 180.14 141.669 289.069 -88.1661 -58.2883 81.2243 -138.841 209.936 PRESSAVG: 3096000 -52.3132 -5.36134 -0.485248 -5.36137 13.8509 -0.165198 -0.485213 -0.165204 33.1653 GPRESSAVG: 3096000 -51.7876 -5.85358 1.78611 -3.85774 13.6195 -0.432504 -1.14865 0.106476 32.9916 TIMING: 3096000 CPU: 8987.05, 0.0029272/step Wall: 8987.05, 0.0029272/step, 1.54816 hours remaining, 205.546875 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: 3096000 728.7533 2127.4640 1962.0711 117.4643 -205964.2259 17574.2165 0.0000 0.0000 34442.6880 -149011.5688 300.7966 -183454.2568 -148911.2747 299.6550 -40.4788 -7.4268 557389.3203 -1.7657 -1.7255 PRESSURE: 3096200 -234.575 67.2174 -27.3792 67.2167 -51.7424 -48.2698 -27.3775 -48.269 -93.391 GPRESSURE: 3096200 -205.536 61.8141 29.3767 111.998 -45.01 -26.4281 -90.9098 -65.6508 -25.6264 PRESSAVG: 3096200 -15.836 -37.7987 -34.6313 -37.7987 39.1223 -36.9741 -34.6314 -36.9741 -3.60873 GPRESSAVG: 3096200 -16.8244 -35.1941 -34.2772 -39.6278 39.0289 -38.1396 -36.0316 -36.8891 -3.13095 TIMING: 3096200 CPU: 8987.63, 0.00292405/step Wall: 8987.63, 0.00292405/step, 1.54633 hours remaining, 205.546875 MB of memory in use. ENERGY: 3096200 744.1393 2080.7301 1965.7755 100.2809 -206183.3459 17750.5866 0.0000 0.0000 34336.1150 -149205.7186 299.8658 -183541.8336 -149103.1408 299.8292 -126.5695 -92.0576 558404.6142 6.5592 6.3578 LDB: ============= START OF LOAD BALANCING ============== 8991.1 LDB: ============== END OF LOAD BALANCING =============== 8991.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8991.1 LDB: ============= START OF LOAD BALANCING ============== 8991.39 LDB: Largest compute 4848 load 0.030056 is 25.5% of average load 0.117805 LDB: Average compute 0.001709 is 1.5% of average load 0.117805 LDB: TIME 8991.39 LOAD: AVG 0.117805 MAX 0.176892 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.914 MB LDB: TIME 8991.39 LOAD: AVG 0.117805 MAX 0.176892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: TIME 8991.39 LOAD: AVG 0.117805 MAX 0.176892 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8991.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8991.4 PRESSURE: 3096400 38.6082 29.5448 107.711 29.5455 -40.0274 -85.5968 107.713 -85.5968 -89.6382 GPRESSURE: 3096400 8.21122 153.637 106.208 3.7263 57.0605 -165.101 70.2047 -39.4572 -51.2396 PRESSAVG: 3096400 -19.909 -41.0274 27.229 -41.0274 -21.7479 -6.22568 27.2291 -6.22567 44.2117 GPRESSAVG: 3096400 -18.0879 -40.9102 26.2875 -39.1773 -22.5987 -5.29373 28.7649 -5.70042 43.9293 TIMING: 3096400 CPU: 8988.23, 0.00296928/step Wall: 8988.23, 0.00296928/step, 1.57009 hours remaining, 207.230469 MB of memory in use. ENERGY: 3096400 752.0512 2079.9518 1971.9853 125.2354 -205844.0563 17690.3385 0.0000 0.0000 34185.8496 -149038.6444 298.5535 -183224.4940 -148939.9649 299.1342 -30.3525 4.6773 556556.7848 0.8516 1.0809 PRESSURE: 3096600 -64.8075 159.391 -74.1468 159.392 17.8536 -175.613 -74.1457 -175.614 -100.123 GPRESSURE: 3096600 -34.9671 114.098 -43.94 110.901 72.6861 -182.541 -130.337 -170.633 -80.8908 PRESSAVG: 3096600 -7.16527 -11.3045 8.81711 -11.3046 -32.7298 -50.8477 8.81704 -50.8478 36.9745 GPRESSAVG: 3096600 -8.3182 -11.9595 8.35446 -12.7593 -32.3617 -50.9506 9.28663 -51.1466 38.0358 TIMING: 3096600 CPU: 8988.81, 0.0029329/step Wall: 8988.81, 0.0029329/step, 1.55069 hours remaining, 207.496094 MB of memory in use. ENERGY: 3096600 773.8127 2109.0971 1963.2400 106.8821 -206293.1636 17862.3648 0.0000 0.0000 34599.9549 -148877.8121 302.1700 -183477.7670 -148777.7823 299.6683 -49.0255 -14.3906 556365.5593 -0.9735 -0.8814 PRESSURE: 3096800 -5.26078 8.81702 -138.078 8.81733 -267.245 -176.541 -138.078 -176.542 -413.53 GPRESSURE: 3096800 1.9528 57.4249 -106.55 -82.478 -234.652 -202.392 -189.623 -182.483 -345.688 PRESSAVG: 3096800 -44.113 42.9482 23.5444 42.9482 -17.984 -57.0672 23.5444 -57.0672 74.9262 GPRESSAVG: 3096800 -44.9914 43.0803 24.0457 44.6991 -17.2613 -56.1324 23.8469 -57.5596 74.8676 TIMING: 3096800 CPU: 8989.4, 0.00294986/step Wall: 8989.4, 0.00294986/step, 1.55949 hours remaining, 207.496094 MB of memory in use. ENERGY: 3096800 756.0140 2111.6318 1993.9555 129.9246 -205554.4073 17456.4373 0.0000 0.0000 34261.1824 -148845.2617 299.2114 -183106.4441 -148753.4382 300.7955 -228.6784 -192.7956 558932.7392 4.2764 4.2050 PRESSURE: 3097000 -229.885 200.608 110.859 200.609 149.135 91.2423 110.86 91.2415 16.5527 GPRESSURE: 3097000 -230.744 242.042 98.9072 163.87 194.078 82.2632 92.2008 100.722 68.3354 PRESSAVG: 3097000 -24.8275 34.2391 44.6249 34.2391 -55.078 -30.7373 44.6248 -30.7373 37.4236 GPRESSAVG: 3097000 -24.4243 35.2633 44.9205 33.0697 -55.2297 -29.97 45.0323 -30.6549 36.9579 TIMING: 3097000 CPU: 8989.99, 0.00292416/step Wall: 8989.99, 0.00292416/step, 1.54574 hours remaining, 207.585938 MB of memory in use. ENERGY: 3097000 736.3719 2128.0486 1983.3546 129.3466 -205956.3093 17741.2489 0.0000 0.0000 34483.0482 -148754.8904 301.1490 -183237.9387 -148652.7674 300.2228 -21.3992 10.5564 558294.0172 -14.1606 -14.2321 PRESSURE: 3097200 32.489 -47.3479 33.8444 -47.3472 -10.1275 -14.916 33.8439 -14.9158 112.75 GPRESSURE: 3097200 55.2549 -68.7215 113.547 -124.747 12.5357 -66.9794 5.89599 -50.8778 149.272 PRESSAVG: 3097200 31.8378 -20.7735 -2.77027 -20.7734 -51.4672 -12.8753 -2.77041 -12.8753 -7.47651 GPRESSAVG: 3097200 31.0603 -23.4284 -2.91027 -21.6678 -52.0402 -13.6359 -4.17463 -12.4753 -6.36879 TIMING: 3097200 CPU: 8990.57, 0.00290803/step Wall: 8990.57, 0.00290803/step, 1.53705 hours remaining, 207.585938 MB of memory in use. ENERGY: 3097200 727.8440 2043.6634 1957.7405 122.8649 -205835.8330 17704.4547 0.0000 0.0000 34401.0178 -148878.2477 300.4326 -183279.2655 -148787.3307 300.7553 45.0371 72.3542 558476.1545 -9.0353 -9.1162 PRESSURE: 3097400 210.409 44.1083 -200.648 44.1078 -73.3724 -182.745 -200.648 -182.746 55.5745 GPRESSURE: 3097400 242.621 45.674 -168.783 28.327 -49.1126 -196.619 -235.863 -162.011 98.9926 PRESSAVG: 3097400 -5.29868 -34.9737 -3.74407 -34.9737 18.5168 -19.2693 -3.74409 -19.2693 12.5394 GPRESSAVG: 3097400 -4.94408 -35.4319 -5.10343 -33.338 19.2671 -17.6971 -4.0097 -21.3807 12.121 TIMING: 3097400 CPU: 8991.15, 0.00292523/step Wall: 8991.15, 0.00292523/step, 1.54599 hours remaining, 207.585938 MB of memory in use. ENERGY: 3097400 704.6682 2107.9713 1957.7253 114.4471 -206167.9213 17884.7382 0.0000 0.0000 34334.7865 -149063.5847 299.8542 -183398.3712 -148972.0491 299.5321 64.2036 97.5003 558387.8419 8.5858 8.8147 PRESSURE: 3097600 -160.511 -74.9361 -86.0409 -74.9364 -168.912 -118.735 -86.0407 -118.735 -297.429 GPRESSURE: 3097600 -147.636 -108.709 -84.9431 -47.0246 -125.723 -152.507 -77.6885 -69.8282 -259.042 PRESSAVG: 3097600 -63.6614 -12.1791 -49.0228 -12.1791 74.9086 11.38 -49.0229 11.3801 -19.9999 GPRESSAVG: 3097600 -62.6091 -11.0187 -47.6307 -13.1271 74.6485 9.82 -49.7447 13.3566 -21.0429 TIMING: 3097600 CPU: 8991.74, 0.00293638/step Wall: 8991.74, 0.00293638/step, 1.55172 hours remaining, 207.585938 MB of memory in use. ENERGY: 3097600 723.6042 2087.7577 1977.8310 119.1646 -205786.6832 17384.1218 0.0000 0.0000 34165.3855 -149328.8185 298.3748 -183494.2040 -149230.0006 299.4469 -208.9506 -177.4673 559580.9744 -2.9175 -3.0012 PRESSURE: 3097800 -113.233 -161.403 5.78646 -161.403 -11.4421 -129.995 5.78594 -129.995 -145.809 GPRESSURE: 3097800 -60.0209 -153.078 3.64411 -35.2183 16.117 -174.193 10.9622 -71.0564 -130.734 PRESSAVG: 3097800 7.06267 -15.6933 -6.28937 -15.6933 0.86111 -23.8287 -6.28935 -23.8287 1.10045 GPRESSAVG: 3097800 7.24204 -17.2888 -7.64589 -13.6526 -0.0764109 -23.2802 -5.44175 -23.1692 1.84593 TIMING: 3097800 CPU: 8992.33, 0.00295049/step Wall: 8992.33, 0.00295049/step, 1.559 hours remaining, 207.585938 MB of memory in use. ENERGY: 3097800 729.5731 2090.5372 1955.0410 120.6137 -206216.8281 17697.5371 0.0000 0.0000 34158.0232 -149465.5028 298.3105 -183623.5261 -149367.3951 298.3229 -90.1615 -58.2127 557173.8618 3.0081 3.0039 PRESSURE: 3098000 -211.27 6.94157 60.2517 6.94173 -207.983 -3.3689 60.2516 -3.37005 -107.587 GPRESSURE: 3098000 -138.189 7.07061 68.8225 18.7137 -244.926 23.8922 51.9042 92.5419 -44.4631 PRESSAVG: 3098000 -63.3191 24.1358 7.52194 24.1359 6.00655 -42.2553 7.52193 -42.2554 29.8793 GPRESSAVG: 3098000 -64.5508 26.5401 7.8174 22.3153 7.61362 -42.3788 7.02613 -43.8877 29.3348 TIMING: 3098000 CPU: 8992.91, 0.00291883/step Wall: 8992.91, 0.00291883/step, 1.54211 hours remaining, 207.585938 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: 3098000 713.9658 2146.9151 1972.0433 113.9064 -206013.2248 17523.5696 0.0000 0.0000 34124.7134 -149418.1113 298.0196 -183542.8246 -149319.4636 297.6907 -175.6136 -142.5258 557314.3726 -9.1444 -9.2008 PRESSURE: 3098200 -34.1288 6.50154 75.9196 6.50167 -183.737 86.514 75.9196 86.5147 204.062 GPRESSURE: 3098200 -13.7225 48.6914 86.5106 -61.3043 -170.872 74.7854 77.9582 118.384 272.348 PRESSAVG: 3098200 44.502 40.2996 31.1177 40.2996 -48.8555 2.10242 31.1177 2.10227 50.9426 GPRESSAVG: 3098200 45.5558 41.8078 30.3254 38.8053 -49.6058 2.07701 32.8163 2.14447 50.0856 TIMING: 3098200 CPU: 8993.5, 0.00292875/step Wall: 8993.5, 0.00292875/step, 1.54719 hours remaining, 207.585938 MB of memory in use. ENERGY: 3098200 754.9497 2094.1436 1940.4665 110.0222 -206062.5054 17810.5278 0.0000 0.0000 34078.7672 -149273.6285 297.6183 -183352.3957 -149177.2489 298.4515 -4.6011 29.2512 557552.4455 15.5297 15.3452 PRESSURE: 3098400 -65.0634 19.8516 -208.874 19.8518 142.651 -59.1774 -208.875 -59.1774 8.66543 GPRESSURE: 3098400 -59.6863 47.9971 -200.197 114.888 186.204 -93.0397 -187.064 56.2471 54.0287 PRESSAVG: 3098400 -78.1294 -20.8952 -39.3093 -20.8951 -10.0206 68.8829 -39.3094 68.8828 34.4909 GPRESSAVG: 3098400 -79.8031 -23.3688 -38.6992 -19.2044 -9.73485 69.7293 -40.5666 67.1553 35.9826 TIMING: 3098400 CPU: 8994.09, 0.00293828/step Wall: 8994.09, 0.00293828/step, 1.55206 hours remaining, 207.585938 MB of memory in use. ENERGY: 3098400 748.9950 2093.7740 1983.5698 111.8914 -206065.2497 17695.5077 0.0000 0.0000 34275.6984 -149155.8134 299.3382 -183431.5118 -149057.6701 298.8333 28.7510 60.1822 556461.4955 -17.8864 -17.8518 PRESSURE: 3098600 -42.5554 -84.4664 -21.5245 -84.4661 169.958 20.2118 -21.5247 20.2114 134.872 GPRESSURE: 3098600 30.4722 -124.443 78.8299 -49.7258 159.64 34.2156 -14.4145 17.6479 160.876 PRESSAVG: 3098600 -40.8946 32.4208 -59.0102 32.4208 98.0477 -9.38486 -59.0103 -9.3849 23.5649 GPRESSAVG: 3098600 -39.6716 31.6675 -57.7787 33.3318 97.7345 -12.4083 -57.4457 -7.11879 22.7346 TIMING: 3098600 CPU: 8994.67, 0.00292644/step Wall: 8994.67, 0.00292644/step, 1.54565 hours remaining, 207.585938 MB of memory in use. ENERGY: 3098600 734.0588 2131.0476 1933.0274 124.3431 -206420.8572 17958.0219 0.0000 0.0000 34186.6012 -149353.7573 298.5601 -183540.3585 -149260.9401 299.1627 87.4247 116.9960 556915.9604 26.9060 26.9325 PRESSURE: 3098800 39.8753 72.6753 -9.09593 72.6732 74.8491 107.729 -9.09611 107.73 100.332 GPRESSURE: 3098800 104.514 66.6982 -58.7921 31.368 89.7036 152.311 -44.6531 119.093 118.654 PRESSAVG: 3098800 33.521 27.6997 -9.65289 27.6996 43.1314 -6.91345 -9.65289 -6.91339 -52.178 GPRESSAVG: 3098800 32.589 28.5049 -12.5494 27.4058 43.1028 -2.95571 -10.1839 -7.21786 -52.0188 TIMING: 3098800 CPU: 8995.26, 0.00293993/step Wall: 8995.26, 0.00293993/step, 1.55261 hours remaining, 207.585938 MB of memory in use. ENERGY: 3098800 726.5747 2128.5293 1971.8935 133.1928 -206507.6810 17810.4297 0.0000 0.0000 34294.9337 -149442.1272 299.5062 -183737.0609 -149342.0615 298.7530 71.6855 104.2906 556334.5585 8.1582 7.8910 PRESSURE: 3099000 220.24 -80.0941 148.709 -80.0941 172.975 76.806 148.708 76.8065 237.016 GPRESSURE: 3099000 241.794 -55.658 213.046 -107.813 212.259 16.927 84.677 92.9264 282.311 PRESSAVG: 3099000 -8.25129 -11.4636 -1.84555 -11.4636 55.4844 28.4493 -1.84557 28.4493 -58.7927 GPRESSAVG: 3099000 -8.03738 -10.5181 0.865838 -10.5808 54.9871 28.0785 -2.85843 27.9513 -59.0914 TIMING: 3099000 CPU: 8995.85, 0.00292645/step Wall: 8995.85, 0.00292645/step, 1.54533 hours remaining, 207.585938 MB of memory in use. ENERGY: 3099000 739.8446 2142.8410 1986.1349 113.0653 -206765.4529 18101.1215 0.0000 0.0000 34207.9114 -149474.5343 298.7462 -183682.4457 -149385.3613 299.3886 210.0768 245.4547 555387.9281 -3.8532 -4.0472 PRESSURE: 3099200 66.6306 -124.014 -67.7197 -124.014 -19.2115 34.5957 -67.7203 34.5943 2.76927 GPRESSURE: 3099200 117.46 -80.2485 -25.818 -157.638 -4.16887 8.83881 -47.7517 -39.7118 30.0613 PRESSAVG: 3099200 61.104 -84.7794 -42.5653 -84.7794 -10.2775 -22.0587 -42.5654 -22.0588 -32.6889 GPRESSAVG: 3099200 59.9092 -84.6245 -45.1548 -85.5502 -9.62676 -24.9073 -40.8997 -22.931 -31.7475 TIMING: 3099200 CPU: 8996.43, 0.0029187/step Wall: 8996.43, 0.0029187/step, 1.54108 hours remaining, 207.585938 MB of memory in use. ENERGY: 3099200 732.2521 2147.6626 1973.7447 105.2950 -206785.5726 18007.0149 0.0000 0.0000 34294.0433 -149525.5600 299.4984 -183819.6033 -149429.7057 299.1834 16.7295 47.7843 555709.8528 6.0459 6.1783 PRESSURE: 3099400 140.163 -9.86274 314.49 -9.8625 29.1151 134.675 314.49 134.675 -20.0458 GPRESSURE: 3099400 115.865 -25.4182 257.924 40.9909 80.0246 49.5088 288.096 198.148 53.896 PRESSAVG: 3099400 37.783 -19.2074 -33.029 -19.2074 -43.4868 -18.5708 -33.0291 -18.5708 13.5167 GPRESSAVG: 3099400 38.9177 -19.8702 -29.6074 -19.2585 -43.9748 -17.526 -34.0686 -15.4926 13.0573 TIMING: 3099400 CPU: 8997.02, 0.00294273/step Wall: 8997.02, 0.00294273/step, 1.5536 hours remaining, 207.585938 MB of memory in use. ENERGY: 3099400 785.7216 2157.7903 1971.5446 121.5400 -206804.9228 18069.5462 0.0000 0.0000 34130.8673 -149567.9127 298.0734 -183698.7801 -149467.4658 298.5157 49.7441 83.2620 556018.0233 2.6043 2.6667 PRESSURE: 3099600 141.078 -148.656 91.467 -148.655 15.5187 -51.6686 91.4667 -51.6688 129.843 GPRESSURE: 3099600 173.446 -218.713 77.1369 -200.934 -1.44488 -152.458 67.9957 -87.2263 207.583 PRESSAVG: 3099600 25.3918 -61.9039 36.946 -61.9039 -49.6801 20.419 36.946 20.4192 12.2734 GPRESSAVG: 3099600 24.3468 -63.4185 35.8168 -59.4956 -48.6869 19.6344 37.4949 19.2651 12.5473 TIMING: 3099600 CPU: 8997.61, 0.00294421/step Wall: 8997.61, 0.00294421/step, 1.55421 hours remaining, 207.656250 MB of memory in use. ENERGY: 3099600 785.3736 2063.3214 1957.9242 121.8491 -206636.3771 17936.3294 0.0000 0.0000 34194.5602 -149577.0192 298.6296 -183771.5795 -149480.5451 297.9931 95.4798 126.5281 556193.7663 -4.0049 -3.9309 PRESSURE: 3099800 64.3118 5.43822 -59.9355 5.43855 2.57181 -63.4324 -59.935 -63.4316 -121.383 GPRESSURE: 3099800 82.1112 22.1193 -29.7753 -10.6226 19.1484 -16.5817 -53.0517 -106.414 -75.4348 PRESSAVG: 3099800 25.3761 -5.36175 30.6254 -5.36169 13.0611 -51.5302 30.6254 -51.5301 -51.1536 GPRESSAVG: 3099800 26.3289 -3.57937 31.3974 -7.28353 12.0659 -49.7407 30.0242 -52.5577 -51.2794 TIMING: 3099800 CPU: 8998.19, 0.00291577/step Wall: 8998.19, 0.00291577/step, 1.53904 hours remaining, 207.656250 MB of memory in use. ENERGY: 3099800 769.9113 2150.9536 1978.7876 124.2131 -206592.2739 17891.6708 0.0000 0.0000 34206.3787 -149470.3587 298.7328 -183676.7374 -149363.7929 298.6510 -18.1664 8.6082 556701.3184 -4.2388 -4.2948 PRESSURE: 3100000 -95.5375 18.5607 55.2883 18.56 -243.167 -202.936 55.2877 -202.937 155.201 GPRESSURE: 3100000 -75.3395 12.4711 72.3634 26.0732 -187.969 -225.421 -35.3202 -181.952 182.484 PRESSAVG: 3100000 -21.8636 -8.99159 50.6979 -8.99163 -25.4132 -10.5838 50.6979 -10.5838 81.2988 GPRESSAVG: 3100000 -21.5258 -9.42057 51.5881 -10.2235 -24.6706 -11.1508 49.6398 -9.679 80.198 TIMING: 3100000 CPU: 8998.77, 0.00291092/step Wall: 8998.77, 0.00291092/step, 1.53632 hours remaining, 207.656250 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: 3100000 768.0326 2124.0263 1985.1595 118.8561 -206510.5102 17781.4550 0.0000 0.0000 34227.5355 -149505.4451 298.9176 -183732.9806 -149404.6816 298.8881 -61.1677 -26.9414 556636.6013 11.3407 11.3339 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 77.8285 125.824 -40.3395 125.824 -185.149 172.673 -40.3399 172.673 -120.135 GPRESSURE: 3100200 108.056 20.9427 21.7289 249.221 -150.235 212.313 -27.3245 109.47 -76.0039 PRESSAVG: 3100200 -38.7709 -47.4049 -14.9196 -47.4049 21.5189 -6.75564 -14.9197 -6.75552 25.1015 GPRESSAVG: 3100200 -39.8253 -47.8482 -15.8136 -46.4837 20.4498 -7.77351 -14.2123 -6.05109 26.7165 TIMING: 3100200 CPU: 8999.42, 0.00322177/step Wall: 8999.42, 0.00322177/step, 1.7002 hours remaining, 207.781250 MB of memory in use. ENERGY: 3100200 770.6248 2113.6170 1982.5508 113.6524 -206198.0031 17741.7025 0.0000 0.0000 34019.1968 -149456.6587 297.0981 -183475.8555 -149364.3085 298.7529 -75.8184 -39.3943 557076.8795 2.6165 2.4470 LDB: ============= START OF LOAD BALANCING ============== 9002.88 LDB: ============== END OF LOAD BALANCING =============== 9002.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9002.89 LDB: ============= START OF LOAD BALANCING ============== 9003.18 LDB: Largest compute 4848 load 0.030386 is 25.8% of average load 0.117731 LDB: Average compute 0.001719 is 1.5% of average load 0.117731 LDB: TIME 9003.18 LOAD: AVG 0.117731 MAX 0.178913 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 9003.18 LOAD: AVG 0.117731 MAX 0.178913 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.941 MB LDB: TIME 9003.18 LOAD: AVG 0.117731 MAX 0.178913 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9003.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9003.19 PRESSURE: 3100400 126.522 31.85 -32.5686 31.8502 -59.4759 -52.8961 -32.5687 -52.8952 -42.7089 GPRESSURE: 3100400 105.197 -6.29942 76.9335 85.8259 -15.3732 -93.8792 -5.56338 42.4237 28.7224 PRESSAVG: 3100400 -10.359 -2.66321 -32.7236 -2.66331 25.8549 -18.0491 -32.7236 -18.0492 -2.25892 GPRESSAVG: 3100400 -10.7693 -0.097901 -33.6492 -3.47599 27.0391 -17.3916 -32.3899 -19.2175 -2.22989 TIMING: 3100400 CPU: 9000.01, 0.00297388/step Wall: 9000.01, 0.00297388/step, 1.56922 hours remaining, 205.632812 MB of memory in use. ENERGY: 3100400 715.7779 2147.7929 1978.8788 109.9506 -206933.4120 18148.9087 0.0000 0.0000 34307.7754 -149524.3276 299.6183 -183832.1030 -149423.9397 298.5967 8.1122 39.5155 558407.9247 4.4123 4.6800 PRESSURE: 3100600 -14.9305 31.1673 7.96984 31.1671 35.9599 -87.539 7.97088 -87.5386 -350.597 GPRESSURE: 3100600 11.181 -12.5007 83.2823 109.478 45.3283 -41.3689 -5.06114 -71.8084 -287.366 PRESSAVG: 3100600 -8.55576 11.009 35.8819 11.009 -55.6838 -18.4152 35.8819 -18.4152 -3.35453 GPRESSAVG: 3100600 -8.00898 10.0274 35.1094 9.81451 -55.533 -17.496 37.1628 -19.7844 -4.15923 TIMING: 3100600 CPU: 9000.6, 0.00293959/step Wall: 9000.6, 0.00293959/step, 1.55096 hours remaining, 206.093750 MB of memory in use. ENERGY: 3100600 741.0240 2116.7452 1950.1369 124.7387 -206341.5697 17719.7553 0.0000 0.0000 34264.9659 -149424.2037 299.2445 -183689.1696 -149331.1637 298.1873 -109.8557 -76.9523 558308.5332 -22.5314 -22.5671 PRESSURE: 3100800 179.15 6.48195 -42.2418 6.48262 -182.327 -15.9228 -42.2411 -15.9229 -124.573 GPRESSURE: 3100800 242.318 23.9775 14.3567 -49.0716 -148.962 -81.3574 -56.613 4.89101 -122.877 PRESSAVG: 3100800 32.2851 12.5314 -5.55632 12.5314 45.3487 -51.1788 -5.55638 -51.1789 -48.0366 GPRESSAVG: 3100800 32.6846 12.2202 -5.58875 13.7933 45.1422 -54.7311 -6.53229 -48.2072 -47.908 TIMING: 3100800 CPU: 9001.19, 0.00294022/step Wall: 9001.19, 0.00294022/step, 1.55113 hours remaining, 206.093750 MB of memory in use. ENERGY: 3100800 740.4493 2077.6862 1995.8963 123.8703 -206697.5284 18009.1143 0.0000 0.0000 34253.5034 -149497.0086 299.1444 -183750.5120 -149396.1106 298.0273 -42.5832 -9.8405 557519.1705 9.8657 9.9729 PRESSURE: 3101000 44.3141 161.444 13.6029 161.443 64.8743 18.0396 13.6023 18.0403 -270.497 GPRESSURE: 3101000 105.141 181.032 -42.9727 205.539 70.2092 65.4753 32.0755 -47.6296 -239.558 PRESSAVG: 3101000 5.76862 45.3427 10.451 45.3427 -18.958 -23.9112 10.4509 -23.9113 -4.73888 GPRESSAVG: 3101000 5.36594 43.907 10.9161 46.8753 -18.8622 -20.7903 8.32662 -24.9093 -4.85261 TIMING: 3101000 CPU: 9001.77, 0.00293257/step Wall: 9001.77, 0.00293257/step, 1.54693 hours remaining, 206.093750 MB of memory in use. ENERGY: 3101000 745.0945 2072.6930 1968.5855 101.7479 -206239.6962 17831.7485 0.0000 0.0000 34242.4437 -149277.3831 299.0478 -183519.8268 -149177.5599 299.0695 -53.7695 -21.4026 556629.9452 -5.9761 -6.1163 PRESSURE: 3101200 -306.127 16.9723 5.26039 16.9725 -357.466 85.7041 5.26066 85.7035 -352.299 GPRESSURE: 3101200 -279.003 29.7518 34.2652 45.4848 -341.897 -6.71452 12.2317 206.871 -290.271 PRESSAVG: 3101200 56.8659 32.7876 -26.864 32.7877 10.4861 -34.8072 -26.8641 -34.8072 -60.7395 GPRESSAVG: 3101200 56.5071 33.7181 -24.0643 30.2557 10.0299 -34.8022 -27.0717 -34.4556 -59.9759 TIMING: 3101200 CPU: 9002.36, 0.00294027/step Wall: 9002.36, 0.00294027/step, 1.55083 hours remaining, 206.093750 MB of memory in use. ENERGY: 3101200 785.1494 2105.5878 1965.8386 113.3322 -205562.6344 17298.4275 0.0000 0.0000 34126.2823 -149168.0167 298.0333 -183294.2990 -149073.3266 299.2654 -338.6308 -303.7237 558591.5918 2.2042 2.1870 PRESSURE: 3101400 -61.4407 35.5833 -1.04993 35.5835 -307.174 190.095 -1.0511 190.095 -254.303 GPRESSURE: 3101400 -15.8968 106.425 59.9131 31.2456 -212.393 110.787 -81.5995 130.767 -287.391 PRESSAVG: 3101400 4.68457 -7.60855 -2.06113 -7.60857 4.96315 0.278391 -2.06116 0.278351 -12.3569 GPRESSAVG: 3101400 6.42601 -7.56405 -5.79164 -6.0085 3.85367 0.341485 0.390414 -1.01868 -12.7621 TIMING: 3101400 CPU: 9002.95, 0.00292037/step Wall: 9002.95, 0.00292037/step, 1.54017 hours remaining, 206.269531 MB of memory in use. ENERGY: 3101400 736.3500 2097.9277 1954.1844 114.0874 -205511.1513 17289.8342 0.0000 0.0000 34250.3238 -149068.4438 299.1166 -183318.7676 -148972.4551 299.8828 -207.6390 -171.8934 557157.8782 -0.9030 -0.8275 PRESSURE: 3101600 -423.005 136.2 -19.2573 136.2 -272.155 22.0736 -19.2585 22.0729 -621.242 GPRESSURE: 3101600 -429.127 167.963 75.6721 93.9204 -263.512 31.9445 -99.6495 -86.0033 -535.125 PRESSAVG: 3101600 -13.2928 4.95198 -8.54926 4.95195 21.0982 -20.0775 -8.54924 -20.0775 -4.98862 GPRESSAVG: 3101600 -14.1242 5.61195 -8.71754 4.92066 22.7652 -17.6107 -10.0811 -22.2191 -5.82795 TIMING: 3101600 CPU: 9003.54, 0.00294653/step Wall: 9003.54, 0.00294653/step, 1.5538 hours remaining, 206.269531 MB of memory in use. ENERGY: 3101600 752.0257 2159.9947 1972.8329 105.9100 -205556.8437 17258.9920 0.0000 0.0000 34156.1093 -149150.9790 298.2938 -183307.0882 -149038.0081 299.2610 -438.8007 -409.2547 559635.9389 0.9389 0.9377 PRESSURE: 3101800 -104.566 -260.417 -110.246 -260.417 -385.905 -52.8821 -110.246 -52.8809 -303.313 GPRESSURE: 3101800 -82.1467 -252.643 -143.481 -209.168 -355.704 -74.0728 -85.4188 -62.6435 -267.885 PRESSAVG: 3101800 29.8023 -7.62801 -23.7191 -7.62801 4.26747 28.0617 -23.7191 28.0616 -45.4575 GPRESSAVG: 3101800 29.9164 -8.00218 -20.3338 -9.4037 4.17732 26.6174 -23.5198 29.2544 -46.3644 TIMING: 3101800 CPU: 9004.12, 0.00292395/step Wall: 9004.12, 0.00292395/step, 1.54173 hours remaining, 206.269531 MB of memory in use. ENERGY: 3101800 738.5247 2088.2467 1975.0574 121.2028 -205749.9612 17361.0221 0.0000 0.0000 34208.2689 -149257.6385 298.7493 -183465.9075 -149158.2888 299.0068 -264.5947 -235.2452 558086.4536 -3.7959 -4.0903 PRESSURE: 3102000 225.366 156.611 -85.4449 156.611 40.1627 -126.156 -85.4456 -126.157 168.468 GPRESSURE: 3102000 269.364 54.0166 -129.696 220.906 92.5822 -109.138 -125.698 -116.567 164.252 PRESSAVG: 3102000 12.9816 -23.9575 -41.294 -23.9576 -24.3828 35.5425 -41.294 35.5424 22.7109 GPRESSAVG: 3102000 11.786 -25.1586 -43.8656 -21.8063 -25.0088 33.8507 -40.8858 36.7786 24.5462 TIMING: 3102000 CPU: 9004.71, 0.00292656/step Wall: 9004.71, 0.00292656/step, 1.54295 hours remaining, 206.269531 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: 3102000 738.5358 2060.8120 1957.6692 111.0470 -206588.0880 18169.3250 0.0000 0.0000 34142.1821 -149408.5169 298.1722 -183550.6989 -149314.5993 298.8713 144.6655 175.3995 557701.6324 3.7699 3.7745 PRESSURE: 3102200 -188.46 20.5123 -174.965 20.5112 81.8672 108.468 -174.965 108.468 -106.88 GPRESSURE: 3102200 -196.959 7.18901 -121.357 -1.6017 149.625 66.4929 -183.628 97.8396 -76.0001 PRESSAVG: 3102200 -2.48885 4.7368 -33.2393 4.73698 -27.8493 -37.4106 -33.2393 -37.4106 22.4739 GPRESSAVG: 3102200 -1.50605 4.54622 -29.5033 4.6265 -26.6507 -39.0545 -33.927 -35.5657 20.4964 TIMING: 3102200 CPU: 9005.29, 0.00293665/step Wall: 9005.29, 0.00293665/step, 1.54811 hours remaining, 206.269531 MB of memory in use. ENERGY: 3102200 746.7177 2127.4219 1960.2544 109.8491 -206247.9518 17860.6224 0.0000 0.0000 34160.7908 -149282.2956 298.3347 -183443.0864 -149188.0836 298.7401 -71.1577 -41.1111 558779.2823 -2.6214 -2.5535 PRESSURE: 3102400 156.223 -54.1039 14.4201 -54.1034 -176.83 -42.3474 14.4195 -42.3485 -101.529 GPRESSURE: 3102400 172.886 -85.3187 31.8256 -44.1688 -153.488 -30.1361 7.57889 -11.7946 -48.4049 PRESSAVG: 3102400 -71.5458 -11.3926 39.068 -11.3927 47.3932 17.6243 39.0681 17.6244 33.5461 GPRESSAVG: 3102400 -71.5794 -11.5104 35.0476 -11.7175 46.6557 20.1607 40.4586 17.0217 34.5499 TIMING: 3102400 CPU: 9005.88, 0.00292902/step Wall: 9005.88, 0.00292902/step, 1.54392 hours remaining, 206.269531 MB of memory in use. ENERGY: 3102400 785.2723 2083.3400 1946.6652 116.7281 -206092.6045 17697.7987 0.0000 0.0000 34392.8903 -149069.9100 300.3617 -183462.8003 -148983.9616 299.2278 -40.7122 -9.6689 557045.2797 3.1311 3.2087 PRESSURE: 3102600 -201.95 -153.059 -100.846 -153.059 -37.0061 136.06 -100.845 136.06 -118.754 GPRESSURE: 3102600 -108.155 -94.523 -58.2758 -115.169 -58.2486 116.961 -149.527 207.523 -113.735 PRESSAVG: 3102600 47.4127 -42.7213 2.26241 -42.7213 -31.1058 -6.54257 2.26252 -6.54273 -34.5611 GPRESSAVG: 3102600 47.0013 -40.4443 2.63102 -44.0671 -31.7072 -7.50885 0.592332 -8.1214 -33.6936 TIMING: 3102600 CPU: 9006.47, 0.00293229/step Wall: 9006.47, 0.00293229/step, 1.54548 hours remaining, 206.269531 MB of memory in use. ENERGY: 3102600 739.4377 2119.3440 1963.5622 118.8054 -205671.7644 17491.9176 0.0000 0.0000 34293.4103 -148945.2872 299.4929 -183238.6975 -148849.0910 299.8529 -119.2365 -93.3795 557020.3719 -6.0847 -6.1332 PRESSURE: 3102800 -331.591 83.2824 -280.441 83.2816 55.8285 -26.0852 -280.441 -26.0858 -35.6823 GPRESSURE: 3102800 -305.106 61.6969 -281.653 89.1077 50.7794 2.98984 -320.13 -4.11493 46.208 PRESSAVG: 3102800 -9.21177 -0.222333 -23.6887 -0.22231 53.9995 2.64811 -23.6887 2.64822 -23.29 GPRESSAVG: 3102800 -9.61769 -1.97198 -22.7527 1.73679 54.1908 3.18195 -23.6932 4.09864 -23.2555 TIMING: 3102800 CPU: 9007.05, 0.00293005/step Wall: 9007.05, 0.00293005/step, 1.54414 hours remaining, 206.269531 MB of memory in use. ENERGY: 3102800 720.9896 2131.1271 1983.3917 115.2726 -206004.0083 17601.1555 0.0000 0.0000 34260.9715 -149191.1004 299.2096 -183452.0719 -149095.1170 299.5988 -103.8149 -69.3727 557523.7666 7.1659 7.1059 PRESSURE: 3103000 1.48138 -44.3848 -48.0562 -44.3843 176.476 -167.302 -48.0565 -167.302 -41.2853 GPRESSURE: 3103000 88.5925 -87.9454 -27.5497 -42.2718 163.373 -161.131 -129.023 -164.644 1.12304 PRESSAVG: 3103000 -31.5117 -23.9646 -31.554 -23.9647 25.4199 20.5637 -31.554 20.5636 -11.6608 GPRESSAVG: 3103000 -30.5092 -24.0626 -32.0842 -24.3825 25.5753 21.7432 -31.827 17.5934 -12.9516 TIMING: 3103000 CPU: 9007.64, 0.00292798/step Wall: 9007.64, 0.00292798/step, 1.54288 hours remaining, 206.269531 MB of memory in use. ENERGY: 3103000 718.6649 2108.2153 1961.8414 108.7788 -206602.2588 18074.9477 0.0000 0.0000 34440.9125 -149188.8982 300.7811 -183629.8107 -149083.7506 299.4069 45.5575 84.3629 558121.9235 -5.9175 -5.9618 PRESSURE: 3103200 -147.974 40.5297 -9.07887 40.5303 -463.844 65.7947 -9.07891 65.7938 -292.322 GPRESSURE: 3103200 -107.884 15.0273 13.5177 12.0676 -397.428 66.2295 -14.9612 73.6841 -289.142 PRESSAVG: 3103200 1.12541 5.58374 -3.59997 5.58375 -31.4754 -29.8455 -3.6 -29.8454 34.6641 GPRESSAVG: 3103200 0.502706 7.31998 -2.13043 5.14148 -32.2947 -30.6273 -2.12033 -28.6628 36.1003 TIMING: 3103200 CPU: 9008.22, 0.00293195/step Wall: 9008.22, 0.00293195/step, 1.54481 hours remaining, 206.269531 MB of memory in use. ENERGY: 3103200 788.1692 2080.2966 1979.3518 114.9444 -205802.9637 17411.0702 0.0000 0.0000 34298.0923 -149131.0393 299.5338 -183429.1315 -149035.7039 299.5859 -301.3798 -264.8179 557996.4312 1.4380 1.4361 PRESSURE: 3103400 -61.1396 -2.60096 23.4562 -2.60022 220.55 -92.3491 23.4574 -92.3494 -43.1081 GPRESSURE: 3103400 -20.4833 -45.8045 55.375 34.2733 236.872 -104.478 7.18527 -91.6624 -4.6806 PRESSAVG: 3103400 -23.5128 30.3744 -15.079 30.3744 51.9903 -8.30499 -15.0789 -8.30487 -17.7176 GPRESSAVG: 3103400 -24.7098 28.2366 -15.9814 30.3235 52.5654 -8.44893 -15.9268 -7.81011 -16.8926 TIMING: 3103400 CPU: 9008.81, 0.00292674/step Wall: 9008.81, 0.00292674/step, 1.5419 hours remaining, 206.269531 MB of memory in use. ENERGY: 3103400 766.7939 2017.3805 1970.0636 106.8861 -206204.4199 17811.0287 0.0000 0.0000 34271.9021 -149260.3649 299.3050 -183532.2670 -149165.4020 299.2721 38.7674 70.5693 556234.6121 3.5866 3.6543 PRESSURE: 3103600 -111.784 105.378 -84.9918 105.378 -69.2349 96.3883 -84.9918 96.3873 -247.136 GPRESSURE: 3103600 -26.39 191.573 7.97494 43.192 -84.085 120.805 -33.8086 111.999 -224.17 PRESSAVG: 3103600 -29.8254 -1.17407 -37.8068 -1.17412 78.4214 -39.3889 -37.8068 -39.389 -32.3721 GPRESSAVG: 3103600 -28.2614 1.25522 -39.6133 -3.23789 78.7576 -39.6087 -35.7518 -40.602 -34.1871 TIMING: 3103600 CPU: 9009.39, 0.00290942/step Wall: 9009.39, 0.00290942/step, 1.53262 hours remaining, 206.269531 MB of memory in use. ENERGY: 3103600 768.3984 2080.7150 1942.5424 115.1623 -206113.0309 17489.4289 0.0000 0.0000 34603.7608 -149113.0231 302.2032 -183716.7839 -149013.6829 300.1980 -142.7181 -111.5483 557253.3096 5.4080 5.4364 PRESSURE: 3103800 -16.0751 -128.212 -6.77864 -128.213 -108.252 -99.8733 -6.77923 -99.8732 -208.102 GPRESSURE: 3103800 20.9371 -125.017 -54.6941 -120.462 -31.4329 -50.6536 15.4246 -166.51 -213.086 PRESSAVG: 3103800 -21.2989 -28.0755 16.6316 -28.0756 23.4005 31.1746 16.6316 31.1745 31.1801 GPRESSAVG: 3103800 -21.7779 -29.726 16.1587 -27.5661 22.7311 30.7018 17.1158 30.6553 32.1778 TIMING: 3103800 CPU: 9009.97, 0.00290948/step Wall: 9009.97, 0.00290948/step, 1.53249 hours remaining, 206.269531 MB of memory in use. ENERGY: 3103800 778.2400 2111.4202 1957.2197 114.7593 -205979.9621 17703.0864 0.0000 0.0000 34389.4101 -148925.8265 300.3313 -183315.2366 -148822.3427 300.7309 -110.8097 -74.5274 556165.6810 11.0939 11.0436 PRESSURE: 3104000 140.948 -0.491372 32.7295 -0.49189 -165.199 106.321 32.7285 106.32 -19.495 GPRESSURE: 3104000 122.874 -20.1666 90.216 -46.0443 -108.119 95.152 8.614 52.0545 38.4571 PRESSAVG: 3104000 55.6958 -16.4981 64.3988 -16.4981 -32.1563 55.7182 64.3989 55.7182 -17.7518 GPRESSAVG: 3104000 54.9105 -18.3074 66.3313 -13.9414 -32.473 55.3159 61.5656 57.8117 -17.0524 TIMING: 3104000 CPU: 9010.55, 0.00289843/step Wall: 9010.55, 0.00289843/step, 1.52651 hours remaining, 206.269531 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: 3104000 771.7208 2124.1727 1943.3620 111.7335 -206557.2372 18048.3412 0.0000 0.0000 34473.1687 -149084.7382 301.0628 -183557.9069 -148990.1234 300.7884 -14.5822 17.7373 557349.9574 1.9293 1.7950 PRESSURE: 3104200 77.9411 68.0158 66.5576 68.0163 14.0887 69.9777 66.5588 69.9772 -186.42 GPRESSURE: 3104200 79.3838 134.315 48.6017 41.5999 62.68 85.6123 83.6149 20.3441 -126.804 PRESSAVG: 3104200 21.9237 12.8755 -8.37768 12.8755 -6.38529 48.9461 -8.3777 48.946 -6.96379 GPRESSAVG: 3104200 22.9049 13.9076 -9.1689 11.5641 -6.88248 49.7128 -7.63014 49.3383 -7.56625 TIMING: 3104200 CPU: 9011.13, 0.00289843/step Wall: 9011.13, 0.00289843/step, 1.52635 hours remaining, 206.269531 MB of memory in use. ENERGY: 3104200 746.0946 2104.8223 1975.4943 106.3952 -205929.4936 17703.4119 0.0000 0.0000 34214.3103 -149078.9652 298.8021 -183293.2755 -148979.0426 299.9535 -31.4636 5.0865 556516.5330 2.8582 2.8187 LDB: ============= START OF LOAD BALANCING ============== 9014.6 LDB: ============== END OF LOAD BALANCING =============== 9014.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9014.6 LDB: ============= START OF LOAD BALANCING ============== 9014.89 LDB: Largest compute 4848 load 0.030198 is 25.6% of average load 0.117799 LDB: Average compute 0.001708 is 1.4% of average load 0.117799 LDB: TIME 9014.9 LOAD: AVG 0.117799 MAX 0.179206 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.66 MB LDB: TIME 9014.9 LOAD: AVG 0.117799 MAX 0.179206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: TIME 9014.9 LOAD: AVG 0.117799 MAX 0.179206 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9014.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9014.9 PRESSURE: 3104400 -260.679 96.6895 -64.4494 96.6905 -84.1261 50.8865 -64.4493 50.8875 49.3475 GPRESSURE: 3104400 -212.696 91.4959 -75.5487 129.396 -27.3388 32.3332 -89.4462 62.663 52.1851 PRESSAVG: 3104400 -22.7203 73.8798 30.1184 73.8798 -42.3746 -29.897 30.1184 -29.8969 -25.0453 GPRESSAVG: 3104400 -23.0034 76.117 31.1216 73.3453 -41.4268 -30.0086 28.414 -30.047 -25.0915 TIMING: 3104400 CPU: 9011.73, 0.00297819/step Wall: 9011.73, 0.00297819/step, 1.56818 hours remaining, 207.433594 MB of memory in use. ENERGY: 3104400 741.5116 2096.2359 1969.8790 102.5009 -206064.6834 17724.7536 0.0000 0.0000 34193.5852 -149236.2172 298.6211 -183429.8024 -149140.5102 299.5108 -98.4858 -62.6164 558832.4045 -30.0467 -29.8406 PRESSURE: 3104600 122.231 -30.3731 -65.9775 -30.3729 327.135 229.04 -65.9774 229.043 145.392 GPRESSURE: 3104600 201.291 -33.883 -65.1875 17.0976 360.925 156.847 -48.4667 165.262 126.418 PRESSAVG: 3104600 -3.28619 36.9412 0.661913 36.9411 7.90557 40.9436 0.66195 40.9435 -41.3117 GPRESSAVG: 3104600 -3.49117 37.0207 2.0938 38.3878 7.98595 40.3565 2.4433 42.5121 -40.852 TIMING: 3104600 CPU: 9012.31, 0.00292617/step Wall: 9012.31, 0.00292617/step, 1.54063 hours remaining, 207.636719 MB of memory in use. ENERGY: 3104600 723.1062 2104.3311 1962.1560 106.8121 -206310.3319 18147.5395 0.0000 0.0000 34106.0901 -149160.2969 297.8570 -183266.3869 -149066.3404 298.9900 198.2528 229.5444 558180.0886 -12.2308 -12.1191 PRESSURE: 3104800 -18.1737 23.2992 -111.269 23.3002 263.954 -31.293 -111.269 -31.2935 50.2848 GPRESSURE: 3104800 32.2747 26.7618 -82.5495 27.0269 280.388 -63.2372 -24.8403 -52.713 93.3441 PRESSAVG: 3104800 18.0193 27.9926 8.21295 27.9927 66.2487 57.462 8.21291 57.4619 -81.7366 GPRESSAVG: 3104800 17.9328 26.7954 6.9896 26.1575 67.3267 57.9034 7.45741 56.0604 -81.7065 TIMING: 3104800 CPU: 9012.9, 0.00295796/step Wall: 9012.9, 0.00295796/step, 1.5572 hours remaining, 207.636719 MB of memory in use. ENERGY: 3104800 736.2563 2041.1661 1974.7633 118.7657 -206607.0405 18070.2532 0.0000 0.0000 34313.0573 -149352.7786 299.6645 -183665.8358 -149254.2030 299.0722 98.6883 135.3358 556965.9697 0.8438 1.1843 PRESSURE: 3105000 -181.059 15.8219 -53.7812 15.8208 33.0598 80.8409 -53.7814 80.8413 -293.789 GPRESSURE: 3105000 -62.9974 46.7611 -69.8182 37.5053 26.7166 105.799 -20.268 9.93921 -309.775 PRESSAVG: 3105000 -79.6955 2.71737 28.0733 2.71742 98.6365 29.5067 28.0733 29.5066 -21.1323 GPRESSAVG: 3105000 -79.007 3.25251 26.7947 4.57949 97.9787 31.1603 28.3683 28.0728 -20.862 TIMING: 3105000 CPU: 9013.49, 0.00292568/step Wall: 9013.49, 0.00292567/step, 1.54004 hours remaining, 207.945312 MB of memory in use. ENERGY: 3105000 773.7657 2075.5961 1996.3378 109.6536 -206092.8627 17685.9318 0.0000 0.0000 34229.8743 -149221.7034 298.9380 -183451.5777 -149126.3770 299.6306 -147.2627 -115.3521 558744.2483 -0.7304 -0.6301 PRESSURE: 3105200 150.663 -71.973 93.8619 -71.9735 248.301 -94.3828 93.8603 -94.3826 114.909 GPRESSURE: 3105200 162.643 -23.4607 107.375 -74.4439 267.85 -59.9985 92.6277 -77.5144 182.458 PRESSAVG: 3105200 -30.5586 52.9652 17.675 52.9652 38.995 37.8203 17.6749 37.8204 -46.0183 GPRESSAVG: 3105200 -31.287 52.3416 20.0101 53.163 39.6049 36.4245 15.7901 36.9811 -46.2978 TIMING: 3105200 CPU: 9014.07, 0.00291227/step Wall: 9014.07, 0.00291227/step, 1.53283 hours remaining, 207.945312 MB of memory in use. ENERGY: 3105200 723.3562 2044.3448 1978.0721 115.6081 -206787.8052 18155.1595 0.0000 0.0000 34357.3471 -149413.9175 300.0513 -183771.2645 -149318.0541 299.0131 171.2909 204.3168 558408.9507 -12.5273 -12.6600 PRESSURE: 3105400 -137.28 -11.401 -140.937 -11.4003 -80.5297 22.2716 -140.939 22.2707 -81.6786 GPRESSURE: 3105400 -95.6142 30.7495 -154.791 -44.0795 -22.9035 5.16065 -149.002 18.6752 -78.5863 PRESSAVG: 3105400 -32.349 65.4921 -15.9819 65.4922 57.1928 14.1455 -15.9819 14.1456 -7.88884 GPRESSAVG: 3105400 -32.0149 65.1372 -17.8199 66.0885 56.7629 13.2498 -13.339 16.2409 -7.88628 TIMING: 3105400 CPU: 9014.66, 0.00291983/step Wall: 9014.66, 0.00291983/step, 1.53664 hours remaining, 207.945312 MB of memory in use. ENERGY: 3105400 771.4894 2050.2320 1946.4355 113.0068 -206569.8128 18019.8850 0.0000 0.0000 34266.3399 -149402.4241 299.2565 -183668.7640 -149304.7263 298.8855 -99.8293 -65.7013 557672.0875 5.6517 5.6206 PRESSURE: 3105600 -342.656 124.273 -58.8373 124.272 -156.304 -133.467 -58.8361 -133.467 -119.25 GPRESSURE: 3105600 -266.969 128.786 10.0787 68.6467 -160.199 -139.588 -71.7577 -118.545 -93.1332 PRESSAVG: 3105600 40.4097 22.0296 -18.2669 22.0296 4.29597 -54.1309 -18.2669 -54.1311 -24.4985 GPRESSAVG: 3105600 40.7597 22.3235 -17.945 20.8073 5.09511 -54.7368 -18.3153 -54.2388 -26.4114 TIMING: 3105600 CPU: 9015.23, 0.00289152/step Wall: 9015.23, 0.00289152/step, 1.52158 hours remaining, 207.945312 MB of memory in use. ENERGY: 3105600 725.6278 2138.2343 1939.3960 131.4124 -206227.8146 17560.2528 0.0000 0.0000 34295.1723 -149437.7189 299.5083 -183732.8912 -149339.3838 299.0251 -206.0698 -173.4338 558164.5471 6.7357 6.4811 PRESSURE: 3105800 -14.8743 171.659 -40.2422 171.66 -42.9903 7.82312 -40.2419 7.82365 37.258 GPRESSURE: 3105800 -12.1297 149.101 54.2574 93.6396 43.8993 -11.4291 -147.207 -12.4722 43.5815 PRESSAVG: 3105800 -5.16662 61.5319 -46.294 61.5319 26.3762 4.54696 -46.294 4.54698 -35.8575 GPRESSAVG: 3105800 -5.61967 60.6757 -46.9201 62.1725 25.3352 5.11533 -46.6171 3.22333 -34.615 TIMING: 3105800 CPU: 9015.81, 0.00288878/step Wall: 9015.81, 0.00288878/step, 1.51998 hours remaining, 207.945312 MB of memory in use. ENERGY: 3105800 737.5676 2074.7449 1957.3028 106.7215 -206516.2895 17875.3297 0.0000 0.0000 34327.7146 -149436.9085 299.7925 -183764.6231 -149337.0068 298.4051 -6.8689 25.1170 558311.0315 -4.8826 -4.9665 PRESSURE: 3106000 118.989 -38.7685 -62.9311 -38.7688 59.5061 -7.56891 -62.931 -7.56947 119.319 GPRESSURE: 3106000 157.16 -85.1976 -13.1319 -81.4976 90.4009 -1.41057 -107.085 -87.7019 146.971 PRESSAVG: 3106000 12.2486 27.1601 -13.7567 27.1601 -40.4074 42.7225 -13.7566 42.7225 8.0673 GPRESSAVG: 3106000 11.8924 24.6406 -12.0494 28.172 -40.7934 43.2729 -16.229 43.595 8.84712 TIMING: 3106000 CPU: 9016.39, 0.00288295/step Wall: 9016.39, 0.00288295/step, 1.51675 hours remaining, 207.945312 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: 3106000 733.5066 2069.1244 1953.5854 109.7144 -206422.6107 18027.2699 0.0000 0.0000 34068.5584 -149460.8515 297.5292 -183529.4099 -149355.4219 298.6920 99.2713 131.5107 558405.4290 -6.6972 -6.6846 PRESSURE: 3106200 -4.19293 80.4104 -61.8363 80.4105 57.2747 7.29621 -61.8361 7.29601 103.495 GPRESSURE: 3106200 47.2241 86.9176 -74.2637 80.4432 122.687 -6.24033 -61.6952 40.6752 84.7895 PRESSAVG: 3106200 -12.4586 5.32257 -50.592 5.32258 -47.8884 -0.39526 -50.5921 -0.395177 83.5337 GPRESSAVG: 3106200 -12.4393 8.04541 -52.4247 1.51486 -47.8946 0.775906 -46.9324 -0.685138 83.7743 TIMING: 3106200 CPU: 9016.97, 0.00288786/step Wall: 9016.97, 0.00288786/step, 1.51917 hours remaining, 207.945312 MB of memory in use. ENERGY: 3106200 700.8138 2071.3973 1953.8411 88.4774 -206521.3506 17917.2960 0.0000 0.0000 34491.6989 -149297.8262 301.2246 -183789.5252 -149194.6867 298.5040 52.1923 84.9003 557056.9001 7.7289 7.8135 PRESSURE: 3106400 -49.3923 181.466 -64.112 181.464 84.1887 -114.127 -64.1124 -114.125 184.106 GPRESSURE: 3106400 -51.0114 194.454 -66.8294 179.56 154.725 -203.58 20.6817 -112.204 212.444 PRESSAVG: 3106400 -30.8244 28.9063 26.2907 28.9064 -35.4983 -8.49626 26.2907 -8.49618 67.8413 GPRESSAVG: 3106400 -29.583 28.1511 28.2772 30.6604 -36.4286 -7.78429 24.5032 -9.23792 67.3659 TIMING: 3106400 CPU: 9017.55, 0.00290007/step Wall: 9017.55, 0.00290007/step, 1.52544 hours remaining, 207.945312 MB of memory in use. ENERGY: 3106400 728.9315 2058.7261 1932.8314 106.2797 -205894.5084 17659.0863 0.0000 0.0000 34194.9840 -149213.6694 298.6333 -183408.6534 -149114.4873 299.7819 72.9676 105.3860 556225.7367 0.5062 0.4514 PRESSURE: 3106600 -55.5529 153.993 48.1174 153.994 -320.743 41.7663 48.1178 41.7664 245.866 GPRESSURE: 3106600 8.01383 97.6984 0.869245 226.674 -291.983 9.31411 60.5288 46.9665 259.926 PRESSAVG: 3106600 -49.9413 7.17443 13.2827 7.17436 32.4835 -22.5872 13.2826 -22.5871 55.6858 GPRESSAVG: 3106600 -51.076 8.91924 12.1613 6.49415 33.2497 -24.1103 14.4263 -21.2721 55.9369 TIMING: 3106600 CPU: 9018.13, 0.00290273/step Wall: 9018.13, 0.00290273/step, 1.52668 hours remaining, 207.945312 MB of memory in use. ENERGY: 3106600 734.1593 2091.2915 1937.2163 126.5676 -205856.6057 17667.3968 0.0000 0.0000 34308.2209 -148991.7534 299.6222 -183299.9742 -148889.1376 300.2437 -43.4764 -8.0146 557668.9459 12.7426 12.7035 PRESSURE: 3106800 27.8133 191.246 57.1885 191.246 -282.941 -57.3711 57.1881 -57.3706 -87.6765 GPRESSURE: 3106800 52.0234 120.581 32.1377 174.275 -261.782 -144.376 60.5755 -65.3946 -40.0456 PRESSAVG: 3106800 -46.8025 57.8305 6.55007 57.8305 -44.743 -29.7297 6.55005 -29.7297 87.4799 GPRESSAVG: 3106800 -45.8484 56.8971 7.04626 60.1885 -46.0465 -30.4549 5.34888 -30.3393 87.8389 TIMING: 3106800 CPU: 9018.71, 0.00291265/step Wall: 9018.71, 0.00291265/step, 1.53173 hours remaining, 207.945312 MB of memory in use. ENERGY: 3106800 747.1800 2106.1147 1977.2768 116.2692 -205967.9049 17758.9916 0.0000 0.0000 34271.0046 -148991.0681 299.2972 -183262.0727 -148895.7800 300.1544 -114.2681 -83.2681 558208.4691 -1.3552 -1.3520 PRESSURE: 3107000 -120.566 -7.43772 -209.794 -7.43885 -276.284 -77.3562 -209.793 -77.3572 -178.166 GPRESSURE: 3107000 -63.2904 15.1745 -258.12 -44.201 -244.336 -29.37 -198.459 -53.0152 -164.929 PRESSAVG: 3107000 -1.60631 37.1484 -4.962 37.1484 -83.6407 -14.0056 -4.96182 -14.0056 23.0021 GPRESSAVG: 3107000 -1.05281 37.1351 -7.27137 34.0749 -82.69 -13.4943 -3.57188 -14.3157 21.904 TIMING: 3107000 CPU: 9019.29, 0.0029066/step Wall: 9019.29, 0.0029066/step, 1.52839 hours remaining, 208.054688 MB of memory in use. ENERGY: 3107000 720.6135 2033.8082 1990.7431 126.3005 -205936.1626 17596.5962 0.0000 0.0000 34338.0958 -149130.0053 299.8831 -183468.1012 -149034.7663 299.8043 -191.6721 -157.5185 557430.1597 -20.7483 -20.6129 PRESSURE: 3107200 48.3172 -100.731 -43.9624 -100.731 -95.3473 -15.407 -43.9621 -15.4078 -7.47687 GPRESSURE: 3107200 108.088 -100.492 -114.834 -117.511 -107.914 -53.3995 -95.6636 -51.9893 35.4647 PRESSAVG: 3107200 -21.7759 17.259 -5.53996 17.2589 2.87151 -16.4044 -5.53997 -16.4043 27.0383 GPRESSAVG: 3107200 -23.1211 18.3264 -4.65662 16.2974 2.99045 -17.5695 -6.70871 -15.7222 28.4077 TIMING: 3107200 CPU: 9019.87, 0.0029055/step Wall: 9019.87, 0.0029055/step, 1.52765 hours remaining, 208.054688 MB of memory in use. ENERGY: 3107200 731.2946 2148.4793 1948.8945 117.8386 -206174.7706 17770.7758 0.0000 0.0000 34261.6963 -149195.7915 299.2159 -183457.4878 -149099.7366 299.3760 -18.1690 11.8794 557188.6669 2.7113 2.7590 PRESSURE: 3107400 -90.84 129.479 26.6935 129.478 53.0817 -69.5079 26.693 -69.5086 -303.757 GPRESSURE: 3107400 -28.8647 54.9045 29.1439 166.198 88.4743 -45.2529 -23.2776 -101.661 -303.122 PRESSAVG: 3107400 25.4234 -9.94288 -21.4231 -9.94282 -42.716 -41.407 -21.4231 -41.4069 -13.7303 GPRESSAVG: 3107400 26.6034 -12.3114 -20.654 -6.58486 -42.903 -39.7785 -21.6769 -42.898 -14.215 TIMING: 3107400 CPU: 9020.46, 0.00292703/step Wall: 9020.46, 0.00292703/step, 1.53881 hours remaining, 208.054688 MB of memory in use. ENERGY: 3107400 753.4577 2111.5291 1936.4262 103.0736 -206082.5689 17787.7921 0.0000 0.0000 34298.2131 -149092.0771 299.5348 -183390.2902 -148997.3188 299.3989 -113.8385 -81.1710 559925.1834 -10.3410 -10.1715 PRESSURE: 3107600 -316.396 -6.33342 -23.6526 -6.33503 86.9195 7.23008 -23.6533 7.23069 24.9866 GPRESSURE: 3107600 -311.763 -13.7267 -26.7577 -41.8602 148.499 -6.60073 14.5686 29.2168 50.7203 PRESSAVG: 3107600 44.1719 -49.0292 5.41105 -49.0292 32.391 -20.7176 5.41105 -20.7175 -34.0452 GPRESSAVG: 3107600 44.0793 -49.8451 5.0468 -49.7232 34.1718 -22.4164 8.36918 -20.0035 -35.3372 TIMING: 3107600 CPU: 9021.05, 0.00294041/step Wall: 9021.05, 0.00294041/step, 1.54568 hours remaining, 208.054688 MB of memory in use. ENERGY: 3107600 717.2554 2140.6722 1928.6287 105.2286 -206202.2171 17815.6957 0.0000 0.0000 34348.2119 -149146.5246 299.9715 -183494.7365 -149049.5373 299.1957 -68.1635 -37.5145 559886.6604 14.1726 14.3046 PRESSURE: 3107800 -9.74689 -20.9225 -21.4953 -20.9229 105.423 82.7637 -21.4947 82.7638 -287.831 GPRESSURE: 3107800 -19.1169 -39.2989 20.9888 -98.1534 143.744 112.678 -5.29426 34.247 -229.917 PRESSAVG: 3107800 0.557685 16.9947 37.8867 16.9947 17.9558 -11.7892 37.8867 -11.7891 -11.6737 GPRESSAVG: 3107800 -0.325704 17.954 37.3765 16.9957 16.612 -10.6706 36.2083 -11.8303 -9.84926 TIMING: 3107800 CPU: 9021.63, 0.0029096/step Wall: 9021.63, 0.0029096/step, 1.52932 hours remaining, 208.054688 MB of memory in use. ENERGY: 3107800 711.0984 2118.2374 1953.3831 118.3790 -206135.9952 17779.8038 0.0000 0.0000 34242.9791 -149212.1145 299.0525 -183455.0936 -149123.8645 299.7119 -64.0515 -35.0966 559031.1966 2.2799 2.1457 PRESSURE: 3108000 -361.08 121.632 102.541 121.632 -176.974 -117.99 102.54 -117.99 39.8229 GPRESSURE: 3108000 -328.108 109.255 132.85 169.276 -156.768 -57.7837 146.793 -106.63 79.7908 PRESSAVG: 3108000 -25.5272 -55.1444 43.3216 -55.1444 43.9723 -11.0682 43.3215 -11.0682 -17.7072 GPRESSAVG: 3108000 -25.4766 -53.1673 44.7801 -56.1608 44.7302 -10.944 41.1659 -9.55483 -18.6701 TIMING: 3108000 CPU: 9022.21, 0.00292001/step Wall: 9022.21, 0.00292001/step, 1.53463 hours remaining, 208.054688 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: 3108000 776.4840 2036.2311 1957.0497 109.4628 -205709.2926 17569.5818 0.0000 0.0000 34214.9588 -149045.5244 298.8077 -183260.4832 -148942.5413 298.3723 -166.0772 -135.0284 559780.7234 0.2460 0.1945 PRESSURE: 3108200 -160.674 -96.5882 -96.4197 -96.5867 -44.7202 -62.8397 -96.4216 -62.8384 -336.741 GPRESSURE: 3108200 -133.998 -76.6612 -145.434 -100.796 -60.0758 -117.69 -42.3552 -58.19 -251.673 PRESSAVG: 3108200 14.2797 25.8013 43.8326 25.8013 10.631 -46.9934 43.8326 -46.9934 -0.50793 GPRESSAVG: 3108200 13.7701 23.7828 45.1437 25.8089 9.46183 -46.767 44.5581 -47.8495 0.867727 TIMING: 3108200 CPU: 9022.79, 0.00291286/step Wall: 9022.79, 0.00291286/step, 1.53071 hours remaining, 208.054688 MB of memory in use. ENERGY: 3108200 798.6096 2076.4718 1943.5991 133.3044 -205698.9670 17626.1642 0.0000 0.0000 34176.7346 -148944.0833 298.4739 -183120.8179 -148844.1262 299.3459 -180.7119 -148.5821 558610.8955 8.1343 8.0332 LDB: ============= START OF LOAD BALANCING ============== 9026.26 LDB: ============== END OF LOAD BALANCING =============== 9026.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9026.26 LDB: ============= START OF LOAD BALANCING ============== 9026.55 LDB: Largest compute 4821 load 0.029278 is 24.9% of average load 0.117805 LDB: Average compute 0.001707 is 1.4% of average load 0.117805 LDB: TIME 9026.56 LOAD: AVG 0.117805 MAX 0.178164 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 9026.56 LOAD: AVG 0.117805 MAX 0.178164 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: TIME 9026.56 LOAD: AVG 0.117805 MAX 0.178164 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.926 MB LDB: ============== END OF LOAD BALANCING =============== 9026.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9026.56 PRESSURE: 3108400 -267.643 73.498 58.2392 73.4971 -194.479 142.544 58.2407 142.543 -134.125 GPRESSURE: 3108400 -214.772 51.0522 58.3201 81.6984 -126.966 134.329 161.727 28.9578 -143.909 PRESSAVG: 3108400 28.4339 -47.8555 6.28039 -47.8555 -77.621 4.06849 6.28051 4.06838 6.11564 GPRESSAVG: 3108400 29.4137 -48.7299 3.45236 -47.4133 -76.9207 3.17384 9.18964 4.61977 4.92997 TIMING: 3108400 CPU: 9023.39, 0.00296359/step Wall: 9023.39, 0.00296359/step, 1.5572 hours remaining, 205.695312 MB of memory in use. ENERGY: 3108400 737.1245 2163.9418 1964.7840 122.0643 -205621.0594 17287.9523 0.0000 0.0000 34356.8547 -148988.3378 300.0470 -183345.1925 -148897.4832 299.2751 -198.7489 -161.8823 556598.0631 -14.3572 -14.1923 PRESSURE: 3108600 -5.09576 -95.1725 77.3257 -95.1722 -97.1797 -75.6417 77.3264 -75.6428 156.022 GPRESSURE: 3108600 39.3767 -140.412 73.5166 -42.9333 -82.6508 -87.2537 78.6222 -119.417 199.916 PRESSAVG: 3108600 9.92598 -7.82174 17.7492 -7.82184 29.4437 -13.048 17.7493 -13.048 -16.4194 GPRESSAVG: 3108600 9.36432 -8.07388 18.5529 -8.2696 30.4914 -11.3744 14.694 -14.281 -17.2486 TIMING: 3108600 CPU: 9023.97, 0.00291738/step Wall: 9023.97, 0.00291738/step, 1.53276 hours remaining, 205.695312 MB of memory in use. ENERGY: 3108600 734.4202 2070.0698 1942.1304 124.3849 -205979.6458 17710.1986 0.0000 0.0000 34335.0507 -149063.3913 299.8565 -183398.4420 -148968.5050 300.2220 17.9154 52.2140 556673.3925 7.6501 7.5357 PRESSURE: 3108800 -185.252 -159.03 38.4764 -159.03 -72.6454 -173.593 38.4776 -173.594 -11.3296 GPRESSURE: 3108800 -115.753 -157.101 40.4252 -80.9705 -62.3916 -183.947 -6.71848 -264.623 8.64582 PRESSAVG: 3108800 -38.2382 52.1939 -5.38227 52.1939 -18.7405 -46.2252 -5.38227 -46.2252 75.0155 GPRESSAVG: 3108800 -37.9925 53.8352 -4.99412 52.4635 -20.8318 -45.9369 -5.43382 -46.5472 77.0494 TIMING: 3108800 CPU: 9024.55, 0.00292251/step Wall: 9024.55, 0.00292251/step, 1.53529 hours remaining, 205.695312 MB of memory in use. ENERGY: 3108800 771.5305 2073.9647 1981.0841 127.6851 -205818.5975 17622.7805 0.0000 0.0000 34162.9960 -149078.5565 298.3539 -183241.5525 -148978.5603 299.3665 -89.7425 -56.4995 556745.5331 6.0123 6.0751 PRESSURE: 3109000 -89.0138 174.582 18.7769 174.582 -75.4674 50.1624 18.7768 50.1622 -256.681 GPRESSURE: 3109000 -88.5253 191.208 -2.73162 153.926 17.4965 81.0362 -19.5662 56.0573 -259.343 PRESSAVG: 3109000 27.9044 1.64161 37.91 1.6416 -60.021 -15.7991 37.9099 -15.7991 13.3129 GPRESSAVG: 3109000 27.5706 2.5814 37.3315 -1.10286 -59.3742 -15.7012 37.4679 -14.8589 12.6104 TIMING: 3109000 CPU: 9025.14, 0.00291621/step Wall: 9025.14, 0.00291621/step, 1.53182 hours remaining, 205.695312 MB of memory in use. ENERGY: 3109000 746.8876 2156.1416 1952.1709 95.9980 -206129.6804 17642.8943 0.0000 0.0000 34470.5455 -149065.0426 301.0398 -183535.5881 -148968.3008 298.7852 -140.3875 -110.1240 556526.4155 -6.2679 -6.3977 PRESSURE: 3109200 -177.48 56.4982 91.6741 56.4978 208.993 13.2204 91.6735 13.2203 52.099 GPRESSURE: 3109200 -144.525 58.3584 44.5652 37.2803 219.584 -10.2156 30.0081 -2.33923 100.136 PRESSAVG: 3109200 13.9364 -0.322421 -7.3532 -0.322356 -33.3189 -6.95183 -7.35319 -6.9518 26.0329 GPRESSAVG: 3109200 13.0994 0.96311 -5.93628 0.1446 -32.3451 -8.81963 -8.9569 -7.47466 25.4421 TIMING: 3109200 CPU: 9025.72, 0.00291228/step Wall: 9025.72, 0.00291228/step, 1.52959 hours remaining, 205.695312 MB of memory in use. ENERGY: 3109200 760.7497 2157.7864 1953.1806 118.6947 -206287.4749 17811.9564 0.0000 0.0000 34398.8820 -149086.2251 300.4140 -183485.1071 -148989.4805 299.7137 27.8706 58.3986 557026.0973 2.2168 2.0655 PRESSURE: 3109400 -59.5687 -177.74 38.4005 -177.74 102.204 -218.833 38.4016 -218.833 -148.74 GPRESSURE: 3109400 4.42939 -229.226 88.6934 -129.298 79.7278 -229.335 52.2432 -312.762 -99.4447 PRESSAVG: 3109400 -53.8042 32.6058 4.45512 32.6057 45.6832 -14.3016 4.4552 -14.3016 26.9022 GPRESSAVG: 3109400 -53.4499 29.7541 2.31336 35.0324 44.9787 -13.7449 7.68056 -14.8726 27.3161 TIMING: 3109400 CPU: 9026.3, 0.00288851/step Wall: 9026.3, 0.00288851/step, 1.51695 hours remaining, 205.695312 MB of memory in use. ENERGY: 3109400 774.2742 2062.9124 1976.6874 119.1308 -205975.4310 17696.1152 0.0000 0.0000 34230.6149 -149115.6961 298.9445 -183346.3110 -149025.9548 299.4999 -35.3679 -5.0959 559004.0686 6.2604 6.2816 PRESSURE: 3109600 185.234 90.8888 -158.154 90.8885 -102.167 -141.394 -158.154 -141.393 -60.4461 GPRESSURE: 3109600 216.155 104.106 -93.8953 159.125 -121.317 -109.45 -192.389 -154.689 26.0522 PRESSAVG: 3109600 21.3396 -7.39084 -52.9663 -7.39084 -57.9245 -19.4889 -52.9663 -19.4889 67.8934 GPRESSAVG: 3109600 22.299 -8.67862 -53.5078 -7.1973 -57.8763 -19.3293 -54.9332 -20.3086 67.01 TIMING: 3109600 CPU: 9026.87, 0.00288272/step Wall: 9026.87, 0.00288272/step, 1.51375 hours remaining, 205.695312 MB of memory in use. ENERGY: 3109600 732.4553 2121.0106 1955.3102 115.8734 -205912.0449 17769.7795 0.0000 0.0000 34253.9578 -148963.6580 299.1483 -183217.6158 -148870.5864 300.2898 7.5403 40.2965 558001.7519 10.4362 10.4776 PRESSURE: 3109800 333.675 33.3393 -62.7997 33.3398 160.675 -121.381 -62.8006 -121.382 121.196 GPRESSURE: 3109800 364.828 0.226215 -85.0772 71.375 267.542 -98.1938 -69.3648 -188.339 87.7914 PRESSAVG: 3109800 -21.3315 -43.8824 -18.647 -43.8824 3.5013 -53.5604 -18.6471 -53.5605 24.1655 GPRESSAVG: 3109800 -21.8832 -41.5045 -17.8212 -46.9187 3.34304 -53.0836 -17.7796 -52.9813 24.868 TIMING: 3109800 CPU: 9027.46, 0.00290883/step Wall: 9027.46, 0.00290883/step, 1.5273 hours remaining, 206.000000 MB of memory in use. ENERGY: 3109800 701.5977 2140.3144 1950.5690 106.7314 -206037.7690 18025.0637 0.0000 0.0000 34026.2739 -149087.2188 297.1599 -183113.4927 -148991.6891 299.3146 205.1819 240.0540 557529.3181 2.1118 2.1093 PRESSURE: 3110000 -169.035 -28.4017 19.4494 -28.4014 -157.661 14.4488 19.4502 14.4488 -18.4419 GPRESSURE: 3110000 -110.197 -34.38 37.432 56.3546 -124.616 93.089 -1.00395 -34.8604 -12.4439 PRESSAVG: 3110000 -31.281 -5.57481 57.2787 -5.57486 25.4875 -52.5075 57.2787 -52.5075 -45.0818 GPRESSAVG: 3110000 -30.8865 -7.13469 57.3633 -2.78056 24.2608 -53.7827 56.9134 -50.0251 -44.2051 TIMING: 3110000 CPU: 9028.03, 0.00288343/step Wall: 9028.03, 0.00288344/step, 1.5138 hours remaining, 206.000000 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: 3110000 725.7182 2107.9328 1981.5535 119.1455 -206214.2388 17872.7189 0.0000 0.0000 34006.3065 -149400.8634 296.9855 -183407.1699 -149304.8382 299.4026 -115.0459 -82.4187 558389.8666 -16.9585 -16.9436 PRESSURE: 3110200 -218.394 42.8411 -78.9793 42.8395 -35.6545 -43.9941 -78.9794 -43.9935 -158.069 GPRESSURE: 3110200 -160.484 47.1278 -94.5004 2.57088 43.6017 23.9348 -109.279 -43.0137 -185.373 PRESSAVG: 3110200 14.008 -35.5047 -5.44451 -35.5047 -19.4829 -9.00948 -5.44444 -9.00951 16.246 GPRESSAVG: 3110200 14.149 -35.4037 -6.65907 -35.8112 -19.5081 -9.43833 -3.77924 -9.54097 16.3196 TIMING: 3110200 CPU: 9028.61, 0.0029075/step Wall: 9028.61, 0.0029075/step, 1.52627 hours remaining, 206.000000 MB of memory in use. ENERGY: 3110200 720.1166 2081.1092 1978.2902 110.2481 -206313.0605 17843.8622 0.0000 0.0000 34263.8509 -149315.5833 299.2347 -183579.4342 -149217.8792 298.6953 -137.3726 -100.7516 557959.7129 3.5903 3.6535 PRESSURE: 3110400 -328.814 -86.1655 66.9406 -86.1638 -255.244 -38.7235 66.9403 -38.7251 -44.512 GPRESSURE: 3110400 -278.758 -23.9969 88.7051 -117.88 -237.218 -43.8423 -26.0685 27.0626 -25.0711 PRESSAVG: 3110400 -29.5988 19.6196 -35.4282 19.6196 -23.0314 -13.6427 -35.4284 -13.6426 40.7412 GPRESSAVG: 3110400 -29.4385 20.4043 -36.3036 18.0365 -22.5966 -13.8737 -35.7204 -13.6017 39.8497 TIMING: 3110400 CPU: 9029.2, 0.0029197/step Wall: 9029.2, 0.0029197/step, 1.53252 hours remaining, 206.000000 MB of memory in use. ENERGY: 3110400 786.9337 2061.7431 1961.3723 119.7389 -206001.7835 17584.1321 0.0000 0.0000 33973.3019 -149514.5614 296.6973 -183487.8634 -149427.8830 298.0920 -209.5237 -180.3489 557816.8696 -3.9630 -4.0618 PRESSURE: 3110600 2.32168 -222.578 167.91 -222.577 -308.225 13.9409 167.909 13.9426 -70.463 GPRESSURE: 3110600 63.2862 -296.917 186.117 -163.215 -271.126 98.8636 183.997 48.3473 -67.4604 PRESSAVG: 3110600 -31.7764 15.523 2.11991 15.5231 -59.8069 -21.5039 2.11992 -21.504 66.8779 GPRESSAVG: 3110600 -31.5259 14.1493 3.54599 16.0626 -60.4351 -19.7747 0.051818 -22.0496 67.6078 TIMING: 3110600 CPU: 9029.78, 0.00291139/step Wall: 9029.78, 0.00291139/step, 1.52799 hours remaining, 206.203125 MB of memory in use. ENERGY: 3110600 765.8511 2035.1189 1943.6310 110.1769 -206716.3604 17990.3832 0.0000 0.0000 34173.9848 -149697.2145 298.4499 -183871.1993 -149601.4353 297.9569 -125.4553 -91.7666 557577.3612 -8.2352 -8.1177 PRESSURE: 3110800 -39.8266 24.1116 -79.2289 24.1122 -150.211 -74.5989 -79.2286 -74.5972 -28.4773 GPRESSURE: 3110800 -57.493 -10.2788 -85.9939 84.7744 -39.7092 -4.6432 -110.809 -148.332 -21.1728 PRESSAVG: 3110800 -25.0388 -25.4274 17.1966 -25.4273 -54.2582 -26.2703 17.1966 -26.2702 92.6376 GPRESSAVG: 3110800 -24.7975 -23.232 17.0832 -25.4811 -54.2959 -26.4638 18.2386 -27.3684 92.153 TIMING: 3110800 CPU: 9030.36, 0.00291709/step Wall: 9030.36, 0.00291709/step, 1.53082 hours remaining, 206.203125 MB of memory in use. ENERGY: 3110800 754.5646 2092.8863 1963.2342 108.5908 -206905.0463 18102.4191 0.0000 0.0000 34108.0786 -149775.2726 297.8743 -183883.3512 -149688.6083 297.9705 -72.8383 -39.4583 557952.2340 4.4469 4.3532 PRESSURE: 3111000 -27.4211 -2.07274 -4.22415 -2.0721 -92.7585 -259.816 -4.22318 -259.815 84.3427 GPRESSURE: 3111000 16.9007 -2.26551 71.0558 -61.0679 -92.4496 -281.575 8.23976 -203.191 129.124 PRESSAVG: 3111000 -30.0725 14.027 6.83443 14.027 -4.41344 -40.2685 6.83453 -40.2685 6.79995 GPRESSAVG: 3111000 -30.2791 13.2061 7.49853 13.6729 -4.37527 -42.9618 7.2546 -39.1642 6.71393 TIMING: 3111000 CPU: 9030.95, 0.00290852/step Wall: 9030.95, 0.00290852/step, 1.52616 hours remaining, 206.203125 MB of memory in use. ENERGY: 3111000 727.2758 2053.1702 1935.9022 127.1841 -206466.7042 18016.2897 0.0000 0.0000 33845.5739 -149761.3082 295.5818 -183606.8821 -149669.3247 297.5776 -11.9456 17.8583 557854.1189 -9.2287 -9.3135 PRESSURE: 3111200 -84.5039 40.1992 -127.212 40.1983 96.834 24.7418 -127.212 24.7409 231.971 GPRESSURE: 3111200 -20.8662 137.451 -163.615 -1.65903 105.539 5.19373 -154.947 13.198 241.239 PRESSAVG: 3111200 18.7343 -43.6502 9.97006 -43.6502 -51.6066 18.9504 9.96998 18.9504 58.1214 GPRESSAVG: 3111200 18.421 -42.2076 7.47608 -42.3838 -51.3842 19.9175 9.85182 17.8767 58.0042 TIMING: 3111200 CPU: 9031.53, 0.00291936/step Wall: 9031.53, 0.00291936/step, 1.53169 hours remaining, 206.203125 MB of memory in use. ENERGY: 3111200 721.6111 2090.0666 1935.0876 112.7948 -206695.6622 17921.3012 0.0000 0.0000 34312.2902 -149602.5108 299.6578 -183914.8010 -149502.4199 297.9432 81.4338 108.6373 555393.2850 8.4163 8.3470 PRESSURE: 3111400 -6.58121 -147.595 110.774 -147.594 -259.693 -139.509 110.772 -139.509 -437.143 GPRESSURE: 3111400 13.3541 -145.325 101.353 -100.806 -239.52 -130.955 130.087 -108.144 -382.029 PRESSAVG: 3111400 22.4293 -41.2799 6.16578 -41.28 6.60189 0.403877 6.16573 0.403725 -64.6448 GPRESSAVG: 3111400 21.6739 -42.139 7.48089 -41.8013 6.71926 -0.330081 6.06507 2.46424 -64.2101 TIMING: 3111400 CPU: 9032.11, 0.0029142/step Wall: 9032.11, 0.0029142/step, 1.52882 hours remaining, 206.203125 MB of memory in use. ENERGY: 3111400 722.7161 2133.8479 1970.3037 107.1484 -206250.0856 17520.6531 0.0000 0.0000 34172.0243 -149623.3921 298.4328 -183795.4164 -149527.3621 298.9049 -234.4727 -202.7316 557264.4773 -11.8712 -11.9390 PRESSURE: 3111600 -311.823 -45.3899 147.854 -45.3894 171.183 46.3846 147.854 46.3839 -283.077 GPRESSURE: 3111600 -236.835 60.785 123.928 -52.2647 170.866 32.265 151.564 41.1394 -259.403 PRESSAVG: 3111600 -41.0241 -103.895 -14.1637 -103.895 77.1358 6.21513 -14.1637 6.21503 -17.4237 GPRESSAVG: 3111600 -41.101 -104.458 -16.0161 -103.604 77.4221 9.0806 -14.4189 3.19204 -17.2273 TIMING: 3111600 CPU: 9032.7, 0.00291927/step Wall: 9032.7, 0.00291927/step, 1.53132 hours remaining, 206.203125 MB of memory in use. ENERGY: 3111600 703.3027 2109.4174 1944.3786 118.1169 -206288.5599 17642.8485 0.0000 0.0000 34168.3845 -149602.1114 298.4010 -183770.4959 -149508.5475 298.5066 -141.2391 -108.4576 557639.4223 6.2293 6.3646 PRESSURE: 3111800 79.2014 35.5454 115.893 35.5449 13.2906 -39.349 115.894 -39.3495 -47.9245 GPRESSURE: 3111800 64.2457 11.6823 44.0424 8.2155 50.6546 -28.2509 117.556 -3.19938 29.003 PRESSAVG: 3111800 30.3299 -31.2381 -8.45825 -31.2381 -12.974 -92.7914 -8.45818 -92.7914 -20.7314 GPRESSAVG: 3111800 31.765 -31.0818 -4.74249 -32.6219 -12.784 -92.6368 -9.44995 -91.1044 -21.6119 TIMING: 3111800 CPU: 9033.28, 0.00293547/step Wall: 9033.28, 0.00293547/step, 1.53965 hours remaining, 206.203125 MB of memory in use. ENERGY: 3111800 739.1975 2141.6613 1959.8452 111.2997 -206237.9307 17737.5351 0.0000 0.0000 34007.4072 -149540.9848 296.9951 -183548.3920 -149444.6000 297.5618 14.8559 47.9678 557275.8086 -1.1251 -0.8770 PRESSURE: 3112000 126.977 -37.8877 -58.4868 -37.8873 93.2407 -55.9007 -58.4869 -55.9006 201.823 GPRESSURE: 3112000 234.087 -24.0918 -13.9675 11.702 47.4906 -80.3438 -32.4504 -23.5669 235.752 PRESSAVG: 3112000 -50.5581 -25.9068 -39.4442 -25.9067 80.9074 1.83019 -39.4442 1.83019 -33.7135 GPRESSAVG: 3112000 -51.6135 -24.131 -40.6305 -26.0736 80.4759 0.813562 -38.1737 1.19509 -32.2734 TIMING: 3112000 CPU: 9033.87, 0.00294358/step Wall: 9033.87, 0.00294358/step, 1.54374 hours remaining, 206.203125 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: 3112000 768.1521 2117.1344 1970.0523 117.0585 -206870.4195 18268.5712 0.0000 0.0000 34213.0162 -149416.4348 298.7908 -183629.4510 -149327.9855 298.5517 140.6803 172.4433 555632.6558 -1.1214 -1.1370 PRESSURE: 3112200 224.304 91.7549 23.4546 91.7551 3.50995 35.7829 23.4545 35.7825 -349.143 GPRESSURE: 3112200 263.686 49.9793 59.5403 19.2116 41.3234 93.9793 49.5969 -45.6383 -329.712 PRESSAVG: 3112200 0.90066 25.3747 3.15889 25.3747 -11.3352 -37.886 3.15891 -37.886 2.3332 GPRESSAVG: 3112200 0.6134 24.5183 3.42513 27.4386 -10.6419 -38.8655 2.07875 -38.8604 1.82752 TIMING: 3112200 CPU: 9034.46, 0.0029284/step Wall: 9034.46, 0.0029284/step, 1.53562 hours remaining, 206.203125 MB of memory in use. ENERGY: 3112200 717.4800 2144.2233 1958.3320 108.9269 -206541.9948 17848.3190 0.0000 0.0000 34370.7742 -149393.9393 300.1685 -183764.7135 -149299.5882 299.2303 -40.4429 -8.2341 555427.1618 -2.7004 -2.7336 LDB: ============= START OF LOAD BALANCING ============== 9037.93 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9037.93 LDB: =============== DONE WITH MIGRATION ================ 9037.93 LDB: ============= START OF LOAD BALANCING ============== 9038.22 LDB: Largest compute 4821 load 0.028470 is 24.2% of average load 0.117752 LDB: Average compute 0.001707 is 1.4% of average load 0.117752 LDB: TIME 9038.22 LOAD: AVG 0.117752 MAX 0.180929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.793 MB LDB: TIME 9038.22 LOAD: AVG 0.117752 MAX 0.180929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: TIME 9038.22 LOAD: AVG 0.117752 MAX 0.180929 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9038.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9038.23 PRESSURE: 3112400 136.014 -82.4309 42.2515 -82.4299 -93.851 44.091 42.252 44.0924 86.379 GPRESSURE: 3112400 151.792 -111.763 150.653 -155.672 -91.085 -66.4006 -45.4876 39.6571 157.918 PRESSAVG: 3112400 43.4012 -39.6618 -11.1938 -39.6618 -3.4334 -10.6613 -11.1937 -10.6612 -37.5239 GPRESSAVG: 3112400 42.7487 -38.9064 -9.88687 -41.5705 -3.60535 -9.84607 -10.0311 -9.33433 -36.2672 TIMING: 3112400 CPU: 9035.05, 0.00298183/step Wall: 9035.05, 0.00298183/step, 1.56348 hours remaining, 205.632812 MB of memory in use. ENERGY: 3112400 744.4658 2143.6114 1944.6287 114.8771 -206203.0416 17834.4972 0.0000 0.0000 34179.8263 -149241.1351 298.5009 -183420.9614 -149140.8670 299.4879 42.8473 72.8749 557654.8339 0.8146 0.9587 PRESSURE: 3112600 -143.231 -68.186 -163.152 -68.1882 -251 -211.635 -163.152 -211.634 -81.8369 GPRESSURE: 3112600 -94.8309 -76.2415 -249.336 -89.5748 -208.019 -193.077 -133.448 -212.275 -71.9012 PRESSAVG: 3112600 34.1958 -31.1185 -67.6475 -31.1184 -28.0846 -44.052 -67.6475 -44.0519 -24.6231 GPRESSAVG: 3112600 35.1818 -28.7717 -70.9661 -31.122 -27.5368 -47.211 -66.1603 -43.7244 -25.752 TIMING: 3112600 CPU: 9035.64, 0.00290938/step Wall: 9035.64, 0.00290938/step, 1.52532 hours remaining, 205.875000 MB of memory in use. ENERGY: 3112600 745.5867 2096.7879 1953.0951 112.4113 -206264.1185 17703.5757 0.0000 0.0000 34315.3757 -149337.2861 299.6847 -183652.6618 -149250.3639 299.3930 -158.6895 -124.9172 557016.8343 -6.1706 -6.0357 PRESSURE: 3112800 -68.3254 96.6165 10.6137 96.6165 24.7059 -163.388 10.6143 -163.388 -20.6933 GPRESSURE: 3112800 -9.36162 78.147 92.4069 68.8209 74.6884 -112.657 -34.3032 -154.734 -38.7831 PRESSAVG: 3112800 37.7353 0.562259 -32.2493 0.562273 -6.13111 -6.76704 -32.2494 -6.76704 6.76987 GPRESSAVG: 3112800 38.7474 -3.41856 -32.8379 2.98179 -6.49898 -5.48881 -34.4723 -7.3633 6.89217 TIMING: 3112800 CPU: 9036.23, 0.00294733/step Wall: 9036.23, 0.00294733/step, 1.54505 hours remaining, 206.136719 MB of memory in use. ENERGY: 3112800 740.4413 2111.4663 1939.4043 106.3023 -206002.7233 17843.3413 0.0000 0.0000 33911.2507 -149350.5170 296.1554 -183261.7677 -149250.9461 298.6234 -21.4376 8.8479 559063.9174 12.7914 13.0469 PRESSURE: 3113000 68.6151 183.477 -21.737 183.477 82.166 42.2948 -21.7377 42.2945 -40.8076 GPRESSURE: 3113000 83.7609 157.998 55.4021 239.588 73.9796 9.50184 -46.1838 -54.5115 46.9161 PRESSAVG: 3113000 -42.9195 59.5677 8.13803 59.5676 -13.5232 -32.9295 8.13799 -32.9294 49.7026 GPRESSAVG: 3113000 -43.8857 60.1336 10.5895 57.7526 -12.9363 -31.7889 8.77219 -33.8884 50.2093 TIMING: 3113000 CPU: 9036.81, 0.00293053/step Wall: 9036.81, 0.00293053/step, 1.53609 hours remaining, 206.136719 MB of memory in use. ENERGY: 3113000 769.7828 2119.9101 1928.4078 98.3683 -206505.9333 18025.2415 0.0000 0.0000 34320.6855 -149243.5374 299.7311 -183564.2228 -149143.2922 298.5202 36.6578 68.2189 556978.5597 -2.2467 -2.2042 PRESSURE: 3113200 126.174 -76.5381 -18.3987 -76.5387 -2.26951 -166.086 -18.3981 -166.087 162.792 GPRESSURE: 3113200 153.33 -29.0473 -146.034 -102.864 44.777 -180.107 97.0949 -130.333 191.481 PRESSAVG: 3113200 4.9093 -15.1321 -3.47015 -15.1321 -0.845919 -56.008 -3.47013 -56.008 -6.78955 GPRESSAVG: 3113200 5.38081 -14.4262 -5.78925 -15.7907 -1.86881 -55.6035 -3.11843 -54.236 -7.04721 TIMING: 3113200 CPU: 9037.4, 0.00295548/step Wall: 9037.4, 0.00295548/step, 1.549 hours remaining, 206.136719 MB of memory in use. ENERGY: 3113200 748.8340 2120.9862 1947.6823 107.8497 -206514.4712 18087.0037 0.0000 0.0000 34240.5140 -149261.6015 299.0309 -183502.1155 -149159.2774 299.2646 95.5653 129.8626 557644.5585 -0.9087 -1.1784 PRESSURE: 3113400 -46.8094 219.593 37.6584 219.591 -84.7214 -77.5898 37.6589 -77.5909 -45.3003 GPRESSURE: 3113400 -44.9928 230.234 41.2436 196.778 -9.02642 -11.8798 37.8307 -129.243 -27.1014 PRESSAVG: 3113400 -68.4025 -5.23063 8.22738 -5.23066 29.8055 -36.0369 8.22736 -36.037 40.5996 GPRESSAVG: 3113400 -69.1678 -5.05185 9.50998 -3.67814 30.7499 -37.7602 7.36197 -35.0984 40.2571 TIMING: 3113400 CPU: 9037.99, 0.00294744/step Wall: 9037.99, 0.00294744/step, 1.54462 hours remaining, 206.136719 MB of memory in use. ENERGY: 3113400 827.9054 2109.8441 1931.7379 116.6479 -206462.2005 17957.4172 0.0000 0.0000 34275.2066 -149243.4413 299.3339 -183518.6478 -149145.0136 299.6533 -58.9437 -27.0402 556687.9757 0.6675 0.6131 PRESSURE: 3113600 -91.574 71.4866 -5.8897 71.4864 -258.133 85.7885 -5.89099 85.7908 -191.275 GPRESSURE: 3113600 -2.13311 99.1246 -78.3335 95.2542 -234.052 5.01748 22.5692 43.9319 -209.685 PRESSAVG: 3113600 -21.2728 -17.1267 2.38773 -17.1267 62.7693 -9.87291 2.38774 -9.87286 -38.8733 GPRESSAVG: 3113600 -20.6408 -17.1872 2.99283 -17.0163 61.6409 -7.45845 2.16628 -12.4682 -38.9276 TIMING: 3113600 CPU: 9038.57, 0.00291323/step Wall: 9038.57, 0.00291323/step, 1.52653 hours remaining, 206.136719 MB of memory in use. ENERGY: 3113600 790.0222 2067.3566 1981.9634 120.4569 -206289.6556 17622.1068 0.0000 0.0000 34398.3074 -149309.4422 300.4090 -183707.7496 -149209.4574 299.1244 -180.3273 -148.6235 558804.0942 0.8744 0.6908 PRESSURE: 3113800 -104.014 -21.6475 -41.1122 -21.6481 -41.2029 -80.2015 -41.1122 -80.201 -28.3216 GPRESSURE: 3113800 -81.8859 -28.3287 -53.646 25.3943 -20.6431 -24.9596 8.11156 -140.37 29.211 PRESSAVG: 3113800 -50.4398 2.33794 -55.4041 2.33798 60.2474 9.15238 -55.4042 9.15234 -27.095 GPRESSAVG: 3113800 -50.7203 0.337288 -55.2815 1.79866 60.9622 8.00015 -54.5872 11.0173 -27.2709 TIMING: 3113800 CPU: 9039.16, 0.00291037/step Wall: 9039.16, 0.00291037/step, 1.52487 hours remaining, 206.136719 MB of memory in use. ENERGY: 3113800 758.2667 2157.9255 1934.5477 133.9861 -205867.7014 17650.1518 0.0000 0.0000 34067.5234 -149165.3003 297.5202 -183232.8237 -149067.9045 299.3322 -57.8461 -24.4393 558521.1310 -5.7625 -5.6763 PRESSURE: 3114000 58.7749 -39.5801 -35.3583 -39.5792 25.5955 -69.7465 -35.3579 -69.7477 -51.282 GPRESSURE: 3114000 49.8157 -22.2094 -7.21735 -113.669 118.566 -31.4445 26.5656 -13.6798 -44.6255 PRESSAVG: 3114000 6.56286 -3.61994 -26.3952 -3.6199 -22.9759 19.0436 -26.3953 19.0436 30.6136 GPRESSAVG: 3114000 6.62036 -1.25899 -25.6203 -3.89464 -23.007 18.6098 -27.4642 17.5027 29.9629 TIMING: 3114000 CPU: 9039.75, 0.00294469/step Wall: 9039.75, 0.00294469/step, 1.54269 hours remaining, 206.136719 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: 3114000 756.7293 2185.1337 1946.9922 127.3407 -206329.3556 17875.8193 0.0000 0.0000 34189.9182 -149247.4222 298.5891 -183437.3404 -149160.7565 299.8081 11.0294 41.2521 557223.4397 4.7335 4.5254 PRESSURE: 3114200 -69.1617 -20.9125 -54.0472 -20.9121 -14.3348 71.4828 -54.0471 71.4849 117.291 GPRESSURE: 3114200 -32.1344 0.363899 -70.2094 28.8096 91.7882 -46.0925 -29.4117 138.316 58.2051 PRESSAVG: 3114200 -13.0534 4.92965 -20.4923 4.92974 -17.512 1.59245 -20.4922 1.59239 47.2264 GPRESSAVG: 3114200 -13.9061 4.29749 -19.5454 5.32508 -18.0247 -0.523936 -19.9248 2.47471 48.6943 TIMING: 3114200 CPU: 9040.33, 0.00292231/step Wall: 9040.33, 0.00292231/step, 1.5308 hours remaining, 206.136719 MB of memory in use. ENERGY: 3114200 751.0458 2098.7623 1976.3197 114.2133 -206441.2700 17823.8449 0.0000 0.0000 34083.4958 -149593.5882 297.6596 -183677.0840 -149496.6339 298.5668 11.2650 39.2863 555051.3175 5.5537 5.5878 PRESSURE: 3114400 -176.561 -9.45529 -94.6576 -9.45663 -121.18 -234.953 -94.6564 -234.954 -256.396 GPRESSURE: 3114400 -111.905 -124.074 -107.086 85.4271 -108.305 -194.493 -56.946 -286.345 -240.205 PRESSAVG: 3114400 -69.0495 32.5842 21.1859 32.5841 97.6143 -14.5662 21.186 -14.5662 -2.40124 GPRESSAVG: 3114400 -68.196 32.6904 18.5761 32.2662 97.9731 -12.2779 23.3475 -15.4311 -3.59556 TIMING: 3114400 CPU: 9040.91, 0.00290384/step Wall: 9040.91, 0.00290384/step, 1.52097 hours remaining, 206.136719 MB of memory in use. ENERGY: 3114400 746.3201 2123.8165 1956.4337 112.1821 -206085.1195 17620.3191 0.0000 0.0000 33984.7774 -149541.2706 296.7975 -183526.0480 -149441.4631 297.9142 -184.7124 -153.4718 558291.9505 8.7212 8.7272 PRESSURE: 3114600 -343.525 32.1658 1.69832 32.1661 -152.539 132.151 1.69896 132.151 -355.393 GPRESSURE: 3114600 -278.641 40.7343 4.34797 -50.1894 -181.588 181.661 -30.6153 59.6394 -287.561 PRESSAVG: 3114600 -12.9189 35.1907 -10.8199 35.1907 4.30797 -15.3637 -10.8199 -15.3637 -9.46808 GPRESSAVG: 3114600 -13.3365 34.5765 -10.1273 34.2005 4.08546 -17.6898 -13.0392 -12.6445 -9.00448 TIMING: 3114600 CPU: 9041.49, 0.00291827/step Wall: 9041.49, 0.00291827/step, 1.52836 hours remaining, 206.136719 MB of memory in use. ENERGY: 3114600 755.3792 2106.4601 1965.7302 114.6524 -205829.3809 17324.7528 0.0000 0.0000 34202.0130 -149360.3932 298.6947 -183562.4061 -149270.5616 298.6914 -283.8193 -249.2632 556973.9268 -6.0263 -6.0852 PRESSURE: 3114800 -116.986 -30.4881 24.71 -30.4883 -3.27961 31.4386 24.7113 31.4403 -117.151 GPRESSURE: 3114800 -51.7638 -18.1194 -15.8635 23.9825 55.7562 -2.14471 13.0316 18.5809 -139.836 PRESSAVG: 3114800 -41.9549 -21.1097 96.2885 -21.1097 59.3498 -14.1395 96.2886 -14.1394 -13.5142 GPRESSAVG: 3114800 -42.7544 -22.8254 95.8965 -19.3312 58.5428 -14.6378 95.8999 -16.4207 -12.5464 TIMING: 3114800 CPU: 9042.08, 0.00290993/step Wall: 9042.08, 0.00290993/step, 1.52384 hours remaining, 206.136719 MB of memory in use. ENERGY: 3114800 723.3395 2156.0096 1970.1267 119.4172 -206281.3927 17718.1756 0.0000 0.0000 34225.0889 -149369.2352 298.8962 -183594.3241 -149272.9482 299.2810 -79.1388 -45.2813 556806.9726 1.2936 1.0807 PRESSURE: 3115000 134.246 98.5384 -73.9986 98.5386 132.814 -12.7126 -73.997 -12.712 57.9742 GPRESSURE: 3115000 180.336 85.6375 -125.075 51.3115 104.314 -80.6014 99.2451 -16.9355 135.711 PRESSAVG: 3115000 -7.07594 70.0021 23.9703 70.0021 17.8948 22.8392 23.9704 22.8391 -42.2043 GPRESSAVG: 3115000 -6.73968 71.7516 23.1266 69.3006 18.2595 25.3366 27.0418 24.2458 -43.2563 TIMING: 3115000 CPU: 9042.66, 0.00290444/step Wall: 9042.66, 0.00290444/step, 1.5208 hours remaining, 206.136719 MB of memory in use. ENERGY: 3115000 766.6629 2141.4084 1963.6311 111.3748 -206410.9112 17847.9078 0.0000 0.0000 34254.3208 -149325.6054 299.1515 -183579.9262 -149231.0911 298.8962 108.3447 140.1203 555079.8109 -10.4618 -10.5788 PRESSURE: 3115200 -165.833 113.329 5.33684 113.331 -76.4486 -104.706 5.33728 -104.706 38.6093 GPRESSURE: 3115200 -184.009 118.809 -63.6477 199.418 4.77085 -151.476 66.0174 -102.17 80.3594 PRESSAVG: 3115200 -48.8201 -35.5723 -10.7441 -35.5722 -65.733 -39.3104 -10.7441 -39.3105 61.4381 GPRESSAVG: 3115200 -49.0823 -34.9363 -9.80248 -36.1268 -64.6286 -40.9992 -13.3981 -40.0151 60.4404 TIMING: 3115200 CPU: 9043.24, 0.00290415/step Wall: 9043.24, 0.00290415/step, 1.52049 hours remaining, 206.136719 MB of memory in use. ENERGY: 3115200 731.6036 2114.0776 1969.4221 116.9982 -205880.3274 17483.6046 0.0000 0.0000 34264.1085 -149200.5128 299.2370 -183464.6213 -149096.0268 299.6776 -67.8908 -32.9597 555609.6713 -17.7050 -17.7568 PRESSURE: 3115400 42.673 45.6713 -92.7378 45.6714 88.285 98.3449 -92.7386 98.3441 -105.818 GPRESSURE: 3115400 108.751 109.094 -105.339 3.65685 125.126 110.667 -130.622 195.311 -92.2549 PRESSAVG: 3115400 -22.1913 -11.0427 -5.00921 -11.0428 20.1068 -24.4609 -5.00918 -24.461 -29.7924 GPRESSAVG: 3115400 -22.3753 -11.1118 -6.51441 -10.9778 18.5207 -22.5583 -2.87158 -23.127 -28.4926 TIMING: 3115400 CPU: 9043.82, 0.00291372/step Wall: 9043.82, 0.00291372/step, 1.52533 hours remaining, 206.136719 MB of memory in use. ENERGY: 3115400 746.0724 2113.0210 1956.4067 130.2363 -206318.0949 17877.2193 0.0000 0.0000 34214.3193 -149280.8199 298.8022 -183495.1392 -149185.8655 299.9002 8.3799 47.2074 556545.9580 -10.6256 -10.7824 PRESSURE: 3115600 -186.562 88.3225 -60.4705 88.322 124.11 -40.121 -60.4704 -40.1209 -42.3713 GPRESSURE: 3115600 -78.5908 71.0453 -18.6501 116.115 131.886 -120.942 -108.823 -55.2144 -67.1657 PRESSAVG: 3115600 63.7 53.463 0.555246 53.463 25.5397 46.9733 0.555244 46.9733 -54.0889 GPRESSAVG: 3115600 64.938 52.2732 1.67071 53.1422 26.3141 46.1785 0.657681 45.8971 -55.659 TIMING: 3115600 CPU: 9044.41, 0.00292257/step Wall: 9044.41, 0.00292257/step, 1.5298 hours remaining, 206.136719 MB of memory in use. ENERGY: 3115600 731.6809 2051.4459 1997.0643 111.6310 -206496.8512 17759.1013 0.0000 0.0000 34424.9868 -149420.9409 300.6420 -183845.9278 -149323.3716 299.3870 -34.9409 -4.6234 555646.9827 11.7169 11.8644 PRESSURE: 3115800 -12.8434 -30.79 66.2998 -30.7898 23.5886 18.2916 66.2993 18.2919 147.298 GPRESSURE: 3115800 -3.24166 -93.7548 -8.61449 2.87827 113.412 10.9704 68.4372 11.4895 146.198 PRESSAVG: 3115800 -26.1534 -0.00498894 12.556 -0.00501134 18.238 35.0048 12.556 35.0047 -3.73927 GPRESSAVG: 3115800 -27.6457 -0.282354 13.4877 0.739511 19.0068 34.1842 11.1122 35.0971 -2.79974 TIMING: 3115800 CPU: 9044.99, 0.00292025/step Wall: 9044.99, 0.00292025/step, 1.52843 hours remaining, 206.136719 MB of memory in use. ENERGY: 3115800 732.4836 2113.8904 1956.5997 118.3962 -206622.8327 17948.6439 0.0000 0.0000 34315.3022 -149437.5165 299.6841 -183752.8187 -149337.3627 299.4704 52.6810 85.4561 556892.9247 -3.8849 -3.8129 PRESSURE: 3116000 -86.4809 71.2165 -54.1379 71.2155 -50.3822 24.1091 -54.1379 24.1099 -63.4239 GPRESSURE: 3116000 -88.6899 4.0163 -89.278 112.471 15.6069 -38.6608 -94.0849 97.5527 -38.2431 PRESSAVG: 3116000 -57.8735 -4.78431 11.7305 -4.78444 30.999 -8.83708 11.7305 -8.83696 -19.8138 GPRESSAVG: 3116000 -57.5108 -2.90911 10.7346 -5.83578 30.8533 -6.61205 11.4967 -10.4198 -20.1927 TIMING: 3116000 CPU: 9045.58, 0.00293124/step Wall: 9045.58, 0.00293124/step, 1.53401 hours remaining, 206.136719 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: 3116000 762.0940 2087.2277 1952.9929 115.6556 -206375.7765 17858.3801 0.0000 0.0000 34084.4121 -149515.0141 297.6676 -183599.4262 -149420.3529 298.6920 -66.7623 -37.1087 557410.0180 -15.5627 -15.6167 PRESSURE: 3116200 53.6679 -51.3604 -0.286332 -51.3609 90.7928 -28.5504 -0.285359 -28.5503 192.43 GPRESSURE: 3116200 72.0627 8.93382 -90.1487 -27.9239 157.118 -7.92475 30.7456 -4.92311 201.613 PRESSAVG: 3116200 -0.53661 6.94009 4.23651 6.9402 23.4695 51.7116 4.23648 51.7117 19.072 GPRESSAVG: 3116200 -0.383927 5.82077 3.60733 7.72559 22.4596 50.6595 4.81941 52.0028 20.3244 TIMING: 3116200 CPU: 9046.16, 0.00291318/step Wall: 9046.16, 0.00291318/step, 1.5244 hours remaining, 206.136719 MB of memory in use. ENERGY: 3116200 732.1417 2079.2988 1935.0110 122.3112 -206551.4781 18009.4028 0.0000 0.0000 34358.7110 -149314.6016 300.0632 -183673.3125 -149223.4364 298.7978 112.2969 143.5978 556673.8541 14.0016 14.1334 LDB: ============= START OF LOAD BALANCING ============== 9049.63 LDB: ============== END OF LOAD BALANCING =============== 9049.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9049.63 LDB: ============= START OF LOAD BALANCING ============== 9049.93 LDB: Largest compute 4848 load 0.029097 is 24.7% of average load 0.117813 LDB: Average compute 0.001706 is 1.4% of average load 0.117813 LDB: TIME 9049.93 LOAD: AVG 0.117813 MAX 0.17669 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.371 MB LDB: TIME 9049.93 LOAD: AVG 0.117813 MAX 0.17669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: TIME 9049.93 LOAD: AVG 0.117813 MAX 0.17669 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.418 MB LDB: ============== END OF LOAD BALANCING =============== 9049.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9049.94 PRESSURE: 3116400 44.6737 69.8024 -79.6596 69.8019 -136.811 6.01458 -79.659 6.01581 -30.7669 GPRESSURE: 3116400 81.3849 20.1443 -115.192 128.422 -77.1817 -66.9178 -58.3858 23.8895 -24.9738 PRESSAVG: 3116400 19.9391 22.876 35.7018 22.8759 19.0174 -10.5464 35.7018 -10.5463 -30.632 GPRESSAVG: 3116400 20.2875 22.3944 36.6063 24.3303 18.8988 -8.91411 34.445 -10.3431 -31.0273 TIMING: 3116400 CPU: 9046.76, 0.00300512/step Wall: 9046.76, 0.00300512/step, 1.57235 hours remaining, 206.890625 MB of memory in use. ENERGY: 3116400 746.7996 2148.8961 1954.4623 112.8472 -206538.8937 17767.5714 0.0000 0.0000 34437.1317 -149371.1855 300.7480 -183808.3171 -149272.5214 298.9335 -40.9680 -6.9235 556982.2089 2.7748 2.7197 PRESSURE: 3116600 112.572 94.0218 -87.6956 94.0214 175.639 -52.0739 -87.6953 -52.0734 -443.698 GPRESSURE: 3116600 127.436 103.861 -141.913 100.376 201.904 30.6488 -104.03 -76.7308 -390.335 PRESSAVG: 3116600 -0.0296158 4.72652 -67.4682 4.72655 -9.22718 -36.1996 -67.4682 -36.1994 35.701 GPRESSAVG: 3116600 0.387529 7.30702 -69.1878 4.3879 -9.5311 -36.3266 -66.557 -36.3178 35.6221 TIMING: 3116600 CPU: 9047.34, 0.00292431/step Wall: 9047.34, 0.00292431/step, 1.5299 hours remaining, 206.960938 MB of memory in use. ENERGY: 3116600 761.8168 2092.4442 1974.7292 120.6137 -206531.2426 17915.9149 0.0000 0.0000 34233.3506 -149432.3730 298.9684 -183665.7236 -149336.5385 299.3043 -51.8288 -20.3318 556483.3330 8.8147 8.8262 PRESSURE: 3116800 -91.9646 187.828 -78.2213 187.829 -289.67 141.83 -78.2203 141.828 -49.9838 GPRESSURE: 3116800 -84.2332 216.347 -73.0153 99.3837 -215.354 62.6449 -43.2095 139.163 -35.4355 PRESSAVG: 3116800 48.7316 -2.07292 -80.7182 -2.0729 2.51886 22.2662 -80.7183 22.2662 -37.8792 GPRESSAVG: 3116800 46.655 -4.17925 -78.2881 -4.50705 3.85243 18.8604 -79.9455 24.7789 -37.984 TIMING: 3116800 CPU: 9047.93, 0.00291142/step Wall: 9047.93, 0.00291142/step, 1.523 hours remaining, 206.960938 MB of memory in use. ENERGY: 3116800 757.3792 2054.0280 1953.4986 117.4017 -205994.7167 17626.7852 0.0000 0.0000 34044.9115 -149440.7125 297.3227 -183485.6240 -149339.4519 298.5348 -143.8728 -111.6742 557169.5449 4.4571 4.1745 PRESSURE: 3117000 66.7946 55.9716 -180.091 55.972 -40.5589 -7.97662 -180.092 -7.9778 -75.1507 GPRESSURE: 3117000 95.5436 0.13329 -183.635 74.0116 -21.9992 -98.7492 -240.971 27.1384 -29.9502 PRESSAVG: 3117000 7.72651 -25.4222 6.79292 -25.4222 -12.7095 58.6479 6.79283 58.6479 28.5173 GPRESSAVG: 3117000 9.04513 -24.8377 4.06859 -23.9732 -13.1014 61.0775 5.61084 57.3851 27.6982 TIMING: 3117000 CPU: 9048.51, 0.00292027/step Wall: 9048.51, 0.00292027/step, 1.52746 hours remaining, 206.960938 MB of memory in use. ENERGY: 3117000 726.3003 2153.7761 1989.8063 124.0250 -206213.6933 17712.5080 0.0000 0.0000 34062.8438 -149444.4338 297.4793 -183507.2776 -149355.7653 298.0970 -16.3050 14.5314 556005.6530 7.8448 7.8806 PRESSURE: 3117200 305.07 -185.661 14.9746 -185.661 19.6417 86.0093 14.9743 86.0079 34.4479 GPRESSURE: 3117200 328.858 -133.519 157.118 -209.311 64.9427 112.97 14.2766 122.94 52.7369 PRESSAVG: 3117200 21.3707 37.0897 23.2573 37.0897 -61.4286 -2.95014 23.2572 -2.95026 2.8955 GPRESSAVG: 3117200 21.9612 36.6718 24.0295 36.5128 -61.28 -2.45864 24.982 -2.59866 2.51246 TIMING: 3117200 CPU: 9049.1, 0.00293144/step Wall: 9049.1, 0.00293144/step, 1.53314 hours remaining, 206.960938 MB of memory in use. ENERGY: 3117200 708.8772 2094.9218 1953.8085 113.3970 -206557.6783 18026.7714 0.0000 0.0000 34428.8576 -149231.0449 300.6758 -183659.9025 -149127.4773 298.9738 119.7198 148.8457 557521.4475 -12.3875 -12.2688 PRESSURE: 3117400 84.8777 -157.661 32.2399 -157.661 284.714 -19.9136 32.2397 -19.9149 -30.6258 GPRESSURE: 3117400 94.7068 -140.007 -31.3831 -202.842 311.391 -53.2828 42.732 95.0084 15.3135 PRESSAVG: 3117400 -34.932 -31.5979 53.4562 -31.5979 30.1248 0.319219 53.4561 0.319171 -7.45273 GPRESSAVG: 3117400 -34.8526 -32.184 53.6261 -30.9942 30.0089 -2.0094 51.925 2.07538 -7.12171 TIMING: 3117400 CPU: 9049.68, 0.00291867/step Wall: 9049.68, 0.00291867/step, 1.5263 hours remaining, 207.058594 MB of memory in use. ENERGY: 3117400 746.5485 2126.7456 1949.1258 105.4372 -206848.8026 18217.1699 0.0000 0.0000 34462.1199 -149241.6557 300.9663 -183703.7756 -149145.7042 299.4964 112.9888 140.4705 557221.0534 -4.0866 -3.9885 PRESSURE: 3117600 135.54 79.9453 -112.845 79.9451 53.469 114.949 -112.845 114.949 -18.83 GPRESSURE: 3117600 140.981 59.7923 -57.5276 78.3455 88.7148 208.565 -168.169 88.2759 45.4368 PRESSAVG: 3117600 -16.5943 14.7994 13.7016 14.7994 14.964 -31.7414 13.7015 -31.7413 7.0672 GPRESSAVG: 3117600 -16.996 13.6425 12.7507 15.7678 15.8556 -29.3741 13.462 -31.5679 7.23742 TIMING: 3117600 CPU: 9050.26, 0.00288108/step Wall: 9050.26, 0.00288108/step, 1.50648 hours remaining, 207.058594 MB of memory in use. ENERGY: 3117600 779.5785 2127.3281 1921.4565 104.9828 -206373.4754 17973.7330 0.0000 0.0000 34282.2931 -149184.1033 299.3958 -183466.3965 -149095.5585 299.1311 56.7264 91.7108 557975.5553 1.8123 2.0324 PRESSURE: 3117800 176.829 60.8261 -66.0091 60.826 -169.645 106.188 -66.0088 106.188 264.255 GPRESSURE: 3117800 182.614 176.809 -81.1909 -89.3143 -57.0904 58.9972 41.0555 82.7172 225.668 PRESSAVG: 3117800 31.7738 16.9685 5.08281 16.9685 36.703 34.6905 5.08287 34.6905 -60.3026 GPRESSAVG: 3117800 31.5593 19.7288 5.11211 14.5878 36.0579 32.8016 6.71734 33.8897 -60.0816 TIMING: 3117800 CPU: 9050.84, 0.00289733/step Wall: 9050.84, 0.00289733/step, 1.51482 hours remaining, 207.058594 MB of memory in use. ENERGY: 3117800 780.4536 2170.6170 1935.8470 112.1995 -206181.5992 17976.2772 0.0000 0.0000 34009.7664 -149196.4385 297.0157 -183206.2049 -149108.6791 299.1937 90.4795 117.0640 556977.6893 2.7248 2.5118 PRESSURE: 3118000 -66.4513 161.462 -134.598 161.462 61.7825 -71.683 -134.599 -71.6813 124.863 GPRESSURE: 3118000 -38.8922 179.819 -84.6509 120.426 102.799 -74.6158 -126.734 -3.94387 164.211 PRESSAVG: 3118000 -28.758 38.168 -35.2636 38.168 12.4531 -41.514 -35.2635 -41.514 25.3308 GPRESSAVG: 3118000 -28.9746 36.6156 -34.2596 38.3432 12.2968 -39.7146 -35.148 -41.551 25.5323 TIMING: 3118000 CPU: 9051.42, 0.00291292/step Wall: 9051.42, 0.00291292/step, 1.52281 hours remaining, 207.058594 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: 3118000 777.5624 2162.8127 1953.9046 120.7035 -206422.6655 17965.4707 0.0000 0.0000 34390.3077 -149051.9039 300.3391 -183442.2116 -148956.6238 299.4701 40.0648 76.0391 556986.0283 3.0086 2.9515 PRESSURE: 3118200 -116.793 -55.3256 37.3915 -55.3247 -53.9131 -23.5263 37.3911 -23.5276 346.811 GPRESSURE: 3118200 -77.9732 -38.8693 -50.9034 32.0855 -33.2615 -97.1607 75.0705 -28.7376 390.435 PRESSAVG: 3118200 -26.855 15.4319 5.96328 15.4319 -2.08814 -66.6225 5.96334 -66.6225 28.9735 GPRESSAVG: 3118200 -26.1976 16.3002 6.00389 16.2599 -1.63983 -67.5035 6.19373 -67.438 28.3733 TIMING: 3118200 CPU: 9052, 0.00291343/step Wall: 9052, 0.00291343/step, 1.52291 hours remaining, 207.058594 MB of memory in use. ENERGY: 3118200 748.3644 2211.3126 1944.7600 119.6851 -206382.6872 17934.0295 0.0000 0.0000 34437.5082 -148987.0274 300.7513 -183424.5355 -148901.0156 299.3864 58.7014 93.0666 558125.3268 0.0101 0.1786 PRESSURE: 3118400 79.0554 3.74981 -28.1727 3.75023 30.4193 102.602 -28.1726 102.6 134.876 GPRESSURE: 3118400 141.634 77.4415 -6.4659 -67.5557 81.958 149.083 -106.046 85.2842 121.528 PRESSAVG: 3118400 -3.19573 -21.6261 -18.6876 -21.6261 -89.0036 -9.19263 -18.6876 -9.19266 34.9248 GPRESSAVG: 3118400 -2.49446 -21.1384 -18.8551 -22.0386 -89.9971 -8.3677 -19.4835 -9.11161 35.6435 TIMING: 3118400 CPU: 9052.59, 0.0029349/step Wall: 9052.59, 0.0029349/step, 1.53397 hours remaining, 207.058594 MB of memory in use. ENERGY: 3118400 743.1313 2072.5400 1975.9878 113.9744 -206362.1244 18031.3407 0.0000 0.0000 34311.0408 -149114.1094 299.6469 -183425.1503 -149020.4451 300.4226 81.4503 115.0400 556867.6239 -19.0915 -18.9493 PRESSURE: 3118600 -145.288 -26.3261 -53.0318 -26.3258 -32.6792 10.8387 -53.0324 10.839 -107.743 GPRESSURE: 3118600 -36.0183 41.235 -139.9 -111.235 -58.3059 117.972 9.15399 -13.631 -80.5181 PRESSAVG: 3118600 -10.9483 29.6263 -8.50132 29.6264 -10.8599 -64.7107 -8.50119 -64.7107 19.3038 GPRESSAVG: 3118600 -12.5559 26.4527 -7.39378 31.4156 -10.1416 -65.4057 -9.63441 -63.3973 19.7475 TIMING: 3118600 CPU: 9053.17, 0.00289294/step Wall: 9053.17, 0.00289294/step, 1.51188 hours remaining, 207.058594 MB of memory in use. ENERGY: 3118600 763.6745 2130.9380 1956.4682 110.1917 -206213.2709 17860.3647 0.0000 0.0000 34190.7907 -149200.8431 298.5967 -183391.6338 -149101.9616 300.1379 -95.2366 -58.2807 559175.8543 -0.8348 -0.9833 PRESSURE: 3118800 -198.925 -5.21072 73.0882 -5.21047 28.4487 42.8319 73.0883 42.8315 -80.6847 GPRESSURE: 3118800 -142.787 -65.4346 90.3513 26.5981 12.0451 76.9088 85.3692 29.635 -11.9395 PRESSAVG: 3118800 13.7324 3.13926 6.78438 3.13932 -21.5106 -47.9706 6.78441 -47.9707 -49.1504 GPRESSAVG: 3118800 14.3707 4.51102 7.22175 0.372232 -21.5894 -46.3379 6.53881 -50.2206 -49.562 TIMING: 3118800 CPU: 9053.75, 0.00291934/step Wall: 9053.75, 0.00291934/step, 1.52552 hours remaining, 207.058594 MB of memory in use. ENERGY: 3118800 782.9064 2144.3394 1946.8604 110.5503 -206570.8917 17937.6337 0.0000 0.0000 34499.1323 -149149.4692 301.2895 -183648.6015 -149052.9679 299.9009 -83.7202 -47.5605 558273.9828 -18.9762 -18.9269 PRESSURE: 3119000 -48.0068 73.9849 -47.1277 73.9856 253.047 -120.408 -47.1292 -120.407 133.955 GPRESSURE: 3119000 9.986 133.533 -105.572 74.3562 274.875 -127.898 -6.87326 -83.1592 154.012 PRESSAVG: 3119000 7.54822 70.8535 -58.4387 70.8536 -20.2166 -51.6027 -58.4387 -51.6028 -12.9948 GPRESSAVG: 3119000 7.14795 70.6449 -61.9125 72.4091 -20.7921 -53.5708 -55.2922 -50.5085 -12.6321 TIMING: 3119000 CPU: 9054.33, 0.00291376/step Wall: 9054.33, 0.00291376/step, 1.52244 hours remaining, 207.058594 MB of memory in use. ENERGY: 3119000 723.0793 2090.8585 1937.2893 110.2886 -206280.0259 17876.8044 0.0000 0.0000 34416.1653 -149125.5404 300.5649 -183541.7057 -149022.9043 299.6863 112.9984 146.2910 556412.9451 -8.5544 -8.7588 PRESSURE: 3119200 -47.2682 161.46 -58.8096 161.461 -53.9261 5.73205 -58.8106 5.73244 -66.5853 GPRESSURE: 3119200 14.9594 192.291 -20.7929 123.112 -15.9413 -13.6821 -83.0774 -29.2894 -73.4096 PRESSAVG: 3119200 1.44855 74.6075 10.699 74.6075 55.94 -21.1633 10.699 -21.1632 5.99571 GPRESSAVG: 3119200 1.34972 74.4913 11.5543 73.5722 56.9216 -20.5392 10.5668 -20.8601 5.62318 TIMING: 3119200 CPU: 9054.92, 0.00291772/step Wall: 9054.92, 0.00291772/step, 1.52434 hours remaining, 207.058594 MB of memory in use. ENERGY: 3119200 747.3572 2131.6475 1942.5492 110.6033 -206690.7639 18118.9980 0.0000 0.0000 34316.4611 -149323.1475 299.6942 -183639.6087 -149223.4077 299.4031 -55.9265 -24.7972 558059.0099 21.1281 21.2982 PRESSURE: 3119400 -5.73863 -116.333 -71.6475 -116.332 -38.7848 65.8554 -71.6481 65.8567 188.091 GPRESSURE: 3119400 99.0297 -51.5792 -7.94478 -171.93 -22.9192 115.686 -93.8439 17.4165 169.725 PRESSAVG: 3119400 28.1637 -4.98252 -9.58885 -4.98259 -68.1479 -41.7074 -9.58881 -41.7074 -4.79707 GPRESSAVG: 3119400 29.5897 -8.27406 -9.23405 -2.84471 -69.0401 -42.2467 -10.5736 -39.2226 -5.12097 TIMING: 3119400 CPU: 9055.5, 0.00291938/step Wall: 9055.5, 0.00291938/step, 1.52505 hours remaining, 207.058594 MB of memory in use. ENERGY: 3119400 769.1709 2097.4105 1970.2568 104.6061 -206491.9634 17966.1034 0.0000 0.0000 34160.4645 -149423.9513 298.3318 -183584.4158 -149330.8073 298.8864 47.8558 81.9452 557495.4313 -14.9271 -14.8571 PRESSURE: 3119600 30.2289 7.16547 -101.234 7.167 -129.908 120.308 -101.233 120.309 16.7401 GPRESSURE: 3119600 65.6443 73.5365 -25.2121 8.94381 -92.8753 170.209 -115.523 73.4686 54.3876 PRESSAVG: 3119600 8.60362 -30.5189 -10.9521 -30.5188 -50.6836 12.6159 -10.9521 12.6158 26.4337 GPRESSAVG: 3119600 8.05308 -26.3972 -9.31418 -32.0952 -49.9156 12.2825 -12.5713 9.08009 26.7469 TIMING: 3119600 CPU: 9056.09, 0.0029192/step Wall: 9056.09, 0.0029192/step, 1.5248 hours remaining, 207.058594 MB of memory in use. ENERGY: 3119600 756.4478 2107.5520 1980.2689 115.1027 -206332.9710 17859.8984 0.0000 0.0000 34128.5317 -149385.1695 298.0530 -183513.7012 -149293.5141 297.8686 -27.6463 9.0522 557841.9475 -5.2154 -5.0385 PRESSURE: 3119800 -261.822 -161.503 76.8553 -161.504 -152.116 17.587 76.856 17.5859 -135.384 GPRESSURE: 3119800 -224.214 -159.415 10.5665 -125.793 -120.163 24.3262 172.45 -6.7629 -98.8705 PRESSAVG: 3119800 24.5205 -0.466812 -39.04 -0.466882 15.8587 16.7473 -39.04 16.7472 -73.4963 GPRESSAVG: 3119800 24.7037 -0.83524 -40.3491 0.404907 14.241 18.9148 -36.6936 15.0287 -72.8042 TIMING: 3119800 CPU: 9056.67, 0.00292087/step Wall: 9056.67, 0.00292087/step, 1.5255 hours remaining, 207.058594 MB of memory in use. ENERGY: 3119800 770.7386 2101.4050 1930.1021 112.2758 -206437.3633 17797.9407 0.0000 0.0000 34266.2341 -149458.6670 299.2555 -183724.9010 -149356.1497 298.5550 -183.1076 -147.7492 559220.9436 -11.0390 -11.2865 PRESSURE: 3120000 -6.99986 75.1162 121.705 75.117 -134.518 63.7293 121.705 63.7299 -188.452 GPRESSURE: 3120000 38.0449 -30.6471 121.495 75.2879 -140.095 51.5173 14.3167 86.8023 -149.842 PRESSAVG: 3120000 -21.8055 -7.13428 21.3381 -7.13425 17.1158 -11.1774 21.3381 -11.1775 4.72261 GPRESSAVG: 3120000 -22.7338 -6.64625 22.4531 -8.37587 17.5097 -13.6339 21.544 -8.27785 5.21132 TIMING: 3120000 CPU: 9057.26, 0.00293221/step Wall: 9057.26, 0.00293221/step, 1.53126 hours remaining, 207.058594 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: 3120000 723.4399 2100.8608 1962.5601 115.8864 -206033.1631 17640.7942 0.0000 0.0000 34176.7605 -149312.8612 298.4741 -183489.6217 -149216.9932 298.5361 -109.9902 -83.9641 557469.3620 0.0110 -0.0042 PRESSURE: 3120200 -6.70518 38.3606 -74.7944 38.3616 -149.53 -49.9949 -74.7936 -49.9944 15.3301 GPRESSURE: 3120200 -26.687 79.3931 -3.31295 36.2166 -97.7233 1.99539 -99.9713 -41.7107 82.132 PRESSAVG: 3120200 28.9748 -6.60246 21.614 -6.60245 -51.915 4.526 21.6141 4.52592 68.4888 GPRESSAVG: 3120200 29.7707 -7.41373 21.5939 -6.49162 -51.5089 5.32491 19.4376 3.13245 68.0257 TIMING: 3120200 CPU: 9057.84, 0.0029397/step Wall: 9057.84, 0.0029397/step, 1.53501 hours remaining, 207.058594 MB of memory in use. ENERGY: 3120200 757.6998 2060.5957 1961.5635 100.3176 -206000.4876 17631.5227 0.0000 0.0000 34135.4106 -149353.3777 298.1130 -183488.7883 -149256.7012 297.7750 -46.9683 -14.0928 556529.0528 15.1829 15.4292 LDB: ============= START OF LOAD BALANCING ============== 9061.31 LDB: ============== END OF LOAD BALANCING =============== 9061.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9061.31 LDB: ============= START OF LOAD BALANCING ============== 9061.6 LDB: Largest compute 4848 load 0.029276 is 24.9% of average load 0.117776 LDB: Average compute 0.001707 is 1.4% of average load 0.117776 LDB: TIME 9061.6 LOAD: AVG 0.117776 MAX 0.178052 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.121 MB LDB: TIME 9061.61 LOAD: AVG 0.117776 MAX 0.178052 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.125 MB LDB: TIME 9061.61 LOAD: AVG 0.117776 MAX 0.178052 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.125 MB LDB: ============== END OF LOAD BALANCING =============== 9061.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9061.61 PRESSURE: 3120400 -47.7637 72.2243 -104.594 72.2243 17.2941 64.3247 -104.594 64.3238 48.9473 GPRESSURE: 3120400 -17.5758 121.897 -79.2518 55.5347 5.77736 56.7724 -187.596 11.7759 121.754 PRESSAVG: 3120400 -34.0982 -19.1607 43.7307 -19.1608 -32.8054 -31.0167 43.7308 -31.0166 35.6902 GPRESSAVG: 3120400 -35.3926 -16.6461 43.8113 -20.0314 -32.7915 -30.8271 44.6317 -30.7555 36.346 TIMING: 3120400 CPU: 9058.44, 0.00295926/step Wall: 9058.44, 0.00295926/step, 1.54506 hours remaining, 206.335938 MB of memory in use. ENERGY: 3120400 703.3707 2112.3919 1973.8340 113.8041 -206237.3512 17855.1970 0.0000 0.0000 34074.4905 -149404.2631 297.5810 -183478.7536 -149306.7709 298.2216 6.1592 36.6519 558968.0490 -10.4045 -10.6127 PRESSURE: 3120600 -90.2814 -181.747 -196.845 -181.746 -290.908 -51.3326 -196.846 -51.3328 144.918 GPRESSURE: 3120600 -84.7739 -140.697 -198.238 -221.061 -287.654 -84.8018 -204.551 -70.8186 224.08 PRESSAVG: 3120600 -8.27538 -39.7852 -28.7708 -39.7852 -33.0985 -38.5057 -28.7708 -38.5057 67.5716 GPRESSAVG: 3120600 -6.86034 -42.6336 -29.2048 -40.2752 -33.0758 -40.1159 -27.6196 -39.1243 66.3293 TIMING: 3120600 CPU: 9059.02, 0.00290603/step Wall: 9059.02, 0.00290603/step, 1.51711 hours remaining, 206.460938 MB of memory in use. ENERGY: 3120600 772.4064 2068.4342 1981.1362 115.3294 -206340.3531 17771.9445 0.0000 0.0000 34334.1449 -149296.9576 299.8486 -183631.1025 -149210.1238 298.7484 -78.7571 -49.4493 557831.3270 8.7326 8.7977 PRESSURE: 3120800 -167.061 -223.042 -215.885 -223.042 -4.12147 -70.4146 -215.885 -70.4147 169.77 GPRESSURE: 3120800 -106.071 -172.021 -133.976 -220.597 48.8862 -27.0053 -172.296 -70.926 153.94 PRESSAVG: 3120800 20.9222 -24.3045 -36.128 -24.3046 -1.22452 -30.4221 -36.1279 -30.422 16.2957 GPRESSAVG: 3120800 21.0994 -23.3737 -36.8434 -22.1712 -1.15455 -29.4677 -36.0854 -28.3415 15.8891 TIMING: 3120800 CPU: 9059.6, 0.0028933/step Wall: 9059.6, 0.0028933/step, 1.51031 hours remaining, 206.460938 MB of memory in use. ENERGY: 3120800 717.0485 2080.1365 1994.0371 101.4886 -206008.9102 17796.1808 0.0000 0.0000 34260.4555 -149059.5632 299.2051 -183320.0187 -148964.0430 299.3105 -0.4710 32.2519 558327.9160 11.9978 11.9446 PRESSURE: 3121000 159.695 -96.6449 29.2168 -96.6451 139.435 76.0076 29.218 76.0075 -37.4399 GPRESSURE: 3121000 144.208 -72.3439 100.033 -83.503 168.406 73.9846 10.0057 95.2811 47.6918 PRESSAVG: 3121000 9.58275 -62.7856 -57.1201 -62.7856 -30.8004 -25.3285 -57.12 -25.3286 -26.9974 GPRESSAVG: 3121000 7.56304 -62.3722 -55.1987 -64.3791 -30.4653 -25.3557 -56.9271 -26.8923 -24.8072 TIMING: 3121000 CPU: 9060.18, 0.00291318/step Wall: 9060.18, 0.00291318/step, 1.52052 hours remaining, 206.460938 MB of memory in use. ENERGY: 3121000 774.4812 2085.3467 1969.3136 110.6847 -206632.5348 18130.1092 0.0000 0.0000 34149.9812 -149412.6182 298.2403 -183562.5994 -149318.1945 298.6877 87.2298 120.1021 557937.0854 -16.0717 -15.9032 PRESSURE: 3121200 -86.6678 -91.8994 72.0231 -91.9007 -253.314 73.9231 72.0248 73.925 -85.0238 GPRESSURE: 3121200 -141.945 -97.5263 2.14334 -79.0458 -123.328 147.823 139.682 80.3037 -52.9931 PRESSAVG: 3121200 63.3571 2.15938 32.4214 2.15948 -14.0694 14.0538 32.4214 14.0538 -18.3803 GPRESSAVG: 3121200 64.8695 2.54187 31.6279 2.97303 -13.5249 13.5455 33.6148 14.9209 -20.3714 TIMING: 3121200 CPU: 9060.76, 0.00289228/step Wall: 9060.76, 0.00289228/step, 1.50945 hours remaining, 206.460938 MB of memory in use. ENERGY: 3121200 767.8435 2095.7900 1968.6980 116.4220 -206289.9921 17751.2304 0.0000 0.0000 34186.7133 -149403.2947 298.5611 -183590.0080 -149315.8873 298.5038 -141.6686 -106.0885 557284.9051 10.3025 10.3244 PRESSURE: 3121400 -124.895 -31.5284 86.3758 -31.5289 -185.115 -120.174 86.3759 -120.173 -50.9202 GPRESSURE: 3121400 -108.083 -44.0295 14.0061 -115.674 -145.535 -83.3075 144.252 -86.8098 -19.3434 PRESSAVG: 3121400 28.3077 18.2888 -11.3606 18.2888 -61.7461 -13.4258 -11.3606 -13.4258 41.9292 GPRESSAVG: 3121400 28.0122 17.9808 -12.4666 17.9065 -62.038 -11.6117 -12.9004 -11.7242 42.2279 TIMING: 3121400 CPU: 9061.34, 0.0029037/step Wall: 9061.34, 0.0029037/step, 1.51525 hours remaining, 206.597656 MB of memory in use. ENERGY: 3121400 771.4434 2117.0398 1968.5236 104.9025 -206528.1697 17877.7404 0.0000 0.0000 34152.2149 -149536.3052 298.2598 -183688.5201 -149437.0545 298.4136 -120.3100 -90.9870 558254.6472 2.8303 2.7340 PRESSURE: 3121600 -81.3006 50.6482 27.9917 50.6473 -2.12886 71.6001 27.9922 71.6007 -138.118 GPRESSURE: 3121600 -71.7158 39.4975 -46.4669 -44.8016 55.64 93.4706 38.0843 87.4198 -115.909 PRESSAVG: 3121600 35.0994 27.8376 5.35975 27.8376 -53.2072 -40.7395 5.35979 -40.7395 28.9793 GPRESSAVG: 3121600 35.2999 29.2346 4.96902 26.2153 -53.9833 -42.6197 5.28606 -42.6838 29.2401 TIMING: 3121600 CPU: 9061.91, 0.0028846/step Wall: 9061.91, 0.0028846/step, 1.50512 hours remaining, 206.597656 MB of memory in use. ENERGY: 3121600 796.6953 2090.0609 1957.0919 115.1141 -206552.4217 17885.9908 0.0000 0.0000 34186.0785 -149521.3902 298.5555 -183707.4687 -149421.9459 298.8102 -73.8493 -43.9948 557875.8550 3.6238 3.5189 PRESSURE: 3121800 -66.5496 -55.5077 29.0056 -55.5072 128.824 -96.344 29.0046 -96.3432 86.7182 GPRESSURE: 3121800 -48.5907 -64.1248 -5.5477 -2.83362 162.156 -72.4017 63.6463 -127.572 133.898 PRESSAVG: 3121800 -1.48856 6.64625 33.2938 6.64629 60.8679 -5.66524 33.2938 -5.66522 -53.142 GPRESSAVG: 3121800 -2.02128 4.07917 33.7465 10.6033 61.1108 -5.01552 33.925 -4.32755 -52.7383 TIMING: 3121800 CPU: 9062.49, 0.0028721/step Wall: 9062.49, 0.0028721/step, 1.49844 hours remaining, 206.597656 MB of memory in use. ENERGY: 3121800 748.9655 2049.6618 1979.1666 119.6355 -206438.8355 17910.6275 0.0000 0.0000 34270.7583 -149360.0204 299.2951 -183630.7786 -149268.6620 298.8530 49.6642 82.4876 556800.3977 2.0791 2.1171 PRESSURE: 3122000 -89.7916 127.011 11.8529 127.012 -18.4242 -53.8239 11.853 -53.8242 91.0042 GPRESSURE: 3122000 -7.66172 160.466 6.20442 135.545 -28.0829 -135.152 22.7584 17.45 109.777 PRESSAVG: 3122000 57.9896 31.811 -26.8968 31.8109 -19.0167 4.66933 -26.8967 4.66934 -66.2218 GPRESSAVG: 3122000 59.1588 31.8472 -27.1242 30.5929 -18.7948 4.35212 -27.6904 5.27305 -67.341 TIMING: 3122000 CPU: 9063.07, 0.00289783/step Wall: 9063.07, 0.00289783/step, 1.5117 hours remaining, 206.597656 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: 3122000 789.9101 2122.7293 1975.3016 110.2427 -206381.6312 17961.7290 0.0000 0.0000 34146.4141 -149275.3042 298.2091 -183421.7183 -149189.9371 299.3699 -5.7372 24.6773 556684.3344 -9.0829 -8.9923 PRESSURE: 3122200 57.2497 159.831 117.077 159.831 -56.1879 -76.5637 117.078 -76.5643 -118.129 GPRESSURE: 3122200 80.3513 175.326 185.281 172.96 -20.5492 0.226188 175.906 -173.127 -91.3176 PRESSAVG: 3122200 84.9337 48.0226 67.1831 48.0225 -13.602 -19.8997 67.1832 -19.8997 -15.55 GPRESSAVG: 3122200 85.3107 48.3371 68.7533 48.0816 -13.8753 -21.6527 68.3846 -22.0696 -15.2055 TIMING: 3122200 CPU: 9063.65, 0.00289475/step Wall: 9063.65, 0.00289475/step, 1.50994 hours remaining, 206.597656 MB of memory in use. ENERGY: 3122200 739.4704 2106.0891 1948.0396 116.2750 -206179.2679 17810.3686 0.0000 0.0000 34103.6966 -149355.3286 297.8361 -183459.0252 -149256.1079 298.5927 -39.0225 -10.5051 557583.0235 18.5939 18.7433 PRESSURE: 3122400 -150.673 194.715 -83.4866 194.715 68.2602 -129.463 -83.4851 -129.463 -107.754 GPRESSURE: 3122400 -81.2759 177.766 -83.134 138.235 106.528 -137.981 -76.8072 -107.033 -136.193 PRESSAVG: 3122400 2.2088 8.50742 4.15097 8.50741 44.5208 -46.3549 4.15102 -46.3549 -39.1817 GPRESSAVG: 3122400 1.20052 7.57198 3.64261 7.53637 44.9946 -44.8927 3.47913 -45.2286 -38.8626 TIMING: 3122400 CPU: 9064.23, 0.0028987/step Wall: 9064.23, 0.0028987/step, 1.51183 hours remaining, 206.597656 MB of memory in use. ENERGY: 3122400 748.6813 2083.2655 1991.8269 111.6651 -206463.0358 17929.2866 0.0000 0.0000 34110.4963 -149487.8141 297.8954 -183598.3104 -149393.8687 298.4990 -63.3891 -36.9802 557354.1072 2.5159 2.4441 PRESSURE: 3122600 -304.759 45.4469 54.2972 45.4472 -136.12 31.0172 54.2985 31.0165 -262.741 GPRESSURE: 3122600 -249.784 11.9069 26.6006 70.6854 -95.7085 9.16271 116.556 -75.045 -249.895 PRESSAVG: 3122600 -4.82462 5.45439 33.9489 5.45442 52.9704 -31.0468 33.9489 -31.0469 -23.3995 GPRESSAVG: 3122600 -5.22984 4.96373 32.2007 8.51653 51.6505 -30.2964 33.7433 -31.3932 -21.7953 TIMING: 3122600 CPU: 9064.81, 0.00291083/step Wall: 9064.81, 0.00291083/step, 1.518 hours remaining, 206.597656 MB of memory in use. ENERGY: 3122600 774.4724 2074.8250 1957.9884 103.4742 -206109.1769 17630.9508 0.0000 0.0000 34309.3862 -149258.0797 299.6324 -183567.4660 -149161.2122 299.0483 -234.5399 -198.4627 557529.3507 8.2488 8.2085 PRESSURE: 3122800 41.671 196.499 -98.6745 196.5 -28.9893 174.716 -98.6754 174.715 -167.61 GPRESSURE: 3122800 81.5544 239.804 -202.713 92.9816 20.5614 123.603 -51.4292 216.26 -154.327 PRESSAVG: 3122800 32.9303 39.9416 2.38967 39.9416 1.2535 2.47979 2.38959 2.47986 -76.0192 GPRESSAVG: 3122800 32.3007 41.6905 3.80612 36.5148 2.37928 2.75265 3.88775 2.12951 -76.975 TIMING: 3122800 CPU: 9065.39, 0.00292061/step Wall: 9065.39, 0.00292061/step, 1.52294 hours remaining, 206.597656 MB of memory in use. ENERGY: 3122800 783.2303 2086.4487 1935.2948 109.6804 -205723.2675 17661.1770 0.0000 0.0000 33848.1845 -149299.2518 295.6046 -183147.4363 -149203.8040 298.1590 -51.6428 -17.4037 557785.0894 -13.9451 -14.0983 PRESSURE: 3123000 -130.218 49.0041 12.3648 49.0045 51.2264 9.19464 12.3645 9.19592 -520.465 GPRESSURE: 3123000 -67.7382 85.2578 -13.5014 60.8011 77.6317 5.99814 -28.1901 -22.9934 -519.438 PRESSAVG: 3123000 15.0118 -32.9709 3.86756 -32.971 23.9068 9.73942 3.86752 9.73949 13.0222 GPRESSAVG: 3123000 15.319 -35.0618 4.12098 -29.953 23.1302 9.74289 2.68765 9.46449 12.7582 TIMING: 3123000 CPU: 9065.97, 0.00289914/step Wall: 9065.97, 0.00289914/step, 1.51158 hours remaining, 206.597656 MB of memory in use. ENERGY: 3123000 748.6417 2103.0252 1923.7987 120.2426 -205961.3057 17590.3851 0.0000 0.0000 34350.2128 -149124.9996 299.9890 -183475.2123 -149023.6275 299.4692 -199.8187 -169.8482 557931.6669 17.3136 17.0691 PRESSURE: 3123200 -131.913 77.7065 -0.186548 77.7066 49.8321 159.985 -0.187089 159.987 -279.108 GPRESSURE: 3123200 -101.946 105.499 -20.4359 -43.5043 41.4318 163.69 32.3998 146.492 -202.762 PRESSAVG: 3123200 22.8892 -45.9913 9.37049 -45.9912 -27.0092 -2.06218 9.37053 -2.06211 -25.6344 GPRESSAVG: 3123200 23.2979 -46.2909 9.24862 -45.6815 -26.8232 -1.62652 10.7264 -0.63389 -26.0384 TIMING: 3123200 CPU: 9066.56, 0.00291584/step Wall: 9066.56, 0.00291584/step, 1.52012 hours remaining, 206.597656 MB of memory in use. ENERGY: 3123200 737.0895 2093.8228 1967.9921 111.2844 -205826.5926 17602.8548 0.0000 0.0000 34134.9190 -149178.6299 298.1087 -183313.5490 -149078.0510 298.9843 -120.3964 -87.7587 557863.2263 -9.9181 -9.8546 PRESSURE: 3123400 -258.327 -58.3188 -86.5215 -58.3193 -145.178 -87.4268 -86.5211 -87.426 -112.774 GPRESSURE: 3123400 -183.226 -36.3764 -62.1188 -88.0108 -150.298 -21.2816 -215.087 -86.8944 -81.2151 PRESSAVG: 3123400 13.6172 50.4673 22.4358 50.4673 -3.46008 28.0861 22.4358 28.0863 14.4014 GPRESSAVG: 3123400 14.0921 54.0255 23.9846 47.3741 -3.33804 30.7646 21.3874 24.9724 13.8033 TIMING: 3123400 CPU: 9067.14, 0.00289461/step Wall: 9067.14, 0.00289461/step, 1.5089 hours remaining, 206.597656 MB of memory in use. ENERGY: 3123400 720.4174 2124.1900 1925.5400 99.3945 -205840.0189 17542.9738 0.0000 0.0000 34252.2746 -149175.2285 299.1336 -183427.5031 -149069.6660 298.5375 -172.0928 -138.2465 559828.0455 8.1862 8.1858 PRESSURE: 3123600 -37.645 24.2718 -2.84304 24.2729 -61.8218 4.05626 -2.84302 4.05596 -151.94 GPRESSURE: 3123600 8.90289 -37.1293 48.2446 67.5421 -54.8491 -106.409 -4.833 -21.3453 -107.195 PRESSAVG: 3123600 -18.5327 -11.2251 -40.5563 -11.2251 33.5086 25.974 -40.5564 25.9739 -5.5836 GPRESSAVG: 3123600 -17.9469 -13.6447 -41.0928 -9.75578 33.4487 21.3193 -41.2676 28.8262 -5.87625 TIMING: 3123600 CPU: 9067.72, 0.00292058/step Wall: 9067.72, 0.00292058/step, 1.52227 hours remaining, 206.597656 MB of memory in use. ENERGY: 3123600 724.4238 2106.7408 1960.3670 104.3635 -206257.2630 17696.5806 0.0000 0.0000 34167.2849 -149497.5024 298.3914 -183664.7873 -149394.0990 298.6438 -83.8022 -51.0470 557426.6621 3.1308 3.2085 PRESSURE: 3123800 17.9795 -108.511 -1.52248 -108.51 54.0736 -2.882 -1.52263 -2.88216 -167.813 GPRESSURE: 3123800 28.5541 -34.5449 -48.6755 -132.662 108.98 -4.39819 -97.2005 78.0973 -145.577 PRESSAVG: 3123800 6.84239 -28.0276 48.7196 -28.0277 8.24664 -18.8711 48.7196 -18.8711 -9.74105 GPRESSAVG: 3123800 6.02624 -27.2064 48.7901 -27.671 9.64067 -19.2287 49.2664 -18.9762 -10.3791 TIMING: 3123800 CPU: 9068.31, 0.00293586/step Wall: 9068.31, 0.00293586/step, 1.53007 hours remaining, 206.597656 MB of memory in use. ENERGY: 3123800 757.1106 2136.9186 1977.8753 112.1849 -206446.1976 17894.0850 0.0000 0.0000 34133.4268 -149434.5964 298.0957 -183568.0232 -149339.7875 298.7042 -31.9198 -2.6808 556334.7881 1.7827 1.7626 PRESSURE: 3124000 -221.806 -90.2831 -168.569 -90.2843 -138.325 65.9459 -168.569 65.9478 177.827 GPRESSURE: 3124000 -149.528 -145.838 -161.25 -72.8056 -142.781 34.3436 -96.0037 91.7844 212.044 PRESSAVG: 3124000 54.0914 -35.3544 -9.95079 -35.3544 -37.9857 -3.57014 -9.95071 -3.57022 -35.23 GPRESSAVG: 3124000 55.7536 -36.012 -9.36226 -35.0441 -41.3782 -1.15655 -10.7881 -4.76242 -33.7667 TIMING: 3124000 CPU: 9068.89, 0.00291234/step Wall: 9068.89, 0.00291234/step, 1.51765 hours remaining, 206.597656 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: 3124000 749.5326 2051.6544 1964.4567 113.2146 -206357.6448 17818.7385 0.0000 0.0000 34241.1872 -149418.8608 299.0368 -183660.0480 -149320.3765 298.2784 -60.7679 -26.7549 557363.5415 -6.3748 -6.4637 PRESSURE: 3124200 16.4294 14.178 44.0792 14.1775 117.897 -107.666 44.079 -107.667 276.918 GPRESSURE: 3124200 82.0867 7.49741 64.5771 11.2407 204.002 -162.157 58.098 -55.6638 225.33 PRESSAVG: 3124200 61.0608 -15.7365 2.75439 -15.7364 -97.6701 -38.3168 2.75434 -38.3169 56.3701 GPRESSAVG: 3124200 59.8149 -13.5812 3.5285 -16.0177 -96.2028 -40.2415 2.53136 -36.2469 56.0976 TIMING: 3124200 CPU: 9069.47, 0.00292035/step Wall: 9069.47, 0.00292035/step, 1.52166 hours remaining, 206.597656 MB of memory in use. ENERGY: 3124200 732.8904 2115.6829 1967.9865 103.6511 -206380.1377 18011.6676 0.0000 0.0000 34383.9409 -149064.3183 300.2835 -183448.2591 -148974.2231 299.4706 137.0815 170.4728 557237.2414 6.5869 6.5699 LDB: ============= START OF LOAD BALANCING ============== 9072.94 LDB: ============== END OF LOAD BALANCING =============== 9072.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9072.94 LDB: ============= START OF LOAD BALANCING ============== 9073.23 LDB: Largest compute 4848 load 0.027538 is 23.4% of average load 0.117795 LDB: Average compute 0.001700 is 1.4% of average load 0.117795 LDB: TIME 9073.24 LOAD: AVG 0.117795 MAX 0.177663 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.43 MB LDB: TIME 9073.24 LOAD: AVG 0.117795 MAX 0.177663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 9073.24 LOAD: AVG 0.117795 MAX 0.177663 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9073.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9073.24 PRESSURE: 3124400 -130.414 -71.1577 19.5566 -71.1569 -74.2252 -17.5661 19.5555 -17.5673 -98.5494 GPRESSURE: 3124400 -97.7459 -115.955 49.103 -103.381 -8.19166 -26.3734 56.9813 -71.5612 -99.3745 PRESSAVG: 3124400 -0.432278 29.6293 22.2795 29.6294 -28.9242 -54.2032 22.2795 -54.2032 -0.690352 GPRESSAVG: 3124400 -0.394555 27.2088 17.8286 28.9506 -29.5936 -54.3075 25.1251 -56.6319 -0.0937951 TIMING: 3124400 CPU: 9070.07, 0.0029721/step Wall: 9070.07, 0.0029721/step, 1.54847 hours remaining, 205.972656 MB of memory in use. ENERGY: 3124400 724.3199 2127.9546 1967.1156 108.3590 -206014.6003 17816.5709 0.0000 0.0000 34333.7989 -148936.4815 299.8456 -183270.2804 -148836.7405 300.2587 -101.0628 -68.4373 558839.8692 -10.0156 -10.0273 PRESSURE: 3124600 153.365 -158.928 161.501 -158.927 29.309 -143.093 161.5 -143.091 94.5766 GPRESSURE: 3124600 172.423 -38.4608 123.619 -215.662 29.6241 -131.397 115.509 -96.8956 166.77 PRESSAVG: 3124600 39.937 -16.3101 34.9305 -16.3101 -10.305 38.9876 34.9306 38.9876 -38.7395 GPRESSAVG: 3124600 40.2801 -16.3394 38.4553 -14.3994 -9.60981 41.2902 33.6334 39.6388 -39.8385 TIMING: 3124600 CPU: 9070.65, 0.00291093/step Wall: 9070.65, 0.00291093/step, 1.51643 hours remaining, 205.972656 MB of memory in use. ENERGY: 3124600 780.9405 2078.7551 1979.2999 136.6935 -206197.3250 18003.5196 0.0000 0.0000 34277.8777 -148940.2386 299.3572 -183218.1163 -148845.4145 299.0993 92.4167 122.9390 557949.6656 -3.0358 -3.0561 PRESSURE: 3124800 151.585 81.9891 -28.4984 81.9896 -96.3825 171.119 -28.4962 171.118 -11.7006 GPRESSURE: 3124800 189.161 -22.8269 -2.83323 149.372 -9.2628 167.307 -10.5741 185.045 -34.4929 PRESSAVG: 3124800 116.243 -69.4487 -30.4999 -69.4487 -20.9231 -21.983 -30.4999 -21.9829 -75.7097 GPRESSAVG: 3124800 115.68 -68.3108 -30.8892 -69.815 -21.3198 -22.7083 -30.1285 -21.9726 -74.6809 TIMING: 3124800 CPU: 9071.23, 0.00289235/step Wall: 9071.23, 0.00289235/step, 1.50659 hours remaining, 205.972656 MB of memory in use. ENERGY: 3124800 737.1654 2098.4702 1999.8772 117.6851 -206221.7170 17950.4559 0.0000 0.0000 34254.4347 -149063.6285 299.1525 -183318.0632 -148973.1733 300.1800 14.5006 48.4684 558303.9781 6.5368 6.5599 PRESSURE: 3125000 3.68281 215.986 191.46 215.986 40.6423 -103.917 191.461 -103.918 -136.072 GPRESSURE: 3125000 64.4017 264.404 162.536 208.657 11.568 -115.182 225.664 3.70381 -76.3909 PRESSAVG: 3125000 77.4585 3.49797 1.25082 3.49795 -53.5665 2.07193 1.25072 2.07187 15.4686 GPRESSAVG: 3125000 77.9713 2.81527 1.95377 2.84021 -53.9185 2.87863 -0.789352 1.35679 14.9614 TIMING: 3125000 CPU: 9071.81, 0.00289193/step Wall: 9071.81, 0.00289193/step, 1.50621 hours remaining, 205.972656 MB of memory in use. ENERGY: 3125000 740.4292 2125.9911 1975.4671 116.1646 -205855.5948 17650.3745 0.0000 0.0000 34423.9933 -148823.1749 300.6333 -183247.1682 -148730.4176 299.5666 -30.5822 -0.1404 559029.7337 13.1202 13.0047 PRESSURE: 3125200 -36.5802 -96.9749 41.8385 -96.975 -215.861 19.8317 41.8392 19.8317 -243.386 GPRESSURE: 3125200 -41.8397 -101.652 87.389 -101.225 -177.446 -18.5434 68.1781 2.77581 -186.198 PRESSAVG: 3125200 60.5423 38.3994 21.9266 38.3993 -62.897 -10.9666 21.9266 -10.9667 -7.77356 GPRESSAVG: 3125200 59.6988 39.7743 22.2799 36.8215 -63.2745 -10.4351 22.8695 -10.025 -6.87219 TIMING: 3125200 CPU: 9072.38, 0.00288447/step Wall: 9072.38, 0.00288447/step, 1.50217 hours remaining, 205.972656 MB of memory in use. ENERGY: 3125200 792.3483 2177.4747 1962.6779 111.3759 -205615.0063 17541.6732 0.0000 0.0000 34203.3372 -148826.1190 298.7063 -183029.4562 -148723.1860 300.4976 -165.2756 -135.1611 557017.1199 -3.3761 -3.4826 PRESSURE: 3125400 136.168 -15.0416 46.5141 -15.042 -117.864 136.27 46.514 136.27 -183.346 GPRESSURE: 3125400 143.639 -144.867 67.2024 30.9701 -65.3781 148.156 35.5954 62.6862 -147.483 PRESSAVG: 3125400 15.8389 0.487989 32.037 0.487996 50.3173 8.62568 32.037 8.62571 -17.2514 GPRESSAVG: 3125400 16.0041 -0.948449 29.9949 3.69944 50.8239 8.5112 33.9408 7.87017 -18.2958 TIMING: 3125400 CPU: 9072.96, 0.00288417/step Wall: 9072.96, 0.00288417/step, 1.50185 hours remaining, 206.042969 MB of memory in use. ENERGY: 3125400 747.1274 2166.6434 1969.4027 120.0540 -205958.9177 17597.0916 0.0000 0.0000 34444.7087 -148913.8900 300.8142 -183358.5987 -148819.1386 300.3719 -55.0137 -23.0742 556708.2649 16.3016 16.1774 PRESSURE: 3125600 74.1347 243.809 123.607 243.808 69.6965 -76.1784 123.606 -76.1762 58.6309 GPRESSURE: 3125600 121.509 94.6029 81.5472 263.539 58.1191 -54.6031 78.8453 -4.55447 117.428 PRESSAVG: 3125600 -15.7519 -44.3326 79.2926 -44.3326 53.8533 44.9079 79.2926 44.908 -66.8993 GPRESSAVG: 3125600 -16.3096 -43.4613 78.7942 -47.2237 53.3466 45.1362 79.0089 44.8683 -66.4622 TIMING: 3125600 CPU: 9073.54, 0.00287828/step Wall: 9073.54, 0.00287828/step, 1.49862 hours remaining, 206.042969 MB of memory in use. ENERGY: 3125600 766.9530 2105.9968 1957.5952 120.0364 -206121.7478 17944.4543 0.0000 0.0000 34348.1793 -148878.5329 299.9712 -183226.7122 -148786.5364 300.1590 67.4874 99.0188 557062.1409 -9.5993 -9.8084 PRESSURE: 3125800 -23.1105 13.5529 -76.0484 13.5539 214.064 124.916 -76.0486 124.919 33.2139 GPRESSURE: 3125800 1.65062 -26.3715 -77.6704 -34.0567 230.728 108.163 -68.4934 163.96 92.156 PRESSAVG: 3125800 -13.796 -14.8605 26.1722 -14.8605 58.9181 45.9437 26.1723 45.9436 -0.154476 GPRESSAVG: 3125800 -13.2521 -15.3439 27.4067 -13.5146 58.6616 43.7224 25.2576 46.4248 -0.311057 TIMING: 3125800 CPU: 9074.12, 0.0029051/step Wall: 9074.12, 0.0029051/step, 1.51243 hours remaining, 206.042969 MB of memory in use. ENERGY: 3125800 740.6121 2114.6625 1960.0172 113.6316 -205957.5676 17792.5377 0.0000 0.0000 34341.0665 -148895.0400 299.9091 -183236.1065 -148795.2653 300.0607 74.7225 108.1784 556380.0251 14.9892 15.0328 PRESSURE: 3126000 -213.645 133.862 20.0172 133.863 -76.7585 9.4164 20.0173 9.41677 -101.154 GPRESSURE: 3126000 -152.103 68.0938 10.5623 73.964 -91.709 35.9276 -1.10698 -23.7131 -56.1905 PRESSAVG: 3126000 -64.2964 20.4995 64.2707 20.4994 2.01337 46.9143 64.2707 46.9144 62.6587 GPRESSAVG: 3126000 -65.1589 20.9631 63.4071 20.3412 3.00634 46.6345 63.7841 46.7498 62.4883 TIMING: 3126000 CPU: 9074.7, 0.00291469/step Wall: 9074.7, 0.00291469/step, 1.51726 hours remaining, 206.042969 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: 3126000 721.2531 2166.2665 1947.3629 119.8176 -205730.2738 17496.5571 0.0000 0.0000 34239.2411 -149039.7756 299.0198 -183279.0167 -148940.3337 300.0108 -130.5190 -100.0009 557275.5431 0.1252 0.1119 PRESSURE: 3126200 -220.47 28.2603 151.3 28.2607 58.8466 -93.8955 151.301 -93.897 -0.208537 GPRESSURE: 3126200 -198.332 -20.3432 147.547 31.308 100.157 -66.3774 87.7296 -167.232 18.9016 PRESSAVG: 3126200 -38.9838 4.04387 -18.5143 4.04393 133.153 -16.0197 -18.5144 -16.0198 -31.4012 GPRESSAVG: 3126200 -39.3579 3.12252 -19.1898 5.30061 133.766 -16.6029 -16.755 -15.0429 -32.0533 TIMING: 3126200 CPU: 9075.28, 0.00290228/step Wall: 9075.28, 0.00290228/step, 1.51064 hours remaining, 206.042969 MB of memory in use. ENERGY: 3126200 757.3936 2137.3617 1999.1068 132.9683 -205894.6693 17690.6916 0.0000 0.0000 34124.8816 -149052.2657 298.0211 -183177.1473 -148953.4626 299.8812 -53.9438 -26.4246 558961.0987 20.9226 20.7851 PRESSURE: 3126400 189.527 26.1801 135.935 26.1795 -209.726 78.6739 135.934 78.6742 -43.8579 GPRESSURE: 3126400 243.184 -10.5455 112.586 44.2924 -166.588 98.5896 148.861 118.862 -41.0399 PRESSAVG: 3126400 25.6736 -23.081 -60.3933 -23.081 13.9408 -16.7378 -60.3934 -16.7379 -47.7943 GPRESSAVG: 3126400 24.9206 -23.7856 -60.3838 -23.6611 13.2132 -15.1421 -62.242 -17.4638 -46.5469 TIMING: 3126400 CPU: 9075.86, 0.00289677/step Wall: 9075.86, 0.00289677/step, 1.50761 hours remaining, 206.042969 MB of memory in use. ENERGY: 3126400 786.6096 2049.1107 1998.2169 118.5204 -206184.3192 17812.4307 0.0000 0.0000 34278.1595 -149141.2713 299.3597 -183419.4309 -149039.9080 299.5048 -21.3523 11.8519 557712.2404 -2.7266 -2.8044 PRESSURE: 3126600 -334.981 -143.415 -62.7293 -143.415 -167.47 -97.7726 -62.7298 -97.7734 -382.123 GPRESSURE: 3126600 -320.345 -178.85 -223.577 -103.551 -123.751 -44.3451 5.45527 -175.17 -334.208 PRESSAVG: 3126600 -18.9028 14.7951 3.86227 14.795 2.12506 1.18193 3.86233 1.18186 -13.658 GPRESSAVG: 3126600 -16.7231 15.1291 4.637 13.5765 0.606153 1.4909 4.49136 -0.0743999 -13.9871 TIMING: 3126600 CPU: 9076.44, 0.00287945/step Wall: 9076.44, 0.00287945/step, 1.49843 hours remaining, 206.042969 MB of memory in use. ENERGY: 3126600 791.4595 2111.4292 1999.9431 107.7512 -206048.6947 17416.6500 0.0000 0.0000 34326.1238 -149295.3380 299.7786 -183621.4619 -149198.8484 299.8602 -294.8579 -259.4347 556860.5518 -10.1453 -10.0347 PRESSURE: 3126800 -209.788 3.88293 -39.0273 3.88203 -363.059 -97.1645 -39.0275 -97.1656 -103.713 GPRESSURE: 3126800 -161.5 72.8712 -115.613 22.3343 -360.428 -77.4616 -4.20615 -104.468 -64.463 PRESSAVG: 3126800 11.5899 -7.39698 -33.9317 -7.39704 -25.735 -4.84759 -33.9317 -4.84764 -7.97416 GPRESSAVG: 3126800 10.9409 -7.188 -32.0033 -6.3157 -25.117 -5.8964 -33.8505 -3.25218 -7.98123 TIMING: 3126800 CPU: 9077.01, 0.00288976/step Wall: 9077.01, 0.00288976/step, 1.50364 hours remaining, 206.042969 MB of memory in use. ENERGY: 3126800 765.8032 2076.4031 1976.8054 111.3044 -206124.2144 17657.6833 0.0000 0.0000 34231.3862 -149304.8289 298.9512 -183536.2151 -149206.2279 299.3379 -225.5200 -195.4635 557633.4996 -7.3731 -7.3858 PRESSURE: 3127000 66.49 -58.7563 67.7903 -58.756 101.173 65.7831 67.7896 65.7844 93.3712 GPRESSURE: 3127000 77.2774 -48.5811 15.1101 -28.4611 146.11 26.3076 59.981 52.3894 131.161 PRESSAVG: 3127000 70.2074 26.197 -30.5892 26.1968 -47.9838 -54.9112 -30.5891 -54.9112 12.338 GPRESSAVG: 3127000 68.1574 25.9662 -31.1505 25.9358 -46.9211 -52.2677 -30.5208 -56.8451 14.0511 TIMING: 3127000 CPU: 9077.59, 0.00289231/step Wall: 9077.59, 0.00289231/step, 1.5048 hours remaining, 206.164062 MB of memory in use. ENERGY: 3127000 759.7753 2110.4305 1958.6531 120.5936 -206585.1870 17991.1062 0.0000 0.0000 34328.0536 -149316.5746 299.7954 -183644.6283 -149222.1057 298.9100 87.0114 118.1828 555809.9376 11.5205 11.7625 PRESSURE: 3127200 -57.8023 13.8977 88.4146 13.8962 -3.64958 44.5989 88.4138 44.5986 -103.22 GPRESSURE: 3127200 -88.7685 124.206 146.959 -95.7623 60.4341 65.9272 26.6827 86.1802 -24.3969 PRESSAVG: 3127200 -48.9743 -16.5225 32.6572 -16.5225 9.5188 -14.0734 32.6571 -14.0736 33.5162 GPRESSAVG: 3127200 -46.4615 -13.3198 29.8945 -18.2393 8.84115 -15.2187 33.3791 -11.4568 32.1892 TIMING: 3127200 CPU: 9078.17, 0.00289904/step Wall: 9078.17, 0.00289904/step, 1.50815 hours remaining, 206.164062 MB of memory in use. ENERGY: 3127200 769.0480 2089.2839 1965.0236 107.3304 -206364.4751 17934.3583 0.0000 0.0000 34002.7399 -149496.6911 296.9544 -183499.4310 -149395.2894 299.1420 -54.8907 -17.5771 557647.0645 -1.9798 -1.8104 PRESSURE: 3127400 -0.102576 33.3872 -155.957 33.3896 14.3495 -32.0662 -155.957 -32.067 -163.044 GPRESSURE: 3127400 51.0578 -8.60293 -141.635 23.158 44.9059 -95.041 -197.095 -102.757 -146.569 PRESSAVG: 3127400 -38.129 -10.9469 -41.3173 -10.9469 39.332 -39.3987 -41.3173 -39.3986 13.0455 GPRESSAVG: 3127400 -37.9696 -12.7518 -40.553 -9.8855 39.5688 -40.9654 -41.7051 -39.7666 12.669 TIMING: 3127400 CPU: 9078.76, 0.00292571/step Wall: 9078.76, 0.00292571/step, 1.52186 hours remaining, 206.164062 MB of memory in use. ENERGY: 3127400 754.2230 2092.5106 1958.2756 106.5489 -206465.2266 17820.8078 0.0000 0.0000 34199.4010 -149533.4597 298.6719 -183732.8607 -149436.0215 298.3611 -49.5990 -16.8684 557181.2005 4.7495 4.7561 PRESSURE: 3127600 79.3595 29.9554 -117.285 29.9556 184.164 36.766 -117.285 36.7647 -303.292 GPRESSURE: 3127600 53.1488 12.1791 -53.5995 15.8512 208.125 62.9975 -170.683 32.9804 -200.863 PRESSAVG: 3127600 -17.739 -6.76463 -63.2949 -6.7647 -1.32927 -44.5492 -63.2948 -44.5491 -23.9847 GPRESSAVG: 3127600 -17.5343 -6.85266 -60.7056 -8.72589 -2.15728 -43.9564 -65.3852 -44.4112 -23.3017 TIMING: 3127600 CPU: 9079.34, 0.00291174/step Wall: 9079.34, 0.00291174/step, 1.51443 hours remaining, 206.164062 MB of memory in use. ENERGY: 3127600 772.6361 2058.9808 1960.4219 106.8261 -206404.1697 17911.1394 0.0000 0.0000 34122.6401 -149471.5253 298.0015 -183594.1655 -149377.6907 298.1893 -13.2560 20.1370 557968.8967 -14.3510 -14.3311 PRESSURE: 3127800 -184.458 72.8376 127.344 72.8381 -68.3263 -121.75 127.344 -121.751 100.089 GPRESSURE: 3127800 -148.723 78.2461 153.936 174.589 -42.5557 -122.149 107.811 -46.7628 118.551 PRESSAVG: 3127800 -38.3197 -36.3942 28.8669 -36.3942 68.8661 26.2522 28.8668 26.2522 -30.9359 GPRESSAVG: 3127800 -37.4982 -35.3076 27.4205 -34.772 68.1378 26.1527 31.7462 25.1125 -30.8599 TIMING: 3127800 CPU: 9079.92, 0.00290583/step Wall: 9079.92, 0.00290583/step, 1.51119 hours remaining, 206.164062 MB of memory in use. ENERGY: 3127800 719.9386 2137.0274 1951.3945 102.2993 -206418.1315 17825.5816 0.0000 0.0000 34239.6941 -149442.1961 299.0238 -183681.8902 -149344.9185 298.2301 -50.8984 -24.2427 559053.8251 -0.1299 -0.0734 PRESSURE: 3128000 64.3068 -133.047 75.09 -133.046 -20.5321 39.5613 75.0891 39.5616 -33.469 GPRESSURE: 3128000 110.326 -92.9341 74.7348 -90.2989 8.46306 13.1808 106.648 -7.32665 -14.6012 PRESSAVG: 3128000 1.99195 -37.7552 -6.29628 -37.7552 22.2357 -8.13907 -6.29631 -8.13916 -43.1604 GPRESSAVG: 3128000 0.148292 -41.0929 -7.45988 -36.7022 22.7825 -8.67148 -7.80091 -8.01965 -42.0643 TIMING: 3128000 CPU: 9080.5, 0.0029171/step Wall: 9080.5, 0.0029171/step, 1.51689 hours remaining, 206.164062 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: 3128000 743.8437 2113.7437 1964.3384 114.8239 -206423.6245 17776.7266 0.0000 0.0000 34184.5130 -149525.6351 298.5419 -183710.1481 -149429.4685 298.5870 3.4352 34.7292 557866.9968 -6.3109 -6.3779 PRESSURE: 3128200 -30.2189 13.8404 -67.098 13.841 71.9741 180.928 -67.0968 180.926 42.871 GPRESSURE: 3128200 26.9025 -26.6953 -108.442 -34.6323 124.346 168.178 -52.0359 177.851 30.674 PRESSAVG: 3128200 -21.5579 -31.1945 -24.365 -31.1945 43.5364 24.5984 -24.365 24.5983 -37.1545 GPRESSAVG: 3128200 -19.5138 -30.7014 -24.5064 -29.4649 43.2012 24.7559 -24.7322 24.8523 -39.5646 TIMING: 3128200 CPU: 9081.08, 0.00289544/step Wall: 9081.08, 0.00289544/step, 1.50547 hours remaining, 206.164062 MB of memory in use. ENERGY: 3128200 732.3098 2078.6121 1969.8923 105.9063 -206572.6696 17952.8490 0.0000 0.0000 34126.9700 -149606.1301 298.0393 -183733.1001 -149505.9098 298.4680 28.2087 60.6407 556077.5032 -5.0587 -5.2924 LDB: ============= START OF LOAD BALANCING ============== 9084.55 LDB: ============== END OF LOAD BALANCING =============== 9084.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9084.55 LDB: ============= START OF LOAD BALANCING ============== 9084.84 LDB: Largest compute 4848 load 0.030665 is 26.0% of average load 0.117829 LDB: Average compute 0.001706 is 1.4% of average load 0.117829 LDB: TIME 9084.84 LOAD: AVG 0.117829 MAX 0.179158 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 9084.84 LOAD: AVG 0.117829 MAX 0.179158 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: TIME 9084.84 LOAD: AVG 0.117829 MAX 0.179158 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.895 MB LDB: ============== END OF LOAD BALANCING =============== 9084.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9084.85 PRESSURE: 3128400 -268.289 -143.052 -147.153 -143.052 44.8953 74.9208 -147.152 74.9202 11.4624 GPRESSURE: 3128400 -242.24 -97.8509 -96.7356 -24.5417 105.911 82.2371 -174.696 82.0662 17.7347 PRESSAVG: 3128400 55.0804 -27.882 31.6258 -27.882 -16.3048 31.5147 31.6258 31.5147 -21.9188 GPRESSAVG: 3128400 54.2636 -26.1762 31.2013 -29.9461 -15.9905 33.1645 33.8496 32.6127 -21.4154 TIMING: 3128400 CPU: 9081.67, 0.00295802/step Wall: 9081.67, 0.00295802/step, 1.53784 hours remaining, 207.433594 MB of memory in use. ENERGY: 3128400 718.4644 2085.4810 1974.6156 106.6960 -206082.9705 17692.4131 0.0000 0.0000 34139.7260 -149365.5744 298.1507 -183505.3004 -149270.6326 298.6428 -70.6437 -39.5313 558685.0124 5.6189 5.6192 PRESSURE: 3128600 -45.8921 66.5606 29.9687 66.5596 225.283 -152.06 29.9702 -152.059 -74.387 GPRESSURE: 3128600 13.1496 58.1677 65.9217 64.3971 259.14 -231.248 88.4736 -160.112 -82.1237 PRESSAVG: 3128600 -22.6176 44.1148 17.4782 44.1148 103.791 -21.9236 17.4782 -21.9236 -47.7986 GPRESSAVG: 3128600 -23.0628 44.5162 19.742 42.7324 103.524 -24.0708 14.6303 -22.4975 -47.4272 TIMING: 3128600 CPU: 9082.26, 0.00290599/step Wall: 9082.26, 0.00290599/step, 1.51063 hours remaining, 207.503906 MB of memory in use. ENERGY: 3128600 793.4659 2126.8495 1942.3227 98.4777 -206605.8420 17989.5314 0.0000 0.0000 34305.3578 -149349.8371 299.5972 -183655.1949 -149257.9926 298.9358 35.0013 63.3886 556563.9962 11.1250 11.0114 PRESSURE: 3128800 -73.0772 -76.118 -41.4427 -76.1178 -30.9781 9.1377 -41.4432 9.13834 -49.4532 GPRESSURE: 3128800 -57.7108 -120.079 -108.69 -43.7779 37.4126 34.0483 18.3211 4.43257 -34.6345 PRESSAVG: 3128800 2.36424 17.4175 23.4823 17.4175 37.9395 -25.9857 23.4823 -25.9857 31.1936 GPRESSAVG: 3128800 2.52031 16.3072 20.5714 19.0856 37.0884 -24.1475 27.9887 -26.6939 32.1725 TIMING: 3128800 CPU: 9082.84, 0.00291178/step Wall: 9082.84, 0.00291178/step, 1.51348 hours remaining, 207.503906 MB of memory in use. ENERGY: 3128800 754.5490 2097.0054 1933.3896 117.3802 -206066.2852 17847.0316 0.0000 0.0000 33888.2768 -149428.6527 295.9547 -183316.9295 -149333.8622 298.5571 -51.1695 -18.3109 558337.4771 23.8324 23.9271 PRESSURE: 3129000 -45.8217 182.882 -57.6597 182.882 -43.7726 209.049 -57.6595 209.05 187.48 GPRESSURE: 3129000 -0.102673 201.05 -40.8165 116.681 16.3647 197.673 8.33445 195.483 178.295 PRESSAVG: 3129000 -43.171 1.00037 41.2045 1.0002 -12.6038 78.4146 41.2045 78.4144 74.1614 GPRESSAVG: 3129000 -42.9722 3.10298 43.4009 -0.780019 -11.8617 77.4017 36.1888 78.7885 72.9735 TIMING: 3129000 CPU: 9083.42, 0.00288803/step Wall: 9083.42, 0.00288803/step, 1.50097 hours remaining, 207.503906 MB of memory in use. ENERGY: 3129000 726.4490 2082.3260 1965.6523 106.4590 -206225.4938 17801.1269 0.0000 0.0000 34113.0784 -149430.4022 297.9180 -183543.4806 -149333.3074 298.7664 32.6286 64.8522 558393.0694 6.1289 6.0465 PRESSURE: 3129200 -66.3595 17.3544 -19.2887 17.3544 -156.61 -24.4917 -19.2882 -24.4919 -312.2 GPRESSURE: 3129200 -38.209 21.6211 5.07487 -37.0489 -92.9504 -78.858 64.0171 -21.5992 -321.971 PRESSAVG: 3129200 -26.4954 5.96694 30.1358 5.96696 -16.1356 17.5245 30.1358 17.5245 -2.21979 GPRESSAVG: 3129200 -26.428 4.42676 30.4747 7.22697 -16.3703 16.839 28.7364 19.8563 -2.59402 TIMING: 3129200 CPU: 9083.99, 0.00289275/step Wall: 9083.99, 0.00289275/step, 1.50326 hours remaining, 207.503906 MB of memory in use. ENERGY: 3129200 733.0583 2169.3225 1966.1583 116.0577 -205884.8778 17514.2684 0.0000 0.0000 33970.8564 -149415.1560 296.6759 -183386.0125 -149315.5295 298.0366 -178.3896 -151.0435 558641.9895 -14.9503 -15.1308 PRESSURE: 3129400 30.1494 -1.29456 110.205 -1.2956 -226.692 -150.704 110.205 -150.704 240.824 GPRESSURE: 3129400 100.577 21.8867 240.678 -38.0679 -188.975 -110.28 90.846 -98.706 226.683 PRESSAVG: 3129400 27.5684 33.2443 11.7042 33.2442 13.493 -27.4502 11.7041 -27.4502 6.93976 GPRESSAVG: 3129400 26.2524 36.2716 9.31199 31.2054 13.3035 -26.9839 15.0311 -27.4339 8.28352 TIMING: 3129400 CPU: 9084.58, 0.00290499/step Wall: 9084.58, 0.00290499/step, 1.50946 hours remaining, 207.761719 MB of memory in use. ENERGY: 3129400 753.6596 2135.8619 1948.1068 100.1988 -206436.7770 17949.6119 0.0000 0.0000 34346.4824 -149202.8557 299.9564 -183549.3381 -149102.8002 298.7422 14.7605 46.0950 557285.9912 16.0004 15.9465 PRESSURE: 3129600 -88.5159 -127.897 19.8198 -127.898 -1.52292 27.2069 19.8205 27.2091 -79.1949 GPRESSURE: 3129600 -47.6139 -79.5303 21.6318 -100.7 38.234 86.056 15.9878 -22.9602 -55.5279 PRESSAVG: 3129600 27.3173 15.8538 18.5608 15.8538 -3.39767 -19.2011 18.5608 -19.2011 -44.5016 GPRESSAVG: 3129600 28.3556 15.2471 16.8575 19.784 -4.63299 -18.3399 19.3003 -22.0026 -45.0161 TIMING: 3129600 CPU: 9085.15, 0.00289815/step Wall: 9085.15, 0.00289816/step, 1.50575 hours remaining, 207.761719 MB of memory in use. ENERGY: 3129600 743.9264 2169.0183 1950.9126 114.9333 -206321.8424 17901.4371 0.0000 0.0000 34206.8277 -149234.7871 298.7367 -183441.6147 -149137.5554 299.2794 -56.4112 -21.6359 556852.6556 -6.8607 -7.0978 PRESSURE: 3129800 -125.601 -146.874 122.144 -146.873 -371.868 -137.387 122.142 -137.387 -323.071 GPRESSURE: 3129800 -69.268 -209.097 130.986 9.99498 -388.289 -171.851 119.378 -122.45 -256.174 PRESSAVG: 3129800 0.576054 -10.1575 -18.064 -10.1576 50.0528 25.0238 -18.064 25.0238 -38.9832 GPRESSAVG: 3129800 0.805975 -11.0607 -15.561 -11.2962 50.534 26.1055 -20.288 26.4908 -39.5961 TIMING: 3129800 CPU: 9085.73, 0.00289891/step Wall: 9085.73, 0.00289891/step, 1.50599 hours remaining, 207.761719 MB of memory in use. ENERGY: 3129800 755.9854 2085.4292 1952.9221 114.5662 -205972.1092 17633.9923 0.0000 0.0000 34321.1356 -149108.0784 299.7350 -183429.2140 -149014.1267 299.8875 -273.5136 -237.9101 559843.1326 3.8819 3.9146 PRESSURE: 3130000 -255.667 -166.439 172.302 -166.44 48.2031 26.2126 172.3 26.2131 -172.103 GPRESSURE: 3130000 -181.093 -91.0807 175.368 -147.207 59.1582 -42.1889 114.837 40.3766 -155.428 PRESSAVG: 3130000 3.0445 -13.3882 4.23705 -13.3883 -27.8543 22.8414 4.23711 22.8412 -11.1104 GPRESSAVG: 3130000 2.96555 -14.64 3.30325 -12.3755 -26.2857 21.2416 4.09843 22.6239 -11.9922 TIMING: 3130000 CPU: 9086.31, 0.00289502/step Wall: 9086.31, 0.00289502/step, 1.5038 hours remaining, 207.761719 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: 3130000 786.1047 2075.9051 1943.2239 111.3621 -206256.8309 17813.1043 0.0000 0.0000 34325.5344 -149201.5964 299.7734 -183527.1308 -149100.7008 300.1423 -126.5224 -92.4541 558486.8344 -11.9734 -11.7708 PRESSURE: 3130200 -169.696 168.112 -86.7181 168.111 105.438 112.1 -86.7176 112.098 53.3159 GPRESSURE: 3130200 -135.476 97.4613 -41.4756 207.417 162.781 168.029 -132.654 50.6862 68.3869 PRESSAVG: 3130200 -28.7215 32.6639 -40.547 32.664 64.3574 14.5478 -40.547 14.5476 -52.4859 GPRESSAVG: 3130200 -28.4251 34.1029 -39.2643 30.5921 62.791 12.7549 -41.3501 16.7615 -51.0902 TIMING: 3130200 CPU: 9086.89, 0.00288465/step Wall: 9086.89, 0.00288465/step, 1.49826 hours remaining, 207.761719 MB of memory in use. ENERGY: 3130200 784.3509 2139.3597 1952.3944 120.3206 -206121.6812 17670.0177 0.0000 0.0000 34359.2640 -149095.9738 300.0680 -183455.2378 -149000.8562 299.1889 -3.6473 31.8973 555666.9242 -5.6167 -5.5748 PRESSURE: 3130400 -204.03 34.8823 -99.478 34.8822 156.671 38.4375 -99.4776 38.438 -265.707 GPRESSURE: 3130400 -209.791 -22.5049 -51.8984 62.4715 212.626 -23.9589 -180.753 71.8388 -226.823 PRESSAVG: 3130400 -35.3302 -5.28085 12.5801 -5.28086 77.9739 41.9877 12.5802 41.9877 -26.1657 GPRESSAVG: 3130400 -35.6223 -5.09388 11.8061 -4.86017 78.6469 42.5048 13.6242 40.7582 -26.5508 TIMING: 3130400 CPU: 9087.47, 0.00290579/step Wall: 9087.47, 0.00290579/step, 1.50908 hours remaining, 207.761719 MB of memory in use. ENERGY: 3130400 758.1388 2122.6312 1977.1998 102.8353 -206153.7571 17763.3075 0.0000 0.0000 34381.7268 -149047.9177 300.2642 -183429.6445 -148949.4101 299.7941 -104.3555 -74.6626 556842.3417 5.4927 5.4913 PRESSURE: 3130600 119.134 199.007 -155.319 199.007 220.049 191.572 -155.317 191.571 218.535 GPRESSURE: 3130600 169.575 116.215 -150.055 249.935 206.861 208.21 -124.744 162.386 276.699 PRESSAVG: 3130600 0.25277 70.7882 9.71329 70.7882 37.0506 -35.1872 9.71326 -35.1871 4.60102 GPRESSAVG: 3130600 -0.0700138 68.0779 9.60349 69.036 38.0283 -32.7357 10.2516 -34.7368 4.25591 TIMING: 3130600 CPU: 9088.05, 0.00289816/step Wall: 9088.05, 0.00289816/step, 1.50495 hours remaining, 207.761719 MB of memory in use. ENERGY: 3130600 761.9689 2128.4401 1961.0979 115.1322 -206670.9548 18261.1675 0.0000 0.0000 34479.5479 -148963.6003 301.1185 -183443.1482 -148870.8055 299.8411 185.9060 217.7118 556041.9386 13.9681 14.0714 PRESSURE: 3130800 -187.219 29.0653 19.932 29.0656 -362.691 -42.8647 19.9323 -42.8662 -147.163 GPRESSURE: 3130800 -170.347 40.4039 51.9617 32.5918 -304.525 -111.276 -11.7308 -37.0082 -125.227 PRESSAVG: 3130800 0.0480127 48.9195 -1.05337 48.9194 -48.3461 -5.04224 -1.05332 -5.04242 53.4494 GPRESSAVG: 3130800 -0.613398 51.0498 0.973076 51.104 -49.079 -6.94743 -2.27635 -5.05965 55.0686 TIMING: 3130800 CPU: 9088.63, 0.00288693/step Wall: 9088.63, 0.00288693/step, 1.49896 hours remaining, 207.761719 MB of memory in use. ENERGY: 3130800 736.3675 2156.1866 1970.1698 121.6895 -205469.5685 17294.2592 0.0000 0.0000 34270.4269 -148920.4690 299.2922 -183190.8959 -148825.3219 300.3520 -232.3578 -200.0329 557426.0953 1.7171 1.7921 PRESSURE: 3131000 80.8776 201.422 -71.7809 201.421 -248.128 -117.996 -71.7802 -117.997 70.2812 GPRESSURE: 3131000 129.785 183.514 -109.47 221.227 -277.627 -74.7389 -17.4724 -168.09 143.977 PRESSAVG: 3131000 23.6024 14.4288 -53.4743 14.4288 -57.8807 -8.87388 -53.4743 -8.87404 29.9213 GPRESSAVG: 3131000 24.1634 16.3141 -53.5626 11.4988 -57.8055 -7.24455 -53.007 -10.4235 29.5883 TIMING: 3131000 CPU: 9089.21, 0.00289574/step Wall: 9089.21, 0.00289574/step, 1.50337 hours remaining, 207.761719 MB of memory in use. ENERGY: 3131000 765.2297 2126.5070 1961.8827 95.1142 -206065.9987 17880.5713 0.0000 0.0000 34131.7712 -149104.9225 298.0812 -183236.6938 -149013.8183 299.3972 -32.3231 -1.2882 558922.1789 -1.4523 -1.3513 PRESSURE: 3131200 -391.692 -22.408 -15.733 -22.4082 -30.4801 -51.8895 -15.7328 -51.8909 -241.942 GPRESSURE: 3131200 -346.183 -52.7546 -78.0324 120.271 -40.908 26.0734 -33.7828 -63.9681 -175.782 PRESSAVG: 3131200 4.41706 -8.10111 30.2057 -8.10106 -31.4179 -46.3277 30.2057 -46.3276 10.3416 GPRESSAVG: 3131200 5.56615 -10.9083 28.1912 -5.81465 -32.3397 -47.5495 30.6062 -45.0858 10.6082 TIMING: 3131200 CPU: 9089.79, 0.00290012/step Wall: 9089.79, 0.00290012/step, 1.50548 hours remaining, 207.761719 MB of memory in use. ENERGY: 3131200 748.2578 2115.2405 1969.3618 111.8210 -205768.2509 17549.2687 0.0000 0.0000 34173.0231 -149101.2781 298.4415 -183274.3012 -149003.2522 299.1811 -221.3714 -187.6244 559944.4514 -5.5531 -5.3885 PRESSURE: 3131400 -45.4227 -105.537 115.228 -105.537 -261.1 -3.34747 115.229 -3.34768 63.2858 GPRESSURE: 3131400 4.56602 -79.3548 153.549 -121.705 -171.501 28.0687 89.8089 -15.875 13.5833 PRESSAVG: 3131400 -25.9802 -56.8671 22.0751 -56.867 -15.8944 28.3335 22.0751 28.3335 31.4755 GPRESSAVG: 3131400 -26.8191 -54.9105 20.6488 -57.3528 -14.7943 28.2848 22.9675 29.4005 30.8922 TIMING: 3131400 CPU: 9090.37, 0.00290414/step Wall: 9090.37, 0.00290414/step, 1.50741 hours remaining, 207.761719 MB of memory in use. ENERGY: 3131400 735.1738 2058.6542 1962.9290 117.4738 -206037.2336 17913.9547 0.0000 0.0000 34273.2758 -148975.7723 299.3170 -183249.0481 -148882.4099 299.1836 -81.0790 -51.1173 560046.3682 -3.4664 -3.5737 PRESSURE: 3131600 -55.3557 83.5301 107.018 83.5306 -113.938 89.6177 107.017 89.6178 -184.332 GPRESSURE: 3131600 -38.3727 151.667 38.6917 35.8154 -97.2586 32.189 130.107 88.0955 -124.687 PRESSAVG: 3131600 1.00542 16.4585 8.8318 16.4586 -33.6438 8.85474 8.83175 8.8547 59.3949 GPRESSAVG: 3131600 1.00392 15.8518 9.34057 15.8151 -33.2564 9.8296 10.245 7.51951 59.1397 TIMING: 3131600 CPU: 9090.95, 0.00288844/step Wall: 9090.95, 0.00288844/step, 1.4991 hours remaining, 207.761719 MB of memory in use. ENERGY: 3131600 754.6773 2077.4308 1968.6977 122.5631 -205934.5700 17791.6227 0.0000 0.0000 34268.5517 -148951.0266 299.2758 -183219.5783 -148857.3055 299.6625 -117.8751 -86.7727 561180.4946 8.9188 8.9624 PRESSURE: 3131800 164.845 -92.9332 -6.61429 -92.9335 -325.174 -40.0578 -6.61403 -40.058 -164.436 GPRESSURE: 3131800 177.274 -35.8493 -102.691 -36.9373 -323.592 51.3696 -56.3294 -145.573 -78.8195 PRESSAVG: 3131800 19.2425 -13.5772 -6.70336 -13.5772 -85.4247 27.3092 -6.70336 27.3092 38.2398 GPRESSAVG: 3131800 19.3046 -13.4751 -5.85671 -14.402 -85.0027 26.896 -8.46838 25.9988 37.7 TIMING: 3131800 CPU: 9091.53, 0.00292191/step Wall: 9091.53, 0.00292191/step, 1.51631 hours remaining, 207.761719 MB of memory in use. ENERGY: 3131800 745.9130 2131.8335 1988.2645 124.2056 -205768.5219 17629.9525 0.0000 0.0000 34164.8301 -148983.5228 298.3700 -183148.3529 -148892.6217 299.4154 -108.2550 -75.0460 559151.6892 -9.3141 -9.3327 PRESSURE: 3132000 -199.953 81.7192 19.6165 81.7181 -157.001 6.41667 19.616 6.41767 -37.8291 GPRESSURE: 3132000 -149.876 82.4732 -27.4023 54.0507 -171.492 -36.322 64.3068 1.80436 21.8644 PRESSAVG: 3132000 84.4274 13.005 1.39655 13.0051 -78.8837 14.8287 1.39659 14.8286 -16.0832 GPRESSAVG: 3132000 83.887 12.3705 -0.150763 13.7574 -78.302 14.8621 3.18783 15.0754 -15.5209 TIMING: 3132000 CPU: 9092.11, 0.00290496/step Wall: 9092.11, 0.00290497/step, 1.50735 hours remaining, 207.761719 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: 3132000 778.6824 2145.5405 1932.8504 112.8815 -205902.5288 17754.3133 0.0000 0.0000 34115.8306 -149062.4301 297.9420 -183178.2607 -148969.3404 298.7745 -131.5945 -99.8344 559523.8292 -3.5132 -3.3120 PRESSURE: 3132200 75.3518 12.4593 -148.873 12.4593 -284.264 -118.927 -148.872 -118.926 11.1242 GPRESSURE: 3132200 84.5703 -69.3045 -145.337 107.473 -248.217 -135.453 -135.042 -127.339 71.7169 PRESSAVG: 3132200 60.1581 -2.44877 5.7144 -2.44878 -23.9768 29.0134 5.71436 29.0134 0.401094 GPRESSAVG: 3132200 60.2523 -2.90554 7.12111 -1.77653 -24.2556 27.7102 3.30783 31.0035 0.640678 TIMING: 3132200 CPU: 9092.69, 0.00289902/step Wall: 9092.69, 0.00289902/step, 1.50411 hours remaining, 207.761719 MB of memory in use. ENERGY: 3132200 744.6408 2108.8207 1951.5451 106.0931 -206001.4466 17690.3898 0.0000 0.0000 34366.5964 -149033.3606 300.1320 -183399.9571 -148932.6062 299.4294 -65.9294 -30.6432 558641.6744 12.1941 12.2125 LDB: ============= START OF LOAD BALANCING ============== 9096.16 LDB: ============== END OF LOAD BALANCING =============== 9096.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9096.16 LDB: ============= START OF LOAD BALANCING ============== 9096.45 LDB: Largest compute 4848 load 0.030781 is 26.1% of average load 0.117779 LDB: Average compute 0.001704 is 1.4% of average load 0.117779 LDB: TIME 9096.45 LOAD: AVG 0.117779 MAX 0.177468 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 9096.45 LOAD: AVG 0.117779 MAX 0.177468 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: TIME 9096.45 LOAD: AVG 0.117779 MAX 0.177468 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.363 MB LDB: ============== END OF LOAD BALANCING =============== 9096.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9096.46 PRESSURE: 3132400 -23.4972 -7.55294 128.673 -7.55404 -178.17 -151.14 128.674 -151.14 -259.508 GPRESSURE: 3132400 9.58378 -81.8624 206.838 72.2625 -139.645 -49.8245 105.153 -160.542 -240.35 PRESSAVG: 3132400 -28.9438 45.5085 -48.4792 45.5084 6.62318 -30.7059 -48.4792 -30.7057 8.77862 GPRESSAVG: 3132400 -28.1796 46.0147 -48.7008 43.8482 5.70437 -28.6237 -48.1981 -31.2151 9.09692 TIMING: 3132400 CPU: 9093.28, 0.00294799/step Wall: 9093.28, 0.00294799/step, 1.52935 hours remaining, 208.832031 MB of memory in use. ENERGY: 3132400 780.1894 2060.2354 1940.6315 119.0636 -205700.8136 17604.7362 0.0000 0.0000 34232.1456 -148963.8119 298.9578 -183195.9575 -148868.2873 299.8390 -153.7249 -123.4703 559131.8030 -4.5140 -4.4594 PRESSURE: 3132600 140.913 -152.618 110.394 -152.619 4.38359 26.1403 110.393 26.1407 308.606 GPRESSURE: 3132600 248.322 -152.747 167.32 -159.109 17.6101 -40.4884 0.483418 70.5616 274.057 PRESSAVG: 3132600 0.575167 -24.0911 -25.7903 -24.0911 -37.064 -36.6857 -25.7902 -36.6856 44.987 GPRESSAVG: 3132600 0.803554 -24.4211 -25.2995 -23.7032 -36.3926 -39.009 -27.1375 -35.8722 43.0852 TIMING: 3132600 CPU: 9093.86, 0.00288026/step Wall: 9093.86, 0.00288026/step, 1.49406 hours remaining, 209.035156 MB of memory in use. ENERGY: 3132600 741.9340 2116.9958 1970.0215 112.0546 -206259.0143 18090.9564 0.0000 0.0000 34164.2801 -149062.7719 298.3652 -183227.0520 -148966.7691 299.8487 151.3009 179.9964 557441.3246 2.8327 2.4987 PRESSURE: 3132800 -327.376 -77.4128 71.1086 -77.4143 -340.742 15.8736 71.1082 15.8751 -444.616 GPRESSURE: 3132800 -229.624 3.7044 85.9007 -65.3318 -308.486 -85.2828 -6.12357 114.759 -466.527 PRESSAVG: 3132800 -17.0202 -29.4611 -9.49679 -29.4612 7.57416 -6.76348 -9.49684 -6.76351 -7.72423 GPRESSAVG: 3132800 -17.2382 -28.7747 -10.5621 -27.0124 7.41756 -5.71134 -8.49497 -6.0988 -7.18104 TIMING: 3132800 CPU: 9094.44, 0.0028938/step Wall: 9094.44, 0.0028938/step, 1.50092 hours remaining, 209.035156 MB of memory in use. ENERGY: 3132800 791.8081 2046.4806 1959.8585 110.0924 -205746.6361 17485.9560 0.0000 0.0000 34150.3220 -149202.1185 298.2433 -183352.4405 -149106.9511 298.5756 -370.9115 -334.8789 559676.3858 -5.7234 -5.6672 PRESSURE: 3133000 21.5753 98.233 -30.3283 98.2318 -95.7728 16.2991 -30.3302 16.2981 88.3371 GPRESSURE: 3133000 58.6929 31.0204 34.8256 87.9841 -51.4942 -3.48319 -5.26821 57.2067 94.907 PRESSAVG: 3133000 -23.6347 7.32028 -16.4003 7.32023 -48.6847 45.7165 -16.4002 45.7166 100.667 GPRESSAVG: 3133000 -23.8122 8.19501 -17.0402 6.55808 -48.8963 44.3518 -13.5895 46.7457 101.086 TIMING: 3133000 CPU: 9095.02, 0.00290529/step Wall: 9095.02, 0.00290529/step, 1.50672 hours remaining, 209.035156 MB of memory in use. ENERGY: 3133000 738.5704 2091.1782 1999.0225 126.0773 -206162.6979 17913.7615 0.0000 0.0000 34139.7615 -149154.3264 298.1510 -183294.0880 -149059.1637 299.6103 4.7132 34.0352 558702.5088 9.4491 9.4593 PRESSURE: 3133200 -58.1 -70.3114 115.038 -70.3092 -148.042 -80.8457 115.039 -80.8456 -221.844 GPRESSURE: 3133200 -8.70629 -92.8597 166.93 -35.1662 -98.0526 -55.5903 65.6519 -57.6563 -220.478 PRESSAVG: 3133200 -77.9395 16.36 79.1779 16.3599 16.6632 14.5696 79.1779 14.5697 20.2188 GPRESSAVG: 3133200 -77.1852 14.4263 80.5188 19.089 17.5076 17.2496 77.7433 9.91594 19.1888 TIMING: 3133200 CPU: 9095.6, 0.00290755/step Wall: 9095.6, 0.00290755/step, 1.50773 hours remaining, 209.035156 MB of memory in use. ENERGY: 3133200 770.5568 2205.0042 1958.0262 106.3215 -206411.1902 17850.9983 0.0000 0.0000 34235.7855 -149284.4977 298.9896 -183520.2832 -149183.7772 299.1601 -142.6620 -109.0790 557681.1531 -13.6858 -13.4963 PRESSURE: 3133400 -273.722 -42.8579 170.523 -42.8599 -329.491 170.463 170.521 170.464 -345.959 GPRESSURE: 3133400 -284.188 -28.3958 173.094 52.9172 -326.513 106.03 257.309 128.979 -236.145 PRESSAVG: 3133400 -54.5563 -20.4478 67.5986 -20.4479 19.3908 -18.1738 67.5986 -18.1737 57.5088 GPRESSAVG: 3133400 -53.9578 -21.4416 65.8891 -22.0266 18.8875 -19.9141 69.15 -16.1689 57.7796 TIMING: 3133400 CPU: 9096.18, 0.00290485/step Wall: 9096.18, 0.00290485/step, 1.50617 hours remaining, 209.035156 MB of memory in use. ENERGY: 3133400 806.0100 2091.9503 1954.0143 110.3536 -205838.7906 17426.1696 0.0000 0.0000 34221.8874 -149228.4054 298.8683 -183450.2928 -149121.4723 299.3918 -316.3905 -282.2818 560385.5748 7.4478 7.5697 PRESSURE: 3133600 113.344 69.9288 126.84 69.9308 275.573 -95.8384 126.84 -95.8371 -233.85 GPRESSURE: 3133600 172.734 34.031 96.7787 51.7683 284.006 -152.699 144.932 -109.738 -215.503 PRESSAVG: 3133600 -12.0335 8.85907 32.4143 8.85905 -24.7275 23.0713 32.4143 23.0714 5.5414 GPRESSAVG: 3133600 -12.9677 11.2939 34.0466 7.27095 -25.1264 25.3188 28.4888 23.3857 7.22306 TIMING: 3133600 CPU: 9096.76, 0.0029081/step Wall: 9096.76, 0.0029081/step, 1.50769 hours remaining, 209.035156 MB of memory in use. ENERGY: 3133600 724.1735 2058.1429 1947.5423 121.6051 -206551.5116 18018.9055 0.0000 0.0000 34376.4989 -149304.6434 300.2185 -183681.1423 -149210.3342 298.7462 51.6888 80.4124 558895.1988 -10.4066 -10.2904 PRESSURE: 3133800 101.239 32.3764 159.865 32.3751 -143.201 -47.2759 159.865 -47.2762 -327.953 GPRESSURE: 3133800 148.063 100.814 114.857 29.9411 -146.337 -67.5711 248.057 -37.7596 -287.67 PRESSAVG: 3133800 25.1031 4.15637 111.135 4.15642 -5.028 -33.3882 111.135 -33.3882 1.73915 GPRESSAVG: 3133800 25.5946 4.21158 109.208 4.42743 -5.35496 -34.4908 113.863 -34.1313 1.43366 TIMING: 3133800 CPU: 9097.34, 0.00287915/step Wall: 9097.34, 0.00287915/step, 1.49252 hours remaining, 209.035156 MB of memory in use. ENERGY: 3133800 753.1227 2135.0586 1950.8318 107.2186 -206228.8106 17703.2608 0.0000 0.0000 34277.0615 -149302.2567 299.3501 -183579.3182 -149209.8145 299.3949 -123.3051 -95.3148 558733.6002 7.2714 7.2244 PRESSURE: 3134000 183.504 132.669 115.232 132.671 90.0313 -129.316 115.23 -129.315 207.907 GPRESSURE: 3134000 184.396 100.853 104.193 174.648 164.194 -84.9042 129.845 -142.471 237.068 PRESSAVG: 3134000 -65.7328 -5.70799 53.6934 -5.7081 60.3341 -41.7417 53.6935 -41.7417 -6.32433 GPRESSAVG: 3134000 -65.0644 -8.11277 56.3925 -5.92477 61.6887 -40.8754 51.9362 -41.1221 -7.59515 TIMING: 3134000 CPU: 9097.91, 0.00288443/step Wall: 9097.91, 0.00288444/step, 1.4951 hours remaining, 209.035156 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 765.4043 2106.6759 1956.3185 133.2791 -206876.2831 18307.1940 0.0000 0.0000 34262.2090 -149345.2023 299.2204 -183607.4114 -149248.0323 298.1007 160.4808 195.2193 558185.8386 -3.9077 -3.6569 PRESSURE: 3134200 -83.2595 42.7572 209.949 42.756 195.689 -108.21 209.95 -108.21 -43.5913 GPRESSURE: 3134200 -40.9763 74.6705 227.951 40.7358 276.619 -109.963 154.701 -113.844 -80.381 PRESSAVG: 3134200 -13.587 72.3774 12.5452 72.3775 62.8167 34.3718 12.5452 34.3716 -82.3142 GPRESSAVG: 3134200 -14.5923 74.4543 12.4474 72.1265 62.9298 33.9942 12.4584 34.4073 -80.8646 TIMING: 3134200 CPU: 9098.5, 0.00292425/step Wall: 9098.5, 0.00292425/step, 1.51557 hours remaining, 209.035156 MB of memory in use. ENERGY: 3134200 727.8731 2085.0641 1954.3932 118.7825 -206271.3566 17940.5302 0.0000 0.0000 34079.0593 -149365.6542 297.6209 -183444.7135 -149272.5952 297.8824 22.9460 51.7539 557478.2030 -11.0282 -10.8424 PRESSURE: 3134400 -194.284 116.887 -110.935 116.886 7.55884 147.056 -110.934 147.055 -172.275 GPRESSURE: 3134400 -185.978 81.8265 -224.018 128.25 23.8473 241.42 -17.7607 66.2736 -89.9166 PRESSAVG: 3134400 -40.8364 -21.5385 20.5417 -21.5385 52.3659 -4.6039 20.5418 -4.60379 -13.2659 GPRESSAVG: 3134400 -40.9284 -22.6882 19.2147 -19.8434 52.2424 -5.64709 22.3946 -5.72789 -12.9383 TIMING: 3134400 CPU: 9099.08, 0.00289807/step Wall: 9099.08, 0.00289807/step, 1.50185 hours remaining, 209.035156 MB of memory in use. ENERGY: 3134400 760.9661 2076.6810 1946.1659 99.3106 -206150.4129 17604.9730 0.0000 0.0000 34230.3416 -149431.9747 298.9421 -183662.3163 -149335.5997 298.5732 -119.6665 -84.0157 556684.7286 -0.5788 -0.5414 PRESSURE: 3134600 69.3849 29.4489 26.7966 29.4482 174.98 85.0428 26.7968 85.042 -119.585 GPRESSURE: 3134600 104.38 48.9532 4.64052 29.8593 224.07 73.5912 9.05502 137.949 -101.275 PRESSAVG: 3134600 -10.9486 10.4729 -7.635 10.4728 33.3855 4.35661 -7.635 4.35658 13.428 GPRESSAVG: 3134600 -10.0924 10.9775 -3.82497 9.11313 33.3843 5.21859 -9.19679 3.2714 12.1219 TIMING: 3134600 CPU: 9099.66, 0.00293223/step Wall: 9099.66, 0.00293223/step, 1.51938 hours remaining, 209.035156 MB of memory in use. ENERGY: 3134600 728.7082 2051.5673 1982.5580 121.6971 -206756.3450 18109.7448 0.0000 0.0000 34229.6092 -149532.4604 298.9357 -183762.0696 -149430.9737 298.5441 41.5933 75.7249 558313.2210 11.9550 11.8046 PRESSURE: 3134800 -156.466 2.08598 -167.432 2.08693 -202.527 67.8698 -167.431 67.8705 -416.869 GPRESSURE: 3134800 -146.833 18.9585 -67.9689 38.566 -156.802 33.1789 -182.659 98.1936 -374.864 PRESSAVG: 3134800 -5.64316 49.0937 37.915 49.0937 20.1626 46.719 37.915 46.7191 -2.1569 GPRESSAVG: 3134800 -6.6006 50.0461 34.0359 48.8271 20.1228 46.3929 38.4592 48.1634 -1.5045 TIMING: 3134800 CPU: 9100.25, 0.00292121/step Wall: 9100.25, 0.00292121/step, 1.51351 hours remaining, 209.035156 MB of memory in use. ENERGY: 3134800 768.4700 2077.3494 1971.1815 113.7820 -206397.1608 17565.8363 0.0000 0.0000 34306.4443 -149594.0974 299.6067 -183900.5417 -149491.6725 298.1613 -258.6205 -226.1662 556859.3316 4.1208 4.0059 PRESSURE: 3135000 81.8911 -229.733 109.023 -229.733 20.0833 289.981 109.022 289.982 -211.589 GPRESSURE: 3135000 85.5243 -200.695 131.154 -238 65.859 226.403 85.7855 250.672 -169.388 PRESSAVG: 3135000 -14.7379 15.0601 25.9758 15.0601 88.528 35.6699 25.9759 35.6699 -52.0057 GPRESSAVG: 3135000 -13.3261 13.3478 27.9154 15.316 89.6864 36.7127 26.0512 34.2407 -54.3553 TIMING: 3135000 CPU: 9100.83, 0.00292506/step Wall: 9100.83, 0.00292506/step, 1.51534 hours remaining, 209.035156 MB of memory in use. ENERGY: 3135000 701.7553 2058.9535 1980.2746 100.4185 -206409.1443 17879.8177 0.0000 0.0000 34123.3875 -149564.5372 298.0080 -183687.9246 -149462.7372 297.5525 -36.5381 -6.0017 557099.9421 7.2614 7.3350 PRESSURE: 3135200 -14.731 -110.437 48.2675 -110.436 -129.262 -86.099 48.2687 -86.0989 131.949 GPRESSURE: 3135200 36.414 -123.46 69.0677 -105.37 -118.779 -45.9871 10.8276 -109.261 168.557 PRESSAVG: 3135200 -60.0605 -13.3999 14.7566 -13.3999 -2.4732 4.66161 14.7566 4.66167 60.6604 GPRESSAVG: 3135200 -61.5079 -11.9071 13.9947 -12.4678 -2.95506 3.57873 15.4747 5.54729 62.0592 TIMING: 3135200 CPU: 9101.41, 0.00289086/step Wall: 9101.41, 0.00289086/step, 1.49747 hours remaining, 209.035156 MB of memory in use. ENERGY: 3135200 759.7772 2100.7809 1937.9289 122.8979 -206393.3581 17804.3265 0.0000 0.0000 34062.3670 -149605.2797 297.4751 -183667.6467 -149516.4964 297.8545 -4.0145 28.7306 556350.9462 -0.6245 -0.8012 PRESSURE: 3135400 -35.8117 16.3133 13.5961 16.3137 -84.0782 68.5434 13.5953 68.5425 -48.3889 GPRESSURE: 3135400 41.1823 75.4785 -23.0926 -72.4327 -110.742 25.5885 2.38626 54.8072 -6.40225 PRESSAVG: 3135400 35.9251 -38.3882 -26.3087 -38.3883 -68.6258 80.7685 -26.3086 80.7686 11.4272 GPRESSAVG: 3135400 36.1192 -38.2044 -26.4331 -39.9363 -69.6178 79.4511 -27.8527 81.3131 12.3043 TIMING: 3135400 CPU: 9101.99, 0.00290372/step Wall: 9101.99, 0.00290372/step, 1.50396 hours remaining, 209.035156 MB of memory in use. ENERGY: 3135400 758.6791 2136.2500 1951.5165 114.1710 -206378.2482 17716.3624 0.0000 0.0000 34204.8841 -149496.3851 298.7198 -183701.2692 -149395.0895 297.6563 -56.0929 -25.3207 556583.7293 -7.0912 -7.0648 PRESSURE: 3135600 -178.817 80.3327 -68.4986 80.3334 -141.679 25.3338 -68.4975 25.3349 87.8565 GPRESSURE: 3135600 -129.126 47.0251 -155.48 41.8247 -134.854 1.04234 -3.45793 8.0404 135.08 PRESSAVG: 3135600 -12.641 40.4943 -18.9908 40.4944 -4.05451 -43.7115 -18.9908 -43.7114 14.8713 GPRESSAVG: 3135600 -13.7616 39.3933 -17.6151 41.6743 -3.61332 -44.0784 -17.287 -43.4626 14.8426 TIMING: 3135600 CPU: 9102.57, 0.00289899/step Wall: 9102.57, 0.00289899/step, 1.50136 hours remaining, 209.035156 MB of memory in use. ENERGY: 3135600 758.7997 2112.6394 1945.2619 113.1794 -205995.2219 17705.4663 0.0000 0.0000 33941.7507 -149418.1245 296.4218 -183359.8752 -149319.2763 298.1849 -77.5462 -42.9668 558197.0441 -0.6081 -0.8441 PRESSURE: 3135800 -157.303 6.61125 -69.9326 6.61222 -343.079 38.6523 -69.9321 38.653 -30.8754 GPRESSURE: 3135800 -85.6796 30.5268 -106.084 -50.456 -284.2 18.2521 -119.526 95.61 -61.686 PRESSAVG: 3135800 65.9027 17.1321 13.7883 17.1321 -17.0015 15.7444 13.7882 15.7444 -25.4399 GPRESSAVG: 3135800 65.978 15.9975 11.8879 16.5859 -17.6192 17.4038 12.3903 15.3452 -24.9783 TIMING: 3135800 CPU: 9103.16, 0.00292998/step Wall: 9103.16, 0.00292998/step, 1.51724 hours remaining, 209.035156 MB of memory in use. ENERGY: 3135800 754.8278 2147.5175 1931.6737 96.2622 -205745.5306 17612.5484 0.0000 0.0000 34150.6566 -149052.0444 298.2462 -183202.7010 -148959.0283 299.1227 -177.0857 -143.8551 558706.9569 7.8204 7.7935 PRESSURE: 3136000 26.8712 -8.75177 -101.216 -8.75143 109.104 158.965 -101.215 158.964 -112.385 GPRESSURE: 3136000 51.6399 16.1974 -126.922 -45.7999 74.9952 210.073 -152.563 92.1809 -19.0823 PRESSAVG: 3136000 84.1633 -53.7805 -94.8767 -53.7805 -83.1069 33.4787 -94.8768 33.4785 0.660115 GPRESSAVG: 3136000 84.8151 -51.1188 -93.9586 -53.3111 -81.807 33.0852 -93.9658 34.1698 -0.898641 TIMING: 3136000 CPU: 9103.74, 0.0029291/step Wall: 9103.74, 0.0029291/step, 1.51662 hours remaining, 209.035156 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 721.5095 2123.5105 1985.3086 101.0253 -205690.4328 17618.1537 0.0000 0.0000 34160.2643 -148980.6608 298.3301 -183140.9251 -148882.1675 299.1001 7.8633 35.8509 557900.3006 0.5722 0.7031 PRESSURE: 3136200 -3.31246 -49.9256 48.6035 -49.9242 -297.433 48.8856 48.6022 48.885 74.5532 GPRESSURE: 3136200 66.8637 -54.8877 106.713 -106.32 -277.514 74.7649 30.1054 45.1271 78.6518 PRESSAVG: 3136200 -48.5862 -8.78406 18.2981 -8.78403 -37.0191 -20.5068 18.2983 -20.5069 31.199 GPRESSAVG: 3136200 -49.6256 -11.1895 19.2255 -8.60388 -38.1322 -20.2276 18.5541 -19.6564 32.7118 TIMING: 3136200 CPU: 9104.33, 0.00291175/step Wall: 9104.33, 0.00291175/step, 1.50748 hours remaining, 209.035156 MB of memory in use. ENERGY: 3136200 718.1077 2133.2574 1941.2098 117.8061 -205842.4467 17612.6648 0.0000 0.0000 34366.4239 -148952.9771 300.1305 -183319.4010 -148857.0431 299.1651 -75.3973 -43.9995 558191.5394 -18.1354 -18.3487 LDB: ============= START OF LOAD BALANCING ============== 9107.79 LDB: ============== END OF LOAD BALANCING =============== 9107.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9107.8 LDB: ============= START OF LOAD BALANCING ============== 9108.09 LDB: Largest compute 4848 load 0.029079 is 24.7% of average load 0.117735 LDB: Average compute 0.001707 is 1.4% of average load 0.117735 LDB: TIME 9108.09 LOAD: AVG 0.117735 MAX 0.179794 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 9108.09 LOAD: AVG 0.117735 MAX 0.179794 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: TIME 9108.09 LOAD: AVG 0.117735 MAX 0.179794 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9108.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9108.1 PRESSURE: 3136400 -522.055 -44.801 -176.337 -44.8017 -63.3621 49.6574 -176.337 49.6581 -109.571 GPRESSURE: 3136400 -450.071 70.0536 -219.715 -63.8488 -53.6458 16.3095 -61.806 136.396 -95.1716 PRESSAVG: 3136400 -38.5448 6.58571 -31.4381 6.58568 24.2738 2.23227 -31.4382 2.23233 3.62863 GPRESSAVG: 3136400 -37.0068 5.55701 -30.7584 6.15215 23.6465 3.30407 -32.5089 0.102524 2.92816 TIMING: 3136400 CPU: 9104.92, 0.00297793/step Wall: 9104.92, 0.00297793/step, 1.54158 hours remaining, 208.773438 MB of memory in use. ENERGY: 3136400 722.8721 2081.5856 1968.9180 128.2463 -205522.2322 17367.5982 0.0000 0.0000 34369.5364 -148883.4756 300.1577 -183253.0120 -148785.4924 299.8942 -231.6628 -199.6295 557890.5956 -3.5475 -3.4774 PRESSURE: 3136600 -148.352 47.2183 -106.367 47.2185 -101.331 101.177 -106.368 101.178 -273.072 GPRESSURE: 3136600 -120.203 84.4022 -62.9953 70.6549 -49.7902 -33.2628 -39.0503 141.301 -259.339 PRESSAVG: 3136600 -24.3571 1.1121 11.2148 1.11217 59.8902 -36.4104 11.2147 -36.4103 -20.685 GPRESSAVG: 3136600 -26.0379 3.57141 11.0852 0.696318 60.5822 -37.5389 11.691 -36.5482 -19.9214 TIMING: 3136600 CPU: 9105.51, 0.00293386/step Wall: 9105.51, 0.00293386/step, 1.5186 hours remaining, 209.101562 MB of memory in use. ENERGY: 3136600 782.9221 2067.1008 1951.1591 106.4420 -205698.9013 17524.4506 0.0000 0.0000 34418.4631 -148848.3636 300.5850 -183266.8267 -148752.7890 299.9638 -174.2517 -143.1109 557891.6165 4.9494 4.8743 PRESSURE: 3136800 -94.2165 -24.9504 -275.336 -24.9495 -42.3451 47.9817 -275.337 47.9827 -24.3049 GPRESSURE: 3136800 -45.8164 8.35896 -307.415 -30.164 -52.7401 43.9524 -208.353 56.5871 23.9389 PRESSAVG: 3136800 -29.6551 -13.0722 -51.5504 -13.0723 68.7552 40.6053 -51.5505 40.6052 13.0771 GPRESSAVG: 3136800 -28.8006 -13.647 -52.9286 -13.1598 68.4353 40.0482 -50.9644 42.6762 12.5444 TIMING: 3136800 CPU: 9106.1, 0.00293858/step Wall: 9106.1, 0.00293858/step, 1.52088 hours remaining, 209.101562 MB of memory in use. ENERGY: 3136800 779.1805 2169.3587 1962.4939 118.4328 -205634.1987 17470.1067 0.0000 0.0000 34387.9231 -148746.7030 300.3183 -183134.6262 -148652.5901 300.2477 -53.6221 -24.8725 556986.1419 17.3924 17.3930 PRESSURE: 3137000 401.103 -118.277 91.5674 -118.277 129.726 19.7815 91.5682 19.7818 20.9444 GPRESSURE: 3137000 430.566 -107.324 35.087 -177.807 151.64 -34.6235 177.786 -44.2741 65.6649 PRESSAVG: 3137000 -6.42708 7.01968 -20.1889 7.0197 -27.231 44.2279 -20.1889 44.228 -3.61611 GPRESSAVG: 3137000 -6.89769 7.03005 -18.6673 9.21622 -27.3941 45.431 -21.3187 42.0364 -2.8485 TIMING: 3137000 CPU: 9106.68, 0.00289099/step Wall: 9106.68, 0.00289099/step, 1.49609 hours remaining, 209.101562 MB of memory in use. ENERGY: 3137000 744.1149 2092.2644 1931.7401 119.7904 -206317.9644 18088.8491 0.0000 0.0000 34493.5727 -148847.6328 301.2409 -183341.2055 -148744.2296 300.6893 183.9244 215.9572 556113.8181 -12.4247 -12.3801 PRESSURE: 3137200 -30.0086 -141.881 19.8724 -141.88 188.774 -8.87736 19.872 -8.8781 -60.3776 GPRESSURE: 3137200 48.4452 -80.5698 20.0157 -134.022 227.961 -44.6913 -74.5892 -43.2203 -78.4107 PRESSAVG: 3137200 -27.649 -29.1027 -9.18791 -29.1027 91.5887 -0.159989 -9.18807 -0.16002 -73.5711 GPRESSAVG: 3137200 -27.5178 -26.5945 -8.77629 -30.5941 93.374 -0.727398 -9.05083 1.648 -76.4613 TIMING: 3137200 CPU: 9107.26, 0.00291115/step Wall: 9107.26, 0.00291115/step, 1.50636 hours remaining, 209.101562 MB of memory in use. ENERGY: 3137200 779.0665 2108.5314 1942.1478 109.4063 -205772.5406 17716.3163 0.0000 0.0000 34233.7038 -148883.3685 298.9715 -183117.0723 -148789.4342 300.5598 32.7958 65.9986 557407.2237 -3.2105 -3.5351 PRESSURE: 3137400 288.013 93.3463 26.224 93.3474 71.6637 -89.9592 26.225 -89.9584 178.14 GPRESSURE: 3137400 294.524 36.4917 46.2761 60.3864 98.8019 -175.057 29.2931 -85.4715 239.616 PRESSAVG: 3137400 -70.1034 59.9055 -70.5911 59.9054 57.1613 -18.9919 -70.5911 -18.9919 14.4748 GPRESSAVG: 3137400 -70.6422 58.3242 -70.4372 61.4126 54.7029 -17.0704 -71.1143 -20.967 16.7236 TIMING: 3137400 CPU: 9107.85, 0.00293845/step Wall: 9107.85, 0.00293845/step, 1.52032 hours remaining, 209.101562 MB of memory in use. ENERGY: 3137400 774.3904 2127.2327 1951.5851 116.7838 -206225.8979 18108.5065 0.0000 0.0000 34222.7592 -148924.6402 298.8759 -183147.3994 -148830.9917 300.0536 179.2721 210.9806 558481.9673 0.5109 0.2614 PRESSURE: 3137600 53.558 102.089 -44.4808 102.088 -29.2403 -77.7611 -44.4791 -77.7614 89.7198 GPRESSURE: 3137600 67.1603 82.7964 -27.2666 88.966 13.4803 -101.455 -49.1714 -113.351 140.351 PRESSAVG: 3137600 11.8706 11.8159 28.7785 11.8159 24.0785 -15.061 28.7786 -15.0612 -20.9126 GPRESSAVG: 3137600 11.7284 11.3822 27.2483 10.7459 24.0315 -15.7522 29.4644 -14.9778 -21.0416 TIMING: 3137600 CPU: 9108.43, 0.00292155/step Wall: 9108.43, 0.00292155/step, 1.51141 hours remaining, 209.101562 MB of memory in use. ENERGY: 3137600 739.3645 2102.3247 1934.0044 135.7718 -206019.5271 17840.4333 0.0000 0.0000 34375.4952 -148892.1332 300.2097 -183267.6284 -148789.7478 299.9691 38.0125 73.6640 557831.8271 5.0122 4.9061 PRESSURE: 3137800 -380.158 -56.3469 146.611 -56.3468 -141.89 -108.17 146.612 -108.17 -176.419 GPRESSURE: 3137800 -346.856 -7.69884 163.527 -68.9705 -112.059 -91.7706 104.362 -69.4597 -133.963 PRESSAVG: 3137800 72.4533 -26.1619 27.0776 -26.1619 1.5434 16.7443 27.0776 16.7443 -80.8982 GPRESSAVG: 3137800 72.1931 -23.9605 27.0645 -28.4159 2.23036 16.3831 25.7981 17.9411 -81.4321 TIMING: 3137800 CPU: 9109.01, 0.00291183/step Wall: 9109.01, 0.00291183/step, 1.50622 hours remaining, 209.101562 MB of memory in use. ENERGY: 3137800 736.7997 2136.1529 1937.5564 109.9918 -205783.6080 17473.9379 0.0000 0.0000 34378.1970 -149010.9724 300.2333 -183389.1694 -148907.6511 299.8701 -232.8224 -197.6259 558941.4460 -2.3005 -2.3362 PRESSURE: 3138000 123.827 -99.4499 -67.3733 -99.4515 20.89 -195.239 -67.3735 -195.239 -314.101 GPRESSURE: 3138000 203.45 -144.044 -117.81 87.8363 29.7981 -208.897 -7.55805 -120.779 -281.569 PRESSAVG: 3138000 31.5934 -13.3817 26.7355 -13.3817 49.1834 -77.3769 26.7355 -77.3768 -66.8521 GPRESSAVG: 3138000 32.2802 -13.2814 26.3961 -13.0462 48.9918 -78.1812 26.8521 -78.6514 -66.9645 TIMING: 3138000 CPU: 9109.59, 0.00291395/step Wall: 9109.59, 0.00291395/step, 1.50716 hours remaining, 209.101562 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: 3138000 720.8806 2100.4649 1978.5354 122.8508 -206164.5252 17833.6415 0.0000 0.0000 34312.5841 -149095.5678 299.6603 -183408.1519 -148997.3279 299.5411 -56.4612 -16.1070 558547.6539 4.6416 4.7692 PRESSURE: 3138200 225.152 -39.081 -60.6068 -39.0804 71.8272 97.5373 -60.605 97.538 56.195 GPRESSURE: 3138200 213.457 -78.807 -74.5511 1.38479 104.349 117.395 -45.9703 35.4951 123.294 PRESSAVG: 3138200 73.7082 53.3775 8.71129 53.3776 -35.6602 -10.6487 8.71134 -10.6488 -74.3475 GPRESSAVG: 3138200 72.8209 50.7669 9.62945 54.4364 -35.2386 -12.7161 9.19907 -10.1883 -74.378 TIMING: 3138200 CPU: 9110.18, 0.00292866/step Wall: 9110.18, 0.00292865/step, 1.5146 hours remaining, 209.101562 MB of memory in use. ENERGY: 3138200 725.4097 2087.6827 1967.2755 120.5921 -206362.6105 17905.1226 0.0000 0.0000 34381.6768 -149174.8511 300.2637 -183556.5278 -149078.2861 299.2883 117.7248 147.0334 557185.8794 -12.0999 -12.2652 PRESSURE: 3138400 -169.76 -1.08939 60.916 -1.0906 -125.426 122.407 60.9159 122.407 -390.66 GPRESSURE: 3138400 -166.85 108.424 40.9905 -194.52 -57.8298 4.27963 22.7401 45.821 -352.725 PRESSAVG: 3138400 27.2333 -7.84084 13.2772 -7.84073 5.55625 -23.3822 13.2772 -23.3822 25.6763 GPRESSAVG: 3138400 28.5981 -8.09659 13.9129 -7.91854 5.99015 -21.2151 12.2798 -23.0467 24.452 TIMING: 3138400 CPU: 9110.77, 0.00292624/step Wall: 9110.77, 0.00292624/step, 1.51319 hours remaining, 209.101562 MB of memory in use. ENERGY: 3138400 762.2100 2094.5814 1956.7405 102.4396 -206001.1563 17636.0683 0.0000 0.0000 34233.9329 -149215.1837 298.9735 -183449.1165 -149122.7844 299.8711 -228.6156 -192.4684 558446.5131 19.4886 19.6801 PRESSURE: 3138600 -90.1521 171.809 56.1179 171.808 -259.737 -11.0272 56.1177 -11.0273 -82.6654 GPRESSURE: 3138600 -62.5385 70.897 -12.729 173.792 -230.267 -28.7298 95.4096 -65.8457 -40.9021 PRESSAVG: 3138600 -10.0521 23.5706 59.9874 23.5706 -30.3643 17.0624 59.9874 17.0623 31.8832 GPRESSAVG: 3138600 -11.1092 24.4261 61.2605 24.5492 -30.6954 16.483 62.3701 16.1729 33.1954 TIMING: 3138600 CPU: 9111.35, 0.00290627/step Wall: 9111.35, 0.00290627/step, 1.5027 hours remaining, 209.101562 MB of memory in use. ENERGY: 3138600 752.7517 2091.0895 1944.4426 95.2158 -206296.5965 17728.3053 0.0000 0.0000 34440.2537 -149244.5378 300.7753 -183684.7915 -149149.9188 299.3087 -144.1847 -111.2359 557429.6179 -2.8444 -2.8697 PRESSURE: 3138800 -138.045 -78.817 78.9618 -78.8167 -23.3856 -30.1247 78.9624 -30.1253 -242.574 GPRESSURE: 3138800 -107.771 -54.8772 82.46 -68.0571 0.146546 -24.9338 70.169 -0.931836 -193.516 PRESSAVG: 3138800 -22.4801 -12.8235 49.1457 -12.8235 -0.626493 51.6812 49.1456 51.6813 32.5489 GPRESSAVG: 3138800 -22.0735 -12.7879 47.8671 -13.0071 -0.513182 51.6033 49.1256 51.2259 31.6211 TIMING: 3138800 CPU: 9111.92, 0.0028643/step Wall: 9111.92, 0.0028643/step, 1.48084 hours remaining, 209.101562 MB of memory in use. ENERGY: 3138800 721.7912 2114.0191 1936.6962 106.0875 -205924.7403 17668.4368 0.0000 0.0000 34252.3130 -149125.3965 299.1340 -183377.7095 -149030.6971 299.7505 -134.6685 -100.3802 557847.3807 3.1474 3.0115 PRESSURE: 3139000 108.638 141.722 79.0324 141.722 3.02878 53.5317 79.0315 53.531 128.106 GPRESSURE: 3139000 93.9616 84.7861 2.65677 153.251 96.5603 13.2274 91.3137 65.0357 147.902 PRESSAVG: 3139000 46.7574 -0.0525924 -3.9713 -0.0527054 -41.4444 -0.511784 -3.97123 -0.511714 12.4378 GPRESSAVG: 3139000 46.0216 -1.61779 -6.17955 1.43848 -41.9986 0.537358 -4.71631 -0.183346 14.1516 TIMING: 3139000 CPU: 9112.5, 0.00290423/step Wall: 9112.5, 0.00290423/step, 1.50133 hours remaining, 209.101562 MB of memory in use. ENERGY: 3139000 751.8254 2061.9679 1933.8135 102.4977 -206335.7448 17955.0244 0.0000 0.0000 34267.1230 -149263.4929 299.2633 -183530.6160 -149166.1720 299.1399 79.9241 112.8078 556191.6934 5.9169 6.0582 PRESSURE: 3139200 -108.383 29.4353 -115.711 29.4369 -100.319 66.843 -115.712 66.8422 53.069 GPRESSURE: 3139200 -77.599 6.59775 -215.631 -20.6 -118.512 146.257 -113.429 13.2109 133.152 PRESSAVG: 3139200 25.9695 -45.0342 20.26 -45.0342 3.70613 -40.7832 20.2601 -40.7831 3.87464 GPRESSAVG: 3139200 26.8671 -41.8799 21.8099 -49.087 3.97896 -43.6092 20.2796 -39.0262 2.23484 TIMING: 3139200 CPU: 9113.08, 0.00289776/step Wall: 9113.08, 0.00289776/step, 1.49782 hours remaining, 209.101562 MB of memory in use. ENERGY: 3139200 719.5012 2126.6073 1981.2926 119.9104 -205933.6644 17599.6351 0.0000 0.0000 34142.1983 -149244.5197 298.1723 -183386.7180 -149147.1604 299.1075 -51.8775 -20.9863 557695.5637 11.1834 11.0270 PRESSURE: 3139400 -217.347 83.4811 -219.671 83.48 -4.38833 -139.108 -219.672 -139.105 -65.4663 GPRESSURE: 3139400 -193.034 70.5366 -266.267 148.244 25.004 -118.995 -243.378 -72.5463 -27.1654 PRESSAVG: 3139400 -46.9212 -2.40042 -56.4981 -2.40047 34.9314 -3.69253 -56.4982 -3.69243 17.8713 GPRESSAVG: 3139400 -46.9765 -3.63629 -55.0883 -0.528403 34.8856 -2.61056 -58.7963 -2.9846 17.8953 TIMING: 3139400 CPU: 9113.66, 0.00289996/step Wall: 9113.66, 0.00289996/step, 1.4988 hours remaining, 209.101562 MB of memory in use. ENERGY: 3139400 695.5825 2124.8555 1946.9877 110.7040 -205946.4385 17510.5810 0.0000 0.0000 34352.4750 -149205.2528 300.0087 -183557.7278 -149106.2213 298.9497 -95.7339 -65.0652 557577.5205 1.9605 1.9348 PRESSURE: 3139600 -64.3937 -131.609 60.3371 -131.608 121.687 42.5559 60.3378 42.556 128.251 GPRESSURE: 3139600 -37.1243 -148.319 77.982 -175.235 208.482 15.4479 93.7051 26.602 110.055 PRESSAVG: 3139600 -103.292 -11.5746 20.7878 -11.5746 28.9121 -12.1539 20.7878 -12.154 97.0273 GPRESSAVG: 3139600 -103.166 -9.74908 18.7941 -12.3763 28.3336 -12.454 23.4998 -11.2887 97.5647 TIMING: 3139600 CPU: 9114.25, 0.00292711/step Wall: 9114.25, 0.00292711/step, 1.51267 hours remaining, 209.101562 MB of memory in use. ENERGY: 3139600 739.9089 2078.3574 1947.4109 109.3656 -206348.8756 18012.2860 0.0000 0.0000 34263.7172 -149197.8295 299.2336 -183461.5467 -149110.2118 298.8389 61.8479 93.8042 557040.3141 7.5490 7.5775 PRESSURE: 3139800 93.8506 -148.581 -130.156 -148.581 213.771 -5.73396 -130.155 -5.73263 133.278 GPRESSURE: 3139800 151.871 -118.483 -160.047 -166.386 194.094 -32.7282 -112.096 97.2653 185.353 PRESSAVG: 3139800 -60.8384 -34.4994 -17.5972 -34.4994 35.081 16.9154 -17.5971 16.9155 29.766 GPRESSAVG: 3139800 -61.651 -34.6519 -17.4986 -35.0187 37.0561 17.177 -18.0586 15.0199 29.1775 TIMING: 3139800 CPU: 9114.83, 0.00290364/step Wall: 9114.83, 0.00290364/step, 1.50037 hours remaining, 209.101562 MB of memory in use. ENERGY: 3139800 715.3076 2004.3035 1943.0287 105.2250 -206057.9000 17952.4726 0.0000 0.0000 34185.4845 -149152.0781 298.5503 -183337.5627 -149051.6321 298.9477 146.9664 177.1063 558295.1933 1.3362 1.5275 PRESSURE: 3140000 -86.1928 236.815 144.451 236.815 -302.634 -89.3661 144.451 -89.3671 -197.011 GPRESSURE: 3140000 -51.4125 174.321 139.104 318.042 -246.399 -38.7188 100.353 -107.669 -181.458 PRESSAVG: 3140000 -79.9029 -24.0876 21.2727 -24.0875 42.2967 22.5872 21.2726 22.5872 23.2719 GPRESSAVG: 3140000 -80.3843 -24.1303 22.2129 -22.994 41.2414 21.9355 23.0572 23.0217 24.6968 TIMING: 3140000 CPU: 9115.41, 0.00291888/step Wall: 9115.41, 0.00291888/step, 1.50809 hours remaining, 209.101562 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: 3140000 769.3775 2044.3712 1962.6731 123.1824 -206077.2188 17693.7540 0.0000 0.0000 34397.8997 -149085.9610 300.4054 -183483.8607 -148992.1614 299.2518 -195.2791 -159.7564 558646.5936 -4.7781 -4.8154 PRESSURE: 3140200 -354.148 -76.8994 -62.3887 -76.8985 -153.004 109.564 -62.3895 109.565 16.3666 GPRESSURE: 3140200 -301.198 -130.615 -154.38 -45.727 -87.0852 222.149 -28.397 86.5771 -3.30168 PRESSAVG: 3140200 -5.49368 45.8856 -6.53066 45.8855 5.24679 77.3705 -6.53069 77.3705 3.84156 GPRESSAVG: 3140200 -4.81824 45.5369 -6.50174 44.9392 4.96256 76.8001 -8.88444 78.4525 3.22257 TIMING: 3140200 CPU: 9115.99, 0.00289622/step Wall: 9115.99, 0.00289622/step, 1.49622 hours remaining, 209.175781 MB of memory in use. ENERGY: 3140200 728.2136 2136.6342 1924.2313 133.6970 -205795.5073 17542.4017 0.0000 0.0000 34233.2866 -149097.0430 298.9678 -183330.3296 -148995.0277 299.4382 -163.5950 -130.5284 558465.3746 1.1982 1.1223 LDB: ============= START OF LOAD BALANCING ============== 9119.45 LDB: ============== END OF LOAD BALANCING =============== 9119.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9119.45 LDB: ============= START OF LOAD BALANCING ============== 9119.75 LDB: Largest compute 4848 load 0.028444 is 24.1% of average load 0.117851 LDB: Average compute 0.001705 is 1.4% of average load 0.117851 LDB: TIME 9119.75 LOAD: AVG 0.117851 MAX 0.175467 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.043 MB LDB: TIME 9119.75 LOAD: AVG 0.117851 MAX 0.175467 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 9119.75 LOAD: AVG 0.117851 MAX 0.175467 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9119.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9119.75 PRESSURE: 3140400 4.24723 18.6075 -99.2059 18.6094 -71.397 223.623 -99.206 223.624 44.0317 GPRESSURE: 3140400 100.656 -94.1455 -57.0115 24.4066 -58.9697 151.013 -95.3425 154.221 30.2013 PRESSAVG: 3140400 -17.8114 -12.0384 -69.0016 -12.0384 -14.4747 39.8828 -69.0016 39.8828 50.1554 GPRESSAVG: 3140400 -18.2641 -13.688 -68.8278 -10.0205 -14.5717 38.1333 -70.0714 41.6861 51.1711 TIMING: 3140400 CPU: 9116.58, 0.00294708/step Wall: 9116.58, 0.00294708/step, 1.52233 hours remaining, 207.433594 MB of memory in use. ENERGY: 3140400 740.2243 2090.2731 1928.3174 110.9326 -206459.0930 18016.8414 0.0000 0.0000 34345.6355 -149226.8687 299.9490 -183572.5042 -149130.5914 299.4627 -7.7060 23.9625 556927.8505 5.9565 6.1118 PRESSURE: 3140600 148.219 -56.4337 69.1306 -56.4333 -125.241 -92.2122 69.1305 -92.211 205.095 GPRESSURE: 3140600 138.065 -140.453 99.7772 98.1516 -41.9806 -44.7528 112.066 -81.1321 234.23 PRESSAVG: 3140600 8.95579 -17.7773 -22.7108 -17.7773 -30.9956 9.49892 -22.7107 9.499 17.2711 GPRESSAVG: 3140600 10.1144 -16.2354 -20.7941 -20.1065 -30.896 11.3827 -21.2517 5.47948 16.2279 TIMING: 3140600 CPU: 9117.16, 0.00290672/step Wall: 9117.16, 0.00290672/step, 1.50132 hours remaining, 207.433594 MB of memory in use. ENERGY: 3140600 764.6635 2117.8199 1942.6083 113.1177 -206214.6974 17899.1793 0.0000 0.0000 34216.3702 -149160.9385 298.8201 -183377.3086 -149058.4511 298.7832 76.0243 110.1047 557108.1664 -1.5896 -1.5179 PRESSURE: 3140800 244.207 89.2996 53.4626 89.2993 -159.69 27.7765 53.4621 27.7757 -56.5959 GPRESSURE: 3140800 297.936 142.416 59.2358 94.3259 -168.96 21.5174 41.5771 35.0392 -9.17891 PRESSAVG: 3140800 9.87733 8.56815 -27.5411 8.56826 -1.56239 39.1224 -27.5411 39.1225 -11.6794 GPRESSAVG: 3140800 9.73864 7.18962 -28.4216 10.2763 -1.40309 39.3469 -28.4979 38.5122 -11.7382 TIMING: 3140800 CPU: 9117.74, 0.0028994/step Wall: 9117.74, 0.0028994/step, 1.49738 hours remaining, 207.703125 MB of memory in use. ENERGY: 3140800 749.8252 2101.2679 1966.9735 113.3652 -206009.8167 17805.5777 0.0000 0.0000 34090.9473 -149181.8600 297.7247 -183272.8072 -149081.9113 299.8480 9.3068 39.9325 557308.8264 -1.1215 -1.1342 PRESSURE: 3141000 -441.196 58.7541 144.238 58.7542 33.707 -67.0925 144.239 -67.0936 -102.727 GPRESSURE: 3141000 -380.271 72.941 196.454 40.0944 66.9053 -44.0594 109.947 -118.705 -89.853 PRESSAVG: 3141000 5.3784 22.7507 39.7168 22.7509 -21.3566 53.8518 39.7168 53.8518 31.985 GPRESSAVG: 3141000 5.28312 23.7518 41.4492 21.7388 -20.6907 54.669 40.7221 54.7499 31.4789 TIMING: 3141000 CPU: 9118.32, 0.00289683/step Wall: 9118.32, 0.00289683/step, 1.49589 hours remaining, 207.703125 MB of memory in use. ENERGY: 3141000 778.7112 2096.9215 1970.8274 123.3629 -206175.0676 17731.8372 0.0000 0.0000 34053.1224 -149420.2850 297.3944 -183473.4074 -149327.6033 298.3026 -170.0719 -134.4063 558353.9473 5.3356 5.3571 PRESSURE: 3141200 -422.68 -98.0568 -91.6976 -98.0572 -417.164 9.30201 -91.6988 9.30169 -145.918 GPRESSURE: 3141200 -379.064 -121.913 -65.9909 -94.0735 -326.486 66.183 -62.9929 24.3924 -180.299 PRESSAVG: 3141200 -13.0552 10.0918 13.4766 10.0918 22.1863 36.2176 13.4765 36.2176 -29.1 GPRESSAVG: 3141200 -12.3409 10.6594 11.5098 10.6336 21.1952 32.7553 13.7964 37.2137 -28.9017 TIMING: 3141200 CPU: 9118.9, 0.00290692/step Wall: 9118.9, 0.00290692/step, 1.50094 hours remaining, 207.703125 MB of memory in use. ENERGY: 3141200 739.8595 2117.3650 1959.0903 112.4193 -206031.2703 17455.7656 0.0000 0.0000 34139.4030 -149507.3676 298.1479 -183646.7706 -149405.2485 298.3637 -328.5872 -295.2828 559186.6992 -6.6563 -6.6825 PRESSURE: 3141400 -158.147 -32.0548 -138.852 -32.0545 -33.5782 -93.6488 -138.853 -93.6481 -146.965 GPRESSURE: 3141400 -63.0779 -3.10779 -162.832 -60.1673 -52.403 -122.307 -166.341 -67.8522 -135.693 PRESSAVG: 3141400 19.1704 -8.64148 -22.9166 -8.64151 19.197 9.10527 -22.9166 9.10525 -29.7559 GPRESSAVG: 3141400 17.9577 -8.62477 -21.8886 -11.2264 19.2158 11.3913 -24.2248 9.817 -28.6196 TIMING: 3141400 CPU: 9119.48, 0.00291452/step Wall: 9119.48, 0.00291452/step, 1.5047 hours remaining, 207.703125 MB of memory in use. ENERGY: 3141400 769.1619 2105.3661 1990.8555 108.5587 -206538.8523 17809.6998 0.0000 0.0000 34311.0035 -149444.2068 299.6465 -183755.2104 -149349.0580 298.6476 -112.8966 -83.7246 558453.8795 2.8705 2.8513 PRESSURE: 3141600 -183.29 -33.754 -88.1059 -33.7528 -99.8896 -79.4162 -88.1061 -79.4173 -61.2578 GPRESSURE: 3141600 -117.008 40.8516 15.7755 -69.0097 -71.3246 -78.158 -93.4026 -62.8525 -67.6238 PRESSAVG: 3141600 15.6627 43.5774 -38.8404 43.5773 11.2662 0.682553 -38.8404 0.682529 -58.4467 GPRESSAVG: 3141600 16.2238 40.9638 -40.5156 47.2347 10.8861 0.966483 -35.5547 -1.01796 -58.9334 TIMING: 3141600 CPU: 9120.07, 0.00290738/step Wall: 9120.07, 0.00290738/step, 1.50086 hours remaining, 207.703125 MB of memory in use. ENERGY: 3141600 752.4447 2065.4241 1983.5145 127.7462 -206033.7556 17583.6075 0.0000 0.0000 34080.4655 -149440.5531 297.6332 -183521.0186 -149349.7181 298.2639 -114.8123 -85.3188 557332.1306 -10.5060 -10.6078 PRESSURE: 3141800 -123.686 46.887 -3.00034 46.8864 -126.43 -68.4723 -3.00026 -68.4719 -109.027 GPRESSURE: 3141800 -189.682 7.04606 -6.66396 33.565 -87.8891 -77.1536 16.14 -37.4901 4.76495 PRESSAVG: 3141800 -5.16748 -7.42847 12.0551 -7.42859 -28.5164 -26.2627 12.0551 -26.2627 29.9166 GPRESSAVG: 3141800 -5.17019 -7.04116 12.4522 -9.64144 -27.9993 -26.172 9.48058 -25.0254 30.1268 TIMING: 3141800 CPU: 9120.65, 0.00292058/step Wall: 9120.65, 0.00292058/step, 1.50751 hours remaining, 207.703125 MB of memory in use. ENERGY: 3141800 767.8963 2103.8577 1967.5595 116.9265 -205986.3649 17595.5574 0.0000 0.0000 34042.9710 -149391.5966 297.3057 -183434.5676 -149300.3075 298.3255 -119.7142 -90.9354 557850.5168 -1.2558 -1.0142 PRESSURE: 3142000 31.5514 -197.432 26.5327 -197.431 -128.689 -6.71121 26.5327 -6.71168 34.8742 GPRESSURE: 3142000 59.982 -206.29 96.6189 -119.899 -76.6641 -5.59842 -1.10453 40.4734 48.0284 PRESSAVG: 3142000 3.89703 -0.431515 20.0342 -0.431507 -24.4973 -19.5961 20.0342 -19.5962 54.7699 GPRESSAVG: 3142000 2.61732 -0.305297 22.9456 -0.366508 -23.2911 -20.6764 16.5669 -20.4633 55.2833 TIMING: 3142000 CPU: 9121.23, 0.00291922/step Wall: 9121.23, 0.00291922/step, 1.50664 hours remaining, 207.703125 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: 3142000 735.9474 2085.2394 1936.1703 114.9106 -206440.5091 17918.7415 0.0000 0.0000 34349.0012 -149300.4986 299.9784 -183649.4998 -149202.9077 298.6487 -20.7543 10.4488 557858.4628 11.3899 11.5365 PRESSURE: 3142200 -180.893 -159.988 -36.2174 -159.988 17.4184 13.1446 -36.217 13.1448 -67.185 GPRESSURE: 3142200 -143.875 -157.75 -81.7793 -175.083 9.48805 85.9913 -78.2191 -61.0473 -8.25632 PRESSAVG: 3142200 14.8458 -35.8498 17.5698 -35.8497 -70.0046 -8.36235 17.5698 -8.3623 17.5065 GPRESSAVG: 3142200 15.3327 -34.8876 15.3425 -36.5353 -71.7537 -7.34769 20.3572 -8.74076 18.4336 TIMING: 3142200 CPU: 9121.81, 0.00290696/step Wall: 9121.81, 0.00290696/step, 1.50015 hours remaining, 207.703125 MB of memory in use. ENERGY: 3142200 731.7989 2146.8314 1963.0755 115.6736 -206198.5286 17792.1941 0.0000 0.0000 34103.5481 -149345.4070 297.8348 -183448.9550 -149252.8070 298.7572 -76.8866 -47.5476 558216.4165 -12.5508 -12.6625 PRESSURE: 3142400 41.386 60.9567 -50.7772 60.9572 249.675 8.48033 -50.7765 8.48073 -144.543 GPRESSURE: 3142400 48.0169 132.612 -79.3757 6.71806 319.754 41.0702 -93.4416 24.4366 -108.868 PRESSAVG: 3142400 -36.4365 -0.903326 40.827 -0.903298 41.3472 28.9063 40.827 28.9063 -0.702047 GPRESSAVG: 3142400 -35.3253 -0.830328 41.578 -0.43871 41.1831 29.3379 40.2143 30.069 -0.981115 TIMING: 3142400 CPU: 9122.4, 0.00291577/step Wall: 9122.4, 0.00291577/step, 1.50454 hours remaining, 207.703125 MB of memory in use. ENERGY: 3142400 714.7182 2111.8906 1965.6180 129.5335 -206455.6039 17961.4715 0.0000 0.0000 34090.1268 -149482.2452 297.7176 -183572.3721 -149385.1765 298.5932 48.8395 86.3008 558431.8960 1.4029 1.6256 PRESSURE: 3142600 -208.01 297.17 11.2562 297.17 -32.7444 22.4755 11.2554 22.4764 55.1487 GPRESSURE: 3142600 -146.491 173.782 -38.8443 282.188 -17.8647 18.941 -56.1268 50.6856 77.1918 PRESSAVG: 3142600 2.42933 29.1103 -11.7137 29.1104 49.0723 -9.9952 -11.7136 -9.99514 -50.3082 GPRESSAVG: 3142600 2.32293 27.1836 -13.9957 30.2715 50.4048 -7.4866 -9.58103 -12.5311 -51.773 TIMING: 3142600 CPU: 9122.98, 0.00290065/step Wall: 9122.98, 0.00290065/step, 1.49657 hours remaining, 207.703125 MB of memory in use. ENERGY: 3142600 742.2487 2060.1315 1973.1383 110.7914 -206527.0757 17926.3180 0.0000 0.0000 34257.6983 -149456.7495 299.1810 -183714.4478 -149361.1580 298.4232 -61.8687 -29.0548 557634.0655 0.3978 0.3182 PRESSURE: 3142800 60.172 -27.0352 41.7651 -27.0349 289.765 -14.2735 41.7645 -14.2737 180.075 GPRESSURE: 3142800 19.4343 -26.8918 -16.5579 -22.4757 327.092 -53.9172 123.81 38.5396 278.628 PRESSAVG: 3142800 -20.1035 -15.1181 -36.1301 -15.1181 21.4551 -43.7367 -36.1302 -43.7368 12.4445 GPRESSAVG: 3142800 -21.3493 -15.1765 -34.9076 -13.2893 22.4255 -47.7987 -38.0524 -41.848 13.346 TIMING: 3142800 CPU: 9123.56, 0.002888/step Wall: 9123.56, 0.002888/step, 1.48989 hours remaining, 207.703125 MB of memory in use. ENERGY: 3142800 758.2860 2126.0748 1975.9169 113.2283 -206591.9468 18179.8508 0.0000 0.0000 34209.3695 -149229.2205 298.7589 -183438.5900 -149131.1945 299.2667 176.6706 208.3848 557434.4075 4.5987 4.8074 PRESSURE: 3143000 66.0687 -173.854 -140.817 -173.854 37.3154 6.44605 -140.817 6.44535 -39.286 GPRESSURE: 3143000 134.007 -74.8324 -133.147 -205.886 44.4299 53.1717 -87.8204 -65.4383 -14.7852 PRESSAVG: 3143000 -58.1793 -16.205 -14.182 -16.205 34.8215 -31.2344 -14.182 -31.2344 3.15555 GPRESSAVG: 3143000 -56.0689 -13.9287 -14.5377 -20.186 34.3683 -30.8219 -12.2799 -29.7764 1.65162 TIMING: 3143000 CPU: 9124.14, 0.00290549/step Wall: 9124.14, 0.00290549/step, 1.49875 hours remaining, 207.703125 MB of memory in use. ENERGY: 3143000 723.5875 2096.1560 1959.3221 108.8556 -206584.2625 18197.8975 0.0000 0.0000 34220.0111 -149278.4328 298.8519 -183498.4439 -149179.1699 298.9900 21.3660 54.5504 560268.0046 -6.7341 -6.6830 PRESSURE: 3143200 79.0478 21.335 -28.4455 21.3349 -325.884 -175.991 -28.4458 -175.991 34.4016 GPRESSURE: 3143200 99.0096 39.0538 -6.2789 16.9407 -293.419 -159.257 -80.5041 -149.982 84.7897 PRESSAVG: 3143200 30.7074 28.1633 67.9943 28.1634 -53.5325 -22.3352 67.9943 -22.3352 13.3942 GPRESSAVG: 3143200 28.9543 26.7909 67.5564 30.5511 -53.1802 -21.7946 66.5143 -22.5452 15.418 TIMING: 3143200 CPU: 9124.72, 0.00290563/step Wall: 9124.72, 0.00290563/step, 1.49866 hours remaining, 207.703125 MB of memory in use. ENERGY: 3143200 741.5880 2075.6762 1940.8465 124.3224 -206109.5008 17904.8861 0.0000 0.0000 33952.5084 -149369.6732 296.5157 -183322.1816 -149276.6319 298.5971 -70.8115 -36.5398 560390.4350 -3.1436 -2.9359 PRESSURE: 3143400 -120.74 -162.055 -142.351 -162.055 -350.12 105.543 -142.351 105.541 201.324 GPRESSURE: 3143400 -79.3017 -197.494 -153.674 -116.499 -290.304 21.9552 -87.3395 78.0302 187.819 PRESSAVG: 3143400 34.3788 -25.6769 -26.3365 -25.677 -47.5198 56.3225 -26.3364 56.3224 25.8882 GPRESSAVG: 3143400 34.7581 -26.0999 -24.7008 -27.3143 -47.3965 53.8101 -26.2247 57.4167 25.5364 TIMING: 3143400 CPU: 9125.3, 0.00290726/step Wall: 9125.3, 0.00290726/step, 1.49934 hours remaining, 207.703125 MB of memory in use. ENERGY: 3143400 805.9999 2105.1924 1946.8980 109.5789 -206111.6473 17894.1146 0.0000 0.0000 34065.8481 -149184.0155 297.5055 -183249.8636 -149086.5288 299.0991 -89.8455 -60.5955 558440.4607 4.2491 4.2993 PRESSURE: 3143600 -260.553 -77.9904 -143.873 -77.9907 28.5437 78.188 -143.872 78.1878 -253.781 GPRESSURE: 3143600 -225.334 -82.7138 -110.86 -61.4741 46.387 91.1477 -109.228 116.755 -210.277 PRESSAVG: 3143600 8.2202 2.64046 -23.3904 2.6405 -22.7355 6.95534 -23.3904 6.95526 25.0576 GPRESSAVG: 3143600 8.41745 4.00971 -22.868 3.11457 -23.1495 10.6104 -24.7895 4.10242 25.6263 TIMING: 3143600 CPU: 9125.88, 0.00290574/step Wall: 9125.88, 0.00290574/step, 1.49839 hours remaining, 207.703125 MB of memory in use. ENERGY: 3143600 769.8285 2069.3380 1984.5951 115.4527 -206296.5793 17807.6278 0.0000 0.0000 34434.2472 -149115.4900 300.7228 -183549.7372 -149020.6595 299.6307 -161.9302 -129.7413 558348.4830 3.5141 3.6314 PRESSURE: 3143800 40.1618 38.5844 112.189 38.5845 -142.424 -20.2109 112.189 -20.2101 226.09 GPRESSURE: 3143800 108.883 -23.6746 94.4387 84.6549 -134.58 -11.349 127.491 -28.7951 233.905 PRESSAVG: 3143800 15.5647 -6.42806 -29.0088 -6.42808 -22.0889 -29.9461 -29.0086 -29.9461 -34.1577 GPRESSAVG: 3143800 15.2724 -6.83137 -28.5834 -6.21857 -21.764 -31.0397 -27.2614 -28.4862 -34.4029 TIMING: 3143800 CPU: 9126.47, 0.00293276/step Wall: 9126.47, 0.00293276/step, 1.51217 hours remaining, 207.703125 MB of memory in use. ENERGY: 3143800 737.1681 2103.0217 1973.6601 108.8394 -206269.3599 17959.6979 0.0000 0.0000 34251.2929 -149135.6796 299.1251 -183386.9725 -149041.1788 299.6187 41.2758 69.4027 558178.7497 -13.5607 -13.6315 PRESSURE: 3144000 248.227 -66.3649 26.6704 -66.3657 69.9063 -56.7869 26.6707 -56.7885 -103.89 GPRESSURE: 3144000 219.253 -98.8202 71.3073 -89.018 111.262 -76.1256 -61.8765 -89.5596 -24.4007 PRESSAVG: 3144000 16.4956 8.85159 -41.4216 8.85149 17.4299 10.5073 -41.4216 10.5073 16.5269 GPRESSAVG: 3144000 16.7631 11.0212 -40.5246 7.87882 17.5763 10.0228 -44.5704 9.99273 15.5029 TIMING: 3144000 CPU: 9127.05, 0.00291745/step Wall: 9127.05, 0.00291745/step, 1.50411 hours remaining, 207.703125 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: 3144000 750.3356 2130.1024 1936.8380 111.0786 -206430.7148 18099.8061 0.0000 0.0000 34333.8837 -149068.6703 299.8463 -183402.5540 -148971.3652 299.6279 71.4147 102.0379 557962.2167 16.8175 16.6141 PRESSURE: 3144200 89.402 -86.2063 -211.959 -86.2046 -76.3035 -130.373 -211.959 -130.373 -130.759 GPRESSURE: 3144200 62.7768 -110.493 -218.016 -68.3902 -13.4176 -124.346 -231.89 -176.13 -76.3878 PRESSAVG: 3144200 22.1245 -74.8907 19.9996 -74.8908 53.5308 -20.64 19.9997 -20.6399 -47.4914 GPRESSAVG: 3144200 22.1115 -78.3194 17.6285 -72.0118 53.0723 -20.6252 21.9169 -18.5577 -46.8025 TIMING: 3144200 CPU: 9127.63, 0.0029102/step Wall: 9127.63, 0.0029102/step, 1.50021 hours remaining, 207.703125 MB of memory in use. ENERGY: 3144200 733.9173 2133.1760 1940.8316 115.1347 -205947.4388 17793.7601 0.0000 0.0000 34191.4005 -149039.2184 298.6020 -183230.6190 -148943.7032 299.7258 -39.2201 -9.0096 557318.7262 9.3880 9.4604 LDB: ============= START OF LOAD BALANCING ============== 9131.1 LDB: ============== END OF LOAD BALANCING =============== 9131.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9131.1 LDB: ============= START OF LOAD BALANCING ============== 9131.4 LDB: Largest compute 4821 load 0.027041 is 23.0% of average load 0.117813 LDB: Average compute 0.001710 is 1.5% of average load 0.117813 LDB: TIME 9131.4 LOAD: AVG 0.117813 MAX 0.17703 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.691 MB LDB: TIME 9131.4 LOAD: AVG 0.117813 MAX 0.17703 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 9131.4 LOAD: AVG 0.117813 MAX 0.17703 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9131.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9131.4 PRESSURE: 3144400 -40.094 59.6515 0.0373995 59.6525 -319.929 28.6634 0.0378885 28.662 -210.283 GPRESSURE: 3144400 -58.4442 31.8838 6.20108 -6.36619 -239.853 34.0993 -3.76457 2.47193 -159.362 PRESSAVG: 3144400 15.5108 -9.68095 26.0728 -9.68096 8.36726 5.21875 26.0729 5.21892 -42.0793 GPRESSAVG: 3144400 15.6035 -7.70001 26.1986 -12.3275 9.02279 5.01553 27.2823 4.0545 -42.8077 TIMING: 3144400 CPU: 9128.23, 0.00298232/step Wall: 9128.23, 0.00298232/step, 1.53722 hours remaining, 208.203125 MB of memory in use. ENERGY: 3144400 734.0963 2150.9252 1967.9525 116.8902 -205631.2717 17423.1070 0.0000 0.0000 34235.6238 -149002.6767 298.9882 -183238.3005 -148911.5925 299.9737 -190.1019 -152.5529 558105.2629 -6.0671 -6.0605 PRESSURE: 3144600 90.602 -150.666 61.4141 -150.666 136.019 -59.7138 61.4139 -59.7128 149.569 GPRESSURE: 3144600 132.457 -127.416 18.7004 -129.541 158.721 -88.3487 111.827 26.6457 176.879 PRESSAVG: 3144600 15.0512 15.1285 36.611 15.1285 28.2985 -16.2806 36.6109 -16.2806 -37.5353 GPRESSAVG: 3144600 14.7698 14.5704 37.9334 15.6121 29.0288 -15.5864 36.7072 -18.0616 -37.8806 TIMING: 3144600 CPU: 9128.81, 0.00289793/step Wall: 9128.81, 0.00289793/step, 1.49356 hours remaining, 208.273438 MB of memory in use. ENERGY: 3144600 730.9109 2117.5791 1935.6950 115.1585 -206448.1327 18042.2090 0.0000 0.0000 34294.2769 -149212.3033 299.5004 -183506.5802 -149113.4151 300.0639 125.3966 156.0190 558105.1890 1.9381 1.9727 PRESSURE: 3144800 59.2293 -75.6191 21.5029 -75.6189 -209.98 27.3105 21.503 27.3103 -236.654 GPRESSURE: 3144800 140.777 -49.3527 57.2641 -53.5671 -151.182 13.9067 -20.1882 23.6628 -269.084 PRESSAVG: 3144800 24.6755 17.8515 21.9438 17.8516 -18.9516 -1.92204 21.9437 -1.92197 12.7561 GPRESSAVG: 3144800 24.7396 18.1465 19.4307 19.9529 -20.0289 -2.42079 21.5222 -1.30088 13.2295 TIMING: 3144800 CPU: 9129.39, 0.00290979/step Wall: 9129.39, 0.00290979/step, 1.49951 hours remaining, 208.273438 MB of memory in use. ENERGY: 3144800 723.2757 2096.2696 1935.5007 108.2148 -205819.4296 17624.3687 0.0000 0.0000 33976.7781 -149355.0220 296.7277 -183331.8001 -149258.9189 298.9882 -129.1349 -93.1632 558365.9435 6.1600 5.9801 PRESSURE: 3145000 -2.0011 -51.5768 -149.877 -51.5764 -156.605 38.3151 -149.877 38.3146 161.6 GPRESSURE: 3145000 33.8897 -14.1495 -78.4939 -52.1367 -139.855 -11.6893 -119.352 81.325 214.659 PRESSAVG: 3145000 16.3795 28.4743 33.9698 28.4744 -15.7953 -68.6254 33.9699 -68.6255 42.9792 GPRESSAVG: 3145000 16.0985 27.4991 34.7617 29.1766 -15.6623 -68.4518 34.3941 -68.5328 43.5917 TIMING: 3145000 CPU: 9129.98, 0.00292557/step Wall: 9129.98, 0.00292557/step, 1.50748 hours remaining, 208.273438 MB of memory in use. ENERGY: 3145000 737.7866 2073.6313 1984.4874 102.4712 -206576.0090 17932.7698 0.0000 0.0000 34216.7926 -149528.0700 298.8238 -183744.8627 -149435.4686 298.4738 0.9978 36.2313 557205.5647 14.5211 14.6760 PRESSURE: 3145200 63.7878 -98.3397 -148.178 -98.3383 235.546 -16.4202 -148.179 -16.4206 353.74 GPRESSURE: 3145200 100.185 -41.3072 -76.8837 -90.8387 306.595 30.9561 -153.002 -16.8506 358.238 PRESSAVG: 3145200 -81.719 -17.7319 -8.73799 -17.7319 -21.4819 -27.0663 -8.73797 -27.0664 70.4318 GPRESSAVG: 3145200 -81.4842 -16.523 -7.12173 -19.1515 -20.8612 -27.7136 -9.70077 -26.7752 69.491 TIMING: 3145200 CPU: 9130.56, 0.0029214/step Wall: 9130.56, 0.0029214/step, 1.50517 hours remaining, 208.273438 MB of memory in use. ENERGY: 3145200 742.2099 2125.5627 1937.1231 105.5054 -206908.3318 18275.4006 0.0000 0.0000 34088.4886 -149634.0415 297.7032 -183722.5300 -149539.9030 298.0650 217.6913 255.0058 556341.3482 -10.9230 -10.9515 PRESSURE: 3145400 -114.33 149.788 -8.69052 149.789 81.0642 112.019 -8.69229 112.017 54.0519 GPRESSURE: 3145400 -122.583 206.685 31.7956 136.163 73.8163 109.543 -52.5164 -10.5289 164.531 PRESSAVG: 3145400 -50.8554 -48.4648 2.84045 -48.4649 -8.73769 5.0781 2.84042 5.07808 63.5511 GPRESSAVG: 3145400 -49.6241 -48.8923 0.729464 -47.3634 -8.30493 5.9319 3.09126 4.21529 62.2385 TIMING: 3145400 CPU: 9131.15, 0.00293444/step Wall: 9131.15, 0.00293444/step, 1.51173 hours remaining, 208.273438 MB of memory in use. ENERGY: 3145400 711.3961 2087.1860 1983.2962 121.4827 -206215.0929 17844.8641 0.0000 0.0000 33915.4694 -149551.3984 296.1922 -183466.8678 -149458.1424 297.8417 6.9286 38.5882 558023.6691 1.3193 1.4365 PRESSURE: 3145600 132.894 -45.4052 -33.0402 -45.4048 -98.0468 -115.111 -33.0407 -115.109 -108.1 GPRESSURE: 3145600 156.094 -11.1928 -67.3043 -62.7526 -84.6463 -145.463 45.4366 -107.104 -50.619 PRESSAVG: 3145600 12.0843 -6.17016 19.4275 -6.17011 6.38901 22.4312 19.4276 22.4312 -48.5031 GPRESSAVG: 3145600 10.6329 -5.91772 19.5433 -6.6015 6.21159 20.6883 19.4855 22.754 -46.1465 TIMING: 3145600 CPU: 9131.73, 0.00290538/step Wall: 9131.73, 0.00290538/step, 1.4966 hours remaining, 208.273438 MB of memory in use. ENERGY: 3145600 761.4264 2092.8326 1941.7508 106.9940 -206422.2015 17742.5915 0.0000 0.0000 34143.8694 -149632.7368 298.1869 -183776.6061 -149538.3994 298.0239 -24.4173 6.9430 557386.2362 -10.0099 -9.7673 PRESSURE: 3145800 -251.17 -84.4845 -124.702 -84.4848 -121.985 146.986 -124.702 146.987 239.193 GPRESSURE: 3145800 -219.418 -43.6995 -156.735 -82.2543 -97.8851 160.931 -106.184 111.755 274.634 PRESSAVG: 3145800 -26.5422 12.7783 43.4636 12.7783 -4.02808 14.0429 43.4637 14.0431 45.0216 GPRESSAVG: 3145800 -25.592 13.2919 44.6892 13.6937 -4.96816 13.8162 41.9145 12.5587 45.6037 TIMING: 3145800 CPU: 9132.31, 0.00292732/step Wall: 9132.31, 0.00292732/step, 1.50773 hours remaining, 208.273438 MB of memory in use. ENERGY: 3145800 755.6558 2067.5340 1964.6125 102.2751 -206601.8149 17877.0257 0.0000 0.0000 34223.8406 -149610.8712 298.8853 -183834.7118 -149514.5771 297.8666 -44.6539 -14.2232 556791.6354 4.8171 5.0145 PRESSURE: 3146000 -50.3949 63.9174 195.667 63.9178 -129.95 45.1386 195.667 45.1387 42.9295 GPRESSURE: 3146000 -12.6958 -3.07173 143.318 121.469 -111.49 61.9291 231.919 42.4039 82.9374 PRESSAVG: 3146000 -80.6404 12.8546 1.60684 12.8545 39.1459 39.9966 1.6069 39.9967 61.3023 GPRESSAVG: 3146000 -81.2583 14.058 0.550613 10.5339 40.2125 40.0376 3.64347 40.9488 60.1278 TIMING: 3146000 CPU: 9132.89, 0.00290543/step Wall: 9132.89, 0.00290543/step, 1.4963 hours remaining, 208.273438 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: 3146000 774.7108 2056.8701 1956.6370 108.7623 -206168.6136 17730.0654 0.0000 0.0000 33927.3655 -149614.2025 296.2961 -183541.5680 -149510.2129 297.5427 -45.8052 -13.7496 557272.4293 6.6026 6.3607 PRESSURE: 3146200 -27.8263 -20.7842 -4.68899 -20.7854 -81.3489 -59.7886 -4.68796 -59.7861 -78.5701 GPRESSURE: 3146200 12.4632 -73.5114 63.9427 -34.8852 -19.4102 -124.083 -13.5343 52.5898 -79.7958 PRESSAVG: 3146200 -6.3062 19.5806 -34.5748 19.5807 -71.7084 2.35049 -34.5747 2.35054 74.882 GPRESSAVG: 3146200 -6.46866 18.4632 -34.2383 20.2097 -72.7763 5.47156 -34.2966 2.35925 76.5915 TIMING: 3146200 CPU: 9133.48, 0.00292567/step Wall: 9133.48, 0.00292567/step, 1.50656 hours remaining, 208.273438 MB of memory in use. ENERGY: 3146200 753.8664 2116.6677 1975.9489 110.7157 -206190.3480 17744.4964 0.0000 0.0000 34057.1883 -149431.4646 297.4299 -183488.6528 -149331.2616 297.9574 -62.5818 -28.9143 556411.2088 -1.0442 -0.8845 PRESSURE: 3146400 -116.261 -69.1465 92.9015 -69.1461 -61.03 -4.11492 92.9007 -4.11394 -282.375 GPRESSURE: 3146400 -85.1268 -123.744 144.068 -40.1098 -40.0693 0.222521 69.2806 12.2831 -234.056 PRESSAVG: 3146400 21.4093 -88.2273 -31.6127 -88.2272 -26.4466 -28.082 -31.6125 -28.0821 8.38656 GPRESSAVG: 3146400 21.3819 -89.16 -29.9797 -88.6173 -25.3394 -28.906 -32.4933 -28.5374 7.58279 TIMING: 3146400 CPU: 9134.07, 0.00293361/step Wall: 9134.07, 0.00293361/step, 1.51048 hours remaining, 208.273438 MB of memory in use. ENERGY: 3146400 734.3685 2127.8327 1956.2380 111.0526 -206447.6948 17687.8040 0.0000 0.0000 34003.0586 -149827.3404 296.9572 -183830.3990 -149726.2823 297.9839 -153.2220 -119.7507 556556.1073 1.1164 1.2084 PRESSURE: 3146600 -71.5947 7.92791 -110.038 7.92717 -60.6233 247.368 -110.039 247.369 9.26621 GPRESSURE: 3146600 19.7035 33.187 -129.614 24.3127 -98.0978 229.306 -19.7378 221.113 56.9861 PRESSAVG: 3146600 20.3465 8.38829 -20.9729 8.38829 11.3426 59.0985 -20.9728 59.0985 -14.8036 GPRESSAVG: 3146600 20.3719 9.4978 -21.697 7.86064 10.5778 58.3265 -20.8113 59.4226 -14.8432 TIMING: 3146600 CPU: 9134.65, 0.00291122/step Wall: 9134.65, 0.00291122/step, 1.49879 hours remaining, 208.531250 MB of memory in use. ENERGY: 3146600 737.8352 2042.5674 1962.9545 114.4333 -206745.6307 17860.6448 0.0000 0.0000 34184.3609 -149842.8346 298.5405 -184027.1955 -149750.9339 297.6490 -40.9839 -7.1361 555847.9409 5.6285 5.3689 PRESSURE: 3146800 4.23114 83.6182 -18.0246 83.6179 131.304 76.4637 -18.0252 76.4652 17.3794 GPRESSURE: 3146800 -4.38233 -1.98271 13.722 31.9097 204.223 36.0124 -28.0974 44.983 43.9074 PRESSAVG: 3146800 23.4215 -58.7867 -39.1098 -58.7868 3.27238 86.0618 -39.1098 86.0619 -63.0149 GPRESSAVG: 3146800 23.7979 -60.4511 -40.726 -58.7901 3.67992 88.4411 -36.8803 84.9385 -63.9823 TIMING: 3146800 CPU: 9135.23, 0.00290656/step Wall: 9135.23, 0.00290656/step, 1.49623 hours remaining, 208.531250 MB of memory in use. ENERGY: 3146800 708.4539 2084.9731 1955.5309 100.7740 -206399.3257 17770.9400 0.0000 0.0000 34152.6188 -149626.0349 298.2633 -183778.6536 -149523.0658 298.0175 50.9716 81.2493 555611.7660 -12.1070 -12.1682 PRESSURE: 3147000 -68.7746 -10.8701 67.0761 -10.8694 7.87996 65.7724 67.0751 65.7729 -125.117 GPRESSURE: 3147000 -55.6171 -7.27743 62.6574 43.9448 82.8406 34.5246 34.7363 54.8947 -118.614 PRESSAVG: 3147000 67.117 82.6029 31.7408 82.6029 -8.55644 72.9731 31.7408 72.9731 -12.4395 GPRESSAVG: 3147000 67.0785 83.964 33.102 82.9022 -8.24785 70.1238 28.3976 75.4402 -12.7747 TIMING: 3147000 CPU: 9135.81, 0.00290768/step Wall: 9135.81, 0.00290768/step, 1.49665 hours remaining, 208.531250 MB of memory in use. ENERGY: 3147000 758.1333 2042.9298 1976.6049 118.3421 -205998.2752 17611.2464 0.0000 0.0000 34163.4777 -149327.5410 298.3581 -183491.0188 -149229.1460 298.5665 -62.0039 -30.4634 556159.0823 15.3737 15.3520 PRESSURE: 3147200 287.654 -129.721 99.0027 -129.72 66.1315 -7.80321 99.0023 -7.80233 67.9543 GPRESSURE: 3147200 272.992 -124.881 100.663 -44.7327 133.206 -17.3236 176.515 -36.976 114.153 PRESSAVG: 3147200 35.1805 -28.7538 11.8574 -28.7538 -20.1684 -9.33736 11.8573 -9.33742 -49.5355 GPRESSAVG: 3147200 34.4619 -29.5679 12.7612 -29.502 -20.6391 -7.98323 12.3153 -9.95504 -48.7946 TIMING: 3147200 CPU: 9136.39, 0.00291366/step Wall: 9136.39, 0.00291366/step, 1.49956 hours remaining, 208.531250 MB of memory in use. ENERGY: 3147200 710.9943 2083.0094 1949.0957 114.8726 -206166.3963 17920.6052 0.0000 0.0000 34165.1408 -149222.6784 298.3727 -183387.8191 -149124.5727 299.2380 140.5800 173.4506 556859.4416 -11.5078 -11.6573 PRESSURE: 3147400 -72.7347 5.40452 -25.7868 5.40328 -206.389 6.9359 -25.7862 6.93633 -36.8899 GPRESSURE: 3147400 -126.96 -87.7211 28.4648 67.8466 -161.192 36.8756 -25.9672 -17.1055 74.1967 PRESSAVG: 3147400 -14.8777 -47.1882 9.40947 -47.1884 -18.5867 37.8097 9.40943 37.8097 -11.7406 GPRESSAVG: 3147400 -14.3791 -47.5308 8.66072 -45.7437 -19.3482 36.897 9.32328 36.5934 -11.7158 TIMING: 3147400 CPU: 9136.98, 0.00292849/step Wall: 9136.98, 0.00292849/step, 1.50703 hours remaining, 208.531250 MB of memory in use. ENERGY: 3147400 749.1933 2054.9179 1931.7154 116.5396 -206262.4032 17676.0209 0.0000 0.0000 34558.0391 -149175.9770 301.8040 -183734.0160 -149073.0386 298.7664 -105.3380 -71.3183 557714.0114 -15.0683 -15.1477 PRESSURE: 3147600 -10.2151 218.33 -130.935 218.329 61.7547 -28.4229 -130.934 -28.4219 44.1947 GPRESSURE: 3147600 74.528 189.367 -115.297 305.516 76.4914 -70.4066 -73.7523 60.666 44.5853 PRESSAVG: 3147600 10.0536 24.3256 -29.4301 24.3256 -3.80639 24.7291 -29.4302 24.7291 73.2686 GPRESSAVG: 3147600 10.0585 25.5324 -27.6502 24.3255 -2.45321 23.7394 -30.0133 26.4372 71.8008 TIMING: 3147600 CPU: 9137.56, 0.00291816/step Wall: 9137.56, 0.00291816/step, 1.50156 hours remaining, 208.531250 MB of memory in use. ENERGY: 3147600 697.3400 2049.5152 1994.9002 109.1819 -206298.6663 18006.0936 0.0000 0.0000 34130.4927 -149311.1426 298.0701 -183441.6354 -149210.8473 299.1610 31.9114 65.2016 557855.7740 26.5053 26.4687 PRESSURE: 3147800 52.1815 60.1045 121.511 60.1039 20.6749 -43.0397 121.51 -43.0389 -29.5268 GPRESSURE: 3147800 102.53 11.8149 147.854 -18.0163 53.3084 -14.4893 81.9091 -86.449 -27.1346 PRESSAVG: 3147800 -13.4508 -11.3293 -8.11942 -11.3293 -3.14184 -7.79776 -8.11939 -7.79781 67.827 GPRESSAVG: 3147800 -12.3177 -12.6878 -10.3668 -12.5403 -4.91012 -6.27424 -8.43796 -9.82508 68.1686 TIMING: 3147800 CPU: 9138.15, 0.00291368/step Wall: 9138.15, 0.00291368/step, 1.49909 hours remaining, 208.531250 MB of memory in use. ENERGY: 3147800 709.3847 2090.6831 1979.0453 115.9152 -206347.5324 17747.9816 0.0000 0.0000 34308.9691 -149395.5535 299.6288 -183704.5226 -149295.0179 298.8833 14.4432 42.9011 557245.3151 17.0781 16.9803 PRESSURE: 3148000 -248.432 -122.64 -49.3201 -122.64 -177.01 -45.2513 -49.3214 -45.2513 -226.37 GPRESSURE: 3148000 -230.356 -132.599 -34.9628 -96.2703 -185.942 -130.494 -57.1905 -40.3574 -144.036 PRESSAVG: 3148000 -47.5453 -9.34605 -41.0498 -9.34604 20.5999 -20.3552 -41.0497 -20.3553 20.7972 GPRESSAVG: 3148000 -49.0828 -8.15781 -39.9542 -10.1725 21.011 -20.3264 -38.9167 -20.1949 21.6641 TIMING: 3148000 CPU: 9138.73, 0.00293626/step Wall: 9138.73, 0.00293626/step, 1.51054 hours remaining, 208.531250 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: 3148000 729.8810 2075.5352 1945.6535 116.8820 -205823.3512 17501.9548 0.0000 0.0000 34195.5506 -149257.8941 298.6382 -183453.4447 -149157.4368 298.9420 -217.2705 -186.7780 559290.1590 -2.0494 -2.1359 PRESSURE: 3148200 -104.654 13.7122 -63.0342 13.7115 -73.8387 -81.8715 -63.0336 -81.8709 -164.35 GPRESSURE: 3148200 -96.8751 -48.5722 -118.947 72.9979 -97.3301 -161.549 -35.5537 -26.3039 -46.91 PRESSAVG: 3148200 -23.2091 -10.1022 7.9669 -10.1022 -40.8749 -5.76797 7.96693 -5.76791 41.6802 GPRESSAVG: 3148200 -22.5322 -11.5549 7.59304 -8.93533 -41.0564 -6.27027 7.04271 -4.9697 41.3575 TIMING: 3148200 CPU: 9139.32, 0.00292054/step Wall: 9139.32, 0.00292054/step, 1.50229 hours remaining, 208.531250 MB of memory in use. ENERGY: 3148200 757.4511 2060.4360 1981.0143 110.8701 -206197.4979 17740.2532 0.0000 0.0000 34302.3579 -149245.1154 299.5710 -183547.4733 -149145.6695 298.4736 -114.2807 -80.3717 558908.8704 -7.4679 -7.4104 LDB: ============= START OF LOAD BALANCING ============== 9142.78 LDB: ============== END OF LOAD BALANCING =============== 9142.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9142.79 LDB: ============= START OF LOAD BALANCING ============== 9143.08 LDB: Largest compute 4848 load 0.026492 is 22.5% of average load 0.117782 LDB: Average compute 0.001699 is 1.4% of average load 0.117782 LDB: TIME 9143.08 LOAD: AVG 0.117782 MAX 0.178299 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9143.08 LOAD: AVG 0.117782 MAX 0.178299 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.145 MB LDB: TIME 9143.08 LOAD: AVG 0.117782 MAX 0.178299 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9143.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9143.09 PRESSURE: 3148400 54.7332 152.828 -103.605 152.828 239.645 -134.874 -103.604 -134.873 -122.833 GPRESSURE: 3148400 103.174 144.374 -94.8783 180.15 208.083 -177.19 -108.128 -104.357 -50.9699 PRESSAVG: 3148400 13.8993 73.5308 1.75044 73.5307 -9.94908 10.4416 1.75058 10.4416 33.2232 GPRESSAVG: 3148400 14.2539 74.2038 0.918475 73.4166 -10.0073 8.42341 1.67942 10.3225 32.4163 TIMING: 3148400 CPU: 9139.91, 0.00298002/step Wall: 9139.91, 0.00298002/step, 1.53273 hours remaining, 205.449219 MB of memory in use. ENERGY: 3148400 758.0927 2065.2458 1939.4045 110.0559 -206475.0598 17972.6389 0.0000 0.0000 34326.1823 -149303.4398 299.7791 -183629.6221 -149213.9201 299.0562 57.1817 86.7624 557512.0533 12.3911 12.2210 PRESSURE: 3148600 -308.901 147.563 -286.768 147.563 -162.288 65.2311 -286.767 65.2318 -149.262 GPRESSURE: 3148600 -264.99 132.099 -288.285 59.0858 -112.369 76.3107 -238.548 113.18 -151.876 PRESSAVG: 3148600 -59.758 -20.084 4.04382 -20.084 -19.392 53.5907 4.04381 53.5906 65.9718 GPRESSAVG: 3148600 -60.6527 -22.2055 3.19398 -18.7122 -18.9482 56.3481 5.34159 53.222 66.1398 TIMING: 3148600 CPU: 9140.5, 0.00292071/step Wall: 9140.5, 0.00292071/step, 1.50206 hours remaining, 205.691406 MB of memory in use. ENERGY: 3148600 762.4956 2118.6502 1953.2205 119.3886 -206067.2165 17660.1386 0.0000 0.0000 34351.9032 -149101.4197 300.0037 -183453.3229 -149010.2468 299.8054 -206.8171 -176.4115 559956.7265 -4.3927 -4.4870 PRESSURE: 3148800 -172.709 -147.858 -40.3987 -147.856 -259.529 142.806 -40.3994 142.806 -273.853 GPRESSURE: 3148800 -153.409 -170.945 2.97774 -101.215 -227.072 38.7329 -4.72328 176.338 -214.234 PRESSAVG: 3148800 -55.0392 -37.213 59.9826 -37.213 48.2256 -24.8919 59.9826 -24.8919 26.1121 GPRESSAVG: 3148800 -55.0358 -34.9309 61.5125 -37.9253 47.3226 -24.697 58.3037 -25.1333 27.3847 TIMING: 3148800 CPU: 9141.08, 0.00292392/step Wall: 9141.08, 0.00292392/step, 1.50354 hours remaining, 205.691406 MB of memory in use. ENERGY: 3148800 772.0726 2080.6016 1947.7765 126.9802 -205844.1486 17730.8515 0.0000 0.0000 34160.4316 -149025.4345 298.3315 -183185.8661 -148921.9543 300.3621 -235.3636 -198.2385 559959.8742 6.4328 6.5572 PRESSURE: 3149000 78.1749 -152.62 -10.8723 -152.621 313.751 -63.9608 -10.8722 -63.9612 36.8983 GPRESSURE: 3149000 74.4813 -278.866 -91.8018 -156.124 316.599 -37.6249 4.97104 -20.6699 127.145 PRESSAVG: 3149000 -21.7828 -31.5141 0.158713 -31.5141 -4.27222 27.6137 0.158755 27.6137 25.151 GPRESSAVG: 3149000 -20.8313 -32.0743 1.54974 -31.9947 -3.39359 27.2149 0.608008 26.7443 23.8332 TIMING: 3149000 CPU: 9141.67, 0.00291857/step Wall: 9141.67, 0.00291857/step, 1.50063 hours remaining, 205.691406 MB of memory in use. ENERGY: 3149000 675.4075 2120.1660 1953.1702 107.0969 -205926.8688 17845.3334 0.0000 0.0000 34322.2821 -148903.4127 299.7450 -183225.6948 -148815.2425 300.2566 142.9414 172.7419 558794.6119 -0.3013 -0.1306 PRESSURE: 3149200 -202.661 -129.068 5.46762 -129.069 -92.1085 -34.4011 5.46911 -34.4026 -209.066 GPRESSURE: 3149200 -164.009 -229.246 77.8555 -14.1214 -52.6251 -48.928 17.5232 -45.0932 -184.114 PRESSAVG: 3149200 -80.3287 -17.9197 15.6702 -17.9197 36.9575 23.1428 15.6702 23.1428 32.5778 GPRESSAVG: 3149200 -81.2286 -18.6737 11.529 -15.8557 36.9954 22.3174 15.5495 25.081 33.2573 TIMING: 3149200 CPU: 9142.25, 0.00291191/step Wall: 9142.25, 0.00291191/step, 1.49705 hours remaining, 205.691406 MB of memory in use. ENERGY: 3149200 698.4954 2117.8539 1965.8441 107.7486 -205866.2978 17568.6421 0.0000 0.0000 34436.0172 -148971.6966 300.7383 -183407.7137 -148871.6320 299.7094 -167.9449 -133.5828 558767.3744 -3.5978 -3.6586 PRESSURE: 3149400 -316.674 -40.6236 60.2682 -40.6246 340.704 32.8586 60.2684 32.8602 132.245 GPRESSURE: 3149400 -254.371 -19.7199 29.008 -46.2761 381.901 -9.64804 145.474 15.06 120.797 PRESSAVG: 3149400 -85.8854 -27.8044 13.769 -27.8044 19.4342 -47.5814 13.769 -47.5813 69.4299 GPRESSAVG: 3149400 -85.5361 -25.1353 15.2404 -31.8551 20.1132 -48.593 14.8475 -47.6845 68.0458 TIMING: 3149400 CPU: 9142.83, 0.00290585/step Wall: 9142.83, 0.00290585/step, 1.49377 hours remaining, 205.691406 MB of memory in use. ENERGY: 3149400 765.8001 2080.6151 1965.9157 122.0580 -206397.7499 18002.2621 0.0000 0.0000 34341.4490 -149119.6499 299.9124 -183461.0989 -149022.6684 299.7705 52.0914 82.7759 559582.5679 0.9929 0.8743 PRESSURE: 3149600 33.1823 -50.3632 -108.317 -50.3636 -142 -28.9508 -108.316 -28.9496 -13.5767 GPRESSURE: 3149600 146.248 44.6793 -117.732 -106.328 -125.491 7.89028 -74.7085 -1.41769 -38.2826 PRESSAVG: 3149600 -21.7531 -12.7564 13.115 -12.7565 54.8999 17.5585 13.1149 17.5586 -23.1255 GPRESSAVG: 3149600 -23.1891 -15.0715 13.6554 -10.6178 55.8175 18.5926 14.4226 16.1806 -22.8327 TIMING: 3149600 CPU: 9143.41, 0.00291797/step Wall: 9143.41, 0.00291797/step, 1.49983 hours remaining, 205.691406 MB of memory in use. ENERGY: 3149600 722.8034 2118.6948 1969.7971 107.5317 -206405.6562 18017.4689 0.0000 0.0000 34387.8425 -149081.5178 300.3176 -183469.3603 -148981.4882 299.3654 -40.7982 -5.8421 559981.1393 3.3405 3.2653 PRESSURE: 3149800 -172.455 -53.1434 -118.273 -53.1433 -24.9909 -51.6052 -118.272 -51.607 20.5999 GPRESSURE: 3149800 -115.939 -67.5059 -88.2068 -110.704 -33.192 -84.7767 -156.64 50.5498 72.179 PRESSAVG: 3149800 84.164 -20.8693 29.3099 -20.8692 -33.3677 43.1084 29.31 43.1085 -12.8683 GPRESSAVG: 3149800 85.5141 -20.5022 30.35 -20.3723 -36.1354 44.5202 26.8599 44.1912 -11.214 TIMING: 3149800 CPU: 9144, 0.0029513/step Wall: 9144, 0.0029513/step, 1.51681 hours remaining, 205.691406 MB of memory in use. ENERGY: 3149800 782.4119 2060.0549 1966.0801 99.6599 -206750.1174 18039.3490 0.0000 0.0000 34535.5331 -149267.0284 301.6074 -183802.5616 -149169.9719 299.2498 -58.9486 -25.6507 558885.3213 12.6427 12.7216 PRESSURE: 3150000 -270.309 53.6931 -35.4306 53.6929 -578.032 -81.9004 -35.4287 -81.9019 9.88078 GPRESSURE: 3150000 -208.129 63.5123 15.1521 46.4508 -514.576 -200.108 -9.95556 -18.177 -10.3315 PRESSAVG: 3150000 -7.29077 -37.7568 -67.0454 -37.7568 -39.6172 -10.0815 -67.0453 -10.0815 36.164 GPRESSAVG: 3150000 -7.21144 -36.958 -67.7323 -38.2964 -38.6461 -10.7461 -65.8252 -10.1129 34.7346 TIMING: 3150000 CPU: 9144.59, 0.002941/step Wall: 9144.59, 0.002941/step, 1.51135 hours remaining, 205.691406 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: 3150000 758.7560 2093.2552 1981.3213 108.5375 -205825.5848 17421.2556 0.0000 0.0000 34269.4626 -149192.9965 299.2837 -183462.4591 -149096.1843 299.2741 -279.4869 -244.3454 559015.2983 -3.5813 -3.7076 PRESSURE: 3150200 -76.9115 0.603845 -323.398 0.603271 150.381 -22.5588 -323.397 -22.557 -8.53141 GPRESSURE: 3150200 -46.3403 -11.4061 -358.862 51.0318 152.549 49.0789 -255.785 -104.066 36.9356 PRESSAVG: 3150200 -33.6938 -40.0052 9.51719 -40.0052 -3.8312 45.4721 9.51708 45.4721 24.6451 GPRESSAVG: 3150200 -33.2618 -41.0656 10.0123 -39.8821 -4.18224 45.0666 8.71404 45.488 24.2663 TIMING: 3150200 CPU: 9145.18, 0.00293376/step Wall: 9145.18, 0.00293377/step, 1.50747 hours remaining, 205.757812 MB of memory in use. ENERGY: 3150200 714.9497 2124.5161 1949.5155 121.0715 -206160.4566 17757.8818 0.0000 0.0000 34478.8343 -149013.6877 301.1122 -183492.5221 -148926.7751 299.5222 21.6459 47.7147 557600.7694 -4.2933 -4.3926 PRESSURE: 3150400 -295.523 -38.1269 15.6973 -38.1262 -354.775 -39.6132 15.6968 -39.6132 -272.494 GPRESSURE: 3150400 -263.666 -89.0369 64.9365 -46.4215 -280.777 -82.8866 -18.9356 -5.35944 -269.064 PRESSAVG: 3150400 54.0024 -36.1939 38.4197 -36.194 -40.0059 30.9235 38.4197 30.9235 -2.51637 GPRESSAVG: 3150400 53.2904 -36.6233 37.8595 -35.2101 -39.3567 31.7526 36.1302 31.572 -2.52267 TIMING: 3150400 CPU: 9145.77, 0.00296575/step Wall: 9145.77, 0.00296575/step, 1.52374 hours remaining, 205.757812 MB of memory in use. ENERGY: 3150400 769.2183 2109.9084 1988.6088 114.2193 -205709.3370 17426.8532 0.0000 0.0000 34253.6136 -149046.9154 299.1453 -183300.5290 -148956.1677 299.6821 -307.5976 -271.1688 558364.5459 3.8267 3.8037 PRESSURE: 3150600 -28.7538 -45.0326 -60.1294 -45.032 -234.067 -36.9997 -60.1295 -37.0014 211.637 GPRESSURE: 3150600 21.5906 -61.7695 -62.6426 -17.3415 -109.164 -33.464 -45.9336 -3.53403 131.376 PRESSAVG: 3150600 55.2671 -11.0787 1.90496 -11.0788 -17.7085 -7.8847 1.90501 -7.88476 -1.04737 GPRESSAVG: 3150600 55.4656 -10.5809 0.121929 -12.084 -16.9517 -7.3735 5.27974 -8.69588 -2.33809 TIMING: 3150600 CPU: 9146.36, 0.0029266/step Wall: 9146.36, 0.0029266/step, 1.50346 hours remaining, 205.757812 MB of memory in use. ENERGY: 3150600 738.8714 2134.5194 1946.9937 125.5649 -206133.8291 17669.4143 0.0000 0.0000 34423.7365 -149094.7288 300.6311 -183518.4653 -148994.9819 299.5634 -17.0612 14.6010 557308.6142 12.1704 12.0586 PRESSURE: 3150800 -248.39 -1.10143 64.5848 -1.10196 -15.032 -41.3385 64.5828 -41.3388 -209.784 GPRESSURE: 3150800 -220.867 -32.0559 99.3337 30.894 -0.387416 18.0398 -33.1929 -105.102 -145.495 PRESSAVG: 3150800 3.50453 7.82981 58.3331 7.82977 -15.3127 1.18281 58.333 1.18283 -2.61109 GPRESSAVG: 3150800 3.38715 6.72568 59.9161 8.24263 -16.4821 0.379099 56.1774 1.0986 -1.65174 TIMING: 3150800 CPU: 9146.95, 0.00294769/step Wall: 9146.95, 0.00294769/step, 1.51413 hours remaining, 205.757812 MB of memory in use. ENERGY: 3150800 762.1174 2148.1354 1934.1881 101.6913 -206248.0947 17747.1583 0.0000 0.0000 34322.2078 -149232.5964 299.7444 -183554.8043 -149132.8625 299.5093 -157.7354 -122.2497 558324.7064 -4.8064 -4.9156 PRESSURE: 3151000 -59.7527 128.278 94.6903 128.278 362.024 151.104 94.6896 151.102 161.068 GPRESSURE: 3151000 31.9299 69.1144 186.038 96.3199 390.814 185.622 95.587 160.992 143.752 PRESSAVG: 3151000 -34.7173 29.7842 53.6337 29.7843 55.465 48.3972 53.6337 48.3971 14.3531 GPRESSAVG: 3151000 -34.4038 30.1204 54.4423 30.6606 55.7743 47.4966 53.9954 48.2199 14.0025 TIMING: 3151000 CPU: 9147.53, 0.0029382/step Wall: 9147.53, 0.0029382/step, 1.50909 hours remaining, 205.757812 MB of memory in use. ENERGY: 3151000 733.1513 2101.6654 1947.1180 110.9516 -206566.7430 17982.8443 0.0000 0.0000 34373.9623 -149317.0500 300.1964 -183691.0123 -149223.3096 299.9814 154.4464 188.8320 555621.7247 11.7002 11.7910 PRESSURE: 3151200 8.81922 -14.1125 185.499 -14.1122 146.446 42.825 185.499 42.8223 316.062 GPRESSURE: 3151200 33.2678 -62.8758 93.9583 2.81632 173.573 35.3085 234.383 27.939 352.074 PRESSAVG: 3151200 -21.04 1.64059 -8.56267 1.64049 83.1943 11.3495 -8.56272 11.3494 -61.4648 GPRESSAVG: 3151200 -22.2078 1.16928 -9.35772 0.934192 82.8368 13.2144 -7.77618 9.80447 -60.1182 TIMING: 3151200 CPU: 9148.12, 0.00294851/step Wall: 9148.12, 0.00294851/step, 1.51422 hours remaining, 205.757812 MB of memory in use. ENERGY: 3151200 732.2134 2131.3449 1968.7880 118.7858 -206877.5075 18211.0216 0.0000 0.0000 34277.8486 -149437.5054 299.3570 -183715.3539 -149338.7101 299.2638 157.1090 186.3052 555873.9890 0.2298 0.1703 PRESSURE: 3151400 -12.6617 4.45009 11.3344 4.44996 -337.887 107.35 11.3343 107.351 -90.4196 GPRESSURE: 3151400 0.32754 -84.8895 172.433 112.383 -302.013 107.66 -48.2899 191.743 -34.6475 PRESSAVG: 3151400 32.0982 -6.99996 -3.7709 -6.99995 -30.7576 40.5389 -3.7708 40.5388 -29.3493 GPRESSAVG: 3151400 33.6426 -6.96962 -4.81128 -4.71604 -30.0966 39.3318 -3.72344 42.912 -31.2664 TIMING: 3151400 CPU: 9148.71, 0.00295199/step Wall: 9148.71, 0.00295199/step, 1.51584 hours remaining, 205.757812 MB of memory in use. ENERGY: 3151400 758.2797 2140.2854 1980.8344 102.6564 -206482.1986 17826.4460 0.0000 0.0000 34352.3716 -149321.3251 300.0078 -183673.6967 -149213.9548 298.7028 -146.9895 -112.1110 559034.9106 -9.3362 -9.2401 PRESSURE: 3151600 25.0961 22.1732 76.4474 22.1738 41.7184 19.7125 76.4459 19.7139 -34.3967 GPRESSURE: 3151600 19.5704 50.2538 -1.40491 129.304 56.2351 130.854 107.937 32.805 63.4828 PRESSAVG: 3151600 46.9103 -12.513 16.7999 -12.5131 -50.7836 -22.8295 16.7999 -22.8295 -23.8876 GPRESSAVG: 3151600 46.4429 -9.11567 16.2337 -14.3945 -51.055 -22.4843 17.9133 -23.6388 -22.9724 TIMING: 3151600 CPU: 9149.3, 0.00293483/step Wall: 9149.3, 0.00293483/step, 1.50687 hours remaining, 205.757812 MB of memory in use. ENERGY: 3151600 730.6701 2107.6804 1966.7641 107.6684 -206561.4463 17965.8512 0.0000 0.0000 34099.6586 -149583.1536 297.8008 -183682.8122 -149486.3759 298.7103 10.8059 46.4295 557189.8166 -9.2536 -9.1948 PRESSURE: 3151800 -173.807 -90.3427 -65.6457 -90.3418 -47.6527 -100.199 -65.6452 -100.199 0.60314 GPRESSURE: 3151800 -107.62 -55.5061 -38.4949 -160.642 -83.5286 -95.0495 -47.9015 -40.9677 71.4564 PRESSAVG: 3151800 -27.2453 -15.7287 -49.8807 -15.7287 89.9828 5.3513 -49.8808 5.3513 -23.433 GPRESSAVG: 3151800 -26.8991 -18.944 -48.7566 -15.5263 88.5931 2.9752 -49.4481 6.13514 -22.5636 TIMING: 3151800 CPU: 9149.88, 0.00291156/step Wall: 9149.88, 0.00291156/step, 1.49476 hours remaining, 205.757812 MB of memory in use. ENERGY: 3151800 746.5382 2115.1381 1975.7160 109.1138 -206488.6167 17566.9395 0.0000 0.0000 34274.9451 -149700.2258 299.3316 -183975.1710 -149595.9163 298.1580 -73.6189 -39.8973 555980.9097 13.1015 13.0435 PRESSURE: 3152000 -18.344 149.298 73.2681 149.299 51.2682 214.559 73.2673 214.558 190.692 GPRESSURE: 3152000 -12.3551 139.398 15.6378 149.972 74.1559 177.733 37.898 288.686 251.135 PRESSAVG: 3152000 -27.1857 -18.0999 -1.56127 -18.0998 2.15346 -23.9097 -1.56129 -23.9096 -4.48409 GPRESSAVG: 3152000 -28.629 -17.1132 0.810723 -19.4453 3.85829 -21.9723 -3.95659 -25.0945 -4.92418 TIMING: 3152000 CPU: 9150.47, 0.00294409/step Wall: 9150.47, 0.00294409/step, 1.5113 hours remaining, 205.757812 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: 3152000 739.1426 2117.9082 1964.1342 119.9446 -206714.9745 17984.9118 0.0000 0.0000 34023.8573 -149765.0758 297.1388 -183788.9331 -149664.5898 297.7757 74.5387 104.3121 555887.5994 -9.8388 -9.8983 PRESSURE: 3152200 -177.701 92.3147 -111.192 92.3138 -285.527 -162.655 -111.192 -162.653 -27.1864 GPRESSURE: 3152200 -136.637 9.1451 -58.9395 146.934 -224.525 -146.16 -123.328 -95.0781 -20.6228 PRESSAVG: 3152200 -10.2739 -7.40717 13.277 -7.40714 47.3259 24.1763 13.277 24.1763 -18.7842 GPRESSAVG: 3152200 -10.24 -7.9538 11.6222 -7.70451 46.7137 23.2577 15.9514 25.7933 -18.1397 TIMING: 3152200 CPU: 9151.06, 0.00292699/step Wall: 9151.06, 0.00292699/step, 1.50236 hours remaining, 205.757812 MB of memory in use. ENERGY: 3152200 748.1065 2102.5157 1946.7178 118.4991 -206141.6121 17501.5476 0.0000 0.0000 34030.7142 -149693.5111 297.1987 -183724.2254 -149593.6909 297.7685 -163.4715 -127.2618 555381.7063 6.0893 6.1113 LDB: ============= START OF LOAD BALANCING ============== 9154.53 LDB: ============== END OF LOAD BALANCING =============== 9154.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9154.53 LDB: ============= START OF LOAD BALANCING ============== 9154.82 LDB: Largest compute 4848 load 0.027838 is 23.6% of average load 0.117713 LDB: Average compute 0.001713 is 1.5% of average load 0.117713 LDB: TIME 9154.82 LOAD: AVG 0.117713 MAX 0.180886 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.84 MB LDB: TIME 9154.82 LOAD: AVG 0.117713 MAX 0.180886 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: TIME 9154.82 LOAD: AVG 0.117713 MAX 0.180886 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9154.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9154.83 PRESSURE: 3152400 68.9936 -110.28 -53.5157 -110.28 -75.8429 -178.909 -53.5158 -178.909 116.777 GPRESSURE: 3152400 85.9336 -85.6903 -60.9184 -224.489 -31.4562 -166.288 -31.4429 -137.568 162.76 PRESSAVG: 3152400 -27.0326 -30.6046 -15.7547 -30.6047 -4.34746 -36.0001 -15.7547 -36.0001 41.896 GPRESSAVG: 3152400 -26.8704 -28.8338 -14.7663 -30.4419 -5.23684 -34.7805 -18.1118 -36.9933 43.2325 TIMING: 3152400 CPU: 9151.65, 0.00298753/step Wall: 9151.65, 0.00298753/step, 1.53327 hours remaining, 206.644531 MB of memory in use. ENERGY: 3152400 740.4645 2126.4582 2001.8168 124.2764 -206925.3533 17992.0309 0.0000 0.0000 33966.2296 -149974.0770 296.6355 -183940.3066 -149882.0020 298.1345 36.6425 72.4124 555364.3240 3.5053 3.7084 PRESSURE: 3152600 -366.262 96.992 -15.4791 96.9936 -123.92 -67.1123 -15.479 -67.1093 -112.492 GPRESSURE: 3152600 -331.152 161.414 -71.5095 20.1966 -99.7408 13.3594 33.4842 -83.0785 -72.4615 PRESSAVG: 3152600 30.7296 -79.919 -29.1039 -79.9191 -10.9818 -1.86395 -29.1039 -1.86406 -40.5142 GPRESSAVG: 3152600 30.8506 -80.3085 -31.3578 -80.4216 -9.87083 -2.16144 -28.6118 -0.605468 -41.9616 TIMING: 3152600 CPU: 9152.23, 0.0028908/step Wall: 9152.23, 0.0028908/step, 1.48346 hours remaining, 206.847656 MB of memory in use. ENERGY: 3152600 774.1680 2052.6244 1958.6874 115.0433 -206584.7117 17613.7841 0.0000 0.0000 34140.8353 -149929.5691 298.1604 -184070.4044 -149835.3485 297.0924 -200.8912 -167.7849 555964.3134 -6.9222 -6.9940 PRESSURE: 3152800 -140.153 116.196 -78.5259 116.195 -6.59187 -54.1578 -78.5268 -54.1571 -136.357 GPRESSURE: 3152800 -96.3579 116.032 -104.521 46.2401 18.2335 -71.1296 -35.3764 -31.8644 -106.126 PRESSAVG: 3152800 70.0307 23.0042 -13.0214 23.004 9.04396 -43.6713 -13.0214 -43.6712 -27.931 GPRESSAVG: 3152800 70.1068 22.1968 -12.4538 22.3852 9.63928 -43.2582 -12.9928 -44.94 -28.7741 TIMING: 3152800 CPU: 9152.81, 0.00290595/step Wall: 9152.81, 0.00290595/step, 1.49107 hours remaining, 206.847656 MB of memory in use. ENERGY: 3152800 805.1274 2072.9918 1969.8919 114.2429 -206775.0608 17860.1598 0.0000 0.0000 33993.2446 -149959.4024 296.8715 -183952.6470 -149859.4461 296.3030 -94.3674 -61.4168 556653.8528 17.0479 16.9907 PRESSURE: 3153000 -155.773 94.3692 -4.75744 94.369 -55.8108 67.0197 -4.75697 67.0196 122.849 GPRESSURE: 3153000 -148.691 81.2202 -170.661 148.905 1.18084 105.082 70.3669 51.2346 145.486 PRESSAVG: 3153000 14.3015 -8.90939 -13.6406 -8.9094 34.9628 72.2447 -13.6407 72.2446 -58.2426 GPRESSAVG: 3153000 14.3733 -9.21968 -11.5534 -7.78836 34.759 70.0591 -13.6415 73.2617 -57.8932 TIMING: 3153000 CPU: 9153.39, 0.00289653/step Wall: 9153.39, 0.00289653/step, 1.48608 hours remaining, 206.847656 MB of memory in use. ENERGY: 3153000 755.9186 2104.9941 1955.3184 102.9691 -206594.1077 17752.4564 0.0000 0.0000 34080.6596 -149841.7913 297.6349 -183922.4509 -149747.7447 297.3244 -29.5783 -0.6747 556529.0594 -2.9928 -2.9203 PRESSURE: 3153200 -347.757 -94.5525 -88.9977 -94.5525 -109.426 114.536 -88.9978 114.535 -88.7377 GPRESSURE: 3153200 -323.883 -147.988 -103.867 -58.8029 -36.9968 121.418 -42.7655 77.2391 -85.2423 PRESSAVG: 3153200 -19.1717 63.5941 -15.3693 63.594 62.807 -12.0821 -15.3694 -12.0821 -27.2491 GPRESSAVG: 3153200 -18.5433 63.7246 -16.2393 63.595 62.2296 -10.1877 -16.2126 -11.4873 -26.6885 TIMING: 3153200 CPU: 9153.98, 0.00292218/step Wall: 9153.98, 0.00292218/step, 1.49908 hours remaining, 206.847656 MB of memory in use. ENERGY: 3153200 739.6249 2067.3309 1949.1967 107.8482 -206353.4780 17386.3750 0.0000 0.0000 34298.1948 -149804.9075 299.5347 -184103.1024 -149707.7421 298.0453 -181.9733 -148.7075 554720.8148 5.4620 5.6659 PRESSURE: 3153400 -149.786 132.808 95.8536 132.809 -125.659 -74.7662 95.8527 -74.7648 50.2526 GPRESSURE: 3153400 -59.6152 125.319 123.616 129.162 -79.0341 -124.189 -36.8023 -26.1172 8.8881 PRESSAVG: 3153400 -9.71463 26.7183 10.1385 26.7182 -0.568037 13.9241 10.1386 13.9241 -15.0471 GPRESSAVG: 3153400 -10.1952 27.1966 10.9636 25.1044 -0.274984 12.9817 9.51014 13.4282 -14.9487 TIMING: 3153400 CPU: 9154.56, 0.00292028/step Wall: 9154.56, 0.00292028/step, 1.49794 hours remaining, 206.847656 MB of memory in use. ENERGY: 3153400 759.6216 2105.4561 1951.1524 112.4784 -206607.0426 17650.8825 0.0000 0.0000 34062.8402 -149964.6113 297.4793 -184027.4515 -149865.8510 297.3717 -75.0639 -43.2537 556878.0698 -8.4433 -8.4730 PRESSURE: 3153600 192.973 96.9194 -38.3742 96.9187 404.084 49.2616 -38.3743 49.2629 73.5378 GPRESSURE: 3153600 226.153 139.851 -83.7036 38.7067 412.343 -43.3813 17.5741 9.32481 120.311 PRESSAVG: 3153600 -28.5129 55.4673 41.7238 55.4673 82.3234 14.8639 41.7238 14.864 3.72602 GPRESSAVG: 3153600 -30.2716 55.5846 40.5255 56.7156 83.555 16.3318 44.2632 12.8087 4.12418 TIMING: 3153600 CPU: 9155.14, 0.00288683/step Wall: 9155.14, 0.00288683/step, 1.48062 hours remaining, 206.847656 MB of memory in use. ENERGY: 3153600 704.8449 2078.5503 1950.4587 103.6220 -206885.5384 18165.6741 0.0000 0.0000 33874.5762 -150007.8123 295.8351 -183882.3885 -149912.4579 297.4220 223.5316 252.9356 554696.1746 19.1788 19.1359 PRESSURE: 3153800 68.3496 -255.461 -129.163 -255.46 85.435 68.291 -129.164 68.2904 -217.41 GPRESSURE: 3153800 83.2567 -260.59 -75.922 -314.102 128.664 5.49282 -118.286 168.419 -183.046 PRESSAVG: 3153800 -8.99805 4.69085 -23.9406 4.69086 24.2173 12.2571 -23.9405 12.2572 -32.1375 GPRESSAVG: 3153800 -7.64407 3.79886 -22.9793 5.38131 21.8485 12.2992 -24.7129 13.2236 -31.0362 TIMING: 3153800 CPU: 9155.72, 0.00290689/step Wall: 9155.72, 0.00290689/step, 1.49075 hours remaining, 206.847656 MB of memory in use. ENERGY: 3153800 758.2158 2075.6786 1944.2210 100.8813 -206687.8983 17972.8909 0.0000 0.0000 33934.6276 -149901.3832 296.3595 -183836.0108 -149810.0082 297.0937 -21.2085 9.6246 556365.3626 -5.6394 -5.6106 PRESSURE: 3154000 3.10372 93.3018 -50.9875 93.3027 -259.284 128.716 -50.9864 128.715 -242.701 GPRESSURE: 3154000 -25.4934 112.018 69.865 112.126 -216.371 67.3154 -171.964 80.703 -153.34 PRESSAVG: 3154000 26.6343 -50.3722 -16.292 -50.3722 5.60985 40.1238 -16.292 40.1238 -13.2114 GPRESSAVG: 3154000 26.6119 -51.271 -17.2341 -50.8882 5.84193 38.4457 -16.4178 41.5563 -13.6653 TIMING: 3154000 CPU: 9156.3, 0.00290321/step Wall: 9156.3, 0.00290321/step, 1.4887 hours remaining, 206.847656 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: 3154000 732.4709 2080.5890 1953.6136 109.9356 -206044.8166 17597.5179 0.0000 0.0000 33956.0634 -149614.6261 296.5467 -183570.6895 -149515.8480 297.3280 -166.2936 -131.7346 556354.0794 6.3443 6.2628 PRESSURE: 3154200 17.1711 -106.206 -138.385 -106.206 -38.2548 -25.5367 -138.384 -25.5365 -39.5461 GPRESSURE: 3154200 34.013 -68.6143 -75.4551 -167.621 -15.4816 -40.5967 -156.621 -97.3022 18.4422 PRESSAVG: 3154200 -3.29949 -22.2238 -56.8945 -22.2239 6.41995 16.8032 -56.8946 16.8032 3.38538 GPRESSAVG: 3154200 -2.92564 -22.3231 -55.6662 -24.0907 7.53868 20.2285 -56.9807 13.5033 2.25546 TIMING: 3154200 CPU: 9156.88, 0.00289788/step Wall: 9156.88, 0.00289788/step, 1.48581 hours remaining, 206.847656 MB of memory in use. ENERGY: 3154200 744.3318 1957.1470 1974.5508 112.6027 -205942.8111 17670.3618 0.0000 0.0000 33968.2401 -149515.5768 296.6531 -183483.8169 -149417.3913 298.0117 -20.2099 12.3246 556275.0828 2.1686 2.2895 PRESSURE: 3154400 -106.586 -1.78281 90.931 -1.7837 39.5669 -46.9483 90.9306 -46.949 -6.1042 GPRESSURE: 3154400 -92.6198 -77.574 56.5698 16.489 69.5236 -53.0969 117.515 -96.9783 31.0651 PRESSAVG: 3154400 -30.7208 -27.5447 -34.1107 -27.5448 -17.0503 2.7256 -34.1106 2.72557 22.6295 GPRESSAVG: 3154400 -30.0607 -26.4835 -34.0369 -25.1724 -17.4604 1.06531 -34.7218 3.83111 22.4684 TIMING: 3154400 CPU: 9157.46, 0.00291547/step Wall: 9157.46, 0.00291547/step, 1.49466 hours remaining, 206.847656 MB of memory in use. ENERGY: 3154400 750.5847 2108.6481 1950.3212 108.8021 -206197.8624 17851.7755 0.0000 0.0000 33992.2426 -149435.4882 296.8627 -183427.7308 -149337.3749 298.3411 -24.3743 2.6563 558540.8382 -8.3805 -8.3509 PRESSURE: 3154600 -56.6261 133.361 -26.7998 133.361 -262.8 -10.4088 -26.7992 -10.4098 223.604 GPRESSURE: 3154600 2.59483 118.391 60.852 113.193 -287.388 27.7933 -14.9855 10.2263 279.154 PRESSAVG: 3154600 -41.0734 63.5315 -2.98572 63.5314 10.2216 17.3344 -2.98559 17.3344 8.48039 GPRESSAVG: 3154600 -41.848 63.8795 -4.19879 62.8683 10.8668 17.6628 -2.1508 19.1375 8.93206 TIMING: 3154600 CPU: 9158.05, 0.00292766/step Wall: 9158.05, 0.00292766/step, 1.50075 hours remaining, 206.847656 MB of memory in use. ENERGY: 3154600 735.1642 2102.9054 1948.4013 114.8775 -206327.0814 17780.5894 0.0000 0.0000 34248.0199 -149397.1237 299.0965 -183645.1437 -149293.7860 298.7284 -31.9406 -1.8798 557331.9148 -7.4571 -7.3497 PRESSURE: 3154800 -187.865 87.4199 -129.805 87.4205 -178.388 146.667 -129.806 146.667 5.61472 GPRESSURE: 3154800 -200.074 51.5442 -130.911 106.56 -121.705 66.9318 -123.858 189.627 55.6991 PRESSAVG: 3154800 -9.62379 35.5884 -2.05412 35.5883 50.0093 21.9614 -2.05405 21.9614 -1.85861 GPRESSAVG: 3154800 -8.89729 35.9763 -0.573238 35.2064 49.4439 20.0107 -4.11224 20.447 -1.61992 TIMING: 3154800 CPU: 9158.63, 0.0028997/step Wall: 9158.63, 0.0028997/step, 1.48626 hours remaining, 206.847656 MB of memory in use. ENERGY: 3154800 731.0393 2070.0729 1953.9705 117.1739 -206301.8902 17714.5538 0.0000 0.0000 34308.6572 -149406.4227 299.6260 -183715.0799 -149306.2382 298.9851 -120.2127 -88.6932 558220.9611 12.8423 12.9755 PRESSURE: 3155000 160.736 13.7616 29.6809 13.7606 -83.4491 220.476 29.6819 220.474 -29.0364 GPRESSURE: 3155000 113.357 -39.6082 11.9097 63.6371 -61.7203 161.152 34.7094 223.226 95.87 PRESSAVG: 3155000 32.3082 49.5151 -45.5283 49.515 -6.02484 -17.5158 -45.5282 -17.5158 -2.82631 GPRESSAVG: 3155000 31.3704 48.1598 -46.565 49.953 -5.16712 -16.3376 -42.6683 -17.6012 -2.1219 TIMING: 3155000 CPU: 9159.21, 0.00288226/step Wall: 9159.21, 0.00288226/step, 1.47716 hours remaining, 206.847656 MB of memory in use. ENERGY: 3155000 748.0769 2125.5725 1979.0543 116.6854 -206057.2570 17865.8956 0.0000 0.0000 34221.9885 -148999.9837 298.8691 -183221.9722 -148902.7211 299.0997 16.0835 49.1690 558150.4718 7.8190 8.0271 PRESSURE: 3155200 47.0086 92.6894 7.67968 92.6888 -23.475 134.586 7.68019 134.586 -338.383 GPRESSURE: 3155200 55.6337 96.4419 -93.9394 87.7075 -4.92322 102.062 16.3207 125.697 -263.969 PRESSAVG: 3155200 28.2757 0.295785 39.2642 0.295784 35.7247 19.6596 39.264 19.6595 -88.1544 GPRESSAVG: 3155200 28.5688 0.615293 39.9652 0.304912 34.9031 21.4959 38.2293 18.4566 -87.4063 TIMING: 3155200 CPU: 9159.78, 0.00289083/step Wall: 9159.78, 0.00289083/step, 1.48139 hours remaining, 206.847656 MB of memory in use. ENERGY: 3155200 769.8509 2031.2146 1975.1703 119.6845 -206125.9872 17814.4588 0.0000 0.0000 34308.1431 -149107.4651 299.6215 -183415.6082 -149007.4506 299.7479 -104.9499 -71.0861 559001.5216 -8.0513 -7.9781 PRESSURE: 3155400 149.491 -101.212 -122.852 -101.212 12.1795 -13.9454 -122.852 -13.9465 -6.43593 GPRESSURE: 3155400 162.02 -65.9367 -106.797 -120.875 135.785 10.2615 -29.0048 67.3077 -31.0925 PRESSAVG: 3155400 8.99124 -17.2137 30.5817 -17.2137 91.0957 -7.54143 30.5818 -7.54129 -128.117 GPRESSAVG: 3155400 10.1506 -17.2489 29.4392 -17.61 91.2895 -8.89839 32.2711 -5.87177 -129.415 TIMING: 3155400 CPU: 9160.36, 0.00287962/step Wall: 9160.36, 0.00287962/step, 1.47549 hours remaining, 206.847656 MB of memory in use. ENERGY: 3155400 715.5374 2122.8793 1963.4172 117.0135 -206120.9045 17908.3522 0.0000 0.0000 34259.4608 -149034.2441 299.1964 -183293.7050 -148929.1746 299.6763 51.7448 88.9041 558615.2505 -9.3432 -9.3251 PRESSURE: 3155600 154.71 -103.334 82.6032 -103.335 9.50184 -77.3353 82.6035 -77.3352 -23.9701 GPRESSURE: 3155600 106.407 -107.451 48.27 -32.9016 42.4943 -77.6292 145.363 -45.5279 79.7247 PRESSAVG: 3155600 -6.03601 17.7736 25.5763 17.7735 38.7791 10.3663 25.5763 10.3663 -40.9293 GPRESSAVG: 3155600 -6.62879 19.0281 27.0984 17.1197 39.2571 10.1276 23.4473 10.6214 -40.5415 TIMING: 3155600 CPU: 9160.94, 0.00287914/step Wall: 9160.94, 0.00287914/step, 1.47508 hours remaining, 206.847656 MB of memory in use. ENERGY: 3155600 747.4223 2122.7860 1987.0702 108.3010 -206257.3380 17890.5224 0.0000 0.0000 34299.3328 -149101.9033 299.5446 -183401.2361 -149015.5742 299.9702 46.7474 76.2087 557524.3985 -2.7287 -2.6377 PRESSURE: 3155800 38.8777 13.5777 68.122 13.5779 105.523 86.7423 68.1225 86.7434 -76.8452 GPRESSURE: 3155800 30.0972 -104.077 -12.0322 49.0621 119.387 117.21 64.0226 31.7631 14.3362 PRESSAVG: 3155800 52.9065 -20.8182 9.59853 -20.8182 -3.89671 -23.1852 9.59866 -23.1851 -13.1979 GPRESSAVG: 3155800 53.0946 -21.9526 9.75199 -18.1424 -3.57758 -23.1218 10.9455 -23.6811 -13.694 TIMING: 3155800 CPU: 9161.52, 0.00289931/step Wall: 9161.52, 0.00289931/step, 1.48525 hours remaining, 206.847656 MB of memory in use. ENERGY: 3155800 760.2842 2096.9174 1978.5530 122.1137 -206449.5586 17973.9459 0.0000 0.0000 34375.8793 -149141.8651 300.2131 -183517.7444 -149033.8824 299.3804 22.5186 54.6069 558444.9481 11.9373 11.9410 PRESSURE: 3156000 -165.709 -94.9798 -104.116 -94.9808 28.2815 -47.9255 -104.115 -47.9268 -97.866 GPRESSURE: 3156000 -77.4218 -141.543 -21.4609 -25.7372 40.9979 -80.4604 -161.807 27.2893 -104.517 PRESSAVG: 3156000 -12.094 3.91184 -73.1654 3.91175 -8.06176 -10.7477 -73.1653 -10.7478 6.32831 GPRESSAVG: 3156000 -11.5625 4.76144 -74.8134 1.16858 -9.0895 -11.0971 -73.8386 -10.3838 6.612 TIMING: 3156000 CPU: 9162.09, 0.00289212/step Wall: 9162.09, 0.00289212/step, 1.48141 hours remaining, 206.847656 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: 3156000 749.3216 2098.1130 1979.9119 112.4035 -206034.6038 17769.7021 0.0000 0.0000 34327.7935 -148997.3582 299.7932 -183325.1517 -148900.0991 299.2257 -78.4311 -46.9804 558629.4568 -4.6091 -4.6800 PRESSURE: 3156200 95.3679 51.5385 101.568 51.5383 75.3053 -27.7756 101.567 -27.7757 -105.71 GPRESSURE: 3156200 80.5317 136.078 111.865 13.9231 127.795 -28.7077 89.5569 17.1323 -37.8487 PRESSAVG: 3156200 20.0503 14.1419 19.2365 14.1419 -12.9295 24.9201 19.2365 24.9201 6.82323 GPRESSAVG: 3156200 19.6214 14.1611 22.4998 15.4291 -11.9596 23.5798 18.5118 25.2955 6.58258 TIMING: 3156200 CPU: 9162.67, 0.00287949/step Wall: 9162.67, 0.00287949/step, 1.47478 hours remaining, 206.847656 MB of memory in use. ENERGY: 3156200 746.1161 2100.8350 1974.9621 122.6311 -206211.7010 17827.6127 0.0000 0.0000 34350.8947 -149088.6493 299.9949 -183439.5439 -148991.8805 299.5959 21.6545 56.8262 558133.9462 4.6480 4.7481 LDB: ============= START OF LOAD BALANCING ============== 9166.14 LDB: ============== END OF LOAD BALANCING =============== 9166.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9166.14 LDB: ============= START OF LOAD BALANCING ============== 9166.43 LDB: Largest compute 4848 load 0.027919 is 23.7% of average load 0.117781 LDB: Average compute 0.001711 is 1.5% of average load 0.117781 LDB: TIME 9166.43 LOAD: AVG 0.117781 MAX 0.178644 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 9166.43 LOAD: AVG 0.117781 MAX 0.178644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 9166.43 LOAD: AVG 0.117781 MAX 0.178644 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 9166.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9166.44 PRESSURE: 3156400 -80.5307 36.9931 59.0894 36.9921 88.4649 25.5957 59.0884 25.5949 -95.8927 GPRESSURE: 3156400 -37.4673 14.6695 86.154 27.9838 107.706 79.7912 40.9687 -12.6658 -66.4699 PRESSAVG: 3156400 37.0504 -4.87188 36.9309 -4.87174 -22.7009 -21.9301 36.9308 -21.93 23.5519 GPRESSAVG: 3156400 35.9898 -5.04024 34.3051 -6.26525 -22.0862 -20.3148 38.4489 -20.9861 22.97 TIMING: 3156400 CPU: 9163.26, 0.0029564/step Wall: 9163.26, 0.0029564/step, 1.51401 hours remaining, 206.718750 MB of memory in use. ENERGY: 3156400 747.2687 2093.3002 1994.4606 114.6797 -206284.8876 17898.0861 0.0000 0.0000 34144.6993 -149292.3929 298.1942 -183437.0922 -149200.5879 299.0435 -29.3195 1.2561 559831.0276 12.6338 12.2912 PRESSURE: 3156600 -113.097 -27.1363 -74.1489 -27.1356 -103.423 30.6503 -74.1485 30.6507 -126.801 GPRESSURE: 3156600 -93.0475 -47.6266 -185.065 -63.5748 -46.2231 97.0227 -46.6552 35.4982 -85.8508 PRESSAVG: 3156600 -43.5172 -42.0507 -51.8626 -42.0507 3.14598 -2.62993 -51.8626 -2.62998 5.00458 GPRESSAVG: 3156600 -41.696 -41.5728 -52.2878 -41.8828 2.47231 -2.93782 -52.1548 -3.18621 4.2024 TIMING: 3156600 CPU: 9163.84, 0.00289791/step Wall: 9163.84, 0.00289791/step, 1.48389 hours remaining, 206.921875 MB of memory in use. ENERGY: 3156600 747.2228 2110.0741 1939.1560 108.6799 -206019.3675 17670.0104 0.0000 0.0000 34185.0247 -149259.1995 298.5463 -183444.2242 -149160.8039 298.5987 -114.4402 -75.0405 557936.5567 -11.7889 -11.6738 PRESSURE: 3156800 -88.2613 -24.1415 3.40332 -24.1408 -71.5292 -64.3086 3.40389 -64.3079 -288.212 GPRESSURE: 3156800 -51.8687 10.7221 46.2562 10.9647 -24.7281 -42.9626 16.2589 -44.7477 -268.902 PRESSAVG: 3156800 -0.647643 -36.0244 -9.79721 -36.0243 -70.2378 14.5003 -9.79728 14.5004 23.5497 GPRESSAVG: 3156800 -1.86139 -37.8027 -8.80044 -35.4408 -70.9141 15.8412 -9.87106 14.1909 25.0279 TIMING: 3156800 CPU: 9164.42, 0.00289932/step Wall: 9164.42, 0.00289932/step, 1.48445 hours remaining, 206.992188 MB of memory in use. ENERGY: 3156800 755.8090 2084.6011 1985.0376 115.8759 -206041.2733 17754.0739 0.0000 0.0000 34126.0346 -149219.8412 298.0311 -183345.8758 -149129.4504 298.7702 -149.3340 -115.1664 559245.6749 -15.7786 -15.9159 PRESSURE: 3157000 -89.4472 -102.716 -68.5752 -102.715 -112.613 40.3118 -68.5754 40.3104 -186.769 GPRESSURE: 3157000 -69.2605 -115.16 50.8801 -49.5897 -83.8869 51.9675 -116.342 24.2098 -127.722 PRESSAVG: 3157000 23.0255 12.3588 15.6878 12.3588 12.9729 -18.5036 15.6878 -18.5036 2.16978 GPRESSAVG: 3157000 22.5313 11.3996 16.4918 12.4436 14.2572 -18.9268 15.6088 -16.7935 1.05044 TIMING: 3157000 CPU: 9165, 0.00289088/step Wall: 9165, 0.00289088/step, 1.47997 hours remaining, 206.992188 MB of memory in use. ENERGY: 3157000 802.7121 2068.9545 1948.2774 113.3392 -206368.9547 17958.1343 0.0000 0.0000 34271.4782 -149206.0591 299.3013 -183477.5373 -149106.5365 299.2384 -129.6098 -93.6230 559515.9010 12.7227 12.6130 PRESSURE: 3157200 -131.309 -11.6725 -29.3546 -11.6741 -87.3498 66.9617 -29.3559 66.9609 -62.5926 GPRESSURE: 3157200 -76.2634 -35.205 -15.6293 58.1156 9.82432 -44.9686 35.5942 117.687 -102.981 PRESSAVG: 3157200 -56.7041 6.19109 36.5924 6.19105 53.3749 35.9169 36.5924 35.9169 -28.3501 GPRESSAVG: 3157200 -56.3474 7.64452 38.6724 3.81004 52.8993 35.3971 35.6288 33.9925 -28.235 TIMING: 3157200 CPU: 9165.58, 0.00290296/step Wall: 9165.58, 0.00290296/step, 1.48599 hours remaining, 206.992188 MB of memory in use. ENERGY: 3157200 773.6968 2085.9075 1971.3141 112.7948 -206531.3875 17852.6916 0.0000 0.0000 34431.7279 -149303.2548 300.7008 -183734.9827 -149202.9369 298.4102 -93.7504 -56.4735 557936.1086 -10.5598 -10.5610 PRESSURE: 3157400 165.803 -37.6726 -29.545 -37.673 -65.0352 23.2085 -29.5459 23.2097 31.8507 GPRESSURE: 3157400 192.23 16.0234 -19.0516 -60.5668 -56.5387 49.0471 -9.77559 -18.5411 94.7441 PRESSAVG: 3157400 -16.1158 18.8965 3.15949 18.8965 18.047 -27.0576 3.15947 -27.0576 30.5204 GPRESSAVG: 3157400 -15.0401 18.874 -1.06678 19.0336 16.0711 -26.6156 4.60048 -27.4881 31.8662 TIMING: 3157400 CPU: 9166.16, 0.00290341/step Wall: 9166.16, 0.00290341/step, 1.48606 hours remaining, 206.992188 MB of memory in use. ENERGY: 3157400 768.6591 2074.4365 1967.0482 108.2915 -205968.3291 17797.8226 0.0000 0.0000 34119.5986 -149132.4727 297.9749 -183252.0712 -149038.5805 299.1085 44.2062 76.8117 557413.3142 10.8172 10.9657 PRESSURE: 3157600 21.1184 -16.4107 -165.194 -16.4107 -149.104 -69.962 -165.193 -69.9626 -224.394 GPRESSURE: 3157600 -11.8799 -56.5907 -259.884 4.63505 -94.2465 -45.2371 -127.176 -2.73 -157.1 PRESSAVG: 3157600 23.207 -10.3128 -51.1882 -10.3128 -22.8592 -12.7234 -51.1882 -12.7234 -14.8639 GPRESSAVG: 3157600 21.6546 -9.56268 -49.2423 -9.86691 -20.7563 -13.3692 -51.0097 -13.4812 -16.0002 TIMING: 3157600 CPU: 9166.75, 0.00293545/step Wall: 9166.75, 0.00293545/step, 1.5023 hours remaining, 206.992188 MB of memory in use. ENERGY: 3157600 719.1050 2134.0575 1971.6609 109.0728 -205909.4154 17723.7463 0.0000 0.0000 34315.2546 -148936.5183 299.6837 -183251.7729 -148833.2423 299.4331 -117.4600 -87.7420 559032.0997 -4.8387 -5.0340 PRESSURE: 3157800 -97.4216 82.8476 -77.3867 82.8472 -67.6907 -74.9133 -77.3851 -74.9127 -117.453 GPRESSURE: 3157800 -53.6346 97.5226 -139.492 67.9029 -13.1778 -119.922 -46.9054 -50.9674 -118.386 PRESSAVG: 3157800 14.0369 35.0493 1.89883 35.0492 -24.007 16.6457 1.89897 16.6456 14.8818 GPRESSAVG: 3157800 15.0716 34.9978 2.19868 35.3168 -25.3269 18.7111 1.26222 16.3654 15.8951 TIMING: 3157800 CPU: 9167.33, 0.00293532/step Wall: 9167.33, 0.00293532/step, 1.50207 hours remaining, 206.992188 MB of memory in use. ENERGY: 3157800 758.1320 2113.1987 1970.6981 134.7633 -206079.0478 17731.5040 0.0000 0.0000 34466.9864 -148903.7653 301.0088 -183370.7517 -148808.2991 300.0725 -94.1883 -61.7327 559846.3592 1.6372 1.8799 PRESSURE: 3158000 106.485 -36.3235 246.455 -36.3231 -213.705 -218.805 246.454 -218.805 -95.3156 GPRESSURE: 3158000 117.536 13.2297 197.435 -98.3101 -188.031 -224.25 261.025 -168.493 -29.4564 PRESSAVG: 3158000 39.0777 24.6975 39.2593 24.6975 17.0351 -26.3462 39.2593 -26.3462 -48.6347 GPRESSAVG: 3158000 37.7475 23.85 39.317 25.5255 17.8632 -28.5341 38.8272 -25.1364 -47.8691 TIMING: 3158000 CPU: 9167.92, 0.00290871/step Wall: 9167.92, 0.00290871/step, 1.48829 hours remaining, 206.992188 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: 3158000 742.8613 2067.3331 1968.5679 110.3577 -205794.3905 17696.9503 0.0000 0.0000 34419.7675 -148788.5527 300.5964 -183208.3203 -148698.2994 299.8045 -67.5116 -33.3171 559431.5950 2.4927 2.5805 PRESSURE: 3158200 -53.4674 19.4655 -65.7061 19.4664 211.945 -164.966 -65.7058 -164.966 -16.807 GPRESSURE: 3158200 -32.8229 -5.87369 -113.114 22.4106 221.022 -96.1628 -55.0147 -197.235 42.5871 PRESSAVG: 3158200 20.9255 8.91582 15.4047 8.91582 -8.82125 -83.3047 15.4047 -83.3046 7.22914 GPRESSAVG: 3158200 20.8506 8.63949 16.9193 9.6614 -8.53394 -81.9034 14.9095 -84.6974 6.6373 TIMING: 3158200 CPU: 9168.5, 0.00292206/step Wall: 9168.5, 0.00292206/step, 1.49496 hours remaining, 206.992188 MB of memory in use. ENERGY: 3158200 718.9192 2101.6229 1996.8502 114.4116 -205813.3254 17796.8997 0.0000 0.0000 34188.3357 -148896.2860 298.5752 -183084.6217 -148799.2243 299.8359 47.2234 76.9287 559153.6501 6.4445 6.3180 PRESSURE: 3158400 -252.455 67.668 168.459 67.6687 -1.97701 -33.1911 168.461 -33.1916 171.248 GPRESSURE: 3158400 -229.199 23.5058 131.92 42.7999 9.17152 -68.7722 163.331 -25.208 224.839 PRESSAVG: 3158400 38.5313 -25.5537 77.6749 -25.5537 -13.7581 -31.8717 77.6748 -31.8718 20.4067 GPRESSAVG: 3158400 38.4013 -24.4411 76.8172 -25.7947 -13.8208 -32.6013 79.3878 -31.1761 20.3905 TIMING: 3158400 CPU: 9169.08, 0.00291238/step Wall: 9169.08, 0.00291238/step, 1.48984 hours remaining, 206.992188 MB of memory in use. ENERGY: 3158400 712.8758 2106.4443 1947.5832 107.9716 -206031.0006 17824.3722 0.0000 0.0000 34264.5628 -149067.1907 299.2409 -183331.7534 -148966.9112 299.8398 -27.7282 1.6039 559718.8767 15.0600 14.9903 PRESSURE: 3158600 -47.3037 -185.569 145.882 -185.569 18.7074 -170.997 145.883 -170.996 -125.438 GPRESSURE: 3158600 4.0509 -136.374 178.521 -307.753 -1.82318 -125.168 52.3278 -249.028 -64.6219 PRESSAVG: 3158600 -41.6804 -64.2219 55.0538 -64.2218 6.06693 4.55223 55.0538 4.55217 41.623 GPRESSAVG: 3158600 -41.5066 -63.0941 54.8278 -65.6899 4.86068 4.52708 52.5495 4.60897 42.5216 TIMING: 3158600 CPU: 9169.67, 0.00291049/step Wall: 9169.67, 0.00291049/step, 1.48872 hours remaining, 206.992188 MB of memory in use. ENERGY: 3158600 749.2522 2080.8521 1960.5174 105.7231 -205912.6249 17799.2412 0.0000 0.0000 34077.1448 -149139.8941 297.6042 -183217.0389 -149049.1196 299.9383 -51.3448 -20.7981 558219.4826 2.0032 1.9586 PRESSURE: 3158800 218.569 38.2766 -55.0301 38.277 -3.29435 -79.4656 -55.0297 -79.466 32.7623 GPRESSURE: 3158800 224.672 88.3489 -74.9406 35.5791 20.8439 -62.8116 -69.6204 -103.784 109.173 PRESSAVG: 3158800 -62.2574 -21.8684 48.6983 -21.8685 55.5785 -17.9894 48.6982 -17.9893 64.3853 GPRESSAVG: 3158800 -62.0356 -22.509 47.458 -20.1535 57.8585 -18.715 51.4544 -16.7183 61.202 TIMING: 3158800 CPU: 9170.25, 0.00290296/step Wall: 9170.25, 0.00290296/step, 1.4847 hours remaining, 206.992188 MB of memory in use. ENERGY: 3158800 708.4302 2072.3036 1963.2148 112.7353 -206503.7245 18123.8109 0.0000 0.0000 34264.2048 -149259.0249 299.2378 -183523.2297 -149167.9266 298.8508 82.6791 118.2297 556840.1519 19.2354 19.0083 PRESSURE: 3159000 33.4012 47.0202 52.7471 47.0205 99.6141 268.389 52.7472 268.392 2.36717 GPRESSURE: 3159000 32.9518 13.6003 50.9626 41.9204 133.949 131.189 35.5815 349.299 72.301 PRESSAVG: 3159000 22.6939 19.4748 27.7638 19.4748 -58.4755 35.314 27.7638 35.314 34.4272 GPRESSAVG: 3159000 23.8654 18.2454 28.8731 18.6432 -60.5947 35.9385 26.794 35.4395 35.3955 TIMING: 3159000 CPU: 9170.82, 0.00288761/step Wall: 9170.82, 0.00288761/step, 1.47669 hours remaining, 206.992188 MB of memory in use. ENERGY: 3159000 718.4986 2056.7272 1945.5170 106.6159 -206160.7006 17813.6863 0.0000 0.0000 34006.8240 -149512.8315 296.9901 -183519.6555 -149415.3089 298.9979 45.1275 79.7339 557409.5590 -0.4514 -0.4446 PRESSURE: 3159200 -126.938 46.2652 -38.6429 46.2661 -245.78 75.9288 -38.6443 75.9293 -270.378 GPRESSURE: 3159200 -176.301 27.0647 -73.7511 2.76142 -178.519 132.178 -41.1161 57.9314 -190.432 PRESSAVG: 3159200 31.4348 34.7796 50.0778 34.7796 -50.1666 29.5152 50.0778 29.5151 -19.6123 GPRESSAVG: 3159200 28.5283 33.6763 48.6932 35.597 -47.4369 29.1049 50.5081 28.8664 -18.7859 TIMING: 3159200 CPU: 9171.4, 0.00288422/step Wall: 9171.4, 0.00288422/step, 1.4748 hours remaining, 206.992188 MB of memory in use. ENERGY: 3159200 765.0469 2051.3467 1963.0635 115.0880 -206025.7326 17423.1465 0.0000 0.0000 34182.8553 -149525.1859 298.5274 -183708.0411 -149429.4764 297.8103 -214.3653 -181.7506 557812.5953 -12.7814 -12.5648 PRESSURE: 3159400 -55.8401 27.812 -103.294 27.8113 -93.335 -224.561 -103.294 -224.561 133.714 GPRESSURE: 3159400 34.6681 5.70282 -157.732 26.4477 -116.078 -140.266 -169.15 -229.687 151.21 PRESSAVG: 3159400 71.6233 0.551107 19.3015 0.551105 -4.54932 33.0791 19.3015 33.079 -27.3576 GPRESSAVG: 3159400 71.6668 2.84602 21.6326 1.09338 -5.07156 34.0953 18.6836 30.432 -26.7749 TIMING: 3159400 CPU: 9171.97, 0.00287213/step Wall: 9171.97, 0.00287213/step, 1.46846 hours remaining, 206.992188 MB of memory in use. ENERGY: 3159400 740.1823 2139.7586 1984.8367 106.7621 -206076.1353 17702.1937 0.0000 0.0000 34096.1296 -149306.2723 297.7700 -183402.4019 -149210.3024 298.4155 -5.1539 23.2664 556077.8273 13.2388 13.2734 PRESSURE: 3159600 -336.798 -114.066 -55.1327 -114.066 -180.022 -67.6188 -55.1322 -67.6174 -331.606 GPRESSURE: 3159600 -325.666 -159.288 -83.982 -174.35 -157.598 -52.0407 -54.8 -56.4482 -261.87 PRESSAVG: 3159600 -34.2138 -9.56456 17.1736 -9.56461 -8.10718 -17.4089 17.1737 -17.4088 22.159 GPRESSAVG: 3159600 -32.4004 -10.0971 16.1996 -11.6766 -8.95445 -19.7257 17.1067 -14.5498 21.4636 TIMING: 3159600 CPU: 9172.55, 0.00289603/step Wall: 9172.55, 0.00289603/step, 1.48052 hours remaining, 206.992188 MB of memory in use. ENERGY: 3159600 746.6022 2077.2706 1979.6082 104.4270 -205646.0748 17329.0862 0.0000 0.0000 34197.4450 -149211.6356 298.6548 -183409.0806 -149108.4040 298.7460 -282.8088 -248.3780 558938.2860 -6.7207 -6.6304 PRESSURE: 3159800 46.8391 18.4082 27.9982 18.4084 29.4494 190.124 27.9985 190.126 -178.84 GPRESSURE: 3159800 65.2962 29.5892 -15.2367 76.2416 48.9804 190.393 13.0908 50.8856 -113.545 PRESSAVG: 3159800 -0.830828 -37.3726 39.7496 -37.3725 19.243 -12.9514 39.7497 -12.9515 -13.1857 GPRESSAVG: 3159800 -0.84987 -39.0001 39.2608 -36.8503 19.4616 -12.0401 40.5598 -14.7016 -13.4133 TIMING: 3159800 CPU: 9173.13, 0.00287178/step Wall: 9173.13, 0.00287178/step, 1.46796 hours remaining, 206.992188 MB of memory in use. ENERGY: 3159800 751.5076 2028.1023 1940.3285 110.1826 -205931.8011 17725.8164 0.0000 0.0000 34107.1394 -149268.7244 297.8661 -183375.8638 -149173.7221 299.0886 -34.1838 0.2438 558840.7983 1.7422 1.7328 PRESSURE: 3160000 5.27018 -248.866 -0.281422 -248.866 -191.523 28.2067 -0.280047 28.205 -166.722 GPRESSURE: 3160000 -11.9378 -188.05 -73.1642 -224.072 -98.1382 69.802 60.1294 20.1704 -155.026 PRESSAVG: 3160000 61.7579 -33.6106 -7.7437 -33.6107 11.6093 24.3502 -7.74371 24.3501 -46.233 GPRESSAVG: 3160000 60.9905 -33.0651 -7.22629 -31.7051 11.8802 25.6084 -8.39459 24.5601 -46.0589 TIMING: 3160000 CPU: 9173.71, 0.0028932/step Wall: 9173.71, 0.0028932/step, 1.47875 hours remaining, 206.992188 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: 3160000 743.2796 2098.8637 1982.3485 118.3809 -206255.2618 17786.4034 0.0000 0.0000 34207.7555 -149318.2302 298.7448 -183525.9857 -149221.3025 299.6932 -117.6581 -88.3672 558914.9915 9.0447 8.9372 PRESSURE: 3160200 -41.0158 57.2355 20.3664 57.2354 64.7029 -215.258 20.3679 -215.258 26.367 GPRESSURE: 3160200 -8.2216 63.9216 53.9757 39.3834 135.637 -220.457 -29.6622 -273.833 30.9736 PRESSAVG: 3160200 28.7847 -54.768 -0.293851 -54.7679 64.4807 -3.56527 -0.293764 -3.56528 -142.042 GPRESSAVG: 3160200 29.6597 -54.3969 -0.36301 -56.9 64.3713 -5.22983 -0.519559 -1.03407 -142.186 TIMING: 3160200 CPU: 9174.29, 0.00292113/step Wall: 9174.29, 0.00292113/step, 1.49286 hours remaining, 206.992188 MB of memory in use. ENERGY: 3160200 711.2782 2039.9640 1971.0496 109.5412 -206369.8234 17997.5917 0.0000 0.0000 34310.1251 -149230.2737 299.6389 -183540.3988 -149142.6741 299.5012 16.6847 52.7964 559145.8274 -16.2590 -16.0515 LDB: ============= START OF LOAD BALANCING ============== 9177.76 LDB: ============== END OF LOAD BALANCING =============== 9177.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9177.76 LDB: ============= START OF LOAD BALANCING ============== 9178.05 LDB: Largest compute 4848 load 0.027887 is 23.7% of average load 0.117807 LDB: Average compute 0.001707 is 1.4% of average load 0.117807 LDB: TIME 9178.06 LOAD: AVG 0.117807 MAX 0.177742 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 9178.06 LOAD: AVG 0.117807 MAX 0.177742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: TIME 9178.06 LOAD: AVG 0.117807 MAX 0.177742 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.152 MB LDB: ============== END OF LOAD BALANCING =============== 9178.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9178.06 PRESSURE: 3160400 290.653 48.5439 -101.416 48.5444 -81.8948 17.723 -101.417 17.7239 -101.832 GPRESSURE: 3160400 324.463 10.8643 -149.551 100.912 -82.0051 24.5497 -120.81 -6.72508 -35.3789 PRESSAVG: 3160400 29.8011 -24.4576 8.59105 -24.4576 -7.43984 -10.5302 8.59104 -10.5302 -10.674 GPRESSAVG: 3160400 28.847 -24.6386 7.93341 -25.5988 -6.77651 -9.40545 9.00998 -12.3466 -10.2579 TIMING: 3160400 CPU: 9174.89, 0.0029772/step Wall: 9174.89, 0.0029772/step, 1.52135 hours remaining, 205.687500 MB of memory in use. ENERGY: 3160400 717.5649 2108.0539 1989.9503 106.9839 -206234.7218 17937.8718 0.0000 0.0000 34244.0719 -149130.2251 299.0620 -183374.2970 -149033.3857 299.7154 35.6423 69.0262 556985.5587 3.8958 3.9375 PRESSURE: 3160600 123.448 0.0363173 51.6024 0.0352629 -212.194 10.7213 51.601 10.7217 -77.4416 GPRESSURE: 3160600 180.578 -38.0063 13.2647 -79.08 -180.211 37.7451 139.109 0.397906 -73.8261 PRESSAVG: 3160600 70.8134 -13.8824 -15.8424 -13.8823 -26.1695 9.35853 -15.8424 9.35852 -43.6358 GPRESSAVG: 3160600 71.5875 -14.6533 -14.4953 -13.2324 -26.0185 8.53749 -15.9276 8.91827 -44.3997 TIMING: 3160600 CPU: 9175.47, 0.00289292/step Wall: 9175.47, 0.00289292/step, 1.47812 hours remaining, 205.945312 MB of memory in use. ENERGY: 3160600 741.4867 2102.7997 1981.9062 97.7426 -206431.9971 17904.5414 0.0000 0.0000 34242.7701 -149360.7504 299.0506 -183603.5205 -149264.4405 299.2329 -55.3958 -24.4861 557967.8238 0.3360 0.3898 PRESSURE: 3160800 -61.6521 -82.428 -3.3249 -82.4276 -68.9748 77.0027 -3.32503 77.0052 234.649 GPRESSURE: 3160800 -7.30199 -228.295 -134.626 -28.4798 -23.355 122.438 25.9499 70.5962 238.659 PRESSAVG: 3160800 0.760187 -16.4099 -8.39342 -16.4099 -18.3088 58.985 -8.39334 58.9851 20.1995 GPRESSAVG: 3160800 1.26038 -15.5973 -9.2833 -14.1581 -18.1868 59.5808 -8.57763 59.4943 19.6349 TIMING: 3160800 CPU: 9176.04, 0.00289785/step Wall: 9176.04, 0.00289785/step, 1.48048 hours remaining, 205.945312 MB of memory in use. ENERGY: 3160800 767.3385 2102.5087 1976.4231 120.1588 -206503.1816 18055.4046 0.0000 0.0000 34316.9871 -149164.3608 299.6988 -183481.3479 -149072.4059 299.4324 34.6741 69.3340 556610.0157 0.8836 0.9028 PRESSURE: 3161000 -182.85 -188.637 201.317 -188.638 -44.0823 -131.396 201.316 -131.396 -27.7449 GPRESSURE: 3161000 -164.35 -224.301 126.49 -123.391 -33.4194 -87.3855 251.371 -116.865 36.9202 PRESSAVG: 3161000 -61.034 -50.5601 35.2438 -50.5601 1.8876 6.76615 35.2438 6.76619 59.506 GPRESSAVG: 3161000 -61.7637 -52.9192 36.2561 -51.0621 1.69642 5.62512 35.5386 10.1565 60.4218 TIMING: 3161000 CPU: 9176.62, 0.0028977/step Wall: 9176.62, 0.0028977/step, 1.48024 hours remaining, 205.945312 MB of memory in use. ENERGY: 3161000 794.5620 2072.2439 1973.8337 111.1011 -206136.8202 17771.3928 0.0000 0.0000 34204.2678 -149209.4189 298.7144 -183413.6867 -149105.6578 299.1731 -84.8923 -53.6164 556911.7801 0.1199 0.1182 PRESSURE: 3161200 -332.42 99.9465 100.684 99.9471 10.0601 -28.7841 100.684 -28.7843 -58.1442 GPRESSURE: 3161200 -262.629 68.1051 109.786 61.7101 32.165 -101.256 94.5834 -5.9727 -57.0468 PRESSAVG: 3161200 -47.1622 -59.4817 66.0443 -59.4816 3.00691 -22.4593 66.0444 -22.4594 26.8805 GPRESSAVG: 3161200 -47.1261 -58.5884 65.0472 -60.1033 2.82214 -18.1874 68.4889 -25.8011 26.7778 TIMING: 3161200 CPU: 9177.2, 0.00288447/step Wall: 9177.2, 0.00288447/step, 1.47332 hours remaining, 205.945312 MB of memory in use. ENERGY: 3161200 808.9101 2090.9590 1950.4266 109.4360 -205828.0371 17559.9079 0.0000 0.0000 34253.6823 -149054.7152 299.1459 -183308.3974 -148961.8244 299.8357 -126.8347 -95.8371 557101.6055 -5.7583 -5.8421 PRESSURE: 3161400 22.2391 -118.597 -117.131 -118.597 -85.5529 95.3617 -117.132 95.3601 -135.651 GPRESSURE: 3161400 83.2522 -42.9754 -227.397 -96.4762 -51.1895 76.9541 -63.1756 62.685 -123.908 PRESSAVG: 3161400 -11.9255 -43.9061 33.3326 -43.9061 36.4567 43.9754 33.3326 43.9754 -30.8678 GPRESSAVG: 3161400 -11.9502 -42.5606 33.5613 -43.9063 36.6228 40.5523 31.3235 44.9774 -31.0629 TIMING: 3161400 CPU: 9177.78, 0.00289902/step Wall: 9177.78, 0.00289902/step, 1.48059 hours remaining, 205.945312 MB of memory in use. ENERGY: 3161400 730.7433 2093.1061 1965.8103 93.7253 -205559.5792 17637.8825 0.0000 0.0000 33946.5548 -149091.7569 296.4637 -183038.3117 -148994.5853 299.1192 -66.3217 -30.6151 557406.2890 -2.1122 -2.1301 PRESSURE: 3161600 -190.047 92.8206 100.677 92.8193 -73.8068 -26.253 100.677 -26.2536 -129.42 GPRESSURE: 3161600 -121.18 78.6964 19.0441 150.551 -52.8035 32.6565 61.9567 -70.8533 -126.356 PRESSAVG: 3161600 -1.48207 19.9994 16.1662 19.9993 81.9572 1.36214 16.1663 1.36203 -42.5282 GPRESSAVG: 3161600 -1.18054 20.6044 14.2938 22.5204 82.2266 2.52306 16.7435 1.26763 -43.0805 TIMING: 3161600 CPU: 9178.37, 0.00293516/step Wall: 9178.37, 0.00293516/step, 1.49889 hours remaining, 205.945312 MB of memory in use. ENERGY: 3161600 734.7876 2040.4657 1989.1840 106.3846 -205978.0514 17811.4903 0.0000 0.0000 34296.4785 -148999.2607 299.5197 -183295.7392 -148907.9713 299.3874 -131.0911 -100.1130 558787.2162 12.6490 12.6552 PRESSURE: 3161800 61.5373 -154.552 -75.1582 -154.551 -179.283 35.5166 -75.1584 35.5152 85.3348 GPRESSURE: 3161800 151.295 -130.815 -88.2376 -122.688 -146.83 -12.2232 -106.646 28.8599 46.9675 PRESSAVG: 3161800 -38.127 -16.6298 25.4863 -16.6298 10.008 8.38771 25.4864 8.38778 5.21919 GPRESSAVG: 3161800 -37.8378 -17.6288 28.6961 -18.7624 9.35385 8.87673 23.535 8.53131 5.82428 TIMING: 3161800 CPU: 9178.95, 0.00293241/step Wall: 9178.95, 0.00293241/step, 1.49732 hours remaining, 205.945312 MB of memory in use. ENERGY: 3161800 689.0567 2067.5364 1973.1034 110.7535 -206102.6442 17771.2495 0.0000 0.0000 34319.0029 -149171.9419 299.7164 -183490.9447 -149070.4248 299.6534 -10.8036 17.1441 559919.9060 -7.6333 -7.5532 PRESSURE: 3162000 -159.657 29.6866 -256.588 29.6868 -9.98677 -77.1125 -256.589 -77.1126 142.327 GPRESSURE: 3162000 -115.009 -37.5132 -189.813 23.6051 33.6019 -73.7384 -231.893 -80.5967 142.182 PRESSAVG: 3162000 -15.3752 -27.8751 -85.5781 -27.8751 19.2637 -45.8394 -85.5782 -45.8393 10.1053 GPRESSAVG: 3162000 -16.1932 -27.8625 -86.9539 -28.6241 19.2731 -47.2182 -84.2036 -45.3198 10.6729 TIMING: 3162000 CPU: 9179.54, 0.00291367/step Wall: 9179.54, 0.00291367/step, 1.48759 hours remaining, 205.945312 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: 3162000 727.5817 2070.2299 1961.6327 116.8337 -206483.0147 18123.7304 0.0000 0.0000 34327.1992 -149155.8071 299.7880 -183483.0063 -149063.0451 298.9410 -9.1056 20.2584 560143.7091 4.6646 4.5843 PRESSURE: 3162200 -56.5304 -4.48205 27.8273 -4.48154 -188.051 -118.924 27.825 -118.924 -134.763 GPRESSURE: 3162200 -53.3459 -9.11296 62.4602 29.6676 -108.504 -157.213 29.2887 -10.32 -128.798 PRESSAVG: 3162200 -29.2409 -5.66993 -19.9236 -5.66996 8.93642 -27.4907 -19.9236 -27.4908 -6.56969 GPRESSAVG: 3162200 -28.6546 -5.83223 -19.9479 -6.35138 8.33143 -27.3368 -20.6821 -27.1206 -6.82322 TIMING: 3162200 CPU: 9180.12, 0.00290482/step Wall: 9180.12, 0.00290482/step, 1.48291 hours remaining, 205.945312 MB of memory in use. ENERGY: 3162200 681.0929 2104.3917 1996.6654 106.1802 -206081.8494 17741.6935 0.0000 0.0000 34236.1182 -149215.7075 298.9925 -183451.8257 -149120.3181 299.2761 -126.4484 -96.8826 559439.1073 -8.9581 -9.0488 PRESSURE: 3162400 33.0131 231.639 -155.548 231.641 -16.9302 20.167 -155.549 20.1674 -100.349 GPRESSURE: 3162400 79.6171 217.998 -217.363 187.85 34.6749 52.8727 -94.5834 -7.0014 -107.155 PRESSAVG: 3162400 -41.1716 -25.1217 -28.8092 -25.1217 76.553 -25.5016 -28.8091 -25.5016 -4.76087 GPRESSAVG: 3162400 -41.931 -26.7707 -28.5087 -21.9391 77.9267 -25.5534 -27.1865 -25.2699 -4.96247 TIMING: 3162400 CPU: 9180.7, 0.00290843/step Wall: 9180.7, 0.00290843/step, 1.48459 hours remaining, 205.945312 MB of memory in use. ENERGY: 3162400 720.5772 2107.5024 1938.1975 120.8526 -206039.0371 17825.5822 0.0000 0.0000 33950.7616 -149375.5635 296.5004 -183326.3251 -149275.0603 298.6538 -28.0887 2.3791 558475.6300 10.2068 10.3444 PRESSURE: 3162600 -187.89 -29.3711 48.5615 -29.3709 -159.899 161.506 48.5613 161.508 109.379 GPRESSURE: 3162600 -136.179 -116.692 100.975 -18.9855 -155.812 215.765 -0.0754558 107.518 144.423 PRESSAVG: 3162600 26.2863 -21.284 -2.9745 -21.2839 -28.5613 8.65458 -2.97443 8.65455 -28.5502 GPRESSAVG: 3162600 26.978 -19.8648 -1.88505 -23.705 -29.5525 7.35166 -4.54816 8.03466 -28.1496 TIMING: 3162600 CPU: 9181.28, 0.00290869/step Wall: 9181.28, 0.00290869/step, 1.48456 hours remaining, 205.945312 MB of memory in use. ENERGY: 3162600 739.5919 2077.8326 1982.2921 107.3110 -206242.8038 17780.2539 0.0000 0.0000 34197.8289 -149357.6934 298.6581 -183555.5223 -149264.2991 298.0787 -79.4699 -49.1894 557474.7827 -10.2751 -10.2414 PRESSURE: 3162800 -107.879 -32.1561 -166.224 -32.1558 -113.693 45.2921 -166.224 45.2913 -78.242 GPRESSURE: 3162800 -60.4346 -15.0078 -95.742 5.94163 -78.5494 -92.7184 -209.868 129.234 -56.8471 PRESSAVG: 3162800 37.0998 3.83783 27.9052 3.83773 -86.1711 25.8551 27.9052 25.8552 36.8494 GPRESSAVG: 3162800 36.5331 4.6128 25.4825 2.99859 -85.8109 27.1658 28.9182 25.5419 36.782 TIMING: 3162800 CPU: 9181.86, 0.00287179/step Wall: 9181.86, 0.00287179/step, 1.46557 hours remaining, 205.945312 MB of memory in use. ENERGY: 3162800 780.2481 2065.6355 1957.6726 117.4951 -205999.8580 17673.3464 0.0000 0.0000 34194.7847 -149210.6757 298.6316 -183405.4604 -149122.8297 299.0295 -99.9381 -65.2770 557738.7200 -4.0740 -4.1653 PRESSURE: 3163000 -88.5644 73.9193 -26.3094 73.9192 78.2763 30.4009 -26.3094 30.4005 257.574 GPRESSURE: 3163000 -67.6832 60.8414 -11.4902 56.8433 121.995 -14.425 -15.5745 96.17 288.375 PRESSAVG: 3163000 17.712 8.09682 -12.7763 8.09681 53.0542 -18.3346 -12.7764 -18.3346 4.6468 GPRESSAVG: 3163000 17.0549 9.76547 -8.75586 8.66656 54.0964 -19.1896 -14.8282 -17.1198 4.34749 TIMING: 3163000 CPU: 9182.43, 0.00286356/step Wall: 9182.43, 0.00286356/step, 1.46121 hours remaining, 205.945312 MB of memory in use. ENERGY: 3163000 748.3609 2058.9323 1984.2560 100.9901 -206305.3040 17862.0682 0.0000 0.0000 34311.7530 -149238.9433 299.6531 -183550.6963 -149137.6440 299.0509 82.4286 114.2288 556782.0772 25.1377 25.1663 PRESSURE: 3163200 -41.1202 -166.249 12.0193 -166.247 -3.38226 -29.7366 12.0201 -29.7384 72.5903 GPRESSURE: 3163200 -19.1651 -148.715 -57.945 -145.386 67.1535 -77.6803 67.4879 -58.0041 80.7747 PRESSAVG: 3163200 -47.3808 -4.76092 -34.2049 -4.76093 -1.58843 -10.811 -34.2049 -10.8111 40.2015 GPRESSAVG: 3163200 -45.506 -4.93702 -36.9327 -4.81413 -2.19677 -9.31722 -33.7009 -11.3034 38.8412 TIMING: 3163200 CPU: 9183, 0.00287275/step Wall: 9183, 0.00287275/step, 1.46574 hours remaining, 206.078125 MB of memory in use. ENERGY: 3163200 743.0442 2127.9651 1972.4708 120.9124 -206513.8683 17986.8207 0.0000 0.0000 34158.1061 -149404.5488 298.3112 -183562.6550 -149310.1911 298.7118 9.3626 42.9210 558222.8546 -2.9226 -2.9538 PRESSURE: 3163400 -154.003 114.804 -116.368 114.803 141.044 157.719 -116.368 157.719 13.8946 GPRESSURE: 3163400 -96.7241 178.178 -160.151 53.0535 186.553 228.988 -73.3145 222.698 2.22773 PRESSAVG: 3163400 -97.0321 11.7055 -9.07729 11.7055 39.0066 23.0759 -9.07735 23.0758 10.4841 GPRESSAVG: 3163400 -97.3931 11.8892 -10.3675 10.8661 37.1349 24.4864 -8.72287 20.5128 12.771 TIMING: 3163400 CPU: 9183.58, 0.00286756/step Wall: 9183.58, 0.00286756/step, 1.46293 hours remaining, 206.078125 MB of memory in use. ENERGY: 3163400 775.1396 2050.1195 1965.3607 128.9590 -206367.8686 17941.6043 0.0000 0.0000 34197.6902 -149308.9951 298.6569 -183506.6854 -149216.4595 298.4809 0.3117 30.6855 558321.7025 -15.8472 -15.8291 PRESSURE: 3163600 -59.8881 30.831 55.3894 30.831 -223.38 77.9369 55.3895 77.9366 -32.578 GPRESSURE: 3163600 -65.8337 -11.2404 22.11 108.563 -119.059 167.578 91.4908 48.6478 -40.7611 PRESSAVG: 3163600 1.58891 21.6472 -19.9658 21.6472 -3.0812 71.9883 -19.9659 71.9883 29.38 GPRESSAVG: 3163600 0.379891 20.9692 -18.8066 21.8958 -1.99439 69.5231 -20.1295 72.9178 29.5279 TIMING: 3163600 CPU: 9184.15, 0.00288214/step Wall: 9184.15, 0.00288214/step, 1.47021 hours remaining, 206.078125 MB of memory in use. ENERGY: 3163600 749.1851 2098.6031 1928.5378 120.5697 -206205.9639 17678.4026 0.0000 0.0000 34320.4581 -149310.2074 299.7291 -183630.6656 -149217.3326 298.1379 -105.2821 -75.2180 557817.0221 9.2959 9.3045 PRESSURE: 3163800 -302.601 89.5614 75.8832 89.562 -51.7804 112.94 75.8834 112.941 -132.14 GPRESSURE: 3163800 -283.281 102.253 37.0297 103.646 -43.8663 66.0044 161.26 74.6601 -59.3836 PRESSAVG: 3163800 -12.6882 5.9475 47.9685 5.94757 -44.9087 60.0066 47.9685 60.0065 64.9206 GPRESSAVG: 3163800 -12.9784 6.24915 49.16 6.16184 -45.1648 58.1937 47.9945 63.5147 65.0494 TIMING: 3163800 CPU: 9184.73, 0.00288558/step Wall: 9184.73, 0.00288558/step, 1.47181 hours remaining, 206.078125 MB of memory in use. ENERGY: 3163800 743.9038 2111.4540 1957.7882 116.5680 -206054.5371 17740.6836 0.0000 0.0000 34062.9460 -149321.1934 297.4802 -183384.1394 -149230.3340 298.4051 -162.1738 -128.8435 559129.7831 2.4413 2.3021 PRESSURE: 3164000 -270.271 -124.407 -50.5176 -124.408 -213.224 156.233 -50.5172 156.236 -276.622 GPRESSURE: 3164000 -209.785 -109.037 -37.782 -109.148 -182.084 199.14 -119.394 121.052 -261.478 PRESSAVG: 3164000 -45.0476 39.4011 15.8382 39.4012 48.6774 73.831 15.8382 73.831 -4.66969 GPRESSAVG: 3164000 -43.7295 37.3332 12.8417 39.1332 47.9809 74.2351 16.0513 71.561 -5.49867 TIMING: 3164000 CPU: 9185.31, 0.00289084/step Wall: 9185.31, 0.00289084/step, 1.47433 hours remaining, 206.078125 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: 3164000 754.4224 2039.6147 2006.9653 111.5395 -206231.4277 17674.7789 0.0000 0.0000 34234.0474 -149410.0594 298.9745 -183644.1068 -149310.8047 299.0892 -253.3722 -217.7824 559686.4763 -0.3466 -0.4158 PRESSURE: 3164200 35.9986 -170.893 -198.527 -170.892 11.0658 -169.315 -198.529 -169.314 -142.737 GPRESSURE: 3164200 23.5371 -128.633 -321.191 -185.649 57.4767 -154.315 -130.309 -124.55 -87.3418 PRESSAVG: 3164200 -7.29767 12.6059 -22.2056 12.6059 15.018 -0.268688 -22.2056 -0.268755 -32.8661 GPRESSAVG: 3164200 -8.74978 15.4709 -20.381 12.4088 16.6599 1.90286 -21.6275 -1.50893 -33.1207 TIMING: 3164200 CPU: 9185.88, 0.00287421/step Wall: 9185.88, 0.00287421/step, 1.46569 hours remaining, 206.078125 MB of memory in use. ENERGY: 3164200 732.0173 2129.7359 1983.0583 115.3256 -206477.3977 17937.3700 0.0000 0.0000 34109.0845 -149470.8061 297.8831 -183579.8906 -149383.3675 298.6986 -31.8910 -2.1093 557454.3677 -8.3819 -8.4035 LDB: ============= START OF LOAD BALANCING ============== 9189.35 LDB: ============== END OF LOAD BALANCING =============== 9189.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9189.35 LDB: ============= START OF LOAD BALANCING ============== 9189.64 LDB: Largest compute 4848 load 0.030160 is 25.6% of average load 0.117839 LDB: Average compute 0.001708 is 1.4% of average load 0.117839 LDB: TIME 9189.64 LOAD: AVG 0.117839 MAX 0.178371 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.75 MB LDB: TIME 9189.65 LOAD: AVG 0.117839 MAX 0.178371 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 9189.65 LOAD: AVG 0.117839 MAX 0.178371 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: ============== END OF LOAD BALANCING =============== 9189.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9189.65 PRESSURE: 3164400 -269.339 31.3438 116.956 31.3441 -139.145 -3.88161 116.957 -3.884 -70.8236 GPRESSURE: 3164400 -232.801 62.0695 47.0153 -38.422 -131.317 -16.7563 139.739 -17.1583 -22.5857 PRESSAVG: 3164400 62.0737 -20.2402 2.14265 -20.2402 -12.8188 -16.9124 2.14272 -16.9124 -23.1931 GPRESSAVG: 3164400 61.7757 -20.71 1.35676 -21.2732 -12.9397 -17.7245 0.674082 -15.9864 -22.7725 TIMING: 3164400 CPU: 9186.48, 0.0029648/step Wall: 9186.48, 0.0029648/step, 1.51172 hours remaining, 208.003906 MB of memory in use. ENERGY: 3164400 724.6231 2132.2630 1961.2592 109.4518 -206299.0043 17506.6466 0.0000 0.0000 34382.4638 -149482.2969 300.2706 -183864.7607 -149380.6468 298.8972 -159.7694 -128.9013 558042.5472 8.6872 8.6878 PRESSURE: 3164600 -207.025 -63.8845 -46.9424 -63.8838 308.964 -21.9022 -46.9428 -21.9023 -86.504 GPRESSURE: 3164600 -158.365 -100.598 34.0309 -31.4007 326.958 -85.705 -94.669 21.0058 -55.8957 PRESSAVG: 3164600 -66.8655 18.2822 -6.97836 18.2821 28.2741 4.652 -6.97833 4.65196 34.1435 GPRESSAVG: 3164600 -65.8938 18.3556 -6.44295 18.1254 27.8397 5.20693 -6.73805 4.31822 34.0092 TIMING: 3164600 CPU: 9187.06, 0.00290396/step Wall: 9187.06, 0.00290396/step, 1.48054 hours remaining, 208.003906 MB of memory in use. ENERGY: 3164600 757.4883 2088.7475 1957.7720 122.6691 -206841.7458 18093.3179 0.0000 0.0000 34474.8457 -149346.9053 301.0774 -183821.7510 -149253.3754 298.8597 5.1450 37.5659 558399.3083 -1.4826 -1.3483 PRESSURE: 3164800 -143.612 66.6662 -11.2971 66.6642 12.7716 272.675 -11.298 272.675 -156.678 GPRESSURE: 3164800 -114.864 49.5969 -111.313 72.8119 19.6747 312.818 11.664 271.09 -85.6325 PRESSAVG: 3164800 30.991 72.9313 -28.0786 72.9313 28.285 3.85335 -28.0786 3.85337 -59.5973 GPRESSAVG: 3164800 31.021 72.5109 -29.2539 74.2483 27.1618 4.33876 -26.8674 5.72309 -58.8354 TIMING: 3164800 CPU: 9187.64, 0.00289491/step Wall: 9187.64, 0.00289491/step, 1.47576 hours remaining, 208.003906 MB of memory in use. ENERGY: 3164800 727.5595 2077.6949 1986.8521 116.4409 -206197.8829 17729.5740 0.0000 0.0000 34276.3467 -149283.4149 299.3439 -183559.7615 -149190.6913 298.9593 -95.8395 -60.2738 558761.5726 -0.1071 -0.2175 PRESSURE: 3165000 -57.7028 34.3225 27.8405 34.3234 -205.888 62.0275 27.8393 62.0251 -59.4061 GPRESSURE: 3165000 -22.8955 -24.982 -82.1093 142.159 -151.336 62.1328 48.2639 50.0799 -47.0555 PRESSAVG: 3165000 -37.5319 11.858 69.5149 11.8581 63.8727 55.2105 69.5149 55.2106 -29.7124 GPRESSAVG: 3165000 -38.5107 10.4125 69.8431 13.8243 65.8459 54.9129 69.1773 52.9462 -31.1594 TIMING: 3165000 CPU: 9188.22, 0.00292574/step Wall: 9188.22, 0.00292574/step, 1.49132 hours remaining, 208.003906 MB of memory in use. ENERGY: 3165000 738.0153 2082.1099 1964.9519 111.7808 -206317.0910 17707.1443 0.0000 0.0000 34364.2175 -149348.8714 300.1113 -183713.0890 -149248.5885 298.4784 -107.6656 -73.7622 557585.8730 -1.1239 -1.2747 PRESSURE: 3165200 -71.9036 79.2572 232.254 79.2567 162.551 -152.475 232.254 -152.474 33.5024 GPRESSURE: 3165200 -23.3882 70.6083 323.329 69.7189 147.097 -184.507 203.787 -32.5664 96.7584 PRESSAVG: 3165200 -20.4467 25.3888 -7.69722 25.3887 18.9525 -12.6228 -7.69718 -12.6229 -21.7469 GPRESSAVG: 3165200 -20.7853 26.317 -8.42929 23.2594 18.2229 -12.117 -8.30091 -11.9531 -21.3988 TIMING: 3165200 CPU: 9188.8, 0.00290504/step Wall: 9188.8, 0.00290504/step, 1.4806 hours remaining, 208.003906 MB of memory in use. ENERGY: 3165200 782.0703 2096.6954 1987.6912 116.6959 -206522.5280 18094.9200 0.0000 0.0000 34012.7672 -149431.6880 297.0420 -183444.4553 -149335.5939 297.8651 41.3832 73.4890 558282.6106 -7.7470 -7.9871 PRESSURE: 3165400 -27.6066 37.5992 11.0271 37.5999 -253.706 -128.976 11.0267 -128.974 -442.357 GPRESSURE: 3165400 6.70558 -19.4251 -79.8265 133.699 -193.152 -119.509 9.24365 -88.3444 -433.491 PRESSAVG: 3165400 4.83644 40.747 -3.39859 40.7468 32.9951 -42.6748 -3.39861 -42.6748 -49.5446 GPRESSAVG: 3165400 5.88016 39.8832 -3.9226 40.4345 32.6878 -43.7359 -2.55368 -43.0613 -50.0951 TIMING: 3165400 CPU: 9189.38, 0.00288487/step Wall: 9189.38, 0.00288487/step, 1.47016 hours remaining, 208.003906 MB of memory in use. ENERGY: 3165400 749.7825 2080.5009 1974.2123 98.1493 -206078.5279 17581.5832 0.0000 0.0000 34242.5963 -149351.7035 299.0491 -183594.2997 -149249.0255 298.4746 -241.2231 -206.6456 556753.5481 -3.9044 -3.8424 PRESSURE: 3165600 82.8995 -48.5445 -42.8871 -48.5448 -32.108 -77.7288 -42.8859 -77.7289 -129.897 GPRESSURE: 3165600 131.704 -23.9253 14.6599 -55.9165 5.61357 -75.5707 -102.788 -61.9736 -116.163 PRESSAVG: 3165600 4.21607 53.121 -8.191 53.121 27.7376 -53.7016 -8.19103 -53.7016 -4.64448 GPRESSAVG: 3165600 3.91161 52.5837 -11.0918 53.9889 28.0592 -53.3485 -4.58855 -54.0205 -4.86025 TIMING: 3165600 CPU: 9189.96, 0.0028988/step Wall: 9189.96, 0.0028988/step, 1.4771 hours remaining, 208.003906 MB of memory in use. ENERGY: 3165600 734.8490 2050.8631 1980.8983 110.8981 -205667.0262 17426.8367 0.0000 0.0000 33914.7612 -149447.9197 296.1860 -183362.6810 -149354.5499 297.9650 -26.3685 7.0515 557308.7590 9.1031 9.0369 PRESSURE: 3165800 70.4042 19.472 77.6826 19.471 -63.7903 -49.2799 77.6826 -49.2794 99.2564 GPRESSURE: 3165800 85.5588 14.8305 98.8943 39.9241 11.3899 -103.374 45.0029 -45.802 106.086 PRESSAVG: 3165800 20.2153 -18.1491 38.237 -18.1492 -16.2557 -50.6144 38.2371 -50.6144 8.17625 GPRESSAVG: 3165800 19.418 -19.1661 42.2893 -16.9048 -15.0909 -51.4775 34.3852 -49.7557 7.71519 TIMING: 3165800 CPU: 9190.54, 0.00291872/step Wall: 9190.54, 0.00291872/step, 1.48709 hours remaining, 208.003906 MB of memory in use. ENERGY: 3165800 732.0129 2069.3439 1970.2763 121.6265 -206105.6319 17807.6620 0.0000 0.0000 34072.3239 -149332.3865 297.5621 -183404.7103 -149244.5516 298.8010 35.2901 67.6782 557269.9963 4.0453 4.0141 PRESSURE: 3166000 69.4288 9.09369 106.497 9.09457 63.2541 65.2274 106.497 65.2277 167.215 GPRESSURE: 3166000 44.6011 95.6703 114.251 -40.8198 157.919 3.40508 103.111 126.149 176.94 PRESSAVG: 3166000 -101.14 1.5521 -6.71074 1.55215 8.18745 15.147 -6.71073 15.1469 99.778 GPRESSAVG: 3166000 -100.419 1.83708 -3.62244 0.402083 7.74845 14.4797 -7.64911 14.3665 99.1016 TIMING: 3166000 CPU: 9191.12, 0.00289941/step Wall: 9191.12, 0.00289941/step, 1.47709 hours remaining, 208.003906 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: 3166000 749.4328 2083.4189 1947.1510 125.5068 -206674.9506 18028.9241 0.0000 0.0000 34490.1354 -149250.3816 301.2109 -183740.5169 -149151.6012 299.1488 99.9659 126.4867 556492.4522 2.2750 2.1437 PRESSURE: 3166200 -176.845 29.7399 234.333 29.7421 -143.772 -27.9001 234.332 -27.9017 -122.419 GPRESSURE: 3166200 -142.002 -17.3923 173.489 101.206 -98.5515 -62.4758 189.492 -20.5532 -102.479 PRESSAVG: 3166200 -51.4747 -38.0934 48.1348 -38.0935 38.2007 -15.1769 48.1348 -15.177 -25.3974 GPRESSAVG: 3166200 -51.8971 -38.3303 45.8118 -33.4111 38.5202 -14.8368 47.8052 -15.4794 -24.9952 TIMING: 3166200 CPU: 9191.7, 0.00289006/step Wall: 9191.7, 0.00289006/step, 1.47217 hours remaining, 208.003906 MB of memory in use. ENERGY: 3166200 725.5471 2060.5199 1973.6508 124.3958 -205831.0637 17539.5297 0.0000 0.0000 34157.1633 -149250.2571 298.3030 -183407.4204 -149155.8159 299.5648 -147.6787 -114.3440 558400.1933 -12.8905 -12.7907 PRESSURE: 3166400 -163.574 -83.683 65.837 -83.6831 -140.977 65.0301 65.837 65.0302 -133.419 GPRESSURE: 3166400 -170.058 -41.9429 184.114 -129.316 -66.0842 -3.9469 51.2955 81.3826 -102.231 PRESSAVG: 3166400 -8.67564 -56.4671 55.2701 -56.467 22.4775 8.9828 55.27 8.98279 12.9685 GPRESSAVG: 3166400 -7.99792 -54.6081 55.1785 -59.8421 22.3837 8.86436 58.2272 8.84553 12.0094 TIMING: 3166400 CPU: 9192.28, 0.00287902/step Wall: 9192.28, 0.00287902/step, 1.46638 hours remaining, 208.003906 MB of memory in use. ENERGY: 3166400 762.5232 2084.9750 1969.4368 119.4138 -205700.9132 17477.6199 0.0000 0.0000 34057.8500 -149229.0945 297.4357 -183286.9445 -149131.1432 299.4567 -145.9900 -112.7912 557294.3576 8.9235 8.7984 PRESSURE: 3166600 17.7745 -82.699 -50.7381 -82.6988 -38.7272 320.313 -50.7389 320.313 288.474 GPRESSURE: 3166600 106.256 71.0886 -10.5075 -162.619 -5.92956 383.513 -109.323 212.834 255.004 PRESSAVG: 3166600 -29.709 -81.6213 -1.81508 -81.6215 0.701809 19.1101 -1.81519 19.11 38.511 GPRESSAVG: 3166600 -29.9137 -81.3218 -1.14964 -83.1831 1.10303 20.231 -1.49467 18.5186 38.866 TIMING: 3166600 CPU: 9192.85, 0.00288283/step Wall: 9192.85, 0.00288283/step, 1.46816 hours remaining, 208.003906 MB of memory in use. ENERGY: 3166600 761.7728 2124.4054 1960.6099 103.5126 -206437.4819 18162.3727 0.0000 0.0000 34218.7551 -149106.0534 298.8409 -183324.8085 -149002.6054 299.3553 89.1737 118.4437 557236.7009 3.1679 3.3518 PRESSURE: 3166800 -51.1834 -2.73189 -120.102 -2.73156 -157.895 119.683 -120.103 119.683 -82.5635 GPRESSURE: 3166800 -41.8429 20.6587 -103.213 -1.55442 -150.334 168.909 -113.351 53.6696 -0.450219 PRESSAVG: 3166800 32.272 24.603 19.1741 24.6031 60.1112 29.6086 19.1741 29.6086 -84.5564 GPRESSAVG: 3166800 30.9923 23.501 19.5662 28.0839 59.0896 30.1964 17.5504 29.4331 -82.3153 TIMING: 3166800 CPU: 9193.43, 0.00289355/step Wall: 9193.43, 0.00289355/step, 1.47346 hours remaining, 208.003906 MB of memory in use. ENERGY: 3166800 766.9702 2050.4568 1948.2165 102.7526 -205851.9058 17787.5977 0.0000 0.0000 34233.1270 -148962.7850 298.9664 -183195.9120 -148867.5628 299.4527 -97.2140 -64.2091 557132.3676 2.6089 2.5889 PRESSURE: 3167000 94.8702 -25.5283 -42.081 -25.5296 23.9521 204.586 -42.0785 204.585 269.373 GPRESSURE: 3167000 153.52 -71.4871 -109.293 -27.3188 105.727 204.484 13.858 175.388 223.855 PRESSAVG: 3167000 22.5723 2.43689 -44.351 2.43677 -66.8213 40.8345 -44.351 40.8344 65.8691 GPRESSAVG: 3167000 23.18 4.0416 -44.8516 -2.2786 -67.0377 39.2405 -45.7469 42.2863 65.5526 TIMING: 3167000 CPU: 9194.01, 0.00289969/step Wall: 9194.01, 0.00289969/step, 1.47642 hours remaining, 208.003906 MB of memory in use. ENERGY: 3167000 756.4112 2111.4634 1962.1294 102.5864 -206209.7632 17980.6297 0.0000 0.0000 34269.7122 -149026.8310 299.2859 -183296.5432 -148922.3384 299.5546 129.3986 161.0338 556752.9368 7.2067 7.2316 PRESSURE: 3167200 62.3131 -115.194 -34.0099 -115.195 -150.326 65.721 -34.009 65.7214 48.0781 GPRESSURE: 3167200 74.6488 -159.657 -80.6724 -97.4556 -101.515 84.0021 -102.002 28.9022 78.9712 PRESSAVG: 3167200 -27.8719 -6.20022 -22.0134 -6.20024 1.41513 -21.2472 -22.0134 -21.2472 63.4356 GPRESSAVG: 3167200 -27.4531 -7.58175 -22.7027 -3.55557 2.46182 -19.0056 -20.6378 -21.6029 61.7928 TIMING: 3167200 CPU: 9194.59, 0.00290994/step Wall: 9194.59, 0.00290994/step, 1.48148 hours remaining, 208.003906 MB of memory in use. ENERGY: 3167200 743.8394 2125.2544 1962.1061 110.2541 -205929.8613 17717.2957 0.0000 0.0000 34273.2770 -148997.8346 299.3171 -183271.1116 -148898.5963 299.6535 -13.3117 17.3682 557883.1236 12.3263 12.2672 PRESSURE: 3167400 48.9813 -28.5013 94.394 -28.5024 -149.573 -27.5762 94.3932 -27.5755 -23.8621 GPRESSURE: 3167400 45.4585 -34.0294 78.8019 34.1898 -150.798 -23.0435 179.989 -59.9151 64.2598 PRESSAVG: 3167400 15.3946 13.0633 11.9959 13.0633 -48.1104 -16.4706 11.9959 -16.4706 79.3281 GPRESSAVG: 3167400 15.9251 14.9679 11.3515 12.2446 -48.4838 -18.2397 10.9138 -19.0994 79.1351 TIMING: 3167400 CPU: 9195.17, 0.00289856/step Wall: 9195.17, 0.00289856/step, 1.47553 hours remaining, 208.003906 MB of memory in use. ENERGY: 3167400 749.4626 2085.3338 1988.3767 121.5897 -205908.1871 17755.0169 0.0000 0.0000 34197.3019 -149011.1056 298.6535 -183208.4075 -148917.7169 299.4721 -41.4845 -13.6931 557805.4167 15.5374 15.5255 PRESSURE: 3167600 -172.581 -11.0539 149.165 -11.0534 143.378 -79.4221 149.165 -79.4217 18.0948 GPRESSURE: 3167600 -115.014 -33.9229 218.223 91.3694 180.963 -8.72079 102.78 -83.4208 9.844 PRESSAVG: 3167600 -43.291 15.5082 51.8227 15.5082 14.9806 -42.9116 51.8227 -42.9116 25.5725 GPRESSAVG: 3167600 -43.2544 12.5075 52.4545 17.3453 13.9183 -40.9159 53.6137 -43.2836 26.3845 TIMING: 3167600 CPU: 9195.75, 0.0028792/step Wall: 9195.75, 0.0028792/step, 1.46551 hours remaining, 208.003906 MB of memory in use. ENERGY: 3167600 768.2505 2034.2951 1962.8928 106.6244 -206188.1048 17848.0670 0.0000 0.0000 34412.3662 -149055.6088 300.5318 -183467.9750 -148960.0061 299.7925 -3.7026 25.2645 557799.4930 -0.9126 -0.9839 PRESSURE: 3167800 -117.811 -42.8839 137.022 -42.8858 -127.348 -20.5945 137.022 -20.5947 326.382 GPRESSURE: 3167800 -118.207 -35.9727 181.404 -24.0883 3.39958 38.9174 121.283 -54.2787 304.451 PRESSAVG: 3167800 -10.1143 -20.9629 50.1853 -20.9628 -7.06248 53.5076 50.1853 53.5077 21.2015 GPRESSAVG: 3167800 -11.1016 -19.3198 50.5209 -23.6915 -5.86444 52.3869 49.2801 53.075 20.7363 TIMING: 3167800 CPU: 9196.32, 0.00287554/step Wall: 9196.32, 0.00287554/step, 1.46349 hours remaining, 208.003906 MB of memory in use. ENERGY: 3167800 751.6708 2127.6601 1980.0285 110.1375 -206172.1113 17952.5414 0.0000 0.0000 34235.9959 -149014.0772 298.9915 -183250.0731 -148913.8956 299.6294 27.0743 63.2147 558022.6492 1.3416 1.2567 PRESSURE: 3168000 49.324 -190.26 43.0728 -190.26 -151.306 140.271 43.0726 140.272 10.9237 GPRESSURE: 3168000 52.4206 -262.168 35.7855 -123.453 -94.8058 73.8842 47.5133 177.756 36.4485 PRESSAVG: 3168000 -25.8972 22.1199 18.7251 22.1198 -8.69482 16.4819 18.7251 16.4818 56.4673 GPRESSAVG: 3168000 -25.4982 23.5187 19.3102 23.0633 -8.83654 14.6944 18.5843 18.1834 56.4426 TIMING: 3168000 CPU: 9196.9, 0.00286907/step Wall: 9196.9, 0.00286907/step, 1.46004 hours remaining, 208.003906 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: 3168000 770.0264 2099.5894 1978.0290 120.9139 -206251.4340 17789.6111 0.0000 0.0000 34220.5985 -149272.6658 298.8570 -183493.2643 -149175.5896 299.4586 -30.3529 -1.9789 556484.3116 7.2918 7.3693 PRESSURE: 3168200 -77.2886 199.868 -96.5767 199.868 188.125 -153.092 -96.5766 -153.092 -134.63 GPRESSURE: 3168200 -3.62573 208.999 -71.2955 177.008 191.456 -109.773 -149.373 -158.695 -115.884 PRESSAVG: 3168200 12.385 11.4146 -8.42399 11.4146 13.68 21.62 -8.42404 21.6199 10.2029 GPRESSAVG: 3168200 11.5801 9.20705 -10.1194 11.3863 14.467 23.8567 -7.84224 22.7933 10.7295 TIMING: 3168200 CPU: 9197.47, 0.00287012/step Wall: 9197.47, 0.00287012/step, 1.46041 hours remaining, 208.003906 MB of memory in use. ENERGY: 3168200 708.3631 2124.0318 1970.5596 120.4451 -206023.9426 17595.3431 0.0000 0.0000 34348.3961 -149156.8038 299.9731 -183505.1999 -149064.3840 299.3517 -7.9312 23.9820 555730.5823 12.0893 12.2589 LDB: ============= START OF LOAD BALANCING ============== 9200.93 LDB: ============== END OF LOAD BALANCING =============== 9200.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9200.94 LDB: ============= START OF LOAD BALANCING ============== 9201.23 LDB: Largest compute 4848 load 0.027656 is 23.5% of average load 0.117810 LDB: Average compute 0.001706 is 1.4% of average load 0.117810 LDB: TIME 9201.23 LOAD: AVG 0.11781 MAX 0.176591 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 9201.23 LOAD: AVG 0.11781 MAX 0.176591 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: TIME 9201.23 LOAD: AVG 0.11781 MAX 0.176591 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: ============== END OF LOAD BALANCING =============== 9201.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9201.23 PRESSURE: 3168400 -199.291 106.041 -139.885 106.04 93.3658 -49.0106 -139.884 -49.0097 -38.1711 GPRESSURE: 3168400 -133.268 102.444 -129.37 114.038 156.168 -64.171 -212.96 -136.111 -69.6571 PRESSAVG: 3168400 -7.45994 0.109719 -5.3459 0.109736 -18.1228 32.8608 -5.34594 32.8609 20.1822 GPRESSAVG: 3168400 -7.33753 0.833191 -5.09279 -0.421281 -17.813 32.2775 -5.65343 29.5983 19.8184 TIMING: 3168400 CPU: 9198.06, 0.0029334/step Wall: 9198.06, 0.0029334/step, 1.49245 hours remaining, 205.175781 MB of memory in use. ENERGY: 3168400 717.3078 2071.1306 1987.4785 105.7201 -205965.1781 17502.4681 0.0000 0.0000 34358.5012 -149222.5719 300.0613 -183581.0731 -149117.4500 299.1872 -48.0321 -15.5856 555492.3600 -1.8002 -1.7774 PRESSURE: 3168600 70.8135 -141.622 -7.19207 -141.622 -266.473 -103.35 -7.19104 -103.35 -231.241 GPRESSURE: 3168600 84.9058 -249.093 8.59445 -175.958 -226.038 -121.602 19.4575 -44.9072 -186.474 PRESSAVG: 3168600 49.1066 28.2587 -30.2314 28.2587 65.1007 17.7413 -30.2314 17.7414 -66.6576 GPRESSAVG: 3168600 49.8767 26.8312 -32.0341 30.0111 63.6071 18.8842 -27.4172 20.0716 -65.8339 TIMING: 3168600 CPU: 9198.64, 0.00288365/step Wall: 9198.64, 0.00288365/step, 1.46698 hours remaining, 205.378906 MB of memory in use. ENERGY: 3168600 766.3572 2082.7263 1982.4966 115.9383 -206152.8425 17649.6246 0.0000 0.0000 34154.6507 -149401.0489 298.2811 -183555.6996 -149299.4568 298.7745 -142.3001 -109.2021 557766.9982 15.8499 15.8833 PRESSURE: 3168800 164.325 89.6076 36.2408 89.6074 55.2591 124.191 36.2397 124.192 175.63 GPRESSURE: 3168800 150.943 134.916 -3.3446 71.0156 104.096 79.2917 82.7523 92.4811 236.241 PRESSAVG: 3168800 44.6251 4.48352 8.68571 4.48351 -88.522 40.7025 8.68572 40.7024 42.929 GPRESSAVG: 3168800 44.5336 6.30494 11.679 2.54902 -87.2869 39.3884 5.13429 40.7309 41.5108 TIMING: 3168800 CPU: 9199.21, 0.00287501/step Wall: 9199.21, 0.00287501/step, 1.46242 hours remaining, 205.378906 MB of memory in use. ENERGY: 3168800 769.6041 2088.7905 1947.2095 112.3697 -206771.0743 18185.6051 0.0000 0.0000 34146.6656 -149520.8298 298.2113 -183667.4954 -149431.0584 297.8894 131.7381 163.7600 556499.4815 -0.3226 -0.4142 PRESSURE: 3169000 26.0086 3.31658 101.826 3.31474 35.3881 93.1679 101.825 93.1662 192.647 GPRESSURE: 3169000 67.5381 -26.8528 98.1378 57.7077 87.437 12.338 120.769 88.3456 192.323 PRESSAVG: 3169000 7.8313 20.8147 17.2888 20.8148 59.5868 42.5424 17.2887 42.5424 6.80753 GPRESSAVG: 3169000 7.11684 18.5821 16.7538 23.1935 57.8843 42.8113 17.154 41.7135 8.53827 TIMING: 3169000 CPU: 9199.79, 0.00288621/step Wall: 9199.79, 0.00288621/step, 1.46796 hours remaining, 205.378906 MB of memory in use. ENERGY: 3169000 723.7183 2095.9663 1961.3856 106.7846 -206667.0003 17999.5221 0.0000 0.0000 34258.7448 -149520.8786 299.1901 -183779.6234 -149418.2144 298.4049 84.6813 115.7662 557305.9194 24.7419 24.5131 PRESSURE: 3169200 -13.4542 128.374 85.8771 128.375 -34.8554 37.1431 85.8774 37.1435 -258.282 GPRESSURE: 3169200 31.5047 59.681 72.4737 57.4666 -58.9296 185.425 89.8771 -0.605198 -174.19 PRESSAVG: 3169200 -20.3437 23.3321 15.3785 23.332 1.5536 53.2628 15.3785 53.2627 11.9944 GPRESSAVG: 3169200 -20.7605 24.7135 13.8666 21.121 2.25321 51.1451 18.6123 53.7916 11.2206 TIMING: 3169200 CPU: 9200.36, 0.00287993/step Wall: 9200.36, 0.00287993/step, 1.4646 hours remaining, 205.437500 MB of memory in use. ENERGY: 3169200 734.6910 2038.2291 1940.9420 137.0829 -206475.9458 17670.2422 0.0000 0.0000 34290.4770 -149664.2817 299.4673 -183954.7587 -149562.8388 297.9590 -102.1972 -67.2051 557290.8646 -2.2652 -2.4289 PRESSURE: 3169400 -347.623 8.74007 115.085 8.73899 -13.0355 91.5029 115.084 91.5035 58.9883 GPRESSURE: 3169400 -267.107 8.90672 156.464 53.4309 -0.556317 42.1288 154.636 74.8827 69.228 PRESSAVG: 3169400 -86.0791 -28.3699 27.9839 -28.3699 24.062 -27.7752 27.984 -27.7751 12.56 GPRESSAVG: 3169400 -85.0165 -29.6973 29.3114 -26.5667 24.72 -25.1612 24.7243 -26.9549 11.2082 TIMING: 3169400 CPU: 9200.94, 0.00288249/step Wall: 9200.94, 0.00288249/step, 1.46574 hours remaining, 205.437500 MB of memory in use. ENERGY: 3169400 739.0922 2110.1794 1958.7281 119.3941 -206305.3360 17831.7342 0.0000 0.0000 34107.1992 -149439.0087 297.8667 -183546.2079 -149337.0056 298.3631 -100.5569 -66.1451 557969.9023 -16.4857 -16.3628 PRESSURE: 3169600 -67.2625 144.851 -89.253 144.849 68.1055 -93.5796 -89.2539 -93.5814 -186.417 GPRESSURE: 3169600 -48.021 248.323 -67.9963 49.8034 73.2339 -77.0001 -85.1549 -76.3866 -110.943 PRESSAVG: 3169600 -1.16429 15.4367 -28.7 15.4367 -12.7059 -26.6086 -28.6999 -26.6085 17.367 GPRESSAVG: 3169600 -1.25948 15.6031 -29.7304 16.427 -13.8619 -27.5186 -27.7413 -29.0854 18.5813 TIMING: 3169600 CPU: 9201.52, 0.00290342/step Wall: 9201.52, 0.00290342/step, 1.47623 hours remaining, 205.437500 MB of memory in use. ENERGY: 3169600 786.4577 2066.5976 1951.4478 108.7198 -205979.0312 17656.6636 0.0000 0.0000 33998.9276 -149410.2172 296.9211 -183409.1447 -149315.6584 298.2542 -61.8580 -28.5767 557792.4903 1.1656 1.1533 PRESSURE: 3169800 -146.229 26.3713 -123.346 26.3706 -185.032 -56.827 -123.348 -56.8267 -151.67 GPRESSURE: 3169800 -139.708 4.41397 -110.545 96.6797 -176.881 -66.4312 -126.371 13.4005 -90.3655 PRESSAVG: 3169800 62.801 -20.6115 18.3114 -20.6115 -33.7845 51.5811 18.3114 51.581 -17.6246 GPRESSAVG: 3169800 62.2435 -19.357 18.0777 -20.8141 -33.3494 52.8858 18.8981 53.1375 -17.0927 TIMING: 3169800 CPU: 9202.1, 0.00291587/step Wall: 9202.1, 0.00291587/step, 1.4824 hours remaining, 205.437500 MB of memory in use. ENERGY: 3169800 739.3836 2045.9142 1977.5076 105.0296 -206140.6641 17716.3212 0.0000 0.0000 34243.3625 -149313.1454 299.0558 -183556.5079 -149212.5765 298.2891 -160.9771 -135.6515 559221.8128 3.7973 3.9338 PRESSURE: 3170000 -70.394 -119.17 -109.904 -119.17 72.7217 -109.657 -109.903 -109.656 -121.86 GPRESSURE: 3170000 -16.7734 -116.23 -80.4824 -139.538 103.375 -156.089 -108.167 -174.637 -98.604 PRESSAVG: 3170000 85.0355 22.2534 16.4456 22.2534 -27.8085 -4.61674 16.4455 -4.61673 -29.6988 GPRESSAVG: 3170000 84.8814 21.023 17.1931 19.627 -28.4505 -7.47944 16.2764 -5.19032 -29.39 TIMING: 3170000 CPU: 9202.69, 0.00295229/step Wall: 9202.69, 0.00295229/step, 1.50075 hours remaining, 205.437500 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: 3170000 723.7899 2087.1451 1978.0749 105.7205 -206345.3419 17904.1970 0.0000 0.0000 34270.2828 -149276.1318 299.2909 -183546.4145 -149172.8437 298.8375 -39.8443 -4.0007 557091.1763 9.1761 9.0137 PRESSURE: 3170200 97.2573 54.5716 193.96 54.5717 -181.379 -154.206 193.96 -154.206 -83.6224 GPRESSURE: 3170200 127.799 33.6294 114.858 66.2627 -146.426 -148.538 119.636 -93.5494 -58.3086 PRESSAVG: 3170200 36.9033 6.88834 8.71782 6.88844 -15.21 21.3895 8.71787 21.3897 -2.34392 GPRESSAVG: 3170200 37.6608 8.64615 7.54074 7.7814 -14.4899 23.7534 8.85248 20.9038 -3.83872 TIMING: 3170200 CPU: 9203.27, 0.00289838/step Wall: 9203.27, 0.00289838/step, 1.47318 hours remaining, 205.437500 MB of memory in use. ENERGY: 3170200 722.7996 2124.9058 1982.5039 119.8020 -206424.2994 17960.9750 0.0000 0.0000 34374.4480 -149138.8651 300.2006 -183513.3131 -149048.8959 299.4443 -55.9145 -25.6453 559671.7607 6.4498 6.4440 PRESSURE: 3170400 -4.11229 -21.6545 11.4221 -21.6538 -84.6533 -53.9396 11.4223 -53.9392 -76.4969 GPRESSURE: 3170400 3.46671 -36.6703 31.8922 94.1603 -63.5618 -39.6278 25.4208 -74.3382 -8.43484 PRESSAVG: 3170400 77.0893 8.0877 -10.9312 8.08759 -42.5543 -72.0116 -10.9313 -72.0117 -35.6688 GPRESSAVG: 3170400 77.3134 7.95415 -9.39103 8.58375 -42.8078 -72.2755 -11.2958 -70.4694 -36.2222 TIMING: 3170400 CPU: 9203.85, 0.00289937/step Wall: 9203.85, 0.00289937/step, 1.47353 hours remaining, 205.437500 MB of memory in use. ENERGY: 3170400 738.5428 2074.5141 1992.1326 113.3028 -206175.9740 17765.5754 0.0000 0.0000 34315.1686 -149176.7376 299.6829 -183491.9063 -149086.4136 300.2992 -55.0875 -22.8433 558248.3782 -0.3779 -0.5722 PRESSURE: 3170600 32.0279 -72.3405 6.06024 -72.3402 9.39816 -36.8513 6.06004 -36.8522 -53.7198 GPRESSURE: 3170600 9.03906 -49.1816 -64.4524 -125.362 22.425 -45.9998 -31.6353 13.3464 37.7633 PRESSAVG: 3170600 -17.4667 61.5987 -55.7735 61.5988 -17.6354 -11.106 -55.7736 -11.106 -14.4988 GPRESSAVG: 3170600 -17.316 60.7664 -55.0218 61.1181 -19.2624 -10.7869 -56.836 -11.6222 -13.2491 TIMING: 3170600 CPU: 9204.44, 0.00290862/step Wall: 9204.44, 0.00290862/step, 1.47806 hours remaining, 205.437500 MB of memory in use. ENERGY: 3170600 701.0579 2039.6852 1985.1998 116.0276 -206032.2245 17677.5276 0.0000 0.0000 34173.7920 -149338.9344 298.4482 -183512.7263 -149239.3350 299.0404 -4.0979 23.0758 557220.0268 -16.5336 -16.6092 PRESSURE: 3170800 218.962 151.508 -85.6202 151.509 163.466 20.7343 -85.6199 20.7362 372.43 GPRESSURE: 3170800 194.54 115.715 -89.0491 116.722 205.332 19.6986 -98.4372 12.0975 446.794 PRESSAVG: 3170800 27.0976 -0.801574 -65.3124 -0.801635 -16.6816 4.45141 -65.3124 4.45132 -15.7123 GPRESSAVG: 3170800 24.6591 1.59011 -65.4822 -2.05605 -14.6649 4.0072 -63.3363 5.09487 -14.986 TIMING: 3170800 CPU: 9205.02, 0.00291143/step Wall: 9205.02, 0.00291143/step, 1.47933 hours remaining, 205.437500 MB of memory in use. ENERGY: 3170800 732.9979 2079.6695 1965.5704 104.0805 -206556.8741 18157.2177 0.0000 0.0000 34099.5239 -149417.8142 297.7996 -183517.3381 -149325.5125 298.2797 251.6194 282.2219 556971.7573 -1.7654 -1.6639 PRESSURE: 3171000 -532.453 120.69 62.2875 120.691 -247.902 -18.0184 62.2854 -18.0182 -243.772 GPRESSURE: 3171000 -492.585 90.2139 -20.7792 145.332 -169.935 3.37055 86.9666 -101.127 -246.94 PRESSAVG: 3171000 -28.5815 59.0811 32.478 59.0811 7.12979 -42.6962 32.478 -42.6961 14.3897 GPRESSAVG: 3171000 -26.6796 56.0621 31.3599 62.3164 7.89395 -42.0975 32.5615 -42.8525 11.9262 TIMING: 3171000 CPU: 9205.6, 0.0029283/step Wall: 9205.6, 0.0029283/step, 1.48774 hours remaining, 205.437500 MB of memory in use. ENERGY: 3171000 792.1655 2029.0095 1965.7079 109.1335 -205821.9294 17577.0925 0.0000 0.0000 34170.9359 -149177.8847 298.4233 -183348.8206 -149080.2058 298.6358 -341.3757 -303.1532 559574.6798 -2.3540 -2.2865 PRESSURE: 3171200 -102.781 106.056 14.7064 106.055 -191.765 84.9114 14.7071 84.9094 -55.9744 GPRESSURE: 3171200 -60.5475 202.799 16.4549 3.16006 -131.366 65.5055 13.825 91.271 -68.0304 PRESSAVG: 3171200 -26.7133 -25.8271 3.03709 -25.8271 1.38728 28.5159 3.03716 28.5159 51.1627 GPRESSAVG: 3171200 -26.7361 -23.0601 3.38822 -27.3994 -0.0183257 27.8368 3.31431 26.982 52.2156 TIMING: 3171200 CPU: 9206.19, 0.00293299/step Wall: 9206.19, 0.00293299/step, 1.48996 hours remaining, 205.449219 MB of memory in use. ENERGY: 3171200 749.9177 2120.2701 2005.3565 111.3490 -205908.8678 17589.2219 0.0000 0.0000 34039.7869 -149292.9657 297.2779 -183332.7526 -149198.6919 298.8284 -116.8401 -86.6480 558018.3129 8.6122 8.4871 PRESSURE: 3171400 213.827 28.5933 54.7055 28.5941 131.428 54.2402 54.7059 54.2415 -21.035 GPRESSURE: 3171400 189.732 -27.2126 83.5265 31.8552 153.417 75.02 48.3708 9.21499 67.2859 PRESSAVG: 3171400 -57.117 44.5258 -65.995 44.5259 10.0478 5.79852 -65.9951 5.79848 25.5595 GPRESSAVG: 3171400 -57.2604 42.9184 -66.0891 44.8294 10.2424 5.14065 -65.8911 5.94281 25.2408 TIMING: 3171400 CPU: 9206.77, 0.00290692/step Wall: 9206.77, 0.00290692/step, 1.47656 hours remaining, 205.449219 MB of memory in use. ENERGY: 3171400 734.3338 2129.6271 1969.3237 129.6565 -206506.7064 17970.7691 0.0000 0.0000 34079.1890 -149493.8072 297.6220 -183572.9962 -149391.0927 298.5011 108.0733 136.8114 556856.1236 -7.1699 -7.2591 PRESSURE: 3171600 -169.055 -116.792 -125.686 -116.792 -13.8733 39.8999 -125.686 39.9003 7.78849 GPRESSURE: 3171600 -111.195 -32.8335 -112.613 -232.594 75.2091 -0.936374 -173.412 136.852 -40.5949 PRESSAVG: 3171600 -68.043 55.615 -9.8615 55.615 36.3831 63.1498 -9.86151 63.1497 -14.0935 GPRESSAVG: 3171600 -68.4145 56.944 -8.75888 55.7788 36.5661 60.8711 -11.2367 66.3652 -14.0369 TIMING: 3171600 CPU: 9207.35, 0.00286664/step Wall: 9207.35, 0.00286664/step, 1.45594 hours remaining, 205.449219 MB of memory in use. ENERGY: 3171600 729.3361 2101.5849 1973.7849 116.6382 -206370.1057 17654.4503 0.0000 0.0000 34251.5619 -149542.7495 299.1274 -183794.3114 -149452.7330 298.4818 -58.3798 -25.5269 557550.0834 -15.2512 -15.2951 PRESSURE: 3171800 -48.3368 78.4886 49.1603 78.4894 255.186 86.5386 49.1587 86.538 98.0731 GPRESSURE: 3171800 -29.8421 77.7201 6.5521 57.6917 288.056 76.1157 84.0399 121.073 139.311 PRESSAVG: 3171800 -13.1595 -0.231802 -25.0948 -0.231772 22.72 -0.204723 -25.0948 -0.204747 -5.67662 GPRESSAVG: 3171800 -13.3535 -4.20449 -26.9131 1.51316 23.2037 2.8448 -24.0201 -2.16727 -6.18869 TIMING: 3171800 CPU: 9207.92, 0.00287678/step Wall: 9207.92, 0.00287678/step, 1.46092 hours remaining, 205.449219 MB of memory in use. ENERGY: 3171800 752.1064 2062.3321 1933.7482 113.5386 -206770.3366 18087.3774 0.0000 0.0000 34288.0307 -149533.2031 299.4459 -183821.2339 -149445.7729 298.4604 101.6408 132.5083 555633.0876 1.2946 1.2205 PRESSURE: 3172000 62.9922 -73.2762 61.2416 -73.2747 -98.2627 -125.379 61.2417 -125.377 -194.315 GPRESSURE: 3172000 112.864 -19.8147 59.138 -87.7026 -115.145 -115.956 88.285 -189.31 -136.523 PRESSAVG: 3172000 51.207 12.1365 -8.81921 12.1366 -18.5375 -1.00332 -8.81929 -1.00334 16.1904 GPRESSAVG: 3172000 51.9745 14.9243 -8.02326 9.98835 -19.7003 -3.1108 -9.41582 -1.57021 16.4624 TIMING: 3172000 CPU: 9208.5, 0.00288695/step Wall: 9208.5, 0.00288695/step, 1.46593 hours remaining, 205.449219 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: 3172000 730.6612 2079.5376 1933.8397 114.3672 -206034.6032 17694.0341 0.0000 0.0000 33970.4533 -149511.7101 296.6724 -183482.1634 -149414.6411 298.0851 -76.5285 -46.2677 557283.0236 16.2866 16.2455 PRESSURE: 3172200 -224.873 131.532 6.24118 131.531 54.6841 92.9701 6.24161 92.9696 -147.991 GPRESSURE: 3172200 -165.131 97.6004 10.332 135.85 83.4244 69.6107 -39.7313 71.7588 -145.005 PRESSAVG: 3172200 -56.5806 -11.3833 0.63937 -11.3833 -12.0572 -7.61667 0.639336 -7.6167 71.841 GPRESSAVG: 3172200 -56.6508 -10.7949 0.84529 -11.6779 -11.9682 -5.2356 1.35932 -6.67112 71.7726 TIMING: 3172200 CPU: 9209.08, 0.0028921/step Wall: 9209.08, 0.0028921/step, 1.46838 hours remaining, 205.449219 MB of memory in use. ENERGY: 3172200 702.5645 2063.4464 1956.5011 116.2699 -206289.7262 17566.2693 0.0000 0.0000 34203.2809 -149681.3941 298.7058 -183884.6750 -149577.0667 297.7723 -106.0598 -75.5705 556648.9666 1.0677 1.0512 LDB: ============= START OF LOAD BALANCING ============== 9212.54 LDB: ============== END OF LOAD BALANCING =============== 9212.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9212.54 LDB: ============= START OF LOAD BALANCING ============== 9212.83 LDB: Largest compute 4848 load 0.027106 is 23.0% of average load 0.117784 LDB: Average compute 0.001715 is 1.5% of average load 0.117784 LDB: TIME 9212.83 LOAD: AVG 0.117784 MAX 0.176514 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 9212.83 LOAD: AVG 0.117784 MAX 0.176514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: TIME 9212.83 LOAD: AVG 0.117784 MAX 0.176514 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.637 MB LDB: ============== END OF LOAD BALANCING =============== 9212.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9212.84 PRESSURE: 3172400 213.544 -91.9838 74.6318 -91.9841 -128.193 -45.9173 74.6321 -45.9173 -101.826 GPRESSURE: 3172400 192.672 -153.608 -2.88054 -17.5251 -43.5651 -71.5905 141.843 -39.8254 -63.8892 PRESSAVG: 3172400 49.6709 39.5541 -11.2592 39.5541 -52.3344 15.7325 -11.2592 15.7325 4.84287 GPRESSAVG: 3172400 48.9568 38.9638 -12.5089 41.5123 -51.1714 14.1672 -11.2825 16.253 4.57324 TIMING: 3172400 CPU: 9209.66, 0.0029383/step Wall: 9209.66, 0.0029383/step, 1.49168 hours remaining, 204.808594 MB of memory in use. ENERGY: 3172400 693.9957 2093.0010 1946.6636 123.2825 -206268.7303 17643.2082 0.0000 0.0000 34120.3070 -149648.2722 297.9811 -183768.5792 -149543.7128 298.6216 -5.4917 28.4059 556971.5959 0.7265 0.7862 PRESSURE: 3172600 -177.197 171.32 73.8813 171.32 -140.425 271.242 73.8817 271.242 -226.684 GPRESSURE: 3172600 -141.474 87.1446 -65.8657 195.27 -107.9 159.467 15.5531 224.684 -194.511 PRESSAVG: 3172600 71.6625 17.6063 19.887 17.6064 -87.4387 28.865 19.8869 28.8649 19.4969 GPRESSAVG: 3172600 71.9213 18.0145 20.5948 16.9558 -86.4502 27.2045 18.6166 28.629 18.4652 TIMING: 3172600 CPU: 9210.24, 0.00288584/step Wall: 9210.24, 0.00288584/step, 1.46488 hours remaining, 204.808594 MB of memory in use. ENERGY: 3172600 770.5800 2172.8471 1960.4804 118.9089 -206479.3230 17764.9229 0.0000 0.0000 34086.3788 -149605.2050 297.6848 -183691.5838 -149511.9533 298.6587 -181.4353 -147.9615 557220.2075 1.2402 1.3121 PRESSURE: 3172800 -54.9455 -40.047 -25.0544 -40.0476 183.894 12.6205 -25.0536 12.621 -138.58 GPRESSURE: 3172800 -72.8583 -123.794 -88.5279 5.56657 264.007 24.5109 -28.9861 34.6529 -118.726 PRESSAVG: 3172800 10.8349 17.387 -1.08876 17.387 -17.8026 18.2766 -1.0889 18.2766 -2.13772 GPRESSAVG: 3172800 10.1532 17.3091 -2.11812 15.7497 -18.7668 21.5127 0.861241 15.829 -0.926814 TIMING: 3172800 CPU: 9210.83, 0.00295577/step Wall: 9210.83, 0.00295577/step, 1.50022 hours remaining, 204.808594 MB of memory in use. ENERGY: 3172800 731.1423 2139.4806 1979.5517 117.4306 -206475.5443 17807.3411 0.0000 0.0000 34161.3819 -149539.2161 298.3398 -183700.5981 -149440.5191 298.4928 -3.2105 24.1408 557391.3187 -3.0351 -3.1801 PRESSURE: 3173000 64.2759 18.4614 -100.01 18.4609 -122.257 -56.4674 -100.011 -56.4679 66.503 GPRESSURE: 3173000 69.4516 -17.44 -64.4744 138.9 -92.4287 62.0626 -123.736 -39.2612 119.075 PRESSAVG: 3173000 10.1809 -23.4901 -25.868 -23.4901 -4.18738 30.2611 -25.8681 30.261 28.5618 GPRESSAVG: 3173000 10.4799 -23.4973 -26.5092 -22.8111 -3.40338 29.3317 -27.2442 32.1321 28.1986 TIMING: 3173000 CPU: 9211.42, 0.0029271/step Wall: 9211.42, 0.0029271/step, 1.4855 hours remaining, 204.808594 MB of memory in use. ENERGY: 3173000 731.0995 2101.2594 1982.5077 116.9341 -206341.5300 17742.2667 0.0000 0.0000 34209.4169 -149458.0458 298.7593 -183667.4627 -149370.8976 298.2410 2.8405 32.0326 556608.8946 11.5184 11.7584 PRESSURE: 3173200 -116.666 26.4121 -73.6559 26.4116 259.357 -211.319 -73.6555 -211.318 11.6409 GPRESSURE: 3173200 -50.4269 31.6684 38.3535 58.2222 254.256 -108.022 -86.2965 -280.543 60.7975 PRESSAVG: 3173200 -13.9483 28.8584 -30.9546 28.8584 -10.6377 17.5472 -30.9546 17.5471 25.0506 GPRESSAVG: 3173200 -13.876 27.6971 -29.6992 30.8702 -10.9681 17.8848 -31.0292 16.9733 25.3591 TIMING: 3173200 CPU: 9212, 0.00289398/step Wall: 9212, 0.00289398/step, 1.46853 hours remaining, 204.808594 MB of memory in use. ENERGY: 3173200 774.6398 2141.2866 2000.2584 116.3397 -206641.7479 17936.5467 0.0000 0.0000 34174.4783 -149498.1984 298.4542 -183672.6767 -149412.7937 298.4516 51.4440 88.2088 555962.2817 0.1549 0.1717 PRESSURE: 3173400 -57.1675 200.964 -123.933 200.963 -130.068 53.224 -123.932 53.2257 -174.774 GPRESSURE: 3173400 -4.44115 280.971 -113.316 171.038 -111.251 4.69259 -97.5866 48.9544 -144.338 PRESSAVG: 3173400 7.49025 48.8454 -62.7749 48.8454 -42.6029 13.8214 -62.775 13.8214 12.2557 GPRESSAVG: 3173400 7.09665 50.5856 -62.1119 47.0656 -41.4921 12.2199 -63.9384 14.655 11.6552 TIMING: 3173400 CPU: 9212.58, 0.00291519/step Wall: 9212.58, 0.00291519/step, 1.47913 hours remaining, 204.808594 MB of memory in use. ENERGY: 3173400 743.2420 2095.0301 1961.0482 116.4023 -206099.9139 17738.8394 0.0000 0.0000 34135.2793 -149310.0726 298.1119 -183445.3519 -149220.7885 298.9611 -120.6698 -86.6765 556531.1254 -7.6190 -7.5801 PRESSURE: 3173600 -131.877 21.7334 63.7446 21.7327 -55.6839 81.5935 63.7449 81.5924 -175.782 GPRESSURE: 3173600 -105.565 7.73959 34.0617 -10.2021 -22.8 196.46 60.2438 0.893042 -132.321 PRESSAVG: 3173600 10.3087 7.81147 29.7747 7.81136 34.1913 -16.8795 29.7746 -16.8797 26.5455 GPRESSAVG: 3173600 10.0536 5.90887 28.4037 8.35232 33.0411 -16.7799 32.1538 -18.4958 27.7702 TIMING: 3173600 CPU: 9213.16, 0.00289037/step Wall: 9213.16, 0.00289037/step, 1.46638 hours remaining, 204.808594 MB of memory in use. ENERGY: 3173600 761.0072 2104.9585 1949.3548 111.2771 -205900.9075 17646.6937 0.0000 0.0000 33896.3635 -149431.2528 296.0254 -183327.6163 -149344.1322 298.9147 -121.1142 -86.8955 556186.1299 23.6818 23.6216 PRESSURE: 3173800 -126.525 -150.884 -14.5807 -150.884 -160.48 30.6291 -14.58 30.6288 -263.348 GPRESSURE: 3173800 -126.035 -101.626 -39.9368 -167.93 -58.6053 34.7798 4.33663 -3.35225 -268.975 PRESSAVG: 3173800 35.2902 62.9583 8.91778 62.9583 -51.1309 -17.97 8.9178 -17.9701 43.7023 GPRESSAVG: 3173800 35.4854 62.8213 8.55404 62.5986 -51.2336 -18.3656 8.77713 -16.3024 43.3104 TIMING: 3173800 CPU: 9213.74, 0.00290121/step Wall: 9213.74, 0.00290121/step, 1.47172 hours remaining, 204.808594 MB of memory in use. ENERGY: 3173800 699.9385 2124.2720 1948.5586 117.8719 -205837.8348 17522.7126 0.0000 0.0000 34152.6087 -149271.8725 298.2632 -183424.4812 -149170.9658 298.3760 -183.4510 -151.2052 557905.6836 9.2872 9.1874 PRESSURE: 3174000 14.279 112.267 38.8466 112.268 -66.2964 -31.3183 38.8462 -31.3174 191.293 GPRESSURE: 3174000 37.6717 150.679 -13.6771 74.6232 -85.757 -56.2956 57.0147 20.5582 274.013 PRESSAVG: 3174000 27.1612 51.1552 -40.0901 51.1553 -55.3628 19.985 -40.0902 19.985 18.0554 GPRESSAVG: 3174000 27.3649 51.7975 -38.6883 51.7842 -56.829 20.2342 -40.4023 20.2035 18.9892 TIMING: 3174000 CPU: 9214.32, 0.00290911/step Wall: 9214.32, 0.00290911/step, 1.47557 hours remaining, 204.917969 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: 3174000 738.7082 2152.9703 1950.8146 118.1107 -206273.8932 17691.4270 0.0000 0.0000 34347.1630 -149274.6993 299.9623 -183621.8623 -149181.4669 299.1701 46.4253 75.3091 555934.2659 -3.3821 -3.4917 PRESSURE: 3174200 -140.82 65.1254 -286.729 65.1246 -127.378 30.091 -286.73 30.092 -91.0708 GPRESSURE: 3174200 -122.664 40.4065 -191.772 45.1316 -79.2295 20.2682 -395.656 -52.9301 -55.3729 PRESSAVG: 3174200 18.8539 50.9454 -40.2134 50.9453 65.5387 52.8617 -40.2134 52.8617 -46.1165 GPRESSAVG: 3174200 18.3869 51.4356 -38.8617 50.683 65.4379 53.8394 -41.4616 52.5707 -45.826 TIMING: 3174200 CPU: 9214.89, 0.00287374/step Wall: 9214.89, 0.00287374/step, 1.45747 hours remaining, 204.917969 MB of memory in use. ENERGY: 3174200 737.8219 2084.0414 1971.4980 107.8632 -206264.3706 17722.0484 0.0000 0.0000 34131.5974 -149509.5003 298.0797 -183641.0977 -149415.1407 299.2075 -119.7560 -85.7554 557034.1436 12.7587 12.6663 PRESSURE: 3174400 59.5796 31.4959 -2.49714 31.4958 44.8767 -0.58143 -2.49655 -0.581025 -45.7268 GPRESSURE: 3174400 91.9802 35.6696 -15.8467 -29.5972 150.255 -97.3699 -1.04151 63.7551 -87.3843 PRESSAVG: 3174400 -47.8839 34.3373 -28.0079 34.3372 36.7754 10.6675 -28.0079 10.6676 21.3463 GPRESSAVG: 3174400 -47.0114 33.3398 -29.7223 33.4592 37.3798 10.0844 -28.0451 12.9731 19.9029 TIMING: 3174400 CPU: 9215.47, 0.00289861/step Wall: 9215.47, 0.00289861/step, 1.46992 hours remaining, 204.917969 MB of memory in use. ENERGY: 3174400 742.7277 2061.8731 1935.9752 110.1336 -206679.2391 17963.3071 0.0000 0.0000 34173.4618 -149691.7606 298.4453 -183865.2224 -149597.3310 298.6095 19.5765 51.6171 556959.5627 3.4126 3.4238 PRESSURE: 3174600 -264.957 -2.56244 -87.3036 -2.56298 -245.304 76.1369 -87.3054 76.1368 -247.603 GPRESSURE: 3174600 -246.477 38.6644 -123.82 12.5362 -187.283 182.441 -42.1923 58.2094 -217.203 PRESSAVG: 3174600 -30.6524 17.5178 -45.2958 17.5178 94.8667 31.6561 -45.2959 31.6561 -76.1014 GPRESSAVG: 3174600 -30.1159 19.7836 -46.0175 18.6114 95.3685 32.5581 -41.8758 30.1917 -76.8654 TIMING: 3174600 CPU: 9216.05, 0.00286994/step Wall: 9216.05, 0.00286994/step, 1.45522 hours remaining, 204.917969 MB of memory in use. ENERGY: 3174600 750.0828 2145.8856 1951.7580 108.2235 -206262.7256 17677.0938 0.0000 0.0000 34139.3524 -149490.3294 298.1475 -183629.6819 -149395.6844 297.7539 -252.6213 -216.9877 558592.9274 -3.9624 -3.8709 PRESSURE: 3174800 -338.456 25.0867 105.599 25.0872 62.0523 2.80324 105.599 2.80522 -174.845 GPRESSURE: 3174800 -297.275 1.93842 136.166 4.14871 60.5631 -34.1591 108.194 -15.753 -113.983 PRESSAVG: 3174800 27.8019 -51.1825 -24.7052 -51.1825 43.3636 16.6638 -24.7053 16.6637 -56.0087 GPRESSAVG: 3174800 25.2064 -55.0485 -24.0576 -49.4925 44.9043 15.8902 -25.5059 15.8946 -54.2126 TIMING: 3174800 CPU: 9216.63, 0.00288795/step Wall: 9216.63, 0.00288795/step, 1.46419 hours remaining, 204.917969 MB of memory in use. ENERGY: 3174800 782.5422 2116.0020 1909.6045 110.3841 -206374.1008 17742.5264 0.0000 0.0000 34167.1333 -149545.9083 298.3901 -183713.0416 -149449.1901 298.1501 -150.4162 -116.8982 556739.3998 5.0523 5.2994 PRESSURE: 3175000 -111.905 242.998 -12.2054 242.997 259.643 147.867 -12.2063 147.867 -177.455 GPRESSURE: 3175000 -91.92 178.222 -21.931 285.3 255.325 43.3941 47.0065 189.9 -89.5097 PRESSAVG: 3175000 23.9947 38.4052 6.10313 38.4053 42.5692 -7.11389 6.1031 -7.11396 -33.266 GPRESSAVG: 3175000 23.5925 41.0476 6.53882 36.0201 42.613 -6.35513 3.09364 -7.79727 -33.1824 TIMING: 3175000 CPU: 9217.2, 0.00287792/step Wall: 9217.2, 0.00287792/step, 1.45894 hours remaining, 204.917969 MB of memory in use. ENERGY: 3175000 734.1433 2124.7410 1987.7762 126.7065 -206343.0856 17826.4124 0.0000 0.0000 33971.7350 -149571.5712 296.6836 -183543.3062 -149468.3932 298.7137 -9.9057 24.6319 556724.6641 11.0993 11.0077 PRESSURE: 3175200 174.743 -94.3827 -59.4017 -94.3811 12.198 74.1232 -59.4024 74.1231 -41.508 GPRESSURE: 3175200 194.088 -64.7482 -102.185 -108.53 32.6408 65.8416 -41.0591 75.6943 5.52882 PRESSAVG: 3175200 43.514 1.02245 -1.92517 1.02244 23.3234 23.9762 -1.9252 23.9762 -55.9533 GPRESSAVG: 3175200 44.8534 0.297303 -2.78619 3.17843 21.506 23.6181 0.150519 24.447 -55.8578 TIMING: 3175200 CPU: 9217.78, 0.00287308/step Wall: 9217.78, 0.00287308/step, 1.45633 hours remaining, 204.917969 MB of memory in use. ENERGY: 3175200 764.2634 2113.1349 1940.6926 106.6586 -206287.9630 18050.6018 0.0000 0.0000 34015.3163 -149297.2955 297.0642 -183312.6118 -149209.5391 298.7984 48.4776 77.4193 557264.6364 3.6280 3.5005 PRESSURE: 3175400 119.383 -107.923 -196.385 -107.923 217.501 53.6931 -196.384 53.6919 -13.2541 GPRESSURE: 3175400 131.671 -122.126 -245.84 -172.868 247.236 19.1812 -103.379 22.876 39.5456 PRESSAVG: 3175400 19.3436 -11.6964 -31.0017 -11.6965 -26.2979 6.01138 -31.0017 6.01138 -9.45684 GPRESSAVG: 3175400 17.6422 -12.2959 -29.9242 -15.0675 -24.0125 5.01264 -32.341 7.82168 -10.1458 TIMING: 3175400 CPU: 9218.35, 0.00286988/step Wall: 9218.35, 0.00286988/step, 1.45455 hours remaining, 204.917969 MB of memory in use. ENERGY: 3175400 695.7435 2131.2515 1953.3110 106.9964 -206249.7284 17859.2655 0.0000 0.0000 34136.2580 -149366.9026 298.1204 -183503.1606 -149271.9079 299.4026 107.8767 139.4840 555809.1846 -5.4704 -5.5054 PRESSURE: 3175600 225.298 116.289 -249.375 116.288 19.1949 54.5522 -249.375 54.5539 59.3781 GPRESSURE: 3175600 241.528 83.1202 -225.042 171.61 110.413 172.843 -259.228 -9.06173 47.1902 PRESSAVG: 3175600 8.36077 -31.6104 -8.31364 -31.6104 105.142 61.1685 -8.31364 61.1685 -73.0952 GPRESSAVG: 3175600 10.4383 -32.4457 -11.2203 -29.4979 103.645 61.0765 -6.25266 61.1888 -73.0206 TIMING: 3175600 CPU: 9218.93, 0.00288159/step Wall: 9218.93, 0.00288159/step, 1.46033 hours remaining, 204.917969 MB of memory in use. ENERGY: 3175600 784.5784 2118.2905 1943.1513 108.0915 -206339.8768 17997.2311 0.0000 0.0000 34110.2151 -149278.3188 297.8930 -183388.5339 -149177.2588 299.1513 101.2903 133.0438 557291.5704 13.4694 13.6875 PRESSURE: 3175800 -271.39 -93.3097 -18.774 -93.3092 -258.38 -91.3655 -18.7726 -91.3641 295.27 GPRESSURE: 3175800 -157.765 -93.8729 -56.9139 -110.205 -248.492 -129.281 48.9266 -12.295 267.692 PRESSAVG: 3175800 24.7575 4.01814 -51.9185 4.01805 -41.0545 18.6445 -51.9183 18.6445 39.1457 GPRESSAVG: 3175800 24.5454 4.08595 -49.8795 4.95525 -40.1666 17.3388 -54.9781 18.5299 38.4658 TIMING: 3175800 CPU: 9219.5, 0.00287853/step Wall: 9219.5, 0.00287853/step, 1.45861 hours remaining, 204.917969 MB of memory in use. ENERGY: 3175800 783.9449 2106.7570 1968.9249 110.2360 -206214.8634 17753.8302 0.0000 0.0000 34488.8968 -149002.2735 301.2001 -183491.1703 -148902.7322 299.6711 -78.1665 -46.1882 557929.2331 7.6162 7.6149 PRESSURE: 3176000 88.0624 22.9043 -65.5645 22.9038 -129.65 161.881 -65.5641 161.881 155.482 GPRESSURE: 3176000 152.605 -103.945 -16.45 -52.4163 -94.4615 163.524 -93.6545 198.914 150.448 PRESSAVG: 3176000 33.0071 -16.7618 -21.3861 -16.7618 15.1849 -45.1798 -21.3862 -45.1798 -14.8917 GPRESSAVG: 3176000 32.8765 -15.2072 -21.9772 -20.3928 14.6454 -45.8041 -18.3929 -45.3535 -13.8163 TIMING: 3176000 CPU: 9220.08, 0.00288062/step Wall: 9220.08, 0.00288062/step, 1.45951 hours remaining, 204.917969 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: 3176000 721.3742 2161.2680 1982.5092 108.1757 -206187.6368 17866.3909 0.0000 0.0000 34371.1457 -148976.7731 300.1718 -183347.9188 -148879.0698 299.2753 37.9648 69.5305 559050.0412 11.1001 11.2352 PRESSURE: 3176200 -138.691 -59.7712 14.7464 -59.7695 -30.0172 -1.31162 14.7453 -1.31272 -172.475 GPRESSURE: 3176200 -133.21 -70.524 -27.5547 -148.343 0.474125 65.2657 11.9869 -15.1451 -115.818 PRESSAVG: 3176200 45.2491 -39.5771 18.0393 -39.577 -13.0911 46.8462 18.0392 46.8463 23.9809 GPRESSAVG: 3176200 45.243 -42.9215 20.8565 -35.1524 -12.1998 49.482 14.9148 46.4685 23.2497 TIMING: 3176200 CPU: 9220.66, 0.00288801/step Wall: 9220.66, 0.00288801/step, 1.4631 hours remaining, 204.917969 MB of memory in use. ENERGY: 3176200 766.8925 2092.8602 1975.6449 103.9389 -206332.5002 17757.6424 0.0000 0.0000 34487.3594 -149148.1618 301.1867 -183635.5213 -149041.8930 299.6353 -113.7277 -82.8512 558609.8866 18.7130 18.7643 LDB: ============= START OF LOAD BALANCING ============== 9224.12 LDB: ============== END OF LOAD BALANCING =============== 9224.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9224.12 LDB: ============= START OF LOAD BALANCING ============== 9224.41 LDB: Largest compute 4848 load 0.028733 is 24.4% of average load 0.117840 LDB: Average compute 0.001718 is 1.5% of average load 0.117840 LDB: TIME 9224.41 LOAD: AVG 0.11784 MAX 0.180722 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 9224.41 LOAD: AVG 0.11784 MAX 0.180722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: TIME 9224.41 LOAD: AVG 0.11784 MAX 0.180722 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9224.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9224.42 PRESSURE: 3176400 -132.559 -218.79 54.6325 -218.789 -133.294 -193.474 54.6327 -193.473 -69.0374 GPRESSURE: 3176400 -154.234 -264.24 92.3925 -208.088 -124.786 -200.724 -4.89372 -253.011 36.126 PRESSAVG: 3176400 -70.2469 -5.65801 -11.4138 -5.65801 17.6509 -28.3199 -11.4138 -28.3198 53.5368 GPRESSAVG: 3176400 -70.4372 -2.37529 -14.1702 -6.31272 17.3393 -29.4023 -9.65371 -28.2956 54.3424 TIMING: 3176400 CPU: 9221.25, 0.00295004/step Wall: 9221.25, 0.00295004/step, 1.49436 hours remaining, 206.585938 MB of memory in use. ENERGY: 3176400 742.1968 2152.6595 2005.8250 109.6190 -205981.4663 17575.6896 0.0000 0.0000 34335.9395 -149059.5369 299.8643 -183395.4764 -148971.6366 299.0972 -111.6301 -80.9645 557147.6136 0.3136 0.4149 PRESSURE: 3176600 106.548 6.534 -173.494 6.53421 47.6465 -111.093 -173.493 -111.093 -4.59975 GPRESSURE: 3176600 175.179 51.8694 -157.922 -32.3488 73.5535 -85.9368 -180.114 -96.2266 8.37058 PRESSAVG: 3176600 -73.9807 14.2479 -24.176 14.2479 87.1905 -30.4107 -24.1761 -30.4107 -22.5028 GPRESSAVG: 3176600 -72.9716 12.6242 -22.9074 13.9405 86.3588 -29.1044 -25.5968 -29.3216 -22.4194 TIMING: 3176600 CPU: 9221.82, 0.00287498/step Wall: 9221.82, 0.00287498/step, 1.45618 hours remaining, 207.046875 MB of memory in use. ENERGY: 3176600 724.5782 2084.9151 1965.3456 119.1331 -205978.0209 17638.1384 0.0000 0.0000 34291.7884 -149154.1222 299.4787 -183445.9106 -149061.6612 299.0535 49.8649 85.7010 556119.5217 -3.0977 -3.0107 PRESSURE: 3176800 -98.9384 73.4978 168.105 73.4983 -105.759 -76.6154 168.104 -76.6164 -65.5957 GPRESSURE: 3176800 -85.7166 175.107 140.105 -0.546613 -19.2387 -81.5597 174.22 -143.207 -59.3181 PRESSAVG: 3176800 -3.37139 -4.44877 -37.8182 -4.44869 -27.2328 -39.3852 -37.8181 -39.3852 20.6256 GPRESSAVG: 3176800 -5.24785 -1.224 -38.5368 -6.18021 -24.7213 -38.512 -37.343 -39.1432 20.0561 TIMING: 3176800 CPU: 9222.4, 0.00290168/step Wall: 9222.4, 0.00290168/step, 1.46954 hours remaining, 207.046875 MB of memory in use. ENERGY: 3176800 723.1502 2074.5572 1970.2134 104.1766 -205791.2777 17533.3904 0.0000 0.0000 34278.6447 -149107.1453 299.3639 -183385.7899 -149010.1873 299.2388 -90.0978 -54.7578 557500.0106 -3.3262 -3.3044 PRESSURE: 3177000 330.778 73.3516 -94.5508 73.3529 -221.292 -63.1589 -94.5503 -63.1589 -154.221 GPRESSURE: 3177000 350.015 32.8458 -108.676 100.693 -222.786 -124.563 -12.9723 10.9371 -84.4468 PRESSAVG: 3177000 41.1108 -27.2423 47.8414 -27.2422 -64.0271 12.2008 47.8415 12.2008 -43.2651 GPRESSAVG: 3177000 42.1883 -28.5214 50.481 -27.4679 -65.4158 11.2979 47.0094 11.4488 -41.9883 TIMING: 3177000 CPU: 9222.98, 0.00288765/step Wall: 9222.98, 0.00288765/step, 1.46227 hours remaining, 207.046875 MB of memory in use. ENERGY: 3177000 749.9918 2058.1072 1969.0893 110.4478 -206164.1297 17959.5782 0.0000 0.0000 34149.0645 -149167.8508 298.2323 -183316.9153 -149069.5475 299.0556 -14.9117 14.2604 557532.1546 -22.0605 -21.7386 PRESSURE: 3177200 31.9621 43.8574 13.9894 43.8572 37.6844 16.2322 13.9887 16.2311 -114.37 GPRESSURE: 3177200 110.473 29.9708 0.544297 40.768 67.0139 93.893 -30.2364 -16.3872 -125.688 PRESSAVG: 3177200 52.8866 12.0144 20.4602 12.0144 -43.7958 -44.7937 20.4602 -44.7937 13.7803 GPRESSAVG: 3177200 52.3341 10.641 17.2646 12.2264 -41.8039 -42.3168 23.3558 -44.0405 12.7114 TIMING: 3177200 CPU: 9223.56, 0.00289146/step Wall: 9223.56, 0.00289146/step, 1.46404 hours remaining, 207.046875 MB of memory in use. ENERGY: 3177200 717.0046 2114.9493 1940.5605 108.8855 -205962.6711 17722.2057 0.0000 0.0000 34197.4897 -149161.5758 298.6552 -183359.0655 -149068.1107 299.3529 -14.9077 17.2664 556584.0957 7.6237 7.7472 PRESSURE: 3177400 139.627 -99.4401 127.227 -99.4408 -82.6607 -117.11 127.228 -117.111 130.224 GPRESSURE: 3177400 161.076 -67.7737 137.445 -134.322 -26.316 -185.058 226.184 -189.713 143.153 PRESSAVG: 3177400 19.2212 -56.5317 23.1839 -56.5317 -56.0116 -7.7881 23.1839 -7.78818 48.8534 GPRESSAVG: 3177400 20.7213 -56.4373 25.9224 -55.1448 -57.4141 -9.2828 20.2618 -10.3459 48.6927 TIMING: 3177400 CPU: 9224.13, 0.00288943/step Wall: 9224.13, 0.00288943/step, 1.46286 hours remaining, 207.117188 MB of memory in use. ENERGY: 3177400 720.8041 2064.2132 1971.8091 118.4827 -206100.2411 17691.2531 0.0000 0.0000 34326.8361 -149206.8429 299.7848 -183533.6790 -149115.1852 298.8955 62.3966 92.6377 555358.3495 4.0210 4.0000 PRESSURE: 3177600 238.235 -12.405 41.5832 -12.4065 202.05 131.931 41.5828 131.93 5.2177 GPRESSURE: 3177600 244.335 -33.7769 79.6591 -9.28792 214.801 73.3057 -6.81697 114.357 93.7631 PRESSAVG: 3177600 -5.65686 -10.7591 32.1537 -10.7592 -22.0708 -20.7325 32.1538 -20.7326 7.1514 GPRESSAVG: 3177600 -7.16547 -10.7139 30.2756 -11.3018 -21.142 -21.417 33.7119 -19.0059 7.89968 TIMING: 3177600 CPU: 9224.71, 0.00288853/step Wall: 9224.71, 0.00288854/step, 1.46224 hours remaining, 207.117188 MB of memory in use. ENERGY: 3177600 732.3968 2052.1593 1948.5230 107.4355 -206561.1176 18013.8586 0.0000 0.0000 34485.1360 -149221.6083 301.1673 -183706.7443 -149125.4096 300.1119 148.5007 184.2998 555500.4197 -6.8587 -6.8026 PRESSURE: 3177800 -155.362 -104.478 -105.41 -104.477 -129.438 -36.2872 -105.409 -36.285 -75.0578 GPRESSURE: 3177800 -81.2326 -126.983 -132.054 -127.964 -126.774 8.39626 -8.26978 -124.425 -53.4281 PRESSAVG: 3177800 -13.4353 4.53634 1.34871 4.53636 46.33 13.3681 1.34876 13.3682 -37.199 GPRESSAVG: 3177800 -13.6309 3.78101 2.53032 3.64875 45.7094 13.4757 3.10209 13.9075 -36.3867 TIMING: 3177800 CPU: 9225.29, 0.00288254/step Wall: 9225.29, 0.00288254/step, 1.45905 hours remaining, 207.117188 MB of memory in use. ENERGY: 3177800 768.8291 2067.5195 1939.6938 105.4675 -206331.2282 17787.8841 0.0000 0.0000 34262.9971 -149398.8371 299.2273 -183661.8342 -149294.7238 299.3496 -119.9525 -87.1451 556868.7612 -1.4347 -1.4361 PRESSURE: 3178000 321.421 -153.941 -25.7705 -153.942 73.2076 73.5676 -25.7701 73.5681 138.953 GPRESSURE: 3178000 377.836 -186.961 27.4962 -149.845 100.133 84.133 -55.5787 109.137 151.917 PRESSAVG: 3178000 -13.0589 -12.3673 -59.707 -12.3673 4.42311 -28.7002 -59.7069 -28.7002 -11.7397 GPRESSAVG: 3178000 -12.2625 -11.4541 -60.3491 -13.3483 4.24113 -26.6812 -60.9127 -32.7248 -12.2843 TIMING: 3178000 CPU: 9225.87, 0.00288859/step Wall: 9225.87, 0.00288859/step, 1.46195 hours remaining, 207.117188 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: 3178000 717.4473 2096.4210 1949.7541 103.4748 -206461.5651 18056.7716 0.0000 0.0000 34154.6995 -149382.9968 298.2815 -183537.6963 -149284.6611 298.5926 177.8605 209.9620 556618.2868 -6.7918 -6.7686 PRESSURE: 3178200 -9.99235 -53.6312 -40.5615 -53.6291 81.4627 -101.254 -40.5624 -101.256 -128.2 GPRESSURE: 3178200 8.14181 -1.06078 -41.4836 -99.4825 105.807 -98.4217 -38.9562 -77.8217 -80.0999 PRESSAVG: 3178200 -36.965 2.90956 26.4952 2.90951 63.7778 -29.8441 26.4951 -29.8441 -7.87574 GPRESSAVG: 3178200 -37.9672 2.1728 28.0311 3.97604 63.1856 -32.7202 26.8265 -26.3359 -6.96702 TIMING: 3178200 CPU: 9226.45, 0.00289943/step Wall: 9226.45, 0.00289943/step, 1.46727 hours remaining, 207.117188 MB of memory in use. ENERGY: 3178200 721.3041 2120.4094 1959.1553 116.0203 -206316.2281 17778.7621 0.0000 0.0000 34308.6697 -149311.9072 299.6261 -183620.5769 -149213.2527 298.5480 -18.9099 11.2828 556481.2794 6.3123 6.0838 PRESSURE: 3178400 -218.409 180.678 -23.8574 180.678 -233.386 -139.412 -23.8573 -139.413 -278.944 GPRESSURE: 3178400 -229.674 204.085 -58.5225 173.958 -197.027 -133.573 41.7533 -239.359 -207 PRESSAVG: 3178400 -8.12066 18.2236 7.16692 18.2237 62.1645 27.8099 7.1669 27.81 -50.1121 GPRESSAVG: 3178400 -7.58325 18.1871 4.59832 19.6148 62.3514 29.4017 5.94942 27.3675 -50.5375 TIMING: 3178400 CPU: 9227.02, 0.0028818/step Wall: 9227.02, 0.0028818/step, 1.45819 hours remaining, 207.117188 MB of memory in use. ENERGY: 3178400 730.1912 2134.2002 1971.4647 119.8010 -206050.2165 17679.7800 0.0000 0.0000 34071.7603 -149343.0191 297.5572 -183414.7793 -149246.2284 298.8632 -243.5795 -211.2339 559174.8276 1.3106 1.4102 PRESSURE: 3178600 -149.857 -102.989 263.624 -102.987 -180.364 -111.908 263.624 -111.908 -33.5379 GPRESSURE: 3178600 -146.845 -63.2878 238.538 -27.8956 -79.7979 -167.957 286.009 -88.2414 -50.2317 PRESSAVG: 3178600 20.9951 -18.3714 55.2085 -18.3714 -54.0756 -50.9412 55.2085 -50.9412 47.9496 GPRESSAVG: 3178600 20.5101 -17.9924 57.9933 -19.7635 -53.8612 -52.0604 55.544 -49.7983 48.8344 TIMING: 3178600 CPU: 9227.6, 0.0028682/step Wall: 9227.6, 0.0028682/step, 1.45115 hours remaining, 207.117188 MB of memory in use. ENERGY: 3178600 766.6627 2164.8779 1956.9883 104.1190 -206488.1975 17923.2418 0.0000 0.0000 34421.0791 -149151.2286 300.6078 -183572.3077 -149059.2027 298.8166 -121.2531 -92.2917 559355.7333 4.9564 5.1611 PRESSURE: 3178800 76.9756 50.9708 75.5321 50.9704 225.07 -12.393 75.5322 -12.3936 -109.065 GPRESSURE: 3178800 110.711 101.183 -12.0858 30.8647 220.23 7.52221 113.71 0.979409 -44.9754 PRESSAVG: 3178800 97.3877 -46.0753 42.1204 -46.0754 -48.7416 -27.9406 42.1204 -27.9405 -63.3473 GPRESSAVG: 3178800 97.8138 -44.8403 40.7943 -46.5735 -48.6818 -28.8046 42.429 -29.4458 -63.9136 TIMING: 3178800 CPU: 9228.17, 0.00286272/step Wall: 9228.17, 0.00286272/step, 1.44822 hours remaining, 207.117188 MB of memory in use. ENERGY: 3178800 762.1216 2119.0175 1948.1160 102.7709 -206464.1747 18068.0131 0.0000 0.0000 34146.5280 -149317.6076 298.2101 -183464.1356 -149218.2508 299.0604 64.3269 95.3218 559238.5376 -4.9004 -4.9272 PRESSURE: 3179000 -59.1366 114.821 107.71 114.82 -1.16461 -40.6702 107.709 -40.6714 171.416 GPRESSURE: 3179000 14.0032 108.068 151.004 141.923 39.1437 -41.7353 14.6033 -120.215 153.296 PRESSAVG: 3179000 9.20037 27.3227 52.7623 27.3227 11.9461 9.52579 52.7623 9.52578 -42.6213 GPRESSAVG: 3179000 9.73936 24.1148 54.4662 29.694 12.0339 11.9266 53.0493 9.2973 -43.727 TIMING: 3179000 CPU: 9228.75, 0.00288571/step Wall: 9228.75, 0.00288571/step, 1.45969 hours remaining, 207.117188 MB of memory in use. ENERGY: 3179000 720.0905 2080.8858 1964.1307 115.1312 -206286.7468 17971.8260 0.0000 0.0000 34210.7028 -149223.9798 298.7706 -183434.6826 -149129.0618 298.7815 37.0383 68.8145 558602.9365 -7.1582 -7.3179 PRESSURE: 3179200 -363.047 -57.4713 51.0594 -57.4712 -300.349 -44.1798 51.0603 -44.1812 -155.087 GPRESSURE: 3179200 -279.694 -120.455 55.6458 -61.3912 -291.571 -16.3198 87.946 -65.0493 -153.067 PRESSAVG: 3179200 -67.8247 -23.2248 28.2198 -23.2248 -4.98458 -10.6332 28.2199 -10.6332 71.1673 GPRESSAVG: 3179200 -68.6003 -24.2847 24.7399 -22.7749 -5.17472 -12.6134 29.9838 -10.61 72.446 TIMING: 3179200 CPU: 9229.32, 0.00285822/step Wall: 9229.32, 0.00285822/step, 1.44562 hours remaining, 207.117188 MB of memory in use. ENERGY: 3179200 783.6827 2084.5297 1975.5804 120.6107 -206003.9165 17593.7576 0.0000 0.0000 34233.0348 -149212.7206 298.9656 -183445.7554 -149116.0676 298.8893 -272.8276 -241.4439 559312.4860 -0.5473 -0.4430 PRESSURE: 3179400 243.411 -182.176 -64.7999 -182.175 19.6133 -24.4709 -64.7999 -24.4705 -235.98 GPRESSURE: 3179400 225.615 -123.008 -54.2562 -248.035 61.2921 -120.213 -56.7573 73.421 -155.543 PRESSAVG: 3179400 21.1543 -36.9185 36.1363 -36.9185 -43.6782 -37.2941 36.1364 -37.2941 12.3761 GPRESSAVG: 3179400 20.1772 -34.555 40.4169 -38.1697 -42.6371 -35.9278 34.574 -36.4619 11.9766 TIMING: 3179400 CPU: 9229.89, 0.00286109/step Wall: 9229.89, 0.00286109/step, 1.44691 hours remaining, 207.117188 MB of memory in use. ENERGY: 3179400 771.1121 2093.3439 1980.3710 109.9333 -205971.5753 17772.2670 0.0000 0.0000 34290.7603 -148953.7876 299.4697 -183244.5480 -148855.4220 299.6122 9.0147 43.7881 558772.5693 -3.3826 -3.4945 PRESSURE: 3179600 -296.007 -82.1295 -69.1363 -82.1293 -140.877 -59.9887 -69.1352 -59.9873 25.5136 GPRESSURE: 3179600 -214.771 -94.5329 -87.7074 -54.8282 -84.6384 -80.8662 -23.746 43.0981 -3.1445 PRESSAVG: 3179600 -24.2808 34.8239 18.4119 34.8238 -76.716 36.4064 18.4119 36.4061 86.094 GPRESSAVG: 3179600 -23.2134 35.3892 16.9402 34.5644 -77.2731 35.2141 18.8394 37.7576 85.6436 TIMING: 3179600 CPU: 9230.47, 0.00287712/step Wall: 9230.47, 0.00287712/step, 1.45486 hours remaining, 207.187500 MB of memory in use. ENERGY: 3179600 764.5973 2116.7226 1975.2744 119.3099 -205917.8600 17642.4474 0.0000 0.0000 34281.3967 -149018.1117 299.3880 -183299.5084 -148919.9278 299.5576 -137.1236 -100.8515 558420.2166 -4.9676 -4.9476 PRESSURE: 3179800 -102.719 182.505 -142.909 182.504 -290.904 149.798 -142.909 149.795 75.2056 GPRESSURE: 3179800 -106.442 82.4391 -86.531 174.435 -252.135 145.454 -160.426 98.0654 129.351 PRESSAVG: 3179800 -4.84643 30.907 -61.7018 30.907 -4.72986 29.5284 -61.7018 29.5284 -4.73164 GPRESSAVG: 3179800 -4.94579 30.5839 -62.7812 31.6255 -5.40307 30.777 -61.5116 27.3662 -5.15536 TIMING: 3179800 CPU: 9231.04, 0.00287742/step Wall: 9231.04, 0.00287742/step, 1.45486 hours remaining, 207.187500 MB of memory in use. ENERGY: 3179800 785.3888 2146.1277 1978.4638 105.4898 -205997.7304 17676.1390 0.0000 0.0000 34232.2135 -149073.9078 298.9584 -183306.1213 -148973.1346 300.1387 -106.1391 -76.4084 558909.9930 -4.7693 -5.1681 PRESSURE: 3180000 -320.905 95.6305 -17.6409 95.6304 -282.333 10.5933 -17.6404 10.5934 26.2722 GPRESSURE: 3180000 -260.065 93.5183 19.7115 -25.0098 -253.466 -60.1207 25.1119 41.895 26.5078 PRESSAVG: 3180000 -11.6114 40.7031 47.6782 40.7031 -26.6231 7.35995 47.6781 7.35995 37.8371 GPRESSAVG: 3180000 -12.895 41.222 46.5435 39.177 -25.5048 6.86453 48.2487 10.4932 37.8968 TIMING: 3180000 CPU: 9231.62, 0.00288974/step Wall: 9231.62, 0.00288974/step, 1.46092 hours remaining, 207.187500 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: 3180000 767.5194 2085.6927 1944.6931 108.4581 -205746.0665 17717.5493 0.0000 0.0000 34076.8356 -149045.3183 297.6015 -183122.1539 -148945.5276 299.9109 -192.3218 -162.3409 558643.3940 -0.1325 -0.1677 PRESSURE: 3180200 -60.8781 -85.8879 -133.43 -85.8884 121.43 60.7362 -133.43 60.7353 -270.4 GPRESSURE: 3180200 -40.3305 -119.467 -119.76 -75.3771 179.772 24.7082 -46.2242 14.3196 -262.567 PRESSAVG: 3180200 -58.8299 -13.2311 28.2027 -13.2311 -21.717 36.9683 28.2026 36.9682 54.9406 GPRESSAVG: 3180200 -57.5303 -13.3684 30.7204 -11.6641 -21.6398 38.6514 25.398 33.9737 54.6385 TIMING: 3180200 CPU: 9232.2, 0.00291052/step Wall: 9232.2, 0.00291052/step, 1.47127 hours remaining, 207.187500 MB of memory in use. ENERGY: 3180200 765.6701 2127.6398 1967.4061 117.1638 -206122.3645 17697.5694 0.0000 0.0000 34313.6537 -149133.2615 299.6697 -183446.9152 -149035.0785 299.7285 -69.9494 -41.0418 558089.4140 -8.5354 -8.1772 LDB: ============= START OF LOAD BALANCING ============== 9235.67 LDB: ============== END OF LOAD BALANCING =============== 9235.67 LDB: =============== DONE WITH MIGRATION ================ 9235.67 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 9235.96 LDB: Largest compute 4819 load 0.027831 is 23.6% of average load 0.117845 LDB: Average compute 0.001714 is 1.5% of average load 0.117845 LDB: TIME 9235.96 LOAD: AVG 0.117845 MAX 0.17696 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206 MB LDB: TIME 9235.96 LOAD: AVG 0.117845 MAX 0.17696 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: TIME 9235.96 LOAD: AVG 0.117845 MAX 0.17696 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9235.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9235.97 PRESSURE: 3180400 57.2884 132.49 -12.6579 132.489 -274.078 148.807 -12.6577 148.807 -28.0922 GPRESSURE: 3180400 74.0754 148.221 -68.8319 141.754 -241.194 163.912 -30.5007 199.776 22.0112 PRESSAVG: 3180400 80.2478 -9.55442 7.87035 -9.55424 -51.744 27.6903 7.87035 27.6902 -20.0281 GPRESSAVG: 3180400 79.5697 -10.9834 6.10765 -10.0673 -51.2119 25.0185 10.867 28.3817 -20.0369 TIMING: 3180400 CPU: 9232.79, 0.00294633/step Wall: 9232.79, 0.00294633/step, 1.48921 hours remaining, 207.503906 MB of memory in use. ENERGY: 3180400 756.0171 2093.5320 1968.2458 113.9518 -206000.4934 17628.3385 0.0000 0.0000 34136.3203 -149304.0879 298.1210 -183440.4082 -149214.8416 299.3146 -81.6272 -48.3692 559199.1199 2.8252 2.7736 PRESSURE: 3180600 -40.9002 71.8409 86.6297 71.841 205.376 91.3365 86.6291 91.3358 14.7361 GPRESSURE: 3180600 -45.3371 117.165 90.1494 39.8694 236.908 105.108 20.1434 87.8134 78.3192 PRESSAVG: 3180600 -16.1789 -36.7405 11.5444 -36.7405 12.1166 8.74463 11.5444 8.74455 11.8507 GPRESSAVG: 3180600 -14.8873 -34.383 11.1951 -39.551 10.589 9.81138 11.9246 9.11081 12.5725 TIMING: 3180600 CPU: 9233.37, 0.00289312/step Wall: 9233.37, 0.00289312/step, 1.46215 hours remaining, 207.765625 MB of memory in use. ENERGY: 3180600 730.4114 2126.8973 1953.7641 104.3611 -206473.3231 18047.9436 0.0000 0.0000 34234.7262 -149275.2194 298.9804 -183509.9456 -149176.1254 298.8433 59.7374 89.9634 557934.7040 2.5961 2.7581 PRESSURE: 3180800 6.06455 7.16966 29.4032 7.17013 250.061 48.7227 29.4042 48.7217 34.1847 GPRESSURE: 3180800 97.0802 15.0447 89.5191 -56.9611 200.458 80.444 -40.8394 11.1316 86.7542 PRESSAVG: 3180800 -83.2458 -5.16604 41.3728 -5.1661 0.142314 0.871594 41.3728 0.871535 49.2857 GPRESSAVG: 3180800 -83.4685 -6.4248 42.0574 -4.29229 0.432259 -0.379109 39.5349 3.2568 49.2447 TIMING: 3180800 CPU: 9233.94, 0.00287233/step Wall: 9233.94, 0.00287233/step, 1.45149 hours remaining, 207.976562 MB of memory in use. ENERGY: 3180800 785.9545 2085.8701 1976.2071 109.4217 -206747.2359 18153.6745 0.0000 0.0000 34439.7106 -149196.3974 300.7706 -183636.1080 -149093.8383 299.4667 96.7700 128.0976 557517.8616 -11.2726 -11.2639 PRESSURE: 3181000 -113.695 21.8963 -10.5529 21.8954 -80.2077 -245.373 -10.5524 -245.374 -139.478 GPRESSURE: 3181000 -81.3689 39.1787 -8.53551 -14.5662 -86.978 -215.933 -10.7833 -207.089 -74.3421 PRESSAVG: 3181000 -10.2926 38.7879 8.62088 38.7879 6.12259 0.439849 8.62086 0.43991 33.2592 GPRESSAVG: 3181000 -10.3644 38.6181 7.73561 41.2591 6.53425 3.11434 7.87115 -3.43277 33.0368 TIMING: 3181000 CPU: 9234.52, 0.00286763/step Wall: 9234.52, 0.00286762/step, 1.44895 hours remaining, 207.976562 MB of memory in use. ENERGY: 3181000 778.5576 2056.1034 1952.9281 98.2523 -206793.8080 17998.5479 0.0000 0.0000 34507.3469 -149402.0718 301.3612 -183909.4187 -149305.1349 300.0993 -111.1272 -80.8963 556976.6159 9.6964 9.7356 PRESSURE: 3181200 16.8936 180.187 -18.8387 180.187 131.508 24.7937 -18.8401 24.7951 131.269 GPRESSURE: 3181200 62.8656 190.557 -4.69334 164.317 123.069 65.837 -47.9534 33.0451 191.489 PRESSAVG: 3181200 -16.2677 33.1304 -13.4667 33.1305 -25.1836 -71.7635 -13.4667 -71.7634 47.7224 GPRESSAVG: 3181200 -16.149 34.734 -12.9358 30.796 -25.5734 -75.2907 -13.2793 -70.3292 47.8086 TIMING: 3181200 CPU: 9235.09, 0.00285997/step Wall: 9235.09, 0.00285997/step, 1.44492 hours remaining, 207.976562 MB of memory in use. ENERGY: 3181200 749.0806 2124.6278 1959.2997 121.4490 -206743.8222 18091.8594 0.0000 0.0000 34319.9456 -149377.5601 299.7246 -183697.5057 -149280.7611 299.9503 93.2234 125.8078 555697.3701 2.0904 2.0287 PRESSURE: 3181400 187.603 -95.5552 -213.385 -95.5556 -44.2194 80.8334 -213.387 80.8335 -186.851 GPRESSURE: 3181400 181.048 -157.48 -152.172 -27.4188 26.7565 72.2547 -169.414 26.0064 -149.072 PRESSAVG: 3181400 6.37648 53.7116 -25.0298 53.7116 -17.1027 -32.8884 -25.0299 -32.8884 -11.3668 GPRESSAVG: 3181400 6.16393 52.4003 -25.2099 55.6068 -16.9074 -31.17 -24.4675 -32.5656 -11.0489 TIMING: 3181400 CPU: 9235.66, 0.00287229/step Wall: 9235.66, 0.00287229/step, 1.45099 hours remaining, 207.976562 MB of memory in use. ENERGY: 3181400 760.3457 2108.2666 1958.7192 123.3652 -206308.2069 18012.5548 0.0000 0.0000 34058.4410 -149286.5145 297.4408 -183344.9555 -149187.3865 299.2287 -14.4891 19.5773 557601.2986 -7.3643 -7.2641 PRESSURE: 3181600 -40.8573 52.1744 -76.2611 52.1752 6.38917 -167.057 -76.2618 -167.056 57.2781 GPRESSURE: 3181600 44.337 82.7048 -75.1449 58.5092 8.69551 -157.853 -67.9272 -158.66 77.5279 PRESSAVG: 3181600 -37.7164 14.0224 -12.2156 14.0224 6.30501 22.9259 -12.2156 22.9259 18.0157 GPRESSAVG: 3181600 -36.1593 13.8378 -10.275 12.0528 5.39101 20.9376 -11.2103 23.4935 17.8154 TIMING: 3181600 CPU: 9236.24, 0.00287864/step Wall: 9236.24, 0.00287864/step, 1.45403 hours remaining, 207.976562 MB of memory in use. ENERGY: 3181600 769.9380 2093.8566 1931.5277 112.8420 -206975.7272 18148.9769 0.0000 0.0000 34448.1304 -149470.4557 300.8441 -183918.5861 -149386.0791 298.8557 7.6033 43.5201 557338.5174 -4.4652 -4.3176 PRESSURE: 3181800 93.2942 -29.4901 103.053 -29.4901 379.781 -163.018 103.053 -163.019 -220.871 GPRESSURE: 3181800 67.8202 25.0883 118.3 4.62812 435.298 -104.594 193.77 -153.323 -149.91 PRESSAVG: 3181800 -12.9482 20.6624 -7.85053 20.6625 26.8129 -6.78329 -7.85055 -6.78324 13.1069 GPRESSAVG: 3181800 -13.7112 19.7556 -8.75101 21.405 27.5957 -3.39848 -9.45098 -9.39986 13.1139 TIMING: 3181800 CPU: 9236.81, 0.00286211/step Wall: 9236.81, 0.00286211/step, 1.44553 hours remaining, 207.976562 MB of memory in use. ENERGY: 3181800 731.0114 2089.2684 1933.7813 110.3627 -206741.7472 18086.1523 0.0000 0.0000 34280.2584 -149510.9127 299.3780 -183791.1710 -149410.4576 299.4645 84.0681 117.7362 557641.5943 8.9905 8.9995 PRESSURE: 3182000 240.712 -80.7013 -55.6609 -80.7023 -58.2934 -220.341 -55.661 -220.342 173.503 GPRESSURE: 3182000 220.896 -81.7665 -66.9859 -104.598 12.2152 -214.204 -2.18061 -182.059 226.951 PRESSAVG: 3182000 22.9097 -28.4174 2.30056 -28.4175 18.3487 -25.3685 2.30058 -25.3685 -6.51247 GPRESSAVG: 3182000 22.637 -26.3128 2.94152 -30.0404 18.196 -28.4525 5.21664 -23.8485 -5.74274 TIMING: 3182000 CPU: 9237.38, 0.00285872/step Wall: 9237.38, 0.00285872/step, 1.44365 hours remaining, 207.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3182000 700.3705 2045.7800 1945.0045 101.1586 -206670.2860 17991.5530 0.0000 0.0000 34251.0810 -149635.3383 299.1232 -183886.4193 -149543.7897 298.4287 118.6404 153.3539 557156.9490 11.5820 11.6968 PRESSURE: 3182200 -97.7924 -58.8778 -161.71 -58.8782 -79.9511 -78.3218 -161.709 -78.3219 33.6475 GPRESSURE: 3182200 -55.8767 32.8832 -160.09 -69.3594 12.5657 -92.8345 -175.266 -116.865 -0.522342 PRESSAVG: 3182200 -17.9516 14.7476 -3.03228 14.7477 -6.55896 2.80067 -3.03246 2.80069 25.3779 GPRESSAVG: 3182200 -17.0594 14.3086 -4.04024 16.1029 -7.38619 5.47317 -5.78599 0.872173 24.9168 TIMING: 3182200 CPU: 9237.96, 0.00287966/step Wall: 9237.96, 0.00287966/step, 1.45407 hours remaining, 207.976562 MB of memory in use. ENERGY: 3182200 708.3193 2092.8117 1956.9993 119.2343 -206395.6166 17910.3907 0.0000 0.0000 33993.6123 -149614.2492 296.8747 -183607.8614 -149523.7161 297.7677 -48.0320 -14.6111 558406.2520 0.2891 0.1571 PRESSURE: 3182400 13.928 -36.6491 35.8013 -36.6493 -65.2216 33.2748 35.8013 33.2743 0.00700528 GPRESSURE: 3182400 116.886 -77.4908 15.3142 -56.4425 -71.4707 44.7306 48.6018 39.4646 -2.51176 PRESSAVG: 3182400 -34.194 -29.6931 -43.9962 -29.6931 -1.17228 -0.913491 -43.9962 -0.913424 37.9621 GPRESSAVG: 3182400 -34.6811 -30.813 -44.3218 -30.3152 -0.927473 -3.43887 -42.2622 1.6914 38.3553 TIMING: 3182400 CPU: 9238.53, 0.00287023/step Wall: 9238.53, 0.00287023/step, 1.44915 hours remaining, 207.976562 MB of memory in use. ENERGY: 3182400 748.1314 2044.5650 1950.9062 108.4945 -206643.7612 18124.8000 0.0000 0.0000 34232.6285 -149434.2356 298.9621 -183666.8641 -149331.0383 297.8321 -17.0955 14.3013 559897.0045 0.8653 0.9156 PRESSURE: 3182600 49.9743 -77.1773 111.846 -77.1781 -287.155 -31.0452 111.845 -31.0438 -111.339 GPRESSURE: 3182600 80.0687 -15.986 103.933 -126.388 -281.446 -24.9893 121.344 -35.9761 -38.2389 PRESSAVG: 3182600 34.6432 8.7945 26.4133 8.79456 19.6044 -11.9668 26.4132 -11.9667 -42.8097 GPRESSAVG: 3182600 33.9911 10.2128 27.3995 8.45301 20.2324 -12.0114 25.2145 -13.4508 -42.5352 TIMING: 3182600 CPU: 9239.11, 0.0028701/step Wall: 9239.11, 0.0028701/step, 1.44892 hours remaining, 207.976562 MB of memory in use. ENERGY: 3182600 738.9782 2143.6467 1957.0353 111.8412 -206033.1201 17609.3656 0.0000 0.0000 34142.9578 -149329.2952 298.1789 -183472.2530 -149231.3008 298.8403 -116.1735 -79.8720 560094.9862 3.8126 3.8961 PRESSURE: 3182800 -130.122 -120.221 -111.639 -120.221 -82.4519 156.311 -111.64 156.312 -59.6482 GPRESSURE: 3182800 -144.998 -116.496 -162.311 -128.764 25.5258 270.547 -127.571 122.704 -58.8149 PRESSAVG: 3182800 9.57176 -60.5057 -0.95383 -60.5057 -4.65893 14.4178 -0.953852 14.4179 -1.50849 GPRESSAVG: 3182800 9.72072 -61.0953 1.00939 -60.077 -5.20756 17.9946 -1.51392 14.8725 -1.42009 TIMING: 3182800 CPU: 9239.68, 0.00287438/step Wall: 9239.68, 0.00287438/step, 1.45092 hours remaining, 207.976562 MB of memory in use. ENERGY: 3182800 714.3124 2137.4964 1982.0734 120.9322 -206317.6068 17814.8084 0.0000 0.0000 34236.2846 -149311.6995 298.9940 -183547.9840 -149212.0659 298.9583 -90.7409 -59.4290 558969.3617 1.1348 1.0310 PRESSURE: 3183000 -257.56 121.049 -188.31 121.049 -134.232 -36.3092 -188.313 -36.3104 26.0737 GPRESSURE: 3183000 -213.784 29.0372 -126.087 77.4982 -116.064 -7.84985 -255.312 -51.4922 51.2664 PRESSAVG: 3183000 -6.06671 48.6402 -37.6134 48.6402 13.3743 -3.17044 -37.6135 -3.17046 -23.5162 GPRESSAVG: 3183000 -4.4912 48.9351 -39.4875 49.2732 13.0913 -6.56465 -37.5409 -3.92564 -24.9933 TIMING: 3183000 CPU: 9240.26, 0.00288641/step Wall: 9240.26, 0.00288641/step, 1.45683 hours remaining, 207.976562 MB of memory in use. ENERGY: 3183000 754.6949 2114.3457 1976.7651 107.7100 -206406.5868 17906.8765 0.0000 0.0000 34237.1099 -149309.0846 299.0012 -183546.1945 -149220.3656 299.0156 -121.9062 -92.8604 558910.1086 -5.4029 -5.4644 PRESSURE: 3183200 -138.983 76.3244 -29.0376 76.3251 -441.437 -21.7663 -29.0384 -21.7671 145.017 GPRESSURE: 3183200 -135.443 66.814 99.2309 118.082 -422.706 4.47821 -157.873 -37.8603 217.024 PRESSAVG: 3183200 41.7076 27.1415 13.0231 27.1415 -16.3392 16.7613 13.0231 16.7613 -32.5477 GPRESSAVG: 3183200 40.0987 26.0325 14.7141 26.6556 -15.1351 17.8044 11.9844 15.297 -32.6188 TIMING: 3183200 CPU: 9240.83, 0.00286511/step Wall: 9240.83, 0.00286511/step, 1.44593 hours remaining, 207.976562 MB of memory in use. ENERGY: 3183200 782.5393 2142.2851 1971.5354 122.6979 -205981.4107 17588.3697 0.0000 0.0000 34170.0945 -149203.8887 298.4159 -183373.9833 -149116.5504 299.6886 -145.1345 -113.7083 558302.3951 -2.3931 -2.5517 PRESSURE: 3183400 96.1715 -53.0943 45.0384 -53.0944 43.8284 -85.5714 45.0379 -85.5695 -253.87 GPRESSURE: 3183400 116.011 -36.9103 114.978 -62.4299 57.8748 -102.951 24.2942 -39.6046 -199.443 PRESSAVG: 3183400 31.9291 21.4009 9.72632 21.4009 43.7443 -24.9427 9.72627 -24.9429 -39.9491 GPRESSAVG: 3183400 32.6419 19.8621 8.84076 22.7356 42.6135 -26.4685 10.1047 -22.179 -39.2938 TIMING: 3183400 CPU: 9241.41, 0.00289965/step Wall: 9241.41, 0.00289965/step, 1.4632 hours remaining, 207.976562 MB of memory in use. ENERGY: 3183400 748.3358 2117.4817 1955.1101 121.2333 -206260.8558 17981.0855 0.0000 0.0000 34081.5775 -149256.0318 297.6429 -183337.6094 -149161.5410 299.7081 -37.9568 -8.5191 558391.8137 11.9081 11.9872 PRESSURE: 3183600 -274.696 193.235 -17.3952 193.235 -4.02324 -160.233 -17.3944 -160.235 52.2228 GPRESSURE: 3183600 -157.991 219.259 -43.8805 262.086 -0.617872 -209.35 38.788 -145.631 33.3187 PRESSAVG: 3183600 3.42102 43.6048 48.7964 43.6047 30.9661 -21.4007 48.7965 -21.4007 -58.5851 GPRESSAVG: 3183600 2.6665 46.3104 48.0324 41.252 31.4024 -20.7091 51.5597 -21.5915 -58.5428 TIMING: 3183600 CPU: 9241.99, 0.00289765/step Wall: 9241.99, 0.00289765/step, 1.46202 hours remaining, 207.976562 MB of memory in use. ENERGY: 3183600 730.7336 2090.9885 1964.2158 112.3719 -206499.1232 17762.0723 0.0000 0.0000 34371.5501 -149467.1911 300.1753 -183838.7412 -149371.3141 299.3689 -75.4988 -41.7633 558109.5718 -8.0660 -8.1580 PRESSURE: 3183800 -168.918 -117.438 221.494 -117.438 -172.714 -14.4092 221.495 -14.4115 -125.048 GPRESSURE: 3183800 -100.741 -200.016 242.663 -78.8802 -160.247 -136.597 236.642 56.142 -104.562 PRESSAVG: 3183800 1.82338 25.6463 14.9478 25.6462 34.7141 13.4376 14.9478 13.4375 6.54397 GPRESSAVG: 3183800 3.37832 23.3664 16.4134 27.6578 33.8191 13.4237 12.5581 13.154 5.37768 TIMING: 3183800 CPU: 9242.57, 0.00287628/step Wall: 9242.57, 0.00287628/step, 1.45108 hours remaining, 207.976562 MB of memory in use. ENERGY: 3183800 711.6380 2051.2087 1948.6017 107.6913 -206266.0058 17724.6462 0.0000 0.0000 34201.1164 -149521.1034 298.6869 -183722.2198 -149423.4492 298.8704 -155.5602 -121.8501 558150.6981 14.3605 14.1917 PRESSURE: 3184000 -12.0949 -111.686 -94.2428 -111.685 -15.2602 -55.0486 -94.2433 -55.0498 32.9823 GPRESSURE: 3184000 -11.5022 -153.063 -130.927 49.8512 -1.55213 -79.212 -80.0279 19.3626 127.885 PRESSAVG: 3184000 34.918 -41.5648 -25.834 -41.5648 -20.0591 -31.5435 -25.8341 -31.5435 -16.5375 GPRESSAVG: 3184000 33.4244 -38.2926 -27.0911 -43.0305 -19.8997 -31.4483 -25.0525 -31.4972 -15.0858 TIMING: 3184000 CPU: 9243.15, 0.00290081/step Wall: 9243.15, 0.00290081/step, 1.4633 hours remaining, 207.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3184000 763.7951 2065.9159 1950.7975 115.8767 -206424.2644 17842.8300 0.0000 0.0000 34321.2627 -149363.7865 299.7361 -183685.0492 -149267.1991 298.6132 1.8757 38.2770 559156.3516 -0.5595 -0.5203 PRESSURE: 3184200 -72.1941 -100.003 32.4073 -100.003 -207.127 -60.0223 32.4068 -60.0245 -200.844 GPRESSURE: 3184200 -10.1282 -103.319 -47.3652 -125.84 -162.625 -140.282 32.7291 -31.0291 -207.132 PRESSAVG: 3184200 -35.8617 -38.3899 -29.8424 -38.3898 10.0778 1.41605 -29.8426 1.41599 -3.46748 GPRESSAVG: 3184200 -36.251 -39.5605 -30.4669 -36.7713 10.4085 2.81064 -30.1853 1.13341 -3.74941 TIMING: 3184200 CPU: 9243.72, 0.00287574/step Wall: 9243.72, 0.00287574/step, 1.45049 hours remaining, 207.976562 MB of memory in use. ENERGY: 3184200 747.4806 2067.9334 1950.7750 116.0761 -205932.5170 17629.7275 0.0000 0.0000 34052.1257 -149368.3987 297.3857 -183420.5244 -149274.7673 298.6488 -160.0549 -126.6285 557618.0280 -9.7504 -9.8640 LDB: ============= START OF LOAD BALANCING ============== 9247.19 LDB: ============== END OF LOAD BALANCING =============== 9247.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9247.19 LDB: ============= START OF LOAD BALANCING ============== 9247.48 LDB: Largest compute 4848 load 0.028925 is 24.5% of average load 0.117863 LDB: Average compute 0.001716 is 1.5% of average load 0.117863 LDB: TIME 9247.48 LOAD: AVG 0.117863 MAX 0.179984 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.852 MB LDB: TIME 9247.48 LOAD: AVG 0.117863 MAX 0.179984 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.984 MB LDB: TIME 9247.48 LOAD: AVG 0.117863 MAX 0.179984 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.984 MB LDB: ============== END OF LOAD BALANCING =============== 9247.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9247.49 PRESSURE: 3184400 90.4358 -43.7529 64.9336 -43.7529 189.416 -133.44 64.9325 -133.439 -55.0721 GPRESSURE: 3184400 125.634 -26.2841 89.8432 21.0967 155.753 -192.084 24.9914 -75.5296 42.2481 PRESSAVG: 3184400 -40.1569 -35.3388 7.88527 -35.3388 11.9808 -23.2454 7.88528 -23.2455 22.2159 GPRESSAVG: 3184400 -41.0932 -34.7522 8.80571 -35.5483 11.0658 -24.4022 7.67845 -24.1132 23.6513 TIMING: 3184400 CPU: 9244.31, 0.00294671/step Wall: 9244.31, 0.00294671/step, 1.48612 hours remaining, 206.660156 MB of memory in use. ENERGY: 3184400 752.3961 2076.1168 1975.5790 105.6647 -206342.4067 17972.0049 0.0000 0.0000 34175.2219 -149285.4233 298.4607 -183460.6452 -149186.2065 299.1754 74.9265 107.8784 556252.2049 -1.9867 -2.1254 PRESSURE: 3184600 -220.434 -92.1426 58.3692 -92.142 -178.308 -92.715 58.3701 -92.7145 -230.663 GPRESSURE: 3184600 -217.256 -122.484 16.5728 -111.681 -129.401 -90.6764 24.8794 -21.241 -188.109 PRESSAVG: 3184600 -25.1745 -35.5124 -3.53716 -35.5124 32.3226 29.7294 -3.53712 29.7295 -46.7459 GPRESSAVG: 3184600 -23.8476 -34.8728 -2.26353 -35.9173 32.5786 31.1982 -1.31576 29.3077 -48.0871 TIMING: 3184600 CPU: 9244.89, 0.00288491/step Wall: 9244.89, 0.00288491/step, 1.4548 hours remaining, 206.863281 MB of memory in use. ENERGY: 3184600 773.0767 2090.1720 1970.4896 123.6056 -206046.0656 17637.5510 0.0000 0.0000 34161.8707 -149289.3000 298.3441 -183451.1707 -149199.8690 299.8508 -209.8015 -178.2552 556553.8426 -13.1993 -13.1187 PRESSURE: 3184800 71.739 -27.56 268.241 -27.5592 -224.543 -66.6671 268.241 -66.6676 -189.592 GPRESSURE: 3184800 82.125 7.90658 141.251 -69.1088 -142.493 -63.8247 297.003 -136.947 -173.456 PRESSAVG: 3184800 6.76061 41.9002 -9.31114 41.9003 62.9796 2.53368 -9.31112 2.53371 -49.6334 GPRESSAVG: 3184800 5.91503 42.1985 -9.78485 41.0292 63.5806 2.54736 -11.4217 2.41934 -49.791 TIMING: 3184800 CPU: 9245.47, 0.00289494/step Wall: 9245.47, 0.00289494/step, 1.45969 hours remaining, 206.863281 MB of memory in use. ENERGY: 3184800 782.2337 2056.1398 1985.7408 113.2301 -206167.2543 17703.1332 0.0000 0.0000 34271.5250 -149255.2517 299.3018 -183526.7767 -149164.0305 299.1676 -114.1319 -77.9412 556885.6724 6.7023 6.5682 PRESSURE: 3185000 -295.783 133.431 71.5119 133.432 27.1186 -44.1844 71.5122 -44.1845 -187.66 GPRESSURE: 3185000 -295.25 122.124 91.1467 102.718 75.9495 -1.09733 134.516 -38.1531 -137.871 PRESSAVG: 3185000 -15.0567 2.25663 44.2384 2.25664 -8.64746 -25.1857 44.2383 -25.1858 31.2076 GPRESSAVG: 3185000 -14.1017 -0.0636596 43.2418 3.05066 -9.61013 -25.4025 45.8632 -24.0823 31.3413 TIMING: 3185000 CPU: 9246.04, 0.00285646/step Wall: 9246.04, 0.00285646/step, 1.44013 hours remaining, 206.863281 MB of memory in use. ENERGY: 3185000 742.2910 2069.2549 1977.2933 108.9246 -205665.3077 17495.5368 0.0000 0.0000 34045.4118 -149226.5953 297.3270 -183272.0071 -149130.0142 298.8605 -152.1080 -119.0574 557966.1984 2.5012 2.5432 PRESSURE: 3185200 -144.201 -76.6428 -174.21 -76.6425 -398.73 -75.8096 -174.21 -75.81 -186.58 GPRESSURE: 3185200 -83.0006 -58.8625 -179.292 -93.1397 -346.6 26.6883 -174.566 -37.1602 -204.897 PRESSAVG: 3185200 3.40811 25.7643 12.1803 25.7643 60.4197 3.69303 12.1802 3.6929 -58.7393 GPRESSAVG: 3185200 3.6429 24.9763 11.474 25.0021 61.3716 3.95481 12.3194 3.12032 -59.4716 TIMING: 3185200 CPU: 9246.62, 0.00288537/step Wall: 9246.62, 0.00288537/step, 1.45455 hours remaining, 206.863281 MB of memory in use. ENERGY: 3185200 767.5784 2039.9450 1980.6515 113.5832 -205475.0390 17394.7857 0.0000 0.0000 34125.2315 -149053.2637 298.0241 -183178.4952 -148957.8037 299.2229 -243.1702 -211.4991 558220.7926 1.6961 1.8476 PRESSURE: 3185400 58.6834 -127.613 2.52348 -127.612 -182.252 74.4841 2.5232 74.4846 104.639 GPRESSURE: 3185400 19.5788 -167.359 -47.3603 -39.3419 -127.608 77.0432 3.13185 119.349 176.962 PRESSAVG: 3185400 -47.3225 -17.7647 -62.6361 -17.7647 32.3959 -15.9166 -62.636 -15.9167 12.546 GPRESSAVG: 3185400 -48.3985 -17.3658 -60.3048 -16.3836 32.7255 -17.571 -64.217 -15.2758 12.7672 TIMING: 3185400 CPU: 9247.19, 0.00286295/step Wall: 9247.19, 0.00286295/step, 1.44309 hours remaining, 207.062500 MB of memory in use. ENERGY: 3185400 765.4749 2042.2407 1961.2168 108.1920 -206078.2740 17814.6964 0.0000 0.0000 34442.9255 -148943.5277 300.7986 -183386.4532 -148846.7959 299.5207 -6.3097 22.9776 558164.2032 -0.7935 -0.9686 PRESSURE: 3185600 -58.8895 -18.3642 -70.5721 -18.3647 -5.31502 67.7406 -70.571 67.7399 1.15091 GPRESSURE: 3185600 -33.43 31.4224 -124.603 -68.8929 49.813 9.25358 -87.0727 64.4285 18.7328 PRESSAVG: 3185600 -45.8773 -26.4176 -7.94581 -26.4177 81.8517 47.0387 -7.94574 47.0387 -23.0377 GPRESSAVG: 3185600 -44.8397 -26.2208 -9.92679 -28.1227 81.5671 49.3918 -7.15498 46.0214 -23.9795 TIMING: 3185600 CPU: 9247.77, 0.00289584/step Wall: 9247.77, 0.00289584/step, 1.4595 hours remaining, 207.304688 MB of memory in use. ENERGY: 3185600 757.5935 2116.5934 1965.9770 104.4441 -206130.0570 17865.5085 0.0000 0.0000 34315.4672 -149004.4732 299.6855 -183319.9404 -148907.9976 300.1005 -21.0179 11.7053 558427.4174 4.3122 4.2493 PRESSURE: 3185800 -216.32 -61.6395 -30.6025 -61.6407 -112.408 106.653 -30.6021 106.654 -51.5028 GPRESSURE: 3185800 -231.438 -161.794 -99.3283 -13.6271 -67.4014 147.017 29.9849 57.5165 16.8975 PRESSAVG: 3185800 -18.2148 -54.3408 -61.5274 -54.3408 53.1511 -42.6586 -61.5274 -42.6586 6.01158 GPRESSAVG: 3185800 -18.4525 -53.8069 -61.8796 -54.2438 53.2629 -42.1374 -61.2151 -43.3681 6.12007 TIMING: 3185800 CPU: 9248.35, 0.00290879/step Wall: 9248.35, 0.00290879/step, 1.46587 hours remaining, 207.304688 MB of memory in use. ENERGY: 3185800 774.9151 2103.9040 1951.1742 111.7607 -205780.4952 17530.6503 0.0000 0.0000 34090.5287 -149217.5621 297.7211 -183308.0908 -149121.9066 299.5599 -126.7439 -93.9806 557847.7921 13.6493 13.6435 PRESSURE: 3186000 71.0349 -113.143 116.079 -113.143 25.7042 -1.09172 116.079 -1.0931 -131.826 GPRESSURE: 3186000 86.6961 -51.1117 80.9241 -180.533 63.6115 -49.3764 57.8873 50.1749 -92.9799 PRESSAVG: 3186000 43.3172 0.461455 -0.805969 0.461483 33.5018 -7.61788 -0.806029 -7.61796 -29.7789 GPRESSAVG: 3186000 43.4554 -0.030347 1.48913 0.535097 33.1415 -8.11574 -2.59752 -4.83509 -29.9316 TIMING: 3186000 CPU: 9248.93, 0.00291624/step Wall: 9248.93, 0.00291624/step, 1.46946 hours remaining, 207.304688 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: 3186000 741.9097 2096.8879 1958.2520 104.3356 -206113.9642 17867.7179 0.0000 0.0000 34384.9319 -148959.9294 300.2922 -183344.8612 -148862.8831 299.3649 -11.6958 19.1093 557598.2790 15.6800 15.5551 PRESSURE: 3186200 -216.777 39.3459 7.43712 39.3462 -47.6152 -257.444 7.4367 -257.445 33.5204 GPRESSURE: 3186200 -180.889 30.559 14.847 -4.35105 -10.3012 -238.63 30.8138 -254.972 61.2722 PRESSAVG: 3186200 22.639 -18.3052 -11.9228 -18.3051 -72.2793 -32.3922 -11.9227 -32.3921 37.8735 GPRESSAVG: 3186200 23.333 -16.946 -11.0391 -17.1201 -73.1587 -33.4375 -11.6752 -33.6101 37.889 TIMING: 3186200 CPU: 9249.51, 0.0029064/step Wall: 9249.51, 0.0029064/step, 1.46434 hours remaining, 207.304688 MB of memory in use. ENERGY: 3186200 739.5706 2074.1364 1958.1684 126.7518 -205675.3541 17690.1464 0.0000 0.0000 34100.1309 -148986.4496 297.8049 -183086.5805 -148894.4019 299.8477 -76.9574 -43.3060 559978.4079 -3.9222 -3.9789 PRESSURE: 3186400 -153.253 69.2734 88.762 69.2723 -305.421 -15.2957 88.7628 -15.2979 -292.399 GPRESSURE: 3186400 -121.145 69.7292 158.796 75.2443 -225.183 56.7685 60.2384 3.91389 -306.687 PRESSAVG: 3186400 -17.1072 -7.79306 -8.60832 -7.79303 12.5465 7.43307 -8.6083 7.43302 12.0335 GPRESSAVG: 3186400 -16.8857 -8.9077 -11.4113 -8.10096 13.133 7.18962 -6.55331 8.70795 10.4775 TIMING: 3186400 CPU: 9250.09, 0.00287999/step Wall: 9250.09, 0.00287999/step, 1.45088 hours remaining, 207.304688 MB of memory in use. ENERGY: 3186400 753.6852 2138.9764 1978.4870 112.2103 -206007.5998 17577.1127 0.0000 0.0000 34520.6095 -148926.5187 301.4771 -183447.1282 -148825.5153 299.4939 -250.3575 -217.6715 559566.7677 2.4909 2.2416 PRESSURE: 3186600 -300.242 -24.3919 -51.5996 -24.3926 -218.404 -8.34539 -51.599 -8.34443 222.999 GPRESSURE: 3186600 -348.77 -7.73879 -26.2595 -26.5424 -176.16 47.6819 -50.7813 -30.7107 320.119 PRESSAVG: 3186600 1.35967 12.721 -27.0314 12.721 56.7869 -29.1763 -27.0313 -29.1763 -32.9176 GPRESSAVG: 3186600 0.126261 12.199 -26.0018 13.4668 56.8471 -29.3731 -28.274 -30.9541 -31.7632 TIMING: 3186600 CPU: 9250.67, 0.00290319/step Wall: 9250.67, 0.00290319/step, 1.4624 hours remaining, 207.304688 MB of memory in use. ENERGY: 3186600 767.4716 2097.4973 1954.7071 115.6573 -205661.6603 17552.1598 0.0000 0.0000 34290.4794 -148883.6877 299.4673 -183174.1672 -148788.8173 300.0396 -98.5491 -68.2703 559079.7495 8.4097 8.4034 PRESSURE: 3186800 -150.164 -16.2689 140.733 -16.268 -178.898 -55.3988 140.734 -55.3986 75.9502 GPRESSURE: 3186800 -72.991 -7.86066 143.884 -74.1191 -157.061 -77.5981 149.472 -87.5059 85.7644 PRESSAVG: 3186800 -72.4043 25.2044 53.7193 25.2044 6.13031 -26.1058 53.7193 -26.1058 36.6458 GPRESSAVG: 3186800 -71.7219 26.5444 54.7605 24.7919 6.60484 -27.4737 54.8168 -24.2208 35.7916 TIMING: 3186800 CPU: 9251.25, 0.00289825/step Wall: 9251.25, 0.00289825/step, 1.45975 hours remaining, 207.304688 MB of memory in use. ENERGY: 3186800 720.5041 2089.2895 1958.8467 109.5309 -205877.0460 17761.6055 0.0000 0.0000 34219.1172 -149018.1520 298.8441 -183237.2692 -148923.5647 299.0365 -84.3706 -48.0959 558246.7865 -9.8761 -9.7752 PRESSURE: 3187000 116.301 -90.805 -104.63 -90.8043 208.314 -52.3372 -104.629 -52.3364 -170.785 GPRESSURE: 3187000 153.989 -97.9426 -91.6712 -188.339 193.53 -20.6909 -10.4704 -13.9569 -90.2501 PRESSAVG: 3187000 38.9025 -33.9929 16.3168 -33.9928 2.30885 35.4523 16.3168 35.4523 -0.518914 GPRESSAVG: 3187000 39.0376 -36.0564 15.5312 -32.9039 1.53759 36.3849 16.5608 35.3374 0.259728 TIMING: 3187000 CPU: 9251.83, 0.00287726/step Wall: 9251.83, 0.00287726/step, 1.44902 hours remaining, 207.304688 MB of memory in use. ENERGY: 3187000 742.3216 2106.1712 1952.1669 113.4684 -206151.8468 17950.3747 0.0000 0.0000 34333.3430 -148954.0010 299.8416 -183287.3440 -148854.9651 299.2199 51.2766 85.7563 556160.8037 13.5642 13.6116 PRESSURE: 3187200 -163.669 -92.485 83.3127 -92.4846 -24.3198 -12.1456 83.3126 -12.1454 -91.2379 GPRESSURE: 3187200 -124.131 -101.597 44.3585 -2.62421 -7.10406 -1.94885 34.92 -49.5688 -61.424 PRESSAVG: 3187200 -56.9341 37.697 -49.4872 37.6971 26.7655 71.1414 -49.4871 71.1413 26.1022 GPRESSAVG: 3187200 -57.4964 38.368 -48.2069 36.0215 26.9189 70.5093 -49.2801 70.7635 26.6105 TIMING: 3187200 CPU: 9252.4, 0.0028934/step Wall: 9252.4, 0.0028934/step, 1.45699 hours remaining, 207.304688 MB of memory in use. ENERGY: 3187200 742.2923 2114.7592 1945.9614 102.3905 -205594.4920 17512.6253 0.0000 0.0000 34291.1469 -148885.3164 299.4731 -183176.4632 -148799.3845 299.7516 -93.0755 -64.2197 556904.0531 -1.3555 -1.3223 PRESSURE: 3187400 -266.106 -123.754 -15.2794 -123.753 -107.63 -234.531 -15.2782 -234.532 -41.6594 GPRESSURE: 3187400 -202.929 -51.6606 -131.237 -193.171 -74.6024 -223.606 -15.5969 -227.988 -39.3675 PRESSAVG: 3187400 -101.241 45.8028 40.2259 45.8027 42.7708 -10.0827 40.2258 -10.0828 59.7434 GPRESSAVG: 3187400 -101.692 46.1759 39.4967 47.3656 43.8345 -9.78877 39.9161 -11.1084 59.3704 TIMING: 3187400 CPU: 9252.99, 0.00290463/step Wall: 9252.99, 0.00290463/step, 1.46248 hours remaining, 207.304688 MB of memory in use. ENERGY: 3187400 739.9448 2136.4407 1919.9869 115.9169 -205576.8180 17504.8875 0.0000 0.0000 34325.2913 -148834.3500 299.7713 -183159.6412 -148736.0079 300.0911 -138.4651 -105.6329 558444.5278 0.4245 0.5043 PRESSURE: 3187600 -98.9988 143.164 38.1051 143.163 -28.0324 -86.4274 38.1063 -86.4271 6.17948 GPRESSURE: 3187600 -31.5842 165.966 46.7215 58.5771 -13.8707 -153.425 9.8263 3.23697 2.36246 PRESSAVG: 3187600 -14.9406 39.8016 -2.80216 39.8016 6.97266 -41.8552 -2.80217 -41.8551 22.4659 GPRESSAVG: 3187600 -13.1222 40.8831 -5.16523 36.7174 5.35291 -42.3567 -0.248373 -39.6454 22.0907 TIMING: 3187600 CPU: 9253.56, 0.0028863/step Wall: 9253.56, 0.0028863/step, 1.45309 hours remaining, 207.304688 MB of memory in use. ENERGY: 3187600 732.5277 2144.6714 1964.6276 118.4281 -205762.9200 17732.6544 0.0000 0.0000 34180.4205 -148889.5904 298.5061 -183070.0108 -148792.6676 299.6572 -40.2839 -14.3641 557954.4388 4.8327 4.7738 PRESSURE: 3187800 -181.628 22.3287 -53.4631 22.328 -189.022 94.1851 -53.4641 94.1848 -210.924 GPRESSURE: 3187800 -179.857 3.92174 -55.7763 73.0817 -161.117 127.038 -85.5336 60.0337 -144.165 PRESSAVG: 3187800 93.2267 24.8602 11.3386 24.8602 -95.6187 11.8018 11.3385 11.8019 -9.60155 GPRESSAVG: 3187800 91.3608 24.1174 13.2061 24.0899 -96.1377 14.082 8.21756 10.4387 -6.93643 TIMING: 3187800 CPU: 9254.14, 0.00290731/step Wall: 9254.14, 0.0029073/step, 1.4635 hours remaining, 207.304688 MB of memory in use. ENERGY: 3187800 724.4283 2147.5644 1975.7640 114.2073 -205669.5945 17606.4411 0.0000 0.0000 34229.9360 -148871.2535 298.9385 -183101.1895 -148776.0756 299.9752 -193.8579 -161.7130 559593.3906 -3.9979 -3.9044 PRESSURE: 3188000 -169.587 -123.648 56.5388 -123.648 -91.2175 3.53342 56.5383 3.53367 -391.388 GPRESSURE: 3188000 -198.427 -129.708 52.2475 -38.5688 0.920595 23.159 106.537 46.83 -360.639 PRESSAVG: 3188000 72.2108 -13.1944 3.55361 -13.1945 -23.4598 16.2282 3.55355 16.2282 -38.8601 GPRESSAVG: 3188000 73.5426 -13.0814 1.31726 -10.9643 -23.0028 13.4626 4.97404 15.3999 -40.3501 TIMING: 3188000 CPU: 9254.72, 0.00289259/step Wall: 9254.72, 0.0028926/step, 1.45594 hours remaining, 207.304688 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: 3188000 765.9756 2089.9405 1979.4404 116.9344 -205543.2936 17577.8951 0.0000 0.0000 34257.4116 -148755.6960 299.1785 -183013.1077 -148652.4469 299.6676 -217.3976 -186.0485 559145.7254 3.2970 3.3966 PRESSURE: 3188200 -91.8057 4.49366 -64.7599 4.49479 3.73409 182.854 -64.7598 182.853 -175.202 GPRESSURE: 3188200 -50.9503 61.6324 -26.7268 2.56728 23.6961 133.645 -84.9179 164.626 -143.808 PRESSAVG: 3188200 12.3784 5.69443 -49.0171 5.69443 -53.9853 22.3123 -49.017 22.3121 -2.37423 GPRESSAVG: 3188200 12.8333 5.0388 -46.6162 6.59667 -53.8707 23.5155 -50.9965 23.0286 -2.52349 TIMING: 3188200 CPU: 9255.3, 0.00287465/step Wall: 9255.3, 0.00287465/step, 1.44675 hours remaining, 207.304688 MB of memory in use. ENERGY: 3188200 776.5361 2088.3703 1988.3096 104.9753 -205926.6930 17707.9594 0.0000 0.0000 34496.1662 -148764.3761 301.2636 -183260.5423 -148671.2266 300.0716 -87.7578 -57.0207 558997.2924 -14.6603 -14.5203 LDB: ============= START OF LOAD BALANCING ============== 9258.76 LDB: ============== END OF LOAD BALANCING =============== 9258.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9258.76 LDB: ============= START OF LOAD BALANCING ============== 9259.05 LDB: Largest compute 4848 load 0.028337 is 24.1% of average load 0.117775 LDB: Average compute 0.001706 is 1.4% of average load 0.117775 LDB: TIME 9259.06 LOAD: AVG 0.117775 MAX 0.178966 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 9259.06 LOAD: AVG 0.117775 MAX 0.178966 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: TIME 9259.06 LOAD: AVG 0.117775 MAX 0.178966 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: ============== END OF LOAD BALANCING =============== 9259.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9259.06 PRESSURE: 3188400 14.2413 -77.9573 -125.12 -77.9568 -219.957 59.4616 -125.12 59.4635 -170.752 GPRESSURE: 3188400 50.0469 -171.595 -186.781 -20.0073 -189.895 32.0199 -73.7969 146.488 -137.995 PRESSAVG: 3188400 -39.6021 -4.76134 0.505623 -4.76133 22.2141 -16.6108 0.505633 -16.6108 -32.2821 GPRESSAVG: 3188400 -38.9005 -4.71927 0.840702 -5.65953 22.1389 -18.491 0.658895 -14.26 -32.221 TIMING: 3188400 CPU: 9255.89, 0.00294668/step Wall: 9255.89, 0.00294668/step, 1.48283 hours remaining, 205.480469 MB of memory in use. ENERGY: 3188400 736.5471 2164.2429 1932.4158 105.3473 -206066.3840 17669.2554 0.0000 0.0000 34663.0590 -148795.5165 302.7211 -183458.5755 -148699.5693 300.3584 -125.4892 -92.6142 559001.9791 -16.5567 -16.3276 PRESSURE: 3188600 118.269 -58.4739 -123.741 -58.474 150.982 89.0387 -123.741 89.039 220.062 GPRESSURE: 3188600 111.74 -92.3705 -222.844 -78.6441 212.996 110.395 -95.3212 74.7306 254.465 PRESSAVG: 3188600 56.4659 -4.76448 -16.7799 -4.76447 -55.8284 2.37141 -16.7798 2.37151 22.5619 GPRESSAVG: 3188600 56.0254 -4.54458 -15.1537 -5.90786 -55.1626 2.49072 -16.009 -0.423295 22.0383 TIMING: 3188600 CPU: 9256.47, 0.00290015/step Wall: 9256.47, 0.00290015/step, 1.45926 hours remaining, 205.683594 MB of memory in use. ENERGY: 3188600 714.4084 2100.4272 1986.0614 116.3578 -206283.5826 18069.9543 0.0000 0.0000 34507.6358 -148788.7377 301.3638 -183296.3735 -148688.2750 300.5811 163.1045 193.0670 557835.8422 7.7331 7.6337 PRESSURE: 3188800 277.749 118.924 16.5982 118.924 407.655 -116.814 16.5994 -116.814 239.558 GPRESSURE: 3188800 264.888 82.6958 15.715 100.662 472.747 -95.1744 59.6065 -185.591 294.635 PRESSAVG: 3188800 39.1215 -14.2838 20.6639 -14.2839 -11.8685 40.4727 20.664 40.4727 -15.038 GPRESSAVG: 3188800 38.7715 -12.3936 20.2686 -14.7274 -12.4159 42.4823 18.9719 40.9685 -13.9752 TIMING: 3188800 CPU: 9257.05, 0.00290225/step Wall: 9257.05, 0.00290225/step, 1.46016 hours remaining, 205.683594 MB of memory in use. ENERGY: 3188800 722.7266 2121.2183 1981.2056 103.9044 -206201.9003 18255.8290 0.0000 0.0000 34325.8284 -148691.1882 299.7760 -183017.0165 -148598.9269 300.4275 308.3206 344.0901 558073.4556 4.0717 4.1268 PRESSURE: 3189000 -26.4306 27.2254 -2.13376 27.2248 -175.436 -34.457 -2.13403 -34.4571 -231.095 GPRESSURE: 3189000 46.2488 -61.3125 -34.2866 8.78967 -165.103 -18.923 68.3292 -30.8665 -220.377 PRESSAVG: 3189000 69.0055 -20.8245 -7.57502 -20.8246 -13.7743 12.9547 -7.57507 12.9547 -56.6027 GPRESSAVG: 3189000 69.3072 -20.6251 -9.41438 -19.7407 -13.7152 14.2654 -6.44304 12.8828 -57.5481 TIMING: 3189000 CPU: 9257.63, 0.00290632/step Wall: 9257.63, 0.00290632/step, 1.46204 hours remaining, 205.984375 MB of memory in use. ENERGY: 3189000 698.1724 2110.9398 1979.9642 112.5168 -205319.4732 17201.1264 0.0000 0.0000 34423.7810 -148792.9725 300.6314 -183216.7536 -148695.4796 300.4985 -144.3208 -113.0771 558951.2374 -0.4572 -0.6520 PRESSURE: 3189200 35.0665 21.0936 -81.0148 21.0939 3.22192 163.851 -81.0152 163.851 -182.9 GPRESSURE: 3189200 31.0857 80.9026 37.9842 23.7568 39.8735 147.414 -80.938 122.383 -113.789 PRESSAVG: 3189200 33.8304 21.1851 -18.201 21.185 -12.0152 -6.09568 -18.2011 -6.09559 -14.9268 GPRESSAVG: 3189200 32.8466 19.3261 -19.0284 22.8779 -11.8856 -5.6038 -15.818 -8.20767 -14.2729 TIMING: 3189200 CPU: 9258.21, 0.00288203/step Wall: 9258.21, 0.00288203/step, 1.44966 hours remaining, 205.984375 MB of memory in use. ENERGY: 3189200 775.7433 2070.7767 1953.9857 112.8997 -206069.3342 17936.4154 0.0000 0.0000 34328.2773 -148891.2360 299.7974 -183219.5133 -148796.1745 300.7918 -48.2040 -14.2766 558213.6104 2.2962 2.2294 PRESSURE: 3189400 -274.497 56.4515 -44.5109 56.4503 58.7886 98.9896 -44.5109 98.9895 -98.8514 GPRESSURE: 3189400 -229.614 -30.8449 -82.0501 12.8549 75.1749 83.9121 41.2587 79.4779 -64.6784 PRESSAVG: 3189400 -0.196163 -7.495 -29.5834 -7.49505 80.7017 -8.28959 -29.5834 -8.28967 -72.0022 GPRESSAVG: 3189400 0.471955 -6.09494 -28.2459 -7.4415 80.4933 -8.66717 -31.1325 -6.47184 -72.2115 TIMING: 3189400 CPU: 9258.78, 0.00289405/step Wall: 9258.78, 0.00289405/step, 1.45555 hours remaining, 205.984375 MB of memory in use. ENERGY: 3189400 751.8295 2065.6881 1960.6041 109.7385 -205909.7382 17616.5294 0.0000 0.0000 34378.2962 -149027.0525 300.2342 -183405.3487 -148928.4763 300.2482 -104.8532 -73.0392 558166.0302 2.8344 2.9179 PRESSURE: 3189600 194.644 128.111 -165.645 128.111 -81.7395 205.54 -165.646 205.538 193.36 GPRESSURE: 3189600 221.777 210.951 -101.9 109.412 -36.8561 187.673 -223.774 229.766 210.84 PRESSAVG: 3189600 -28.9053 44.3934 -69.8903 44.3934 21.4922 -0.0889772 -69.8904 -0.0889123 -0.724961 GPRESSAVG: 3189600 -29.2772 43.1861 -69.3768 45.6723 21.6892 -1.43203 -71.1857 -0.527617 -0.78231 TIMING: 3189600 CPU: 9259.37, 0.00290728/step Wall: 9259.37, 0.00290728/step, 1.46204 hours remaining, 205.984375 MB of memory in use. ENERGY: 3189600 685.1186 2057.6622 1964.3293 112.8102 -205964.5944 17856.7708 0.0000 0.0000 34307.1089 -148980.7942 299.6125 -183287.9032 -148890.3751 299.5317 102.0880 131.9204 557968.3484 -2.7127 -2.7901 PRESSURE: 3189800 211.167 -196.082 179.722 -196.083 -9.12061 -58.7264 179.723 -58.7269 17.9193 GPRESSURE: 3189800 226.134 -226.686 244.749 -184.518 15.5123 -127.3 99.9857 -28.6615 67.9504 PRESSAVG: 3189800 10.9476 -8.34772 44.047 -8.3477 10.9849 -17.5431 44.047 -17.5431 -7.73166 GPRESSAVG: 3189800 10.1144 -5.46736 43.8223 -10.6366 11.1969 -17.0808 44.2334 -17.1419 -7.78544 TIMING: 3189800 CPU: 9259.94, 0.00288444/step Wall: 9259.94, 0.00288444/step, 1.45039 hours remaining, 205.984375 MB of memory in use. ENERGY: 3189800 678.6559 2027.5665 1975.1459 115.4323 -205867.2766 17802.7886 0.0000 0.0000 34387.1926 -148880.4949 300.3119 -183267.6874 -148783.7832 299.5697 73.3220 103.1988 558776.9259 4.7336 4.5086 PRESSURE: 3190000 122.655 145.008 6.50487 145.009 24.2827 -202.82 6.50451 -202.819 7.15605 GPRESSURE: 3190000 214.031 175.135 -59.0766 29.4943 35.0676 -174.709 21.2248 -168.068 0.52933 PRESSAVG: 3190000 -19.9692 -1.72616 -28.8528 -1.72615 -46.7044 -19.4746 -28.8529 -19.4747 43.5304 GPRESSAVG: 3190000 -19.3553 -3.2831 -27.8536 -1.27214 -47.6117 -20.0816 -26.6344 -19.3141 43.8569 TIMING: 3190000 CPU: 9260.51, 0.00286052/step Wall: 9260.51, 0.00286052/step, 1.43821 hours remaining, 205.984375 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: 3190000 694.3490 2107.0660 1946.4170 120.9305 -205912.5869 17778.7503 0.0000 0.0000 34319.9321 -148945.1421 299.7245 -183265.0742 -148847.6070 299.7150 51.3648 83.2095 558123.3801 -7.7144 -7.7034 PRESSURE: 3190200 -122.577 35.0865 95.2375 35.0859 -85.234 44.147 95.2362 44.1471 -125.948 GPRESSURE: 3190200 -81.2448 32.1151 10.7037 71.9879 -63.631 55.1562 45.7597 -20.7138 -81.0418 PRESSAVG: 3190200 -2.07745 -24.423 -80.3086 -24.423 -25.2847 -6.37012 -80.3086 -6.37 34.4634 GPRESSAVG: 3190200 -2.96887 -23.1562 -82.0116 -25.9703 -25.0059 -7.12468 -80.8132 -5.31752 35.4891 TIMING: 3190200 CPU: 9261.09, 0.00288036/step Wall: 9261.09, 0.00288036/step, 1.44802 hours remaining, 205.984375 MB of memory in use. ENERGY: 3190200 709.1976 2120.5640 1942.3157 129.9837 -205883.7612 17749.7958 0.0000 0.0000 34328.6981 -148903.2063 299.8011 -183231.9044 -148810.8689 299.9262 -111.2532 -75.3059 558887.9769 2.3671 2.5048 PRESSURE: 3190400 -73.9577 25.6849 -26.8616 25.6855 -71.1685 8.17109 -26.8623 8.16994 -68.9267 GPRESSURE: 3190400 -22.5818 25.8344 -56.1729 73.1967 -67.7371 -65.5733 -11.8379 34.8029 -15.2907 PRESSAVG: 3190400 20.3317 -0.760945 43.0388 -0.760931 -56.3948 -14.1609 43.0388 -14.1609 29.2655 GPRESSAVG: 3190400 20.8032 -2.65724 44.3547 0.118269 -55.1868 -12.5999 39.5841 -15.8855 27.8594 TIMING: 3190400 CPU: 9261.66, 0.00286469/step Wall: 9261.66, 0.00286469/step, 1.43998 hours remaining, 205.984375 MB of memory in use. ENERGY: 3190400 730.9421 2017.7742 1974.0376 108.3140 -206126.4596 17717.7153 0.0000 0.0000 34504.8820 -149072.7944 301.3397 -183577.6764 -148976.1453 300.5251 -71.3510 -35.2032 557948.7839 -2.2659 -2.1747 PRESSURE: 3190600 180.665 104.723 -122.479 104.721 -171.032 2.34593 -122.479 2.3475 83.0824 GPRESSURE: 3190600 283.076 100.786 -57.0872 130.544 -184.774 -14.699 -176.833 6.38933 82.0016 PRESSAVG: 3190600 9.34909 40.7711 -7.12933 40.7711 -14.2542 -2.0954 -7.12926 -2.09533 -30.4363 GPRESSAVG: 3190600 9.29236 42.7745 -7.86766 40.9223 -14.5828 -2.8525 -6.32362 -1.65987 -29.8461 TIMING: 3190600 CPU: 9262.24, 0.0028732/step Wall: 9262.24, 0.0028732/step, 1.4441 hours remaining, 205.984375 MB of memory in use. ENERGY: 3190600 711.0588 2042.6321 1980.9340 127.8071 -206279.4186 17988.4203 0.0000 0.0000 34310.2719 -149118.2944 299.6401 -183428.5664 -149023.5279 300.2861 30.9051 60.1012 557432.7420 -11.7805 -11.7122 PRESSURE: 3190800 -100.659 179.16 86.0956 179.159 49.5635 -89.5869 86.0946 -89.5868 -33.0909 GPRESSURE: 3190800 -127.969 236.609 74.4797 77.8897 129.913 17.025 33.1037 -135.807 -1.53352 PRESSAVG: 3190800 -77.2256 7.98974 -6.87245 7.98977 5.59091 -8.13795 -6.87249 -8.13798 61.1584 GPRESSAVG: 3190800 -77.1056 5.57084 -5.71077 8.88112 4.6449 -6.46851 -7.98629 -9.88615 62.2144 TIMING: 3190800 CPU: 9262.81, 0.00287232/step Wall: 9262.81, 0.00287232/step, 1.4435 hours remaining, 205.984375 MB of memory in use. ENERGY: 3190800 754.7112 2126.0402 1966.3833 107.9789 -206133.6483 17829.5931 0.0000 0.0000 34251.8862 -149097.0554 299.1302 -183348.9416 -149007.3239 299.1913 -28.0622 0.1367 558403.1221 -3.4921 -3.4155 PRESSURE: 3191000 -217.084 9.9301 79.4227 9.92848 -2.42357 35.7433 79.4225 35.7432 2.28403 GPRESSURE: 3191000 -244.048 25.5021 135.65 64.6574 75.9836 109.593 97.4665 19.9428 42.0713 PRESSAVG: 3191000 -32.7151 15.0981 57.6949 15.0979 19.5006 -19.3521 57.6949 -19.3521 46.5852 GPRESSAVG: 3191000 -30.6688 17.2331 56.3259 13.5133 18.8964 -19.9096 60.394 -17.2308 44.7635 TIMING: 3191000 CPU: 9263.4, 0.00291796/step Wall: 9263.4, 0.00291796/step, 1.46628 hours remaining, 205.984375 MB of memory in use. ENERGY: 3191000 753.3738 2158.5284 1984.7584 127.6847 -206292.1843 17697.6499 0.0000 0.0000 34373.9330 -149196.2562 300.1961 -183570.1892 -149110.0734 299.9200 -72.4080 -41.9979 557346.4082 11.1236 10.9970 PRESSURE: 3191200 150.803 193.987 -111.08 193.987 -153.815 -120.756 -111.079 -120.757 271.747 GPRESSURE: 3191200 142.802 193.448 -144.048 161.033 -104.166 -111.634 -121.31 -57.0666 334.621 PRESSAVG: 3191200 -2.89895 8.62232 28.9207 8.62231 -60.8325 39.6322 28.9207 39.6322 66.9399 GPRESSAVG: 3191200 -3.56873 8.82548 29.8327 10.6417 -61.71 38.5379 29.7389 39.7494 68.7427 TIMING: 3191200 CPU: 9263.98, 0.00289858/step Wall: 9263.98, 0.00289858/step, 1.45638 hours remaining, 206.203125 MB of memory in use. ENERGY: 3191200 747.8384 2100.4168 1970.2912 100.3440 -206464.9032 17940.8524 0.0000 0.0000 34293.4328 -149311.7276 299.4931 -183605.1604 -149215.6246 299.1078 89.5783 124.4188 557274.7028 1.0695 1.1546 PRESSURE: 3191400 -223.361 36.4935 -9.0826 36.4928 -238.837 -107.169 -9.08245 -107.167 30.9819 GPRESSURE: 3191400 -199.25 102.806 141.967 28.2257 -184.369 -144.508 11.7525 -79.7348 44.2753 PRESSAVG: 3191400 -31.2426 21.8861 36.7368 21.8861 -32.33 3.59628 36.7368 3.59621 23.9507 GPRESSAVG: 3191400 -32.4667 20.9089 36.448 21.3382 -30.0331 3.88585 36.2725 4.85549 23.1703 TIMING: 3191400 CPU: 9264.56, 0.00289645/step Wall: 9264.56, 0.00289645/step, 1.45515 hours remaining, 206.203125 MB of memory in use. ENERGY: 3191400 753.2929 2146.9235 1991.7239 119.3149 -206271.4116 17641.8337 0.0000 0.0000 34181.1273 -149437.1954 298.5123 -183618.3227 -149332.7494 298.5194 -143.7390 -113.1144 558378.6735 -13.2073 -13.1098 PRESSURE: 3191600 -17.4448 -138.024 -203.32 -138.025 83.1381 58.6677 -203.321 58.6697 -111.674 GPRESSURE: 3191600 -34.5802 -47.4023 -272.5 -133.275 154.314 30.4485 -175.918 27.1367 -68.5858 PRESSAVG: 3191600 -5.25494 26.9903 -32.9922 26.9903 -40.2208 -68.6097 -32.9922 -68.6097 29.0509 GPRESSAVG: 3191600 -4.03896 29.2982 -32.665 25.2731 -41.8455 -68.2266 -34.8653 -70.7211 29.7336 TIMING: 3191600 CPU: 9265.13, 0.00289007/step Wall: 9265.13, 0.00289007/step, 1.45178 hours remaining, 206.203125 MB of memory in use. ENERGY: 3191600 752.5671 2077.4692 1997.8838 120.1352 -206905.8491 18088.5032 0.0000 0.0000 34530.3396 -149338.9510 301.5620 -183869.2906 -149238.1885 299.1083 -15.3268 17.0494 558886.8748 -5.4749 -5.3836 PRESSURE: 3191800 63.6836 101.843 -7.4806 101.843 125.672 6.60709 -7.48088 6.60609 118.355 GPRESSURE: 3191800 100.818 145.608 -19.0544 153.802 116.606 -32.3109 20.9219 22.071 191.836 PRESSAVG: 3191800 -64.1718 16.4408 -18.2958 16.4407 36.4835 26.9117 -18.2958 26.9117 39.3079 GPRESSAVG: 3191800 -65.7895 14.2815 -15.0496 17.7992 36.4744 27.7421 -19.1868 29.4601 40.6052 TIMING: 3191800 CPU: 9265.71, 0.00288264/step Wall: 9265.71, 0.00288264/step, 1.44789 hours remaining, 206.203125 MB of memory in use. ENERGY: 3191800 791.1349 2122.4352 1968.5358 109.7250 -206668.2230 18174.8238 0.0000 0.0000 34197.3399 -149304.2284 298.6539 -183501.5683 -149205.2290 299.5002 102.5703 136.4198 559106.3879 3.8732 3.7633 PRESSURE: 3192000 69.4772 47.0287 -140.09 47.028 -100.663 132.184 -140.089 132.184 7.84413 GPRESSURE: 3192000 40.2936 176.912 -149.77 -43.4378 -26.6239 101.37 -96.2775 146.968 68.2514 PRESSAVG: 3192000 -64.8136 43.9102 -68.0396 43.9102 -16.2107 38.3616 -68.0395 38.3616 92.8534 GPRESSAVG: 3192000 -63.6522 42.0466 -70.673 42.9459 -15.6598 37.8564 -64.8873 36.1903 90.7901 TIMING: 3192000 CPU: 9266.29, 0.00288378/step Wall: 9266.29, 0.00288378/step, 1.4483 hours remaining, 206.203125 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: 3192000 758.2427 2108.1126 1991.0679 112.9584 -206397.2181 17974.1522 0.0000 0.0000 34095.0031 -149357.6812 297.7601 -183452.6843 -149258.0763 298.5225 -7.7805 27.3070 557606.8120 3.9430 3.8261 PRESSURE: 3192200 -85.0458 -30.2312 -6.58635 -30.2295 63.2047 57.6136 -6.58798 57.6135 17.533 GPRESSURE: 3192200 -52.3124 -39.6946 26.668 1.33582 56.7213 49.4792 7.03168 53.9184 87.0531 PRESSAVG: 3192200 -37.1898 45.1162 -19.6246 45.1162 -76.7319 -18.3373 -19.6246 -18.3373 100.673 GPRESSAVG: 3192200 -37.0366 46.6761 -19.7108 45.4938 -75.7927 -20.0901 -20.8058 -16.7143 99.6889 TIMING: 3192200 CPU: 9266.86, 0.00287764/step Wall: 9266.86, 0.00287764/step, 1.44506 hours remaining, 206.203125 MB of memory in use. ENERGY: 3192200 796.6060 2090.0499 1957.4347 112.3216 -206520.0297 17859.6058 0.0000 0.0000 34321.5133 -149382.4985 299.7383 -183704.0118 -149293.4319 299.3419 -1.4360 30.4873 556234.8309 -4.4163 -4.3802 LDB: ============= START OF LOAD BALANCING ============== 9270.33 LDB: ============== END OF LOAD BALANCING =============== 9270.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9270.33 LDB: ============= START OF LOAD BALANCING ============== 9270.62 LDB: Largest compute 4848 load 0.028487 is 24.2% of average load 0.117759 LDB: Average compute 0.001708 is 1.5% of average load 0.117759 LDB: TIME 9270.62 LOAD: AVG 0.117759 MAX 0.179303 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.23 MB LDB: TIME 9270.62 LOAD: AVG 0.117759 MAX 0.179303 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: TIME 9270.62 LOAD: AVG 0.117759 MAX 0.179303 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9270.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9270.63 PRESSURE: 3192400 107.323 37.497 78.6753 37.4961 76.4187 251.157 78.6753 251.159 -34.5422 GPRESSURE: 3192400 135.702 13.2448 78.5708 65.2806 111.542 283.532 42.0209 182.746 10.1677 PRESSAVG: 3192400 -6.60754 34.3208 -30.1114 34.3209 -20.0623 27.9847 -30.1115 27.9848 39.8933 GPRESSAVG: 3192400 -6.82738 34.5752 -28.4841 32.2131 -21.7661 29.628 -33.2212 27.2698 42.5362 TIMING: 3192400 CPU: 9267.46, 0.00296719/step Wall: 9267.46, 0.00296719/step, 1.48986 hours remaining, 205.558594 MB of memory in use. ENERGY: 3192400 729.3290 2106.1125 1966.1072 122.3530 -206371.9453 17853.8402 0.0000 0.0000 34000.4825 -149593.7208 296.9347 -183594.2033 -149498.5849 298.6621 49.7331 85.8041 555756.2710 4.4078 4.6476 PRESSURE: 3192600 32.3519 43.1633 -165.229 43.1637 -37.981 81.9904 -165.23 81.9888 -39.5592 GPRESSURE: 3192600 78.7868 18.1393 -199.877 101.076 -12.3836 155.075 -117.8 -3.86379 -19.3388 PRESSAVG: 3192600 10.2216 62.8721 -31.8056 62.8721 21.9009 -19.913 -31.8058 -19.913 -1.29284 GPRESSAVG: 3192600 10.454 62.0874 -32.2338 65.8685 22.423 -19.8846 -29.4172 -20.8979 -2.2356 TIMING: 3192600 CPU: 9268.04, 0.0028999/step Wall: 9268.04, 0.0028999/step, 1.45591 hours remaining, 205.558594 MB of memory in use. ENERGY: 3192600 757.7593 2054.1936 1965.6863 106.2219 -206474.5156 17884.8528 0.0000 0.0000 34135.9643 -149569.8372 298.1179 -183705.8015 -149472.3263 298.5319 -15.0628 15.6881 556439.0224 10.2765 10.2138 PRESSURE: 3192800 139.522 -17.4563 79.2121 -17.4554 66.5818 78.5953 79.2137 78.5969 -46.2498 GPRESSURE: 3192800 114.799 -86.5499 88.1585 50.0771 131.102 40.5589 90.4926 107.505 9.73911 PRESSAVG: 3192800 13.699 15.0498 47.4706 15.0497 23.3865 -4.59871 47.4706 -4.59869 -0.581123 GPRESSAVG: 3192800 14.1018 15.0361 47.6875 14.6684 22.9371 -4.14191 46.6841 -2.35372 -0.991622 TIMING: 3192800 CPU: 9268.61, 0.00286551/step Wall: 9268.61, 0.00286552/step, 1.43849 hours remaining, 205.558594 MB of memory in use. ENERGY: 3192800 741.3522 2017.3526 1945.0814 105.9295 -206471.4987 17900.3386 0.0000 0.0000 34287.0511 -149474.3934 299.4373 -183761.4444 -149376.9083 297.9750 53.2848 85.2132 556162.2594 12.1681 12.0158 PRESSURE: 3193000 -171.292 243.33 -325.514 243.328 42.7405 84.3437 -325.513 84.3452 -40.5898 GPRESSURE: 3193000 -135.011 167.906 -248.775 290.556 45.6711 61.7065 -433.488 84.648 13.6593 PRESSAVG: 3193000 -5.25196 21.4449 11.8233 21.4449 -7.18842 9.79939 11.8233 9.79961 -14.0994 GPRESSAVG: 3193000 -5.19243 24.431 10.7828 21.3306 -8.24592 9.76787 13.4367 10.9069 -13.0823 TIMING: 3193000 CPU: 9269.19, 0.00289353/step Wall: 9269.19, 0.00289353/step, 1.45239 hours remaining, 205.558594 MB of memory in use. ENERGY: 3193000 818.7307 2073.6068 1958.3118 106.5265 -206749.4899 18020.8627 0.0000 0.0000 34155.0992 -149616.3521 298.2850 -183771.4513 -149524.0095 298.4916 -56.3804 -25.2267 557708.0747 -8.8466 -8.8402 PRESSURE: 3193200 -256.831 20.4585 -64.8944 20.4568 202.036 63.0386 -64.8955 63.0395 10.6435 GPRESSURE: 3193200 -229.992 -0.907415 12.277 22.7402 242.784 125.861 -94.8482 11.4922 33.3265 PRESSAVG: 3193200 -38.0085 23.6657 18.4426 23.6658 30.0223 53.8369 18.4427 53.8369 18.2265 GPRESSAVG: 3193200 -38.0626 22.402 18.9124 23.4052 31.3915 51.9418 17.9518 53.5447 17.1278 TIMING: 3193200 CPU: 9269.77, 0.00292456/step Wall: 9269.77, 0.00292456/step, 1.46781 hours remaining, 205.558594 MB of memory in use. ENERGY: 3193200 695.8984 2056.9426 1969.4979 113.1880 -206420.3437 17733.9322 0.0000 0.0000 34239.7228 -149611.1618 299.0240 -183850.8847 -149519.9994 297.9878 -14.7174 15.3731 557291.8149 3.4134 3.4855 PRESSURE: 3193400 188.268 52.5624 -49.6361 52.5627 -48.0328 -177.801 -49.6374 -177.8 -175.453 GPRESSURE: 3193400 232.241 65.0299 85.1332 56.3375 20.1199 -115.739 -167.823 -189.585 -180.084 PRESSAVG: 3193400 -20.793 4.62181 -29.614 4.62178 30.6081 19.0507 -29.6141 19.0507 -59.464 GPRESSAVG: 3193400 -21.0432 4.78669 -28.8772 5.42401 31.3249 19.45 -30.1608 16.1232 -59.851 TIMING: 3193400 CPU: 9270.35, 0.00291065/step Wall: 9270.35, 0.00291065/step, 1.46066 hours remaining, 205.558594 MB of memory in use. ENERGY: 3193400 715.2447 2034.1471 1966.9786 124.3288 -206523.2801 17930.5874 0.0000 0.0000 34048.8480 -149703.1454 297.3571 -183751.9935 -149609.3096 297.5746 -11.7392 24.0925 557024.6737 -16.5497 -16.5231 PRESSURE: 3193600 405.999 17.2862 -48.7601 17.2853 46.2954 -92.9405 -48.7601 -92.9392 225.328 GPRESSURE: 3193600 409.603 -50.3948 -73.3603 21.8364 83.3518 -152.115 65.3833 -8.03272 265.051 PRESSAVG: 3193600 36.1037 -15.0172 -23.4082 -15.0172 -56.4308 16.3969 -23.4082 16.3968 -2.03619 GPRESSAVG: 3193600 36.6802 -16.0628 -26.7585 -15.3122 -56.113 17.6483 -21.8767 15.6223 -2.0187 TIMING: 3193600 CPU: 9270.94, 0.00291556/step Wall: 9270.94, 0.00291556/step, 1.46296 hours remaining, 205.558594 MB of memory in use. ENERGY: 3193600 721.2106 2097.4857 1959.9170 116.1749 -206759.5491 18136.1787 0.0000 0.0000 33975.2010 -149753.3812 296.7139 -183728.5822 -149656.9494 297.3424 225.8742 252.6685 556301.0755 -7.4544 -7.1505 PRESSURE: 3193800 242.081 31.2525 13.2283 31.2524 99.9302 -134.365 13.2286 -134.364 117.093 GPRESSURE: 3193800 183.552 -32.5908 4.34061 92.0151 141.131 -50.8863 -3.70877 -127.967 236.78 PRESSAVG: 3193800 -0.648822 -8.08011 -41.3464 -8.08018 2.24997 -34.024 -41.3464 -34.0241 -21.9514 GPRESSAVG: 3193800 -2.30887 -6.37604 -41.7344 -7.62048 2.29015 -34.5481 -40.523 -32.6395 -20.6578 TIMING: 3193800 CPU: 9271.52, 0.00293187/step Wall: 9271.52, 0.00293187/step, 1.47098 hours remaining, 205.558594 MB of memory in use. ENERGY: 3193800 732.6083 2050.7677 1991.0777 122.5047 -206958.9477 18182.9699 0.0000 0.0000 34006.0372 -149872.9822 296.9832 -183879.0194 -149780.7441 297.4938 153.0346 187.1540 556219.7155 -6.7834 -6.8922 PRESSURE: 3194000 53.333 -84.5909 5.11111 -84.5923 244.045 24.019 5.11218 24.0207 -140.771 GPRESSURE: 3194000 65.2209 -67.2454 -20.7676 -30.285 259.275 -16.7411 -63.9504 13.0854 -71.5282 PRESSAVG: 3194000 -43.8784 1.01336 -22.0148 1.01327 22.4344 3.73828 -22.0148 3.73829 58.4268 GPRESSAVG: 3194000 -42.8608 1.73383 -20.1478 0.722487 21.9041 3.24657 -23.1437 3.55689 57.4709 TIMING: 3194000 CPU: 9272.11, 0.00292775/step Wall: 9272.11, 0.00292775/step, 1.46875 hours remaining, 205.558594 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: 3194000 711.9635 2098.3018 1963.9371 102.3127 -206675.2193 17874.5182 0.0000 0.0000 34162.4307 -149761.7553 298.3490 -183924.1860 -149670.6477 298.3978 52.2023 84.3227 556093.0960 12.3276 12.1714 PRESSURE: 3194200 227.064 99.4993 -108.836 99.4992 66.1508 -81.7017 -108.837 -81.7017 111.028 GPRESSURE: 3194200 267.428 31.7745 -167.174 156.873 104.97 -85.0062 -72.3064 -110.942 139.074 PRESSAVG: 3194200 7.00844 23.2888 -50.0326 23.2887 10.5701 0.131155 -50.0326 0.131192 -26.0636 GPRESSAVG: 3194200 6.41142 23.9483 -50.2824 20.2268 10.3161 -1.10049 -51.9004 2.20549 -25.3693 TIMING: 3194200 CPU: 9272.69, 0.00290664/step Wall: 9272.69, 0.00290664/step, 1.458 hours remaining, 205.558594 MB of memory in use. ENERGY: 3194200 688.4186 2090.9462 1969.5579 105.6200 -206722.2004 17949.5344 0.0000 0.0000 34219.0247 -149699.0987 298.8433 -183918.1234 -149598.9344 298.4681 134.7477 170.4908 556290.2107 -2.8283 -2.8806 PRESSURE: 3194400 -151.101 47.4376 -23.1225 47.4384 129.45 13.6648 -23.1219 13.665 11.7152 GPRESSURE: 3194400 -104.734 60.9799 -17.487 -4.46632 147.533 31.8753 -5.40107 84.5328 50.7514 PRESSAVG: 3194400 -17.9451 54.8535 -26.3827 54.8535 37.1713 11.7644 -26.3826 11.7644 -17.1247 GPRESSAVG: 3194400 -17.3538 51.14 -25.0967 58.9828 37.454 12.3918 -25.7991 10.1058 -18.1656 TIMING: 3194400 CPU: 9273.27, 0.00289143/step Wall: 9273.27, 0.00289143/step, 1.45021 hours remaining, 205.558594 MB of memory in use. ENERGY: 3194400 781.7878 2058.9355 1935.2414 108.8988 -206861.6515 18125.6871 0.0000 0.0000 34162.8141 -149688.2870 298.3524 -183851.1010 -149587.0455 298.6028 -3.3121 31.1834 555851.0120 0.7005 0.6448 PRESSURE: 3194600 74.7399 -187.004 -28.9831 -187.005 10.7472 -127.528 -28.9825 -127.529 -122.828 GPRESSURE: 3194600 142.421 -230.076 -21.6605 -276.551 44.6619 -145.73 -19.9447 -142.664 -132.966 PRESSAVG: 3194600 35.8128 13.6764 -26.6977 13.6764 -25.268 5.8965 -26.6977 5.89649 -3.05733 GPRESSAVG: 3194600 36.4365 15.5023 -26.3131 11.7234 -26.0083 7.66878 -25.7165 5.31325 -2.6444 TIMING: 3194600 CPU: 9273.85, 0.00290834/step Wall: 9273.85, 0.00290834/step, 1.45853 hours remaining, 205.558594 MB of memory in use. ENERGY: 3194600 756.1731 2085.8821 1977.3290 117.8908 -206692.7233 17836.8380 0.0000 0.0000 34185.2149 -149733.3954 298.5480 -183918.6103 -149634.3611 298.1402 -12.4468 18.0390 556449.3305 2.4958 2.5946 PRESSURE: 3194800 79.5939 -75.6025 24.2431 -75.6033 -100.337 49.3034 24.243 49.304 101.457 GPRESSURE: 3194800 71.8598 -29.327 25.57 -109.238 -66.3562 54.3095 -49.5441 46.5557 166.471 PRESSAVG: 3194800 80.3197 42.785 -24.442 42.785 3.13255 -21.8002 -24.442 -21.8003 6.09807 GPRESSAVG: 3194800 79.7158 44.9509 -25.8157 41.1167 3.70596 -24.5076 -24.2206 -19.0435 6.70335 TIMING: 3194800 CPU: 9274.43, 0.00290182/step Wall: 9274.43, 0.00290182/step, 1.4551 hours remaining, 205.558594 MB of memory in use. ENERGY: 3194800 753.2717 2073.5166 1962.4273 123.4481 -206457.6707 17928.4683 0.0000 0.0000 33904.6078 -149711.9308 296.0974 -183616.5386 -149612.4779 298.5028 26.9047 57.3248 555595.2830 29.8501 30.0417 PRESSURE: 3195000 -102.738 26.3198 -97.0879 26.3197 20.4489 121.702 -97.0883 121.702 -151.273 GPRESSURE: 3195000 -44.7286 36.4919 -201.207 54.5865 15.6939 195.693 -110.697 137.907 -97.2696 PRESSAVG: 3195000 -21.4937 -6.06985 -49.111 -6.0698 42.8561 52.0819 -49.111 52.0818 -71.9016 GPRESSAVG: 3195000 -21.7959 -8.35693 -49.4188 -4.25436 43.2708 54.0421 -49.405 48.9523 -71.7775 TIMING: 3195000 CPU: 9275.01, 0.00288491/step Wall: 9275.01, 0.00288491/step, 1.44646 hours remaining, 205.558594 MB of memory in use. ENERGY: 3195000 766.4024 2110.5050 1980.1703 102.6464 -206715.9525 17915.5566 0.0000 0.0000 34313.8687 -149526.8030 299.6715 -183840.6717 -149437.2603 297.6116 -77.8539 -42.1014 557242.8172 -16.8464 -16.7675 PRESSURE: 3195200 -0.337012 -49.4645 -154.634 -49.4643 78.921 202.106 -154.634 202.106 -238.416 GPRESSURE: 3195200 76.4422 -202.432 -227.132 4.75359 56.9107 178.271 -118.996 186.303 -181.166 PRESSAVG: 3195200 -18.0909 -11.5708 -1.87969 -11.5708 -25.6073 23.4028 -1.87971 23.4029 28.9879 GPRESSAVG: 3195200 -16.3066 -12.9742 -3.67871 -9.93352 -25.9782 25.251 -1.78949 22.7782 27.3811 TIMING: 3195200 CPU: 9275.59, 0.00289268/step Wall: 9275.59, 0.00289268/step, 1.4502 hours remaining, 205.558594 MB of memory in use. ENERGY: 3195200 705.8425 2137.8564 1962.7192 101.7404 -206473.1077 17827.4256 0.0000 0.0000 34294.0252 -149443.4982 299.4983 -183737.5235 -149351.6801 298.7909 -53.2773 -15.9378 558298.5942 -4.9034 -4.9679 PRESSURE: 3195400 10.9172 83.3563 -33.3686 83.3558 83.6682 79.0107 -33.3702 79.0104 132.916 GPRESSURE: 3195400 22.3505 61.4876 -17.6637 159.568 85.4196 129.662 -33.9303 23.0675 195.667 PRESSAVG: 3195400 4.86109 -39.4484 -17.8643 -39.4485 36.0276 24.7745 -17.8644 24.7745 17.547 GPRESSAVG: 3195400 2.30754 -36.0819 -16.3702 -42.5374 37.1289 22.3224 -18.935 26.2703 19.2839 TIMING: 3195400 CPU: 9276.16, 0.00288471/step Wall: 9276.16, 0.00288471/step, 1.44604 hours remaining, 205.558594 MB of memory in use. ENERGY: 3195400 752.8630 2067.1978 1974.1361 114.4204 -206509.9118 17989.2638 0.0000 0.0000 34192.0227 -149420.0081 298.6074 -183612.0308 -149324.4260 298.4516 75.8339 101.1457 558092.3506 19.4785 19.5734 PRESSURE: 3195600 -33.144 -86.7202 -108.922 -86.7212 54.222 -23.8237 -108.922 -23.8213 100.399 GPRESSURE: 3195600 12.2557 -77.0483 -90.6928 -31.1423 67.4445 -86.3651 -107.924 12.8243 137.852 PRESSAVG: 3195600 -66.0151 -39.8923 -38.2646 -39.8923 44.9715 33.8018 -38.2646 33.8018 46.4731 GPRESSAVG: 3195600 -65.057 -43.6242 -39.0746 -37.3627 43.873 32.8177 -37.3473 32.2301 46.4944 TIMING: 3195600 CPU: 9276.74, 0.00289958/step Wall: 9276.74, 0.00289958/step, 1.45333 hours remaining, 205.621094 MB of memory in use. ENERGY: 3195600 752.3249 2162.6764 1978.1942 121.7822 -206476.8845 17959.7956 0.0000 0.0000 34218.5689 -149283.5422 298.8393 -183502.1111 -149186.9004 299.2406 40.4923 72.5173 557168.1800 8.4765 8.4368 PRESSURE: 3195800 91.4085 63.9046 -99.8721 63.9069 336.791 33.652 -99.8714 33.6537 406.767 GPRESSURE: 3195800 165.442 30.3127 -85.1096 15.9987 343.891 -10.6238 -101.193 81.6129 439.013 PRESSAVG: 3195800 -21.9692 -2.56841 -7.86093 -2.56835 18.8131 44.0695 -7.86082 44.0695 13.6435 GPRESSAVG: 3195800 -21.7982 -0.886973 -7.37661 -3.96233 19.2232 45.476 -7.83047 45.3323 12.8413 TIMING: 3195800 CPU: 9277.32, 0.00289667/step Wall: 9277.32, 0.00289667/step, 1.45172 hours remaining, 205.621094 MB of memory in use. ENERGY: 3195800 688.2182 2103.4284 1942.8312 122.2055 -206788.2987 18259.8291 0.0000 0.0000 34349.0720 -149322.7143 299.9790 -183671.7863 -149227.3124 299.0881 278.3223 316.1153 557155.8217 3.4958 3.4221 PRESSURE: 3196000 -86.9177 195.779 65.4446 195.778 -203.864 -19.367 65.4435 -19.3682 -108.618 GPRESSURE: 3196000 -71.6436 152.647 34.4111 235.72 -102.078 -36.8225 100.92 -35.5752 -131.056 PRESSAVG: 3196000 -18.0883 32.6954 28.0242 32.6953 -9.20394 -3.27634 28.0241 -3.27643 5.85967 GPRESSAVG: 3196000 -18.0511 34.182 27.6426 32.3897 -9.87692 -1.63635 29.0744 -4.53811 6.42976 TIMING: 3196000 CPU: 9277.9, 0.00290048/step Wall: 9277.9, 0.00290048/step, 1.45346 hours remaining, 205.621094 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: 3196000 754.5541 2137.6168 1973.2516 130.5077 -206156.6115 17792.7357 0.0000 0.0000 34323.2610 -149044.6845 299.7536 -183367.9455 -148945.1452 298.7770 -133.1333 -101.5925 558655.7549 -7.1442 -7.1661 PRESSURE: 3196200 48.4063 140.682 -104.646 140.682 125.944 -4.8091 -104.646 -4.80802 -213.301 GPRESSURE: 3196200 151.817 53.2464 -213.285 250.697 122.456 -7.73094 -22.8278 2.53731 -221.592 PRESSAVG: 3196200 31.0998 49.6109 13.2435 49.611 -84.8968 -6.43227 13.2435 -6.43234 13.3436 GPRESSAVG: 3196200 31.6607 49.855 12.1465 49.4991 -84.3577 -8.70802 14.2007 -2.78559 12.1501 TIMING: 3196200 CPU: 9278.48, 0.00289878/step Wall: 9278.48, 0.00289878/step, 1.45245 hours remaining, 205.621094 MB of memory in use. ENERGY: 3196200 784.5714 2171.8501 1949.0273 110.5335 -205807.1149 17756.7050 0.0000 0.0000 34162.8191 -148871.6084 298.3524 -183034.4275 -148775.5921 300.0982 -12.9838 17.5605 558407.2499 -13.4845 -13.5156 LDB: ============= START OF LOAD BALANCING ============== 9281.95 LDB: ============== END OF LOAD BALANCING =============== 9281.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9281.95 LDB: ============= START OF LOAD BALANCING ============== 9282.24 LDB: Largest compute 4848 load 0.028774 is 24.4% of average load 0.117870 LDB: Average compute 0.001722 is 1.5% of average load 0.117870 LDB: TIME 9282.24 LOAD: AVG 0.11787 MAX 0.17838 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 9282.24 LOAD: AVG 0.11787 MAX 0.17838 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.52 MB LDB: TIME 9282.24 LOAD: AVG 0.11787 MAX 0.17838 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.52 MB LDB: ============== END OF LOAD BALANCING =============== 9282.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9282.25 PRESSURE: 3196400 141.255 7.18938 -90.5555 7.19099 -236.881 145.555 -90.5552 145.556 -135.253 GPRESSURE: 3196400 134.056 -27.461 -40.1298 -8.11686 -211.761 126.695 -77.6702 189.448 -51.4513 PRESSAVG: 3196400 23.8757 9.73432 -17.6782 9.73442 -26.3672 14.5502 -17.6782 14.5502 -37.1506 GPRESSAVG: 3196400 23.07 8.69313 -17.0398 8.68624 -26.0546 14.1557 -17.7945 12.994 -36.5643 TIMING: 3196400 CPU: 9279.07, 0.00294757/step Wall: 9279.07, 0.00294757/step, 1.47673 hours remaining, 205.890625 MB of memory in use. ENERGY: 3196400 783.0187 2166.9150 1954.6221 114.0953 -206158.2018 17897.3812 0.0000 0.0000 34379.9532 -148862.2163 300.2487 -183242.1694 -148769.3794 299.6493 -76.9596 -43.0523 557519.5098 -13.2141 -13.1830 PRESSURE: 3196600 -121.966 67.743 -39.8547 67.7416 -170.744 -59.3349 -39.8558 -59.336 -162.801 GPRESSURE: 3196600 -63.0525 -81.3204 -153.483 174.605 -119.249 -49.5783 96.9765 -73.4685 -185.167 PRESSAVG: 3196600 47.1128 18.0389 -25.685 18.0389 -64.0836 9.48329 -25.685 9.48329 -11.976 GPRESSAVG: 3196600 46.674 17.7711 -25.4515 19.3359 -63.6236 8.8043 -27.2017 8.43159 -12.8477 TIMING: 3196600 CPU: 9279.65, 0.00290013/step Wall: 9279.65, 0.00290013/step, 1.45281 hours remaining, 205.890625 MB of memory in use. ENERGY: 3196600 760.0804 2110.7290 1974.8658 116.5022 -205607.9393 17544.7553 0.0000 0.0000 34437.9365 -148663.0700 300.7551 -183101.0065 -148562.8600 300.2965 -151.8371 -122.4893 558878.8742 -9.6489 -9.9324 PRESSURE: 3196800 63.0245 179.745 -74.5285 179.745 130.899 102.294 -74.5293 102.292 158.539 GPRESSURE: 3196800 132.312 159.859 -110.435 202.214 158.188 0.757142 -91.4278 113.439 153.725 PRESSAVG: 3196800 20.322 60.4569 -5.77054 60.4568 22.2714 34.584 -5.77055 34.584 -35.0409 GPRESSAVG: 3196800 20.8769 61.9909 -6.23695 60.1433 20.783 34.7281 -4.92253 35.2106 -33.9911 TIMING: 3196800 CPU: 9280.23, 0.00289977/step Wall: 9280.23, 0.00289977/step, 1.45246 hours remaining, 205.890625 MB of memory in use. ENERGY: 3196800 721.7451 2128.9676 1970.9592 123.2459 -206062.7902 17890.7560 0.0000 0.0000 34574.7539 -148652.3626 301.9499 -183227.1165 -148557.6938 300.5031 117.4874 148.0748 557809.9879 2.5175 2.5563 PRESSURE: 3197000 57.9031 91.1398 -17.6796 91.1399 -33.2783 -108.035 -17.6802 -108.036 -37.0507 GPRESSURE: 3197000 68.0474 15.8922 -43.4052 100.827 40.7097 -127.258 -39.3871 -48.4552 -21.8798 PRESSAVG: 3197000 -28.4988 2.77727 -9.32515 2.77737 10.4204 55.0603 -9.32523 55.0602 23.923 GPRESSAVG: 3197000 -27.7694 3.54956 -9.0677 1.99503 10.1112 57.2491 -10.6257 54.0367 23.4362 TIMING: 3197000 CPU: 9280.81, 0.00289835/step Wall: 9280.81, 0.00289835/step, 1.45159 hours remaining, 205.890625 MB of memory in use. ENERGY: 3197000 738.1083 2082.8382 1959.4923 121.1390 -206131.4183 17830.0250 0.0000 0.0000 34477.7038 -148922.1118 301.1024 -183399.8156 -148822.6091 299.3151 -4.1420 28.9591 558039.3055 1.9482 1.9260 PRESSURE: 3197200 57.4421 59.0978 59.3635 59.0977 -81.529 -5.84319 59.3643 -5.8445 -145.424 GPRESSURE: 3197200 83.4599 110.784 22.6639 -83.88 -32.9497 -18.419 109.89 53.9236 -111.41 PRESSAVG: 3197200 30.9386 -25.0745 -38.1285 -25.0746 1.58552 -12.5015 -38.1285 -12.5015 4.39116 GPRESSAVG: 3197200 29.6208 -25.2781 -37.3176 -24.3619 2.90545 -15.2207 -36.8233 -10.3545 4.48082 TIMING: 3197200 CPU: 9281.39, 0.00289277/step Wall: 9281.39, 0.00289277/step, 1.44864 hours remaining, 205.890625 MB of memory in use. ENERGY: 3197200 791.0546 2096.4115 1958.7930 104.9407 -205947.3822 17863.0250 0.0000 0.0000 34165.4728 -148967.6847 298.3756 -183133.1575 -148861.9812 299.6085 -56.5037 -20.2998 559588.5219 12.3051 12.3357 PRESSURE: 3197400 -56.4442 69.0606 -169.252 69.0599 -68.0514 -59.4574 -169.253 -59.4575 -117.538 GPRESSURE: 3197400 74.1841 -0.798867 -225.462 83.8123 -45.0023 3.63443 -150.052 -39.448 -171.686 PRESSAVG: 3197400 -3.6595 1.38345 -29.5204 1.38342 77.0974 -17.9752 -29.5204 -17.9752 -52.6869 GPRESSAVG: 3197400 -4.26186 2.47489 -32.3095 0.315131 77.2236 -15.6334 -31.1134 -19.0398 -52.3755 TIMING: 3197400 CPU: 9281.97, 0.00292234/step Wall: 9281.97, 0.00292234/step, 1.46328 hours remaining, 205.890625 MB of memory in use. ENERGY: 3197400 767.2506 2052.2624 1978.2098 118.8469 -206075.6759 17868.7705 0.0000 0.0000 34198.5427 -149091.7932 298.6644 -183290.3359 -149001.8556 299.9797 -80.6778 -47.5014 559448.8200 6.9170 6.8621 PRESSURE: 3197600 -46.1837 51.8364 147.141 51.8366 -59.7836 86.2489 147.142 86.248 -19.6945 GPRESSURE: 3197600 -21.323 59.6863 242.756 83.166 -18.9296 92.0936 97.864 113.56 12.1675 PRESSAVG: 3197600 22.8171 -22.1868 27.6103 -22.1869 -2.09376 15.2999 27.6103 15.2999 -57.4451 GPRESSAVG: 3197600 21.9005 -24.8732 29.5552 -21.2151 -2.35035 14.0825 27.8686 13.8006 -56.8208 TIMING: 3197600 CPU: 9282.55, 0.00288362/step Wall: 9282.55, 0.00288362/step, 1.44373 hours remaining, 205.890625 MB of memory in use. ENERGY: 3197600 739.0765 2126.5898 1957.7533 116.6213 -206375.4532 17935.4997 0.0000 0.0000 34475.9825 -149023.9302 301.0873 -183499.9126 -148927.4608 299.3433 -41.8872 -9.3617 559056.8446 -12.2406 -12.4235 PRESSURE: 3197800 76.7404 161.414 184.006 161.414 -217.089 -78.8649 184.006 -78.8639 324.733 GPRESSURE: 3197800 149.105 155.81 174.053 115.882 -176.128 -9.33591 192.117 -66.0843 313.612 PRESSAVG: 3197800 -53.1639 6.17707 41.8176 6.17703 44.0653 7.79313 41.8176 7.7932 -34.9171 GPRESSAVG: 3197800 -52.3537 6.42651 40.3084 6.57146 45.4122 9.5667 43.6393 7.96935 -36.9482 TIMING: 3197800 CPU: 9283.13, 0.00289024/step Wall: 9283.13, 0.00289024/step, 1.44688 hours remaining, 205.890625 MB of memory in use. ENERGY: 3197800 751.8523 2074.5239 1953.2176 110.8560 -206395.3244 18027.3361 0.0000 0.0000 34539.0769 -148938.4616 301.6383 -183477.5385 -148850.6140 300.2329 61.4615 95.5296 557558.6160 -14.6719 -14.6299 PRESSURE: 3198000 195.566 -35.1856 20.7249 -35.1866 265.343 -173.588 20.7233 -173.59 123.289 GPRESSURE: 3198000 207.667 -11.5381 30.2849 2.80955 307.066 -182.412 25.311 -292.823 145.828 PRESSAVG: 3198000 30.5343 74.3223 -7.74925 74.3223 -94.6608 -43.9976 -7.74909 -43.9976 59.1455 GPRESSAVG: 3198000 30.0045 73.8132 -8.25453 74.4841 -95.7998 -46.5281 -7.51365 -45.2017 60.6678 TIMING: 3198000 CPU: 9283.71, 0.00290585/step Wall: 9283.71, 0.00290585/step, 1.45454 hours remaining, 205.890625 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: 3198000 771.3789 2050.8547 1987.6766 105.7368 -206143.6809 17985.5681 0.0000 0.0000 34319.4954 -148922.9703 299.7207 -183242.4657 -148828.8356 300.0264 194.7326 220.1868 557672.9335 -1.6603 -1.7092 PRESSURE: 3198200 -391.023 -241.603 27.3719 -241.603 -39.2779 -138.418 27.3721 -138.419 -298.464 GPRESSURE: 3198200 -389.872 -189.27 17.6972 -284.995 -32.7503 -187.718 -12.109 -99.9639 -209.417 PRESSAVG: 3198200 72.2631 -10.991 69.2732 -10.9911 -39.3457 27.4709 69.2732 27.471 -11.579 GPRESSAVG: 3198200 72.9025 -12.288 68.4046 -11.4645 -39.0861 27.6844 68.2588 30.9011 -13.0989 TIMING: 3198200 CPU: 9284.29, 0.00290604/step Wall: 9284.29, 0.00290604/step, 1.45447 hours remaining, 205.890625 MB of memory in use. ENERGY: 3198200 752.6493 2094.3846 1992.8158 117.6511 -205498.2652 17286.3014 0.0000 0.0000 34304.1464 -148950.3164 299.5866 -183254.4629 -148850.8575 299.5579 -242.9219 -210.6797 557550.6340 7.1128 6.9059 PRESSURE: 3198400 -39.7978 -7.63824 63.1648 -7.63749 -226.62 111.045 63.1636 111.045 2.06077 GPRESSURE: 3198400 47.6585 -48.9693 2.8544 -83.9835 -141.69 99.1535 100.16 103.533 -61.2865 PRESSAVG: 3198400 -12.7509 -21.8144 19.6281 -21.8144 -61.9085 -9.35466 19.6281 -9.35473 77.6705 GPRESSAVG: 3198400 -11.1384 -19.8598 20.7263 -23.8382 -62.5841 -7.79345 19.8695 -11.5778 77.0105 TIMING: 3198400 CPU: 9284.87, 0.00288657/step Wall: 9284.87, 0.00288657/step, 1.44457 hours remaining, 205.890625 MB of memory in use. ENERGY: 3198400 736.2960 2076.1806 1950.2898 106.3838 -206270.6281 17780.2715 0.0000 0.0000 34461.9594 -149159.2469 300.9649 -183621.2063 -149059.2158 299.7137 -88.1191 -51.7728 556684.7374 1.0037 1.0960 PRESSURE: 3198600 125.164 -88.959 172.578 -88.9579 -32.1954 -70.44 172.579 -70.4385 -65.2631 GPRESSURE: 3198600 114.103 -116.101 202.799 -67.6306 -20.5543 -90.7405 153.67 -30.9573 15.8266 PRESSAVG: 3198600 31.4372 -8.229 21.3648 -8.22899 2.51168 52.8332 21.3648 52.8332 -11.9499 GPRESSAVG: 3198600 28.9761 -10.7529 21.1421 -3.27368 3.25673 51.7981 21.4982 51.7805 -10.5598 TIMING: 3198600 CPU: 9285.45, 0.00288061/step Wall: 9285.45, 0.00288061/step, 1.44143 hours remaining, 205.890625 MB of memory in use. ENERGY: 3198600 738.0641 2085.2412 1956.8384 122.8799 -205895.8718 17854.3281 0.0000 0.0000 34013.1412 -149125.3789 297.0452 -183138.5202 -149029.9479 299.3142 9.2352 36.4583 557482.9465 7.3330 7.2243 PRESSURE: 3198800 109.71 -5.8652 -35.2808 -5.86447 115.416 58.5688 -35.2795 58.5677 -113.828 GPRESSURE: 3198800 97.5792 -72.5211 10.5145 -23.9096 140.59 2.80563 -69.6241 39.5635 -39.3174 PRESSAVG: 3198800 48.678 -47.579 -10.2437 -47.579 -15.4784 -0.488675 -10.2437 -0.488728 -30.8861 GPRESSAVG: 3198800 48.6612 -44.8961 -10.0244 -47.9391 -15.6786 -0.372572 -9.60491 1.28896 -31.5266 TIMING: 3198800 CPU: 9286.03, 0.0029043/step Wall: 9286.03, 0.0029043/step, 1.45312 hours remaining, 205.890625 MB of memory in use. ENERGY: 3198800 717.7249 2105.8469 1972.9982 132.2055 -206273.1524 17899.7393 0.0000 0.0000 34213.6644 -149230.9732 298.7964 -183444.6376 -149138.1096 298.1579 37.0995 66.2840 556889.3823 0.7712 0.4853 PRESSURE: 3199000 126.404 26.704 -168.442 26.7054 50.0174 -126.129 -168.441 -126.128 -14.9931 GPRESSURE: 3199000 105.889 73.7405 -151.346 23.7913 59.7077 -118.488 -148.024 -95.7306 105.253 PRESSAVG: 3199000 78.3784 2.01882 -16.3285 2.01881 -45.9792 7.90924 -16.3285 7.90917 -13.2135 GPRESSAVG: 3199000 78.346 3.34066 -14.7892 -4.12169 -46.6747 6.91854 -17.6956 9.24143 -11.7707 TIMING: 3199000 CPU: 9286.61, 0.00291221/step Wall: 9286.61, 0.00291221/step, 1.45691 hours remaining, 205.890625 MB of memory in use. ENERGY: 3199000 735.2168 2119.5181 1969.1110 111.9351 -206133.9749 17880.4206 0.0000 0.0000 34167.1420 -149150.6312 298.3901 -183317.7732 -149051.3915 299.1168 53.8095 90.2832 558134.2513 6.3953 6.6335 PRESSURE: 3199200 42.5308 -104.306 23.6386 -104.306 -186.11 -134.657 23.6378 -134.66 51.4105 GPRESSURE: 3199200 65.9929 -185.247 23.5756 -10.4304 -195.678 -211.392 -54.5381 -30.8561 116.72 PRESSAVG: 3199200 55.432 -76.7578 -20.2028 -76.7578 -25.5566 -26.7993 -20.2028 -26.7992 -17.1085 GPRESSAVG: 3199200 56.4083 -79.7927 -21.06 -73.0649 -24.9603 -27.0372 -19.2338 -27.2966 -18.5596 TIMING: 3199200 CPU: 9287.19, 0.00290149/step Wall: 9287.19, 0.00290149/step, 1.45139 hours remaining, 205.890625 MB of memory in use. ENERGY: 3199200 763.4938 2117.4310 1970.0890 112.8583 -206395.6545 18026.9550 0.0000 0.0000 34311.3510 -149093.4765 299.6496 -183404.8275 -148994.6301 299.6515 -30.7229 -4.3217 558902.1019 4.2557 4.2961 PRESSURE: 3199400 -80.6206 -57.5703 131.902 -57.5707 -25.3448 -84.2948 131.901 -84.2953 -5.21561 GPRESSURE: 3199400 -73.3592 -125.876 170.148 34.6872 18.4039 -113.171 80.2534 -80.1403 53.5952 PRESSAVG: 3199400 0.531355 -8.92606 -51.039 -8.92606 -22.6763 -53.7561 -51.039 -53.7562 19.7971 GPRESSAVG: 3199400 0.547975 -8.31439 -51.3928 -7.31423 -23.1621 -53.1693 -50.6481 -54.1073 20.2559 TIMING: 3199400 CPU: 9287.77, 0.00289527/step Wall: 9287.77, 0.00289527/step, 1.44812 hours remaining, 205.890625 MB of memory in use. ENERGY: 3199400 758.2985 2039.3270 1957.4322 112.7562 -205822.0604 17758.5619 0.0000 0.0000 34217.5028 -148978.1818 298.8300 -183195.6846 -148878.0810 299.9048 -37.0604 -0.4534 560021.1549 -0.7826 -0.7861 PRESSURE: 3199600 20.2224 133.027 -18.3524 133.027 -44.1233 -3.28531 -18.3511 -3.28535 175.852 GPRESSURE: 3199600 26.3044 63.1141 1.86735 157.154 -39.86 -22.5962 -88.2294 3.89446 259.401 PRESSAVG: 3199600 -84.9969 -48.5783 -11.9885 -48.5782 45.563 -11.8854 -11.9886 -11.8854 65.6146 GPRESSAVG: 3199600 -85.9385 -49.0596 -11.8692 -50.4947 46.8204 -10.7792 -12.5661 -14.3314 64.9037 TIMING: 3199600 CPU: 9288.35, 0.00289655/step Wall: 9288.35, 0.00289655/step, 1.4486 hours remaining, 205.890625 MB of memory in use. ENERGY: 3199600 719.8716 2125.4726 1958.4361 102.0931 -206182.8569 17898.1503 0.0000 0.0000 34387.7712 -148991.0620 300.3170 -183378.8332 -148891.8832 299.9365 50.6503 81.9485 558938.6038 8.7269 8.5952 PRESSURE: 3199800 -39.9497 77.9564 100.811 77.9561 -19.2508 35.3165 100.811 35.3162 -235.883 GPRESSURE: 3199800 14.4169 95.3574 89.0904 6.58111 8.45463 31.2789 96.8138 85.1534 -211.802 PRESSAVG: 3199800 -59.0952 -15.6293 33.1195 -15.6293 55.708 35.4474 33.1194 35.4474 -18.9983 GPRESSAVG: 3199800 -56.7479 -16.8274 31.7639 -14.2455 53.7548 34.1626 34.6368 38.4006 -18.9989 TIMING: 3199800 CPU: 9288.93, 0.0029132/step Wall: 9288.93, 0.0029132/step, 1.45676 hours remaining, 205.890625 MB of memory in use. ENERGY: 3199800 733.2031 2076.8391 1928.5246 110.0616 -206173.9443 17901.3889 0.0000 0.0000 34550.4954 -148873.4317 301.7381 -183423.9271 -148778.6600 299.6466 -98.3612 -62.9769 559646.7451 -7.4618 -7.3307 WRITING COORDINATES TO DCD FILE MD.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: 3200000 -203.191 49.6488 34.952 49.649 16.0523 -28.8712 34.9527 -28.8721 -154.454 GPRESSURE: 3200000 -218.37 97.4859 70.7087 -22.0318 108.656 -56.2185 27.0456 -51.3769 -140.959 PRESSAVG: 3200000 -35.1088 31.7031 55.1423 31.703 31.571 28.5639 55.1423 28.5639 -15.7465 GPRESSAVG: 3200000 -35.3923 33.1984 54.2361 30.002 32.3036 29.1424 55.3513 27.4337 -15.8074 TIMING: 3200000 CPU: 9289.53, 0.0029892/step Wall: 9289.53, 0.0029892/step, 1.4946 hours remaining, 206.015625 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: 3200000 754.5924 2070.2405 1958.1581 111.2650 -205861.9740 17661.4327 0.0000 0.0000 34316.4544 -148989.8310 299.6941 -183306.2853 -148889.4158 299.5088 -113.8645 -83.5579 559006.9194 -6.4281 -6.2987 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 PRESSURE: 3200200 -143.053 -136.408 73.1704 -136.409 156.715 -33.1854 73.1707 -33.186 -180.011 GPRESSURE: 3200200 -46.129 -140.751 92.0825 -72.3501 154.413 -51.955 65.1189 -83.5077 -169.64 PRESSAVG: 3200200 -57.3771 34.4213 38.7832 34.4213 43.7974 -14.8684 38.7832 -14.8684 43.6178 GPRESSAVG: 3200200 -58.6759 35.6056 40.1803 34.3767 44.9581 -14.4995 37.0997 -15.6502 44.156 TIMING: 3200200 CPU: 9290.11, 0.00291442/step Wall: 9290.11, 0.00291442/step, 1.45705 hours remaining, 206.015625 MB of memory in use. ENERGY: 3200200 729.1160 2068.9836 1955.9961 111.0699 -205441.2061 17491.1992 0.0000 0.0000 34245.8612 -148838.9799 299.0776 -183084.8411 -148754.6726 299.7029 -55.4499 -20.4518 558340.7988 10.0127 10.1461 LDB: ============= START OF LOAD BALANCING ============== 9293.58 LDB: ============== END OF LOAD BALANCING =============== 9293.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9293.58 LDB: ============= START OF LOAD BALANCING ============== 9293.88 LDB: Largest compute 4819 load 0.027740 is 23.6% of average load 0.117747 LDB: Average compute 0.001717 is 1.5% of average load 0.117747 LDB: TIME 9293.88 LOAD: AVG 0.117747 MAX 0.178374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.395 MB LDB: TIME 9293.88 LOAD: AVG 0.117747 MAX 0.178374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.492 MB LDB: TIME 9293.88 LOAD: AVG 0.117747 MAX 0.178374 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.492 MB LDB: ============== END OF LOAD BALANCING =============== 9293.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9293.88 PRESSURE: 3200400 23.2181 -26.6121 107.77 -26.6126 391.172 35.1745 107.769 35.1746 176.343 GPRESSURE: 3200400 32.773 -19.9685 172.101 -28.969 393.36 -2.76818 96.7499 22.8553 266.531 PRESSAVG: 3200400 13.5815 -3.07986 61.0021 -3.07979 -60.0644 -0.924288 61.0021 -0.924296 39.4845 GPRESSAVG: 3200400 14.945 -4.05668 60.1955 -3.02716 -59.6169 -0.0957568 62.6787 -1.25298 39.2313 TIMING: 3200400 CPU: 9290.71, 0.00299494/step Wall: 9290.71, 0.00299494/step, 1.49714 hours remaining, 207.425781 MB of memory in use. ENERGY: 3200400 738.5233 2070.8186 1996.0419 111.4610 -206186.3771 18121.7192 0.0000 0.0000 34395.8966 -148751.9166 300.3879 -183147.8132 -148664.8325 299.8362 196.9108 230.8881 559803.7481 -2.3328 -1.8135 PRESSURE: 3200600 16.709 30.2405 35.5098 30.2399 65.0869 -112.517 35.5089 -112.517 -44.7532 GPRESSURE: 3200600 86.8951 101.974 56.4888 -5.65959 112.888 -129.317 -1.71114 -120.989 -62.6258 PRESSAVG: 3200600 23.0838 -10.3565 12.6644 -10.3565 -55.5733 6.00467 12.6644 6.00458 46.2753 GPRESSAVG: 3200600 21.5314 -10.63 13.039 -10.6244 -55.3125 3.00994 11.6327 7.99757 47.5164 TIMING: 3200600 CPU: 9291.29, 0.00290875/step Wall: 9291.29, 0.00290875/step, 1.45389 hours remaining, 207.886719 MB of memory in use. ENERGY: 3200600 761.9376 2068.2225 1963.1070 108.0656 -205867.2752 17798.5521 0.0000 0.0000 34186.4439 -148980.9465 298.5587 -183167.3904 -148884.1963 299.3256 12.3476 45.7192 559197.7386 4.5952 4.5785 PRESSURE: 3200800 -332.451 -17.7975 67.3081 -17.7974 -290.401 228.829 67.3083 228.828 -470.801 GPRESSURE: 3200800 -303.285 -44.1001 53.1122 18.6341 -274.668 186.439 143.707 223.12 -410.811 PRESSAVG: 3200800 -71.3349 19.3347 53.9423 19.3348 -1.02804 43.3289 53.9425 43.3289 30.5979 GPRESSAVG: 3200800 -70.3928 20.789 53.7467 19.713 -0.708483 44.9962 54.8377 42.0496 29.704 TIMING: 3200800 CPU: 9291.87, 0.0028866/step Wall: 9291.87, 0.0028866/step, 1.44266 hours remaining, 207.886719 MB of memory in use. ENERGY: 3200800 746.8346 2117.2702 1966.5477 121.3182 -205909.1370 17435.0847 0.0000 0.0000 34417.3422 -149104.7394 300.5752 -183522.0816 -149009.5133 299.1280 -364.5512 -329.5882 560003.0986 -13.9217 -13.7991 PRESSURE: 3201000 16.2117 -25.3612 27.9849 -25.3601 65.7283 -98.7484 27.9846 -98.7462 40.0492 GPRESSURE: 3201000 44.9736 49.8324 19.281 29.1992 67.3241 -38.7083 -20.7033 -88.7612 95.9612 PRESSAVG: 3201000 -44.3982 73.5692 10.1607 73.5692 -36.8041 -24.0543 10.1608 -24.0543 49.3395 GPRESSAVG: 3201000 -45.4688 73.1613 11.7885 74.8208 -35.8601 -23.8383 9.14982 -24.3141 49.4407 TIMING: 3201000 CPU: 9292.44, 0.00286054/step Wall: 9292.44, 0.00286054/step, 1.42948 hours remaining, 207.886719 MB of memory in use. ENERGY: 3201000 729.7520 2129.1870 1953.2202 108.9022 -206183.7641 18027.3812 0.0000 0.0000 34087.4129 -149147.9085 297.6939 -183235.3214 -149046.4543 299.3463 40.6631 69.4197 559603.4163 -10.6209 -10.6294 PRESSURE: 3201200 -130.44 157.866 73.0752 157.867 -345.256 -43.2829 73.0739 -43.2828 -258.643 GPRESSURE: 3201200 -21.4594 177.345 14.4952 160.349 -356.893 -12.9075 14.6327 -150.372 -268.065 PRESSAVG: 3201200 106.903 17.0364 56.4191 17.0364 -41.7296 -21.6584 56.4193 -21.6585 -83.1995 GPRESSAVG: 3201200 107.79 15.8601 56.6198 15.4972 -42.9228 -21.9892 56.5555 -20.9489 -82.1389 TIMING: 3201200 CPU: 9293.02, 0.00287528/step Wall: 9293.02, 0.00287528/step, 1.43668 hours remaining, 207.886719 MB of memory in use. ENERGY: 3201200 741.4169 2097.5708 1956.7915 123.4362 -205797.8936 17472.7474 0.0000 0.0000 34165.1924 -149240.7384 298.3731 -183405.9308 -149139.1832 298.6453 -244.7794 -215.4725 558033.9481 -6.0088 -5.7573 PRESSURE: 3201400 -78.082 -56.2837 -65.1803 -56.2842 -236.504 24.7753 -65.1804 24.7758 -156.666 GPRESSURE: 3201400 -46.1846 -117.658 -35.3221 7.08732 -238.678 -37.4361 -124.694 102.396 -91.8967 PRESSAVG: 3201400 89.3999 2.80262 -6.1707 2.80258 -34.6358 14.4763 -6.17068 14.4763 -63.8954 GPRESSAVG: 3201400 89.0362 2.41349 -6.38219 2.58382 -35.3801 14.1636 -6.26834 13.3585 -62.2326 TIMING: 3201400 CPU: 9293.59, 0.00288802/step Wall: 9293.59, 0.00288802/step, 1.44289 hours remaining, 207.886719 MB of memory in use. ENERGY: 3201400 745.7151 2116.5696 1934.8661 102.4466 -205959.6744 17573.9908 0.0000 0.0000 34211.6065 -149274.4797 298.7785 -183486.0862 -149183.4592 298.9698 -157.0840 -125.5865 557183.9362 -3.0438 -2.8588 PRESSURE: 3201600 79.6015 50.3637 -30.195 50.364 -107.466 -71.1872 -30.1963 -71.1872 -115.699 GPRESSURE: 3201600 116.03 -34.9838 -97.2047 103.696 -117.926 -116.71 59.8516 -86.4054 -38.78 PRESSAVG: 3201600 1.66666 -7.89756 -14.223 -7.89764 -49.6048 5.33983 -14.223 5.33989 79.8324 GPRESSAVG: 3201600 2.0435 -7.84184 -13.9427 -7.56835 -48.3311 5.07621 -13.4373 5.1198 78.2289 TIMING: 3201600 CPU: 9294.17, 0.00288022/step Wall: 9294.17, 0.00288022/step, 1.43883 hours remaining, 207.886719 MB of memory in use. ENERGY: 3201600 735.5627 2054.2597 1981.3265 110.8030 -206218.7200 17889.5775 0.0000 0.0000 34180.2299 -149266.9606 298.5044 -183447.1905 -149170.0393 298.7710 -47.8545 -13.5586 558313.9715 10.6314 10.6471 PRESSURE: 3201800 -11.6632 79.5288 25.258 79.5276 16.6893 75.2074 25.2582 75.2085 -104.964 GPRESSURE: 3201800 33.0019 107.408 25.8993 70.6628 28.4786 -78.8631 -21.8437 95.5496 -55.7548 PRESSAVG: 3201800 -2.74302 -16.0289 -15.7261 -16.0289 53.4757 7.9597 -15.7262 7.95969 16.6686 GPRESSAVG: 3201800 -1.8985 -15.3242 -17.248 -16.5055 52.8133 7.05313 -16.1528 8.36262 16.7763 TIMING: 3201800 CPU: 9294.75, 0.0028918/step Wall: 9294.75, 0.0028918/step, 1.44446 hours remaining, 207.886719 MB of memory in use. ENERGY: 3201800 734.3381 2102.3087 1990.7548 95.5523 -205950.0023 17807.1920 0.0000 0.0000 34086.7094 -149133.1469 297.6877 -183219.8563 -149037.3613 298.7880 -33.3125 1.9086 558369.3330 22.4671 22.5637 PRESSURE: 3202000 -76.5567 -33.0738 72.2216 -33.074 -262.502 194.156 72.2212 194.157 -157.54 GPRESSURE: 3202000 -101.946 -43.1951 125.723 -71.8766 -148.389 317.114 10.9444 210.475 -164.629 PRESSAVG: 3202000 4.47454 -42.6401 20.9864 -42.64 1.68031 -6.64513 20.9863 -6.64515 4.37885 GPRESSAVG: 3202000 3.2064 -42.9549 20.1476 -41.099 1.40694 -3.01992 22.6736 -7.40978 5.79731 TIMING: 3202000 CPU: 9295.33, 0.00291484/step Wall: 9295.33, 0.00291484/step, 1.4558 hours remaining, 207.886719 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: 3202000 741.3796 2079.3927 1959.4522 111.4307 -206152.5663 17705.1551 0.0000 0.0000 34406.2660 -149149.4898 300.4785 -183555.7558 -149058.7403 299.2670 -165.5330 -138.3212 560100.3667 3.5112 3.4702 PRESSURE: 3202200 -58.9702 -23.9769 -1.89608 -23.9762 76.2003 39.9142 -1.89577 39.9142 -164.061 GPRESSURE: 3202200 -54.0933 37.3761 -83.5904 -121.064 56.7582 35.1764 -4.78486 91.0786 -47.9417 PRESSAVG: 3202200 20.002 -35.2831 -18.9064 -35.283 -26.2207 22.7599 -18.9063 22.7599 -6.73887 GPRESSAVG: 3202200 19.5968 -35.1857 -18.936 -36.4837 -25.0181 19.6719 -21.5424 24.0061 -7.28754 TIMING: 3202200 CPU: 9295.91, 0.00291056/step Wall: 9295.91, 0.00291056/step, 1.4535 hours remaining, 207.886719 MB of memory in use. ENERGY: 3202200 715.9524 2143.0012 1978.0518 107.1239 -205974.0136 17701.2932 0.0000 0.0000 34258.6601 -149069.9309 299.1894 -183328.5910 -148985.0988 298.7013 -48.9437 -15.0922 558844.6950 -4.3192 -4.2363 PRESSURE: 3202400 -139.544 -186.527 -44.513 -186.527 -8.56157 29.746 -44.5132 29.7442 50.0832 GPRESSURE: 3202400 -92.7489 -152.015 -5.60116 -166.63 87.8041 59.9426 2.72715 -21.1496 4.00686 PRESSAVG: 3202400 -15.8981 -20.9077 6.01866 -20.9077 -36.7775 6.8404 6.01867 6.84038 7.40305 GPRESSAVG: 3202400 -16.6345 -20.7581 8.29798 -21.096 -35.9499 9.63693 7.92917 7.00612 7.30367 TIMING: 3202400 CPU: 9296.49, 0.00288995/step Wall: 9296.49, 0.00288995/step, 1.44305 hours remaining, 207.886719 MB of memory in use. ENERGY: 3202400 733.4495 2086.9151 1941.9832 98.8614 -205949.6029 17673.7025 0.0000 0.0000 34364.7021 -149049.9891 300.1155 -183414.6912 -148957.4698 298.8877 -32.6742 -0.3126 558300.6886 -15.0908 -15.0936 PRESSURE: 3202600 -236.19 18.6483 19.8842 18.6491 -14.9786 61.7548 19.8836 61.7536 208.414 GPRESSURE: 3202600 -223.993 24.8158 66.8679 -68.3382 12.6143 11.8861 -44.3034 -1.8471 264.267 PRESSAVG: 3202600 -71.28 5.78452 19.2804 5.78445 27.7284 49.1034 19.2804 49.1034 67.144 GPRESSAVG: 3202600 -70.1008 7.14138 18.3887 5.58031 25.7641 48.7679 17.427 47.4492 67.8035 TIMING: 3202600 CPU: 9297.07, 0.00290837/step Wall: 9297.07, 0.00290837/step, 1.45209 hours remaining, 207.886719 MB of memory in use. ENERGY: 3202600 763.8304 2128.7415 1958.7387 114.1272 -206002.8649 17610.2441 0.0000 0.0000 34501.6884 -148925.4946 301.3118 -183427.1830 -148828.6682 299.9404 -14.2514 17.6295 556019.9996 7.8641 7.8223 PRESSURE: 3202800 82.9836 -3.79059 107.389 -3.78888 112.628 47.6631 107.391 47.6626 222.763 GPRESSURE: 3202800 145.497 33.5911 82.2518 -13.03 113.44 -1.27716 96.7699 75.1585 266.864 PRESSAVG: 3202800 -26.8768 -54.6842 -32.6202 -54.6842 -14.4354 80.3636 -32.6202 80.3636 26.3248 GPRESSAVG: 3202800 -26.0458 -55.2832 -32.7392 -56.1058 -13.1502 79.3664 -30.327 81.9411 24.9945 TIMING: 3202800 CPU: 9297.65, 0.00289049/step Wall: 9297.65, 0.00289049/step, 1.443 hours remaining, 207.886719 MB of memory in use. ENERGY: 3202800 718.7738 2122.9484 1986.5982 121.8612 -206016.8393 17853.4746 0.0000 0.0000 34150.6782 -149062.5050 298.2464 -183213.1832 -148967.3736 298.9565 139.4581 175.2668 556375.8652 -4.9958 -4.7339 PRESSURE: 3203000 -343.655 -176.062 -39.8459 -176.063 55.0783 48.6554 -39.8463 48.6551 -49.4619 GPRESSURE: 3203000 -273.877 -129.769 -6.94393 -94.7517 65.0275 64.0021 -28.0718 72.6928 -30.4819 PRESSAVG: 3203000 4.94972 -26.3955 30.4421 -26.3956 -34.4834 -11.9841 30.442 -11.9841 15.8351 GPRESSAVG: 3203000 4.32478 -25.1691 30.1153 -23.7516 -34.8716 -12.1665 30.2044 -12.7791 16.5077 TIMING: 3203000 CPU: 9298.23, 0.00288726/step Wall: 9298.23, 0.00288726/step, 1.44123 hours remaining, 207.957031 MB of memory in use. ENERGY: 3203000 728.6118 2094.2055 1964.6075 104.0808 -206126.7082 17696.6212 0.0000 0.0000 34569.5232 -148969.0583 301.9042 -183538.5814 -148879.5575 299.0217 -112.6796 -79.7772 558076.8807 -4.5662 -4.6797 PRESSURE: 3203200 20.9514 -28.2902 17.3617 -28.2903 -12.9668 48.3985 17.3618 48.401 -361.911 GPRESSURE: 3203200 54.8416 74.7301 95.9384 -97.1258 -54.9071 -18.1595 59.224 168.43 -258.249 PRESSAVG: 3203200 -36.4391 26.5668 -40.8509 26.5667 86.2689 45.2337 -40.851 45.2337 -11.7016 GPRESSAVG: 3203200 -35.188 24.0837 -40.4834 25.9808 85.6158 46.0795 -42.5395 46.6535 -11.9197 TIMING: 3203200 CPU: 9298.81, 0.00290473/step Wall: 9298.81, 0.00290473/step, 1.44978 hours remaining, 207.968750 MB of memory in use. ENERGY: 3203200 724.4266 2092.9658 1937.6762 109.2546 -205934.1919 17675.9799 0.0000 0.0000 34429.3457 -148964.5431 300.6800 -183393.8887 -148865.8179 299.5492 -117.9755 -86.1047 560281.4323 12.7094 12.8360 PRESSURE: 3203400 -65.3615 67.1883 -65.2889 67.1885 -345.908 240.602 -65.2883 240.603 -265.518 GPRESSURE: 3203400 -16.1296 27.5157 -78.5683 41.3736 -302.222 241.951 -118.459 230.477 -271.99 PRESSAVG: 3203400 -30.1514 -62.7811 -33.8923 -62.7811 55.5539 37.8693 -33.8924 37.8693 -26.7332 GPRESSAVG: 3203400 -31.1473 -62.1257 -35.2879 -63.2227 56.3747 36.9004 -30.7559 38.7898 -26.6211 TIMING: 3203400 CPU: 9299.39, 0.00288855/step Wall: 9299.39, 0.00288855/step, 1.44155 hours remaining, 207.968750 MB of memory in use. ENERGY: 3203400 755.5747 2016.7846 1969.9416 103.4794 -205546.8105 17427.4589 0.0000 0.0000 34229.2098 -149044.3615 298.9322 -183273.5714 -148943.9352 299.4778 -225.5959 -196.7806 558722.9361 -0.4436 -0.4646 PRESSURE: 3203600 -84.0874 123.701 148.176 123.7 -260.482 -52.549 148.177 -52.5491 -212.609 GPRESSURE: 3203600 -72.7915 131.041 115.04 63.3828 -230.874 -31.2794 105.821 -34.2148 -143.866 PRESSAVG: 3203600 -32.5074 53.4771 -25.9746 53.4771 55.4363 13.8563 -25.9746 13.8563 -27.8375 GPRESSAVG: 3203600 -33.6196 56.6739 -23.7671 53.9994 55.8704 16.252 -29.6471 10.5814 -27.0124 TIMING: 3203600 CPU: 9299.97, 0.00290218/step Wall: 9299.97, 0.00290218/step, 1.44819 hours remaining, 207.968750 MB of memory in use. ENERGY: 3203600 738.3888 2114.4641 1948.9566 116.5981 -205975.4967 17668.1664 0.0000 0.0000 34412.0301 -148976.8927 300.5288 -183388.9228 -148890.7047 300.0595 -185.7261 -149.1772 558905.3434 -1.6362 -1.5872 PRESSURE: 3203800 136.484 -118.238 149.37 -118.237 390.404 -185.647 149.371 -185.646 -7.29508 GPRESSURE: 3203800 188.027 -80.0245 156.434 -134.081 414.871 -248.815 257.992 -104.203 22.8291 PRESSAVG: 3203800 -19.2961 -22.5421 -23.2034 -22.542 -14.7997 -33.9979 -23.2034 -33.9979 56.8667 GPRESSAVG: 3203800 -17.8481 -25.4183 -23.1129 -24.1665 -15.5371 -36.3852 -21.2353 -31.6709 56.1992 TIMING: 3203800 CPU: 9300.54, 0.00288262/step Wall: 9300.54, 0.00288262/step, 1.43827 hours remaining, 207.968750 MB of memory in use. ENERGY: 3203800 751.1707 2021.9078 1963.2218 106.4345 -206045.8702 17925.8960 0.0000 0.0000 34423.0933 -148854.1460 300.6254 -183277.2394 -148745.7173 299.8254 173.1976 208.5756 558181.1183 7.5903 7.6047 PRESSURE: 3204000 146.682 -0.948524 81.2499 -0.950357 229.89 -69.5053 81.2508 -69.5046 235.659 GPRESSURE: 3204000 197.054 105.506 42.112 -7.38814 297.329 -67.8677 107.128 -65.7525 216.846 PRESSAVG: 3204000 3.41414 46.3313 7.09009 46.3314 18.3855 49.9947 7.09013 49.9947 -16.405 GPRESSAVG: 3204000 3.31034 46.3763 4.44698 47.4871 18.7601 51.7339 7.60841 48.644 -16.2927 TIMING: 3204000 CPU: 9301.12, 0.00288664/step Wall: 9301.12, 0.00288664/step, 1.44011 hours remaining, 207.968750 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: 3204000 738.6762 2090.8886 1998.0086 106.5453 -206408.4532 18302.9247 0.0000 0.0000 34306.0988 -148865.3110 299.6037 -183171.4098 -148770.2004 299.9314 204.0772 237.0763 557466.9670 1.7982 1.9259 PRESSURE: 3204200 -343.637 123.046 63.274 123.046 49.0529 83.5438 63.2742 83.5445 -277.796 GPRESSURE: 3204200 -258.126 74.6999 25.1679 81.6444 48.5958 141.066 22.5495 152.856 -273.785 PRESSAVG: 3204200 0.91952 49.7774 -9.16917 49.7773 5.58101 38.8569 -9.16924 38.8569 0.266894 GPRESSAVG: 3204200 1.70007 49.5358 -8.50127 49.7871 4.90619 37.2571 -9.30661 40.4381 0.474659 TIMING: 3204200 CPU: 9301.7, 0.00289793/step Wall: 9301.7, 0.00289793/step, 1.44558 hours remaining, 207.968750 MB of memory in use. ENERGY: 3204200 721.5199 2063.3077 1974.8178 107.8692 -205665.5127 17548.3357 0.0000 0.0000 34298.9104 -148950.7520 299.5409 -183249.6625 -148853.5982 299.6830 -190.7934 -161.1051 558175.9606 2.2558 2.3603 LDB: ============= START OF LOAD BALANCING ============== 9305.16 LDB: ============== END OF LOAD BALANCING =============== 9305.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9305.17 LDB: ============= START OF LOAD BALANCING ============== 9305.46 LDB: Largest compute 4848 load 0.027535 is 23.4% of average load 0.117767 LDB: Average compute 0.001710 is 1.5% of average load 0.117767 LDB: TIME 9305.46 LOAD: AVG 0.117767 MAX 0.179956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 9305.46 LOAD: AVG 0.117767 MAX 0.179956 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.27 MB LDB: TIME 9305.46 LOAD: AVG 0.117767 MAX 0.179956 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9305.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9305.46 PRESSURE: 3204400 -165.418 -155.081 -162.123 -155.081 -187.675 27.1002 -162.122 27.099 -239.634 GPRESSURE: 3204400 -132.994 -139.978 -147.922 -200.667 -213.279 26.4039 -172.738 29.1446 -145.442 PRESSAVG: 3204400 0.797633 -21.301 1.22708 -21.3011 -14.143 44.9135 1.22714 44.9134 -10.5531 GPRESSAVG: 3204400 -0.240257 -20.4977 1.7939 -22.596 -13.4045 46.4043 0.892164 44.2706 -10.203 TIMING: 3204400 CPU: 9302.29, 0.00294552/step Wall: 9302.29, 0.00294552/step, 1.46916 hours remaining, 206.714844 MB of memory in use. ENERGY: 3204400 742.6665 2054.6130 1961.2204 123.3082 -205675.4655 17664.1346 0.0000 0.0000 34356.2580 -148773.2647 300.0417 -183129.5227 -148675.7330 299.8689 -197.5753 -163.9050 559341.3615 -7.9662 -7.9493 PRESSURE: 3204600 86.1365 -215.794 16.8365 -215.794 69.4915 -31.5421 16.836 -31.5425 50.2032 GPRESSURE: 3204600 116.932 -165.581 -3.80505 -235.994 77.47 -80.5018 64.5685 -19.3063 105.813 PRESSAVG: 3204600 28.4434 -20.3088 -3.15747 -20.3088 -13.4442 14.8184 -3.15746 14.8184 -44.1394 GPRESSAVG: 3204600 28.1068 -20.086 -2.73123 -18.4759 -13.7192 14.127 -4.41609 14.7038 -43.7186 TIMING: 3204600 CPU: 9302.86, 0.0028617/step Wall: 9302.86, 0.0028617/step, 1.42719 hours remaining, 207.117188 MB of memory in use. ENERGY: 3204600 747.8686 2065.5668 1952.5872 111.8414 -206259.1600 17875.8080 0.0000 0.0000 34713.6663 -148791.8217 303.1631 -183505.4881 -148699.2932 300.2418 68.6104 100.0716 556876.3235 -9.7134 -9.7770 PRESSURE: 3204800 -111.11 -4.97995 -95.622 -4.98026 -42.8319 36.3122 -95.6218 36.3131 -47.4619 GPRESSURE: 3204800 -86.4309 2.76352 -67.1297 73.9844 13.1764 56.5554 -183.154 13.8755 -16.1271 PRESSAVG: 3204800 35.4338 -5.30625 -37.0783 -5.30627 -12.0448 -25.9898 -37.0784 -25.9898 -18.2962 GPRESSAVG: 3204800 35.3597 -6.60472 -37.5596 -3.96539 -12.4465 -26.0937 -36.6995 -26.0342 -17.6928 TIMING: 3204800 CPU: 9303.44, 0.00288987/step Wall: 9303.44, 0.00288987/step, 1.44108 hours remaining, 207.117188 MB of memory in use. ENERGY: 3204800 775.3084 2032.1736 1934.8575 111.9235 -205818.2078 17872.4784 0.0000 0.0000 34507.3414 -148584.1249 301.3612 -183091.4663 -148480.9273 300.6656 -67.1346 -29.7939 558461.1245 1.6976 1.7401 PRESSURE: 3205000 6.21096 59.6571 -16.1091 59.6568 -214.522 -110.346 -16.1096 -110.347 -109.572 GPRESSURE: 3205000 61.1022 66.8572 -15.5667 -7.7744 -172.727 -145.344 9.66212 -105.303 -97.71 PRESSAVG: 3205000 -7.26436 -1.67606 -37.7988 -1.67596 -41.4395 -23.8523 -37.7989 -23.8522 28.182 GPRESSAVG: 3205000 -6.86607 -1.69107 -37.2257 -5.21312 -42.0032 -25.5098 -38.7246 -23.7237 28.338 TIMING: 3205000 CPU: 9304.02, 0.00290995/step Wall: 9304.02, 0.00290995/step, 1.45093 hours remaining, 207.117188 MB of memory in use. ENERGY: 3205000 769.8566 2062.7108 1949.3792 109.7243 -206039.3068 17690.9747 0.0000 0.0000 34560.5584 -148896.1028 301.8260 -183456.6612 -148807.2802 300.6262 -105.9609 -69.7784 558142.5682 -6.8406 -6.8438 PRESSURE: 3205200 272.829 6.51784 11.5727 6.51853 -1.29924 186.566 11.5735 186.567 -68.0295 GPRESSURE: 3205200 271.094 -23.0895 -55.1721 123.267 62.0864 165.194 108.846 194.738 -34.0245 PRESSAVG: 3205200 24.8499 12.8006 -41.6529 12.8005 -39.7494 -5.52278 -41.653 -5.52272 25.9419 GPRESSAVG: 3205200 24.5852 13.0134 -43.1731 14.8869 -39.2755 -4.6171 -39.4787 -6.39861 26.2222 TIMING: 3205200 CPU: 9304.6, 0.00288816/step Wall: 9304.6, 0.00288816/step, 1.43991 hours remaining, 207.117188 MB of memory in use. ENERGY: 3205200 726.6447 2066.2731 1959.1186 110.6335 -205939.5071 17781.4040 0.0000 0.0000 34383.7088 -148911.7244 300.2815 -183295.4332 -148814.8529 300.5401 67.8333 99.7188 557094.7037 3.6808 3.8440 PRESSURE: 3205400 -148.336 76.9512 -25.2776 76.9506 -511.711 -87.8717 -25.2774 -87.8705 -555.969 GPRESSURE: 3205400 -182.097 76.5104 78.1628 32.0334 -432.198 -70.2363 -143.31 -143.21 -508.52 PRESSAVG: 3205400 15.6128 13.1648 24.2253 13.1648 -20.7184 -42.9685 24.2253 -42.9684 -17.7952 GPRESSAVG: 3205400 15.5277 13.1135 23.9902 14.0442 -19.5715 -42.1494 24.9187 -42.5706 -18.5182 TIMING: 3205400 CPU: 9305.18, 0.0028993/step Wall: 9305.18, 0.0028993/step, 1.4453 hours remaining, 207.117188 MB of memory in use. ENERGY: 3205400 741.8912 2060.5102 1954.2349 108.4068 -205071.5548 17145.1860 0.0000 0.0000 34157.1731 -148904.1526 298.3031 -183061.3257 -148806.1529 299.1817 -405.3388 -374.2717 559825.4069 -7.6336 -7.5207 PRESSURE: 3205600 1.16945 -27.1145 -20.9614 -27.1154 133.905 57.6293 -20.9611 57.6309 78.5359 GPRESSURE: 3205600 98.3602 22.5173 63.6042 -22.219 105.214 136.121 -58.8716 -0.248236 97.6163 PRESSAVG: 3205600 -37.6912 27.9804 26.337 27.9803 18.4077 1.0563 26.337 1.0563 31.4258 GPRESSAVG: 3205600 -37.2328 29.7545 28.7052 25.8752 18.1571 -0.429325 23.7769 -0.00285494 31.5177 TIMING: 3205600 CPU: 9305.76, 0.00289971/step Wall: 9305.76, 0.00289971/step, 1.44534 hours remaining, 207.117188 MB of memory in use. ENERGY: 3205600 758.3080 2043.4169 1949.0033 112.8622 -205994.5754 17984.1500 0.0000 0.0000 34149.5424 -148997.2927 298.2364 -183146.8351 -148906.6465 299.4933 71.2035 100.3968 558509.3939 4.0474 4.1473 PRESSURE: 3205800 135.805 -47.9365 65.731 -47.9377 65.5235 95.548 65.732 95.5466 398.023 GPRESSURE: 3205800 214.696 -24.4636 61.0239 -29.3129 103.7 116.241 68.4072 95.9617 386.089 PRESSAVG: 3205800 -4.98118 31.2451 50.5862 31.2452 -6.4506 50.3454 50.5863 50.3453 24.8191 GPRESSAVG: 3205800 -4.27575 29.1675 48.493 33.7539 -5.99925 52.1013 51.5993 50.4102 23.7312 TIMING: 3205800 CPU: 9306.34, 0.00289602/step Wall: 9306.34, 0.00289602/step, 1.44334 hours remaining, 207.117188 MB of memory in use. ENERGY: 3205800 701.5115 2094.9549 1974.2900 122.6699 -206366.8678 18119.3404 0.0000 0.0000 34464.6116 -148889.4895 300.9880 -183354.1011 -148792.6709 299.0737 199.7838 234.8283 557628.9778 4.4624 4.4854 PRESSURE: 3206000 41.0813 49.2891 -19.5236 49.2894 -63.0609 110.255 -19.525 110.257 -119.485 GPRESSURE: 3206000 75.4837 100.356 -35.0293 17.2416 3.49227 95.3651 -43.375 77.0467 -124.385 PRESSAVG: 3206000 30.5012 24.8987 20.8643 24.8987 3.97929 -46.9688 20.8643 -46.9689 39.0949 GPRESSAVG: 3206000 28.7261 24.3097 23.7301 23.5588 4.88355 -47.0624 19.5886 -47.7148 39.9577 TIMING: 3206000 CPU: 9306.91, 0.0028689/step Wall: 9306.91, 0.0028689/step, 1.42967 hours remaining, 207.117188 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: 3206000 759.5741 2080.2676 1958.5357 131.9388 -206148.3008 17830.6009 0.0000 0.0000 34367.7567 -149019.6270 300.1422 -183387.3837 -148925.2104 300.1865 -47.1549 -15.1363 558014.9041 24.5251 24.5224 PRESSURE: 3206200 -146.419 19.2536 -28.6207 19.2545 -399.355 9.85539 -28.6218 9.85517 -90.9004 GPRESSURE: 3206200 -119.26 29.3256 -58.3093 -123.464 -306.405 26.5018 -42.9462 -9.98901 -103.915 PRESSAVG: 3206200 34.0759 28.356 23.8924 28.356 -9.83046 6.75103 23.8924 6.75096 -42.9607 GPRESSAVG: 3206200 34.7747 28.5589 23.8127 28.6645 -10.8276 4.30161 23.999 8.60268 -42.2197 TIMING: 3206200 CPU: 9307.49, 0.00288938/step Wall: 9307.49, 0.00288938/step, 1.43971 hours remaining, 207.117188 MB of memory in use. ENERGY: 3206200 764.9039 2130.1457 1952.3454 119.9379 -205654.0311 17511.6250 0.0000 0.0000 34189.3186 -148985.7546 298.5838 -183175.0732 -148890.7366 299.4886 -212.2250 -176.5269 557450.4535 -6.2384 -6.0909 PRESSURE: 3206400 -48.5132 -125.692 55.9061 -125.691 114.386 -73.009 55.9057 -73.01 141.105 GPRESSURE: 3206400 10.6983 -133.625 163.23 -128.938 117.489 -82.3794 -8.56916 2.29722 179.701 PRESSAVG: 3206400 -42.53 22.7264 40.8601 22.7263 3.29722 -34.7214 40.8601 -34.7213 37.6418 GPRESSAVG: 3206400 -41.2653 22.7336 39.7327 20.4352 2.81442 -33.9678 42.535 -34.9423 36.2997 TIMING: 3206400 CPU: 9308.07, 0.0028761/step Wall: 9308.07, 0.0028761/step, 1.43294 hours remaining, 207.117188 MB of memory in use. ENERGY: 3206400 718.5030 2057.1896 1939.0238 120.4873 -205926.6934 17670.2235 0.0000 0.0000 34401.2098 -149020.0565 300.4343 -183421.2663 -148922.9794 300.3496 68.9927 102.6295 556163.4222 -0.5303 -0.7171 PRESSURE: 3206600 137.784 214.529 -53.0281 214.53 -50.0535 -60.226 -53.0279 -60.2254 -162.014 GPRESSURE: 3206600 199.34 273.861 -22.7957 181.091 -57.4971 -21.6285 -52.7641 -102.682 -116.106 PRESSAVG: 3206600 23.7592 18.7666 -1.73068 18.7665 10.1063 -22.0466 -1.73068 -22.0465 -28.9305 GPRESSAVG: 3206600 23.6548 18.7812 -2.4118 20.2123 10.3221 -22.1951 -2.86699 -22.3109 -28.7823 TIMING: 3206600 CPU: 9308.64, 0.00287638/step Wall: 9308.64, 0.00287638/step, 1.43292 hours remaining, 207.375000 MB of memory in use. ENERGY: 3206600 778.7322 2054.1262 1945.1270 107.1351 -206195.8048 17761.3968 0.0000 0.0000 34397.7579 -149151.5297 300.4042 -183549.2876 -149062.7757 299.2898 -24.7611 8.5793 556353.3279 1.6450 1.7315 PRESSURE: 3206800 416.065 -139.004 30.3199 -139.003 -79.4869 -68.8937 30.3209 -68.8957 65.3421 GPRESSURE: 3206800 436.91 -204.156 87.7323 -167.661 -23.9251 -77.954 42.354 -51.5142 84.4255 PRESSAVG: 3206800 18.7469 24.6793 -16.3845 24.6793 26.3399 -47.0401 -16.3845 -47.0403 28.2793 GPRESSAVG: 3206800 19.2881 26.0362 -16.7202 24.8151 24.8512 -45.2822 -16.2797 -47.2883 29.2573 TIMING: 3206800 CPU: 9309.22, 0.00287648/step Wall: 9309.22, 0.00287648/step, 1.4328 hours remaining, 207.375000 MB of memory in use. ENERGY: 3206800 738.1342 2075.6825 1969.4813 124.9142 -206130.8270 17720.6541 0.0000 0.0000 34392.2800 -149109.6808 300.3563 -183501.9608 -149014.2297 299.3632 133.9733 165.8034 555703.3365 24.4553 24.4656 PRESSURE: 3207000 -67.3589 80.365 9.09445 80.366 -16.5416 -73.2508 9.09521 -73.2512 215.262 GPRESSURE: 3207000 -43.5041 164.461 35.9377 0.483042 28.4315 -120.333 -32.0281 -83.0112 248.525 PRESSAVG: 3207000 7.55704 -47.4184 -1.74126 -47.4183 -4.17802 40.4046 -1.74123 40.4046 13.8336 GPRESSAVG: 3207000 6.91485 -48.7425 -3.19594 -46.9413 -3.14897 39.556 -1.2615 39.6451 13.1763 TIMING: 3207000 CPU: 9309.8, 0.00290544/step Wall: 9309.8, 0.00290544/step, 1.44707 hours remaining, 207.375000 MB of memory in use. ENERGY: 3207000 742.9186 2149.2360 2000.1713 118.4914 -206216.3055 17799.7900 0.0000 0.0000 34113.0614 -149292.6367 297.9179 -183405.6982 -149196.3874 299.3348 43.7872 77.8174 556873.2483 5.7376 5.6474 PRESSURE: 3207200 -97.2694 -81.7114 -24.1299 -81.7116 256.742 -28.9614 -24.1298 -28.9603 -282.777 GPRESSURE: 3207200 -153.131 -124.774 9.54026 -102.714 282.321 6.48402 2.46577 -2.25492 -155.975 PRESSAVG: 3207200 19.7304 2.26044 -84.4061 2.26034 47.0898 -12.9214 -84.4061 -12.9215 -17.308 GPRESSAVG: 3207200 18.3913 1.06959 -82.1999 1.15643 48.7078 -11.1338 -85.0774 -12.7838 -17.455 TIMING: 3207200 CPU: 9310.38, 0.00290541/step Wall: 9310.38, 0.00290541/step, 1.44689 hours remaining, 207.375000 MB of memory in use. ENERGY: 3207200 724.2261 2123.2876 1958.1951 112.6876 -206300.0648 17848.4382 0.0000 0.0000 34339.0976 -149194.1326 299.8919 -183533.2302 -149099.9036 298.7824 -41.1016 -8.9285 557638.6080 16.5040 16.5480 PRESSURE: 3207400 -213.182 191.006 17.5562 191.006 -16.005 74.6055 17.5556 74.6057 -76.9862 GPRESSURE: 3207400 -234.273 180.651 -17.5807 142.478 30.7494 74.9471 58.6501 44.9173 -29.9039 PRESSAVG: 3207400 -33.0468 -23.9576 -16.605 -23.9575 78.7768 25.7127 -16.605 25.7127 -37.0325 GPRESSAVG: 3207400 -32.3185 -23.9283 -19.1232 -25.841 76.3942 24.1048 -15.529 25.9809 -35.9563 TIMING: 3207400 CPU: 9310.96, 0.0028909/step Wall: 9310.96, 0.0028909/step, 1.43951 hours remaining, 207.386719 MB of memory in use. ENERGY: 3207400 728.1676 2170.3236 1983.6914 124.5509 -206248.4777 17692.0440 0.0000 0.0000 34437.4245 -149112.2757 300.7506 -183549.7002 -149015.3141 299.3364 -102.0576 -77.8091 557050.6929 2.8992 2.7065 PRESSURE: 3207600 -191.028 -19.6589 -222.954 -19.6597 -224.339 -14.3432 -222.954 -14.3427 -332.154 GPRESSURE: 3207600 -185.668 -63.7827 -180.435 39.7879 -167.566 20.6823 -210.468 -25.3981 -302.359 PRESSAVG: 3207600 -43.2158 69.0563 -44.5652 69.0563 -29.6605 42.8178 -44.5653 42.8178 89.2309 GPRESSAVG: 3207600 -44.1561 69.8387 -42.861 71.5927 -29.2047 41.9899 -43.4877 42.2581 89.6305 TIMING: 3207600 CPU: 9311.53, 0.0028728/step Wall: 9311.53, 0.0028728/step, 1.43033 hours remaining, 207.386719 MB of memory in use. ENERGY: 3207600 747.0810 2144.8905 1949.5827 110.2746 -205842.7532 17441.2104 0.0000 0.0000 34186.1945 -149263.5195 298.5565 -183449.7139 -149164.5110 299.1009 -249.1735 -218.5312 558877.8419 5.4515 5.4232 PRESSURE: 3207800 -364.276 -193.707 12.3519 -193.706 -354.189 -98.7247 12.352 -98.7256 -394.025 GPRESSURE: 3207800 -313.289 -61.5408 34.6795 -202.674 -353.594 -130.299 3.43009 -101.147 -324.013 PRESSAVG: 3207800 -42.4083 -58.7099 -99.408 -58.7099 2.90538 -21.5893 -99.4081 -21.5893 29.0453 GPRESSAVG: 3207800 -40.728 -58.556 -99.2799 -58.5097 2.33735 -21.3185 -101.786 -19.7926 28.7657 TIMING: 3207800 CPU: 9312.11, 0.00287804/step Wall: 9312.11, 0.00287804/step, 1.43278 hours remaining, 207.386719 MB of memory in use. ENERGY: 3207800 765.3639 2091.2893 1954.0068 110.1769 -205976.2643 17390.4729 0.0000 0.0000 34275.8092 -149389.1452 299.3392 -183664.9545 -149293.8759 299.0520 -370.8298 -330.2990 559011.2939 -3.4859 -3.2083 PRESSURE: 3208000 -173.275 -7.00333 -29.8339 -7.00365 -570.512 -26.2204 -29.835 -26.2204 -30.0876 GPRESSURE: 3208000 -184.904 80.7853 11.2647 23.1294 -506.519 63.6428 -123.678 -23.6888 16.7088 PRESSAVG: 3208000 15.9723 -10.6941 -12.837 -10.6942 -32.8484 55.9917 -12.8371 55.9917 42.8829 GPRESSAVG: 3208000 16.27 -10.4497 -14.1402 -12.6568 -33.2454 56.2747 -12.1518 54.0252 42.5304 TIMING: 3208000 CPU: 9312.68, 0.00286861/step Wall: 9312.68, 0.00286861/step, 1.42793 hours remaining, 207.386719 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: 3208000 750.4342 2141.4383 1963.6136 120.2141 -206095.6410 17599.8752 0.0000 0.0000 34122.5904 -149397.4752 298.0011 -183520.0656 -149305.4204 298.7717 -257.9583 -224.9045 558120.0779 8.6689 8.5183 PRESSURE: 3208200 -143.494 -198.324 4.91232 -198.325 4.93953 28.0236 4.91268 28.0233 230.828 GPRESSURE: 3208200 -120.477 -246.958 21.3986 -78.3159 35.8623 31.6249 -21.9465 77.2707 274.484 PRESSAVG: 3208200 -11.3178 -18.7427 -17.1752 -18.7428 -24.0091 -21.9067 -17.1751 -21.9067 30.4833 GPRESSAVG: 3208200 -11.7145 -17.8098 -17.1207 -19.7045 -23.0089 -21.39 -18.642 -21.0512 29.6831 TIMING: 3208200 CPU: 9313.26, 0.0028959/step Wall: 9313.26, 0.0028959/step, 1.44135 hours remaining, 207.386719 MB of memory in use. ENERGY: 3208200 764.9037 2098.4989 2005.0873 103.0975 -206464.1138 17852.2251 0.0000 0.0000 34335.2735 -149305.0277 299.8585 -183640.3012 -149214.3455 299.1028 30.7578 63.2896 556807.4968 -1.6146 -1.6801 LDB: ============= START OF LOAD BALANCING ============== 9316.72 LDB: ============== END OF LOAD BALANCING =============== 9316.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9316.73 LDB: ============= START OF LOAD BALANCING ============== 9317.02 LDB: Largest compute 4820 load 0.027833 is 23.6% of average load 0.117789 LDB: Average compute 0.001705 is 1.4% of average load 0.117789 LDB: TIME 9317.02 LOAD: AVG 0.117789 MAX 0.177785 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.242 MB LDB: TIME 9317.02 LOAD: AVG 0.117789 MAX 0.177785 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.484 MB LDB: TIME 9317.02 LOAD: AVG 0.117789 MAX 0.177785 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9317.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9317.03 PRESSURE: 3208400 -257.715 21.2567 -14.197 21.2569 -91.9776 53.2716 -14.1966 53.2715 138.952 GPRESSURE: 3208400 -212.248 -15.7615 -21.1394 16.1999 -57.8976 146.849 -20.9715 -13.4967 153.848 PRESSAVG: 3208400 -11.6735 -21.5015 25.9975 -21.5016 40.0588 31.8546 25.9974 31.8545 -35.1453 GPRESSAVG: 3208400 -12.9254 -22.8 27.1081 -20.6822 39.9188 33.2933 27.2954 32.6531 -33.0437 TIMING: 3208400 CPU: 9313.85, 0.00295354/step Wall: 9313.85, 0.00295354/step, 1.46988 hours remaining, 207.496094 MB of memory in use. ENERGY: 3208400 745.3611 2131.6832 1984.3954 108.3656 -206096.8195 17706.2053 0.0000 0.0000 34079.0870 -149341.7220 297.6211 -183420.8089 -149247.1812 298.4171 -70.2468 -38.7656 558315.9949 -2.2533 -2.0168 PRESSURE: 3208600 43.2547 24.6108 -101.252 24.6099 61.2884 -60.4751 -101.252 -60.4767 -88.3173 GPRESSURE: 3208600 74.1587 88.5709 -49.446 27.1583 72.9268 -79.7726 -60.9144 -85.1726 -24.203 PRESSAVG: 3208600 -4.73334 1.95438 1.50293 1.95428 -8.49151 -72.0212 1.50289 -72.0211 -13.5231 GPRESSAVG: 3208600 -3.47805 0.340819 2.37825 2.26062 -8.91633 -74.0571 0.621622 -73.3609 -14.1389 TIMING: 3208600 CPU: 9314.43, 0.00288477/step Wall: 9314.43, 0.00288477/step, 1.4355 hours remaining, 207.566406 MB of memory in use. ENERGY: 3208600 769.8291 2084.7668 1936.5095 125.5337 -206266.4057 17798.5186 0.0000 0.0000 34189.9429 -149361.3050 298.5893 -183551.2479 -149263.5041 298.2266 5.4086 40.9608 557296.2340 -8.9160 -8.8444 PRESSURE: 3208800 53.9859 203.463 78.4891 203.462 -4.07721 39.2888 78.4882 39.2882 -103.437 GPRESSURE: 3208800 82.4252 191.649 68.0766 216.383 53.3771 -18.9096 62.2188 133.362 -90.0789 PRESSAVG: 3208800 -28.5767 12.657 19.0968 12.657 29.8795 -34.5652 19.0968 -34.5652 38.3944 GPRESSAVG: 3208800 -28.8616 14.9714 16.95 10.8531 29.9254 -35.4031 19.2775 -33.5383 39.0123 TIMING: 3208800 CPU: 9315, 0.0028846/step Wall: 9315, 0.0028846/step, 1.43525 hours remaining, 207.566406 MB of memory in use. ENERGY: 3208800 745.1846 2121.1255 1943.6546 120.8008 -206330.5759 17881.2336 0.0000 0.0000 34194.2700 -149324.3068 298.6271 -183518.5768 -149228.7070 299.4246 -17.8427 15.2411 557105.3283 13.2324 13.3587 PRESSURE: 3209000 -288.788 -39.0874 -52.996 -39.0871 -9.38966 -25.6219 -52.9969 -25.6212 38.1382 GPRESSURE: 3209000 -159.269 -50.2314 -18.5196 -127.015 -29.6926 -86.851 -145.186 81.4843 25.9844 PRESSAVG: 3209000 18.2536 29.1654 -49.8617 29.1654 -3.89288 -7.91731 -49.8616 -7.91708 -47.2415 GPRESSAVG: 3209000 18.5571 30.518 -50.1044 30.67 -4.26128 -8.1248 -48.009 -6.54325 -47.4281 TIMING: 3209000 CPU: 9315.58, 0.00288348/step Wall: 9315.58, 0.00288348/step, 1.43453 hours remaining, 207.824219 MB of memory in use. ENERGY: 3209000 764.4602 2127.5621 1994.7340 107.3921 -206465.1285 17862.5917 0.0000 0.0000 34171.5718 -149436.8167 298.4288 -183608.3885 -149347.9061 299.2754 -86.6797 -54.3256 557319.1128 -10.9602 -11.0441 PRESSURE: 3209200 -169.462 -69.5704 114.744 -69.5708 121.482 67.801 114.743 67.7986 38.3767 GPRESSURE: 3209200 -146.052 -53.3549 20.7702 11.434 186.711 84.9572 111.297 83.8697 61.8229 PRESSAVG: 3209200 48.1281 -8.8477 15.8969 -8.84773 -35.5187 1.49439 15.8968 1.49436 -28.8835 GPRESSAVG: 3209200 46.3468 -10.4551 15.7974 -9.85893 -34.0335 0.810121 15.2542 0.0369326 -28.0216 TIMING: 3209200 CPU: 9316.16, 0.00289235/step Wall: 9316.16, 0.00289235/step, 1.43879 hours remaining, 207.824219 MB of memory in use. ENERGY: 3209200 746.9251 2140.6233 1965.0588 110.4312 -206519.2900 17797.4300 0.0000 0.0000 34262.5226 -149496.2991 299.2231 -183758.8216 -149399.8138 299.2077 -3.2013 34.1607 556668.1952 -5.4247 -5.2361 PRESSURE: 3209400 -185.826 130.395 48.9856 130.395 -263.237 -7.36591 48.9857 -7.36622 94.879 GPRESSURE: 3209400 -131.864 156.635 1.85679 85.7818 -273.543 -26.145 88.363 -19.1979 146.119 PRESSAVG: 3209400 20.343 -9.84534 39.0144 -9.84539 -32.8969 1.38427 39.0144 1.38423 14.0048 GPRESSAVG: 3209400 21.7153 -9.86346 39.2204 -8.21712 -33.5613 2.49102 39.5901 2.57914 13.6885 TIMING: 3209400 CPU: 9316.73, 0.00287039/step Wall: 9316.73, 0.00287039/step, 1.4277 hours remaining, 207.824219 MB of memory in use. ENERGY: 3209400 774.2421 2094.4859 1950.2915 109.6434 -206121.8732 17434.5521 0.0000 0.0000 34252.1437 -149506.5144 299.1325 -183758.6581 -149403.9905 298.8356 -118.0613 -86.4291 555155.4462 0.4836 0.6141 PRESSURE: 3209600 -202.045 25.8816 -67.7749 25.8821 -242.057 214.42 -67.7759 214.42 251.854 GPRESSURE: 3209600 -193.904 13.8683 -135.362 18.1222 -228.638 221.996 -26.5555 256.412 323.74 PRESSAVG: 3209600 19.3241 -42.1584 2.2256 -42.1584 -49.0867 64.4997 2.2255 64.5 42.2614 GPRESSAVG: 3209600 19.1339 -42.4303 2.37671 -43.2463 -49.0404 65.2342 -1.243 62.0947 42.2965 TIMING: 3209600 CPU: 9317.31, 0.00289329/step Wall: 9317.31, 0.00289329/step, 1.43893 hours remaining, 207.824219 MB of memory in use. ENERGY: 3209600 762.7538 2052.8617 1922.2098 108.1966 -206047.3473 17755.2581 0.0000 0.0000 34034.9109 -149411.1564 297.2353 -183446.0673 -149309.9613 298.9394 -64.0826 -32.9339 557782.4813 4.1662 4.1300 PRESSURE: 3209800 -134.407 46.2065 166.059 46.2061 -180.03 4.67323 166.06 4.67443 -250.034 GPRESSURE: 3209800 -73.8982 57.1061 137.722 28.2107 -120.634 15.8404 184.893 -55.2571 -290.851 PRESSAVG: 3209800 44.4229 0.928382 -7.08239 0.928452 -112.263 11.4156 -7.08242 11.4155 91.9179 GPRESSAVG: 3209800 42.6967 -0.00799493 -8.10344 2.1147 -111.421 8.59259 -6.99875 13.4583 92.4233 TIMING: 3209800 CPU: 9317.89, 0.00289171/step Wall: 9317.89, 0.00289171/step, 1.43798 hours remaining, 207.835938 MB of memory in use. ENERGY: 3209800 775.5008 2047.9983 1937.7486 115.8009 -206168.1633 17690.0124 0.0000 0.0000 34254.0060 -149347.0964 299.1488 -183601.1024 -149253.4216 298.4522 -188.1570 -161.7947 559052.7779 8.0260 7.8998 PRESSURE: 3210000 -124.152 22.0786 136.555 22.0792 -61.2504 -61.5316 136.556 -61.5304 22.034 GPRESSURE: 3210000 -58.2536 25.0399 118.585 30.3544 -30.4417 -105.742 168.354 -48.6953 17.6431 PRESSAVG: 3210000 -45.792 -1.107 31.4938 -1.10703 -30.9793 -1.52581 31.4939 -1.52582 27.4923 GPRESSAVG: 3210000 -44.4056 -0.391407 31.9025 -0.548515 -31.8053 1.68036 33.5313 -3.41504 27.1628 TIMING: 3210000 CPU: 9318.46, 0.00286029/step Wall: 9318.46, 0.00286029/step, 1.4222 hours remaining, 207.835938 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: 3210000 778.6880 2065.1083 1949.5720 115.9153 -205879.7967 17636.7123 0.0000 0.0000 34205.5081 -149128.2927 298.7252 -183333.8008 -149031.2070 298.7820 -54.4563 -23.6840 557528.4436 -16.4263 -16.3494 PRESSURE: 3210200 36.0189 -206.339 56.1739 -206.339 -147.661 -75.439 56.1738 -75.4398 22.8254 GPRESSURE: 3210200 121.396 -183.366 15.1757 -158.299 -123.76 -29.0586 91.8066 -120.4 25.954 PRESSAVG: 3210200 -22.2242 -24.1495 12.2321 -24.1496 -67.7246 10.3414 12.2321 10.3414 82.6378 GPRESSAVG: 3210200 -22.65 -23.7862 13.9766 -25.0638 -67.5771 9.59589 13.0017 11.3567 82.8562 TIMING: 3210200 CPU: 9319.04, 0.00287245/step Wall: 9319.04, 0.00287245/step, 1.42809 hours remaining, 207.835938 MB of memory in use. ENERGY: 3210200 721.9178 2039.4469 1946.1777 117.2295 -205912.3626 17713.5015 0.0000 0.0000 34173.9284 -149200.1608 298.4494 -183374.0891 -149097.9509 299.1998 -29.6056 7.8631 558247.1696 -2.4370 -2.4570 PRESSURE: 3210400 132.706 3.11231 -24.2503 3.11285 -98.8138 1.833 -24.2508 1.83482 -6.32036 GPRESSURE: 3210400 116.733 12.8488 2.16684 73.7339 -34.1964 32.1683 28.733 46.089 47.3535 PRESSAVG: 3210400 17.2125 43.8804 -53.3094 43.8804 -102.848 -14.6994 -53.3094 -14.6994 51.1491 GPRESSAVG: 3210400 16.3718 44.4842 -53.0711 42.9235 -102.726 -14.0212 -54.1696 -15.3341 51.6367 TIMING: 3210400 CPU: 9319.61, 0.00285877/step Wall: 9319.61, 0.00285877/step, 1.42112 hours remaining, 207.835938 MB of memory in use. ENERGY: 3210400 743.9558 2069.6689 1960.9149 105.8979 -206295.2459 17807.1645 0.0000 0.0000 34286.0683 -149321.5755 299.4288 -183607.6438 -149230.5684 298.5273 9.1907 43.2965 557509.1663 -11.4955 -11.5725 PRESSURE: 3210600 144.971 -207.345 57.5827 -207.347 -218.501 68.7833 57.5811 68.7824 84.2855 GPRESSURE: 3210600 182.004 -79.3955 63.8961 -278.333 -199.123 107.953 143.716 69.2475 115.477 PRESSAVG: 3210600 44.916 23.1418 1.84035 23.1419 -49.9745 35.159 1.84033 35.159 -6.25497 GPRESSAVG: 3210600 44.7919 25.1984 1.76073 21.8515 -48.6907 32.2262 2.41955 37.0784 -7.44811 TIMING: 3210600 CPU: 9320.18, 0.0028685/step Wall: 9320.18, 0.0028685/step, 1.4258 hours remaining, 207.835938 MB of memory in use. ENERGY: 3210600 766.6200 1994.6512 1953.4092 108.6456 -206524.8533 17980.9296 0.0000 0.0000 34373.2462 -149347.3515 300.1901 -183720.5977 -149250.2843 298.9438 3.5854 32.7861 555011.7183 -3.7712 -3.7823 PRESSURE: 3210800 68.7356 54.21 -136.909 54.2111 54.2985 -8.80543 -136.909 -8.80483 268.982 GPRESSURE: 3210800 117.153 18.1079 -115.299 70.503 67.2823 -42.1067 -96.5304 4.39991 301.046 PRESSAVG: 3210800 13.8143 -45.5816 56.8336 -45.5815 -97.6225 -5.86893 56.8335 -5.86895 71.4647 GPRESSAVG: 3210800 15.4557 -49.4519 56.2486 -43.8786 -99.2569 -3.71849 55.5931 -6.90366 71.6061 TIMING: 3210800 CPU: 9320.75, 0.00285725/step Wall: 9320.75, 0.00285725/step, 1.42005 hours remaining, 207.835938 MB of memory in use. ENERGY: 3210800 758.5086 2055.0011 1976.8351 118.9365 -206505.5974 18078.5480 0.0000 0.0000 34116.4469 -149401.3212 297.9474 -183517.7681 -149305.1874 298.9507 130.6719 161.8272 557165.8176 -4.1145 -4.0650 PRESSURE: 3211000 109.302 -23.7635 36.7104 -23.7645 -8.82973 -59.9968 36.7113 -60.0002 -125.912 GPRESSURE: 3211000 176.653 -35.5094 91.8539 -43.1451 20.8422 -95.8192 30.3081 -23.3428 -113.176 PRESSAVG: 3211000 2.67093 -13.5057 -8.07674 -13.5057 -5.06522 -23.0246 -8.07676 -23.0247 -17.4196 GPRESSAVG: 3211000 1.0453 -12.891 -7.60238 -13.9963 -3.5759 -24.195 -7.79307 -23.9922 -16.9735 TIMING: 3211000 CPU: 9321.33, 0.00285834/step Wall: 9321.33, 0.00285834/step, 1.42044 hours remaining, 207.835938 MB of memory in use. ENERGY: 3211000 731.3494 2091.6383 1951.7124 110.1291 -206458.8985 17786.5632 0.0000 0.0000 34352.6903 -149434.8157 300.0106 -183787.5060 -149339.3086 298.6236 -8.4798 28.1063 556835.8420 -6.6046 -6.5014 PRESSURE: 3211200 -77.1937 -33.7849 152.922 -33.7857 38.8601 -106.11 152.922 -106.11 -23.8356 GPRESSURE: 3211200 -112.272 -58.9283 191.046 -68.2577 55.4276 -75.8246 145.394 -72.9177 81.2217 PRESSAVG: 3211200 -13.8028 13.2023 -1.88433 13.2022 -26.9876 -7.49943 -1.88432 -7.49943 52.4046 GPRESSAVG: 3211200 -13.1005 12.0481 -2.08913 13.1149 -28.4139 -7.04533 -1.87314 -6.80068 53.1076 TIMING: 3211200 CPU: 9321.9, 0.00289747/step Wall: 9321.9, 0.00289747/step, 1.43972 hours remaining, 207.835938 MB of memory in use. ENERGY: 3211200 762.7128 2168.9546 1948.8518 106.4869 -206477.5743 18009.0404 0.0000 0.0000 34239.5108 -149242.0169 299.0222 -183481.5278 -149146.1847 299.1911 -20.7231 8.1259 557608.8108 3.8714 3.8644 PRESSURE: 3211400 0.198834 217.512 -72.8869 217.513 231.976 30.8801 -72.8875 30.8816 -105.971 GPRESSURE: 3211400 5.16091 205.181 -67.0042 175.512 282.789 60.1819 19.0701 64.3767 -58.8936 PRESSAVG: 3211400 -29.3189 15.5878 -13.8096 15.5877 27.4937 34.0518 -13.8095 34.0518 -26.7969 GPRESSAVG: 3211400 -29.4513 16.2762 -13.7814 15.1972 27.869 34.3623 -13.994 31.9855 -27.1401 TIMING: 3211400 CPU: 9322.48, 0.0028801/step Wall: 9322.48, 0.0028801/step, 1.43093 hours remaining, 207.835938 MB of memory in use. ENERGY: 3211400 766.1270 2074.3233 1988.3434 115.3066 -206613.7542 17921.8515 0.0000 0.0000 34172.5116 -149575.2907 298.4370 -183747.8024 -149475.4789 298.4579 42.0679 76.3519 556393.0427 -9.5407 -9.5742 PRESSURE: 3211600 220.953 41.3968 -163.435 41.3973 202.362 -23.821 -163.435 -23.8226 131.929 GPRESSURE: 3211600 219.917 24.7815 -138.132 19.9323 235.944 -102.193 -217.67 -17.7251 185.767 PRESSAVG: 3211600 -7.70972 23.0042 -31.4792 23.0042 11.2953 -61.6972 -31.4792 -61.6973 -1.26093 GPRESSAVG: 3211600 -7.6395 23.8885 -31.5471 24.4606 12.3179 -60.4616 -30.9463 -60.0939 -2.45223 TIMING: 3211600 CPU: 9323.06, 0.00289078/step Wall: 9323.06, 0.00289078/step, 1.43608 hours remaining, 207.835938 MB of memory in use. ENERGY: 3211600 764.1240 2103.8029 1969.5789 114.1734 -206894.7128 18236.8001 0.0000 0.0000 34212.5392 -149493.6943 298.7866 -183706.2335 -149391.4345 298.4197 185.0815 213.8761 555643.2772 0.7749 0.7421 PRESSURE: 3211800 -16.2023 -78.0096 125.507 -78.009 -311.156 36.6654 125.507 36.6658 -284.396 GPRESSURE: 3211800 -5.30125 -77.0564 76.3506 -156.219 -289.04 -39.1862 142.484 90.2238 -226.34 PRESSAVG: 3211800 23.9176 -36.5229 -22.4006 -36.5229 34.0936 -10.7377 -22.4005 -10.7377 -54.6217 GPRESSAVG: 3211800 24.6351 -35.6037 -21.9843 -39.2787 33.6468 -11.7247 -22.2401 -11.3394 -54.8657 TIMING: 3211800 CPU: 9323.64, 0.00288008/step Wall: 9323.64, 0.00288008/step, 1.4306 hours remaining, 207.835938 MB of memory in use. ENERGY: 3211800 724.4948 2063.4278 1984.2441 133.6231 -206052.4157 17524.8725 0.0000 0.0000 34126.1063 -149495.6472 298.0318 -183621.7535 -149402.0835 297.9069 -203.9180 -173.5605 557742.5872 1.1298 1.1387 PRESSURE: 3212000 244.835 38.8704 -48.8321 38.8702 71.4161 33.6697 -48.8331 33.6699 -11.7724 GPRESSURE: 3212000 247.503 37.0886 -58.1132 48.0165 103.815 -64.5268 -0.396616 41.4094 48.9774 PRESSAVG: 3212000 14.9495 -1.41874 -15.5018 -1.41872 18.0158 -45.4166 -15.5018 -45.4165 -11.5672 GPRESSAVG: 3212000 14.4275 -2.53983 -17.5433 1.96354 17.6217 -45.3036 -13.3354 -44.7077 -10.9998 TIMING: 3212000 CPU: 9324.22, 0.00291446/step Wall: 9324.22, 0.00291446/step, 1.44751 hours remaining, 207.835938 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: 3212000 715.1463 2085.3978 1985.5928 109.9231 -206571.5780 18033.6740 0.0000 0.0000 34154.6905 -149487.1534 298.2814 -183641.8439 -149383.1339 298.3113 101.4930 133.4319 556328.1578 7.1327 7.0165 PRESSURE: 3212200 -23.5917 110.517 99.3371 110.516 -64.2905 -246.635 99.3373 -246.634 158.633 GPRESSURE: 3212200 18.1264 52.3899 130.924 100.96 9.06482 -259.036 114.264 -198.781 150.508 PRESSAVG: 3212200 -25.6451 13.1226 4.27769 13.1226 29.6026 -1.18293 4.27774 -1.18278 1.59785 GPRESSAVG: 3212200 -25.3638 12.8658 5.50135 10.3269 28.8554 -1.04196 3.94646 -1.326 2.16523 TIMING: 3212200 CPU: 9324.8, 0.00291389/step Wall: 9324.8, 0.00291389/step, 1.44707 hours remaining, 207.835938 MB of memory in use. ENERGY: 3212200 759.1145 2116.7606 1948.4211 104.8623 -206252.2087 17806.9219 0.0000 0.0000 34179.5431 -149336.5853 298.4985 -183516.1284 -149239.6823 299.0490 23.5836 59.2329 557096.2755 1.8518 1.8856 LDB: ============= START OF LOAD BALANCING ============== 9328.27 LDB: ============== END OF LOAD BALANCING =============== 9328.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9328.27 LDB: ============= START OF LOAD BALANCING ============== 9328.56 LDB: Largest compute 4820 load 0.028298 is 24.0% of average load 0.117859 LDB: Average compute 0.001717 is 1.5% of average load 0.117859 LDB: TIME 9328.56 LOAD: AVG 0.117859 MAX 0.177833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.148 MB LDB: TIME 9328.56 LOAD: AVG 0.117859 MAX 0.177833 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: TIME 9328.56 LOAD: AVG 0.117859 MAX 0.177833 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9328.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9328.56 PRESSURE: 3212400 -170.97 -270.67 187.319 -270.671 44.061 119.541 187.32 119.541 -176.16 GPRESSURE: 3212400 -122.637 -317.201 159.227 -266.311 106.39 79.9691 225.691 118.34 -184.919 PRESSAVG: 3212400 -67.11 25.2854 35.4338 25.2854 76.902 35.0724 35.4338 35.0724 -6.91359 GPRESSAVG: 3212400 -67.3498 24.3638 34.5575 26.0793 77.7711 35.9127 33.8563 34.7636 -7.05842 TIMING: 3212400 CPU: 9325.39, 0.00294268/step Wall: 9325.39, 0.00294268/step, 1.46121 hours remaining, 205.890625 MB of memory in use. ENERGY: 3212400 793.5877 2075.3270 1987.2071 128.5225 -206282.7583 17773.0235 0.0000 0.0000 34261.5941 -149263.4964 299.2150 -183525.0905 -149177.3374 300.0470 -101.0230 -67.0554 556111.4335 0.9595 1.1210 PRESSURE: 3212600 98.5546 -60.0818 -195.514 -60.0823 -180.579 42.9176 -195.514 42.9172 -181.334 GPRESSURE: 3212600 104.624 -24.7416 -201.031 14.0356 -130.135 -46.6377 -157.249 12.6751 -152.158 PRESSAVG: 3212600 -18.275 -74.5911 -15.076 -74.5911 9.47732 24.35 -15.0761 24.3501 -13.7742 GPRESSAVG: 3212600 -18.4494 -73.6325 -15.2388 -74.5645 9.94494 23.666 -13.7368 24.0526 -14.8054 TIMING: 3212600 CPU: 9325.97, 0.00288131/step Wall: 9325.97, 0.00288131/step, 1.43057 hours remaining, 205.890625 MB of memory in use. ENERGY: 3212600 701.8295 2145.6034 1953.8711 112.3462 -206066.0192 17704.0743 0.0000 0.0000 34188.7154 -149259.5793 298.5786 -183448.2947 -149162.9479 299.4027 -87.7860 -59.2229 557968.0067 -7.5240 -7.7700 PRESSURE: 3212800 135.934 111.205 48.4615 111.206 -262.416 -41.0616 48.4599 -41.0604 -225.94 GPRESSURE: 3212800 109.306 143.543 37.0663 25.9499 -166.072 -6.17367 32.3912 30.622 -204.848 PRESSAVG: 3212800 -10.5128 -22.879 -14.4379 -22.879 -18.2616 -16.2783 -14.438 -16.2781 8.87244 GPRESSAVG: 3212800 -10.256 -23.054 -12.9827 -22.9984 -19.5755 -17.1486 -16.2371 -15.3517 9.626 TIMING: 3212800 CPU: 9326.54, 0.00285601/step Wall: 9326.54, 0.00285601/step, 1.41785 hours remaining, 205.890625 MB of memory in use. ENERGY: 3212800 757.2994 2077.6566 1934.2339 110.1660 -206130.3103 17674.2860 0.0000 0.0000 34374.0332 -149202.6351 300.1970 -183576.6683 -149105.4536 298.6951 -117.4738 -87.2048 558426.3819 -6.6340 -6.7352 PRESSURE: 3213000 -84.8729 -145.776 -159.111 -145.776 170.069 29.0379 -159.11 29.038 137.808 GPRESSURE: 3213000 -59.6526 -45.9002 -112.228 -212.485 196.968 16.7341 -172.965 12.8578 184.876 PRESSAVG: 3213000 25.4528 11.4244 -30.6569 11.4244 -0.488507 -33.1355 -30.6569 -33.1355 49.1206 GPRESSAVG: 3213000 25.8324 10.0634 -30.6268 12.4795 -0.396176 -32.4716 -30.4988 -34.1305 48.3454 TIMING: 3213000 CPU: 9327.11, 0.00287643/step Wall: 9327.11, 0.00287643/step, 1.42783 hours remaining, 205.890625 MB of memory in use. ENERGY: 3213000 745.1718 2100.6762 1978.6250 112.3208 -206530.1663 18069.0627 0.0000 0.0000 34350.4764 -149173.8333 299.9913 -183524.3098 -149081.2407 298.9952 74.3346 107.3970 557835.7158 24.6950 24.5939 PRESSURE: 3213200 -179.468 37.9924 -34.256 37.9927 -55.2635 -107.885 -34.257 -107.883 -73.9883 GPRESSURE: 3213200 -130.796 -48.3124 -37.8882 15.1563 -6.66515 -104.384 -68.9238 -116.172 -65.55 PRESSAVG: 3213200 -0.63689 -15.6485 -57.68 -15.6485 -22.1128 46.8789 -57.6799 46.8788 5.39669 GPRESSAVG: 3213200 -2.4698 -14.7231 -57.471 -15.0929 -21.4342 45.961 -57.0705 46.5584 6.46496 TIMING: 3213200 CPU: 9327.7, 0.00291852/step Wall: 9327.7, 0.00291852/step, 1.44856 hours remaining, 205.890625 MB of memory in use. ENERGY: 3213200 750.2271 2020.8034 1977.6316 118.1813 -206002.3499 17714.7095 0.0000 0.0000 34333.6132 -149087.1838 299.8440 -183420.7970 -148991.9165 298.7742 -102.9067 -67.6704 558503.3724 -5.7843 -5.8130 PRESSURE: 3213400 227.61 -132.731 -174.982 -132.732 20.0345 -17.1791 -174.982 -17.1791 46.8639 GPRESSURE: 3213400 272.326 -127.449 -244.182 -146.926 43.9661 8.72595 -120.735 -7.22053 73.304 PRESSAVG: 3213400 27.6673 34.2052 -32.9013 34.2052 -3.33631 3.53447 -32.9014 3.53452 -17.8025 GPRESSAVG: 3213400 28.8336 35.2756 -33.3147 32.9515 -3.97514 4.70295 -32.238 3.64173 -18.8893 TIMING: 3213400 CPU: 9328.28, 0.00294266/step Wall: 9328.28, 0.00294266/step, 1.46038 hours remaining, 205.890625 MB of memory in use. ENERGY: 3213400 708.0638 2076.5175 1955.1773 111.1023 -206210.1172 17997.3625 0.0000 0.0000 34251.8839 -149110.0097 299.1302 -183361.8936 -149013.5610 299.3168 98.1695 129.8654 557102.8262 2.1762 1.9897 PRESSURE: 3213600 -64.969 25.9706 10.093 25.9709 186.56 134.925 10.0925 134.925 -69.7899 GPRESSURE: 3213600 22.2294 87.1805 -2.06152 73.9877 182.86 151.176 -43.0472 91.4073 -61.5441 PRESSAVG: 3213600 27.6748 15.4023 -15.5405 15.4023 9.71226 -19.3057 -15.5406 -19.3059 -31.2737 GPRESSAVG: 3213600 26.9957 15.3642 -15.2998 16.0423 9.1461 -18.6546 -16.1126 -18.8762 -30.7226 TIMING: 3213600 CPU: 9328.87, 0.00291725/step Wall: 9328.87, 0.00291725/step, 1.44761 hours remaining, 205.960938 MB of memory in use. ENERGY: 3213600 717.9037 2107.4300 1988.9142 120.8980 -206300.1580 17777.9540 0.0000 0.0000 34268.9366 -149318.1215 299.2791 -183587.0581 -149221.2064 299.1783 17.2672 47.8485 557528.5548 2.0378 1.8064 PRESSURE: 3213800 130.009 -47.0738 -14.7983 -47.0722 113.78 -16.4089 -14.7977 -16.4093 313.876 GPRESSURE: 3213800 164.333 -16.7815 44.9168 -66.6079 215.904 15.0688 -29.3511 -71.229 282.194 PRESSAVG: 3213800 32.6287 27.5126 -53.0343 27.5127 -62.9707 -36.6611 -53.0342 -36.6612 -8.87953 GPRESSAVG: 3213800 33.2727 25.6463 -52.9403 27.8513 -63.4709 -36.1192 -52.986 -36.7183 -8.67374 TIMING: 3213800 CPU: 9329.45, 0.00291351/step Wall: 9329.45, 0.00291351/step, 1.44559 hours remaining, 205.960938 MB of memory in use. ENERGY: 3213800 720.9019 2072.7709 1960.6411 109.8723 -206883.2649 18235.5816 0.0000 0.0000 34252.1015 -149531.3957 299.1321 -183783.4972 -149431.5339 298.1023 185.8881 220.8103 556764.7891 -13.0738 -12.9573 PRESSURE: 3214000 71.094 52.8494 71.5307 52.8499 -39.1468 -71.844 71.5315 -71.8448 -178.973 GPRESSURE: 3214000 148.852 80.2114 133.269 53.6315 -45.0891 -75.4569 -103.572 -94.3948 -156.194 PRESSAVG: 3214000 1.449 45.3139 -45.9097 45.3139 56.8155 -37.228 -45.9098 -37.2279 -32.9449 GPRESSAVG: 3214000 1.1862 47.2837 -45.8634 44.6313 57.1029 -36.7152 -46.5784 -39.1036 -33.2642 TIMING: 3214000 CPU: 9330.03, 0.00291159/step Wall: 9330.03, 0.00291159/step, 1.44447 hours remaining, 205.960938 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: 3214000 762.2622 2052.6167 1995.4277 128.4452 -206360.2488 17854.7320 0.0000 0.0000 33967.7624 -149599.0026 296.6489 -183566.7650 -149506.5018 298.3832 -49.0086 -17.4769 557646.2851 8.4399 8.3416 PRESSURE: 3214200 -259.095 71.1306 22.8671 71.1294 -42.6511 -9.45411 22.8675 -9.45452 130.251 GPRESSURE: 3214200 -247.222 39.733 151.663 26.2499 43.9903 -57.875 67.2742 -60.3794 132.365 PRESSAVG: 3214200 7.91231 38.2443 -20.8312 38.2444 -10.0189 -41.8928 -20.8312 -41.8927 18.576 GPRESSAVG: 3214200 7.8958 36.7091 -18.8582 39.8673 -9.53161 -42.9618 -20.2366 -39.9074 17.717 TIMING: 3214200 CPU: 9330.62, 0.00292218/step Wall: 9330.62, 0.00292218/step, 1.44956 hours remaining, 205.960938 MB of memory in use. ENERGY: 3214200 748.9216 2128.1868 1975.3986 128.9446 -206767.8967 17935.3674 0.0000 0.0000 34227.4855 -149623.5923 298.9171 -183851.0777 -149529.8297 298.0350 -57.1652 -23.6225 557969.4069 5.4898 5.3604 PRESSURE: 3214400 -359.638 -44.7759 -63.5224 -44.776 -159.802 -11.2173 -63.5225 -11.2168 -366.537 GPRESSURE: 3214400 -288.007 14.8856 -81.8788 -21.7388 -91.8323 -22.6547 -46.5188 -49.4919 -402.14 PRESSAVG: 3214400 -82.4668 14.0628 -37.9326 14.0627 -5.47326 -37.0081 -37.9327 -37.0081 74.1336 GPRESSAVG: 3214400 -83.5337 15.6988 -40.2486 12.0722 -5.51103 -36.7694 -38.7203 -37.9258 75.3179 TIMING: 3214400 CPU: 9331.2, 0.0029204/step Wall: 9331.2, 0.0029204/step, 1.44852 hours remaining, 205.960938 MB of memory in use. ENERGY: 3214400 784.3450 2064.5980 1958.0730 116.7224 -206171.2104 17617.4155 0.0000 0.0000 34053.4891 -149576.5674 297.3976 -183630.0565 -149482.8335 298.0047 -295.3260 -260.6599 558854.3864 -4.6022 -4.5756 PRESSURE: 3214600 115.411 -85.0348 51.9248 -85.0342 72.3382 167.656 51.9249 167.655 -117.403 GPRESSURE: 3214600 171.436 -65.9187 86.7236 -115.74 97.8224 181.148 7.32084 129.682 -111.345 PRESSAVG: 3214600 -59.7882 -41.8317 22.7418 -41.8317 22.3476 -13.941 22.7418 -13.9409 -9.32022 GPRESSAVG: 3214600 -59.8185 -42.6959 23.5404 -41.1742 23.123 -13.4648 23.4654 -15.1765 -10.5874 TIMING: 3214600 CPU: 9331.78, 0.00291406/step Wall: 9331.78, 0.00291406/step, 1.44521 hours remaining, 205.960938 MB of memory in use. ENERGY: 3214600 733.0069 2027.1649 1967.3192 105.2118 -206312.9675 17828.1212 0.0000 0.0000 34150.8799 -149501.2636 298.2481 -183652.1435 -149404.5765 297.6558 23.4485 52.6379 557311.7177 -15.5869 -15.7610 PRESSURE: 3214800 110.074 -82.2453 -138.139 -82.2443 -329.674 4.42382 -138.138 4.42339 -16.1847 GPRESSURE: 3214800 122.027 -52.5523 -136.803 -29.2146 -238.348 -104.253 -137.646 -8.32648 -37.499 PRESSAVG: 3214800 66.307 -17.9686 34.7457 -17.9686 -7.03188 2.90666 34.7456 2.9066 -49.8911 GPRESSAVG: 3214800 65.6394 -16.1021 35.5757 -20.1288 -8.52771 2.86684 33.5429 3.57705 -47.7379 TIMING: 3214800 CPU: 9332.37, 0.00293042/step Wall: 9332.37, 0.00293042/step, 1.45316 hours remaining, 205.960938 MB of memory in use. ENERGY: 3214800 746.2930 2073.8902 1952.8847 105.3714 -206216.0550 17809.2639 0.0000 0.0000 33978.2802 -149550.0715 296.7408 -183528.3517 -149457.1080 297.8115 -78.5951 -51.2733 558495.5809 3.1280 3.1246 PRESSURE: 3215000 250.658 95.4209 -85.305 95.4214 -156.269 6.32331 -85.3053 6.32528 -100.187 GPRESSURE: 3215000 183.54 83.469 -67.8086 84.3245 -45.1889 55.904 -49.3996 -25.5375 -61.5104 PRESSAVG: 3215000 47.7595 -15.805 45.6075 -15.805 -71.6488 -26.7898 45.6075 -26.7897 46.1703 GPRESSAVG: 3215000 47.6242 -16.9301 45.0087 -14.5524 -70.7397 -28.8309 47.2422 -24.8005 45.1831 TIMING: 3215000 CPU: 9332.95, 0.00291098/step Wall: 9332.95, 0.00291098/step, 1.44336 hours remaining, 205.960938 MB of memory in use. ENERGY: 3215000 715.5288 2013.4491 1971.7363 116.8746 -206223.3293 17880.3699 0.0000 0.0000 34108.3174 -149417.0532 297.8764 -183525.3706 -149320.9012 298.0304 -1.9327 25.6136 558090.4551 7.4270 7.3559 PRESSURE: 3215200 -31.3785 -62.7066 28.9668 -62.7065 -174.531 61.9729 28.9656 61.9732 -285.968 GPRESSURE: 3215200 22.5885 -73.2673 71.2182 -40.3159 -195.181 59.2808 44.4029 22.187 -218.252 PRESSAVG: 3215200 75.347 11.6542 48.2968 11.6542 -86.3623 1.40358 48.2968 1.40364 7.33129 GPRESSAVG: 3215200 75.7807 10.4669 48.4352 13.2902 -86.6136 1.01036 49.0472 2.30854 7.03881 TIMING: 3215200 CPU: 9333.53, 0.00289427/step Wall: 9333.53, 0.00289427/step, 1.43492 hours remaining, 205.960938 MB of memory in use. ENERGY: 3215200 747.2772 2022.0700 1969.6522 118.4707 -205892.6454 17455.7359 0.0000 0.0000 34317.9271 -149261.5123 299.7070 -183579.4394 -149161.4608 298.2498 -163.9591 -130.2817 557645.3559 -1.2280 -1.2647 PRESSURE: 3215400 140.064 -56.7699 -32.322 -56.7693 -84.9124 -22.7978 -32.3213 -22.7988 -38.949 GPRESSURE: 3215400 114.019 -88.168 -31.5904 -95.8352 -25.6747 19.6221 -87.422 -18.5689 13.8159 PRESSAVG: 3215400 -31.5771 -19.3969 0.99922 -19.3969 -10.5898 -47.9678 0.999228 -47.9679 32.3732 GPRESSAVG: 3215400 -31.4331 -19.4004 -0.325431 -19.7086 -11.7301 -47.8568 1.79066 -47.7721 33.1039 TIMING: 3215400 CPU: 9334.11, 0.00289988/step Wall: 9334.11, 0.00289988/step, 1.43753 hours remaining, 205.960938 MB of memory in use. ENERGY: 3215400 770.3982 1990.2286 1984.9193 115.0975 -205853.3590 17780.1985 0.0000 0.0000 34056.5370 -149155.9800 297.4242 -183212.5170 -149065.2046 298.6674 5.4009 34.0534 557594.1663 -3.2646 -3.3531 PRESSURE: 3215600 -57.9983 93.4066 166.033 93.4065 117.277 -127.191 166.034 -127.191 -79.0461 GPRESSURE: 3215600 -27.3697 7.62332 176.495 94.3652 156.369 -152.965 218.134 -88.7466 -47.2421 PRESSAVG: 3215600 -56.6753 -4.40331 -14.323 -4.40329 122.423 -46.709 -14.3229 -46.709 -6.38727 GPRESSAVG: 3215600 -55.5971 -3.44504 -13.5133 -5.11424 122.827 -45.8288 -15.3779 -47.2445 -7.38335 TIMING: 3215600 CPU: 9334.69, 0.0029021/step Wall: 9334.69, 0.0029021/step, 1.43847 hours remaining, 205.960938 MB of memory in use. ENERGY: 3215600 740.0585 2090.7640 1965.4421 114.7867 -206430.8785 17807.8801 0.0000 0.0000 34551.0846 -149160.8626 301.7432 -183711.9472 -149057.5651 299.1529 -6.5892 27.2524 556515.6615 19.7869 19.9489 PRESSURE: 3215800 -194.702 -18.4309 -7.10588 -18.431 157.853 -155.695 -7.10526 -155.695 13.6175 GPRESSURE: 3215800 -152.157 -112.434 40.1994 25.0447 164.307 -171.821 -51.7505 -85.5523 72.6783 PRESSAVG: 3215800 34.3209 -14.8908 13.8913 -14.8907 -35.6078 -51.6331 13.8913 -51.6333 -12.6415 GPRESSAVG: 3215800 33.8016 -16.482 14.0335 -12.2651 -35.4161 -49.2716 13.1444 -54.4387 -12.396 TIMING: 3215800 CPU: 9335.27, 0.00288954/step Wall: 9335.27, 0.00288954/step, 1.43209 hours remaining, 205.960938 MB of memory in use. ENERGY: 3215800 727.2150 2116.8492 1982.7086 111.5039 -206247.5432 17688.6006 0.0000 0.0000 34321.0093 -149299.6566 299.7339 -183620.6659 -149207.2175 299.1621 -7.7439 28.2760 557905.5471 -4.6428 -4.6702 PRESSURE: 3216000 172.962 -6.37296 -48.5089 -6.37137 -156.148 173.382 -48.5087 173.383 267.981 GPRESSURE: 3216000 209.892 -24.7207 -73.9686 8.78037 -109.897 141.731 25.8986 170.021 290.846 PRESSAVG: 3216000 -16.3333 29.5078 -23.8129 29.5079 34.1053 22.4122 -23.8129 22.4122 10.1092 GPRESSAVG: 3216000 -16.7305 29.7837 -22.9484 27.1475 34.8906 21.3653 -24.0055 23.8563 9.79561 TIMING: 3216000 CPU: 9335.84, 0.00286176/step Wall: 9335.84, 0.00286176/step, 1.41816 hours remaining, 205.960938 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: 3216000 767.2765 2061.0017 1979.0766 109.0761 -206471.3107 18097.8107 0.0000 0.0000 34223.9690 -149233.1001 298.8864 -183457.0691 -149131.6209 298.6938 94.9317 130.2806 557577.9112 9.2937 9.3185 PRESSURE: 3216200 -102.419 109.261 33.005 109.26 -66.8778 -26.6481 33.0046 -26.6494 -75.2822 GPRESSURE: 3216200 -96.5328 102.745 178.551 90.8986 -36.6818 39.0072 -46.859 -10.419 -34.8683 PRESSAVG: 3216200 -42.0404 -17.4782 -28.5401 -17.4782 -14.4873 7.23777 -28.5401 7.23791 40.7246 GPRESSAVG: 3216200 -40.103 -16.735 -27.1264 -17.3558 -17.8136 8.53375 -28.0639 7.97582 42.0796 TIMING: 3216200 CPU: 9336.42, 0.00287006/step Wall: 9336.42, 0.00287006/step, 1.42211 hours remaining, 205.960938 MB of memory in use. ENERGY: 3216200 754.6196 2076.9893 1986.3110 109.3009 -206184.6044 17707.5672 0.0000 0.0000 34168.5965 -149381.2199 298.4029 -183549.8165 -149282.6515 298.2931 -81.5263 -56.0276 557303.7606 -5.2677 -5.2790 LDB: ============= START OF LOAD BALANCING ============== 9339.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9339.88 LDB: =============== DONE WITH MIGRATION ================ 9339.88 LDB: ============= START OF LOAD BALANCING ============== 9340.17 LDB: Largest compute 4820 load 0.028235 is 24.0% of average load 0.117822 LDB: Average compute 0.001711 is 1.5% of average load 0.117822 LDB: TIME 9340.17 LOAD: AVG 0.117822 MAX 0.175815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.656 MB LDB: TIME 9340.17 LOAD: AVG 0.117822 MAX 0.175815 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: TIME 9340.17 LOAD: AVG 0.117822 MAX 0.175815 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9340.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9340.18 PRESSURE: 3216400 -20.1996 7.70923 34.4398 7.71024 -6.09217 -126.965 34.4393 -126.965 -38.4322 GPRESSURE: 3216400 12.6113 -5.18046 38.7691 -8.72152 53.4289 -55.6942 -14.8517 -145.389 -44.9275 PRESSAVG: 3216400 -9.68002 -28.9789 -2.71144 -28.9789 75.2926 -51.4003 -2.71141 -51.4002 -69.7419 GPRESSAVG: 3216400 -10.4401 -30.9176 -6.84015 -27.6667 76.404 -51.9415 -1.09649 -52.7526 -70.0743 TIMING: 3216400 CPU: 9337, 0.00294509/step Wall: 9337, 0.00294509/step, 1.45913 hours remaining, 205.687500 MB of memory in use. ENERGY: 3216400 746.7718 2155.8318 1942.9934 105.7273 -206122.3918 17844.3958 0.0000 0.0000 34009.8613 -149316.8104 297.0166 -183326.6717 -149225.2101 299.0528 -21.5747 7.0376 558087.6835 -1.3764 -1.3701 PRESSURE: 3216600 -205.703 286.118 97.0872 286.12 17.1306 166.896 97.0875 166.896 -93.37 GPRESSURE: 3216600 -182.184 332.606 119.603 275.207 -2.44347 190.614 -35.1735 138.614 5.89496 PRESSAVG: 3216600 -20.6901 13.114 24.9075 13.1139 37.9222 32.6252 24.9075 32.6252 -28.8508 GPRESSAVG: 3216600 -20.1146 16.3105 25.8878 10.8598 37.9482 33.1895 22.1508 33.6325 -29.1982 TIMING: 3216600 CPU: 9337.59, 0.0029147/step Wall: 9337.59, 0.0029147/step, 1.44391 hours remaining, 205.890625 MB of memory in use. ENERGY: 3216600 750.8578 2154.4533 1949.8131 121.0138 -206332.1049 17724.8150 0.0000 0.0000 34339.0817 -149292.0701 299.8917 -183631.1518 -149205.3295 298.1650 -93.9809 -59.5774 557612.6931 -3.8729 -3.7882 PRESSURE: 3216800 211.35 -0.740226 -27.3162 -0.739288 -51.5946 -76.3692 -27.3145 -76.3695 117.638 GPRESSURE: 3216800 189.705 -51.1232 -86.9214 -13.45 -5.10158 -87.6873 -58.1368 5.51135 195.462 PRESSAVG: 3216800 -17.3091 56.9189 5.50367 56.9189 8.39114 34.3062 5.50361 34.3063 12.4439 GPRESSAVG: 3216800 -16.5869 55.4866 7.68024 59.4103 7.96934 32.5181 5.4412 34.3667 11.8431 TIMING: 3216800 CPU: 9338.17, 0.00290782/step Wall: 9338.17, 0.00290782/step, 1.44034 hours remaining, 205.890625 MB of memory in use. ENERGY: 3216800 745.7670 2109.1697 1973.8846 124.0294 -206431.8388 18008.6906 0.0000 0.0000 34276.8890 -149193.4085 299.3486 -183470.2975 -149099.8014 298.9288 92.4645 126.6884 558454.3247 1.1753 1.0752 PRESSURE: 3217000 -227.836 -29.567 138.436 -29.5662 -393.642 24.1295 138.436 24.1307 -314.718 GPRESSURE: 3217000 -276.08 -31.9527 99.578 -8.30136 -370.425 -46.4978 111.747 4.59224 -194.116 PRESSAVG: 3217000 36.6549 -37.0148 -14.4638 -37.0149 -69.1444 1.98503 -14.4638 1.98504 32.8009 GPRESSAVG: 3217000 35.1868 -36.5325 -16.0216 -39.0968 -69.0243 0.941135 -14.1716 4.05503 34.1254 TIMING: 3217000 CPU: 9338.75, 0.00289988/step Wall: 9338.75, 0.00289988/step, 1.43625 hours remaining, 205.890625 MB of memory in use. ENERGY: 3217000 787.9998 2099.2042 1968.7128 118.5493 -205905.0901 17453.8783 0.0000 0.0000 34415.8035 -149060.9422 300.5618 -183476.7458 -148962.8701 300.3217 -312.0652 -280.2068 558034.6608 0.1038 0.0960 PRESSURE: 3217200 -297.744 125.485 177.614 125.485 -57.1263 -54.6842 177.613 -54.6834 -139.483 GPRESSURE: 3217200 -212.317 158.596 144.597 92.847 -44.0749 -8.5313 203.656 -3.10172 -128.596 PRESSAVG: 3217200 -13.0025 13.5976 45.0606 13.5977 19.6508 -2.63972 45.0607 -2.63976 30.8754 GPRESSAVG: 3217200 -12.1217 14.9418 44.722 14.2365 19.8941 -0.935038 45.4087 -4.07121 30.021 TIMING: 3217200 CPU: 9339.33, 0.00289991/step Wall: 9339.33, 0.00289991/step, 1.4361 hours remaining, 205.890625 MB of memory in use. ENERGY: 3217200 752.9107 2083.3143 1951.8011 117.8007 -206204.4564 17664.0223 0.0000 0.0000 34524.1463 -149110.4611 301.5080 -183634.6074 -149017.5994 300.0061 -164.7846 -128.3293 557859.4545 12.5079 12.5978 PRESSURE: 3217400 -221.929 6.25528 10.1431 6.25666 -303.801 -114.034 10.1412 -114.03 -88.1003 GPRESSURE: 3217400 -201.31 39.2887 48.3506 -38.5025 -223.265 -178.918 21.649 -78.3725 -75.8781 PRESSAVG: 3217400 29.8264 -61.7916 -40.1808 -61.7916 -25.9685 -1.06888 -40.1809 -1.0688 -20.2336 GPRESSAVG: 3217400 28.4596 -63.052 -40.1925 -62.3406 -24.1828 -2.57823 -39.9725 -1.76341 -20.4697 TIMING: 3217400 CPU: 9339.91, 0.00289335/step Wall: 9339.91, 0.00289335/step, 1.43269 hours remaining, 205.890625 MB of memory in use. ENERGY: 3217400 744.4422 2086.2914 1973.7367 119.7985 -206158.0469 17782.7150 0.0000 0.0000 34315.2348 -149135.8284 299.6835 -183451.0631 -149045.3518 299.0748 -204.6104 -166.8175 560627.2374 -5.4585 -5.3976 PRESSURE: 3217600 75.9543 -116.87 -152.026 -116.87 -82.013 -28.5575 -152.026 -28.5586 -49.793 GPRESSURE: 3217600 137.752 -61.5323 -49.3892 -163.223 -91.4059 -21.4515 -250.064 -88.5907 -26.1664 PRESSAVG: 3217600 19.9548 -25.0962 -31.9042 -25.0963 -7.01366 -53.7954 -31.9042 -53.7955 -15.5747 GPRESSAVG: 3217600 20.8555 -26.8654 -31.8828 -23.7948 -7.55916 -52.5349 -32.2345 -53.4533 -16.0362 TIMING: 3217600 CPU: 9340.49, 0.00288563/step Wall: 9340.49, 0.00288563/step, 1.42871 hours remaining, 205.890625 MB of memory in use. ENERGY: 3217600 722.1523 2105.8353 1991.7084 120.4106 -206170.5782 17936.1109 0.0000 0.0000 34180.8606 -149113.5001 298.5100 -183294.3607 -149006.1515 299.0692 -18.6173 6.7266 557956.8904 -0.8778 -0.9133 PRESSURE: 3217800 -28.5404 157.704 -82.5869 157.704 -433.978 -38.4028 -82.5877 -38.4026 -152.311 GPRESSURE: 3217800 30.7621 63.2185 14.3456 173.745 -382.267 49.0076 -104.263 -178.214 -166.23 PRESSAVG: 3217800 60.615 -32.1195 28.1742 -32.1195 3.52585 -36.8008 28.1743 -36.8008 -51.2194 GPRESSAVG: 3217800 60.5119 -31.2161 27.8198 -31.1101 2.72464 -33.9987 27.6884 -36.6936 -50.9495 TIMING: 3217800 CPU: 9341.06, 0.00286612/step Wall: 9341.06, 0.00286612/step, 1.41889 hours remaining, 205.890625 MB of memory in use. ENERGY: 3217800 746.4064 2113.4623 1944.1343 102.1210 -205787.2202 17542.1311 0.0000 0.0000 34138.6429 -149200.3222 298.1413 -183338.9651 -149109.7543 298.6222 -204.9430 -172.5783 557452.6350 4.3072 4.0957 PRESSURE: 3218000 136.883 42.2953 -6.17228 42.2958 55.959 -85.8721 -6.17259 -85.8717 212.44 GPRESSURE: 3218000 136.195 5.48797 9.36877 67.0332 141.896 -78.1373 -17.1304 -62.4152 231.931 PRESSAVG: 3218000 2.4049 -1.86908 -34.819 -1.86902 -33.443 -9.9485 -34.8189 -9.9485 15.3689 GPRESSAVG: 3218000 3.01452 -3.04283 -33.5388 -3.27332 -34.0386 -12.6638 -36.011 -7.50032 15.55 TIMING: 3218000 CPU: 9341.63, 0.00286397/step Wall: 9341.63, 0.00286397/step, 1.41767 hours remaining, 205.890625 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: 3218000 701.8919 2062.5197 1972.6185 106.0470 -206127.4661 18003.6970 0.0000 0.0000 34126.0461 -149154.6458 298.0312 -183280.6919 -149066.0729 298.6809 135.0943 170.0074 558636.0770 -5.2231 -5.1580 PRESSURE: 3218200 -115.709 -80.6899 57.1011 -80.6889 -122.066 -70.6539 57.1002 -70.6537 -122.966 GPRESSURE: 3218200 -90.9751 -67.7607 47.3447 -100.047 -98.3583 -57.6599 -4.14357 -185.104 -78.9368 PRESSAVG: 3218200 -21.1795 24.9454 -15.5454 24.9454 63.2401 3.96603 -15.5454 3.96606 -58.9312 GPRESSAVG: 3218200 -21.4662 25.2799 -16.1355 25.0537 63.6558 3.27416 -14.933 1.41648 -58.7726 TIMING: 3218200 CPU: 9342.21, 0.00290213/step Wall: 9342.21, 0.00290213/step, 1.43639 hours remaining, 205.890625 MB of memory in use. ENERGY: 3218200 743.0578 2057.8083 1979.6289 99.1919 -206297.4992 17858.8918 0.0000 0.0000 34427.3989 -149131.5216 300.6630 -183558.9205 -149038.1789 299.2509 -120.2469 -89.4234 559546.4495 -5.6235 -5.5277 PRESSURE: 3218400 176.724 -193.356 31.1294 -193.357 -313.087 46.5113 31.1294 46.5112 -289.091 GPRESSURE: 3218400 155.207 -154.525 -10.3779 -206.47 -240.895 4.49637 -67.6012 13.3895 -228.388 PRESSAVG: 3218400 -19.5343 -30.7976 4.29582 -30.7977 54.3959 9.50111 4.29583 9.50107 -56.7934 GPRESSAVG: 3218400 -19.6363 -31.1408 2.46449 -31.6135 54.7166 11.8828 6.10142 10.9106 -57.0421 TIMING: 3218400 CPU: 9342.79, 0.00291484/step Wall: 9342.79, 0.00291484/step, 1.44252 hours remaining, 205.890625 MB of memory in use. ENERGY: 3218400 752.8656 2108.4254 1973.2411 101.6390 -205913.7215 17599.4918 0.0000 0.0000 34323.9163 -149054.1423 299.7593 -183378.0586 -148958.8462 299.8316 -141.8182 -104.6923 558778.4257 -7.3106 -7.3206 PRESSURE: 3218600 41.5188 51.3219 -17.4056 51.3213 99.6558 1.83823 -17.4062 1.83738 -28.2135 GPRESSURE: 3218600 58.4359 -52.418 -74.1987 92.7458 123.286 -8.912 -62.5463 -6.42222 33.2194 PRESSAVG: 3218600 7.95768 32.6063 -58.8548 32.6063 -16.8302 -27.9044 -58.8549 -27.9044 15.3626 GPRESSAVG: 3218600 7.4669 31.9717 -58.1881 33.1673 -16.3123 -27.3941 -60.6047 -28.6809 15.2641 TIMING: 3218600 CPU: 9343.37, 0.00288648/step Wall: 9343.37, 0.00288648/step, 1.42833 hours remaining, 205.890625 MB of memory in use. ENERGY: 3218600 686.3711 2123.5869 1963.9290 105.1519 -205667.4161 17580.6804 0.0000 0.0000 34118.3888 -149089.3080 297.9644 -183207.6969 -148994.0706 299.3617 37.6537 71.6470 558008.4295 2.1634 2.1396 PRESSURE: 3218800 -271.075 -26.0137 46.5405 -26.0139 -145.069 -113.673 46.5412 -113.674 -25.0465 GPRESSURE: 3218800 -297.409 -6.99692 16.0524 -147.312 -91.2254 -158.45 72.4356 -54.5601 33.2903 PRESSAVG: 3218800 -24.8307 -43.4292 13.176 -43.4291 51.9122 -28.3679 13.176 -28.368 -47.2346 GPRESSAVG: 3218800 -24.4059 -42.714 12.8542 -43.7368 51.7818 -29.2495 13.5594 -28.2994 -47.2279 TIMING: 3218800 CPU: 9343.95, 0.00291455/step Wall: 9343.95, 0.00291455/step, 1.44205 hours remaining, 205.890625 MB of memory in use. ENERGY: 3218800 733.3998 2089.8561 1961.4849 112.0223 -205944.7234 17472.3536 0.0000 0.0000 34142.6279 -149432.9787 298.1761 -183575.6066 -149331.1460 298.5710 -147.0632 -118.4481 557961.9985 -6.7177 -6.6173 PRESSURE: 3219000 7.03496 100.959 191.536 100.958 234.831 32.5589 191.536 32.5582 -132.404 GPRESSURE: 3219000 35.14 60.4508 170.727 77.5076 218.155 131.607 142.264 64.3941 -49.0415 PRESSAVG: 3219000 -32.5326 -0.529207 -56.9356 -0.529174 99.6653 -43.579 -56.9356 -43.5791 -81.0467 GPRESSAVG: 3219000 -32.294 -1.07404 -55.3573 1.45154 99.5048 -41.9025 -56.8754 -45.5147 -80.638 TIMING: 3219000 CPU: 9344.53, 0.00290004/step Wall: 9344.53, 0.00290004/step, 1.43471 hours remaining, 205.890625 MB of memory in use. ENERGY: 3219000 744.1400 2093.6193 1975.0215 114.5896 -206052.5239 17861.1328 0.0000 0.0000 33881.4190 -149382.6017 295.8949 -183264.0207 -149291.3511 298.5601 36.4873 68.0844 557597.9007 -4.6380 -4.4757 PRESSURE: 3219200 366.727 166.802 -14.7019 166.803 279.433 -100.64 -14.7009 -100.64 195.088 GPRESSURE: 3219200 404.115 205.133 0.377076 146.768 253.89 7.01034 -5.83721 -110.501 280.006 PRESSAVG: 3219200 -6.72071 2.27445 -8.44315 2.2745 7.05566 -24.2085 -8.44319 -24.2083 -45.2484 GPRESSAVG: 3219200 -6.21612 3.28386 -7.52853 1.82722 7.95712 -26.2417 -9.86349 -22.7294 -46.3739 TIMING: 3219200 CPU: 9345.12, 0.00291134/step Wall: 9345.12, 0.00291134/step, 1.44014 hours remaining, 205.890625 MB of memory in use. ENERGY: 3219200 739.9597 2003.7597 1994.0338 116.9667 -206824.2634 18320.5464 0.0000 0.0000 34390.5120 -149258.4850 300.3409 -183648.9970 -149166.7532 298.8143 280.4163 312.6704 555496.1986 -14.9711 -14.8777 PRESSURE: 3219400 142.231 68.839 116.323 68.8387 20.1917 28.1699 116.324 28.1694 -345.248 GPRESSURE: 3219400 136.483 66.5569 114.954 56.6626 85.5419 -48.9947 102.717 55.6687 -311.965 PRESSAVG: 3219400 34.6085 -44.203 -6.27724 -44.2031 35.5931 -15.4399 -6.27724 -15.4399 -89.6474 GPRESSAVG: 3219400 34.5132 -44.0753 -8.81574 -46.1987 35.6035 -13.8112 -4.2664 -14.8282 -89.6809 TIMING: 3219400 CPU: 9345.7, 0.00289248/step Wall: 9345.7, 0.00289248/step, 1.43065 hours remaining, 205.890625 MB of memory in use. ENERGY: 3219400 720.2333 2129.9329 1956.1574 121.8718 -206001.8078 17571.7385 0.0000 0.0000 34280.0768 -149221.7970 299.3764 -183501.8738 -149128.9444 299.3866 -60.9421 -29.9800 558153.8574 -6.4819 -6.5214 PRESSURE: 3219600 228.652 44.4835 12.3751 44.4835 -201.553 58.1228 12.3746 58.1221 148.556 GPRESSURE: 3219600 250.592 49.6289 115.682 -45.3605 -205.95 31.3925 -82.7475 96.542 216.099 PRESSAVG: 3219600 -15.7075 -0.0710126 57.0927 -0.0709542 22.8035 -69.2959 57.0927 -69.2958 -44.8786 GPRESSAVG: 3219600 -17.2105 0.227968 57.688 -1.68925 23.3185 -69.2196 57.1566 -70.6603 -44.1572 TIMING: 3219600 CPU: 9346.27, 0.0028873/step Wall: 9346.27, 0.0028873/step, 1.42793 hours remaining, 205.890625 MB of memory in use. ENERGY: 3219600 760.7780 2069.5855 1955.9867 131.6347 -206521.2111 18033.3182 0.0000 0.0000 34532.5401 -149037.3679 301.5813 -183569.9080 -148941.1424 299.9173 58.5518 86.9135 557495.7125 -12.5942 -12.6831 PRESSURE: 3219800 -123.387 135.406 203.863 135.406 -280.396 35.5862 203.864 35.5851 -110.085 GPRESSURE: 3219800 -117.139 78.1877 210.367 113.426 -203.898 65.6473 241.915 -15.2871 -91.1716 PRESSAVG: 3219800 -12.9839 -4.41376 24.5836 -4.41385 10.6045 26.6984 24.5836 26.6984 2.91684 GPRESSAVG: 3219800 -10.4206 -4.85253 26.0592 -5.20325 9.56876 27.7214 23.4886 25.2559 1.81687 TIMING: 3219800 CPU: 9346.85, 0.00287715/step Wall: 9346.85, 0.00287715/step, 1.42275 hours remaining, 205.890625 MB of memory in use. ENERGY: 3219800 769.9073 2069.9534 1966.5389 112.2766 -205883.8263 17617.1380 0.0000 0.0000 34093.6310 -149254.3812 297.7482 -183348.0121 -149157.6028 299.8759 -171.2891 -137.4028 558271.2317 0.1792 0.3217 PRESSURE: 3220000 -89.6149 -78.6533 270.391 -78.6533 -187.983 80.4656 270.39 80.466 -181.947 GPRESSURE: 3220000 -104.72 -63.4759 282.724 21.7131 -133.166 22.878 223.877 74.2326 -131.89 PRESSAVG: 3220000 14.9026 -88.1625 33.9052 -88.1626 -88.5929 -22.7409 33.9052 -22.7409 54.3559 GPRESSAVG: 3220000 15.4153 -88.5045 32.458 -84.7697 -88.4147 -25.7337 33.7013 -20.0815 54.447 TIMING: 3220000 CPU: 9347.43, 0.00289333/step Wall: 9347.43, 0.00289333/step, 1.43059 hours remaining, 205.890625 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: 3220000 711.4380 2056.3696 1972.7502 102.1889 -206030.6444 17676.5879 0.0000 0.0000 34169.5252 -149341.7846 298.4110 -183511.3098 -149235.8386 299.1404 -153.1815 -123.2583 559224.4365 -6.4448 -6.1841 PRESSURE: 3220200 -188.683 -115.361 174.679 -115.363 -47.5499 145.464 174.678 145.464 -56.9718 GPRESSURE: 3220200 -163.865 -105.561 230.44 -58.1224 25.6691 134.072 138.158 120.95 -52.3648 PRESSAVG: 3220200 -86.1907 -47.6884 35.9562 -47.6883 13.329 -28.893 35.9562 -28.893 104.113 GPRESSAVG: 3220200 -86.9336 -45.485 37.3409 -48.3121 12.3401 -27.9832 35.826 -28.7921 105.733 TIMING: 3220200 CPU: 9348.01, 0.00290263/step Wall: 9348.01, 0.00290263/step, 1.43503 hours remaining, 205.890625 MB of memory in use. ENERGY: 3220200 760.8311 2070.6261 1950.5000 117.1680 -206264.0408 17876.5062 0.0000 0.0000 34340.7129 -149147.6965 299.9060 -183488.4094 -149049.6097 298.7655 -97.7351 -63.5202 558774.8069 10.4170 10.3798 LDB: ============= START OF LOAD BALANCING ============== 9351.47 LDB: ============== END OF LOAD BALANCING =============== 9351.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9351.47 LDB: ============= START OF LOAD BALANCING ============== 9351.76 LDB: Largest compute 4848 load 0.028748 is 24.4% of average load 0.117749 LDB: Average compute 0.001708 is 1.5% of average load 0.117749 LDB: TIME 9351.76 LOAD: AVG 0.117749 MAX 0.178141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.762 MB LDB: TIME 9351.76 LOAD: AVG 0.117749 MAX 0.178141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.895 MB LDB: TIME 9351.76 LOAD: AVG 0.117749 MAX 0.178141 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.895 MB LDB: ============== END OF LOAD BALANCING =============== 9351.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9351.77 PRESSURE: 3220400 213.549 -86.9148 -26.3578 -86.9152 -224.326 10.8301 -26.358 10.831 -181.168 GPRESSURE: 3220400 248.062 -18.5006 -95.7392 -36.2726 -163.113 36.1866 8.65007 -42.1344 -177.068 PRESSAVG: 3220400 -12.7197 -25.5871 34.9672 -25.5871 4.24741 -16.0532 34.9673 -16.0531 36.2593 GPRESSAVG: 3220400 -13.9328 -25.794 34.7784 -26.3677 6.35854 -16.0301 34.9397 -15.6173 35.866 TIMING: 3220400 CPU: 9348.59, 0.00293061/step Wall: 9348.59, 0.00293061/step, 1.4487 hours remaining, 207.250000 MB of memory in use. ENERGY: 3220400 739.4425 2045.7540 1980.4490 119.6174 -205958.8358 17789.2953 0.0000 0.0000 33959.2964 -149324.9812 296.5750 -183284.2776 -149227.8538 298.7526 -63.9816 -30.7064 559648.3339 9.2623 9.4306 PRESSURE: 3220600 8.48705 227.756 -156.972 227.758 -10.3051 -53.1581 -156.972 -53.1581 45.6137 GPRESSURE: 3220600 54.0255 183.047 -120.684 172.822 -13.5787 -36.6489 -53.3745 3.20529 106.694 PRESSAVG: 3220600 5.03853 -22.6154 -46.4824 -22.6154 -37.6311 -5.60092 -46.4824 -5.60092 7.17459 GPRESSAVG: 3220600 5.30035 -26.0118 -46.8367 -21.46 -39.1067 -5.10347 -46.5672 -5.73622 8.17527 TIMING: 3220600 CPU: 9349.17, 0.00286791/step Wall: 9349.17, 0.00286791/step, 1.41754 hours remaining, 207.492188 MB of memory in use. ENERGY: 3220600 736.6882 1997.5212 1974.6095 106.5533 -206227.0520 17796.6466 0.0000 0.0000 34318.5090 -149296.5241 299.7121 -183615.0332 -149192.7160 298.3795 14.5986 49.0467 556688.7548 -8.4727 -8.5437 PRESSURE: 3220800 -200.804 52.6299 42.3284 52.6305 -61.7123 -117.043 42.3286 -117.044 -50.4308 GPRESSURE: 3220800 -189.663 45.3641 38.5354 24.998 -69.12 -189.864 15.0064 -55.8748 37.6003 PRESSAVG: 3220800 -16.1242 12.8838 -49.5502 12.8839 24.0505 15.3755 -49.5502 15.3756 -20.4839 GPRESSAVG: 3220800 -16.0157 15.1957 -50.499 12.2378 23.7476 13.5557 -48.6312 14.975 -20.6647 TIMING: 3220800 CPU: 9349.74, 0.0028678/step Wall: 9349.74, 0.0028678/step, 1.41733 hours remaining, 207.492188 MB of memory in use. ENERGY: 3220800 744.7443 2044.8133 1960.9252 111.5805 -206386.1982 17762.2396 0.0000 0.0000 34340.7498 -149421.1454 299.9063 -183761.8953 -149319.1143 298.7506 -104.3157 -73.7275 557326.5966 -4.1859 -4.3109 PRESSURE: 3221000 120.951 33.0927 -50.2965 33.0933 154.654 -114.426 -50.2953 -114.426 106.446 GPRESSURE: 3221000 201.999 150.526 10.497 -39.6813 200.303 -55.1251 -134.832 -215.553 61.2235 PRESSAVG: 3221000 3.52256 56.1447 16.5538 56.1447 40.0206 -15.3183 16.5538 -15.3183 -21.4506 GPRESSAVG: 3221000 4.97247 55.8478 18.5954 55.8179 39.6923 -13.9543 13.2811 -15.0532 -21.6474 TIMING: 3221000 CPU: 9350.32, 0.00287271/step Wall: 9350.32, 0.00287271/step, 1.4196 hours remaining, 207.492188 MB of memory in use. ENERGY: 3221000 754.4169 2022.9508 1949.7955 104.3582 -206576.1294 18296.2008 0.0000 0.0000 34223.6889 -149224.7184 298.8840 -183448.4073 -149131.7177 299.0203 127.3505 154.5083 558722.6649 7.3642 7.6724 PRESSURE: 3221200 -145.893 -161.017 126.677 -161.016 -93.9748 -91.1831 126.676 -91.1849 125.677 GPRESSURE: 3221200 -151.429 -210.513 64.5479 -153.674 -28.3192 -45.1829 104.135 -108.655 156.015 PRESSAVG: 3221200 -94.3226 24.7145 2.24539 24.7146 43.0766 -19.2829 2.24552 -19.283 86.6922 GPRESSAVG: 3221200 -95.4539 23.9076 2.06198 25.2121 45.1923 -18.2768 4.03588 -19.9397 85.7775 TIMING: 3221200 CPU: 9350.89, 0.00286972/step Wall: 9350.89, 0.00286972/step, 1.41796 hours remaining, 207.492188 MB of memory in use. ENERGY: 3221200 749.4899 1997.1462 1964.7252 114.5154 -206122.2920 17912.1425 0.0000 0.0000 34305.3179 -149078.9549 299.5969 -183384.2728 -148989.7751 299.0532 -38.0636 -7.9110 558446.4389 11.8154 11.8387 PRESSURE: 3221400 -170.861 22.5926 -73.3596 22.5921 -0.751858 -170.861 -73.3596 -170.859 -455.538 GPRESSURE: 3221400 -132.721 -58.0403 -63.1272 28.5219 37.0212 -160.25 17.7147 -89.7852 -438.906 PRESSAVG: 3221400 -30.4291 -24.198 -12.1837 -24.1978 24.5189 -51.3642 -12.1836 -51.3644 -40.5414 GPRESSAVG: 3221400 -29.7164 -22.2872 -13.0657 -24.5454 22.2927 -52.3801 -12.165 -51.8162 -39.37 TIMING: 3221400 CPU: 9351.46, 0.00285914/step Wall: 9351.46, 0.00285914/step, 1.41257 hours remaining, 207.492188 MB of memory in use. ENERGY: 3221400 768.6927 2063.7658 1951.1281 111.0009 -206023.0807 17602.4123 0.0000 0.0000 34340.5061 -149185.5746 299.9042 -183526.0807 -149094.1238 298.7971 -209.0503 -178.2018 557799.1220 -15.4839 -15.5979 PRESSURE: 3221600 -31.4234 66.268 -121.771 66.2665 106.881 143.488 -121.771 143.49 239.962 GPRESSURE: 3221600 22.1703 118.233 -203.754 45.3343 133.922 142.844 -132.58 22.8696 258.883 PRESSAVG: 3221600 22.3185 2.17642 -8.36393 2.17641 12.3769 -33.3138 -8.36394 -33.3139 -9.16895 GPRESSAVG: 3221600 21.9569 1.84934 -10.1823 2.85131 14.3561 -32.8073 -6.71114 -33.4195 -10.7372 TIMING: 3221600 CPU: 9352.04, 0.0028898/step Wall: 9352.04, 0.0028898/step, 1.42756 hours remaining, 207.492188 MB of memory in use. ENERGY: 3221600 746.2155 2058.6383 1933.1035 104.1812 -206356.0435 17961.4083 0.0000 0.0000 34430.1908 -149122.3060 300.6874 -183552.4968 -149024.8668 299.1950 105.1399 138.3254 557886.5641 8.5088 8.5252 PRESSURE: 3221800 -108.166 -162.959 -51.899 -162.961 11.7868 36.8707 -51.9001 36.8704 286.52 GPRESSURE: 3221800 -63.2974 -176.934 -48.0715 -50.3597 45.178 49.1554 -50.6954 46.6617 304.746 PRESSAVG: 3221800 12.1685 -35.7266 29.0386 -35.7265 -60.1345 20.0317 29.0385 20.0318 29.2811 GPRESSAVG: 3221800 11.8458 -36.6761 31.618 -35.6481 -61.5738 21.708 26.8953 20.317 31.6972 TIMING: 3221800 CPU: 9352.61, 0.00287593/step Wall: 9352.61, 0.00287593/step, 1.42055 hours remaining, 207.492188 MB of memory in use. ENERGY: 3221800 749.1326 2025.8651 1975.6226 109.6650 -206084.1007 18003.8105 0.0000 0.0000 34302.0730 -148917.9319 299.5685 -183220.0049 -148829.6958 299.6104 63.3802 95.5421 559120.3084 -6.2283 -6.0102 PRESSURE: 3222000 -206.53 -17.4621 106.679 -17.4625 54.5559 50.4827 106.679 50.4838 -155.756 GPRESSURE: 3222000 -216.982 -19.6499 113.046 -59.8922 92.8589 104.227 111.361 -16.6855 -89.1086 PRESSAVG: 3222000 15.7424 -10.7635 25.5191 -10.7635 -51.5493 33.2841 25.5191 33.2841 22.0307 GPRESSAVG: 3222000 16.1149 -8.49826 22.3495 -11.8928 -50.7861 30.849 28.1771 34.8187 20.3031 TIMING: 3222000 CPU: 9353.19, 0.00287185/step Wall: 9353.19, 0.00287185/step, 1.41838 hours remaining, 207.492188 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: 3222000 733.4258 2105.5520 1965.7115 108.8959 -205999.5254 17846.8309 0.0000 0.0000 34318.3163 -148920.7930 299.7104 -183239.1093 -148819.2387 299.9908 -102.5766 -71.0773 558710.9117 -4.5921 -4.7894 PRESSURE: 3222200 -254.524 -78.5121 144.816 -78.5121 -1.06266 -28.6497 144.815 -28.6508 -296 GPRESSURE: 3222200 -186.713 -54.169 64.9385 -43.4507 -29.2763 -41.8518 252.356 14.2226 -253.926 PRESSAVG: 3222200 41.3861 -20.8912 34.64 -20.8911 44.2418 17.6915 34.6399 17.6916 -64.3248 GPRESSAVG: 3222200 41.9944 -22.343 36.1519 -20.5143 43.5863 16.7372 34.3287 16.3711 -64.337 TIMING: 3222200 CPU: 9353.77, 0.00288494/step Wall: 9353.77, 0.00288494/step, 1.42468 hours remaining, 207.492188 MB of memory in use. ENERGY: 3222200 762.0985 2134.6473 1944.2100 110.3567 -205824.0890 17546.7691 0.0000 0.0000 34286.2671 -149039.7402 299.4305 -183326.0074 -148946.6463 299.8086 -183.8622 -156.6384 559364.5988 7.1010 7.0813 PRESSURE: 3222400 47.0173 37.1166 22.709 37.1158 -179.972 29.9964 22.7086 29.9969 -283.882 GPRESSURE: 3222400 76.1111 -4.87634 28.4524 37.3229 -193.071 -45.1687 30.48 93.8187 -190.636 PRESSAVG: 3222400 -13.6388 -25.6575 17.7377 -25.6575 88.9629 -4.18226 17.7377 -4.18215 -72.6885 GPRESSAVG: 3222400 -14.9026 -25.438 17.8784 -28.2848 89.6485 -2.92134 16.1573 -2.41042 -72.2187 TIMING: 3222400 CPU: 9354.34, 0.00288837/step Wall: 9354.34, 0.00288837/step, 1.42621 hours remaining, 207.492188 MB of memory in use. ENERGY: 3222400 738.5459 2117.5481 1943.1171 114.6009 -205962.5548 17714.8431 0.0000 0.0000 34150.1971 -149183.7026 298.2422 -183333.8997 -149084.9291 298.9873 -138.9454 -102.5319 559292.0590 0.8785 0.8424 PRESSURE: 3222600 149.74 1.194 13.5483 1.19313 -62.7722 26.1737 13.5492 26.1743 -60.0974 GPRESSURE: 3222600 160.503 75.8506 98.8999 63.8948 -34.3773 122.448 -75.4755 18.2759 11.8994 PRESSAVG: 3222600 77.6614 4.24654 -20.4232 4.24651 -49.7365 -38.0559 -20.4231 -38.0558 -28.2079 GPRESSAVG: 3222600 78.0494 2.15179 -20.3929 9.04285 -49.5196 -37.9295 -18.0189 -40.6737 -28.1428 TIMING: 3222600 CPU: 9354.92, 0.00287516/step Wall: 9354.92, 0.00287516/step, 1.41953 hours remaining, 207.492188 MB of memory in use. ENERGY: 3222600 716.8591 2095.6723 1969.7415 122.9355 -206297.4729 17907.9338 0.0000 0.0000 34298.3143 -149186.0163 299.5357 -183484.3307 -149088.6130 299.2742 8.9567 46.0084 560289.7603 -0.0943 0.1290 PRESSURE: 3222800 22.6192 2.80622 171.505 2.80531 -211.202 45.5733 171.505 45.5735 -36.7722 GPRESSURE: 3222800 45.8749 -45.3193 152.689 81.6647 -131.779 -25.7958 209.256 64.4685 -46.7357 PRESSAVG: 3222800 44.1523 55.6575 8.28563 55.6576 -57.5722 -13.888 8.28571 -13.8879 11.2785 GPRESSAVG: 3222800 44.487 56.693 10.0265 52.776 -57.2712 -14.8347 6.65517 -11.681 11.0087 TIMING: 3222800 CPU: 9355.5, 0.00290259/step Wall: 9355.5, 0.00290259/step, 1.43291 hours remaining, 207.695312 MB of memory in use. ENERGY: 3222800 790.2502 2097.2062 1942.1600 114.9789 -206376.3951 17925.0482 0.0000 0.0000 34323.4358 -149183.3158 299.7551 -183506.7516 -149086.2637 298.9300 -75.1184 -44.2133 560281.2625 -0.7138 -0.5918 PRESSURE: 3223000 -3.08657 -65.4605 -73.5629 -65.4608 -74.5711 -8.7749 -73.5632 -8.77549 -73.6458 GPRESSURE: 3223000 50.8638 -85.3793 -88.723 -94.0384 -41.1135 -32.1731 -91.191 65.8909 -68.6479 PRESSAVG: 3223000 10.3362 2.51706 11.7662 2.517 43.7702 -45.0742 11.7662 -45.0743 -56.6208 GPRESSAVG: 3223000 10.4833 3.31148 10.6984 1.4055 43.3058 -47.893 11.7789 -44.8906 -56.3128 TIMING: 3223000 CPU: 9356.08, 0.00290546/step Wall: 9356.08, 0.00290546/step, 1.43416 hours remaining, 207.695312 MB of memory in use. ENERGY: 3223000 730.0716 2052.2316 1984.5977 113.7078 -205871.6338 17728.2990 0.0000 0.0000 34237.2997 -149025.4265 299.0029 -183262.7261 -148928.2099 299.4555 -50.4345 -19.6325 559072.8931 -0.8382 -0.8412 PRESSURE: 3223200 -137.784 35.7981 -173.003 35.799 -81.7866 -46.2207 -173.002 -46.2201 -311.083 GPRESSURE: 3223200 -131.225 -42.4164 -139.041 84.1669 -22.6313 -52.9931 -204.998 -87.9423 -272.363 PRESSAVG: 3223200 -47.6708 -38.56 -16.6525 -38.56 97.1756 12.8789 -16.6525 12.879 -27.7348 GPRESSAVG: 3223200 -48.1979 -40.3164 -16.3228 -39.6536 96.8887 15.3127 -16.7011 10.2019 -26.9281 TIMING: 3223200 CPU: 9356.66, 0.00289905/step Wall: 9356.66, 0.00289905/step, 1.43084 hours remaining, 207.695312 MB of memory in use. ENERGY: 3223200 776.0771 2129.2919 1978.9567 119.6033 -206159.1042 17770.9503 0.0000 0.0000 34365.4669 -149018.7579 300.1222 -183384.2248 -148922.4914 299.5950 -176.8844 -142.0731 559348.8690 7.2567 7.2543 PRESSURE: 3223400 -141.967 34.4803 160.155 34.4797 -207.114 107.271 160.156 107.272 -26.2169 GPRESSURE: 3223400 -166.15 -6.57662 234.728 74.9442 -215.564 54.3177 133.481 169.811 89.0191 PRESSAVG: 3223400 -66.8053 -13.4763 3.18454 -13.4762 -15.8395 -33.3866 3.18447 -33.3866 56.8704 GPRESSAVG: 3223400 -65.7104 -13.0865 1.97376 -10.7991 -15.3883 -30.4968 3.22408 -31.0613 55.5401 TIMING: 3223400 CPU: 9357.24, 0.00290556/step Wall: 9357.24, 0.00290556/step, 1.4339 hours remaining, 207.695312 MB of memory in use. ENERGY: 3223400 720.3981 2119.4633 1966.8019 119.3506 -205624.4729 17587.6437 0.0000 0.0000 34096.4974 -149014.3178 297.7732 -183110.8152 -148912.2442 299.1736 -125.0995 -97.5649 558894.0022 -8.5915 -8.5195 PRESSURE: 3223600 -25.993 -60.6297 95.1994 -60.6292 36.2348 -0.584047 95.1988 -0.583546 0.88256 GPRESSURE: 3223600 -54.5738 -95.5715 72.9379 -75.4716 79.3246 -52.1479 92.2072 -28.312 74.7715 PRESSAVG: 3223600 -69.9324 29.8595 2.2542 29.8596 -13.317 -45.3593 2.25418 -45.3593 53.7695 GPRESSAVG: 3223600 -70.04 29.8398 3.17457 30.3369 -13.7067 -48.3999 0.401255 -45.8402 54.9093 TIMING: 3223600 CPU: 9357.82, 0.00291198/step Wall: 9357.82, 0.00291198/step, 1.4369 hours remaining, 207.695312 MB of memory in use. ENERGY: 3223600 732.4337 2144.0715 1980.6740 128.6391 -206116.7448 17857.2672 0.0000 0.0000 34250.4757 -149023.1837 299.1179 -183273.6594 -148926.2405 299.0422 3.7081 33.1741 558777.4272 -9.8266 -9.6125 PRESSURE: 3223800 58.035 -29.001 -25.308 -29.0015 -82.7949 71.7103 -25.3063 71.7092 -140.577 GPRESSURE: 3223800 52.4062 -22.1725 -89.3425 9.3794 -30.2934 2.372 -59.8664 78.8245 -81.6989 PRESSAVG: 3223800 39.2562 35.7229 -28.901 35.723 -49.3056 45.1811 -28.901 45.1811 10.7095 GPRESSAVG: 3223800 38.6094 35.0559 -28.5366 34.1909 -47.9873 45.3793 -26.098 45.6894 10.4947 TIMING: 3223800 CPU: 9358.4, 0.00287451/step Wall: 9358.4, 0.00287451/step, 1.41825 hours remaining, 207.695312 MB of memory in use. ENERGY: 3223800 761.0761 2079.7940 1986.5500 114.7056 -206002.3330 17823.0780 0.0000 0.0000 34308.3621 -148928.7673 299.6235 -183237.1294 -148835.2991 299.5662 -55.1122 -19.8620 558753.6916 0.2200 0.3723 PRESSURE: 3224000 116.414 0.791365 49.2574 0.79052 -130.435 -85.078 49.2584 -85.0772 138.694 GPRESSURE: 3224000 200.317 9.10095 91.018 7.67127 -75.0727 -75.8586 39.819 -151.207 89.3003 PRESSAVG: 3224000 71.462 18.3828 -25.1666 18.3827 -66.9575 8.20291 -25.1665 8.20302 -3.5231 GPRESSAVG: 3224000 71.5402 19.7523 -24.9031 18.8871 -67.6329 8.68647 -27.5088 7.97675 -3.12977 TIMING: 3224000 CPU: 9358.98, 0.00289599/step Wall: 9358.98, 0.00289599/step, 1.42869 hours remaining, 207.695312 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: 3224000 722.4668 2118.1232 1971.1845 117.9585 -206060.1366 17937.5987 0.0000 0.0000 34246.5462 -148946.2588 299.0836 -183192.8050 -148852.0605 299.6470 41.5577 71.5149 559730.3491 0.3272 0.2592 PRESSURE: 3224200 -361.787 -51.2996 -15.9193 -51.3008 -46.0495 -11.9176 -15.9211 -11.9174 -219.571 GPRESSURE: 3224200 -277.651 -62.783 -7.19776 -90.5714 -63.228 -16.646 19.3201 39.5535 -182.147 PRESSAVG: 3224200 9.64841 68.5365 -3.62601 68.5366 24.2108 -21.8201 -3.62603 -21.8202 -48.4485 GPRESSAVG: 3224200 10.3091 66.5169 -4.00887 68.5217 24.4005 -22.0935 -2.63087 -23.913 -49.3554 TIMING: 3224200 CPU: 9359.56, 0.00289626/step Wall: 9359.56, 0.00289626/step, 1.42866 hours remaining, 207.695312 MB of memory in use. ENERGY: 3224200 728.3439 2168.7898 1936.5050 115.7872 -205623.3403 17411.0984 0.0000 0.0000 34259.2455 -149003.5704 299.1945 -183262.8159 -148900.0326 300.0313 -209.1356 -174.3420 560278.1001 -4.8631 -4.8819 LDB: ============= START OF LOAD BALANCING ============== 9363.02 LDB: ============== END OF LOAD BALANCING =============== 9363.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9363.02 LDB: ============= START OF LOAD BALANCING ============== 9363.32 LDB: Largest compute 4820 load 0.027880 is 23.7% of average load 0.117799 LDB: Average compute 0.001706 is 1.4% of average load 0.117799 LDB: TIME 9363.32 LOAD: AVG 0.117799 MAX 0.17941 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.816 MB LDB: TIME 9363.32 LOAD: AVG 0.117799 MAX 0.17941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: TIME 9363.32 LOAD: AVG 0.117799 MAX 0.17941 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9363.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9363.32 PRESSURE: 3224400 5.51726 -109.317 -97.5066 -109.316 20.461 162.407 -97.5079 162.407 92.2934 GPRESSURE: 3224400 -17.2435 -218.544 -163.803 -67.0905 95.2518 88.3641 -89.2605 167.676 137.509 PRESSAVG: 3224400 -31.696 -35.8838 12.5806 -35.8838 17.9917 -41.547 12.5806 -41.547 41.4624 GPRESSAVG: 3224400 -32.2371 -33.9807 13.1001 -36.0843 17.7109 -41.9192 12.9239 -41.3687 42.4365 TIMING: 3224400 CPU: 9360.15, 0.00296164/step Wall: 9360.15, 0.00296164/step, 1.46075 hours remaining, 206.058594 MB of memory in use. ENERGY: 3224400 757.3224 2077.0604 1943.2564 116.9096 -206107.5345 17992.8611 0.0000 0.0000 34440.5765 -148779.5482 300.7781 -183220.1247 -148681.0539 299.9646 39.4239 71.8392 559483.2796 9.2527 9.3034 PRESSURE: 3224600 73.3755 74.1714 31.4844 74.1726 194.195 -0.838655 31.4844 -0.83976 45.0973 GPRESSURE: 3224600 105.512 -9.56393 53.9821 71.7966 147.661 40.4744 -5.97223 -27.6891 158.328 PRESSAVG: 3224600 -1.63483 0.452786 19.058 0.452732 44.2452 -5.65397 19.058 -5.65399 -23.6485 GPRESSAVG: 3224600 -0.100581 0.228085 18.3704 -0.0382494 43.6291 -5.6348 18.4518 -3.02607 -24.1455 TIMING: 3224600 CPU: 9360.73, 0.00290637/step Wall: 9360.73, 0.00290637/step, 1.43332 hours remaining, 206.628906 MB of memory in use. ENERGY: 3224600 724.9533 2076.4742 1964.0583 114.9686 -205856.7557 17908.7163 0.0000 0.0000 34289.2339 -148778.3512 299.4564 -183067.5851 -148678.6367 299.7555 104.2226 137.1669 559900.3602 6.3206 6.4610 PRESSURE: 3224800 295.159 13.8821 -58.8253 13.8799 107.946 -80.2423 -58.8255 -80.2407 -95.6668 GPRESSURE: 3224800 286.053 51.2976 -118.234 32.311 164.513 -63.7065 -81.134 -95.6204 -55.7133 PRESSAVG: 3224800 8.89138 33.7503 28.2667 33.7502 -17.5625 -26.6526 28.2667 -26.6526 34.9794 GPRESSAVG: 3224800 7.06741 34.7115 29.918 33.3254 -17.1989 -28.213 28.4939 -27.5938 36.5753 TIMING: 3224800 CPU: 9361.31, 0.00289641/step Wall: 9361.31, 0.00289641/step, 1.42825 hours remaining, 206.628906 MB of memory in use. ENERGY: 3224800 747.8897 2033.2717 1968.3451 107.0918 -206168.6880 18007.9380 0.0000 0.0000 34368.8801 -148935.2715 300.1520 -183304.1516 -148837.5775 299.8048 102.4796 131.6173 558630.2019 8.7694 8.8146 PRESSURE: 3225000 -61.6754 -5.09838 -112.864 -5.09895 -9.63706 2.00394 -112.864 2.00518 116.218 GPRESSURE: 3225000 -95.4846 -18.7409 -66.1564 -56.4713 73.3003 6.55375 -134.759 1.1146 156.95 PRESSAVG: 3225000 -47.4095 1.13691 -60.3899 1.13688 -28.2469 -25.5216 -60.3899 -25.5216 61.1365 GPRESSAVG: 3225000 -48.5044 2.00806 -60.8761 0.190652 -25.9036 -23.4738 -60.1108 -27.6156 60.0964 TIMING: 3225000 CPU: 9361.89, 0.00291546/step Wall: 9361.89, 0.00291546/step, 1.43748 hours remaining, 206.628906 MB of memory in use. ENERGY: 3225000 751.0642 2124.9568 1950.8877 115.3824 -205803.0749 17810.1673 0.0000 0.0000 34255.7158 -148794.9008 299.1637 -183050.6165 -148696.1882 300.3391 14.9684 44.9218 558195.8094 -4.8399 -4.7705 PRESSURE: 3225200 -124.033 -42.9246 -9.16384 -42.9251 196.074 -96.7561 -9.16215 -96.756 8.90709 GPRESSURE: 3225200 -81.9243 -74.149 -46.5093 -58.6049 200.442 -118.402 -76.3185 -53.68 64.7768 PRESSAVG: 3225200 26.7129 -38.0784 -46.4664 -38.0784 -3.24353 -20.1047 -46.4665 -20.1049 -7.43616 GPRESSAVG: 3225200 28.2377 -41.5355 -47.8256 -35.1642 -5.18727 -21.2136 -45.5373 -18.0703 -7.12726 TIMING: 3225200 CPU: 9362.47, 0.00290434/step Wall: 9362.47, 0.00290434/step, 1.43184 hours remaining, 206.628906 MB of memory in use. ENERGY: 3225200 748.3669 2063.9180 1954.6889 112.2481 -205899.3652 17840.1984 0.0000 0.0000 34378.2789 -148801.6659 300.2341 -183179.9449 -148699.0999 300.4948 26.9827 61.0983 556205.5364 5.3444 5.3077 PRESSURE: 3225400 -55.2504 -61.5333 65.1256 -61.5337 30.1209 183.477 65.1239 183.478 51.3328 GPRESSURE: 3225400 -8.10867 0.455896 88.0244 -22.7463 55.7933 139.886 85.4296 199.24 67.3076 PRESSAVG: 3225400 -9.60351 -8.02986 24.1356 -8.02979 18.3335 -11.0842 24.1355 -11.0842 -5.48334 GPRESSAVG: 3225400 -9.69945 -5.59263 25.0999 -10.0231 18.2015 -11.8776 24.9006 -11.2947 -5.35105 TIMING: 3225400 CPU: 9363.05, 0.00288372/step Wall: 9363.05, 0.00288372/step, 1.42151 hours remaining, 206.628906 MB of memory in use. ENERGY: 3225400 759.3742 2063.6712 1982.3082 123.0459 -206125.2905 17829.9790 0.0000 0.0000 34567.3373 -148799.5747 301.8852 -183366.9119 -148692.1417 300.5536 8.7344 38.3308 557550.1840 1.0822 1.0503 PRESSURE: 3225600 -98.0661 27.893 -27.9072 27.8942 33.7421 43.803 -27.9075 43.8019 -253.961 GPRESSURE: 3225600 -2.29057 56.7784 -66.1285 18.5147 1.52396 46.0645 16.6556 1.8065 -223.185 PRESSAVG: 3225600 57.2488 11.761 37.7396 11.761 -23.2886 31.6153 37.7395 31.6153 -17.7936 GPRESSAVG: 3225600 58.1108 11.2581 39.4919 11.644 -23.0875 34.8188 36.1428 29.2724 -18.605 TIMING: 3225600 CPU: 9363.63, 0.00289972/step Wall: 9363.63, 0.00289972/step, 1.42924 hours remaining, 206.628906 MB of memory in use. ENERGY: 3225600 775.9239 2071.8078 1982.8359 111.9852 -205769.4337 17635.4368 0.0000 0.0000 34345.1650 -148846.2791 299.9449 -183191.4441 -148749.1740 300.6888 -106.0950 -74.6507 557492.4577 5.3889 5.4728 PRESSURE: 3225800 -135.035 -84.8959 87.811 -84.8959 -382.24 11.7235 87.8114 11.7252 68.2641 GPRESSURE: 3225800 -78.4905 -122.958 41.2592 -82.8286 -424.334 0.78658 129.193 -15.7449 146.237 PRESSAVG: 3225800 27.4841 -3.54804 4.21592 -3.54812 -100.161 0.840434 4.21581 0.840434 22.851 GPRESSAVG: 3225800 26.5919 -4.45679 2.04889 -3.43198 -100.186 -0.439673 5.12971 1.25043 23.9774 TIMING: 3225800 CPU: 9364.21, 0.00291978/step Wall: 9364.21, 0.00291978/step, 1.43896 hours remaining, 206.628906 MB of memory in use. ENERGY: 3225800 782.8494 2117.0457 1982.5219 117.9980 -205423.7724 17458.4407 0.0000 0.0000 34058.4089 -148906.5079 297.4406 -182964.9168 -148804.6843 299.8574 -149.6704 -118.8626 559073.1848 -16.6088 -16.5388 PRESSURE: 3226000 66.9704 -46.8076 0.873806 -46.8081 -73.3413 -15.174 0.874628 -15.1739 -35.6921 GPRESSURE: 3226000 80.4994 -51.1722 -55.6104 -54.0699 -29.8568 -46.7125 106.986 -111.519 6.66921 PRESSAVG: 3226000 31.2544 86.998 36.3877 86.998 -48.492 -21.2182 36.3878 -21.2182 24.4179 GPRESSAVG: 3226000 31.9722 85.8323 37.2039 86.6472 -48.6824 -21.111 36.6694 -20.9658 24.5696 TIMING: 3226000 CPU: 9364.8, 0.00292079/step Wall: 9364.8, 0.00292078/step, 1.4393 hours remaining, 206.628906 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: 3226000 769.3127 2064.7715 2000.4079 110.6537 -205949.4856 17867.0626 0.0000 0.0000 34312.7287 -148824.5485 299.6616 -183137.2772 -148730.4832 299.7284 -14.0210 19.1039 558218.9223 2.3934 2.6198 PRESSURE: 3226200 -17.838 126.2 88.6578 126.199 -16.7818 334.487 88.6576 334.488 74.6242 GPRESSURE: 3226200 47.59 96.0681 -0.306768 130.988 19.0499 331.585 121.628 360.914 83.3332 PRESSAVG: 3226200 16.7687 -9.9282 -21.8133 -9.92816 11.3732 -2.05315 -21.8132 -2.05319 3.07592 GPRESSAVG: 3226200 15.9121 -10.4826 -21.8116 -7.51219 12.0451 -3.01755 -22.2726 -3.69849 3.12133 TIMING: 3226200 CPU: 9365.38, 0.00288638/step Wall: 9365.38, 0.00288638/step, 1.42219 hours remaining, 206.628906 MB of memory in use. ENERGY: 3226200 714.0835 2152.8337 1951.2692 123.4410 -206189.6630 17922.5110 0.0000 0.0000 34411.7247 -148913.8000 300.5262 -183325.5247 -148821.6035 299.4642 13.3348 49.9910 557913.9510 10.4060 10.3595 PRESSURE: 3226400 25.7377 -108.707 -6.11297 -108.706 43.4458 113.634 -6.11398 113.635 166.853 GPRESSURE: 3226400 31.8189 -51.5567 -54.955 -162.108 111.247 117.86 7.57694 70.9745 191.582 PRESSAVG: 3226400 14.7475 -23.3161 -45.6725 -23.3161 -19.0114 -14.0274 -45.6725 -14.0273 -14.5872 GPRESSAVG: 3226400 14.7518 -22.5367 -44.6302 -23.9901 -19.6514 -13.4396 -46.3404 -12.2336 -13.6872 TIMING: 3226400 CPU: 9365.96, 0.00290352/step Wall: 9365.96, 0.00290352/step, 1.43047 hours remaining, 206.628906 MB of memory in use. ENERGY: 3226400 769.4164 2100.7386 1970.2648 116.5886 -206454.9358 18065.9542 0.0000 0.0000 34181.4738 -149250.4994 298.5153 -183431.9732 -149162.0272 299.4770 78.6789 111.5494 557375.3767 -6.2837 -6.1956 PRESSURE: 3226600 105.522 -10.0095 128.53 -10.0085 -118.251 107.969 128.529 107.968 -129.902 GPRESSURE: 3226600 128.334 -13.4541 45.6795 -24.1074 -54.6813 135.039 208.978 73.1887 -119.238 PRESSAVG: 3226600 36.2996 1.73615 -4.36212 1.73616 -19.4283 12.7307 -4.36219 12.7306 5.66508 GPRESSAVG: 3226600 37.7565 3.1905 -3.78229 1.55392 -19.0456 13.1744 -4.66024 14.4414 3.83239 TIMING: 3226600 CPU: 9366.53, 0.0028829/step Wall: 9366.53, 0.0028829/step, 1.42015 hours remaining, 206.628906 MB of memory in use. ENERGY: 3226600 770.5907 2143.9750 1955.8502 114.9566 -206106.1786 17873.6349 0.0000 0.0000 34054.5068 -149192.6642 297.4065 -183247.1710 -149092.3449 298.7695 -47.5436 -15.1952 558351.6189 7.5121 7.5144 PRESSURE: 3226800 -66.8549 25.1864 -61.6103 25.1867 67.3687 -203.361 -61.6101 -203.362 40.888 GPRESSURE: 3226800 -7.59024 35.6873 -112.881 -45.4731 74.7241 -119.087 -75.7662 -248.306 74.8119 PRESSAVG: 3226800 -34.5695 8.60293 -28.5271 8.60305 -13.2893 -15.9948 -28.527 -15.9948 83.6907 GPRESSAVG: 3226800 -36.9803 8.725 -30.4661 6.94826 -12.7019 -16.6754 -27.0291 -17.5773 85.8731 TIMING: 3226800 CPU: 9367.11, 0.00286868/step Wall: 9367.11, 0.00286868/step, 1.41299 hours remaining, 206.628906 MB of memory in use. ENERGY: 3226800 785.4987 2087.8158 1953.4109 122.8973 -206402.1877 17997.1281 0.0000 0.0000 34285.8387 -149169.5981 299.4268 -183455.4369 -149070.7653 299.0280 13.8006 47.3152 556895.6238 11.9440 12.0636 PRESSURE: 3227000 105.258 45.9313 93.0622 45.9304 55.1519 278.136 93.0614 278.136 334.6 GPRESSURE: 3227000 144.932 -29.6494 11.247 77.6349 113.038 293.473 190.203 288.49 344.094 PRESSAVG: 3227000 13.5706 7.38933 -44.7346 7.38931 -10.2862 -36.7342 -44.7346 -36.7343 41.5666 GPRESSAVG: 3227000 16.2875 8.77597 -44.929 5.966 -9.94512 -37.179 -44.0531 -35.7086 39.4348 TIMING: 3227000 CPU: 9367.68, 0.00287449/step Wall: 9367.68, 0.00287449/step, 1.41569 hours remaining, 206.628906 MB of memory in use. ENERGY: 3227000 750.2831 2119.6622 1970.9078 117.0106 -206270.0343 17884.0076 0.0000 0.0000 34478.2323 -148949.9307 301.1070 -183428.1630 -148859.8831 299.6536 165.0034 200.6881 556964.0999 14.9504 15.2591 PRESSURE: 3227200 -195.19 -82.2799 -1.00209 -82.2794 77.6625 -18.3431 -1.00331 -18.3434 -342.531 GPRESSURE: 3227200 -187.415 -66.5668 95.0343 -84.2638 86.2774 -45.883 -35.6078 20.7459 -256.751 PRESSAVG: 3227200 12.7918 7.56891 19.0115 7.56895 44.6907 -42.9062 19.0115 -42.9061 -65.5239 GPRESSAVG: 3227200 11.7097 5.7538 20.3332 9.5448 45.1367 -42.9902 18.1825 -42.8638 -65.2559 TIMING: 3227200 CPU: 9368.26, 0.00289745/step Wall: 9368.26, 0.00289745/step, 1.42683 hours remaining, 206.628906 MB of memory in use. ENERGY: 3227200 731.0852 2107.1750 1968.2179 107.6927 -205633.8922 17521.6394 0.0000 0.0000 34430.1013 -148767.9808 300.6866 -183198.0821 -148680.2403 300.0604 -153.3527 -119.2962 559093.2060 -2.6805 -2.8032 PRESSURE: 3227400 -100.347 113.545 43.104 113.545 -328.103 -26.8464 43.104 -26.8462 -0.45638 GPRESSURE: 3227400 -107.222 89.3404 63.2422 48.057 -238.718 -68.2396 116.721 -22.6077 13.17 PRESSAVG: 3227400 18.7789 95.8089 -4.06219 95.809 -61.7505 -49.9639 -4.0621 -49.964 25.2222 GPRESSAVG: 3227400 17.9881 95.4746 -5.32539 95.7383 -62.0663 -50.7012 -4.24822 -50.6203 25.9278 TIMING: 3227400 CPU: 9368.84, 0.00290686/step Wall: 9368.84, 0.00290686/step, 1.4313 hours remaining, 206.628906 MB of memory in use. ENERGY: 3227400 750.5408 2105.9067 1964.5130 106.4204 -205607.7894 17563.6519 0.0000 0.0000 34478.1448 -148638.6118 301.1062 -183116.7566 -148535.0555 300.0248 -142.9687 -110.9233 559840.2453 -5.9164 -6.0501 PRESSURE: 3227600 -179.788 162.607 -52.4219 162.608 -220.89 -136.032 -52.4211 -136.032 -119.451 GPRESSURE: 3227600 -157.265 171.841 -51.1869 113.935 -183.531 -187.895 -19.6894 -80.3015 -102.241 PRESSAVG: 3227600 61.6334 28.7658 -18.3696 28.7657 -13.2605 -37.9032 -18.3694 -37.9031 9.26597 GPRESSAVG: 3227600 62.003 28.4797 -16.9596 27.7736 -13.4152 -36.8414 -19.4395 -37.7797 8.86979 TIMING: 3227600 CPU: 9369.42, 0.00290426/step Wall: 9369.42, 0.00290426/step, 1.42986 hours remaining, 206.628906 MB of memory in use. ENERGY: 3227600 753.3969 2122.0226 1933.3179 108.1484 -205669.7156 17635.7086 0.0000 0.0000 34503.0726 -148614.0486 301.3239 -183117.1212 -148519.3712 300.8286 -173.3765 -147.6792 560146.3741 19.2130 19.1525 PRESSURE: 3227800 -229.074 116.017 101.374 116.016 -266.079 -69.3273 101.374 -69.3268 -42.6885 GPRESSURE: 3227800 -232.38 119.625 41.1619 74.997 -228.696 -67.7095 97.3779 -27.53 25.9301 PRESSAVG: 3227800 -48.6268 -47.019 -2.23071 -47.0191 39.7352 -10.3154 -2.23078 -10.3155 4.02439 GPRESSAVG: 3227800 -48.7553 -46.5552 -2.48424 -46.29 38.7774 -10.3414 -3.587 -10.9288 5.89935 TIMING: 3227800 CPU: 9370.01, 0.00291299/step Wall: 9370.01, 0.00291299/step, 1.434 hours remaining, 206.628906 MB of memory in use. ENERGY: 3227800 746.6175 2141.6237 1938.7761 105.3053 -205447.8925 17425.0015 0.0000 0.0000 34343.4480 -148747.1204 299.9299 -183090.5684 -148654.5678 300.4466 -179.2807 -145.0486 559175.4136 -1.6224 -1.3595 PRESSURE: 3228000 327.845 33.6212 -85.9927 33.6208 91.8068 -150.45 -85.9926 -150.449 292.559 GPRESSURE: 3228000 362.637 37.0923 -51.4403 21.8922 127.022 -221.34 -140.61 -152.314 318.972 PRESSAVG: 3228000 -72.0717 64.8555 56.9714 64.8554 33.5042 12.5836 56.9714 12.5837 72.4061 GPRESSAVG: 3228000 -70.9335 64.8155 57.2205 65.2308 35.4077 13.8496 55.977 10.9721 69.0588 TIMING: 3228000 CPU: 9370.59, 0.00291583/step Wall: 9370.59, 0.00291583/step, 1.43524 hours remaining, 206.628906 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: 3228000 749.6178 2042.1202 1981.4919 124.2722 -206196.7350 18072.8341 0.0000 0.0000 34426.6108 -148799.7878 300.6562 -183226.3987 -148708.1931 300.0304 237.4036 269.5436 557325.1961 11.2795 11.1776 PRESSURE: 3228200 -26.869 -101.788 -106.899 -101.789 59.7822 63.9824 -106.898 63.9822 -240.842 GPRESSURE: 3228200 32.6909 -146.369 -103.596 -40.2601 58.6558 51.2034 -160.079 142.639 -195.142 PRESSAVG: 3228200 -46.5921 10.3801 -13.5931 10.3801 5.20557 -22.3221 -13.5931 -22.322 54.9982 GPRESSAVG: 3228200 -47.1228 7.51299 -14.5678 10.7908 3.81804 -24.0951 -12.1845 -19.9138 56.3583 TIMING: 3228200 CPU: 9371.18, 0.00293102/step Wall: 9371.18, 0.00293102/step, 1.44255 hours remaining, 206.628906 MB of memory in use. ENERGY: 3228200 699.5664 2078.4229 1945.3776 113.5256 -205771.1055 17661.5312 0.0000 0.0000 34569.4312 -148703.2505 301.9034 -183272.6817 -148605.5090 300.4110 -69.3097 -34.5983 557762.3812 4.5372 4.3512 LDB: ============= START OF LOAD BALANCING ============== 9374.64 LDB: ============== END OF LOAD BALANCING =============== 9374.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9374.64 LDB: ============= START OF LOAD BALANCING ============== 9374.94 LDB: Largest compute 4848 load 0.027523 is 23.4% of average load 0.117782 LDB: Average compute 0.001703 is 1.4% of average load 0.117782 LDB: TIME 9374.94 LOAD: AVG 0.117782 MAX 0.178668 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.809 MB LDB: TIME 9374.94 LOAD: AVG 0.117782 MAX 0.178668 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: TIME 9374.94 LOAD: AVG 0.117782 MAX 0.178668 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9374.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9374.95 PRESSURE: 3228400 188.241 -126.584 -146.555 -126.584 144.161 7.82029 -146.555 7.82039 76.2889 GPRESSURE: 3228400 240.567 -147.538 -97.1667 -101.312 206.287 41.7833 -112.858 20.7575 50.4735 PRESSAVG: 3228400 -18.0646 21.6247 -27.9211 21.6248 28.3214 66.0817 -27.9211 66.0817 -7.47922 GPRESSAVG: 3228400 -18.4362 25.0262 -29.087 20.4073 29.1873 66.9196 -26.7241 65.804 -8.17044 TIMING: 3228400 CPU: 9371.77, 0.00297497/step Wall: 9371.77, 0.00297497/step, 1.46402 hours remaining, 208.582031 MB of memory in use. ENERGY: 3228400 769.5902 2121.3723 1946.5525 122.8154 -205819.5649 17856.2350 0.0000 0.0000 34300.6566 -148702.3430 299.5562 -183002.9996 -148609.1632 300.1182 136.2305 165.7757 556420.6827 0.9259 0.8602 PRESSURE: 3228600 42.174 173.897 0.36185 173.898 52.8323 90.3223 0.361261 90.3243 -71.8359 GPRESSURE: 3228600 79.7295 212.019 38.4716 133.359 86.7198 58.9437 6.49224 119.634 -63.9732 PRESSAVG: 3228600 54.5913 31.8413 -58.8298 31.8415 38.2229 -14.9911 -58.8298 -14.9911 -69.1134 GPRESSAVG: 3228600 53.6284 32.0814 -59.4211 33.6406 37.628 -15.9148 -59.6962 -13.225 -67.3012 TIMING: 3228600 CPU: 9372.35, 0.00291999/step Wall: 9372.35, 0.00291999/step, 1.4368 hours remaining, 208.652344 MB of memory in use. ENERGY: 3228600 736.8109 2063.1443 1980.0126 109.9856 -205891.2068 17707.1861 0.0000 0.0000 34411.8855 -148882.1818 300.5276 -183294.0673 -148782.4980 301.0128 7.7234 34.1587 557879.0418 7.9003 7.9851 PRESSURE: 3228800 163.596 -48.7747 93.9846 -48.7741 -275.779 167.79 93.9842 167.787 57.8444 GPRESSURE: 3228800 132.795 -83.0956 131.682 -39.309 -183.544 106.046 75.5427 174.899 83.3047 PRESSAVG: 3228800 -8.70604 35.5917 -30.744 35.5917 65.4152 0.277171 -30.744 0.277127 -31.1311 GPRESSAVG: 3228800 -8.01219 33.0061 -29.4341 35.1558 65.2832 -0.0278868 -30.4774 1.23052 -31.4888 TIMING: 3228800 CPU: 9372.93, 0.0028912/step Wall: 9372.93, 0.0028912/step, 1.42247 hours remaining, 208.652344 MB of memory in use. ENERGY: 3228800 712.6082 2092.7816 1944.0757 108.3972 -205773.0988 17466.0528 0.0000 0.0000 34535.4149 -148913.7684 301.6064 -183449.1833 -148816.5583 299.5514 -18.1127 10.8519 556239.2022 8.5260 8.5941 PRESSURE: 3229000 -146.459 -93.9891 -62.3811 -93.9892 -257.285 -76.7577 -62.3809 -76.7582 -117.4 GPRESSURE: 3229000 -130.11 -132.911 -99.405 -104.456 -206.362 -1.17298 -70.9148 -102.851 -83.6186 PRESSAVG: 3229000 6.6736 7.86406 1.3351 7.86404 18.4289 -4.98895 1.33512 -4.98902 -8.85345 GPRESSAVG: 3229000 7.17422 8.6974 2.57151 7.10786 18.9517 -2.95859 -0.290637 -7.57059 -9.98787 TIMING: 3229000 CPU: 9373.52, 0.00291738/step Wall: 9373.52, 0.00291738/step, 1.43519 hours remaining, 208.652344 MB of memory in use. ENERGY: 3229000 733.3044 2109.4265 1971.5798 115.9954 -205602.0661 17420.1502 0.0000 0.0000 34278.3129 -148973.2969 299.3610 -183251.6098 -148879.6655 299.0087 -173.7149 -140.0301 557620.9965 5.4163 5.3793 PRESSURE: 3229200 -7.48621 -161.367 16.1546 -161.366 215.106 -107.886 16.1545 -107.888 213.852 GPRESSURE: 3229200 51.4541 -149.503 -0.712339 -63.4546 223.002 -135.337 37.425 -67.2425 243.18 PRESSAVG: 3229200 -21.4461 1.90438 7.99407 1.90429 15.7889 -1.64692 7.99408 -1.6469 14.9028 GPRESSAVG: 3229200 -21.6361 1.45621 5.39773 3.0761 14.9386 -1.47942 9.54661 -2.70079 16.1648 TIMING: 3229200 CPU: 9374.1, 0.00291974/step Wall: 9374.1, 0.00291974/step, 1.43619 hours remaining, 208.652344 MB of memory in use. ENERGY: 3229200 740.4675 2066.3855 1980.1435 110.0767 -206381.1691 18003.2898 0.0000 0.0000 34441.4357 -149039.3705 300.7856 -183480.8062 -148944.6450 299.7755 140.4905 172.5452 556156.5625 3.0819 3.1558 PRESSURE: 3229400 271.45 -20.8254 104.169 -20.8255 -29.1859 -34.6455 104.167 -34.6469 35.8209 GPRESSURE: 3229400 281.912 4.64671 76.6671 -71.4612 -24.0096 -14.474 67.3898 -11.7648 127.605 PRESSAVG: 3229400 0.755854 19.7275 -26.1583 19.7275 22.573 2.17835 -26.1584 2.17842 -5.50601 GPRESSAVG: 3229400 -0.560527 20.6997 -23.7483 20.3264 24.1023 0.602391 -27.0877 0.758487 -5.08984 TIMING: 3229400 CPU: 9374.68, 0.0029002/step Wall: 9374.68, 0.0029002/step, 1.42642 hours remaining, 208.777344 MB of memory in use. ENERGY: 3229400 722.8110 2078.3095 1983.6636 118.2606 -206151.9690 17906.9194 0.0000 0.0000 34179.4240 -149162.5809 298.4974 -183342.0049 -149070.9050 299.2632 92.6949 128.5024 557125.1310 5.9409 6.1506 PRESSURE: 3229600 -278.744 39.0224 -46.073 39.0214 19.5284 33.3583 -46.0723 33.3582 93.3086 GPRESSURE: 3229600 -268.34 146.767 28.3888 59.5345 78.6052 -32.4673 -68.6949 112.718 115.892 PRESSAVG: 3229600 -37.0842 -12.4449 -27.7995 -12.445 32.898 -35.4412 -27.7996 -35.4412 -0.0909023 GPRESSAVG: 3229600 -37.6171 -13.6146 -26.2567 -11.6679 33.8761 -35.8866 -27.4888 -32.0312 -1.66719 TIMING: 3229600 CPU: 9375.26, 0.0028992/step Wall: 9375.26, 0.0028992/step, 1.42576 hours remaining, 208.777344 MB of memory in use. ENERGY: 3229600 748.2477 2125.8203 1954.6503 112.6279 -205959.4215 17729.8571 0.0000 0.0000 34288.1345 -149000.0837 299.4468 -183288.2182 -148908.8577 300.4563 -55.3023 -24.6142 556980.7059 -1.4257 -1.8027 PRESSURE: 3229800 -276.32 -55.3811 123.474 -55.3812 -86.0022 95.6162 123.474 95.6168 -112.404 GPRESSURE: 3229800 -288.903 -99.3751 57.3612 -38.3625 -24.1661 46.1259 120.88 54.679 -53.9209 PRESSAVG: 3229800 4.09324 33.8935 -8.42213 33.8936 40.7866 4.93014 -8.42212 4.93027 -24.482 GPRESSAVG: 3229800 4.67074 34.6769 -9.1404 30.9049 40.0667 5.75832 -8.53333 4.92056 -24.1525 TIMING: 3229800 CPU: 9375.84, 0.00290566/step Wall: 9375.84, 0.00290566/step, 1.42878 hours remaining, 208.777344 MB of memory in use. ENERGY: 3229800 750.0131 2109.1013 1963.8631 104.6121 -205844.7200 17559.4011 0.0000 0.0000 34319.0035 -149038.7258 299.7164 -183357.7293 -148950.6411 300.0446 -158.2422 -122.3301 558223.7641 6.7993 6.8616 PRESSURE: 3230000 128.448 -10.3858 9.77343 -10.3861 -168.079 98.2898 9.773 98.291 229.505 GPRESSURE: 3230000 135.6 -45.9719 69.8419 -50.6211 -115.415 140.034 -5.91332 108.776 284.894 PRESSAVG: 3230000 -35.1926 -36.6988 36.6161 -36.6987 -38.9909 51.3399 36.6161 51.34 53.6394 GPRESSAVG: 3230000 -35.4725 -35.1451 33.7667 -36.2832 -38.8622 50.1441 38.4769 52.6334 53.9702 TIMING: 3230000 CPU: 9376.42, 0.00290797/step Wall: 9376.42, 0.00290797/step, 1.42975 hours remaining, 208.777344 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: 3230000 760.9678 2012.3425 1926.6770 117.8182 -206223.7844 17796.1185 0.0000 0.0000 34227.7442 -149382.1162 298.9194 -183609.8604 -149281.9078 298.4686 63.2911 101.6929 555430.5821 -6.8481 -6.7882 PRESSURE: 3230200 -134.624 -45.3354 -64.6897 -45.3361 135.788 60.677 -64.6902 60.6769 47.4844 GPRESSURE: 3230200 -61.3064 -95.0144 -39.3471 -12.7872 115.64 10.794 -127.475 95.687 98.9378 PRESSAVG: 3230200 -86.1275 -0.882095 1.67678 -0.882099 62.8707 -46.6186 1.67674 -46.6185 50.0355 GPRESSAVG: 3230200 -84.5365 -0.885726 3.5459 -2.13259 61.0095 -46.4274 0.0783422 -47.1027 49.9597 TIMING: 3230200 CPU: 9377.01, 0.00292129/step Wall: 9377.01, 0.00292129/step, 1.43614 hours remaining, 208.789062 MB of memory in use. ENERGY: 3230200 733.9154 2075.1082 1962.8487 113.3227 -206010.2328 17856.8582 0.0000 0.0000 34170.7162 -149097.4635 298.4214 -183268.1796 -149002.6902 298.4950 16.2162 51.0903 557419.2801 8.9262 8.8109 PRESSURE: 3230400 -413.653 12.5312 32.9445 12.531 -243.992 -20.0426 32.9439 -20.0436 -25.8127 GPRESSURE: 3230400 -343.454 -60.9017 28.0097 -32.6609 -200.637 -21.6992 -56.4864 -95.826 -43.2208 PRESSAVG: 3230400 -107.754 -22.5602 -0.502752 -22.5602 90.8244 -4.00441 -0.502903 -4.00449 23.9774 GPRESSAVG: 3230400 -108.747 -22.778 -1.24108 -22.7209 92.2568 -4.0384 -2.36514 -4.86107 23.995 TIMING: 3230400 CPU: 9377.59, 0.00291506/step Wall: 9377.59, 0.00291506/step, 1.43291 hours remaining, 208.789062 MB of memory in use. ENERGY: 3230400 765.1195 2055.0812 1968.4305 95.4877 -205895.5517 17523.8683 0.0000 0.0000 34245.1235 -149242.4410 299.0712 -183487.5645 -149151.5746 299.5407 -227.8194 -195.7708 557039.0969 2.3493 2.5016 PRESSURE: 3230600 -36.8357 -119.943 143.403 -119.943 -255.031 35.7944 143.403 35.794 -403.638 GPRESSURE: 3230600 -23.1972 -222.985 133.426 -136.636 -193.456 -65.0792 187.789 34.1476 -380.03 PRESSAVG: 3230600 -27.9527 -8.148 -27.2661 -8.14804 -3.57685 -0.846058 -27.2661 -0.84607 62.7547 GPRESSAVG: 3230600 -27.9987 -8.52108 -27.3459 -7.50687 -4.28036 -2.47052 -25.0505 -0.446367 63.1399 TIMING: 3230600 CPU: 9378.17, 0.00289575/step Wall: 9378.17, 0.00289575/step, 1.42326 hours remaining, 208.789062 MB of memory in use. ENERGY: 3230600 726.2507 2079.7228 1929.6548 107.9218 -205651.0356 17359.4511 0.0000 0.0000 34031.6309 -149416.4035 297.2067 -183448.0344 -149314.5897 298.7723 -231.8350 -198.8943 558746.2942 10.4084 10.2870 PRESSURE: 3230800 -298.706 -38.9752 -123.426 -38.9752 -125.453 -82.3667 -123.425 -82.3669 -311.73 GPRESSURE: 3230800 -247.665 13.0985 -149.889 -165.493 -145.939 -70.7388 -137.428 -65.1108 -249.311 PRESSAVG: 3230800 33.0809 -4.25736 -5.46135 -4.25739 -16.8814 -7.78358 -5.46126 -7.7835 -4.86582 GPRESSAVG: 3230800 33.6057 -3.22399 -6.6745 -4.80923 -17.6407 -7.2037 -5.86093 -6.59951 -5.42137 TIMING: 3230800 CPU: 9378.75, 0.00289318/step Wall: 9378.75, 0.00289318/step, 1.42184 hours remaining, 208.789062 MB of memory in use. ENERGY: 3230800 752.8351 2074.8193 1932.6918 116.4650 -205947.3703 17498.3191 0.0000 0.0000 34140.2465 -149431.9934 298.1553 -183572.2399 -149340.0978 299.3372 -245.2959 -214.3050 558584.4100 3.7779 3.5145 PRESSURE: 3231000 -133.892 -124.036 164.56 -124.036 -261.543 -128.075 164.561 -128.074 -80.7166 GPRESSURE: 3231000 -107.617 -104.376 198.096 -80.5285 -226.077 -92.7934 187.069 -160.574 -57.7852 PRESSAVG: 3231000 -23.6863 3.08486 41.8056 3.08489 -20.8261 9.49228 41.8056 9.49223 8.34732 GPRESSAVG: 3231000 -23.8996 3.49496 42.936 5.44269 -21.0156 10.1715 42.1087 6.98262 8.78504 TIMING: 3231000 CPU: 9379.34, 0.00296377/step Wall: 9379.34, 0.00296377/step, 1.45637 hours remaining, 208.789062 MB of memory in use. ENERGY: 3231000 738.3976 2080.3015 1921.6565 110.0817 -205846.6175 17544.2198 0.0000 0.0000 34178.9688 -149272.9917 298.4934 -183451.9605 -149178.7071 299.0336 -158.7170 -130.4930 558066.5444 -12.0550 -12.0434 PRESSURE: 3231200 -63.6944 47.1559 59.4989 47.1569 9.22857 7.11271 59.4998 7.11242 170.88 GPRESSURE: 3231200 23.0876 19.2304 84.8358 33.5929 -43.0334 -50.2822 44.3323 90.7974 235.174 PRESSAVG: 3231200 1.95388 -19.0115 27.4568 -19.0114 41.1278 -14.8056 27.4568 -14.8056 -32.5419 GPRESSAVG: 3231200 2.35484 -19.5212 26.1055 -20.9047 42.0961 -16.1428 26.4751 -12.8222 -33.9755 TIMING: 3231200 CPU: 9379.93, 0.00293277/step Wall: 9379.93, 0.00293277/step, 1.44097 hours remaining, 208.789062 MB of memory in use. ENERGY: 3231200 727.3400 2034.5946 1952.8598 99.7011 -206323.5119 17914.4455 0.0000 0.0000 34296.1239 -149298.4471 299.5166 -183594.5710 -149203.1571 298.8981 38.8048 71.7428 557701.7937 3.5133 3.4918 PRESSURE: 3231400 -220.592 -183.853 22.6907 -183.854 -104.021 -96.1421 22.6915 -96.1413 -310.914 GPRESSURE: 3231400 -216.636 -125.499 146.067 -191.731 -70.5979 -23.3826 -24.5283 -164.385 -255.209 PRESSAVG: 3231400 -0.400094 -2.17653 -4.244 -2.17653 -26.3695 37.4915 -4.24398 37.4914 37.2846 GPRESSAVG: 3231400 -1.21806 -3.18232 -2.4367 0.0800369 -25.7041 39.0018 -4.14672 36.144 37.729 TIMING: 3231400 CPU: 9380.51, 0.00292122/step Wall: 9380.51, 0.00292122/step, 1.43513 hours remaining, 208.789062 MB of memory in use. ENERGY: 3231400 720.4454 2107.7637 1978.8192 117.3265 -206187.6366 17611.3473 0.0000 0.0000 34237.4354 -149414.4991 299.0040 -183651.9344 -149316.1063 298.5657 -211.8422 -180.8144 556867.8395 3.5050 3.6023 PRESSURE: 3231600 -156.711 -95.5056 45.1819 -95.504 -199.239 -58.5205 45.1816 -58.5208 -94.9199 GPRESSURE: 3231600 -167.565 -23.0234 -81.5925 -13.4738 -182.16 -142.856 128.278 -10.7666 -15.0384 PRESSAVG: 3231600 -43.3086 48.9357 27.0248 48.9357 27.7067 -41.3656 27.0248 -41.3656 7.14565 GPRESSAVG: 3231600 -41.9845 47.5494 28.5645 48.1709 25.3073 -40.2482 26.0901 -41.2668 7.63834 TIMING: 3231600 CPU: 9381.1, 0.00292554/step Wall: 9381.1, 0.00292554/step, 1.43709 hours remaining, 208.789062 MB of memory in use. ENERGY: 3231600 784.2905 2114.6282 1929.4142 114.3775 -205839.7112 17528.4869 0.0000 0.0000 34026.3130 -149342.2009 297.1603 -183368.5139 -149247.6191 299.1519 -150.2901 -121.5876 559578.0483 -2.8188 -3.0129 PRESSURE: 3231800 2.29044 -128.663 18.8008 -128.661 -17.8789 -94.6971 18.8022 -94.6976 96.3085 GPRESSURE: 3231800 30.2008 -120.034 -9.58502 -69.8734 30.2638 -123.752 98.1268 -29.7806 115.356 PRESSAVG: 3231800 111.799 -6.17885 15.7169 -6.17892 -77.1681 -24.709 15.7168 -24.709 -31.3767 GPRESSAVG: 3231800 109.854 -5.07302 15.3046 -7.58554 -75.2653 -24.4109 17.1537 -25.0404 -31.6431 TIMING: 3231800 CPU: 9381.68, 0.00291331/step Wall: 9381.68, 0.00291331/step, 1.43092 hours remaining, 208.789062 MB of memory in use. ENERGY: 3231800 745.9528 2078.8621 1934.2668 107.4847 -206145.7625 17693.9715 0.0000 0.0000 34206.3605 -149378.8641 298.7327 -183585.2246 -149286.7073 299.0709 26.9067 58.6070 556490.9353 1.0847 0.9819 PRESSURE: 3232000 446.423 -56.4347 -43.1741 -56.4354 -7.30619 -3.25005 -43.1754 -3.24906 309.82 GPRESSURE: 3232000 501.721 -68.2677 -69.4083 -32.0624 46.1727 13.4206 -46.3482 3.24397 300.977 PRESSAVG: 3232000 33.7531 65.5167 26.3292 65.5167 14.8553 53.7097 26.3292 53.7099 -0.330474 GPRESSAVG: 3232000 34.3025 64.3373 24.5463 66.1422 13.665 52.9756 24.8478 54.7318 0.488866 TIMING: 3232000 CPU: 9382.27, 0.00293405/step Wall: 9382.27, 0.00293405/step, 1.44094 hours remaining, 208.789062 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: 3232000 705.1611 2052.8091 1952.6821 115.8896 -206528.1334 18227.3552 0.0000 0.0000 34125.3395 -149348.8968 298.0251 -183474.2363 -149262.3772 298.6248 249.6456 282.9570 556262.4849 16.0927 16.1521 PRESSURE: 3232200 28.486 65.514 56.3617 65.5153 -417.165 -1.00461 56.3617 -1.00569 -232.765 GPRESSURE: 3232200 64.1922 5.72462 126.285 82.336 -401.971 48.0378 13.4694 18.0444 -206.287 PRESSAVG: 3232200 88.5167 14.569 -17.7799 14.569 -54.675 -21.0747 -17.7799 -21.0748 -50.5517 GPRESSAVG: 3232200 89.3771 13.567 -18.1169 15.6635 -54.5356 -19.8188 -17.6358 -21.9686 -51.6462 TIMING: 3232200 CPU: 9382.84, 0.00288254/step Wall: 9382.84, 0.00288254/step, 1.41549 hours remaining, 208.789062 MB of memory in use. ENERGY: 3232200 747.1936 2112.1225 1947.8771 116.9400 -205882.9672 17394.1100 0.0000 0.0000 34344.0163 -149220.7077 299.9348 -183564.7240 -149123.9085 298.7889 -207.1477 -181.3551 558398.8563 -5.5700 -5.6016 LDB: ============= START OF LOAD BALANCING ============== 9386.31 LDB: ============== END OF LOAD BALANCING =============== 9386.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9386.31 LDB: ============= START OF LOAD BALANCING ============== 9386.6 LDB: Largest compute 4848 load 0.029142 is 24.7% of average load 0.117826 LDB: Average compute 0.001721 is 1.5% of average load 0.117826 LDB: TIME 9386.61 LOAD: AVG 0.117826 MAX 0.177986 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.238 MB LDB: TIME 9386.61 LOAD: AVG 0.117826 MAX 0.177986 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: TIME 9386.61 LOAD: AVG 0.117826 MAX 0.177986 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9386.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9386.61 PRESSURE: 3232400 -98.507 104.382 23.7214 104.381 -66.3138 148.39 23.7203 148.388 -144.305 GPRESSURE: 3232400 -117.571 125.614 -22.7429 37.6892 -29.8533 185.083 78.4018 114.943 -60.7993 PRESSAVG: 3232400 38.397 10.8466 28.2988 10.8465 -39.7241 26.0582 28.2989 26.0582 31.6114 GPRESSAVG: 3232400 36.4561 14.6251 28.746 8.69551 -38.978 24.4265 28.4144 27.4769 32.974 TIMING: 3232400 CPU: 9383.44, 0.0029819/step Wall: 9383.44, 0.0029819/step, 1.46411 hours remaining, 205.750000 MB of memory in use. ENERGY: 3232400 728.7817 2136.9984 1940.7055 107.8270 -205879.7631 17486.1569 0.0000 0.0000 34158.1896 -149321.1040 298.3120 -183479.2936 -149228.9065 299.4463 -103.0419 -69.4077 557982.1146 10.0948 10.1507 PRESSURE: 3232600 74.0854 149.907 -75.9171 149.907 -68.1921 -15.1395 -75.9173 -15.1385 -126.689 GPRESSURE: 3232600 119.111 173.69 -41.0441 113.179 -39.1384 -102.187 -105.359 -19.2681 -102.189 PRESSAVG: 3232600 -3.30967 17.9068 34.3173 17.9068 -10.0374 32.9486 34.3174 32.9487 -2.00358 GPRESSAVG: 3232600 -2.55861 15.5317 34.8333 18.5007 -10.5432 31.7869 32.4462 34.3325 -2.35481 TIMING: 3232600 CPU: 9384.02, 0.00289089/step Wall: 9384.02, 0.00289089/step, 1.41927 hours remaining, 205.894531 MB of memory in use. ENERGY: 3232600 747.9111 2085.1352 1932.7392 115.0324 -206154.7992 17707.0432 0.0000 0.0000 34143.4626 -149423.4753 298.1834 -183566.9380 -149321.6891 298.5366 -40.2653 -7.4055 556880.9535 -5.1169 -5.1522 PRESSURE: 3232800 -166.295 208.934 -15.8572 208.933 133.916 107.514 -15.8576 107.513 73.8898 GPRESSURE: 3232800 -111.637 149.859 -56.4851 244.452 134.601 139.959 17.2854 76.4563 123.703 PRESSAVG: 3232800 17.0767 15.0572 41.3392 15.0573 50.048 -12.5825 41.3391 -12.5826 -97.577 GPRESSAVG: 3232800 16.9307 14.3244 42.1424 15.1293 49.9698 -12.7644 42.8266 -14.2993 -97.6336 TIMING: 3232800 CPU: 9384.6, 0.00290925/step Wall: 9384.6, 0.00290925/step, 1.42812 hours remaining, 205.894531 MB of memory in use. ENERGY: 3232800 766.9501 2070.0092 1958.3159 110.4356 -206105.0332 17776.1848 0.0000 0.0000 34217.2613 -149205.8764 298.8279 -183423.1376 -149112.4446 298.6259 13.8371 48.8886 556801.6623 -10.1508 -10.2444 PRESSURE: 3233000 -174.306 32.4411 -73.0354 32.4422 51.0059 62.6825 -73.0348 62.6815 -255.823 GPRESSURE: 3233000 -91.7948 11.8973 -133.616 109.405 85.0922 -6.37066 -52.4942 -8.62362 -271.481 PRESSAVG: 3233000 10.9314 -18.9945 -30.5647 -18.9944 67.9809 -3.58437 -30.5647 -3.58431 -40.413 GPRESSAVG: 3233000 10.9627 -19.1816 -32.4929 -18.2414 68.3877 -1.9441 -29.1653 -4.23926 -40.7805 TIMING: 3233000 CPU: 9385.18, 0.00291871/step Wall: 9385.18, 0.00291871/step, 1.4326 hours remaining, 205.894531 MB of memory in use. ENERGY: 3233000 754.1121 2079.7432 1952.5990 110.9482 -205786.6064 17529.3426 0.0000 0.0000 34217.8745 -149141.9869 298.8332 -183359.8614 -149049.9134 299.7268 -126.3744 -92.7278 557477.6293 12.8331 12.8567 PRESSURE: 3233200 -186.061 68.4245 93.5426 68.4249 95.2 110.477 93.542 110.477 -94.8021 GPRESSURE: 3233200 -115.669 138.73 37.8696 8.95389 93.4155 21.4599 65.7582 176.83 -75.3149 PRESSAVG: 3233200 7.76937 4.75896 17.9814 4.75894 -3.06524 -13.9065 17.9814 -13.9064 -4.69969 GPRESSAVG: 3233200 7.52759 4.65557 19.3771 4.45258 -2.60558 -13.703 16.7744 -13.5695 -4.89311 TIMING: 3233200 CPU: 9385.77, 0.00293367/step Wall: 9385.77, 0.00293367/step, 1.43978 hours remaining, 205.894531 MB of memory in use. ENERGY: 3233200 745.9307 2073.0546 1943.7099 119.6284 -206088.6853 17662.8995 0.0000 0.0000 34380.9044 -149162.5577 300.2570 -183543.4622 -149070.1542 299.2900 -61.8875 -32.5227 558493.7552 0.0015 0.0096 PRESSURE: 3233400 -295.489 33.9707 91.2621 33.9717 25.7434 41.3343 91.2638 41.3357 -218.94 GPRESSURE: 3233400 -277.49 26.2081 40.3414 86.402 35.8999 34.3553 157.846 -6.29943 -144.641 PRESSAVG: 3233400 -55.4356 32.0987 -37.2586 32.0987 46.658 -0.0898262 -37.2585 -0.0898696 -31.4228 GPRESSAVG: 3233400 -54.1957 34.5086 -37.0997 31.9955 45.3839 -2.03484 -37.3131 0.658433 -31.0714 TIMING: 3233400 CPU: 9386.36, 0.00293561/step Wall: 9386.36, 0.00293561/step, 1.44057 hours remaining, 205.894531 MB of memory in use. ENERGY: 3233400 753.0836 2071.7297 1966.0743 126.0510 -206282.8508 17676.3000 0.0000 0.0000 34354.1405 -149335.4717 300.0233 -183689.6121 -149238.1394 298.2327 -162.8952 -128.7436 558721.1257 -13.4001 -13.2944 PRESSURE: 3233600 -13.9625 -63.0814 13.5761 -63.0821 41.3663 6.39461 13.5769 6.39424 14.3233 GPRESSURE: 3233600 21.6588 -116.833 28.2094 -146.3 109.277 -48.7801 60.2047 61.3691 0.851829 PRESSAVG: 3233600 -45.9319 -3.42894 25.3438 -3.42899 74.5173 -2.32408 25.3438 -2.32399 -2.47004 GPRESSAVG: 3233600 -47.3164 -4.44144 24.3808 -3.3794 75.9471 -3.04437 25.8365 -0.634913 -2.61795 TIMING: 3233600 CPU: 9386.94, 0.002915/step Wall: 9386.94, 0.002915/step, 1.43029 hours remaining, 205.894531 MB of memory in use. ENERGY: 3233600 765.9901 2111.4367 1975.1404 117.6775 -205808.8677 17631.4818 0.0000 0.0000 34103.6216 -149103.5195 297.8354 -183207.1411 -149007.6434 299.2282 13.9090 43.9292 557193.3829 8.7051 8.6709 PRESSURE: 3233800 -113.771 15.1949 -5.33428 15.1939 -57.9205 47.7944 -5.33451 47.7956 -307.878 GPRESSURE: 3233800 -62.9903 104.255 53.984 -19.8295 -67.3261 -55.9602 19.1996 22.5151 -258.295 PRESSAVG: 3233800 -38.208 15.4289 -38.9949 15.4289 59.534 7.99096 -38.9949 7.99102 -15.3164 GPRESSAVG: 3233800 -37.172 17.6318 -39.5804 15.4843 59.2756 10.667 -37.8304 3.44585 -15.8939 TIMING: 3233800 CPU: 9387.53, 0.00293142/step Wall: 9387.53, 0.00293142/step, 1.43819 hours remaining, 205.894531 MB of memory in use. ENERGY: 3233800 748.9679 2067.4421 1946.5665 115.5652 -205888.3368 17520.4000 0.0000 0.0000 34298.2149 -149191.1802 299.5348 -183489.3951 -149086.6302 299.6333 -159.8565 -129.5370 556913.5345 2.0032 2.0699 PRESSURE: 3234000 -176.83 -64.8573 -67.2535 -64.8574 23.5934 -18.2781 -67.2545 -18.2774 -183.543 GPRESSURE: 3234000 -160.278 -90.193 -59.5416 -46.8352 16.5787 54.5768 -108.522 -5.45704 -85.9246 PRESSAVG: 3234000 20.484 -4.00859 -33.0683 -4.00862 -43.0628 -62.1793 -33.0683 -62.1793 -3.42552 GPRESSAVG: 3234000 20.2769 -6.92947 -30.8579 -4.06006 -43.7338 -62.2361 -34.5277 -61.0913 -2.90628 TIMING: 3234000 CPU: 9388.11, 0.00292227/step Wall: 9388.11, 0.00292227/step, 1.43354 hours remaining, 205.894531 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: 3234000 747.1031 2098.2785 1957.4402 119.5396 -205817.8120 17630.7712 0.0000 0.0000 34333.6901 -148930.9893 299.8447 -183264.6794 -148836.0020 299.2087 -112.2597 -76.5413 557509.3001 -8.6681 -8.7877 PRESSURE: 3234200 66.3366 21.9665 89.5777 21.9665 -160.777 -307.048 89.5778 -307.049 58.8083 GPRESSURE: 3234200 76.7174 56.2793 140.956 -62.5469 -113.863 -242.546 22.3282 -343.903 89.5251 PRESSAVG: 3234200 22.6746 9.84362 -29.0135 9.84363 -43.1734 -52.4633 -29.0136 -52.4632 6.73112 GPRESSAVG: 3234200 21.7229 8.80359 -30.0063 10.367 -42.1072 -51.4497 -27.6808 -52.0265 6.38032 TIMING: 3234200 CPU: 9388.69, 0.00292158/step Wall: 9388.69, 0.00292158/step, 1.43303 hours remaining, 205.894531 MB of memory in use. ENERGY: 3234200 727.7854 2059.9203 1946.2346 108.1028 -206043.1421 17871.3869 0.0000 0.0000 34316.6858 -149013.0264 299.6962 -183329.7121 -148917.8452 300.2267 -11.8773 17.4599 557476.1867 -4.5892 -4.6680 PRESSURE: 3234400 -304.847 119.265 -55.0524 119.265 -176.113 -220.816 -55.0514 -220.814 90.0034 GPRESSURE: 3234400 -220.49 126.895 -109.719 92.2029 -164.579 -306.863 -45.2654 -101.31 97.1755 PRESSAVG: 3234400 -89.637 -1.9249 23.8421 -1.92495 56.3689 -35.2777 23.842 -35.2777 9.78955 GPRESSAVG: 3234400 -88.7411 0.697728 25.4266 -3.07624 54.8081 -36.4231 22.5624 -33.6658 10.0098 TIMING: 3234400 CPU: 9389.27, 0.00290149/step Wall: 9389.27, 0.00290149/step, 1.42302 hours remaining, 205.894531 MB of memory in use. ENERGY: 3234400 750.1552 2059.9452 1974.0128 123.1187 -205801.2376 17719.0275 0.0000 0.0000 34009.5291 -149165.4491 297.0137 -183174.9782 -149065.9848 299.8572 -130.3188 -95.9648 557547.9913 -7.8262 -7.9744 PRESSURE: 3234600 -119.335 90.7028 40.8761 90.7026 -168.518 124.257 40.8769 124.259 -254.334 GPRESSURE: 3234600 -77.7059 65.7065 56.9375 141.942 -145.186 145.256 114.157 94.8543 -222.265 PRESSAVG: 3234600 3.5651 36.5165 31.329 36.5165 77.8506 47.1891 31.329 47.189 -87.7854 GPRESSAVG: 3234600 3.82763 35.5365 29.2607 37.0127 77.7528 48.7434 32.0576 44.4931 -87.8935 TIMING: 3234600 CPU: 9389.86, 0.00294103/step Wall: 9389.86, 0.00294103/step, 1.44225 hours remaining, 206.187500 MB of memory in use. ENERGY: 3234600 758.8315 2091.9495 1973.3595 112.6763 -206204.1511 17643.5335 0.0000 0.0000 34297.1477 -149326.6532 299.5255 -183623.8008 -149222.5767 298.5684 -180.7292 -148.3857 557358.7051 -2.1232 -2.1044 PRESSURE: 3234800 36.8717 -58.1302 -26.4713 -58.1305 263.102 -59.3189 -26.4719 -59.3188 -154.37 GPRESSURE: 3234800 94.8061 -103.851 -96.0858 -18.2981 244.301 -78.0633 -15.871 -47.5294 -74.8945 PRESSAVG: 3234800 -38.062 -12.9721 52.8584 -12.9721 26.4364 57.1432 52.8585 57.1432 50.1346 GPRESSAVG: 3234800 -38.3096 -14.0344 53.1735 -12.0755 27.0913 55.8864 52.9312 58.3843 49.1474 TIMING: 3234800 CPU: 9390.45, 0.00291485/step Wall: 9390.45, 0.00291485/step, 1.42925 hours remaining, 206.187500 MB of memory in use. ENERGY: 3234800 785.7067 2112.5581 1973.5073 129.3107 -206712.0560 18094.3302 0.0000 0.0000 34379.3347 -149237.3083 300.2433 -183616.6430 -149142.6553 298.6439 48.5345 88.0709 556125.0066 12.8363 12.6430 PRESSURE: 3235000 -306.834 115.874 -69.566 115.874 -66.0383 123.651 -69.5661 123.652 -291.635 GPRESSURE: 3235000 -227.124 129.777 -47.9875 186.922 -81.8328 89.8616 -88.6346 132.982 -254.789 PRESSAVG: 3235000 -39.0448 28.6291 -5.27049 28.6292 48.2275 -11.6561 -5.27056 -11.6561 5.02962 GPRESSAVG: 3235000 -37.8161 28.3189 -3.69384 28.7814 47.5068 -12.4059 -5.74179 -12.8495 4.82593 TIMING: 3235000 CPU: 9391.03, 0.00290219/step Wall: 9391.03, 0.00290219/step, 1.42288 hours remaining, 206.187500 MB of memory in use. ENERGY: 3235000 752.8812 2079.5723 1993.3032 103.2156 -206286.8522 17608.5658 0.0000 0.0000 34246.0211 -149503.2931 299.0790 -183749.3142 -149401.4833 298.1693 -221.5025 -187.9155 557129.5454 4.7374 4.8389 PRESSURE: 3235200 -98.294 -45.3335 115.804 -45.3338 -194.248 4.14918 115.804 4.14899 53.2666 GPRESSURE: 3235200 -100.793 -33.009 82.0211 -7.64365 -124.519 -104.945 143.972 168.183 80.1985 PRESSAVG: 3235200 -16.9189 11.1792 11.8402 11.1792 53.3869 36.8126 11.8402 36.8126 -13.2225 GPRESSAVG: 3235200 -18.2184 11.5201 9.51288 10.7747 54.1594 38.3658 13.4899 36.4653 -13.4412 TIMING: 3235200 CPU: 9391.6, 0.00288374/step Wall: 9391.6, 0.00288374/step, 1.41367 hours remaining, 206.187500 MB of memory in use. ENERGY: 3235200 730.5793 2099.4313 1966.9860 119.2402 -206194.5424 17642.2083 0.0000 0.0000 34234.9492 -149401.1481 298.9823 -183636.0973 -149302.8303 298.3883 -79.7583 -48.3712 558067.9288 7.7485 7.4999 PRESSURE: 3235400 -144.99 -180.626 148.697 -180.626 94.0735 70.6836 148.698 70.6838 95.6977 GPRESSURE: 3235400 -74.4212 -199.482 140.677 -182.406 75.8738 10.66 67.4299 65.5938 137.537 PRESSAVG: 3235400 -12.8723 8.05726 23.0237 8.05726 -37.1069 19.5501 23.0238 19.55 39.1846 GPRESSAVG: 3235400 -12.0586 8.69624 23.0644 6.84315 -38.7604 19.1817 21.9114 20.8624 39.4361 TIMING: 3235400 CPU: 9392.18, 0.00287445/step Wall: 9392.18, 0.00287445/step, 1.40896 hours remaining, 206.187500 MB of memory in use. ENERGY: 3235400 705.1146 2090.9439 1933.0952 131.4588 -206475.2462 17984.1672 0.0000 0.0000 34296.3961 -149334.0704 299.5190 -183630.4664 -149235.7693 298.6996 14.9270 46.3299 559038.2864 -3.5982 -3.7943 PRESSURE: 3235600 50.8266 62.5545 -109.844 62.5528 -116.796 159.953 -109.843 159.952 41.0269 GPRESSURE: 3235600 73.495 62.751 -100.092 43.5768 -70.9812 102.865 -82.5809 257.886 61.8739 PRESSAVG: 3235600 -21.2698 13.9209 51.5397 13.9209 -29.0671 26.0286 51.5397 26.0287 50.7214 GPRESSAVG: 3235600 -21.9313 14.3232 53.5871 14.1695 -28.4135 24.5221 52.0784 25.7995 50.8624 TIMING: 3235600 CPU: 9392.75, 0.00288094/step Wall: 9392.75, 0.00288094/step, 1.41198 hours remaining, 206.187500 MB of memory in use. ENERGY: 3235600 785.8951 2078.8094 1969.6229 117.9373 -206574.3080 18178.9242 0.0000 0.0000 34322.6396 -149120.4795 299.7481 -183443.1191 -149024.0248 299.1819 -8.3140 21.4626 558981.6474 0.1282 0.1725 PRESSURE: 3235800 139.217 -81.0806 -23.8213 -81.0798 104.109 74.5477 -23.8218 74.5463 4.20337 GPRESSURE: 3235800 167.299 -99.3505 1.06035 5.84318 136.289 84.0247 -46.1361 54.7382 46.3492 PRESSAVG: 3235800 -17.6884 23.4833 -19.8245 23.4832 3.50883 34.3216 -19.8246 34.3216 53.4666 GPRESSAVG: 3235800 -17.1875 23.8358 -20.8961 25.6684 2.64204 35.4694 -20.404 34.3461 53.9324 TIMING: 3235800 CPU: 9393.33, 0.00288909/step Wall: 9393.33, 0.00288909/step, 1.41581 hours remaining, 206.187500 MB of memory in use. ENERGY: 3235800 661.3943 2142.1616 1941.7491 107.7566 -206055.3891 17789.7462 0.0000 0.0000 34277.6446 -149134.9368 299.3552 -183412.5814 -149042.2930 299.7526 82.5100 116.6457 557949.9422 13.0957 13.1290 PRESSURE: 3236000 67.9762 2.01489 215.745 2.01455 -58.4549 -102.763 215.745 -102.762 216.824 GPRESSURE: 3236000 21.4987 23.7438 215.094 -51.3879 19.3135 -137.025 275.779 3.992 285.104 PRESSAVG: 3236000 -45.6867 34.8565 4.31678 34.8564 -26.9555 20.498 4.31678 20.498 105.634 GPRESSAVG: 3236000 -45.3907 34.9091 3.28076 34.4209 -25.8983 22.3268 5.12087 19.1658 103.966 TIMING: 3236000 CPU: 9393.91, 0.00291429/step Wall: 9393.91, 0.00291429/step, 1.428 hours remaining, 206.187500 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: 3236000 707.4065 2140.6900 1943.7941 112.1888 -205910.1055 17903.0483 0.0000 0.0000 34032.5272 -149070.4506 297.2145 -183102.9778 -148977.8008 299.3737 75.4483 108.6387 557225.3294 10.9972 10.8923 PRESSURE: 3236200 -34.2796 -1.22855 66.0239 -1.22908 -45.2357 -158.911 66.0236 -158.912 -229.128 GPRESSURE: 3236200 13.6773 65.6089 117.425 29.2866 -58.1071 -76.8325 16.8044 -206.425 -171.705 PRESSAVG: 3236200 39.7013 -5.74334 29.7847 -5.74332 -71.1486 -39.279 29.7848 -39.279 24.097 GPRESSAVG: 3236200 38.0994 -3.9734 32.766 -5.83665 -71.7916 -39.81 28.6293 -39.6114 26.3929 TIMING: 3236200 CPU: 9394.5, 0.00291244/step Wall: 9394.5, 0.00291244/step, 1.42693 hours remaining, 206.187500 MB of memory in use. ENERGY: 3236200 744.8971 2151.8125 1957.3820 109.5865 -205737.8401 17481.2999 0.0000 0.0000 34076.8304 -149216.0318 297.6014 -183292.8622 -149119.5872 298.5818 -102.8811 -72.0448 557023.3855 -2.4501 -2.4331 LDB: ============= START OF LOAD BALANCING ============== 9397.96 LDB: ============== END OF LOAD BALANCING =============== 9397.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9397.96 LDB: ============= START OF LOAD BALANCING ============== 9398.26 LDB: Largest compute 4848 load 0.029253 is 24.8% of average load 0.117776 LDB: Average compute 0.001731 is 1.5% of average load 0.117776 LDB: TIME 9398.26 LOAD: AVG 0.117776 MAX 0.176719 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 9398.26 LOAD: AVG 0.117776 MAX 0.176719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: TIME 9398.26 LOAD: AVG 0.117776 MAX 0.176719 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.477 MB LDB: ============== END OF LOAD BALANCING =============== 9398.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9398.26 PRESSURE: 3236400 -87.5337 -54.8512 41.9457 -54.8514 -104.207 -58.3238 41.9455 -58.3234 -251.293 GPRESSURE: 3236400 -51.8923 -36.9681 50.7966 -5.89684 -62.8167 -53.2221 57.6129 -0.573662 -227.55 PRESSAVG: 3236400 21.3198 30.1239 -16.1447 30.1239 2.55385 -13.003 -16.1448 -13.0031 -61.0984 GPRESSAVG: 3236400 21.83 28.76 -17.0547 29.0695 3.41561 -13.327 -16.6421 -10.7726 -62.0126 TIMING: 3236400 CPU: 9395.09, 0.00296236/step Wall: 9395.09, 0.00296236/step, 1.45123 hours remaining, 207.804688 MB of memory in use. ENERGY: 3236400 759.9643 2111.2424 1944.1350 104.0927 -206338.8767 17767.5261 0.0000 0.0000 34327.7485 -149324.1676 299.7928 -183651.9162 -149228.6455 299.0417 -147.6778 -114.0865 556686.2142 -12.4083 -12.2557 PRESSURE: 3236600 -132.198 13.5326 35.4117 13.5322 -34.0273 108.382 35.4117 108.382 -122.042 GPRESSURE: 3236600 -80.3573 -10.5094 13.609 -39.7813 -55.1396 131.5 23.8875 147.572 -54.7548 PRESSAVG: 3236600 -1.3489 -22.4146 48.6766 -22.4147 -24.0172 -91.8388 48.6766 -91.8389 48.3133 GPRESSAVG: 3236600 -1.00307 -21.6819 47.2461 -22.3703 -24.7819 -92.757 50.2089 -93.9437 48.9973 TIMING: 3236600 CPU: 9395.67, 0.00292144/step Wall: 9395.67, 0.00292144/step, 1.43102 hours remaining, 208.203125 MB of memory in use. ENERGY: 3236600 746.0706 2091.9671 1968.7271 115.3938 -206207.8200 17708.0689 0.0000 0.0000 34305.6695 -149271.9230 299.5999 -183577.5925 -149167.9968 299.5384 -96.0892 -63.4172 557841.3587 7.6491 7.7375 PRESSURE: 3236800 -74.4325 -69.6767 -141.918 -69.6774 -111.503 -40.2896 -141.919 -40.2905 -3.83744 GPRESSURE: 3236800 -80.5354 -88.3002 -143.691 -62.1126 -63.5051 23.2556 -110.597 -6.23845 67.7536 PRESSAVG: 3236800 39.5111 4.72347 -45.8496 4.7234 -8.83572 -10.652 -45.8496 -10.6521 0.742789 GPRESSAVG: 3236800 39.4583 3.48891 -44.4822 4.03538 -8.85711 -10.2811 -46.5323 -10.2631 0.792347 TIMING: 3236800 CPU: 9396.26, 0.00291512/step Wall: 9396.26, 0.00291512/step, 1.42776 hours remaining, 208.203125 MB of memory in use. ENERGY: 3236800 734.3112 2101.0299 1985.8064 122.1469 -206274.4755 17825.9930 0.0000 0.0000 34405.2002 -149099.9880 300.4692 -183505.1882 -148999.1166 298.8800 -63.2577 -25.4290 557730.2463 10.4727 10.4645 PRESSURE: 3237000 238.29 -62.6481 -217.581 -62.6474 -17.7741 -146.926 -217.581 -146.924 49.2181 GPRESSURE: 3237000 247.937 -102.622 -150.766 31.8866 -9.67902 -172.647 -218.026 -163.362 126.545 PRESSAVG: 3237000 13.5152 -40.0641 -25.6198 -40.0641 -16.4411 -27.4862 -25.6198 -27.4862 -58.2203 GPRESSAVG: 3237000 13.8362 -38.1611 -23.6918 -39.8548 -16.3366 -28.9453 -27.6215 -26.1121 -58.4219 TIMING: 3237000 CPU: 9396.84, 0.00289272/step Wall: 9396.84, 0.00289272/step, 1.41663 hours remaining, 208.203125 MB of memory in use. ENERGY: 3237000 728.5583 2114.0928 1961.0336 128.4909 -206041.3248 17811.9170 0.0000 0.0000 34233.9536 -149063.2786 298.9736 -183297.2322 -148967.4158 299.3897 89.9115 121.6010 556385.8883 -20.3820 -20.3074 PRESSURE: 3237200 -0.554708 32.4619 -169.854 32.4608 96.0478 13.8496 -169.855 13.8497 -209.876 GPRESSURE: 3237200 8.05324 81.4065 -237.883 8.24637 184.632 19.9407 -173.081 -18.7901 -209.37 PRESSAVG: 3237200 -18.4898 -53.8776 59.3559 -53.8776 40.58 34.8725 59.3559 34.8724 -35.4326 GPRESSAVG: 3237200 -17.4987 -55.0136 58.2465 -53.3827 40.3846 36.8693 59.91 33.3819 -35.886 TIMING: 3237200 CPU: 9397.41, 0.00288776/step Wall: 9397.41, 0.00288776/step, 1.41404 hours remaining, 208.203125 MB of memory in use. ENERGY: 3237200 732.5004 2100.6214 1950.4700 111.9695 -206128.7921 17787.1014 0.0000 0.0000 34308.9051 -149137.2244 299.6282 -183446.1294 -149037.5326 299.0994 -38.1276 -5.5617 557844.3253 -4.4475 -4.3334 PRESSURE: 3237400 191.168 -20.4012 88.416 -20.4025 176.009 -172.31 88.4169 -172.31 71.1056 GPRESSURE: 3237400 243.824 -86.5076 102.611 0.453458 191.101 -117.96 70.2707 -197.553 93.0941 PRESSAVG: 3237400 -17.3974 -29.4408 -51.3709 -29.4408 46.9119 1.09357 -51.371 1.09352 -14.865 GPRESSAVG: 3237400 -18.5348 -30.7178 -50.4052 -29.2618 47.3534 0.0744589 -51.2321 1.99159 -14.3206 TIMING: 3237400 CPU: 9397.99, 0.00290164/step Wall: 9397.99, 0.00290164/step, 1.42068 hours remaining, 208.203125 MB of memory in use. ENERGY: 3237400 757.5429 2036.0563 1968.2632 107.9588 -206392.6549 18083.2969 0.0000 0.0000 34272.2655 -149167.2713 299.3082 -183439.5367 -149059.9685 299.0720 146.0940 176.0063 557510.7749 4.8832 4.8327 PRESSURE: 3237600 -120.12 -43.0492 83.8541 -43.0493 -199.943 119.917 83.8551 119.917 -384.694 GPRESSURE: 3237600 -112.99 -11.0064 -24.3213 -11.486 -151.526 211.97 128.266 64.7008 -337.288 PRESSAVG: 3237600 22.03 -32.7153 32.8509 -32.7153 11.1344 -12.6525 32.8509 -12.6525 -41.433 GPRESSAVG: 3237600 23.1356 -30.1854 30.4117 -34.7537 11.0484 -10.0312 33.4234 -13.8759 -42.8444 TIMING: 3237600 CPU: 9398.57, 0.0029015/step Wall: 9398.57, 0.0029015/step, 1.42044 hours remaining, 208.406250 MB of memory in use. ENERGY: 3237600 720.5652 2061.0926 1947.1411 111.3154 -205783.8349 17555.2983 0.0000 0.0000 34255.9463 -149132.4761 299.1657 -183388.4224 -149031.2726 299.2165 -234.9190 -200.6014 558757.7061 -2.7562 -2.8868 PRESSURE: 3237800 -277.999 -153.222 69.601 -153.222 -129.737 -44.513 69.6028 -44.5126 -204.356 GPRESSURE: 3237800 -275.234 -103.375 58.9736 -169.602 -92.52 -42.956 92.6014 -65.207 -148.705 PRESSAVG: 3237800 44.0717 -10.8195 34.3659 -10.8195 -4.99444 -58.6119 34.3659 -58.6117 -26.0437 GPRESSAVG: 3237800 41.7993 -13.9076 36.6062 -9.72302 -3.94832 -61.3652 34.6532 -56.8191 -24.7523 TIMING: 3237800 CPU: 9399.15, 0.00288478/step Wall: 9399.15, 0.00288478/step, 1.4121 hours remaining, 208.406250 MB of memory in use. ENERGY: 3237800 766.0016 2079.8898 1956.4297 107.6275 -206099.6720 17651.6127 0.0000 0.0000 34494.0470 -149044.0635 301.2451 -183538.1106 -148948.0125 299.9425 -204.0306 -172.1529 558127.2043 4.3445 4.3662 PRESSURE: 3238000 -155.836 -11.9922 89.2706 -11.9938 172.817 -105.466 89.269 -105.466 -34.8191 GPRESSURE: 3238000 -154.984 -1.6185 177.491 92.5079 233.992 -75.3103 12.6905 -49.4373 -8.33187 PRESSAVG: 3238000 67.8675 -0.283679 42.0125 -0.283601 -38.1698 -38.7719 42.0125 -38.7719 -37.4692 GPRESSAVG: 3238000 68.9417 1.64125 40.7266 -0.158693 -38.8393 -38.2224 41.936 -39.1902 -37.8218 TIMING: 3238000 CPU: 9399.73, 0.00292118/step Wall: 9399.73, 0.00292118/step, 1.42975 hours remaining, 208.406250 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: 3238000 747.2230 2032.2915 1981.8564 126.1993 -206039.1102 17855.3133 0.0000 0.0000 34240.8834 -149055.3432 299.0342 -183296.2266 -148962.2190 299.2579 -5.9461 23.5587 557487.9353 -2.5905 -2.5731 PRESSURE: 3238200 -42.3727 147.848 -12.4006 147.848 -46.2918 167.727 -12.4001 167.726 -43.2267 GPRESSURE: 3238200 39.1891 181.03 -66.5012 55.7992 -51.6234 199.962 3.96561 125.619 -29.3335 PRESSAVG: 3238200 15.6164 -63.6683 29.2745 -63.6682 -12.0661 34.048 29.2746 34.0481 -5.62632 GPRESSAVG: 3238200 15.654 -63.0361 29.2213 -65.5293 -13.2554 32.8135 29.2359 33.2825 -4.71843 TIMING: 3238200 CPU: 9400.32, 0.00291819/step Wall: 9400.32, 0.00291819/step, 1.42813 hours remaining, 208.406250 MB of memory in use. ENERGY: 3238200 745.8937 2056.7435 1956.6712 118.3117 -206255.2614 17748.3135 0.0000 0.0000 34600.0159 -149029.3121 302.1705 -183629.3279 -148933.1534 299.6482 -43.9638 -13.9226 555950.2524 -0.6920 -0.7733 PRESSURE: 3238400 -51.568 22.9624 -19.6787 22.9625 77.991 40.8505 -19.6788 40.8514 -70.5041 GPRESSURE: 3238400 11.5656 9.33725 -3.18246 -84.3633 71.7952 48.9882 -137.763 61.3487 -23.0287 PRESSAVG: 3238400 -2.30717 -49.8712 -26.2109 -49.8712 -35.4505 23.4436 -26.211 23.4436 42.4796 GPRESSAVG: 3238400 -1.32888 -49.522 -24.6093 -49.6073 -35.6872 22.0436 -26.1011 24.1791 42.4062 TIMING: 3238400 CPU: 9400.9, 0.00291575/step Wall: 9400.9, 0.00291575/step, 1.42677 hours remaining, 208.406250 MB of memory in use. ENERGY: 3238400 778.7417 2102.3702 1947.6779 118.3877 -206236.4050 17769.3952 0.0000 0.0000 34425.4655 -149094.3668 300.6462 -183519.8323 -148988.0321 300.3505 -14.6937 20.1107 557772.8244 1.5740 1.7967 PRESSURE: 3238600 -72.4395 -107.925 -131.437 -107.926 114.725 -60.4843 -131.438 -60.486 -233.562 GPRESSURE: 3238600 -86.2576 -78.1707 -86.1416 -151.026 139.542 -101.521 -132.962 -64.3012 -151.44 PRESSAVG: 3238600 -8.61643 -29.2639 39.1052 -29.2639 3.51656 -11.5249 39.1052 -11.5249 0.124384 GPRESSAVG: 3238600 -9.20071 -29.6647 38.04 -29.5958 4.29988 -9.89884 37.0592 -11.3254 0.131192 TIMING: 3238600 CPU: 9401.49, 0.0029214/step Wall: 9401.49, 0.0029214/step, 1.42937 hours remaining, 208.406250 MB of memory in use. ENERGY: 3238600 744.7126 2164.5973 1948.2488 98.4477 -205840.6390 17665.3534 0.0000 0.0000 34204.6647 -149014.6146 298.7178 -183219.2793 -148919.8579 299.0574 -63.7588 -32.7188 559299.4182 -1.6585 -1.5899 PRESSURE: 3238800 132.563 32.881 -184.614 32.8814 301.181 -8.81255 -184.614 -8.81216 165.443 GPRESSURE: 3238800 178.137 112.636 -216.012 -0.188782 284.899 30.66 -187.468 -4.07689 221.77 PRESSAVG: 3238800 11.9352 10.8202 -16.8005 10.8201 -0.398067 -1.71934 -16.8005 -1.71939 -48.7464 GPRESSAVG: 3238800 11.0737 8.9303 -19.331 12.0885 0.364999 -1.0883 -13.8146 -2.67456 -48.6906 TIMING: 3238800 CPU: 9402.07, 0.00289983/step Wall: 9402.07, 0.00289983/step, 1.41866 hours remaining, 208.406250 MB of memory in use. ENERGY: 3238800 721.1342 2061.2145 1965.5662 102.5267 -206190.2964 17973.6370 0.0000 0.0000 34244.6500 -149121.5678 299.0670 -183366.2177 -149025.4912 299.2647 199.7291 228.2689 558074.8203 -12.4031 -12.4173 PRESSURE: 3239000 -87.694 -49.7506 -52.5191 -49.7511 -47.1251 71.0311 -52.518 71.0317 -47.9147 GPRESSURE: 3239000 -47.231 25.7793 -59.8448 -104.049 6.1824 107.987 -113.337 101.535 -34.8083 PRESSAVG: 3239000 -81.9202 12.3862 -24.6929 12.3863 4.54568 30.6943 -24.693 30.6944 45.0219 GPRESSAVG: 3239000 -82.2534 12.1271 -21.6527 14.5415 5.1005 30.4745 -26.9623 32.9312 45.0843 TIMING: 3239000 CPU: 9402.65, 0.00290378/step Wall: 9402.65, 0.00290378/step, 1.42043 hours remaining, 208.406250 MB of memory in use. ENERGY: 3239000 759.1568 2068.1283 1970.7170 104.2648 -206145.8707 17798.1290 0.0000 0.0000 34279.3070 -149166.1677 299.3697 -183445.4748 -149065.2652 299.3559 -60.9113 -25.2857 559209.5250 -10.7842 -10.6895 PRESSURE: 3239200 -190.693 70.1217 -13.4422 70.1222 -140.386 -99.0864 -13.4426 -99.085 -186.014 GPRESSURE: 3239200 -171.619 113.604 -13.4933 120.099 -103.626 -54.1945 5.63365 -160.895 -150.587 PRESSAVG: 3239200 -2.00359 43.5572 22.7905 43.5572 24.3314 3.27292 22.7905 3.27306 9.70864 GPRESSAVG: 3239200 -0.457267 47.0374 21.6938 39.2401 23.1611 4.68838 24.1304 1.49073 9.66371 TIMING: 3239200 CPU: 9403.23, 0.00291992/step Wall: 9403.23, 0.00291992/step, 1.42817 hours remaining, 208.406250 MB of memory in use. ENERGY: 3239200 763.9381 2149.1566 1972.2551 121.0895 -206211.1644 17738.1463 0.0000 0.0000 34310.9794 -149155.5994 299.6463 -183466.5788 -149066.2643 299.1551 -172.3643 -141.9440 557803.9977 10.6788 10.7892 PRESSURE: 3239400 -69.696 11.6541 44.0772 11.6545 -61.1823 -143.155 44.0775 -143.154 -291.921 GPRESSURE: 3239400 14.3094 -15.1867 108.647 13.7725 -30.3685 -138.878 78.156 -87.6046 -307.951 PRESSAVG: 3239400 -14.5895 37.5323 12.3699 37.5323 67.7099 -22.0647 12.3698 -22.0647 -31.0407 GPRESSAVG: 3239400 -14.4907 34.0981 13.2163 40.3315 68.468 -25.3228 11.4227 -22.0227 -31.7794 TIMING: 3239400 CPU: 9403.81, 0.00289175/step Wall: 9403.81, 0.00289175/step, 1.41423 hours remaining, 208.406250 MB of memory in use. ENERGY: 3239400 793.3851 2079.8240 1932.5414 112.3261 -205940.7953 17579.0498 0.0000 0.0000 34308.2516 -149135.4174 299.6225 -183443.6690 -149038.8352 299.3114 -140.9330 -108.0033 557219.9799 7.3599 7.3993 PRESSURE: 3239600 -131.828 113.466 49.8754 113.467 -115.947 -24.6104 49.8747 -24.6107 1.89352 GPRESSURE: 3239600 -125.394 81.3319 80.9135 154.486 -112.103 17.0011 50.1456 -62.9076 79.5339 PRESSAVG: 3239600 -16.9072 -0.115626 38.023 -0.115679 2.32849 -7.02725 38.023 -7.02725 35.9381 GPRESSAVG: 3239600 -17.7875 1.18578 37.6403 -2.95619 2.07606 -3.3872 38.6776 -7.74808 36.8061 TIMING: 3239600 CPU: 9404.39, 0.00290684/step Wall: 9404.39, 0.00290684/step, 1.42145 hours remaining, 208.406250 MB of memory in use. ENERGY: 3239600 744.4990 2102.9917 1946.6903 103.4804 -206149.2526 17849.4401 0.0000 0.0000 34340.0333 -149062.1179 299.9001 -183402.1512 -148963.2224 299.7560 -81.9606 -52.6546 558032.7862 7.1198 7.0315 PRESSURE: 3239800 34.7562 -39.1084 -16.1753 -39.1083 -254.755 -67.7817 -16.1761 -67.7832 1.29394 GPRESSURE: 3239800 56.6602 -88.4074 37.288 0.613403 -156.024 -61.054 5.26101 -115.83 -26.5558 PRESSAVG: 3239800 -47.8713 -48.2289 18.825 -48.2289 -5.36552 -2.12687 18.825 -2.12681 26.4491 GPRESSAVG: 3239800 -47.5237 -48.4639 20.4489 -46.9029 -4.38842 -4.91292 17.4067 -0.541571 25.2592 TIMING: 3239800 CPU: 9404.97, 0.00288083/step Wall: 9404.97, 0.00288083/step, 1.40856 hours remaining, 208.406250 MB of memory in use. ENERGY: 3239800 762.0233 2062.3599 1947.7019 118.9035 -206129.6485 17747.3632 0.0000 0.0000 34356.6154 -149134.6813 300.0449 -183491.2967 -149036.6010 299.4430 -72.9018 -41.9732 557295.6515 -8.9292 -8.8843 PRESSURE: 3240000 -273.085 168.22 68.9662 168.22 62.3226 23.3885 68.9668 23.3892 -129.742 GPRESSURE: 3240000 -278.811 155.585 48.9086 249.069 112.951 23.6833 96.1987 -36.5762 -89.21 PRESSAVG: 3240000 44.7996 -40.6047 -13.6795 -40.6047 -24.2413 -47.7729 -13.6795 -47.773 -47.3794 GPRESSAVG: 3240000 44.4725 -40.5094 -13.1438 -41.4893 -25.64 -48.0767 -13.1097 -48.635 -45.6762 TIMING: 3240000 CPU: 9405.55, 0.00289889/step Wall: 9405.55, 0.00289889/step, 1.41723 hours remaining, 208.406250 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: 3240000 720.9584 2070.8906 1959.9950 117.4186 -205739.6418 17553.2750 0.0000 0.0000 34209.4390 -149107.6652 298.7595 -183317.1042 -149017.8291 299.2947 -113.5015 -85.0234 559107.2498 -8.9404 -8.9479 PRESSURE: 3240200 10.5975 -130.749 -33.4757 -130.749 -73.3724 10.0046 -33.4764 10.0024 154.344 GPRESSURE: 3240200 76.3841 -141.117 -37.7744 -64.3037 -41.5822 -17.3286 3.9696 -34.2621 155.111 PRESSAVG: 3240200 19.1515 25.2099 23.5782 25.2098 -18.1771 -45.255 23.5781 -45.2549 14.4664 GPRESSAVG: 3240200 19.406 25.0206 21.6935 27.4071 -18.4176 -42.3625 24.9767 -45.9608 14.4162 TIMING: 3240200 CPU: 9406.12, 0.00289344/step Wall: 9406.12, 0.00289344/step, 1.41441 hours remaining, 208.406250 MB of memory in use. ENERGY: 3240200 764.6449 2046.1495 1976.7222 110.9284 -206178.2421 17784.6281 0.0000 0.0000 34468.1062 -149027.0629 301.0185 -183495.1690 -148926.1836 300.2576 30.5230 63.3043 556092.8016 5.1469 5.1349 LDB: ============= START OF LOAD BALANCING ============== 9409.59 LDB: ============== END OF LOAD BALANCING =============== 9409.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9409.59 LDB: ============= START OF LOAD BALANCING ============== 9409.89 LDB: Largest compute 4848 load 0.030549 is 25.9% of average load 0.117830 LDB: Average compute 0.001725 is 1.5% of average load 0.117830 LDB: TIME 9409.89 LOAD: AVG 0.11783 MAX 0.177732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.938 MB LDB: TIME 9409.89 LOAD: AVG 0.11783 MAX 0.177732 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 9409.89 LOAD: AVG 0.11783 MAX 0.177732 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 9409.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9409.89 PRESSURE: 3240400 -129.817 9.88439 24.2785 9.88471 -43.5488 -26.9526 24.279 -26.9524 110.001 GPRESSURE: 3240400 -155.774 -12.1883 14.5237 44.2015 33.1924 26.0098 9.39854 -77.6576 166.187 PRESSAVG: 3240400 -5.13078 -15.5457 46.1809 -15.5458 11.8738 6.06164 46.1809 6.06163 -0.277431 GPRESSAVG: 3240400 -5.31693 -14.4966 44.9502 -18.5663 12.8039 4.01186 46.1791 6.36482 -0.898442 TIMING: 3240400 CPU: 9406.72, 0.00297126/step Wall: 9406.72, 0.00297126/step, 1.45228 hours remaining, 207.171875 MB of memory in use. ENERGY: 3240400 767.3402 2089.7843 1947.6245 113.3679 -206179.9639 17813.2558 0.0000 0.0000 34306.1739 -149142.4172 299.6043 -183448.5911 -149044.4361 299.4607 -21.1215 14.5350 557193.8489 2.1552 2.1962 PRESSURE: 3240600 -59.9711 -40.921 124.631 -40.9213 -150.75 59.654 124.632 59.6546 -56.9751 GPRESSURE: 3240600 -8.1548 -59.8871 75.439 20.7364 -133.007 34.5744 140.035 101.325 -29.7871 PRESSAVG: 3240600 28.2639 -6.19122 -21.4497 -6.19118 -16.0986 27.9129 -21.4498 27.9129 -24.3363 GPRESSAVG: 3240600 28.2831 -5.68761 -22.4552 -6.40583 -16.8876 26.4773 -21.8687 28.9161 -23.66 TIMING: 3240600 CPU: 9407.3, 0.00290284/step Wall: 9407.3, 0.00290284/step, 1.41868 hours remaining, 207.375000 MB of memory in use. ENERGY: 3240600 740.5185 2034.2950 1970.7797 99.4200 -205695.4372 17431.2261 0.0000 0.0000 34366.6315 -149052.5666 300.1323 -183419.1981 -148956.6541 299.6883 -89.2321 -56.9828 555946.8449 -4.0570 -4.0881 PRESSURE: 3240800 107.818 39.0898 -3.72206 39.0897 -162.79 -48.6179 -3.72204 -48.6193 -12.876 GPRESSURE: 3240800 128.114 43.3802 -28.8016 -10.3446 -104.428 -22.5933 34.7337 -59.6549 3.76893 PRESSAVG: 3240800 -0.744659 77.5182 -0.596326 77.5183 34.1081 31.1374 -0.596339 31.1374 -26.7448 GPRESSAVG: 3240800 -0.625708 76.1665 0.241864 79.3951 34.1168 32.5571 -0.90601 30.0715 -27.1179 TIMING: 3240800 CPU: 9407.88, 0.0028875/step Wall: 9407.88, 0.0028875/step, 1.41103 hours remaining, 207.375000 MB of memory in use. ENERGY: 3240800 748.4863 2122.6117 1960.3902 104.9428 -206128.5094 17784.3280 0.0000 0.0000 34354.7144 -149053.0361 300.0283 -183407.7505 -148954.4051 299.8734 -22.6159 9.1515 556364.7219 2.2062 2.1244 PRESSURE: 3241000 87.6166 51.0166 -5.61933 51.0172 -21.7175 -76.8937 -5.61871 -76.895 -206.591 GPRESSURE: 3241000 114.248 40.9384 -65.5631 71.3435 34.9094 -68.8472 -86.3918 -46.0123 -180.288 PRESSAVG: 3241000 16.0847 28.6682 -49.2553 28.668 -8.42221 -13.8597 -49.2553 -13.8597 9.63079 GPRESSAVG: 3241000 15.5175 29.5798 -48.7154 28.4239 -8.38225 -13.5301 -48.9081 -11.9851 10.4544 TIMING: 3241000 CPU: 9408.45, 0.0028882/step Wall: 9408.45, 0.0028882/step, 1.41121 hours remaining, 207.375000 MB of memory in use. ENERGY: 3241000 740.0047 2144.0750 1941.6705 110.2086 -205682.2126 17601.2008 0.0000 0.0000 34063.5865 -149081.4666 297.4858 -183145.0531 -148992.2477 299.6821 -46.8973 -10.3770 556363.3676 5.7644 5.8632 PRESSURE: 3241200 -217.444 -112.532 60.5328 -112.533 -403.432 116.216 60.5326 116.217 -50.6617 GPRESSURE: 3241200 -148.635 -138.071 93.1566 -68.9648 -395.736 180.287 14.6681 132.747 -21.1313 PRESSAVG: 3241200 35.3596 -12.9253 -55.1819 -12.9254 4.83963 -26.7363 -55.1819 -26.7363 16.4132 GPRESSAVG: 3241200 36.0198 -13.4576 -54.9871 -13.1185 4.14829 -26.0864 -56.3865 -26.9997 16.088 TIMING: 3241200 CPU: 9409.04, 0.00291194/step Wall: 9409.04, 0.00291194/step, 1.42264 hours remaining, 207.375000 MB of memory in use. ENERGY: 3241200 774.8774 2090.7464 1964.7677 124.5054 -205892.4859 17583.7795 0.0000 0.0000 34342.0699 -149011.7396 299.9178 -183353.8094 -148907.4851 299.8876 -223.8457 -188.5009 558152.7969 18.8708 18.7520 PRESSURE: 3241400 106.599 33.9444 100.844 33.9456 -173.994 -146.984 100.844 -146.984 -155.56 GPRESSURE: 3241400 147.229 9.42945 65.8009 59.0034 -111.039 -78.474 130.93 -227.076 -159.175 PRESSAVG: 3241400 12.3515 -56.5618 57.4038 -56.5617 -43.8043 -8.21959 57.4038 -8.21967 8.04076 GPRESSAVG: 3241400 13.0321 -56.0322 58.1657 -57.29 -42.9673 -9.22036 60.8872 -9.6185 6.69393 TIMING: 3241400 CPU: 9409.62, 0.00289149/step Wall: 9409.62, 0.00289149/step, 1.41249 hours remaining, 207.511719 MB of memory in use. ENERGY: 3241400 749.0564 2095.0695 1970.4232 113.0186 -206131.6899 17812.1524 0.0000 0.0000 34281.0112 -149110.9586 299.3846 -183391.9698 -149016.5476 300.0946 -74.3186 -40.9949 559079.5920 -7.8040 -7.7471 PRESSURE: 3241600 -313.508 188.681 -100.57 188.682 -150.365 -91.1014 -100.57 -91.1005 78.6792 GPRESSURE: 3241600 -252.909 117.067 -160.619 202.237 -97.5986 -53.3226 -115.257 -107.27 56.4056 PRESSAVG: 3241600 -98.8008 40.7636 -40.5637 40.7636 -2.57675 31.1876 -40.5637 31.1875 122.764 GPRESSAVG: 3241600 -97.7094 40.0306 -41.1423 42.6543 -3.48514 32.9042 -42.6559 31.8147 122.684 TIMING: 3241600 CPU: 9410.2, 0.00292091/step Wall: 9410.2, 0.00292091/step, 1.4267 hours remaining, 207.511719 MB of memory in use. ENERGY: 3241600 753.6916 2116.1630 1956.6274 109.9863 -206179.8745 17723.1749 0.0000 0.0000 34236.2267 -149284.0047 298.9935 -183520.2314 -149187.3270 298.6869 -128.3979 -98.0341 558480.4958 7.1287 7.1630 PRESSURE: 3241800 69.4647 56.433 -195.437 56.434 -34.6932 -80.6321 -195.439 -80.6317 180.142 GPRESSURE: 3241800 63.1527 75.4495 -162.315 102.191 -9.2762 -109.72 -250.038 -54.1333 262.676 PRESSAVG: 3241800 -17.2849 37.1882 -0.648269 37.1882 -12.2574 34.2574 -0.648283 34.2574 48.9675 GPRESSAVG: 3241800 -17.8143 36.2402 -1.27542 36.2573 -10.8352 32.1487 -0.933228 34.6342 48.1535 TIMING: 3241800 CPU: 9410.78, 0.00290393/step Wall: 9410.78, 0.00290393/step, 1.41825 hours remaining, 207.511719 MB of memory in use. ENERGY: 3241800 766.0735 2092.3794 1981.9570 102.1183 -206576.9789 18125.3351 0.0000 0.0000 34342.4258 -149166.6898 299.9209 -183509.1156 -149070.6739 299.3834 71.6378 105.5175 557738.0482 6.4751 6.5013 PRESSURE: 3242000 -218.677 -168.645 -23.2548 -168.645 -28.121 88.2718 -23.2556 88.2724 -238.981 GPRESSURE: 3242000 -155.761 -240.787 -79.8475 -187.584 1.61111 43.3293 -17.7483 160.2 -228.217 PRESSAVG: 3242000 -56.147 -13.0145 -1.17369 -13.0146 3.98451 17.8317 -1.17369 17.8317 39.5218 GPRESSAVG: 3242000 -57.3368 -11.433 0.314505 -9.96972 3.28718 15.5934 -0.730291 20.2749 41.5723 TIMING: 3242000 CPU: 9411.36, 0.00290693/step Wall: 9411.36, 0.00290693/step, 1.41955 hours remaining, 207.511719 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: 3242000 773.6511 2101.0535 1960.9619 107.3236 -206025.6883 17595.3354 0.0000 0.0000 34307.1056 -149180.2572 299.6125 -183487.3628 -149086.1133 299.8779 -161.9263 -127.4558 558202.5495 -4.2136 -4.1591 PRESSURE: 3242200 -311.317 124.852 -142.412 124.853 -243.664 -64.656 -142.411 -64.6571 -204.28 GPRESSURE: 3242200 -265.307 210.111 -165.671 43.2648 -183.957 -149.942 -117.643 6.1562 -224.798 PRESSAVG: 3242200 38.6476 17.7928 -60.7484 17.7929 -28.1841 63.9622 -60.7483 63.9622 -19.0409 GPRESSAVG: 3242200 38.6648 17.0603 -61.6596 15.1785 -27.8135 66.3254 -59.3351 62.2086 -19.9299 TIMING: 3242200 CPU: 9411.94, 0.00289229/step Wall: 9411.94, 0.00289229/step, 1.41224 hours remaining, 207.511719 MB of memory in use. ENERGY: 3242200 758.0752 2120.5426 1929.5918 118.1015 -205699.1096 17496.0523 0.0000 0.0000 34197.0165 -149079.7297 298.6511 -183276.7462 -148981.5629 299.7691 -253.0868 -224.6874 558381.5531 -2.8591 -3.0262 PRESSURE: 3242400 204.43 72.6868 -74.0929 72.6868 25.923 -18.9824 -74.0923 -18.9817 -119.856 GPRESSURE: 3242400 153.742 182.507 -0.392914 -0.265665 52.0535 107.175 -64.0114 -138.672 7.21569 PRESSAVG: 3242400 5.79253 64.788 -2.74981 64.7881 2.9519 -20.4226 -2.74981 -20.4226 -5.24825 GPRESSAVG: 3242400 5.91971 64.4301 -3.01089 65.1422 4.2239 -21.132 -4.15381 -22.2486 -5.71591 TIMING: 3242400 CPU: 9412.52, 0.00290129/step Wall: 9412.52, 0.00290129/step, 1.41648 hours remaining, 207.511719 MB of memory in use. ENERGY: 3242400 744.6787 2097.4897 1923.0219 112.6077 -206120.0076 17894.3817 0.0000 0.0000 34176.1638 -149171.6642 298.4689 -183347.8280 -149074.1016 299.3653 36.8323 71.0037 557770.5240 1.1654 1.4759 PRESSURE: 3242600 -123.796 14.3417 -49.2702 14.3413 -164.302 -224.876 -49.2694 -224.877 -87.2167 GPRESSURE: 3242600 -67.9147 -13.7533 11.4762 24.3308 -149.642 -230.108 -6.59473 -224.355 -47.5735 PRESSAVG: 3242600 6.78307 -32.7271 19.0494 -32.7271 -44.7356 -27.7341 19.0492 -27.7341 66.1176 GPRESSAVG: 3242600 7.39463 -32.3872 20.1536 -34.7532 -45.9078 -27.2169 19.5432 -25.9434 66.8022 TIMING: 3242600 CPU: 9413.1, 0.00290049/step Wall: 9413.1, 0.00290049/step, 1.41592 hours remaining, 207.511719 MB of memory in use. ENERGY: 3242600 744.2349 2131.1108 1954.3882 98.5485 -206483.6204 17978.9048 0.0000 0.0000 34281.3945 -149295.0387 299.3879 -183576.4332 -149191.3875 299.5509 -125.1050 -88.3769 557764.0212 9.3883 9.4297 PRESSURE: 3242800 206.566 20.5088 111.093 20.5101 216.14 22.588 111.093 22.5896 226.637 GPRESSURE: 3242800 214.46 107.031 113.717 -4.15743 206.317 -29.3207 78.8227 -16.1096 318.545 PRESSAVG: 3242800 -42.6732 -14.7842 21.7941 -14.7842 -4.40712 -81.1127 21.7942 -81.1128 37.1074 GPRESSAVG: 3242800 -42.5407 -15.7862 22.9034 -12.7556 -4.48558 -81.9723 21.1516 -82.5156 36.974 TIMING: 3242800 CPU: 9413.68, 0.00288551/step Wall: 9413.68, 0.00288551/step, 1.40845 hours remaining, 207.582031 MB of memory in use. ENERGY: 3242800 722.2585 2156.0939 1940.7876 117.9040 -206738.7247 18265.6182 0.0000 0.0000 34112.3840 -149423.6785 297.9119 -183536.0625 -149326.3102 298.3766 216.4478 246.4406 556016.6488 -3.3243 -3.3507 PRESSURE: 3243000 -183.489 -42.7032 161.798 -42.7037 42.0874 70.6205 161.799 70.6213 -182.105 GPRESSURE: 3243000 -172.952 32.9252 58.0128 -74.966 29.7845 107.121 147.291 53.6027 -92.0083 PRESSAVG: 3243000 53.4085 -24.978 76.8011 -24.9781 -52.3038 -42.9405 76.8011 -42.9405 -0.339036 GPRESSAVG: 3243000 51.8221 -23.3482 77.8351 -25.7867 -50.7912 -41.6752 77.036 -41.0943 -0.306505 TIMING: 3243000 CPU: 9414.25, 0.00287402/step Wall: 9414.25, 0.00287402/step, 1.40268 hours remaining, 207.582031 MB of memory in use. ENERGY: 3243000 749.7826 2133.9093 1963.3386 122.4490 -206220.0556 17662.0861 0.0000 0.0000 34177.9596 -149410.5304 298.4846 -183588.4900 -149321.1082 299.0396 -107.8356 -78.3920 557472.4808 0.2552 0.2415 PRESSURE: 3243200 -206.302 39.4879 87.0648 39.4873 -229.097 48.2459 87.0649 48.2471 -206.942 GPRESSURE: 3243200 -153.61 36.6949 137.174 104.629 -172.219 85.0385 -31.2298 49.1446 -218.737 PRESSAVG: 3243200 7.51792 0.0502438 42.8977 0.0503189 -24.1978 49.3526 42.8976 49.3527 -2.66528 GPRESSAVG: 3243200 9.96688 -0.498604 41.2637 0.453176 -25.9572 49.5511 42.4689 49.4683 -3.4122 TIMING: 3243200 CPU: 9414.83, 0.00289535/step Wall: 9414.83, 0.00289535/step, 1.41293 hours remaining, 207.582031 MB of memory in use. ENERGY: 3243200 735.6084 2116.4616 1992.7304 117.1166 -206021.8934 17457.8795 0.0000 0.0000 34299.9239 -149302.1730 299.5498 -183602.0969 -149200.0738 299.4606 -214.1134 -181.5221 556097.3716 -6.4484 -6.4675 PRESSURE: 3243400 -96.6394 -22.0809 47.3107 -22.0806 172.229 -99.8029 47.3097 -99.8012 -126.892 GPRESSURE: 3243400 -58.5756 -47.6771 56.6894 0.171345 158.958 -53.1451 50.5315 -151.365 -43.6413 PRESSAVG: 3243400 54.9421 -1.8377 -8.56785 -1.83777 -38.7373 16.5293 -8.56795 16.5294 -38.1793 GPRESSAVG: 3243400 54.0326 0.610795 -8.5966 -2.42076 -37.3532 17.4036 -8.76853 14.8049 -38.5592 TIMING: 3243400 CPU: 9415.42, 0.00292106/step Wall: 9415.42, 0.00292106/step, 1.42531 hours remaining, 207.582031 MB of memory in use. ENERGY: 3243400 754.0309 2174.2063 1978.4635 105.4037 -206031.1535 17555.9947 0.0000 0.0000 34286.7886 -149176.2659 299.4351 -183463.0545 -149075.7609 299.6500 -17.1007 18.9137 556063.1580 -7.3248 -7.2933 PRESSURE: 3243600 299.119 19.8354 61.0619 19.8353 -135.14 49.9474 61.0609 49.9489 3.84923 GPRESSURE: 3243600 264.565 57.9288 71.869 -40.2111 -103.78 86.3318 143.015 38.0078 98.2942 PRESSAVG: 3243600 12.4753 -33.9008 -0.491908 -33.9008 10.3513 25.5097 -0.491956 25.5096 -28.316 GPRESSAVG: 3243600 13.2063 -35.2031 -1.69709 -33.2005 9.66136 24.2437 3.05426 26.5674 -28.2696 TIMING: 3243600 CPU: 9416, 0.00293033/step Wall: 9416, 0.00293033/step, 1.42967 hours remaining, 207.582031 MB of memory in use. ENERGY: 3243600 746.8517 2058.1263 1936.1643 121.4070 -206593.5941 17910.5116 0.0000 0.0000 34590.2217 -149230.3114 302.0850 -183820.5331 -149123.6089 299.0570 55.9427 86.3597 556289.0558 -1.8298 -1.8006 PRESSURE: 3243800 40.1782 -151.517 -127.661 -151.517 -102.125 -168.105 -127.663 -168.104 -68.8875 GPRESSURE: 3243800 72.4309 -104.527 -201.232 -146.23 -70.1146 -215.991 -111.616 -102.117 -43.7047 PRESSAVG: 3243800 48.5103 -43.9294 2.19519 -43.9294 -32.3292 10.3874 2.19515 10.3874 10.0842 GPRESSAVG: 3243800 48.9267 -41.9942 3.63529 -45.9217 -33.9437 8.96758 -0.998237 10.6112 11.3494 TIMING: 3243800 CPU: 9416.59, 0.0029177/step Wall: 9416.59, 0.0029177/step, 1.42335 hours remaining, 207.582031 MB of memory in use. ENERGY: 3243800 749.7006 2084.0905 1964.1240 120.2337 -205891.3237 17735.0028 0.0000 0.0000 33995.7343 -149242.4377 296.8932 -183238.1720 -149143.6681 298.7331 -43.6114 -13.7961 558448.8350 8.7551 8.7775 PRESSURE: 3244000 -396.441 -52.6315 123.51 -52.63 93.7432 76.7905 123.51 76.7894 -220.198 GPRESSURE: 3244000 -314.111 -25.6314 57.9974 -110.745 97.3578 95.8568 150.8 128.378 -206.232 PRESSAVG: 3244000 52.9978 -7.51122 -10.2905 -7.51114 11.5295 -6.33324 -10.2906 -6.33323 -26.0958 GPRESSAVG: 3244000 52.9288 -9.32026 -8.4339 -6.62901 12.8552 -5.80786 -12.4178 -7.25384 -27.1174 TIMING: 3244000 CPU: 9417.17, 0.00290293/step Wall: 9417.17, 0.00290293/step, 1.41599 hours remaining, 207.582031 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: 3244000 745.4471 2091.2219 1952.5640 111.7007 -205808.2334 17623.2430 0.0000 0.0000 34140.8007 -149143.2560 298.1601 -183284.0568 -149046.7162 298.5728 -174.2986 -140.9948 559922.0477 12.8105 12.8889 PRESSURE: 3244200 27.1339 -101.429 29.066 -101.431 -141.736 86.2449 29.0672 86.2444 255.179 GPRESSURE: 3244200 42.3697 -74.4502 -71.0084 -55.4795 -81.0765 119.868 108.872 14.8707 256.777 PRESSAVG: 3244200 -14.3694 -24.4367 -12.2369 -24.4367 54.3036 20.3888 -12.2369 20.3887 -9.82787 GPRESSAVG: 3244200 -15.6568 -24.4305 -15.0251 -24.5743 54.4735 21.8364 -9.82746 21.3056 -9.49878 TIMING: 3244200 CPU: 9417.75, 0.00290355/step Wall: 9417.75, 0.00290355/step, 1.41613 hours remaining, 207.582031 MB of memory in use. ENERGY: 3244200 711.7811 2147.0627 1954.9872 109.0249 -206396.1368 17951.4247 0.0000 0.0000 34354.6735 -149167.1827 300.0279 -183521.8562 -149062.7922 299.3505 46.8588 72.6902 557509.2706 10.0355 9.7726 LDB: ============= START OF LOAD BALANCING ============== 9421.21 LDB: ============== END OF LOAD BALANCING =============== 9421.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.21 LDB: ============= START OF LOAD BALANCING ============== 9421.5 LDB: Largest compute 4820 load 0.028447 is 24.1% of average load 0.117796 LDB: Average compute 0.001719 is 1.5% of average load 0.117796 LDB: TIME 9421.5 LOAD: AVG 0.117796 MAX 0.178129 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.379 MB LDB: TIME 9421.5 LOAD: AVG 0.117796 MAX 0.178129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.379 MB LDB: TIME 9421.5 LOAD: AVG 0.117796 MAX 0.178129 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.379 MB LDB: ============== END OF LOAD BALANCING =============== 9421.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.51 PRESSURE: 3244400 -276.59 123.742 234.308 123.742 33.1309 1.97555 234.308 1.9737 -384.422 GPRESSURE: 3244400 -204.732 48.0999 248.499 162.005 37.725 -34.4591 269.488 -16.5623 -389.962 PRESSAVG: 3244400 -20.7987 -14.3583 -36.5623 -14.3583 23.4311 -5.15421 -36.5624 -5.15413 6.82235 GPRESSAVG: 3244400 -19.9277 -14.0836 -36.1345 -13.4515 22.7142 -5.48971 -38.2627 -6.61408 6.4977 TIMING: 3244400 CPU: 9418.33, 0.00293235/step Wall: 9418.33, 0.00293235/step, 1.43001 hours remaining, 207.507812 MB of memory in use. ENERGY: 3244400 777.6815 2143.2921 1949.5759 111.5113 -205836.3056 17462.6999 0.0000 0.0000 34336.9292 -149054.6157 299.8729 -183391.5449 -148961.8312 300.0067 -209.2939 -185.6561 558678.4955 3.1516 3.0947 PRESSURE: 3244600 -103.456 70.7423 -93.1999 70.7426 -69.1324 -68.8187 -93.2018 -68.8186 -65.8838 GPRESSURE: 3244600 -70.6999 75.0777 -49.3364 44.5709 2.00113 -63.2453 -82.0291 -94.3911 -80.2388 PRESSAVG: 3244600 -29.1797 48.8071 -15.3526 48.8071 56.214 -27.4052 -15.3526 -27.4051 18.2209 GPRESSAVG: 3244600 -28.7017 48.2229 -15.41 50.298 57.7155 -26.4637 -13.9762 -29.552 17.0282 TIMING: 3244600 CPU: 9418.91, 0.00289563/step Wall: 9418.91, 0.00289563/step, 1.41194 hours remaining, 207.972656 MB of memory in use. ENERGY: 3244600 776.7307 2052.5878 1939.2843 114.8496 -206225.7424 17796.4572 0.0000 0.0000 34299.7043 -149246.1284 299.5478 -183545.8327 -149157.0995 299.7473 -79.4908 -49.6459 557573.5364 15.0850 15.3473 PRESSURE: 3244800 92.4189 86.5607 77.8039 86.5607 -130.741 -99.1727 77.8031 -99.1728 -78.7973 GPRESSURE: 3244800 93.1835 59.7785 61.0275 113.871 -87.2844 -185.491 24.6926 -29.3515 -17.4367 PRESSAVG: 3244800 94.5148 58.8777 -20.3356 58.8777 -46.2087 23.1775 -20.3356 23.1775 -49.1864 GPRESSAVG: 3244800 94.4115 60.2547 -19.3002 56.658 -47.7031 21.8065 -19.9141 25.7608 -47.4518 TIMING: 3244800 CPU: 9419.49, 0.00288546/step Wall: 9419.49, 0.00288546/step, 1.40682 hours remaining, 207.972656 MB of memory in use. ENERGY: 3244800 731.9469 2137.0027 1937.3037 116.5807 -206187.4929 17851.8360 0.0000 0.0000 34333.2086 -149079.6142 299.8405 -183412.8229 -148986.1996 299.4743 -39.0400 -3.8458 557329.6807 -0.2935 -0.2478 PRESSURE: 3245000 10.574 25.3928 191.237 25.393 6.69893 121.948 191.238 121.948 -271.563 GPRESSURE: 3245000 32.1608 129.472 160.422 -45.6113 20.173 122.668 195.19 19.3956 -212.872 PRESSAVG: 3245000 -39.4068 44.755 17.4732 44.7551 2.50434 3.88956 17.4734 3.88959 23.6764 GPRESSAVG: 3245000 -40.4317 45.1952 16.6195 43.3722 4.30679 3.76706 18.1015 3.89339 22.3522 TIMING: 3245000 CPU: 9420.07, 0.00289222/step Wall: 9420.07, 0.00289222/step, 1.40996 hours remaining, 207.972656 MB of memory in use. ENERGY: 3245000 792.5831 2108.7913 1927.8111 109.2413 -205908.0302 17770.5931 0.0000 0.0000 34321.3212 -148877.6891 299.7366 -183199.0102 -148776.3808 300.2667 -84.7635 -53.5126 558371.9855 -4.4087 -4.5909 PRESSURE: 3245200 -89.0312 81.7538 64.6874 81.754 151.112 7.59402 64.6867 7.59359 -112.515 GPRESSURE: 3245200 -65.3154 118.352 61.9743 66.9356 148.941 -46.9498 1.6661 11.7271 -23.7621 PRESSAVG: 3245200 -37.323 36.9305 -10.4564 36.9305 -45.3633 -42.2735 -10.4565 -42.2734 48.5425 GPRESSAVG: 3245200 -36.3482 35.8654 -8.3755 38.7709 -46.683 -42.6119 -9.52283 -42.0955 48.5394 TIMING: 3245200 CPU: 9420.65, 0.00289394/step Wall: 9420.65, 0.00289394/step, 1.41064 hours remaining, 207.972656 MB of memory in use. ENERGY: 3245200 752.0711 2161.1627 1938.1246 112.2794 -206123.6101 18001.9872 0.0000 0.0000 34193.9931 -148963.9921 298.6246 -183157.9852 -148878.9249 299.2862 -16.8115 19.9545 559140.3289 -11.3813 -11.4973 PRESSURE: 3245400 196.238 149.963 125.242 149.964 -99.4688 -142.338 125.241 -142.338 36.7212 GPRESSURE: 3245400 195.518 151.827 109.532 186.505 -69.7964 -72.6968 157.55 -186.455 102.215 PRESSAVG: 3245400 52.5205 20.8312 39.6863 20.8311 -62.2312 -7.95909 39.6863 -7.95916 33.2432 GPRESSAVG: 3245400 52.793 21.0659 39.6364 21.6154 -62.4522 -7.47747 37.7898 -8.3303 33.2679 TIMING: 3245400 CPU: 9421.22, 0.00287397/step Wall: 9421.22, 0.00287397/step, 1.40074 hours remaining, 207.972656 MB of memory in use. ENERGY: 3245400 755.7086 2120.5723 1956.1414 101.9405 -206481.0835 18156.0222 0.0000 0.0000 34422.9375 -148967.7610 300.6241 -183390.6985 -148867.6971 299.8087 44.4967 75.9786 558904.0903 7.8442 7.8696 PRESSURE: 3245600 -143.714 28.0128 -43.9371 28.0132 -321.833 92.5516 -43.9364 92.5525 20.2854 GPRESSURE: 3245600 -125.883 35.1645 -60.7789 4.47046 -253.892 97.1164 -39.3492 52.4475 27.9669 PRESSAVG: 3245600 18.0618 51.1335 18.8112 51.1335 -42.0556 27.0577 18.8112 27.0577 -17.6156 GPRESSAVG: 3245600 17.129 52.2187 16.4872 48.9315 -40.2543 27.459 19.7758 28.3008 -19.0082 TIMING: 3245600 CPU: 9421.79, 0.00285603/step Wall: 9421.79, 0.00285603/step, 1.39184 hours remaining, 207.972656 MB of memory in use. ENERGY: 3245600 757.2953 2088.6854 1939.8862 105.6864 -205787.5595 17565.5331 0.0000 0.0000 34302.4349 -149028.0382 299.5717 -183330.4732 -148927.3211 299.9814 -148.4204 -117.2693 558330.5344 -13.8698 -14.0445 PRESSURE: 3245800 -212.611 -94.5014 -47.2115 -94.5015 -98.8645 197.924 -47.2112 197.924 -115.088 GPRESSURE: 3245800 -168.724 -49.0818 -130.819 -172.682 -50.8905 276.295 -18.7651 124.12 -108.72 PRESSAVG: 3245800 -0.309896 -27.9278 -5.3117 -27.9277 8.60391 48.8759 -5.31175 48.8759 -1.96104 GPRESSAVG: 3245800 0.126906 -29.916 -4.48844 -26.2797 6.63492 47.067 -6.94472 50.3361 -0.730959 TIMING: 3245800 CPU: 9422.37, 0.00289134/step Wall: 9422.37, 0.00289134/step, 1.40889 hours remaining, 207.972656 MB of memory in use. ENERGY: 3245800 737.9120 2091.0481 1952.2964 103.8311 -206025.8080 17642.4180 0.0000 0.0000 34400.1596 -149098.1427 300.4251 -183498.3023 -149001.2279 299.7571 -142.1879 -109.4448 558250.5763 2.1110 2.0103 PRESSURE: 3246000 16.7202 -63.0894 -83.5608 -63.0906 270 144.144 -83.5609 144.142 178.691 GPRESSURE: 3246000 85.3854 2.74075 -29.507 -121.779 260.194 108.673 -105.952 203.498 206.642 PRESSAVG: 3246000 -28.8202 30.0109 -1.16882 30.011 11.7239 29.5213 -1.16882 29.5213 38.2463 GPRESSAVG: 3246000 -28.8453 31.0695 -0.298357 26.6441 12.175 30.1609 -1.17476 29.0562 37.2952 TIMING: 3246000 CPU: 9422.95, 0.00291955/step Wall: 9422.95, 0.00291955/step, 1.42247 hours remaining, 208.089844 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: 3246000 749.1132 2103.0654 1934.3977 111.4925 -206345.3038 18068.6699 0.0000 0.0000 34191.7776 -149186.7875 298.6053 -183378.5650 -149099.3601 299.8116 155.1369 184.0736 557566.2232 7.0500 6.8750 PRESSURE: 3246200 244.775 64.6868 -52.1766 64.6859 183.937 -59.4286 -52.1768 -59.4285 18.8307 GPRESSURE: 3246200 248.19 158.186 -114.329 77.2371 240.328 -79.9815 22.0813 -15.7457 55.7894 PRESSAVG: 3246200 60.5915 -41.1521 35.0232 -41.1521 -44.8642 -21.5125 35.0233 -21.5125 -10.4178 GPRESSAVG: 3246200 60.0616 -41.928 34.7013 -40.2855 -44.8948 -19.5325 35.5888 -23.5553 -9.92927 TIMING: 3246200 CPU: 9423.54, 0.00290065/step Wall: 9423.54, 0.00290065/step, 1.4131 hours remaining, 208.089844 MB of memory in use. ENERGY: 3246200 727.5963 2204.2826 1943.6212 111.9021 -206428.1462 18141.8680 0.0000 0.0000 34217.6466 -149081.2293 298.8312 -183298.8760 -148988.1702 298.9085 149.1807 181.4357 557121.7339 1.7699 1.7458 PRESSURE: 3246400 -313.662 152.83 21.2857 152.83 -57.5156 93.7075 21.2884 93.7073 -52.8463 GPRESSURE: 3246400 -221.15 119.789 -3.15706 147.94 -48.955 114.269 58.4637 83.1723 -46.6363 PRESSAVG: 3246400 67.9814 48.8015 31.8852 48.8015 14.2816 -35.1809 31.8852 -35.1809 -91.244 GPRESSAVG: 3246400 67.5852 49.6003 30.1366 49.8774 14.8981 -35.0635 32.8398 -33.7913 -91.4457 TIMING: 3246400 CPU: 9424.11, 0.00288628/step Wall: 9424.11, 0.00288628/step, 1.40594 hours remaining, 208.089844 MB of memory in use. ENERGY: 3246400 737.6385 2090.9800 1968.0867 111.4702 -205956.1426 17572.6799 0.0000 0.0000 34421.2456 -149054.0417 300.6093 -183475.2873 -148953.0739 299.6733 -141.3414 -105.5804 558688.0955 -2.9937 -2.9874 PRESSURE: 3246600 -68.3415 -135.304 12.7558 -135.304 -169.454 32.6231 12.7561 32.6236 -200.67 GPRESSURE: 3246600 -42.7327 -66.2937 71.8399 -102.112 -118.909 -6.07217 -18.473 85.0791 -168.171 PRESSAVG: 3246600 -11.7953 10.7741 -37.1134 10.774 41.8671 0.889432 -37.1134 0.889493 -40.2603 GPRESSAVG: 3246600 -11.8454 8.173 -37.9199 10.6084 42.569 -0.968705 -37.2129 2.16363 -40.8263 TIMING: 3246600 CPU: 9424.69, 0.00287295/step Wall: 9424.69, 0.00287295/step, 1.39929 hours remaining, 208.089844 MB of memory in use. ENERGY: 3246600 745.7356 2077.2301 1946.4018 112.2141 -205647.5889 17513.9045 0.0000 0.0000 34234.4934 -149017.6093 298.9783 -183252.1027 -148915.8766 299.4246 -146.1552 -109.9377 558624.0587 -3.3962 -3.3676 PRESSURE: 3246800 -36.6296 262.479 -65.8393 262.479 -155.393 86.9715 -65.8395 86.9717 236.421 GPRESSURE: 3246800 26.9927 183.788 -4.25162 311.066 -146.122 52.3593 -186.27 101.593 264.766 PRESSAVG: 3246800 8.44193 66.3343 -30.9404 66.3343 -36.9346 14.2115 -30.9403 14.2114 -20.8265 GPRESSAVG: 3246800 8.27142 66.4028 -29.6161 67.4882 -38.3821 15.2575 -33.7187 12.8711 -19.0362 TIMING: 3246800 CPU: 9425.27, 0.00289485/step Wall: 9425.27, 0.00289485/step, 1.40979 hours remaining, 208.089844 MB of memory in use. ENERGY: 3246800 745.6528 2094.9069 1940.8535 116.5328 -206337.2384 17988.6757 0.0000 0.0000 34122.6990 -149327.9178 298.0020 -183450.6168 -149225.3534 299.1037 14.7995 48.5456 558363.2119 -16.4397 -16.3823 PRESSURE: 3247000 -90.5928 180.809 -70.5137 180.808 -153.122 70.8053 -70.5135 70.8041 -381.101 GPRESSURE: 3247000 -56.7311 148.997 -71.0396 209.381 -124.365 94.1484 -120.139 13.616 -351.518 PRESSAVG: 3247000 56.3643 13.3585 -34.5789 13.3587 -34.3188 -19.0344 -34.579 -19.0345 -40.9647 GPRESSAVG: 3247000 57.23 15.1387 -34.2472 12.5742 -34.0641 -20.0031 -33.2476 -19.8989 -41.7282 TIMING: 3247000 CPU: 9425.84, 0.0028921/step Wall: 9425.84, 0.0028921/step, 1.40829 hours remaining, 208.089844 MB of memory in use. ENERGY: 3247000 800.0705 2135.5375 1948.9714 99.2842 -206218.5404 17709.4816 0.0000 0.0000 34321.0764 -149204.1190 299.7345 -183525.1953 -149114.0762 299.3276 -208.2719 -177.5380 557854.8438 -6.3064 -6.1874 PRESSURE: 3247200 1.66851 -6.28342 -61.3226 -6.28354 -6.38409 -132.542 -61.3223 -132.543 -3.44886 GPRESSURE: 3247200 47.0463 -47.6495 -86.3983 -30.7813 -9.2707 -117.324 -65.1905 -88.7635 46.3205 PRESSAVG: 3247200 -6.16832 -16.9197 -77.1115 -16.9197 -7.71766 -24.7977 -77.1116 -24.7977 44.9568 GPRESSAVG: 3247200 -6.05476 -17.629 -77.6101 -17.6826 -8.35791 -24.5205 -76.5624 -24.7038 45.3826 TIMING: 3247200 CPU: 9426.42, 0.00290296/step Wall: 9426.42, 0.00290296/step, 1.41342 hours remaining, 208.089844 MB of memory in use. ENERGY: 3247200 740.8992 2112.5116 1966.5371 98.4455 -206239.8923 17898.9773 0.0000 0.0000 34170.0415 -149252.4801 298.4155 -183422.5216 -149157.7480 299.3913 -2.7215 28.0320 557715.2135 10.3570 10.3233 PRESSURE: 3247400 -132.684 27.3881 -33.938 27.3877 201.326 11.2306 -33.9391 11.2316 -261.701 GPRESSURE: 3247400 -70.4905 73.6152 -108.862 45.5688 214.363 54.0401 -18.3346 3.5072 -237.885 PRESSAVG: 3247400 38.4907 37.1006 -11.8285 37.1005 -49.042 19.0577 -11.8285 19.0577 -17.751 GPRESSAVG: 3247400 37.9402 39.145 -14.0247 36.9286 -47.3811 17.4457 -10.8972 18.7154 -18.5764 TIMING: 3247400 CPU: 9427, 0.00287174/step Wall: 9427, 0.00287174/step, 1.39806 hours remaining, 208.089844 MB of memory in use. ENERGY: 3247400 757.8070 2165.0883 1963.8280 124.0151 -206186.9521 17803.0060 0.0000 0.0000 34191.2786 -149181.9292 298.6009 -183373.2078 -149086.0759 299.4458 -64.3527 -31.3376 558996.1378 -9.4341 -9.3391 PRESSURE: 3247600 -5.64469 66.2523 -184.861 66.2531 92.5249 -17.3953 -184.86 -17.3967 -137.797 GPRESSURE: 3247600 35.2367 -12.3727 -121.002 104.924 95.8917 9.58129 -128.08 -35.3234 -89.2718 PRESSAVG: 3247600 -71.7082 3.301 -47.2996 3.30098 8.27681 16.5154 -47.2998 16.5153 96.0259 GPRESSAVG: 3247600 -70.6216 3.88514 -44.7831 4.28964 6.19559 18.6538 -49.9616 15.6469 96.5654 TIMING: 3247600 CPU: 9427.58, 0.00288248/step Wall: 9427.58, 0.00288248/step, 1.40313 hours remaining, 208.089844 MB of memory in use. ENERGY: 3247600 802.7850 2090.3741 1959.8870 111.2175 -206218.2231 17880.5297 0.0000 0.0000 34245.3030 -149128.1267 299.0727 -183373.4297 -149031.1052 299.4787 -16.9724 13.9522 557126.0586 10.8648 10.7131 PRESSURE: 3247800 -117.545 113.547 -51.2233 113.548 17.0425 48.0264 -51.2229 48.0269 179.624 GPRESSURE: 3247800 -120.044 119.507 -59.0694 80.9417 49.8407 114.629 -153.317 -27.4368 233.154 PRESSAVG: 3247800 -22.7763 -10.0358 -57.7965 -10.0358 -10.7404 61.6241 -57.7964 61.6241 45.6922 GPRESSAVG: 3247800 -23.5108 -11.7778 -56.0045 -10.0602 -9.25458 62.7058 -56.2878 59.8618 44.545 TIMING: 3247800 CPU: 9428.16, 0.00290445/step Wall: 9428.16, 0.00290445/step, 1.41366 hours remaining, 208.089844 MB of memory in use. ENERGY: 3247800 774.4121 2141.3649 1967.0372 106.3299 -206329.7577 17844.9201 0.0000 0.0000 34323.8279 -149171.8656 299.7585 -183495.6935 -149077.9821 299.4601 26.3739 54.3170 558941.7445 4.0585 3.9265 PRESSURE: 3248000 -265.307 -113.52 8.49744 -113.521 53.2893 26.3492 8.49813 26.3482 46.915 GPRESSURE: 3248000 -203.148 -184.887 -43.3224 -54.2969 29.5193 -15.088 31.8793 19.7031 100.136 PRESSAVG: 3248000 -79.7091 -23.2282 0.505879 -23.2282 20.3367 33.4614 0.505881 33.4614 68.9873 GPRESSAVG: 3248000 -79.9669 -23.349 0.0225663 -21.6236 20.0334 33.4811 0.0367604 36.1131 69.3076 TIMING: 3248000 CPU: 9428.73, 0.00289114/step Wall: 9428.73, 0.00289114/step, 1.40702 hours remaining, 208.089844 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: 3248000 788.5857 2124.8135 1992.8578 124.1708 -206076.8102 17624.5399 0.0000 0.0000 34339.7769 -149082.0656 299.8978 -183421.8426 -148982.7674 299.2571 -55.0343 -24.4977 558375.4068 3.2050 3.1247 PRESSURE: 3248200 -110.885 113.184 33.4728 113.184 121.69 4.48983 33.4725 4.49119 13.6282 GPRESSURE: 3248200 -69.327 185.745 55.336 75.8583 98.1051 59.1755 -100.134 -87.2607 90.6936 PRESSAVG: 3248200 -9.55415 27.0493 55.1997 27.0493 -24.3349 30.2577 55.1997 30.2576 45.7214 GPRESSAVG: 3248200 -10.0017 27.009 53.0905 25.5295 -24.5338 28.8999 55.6286 28.7233 46.5719 TIMING: 3248200 CPU: 9429.32, 0.0029167/step Wall: 9429.32, 0.0029167/step, 1.4193 hours remaining, 208.089844 MB of memory in use. ENERGY: 3248200 750.8859 2118.9843 1991.2422 114.3088 -205909.2783 17765.2018 0.0000 0.0000 34218.3993 -148950.2558 298.8378 -183168.6551 -148855.6735 299.3438 8.1444 39.8239 558866.8515 3.9441 4.0122 LDB: ============= START OF LOAD BALANCING ============== 9432.78 LDB: ============== END OF LOAD BALANCING =============== 9432.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9432.79 LDB: ============= START OF LOAD BALANCING ============== 9433.08 LDB: Largest compute 4820 load 0.028271 is 24.0% of average load 0.117798 LDB: Average compute 0.001712 is 1.5% of average load 0.117798 LDB: TIME 9433.08 LOAD: AVG 0.117798 MAX 0.176912 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.805 MB LDB: TIME 9433.08 LOAD: AVG 0.117798 MAX 0.176912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: TIME 9433.08 LOAD: AVG 0.117798 MAX 0.176912 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9433.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9433.09 PRESSURE: 3248400 42.4362 127.67 172.461 127.669 296.144 39.6195 172.461 39.6203 -66.5419 GPRESSURE: 3248400 50.9352 134.854 38.3588 247.778 301.024 57.3241 306.06 3.08013 23.7985 PRESSAVG: 3248400 -19.017 -15.3676 44.4475 -15.3675 -33.1023 -6.80973 44.4474 -6.80974 4.87999 GPRESSAVG: 3248400 -18.1331 -12.4771 44.1135 -17.1495 -33.9092 -4.74676 45.9744 -7.75623 4.07804 TIMING: 3248400 CPU: 9429.91, 0.00295953/step Wall: 9429.91, 0.00295953/step, 1.43997 hours remaining, 206.351562 MB of memory in use. ENERGY: 3248400 752.9582 2125.1347 1967.0627 117.5694 -206293.9880 17934.2036 0.0000 0.0000 34370.9971 -149026.0622 300.1705 -183397.0594 -148933.5231 299.5880 90.6793 125.2526 556573.5415 -15.7464 -15.9881 PRESSURE: 3248600 -306.985 -115.063 37.2266 -115.064 -99.1695 -108.059 37.2256 -108.058 -1.35178 GPRESSURE: 3248600 -271.698 23.8978 29.657 -186.619 -72.8691 -46.3589 29.613 -42.408 39.4649 PRESSAVG: 3248600 -22.8925 17.3038 20.6752 17.3037 -10.4289 10.9832 20.6752 10.9832 38.9625 GPRESSAVG: 3248600 -23.9662 15.6275 21.2304 17.6687 -9.29329 8.48859 19.8311 16.382 39.1752 TIMING: 3248600 CPU: 9430.49, 0.00291273/step Wall: 9430.49, 0.00291273/step, 1.41704 hours remaining, 206.554688 MB of memory in use. ENERGY: 3248600 753.5856 2107.6967 1965.3989 106.5905 -205912.1944 17545.8463 0.0000 0.0000 34314.6444 -149118.4319 299.6783 -183433.0763 -149020.5654 299.8436 -135.8354 -101.7007 558852.7655 1.8804 1.9719 PRESSURE: 3248800 -58.6987 59.7743 62.6726 59.774 -242.965 168.15 62.6724 168.151 -183.008 GPRESSURE: 3248800 -26.2364 16.2534 59.5651 86.4874 -273.556 177.04 21.0549 135.256 -84.9903 PRESSAVG: 3248800 -22.1862 -32.371 5.82412 -32.371 -32.9885 -15.9199 5.82406 -15.9199 34.4083 GPRESSAVG: 3248800 -22.5341 -32.931 6.23688 -31.904 -31.8235 -16.0429 6.04119 -19.5005 33.8483 TIMING: 3248800 CPU: 9431.08, 0.00291723/step Wall: 9431.08, 0.00291723/step, 1.41907 hours remaining, 206.554688 MB of memory in use. ENERGY: 3248800 770.7906 2140.3873 1927.8137 115.0750 -205942.8057 17735.5988 0.0000 0.0000 34167.2273 -149085.9131 298.3909 -183253.1403 -148991.7789 299.3375 -161.5572 -128.2611 558798.1264 -6.9221 -6.8364 PRESSURE: 3249000 1.32988 125.366 21.6445 125.367 -55.5751 46.5867 21.6442 46.5868 15.1127 GPRESSURE: 3249000 19.609 53.7291 -9.92937 176.83 28.5152 62.3904 14.2923 64.1838 14.0687 PRESSAVG: 3249000 -11.4149 13.4263 -5.8911 13.4262 2.75574 58.8063 -5.89118 58.8062 16.042 GPRESSAVG: 3249000 -10.0223 13.9356 -5.91923 14.2069 1.04231 61.5143 -6.4648 59.3772 16.7929 TIMING: 3249000 CPU: 9431.65, 0.00288852/step Wall: 9431.65, 0.00288852/step, 1.40494 hours remaining, 206.554688 MB of memory in use. ENERGY: 3249000 739.7363 2126.0000 1919.0327 111.9960 -205901.4473 17724.6291 0.0000 0.0000 34157.9818 -149122.0713 298.3102 -183280.0531 -149028.6490 299.7864 -13.0442 20.7310 557753.9135 2.4609 2.6043 PRESSURE: 3249200 2.64829 -105.469 -107.626 -105.47 -87.0378 18.3661 -107.625 18.3665 1.06183 GPRESSURE: 3249200 44.4525 -189.034 11.2825 -72.5449 -53.7093 -14.5666 -124.753 52.8748 9.43294 PRESSAVG: 3249200 -51.1047 -13.3748 14.3365 -13.3748 21.089 12.4444 14.3365 12.4443 33.8633 GPRESSAVG: 3249200 -51.5222 -13.8824 15.4622 -13.1325 21.3101 10.4434 11.2262 12.6803 33.9539 TIMING: 3249200 CPU: 9432.23, 0.00289175/step Wall: 9432.23, 0.00289175/step, 1.40635 hours remaining, 206.554688 MB of memory in use. ENERGY: 3249200 743.8531 2153.5495 1952.8313 106.8328 -206005.3034 17678.5513 0.0000 0.0000 34225.4466 -149144.2388 298.8993 -183369.6854 -149049.9232 299.0077 -27.7759 0.0587 557282.9613 1.2825 1.2473 PRESSURE: 3249400 -99.1827 99.6741 152.569 99.675 -62.2994 30.4627 152.569 30.4648 -441.291 GPRESSURE: 3249400 -59.1905 62.0847 200.806 132.206 13.5853 48.6545 79.248 -85.6496 -458.944 PRESSAVG: 3249400 -92.0009 -3.4145 12.5555 -3.41458 30.2024 9.66676 12.5556 9.66678 19.7665 GPRESSAVG: 3249400 -92.1452 -4.16365 11.488 -3.87748 30.0918 9.96192 15.2192 10.957 19.4205 TIMING: 3249400 CPU: 9432.81, 0.0028992/step Wall: 9432.81, 0.0028992/step, 1.40981 hours remaining, 206.554688 MB of memory in use. ENERGY: 3249400 747.6284 2144.3141 1903.6840 126.5524 -205887.3327 17474.2915 0.0000 0.0000 34279.2512 -149211.6112 299.3692 -183490.8624 -149117.9916 298.9685 -200.9245 -168.1830 557939.9219 -14.0106 -14.2110 PRESSURE: 3249600 -168.775 54.9806 -113.057 54.9801 -22.5883 155.452 -113.057 155.453 -130.113 GPRESSURE: 3249600 -176.06 108.171 -41.5425 34.7673 47.5766 224.064 -245.681 149.094 -91.6685 PRESSAVG: 3249600 -48.8041 -5.6725 -22.5013 -5.67252 57.9334 -24.6185 -22.5013 -24.6184 28.098 GPRESSAVG: 3249600 -49.7776 -4.31119 -22.8156 -6.80563 58.563 -22.6977 -21.1754 -27.7525 27.8474 TIMING: 3249600 CPU: 9433.39, 0.00287903/step Wall: 9433.39, 0.00287903/step, 1.39985 hours remaining, 206.816406 MB of memory in use. ENERGY: 3249600 748.6066 2104.9635 1953.1297 111.0714 -206248.9128 17762.1041 0.0000 0.0000 34324.4274 -149244.6101 299.7638 -183569.0375 -149149.6814 299.5429 -107.1588 -73.3840 557488.1456 12.4091 12.2109 PRESSURE: 3249800 102.922 47.1081 -30.4344 47.1082 205.408 -34.7253 -30.4349 -34.7262 -56.6007 GPRESSURE: 3249800 132.357 128.899 -33.035 82.3377 185.756 109.167 -10.4077 -142.272 40.1847 PRESSAVG: 3249800 -14.925 26.6717 -44.934 26.6718 60.3149 34.6324 -44.934 34.6325 -41.6838 GPRESSAVG: 3249800 -13.4705 24.8816 -42.9776 30.1679 59.1809 33.7681 -45.4047 35.9104 -42.135 TIMING: 3249800 CPU: 9433.97, 0.00289484/step Wall: 9433.97, 0.00289484/step, 1.40737 hours remaining, 206.816406 MB of memory in use. ENERGY: 3249800 731.7768 2133.8722 1929.2932 106.6197 -206352.6721 18020.4515 0.0000 0.0000 34079.1966 -149351.4621 297.6221 -183430.6587 -149252.9802 298.7065 83.9096 119.4328 557474.1513 1.2354 1.1918 PRESSURE: 3250000 -150.049 56.17 -48.2819 56.1703 -282.123 -102.008 -48.2819 -102.01 -251.146 GPRESSURE: 3250000 -69.9459 -3.99337 48.8037 104.874 -300.105 -97.055 -100.29 -84.6855 -225.735 PRESSAVG: 3250000 -13.2774 35.1189 -23.1352 35.1188 11.1172 -10.0397 -23.1352 -10.0396 45.755 GPRESSAVG: 3250000 -13.9959 35.1544 -22.64 35.6577 11.1533 -8.80723 -23.8734 -10.0543 46.4092 TIMING: 3250000 CPU: 9434.55, 0.00289135/step Wall: 9434.55, 0.00289135/step, 1.40552 hours remaining, 206.816406 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: 3250000 772.3410 2102.1348 1960.6550 115.0937 -205909.3081 17365.3484 0.0000 0.0000 34343.3557 -149250.3795 299.9291 -183593.7352 -149148.8420 299.2500 -227.7725 -198.5951 557807.1355 14.5316 14.5222 PRESSURE: 3250200 -96.5984 158.292 132.53 158.291 -57.8733 -62.2464 132.53 -62.247 -52.9795 GPRESSURE: 3250200 -27.6921 129.518 128.154 191.644 -53.1162 -73.0875 59.5242 -18.915 -27.1219 PRESSAVG: 3250200 14.9659 6.2649 -19.3024 6.26477 -37.3646 -13.7439 -19.3022 -13.7438 40.4701 GPRESSAVG: 3250200 14.9433 6.85964 -21.1339 4.4093 -36.9164 -16.9136 -19.2741 -11.7991 40.5206 TIMING: 3250200 CPU: 9435.13, 0.00291217/step Wall: 9435.13, 0.00291217/step, 1.41548 hours remaining, 206.953125 MB of memory in use. ENERGY: 3250200 770.0039 2072.3747 1947.9193 117.9635 -206118.3709 17686.8992 0.0000 0.0000 34191.1765 -149332.0337 298.6000 -183523.2102 -149235.6713 299.2689 -69.1504 -35.9767 558633.2783 6.0238 6.1825 PRESSURE: 3250400 69.238 -79.7106 -13.3152 -79.712 -162.384 -243.373 -13.3157 -243.373 57.1848 GPRESSURE: 3250400 111.32 -134.068 55.7034 -125.202 -86.1208 -266.112 -3.54588 -171.641 29.2015 PRESSAVG: 3250400 -42.3348 47.6324 -4.14992 47.6324 37.0877 36.8222 -4.14992 36.8221 -19.3098 GPRESSAVG: 3250400 -42.4321 47.8222 -5.05027 45.3929 37.8527 37.9813 -3.45479 37.1421 -19.7498 TIMING: 3250400 CPU: 9435.7, 0.00288603/step Wall: 9435.7, 0.00288603/step, 1.40261 hours remaining, 206.953125 MB of memory in use. ENERGY: 3250400 775.6430 2110.5982 1934.4544 123.6412 -206649.1988 18082.1487 0.0000 0.0000 34371.5778 -149251.1355 300.1755 -183622.7133 -149147.0085 298.9120 -11.9870 18.1337 558690.1202 -8.1857 -8.1097 PRESSURE: 3250600 211.841 -91.6701 93.9092 -91.6695 -74.0065 -10.1693 93.9091 -10.1683 84.4607 GPRESSURE: 3250600 244.016 -56.8954 144.49 -93.2129 -49.1813 3.96137 148.628 -90.0522 128.641 PRESSAVG: 3250600 -45.463 -8.36961 -14.0926 -8.36959 -18.1329 -0.45459 -14.0926 -0.454694 59.7818 GPRESSAVG: 3250600 -44.6411 -8.45102 -14.5412 -6.60627 -18.0823 1.08478 -12.6215 -2.27661 59.1904 TIMING: 3250600 CPU: 9436.28, 0.00290005/step Wall: 9436.28, 0.00290005/step, 1.40927 hours remaining, 206.953125 MB of memory in use. ENERGY: 3250600 755.2377 2080.6591 1926.6123 109.3579 -206546.6449 17891.1803 0.0000 0.0000 34445.4440 -149338.1536 300.8206 -183783.5976 -149239.6852 299.3840 74.0985 107.8251 556610.2187 -1.2714 -1.1777 PRESSURE: 3250800 -106.996 76.2202 -79.1404 76.2197 319.756 26.6674 -79.1389 26.6655 131.411 GPRESSURE: 3250800 -89.5948 73.997 -128.749 109.444 324.615 62.8498 -24.6165 -38.5509 210.78 PRESSAVG: 3250800 -46.7114 28.8973 -14.4206 28.8973 37.3478 -19.2335 -14.4206 -19.2336 13.5477 GPRESSAVG: 3250800 -47.2723 27.7409 -13.0552 29.7364 35.7311 -20.792 -15.7438 -19.2849 15.4461 TIMING: 3250800 CPU: 9436.87, 0.00291569/step Wall: 9436.87, 0.00291569/step, 1.4167 hours remaining, 206.953125 MB of memory in use. ENERGY: 3250800 753.0253 2189.6489 1935.3286 101.5138 -206333.5079 17994.5645 0.0000 0.0000 34096.8247 -149262.6022 297.7761 -183359.4268 -149168.2972 299.0747 114.7237 148.6001 556278.3386 1.3947 1.3016 PRESSURE: 3251000 -169.232 -146.467 185.888 -146.467 131.065 -17.6317 185.888 -17.6316 -302.143 GPRESSURE: 3251000 -112.78 -96.074 213.67 -99.6779 93.1418 -64.8598 127.459 -5.27295 -235.55 PRESSAVG: 3251000 -25.8343 42.7795 -29.8801 42.7795 56.3023 3.30291 -29.88 3.30292 -45.2468 GPRESSAVG: 3251000 -26.3296 41.4053 -30.4562 44.0199 57.4399 5.51207 -30.9802 2.31186 -45.598 TIMING: 3251000 CPU: 9437.45, 0.00290524/step Wall: 9437.45, 0.00290524/step, 1.41146 hours remaining, 206.953125 MB of memory in use. ENERGY: 3251000 690.2866 2083.2557 1944.4814 118.7705 -206015.0927 17631.8368 0.0000 0.0000 34195.7696 -149350.6922 298.6402 -183546.4617 -149256.2703 298.6919 -113.4369 -85.0625 557748.6271 -4.9263 -4.8292 PRESSURE: 3251200 4.04483 12.3599 -63.3757 12.3582 27.2145 -25.4093 -63.3763 -25.4112 -106.173 GPRESSURE: 3251200 18.6143 -72.1906 -68.2418 148.903 77.546 -32.9348 6.60779 -16.5886 -71.6261 PRESSAVG: 3251200 -17.1258 10.1359 5.83508 10.136 39.4244 -8.84409 5.83506 -8.84417 -71.0484 GPRESSAVG: 3251200 -16.5883 11.6484 5.8821 8.23456 40.6075 -11.3899 7.45748 -5.96241 -72.7929 TIMING: 3251200 CPU: 9438.03, 0.00288714/step Wall: 9438.03, 0.00288714/step, 1.40251 hours remaining, 206.953125 MB of memory in use. ENERGY: 3251200 738.5596 2029.7152 1963.7045 102.8102 -206054.4287 17789.5520 0.0000 0.0000 34175.5804 -149254.5068 298.4638 -183430.0872 -149158.2610 299.3685 -24.9712 8.1780 557920.9239 -16.2499 -16.2579 PRESSURE: 3251400 272.715 -92.942 -259.768 -92.9429 54.9642 -105.689 -259.768 -105.689 -120.643 GPRESSURE: 3251400 303.311 -76.2834 -267.871 -145.413 68.7336 -159.373 -276.672 -119.354 -72.5914 PRESSAVG: 3251400 -17.5966 4.34123 -20.1908 4.34126 18.5931 29.1093 -20.1908 29.1091 -10.0841 GPRESSAVG: 3251400 -17.3205 4.42591 -20.7788 4.55068 17.5453 31.0061 -21.4976 27.8635 -9.45723 TIMING: 3251400 CPU: 9438.61, 0.0029172/step Wall: 9438.61, 0.0029172/step, 1.41695 hours remaining, 206.953125 MB of memory in use. ENERGY: 3251400 783.9106 2084.6833 1930.3894 120.0593 -206053.6877 17935.3973 0.0000 0.0000 34127.2375 -149072.0103 298.0417 -183199.2478 -148982.9842 298.9578 69.0121 99.8177 558177.6785 -3.0292 -3.0775 PRESSURE: 3251600 78.8087 36.166 28.2419 36.1653 -16.0264 -23.3597 28.2423 -23.3575 185.377 GPRESSURE: 3251600 90.3255 78.6972 -53.4264 -29.797 45.8438 -45.7537 49.0218 -7.26909 199.671 PRESSAVG: 3251600 28.7727 -19.8225 -27.0317 -19.8225 24.1404 50.9205 -27.0317 50.9205 11.3925 GPRESSAVG: 3251600 28.0809 -21.1282 -27.0987 -19.5988 25.2639 49.945 -27.5169 51.4402 10.7975 TIMING: 3251600 CPU: 9439.2, 0.00293519/step Wall: 9439.2, 0.00293519/step, 1.42552 hours remaining, 206.953125 MB of memory in use. ENERGY: 3251600 718.4917 2126.4115 1959.0509 121.5882 -206157.4872 17918.1934 0.0000 0.0000 34344.6312 -148969.1202 299.9402 -183313.7514 -148877.7322 300.0268 82.7197 111.9469 558114.9663 21.4352 21.3808 PRESSURE: 3251800 1.06133 81.4537 -161.368 81.4553 14.8299 33.0442 -161.368 33.0433 -18.9025 GPRESSURE: 3251800 52.4972 113.852 -200.328 71.4175 81.288 150.428 -184.638 82.0869 -32.1509 PRESSAVG: 3251800 -40.8176 45.5201 -28.8334 45.5201 61.7869 27.9454 -28.8334 27.9455 -9.57839 GPRESSAVG: 3251800 -40.0523 46.8504 -27.9145 45.8431 60.6928 29.2688 -29.0316 28.7409 -8.80872 TIMING: 3251800 CPU: 9439.78, 0.00291799/step Wall: 9439.78, 0.00291799/step, 1.41701 hours remaining, 206.953125 MB of memory in use. ENERGY: 3251800 750.7739 2039.9021 1942.7322 104.8067 -206143.9210 17871.6149 0.0000 0.0000 34334.9598 -149099.1314 299.8557 -183434.0912 -149002.3180 300.1365 -1.0038 33.8781 558463.6761 3.7970 3.9439 PRESSURE: 3252000 -53.9232 -138.948 -37.294 -138.95 -284.538 40.6377 -37.2939 40.6373 -111.342 GPRESSURE: 3252000 -36.4985 -62.3104 -86.3845 -119.502 -286.834 24.8754 -3.72182 74.4173 -25.7178 PRESSAVG: 3252000 -43.6422 -17.4565 12.0337 -17.4566 79.1371 43.0561 12.0337 43.0561 -42.4731 GPRESSAVG: 3252000 -44.7318 -17.2595 11.6312 -17.1519 80.2055 41.8379 12.5277 42.2517 -42.3005 TIMING: 3252000 CPU: 9440.36, 0.00289185/step Wall: 9440.36, 0.00289185/step, 1.40416 hours remaining, 206.953125 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: 3252000 726.1805 2030.1479 1950.8507 125.4316 -205921.3332 17566.7332 0.0000 0.0000 34529.6015 -148992.3878 301.5556 -183521.9893 -148891.2024 299.4804 -149.9342 -116.3500 558333.4171 -2.3261 -2.2756 PRESSURE: 3252200 -116.651 50.1426 -29.7861 50.1419 -287.578 100.404 -29.7872 100.405 -33.5488 GPRESSURE: 3252200 -79.174 106.764 4.22354 5.33005 -210.896 -0.323321 -17.1158 117.156 -43.2534 PRESSAVG: 3252200 -52.0537 -41.4597 -0.635765 -41.4596 22.6942 -0.199096 -0.635808 -0.199123 40.0747 GPRESSAVG: 3252200 -52.1037 -40.2279 0.711779 -42.3729 22.6938 1.42942 -0.403923 -1.30716 40.8397 TIMING: 3252200 CPU: 9440.94, 0.00292095/step Wall: 9440.94, 0.00292095/step, 1.41812 hours remaining, 206.953125 MB of memory in use. ENERGY: 3252200 747.3835 2040.0619 1978.1429 104.1715 -205982.3819 17708.0317 0.0000 0.0000 34342.6674 -149061.9229 299.9231 -183404.5904 -148967.4593 299.8080 -145.9260 -111.1076 558275.5386 3.5717 3.8099 LDB: ============= START OF LOAD BALANCING ============== 9444.41 LDB: ============== END OF LOAD BALANCING =============== 9444.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9444.41 LDB: ============= START OF LOAD BALANCING ============== 9444.7 LDB: Largest compute 4820 load 0.029194 is 24.8% of average load 0.117810 LDB: Average compute 0.001713 is 1.5% of average load 0.117810 LDB: TIME 9444.71 LOAD: AVG 0.11781 MAX 0.179515 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 9444.71 LOAD: AVG 0.11781 MAX 0.179515 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 9444.71 LOAD: AVG 0.11781 MAX 0.179515 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 9444.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9444.71 PRESSURE: 3252400 67.2732 110.668 99.5431 110.668 -49.2508 -99.5199 99.5435 -99.5197 138.24 GPRESSURE: 3252400 109.089 185.724 79.4911 65.3382 -19.7301 -52.5163 110.794 -66.5309 156.949 PRESSAVG: 3252400 -17.0503 11.7317 5.49614 11.7317 0.753822 -5.97698 5.49609 -5.97692 16.4666 GPRESSAVG: 3252400 -16.5384 10.1206 2.83314 13.135 1.32581 -5.82997 6.12715 -4.26032 15.3157 TIMING: 3252400 CPU: 9441.54, 0.00297551/step Wall: 9441.54, 0.00297551/step, 1.44445 hours remaining, 205.632812 MB of memory in use. ENERGY: 3252400 760.6361 2082.3618 1954.9261 113.9327 -206039.4123 17864.3158 0.0000 0.0000 34343.2599 -148919.9799 299.9282 -183263.2398 -148828.8754 299.9793 52.0873 82.1026 556828.5604 0.0567 0.0344 PRESSURE: 3252600 -209.784 31.7668 48.4265 31.7656 -97.4256 -119.273 48.4264 -119.274 -12.3964 GPRESSURE: 3252600 -151.606 -0.0219143 -42.5678 121.603 -85.8029 -91.0866 57.6435 -50.4384 11.0686 PRESSAVG: 3252600 0.255591 39.1837 34.4867 39.1837 83.448 -46.0803 34.4867 -46.0803 -94.2438 GPRESSAVG: 3252600 0.725015 36.8453 33.9409 38.8534 82.9964 -48.0212 35.0573 -48.7015 -93.9281 TIMING: 3252600 CPU: 9442.12, 0.00290225/step Wall: 9442.12, 0.00290225/step, 1.40872 hours remaining, 205.632812 MB of memory in use. ENERGY: 3252600 762.8147 2063.1235 1962.1953 105.3679 -205341.7038 17608.4996 0.0000 0.0000 34049.8690 -148789.8339 297.3660 -182839.7028 -148693.6187 300.0478 -106.5354 -75.4468 558679.9588 -3.5134 -3.4022 PRESSURE: 3252800 -113.002 -63.7325 -47.8509 -63.7318 -127.931 26.949 -47.8515 26.9495 -101.621 GPRESSURE: 3252800 -115.567 -64.9496 -51.0352 -104.293 -85.0428 4.19043 32.9948 53.7721 -46.3931 PRESSAVG: 3252800 -72.9815 35.6648 31.7079 35.6648 57.531 35.4958 31.7079 35.4957 -14.4339 GPRESSAVG: 3252800 -73.7189 35.9042 32.2236 36.4854 58.7564 34.0755 31.245 37.2194 -15.1703 TIMING: 3252800 CPU: 9442.7, 0.00290485/step Wall: 9442.7, 0.00290485/step, 1.40982 hours remaining, 205.632812 MB of memory in use. ENERGY: 3252800 677.6169 2129.0595 1952.3458 115.9431 -205642.6613 17367.2243 0.0000 0.0000 34504.7044 -148895.7673 301.3382 -183400.4717 -148796.2541 300.4489 -114.1846 -82.3342 557274.2447 -9.9614 -10.0443 PRESSURE: 3253000 -137.702 61.0679 -19.4137 61.0671 -335.835 -113.59 -19.4137 -113.59 -250.073 GPRESSURE: 3253000 -47.9368 -55.9957 -10.637 36.7046 -324.494 -167.552 -40.4195 -83.0063 -243.242 PRESSAVG: 3253000 -19.4307 5.73699 -6.53418 5.73686 22.1707 -33.3655 -6.53415 -33.3653 42.0051 GPRESSAVG: 3253000 -18.7114 8.43707 -6.17838 3.47201 20.1694 -32.817 -7.60635 -31.9721 43.5039 TIMING: 3253000 CPU: 9443.28, 0.00289414/step Wall: 9443.28, 0.00289414/step, 1.40446 hours remaining, 205.835938 MB of memory in use. ENERGY: 3253000 781.0111 2101.5017 1940.1944 119.6357 -205963.8983 17623.6062 0.0000 0.0000 34422.5893 -148975.3599 300.6210 -183397.9492 -148874.4931 300.2848 -241.2032 -205.2244 558211.4157 14.9150 14.9873 PRESSURE: 3253200 148.299 -2.54391 -65.3155 -2.54492 -198.731 -135.098 -65.3157 -135.098 -141.276 GPRESSURE: 3253200 145.353 -28.2741 -4.70205 -24.4761 -201.434 -74.707 -62.6991 -129.265 -39.8061 PRESSAVG: 3253200 8.68951 17.2177 -37.1758 17.2177 24.1771 -38.1373 -37.1757 -38.1372 -10.1387 GPRESSAVG: 3253200 9.30436 18.0792 -37.0661 18.6509 23.7477 -37.0655 -36.9162 -39.3214 -10.1457 TIMING: 3253200 CPU: 9443.86, 0.00292645/step Wall: 9443.86, 0.00292645/step, 1.41998 hours remaining, 205.835938 MB of memory in use. ENERGY: 3253200 740.5052 2051.2752 1941.3980 124.3469 -205637.8233 17533.4247 0.0000 0.0000 34345.6984 -148901.1749 299.9495 -183246.8733 -148809.3284 299.5563 -63.9026 -31.9625 556980.3758 7.5760 7.6355 PRESSURE: 3253400 -37.0359 -216.567 52.7832 -216.566 74.7698 4.6689 52.7833 4.67044 334.618 GPRESSURE: 3253400 -21.0202 -144.402 -68.6264 -187.52 124.663 -3.62103 112.592 -33.3536 360.444 PRESSAVG: 3253400 -11.4033 -47.7823 25.7482 -47.7823 7.91909 -14.0907 25.7482 -14.0907 -0.477805 GPRESSAVG: 3253400 -12.7175 -48.6924 27.8175 -48.3208 9.81252 -15.9099 24.9793 -12.6697 -0.959038 TIMING: 3253400 CPU: 9444.44, 0.00289733/step Wall: 9444.44, 0.00289733/step, 1.40569 hours remaining, 205.835938 MB of memory in use. ENERGY: 3253400 723.8839 2187.4165 1950.7498 113.3682 -205911.4228 17703.4375 0.0000 0.0000 34290.2510 -148942.3161 299.4653 -183232.5671 -148850.2796 299.3498 124.1174 154.6958 555703.6090 -1.3207 -1.2880 PRESSURE: 3253600 -66.6857 184.962 -166.466 184.963 329.58 10.3649 -166.465 10.3647 29.6006 GPRESSURE: 3253600 -53.9411 293.238 -206.381 89.1998 364.979 21.0004 -129.948 49.7692 60.9004 PRESSAVG: 3253600 -8.60304 -48.4965 -19.671 -48.4965 12.0472 -20.4193 -19.671 -20.4193 -3.71304 GPRESSAVG: 3253600 -9.07925 -48.8151 -21.7354 -47.6336 12.8852 -19.115 -18.1952 -20.0822 -3.64065 TIMING: 3253600 CPU: 9445.02, 0.00288052/step Wall: 9445.02, 0.00288052/step, 1.39737 hours remaining, 205.835938 MB of memory in use. ENERGY: 3253600 745.5795 2049.4406 1980.3905 105.9278 -206332.0376 17951.1703 0.0000 0.0000 34473.4105 -149026.1183 301.0649 -183499.5288 -148926.6488 300.6662 97.4983 123.9793 556461.5715 -0.0896 0.0551 PRESSURE: 3253800 142.475 -152.183 83.0453 -152.184 225.119 82.5058 83.0453 82.5067 342.505 GPRESSURE: 3253800 223.132 -57.0328 16.55 -153.557 213.82 156.217 84.9106 143.687 370.021 PRESSAVG: 3253800 59.3551 25.6474 5.38 25.6474 -21.1569 6.04885 5.37993 6.04884 -44.0241 GPRESSAVG: 3253800 60.6533 25.7375 5.94979 23.5637 -23.1355 6.06069 4.73622 5.76177 -43.5359 TIMING: 3253800 CPU: 9445.61, 0.00293404/step Wall: 9445.61, 0.00293404/step, 1.42317 hours remaining, 205.835938 MB of memory in use. ENERGY: 3253800 724.3447 2122.4497 1981.3011 101.8839 -206468.9311 18223.7837 0.0000 0.0000 34131.6083 -149183.5597 298.0798 -183315.1680 -149084.6476 299.6173 236.6997 268.9910 557889.6472 -1.9420 -2.0060 PRESSURE: 3254000 -130.837 186.277 -19.17 186.279 -165.273 -95.507 -19.1706 -95.5063 89.9292 GPRESSURE: 3254000 -19.5774 228.01 -44.5504 76.4795 -172.813 -130.204 -68.7138 -36.4328 78.9612 PRESSAVG: 3254000 60.9287 -26.9344 -12.6392 -26.9345 -56.843 1.29366 -12.6392 1.29363 6.09481 GPRESSAVG: 3254000 59.6704 -26.4629 -13.2716 -25.3577 -55.4317 1.06864 -12.14 1.3144 5.45503 TIMING: 3254000 CPU: 9446.19, 0.00292651/step Wall: 9446.19, 0.00292651/step, 1.41936 hours remaining, 205.835938 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: 3254000 766.6327 2102.1043 1970.9068 103.1084 -205780.6967 17602.8722 0.0000 0.0000 34060.3058 -149174.7667 297.4571 -183235.0725 -149068.3180 298.4810 -68.7270 -37.8098 558070.9042 3.3935 3.2312 PRESSURE: 3254200 -123.478 52.1113 36.0362 52.1119 -174.709 -61.4673 36.035 -61.4672 -75.4596 GPRESSURE: 3254200 -54.8256 54.4724 75.343 45.5682 -192.433 -102.976 45.0345 -182.399 -28.4496 PRESSAVG: 3254200 57.8676 51.4973 37.9679 51.4973 -93.6704 -17.7039 37.9679 -17.704 34.1229 GPRESSAVG: 3254200 58.0734 50.6332 37.9866 51.0926 -93.8796 -16.7567 37.9021 -19.848 34.1302 TIMING: 3254200 CPU: 9446.77, 0.00290891/step Wall: 9446.77, 0.00290891/step, 1.41066 hours remaining, 205.835938 MB of memory in use. ENERGY: 3254200 703.8506 2074.4353 1988.2056 118.5230 -206226.8306 17758.0936 0.0000 0.0000 34292.8743 -149290.8483 299.4882 -183583.7226 -149198.4097 298.7313 -124.5486 -91.9029 557576.8781 -0.5600 -0.5587 PRESSURE: 3254400 -0.2779 61.4254 -7.56057 61.4249 -116.972 -10.9758 -7.56194 -10.9745 -70.7764 GPRESSURE: 3254400 18.1184 62.3933 65.7863 -5.90322 -85.8331 52.0342 26.9338 -76.9551 -22.3745 PRESSAVG: 3254400 44.1155 -4.52247 24.0672 -4.52256 -55.9798 1.85534 24.0672 1.85532 47.9797 GPRESSAVG: 3254400 44.8717 -2.68854 22.7743 -6.345 -57.2822 -0.000328557 24.9936 3.73762 48.5378 TIMING: 3254400 CPU: 9447.36, 0.00291343/step Wall: 9447.36, 0.00291343/step, 1.41269 hours remaining, 205.835938 MB of memory in use. ENERGY: 3254400 750.3999 2087.7628 1961.6510 121.5091 -206473.4346 17896.0951 0.0000 0.0000 34478.7324 -149177.2842 301.1113 -183656.0166 -149079.3389 299.3562 -62.6755 -30.0297 557695.1042 12.0385 12.0425 PRESSURE: 3254600 90.1163 32.7121 119.635 32.7121 149.645 328.377 119.634 328.376 30.9907 GPRESSURE: 3254600 127.105 39.2634 138.308 -110.634 169.701 228.381 169.483 343.329 71.2035 PRESSAVG: 3254600 25.17 23.3596 32.9811 23.3595 -54.9932 5.83767 32.9811 5.83771 31.6218 GPRESSAVG: 3254600 25.8215 22.9993 36.662 22.4487 -54.8715 8.45929 31.0297 6.7941 30.7851 TIMING: 3254600 CPU: 9447.94, 0.00294595/step Wall: 9447.94, 0.00294595/step, 1.42829 hours remaining, 205.835938 MB of memory in use. ENERGY: 3254600 763.9237 2148.2954 1939.2333 115.7609 -206285.7000 18011.4780 0.0000 0.0000 34243.5847 -149063.4239 299.0577 -183307.0087 -148974.8088 299.9772 90.2506 122.6699 556676.2654 0.5996 0.5784 PRESSURE: 3254800 -146.181 17.0285 2.41995 17.0276 -49.8134 -22.3086 2.41931 -22.3075 -12.8664 GPRESSURE: 3254800 -94.1049 -2.79565 16.0412 127.022 19.373 15.0303 -27.8962 -97.9005 -34.5522 PRESSAVG: 3254800 61.5833 38.1351 -4.15789 38.1351 15.1936 37.5956 -4.1578 37.5956 -61.9643 GPRESSAVG: 3254800 60.8887 35.696 -6.58757 42.8029 15.4818 37.9797 -2.10439 34.386 -61.31 TIMING: 3254800 CPU: 9448.54, 0.00296051/step Wall: 9448.54, 0.00296051/step, 1.43519 hours remaining, 205.835938 MB of memory in use. ENERGY: 3254800 733.1963 2142.8900 1964.9386 117.5208 -206029.6787 17674.4625 0.0000 0.0000 34348.1754 -149048.4951 299.9712 -183396.6704 -148948.0383 300.0193 -69.6202 -36.4280 558027.6593 4.9376 5.0202 PRESSURE: 3255000 -165.271 -159.062 -93.5464 -159.063 -264.531 78.5646 -93.5478 78.5654 -199.707 GPRESSURE: 3255000 -112.438 -167.152 -131.309 -127.355 -215.202 37.9873 -74.0647 28.4498 -193.386 PRESSAVG: 3255000 34.6387 59.8817 -3.50665 59.8817 11.5926 29.0894 -3.50661 29.0895 -68.2958 GPRESSAVG: 3255000 34.0256 61.4134 -2.55944 57.9969 11.0808 28.5797 -5.00997 30.3204 -67.1094 TIMING: 3255000 CPU: 9449.13, 0.00294466/step Wall: 9449.13, 0.00294466/step, 1.42734 hours remaining, 205.835938 MB of memory in use. ENERGY: 3255000 758.2181 2139.8072 1958.5898 117.5926 -205687.9882 17488.7908 0.0000 0.0000 34302.9283 -148922.0613 299.5760 -183224.9897 -148827.1624 299.6551 -209.8367 -173.6753 558623.8032 -7.3548 -7.3344 PRESSURE: 3255200 -174.962 109.106 2.33595 109.106 -100.276 -166.445 2.33547 -166.445 -411.551 GPRESSURE: 3255200 -192.976 72.1024 41.737 154.072 -68.8407 -165.751 -13.2816 -216.024 -335.252 PRESSAVG: 3255200 36.79 -9.33258 -12.0133 -9.33261 22.9759 50.5125 -12.0133 50.5126 -6.50633 GPRESSAVG: 3255200 37.244 -9.24645 -11.708 -9.52912 22.4801 50.1089 -10.8382 52.6697 -6.26297 TIMING: 3255200 CPU: 9449.71, 0.00290099/step Wall: 9449.71, 0.00290099/step, 1.40601 hours remaining, 205.835938 MB of memory in use. ENERGY: 3255200 780.8863 2101.1882 1953.6054 114.4718 -205541.6361 17585.7543 0.0000 0.0000 34085.6084 -148920.1217 297.6781 -183005.7301 -148825.3177 300.7971 -228.9296 -199.0230 558508.0511 17.7532 17.8204 PRESSURE: 3255400 129.403 98.116 -23.3729 98.1152 72.5303 32.2444 -23.3731 32.2431 -240.797 GPRESSURE: 3255400 152.802 116.266 88.6143 104.826 116.165 97.8785 -118.422 -16.7324 -200.724 PRESSAVG: 3255400 2.04426 36.4898 -6.64718 36.4897 6.31784 50.9013 -6.64721 50.9011 -10.637 GPRESSAVG: 3255400 1.93728 36.9659 -6.39943 36.4475 6.27993 51.3904 -8.29085 49.1685 -10.9017 TIMING: 3255400 CPU: 9450.28, 0.00289405/step Wall: 9450.28, 0.00289405/step, 1.40249 hours remaining, 205.835938 MB of memory in use. ENERGY: 3255400 793.2320 2091.2267 1966.3753 119.7805 -206038.7309 17843.0338 0.0000 0.0000 34335.6836 -148889.3989 299.8621 -183225.0825 -148798.9787 300.4357 -12.9544 22.7474 558144.5998 -0.7583 -0.8948 PRESSURE: 3255600 -92.4027 17.4948 -33.9101 17.4961 -80.8977 112.722 -33.9115 112.721 159.717 GPRESSURE: 3255600 -64.2197 -54.1272 -78.6334 156.94 1.62283 121.286 -45.3816 145.095 154.342 PRESSAVG: 3255600 -39.5674 37.716 2.39203 37.716 19.8796 20.0128 2.39191 20.0127 40.3028 GPRESSAVG: 3255600 -40.1227 36.0395 2.00984 40.1784 21.4069 17.9477 3.13429 19.7652 39.3432 TIMING: 3255600 CPU: 9450.87, 0.00291671/step Wall: 9450.87, 0.00291671/step, 1.41331 hours remaining, 205.835938 MB of memory in use. ENERGY: 3255600 743.5504 2070.6159 1941.8036 122.4362 -206205.3996 17806.7990 0.0000 0.0000 34765.9115 -148754.2831 303.6194 -183520.1946 -148651.0102 299.8566 -4.5279 30.5816 557551.6598 6.8717 6.8758 PRESSURE: 3255800 -67.0139 101.082 168.301 101.083 107.931 135.022 168.298 135.022 -83.1157 GPRESSURE: 3255800 -41.0325 129.281 140.515 1.64621 133.497 148.298 155.51 81.5968 -24.1083 PRESSAVG: 3255800 -65.3312 -21.0742 -6.27135 -21.0742 1.08988 -13.3601 -6.27136 -13.3602 20.5464 GPRESSAVG: 3255800 -65.5374 -21.6631 -4.57872 -21.6892 0.581532 -13.5099 -8.7328 -14.3919 21.0816 TIMING: 3255800 CPU: 9451.45, 0.00291822/step Wall: 9451.45, 0.00291822/step, 1.41388 hours remaining, 205.835938 MB of memory in use. ENERGY: 3255800 761.7652 2103.4502 1964.6821 121.7969 -205950.3005 17825.5798 0.0000 0.0000 34292.4940 -148880.5323 299.4849 -183173.0264 -148784.2898 300.1715 -14.0661 22.7852 558846.9837 -14.5650 -14.6248 PRESSURE: 3256000 -137.752 -52.242 30.2627 -52.2423 9.21837 -42.0174 30.2631 -42.0174 -165.774 GPRESSURE: 3256000 -121.738 -120.349 58.5381 -23.4925 34.625 -56.8836 48.3864 5.4617 -111.887 PRESSAVG: 3256000 -5.43786 -9.58609 -13.372 -9.58612 13.0766 26.0084 -13.372 26.0084 1.26113 GPRESSAVG: 3256000 -6.18277 -8.51991 -15.4222 -10.0588 12.8001 25.7677 -9.295 28.2354 1.72708 TIMING: 3256000 CPU: 9452.03, 0.00290079/step Wall: 9452.03, 0.00290079/step, 1.40527 hours remaining, 205.835938 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: 3256000 760.0112 2116.9367 1967.6326 107.9916 -205808.4633 17630.3991 0.0000 0.0000 34442.3715 -148783.1204 300.7938 -183225.4920 -148686.1708 300.0302 -98.1023 -66.3332 558812.5310 2.9666 2.7815 PRESSURE: 3256200 150.754 -22.597 -72.5297 -22.5981 447.993 -152.308 -72.5292 -152.309 -166.837 GPRESSURE: 3256200 175.274 5.03046 -68.6505 8.51495 464.662 -131.695 -88.4989 -145.506 -127.588 PRESSAVG: 3256200 -23.3984 13.1779 -7.85806 13.1779 12.3754 30.1343 -7.85806 30.1342 -7.32956 GPRESSAVG: 3256200 -22.7526 14.4348 -8.14457 12.1204 13.2729 31.4509 -7.11275 30.2192 -8.46336 TIMING: 3256200 CPU: 9452.62, 0.00291464/step Wall: 9452.62, 0.00291464/step, 1.41182 hours remaining, 205.835938 MB of memory in use. ENERGY: 3256200 732.4898 2071.1833 1966.5215 104.0419 -206251.4264 18028.8313 0.0000 0.0000 34390.9184 -148957.4401 300.3444 -183348.3585 -148854.4512 300.6507 143.9702 170.7825 558324.1764 -6.1175 -5.9810 LDB: ============= START OF LOAD BALANCING ============== 9456.08 LDB: ============== END OF LOAD BALANCING =============== 9456.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.08 LDB: ============= START OF LOAD BALANCING ============== 9456.38 LDB: Largest compute 4820 load 0.028786 is 24.4% of average load 0.117798 LDB: Average compute 0.001721 is 1.5% of average load 0.117798 LDB: TIME 9456.38 LOAD: AVG 0.117798 MAX 0.178498 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 9456.38 LOAD: AVG 0.117798 MAX 0.178498 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 9456.38 LOAD: AVG 0.117798 MAX 0.178498 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: ============== END OF LOAD BALANCING =============== 9456.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9456.38 PRESSURE: 3256400 -150.8 -168.319 -47.8384 -168.318 -150.452 16.945 -47.838 16.9443 103.008 GPRESSURE: 3256400 -132.196 -229.708 -76.8458 -159.738 -82.8581 10.929 -9.59233 -10.969 104.592 PRESSAVG: 3256400 -15.2162 -1.64731 -46.4674 -1.64726 66.133 3.21248 -46.4674 3.21256 -9.1041 GPRESSAVG: 3256400 -15.6533 -5.04524 -45.8867 0.645381 66.1007 3.95141 -48.1757 2.61975 -9.29717 TIMING: 3256400 CPU: 9453.21, 0.002971/step Wall: 9453.21, 0.002971/step, 1.43895 hours remaining, 206.378906 MB of memory in use. ENERGY: 3256400 799.6202 2160.3471 1942.6116 97.5423 -206155.5397 17809.1644 0.0000 0.0000 34425.7385 -148920.5156 300.6485 -183346.2541 -148826.3074 300.5504 -66.0817 -36.8209 558120.5487 13.9375 13.7167 PRESSURE: 3256600 -147.877 11.484 -77.7121 11.485 -188.334 -1.45607 -77.7122 -1.45619 116.21 GPRESSURE: 3256600 -38.7435 -35.8744 -111.33 7.38642 -174.843 38.0151 -50.1991 -46.1001 94.157 PRESSAVG: 3256600 -14.7741 -17.432 -96.7355 -17.432 7.22262 -41.8717 -96.7356 -41.8716 11.101 GPRESSAVG: 3256600 -14.3076 -15.4813 -95.6211 -16.269 5.98635 -42.308 -97.3256 -41.0492 11.8284 TIMING: 3256600 CPU: 9453.79, 0.00291372/step Wall: 9453.79, 0.00291372/step, 1.41105 hours remaining, 206.582031 MB of memory in use. ENERGY: 3256600 736.3657 2104.4596 1975.1005 110.5672 -205791.5302 17517.4634 0.0000 0.0000 34515.6938 -148831.8801 301.4341 -183347.5739 -148729.2867 300.9918 -73.3338 -39.8097 556821.7888 1.1832 1.1691 PRESSURE: 3256800 51.443 213.177 4.90306 213.177 -235.078 126.319 4.90349 126.319 -264.522 GPRESSURE: 3256800 79.9751 117.033 13.2222 291.458 -229.499 108.584 51.6476 140.121 -199.993 PRESSAVG: 3256800 -37.6334 43.8566 -78.3168 43.8565 -0.0478092 46.6589 -78.3168 46.6587 -1.80539 GPRESSAVG: 3256800 -37.7049 43.5515 -79.5217 43.8048 0.269515 45.7312 -77.9759 46.2411 -2.28508 TIMING: 3256800 CPU: 9454.37, 0.00291142/step Wall: 9454.37, 0.00291142/step, 1.40977 hours remaining, 206.582031 MB of memory in use. ENERGY: 3256800 781.9890 2104.7790 1973.4197 126.3568 -205479.9720 17520.6976 0.0000 0.0000 34101.0251 -148871.7048 297.8127 -182972.7299 -148779.7710 299.8046 -149.3857 -116.5059 558979.7391 -13.1622 -13.2402 PRESSURE: 3257000 -93.4399 -44.3593 -80.5565 -44.3597 107.138 -28.455 -80.5561 -28.4556 -107.416 GPRESSURE: 3257000 -35.9918 -14.3802 -50.5208 -76.4121 152.776 -28.0354 -73.1053 -45.1292 -121.358 PRESSAVG: 3257000 2.01262 32.427 -20.5371 32.4271 26.2262 17.5626 -20.5371 17.5627 5.40791 GPRESSAVG: 3257000 2.18944 33.2754 -21.1599 29.6564 27.2075 19.673 -17.9149 15.3016 4.33001 TIMING: 3257000 CPU: 9454.96, 0.00293809/step Wall: 9454.96, 0.00293809/step, 1.42253 hours remaining, 206.582031 MB of memory in use. ENERGY: 3257000 756.2286 2097.3737 1980.4999 103.4000 -205931.5727 17608.5077 0.0000 0.0000 34545.3434 -148840.2193 301.6931 -183385.5627 -148736.6468 300.3431 -31.2393 -1.5246 557721.1385 11.2156 11.2423 PRESSURE: 3257200 -85.0399 -136.8 169.734 -136.8 77.3026 258.826 169.734 258.826 382.273 GPRESSURE: 3257200 -19.697 -186.191 1.77486 -136.133 66.538 235.768 171.995 228.477 424.914 PRESSAVG: 3257200 23.4759 -40.9082 18.2458 -40.9082 10.1793 38.719 18.2457 38.7189 -67.9575 GPRESSAVG: 3257200 23.4019 -39.1132 19.421 -41.9599 8.86623 36.2501 15.467 39.6947 -66.4699 TIMING: 3257200 CPU: 9455.54, 0.00290308/step Wall: 9455.54, 0.00290308/step, 1.40541 hours remaining, 206.582031 MB of memory in use. ENERGY: 3257200 767.8599 2130.3268 1971.8004 110.6825 -206439.6448 18059.6543 0.0000 0.0000 34469.8626 -148929.4583 301.0339 -183399.3209 -148826.9566 300.4361 124.8452 157.2517 558183.9272 -11.4341 -11.4006 PRESSURE: 3257400 206.359 28.6238 54.5466 28.6226 127.358 68.6167 54.5467 68.6176 133.199 GPRESSURE: 3257400 214.92 15.4842 101.089 160.03 140.953 94.9482 9.38797 -14.6798 215.282 PRESSAVG: 3257400 -0.434383 14.4689 28.1604 14.4689 -21.0257 9.43567 28.1604 9.43583 22.2744 GPRESSAVG: 3257400 0.503542 12.8911 28.8971 16.2032 -21.4289 10.0778 28.8219 9.44727 21.3564 TIMING: 3257400 CPU: 9456.13, 0.00291445/step Wall: 9456.13, 0.00291445/step, 1.41076 hours remaining, 206.582031 MB of memory in use. ENERGY: 3257400 748.3851 2065.4917 1994.1128 111.1487 -206520.3628 18163.0343 0.0000 0.0000 34387.4893 -149050.7010 300.3145 -183438.1903 -148957.7945 299.9398 155.6388 190.3852 557984.0614 0.2715 0.1437 PRESSURE: 3257600 235.627 -29.4923 -176.335 -29.4913 -61.4273 -36.6444 -176.333 -36.646 109.223 GPRESSURE: 3257600 247.079 7.16822 -219.503 -29.7453 -19.5084 -78.4802 -142.278 1.18809 160.659 PRESSAVG: 3257600 -13.8739 23.4869 -7.36746 23.4869 -40.5342 3.36784 -7.36748 3.36791 78.6405 GPRESSAVG: 3257600 -13.4645 23.4187 -9.36759 24.9276 -39.3798 3.33385 -5.95331 4.91415 77.698 TIMING: 3257600 CPU: 9456.7, 0.00288682/step Wall: 9456.7, 0.00288682/step, 1.39722 hours remaining, 206.582031 MB of memory in use. ENERGY: 3257600 733.2919 2083.9331 1975.1664 113.1120 -206199.6711 18037.5605 0.0000 0.0000 34214.7335 -149041.8737 298.8058 -183256.6072 -148942.4958 299.4660 94.4743 129.4098 558787.2835 8.0775 8.2845 PRESSURE: 3257800 109.704 -124.855 -319.501 -124.856 -217.757 -31.0181 -319.501 -31.018 23.8088 GPRESSURE: 3257800 151.453 -6.86713 -281.506 -141.818 -188.236 15.6513 -302.649 -89.6544 51.3639 PRESSAVG: 3257800 71.4508 -6.49232 -81.0758 -6.49225 -40.2261 -23.7526 -81.0757 -23.7527 11.9198 GPRESSAVG: 3257800 72.0579 -4.89569 -79.8614 -6.69357 -40.9493 -23.2325 -81.3533 -23.6362 12.2396 TIMING: 3257800 CPU: 9457.28, 0.00290638/step Wall: 9457.28, 0.00290638/step, 1.40652 hours remaining, 206.648438 MB of memory in use. ENERGY: 3257800 782.7585 2093.3253 1971.7633 104.4372 -206026.9880 17844.1832 0.0000 0.0000 34258.5213 -148971.9992 299.1882 -183230.5205 -148883.4099 300.0184 -28.0815 4.8603 558221.8301 14.3815 14.4494 PRESSURE: 3258000 -270.898 166.054 -46.279 166.054 -33.7898 113.914 -46.2772 113.915 -333.505 GPRESSURE: 3258000 -241.784 134.21 -141.915 142.925 21.4947 71.9 12.003 120.029 -318.709 PRESSAVG: 3258000 -26.1574 36.3067 -49.8124 36.3066 8.38603 -9.78144 -49.8124 -9.7815 29.3542 GPRESSAVG: 3258000 -27.4294 33.9596 -50.0233 35.7621 8.61538 -10.6094 -49.6434 -11.0239 30.573 TIMING: 3258000 CPU: 9457.86, 0.00290257/step Wall: 9457.86, 0.00290257/step, 1.40452 hours remaining, 206.652344 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: 3258000 766.3247 2094.4036 1945.6734 113.5983 -205740.2754 17705.9027 0.0000 0.0000 33979.3710 -149135.0018 296.7503 -183114.3727 -149040.0694 299.3970 -212.7310 -179.6660 559793.4936 3.8609 3.9197 PRESSURE: 3258200 244.517 -171.998 -81.5249 -171.998 -77.4873 60.4487 -81.5239 60.4469 92.4681 GPRESSURE: 3258200 331.089 -208.922 -65.3971 -172.218 -93.3825 26.8939 -101.041 82.7941 126.565 PRESSAVG: 3258200 -42.8417 -12.6616 -52.5137 -12.6617 31.766 -39.7764 -52.5137 -39.7764 -9.87123 GPRESSAVG: 3258200 -42.5022 -11.6999 -51.8552 -12.2471 31.7775 -39.7063 -54.4886 -39.77 -9.92209 TIMING: 3258200 CPU: 9458.45, 0.0029025/step Wall: 9458.45, 0.0029025/step, 1.40433 hours remaining, 206.652344 MB of memory in use. ENERGY: 3258200 690.4221 2033.3045 1983.4035 114.2703 -206082.3638 17794.7652 0.0000 0.0000 34201.2483 -149264.9499 298.6880 -183466.1982 -149166.1325 298.7213 86.4994 121.4236 557949.2057 -6.9823 -6.8823 PRESSURE: 3258400 110.972 -208.038 137.901 -208.036 356.421 108.089 137.902 108.089 61.9759 GPRESSURE: 3258400 199.169 -175.012 167.747 -315.766 339.561 95.9076 25.0618 155.681 83.4045 PRESSAVG: 3258400 22.7273 -12.0633 48.8623 -12.0632 -32.6078 -29.6342 48.8623 -29.6342 49.8062 GPRESSAVG: 3258400 24.0886 -12.3721 50.4447 -13.006 -33.9632 -31.1971 47.702 -28.6872 49.8486 TIMING: 3258400 CPU: 9459.02, 0.00287704/step Wall: 9459.02, 0.00287704/step, 1.39185 hours remaining, 206.652344 MB of memory in use. ENERGY: 3258400 765.0352 2049.8894 1952.4789 109.7261 -206366.7028 18156.6103 0.0000 0.0000 34089.2002 -149243.7626 297.7095 -183332.9629 -149150.8461 299.1476 176.4563 207.3782 557082.1088 13.3086 13.3247 PRESSURE: 3258600 -29.068 -35.2415 148.742 -35.2417 -120.932 25.5957 148.742 25.5946 84.369 GPRESSURE: 3258600 18.372 -35.7305 12.5895 -29.8463 -58.4182 26.5878 187.191 71.9531 78.985 PRESSAVG: 3258600 0.655869 4.65979 -38.692 4.65986 -90.6705 -10.3203 -38.6921 -10.3203 16.7787 GPRESSAVG: 3258600 -1.34578 5.50719 -39.4188 3.08617 -89.4133 -7.43181 -38.6612 -12.0502 17.2796 TIMING: 3258600 CPU: 9459.6, 0.00288652/step Wall: 9459.6, 0.00288652/step, 1.39627 hours remaining, 206.652344 MB of memory in use. ENERGY: 3258600 733.5044 2068.7779 1978.1448 107.7942 -205976.7789 17633.5918 0.0000 0.0000 34229.7361 -149225.2296 298.9368 -183454.9657 -149126.6770 299.0170 -21.8769 12.9796 555854.4391 -24.4120 -24.4932 PRESSURE: 3258800 -11.4564 90.9424 83.8906 90.9428 -97.8341 -53.9435 83.8915 -53.9448 127.916 GPRESSURE: 3258800 -59.7416 50.031 3.76211 17.1678 1.09356 32.7635 94.2352 -67.7882 154.248 PRESSAVG: 3258800 22.4158 -56.7083 66.5126 -56.7082 -11.9993 49.7855 66.5125 49.7855 22.6571 GPRESSAVG: 3258800 22.9494 -56.7925 65.0751 -54.8882 -11.5458 48.5813 67.3223 49.9343 21.9414 TIMING: 3258800 CPU: 9460.18, 0.00291543/step Wall: 9460.18, 0.00291543/step, 1.4101 hours remaining, 206.652344 MB of memory in use. ENERGY: 3258800 717.5311 2065.2085 1996.1766 115.3263 -206413.6931 17923.0267 0.0000 0.0000 34334.5135 -149261.9104 299.8518 -183596.4239 -149172.1024 298.8451 6.2084 31.8667 557027.9291 11.0246 11.1150 PRESSURE: 3259000 194.715 -99.4221 -3.50964 -99.4216 139.036 -57.7788 -3.51042 -57.7777 -80.9314 GPRESSURE: 3259000 236.348 -84.5021 -15.5161 -158.829 169.09 -149.897 -55.701 -0.230738 -50.6405 PRESSAVG: 3259000 41.3711 10.2501 3.26951 10.2501 -34.0011 0.193703 3.26954 0.193692 34.9545 GPRESSAVG: 3259000 42.5595 10.0468 4.97834 9.91368 -36.3589 0.661756 2.58417 0.845691 35.5048 TIMING: 3259000 CPU: 9460.77, 0.00292547/step Wall: 9460.77, 0.00292547/step, 1.41479 hours remaining, 206.652344 MB of memory in use. ENERGY: 3259000 737.5464 2043.3800 1945.2564 121.2051 -206293.7008 17925.7584 0.0000 0.0000 34179.8911 -149340.6633 298.5015 -183520.5544 -149247.6885 298.8858 84.2732 118.2661 557978.4339 14.1082 13.9018 PRESSURE: 3259200 -267.794 0.906783 -129.668 0.907761 -286.974 -22.4485 -129.668 -22.4501 -590.404 GPRESSURE: 3259200 -239.034 -8.42345 -81.5701 15.4887 -240.122 -35.4066 -170.578 -38.5991 -566.956 PRESSAVG: 3259200 9.08091 -25.4351 0.488438 -25.4351 40.5204 -10.8053 0.488489 -10.8054 -38.0954 GPRESSAVG: 3259200 7.99729 -24.3119 0.396611 -25.2107 42.8335 -9.2385 1.68546 -13.1712 -38.7323 TIMING: 3259200 CPU: 9461.35, 0.00290952/step Wall: 9461.35, 0.00290952/step, 1.40692 hours remaining, 206.652344 MB of memory in use. ENERGY: 3259200 752.1285 2107.7122 1972.6442 109.3678 -205899.5256 17439.4472 0.0000 0.0000 34171.0431 -149347.1825 298.4242 -183518.2257 -149250.3019 299.1540 -381.7240 -348.7041 559620.0327 3.8353 4.0328 PRESSURE: 3259400 87.871 45.8791 57.8894 45.8809 76.731 -177.493 57.8894 -177.494 87.3832 GPRESSURE: 3259400 121.803 -26.16 28.6005 104.55 103.927 -200.435 12.3741 -168.647 139.583 PRESSAVG: 3259400 4.14036 -0.799404 -10.5871 -0.799407 24.7699 -37.9373 -10.587 -37.9374 -53.6373 GPRESSAVG: 3259400 4.8712 -3.16807 -11.1855 0.916514 24.1333 -38.7478 -11.4152 -35.9182 -53.5196 TIMING: 3259400 CPU: 9461.93, 0.00289566/step Wall: 9461.93, 0.00289566/step, 1.40005 hours remaining, 206.652344 MB of memory in use. ENERGY: 3259400 757.4109 2073.6266 1988.8709 115.4580 -206624.1269 18217.8624 0.0000 0.0000 34213.8060 -149257.0921 298.7977 -183470.8981 -149168.1735 299.2022 83.9951 121.7707 557712.9310 -8.2424 -8.1717 PRESSURE: 3259600 106.397 -10.2075 51.3706 -10.2101 -71.4277 65.4178 51.3699 65.4165 -258.472 GPRESSURE: 3259600 55.154 -3.32013 28.5354 -36.6202 5.48354 82.5909 25.8684 -43.4785 -190.125 PRESSAVG: 3259600 8.00402 41.1581 20.7887 41.1581 56.196 -17.1474 20.7886 -17.1475 -81.7718 GPRESSAVG: 3259600 7.07334 41.9184 21.6741 39.7273 57.423 -17.7824 21.693 -17.111 -81.5699 TIMING: 3259600 CPU: 9462.51, 0.00289315/step Wall: 9462.51, 0.00289315/step, 1.39868 hours remaining, 206.652344 MB of memory in use. ENERGY: 3259600 705.0688 2098.8851 1954.8181 115.4012 -206129.2840 17732.8349 0.0000 0.0000 34170.4142 -149351.8617 298.4187 -183522.2758 -149256.2361 298.7484 -74.5010 -43.1624 558439.4709 -5.8572 -5.6912 PRESSURE: 3259800 -199.708 -100.683 129.379 -100.683 129.306 94.544 129.381 94.5455 -41.2147 GPRESSURE: 3259800 -170.453 -75.4687 144.668 -126.749 141.771 0.287041 139.592 166.004 7.87287 PRESSAVG: 3259800 -7.96421 2.9595 89.2259 2.95947 47.9861 58.1915 89.2259 58.1915 -40.4825 GPRESSAVG: 3259800 -7.87247 3.04965 88.3432 1.72803 46.8797 57.2199 90.6667 58.0941 -39.3717 TIMING: 3259800 CPU: 9463.09, 0.00289816/step Wall: 9463.09, 0.00289816/step, 1.40094 hours remaining, 206.652344 MB of memory in use. ENERGY: 3259800 724.0496 2075.4203 1946.0954 117.2263 -205955.8987 17693.6448 0.0000 0.0000 34092.1872 -149307.2751 297.7355 -183399.4623 -149211.6438 298.5475 -37.2055 -6.9363 557427.6211 -0.1535 -0.1215 PRESSURE: 3260000 206.129 -9.08267 -18.5797 -9.08206 160.002 25.0732 -18.5794 25.0731 170.923 GPRESSURE: 3260000 196.783 -91.9186 -47.3746 60.6509 216.627 33.1182 44.133 5.17004 207.874 PRESSAVG: 3260000 -25.9207 -33.8835 -19.287 -33.8836 24.5636 -1.66534 -19.2869 -1.66527 -17.5637 GPRESSAVG: 3260000 -25.8373 -33.9331 -18.8056 -33.8617 24.9491 -2.17921 -20.1565 -1.66652 -18.3737 TIMING: 3260000 CPU: 9463.67, 0.00290642/step Wall: 9463.67, 0.00290642/step, 1.40477 hours remaining, 206.652344 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: 3260000 711.9017 2057.5548 1952.3385 111.8245 -206335.4626 18055.8168 0.0000 0.0000 34102.4098 -149343.6165 297.8248 -183446.0264 -149252.2796 299.1649 179.0178 207.0950 556831.6763 -6.3069 -6.4207 PRESSURE: 3260200 162.313 -153.61 -16.3524 -153.609 15.0641 6.5902 -16.3536 6.58827 -43.0986 GPRESSURE: 3260200 196.051 -55.1474 -31.7915 -187.155 59.0901 49.6235 -17.2668 -33.1407 -15.4739 PRESSAVG: 3260200 31.2082 -6.51247 -20.6249 -6.51259 -39.0323 13.5874 -20.625 13.5875 -0.349522 GPRESSAVG: 3260200 31.3553 -7.66517 -19.7516 -5.15274 -38.9826 13.7763 -22.6265 12.7838 -0.0654161 TIMING: 3260200 CPU: 9464.24, 0.00288153/step Wall: 9464.24, 0.00288153/step, 1.39258 hours remaining, 206.652344 MB of memory in use. ENERGY: 3260200 733.4850 2054.3181 1969.4331 93.3668 -206576.9343 18059.2799 0.0000 0.0000 34221.3459 -149445.7055 298.8635 -183667.0513 -149344.7071 298.7733 44.7593 79.8890 556494.8170 -2.7245 -2.5643 LDB: ============= START OF LOAD BALANCING ============== 9467.71 LDB: ============== END OF LOAD BALANCING =============== 9467.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9467.71 LDB: ============= START OF LOAD BALANCING ============== 9468 LDB: Largest compute 4820 load 0.028376 is 24.1% of average load 0.117737 LDB: Average compute 0.001712 is 1.5% of average load 0.117737 LDB: TIME 9468 LOAD: AVG 0.117737 MAX 0.17804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.035 MB LDB: TIME 9468 LOAD: AVG 0.117737 MAX 0.17804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: TIME 9468 LOAD: AVG 0.117737 MAX 0.17804 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.039 MB LDB: ============== END OF LOAD BALANCING =============== 9468.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9468.01 PRESSURE: 3260400 100.81 -20.986 53.5538 -20.9858 112.745 -140.407 53.5548 -140.406 -184.209 GPRESSURE: 3260400 105.26 -2.41808 90.8921 -24.0095 144.951 -108.256 55.3778 -187.59 -125.737 PRESSAVG: 3260400 -3.98683 -19.2923 -54.522 -19.2923 18.6056 2.93825 -54.522 2.93823 -24.1524 GPRESSAVG: 3260400 -4.61812 -16.0123 -52.404 -20.8455 18.3186 4.30017 -53.4865 2.10527 -23.1169 TIMING: 3260400 CPU: 9464.84, 0.00296374/step Wall: 9464.84, 0.00296374/step, 1.43215 hours remaining, 206.144531 MB of memory in use. ENERGY: 3260400 715.3894 1990.1099 1983.6047 121.3509 -206257.7118 17795.2621 0.0000 0.0000 34157.1138 -149494.8810 298.3026 -183651.9949 -149404.7553 298.1578 9.7818 41.4914 557070.4511 -3.1779 -3.1388 PRESSURE: 3260600 -190.982 213.241 -39.0438 213.243 -285.997 -112.868 -39.0441 -112.866 268.614 GPRESSURE: 3260600 -205.228 204.873 -120.172 212.307 -220.276 -103.205 -11.9841 -142.296 310.253 PRESSAVG: 3260600 11.5615 -26.791 44.4156 -26.7909 -27.0997 -47.8801 44.4156 -47.8802 17.0653 GPRESSAVG: 3260600 12.0707 -31.0488 42.5486 -23.5458 -26.06 -48.5528 44.3567 -47.7482 15.4604 TIMING: 3260600 CPU: 9465.41, 0.00289662/step Wall: 9465.41, 0.00289662/step, 1.39955 hours remaining, 206.605469 MB of memory in use. ENERGY: 3260600 727.5271 2082.9823 1940.4148 118.4718 -206584.7612 17814.3632 0.0000 0.0000 34226.7964 -149674.2056 298.9111 -183901.0021 -149573.0261 297.8926 -69.4550 -38.4170 556643.7203 0.5090 0.4904 PRESSURE: 3260800 -7.76117 96.2159 42.6372 96.2152 -63.9567 -37.662 42.6351 -37.6609 -104.104 GPRESSURE: 3260800 10.7056 42.0801 98.2304 -0.10388 7.54039 -6.20241 57.4237 20.8263 -101.959 PRESSAVG: 3260800 35.2142 27.2909 -27.2866 27.2908 -48.7191 -31.5538 -27.2867 -31.5539 -3.78144 GPRESSAVG: 3260800 36.4437 29.0875 -28.7749 24.6836 -49.6367 -31.5213 -26.835 -28.9014 -4.60577 TIMING: 3260800 CPU: 9465.99, 0.00289568/step Wall: 9465.99, 0.00289568/step, 1.39894 hours remaining, 206.605469 MB of memory in use. ENERGY: 3260800 744.4943 2071.8237 1960.1641 116.1732 -206547.8203 17971.1516 0.0000 0.0000 33943.3154 -149740.6981 296.4354 -183684.0135 -149646.4762 297.9383 -58.6073 -27.9043 557422.1797 -5.7621 -5.9329 PRESSURE: 3261000 53.1329 -99.8317 -67.2361 -99.8295 -70.0997 35.2361 -67.2379 35.2362 -140.288 GPRESSURE: 3261000 54.293 -82.2366 -89.721 -15.3666 -23.6152 -16.476 -43.6144 116.314 -94.931 PRESSAVG: 3261000 -5.50474 24.8385 -41.4345 24.8384 26.9657 6.3808 -41.4344 6.38074 -11.7701 GPRESSAVG: 3261000 -6.47767 23.6984 -40.7543 25.1133 26.3685 6.78036 -40.708 5.45235 -10.5637 TIMING: 3261000 CPU: 9466.57, 0.00288833/step Wall: 9466.57, 0.00288833/step, 1.39522 hours remaining, 206.675781 MB of memory in use. ENERGY: 3261000 738.4637 2052.8017 1968.7254 114.3209 -206666.0553 17813.6525 0.0000 0.0000 34315.1266 -149662.9644 299.6825 -183978.0910 -149564.3145 297.7141 -52.4183 -21.4177 557792.2142 3.2303 3.1090 PRESSURE: 3261200 85.2238 2.44069 79.1145 2.44087 1.00576 -72.9718 79.1113 -72.9705 -146.794 GPRESSURE: 3261200 139.671 17.6314 82.0915 73.0902 19.3648 -83.7233 95.8857 -105.819 -115.005 PRESSAVG: 3261200 -21.2182 32.6223 -25.5615 32.6223 -33.0068 11.0764 -25.5614 11.0763 60.3099 GPRESSAVG: 3261200 -21.1268 33.7173 -24.5183 31.8284 -32.449 8.37165 -28.0919 9.48666 59.2119 TIMING: 3261200 CPU: 9467.15, 0.00289912/step Wall: 9467.15, 0.00289912/step, 1.40027 hours remaining, 206.675781 MB of memory in use. ENERGY: 3261200 718.6221 2039.5194 1969.1008 120.6537 -206143.4929 17556.1367 0.0000 0.0000 34030.6895 -149708.7708 297.1985 -183739.4603 -149616.2077 298.0672 -20.1880 14.6769 556976.0732 2.0283 1.8787 PRESSURE: 3261400 -101.306 40.0503 -145.711 40.0502 -19.6808 -65.118 -145.71 -65.1188 -67.6861 GPRESSURE: 3261400 -111.294 73.3005 -96.5829 2.17413 -12.0373 -78.0544 -166.786 -54.2487 32.4605 PRESSAVG: 3261400 -46.0667 25.3654 -63.5911 25.3654 13.0688 26.0606 -63.5911 26.0604 31.0942 GPRESSAVG: 3261400 -46.2986 24.2374 -62.3605 25.4126 12.9829 27.1815 -62.19 26.4218 31.3193 TIMING: 3261400 CPU: 9467.73, 0.00288513/step Wall: 9467.73, 0.00288513/step, 1.39336 hours remaining, 206.675781 MB of memory in use. ENERGY: 3261400 745.7111 2051.9370 1977.9912 107.1549 -206675.2611 17962.4759 0.0000 0.0000 34119.8624 -149710.1286 297.9772 -183829.9910 -149613.8981 297.6920 -62.8909 -30.2901 557681.6986 -0.6346 -0.6654 PRESSURE: 3261600 -17.5342 46.3996 113.812 46.3991 -64.8743 13.4115 113.811 13.4127 -134.695 GPRESSURE: 3261600 -5.53293 92.1606 98.9544 0.960449 -25.9001 44.6575 157.45 70.7274 -82.4971 PRESSAVG: 3261600 -21.5322 39.4765 -18.0261 39.4765 7.88425 -1.02929 -18.026 -1.02917 28.57 GPRESSAVG: 3261600 -21.0912 41.8671 -20.1744 39.4586 8.13568 -1.3682 -18.4333 -1.2776 28.1717 TIMING: 3261600 CPU: 9468.31, 0.00290066/step Wall: 9468.31, 0.00290066/step, 1.40069 hours remaining, 206.675781 MB of memory in use. ENERGY: 3261600 745.2237 2115.5120 1956.5489 113.1852 -206602.2454 17761.4544 0.0000 0.0000 34141.0723 -149769.2488 298.1625 -183910.3211 -149673.9774 297.9912 -72.3678 -37.9767 556860.4657 4.9740 5.0721 PRESSURE: 3261800 -140.416 36.6336 -60.8326 36.6324 -217.349 -46.7858 -60.8336 -46.7864 44.4864 GPRESSURE: 3261800 -124.923 30.5222 -151.967 83.6487 -169.014 -38.7878 -94.7534 -52.7514 75.6486 PRESSAVG: 3261800 12.3748 44.0404 38.1579 44.0403 0.349893 15.4353 38.1578 15.4353 -11.9752 GPRESSAVG: 3261800 12.836 42.9512 37.7016 46.7455 -0.488767 15.5671 37.4719 15.4062 -11.7322 TIMING: 3261800 CPU: 9468.89, 0.00292095/step Wall: 9468.89, 0.00292095/step, 1.41033 hours remaining, 206.675781 MB of memory in use. ENERGY: 3261800 725.5061 2035.5272 1954.0717 95.3261 -206212.1950 17678.4658 0.0000 0.0000 33964.3936 -149758.9044 296.6195 -183723.2981 -149661.6602 297.4801 -104.4262 -72.7627 558870.5721 0.2498 0.2050 PRESSURE: 3262000 221.783 44.6238 48.6184 44.6243 -324.638 112.268 48.6187 112.268 -158.418 GPRESSURE: 3262000 238.458 -32.9576 19.8608 5.70026 -295.784 53.1472 26.9791 66.4169 -108.765 PRESSAVG: 3262000 64.7992 0.565423 -4.07416 0.565371 -72.5832 -65.135 -4.07421 -65.135 7.81157 GPRESSAVG: 3262000 64.0038 -0.560779 -2.74161 -0.0778368 -71.2903 -63.8129 -4.17029 -65.0232 7.03864 TIMING: 3262000 CPU: 9469.48, 0.00292307/step Wall: 9469.48, 0.00292307/step, 1.41119 hours remaining, 206.675781 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 736.8914 2071.2411 1942.0980 112.4318 -206218.5219 17756.0185 0.0000 0.0000 34075.0011 -149524.8400 297.5855 -183599.8411 -149428.8726 298.0588 -87.0907 -55.3636 557788.7670 0.0092 -0.0826 PRESSURE: 3262200 -308.255 -34.3047 -71.4495 -34.3036 -269.319 0.244459 -71.4489 0.244286 -124.282 GPRESSURE: 3262200 -279.495 -107.498 -45.2117 33.293 -226.231 16.5876 -108.404 -52.0921 -91.694 PRESSAVG: 3262200 55.5464 -9.22634 -37.6796 -9.22631 -63.3982 -42.8862 -37.6795 -42.8862 32.194 GPRESSAVG: 3262200 55.5501 -8.80844 -37.8201 -8.44587 -64.2147 -45.8913 -37.9992 -42.3903 32.6415 TIMING: 3262200 CPU: 9470.06, 0.00289918/step Wall: 9470.06, 0.00289918/step, 1.3995 hours remaining, 206.675781 MB of memory in use. ENERGY: 3262200 767.3790 2057.6886 1968.1304 107.8396 -206246.8046 17689.3557 0.0000 0.0000 34131.9765 -149524.4347 298.0830 -183656.4113 -149429.9222 298.8318 -233.9521 -199.1402 557458.7638 8.1141 7.9923 PRESSURE: 3262400 -40.4517 37.352 45.4375 37.3524 147.828 122.398 45.4391 122.397 269.788 GPRESSURE: 3262400 -12.1438 -12.5291 -26.6 17.0339 209.151 185.655 7.5988 63.004 269.006 PRESSAVG: 3262400 29.4958 -31.2347 -36.615 -31.2348 -3.54094 -5.48895 -36.615 -5.48903 34.3505 GPRESSAVG: 3262400 29.3726 -30.0132 -37.4986 -34.5916 -4.20969 -4.78256 -32.3558 -3.16202 34.9186 TIMING: 3262400 CPU: 9470.64, 0.00289308/step Wall: 9470.64, 0.00289308/step, 1.39639 hours remaining, 206.675781 MB of memory in use. ENERGY: 3262400 744.9054 2105.2989 1972.5142 97.0492 -206834.8520 18215.1188 0.0000 0.0000 34265.1027 -149434.8628 299.2457 -183699.9655 -149340.9276 298.8792 125.7212 155.3378 556455.4660 20.1018 20.0272 PRESSURE: 3262600 12.8451 74.8871 -80.0663 74.8865 5.19004 -111.901 -80.0665 -111.902 45.4164 GPRESSURE: 3262600 82.0266 35.8517 -130.134 114.059 42.0091 -43.5363 -74.3281 -59.3586 37.2374 PRESSAVG: 3262600 -18.8405 -26.0344 -7.12905 -26.0343 -43.8227 2.46565 -7.12916 2.46567 26.199 GPRESSAVG: 3262600 -19.078 -27.6095 -8.73358 -23.9005 -42.1338 3.33615 -9.75223 0.977921 24.8961 TIMING: 3262600 CPU: 9471.22, 0.00289809/step Wall: 9471.22, 0.00289809/step, 1.39865 hours remaining, 206.675781 MB of memory in use. ENERGY: 3262600 741.9840 2083.3017 1975.6644 100.0997 -206185.1018 17820.5707 0.0000 0.0000 34103.1555 -149360.3258 297.8313 -183463.4813 -149264.4196 297.6070 21.1505 53.7577 557396.4127 -12.1547 -12.1052 PRESSURE: 3262800 -11.9574 -128.082 120.039 -128.081 219.891 -119.266 120.037 -119.265 163.73 GPRESSURE: 3262800 63.5682 -59.1338 124.729 -148.094 239.68 -104.652 179.582 -97.8935 173.16 PRESSAVG: 3262800 -0.982705 -22.1292 14.1331 -22.1292 -4.40458 -6.28024 14.133 -6.28027 -13.184 GPRESSAVG: 3262800 -1.0976 -20.1918 16.1333 -23.4579 -4.84178 -6.95292 14.4804 -6.43964 -12.7194 TIMING: 3262800 CPU: 9471.8, 0.00290769/step Wall: 9471.8, 0.00290769/step, 1.40312 hours remaining, 206.675781 MB of memory in use. ENERGY: 3262800 761.1602 2051.6064 1982.3595 117.3031 -206432.6728 18067.2328 0.0000 0.0000 34403.8802 -149049.1307 300.4576 -183453.0109 -148951.6349 299.1686 123.8880 158.8028 558016.0029 -6.1904 -6.2196 PRESSURE: 3263000 -116.108 -35.877 126.923 -35.8761 40.2462 -32.2978 126.924 -32.2982 -289.455 GPRESSURE: 3263000 -51.8442 25.6278 53.5519 -122.657 1.74186 -3.31519 147.963 -78.7085 -227.955 PRESSAVG: 3263000 -1.73016 53.2324 -16.1636 53.2324 -18.9974 -25.1426 -16.1635 -25.1426 22.2591 GPRESSAVG: 3263000 -3.36978 53.8346 -17.3856 51.8242 -17.7995 -23.7323 -16.1219 -26.342 23.0814 TIMING: 3263000 CPU: 9472.38, 0.00290882/step Wall: 9472.38, 0.00290882/step, 1.4035 hours remaining, 206.675781 MB of memory in use. ENERGY: 3263000 768.5847 2060.2269 1918.9087 105.5068 -205748.2194 17534.8835 0.0000 0.0000 34320.9225 -149039.1863 299.7332 -183360.1088 -148942.5326 299.7956 -121.7724 -92.6859 558458.4354 0.5105 0.6374 PRESSURE: 3263200 -143.964 46.5398 80.1924 46.5402 69.645 -201.709 80.1942 -201.709 206.785 GPRESSURE: 3263200 -128.034 47.7982 52.8249 -53.7017 147.001 -158.089 129.615 -227.894 203.933 PRESSAVG: 3263200 -42.8743 -3.08513 25.3755 -3.08512 8.01204 -37.541 25.3755 -37.541 39.4391 GPRESSAVG: 3263200 -40.9592 -4.83853 25.9809 -1.01393 6.44381 -37.369 25.4422 -37.8967 38.932 TIMING: 3263200 CPU: 9472.96, 0.00291679/step Wall: 9472.96, 0.00291679/step, 1.40719 hours remaining, 206.675781 MB of memory in use. ENERGY: 3263200 767.0793 2068.1142 1952.4828 115.3681 -205922.4583 17770.7697 0.0000 0.0000 34118.7266 -149129.9178 297.9673 -183248.6444 -149039.3495 299.0526 44.1556 74.3000 557960.3172 1.5256 1.4722 PRESSURE: 3263400 210.171 -28.5205 -60.4904 -28.5206 -37.164 -41.8387 -60.4893 -41.8407 90.0751 GPRESSURE: 3263400 208.659 12.4821 -71.587 -37.854 30.1847 22.9457 -125.215 -90.3837 133.196 PRESSAVG: 3263400 20.205 -24.4957 -43.8995 -24.4957 6.73667 -22.844 -43.8994 -22.8439 -15.8143 GPRESSAVG: 3263400 19.1848 -24.6246 -45.3169 -26.68 7.58309 -22.0048 -43.1591 -24.228 -15.6867 TIMING: 3263400 CPU: 9473.54, 0.0029129/step Wall: 9473.54, 0.0029129/step, 1.40515 hours remaining, 206.675781 MB of memory in use. ENERGY: 3263400 754.9593 2076.5931 1934.9801 129.0468 -205954.7282 17772.9043 0.0000 0.0000 34241.6178 -149044.6269 299.0406 -183286.2447 -148948.7761 298.9646 87.6939 124.0130 558573.5611 3.7091 3.6937 PRESSURE: 3263600 -68.4572 2.66434 68.3743 2.66479 106.27 -29.2698 68.3752 -29.2698 -54.2716 GPRESSURE: 3263600 -82.298 7.42081 61.8923 34.7588 130.463 9.70551 148.799 -6.46767 31.9061 PRESSAVG: 3263600 23.7519 -37.677 12.6706 -37.677 -31.9264 40.0146 12.6706 40.0148 19.0762 GPRESSAVG: 3263600 24.4901 -37.525 14.1899 -36.8859 -31.4766 39.5171 11.9717 40.0062 17.7202 TIMING: 3263600 CPU: 9474.13, 0.00290278/step Wall: 9474.13, 0.00290278/step, 1.40011 hours remaining, 206.675781 MB of memory in use. ENERGY: 3263600 745.5203 2154.1936 1968.6961 112.2155 -206000.1770 17728.8724 0.0000 0.0000 34246.3770 -149044.3020 299.0821 -183290.6790 -148950.4487 298.8686 -5.4862 26.6905 557796.5086 3.6339 3.5779 PRESSURE: 3263800 115.629 -9.23134 -11.435 -9.23221 -49.1163 55.1576 -11.4343 55.1569 397.758 GPRESSURE: 3263800 164.737 -31.7188 0.821205 7.32985 1.76906 88.5602 -48.3987 72.6443 385.318 PRESSAVG: 3263800 66.5098 17.2944 -15.4458 17.2944 -59.239 64.865 -15.4458 64.8649 25.3815 GPRESSAVG: 3263800 66.4549 18.0159 -13.6471 18.4218 -59.6643 64.1449 -17.9542 67.8074 25.4192 TIMING: 3263800 CPU: 9474.7, 0.00289179/step Wall: 9474.7, 0.00289179/step, 1.39465 hours remaining, 206.675781 MB of memory in use. ENERGY: 3263800 722.1326 2093.3518 1956.5080 116.5758 -206169.8485 18031.3689 0.0000 0.0000 34111.1608 -149138.7507 297.9013 -183249.9115 -149046.6669 299.1972 154.7570 183.9414 557733.7712 10.8841 10.7366 PRESSURE: 3264000 -353.229 -4.77746 36.655 -4.77707 134.035 157.495 36.6557 157.494 -291.913 GPRESSURE: 3264000 -291.6 38.0504 47.0132 5.89943 142.918 199.53 -41.5426 157.904 -267.691 PRESSAVG: 3264000 37.6288 -15.1249 8.55839 -15.125 -3.73869 -5.48108 8.55839 -5.48113 -15.4021 GPRESSAVG: 3264000 37.3677 -14.9262 7.67159 -16.1004 -4.34234 -6.96595 12.0403 -7.71296 -14.503 TIMING: 3264000 CPU: 9475.28, 0.00287473/step Wall: 9475.28, 0.00287473/step, 1.38626 hours remaining, 206.675781 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 761.9572 2074.2282 1964.1077 105.5902 -205687.0879 17489.1540 0.0000 0.0000 34211.7491 -149080.3015 298.7797 -183292.0506 -148981.5293 299.4611 -170.3691 -138.7907 557775.6647 6.1627 6.1741 PRESSURE: 3264200 -333.904 -28.0783 -76.8741 -28.0795 79.7335 38.6799 -76.8742 38.6789 31.1953 GPRESSURE: 3264200 -253.251 -34.2396 15.4967 -38.7678 45.6727 -41.6503 -141.11 14.2986 78.0242 PRESSAVG: 3264200 -3.32503 4.4796 5.75936 4.47958 -8.1814 -3.08216 5.75923 -3.08219 -31.8017 GPRESSAVG: 3264200 -3.88538 2.93871 5.42174 7.37217 -8.16148 -2.72157 4.55314 -1.55112 -31.7406 TIMING: 3264200 CPU: 9475.86, 0.00288638/step Wall: 9475.86, 0.00288638/step, 1.39172 hours remaining, 206.675781 MB of memory in use. ENERGY: 3264200 780.4659 2080.2564 1951.3223 108.9263 -205990.9030 17763.6804 0.0000 0.0000 34302.0198 -149004.2319 299.5681 -183306.2517 -148914.6367 299.7941 -74.3250 -43.1847 558743.9391 -14.4360 -14.5958 LDB: ============= START OF LOAD BALANCING ============== 9479.32 LDB: ============== END OF LOAD BALANCING =============== 9479.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9479.32 LDB: ============= START OF LOAD BALANCING ============== 9479.61 LDB: Largest compute 4848 load 0.028729 is 24.4% of average load 0.117896 LDB: Average compute 0.001720 is 1.5% of average load 0.117896 LDB: TIME 9479.62 LOAD: AVG 0.117896 MAX 0.179743 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.434 MB LDB: TIME 9479.62 LOAD: AVG 0.117896 MAX 0.179743 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 9479.62 LOAD: AVG 0.117896 MAX 0.179743 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: ============== END OF LOAD BALANCING =============== 9479.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9479.62 PRESSURE: 3264400 30.7249 -13.0786 -107.797 -13.0788 -10.5605 -75.0998 -107.798 -75.0987 -21.0641 GPRESSURE: 3264400 61.383 36.7809 -57.8178 34.8264 3.10879 49.7795 -166.193 -67.6608 32.1121 PRESSAVG: 3264400 -17.7973 62.0659 -10.6778 62.0659 3.35749 53.3356 -10.6778 53.3356 1.45985 GPRESSAVG: 3264400 -17.5005 62.9333 -10.8963 61.9563 3.24708 53.3931 -10.1551 51.0913 1.64203 TIMING: 3264400 CPU: 9476.45, 0.00296058/step Wall: 9476.45, 0.00296058/step, 1.42733 hours remaining, 207.117188 MB of memory in use. ENERGY: 3264400 744.5310 2076.8370 1989.0652 106.8645 -206050.4563 17851.9640 0.0000 0.0000 34309.0828 -148972.1118 299.6298 -183281.1946 -148878.4547 299.9282 -0.2999 32.2013 558215.8006 -4.3267 -4.2038 PRESSURE: 3264600 -41.4785 14.2953 113.204 14.2955 -339.396 -174.276 113.204 -174.275 -207.964 GPRESSURE: 3264600 -10.0741 -13.2139 96.9088 4.06498 -276.073 -226.058 76.6586 -135.405 -198.775 PRESSAVG: 3264600 -69.689 33.4711 -91.9771 33.4712 -32.518 1.6871 -91.9771 1.6872 110.665 GPRESSAVG: 3264600 -69.2483 33.5055 -93.9336 32.9477 -31.9495 3.94472 -93.3216 1.29836 110.114 TIMING: 3264600 CPU: 9477.03, 0.00289903/step Wall: 9477.03, 0.00289903/step, 1.39749 hours remaining, 207.570312 MB of memory in use. ENERGY: 3264600 762.0212 2102.7209 1944.2151 107.3377 -205644.6063 17431.8533 0.0000 0.0000 34451.7872 -148844.6708 300.8760 -183296.4581 -148754.0731 299.5985 -196.2794 -161.6408 558086.6850 2.8192 2.9722 PRESSURE: 3264800 -18.1399 -135.589 82.7265 -135.588 -4.40802 22.7993 82.7272 22.7983 -3.74954 GPRESSURE: 3264800 1.69729 -110.263 79.8388 -109.634 -2.36731 89.826 139.591 50.7123 67.5925 PRESSAVG: 3264800 12.4721 -36.7643 5.75024 -36.7642 -13.7281 -2.71768 5.75017 -2.71767 -8.7743 GPRESSAVG: 3264800 12.1441 -35.3412 6.40244 -38.51 -13.8899 -3.46295 5.5953 -2.58319 -8.19762 TIMING: 3264800 CPU: 9477.61, 0.00289142/step Wall: 9477.61, 0.00289142/step, 1.39366 hours remaining, 207.570312 MB of memory in use. ENERGY: 3264800 787.7175 2080.8173 1973.2274 102.0443 -205956.7761 17767.8189 0.0000 0.0000 34451.7730 -148793.3777 300.8759 -183245.1506 -148702.6258 300.5735 -8.7658 22.3075 557106.4489 -3.3434 -3.3145 PRESSURE: 3265000 -591.785 117.088 -18.5307 117.088 46.4451 -22.3192 -18.53 -22.3188 -146.498 GPRESSURE: 3265000 -482.02 195.25 -20.2218 75.0943 15.1359 -46.4305 -50.2672 9.96789 -122.227 PRESSAVG: 3265000 -24.8011 -44.2852 3.5165 -44.2852 -20.5063 -3.29121 3.51638 -3.29131 27.6916 GPRESSAVG: 3265000 -25.1731 -44.4029 3.69893 -45.2238 -21.2963 -1.38039 4.85501 -4.09787 29.1191 TIMING: 3265000 CPU: 9478.19, 0.00290329/step Wall: 9478.19, 0.00290329/step, 1.39923 hours remaining, 207.570312 MB of memory in use. ENERGY: 3265000 748.5179 2086.8663 1952.6144 112.9268 -204984.5155 17172.4848 0.0000 0.0000 34012.4951 -148898.6101 297.0396 -182911.1053 -148803.9259 299.9558 -230.6124 -196.3702 559050.9708 -5.8719 -5.7834 PRESSURE: 3265200 -150.205 -108.005 321.332 -108.004 197.057 18.4288 321.331 18.4276 -166.478 GPRESSURE: 3265200 -169.639 -59.2504 294.426 -95.1477 196.515 -107.186 296.431 62.085 -67.9923 PRESSAVG: 3265200 -3.00612 -46.6808 28.5437 -46.6807 68.3911 40.528 28.5437 40.528 -41.0077 GPRESSAVG: 3265200 -3.06267 -48.1098 28.563 -43.6895 68.8959 37.1613 27.2986 41.4514 -40.8406 TIMING: 3265200 CPU: 9478.77, 0.00289932/step Wall: 9478.77, 0.00289932/step, 1.39715 hours remaining, 207.570312 MB of memory in use. ENERGY: 3265200 730.5902 1994.6770 1979.2948 100.3192 -205774.8088 17585.7943 0.0000 0.0000 34482.4391 -148901.6941 301.1437 -183384.1333 -148805.2642 300.1927 -39.8752 -13.7056 557594.8361 8.1258 8.3309 PRESSURE: 3265400 190.53 -56.4765 -99.5857 -56.4756 -146.689 42.7894 -99.586 42.7901 -255.123 GPRESSURE: 3265400 233.397 -97.6046 -77.9345 -29.0848 -105.774 46.9885 -64.5602 119.52 -242.249 PRESSAVG: 3265400 -37.7684 -1.63614 47.0739 -1.63616 19.9853 -50.3868 47.0738 -50.3868 36.6365 GPRESSAVG: 3265400 -37.7527 -1.49084 47.3211 -3.92291 21.3143 -49.2521 48.4845 -51.8377 35.3889 TIMING: 3265400 CPU: 9479.35, 0.00290604/step Wall: 9479.35, 0.00290604/step, 1.40023 hours remaining, 207.773438 MB of memory in use. ENERGY: 3265400 735.3706 2103.2170 1940.7105 102.9502 -205588.7266 17571.0573 0.0000 0.0000 34324.9890 -148810.4319 299.7687 -183135.4209 -148715.9137 299.8681 -70.4275 -38.2085 557574.9423 6.2844 6.3168 PRESSURE: 3265600 -112.664 -64.0166 24.1368 -64.0161 47.0964 109.777 24.136 109.779 -1.59441 GPRESSURE: 3265600 -86.4994 4.66266 6.89878 -123.88 96.9865 128.034 -34.8155 127.581 12.4313 PRESSAVG: 3265600 91.5034 51.044 60.5523 51.0441 -23.2452 2.612 60.5522 2.61203 -44.6749 GPRESSAVG: 3265600 92.8073 51.1903 60.4055 51.1544 -25.6782 4.47068 59.2508 4.35656 -43.838 TIMING: 3265600 CPU: 9479.93, 0.00289703/step Wall: 9479.93, 0.00289703/step, 1.39573 hours remaining, 207.773438 MB of memory in use. ENERGY: 3265600 730.6331 2064.5534 1943.0812 110.9632 -205650.3547 17584.8452 0.0000 0.0000 34352.9596 -148863.3190 300.0129 -183216.2786 -148760.0945 300.3134 -22.3874 7.6395 557663.3751 7.8611 7.7637 PRESSURE: 3265800 -67.6668 -66.4424 -13.3128 -66.4411 -8.5132 -6.98002 -13.3137 -6.97939 110.22 GPRESSURE: 3265800 -41.9229 -20.2981 5.72141 -31.0765 8.74228 33.9728 -73.8999 -83.1422 157.783 PRESSAVG: 3265800 -49.3577 -28.8084 -21.8753 -28.8084 28.1608 6.20087 -21.8753 6.20095 -4.93864 GPRESSAVG: 3265800 -50.7429 -30.0824 -21.234 -27.1735 29.0922 5.43441 -20.6606 5.95266 -4.28149 TIMING: 3265800 CPU: 9480.51, 0.00289621/step Wall: 9480.51, 0.00289621/step, 1.39517 hours remaining, 207.773438 MB of memory in use. ENERGY: 3265800 717.3204 2047.3404 1941.0313 108.2470 -205482.3940 17587.7333 0.0000 0.0000 34362.7532 -148717.9684 300.0985 -183080.7216 -148615.9110 300.1162 11.3465 41.5340 559537.7895 -8.7118 -8.6441 PRESSURE: 3266000 -62.8669 66.6427 175.665 66.6423 9.44841 95.3845 175.666 95.3856 289.375 GPRESSURE: 3266000 -22.2256 -0.0257498 111.457 62.9855 18.9547 77.5319 119.128 137.84 335.206 PRESSAVG: 3266000 0.36582 -22.8549 -15.3303 -22.8548 18.1009 -5.92892 -15.3302 -5.92885 2.58712 GPRESSAVG: 3266000 -0.543299 -21.09 -14.9155 -24.9067 18.979 -4.99024 -16.6965 -6.53001 2.747 TIMING: 3266000 CPU: 9481.09, 0.0029/step Wall: 9481.09, 0.0029/step, 1.39683 hours remaining, 207.773438 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: 3266000 757.9114 2076.4810 1949.7135 118.9713 -206140.3595 17925.5967 0.0000 0.0000 34471.2876 -148840.3979 301.0463 -183311.6855 -148744.1867 300.5680 78.6523 110.6450 557556.2592 7.0179 7.0609 PRESSURE: 3266200 -50.2977 97.8933 -179.383 97.8956 -102.788 -23.0251 -179.383 -23.0238 127.938 GPRESSURE: 3266200 -20.4089 90.5271 -122.714 114.808 -84.8622 -109.199 -210.495 -18.9471 176.425 PRESSAVG: 3266200 -31.9437 5.84026 -4.7156 5.84019 8.48145 10.46 -4.71561 10.4601 14.9453 GPRESSAVG: 3266200 -30.8722 4.95722 -4.34983 5.52385 8.00446 9.58039 -5.15871 10.8682 14.4648 TIMING: 3266200 CPU: 9481.67, 0.00292196/step Wall: 9481.67, 0.00292196/step, 1.40725 hours remaining, 207.773438 MB of memory in use. ENERGY: 3266200 745.5849 2128.5014 1959.5344 108.0471 -205689.4717 17673.6044 0.0000 0.0000 34270.7028 -148803.4967 299.2946 -183074.1995 -148709.1279 300.7196 -8.3828 23.7178 558059.2885 -2.8390 -2.8010 PRESSURE: 3266400 -209.077 -78.3715 -36.8989 -78.3716 52.4496 -79.7857 -36.9 -79.7875 81.1742 GPRESSURE: 3266400 -203.166 -61.8586 -23.4846 -83.9781 95.8125 99.3857 -110.212 -132.127 124.55 PRESSAVG: 3266400 -28.6867 59.145 -54.5884 59.145 31.656 -61.809 -54.5884 -61.8091 -10.2285 GPRESSAVG: 3266400 -29.1079 59.0875 -55.9662 59.95 31.7261 -61.7612 -54.5261 -63.051 -10.4393 TIMING: 3266400 CPU: 9482.25, 0.00290733/step Wall: 9482.25, 0.00290733/step, 1.40004 hours remaining, 207.773438 MB of memory in use. ENERGY: 3266400 731.6625 2065.6294 1984.0163 109.9471 -205758.7629 17763.0608 0.0000 0.0000 34338.1511 -148766.2956 299.8836 -183104.4467 -148654.6301 300.3822 -25.1509 5.7320 559911.2670 -2.4197 -2.6070 PRESSURE: 3266600 214.415 -12.7791 7.53476 -12.7789 116.631 101.77 7.53293 101.772 146.972 GPRESSURE: 3266600 249.827 -53.0644 -9.66943 -30.9697 158.849 49.4225 77.339 65.7021 173.371 PRESSAVG: 3266600 -73.2746 44.1362 63.3796 44.1362 40.1716 0.751391 63.3796 0.751349 11.0652 GPRESSAVG: 3266600 -72.9259 45.3182 64.823 44.3805 40.179 -0.805009 63.201 1.76379 10.7026 TIMING: 3266600 CPU: 9482.84, 0.00292275/step Wall: 9482.84, 0.00292275/step, 1.4073 hours remaining, 207.773438 MB of memory in use. ENERGY: 3266600 733.0251 2102.0524 1973.1537 112.9483 -206018.5461 17905.8051 0.0000 0.0000 34441.4779 -148750.0835 300.7860 -183191.5614 -148656.1863 300.5104 159.3394 194.0158 558332.3115 -7.3459 -7.3481 PRESSURE: 3266800 199.75 87.5568 99.1906 87.5582 -43.6485 143.458 99.1923 143.459 -124.9 GPRESSURE: 3266800 187.586 91.2272 125.237 79.6579 -0.670142 87.5853 35.826 152.351 -70.0385 PRESSAVG: 3266800 40.8784 -6.88455 40.6881 -6.88446 40.7071 -6.48416 40.6881 -6.48422 -88.4648 GPRESSAVG: 3266800 40.9918 -8.2177 41.6191 -5.86242 40.5093 -5.01701 40.3478 -4.93447 -88.9172 TIMING: 3266800 CPU: 9483.42, 0.00291237/step Wall: 9483.42, 0.00291237/step, 1.40214 hours remaining, 207.773438 MB of memory in use. ENERGY: 3266800 746.7155 2126.4403 1968.9539 104.1827 -205509.4654 17638.3967 0.0000 0.0000 34288.7310 -148636.0454 299.4520 -182924.7764 -148537.0488 300.2506 10.4005 38.9589 558268.3439 -2.2931 -2.4720 PRESSURE: 3267000 -18.2904 1.24074 90.9131 1.24146 -41.3463 29.1819 90.9133 29.1833 -83.7439 GPRESSURE: 3267000 -55.9182 -43.1526 111.065 -29.0301 57.9716 84.1377 110.274 98.5789 -53.3277 PRESSAVG: 3267000 -78.3894 -53.1665 17.6954 -53.1666 46.6003 25.1672 17.6955 25.1671 58.385 GPRESSAVG: 3267000 -78.9992 -52.0314 17.5443 -54.2442 47.1485 24.8765 17.388 22.9923 58.448 TIMING: 3267000 CPU: 9484.01, 0.00293786/step Wall: 9484.01, 0.00293786/step, 1.41426 hours remaining, 207.773438 MB of memory in use. ENERGY: 3267000 748.5233 2039.7439 1961.0316 114.6490 -205339.5157 17474.3973 0.0000 0.0000 34438.3323 -148562.8383 300.7585 -183001.1706 -148464.1440 300.5917 -47.7935 -17.0914 558264.9435 8.8653 8.8657 PRESSURE: 3267200 -188.293 127.976 -35.1737 127.977 -133.368 -34.3851 -35.1745 -34.3847 -236.499 GPRESSURE: 3267200 -153.424 140.231 -41.6368 22.9318 -109.896 -34.7615 -79.0461 -64.2199 -205.862 PRESSAVG: 3267200 -26.1232 1.14923 -1.5347 1.14918 4.22094 -26.6013 -1.5348 -26.6013 5.1577 GPRESSAVG: 3267200 -25.9908 0.155898 -1.69318 1.67107 2.97206 -27.4627 0.0712944 -25.9131 6.03097 TIMING: 3267200 CPU: 9484.59, 0.00290431/step Wall: 9484.59, 0.00290431/step, 1.39794 hours remaining, 207.773438 MB of memory in use. ENERGY: 3267200 745.2549 2138.7803 1956.5184 109.6522 -205695.8137 17644.8202 0.0000 0.0000 34500.1539 -148600.6339 301.2984 -183100.7877 -148503.7342 300.6769 -186.0533 -156.3941 558751.2687 -5.5815 -5.6626 PRESSURE: 3267400 -219.67 40.5995 -6.18052 40.6011 15.3243 67.8349 -6.17986 67.8345 26.9993 GPRESSURE: 3267400 -184.071 -1.82022 -116.142 47.0547 17.8832 -41.2907 3.50977 114.827 75.6111 PRESSAVG: 3267400 -31.4053 -28.3092 -15.6467 -28.3092 8.24609 11.9032 -15.6467 11.9032 38.9502 GPRESSAVG: 3267400 -31.6391 -29.3859 -16.221 -28.4371 7.27946 10.4443 -16.3018 13.1145 40.366 TIMING: 3267400 CPU: 9485.17, 0.00292177/step Wall: 9485.17, 0.00292177/step, 1.40618 hours remaining, 207.773438 MB of memory in use. ENERGY: 3267400 782.7233 2114.3547 1980.3197 108.9290 -205838.3024 17851.5044 0.0000 0.0000 34365.9599 -148634.5114 300.1265 -183000.4713 -148533.9062 300.9921 -59.1156 -30.1922 560506.4088 5.2637 5.3355 PRESSURE: 3267600 10.1781 -15.317 -18.8075 -15.3167 -270.45 9.07972 -18.8065 9.08109 3.13616 GPRESSURE: 3267600 2.89542 -66.4707 23.9005 85.113 -255.595 -45.9573 -93.1347 59.7772 79.1293 PRESSAVG: 3267600 -15.4191 22.5047 0.912992 22.5047 -55.5964 -23.7941 0.913051 -23.7941 39.181 GPRESSAVG: 3267600 -15.7416 24.7501 3.21144 21.6617 -53.4632 -22.492 0.875908 -22.8148 36.9982 TIMING: 3267600 CPU: 9485.75, 0.0029017/step Wall: 9485.75, 0.0029017/step, 1.39636 hours remaining, 207.773438 MB of memory in use. ENERGY: 3267600 788.0356 2128.1658 1967.9045 94.4584 -205905.0142 17885.5036 0.0000 0.0000 34490.4403 -148550.5059 301.2136 -183040.9462 -148450.0673 301.5085 -85.7121 -57.8569 560866.3851 -10.6115 -10.7355 PRESSURE: 3267800 -243.531 -11.2715 -3.56255 -11.2711 -19.1635 -9.49425 -3.56246 -9.49413 88.4196 GPRESSURE: 3267800 -217.744 -64.6444 31.0806 75.9595 -1.06891 39.0218 20.6939 26.7812 136.004 PRESSAVG: 3267800 -22.7017 50.602 -0.306795 50.602 -57.7551 -30.865 -0.306729 -30.865 43.5422 GPRESSAVG: 3267800 -22.8217 50.0378 -4.52819 51.1606 -58.3759 -31.7042 1.72473 -30.8511 44.2516 TIMING: 3267800 CPU: 9486.33, 0.00289724/step Wall: 9486.33, 0.00289724/step, 1.39406 hours remaining, 207.773438 MB of memory in use. ENERGY: 3267800 752.1035 2073.8663 1990.2429 108.5534 -206195.7485 17958.9300 0.0000 0.0000 34387.2283 -148924.8241 300.3122 -183312.0524 -148833.1330 300.4940 -58.0916 -27.6029 558982.9424 -12.3049 -12.3153 PRESSURE: 3268000 -63.0894 -108.532 36.5594 -108.532 -323.352 0.741698 36.5596 0.741342 131.937 GPRESSURE: 3268000 -59.4592 -68.7528 96.2359 -141.882 -214.039 0.549512 -8.80277 -28.949 111.275 PRESSAVG: 3268000 -132.867 29.1033 20.013 29.1033 36.1771 -8.53882 20.013 -8.53889 84.8305 GPRESSAVG: 3268000 -132.673 27.8751 23.3804 28.9983 36.4693 -6.43671 18.1271 -12.1011 84.0224 TIMING: 3268000 CPU: 9486.91, 0.00289072/step Wall: 9486.91, 0.00289072/step, 1.39076 hours remaining, 207.773438 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: 3268000 717.6912 2135.0535 1993.1527 113.3964 -205990.5701 17603.9808 0.0000 0.0000 34350.4270 -149076.8686 299.9908 -183427.2956 -148980.4901 299.5826 -84.8348 -54.0744 559042.8958 -3.9532 -4.0604 PRESSURE: 3268200 -34.586 128.851 -6.26239 128.851 376.444 1.55124 -6.26281 1.55124 32.0639 GPRESSURE: 3268200 5.05897 114.608 -10.7152 123.68 441.03 -85.23 43.325 87.9826 17.6671 PRESSAVG: 3268200 -25.4782 14.6867 -26.6922 14.6868 25.5241 51.7384 -26.6922 51.7384 39.2455 GPRESSAVG: 3268200 -24.7024 16.1871 -27.4301 13.8068 24.3256 49.7813 -27.6871 53.8765 38.8284 TIMING: 3268200 CPU: 9487.49, 0.00289503/step Wall: 9487.49, 0.00289503/step, 1.39267 hours remaining, 207.773438 MB of memory in use. ENERGY: 3268200 758.7239 2060.0798 1992.4588 100.7363 -206245.8515 17981.9965 0.0000 0.0000 34328.0381 -149023.8180 299.7953 -183351.8561 -148928.1965 299.2772 124.6406 154.5853 556974.5785 13.0971 12.8172 LDB: ============= START OF LOAD BALANCING ============== 9490.95 LDB: ============== END OF LOAD BALANCING =============== 9490.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9490.96 LDB: ============= START OF LOAD BALANCING ============== 9491.24 LDB: Largest compute 4848 load 0.028639 is 24.3% of average load 0.117771 LDB: Average compute 0.001714 is 1.5% of average load 0.117771 LDB: TIME 9491.25 LOAD: AVG 0.117771 MAX 0.180032 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 9491.25 LOAD: AVG 0.117771 MAX 0.180032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: TIME 9491.25 LOAD: AVG 0.117771 MAX 0.180032 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: ============== END OF LOAD BALANCING =============== 9491.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9491.25 PRESSURE: 3268400 -48.2434 175.737 88.2104 175.738 15.6425 21.7163 88.2122 21.7164 -65.6854 GPRESSURE: 3268400 5.932 164.349 137.469 171.354 15.2737 23.136 25.9504 46.5178 -33.2823 PRESSAVG: 3268400 -36.9122 57.3241 52.5245 57.3241 -2.33893 -20.2386 52.5244 -20.2386 -9.76794 GPRESSAVG: 3268400 -38.2955 54.6446 50.3748 58.7152 -2.73874 -19.9561 55.1374 -19.7109 -8.35141 TIMING: 3268400 CPU: 9488.08, 0.00294462/step Wall: 9488.08, 0.00294462/step, 1.41636 hours remaining, 204.652344 MB of memory in use. ENERGY: 3268400 702.9239 2050.6531 1946.2288 114.8314 -206070.6521 17810.8257 0.0000 0.0000 34440.0774 -149005.1117 300.7738 -183445.1892 -148910.8072 299.2895 -32.7621 -4.0255 556876.5511 -16.3397 -16.4619 PRESSURE: 3268600 -109.871 -5.17212 49.5847 -5.17096 237.377 -89.1425 49.5854 -89.144 -197.391 GPRESSURE: 3268600 -39.337 26.0447 44.9875 -30.7854 200.446 -5.33952 95.798 -127.895 -135.053 PRESSAVG: 3268600 45.8218 31.1499 23.0171 31.1499 -37.6954 -76.4473 23.0172 -76.4474 32.42 GPRESSAVG: 3268600 45.485 34.4675 24.0605 29.1193 -37.1674 -76.811 21.9653 -77.5491 32.4125 TIMING: 3268600 CPU: 9488.65, 0.00287633/step Wall: 9488.65, 0.00287633/step, 1.38335 hours remaining, 204.855469 MB of memory in use. ENERGY: 3268600 721.2503 2057.9227 1960.2999 112.2225 -205740.3671 17648.7399 0.0000 0.0000 34240.0406 -148999.8913 299.0268 -183239.9319 -148899.4607 299.3593 -23.2950 8.6854 558907.4833 13.5155 13.5767 PRESSURE: 3268800 -82.178 -53.3504 13.5635 -53.3499 -90.8407 -73.3502 13.5637 -73.3498 -64.4216 GPRESSURE: 3268800 -51.1563 4.0543 18.029 -93.5049 -11.1584 -32.8003 -1.28475 -131.685 -78.5793 PRESSAVG: 3268800 54.479 7.71111 29.1767 7.71106 -29.4662 -46.164 29.1768 -46.164 -30.815 GPRESSAVG: 3268800 55.5559 7.25697 29.5132 8.0531 -29.9272 -45.1818 29.6638 -46.6228 -30.4324 TIMING: 3268800 CPU: 9489.23, 0.00288127/step Wall: 9489.23, 0.00288127/step, 1.38557 hours remaining, 204.855469 MB of memory in use. ENERGY: 3268800 762.7976 2065.4652 1953.9908 113.9652 -206025.9613 17737.9897 0.0000 0.0000 34403.6323 -148988.1204 300.4555 -183391.7527 -148893.1768 300.0991 -79.1468 -46.9646 557182.1038 -1.9341 -1.6012 PRESSURE: 3269000 191.496 339.26 -80.0814 339.26 202.448 186.849 -80.0817 186.85 -182.565 GPRESSURE: 3269000 237.954 271.339 -101.54 275.494 219.669 130.054 -34.4804 209.67 -161.325 PRESSAVG: 3269000 -8.93663 11.28 -5.36426 11.28 30.1493 34.9196 -5.36414 34.9196 5.82919 GPRESSAVG: 3269000 -9.74292 11.517 -5.4387 11.9647 30.9619 33.4346 -5.50179 36.7947 5.80936 TIMING: 3269000 CPU: 9489.8, 0.00287027/step Wall: 9489.8, 0.00287027/step, 1.38012 hours remaining, 204.855469 MB of memory in use. ENERGY: 3269000 726.6652 2077.0574 1962.4371 101.7165 -206176.3143 17887.0703 0.0000 0.0000 34405.0223 -149016.3454 300.4676 -183421.3678 -148920.9090 299.3364 70.4596 98.7660 557562.5847 9.0140 9.0095 PRESSURE: 3269200 118.464 -172 33.1036 -172 -159.082 110.844 33.1031 110.844 410.821 GPRESSURE: 3269200 168.4 -260.501 26.4205 -129.339 -134.765 102.514 31.7574 17.6217 435.417 PRESSAVG: 3269200 27.9933 -1.92515 1.59106 -1.92526 4.20092 23.4452 1.59102 23.4452 -28.3117 GPRESSAVG: 3269200 28.914 -1.66167 0.477941 -2.02043 4.19367 25.4733 1.43282 21.5166 -29.3812 TIMING: 3269200 CPU: 9490.38, 0.00287035/step Wall: 9490.38, 0.00287035/step, 1.38 hours remaining, 204.855469 MB of memory in use. ENERGY: 3269200 725.5434 2115.7033 1983.7658 108.0520 -206280.9942 17874.5752 0.0000 0.0000 34379.8379 -149093.5168 300.2477 -183473.3546 -149000.3596 299.0277 123.4011 156.3508 556071.6387 1.2942 1.2422 PRESSURE: 3269400 192.537 -174.477 -131.042 -174.475 318.922 9.00015 -131.042 8.9997 139.975 GPRESSURE: 3269400 217.412 -127.583 -163.792 -78.5235 381.571 -89.1834 -64.4393 87.7193 138.143 PRESSAVG: 3269400 20.3342 5.36959 -16.5971 5.36964 -41.3836 57.1401 -16.5971 57.1402 25.3312 GPRESSAVG: 3269400 20.593 5.38562 -15.1663 5.25357 -42.0655 56.8399 -16.8768 58.3699 25.5173 TIMING: 3269400 CPU: 9490.96, 0.00289176/step Wall: 9490.96, 0.00289176/step, 1.39013 hours remaining, 204.855469 MB of memory in use. ENERGY: 3269400 709.1995 2028.2604 1959.9386 100.8469 -206677.4272 18243.1995 0.0000 0.0000 34467.4814 -149168.5009 301.0131 -183635.9823 -149065.8413 299.3444 217.1444 245.7083 557344.5161 1.4273 1.3483 PRESSURE: 3269600 -303.588 -191.241 7.46344 -191.241 231.283 -101.978 7.46321 -101.978 108.703 GPRESSURE: 3269600 -279.713 -249.753 66.7777 -106.507 308.413 -138.035 -59.3687 -80.4498 81.086 PRESSAVG: 3269600 -34.1214 -46.8531 2.7647 -46.853 26.8048 -27.6738 2.76471 -27.6738 20.3103 GPRESSAVG: 3269600 -34.7445 -46.5244 4.63812 -45.5898 27.2961 -28.2391 2.23434 -28.7323 20.1066 TIMING: 3269600 CPU: 9491.53, 0.00288086/step Wall: 9491.53, 0.00288086/step, 1.38474 hours remaining, 204.855469 MB of memory in use. ENERGY: 3269600 721.7333 2116.9455 1969.5273 109.0105 -206461.5943 17980.3338 0.0000 0.0000 34336.7362 -149227.3078 299.8713 -183564.0440 -149135.5163 299.7435 12.1324 36.5953 557425.7944 4.3313 4.2194 PRESSURE: 3269800 -224.919 -51.6064 -111.074 -51.6061 -382.433 -127.436 -111.074 -127.437 -189.927 GPRESSURE: 3269800 -189.534 -4.7498 -141.324 -195.694 -376.129 -150.06 -90.3236 -130.423 -137.203 PRESSAVG: 3269800 0.156047 5.48009 -1.87864 5.48015 -10.4469 -25.7963 -1.87864 -25.7962 11.0515 GPRESSAVG: 3269800 0.179104 3.75954 -5.30737 5.60624 -10.2428 -25.7585 -0.672606 -25.1091 11.0449 TIMING: 3269800 CPU: 9492.11, 0.00288891/step Wall: 9492.11, 0.00288891/step, 1.38844 hours remaining, 204.855469 MB of memory in use. ENERGY: 3269800 741.6311 2105.1571 1941.0262 108.1459 -205425.3065 17230.4154 0.0000 0.0000 34168.5681 -149130.3627 298.4026 -183298.9308 -149032.1323 298.9699 -265.7599 -234.2887 559332.0869 0.2535 0.3271 PRESSURE: 3270000 -119.48 25.1604 26.2707 25.1602 -50.4229 -91.3922 26.2707 -91.3918 -11.1706 GPRESSURE: 3270000 -102.329 59.7961 55.4847 -59.2296 -17.461 -30.7921 17.2511 -150.05 29.8689 PRESSAVG: 3270000 -36.2335 14.0446 -11.7736 14.0447 -26.0804 10.9385 -11.7737 10.9386 8.62261 GPRESSAVG: 3270000 -35.6191 15.8928 -11.3573 12.8939 -27.3975 9.39359 -12.6094 10.2458 9.16163 TIMING: 3270000 CPU: 9492.68, 0.00287284/step Wall: 9492.68, 0.00287284/step, 1.38056 hours remaining, 204.855469 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: 3270000 758.3806 2108.9904 1962.1313 109.4255 -206213.5185 17679.1966 0.0000 0.0000 34238.0221 -149357.3720 299.0092 -183595.3941 -149268.4624 298.2450 -60.3579 -29.9738 557198.4646 -17.8971 -17.9517 PRESSURE: 3270200 -21.5781 -15.0349 201.111 -15.0355 -188.044 3.75162 201.111 3.75274 -50.0715 GPRESSURE: 3270200 -46.3267 61.0379 292.693 -76.0911 -110.969 65.9623 160.076 -25.5512 -0.805714 PRESSAVG: 3270200 -4.58857 23.7474 13.4571 23.7473 31.425 -22.2754 13.4571 -22.2753 18.4078 GPRESSAVG: 3270200 -5.65195 23.7011 14.7422 24.9477 33.9642 -20.1999 13.8307 -22.7042 17.2439 TIMING: 3270200 CPU: 9493.26, 0.00288188/step Wall: 9493.26, 0.00288188/step, 1.38474 hours remaining, 204.855469 MB of memory in use. ENERGY: 3270200 742.5256 2090.9517 1969.8798 110.9902 -205988.2814 17824.0516 0.0000 0.0000 34017.4459 -149232.4366 297.0828 -183249.8825 -149139.4676 298.4579 -86.5646 -52.7004 558327.9698 15.0814 15.1854 PRESSURE: 3270400 -116.653 -103.915 -54.8255 -103.915 101.153 -125.096 -54.8277 -125.097 -124.903 GPRESSURE: 3270400 -68.9232 -121.93 -41.0614 -35.9118 74.195 -240.624 -73.3199 -89.6024 -37.1782 PRESSAVG: 3270400 58.1805 -19.2721 4.69246 -19.2721 57.0405 -27.9964 4.69248 -27.9964 -89.2009 GPRESSAVG: 3270400 57.9811 -20.2332 4.1396 -20.5475 56.4038 -28.0426 4.46226 -30.2437 -89.0223 TIMING: 3270400 CPU: 9493.84, 0.00287903/step Wall: 9493.84, 0.00287903/step, 1.38321 hours remaining, 205.156250 MB of memory in use. ENERGY: 3270400 765.9537 2042.9228 1968.2067 126.8937 -206195.1099 17812.2245 0.0000 0.0000 34360.6431 -149118.2654 300.0800 -183478.9085 -149021.2584 298.8384 -46.8010 -10.6355 557645.7205 8.6734 8.4542 PRESSURE: 3270600 -66.6724 60.0664 -77.6704 60.0664 249.059 196.761 -77.6703 196.762 -288.366 GPRESSURE: 3270600 -41.9491 51.3313 -85.3971 111.308 256.236 201.184 9.7111 226.64 -227.363 PRESSAVG: 3270600 -3.90223 -10.042 -17.3092 -10.042 92.2656 30.9353 -17.3092 30.9352 -110.386 GPRESSAVG: 3270600 -4.06291 -11.9721 -14.7669 -7.55403 90.7098 30.8871 -17.2306 32.2132 -108.736 TIMING: 3270600 CPU: 9494.41, 0.00287878/step Wall: 9494.41, 0.00287878/step, 1.38293 hours remaining, 205.156250 MB of memory in use. ENERGY: 3270600 769.8015 2018.1173 1982.9247 110.8065 -206346.2667 17878.7623 0.0000 0.0000 34323.4111 -149262.4434 299.7549 -183585.8545 -149163.6893 299.3990 -35.3264 -4.3586 556641.7988 -7.3409 -7.3631 PRESSURE: 3270800 -328.961 54.0933 -13.005 54.0937 -102.506 88.7989 -13.0049 88.8004 -43.7635 GPRESSURE: 3270800 -261.139 73.6565 -103.444 56.8994 -85.5508 134.423 31.4405 -13.68 -35.4915 PRESSAVG: 3270800 24.7089 26.9769 17.5885 26.977 61.9663 29.9025 17.5885 29.9026 -31.5057 GPRESSAVG: 3270800 25.5903 29.6733 15.2513 26.349 63.326 28.1788 17.835 31.0837 -33.3759 TIMING: 3270800 CPU: 9494.99, 0.00286938/step Wall: 9494.99, 0.00286938/step, 1.37826 hours remaining, 205.156250 MB of memory in use. ENERGY: 3270800 760.4841 2108.6972 1972.1643 113.2023 -205765.5968 17477.5523 0.0000 0.0000 34167.7617 -149165.7350 298.3956 -183333.4967 -149074.4612 299.6669 -158.4099 -127.3937 558755.2385 18.3898 18.5135 PRESSURE: 3271000 3.86011 87.8957 78.7052 87.8964 81.5464 -37.905 78.7043 -37.9052 -7.3583 GPRESSURE: 3271000 6.95853 80.9717 82.4349 37.0731 150.816 -13.4942 15.2337 -104.284 24.2002 PRESSAVG: 3271000 24.7331 -37.2495 45.2047 -37.2496 31.5907 4.86778 45.2047 4.86782 -31.959 GPRESSAVG: 3271000 24.8252 -38.6257 43.9208 -36.8734 31.0704 5.34619 44.9228 4.28534 -31.6522 TIMING: 3271000 CPU: 9495.56, 0.00288968/step Wall: 9495.56, 0.00288968/step, 1.38785 hours remaining, 205.289062 MB of memory in use. ENERGY: 3271000 773.9022 2111.7713 1985.8548 110.2329 -206509.2557 18093.9891 0.0000 0.0000 34352.9207 -149080.5846 300.0126 -183433.5053 -148990.7290 299.7029 26.0161 60.6582 557698.7513 8.1216 8.0812 PRESSURE: 3271200 -286.926 0.0802613 65.7057 0.0793036 -181.046 194.592 65.7058 194.59 -375.342 GPRESSURE: 3271200 -271.628 -22.8707 28.3061 -1.61461 -133.984 190.558 94.4896 177.299 -356.582 PRESSAVG: 3271200 11.5492 60.1669 -11.8633 60.1668 14.7382 -26.8122 -11.8633 -26.8122 -43.7195 GPRESSAVG: 3271200 12.2361 61.0893 -9.41912 59.8035 13.8655 -26.1241 -11.8683 -26.1131 -43.9846 TIMING: 3271200 CPU: 9496.14, 0.00288832/step Wall: 9496.14, 0.00288832/step, 1.38703 hours remaining, 205.289062 MB of memory in use. ENERGY: 3271200 744.5418 2117.6585 1951.9605 97.8383 -205835.0667 17566.6819 0.0000 0.0000 34272.9017 -149083.4840 299.3138 -183356.3857 -148990.1725 299.5005 -281.1050 -254.0648 559174.7651 -5.8107 -5.9610 PRESSURE: 3271400 31.9831 -70.5215 149.469 -70.5221 -222.627 -27.988 149.47 -27.9861 -118.378 GPRESSURE: 3271400 34.9329 -10.7263 146.951 -159.474 -153.543 -110.691 157.789 -65.9459 -87.2268 PRESSAVG: 3271400 63.015 2.57531 -9.76278 2.57532 -46.6787 9.7398 -9.76275 9.74001 39.7125 GPRESSAVG: 3271400 62.2024 3.3607 -10.6419 2.22928 -46.1144 8.12892 -7.63489 10.2406 39.6798 TIMING: 3271400 CPU: 9496.72, 0.00288192/step Wall: 9496.72, 0.00288192/step, 1.3838 hours remaining, 205.289062 MB of memory in use. ENERGY: 3271400 796.3740 2092.2073 1949.7812 114.1578 -206377.9871 17885.6452 0.0000 0.0000 34381.2525 -149158.5692 300.2600 -183539.8217 -149066.9480 299.6922 -103.0071 -68.6124 557989.0445 18.6829 18.5892 PRESSURE: 3271600 155.604 212.973 -130.891 212.972 2.9686 -157.657 -130.891 -157.658 -174.472 GPRESSURE: 3271600 240.038 130.824 -88.4446 169.837 4.19837 -193.83 -213.94 -168.16 -156.592 PRESSAVG: 3271600 40.385 -55.6317 -3.94169 -55.6317 -23.1243 -10.2088 -3.94174 -10.2088 -31.7527 GPRESSAVG: 3271600 40.4266 -57.6784 -2.82608 -56.1016 -22.2489 -8.65815 -4.82826 -10.5902 -32.0799 TIMING: 3271600 CPU: 9497.3, 0.00288357/step Wall: 9497.3, 0.00288357/step, 1.38443 hours remaining, 205.289062 MB of memory in use. ENERGY: 3271600 729.1027 2036.3161 1933.1915 120.6076 -205847.9790 17747.5307 0.0000 0.0000 34136.8168 -149144.4136 298.1253 -183281.2304 -149046.0421 298.9237 -5.2999 29.2147 559017.2032 -4.8307 -4.6341 PRESSURE: 3271800 -17.2065 -38.679 36.4146 -38.6781 87.8478 137.444 36.4148 137.445 -56.1045 GPRESSURE: 3271800 48.6629 14.97 33.1576 -53.62 106.728 119.727 108.203 197.086 -47.5529 PRESSAVG: 3271800 26.2617 0.539144 13.5391 0.539233 3.1768 1.19001 13.5391 1.18999 14.485 GPRESSAVG: 3271800 26.5099 2.07566 12.9148 0.634241 1.91793 1.09915 12.134 2.85724 15.0947 TIMING: 3271800 CPU: 9497.88, 0.00290258/step Wall: 9497.88, 0.00290258/step, 1.3934 hours remaining, 205.289062 MB of memory in use. ENERGY: 3271800 751.9713 2072.5653 1990.4577 109.8628 -206086.8974 17796.7348 0.0000 0.0000 34113.4577 -149251.8477 297.9213 -183365.3054 -149153.5589 298.5135 4.8456 35.9458 558521.4919 14.6412 14.5075 PRESSURE: 3272000 -72.6876 19.2101 -34.7145 19.21 -30.8469 5.05963 -34.7135 5.06041 -392.502 GPRESSURE: 3272000 -46.2635 -24.2948 25.0155 37.1153 -49.7781 -15.7198 -73.6178 19.3793 -313.283 PRESSAVG: 3272000 59.923 -63.2303 -55.7137 -63.2303 3.93777 25.4752 -55.7137 25.4752 -36.0285 GPRESSAVG: 3272000 59.5172 -64.3967 -54.4525 -62.5523 4.73027 27.8341 -55.24 23.4407 -36.4689 TIMING: 3272000 CPU: 9498.46, 0.00289995/step Wall: 9498.46, 0.00289995/step, 1.39198 hours remaining, 205.289062 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: 3272000 768.4300 2056.0356 1968.5630 126.6722 -206305.6274 17817.2915 0.0000 0.0000 34306.8933 -149261.7419 299.6106 -183568.6352 -149163.3834 299.0747 -165.3454 -136.4414 557151.2391 9.2774 9.2595 PRESSURE: 3272200 -169.529 88.6949 203.963 88.6957 168.588 75.4162 203.964 75.4161 129.368 GPRESSURE: 3272200 -92.398 86.4016 160.616 155.925 202.394 47.216 76.9059 121.723 103.735 PRESSAVG: 3272200 -28.3946 -50.2373 8.7492 -50.2373 2.88305 -28.7382 8.74908 -28.7382 28.7352 GPRESSAVG: 3272200 -26.9865 -48.4994 6.94936 -50.0918 2.79011 -31.5855 8.4143 -27.8349 28.0303 TIMING: 3272200 CPU: 9499.03, 0.00289571/step Wall: 9499.03, 0.00289571/step, 1.38978 hours remaining, 205.289062 MB of memory in use. ENERGY: 3272200 730.6967 2094.8902 1954.6332 107.9340 -206164.9610 17894.1692 0.0000 0.0000 34091.3513 -149291.2863 297.7283 -183382.6376 -149193.4468 299.6769 42.8087 71.2437 557784.7692 1.0745 1.2780 LDB: ============= START OF LOAD BALANCING ============== 9502.5 LDB: ============== END OF LOAD BALANCING =============== 9502.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9502.5 LDB: ============= START OF LOAD BALANCING ============== 9502.79 LDB: Largest compute 4848 load 0.027322 is 23.2% of average load 0.117802 LDB: Average compute 0.001703 is 1.4% of average load 0.117802 LDB: TIME 9502.8 LOAD: AVG 0.117802 MAX 0.180157 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.723 MB LDB: TIME 9502.8 LOAD: AVG 0.117802 MAX 0.180157 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: TIME 9502.8 LOAD: AVG 0.117802 MAX 0.180157 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9502.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9502.8 PRESSURE: 3272400 -47.2124 -221.079 54.9211 -221.078 -130.15 94.2202 54.9211 94.2203 315.775 GPRESSURE: 3272400 10.8191 -200.638 0.384229 -238.1 -40.281 8.1303 125.51 170.984 253.921 PRESSAVG: 3272400 -44.2194 -19.4963 42.2945 -19.4963 -32.1071 4.46245 42.2945 4.46257 72.5739 GPRESSAVG: 3272400 -44.7943 -21.1851 43.1344 -18.5797 -31.1263 2.45846 43.4583 3.51017 71.9663 TIMING: 3272400 CPU: 9499.63, 0.00296022/step Wall: 9499.63, 0.00296022/step, 1.42058 hours remaining, 207.582031 MB of memory in use. ENERGY: 3272400 748.6135 2015.1456 1970.9082 114.1077 -206256.7388 17872.8994 0.0000 0.0000 34341.9457 -149193.1187 299.9168 -183535.0645 -149091.1701 298.5891 46.1376 74.8198 556236.8097 -1.2508 -1.3181 PRESSURE: 3272600 -34.1516 111.334 55.6103 111.334 -83.3577 29.4641 55.6087 29.4638 274.921 GPRESSURE: 3272600 15.9944 102.59 47.5191 219.139 -33.6517 42.5381 87.3316 44.5276 269.34 PRESSAVG: 3272600 45.8074 -40.9847 60.4261 -40.9848 3.76608 20.2264 60.426 20.2264 -3.79208 GPRESSAVG: 3272600 44.5938 -40.8218 60.0576 -42.2996 3.30276 23.7154 61.2806 20.4545 -2.19822 TIMING: 3272600 CPU: 9500.2, 0.00288722/step Wall: 9500.2, 0.00288722/step, 1.38539 hours remaining, 207.628906 MB of memory in use. ENERGY: 3272600 743.6367 2049.8308 1930.7753 121.3145 -206459.2136 17881.0244 0.0000 0.0000 34446.6169 -149286.0150 300.8309 -183732.6318 -149186.7050 298.8824 52.4704 83.8941 557795.1735 15.2605 15.2328 PRESSURE: 3272800 -259.945 -80.4885 13.5528 -80.489 -159.903 -20.0394 13.5528 -20.042 4.34091 GPRESSURE: 3272800 -192.551 -60.6982 0.218181 -55.1801 -149.447 -23.6321 63.2873 33.4865 24.6934 PRESSAVG: 3272800 5.90803 -3.43533 -4.12564 -3.43539 -39.8855 -43.4053 -4.1256 -43.4052 72.2435 GPRESSAVG: 3272800 7.64921 -3.43345 -2.88377 -3.02883 -40.7714 -44.7282 -4.60599 -41.3261 72.0169 TIMING: 3272800 CPU: 9500.78, 0.00288957/step Wall: 9500.78, 0.00288957/step, 1.38635 hours remaining, 207.824219 MB of memory in use. ENERGY: 3272800 774.1862 2048.1882 1987.3632 108.9887 -205994.0316 17681.6094 0.0000 0.0000 34139.5122 -149254.1836 298.1489 -183393.6959 -149150.4840 298.6222 -138.5022 -105.7681 557971.3571 12.7553 12.9649 PRESSURE: 3273000 -47.5866 -87.9515 66.2318 -87.9506 6.39102 37.388 66.2316 37.3905 5.27464 GPRESSURE: 3273000 11.5075 -108.014 48.3085 -4.693 5.02353 96.0112 -22.8093 27.1081 49.7966 PRESSAVG: 3273000 39.2955 -38.292 58.2507 -38.2919 -29.6793 23.5466 58.2506 23.5466 -9.11483 GPRESSAVG: 3273000 39.4995 -36.9542 58.4271 -37.3941 -29.6666 26.8657 58.8801 19.1651 -9.51556 TIMING: 3273000 CPU: 9501.36, 0.00288141/step Wall: 9501.36, 0.00288141/step, 1.38228 hours remaining, 207.824219 MB of memory in use. ENERGY: 3273000 767.8101 2027.7780 1985.6738 112.3322 -206337.4550 17955.8380 0.0000 0.0000 34272.0878 -149215.9350 299.3067 -183488.0229 -149118.9470 299.3132 -11.9736 22.1092 558477.6205 0.1671 0.1058 PRESSURE: 3273200 150.379 -103.716 189.483 -103.717 -121.558 237.497 189.484 237.497 156.361 GPRESSURE: 3273200 181.584 -170.306 71.1708 -22.4936 -106.226 292.035 249.403 169.327 208.089 PRESSAVG: 3273200 9.57816 -39.3388 -17.7762 -39.3388 -18.0575 36.4902 -17.7762 36.4902 -31.6228 GPRESSAVG: 3273200 9.13087 -40.1594 -20.0428 -42.1523 -17.1624 34.8611 -17.2012 37.2231 -31.5839 TIMING: 3273200 CPU: 9501.94, 0.00289912/step Wall: 9501.94, 0.00289912/step, 1.39061 hours remaining, 207.824219 MB of memory in use. ENERGY: 3273200 771.9673 2110.9988 1963.9512 106.5942 -206668.5812 18252.4046 0.0000 0.0000 34256.8475 -149205.8176 299.1736 -183462.6651 -149114.0599 299.6484 61.7274 94.4822 557854.1741 -13.3674 -13.2052 PRESSURE: 3273400 -214.331 108.582 -12.8471 108.582 -108.712 -23.8781 -12.848 -23.8793 -280.835 GPRESSURE: 3273400 -181.176 170.858 -39.7439 69.4571 -60.7508 -50.2972 -9.99619 -23.7692 -265.503 PRESSAVG: 3273400 31.6236 -38.5564 44.7779 -38.5565 -2.58791 23.5513 44.7779 23.5513 -48.5697 GPRESSAVG: 3273400 31.2546 -35.6802 46.9573 -39.7865 -2.74509 22.506 44.3012 24.8256 -48.1688 TIMING: 3273400 CPU: 9502.52, 0.00292319/step Wall: 9502.52, 0.00292319/step, 1.402 hours remaining, 207.824219 MB of memory in use. ENERGY: 3273400 744.1183 2098.7109 1936.5201 120.9841 -205517.2157 17370.5205 0.0000 0.0000 34156.8395 -149089.5225 298.3002 -183246.3619 -148994.1916 299.3094 -201.2929 -169.1433 557958.7043 -6.5113 -6.5531 PRESSURE: 3273600 -198.636 6.39957 -83.2444 6.40066 104.467 151.336 -83.2436 151.335 20.9481 GPRESSURE: 3273600 -107.025 -52.8429 -33.8104 5.07465 129.343 154.468 -10.6495 121.665 -11.3279 PRESSAVG: 3273600 2.73628 -50.0162 4.0627 -50.0161 87.5516 5.34859 4.06284 5.34852 -30.0172 GPRESSAVG: 3273600 3.28452 -51.4955 2.4118 -48.1095 85.925 5.41612 5.10724 4.6616 -29.0599 TIMING: 3273600 CPU: 9503.1, 0.00290183/step Wall: 9503.1, 0.00290183/step, 1.39159 hours remaining, 207.824219 MB of memory in use. ENERGY: 3273600 766.1423 2051.9839 1950.9047 113.7710 -206081.0721 17736.4851 0.0000 0.0000 34352.0959 -149109.6892 300.0054 -183461.7851 -149000.8913 299.4153 -24.4069 3.6636 558226.2403 20.0902 20.0499 PRESSURE: 3273800 -142.072 51.2651 11.527 51.2659 -125.068 76.2151 11.5276 76.2144 4.74106 GPRESSURE: 3273800 -84.9116 5.72243 63.995 114.612 -82.0225 135.777 -81.8385 93.6184 4.33325 PRESSAVG: 3273800 64.1244 17.65 2.87066 17.65 -20.4517 25.4487 2.87066 25.4487 -63.7894 GPRESSAVG: 3273800 65.0799 15.6585 4.75273 18.6219 -20.3865 25.4161 0.0757394 25.5166 -65.0295 TIMING: 3273800 CPU: 9503.68, 0.00289156/step Wall: 9503.68, 0.00289156/step, 1.3865 hours remaining, 207.824219 MB of memory in use. ENERGY: 3273800 732.4913 2075.2768 1954.4132 108.1701 -206087.2336 17716.7315 0.0000 0.0000 34305.0038 -149195.1470 299.5941 -183500.1507 -149100.3103 299.3135 -87.4661 -54.2003 558125.9329 -6.7056 -6.7787 PRESSURE: 3274000 139.574 18.1264 -7.25404 18.1265 111.695 74.6526 -7.25486 74.6539 126.788 GPRESSURE: 3274000 210.025 -24.1284 70.1623 23.4731 130.95 93.7185 22.1548 130.823 125.894 PRESSAVG: 3274000 18.1564 17.3104 -19.309 17.3104 -20.7351 -17.1975 -19.309 -17.1974 -18.0425 GPRESSAVG: 3274000 16.9279 19.0093 -21.0574 17.3885 -20.0189 -17.6771 -19.1998 -17.2674 -17.5266 TIMING: 3274000 CPU: 9504.26, 0.00291441/step Wall: 9504.26, 0.00291441/step, 1.3973 hours remaining, 207.824219 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: 3274000 713.1018 2104.4366 1987.7675 107.3269 -206358.8753 17996.4829 0.0000 0.0000 34319.2613 -149130.4984 299.7186 -183449.7597 -149036.9028 299.3129 126.0191 155.6230 557876.1909 -6.8737 -6.8725 PRESSURE: 3274200 -365.145 -66.3336 -121.262 -66.3339 -319.92 18.1854 -121.263 18.1855 -26.5928 GPRESSURE: 3274200 -320.691 23.7912 -134.307 -157.401 -308.066 17.806 9.71433 17.2677 15.5084 PRESSAVG: 3274200 3.99313 -47.2082 -6.15505 -47.2082 6.62866 30.8033 -6.15508 30.8033 21.3542 GPRESSAVG: 3274200 4.73354 -48.5672 -5.71968 -47.9037 6.4387 31.4573 -4.60414 29.7548 21.623 TIMING: 3274200 CPU: 9504.85, 0.00290829/step Wall: 9504.85, 0.00290829/step, 1.3942 hours remaining, 207.824219 MB of memory in use. ENERGY: 3274200 738.8412 2077.7647 1969.9825 113.9528 -205402.1514 17347.3561 0.0000 0.0000 33967.6393 -149186.6150 296.6478 -183154.2542 -149087.4627 299.3020 -237.2191 -204.4162 558712.9671 10.6587 10.9318 PRESSURE: 3274400 111.564 13.265 155.525 13.266 -235.649 -107.745 155.524 -107.746 -448.053 GPRESSURE: 3274400 128.269 27.0296 72.7901 2.154 -246.979 -79.4044 174.423 -74.5471 -357.545 PRESSAVG: 3274400 63.8944 -8.65338 -36.8992 -8.65346 -90.2892 26.7408 -36.8992 26.7409 11.3359 GPRESSAVG: 3274400 61.4982 -8.62076 -37.0345 -7.37068 -89.9168 27.9991 -37.1191 27.8385 12.7702 TIMING: 3274400 CPU: 9505.43, 0.00290415/step Wall: 9505.43, 0.00290415/step, 1.39206 hours remaining, 207.824219 MB of memory in use. ENERGY: 3274400 783.4637 2134.6807 1995.8038 111.6013 -206001.0139 17571.8054 0.0000 0.0000 34255.7041 -149147.9550 299.1636 -183403.6591 -149056.1453 299.6050 -190.7128 -158.7517 559934.1440 -5.0196 -5.2161 PRESSURE: 3274600 -3.56211 10.0238 39.9944 10.0248 -138.595 -36.0748 39.9959 -36.0759 -177.128 GPRESSURE: 3274600 3.41733 72.0475 32.1824 59.2535 -74.2836 -98.4377 5.72389 -37.2554 -162.705 PRESSAVG: 3274600 70.34 10.8413 29.7988 10.8413 -28.2968 14.7597 29.7988 14.7597 -33.6091 GPRESSAVG: 3274600 72.6432 10.9852 28.4027 10.0729 -28.4547 13.1293 31.6674 16.0681 -35.4682 TIMING: 3274600 CPU: 9506.01, 0.00289082/step Wall: 9506.01, 0.00289082/step, 1.3855 hours remaining, 207.824219 MB of memory in use. ENERGY: 3274600 796.9503 2147.8657 1926.9921 109.3692 -205912.2485 17674.1221 0.0000 0.0000 34127.1793 -149129.7699 298.0411 -183256.9492 -149033.4707 299.3677 -106.4286 -77.8569 557924.3911 2.8114 2.9067 PRESSURE: 3274800 46.0415 124.329 52.9765 124.329 18.7373 -67.6006 52.9774 -67.6002 52.9192 GPRESSURE: 3274800 100.66 54.5468 -1.62433 125.518 78.0126 -155.439 81.6323 -45.9759 37.1965 PRESSAVG: 3274800 21.264 3.91561 50.8826 3.91556 12.2557 22.2031 50.8825 22.2031 -28.4174 GPRESSAVG: 3274800 19.5189 5.53883 51.9149 3.0097 13.2069 21.7249 48.94 23.0572 -27.7859 TIMING: 3274800 CPU: 9506.59, 0.00291737/step Wall: 9506.59, 0.00291738/step, 1.39807 hours remaining, 207.824219 MB of memory in use. ENERGY: 3274800 780.2130 2161.9427 1922.1248 112.9625 -206045.2487 17714.8369 0.0000 0.0000 34234.4151 -149118.7536 298.9777 -183353.1687 -149024.5948 298.8959 39.2327 71.9562 557058.7838 1.7008 1.6466 PRESSURE: 3275000 -74.7619 -49.5053 157.873 -49.5057 64.6226 17.1045 157.873 17.1056 -43.6675 GPRESSURE: 3275000 -50.3147 -12.2384 128.032 -100.812 71.9793 12.3106 137.446 -16.5181 18.0278 PRESSAVG: 3275000 22.814 19.0176 -16.7279 19.0175 -1.69588 58.4956 -16.7279 58.4957 -55.0004 GPRESSAVG: 3275000 25.3282 16.6371 -16.8821 19.9866 -3.62196 59.2524 -17.3629 55.3571 -55.5419 TIMING: 3275000 CPU: 9507.17, 0.00290286/step Wall: 9507.17, 0.00290286/step, 1.39095 hours remaining, 207.824219 MB of memory in use. ENERGY: 3275000 685.3601 2169.7188 1953.4325 109.1252 -205958.1813 17630.1373 0.0000 0.0000 34129.2930 -149281.1143 298.0596 -183410.4073 -149174.7472 298.8508 -17.9356 13.2308 557256.7245 -11.2941 -11.2785 PRESSURE: 3275200 -28.9681 63.1027 35.465 63.1032 -180.916 -141.927 35.4642 -141.926 136.881 GPRESSURE: 3275200 -24.1052 2.08455 -19.0849 66.8496 -91.0763 -210.13 -12.2125 -41.915 128.969 PRESSAVG: 3275200 -35.4748 -6.26788 -7.00517 -6.26792 47.9355 -4.19166 -7.00517 -4.19157 -15.3157 GPRESSAVG: 3275200 -36.7738 -4.56644 -7.0178 -6.36269 48.9133 -3.29361 -6.42304 -4.15359 -14.9271 TIMING: 3275200 CPU: 9507.75, 0.00291547/step Wall: 9507.75, 0.00291547/step, 1.39683 hours remaining, 207.824219 MB of memory in use. ENERGY: 3275200 736.4905 2105.1424 1963.1460 111.3591 -206491.0601 17832.1568 0.0000 0.0000 34394.3194 -149348.4460 300.3741 -183742.7653 -149255.4440 298.4117 -24.3344 4.5958 556791.4834 -0.9517 -0.9292 PRESSURE: 3275400 -46.5105 80.8981 40.5437 80.8977 -8.31878 133.044 40.5436 133.041 -124.746 GPRESSURE: 3275400 -16.4474 139.349 70.2844 102.113 65.3336 53.324 42.4456 140.323 -146.841 PRESSAVG: 3275400 -19.3405 35.3627 -18.7409 35.3628 -21.5987 -20.2643 -18.7409 -20.2644 37.2039 GPRESSAVG: 3275400 -18.0835 34.684 -15.8363 35.2953 -22.0604 -22.0365 -19.8794 -18.8882 36.4936 TIMING: 3275400 CPU: 9508.34, 0.00291744/step Wall: 9508.34, 0.00291744/step, 1.39761 hours remaining, 207.824219 MB of memory in use. ENERGY: 3275400 775.7786 2087.2196 1972.6459 101.7691 -206285.1167 17755.0605 0.0000 0.0000 34425.6814 -149166.9616 300.6480 -183592.6430 -149063.0461 299.7620 -59.8583 -32.6516 557016.3324 -1.2451 -1.2167 PRESSURE: 3275600 57.1888 92.6526 88.0056 92.6535 181.338 30.4879 88.0056 30.489 62.0923 GPRESSURE: 3275600 116.834 52.9117 214.336 211.262 169.293 39.6738 36.5331 34.4499 121.331 PRESSAVG: 3275600 -21.4371 12.5597 1.20419 12.5597 -55.6509 78.7081 1.20416 78.7081 75.8171 GPRESSAVG: 3275600 -22.0669 13.0173 -1.4391 12.9317 -55.7869 78.7904 3.83695 79.3387 76.9718 TIMING: 3275600 CPU: 9508.92, 0.00291071/step Wall: 9508.92, 0.00291071/step, 1.39423 hours remaining, 207.824219 MB of memory in use. ENERGY: 3275600 719.0890 2049.4064 1963.9372 116.0010 -206160.5644 17945.3780 0.0000 0.0000 34186.8885 -149179.8644 298.5626 -183366.7529 -149080.1091 299.3408 100.2062 135.8192 558680.5423 -0.4237 -0.2940 PRESSURE: 3275800 146.926 6.97614 122.981 6.9759 58.6612 -39.8369 122.982 -39.8386 142.175 GPRESSURE: 3275800 188.604 12.7519 181.563 12.2197 116.495 -56.1426 55.9734 -49.2 156.773 PRESSAVG: 3275800 -56.3645 9.92231 -30.8971 9.92224 1.81225 31.3861 -30.8972 31.3861 49.2909 GPRESSAVG: 3275800 -56.0615 10.1541 -30.8426 8.61645 1.49282 31.3283 -31.2381 30.3019 48.9848 TIMING: 3275800 CPU: 9509.5, 0.00289606/step Wall: 9509.5, 0.00289606/step, 1.38705 hours remaining, 207.824219 MB of memory in use. ENERGY: 3275800 718.4636 2091.8905 1975.3765 120.4762 -206446.2309 18049.2439 0.0000 0.0000 34431.3823 -149059.3980 300.6978 -183490.7803 -148962.2760 299.9098 115.9205 153.9571 557891.0298 -1.7538 -1.8613 PRESSURE: 3276000 196.832 -99.9173 -119.512 -99.9178 -6.08748 -13.3894 -119.511 -13.3898 -232.309 GPRESSURE: 3276000 196.781 -89.1849 -244.282 -179.84 83.5209 -36.9281 -55.5393 -91.0235 -215.952 PRESSAVG: 3276000 -16.6732 -12.2832 -7.44545 -12.2832 19.5698 3.73647 -7.44547 3.73652 -2.90377 GPRESSAVG: 3276000 -16.1826 -12.2538 -7.28388 -12.1338 20.2145 5.64448 -7.22488 4.48577 -4.10054 TIMING: 3276000 CPU: 9510.08, 0.00290763/step Wall: 9510.08, 0.00290763/step, 1.39243 hours remaining, 207.824219 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: 3276000 749.4286 2145.7679 1959.4442 103.7674 -206149.3651 17794.4390 0.0000 0.0000 34237.0827 -149159.4353 299.0010 -183396.5180 -149060.9872 299.4659 -13.8548 21.4501 558308.2983 -0.0024 -0.0229 PRESSURE: 3276200 4.72336 57.8668 -14.8674 57.8663 -18.2525 -100.379 -14.8673 -100.38 -40.961 GPRESSURE: 3276200 -6.79687 72.5645 -59.3379 50.9252 48.3638 -163.29 -1.8833 -88.6338 3.85561 PRESSAVG: 3276200 9.45775 -20.405 -40.0485 -20.405 6.00156 -39.4827 -40.0485 -39.4827 11.1408 GPRESSAVG: 3276200 7.94403 -22.277 -38.4507 -18.1898 5.35418 -38.9491 -41.0131 -40.8776 13.339 TIMING: 3276200 CPU: 9510.66, 0.00290153/step Wall: 9510.66, 0.00290153/step, 1.38935 hours remaining, 207.824219 MB of memory in use. ENERGY: 3276200 758.7611 2084.3859 1939.3779 107.6263 -206194.7112 17795.8086 0.0000 0.0000 34444.1266 -149064.6248 300.8091 -183508.7514 -148961.4158 299.2699 -18.1634 15.1408 557532.9271 8.8667 8.8791 LDB: ============= START OF LOAD BALANCING ============== 9514.13 LDB: ============== END OF LOAD BALANCING =============== 9514.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9514.13 LDB: ============= START OF LOAD BALANCING ============== 9514.42 LDB: Largest compute 4820 load 0.028292 is 24.0% of average load 0.117807 LDB: Average compute 0.001704 is 1.4% of average load 0.117807 LDB: TIME 9514.42 LOAD: AVG 0.117807 MAX 0.177169 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.148 MB LDB: TIME 9514.42 LOAD: AVG 0.117807 MAX 0.177169 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: TIME 9514.42 LOAD: AVG 0.117807 MAX 0.177169 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9514.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9514.43 PRESSURE: 3276400 -24.3132 -80.0645 98.8801 -80.0658 -70.4697 -96.4705 98.8803 -96.4709 -238.951 GPRESSURE: 3276400 23.319 -129.805 96.0198 16.1397 -50.2513 -142.376 55.0679 -105.583 -202.962 PRESSAVG: 3276400 23.5945 -3.65044 37.1657 -3.65046 36.617 -66.7585 37.1658 -66.7585 -62.6809 GPRESSAVG: 3276400 24.3186 -3.28734 35.5507 -4.06392 36.2462 -69.5975 38.9129 -66.4013 -63.2132 TIMING: 3276400 CPU: 9511.25, 0.00296426/step Wall: 9511.25, 0.00296426/step, 1.41922 hours remaining, 205.949219 MB of memory in use. ENERGY: 3276400 731.0501 2100.2711 1947.0226 109.2470 -205695.3668 17563.6965 0.0000 0.0000 34449.3360 -148794.7436 300.8546 -183244.0796 -148702.5068 299.7629 -111.2446 -76.6316 558660.5565 -0.8231 -0.8828 PRESSURE: 3276600 135.442 -6.23248 6.56237 -6.23358 11.8312 -171.258 6.56243 -171.26 137.586 GPRESSURE: 3276600 113.732 -38.5929 3.00042 -11.1236 94.4873 -86.1137 55.1772 -146.056 168.563 PRESSAVG: 3276600 -13.1852 -17.8641 32.8014 -17.8641 133.662 -18.5033 32.8013 -18.5033 -75.1761 GPRESSAVG: 3276600 -11.9088 -17.452 32.3484 -18.6961 133.488 -17.8928 32.2 -18.3138 -76.6321 TIMING: 3276600 CPU: 9511.83, 0.00289655/step Wall: 9511.83, 0.00289655/step, 1.38664 hours remaining, 205.949219 MB of memory in use. ENERGY: 3276600 758.8963 2135.3480 1956.4308 107.0037 -206165.1204 17979.9714 0.0000 0.0000 34290.1845 -148937.2857 299.4647 -183227.4702 -148836.0693 300.6894 94.9532 125.5940 557411.2308 15.1004 14.9824 PRESSURE: 3276800 108.767 -23.2136 -177.636 -23.2144 87.5389 -108.499 -177.636 -108.501 119.297 GPRESSURE: 3276800 116.297 -44.1797 -169.89 -23.3959 121.177 -128.084 -99.9268 -8.83766 172.572 PRESSAVG: 3276800 -23.3956 -26.4458 5.45458 -26.4459 52.6337 -6.47491 5.45474 -6.47492 -74.3904 GPRESSAVG: 3276800 -23.9138 -26.7983 7.86486 -27.4754 51.5939 -6.31722 3.69479 -5.53188 -72.8272 TIMING: 3276800 CPU: 9512.41, 0.00290241/step Wall: 9512.41, 0.00290241/step, 1.38929 hours remaining, 205.949219 MB of memory in use. ENERGY: 3276800 763.6009 2124.6292 1968.9545 112.5774 -206005.5340 17707.0307 0.0000 0.0000 34419.5530 -148909.1885 300.5945 -183328.7414 -148816.0570 300.4631 105.2012 136.6820 556612.2150 -15.0508 -15.0490 PRESSURE: 3277000 -160.921 -139.901 20.6059 -139.901 -183.574 -41.3843 20.6054 -41.385 -147.405 GPRESSURE: 3277000 -138.195 -37.5808 75.0082 -117.81 -193.209 27.5223 -32.701 -26.6921 -66.8412 PRESSAVG: 3277000 39.8252 -38.3116 48.2138 -38.3115 -14.7265 7.06073 48.2139 7.0606 17.0651 GPRESSAVG: 3277000 39.9452 -36.1069 46.1694 -38.3783 -13.7679 6.36599 47.4123 6.72224 15.1171 TIMING: 3277000 CPU: 9512.99, 0.00288013/step Wall: 9512.99, 0.00288013/step, 1.37846 hours remaining, 205.949219 MB of memory in use. ENERGY: 3277000 777.1051 2147.7437 1946.3551 119.2830 -205751.5040 17474.9632 0.0000 0.0000 34459.2793 -148826.7746 300.9415 -183286.0539 -148737.9693 300.6608 -163.9665 -132.7484 556751.1350 14.0546 13.7648 PRESSURE: 3277200 -231.719 -131.467 221.344 -131.467 -14.1757 -10.8776 221.343 -10.8763 -292.288 GPRESSURE: 3277200 -227.297 -56.0335 206.974 -225.468 17.8197 41.3366 136.595 -41.777 -239.483 PRESSAVG: 3277200 -33.2439 -5.27776 66.0701 -5.27772 47.2334 -0.374063 66.07 -0.373998 27.5495 GPRESSAVG: 3277200 -33.7427 -7.13602 66.6218 -3.9444 47.5544 2.59726 67.8185 -2.6438 27.6976 TIMING: 3277200 CPU: 9513.57, 0.00292199/step Wall: 9513.57, 0.00292199/step, 1.39834 hours remaining, 205.949219 MB of memory in use. ENERGY: 3277200 790.2590 2083.5240 1968.8926 124.6264 -205890.4340 17657.3532 0.0000 0.0000 34299.8930 -148965.8859 299.5495 -183265.7789 -148870.4753 300.6186 -179.3944 -149.6535 557497.1300 13.8463 13.8364 PRESSURE: 3277400 -71.192 -182.426 -87.3641 -182.427 -109.743 -26.2757 -87.3644 -26.2758 -34.6461 GPRESSURE: 3277400 -0.875601 -202.502 -33.3269 -148.489 -183.772 -77.8952 38.0197 37.5867 67.2881 PRESSAVG: 3277400 12.9699 -71.7269 21.8816 -71.7269 12.6927 23.7162 21.8816 23.7162 -27.2728 GPRESSAVG: 3277400 12.5321 -71.3545 21.8921 -73.1183 12.732 21.9538 23.6482 24.8925 -26.7995 TIMING: 3277400 CPU: 9514.15, 0.00291103/step Wall: 9514.15, 0.00291103/step, 1.39293 hours remaining, 205.949219 MB of memory in use. ENERGY: 3277400 808.5762 2102.2173 1971.4174 105.5708 -206154.0830 17863.3214 0.0000 0.0000 34359.3633 -148943.6166 300.0689 -183302.9799 -148852.0421 299.4610 -71.8602 -39.1200 557063.5267 -0.5367 -0.5118 PRESSURE: 3277600 -256.236 31.5156 -18.9057 31.5148 -392.768 21.1437 -18.9055 21.1433 -194.929 GPRESSURE: 3277600 -197.438 43.6957 21.575 -12.4628 -341.815 -51.1201 -108.042 85.3875 -199.603 PRESSAVG: 3277600 71.6469 -57.2 56.4655 -57.2 -48.5601 19.6231 56.4654 19.6231 -0.746638 GPRESSAVG: 3277600 72.5389 -58.5887 56.9548 -55.3221 -49.6751 18.834 52.6671 20.0979 -0.553654 TIMING: 3277600 CPU: 9514.73, 0.0028892/step Wall: 9514.73, 0.0028892/step, 1.38232 hours remaining, 205.949219 MB of memory in use. ENERGY: 3277600 739.8056 2098.3964 1951.4269 101.7561 -205554.9898 17548.9258 0.0000 0.0000 34243.5641 -148871.1150 299.0576 -183114.6791 -148775.0273 299.3465 -281.3108 -246.2854 559773.7866 7.4467 7.4367 PRESSURE: 3277800 -100.388 40.5564 -72.6204 40.556 -428.054 64.6298 -72.6209 64.6296 -257.514 GPRESSURE: 3277800 -102.713 13.1174 -47.6562 -37.4496 -370.504 100.443 -78.0692 114.131 -216.009 PRESSAVG: 3277800 -122.984 12.0466 22.5954 12.0466 19.5676 34.7437 22.5953 34.7438 75.9566 GPRESSAVG: 3277800 -123.472 13.4441 21.396 10.1855 20.6869 34.7828 24.1873 37.0412 74.9603 TIMING: 3277800 CPU: 9515.31, 0.00289251/step Wall: 9515.31, 0.00289251/step, 1.38374 hours remaining, 205.949219 MB of memory in use. ENERGY: 3277800 749.9642 2142.3462 1944.7383 106.9478 -205513.1937 17391.3580 0.0000 0.0000 34441.0732 -148736.7660 300.7825 -183177.8391 -148644.9710 300.1646 -261.9855 -229.7418 558810.9223 -9.1532 -9.2749 PRESSURE: 3278000 -164.501 -42.5393 21.2981 -42.5378 184.771 31.3694 21.2992 31.3703 -96.68 GPRESSURE: 3278000 -137.79 -153.674 53.4815 36.0577 165.131 99.6523 -25.2646 -13.8758 -7.76802 PRESSAVG: 3278000 37.7362 10.2654 -12.1173 10.2656 -28.2796 66.9062 -12.1174 66.9061 2.80282 GPRESSAVG: 3278000 37.1566 8.07693 -10.7258 9.82057 -28.4633 66.2114 -13.4573 66.5393 3.42397 TIMING: 3278000 CPU: 9515.89, 0.0029035/step Wall: 9515.89, 0.0029035/step, 1.38884 hours remaining, 205.949219 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: 3278000 743.3146 2067.0249 1977.0897 107.3991 -206122.7290 17829.5350 0.0000 0.0000 34455.3942 -148942.9714 300.9075 -183398.3657 -148847.2533 300.1229 -25.4700 6.5241 557859.1149 4.0865 4.0391 PRESSURE: 3278200 7.89238 -139.515 5.76717 -139.515 348.924 -78.0272 5.76661 -78.0276 -42.2258 GPRESSURE: 3278200 21.1415 -83.132 -24.8181 -130.538 398.796 -90.9269 91.7003 -93.4161 -10.0919 PRESSAVG: 3278200 26.1113 -45.7421 -22.3698 -45.7422 8.73863 0.716589 -22.3698 0.716569 -27.3264 GPRESSAVG: 3278200 27.0348 -44.8608 -24.5587 -45.3134 8.36709 1.90805 -21.5243 -1.78549 -27.6674 TIMING: 3278200 CPU: 9516.47, 0.00290257/step Wall: 9516.47, 0.00290257/step, 1.38823 hours remaining, 205.949219 MB of memory in use. ENERGY: 3278200 738.6127 2112.0512 1952.2649 119.9473 -205970.6663 17895.7151 0.0000 0.0000 34151.4527 -149000.6224 298.2531 -183152.0752 -148899.6017 299.5606 104.8637 136.6153 558929.6217 2.5079 2.5782 PRESSURE: 3278400 105.195 179.387 -5.47538 179.386 -3.53091 26.55 -5.47582 26.5496 63.4756 GPRESSURE: 3278400 169.142 179.456 -70.7858 145.927 15.3296 69.8106 10.3686 -52.1674 79.9521 PRESSAVG: 3278400 40.6233 -6.29727 -17.4847 -6.29727 17.828 -27.3075 -17.4846 -27.3074 -65.2403 GPRESSAVG: 3278400 37.7929 -5.16568 -15.4126 -5.16865 19.3108 -25.8097 -18.1138 -27.0897 -64.0067 TIMING: 3278400 CPU: 9517.05, 0.00288471/step Wall: 9517.05, 0.00288471/step, 1.37953 hours remaining, 205.949219 MB of memory in use. ENERGY: 3278400 755.2696 2103.6020 1959.3985 103.9531 -206275.5111 17929.9013 0.0000 0.0000 34419.5333 -149003.8532 300.5943 -183423.3865 -148909.7650 299.6440 55.0464 88.1414 557642.4836 -2.2630 -2.3010 PRESSURE: 3278600 -298.059 -110.876 -36.2081 -110.876 -217.688 95.5844 -36.2077 95.5855 -246.653 GPRESSURE: 3278600 -238.857 -56.6389 -21.8044 -150.92 -197.112 51.6642 -65.6504 130.4 -228.12 PRESSAVG: 3278600 71.3902 27.337 32.7092 27.337 34.1016 -9.38237 32.7092 -9.38228 -104.539 GPRESSAVG: 3278600 72.7026 25.9337 30.9307 28.282 32.7037 -10.5833 37.3713 -7.97037 -104.027 TIMING: 3278600 CPU: 9517.63, 0.00289094/step Wall: 9517.63, 0.00289094/step, 1.38235 hours remaining, 205.949219 MB of memory in use. ENERGY: 3278600 818.8429 2047.2084 1957.7561 111.2884 -205725.6452 17514.9475 0.0000 0.0000 34243.9362 -149031.6657 299.0608 -183275.6019 -148941.0663 299.6271 -254.1334 -221.3630 556958.8536 0.3176 0.4597 PRESSURE: 3278800 -29.9916 -114.286 -196.545 -114.286 64.9755 117.987 -196.545 117.988 -30.9837 GPRESSURE: 3278800 9.86418 -128.688 -199.597 -77.3428 87.1501 62.9202 -186.245 186.423 1.55485 PRESSAVG: 3278800 -14.6429 -8.10717 36.0062 -8.10714 128.492 34.6493 36.0063 34.6494 -22.0345 GPRESSAVG: 3278800 -13.9174 -7.76919 36.0613 -8.31831 129.026 35.5176 32.6249 33.8246 -23.6609 TIMING: 3278800 CPU: 9518.2, 0.00287034/step Wall: 9518.2, 0.00287034/step, 1.37234 hours remaining, 205.949219 MB of memory in use. ENERGY: 3278800 763.9211 2118.1818 1943.4452 131.4580 -206274.9058 17880.4929 0.0000 0.0000 34265.2847 -149172.1220 299.2473 -183437.4067 -149079.7443 299.6261 1.3334 32.8564 558160.7360 30.6049 30.4824 PRESSURE: 3279000 61.4184 -111.476 -13.3212 -111.475 -199.034 -37.8156 -13.3206 -37.815 62.1449 GPRESSURE: 3279000 103.941 -89.0067 17.619 -120.927 -206.485 -15.8225 74.2377 -50.1771 116.033 PRESSAVG: 3279000 -10.5722 -11.6425 14.0082 -11.6424 48.126 -2.69279 14.0082 -2.69268 -70.8401 GPRESSAVG: 3279000 -10.2207 -10.3602 14.6426 -12.2818 46.8881 -3.77917 15.2022 -3.49364 -70.2787 TIMING: 3279000 CPU: 9518.78, 0.00287154/step Wall: 9518.78, 0.00287154/step, 1.37276 hours remaining, 205.949219 MB of memory in use. ENERGY: 3279000 757.9744 2114.5376 1963.1107 111.1978 -206219.7108 17879.2041 0.0000 0.0000 34151.8925 -149241.7937 298.2570 -183393.6862 -149149.7289 299.0185 -25.1570 4.4965 556174.0933 -11.0954 -11.2038 PRESSURE: 3279200 -232.066 45.8024 -10.9075 45.8021 163.164 -62.1027 -10.9083 -62.1018 37.7788 GPRESSURE: 3279200 -172.969 19.3755 -28.119 91.4645 198.657 -42.1648 -55.4764 -57.0076 43.9005 PRESSAVG: 3279200 -74.947 -2.56899 -11.7777 -2.56908 -6.01726 9.60978 -11.7777 9.60976 65.2737 GPRESSAVG: 3279200 -75.797 -4.73047 -13.9324 -1.35621 -3.80233 9.42877 -10.4854 12.6887 64.2168 TIMING: 3279200 CPU: 9519.35, 0.00286623/step Wall: 9519.35, 0.00286623/step, 1.37006 hours remaining, 205.949219 MB of memory in use. ENERGY: 3279200 725.4737 2163.5016 1947.6604 102.3118 -206365.9505 17844.3790 0.0000 0.0000 34311.8097 -149270.8143 299.6536 -183582.6240 -149184.7152 298.8884 -10.3742 23.1960 557208.1599 -5.2302 -5.1275 PRESSURE: 3279400 72.2393 -44.339 -60.0043 -44.3398 345.649 -228.139 -60.0035 -228.138 71.5269 GPRESSURE: 3279400 141.595 -51.0599 -47.6224 -64.8223 325.496 -210.467 -57.6291 -167.612 118.58 PRESSAVG: 3279400 -45.577 11.519 6.51426 11.5189 75.7528 -27.1739 6.51429 -27.1738 -23.7996 GPRESSAVG: 3279400 -45.9712 13.7363 8.04794 9.69611 76.1432 -28.8545 4.51193 -28.3002 -23.2906 TIMING: 3279400 CPU: 9519.93, 0.0028997/step Wall: 9519.93, 0.0028997/step, 1.3859 hours remaining, 205.949219 MB of memory in use. ENERGY: 3279400 775.2559 2063.0357 1971.6092 114.0154 -206633.6409 18045.6594 0.0000 0.0000 34301.2785 -149362.7866 299.5616 -183664.0652 -149261.9014 299.3585 163.1385 195.2237 555738.1589 2.1254 2.2938 PRESSURE: 3279600 -123.271 123.735 80.3632 123.734 -106.705 -18.6455 80.3637 -18.6455 -5.36104 GPRESSURE: 3279600 -76.9101 141.206 78.1146 128.198 -102.759 0.787298 104.738 -26.9182 31.9012 PRESSAVG: 3279600 36.9756 -23.4623 44.9208 -23.4624 -28.2356 -77.975 44.9208 -77.9751 18.6495 GPRESSAVG: 3279600 37.52 -21.2963 45.8955 -24.1423 -29.688 -76.9436 45.2979 -79.3235 19.4608 TIMING: 3279600 CPU: 9520.51, 0.00289963/step Wall: 9520.51, 0.00289963/step, 1.3857 hours remaining, 205.949219 MB of memory in use. ENERGY: 3279600 733.7522 2106.9700 1969.0159 111.9579 -206301.3827 17799.6712 0.0000 0.0000 34286.2535 -149293.7621 299.4304 -183580.0156 -149191.1098 299.1208 -78.4456 -49.2559 556678.3768 9.1298 9.0976 PRESSURE: 3279800 -42.2343 22.3436 -77.548 22.3437 -179.353 -84.7808 -77.5482 -84.7826 75.5002 GPRESSURE: 3279800 -56.6047 28.697 -73.9944 32.0029 -169.93 -170.333 -120.69 -66.6141 165.997 PRESSAVG: 3279800 38.2102 63.5132 48.8218 63.5132 -57.9601 -22.5113 48.8218 -22.5115 36.7727 GPRESSAVG: 3279800 36.5419 62.121 48.0821 61.7231 -57.1913 -21.7435 50.9355 -21.5983 37.7545 TIMING: 3279800 CPU: 9521.09, 0.00290457/step Wall: 9521.09, 0.00290457/step, 1.3879 hours remaining, 205.949219 MB of memory in use. ENERGY: 3279800 754.1222 2110.6211 1940.7072 107.6668 -205999.2742 17809.5523 0.0000 0.0000 34038.0971 -149238.5076 297.2632 -183276.6047 -149142.4862 299.4026 -48.6957 -20.1793 557707.3130 5.6742 5.7017 PRESSURE: 3280000 -14.3766 -106.202 -96.3868 -106.203 -22.6764 -90.1748 -96.3867 -90.1766 -150.546 GPRESSURE: 3280000 21.5909 -82.8176 -81.0337 -163.986 27.6204 -46.9596 -56.2531 -80.1041 -137.102 PRESSAVG: 3280000 24.3437 -29.848 44.9775 -29.848 51.0813 -9.51977 44.9774 -9.51974 -70.0733 GPRESSAVG: 3280000 24.9255 -31.3114 46.9546 -27.8842 50.5004 -9.10406 40.9395 -10.9571 -70.159 TIMING: 3280000 CPU: 9521.67, 0.00290015/step Wall: 9521.67, 0.00290015/step, 1.38563 hours remaining, 205.949219 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: 3280000 776.4951 2074.5010 1935.6493 114.4944 -206313.6466 17960.0894 0.0000 0.0000 34426.4112 -149026.0062 300.6544 -183452.4174 -148925.9201 299.4008 -62.5329 -29.2968 558345.5052 1.7839 1.7556 PRESSURE: 3280200 -145.958 -166.14 198.851 -166.139 -49.4201 32.0328 198.851 32.034 -201.133 GPRESSURE: 3280200 -90.1217 -171.19 223.488 -202.555 0.939566 57.0711 101.607 45.2754 -211.349 PRESSAVG: 3280200 9.37853 -35.3616 -26.6454 -35.3617 -3.67357 18.7053 -26.6453 18.7053 -23.2741 GPRESSAVG: 3280200 9.59022 -34.4267 -27.2879 -34.0142 -2.88124 19.2354 -25.8114 20.2923 -24.6497 TIMING: 3280200 CPU: 9522.25, 0.00287915/step Wall: 9522.25, 0.00287915/step, 1.37543 hours remaining, 205.949219 MB of memory in use. ENERGY: 3280200 736.4719 2071.5200 1954.9113 111.6782 -205732.5535 17450.6728 0.0000 0.0000 34256.7431 -149150.5562 299.1727 -183407.2993 -149053.4625 299.6538 -132.1705 -100.1772 559555.7965 -5.8564 -5.9802 LDB: ============= START OF LOAD BALANCING ============== 9525.71 LDB: ============== END OF LOAD BALANCING =============== 9525.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9525.71 LDB: ============= START OF LOAD BALANCING ============== 9526 LDB: Largest compute 4848 load 0.028933 is 24.6% of average load 0.117803 LDB: Average compute 0.001707 is 1.4% of average load 0.117803 LDB: TIME 9526 LOAD: AVG 0.117803 MAX 0.178748 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.988 MB LDB: TIME 9526 LOAD: AVG 0.117803 MAX 0.178748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: TIME 9526 LOAD: AVG 0.117803 MAX 0.178748 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.191 MB LDB: ============== END OF LOAD BALANCING =============== 9526.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 9526.01 Info: useSync: 0 useProxySync: 0 PRESSURE: 3280400 141.138 7.13788 -249.809 7.13801 325.783 -22.0181 -249.809 -22.0179 171.757 GPRESSURE: 3280400 147.274 123.608 -229.826 -87.1358 360.381 11.5471 -263.395 -36.9126 232.398 PRESSAVG: 3280400 11.1273 32.9669 -27.2652 32.9668 48.5644 -13.841 -27.2652 -13.8411 -28.7282 GPRESSAVG: 3280400 11.5454 30.592 -28.9866 33.0491 47.5383 -15.1077 -29.4473 -15.3771 -27.6355 TIMING: 3280400 CPU: 9522.84, 0.00295062/step Wall: 9522.84, 0.00295062/step, 1.40941 hours remaining, 205.421875 MB of memory in use. ENERGY: 3280400 747.5066 2095.7928 1963.6047 106.9032 -206673.7388 18219.7274 0.0000 0.0000 34234.1449 -149306.0592 298.9753 -183540.2041 -149214.4714 299.1682 212.8928 246.6841 556500.6155 10.3212 10.4827 PRESSURE: 3280600 -352.986 185.227 16.5391 185.226 -35.6285 78.0014 16.5397 78.003 -111.285 GPRESSURE: 3280600 -301.732 145.768 -20.897 200.03 -16.756 35.5059 34.1205 133.807 -92.2415 PRESSAVG: 3280600 -23.5746 78.4816 -23.3305 78.4817 20.496 21.2397 -23.3305 21.2397 -18.7027 GPRESSAVG: 3280600 -23.9811 78.3738 -21.974 78.6596 19.7962 21.3654 -22.1844 23.3583 -17.8712 TIMING: 3280600 CPU: 9523.42, 0.00290517/step Wall: 9523.42, 0.00290517/step, 1.38754 hours remaining, 205.625000 MB of memory in use. ENERGY: 3280600 755.1091 2016.7759 1953.1593 110.6361 -206131.1818 17637.9710 0.0000 0.0000 34300.6439 -149356.8866 299.5561 -183657.5305 -149264.7726 299.0481 -166.6333 -136.9098 557208.7332 -7.2604 -7.3520 PRESSURE: 3280800 -179.122 75.0466 -43.975 75.0453 -220.467 -110.798 -43.975 -110.799 -61.4841 GPRESSURE: 3280800 -154.384 37.7594 58.0089 72.4384 -200.53 -107.885 33.244 -48.5893 -12.9503 PRESSAVG: 3280800 -44.8404 4.46362 -31.7527 4.46356 9.23724 20.5477 -31.7528 20.5478 4.44418 GPRESSAVG: 3280800 -44.865 6.1034 -32.6916 4.78727 10.8067 19.2373 -29.7155 19.0867 3.04521 TIMING: 3280800 CPU: 9524, 0.00289456/step Wall: 9524, 0.00289457/step, 1.38232 hours remaining, 205.625000 MB of memory in use. ENERGY: 3280800 752.3709 2074.7973 1963.4958 101.3880 -206132.1778 17675.1362 0.0000 0.0000 34108.3474 -149456.6422 297.8767 -183564.9896 -149357.7464 298.4450 -153.6910 -122.6215 557415.3237 -10.3863 -10.3377 PRESSURE: 3281000 240.513 118.305 -31.8499 118.305 -41.7233 134.194 -31.8506 134.196 126.089 GPRESSURE: 3281000 287.525 124.639 3.95091 49.8072 -17.012 82.4377 -112.521 106.564 149.703 PRESSAVG: 3281000 86.8561 48.3987 -16.6024 48.3988 19.4684 -12.4805 -16.6024 -12.4806 -95.5915 GPRESSAVG: 3281000 86.1455 48.3178 -17.8598 47.4334 19.85 -11.011 -16.4592 -12.0096 -95.4095 TIMING: 3281000 CPU: 9524.57, 0.0028906/step Wall: 9524.57, 0.0028906/step, 1.38026 hours remaining, 205.625000 MB of memory in use. ENERGY: 3281000 748.0044 2061.0660 1962.6732 110.5588 -206361.4158 17922.0511 0.0000 0.0000 34141.8847 -149415.1775 298.1696 -183557.0622 -149322.3443 297.9061 108.2929 140.0718 556126.7643 3.5777 3.5287 PRESSURE: 3281200 339.304 101.373 154.88 101.374 -1.45401 135.335 154.88 135.336 98.6428 GPRESSURE: 3281200 369.555 91.9241 57.9453 98.286 35.4026 185.435 174.939 128.995 127.907 PRESSAVG: 3281200 52.7242 87.0374 -37.1419 87.0373 -5.98289 26.1203 -37.142 26.1203 -78.6106 GPRESSAVG: 3281200 53.1131 84.4188 -36.1606 89.0033 -6.39121 26.175 -35.8551 26.1269 -78.6474 TIMING: 3281200 CPU: 9525.15, 0.00289645/step Wall: 9525.15, 0.00289645/step, 1.38289 hours remaining, 205.882812 MB of memory in use. ENERGY: 3281200 760.1569 2082.4322 1945.8456 103.8459 -206602.1661 18083.7623 0.0000 0.0000 34252.8397 -149373.2835 299.1386 -183626.1232 -149284.3552 298.6652 145.4977 177.6218 556352.1059 -10.6231 -10.6418 PRESSURE: 3281400 252.01 110.134 47.6847 110.135 177.338 -74.0144 47.6839 -74.0137 210.956 GPRESSURE: 3281400 277.898 155.112 17.827 7.22983 202.456 -93.9715 -71.6274 -113.278 254.872 PRESSAVG: 3281400 55.3675 -12.1072 -0.19254 -12.1071 -23.3028 -6.25988 -0.192529 -6.25985 -21.7741 GPRESSAVG: 3281400 55.7161 -10.5876 0.642783 -14.3085 -24.6128 -6.589 -1.83676 -6.83294 -21.672 TIMING: 3281400 CPU: 9525.74, 0.00291316/step Wall: 9525.74, 0.00291316/step, 1.39071 hours remaining, 205.882812 MB of memory in use. ENERGY: 3281400 718.2129 2066.1477 1987.3384 123.1686 -206386.7649 18027.6777 0.0000 0.0000 34239.7078 -149224.5118 299.0239 -183464.2196 -149137.4693 299.0231 213.4346 245.0753 556444.2371 3.4302 3.1438 PRESSURE: 3281600 138.29 -20.8467 136.358 -20.8455 -217.276 58.0009 136.359 58.0009 204.522 GPRESSURE: 3281600 149.145 -33.2898 108.132 -4.40417 -189.342 30.4645 164.106 51.039 264.218 PRESSAVG: 3281600 -34.4469 -5.65107 17.9639 -5.65108 17.0155 20.8839 17.9638 20.8839 -2.31823 GPRESSAVG: 3281600 -35.6787 -4.29086 16.4328 -5.19639 18.5776 22.0595 18.9713 20.7698 -2.6118 TIMING: 3281600 CPU: 9526.32, 0.00290458/step Wall: 9526.32, 0.00290458/step, 1.38645 hours remaining, 205.882812 MB of memory in use. ENERGY: 3281600 728.2322 2082.8444 1963.2653 106.9658 -206228.5526 17910.4856 0.0000 0.0000 34191.6301 -149245.1293 298.6040 -183436.7594 -149154.0652 298.8002 41.8453 74.6734 557644.0965 -6.5832 -6.5710 PRESSURE: 3281800 157.036 -78.9454 173.664 -78.9454 39.389 -20.568 173.665 -20.5677 -142.238 GPRESSURE: 3281800 167.186 -53.1662 198.657 -21.8981 150.643 -42.767 75.32 -23.6288 -160.721 PRESSAVG: 3281800 11.5668 9.04368 -0.997755 9.04369 -11.8654 20.8995 -0.997715 20.8995 25.8364 GPRESSAVG: 3281800 12.529 5.71335 -1.03793 11.8908 -12.3404 19.0702 -1.60132 21.5211 25.4934 TIMING: 3281800 CPU: 9526.9, 0.00289634/step Wall: 9526.9, 0.00289634/step, 1.38236 hours remaining, 205.882812 MB of memory in use. ENERGY: 3281800 751.0699 2067.1518 1947.8456 114.7286 -206373.3207 18074.6276 0.0000 0.0000 34188.6074 -149229.2899 298.5776 -183417.8973 -149125.7236 299.2513 18.0624 52.3694 558376.3984 8.5126 8.5606 PRESSURE: 3282000 46.804 -34.1285 52.4658 -34.1297 -78.1911 40.7814 52.4652 40.7799 85.3255 GPRESSURE: 3282000 67.9086 -60.5873 35.4892 40.1726 20.2147 10.4749 67.5064 66.6265 73.5683 PRESSAVG: 3282000 47.6804 46.817 -15.6228 46.817 47.5891 53.6051 -15.6227 53.6051 -82.8007 GPRESSAVG: 3282000 47.53 47.122 -15.9517 45.3053 47.5188 55.5704 -14.0282 51.6277 -82.2212 TIMING: 3282000 CPU: 9527.47, 0.00289533/step Wall: 9527.47, 0.00289533/step, 1.38172 hours remaining, 205.882812 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: 3282000 731.7235 2071.4647 1941.5552 110.3684 -205828.2151 17765.2925 0.0000 0.0000 33960.0492 -149247.7616 296.5816 -183207.8109 -149148.9075 298.6880 17.9795 53.8972 557345.5067 4.1563 4.2759 PRESSURE: 3282200 -177.758 42.6047 -42.5996 42.6036 -42.6279 18.8345 -42.6 18.8341 -279.047 GPRESSURE: 3282200 -153.405 30.1304 -9.28073 91.6966 3.91746 45.6991 -62.6258 57.7445 -255.031 PRESSAVG: 3282200 -41.9544 41.4054 16.2584 41.4054 40.9742 -63.4938 16.2584 -63.4938 16.0953 GPRESSAVG: 3282200 -41.4019 42.1584 17.1337 39.8044 40.8672 -64.8768 14.6633 -63.1971 15.3179 TIMING: 3282200 CPU: 9528.05, 0.00289939/step Wall: 9528.05, 0.0028994/step, 1.38349 hours remaining, 205.882812 MB of memory in use. ENERGY: 3282200 774.4809 2071.6134 1927.1173 104.5227 -205901.6468 17649.0048 0.0000 0.0000 33992.3188 -149382.5888 296.8634 -183374.9076 -149294.8227 298.1288 -166.4776 -134.8394 558614.0907 5.0384 4.9277 PRESSURE: 3282400 -185.589 -67.9078 146.393 -67.9086 17.1113 -95.0577 146.393 -95.0573 252.292 GPRESSURE: 3282400 -143.57 -102.638 16.0284 -52.6081 -0.998153 -128.416 108.003 -89.8745 319.982 PRESSAVG: 3282400 -24.2907 -13.8572 5.55548 -13.8573 40.724 -25.3564 5.55549 -25.3564 27.485 GPRESSAVG: 3282400 -23.4337 -14.0401 4.47307 -13.6814 40.6116 -24.6168 6.18714 -23.3818 26.6728 TIMING: 3282400 CPU: 9528.63, 0.00289113/step Wall: 9528.63, 0.00289113/step, 1.37939 hours remaining, 205.882812 MB of memory in use. ENERGY: 3282400 728.2541 2079.2542 1942.6058 115.4057 -206342.5365 17915.6952 0.0000 0.0000 33934.1605 -149627.1608 296.3555 -183561.3214 -149528.8782 298.1564 27.9382 58.4712 557403.0748 14.6394 14.6169 PRESSURE: 3282600 174.39 -3.45732 -145.619 -3.4589 -10.5225 25.4682 -145.618 25.468 -299.56 GPRESSURE: 3282600 91.795 -39.2488 -110.584 74.1677 90.7027 -17.4706 -102.432 27.8747 -220.097 PRESSAVG: 3282600 19.9927 -40.2355 13.4734 -40.2355 -10.0642 -3.71745 13.4734 -3.71751 3.31677 GPRESSAVG: 3282600 18.9852 -40.5608 15.1026 -38.9483 -10.6173 -2.39008 12.4725 -3.91067 5.26491 TIMING: 3282600 CPU: 9529.21, 0.00287908/step Wall: 9529.21, 0.00287908/step, 1.37348 hours remaining, 205.882812 MB of memory in use. ENERGY: 3282600 747.2055 2016.2932 1949.1944 102.3547 -206055.8558 17732.0279 0.0000 0.0000 33931.0692 -149577.7109 296.3285 -183508.7801 -149484.8108 297.8729 -45.2308 -12.5332 558382.2971 4.4151 4.5443 PRESSURE: 3282800 76.7125 27.0198 67.8818 27.0188 47.9964 -242.802 67.8814 -242.803 -66.4016 GPRESSURE: 3282800 167.364 44.9768 114.13 70.8067 77.6432 -255.926 63.1529 -214.155 -93.411 PRESSAVG: 3282800 38.5198 1.02819 -2.7431 1.02823 3.49307 -21.2659 -2.74304 -21.2661 5.49832 GPRESSAVG: 3282800 38.5668 1.47421 -4.09083 -0.984837 4.06814 -22.143 -3.6096 -20.8278 4.66231 TIMING: 3282800 CPU: 9529.78, 0.00288219/step Wall: 9529.78, 0.00288219/step, 1.3748 hours remaining, 205.882812 MB of memory in use. ENERGY: 3282800 673.5453 2088.1475 1961.4355 98.6458 -206234.5346 17753.0670 0.0000 0.0000 33968.6160 -149691.0775 296.6564 -183659.6936 -149604.8100 298.2518 19.4358 50.5320 557870.7335 15.8371 15.7657 PRESSURE: 3283000 -248.93 84.2688 90.9648 84.2687 -287.328 40.5913 90.9648 40.593 -253.64 GPRESSURE: 3283000 -246.195 129.096 143.043 30.499 -276.395 58.3694 59.2143 59.1925 -179.216 PRESSAVG: 3283000 -6.90132 19.3233 27.7254 19.3232 80.1948 -31.4312 27.7255 -31.4312 -103.666 GPRESSAVG: 3283000 -8.31357 18.8852 29.1282 21.7632 79.8156 -30.7847 29.3208 -33.5074 -101.962 TIMING: 3283000 CPU: 9530.36, 0.00288374/step Wall: 9530.36, 0.00288374/step, 1.37538 hours remaining, 205.882812 MB of memory in use. ENERGY: 3283000 750.9974 2006.9260 1932.1386 100.6939 -206677.3720 17862.3576 0.0000 0.0000 34280.3152 -149743.9434 299.3785 -184024.2586 -149656.7314 298.1544 -263.2994 -233.9351 557378.8080 -10.1242 -10.1532 PRESSURE: 3283200 -43.6152 13.6254 50.7173 13.6259 -296.705 177.995 50.7182 177.995 -137.24 GPRESSURE: 3283200 115.649 -56.7727 63.3693 68.8895 -370.205 228.302 38.2154 202.788 -124.706 PRESSAVG: 3283200 87.7643 -21.1759 -18.6703 -21.1759 -44.3277 22.1153 -18.6702 22.1153 -35.9704 GPRESSAVG: 3283200 87.9534 -19.2525 -20.2875 -23.1991 -44.4477 19.3907 -18.2085 25.1558 -36.0388 TIMING: 3283200 CPU: 9530.94, 0.00290732/step Wall: 9530.94, 0.00290731/step, 1.38647 hours remaining, 205.882812 MB of memory in use. ENERGY: 3283200 740.5322 2015.2044 1936.3678 104.8875 -206308.4937 17765.3478 0.0000 0.0000 34145.2562 -149600.8978 298.1990 -183746.1539 -149496.7388 298.2087 -159.1867 -126.4209 559101.2504 2.4888 2.4890 PRESSURE: 3283400 55.9032 -95.7916 72.567 -95.7919 -116.487 -37.3351 72.5682 -37.3362 -117.799 GPRESSURE: 3283400 -1.13859 -84.2917 155.744 -39.5601 -27.1213 27.1683 13.9148 -126.068 -47.9442 PRESSAVG: 3283400 60.7648 -36.0006 27.1777 -36.0007 15.3642 50.7376 27.1778 50.7376 -73.0716 GPRESSAVG: 3283400 59.7223 -34.8391 27.5687 -34.9285 16.8792 52.0054 26.7984 49.5671 -73.3896 TIMING: 3283400 CPU: 9531.52, 0.00288891/step Wall: 9531.52, 0.00288891/step, 1.37753 hours remaining, 205.882812 MB of memory in use. ENERGY: 3283400 720.2737 2058.9292 1959.8648 112.8267 -206482.3734 17932.5932 0.0000 0.0000 34143.7947 -149554.0911 298.1863 -183697.8858 -149454.5763 298.9592 -59.4610 -25.4014 558562.2147 1.0191 1.0706 PRESSURE: 3283600 -72.3937 -7.0145 68.4172 -7.01464 -61.9723 -32.9617 68.4166 -32.9628 -144.508 GPRESSURE: 3283600 -29.801 13.0575 -20.1674 12.9912 13.832 -65.0248 85.4012 -38.6084 -168.766 PRESSAVG: 3283600 -27.9693 -37.575 -9.12153 -37.5751 8.51844 -24.7779 -9.12139 -24.778 39.3967 GPRESSAVG: 3283600 -26.8021 -38.4044 -9.69332 -37.274 8.01787 -21.9038 -8.08056 -26.589 38.8373 TIMING: 3283600 CPU: 9532.1, 0.00291303/step Wall: 9532.1, 0.00291303/step, 1.38887 hours remaining, 205.882812 MB of memory in use. ENERGY: 3283600 768.9469 2102.4957 1956.6378 107.7603 -206272.7294 17788.8661 0.0000 0.0000 33878.6192 -149669.4034 295.8704 -183548.0226 -149579.5912 297.6204 -92.9581 -61.5784 556599.5024 6.6486 6.6843 PRESSURE: 3283800 166.222 83.2248 40.6224 83.2247 6.58122 -149.408 40.6204 -149.407 -0.653663 GPRESSURE: 3283800 186.421 153.101 44.9485 126.393 24.1741 -137.505 77.3993 -115.16 65.3139 PRESSAVG: 3283800 -40.8948 37.2656 -14.5779 37.2657 60.4767 28.0868 -14.5779 28.0868 -12.5467 GPRESSAVG: 3283800 -41.4236 37.1764 -12.1724 36.3588 59.6256 25.044 -16.2963 28.3826 -11.1253 TIMING: 3283800 CPU: 9532.68, 0.0028987/step Wall: 9532.68, 0.0028987/step, 1.38187 hours remaining, 205.882812 MB of memory in use. ENERGY: 3283800 732.7976 2065.4643 1956.9344 108.0319 -206488.8267 18010.1613 0.0000 0.0000 34121.4563 -149493.9809 297.9912 -183615.4372 -149396.8265 297.8948 57.3831 91.9696 559146.5159 2.3450 2.3589 PRESSURE: 3284000 -55.3327 -96.3717 77.5501 -96.3722 49.5188 80.0393 77.5499 80.0397 126.358 GPRESSURE: 3284000 5.97537 -150.972 65.6761 -92.5705 73.2411 89.7669 34.4709 8.56973 135.156 PRESSAVG: 3284000 1.73805 -8.70197 -24.2877 -8.70196 14.9339 -8.29458 -24.2877 -8.29461 -9.33931 GPRESSAVG: 3284000 1.19595 -10.0008 -25.7424 -8.78138 15.1322 -8.86682 -24.5014 -7.01292 -9.21844 TIMING: 3284000 CPU: 9533.27, 0.00291851/step Wall: 9533.27, 0.00291851/step, 1.39116 hours remaining, 205.882812 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: 3284000 720.3508 2044.9313 1973.2857 107.3478 -206640.0841 17933.2868 0.0000 0.0000 34321.2356 -149539.6460 299.7359 -183860.8816 -149444.0300 297.5817 40.1813 71.4574 557521.1163 2.4442 2.3699 PRESSURE: 3284200 70.6266 209.883 30.908 209.883 257.543 80.2266 30.9079 80.227 184.834 GPRESSURE: 3284200 76.2315 147.8 168.559 174.617 321.381 108.003 -32.5735 78.2515 193.833 PRESSAVG: 3284200 -70.6206 -25.4862 41.3588 -25.4861 49.7618 -49.7524 41.3588 -49.7526 27.5753 GPRESSAVG: 3284200 -70.8577 -23.9039 43.6606 -27.1647 50.7811 -48.591 39.979 -50.2314 26.4153 TIMING: 3284200 CPU: 9533.85, 0.00290306/step Wall: 9533.85, 0.00290306/step, 1.38363 hours remaining, 205.882812 MB of memory in use. ENERGY: 3284200 742.9516 2057.7409 1966.0162 96.0066 -206541.3736 18089.9814 0.0000 0.0000 34172.0949 -149416.5822 298.4334 -183588.6771 -149320.9392 298.6459 171.0010 197.1484 557029.7246 2.2388 2.1129 LDB: ============= START OF LOAD BALANCING ============== 9537.31 LDB: ============== END OF LOAD BALANCING =============== 9537.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9537.31 LDB: ============= START OF LOAD BALANCING ============== 9537.6 LDB: Largest compute 4820 load 0.027630 is 23.5% of average load 0.117805 LDB: Average compute 0.001710 is 1.5% of average load 0.117805 LDB: TIME 9537.61 LOAD: AVG 0.117805 MAX 0.180088 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.203 MB LDB: TIME 9537.61 LOAD: AVG 0.117805 MAX 0.180088 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.305 MB LDB: TIME 9537.61 LOAD: AVG 0.117805 MAX 0.180088 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.305 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9537.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9537.61 PRESSURE: 3284400 33.4509 106.455 17.364 106.456 -154.631 78.2548 17.3636 78.2546 109.409 GPRESSURE: 3284400 55.3189 95.574 -9.41183 93.7204 -159.675 133.811 39.4468 41.5419 190 PRESSAVG: 3284400 5.41041 -7.94671 1.1771 -7.94675 -13.5894 16.236 1.1771 16.2359 -2.64113 GPRESSAVG: 3284400 5.79012 -10.7499 -1.55118 -4.85995 -15.6903 15.4369 3.74513 17.5725 -1.33249 TIMING: 3284400 CPU: 9534.44, 0.00295653/step Wall: 9534.44, 0.00295653/step, 1.40895 hours remaining, 205.121094 MB of memory in use. ENERGY: 3284400 745.8841 2105.7431 1948.5832 116.5576 -206335.7218 17827.7031 0.0000 0.0000 34271.4191 -149319.8317 299.3008 -183591.2508 -149221.1379 299.2486 -3.9238 28.5480 557502.9732 -3.6067 -3.7442 PRESSURE: 3284600 -142.549 -16.3671 -32.5262 -16.3666 329.351 32.383 -32.5258 32.3822 106.417 GPRESSURE: 3284600 -91.3738 13.4088 -31.076 -33.2556 351.771 -4.02038 18.1239 58.077 138.535 PRESSAVG: 3284600 19.765 63.6677 6.26686 63.6677 -68.0014 -47.1856 6.2668 -47.1855 21.9679 GPRESSAVG: 3284600 20.0499 63.4069 7.11279 62.1153 -66.6558 -45.4817 5.58625 -48.8932 20.4631 TIMING: 3284600 CPU: 9535.02, 0.00289046/step Wall: 9535.02, 0.00289046/step, 1.3773 hours remaining, 205.121094 MB of memory in use. ENERGY: 3284600 737.0645 2071.9364 1985.9611 112.7198 -206690.2051 18115.2849 0.0000 0.0000 34421.4217 -149245.8167 300.6108 -183667.2384 -149153.7328 299.1245 97.7396 132.9774 557869.7992 -8.7561 -8.7143 PRESSURE: 3284800 66.5672 198.53 -121.963 198.529 121.259 -164.971 -121.964 -164.971 -15.9328 GPRESSURE: 3284800 99.4168 162.332 -77.3186 220.563 141.249 -123.839 -142.513 -254.524 13.9581 PRESSAVG: 3284800 2.76891 -9.15536 32.9477 -9.15541 33.9759 -42.7384 32.9478 -42.7384 -9.07832 GPRESSAVG: 3284800 2.93594 -8.16398 30.5295 -9.50644 34.0352 -43.4745 33.1602 -42.0803 -9.27239 TIMING: 3284800 CPU: 9535.59, 0.00287202/step Wall: 9535.59, 0.00287202/step, 1.36836 hours remaining, 205.121094 MB of memory in use. ENERGY: 3284800 750.4605 2073.4473 1977.1804 117.8522 -206464.4258 18133.1348 0.0000 0.0000 34147.0926 -149265.2580 298.2151 -183412.3507 -149165.9856 298.9099 57.2979 84.8748 557841.4260 9.2222 9.2329 PRESSURE: 3285000 -167.281 -32.4836 -4.01924 -32.4836 6.73487 73.2588 -4.01858 73.2585 68.0301 GPRESSURE: 3285000 -120.552 -28.305 -5.70764 -71.6265 10.2046 53.7135 -3.52795 166.692 102.365 PRESSAVG: 3285000 4.55585 38.9406 33.4755 38.9407 59.2699 51.1206 33.4755 51.1206 -72.52 GPRESSAVG: 3285000 4.15115 41.1284 36.0024 36.124 58.5697 48.9731 33.9464 51.3991 -71.8291 TIMING: 3285000 CPU: 9536.17, 0.00287233/step Wall: 9536.17, 0.00287233/step, 1.36834 hours remaining, 205.121094 MB of memory in use. ENERGY: 3285000 736.2132 2089.4828 1935.1426 115.1959 -206114.1285 17900.8038 0.0000 0.0000 34092.0507 -149245.2394 297.7344 -183337.2902 -149152.2145 299.1558 -30.8386 -2.6605 559018.1702 -2.8981 -3.0361 PRESSURE: 3285200 343.249 1.8514 86.8499 1.8519 -181.465 226.666 86.8495 226.664 -28.4549 GPRESSURE: 3285200 276.827 69.5305 61.9336 4.31865 -68.5363 212.386 70.3138 279.79 31.2698 PRESSAVG: 3285200 6.54185 -7.73479 28.0925 -7.73475 54.2826 37.9405 28.0925 37.9405 -33.3425 GPRESSAVG: 3285200 5.4815 -9.06026 27.6822 -4.40516 55.0641 38.5484 28.6554 37.5346 -32.6817 TIMING: 3285200 CPU: 9536.74, 0.00288283/step Wall: 9536.74, 0.00288283/step, 1.37319 hours remaining, 205.121094 MB of memory in use. ENERGY: 3285200 726.7954 2080.5328 1964.2640 105.1541 -206523.4452 18055.7104 0.0000 0.0000 34422.0163 -149168.9722 300.6160 -183590.9885 -149072.3281 299.4568 44.4430 79.8534 559110.0801 9.1607 9.2880 PRESSURE: 3285400 -153.019 -90.4121 -134.951 -90.4109 114.915 -36.1861 -134.951 -36.1872 -221.971 GPRESSURE: 3285400 -141.942 -185.37 -118.819 -28.271 163.734 -17.549 -150.618 -53.2402 -191.311 PRESSAVG: 3285400 40.6198 -5.04064 -10.7176 -5.04066 -14.5019 23.2703 -10.7175 23.2703 -11.6808 GPRESSAVG: 3285400 42.01 -5.89255 -10.4021 -5.47709 -14.7539 23.2828 -10.2842 24.1802 -12.4529 TIMING: 3285400 CPU: 9537.32, 0.00290007/step Wall: 9537.32, 0.00290007/step, 1.38124 hours remaining, 205.121094 MB of memory in use. ENERGY: 3285400 730.5654 2094.0230 1949.1243 103.5297 -206301.1282 17787.9396 0.0000 0.0000 34311.8178 -149324.1285 299.6536 -183635.9463 -149232.6144 298.9279 -86.6915 -56.5062 558017.3646 4.8123 4.9344 PRESSURE: 3285600 -220.417 4.63187 -74.2691 4.63247 -126.226 57.0014 -74.269 57.0012 -174.936 GPRESSURE: 3285600 -226.662 -5.70712 -122.875 -48.813 -107.137 -50.0173 -88.8218 54.3432 -96.4019 PRESSAVG: 3285600 10.3071 -19.7878 -9.18031 -19.7878 -24.5014 -37.9044 -9.1803 -37.9043 34.1898 GPRESSAVG: 3285600 10.0645 -21.7556 -8.62205 -20.3974 -24.5835 -38.3641 -10.2512 -38.7888 33.8846 TIMING: 3285600 CPU: 9537.9, 0.0028934/step Wall: 9537.9, 0.0028934/step, 1.3779 hours remaining, 205.121094 MB of memory in use. ENERGY: 3285600 748.9303 2078.6913 1963.6891 108.5945 -206088.2671 17539.3404 0.0000 0.0000 34286.0164 -149363.0050 299.4283 -183649.0214 -149263.7147 299.7553 -173.8599 -143.4003 556465.2655 6.6651 6.4552 PRESSURE: 3285800 126.031 113.483 -109.194 113.484 0.57632 -51.2389 -109.194 -51.24 491.919 GPRESSURE: 3285800 201.114 44.6194 -94.4017 76.2169 -53.7454 -161.71 -86.1472 10.9383 569.534 PRESSAVG: 3285800 40.6011 -0.497217 -28.2567 -0.497348 -83.6621 -13.9749 -28.2566 -13.975 67.1719 GPRESSAVG: 3285800 41.871 0.364408 -29.1515 1.78614 -85.4034 -11.6937 -27.2543 -14.478 67.3743 TIMING: 3285800 CPU: 9538.48, 0.00290282/step Wall: 9538.48, 0.00290282/step, 1.38222 hours remaining, 205.121094 MB of memory in use. ENERGY: 3285800 714.5737 2063.9804 1947.6558 102.2482 -206691.6592 17941.1912 0.0000 0.0000 34441.7471 -149480.2629 300.7883 -183922.0100 -149384.7275 298.9142 206.1755 238.9675 554381.8614 8.0369 7.9473 PRESSURE: 3286000 -219.164 1.32829 -70.289 1.32999 129.043 -205.545 -70.2888 -205.543 -145.302 GPRESSURE: 3286000 -191.868 11.6825 -50.8406 -45.2257 140.527 -113.557 -165.248 -200.838 -98.6053 PRESSAVG: 3286000 -30.5935 -39.8714 -31.0267 -39.8714 38.5894 -55.2393 -31.0268 -55.2392 41.9251 GPRESSAVG: 3286000 -32.0248 -37.273 -29.6906 -42.0056 38.8411 -57.4933 -34.2484 -54.7688 43.1111 TIMING: 3286000 CPU: 9539.06, 0.00289183/step Wall: 9539.06, 0.00289183/step, 1.37683 hours remaining, 205.324219 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: 3286000 741.1366 2049.5689 1947.2991 107.8732 -206297.4972 17662.7334 0.0000 0.0000 34261.8132 -149527.0729 299.2169 -183788.8861 -149430.6671 298.2310 -78.4743 -49.9821 556802.6148 16.6403 16.6425 PRESSURE: 3286200 153.68 26.2733 47.4898 26.2737 51.975 56.0152 47.4898 56.0139 154.08 GPRESSURE: 3286200 185.894 12.6706 -4.511 25.0679 113.628 77.4045 21.3117 32.8648 150.734 PRESSAVG: 3286200 0.0568644 40.7666 -25.6196 40.7666 3.56581 4.08673 -25.6196 4.08668 -15.5655 GPRESSAVG: 3286200 1.12712 42.1307 -27.197 41.105 4.10254 6.57821 -22.0916 4.46662 -17.7163 TIMING: 3286200 CPU: 9539.64, 0.002909/step Wall: 9539.64, 0.002909/step, 1.38485 hours remaining, 205.324219 MB of memory in use. ENERGY: 3286200 771.9205 2034.9666 1980.5957 107.1444 -206757.1055 18211.7628 0.0000 0.0000 34188.0952 -149462.6203 298.5731 -183650.7155 -149363.0536 298.0753 119.9117 150.0853 557404.4518 -3.9809 -4.1622 PRESSURE: 3286400 -250.827 112.924 -306.177 112.923 -203.014 -43.0476 -306.176 -43.0483 -402.162 GPRESSURE: 3286400 -180.725 159.367 -216.307 123.266 -241.521 -10.7367 -309.877 -64.9153 -338.518 PRESSAVG: 3286400 9.27325 20.9395 -2.21133 20.9394 -43.6044 -15.026 -2.21135 -15.026 27.5363 GPRESSAVG: 3286400 9.5123 19.826 -2.19753 18.1623 -43.0594 -15.5799 -2.76387 -15.7307 27.1493 TIMING: 3286400 CPU: 9540.23, 0.00292181/step Wall: 9540.23, 0.00292181/step, 1.39078 hours remaining, 205.324219 MB of memory in use. ENERGY: 3286400 756.5325 2044.1952 1954.6072 116.1985 -205809.4323 17488.3907 0.0000 0.0000 33982.4336 -149467.0746 296.7770 -183449.5082 -149370.5078 297.8701 -285.3342 -253.5882 558459.7044 -2.2649 -2.1326 PRESSURE: 3286600 -113.043 50.6198 -0.761608 50.6207 -146.837 67.4713 -0.762623 67.4725 -103.938 GPRESSURE: 3286600 -130.177 25.8174 -56.7508 51.2783 -62.7022 86.2228 31.1302 95.3816 -63.148 PRESSAVG: 3286600 48.3499 26.5225 -11.1392 26.5225 -36.815 21.1857 -11.1392 21.1857 -34.4524 GPRESSAVG: 3286600 46.439 26.1701 -10.532 29.3567 -36.5198 19.7633 -13.0459 22.1163 -32.8428 TIMING: 3286600 CPU: 9540.81, 0.00289573/step Wall: 9540.81, 0.00289573/step, 1.3782 hours remaining, 205.324219 MB of memory in use. ENERGY: 3286600 684.6716 2033.5161 1954.3878 106.7132 -205885.3424 17404.9315 0.0000 0.0000 34273.3897 -149427.7325 299.3180 -183701.1222 -149332.2345 298.0651 -121.2729 -85.3425 556460.6088 -7.6392 -7.6412 PRESSURE: 3286800 -126.98 -167.212 -26.4327 -167.212 -62.7838 4.33949 -26.4331 4.33836 30.5259 GPRESSURE: 3286800 -45.6978 -151.362 69.4929 -134.634 -76.2708 -51.0702 -88.9897 83.6664 79.4215 PRESSAVG: 3286800 -22.7521 6.44086 46.9125 6.4409 0.130629 32.3933 46.9126 32.3931 18.3661 GPRESSAVG: 3286800 -21.3221 7.26497 48.3836 7.09337 -0.842712 35.021 45.0502 30.6097 17.9639 TIMING: 3286800 CPU: 9541.39, 0.00291836/step Wall: 9541.39, 0.00291836/step, 1.38882 hours remaining, 205.324219 MB of memory in use. ENERGY: 3286800 779.4087 2049.4902 1956.5814 114.3656 -206350.6656 17783.1847 0.0000 0.0000 34209.8740 -149457.7610 298.7633 -183667.6350 -149356.5735 298.3803 -53.0793 -14.1824 557293.4767 -1.4185 -1.4003 PRESSURE: 3287000 -109.478 84.7828 -3.84251 84.7823 159.699 -231.054 -3.84181 -231.054 -44.0017 GPRESSURE: 3287000 -119.291 149.583 -64.232 11.4391 219.157 -205.164 -13.199 -219.453 -7.13332 PRESSAVG: 3287000 12.5096 18.0861 43.3513 18.086 58.7329 -34.1735 43.3513 -34.1735 -51.7601 GPRESSAVG: 3287000 11.529 16.2266 39.8213 17.42 59.1294 -38.0727 44.7287 -32.8191 -51.7782 TIMING: 3287000 CPU: 9541.97, 0.00290955/step Wall: 9541.97, 0.00290955/step, 1.38446 hours remaining, 205.324219 MB of memory in use. ENERGY: 3287000 697.9905 2100.8461 1947.0429 102.9347 -206193.3122 17889.1640 0.0000 0.0000 34062.4398 -149392.8943 297.4758 -183455.3341 -149300.5099 298.5659 2.0731 30.9109 558148.1032 6.4941 6.2934 PRESSURE: 3287200 98.9731 -46.1889 11.167 -46.1894 -95.4921 36.4154 11.1662 36.4154 -158.306 GPRESSURE: 3287200 38.1066 -102.131 97.9339 -81.3341 -17.109 48.8878 -47.8008 69.3647 -85.6361 PRESSAVG: 3287200 -28.062 -7.55066 5.28331 -7.55066 6.06892 -42.8182 5.28329 -42.8182 -0.734161 GPRESSAVG: 3287200 -29.2473 -6.52244 6.03097 -8.31091 5.4775 -40.5391 7.47 -42.6695 1.37257 TIMING: 3287200 CPU: 9542.55, 0.00290637/step Wall: 9542.55, 0.00290637/step, 1.38279 hours remaining, 205.324219 MB of memory in use. ENERGY: 3287200 736.0257 2033.4486 1972.4541 115.9859 -206111.6996 17813.8137 0.0000 0.0000 34103.9026 -149336.0689 297.8379 -183439.9715 -149239.4693 299.6613 -51.6084 -21.5462 558816.0945 -7.5757 -7.4657 PRESSURE: 3287400 95.0013 198.923 -0.677586 198.922 -515.031 -112.111 -0.677239 -112.11 -202.028 GPRESSURE: 3287400 134.322 269.061 27.3299 242.872 -428.057 -161.621 -97.9347 -175.557 -229.97 PRESSAVG: 3287400 7.82969 10.7327 52.291 10.7327 3.23805 25.0568 52.2908 25.0568 -9.50464 GPRESSAVG: 3287400 8.51824 9.94244 54.3258 11.2054 3.87109 24.6803 49.6686 24.1141 -11.0829 TIMING: 3287400 CPU: 9543.13, 0.00291169/step Wall: 9543.13, 0.00291169/step, 1.38515 hours remaining, 205.324219 MB of memory in use. ENERGY: 3287400 801.6917 2051.2222 1971.9015 107.4757 -206248.6667 17837.4945 0.0000 0.0000 34197.0918 -149281.7892 298.6517 -183478.8810 -149183.9441 299.1709 -207.3523 -174.5686 557737.1081 0.5210 0.4355 PRESSURE: 3287600 91.1993 292.289 -50.3392 292.29 -72.6723 -99.8789 -50.3401 -99.8781 -105.752 GPRESSURE: 3287600 86.9545 283.856 -8.2883 240.324 -40.6334 -49.1761 -67.6047 -115.309 -31.5301 PRESSAVG: 3287600 23.7323 9.19624 -31.6698 9.19625 -57.3735 32.3216 -31.6698 32.3216 6.59311 GPRESSAVG: 3287600 24.6256 10.5782 -32.2801 10.4092 -57.4998 31.1442 -29.8897 33.5919 6.00297 TIMING: 3287600 CPU: 9543.72, 0.0029222/step Wall: 9543.72, 0.0029222/step, 1.38999 hours remaining, 205.324219 MB of memory in use. ENERGY: 3287600 779.2058 2094.3637 1967.5476 109.5051 -206435.5560 17865.5714 0.0000 0.0000 34171.8360 -149447.5263 298.4311 -183619.3623 -149348.7550 299.5126 -29.0750 4.9303 558430.5432 -9.0160 -8.9571 PRESSURE: 3287800 167.214 99.9052 77.2916 99.9056 17.5002 26.8961 77.2904 26.8962 -95.9365 GPRESSURE: 3287800 188.708 -11.531 87.2826 105.154 18.1228 30.815 48.4832 -37.8497 -16.3019 PRESSAVG: 3287800 44.1414 63.9838 -44.0831 63.9839 23.9888 -6.59591 -44.0831 -6.59591 -8.13165 GPRESSAVG: 3287800 44.7867 62.711 -45.4817 65.6254 23.3213 -4.81675 -43.1249 -8.11046 -7.30193 TIMING: 3287800 CPU: 9544.3, 0.0028914/step Wall: 9544.3, 0.0028914/step, 1.37518 hours remaining, 205.324219 MB of memory in use. ENERGY: 3287800 757.7694 2093.5625 2000.7973 111.2645 -206480.6513 17858.7872 0.0000 0.0000 34117.2065 -149541.2639 297.9540 -183658.4704 -149443.3076 298.7466 29.5927 63.5097 556919.2432 19.9995 20.2687 PRESSURE: 3288000 -136.255 47.378 286.526 47.3765 43.4837 -104.391 286.527 -104.39 -390.991 GPRESSURE: 3288000 -66.9683 60.1524 240.338 84.3759 35.971 -77.7114 254.57 -104.107 -368.324 PRESSAVG: 3288000 7.75178 46.5776 68.5847 46.5776 11.4798 -5.73293 68.5847 -5.73267 -27.7433 GPRESSAVG: 3288000 8.01038 46.6934 68.0957 46.5821 11.5711 -4.48186 67.9987 -6.39738 -28.5149 TIMING: 3288000 CPU: 9544.88, 0.00289555/step Wall: 9544.88, 0.00289555/step, 1.37699 hours remaining, 205.324219 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: 3288000 752.7618 2074.3896 1976.4459 124.9429 -206227.9168 17823.3880 0.0000 0.0000 34064.4581 -149411.5305 297.4934 -183475.9886 -149315.2177 298.0616 -161.2538 -133.1071 558881.1724 -2.8372 -2.9778 PRESSURE: 3288200 -137.846 16.6167 13.3015 16.616 -69.388 -6.60055 13.3009 -6.60054 60.2511 GPRESSURE: 3288200 -96.2152 -8.05611 38.946 -9.27908 -113.648 -12.2158 69.8782 29.3826 156.145 PRESSAVG: 3288200 1.2912 9.77088 35.8595 9.77083 -39.9225 -11.4969 35.8594 -11.4969 13.588 GPRESSAVG: 3288200 0.150838 11.6985 37.4198 7.55957 -39.8807 -13.4023 35.921 -11.398 15.4801 TIMING: 3288200 CPU: 9545.46, 0.00291195/step Wall: 9545.46, 0.00291195/step, 1.38463 hours remaining, 205.324219 MB of memory in use. ENERGY: 3288200 768.5579 2064.4349 1971.9726 109.9637 -206561.5268 17955.7009 0.0000 0.0000 34114.6568 -149576.2399 297.9318 -183690.8968 -149480.2510 298.4256 -48.9943 -17.9059 558557.6299 -8.3478 -8.0833 LDB: ============= START OF LOAD BALANCING ============== 9548.92 LDB: ============== END OF LOAD BALANCING =============== 9548.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9548.92 LDB: ============= START OF LOAD BALANCING ============== 9549.22 LDB: Largest compute 4820 load 0.027446 is 23.3% of average load 0.117783 LDB: Average compute 0.001713 is 1.5% of average load 0.117783 LDB: TIME 9549.22 LOAD: AVG 0.117783 MAX 0.179079 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.148 MB LDB: TIME 9549.22 LOAD: AVG 0.117783 MAX 0.179079 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: TIME 9549.22 LOAD: AVG 0.117783 MAX 0.179079 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9549.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9549.22 PRESSURE: 3288400 9.83871 -47.8271 63.4855 -47.8287 -111.227 -165.131 63.4852 -165.131 -138.769 GPRESSURE: 3288400 60.7397 -61.4957 90.232 8.44881 -113.652 -96.3871 -9.36167 -189.419 -93.4567 PRESSAVG: 3288400 -7.53193 -8.124 -11.149 -8.12397 -4.54549 -32.9437 -11.149 -32.9437 3.86541 GPRESSAVG: 3288400 -6.37125 -9.3227 -10.7425 -8.45718 -4.89062 -31.9643 -11.1121 -32.1622 3.10653 TIMING: 3288400 CPU: 9546.05, 0.00295199/step Wall: 9546.05, 0.00295199/step, 1.40351 hours remaining, 205.855469 MB of memory in use. ENERGY: 3288400 783.2225 2123.5499 1957.9526 111.2748 -206617.5232 17805.1942 0.0000 0.0000 34091.3486 -149744.9805 297.7282 -183836.3292 -149649.1364 297.5097 -80.0525 -48.7898 558566.0198 -2.7373 -2.7184 PRESSURE: 3288600 -131.716 -10.1986 209.031 -10.198 -126.621 94.0893 209.03 94.0886 138.862 GPRESSURE: 3288600 -120.511 28.3632 179.283 60.8966 -88.429 86.0139 239.761 58.6135 196.556 PRESSAVG: 3288600 -14.9099 -11.4935 -3.91498 -11.4935 -24.4248 -21.3872 -3.91506 -21.3872 14.1957 GPRESSAVG: 3288600 -15.8693 -12.4715 -5.02267 -9.34746 -23.0766 -23.5218 -4.26297 -21.6046 13.305 TIMING: 3288600 CPU: 9546.63, 0.00289985/step Wall: 9546.63, 0.00289985/step, 1.37856 hours remaining, 205.925781 MB of memory in use. ENERGY: 3288600 748.1912 2032.5019 1951.9136 110.5008 -206345.2837 17715.3975 0.0000 0.0000 34198.7162 -149588.0624 298.6659 -183786.7787 -149496.1730 298.0545 -39.8249 -4.1279 557037.9144 -8.3797 -8.5470 PRESSURE: 3288800 -28.4367 -154.035 136.64 -154.035 -102.461 -87.1269 136.64 -87.1265 32.6306 GPRESSURE: 3288800 -29.88 -133.552 40.901 -41.6618 -34.116 -82.3323 149.608 -40.5099 73.2809 PRESSAVG: 3288800 -35.9037 28.4342 -14.7393 28.4342 -16.8766 -13.1718 -14.7393 -13.1719 77.9377 GPRESSAVG: 3288800 -35.5317 28.8886 -13.3463 28.1878 -18.0317 -11.2921 -16.1266 -11.3294 78.6139 TIMING: 3288800 CPU: 9547.21, 0.00289392/step Wall: 9547.21, 0.00289392/step, 1.37558 hours remaining, 206.128906 MB of memory in use. ENERGY: 3288800 703.8272 2065.9942 1975.1161 107.1991 -206220.9096 17833.9862 0.0000 0.0000 33794.3569 -149740.4299 295.1345 -183534.7868 -149644.0753 297.6701 -32.7558 3.0950 557612.9983 8.3858 8.3502 PRESSURE: 3289000 -23.3561 -51.6617 -64.1178 -51.6628 -254.413 28.7227 -64.1183 28.7217 -2.70635 GPRESSURE: 3289000 9.47593 -158.193 -99.7958 13.6082 -174.957 73.3279 8.69443 58.6943 -11.6043 PRESSAVG: 3289000 2.0603 22.2967 -47.4045 22.2965 0.935411 44.208 -47.4045 44.208 10.7535 GPRESSAVG: 3289000 1.77009 20.8641 -49.0078 23.4848 2.09185 44.0153 -47.2758 44.3735 9.53237 TIMING: 3289000 CPU: 9547.79, 0.00290284/step Wall: 9547.79, 0.00290284/step, 1.37965 hours remaining, 206.128906 MB of memory in use. ENERGY: 3289000 737.5957 2110.2907 1966.8385 115.2212 -206668.1305 17934.6432 0.0000 0.0000 34073.1083 -149730.4329 297.5689 -183803.5412 -149640.0030 297.7164 -93.4917 -59.0286 557180.7025 4.5831 4.4648 PRESSURE: 3289200 35.509 55.3539 -152.822 55.3553 115.698 27.9865 -152.823 27.9868 22.1471 GPRESSURE: 3289200 68.4721 17.1867 -166.358 76.6762 152.083 3.31347 -159.359 51.258 34.6139 PRESSAVG: 3289200 -10.9521 20.3706 -65.8459 20.3706 -32.7291 0.137419 -65.846 0.13748 23.4925 GPRESSAVG: 3289200 -10.1907 21.331 -66.5663 19.4132 -34.0696 -1.00872 -62.8053 -2.11239 23.5212 TIMING: 3289200 CPU: 9548.37, 0.0028938/step Wall: 9548.37, 0.0028938/step, 1.3752 hours remaining, 206.128906 MB of memory in use. ENERGY: 3289200 733.7920 2053.4809 1956.2831 123.7399 -206381.0271 17844.6079 0.0000 0.0000 34029.2986 -149639.8247 297.1863 -183669.1233 -149547.6324 297.7908 57.7847 85.0562 556583.6560 -6.7296 -6.9130 PRESSURE: 3289400 199.258 -46.3733 -142.472 -46.3753 -94.9258 76.8703 -142.472 76.8684 196.99 GPRESSURE: 3289400 248.068 21.9412 -119.641 -79.7561 -82.3754 90.8423 -203.009 129.591 242.931 PRESSAVG: 3289400 73.7182 -12.9997 -39.7734 -12.9996 -129.121 -18.0634 -39.7733 -18.0634 45.9075 GPRESSAVG: 3289400 73.7006 -13.6131 -38.6281 -14.0149 -129.631 -17.0116 -42.7783 -18.11 46.3422 TIMING: 3289400 CPU: 9548.95, 0.00291327/step Wall: 9548.95, 0.00291327/step, 1.38429 hours remaining, 206.128906 MB of memory in use. ENERGY: 3289400 726.8596 2073.2770 1978.6618 108.3945 -206962.7117 18181.7537 0.0000 0.0000 34242.0700 -149651.6951 299.0445 -183893.7651 -149550.5416 297.8464 100.4407 136.2081 556524.7281 -3.1650 -3.1960 PRESSURE: 3289600 44.0005 -108.811 -98.0426 -108.812 -119.345 -79.6274 -98.0426 -79.6275 -329.28 GPRESSURE: 3289600 119.688 -118.229 -135.354 -77.6218 -102.956 -23.2179 -106.798 -63.4031 -332.431 PRESSAVG: 3289600 31.4158 12.8088 -9.01545 12.8088 -41.0248 10.3167 -9.01545 10.3168 12.8765 GPRESSAVG: 3289600 31.26 14.8995 -9.29994 13.5422 -42.2422 10.5011 -7.43019 12.5605 13.9954 TIMING: 3289600 CPU: 9549.53, 0.00292196/step Wall: 9549.53, 0.00292196/step, 1.38826 hours remaining, 206.128906 MB of memory in use. ENERGY: 3289600 713.3355 2120.0067 1982.0222 120.5871 -206374.2544 17571.4201 0.0000 0.0000 34249.0132 -149617.8695 299.1052 -183866.8827 -149523.3612 297.7564 -134.8747 -105.2334 558101.5012 1.0892 1.0044 PRESSURE: 3289800 25.6278 15.4649 -95.9202 15.4653 -2.25023 155.891 -95.9193 155.889 105.544 GPRESSURE: 3289800 10.9719 -3.72214 -140.084 16.0898 85.7312 154.65 -71.7028 185.961 132.556 PRESSAVG: 3289800 87.1231 -2.44083 3.98198 -2.44088 -47.1149 -1.53589 3.98201 -1.53601 -52.0244 GPRESSAVG: 3289800 87.5569 -2.58963 5.1689 -2.5215 -46.4639 -1.23918 2.47532 -2.79989 -53.0801 TIMING: 3289800 CPU: 9550.11, 0.00288781/step Wall: 9550.11, 0.00288781/step, 1.37187 hours remaining, 206.128906 MB of memory in use. ENERGY: 3289800 751.8866 2064.4806 1959.1916 116.9386 -206828.1806 18113.0725 0.0000 0.0000 34334.2247 -149488.3859 299.8493 -183822.6106 -149393.9038 298.8633 42.9740 76.4198 557034.5465 -4.0054 -3.9957 PRESSURE: 3290000 -83.7205 -117.787 55.4241 -117.786 209.711 -14.1896 55.4248 -14.1899 108.29 GPRESSURE: 3290000 -68.3169 -83.7845 99.2125 -93.5171 288.516 59.8382 20.3767 29.1403 104.921 PRESSAVG: 3290000 39.6736 -26.2619 -6.33749 -26.262 9.54057 0.186536 -6.33752 0.186505 21.7641 GPRESSAVG: 3290000 38.8738 -27.6229 -7.34171 -26.2042 9.95447 -0.100016 -4.37877 1.54506 22.0595 TIMING: 3290000 CPU: 9550.7, 0.00293327/step Wall: 9550.7, 0.00293327/step, 1.3933 hours remaining, 206.128906 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: 3290000 706.6641 2053.4832 1971.9285 110.2542 -206510.5180 17962.0804 0.0000 0.0000 34165.1968 -149540.9108 298.3732 -183706.1075 -149447.7407 299.0252 78.0935 108.3736 555846.7668 23.6594 23.6292 PRESSURE: 3290200 -376.083 -135.462 -45.7057 -135.462 -70.1975 68.6176 -45.7055 68.6174 -48.7339 GPRESSURE: 3290200 -340.908 -117.033 -70.0801 -168.817 -11.6681 80.6382 34.1232 11.7548 -41.2771 PRESSAVG: 3290200 -81.1234 8.23287 -48.9655 8.23277 89.8569 -21.1909 -48.9655 -21.1909 14.8379 GPRESSAVG: 3290200 -80.9437 7.99403 -49.3773 9.49015 89.7663 -19.1393 -50.765 -22.9141 14.8865 TIMING: 3290200 CPU: 9551.28, 0.0029068/step Wall: 9551.28, 0.0029068/step, 1.38057 hours remaining, 206.128906 MB of memory in use. ENERGY: 3290200 737.9057 2100.9231 1977.7336 111.3560 -206068.2403 17603.9597 0.0000 0.0000 34248.9161 -149287.4461 299.1043 -183536.3621 -149187.8572 298.9380 -165.0048 -131.2843 557311.6971 7.8572 7.9030 PRESSURE: 3290400 -121.274 -19.5025 -130.87 -19.5017 128.687 -21.2397 -130.871 -21.2407 -184.24 GPRESSURE: 3290400 -22.2685 32.3496 -225.762 -86.0854 142.459 11.6097 -100.895 -38.277 -196.66 PRESSAVG: 3290400 -41.7185 19.3572 -23.0811 19.3573 55.3734 -33.3834 -23.0811 -33.3834 -8.71172 GPRESSAVG: 3290400 -42.3218 19.6486 -23.1162 19.6511 55.3613 -34.301 -21.3309 -35.97 -8.44863 TIMING: 3290400 CPU: 9551.86, 0.00291408/step Wall: 9551.86, 0.00291408/step, 1.38386 hours remaining, 206.128906 MB of memory in use. ENERGY: 3290400 774.7444 2093.7292 1969.4881 106.1632 -206479.6702 17851.5491 0.0000 0.0000 34329.2435 -149354.7527 299.8058 -183683.9962 -149257.8195 298.9088 -58.9421 -25.4901 556156.5509 1.6477 1.5303 PRESSURE: 3290600 -259.859 30.1549 -39.2536 30.1536 137.375 -187.5 -39.2535 -187.5 -101.351 GPRESSURE: 3290600 -152.233 -46.0564 -92.432 158.491 126.317 -97.5988 -49.9571 -231.792 -93.9579 PRESSAVG: 3290600 -13.8503 -15.7988 -29.1736 -15.7988 31.873 -82.01 -29.1737 -82.0099 -22.8651 GPRESSAVG: 3290600 -13.675 -16.1 -27.5551 -17.3843 31.904 -82.1577 -30.4786 -79.1682 -22.9127 TIMING: 3290600 CPU: 9552.45, 0.00291699/step Wall: 9552.45, 0.00291699/step, 1.38509 hours remaining, 206.128906 MB of memory in use. ENERGY: 3290600 745.7936 2044.2130 1969.6306 98.1394 -205953.0178 17707.5488 0.0000 0.0000 34068.5884 -149319.1039 297.5295 -183387.6924 -149220.3727 299.0243 -74.6119 -39.9582 557867.6859 -1.6141 -1.5612 PRESSURE: 3290800 -130.476 15.0751 31.4934 15.0757 -151.68 43.6437 31.4935 43.6456 -89.446 GPRESSURE: 3290800 -76.681 79.7612 8.78672 36.2112 -107.145 -6.08476 9.04622 67.6969 -94.6448 PRESSAVG: 3290800 -6.42883 12.9216 -65.7071 12.9217 18.4148 -3.44253 -65.707 -3.44255 -3.20695 GPRESSAVG: 3290800 -5.80507 14.0115 -66.3793 12.126 17.836 -3.4623 -65.3433 -3.83933 -3.04297 TIMING: 3290800 CPU: 9553.04, 0.00294563/step Wall: 9553.04, 0.00294563/step, 1.39852 hours remaining, 206.128906 MB of memory in use. ENERGY: 3290800 746.7020 2081.8555 1962.2704 105.0570 -205919.5293 17454.6599 0.0000 0.0000 34377.8312 -149191.1533 300.2301 -183568.9845 -149087.2090 299.4407 -123.8674 -92.8237 558472.2198 2.9263 2.9960 PRESSURE: 3291000 -255.203 26.9901 -17.2543 26.9895 50.2818 16.9657 -17.255 16.9654 68.3611 GPRESSURE: 3291000 -206.02 119.154 18.6972 -14.6656 54.2219 74.0514 -37.0196 49.1134 105.309 PRESSAVG: 3291000 -33.2341 26.422 -55.0282 26.422 11.2071 28.9763 -55.0283 28.9763 44.6357 GPRESSAVG: 3291000 -33.0177 25.3421 -55.462 26.5526 10.8928 28.3789 -55.8027 28.4053 44.9638 TIMING: 3291000 CPU: 9553.62, 0.00291805/step Wall: 9553.62, 0.00291805/step, 1.38527 hours remaining, 206.128906 MB of memory in use. ENERGY: 3291000 805.7010 2036.3339 1976.7644 117.3493 -206286.0648 17931.8563 0.0000 0.0000 34148.1669 -149269.8929 298.2244 -183418.0598 -149169.7327 299.9785 -45.5202 -15.4964 557551.0101 7.5362 7.6130 PRESSURE: 3291200 -27.5576 98.9838 45.9501 98.9836 120.898 110.245 45.9496 110.245 74.0662 GPRESSURE: 3291200 -2.82917 74.8239 177.474 103.82 121.872 49.9548 126.505 167.066 148.104 PRESSAVG: 3291200 -17.4345 21.7802 15.1129 21.7802 15.0755 12.0204 15.1129 12.0204 -4.58084 GPRESSAVG: 3291200 -17.1837 20.3286 15.2957 23.9401 14.9778 12.1497 15.4042 10.6442 -5.01942 TIMING: 3291200 CPU: 9554.2, 0.00291391/step Wall: 9554.2, 0.00291391/step, 1.38313 hours remaining, 206.128906 MB of memory in use. ENERGY: 3291200 732.0037 2080.9416 1958.4055 94.9110 -206345.4006 17953.6306 0.0000 0.0000 34235.6643 -149289.8438 298.9886 -183525.5081 -149193.2243 299.1337 55.8022 89.0490 559088.2694 -2.3133 -2.4084 PRESSURE: 3291400 -257.212 52.6876 -5.26865 52.6865 -318.969 100.615 -5.2682 100.614 -105.765 GPRESSURE: 3291400 -247.685 12.6051 -1.48796 26.7756 -206.314 139.923 11.6368 96.5953 -128.986 PRESSAVG: 3291400 -36.0528 -34.7145 -10.8853 -34.7145 -16.2563 34.2631 -10.8854 34.2631 37.482 GPRESSAVG: 3291400 -36.3745 -36.1393 -11.1101 -34.5187 -15.4752 33.6032 -10.9482 36.0807 37.1439 TIMING: 3291400 CPU: 9554.79, 0.00292343/step Wall: 9554.79, 0.00292343/step, 1.38749 hours remaining, 206.128906 MB of memory in use. ENERGY: 3291400 686.4952 2136.2587 1963.8335 112.1954 -205812.6525 17409.9353 0.0000 0.0000 34095.8373 -149408.0971 297.7674 -183503.9345 -149318.2466 298.5672 -227.3155 -194.3282 558107.3274 -4.9424 -4.9019 PRESSURE: 3291600 -8.60578 -19.5688 -126.486 -19.5696 -132.428 -89.9072 -126.486 -89.907 -154.039 GPRESSURE: 3291600 -19.397 53.4494 -70.3835 23.4692 -85.085 -7.72128 -115.777 -147.238 -93.3891 PRESSAVG: 3291600 -12.6374 -17.0876 -18.4479 -17.0877 2.91719 31.7662 -18.4479 31.7662 5.74056 GPRESSAVG: 3291600 -13.1321 -12.3965 -16.4063 -18.5905 3.75162 33.1681 -17.9772 29.1263 5.85573 TIMING: 3291600 CPU: 9555.37, 0.00291238/step Wall: 9555.37, 0.00291238/step, 1.38209 hours remaining, 206.128906 MB of memory in use. ENERGY: 3291600 748.0213 2079.0191 1947.9176 117.3171 -206048.8067 17728.9889 0.0000 0.0000 33971.9417 -149455.6009 296.6854 -183427.5426 -149362.5658 298.0671 -98.3576 -65.9570 557957.8161 -1.3266 -1.1749 PRESSURE: 3291800 77.0102 27.7941 -81.8412 27.793 138.788 83.0227 -81.8424 83.0203 -212.025 GPRESSURE: 3291800 119.725 -31.6997 -41.8125 42.2379 180.151 69.4941 -80.1696 102.352 -216.8 PRESSAVG: 3291800 3.72094 16.5831 -42.1176 16.5832 -2.21573 -12.6391 -42.1176 -12.6392 13.5532 GPRESSAVG: 3291800 4.03354 14.8644 -44.5331 17.3617 -1.79812 -13.8356 -42.3287 -12.1631 12.5983 TIMING: 3291800 CPU: 9555.95, 0.00290029/step Wall: 9555.95, 0.00290029/step, 1.37619 hours remaining, 206.128906 MB of memory in use. ENERGY: 3291800 774.0509 2113.9538 1967.7426 106.7490 -206598.7493 18054.4608 0.0000 0.0000 34249.0178 -149332.7743 299.1052 -183581.7922 -149235.1247 299.1109 1.2579 27.6920 558894.9002 5.0195 4.9446 PRESSURE: 3292000 77.1293 97.1725 -50.0823 97.1727 -94.4721 8.07639 -50.0809 8.07627 -11.2005 GPRESSURE: 3292000 89.8403 80.8111 -63.8733 42.6669 -31.8641 11.9427 -12.942 9.4039 6.51173 PRESSAVG: 3292000 -36.9938 -11.0924 -16.6495 -11.0923 -13.7255 18.3193 -16.6494 18.3193 33.5815 GPRESSAVG: 3292000 -36.3875 -11.7495 -16.1474 -14.6114 -14.0088 18.9428 -15.559 19.1884 33.4165 TIMING: 3292000 CPU: 9556.53, 0.00291284/step Wall: 9556.53, 0.00291284/step, 1.38198 hours remaining, 206.128906 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: 3292000 749.8914 2091.6537 1959.3027 117.8020 -206140.7703 17886.4497 0.0000 0.0000 34239.8775 -149095.7934 299.0254 -183335.6708 -148998.8228 299.3569 -9.5144 21.4960 558871.4940 -5.7126 -5.6599 PRESSURE: 3292200 61.8483 -154.704 105.132 -154.704 31.4238 103.84 105.133 103.841 53.7969 GPRESSURE: 3292200 29.6589 -138.129 51.0705 -107.349 101.8 107.452 116.883 33.6973 103.321 PRESSAVG: 3292200 21.3858 -6.99948 42.3514 -6.99945 -36.7243 -4.00904 42.3514 -4.00897 58.5542 GPRESSAVG: 3292200 20.1834 -4.96969 41.7771 -5.03696 -36.622 -4.37112 41.1267 -4.03616 59.5882 TIMING: 3292200 CPU: 9557.11, 0.00289085/step Wall: 9557.11, 0.00289086/step, 1.37139 hours remaining, 206.128906 MB of memory in use. ENERGY: 3292200 699.0125 2140.4175 1953.6342 118.2327 -206286.3981 17804.1271 0.0000 0.0000 34353.2628 -149217.7113 300.0156 -183570.9741 -149121.2995 299.2764 49.0230 78.2597 558399.8519 14.4052 14.3832 LDB: ============= START OF LOAD BALANCING ============== 9560.57 LDB: ============== END OF LOAD BALANCING =============== 9560.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9560.58 LDB: ============= START OF LOAD BALANCING ============== 9560.87 LDB: Largest compute 4820 load 0.027872 is 23.7% of average load 0.117750 LDB: Average compute 0.001711 is 1.5% of average load 0.117750 LDB: TIME 9560.87 LOAD: AVG 0.11775 MAX 0.17964 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.141 MB LDB: TIME 9560.87 LOAD: AVG 0.11775 MAX 0.17964 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.145 MB LDB: TIME 9560.87 LOAD: AVG 0.11775 MAX 0.17964 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.145 MB LDB: ============== END OF LOAD BALANCING =============== 9560.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9560.87 PRESSURE: 3292400 147.88 -2.91896 26.3056 -2.91962 227.226 163.703 26.3045 163.703 179.994 GPRESSURE: 3292400 138.947 28.4196 103.558 17.5688 263.902 173.309 62.0142 210.978 237.005 PRESSAVG: 3292400 -22.4813 8.45234 37.7026 8.4523 8.97726 1.05773 37.7027 1.05785 9.39182 GPRESSAVG: 3292400 -20.9554 3.9952 38.3126 9.94603 8.33024 0.29032 38.37 1.74629 9.0309 TIMING: 3292400 CPU: 9557.7, 0.0029471/step Wall: 9557.7, 0.0029471/step, 1.39791 hours remaining, 205.914062 MB of memory in use. ENERGY: 3292400 752.8101 2171.5450 1945.9504 113.8434 -206231.3195 18060.3386 0.0000 0.0000 34234.3065 -148952.5255 298.9767 -183186.8320 -148858.6363 300.0652 185.0331 213.2848 557785.3519 -1.3707 -1.1981 PRESSURE: 3292600 -32.2186 -53.2699 -154.85 -53.2697 213.317 -40.3024 -154.851 -40.3012 -0.11471 GPRESSURE: 3292600 -21.4083 -25.1691 -127.644 3.50597 258.396 -12.0062 -204.344 -38.5955 39.9051 PRESSAVG: 3292600 18.6651 -6.4317 4.27846 -6.43163 -25.0005 -23.4813 4.27851 -23.4814 52.3076 GPRESSAVG: 3292600 18.2374 -5.54014 3.19932 -5.16797 -24.5585 -24.2942 4.72239 -22.639 52.6151 TIMING: 3292600 CPU: 9558.28, 0.00289253/step Wall: 9558.28, 0.00289253/step, 1.37186 hours remaining, 205.914062 MB of memory in use. ENERGY: 3292600 767.3336 2143.4665 1948.1086 110.7894 -206485.4411 18017.4774 0.0000 0.0000 34309.7933 -149188.4722 299.6360 -183498.2656 -149094.8319 299.8325 60.3278 92.2976 557896.0247 15.3241 15.4313 PRESSURE: 3292800 -238.833 142.977 -65.7974 142.975 19.5099 -107.925 -65.7988 -107.924 29.947 GPRESSURE: 3292800 -210.977 82.5986 -69.1815 225.35 40.7095 -98.7502 -50.8497 -110.124 82.1326 PRESSAVG: 3292800 -21.8492 38.116 32.919 38.1159 54.288 0.180966 32.9189 0.180938 -37.9633 GPRESSAVG: 3292800 -22.3782 39.4552 32.2838 38.1576 53.4718 2.09805 33.1302 -1.10252 -37.028 TIMING: 3292800 CPU: 9558.86, 0.00289353/step Wall: 9558.86, 0.00289353/step, 1.37218 hours remaining, 205.914062 MB of memory in use. ENERGY: 3292800 758.5947 2059.5908 1930.2200 118.6236 -206237.7105 17828.8542 0.0000 0.0000 34411.1924 -149130.6349 300.5215 -183541.8272 -149023.4134 299.2392 -63.1255 -29.3782 558858.2182 -1.8415 -1.9781 PRESSURE: 3293000 -51.5835 93.3737 70.154 93.3729 -344.398 -39.8457 70.1537 -39.8431 160.179 GPRESSURE: 3293000 -39.1859 106.55 55.0933 89.1583 -274.466 -37.7255 47.7469 -37.6152 185.233 PRESSAVG: 3293000 -68.9095 41.4523 30.1835 41.4522 31.0609 5.21544 30.1834 5.21554 8.04139 GPRESSAVG: 3293000 -69.0752 41.1865 30.8914 40.0604 32.917 4.42182 31.2554 7.46953 6.51106 TIMING: 3293000 CPU: 9559.44, 0.00290531/step Wall: 9559.44, 0.00290531/step, 1.3776 hours remaining, 205.914062 MB of memory in use. ENERGY: 3293000 752.7499 2061.1503 1955.6185 109.5956 -206180.2417 17799.5067 0.0000 0.0000 34245.2934 -149256.3273 299.0727 -183501.6207 -149162.8142 299.1837 -78.6010 -42.8063 558359.2440 -9.9357 -9.8824 PRESSURE: 3293200 58.569 216.235 -29.7195 216.235 138.214 29.6093 -29.7196 29.6096 58.2212 GPRESSURE: 3293200 73.4297 243.262 -31.6359 72.4914 125.751 38.3891 -45.9124 70.7954 146.632 PRESSAVG: 3293200 -38.0444 36.2943 -5.02459 36.2943 21.7231 -45.5539 -5.02463 -45.5539 28.1807 GPRESSAVG: 3293200 -37.1559 36.018 -3.44001 34.8757 20.4406 -44.5087 -7.37422 -46.9254 28.5061 TIMING: 3293200 CPU: 9560.02, 0.00292257/step Wall: 9560.02, 0.00292257/step, 1.38562 hours remaining, 205.914062 MB of memory in use. ENERGY: 3293200 752.5719 2110.7058 1954.3735 123.7081 -206526.9968 18049.8896 0.0000 0.0000 34197.9229 -149337.8250 298.6590 -183535.7479 -149239.8806 298.7657 85.0013 115.2709 558233.1140 3.9531 3.9302 PRESSURE: 3293400 149.126 44.7358 -72.3151 44.7356 290.688 12.9569 -72.3148 12.955 -53.0535 GPRESSURE: 3293400 143.415 5.84524 -31.6547 3.91352 367.395 -70.5368 -84.1272 -36.3292 -6.922 PRESSAVG: 3293400 11.9938 55.0606 22.5605 55.0606 -48.2118 -47.082 22.5605 -47.082 67.3977 GPRESSAVG: 3293400 13.2642 54.4733 24.4057 56.1203 -48.8657 -48.1949 22.6282 -47.0489 67.6771 TIMING: 3293400 CPU: 9560.6, 0.00289058/step Wall: 9560.6, 0.00289058/step, 1.3703 hours remaining, 205.914062 MB of memory in use. ENERGY: 3293400 723.2384 2088.3423 1958.9688 108.4898 -206477.4176 17863.4267 0.0000 0.0000 34466.2466 -149268.7050 301.0023 -183734.9516 -149169.0573 298.9311 128.9201 167.9627 556849.0369 10.3932 10.6919 PRESSURE: 3293600 95.6284 96.8274 103.113 96.8267 147.147 115.39 103.111 115.39 26.0566 GPRESSURE: 3293600 138.928 51.1648 168.331 121.274 186.909 127.665 73.5314 70.4289 37.1026 PRESSAVG: 3293600 63.177 -49.1824 42.6456 -49.1823 -82.1959 7.10228 42.6457 7.10214 -3.27924 GPRESSAVG: 3293600 61.9374 -48.3241 40.9862 -48.6902 -81.1075 6.02783 44.3629 8.8597 -2.70928 TIMING: 3293600 CPU: 9561.18, 0.00290541/step Wall: 9561.18, 0.00290541/step, 1.37717 hours remaining, 205.914062 MB of memory in use. ENERGY: 3293600 705.3095 2109.3380 1954.0410 113.5748 -206484.7428 18136.5433 0.0000 0.0000 34376.0911 -149089.8452 300.2150 -183465.9363 -148997.8752 299.6784 89.6106 120.9796 558699.6431 -7.4327 -7.2931 PRESSURE: 3293800 -61.0102 -61.9905 -374.795 -61.99 -250.372 9.5213 -374.794 9.52094 -127.129 GPRESSURE: 3293800 2.74341 -27.6123 -382.654 -53.8951 -241.744 35.4014 -342.953 -20.179 -105.072 PRESSAVG: 3293800 16.8175 -22.6406 -55.4856 -22.6406 -63.7365 -1.2351 -55.4856 -1.23509 29.8916 GPRESSAVG: 3293800 17.43 -21.5483 -56.8955 -23.5579 -65.0223 -0.736074 -57.2165 -2.42642 30.8009 TIMING: 3293800 CPU: 9561.76, 0.0028954/step Wall: 9561.76, 0.0028954/step, 1.37226 hours remaining, 205.914062 MB of memory in use. ENERGY: 3293800 792.3275 2165.7622 1939.9581 115.8557 -205901.7495 17623.8233 0.0000 0.0000 34274.3356 -148989.6870 299.3263 -183264.0227 -148890.8072 299.6187 -146.1704 -114.6909 559171.3661 -5.6758 -5.5971 PRESSURE: 3294000 -109.282 -154.265 121.225 -154.264 -127.621 128.381 121.223 128.382 -39.2074 GPRESSURE: 3294000 -141.912 -104.124 118.841 -186.419 -73.5658 116.494 37.3207 81.1128 19.1813 PRESSAVG: 3294000 4.93855 -41.8398 -8.66348 -41.8399 -46.9559 -14.9538 -8.6635 -14.9538 53.9699 GPRESSAVG: 3294000 3.31135 -41.1148 -9.00415 -42.4594 -45.8869 -14.3004 -8.62471 -13.9291 54.078 TIMING: 3294000 CPU: 9562.34, 0.00288335/step Wall: 9562.34, 0.00288335/step, 1.36639 hours remaining, 205.914062 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: 3294000 764.2117 2156.5056 1960.0252 119.2111 -205811.5141 17678.8238 0.0000 0.0000 34242.0186 -148890.7180 299.0441 -183132.7366 -148799.2370 299.9644 -92.0369 -65.4322 559083.7631 3.9842 3.8342 PRESSURE: 3294200 -29.1035 85.409 99.3955 85.4096 79.0347 -44.836 99.3951 -44.8364 11.3049 GPRESSURE: 3294200 -19.1989 105.53 46.362 -13.8998 152.211 -79.7514 103.313 19.3042 18.5011 PRESSAVG: 3294200 -39.4613 -15.0305 -27.9507 -15.0306 64.4384 -1.78069 -27.9507 -1.78078 -13.1122 GPRESSAVG: 3294200 -38.7706 -17.1649 -27.73 -12.8947 64.9051 -1.27022 -27.8797 -3.40171 -14.2992 TIMING: 3294200 CPU: 9562.92, 0.00292424/step Wall: 9562.92, 0.00292424/step, 1.3856 hours remaining, 205.914062 MB of memory in use. ENERGY: 3294200 733.6143 2091.9583 1974.6454 99.4641 -206286.7476 18051.3049 0.0000 0.0000 34387.2900 -148948.4704 300.3128 -183335.7604 -148842.5804 299.6200 20.4120 50.5043 557599.4211 3.9550 3.9451 PRESSURE: 3294400 -75.2602 8.68658 -62.7876 8.6872 69.5034 75.1491 -62.7875 75.1497 134.588 GPRESSURE: 3294400 -2.12438 10.6987 -118.269 10.0085 90.3955 54.5367 -141.007 112.15 126.666 PRESSAVG: 3294400 -34.7632 -18.0324 17.4443 -18.0324 14.4597 -57.0518 17.4442 -57.0519 10.0867 GPRESSAVG: 3294400 -33.9543 -17.6218 15.5582 -18.8318 13.7579 -58.476 17.4389 -55.8268 10.1988 TIMING: 3294400 CPU: 9563.5, 0.00289789/step Wall: 9563.5, 0.00289789/step, 1.37296 hours remaining, 205.914062 MB of memory in use. ENERGY: 3294400 729.9554 2133.0751 1952.0927 110.1171 -206018.3932 17901.7819 0.0000 0.0000 34169.7481 -149021.6229 298.4129 -183191.3711 -148923.7513 299.9151 42.9437 71.6457 557893.3337 -3.4056 -3.3325 PRESSURE: 3294600 6.49698 53.6804 13.8421 53.6809 129.47 63.3742 13.8419 63.3727 27.6805 GPRESSURE: 3294600 56.9416 26.6031 26.9814 79.4604 155.687 27.1868 -24.4628 13.4439 39.9353 PRESSAVG: 3294600 -1.81125 -29.9842 6.48564 -29.9842 -6.69427 -71.6257 6.48557 -71.6256 9.50783 GPRESSAVG: 3294600 -1.60593 -29.6489 10.2321 -30.8881 -6.98787 -71.0258 5.35973 -71.8668 9.58481 TIMING: 3294600 CPU: 9564.08, 0.00291162/step Wall: 9564.08, 0.00291162/step, 1.3793 hours remaining, 205.914062 MB of memory in use. ENERGY: 3294600 700.5933 2126.8605 1954.9942 115.5028 -206001.4595 17788.1350 0.0000 0.0000 34145.2920 -149170.0816 298.1993 -183315.3736 -149061.0782 299.2153 54.5491 84.1880 557400.8677 0.3341 0.3303 PRESSURE: 3294800 -149.975 -215.982 -105.195 -215.982 -266.968 -156.32 -105.196 -156.321 -173.637 GPRESSURE: 3294800 -91.4191 -298.282 -194.417 -144.527 -276.18 -113.19 -5.47626 -169.265 -118.292 PRESSAVG: 3294800 -1.85765 10.4584 -2.74011 10.4585 -89.7169 -62.9284 -2.74016 -62.9283 73.5239 GPRESSAVG: 3294800 -1.73824 12 -4.7615 9.44611 -89.462 -62.5151 0.548274 -63.7505 73.2245 TIMING: 3294800 CPU: 9564.66, 0.00290443/step Wall: 9564.66, 0.00290443/step, 1.37573 hours remaining, 205.914062 MB of memory in use. ENERGY: 3294800 756.8702 2041.6307 1915.4131 99.7115 -205742.4561 17703.1343 0.0000 0.0000 34182.7917 -149042.9045 298.5268 -183225.6962 -148946.8994 298.7904 -196.8601 -161.9638 559945.7434 -6.0169 -5.9919 PRESSURE: 3295000 -74.8959 -33.1687 9.98218 -33.1687 -83.6627 3.38365 9.98238 3.38296 -275.173 GPRESSURE: 3295000 -2.12692 -2.43431 27.3682 -59.9564 -60.8704 -57.341 -91.6653 -7.76151 -294.583 PRESSAVG: 3295000 19.4381 -18.3521 31.7798 -18.352 57.1219 -19.6406 31.7798 -19.6406 -48.5237 GPRESSAVG: 3295000 20.1642 -19.1526 30.9258 -16.027 55.957 -19.6917 28.5161 -19.6137 -47.9629 TIMING: 3295000 CPU: 9565.25, 0.00293492/step Wall: 9565.25, 0.00293492/step, 1.39001 hours remaining, 205.914062 MB of memory in use. ENERGY: 3295000 704.3958 2069.5102 1963.7405 109.5787 -205808.2599 17539.4064 0.0000 0.0000 34349.7861 -149071.8422 299.9852 -183421.6282 -148974.2924 299.3401 -144.5773 -119.1935 557560.3771 9.3454 9.3861 PRESSURE: 3295200 -47.5727 -176.495 -80.6942 -176.495 67.791 -146.469 -80.694 -146.47 -84.1566 GPRESSURE: 3295200 -10.3137 -165.41 -62.4031 -171.735 120.567 -203.498 51.4924 -124.743 -72.2689 PRESSAVG: 3295200 20.5345 -11.5733 1.11926 -11.5734 58.8833 -53.2963 1.11915 -53.2962 -33.8104 GPRESSAVG: 3295200 19.1511 -10.8215 -0.22159 -13.8583 60.2395 -52.2673 2.5844 -51.8611 -34.418 TIMING: 3295200 CPU: 9565.83, 0.0029175/step Wall: 9565.83, 0.0029175/step, 1.3816 hours remaining, 205.914062 MB of memory in use. ENERGY: 3295200 749.9213 2095.9467 1935.5529 109.4951 -206308.7799 17815.5391 0.0000 0.0000 34576.4925 -149025.8322 301.9651 -183602.3247 -148925.2115 299.2408 -21.3128 12.6615 557673.3022 15.2025 14.9909 PRESSURE: 3295400 125.356 120.353 46.1207 120.353 75.1105 56.6051 46.1212 56.604 221.54 GPRESSURE: 3295400 111.058 47.4581 27.2527 195.186 124.697 57.0285 58.0292 61.3402 274.941 PRESSAVG: 3295400 19.3646 44.9384 -3.81936 44.9383 -17.3872 17.8213 -3.81931 17.8213 -1.34856 GPRESSAVG: 3295400 19.9182 42.8903 -3.32558 46.3672 -18.253 17.013 -4.33541 16.7804 -1.46933 TIMING: 3295400 CPU: 9566.42, 0.00293187/step Wall: 9566.42, 0.00293187/step, 1.38824 hours remaining, 205.914062 MB of memory in use. ENERGY: 3295400 750.0768 2120.4454 1961.0137 102.9170 -205877.3208 17716.6606 0.0000 0.0000 34325.8651 -148900.3421 299.7763 -183226.2073 -148802.2634 300.7218 140.6688 170.2316 556421.5493 0.2096 0.0653 PRESSURE: 3295600 21.4469 185.993 -62.9782 185.993 61.4375 33.2975 -62.9775 33.2962 -56.9394 GPRESSURE: 3295600 -11.9556 148.667 -44.417 244.264 154.549 14.2601 -20.3326 22.432 -7.91662 PRESSAVG: 3295600 25.7523 59.9591 7.18152 59.959 53.6217 -28.5205 7.18157 -28.5204 -84.3187 GPRESSAVG: 3295600 24.7384 60.3208 9.38008 60.2072 54.8862 -29.3793 5.73725 -28.17 -84.6747 TIMING: 3295600 CPU: 9567, 0.00290116/step Wall: 9567, 0.00290116/step, 1.37354 hours remaining, 205.914062 MB of memory in use. ENERGY: 3295600 710.8603 2120.8965 1949.9032 116.8843 -206100.2210 17840.7678 0.0000 0.0000 34381.5511 -148979.3578 300.2626 -183360.9089 -148889.6414 299.9891 8.6484 44.8921 557203.3386 -1.6483 -1.6834 PRESSURE: 3295800 -370.579 13.2019 -73.4011 13.2006 -252.572 144.081 -73.4009 144.08 -221.216 GPRESSURE: 3295800 -277.198 -28.1551 -105.437 73.179 -276.137 132.96 -99.3402 159.941 -207.586 PRESSAVG: 3295800 -23.5539 34.4997 34.0979 34.4996 33.4447 25.4431 34.0979 25.443 -12.3796 GPRESSAVG: 3295800 -23.7341 34.6567 32.805 33.4331 31.8077 26.8689 36.4726 25.7638 -10.9644 TIMING: 3295800 CPU: 9567.58, 0.00289332/step Wall: 9567.58, 0.00289332/step, 1.36967 hours remaining, 205.914062 MB of memory in use. ENERGY: 3295800 742.3233 2107.9135 1967.6609 113.2208 -205861.0743 17421.2939 0.0000 0.0000 34506.1626 -149002.4993 301.3509 -183508.6619 -148904.3748 300.3075 -281.4554 -253.6403 559746.7802 -0.8296 -0.9636 PRESSURE: 3296000 -19.5406 17.0496 -109.664 17.0502 41.6653 103.962 -109.664 103.962 0.175851 GPRESSURE: 3296000 -19.4574 62.4461 -74.8589 40.1599 74.157 85.403 -119.859 90.2094 55.3933 PRESSAVG: 3296000 -19.8633 -17.233 -45.697 -17.233 3.51729 -1.76172 -45.697 -1.76166 2.25217 GPRESSAVG: 3296000 -19.6457 -16.4333 -44.4836 -15.486 4.50278 -2.25755 -45.8274 -3.35304 0.838586 TIMING: 3296000 CPU: 9568.16, 0.00290722/step Wall: 9568.16, 0.00290722/step, 1.37609 hours remaining, 205.914062 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: 3296000 760.7363 2025.8769 1965.5560 107.6039 -206090.2802 17739.4831 0.0000 0.0000 34506.3108 -148984.7131 301.3522 -183491.0239 -148882.4796 299.9803 7.4335 36.6976 556892.0381 -4.6980 -4.7681 PRESSURE: 3296200 -160.435 16.1209 -122.135 16.1214 70.102 -10.344 -122.134 -10.3436 -151.973 GPRESSURE: 3296200 -74.979 39.6435 -105.792 -22.4471 96.1985 41.9142 -95.2879 -25.989 -180.064 PRESSAVG: 3296200 -12.1817 29.2237 -3.93766 29.2236 58.8352 -49.726 -3.9376 -49.7261 8.9239 GPRESSAVG: 3296200 -11.416 29.9386 -3.75643 28.5759 57.616 -49.2592 -4.06051 -48.088 9.52488 TIMING: 3296200 CPU: 9568.74, 0.00289046/step Wall: 9568.74, 0.00289046/step, 1.36799 hours remaining, 205.914062 MB of memory in use. ENERGY: 3296200 749.8220 2040.8300 1933.7175 108.3027 -205864.8845 17608.2288 0.0000 0.0000 34356.1752 -149067.8082 300.0410 -183423.9835 -148966.7989 299.9405 -80.7686 -52.9481 557343.1012 18.5258 18.5749 LDB: ============= START OF LOAD BALANCING ============== 9572.2 LDB: ============== END OF LOAD BALANCING =============== 9572.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9572.21 LDB: ============= START OF LOAD BALANCING ============== 9572.5 LDB: Largest compute 4820 load 0.027050 is 23.0% of average load 0.117808 LDB: Average compute 0.001716 is 1.5% of average load 0.117808 LDB: TIME 9572.5 LOAD: AVG 0.117808 MAX 0.177451 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 9572.5 LOAD: AVG 0.117808 MAX 0.177451 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: TIME 9572.5 LOAD: AVG 0.117808 MAX 0.177451 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.695 MB LDB: ============== END OF LOAD BALANCING =============== 9572.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9572.51 PRESSURE: 3296400 -9.68046 50.6094 10.7926 50.6087 -318.275 49.0524 10.7923 49.0523 191.685 GPRESSURE: 3296400 66.911 1.975 12.8624 52.1743 -287.02 79.296 -12.7411 95.8419 162.757 PRESSAVG: 3296400 -34.8189 16.1793 16.523 16.1794 3.65833 -15.4568 16.5229 -15.4568 -6.77226 GPRESSAVG: 3296400 -35.1226 15.0272 14.932 17.7714 3.53619 -15.836 17.8147 -16.2513 -6.61469 TIMING: 3296400 CPU: 9569.33, 0.00295549/step Wall: 9569.33, 0.00295549/step, 1.3986 hours remaining, 206.257812 MB of memory in use. ENERGY: 3296400 765.1070 2073.9311 1955.0218 113.3415 -206062.1974 17607.4788 0.0000 0.0000 34290.9663 -149256.3510 299.4715 -183547.3173 -149163.2317 299.2543 -45.4232 -19.1172 556127.7153 -12.6443 -12.7337 PRESSURE: 3296600 -353.273 112.41 -38.2434 112.411 -314.136 4.95818 -38.245 4.95797 -385.069 GPRESSURE: 3296600 -332.125 130.507 -27.6314 100.55 -315.642 93.2264 4.99815 16.1991 -316.957 PRESSAVG: 3296600 40.5272 35.5062 10.759 35.5062 12.4681 -17.1385 10.759 -17.1385 -40.2219 GPRESSAVG: 3296600 39.2292 34.4738 8.60613 34.1462 13.8796 -18.3644 12.2724 -16.2786 -39.8623 TIMING: 3296600 CPU: 9569.91, 0.00290507/step Wall: 9569.91, 0.00290507/step, 1.37458 hours remaining, 206.460938 MB of memory in use. ENERGY: 3296600 730.8156 2123.4263 1944.6780 113.6676 -205587.7476 17226.4847 0.0000 0.0000 34130.6499 -149318.0256 298.0715 -183448.6754 -149221.7571 299.2988 -350.8261 -321.5746 558394.3069 4.2578 4.4155 PRESSURE: 3296800 107.436 34.4688 101.046 34.4691 -204.063 71.2061 101.046 71.2061 -288.439 GPRESSURE: 3296800 112.153 -0.514163 221.435 12.1172 -189.56 -30.9117 -58.0545 67.2095 -199.485 PRESSAVG: 3296800 -44.8846 -11.5758 8.75286 -11.5758 3.54448 9.47985 8.75275 9.47988 1.76074 GPRESSAVG: 3296800 -43.819 -10.2535 10.4994 -11.2773 3.69551 10.3338 5.76628 8.04648 1.28931 TIMING: 3296800 CPU: 9570.5, 0.00292534/step Wall: 9570.5, 0.00292534/step, 1.38401 hours remaining, 206.460938 MB of memory in use. ENERGY: 3296800 751.8730 2051.5661 1958.6773 119.1171 -206102.1762 17725.5797 0.0000 0.0000 34290.5893 -149204.7738 299.4682 -183495.3631 -149110.4441 298.9568 -128.3555 -92.2975 556687.8903 -13.1931 -12.9447 PRESSURE: 3297000 216.473 -289.409 48.3273 -289.408 479.111 -41.9173 48.3283 -41.9161 27.1041 GPRESSURE: 3297000 233.975 -304.367 2.11761 -211.3 481.792 -1.24684 -44.7057 -110.365 115.056 PRESSAVG: 3297000 16.4897 -3.75524 -2.24738 -3.75519 -4.51362 -37.5267 -2.24739 -37.5267 -38.9068 GPRESSAVG: 3297000 15.8357 -4.40452 -3.98356 -4.24467 -4.61848 -37.0522 -1.28958 -36.9027 -39.1586 TIMING: 3297000 CPU: 9571.08, 0.002924/step Wall: 9571.08, 0.002924/step, 1.38321 hours remaining, 206.460938 MB of memory in use. ENERGY: 3297000 757.0414 2129.7055 1972.5557 106.8490 -206518.6500 18296.0343 0.0000 0.0000 34223.1788 -149033.2854 298.8795 -183256.4642 -148942.6170 299.9151 240.8962 276.9411 556891.3233 -8.9769 -9.3138 PRESSURE: 3297200 -65.817 16.3698 -153.876 16.3703 -291.442 9.3228 -153.877 9.32448 -128.53 GPRESSURE: 3297200 -46.2297 97.7104 -46.4994 -41.8415 -263.612 86.5369 -141.271 -34.956 -74.4595 PRESSAVG: 3297200 46.1928 -37.5803 40.4764 -37.5802 -44.385 -18.2977 40.4764 -18.2978 12.7597 GPRESSAVG: 3297200 46.8103 -36.0134 44.0445 -37.3801 -45.408 -17.9358 39.2844 -17.5074 12.8284 TIMING: 3297200 CPU: 9571.66, 0.00287903/step Wall: 9571.66, 0.00287903/step, 1.36178 hours remaining, 206.460938 MB of memory in use. ENERGY: 3297200 790.5498 2123.2685 1947.6225 121.8670 -205773.1171 17518.4736 0.0000 0.0000 34169.7960 -149101.5396 298.4133 -183271.3357 -149002.6960 299.2788 -161.9297 -128.1005 555593.9966 4.8558 4.7436 PRESSURE: 3297400 -104.106 12.607 116.309 12.6058 -23.8739 -10.1319 116.308 -10.1315 -33.8189 GPRESSURE: 3297400 -54.1902 -32.6604 188.356 105.925 18.0799 21.1188 125.159 -19.1151 -33.2348 PRESSAVG: 3297400 -33.6371 14.702 -28.7371 14.702 12.0689 -27.2465 -28.7373 -27.2466 -5.82623 GPRESSAVG: 3297400 -33.0909 13.2467 -29.9977 14.7355 12.5102 -28.4537 -27.9623 -27.2992 -7.64319 TIMING: 3297400 CPU: 9572.24, 0.00291218/step Wall: 9572.24, 0.00291218/step, 1.3773 hours remaining, 206.460938 MB of memory in use. ENERGY: 3297400 741.6749 2085.0348 1919.1773 125.9493 -206143.1624 17767.7751 0.0000 0.0000 34245.5407 -149258.0104 299.0748 -183503.5511 -149161.5595 299.0531 -53.9329 -23.1150 557888.9321 -9.1315 -9.4080 PRESSURE: 3297600 -199.832 46.7297 158.693 46.7301 -77.544 192.568 158.694 192.567 179.854 GPRESSURE: 3297600 -193.149 97.7081 165.619 54.9161 14.3239 220.751 46.3468 134.297 184.372 PRESSAVG: 3297600 -34.941 34.2873 25.572 34.2874 54.4015 34.74 25.5719 34.74 -0.644662 GPRESSAVG: 3297600 -35.1716 35.1059 28.341 33.4659 54.8885 35.7628 24.5955 35.1535 -0.349972 TIMING: 3297600 CPU: 9572.82, 0.00290679/step Wall: 9572.82, 0.00290679/step, 1.37459 hours remaining, 206.460938 MB of memory in use. ENERGY: 3297600 741.4149 2059.5720 1953.2357 115.5912 -206289.5982 17859.0483 0.0000 0.0000 34310.6833 -149250.0528 299.6437 -183560.7361 -149153.2211 298.7260 -32.5072 1.8491 557507.4017 6.2719 6.4556 PRESSURE: 3297800 -114.682 -72.0352 91.2651 -72.0333 -158.17 -82.4583 91.2662 -82.4572 -239.615 GPRESSURE: 3297800 -68.863 -96.6402 66.2355 -57.4167 -119.311 -117.732 69.3055 -46.1075 -228.743 PRESSAVG: 3297800 -56.3302 16.0457 28.4839 16.0457 13.7236 -17.3495 28.484 -17.3495 9.41539 GPRESSAVG: 3297800 -56.3509 14.9988 25.2742 17.4057 12.8229 -17.8692 29.6146 -17.5764 10.136 TIMING: 3297800 CPU: 9573.4, 0.00289508/step Wall: 9573.4, 0.00289508/step, 1.36889 hours remaining, 206.460938 MB of memory in use. ENERGY: 3297800 744.8612 2040.6907 1961.7179 132.1200 -206044.2738 17712.4231 0.0000 0.0000 34193.8783 -149258.5826 298.6236 -183452.4609 -149165.1925 298.8965 -170.8224 -138.9722 559047.5656 -11.0637 -11.1307 PRESSURE: 3298000 70.7436 151.358 10.0748 151.359 -215.574 -94.3344 10.0744 -94.334 181.855 GPRESSURE: 3298000 95.3517 163.594 37.1385 133.633 -174.405 -37.3198 -1.35691 -171.291 208.94 PRESSAVG: 3298000 40.6304 50.9872 -41.9445 50.9871 -37.4641 6.59373 -41.9445 6.59369 15.2093 GPRESSAVG: 3298000 40.0986 51.5101 -42.5021 49.8048 -37.0793 10.2771 -41.8074 5.00677 15.6636 TIMING: 3298000 CPU: 9573.98, 0.00288311/step Wall: 9573.98, 0.00288311/step, 1.36307 hours remaining, 206.460938 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: 3298000 727.1497 2120.2739 1956.3189 120.2603 -206115.8869 17726.3579 0.0000 0.0000 34272.9027 -149192.6235 299.3138 -183465.5262 -149100.0409 299.1678 12.3418 43.2957 557020.6619 6.1252 6.2276 PRESSURE: 3298200 -302.73 13.6442 60.4341 13.6436 -368.809 34.8172 60.4342 34.8165 -254.907 GPRESSURE: 3298200 -301.254 66.2824 62.0603 21.347 -321.074 54.0736 56.6805 13.5216 -200.902 PRESSAVG: 3298200 11.6158 32.3566 -11.674 32.3565 -0.486003 -51.4703 -11.6739 -51.4703 8.74093 GPRESSAVG: 3298200 10.9377 33.9645 -9.3926 32.4951 0.182751 -52.8425 -13.6535 -49.7683 9.18944 TIMING: 3298200 CPU: 9574.55, 0.00288911/step Wall: 9574.55, 0.00288911/step, 1.36575 hours remaining, 206.460938 MB of memory in use. ENERGY: 3298200 755.5038 2068.7081 1933.5501 109.2106 -205560.3889 17490.8702 0.0000 0.0000 34193.3518 -149009.1943 298.6190 -183202.5460 -148908.5371 299.2726 -308.8153 -274.4099 559721.2558 6.6236 6.7700 PRESSURE: 3298400 -187.237 -47.3756 146.619 -47.3743 -11.7639 68.4238 146.619 68.4241 -190.809 GPRESSURE: 3298400 -211.273 -98.6546 183.942 -63.6675 39.5421 46.7705 126.124 123.492 -114.339 PRESSAVG: 3298400 -4.53611 27.2745 -46.3837 27.2745 -9.52748 -6.98234 -46.3837 -6.98237 -18.3789 GPRESSAVG: 3298400 -3.20552 24.4354 -46.8617 25.9537 -10.0714 -8.65246 -46.155 -7.50502 -19.0985 TIMING: 3298400 CPU: 9575.13, 0.00288269/step Wall: 9575.13, 0.00288269/step, 1.36255 hours remaining, 206.460938 MB of memory in use. ENERGY: 3298400 747.5257 2087.0728 1953.2548 125.2743 -206105.6069 17767.4181 0.0000 0.0000 34393.0454 -149032.0159 300.3630 -183425.0613 -148936.5333 300.0258 -129.9368 -95.3566 558745.6784 -10.8142 -10.7918 PRESSURE: 3298600 -205.074 -30.1563 59.4421 -30.1548 -276.673 56.5309 59.4412 56.5297 -51.9172 GPRESSURE: 3298600 -153.482 -92.6392 39.3215 46.5821 -238.744 -41.0411 74.8328 31.2516 -42.0524 PRESSAVG: 3298600 19.9808 54.5362 9.93874 54.5362 41.5 -20.2833 9.93876 -20.2834 9.91125 GPRESSAVG: 3298600 20.0943 54.3604 11.2044 57.0447 41.3292 -20.0925 10.5825 -20.3022 9.81262 TIMING: 3298600 CPU: 9575.71, 0.00287599/step Wall: 9575.71, 0.00287599/step, 1.35922 hours remaining, 206.460938 MB of memory in use. ENERGY: 3298600 750.4541 2125.9669 1953.5734 121.4989 -205972.8163 17549.9810 0.0000 0.0000 34215.3852 -149255.9569 298.8115 -183471.3421 -149160.2937 299.8810 -177.8881 -144.7596 557694.4023 23.7974 23.7454 PRESSURE: 3298800 -132.868 17.4225 -127.616 17.4216 -151.627 192.326 -127.617 192.326 -285.868 GPRESSURE: 3298800 -76.6178 22.8473 -150.31 -68.1203 -134.558 174.088 -143.019 233.91 -257.528 PRESSAVG: 3298800 34.3525 28.3328 -57.2274 28.3328 45.9672 -27.376 -57.2274 -27.3759 -32.3443 GPRESSAVG: 3298800 34.1225 29.1852 -58.6173 25.5219 45.5221 -24.771 -56.8067 -27.842 -31.8455 TIMING: 3298800 CPU: 9576.28, 0.00287211/step Wall: 9576.28, 0.00287211/step, 1.35723 hours remaining, 206.460938 MB of memory in use. ENERGY: 3298800 748.8955 2050.8819 1975.3963 98.6293 -205750.3874 17375.2393 0.0000 0.0000 33953.0814 -149548.2637 296.5207 -183501.3451 -149446.4808 299.7035 -190.1211 -156.2346 557012.6020 15.9918 15.9331 PRESSURE: 3299000 143.902 138.398 -113.791 138.399 45.6506 106.959 -113.791 106.959 77.5351 GPRESSURE: 3299000 186.514 149.699 -102.314 125.184 65.7957 63.901 -125.491 51.0366 115.852 PRESSAVG: 3299000 16.0811 35.9278 -69.805 35.9277 -42.8285 22.1063 -69.8048 22.1065 16.7985 GPRESSAVG: 3299000 16.8288 36.7889 -69.4649 37.5684 -42.8229 19.1259 -71.0443 22.4975 15.5002 TIMING: 3299000 CPU: 9576.85, 0.00286488/step Wall: 9576.85, 0.00286488/step, 1.35366 hours remaining, 206.460938 MB of memory in use. ENERGY: 3299000 744.3763 2050.0317 1978.7937 107.0018 -206544.8339 17988.1828 0.0000 0.0000 34199.2179 -149477.2296 298.6703 -183676.4475 -149377.8698 297.9903 89.0291 122.7206 555925.4934 -3.3163 -3.4980 PRESSURE: 3299200 19.5149 44.7992 142.906 44.798 -89.2789 9.87635 142.907 9.87723 244.711 GPRESSURE: 3299200 9.0225 1.09463 83.7995 101.916 -23.4727 40.1347 212.962 -72.2043 288.472 PRESSAVG: 3299200 11.6672 -8.86437 24.2033 -8.86432 -46.8289 -5.60486 24.2034 -5.60503 31.7828 GPRESSAVG: 3299200 11.0581 -9.37105 22.1262 -8.43202 -47.1487 -4.76446 25.7835 -4.65617 32.7815 TIMING: 3299200 CPU: 9577.43, 0.00288175/step Wall: 9577.43, 0.00288175/step, 1.36146 hours remaining, 206.460938 MB of memory in use. ENERGY: 3299200 752.9137 2093.7095 1965.6958 123.8283 -206665.5679 17967.8676 0.0000 0.0000 34419.2141 -149342.3388 300.5916 -183761.5529 -149254.4377 299.4168 58.3156 91.3406 555214.7641 -1.1263 -1.1030 PRESSURE: 3299400 120.35 -62.886 -115.603 -62.8867 173.318 -1.61937 -115.602 -1.62025 -44.8875 GPRESSURE: 3299400 198.281 -74.6011 -74.983 -65.8574 185.949 64.4445 -135.463 -67.1417 -41.2325 PRESSAVG: 3299400 -56.0051 -2.26478 -4.62313 -2.26479 -58.3764 26.6935 -4.6232 26.6936 59.0286 GPRESSAVG: 3299400 -56.642 -1.65325 -4.32523 -2.78058 -58.3895 26.1713 -6.48764 25.8141 59.4833 TIMING: 3299400 CPU: 9578.01, 0.00288537/step Wall: 9578.01, 0.00288537/step, 1.36302 hours remaining, 206.460938 MB of memory in use. ENERGY: 3299400 731.6792 2081.7955 1956.4732 112.6051 -206431.7326 17974.9836 0.0000 0.0000 34297.3590 -149276.8369 299.5274 -183574.1960 -149177.1298 299.3213 82.9269 114.3327 557651.1961 -18.4510 -18.5161 PRESSURE: 3299600 -77.6327 -80.6142 -45.764 -80.6146 59.5442 -5.39564 -45.7635 -5.39569 -88.1961 GPRESSURE: 3299600 5.606 -102.126 -47.0795 -4.85756 44.3449 -38.3112 -28.2469 82.0908 -65.8271 PRESSAVG: 3299600 -21.0744 48.6075 -13.9923 48.6075 20.3675 7.06918 -13.9924 7.06911 -9.67594 GPRESSAVG: 3299600 -20.8575 46.9648 -12.955 49.5803 20.5634 6.97825 -12.6622 9.60724 -10.3743 TIMING: 3299600 CPU: 9578.59, 0.00289523/step Wall: 9578.59, 0.00289523/step, 1.36751 hours remaining, 206.460938 MB of memory in use. ENERGY: 3299600 770.2099 2068.4015 1951.7283 126.5009 -206340.3947 17929.9225 0.0000 0.0000 34375.8393 -149117.7922 300.2128 -183493.6315 -149030.1029 299.5169 -35.4282 -5.2921 558166.4483 -3.4609 -3.5561 PRESSURE: 3299800 -196.503 5.92195 -52.7167 5.92211 -272.446 -29.4152 -52.7164 -29.4148 -384.784 GPRESSURE: 3299800 -105.475 -35.623 -41.2184 22.6968 -274.228 -10.7135 -114.05 -86.3658 -369.175 PRESSAVG: 3299800 -22.8991 33.577 -16.1926 33.5771 49.2997 37.4485 -16.1926 37.4485 -12.5659 GPRESSAVG: 3299800 -21.4503 36.2866 -17.1693 32.4122 48.3243 38.6715 -17.0282 35.3666 -13.0348 TIMING: 3299800 CPU: 9579.17, 0.00292413/step Wall: 9579.17, 0.00292413/step, 1.381 hours remaining, 206.597656 MB of memory in use. ENERGY: 3299800 764.4584 2073.7812 1937.4462 108.6100 -205799.7430 17474.2829 0.0000 0.0000 34149.7088 -149291.4555 298.2379 -183441.1643 -149197.8299 298.6496 -284.5778 -249.6263 559164.6263 4.6116 4.6131 PRESSURE: 3300000 135.13 42.0743 90.7956 42.0738 -31.5417 -33.6259 90.7951 -33.6224 278.91 GPRESSURE: 3300000 176.04 23.7632 104.438 48.4125 13.6271 113.644 165.672 -108.436 287.161 PRESSAVG: 3300000 37.3595 -13.0257 -27.2545 -13.0257 -28.4541 -31.6043 -27.2544 -31.6042 -6.20902 GPRESSAVG: 3300000 37.2849 -14.187 -25.3203 -12.8001 -28.9579 -33.0693 -26.4468 -30.2438 -5.76406 TIMING: 3300000 CPU: 9579.75, 0.00290111/step Wall: 9579.75, 0.00290111/step, 1.36997 hours remaining, 206.597656 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: 3300000 732.9244 2153.1053 1931.0787 114.2444 -206454.3336 18075.3816 0.0000 0.0000 34203.4176 -149244.1816 298.7070 -183447.5992 -149145.2121 298.7683 127.4996 158.9427 558001.3112 0.8988 0.8543 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.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 48.9006 -28.6889 55.6187 -28.6864 61.3549 -69.9724 55.6189 -69.9725 -98.2857 GPRESSURE: 3300200 65.8057 19.9041 77.008 -26.3476 85.0977 -88.62 69.6558 -91.6488 -41.5805 PRESSAVG: 3300200 11.5436 -40.8647 65.1587 -40.8646 -4.68377 -75.4846 65.1588 -75.4846 5.0434 GPRESSAVG: 3300200 10.493 -41.173 64.5724 -39.1436 -4.32652 -75.4892 63.0273 -75.9955 5.68396 TIMING: 3300200 CPU: 9580.35, 0.00297338/step Wall: 9580.35, 0.00297338/step, 1.40393 hours remaining, 206.722656 MB of memory in use. ENERGY: 3300200 759.5011 2111.7259 1969.9017 120.2125 -206507.6958 17979.9450 0.0000 0.0000 34255.1409 -149311.2687 299.1587 -183566.4096 -149216.9348 298.4421 3.9899 36.4410 558368.0738 3.9677 3.9502 LDB: ============= START OF LOAD BALANCING ============== 9583.81 LDB: ============== END OF LOAD BALANCING =============== 9583.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9583.81 LDB: ============= START OF LOAD BALANCING ============== 9584.1 LDB: Largest compute 4820 load 0.026460 is 22.5% of average load 0.117777 LDB: Average compute 0.001709 is 1.5% of average load 0.117777 LDB: TIME 9584.11 LOAD: AVG 0.117777 MAX 0.180176 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.867 MB LDB: TIME 9584.11 LOAD: AVG 0.117777 MAX 0.180176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: TIME 9584.11 LOAD: AVG 0.117777 MAX 0.180176 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: ============== END OF LOAD BALANCING =============== 9584.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9584.11 PRESSURE: 3300400 195.99 -73.7151 -136.67 -73.7154 166.196 -62.9451 -136.671 -62.9453 72.3567 GPRESSURE: 3300400 231.08 -48.2948 -163.259 -89.3616 209.786 -74.7419 -115.629 -82.3155 104.329 PRESSAVG: 3300400 90.0741 18.8618 -2.71047 18.8617 -34.0424 -60.0896 -2.7105 -60.0898 -28.1253 GPRESSAVG: 3300400 89.988 19.4226 0.790467 16.7088 -33.3583 -59.4676 -2.62659 -61.5144 -28.7978 TIMING: 3300400 CPU: 9580.94, 0.00295497/step Wall: 9580.94, 0.00295497/step, 1.39507 hours remaining, 208.343750 MB of memory in use. ENERGY: 3300400 735.1735 2085.9579 1978.5320 121.5102 -206197.2267 17944.6835 0.0000 0.0000 34118.7414 -149212.6281 297.9675 -183331.3695 -149111.5787 298.6720 144.8476 181.7316 557624.1491 9.3021 9.2773 PRESSURE: 3300600 -279.437 -55.3462 -73.8619 -55.3473 -269.066 21.9089 -73.8628 21.9105 -252.452 GPRESSURE: 3300600 -262.657 -113.555 -87.8238 -74.5521 -192.763 -29.0095 -130.027 104.737 -258.199 PRESSAVG: 3300600 10.4194 -38.5493 1.96265 -38.5494 46.1765 -43.8351 1.96275 -43.835 -24.7747 GPRESSAVG: 3300600 11.3303 -39.7373 -2.39979 -37.8702 45.6352 -45.6509 3.94092 -42.4847 -24.9869 TIMING: 3300600 CPU: 9581.52, 0.00290211/step Wall: 9581.52, 0.00290211/step, 1.36996 hours remaining, 208.546875 MB of memory in use. ENERGY: 3300600 752.5976 2083.1178 1938.4497 111.1663 -205654.2310 17446.9535 0.0000 0.0000 34131.3411 -149190.6049 298.0775 -183321.9460 -149095.2082 299.5435 -266.9850 -237.8731 558941.9786 10.6071 10.6595 PRESSURE: 3300800 -35.8914 24.1041 1.33223 24.1036 -157.541 -124.515 1.33204 -124.514 178.012 GPRESSURE: 3300800 9.51025 -24.8946 -51.6555 13.8216 -148.715 -150.974 107.484 -24.5895 219.622 PRESSAVG: 3300800 11.3488 2.16834 -27.1341 2.16843 -39.8417 -84.9464 -27.134 -84.9463 21.0966 GPRESSAVG: 3300800 11.4022 3.70233 -27.2472 0.745719 -40.3731 -82.3909 -27.4286 -86.5472 22.2351 TIMING: 3300800 CPU: 9582.1, 0.00289426/step Wall: 9582.1, 0.00289426/step, 1.36609 hours remaining, 208.546875 MB of memory in use. ENERGY: 3300800 710.3166 2104.6820 1922.5368 110.1635 -205772.2849 17630.1995 0.0000 0.0000 34138.0694 -149156.3171 298.1363 -183294.3865 -149063.5596 298.3334 -5.1400 26.8059 558474.1194 -2.4654 -2.2453 PRESSURE: 3301000 15.9785 57.0705 115.201 57.0696 -263.544 -222.524 115.201 -222.523 -110.92 GPRESSURE: 3301000 69.9282 53.1872 107.381 22.8552 -221.769 -338.319 97.7102 -132.623 -111.47 PRESSAVG: 3301000 18.6356 4.81243 -2.23432 4.81245 -30.3219 -27.4842 -2.23431 -27.4841 -2.02078 GPRESSAVG: 3301000 18.8977 3.52853 0.507892 7.07931 -31.0351 -28.6576 -3.70144 -26.5885 -1.43336 TIMING: 3301000 CPU: 9582.68, 0.00290409/step Wall: 9582.68, 0.00290409/step, 1.37057 hours remaining, 208.546875 MB of memory in use. ENERGY: 3301000 725.8287 2095.8625 1964.7722 110.1539 -205889.1513 17607.4767 0.0000 0.0000 34318.5608 -149066.4965 299.7125 -183385.0573 -148974.0880 298.9788 -119.4951 -87.7702 558797.7891 -4.5690 -4.5236 PRESSURE: 3301200 191.351 -17.0828 -279.269 -17.0819 -210.03 44.2771 -279.269 44.278 -5.43209 GPRESSURE: 3301200 218.554 -83.8006 -201.258 37.7699 -160.338 83.4816 -274.242 37.2001 20.4256 PRESSAVG: 3301200 21.3707 15.7599 -32.503 15.76 -41.9802 -25.368 -32.503 -25.3681 -28.6237 GPRESSAVG: 3301200 21.383 13.2412 -33.378 14.6059 -41.5242 -25.717 -31.1441 -24.1319 -28.9042 TIMING: 3301200 CPU: 9583.26, 0.00289515/step Wall: 9583.26, 0.00289515/step, 1.36619 hours remaining, 208.546875 MB of memory in use. ENERGY: 3301200 746.3254 2093.2213 1966.0552 108.1890 -206470.3127 17883.9222 0.0000 0.0000 34537.3663 -149135.2333 301.6234 -183672.5996 -149032.5722 300.0064 -8.0371 26.2136 556450.2010 -16.4111 -16.3485 PRESSURE: 3301400 62.131 98.7946 -173.297 98.7945 -115.631 97.0139 -173.296 97.0143 -381.948 GPRESSURE: 3301400 114.847 69.1054 -104.379 123.649 -53.2546 107.665 -162.128 10.2469 -393.393 PRESSAVG: 3301400 21.6464 41.9549 -30.0335 41.9548 -9.73546 23.1604 -30.0336 23.1603 -16.2941 GPRESSAVG: 3301400 21.3004 43.3013 -30.9688 40.1915 -9.23295 23.0543 -31.4824 22.2357 -16.4556 TIMING: 3301400 CPU: 9583.84, 0.00289695/step Wall: 9583.84, 0.00289695/step, 1.36688 hours remaining, 208.546875 MB of memory in use. ENERGY: 3301400 798.1221 2073.3423 1950.1753 116.5954 -205922.5231 17661.6483 0.0000 0.0000 34234.7863 -149087.8534 298.9809 -183322.6397 -148999.5151 299.5568 -145.1493 -110.6003 556274.8029 -1.4611 -1.4627 PRESSURE: 3301600 340.79 -17.4131 -83.9217 -17.4127 -198.238 73.4253 -83.9215 73.425 119.838 GPRESSURE: 3301600 327.95 -43.1258 -13.6094 7.18362 -140.089 54.9164 -123.322 43.7032 164.328 PRESSAVG: 3301600 -4.62474 18.3184 25.5348 18.3184 42.1976 19.6339 25.5348 19.6339 -49.2142 GPRESSAVG: 3301600 -4.67569 18.477 25.4416 19.8326 42.2228 19.8696 27.307 19.0932 -49.6506 TIMING: 3301600 CPU: 9584.42, 0.00289936/step Wall: 9584.42, 0.00289936/step, 1.36785 hours remaining, 208.546875 MB of memory in use. ENERGY: 3301600 747.5181 2125.2947 1972.2377 102.2965 -206365.7790 17825.6004 0.0000 0.0000 34401.4850 -149191.3465 300.4367 -183592.8315 -149101.5454 299.5752 87.4633 117.3965 556110.0087 -3.8804 -4.0345 PRESSURE: 3301800 -119.029 10.8387 198.833 10.8394 90.5927 -24.1235 198.833 -24.1226 -67.5221 GPRESSURE: 3301800 -80.5399 61.0939 180.204 64.9585 125.493 -58.1261 180.349 19.9415 -55.2484 PRESSAVG: 3301800 60.8 10.058 -76.4968 10.058 -6.67433 64.0528 -76.4968 64.0528 -40.1011 GPRESSAVG: 3301800 60.9331 8.96503 -75.0782 11.5363 -5.83664 63.3123 -78.3683 64.7497 -40.8918 TIMING: 3301800 CPU: 9584.99, 0.00288392/step Wall: 9584.99, 0.00288392/step, 1.36041 hours remaining, 208.546875 MB of memory in use. ENERGY: 3301800 779.9131 2056.6137 1972.1898 114.2195 -206332.8980 17897.1875 0.0000 0.0000 34240.2215 -149272.5528 299.0284 -183512.7744 -149173.2529 298.6497 -31.9862 -3.4316 557287.6667 4.6749 4.7349 PRESSURE: 3302000 84.0237 -197.833 -49.0069 -197.832 -55.0585 64.1379 -49.0063 64.1375 -195.732 GPRESSURE: 3302000 111.52 -156.684 54.2127 -271.323 -9.55658 119.24 -84.1569 57.2667 -164.128 PRESSAVG: 3302000 44.3081 -13.8692 12.5289 -13.8693 -21.6624 48.2561 12.5289 48.2562 -14.9165 GPRESSAVG: 3302000 43.9103 -12.2788 10.5141 -17.7844 -22.1323 48.7419 13.5988 46.7363 -13.6429 TIMING: 3302000 CPU: 9585.57, 0.00289842/step Wall: 9585.57, 0.00289842/step, 1.36709 hours remaining, 208.546875 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: 3302000 770.2050 2125.6027 1994.9993 112.2243 -206017.2903 17684.0204 0.0000 0.0000 34167.6611 -149162.5776 298.3947 -183330.2386 -149068.4256 299.0859 -55.5889 -20.7215 555494.9415 2.5764 2.7117 PRESSURE: 3302200 -378.228 7.85684 -141.933 7.85713 -10.5821 113.331 -141.933 113.33 -249.436 GPRESSURE: 3302200 -323.551 -52.4708 -63.5416 44.8814 -17.894 51.0893 -147.935 70.0607 -198.368 PRESSAVG: 3302200 -21.1173 -20.1731 -65.1766 -20.1731 52.8547 52.122 -65.1766 52.1221 -31.9714 GPRESSAVG: 3302200 -22.2068 -20.4809 -64.4132 -18.5805 53.586 50.392 -65.8612 50.829 -31.9646 TIMING: 3302200 CPU: 9586.15, 0.00289948/step Wall: 9586.15, 0.00289948/step, 1.36743 hours remaining, 208.546875 MB of memory in use. ENERGY: 3302200 745.4426 2102.8267 1938.7306 111.4724 -205630.5159 17402.3824 0.0000 0.0000 34270.3724 -149059.2887 299.2917 -183329.6610 -148963.8510 300.2350 -212.7485 -179.9380 558518.9523 -0.0780 -0.1952 PRESSURE: 3302400 -140.694 -35.4751 8.56654 -35.4749 -17.3231 46.7213 8.56565 46.7206 -48.6578 GPRESSURE: 3302400 -118.475 -85.5772 74.689 -52.6556 27.4798 69.4061 -90.5894 16.1737 -15.8558 PRESSAVG: 3302400 -2.68266 -64.4539 -42.3847 -64.454 5.48874 1.03899 -42.3847 1.03905 50.9338 GPRESSAVG: 3302400 -1.82357 -64.4628 -41.312 -64.8122 5.12245 2.29183 -42.3504 4.67911 49.8802 TIMING: 3302400 CPU: 9586.73, 0.00288549/step Wall: 9586.73, 0.00288549/step, 1.36067 hours remaining, 208.546875 MB of memory in use. ENERGY: 3302400 771.4593 2047.6566 1971.7663 104.0922 -205941.1897 17632.9724 0.0000 0.0000 34343.5997 -149069.6432 299.9312 -183413.2429 -148975.2399 299.4271 -68.8916 -35.6170 557223.0498 17.9133 17.7264 PRESSURE: 3302600 74.5141 32.0249 70.6054 32.0253 0.00852774 -130.255 70.6054 -130.255 -20.6835 GPRESSURE: 3302600 108.933 -61.521 -34.9232 -19.7336 41.4098 -58.0522 120.16 -124.142 -6.64951 PRESSAVG: 3302600 7.21471 -41.5324 -33.9394 -41.5325 54.107 14.4931 -33.9393 14.493 -16.5088 GPRESSAVG: 3302600 7.48051 -42.7127 -35.1849 -41.2056 53.9768 15.3024 -34.092 11.8255 -16.9605 TIMING: 3302600 CPU: 9587.3, 0.00287168/step Wall: 9587.3, 0.00287168/step, 1.354 hours remaining, 208.546875 MB of memory in use. ENERGY: 3302600 761.8120 2112.3945 1974.0879 102.3197 -206108.9575 17731.7452 0.0000 0.0000 34332.2899 -149094.3083 299.8324 -183426.5982 -149001.4436 299.0201 17.9464 47.8978 557748.5200 14.9376 14.8323 PRESSURE: 3302800 -83.3352 -29.9862 -129.293 -29.9869 139.716 -31.8499 -129.294 -31.8498 176.249 GPRESSURE: 3302800 -42.09 -20.3968 -108.326 -60.4725 167.861 47.5768 -121.571 -14.2959 207.389 PRESSAVG: 3302800 26.1578 6.29845 -40.704 6.29839 5.15508 17.1889 -40.704 17.189 -39.9271 GPRESSAVG: 3302800 25.5245 7.12183 -39.6718 7.8684 5.22664 15.5992 -41.4465 18.1577 -39.7425 TIMING: 3302800 CPU: 9587.88, 0.00289322/step Wall: 9587.88, 0.00289322/step, 1.36399 hours remaining, 208.781250 MB of memory in use. ENERGY: 3302800 730.2290 2052.3729 1961.8544 119.5013 -206297.4945 17915.7788 0.0000 0.0000 34443.6618 -149074.0963 300.8051 -183517.7581 -148973.5855 299.6629 77.5432 111.0535 557816.7473 -2.8714 -2.9971 PRESSURE: 3303000 75.971 49.8747 49.2685 49.8739 -178.814 17.4371 49.2679 17.4403 -208.549 GPRESSURE: 3303000 143.589 74.0596 14.4707 98.696 -173.508 -4.6969 63.3056 13.1609 -171.821 PRESSAVG: 3303000 2.58352 -2.29813 -15.6682 -2.29814 25.4862 -32.0812 -15.6682 -32.0811 -25.3756 GPRESSAVG: 3303000 1.72527 -3.59833 -17.9571 -1.34025 25.2691 -33.0439 -14.3703 -30.4551 -24.5998 TIMING: 3303000 CPU: 9588.46, 0.00290157/step Wall: 9588.46, 0.00290157/step, 1.36777 hours remaining, 208.781250 MB of memory in use. ENERGY: 3303000 822.3855 2081.2880 1962.1206 113.7490 -206054.4695 17856.1939 0.0000 0.0000 34294.8918 -148923.8408 299.5058 -183218.7325 -148824.9799 299.0283 -103.7974 -67.2469 559101.2277 0.8980 0.7982 PRESSURE: 3303200 197.489 -97.1458 -135.53 -97.1458 -25.3416 -65.9168 -135.529 -65.9149 -267.947 GPRESSURE: 3303200 219.151 85.326 -120.083 -184.97 -1.37034 -21.542 -106.719 -102.689 -229.082 PRESSAVG: 3303200 80.1486 47.515 -19.7109 47.515 61.91 32.816 -19.7109 32.816 -126.504 GPRESSAVG: 3303200 80.9086 50.138 -19.8404 45.8052 61.1995 35.5409 -18.0794 31.756 -126.878 TIMING: 3303200 CPU: 9589.04, 0.00290516/step Wall: 9589.04, 0.00290516/step, 1.3693 hours remaining, 208.781250 MB of memory in use. ENERGY: 3303200 698.9985 2115.9182 1943.5491 112.3928 -205839.1143 17603.8709 0.0000 0.0000 34331.7235 -149032.6612 299.8275 -183364.3848 -148935.6650 299.4399 -31.9332 -3.7672 558509.7340 5.1849 5.0768 PRESSURE: 3303400 100.019 -2.20898 21.5246 -2.2083 79.8151 -29.868 21.5253 -29.8669 81.2229 GPRESSURE: 3303400 154.092 -33.0612 -44.0439 49.8753 100.912 -67.803 -9.19058 11.3037 84.8483 PRESSAVG: 3303400 -9.73994 -6.06226 -27.3344 -6.06236 56.4489 -31.6479 -27.3343 -31.6479 -27.9688 GPRESSAVG: 3303400 -9.1801 -7.17296 -25.504 -5.25292 56.2552 -32.225 -30.1655 -31.9241 -28.348 TIMING: 3303400 CPU: 9589.62, 0.00290424/step Wall: 9589.62, 0.00290424/step, 1.3687 hours remaining, 208.781250 MB of memory in use. ENERGY: 3303400 724.0111 2079.3075 1973.8489 118.9667 -206462.6183 18022.7987 0.0000 0.0000 34412.3056 -149131.3798 300.5312 -183543.6854 -149040.0353 299.1566 87.0189 113.2840 557184.5958 6.2467 6.2424 PRESSURE: 3303600 -225.947 121.495 60.2969 121.496 -187.62 -46.6914 60.2948 -46.6913 -54.6699 GPRESSURE: 3303600 -171.857 151.931 57.6161 35.516 -198.471 -12.5034 75.6332 -68.5166 -1.26863 PRESSAVG: 3303600 -11.0094 36.9013 -15.0906 36.9012 23.8626 -0.347675 -15.0906 -0.347548 -1.25401 GPRESSAVG: 3303600 -10.4127 36.3383 -16.0888 35.3574 23.4488 -0.037889 -14.2164 0.0514468 -1.33901 TIMING: 3303600 CPU: 9590.21, 0.0029113/step Wall: 9590.21, 0.0029113/step, 1.37187 hours remaining, 208.781250 MB of memory in use. ENERGY: 3303600 731.6153 2085.2093 1943.2451 103.5664 -205873.2476 17701.9334 0.0000 0.0000 34345.1838 -148962.4943 299.9450 -183307.6781 -148869.0820 299.8020 -156.0790 -123.8655 558703.7933 3.8664 3.8990 PRESSURE: 3303800 -23.148 139.153 97.8614 139.152 -4.86577 -56.5057 97.8618 -56.5036 -106.121 GPRESSURE: 3303800 73.1224 13.4822 122.791 89.2498 -7.47243 -25.5182 23.7046 -21.0163 -101.004 PRESSAVG: 3303800 17.5242 -16.5893 8.84263 -16.5893 61.8563 14.9279 8.84264 14.9279 -120.581 GPRESSAVG: 3303800 17.6737 -17.1976 9.25547 -15.1922 61.9006 13.299 9.34487 15.9571 -120.509 TIMING: 3303800 CPU: 9590.78, 0.00288611/step Wall: 9590.78, 0.00288611/step, 1.35984 hours remaining, 208.781250 MB of memory in use. ENERGY: 3303800 734.9613 2079.6826 1932.0618 114.8523 -205954.1874 17824.8490 0.0000 0.0000 34128.7378 -149139.0427 298.0548 -183267.7805 -149041.8379 299.2706 -44.7117 -11.7847 557809.5640 -13.7335 -13.6450 PRESSURE: 3304000 -78.1339 37.7498 -31.2474 37.7502 242.779 51.1445 -31.2471 51.1441 -43.7242 GPRESSURE: 3304000 8.3493 84.7487 -49.7226 55.8341 220.141 80.9131 -2.63323 32.4976 -23.8021 PRESSAVG: 3304000 -15.2594 6.28486 7.5969 6.28489 73.6891 -27.4264 7.59689 -27.4264 -56.505 GPRESSAVG: 3304000 -16.8806 8.76358 9.74814 5.30971 74.4457 -26.5459 6.37326 -27.8484 -55.8065 TIMING: 3304000 CPU: 9591.37, 0.00291145/step Wall: 9591.37, 0.00291145/step, 1.37162 hours remaining, 208.781250 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: 3304000 724.9192 2098.1192 1952.3961 103.1310 -206030.2120 17833.4610 0.0000 0.0000 34257.7372 -149060.4483 299.1813 -183318.1855 -148954.8460 299.5533 40.3068 68.2293 558539.0904 0.6416 0.5862 PRESSURE: 3304200 -40.3155 -174.78 -45.6861 -174.779 208.762 122.708 -45.6853 122.708 -154.288 GPRESSURE: 3304200 -23.7616 -156.347 -38.0684 -111.451 246.649 119.275 -40.9333 168.999 -120.735 PRESSAVG: 3304200 40.1425 17.5267 -8.14715 17.5267 45.184 22.2321 -8.14706 22.2321 -88.1476 GPRESSAVG: 3304200 40.4936 16.5754 -9.34705 18.5788 45.0053 20.6741 -6.60372 22.9514 -88.1023 TIMING: 3304200 CPU: 9591.94, 0.00289074/step Wall: 9591.94, 0.00289074/step, 1.3617 hours remaining, 208.781250 MB of memory in use. ENERGY: 3304200 741.7204 2124.3510 1983.9137 111.8228 -206550.5030 17962.0351 0.0000 0.0000 34353.3814 -149273.2785 300.0166 -183626.6599 -149184.1244 299.4732 4.7196 34.0508 556731.9189 -0.9404 -0.8678 LDB: ============= START OF LOAD BALANCING ============== 9595.41 LDB: ============== END OF LOAD BALANCING =============== 9595.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.41 LDB: ============= START OF LOAD BALANCING ============== 9595.7 LDB: Largest compute 4820 load 0.028098 is 23.8% of average load 0.117832 LDB: Average compute 0.001711 is 1.5% of average load 0.117832 LDB: TIME 9595.7 LOAD: AVG 0.117832 MAX 0.180989 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 9595.7 LOAD: AVG 0.117832 MAX 0.180989 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 9595.7 LOAD: AVG 0.117832 MAX 0.180989 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9595.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9595.71 PRESSURE: 3304400 -70.9206 107.585 -106.747 107.585 369.947 128.102 -106.747 128.102 -155.116 GPRESSURE: 3304400 12.5366 166.304 -94.5501 60.5841 357.611 135.107 -173.473 96.3623 -138.684 PRESSAVG: 3304400 25.2735 -56.0221 -37.8677 -56.0221 53.7622 42.9814 -37.8675 42.9814 -64.0787 GPRESSAVG: 3304400 26.1957 -57.1714 -38.7709 -58.4585 53.3782 44.0166 -38.7857 40.2055 -64.3527 TIMING: 3304400 CPU: 9592.53, 0.00295404/step Wall: 9592.53, 0.00295404/step, 1.39135 hours remaining, 205.941406 MB of memory in use. ENERGY: 3304400 752.0541 2103.9655 1969.4593 105.0082 -206370.9161 18003.7123 0.0000 0.0000 34172.1819 -149264.5348 298.4342 -183436.7167 -149168.6773 298.8542 47.9703 77.1545 557207.3137 4.9857 5.0737 PRESSURE: 3304600 210.003 -120.288 -111.729 -120.29 290.202 46.8423 -111.729 46.8426 91.8256 GPRESSURE: 3304600 264.297 -88.8836 -75.173 -54.0482 309.67 40.452 -136.095 70.5024 116.779 PRESSAVG: 3304600 -4.03237 -88.2742 -87.6286 -88.2742 42.9782 55.5183 -87.6286 55.5182 -56.164 GPRESSAVG: 3304600 -3.97361 -85.6606 -88.5834 -88.0236 43.5607 55.8241 -87.983 57.1415 -56.3209 TIMING: 3304600 CPU: 9593.12, 0.00290599/step Wall: 9593.12, 0.00290599/step, 1.36856 hours remaining, 206.402344 MB of memory in use. ENERGY: 3304600 719.3958 2042.0371 1965.4852 115.5207 -206328.1868 17966.1796 0.0000 0.0000 34270.4670 -149249.1013 299.2925 -183519.5682 -149148.7341 299.4804 197.3436 230.2489 556586.5680 -5.7394 -5.5779 PRESSURE: 3304800 50.3493 -153.031 5.79551 -153.031 180.492 -32.9671 5.79515 -32.9674 -184.818 GPRESSURE: 3304800 84.834 -133.211 -28.093 -197.81 222.293 29.9293 -17.0176 -52.9681 -172.104 PRESSAVG: 3304800 -39.9832 -5.56007 -32.7264 -5.56009 13.6247 39.1285 -32.7264 39.1284 36.7815 GPRESSAVG: 3304800 -39.8627 -6.31039 -30.2201 -5.03729 14.857 39.6776 -33.5687 37.6072 35.1441 TIMING: 3304800 CPU: 9593.7, 0.00290582/step Wall: 9593.7, 0.00290582/step, 1.36832 hours remaining, 206.402344 MB of memory in use. ENERGY: 3304800 733.4150 2056.8662 1975.6359 101.1070 -206166.2188 17940.2586 0.0000 0.0000 34141.3969 -149217.5392 298.1653 -183358.9361 -149114.2033 299.6581 15.3411 45.0079 558147.3165 3.4744 3.3795 PRESSURE: 3305000 -68.9388 -120.468 48.7838 -120.468 -21.9172 -82.7024 48.7847 -82.7014 -165.329 GPRESSURE: 3305000 -83.4126 -139.905 22.7176 -149.662 35.1148 -135.538 102.819 -108.643 -116.18 PRESSAVG: 3305000 -45.6982 -19.2232 50.4934 -19.2233 71.6372 -14.1159 50.4934 -14.116 -27.2695 GPRESSAVG: 3305000 -46.3671 -20.7677 48.5632 -19.9162 71.086 -16.3455 51.1179 -12.0766 -25.8864 TIMING: 3305000 CPU: 9594.28, 0.00289981/step Wall: 9594.28, 0.00289981/step, 1.36533 hours remaining, 206.402344 MB of memory in use. ENERGY: 3305000 751.1477 2075.1342 1947.8681 114.8789 -206386.5157 17940.4229 0.0000 0.0000 34219.4850 -149337.5790 298.8473 -183557.0640 -149244.5204 297.9904 -85.3950 -54.8259 558715.3324 -0.4435 -0.3892 PRESSURE: 3305200 -286.308 -121.465 -14.252 -121.466 -268.515 40.7111 -14.2534 40.7111 -70.8947 GPRESSURE: 3305200 -284.314 -72.4783 4.0589 -200.407 -181.799 78.6685 28.1872 40.8025 -58.1253 PRESSAVG: 3305200 -10.5785 -2.506 48.3578 -2.50607 1.44443 -16.1761 48.3579 -16.1761 -17.221 GPRESSAVG: 3305200 -10.6586 -1.51478 48.2782 -0.252976 1.86432 -14.6441 48.8317 -19.1444 -17.8192 TIMING: 3305200 CPU: 9594.86, 0.00289974/step Wall: 9594.86, 0.00289974/step, 1.36513 hours remaining, 206.402344 MB of memory in use. ENERGY: 3305200 699.2318 2077.5697 1973.5684 108.1343 -205801.3560 17468.2939 0.0000 0.0000 34102.5928 -149371.9650 297.8264 -183474.5579 -149276.6430 298.2137 -208.5726 -174.7461 559674.3752 -8.7850 -8.8712 PRESSURE: 3305400 284.401 -46.8463 -45.071 -46.8457 289.186 1.3472 -45.072 1.34641 -106.977 GPRESSURE: 3305400 324.74 -92.7677 -13.9058 50.4456 295.795 28.3519 -11.1237 52.4088 -52.7194 PRESSAVG: 3305400 39.023 -52.8016 -21.1046 -52.8016 -2.93096 6.55873 -21.1046 6.55879 -27.6296 GPRESSAVG: 3305400 39.4118 -53.2545 -19.3118 -52.5863 -3.51231 5.15429 -22.9686 8.36135 -27.7116 TIMING: 3305400 CPU: 9595.44, 0.00290414/step Wall: 9595.44, 0.00290414/step, 1.36704 hours remaining, 206.402344 MB of memory in use. ENERGY: 3305400 724.5256 2097.2793 1955.1758 111.0016 -206670.0563 18248.4745 0.0000 0.0000 34251.7997 -149281.7997 299.1295 -183533.5994 -149184.2286 298.3452 155.5366 189.2717 558444.5968 2.8208 2.7293 PRESSURE: 3305600 66.3056 90.3978 88.2283 90.3979 -68.7459 38.266 88.2266 38.2652 34.4319 GPRESSURE: 3305600 114.636 131.048 21.4327 53.9582 -12.2775 -7.37836 133.083 75.5113 27.9345 PRESSAVG: 3305600 -9.92134 53.1922 -23.7221 53.1923 50.7439 -11.726 -23.7221 -11.726 -6.85582 GPRESSAVG: 3305600 -9.57944 54.9809 -23.3604 50.3678 50.6578 -9.41364 -22.7375 -12.5023 -6.80569 TIMING: 3305600 CPU: 9596.01, 0.00288104/step Wall: 9596.01, 0.00288104/step, 1.35601 hours remaining, 206.468750 MB of memory in use. ENERGY: 3305600 755.3677 2092.4066 1961.3629 120.8843 -206462.9030 17937.7970 0.0000 0.0000 34143.8292 -149451.2553 298.1866 -183595.0845 -149353.7674 297.7835 10.6639 43.4311 556371.6077 11.3222 11.4242 PRESSURE: 3305800 225.764 183.048 -67.1795 183.048 -185.985 -43.4946 -67.179 -43.4945 -220.587 GPRESSURE: 3305800 244.377 109.007 -98.0694 223.792 -158.776 33.0533 -119.188 -69.2169 -157.771 PRESSAVG: 3305800 23.1857 31.3027 18.7131 31.3028 4.2147 -43.0992 18.7131 -43.0992 -36.5964 GPRESSAVG: 3305800 22.1602 29.7711 16.5148 32.7419 4.50105 -43.5791 19.7798 -44.7154 -36.2499 TIMING: 3305800 CPU: 9596.6, 0.0029073/step Wall: 9596.6, 0.0029073/step, 1.36821 hours remaining, 206.468750 MB of memory in use. ENERGY: 3305800 733.8727 2155.7217 1957.8625 100.9837 -206333.9366 17741.6684 0.0000 0.0000 34179.6065 -149464.2211 298.4990 -183643.8276 -149365.2891 298.3253 -60.2692 -24.0566 558397.4377 -3.0653 -3.1962 PRESSURE: 3306000 -220.219 30.5653 172.958 30.5648 -215.519 -91.3461 172.957 -91.3474 -152.203 GPRESSURE: 3306000 -165.524 33.5827 202.089 -0.334748 -173.668 -185.547 157.373 -103.883 -146.989 PRESSAVG: 3306000 -34.6894 49.7732 27.2775 49.7732 -31.97 10.4477 27.2775 10.4477 -14.5163 GPRESSAVG: 3306000 -33.6992 50.6405 27.3138 49.3953 -32.1261 7.31634 26.6249 14.3937 -15.2827 TIMING: 3306000 CPU: 9597.18, 0.00290982/step Wall: 9597.18, 0.00290982/step, 1.36923 hours remaining, 206.468750 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: 3306000 765.2261 2055.5913 1942.7806 92.4585 -206068.2685 17562.8040 0.0000 0.0000 34068.0231 -149581.3849 297.5245 -183649.4080 -149483.4848 298.1021 -195.9803 -162.0601 558332.2283 -27.0586 -27.0360 PRESSURE: 3306200 -389.268 -141.02 -72.7212 -141.021 201.919 157.241 -72.721 157.241 -187.51 GPRESSURE: 3306200 -428.815 -101.649 14.7811 -90.0223 254.973 179.19 -40.1653 157.443 -100.047 PRESSAVG: 3306200 -43.4182 24.0953 39.5764 24.0953 50.9662 6.72409 39.5763 6.72423 4.87579 GPRESSAVG: 3306200 -43.2748 22.2952 41.1317 24.0681 50.4356 9.34135 39.9407 3.55558 5.50317 TIMING: 3306200 CPU: 9597.76, 0.00289357/step Wall: 9597.76, 0.00289357/step, 1.36142 hours remaining, 206.468750 MB of memory in use. ENERGY: 3306200 725.4643 2075.4295 1961.9389 99.4259 -206530.8129 17774.3396 0.0000 0.0000 34299.0624 -149595.1522 299.5422 -183894.2146 -149498.4804 298.3064 -124.9530 -91.2966 556654.1840 4.1413 4.2213 PRESSURE: 3306400 -124.526 53.5189 17.3703 53.5182 -164.017 2.73393 17.3707 2.73497 -315.055 GPRESSURE: 3306400 -109.217 15.8271 -38.4195 36.7643 -168.233 26.3157 99.2387 -39.2992 -253.317 PRESSAVG: 3306400 -71.2006 7.18295 -23.6366 7.1829 98.9972 -36.2087 -23.6366 -36.2086 -8.13209 GPRESSAVG: 3306400 -72.0964 6.16359 -25.3598 8.64134 100.597 -36.0262 -22.9539 -35.0665 -9.25944 TIMING: 3306400 CPU: 9598.34, 0.00292385/step Wall: 9598.34, 0.00292385/step, 1.37551 hours remaining, 206.468750 MB of memory in use. ENERGY: 3306400 758.4670 2058.8597 1964.7392 114.6181 -206107.5278 17577.8464 0.0000 0.0000 34242.0210 -149390.9763 299.0441 -183632.9973 -149290.4450 298.9002 -201.1995 -176.9221 557920.4481 6.5548 6.4138 PRESSURE: 3306600 10.1101 83.5948 82.3257 83.5949 84.9535 48.6637 82.3264 48.664 -24.7636 GPRESSURE: 3306600 8.06389 14.9716 92.9551 124.419 203.134 -134.437 27.9082 129.137 -42.5156 PRESSAVG: 3306600 20.8357 -25.5847 42.4639 -25.5847 -52.0726 13.0954 42.4638 13.0956 32.3798 GPRESSAVG: 3306600 22.081 -23.8361 43.2011 -26.0772 -52.1113 10.7389 42.228 13.2308 31.7198 TIMING: 3306600 CPU: 9598.93, 0.00294124/step Wall: 9598.93, 0.00294124/step, 1.38353 hours remaining, 206.468750 MB of memory in use. ENERGY: 3306600 782.9127 2047.0674 1952.2133 121.3450 -206016.9785 17721.0489 0.0000 0.0000 34069.8985 -149322.4927 297.5409 -183392.3912 -149234.7262 298.8504 23.4333 56.2274 555330.3323 0.3810 0.5631 PRESSURE: 3306800 366.328 -131.591 -176.057 -131.59 11.4032 -166.354 -176.056 -166.356 -88.8203 GPRESSURE: 3306800 388.725 -86.2806 -209.348 -78.4538 73.4101 -155.717 -164.887 -159.253 -74.6921 PRESSAVG: 3306800 9.55607 0.146478 -42.2496 0.146365 57.8647 34.5934 -42.2496 34.5933 -54.2665 GPRESSAVG: 3306800 8.00476 2.41538 -43.7755 -0.497777 57.4571 36.9158 -41.5992 33.9586 -51.997 TIMING: 3306800 CPU: 9599.51, 0.00292421/step Wall: 9599.51, 0.00292421/step, 1.37535 hours remaining, 206.468750 MB of memory in use. ENERGY: 3306800 719.1262 2021.5428 1955.3853 120.3558 -206180.0606 17835.3308 0.0000 0.0000 34173.6366 -149354.6832 298.4469 -183528.3198 -149258.3074 298.6213 96.3037 129.1477 557041.3585 4.3847 4.4883 PRESSURE: 3307000 -136.581 -170.688 114.62 -170.687 131.538 67.2306 114.62 67.2313 115.552 GPRESSURE: 3307000 -91.1109 -152.074 129.322 -220.905 124.091 48.1834 20.3281 126.608 162.379 PRESSAVG: 3307000 11.0904 -54.47 -0.247284 -54.47 30.3711 45.4214 -0.247272 45.4214 -43.2022 GPRESSAVG: 3307000 11.6933 -56.6351 -0.407362 -53.9997 30.7238 44.3591 1.27402 46.3734 -44.8848 TIMING: 3307000 CPU: 9600.1, 0.00293139/step Wall: 9600.1, 0.00293139/step, 1.37857 hours remaining, 206.468750 MB of memory in use. ENERGY: 3307000 742.7899 2125.1967 1957.3135 109.4105 -206150.3741 17811.4657 0.0000 0.0000 34148.7392 -149255.4585 298.2294 -183404.1977 -149157.0333 298.6174 36.8365 65.1195 557296.1008 -0.5802 -0.8226 PRESSURE: 3307200 -43.3119 179.132 -46.7047 179.132 133.633 -28.1283 -46.7038 -28.1283 -10.5414 GPRESSURE: 3307200 -21.1535 179.717 -117.624 126.604 158.982 -65.8848 -25.5966 -100.784 49.4753 PRESSAVG: 3307200 28.9919 -30.1851 -20.412 -30.1851 32.9804 56.5909 -20.4119 56.5908 11.6325 GPRESSAVG: 3307200 28.3331 -31.8001 -19.1332 -27.9081 32.2369 58.4786 -23.127 55.5831 12.728 TIMING: 3307200 CPU: 9600.68, 0.00291216/step Wall: 9600.68, 0.00291216/step, 1.36936 hours remaining, 206.468750 MB of memory in use. ENERGY: 3307200 758.3321 2080.9792 1945.1108 116.9853 -206337.1927 17888.6579 0.0000 0.0000 34370.0883 -149177.0391 300.1625 -183547.1274 -149090.4070 298.7940 26.5932 62.4345 556794.7829 24.5349 24.4327 PRESSURE: 3307400 -82.1581 -9.10823 47.5463 -9.10766 84.2662 -242.573 47.5474 -242.572 -54.5872 GPRESSURE: 3307400 -13.015 31.1751 60.2769 -3.67171 85.2839 -255.263 102.476 -228.207 -35.3579 PRESSAVG: 3307400 -43.3067 -20.9824 1.65502 -20.9823 78.7859 -74.6282 1.65508 -74.6283 -9.80501 GPRESSAVG: 3307400 -43.6004 -20.6517 1.31141 -22.0801 78.7596 -76.4587 2.83517 -75.1345 -9.74574 TIMING: 3307400 CPU: 9601.26, 0.00290592/step Wall: 9601.26, 0.00290592/step, 1.36627 hours remaining, 206.468750 MB of memory in use. ENERGY: 3307400 752.2036 2067.4170 1983.0162 110.6047 -206423.1629 17945.5283 0.0000 0.0000 34293.1864 -149271.2067 299.4909 -183564.3931 -149177.6691 299.5745 -17.4930 12.3037 557653.4184 8.5581 8.4711 PRESSURE: 3307600 244.229 -118.168 -29.1989 -118.167 -62.361 83.6703 -29.1983 83.6714 -82.9194 GPRESSURE: 3307600 252.624 -115.835 -26.2923 -125.257 -68.9628 86.0274 -70.4525 83.8243 6.62654 PRESSAVG: 3307600 -26.664 -29.6028 -7.66046 -29.6029 20.3403 -29.8676 -7.66043 -29.8676 1.1838 GPRESSAVG: 3307600 -25.6347 -29.8232 -6.37418 -29.5772 21.4104 -28.9992 -10.2381 -30.9953 -0.919922 TIMING: 3307600 CPU: 9601.85, 0.0029162/step Wall: 9601.85, 0.0029162/step, 1.37094 hours remaining, 206.468750 MB of memory in use. ENERGY: 3307600 755.0109 2072.5595 1948.0284 113.7688 -206200.6701 17929.7220 0.0000 0.0000 34265.9126 -149115.6679 299.2527 -183381.5805 -149021.8108 299.2760 32.9830 63.4292 557446.2870 -1.7133 -1.7147 PRESSURE: 3307800 -176.347 -29.2711 -35.9011 -29.2719 106.573 244.134 -35.9004 244.135 -9.41727 GPRESSURE: 3307800 -133.176 -91.7386 45.3957 67.8074 100.993 240.585 -49.5659 223.635 55.8796 PRESSAVG: 3307800 18.3963 -8.76634 -9.2369 -8.76637 20.5896 15.1576 -9.23696 15.1576 -80.8599 GPRESSAVG: 3307800 19.0551 -5.87394 -10.2559 -10.0053 20.386 15.4108 -6.5687 14.6493 -80.798 TIMING: 3307800 CPU: 9602.43, 0.00292197/step Wall: 9602.43, 0.00292197/step, 1.37349 hours remaining, 206.468750 MB of memory in use. ENERGY: 3307800 744.2312 2080.8899 1941.4373 115.2624 -206243.3866 17832.7684 0.0000 0.0000 34269.4342 -149259.3632 299.2835 -183528.7974 -149165.8096 299.1833 -26.3970 7.8990 557472.5856 -13.9580 -13.7856 PRESSURE: 3308000 -226.187 -57.1745 -42.3775 -57.1751 -51.0699 100.346 -42.378 100.348 -155.723 GPRESSURE: 3308000 -159.647 -78.7599 -74.8314 35.4426 -58.9342 48.3294 -106.871 62.3423 -101.279 PRESSAVG: 3308000 -13.0109 4.73563 19.5261 4.73565 -0.588143 44.1842 19.5261 44.1842 53.4654 GPRESSAVG: 3308000 -13.8718 3.46439 18.5003 6.18557 -0.571726 42.1792 19.4552 47.8416 55.369 TIMING: 3308000 CPU: 9603.02, 0.00293742/step Wall: 9603.02, 0.00293742/step, 1.38059 hours remaining, 206.468750 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: 3308000 771.6411 2129.5672 1954.9857 103.9161 -205957.3680 17781.1437 0.0000 0.0000 33983.3749 -149232.7394 296.7853 -183216.1142 -149132.1847 299.4077 -144.3266 -106.6200 558707.7139 13.2888 13.6418 PRESSURE: 3308200 -129.091 188.823 -31.9416 188.823 67.8073 136.723 -31.9415 136.721 -85.0523 GPRESSURE: 3308200 -81.164 175.019 -84.9152 184.556 47.2798 175.347 -9.53655 44.1563 -5.12404 PRESSAVG: 3308200 -11.8128 22.1786 13.3397 22.1785 7.69844 65.5672 13.3399 65.5672 -7.42802 GPRESSAVG: 3308200 -12.8447 22.1841 14.3421 21.1603 9.40986 67.2913 13.6602 63.8139 -8.0075 TIMING: 3308200 CPU: 9603.6, 0.00291544/step Wall: 9603.6, 0.00291544/step, 1.37009 hours remaining, 206.535156 MB of memory in use. ENERGY: 3308200 761.1432 2087.4512 1926.3666 114.9289 -206367.5745 17847.1666 0.0000 0.0000 34603.0340 -149027.4840 302.1969 -183630.5180 -148935.8309 299.5139 -48.7787 -13.0028 558997.0395 -3.8475 -3.8141 LDB: ============= START OF LOAD BALANCING ============== 9607.07 LDB: ============== END OF LOAD BALANCING =============== 9607.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.07 LDB: ============= START OF LOAD BALANCING ============== 9607.36 LDB: Largest compute 4820 load 0.027894 is 23.7% of average load 0.117792 LDB: Average compute 0.001719 is 1.5% of average load 0.117792 LDB: TIME 9607.36 LOAD: AVG 0.117792 MAX 0.180399 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 9607.37 LOAD: AVG 0.117792 MAX 0.180399 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: TIME 9607.37 LOAD: AVG 0.117792 MAX 0.180399 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9607.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9607.37 PRESSURE: 3308400 183.163 109.189 -41.0466 109.189 -48.3573 140.393 -41.0456 140.393 -413.791 GPRESSURE: 3308400 207.585 43.9726 -44.5107 181.421 23.8863 115.915 -48.283 121.314 -404.143 PRESSAVG: 3308400 -14.1515 40.6254 1.47174 40.6254 63.3021 -27.9044 1.47178 -27.9044 -27.1739 GPRESSAVG: 3308400 -11.2766 38.9053 3.50041 42.5587 60.6348 -29.0916 0.484825 -25.1152 -27.7841 TIMING: 3308400 CPU: 9604.2, 0.00297068/step Wall: 9604.2, 0.00297068/step, 1.39589 hours remaining, 206.542969 MB of memory in use. ENERGY: 3308400 761.7871 2088.9492 1941.8989 107.3851 -206444.0754 18033.3238 0.0000 0.0000 34386.9886 -149123.7426 300.3101 -183510.7313 -149028.6528 299.8239 -92.9951 -57.5572 558122.9507 7.3256 7.1914 PRESSURE: 3308600 37.1557 -70.0663 40.964 -70.0668 -154.094 25.4022 40.9644 25.4006 40.5881 GPRESSURE: 3308600 64.7633 -81.7043 88.0829 -41.948 -112.705 8.82107 29.0956 -44.0546 57.878 PRESSAVG: 3308600 50.6884 1.03311 -35.1335 1.03308 30.6595 35.4469 -35.1335 35.4468 -50.5189 GPRESSAVG: 3308600 50.0446 1.4812 -35.7453 -1.0051 31.5905 35.9908 -35.0981 32.0735 -50.6831 TIMING: 3308600 CPU: 9604.78, 0.00290658/step Wall: 9604.78, 0.00290658/step, 1.36561 hours remaining, 206.542969 MB of memory in use. ENERGY: 3308600 767.4734 2125.4518 1943.0606 120.7370 -205856.8204 17615.5518 0.0000 0.0000 34234.8377 -149049.7080 298.9814 -183284.5458 -148958.8406 299.4559 -25.4501 3.3122 556425.7607 10.2763 10.3174 PRESSURE: 3308800 100.371 -7.7178 71.037 -7.71871 25.7121 33.4785 71.0371 33.4766 -87.9316 GPRESSURE: 3308800 172.48 -18.4248 -41.3834 -76.5611 66.631 40.072 56.5222 59.9633 -109.854 PRESSAVG: 3308800 48.6681 -3.3471 -9.7014 -3.34718 -50.1754 -21.9183 -9.70134 -21.9184 15.0541 GPRESSAVG: 3308800 48.5739 -2.94107 -11.1615 -2.96208 -50.0562 -23.1638 -8.88993 -20.6181 15.1727 TIMING: 3308800 CPU: 9605.36, 0.00289346/step Wall: 9605.36, 0.00289346/step, 1.35928 hours remaining, 206.542969 MB of memory in use. ENERGY: 3308800 715.8633 2087.4689 1935.4781 119.1327 -205772.5953 17608.3332 0.0000 0.0000 34231.5615 -149074.7577 298.9527 -183306.3192 -148967.2514 299.6776 12.7171 43.0858 556728.6353 4.5156 4.5635 PRESSURE: 3309000 13.579 22.9718 -28.891 22.971 128.719 -58.0534 -28.8904 -58.0555 -110.042 GPRESSURE: 3309000 8.02781 -85.6261 17.8341 84.5589 190.86 -66.2018 -70.9968 -47.8308 -66.8441 PRESSAVG: 3309000 -10.9526 8.49974 11.3713 8.49972 23.2304 40.5428 11.3713 40.5428 0.135163 GPRESSAVG: 3309000 -10.396 9.56274 13.6421 8.00366 23.1484 42.4137 11.5494 39.3315 -0.474044 TIMING: 3309000 CPU: 9605.94, 0.00290284/step Wall: 9605.94, 0.00290284/step, 1.36353 hours remaining, 206.542969 MB of memory in use. ENERGY: 3309000 788.9016 2120.6655 1931.7595 107.5317 -205805.1413 17733.2525 0.0000 0.0000 34176.0842 -148946.9463 298.4682 -183123.0305 -148848.0101 299.9292 10.7520 44.0147 557724.8178 4.1377 4.0928 PRESSURE: 3309200 -88.4125 8.72307 37.7954 8.72473 -156.392 84.4199 37.7966 84.42 313.152 GPRESSURE: 3309200 -65.3931 44.7856 -25.9377 81.677 -104.156 66.1435 33.8331 117.791 319.334 PRESSAVG: 3309200 -49.579 -12.0026 -7.82511 -12.0027 -14.2003 51.2661 -7.82508 51.2661 64.9719 GPRESSAVG: 3309200 -51.1696 -12.4988 -7.73447 -14.2211 -13.8301 51.3858 -8.91834 51.257 66.1139 TIMING: 3309200 CPU: 9606.51, 0.00288851/step Wall: 9606.51, 0.00288851/step, 1.35663 hours remaining, 206.542969 MB of memory in use. ENERGY: 3309200 762.1825 2108.6563 1974.1068 117.6656 -205888.9220 17838.6895 0.0000 0.0000 34245.8457 -148841.7757 299.0775 -183087.6214 -148750.5170 299.8880 22.7824 49.9283 557022.1844 0.3976 0.3714 PRESSURE: 3309400 -33.7921 122.431 -150.182 122.431 -128.033 49.9519 -150.183 49.9516 -89.5041 GPRESSURE: 3309400 38.1603 154.725 -153.787 69.6397 -132.986 60.8009 -145.416 42.4415 -54.9253 PRESSAVG: 3309400 17.6494 -28.8691 2.96524 -28.8691 -37.3637 35.6183 2.96519 35.6183 66.6412 GPRESSAVG: 3309400 19.5186 -29.3804 1.15233 -26.4825 -38.6096 37.468 3.61505 34.7461 65.9016 TIMING: 3309400 CPU: 9607.09, 0.00288045/step Wall: 9607.09, 0.00288045/step, 1.35269 hours remaining, 206.746094 MB of memory in use. ENERGY: 3309400 763.1221 2127.1777 1940.1584 114.0631 -206176.1280 17638.9487 0.0000 0.0000 34650.3087 -148942.3492 302.6098 -183592.6580 -148842.4429 300.7449 -83.7763 -49.9172 557001.0325 15.6423 15.6035 PRESSURE: 3309600 65.4521 -18.8801 33.1208 -18.8808 -54.0303 -1.10132 33.1206 -1.10091 -46.3638 GPRESSURE: 3309600 119.187 -11.3222 13.5474 9.41196 -54.9899 14.5081 -18.3024 -2.23662 -8.32783 PRESSAVG: 3309600 -11.929 0.345765 -19.1583 0.345701 -61.715 17.5658 -19.1583 17.5657 79.3531 GPRESSAVG: 3309600 -13.1936 -0.364572 -18.7637 0.357426 -60.151 16.1276 -19.385 17.5305 79.8367 TIMING: 3309600 CPU: 9607.67, 0.00290446/step Wall: 9607.67, 0.00290446/step, 1.3638 hours remaining, 206.746094 MB of memory in use. ENERGY: 3309600 759.7216 2152.3228 1953.1158 115.0673 -206384.8872 17902.2521 0.0000 0.0000 34403.1318 -149099.2759 300.4511 -183502.4076 -148999.1128 300.3455 -11.6474 18.6232 555089.4446 1.9030 2.1640 PRESSURE: 3309800 -183.328 -12.6382 -10.8917 -12.6384 -46.5397 -42.7979 -10.8919 -42.798 -223.336 GPRESSURE: 3309800 -109.89 -6.90414 -44.3647 35.2684 -51.2196 -20.0996 -42.3099 -10.8304 -196.545 PRESSAVG: 3309800 25.4033 -17.9691 -13.6383 -17.969 1.08561 -7.19157 -13.6384 -7.19159 1.30824 GPRESSAVG: 3309800 25.4323 -18.1834 -12.1226 -17.2757 -0.231212 -6.11205 -13.916 -6.81076 2.52422 TIMING: 3309800 CPU: 9608.25, 0.00288437/step Wall: 9608.25, 0.00288437/step, 1.35421 hours remaining, 206.746094 MB of memory in use. ENERGY: 3309800 769.4687 2066.3238 1956.9505 107.4549 -205764.6426 17633.2790 0.0000 0.0000 34166.7001 -149064.4656 298.3863 -183231.1657 -148969.2035 300.1202 -151.0678 -119.2179 558332.1095 9.2657 9.2418 PRESSURE: 3310000 -116.584 77.1481 181.607 77.147 38.9497 2.98111 181.606 2.97822 -52.4383 GPRESSURE: 3310000 -100.75 -32.0426 120.763 127.45 110.95 7.18995 154.66 -10.1604 -45.0565 PRESSAVG: 3310000 10.7052 86.2166 -7.6947 86.2166 -36.6963 10.1728 -7.69467 10.1728 24.8206 GPRESSAVG: 3310000 10.9245 87.3578 -9.54977 85.1984 -36.7639 6.46665 -8.05177 10.4258 24.5899 TIMING: 3310000 CPU: 9608.82, 0.00287711/step Wall: 9608.82, 0.00287711/step, 1.35064 hours remaining, 206.949219 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: 3310000 760.8176 2105.0164 1937.5957 119.7430 -206252.7955 17828.0625 0.0000 0.0000 34412.6226 -149088.9377 300.5340 -183501.5603 -148990.2400 299.2838 -43.3575 -11.6188 556639.9917 -0.3902 -0.4165 PRESSURE: 3310200 101.192 26.5762 15.2334 26.5767 -65.1477 -1.80606 15.2332 -1.8043 545.292 GPRESSURE: 3310200 95.8951 -37.5066 83.6753 31.5277 3.72847 -72.8337 -33.8009 90.519 583.889 PRESSAVG: 3310200 0.481257 66.755 -15.5471 66.7549 -16.7046 25.7557 -15.5471 25.7558 31.2086 GPRESSAVG: 3310200 0.392343 66.2426 -13.4814 67.5759 -15.8835 29.7091 -15.9043 25.4713 30.2085 TIMING: 3310200 CPU: 9609.39, 0.00285286/step Wall: 9609.39, 0.00285286/step, 1.3391 hours remaining, 206.949219 MB of memory in use. ENERGY: 3310200 794.2768 2164.1175 1943.2303 120.0932 -206408.3654 18165.0060 0.0000 0.0000 34012.3161 -149209.3256 297.0380 -183221.6417 -149114.1174 298.8777 193.7788 227.8376 556740.3025 4.9951 4.9058 PRESSURE: 3310400 89.6246 117.746 -72.6964 117.747 43.0016 -16.5564 -72.6955 -16.5563 -41.4737 GPRESSURE: 3310400 151.119 93.197 -50.2898 84.8146 50.9758 40.4085 -56.3597 41.4764 -4.14179 PRESSAVG: 3310400 -36.4327 51.6622 -40.8468 51.6622 -21.6978 -10.2824 -40.847 -10.2825 37.1852 GPRESSAVG: 3310400 -37.7928 52.001 -41.6034 49.715 -21.7458 -10.7147 -38.3811 -12.3847 39.0202 TIMING: 3310400 CPU: 9609.97, 0.00287363/step Wall: 9609.97, 0.00287363/step, 1.34869 hours remaining, 206.949219 MB of memory in use. ENERGY: 3310400 725.1437 2091.3559 1966.2690 97.9462 -206143.6096 17817.7270 0.0000 0.0000 34129.8866 -149315.2812 298.0648 -183445.1678 -149217.5671 298.1033 30.3842 65.9843 558897.7850 -6.9818 -6.8395 PRESSURE: 3310600 -145.591 22.141 -35.1339 22.1414 -39.9463 93.1116 -35.1338 93.112 -35.8621 GPRESSURE: 3310600 -72.6928 83.6884 -95.0686 -59.1144 9.07284 141.015 4.68422 54.1284 -52.7906 PRESSAVG: 3310600 -8.96506 21.0549 -51.7431 21.055 53.5186 30.7541 -51.7431 30.7541 19.2099 GPRESSAVG: 3310600 -8.19508 18.2274 -50.9781 23.8835 54.8626 30.6296 -54.2884 32.3291 16.8682 TIMING: 3310600 CPU: 9610.55, 0.00288995/step Wall: 9610.55, 0.00288995/step, 1.35619 hours remaining, 206.949219 MB of memory in use. ENERGY: 3310600 723.2484 2073.6231 1959.7618 110.1486 -206192.7829 17774.1422 0.0000 0.0000 34377.2982 -149174.5606 300.2255 -183551.8588 -149076.1793 298.3741 -73.7998 -38.8035 559241.7830 21.2545 21.1786 PRESSURE: 3310800 110.684 -73.3476 -32.1332 -73.3473 -200.144 2.86072 -32.1324 2.86061 140.478 GPRESSURE: 3310800 156.311 -53.0939 -3.27306 -91.3619 -155.498 6.23865 -108.746 56.8953 171.102 PRESSAVG: 3310800 -7.02188 24.0589 -11.1816 24.059 -6.57716 -6.50796 -11.1816 -6.50804 30.9491 GPRESSAVG: 3310800 -6.30412 26.274 -11.8249 21.1526 -8.64728 -9.17515 -10.096 -3.89516 32.4616 TIMING: 3310800 CPU: 9611.13, 0.00289666/step Wall: 9611.13, 0.00289666/step, 1.35918 hours remaining, 206.949219 MB of memory in use. ENERGY: 3310800 755.5469 2119.3636 1937.1838 103.8227 -205898.5272 17812.6694 0.0000 0.0000 34163.7969 -149006.1439 298.3609 -183169.9407 -148908.9897 298.8103 17.0061 57.3051 559127.5045 5.7834 5.8367 PRESSURE: 3311000 -217.001 57.5109 60.373 57.5119 -186.992 202.255 60.373 202.254 -335.852 GPRESSURE: 3311000 -205.408 72.8673 26.5313 58.9128 -207.76 139.23 29.8154 235.937 -231.935 PRESSAVG: 3311000 47.5802 24.0613 -17.4538 24.0614 -62.0212 13.0845 -17.4537 13.0844 -2.96726 GPRESSAVG: 3311000 46.7643 23.3155 -18.5154 27.4355 -60.4989 13.1025 -17.4169 11.6807 -3.2435 TIMING: 3311000 CPU: 9611.71, 0.00289622/step Wall: 9611.71, 0.00289622/step, 1.35881 hours remaining, 206.949219 MB of memory in use. ENERGY: 3311000 761.8156 2083.5149 1970.8293 115.7959 -205586.2338 17487.0778 0.0000 0.0000 34289.5851 -148877.6152 299.4595 -183167.2003 -148783.3932 298.8975 -246.6152 -215.0341 559871.3419 -5.8028 -5.6594 PRESSURE: 3311200 48.6354 45.2503 -35.1161 45.2523 -154.959 -78.8831 -35.1162 -78.8815 -92.1311 GPRESSURE: 3311200 77.4976 -6.02805 -69.8641 91.567 -135.596 -140.888 7.83289 -65.9799 -52.6697 PRESSAVG: 3311200 29.5575 36.8927 -6.91825 36.8926 -78.8699 -5.5466 -6.91827 -5.54659 46.4503 GPRESSAVG: 3311200 29.2764 36.8098 -5.78166 36.5223 -79.199 -4.95126 -7.44876 -5.12067 47.0862 TIMING: 3311200 CPU: 9612.28, 0.00287589/step Wall: 9612.28, 0.00287589/step, 1.34911 hours remaining, 206.949219 MB of memory in use. ENERGY: 3311200 737.4953 2135.5320 1940.0120 115.1157 -206009.4336 17796.3182 0.0000 0.0000 34292.2959 -148992.6645 299.4831 -183284.9604 -148890.7409 299.8399 -66.1515 -36.9227 559499.3744 -0.9540 -0.9455 PRESSURE: 3311400 -51.6661 -65.3706 -58.2117 -65.371 3.0074 -123.22 -58.2116 -123.221 158.4 GPRESSURE: 3311400 -36.5809 -137.009 -31.2397 -39.9404 8.43619 -73.6661 -28.1635 -120.605 221.819 PRESSAVG: 3311400 -8.07915 16.4159 9.57503 16.4159 -0.33891 33.2469 9.57501 33.2469 11.7032 GPRESSAVG: 3311400 -7.95275 16.4708 10.3715 14.5478 -0.0252611 35.2183 10.4282 32.4334 11.3749 TIMING: 3311400 CPU: 9612.85, 0.00286899/step Wall: 9612.85, 0.00286899/step, 1.34572 hours remaining, 206.949219 MB of memory in use. ENERGY: 3311400 721.2558 2056.5597 1979.5760 123.8208 -206186.2025 17819.8348 0.0000 0.0000 34433.3640 -149051.7912 300.7151 -183485.1553 -148953.1839 300.0855 36.5805 64.5582 558150.2002 1.0951 1.1323 PRESSURE: 3311600 -160.307 38.0852 -78.6067 38.0844 -255.94 -63.804 -78.6061 -63.8048 -91.7767 GPRESSURE: 3311600 -128.273 -4.04858 -124.368 49.9945 -157.707 -162.497 -16.5582 -39.3423 -123.675 PRESSAVG: 3311600 32.8359 23.4087 -8.21119 23.4087 -17.656 -32.2154 -8.2112 -32.2153 12.5102 GPRESSAVG: 3311600 33.2119 24.4917 -8.00685 23.6769 -17.3847 -33.179 -9.99951 -31.4436 12.2847 TIMING: 3311600 CPU: 9613.43, 0.00288748/step Wall: 9613.43, 0.00288748/step, 1.35423 hours remaining, 206.949219 MB of memory in use. ENERGY: 3311600 755.8916 2107.6228 1970.0724 102.0185 -205806.6509 17622.9945 0.0000 0.0000 34187.9775 -149060.0735 298.5721 -183248.0511 -148957.5011 299.4315 -169.3415 -136.5516 558653.3282 9.2300 9.3706 PRESSURE: 3311800 -56.9828 2.42177 37.2532 2.42166 56.4855 -208.157 37.2532 -208.157 -76.5975 GPRESSURE: 3311800 -38.6706 52.7543 104.542 -15.9724 91.2584 -150.153 -3.86437 -184.276 -30.8639 PRESSAVG: 3311800 -1.27227 60.3293 7.07479 60.3293 10.5622 5.62307 7.07482 5.62305 -8.35079 GPRESSAVG: 3311800 0.231035 60.8535 6.10145 61.2256 10.9538 4.28802 7.37225 4.64794 -9.91152 TIMING: 3311800 CPU: 9614.01, 0.00289457/step Wall: 9614.01, 0.00289457/step, 1.35739 hours remaining, 206.949219 MB of memory in use. ENERGY: 3311800 798.2576 2142.3016 1940.9665 109.5715 -205908.0360 17723.7068 0.0000 0.0000 34026.4762 -149166.7558 297.1617 -183193.2320 -149070.3430 299.4043 -25.6983 7.2413 556886.0903 0.3130 0.4244 PRESSURE: 3312000 -40.4664 215.508 -25.6009 215.508 -234.245 -14.7132 -25.601 -14.7132 117.457 GPRESSURE: 3312000 -72.9922 270.107 25.1712 180.923 -151.073 -90.1636 -11.5538 1.70036 154.488 PRESSAVG: 3312000 -60.4208 31.6708 -21.8062 31.6708 47.5286 -50.371 -21.8063 -50.3709 29.295 GPRESSAVG: 3312000 -61.3682 32.4287 -22.0426 31.6729 47.1212 -48.295 -20.136 -50.7625 29.9782 TIMING: 3312000 CPU: 9614.59, 0.00289285/step Wall: 9614.59, 0.00289285/step, 1.35643 hours remaining, 206.949219 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: 3312000 799.8888 2090.7919 1950.6837 111.9903 -206515.3195 17780.0688 0.0000 0.0000 34368.1101 -149413.7859 300.1453 -183781.8960 -149321.0039 299.4747 -52.4183 -23.1923 556438.4460 5.4676 5.2437 PRESSURE: 3312200 -146.95 -136.217 13.7218 -136.215 -68.0876 -190 13.7214 -190 -90.395 GPRESSURE: 3312200 -140.923 -141.734 72.2464 -238.744 -30.4333 -148.599 133.181 -204.281 -40.099 PRESSAVG: 3312200 -38.868 0.307992 -13.9206 0.307948 108.115 -3.58141 -13.9207 -3.58142 -42.1527 GPRESSAVG: 3312200 -40.1078 1.04501 -12.9005 -0.017049 108.693 -4.45432 -14.6793 -3.22296 -41.3983 TIMING: 3312200 CPU: 9615.17, 0.00289854/step Wall: 9615.17, 0.00289854/step, 1.35893 hours remaining, 206.949219 MB of memory in use. ENERGY: 3312200 747.3357 2050.2209 1966.9262 112.4481 -206169.3551 17615.9641 0.0000 0.0000 34348.9210 -149327.5390 299.9777 -183676.4600 -149230.1757 298.2899 -101.8108 -70.4852 555256.1605 9.0316 9.0625 LDB: ============= START OF LOAD BALANCING ============== 9618.63 LDB: ============== END OF LOAD BALANCING =============== 9618.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9618.63 LDB: ============= START OF LOAD BALANCING ============== 9618.92 LDB: Largest compute 4820 load 0.029865 is 25.3% of average load 0.117861 LDB: Average compute 0.001724 is 1.5% of average load 0.117861 LDB: TIME 9618.93 LOAD: AVG 0.117861 MAX 0.17939 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.516 MB LDB: TIME 9618.93 LOAD: AVG 0.117861 MAX 0.17939 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: TIME 9618.93 LOAD: AVG 0.117861 MAX 0.17939 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9618.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9618.93 PRESSURE: 3312400 205.074 -230.978 -42.0795 -230.979 -113.858 89.5335 -42.0794 89.5333 -131.538 GPRESSURE: 3312400 223.378 -237.344 -80.8728 -157.641 -92.5088 134.153 28.1106 31.2887 -52.8116 PRESSAVG: 3312400 -12.9693 -6.63434 -27.7787 -6.63434 40.2505 -8.46712 -27.7785 -8.4671 -13.7061 GPRESSAVG: 3312400 -13.1283 -7.05459 -29.8409 -6.8977 40.2982 -7.83711 -26.2643 -7.56382 -13.1648 TIMING: 3312400 CPU: 9615.76, 0.00293587/step Wall: 9615.76, 0.00293587/step, 1.37627 hours remaining, 206.402344 MB of memory in use. ENERGY: 3312400 752.6006 2091.0775 1948.2433 119.6417 -206167.2604 17753.3759 0.0000 0.0000 34339.1899 -149163.1316 299.8927 -183502.3214 -149058.2200 299.2068 -13.4407 26.0192 556295.4765 4.5250 4.6684 PRESSURE: 3312600 -52.5145 -148.371 -7.3109 -148.37 110.416 20.2398 -7.31029 20.2398 369.698 GPRESSURE: 3312600 -17.6753 -92.5738 -37.0372 -213.335 139.065 59.9048 -73.5563 57.1368 398.329 PRESSAVG: 3312600 -1.35 0.358545 -30.3736 0.358583 -22.8939 48.6003 -30.3736 48.6002 51.071 GPRESSAVG: 3312600 -1.16178 0.938777 -29.3341 -0.346204 -21.9139 49.4846 -31.9058 48.2813 49.9058 TIMING: 3312600 CPU: 9616.34, 0.00289292/step Wall: 9616.34, 0.00289292/step, 1.35598 hours remaining, 206.644531 MB of memory in use. ENERGY: 3312600 721.4108 2146.9109 1949.8669 115.9312 -206210.6593 17930.2643 0.0000 0.0000 34207.2429 -149139.0324 298.7404 -183346.2753 -149043.6205 299.4202 142.5330 173.2396 556841.9822 8.9424 8.9434 PRESSURE: 3312800 6.52921 73.8363 139.113 73.8354 144.003 176.662 139.112 176.662 -118.806 GPRESSURE: 3312800 69.233 80.2097 96.5925 8.3561 163.136 234.033 213.424 103.818 -124.437 PRESSAVG: 3312800 0.755933 -20.044 -14.7951 -20.044 53.853 -19.6697 -14.7951 -19.6698 21.2701 GPRESSAVG: 3312800 0.935915 -22.0408 -14.3955 -18.6505 52.382 -20.3758 -14.7714 -18.1049 22.9603 TIMING: 3312800 CPU: 9616.92, 0.00290032/step Wall: 9616.92, 0.00290032/step, 1.35928 hours remaining, 206.644531 MB of memory in use. ENERGY: 3312800 762.8725 2080.3430 1960.7518 105.2645 -206163.2504 17797.2491 0.0000 0.0000 34220.8729 -149235.8965 298.8594 -183456.7694 -149133.1071 299.4880 10.5755 35.9772 558471.1748 25.2930 25.4261 PRESSURE: 3313000 54.3689 -53.0696 -137.911 -53.0697 34.1814 127.219 -137.911 127.219 -282.053 GPRESSURE: 3313000 98.2367 -39.9253 -162.935 -8.63411 59.1303 89.8624 -153.168 186.426 -257.043 PRESSAVG: 3313000 10.4747 -17.5397 -74.2129 -17.5397 19.4256 22.9038 -74.2129 22.9038 -54.0423 GPRESSAVG: 3313000 10.8875 -16.9677 -75.8147 -17.456 19.82 22.4847 -74.0189 21.3783 -54.9096 TIMING: 3313000 CPU: 9617.5, 0.00290657/step Wall: 9617.5, 0.00290657/step, 1.36205 hours remaining, 206.644531 MB of memory in use. ENERGY: 3313000 728.7906 2061.8448 1949.2724 109.7698 -206197.0915 17654.8535 0.0000 0.0000 34347.3886 -149345.1718 299.9643 -183692.5604 -149259.5904 298.6293 -64.5008 -33.2252 556902.0483 -8.0473 -8.0673 PRESSURE: 3313200 -242.874 155.171 -45.331 155.172 479.266 84.6786 -45.3316 84.6782 220.353 GPRESSURE: 3313200 -135.821 91.2818 -39.6677 207.487 478.035 162.488 14.4368 49.7715 226.588 PRESSAVG: 3313200 -11.9085 -0.905845 29.9508 -0.905828 -53.4822 -1.82187 29.9507 -1.8219 66.2102 GPRESSAVG: 3313200 -12.5346 -0.00415629 29.8883 -0.379285 -53.4674 -2.28391 30.9995 -0.560279 66.6404 TIMING: 3313200 CPU: 9618.07, 0.00288896/step Wall: 9618.07, 0.00288896/step, 1.35364 hours remaining, 206.644531 MB of memory in use. ENERGY: 3313200 740.8990 2047.8140 1970.0386 113.8901 -206439.0606 18055.0486 0.0000 0.0000 34096.2090 -149415.1614 297.7707 -183511.3704 -149321.4461 299.2472 152.2483 189.6009 556507.2904 0.2732 0.2128 PRESSURE: 3313400 108.59 108.286 -298.859 108.285 -65.8451 -127.024 -298.86 -127.024 -227.523 GPRESSURE: 3313400 96.5828 127.732 -304.059 82.6202 -70.3835 -195.905 -265.268 -84.142 -98.6519 PRESSAVG: 3313400 -29.7288 52.0089 21.0476 52.0088 -5.48938 -19.5757 21.0477 -19.5757 40.2379 GPRESSAVG: 3313400 -27.8621 53.0165 21.6701 51.3567 -6.05856 -18.5502 20.8679 -21.8852 39.1613 TIMING: 3313400 CPU: 9618.65, 0.00289323/step Wall: 9618.65, 0.00289323/step, 1.35548 hours remaining, 206.734375 MB of memory in use. ENERGY: 3313400 726.0123 2048.1158 1950.6356 101.2691 -206000.2332 17653.7045 0.0000 0.0000 34407.5809 -149112.9150 300.4900 -183520.4959 -149009.8020 298.2431 -61.5927 -24.1508 558044.7413 1.6732 1.7469 PRESSURE: 3313600 165.855 -231.047 28.4287 -231.048 161.586 -76.718 28.4272 -76.7178 -175.692 GPRESSURE: 3313600 212.692 -231.996 119.867 -216.499 185.953 -67.6218 16.522 -60.2052 -153.925 PRESSAVG: 3313600 -23.8201 23.9584 24.0227 23.9584 -35.8084 33.9531 24.0227 33.953 61.8696 GPRESSAVG: 3313600 -24.5061 21.2493 25.1263 23.0454 -34.7141 34.1514 21.4353 33.2972 61.7504 TIMING: 3313600 CPU: 9619.23, 0.00289116/step Wall: 9619.23, 0.00289116/step, 1.35435 hours remaining, 206.734375 MB of memory in use. ENERGY: 3313600 741.2759 2087.7352 1966.2091 105.8044 -206271.9933 17884.6556 0.0000 0.0000 34327.4909 -149158.8222 299.7905 -183486.3131 -149058.5470 299.1720 50.5828 81.5733 557261.4286 0.7471 0.8434 PRESSURE: 3313800 -32.675 -71.9101 20.51 -71.9104 -310.142 111.316 20.5093 111.317 -192.284 GPRESSURE: 3313800 4.31102 -52.203 52.2997 -44.22 -238.623 122.964 -48.4882 138.084 -207.25 PRESSAVG: 3313800 35.7758 41.0497 -16.2886 41.0496 -70.3027 58.1878 -16.2885 58.1878 -4.60893 GPRESSAVG: 3313800 35.6997 43.2947 -15.6328 42.6877 -70.3274 56.7125 -14.8673 59.8911 -4.38637 TIMING: 3313800 CPU: 9619.81, 0.00288062/step Wall: 9619.81, 0.00288062/step, 1.34925 hours remaining, 206.734375 MB of memory in use. ENERGY: 3313800 777.5130 2093.9887 1964.0790 114.2638 -206266.7380 17816.1258 0.0000 0.0000 34362.6796 -149138.0881 300.0978 -183500.7677 -149044.6309 299.1848 -178.3668 -147.1872 558218.3295 -13.0453 -13.0047 PRESSURE: 3314000 -98.394 -50.9768 -46.9307 -50.9774 -26.3273 -76.8897 -46.9302 -76.891 -359.195 GPRESSURE: 3314000 -62.2049 0.896146 -23.9768 -103.117 -41.3577 -20.0806 -35.0065 -123.837 -281.048 PRESSAVG: 3314000 -5.59253 42.7261 2.24626 42.7261 6.42607 27.9748 2.24636 27.9747 -33.2858 GPRESSAVG: 3314000 -5.95768 43.4747 -0.240379 40.5635 6.05855 29.3902 2.95445 27.0058 -32.718 TIMING: 3314000 CPU: 9620.38, 0.00287516/step Wall: 9620.38, 0.00287516/step, 1.34653 hours remaining, 206.734375 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: 3314000 736.2836 2040.5874 1961.0206 109.7993 -205864.0075 17689.3796 0.0000 0.0000 34217.9858 -149108.9511 298.8342 -183326.9369 -149010.8534 298.8882 -161.3055 -128.2034 558282.3987 -10.8174 -10.8724 PRESSURE: 3314200 -130.241 28.0857 60.4149 28.0868 82.4016 -28.8338 60.4145 -28.8351 244.513 GPRESSURE: 3314200 -79.917 38.2822 68.2575 3.23166 104.47 3.7969 79.221 -45.1978 274.517 PRESSAVG: 3314200 3.2221 -46.4887 -38.5359 -46.4887 -23.6306 17.2592 -38.536 17.2592 15.4791 GPRESSAVG: 3314200 3.74731 -48.9377 -39.5028 -45.1876 -23.9319 15.8528 -40.1794 18.6746 15.1288 TIMING: 3314200 CPU: 9620.96, 0.00288763/step Wall: 9620.96, 0.00288763/step, 1.35221 hours remaining, 206.734375 MB of memory in use. ENERGY: 3314200 723.7105 2114.2922 1925.2390 116.0017 -206011.8733 17859.1722 0.0000 0.0000 34248.1668 -149025.2910 299.0978 -183273.4578 -148931.5782 299.2489 65.5579 99.6902 557160.5265 -1.6432 -1.6853 PRESSURE: 3314400 -107.531 -93.788 -116.601 -93.788 -127.638 -31.3091 -116.601 -31.3107 287.84 GPRESSURE: 3314400 -93.4409 -93.3795 -146.563 -17.4731 -82.8308 -69.3552 -108.647 87.2857 317.585 PRESSAVG: 3314400 4.63835 -3.30827 -56.7428 -3.30813 -26.6457 -41.7862 -56.7428 -41.7862 -0.706762 GPRESSAVG: 3314400 4.70311 -4.02907 -56.3316 -1.89882 -26.6891 -40.7688 -55.2191 -41.0137 -0.468564 TIMING: 3314400 CPU: 9621.54, 0.0028994/step Wall: 9621.54, 0.0028994/step, 1.35756 hours remaining, 206.734375 MB of memory in use. ENERGY: 3314400 762.3836 2061.6234 1953.9100 111.9709 -206364.3396 18003.9973 0.0000 0.0000 34442.3411 -149028.1134 300.7935 -183470.4545 -148933.7951 300.0549 17.5571 47.1046 558485.0192 -7.5714 -7.4849 PRESSURE: 3314600 236.426 126.439 41.4448 126.439 347.614 26.1497 41.4442 26.151 -3.02449 GPRESSURE: 3314600 278.286 156.642 -9.45704 36.2466 371.5 -12.1652 63.7972 8.31399 41.9316 PRESSAVG: 3314600 -51.1097 4.09235 -50.6479 4.09226 104.844 -69.9251 -50.6479 -69.9251 -85.8797 GPRESSAVG: 3314600 -50.5226 4.91336 -50.1126 3.51575 104.686 -69.9761 -51.9375 -68.7837 -86.7006 TIMING: 3314600 CPU: 9622.12, 0.00290158/step Wall: 9622.12, 0.00290158/step, 1.35842 hours remaining, 206.734375 MB of memory in use. ENERGY: 3314600 774.3382 2135.8054 1937.9439 123.3182 -206532.2151 18180.9206 0.0000 0.0000 34394.3547 -148985.5341 300.3745 -183379.8888 -148891.6760 300.2111 193.6718 230.5726 557930.5004 -10.7150 -10.8457 PRESSURE: 3314800 149.087 -17.8953 -12.7995 -17.8961 106.702 -136.946 -12.8007 -136.948 -144.514 GPRESSURE: 3314800 147.764 -40.7252 0.548206 -27.5656 136.397 -122.111 -37.5436 -168.256 -77.7551 PRESSAVG: 3314800 -32.1738 78.1359 52.9805 78.136 7.54096 -18.213 52.9805 -18.213 12.2544 GPRESSAVG: 3314800 -32.8431 77.2194 54.886 78.9776 7.77552 -19.1802 52.3242 -19.3037 12.3139 TIMING: 3314800 CPU: 9622.69, 0.00287086/step Wall: 9622.69, 0.00287086/step, 1.34388 hours remaining, 206.734375 MB of memory in use. ENERGY: 3314800 739.8660 2057.3209 1969.0739 120.7446 -206167.3977 17923.9280 0.0000 0.0000 34281.1103 -149075.3539 299.3855 -183356.4642 -148988.3256 299.5775 37.0915 68.8021 558628.1948 -4.1261 -4.2513 PRESSURE: 3315000 -36.8832 -110.941 -155.613 -110.941 -63.3017 55.9236 -155.613 55.9245 -47.2334 GPRESSURE: 3315000 -35.035 -140.955 -167.44 -156.829 -49.0205 -72.309 -160.627 69.0127 29.6204 PRESSAVG: 3315000 -8.61507 16.3521 -10.5181 16.3522 56.2404 38.2265 -10.5181 38.2264 -51.7058 GPRESSAVG: 3315000 -8.56736 18.0556 -12.6814 13.9111 55.9937 39.8537 -8.98082 35.0657 -51.0205 TIMING: 3315000 CPU: 9623.27, 0.00290204/step Wall: 9623.27, 0.00290204/step, 1.35832 hours remaining, 206.734375 MB of memory in use. ENERGY: 3315000 690.2311 2076.9334 1962.6745 112.4620 -205844.5164 17696.7505 0.0000 0.0000 34223.0882 -149082.3766 298.8787 -183305.4648 -148987.3066 300.0773 -49.1395 -18.1450 559483.6581 -1.3602 -1.1981 PRESSURE: 3315200 -77.4741 -4.12596 -20.8139 -4.12697 -123.603 -27.2698 -20.8138 -27.2703 -33.5423 GPRESSURE: 3315200 -36.0051 -4.72845 49.6375 113.37 -87.663 -17.4148 5.31909 -1.30848 -14.3479 PRESSAVG: 3315200 -0.152075 21.3437 -55.8056 21.3438 38.9773 -6.84882 -55.8056 -6.84874 -19.4273 GPRESSAVG: 3315200 0.666438 19.3257 -54.9076 21.225 38.8759 -6.43748 -55.7151 -4.35853 -19.8073 TIMING: 3315200 CPU: 9623.85, 0.00288796/step Wall: 9623.85, 0.00288796/step, 1.35156 hours remaining, 206.734375 MB of memory in use. ENERGY: 3315200 750.6187 2014.9430 1957.6298 115.2849 -205777.1089 17557.1112 0.0000 0.0000 34213.8279 -149167.6934 298.7979 -183381.5213 -149078.0169 299.1563 -78.2066 -46.0053 558268.1460 6.4660 6.5784 PRESSURE: 3315400 -63.7514 -16.1022 -144.736 -16.1027 -172.67 55.1497 -144.736 55.1502 172.863 GPRESSURE: 3315400 -16.2317 46.5669 -88.1706 -31.9155 -145.6 100.35 -91.0544 88.1709 184.031 PRESSAVG: 3315400 35.776 25.2002 -54.1317 25.2002 -25.9655 -2.40471 -54.1317 -2.40462 -7.70333 GPRESSAVG: 3315400 34.6491 24.4799 -54.8117 26.6331 -25.4682 -2.12952 -53.4716 -3.72376 -7.1619 TIMING: 3315400 CPU: 9624.43, 0.00291149/step Wall: 9624.43, 0.00291149/step, 1.36241 hours remaining, 206.734375 MB of memory in use. ENERGY: 3315400 778.2186 2134.7936 1948.9973 120.7350 -206302.0867 17823.2632 0.0000 0.0000 34306.5569 -149189.5221 299.6077 -183496.0790 -149099.3821 300.1016 -21.1861 7.3999 557733.3832 0.7024 0.6730 PRESSURE: 3315600 -45.515 100.554 -113.621 100.554 -258.316 -159.681 -113.621 -159.68 -25.7997 GPRESSURE: 3315600 -12.714 63.0402 -112.917 139.907 -222.517 -230.346 -92.7495 -151.012 -3.82926 PRESSAVG: 3315600 16.451 41.5566 -58.0561 41.5566 -4.63545 -10.7493 -58.0562 -10.7493 -24.8704 GPRESSAVG: 3315600 16.483 43.3304 -58.7679 41.6105 -5.107 -12.9475 -58.9881 -8.81484 -24.5527 TIMING: 3315600 CPU: 9625.02, 0.00292041/step Wall: 9625.02, 0.00292041/step, 1.36643 hours remaining, 206.734375 MB of memory in use. ENERGY: 3315600 769.6791 2065.2925 1977.7615 121.3687 -206107.8124 17664.3284 0.0000 0.0000 34318.6403 -149190.7418 299.7132 -183509.3821 -149087.2110 300.0315 -109.8770 -79.6869 558900.5954 -4.3516 -4.3923 PRESSURE: 3315800 15.67 -34.0504 -106.726 -34.0496 -209.898 -81.9358 -106.725 -81.9382 -115.268 GPRESSURE: 3315800 1.14924 39.581 -90.1725 -21.9039 -144.805 -76.1777 -112.753 -62.3364 -80.7082 PRESSAVG: 3315800 -17.394 8.81625 -56.1274 8.81624 -14.1494 -22.6312 -56.1274 -22.6312 29.1994 GPRESSAVG: 3315800 -16.7357 7.93396 -53.7617 8.80045 -14.3735 -24.5271 -57.1468 -21.709 28.3846 TIMING: 3315800 CPU: 9625.6, 0.00291057/step Wall: 9625.6, 0.00291057/step, 1.36166 hours remaining, 206.734375 MB of memory in use. ENERGY: 3315800 753.5177 2035.8711 2000.7302 119.5376 -206025.0195 17716.9141 0.0000 0.0000 34238.6879 -149159.7609 299.0150 -183398.4487 -149060.3042 299.6866 -103.1655 -74.7878 557840.0849 -0.7813 -0.9082 PRESSURE: 3316000 150.429 128.289 80.186 128.289 88.9104 76.0344 80.1866 76.0343 -223.355 GPRESSURE: 3316000 191.25 175.579 28.0438 106.446 155.735 70.5659 133.425 196.239 -222.65 PRESSAVG: 3316000 -21.9929 20.9621 -31.3773 20.9622 51.5215 -43.5959 -31.3773 -43.5957 -38.3925 GPRESSAVG: 3316000 -22.8651 21.3022 -34.0399 19.6191 51.8284 -40.2297 -30.9369 -44.9574 -37.8353 TIMING: 3316000 CPU: 9626.18, 0.00289711/step Wall: 9626.18, 0.00289711/step, 1.3552 hours remaining, 206.734375 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: 3316000 719.0112 2139.9337 1953.7517 119.7330 -206060.0564 17683.7376 0.0000 0.0000 34172.4221 -149271.4672 298.4363 -183443.8894 -149169.7082 299.3533 5.3282 41.4450 557921.2539 -2.9546 -2.9573 PRESSURE: 3316200 -46.442 79.8584 101.861 79.8586 -96.4156 54.1781 101.861 54.1791 -300.022 GPRESSURE: 3316200 -12.4863 144.018 158.688 -3.23755 -35.4212 151.575 111.519 42.4035 -280.858 PRESSAVG: 3316200 51.3529 25.9566 38.3561 25.9565 -43.6086 -40.8127 38.3562 -40.8126 3.86547 GPRESSAVG: 3316200 51.3828 27.0095 39.0141 27.9952 -43.3132 -41.3846 39.3933 -40.8735 3.7062 TIMING: 3316200 CPU: 9626.76, 0.00290821/step Wall: 9626.76, 0.00290821/step, 1.36024 hours remaining, 206.734375 MB of memory in use. ENERGY: 3316200 750.4487 2116.7354 1941.3163 116.5379 -206172.3363 17690.6458 0.0000 0.0000 34326.5350 -149230.1172 299.7822 -183556.6522 -149138.3374 298.9142 -147.6266 -109.5886 557472.7928 3.8699 3.9253 LDB: ============= START OF LOAD BALANCING ============== 9630.23 LDB: ============== END OF LOAD BALANCING =============== 9630.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9630.23 LDB: ============= START OF LOAD BALANCING ============== 9630.52 LDB: Largest compute 4820 load 0.028767 is 24.4% of average load 0.117791 LDB: Average compute 0.001721 is 1.5% of average load 0.117791 LDB: TIME 9630.52 LOAD: AVG 0.117791 MAX 0.179837 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.43 MB LDB: TIME 9630.52 LOAD: AVG 0.117791 MAX 0.179837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.434 MB LDB: TIME 9630.52 LOAD: AVG 0.117791 MAX 0.179837 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9630.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9630.53 PRESSURE: 3316400 4.53523 -48.0378 7.6948 -48.0378 32.431 160.707 7.69533 160.708 54.1933 GPRESSURE: 3316400 -2.22926 -50.3696 8.88257 27.5661 62.8302 198.221 -37.7066 199.766 120.577 PRESSAVG: 3316400 92.9554 -21.9776 -38.4155 -21.9776 31.7241 18.046 -38.4155 18.0461 -89.5976 GPRESSAVG: 3316400 91.7317 -24.9316 -36.5196 -22.4515 33.1383 17.2335 -41.3671 17.8978 -90.0505 TIMING: 3316400 CPU: 9627.35, 0.00296481/step Wall: 9627.35, 0.00296481/step, 1.38654 hours remaining, 206.390625 MB of memory in use. ENERGY: 3316400 764.8320 2090.3685 1932.5566 107.0350 -206436.0498 17914.1861 0.0000 0.0000 34460.2900 -149166.7815 300.9503 -183627.0716 -149069.8271 299.2527 30.3865 60.3927 556821.5903 11.6940 11.6065 PRESSURE: 3316600 135.913 73.2486 -20.0553 73.2489 -60.953 56.7921 -20.0548 56.7916 207.329 GPRESSURE: 3316600 189.946 39.4 -118.054 98.9412 3.32539 32.8266 15.0301 2.9368 180.691 PRESSAVG: 3316600 -29.0848 3.84658 -29.0116 3.8466 81.457 -4.18362 -29.0115 -4.18359 -58.663 GPRESSAVG: 3316600 -27.3587 7.49554 -30.3071 2.51181 79.7769 -4.78155 -27.4491 -6.10134 -58.9751 TIMING: 3316600 CPU: 9627.93, 0.00288004/step Wall: 9627.93, 0.00288004/step, 1.34674 hours remaining, 206.402344 MB of memory in use. ENERGY: 3316600 722.7114 2134.5303 1967.8830 109.9273 -206263.7233 17678.0832 0.0000 0.0000 34411.5068 -149239.0814 300.5242 -183650.5882 -149140.8712 299.8670 94.0963 124.6542 555764.2445 -2.0969 -2.1856 PRESSURE: 3316800 8.4933 214.943 187.711 214.944 -101.682 -121.708 187.713 -121.71 138.998 GPRESSURE: 3316800 12.2441 209.345 57.0833 175.376 -47.5843 -111.671 226.264 -112.848 184.954 PRESSAVG: 3316800 17.4978 3.758 11.8167 3.75813 -9.50217 14.1897 11.8166 14.1896 -31.1017 GPRESSAVG: 3316800 16.6355 0.201213 11.059 5.18143 -9.23789 12.1365 13.1419 16.9043 -30.185 TIMING: 3316800 CPU: 9628.51, 0.00289096/step Wall: 9628.51, 0.00289096/step, 1.35168 hours remaining, 206.402344 MB of memory in use. ENERGY: 3316800 781.1191 2098.1344 1975.1460 133.6072 -206370.6395 17969.8186 0.0000 0.0000 34241.9113 -149170.9029 299.0431 -183412.8142 -149069.9693 298.6634 15.2696 49.8714 557688.9429 -7.7020 -7.5958 PRESSURE: 3317000 -201.205 -97.6532 155.616 -97.6529 156.11 44.4999 155.616 44.5003 -174.465 GPRESSURE: 3317000 -195.125 -36.3427 136.913 -99.3729 171.279 92.8156 131.536 77.0171 -94.1154 PRESSAVG: 3317000 46.5385 -27.0462 11.5006 -27.046 -1.92552 17.1406 11.5006 17.1407 5.86401 GPRESSAVG: 3317000 47.298 -25.4801 13.1146 -28.2929 -2.52084 20.2819 8.73235 13.678 6.14376 TIMING: 3317000 CPU: 9629.09, 0.00289651/step Wall: 9629.09, 0.00289651/step, 1.35412 hours remaining, 206.402344 MB of memory in use. ENERGY: 3317000 768.0621 2129.1779 1980.1976 109.4126 -206179.8240 17891.6022 0.0000 0.0000 34370.1190 -148931.2526 300.1628 -183301.3716 -148833.5511 300.1484 -73.1870 -39.3205 558919.6762 16.8257 16.9737 PRESSURE: 3317200 -62.451 19.7142 -59.1866 19.7155 -190.546 101.22 -59.1865 101.219 -148.306 GPRESSURE: 3317200 -21.4614 4.81539 -100.145 64.0211 -139.379 34.1653 -58.8846 101.806 -153.195 PRESSAVG: 3317200 21.8592 9.05202 -45.9329 9.05207 2.33221 13.4675 -45.9329 13.4674 -28.2219 GPRESSAVG: 3317200 22.4661 8.07152 -46.4584 10.6525 0.916963 12.7711 -45.2531 14.6968 -27.3925 TIMING: 3317200 CPU: 9629.67, 0.00291064/step Wall: 9629.67, 0.00291064/step, 1.36056 hours remaining, 206.402344 MB of memory in use. ENERGY: 3317200 762.9014 2126.3240 1983.3605 129.3635 -205967.3287 17724.5622 0.0000 0.0000 34396.9791 -148843.8381 300.3974 -183240.8172 -148749.1314 300.0920 -133.7678 -104.6784 559976.1348 -1.3435 -1.3365 PRESSURE: 3317400 -100.617 -133.288 -146.471 -133.288 -218.402 17.8904 -146.47 17.8911 72.3983 GPRESSURE: 3317400 -99.5619 -158.12 -99.6831 -97.6202 -109.951 -31.228 -54.8855 -27.246 69.3208 PRESSAVG: 3317400 59.7905 -64.7056 -53.8681 -64.7055 -8.84617 15.6236 -53.8681 15.6236 -35.9886 GPRESSAVG: 3317400 59.406 -65.0729 -53.8598 -64.5213 -7.30288 16.0563 -53.5878 15.2802 -37.3094 TIMING: 3317400 CPU: 9630.25, 0.00289884/step Wall: 9630.25, 0.00289884/step, 1.35488 hours remaining, 206.605469 MB of memory in use. ENERGY: 3317400 764.1789 2094.4247 1959.3699 102.8266 -206027.3896 17713.1904 0.0000 0.0000 34358.5004 -149034.8986 300.0613 -183393.3990 -148933.3938 300.2730 -82.2068 -46.7308 558930.7321 4.9853 4.9312 PRESSURE: 3317600 65.7774 -48.0756 69.5808 -48.0761 16.5157 -67.6213 69.5814 -67.6201 127.777 GPRESSURE: 3317600 82.1084 -13.0955 9.53457 -73.8706 84.3011 -118.257 77.3023 -50.9762 139.613 PRESSAVG: 3317600 61.84 0.57347 9.91509 0.573545 -8.7408 6.64922 9.9151 6.64927 -24.1684 GPRESSAVG: 3317600 61.8089 2.90635 11.1885 -0.101717 -8.34606 7.04875 10.1629 6.61368 -24.236 TIMING: 3317600 CPU: 9630.83, 0.00291376/step Wall: 9630.83, 0.00291376/step, 1.3617 hours remaining, 206.605469 MB of memory in use. ENERGY: 3317600 775.6122 2099.8592 1957.3974 99.3513 -206502.6559 18008.2385 0.0000 0.0000 34595.3856 -148966.8116 302.1301 -183562.1972 -148870.8249 299.6345 70.0234 102.0074 558651.0506 9.6436 9.7423 PRESSURE: 3317800 -401.824 -27.6137 121.671 -27.6136 -83.8039 -113.759 121.67 -113.757 -164.241 GPRESSURE: 3317800 -390.119 -40.4393 59.6802 15.0521 -18.3045 -121.9 185.501 -122.244 -151.164 PRESSAVG: 3317800 -9.42389 -8.84005 -33.1374 -8.83989 -25.6378 18.0067 -33.1374 18.0067 35.9428 GPRESSAVG: 3317800 -10.2256 -9.31157 -36.273 -8.56256 -26.7696 19.0017 -32.603 15.8794 37.1106 TIMING: 3317800 CPU: 9631.41, 0.00288481/step Wall: 9631.41, 0.00288481/step, 1.34801 hours remaining, 206.605469 MB of memory in use. ENERGY: 3317800 775.5572 2154.6740 1944.1337 108.8986 -205639.3685 17546.9454 0.0000 0.0000 34276.8704 -148832.2893 299.3484 -183109.1597 -148744.3282 299.8171 -216.6229 -186.5294 559273.2858 0.2937 0.0385 PRESSURE: 3318000 29.7453 4.93617 169.777 4.93621 -178.315 -88.604 169.775 -88.6045 -108.752 GPRESSURE: 3318000 46.2948 -42.1035 124.362 10.5039 -149.601 -111.918 156.7 -63.3933 -64.8856 PRESSAVG: 3318000 27.3734 72.8322 32.2036 72.8322 4.39365 -0.554389 32.2037 -0.554359 -1.55028 GPRESSAVG: 3318000 28.3591 73.3905 33.9828 72.7347 4.97491 -2.04651 31.5118 2.37606 -3.08376 TIMING: 3318000 CPU: 9631.99, 0.00288732/step Wall: 9631.99, 0.00288732/step, 1.34902 hours remaining, 206.605469 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: 3318000 751.5569 2140.2012 1986.9383 118.5172 -206170.9796 17834.1222 0.0000 0.0000 34441.6157 -148898.0281 300.7872 -183339.6438 -148798.7614 300.1499 -85.7737 -56.0640 558781.9063 10.0723 10.0834 PRESSURE: 3318200 6.75775 77.6709 160.376 77.6703 -46.5255 127.081 160.375 127.08 130.158 GPRESSURE: 3318200 79.6184 68.3324 252.078 123.357 -55.9463 78.0091 211.359 107.72 163.334 PRESSAVG: 3318200 -48.8725 9.06414 43.7827 9.06419 -6.28156 36.4445 43.7826 36.4444 60.382 GPRESSAVG: 3318200 -48.4314 7.41514 42.7094 11.8227 -6.96261 36.1321 43.9634 36.3366 60.5153 TIMING: 3318200 CPU: 9632.56, 0.00288201/step Wall: 9632.56, 0.00288201/step, 1.34638 hours remaining, 206.605469 MB of memory in use. ENERGY: 3318200 749.8199 2071.8460 1984.9642 128.8042 -206238.0524 17939.8905 0.0000 0.0000 34470.1342 -148892.5934 301.0363 -183362.7276 -148796.0628 300.6065 30.1302 62.3354 558043.6831 1.7427 1.7071 PRESSURE: 3318400 10.3227 66.9331 9.59971 66.9309 61.8424 13.0593 9.60067 13.0589 190.072 GPRESSURE: 3318400 14.1309 99.6483 -83.6494 134.32 118.788 32.5169 12.4607 21.0849 230.848 PRESSAVG: 3318400 -45.8192 13.4587 74.3293 13.4586 16.1146 13.1619 74.3293 13.162 32.6375 GPRESSAVG: 3318400 -47.2339 13.5493 75.5507 11.4913 17.7681 12.7468 75.2335 13.4912 32.6723 TIMING: 3318400 CPU: 9633.14, 0.00288088/step Wall: 9633.14, 0.00288088/step, 1.34569 hours remaining, 206.605469 MB of memory in use. ENERGY: 3318400 724.0318 2090.1962 1975.6428 124.1752 -205840.3513 17764.5605 0.0000 0.0000 34315.1754 -148846.5694 299.6830 -183161.7448 -148750.4856 299.6134 87.4123 121.2559 557052.7760 0.9776 1.0688 PRESSURE: 3318600 -260.991 35.0547 -97.1022 35.0558 97.8409 42.448 -97.1013 42.4488 -219.028 GPRESSURE: 3318600 -251.296 41.0925 -127.931 11.9776 132.732 46.7438 -52.9042 107.503 -158.53 PRESSAVG: 3318600 -39.7612 -13.9513 -48.9378 -13.9513 23.1731 17.8545 -48.9377 17.8545 114.853 GPRESSAVG: 3318600 -40.303 -11.0141 -48.9326 -14.8784 22.4029 18.7272 -50.1185 18.371 116.462 TIMING: 3318600 CPU: 9633.71, 0.00286651/step Wall: 9633.71, 0.00286651/step, 1.33882 hours remaining, 206.605469 MB of memory in use. ENERGY: 3318600 708.2846 2125.6028 1967.8058 111.9898 -205504.9180 17399.7292 0.0000 0.0000 34292.4430 -148899.0626 299.4844 -183191.5057 -148802.8518 299.8765 -127.3927 -92.3645 557296.3951 32.7549 32.8539 PRESSURE: 3318800 9.55947 -146.088 67.3891 -146.089 -12.7813 59.1516 67.3883 59.1523 -231.316 GPRESSURE: 3318800 5.49464 -51.1526 7.5326 -198.417 55.7375 88.1783 65.6455 11.8752 -189.395 PRESSAVG: 3318800 -9.3794 23.7561 -32.0296 23.7561 -50.4344 -8.84796 -32.0296 -8.84798 15.2897 GPRESSAVG: 3318800 -8.683 22.4379 -33.3779 23.5634 -50.2776 -9.63392 -31.86 -9.65462 14.3772 TIMING: 3318800 CPU: 9634.29, 0.00290074/step Wall: 9634.29, 0.00290074/step, 1.35465 hours remaining, 206.605469 MB of memory in use. ENERGY: 3318800 739.5288 2107.6039 1981.2537 93.2514 -205915.8069 17760.7544 0.0000 0.0000 34403.7538 -148829.6609 300.4565 -183233.4147 -148728.2986 300.0541 -78.1793 -42.7210 558224.6105 -14.8414 -14.8611 PRESSURE: 3319000 -209.169 121.819 45.1833 121.819 -351.037 110.36 45.1833 110.36 -274.301 GPRESSURE: 3319000 -186.674 195.778 62.9105 34.0828 -354.315 -20.886 73.9608 172.054 -194.042 PRESSAVG: 3319000 1.00074 -14.9654 57.8729 -14.9654 -49.1607 -38.2357 57.873 -38.2356 32.2439 GPRESSAVG: 3319000 -0.200417 -15.4816 59.3498 -14.3644 -49.271 -39.4458 57.8443 -38.5663 33.9065 TIMING: 3319000 CPU: 9634.87, 0.00290532/step Wall: 9634.87, 0.00290532/step, 1.35662 hours remaining, 206.605469 MB of memory in use. ENERGY: 3319000 727.0978 2076.5544 1989.3865 116.4736 -205436.7574 17423.2572 0.0000 0.0000 34302.8695 -148801.1184 299.5755 -183103.9879 -148699.4033 300.5464 -278.1688 -245.0100 559338.0841 -5.3054 -5.1883 PRESSURE: 3319200 378.728 -25.079 74.8077 -25.0791 -262.441 45.9005 74.8075 45.9016 245.219 GPRESSURE: 3319200 419.477 -67.9198 62.0642 18.393 -257.916 12.5034 99.22 104.32 301.233 PRESSAVG: 3319200 2.76771 9.58311 -11.4889 9.58309 -5.1333 -25.5086 -11.489 -25.5087 -13.5506 GPRESSAVG: 3319200 5.26648 7.80884 -14.0447 10.4917 -5.18806 -22.9967 -9.42785 -27.5878 -16.5242 TIMING: 3319200 CPU: 9635.45, 0.00290288/step Wall: 9635.45, 0.00290288/step, 1.35532 hours remaining, 206.605469 MB of memory in use. ENERGY: 3319200 760.4481 2108.8425 1944.7571 118.0375 -205975.6854 17943.5064 0.0000 0.0000 34329.8910 -148770.2028 299.8115 -183100.0939 -148668.8325 300.1712 120.5020 154.2645 557138.2166 -5.3054 -5.4819 PRESSURE: 3319400 -309.299 24.2054 97.4167 24.2033 67.1388 151.888 97.4178 151.889 -247.854 GPRESSURE: 3319400 -262.671 -10.9927 151.348 40.0711 48.1316 108.972 21.4126 119.92 -178.805 PRESSAVG: 3319400 56.9049 -7.717 30.7921 -7.71698 -21.808 27.0371 30.7922 27.0371 -37.0158 GPRESSAVG: 3319400 56.5797 -5.11898 31.5411 -10.0062 -22.4797 28.0615 30.1341 29.7403 -35.7691 TIMING: 3319400 CPU: 9636.04, 0.00290843/step Wall: 9636.04, 0.00290844/step, 1.35775 hours remaining, 206.605469 MB of memory in use. ENERGY: 3319400 743.8132 2119.6279 1965.9275 109.2856 -205830.1730 17542.1285 0.0000 0.0000 34593.0425 -148756.3478 302.1096 -183349.3903 -148656.9436 300.4021 -163.3379 -131.1150 558218.5216 -0.6396 -0.5564 PRESSURE: 3319600 152.041 373.768 7.35074 373.767 192.418 -135.08 7.35071 -135.079 -20.8069 GPRESSURE: 3319600 184.637 351.866 -4.50178 391.89 175.585 -137.083 -25.7154 -172.081 50.6535 PRESSAVG: 3319600 0.941819 33.9639 6.51478 33.9638 32.084 -30.9643 6.51488 -30.9643 -28.9077 GPRESSAVG: 3319600 1.79586 32.2262 9.32331 35.4775 31.2949 -31.9584 3.79052 -31.5921 -28.5949 TIMING: 3319600 CPU: 9636.61, 0.00287324/step Wall: 9636.61, 0.00287324/step, 1.34117 hours remaining, 206.605469 MB of memory in use. ENERGY: 3319600 709.3177 2065.5748 1947.3951 99.7304 -205995.0271 17864.0340 0.0000 0.0000 34251.1924 -149057.7828 299.1242 -183308.9751 -148964.8033 299.3020 107.8843 136.9587 558139.1862 1.3727 1.4986 PRESSURE: 3319800 59.8585 87.3742 21.3976 87.3733 -135.481 20.4528 21.3957 20.4501 284.154 GPRESSURE: 3319800 108.323 86.4626 -62.2929 32.461 -105.294 18.8153 37.3263 -29.4951 305.05 PRESSAVG: 3319800 -13.3515 44.8973 0.861849 44.8973 -5.21768 -11.1963 0.861856 -11.1965 15.0173 GPRESSAVG: 3319800 -14.9459 45.0364 -1.85887 44.2009 -3.78664 -12.4256 1.00456 -10.9413 15.3395 TIMING: 3319800 CPU: 9637.19, 0.00290145/step Wall: 9637.19, 0.00290145/step, 1.35417 hours remaining, 206.605469 MB of memory in use. ENERGY: 3319800 733.6036 2070.7411 1951.5047 113.1034 -205844.7471 17883.6633 0.0000 0.0000 34061.2162 -149030.9148 297.4651 -183092.1310 -148945.9291 298.5518 69.5105 102.6927 557317.5658 -1.1840 -1.1310 PRESSURE: 3320000 -33.2749 -3.66515 -58.5681 -3.66377 -89.0705 93.8293 -58.5687 93.8277 250.973 GPRESSURE: 3320000 40.1507 -52.3905 -138.664 34.2039 -67.5974 50.7069 -30.6269 151.357 260.611 PRESSAVG: 3320000 -47.2566 -3.51726 -20.2401 -3.51722 -15.3438 15.7498 -20.24 15.7495 79.3656 GPRESSAVG: 3320000 -44.71 -3.40865 -19.2719 -2.21273 -15.4917 15.7747 -20.2365 15.3536 77.1011 TIMING: 3320000 CPU: 9637.77, 0.0028873/step Wall: 9637.77, 0.0028873/step, 1.34741 hours remaining, 206.605469 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: 3320000 709.1420 2067.7261 1960.3651 114.6301 -205761.0280 17659.0473 0.0000 0.0000 34338.1295 -148911.9879 299.8834 -183250.1174 -148814.7871 298.6126 42.8757 77.7216 558032.3766 5.5884 5.6332 PRESSURE: 3320200 -58.1663 -179.748 -89.139 -179.747 196.685 64.5553 -89.1401 64.5553 -165.886 GPRESSURE: 3320200 -3.48119 -177.32 -54.8562 -152.835 194.694 57.107 -108.649 40.6063 -146.564 PRESSAVG: 3320200 2.28657 -2.33493 -30.5212 -2.33496 -33.365 5.76963 -30.5212 5.76958 31.5655 GPRESSAVG: 3320200 0.731667 -1.74926 -31.7568 -3.17175 -34.9466 7.00332 -30.1013 5.32757 34.4856 TIMING: 3320200 CPU: 9638.35, 0.00288171/step Wall: 9638.35, 0.00288171/step, 1.34464 hours remaining, 206.605469 MB of memory in use. ENERGY: 3320200 755.1350 2124.5353 1977.6257 123.3112 -205997.1445 17721.4920 0.0000 0.0000 34287.6660 -149007.3792 299.4427 -183295.0453 -148918.1255 300.2521 -9.1225 14.8830 558066.7718 0.1623 0.0902 LDB: ============= START OF LOAD BALANCING ============== 9641.81 LDB: ============== END OF LOAD BALANCING =============== 9641.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9641.81 LDB: ============= START OF LOAD BALANCING ============== 9642.11 LDB: Largest compute 4820 load 0.029826 is 25.3% of average load 0.117787 LDB: Average compute 0.001718 is 1.5% of average load 0.117787 LDB: TIME 9642.11 LOAD: AVG 0.117787 MAX 0.178256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.723 MB LDB: TIME 9642.11 LOAD: AVG 0.117787 MAX 0.178256 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 9642.11 LOAD: AVG 0.117787 MAX 0.178256 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: ============== END OF LOAD BALANCING =============== 9642.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9642.12 PRESSURE: 3320400 242.123 78.0687 115.674 78.0699 154.245 -158.272 115.675 -158.271 -66.6225 GPRESSURE: 3320400 339.916 88.0243 67.4825 120.206 168.938 -174.103 112.149 -51.9936 -78.8076 PRESSAVG: 3320400 -32.4363 12.3227 16.1632 12.3228 0.588046 10.2381 16.1631 10.238 -18.5183 GPRESSAVG: 3320400 -32.0916 9.94751 17.2147 14.5151 2.02395 10.4324 15.5316 11.5569 -20.2603 TIMING: 3320400 CPU: 9638.94, 0.00298785/step Wall: 9638.94, 0.00298785/step, 1.394 hours remaining, 206.660156 MB of memory in use. ENERGY: 3320400 716.1866 2116.4628 1974.2740 98.9535 -206100.3676 17855.6676 0.0000 0.0000 34317.0267 -149021.7965 299.6991 -183338.8232 -148926.6703 299.4519 109.9151 143.3488 558013.7255 -16.7889 -16.7760 PRESSURE: 3320600 -244.953 1.26449 -161.043 1.26428 -192.106 98.6062 -161.043 98.6049 -30.8725 GPRESSURE: 3320600 -240.39 21.1355 -115.778 25.5466 -126.63 122.218 -164.868 68.6052 5.2465 PRESSAVG: 3320600 -42.9356 19.2491 -5.58339 19.2491 50.5763 -12.1277 -5.58338 -12.1277 21.9009 GPRESSAVG: 3320600 -43.1562 22.2769 -5.50877 17.6123 50.2603 -13.2576 -5.51568 -13.0566 22.3189 TIMING: 3320600 CPU: 9639.52, 0.00290212/step Wall: 9639.52, 0.00290212/step, 1.35384 hours remaining, 206.660156 MB of memory in use. ENERGY: 3320600 728.4366 2101.9809 1949.1319 103.7994 -205699.6153 17553.4407 0.0000 0.0000 34371.4810 -148891.3449 300.1747 -183262.8259 -148786.0708 299.8803 -155.9774 -120.5910 558584.3012 9.8472 9.8077 PRESSURE: 3320800 61.4316 -56.9519 -45.4878 -56.9518 -250.623 -12.7086 -45.487 -12.708 115.003 GPRESSURE: 3320800 76.0297 -143.356 -104.102 -44.6785 -232.763 -14.6968 -2.29885 -36.7205 167.94 PRESSAVG: 3320800 -17.1921 13.4097 4.10523 13.4097 7.64465 -13.7872 4.10529 -13.7872 10.8698 GPRESSAVG: 3320800 -17.1441 11.6304 2.03462 13.544 6.90117 -12.4346 5.43724 -14.5351 11.6843 TIMING: 3320800 CPU: 9640.1, 0.00288511/step Wall: 9640.1, 0.00288511/step, 1.34574 hours remaining, 206.660156 MB of memory in use. ENERGY: 3320800 745.7726 2055.8405 1970.7685 120.7110 -205943.0136 17703.0155 0.0000 0.0000 34524.5865 -148822.3190 301.5118 -183346.9055 -148731.7658 299.9688 -24.7297 3.7356 557916.0160 0.4408 0.4805 PRESSURE: 3321000 6.26227 86.4798 105.994 86.4812 96.6449 131.172 105.993 131.173 -81.4387 GPRESSURE: 3321000 -31.4619 43.7786 144.745 118.42 127.751 101.777 90.1314 73.1503 7.69168 PRESSAVG: 3321000 -8.06416 19.4269 62.0244 19.4269 -24.8208 -32.7126 62.0244 -32.7127 42.4227 GPRESSAVG: 3321000 -7.96881 17.7323 64.3962 19.5159 -25.0952 -33.0205 58.8023 -32.9023 41.6702 TIMING: 3321000 CPU: 9640.68, 0.00290507/step Wall: 9640.68, 0.00290507/step, 1.35489 hours remaining, 206.660156 MB of memory in use. ENERGY: 3321000 747.8525 2088.4608 1960.4032 106.2172 -205778.0367 17834.6751 0.0000 0.0000 34284.8307 -148755.5972 299.4180 -183040.4278 -148656.7622 300.2312 7.1561 34.6602 559615.8481 3.1793 2.8687 PRESSURE: 3321200 -135.823 65.4154 10.1581 65.416 237.678 -42.9396 10.1582 -42.9401 106.865 GPRESSURE: 3321200 -122.113 78.0354 97.7983 37.859 304.336 3.04846 42.7791 -48.2432 119.214 PRESSAVG: 3321200 -31.595 40.8155 36.7851 40.8156 1.45433 -18.5404 36.7851 -18.5404 37.3469 GPRESSAVG: 3321200 -32.4403 41.2231 37.1551 40.9175 0.966391 -19.1773 37.7906 -15.6496 38.1486 TIMING: 3321200 CPU: 9641.26, 0.00289133/step Wall: 9641.26, 0.00289133/step, 1.34833 hours remaining, 206.933594 MB of memory in use. ENERGY: 3321200 741.9982 2063.9573 1945.4136 107.0526 -206139.1247 17880.0150 0.0000 0.0000 34486.4602 -148914.2279 301.1788 -183400.6880 -148821.6115 300.4255 69.5733 100.4791 557634.8442 2.4021 2.2249 PRESSURE: 3321400 253.871 -34.5165 42.8013 -34.5162 203.989 -216.84 42.8009 -216.839 122.648 GPRESSURE: 3321400 290.67 16.699 51.3233 -33.5192 255.365 -215.695 31.3541 -229.719 125.971 PRESSAVG: 3321400 -64.1605 39.2094 27.551 39.2095 -15.8279 -15.3237 27.551 -15.3237 36.1249 GPRESSAVG: 3321400 -64.6918 41.1545 27.1829 39.1101 -15.0458 -16.3271 27.2503 -16.2488 35.7169 TIMING: 3321400 CPU: 9641.84, 0.00288483/step Wall: 9641.84, 0.00288483/step, 1.34513 hours remaining, 206.933594 MB of memory in use. ENERGY: 3321400 759.2311 2093.0037 1958.9273 111.3393 -206314.0792 18068.7297 0.0000 0.0000 34507.4912 -148815.3570 301.3625 -183322.8482 -148715.6198 299.9310 193.5027 224.0023 555991.7794 -14.6212 -14.6735 PRESSURE: 3321600 61.8852 39.8855 51.8268 39.8859 -16.5258 10.3534 51.827 10.3525 94.7765 GPRESSURE: 3321600 86.8683 72.5692 14.4406 -24.7053 36.4313 -4.3425 30.796 31.388 106.376 PRESSAVG: 3321600 14.5761 13.0513 -14.1288 13.0514 2.10254 -30.1566 -14.1288 -30.1565 4.88758 GPRESSAVG: 3321600 15.8999 12.2952 -13.5901 12.542 1.38069 -29.8324 -13.1652 -30.1015 5.14907 TIMING: 3321600 CPU: 9642.42, 0.00290053/step Wall: 9642.42, 0.00290053/step, 1.35229 hours remaining, 206.933594 MB of memory in use. ENERGY: 3321600 745.6406 2113.9166 1947.6865 115.6389 -206090.8703 17873.2113 0.0000 0.0000 34469.6866 -148825.0899 301.0323 -183294.7765 -148728.1432 300.6093 46.7119 76.5584 557147.8383 7.1888 7.4765 PRESSURE: 3321800 -62.9701 60.0051 71.2504 60.005 -115.395 -73.4528 71.2505 -73.4516 -164.141 GPRESSURE: 3321800 -1.28286 89.0518 93.3466 158.368 -99.1309 -50.7824 67.0439 -56.3036 -146.625 PRESSAVG: 3321800 -2.16634 13.6999 4.60854 13.6999 11.4953 10.1316 4.60862 10.1316 -6.44879 GPRESSAVG: 3321800 -2.18996 12.8636 3.8735 16.2179 12.0613 11.7203 5.55297 7.08684 -7.07735 TIMING: 3321800 CPU: 9643, 0.00291189/step Wall: 9643, 0.00291189/step, 1.35743 hours remaining, 206.933594 MB of memory in use. ENERGY: 3321800 711.7408 2076.9075 1978.3760 119.5098 -205813.1070 17518.7110 0.0000 0.0000 34406.9680 -149000.8938 300.4846 -183407.8619 -148901.4911 300.6439 -114.1689 -82.3463 556812.6106 0.9601 0.9313 PRESSURE: 3322000 22.3191 41.1216 -26.329 41.1219 64.8939 -28.8165 -26.3295 -28.8174 320.629 GPRESSURE: 3322000 81.3135 84.6612 -14.5488 14.7545 62.4077 -49.2372 -34.783 -9.14003 359.051 PRESSAVG: 3322000 111.921 -35.2255 29.6223 -35.2255 -54.1167 30.3109 29.6223 30.3109 -55.5416 GPRESSAVG: 3322000 111.265 -33.2878 29.6428 -36.8249 -54.8539 27.9372 28.7102 34.1378 -54.4093 TIMING: 3322000 CPU: 9643.58, 0.00288571/step Wall: 9643.58, 0.00288571/step, 1.34506 hours remaining, 206.933594 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: 3322000 729.1574 2131.9408 1935.2719 114.8423 -206029.9906 17887.6938 0.0000 0.0000 34271.0227 -148960.0617 299.2974 -183231.0844 -148870.8408 299.5403 135.9473 167.5906 556834.5304 0.7541 0.6671 PRESSURE: 3322200 -116.503 21.1662 -33.0773 21.1657 -32.0893 31.6282 -33.0787 31.6284 88.3725 GPRESSURE: 3322200 -79.9207 -28.6604 -83.9641 2.13797 22.7396 71.6093 -57.5482 53.2501 88.0926 PRESSAVG: 3322200 16.307 37.4606 -8.45362 37.4606 23.6926 38.9662 -8.45378 38.9661 -5.83415 GPRESSAVG: 3322200 16.5387 36.9637 -10.0612 36.0235 23.8945 39.2511 -7.13079 38.7279 -5.902 TIMING: 3322200 CPU: 9644.16, 0.00290695/step Wall: 9644.16, 0.00290695/step, 1.3548 hours remaining, 206.933594 MB of memory in use. ENERGY: 3322200 721.4534 2061.6348 1954.9647 111.0566 -205962.0764 17743.1753 0.0000 0.0000 34230.3237 -149139.4677 298.9419 -183369.7915 -149036.7941 299.8464 -20.0733 10.3038 557770.2256 11.3885 11.5104 PRESSURE: 3322400 99.1442 -63.639 115.123 -63.6409 -261.338 -159.99 115.123 -159.993 -310.769 GPRESSURE: 3322400 154.579 -58.0783 45.9334 -8.35934 -210.656 -226.918 145.414 -70.6412 -310.183 PRESSAVG: 3322400 59.1771 -23.559 44.2914 -23.5591 -70.9569 -19.7459 44.2916 -19.7459 -22.0602 GPRESSAVG: 3322400 60.0863 -22.2952 48.6175 -22.7631 -71.5036 -18.6066 39.9298 -20.8526 -22.1783 TIMING: 3322400 CPU: 9644.74, 0.00290581/step Wall: 9644.74, 0.00290581/step, 1.35411 hours remaining, 206.933594 MB of memory in use. ENERGY: 3322400 756.0789 2118.0772 1963.7737 123.9417 -205901.4671 17621.5279 0.0000 0.0000 34267.3101 -149050.7575 299.2649 -183318.0676 -148951.0642 299.6151 -157.6540 -122.0864 558443.5509 -11.2800 -11.1985 PRESSURE: 3322600 285.069 109.796 56.456 109.795 168.65 -61.4021 56.4568 -61.4013 -103.59 GPRESSURE: 3322600 280.405 109.143 41.3169 136.225 194.647 -78.4593 59.9388 -216.631 -29.1628 PRESSAVG: 3322600 -28.3957 17.2291 -20.3432 17.2292 34.933 -12.3064 -20.3431 -12.3064 28.7508 GPRESSAVG: 3322600 -28.2858 14.2534 -23.9532 15.8706 36.4353 -13.8436 -17.7198 -11.4744 26.6412 TIMING: 3322600 CPU: 9645.32, 0.0028967/step Wall: 9645.32, 0.0028967/step, 1.3497 hours remaining, 206.933594 MB of memory in use. ENERGY: 3322600 736.7256 2124.2536 1917.8095 106.4246 -206165.7061 17866.2774 0.0000 0.0000 34399.3166 -149014.8990 300.4178 -183414.2155 -148918.5679 299.5213 116.7097 148.6297 556606.0052 11.7627 11.5969 PRESSURE: 3322800 115.244 -148.936 78.4602 -148.936 124.372 132.837 78.4608 132.837 -107.876 GPRESSURE: 3322800 138.927 -178.025 105.339 -129.825 162.536 216.565 34.1547 123.141 -76.1565 PRESSAVG: 3322800 37.951 -15.0387 12.965 -15.0387 27.5699 27.7394 12.965 27.7394 -77.4746 GPRESSAVG: 3322800 37.898 -15.4164 13.9979 -12.9715 26.7032 30.6427 12.8182 25.5457 -76.9672 TIMING: 3322800 CPU: 9645.9, 0.00292464/step Wall: 9645.9, 0.00292464/step, 1.36256 hours remaining, 206.933594 MB of memory in use. ENERGY: 3322800 730.4159 2122.7954 1924.3685 109.7539 -206296.5556 17948.7099 0.0000 0.0000 34458.4525 -149002.0594 300.9342 -183460.5119 -148901.3117 300.1364 43.9134 75.1023 557778.8463 -3.9846 -4.1220 PRESSURE: 3323000 247.445 138.69 16.2783 138.69 110.366 60.8085 16.2793 60.8071 247.442 GPRESSURE: 3323000 288.279 156.526 -1.45248 150.384 130.306 24.1516 25.4089 135.209 276.359 PRESSAVG: 3323000 -35.5147 7.18799 -22.6122 7.18807 20.4235 13.0858 -22.6122 13.0858 -30.5165 GPRESSAVG: 3323000 -35.5837 7.56769 -24.3861 6.09176 19.9783 11.6612 -20.0525 15.4109 -30.6519 TIMING: 3323000 CPU: 9646.49, 0.00292781/step Wall: 9646.49, 0.00292781/step, 1.36387 hours remaining, 206.933594 MB of memory in use. ENERGY: 3323000 743.7708 2136.3161 1956.9387 105.1325 -206474.5375 18084.3423 0.0000 0.0000 34320.0836 -149127.9535 299.7258 -183448.0371 -149028.6100 299.7093 201.7510 231.6481 556606.9118 -15.2026 -15.4191 PRESSURE: 3323200 227.509 245.682 33.346 245.683 160.128 45.3963 33.345 45.3975 192.716 GPRESSURE: 3323200 267.29 263.85 39.1279 254.584 170.498 -42.1128 35.447 64.3393 239.128 PRESSAVG: 3323200 -39.955 40.0289 -5.87138 40.0288 -22.5306 -27.4088 -5.87142 -27.4088 24.6138 GPRESSAVG: 3323200 -40.3297 43.3324 -4.3547 38.1505 -24.6583 -28.0851 -7.617 -25.9261 26.7087 TIMING: 3323200 CPU: 9647.07, 0.00290448/step Wall: 9647.07, 0.00290448/step, 1.35284 hours remaining, 206.933594 MB of memory in use. ENERGY: 3323200 715.7750 2096.5688 1956.1052 117.9128 -206646.7175 18090.0218 0.0000 0.0000 34519.5558 -149150.7782 301.4679 -183670.3339 -149052.9980 299.6203 193.4511 225.6388 556544.1196 -12.6239 -12.7598 PRESSURE: 3323400 -69.7914 2.69957 -115.892 2.69994 -155.222 54.7975 -115.893 54.797 -317.201 GPRESSURE: 3323400 -5.30569 -21.1756 -89.2263 5.7458 -164.632 120.022 -43.8559 89.1179 -277.914 PRESSAVG: 3323400 2.68199 -18.9571 -18.2219 -18.957 23.1878 13.9694 -18.2219 13.9694 3.74337 GPRESSAVG: 3323400 2.45672 -20.5704 -17.6586 -17.1111 24.6099 16.1141 -18.3938 10.2572 2.92135 TIMING: 3323400 CPU: 9647.65, 0.0028931/step Wall: 9647.65, 0.0028931/step, 1.34738 hours remaining, 206.933594 MB of memory in use. ENERGY: 3323400 765.9337 2104.9840 1947.9703 121.5301 -205594.8570 17575.6986 0.0000 0.0000 34044.3271 -149034.4132 297.3176 -183078.7404 -148945.3489 299.0415 -180.7382 -149.2838 559586.1945 9.8711 9.9960 PRESSURE: 3323600 -69.6699 -99.7861 -81.9113 -99.7872 -86.008 -6.99146 -81.9117 -6.99298 -26.4277 GPRESSURE: 3323600 -17.7025 -113.113 -103.142 -85.7679 -54.769 82.6895 -73.334 -94.915 -18.5069 PRESSAVG: 3323600 -25.5141 -11.2561 -23.9734 -11.2561 -6.32955 -11.4147 -23.9734 -11.4147 51.6772 GPRESSAVG: 3323600 -26.5463 -10.2386 -23.9704 -12.714 -5.20442 -11.8324 -24.0683 -10.9329 51.7779 TIMING: 3323600 CPU: 9648.23, 0.00288877/step Wall: 9648.23, 0.00288877/step, 1.34521 hours remaining, 206.933594 MB of memory in use. ENERGY: 3323600 746.2229 2073.8208 1980.5836 116.1959 -205845.4503 17659.1455 0.0000 0.0000 34332.7796 -148936.7020 299.8367 -183269.4816 -148846.7693 299.0600 -60.7019 -30.3261 559102.9192 6.6112 6.6757 PRESSURE: 3323800 -165.403 -43.5156 -188.13 -43.5134 207.124 36.573 -188.13 36.5727 79.5206 GPRESSURE: 3323800 -117.927 -11.7297 -131.051 -31.0547 243.737 18.3912 -207.296 -3.04434 86.2112 PRESSAVG: 3323800 -22.6234 -7.89912 -6.91226 -7.89918 -34.2807 34.8249 -6.9124 34.8248 43.3274 GPRESSAVG: 3323800 -22.3142 -10.2225 -6.25158 -6.10781 -34.4144 32.8886 -8.55815 34.6135 42.573 TIMING: 3323800 CPU: 9648.81, 0.0028985/step Wall: 9648.81, 0.0028985/step, 1.34957 hours remaining, 206.933594 MB of memory in use. ENERGY: 3323800 714.9024 2095.6677 1943.3441 102.0117 -205739.7434 17774.1279 0.0000 0.0000 34441.3879 -148668.3019 300.7852 -183109.6897 -148576.6948 299.8527 40.4140 70.6738 558489.1457 -4.5256 -4.7185 PRESSURE: 3324000 -70.2728 -170.778 -93.6391 -170.78 -91.3527 -0.434554 -93.6398 -0.432918 -276.589 GPRESSURE: 3324000 -55.007 -205.345 -56.957 -159.719 -30.8465 -54.1627 -71.5438 -16.4165 -261.267 PRESSAVG: 3324000 36.8029 -17.6228 -39.039 -17.6228 -5.38906 -25.3602 -39.0389 -25.3602 -42.2615 GPRESSAVG: 3324000 37.2822 -16.2736 -38.4365 -18.6727 -5.54185 -25.2956 -38.1972 -24.0319 -42.4816 TIMING: 3324000 CPU: 9649.38, 0.00289017/step Wall: 9649.38, 0.00289017/step, 1.34553 hours remaining, 206.933594 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: 3324000 763.2465 2111.2268 1958.8450 122.4220 -205802.8530 17616.4969 0.0000 0.0000 34462.8072 -148767.8085 300.9723 -183230.6157 -148665.6204 300.3237 -146.0715 -115.7067 558598.6978 -3.6159 -3.5804 PRESSURE: 3324200 -240.028 -135.275 -31.1173 -135.274 -152.463 103.117 -31.1179 103.118 -114.15 GPRESSURE: 3324200 -189.999 -106.719 98.6346 -144.004 -127.885 73.0207 -101.62 109.34 -91.8911 PRESSAVG: 3324200 22.6095 8.07506 -69.4317 8.07504 -32.5292 -67.6965 -69.4316 -67.6966 60.7849 GPRESSAVG: 3324200 23.5898 7.80874 -70.8352 8.92151 -32.4557 -66.3135 -67.5869 -68.3223 60.8243 TIMING: 3324200 CPU: 9649.96, 0.00287218/step Wall: 9649.96, 0.00287218/step, 1.337 hours remaining, 206.933594 MB of memory in use. ENERGY: 3324200 763.7883 2080.2588 1964.7984 116.8614 -205494.7607 17649.4935 0.0000 0.0000 34127.9854 -148791.5750 298.0482 -182919.5604 -148684.8146 299.9937 -168.8803 -136.5920 559412.2484 16.9551 17.3195 LDB: ============= START OF LOAD BALANCING ============== 9653.42 LDB: ============== END OF LOAD BALANCING =============== 9653.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9653.42 LDB: ============= START OF LOAD BALANCING ============== 9653.71 LDB: Largest compute 4820 load 0.028664 is 24.3% of average load 0.117800 LDB: Average compute 0.001719 is 1.5% of average load 0.117800 LDB: TIME 9653.71 LOAD: AVG 0.1178 MAX 0.17617 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.98 MB LDB: TIME 9653.71 LOAD: AVG 0.1178 MAX 0.17617 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: TIME 9653.71 LOAD: AVG 0.1178 MAX 0.17617 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.055 MB LDB: ============== END OF LOAD BALANCING =============== 9653.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9653.72 PRESSURE: 3324400 5.39026 -36.3872 68.3114 -36.3877 -14.3512 -176.063 68.3118 -176.063 -197.977 GPRESSURE: 3324400 17.3589 -62.8275 83.0313 19.6138 51.0008 -111.483 36.3583 -217.956 -183.209 PRESSAVG: 3324400 -26.6391 -19.9975 19.4927 -19.9975 -11.9621 -44.3274 19.4926 -44.3273 55.8831 GPRESSAVG: 3324400 -27.4416 -20.8225 22.7366 -20.2761 -12.154 -44.4392 17.5363 -43.7936 56.6829 TIMING: 3324400 CPU: 9650.54, 0.00292859/step Wall: 9650.54, 0.00292859/step, 1.36309 hours remaining, 206.972656 MB of memory in use. ENERGY: 3324400 692.9018 2133.8652 1953.0518 122.1998 -205932.7220 17792.4616 0.0000 0.0000 34476.3934 -148761.8484 301.0909 -183238.2418 -148665.3766 299.5302 -68.9793 -38.2833 560139.4040 5.7607 5.6957 PRESSURE: 3324600 181.657 -89.0772 -91.7953 -89.078 118.008 -81.5762 -91.795 -81.5761 335.267 GPRESSURE: 3324600 202.288 -71.1898 -114.975 -58.6549 149.982 61.9617 -29.3498 -85.6805 388.529 PRESSAVG: 3324600 -22.7818 3.16487 49.9241 3.16474 12.4002 -20.2145 49.9241 -20.2146 23.6682 GPRESSAVG: 3324600 -22.6024 5.2292 46.123 2.27385 12.5467 -20.3382 51.7952 -19.0675 23.2217 TIMING: 3324600 CPU: 9651.12, 0.00290464/step Wall: 9651.12, 0.00290464/step, 1.35179 hours remaining, 207.175781 MB of memory in use. ENERGY: 3324600 739.0742 2082.9864 1981.9231 116.2788 -205976.4744 17952.7614 0.0000 0.0000 34261.8271 -148841.6234 299.2171 -183103.4505 -148743.0329 300.3434 211.6441 246.9329 556938.1026 4.4289 4.3887 PRESSURE: 3324800 -120.76 119.097 165.887 119.096 -98.7264 -95.2965 165.887 -95.297 -30.9898 GPRESSURE: 3324800 -120.226 125.069 119.662 184.005 -57.686 -158.104 118.056 -91.8081 30.4657 PRESSAVG: 3324800 40.0101 -24.1829 13.5902 -24.1829 -17.4388 -9.4155 13.5902 -9.41544 -5.89761 GPRESSAVG: 3324800 39.4239 -25.6153 16.1162 -23.4115 -17.6415 -8.70701 11.658 -11.5367 -5.49463 TIMING: 3324800 CPU: 9651.7, 0.00287499/step Wall: 9651.7, 0.00287499/step, 1.33783 hours remaining, 207.503906 MB of memory in use. ENERGY: 3324800 798.1965 2079.3169 1978.2791 121.2391 -205958.6403 17702.6945 0.0000 0.0000 34401.8484 -148877.0656 300.4399 -183278.9141 -148781.0066 300.7078 -83.4921 -49.1487 556737.1439 5.5579 5.4293 PRESSURE: 3325000 -302.466 -15.7012 -126.823 -15.701 -117.513 125.533 -126.824 125.533 81.1024 GPRESSURE: 3325000 -238.292 -38.8622 -153.893 -93.9933 -41.589 139.096 -33.6257 101.991 44.1941 PRESSAVG: 3325000 47.292 -9.14215 40.2218 -9.14216 9.03856 -27.3756 40.2217 -27.3755 -15.9799 GPRESSAVG: 3325000 48.9019 -10.1029 37.8337 -9.40815 8.0035 -29.3781 41.4963 -26.9274 -15.976 TIMING: 3325000 CPU: 9652.28, 0.0028942/step Wall: 9652.28, 0.0028942/step, 1.34661 hours remaining, 207.503906 MB of memory in use. ENERGY: 3325000 745.3492 2142.4169 1970.4414 110.3820 -205824.3472 17629.8722 0.0000 0.0000 34314.6856 -148911.1999 299.6787 -183225.8855 -148823.9372 299.9925 -112.9588 -78.5622 559198.2883 13.4502 13.6432 PRESSURE: 3325200 -161.609 22.6263 17.8452 22.6268 -9.45633 -53.3478 17.8443 -53.3477 -65.3888 GPRESSURE: 3325200 -151.658 65.4401 58.4387 -9.51191 22.6214 -99.0521 93.2247 28.3258 -20.8261 PRESSAVG: 3325200 -16.0019 26.2799 2.88021 26.2799 -2.49929 12.4204 2.88013 12.4205 38.4153 GPRESSAVG: 3325200 -15.6195 28.1568 4.48854 25.1963 -2.27542 14.0829 2.25885 13.7583 37.7107 TIMING: 3325200 CPU: 9652.86, 0.00289943/step Wall: 9652.86, 0.00289943/step, 1.34888 hours remaining, 207.503906 MB of memory in use. ENERGY: 3325200 751.9596 2122.0563 1952.2509 110.8989 -205935.9776 17727.4038 0.0000 0.0000 34278.9250 -148992.4832 299.3664 -183271.4082 -148899.0941 300.3202 -78.8182 -49.9542 558245.5764 6.6381 6.6053 PRESSURE: 3325400 375.4 6.6855 -60.2264 6.68544 -82.0023 93.0207 -60.2273 93.0182 132.705 GPRESSURE: 3325400 338.542 -35.2297 -122.231 -20.3051 -49.5622 81.0259 -46.0006 116.515 241.655 PRESSAVG: 3325400 -13.7319 -30.1684 4.94862 -30.1685 11.54 6.56385 4.94857 6.56381 -28.0996 GPRESSAVG: 3325400 -16.2397 -31.4175 3.30456 -29.5918 14.1121 7.56 5.83856 5.28306 -28.6443 TIMING: 3325400 CPU: 9653.43, 0.00288061/step Wall: 9653.43, 0.00288061/step, 1.33996 hours remaining, 207.503906 MB of memory in use. ENERGY: 3325400 740.5602 2137.5257 1958.1943 112.4129 -206350.5970 18052.9272 0.0000 0.0000 34373.6977 -148975.2790 300.1941 -183348.9768 -148882.1407 299.7621 142.0343 176.8784 556951.0789 -10.0972 -10.2573 PRESSURE: 3325600 -73.2127 -9.28605 -77.2095 -9.28761 21.3492 8.15818 -77.2098 8.15848 157.299 GPRESSURE: 3325600 -59.9405 -16.1792 -38.0294 -69.1304 28.1259 18.0932 -31.9959 8.34223 240.157 PRESSAVG: 3325600 52.0716 -2.4235 21.4524 -2.42354 -46.7321 12.4621 21.4525 12.4622 -10.4099 GPRESSAVG: 3325600 53.2177 -3.82768 22.5537 -1.45259 -48.7622 10.0192 20.3542 13.8655 -9.43899 TIMING: 3325600 CPU: 9654.01, 0.00288163/step Wall: 9654.01, 0.00288163/step, 1.34028 hours remaining, 207.503906 MB of memory in use. ENERGY: 3325600 756.9871 2094.4908 1971.5780 111.8207 -206188.5109 17830.2935 0.0000 0.0000 34448.5544 -148974.7865 300.8478 -183423.3409 -148879.7656 300.0294 35.1451 69.4473 557843.1346 -1.6902 -1.6612 PRESSURE: 3325800 102.773 9.32107 -95.2291 9.32253 -8.2238 2.33706 -95.2292 2.3393 -111.128 GPRESSURE: 3325800 113.06 5.59077 -24.0114 -112.339 3.03149 1.99751 -120.392 48.7915 -39.2856 PRESSAVG: 3325800 32.037 -7.12652 38.786 -7.12648 15.319 1.63398 38.7858 1.63394 -33.6081 GPRESSAVG: 3325800 31.6301 -5.2892 37.4742 -7.9381 15.7424 3.65017 39.2807 0.261962 -34.5082 TIMING: 3325800 CPU: 9654.59, 0.00289669/step Wall: 9654.59, 0.00289669/step, 1.34712 hours remaining, 207.503906 MB of memory in use. ENERGY: 3325800 787.3280 2141.2301 1964.2172 110.1706 -206357.4056 17954.7181 0.0000 0.0000 34345.2926 -149054.4490 299.9460 -183399.7416 -148954.7222 299.9252 -5.5262 25.6018 559566.3768 4.5826 4.2881 PRESSURE: 3326000 2.24419 -112.751 -247.887 -112.75 -73.4606 27.9203 -247.888 27.919 -162.079 GPRESSURE: 3326000 6.79836 -135.624 -182.831 -6.2809 6.66821 55.9778 -201.002 40.6877 -137.572 PRESSAVG: 3326000 13.1452 32.5707 -71.3246 32.5707 -69.0589 -13.2765 -71.3245 -13.2764 34.4289 GPRESSAVG: 3326000 13.0835 32.5252 -70.2178 33.7948 -68.2087 -13.3129 -71.6231 -14.2201 34.1291 TIMING: 3326000 CPU: 9655.17, 0.00288692/step Wall: 9655.17, 0.00288691/step, 1.34242 hours remaining, 207.503906 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: 3326000 723.2891 2064.6862 1963.4411 119.4127 -206205.3080 17845.9964 0.0000 0.0000 34417.5904 -149070.8920 300.5774 -183488.4824 -148973.2962 299.6055 -77.7650 -41.3683 559600.0174 -7.1616 -6.9987 PRESSURE: 3326200 151.893 31.5496 -111.723 31.5508 98.0503 -5.19582 -111.723 -5.19602 15.8956 GPRESSURE: 3326200 155.013 20.9157 -56.8508 21.438 162.023 -146.021 -116.217 -2.92565 42.313 PRESSAVG: 3326200 18.9503 21.94 -39.0178 21.94 -23.5805 -92.4546 -39.0177 -92.4546 25.1077 GPRESSAVG: 3326200 18.6217 22.7972 -40.4577 21.535 -24.3119 -91.9107 -38.0521 -92.1304 26.5264 TIMING: 3326200 CPU: 9655.75, 0.00289775/step Wall: 9655.75, 0.00289775/step, 1.34729 hours remaining, 207.503906 MB of memory in use. ENERGY: 3326200 756.9129 2112.9343 1984.7909 119.2672 -206384.2951 18065.6441 0.0000 0.0000 34261.7622 -149082.9836 299.2165 -183344.7457 -148994.6870 299.5128 88.6129 119.7830 557210.3132 6.8258 6.9454 PRESSURE: 3326400 -60.6586 15.4958 -33.4287 15.4964 -85.3473 -90.213 -33.4282 -90.2136 -176.416 GPRESSURE: 3326400 -49.3004 69.7953 -124.357 65.7283 -30.898 -95.3311 116.704 -72.5473 -157.581 PRESSAVG: 3326400 -11.1315 13.9142 -14.6827 13.9141 1.85983 -13.4093 -14.6827 -13.4091 46.6485 GPRESSAVG: 3326400 -11.2076 14.951 -13.9119 13.4953 2.74625 -15.0166 -13.8887 -12.4908 45.1543 TIMING: 3326400 CPU: 9656.32, 0.00287404/step Wall: 9656.32, 0.00287404/step, 1.33611 hours remaining, 207.503906 MB of memory in use. ENERGY: 3326400 714.8392 2077.8153 1965.5987 107.1108 -206027.0034 17639.1981 0.0000 0.0000 34255.5518 -149266.8895 299.1623 -183522.4413 -149159.7173 299.0323 -107.4741 -79.2598 558253.4451 12.4589 12.2310 PRESSURE: 3326600 6.6711 68.9906 33.1104 68.9901 -139.035 -81.8949 33.1106 -81.893 -18.8811 GPRESSURE: 3326600 57.1644 155.375 29.0799 1.60912 -72.2239 -85.021 4.15279 -90.4457 -49.9339 PRESSAVG: 3326600 -20.1477 6.78967 27.0442 6.7896 28.5487 -35.8901 27.0443 -35.8901 7.55214 GPRESSAVG: 3326600 -19.7322 6.04792 26.1201 7.28329 27.038 -34.344 26.5678 -35.6217 8.01547 TIMING: 3326600 CPU: 9656.9, 0.00288045/step Wall: 9656.9, 0.00288045/step, 1.33893 hours remaining, 207.503906 MB of memory in use. ENERGY: 3326600 755.5004 2065.2726 1959.4900 117.5234 -206146.2906 17746.8472 0.0000 0.0000 34200.9906 -149300.6664 298.6858 -183501.6570 -149201.9299 298.4579 -50.4150 -21.6645 558201.4557 5.3177 5.1071 PRESSURE: 3326800 -58.058 122.885 61.7604 122.885 -23.4666 -155.606 61.7607 -155.606 -29.8055 GPRESSURE: 3326800 -17.5303 115.415 67.2097 141.161 -28.2396 -188.054 74.6971 -159.596 40.2299 PRESSAVG: 3326800 -31.9814 -54.5699 22.3807 -54.5699 32.5861 -1.0351 22.3807 -1.03506 24.1938 GPRESSAVG: 3326800 -34.0672 -55.3517 21.2818 -54.1519 34.0333 -1.64065 22.4927 -1.55945 25.1244 TIMING: 3326800 CPU: 9657.48, 0.00288513/step Wall: 9657.48, 0.00288513/step, 1.34094 hours remaining, 207.503906 MB of memory in use. ENERGY: 3326800 773.6648 2120.9811 1960.9019 110.0593 -206491.6550 17933.4568 0.0000 0.0000 34154.3738 -149438.2174 298.2786 -183592.5911 -149339.0411 298.0159 -37.1100 -1.8466 557546.1406 8.2662 8.3635 PRESSURE: 3327000 -267.438 -120.261 39.3749 -120.26 -96.6618 -8.82964 39.3745 -8.8309 -102.012 GPRESSURE: 3327000 -211.64 -131.826 27.3189 -89.7672 -80.4366 81.9387 34.1792 -39.8379 -82.0889 PRESSAVG: 3327000 -14.7575 -73.3096 37.3089 -73.3094 8.21128 16.5644 37.3089 16.5642 18.1818 GPRESSAVG: 3327000 -12.9348 -73.6751 37.46 -71.7587 6.24883 18.0141 37.1646 15.1327 17.9046 TIMING: 3327000 CPU: 9658.06, 0.00290168/step Wall: 9658.06, 0.00290168/step, 1.34847 hours remaining, 207.503906 MB of memory in use. ENERGY: 3327000 775.5975 2058.3469 1976.8060 113.2963 -206104.0564 17785.1179 0.0000 0.0000 34049.0084 -149345.8833 297.3585 -183394.8917 -149248.4544 298.8584 -155.3707 -124.7217 558709.8239 3.8785 3.7395 PRESSURE: 3327200 168.836 164.056 112.605 164.057 90.8101 136.441 112.606 136.44 -57.8817 GPRESSURE: 3327200 176.35 297.154 113.493 134.072 111.036 165.119 22.7538 128.117 13.9516 PRESSAVG: 3327200 -29.152 -7.27623 -27.9126 -7.27627 27.1503 15.83 -27.9126 15.8301 7.00628 GPRESSAVG: 3327200 -29.8001 -6.4221 -26.0209 -8.57181 27.7733 14.1319 -30.2655 18.7068 7.04735 TIMING: 3327200 CPU: 9658.63, 0.00289025/step Wall: 9658.63, 0.00289025/step, 1.343 hours remaining, 207.503906 MB of memory in use. ENERGY: 3327200 728.4987 2021.3391 1933.2359 135.8559 -206609.5447 18107.4408 0.0000 0.0000 34351.1454 -149332.0289 299.9971 -183683.1744 -149228.3160 298.9692 67.2549 100.4457 557359.7884 1.6682 1.6735 PRESSURE: 3327400 -233.407 138.204 42.4069 138.204 -21.9535 16.6536 42.4072 16.6536 -116.012 GPRESSURE: 3327400 -148.268 96.9321 138.273 127.957 -54.473 -45.8149 41.8033 10.9221 -66.9165 PRESSAVG: 3327400 42.1488 28.1922 50.094 28.1923 6.93405 35.1828 50.0939 35.1828 -42.1592 GPRESSAVG: 3327400 42.7815 27.3547 51.3699 28.0465 7.58188 37.0169 50.4648 33.0695 -43.0073 TIMING: 3327400 CPU: 9659.21, 0.00288174/step Wall: 9659.21, 0.00288174/step, 1.33889 hours remaining, 207.503906 MB of memory in use. ENERGY: 3327400 742.6339 2081.4997 1954.4049 107.0830 -206339.0122 17674.0068 0.0000 0.0000 34508.5108 -149270.8731 301.3714 -183779.3839 -149175.9930 299.1898 -123.7907 -89.8860 556163.0195 2.3079 2.4520 PRESSURE: 3327600 -23.1252 133.732 228.42 133.733 2.68893 17.6273 228.422 17.6273 -252.697 GPRESSURE: 3327600 55.162 92.26 212.057 192.149 -26.37 -13.5282 314.368 44.0628 -200.894 PRESSAVG: 3327600 5.23088 73.0284 46.9907 73.0284 29.6826 49.6835 46.9907 49.6836 7.39987 GPRESSAVG: 3327600 4.43603 72.9868 44.1315 71.6548 29.2648 48.3045 49.3747 49.4677 8.28304 TIMING: 3327600 CPU: 9659.79, 0.00289426/step Wall: 9659.79, 0.00289426/step, 1.34455 hours remaining, 207.503906 MB of memory in use. ENERGY: 3327600 763.4976 2110.4554 1975.5578 118.7114 -206368.8710 17811.4823 0.0000 0.0000 34285.9339 -149303.2326 299.4276 -183589.1665 -149203.7125 299.3754 -91.0443 -57.3674 558135.4419 14.1044 13.9946 PRESSURE: 3327800 -157.412 41.9396 111.342 41.9389 -174.806 37.9461 111.341 37.9462 138.522 GPRESSURE: 3327800 -141.737 67.0659 130.607 24.1335 -98.1909 77.7393 82.8322 -16.5231 145.019 PRESSAVG: 3327800 113.786 60.0278 48.0316 60.0277 -54.0951 29.0442 48.0315 29.0441 -9.79475 GPRESSAVG: 3327800 113.608 58.9426 49.3255 63.2092 -53.1439 28.0147 47.2988 30.7041 -10.4304 TIMING: 3327800 CPU: 9660.37, 0.00289961/step Wall: 9660.37, 0.00289961/step, 1.34687 hours remaining, 207.503906 MB of memory in use. ENERGY: 3327800 763.5470 2096.5532 1967.7132 110.4426 -205799.4017 17675.0734 0.0000 0.0000 34095.7878 -149090.2846 297.7670 -183186.0723 -148999.9690 299.8346 -64.5653 -31.6361 557851.1205 16.6320 16.6779 PRESSURE: 3328000 36.7076 4.1814 -19.4276 4.18171 -88.6194 -119.502 -19.4276 -119.504 79.859 GPRESSURE: 3328000 18.1953 73.2093 -17.1953 -31.752 -20.4262 -127.025 25.8921 -41.2981 143.894 PRESSAVG: 3328000 0.222011 -14.0042 -40.4495 -14.0043 29.4589 -30.248 -40.4494 -30.2481 -13.3644 GPRESSAVG: 3328000 0.532455 -11.9021 -41.0491 -16.4457 29.0972 -30.0148 -39.6286 -29.4831 -13.6091 TIMING: 3328000 CPU: 9660.94, 0.0028735/step Wall: 9660.94, 0.0028735/step, 1.33458 hours remaining, 207.503906 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: 3328000 744.0891 2105.8315 1957.7086 108.1513 -206460.1766 17906.6571 0.0000 0.0000 34678.3817 -148959.3574 302.8549 -183637.7391 -148862.2361 299.7651 9.3157 47.2210 556077.9323 5.4389 5.3402 PRESSURE: 3328200 24.58 18.6564 -65.3129 18.6564 60.3654 -151.138 -65.3126 -151.137 8.76047 GPRESSURE: 3328200 71.641 69.4035 -84.7587 16.5706 69.7421 -208.709 -36.1142 -94.1287 49.0679 PRESSAVG: 3328200 -47.7832 -15.0838 46.3489 -15.0838 59.0372 25.9806 46.349 25.9807 -1.41603 GPRESSAVG: 3328200 -49.4364 -16.6294 46.6038 -12.7503 59.1107 27.0482 45.342 25.538 -0.273242 TIMING: 3328200 CPU: 9661.52, 0.00287372/step Wall: 9661.52, 0.00287372/step, 1.33452 hours remaining, 207.503906 MB of memory in use. ENERGY: 3328200 701.8483 2054.7822 1986.5129 112.7940 -205879.1426 17728.7892 0.0000 0.0000 34313.1217 -148981.2943 299.6650 -183294.4160 -148887.5802 300.6208 31.2353 63.4837 557315.1535 3.2793 3.1337 LDB: ============= START OF LOAD BALANCING ============== 9664.98 LDB: ============== END OF LOAD BALANCING =============== 9664.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9664.98 LDB: ============= START OF LOAD BALANCING ============== 9665.27 LDB: Largest compute 4820 load 0.028404 is 24.1% of average load 0.117816 LDB: Average compute 0.001720 is 1.5% of average load 0.117816 LDB: TIME 9665.27 LOAD: AVG 0.117816 MAX 0.177844 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.719 MB LDB: TIME 9665.27 LOAD: AVG 0.117816 MAX 0.177844 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: TIME 9665.27 LOAD: AVG 0.117816 MAX 0.177844 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 9665.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9665.28 PRESSURE: 3328400 -128.175 -281.391 50.9812 -281.391 -188.71 -13.9394 50.9802 -13.9409 -82.3322 GPRESSURE: 3328400 -138.252 -388.753 22.1429 -89.6638 -107.071 -19.9309 48.259 -15.2274 -62.3824 PRESSAVG: 3328400 -87.1334 -28.7623 -24.422 -28.7624 95.0665 -1.04792 -24.4222 -1.04797 -5.18199 GPRESSAVG: 3328400 -85.2303 -29.0858 -23.426 -28.6702 94.082 -3.54493 -26.6894 -1.52089 -5.99685 TIMING: 3328400 CPU: 9662.11, 0.00293655/step Wall: 9662.11, 0.00293655/step, 1.36354 hours remaining, 207.421875 MB of memory in use. ENERGY: 3328400 777.3965 2080.4447 1978.1946 106.7938 -206252.2772 17772.8906 0.0000 0.0000 34543.6213 -148992.9357 301.6780 -183536.5570 -148889.3326 299.9561 -133.0723 -102.5687 557339.1056 0.9170 0.9516 PRESSURE: 3328600 -111.714 57.8911 -89.6469 57.8922 -163.811 46.1581 -89.6461 46.1589 -58.899 GPRESSURE: 3328600 -31.6946 20.5669 -14.6869 102.656 -114.636 -50.6724 -41.203 110.032 -97.5899 PRESSAVG: 3328600 -59.2125 -3.89636 59.9786 -3.89634 -21.5666 3.2826 59.9785 3.28268 17.9706 GPRESSAVG: 3328600 -59.6201 -3.79837 58.7991 -5.45227 -22.1215 5.82672 61.8905 1.18521 18.2155 TIMING: 3328600 CPU: 9662.68, 0.00289094/step Wall: 9662.68, 0.00289094/step, 1.3422 hours remaining, 207.421875 MB of memory in use. ENERGY: 3328600 753.6549 2077.1392 1992.7271 125.4636 -205913.7791 17668.0420 0.0000 0.0000 34165.2664 -149131.4858 298.3738 -183296.7522 -149038.0299 300.0992 -111.4749 -81.3067 559118.0737 -20.9361 -21.1754 PRESSURE: 3328800 -386.098 -109.95 45.7999 -109.949 166.153 72.2107 45.8008 72.2115 68.2173 GPRESSURE: 3328800 -323.633 -112.081 25.5755 -151.779 219.071 98.6951 52.6297 50.5149 58.298 PRESSAVG: 3328800 -1.12044 -13.468 33.6199 -13.468 -31.2946 -19.0915 33.6198 -19.0916 77.279 GPRESSAVG: 3328800 -1.92604 -11.0301 33.5418 -13.9393 -29.8376 -19.7306 32.7544 -18.4209 76.9196 TIMING: 3328800 CPU: 9663.26, 0.00288821/step Wall: 9663.26, 0.00288821/step, 1.34077 hours remaining, 207.679688 MB of memory in use. ENERGY: 3328800 723.6825 2134.7744 1957.1296 105.0122 -206033.4674 17738.8800 0.0000 0.0000 34292.1324 -149081.8562 299.4817 -183373.9885 -148980.3390 299.3991 -50.5759 -15.4212 559929.1388 14.9547 15.0520 PRESSURE: 3329000 213.808 -47.1882 -41.5498 -47.188 -49.5376 15.1617 -41.5499 15.1617 176.165 GPRESSURE: 3329000 251.66 -80.4587 -29.9789 -40.0664 -3.21803 53.9401 -36.1764 -49.8354 189.325 PRESSAVG: 3329000 18.5182 -34.1048 15.153 -34.1047 -105.334 -12.2578 15.1531 -12.2578 45.2505 GPRESSAVG: 3329000 19.178 -36.4681 15.5108 -33.378 -106.07 -12.6463 14.5493 -10.714 45.3498 TIMING: 3329000 CPU: 9663.84, 0.00289226/step Wall: 9663.84, 0.00289226/step, 1.34249 hours remaining, 207.679688 MB of memory in use. ENERGY: 3329000 709.7200 2108.5234 1954.8357 113.9770 -206346.5139 18105.1779 0.0000 0.0000 34280.2642 -149074.0157 299.3781 -183354.2799 -148978.6831 299.2809 113.4785 145.9224 557849.7153 -13.8550 -13.8474 PRESSURE: 3329200 -169.872 65.4526 38.7509 65.4529 -216.75 12.9651 38.7506 12.9669 -306.077 GPRESSURE: 3329200 -109.955 59.7617 91.0261 50.3229 -160.802 25.0612 -63.7748 38.6321 -309.509 PRESSAVG: 3329200 61.2906 29.132 -54.9456 29.132 -111.503 -18.3403 -54.9457 -18.3402 20.4166 GPRESSAVG: 3329200 60.1691 31.0372 -52.9841 26.9103 -112.531 -19.8458 -55.5097 -18.1677 22.3738 TIMING: 3329200 CPU: 9664.42, 0.00289514/step Wall: 9664.42, 0.00289514/step, 1.34366 hours remaining, 207.679688 MB of memory in use. ENERGY: 3329200 749.3493 2137.0128 1936.4920 108.5908 -205796.2710 17410.7999 0.0000 0.0000 33995.4714 -149458.5547 296.8909 -183454.0262 -149363.6896 299.0453 -230.9000 -193.4218 557237.1338 -9.9319 -9.9960 PRESSURE: 3329400 5.29725 19.7328 104.695 19.7322 26.0226 32.4807 104.696 32.4812 55.7361 GPRESSURE: 3329400 -28.7534 -59.6873 68.9613 135.617 130.052 8.21939 155.359 -40.38 87.305 PRESSAVG: 3329400 26.8558 42.6737 19.8937 42.6737 -5.25272 -27.4977 19.8937 -27.4977 -29.4205 GPRESSAVG: 3329400 27.445 42.9524 17.4166 43.7984 -4.50378 -24.6955 22.8208 -31.1455 -30.6371 TIMING: 3329400 CPU: 9664.99, 0.0028815/step Wall: 9664.99, 0.0028815/step, 1.33718 hours remaining, 207.679688 MB of memory in use. ENERGY: 3329400 751.1188 2083.4056 1959.4267 115.3052 -206382.7785 17985.4918 0.0000 0.0000 34010.3065 -149477.7239 297.0205 -183488.0304 -149381.5938 298.2850 29.0187 62.8678 557038.2496 -2.6058 -2.5653 PRESSURE: 3329600 -144.332 -122.548 64.5881 -122.548 232.379 -168.481 64.5899 -168.482 -51.0089 GPRESSURE: 3329600 -84.1099 -156.078 30.0964 -41.4365 241.749 -152.715 28.3094 -196.715 -39.5705 PRESSAVG: 3329600 7.40508 -9.57708 2.28751 -9.57705 70.8048 -56.7117 2.28746 -56.7117 6.37834 GPRESSAVG: 3329600 7.55774 -9.07877 2.99424 -9.60654 69.9154 -60.5584 0.10161 -53.1818 7.06636 TIMING: 3329600 CPU: 9665.58, 0.00291366/step Wall: 9665.58, 0.00291366/step, 1.35194 hours remaining, 207.679688 MB of memory in use. ENERGY: 3329600 715.9636 2099.1972 1928.5541 110.2233 -206086.3735 17717.0851 0.0000 0.0000 34109.9446 -149405.4055 297.8906 -183515.3501 -149310.7707 298.8702 12.3460 39.3560 557091.2520 28.1961 28.1798 PRESSURE: 3329800 -51.1647 124.438 47.6293 124.439 -62.2051 99.7783 47.6309 99.7781 -243.681 GPRESSURE: 3329800 -50.2972 103.432 79.386 118.43 -19.1761 97.4508 45.8732 100.985 -201.787 PRESSAVG: 3329800 -81.1036 -18.2898 -28.3376 -18.2898 6.29166 3.41779 -28.3376 3.41775 32.2184 GPRESSAVG: 3329800 -82.43 -18.8746 -28.2061 -16.5866 7.01939 6.0802 -28.3019 0.720333 32.9302 TIMING: 3329800 CPU: 9666.16, 0.00289406/step Wall: 9666.16, 0.00289406/step, 1.34268 hours remaining, 207.679688 MB of memory in use. ENERGY: 3329800 769.7961 2049.1260 1986.7070 111.3997 -206199.2121 17791.0057 0.0000 0.0000 34106.5764 -149384.6011 297.8612 -183491.1776 -149291.5140 298.3112 -119.0171 -90.4199 558735.0429 -14.1979 -14.1601 PRESSURE: 3330000 -294.889 -27.9502 39.6161 -27.95 -122.014 30.723 39.6173 30.7239 128.905 GPRESSURE: 3330000 -250.027 -66.3477 2.11269 -115.31 -94.9282 7.62191 43.1826 118.771 160.613 PRESSAVG: 3330000 -70.373 7.72767 55.3996 7.72772 34.3422 -9.58516 55.3996 -9.58524 32.8113 GPRESSAVG: 3330000 -69.7393 6.58115 56.7767 8.55247 33.1326 -10.0846 54.3753 -9.36999 33.2441 TIMING: 3330000 CPU: 9666.74, 0.00290189/step Wall: 9666.74, 0.00290189/step, 1.34615 hours remaining, 207.679688 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: 3330000 762.7314 2114.3388 1956.1566 109.8231 -206279.3889 17754.2509 0.0000 0.0000 34330.6255 -149251.4626 299.8179 -183582.0881 -149161.8686 298.8612 -95.9996 -61.4474 558055.2370 -1.0731 -1.1209 PRESSURE: 3330200 -57.6734 78.4625 17.5631 78.4617 322.06 58.9671 17.5629 58.9677 285.507 GPRESSURE: 3330200 -26.1276 79.315 102.104 56.2672 386.362 86.8994 -22.9191 99.5339 296.259 PRESSAVG: 3330200 -59.9649 -5.05864 80.5304 -5.05876 63.6912 -11.243 80.5304 -11.2429 23.992 GPRESSAVG: 3330200 -60.3788 -2.71357 80.5593 -8.79024 65.9824 -11.3003 81.7144 -10.9418 21.9708 TIMING: 3330200 CPU: 9667.32, 0.0029197/step Wall: 9667.32, 0.0029197/step, 1.35426 hours remaining, 207.679688 MB of memory in use. ENERGY: 3330200 754.3559 2131.4654 1980.8143 109.8689 -206459.1273 17887.6775 0.0000 0.0000 34249.0344 -149345.9108 299.1053 -183594.9453 -149256.3942 299.0035 183.2980 218.8311 555989.9930 9.2394 9.1915 PRESSURE: 3330400 -198.432 -85.1614 56.9124 -85.1616 -10.8851 -118.586 56.9119 -118.585 137.683 GPRESSURE: 3330400 -123.929 12.9773 41.7575 -166.808 4.08278 -141.124 53.6035 -134.715 149.25 PRESSAVG: 3330400 -95.7574 -19.2431 64.9713 -19.2431 33.1452 40.587 64.9713 40.587 58.5378 GPRESSAVG: 3330400 -96.1705 -19.1736 62.4347 -19.2307 32.9741 40.0634 65.8003 40.2379 59.1741 TIMING: 3330400 CPU: 9667.9, 0.0029048/step Wall: 9667.9, 0.0029048/step, 1.34718 hours remaining, 207.679688 MB of memory in use. ENERGY: 3330400 702.2581 2115.7396 1986.0666 107.2706 -205874.5067 17599.9333 0.0000 0.0000 34216.8728 -149146.3657 298.8245 -183363.2385 -149042.7672 299.5401 -23.8779 9.8011 556892.4443 -1.3581 -1.3407 PRESSURE: 3330600 -161.789 -9.66733 52.2097 -9.66648 -309.076 19.8078 52.21 19.8082 154.983 GPRESSURE: 3330600 -107.836 -84.2928 115.077 27.1487 -275.21 67.7858 28.0515 75.0126 168.84 PRESSAVG: 3330600 -10.1224 -43.952 -16.3907 -43.952 8.52958 -66.5545 -16.3906 -66.5545 44.6921 GPRESSAVG: 3330600 -9.48348 -45.707 -14.206 -44.0598 7.9368 -64.3737 -17.9183 -66.9752 44.6682 TIMING: 3330600 CPU: 9668.48, 0.00290874/step Wall: 9668.48, 0.00290874/step, 1.34885 hours remaining, 207.679688 MB of memory in use. ENERGY: 3330600 766.3748 2107.9030 1957.3902 126.5301 -206199.3361 17774.8132 0.0000 0.0000 34372.5860 -149093.7387 300.1843 -183466.3247 -148995.2035 298.9433 -105.2938 -71.4021 557830.0556 14.3664 14.3738 PRESSURE: 3330800 -100.036 -250.059 80.2388 -250.058 -23.3277 -133.01 80.2384 -133.012 -178.723 GPRESSURE: 3330800 -46.9345 -228.412 92.9866 -246.252 28.8902 -115.472 123.74 -92.825 -168.492 PRESSAVG: 3330800 -31.2272 2.64193 -8.5089 2.64192 19.704 -22.8768 -8.50881 -22.8768 19.6614 GPRESSAVG: 3330800 -30.3787 0.83436 -8.09457 5.96726 18.2628 -24.7708 -7.10982 -21.0012 19.7526 TIMING: 3330800 CPU: 9669.06, 0.00290343/step Wall: 9669.06, 0.00290343/step, 1.34622 hours remaining, 207.679688 MB of memory in use. ENERGY: 3330800 734.2896 2149.3846 1942.7886 122.1900 -205870.6664 17591.8692 0.0000 0.0000 34457.5286 -148872.6158 300.9262 -183330.1444 -148777.4214 299.9640 -100.6958 -62.1787 559484.2832 2.7127 2.5456 PRESSURE: 3331000 116.239 -101.556 -112.77 -101.556 -27.6741 -207.64 -112.77 -207.64 -106.075 GPRESSURE: 3331000 148.071 -83.1344 -163.005 -28.1341 3.04622 -210.525 -73.8834 -113.433 -86.4333 PRESSAVG: 3331000 -11.5859 49.5274 -21.6127 49.5275 -7.08874 -6.4384 -21.6127 -6.4384 -2.96058 GPRESSAVG: 3331000 -10.6529 52.3662 -21.8313 48.3563 -6.24716 -6.95073 -22.3708 -7.16708 -4.07824 TIMING: 3331000 CPU: 9669.65, 0.00290912/step Wall: 9669.65, 0.00290912/step, 1.3487 hours remaining, 207.679688 MB of memory in use. ENERGY: 3331000 736.7676 2122.2405 1943.8829 111.8781 -206370.3257 17993.4748 0.0000 0.0000 34494.9585 -148967.1234 301.2531 -183462.0818 -148874.1142 299.8415 -5.8370 21.5613 559229.9689 -7.2117 -6.9928 PRESSURE: 3331200 235.351 74.5881 -71.3955 74.5883 -67.912 -33.2281 -71.396 -33.229 -26.7856 GPRESSURE: 3331200 231.965 123.832 -22.4679 25.7125 -8.86214 34.397 -41.4568 -52.9029 26.2918 PRESSAVG: 3331200 -9.54729 -6.37654 -53.4281 -6.37655 45.8041 -39.5204 -53.428 -39.5204 -28.7772 GPRESSAVG: 3331200 -11.5792 -7.32039 -54.7543 -5.62922 46.547 -40.107 -53.072 -39.5157 -27.3765 TIMING: 3331200 CPU: 9670.23, 0.00291497/step Wall: 9670.23, 0.00291497/step, 1.35125 hours remaining, 207.679688 MB of memory in use. ENERGY: 3331200 733.7088 2048.3059 1963.9853 118.1625 -206346.9369 18001.1214 0.0000 0.0000 34458.9917 -149022.6614 300.9389 -183481.6531 -148927.5213 300.3089 46.8843 83.1315 558129.2565 2.4932 2.5304 PRESSURE: 3331400 -54.1136 16.2417 -5.67263 16.2423 13.6941 -1.54646 -5.67295 -1.54744 319.206 GPRESSURE: 3331400 19.5869 91.7302 20.7904 19.3038 29.6656 -0.167395 -43.0755 36.2019 327.419 PRESSAVG: 3331400 -45.9224 -15.7542 16.9492 -15.7542 -12.7963 20.0708 16.9492 20.0708 77.8839 GPRESSAVG: 3331400 -44.7256 -15.6137 17.9458 -17.5907 -13.2343 21.1459 16.4304 21.2984 77.6617 TIMING: 3331400 CPU: 9670.81, 0.00290629/step Wall: 9670.81, 0.00290629/step, 1.34707 hours remaining, 207.691406 MB of memory in use. ENERGY: 3331400 773.9248 2048.0079 1966.1188 115.4085 -206468.6506 18156.0511 0.0000 0.0000 34359.2205 -149049.9189 300.0676 -183409.1395 -148953.3033 300.1360 92.9290 125.5570 558257.9918 6.3884 6.5673 PRESSURE: 3331600 -130.461 -114.592 -9.86546 -114.592 -153.82 18.2931 -9.86628 18.2931 -153.097 GPRESSURE: 3331600 -107.762 7.69848 10.4061 -132.459 -127.501 56.3124 -3.47658 -31.9906 -97.0254 PRESSAVG: 3331600 -3.27664 -30.6671 -17.9592 -30.6671 6.95082 25.9242 -17.9592 25.9241 -64.7617 GPRESSAVG: 3331600 -3.44445 -31.2224 -18.4945 -31.8212 7.78516 26.5323 -17.3151 24.2706 -64.6938 TIMING: 3331600 CPU: 9671.39, 0.002882/step Wall: 9671.39, 0.002882/step, 1.33565 hours remaining, 207.691406 MB of memory in use. ENERGY: 3331600 746.0989 2062.7653 1970.2022 113.1154 -205770.8715 17585.2123 0.0000 0.0000 34368.6043 -148924.8731 300.1496 -183293.4774 -148824.6355 299.5908 -145.7925 -110.7626 559501.2102 -20.3625 -20.1177 PRESSURE: 3331800 -258.151 -57.1239 182.888 -57.1243 -190.206 -18.001 182.889 -17.9985 6.73904 GPRESSURE: 3331800 -211.14 -74.3117 216.88 -62.9971 -146.034 -54.3221 163.58 38.6852 22.832 PRESSAVG: 3331800 -13.1721 -66.8246 35.0718 -66.8246 -8.87323 -14.7793 35.0719 -14.7793 16.5098 GPRESSAVG: 3331800 -13.147 -66.4581 35.3853 -65.9703 -9.92901 -14.7348 35.3228 -14.7818 17.6512 TIMING: 3331800 CPU: 9671.97, 0.00290508/step Wall: 9671.97, 0.00290508/step, 1.34618 hours remaining, 207.691406 MB of memory in use. ENERGY: 3331800 735.3746 2060.4486 1962.5710 102.6303 -205767.2802 17517.6184 0.0000 0.0000 34332.4862 -149056.1510 299.8341 -183388.6372 -148961.4981 299.8077 -147.2058 -111.4471 557383.2815 -1.8452 -1.8083 PRESSURE: 3332000 293.404 -155.689 -9.39773 -155.69 221.547 -119.392 -9.39703 -119.394 129.948 GPRESSURE: 3332000 335.753 -96.3129 -60.2312 -161.422 198.304 -111.7 32.3645 -138.809 202.698 PRESSAVG: 3332000 74.3355 -12.2395 6.30335 -12.2395 -25.0548 -18.523 6.30338 -18.5229 -32.6481 GPRESSAVG: 3332000 74.1694 -10.3097 3.87245 -13.0895 -23.9923 -17.9442 6.05851 -20.7075 -33.8433 TIMING: 3332000 CPU: 9672.55, 0.00289241/step Wall: 9672.55, 0.00289241/step, 1.34015 hours remaining, 207.691406 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: 3332000 736.8699 2063.4841 1948.9991 112.7692 -206091.7816 17863.6146 0.0000 0.0000 34186.7720 -149179.2727 298.5616 -183366.0448 -149086.1163 298.8568 214.9661 245.5847 554157.9882 5.5442 5.4446 PRESSURE: 3332200 -95.175 83.8282 -96.2488 83.828 -1.42383 49.3139 -96.2497 49.3147 122.019 GPRESSURE: 3332200 -13.5241 15.8359 20.2568 121.703 -3.56572 -17.6176 -184.904 -14.627 158.01 PRESSAVG: 3332200 62.1472 -16.586 7.15918 -16.586 -42.4462 -4.45262 7.15927 -4.45281 20.9748 GPRESSAVG: 3332200 63.071 -18.1323 10.2999 -15.6098 -44.3153 -5.96432 5.67066 -1.32892 21.7736 TIMING: 3332200 CPU: 9673.13, 0.00291406/step Wall: 9673.13, 0.00291406/step, 1.35002 hours remaining, 207.890625 MB of memory in use. ENERGY: 3332200 783.3228 2101.5394 1928.9626 120.7526 -206033.0327 17815.1694 0.0000 0.0000 34053.1103 -149230.1757 297.3943 -183283.2860 -149128.7777 298.7381 8.4735 46.9733 557408.4190 13.5586 13.5097 LDB: ============= START OF LOAD BALANCING ============== 9676.6 LDB: ============== END OF LOAD BALANCING =============== 9676.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9676.6 LDB: ============= START OF LOAD BALANCING ============== 9676.89 LDB: Largest compute 4820 load 0.028462 is 24.2% of average load 0.117692 LDB: Average compute 0.001714 is 1.5% of average load 0.117692 LDB: TIME 9676.89 LOAD: AVG 0.117692 MAX 0.179896 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.336 MB LDB: TIME 9676.89 LOAD: AVG 0.117692 MAX 0.179896 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: TIME 9676.89 LOAD: AVG 0.117692 MAX 0.179896 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.34 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9676.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9676.9 PRESSURE: 3332400 309.277 -152.298 22.1561 -152.298 86.7631 -46.027 22.1573 -46.0282 -66.2745 GPRESSURE: 3332400 382.443 -110.707 120.538 -172.901 76.6237 -52.3325 60.657 -69.2149 -30.0981 PRESSAVG: 3332400 -28.8634 -8.45874 -41.5654 -8.45873 22.6339 -0.602403 -41.5655 -0.602447 19.5812 GPRESSAVG: 3332400 -29.3687 -7.54354 -41.5071 -8.58001 22.9822 -0.853196 -40.3676 0.437394 19.778 TIMING: 3332400 CPU: 9673.72, 0.00297357/step Wall: 9673.72, 0.00297358/step, 1.37743 hours remaining, 207.230469 MB of memory in use. ENERGY: 3332400 752.5435 2088.6194 1926.1875 119.1024 -206519.8756 17873.7759 0.0000 0.0000 34356.6665 -149402.9804 300.0453 -183759.6469 -149304.1772 298.7018 109.9218 142.9896 557073.2979 4.4505 4.4639 PRESSURE: 3332600 -361.732 -105.696 -248.206 -105.696 -139.586 76.3349 -248.206 76.3374 -258.153 GPRESSURE: 3332600 -298.83 -106.075 -172.229 -114.074 -169.377 94.0398 -256.099 30.957 -199.168 PRESSAVG: 3332600 66.2066 9.46537 -42.714 9.46531 -3.71747 5.21695 -42.7141 5.21697 -54.8637 GPRESSAVG: 3332600 64.8017 8.32648 -41.8534 11.6231 -3.25832 6.62789 -43.2538 4.6312 -54.4674 TIMING: 3332600 CPU: 9674.3, 0.00289652/step Wall: 9674.3, 0.00289652/step, 1.34157 hours remaining, 207.699219 MB of memory in use. ENERGY: 3332600 745.2611 2102.2486 2001.0193 112.1308 -206093.1728 17393.3826 0.0000 0.0000 34226.3959 -149512.7346 298.9076 -183739.1304 -149417.0704 299.2253 -253.1570 -222.4583 557650.6747 2.5418 2.3587 PRESSURE: 3332800 37.8804 -60.9627 64.0393 -60.9613 75.8829 -127.816 64.0398 -127.815 59.0995 GPRESSURE: 3332800 8.20277 -53.1159 82.4672 -120.338 168.296 -162.387 96.7279 -100.322 89.0442 PRESSAVG: 3332800 -18.6187 -12.3779 -68.6675 -12.3778 16.7809 -3.20434 -68.6674 -3.20429 -15.8039 GPRESSAVG: 3332800 -18.5682 -11.754 -70.7917 -13.6996 17.1877 -5.57152 -67.9783 -1.87804 -16.2929 TIMING: 3332800 CPU: 9674.88, 0.00289159/step Wall: 9674.88, 0.00289159/step, 1.33913 hours remaining, 207.699219 MB of memory in use. ENERGY: 3332800 715.9829 2105.3866 1958.1622 105.5793 -206620.9598 18126.1857 0.0000 0.0000 34031.6948 -149577.9683 297.2073 -183609.6630 -149476.7841 298.4253 57.6209 88.5145 557716.0535 -5.8806 -5.8911 PRESSURE: 3333000 -180.039 -76.8205 59.278 -76.8214 258.815 68.2717 59.2787 68.2721 223.364 GPRESSURE: 3333000 -135.9 -125.342 -76.3816 -78.3188 316.067 53.4017 108.878 110.916 221.75 PRESSAVG: 3333000 -39.9325 1.73423 2.14371 1.73418 66.535 -15.4912 2.14373 -15.4912 33.6001 GPRESSAVG: 3333000 -38.2224 0.303725 2.00649 2.17786 65.4806 -14.2993 3.90411 -16.3164 32.6988 TIMING: 3333000 CPU: 9675.46, 0.00291165/step Wall: 9675.46, 0.00291165/step, 1.34825 hours remaining, 207.699219 MB of memory in use. ENERGY: 3333000 731.0211 2094.3609 1950.7847 110.3524 -206992.4833 18202.5219 0.0000 0.0000 34351.7892 -149551.6532 300.0027 -183903.4424 -149458.2775 298.4339 100.7133 133.9724 556311.1102 20.0675 19.9856 PRESSURE: 3333200 -58.8767 -122.168 42.012 -122.168 -217.752 61.827 42.0107 61.8268 97.8578 GPRESSURE: 3333200 75.0179 -101.122 30.2376 -78.2231 -236.205 43.6103 -44.658 26.7467 79.5743 PRESSAVG: 3333200 24.3238 -15.4805 68.7165 -15.4805 41.279 60.0848 68.7164 60.0849 -55.6409 GPRESSAVG: 3333200 23.61 -15.3432 67.0702 -16.9638 41.6137 59.4452 66.2156 60.8997 -55.362 TIMING: 3333200 CPU: 9676.04, 0.00289646/step Wall: 9676.04, 0.00289646/step, 1.34106 hours remaining, 207.699219 MB of memory in use. ENERGY: 3333200 750.4642 2110.2704 1949.5483 97.3171 -206186.6147 17637.2165 0.0000 0.0000 34072.8506 -149568.9477 297.5667 -183641.7982 -149471.8675 298.2977 -59.5903 -27.2042 556286.2815 3.3206 3.2872 PRESSURE: 3333400 -157.611 -51.4511 155.313 -51.4511 -152.769 51.1563 155.312 51.1545 -6.79696 GPRESSURE: 3333400 -148.955 -150.515 134.045 -75.0427 -95.43 26.5186 162.209 153.595 26.2598 PRESSAVG: 3333400 9.29786 -45.909 22.0617 -45.9091 -14.9845 -33.0488 22.0618 -33.0487 -26.2508 GPRESSAVG: 3333400 10.2119 -43.9782 24.0573 -44.9409 -15.9073 -30.957 22.7718 -34.1435 -26.5163 TIMING: 3333400 CPU: 9676.62, 0.00290163/step Wall: 9676.62, 0.00290163/step, 1.34329 hours remaining, 207.699219 MB of memory in use. ENERGY: 3333400 747.3071 2074.9625 1945.5114 110.1082 -206287.0284 17712.6759 0.0000 0.0000 34061.5491 -149634.9142 297.4680 -183696.4633 -149540.1676 298.3904 -105.7255 -72.7083 557266.7292 -10.6458 -10.7372 PRESSURE: 3333600 -71.0192 77.1242 -24.5478 77.1233 -102.474 -38.2666 -24.5473 -38.2662 -174.729 GPRESSURE: 3333600 -62.9718 149.496 -39.8391 -15.3707 -74.5905 23.5071 43.4817 -62.1736 -123.929 PRESSAVG: 3333600 -43.5004 -62.5738 35.9988 -62.5738 70.9229 -14.0897 35.9988 -14.0897 -26.7426 GPRESSAVG: 3333600 -44.6857 -62.6221 34.3573 -64.0916 71.7103 -15.5714 34.1202 -12.7259 -26.452 TIMING: 3333600 CPU: 9677.2, 0.00289072/step Wall: 9677.2, 0.00289072/step, 1.33808 hours remaining, 207.699219 MB of memory in use. ENERGY: 3333600 762.8915 2132.3324 1943.6046 124.8990 -206521.3367 17840.9028 0.0000 0.0000 33983.9044 -149732.8019 296.7899 -183716.7064 -149635.0705 297.7419 -116.0742 -87.1636 558493.3396 0.2266 0.1909 PRESSURE: 3333800 6.47819 77.0799 -45.6043 77.0797 -211.551 -20.3592 -45.603 -20.3591 -22.5519 GPRESSURE: 3333800 53.3613 7.02646 -111.442 111.908 -209.654 30.178 10.7174 -16.4239 31.8535 PRESSAVG: 3333800 -19.6536 -17.6748 -11.261 -17.6748 83.2877 1.39698 -11.2611 1.39717 -51.1103 GPRESSAVG: 3333800 -19.4839 -19.9609 -11.3574 -15.183 82.898 3.59564 -7.80714 -0.471803 -51.1046 TIMING: 3333800 CPU: 9677.78, 0.00287815/step Wall: 9677.78, 0.00287815/step, 1.3321 hours remaining, 207.699219 MB of memory in use. ENERGY: 3333800 792.7285 2131.0870 1967.0407 122.1566 -206680.5040 17830.0003 0.0000 0.0000 33934.6699 -149902.8210 296.3599 -183837.4909 -149812.2409 297.4979 -75.8750 -41.4799 557243.1572 4.1746 4.1032 PRESSURE: 3334000 -222.912 123.881 194.335 123.88 -187.072 -13.4155 194.334 -13.4139 -65.6616 GPRESSURE: 3334000 -163.583 222.937 287.573 -5.29596 -179.432 4.76565 129.15 -16.1931 -34.3202 PRESSAVG: 3334000 33.6981 8.27148 -4.65876 8.27153 -23.5907 24.1795 -4.65875 24.1795 -22.8984 GPRESSAVG: 3334000 34.4274 9.00844 -2.83754 7.68543 -24.1869 23.3052 -7.97655 23.3106 -22.7226 TIMING: 3334000 CPU: 9678.36, 0.00289567/step Wall: 9678.36, 0.00289567/step, 1.34005 hours remaining, 207.699219 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: 3334000 726.0546 2094.6215 1961.8169 130.8397 -206458.6693 17626.8463 0.0000 0.0000 33838.0535 -150080.4367 295.5161 -183918.4902 -149986.6349 296.7400 -158.5485 -125.7783 556904.5128 -4.2637 -4.1607 PRESSURE: 3334200 -21.9919 110.743 -48.5403 110.743 91.933 -5.52425 -48.5403 -5.52411 -155.072 GPRESSURE: 3334200 44.9512 157.717 -64.7698 38.8207 119.181 -28.1286 -112.896 30.449 -160.598 PRESSAVG: 3334200 -35.2443 -7.32754 -19.8307 -7.32762 -32.2868 -7.0757 -19.8307 -7.07565 89.3208 GPRESSAVG: 3334200 -35.0886 -5.74114 -19.074 -8.45833 -31.6209 -8.71193 -19.373 -5.70312 88.4504 TIMING: 3334200 CPU: 9678.93, 0.00289186/step Wall: 9678.93, 0.00289186/step, 1.33813 hours remaining, 207.699219 MB of memory in use. ENERGY: 3334200 745.8605 2154.8897 1949.6951 125.7534 -206849.7781 17867.9366 0.0000 0.0000 34031.6898 -149973.9529 297.2072 -184005.6427 -149879.5756 296.7008 -28.3769 1.1779 556166.7733 7.2632 7.2469 PRESSURE: 3334400 -35.398 103.288 186.765 103.289 70.8832 -55.6911 186.766 -55.6903 -57.3229 GPRESSURE: 3334400 -44.2578 87.8853 230.397 111.462 107.157 2.25668 123.74 -129.263 7.80183 PRESSAVG: 3334400 38.527 27.3491 10.9516 27.3491 -63.0606 -3.92729 10.9517 -3.9272 16.6161 GPRESSAVG: 3334400 37.8561 26.9883 7.93747 28.0295 -63.6785 -1.38107 13.0777 -3.53297 17.5877 TIMING: 3334400 CPU: 9679.51, 0.0028908/step Wall: 9679.51, 0.00289081/step, 1.33748 hours remaining, 207.699219 MB of memory in use. ENERGY: 3334400 778.1574 2106.0165 1989.0275 115.5803 -206703.9330 17786.1632 0.0000 0.0000 34008.7448 -149920.2434 297.0068 -183928.9882 -149831.8201 297.5003 -7.2792 23.5670 555481.7892 -2.6392 -2.7449 PRESSURE: 3334600 269.586 -116.938 -31.0625 -116.937 105.757 161.892 -31.0618 161.894 -300.918 GPRESSURE: 3334600 320.351 -106.385 104.414 -155.523 128.998 80.5486 -91.0844 187.228 -273.596 PRESSAVG: 3334600 64.2395 18.7554 21.8333 18.7554 37.1876 -2.45613 21.8333 -2.4561 -45.4102 GPRESSAVG: 3334600 64.9455 16.8942 24.0134 21.1317 38.0394 -2.8701 20.86 -3.92411 -46.8306 TIMING: 3334600 CPU: 9680.09, 0.00290254/step Wall: 9680.09, 0.00290254/step, 1.34275 hours remaining, 207.699219 MB of memory in use. ENERGY: 3334600 771.0741 2020.9909 1992.4727 112.7660 -206493.4608 17820.2750 0.0000 0.0000 33896.6037 -149879.2784 296.0275 -183775.8821 -149780.6659 296.8101 24.8085 58.5842 557346.8840 18.6723 18.7181 PRESSURE: 3334800 133.88 -13.1578 50.8532 -13.1571 208.089 -62.5654 50.8533 -62.5643 273.983 GPRESSURE: 3334800 245.404 18.8562 98.6023 -20.7698 183.085 6.74132 -22.1195 -43.6954 279.475 PRESSAVG: 3334800 -43.0808 -10.2732 3.24792 -10.2732 15.3164 46.8765 3.24794 46.8765 17.4701 GPRESSAVG: 3334800 -42.787 -8.06424 3.00628 -11.0875 13.8466 45.6897 3.39621 48.5737 18.1691 TIMING: 3334800 CPU: 9680.67, 0.00287804/step Wall: 9680.67, 0.00287804/step, 1.33126 hours remaining, 207.902344 MB of memory in use. ENERGY: 3334800 660.6886 2111.1926 1941.7048 106.9120 -206756.4686 18107.6299 0.0000 0.0000 33925.4102 -149902.9305 296.2790 -183828.3407 -149806.8461 296.4098 205.3172 235.9882 557752.6853 -3.4314 -3.5905 PRESSURE: 3335000 234.862 -170.5 39.2257 -170.499 303.911 93.5225 39.2261 93.5226 63.5198 GPRESSURE: 3335000 290.22 -119.293 77.0619 -123.328 299.426 114.792 64.5926 71.058 117.407 PRESSAVG: 3335000 24.1514 2.09974 -25.6853 2.09979 9.97965 -0.75285 -25.6854 -0.752923 -0.827872 GPRESSAVG: 3335000 23.5223 0.244023 -24.1415 1.24985 10.7659 0.435398 -27.5153 -1.43264 -1.79815 TIMING: 3335000 CPU: 9681.25, 0.00289932/step Wall: 9681.25, 0.00289932/step, 1.34094 hours remaining, 207.902344 MB of memory in use. ENERGY: 3335000 734.0882 2071.3566 1964.7017 114.6845 -206905.3032 18334.5481 0.0000 0.0000 33932.2379 -149753.6862 296.3387 -183685.9241 -149657.1437 296.8680 200.7642 235.6843 557910.2280 11.1010 10.8300 PRESSURE: 3335200 361.387 -16.6203 -35.8773 -16.6211 -244.495 -48.7323 -35.8762 -48.7327 15.9798 GPRESSURE: 3335200 351.246 -23.9703 24.0988 -38.753 -147.372 -82.1105 -24.97 10.4263 19.0403 PRESSAVG: 3335200 -23.2947 11.4592 63.3888 11.4592 42.9485 29.4187 63.3888 29.4187 1.46183 GPRESSAVG: 3335200 -23.1579 13.8624 62.5769 11.7476 42.5774 28.803 62.7597 29.7121 1.59863 TIMING: 3335200 CPU: 9681.83, 0.00288179/step Wall: 9681.83, 0.00288179/step, 1.33267 hours remaining, 207.902344 MB of memory in use. ENERGY: 3335200 756.4991 2080.8782 1969.7764 117.9273 -206796.9362 17937.5470 0.0000 0.0000 34099.7421 -149834.5661 297.8015 -183934.3082 -149742.6908 297.9051 44.2906 74.3049 556153.2978 7.0385 7.0060 PRESSURE: 3335400 17.0474 157.393 -113.777 157.392 -4.29384 -0.886939 -113.779 -0.886417 9.22683 GPRESSURE: 3335400 89.8579 138.332 -155.008 132.961 0.472339 -47.654 -49.7407 12.4993 42.044 PRESSAVG: 3335400 36.6762 -10.9374 37.3119 -10.9374 -27.5403 37.2005 37.312 37.2005 28.9709 GPRESSAVG: 3335400 36.0578 -11.126 35.6602 -13.5802 -26.7739 37.9666 39.7742 36.1416 29.1888 TIMING: 3335400 CPU: 9682.41, 0.00290491/step Wall: 9682.41, 0.00290491/step, 1.3432 hours remaining, 207.902344 MB of memory in use. ENERGY: 3335400 716.5681 2058.1926 1964.2212 105.6162 -206758.0305 17995.1071 0.0000 0.0000 34128.0414 -149790.2839 298.0487 -183918.3252 -149701.2440 296.6295 7.3268 44.1248 556876.8040 12.7023 12.8242 PRESSURE: 3335600 77.9759 64.9534 -14.354 64.9523 -228.472 93.0381 -14.3547 93.0371 -24.59 GPRESSURE: 3335600 96.68 100.061 61.1855 -37.7343 -181.354 89.0705 -7.31586 134.222 10.7164 PRESSAVG: 3335600 33.6108 -5.11838 -22.0135 -5.11841 -44.2255 29.4689 -22.0136 29.4688 -1.77663 GPRESSAVG: 3335600 34.3185 -5.41396 -21.5223 -0.904619 -45.4249 29.1535 -22.6179 30.3018 -1.67691 TIMING: 3335600 CPU: 9682.99, 0.00291015/step Wall: 9682.99, 0.00291015/step, 1.34546 hours remaining, 207.902344 MB of memory in use. ENERGY: 3335600 744.4640 2064.6114 1973.1707 114.6045 -206346.3285 17855.4742 0.0000 0.0000 34033.9440 -149560.0597 297.2269 -183594.0037 -149470.3737 297.9131 -58.3619 -24.6526 557738.1662 -4.1304 -4.2611 PRESSURE: 3335800 -324.646 -102.383 -102.398 -102.384 130.703 -71.1418 -102.398 -71.1422 -266.679 GPRESSURE: 3335800 -312.04 -101.52 -154.272 -48.6412 160.738 -7.78046 -99.8412 -48.1247 -216.658 PRESSAVG: 3335800 -4.16419 -20.5461 40.7187 -20.546 -19.086 46.2242 40.7187 46.2242 28.4856 GPRESSAVG: 3335800 -3.97417 -21.261 41.429 -21.5542 -19.2824 44.9203 40.0232 46.0227 28.6353 TIMING: 3335800 CPU: 9683.57, 0.0028929/step Wall: 9683.57, 0.0028929/step, 1.33733 hours remaining, 207.902344 MB of memory in use. ENERGY: 3335800 719.7840 2134.7316 1951.3480 111.3736 -206315.6435 17738.0489 0.0000 0.0000 34036.5545 -149623.8028 297.2497 -183660.3573 -149527.5590 297.9653 -153.5409 -122.6532 558483.3419 1.7451 1.7929 PRESSURE: 3336000 -69.5665 232.695 60.5614 232.696 11.9979 -10.9068 60.5611 -10.9068 120.75 GPRESSURE: 3336000 -15.2583 222.695 75.5461 249.918 52.7294 -73.6097 34.1794 -8.05505 114.41 PRESSAVG: 3336000 -0.614454 7.06459 36.7829 7.06458 -92.4084 21.3604 36.7829 21.3604 60.8608 GPRESSAVG: 3336000 -0.554487 6.75454 35.9758 6.51807 -91.2702 22.5377 38.089 21.8895 59.4277 TIMING: 3336000 CPU: 9684.14, 0.00286833/step Wall: 9684.14, 0.00286833/step, 1.3258 hours remaining, 207.902344 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: 3336000 738.4275 2062.8677 1927.0439 112.3481 -206392.2718 17959.5083 0.0000 0.0000 34050.3928 -149541.6834 297.3705 -183592.0762 -149438.8477 297.2777 21.0605 50.6271 557066.6310 -10.7207 -10.7990 PRESSURE: 3336200 -70.2988 135.232 153.006 135.231 -97.3475 -18.2681 153.006 -18.2703 -191.329 GPRESSURE: 3336200 -8.76237 195.43 -7.84503 102.382 -88.9315 -53.929 251.243 -7.95917 -167.043 PRESSAVG: 3336200 49.2965 56.565 42.2938 56.5649 28.1493 12.2292 42.2939 12.2291 -24.6398 GPRESSAVG: 3336200 50.1109 56.5851 43.3364 56.4909 27.466 11.9822 42.9026 12.4788 -24.4122 TIMING: 3336200 CPU: 9684.72, 0.00288813/step Wall: 9684.72, 0.00288813/step, 1.3348 hours remaining, 207.902344 MB of memory in use. ENERGY: 3336200 780.4175 2095.4844 1922.2242 108.7155 -206322.8682 17787.3036 0.0000 0.0000 34001.5527 -149627.1703 296.9440 -183628.7230 -149531.2091 297.9061 -119.6585 -88.2457 555766.3260 17.6020 17.7215 LDB: ============= START OF LOAD BALANCING ============== 9688.18 LDB: ============== END OF LOAD BALANCING =============== 9688.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9688.18 LDB: ============= START OF LOAD BALANCING ============== 9688.47 LDB: Largest compute 4820 load 0.029577 is 25.1% of average load 0.117782 LDB: Average compute 0.001718 is 1.5% of average load 0.117782 LDB: TIME 9688.47 LOAD: AVG 0.117782 MAX 0.177611 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 9688.47 LOAD: AVG 0.117782 MAX 0.177611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 9688.47 LOAD: AVG 0.117782 MAX 0.177611 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9688.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9688.48 PRESSURE: 3336400 179.265 -0.0926032 -117.3 -0.0944083 -246.708 -36.1531 -117.301 -36.1551 167.519 GPRESSURE: 3336400 197.813 40.9749 -144.266 -34.9196 -157.549 -3.20167 -114.563 -48.9882 154.657 PRESSAVG: 3336400 64.5112 3.6141 22.873 3.6141 -117.112 -9.08038 22.8729 -9.08041 54.368 GPRESSAVG: 3336400 62.1537 2.35167 22.9606 5.09822 -115.827 -10.0874 20.6079 -9.4131 55.3089 TIMING: 3336400 CPU: 9685.3, 0.00292848/step Wall: 9685.3, 0.00292848/step, 1.35328 hours remaining, 206.402344 MB of memory in use. ENERGY: 3336400 713.2548 2124.5506 1940.3638 117.0872 -206567.9467 17937.8930 0.0000 0.0000 34120.4003 -149614.3969 297.9819 -183734.7972 -149514.7709 298.4531 33.3586 64.9736 555766.9550 0.5890 0.5451 PRESSURE: 3336600 377.856 46.3169 17.7428 46.3166 -68.1125 -81.9312 17.7428 -81.9304 -164.765 GPRESSURE: 3336600 390.421 170.232 -22.5216 -19.5716 2.69279 2.75952 92.0017 -124.725 -167.52 PRESSAVG: 3336600 50.5252 17.5726 -14.3698 17.5727 -45.19 -7.76573 -14.3698 -7.76578 2.95443 GPRESSAVG: 3336600 50.9972 19.8509 -14.4725 16.4635 -44.7341 -6.14491 -14.0067 -9.82024 1.47608 TIMING: 3336600 CPU: 9685.88, 0.00288315/step Wall: 9685.88, 0.00288315/step, 1.33218 hours remaining, 206.605469 MB of memory in use. ENERGY: 3336600 778.6054 2097.2314 1943.5219 115.9762 -206645.3556 17897.7605 0.0000 0.0000 34134.2019 -149678.0583 298.1025 -183812.2602 -149586.3029 297.9737 48.3261 75.1977 556875.0085 2.7632 2.5797 PRESSURE: 3336800 48.0753 8.03788 120.68 8.03767 -227.936 84.0078 120.68 84.0075 -167.31 GPRESSURE: 3336800 40.863 -25.537 87.9997 107.489 -161.561 141.228 161.052 73.2032 -130.806 PRESSAVG: 3336800 16.5277 36.7455 20.4069 36.7455 1.87272 37.2283 20.407 37.2282 -22.3257 GPRESSAVG: 3336800 17.6717 37.9357 19.6572 37.2305 0.518472 36.2173 21.41 38.4146 -22.1832 TIMING: 3336800 CPU: 9686.46, 0.00288967/step Wall: 9686.46, 0.00288967/step, 1.33503 hours remaining, 206.695312 MB of memory in use. ENERGY: 3336800 793.1739 2091.1832 1950.3457 113.3419 -206284.7622 17783.2246 0.0000 0.0000 33927.1894 -149626.3035 296.2946 -183553.4930 -149531.9930 297.8038 -115.7234 -83.8345 556736.6193 -1.3084 -1.3310 PRESSURE: 3337000 -210.78 216.436 0.677655 216.435 -263.499 54.411 0.67677 54.4115 -77.5685 GPRESSURE: 3337000 -238.174 195.074 1.46092 237.924 -243.776 142.061 6.60061 40.6667 25.7595 PRESSAVG: 3337000 23.012 -26.4805 73.3878 -26.4804 -7.43477 -31.8784 73.3878 -31.8783 -11.414 GPRESSAVG: 3337000 21.0041 -29.8503 72.8837 -25.5078 -6.73288 -31.901 73.6792 -29.6806 -9.51235 TIMING: 3337000 CPU: 9687.04, 0.00289703/step Wall: 9687.04, 0.00289703/step, 1.33827 hours remaining, 206.695312 MB of memory in use. ENERGY: 3337000 701.3284 2120.5234 1959.4722 107.1509 -206197.2439 17680.4768 0.0000 0.0000 34110.5074 -149517.7848 297.8955 -183628.2922 -149421.0803 298.6225 -183.9492 -152.0636 558775.6338 1.3877 1.5863 PRESSURE: 3337200 328.913 -35.5898 -52.166 -35.5902 -30.9662 -26.7517 -52.167 -26.751 54.0425 GPRESSURE: 3337200 374.746 -89.7949 -17.4149 -2.86468 -9.76395 -58.1506 -59.3409 78.3474 95.6795 PRESSAVG: 3337200 27.0892 -13.9359 -55.3548 -13.936 -85.9355 -3.77002 -55.3547 -3.77011 8.66325 GPRESSAVG: 3337200 27.6345 -10.9389 -56.0281 -16.0842 -86.161 -4.46763 -56.5892 -5.43739 7.95359 TIMING: 3337200 CPU: 9687.62, 0.00289872/step Wall: 9687.62, 0.00289872/step, 1.33889 hours remaining, 206.695312 MB of memory in use. ENERGY: 3337200 707.9415 2030.8625 1953.0839 110.5095 -206740.5318 18113.0802 0.0000 0.0000 34185.1750 -149639.8792 298.5476 -183825.0542 -149542.6322 297.8067 117.3298 153.5540 558358.5957 -16.7277 -16.8576 PRESSURE: 3337400 13.6646 83.712 43.7102 83.7123 -220.592 -2.8097 43.7114 -2.80828 3.99303 GPRESSURE: 3337400 46.6923 86.9992 14.1033 95.4727 -173.681 -6.69352 23.8124 64.1511 26.8607 PRESSAVG: 3337400 3.66148 22.5246 17.7729 22.5246 -37.5699 -14.1991 17.7729 -14.199 24.9804 GPRESSAVG: 3337400 4.91516 21.2747 21.17 22.277 -38.1962 -14.1195 18.11 -14.4882 24.3933 TIMING: 3337400 CPU: 9688.2, 0.00289321/step Wall: 9688.2, 0.00289321/step, 1.33618 hours remaining, 206.695312 MB of memory in use. ENERGY: 3337400 755.5084 2099.2190 1955.1524 111.6817 -206539.8908 17967.1028 0.0000 0.0000 33988.1766 -149663.0498 296.8272 -183651.2264 -149569.1073 297.5654 -67.6447 -33.3761 558410.3377 -2.9760 -2.9626 PRESSURE: 3337600 -137.462 20.5296 -26.0909 20.529 51.2605 -70.5813 -26.0915 -70.582 -396.455 GPRESSURE: 3337600 -120.692 55.028 -59.5467 48.4608 85.4519 -50.8973 -46.2433 -47.5484 -337.139 PRESSAVG: 3337600 22.7292 2.81271 72.0031 2.81277 38.3154 -24.7564 72.003 -24.7564 -59.1052 GPRESSAVG: 3337600 21.4377 3.60844 70.9448 2.86456 38.4221 -24.602 71.1035 -24.0043 -57.8001 TIMING: 3337600 CPU: 9688.77, 0.00288245/step Wall: 9688.77, 0.00288245/step, 1.33105 hours remaining, 206.695312 MB of memory in use. ENERGY: 3337600 727.7569 2091.6383 1919.6473 109.7584 -206187.9141 17576.5531 0.0000 0.0000 34222.6166 -149539.9435 298.8746 -183762.5601 -149443.2661 298.0022 -160.8856 -124.1265 557428.2018 0.6465 0.6866 PRESSURE: 3337800 -163.825 -206.728 -15.3607 -206.727 -203.02 -8.67003 -15.3616 -8.66926 -155.08 GPRESSURE: 3337800 -170.289 -325.826 66.4793 -146.353 -166.193 -53.4762 -0.631256 29.1877 -97.6747 PRESSAVG: 3337800 59.8843 6.73109 -17.0195 6.73098 -52.0855 38.346 -17.0195 38.3461 6.41715 GPRESSAVG: 3337800 59.8401 8.56323 -20.0713 6.39837 -52.0953 40.1738 -16.1995 36.3405 6.18328 TIMING: 3337800 CPU: 9689.35, 0.00287303/step Wall: 9689.35, 0.00287303/step, 1.32654 hours remaining, 206.695312 MB of memory in use. ENERGY: 3337800 761.5174 2036.4995 1977.6374 109.1289 -206271.6082 17752.1806 0.0000 0.0000 34080.1043 -149554.5401 297.6300 -183634.6443 -149459.6609 298.1144 -173.9749 -144.7190 557442.7767 4.7387 4.6427 PRESSURE: 3338000 266.771 32.3258 -77.5753 32.3247 249.846 139.906 -77.576 139.906 207.476 GPRESSURE: 3338000 283.634 -1.78396 -166.038 35.7342 274.213 55.6005 -45.9547 155.593 261.391 PRESSAVG: 3338000 91.1756 12.2533 -11.5502 12.2533 -80.0688 -22.9183 -11.5501 -22.9182 -24.9482 GPRESSAVG: 3338000 91.9573 11.2506 -11.3807 12.9072 -80.2825 -24.522 -11.2183 -21.7209 -25.4945 TIMING: 3338000 CPU: 9689.92, 0.00288309/step Wall: 9689.92, 0.00288309/step, 1.33103 hours remaining, 206.695312 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: 3338000 713.0554 2073.5490 1963.7289 107.5224 -206934.2449 18345.6307 0.0000 0.0000 34361.4001 -149369.3584 300.0867 -183730.7585 -149265.5375 298.5170 241.3645 273.0793 557430.4528 -4.6138 -4.6065 PRESSURE: 3338200 40.0304 -44.9007 -165.463 -44.9008 5.992 93.6547 -165.464 93.654 215.751 GPRESSURE: 3338200 77.4716 -74.6233 -194.239 -48.454 55.1674 121.299 -179.38 78.5071 226.651 PRESSAVG: 3338200 53.0303 -15.3084 5.80403 -15.3084 10.3216 54.5722 5.80404 54.5721 -19.8738 GPRESSAVG: 3338200 52.6155 -17.3917 7.00436 -13.9541 9.99349 55.1896 3.05983 55.362 -19.6339 TIMING: 3338200 CPU: 9690.5, 0.00289519/step Wall: 9690.5, 0.00289519/step, 1.33645 hours remaining, 206.695312 MB of memory in use. ENERGY: 3338200 710.7737 2049.9929 1932.4106 119.2735 -206095.8911 17855.5322 0.0000 0.0000 34103.2458 -149324.6625 297.8321 -183427.9083 -149223.6240 298.2713 87.2579 119.7633 557286.4045 14.4927 14.3250 PRESSURE: 3338400 -206.542 74.535 221.369 74.5347 -32.6472 66.8265 221.37 66.8283 15.4331 GPRESSURE: 3338400 -152.838 26.4208 220.546 126.403 -30.4605 -15.5312 164.737 118.405 47.4184 PRESSAVG: 3338400 42.8146 2.85119 -18.1322 2.85124 41.3029 -12.7326 -18.1322 -12.7326 -39.8117 GPRESSAVG: 3338400 42.9703 1.58814 -18.4366 4.88481 41.8266 -11.5782 -16.2536 -12.583 -40.1899 TIMING: 3338400 CPU: 9691.08, 0.00289672/step Wall: 9691.08, 0.00289672/step, 1.337 hours remaining, 206.695312 MB of memory in use. ENERGY: 3338400 751.7534 2071.0589 1963.2940 105.9114 -206348.3784 17904.0562 0.0000 0.0000 34183.3748 -149368.9297 298.5319 -183552.3045 -149269.3384 298.9468 -74.5855 -45.2932 556568.1704 14.7686 14.8690 PRESSURE: 3338600 -272.518 65.9523 89.2127 65.9515 27.2596 -61.252 89.2124 -61.2514 -273.861 GPRESSURE: 3338600 -292.876 -10.2736 96.4747 77.0996 65.8814 -75.8318 90.6508 -60.5062 -195.618 PRESSAVG: 3338600 23.8833 3.00038 17.3363 3.00035 19.3042 8.08813 17.3362 8.08797 -31.288 GPRESSAVG: 3338600 24.1978 3.50568 18.8952 1.7939 19.1094 8.43305 16.9005 6.25674 -31.5296 TIMING: 3338600 CPU: 9691.66, 0.00291024/step Wall: 9691.66, 0.00291024/step, 1.34307 hours remaining, 206.765625 MB of memory in use. ENERGY: 3338600 781.9832 2099.4500 1969.3920 112.4315 -206209.7730 17733.8893 0.0000 0.0000 34195.3826 -149317.2445 298.6368 -183512.6271 -149218.8546 298.6345 -173.0397 -140.8710 557517.6296 3.9665 3.9259 PRESSURE: 3338800 -231.951 19.5455 -66.6974 19.5444 50.6229 -37.3494 -66.6978 -37.3475 193.223 GPRESSURE: 3338800 -168.145 98.2544 20.2996 18.2892 80.6697 -53.8685 -113.306 19.0175 206.33 PRESSAVG: 3338800 -37.8127 7.75722 -36.2186 7.75724 96.0908 -4.73967 -36.2186 -4.73951 -44.8297 GPRESSAVG: 3338800 -38.6304 10.0103 -36.8587 5.25326 95.9743 -4.54829 -34.8772 -5.35226 -43.9972 TIMING: 3338800 CPU: 9692.24, 0.00289903/step Wall: 9692.24, 0.00289903/step, 1.33774 hours remaining, 206.765625 MB of memory in use. ENERGY: 3338800 716.6329 2066.1266 1943.0779 128.2951 -206167.7214 17678.3087 0.0000 0.0000 34220.8603 -149414.4200 298.8593 -183635.2802 -149322.9574 298.7818 3.9652 39.6181 554403.0858 4.4828 4.4489 PRESSURE: 3339000 -135.649 -39.781 -59.2208 -39.7809 102.843 -22.7732 -59.222 -22.7738 28.8153 GPRESSURE: 3339000 -75.1713 3.71591 -90.9385 -13.3731 117.392 -74.8026 -74.5526 59.2783 55.2619 PRESSAVG: 3339000 -20.9539 2.56531 -0.597613 2.56528 -14.384 16.4957 -0.597547 16.4957 40.1441 GPRESSAVG: 3339000 -19.3417 3.39448 0.479037 2.08443 -14.3816 16.5345 -2.08416 18.0077 39.0885 TIMING: 3339000 CPU: 9692.82, 0.00290456/step Wall: 9692.82, 0.00290456/step, 1.34013 hours remaining, 206.765625 MB of memory in use. ENERGY: 3339000 739.0394 2096.4911 1949.8957 119.9317 -206215.0289 17732.7003 0.0000 0.0000 34182.7975 -149394.1732 298.5269 -183576.9707 -149293.7910 298.9581 -1.3302 32.4942 555245.4281 1.6021 1.7884 PRESSURE: 3339200 -270.467 21.2863 -123.908 21.2866 -82.855 -106.693 -123.907 -106.693 -62.9768 GPRESSURE: 3339200 -264.154 -14.9356 -6.56183 38.7792 -57.422 -99.9752 -146.426 -191.06 -14.5739 PRESSAVG: 3339200 63.0576 36.6453 -49.1693 36.6454 10.1654 26.5356 -49.1693 26.5355 -107.098 GPRESSAVG: 3339200 62.1751 36.5826 -49.3051 35.9169 10.9441 24.4755 -49.715 25.336 -106.838 TIMING: 3339200 CPU: 9693.4, 0.00289008/step Wall: 9693.4, 0.00289008/step, 1.33329 hours remaining, 206.765625 MB of memory in use. ENERGY: 3339200 721.3391 2144.8921 1936.4182 119.3304 -205678.6516 17391.6683 0.0000 0.0000 34089.6039 -149275.3995 297.7130 -183365.0035 -149179.9232 298.4468 -138.7664 -112.0499 556990.6212 -11.2917 -11.2397 PRESSURE: 3339400 -100.575 31.1347 -171.757 31.1344 -231.454 -33.1335 -171.757 -33.1346 -60.9911 GPRESSURE: 3339400 -52.104 44.622 -203.155 30.2979 -200.524 19.1906 -111.331 -44.3617 -40.5699 PRESSAVG: 3339400 -1.69262 25.6092 -0.93357 25.6092 -0.581609 17.2475 -0.933597 17.2475 26.1982 GPRESSAVG: 3339400 -1.97262 24.6459 -2.33957 28.6876 -0.779876 18.7475 1.02897 18.3681 26.1136 TIMING: 3339400 CPU: 9693.98, 0.00289405/step Wall: 9693.98, 0.00289405/step, 1.33496 hours remaining, 206.765625 MB of memory in use. ENERGY: 3339400 758.8168 2140.5310 1979.4681 108.7661 -205708.9739 17561.0205 0.0000 0.0000 34038.8893 -149121.4819 297.2701 -183160.3712 -149028.8666 298.5634 -131.0065 -97.7325 558885.7232 7.9747 7.7871 PRESSURE: 3339600 -159.535 74.9748 -27.9897 74.9753 0.468149 37.1243 -27.991 37.1256 89.5833 GPRESSURE: 3339600 -146.425 47.8664 -106.962 46.753 18.0219 61.2599 -65.4649 42.4042 155.811 PRESSAVG: 3339600 27.6486 36.8941 19.2108 36.8941 -86.0924 -4.78195 19.2108 -4.78199 10.5184 GPRESSAVG: 3339600 27.5132 37.2689 20.2496 34.4714 -86.2418 -5.11198 17.7869 -3.96054 10.7107 TIMING: 3339600 CPU: 9694.56, 0.00288261/step Wall: 9694.56, 0.00288261/step, 1.32952 hours remaining, 206.765625 MB of memory in use. ENERGY: 3339600 732.4860 2097.0193 1968.7540 110.1494 -206381.8915 17787.0196 0.0000 0.0000 34633.4843 -149052.9789 302.4628 -183686.4633 -148958.5323 299.5464 -23.1611 9.1358 556961.0394 -15.9751 -16.0060 PRESSURE: 3339800 -135.493 43.4512 22.7233 43.4521 -359.292 12.8195 22.7225 12.8203 137.259 GPRESSURE: 3339800 -48.2738 99.9167 79.8511 -1.3867 -340.414 -12.8499 8.30625 -32.7171 128.512 PRESSAVG: 3339800 10.9009 2.73354 22.7435 2.73354 -24.5371 -40.7119 22.7434 -40.7118 48.6852 GPRESSAVG: 3339800 11.845 1.00641 23.7493 3.61463 -25.0783 -39.9909 23.6688 -41.7914 48.7987 TIMING: 3339800 CPU: 9695.14, 0.00289177/step Wall: 9695.14, 0.00289177/step, 1.33359 hours remaining, 206.765625 MB of memory in use. ENERGY: 3339800 735.1037 2033.9838 1976.2213 126.0274 -206128.6519 17482.4170 0.0000 0.0000 34400.7649 -149374.1338 300.4304 -183774.8987 -149270.1982 299.3740 -119.1752 -86.7253 556647.0672 11.6830 11.8552 PRESSURE: 3340000 41.7572 -62.198 -17.1375 -62.1987 -356.271 -156.525 -17.1371 -156.525 -108.515 GPRESSURE: 3340000 86.4949 -112.789 -13.7339 -75.5364 -243.407 -115.348 -88.5035 -169.907 -176.543 PRESSAVG: 3340000 -19.2295 55.7038 1.77371 55.7038 -75.1654 -6.89467 1.77377 -6.89466 29.4584 GPRESSAVG: 3340000 -19.572 56.3937 1.81697 55.9979 -73.6999 -7.10831 0.856376 -8.62876 27.976 TIMING: 3340000 CPU: 9695.71, 0.00288092/step Wall: 9695.71, 0.00288092/step, 1.32843 hours remaining, 206.765625 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: 3340000 710.5610 2042.7266 1988.4936 113.6503 -205912.6347 17633.8356 0.0000 0.0000 34111.6126 -149311.7550 297.9052 -183423.3676 -149215.0864 299.3081 -141.0097 -111.1517 559861.0308 -21.6455 -21.7653 PRESSURE: 3340200 36.8575 38.8794 -116.892 38.8803 -118.971 -53.4892 -116.892 -53.488 -142.335 GPRESSURE: 3340200 78.5851 -61.996 -89.255 73.0773 -118.861 46.5895 -188.787 -87.0377 -93.8485 PRESSAVG: 3340200 -32.336 -3.21384 -12.983 -3.21382 -53.0092 -25.577 -12.983 -25.5771 50.658 GPRESSAVG: 3340200 -31.4667 -4.6462 -17.4914 -2.40827 -53.7673 -24.3656 -10.6647 -25.4337 50.3543 TIMING: 3340200 CPU: 9696.29, 0.002882/step Wall: 9696.29, 0.002882/step, 1.32876 hours remaining, 206.765625 MB of memory in use. ENERGY: 3340200 749.0847 2047.0423 1928.7904 106.1216 -206309.7302 17979.4603 0.0000 0.0000 34074.1360 -149425.0949 297.5779 -183499.2309 -149329.4530 298.5176 -74.8161 -44.7081 559880.5391 -11.5624 -11.6266 LDB: ============= START OF LOAD BALANCING ============== 9699.75 LDB: ============== END OF LOAD BALANCING =============== 9699.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9699.75 LDB: ============= START OF LOAD BALANCING ============== 9700.04 LDB: Largest compute 4820 load 0.029532 is 25.1% of average load 0.117791 LDB: Average compute 0.001712 is 1.5% of average load 0.117791 LDB: TIME 9700.05 LOAD: AVG 0.117791 MAX 0.180105 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.941 MB LDB: TIME 9700.05 LOAD: AVG 0.117791 MAX 0.180105 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: TIME 9700.05 LOAD: AVG 0.117791 MAX 0.180105 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: ============== END OF LOAD BALANCING =============== 9700.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9700.05 PRESSURE: 3340400 284.541 42.3261 -133.999 42.325 -21.8364 121.105 -134 121.107 148.462 GPRESSURE: 3340400 270.866 102.735 -88.4741 -10.7784 64.42 47.8346 -54.3921 175.472 161.47 PRESSAVG: 3340400 23.6355 -35.7713 3.07879 -35.7713 -62.8899 -0.477318 3.07869 -0.477432 47.6957 GPRESSAVG: 3340400 22.2522 -32.4352 5.76254 -37.7319 -62.1828 -0.905322 1.39371 1.12722 47.7723 TIMING: 3340400 CPU: 9696.88, 0.00294561/step Wall: 9696.88, 0.00294561/step, 1.35793 hours remaining, 205.457031 MB of memory in use. ENERGY: 3340400 702.3323 2122.8861 1952.6777 118.7972 -206275.6591 17896.2053 0.0000 0.0000 33953.5659 -149529.1946 296.5249 -183482.7606 -149438.3604 297.7126 137.0554 165.5852 557687.2917 2.8137 2.6139 PRESSURE: 3340600 74.9331 -29.5382 83.9921 -29.5389 -72.3438 36.2115 83.9906 36.2106 -193.14 GPRESSURE: 3340600 111.502 -56.5579 67.9688 75.3791 -23.5534 66.5857 168.825 -10.8291 -185.243 PRESSAVG: 3340600 -13.0862 -6.51364 -1.69351 -6.5137 -23.1483 20.1162 -1.69349 20.1162 -19.0994 GPRESSAVG: 3340600 -12.325 -7.21393 1.02654 -5.1956 -24.3788 18.8408 -5.05674 20.1198 -17.9113 TIMING: 3340600 CPU: 9697.46, 0.00289121/step Wall: 9697.46, 0.00289121/step, 1.33269 hours remaining, 206.175781 MB of memory in use. ENERGY: 3340600 736.3340 2098.3283 1960.6739 123.2663 -206699.7330 17785.7987 0.0000 0.0000 34473.1940 -149522.1378 301.0630 -183995.3318 -149427.2697 299.3508 -63.5169 -32.4315 556441.7928 -18.4446 -18.2051 PRESSURE: 3340800 94.1111 -118.21 29.4218 -118.211 -168.622 31.206 29.4212 31.2063 -13.2646 GPRESSURE: 3340800 164.618 -86.5243 90.6845 -90.5487 -148.766 50.2448 -4.09083 43.6238 -2.77672 PRESSAVG: 3340800 4.87391 -47.5703 -7.12444 -47.5703 32.5308 -26.9973 -7.12447 -26.9973 2.83394 GPRESSAVG: 3340800 4.38803 -49.2903 -9.75583 -47.3397 31.7445 -26.2818 -3.3857 -25.9143 4.07268 TIMING: 3340800 CPU: 9698.04, 0.00289535/step Wall: 9698.04, 0.00289535/step, 1.33443 hours remaining, 206.250000 MB of memory in use. ENERGY: 3340800 715.0231 2096.7530 1925.4740 106.5990 -206515.6585 17659.2236 0.0000 0.0000 34327.0966 -149685.4891 299.7871 -184012.5857 -149581.5093 298.2392 -29.2587 4.3584 556808.3323 13.4129 13.4017 PRESSURE: 3341000 234.397 -33.5465 -141.914 -33.5476 -71.6397 -55.7427 -141.911 -55.7422 57.7423 GPRESSURE: 3341000 314.253 -67.3397 -89.5345 -49.8187 -67.9673 -44.9417 -133.256 -31.2487 88.5479 PRESSAVG: 3341000 -16.9747 54.3784 -9.04263 54.3784 -4.68257 -22.4372 -9.04261 -22.4372 22.453 GPRESSAVG: 3341000 -17.4344 53.8228 -8.57974 53.7362 -3.47922 -21.5959 -8.50145 -22.7716 21.7787 TIMING: 3341000 CPU: 9698.61, 0.00289217/step Wall: 9698.61, 0.00289217/step, 1.33281 hours remaining, 206.250000 MB of memory in use. ENERGY: 3341000 740.3389 2057.7609 1954.6043 113.0124 -206634.5475 18097.3841 0.0000 0.0000 33977.2288 -149694.2181 296.7316 -183671.4469 -149600.7474 298.1938 73.5000 111.6111 556627.3882 0.2652 0.2884 PRESSURE: 3341200 -128.079 32.8028 -62.1771 32.8026 -376.546 31.3846 -62.1767 31.386 106.317 GPRESSURE: 3341200 -92.6729 33.6357 -36.2428 37.6547 -308.7 10.2106 -63.7966 80.6297 100.545 PRESSAVG: 3341200 38.1191 -10.6783 -39.1335 -10.6783 -85.5938 5.95603 -39.1335 5.95625 58.1558 GPRESSAVG: 3341200 38.123 -10.9627 -39.9332 -10.703 -86.5714 4.85891 -37.9608 5.62059 58.8054 TIMING: 3341200 CPU: 9699.2, 0.00291044/step Wall: 9699.2, 0.00291044/step, 1.34106 hours remaining, 206.250000 MB of memory in use. ENERGY: 3341200 719.2025 2088.6199 1952.9478 112.1232 -206751.9170 17826.6732 0.0000 0.0000 34415.7875 -149636.5630 300.5616 -184052.3505 -149542.5684 297.8947 -132.7692 -100.2757 557267.4700 3.5603 3.4523 PRESSURE: 3341400 260.739 77.6987 80.6365 77.6989 151.408 -37.3474 80.6367 -37.3479 296.07 GPRESSURE: 3341400 296.399 -52.3923 -41.632 88.1076 201.704 -11.6616 126.082 -47.5287 305.921 PRESSAVG: 3341400 -5.23192 15.3712 -29.673 15.3711 0.0749568 6.73252 -29.673 6.73249 39.528 GPRESSAVG: 3341400 -3.49324 15.6137 -27.3243 15.4946 -0.853684 4.88342 -31.3086 6.8407 38.1582 TIMING: 3341400 CPU: 9699.78, 0.00290447/step Wall: 9699.78, 0.00290447/step, 1.33815 hours remaining, 206.250000 MB of memory in use. ENERGY: 3341400 736.6580 2029.5463 1961.0811 111.1354 -206925.7507 18206.4222 0.0000 0.0000 34282.7528 -149598.1550 299.3998 -183880.9078 -149499.7689 298.7054 236.0726 268.0076 555930.0531 11.4570 11.2704 PRESSURE: 3341600 94.9827 -76.556 3.89342 -76.5563 397.949 51.4083 3.8945 51.4103 -69.9407 GPRESSURE: 3341600 153.188 -54.6271 -17.9054 38.6476 376.967 -14.4992 19.7654 145.503 -12.4113 PRESSAVG: 3341600 11.9792 -16.6977 -61.3096 -16.6978 68.3734 -6.29611 -61.3095 -6.29628 -41.6578 GPRESSAVG: 3341600 10.0021 -16.7421 -62.5811 -14.8388 69.2334 -4.2667 -61.1044 -6.2661 -41.0216 TIMING: 3341600 CPU: 9700.35, 0.00289012/step Wall: 9700.35, 0.00289012/step, 1.33138 hours remaining, 206.250000 MB of memory in use. ENERGY: 3341600 790.2117 2094.0958 1964.8873 110.1374 -206825.3551 18367.8920 0.0000 0.0000 34094.8297 -149403.3011 297.7586 -183498.1308 -149314.4181 298.2171 140.9969 172.5812 557956.6850 12.8983 12.7380 PRESSURE: 3341800 82.0261 104.669 33.866 104.668 263.208 -20.3568 33.8663 -20.3555 178.861 GPRESSURE: 3341800 181.07 84.5677 10.13 86.7891 267.356 -28.46 19.0481 -11.0168 181.086 PRESSAVG: 3341800 -63.9643 41.4745 -6.17423 41.4745 49.8358 13.8109 -6.17421 13.8109 10.4833 GPRESSAVG: 3341800 -64.6221 41.5785 -5.0331 40.3127 49.6327 14.7978 -8.02225 12.8717 10.8018 TIMING: 3341800 CPU: 9700.93, 0.00288334/step Wall: 9700.93, 0.00288334/step, 1.3281 hours remaining, 206.250000 MB of memory in use. ENERGY: 3341800 746.0851 2093.2447 1932.7271 134.6870 -206809.0009 18230.8187 0.0000 0.0000 34380.1753 -149291.2630 300.2506 -183671.4383 -149197.9622 298.4454 174.6985 209.8374 557816.9906 -1.2150 -1.3959 PRESSURE: 3342000 -47.5796 -35.7816 -20.6587 -35.7835 -131.072 82.7033 -20.6595 82.7049 -141.547 GPRESSURE: 3342000 -45.1107 43.7411 -19.3629 -45.3137 -107.218 121.308 -42.1921 99.2185 -58.0291 PRESSAVG: 3342000 1.41696 0.570692 25.2433 0.570696 -18.9941 -4.87543 25.2433 -4.87555 -26.8557 GPRESSAVG: 3342000 2.16227 1.50398 25.2458 1.5753 -19.1971 -5.23926 25.7071 -3.0315 -27.4803 TIMING: 3342000 CPU: 9701.51, 0.00289304/step Wall: 9701.51, 0.00289304/step, 1.33241 hours remaining, 206.250000 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: 3342000 764.0617 2056.1043 1977.4825 121.9166 -206165.7737 17717.1039 0.0000 0.0000 34205.5516 -149323.5532 298.7256 -183529.1048 -149231.4955 298.8971 -106.7329 -70.1194 558647.7337 -14.8110 -14.8384 PRESSURE: 3342200 118.632 -76.0983 -43.3197 -76.099 -83.1454 107.719 -43.3205 107.72 -172.555 GPRESSURE: 3342200 98.5746 -13.1521 -52.653 -85.5369 -40.8998 142.267 -85.8052 46.4171 -99.2052 PRESSAVG: 3342200 -32.8958 24.5957 20.8514 24.5957 -21.3172 35.9277 20.8514 35.9277 33.8006 GPRESSAVG: 3342200 -33.5261 25.9858 22.0863 22.3334 -20.9293 36.4618 20.419 33.4292 34.0302 TIMING: 3342200 CPU: 9702.08, 0.00286871/step Wall: 9702.08, 0.00286871/step, 1.32104 hours remaining, 206.250000 MB of memory in use. ENERGY: 3342200 751.3250 2085.4812 1962.2392 124.2985 -206083.2997 17800.3618 0.0000 0.0000 34070.8698 -149288.7242 297.5494 -183359.5940 -149192.3398 298.7784 -45.6893 -13.8435 558471.0153 -6.8041 -6.8084 PRESSURE: 3342400 393.825 -69.4892 17.8632 -69.4894 261.688 168.406 17.8621 168.406 -88.2745 GPRESSURE: 3342400 450.666 -77.8514 49.8142 -139.248 287.782 123.263 7.02526 122.025 -76.1625 PRESSAVG: 3342400 35.0455 48.027 -19.3328 48.0271 14.5463 22.7136 -19.3328 22.7136 -50.2428 GPRESSAVG: 3342400 35.2881 46.771 -20.7219 48.331 15.3074 21.7023 -18.916 24.2812 -51.0003 TIMING: 3342400 CPU: 9702.66, 0.00285964/step Wall: 9702.66, 0.00285964/step, 1.31671 hours remaining, 206.250000 MB of memory in use. ENERGY: 3342400 684.1448 2108.1662 1933.9191 100.4497 -206336.4556 17893.5518 0.0000 0.0000 34349.0420 -149267.1819 299.9787 -183616.2239 -149167.9586 298.8389 189.0796 220.7616 556530.6553 -0.2170 -0.1349 PRESSURE: 3342600 -13.2842 -101.501 -58.4377 -101.502 -126.535 -64.3744 -58.4372 -64.3747 -286.621 GPRESSURE: 3342600 10.8133 -116.322 -56.1134 -110.138 -156.862 -22.5274 -12.0652 -77.8097 -185.653 PRESSAVG: 3342600 88.0483 37.5647 -24.3841 37.5647 -58.5185 34.8227 -24.384 34.8228 -31.0886 GPRESSAVG: 3342600 89.4307 36.5473 -24.7684 38.8731 -58.8258 34.2197 -22.3548 33.5385 -32.3243 TIMING: 3342600 CPU: 9703.23, 0.00289349/step Wall: 9703.23, 0.00289349/step, 1.33213 hours remaining, 206.250000 MB of memory in use. ENERGY: 3342600 706.9159 2088.8846 1953.0708 125.2223 -205961.1550 17583.3664 0.0000 0.0000 34055.6195 -149448.0756 297.4162 -183503.6950 -149346.3265 299.0406 -142.1469 -110.5672 558125.6469 -0.5196 -0.5732 PRESSURE: 3342800 13.387 -23.5112 -49.4049 -23.5129 -499.63 23.7251 -49.4039 23.7246 -320.488 GPRESSURE: 3342800 52.5642 -34.8182 -44.9097 -16.4653 -466.074 73.4645 -15.7381 81.182 -292.173 PRESSAVG: 3342800 60.7069 -22.9599 -69.8146 -22.9599 -32.8374 -24.6594 -69.8145 -24.6596 -8.10711 GPRESSAVG: 3342800 59.2725 -20.8339 -69.188 -23.2151 -33.1544 -22.3052 -71.5856 -24.6921 -7.04817 TIMING: 3342800 CPU: 9703.81, 0.00287406/step Wall: 9703.81, 0.00287406/step, 1.32303 hours remaining, 206.250000 MB of memory in use. ENERGY: 3342800 733.7165 2066.1265 1960.9642 110.4062 -205881.8739 17626.7478 0.0000 0.0000 34131.9603 -149251.9522 298.0829 -183383.9126 -149153.5322 298.4624 -268.9102 -235.2277 560419.9710 6.5875 6.3566 PRESSURE: 3343000 38.2385 169.482 -3.19183 169.484 186.077 9.1595 -3.19131 9.15874 258.578 GPRESSURE: 3343000 95.6961 121.771 -44.7608 169.408 217.939 -107.97 23.3892 78.7087 256.258 PRESSAVG: 3343000 -4.6821 4.9345 -0.853759 4.93457 24.8123 -33.6521 -0.853806 -33.6521 12.6885 GPRESSAVG: 3343000 -5.28627 4.76533 -1.59162 3.14026 25.4731 -37.4482 -0.955712 -31.7946 13.4013 TIMING: 3343000 CPU: 9704.39, 0.00288248/step Wall: 9704.39, 0.00288248/step, 1.32674 hours remaining, 206.250000 MB of memory in use. ENERGY: 3343000 760.1913 2072.1062 1929.7616 98.9198 -206730.6246 18042.9790 0.0000 0.0000 34470.7916 -149355.8750 301.0420 -183826.6666 -149264.8274 298.6364 160.9644 189.9643 556611.9108 10.9396 11.1961 PRESSURE: 3343200 -151.298 -243.354 9.8832 -243.355 23.1065 8.23909 9.88359 8.23901 -148.02 GPRESSURE: 3343200 -132.193 -182.09 21.7488 -185.636 -13.666 -12.4276 5.69692 45.7232 -26.8937 PRESSAVG: 3343200 -28.2523 -36.5822 -43.9111 -36.5822 36.8233 34.537 -43.9112 34.5369 -21.9215 GPRESSAVG: 3343200 -27.8953 -34.5005 -43.9248 -36.2742 37.1012 37.6338 -43.0381 32.265 -22.9249 TIMING: 3343200 CPU: 9704.96, 0.00287774/step Wall: 9704.96, 0.00287774/step, 1.3244 hours remaining, 206.250000 MB of memory in use. ENERGY: 3343200 756.0256 2075.1882 1940.8118 111.8935 -206108.3091 17850.3984 0.0000 0.0000 34212.4320 -149161.5596 298.7857 -183373.9916 -149065.3417 299.4085 -92.0702 -57.5842 558279.2978 -4.4502 -4.5730 PRESSURE: 3343400 34.0156 111.746 -17.3149 111.745 232.298 -51.3633 -17.3148 -51.3635 39.666 GPRESSURE: 3343400 92.4374 56.1089 17.0323 151.417 291.289 -117.784 4.09679 -14.6427 15.1855 PRESSAVG: 3343400 -78.2466 -40.8478 30.3527 -40.8478 81.5052 -36.3578 30.3527 -36.3578 12.1474 GPRESSAVG: 3343400 -77.8611 -42.8167 30.8564 -39.2637 81.4761 -38.0848 29.7667 -34.8615 12.3966 TIMING: 3343400 CPU: 9705.54, 0.00287538/step Wall: 9705.54, 0.00287538/step, 1.32315 hours remaining, 206.250000 MB of memory in use. ENERGY: 3343400 729.2656 2080.6197 1952.3867 115.6826 -206126.8965 17916.3344 0.0000 0.0000 34021.1693 -149311.4383 297.1153 -183332.6075 -149217.5783 298.6878 101.9933 132.9706 558167.9310 5.1354 5.3372 PRESSURE: 3343600 170.311 -60.5004 -61.9428 -60.5002 51.0164 136.446 -61.9414 136.448 247.854 GPRESSURE: 3343600 129.294 -43.2121 61.5695 -35.9564 102.225 145.494 -31.8122 51.4262 327.189 PRESSAVG: 3343600 -66.3853 -11.8723 29.8344 -11.8723 -19.711 -48.3752 29.8344 -48.3752 59.3135 GPRESSAVG: 3343600 -66.0694 -10.9032 30.2789 -12.3601 -19.8186 -45.2054 30.2958 -50.2158 59.4979 TIMING: 3343600 CPU: 9706.11, 0.00285819/step Wall: 9706.11, 0.00285819/step, 1.31509 hours remaining, 206.250000 MB of memory in use. ENERGY: 3343600 749.0726 2085.8989 1970.7837 111.8249 -206422.6203 17940.1491 0.0000 0.0000 34112.7489 -149452.1423 297.9151 -183564.8911 -149353.9980 298.3233 156.3939 186.2362 556272.9754 -8.9276 -8.7967 PRESSURE: 3343800 -67.1694 -0.516372 -40.1549 -0.514625 118.144 64.0883 -40.1547 64.0874 -106.137 GPRESSURE: 3343800 -66.5772 21.1601 -80.9681 -61.783 144.23 97.1237 -20.267 -6.49317 -34.0403 PRESSAVG: 3343800 -16.7319 -6.05323 -25.661 -6.0532 35.8092 3.27521 -25.661 3.27529 30.6164 GPRESSAVG: 3343800 -17.3224 -6.31552 -25.5996 -7.96009 35.4827 1.55556 -25.7539 3.92194 31.2835 TIMING: 3343800 CPU: 9706.69, 0.00289084/step Wall: 9706.69, 0.00289084/step, 1.32995 hours remaining, 206.250000 MB of memory in use. ENERGY: 3343800 737.4927 2015.9262 1959.7107 111.3136 -206521.9835 18066.9838 0.0000 0.0000 34283.0415 -149347.5151 299.4023 -183630.5566 -149258.4546 298.3202 -18.3875 14.5374 557027.8244 16.5645 16.4813 PRESSURE: 3344000 -7.25614 148.42 -54.6548 148.421 57.593 -67.2083 -54.6558 -67.2081 66.3094 GPRESSURE: 3344000 38.7148 125.022 60.4006 171.239 117.886 -208.005 -90.9104 -52.6391 56.7081 PRESSAVG: 3344000 -19.6468 -12.1432 -29.1347 -12.1432 27.4667 30.1996 -29.1348 30.1996 25.165 GPRESSAVG: 3344000 -19.322 -13.8876 -27.8879 -8.85164 28.2767 29.466 -29.1442 30.5724 24.0225 TIMING: 3344000 CPU: 9707.27, 0.00291336/step Wall: 9707.27, 0.00291336/step, 1.34015 hours remaining, 206.250000 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: 3344000 744.9786 2119.5160 1942.3461 114.0059 -206332.3093 17985.9243 0.0000 0.0000 34202.3916 -149223.1468 298.6980 -183425.5384 -149132.1038 298.4780 38.8821 71.1029 558676.6805 10.9950 10.9924 PRESSURE: 3344200 -92.3159 -9.69598 104.869 -9.69622 -11.017 134.691 104.868 134.693 139.664 GPRESSURE: 3344200 -102.935 -42.5395 73.7442 7.60494 70.0516 172.925 73.6015 100.191 179.676 PRESSAVG: 3344200 -30.9117 -20.5925 4.26227 -20.5926 21.0545 -10.2133 4.26215 -10.2134 -6.31802 GPRESSAVG: 3344200 -31.4456 -20.0645 0.889075 -23.7993 19.669 -7.49443 3.83429 -11.7664 -4.63722 TIMING: 3344200 CPU: 9707.85, 0.00290762/step Wall: 9707.85, 0.00290762/step, 1.33734 hours remaining, 206.316406 MB of memory in use. ENERGY: 3344200 706.3896 2123.5494 1944.2421 109.4602 -206027.2827 17787.7672 0.0000 0.0000 34307.2737 -149048.6005 299.6140 -183355.8742 -148948.6782 299.1316 12.1103 48.9306 557338.8542 -5.3917 -5.4713 LDB: ============= START OF LOAD BALANCING ============== 9711.32 LDB: ============== END OF LOAD BALANCING =============== 9711.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9711.32 LDB: ============= START OF LOAD BALANCING ============== 9711.61 LDB: Largest compute 4820 load 0.029340 is 24.9% of average load 0.117792 LDB: Average compute 0.001716 is 1.5% of average load 0.117792 LDB: TIME 9711.62 LOAD: AVG 0.117792 MAX 0.179209 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.266 MB LDB: TIME 9711.62 LOAD: AVG 0.117792 MAX 0.179209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: TIME 9711.62 LOAD: AVG 0.117792 MAX 0.179209 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.469 MB LDB: ============== END OF LOAD BALANCING =============== 9711.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9711.62 PRESSURE: 3344400 -212.455 4.73272 199.314 4.73297 -54.3669 56.2124 199.313 56.2131 -74.426 GPRESSURE: 3344400 -175.772 -7.80601 136.691 54.5556 -45.043 46.1541 203.202 117.258 -31.3279 PRESSAVG: 3344400 -36.1111 -14.207 17.9143 -14.207 -45.5414 18.9524 17.9143 18.9526 65.7043 GPRESSAVG: 3344400 -35.4392 -14.0913 20.4123 -13.7227 -45.038 17.2655 15.1804 18.2566 64.4652 TIMING: 3344400 CPU: 9708.45, 0.00297961/step Wall: 9708.45, 0.00297961/step, 1.37029 hours remaining, 205.933594 MB of memory in use. ENERGY: 3344400 738.7061 2047.1451 1966.6441 103.1096 -206393.4323 17750.8916 0.0000 0.0000 34364.2511 -149422.6847 300.1116 -183786.9358 -149327.2115 299.2610 -113.7493 -84.0475 557095.9791 -5.3161 -5.3373 PRESSURE: 3344600 59.8634 15.5151 -115.24 15.5153 65.1853 39.5073 -115.239 39.5083 259.004 GPRESSURE: 3344600 91.9185 76.3369 -68.8036 -56.5051 106.094 67.9711 -147.192 -78.3615 286.085 PRESSAVG: 3344600 35.9518 7.08972 8.09674 7.08977 -56.1163 11.7946 8.0967 11.7946 -12.1447 GPRESSAVG: 3344600 35.0449 8.31018 8.48865 5.94851 -55.7181 11.3363 9.124 12.9542 -11.593 TIMING: 3344600 CPU: 9709.02, 0.00289115/step Wall: 9709.02, 0.00289115/step, 1.32945 hours remaining, 206.136719 MB of memory in use. ENERGY: 3344600 735.8183 2138.1617 1958.7370 104.7285 -206431.0516 18060.0008 0.0000 0.0000 33939.9596 -149493.6457 296.4061 -183433.6053 -149400.4194 298.2864 128.0176 161.3657 556514.9447 -10.7697 -10.7554 PRESSURE: 3344800 28.3032 -20.8992 -89.1481 -20.8997 91.8539 -30.5886 -89.1479 -30.5889 -73.4752 GPRESSURE: 3344800 58.9552 48.1196 -141.158 16.654 148.569 -51.996 3.53373 3.91417 -62.8202 PRESSAVG: 3344800 5.11097 -3.09665 -33.5029 -3.09659 -10.7476 8.38912 -33.5029 8.38928 26.8501 GPRESSAVG: 3344800 6.52921 -3.29058 -35.5293 -2.16335 -11.1437 7.16125 -31.0198 10.365 26.3255 TIMING: 3344800 CPU: 9709.6, 0.00289184/step Wall: 9709.6, 0.00289184/step, 1.3296 hours remaining, 206.136719 MB of memory in use. ENERGY: 3344800 745.6825 2111.4707 1926.1332 104.8905 -206419.3571 17851.5014 0.0000 0.0000 34224.9434 -149454.7354 298.8949 -183679.6789 -149359.6053 298.2791 15.5606 48.2348 556018.0444 7.0712 7.2370 PRESSURE: 3345000 574.458 95.5108 -56.083 95.5109 357.603 94.9625 -56.0817 94.9636 291.648 GPRESSURE: 3345000 579.693 94.5124 -118.987 161.295 378.901 95.7698 25.5346 73.9917 365.239 PRESSAVG: 3345000 28.3165 -22.4879 -46.9579 -22.4879 33.0404 -11.4941 -46.9579 -11.494 -96.2673 GPRESSAVG: 3345000 27.1148 -23.1212 -44.2809 -19.1897 32.6778 -8.69468 -49.8923 -13.8683 -94.9302 TIMING: 3345000 CPU: 9710.18, 0.00289071/step Wall: 9710.18, 0.00289071/step, 1.32892 hours remaining, 206.136719 MB of memory in use. ENERGY: 3345000 697.0435 2035.9742 1932.3752 102.2404 -206682.5473 18283.8224 0.0000 0.0000 34114.7517 -149516.3399 297.9326 -183631.0916 -149420.8851 297.8538 407.9029 441.2776 555738.9928 -11.6368 -11.7125 PRESSURE: 3345200 -89.4978 -53.576 34.2147 -53.5761 14.5669 -23.7703 34.2146 -23.7691 -29.358 GPRESSURE: 3345200 -117.436 -39.256 -60.3352 -51.5331 73.2593 -22.0751 128.298 -102.647 41.4388 PRESSAVG: 3345200 18.9379 38.6872 5.02931 38.6871 65.133 -24.6024 5.02924 -24.6023 -29.1821 GPRESSAVG: 3345200 19.2752 40.0511 3.37514 35.0319 65.2413 -26.8377 6.65705 -23.8623 -29.5157 TIMING: 3345200 CPU: 9710.76, 0.00289009/step Wall: 9710.76, 0.00289009/step, 1.32848 hours remaining, 206.136719 MB of memory in use. ENERGY: 3345200 778.5415 2082.4843 1949.3788 117.8428 -206444.7675 17718.5574 0.0000 0.0000 34184.1359 -149613.8268 298.5386 -183797.9627 -149510.9040 298.2846 -34.7630 -0.9125 556213.8664 18.2963 18.3336 PRESSURE: 3345400 -207.814 -37.3595 178.497 -37.3605 -294.595 -33.0464 178.497 -33.0472 38.9841 GPRESSURE: 3345400 -140.444 30.842 207.638 -3.38014 -292.026 -0.856711 159.887 -80.2616 63.0604 PRESSAVG: 3345400 2.75963 -48.6208 45.8344 -48.6209 28.2068 -49.6184 45.8345 -49.6183 8.19789 GPRESSAVG: 3345400 3.36877 -49.3207 44.0783 -47.8299 28.4732 -47.0213 46.7037 -50.0302 7.22105 TIMING: 3345400 CPU: 9711.34, 0.00291761/step Wall: 9711.34, 0.00291761/step, 1.34097 hours remaining, 206.136719 MB of memory in use. ENERGY: 3345400 723.2006 2080.8274 1950.8126 110.4732 -206263.1262 17687.4474 0.0000 0.0000 34137.2761 -149573.0890 298.1293 -183710.3651 -149484.1845 298.3914 -154.4752 -123.1366 557634.7911 13.0548 13.0210 PRESSURE: 3345600 -60.0063 1.1524 63.1713 1.15084 -127.64 -40.144 63.1708 -40.1444 -121.693 GPRESSURE: 3345600 -31.3103 57.4462 25.0721 41.9771 -89.4564 -37.1876 22.7603 -50.1068 -102.329 PRESSAVG: 3345600 31.5365 -11.9589 37.784 -11.959 -15.9475 27.3399 37.7839 27.3399 -37.2254 GPRESSAVG: 3345600 31.0577 -11.8492 39.3339 -12.3032 -15.1385 24.8374 36.6767 27.4941 -37.6735 TIMING: 3345600 CPU: 9711.93, 0.00291243/step Wall: 9711.93, 0.00291243/step, 1.33843 hours remaining, 206.136719 MB of memory in use. ENERGY: 3345600 745.0365 2119.7132 1969.0781 118.5178 -206181.2012 17588.5900 0.0000 0.0000 34166.0901 -149474.1756 298.3810 -183640.2656 -149378.5531 298.1857 -103.1131 -74.3653 558430.4681 -7.2122 -7.2514 PRESSURE: 3345800 -168.015 -113.56 -123.697 -113.56 -97.7257 45.2556 -123.696 45.2561 -245.047 GPRESSURE: 3345800 -167.869 -21.4802 -83.721 -139.305 -45.3472 29.5785 -114.513 33.8144 -192.564 PRESSAVG: 3345800 23.6326 -9.99947 -57.869 -9.99954 12.7343 36.5814 -57.8691 36.5815 -66.5044 GPRESSAVG: 3345800 24.7323 -8.8639 -57.4019 -10.998 11.2326 36.0695 -57.5505 38.6792 -65.682 TIMING: 3345800 CPU: 9712.51, 0.00291138/step Wall: 9712.51, 0.00291138/step, 1.33778 hours remaining, 206.136719 MB of memory in use. ENERGY: 3345800 758.9098 2144.3360 1974.8278 114.3847 -206199.8719 17541.5735 0.0000 0.0000 34264.6100 -149401.2300 299.2414 -183665.8401 -149308.6962 298.7251 -170.2629 -135.2601 558105.0639 -10.0458 -9.9057 PRESSURE: 3346000 -212.476 -0.354843 -77.0634 -0.356432 14.8346 -193.161 -77.0638 -193.16 -61.5543 GPRESSURE: 3346000 -164.128 48.5621 -27.503 -65.3234 23.8453 -129.785 -113.378 -198.158 -21.315 PRESSAVG: 3346000 -13.3507 -37.4111 26.2266 -37.4109 15.2669 18.237 26.2265 18.237 -10.7777 GPRESSAVG: 3346000 -12.8566 -40.7266 25.5482 -36.1393 14.5116 19.913 26.6401 16.4759 -10.5559 TIMING: 3346000 CPU: 9713.09, 0.00289681/step Wall: 9713.09, 0.00289681/step, 1.33092 hours remaining, 206.136719 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: 3346000 724.2352 2069.1060 1978.3534 124.2778 -206392.5639 17612.9613 0.0000 0.0000 34432.8848 -149450.7454 300.7109 -183883.6302 -149351.8060 298.8253 -86.3985 -53.8658 557124.5097 -2.9538 -2.9670 PRESSURE: 3346200 113.93 35.9259 9.49341 35.9263 121.956 -12.6197 9.49472 -12.6197 7.66503 GPRESSURE: 3346200 103.949 101.796 -37.017 -0.320337 173.523 -38.0787 15.4649 -42.5045 66.597 PRESSAVG: 3346200 -29.9389 7.30979 -2.39877 7.30979 34.7053 -10.1927 -2.39874 -10.1927 -10.3604 GPRESSAVG: 3346200 -30.4694 8.61637 -2.13497 7.40074 34.6138 -11.886 -2.6015 -8.80079 -10.0185 TIMING: 3346200 CPU: 9713.66, 0.00288741/step Wall: 9713.66, 0.00288741/step, 1.32645 hours remaining, 206.136719 MB of memory in use. ENERGY: 3346200 757.5305 2087.6331 1951.8076 118.8535 -206991.2583 18228.8084 0.0000 0.0000 34222.1505 -149624.4748 298.8706 -183846.6253 -149522.7065 298.6052 81.1836 114.6896 556858.5453 -1.8647 -1.9581 PRESSURE: 3346400 -130.156 -1.10816 -17.02 -1.1077 -44.1903 -6.4036 -17.0211 -6.40287 -179.172 GPRESSURE: 3346400 -156.934 -14.8122 10.7608 11.4747 5.24716 24.4163 -57.3855 -72.9668 -102.934 PRESSAVG: 3346400 51.3626 10.3066 4.80414 10.3065 -12.2164 -51.6136 4.80413 -51.6136 -80.9441 GPRESSAVG: 3346400 49.9167 11.8837 3.8042 8.87253 -10.7777 -50.7978 5.93855 -52.1514 -81.7684 TIMING: 3346400 CPU: 9714.24, 0.00289462/step Wall: 9714.24, 0.00289462/step, 1.32959 hours remaining, 206.136719 MB of memory in use. ENERGY: 3346400 740.5945 2047.8853 1984.5377 122.7675 -206398.9752 17673.1929 0.0000 0.0000 34035.8861 -149794.1113 297.2439 -183829.9974 -149693.8855 297.5673 -117.8395 -84.8736 556339.7418 -13.9326 -14.2098 PRESSURE: 3346600 -127.527 72.9289 97.6609 72.9292 54.7195 -130.59 97.6621 -130.59 -92.0955 GPRESSURE: 3346600 -102.989 -18.6197 109.737 99.3431 133.341 -231.714 145.491 -89.4284 -92.7351 PRESSAVG: 3346600 -5.95979 -0.496314 -1.30594 -0.496287 9.74639 -3.40047 -1.30592 -3.40027 -29.4378 GPRESSAVG: 3346600 -5.73584 -1.22262 0.745947 -1.58488 9.24933 -2.20794 -3.72729 -2.68438 -29.406 TIMING: 3346600 CPU: 9714.82, 0.0028976/step Wall: 9714.82, 0.0028976/step, 1.3308 hours remaining, 206.136719 MB of memory in use. ENERGY: 3346600 711.1898 2087.0128 1957.1165 107.8583 -206371.3650 17676.6937 0.0000 0.0000 34085.1720 -149746.3219 297.6743 -183831.4939 -149657.4502 297.3100 -54.9675 -20.7944 555959.2245 -8.5504 -8.6308 PRESSURE: 3346800 -110.773 -125.891 -29.7184 -125.89 -43.6991 -142.801 -29.7189 -142.801 222.189 GPRESSURE: 3346800 -92.3695 -59.388 -57.0786 -202.567 16.2592 -132.32 28.8729 -75.3277 241.338 PRESSAVG: 3346800 -5.06272 -14.1359 -19.7731 -14.1359 54.4161 -84.6529 -19.7731 -84.6529 10.2874 GPRESSAVG: 3346800 -3.80695 -12.4325 -21.5563 -13.8537 53.746 -85.7822 -19.2538 -84.6924 10.2495 TIMING: 3346800 CPU: 9715.4, 0.00289902/step Wall: 9715.4, 0.00289902/step, 1.33129 hours remaining, 206.136719 MB of memory in use. ENERGY: 3346800 731.2370 2146.7172 1974.2595 113.2890 -206749.8408 17822.3340 0.0000 0.0000 34113.8044 -149848.1996 297.9243 -183962.0040 -149752.6514 296.8266 22.5726 55.0758 555386.0879 19.8803 20.0629 PRESSURE: 3347000 -115.294 -30.664 24.3837 -30.6649 -40.5124 -58.8333 24.3823 -58.8332 -60.803 GPRESSURE: 3347000 -54.6044 -32.1727 62.0896 25.9575 -13.9734 -5.48895 -21.7103 -69.5397 -47.3134 PRESSAVG: 3347000 -71.4546 7.7544 -39.7709 7.75449 -35.4153 7.70631 -39.7709 7.70641 53.7854 GPRESSAVG: 3347000 -72.0584 5.8746 -39.8122 9.82506 -34.5527 6.65843 -40.0526 9.18877 54.0671 TIMING: 3347000 CPU: 9715.98, 0.00288413/step Wall: 9715.98, 0.00288413/step, 1.3243 hours remaining, 206.136719 MB of memory in use. ENERGY: 3347000 764.5671 2055.5257 1974.1910 104.2749 -206642.3769 17875.0563 0.0000 0.0000 34157.6627 -149711.0992 298.3074 -183868.7619 -149618.0267 296.8728 -72.2031 -38.6304 556692.4616 -17.6948 -17.5146 PRESSURE: 3347200 -58.7454 171.688 77.3713 171.688 -151.017 33.5735 77.3705 33.5716 -420.698 GPRESSURE: 3347200 -89.4038 141.54 8.69037 199.822 -74.207 25.8254 136.618 32.7388 -369.01 PRESSAVG: 3347200 57.9299 12.3455 -7.29442 12.3454 36.7359 16.6301 -7.29455 16.63 -18.4612 GPRESSAVG: 3347200 56.837 12.3277 -8.19477 11.2271 36.7218 18.1661 -7.11214 13.3121 -17.6404 TIMING: 3347200 CPU: 9716.56, 0.00289832/step Wall: 9716.56, 0.00289832/step, 1.33065 hours remaining, 206.136719 MB of memory in use. ENERGY: 3347200 754.8253 2143.0565 1991.8669 130.3426 -206487.7524 17654.3692 0.0000 0.0000 34165.4476 -149647.8442 298.3754 -183813.2919 -149553.2095 297.6402 -210.1532 -177.5404 557919.9194 25.4015 25.3061 PRESSURE: 3347400 -4.2386 71.5241 143.221 71.5237 -7.83747 -108.2 143.221 -108.201 -60.0254 GPRESSURE: 3347400 12.7796 64.1401 216.157 88.4728 3.85445 -60.5961 56.5293 -157.954 0.961852 PRESSAVG: 3347400 55.5182 -0.095288 -9.71374 -0.0952469 -37.4963 -31.4299 -9.71375 -31.4299 5.0177 GPRESSAVG: 3347400 55.0735 -0.15414 -8.94936 -1.88327 -37.6806 -31.8888 -10.2504 -30.0448 5.50033 TIMING: 3347400 CPU: 9717.14, 0.00291169/step Wall: 9717.14, 0.00291169/step, 1.33663 hours remaining, 206.136719 MB of memory in use. ENERGY: 3347400 768.5279 2174.5260 1964.0319 111.9980 -206434.5362 17830.2240 0.0000 0.0000 34190.4629 -149394.7655 298.5938 -183585.2284 -149304.2841 298.4595 -24.0338 5.8653 557133.6365 7.6799 7.6311 PRESSURE: 3347600 -256.463 -129.756 131.703 -129.756 -221.35 -152.457 131.703 -152.455 135.397 GPRESSURE: 3347600 -239.922 -83.0759 119.229 -152.072 -180.236 -167.714 54.115 -123.382 174.513 PRESSAVG: 3347600 -21.4251 31.508 -7.54987 31.5079 -16.6704 -76.8424 -7.54976 -76.8423 40.9556 GPRESSAVG: 3347600 -20.1233 32.152 -9.20977 33.7538 -16.5293 -77.8967 -8.11031 -74.6925 39.0657 TIMING: 3347600 CPU: 9717.72, 0.00291641/step Wall: 9717.72, 0.00291641/step, 1.33863 hours remaining, 206.136719 MB of memory in use. ENERGY: 3347600 720.2443 2108.5974 1962.6788 119.9265 -206025.5325 17605.9075 0.0000 0.0000 34241.0093 -149267.1688 299.0353 -183508.1780 -149170.0023 298.8153 -114.1391 -81.8817 557787.0327 0.9534 0.8044 PRESSURE: 3347800 -408.656 101.553 88.2579 101.553 -211.759 105.168 88.2583 105.168 -83.4628 GPRESSURE: 3347800 -343.491 33.809 12.8404 190.378 -165.535 98.6672 82.6084 98.6973 -109.145 PRESSAVG: 3347800 -68.7378 -23.5082 6.06213 -23.5082 66.2771 -44.1092 6.06213 -44.1091 25.7805 GPRESSAVG: 3347800 -70.6398 -24.2748 6.37117 -22.0851 67.3755 -43.4529 7.57325 -45.3644 26.5576 TIMING: 3347800 CPU: 9718.31, 0.00291799/step Wall: 9718.31, 0.00291799/step, 1.33919 hours remaining, 206.136719 MB of memory in use. ENERGY: 3347800 777.4454 2141.6306 1988.0079 99.8739 -206267.8124 17732.3206 0.0000 0.0000 34312.2676 -149216.2663 299.6576 -183528.5339 -149123.1252 299.1644 -234.6261 -206.0570 558421.9812 7.7733 7.7644 PRESSURE: 3348000 -109.83 97.6316 87.8994 97.6327 39.4252 148.141 87.8981 148.141 -142.375 GPRESSURE: 3348000 -118.585 74.6158 -16.8069 130.327 30.4293 141.492 83.5112 223.074 -42.1382 PRESSAVG: 3348000 -64.1226 56.4828 -57.0559 56.4828 58.1433 26.0357 -57.056 26.0357 35.4151 GPRESSAVG: 3348000 -63.6353 57.7384 -58.6105 55.048 56.7618 24.4905 -58.2514 26.4298 36.1079 TIMING: 3348000 CPU: 9718.88, 0.00288071/step Wall: 9718.88, 0.00288071/step, 1.32193 hours remaining, 206.136719 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: 3348000 791.3906 2122.7094 1979.1885 119.7268 -206294.3892 17842.8543 0.0000 0.0000 34079.3562 -149359.1633 297.6235 -183438.5195 -149268.5339 299.2090 -70.9268 -43.4314 556262.7996 9.8119 9.7448 PRESSURE: 3348200 -7.14082 94.9985 -48.613 94.9982 100.68 139.986 -48.6119 139.986 -234.977 GPRESSURE: 3348200 50.9253 6.73903 -21.4646 82.0249 75.4421 82.3926 -78.4844 102.632 -163.503 PRESSAVG: 3348200 0.610502 42.9112 40.8219 42.9112 -52.4025 47.8026 40.822 47.8026 65.9743 GPRESSAVG: 3348200 0.00312522 40.6282 43.2925 42.4493 -52.3849 49.6071 40.3519 48.0157 66.9348 TIMING: 3348200 CPU: 9719.46, 0.00289429/step Wall: 9719.46, 0.00289429/step, 1.328 hours remaining, 206.136719 MB of memory in use. ENERGY: 3348200 719.4474 2142.7413 1968.5405 107.3924 -206367.2389 17822.7293 0.0000 0.0000 34198.1449 -149408.2432 298.6609 -183606.3881 -149306.5986 298.8342 -47.1458 -12.3785 557430.3911 4.7274 4.8510 LDB: ============= START OF LOAD BALANCING ============== 9722.93 LDB: ============== END OF LOAD BALANCING =============== 9722.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9722.93 LDB: ============= START OF LOAD BALANCING ============== 9723.22 LDB: Largest compute 4820 load 0.029039 is 24.7% of average load 0.117777 LDB: Average compute 0.001719 is 1.5% of average load 0.117777 LDB: TIME 9723.22 LOAD: AVG 0.117777 MAX 0.180364 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 9723.22 LOAD: AVG 0.117777 MAX 0.180364 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 9723.22 LOAD: AVG 0.117777 MAX 0.180364 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 9723.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9723.23 PRESSURE: 3348400 250.546 -11.4078 -28.5818 -11.4056 102.037 52.0519 -28.5826 52.0505 198.66 GPRESSURE: 3348400 275.34 -33.8002 -16.0613 -8.90496 125.368 -32.2723 3.25059 130.344 254.119 PRESSAVG: 3348400 75.1613 33.2708 5.98074 33.2708 -32.1376 -4.70429 5.98079 -4.70445 -11.9064 GPRESSAVG: 3348400 75.6745 34.0458 5.90133 34.0511 -30.8963 -5.5398 7.13193 -3.32673 -13.6946 TIMING: 3348400 CPU: 9720.06, 0.00296188/step Wall: 9720.06, 0.00296188/step, 1.35884 hours remaining, 206.761719 MB of memory in use. ENERGY: 3348400 743.4540 2141.6380 1961.2004 117.1884 -207024.3238 18354.1881 0.0000 0.0000 34126.8987 -149579.7562 298.0387 -183706.6549 -149477.3659 298.5255 183.7476 218.2755 556901.5691 10.3724 10.3612 PRESSURE: 3348600 -199.313 -57.5991 46.8372 -57.5999 -323.399 -66.7733 46.8367 -66.7717 -67.0652 GPRESSURE: 3348600 -224.92 -11.5985 40.0306 -116.453 -286.943 52.5996 28.4122 -73.0408 20.3594 PRESSAVG: 3348600 40.7921 -3.36752 17.6606 -3.36753 -91.481 -1.92262 17.6607 -1.92257 31.2137 GPRESSAVG: 3348600 41.9332 -1.89994 17.7142 -5.31873 -92.5671 -0.881075 15.6989 -3.52665 31.1993 TIMING: 3348600 CPU: 9720.64, 0.00290026/step Wall: 9720.64, 0.00290026/step, 1.33041 hours remaining, 206.968750 MB of memory in use. ENERGY: 3348600 736.2529 2086.4856 1989.6649 113.8238 -206368.6764 17727.3387 0.0000 0.0000 34114.0585 -149601.0519 297.9266 -183715.1104 -149511.9030 297.6114 -196.5925 -163.8346 557735.2669 -6.4917 -6.4782 PRESSURE: 3348800 -209.548 72.9207 -165.359 72.9199 1.65437 -23.4001 -165.361 -23.4011 43.0067 GPRESSURE: 3348800 -161.034 108.707 -80.9101 18.5155 67.2304 42.1137 -145.377 -15.57 32.9362 PRESSAVG: 3348800 -34.1647 13.5425 29.6354 13.5424 4.81241 3.5146 29.6355 3.51464 28.4655 GPRESSAVG: 3348800 -33.4541 15.3864 31.5828 14.7838 2.91792 4.63687 30.6712 3.75955 28.994 TIMING: 3348800 CPU: 9721.21, 0.00286981/step Wall: 9721.21, 0.00286981/step, 1.31628 hours remaining, 206.968750 MB of memory in use. ENERGY: 3348800 752.8240 2110.9012 1973.3248 110.1619 -206182.3334 17669.7930 0.0000 0.0000 34058.2980 -149507.0305 297.4396 -183565.3285 -149407.0302 298.5839 -54.9623 -20.2891 557028.2217 -0.2956 -0.5141 PRESSURE: 3349000 -49.464 -164.616 70.6075 -164.616 -11.6879 -154.924 70.6069 -154.925 -195.838 GPRESSURE: 3349000 -62.2831 -101.684 -64.9228 -244.355 -26.0599 -233.193 243.806 -113.398 -79.2017 PRESSAVG: 3349000 -75.0589 8.17869 -48.3635 8.17872 20.3257 -8.08562 -48.3634 -8.08562 70.9681 GPRESSAVG: 3349000 -75.9475 8.25493 -50.7463 8.38119 22.2842 -10.4015 -46.7151 -8.0405 70.7043 TIMING: 3349000 CPU: 9721.79, 0.00288828/step Wall: 9721.79, 0.00288828/step, 1.3246 hours remaining, 206.968750 MB of memory in use. ENERGY: 3349000 723.1447 2105.7132 1970.1476 104.1746 -205983.6374 17472.3289 0.0000 0.0000 34008.2113 -149599.9172 297.0022 -183608.1285 -149500.8541 297.8449 -85.6634 -55.8482 556995.7653 5.4116 5.6803 PRESSURE: 3349200 -159.939 -21.4512 -4.59729 -21.4515 -126.456 140.768 -4.59546 140.768 -216.515 GPRESSURE: 3349200 -92.6598 28.7604 33.551 -124.855 -126.122 73.1388 -66.7235 166.857 -201.158 PRESSAVG: 3349200 14.8865 30.6691 -31.3675 30.6692 -15.5678 -12.8174 -31.3676 -12.8174 -2.73742 GPRESSAVG: 3349200 15.4131 28.8504 -31.2956 31.2808 -15.3778 -11.7037 -32.0953 -14.6087 -3.21163 TIMING: 3349200 CPU: 9722.37, 0.00288818/step Wall: 9722.37, 0.00288818/step, 1.32439 hours remaining, 206.968750 MB of memory in use. ENERGY: 3349200 784.9734 2102.2940 1970.3035 112.0244 -206297.6311 17749.8318 0.0000 0.0000 34015.6887 -149562.5154 297.0675 -183578.2041 -149466.7412 298.6013 -167.6368 -139.9798 557320.6056 -1.1396 -1.0588 PRESSURE: 3349400 25.3532 75.7723 -88.1194 75.7708 -63.3932 7.90621 -88.1199 7.90904 315.515 GPRESSURE: 3349400 96.3535 127.324 -149.619 73.713 -36.2786 72.1317 -64.2505 -44.3349 317.145 PRESSAVG: 3349400 18.9689 44.6915 -55.4924 44.6914 -13.0794 42.5015 -55.4925 42.5015 2.5433 GPRESSAVG: 3349400 18.0663 44.3213 -53.4029 44.135 -13.0856 40.6705 -55.4312 44.3962 3.09631 TIMING: 3349400 CPU: 9722.94, 0.00289614/step Wall: 9722.94, 0.00289614/step, 1.32788 hours remaining, 206.968750 MB of memory in use. ENERGY: 3349400 776.2724 2094.6357 1955.2353 115.9470 -206454.5609 17977.3002 0.0000 0.0000 34147.2870 -149387.8832 298.2168 -183535.1703 -149300.4974 298.4838 92.4916 125.7400 556501.5706 2.8109 2.6923 PRESSURE: 3349600 37.7369 -110.233 96.4212 -110.234 -46.6761 -27.0333 96.4201 -27.0324 82.6948 GPRESSURE: 3349600 20.0548 -130.216 81.7044 -87.8102 -51.935 -39.5425 77.1182 -23.0656 196.467 PRESSAVG: 3349600 18.3895 0.705553 21.198 0.705521 54.4252 23.974 21.1979 23.9739 -43.0395 GPRESSAVG: 3349600 19.4671 0.210567 20.0518 0.486574 52.9535 26.0694 21.6432 24.3656 -42.9812 TIMING: 3349600 CPU: 9723.52, 0.00288939/step Wall: 9723.52, 0.00288939/step, 1.32462 hours remaining, 206.968750 MB of memory in use. ENERGY: 3349600 746.3265 2113.3480 1954.1228 119.8939 -206312.5627 17936.0917 0.0000 0.0000 34305.7504 -149137.0295 299.6007 -183442.7800 -149041.3850 299.4000 24.5852 54.8621 558176.2409 9.9251 9.8131 PRESSURE: 3349800 -33.5086 232.475 27.0396 232.476 -256.181 -67.035 27.0403 -67.0357 -256.987 GPRESSURE: 3349800 -28.1814 210.857 -6.0219 245.48 -197.031 -110.293 -61.1116 -70.7405 -217.002 PRESSAVG: 3349800 24.8479 5.46439 -31.1262 5.46437 -21.3179 33.0166 -31.1262 33.0167 -33.5567 GPRESSAVG: 3349800 24.432 7.85083 -31.9165 5.48181 -20.1798 32.5973 -30.8029 32.5204 -34.2106 TIMING: 3349800 CPU: 9724.1, 0.00288159/step Wall: 9724.1, 0.0028816/step, 1.32089 hours remaining, 206.968750 MB of memory in use. ENERGY: 3349800 757.0648 2126.0468 1963.4578 113.2119 -206076.3213 17703.9000 0.0000 0.0000 34292.0889 -149120.5512 299.4813 -183412.6401 -149011.5416 299.1942 -182.2254 -147.4048 559368.0821 -10.0089 -9.9862 PRESSURE: 3350000 110.868 -12.4339 -58.4893 -12.4346 -118.741 217.78 -58.4885 217.781 -246.488 GPRESSURE: 3350000 137.582 -38.5061 59.8653 -8.71885 -82.5233 152.433 -51.1797 252.327 -220.743 PRESSAVG: 3350000 65.7544 86.3165 -52.5328 86.3165 -52.4464 46.877 -52.5328 46.877 -13.8716 GPRESSAVG: 3350000 66.0768 84.6953 -51.8374 86.8847 -52.4804 46.1037 -50.7735 48.1208 -13.7398 TIMING: 3350000 CPU: 9724.67, 0.00287608/step Wall: 9724.67, 0.00287608/step, 1.3182 hours remaining, 206.968750 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: 3350000 789.5301 2102.4903 1983.0114 106.8554 -206126.5722 17749.1770 0.0000 0.0000 34367.3498 -149028.1582 300.1386 -183395.5079 -148930.9320 299.3914 -84.7872 -55.2283 558151.4862 -0.1879 -0.0478 PRESSURE: 3350200 100.041 143.695 50.2119 143.694 -110.276 57.2409 50.2133 57.2415 -79.3151 GPRESSURE: 3350200 169.913 207.335 31.9383 89.0926 -45.279 31.1444 104.853 42.4108 -111.984 PRESSAVG: 3350200 11.8132 75.7239 -1.36025 75.724 -50.3962 26.9341 -1.3602 26.9341 36.2479 GPRESSAVG: 3350200 11.4782 76.9508 -1.93709 73.186 -49.5595 27.0333 -3.56837 28.1427 35.6247 TIMING: 3350200 CPU: 9725.25, 0.00289741/step Wall: 9725.25, 0.00289741/step, 1.32782 hours remaining, 206.968750 MB of memory in use. ENERGY: 3350200 781.7410 2144.7393 1957.9442 116.4395 -206054.6677 17840.3668 0.0000 0.0000 34110.9930 -149102.4439 297.8998 -183213.4369 -149010.9444 299.2432 -29.8503 4.2168 558690.4903 -0.7784 -0.8189 PRESSURE: 3350400 -191.538 -1.61731 21.8099 -1.61769 -162.014 -0.57674 21.8082 -0.576261 -221.698 GPRESSURE: 3350400 -160.968 -12.0817 -18.9426 -61.7615 -187.056 -35.9823 23.8029 -46.3484 -128.536 PRESSAVG: 3350400 -17.1999 37.9232 -8.43731 37.9232 -45.9325 12.3311 -8.43729 12.3311 61.5972 GPRESSAVG: 3350400 -17.9629 36.877 -6.4078 38.7174 -46.563 12.738 -9.0769 11.5703 62.8075 TIMING: 3350400 CPU: 9725.84, 0.00290996/step Wall: 9725.84, 0.00290996/step, 1.33341 hours remaining, 206.968750 MB of memory in use. ENERGY: 3350400 776.7139 2104.1031 1954.0993 108.5842 -205819.3498 17543.8630 0.0000 0.0000 34244.5514 -149087.4348 299.0662 -183331.9863 -148988.1669 298.5870 -191.7501 -158.8534 557881.3425 -0.5117 -0.5728 PRESSURE: 3350600 107.044 29.219 208.862 29.2197 94.7967 -7.77641 208.861 -7.77478 -41.6538 GPRESSURE: 3350600 170.035 58.4901 184.533 -11.0391 93.1134 68.7525 262.671 -40.0944 -16.5856 PRESSAVG: 3350600 -46.7238 55.4835 30.4485 55.4835 -30.6782 64.4815 30.4485 64.4816 74.2349 GPRESSAVG: 3350600 -46.3696 56.1585 28.5212 57.7381 -30.1469 65.6265 32.4512 62.2632 72.5933 TIMING: 3350600 CPU: 9726.41, 0.00288201/step Wall: 9726.41, 0.00288201/step, 1.32044 hours remaining, 206.968750 MB of memory in use. ENERGY: 3350600 714.2348 2063.2816 1957.5867 117.8602 -206270.6617 17859.6013 0.0000 0.0000 34506.2814 -149051.8157 301.3519 -183558.0972 -148957.8993 299.4488 53.3956 82.1877 558141.6341 -1.0557 -1.3077 PRESSURE: 3350800 -247.374 58.5057 -176.882 58.5057 -108.229 -30.3651 -176.882 -30.3645 32.6503 GPRESSURE: 3350800 -276.938 48.3103 -166.255 138.113 -4.7066 22.1608 -129.131 -93.6283 63.3189 PRESSAVG: 3350800 -41.3045 37.4755 33.6389 37.4754 31.6412 22.7046 33.6388 22.7045 39.698 GPRESSAVG: 3350800 -41.2002 36.9258 36.1643 34.0566 29.8034 21.7808 32.9894 22.9911 41.4361 TIMING: 3350800 CPU: 9726.99, 0.0029015/step Wall: 9726.99, 0.0029015/step, 1.32921 hours remaining, 206.968750 MB of memory in use. ENERGY: 3350800 745.3227 2079.8830 1948.7383 106.2781 -206010.7570 17736.4363 0.0000 0.0000 34262.7537 -149131.3449 299.2252 -183394.0986 -149035.2524 299.7392 -107.6508 -72.7751 558590.0243 10.0116 10.0131 PRESSURE: 3351000 -38.1317 80.2339 74.0757 80.2333 -40.0503 95.432 74.074 95.4331 -35.4891 GPRESSURE: 3351000 -1.6759 45.7683 65.4643 12.1315 16.8114 31.719 153.196 68.4784 -37.9984 PRESSAVG: 3351000 5.7515 29.92 -1.36202 29.92 -48.6521 -6.30469 -1.36195 -6.30469 40.985 GPRESSAVG: 3351000 4.9501 29.4137 -2.23003 31.0815 -46.5278 -9.24246 -3.24235 -5.24195 39.508 TIMING: 3351000 CPU: 9727.57, 0.00290004/step Wall: 9727.57, 0.00290004/step, 1.32838 hours remaining, 207.113281 MB of memory in use. ENERGY: 3351000 723.2350 2111.6061 1948.8240 103.6665 -206028.0769 17649.4194 0.0000 0.0000 34467.3006 -149024.0253 301.0115 -183491.3259 -148931.1913 299.3679 -37.8904 -7.6210 558882.0939 -0.6385 -0.6899 PRESSURE: 3351200 112.388 45.8931 -5.56997 45.8926 -8.98796 -58.9326 -5.57041 -58.9318 -77.5854 GPRESSURE: 3351200 190.849 33.9981 -27.9918 136.088 1.15846 42.7111 -53.5296 -83.4684 -74.0634 PRESSAVG: 3351200 63.0031 40.7279 -22.4821 40.7279 26.1818 -23.3698 -22.4822 -23.3698 -32.3086 GPRESSAVG: 3351200 64.7017 40.1297 -22.4232 43.8205 25.6103 -19.7515 -20.6866 -23.2747 -32.7683 TIMING: 3351200 CPU: 9728.16, 0.00291658/step Wall: 9728.16, 0.00291658/step, 1.33579 hours remaining, 207.113281 MB of memory in use. ENERGY: 3351200 732.4726 2092.0580 1939.0371 111.3003 -205813.2549 17654.6550 0.0000 0.0000 34398.1220 -148885.6099 300.4074 -183283.7319 -148781.5610 299.9809 8.6047 39.3148 559417.1691 18.9588 19.1812 PRESSURE: 3351400 -89.1709 147.033 116.617 147.034 -24.806 -81.9123 116.617 -81.9119 -175.231 GPRESSURE: 3351400 -33.011 68.693 70.628 261.663 -22.4009 -1.20169 89.1895 -178.419 -144.823 PRESSAVG: 3351400 28.2763 19.3305 30.6196 19.3306 -27.9989 62.2354 30.6196 62.2355 -13.3705 GPRESSAVG: 3351400 27.992 19.6096 29.8249 17.6262 -28.6322 61.4626 30.8842 61.7509 -12.2774 TIMING: 3351400 CPU: 9728.73, 0.00288901/step Wall: 9728.73, 0.00288901/step, 1.323 hours remaining, 207.171875 MB of memory in use. ENERGY: 3351400 756.1945 2096.4841 1947.3354 105.0338 -206014.1236 17917.4895 0.0000 0.0000 34241.2127 -148950.3737 299.0370 -183191.5864 -148863.2364 299.8109 -96.4025 -66.7449 559214.8990 -4.3644 -4.3059 PRESSURE: 3351600 -264.471 9.82323 150.435 9.82382 -100.885 -236.437 150.435 -236.438 -291.484 GPRESSURE: 3351600 -225.125 2.20937 140.589 16.2894 -55.8077 -222.373 218.457 -186.545 -280.127 PRESSAVG: 3351600 19.6229 14.3874 89.6201 14.3874 35.6453 38.689 89.6202 38.689 -64.5814 GPRESSAVG: 3351600 17.3891 16.2441 90.0559 14.6864 37.3799 39.3068 88.9516 40.0336 -64.3239 TIMING: 3351600 CPU: 9729.31, 0.00290744/step Wall: 9729.31, 0.00290744/step, 1.33128 hours remaining, 207.171875 MB of memory in use. ENERGY: 3351600 755.8347 2140.3076 1957.1211 102.4736 -205786.5347 17712.8218 0.0000 0.0000 34132.5151 -148985.4608 298.0877 -183117.9758 -148887.3866 299.8886 -218.9467 -187.0199 560105.6785 -3.1044 -3.1850 PRESSURE: 3351800 -56.2085 70.3853 122.109 70.385 133.705 198.9 122.109 198.9 126.364 GPRESSURE: 3351800 -49.4117 56.6713 112.71 87.359 201.5 128.538 73.7479 175.462 139.37 PRESSAVG: 3351800 -32.9742 -9.53604 -16.6327 -9.53602 15.5048 -26.9646 -16.6327 -26.9646 -9.04601 GPRESSAVG: 3351800 -32.0297 -10.5472 -17.0253 -11.1799 13.6874 -25.8042 -17.4531 -26.5455 -8.85485 TIMING: 3351800 CPU: 9729.9, 0.00290667/step Wall: 9729.9, 0.00290667/step, 1.33077 hours remaining, 207.171875 MB of memory in use. ENERGY: 3351800 742.6696 2062.3146 1970.4350 117.3731 -205963.3519 17946.9952 0.0000 0.0000 34371.6004 -148751.9640 300.1757 -183123.5644 -148653.1973 300.2799 67.9536 97.1528 558445.4076 -8.8385 -9.0657 PRESSURE: 3352000 140.15 111.825 70.8238 111.824 -18.5684 285.905 70.8238 285.907 55.1398 GPRESSURE: 3352000 129.395 69.8854 -2.96898 72.5536 69.684 330.51 61.4566 265.093 67.8623 PRESSAVG: 3352000 -33.8896 35.9835 -25.7774 35.9835 71.3217 16.8457 -25.7774 16.8457 24.7866 GPRESSAVG: 3352000 -34.6466 36.6909 -25.1899 39.1412 72.2413 15.0921 -25.6004 15.6336 24.536 TIMING: 3352000 CPU: 9730.48, 0.00291017/step Wall: 9730.48, 0.00291017/step, 1.33221 hours remaining, 207.171875 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: 3352000 731.9483 2055.1228 1966.1861 117.0362 -205833.1675 17746.8302 0.0000 0.0000 34298.6135 -148917.4304 299.5383 -183216.0440 -148816.1348 300.5624 58.9072 88.9803 558156.3935 20.7396 20.7102 PRESSURE: 3352200 361.299 -60.6248 -100.116 -60.6261 57.4123 -29.3545 -100.116 -29.3556 269.812 GPRESSURE: 3352200 379.487 -30.9378 -34.2091 -76.9466 81.5383 -41.8121 -113.04 -24.2928 316.226 PRESSAVG: 3352200 -38.317 5.22164 29.2674 5.2216 2.50339 51.8715 29.2675 51.8715 -29.3002 GPRESSAVG: 3352200 -38.0273 3.12207 29.2851 4.42256 1.78839 50.2801 30.475 52.5595 -28.7767 TIMING: 3352200 CPU: 9731.06, 0.00290744/step Wall: 9731.06, 0.00290744/step, 1.3308 hours remaining, 207.171875 MB of memory in use. ENERGY: 3352200 716.9900 2093.0338 1993.0769 119.4681 -206424.3868 18086.8726 0.0000 0.0000 34470.2817 -148944.6637 301.0375 -183414.9454 -148847.7184 299.6788 229.5079 259.0838 556506.9268 -21.7046 -21.6719 LDB: ============= START OF LOAD BALANCING ============== 9734.53 LDB: ============== END OF LOAD BALANCING =============== 9734.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9734.53 LDB: ============= START OF LOAD BALANCING ============== 9734.82 LDB: Largest compute 4820 load 0.029191 is 24.8% of average load 0.117712 LDB: Average compute 0.001720 is 1.5% of average load 0.117712 LDB: TIME 9734.82 LOAD: AVG 0.117712 MAX 0.177956 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.262 MB LDB: TIME 9734.82 LOAD: AVG 0.117712 MAX 0.177956 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: TIME 9734.82 LOAD: AVG 0.117712 MAX 0.177956 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9734.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9734.83 PRESSURE: 3352400 -37.575 9.48123 -123.894 9.48046 -43.4046 75.0954 -123.895 75.0965 250.641 GPRESSURE: 3352400 20.1097 67.0181 -82.1544 -81.6749 22.339 109.41 -198.781 44.612 233.082 PRESSAVG: 3352400 -29.6682 20.5537 11.8784 20.5537 -5.69725 58.6974 11.8783 58.6974 40.446 GPRESSAVG: 3352400 -29.6293 21.6841 10.3288 17.7264 -4.43225 59.4318 11.0019 60.2211 39.0445 TIMING: 3352400 CPU: 9731.65, 0.0029567/step Wall: 9731.65, 0.0029567/step, 1.35318 hours remaining, 205.890625 MB of memory in use. ENERGY: 3352400 728.2296 2165.8964 1962.8928 121.7124 -206204.7791 17993.2017 0.0000 0.0000 34405.1019 -148827.7443 300.4683 -183232.8462 -148735.7166 300.5577 56.5537 91.8435 557890.6140 1.6935 1.6610 PRESSURE: 3352600 -42.7139 78.0442 45.8354 78.0452 23.3467 58.6726 45.8359 58.6726 -97.503 GPRESSURE: 3352600 30.0276 -6.03595 85.77 207.59 27.7064 65.3689 88.2654 53.8795 -69.1701 PRESSAVG: 3352600 -95.0673 22.9396 37.4679 22.9395 -2.44159 55.19 37.468 55.19 71.8762 GPRESSAVG: 3352600 -95.1379 22.3982 36.9784 25.357 -3.30111 55.6803 39.551 54.3426 72.572 TIMING: 3352600 CPU: 9732.23, 0.00289487/step Wall: 9732.23, 0.00289488/step, 1.32473 hours remaining, 206.093750 MB of memory in use. ENERGY: 3352600 749.9826 2094.7916 1964.5398 106.9136 -205735.9847 17687.4651 0.0000 0.0000 34333.3159 -148798.9761 299.8414 -183132.2920 -148700.2998 301.1765 -38.9567 -3.8120 558268.6417 -8.5443 -8.6223 PRESSURE: 3352800 -127.162 24.6777 -47.768 24.6763 -211.279 -65.9173 -47.7678 -65.9185 9.11137 GPRESSURE: 3352800 -138.385 86.1157 -98.3715 32.4818 -126.106 -60.5593 -37.5731 -85.7125 32.0343 PRESSAVG: 3352800 2.23232 43.886 69.9392 43.886 -9.83419 15.759 69.9392 15.759 5.68345 GPRESSAVG: 3352800 1.89856 44.7823 70.1087 43.6991 -8.75279 16.9685 69.881 14.433 4.93085 TIMING: 3352800 CPU: 9732.81, 0.00290023/step Wall: 9732.81, 0.00290023/step, 1.32702 hours remaining, 206.093750 MB of memory in use. ENERGY: 3352800 770.2133 2061.8914 1966.9702 118.2978 -206229.0078 17881.4670 0.0000 0.0000 34525.7990 -148904.3691 301.5224 -183430.1681 -148805.8042 301.3043 -109.7769 -77.4857 559005.3929 -0.6395 -0.6411 PRESSURE: 3353000 -64.9368 32.9354 165.564 32.9353 -180.33 -108.993 165.564 -108.993 -138.678 GPRESSURE: 3353000 -58.0631 12.304 194.694 37.2863 -132.024 -31.5781 90.9598 -135.314 -97.0154 PRESSAVG: 3353000 76.1555 -54.4271 -13.8848 -54.427 -47.7159 -14.1759 -13.8848 -14.176 -13.3802 GPRESSAVG: 3353000 75.5966 -52.9154 -14.3618 -53.8151 -47.5996 -14.5855 -14.1093 -13.4175 -12.2967 TIMING: 3353000 CPU: 9733.39, 0.00288433/step Wall: 9733.39, 0.00288433/step, 1.31958 hours remaining, 206.093750 MB of memory in use. ENERGY: 3353000 769.9708 2101.7045 1965.4768 122.1366 -205756.5222 17512.3125 0.0000 0.0000 34360.6241 -148924.2969 300.0799 -183284.9211 -148827.7025 300.5344 -127.9814 -95.7007 558626.3330 5.0198 5.2335 PRESSURE: 3353200 174.842 -73.0761 -77.429 -73.0765 -225.427 -43.5341 -77.4296 -43.5342 -80.9063 GPRESSURE: 3353200 139.489 -168.347 -144.385 -74.4099 -156.36 -0.786745 -78.6904 -22.8565 -6.044 PRESSAVG: 3353200 54.0387 -27.5988 33.411 -27.5987 -20.4177 -41.7671 33.411 -41.7672 -44.9483 GPRESSAVG: 3353200 55.5564 -27.6239 34.9387 -28.6013 -19.8704 -42.3228 32.5465 -40.5696 -46.3555 TIMING: 3353200 CPU: 9733.96, 0.0028769/step Wall: 9733.96, 0.0028769/step, 1.31602 hours remaining, 206.296875 MB of memory in use. ENERGY: 3353200 728.9956 2092.0040 1946.5962 119.1652 -206009.3449 17771.2288 0.0000 0.0000 34238.0915 -149113.2635 299.0098 -183351.3550 -149019.1903 300.1203 -43.8302 -7.6382 558840.5658 -3.7758 -3.5565 PRESSURE: 3353400 71.0481 46.8424 62.8601 46.8419 295.129 -125.463 62.8608 -125.465 113.408 GPRESSURE: 3353400 142.788 23.0713 33.993 54.8633 309.109 -141.792 119.229 -137.93 122.726 PRESSAVG: 3353400 67.2209 -28.7624 18.5222 -28.7624 -33.3666 -35.3962 18.5223 -35.3963 -38.1097 GPRESSAVG: 3353400 66.3541 -31.3784 18.2437 -28.0039 -33.2943 -36.312 17.1067 -35.9813 -37.2733 TIMING: 3353400 CPU: 9734.54, 0.00290863/step Wall: 9734.54, 0.00290863/step, 1.33038 hours remaining, 206.296875 MB of memory in use. ENERGY: 3353400 727.4391 2093.2623 1945.0314 108.8698 -206528.7295 18170.8873 0.0000 0.0000 34312.0482 -149171.1913 299.6557 -183483.2395 -149079.4660 299.7078 159.8620 191.5409 557019.9457 -1.4185 -1.4045 PRESSURE: 3353600 135.674 -99.0718 147.955 -99.0704 -126.066 -98.3111 147.956 -98.3102 -352.954 GPRESSURE: 3353600 171.602 -57.6201 187.667 -144.363 -120.28 -75.9503 157.023 -122.362 -298.106 PRESSAVG: 3353600 62.9458 -9.19699 63.0408 -9.19696 -53.2879 -19.5688 63.0407 -19.5687 25.5118 GPRESSAVG: 3353600 63.0463 -6.49955 63.2937 -10.5617 -53.0886 -18.3762 65.3468 -20.8973 25.0671 TIMING: 3353600 CPU: 9735.12, 0.00289371/step Wall: 9735.12, 0.00289371/step, 1.32339 hours remaining, 206.296875 MB of memory in use. ENERGY: 3353600 709.6007 2100.4679 1958.1516 103.3981 -205868.1060 17693.4812 0.0000 0.0000 34320.7210 -148982.2855 299.7314 -183303.0065 -148891.9553 299.8815 -114.4487 -82.2612 559566.4365 11.7233 11.6749 PRESSURE: 3353800 -41.5877 -102.732 -40.1859 -102.733 -241.035 -29.5233 -40.1865 -29.5235 -4.57129 GPRESSURE: 3353800 5.14133 -51.5594 -25.8529 -118.789 -235.425 -35.2681 -49.9007 -100.512 45.2986 PRESSAVG: 3353800 87.2431 -46.9816 -18.1446 -46.9817 -16.8129 -27.8323 -18.1446 -27.8323 -63.2884 GPRESSAVG: 3353800 88.0097 -47.6787 -17.9414 -45.9035 -16.746 -29.47 -19.5702 -27.4926 -63.8311 TIMING: 3353800 CPU: 9735.7, 0.0029116/step Wall: 9735.7, 0.0029116/step, 1.33141 hours remaining, 206.296875 MB of memory in use. ENERGY: 3353800 738.7087 2108.0050 1959.3589 112.1480 -206286.6062 17818.1107 0.0000 0.0000 34591.2084 -148959.0665 302.0936 -183550.2748 -148864.6901 299.8634 -95.7313 -61.6616 557960.8739 2.3806 2.4775 PRESSURE: 3354000 -374.682 73.7416 -195.183 73.7427 -71.8557 -87.116 -195.184 -87.1173 -39.9338 GPRESSURE: 3354000 -353.48 57.7052 -269.955 -19.1212 -9.04736 -76.3941 -132.2 -99.6987 -30.3977 PRESSAVG: 3354000 42.5554 -25.0349 -24.6901 -25.0349 -8.28135 -19.0604 -24.69 -19.0605 -2.82817 GPRESSAVG: 3354000 42.9647 -24.3543 -25.1853 -27.1851 -9.24555 -16.4962 -25.1068 -20.3899 -1.95363 TIMING: 3354000 CPU: 9736.29, 0.00290956/step Wall: 9736.29, 0.00290956/step, 1.33032 hours remaining, 206.296875 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: 3354000 741.0079 2116.8945 1944.4342 118.3794 -205986.1771 17630.2668 0.0000 0.0000 34188.3177 -149246.8766 298.5751 -183435.1943 -149149.2876 299.5781 -162.1571 -130.9751 558415.3669 10.4820 10.5885 PRESSURE: 3354200 -75.1155 168.35 -8.89453 168.349 -9.82684 135.17 -8.89495 135.17 -196.89 GPRESSURE: 3354200 -72.244 75.2385 -15.9047 225.992 21.6855 60.7389 1.23896 88.8686 -133.466 PRESSAVG: 3354200 -2.39832 35.9765 2.22133 35.9764 -14.5007 -4.2692 2.22137 -4.26922 -23.3034 GPRESSAVG: 3354200 -2.24355 33.6536 2.29437 37.3411 -14.5824 -4.46783 2.25261 -3.19896 -23.853 TIMING: 3354200 CPU: 9736.87, 0.00289203/step Wall: 9736.87, 0.00289203/step, 1.32214 hours remaining, 206.296875 MB of memory in use. ENERGY: 3354200 752.5081 2066.5128 1942.1123 126.1359 -206045.1840 17711.3764 0.0000 0.0000 34047.8759 -149398.6626 297.3486 -183446.5386 -149306.9489 298.5443 -93.9441 -61.3417 558226.3993 -13.4008 -13.5596 PRESSURE: 3354400 102.376 -166.441 74.7056 -166.442 321.338 37.493 74.7053 37.4915 52.7301 GPRESSURE: 3354400 98.2923 -145.36 112.867 -213.655 374.26 40.7888 161.892 45.8345 86.0442 PRESSAVG: 3354400 14.2158 -12.3682 45.9139 -12.3682 23.9154 -5.99972 45.9139 -5.99972 -73.1155 GPRESSAVG: 3354400 13.6963 -9.65912 44.4036 -14.8296 24.2102 -8.71594 45.6521 -7.04702 -72.8636 TIMING: 3354400 CPU: 9737.44, 0.00289006/step Wall: 9737.44, 0.00289006/step, 1.32108 hours remaining, 206.500000 MB of memory in use. ENERGY: 3354400 741.6097 2141.4462 1922.9351 105.3876 -206160.8195 17955.4097 0.0000 0.0000 34142.6717 -149151.3595 298.1764 -183294.0312 -149053.1329 298.3449 158.8146 186.1989 556535.4400 -11.6614 -11.6524 PRESSURE: 3354600 -208.091 164.667 143.336 164.667 -274.098 -6.44453 143.337 -6.44399 -59.5072 GPRESSURE: 3354600 -203.967 105.537 232.34 161.782 -186.955 -56.3532 50.9654 -16.3287 -53.1067 PRESSAVG: 3354600 -33.8392 -14.9153 -12.915 -14.9153 29.751 6.60852 -12.915 6.60837 18.6201 GPRESSAVG: 3354600 -33.8433 -15.9117 -11.4645 -12.9479 29.8598 6.76226 -11.9678 9.88509 18.6362 TIMING: 3354600 CPU: 9738.03, 0.00291084/step Wall: 9738.03, 0.00291084/step, 1.33041 hours remaining, 206.500000 MB of memory in use. ENERGY: 3354600 742.5921 2162.5771 1938.1257 108.1439 -206042.9880 17491.8788 0.0000 0.0000 34416.0002 -149183.6702 300.5635 -183599.6704 -149087.8176 299.8484 -180.5654 -148.0097 556015.2089 4.8440 4.8842 PRESSURE: 3354800 -179.053 16.9277 5.68215 16.9283 -62.6408 181.572 5.68293 181.571 206.115 GPRESSURE: 3354800 -165.637 59.999 -18.131 -63.3595 -3.00991 192.516 56.9739 68.1107 246.593 PRESSAVG: 3354800 -67.4516 5.53455 2.30549 5.53449 50.833 51.1916 2.30551 51.1916 7.62634 GPRESSAVG: 3354800 -68.2298 5.36409 2.09154 5.28005 51.1102 52.3188 2.56152 48.2272 8.60446 TIMING: 3354800 CPU: 9738.6, 0.00289797/step Wall: 9738.6, 0.00289797/step, 1.32437 hours remaining, 206.500000 MB of memory in use. ENERGY: 3354800 747.0447 2018.3286 1960.6209 103.2970 -206269.2858 17763.4223 0.0000 0.0000 34192.4449 -149484.1274 298.6111 -183676.5723 -149382.2987 299.2023 -11.8596 25.9823 556151.6999 -2.9974 -2.8384 PRESSURE: 3355000 -240.718 -77.0608 -108.978 -77.0622 -91.4584 67.7548 -108.978 67.754 224.773 GPRESSURE: 3355000 -180.023 -9.29692 -36.6168 -91.2512 -101.184 65.4873 -63.8798 2.46265 265.305 PRESSAVG: 3355000 -0.191453 -28.2823 -40.5347 -28.2823 -33.6343 79.5072 -40.5347 79.5071 65.0274 GPRESSAVG: 3355000 0.867418 -29.2612 -40.5584 -28.1896 -33.9924 78.4788 -38.9435 81.4177 64.1298 TIMING: 3355000 CPU: 9739.19, 0.00290164/step Wall: 9739.19, 0.00290164/step, 1.32589 hours remaining, 206.500000 MB of memory in use. ENERGY: 3355000 762.2950 2106.4939 1967.6314 120.3252 -206395.4186 17707.9660 0.0000 0.0000 34250.8326 -149479.8745 299.1210 -183730.7071 -149383.6881 298.3695 -35.8014 -5.3008 556186.5327 10.4005 10.3349 PRESSURE: 3355200 -220.91 23.0403 13.2049 23.0403 -67.1891 -58.616 13.2042 -58.6154 -22.8415 GPRESSURE: 3355200 -184.264 53.1567 7.24382 37.3938 -75.6518 -89.3039 23.9181 -85.7606 48.5542 PRESSAVG: 3355200 28.1273 5.55841 22.3614 5.55837 -28.7993 20.6666 22.3614 20.6666 15.3976 GPRESSAVG: 3355200 28.5776 5.52252 24.0444 5.88835 -29.5931 19.2993 20.7132 20.458 15.5125 TIMING: 3355200 CPU: 9739.77, 0.00292882/step Wall: 9739.77, 0.00292882/step, 1.33815 hours remaining, 206.500000 MB of memory in use. ENERGY: 3355200 740.4354 2091.8445 1957.5050 101.4386 -205980.8042 17714.8551 0.0000 0.0000 34058.5354 -149316.1902 297.4417 -183374.7256 -149219.2683 298.4695 -103.6469 -70.4539 558459.5104 4.9085 4.8323 PRESSURE: 3355400 -80.8396 -177.543 95.442 -177.543 163.851 3.44718 95.4402 3.44705 106.133 GPRESSURE: 3355400 -36.4638 -209.296 78.7765 -162.85 145.545 -15.7888 70.6442 0.138315 188.588 PRESSAVG: 3355400 -2.81595 -32.2152 65.3627 -32.2153 39.9211 9.6518 65.3627 9.65169 -60.3086 GPRESSAVG: 3355400 -3.57185 -31.991 64.9887 -32.0721 40.8458 9.18372 67.133 11.7662 -59.6706 TIMING: 3355400 CPU: 9740.35, 0.00290225/step Wall: 9740.35, 0.00290225/step, 1.32585 hours remaining, 206.500000 MB of memory in use. ENERGY: 3355400 693.7331 2108.0090 1957.8409 123.0249 -205869.1926 17772.6641 0.0000 0.0000 34021.2209 -149192.6996 297.1158 -183213.9205 -149088.2044 299.0442 63.0479 99.2230 556572.9083 -7.7345 -7.4655 PRESSURE: 3355600 -315.482 -95.0439 -141.976 -95.0454 -244.387 -109.554 -141.976 -109.555 -23.6487 GPRESSURE: 3355600 -337.729 -29.2162 -241.434 -113.471 -158.858 -116.385 -118.209 -113.387 18.7196 PRESSAVG: 3355600 -18.8032 -6.95797 -7.39241 -6.95798 3.98195 -32.7585 -7.39234 -32.7584 78.7779 GPRESSAVG: 3355600 -19.72 -7.5112 -9.35959 -8.08318 4.46193 -33.376 -7.84279 -33.4151 78.8429 TIMING: 3355600 CPU: 9740.93, 0.00290468/step Wall: 9740.93, 0.00290468/step, 1.3268 hours remaining, 206.500000 MB of memory in use. ENERGY: 3355600 740.1140 2126.6024 1973.2678 107.6721 -206091.2441 17554.5214 0.0000 0.0000 34396.5869 -149192.4796 300.3939 -183589.0665 -149101.9477 299.0203 -194.5058 -159.2892 558306.7357 21.3189 21.1950 PRESSURE: 3355800 81.663 -76.3099 -93.5534 -76.3088 75.2809 26.8696 -93.5532 26.8711 -266.475 GPRESSURE: 3355800 139.649 -35.7846 -123.913 -75.375 65.3951 56.3049 -92.2208 -27.5104 -213.322 PRESSAVG: 3355800 34.4303 -24.102 -18.1756 -24.1021 3.35914 -42.6428 -18.1755 -42.6429 -35.98 GPRESSAVG: 3355800 33.963 -24.3155 -17.9743 -22.9975 3.89962 -41.3133 -18.5624 -45.8419 -36.4927 TIMING: 3355800 CPU: 9741.51, 0.00288004/step Wall: 9741.51, 0.00288004/step, 1.31538 hours remaining, 206.500000 MB of memory in use. ENERGY: 3355800 759.0561 2115.8329 1911.5570 124.5091 -206162.3706 17853.0683 0.0000 0.0000 34254.1813 -149144.1659 299.1503 -183398.3472 -149051.0572 299.7255 -36.5102 -2.7593 557709.8119 0.6031 0.4566 PRESSURE: 3356000 -161.054 -168.857 51.1378 -168.856 -344.99 -60.1526 51.1374 -60.1525 -267.323 GPRESSURE: 3356000 -176.122 -186.629 -81.983 -138.211 -283.716 -1.05067 125.677 -28.5623 -222.687 PRESSAVG: 3356000 37.8441 -13.9538 -14.9093 -13.9539 -40.4489 15.5427 -14.9092 15.5428 21.2182 GPRESSAVG: 3356000 38.8282 -14.1795 -14.8447 -13.6077 -41.943 15.8727 -15.9673 16.3564 21.257 TIMING: 3356000 CPU: 9742.09, 0.00290312/step Wall: 9742.09, 0.00290312/step, 1.32576 hours remaining, 206.500000 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: 3356000 737.3003 2021.0026 1954.6429 104.2069 -205752.5649 17440.4791 0.0000 0.0000 34247.6781 -149247.2551 299.0935 -183494.9332 -149146.4053 299.3057 -257.7889 -227.5086 558142.8251 6.2045 6.0474 PRESSURE: 3356200 64.1333 70.8966 -22.777 70.8964 -3.72647 18.7216 -22.7769 18.7207 188.359 GPRESSURE: 3356200 135.012 45.8791 -33.187 -2.67842 7.78306 68.27 -13.5952 45.5842 216.459 PRESSAVG: 3356200 -10.3291 2.25545 8.27263 2.25547 -61.1737 -12.9009 8.27262 -12.9009 39.1519 GPRESSAVG: 3356200 -10.7563 2.07296 9.84325 0.720939 -60.0105 -11.6843 7.20838 -13.9887 38.9226 TIMING: 3356200 CPU: 9742.67, 0.0029034/step Wall: 9742.67, 0.0029034/step, 1.32573 hours remaining, 206.500000 MB of memory in use. ENERGY: 3356200 751.7678 2046.2005 1950.5075 117.7644 -206139.8303 17827.4628 0.0000 0.0000 34322.1502 -149123.9770 299.7439 -183446.1272 -149030.1253 299.6604 82.9220 119.7512 556814.0834 -10.7837 -10.6147 LDB: ============= START OF LOAD BALANCING ============== 9746.14 LDB: ============== END OF LOAD BALANCING =============== 9746.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9746.14 LDB: ============= START OF LOAD BALANCING ============== 9746.43 LDB: Largest compute 4820 load 0.029415 is 25.0% of average load 0.117785 LDB: Average compute 0.001715 is 1.5% of average load 0.117785 LDB: TIME 9746.43 LOAD: AVG 0.117785 MAX 0.178752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 9746.43 LOAD: AVG 0.117785 MAX 0.178752 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: TIME 9746.43 LOAD: AVG 0.117785 MAX 0.178752 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9746.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9746.44 PRESSURE: 3356400 -116.835 -205.339 -65.395 -205.339 -142.08 185.462 -65.3954 185.462 -3.68682 GPRESSURE: 3356400 -156.231 -219.937 -54.1763 -172.392 -127.904 100.857 -68.4045 190.468 113.427 PRESSAVG: 3356400 -24.7537 -66.5744 -44.2149 -66.5744 -22.0666 -53.8282 -44.2148 -53.8279 32.7539 GPRESSAVG: 3356400 -26.1123 -66.3486 -45.6895 -63.8754 -21.5063 -54.1806 -43.7659 -52.9848 33.6357 TIMING: 3356400 CPU: 9743.26, 0.00295922/step Wall: 9743.26, 0.00295922/step, 1.35105 hours remaining, 206.976562 MB of memory in use. ENERGY: 3356400 766.2873 2084.2353 1958.5901 104.9521 -206184.6585 17881.6972 0.0000 0.0000 34543.1641 -148845.7323 301.6740 -183388.8964 -148744.2577 299.4500 -87.5341 -56.9026 558635.7373 -4.6888 -4.6610 PRESSURE: 3356600 158.564 -120.879 -126.924 -120.878 61.8146 -70.897 -126.925 -70.897 -62.3545 GPRESSURE: 3356600 228.364 -115.684 -169.374 -164.274 55.9099 -80.0935 -93.6503 -111.225 -16.2894 PRESSAVG: 3356600 -31.5424 -15.0826 18.257 -15.0825 -23.9228 18.4318 18.257 18.4317 51.3196 GPRESSAVG: 3356600 -30.2514 -15.7172 19.0152 -17.0506 -23.4459 18.3677 19.0686 18.918 49.6661 TIMING: 3356600 CPU: 9743.84, 0.00289974/step Wall: 9743.84, 0.00289974/step, 1.32373 hours remaining, 207.503906 MB of memory in use. ENERGY: 3356600 745.7005 2094.0667 1945.5761 126.7694 -205900.0447 17815.6514 0.0000 0.0000 34446.4987 -148725.7819 300.8298 -183172.2806 -148629.7170 300.1354 52.6748 89.3282 557805.6671 -1.3819 -1.3437 PRESSURE: 3356800 105.558 -241.039 -128.602 -241.038 -26.1012 -26.3199 -128.601 -26.3201 -283.765 GPRESSURE: 3356800 158.299 -173.634 -156.989 -192.9 55.1466 -33.6212 -115.148 -22.0488 -326.634 PRESSAVG: 3356800 34.672 -60.9877 -47.4935 -60.9877 -20.6421 43.8889 -47.4935 43.889 -22.1786 GPRESSAVG: 3356800 35.9752 -59.815 -47.5061 -60.1023 -21.6501 40.9176 -47.5779 45.8819 -22.4208 TIMING: 3356800 CPU: 9744.43, 0.002927/step Wall: 9744.43, 0.002927/step, 1.33601 hours remaining, 207.503906 MB of memory in use. ENERGY: 3356800 746.7627 2049.6531 1941.2553 125.5564 -205856.3763 17716.1377 0.0000 0.0000 34610.7235 -148666.2876 302.2641 -183277.0111 -148578.4358 300.9033 -68.1026 -37.7296 557955.9582 -2.7162 -2.6986 PRESSURE: 3357000 6.07302 -33.6086 20.1115 -33.608 -152.065 13.2549 20.1113 13.254 169.091 GPRESSURE: 3357000 79.1979 -8.64287 -58.566 136.512 -150.544 77.6745 66.0422 2.23634 183.667 PRESSAVG: 3357000 27.8286 -29.7187 -9.80988 -29.7186 -7.30611 -4.68755 -9.80981 -4.68761 -17.0735 GPRESSAVG: 3357000 26.6794 -30.9516 -9.15379 -29.6225 -7.36091 -3.12082 -10.8065 -7.12679 -17.0537 TIMING: 3357000 CPU: 9745.01, 0.002932/step Wall: 9745.01, 0.002932/step, 1.33813 hours remaining, 207.761719 MB of memory in use. ENERGY: 3357000 724.0384 2136.1965 1949.1672 102.2151 -205685.1948 17636.4680 0.0000 0.0000 34389.8132 -148747.2964 300.3348 -183137.1095 -148649.4253 300.3371 7.6997 37.4403 559381.8510 1.1497 0.7549 PRESSURE: 3357200 208.265 -36.8359 -101.885 -36.8352 -132.719 80.9295 -101.885 80.9308 -76.431 GPRESSURE: 3357200 199.622 -71.9142 -138.717 -1.16358 -78.2367 109.306 -71.0116 1.91272 -21.0264 PRESSAVG: 3357200 24.2254 17.2081 44.4947 17.2081 20.9035 29.8144 44.4946 29.8145 -8.78388 GPRESSAVG: 3357200 23.5877 16.9729 43.893 18.9033 20.5102 30.2709 45.4296 30.0943 -7.83683 TIMING: 3357200 CPU: 9745.59, 0.00289317/step Wall: 9745.59, 0.00289317/step, 1.32025 hours remaining, 207.835938 MB of memory in use. ENERGY: 3357200 732.5656 2095.8719 1960.6109 110.5366 -205580.7211 17693.0375 0.0000 0.0000 34205.7387 -148782.3599 298.7272 -182988.0986 -148685.0380 299.8472 -0.2952 33.4529 559198.4039 12.1150 12.0870 PRESSURE: 3357400 65.3151 -307.152 133.153 -307.152 76.7228 115.255 133.152 115.254 -30.2825 GPRESSURE: 3357400 73.2389 -278.343 42.6316 -336.835 135.834 125.438 124.641 14.6834 -4.9442 PRESSAVG: 3357400 -4.50557 -27.6155 15.539 -27.6155 -0.288386 39.9794 15.539 39.9793 4.6672 GPRESSAVG: 3357400 -4.29893 -26.4008 14.2916 -31.0409 0.0405158 41.1945 14.4442 39.633 4.34088 TIMING: 3357400 CPU: 9746.17, 0.00289123/step Wall: 9746.17, 0.00289123/step, 1.3192 hours remaining, 207.835938 MB of memory in use. ENERGY: 3357400 737.9084 2139.0518 1951.1821 106.2393 -205890.2164 17951.4802 0.0000 0.0000 34275.4063 -148728.9482 299.3356 -183004.3545 -148633.6577 299.8424 37.2518 68.0430 560152.8048 -0.0423 0.0275 PRESSURE: 3357600 58.2348 -44.7218 90.1307 -44.7222 135.503 55.3599 90.1301 55.3589 -3.06187 GPRESSURE: 3357600 139.773 -203.59 62.8938 46.0351 101.861 30.3617 -15.2103 97.0863 47.0412 PRESSAVG: 3357600 33.7494 21.205 -34.0121 21.2049 -17.3036 36.5478 -34.0121 36.5478 -37.0807 GPRESSAVG: 3357600 34.2241 19.991 -32.4467 23.3019 -17.1178 33.1962 -34.6334 39.1942 -37.9164 TIMING: 3357600 CPU: 9746.75, 0.00290804/step Wall: 9746.75, 0.00290804/step, 1.32671 hours remaining, 207.835938 MB of memory in use. ENERGY: 3357600 756.3197 2083.6060 1941.1696 115.6710 -206312.3869 17975.8132 0.0000 0.0000 34362.1952 -149077.6123 300.0936 -183439.8075 -148982.9783 299.9847 63.5585 96.2250 558422.8642 -6.8783 -6.9367 PRESSURE: 3357800 55.6955 -1.77844 -128.405 -1.77894 -84.9909 -154.676 -128.405 -154.675 222.502 GPRESSURE: 3357800 69.8819 -67.8828 -149.525 73.5665 -43.199 -184.815 -156.682 -83.9853 261.047 PRESSAVG: 3357800 -24.8745 -63.951 13.9564 -63.951 65.9712 -2.49325 13.9565 -2.49338 -39.2038 GPRESSAVG: 3357800 -25.7568 -64.9651 13.4018 -63.0679 65.8254 -0.0752661 13.9551 -3.07502 -38.3373 TIMING: 3357800 CPU: 9747.33, 0.00289432/step Wall: 9747.33, 0.00289432/step, 1.32029 hours remaining, 207.835938 MB of memory in use. ENERGY: 3357800 762.9007 2139.1919 1955.3201 104.7345 -206252.1006 17974.7726 0.0000 0.0000 34385.0148 -148930.1659 300.2929 -183315.1807 -148829.7080 300.0825 64.4021 95.9100 557087.0108 0.6310 0.5771 PRESSURE: 3358000 113.488 73.8792 52.2884 73.8785 223.543 214.156 52.2873 214.156 -82.917 GPRESSURE: 3358000 127.005 65.5984 61.1952 138.879 296.108 187.706 131.942 196.131 -76.9275 PRESSAVG: 3358000 37.6324 36.993 -40.5652 36.9928 15.9366 47.0845 -40.5652 47.0845 3.39736 GPRESSAVG: 3358000 37.8749 38.2732 -41.0906 37.9378 15.5181 45.5784 -39.4039 48.0668 3.87974 TIMING: 3358000 CPU: 9747.91, 0.00290534/step Wall: 9747.91, 0.00290534/step, 1.32516 hours remaining, 207.835938 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: 3358000 765.8672 2054.8637 1935.1871 118.0758 -206019.5042 17811.0898 0.0000 0.0000 34298.8256 -149035.5949 299.5402 -183334.4205 -148944.7928 300.1647 84.7047 115.3950 556540.3681 18.9888 19.0909 PRESSURE: 3358200 -215.706 31.3 37.1665 31.2992 -129.515 45.8338 37.167 45.834 2.04634 GPRESSURE: 3358200 -182.881 95.0465 -60.1451 -3.2836 -47.2128 99.238 125.921 39.929 -15.9427 PRESSAVG: 3358200 -21.0113 -5.58803 6.52355 -5.58802 63.0939 49.2003 6.52357 49.2002 -41.4209 GPRESSAVG: 3358200 -21.2735 -4.41413 7.8652 -5.12743 63.6079 49.7516 5.86887 45.6905 -41.5419 TIMING: 3358200 CPU: 9748.49, 0.00288508/step Wall: 9748.49, 0.00288508/step, 1.31576 hours remaining, 207.835938 MB of memory in use. ENERGY: 3358200 758.6682 2094.2631 1948.4941 115.3420 -205841.1641 17532.6338 0.0000 0.0000 34276.4576 -149115.3052 299.3448 -183391.7628 -149017.9023 299.4461 -114.3916 -82.0123 557125.6093 0.2206 0.2641 PRESSURE: 3358400 80.3373 -50.8369 79.673 -50.836 38.1709 -117.778 79.6732 -117.778 -8.25988 GPRESSURE: 3358400 112.997 -27.3867 98.5082 -111.833 106.576 -85.1114 24.3058 -157.275 -9.69194 PRESSAVG: 3358400 -6.55054 -27.1541 6.57527 -27.1541 51.5268 9.22462 6.57525 9.22465 -13.6744 GPRESSAVG: 3358400 -6.15491 -27.4019 6.64954 -26.771 51.5232 6.86339 7.16557 12.9459 -13.8586 TIMING: 3358400 CPU: 9749.07, 0.00290003/step Wall: 9749.07, 0.00290003/step, 1.32241 hours remaining, 207.835938 MB of memory in use. ENERGY: 3358400 708.3076 2119.9163 1945.3668 103.3380 -205787.6439 17599.7367 0.0000 0.0000 34262.8301 -149048.1484 299.2258 -183310.9785 -148962.4568 299.7634 36.7494 69.9602 559363.9572 10.4340 10.5032 PRESSURE: 3358600 -39.8486 -132.459 -26.2796 -132.459 -54.5904 79.919 -26.2806 79.9211 -58.6185 GPRESSURE: 3358600 -14.5298 -179.175 -59.7493 -79.0416 18.2508 47.8908 -8.93272 29.6526 -59.0588 PRESSAVG: 3358600 -20.4991 -6.65208 -4.71216 -6.65207 50.5331 3.86591 -4.71214 3.86595 -24.0917 GPRESSAVG: 3358600 -20.4722 -6.622 -5.07458 -8.64546 50.492 4.62973 -3.38157 1.43462 -23.8364 TIMING: 3358600 CPU: 9749.65, 0.00288689/step Wall: 9749.65, 0.00288689/step, 1.31626 hours remaining, 207.835938 MB of memory in use. ENERGY: 3358600 736.8640 2088.5825 1996.2198 113.4708 -206235.1344 17772.1965 0.0000 0.0000 34453.6582 -149074.1426 300.8924 -183527.8007 -148980.5955 299.4119 -51.0191 -18.4459 558752.5810 1.9808 2.0611 PRESSURE: 3358800 -263.179 46.2375 43.1351 46.2361 -38.5841 26.5537 43.1362 26.5533 -87.8228 GPRESSURE: 3358800 -248.131 33.5093 50.5273 120.995 23.6723 26.4682 92.9744 22.1347 -73.7345 PRESSAVG: 3358800 -5.95926 28.7114 14.4205 28.7114 -1.10265 -15.9677 14.4205 -15.9677 -11.1805 GPRESSAVG: 3358800 -5.25348 28.4417 12.9491 27.2412 -0.550737 -14.911 12.3756 -16.7021 -12.7438 TIMING: 3358800 CPU: 9750.23, 0.00292166/step Wall: 9750.23, 0.00292166/step, 1.33195 hours remaining, 207.835938 MB of memory in use. ENERGY: 3358800 736.3118 2073.5616 1968.6340 96.4219 -205546.2737 17340.2186 0.0000 0.0000 34300.0422 -149031.0837 299.5508 -183331.1259 -148930.7168 299.9344 -129.8620 -99.3978 558613.3330 -6.0808 -6.1827 PRESSURE: 3359000 -59.5045 61.0614 -62.2152 61.0616 25.0668 -65.4152 -62.2147 -65.4155 66.0091 GPRESSURE: 3359000 -15.2426 22.1093 -116.494 150.562 60.7103 -16.3623 -1.82523 -50.091 88.4809 PRESSAVG: 3359000 -24.9137 -50.9345 27.2753 -50.9345 34.3355 -83.4716 27.2753 -83.4716 3.31276 GPRESSAVG: 3359000 -25.9232 -53.7058 27.0592 -48.8196 33.7921 -82.3691 29.8289 -82.6489 4.99141 TIMING: 3359000 CPU: 9750.81, 0.00291479/step Wall: 9750.81, 0.00291479/step, 1.32866 hours remaining, 207.835938 MB of memory in use. ENERGY: 3359000 803.2039 2097.0226 1959.5444 104.5131 -206456.0311 18070.7024 0.0000 0.0000 34416.8778 -149004.1669 300.5712 -183421.0447 -148914.4845 299.6860 10.5238 44.6496 557054.7064 4.2449 4.2868 PRESSURE: 3359200 -168.118 45.8714 -144.96 45.8723 -327.789 157.008 -144.961 157.011 -137.789 GPRESSURE: 3359200 -152.878 82.3276 -149.951 -7.69689 -288.713 97.4591 -186.494 41.6185 -99.6258 PRESSAVG: 3359200 0.0204835 12.6734 -21.3519 12.6734 -35.0357 -23.4016 -21.3519 -23.4016 36.2863 GPRESSAVG: 3359200 -0.187703 14.9354 -19.619 12.1987 -33.751 -23.1768 -23.2202 -24.0914 35.336 TIMING: 3359200 CPU: 9751.39, 0.00289164/step Wall: 9751.39, 0.00289164/step, 1.31794 hours remaining, 207.835938 MB of memory in use. ENERGY: 3359200 728.2439 2116.3915 1947.1184 119.7018 -205836.5612 17444.8548 0.0000 0.0000 34419.7846 -149060.4662 300.5965 -183480.2508 -148966.3242 300.0945 -211.2319 -180.4056 557934.7240 0.4237 0.4658 PRESSURE: 3359400 136.504 -70.3982 -22.3915 -70.3976 105.877 -5.23245 -22.39 -5.23337 115.425 GPRESSURE: 3359400 134.888 -62.4607 46.4722 -34.7639 158.362 -74.5623 -18.4857 -14.1933 143.57 PRESSAVG: 3359400 -21.2859 -7.92113 30.3217 -7.92118 8.83677 14.0352 30.3217 14.0353 23.0639 GPRESSAVG: 3359400 -21.7186 -6.30029 31.3485 -9.42937 8.42151 14.0996 29.1295 10.847 23.7797 TIMING: 3359400 CPU: 9751.97, 0.00290876/step Wall: 9751.97, 0.00290876/step, 1.32559 hours remaining, 207.835938 MB of memory in use. ENERGY: 3359400 745.6660 2121.5441 1955.5152 98.7505 -206098.2672 18014.8598 0.0000 0.0000 34186.7889 -148975.1427 298.5617 -183161.9316 -148888.0795 299.4951 119.2688 145.6066 556783.2759 3.5383 3.4942 PRESSURE: 3359600 53.307 68.6308 75.8533 68.6314 -104.61 -130.661 75.8534 -130.66 15.3996 GPRESSURE: 3359600 113.298 -16.9051 86.9781 -19.4463 -95.8595 -98.2723 176.219 -152.069 47.1138 PRESSAVG: 3359600 44.4246 2.43091 -28.0788 2.43092 -55.5603 -34.7738 -28.0789 -34.7737 30.7479 GPRESSAVG: 3359600 45.1355 0.508328 -31.2367 4.99444 -56.8307 -36.0321 -25.317 -31.0842 31.0953 TIMING: 3359600 CPU: 9752.55, 0.00290429/step Wall: 9752.55, 0.00290429/step, 1.32339 hours remaining, 207.835938 MB of memory in use. ENERGY: 3359600 788.3301 2103.1392 1977.9005 110.2564 -206410.3713 17967.7892 0.0000 0.0000 34283.7761 -149179.1797 299.4087 -183462.9558 -149075.7615 299.0454 -11.9679 21.5175 557580.0374 6.5374 6.4667 PRESSURE: 3359800 -257.271 85.1783 25.2277 85.1795 -315.891 42.7797 25.2265 42.7801 -93.1015 GPRESSURE: 3359800 -226.636 95.3525 26.237 21.096 -270.773 -34.8395 29.838 23.9606 -63.2723 PRESSAVG: 3359800 36.4688 -43.4912 -29.4305 -43.4911 -19.9778 -28.6673 -29.4306 -28.6674 -33.4968 GPRESSAVG: 3359800 36.8986 -41.5423 -26.5127 -45.506 -19.2645 -28.3369 -29.758 -29.6855 -35.0662 TIMING: 3359800 CPU: 9753.14, 0.00292643/step Wall: 9753.14, 0.00292643/step, 1.33331 hours remaining, 207.835938 MB of memory in use. ENERGY: 3359800 784.1796 2025.3934 1975.4274 99.1982 -206081.2857 17547.9539 0.0000 0.0000 34392.9504 -149256.1827 300.3622 -183649.1331 -149147.1663 299.5083 -222.0878 -186.8937 557553.5231 -5.6686 -5.8107 PRESSURE: 3360000 -266.546 -119.645 -240.13 -119.644 -89.5173 176.243 -240.13 176.242 -37.1469 GPRESSURE: 3360000 -278.158 -70.7578 -237.956 -152.161 -26.5891 151.606 -160.913 184.327 9.63737 PRESSAVG: 3360000 -16.8951 -2.30187 -36.9159 -2.30191 63.726 27.3505 -36.916 27.3506 -60.17 GPRESSAVG: 3360000 -17.468 -2.91778 -38.1773 -1.56422 65.3123 25.9735 -37.4674 27.3084 -61.3311 TIMING: 3360000 CPU: 9753.72, 0.00291606/step Wall: 9753.72, 0.00291606/step, 1.32843 hours remaining, 207.835938 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: 3360000 772.1590 2105.1691 1956.0933 122.6307 -206152.4025 17814.3241 0.0000 0.0000 34234.6221 -149147.4041 298.9795 -183382.0262 -149048.6436 299.8200 -131.0699 -98.3700 557888.1250 -4.4463 -4.4956 PRESSURE: 3360200 -20.5901 -37.0311 61.2201 -37.03 -361.655 175.507 61.2198 175.506 22.2916 GPRESSURE: 3360200 -24.9667 -76.2575 91.5097 26.6513 -287.621 132.213 85.9163 211.289 57.8414 PRESSAVG: 3360200 -8.82262 -2.48728 -6.71718 -2.48731 20.5493 -1.96632 -6.7172 -1.96643 10.169 GPRESSAVG: 3360200 -9.4808 -3.32606 -7.73534 -1.95343 18.8691 -1.76698 -7.87717 -0.404228 12.5529 TIMING: 3360200 CPU: 9754.3, 0.00289723/step Wall: 9754.3, 0.00289723/step, 1.31969 hours remaining, 207.835938 MB of memory in use. ENERGY: 3360200 717.6216 2088.5047 1979.5177 111.3915 -205922.1108 17658.2696 0.0000 0.0000 34198.0145 -149168.7912 298.6598 -183366.8057 -149069.7261 299.1220 -119.9846 -84.9155 558049.0101 7.2986 7.3137 LDB: ============= START OF LOAD BALANCING ============== 9757.77 LDB: ============== END OF LOAD BALANCING =============== 9757.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9757.77 LDB: ============= START OF LOAD BALANCING ============== 9758.06 LDB: Largest compute 4820 load 0.029243 is 24.8% of average load 0.117839 LDB: Average compute 0.001718 is 1.5% of average load 0.117839 LDB: TIME 9758.06 LOAD: AVG 0.117839 MAX 0.178458 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 9758.06 LOAD: AVG 0.117839 MAX 0.178458 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: TIME 9758.06 LOAD: AVG 0.117839 MAX 0.178458 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.395 MB LDB: ============== END OF LOAD BALANCING =============== 9758.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9758.07 PRESSURE: 3360400 -124.498 52.7353 -70.0967 52.7355 8.99891 -19.9044 -70.0975 -19.9035 -131.218 GPRESSURE: 3360400 -87.8912 -5.45519 -79.8343 120.708 27.5339 -85.4243 -73.7975 4.32635 -86.7034 PRESSAVG: 3360400 -7.22325 -3.50556 -10.9517 -3.50546 53.0769 9.95979 -10.9517 9.95976 -49.1414 GPRESSAVG: 3360400 -6.82333 -4.74553 -11.7847 -4.44522 53.4738 10.0188 -9.15425 9.84338 -49.9099 TIMING: 3360400 CPU: 9754.89, 0.00295617/step Wall: 9754.89, 0.00295617/step, 1.34637 hours remaining, 206.218750 MB of memory in use. ENERGY: 3360400 716.0645 2038.3963 1972.4938 116.2198 -206112.0127 17783.8699 0.0000 0.0000 34242.2876 -149242.6808 299.0464 -183484.9684 -149149.9902 299.0588 -82.2390 -49.0202 558156.2816 -1.0959 -1.0865 PRESSURE: 3360600 -219.687 -61.4282 101.178 -61.4279 94.8355 10.3463 101.179 10.3455 200.153 GPRESSURE: 3360600 -186.605 -47.027 134.651 -92.5537 115.007 52.5226 57.3426 23.6403 236.557 PRESSAVG: 3360600 -6.53642 -16.9455 59.9129 -16.9454 24.4971 4.4312 59.9129 4.43111 -23.8085 GPRESSAVG: 3360600 -6.79746 -14.7636 60.2685 -17.596 24.5059 6.45942 59.7318 2.53038 -23.8922 TIMING: 3360600 CPU: 9755.48, 0.00291414/step Wall: 9755.48, 0.00291414/step, 1.32707 hours remaining, 206.460938 MB of memory in use. ENERGY: 3360600 741.6201 2094.9622 1964.7527 115.6624 -206350.1016 17893.2495 0.0000 0.0000 34252.0699 -149287.7848 299.1318 -183539.8547 -149194.2182 298.9880 25.1006 54.9866 559048.2474 -1.9493 -2.0613 PRESSURE: 3360800 113.825 89.27 -10.4989 89.2702 -223.592 -24.5001 -10.4991 -24.5006 4.70849 GPRESSURE: 3360800 91.9024 91.265 -1.46061 138.901 -201.421 -19.3758 -24.5195 31.6627 102.729 PRESSAVG: 3360800 -18.1961 5.64103 65.9732 5.64109 -8.5594 -50.4605 65.9733 -50.4604 30.46 GPRESSAVG: 3360800 -18.5328 3.01922 67.0742 6.87485 -9.0191 -50.2102 62.3647 -49.8067 31.5185 TIMING: 3360800 CPU: 9756.06, 0.00289831/step Wall: 9756.06, 0.00289831/step, 1.3197 hours remaining, 206.460938 MB of memory in use. ENERGY: 3360800 744.7143 2049.2478 1973.8010 110.0757 -206311.3755 17892.8835 0.0000 0.0000 34298.9095 -149241.7435 299.5409 -183540.6531 -149142.9307 298.4727 -35.0195 -2.2631 557767.0432 1.2348 1.3222 PRESSURE: 3361000 -5.39942 -50.054 115.548 -50.054 -225.242 -34.9124 115.546 -34.9121 -41.6425 GPRESSURE: 3361000 -17.2211 -158.857 121.931 -42.4521 -228.433 -9.24178 46.8556 -108.771 75.1053 PRESSAVG: 3361000 -0.79588 -18.2425 4.74434 -18.2424 -5.44 6.20922 4.74436 6.20927 4.76064 GPRESSAVG: 3361000 -1.82227 -17.9553 4.20714 -20.0193 -4.9988 5.10378 8.09506 5.90845 4.68389 TIMING: 3361000 CPU: 9756.64, 0.00290948/step Wall: 9756.64, 0.00290948/step, 1.32462 hours remaining, 206.460938 MB of memory in use. ENERGY: 3361000 745.2393 2065.9041 1982.1307 118.3509 -206382.1666 17815.6475 0.0000 0.0000 34307.8668 -149347.0273 299.6191 -183654.8941 -149247.9321 299.2016 -90.7611 -56.8494 556496.9683 -0.4917 -0.7124 PRESSURE: 3361200 -36.7635 37.8115 7.89625 37.8098 -189.361 -171.517 7.89668 -171.518 88.8579 GPRESSURE: 3361200 6.51795 -12.9582 15.1837 67.4297 -141.065 -128.428 15.4976 -177.879 100.303 PRESSAVG: 3361200 31.7004 40.1637 24.5152 40.1637 -17.619 -35.1132 24.5152 -35.1132 22.2128 GPRESSAVG: 3361200 33.1508 43.6207 22.3322 40.947 -17.9409 -35.5066 25.8606 -34.6559 20.7389 TIMING: 3361200 CPU: 9757.22, 0.00289999/step Wall: 9757.22, 0.00289999/step, 1.32014 hours remaining, 206.460938 MB of memory in use. ENERGY: 3361200 754.6250 2143.2279 1936.6246 108.4173 -206137.3123 17817.7107 0.0000 0.0000 34120.0096 -149256.6971 297.9785 -183376.7067 -149161.7762 299.3878 -45.7555 -11.4145 556858.4118 12.0981 11.9829 PRESSURE: 3361400 138.829 -37.6943 -54.7581 -37.6938 67.7027 -67.2011 -54.7583 -67.202 224.025 GPRESSURE: 3361400 181.281 -108.079 -117.706 79.2015 72.4288 -129.381 12.8651 29.4751 275.36 PRESSAVG: 3361400 -26.0109 -35.0912 1.74267 -35.0912 -25.0562 -45.0961 1.74267 -45.096 5.46224 GPRESSAVG: 3361400 -26.6026 -37.3533 2.52189 -34.4095 -25.6559 -43.6855 0.0861184 -45.688 6.80022 TIMING: 3361400 CPU: 9757.79, 0.00288259/step Wall: 9757.79, 0.00288259/step, 1.31206 hours remaining, 206.687500 MB of memory in use. ENERGY: 3361400 762.4051 2117.3268 1948.2733 105.8201 -206615.4440 18161.8964 0.0000 0.0000 34260.2113 -149259.5110 299.2029 -183519.7222 -149163.1196 298.9783 143.5191 176.3566 557459.0795 -15.2016 -15.1528 PRESSURE: 3361600 -119.672 -95.6301 145.742 -95.6294 -181.884 37.6641 145.741 37.6642 -81.5504 GPRESSURE: 3361600 -135.159 -125.881 234.062 -60.4569 -124.869 -58.195 35.355 145.9 -26.8404 PRESSAVG: 3361600 48.5807 59.4894 22.7276 59.4894 -23.4958 -7.87926 22.7276 -7.87924 -25.5621 GPRESSAVG: 3361600 48.0465 59.3684 23.8197 60.2746 -22.5834 -10.7506 22.6877 -7.1482 -25.727 TIMING: 3361600 CPU: 9758.37, 0.00289665/step Wall: 9758.37, 0.00289665/step, 1.3183 hours remaining, 206.687500 MB of memory in use. ENERGY: 3361600 741.8641 2101.3745 1999.7578 121.1029 -206385.5205 17844.4432 0.0000 0.0000 34350.1359 -149226.8421 299.9883 -183576.9780 -149121.4147 299.3820 -127.7018 -95.6229 559457.6047 -0.1591 -0.0880 PRESSURE: 3361800 -292.663 -109.558 117.754 -109.559 -125.706 18.2879 117.753 18.289 -37.006 GPRESSURE: 3361800 -252.871 -126.801 85.5283 -67.2174 -156.303 93.9346 15.891 47.6357 49.1065 PRESSAVG: 3361800 60.798 20.7538 -8.67386 20.7537 -9.82678 25.9883 -8.67383 25.9885 -55.3502 GPRESSAVG: 3361800 61.8064 20.8619 -8.82187 20.4356 -9.90483 27.8478 -8.85235 25.8144 -55.9348 TIMING: 3361800 CPU: 9758.95, 0.00289086/step Wall: 9758.95, 0.00289086/step, 1.3155 hours remaining, 206.949219 MB of memory in use. ENERGY: 3361800 719.0804 2061.1056 1998.9175 112.1129 -206141.0334 17591.3642 0.0000 0.0000 34280.7696 -149377.6832 299.3825 -183658.4528 -149282.3415 298.3984 -151.7918 -120.0225 557928.3949 -1.4597 -1.3444 PRESSURE: 3362000 81.131 -73.5045 -66.6706 -73.5055 10.7692 -24.6932 -66.6716 -24.6935 -80.4851 GPRESSURE: 3362000 89.3216 -65.2295 -60.4576 2.57758 88.7653 -15.8698 -122.273 52.1588 -68.8544 PRESSAVG: 3362000 32.5019 -13.7069 -18.6152 -13.7069 -27.8812 -16.0374 -18.6151 -16.0375 1.59702 GPRESSAVG: 3362000 32.3441 -14.1644 -18.6007 -13.3557 -28.516 -15.1967 -20.8692 -17.51 2.17635 TIMING: 3362000 CPU: 9759.53, 0.00289187/step Wall: 9759.53, 0.00289187/step, 1.3158 hours remaining, 206.949219 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: 3362000 738.3439 2094.4342 1982.9760 104.6042 -206292.5292 17822.7757 0.0000 0.0000 34289.7809 -149259.6142 299.4612 -183549.3951 -149162.2744 299.3007 3.8050 36.4108 558265.6785 2.0726 2.0015 PRESSURE: 3362200 49.4814 -47.3684 6.00617 -47.37 16.4723 -29.8048 6.00724 -29.8043 37.0332 GPRESSURE: 3362200 113.978 -10.7627 32.142 -12.3885 46.2527 -43.3139 5.90422 -10.7303 54.3775 PRESSAVG: 3362200 2.89244 -11.6546 31.083 -11.6547 -12.7752 -60.5303 31.083 -60.5304 7.37121 GPRESSAVG: 3362200 4.26079 -10.482 30.1925 -11.6835 -12.3778 -62.1739 31.966 -60.4628 5.62627 TIMING: 3362200 CPU: 9760.11, 0.00290959/step Wall: 9760.11, 0.00290959/step, 1.3237 hours remaining, 206.949219 MB of memory in use. ENERGY: 3362200 724.9753 2067.5749 1963.5415 109.2186 -206116.5666 17805.6932 0.0000 0.0000 34299.2445 -149146.3187 299.5438 -183445.5632 -149045.9485 299.1176 34.3290 71.5360 556405.5259 -0.8372 -0.8303 PRESSURE: 3362400 -226.92 8.71404 100.837 8.71398 199.039 -120.23 100.839 -120.229 -218.858 GPRESSURE: 3362400 -178.2 16.6716 28.1407 26.5006 225.63 -58.8311 160.078 -101.985 -197.285 PRESSAVG: 3362400 -23.1209 -26.976 -18.1225 -26.9761 8.88958 7.67939 -18.1225 7.67945 34.6628 GPRESSAVG: 3362400 -24.5485 -27.1987 -18.17 -26.7503 9.7083 11.0524 -17.8594 8.46602 35.7772 TIMING: 3362400 CPU: 9760.69, 0.00290435/step Wall: 9760.69, 0.00290435/step, 1.32115 hours remaining, 206.949219 MB of memory in use. ENERGY: 3362400 757.4410 2137.7300 1928.9474 102.6649 -206060.5132 17818.3620 0.0000 0.0000 34211.7597 -149103.6084 298.7798 -183315.3680 -149009.9701 299.1897 -82.2461 -49.9514 558951.2045 6.8105 6.9790 PRESSURE: 3362600 -137.896 23.6107 25.5818 23.6125 -201.785 -203.208 25.5827 -203.207 34.2419 GPRESSURE: 3362600 -154.593 -16.8487 41.9132 44.6883 -147.212 -296.624 68.0166 -128.498 94.29 PRESSAVG: 3362600 13.2864 12.3671 -25.9812 12.3671 -1.01702 -34.2703 -25.9813 -34.2703 9.80757 GPRESSAVG: 3362600 14.9472 11.4498 -25.6717 12.08 -1.16198 -36.3898 -26.6755 -35.2761 8.5084 TIMING: 3362600 CPU: 9761.27, 0.00290149/step Wall: 9761.27, 0.00290149/step, 1.3197 hours remaining, 206.949219 MB of memory in use. ENERGY: 3362600 734.8598 2087.0620 1944.5899 112.6532 -206013.1354 17679.9500 0.0000 0.0000 34344.5298 -149109.4907 299.9393 -183454.0205 -149008.9694 299.1608 -101.8129 -69.1717 558492.9617 7.3590 7.4312 PRESSURE: 3362800 -111.266 108.169 -127.369 108.169 -4.46182 -100.797 -127.368 -100.797 -86.1431 GPRESSURE: 3362800 -52.1781 161.962 -170.861 81.8363 -8.42641 -70.5884 -106.243 -45.7575 -46.2798 PRESSAVG: 3362800 29.9096 -36.4282 -27.571 -36.4282 -35.0581 -15.6407 -27.5711 -15.6406 -20.5491 GPRESSAVG: 3362800 28.784 -36.9511 -28.0679 -35.6103 -35.9174 -15.4886 -27.6092 -16.6539 -19.2938 TIMING: 3362800 CPU: 9761.86, 0.00291531/step Wall: 9761.86, 0.00291531/step, 1.32582 hours remaining, 206.949219 MB of memory in use. ENERGY: 3362800 732.0839 2126.0413 1977.5082 127.1718 -205871.7596 17663.2212 0.0000 0.0000 34211.1249 -149034.6083 298.7743 -183245.7332 -148942.8029 299.6429 -67.2902 -35.6281 558755.8362 -8.5659 -8.8091 PRESSURE: 3363000 -255.634 -50.3376 -94.5586 -50.338 -167.571 50.9609 -94.5596 50.9619 -272.9 GPRESSURE: 3363000 -208.882 -94.876 22.7596 -50.6524 -129.754 84.2186 -209.994 33.5801 -262.424 PRESSAVG: 3363000 0.359665 -12.3318 -56.8397 -12.3318 28.7252 -30.8882 -56.8397 -30.8882 -30.9496 GPRESSAVG: 3363000 0.590347 -11.8318 -56.1567 -13.7061 28.5421 -31.6578 -56.4861 -29.7912 -31.5228 TIMING: 3363000 CPU: 9762.44, 0.00290125/step Wall: 9762.44, 0.00290125/step, 1.31926 hours remaining, 206.949219 MB of memory in use. ENERGY: 3363000 774.0899 2077.1539 1950.1871 109.2480 -205696.4003 17484.0123 0.0000 0.0000 34225.7522 -149075.9568 298.9020 -183301.7091 -148987.2000 299.2879 -232.0351 -200.3535 557767.7081 -0.6216 -0.7968 PRESSURE: 3363200 172.569 -128.707 64.3088 -128.707 -183.107 31.1488 64.3079 31.1477 -31.0718 GPRESSURE: 3363200 211.198 -174.021 84.2948 -100.505 -151.205 22.1551 106.626 111.688 -10.3904 PRESSAVG: 3363200 -29.2461 4.89436 -7.06393 4.89421 73.6222 24.1865 -7.06401 24.1865 -14.382 GPRESSAVG: 3363200 -28.4557 4.77861 -6.75354 4.54727 74.8006 23.5936 -5.72874 26.4793 -16.4968 TIMING: 3363200 CPU: 9763.02, 0.0028929/step Wall: 9763.02, 0.0028929/step, 1.3153 hours remaining, 206.949219 MB of memory in use. ENERGY: 3363200 768.0827 2064.0709 1940.8508 115.2767 -205975.2486 17656.4814 0.0000 0.0000 34407.3879 -149023.0981 300.4883 -183430.4860 -148923.4019 299.7168 -13.8701 16.5342 556816.6825 9.9980 9.9494 PRESSURE: 3363400 -153.69 -13.2857 145.675 -13.2867 45.5543 126.608 145.676 126.608 139.849 GPRESSURE: 3363400 -115.643 -66.366 84.4462 79.025 110.205 156.734 104.932 37.2892 132.291 PRESSAVG: 3363400 -37.7133 23.7565 31.7675 23.7564 -4.21107 -32.9923 31.7676 -32.9925 -6.06444 GPRESSAVG: 3363400 -38.5128 23.1196 32.3917 22.9908 -4.35241 -30.2975 29.6695 -35.9202 -5.24175 TIMING: 3363400 CPU: 9763.59, 0.00288166/step Wall: 9763.59, 0.00288166/step, 1.31003 hours remaining, 206.949219 MB of memory in use. ENERGY: 3363400 721.5300 2091.8145 1948.0902 105.0451 -205879.1210 17746.4510 0.0000 0.0000 34359.5252 -148906.6650 300.0703 -183266.1902 -148809.3433 300.4277 10.5713 42.2840 557453.8991 -15.9963 -16.0356 PRESSURE: 3363600 -322.841 -146.129 112.306 -146.13 120.614 -103.491 112.306 -103.488 -11.8874 GPRESSURE: 3363600 -277.911 -223.551 80.7505 -24.085 148.353 -33.6932 132.049 -174.936 11.5947 PRESSAVG: 3363600 -0.596502 -42.1281 60.1962 -42.1281 19.6492 24.2103 60.1962 24.2103 -40.462 GPRESSAVG: 3363600 -0.730728 -41.784 59.1358 -41.4242 17.7813 21.1613 62.9169 26.3456 -38.2206 TIMING: 3363600 CPU: 9764.17, 0.00289356/step Wall: 9764.17, 0.00289356/step, 1.31529 hours remaining, 206.949219 MB of memory in use. ENERGY: 3363600 769.4196 2125.3722 1941.9481 109.1759 -206015.9553 17793.4233 0.0000 0.0000 34334.5422 -148942.0740 299.8521 -183276.6162 -148851.8216 300.4141 -71.3714 -39.3213 557149.8252 -7.1364 -7.0567 PRESSURE: 3363800 179.72 -39.3049 -109.132 -39.303 157.495 -33.7708 -109.132 -33.7715 26.9059 GPRESSURE: 3363800 220.886 -58.4192 -95.4172 -82.2983 179.534 53.6217 -152.104 -135.139 52.1464 PRESSAVG: 3363800 -39.3807 -20.1334 -4.24593 -20.1333 33.8326 -56.9329 -4.24598 -56.9328 -15.0937 GPRESSAVG: 3363800 -38.1226 -21.1363 -3.76678 -20.1506 34.2586 -53.2671 -8.54222 -58.4582 -16.9468 TIMING: 3363800 CPU: 9764.75, 0.00288715/step Wall: 9764.75, 0.00288715/step, 1.31221 hours remaining, 206.949219 MB of memory in use. ENERGY: 3363800 767.6134 2132.0821 1936.7541 127.6357 -206046.9320 17823.3893 0.0000 0.0000 34093.7055 -149165.7519 297.7488 -183259.4574 -149078.8929 299.8358 121.3737 150.8556 557275.6153 -6.8806 -6.9370 PRESSURE: 3364000 12.3355 -31.8342 155.422 -31.8326 -343.361 47.6202 155.422 47.6188 -257.566 GPRESSURE: 3364000 40.923 45.4807 57.9116 -128.412 -295.89 29.5584 136.25 89.38 -241.139 PRESSAVG: 3364000 0.814784 29.8604 35.4174 29.8603 -0.0439313 48.3083 35.4174 48.3084 -9.23971 GPRESSAVG: 3364000 0.467199 31.3724 33.4842 28.7872 0.661827 44.8332 38.8766 48.009 -9.27501 TIMING: 3364000 CPU: 9765.32, 0.00287103/step Wall: 9765.32, 0.00287103/step, 1.30472 hours remaining, 206.949219 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: 3364000 746.3420 2107.6243 1969.1152 106.3623 -205669.3799 17417.9784 0.0000 0.0000 34340.6710 -148981.2868 299.9056 -183321.9578 -148881.6213 298.5976 -196.1972 -165.3686 558012.7531 -2.8230 -2.7153 PRESSURE: 3364200 4.29893 138.07 135.823 138.07 -20.31 76.3335 135.822 76.334 34.6638 GPRESSURE: 3364200 46.548 143.653 189.834 107.237 36.9626 102.754 210.058 34.0724 39.914 PRESSAVG: 3364200 23.9693 -21.0827 70.8164 -21.0827 44.1735 57.9733 70.8163 57.9733 -31.2642 GPRESSAVG: 3364200 23.4737 -21.1154 72.5796 -19.2308 44.6266 60.268 72.1809 58.6507 -30.7254 TIMING: 3364200 CPU: 9765.9, 0.00288443/step Wall: 9765.9, 0.00288443/step, 1.31065 hours remaining, 206.949219 MB of memory in use. ENERGY: 3364200 781.3185 2117.3211 1990.0782 116.9069 -206102.5948 17866.8710 0.0000 0.0000 34172.8282 -149057.2708 298.4398 -183230.0990 -148964.8874 299.9894 6.2176 41.1415 556175.1264 12.2929 12.4583 LDB: ============= START OF LOAD BALANCING ============== 9769.36 LDB: ============== END OF LOAD BALANCING =============== 9769.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9769.37 LDB: ============= START OF LOAD BALANCING ============== 9769.66 LDB: Largest compute 4820 load 0.029145 is 24.7% of average load 0.117884 LDB: Average compute 0.001714 is 1.5% of average load 0.117884 LDB: TIME 9769.66 LOAD: AVG 0.117884 MAX 0.177808 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.645 MB LDB: TIME 9769.66 LOAD: AVG 0.117884 MAX 0.177808 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.852 MB LDB: TIME 9769.66 LOAD: AVG 0.117884 MAX 0.177808 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9769.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9769.66 PRESSURE: 3364400 -199.345 200.203 -91.6884 200.203 -141.144 -142.739 -91.6877 -142.738 -313.724 GPRESSURE: 3364400 -145.644 230.147 10.7368 106.869 -83.9707 -110.86 -67.3711 -165.786 -336.119 PRESSAVG: 3364400 -16.2267 64.2683 -4.08109 64.2682 43.095 44.924 -4.08116 44.924 -22.6153 GPRESSAVG: 3364400 -15.5477 63.2932 -4.18353 63.1674 42.5902 44.2531 -5.24329 44.0472 -22.6941 TIMING: 3364400 CPU: 9766.49, 0.00295398/step Wall: 9766.49, 0.00295398/step, 1.34209 hours remaining, 207.171875 MB of memory in use. ENERGY: 3364400 752.4430 2066.4295 1933.3520 114.7317 -205986.4294 17493.9740 0.0000 0.0000 34315.4484 -149310.0508 299.6853 -183625.4992 -149213.3040 299.1116 -218.0709 -188.5782 557700.6258 1.4176 1.4495 PRESSURE: 3364600 20.3412 117.39 -189.793 117.391 150.897 -105.197 -189.794 -105.197 114.907 GPRESSURE: 3364600 37.6055 68.9183 -172.524 25.4924 173.771 -38.0888 -244.074 -84.4429 171.303 PRESSAVG: 3364600 -51.3871 18.2331 10.9762 18.2331 76.614 37.3062 10.9763 37.3063 -75.0578 GPRESSAVG: 3364600 -50.5029 17.2525 10.5364 19.6684 76.1626 38.1264 10.7596 39.1071 -75.5432 TIMING: 3364600 CPU: 9767.07, 0.00289892/step Wall: 9767.07, 0.00289892/step, 1.31691 hours remaining, 207.761719 MB of memory in use. ENERGY: 3364600 735.6380 2111.9252 1944.1163 108.0902 -206607.9700 17896.8387 0.0000 0.0000 34552.0012 -149259.3605 301.7512 -183811.3617 -149161.3843 299.6095 95.3816 127.5597 557050.2993 -16.6103 -16.6279 PRESSURE: 3364800 -78.914 2.31724 105.992 2.31745 14.3768 11.6074 105.99 11.6084 97.4911 GPRESSURE: 3364800 -40.1418 -35.0245 140.727 55.2371 7.1689 32.1259 103.272 -6.06672 156.978 PRESSAVG: 3364800 20.1308 33.4495 7.38155 33.4494 -35.5174 83.4976 7.38165 83.4976 37.2219 GPRESSAVG: 3364800 19.7806 33.9758 7.20237 34.1314 -35.5201 84.5028 7.64302 81.9274 38.0871 TIMING: 3364800 CPU: 9767.65, 0.00288476/step Wall: 9767.65, 0.00288476/step, 1.31032 hours remaining, 207.761719 MB of memory in use. ENERGY: 3364800 753.4069 2077.6105 1948.7135 106.6834 -206218.7349 17801.8739 0.0000 0.0000 34385.1305 -149145.3161 300.2939 -183530.4466 -149056.1177 300.4214 10.9847 41.3350 556363.9008 7.2784 7.4492 PRESSURE: 3365000 -3.68361 12.2708 49.2393 12.2708 69.5494 -8.90982 49.2377 -8.90899 271.521 GPRESSURE: 3365000 37.618 -42.0354 84.868 13.4975 77.8209 24.5219 2.59045 -56.9427 315.552 PRESSAVG: 3365000 -56.6235 0.955706 10.5434 0.955677 14.4641 -26.461 10.5435 -26.461 101.874 GPRESSAVG: 3365000 -57.3012 -0.274474 11.1511 1.8842 15.2261 -29.2289 9.16875 -25.4271 101.247 TIMING: 3365000 CPU: 9768.23, 0.0029119/step Wall: 9768.23, 0.0029119/step, 1.32249 hours remaining, 207.761719 MB of memory in use. ENERGY: 3365000 714.6901 2085.3861 1967.9296 123.3113 -206408.4472 17946.5268 0.0000 0.0000 34421.0934 -149149.5099 300.6080 -183570.6033 -149058.0901 299.0694 112.4622 143.6635 556818.2821 19.9049 19.7239 PRESSURE: 3365200 3.62341 65.606 115.59 65.6061 66.8482 16.5069 115.589 16.5062 309.998 GPRESSURE: 3365200 15.9394 61.7451 163.815 80.9897 110.799 -8.56981 -10.8461 88.6313 348.973 PRESSAVG: 3365200 -41.3172 -7.4914 9.46309 -7.49135 15.1028 -5.5196 9.46307 -5.51965 31.2461 GPRESSAVG: 3365200 -41.5073 -5.43881 8.5477 -8.80796 15.1676 -3.4343 9.54166 -7.01938 31.0607 TIMING: 3365200 CPU: 9768.81, 0.00290675/step Wall: 9768.81, 0.00290675/step, 1.31999 hours remaining, 207.761719 MB of memory in use. ENERGY: 3365200 693.4495 2121.5838 1963.6443 102.5378 -206352.5908 17880.8100 0.0000 0.0000 34330.2053 -149260.3601 299.8142 -183590.5655 -149167.7512 299.4670 126.8234 158.5706 556159.8958 1.6773 1.5737 PRESSURE: 3365400 -75.4841 -132.214 224.491 -132.214 -5.99536 -43.956 224.491 -43.9555 466.828 GPRESSURE: 3365400 -49.2091 -164.639 310.534 -122.663 26.6869 -26.6885 167.699 38.1863 498.951 PRESSAVG: 3365400 -51.3364 -82.2988 49.888 -82.2988 -13.8332 -31.7496 49.8879 -31.7496 50.5208 GPRESSAVG: 3365400 -51.6004 -84.244 50.9839 -81.291 -14.6835 -34.0623 49.804 -30.4068 51.3191 TIMING: 3365400 CPU: 9769.39, 0.00291031/step Wall: 9769.39, 0.00291031/step, 1.32144 hours remaining, 207.761719 MB of memory in use. ENERGY: 3365400 701.9826 2166.4945 1948.3539 112.9632 -206509.9077 17960.7071 0.0000 0.0000 34292.9765 -149326.4299 299.4891 -183619.4064 -149228.8672 299.6301 128.4494 158.8096 556771.6745 -4.8829 -4.9883 PRESSURE: 3365600 39.8603 -5.74811 -280.616 -5.74886 293.064 -38.371 -280.616 -38.3724 214.161 GPRESSURE: 3365600 92.421 -97.6315 -329.305 -33.8979 340.939 -22.5331 -176.287 3.8479 228.123 PRESSAVG: 3365600 -36.4557 -87.9084 1.44818 -87.9085 45.5865 -35.3484 1.44813 -35.3485 23.6866 GPRESSAVG: 3365600 -36.6404 -87.3914 -0.20626 -87.9 45.7802 -32.9505 2.7069 -37.2752 23.5529 TIMING: 3365600 CPU: 9769.97, 0.00289959/step Wall: 9769.97, 0.00289959/step, 1.31641 hours remaining, 207.761719 MB of memory in use. ENERGY: 3365600 741.4494 2172.1860 1949.6168 117.2623 -206776.3227 18214.1629 0.0000 0.0000 34315.6198 -149266.0254 299.6868 -183581.6453 -149179.7238 299.0075 182.3616 220.4945 557177.0523 10.9391 10.8976 PRESSURE: 3365800 -145.956 -99.8897 10.6634 -99.8888 -236.623 -169.08 10.6631 -169.08 54.3744 GPRESSURE: 3365800 -92.2855 -145.009 62.3575 -95.1074 -212.905 -195.321 7.14031 -197.249 66.6507 PRESSAVG: 3365800 6.92501 6.39078 -7.51655 6.39078 -52.0112 -42.6475 -7.51661 -42.6476 44.2667 GPRESSAVG: 3365800 8.03022 5.98189 -8.18211 4.86733 -52.3147 -43.7125 -7.73133 -43.0545 43.5285 TIMING: 3365800 CPU: 9770.56, 0.00291588/step Wall: 9770.56, 0.00291588/step, 1.32365 hours remaining, 207.761719 MB of memory in use. ENERGY: 3365800 755.6374 2105.6403 1974.1394 106.1774 -206116.4827 17868.1319 0.0000 0.0000 34141.4241 -149165.3322 298.1655 -183306.7564 -149061.6333 299.1855 -109.4015 -79.5133 558953.3039 -0.2732 -0.2520 PRESSURE: 3366000 -76.6732 61.9022 -138.124 61.9022 -7.1998 31.2478 -138.125 31.2469 -189.057 GPRESSURE: 3366000 -6.55851 36.0517 -0.667546 70.2626 16.3391 85.6387 -95.8876 -42.6486 -181.011 PRESSAVG: 3366000 -0.87161 13.2532 23.2143 13.2533 -51.3502 -7.51738 23.2144 -7.51736 62.7411 GPRESSAVG: 3366000 -4.0205 14.1561 24.9944 13.1643 -50.135 -7.60306 22.3026 -6.77645 64.5938 TIMING: 3366000 CPU: 9771.14, 0.0029108/step Wall: 9771.14, 0.0029108/step, 1.32118 hours remaining, 207.761719 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: 3366000 740.0643 2115.8576 1959.3586 106.8417 -205975.9110 17554.8996 0.0000 0.0000 34198.3003 -149300.5890 298.6623 -183498.8893 -149205.8910 299.0045 -90.9767 -57.0769 556512.6271 3.5064 3.4794 PRESSURE: 3366200 -253.491 45.1611 -61.3411 45.1604 -152.143 -15.5003 -61.3405 -15.5007 33.567 GPRESSURE: 3366200 -246.237 31.4594 -86.4562 6.76318 -154.568 -23.6136 -13.7517 22.8922 121.526 PRESSAVG: 3366200 18.6448 27.3489 20.0483 27.3489 33.9391 2.92793 20.0482 2.92787 -41.2304 GPRESSAVG: 3366200 20.1592 26.3449 18.9596 26.3172 33.0598 3.14758 19.1439 3.00728 -41.1931 TIMING: 3366200 CPU: 9771.72, 0.00290287/step Wall: 9771.72, 0.00290287/step, 1.31742 hours remaining, 207.812500 MB of memory in use. ENERGY: 3366200 713.9552 2078.9596 1948.6814 124.9451 -206100.1569 17530.4593 0.0000 0.0000 34238.8429 -149464.3134 299.0163 -183703.1563 -149359.2251 298.6568 -124.0223 -93.0929 557476.8165 3.7845 4.0086 PRESSURE: 3366400 151.448 228.834 50.426 228.834 -5.37792 147.037 50.4261 147.034 -236.841 GPRESSURE: 3366400 148.955 236.395 -27.9043 209.791 -1.52532 55.4192 128.077 187.462 -138.003 PRESSAVG: 3366400 22.2333 8.95052 17.8983 8.95059 -35.6871 -19.3041 17.8984 -19.3041 1.57137 GPRESSAVG: 3366400 21.6229 11.2106 17.5017 9.5614 -35.4067 -17.8486 19.0808 -20.257 1.30855 TIMING: 3366400 CPU: 9772.3, 0.00290635/step Wall: 9772.3, 0.00290635/step, 1.31884 hours remaining, 207.812500 MB of memory in use. ENERGY: 3366400 717.6860 2100.8091 1968.9069 107.3225 -206300.2843 17782.8185 0.0000 0.0000 34226.8775 -149395.8637 298.9118 -183622.7412 -149305.8000 298.1185 -30.2571 3.1423 556297.1702 -3.9608 -4.1584 PRESSURE: 3366600 38.6328 107.737 -9.10968 107.738 -68.1943 185.825 -9.11011 185.825 30.5942 GPRESSURE: 3366600 34.518 112.011 93.4343 41.8187 -54.6765 192.183 8.73923 192.361 106.877 PRESSAVG: 3366600 -8.59999 0.0725381 9.68142 0.072431 -45.5879 24.9082 9.68148 24.9082 72.0672 GPRESSAVG: 3366600 -7.73832 -1.63912 12.1095 -0.618992 -46.0608 22.3751 7.73221 26.7049 71.7576 TIMING: 3366600 CPU: 9772.88, 0.00290397/step Wall: 9772.88, 0.00290397/step, 1.3176 hours remaining, 207.812500 MB of memory in use. ENERGY: 3366600 697.6823 2033.9851 1999.8526 111.7831 -206030.0735 17634.3982 0.0000 0.0000 34295.2781 -149257.0942 299.5092 -183552.3723 -149161.0588 299.2897 0.3442 28.9062 556671.7361 5.9598 5.9861 PRESSURE: 3366800 -94.1076 -29.8036 -171.741 -29.8038 105.147 29.2644 -171.742 29.2661 -89.6382 GPRESSURE: 3366800 -79.4823 0.436938 -195.55 -95.8132 184.859 19.7373 -157.024 33.981 -86.2749 PRESSAVG: 3366800 -5.91983 22.6499 15.1621 22.6499 15.6257 55.0154 15.1621 55.0152 -0.472343 GPRESSAVG: 3366800 -4.61712 20.952 12.8885 24.6031 15.8801 56.7334 16.8383 54.5756 -1.90918 TIMING: 3366800 CPU: 9773.46, 0.00289829/step Wall: 9773.46, 0.00289829/step, 1.31486 hours remaining, 207.812500 MB of memory in use. ENERGY: 3366800 750.1692 2051.6291 1946.6475 115.1677 -206141.2907 17933.3285 0.0000 0.0000 34170.6000 -149173.7486 298.4203 -183344.3486 -149083.7456 299.4355 -26.1997 6.3672 558837.8809 3.0778 3.1179 PRESSURE: 3367000 -85.7589 81.0754 117.181 81.0758 -5.91928 -99.2766 117.181 -99.2765 -386.546 GPRESSURE: 3367000 -79.534 28.4207 139.921 24.0819 42.3002 -78.457 85.4664 -131.351 -345.925 PRESSAVG: 3367000 17.1593 -36.9415 48.5845 -36.9414 -20.8858 -16.2147 48.5844 -16.2145 12.7387 GPRESSAVG: 3367000 15.9685 -35.9434 45.6431 -37.9103 -21.3597 -17.7208 49.0779 -14.4104 14.3122 TIMING: 3367000 CPU: 9774.04, 0.00289831/step Wall: 9774.04, 0.00289831/step, 1.31471 hours remaining, 207.812500 MB of memory in use. ENERGY: 3367000 770.2155 2035.1416 1990.7716 116.6003 -205643.6589 17542.7365 0.0000 0.0000 34156.9816 -149031.2117 298.3014 -183188.1933 -148939.1112 299.5266 -159.4081 -127.7197 557906.8235 3.0041 2.9737 PRESSURE: 3367200 121.341 -103.665 43.8187 -103.667 66.4173 -82.2485 43.8185 -82.2504 87.6504 GPRESSURE: 3367200 200.412 -97.3373 90.7536 -63.652 29.8042 -84.0793 1.4626 -70.6914 144.665 PRESSAVG: 3367200 39.68 17.9422 44.4475 17.9423 -53.4735 -1.55831 44.4475 -1.5582 8.42226 GPRESSAVG: 3367200 39.9473 19.0197 46.9103 18.1599 -53.2646 -1.68475 42.6023 -3.04925 7.57384 TIMING: 3367200 CPU: 9774.62, 0.00291374/step Wall: 9774.62, 0.00291373/step, 1.32154 hours remaining, 207.812500 MB of memory in use. ENERGY: 3367200 742.2651 2052.5539 1966.9036 98.7504 -206347.4658 18048.9665 0.0000 0.0000 34408.9257 -149029.1006 300.5017 -183438.0264 -148926.8860 299.3717 91.8028 124.9604 557337.9559 -1.7904 -1.9145 PRESSURE: 3367400 181.053 31.2315 -43.4655 31.2324 4.36559 74.058 -43.4652 74.059 -39.4556 GPRESSURE: 3367400 197.058 -38.2594 -60.8192 175.757 10.7741 110.528 -2.16832 115.369 30.4243 PRESSAVG: 3367400 87.8639 19.2144 27.2924 19.2145 8.19604 68.9115 27.2924 68.9116 -52.6419 GPRESSAVG: 3367400 87.4067 19.0531 29.0777 21.1471 8.26796 70.0896 26.6628 69.0559 -52.1417 TIMING: 3367400 CPU: 9775.21, 0.00293342/step Wall: 9775.21, 0.00293342/step, 1.33031 hours remaining, 207.812500 MB of memory in use. ENERGY: 3367400 753.5005 2125.9216 1958.7156 123.5046 -205968.6960 17855.6447 0.0000 0.0000 34246.4349 -148904.9742 299.0826 -183151.4091 -148810.7464 300.0512 48.6544 79.4187 558297.3165 14.4727 14.5110 PRESSURE: 3367600 90.4609 -58.9686 -112.997 -58.9688 -175.986 -152.27 -112.997 -152.269 -220.741 GPRESSURE: 3367600 162.678 42.0859 -103.044 -92.5954 -174.188 -137.026 -165.912 -176.461 -203.307 PRESSAVG: 3367600 39.7952 -11.1595 57.8425 -11.1596 -12.3826 49.6936 57.8424 49.6936 -19.5604 GPRESSAVG: 3367600 39.181 -10.7884 55.1411 -13.6711 -11.4266 50.2739 59.7494 48.3741 -20.0827 TIMING: 3367600 CPU: 9775.79, 0.00289543/step Wall: 9775.79, 0.00289543/step, 1.31291 hours remaining, 207.812500 MB of memory in use. ENERGY: 3367600 718.3248 2145.0027 1967.6585 115.7763 -205716.9611 17459.0675 0.0000 0.0000 34410.0555 -148901.0759 300.5116 -183311.1313 -148797.4362 300.2712 -102.0887 -71.6059 557832.4104 2.6174 2.5572 PRESSURE: 3367800 -139.338 -37.9248 -45.1739 -37.9253 -136.223 42.9548 -45.1743 42.9574 -458.276 GPRESSURE: 3367800 -149.631 -33.258 -15.4793 31.9117 -119.876 20.8351 -25.2628 142.361 -377.982 PRESSAVG: 3367800 28.1409 -49.8984 34.8219 -49.8985 42.9189 -49.9422 34.8218 -49.9422 -39.4446 GPRESSAVG: 3367800 28.6347 -49.9798 34.2014 -49.3372 41.5332 -50.9645 35.5025 -48.5323 -39.2233 TIMING: 3367800 CPU: 9776.37, 0.00290821/step Wall: 9776.37, 0.00290821/step, 1.31855 hours remaining, 207.812500 MB of memory in use. ENERGY: 3367800 794.5283 2095.8571 1967.3127 121.5822 -205613.1632 17429.3156 0.0000 0.0000 34132.3720 -149072.1954 298.0865 -183204.5674 -148972.2630 300.2345 -244.6124 -215.8298 557240.8073 10.5384 10.3149 PRESSURE: 3368000 -73.1805 25.9668 -70.4243 25.9676 10.0892 -67.7798 -70.4238 -67.7799 -247.121 GPRESSURE: 3368000 -42.5126 12.3831 -74.1687 -1.10525 6.22402 -29.6526 -42.3013 -146.67 -184.396 PRESSAVG: 3368000 18.2883 -30.9641 24.5619 -30.9641 21.7859 -44.8557 24.5619 -44.8556 11.146 GPRESSAVG: 3368000 18.7181 -32.3552 25.2877 -30.1586 21.8376 -42.502 22.7756 -45.4671 10.8072 TIMING: 3368000 CPU: 9776.95, 0.00292372/step Wall: 9776.95, 0.00292372/step, 1.32542 hours remaining, 207.812500 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: 3368000 773.9007 2135.0349 1945.3304 111.4650 -206131.6658 17778.9077 0.0000 0.0000 34336.7127 -149050.3143 299.8711 -183387.0270 -148959.0504 299.0320 -103.4040 -73.5615 558943.2647 17.0734 17.1210 PRESSURE: 3368200 31.6371 103.001 37.3371 103.001 172.32 30.9685 37.3368 30.9678 34.5483 GPRESSURE: 3368200 45.6486 28.1281 97.5655 163.531 206.443 49.6635 39.1284 107.079 69.1672 PRESSAVG: 3368200 30.7935 14.8853 5.16271 14.8853 -30.3234 -16.747 5.16266 -16.747 -34.8518 GPRESSAVG: 3368200 30.4637 16.5712 5.54113 13.5525 -31.3261 -16.7677 4.69185 -17.4544 -33.4618 TIMING: 3368200 CPU: 9777.54, 0.00291254/step Wall: 9777.54, 0.00291254/step, 1.32019 hours remaining, 207.812500 MB of memory in use. ENERGY: 3368200 710.1471 2129.4927 1957.1011 126.1434 -206181.8182 17853.7968 0.0000 0.0000 34518.7058 -148886.4313 301.4604 -183405.1372 -148787.2570 299.7655 79.5018 107.0861 558421.2413 -11.4606 -11.4414 LDB: ============= START OF LOAD BALANCING ============== 9781 LDB: ============== END OF LOAD BALANCING =============== 9781 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9781.01 LDB: ============= START OF LOAD BALANCING ============== 9781.3 LDB: Largest compute 4820 load 0.029102 is 24.7% of average load 0.117922 LDB: Average compute 0.001723 is 1.5% of average load 0.117922 LDB: TIME 9781.3 LOAD: AVG 0.117922 MAX 0.18197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.535 MB LDB: TIME 9781.3 LOAD: AVG 0.117922 MAX 0.18197 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: TIME 9781.3 LOAD: AVG 0.117922 MAX 0.18197 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.738 MB LDB: ============== END OF LOAD BALANCING =============== 9781.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9781.31 PRESSURE: 3368400 -23.5226 -23.9784 54.0461 -23.979 -81.0544 33.1514 54.0453 33.1517 -93.848 GPRESSURE: 3368400 2.26964 -40.5319 23.4646 -36.9405 17.7844 80.6994 -51.4325 0.547602 -123.872 PRESSAVG: 3368400 -1.46312 23.5504 30.3939 23.5505 7.46792 10.5087 30.3939 10.5087 -16.9632 GPRESSAVG: 3368400 -0.014345 22.6046 29.7322 24.1364 8.78802 9.24672 32.2814 11.3761 -19.1359 TIMING: 3368400 CPU: 9778.13, 0.00296889/step Wall: 9778.13, 0.00296889/step, 1.34557 hours remaining, 206.816406 MB of memory in use. ENERGY: 3368400 726.1981 2134.8870 1963.6304 115.4660 -205621.6685 17568.2620 0.0000 0.0000 34287.9231 -148825.3019 299.4450 -183113.2250 -148738.0511 300.1261 -66.1417 -34.6061 557152.0331 -3.6528 -3.4541 PRESSURE: 3368600 375.18 65.5148 114.616 65.5152 -257.18 177.666 114.618 177.666 -25.5377 GPRESSURE: 3368600 357.407 68.2244 66.5709 -34.6284 -230.286 98.1479 192.65 190.261 62.6454 PRESSAVG: 3368600 34.0223 -12.3067 -36.9203 -12.3067 8.60003 -35.4345 -36.9203 -35.4345 9.21122 GPRESSAVG: 3368600 33.4129 -12.1813 -36.0716 -13.7244 8.3556 -34.8119 -38.561 -35.8263 9.68609 TIMING: 3368600 CPU: 9778.71, 0.00292012/step Wall: 9778.71, 0.00292012/step, 1.3233 hours remaining, 206.886719 MB of memory in use. ENERGY: 3368600 726.1692 2135.7927 1950.5603 123.7503 -205678.6920 17615.2885 0.0000 0.0000 34227.9927 -148899.1382 298.9216 -183127.1309 -148807.4850 299.8891 30.8205 63.2555 555797.1619 17.2778 17.1515 PRESSURE: 3368800 -74.9374 9.94308 31.2667 9.94245 -153.856 12.741 31.2666 12.7408 159.045 GPRESSURE: 3368800 -59.0816 38.9978 -7.96498 75.3641 -104.666 -54.7525 -13.2837 79.366 183.772 PRESSAVG: 3368800 23.0387 -20.2859 -3.60143 -20.2859 -71.3856 6.812 -3.60133 6.81202 54.9732 GPRESSAVG: 3368800 22.8969 -20.8814 -4.45374 -17.9757 -72.4486 6.48193 -5.08078 7.06257 56.0804 TIMING: 3368800 CPU: 9779.3, 0.00291547/step Wall: 9779.3, 0.00291547/step, 1.32103 hours remaining, 206.886719 MB of memory in use. ENERGY: 3368800 748.4396 2132.6428 1926.9673 118.2623 -206103.7206 17934.1563 0.0000 0.0000 34293.6402 -148949.6120 299.4949 -183243.2523 -148849.3059 299.7201 -23.2492 6.6746 557402.4574 2.2088 2.1762 PRESSURE: 3369000 73.8475 0.83319 155.824 0.832436 -72.2901 30.6026 155.824 30.6033 356.578 GPRESSURE: 3369000 67.8641 -47.2717 109.789 33.3665 40.7525 32.477 173.399 18.3232 349.73 PRESSAVG: 3369000 -43.2844 -48.9933 42.4812 -48.9933 -34.2955 -3.98092 42.4811 -3.98081 107.384 GPRESSAVG: 3369000 -41.6702 -47.0375 43.355 -49.7605 -33.6811 -6.2611 44.1791 -1.89678 105.493 TIMING: 3369000 CPU: 9779.88, 0.00290904/step Wall: 9779.88, 0.00290904/step, 1.31796 hours remaining, 206.886719 MB of memory in use. ENERGY: 3369000 747.2295 2117.5566 1953.0437 112.2315 -206437.0360 17978.7086 0.0000 0.0000 34546.7776 -148981.4885 301.7056 -183528.2661 -148883.2879 299.8953 119.3785 152.7821 555833.5268 9.9347 10.0473 PRESSURE: 3369200 19.7653 127.235 -52.0909 127.236 -294.756 -296.498 -52.0905 -296.496 -192.941 GPRESSURE: 3369200 39.8679 134.221 -31.3703 124.897 -210.127 -318.483 -16.1555 -207.337 -214.036 PRESSAVG: 3369200 -14.8935 25.9171 7.82337 25.9171 -8.54997 44.6348 7.82348 44.6347 59.586 GPRESSAVG: 3369200 -16.2732 25.2831 7.0206 25.9511 -8.30368 48.1192 7.0204 42.3584 60.7256 TIMING: 3369200 CPU: 9780.47, 0.00293011/step Wall: 9780.47, 0.00293011/step, 1.32734 hours remaining, 206.886719 MB of memory in use. ENERGY: 3369200 730.7265 2158.4463 1975.5217 134.9900 -205984.9313 17720.7912 0.0000 0.0000 34348.4539 -148916.0017 299.9736 -183264.4557 -148812.6694 300.5889 -155.9773 -128.0982 559109.8506 12.0475 12.0496 PRESSURE: 3369400 195.47 -8.60159 54.6942 -8.60306 138.458 46.7947 54.6939 46.794 156.88 GPRESSURE: 3369400 312.431 -4.5994 32.2815 -7.50642 168.541 -12.2016 123.607 112.825 102.209 PRESSAVG: 3369400 12.4753 -32.3524 54.7727 -32.3523 -120.784 6.12354 54.7728 6.12361 93.6731 GPRESSAVG: 3369400 12.7338 -32.1983 55.6474 -32.9267 -120.382 5.88783 54.0154 4.74745 93.5934 TIMING: 3369400 CPU: 9781.05, 0.00291356/step Wall: 9781.05, 0.00291356/step, 1.31968 hours remaining, 206.886719 MB of memory in use. ENERGY: 3369400 729.8865 2061.3851 1958.0388 115.2947 -206320.9244 17961.4188 0.0000 0.0000 34593.1426 -148901.7579 302.1105 -183494.9006 -148803.3948 299.6237 163.6026 194.3938 557915.6214 -4.8787 -4.6850 PRESSURE: 3369600 254.307 163.324 46.1245 163.324 -130.601 134.236 46.1242 134.234 94.6455 GPRESSURE: 3369600 214.29 23.4965 78.1929 150.091 -28.0856 149.005 -13.6971 55.2439 127.53 PRESSAVG: 3369600 71.6257 13.0701 56.7572 13.0702 -65.8696 4.1675 56.7572 4.16747 24.2264 GPRESSAVG: 3369600 71.697 13.8366 55.8901 13.48 -66.6052 3.34044 58.3044 5.12736 24.8192 TIMING: 3369600 CPU: 9781.63, 0.00291853/step Wall: 9781.63, 0.00291853/step, 1.32177 hours remaining, 206.886719 MB of memory in use. ENERGY: 3369600 779.7942 2155.0152 1946.8685 112.8288 -206421.6840 18073.4200 0.0000 0.0000 34289.1254 -149064.6319 299.4555 -183353.7573 -148963.2827 299.8400 72.7838 104.5782 559150.4766 9.9942 9.9703 PRESSURE: 3369800 175.55 84.7497 104.277 84.7499 -71.1138 22.9221 104.276 22.9223 37.9106 GPRESSURE: 3369800 177.206 87.754 126.215 5.57886 -25.8462 -99.629 166.845 92.4095 94.1923 PRESSAVG: 3369800 38.5216 -21.7578 28.8634 -21.7579 -36.1578 13.9095 28.8634 13.9096 3.17074 GPRESSAVG: 3369800 38.4206 -23.223 29.3515 -20.8268 -36.6212 14.366 28.3976 16.6365 3.35475 TIMING: 3369800 CPU: 9782.22, 0.00291817/step Wall: 9782.22, 0.00291817/step, 1.32145 hours remaining, 206.886719 MB of memory in use. ENERGY: 3369800 757.2426 2089.7942 1945.9999 107.6131 -206040.9372 17845.1509 0.0000 0.0000 34218.8383 -149076.2982 298.8416 -183295.1365 -148978.5891 299.3034 47.4491 81.8507 559220.8335 1.8448 1.7180 PRESSURE: 3370000 -78.3224 -56.9478 -1.29889 -56.9478 -137.884 30.0479 -1.29987 30.0485 -20.0262 GPRESSURE: 3370000 -3.02535 -49.9795 46.614 -84.4916 -173.122 -68.3231 -50.6695 51.0591 31.1766 PRESSAVG: 3370000 21.2596 -36.767 22.4796 -36.7669 -27.7399 6.61958 22.4797 6.6196 30.1282 GPRESSAVG: 3370000 21.8061 -36.779 23.4251 -34.7845 -28.2147 4.83639 21.4623 4.03286 29.9812 TIMING: 3370000 CPU: 9782.8, 0.00291287/step Wall: 9782.8, 0.00291287/step, 1.31888 hours remaining, 206.886719 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: 3370000 782.8999 2111.5270 1978.4173 127.2440 -206184.7269 17865.9012 0.0000 0.0000 34232.0809 -149086.6567 298.9573 -183318.7375 -148991.8617 299.8974 -78.7443 -48.3236 559202.6806 7.8826 7.8575 PRESSURE: 3370200 -53.7102 -66.1411 -83.9114 -66.1408 -117.104 88.1953 -83.9093 88.1969 34.8369 GPRESSURE: 3370200 -8.62157 -63.5139 -86.5855 -5.19507 -45.9113 46.685 -94.4078 149.718 37.5181 PRESSAVG: 3370200 49.7148 -20.3611 -12.4032 -20.361 -22.6394 3.68516 -12.4033 3.68514 -30.2178 GPRESSAVG: 3370200 49.6372 -19.2715 -12.3582 -22.6987 -23.2906 4.35384 -13.2406 3.00186 -30.1974 TIMING: 3370200 CPU: 9783.38, 0.00290422/step Wall: 9783.38, 0.00290422/step, 1.3148 hours remaining, 206.886719 MB of memory in use. ENERGY: 3370200 771.4481 2135.7975 1940.6827 120.3448 -206100.3056 17719.8383 0.0000 0.0000 34279.3100 -149132.8842 299.3697 -183412.1942 -149033.6778 299.2128 -45.3257 -5.6716 557443.3000 -1.0475 -1.2836 PRESSURE: 3370400 -160.369 -204.118 36.8203 -204.119 -96.0374 40.4999 36.82 40.5012 -262.832 GPRESSURE: 3370400 -113.984 -189.328 79.208 -201.676 -116.334 16.4206 38.3863 68.755 -192.977 PRESSAVG: 3370400 -0.247887 -4.24957 -3.87026 -4.24958 9.24393 13.6657 -3.87028 13.6657 0.669511 GPRESSAVG: 3370400 -0.429055 -4.67949 -5.59758 -4.89489 8.72029 13.1551 -1.17683 15.5824 1.93984 TIMING: 3370400 CPU: 9783.96, 0.00288283/step Wall: 9783.96, 0.00288283/step, 1.30496 hours remaining, 206.886719 MB of memory in use. ENERGY: 3370400 777.1375 2202.5991 1979.3228 105.5336 -205745.7606 17456.0640 0.0000 0.0000 34261.9641 -148963.1395 299.2183 -183225.1035 -148870.8478 299.7929 -173.0795 -141.0982 558785.5174 3.2219 3.4104 PRESSURE: 3370600 -26.143 -40.7739 -54.1516 -40.7752 182.385 17.073 -54.1519 17.0724 137.073 GPRESSURE: 3370600 30.7247 -26.2777 -108.371 -60.0042 206.038 -35.5598 38.302 13.5976 144.831 PRESSAVG: 3370600 -29.7577 -5.00161 -28.8758 -5.00151 18.79 13.6192 -28.8757 13.6193 -5.47535 GPRESSAVG: 3370600 -28.7222 -5.12691 -28.5357 -5.76553 19.7228 14.4797 -26.9066 11.3995 -7.79327 TIMING: 3370600 CPU: 9784.53, 0.00288644/step Wall: 9784.53, 0.00288644/step, 1.30643 hours remaining, 206.886719 MB of memory in use. ENERGY: 3370600 727.0362 2123.4944 1957.4318 115.1286 -206112.8274 17924.7251 0.0000 0.0000 34300.3137 -148964.6976 299.5532 -183265.0113 -148873.2288 300.2842 97.7717 127.1977 559065.1714 -5.4810 -5.5975 PRESSURE: 3370800 -74.0886 -107.272 31.332 -107.271 -33.287 62.4809 31.3332 62.4822 -41.9736 GPRESSURE: 3370800 -23.0332 -31.3461 -18.9815 -162.515 -11.4679 140.347 -2.2539 85.2421 -25.1226 PRESSAVG: 3370800 -4.47472 -38.8089 68.2567 -38.8089 11.8181 46.8496 68.2566 46.8495 24.0835 GPRESSAVG: 3370800 -5.42281 -38.903 70.7691 -37.4836 11.3198 48.5276 66.8875 47.663 24.8774 TIMING: 3370800 CPU: 9785.11, 0.00289495/step Wall: 9785.11, 0.00289495/step, 1.31013 hours remaining, 206.886719 MB of memory in use. ENERGY: 3370800 721.8676 2129.0775 1957.6187 117.5115 -205797.8183 17838.5190 0.0000 0.0000 34192.4596 -148840.7643 298.6113 -183033.2239 -148743.8553 300.1360 -49.7831 -19.8746 558879.7042 10.4756 10.2581 PRESSURE: 3371000 22.3815 -116.187 -58.3676 -116.187 263.923 70.1185 -58.3687 70.1194 58.5204 GPRESSURE: 3371000 39.8214 -94.4789 -85.8049 -86.9498 302.096 -5.30469 46.3229 113.145 82.8261 PRESSAVG: 3371000 -11.4197 -2.49286 66.5359 -2.49288 -83.0745 87.4968 66.536 87.4966 39.2175 GPRESSAVG: 3371000 -10.0403 -2.23063 65.1022 -2.21452 -82.594 84.9152 65.8187 89.0063 37.2027 TIMING: 3371000 CPU: 9785.69, 0.00291214/step Wall: 9785.69, 0.00291214/step, 1.31774 hours remaining, 206.886719 MB of memory in use. ENERGY: 3371000 731.8130 2160.1564 1943.1577 114.7314 -206157.3196 17997.5381 0.0000 0.0000 34423.5282 -148786.3948 300.6292 -183209.9230 -148692.8732 299.8574 114.9416 141.5813 556841.8446 -18.4256 -18.4772 PRESSURE: 3371200 -35.5043 -93.9445 145.201 -93.9444 122.877 92.4803 145.201 92.4802 82.7624 GPRESSURE: 3371200 -25.012 -74.5176 272.379 -120.428 138.213 125.879 102.207 89.4658 146.553 PRESSAVG: 3371200 70.7574 -6.15811 -1.02314 -6.15803 14.0996 37.7193 -1.02315 37.7192 -28.7594 GPRESSAVG: 3371200 68.6273 -5.24692 -2.32874 -6.5371 14.0268 41.3642 -1.59088 36.4819 -26.1805 TIMING: 3371200 CPU: 9786.28, 0.00292033/step Wall: 9786.28, 0.00292033/step, 1.32129 hours remaining, 206.886719 MB of memory in use. ENERGY: 3371200 766.3090 2089.2492 1959.1132 112.6027 -205970.6340 17807.5883 0.0000 0.0000 34415.4248 -148820.3468 300.5585 -183235.7716 -148719.0672 300.7694 56.7116 86.5847 557906.4930 18.6992 18.8245 PRESSURE: 3371400 63.4197 -110.768 12.7456 -110.769 137.374 37.2788 12.7464 37.2778 155.239 GPRESSURE: 3371400 197.481 -83.4753 -78.9487 -132.272 140.928 -25.5017 21.6716 93.6099 109.904 PRESSAVG: 3371400 12.7702 -78.7696 28.8234 -78.7695 -28.8039 25.425 28.8234 25.4249 59.465 GPRESSAVG: 3371400 13.3477 -77.5568 29.1264 -78.7238 -29.8553 23.8372 30.5493 25.0614 60.1128 TIMING: 3371400 CPU: 9786.86, 0.00290016/step Wall: 9786.86, 0.00290016/step, 1.312 hours remaining, 206.886719 MB of memory in use. ENERGY: 3371400 731.2360 2113.7955 1947.7046 123.4737 -205981.9952 17898.3431 0.0000 0.0000 34448.6584 -148718.7840 300.8487 -183167.4423 -148617.9129 300.2024 118.6774 149.4377 558088.5764 14.4771 14.5351 PRESSURE: 3371600 -116.351 -102.032 214.624 -102.033 -120.866 -140.337 214.625 -140.337 -152.072 GPRESSURE: 3371600 -89.588 -106.956 18.6637 -127.41 -72.3102 -44.2336 241.197 -187.83 -130.187 PRESSAVG: 3371600 8.5141 4.52858 40.9422 4.52852 -38.6104 -16.1745 40.9423 -16.1744 32.6691 GPRESSAVG: 3371600 9.0086 1.2304 40.2679 6.46175 -37.8929 -18.5609 40.6388 -16.4814 31.9953 TIMING: 3371600 CPU: 9787.44, 0.00289753/step Wall: 9787.44, 0.00289753/step, 1.31065 hours remaining, 206.886719 MB of memory in use. ENERGY: 3371600 735.9247 2126.8558 1976.5187 105.1551 -205548.9731 17508.4556 0.0000 0.0000 34363.3888 -148732.6745 300.1040 -183096.0633 -148641.9375 300.6245 -129.7628 -97.3618 559219.2802 0.8576 1.0370 PRESSURE: 3371800 78.5463 48.3215 -250.382 48.3213 -79.187 99.7718 -250.382 99.7701 -124.11 GPRESSURE: 3371800 49.2685 39.1513 -278.849 47.6807 -36.49 37.1734 -216.374 108.941 -39.1219 PRESSAVG: 3371800 -43.467 58.7096 8.59227 58.7096 7.93967 -14.1895 8.59221 -14.1895 54.396 GPRESSAVG: 3371800 -43.7723 59.5333 9.65138 58.2104 7.50921 -11.9857 6.80129 -15.3835 54.8383 TIMING: 3371800 CPU: 9788.02, 0.00290355/step Wall: 9788.02, 0.00290355/step, 1.31321 hours remaining, 206.886719 MB of memory in use. ENERGY: 3371800 752.8885 2145.1030 1919.4426 100.3464 -205923.8455 17791.1585 0.0000 0.0000 34403.0314 -148811.8751 300.4502 -183214.9065 -148714.3270 300.3819 -41.5835 -8.7812 559697.9600 6.2895 6.1918 PRESSURE: 3372000 -310.884 112.107 17.5879 112.108 -101.026 -74.5307 17.5877 -74.5308 -90.1167 GPRESSURE: 3372000 -265.364 45.7681 -66.615 120.439 -52.2468 -57.9965 49.7872 -57.3905 -83.5853 PRESSAVG: 3372000 -24.2901 -4.63579 -34.1499 -4.63586 10.1756 13.3189 -34.1499 13.3189 47.4117 GPRESSAVG: 3372000 -23.4393 -4.70437 -34.8889 -4.72684 10.7028 11.6087 -33.0537 15.2353 46.9089 TIMING: 3372000 CPU: 9788.6, 0.00289624/step Wall: 9788.6, 0.00289624/step, 1.30974 hours remaining, 206.886719 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: 3372000 722.9518 2076.2132 1952.1643 119.5759 -205344.7844 17252.4144 0.0000 0.0000 34326.1046 -148895.3602 299.7784 -183221.4647 -148797.9346 300.0061 -167.3424 -133.7320 557216.1887 11.0991 11.3908 PRESSURE: 3372200 -171.668 196.659 -99.2223 196.659 179.061 -15.5583 -99.2229 -15.5611 -60.8811 GPRESSURE: 3372200 -148.668 230.992 -163.037 172.697 155.891 49.2326 -37.7744 -56.4032 21.5596 PRESSAVG: 3372200 -10.7713 30.1747 -24.378 30.1748 70.0489 2.39841 -24.378 2.3984 -71.1655 GPRESSAVG: 3372200 -11.0474 29.6828 -25.446 29.6926 70.3995 1.28317 -23.6362 2.83325 -70.757 TIMING: 3372200 CPU: 9789.18, 0.00289507/step Wall: 9789.18, 0.00289508/step, 1.30906 hours remaining, 206.886719 MB of memory in use. ENERGY: 3372200 779.2497 2090.3650 1942.3166 113.6249 -205783.3862 17729.9441 0.0000 0.0000 34234.1336 -148893.7525 298.9752 -183127.8860 -148799.8535 300.4717 -17.8294 9.5939 556702.1171 -3.9626 -3.8016 LDB: ============= START OF LOAD BALANCING ============== 9792.64 LDB: ============== END OF LOAD BALANCING =============== 9792.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9792.64 LDB: ============= START OF LOAD BALANCING ============== 9792.94 LDB: Largest compute 4820 load 0.028706 is 24.4% of average load 0.117781 LDB: Average compute 0.001720 is 1.5% of average load 0.117781 LDB: TIME 9792.94 LOAD: AVG 0.117781 MAX 0.176985 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.824 MB LDB: TIME 9792.94 LOAD: AVG 0.117781 MAX 0.176985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 9792.94 LOAD: AVG 0.117781 MAX 0.176985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9792.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9792.94 PRESSURE: 3372400 -111.93 169.685 103.264 169.685 -344.81 -36.0299 103.263 -36.0311 -277.722 GPRESSURE: 3372400 -31.4121 158.939 111.871 202.665 -311.552 -86.9006 114.969 -34.6745 -297.605 PRESSAVG: 3372400 32.2996 43.3999 39.5888 43.3999 -18.8986 -89.6834 39.5887 -89.6835 5.36843 GPRESSAVG: 3372400 32.7912 43.1786 40.089 43.7835 -19.9522 -89.6813 39.0482 -89.4238 5.73737 TIMING: 3372400 CPU: 9789.77, 0.00296509/step Wall: 9789.77, 0.00296509/step, 1.34055 hours remaining, 207.875000 MB of memory in use. ENERGY: 3372400 820.1089 2109.7557 1943.2559 121.9997 -205765.8037 17611.4354 0.0000 0.0000 34228.6999 -148930.5482 298.9277 -183159.2481 -148838.5495 300.0798 -244.8206 -213.5230 557875.4190 6.2565 6.1921 PRESSURE: 3372600 178.977 229.928 -129.92 229.929 -122.974 105.168 -129.921 105.167 116.285 GPRESSURE: 3372600 176.352 268.586 -165.484 139.03 -16.1469 57.2787 -172.827 145.344 103.776 PRESSAVG: 3372600 -6.68345 56.381 8.57103 56.381 -21.5633 -4.71719 8.5711 -4.71712 9.81006 GPRESSAVG: 3372600 -7.55117 56.435 9.02388 57.0711 -19.3244 -2.49097 7.5948 -5.80776 8.35362 TIMING: 3372600 CPU: 9790.35, 0.0029058/step Wall: 9790.35, 0.00290581/step, 1.31359 hours remaining, 208.132812 MB of memory in use. ENERGY: 3372600 723.0506 2129.3801 1934.0885 103.7163 -206625.0546 18113.5920 0.0000 0.0000 34638.8855 -148982.3417 302.5100 -183621.2272 -148885.3830 300.1076 57.4292 87.9935 557551.6191 -6.1456 -6.1740 PRESSURE: 3372800 287.203 48.6863 -205.167 48.6859 285.083 230.993 -205.168 230.993 89.5883 GPRESSURE: 3372800 315.419 138.188 -199.316 36.8431 284.899 212.073 -181.062 195.615 147.133 PRESSAVG: 3372800 -37.9695 42.7993 -63.4631 42.7993 -7.81461 59.132 -63.4631 59.1321 31.764 GPRESSAVG: 3372800 -37.6654 44.8516 -61.6804 42.0843 -11.0563 57.6154 -62.9033 62.2597 33.8493 TIMING: 3372800 CPU: 9790.93, 0.002911/step Wall: 9790.93, 0.002911/step, 1.31577 hours remaining, 208.199219 MB of memory in use. ENERGY: 3372800 705.2995 2074.7636 1929.1411 115.5445 -206339.2824 18024.8148 0.0000 0.0000 34632.1004 -148857.6185 302.4507 -183489.7189 -148756.4519 300.3836 220.6248 249.1500 556020.0853 -4.6734 -4.9575 PRESSURE: 3373000 25.9011 -85.358 -69.3583 -85.3596 141.191 -142.45 -69.3583 -142.451 18.1317 GPRESSURE: 3373000 116.06 -126.347 -68.2754 -151.609 181.095 -151.546 -46.8978 -178.231 -7.29368 PRESSAVG: 3373000 26.2636 -3.87114 -7.65717 -3.87127 -56.4938 7.11697 -7.65718 7.11694 14.4515 GPRESSAVG: 3373000 25.8361 -5.55793 -9.94475 -3.23446 -54.4144 8.25746 -7.73214 5.4341 12.4385 TIMING: 3373000 CPU: 9791.51, 0.00290133/step Wall: 9791.51, 0.00290133/step, 1.31124 hours remaining, 208.324219 MB of memory in use. ENERGY: 3373000 696.1894 2106.0039 1959.6378 108.0948 -205539.7461 17653.7343 0.0000 0.0000 34381.7854 -148634.3005 300.2647 -183016.0859 -148539.9733 301.1252 61.7414 96.6202 557644.5694 -5.2595 -5.3799 PRESSURE: 3373200 -1.84347 -52.0348 -96.4748 -52.0355 65.8094 56.7577 -96.4749 56.7579 117.176 GPRESSURE: 3373200 -2.46236 -29.4463 -64.8832 -162.333 143.18 14.6971 -109.306 139.465 134.465 PRESSAVG: 3373200 -11.4552 -15.7893 -49.1112 -15.7892 2.99303 -77.9869 -49.1112 -77.9869 -20.8309 GPRESSAVG: 3373200 -11.1198 -15.9718 -47.7595 -16.7263 2.84968 -78.0843 -49.82 -79.0319 -21.2638 TIMING: 3373200 CPU: 9792.09, 0.00290033/step Wall: 9792.09, 0.00290033/step, 1.31062 hours remaining, 208.324219 MB of memory in use. ENERGY: 3373200 719.2925 2082.7898 1949.2838 109.6073 -205791.1477 17794.8009 0.0000 0.0000 34341.9338 -148793.4396 299.9166 -183135.3734 -148701.0733 300.8582 60.3808 91.7277 559262.6645 -9.7644 -9.8447 PRESSURE: 3373400 4.93431 35.6517 118.235 35.652 -44.3303 -110.794 118.234 -110.794 -217.148 GPRESSURE: 3373400 49.9057 51.6955 81.5515 -12.5784 -2.07928 -62.3668 116.256 -168.46 -216.545 PRESSAVG: 3373400 23.9459 35.6194 33.0947 35.6195 77.6237 -33.2592 33.0947 -33.2593 -60.7429 GPRESSAVG: 3373400 23.8855 36.0275 32.2496 34.6861 77.6242 -31.6465 35.5359 -34.3763 -61.1304 TIMING: 3373400 CPU: 9792.68, 0.00293017/step Wall: 9792.68, 0.00293017/step, 1.32395 hours remaining, 208.324219 MB of memory in use. ENERGY: 3373400 736.3549 2051.8133 1943.0774 106.8865 -205685.7365 17599.7534 0.0000 0.0000 34272.1638 -148975.6871 299.3073 -183247.8509 -148876.5334 300.0904 -85.5146 -56.2394 558933.9432 13.6089 13.4598 PRESSURE: 3373600 -124.342 133.031 62.841 133.031 55.2932 -81.5943 62.8409 -81.5957 -201.609 GPRESSURE: 3373600 -119.448 20.871 -19.7278 157.412 47.4351 -98.0106 129.828 -80.6897 -105.939 PRESSAVG: 3373600 -48.219 23.887 10.2114 23.8869 51.4396 -44.5999 10.2114 -44.5999 -35.9323 GPRESSAVG: 3373600 -48.8593 23.8996 10.6256 25.455 49.7284 -45.3248 8.96113 -43.2124 -34.0099 TIMING: 3373600 CPU: 9793.26, 0.00291153/step Wall: 9793.26, 0.00291153/step, 1.31536 hours remaining, 208.324219 MB of memory in use. ENERGY: 3373600 770.5434 2133.6175 1948.1807 115.0571 -205929.1419 17661.7434 0.0000 0.0000 34290.7711 -149009.2287 299.4698 -183299.9998 -148917.8927 299.9056 -90.2193 -59.3175 558289.5960 -10.9039 -11.0469 PRESSURE: 3373800 239.81 -73.6487 123.083 -73.6491 -25.0651 -14.7676 123.081 -14.7684 44.794 GPRESSURE: 3373800 252.79 -94.4216 88.547 21.9309 43.4079 -16.7249 135.134 13.6325 38.6824 PRESSAVG: 3373800 17.9936 60.5874 50.5437 60.5873 27.0505 -9.4752 50.5436 -9.47513 -37.7077 GPRESSAVG: 3373800 17.0914 59.5985 50.6406 60.6307 28.6766 -8.44742 50.4512 -10.7488 -38.3688 TIMING: 3373800 CPU: 9793.84, 0.0029113/step Wall: 9793.84, 0.0029113/step, 1.3151 hours remaining, 208.324219 MB of memory in use. ENERGY: 3373800 726.2606 2102.1506 1944.6271 120.1118 -206082.4964 17860.8135 0.0000 0.0000 34309.0339 -149019.4989 299.6293 -183328.5328 -148934.8377 300.4117 86.5129 111.6267 557701.8375 2.4455 2.4664 PRESSURE: 3374000 -212.347 -34.6494 -10.4579 -34.6506 -197.512 -197.558 -10.4583 -197.558 287.081 GPRESSURE: 3374000 -184.64 -161.811 -12.5991 -73.2901 -110.155 -196.328 -39.7546 -181.319 272.004 PRESSAVG: 3374000 -9.4738 -8.39219 40.1346 -8.39214 123.938 17.5139 40.1346 17.5139 -88.3607 GPRESSAVG: 3374000 -9.10295 -7.62178 39.0916 -9.46542 124.216 15.5177 40.0332 18.3066 -89.1177 TIMING: 3374000 CPU: 9794.43, 0.00295447/step Wall: 9794.43, 0.00295447/step, 1.33444 hours remaining, 208.324219 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: 3374000 726.2000 2077.4913 1984.5934 117.1155 -205686.7379 17557.5452 0.0000 0.0000 34123.8139 -149099.9785 298.0118 -183223.7925 -149003.0947 300.0370 -40.9259 -7.5971 558816.9753 8.7011 8.6651 PRESSURE: 3374200 -4.62816 173.518 -92.151 173.519 -176.044 -0.160302 -92.151 -0.160502 62.2413 GPRESSURE: 3374200 42.4356 212.656 -44.6385 135.393 -166.312 88.1227 -91.4298 -30.3889 101.87 PRESSAVG: 3374200 -17.2147 -21.3079 -29.4217 -21.3078 -37.8008 -36.7319 -29.4216 -36.7319 52.9357 GPRESSAVG: 3374200 -16.3111 -22.7919 -28.9314 -19.4157 -38.7082 -35.8378 -28.0761 -36.9162 53.3551 TIMING: 3374200 CPU: 9795.01, 0.00290034/step Wall: 9795.01, 0.00290034/step, 1.30983 hours remaining, 208.324219 MB of memory in use. ENERGY: 3374200 739.3358 2111.1709 1948.4973 121.5411 -205955.3760 17734.5846 0.0000 0.0000 34082.4303 -149217.8160 297.6503 -183300.2463 -149124.0330 298.9075 -39.4769 -7.3354 558649.4284 -0.6932 -0.5547 PRESSURE: 3374400 49.4835 212.671 -32.4498 212.67 47.1337 -40.0749 -32.4509 -40.0768 260.316 GPRESSURE: 3374400 166.082 200.134 -12.4128 152.706 64.8875 -51.9842 -40.5285 -39.604 227.807 PRESSAVG: 3374400 -15.1493 10.3029 -12.0442 10.3029 -4.61497 -7.0116 -12.0442 -7.0116 24.0234 GPRESSAVG: 3374400 -15.0322 9.83603 -10.4419 10.6966 -5.25435 -6.76512 -14.327 -6.07949 24.6191 TIMING: 3374400 CPU: 9795.6, 0.00292066/step Wall: 9795.6, 0.00292066/step, 1.31884 hours remaining, 208.324219 MB of memory in use. ENERGY: 3374400 689.8468 2147.9703 1977.0986 110.2956 -206237.9247 17853.3627 0.0000 0.0000 34157.5001 -149301.8506 298.3059 -183459.3507 -149202.8158 298.5745 118.9776 152.9254 559001.6358 1.4197 1.4442 PRESSURE: 3374600 106.875 -22.4919 86.7299 -22.4911 -218.807 37.2001 86.729 37.1992 -20.7611 GPRESSURE: 3374600 181.893 -9.4854 27.4648 25.2768 -235.307 -45.7161 43.881 101.213 17.2884 PRESSAVG: 3374600 -12.4989 33.9215 19.5896 33.9216 -6.83469 15.5219 19.5896 15.522 42.0247 GPRESSAVG: 3374600 -13.6525 34.2051 18.3697 32.9553 -5.15239 11.8022 18.548 16.483 42.2215 TIMING: 3374600 CPU: 9796.18, 0.00290746/step Wall: 9796.18, 0.00290746/step, 1.31272 hours remaining, 208.324219 MB of memory in use. ENERGY: 3374600 755.6401 2089.2500 1936.6181 106.6306 -205920.2899 17696.4760 0.0000 0.0000 34148.9019 -149186.7732 298.2309 -183335.6751 -149092.7820 298.8167 -44.2308 -12.0417 559419.8009 7.5637 7.8055 PRESSURE: 3374800 -384.098 13.6744 -220.861 13.6747 -110.931 9.63003 -220.86 9.62999 -32.6808 GPRESSURE: 3374800 -433.015 -3.37107 -238.787 -3.29039 -7.73902 0.311648 -188.995 -2.70551 4.52909 PRESSAVG: 3374800 62.6482 35.5702 -8.27683 35.5702 16.4485 41.1176 -8.27682 41.1177 -105.215 GPRESSAVG: 3374800 63.0765 38.4132 -10.4805 33.8682 16.1565 44.4099 -5.38821 40.7134 -105.5 TIMING: 3374800 CPU: 9796.76, 0.00289936/step Wall: 9796.76, 0.00289936/step, 1.3089 hours remaining, 208.324219 MB of memory in use. ENERGY: 3374800 757.0028 2110.6870 1952.0104 109.4103 -205929.9010 17508.9411 0.0000 0.0000 34342.3800 -149149.4694 299.9205 -183491.8494 -149056.6101 299.6270 -175.9035 -145.4083 558266.5163 -8.7062 -8.7557 PRESSURE: 3375000 -97.2672 78.7286 22.1912 78.7287 31.7907 -114.209 22.1915 -114.209 -113.39 GPRESSURE: 3375000 -65.3139 104.458 -18.566 3.83785 -5.13681 -26.4087 107.447 -170.721 -23.6183 PRESSAVG: 3375000 -23.3491 14.3854 -4.42491 14.3853 56.0638 -10.1034 -4.42484 -10.1035 -36.8903 GPRESSAVG: 3375000 -24.4273 13.2092 -3.27106 16.753 55.3128 -13.3447 -5.32051 -9.45887 -35.2816 TIMING: 3375000 CPU: 9797.34, 0.0028984/step Wall: 9797.34, 0.0028984/step, 1.30831 hours remaining, 208.324219 MB of memory in use. ENERGY: 3375000 777.9914 2128.9794 1967.8521 114.0200 -206563.4591 17886.2302 0.0000 0.0000 34361.8470 -149326.5390 300.0906 -183688.3860 -149234.8246 299.1565 -59.6223 -31.3563 559350.7722 -1.3919 -1.4654 PRESSURE: 3375200 80.4675 59.9647 41.1725 59.9641 223.021 -36.7188 41.1736 -36.7184 200.475 GPRESSURE: 3375200 164.013 137.452 79.5983 -11.8176 257.308 -30.6261 63.6931 -88.1207 180.741 PRESSAVG: 3375200 3.04792 76.536 -15.6751 76.5359 7.0839 -5.38047 -15.675 -5.38059 -12.9609 GPRESSAVG: 3375200 3.95484 76.5774 -15.2555 74.7168 7.34723 -4.82719 -14.983 -4.44602 -14.7589 TIMING: 3375200 CPU: 9797.92, 0.00289748/step Wall: 9797.92, 0.00289748/step, 1.30773 hours remaining, 208.324219 MB of memory in use. ENERGY: 3375200 718.4147 2096.9186 1960.5725 108.3187 -206826.0040 18279.9369 0.0000 0.0000 34204.0924 -149457.7503 298.7128 -183661.8427 -149366.1772 298.4299 167.9879 200.6873 558040.7140 -0.9430 -1.1523 PRESSURE: 3375400 184.439 154.373 113.302 154.373 -172.313 -79.3349 113.301 -79.3353 -270.77 GPRESSURE: 3375400 157.284 114.068 64.8725 241.084 -106.225 42.2489 151.37 -102.169 -224.567 PRESSAVG: 3375400 7.56835 -28.1505 -7.47784 -28.1503 -4.14354 4.82718 -7.47778 4.82725 9.13067 GPRESSAVG: 3375400 7.79482 -30.2239 -6.17191 -28.0499 -5.07208 4.93809 -8.23779 3.53198 9.17369 TIMING: 3375400 CPU: 9798.5, 0.00289413/step Wall: 9798.5, 0.00289413/step, 1.30606 hours remaining, 208.324219 MB of memory in use. ENERGY: 3375400 754.9313 2103.4011 1964.5880 120.0581 -205988.1826 17730.5817 0.0000 0.0000 33988.5125 -149326.1099 296.8301 -183314.6224 -149234.9782 298.5136 -86.2147 -57.8359 559769.1266 4.1852 3.9655 PRESSURE: 3375600 -59.1744 -32.7235 139.374 -32.7235 40.2318 -249.259 139.374 -249.26 -162.794 GPRESSURE: 3375600 37.3053 -78.5044 154.639 -51.1072 61.627 -318.291 100.54 -130.858 -189.074 PRESSAVG: 3375600 110.952 -30.1332 1.59015 -30.1332 -65.2097 21.2563 1.59019 21.2563 -46.408 GPRESSAVG: 3375600 110.746 -29.1027 -0.588076 -30.0703 -65.0234 22.9511 1.82923 22.7543 -45.9032 TIMING: 3375600 CPU: 9799.08, 0.0028931/step Wall: 9799.08, 0.0028931/step, 1.30543 hours remaining, 208.324219 MB of memory in use. ENERGY: 3375600 769.3146 2096.4200 1949.1326 115.7256 -206252.6984 17712.6912 0.0000 0.0000 34331.6119 -149277.8025 299.8265 -183609.4144 -149190.3014 298.3208 -60.5790 -30.0474 558730.4774 -0.2218 -0.0602 PRESSURE: 3375800 18.4272 201.769 -31.2982 201.768 -343.928 -36.8723 -31.2983 -36.8718 -159.362 GPRESSURE: 3375800 -54.2553 148.672 -50.9965 281.11 -238.738 -49.6953 -78.6016 -79.1313 -102.097 PRESSAVG: 3375800 75.5936 44.2373 12.9638 44.2373 11.8051 -19.6325 12.9638 -19.6325 -34.796 GPRESSAVG: 3375800 74.4565 45.7872 12.8286 42.8042 11.7013 -18.328 13.3978 -22.165 -33.922 TIMING: 3375800 CPU: 9799.66, 0.00289119/step Wall: 9799.66, 0.00289119/step, 1.30441 hours remaining, 208.324219 MB of memory in use. ENERGY: 3375800 745.8946 2117.7639 1952.9973 104.0020 -206134.3632 17580.0076 0.0000 0.0000 34466.8063 -149166.8915 301.0072 -183633.6978 -149069.4895 298.8602 -161.6209 -131.6969 557498.3176 17.5342 17.4119 PRESSURE: 3376000 181.421 -188.208 86.4133 -188.207 52.4389 41.9077 86.4122 41.9059 15.3665 GPRESSURE: 3376000 177.856 -146.453 87.3826 -123.975 101.926 4.7456 94.356 73.6948 61.6396 PRESSAVG: 3376000 -5.24063 94.9087 14.4773 94.9087 12.7226 -5.65114 14.4773 -5.65114 -16.1484 GPRESSAVG: 3376000 -4.28933 92.797 14.7422 96.5835 14.1759 -5.73629 14.3598 -6.24393 -18.3302 TIMING: 3376000 CPU: 9800.24, 0.0029094/step Wall: 9800.24, 0.0029094/step, 1.31246 hours remaining, 208.324219 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: 3376000 744.7649 2057.6917 1967.2653 111.1407 -206109.4009 18002.6366 0.0000 0.0000 33991.4682 -149234.4335 296.8559 -183225.9016 -149139.8976 299.4860 83.0754 113.8073 557665.0532 -2.8888 -2.8146 PRESSURE: 3376200 33.8251 -61.6713 -40.808 -61.6723 -238.474 -38.4857 -40.8082 -38.4847 -19.832 GPRESSURE: 3376200 91.5896 -122.872 -57.5332 35.1626 -147.114 -82.1733 4.83557 38.3602 -71.4126 PRESSAVG: 3376200 70.7682 -0.059988 -22.6766 -0.0600112 -9.18111 9.32665 -22.6765 9.32663 -96.6189 GPRESSAVG: 3376200 71.8998 0.46856 -21.4537 2.09951 -11.4607 8.86048 -22.0878 10.3578 -95.3148 TIMING: 3376200 CPU: 9800.81, 0.00288736/step Wall: 9800.81, 0.00288736/step, 1.30236 hours remaining, 208.324219 MB of memory in use. ENERGY: 3376200 764.3822 2024.3366 1992.5886 112.1557 -205748.5893 17518.0906 0.0000 0.0000 34141.9005 -149195.1350 298.1697 -183337.0356 -149101.7526 298.5949 -74.8269 -42.3125 558489.5424 -11.6773 -11.6253 LDB: ============= START OF LOAD BALANCING ============== 9804.28 LDB: ============== END OF LOAD BALANCING =============== 9804.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9804.28 LDB: ============= START OF LOAD BALANCING ============== 9804.57 LDB: Largest compute 4820 load 0.029285 is 24.9% of average load 0.117777 LDB: Average compute 0.001717 is 1.5% of average load 0.117777 LDB: TIME 9804.57 LOAD: AVG 0.117777 MAX 0.178174 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.727 MB LDB: TIME 9804.57 LOAD: AVG 0.117777 MAX 0.178174 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 9804.57 LOAD: AVG 0.117777 MAX 0.178174 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: ============== END OF LOAD BALANCING =============== 9804.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9804.58 PRESSURE: 3376400 -159.733 -30.7957 30.0491 -30.7951 -113.49 -134.114 30.0497 -134.114 172.212 GPRESSURE: 3376400 -134.473 -87.9987 19.9404 -98.8668 -104.957 -44.5446 62.3873 -105.679 235.216 PRESSAVG: 3376400 18.6817 -20.3523 -28.1985 -20.3522 -48.2688 35.8512 -28.1985 35.8513 15.5855 GPRESSAVG: 3376400 18.4691 -21.1675 -30.0542 -24.1778 -47.912 34.9075 -29.0975 36.9657 14.96 TIMING: 3376400 CPU: 9801.4, 0.00293395/step Wall: 9801.4, 0.00293395/step, 1.32321 hours remaining, 205.949219 MB of memory in use. ENERGY: 3376400 742.9008 2039.9032 1959.8534 131.5146 -206195.5464 17838.9984 0.0000 0.0000 34334.8716 -149147.5044 299.8550 -183482.3760 -149051.9832 299.1820 -33.6703 -1.4048 557273.0412 -4.6672 -4.8276 PRESSURE: 3376600 99.6404 -99.8106 159.603 -99.8109 -49.736 76.5441 159.602 76.5444 -163.783 GPRESSURE: 3376600 112.987 -60.9947 231.14 -106.025 28.266 171.361 56.1818 -1.18475 -154.566 PRESSAVG: 3376600 4.04559 36.6094 -22.4831 36.6092 -28.5614 -35.3028 -22.483 -35.3029 32.0872 GPRESSAVG: 3376600 2.23211 38.5072 -21.8525 37.3037 -28.2587 -36.7725 -22.0599 -34.8448 33.8138 TIMING: 3376600 CPU: 9801.98, 0.00289809/step Wall: 9801.98, 0.00289809/step, 1.30688 hours remaining, 206.277344 MB of memory in use. ENERGY: 3376600 714.9448 2093.6803 1990.1714 101.8993 -205951.1460 17672.2247 0.0000 0.0000 34412.6109 -148965.6146 300.5339 -183378.2255 -148865.3548 299.9579 -37.9595 -4.4376 556199.6864 2.5238 2.5957 PRESSURE: 3376800 44.2935 -72.3722 -107.834 -72.3712 -57.3475 -57.0764 -107.834 -57.077 22.4089 GPRESSURE: 3376800 50.0236 -4.27247 -128.268 -149.511 25.5608 -85.3406 -70.2649 -29.3367 47.8256 PRESSAVG: 3376800 -9.99256 11.6986 24.0178 11.6985 93.6511 -13.4299 24.0179 -13.43 -30.1229 GPRESSAVG: 3376800 -10.0282 10.318 26.0496 12.3693 94.4459 -13.5112 23.6496 -14.9054 -31.1879 TIMING: 3376800 CPU: 9802.56, 0.00289801/step Wall: 9802.56, 0.00289801/step, 1.30668 hours remaining, 206.476562 MB of memory in use. ENERGY: 3376800 754.7077 2149.2420 1942.5653 131.0436 -206036.4180 17710.1885 0.0000 0.0000 34372.1000 -148976.5709 300.1801 -183348.6709 -148880.4308 300.1065 3.1183 41.1367 556205.4510 17.8452 17.7433 PRESSURE: 3377000 190.554 -48.7679 -198.235 -48.7677 -49.7208 254.873 -198.234 254.875 272.149 GPRESSURE: 3377000 204.947 -64.4785 -165.151 -73.5845 22.9259 303.499 -162.68 200.854 284.868 PRESSAVG: 3377000 -4.12969 6.14963 39.6583 6.14965 -27.4438 -3.98244 39.6582 -3.98237 59.6294 GPRESSAVG: 3377000 -3.71472 5.36128 38.1568 6.42217 -28.4258 -3.3117 39.3187 -2.89689 59.8449 TIMING: 3377000 CPU: 9803.14, 0.002877/step Wall: 9803.14, 0.00287699/step, 1.29705 hours remaining, 206.488281 MB of memory in use. ENERGY: 3377000 732.2227 2081.6716 1962.1544 104.7764 -206015.9153 17748.1777 0.0000 0.0000 34388.0476 -148998.8650 300.3194 -183386.9125 -148894.6906 299.8601 137.6609 170.9135 555005.9463 9.3520 9.2348 PRESSURE: 3377200 239.813 -51.6269 -97.0106 -51.627 -32.944 -10.9042 -97.011 -10.9056 218.708 GPRESSURE: 3377200 265.998 12.4001 21.5377 63.6649 -29.9378 -26.5816 -86.1224 -25.6628 277.516 PRESSAVG: 3377200 49.8621 -5.94446 21.9091 -5.94439 -106.142 -48.903 21.9091 -48.9031 16.4995 GPRESSAVG: 3377200 50.3575 -4.85151 24.4388 -6.27206 -106.861 -46.5665 22.8824 -52.6689 16.264 TIMING: 3377200 CPU: 9803.72, 0.00289991/step Wall: 9803.72, 0.00289991/step, 1.30722 hours remaining, 206.488281 MB of memory in use. ENERGY: 3377200 760.3951 2122.5469 1969.9205 107.6627 -206409.4195 18032.9602 0.0000 0.0000 34612.7809 -148803.1533 302.2820 -183415.9342 -148713.8913 300.7106 141.8590 171.1920 556829.9371 -13.2602 -13.4133 PRESSURE: 3377400 39.4035 113.121 -61.3321 113.122 -196.992 -73.9552 -61.3316 -73.9542 241.029 GPRESSURE: 3377400 87.4236 53.5909 -34.6378 78.0757 -91.0498 -58.2935 -109.256 -120.786 181.158 PRESSAVG: 3377400 24.0144 5.04903 -7.90682 5.04902 0.331794 -27.3971 -7.90683 -27.397 43.4585 GPRESSAVG: 3377400 23.1304 5.00105 -10.7652 5.54572 1.76472 -28.0535 -8.47633 -24.7778 42.8442 TIMING: 3377400 CPU: 9804.29, 0.00288913/step Wall: 9804.29, 0.00288913/step, 1.3022 hours remaining, 206.488281 MB of memory in use. ENERGY: 3377400 731.8895 2152.0614 1985.9134 128.3670 -206296.3579 18070.1777 0.0000 0.0000 34338.4280 -148889.5208 299.8860 -183227.9488 -148787.6709 300.9621 27.8137 59.1773 558667.2344 22.6016 22.5798 PRESSURE: 3377600 224.082 -124.461 -206.417 -124.461 319.155 -36.8474 -206.417 -36.8477 246.54 GPRESSURE: 3377600 208.293 -110.657 -188.578 -206.497 354.807 8.67506 -229.619 -47.1396 328.797 PRESSAVG: 3377600 -13.2396 -3.67523 -4.75886 -3.67532 -9.4725 -31.7184 -4.75876 -31.7186 30.5351 GPRESSAVG: 3377600 -12.6854 -4.52239 -4.25597 -4.42662 -9.98563 -32.2852 -4.34398 -30.6833 30.6233 TIMING: 3377600 CPU: 9804.87, 0.0028984/step Wall: 9804.87, 0.0028984/step, 1.30621 hours remaining, 206.488281 MB of memory in use. ENERGY: 3377600 746.2266 2146.9701 1960.2852 123.4039 -206433.6927 18166.7050 0.0000 0.0000 34404.6961 -148885.4056 300.4648 -183290.1017 -148788.2886 300.2293 263.2588 297.2992 556591.7402 2.6077 2.6508 PRESSURE: 3377800 79.1324 -101.287 -11.4427 -101.287 128.21 -143.791 -11.4431 -143.792 -29.3287 GPRESSURE: 3377800 191.401 -118.233 -62.8662 -132.896 100.73 -117.836 -33.2761 -132.016 -26.4837 PRESSAVG: 3377800 2.32512 9.02056 -55.5198 9.02049 10.6384 -4.05659 -55.5198 -4.05653 -20.3776 GPRESSAVG: 3377800 2.61079 9.39095 -55.1663 9.56501 9.51144 -5.22615 -55.905 -5.60136 -20.0478 TIMING: 3377800 CPU: 9805.46, 0.00293256/step Wall: 9805.46, 0.00293256/step, 1.32144 hours remaining, 206.488281 MB of memory in use. ENERGY: 3377800 731.9794 2125.9920 1978.6796 111.2430 -206119.5051 17886.9488 0.0000 0.0000 34341.6425 -148943.0197 299.9141 -183284.6623 -148844.1856 300.3260 59.3379 88.5490 557808.1141 -2.4714 -2.6418 PRESSURE: 3378000 -28.2106 74.6713 13.1047 74.67 -95.6753 -15.0276 13.105 -15.0264 225.592 GPRESSURE: 3378000 -10.0154 72.2935 54.164 84.6247 -72.439 5.7909 -18.0899 -15.9371 290.241 PRESSAVG: 3378000 54.8898 -2.44621 -45.4317 -2.44631 -36.8638 21.3769 -45.4317 21.377 10.8496 GPRESSAVG: 3378000 54.0829 -2.70995 -43.1481 -2.74455 -36.4143 21.1652 -46.6751 21.2693 11.3481 TIMING: 3378000 CPU: 9806.04, 0.00290065/step Wall: 9806.04, 0.00290065/step, 1.30691 hours remaining, 206.488281 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: 3378000 741.3271 2084.8574 1974.3666 126.6734 -206293.2840 17954.5619 0.0000 0.0000 34349.2153 -149062.2822 299.9802 -183411.4976 -148966.0123 299.5786 33.9019 69.2620 556776.1750 9.6252 9.6722 PRESSURE: 3378200 22.7344 22.1478 89.5442 22.1469 -57.6614 -59.0335 89.5446 -59.0335 -32.9496 GPRESSURE: 3378200 39.0493 -25.354 6.06945 -12.1991 -34.4215 38.3906 77.1878 -97.8322 9.21616 PRESSAVG: 3378200 84.8276 -42.9952 -10.4621 -42.9952 -44.0348 -60.5221 -10.4622 -60.522 -32.4658 GPRESSAVG: 3378200 84.2276 -41.9381 -12.5017 -41.8496 -43.7352 -59.0273 -8.39602 -61.6149 -32.7475 TIMING: 3378200 CPU: 9806.62, 0.00290727/step Wall: 9806.62, 0.00290727/step, 1.30972 hours remaining, 206.488281 MB of memory in use. ENERGY: 3378200 764.7432 2069.8141 1974.6510 108.0307 -206162.7242 17720.5583 0.0000 0.0000 34583.2347 -148941.6922 302.0240 -183524.9269 -148850.6236 299.5926 -22.6255 4.6147 558302.5310 2.7757 2.5816 PRESSURE: 3378400 -325.443 181.262 100.558 181.263 -143.607 39.9068 100.557 39.9069 100.757 GPRESSURE: 3378400 -313.924 179.546 105.113 139.141 -70.3411 -16.8155 52.4547 137.022 109.825 PRESSAVG: 3378400 50.4758 34.896 -21.0727 34.8959 -29.6031 -42.6144 -21.0726 -42.6143 -25.8789 GPRESSAVG: 3378400 50.9715 37.7057 -21.6912 31.7939 -29.4226 -44.714 -22.5122 -41.7843 -26.0016 TIMING: 3378400 CPU: 9807.21, 0.00292538/step Wall: 9807.21, 0.00292538/step, 1.31772 hours remaining, 206.488281 MB of memory in use. ENERGY: 3378400 749.5840 2103.7483 1969.1890 119.0583 -206043.7453 17692.2831 0.0000 0.0000 34281.4398 -149128.4428 299.3883 -183409.8826 -149027.7030 299.9197 -122.7645 -91.4799 557010.4903 -1.6687 -1.4842 PRESSURE: 3378600 19.0919 161.811 -85.3724 161.811 156.74 120.617 -85.3728 120.618 91.3713 GPRESSURE: 3378600 113.062 121.885 -71.8558 138.676 151.429 137.655 -96.7637 97.373 93.9452 PRESSAVG: 3378600 -37.5749 13.9708 -63.0105 13.9709 16.6094 80.4177 -63.0105 80.4176 57.0285 GPRESSAVG: 3378600 -36.267 11.0794 -60.8221 16.154 15.1698 81.31 -63.9338 79.3632 57.0397 TIMING: 3378600 CPU: 9807.79, 0.00290675/step Wall: 9807.79, 0.00290675/step, 1.30917 hours remaining, 206.488281 MB of memory in use. ENERGY: 3378600 734.9060 2131.5940 1979.8133 118.2685 -206263.4369 17867.8918 0.0000 0.0000 34473.3846 -148957.5786 301.0646 -183430.9632 -148859.0459 300.0554 89.0679 119.4788 556664.2325 12.0210 11.9809 PRESSURE: 3378800 191.745 -77.6578 -52.155 -77.6582 -23.5907 121.128 -52.155 121.129 -83.6134 GPRESSURE: 3378800 147.647 -98.6983 -61.868 -42.7666 93.3914 164.448 -47.0614 128.482 -61.6595 PRESSAVG: 3378800 8.68224 47.8845 20.0498 47.8844 59.8924 16.0658 20.0498 16.0658 -2.14595 GPRESSAVG: 3378800 6.78979 48.0347 19.4866 48.5693 62.0917 17.163 20.5103 16.5255 -2.40533 TIMING: 3378800 CPU: 9808.37, 0.00292447/step Wall: 9808.37, 0.00292447/step, 1.31699 hours remaining, 206.488281 MB of memory in use. ENERGY: 3378800 751.2044 2088.2318 1970.0464 99.9607 -205935.8665 17731.4381 0.0000 0.0000 34305.7414 -148989.2437 299.6006 -183294.9852 -148891.4277 299.7498 28.1801 59.7931 556776.1785 22.1429 22.1587 PRESSURE: 3379000 280.2 -72.9532 106.954 -72.954 57.1527 -38.3025 106.954 -38.3037 0.154993 GPRESSURE: 3379000 330.371 59.1455 104.255 -59.2743 75.9034 -77.457 119.279 -48.4427 41.9641 PRESSAVG: 3379000 29.7156 -9.29657 -17.9475 -9.29658 6.19103 15.0071 -17.9474 15.0071 -12.4108 GPRESSAVG: 3379000 30.3744 -7.2537 -17.7168 -11.7983 5.72041 14.2157 -17.6561 15.2635 -12.851 TIMING: 3379000 CPU: 9808.95, 0.00289154/step Wall: 9808.95, 0.00289154/step, 1.302 hours remaining, 206.488281 MB of memory in use. ENERGY: 3379000 742.1743 2036.1044 1978.6103 105.6698 -206268.6915 17949.9207 0.0000 0.0000 34362.2122 -149093.9999 300.0937 -183456.2121 -148998.9403 299.6092 112.5025 149.4130 557216.2476 7.8319 7.7479 PRESSURE: 3379200 123.75 -49.9074 -10.7188 -49.9077 -74.7523 -85.7669 -10.7181 -85.7674 169.783 GPRESSURE: 3379200 202.975 -11.1622 52.7792 0.786553 -63.4753 22.8447 57.4482 -141.226 176.814 PRESSAVG: 3379200 17.78 3.4705 -85.4426 3.47052 40.9178 -23.7839 -85.4425 -23.7838 -1.44088 GPRESSAVG: 3379200 17.7147 0.953169 -85.9601 5.32961 40.5968 -24.4513 -83.3859 -23.1067 -0.628182 TIMING: 3379200 CPU: 9809.54, 0.00292645/step Wall: 9809.54, 0.00292645/step, 1.31755 hours remaining, 206.488281 MB of memory in use. ENERGY: 3379200 746.4959 2033.1005 1950.8712 100.4088 -206620.5731 18046.3533 0.0000 0.0000 34510.6905 -149232.6529 301.3904 -183743.3434 -149135.5738 299.5667 72.9267 105.4380 557729.3418 19.0856 19.2278 PRESSURE: 3379400 194.831 148.969 139.472 148.969 115.606 -112.016 139.471 -112.017 204.298 GPRESSURE: 3379400 269.68 178.499 118.705 92.7185 123.65 -3.98077 121.356 -166.751 212.082 PRESSAVG: 3379400 53.9227 34.9722 -10.3642 34.9723 -8.11979 24.2738 -10.3642 24.2737 -29.7047 GPRESSAVG: 3379400 54.4369 35.8559 -12.3684 34.6681 -9.10919 23.2507 -10.9917 24.4819 -29.5184 TIMING: 3379400 CPU: 9810.12, 0.00290754/step Wall: 9810.12, 0.00290754/step, 1.30888 hours remaining, 206.488281 MB of memory in use. ENERGY: 3379400 727.2352 2052.4197 1982.7216 115.6598 -206284.8520 17992.6242 0.0000 0.0000 34186.6100 -149227.5814 298.5602 -183414.1914 -149138.6995 299.1644 171.5784 201.8039 557399.9744 5.3661 5.2698 PRESSURE: 3379600 -70.2656 -57.2449 -104.227 -57.2453 -290.447 -52.9712 -104.227 -52.971 -46.9291 GPRESSURE: 3379600 -25.8687 -95.8586 -90.0783 41.5605 -235.393 -84.6914 -38.7058 -67.3627 -39.9834 PRESSAVG: 3379600 -31.1816 -35.3749 -8.21631 -35.3749 33.4378 -11.0091 -8.21628 -11.0092 21.5977 GPRESSAVG: 3379600 -32.056 -36.3426 -7.32525 -36.3722 33.9261 -7.17823 -9.87144 -12.7335 21.4465 TIMING: 3379600 CPU: 9810.7, 0.00293206/step Wall: 9810.7, 0.00293206/step, 1.31975 hours remaining, 206.488281 MB of memory in use. ENERGY: 3379600 721.1733 2155.7214 1950.9268 122.7264 -206064.9583 17637.5764 0.0000 0.0000 34390.5538 -149086.2803 300.3413 -183476.8341 -148984.5693 299.2563 -135.8807 -100.4150 559056.0162 7.9513 7.7722 PRESSURE: 3379800 -6.21285 21.1857 -135.719 21.186 -149.31 -23.9581 -135.718 -23.9591 329.384 GPRESSURE: 3379800 88.6523 17.5527 -180.124 55.7538 -137.769 39.6377 -103.723 -61.8466 316.111 PRESSAVG: 3379800 57.7254 -22.8982 -23.1013 -22.8981 -35.0533 13.2932 -23.1013 13.2931 -26.1621 GPRESSAVG: 3379800 57.8507 -20.2868 -22.5151 -23.6497 -35.6889 11.9477 -23.1454 14.1988 -26.5525 TIMING: 3379800 CPU: 9811.29, 0.00290349/step Wall: 9811.29, 0.00290349/step, 1.30673 hours remaining, 206.488281 MB of memory in use. ENERGY: 3379800 749.8973 2092.0059 1976.8978 121.1156 -206529.8776 18108.8540 0.0000 0.0000 34354.6313 -149126.4757 300.0275 -183481.1069 -149031.0934 299.4304 57.9537 88.9981 558158.3332 -1.1634 -1.4636 PRESSURE: 3380000 -40.6656 -115.943 85.136 -115.943 -82.2221 -125.043 85.1353 -125.042 -34.7131 GPRESSURE: 3380000 -6.24734 -73.9851 30.9939 -73.2735 -38.6998 -124.681 40.62 -139.081 -4.14207 PRESSAVG: 3380000 -25.1275 -12.1645 38.615 -12.1645 -13.5432 -59.987 38.6151 -59.987 31.4751 GPRESSAVG: 3380000 -26.1887 -14.2873 39.5609 -10.6527 -13.2051 -61.1346 37.3673 -59.9663 32.671 TIMING: 3380000 CPU: 9811.87, 0.0029051/step Wall: 9811.87, 0.0029051/step, 1.3073 hours remaining, 206.488281 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: 3380000 735.2828 2080.9655 1969.1335 113.7477 -206238.8158 17782.9611 0.0000 0.0000 34475.6454 -149081.0797 301.0844 -183556.7251 -148985.4561 299.8451 -52.5336 -16.3631 557035.7058 -2.3985 -2.2409 PRESSURE: 3380200 253.534 -33.9532 -158.267 -33.9536 298.946 115.045 -158.268 115.043 51.6906 GPRESSURE: 3380200 348.946 15.5654 -146.555 13.2613 297.116 67.9143 -159.802 100.756 56.9896 PRESSAVG: 3380200 106.241 -16.2994 17.9078 -16.2994 -36.2564 -33.4562 17.9079 -33.4563 -64.3975 GPRESSAVG: 3380200 106.946 -17.8365 19.0546 -13.8299 -35.4708 -33.798 18.974 -31.8304 -66.1188 TIMING: 3380200 CPU: 9812.45, 0.00290187/step Wall: 9812.45, 0.00290186/step, 1.30568 hours remaining, 206.488281 MB of memory in use. ENERGY: 3380200 737.5107 2126.1056 1947.1009 112.7558 -206285.6341 18161.3627 0.0000 0.0000 34096.8508 -149103.9475 297.7763 -183200.7983 -149011.9274 299.7696 201.3902 234.3505 557378.9035 1.8624 1.7853 LDB: ============= START OF LOAD BALANCING ============== 9815.92 LDB: ============== END OF LOAD BALANCING =============== 9815.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9815.92 LDB: ============= START OF LOAD BALANCING ============== 9816.21 LDB: Largest compute 4819 load 0.028790 is 24.4% of average load 0.117796 LDB: Average compute 0.001713 is 1.5% of average load 0.117796 LDB: TIME 9816.22 LOAD: AVG 0.117796 MAX 0.178469 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 9816.22 LOAD: AVG 0.117796 MAX 0.178469 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: TIME 9816.22 LOAD: AVG 0.117796 MAX 0.178469 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9816.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9816.22 PRESSURE: 3380400 -21.5466 21.6489 -62.3308 21.6494 -296.828 -63.6836 -62.3311 -63.6843 -122.321 GPRESSURE: 3380400 18.9126 -86.5927 -40.6439 -24.9638 -300.732 -23.1734 -161.928 -106.364 -53.828 PRESSAVG: 3380400 -1.47183 -65.5397 22.0271 -65.5398 -10.289 44.2342 22.027 44.2341 -23.086 GPRESSAVG: 3380400 -0.822146 -64.014 19.5727 -66.2748 -11.062 46.2458 22.9995 43.7924 -22.7393 TIMING: 3380400 CPU: 9813.05, 0.00300036/step Wall: 9813.05, 0.00300036/step, 1.34983 hours remaining, 205.343750 MB of memory in use. ENERGY: 3380400 732.2006 2072.3135 1975.3183 111.0721 -205866.7957 17628.1074 0.0000 0.0000 34313.8837 -149033.9001 299.6717 -183347.7839 -148935.0706 299.7441 -146.8985 -111.8825 558047.4642 -11.6156 -11.5411 PRESSURE: 3380600 -181.94 -74.7674 128.12 -74.7685 175.04 59.01 128.12 59.0098 -124.535 GPRESSURE: 3380600 -149.435 -47.2233 53.6421 -153.83 185.455 69.4418 118.528 80.2155 -71.8534 PRESSAVG: 3380600 -45.5669 -32.5015 -15.7998 -32.5014 8.46961 35.8517 -15.7998 35.8517 79.1572 GPRESSAVG: 3380600 -47.2608 -31.5474 -13.7878 -34.3072 8.427 32.1999 -15.1743 37.6959 80.8026 TIMING: 3380600 CPU: 9813.63, 0.00293198/step Wall: 9813.63, 0.00293198/step, 1.3189 hours remaining, 205.343750 MB of memory in use. ENERGY: 3380600 771.0929 2088.6301 1977.6744 116.8244 -205759.6178 17573.5729 0.0000 0.0000 34205.5211 -149026.3022 298.7253 -183231.8232 -148938.0551 300.1992 -43.8117 -11.9445 559001.1399 14.0199 13.9896 PRESSURE: 3380800 88.0332 -80.0485 -114.321 -80.0492 -169.314 12.5147 -114.324 12.5175 -138.474 GPRESSURE: 3380800 95.8721 -65.8325 -93.6746 -51.5056 -119.923 -11.427 -120.739 13.8564 -92.4314 PRESSAVG: 3380800 -84.4406 -4.97988 20.6053 -4.97993 83.4964 -18.3333 20.6054 -18.3334 2.61858 GPRESSAVG: 3380800 -82.6405 -5.79888 20.1613 -2.12993 83.4636 -16.9046 21.0731 -19.4105 1.26657 TIMING: 3380800 CPU: 9814.22, 0.00293416/step Wall: 9814.22, 0.00293416/step, 1.31972 hours remaining, 205.343750 MB of memory in use. ENERGY: 3380800 725.2781 2098.1118 1984.6404 109.8391 -205821.9859 17590.4616 0.0000 0.0000 34205.9188 -149107.7361 298.7288 -183313.6549 -149007.5073 298.8887 -73.2517 -38.8274 559191.1817 0.5581 0.6966 PRESSURE: 3381000 34.2301 -27.6336 -93.4434 -27.6332 -209.818 -75.2071 -93.444 -75.2073 -58.7757 GPRESSURE: 3381000 70.5356 21.6059 -153.199 -86.7484 -216.029 -19.0309 -66.6475 -97.088 20.3976 PRESSAVG: 3381000 2.20838 4.48582 15.6837 4.48572 -10.022 6.4266 15.6837 6.42656 34.7684 GPRESSAVG: 3381000 3.05328 4.55724 15.8385 4.0464 -11.1509 6.37283 15.0448 3.93875 35.6214 TIMING: 3381000 CPU: 9814.81, 0.0029304/step Wall: 9814.81, 0.0029304/step, 1.31787 hours remaining, 205.406250 MB of memory in use. ENERGY: 3381000 746.4724 2016.5508 1971.4699 117.2386 -206377.3518 18027.1307 0.0000 0.0000 34324.3655 -149174.1237 299.7632 -183498.4893 -149074.8451 298.7935 -78.1212 -41.6986 557580.5287 8.9849 9.1746 PRESSURE: 3381200 -28.5666 -26.8032 -184.61 -26.8044 -222.271 -89.6029 -184.611 -89.6009 -203.359 GPRESSURE: 3381200 2.56214 -118.345 -137.515 -19.9055 -188.16 -0.334305 -138.044 -154.023 -173.234 PRESSAVG: 3381200 -41.8681 -2.74138 -10.2233 -2.74136 27.5835 -7.84822 -10.2233 -7.84827 -23.4105 GPRESSAVG: 3381200 -43.145 -3.83165 -10.2701 -4.61211 28.1314 -5.36886 -11.2937 -6.41221 -22.7722 TIMING: 3381200 CPU: 9815.39, 0.00294362/step Wall: 9815.39, 0.00294362/step, 1.32365 hours remaining, 205.406250 MB of memory in use. ENERGY: 3381200 755.2520 2053.4489 1974.3431 114.6110 -205784.3723 17527.8505 0.0000 0.0000 34313.3364 -149045.5303 299.6669 -183358.8668 -148951.1395 299.9307 -151.3987 -119.6106 557325.4216 -12.5650 -12.5953 PRESSURE: 3381400 187.264 15.3045 168.47 15.3038 20.6206 108.18 168.471 108.181 -97.6061 GPRESSURE: 3381400 263.161 -2.09561 198.179 56.9432 32.5028 116.554 230.168 31.341 -80.2553 PRESSAVG: 3381400 -1.16532 -33.3451 34.4841 -33.3451 5.39064 -31.3166 34.4842 -31.3166 30.9796 GPRESSAVG: 3381400 0.907213 -33.1616 33.1052 -33.1853 4.59558 -33.1499 35.9619 -30.6641 29.984 TIMING: 3381400 CPU: 9815.98, 0.00290822/step Wall: 9815.98, 0.00290822/step, 1.30757 hours remaining, 205.406250 MB of memory in use. ENERGY: 3381400 724.5385 2075.7770 1974.2328 115.0607 -206231.5305 17958.8471 0.0000 0.0000 34273.0536 -149110.0209 299.3151 -183383.0745 -149008.7309 299.6181 36.7596 71.8029 558556.7917 11.7350 11.8289 PRESSURE: 3381600 27.2042 107.193 -134.837 107.194 27.852 -203.956 -134.837 -203.955 -150.204 GPRESSURE: 3381600 56.4578 62.8591 -149.949 171.795 55.392 -116.01 -139.359 -259.398 -105.623 PRESSAVG: 3381600 28.4502 -20.524 -26.1833 -20.5239 31.4975 -3.4182 -26.1833 -3.41825 -113.078 GPRESSAVG: 3381600 27.3505 -21.4407 -24.4296 -21.4481 31.7968 -3.62771 -28.0443 -4.09265 -112.871 TIMING: 3381600 CPU: 9816.55, 0.0028868/step Wall: 9816.55, 0.0028868/step, 1.29778 hours remaining, 205.406250 MB of memory in use. ENERGY: 3381600 742.4346 2018.2858 1953.8359 121.0926 -206258.0878 17822.4530 0.0000 0.0000 34341.8597 -149258.1262 299.9160 -183599.9858 -149152.6905 299.2311 -31.7159 2.0757 557274.3237 -17.7102 -17.9079 PRESSURE: 3381800 -76.0457 -104.417 105.818 -104.417 -79.4787 62.4622 105.817 62.4618 -178.175 GPRESSURE: 3381800 -56.8367 -45.5276 35.7156 -22.1399 -42.0757 133.173 131.527 45.9553 -144.973 PRESSAVG: 3381800 78.8329 -31.7962 22.4704 -31.7961 -9.94342 -9.92782 22.4704 -9.92781 -48.9759 GPRESSAVG: 3381800 77.8875 -30.0191 21.7591 -31.3509 -9.4469 -9.45088 22.2809 -10.1919 -48.4862 TIMING: 3381800 CPU: 9817.14, 0.00290735/step Wall: 9817.14, 0.00290735/step, 1.30685 hours remaining, 205.406250 MB of memory in use. ENERGY: 3381800 730.7779 2067.9065 1987.1901 121.0024 -205796.2941 17590.2601 0.0000 0.0000 33949.4737 -149349.6832 296.4892 -183299.1569 -149251.1957 299.1105 -111.2332 -81.2952 558802.4604 6.6379 6.6515 PRESSURE: 3382000 136.76 -85.9303 -53.4895 -85.9304 -135.232 -24.5677 -53.4889 -24.568 -74.852 GPRESSURE: 3382000 101.74 -51.0164 -145.266 -165.996 -31.2998 -22.6707 -69.3804 -116.382 -43.6367 PRESSAVG: 3382000 22.9243 -41.4265 -55.8971 -41.4266 15.2803 -9.37971 -55.8971 -9.37967 -32.8495 GPRESSAVG: 3382000 22.9675 -42.2072 -56.1108 -41.6823 14.7047 -10.8633 -55.7751 -10.1673 -32.0284 TIMING: 3382000 CPU: 9817.72, 0.00294233/step Wall: 9817.72, 0.00294233/step, 1.32241 hours remaining, 205.406250 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: 3382000 750.6199 2101.5216 1980.5580 108.2784 -206475.2327 17837.7553 0.0000 0.0000 34249.4195 -149447.0800 299.1087 -183696.4996 -149350.2890 298.3631 -24.4415 8.9345 557285.6520 1.7850 1.8812 PRESSURE: 3382200 -273.582 -53.7735 22.6809 -53.7741 177.377 11.3429 22.6789 11.3456 -23.4908 GPRESSURE: 3382200 -237.996 -146.838 121.398 -44.4437 200.601 3.86905 -55.6031 10.5539 15.7277 PRESSAVG: 3382200 6.80417 -8.55092 8.59863 -8.55097 -17.5191 -1.15254 8.59868 -1.15255 14.7119 GPRESSAVG: 3382200 8.24184 -7.46976 11.3415 -6.03852 -17.9848 0.499627 8.75371 -0.869746 13.4939 TIMING: 3382200 CPU: 9818.31, 0.00291534/step Wall: 9818.31, 0.00291534/step, 1.31012 hours remaining, 205.406250 MB of memory in use. ENERGY: 3382200 779.0988 2099.5337 1959.1348 126.8755 -206453.1299 17812.7297 0.0000 0.0000 34160.0337 -149515.7237 298.3281 -183675.7574 -149422.1987 298.8138 -39.8987 -7.2223 557860.7617 1.3323 1.2503 PRESSURE: 3382400 40.2281 -8.24621 -75.9856 -8.24624 182.044 -80.0125 -75.9864 -80.0131 -57.0088 GPRESSURE: 3382400 96.9775 -58.1998 -93.768 76.0357 187.382 -146.299 -144.674 -113.312 -12.6563 PRESSAVG: 3382400 -25.0988 -0.168909 -65.5244 -0.168872 16.7145 -17.0296 -65.5244 -17.0296 15.086 GPRESSAVG: 3382400 -26.3345 0.86541 -68.9528 -1.73317 16.9309 -17.7992 -63.1032 -15.6619 16.2855 TIMING: 3382400 CPU: 9818.89, 0.00290392/step Wall: 9818.89, 0.00290392/step, 1.30483 hours remaining, 205.406250 MB of memory in use. ENERGY: 3382400 739.6701 2105.4759 1965.2475 101.9304 -206601.8961 18006.1940 0.0000 0.0000 34098.4337 -149584.9446 297.7901 -183683.3783 -149490.6965 298.4409 55.0879 90.5677 556903.8320 2.2339 2.2939 PRESSURE: 3382600 19.3157 83.4394 -121.45 83.4393 -205.443 -138.515 -121.449 -138.515 -40.7976 GPRESSURE: 3382600 26.7138 -0.753946 -17.5456 90.5646 -161.185 -152.239 -121.765 -115.651 5.51333 PRESSAVG: 3382600 -28.1974 54.9901 -13.6964 54.9901 11.0313 -9.17265 -13.6966 -9.17271 36.0778 GPRESSAVG: 3382600 -28.2619 53.8764 -13.9952 55.3958 9.92573 -8.83575 -15.6511 -11.3371 36.663 TIMING: 3382600 CPU: 9819.47, 0.00288971/step Wall: 9819.47, 0.00288971/step, 1.29828 hours remaining, 205.406250 MB of memory in use. ENERGY: 3382600 690.1835 2130.5118 1989.3224 125.9922 -206139.7089 17611.2220 0.0000 0.0000 34124.0072 -149468.4698 298.0134 -183592.4770 -149374.0135 298.2753 -75.6417 -42.9860 557188.9927 6.3039 6.1089 PRESSURE: 3382800 -224.192 -26.7832 13.7208 -26.7822 -122.981 101.131 13.7221 101.132 -144.713 GPRESSURE: 3382800 -180.197 -6.60252 11.7512 -14.3639 -97.0786 144.884 18.168 35.3766 -121.223 PRESSAVG: 3382800 -45.8969 10.9368 19.5927 10.9368 14.745 -33.1093 19.5927 -33.1094 46.0675 GPRESSAVG: 3382800 -45.5087 10.9557 21.573 12.5731 14.3514 -34.4766 20.0335 -30.1614 46.2198 TIMING: 3382800 CPU: 9820.05, 0.00290066/step Wall: 9820.05, 0.00290066/step, 1.30304 hours remaining, 205.406250 MB of memory in use. ENERGY: 3382800 724.4443 2095.4094 1961.3732 114.2530 -206249.4056 17621.6953 0.0000 0.0000 34230.3710 -149501.8595 298.9423 -183732.2305 -149402.7788 298.3704 -163.9624 -132.8328 557596.4509 4.9719 5.0208 PRESSURE: 3383000 -143.429 -117.627 -14.7313 -117.626 -71.0463 -54.1177 -14.7304 -54.1187 20.3516 GPRESSURE: 3383000 -146.975 -70.2691 -8.53997 -160.934 31.7969 29.3921 41.6969 -71.0226 19.9794 PRESSAVG: 3383000 6.65279 -35.8183 29.5508 -35.8183 25.2822 81.3248 29.5508 81.3248 -7.03857 GPRESSAVG: 3383000 6.59133 -38.3569 28.1931 -35.5421 27.1919 81.1813 31.5285 80.0156 -9.64114 TIMING: 3383000 CPU: 9820.63, 0.00291422/step Wall: 9820.63, 0.00291422/step, 1.30897 hours remaining, 205.406250 MB of memory in use. ENERGY: 3383000 755.8614 2107.7500 1958.7830 112.4305 -206489.2643 17820.5453 0.0000 0.0000 34176.1102 -149557.7840 298.4685 -183733.8942 -149471.5536 298.1270 -64.7079 -31.7330 556960.0024 8.2988 8.0474 PRESSURE: 3383200 176.983 -86.36 -44.1878 -86.3599 -173.541 148.726 -44.1868 148.727 -49.2196 GPRESSURE: 3383200 233.815 -114.54 -103.446 -99.4787 -148.295 89.9705 -35.026 213.673 -42.8747 PRESSAVG: 3383200 -12.5781 14.1368 2.85553 14.1367 -35.6991 32.7172 2.85546 32.7173 42.6576 GPRESSAVG: 3383200 -12.5395 18.4645 3.57152 11.0005 -36.6394 32.1218 -0.255274 32.2289 43.8238 TIMING: 3383200 CPU: 9821.21, 0.00288991/step Wall: 9821.21, 0.0028899/step, 1.29789 hours remaining, 205.406250 MB of memory in use. ENERGY: 3383200 778.5442 2065.4497 1967.6048 115.5200 -206541.3941 17905.6940 0.0000 0.0000 34315.3409 -149393.2405 299.6844 -183708.5813 -149306.6316 299.1624 -15.2590 14.2152 556590.8945 -1.8732 -1.7850 PRESSURE: 3383400 63.7708 69.0296 25.3041 69.0298 -26.7673 -14.108 25.3038 -14.108 233.462 GPRESSURE: 3383400 74.3342 124.437 0.550124 80.6741 -11.4682 58.3294 -24.8451 45.427 285.319 PRESSAVG: 3383400 -1.94013 64.4002 -0.33708 64.4002 -23.1969 -19.4448 -0.337116 -19.4449 32.9566 GPRESSAVG: 3383400 -1.43424 63.8052 2.11159 63.2199 -23.4328 -18.7074 -0.880824 -17.9179 32.6376 TIMING: 3383400 CPU: 9821.78, 0.00286993/step Wall: 9821.78, 0.00286993/step, 1.28876 hours remaining, 205.468750 MB of memory in use. ENERGY: 3383400 710.1780 2106.2176 1960.9458 117.3216 -206549.4024 17963.3596 0.0000 0.0000 34310.4585 -149380.9213 299.6418 -183691.3797 -149282.8118 298.7527 90.1553 116.0617 556976.6786 2.6065 2.5902 PRESSURE: 3383600 -80.1644 148.981 -112.48 148.982 -167.429 3.58707 -112.48 3.58755 -216.578 GPRESSURE: 3383600 -67.4591 179.497 -157.126 49.0702 -169.214 54.1518 -60.525 -30.5239 -138.981 PRESSAVG: 3383600 -39.8977 14.4559 -1.76469 14.456 -2.21636 -7.06035 -1.76472 -7.06031 71.7512 GPRESSAVG: 3383600 -39.1689 15.9526 -4.69281 14.9985 -2.15385 -6.5019 0.95165 -8.20193 71.0982 TIMING: 3383600 CPU: 9822.36, 0.00291244/step Wall: 9822.36, 0.00291244/step, 1.30768 hours remaining, 205.468750 MB of memory in use. ENERGY: 3383600 748.2620 2132.1329 1943.4412 96.6781 -206290.4947 17881.5365 0.0000 0.0000 34123.5177 -149364.9263 298.0092 -183488.4440 -149269.8751 298.7690 -154.7239 -125.2181 558745.9144 9.8791 9.9251 PRESSURE: 3383800 294.759 59.8618 83.5492 59.861 -15.5537 -48.3525 83.55 -48.3517 -168.66 GPRESSURE: 3383800 362.949 95.6704 73.7828 1.75084 12.267 -85.7722 93.2605 7.41317 -172.459 PRESSAVG: 3383800 71.6571 27.2695 -19.4484 27.2694 -10.982 -18.117 -19.4485 -18.117 -56.1653 GPRESSAVG: 3383800 70.466 25.4614 -17.0204 29.3252 -10.3859 -18.1844 -20.6165 -19.3435 -55.775 TIMING: 3383800 CPU: 9822.94, 0.00287506/step Wall: 9822.94, 0.00287506/step, 1.29074 hours remaining, 205.468750 MB of memory in use. ENERGY: 3383800 743.8782 2096.0399 1947.5495 109.5351 -206273.2781 17992.3159 0.0000 0.0000 34115.6936 -149268.2659 297.9408 -183383.9595 -149177.3479 299.2503 36.8485 67.5855 558683.9459 1.5032 1.4351 PRESSURE: 3384000 -103.56 -69.6663 8.41965 -69.6659 -300.007 -84.6825 8.42036 -84.6809 -53.1007 GPRESSURE: 3384000 -110.298 62.6535 -0.484684 -135.857 -239.89 -74.891 -22.1893 -56.4918 -18.5397 PRESSAVG: 3384000 67.4294 38.0814 39.8194 38.0814 -79.7651 31.9867 39.8194 31.9867 -3.93407 GPRESSAVG: 3384000 67.6665 37.3426 37.9691 38.2065 -79.7251 31.21 38.5214 33.4872 -3.95206 TIMING: 3384000 CPU: 9823.52, 0.00291304/step Wall: 9823.52, 0.00291304/step, 1.30763 hours remaining, 205.468750 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: 3384000 758.4897 2115.7656 1941.1808 113.8719 -206159.6572 17647.1169 0.0000 0.0000 34399.2388 -149183.9935 300.4171 -183583.2323 -149078.3234 298.8968 -152.2226 -122.9091 558838.3048 -5.4232 -5.3369 PRESSURE: 3384200 -105.123 -2.45845 -108.505 -2.45869 22.0578 14.4204 -108.506 14.4198 -10.9164 GPRESSURE: 3384200 -64.1574 -45.0531 -152.926 38.894 57.2015 94.0204 -101.723 -33.4664 1.74304 PRESSAVG: 3384200 1.34481 -14.0202 50.9135 -14.0201 -29.9325 -34.8807 50.9134 -34.8807 41.888 GPRESSAVG: 3384200 0.851006 -12.6291 51.9354 -14.1431 -29.6722 -34.0396 51.9514 -35.5692 42.323 TIMING: 3384200 CPU: 9824.1, 0.00290292/step Wall: 9824.1, 0.00290292/step, 1.30293 hours remaining, 205.468750 MB of memory in use. ENERGY: 3384200 726.5308 2107.6633 1950.9181 111.7725 -205971.4674 17717.5332 0.0000 0.0000 34424.4319 -148932.6176 300.6371 -183357.0495 -148839.2034 300.1387 -31.3273 -1.7376 559007.9858 4.4334 4.5006 LDB: ============= START OF LOAD BALANCING ============== 9827.57 LDB: ============== END OF LOAD BALANCING =============== 9827.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9827.57 LDB: ============= START OF LOAD BALANCING ============== 9827.86 LDB: Largest compute 4820 load 0.028958 is 24.6% of average load 0.117860 LDB: Average compute 0.001713 is 1.5% of average load 0.117860 LDB: TIME 9827.86 LOAD: AVG 0.11786 MAX 0.179252 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.617 MB LDB: TIME 9827.86 LOAD: AVG 0.11786 MAX 0.179252 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: TIME 9827.86 LOAD: AVG 0.11786 MAX 0.179252 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9827.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9827.87 PRESSURE: 3384400 -506.142 -132.749 -27.3069 -132.75 -74.6191 38.6653 -27.306 38.6658 -97.2055 GPRESSURE: 3384400 -427.359 -138.513 -6.6063 -88.6768 -79.6461 95.4083 -40.1645 21.6336 -64.1393 PRESSAVG: 3384400 -5.21 -32.1287 -10.5016 -32.1288 2.98713 -15.3061 -10.5016 -15.3061 42.4304 GPRESSAVG: 3384400 -4.00842 -33.6992 -11.1775 -33.17 3.87662 -16.2794 -10.9715 -14.9852 40.0973 TIMING: 3384400 CPU: 9824.69, 0.0029564/step Wall: 9824.69, 0.0029564/step, 1.32677 hours remaining, 206.082031 MB of memory in use. ENERGY: 3384400 726.0689 2037.5149 1972.1877 124.3378 -205664.2768 17527.6441 0.0000 0.0000 34212.6213 -149063.9021 298.7873 -183276.5234 -148967.5068 299.9565 -225.9889 -190.3815 558816.4983 13.4025 13.3218 PRESSURE: 3384600 147.713 -14.0108 143.176 -14.0122 -47.2869 42.6064 143.176 42.6047 -518.814 GPRESSURE: 3384600 171.479 -91.4829 154.083 41.1161 -15.9477 42.7167 183.151 25.7244 -478.179 PRESSAVG: 3384600 14.555 -7.46525 14.2849 -7.46524 -7.83263 -17.9994 14.285 -17.9994 20.0092 GPRESSAVG: 3384600 14.6614 -7.73873 15.3959 -5.57931 -9.33544 -17.3314 14.8539 -19.5291 21.4034 TIMING: 3384600 CPU: 9825.28, 0.00291643/step Wall: 9825.28, 0.00291643/step, 1.30867 hours remaining, 206.285156 MB of memory in use. ENERGY: 3384600 761.5741 2069.8924 1948.2186 112.8502 -205907.4766 17715.1968 0.0000 0.0000 34052.2700 -149247.4746 297.3869 -183299.7446 -149158.8606 299.5086 -139.4626 -107.5491 558465.7871 8.9105 8.9098 PRESSURE: 3384800 106.743 -184.735 -5.26956 -184.734 -22.1409 25.3983 -5.26895 25.3989 -26.5814 GPRESSURE: 3384800 156.289 -185.112 25.9679 -261.206 -41.3092 3.5911 -128.786 -26.214 39.6308 PRESSAVG: 3384800 2.64439 -0.152407 58.2615 -0.152486 60.5069 10.9985 58.2616 10.9985 -70.1471 GPRESSAVG: 3384800 2.81676 0.860492 57.7425 -1.88659 58.7713 10.678 56.6586 12.5237 -68.4366 TIMING: 3384800 CPU: 9825.86, 0.00291042/step Wall: 9825.86, 0.00291042/step, 1.30581 hours remaining, 206.285156 MB of memory in use. ENERGY: 3384800 733.9037 2131.5254 1970.3082 110.7919 -206473.9755 18000.4734 0.0000 0.0000 34202.3614 -149324.6115 298.6977 -183526.9729 -149233.1027 299.0139 19.3401 51.5370 558424.5925 -2.3320 -2.2829 PRESSURE: 3385000 -131.562 -112.434 36.4997 -112.433 -149.36 -119.06 36.4999 -119.058 44.1442 GPRESSURE: 3385000 -64.293 -92.0837 121.038 -134.738 -125.309 -101.741 -16.645 -207.844 47.2701 PRESSAVG: 3385000 -19.9131 -94.1312 22.6409 -94.1312 42.6065 -13.4742 22.6409 -13.4741 4.07805 GPRESSAVG: 3385000 -20.0717 -93.7035 22.6276 -95.7061 44.6224 -13.8626 23.4746 -14.2047 2.50457 TIMING: 3385000 CPU: 9826.44, 0.00289709/step Wall: 9826.44, 0.00289709/step, 1.29967 hours remaining, 206.285156 MB of memory in use. ENERGY: 3385000 746.4911 2070.3183 1970.0982 114.6887 -206358.6891 17780.0431 0.0000 0.0000 34410.4842 -149266.5655 300.5153 -183677.0497 -149174.1837 299.4195 -78.9259 -47.4441 558685.4457 8.9238 9.0184 PRESSURE: 3385200 113.684 13.35 -15.1112 13.349 -15.1135 84.2106 -15.1104 84.2108 204.303 GPRESSURE: 3385200 164.729 47.3752 -34.6845 22.7207 0.259736 101.199 -20.8533 58.2045 225.317 PRESSAVG: 3385200 -9.6655 -38.1927 -20.4914 -38.1926 -21.9829 27.5455 -20.4914 27.5456 50.2947 GPRESSAVG: 3385200 -10.6124 -40.3162 -19.2349 -35.5129 -21.6763 26.4276 -21.2579 29.7517 50.7853 TIMING: 3385200 CPU: 9827.02, 0.00290716/step Wall: 9827.02, 0.00290716/step, 1.30402 hours remaining, 206.285156 MB of memory in use. ENERGY: 3385200 746.1308 2091.5681 1958.9374 96.6934 -206612.9658 18007.6719 0.0000 0.0000 34445.0521 -149266.9122 300.8172 -183711.9643 -149171.3472 299.2980 100.9578 130.1021 556584.4711 6.2154 6.1655 PRESSURE: 3385400 216.928 -168.246 145.518 -168.246 4.03566 53.0813 145.517 53.0817 -77.5405 GPRESSURE: 3385400 241.846 -225.701 175.774 -115.219 -8.16236 63.0029 64.0729 77.0789 0.0883103 PRESSAVG: 3385400 -47.5681 -71.9274 -4.81375 -71.9274 -8.12357 51.5165 -4.81384 51.5166 11.8539 GPRESSAVG: 3385400 -47.0987 -71.6384 -4.78144 -73.2438 -7.9795 53.9235 -4.71167 50.0199 11.229 TIMING: 3385400 CPU: 9827.6, 0.00289478/step Wall: 9827.6, 0.00289478/step, 1.29831 hours remaining, 206.285156 MB of memory in use. ENERGY: 3385400 777.9776 2055.0730 1969.2050 117.5905 -206227.8261 17782.0897 0.0000 0.0000 34153.3543 -149372.5359 298.2697 -183525.8902 -149276.0536 299.4506 47.8077 77.9241 557047.1730 -14.6126 -14.6164 PRESSURE: 3385600 55.6085 -258.454 0.288709 -258.453 -54.7802 -1.94411 0.287787 -1.94246 -187.421 GPRESSURE: 3385600 78.1459 -188.112 -7.46131 -251.253 -43.9633 8.32938 -10.7132 10.709 -132.059 PRESSAVG: 3385600 8.92144 -77.3731 69.2869 -77.3731 -10.4372 50.1101 69.2868 50.1102 -6.51296 GPRESSAVG: 3385600 9.40623 -73.6831 68.5365 -78.7973 -10.9697 51.0735 72.4304 48.6716 -6.30599 TIMING: 3385600 CPU: 9828.19, 0.00294486/step Wall: 9828.19, 0.00294486/step, 1.32061 hours remaining, 206.285156 MB of memory in use. ENERGY: 3385600 776.5373 2041.6650 1919.4360 118.2202 -206090.0329 17641.2019 0.0000 0.0000 34047.3792 -149545.5933 297.3442 -183592.9725 -149452.9895 297.7780 -62.1976 -32.6254 557835.8023 -2.6762 -2.6232 PRESSURE: 3385800 -103.728 -146.895 101.04 -146.894 -56.5277 -138.754 101.041 -138.755 174.774 GPRESSURE: 3385800 -131.599 -107.757 42.5821 -94.1273 34.3416 -120.823 42.2936 -136.171 203.827 PRESSAVG: 3385800 13.2767 -58.1765 15.5077 -58.1765 17.5826 43.1386 15.5076 43.1387 -15.0282 GPRESSAVG: 3385800 11.9249 -61.5569 14.1 -58.4229 18.3751 41.0027 13.8248 44.3378 -14.1634 TIMING: 3385800 CPU: 9828.77, 0.00291149/step Wall: 9828.77, 0.00291149/step, 1.30548 hours remaining, 206.285156 MB of memory in use. ENERGY: 3385800 743.0977 2054.9851 1954.1252 113.6465 -206648.8010 17938.2527 0.0000 0.0000 34116.6205 -149728.0733 297.9489 -183844.6938 -149632.0498 297.6747 4.8396 35.5232 557477.8235 5.2770 5.3789 PRESSURE: 3386000 -445.99 31.8944 86.6034 31.8951 -106.031 116.498 86.6022 116.498 -24.0383 GPRESSURE: 3386000 -377.598 24.4012 180.374 42.658 -76.8768 76.9582 20.1246 161.406 -14.462 PRESSAVG: 3386000 -37.5361 2.07683 1.85388 2.0767 25.4009 26.1369 1.85379 26.137 -0.306086 GPRESSAVG: 3386000 -36.063 2.61244 1.82416 0.465404 25.5647 25.9977 1.46147 28.0064 -1.45542 TIMING: 3386000 CPU: 9829.35, 0.00288783/step Wall: 9829.35, 0.00288783/step, 1.29471 hours remaining, 206.285156 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: 3386000 737.3712 2124.3464 1949.2825 114.4542 -206230.1170 17672.3866 0.0000 0.0000 33993.3484 -149638.9277 296.8724 -183632.2760 -149540.3867 298.1081 -192.0200 -156.3121 557870.5229 -4.1471 -3.9846 PRESSURE: 3386200 -99.8169 -98.2537 153.201 -98.2535 -111.128 -55.7605 153.201 -55.7604 164.199 GPRESSURE: 3386200 -48.9086 -130.483 178.421 -14.9242 -72.8762 -111.983 102.828 -2.70911 169.807 PRESSAVG: 3386200 -63.1854 -28.8349 53.6773 -28.8351 22.5074 23.3816 53.6773 23.3816 31.9711 GPRESSAVG: 3386200 -63.7386 -29.9143 54.4778 -25.7917 22.4495 23.3747 52.7688 20.7641 32.8153 TIMING: 3386200 CPU: 9829.92, 0.00288229/step Wall: 9829.92, 0.00288229/step, 1.29207 hours remaining, 206.285156 MB of memory in use. ENERGY: 3386200 695.2319 2066.1912 1936.1259 108.7580 -206286.1564 17791.0966 0.0000 0.0000 34049.6144 -149639.1384 297.3638 -183688.7528 -149552.7618 298.5332 -15.5820 16.0074 557796.9454 -2.9023 -2.8246 PRESSURE: 3386400 127.235 -25.9712 -41.1619 -25.9703 21.9484 1.96575 -41.162 1.96498 114.669 GPRESSURE: 3386400 160.572 -79.1122 -13.1157 47.0743 53.9895 -119.392 -142.814 29.4633 149.68 PRESSAVG: 3386400 -47.4366 -34.2219 44.5812 -34.222 15.1098 -21.5234 44.5811 -21.5234 25.9383 GPRESSAVG: 3386400 -47.6975 -33.3294 45.8721 -33.3611 16.048 -20.6608 44.0029 -22.2895 25.5227 TIMING: 3386400 CPU: 9830.5, 0.00288799/step Wall: 9830.5, 0.00288799/step, 1.29446 hours remaining, 206.460938 MB of memory in use. ENERGY: 3386400 699.0257 2116.1524 1976.0549 120.0006 -206408.7555 17874.0632 0.0000 0.0000 33885.0171 -149738.4415 295.9263 -183623.4586 -149647.2327 297.7307 87.9508 121.4140 557242.4463 -2.1295 -2.0423 PRESSURE: 3386600 -147.62 67.8987 81.1922 67.899 -107.714 82.0424 81.1917 82.0406 -287.62 GPRESSURE: 3386600 -134.34 -44.5737 28.3182 85.9138 -39.1577 39.0188 75.1025 172.825 -269.662 PRESSAVG: 3386600 -37.6804 6.25523 -36.2362 6.25518 16.8344 -11.3416 -36.2362 -11.3416 40.8783 GPRESSAVG: 3386600 -36.2925 6.00634 -38.2853 1.99144 17.2226 -10.9443 -36.2182 -11.3473 39.9796 TIMING: 3386600 CPU: 9831.08, 0.00289426/step Wall: 9831.08, 0.00289426/step, 1.29711 hours remaining, 206.460938 MB of memory in use. ENERGY: 3386600 773.2293 2092.6634 1968.1019 100.2276 -206362.0287 17651.6973 0.0000 0.0000 34124.2190 -149651.8902 298.0153 -183776.1092 -149555.4785 297.0268 -180.9848 -147.7198 556893.4150 6.6774 6.9699 PRESSURE: 3386800 98.9132 46.7774 -6.64025 46.7782 -169.255 -17.0721 -6.64143 -17.072 64.6286 GPRESSURE: 3386800 118.655 43.3337 -58.3139 64.3686 -147.363 -33.2634 -24.2633 -105.771 126.163 PRESSAVG: 3386800 6.39253 -30.5466 -29.0843 -30.5465 13.1741 10.221 -29.0844 10.2209 -37.1829 GPRESSAVG: 3386800 6.07376 -29.5754 -29.9533 -28.7689 12.7243 10.6904 -26.224 10.3388 -36.758 TIMING: 3386800 CPU: 9831.66, 0.00289114/step Wall: 9831.66, 0.00289114/step, 1.29555 hours remaining, 206.460938 MB of memory in use. ENERGY: 3386800 761.4035 2042.2126 1946.4866 117.5841 -206704.5989 17995.8298 0.0000 0.0000 34201.9086 -149639.1737 298.6938 -183841.0823 -149544.4276 298.0897 -1.9044 32.4851 555743.7807 -5.8721 -5.9867 PRESSURE: 3387000 -445.691 -31.6222 -133.473 -31.6221 -213.346 26.2869 -133.472 26.2874 -75.4554 GPRESSURE: 3387000 -422.379 -50.8453 -110.841 -118.402 -184.622 3.95717 -76.2872 78.8484 -25.256 PRESSAVG: 3387000 27.5 9.22214 23.8588 9.22202 59.4721 5.19052 23.8589 5.19066 -67.1225 GPRESSAVG: 3387000 28.7355 7.10652 24.3198 9.37125 58.3348 3.24314 23.3282 6.80491 -66.1639 TIMING: 3387000 CPU: 9832.23, 0.00287803/step Wall: 9832.23, 0.00287803/step, 1.28952 hours remaining, 206.460938 MB of memory in use. ENERGY: 3387000 740.9849 2115.6379 1966.0749 121.7183 -206161.6620 17670.9581 0.0000 0.0000 34081.0212 -149465.2667 297.6380 -183546.2879 -149367.6927 298.2741 -244.8309 -210.7525 558538.1097 6.6165 6.9688 PRESSURE: 3387200 -289.049 140.185 81.6731 140.185 33.3268 -154.756 81.6725 -154.753 -41.6765 GPRESSURE: 3387200 -287.031 74.2516 56.7521 245.524 18.0239 -175.384 83.896 -172.664 59.2389 PRESSAVG: 3387200 6.08185 -15.2385 -1.6125 -15.2385 51.6799 13.7917 -1.61247 13.7918 -47.8242 GPRESSAVG: 3387200 4.93946 -13.7553 -0.975823 -14.1724 52.664 15.4416 -0.483052 10.6836 -47.5776 TIMING: 3387200 CPU: 9832.81, 0.00288629/step Wall: 9832.81, 0.00288629/step, 1.29306 hours remaining, 206.460938 MB of memory in use. ENERGY: 3387200 727.3945 2053.5505 1961.4025 107.3140 -206094.3670 17620.8614 0.0000 0.0000 34035.2254 -149588.6186 297.2381 -183623.8440 -149492.6305 297.8871 -99.1330 -69.9228 557696.1690 3.3125 3.3420 PRESSURE: 3387400 29.3807 -138.092 -132.46 -138.092 76.0265 -65.6733 -132.461 -65.6737 59.9179 GPRESSURE: 3387400 19.6036 -109.554 -168.315 -255.185 167 -23.3448 -124.18 -31.3024 70.4845 PRESSAVG: 3387400 -2.19868 -25.9585 5.50458 -25.9586 85.9653 49.6699 5.50459 49.6699 -73.3004 GPRESSAVG: 3387400 -2.51268 -27.0696 5.99211 -27.8956 86.4991 49.7365 4.88191 52.1256 -73.6813 TIMING: 3387400 CPU: 9833.39, 0.0028819/step Wall: 9833.39, 0.0028819/step, 1.29093 hours remaining, 206.460938 MB of memory in use. ENERGY: 3387400 717.3387 2120.9828 1946.7029 110.2134 -206528.1994 17872.5425 0.0000 0.0000 34370.0333 -149390.3858 300.1620 -183760.4191 -149293.9778 298.6618 55.1083 85.6959 557692.8973 3.4887 3.4350 PRESSURE: 3387600 29.8459 -40.1367 -8.98601 -40.1382 40.9668 -11.2123 -8.9848 -11.213 22.3004 GPRESSURE: 3387600 104.426 -112.232 -56.056 77.6465 53.1895 37.8301 -43.6503 -0.755292 42.5622 PRESSAVG: 3387600 -12.1176 -37.6299 -20.367 -37.63 4.07087 24.0344 -20.3671 24.0345 -14.9212 GPRESSAVG: 3387600 -12.7046 -37.7654 -22.6867 -35.9013 4.76217 22.9515 -21.1262 24.3261 -15.6734 TIMING: 3387600 CPU: 9833.97, 0.00289425/step Wall: 9833.97, 0.00289425/step, 1.2963 hours remaining, 206.460938 MB of memory in use. ENERGY: 3387600 754.1226 2067.7957 1975.8804 116.1330 -206568.4467 17942.0103 0.0000 0.0000 34400.6107 -149311.8940 300.4291 -183712.5047 -149213.4318 298.7539 31.0377 66.7259 557974.5158 -7.6560 -7.8720 PRESSURE: 3387800 -276.015 -114.188 -201.214 -114.187 -16.1964 91.9826 -201.213 91.9821 -78.3103 GPRESSURE: 3387800 -190.977 -154.554 -144.754 -68.9262 -32.6162 48.4873 -216.398 105.757 -69.7327 PRESSAVG: 3387800 -14.2015 1.29559 -30.5036 1.29559 29.6959 -0.786953 -30.5036 -0.78704 -38.144 GPRESSAVG: 3387800 -13.6735 2.23748 -27.3847 2.6519 28.2677 1.17821 -30.5769 -3.19674 -36.9382 TIMING: 3387800 CPU: 9834.55, 0.00290015/step Wall: 9834.55, 0.00290015/step, 1.29878 hours remaining, 206.460938 MB of memory in use. ENERGY: 3387800 724.0628 2078.3342 1979.4268 116.4662 -205950.4769 17610.9781 0.0000 0.0000 34240.4962 -149200.7126 299.0308 -183441.2088 -149098.2045 298.8081 -123.5073 -97.7752 557569.8104 -7.5499 -7.4480 PRESSURE: 3388000 -378.086 -170.57 -67.2902 -170.568 -219.072 48.2052 -67.291 48.2052 -198.289 GPRESSURE: 3388000 -378.046 -186.85 -40.633 -178.446 -164.844 108.37 -84.9292 65.6182 -163.216 PRESSAVG: 3388000 -49.9781 -28.255 -25.6247 -28.2551 69.018 51.9122 -25.6249 51.9121 -52.4316 GPRESSAVG: 3388000 -50.1708 -29.1001 -25.639 -29.9767 69.1936 49.3185 -26.874 53.5893 -53.2407 TIMING: 3388000 CPU: 9835.13, 0.00289949/step Wall: 9835.13, 0.00289949/step, 1.29833 hours remaining, 206.460938 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: 3388000 752.4580 2100.6956 1972.7291 101.8781 -205508.8810 17335.3223 0.0000 0.0000 34129.1561 -149116.6418 298.0584 -183245.7979 -149015.2487 299.5782 -265.1493 -235.3686 557681.4223 -11.1306 -11.4060 PRESSURE: 3388200 -105.325 114.796 107.669 114.796 -114.705 150.104 107.669 150.104 -134.319 GPRESSURE: 3388200 -37.9432 214.007 156.947 80.1724 -109.985 81.0086 83.6543 236.891 -101.331 PRESSAVG: 3388200 2.72814 38.8627 81.393 38.8626 -7.43376 21.013 81.3931 21.0128 13.3325 GPRESSAVG: 3388200 3.76269 41.3264 79.5975 37.0942 -7.50612 20.5266 83.0261 19.3266 12.808 TIMING: 3388200 CPU: 9835.7, 0.00289058/step Wall: 9835.7, 0.00289058/step, 1.29418 hours remaining, 206.460938 MB of memory in use. ENERGY: 3388200 748.2908 2075.4423 1956.6504 110.0985 -205563.0949 17460.9727 0.0000 0.0000 34310.0322 -148901.6080 299.6380 -183211.6403 -148803.7722 299.2122 -118.1163 -83.0866 558428.3752 2.8756 3.0215 LDB: ============= START OF LOAD BALANCING ============== 9839.17 LDB: ============== END OF LOAD BALANCING =============== 9839.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9839.17 LDB: ============= START OF LOAD BALANCING ============== 9839.46 LDB: Largest compute 4819 load 0.028678 is 24.3% of average load 0.117795 LDB: Average compute 0.001714 is 1.5% of average load 0.117795 LDB: TIME 9839.46 LOAD: AVG 0.117795 MAX 0.177985 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 9839.46 LOAD: AVG 0.117795 MAX 0.177985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: TIME 9839.46 LOAD: AVG 0.117795 MAX 0.177985 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9839.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9839.47 PRESSURE: 3388400 -55.0234 -153.002 133.715 -153.003 -81.1166 -64.9777 133.714 -64.9756 -78.3986 GPRESSURE: 3388400 -67.5012 -183.953 235.936 -106.42 -92.0842 75.9165 40.0941 -75.6053 40.6034 PRESSAVG: 3388400 -13.7789 10.2038 19.2918 10.2038 63.9556 34.7758 19.2917 34.7758 -21.712 GPRESSAVG: 3388400 -15.499 9.45443 18.8352 12.1975 64.2178 35.1603 21.3515 36.239 -20.1985 TIMING: 3388400 CPU: 9836.29, 0.00293883/step Wall: 9836.29, 0.00293883/step, 1.31562 hours remaining, 205.230469 MB of memory in use. ENERGY: 3388400 733.2875 2127.6804 1964.1552 117.1378 -206135.8114 17733.1203 0.0000 0.0000 34486.0978 -148974.3323 301.1757 -183460.4301 -148873.3043 300.2755 -71.5129 -39.6607 559249.7230 9.4882 9.5067 PRESSURE: 3388600 -21.0877 155.594 -94.7966 155.593 48.0592 13.7991 -94.7971 13.8004 -225.229 GPRESSURE: 3388600 -4.2881 186.318 -105.143 86.225 73.7196 6.28858 -71.0464 72.7777 -176.981 PRESSAVG: 3388600 7.71416 -16.4908 16.0899 -16.4908 -89.5153 -17.0818 16.0898 -17.0818 53.1533 GPRESSAVG: 3388600 8.50376 -17.3046 19.5964 -16.5345 -88.8654 -16.3271 12.4583 -18.2396 51.4304 TIMING: 3388600 CPU: 9836.87, 0.00288647/step Wall: 9836.87, 0.00288647/step, 1.29201 hours remaining, 205.433594 MB of memory in use. ENERGY: 3388600 772.5445 2052.9521 1946.7589 112.4131 -206298.9201 17811.5377 0.0000 0.0000 34422.7893 -149179.9247 300.6228 -183602.7139 -149080.1976 299.6967 -66.0860 -35.8498 559519.1948 -9.5493 -9.6438 PRESSURE: 3388800 86.7516 114.959 178.275 114.959 69.6189 194.283 178.275 194.283 49.287 GPRESSURE: 3388800 187.166 158.54 187.819 49.1265 75.0901 156.062 186.167 227.903 39.5884 PRESSAVG: 3388800 46.1855 18.542 50.9999 18.542 -55.6157 -24.9374 50.9999 -24.9375 8.16824 GPRESSAVG: 3388800 45.303 19.6444 48.7385 16.0641 -56.2443 -25.4915 51.8366 -24.2266 9.10556 TIMING: 3388800 CPU: 9837.45, 0.00289591/step Wall: 9837.45, 0.00289591/step, 1.29608 hours remaining, 205.433594 MB of memory in use. ENERGY: 3388800 742.6105 2087.2164 1946.5869 120.8452 -206450.0144 18019.7069 0.0000 0.0000 34196.4977 -149336.5506 298.6465 -183533.0484 -149241.6560 299.5881 68.5525 100.6148 558087.4627 -0.4207 -0.6119 PRESSURE: 3389000 27.9006 59.783 79.2521 59.782 -3.52372 48.9078 79.2527 48.9074 211.174 GPRESSURE: 3389000 53.9035 40.0457 166.227 38.9032 37.5458 -45.2857 66.2112 -1.94903 238.211 PRESSAVG: 3389000 30.0336 -48.3484 68.1445 -48.3484 26.4209 40.0564 68.1445 40.0564 0.882068 GPRESSAVG: 3389000 30.7286 -47.9624 68.5921 -47.8731 26.9585 39.6196 70.1192 39.4388 -0.411509 TIMING: 3389000 CPU: 9838.02, 0.00287253/step Wall: 9838.02, 0.00287253/step, 1.28546 hours remaining, 205.433594 MB of memory in use. ENERGY: 3389000 743.2756 2108.7872 1978.0385 107.5954 -206336.6222 17975.7866 0.0000 0.0000 34055.7124 -149367.4264 297.4170 -183423.1388 -149273.4961 298.3266 78.5168 109.8869 556830.8382 19.1122 19.0918 PRESSURE: 3389200 227.402 63.033 -143.747 63.033 65.1711 -104.709 -143.747 -104.708 -19.6122 GPRESSURE: 3389200 210.178 79.6181 -91.578 5.3001 108.464 -62.3154 -159.377 -63.3287 45.222 PRESSAVG: 3389200 -70.502 -2.02169 -43.7562 -2.02166 53.1917 -67.8938 -43.7562 -67.8937 22.9219 GPRESSAVG: 3389200 -70.4252 -2.01686 -42.5315 -2.34596 52.1631 -67.8588 -46.1981 -67.1422 24.1713 TIMING: 3389200 CPU: 9838.59, 0.00286165/step Wall: 9838.59, 0.00286165/step, 1.28043 hours remaining, 205.433594 MB of memory in use. ENERGY: 3389200 706.5595 2126.6526 1971.0231 106.9664 -206460.4193 17894.3384 0.0000 0.0000 34079.0626 -149575.8166 297.6209 -183654.8792 -149477.4394 298.9038 90.9871 121.2880 555872.9711 1.8705 1.9697 PRESSURE: 3389400 -50.3845 49.8403 -65.6789 49.8407 -47.2729 -23.3409 -65.68 -23.3399 -94.0056 GPRESSURE: 3389400 -80.4949 -14.5505 -20.3207 79.5768 34.4103 8.26564 -102.503 -14.535 -44.0575 PRESSAVG: 3389400 37.4263 14.8689 3.46369 14.869 -41.1553 18.3452 3.46372 18.3451 14.8045 GPRESSAVG: 3389400 36.8421 14.3178 1.63934 15.4668 -40.0382 19.1557 4.23577 19.7453 14.5445 TIMING: 3389400 CPU: 9839.17, 0.00288298/step Wall: 9839.17, 0.00288298/step, 1.28981 hours remaining, 205.433594 MB of memory in use. ENERGY: 3389400 734.0726 2103.3480 1993.1738 109.2023 -206252.0113 17669.8912 0.0000 0.0000 34256.8088 -149385.5145 299.1732 -183642.3233 -149288.0298 298.6153 -63.8877 -30.0474 556347.6393 3.6918 3.7828 PRESSURE: 3389600 42.9916 128.603 -23.1837 128.602 -33.9974 189.138 -23.1829 189.138 26.1356 GPRESSURE: 3389600 53.6135 141.408 20.3082 134.816 -20.7209 62.5386 -69.8101 156.887 94.6862 PRESSAVG: 3389600 -44.4763 -19.0869 -4.75929 -19.0869 31.1013 28.002 -4.75928 28.0019 15.2632 GPRESSAVG: 3389600 -43.1932 -19.9047 -2.85542 -16.4362 29.8928 25.0642 -4.53219 25.4774 15.236 TIMING: 3389600 CPU: 9839.75, 0.00289349/step Wall: 9839.75, 0.00289349/step, 1.29435 hours remaining, 205.433594 MB of memory in use. ENERGY: 3389600 703.0472 2088.1649 1945.2602 107.5865 -206225.8247 17682.3008 0.0000 0.0000 34092.1502 -149607.3148 297.7352 -183699.4651 -149512.7195 298.8310 11.7099 42.5263 556804.2010 0.6294 0.6452 PRESSURE: 3389800 54.7184 -64.6825 -107.266 -64.683 -13.3114 16.8163 -107.266 16.8175 -109.284 GPRESSURE: 3389800 111.911 -61.8526 -32.7736 -123.829 56.5527 66.5459 -159.595 -40.3344 -148.511 PRESSAVG: 3389800 -31.1252 -11.4618 -56.6377 -11.4618 11.1959 -11.9933 -56.6378 -11.9933 3.37972 GPRESSAVG: 3389800 -32.1258 -10.3601 -59.0568 -14.2769 11.7993 -10.5078 -56.9752 -12.1133 3.53432 TIMING: 3389800 CPU: 9840.32, 0.0028718/step Wall: 9840.32, 0.0028718/step, 1.28449 hours remaining, 205.433594 MB of memory in use. ENERGY: 3389800 756.3666 2082.4906 1956.4804 92.6833 -206596.0228 18020.3151 0.0000 0.0000 34105.6073 -149582.0795 297.8528 -183687.6868 -149483.3084 298.5376 -22.6256 6.6511 557809.9878 -5.5165 -5.5974 PRESSURE: 3390000 157.846 7.21298 -95.2842 7.21184 -119.172 35.2763 -95.2839 35.2759 47.1978 GPRESSURE: 3390000 137.295 -22.0938 -17.4039 -10.7548 -23.6605 81.7752 -176.151 20.3184 60.3449 PRESSAVG: 3390000 -12.109 -49.8475 -33.8157 -49.8474 8.95674 -7.51897 -33.8157 -7.51895 31.1855 GPRESSAVG: 3390000 -11.4164 -52.1443 -33.1509 -49.829 7.42589 -5.96997 -35.3077 -7.31975 32.0295 TIMING: 3390000 CPU: 9840.9, 0.00287322/step Wall: 9840.9, 0.00287322/step, 1.28497 hours remaining, 205.433594 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: 3390000 733.9404 2055.8031 1972.6181 121.6338 -206574.4396 17919.6656 0.0000 0.0000 34211.6975 -149559.0810 298.7793 -183770.7785 -149460.0812 298.1993 28.6238 57.9931 557819.5499 9.3444 9.3463 PRESSURE: 3390200 59.8752 -98.8745 -80.6371 -98.8745 78.451 124.621 -80.6368 124.62 42.078 GPRESSURE: 3390200 92.5537 -49.9523 -75.1703 -27.1967 89.3178 141.746 -172.917 145.26 104.225 PRESSAVG: 3390200 -47.8313 -84.1983 23.1293 -84.1984 28.9863 41.3204 23.1293 41.3203 36.5441 GPRESSAVG: 3390200 -48.0274 -80.8684 22.7792 -83.3401 30.3908 40.3536 23.0827 42.0781 35.7401 TIMING: 3390200 CPU: 9841.48, 0.00288374/step Wall: 9841.48, 0.00288374/step, 1.28951 hours remaining, 205.433594 MB of memory in use. ENERGY: 3390200 678.0781 2127.7115 1967.4999 127.1230 -206552.8020 17896.1725 0.0000 0.0000 34302.5754 -149453.6416 299.5729 -183756.2169 -149364.9935 298.1631 60.1348 95.3656 558069.2954 5.8997 6.0345 PRESSURE: 3390400 -18.3177 -75.7274 23.5454 -75.7265 -123.202 -117.975 23.546 -117.975 -47.4186 GPRESSURE: 3390400 10.1304 -76.123 69.3743 -80.3565 -107.147 -67.5409 104.832 -124.33 3.55726 PRESSAVG: 3390400 -34.6725 -26.765 52.1206 -26.7651 33.9258 64.3153 52.1207 64.3152 6.70786 GPRESSAVG: 3390400 -35.3403 -29.0678 51.6547 -25.3437 33.5879 64.6757 56.0425 64.2479 7.68687 TIMING: 3390400 CPU: 9842.05, 0.00288086/step Wall: 9842.05, 0.00288086/step, 1.28807 hours remaining, 205.433594 MB of memory in use. ENERGY: 3390400 721.3557 2080.2424 1987.9606 120.0372 -206754.8249 17921.0214 0.0000 0.0000 34316.5418 -149607.6659 299.6949 -183924.2076 -149507.1678 298.8510 -62.9794 -31.1533 558768.5333 1.9871 1.9781 PRESSURE: 3390600 -238.666 109.442 14.4778 109.44 100.813 -226.948 14.4779 -226.949 121.653 GPRESSURE: 3390600 -198.522 41.0422 -31.1102 69.2765 128.624 -259.817 20.0319 -196.691 161.185 PRESSAVG: 3390600 -84.9563 3.24066 -28.4642 3.24068 90.394 -33.5578 -28.4641 -33.5576 -37.3105 GPRESSAVG: 3390600 -84.7797 3.11989 -27.1896 3.64932 90.4518 -33.239 -32.1464 -34.5526 -37.2982 TIMING: 3390600 CPU: 9842.63, 0.00289912/step Wall: 9842.63, 0.00289912/step, 1.29607 hours remaining, 205.433594 MB of memory in use. ENERGY: 3390600 745.5863 2102.9303 1978.2014 130.5314 -206464.0562 17872.1741 0.0000 0.0000 34043.4089 -149591.2238 297.3096 -183634.6327 -149494.3958 298.1363 -5.3997 30.4288 557582.1410 -10.6243 -10.5420 PRESSURE: 3390800 97.9443 6.08278 -29.1844 6.08282 -127.402 -101.694 -29.1844 -101.692 -16.8703 GPRESSURE: 3390800 157.883 -48.7018 17.3044 78.1418 -94.0389 53.8469 -90.2591 -92.8323 -10.0793 PRESSAVG: 3390800 12.0155 -24.9732 -4.2587 -24.9733 -63.5745 -40.7993 -4.2586 -40.7993 15.1195 GPRESSAVG: 3390800 12.5454 -24.2626 -5.38643 -26.4078 -63.2367 -41.6857 -2.10364 -40.2029 14.5157 TIMING: 3390800 CPU: 9843.21, 0.00287746/step Wall: 9843.21, 0.00287746/step, 1.28623 hours remaining, 205.433594 MB of memory in use. ENERGY: 3390800 732.7632 2062.2658 1949.1860 117.2895 -206622.0701 17932.6021 0.0000 0.0000 34277.4390 -149550.5246 299.3534 -183827.9635 -149455.8857 297.8104 -15.4426 17.9216 557390.2081 -12.1465 -12.0585 PRESSURE: 3391000 -90.6256 -47.0414 -149.404 -47.0435 -46.4315 -199.222 -149.404 -199.221 -30.9531 GPRESSURE: 3391000 -61.6009 -76.324 -181.598 -64.0195 13.7661 -124.369 -27.3156 -300.462 -24.5964 PRESSAVG: 3391000 49.532 -35.4474 -38.0714 -35.4474 -12.729 39.0872 -38.0714 39.0871 -27.6302 GPRESSAVG: 3391000 50.6664 -34.7541 -37.8265 -35.6537 -13.735 37.5594 -37.0072 39.244 -27.1683 TIMING: 3391000 CPU: 9843.79, 0.00288939/step Wall: 9843.79, 0.00288939/step, 1.2914 hours remaining, 205.433594 MB of memory in use. ENERGY: 3391000 735.8951 2079.2940 1938.8717 114.9329 -206407.4902 17830.6062 0.0000 0.0000 34192.1030 -149515.7872 298.6081 -183707.8902 -149416.2527 298.2026 -56.0034 -24.1437 558149.5605 3.0576 3.2544 PRESSURE: 3391200 -39.9295 -1.66324 -83.2644 -1.66359 -203.391 -4.37061 -83.2642 -4.36936 -357.98 GPRESSURE: 3391200 -0.868608 51.0463 -160.381 -122.073 -202.53 -21.8017 -80.0762 -6.78068 -290.636 PRESSAVG: 3391200 -73.2464 10.1663 -24.3104 10.1662 54.4527 20.8451 -24.3104 20.845 13.491 GPRESSAVG: 3391200 -72.5215 10.8367 -24.945 10.2708 54.2431 19.8549 -27.1322 19.9155 13.5944 TIMING: 3391200 CPU: 9844.36, 0.0028986/step Wall: 9844.36, 0.0028986/step, 1.29535 hours remaining, 205.433594 MB of memory in use. ENERGY: 3391200 710.9531 2046.0520 1959.1640 116.2875 -206173.2203 17593.5916 0.0000 0.0000 34145.7048 -149601.4674 298.2029 -183747.1722 -149501.2933 298.0172 -200.4337 -164.6781 557477.2507 -1.7675 -1.5613 PRESSURE: 3391400 -64.7451 36.0499 5.17034 36.0495 -51.3434 175.025 5.17033 175.025 -230.14 GPRESSURE: 3391400 19.1017 16.5098 -55.2494 6.94225 -5.55383 107.825 -44.0533 225.022 -249.41 PRESSAVG: 3391400 -9.91627 15.4604 -13.5995 15.4605 -30.0576 19.3326 -13.5996 19.3326 65.8866 GPRESSAVG: 3391400 -10.4489 13.0357 -12.5443 16.4032 -29.6065 19.2852 -16.2227 20.0553 65.7253 TIMING: 3391400 CPU: 9844.95, 0.00290665/step Wall: 9844.95, 0.00290665/step, 1.29879 hours remaining, 205.433594 MB of memory in use. ENERGY: 3391400 714.0411 2066.8770 1963.5500 112.2867 -206083.1149 17586.8079 0.0000 0.0000 34404.6309 -149234.9214 300.4642 -183639.5523 -149137.8237 298.2324 -115.4096 -78.6207 556479.1386 8.6376 8.5566 PRESSURE: 3391600 -34.26 -52.5338 0.301218 -52.5332 26.9402 -115.458 0.301012 -115.457 -119.49 GPRESSURE: 3391600 -34.848 -0.566521 30.9402 -50.8546 45.3598 -76.0065 22.8908 -174.63 -46.7922 PRESSAVG: 3391600 22.7028 -47.4517 44.6954 -47.4518 15.2665 -19.8972 44.6954 -19.8972 -3.74668 GPRESSAVG: 3391600 21.1423 -46.2571 45.9315 -48.0138 15.6594 -18.4966 44.09 -21.3377 -2.93363 TIMING: 3391600 CPU: 9845.53, 0.0029093/step Wall: 9845.53, 0.0029093/step, 1.29981 hours remaining, 205.433594 MB of memory in use. ENERGY: 3391600 735.3393 2083.9556 1966.1332 106.5610 -205884.9854 17561.5121 0.0000 0.0000 34236.6409 -149194.8433 298.9971 -183431.4842 -149097.8165 299.1808 -42.2698 -12.0934 557439.5250 11.4075 11.2894 PRESSURE: 3391800 -223.298 -6.53629 -135.956 -6.53649 -405.84 90.6483 -135.956 90.6471 69.9327 GPRESSURE: 3391800 -136.22 86.0155 -67.4607 -67.8549 -382.974 196.355 -133.277 45.734 64.6816 PRESSAVG: 3391800 8.98451 -49.1728 31.4894 -49.1729 -27.6846 32.9932 31.4893 32.9932 -25.873 GPRESSAVG: 3391800 10.4187 -50.2487 29.62 -46.9392 -28.6926 33.4545 36.6713 35.1767 -25.9686 TIMING: 3391800 CPU: 9846.11, 0.00289311/step Wall: 9846.11, 0.00289311/step, 1.29242 hours remaining, 205.433594 MB of memory in use. ENERGY: 3391800 752.9756 2089.3719 1945.2304 116.8282 -205980.0905 17568.5007 0.0000 0.0000 34282.7580 -149224.4258 299.3999 -183507.1837 -149120.6956 299.0757 -186.4018 -151.5043 558054.1918 -14.8577 -14.7475 PRESSURE: 3392000 -300.207 -57.5478 109.186 -57.547 -169.137 103.456 109.187 103.456 -259.601 GPRESSURE: 3392000 -245.142 -39.6523 85.3184 -92.1037 -111.185 78.8657 145.241 132.304 -275.422 PRESSAVG: 3392000 -10.1664 -13.3181 -22.8309 -13.3181 -24.3687 19.7189 -22.8309 19.7189 83.268 GPRESSAVG: 3392000 -10.062 -11.8414 -21.9401 -16.2638 -23.3892 20.0993 -24.8017 17.2418 81.7373 TIMING: 3392000 CPU: 9846.68, 0.00288848/step Wall: 9846.68, 0.00288848/step, 1.29019 hours remaining, 205.433594 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: 3392000 747.7599 2085.1859 1956.0491 107.2725 -205927.9058 17472.1045 0.0000 0.0000 34429.7283 -149129.8056 300.6834 -183559.5339 -149028.3750 299.8481 -242.9816 -210.5829 558200.1806 16.2443 16.0954 PRESSURE: 3392200 50.5317 -84.8674 -37.8982 -84.8672 -194.394 51.9717 -37.8988 51.9718 -48.6978 GPRESSURE: 3392200 94.4122 -21.6863 -42.075 -158.721 -171.307 43.2418 -37.5051 74.1432 -19.3925 PRESSAVG: 3392200 -19.6658 -41.5168 -25.3354 -41.5168 -14.1116 3.82396 -25.3353 3.824 21.666 GPRESSAVG: 3392200 -20.135 -40.7757 -23.1624 -41.3793 -14.3883 4.04338 -27.7673 5.51861 22.558 TIMING: 3392200 CPU: 9847.27, 0.0029085/step Wall: 9847.27, 0.0029085/step, 1.29897 hours remaining, 205.433594 MB of memory in use. ENERGY: 3392200 745.3087 2109.4787 1966.5592 108.9822 -206158.4196 17662.8795 0.0000 0.0000 34341.2106 -149224.0008 299.9103 -183565.2114 -149134.6245 299.5518 -64.1868 -32.0959 557872.3945 -4.0371 -3.9884 LDB: ============= START OF LOAD BALANCING ============== 9850.73 LDB: ============== END OF LOAD BALANCING =============== 9850.73 LDB: =============== DONE WITH MIGRATION ================ 9850.73 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 9851.02 LDB: Largest compute 4820 load 0.028664 is 24.3% of average load 0.117798 LDB: Average compute 0.001724 is 1.5% of average load 0.117798 LDB: TIME 9851.02 LOAD: AVG 0.117798 MAX 0.178781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.957 MB LDB: TIME 9851.03 LOAD: AVG 0.117798 MAX 0.178781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.16 MB LDB: TIME 9851.03 LOAD: AVG 0.117798 MAX 0.178781 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9851.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9851.03 PRESSURE: 3392400 163.042 1.9209 -11.3764 1.92075 -93.3556 -63.9667 -11.3765 -63.9677 220.591 GPRESSURE: 3392400 187.29 -69.9686 -17.33 46.8334 -70.3408 -56.6712 7.21342 -90.7409 263.671 PRESSAVG: 3392400 54.1021 -39.2749 -13.9454 -39.2749 31.1066 -11.7934 -13.9453 -11.7934 -43.2621 GPRESSAVG: 3392400 54.2944 -40.0962 -15.776 -40.2088 30.7312 -11.5836 -10.9821 -12.0507 -42.8536 TIMING: 3392400 CPU: 9847.86, 0.00294928/step Wall: 9847.86, 0.00294928/step, 1.31702 hours remaining, 207.750000 MB of memory in use. ENERGY: 3392400 740.5346 2081.4669 1959.0015 111.8787 -206849.0554 18175.4912 0.0000 0.0000 34300.7513 -149479.9313 299.5570 -183780.6826 -149379.0988 299.1373 96.7593 126.8735 557308.9400 13.9822 14.0573 PRESSURE: 3392600 101.23 -39.2437 -27.1963 -39.2443 -55.4308 -80.5297 -27.1967 -80.5296 55.0885 GPRESSURE: 3392600 142.484 -73.8973 -13.3826 -117.356 -38.8884 -60.3571 -42.8453 25.8818 90.1148 PRESSAVG: 3392600 -38.8798 53.4538 -11.3471 53.4538 19.856 9.94967 -11.3471 9.94976 -7.53498 GPRESSAVG: 3392600 -37.4755 51.0632 -11.0403 54.4858 19.5782 8.31107 -10.5316 9.46588 -8.37485 TIMING: 3392600 CPU: 9848.43, 0.0028717/step Wall: 9848.43, 0.0028717/step, 1.28221 hours remaining, 207.953125 MB of memory in use. ENERGY: 3392600 717.2125 2056.5776 1970.7143 116.4663 -206276.6750 17937.0876 0.0000 0.0000 34010.5057 -149468.1110 297.0222 -183478.6168 -149367.4333 298.4540 33.6292 64.5700 557625.4244 -8.8529 -8.7574 PRESSURE: 3392800 -10.2753 127.741 -152.098 127.739 -145.884 5.08407 -152.098 5.08252 -66.882 GPRESSURE: 3392800 6.10037 112.998 -161.145 118.548 -63.4944 -17.3714 -194.611 79.7316 -60.4594 PRESSAVG: 3392800 -31.8456 75.4602 -1.00622 75.4602 -69.788 -13.7219 -1.00617 -13.7219 61.6187 GPRESSAVG: 3392800 -34.1175 79.8492 -1.43475 73.7806 -68.9999 -14.351 -2.51171 -12.836 63.0361 TIMING: 3392800 CPU: 9849.01, 0.00288209/step Wall: 9849.01, 0.00288209/step, 1.28669 hours remaining, 207.953125 MB of memory in use. ENERGY: 3392800 726.6854 2080.0865 1938.1690 113.8617 -206378.4988 17796.6206 0.0000 0.0000 34252.3564 -149470.7193 299.1343 -183723.0757 -149376.8764 298.4823 -74.3472 -39.2845 559076.0568 -13.3383 -13.3604 PRESSURE: 3393000 -126.035 62.7139 62.1525 62.713 -47.0221 74.8853 62.1527 74.886 -87.3445 GPRESSURE: 3393000 -52.5939 137.347 144.699 12.1914 -23.9304 89.7374 28.3965 51.5923 -87.6084 PRESSAVG: 3393000 26.6723 78.4641 40.737 78.464 -20.8276 -24.4264 40.7369 -24.4263 -3.76554 GPRESSAVG: 3393000 27.3743 77.0565 40.8953 81.5711 -20.7644 -22.1639 41.1738 -27.1882 -4.37764 TIMING: 3393000 CPU: 9849.58, 0.00287655/step Wall: 9849.58, 0.00287655/step, 1.28406 hours remaining, 207.953125 MB of memory in use. ENERGY: 3393000 736.3324 2085.7873 1946.3234 118.1945 -206565.8923 17817.1064 0.0000 0.0000 34288.2908 -149573.8574 299.4482 -183862.1483 -149484.4985 298.7882 -86.8005 -54.7109 556829.3450 0.6931 0.7441 PRESSURE: 3393200 12.79 -131.087 35.3975 -131.087 -276.106 136.239 35.3975 136.239 -204.089 GPRESSURE: 3393200 21.4853 -197.343 -11.3014 -83.4238 -249.786 28.5712 -6.2555 142.64 -144.826 PRESSAVG: 3393200 59.4779 -10.1351 82.6725 -10.135 -50.2084 -10.6825 82.6726 -10.6825 12.9497 GPRESSAVG: 3393200 59.1537 -11.4096 81.834 -11.7824 -50.7605 -9.53024 82.7787 -9.98757 14.0289 TIMING: 3393200 CPU: 9850.16, 0.0028701/step Wall: 9850.16, 0.0028701/step, 1.28102 hours remaining, 207.953125 MB of memory in use. ENERGY: 3393200 797.7267 2062.4709 1951.0426 118.4079 -206151.2156 17676.9406 0.0000 0.0000 34042.9889 -149501.6380 297.3059 -183544.6269 -149402.5307 298.2917 -155.8015 -124.3754 557883.2674 7.4064 7.4740 PRESSURE: 3393400 -74.8205 -9.51629 -9.38644 -9.51661 69.7634 -10.2352 -9.38644 -10.2344 19.9424 GPRESSURE: 3393400 13.7734 27.3382 7.14241 -18.8384 44.7587 -37.4221 23.8441 67.3532 45.4267 PRESSAVG: 3393400 69.1128 18.2287 42.3973 18.2287 -10.2181 -28.3718 42.3974 -28.3718 7.39463 GPRESSAVG: 3393400 69.1419 18.699 44.8341 20.271 -9.09326 -31.976 40.5428 -25.5351 6.07923 TIMING: 3393400 CPU: 9850.73, 0.00287167/step Wall: 9850.73, 0.00287166/step, 1.28156 hours remaining, 207.953125 MB of memory in use. ENERGY: 3393400 740.5949 2099.3592 1956.7054 107.1702 -206091.7703 17725.4514 0.0000 0.0000 34143.1622 -149319.3270 298.1807 -183462.4892 -149220.5316 299.0897 4.9618 34.6529 556810.5195 22.0965 22.0426 PRESSURE: 3393600 175.809 -34.1868 97.1169 -34.1877 -3.56728 -117.973 97.1173 -117.975 -15.7631 GPRESSURE: 3393600 172.54 -57.0607 45.3601 -22.3717 49.0438 -125.406 249.685 -16.0571 43.3965 PRESSAVG: 3393600 64.2851 -1.47479 12.0134 -1.47486 -68.8023 -30.6315 12.0133 -30.6316 21.4628 GPRESSAVG: 3393600 64.865 0.895171 9.66339 -4.88417 -69.1281 -28.8031 13.7597 -30.9407 21.8105 TIMING: 3393600 CPU: 9851.31, 0.00288208/step Wall: 9851.31, 0.00288208/step, 1.28605 hours remaining, 207.953125 MB of memory in use. ENERGY: 3393600 726.3170 2161.4620 1957.5798 115.9173 -206459.4015 17860.9746 0.0000 0.0000 34523.8875 -149113.2633 301.5057 -183637.1508 -149023.8836 298.9840 52.1596 88.3268 557081.8650 5.6485 5.8491 PRESSURE: 3393800 -47.3152 -14.3804 -183.067 -14.3806 -445.919 15.1837 -183.068 15.1841 -229.903 GPRESSURE: 3393800 -17.1736 -1.8259 -133.209 -3.54503 -475.357 41.051 -179.431 3.27915 -142.683 PRESSAVG: 3393800 77.2576 43.6275 -25.4994 43.6276 -82.2458 -51.2125 -25.4994 -51.2126 -21.6721 GPRESSAVG: 3393800 77.0647 41.195 -27.0241 45.7784 -83.3382 -51.729 -23.0565 -51.678 -20.7697 TIMING: 3393800 CPU: 9851.88, 0.00286207/step Wall: 9851.88, 0.00286207/step, 1.27696 hours remaining, 207.953125 MB of memory in use. ENERGY: 3393800 725.5766 2103.6704 1958.7417 108.3167 -206087.5647 17589.2931 0.0000 0.0000 34286.3236 -149315.6425 299.4310 -183601.9661 -149213.3648 299.9668 -241.0455 -211.7380 558470.9810 -8.8868 -9.0144 PRESSURE: 3394000 180.993 48.726 144.272 48.7264 215.441 67.3842 144.273 67.3847 88.1956 GPRESSURE: 3394000 200.034 83.2951 113.63 81.7737 219.773 140.549 103.509 28.1603 166.315 PRESSAVG: 3394000 -33.9652 67.1949 -17.1312 67.1949 -70.6143 8.8228 -17.1311 8.82288 68.8095 GPRESSAVG: 3394000 -33.2969 68.6939 -15.7939 66.8603 -70.1519 9.76905 -20.0703 8.41248 67.8182 TIMING: 3394000 CPU: 9852.45, 0.00287426/step Wall: 9852.45, 0.00287426/step, 1.28224 hours remaining, 207.953125 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: 3394000 749.7099 2081.7136 1939.9336 114.3524 -206632.0239 18085.5790 0.0000 0.0000 34327.4604 -149333.2751 299.7902 -183660.7354 -149239.8524 299.1926 161.5433 195.3740 557387.5218 -11.9233 -11.8769 PRESSURE: 3394200 -159.885 90.6299 -24.0665 90.6307 -87.0629 111.407 -24.0667 111.407 109.005 GPRESSURE: 3394200 -148.843 62.1993 -159.39 113.924 -20.9392 28.5456 56.813 119.158 133.611 PRESSAVG: 3394200 52.4163 39.8148 18.7891 39.8149 -30.5205 53.927 18.7891 53.9271 37.8825 GPRESSAVG: 3394200 52.1657 38.9087 18.077 41.0465 -29.5806 51.2759 19.9173 54.6945 37.0291 TIMING: 3394200 CPU: 9853.03, 0.00288752/step Wall: 9853.03, 0.00288752/step, 1.28799 hours remaining, 207.953125 MB of memory in use. ENERGY: 3394200 745.8148 2161.3134 1968.6597 118.8907 -206378.1419 17889.2032 0.0000 0.0000 34210.3612 -149283.8988 298.7676 -183494.2600 -149181.2976 299.6164 -45.9810 -12.0569 558125.8581 19.9261 19.8714 PRESSURE: 3394400 75.7949 -114.053 113.892 -114.052 44.8523 177.49 113.892 177.492 107.837 GPRESSURE: 3394400 112.141 -200.794 57.2072 -78.6767 71.3313 287.858 156.556 135.297 139.689 PRESSAVG: 3394400 -17.14 -6.18803 65.472 -6.18803 -40.785 2.62153 65.472 2.62158 41.6837 GPRESSAVG: 3394400 -16.2115 -6.09788 66.1808 -8.17214 -41.5215 7.00266 64.5128 1.3814 42.1155 TIMING: 3394400 CPU: 9853.61, 0.00288953/step Wall: 9853.61, 0.00288953/step, 1.28873 hours remaining, 207.953125 MB of memory in use. ENERGY: 3394400 788.4904 2092.0539 1984.9776 110.4694 -206440.8022 17978.8412 0.0000 0.0000 34196.3480 -149289.6216 298.6452 -183485.9697 -149192.0025 298.8452 76.1614 107.7204 556456.0326 -5.4138 -5.2058 PRESSURE: 3394600 -214.938 -91.3616 -8.11907 -91.3608 -71.5393 -38.6651 -8.11895 -38.6654 -103.103 GPRESSURE: 3394600 -173.254 -57.0001 4.08209 -148.367 -54.9022 -98.5011 -22.0967 30.7316 -70.4101 PRESSAVG: 3394600 -34.5591 -13.1655 -35.8288 -13.1655 24.0158 70.9341 -35.8286 70.9341 30.1749 GPRESSAVG: 3394600 -36.128 -12.5123 -36.2165 -11.8204 23.8477 69.1239 -34.6826 71.986 31.7667 TIMING: 3394600 CPU: 9854.19, 0.002889/step Wall: 9854.19, 0.002889/step, 1.28834 hours remaining, 207.953125 MB of memory in use. ENERGY: 3394600 769.1887 2136.6563 1972.7363 114.6861 -206186.7727 17540.5667 0.0000 0.0000 34243.1526 -149409.7860 299.0540 -183652.9387 -149315.2238 298.8937 -129.8602 -99.5222 556624.5635 6.5439 6.4955 PRESSURE: 3394800 -2.71623 59.8461 26.2268 59.8464 16.5585 164 26.2258 164.002 20.1816 GPRESSURE: 3394800 -1.16644 79.5757 55.6225 -15.6943 58.5192 139.528 -10.9935 129.709 74.275 PRESSAVG: 3394800 37.956 -34.8537 21.6587 -34.8536 53.043 48.6932 21.6587 48.6931 -16.2001 GPRESSAVG: 3394800 38.1808 -32.5228 22.7797 -36.8775 53.4408 47.897 20.4138 48.9654 -16.673 TIMING: 3394800 CPU: 9854.77, 0.00290328/step Wall: 9854.77, 0.00290328/step, 1.29454 hours remaining, 208.003906 MB of memory in use. ENERGY: 3394800 742.9086 2160.8144 1962.9596 112.8812 -206770.8579 18074.4538 0.0000 0.0000 34365.2488 -149351.5915 300.1203 -183716.8403 -149263.3702 299.0734 11.3413 43.8759 557764.8132 24.9330 24.9828 PRESSURE: 3395000 -31.5424 -143.834 -39.3297 -143.833 328.875 -133.684 -39.3288 -133.684 -71.6211 GPRESSURE: 3395000 -21.8137 -95.1941 -131.19 -217.444 316.922 -188.978 107.358 -138.883 40.0907 PRESSAVG: 3395000 -9.81596 -14.511 13.8202 -14.5111 12.2184 -2.13804 13.82 -2.13809 16.3209 GPRESSAVG: 3395000 -8.64459 -18.07 15.1207 -12.6884 12.1784 -1.74165 13.4618 -1.94354 15.4826 TIMING: 3395000 CPU: 9855.35, 0.00288676/step Wall: 9855.35, 0.00288676/step, 1.28702 hours remaining, 208.003906 MB of memory in use. ENERGY: 3395000 718.4015 2172.2602 1945.0780 118.8151 -206346.7618 17886.4544 0.0000 0.0000 34153.6869 -149352.0657 298.2726 -183505.7526 -149255.0769 299.3617 75.2373 111.7331 557099.6964 6.2411 6.3388 PRESSURE: 3395200 -41.9837 83.6226 -154.7 83.6221 -247.996 -21.77 -154.699 -21.7703 -91.9012 GPRESSURE: 3395200 -3.10955 87.3137 -143.889 70.0776 -253.987 -77.1735 -133.624 8.82924 -28.1759 PRESSAVG: 3395200 -2.85279 -18.2801 16.7077 -18.2801 -85.1747 23.2913 16.7077 23.2913 62.3195 GPRESSAVG: 3395200 -3.72924 -19.2282 17.0614 -18.8366 -85.9438 24.0927 15.9862 21.8723 63.665 TIMING: 3395200 CPU: 9855.93, 0.00291216/step Wall: 9855.93, 0.00291217/step, 1.29818 hours remaining, 208.003906 MB of memory in use. ENERGY: 3395200 769.9453 2132.6878 1958.8675 114.1632 -206047.7904 17670.4090 0.0000 0.0000 34293.7728 -149107.9447 299.4960 -183401.7175 -149003.6274 300.1909 -127.2937 -95.0909 558458.7823 -8.5694 -8.6693 PRESSURE: 3395400 15.7191 -14.2373 34.4973 -14.2362 25.0036 203.37 34.4967 203.369 -69.6181 GPRESSURE: 3395400 63.8658 -46.2861 61.6922 -49.3592 37.6426 227.347 15.1815 176.587 -38.6158 PRESSAVG: 3395400 3.05211 14.9983 -22.4216 14.9982 -52.0247 24.9895 -22.4216 24.9894 37.5465 GPRESSAVG: 3395400 3.04627 16.1596 -26.0111 16.3355 -51.4049 22.5219 -21.4068 25.4692 37.1458 TIMING: 3395400 CPU: 9856.51, 0.00289054/step Wall: 9856.51, 0.00289054/step, 1.28838 hours remaining, 208.003906 MB of memory in use. ENERGY: 3395400 764.1386 2106.0262 1948.4413 120.7105 -206206.3844 17828.5962 0.0000 0.0000 34176.3022 -149262.1695 298.4701 -183438.4716 -149170.1059 300.0990 -9.6318 20.9642 557601.5953 -3.8087 -3.7376 PRESSURE: 3395600 160.589 182.657 145.647 182.658 55.5215 -49.4494 145.649 -49.4498 273.856 GPRESSURE: 3395600 190.664 175.534 116.269 236.831 79.824 -40.2044 133.915 -23.7944 307.12 PRESSAVG: 3395600 33.1437 8.51579 9.7069 8.51584 -23.7739 4.66455 9.70684 4.66454 -12.4592 GPRESSAVG: 3395600 34.1274 8.26059 11.8896 7.78165 -23.534 4.19098 9.63369 5.72973 -13.7093 TIMING: 3395600 CPU: 9857.08, 0.00289549/step Wall: 9857.08, 0.00289549/step, 1.29043 hours remaining, 208.003906 MB of memory in use. ENERGY: 3395600 747.6662 2082.6280 1987.0903 121.9299 -206155.3166 17887.1580 0.0000 0.0000 34176.2366 -149152.6076 298.4696 -183328.8442 -149058.0040 299.0376 163.3220 192.5360 556739.0553 -1.0298 -1.0387 PRESSURE: 3395800 -203.621 -25.5686 51.6385 -25.5691 146.508 44.003 51.6389 44.0016 -136.77 GPRESSURE: 3395800 -223.981 -68.5766 -5.54628 -12.9998 211.515 4.84451 71.6742 43.257 -84.1234 PRESSAVG: 3395800 16.0275 -25.6884 54.518 -25.6883 9.8996 -14.0336 54.518 -14.0337 -14.1156 GPRESSAVG: 3395800 15.109 -25.2914 53.59 -24.5366 9.67038 -13.6265 55.8728 -14.4136 -13.1912 TIMING: 3395800 CPU: 9857.66, 0.00288179/step Wall: 9857.66, 0.00288179/step, 1.28416 hours remaining, 208.003906 MB of memory in use. ENERGY: 3395800 732.9408 2083.4218 1963.1299 106.8756 -206368.5317 17931.9327 0.0000 0.0000 34275.5163 -149274.7145 299.3366 -183550.2308 -149172.5289 299.6183 -64.6276 -32.1964 558040.1054 3.9372 3.8627 PRESSURE: 3396000 -221.378 -31.089 -80.3753 -31.0887 -87.1522 0.38741 -80.3752 0.386322 -369.911 GPRESSURE: 3396000 -223.557 9.56343 -202.579 -10.7383 -58.9533 76.7267 7.08601 -120.898 -304.963 PRESSAVG: 3396000 -24.2687 -70.2476 -4.90597 -70.2475 29.171 -50.8784 -4.90597 -50.8783 -7.92782 GPRESSAVG: 3396000 -23.6328 -70.0307 -4.74824 -70.4253 29.4066 -51.0997 -5.06083 -51.6493 -7.84249 TIMING: 3396000 CPU: 9858.24, 0.00288905/step Wall: 9858.24, 0.00288905/step, 1.28723 hours remaining, 208.003906 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: 3396000 713.4830 2047.6776 1961.4618 124.0819 -205863.4711 17514.4463 0.0000 0.0000 34228.9946 -149273.3258 298.9303 -183502.3205 -149175.6188 299.4861 -226.1473 -195.8246 558487.4386 -1.0085 -0.6896 PRESSURE: 3396200 -153.034 -16.3869 88.0044 -16.388 -88.7704 -153.655 88.004 -153.655 -94.1904 GPRESSURE: 3396200 -106.048 17.2761 119.326 -6.52134 -73.7893 -137.09 21.5401 -120.908 -71.4927 PRESSAVG: 3396200 0.669273 -38.5775 -8.8921 -38.5774 16.2628 20.5889 -8.89207 20.5889 5.72076 GPRESSAVG: 3396200 0.407542 -39.267 -8.54921 -38.1824 16.371 21.0037 -9.44896 20.1673 5.95822 TIMING: 3396200 CPU: 9858.82, 0.00288524/step Wall: 9858.82, 0.00288523/step, 1.28537 hours remaining, 208.003906 MB of memory in use. ENERGY: 3396200 709.5356 2085.4599 1947.1850 110.1620 -205850.4590 17678.3478 0.0000 0.0000 34187.6690 -149132.0998 298.5694 -183319.7687 -149039.2857 298.1891 -111.9984 -83.7766 558677.0165 7.5509 7.5789 LDB: ============= START OF LOAD BALANCING ============== 9862.28 LDB: ============== END OF LOAD BALANCING =============== 9862.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9862.28 LDB: ============= START OF LOAD BALANCING ============== 9862.57 LDB: Largest compute 4819 load 0.029660 is 25.2% of average load 0.117765 LDB: Average compute 0.001716 is 1.5% of average load 0.117765 LDB: TIME 9862.57 LOAD: AVG 0.117765 MAX 0.179832 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 9862.57 LOAD: AVG 0.117765 MAX 0.179832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 9862.57 LOAD: AVG 0.117765 MAX 0.179832 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9862.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9862.58 PRESSURE: 3396400 44.896 3.21649 -16.3064 3.21635 63.9878 15.9617 -16.3064 15.9613 5.33892 GPRESSURE: 3396400 19.2853 46.2384 94.431 -28.3128 104.854 46.6733 -52.989 47.5695 90.8524 PRESSAVG: 3396400 -35.6114 11.0232 -73.6379 11.0232 72.1146 0.39725 -73.6379 0.397267 -19.1815 GPRESSAVG: 3396400 -35.241 10.8367 -71.199 10.3316 71.5248 0.0279434 -75.1953 1.66295 -18.9504 TIMING: 3396400 CPU: 9859.41, 0.00294625/step Wall: 9859.41, 0.00294625/step, 1.31239 hours remaining, 205.953125 MB of memory in use. ENERGY: 3396400 735.8150 2058.9754 1949.9260 118.9497 -206022.9860 17883.6667 0.0000 0.0000 34089.8342 -149185.8191 297.7150 -183275.6532 -149087.1928 298.9872 38.0743 71.6640 557698.0573 5.7739 5.7778 PRESSURE: 3396600 46.986 -28.9966 -32.9834 -28.9963 -150.448 216.823 -32.9844 216.823 -157.068 GPRESSURE: 3396600 105.536 -32.4132 133.832 23.3422 -146.708 267.38 -68.1521 218.507 -97.1347 PRESSAVG: 3396600 76.648 12.7292 1.9603 12.7292 0.339556 47.1453 1.96031 47.1451 -38.7927 GPRESSAVG: 3396600 77.5245 13.8687 0.956749 13.253 -0.0179436 47.5792 2.49753 45.6505 -39.4781 TIMING: 3396600 CPU: 9859.98, 0.00289582/step Wall: 9859.98, 0.00289582/step, 1.28976 hours remaining, 206.148438 MB of memory in use. ENERGY: 3396600 776.7042 2072.3951 1932.5118 101.7075 -206164.0226 17859.0285 0.0000 0.0000 34298.6381 -149123.0374 299.5385 -183421.6754 -149035.3614 298.9457 -86.8434 -46.1022 558806.9363 12.7316 12.6762 PRESSURE: 3396800 -165.742 41.4461 95.3666 41.4471 -241.124 50.8762 95.3672 50.8756 169.115 GPRESSURE: 3396800 -124.548 -45.8361 113.026 25.3163 -223.309 15.1346 -23.5468 78.7933 214.73 PRESSAVG: 3396800 -4.31534 61.1225 12.5031 61.1224 11.4784 -5.26926 12.503 -5.26932 -8.83078 GPRESSAVG: 3396800 -3.99963 61.2248 13.2324 59.5823 11.325 -5.23172 10.8914 -6.40877 -9.28049 TIMING: 3396800 CPU: 9860.56, 0.00288992/step Wall: 9860.56, 0.00288992/step, 1.28698 hours remaining, 206.148438 MB of memory in use. ENERGY: 3396800 736.8980 2077.0374 1952.3318 109.6943 -205910.0568 17657.7086 0.0000 0.0000 34301.6629 -149074.7239 299.5650 -183376.3868 -148979.7996 299.4548 -79.2503 -44.3757 558478.4836 -0.5559 -0.6517 PRESSURE: 3397000 221.016 -129.942 -65.0999 -129.943 235.68 113.32 -65.0996 113.322 124.08 GPRESSURE: 3397000 200.795 -92.0572 0.85507 -221.378 304.192 136.849 -31.9583 88.082 169.106 PRESSAVG: 3397000 -31.4062 39.3441 5.70831 39.3442 47.3156 12.1668 5.70836 12.1668 -16.6038 GPRESSAVG: 3397000 -31.965 37.6706 5.38024 40.0888 47.3195 11.686 7.34386 13.0238 -16.3671 TIMING: 3397000 CPU: 9861.14, 0.00287706/step Wall: 9861.14, 0.00287706/step, 1.28109 hours remaining, 206.148438 MB of memory in use. ENERGY: 3397000 697.3573 2104.7521 1932.5603 120.7599 -206198.0836 18050.7194 0.0000 0.0000 34182.9973 -149108.9373 298.5286 -183291.9346 -149013.9549 299.5981 193.5922 224.6979 559736.4875 -0.2315 -0.3375 PRESSURE: 3397200 92.5853 104.13 68.2788 104.13 163.655 111.385 68.2784 111.385 182.97 GPRESSURE: 3397200 133.153 -33.1212 77.5458 186.15 163.345 37.5764 118.149 109.4 249.01 PRESSAVG: 3397200 6.0694 -52.358 25.1412 -52.3579 -4.58363 8.69572 25.1412 8.69579 0.592959 GPRESSAVG: 3397200 4.79518 -53.1453 24.2387 -52.5491 -4.40984 11.9222 25.0078 8.04251 2.41279 TIMING: 3397200 CPU: 9861.71, 0.00288504/step Wall: 9861.71, 0.00288504/step, 1.28448 hours remaining, 206.148438 MB of memory in use. ENERGY: 3397200 726.1345 2100.1724 1951.0432 118.2049 -206174.1329 17943.2391 0.0000 0.0000 34253.6282 -149081.7106 299.1455 -183335.3388 -148990.8894 299.4692 146.4035 181.8359 557560.2223 0.6929 0.9327 PRESSURE: 3397400 -98.8967 64.431 6.14372 64.4302 -127.569 125.252 6.1427 125.252 -82.3404 GPRESSURE: 3397400 -69.7052 51.5118 -1.92854 68.0925 -140.445 110.353 -23.707 74.4504 1.61391 PRESSAVG: 3397400 -98.2365 69.1231 -15.4093 69.1232 -8.04485 61.359 -15.4095 61.359 85.0726 GPRESSAVG: 3397400 -97.7321 70.8215 -15.9767 68.4846 -8.10132 58.0978 -15.1551 63.8267 84.7065 TIMING: 3397400 CPU: 9862.29, 0.00288191/step Wall: 9862.29, 0.00288191/step, 1.28293 hours remaining, 206.148438 MB of memory in use. ENERGY: 3397400 749.9938 2119.1345 1937.5218 113.0404 -205707.6614 17664.0846 0.0000 0.0000 34065.7719 -149058.1144 297.5049 -183123.8863 -148964.8582 299.3413 -102.9353 -69.5122 559729.8685 -7.0696 -7.0423 PRESSURE: 3397600 -29.3406 -176.2 -58.0342 -176.199 -20.904 -123.831 -58.0349 -123.832 30.6595 GPRESSURE: 3397600 -4.60337 -96.4436 -137.181 -235.951 23.3346 -141.9 34.1017 -129.811 52.583 PRESSAVG: 3397600 35.1742 -1.1066 -51.6127 -1.10663 -77.9249 56.5754 -51.6128 56.5753 44.5046 GPRESSAVG: 3397600 35.9677 -2.50183 -49.1104 1.17941 -77.8743 57.4059 -52.4789 56.1739 42.9752 TIMING: 3397600 CPU: 9862.87, 0.00291645/step Wall: 9862.87, 0.00291645/step, 1.29814 hours remaining, 206.148438 MB of memory in use. ENERGY: 3397600 793.5372 2067.7621 1929.0753 108.5474 -206257.0094 17935.3761 0.0000 0.0000 34208.2843 -149214.4268 298.7495 -183422.7111 -149122.6175 299.0875 -6.5283 23.7714 558739.2672 0.5846 0.3562 PRESSURE: 3397800 -177.692 -29.3542 -55.199 -29.3556 -46.6687 332.211 -55.1996 332.212 -250.624 GPRESSURE: 3397800 -145.186 -36.6491 -35.529 68.3571 -22.0739 268.905 -69.818 341.065 -221.694 PRESSAVG: 3397800 -73.3209 -8.14041 -9.24681 -8.14048 27.6807 48.2866 -9.24683 48.2865 56.585 GPRESSAVG: 3397800 -74.155 -7.18006 -12.6069 -8.28762 27.9511 48.1051 -8.97824 49.3641 56.6125 TIMING: 3397800 CPU: 9863.46, 0.00290399/step Wall: 9863.46, 0.00290399/step, 1.29244 hours remaining, 206.148438 MB of memory in use. ENERGY: 3397800 799.1829 2109.7031 1948.8744 115.5709 -206291.2035 17806.6018 0.0000 0.0000 34425.2410 -149086.0293 300.6442 -183511.2703 -148988.0087 299.5188 -158.3283 -129.6510 559493.7063 3.6483 3.4695 PRESSURE: 3398000 301.219 -32.4197 -55.4564 -32.4195 0.434355 -40.0529 -55.4581 -40.0531 308.358 GPRESSURE: 3398000 310.225 -56.0171 40.2355 -29.0189 92.8219 25.5437 -115.088 -80.3196 286.847 PRESSAVG: 3398000 -6.80069 -51.7682 44.7193 -51.7682 -16.9307 27.0646 44.7193 27.0648 16.1046 GPRESSAVG: 3398000 -6.16051 -50.0981 44.9227 -53.7185 -16.521 27.7034 45.6354 25.3906 15.106 TIMING: 3398000 CPU: 9864.03, 0.00288654/step Wall: 9864.03, 0.00288654/step, 1.28451 hours remaining, 206.148438 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: 3398000 746.9571 2067.3501 1966.6847 112.8985 -206550.9019 18161.6844 0.0000 0.0000 34359.7653 -149135.5618 300.0724 -183495.3272 -149043.5606 299.4595 203.3371 229.9647 557283.1439 -2.5422 -2.5252 PRESSURE: 3398200 -345.207 147.034 219.778 147.035 -151.365 178.649 219.778 178.649 -71.5365 GPRESSURE: 3398200 -335.613 126.125 190.109 179.794 -116.701 118.245 201.048 175.644 -19.5864 PRESSAVG: 3398200 31.2915 26.8722 72.7822 26.8722 -33.9403 33.3534 72.7822 33.3534 20.0011 GPRESSAVG: 3398200 30.1754 24.8266 73.2739 28.4657 -34.2821 31.3295 71.9169 34.9338 21.3547 TIMING: 3398200 CPU: 9864.61, 0.00290319/step Wall: 9864.61, 0.00290319/step, 1.29176 hours remaining, 206.148438 MB of memory in use. ENERGY: 3398200 810.4936 2110.0672 1946.5078 122.0581 -206319.0054 17730.2048 0.0000 0.0000 34322.4380 -149277.2359 299.7464 -183599.6739 -149179.9377 299.2355 -189.3695 -157.3000 557896.6892 5.7841 5.7493 PRESSURE: 3398400 47.7978 -42.1105 -40.0407 -42.1109 44.0817 79.5127 -40.0396 79.5111 -205.7 GPRESSURE: 3398400 142.147 -26.4992 37.8624 -91.2393 63.3711 97.2411 -174.604 73.2996 -219.649 PRESSAVG: 3398400 -11.9316 34.8365 39.7035 34.8365 5.41716 -15.4205 39.7036 -15.4204 47.1609 GPRESSAVG: 3398400 -11.0832 33.7252 38.44 34.4134 5.69325 -14.2414 41.4258 -17.399 45.8189 TIMING: 3398400 CPU: 9865.19, 0.00290195/step Wall: 9865.19, 0.00290195/step, 1.29105 hours remaining, 206.148438 MB of memory in use. ENERGY: 3398400 720.4993 2075.3132 1970.2812 107.9005 -205936.6956 17591.8155 0.0000 0.0000 34211.9855 -149258.9003 298.7818 -183470.8858 -149155.5354 299.0754 -37.9403 -4.7104 556134.4475 13.5488 13.4763 PRESSURE: 3398600 215.93 -127.166 -268.802 -127.165 371.335 35.6538 -268.802 35.6543 138.986 GPRESSURE: 3398600 204.475 -105.316 -182.952 -106.742 415.753 35.6675 -260.221 77.4582 195.237 PRESSAVG: 3398600 -12.6912 18.0514 -56.2833 18.0514 -5.93033 -0.940808 -56.2833 -0.940977 -11.9531 GPRESSAVG: 3398600 -13.2295 19.6259 -54.6115 17.5796 -7.47894 1.08828 -57.0264 -1.04725 -10.6643 TIMING: 3398600 CPU: 9865.77, 0.00288884/step Wall: 9865.77, 0.00288884/step, 1.28505 hours remaining, 206.148438 MB of memory in use. ENERGY: 3398600 746.9331 2063.7439 1985.1373 119.4915 -206242.2331 18004.6338 0.0000 0.0000 34088.1097 -149234.1838 297.6999 -183322.2935 -149138.3314 298.3623 242.0836 271.8217 555842.4017 -10.1915 -10.4576 PRESSURE: 3398800 209.045 133.763 132.784 133.763 -2.45362 -55.1321 132.783 -55.1347 -106.783 GPRESSURE: 3398800 242.632 60.3393 154.955 193.532 30.7768 -109.885 183.92 16.5724 -85.2618 PRESSAVG: 3398800 45.7958 16.2203 -43.4587 16.2203 -13.8921 18.404 -43.4588 18.404 10.6146 GPRESSAVG: 3398800 47.0674 17.5547 -42.6412 15.4011 -13.53 17.5587 -42.6373 17.5682 9.60037 TIMING: 3398800 CPU: 9866.35, 0.00288468/step Wall: 9866.35, 0.00288468/step, 1.28304 hours remaining, 206.148438 MB of memory in use. ENERGY: 3398800 759.1673 2077.9648 1948.5949 106.1823 -206451.1473 18042.1844 0.0000 0.0000 34151.5438 -149365.5099 298.2539 -183517.0537 -149272.2190 298.3285 33.2696 62.7158 558785.9181 14.1728 14.3792 PRESSURE: 3399000 -88.4813 -26.3084 -7.82271 -26.3085 -42.1523 11.6705 -7.82298 11.6708 113.292 GPRESSURE: 3399000 -60.7775 -8.45575 13.0624 -19.8729 -51.79 -28.3698 -25.5132 -13.0259 197.127 PRESSAVG: 3399000 33.0797 48.1117 39.0204 48.1116 -37.0932 9.90486 39.0202 9.90494 -32.1334 GPRESSAVG: 3399000 31.7098 45.9976 38.4579 49.1547 -36.4714 8.91362 38.4823 10.5925 -31.4526 TIMING: 3399000 CPU: 9866.93, 0.00289774/step Wall: 9866.93, 0.00289774/step, 1.28869 hours remaining, 206.148438 MB of memory in use. ENERGY: 3399000 731.5400 2096.6847 1957.7093 101.4603 -206432.9825 17892.3940 0.0000 0.0000 34229.7263 -149423.4679 298.9367 -183653.1942 -149323.2301 299.0551 -5.7804 28.1864 558647.4729 -12.0490 -12.0714 PRESSURE: 3399200 205.005 -143.15 -53.9807 -143.15 -91.1151 -115.117 -53.9818 -115.118 48.3708 GPRESSURE: 3399200 226.501 -127.197 16.8556 -139.996 -61.6568 -70.0197 -98.7229 -60.8691 91.8719 PRESSAVG: 3399200 99.6662 7.02528 28.8651 7.02525 -51.0108 -15.1395 28.8652 -15.1396 -83.0606 GPRESSAVG: 3399200 100.243 8.8882 28.3175 5.94757 -50.6228 -13.4618 28.8467 -15.1228 -83.7367 TIMING: 3399200 CPU: 9867.51, 0.00290766/step Wall: 9867.51, 0.00290766/step, 1.29294 hours remaining, 206.148438 MB of memory in use. ENERGY: 3399200 722.2551 2102.1986 1957.2500 110.0310 -206565.7276 17892.4366 0.0000 0.0000 34183.2632 -149598.2930 298.5309 -183781.5562 -149500.3340 298.2714 54.0867 85.5721 555683.7886 -11.4684 -11.3720 PRESSURE: 3399400 -29.9212 -34.0661 -67.6617 -34.0652 178.451 33.6004 -67.6632 33.6002 174.494 GPRESSURE: 3399400 15.1623 79.9139 -26.0561 -83.8129 193.215 41.1975 -47.7552 7.57336 207.106 PRESSAVG: 3399400 -20.3601 -4.81561 14.038 -4.81554 23.2274 -30.1304 14.0379 -30.1305 -27.222 GPRESSAVG: 3399400 -21.1948 -4.61267 13.6736 -3.60789 22.7521 -30.7737 13.9094 -30.4667 -26.1543 TIMING: 3399400 CPU: 9868.09, 0.00289523/step Wall: 9868.09, 0.00289523/step, 1.28725 hours remaining, 206.148438 MB of memory in use. ENERGY: 3399400 724.0338 2047.0493 1935.0520 107.6970 -206294.7011 17929.3575 0.0000 0.0000 34099.9450 -149451.5665 297.8033 -183551.5114 -149360.9248 298.4897 107.6745 138.4945 556854.9992 -8.1182 -8.1990 PRESSURE: 3399600 -9.35129 211.882 23.8012 211.884 -39.6755 14.14 23.8013 14.1385 56.9785 GPRESSURE: 3399600 -14.5723 147.229 -31.2967 160.536 52.5942 -32.2412 3.44836 39.3939 56.5166 PRESSAVG: 3399600 -1.2846 46.6758 -27.2861 46.6758 1.33243 -30.4983 -27.2861 -30.4982 15.8063 GPRESSAVG: 3399600 -0.416055 47.4078 -27.7203 47.0803 1.49407 -29.836 -27.924 -29.1939 15.057 TIMING: 3399600 CPU: 9868.67, 0.0029007/step Wall: 9868.67, 0.0029007/step, 1.28952 hours remaining, 206.148438 MB of memory in use. ENERGY: 3399600 699.9615 2099.5256 1985.1353 114.5951 -206085.4115 17717.7176 0.0000 0.0000 34060.8425 -149407.6340 297.4618 -183468.4765 -149313.3264 298.2461 2.6506 31.5128 556596.8129 5.2847 5.3783 PRESSURE: 3399800 -0.0793843 26.1986 -53.1422 26.1983 -67.9673 -26.5515 -53.1414 -26.552 26.7088 GPRESSURE: 3399800 14.5818 -57.5828 31.291 48.5786 -34.0903 -70.8588 -25.459 -47.5403 66.1737 PRESSAVG: 3399800 18.3596 61.7037 -34.6447 61.7038 -28.8013 -14.4851 -34.6447 -14.485 66.8107 GPRESSAVG: 3399800 18.6089 61.9382 -34.3991 60.3657 -30.0095 -14.5242 -33.4065 -15.3928 67.7862 TIMING: 3399800 CPU: 9869.25, 0.00288634/step Wall: 9869.25, 0.00288634/step, 1.28298 hours remaining, 206.148438 MB of memory in use. ENERGY: 3399800 698.2866 2010.2743 1955.3593 111.9589 -206413.7779 17843.3144 0.0000 0.0000 34446.0556 -149348.5287 300.8260 -183794.5843 -149249.7672 298.6711 -13.7793 15.5551 557423.7606 18.7897 18.7952 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400000 -6.85957 29.4754 -80.804 29.4755 117.411 -5.78439 -80.8036 -5.78367 455.614 GPRESSURE: 3400000 -38.4864 -5.62307 -65.6314 77.7572 189.862 -93.0458 1.91798 -3.5183 510.05 PRESSAVG: 3400000 30.2325 0.920391 25.4261 0.920389 -79.5253 -53.4384 25.4261 -53.4385 44.6273 GPRESSAVG: 3400000 28.5105 -1.62526 26.0018 1.94258 -77.6457 -54.437 25.0538 -53.1292 44.7673 TIMING: 3400000 CPU: 9869.84, 0.0029854/step Wall: 9869.84, 0.0029854/step, 1.32684 hours remaining, 206.148438 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: 3400000 672.8889 2073.1882 1965.9842 118.0323 -206348.6541 17923.5931 0.0000 0.0000 34035.5748 -149559.3925 297.2411 -183594.9673 -149458.0549 298.4053 188.7219 220.4750 557052.1099 -1.5552 -1.4560 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 PRESSURE: 3400200 -47.1124 123.207 15.9268 123.205 210.081 71.0467 15.9269 71.0473 33.5802 GPRESSURE: 3400200 32.5983 96.6837 -19.0466 186.988 266.023 66.0861 -64.4098 38.7715 0.715515 PRESSAVG: 3400200 -69.563 25.2936 -0.988846 25.2937 -43.1741 -50.9602 -0.988819 -50.9602 113.173 GPRESSAVG: 3400200 -69.6288 23.8827 -0.45916 26.9781 -43.8187 -52.3059 -2.45005 -49.0163 113.964 TIMING: 3400200 CPU: 9870.43, 0.00292342/step Wall: 9870.43, 0.00292342/step, 1.29913 hours remaining, 206.148438 MB of memory in use. ENERGY: 3400200 741.8224 2056.7783 1984.4369 116.2184 -206563.6196 18020.2702 0.0000 0.0000 34230.4282 -149413.6650 298.9428 -183644.0932 -149312.9367 297.5825 65.5162 99.7789 556828.0463 0.1452 0.1723 LDB: ============= START OF LOAD BALANCING ============== 9873.89 LDB: ============== END OF LOAD BALANCING =============== 9873.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9873.9 LDB: ============= START OF LOAD BALANCING ============== 9874.19 LDB: Largest compute 4820 load 0.029604 is 25.1% of average load 0.117837 LDB: Average compute 0.001715 is 1.5% of average load 0.117837 LDB: TIME 9874.19 LOAD: AVG 0.117837 MAX 0.178385 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 9874.19 LOAD: AVG 0.117837 MAX 0.178385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 9874.19 LOAD: AVG 0.117837 MAX 0.178385 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9874.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9874.2 PRESSURE: 3400400 67.6841 5.66331 -45.1171 5.66276 116.758 -11.7647 -45.1159 -11.7661 -125.839 GPRESSURE: 3400400 101.634 -6.4062 -145.132 83.2659 103.095 57.5874 -15.8205 -40.9429 -56.8266 PRESSAVG: 3400400 -36.2904 38.7441 -3.09539 38.7442 12.89 5.03828 -3.0954 5.0383 65.2734 GPRESSAVG: 3400400 -35.3858 40.8389 -6.23789 36.9435 12.1726 5.7404 -2.31014 4.20173 64.7656 TIMING: 3400400 CPU: 9871.02, 0.00296635/step Wall: 9871.02, 0.00296635/step, 1.31805 hours remaining, 206.320312 MB of memory in use. ENERGY: 3400400 722.1424 2055.1939 1949.9182 108.3647 -206212.0484 17790.3593 0.0000 0.0000 34251.7430 -149334.3269 299.1290 -183586.0699 -149239.7270 299.2676 19.5347 49.3010 557060.1778 13.9577 13.8508 PRESSURE: 3400600 -20.3693 -1.03556 21.1559 -1.03546 -44.7529 16.8992 21.1549 16.8991 202.381 GPRESSURE: 3400600 49.2133 -100.293 81.8887 32.2638 20.4429 -28.4832 35.3146 92.4901 158.652 PRESSAVG: 3400600 10.5067 61.8446 54.6372 61.8446 -16.523 46.8594 54.6372 46.8594 10.337 GPRESSAVG: 3400600 10.0613 62.9668 59.3241 62.2682 -15.1735 48.961 54.2988 46.4694 9.64071 TIMING: 3400600 CPU: 9871.6, 0.00289032/step Wall: 9871.6, 0.00289032/step, 1.2841 hours remaining, 206.523438 MB of memory in use. ENERGY: 3400600 697.0749 2080.8483 1941.9636 107.0813 -206163.8011 17773.5783 0.0000 0.0000 34167.4728 -149395.7820 298.3930 -183563.2548 -149297.4330 298.5773 45.7531 76.1028 556648.1026 1.4402 1.5095 PRESSURE: 3400800 -95.2276 -4.5277 3.99883 -4.52839 -99.9965 309.136 3.99846 309.135 -66.2319 GPRESSURE: 3400800 -162.54 60.0478 26.7209 22.7576 -52.5324 235.82 76.7876 358.657 47.1508 PRESSAVG: 3400800 2.98961 51.8293 51.8348 51.8293 -18.6743 34.1307 51.8349 34.1307 51.3049 GPRESSAVG: 3400800 3.43847 50.1896 50.7729 50.5952 -19.4966 34.3506 51.8459 34.0674 51.2731 TIMING: 3400800 CPU: 9872.18, 0.00290698/step Wall: 9872.18, 0.00290698/step, 1.29135 hours remaining, 206.523438 MB of memory in use. ENERGY: 3400800 761.5755 2035.5324 1961.7737 124.0421 -206288.0495 17661.0526 0.0000 0.0000 34438.2571 -149305.8161 300.7579 -183744.0732 -149203.9553 298.9402 -87.1520 -55.9740 557848.3618 11.8734 11.7383 PRESSURE: 3401000 -308.199 161.811 8.60454 161.81 -123.987 -91.3926 8.60561 -91.394 -28.3405 GPRESSURE: 3401000 -288.987 151.015 4.87024 178.669 -87.0965 -85.9802 26.0271 -109.119 5.76024 PRESSAVG: 3401000 -34.8495 24.9266 2.36229 24.9265 34.1105 -1.20207 2.36228 -1.2021 -12.4143 GPRESSAVG: 3401000 -33.565 25.8511 1.96921 25.7089 32.1016 -2.32409 2.2958 -2.32807 -11.8793 TIMING: 3401000 CPU: 9872.76, 0.00290487/step Wall: 9872.76, 0.00290487/step, 1.29025 hours remaining, 206.523438 MB of memory in use. ENERGY: 3401000 756.3674 2061.3750 1971.6462 120.6915 -206261.2267 17865.5423 0.0000 0.0000 34320.7709 -149164.8334 299.7318 -183485.6043 -149071.4574 299.0197 -153.5086 -123.4411 558294.6753 -4.3844 -4.4476 PRESSURE: 3401200 -67.4828 -35.3234 -1.06809 -35.3235 290.223 52.65 -1.06748 52.6498 235.871 GPRESSURE: 3401200 -18.3018 1.01716 -7.23073 -53.5461 333.384 65.1756 94.5005 38.6804 238.903 PRESSAVG: 3401200 -89.9041 -13.5672 8.85962 -13.5671 40.4286 33.327 8.85965 33.327 42.5031 GPRESSAVG: 3401200 -90.8457 -13.186 8.90096 -13.8264 42.6321 35.1953 11.7202 32.5927 41.5264 TIMING: 3401200 CPU: 9873.34, 0.0028928/step Wall: 9873.34, 0.0028928/step, 1.28473 hours remaining, 206.523438 MB of memory in use. ENERGY: 3401200 726.5477 2058.1781 1972.4128 128.9479 -206404.7885 18115.2302 0.0000 0.0000 34203.0689 -149200.4029 298.7039 -183403.4717 -149105.2419 298.3740 152.8705 184.6619 556864.8432 -2.3241 -2.2291 PRESSURE: 3401400 326.006 88.9406 -31.5754 88.9421 -9.61226 29.6498 -31.5756 29.6507 -124.889 GPRESSURE: 3401400 328.818 140.657 -49.7976 114.343 26.9887 42.5737 -56.1534 -3.49545 -75.423 PRESSAVG: 3401400 7.59152 13.1346 -22.4302 13.1347 -54.8402 -7.99798 -22.4301 -7.99789 31.9782 GPRESSAVG: 3401400 7.56904 14.079 -22.665 14.1744 -54.6779 -10.3279 -26.135 -9.45093 32.1621 TIMING: 3401400 CPU: 9873.92, 0.00289468/step Wall: 9873.92, 0.00289468/step, 1.2854 hours remaining, 206.523438 MB of memory in use. ENERGY: 3401400 759.3769 2094.0551 1956.1646 113.1789 -206200.5878 17860.7299 0.0000 0.0000 34141.7854 -149275.2969 298.1687 -183417.0823 -149185.1572 299.0273 63.8348 93.4612 557019.0185 -5.0902 -4.9823 PRESSURE: 3401600 150.775 -46.1796 10.4258 -46.1813 -116.736 94.9925 10.4257 94.9897 -221.82 GPRESSURE: 3401600 193.489 -51.4622 -73.8939 -42.9029 -115.285 40.3477 11.6205 133.252 -176.683 PRESSAVG: 3401600 14.7861 -0.851042 -25.6237 -0.851069 24.9014 -25.3424 -25.6237 -25.3424 -2.24179 GPRESSAVG: 3401600 14.7691 -1.14364 -27.1994 -2.0053 24.4495 -24.7318 -23.7562 -23.9244 -1.96367 TIMING: 3401600 CPU: 9874.5, 0.00289204/step Wall: 9874.5, 0.00289204/step, 1.28406 hours remaining, 206.523438 MB of memory in use. ENERGY: 3401600 745.7714 2086.3492 1937.7766 102.0647 -206285.4127 17849.2907 0.0000 0.0000 34265.1511 -149299.0090 299.2461 -183564.1601 -149206.5181 299.4119 -62.5938 -32.8261 558063.3734 12.4819 12.4183 PRESSURE: 3401800 -6.55003 -117.983 47.6019 -117.983 83.4668 -141.489 47.6012 -141.49 -43.8251 GPRESSURE: 3401800 32.5145 -110.841 44.0754 -93.8072 126.049 -195.78 65.8812 -72.8489 -35.4693 PRESSAVG: 3401800 13.2236 25.7348 10.8389 25.7348 -19.225 -49.1603 10.8388 -49.1603 -18.3732 GPRESSAVG: 3401800 13.4627 24.1484 12.4412 25.9614 -19.4749 -48.8872 9.75555 -49.2877 -19.1131 TIMING: 3401800 CPU: 9875.07, 0.0028683/step Wall: 9875.07, 0.0028683/step, 1.27336 hours remaining, 206.523438 MB of memory in use. ENERGY: 3401800 734.4077 2069.3965 1964.0943 113.7340 -206143.7458 17683.7562 0.0000 0.0000 34188.2382 -149390.1189 298.5744 -183578.3571 -149296.1822 299.3149 11.0305 41.0313 556066.8974 -8.1249 -8.3751 PRESSURE: 3402000 37.5524 -18.257 46.736 -18.2563 13.6927 94.6438 46.7367 94.6438 -52.913 GPRESSURE: 3402000 -0.832212 20.2523 111.67 -45.9639 69.5045 31.4692 -65.1711 45.2477 32.2561 PRESSAVG: 3402000 21.9992 33.2877 -3.98654 33.2877 -26.8619 18.4618 -3.9865 18.4618 -12.0984 GPRESSAVG: 3402000 21.0832 36.0542 -4.20354 32.5657 -26.0261 16.946 -2.99517 18.3921 -11.7741 TIMING: 3402000 CPU: 9875.65, 0.00288343/step Wall: 9875.65, 0.00288343/step, 1.27992 hours remaining, 206.523438 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: 3402000 719.2491 2037.1629 1957.0758 97.4164 -206071.9955 17881.9077 0.0000 0.0000 33961.3454 -149417.8383 296.5929 -183379.1837 -149319.9782 298.4011 -0.5560 33.6428 556879.5204 -5.6537 -5.5723 PRESSURE: 3402200 42.7627 -90.3834 99.3907 -90.3825 74.4962 129.125 99.3913 129.124 -147.569 GPRESSURE: 3402200 92.2363 -84.6305 76.9762 -123.648 86.0313 73.0199 174.762 206.636 -122.173 PRESSAVG: 3402200 24.0255 -6.45191 -18.6731 -6.45208 47.9088 35.1632 -18.6731 35.1632 -32.7023 GPRESSAVG: 3402200 24.3347 -9.48597 -18.4421 -6.5221 47.812 38.757 -18.9657 34.2095 -33.2531 TIMING: 3402200 CPU: 9876.23, 0.00288779/step Wall: 9876.23, 0.00288779/step, 1.2817 hours remaining, 206.523438 MB of memory in use. ENERGY: 3402200 746.9732 2120.3307 1951.4218 103.2104 -206236.0977 17901.3435 0.0000 0.0000 34189.5130 -149223.3051 298.5855 -183412.8181 -149128.2728 298.3119 -10.1034 18.6982 556572.7338 13.0773 12.9645 PRESSURE: 3402400 -141.862 172.041 -110.638 172.041 120.745 -54.4034 -110.638 -54.4023 -447.344 GPRESSURE: 3402400 -101.235 214.061 -23.3864 137.714 139.116 -70.8214 -48.642 -77.0484 -407.209 PRESSAVG: 3402400 63.3578 14.2443 -20.2715 14.2444 0.982352 -25.4309 -20.2716 -25.4309 -52.8472 GPRESSAVG: 3402400 64.0728 16.6558 -20.1243 13.1974 -0.472982 -27.1908 -22.4864 -24.6249 -52.8111 TIMING: 3402400 CPU: 9876.81, 0.00291575/step Wall: 9876.81, 0.00291575/step, 1.29395 hours remaining, 206.523438 MB of memory in use. ENERGY: 3402400 772.4387 2075.9769 1936.1223 112.6650 -205531.5754 17531.5275 0.0000 0.0000 34044.0451 -149058.7998 297.3151 -183102.8449 -148956.8030 299.0429 -156.1537 -123.1092 557666.5171 3.8310 3.5962 PRESSURE: 3402600 -187.837 -107.078 82.3153 -107.079 -75.5918 62.9014 82.3162 62.9016 -468.907 GPRESSURE: 3402600 -115.017 -137.49 9.17278 -76.1606 -50.2864 -61.7584 139.137 72.2905 -461.45 PRESSAVG: 3402600 43.4568 3.42077 12.583 3.42077 -53.6665 -33.244 12.583 -33.2439 2.84676 GPRESSAVG: 3402600 43.2724 1.25219 9.49593 4.99346 -54.351 -33.9009 17.1548 -33.1801 3.8067 TIMING: 3402600 CPU: 9877.39, 0.00293195/step Wall: 9877.39, 0.00293195/step, 1.30097 hours remaining, 206.523438 MB of memory in use. ENERGY: 3402600 736.5889 2075.2367 1952.8546 125.1909 -205445.2615 17325.1444 0.0000 0.0000 34069.5495 -149160.6966 297.5378 -183230.2461 -149063.1658 298.6499 -244.1120 -208.9177 557947.0942 -2.4543 -2.4239 PRESSURE: 3402800 -66.0499 -206.845 65.251 -206.844 -217.456 9.40479 65.2521 9.40429 -245.898 GPRESSURE: 3402800 -47.3349 -204.59 129.861 -170.424 -202.554 21.5334 66.9698 -90.8648 -186.475 PRESSAVG: 3402800 46.3734 -31.2826 -4.06476 -31.2826 -29.8648 13.5156 -4.06475 13.5156 22.7515 GPRESSAVG: 3402800 44.6706 -30.5456 -0.4823 -30.7104 -27.9414 11.6644 -6.69865 16.8326 22.1611 TIMING: 3402800 CPU: 9877.97, 0.00289941/step Wall: 9877.97, 0.00289941/step, 1.28637 hours remaining, 206.523438 MB of memory in use. ENERGY: 3402800 784.1623 2049.0118 1987.2519 118.7838 -205981.1680 17539.3704 0.0000 0.0000 34276.1213 -149226.4665 299.3419 -183502.5878 -149135.3586 298.6402 -176.4679 -145.4547 558218.5385 13.0867 12.9634 PRESSURE: 3403000 122.172 -118.806 62.43 -118.807 250.024 32.2719 62.4304 32.2697 100.766 GPRESSURE: 3403000 161.72 -171.09 31.8678 -71.0196 259.884 -7.08807 86.9057 109.458 142.875 PRESSAVG: 3403000 14.7132 -20.6963 16.978 -20.6964 12.0211 7.43182 16.9779 7.43182 -2.80781 GPRESSAVG: 3403000 16.6249 -21.4057 15.1687 -20.7142 10.0823 9.49562 16.9915 5.34737 -2.92273 TIMING: 3403000 CPU: 9878.56, 0.00291964/step Wall: 9878.56, 0.00291964/step, 1.29519 hours remaining, 206.523438 MB of memory in use. ENERGY: 3403000 743.1027 2062.5833 1978.0172 106.9577 -206650.2156 18173.0613 0.0000 0.0000 34224.8681 -149361.6254 298.8943 -183586.4934 -149265.6335 298.3840 157.6538 188.1598 557392.1041 7.9755 7.9282 PRESSURE: 3403200 -30.4499 -5.32775 129.674 -5.32764 -200.053 -70.3834 129.675 -70.382 -107.035 GPRESSURE: 3403200 3.32134 57.6699 162.777 -83.0805 -148.433 -163.084 140.222 -52.5126 -97.2404 PRESSAVG: 3403200 59.3668 -25.5459 1.80324 -25.546 -7.80415 20.9561 1.80328 20.9562 30.5626 GPRESSAVG: 3403200 57.953 -23.8457 0.389284 -28.3062 -6.76415 19.9355 2.76593 21.2224 30.8233 TIMING: 3403200 CPU: 9879.14, 0.00292273/step Wall: 9879.14, 0.00292273/step, 1.29639 hours remaining, 206.523438 MB of memory in use. ENERGY: 3403200 734.4259 2055.7314 1973.2918 113.0782 -206048.4577 17661.2593 0.0000 0.0000 34166.8760 -149343.7951 298.3878 -183510.6711 -149245.5876 298.4425 -112.5124 -80.7839 557958.3283 27.3751 27.3374 PRESSURE: 3403400 -90.0123 126.012 88.8627 126.012 114.619 3.9929 88.8619 3.99315 -103.459 GPRESSURE: 3403400 -73.2298 127.362 89.3325 52.2899 166.491 83.4866 47.3228 -8.04181 -81.6378 PRESSAVG: 3403400 -27.3653 -29.4688 -6.81471 -29.4688 31.6038 33.4524 -6.81461 33.4523 -15.0177 GPRESSAVG: 3403400 -25.9902 -29.9249 -3.31732 -28.9983 30.2216 34.9819 -8.30996 33.2552 -14.7362 TIMING: 3403400 CPU: 9879.72, 0.00290912/step Wall: 9879.72, 0.00290912/step, 1.2902 hours remaining, 206.523438 MB of memory in use. ENERGY: 3403400 760.7720 2071.5985 2007.4930 111.7012 -206331.9352 17781.8040 0.0000 0.0000 34336.3989 -149262.1676 299.8683 -183598.5665 -149166.9097 298.7629 -26.2841 3.8745 557427.2139 -3.5931 -3.5016 PRESSURE: 3403600 -176.034 -144.132 114.153 -144.132 228.528 -93.5862 114.153 -93.5864 -115.54 GPRESSURE: 3403600 -104.303 -97.8863 161.051 -147.284 231.261 -165.002 96.5148 -64.5834 -100.007 PRESSAVG: 3403600 -32.3237 28.7942 -56.463 28.7941 101.586 21.8855 -56.463 21.8854 -95.7566 GPRESSAVG: 3403600 -32.7195 28.5092 -57.4826 30.4121 102.41 19.4753 -55.4335 23.0613 -96.1526 TIMING: 3403600 CPU: 9880.31, 0.00290553/step Wall: 9880.31, 0.00290553/step, 1.28844 hours remaining, 206.648438 MB of memory in use. ENERGY: 3403600 753.5202 2049.6707 1972.6094 122.6789 -206148.7134 17577.0178 0.0000 0.0000 34264.2522 -149408.9642 299.2382 -183673.2164 -149304.6972 297.6904 -21.0151 8.9839 556761.9052 -8.8316 -8.8206 PRESSURE: 3403800 174.27 63.1739 -16.6312 63.1744 -80.2335 61.483 -16.6323 61.4829 91.3905 GPRESSURE: 3403800 163.029 23.5238 1.09665 74.9733 -45.126 102.863 -45.8923 60.3109 161.477 PRESSAVG: 3403800 0.532577 -33.3563 -24.6761 -33.3562 -17.1575 -1.68631 -24.6762 -1.68631 2.4099 GPRESSAVG: 3403800 0.827099 -32.5973 -26.1542 -32.2806 -16.3426 0.21565 -24.0244 -3.23043 1.33961 TIMING: 3403800 CPU: 9880.89, 0.00290706/step Wall: 9880.89, 0.00290706/step, 1.28896 hours remaining, 206.648438 MB of memory in use. ENERGY: 3403800 736.1459 2082.6696 1979.7198 119.3628 -206384.8378 17925.4765 0.0000 0.0000 34191.0443 -149350.4190 298.5989 -183541.4633 -149259.1692 297.8081 61.8090 93.1270 557380.3735 -4.7384 -4.7253 PRESSURE: 3404000 248.963 41.0079 -85.6078 41.0075 51.9845 16.8626 -85.6075 16.8616 -99.3341 GPRESSURE: 3404000 318.864 12.9087 -129.864 84.1077 19.9265 44.409 -76.1278 -19.4148 -36.139 PRESSAVG: 3404000 6.51279 18.7576 -15.7799 18.7576 -47.0053 26.9282 -15.78 26.9282 81.7263 GPRESSAVG: 3404000 6.28376 17.0712 -15.2544 18.8745 -47.304 26.5087 -16.2098 25.6277 82.261 TIMING: 3404000 CPU: 9881.47, 0.0028932/step Wall: 9881.47, 0.0028932/step, 1.28265 hours remaining, 206.718750 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: 3404000 742.1607 2102.6852 1967.9170 115.6101 -206690.5041 18050.0530 0.0000 0.0000 34234.8975 -149477.1805 298.9819 -183712.0780 -149379.2947 298.0464 67.2045 100.8837 556677.3128 13.7446 13.7469 PRESSURE: 3404200 28.6966 41.3898 1.65107 41.3885 205.506 -60.4516 1.65009 -60.4501 27.8676 GPRESSURE: 3404200 69.5781 62.7581 -40.357 142.133 234.122 -152.803 41.4394 -27.215 62.2323 PRESSAVG: 3404200 40.7341 17.8431 0.918044 17.8432 -36.8716 -28.4616 0.918034 -28.4616 54.3376 GPRESSAVG: 3404200 42.0693 17.4028 0.818048 17.7329 -37.3385 -28.6387 0.203219 -26.9798 53.0979 TIMING: 3404200 CPU: 9882.05, 0.00289463/step Wall: 9882.05, 0.00289463/step, 1.28312 hours remaining, 206.718750 MB of memory in use. ENERGY: 3404200 718.5641 2057.3293 1975.2080 100.3544 -206469.8598 17986.3776 0.0000 0.0000 34121.8341 -149510.1922 297.9945 -183632.0263 -149421.1318 298.5543 87.3567 121.9774 557389.6609 19.4000 19.2762 LDB: ============= START OF LOAD BALANCING ============== 9885.51 LDB: ============== END OF LOAD BALANCING =============== 9885.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9885.51 LDB: ============= START OF LOAD BALANCING ============== 9885.8 LDB: Largest compute 4820 load 0.029918 is 25.4% of average load 0.117836 LDB: Average compute 0.001721 is 1.5% of average load 0.117836 LDB: TIME 9885.8 LOAD: AVG 0.117836 MAX 0.177185 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 9885.8 LOAD: AVG 0.117836 MAX 0.177185 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 9885.8 LOAD: AVG 0.117836 MAX 0.177185 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9885.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9885.81 PRESSURE: 3404400 -200.121 33.0515 -108.06 33.0516 124.256 -14.7089 -108.06 -14.7096 -208.665 GPRESSURE: 3404400 -169.851 -11.9052 -83.1751 9.49358 73.3063 25.1063 -67.2937 -50.899 -95.7694 PRESSAVG: 3404400 -21.7398 14.215 -5.46667 14.215 27.7293 -75.4674 -5.46665 -75.4675 -2.61845 GPRESSAVG: 3404400 -21.8608 15.8247 -4.30685 13.4341 27.9198 -74.6408 -3.80125 -77.1716 -2.01169 TIMING: 3404400 CPU: 9882.64, 0.00295421/step Wall: 9882.64, 0.00295421/step, 1.30937 hours remaining, 205.710938 MB of memory in use. ENERGY: 3404400 730.0362 2165.6519 1967.7141 107.3641 -206333.5793 17805.4333 0.0000 0.0000 33987.1829 -149570.1967 296.8185 -183557.3796 -149485.7251 298.5221 -94.8433 -64.1048 558898.1901 1.1237 1.3491 PRESSURE: 3404600 -314.936 -123.969 81.2592 -123.97 -63.7671 20.7415 81.2593 20.7403 222.651 GPRESSURE: 3404600 -255.631 -160.045 65.7833 -111.734 -22.4902 74.7772 145.193 -32.5792 217.442 PRESSAVG: 3404600 -20.919 9.21499 66.0601 9.21493 67.0156 -54.0307 66.0601 -54.0307 -25.4717 GPRESSAVG: 3404600 -20.0654 7.02118 64.8238 11.7366 67.3263 -53.1891 67.8149 -54.4337 -26.2958 TIMING: 3404600 CPU: 9883.22, 0.0029118/step Wall: 9883.22, 0.0029118/step, 1.29041 hours remaining, 205.968750 MB of memory in use. ENERGY: 3404600 738.7956 2033.1828 1971.8394 109.7297 -206410.4729 17730.6961 0.0000 0.0000 34224.0568 -149602.1726 298.8872 -183826.2293 -149511.1891 298.1553 -52.0174 -20.2264 556513.1300 6.8750 6.9884 PRESSURE: 3404800 -163.969 -44.3407 81.1304 -44.3402 -86.4659 -142.047 81.1313 -142.046 -136.902 GPRESSURE: 3404800 -168.646 -41.4706 57.1736 -54.0093 -44.3711 -150.863 90.883 -122.799 -88.6857 PRESSAVG: 3404800 28.9221 -45.8754 51.6594 -45.8754 50.6498 29.9397 51.6593 29.9398 -57.321 GPRESSAVG: 3404800 28.4319 -46.3364 53.3489 -47.1911 50.5066 28.0414 48.0756 30.8874 -57.3647 TIMING: 3404800 CPU: 9883.8, 0.00293183/step Wall: 9883.8, 0.00293183/step, 1.29913 hours remaining, 205.968750 MB of memory in use. ENERGY: 3404800 727.6993 2096.8663 1960.8455 100.9445 -206385.4132 17734.1135 0.0000 0.0000 34190.5764 -149574.3677 298.5948 -183764.9441 -149477.1648 298.2105 -129.1124 -100.5677 557580.9754 7.4170 7.1912 PRESSURE: 3405000 -128.511 196.544 -27.6752 196.544 78.0163 -17.3145 -27.6754 -17.3144 -431.179 GPRESSURE: 3405000 -80.5847 212.4 9.73723 127.821 57.5357 6.60154 10.8699 -79.5059 -354.792 PRESSAVG: 3405000 41.0694 45.9991 -4.6088 45.9993 58.5828 -13.1777 -4.60874 -13.1776 -22.0566 GPRESSAVG: 3405000 40.4105 46.3544 -6.21371 45.2997 58.851 -11.8229 -3.38463 -12.2509 -21.6222 TIMING: 3405000 CPU: 9884.38, 0.00289949/step Wall: 9884.38, 0.00289949/step, 1.28464 hours remaining, 205.968750 MB of memory in use. ENERGY: 3405000 756.6378 2092.1321 1940.3801 104.5651 -205905.7819 17646.0061 0.0000 0.0000 33993.6432 -149372.4174 296.8749 -183366.0606 -149275.7345 299.0306 -160.5578 -125.9471 556617.7627 25.8652 25.8798 PRESSURE: 3405200 -46.1464 -51.9622 -97.2721 -51.9624 6.1208 28.1872 -97.2712 28.188 -158.902 GPRESSURE: 3405200 54.8681 -58.6699 -59.6442 28.3081 18.6781 92.6896 -134.331 5.05831 -163.319 PRESSAVG: 3405200 24.5669 -7.63363 49.2534 -7.63369 59.2843 1.46926 49.2534 1.46918 -80.4721 GPRESSAVG: 3405200 24.4236 -7.00651 52.1189 -8.03184 59.2398 2.27896 48.8641 0.123519 -80.5412 TIMING: 3405200 CPU: 9884.96, 0.0028796/step Wall: 9884.96, 0.0028796/step, 1.27566 hours remaining, 205.968750 MB of memory in use. ENERGY: 3405200 762.5288 2106.1353 1925.9752 115.3777 -206178.5169 17856.5444 0.0000 0.0000 34112.1378 -149299.8177 297.9098 -183411.9555 -149202.2460 298.6263 -66.3093 -29.9243 556014.3975 1.1263 1.0407 PRESSURE: 3405400 283.346 -6.06933 159.741 -6.06779 72.5671 -192.832 159.741 -192.831 83.7321 GPRESSURE: 3405400 287.672 -153.701 131.472 -18.8061 126.633 -176.136 170.974 -138.229 125.239 PRESSAVG: 3405400 8.02106 12.5247 18.5848 12.5248 48.8326 87.7487 18.5847 87.7487 -93.7143 GPRESSAVG: 3405400 9.121 12.9924 15.1367 11.9969 48.9059 87.8059 19.5437 88.9644 -94.3269 TIMING: 3405400 CPU: 9885.54, 0.00291022/step Wall: 9885.54, 0.00291022/step, 1.28907 hours remaining, 205.968750 MB of memory in use. ENERGY: 3405400 726.6421 2034.0993 1936.6446 102.5328 -206396.0302 17928.2735 0.0000 0.0000 34247.1273 -149420.7107 299.0887 -183667.8380 -149324.3712 299.1202 146.5485 179.8478 555265.7539 -12.2869 -12.1000 PRESSURE: 3405600 -26.7606 -60.4934 -8.49173 -60.4921 100.848 -155.866 -8.49257 -155.867 108.078 GPRESSURE: 3405600 -9.88818 -35.1283 -61.4737 -108.891 175.254 -166.635 6.43998 -196.482 118.744 PRESSAVG: 3405600 -7.92659 -41.2746 -52.4005 -41.2746 57.4707 36.6109 -52.4004 36.6109 -23.3106 GPRESSAVG: 3405600 -8.01969 -42.3821 -51.6736 -39.1867 58.1097 35.7381 -52.1395 34.9759 -23.1426 TIMING: 3405600 CPU: 9886.12, 0.00290835/step Wall: 9886.12, 0.00290835/step, 1.28808 hours remaining, 205.968750 MB of memory in use. ENERGY: 3405600 735.4477 2079.1693 1972.6074 119.9443 -206303.3748 17990.1001 0.0000 0.0000 33967.5484 -149438.5575 296.6470 -183406.1059 -149347.3946 298.6474 60.7221 94.7034 557518.3521 8.7445 8.9825 PRESSURE: 3405800 45.4879 -335.262 -8.13627 -335.263 13.3803 47.2354 -8.13659 47.234 -158.987 GPRESSURE: 3405800 69.8291 -389.676 -24.177 -307.607 35.044 38.3587 31.445 52.023 -108.355 PRESSAVG: 3405800 5.16903 -11.4634 -4.8903 -11.4634 87.2724 -17.4415 -4.89028 -17.4415 -59.1108 GPRESSAVG: 3405800 6.08875 -11.736 -2.35271 -10.3318 86.7003 -18.2539 -6.71166 -16.7154 -59.4809 TIMING: 3405800 CPU: 9886.71, 0.00290907/step Wall: 9886.71, 0.00290907/step, 1.28823 hours remaining, 205.968750 MB of memory in use. ENERGY: 3405800 723.0836 2142.8296 1982.0725 114.3947 -206333.0731 17768.6112 0.0000 0.0000 34252.5941 -149349.4874 299.1364 -183602.0816 -149263.5511 299.2961 -33.3730 -1.1606 556515.6050 11.1102 11.1027 PRESSURE: 3406000 -177.42 86.4529 -57.3298 86.4533 20.111 114.772 -57.3295 114.769 8.5786 GPRESSURE: 3406000 -134.87 24.7037 -127.81 45.1295 39.0497 50.0097 -25.8512 96.2294 39.636 PRESSAVG: 3406000 -113.929 -22.5148 23.8197 -22.5148 13.0577 57.2152 23.8197 57.2151 50.1318 GPRESSAVG: 3406000 -114.775 -22.0827 20.9938 -24.0344 12.6994 57.2788 26.4295 57.5566 51.2429 TIMING: 3406000 CPU: 9887.29, 0.00292173/step Wall: 9887.29, 0.00292173/step, 1.29368 hours remaining, 205.968750 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: 3406000 764.3525 2052.6185 1984.1645 123.7331 -206306.4927 17891.6833 0.0000 0.0000 34103.7931 -149386.1477 297.8369 -183489.9407 -149295.4216 299.0979 -49.5769 -18.7281 557613.5975 -16.9132 -16.9442 PRESSURE: 3406200 -112.704 -124.556 110.628 -124.556 102.943 12.9786 110.629 12.9772 -74.6902 GPRESSURE: 3406200 -29.0878 -55.6439 66.7017 -97.4356 124.688 -32.4839 78.1105 9.11242 -90.5709 PRESSAVG: 3406200 -62.8989 29.7151 36.7364 29.7152 25.9565 19.9903 36.7364 19.9904 53.5097 GPRESSAVG: 3406200 -63.0888 29.172 38.0353 30.1647 27.3088 19.3098 34.6346 21.1371 52.3398 TIMING: 3406200 CPU: 9887.87, 0.00291503/step Wall: 9887.87, 0.00291503/step, 1.29055 hours remaining, 205.968750 MB of memory in use. ENERGY: 3406200 712.6108 2067.7234 1939.3405 111.3653 -206025.7804 17663.0347 0.0000 0.0000 34307.5119 -149224.1937 299.6160 -183531.7056 -149129.9295 298.9925 -28.1501 1.6764 557795.7880 5.5224 5.5199 PRESSURE: 3406400 -238.395 -47.1417 -156.363 -47.1406 -97.0557 -81.0727 -156.364 -81.072 -363.679 GPRESSURE: 3406400 -190.07 20.3758 -132.038 11.7392 -92.6628 -16.6796 -163.98 -126.454 -308.628 PRESSAVG: 3406400 -16.7983 -3.74975 25.1802 -3.74981 70.0484 6.78797 25.1802 6.78797 -50.5327 GPRESSAVG: 3406400 -15.7963 -2.11938 25.7019 -2.67688 68.4713 8.99243 24.7864 4.86259 -50.3327 TIMING: 3406400 CPU: 9888.45, 0.00290825/step Wall: 9888.45, 0.00290825/step, 1.28739 hours remaining, 205.968750 MB of memory in use. ENERGY: 3406400 747.6574 2131.3897 1936.1650 119.7858 -205592.5777 17399.3732 0.0000 0.0000 34060.3901 -149197.8166 297.4579 -183258.2066 -149104.8376 299.2957 -233.0431 -197.1201 558676.8171 0.9058 0.7808 PRESSURE: 3406600 163.754 -32.3119 139.779 -32.3112 22.0361 -147.712 139.779 -147.713 159.997 GPRESSURE: 3406600 180.207 29.4213 141.205 -68.0296 22.3445 -305.441 111.236 -94.2494 248.956 PRESSAVG: 3406600 -26.1118 10.7859 -4.94777 10.786 92.7493 6.32307 -4.94775 6.3231 9.54411 GPRESSAVG: 3406600 -27.2751 11.3592 -6.92979 9.84933 93.3869 4.87472 -4.21434 6.24108 9.83179 TIMING: 3406600 CPU: 9889.04, 0.0029006/step Wall: 9889.04, 0.0029006/step, 1.28384 hours remaining, 205.968750 MB of memory in use. ENERGY: 3406600 742.8915 2093.3545 1969.4674 114.4180 -206453.4693 17967.4778 0.0000 0.0000 34362.6551 -149203.2050 300.0976 -183565.8600 -149103.5760 299.5153 115.2624 150.5025 556224.7322 25.3939 25.3145 PRESSURE: 3406800 -187.14 68.9501 -123.918 68.9514 -52.6645 42.6416 -123.918 42.6417 152.568 GPRESSURE: 3406800 -133.019 -40.5293 -100.4 108.397 41.0054 142.104 -184.763 -34.3351 102.118 PRESSAVG: 3406800 -30.0615 4.93101 -62.0234 4.93102 0.71806 10.3035 -62.0233 10.3035 24.3019 GPRESSAVG: 3406800 -30.2482 3.59421 -60.0755 4.12393 0.19567 12.2317 -61.1607 9.29448 25.1944 TIMING: 3406800 CPU: 9889.62, 0.00292248/step Wall: 9889.62, 0.00292248/step, 1.29336 hours remaining, 205.968750 MB of memory in use. ENERGY: 3406800 712.3030 2146.6670 1941.6508 101.8544 -205947.4813 17702.7932 0.0000 0.0000 34197.9382 -149144.2747 298.6591 -183342.2128 -149055.8101 298.9916 -29.0788 3.3681 558187.7060 -1.6805 -1.6194 PRESSURE: 3407000 82.3066 -18.4476 -103.61 -18.4481 -121.347 174.366 -103.608 174.366 -295.264 GPRESSURE: 3407000 34.2177 28.5115 -6.00795 -139.817 -58.5171 151.932 -53.0801 128.325 -209.104 PRESSAVG: 3407000 15.7598 32.7541 -55.3667 32.7541 -35.548 41.2618 -55.3667 41.2618 10.9238 GPRESSAVG: 3407000 15.7334 31.7187 -56.1815 31.9611 -34.9855 40.0852 -55.4907 43.9718 10.985 TIMING: 3407000 CPU: 9890.2, 0.00291333/step Wall: 9890.2, 0.00291333/step, 1.28915 hours remaining, 205.968750 MB of memory in use. ENERGY: 3407000 779.6107 2122.2546 1956.3669 107.8576 -206288.8195 17866.5677 0.0000 0.0000 34323.9588 -149132.2030 299.7597 -183456.1618 -149035.1130 298.8509 -111.4350 -77.8013 557963.0079 -2.9548 -2.7557 PRESSURE: 3407200 -77.3431 -57.0463 -89.2891 -57.0473 82.6397 -23.1547 -89.29 -23.155 -154.895 GPRESSURE: 3407200 -45.5608 -79.9999 -156.508 -13.715 137.719 -95.1688 -139.158 62.5486 -149.075 PRESSAVG: 3407200 42.3713 -19.1805 -20.5954 -19.1805 -75.6132 1.69211 -20.5954 1.69204 -20.5651 GPRESSAVG: 3407200 43.5298 -17.6341 -21.7577 -18.5383 -75.8084 3.86727 -21.3394 0.207056 -21.7368 TIMING: 3407200 CPU: 9890.78, 0.00290235/step Wall: 9890.78, 0.00290234/step, 1.28413 hours remaining, 205.968750 MB of memory in use. ENERGY: 3407200 701.9908 2159.5190 1971.2010 114.7686 -206229.4462 17815.5128 0.0000 0.0000 34331.0726 -149135.3815 299.8218 -183466.4540 -149039.2485 299.4942 -49.8663 -18.9722 559260.1116 -17.9357 -18.0052 PRESSURE: 3407400 -164.722 -16.8844 -45.8197 -16.885 -41.0311 133.901 -45.8196 133.901 21.98 GPRESSURE: 3407400 -73.8629 -20.0737 31.4767 -100.052 -9.48813 176.801 -85.1617 150.41 15.2316 PRESSAVG: 3407400 -17.4004 32.4542 -34.1388 32.4542 4.94227 48.7478 -34.1388 48.7478 7.50191 GPRESSAVG: 3407400 -18.5094 33.6325 -30.9384 31.5427 4.68104 46.5383 -35.451 49.0124 8.86832 TIMING: 3407400 CPU: 9891.36, 0.00291022/step Wall: 9891.36, 0.00291022/step, 1.28745 hours remaining, 205.968750 MB of memory in use. ENERGY: 3407400 717.1959 2056.0531 1934.8843 108.4963 -205894.3055 17694.4913 0.0000 0.0000 34161.4131 -149221.7716 298.3401 -183383.1847 -149129.9750 299.8469 -61.2576 -22.7065 558780.4155 -1.6521 -1.6533 PRESSURE: 3407600 -231.816 146.213 -46.2877 146.215 -305.028 101.272 -46.2877 101.272 149.182 GPRESSURE: 3407600 -188.774 201.547 -30.059 88.3432 -285.515 116.691 -20.0204 208.902 189.838 PRESSAVG: 3407600 -26.0893 16.5447 -4.26591 16.5448 -58.6666 22.2659 -4.26587 22.2658 16.618 GPRESSAVG: 3407600 -24.1612 14.8677 -5.3207 17.464 -58.2508 22.1809 -3.73625 23.2421 13.9195 TIMING: 3407600 CPU: 9891.95, 0.00293868/step Wall: 9891.95, 0.00293868/step, 1.29988 hours remaining, 205.968750 MB of memory in use. ENERGY: 3407600 744.4504 2115.3333 1972.0287 103.2440 -206330.1227 17718.8616 0.0000 0.0000 34421.2524 -149254.9522 300.6094 -183676.2046 -149157.0728 299.6096 -129.2205 -94.8170 557646.7301 -22.7126 -22.8308 PRESSURE: 3407800 -56.3577 123.919 103.082 123.919 190.747 185.498 103.082 185.497 -186.692 GPRESSURE: 3407800 -0.217255 205.511 54.4248 16.6172 170.987 228.133 110.133 166.937 -126.245 PRESSAVG: 3407800 10.3898 -40.0232 -26.1087 -40.0233 -7.41721 106.414 -26.1088 106.414 8.05303 GPRESSAVG: 3407800 9.98065 -41.3835 -27.7011 -38.3961 -8.09888 107.408 -23.9943 105.298 9.35229 TIMING: 3407800 CPU: 9892.53, 0.00290793/step Wall: 9892.53, 0.00290793/step, 1.28611 hours remaining, 205.968750 MB of memory in use. ENERGY: 3407800 771.3606 2099.4217 1978.1687 121.6516 -206532.9771 17988.9336 0.0000 0.0000 34337.6871 -149235.7539 299.8796 -183573.4410 -149136.2194 298.7980 -17.4344 14.8416 557714.0221 3.6752 3.7447 PRESSURE: 3408000 -2.10784 39.6139 -114.561 39.6129 -261.201 9.33834 -114.56 9.33767 97.7602 GPRESSURE: 3408000 5.28573 -26.537 -119.259 69.2542 -235.203 -29.8809 -137.509 -30.0637 154.783 PRESSAVG: 3408000 91.1777 -16.0448 -6.11769 -16.0448 12.7013 16.5968 -6.11773 16.5968 -30.5705 GPRESSAVG: 3408000 89.9879 -15.2462 -5.76207 -18.7755 12.2047 18.3221 -6.50319 14.2476 -28.9783 TIMING: 3408000 CPU: 9893.11, 0.00290245/step Wall: 9893.11, 0.00290245/step, 1.28353 hours remaining, 205.968750 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: 3408000 766.3131 2097.2560 1945.0245 97.0970 -206526.1424 18055.1999 0.0000 0.0000 34325.4869 -149239.7649 299.7730 -183565.2518 -149139.5717 298.9258 -55.1830 -25.0448 558547.1427 24.4362 24.4048 PRESSURE: 3408200 -110.147 -60.1222 20.1133 -60.1227 18.2727 -1.58957 20.1143 -1.5891 180.616 GPRESSURE: 3408200 -14.6269 -106.865 -15.5717 -45.0168 25.4306 -23.3164 35.6782 49.4377 182.363 PRESSAVG: 3408200 25.153 -35.439 43.2225 -35.439 -32.7555 -9.63988 43.2225 -9.63983 -7.00832 GPRESSAVG: 3408200 26.1067 -32.774 41.9522 -34.551 -32.1349 -12.371 41.9463 -7.64159 -8.83055 TIMING: 3408200 CPU: 9893.69, 0.00289083/step Wall: 9893.69, 0.00289083/step, 1.27823 hours remaining, 205.968750 MB of memory in use. ENERGY: 3408200 766.1777 2056.9931 1968.1006 127.7978 -206059.8444 17928.6244 0.0000 0.0000 34071.3816 -149140.7692 297.5538 -183212.1508 -149051.8598 299.5887 29.5807 64.3889 559002.1300 -4.8703 -4.9529 LDB: ============= START OF LOAD BALANCING ============== 9897.16 LDB: ============== END OF LOAD BALANCING =============== 9897.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9897.16 LDB: ============= START OF LOAD BALANCING ============== 9897.45 LDB: Largest compute 4820 load 0.028342 is 24.1% of average load 0.117771 LDB: Average compute 0.001712 is 1.5% of average load 0.117771 LDB: TIME 9897.46 LOAD: AVG 0.117771 MAX 0.177774 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 9897.46 LOAD: AVG 0.117771 MAX 0.177774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.973 MB LDB: TIME 9897.46 LOAD: AVG 0.117771 MAX 0.177774 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.973 MB LDB: ============== END OF LOAD BALANCING =============== 9897.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9897.46 PRESSURE: 3408400 102.634 -58.7767 29.0444 -58.7772 -22.9821 34.3208 29.0443 34.3215 -255.823 GPRESSURE: 3408400 141.546 -105.675 18.6534 -112.453 0.856241 15.5026 22.7568 -19.5601 -242.987 PRESSAVG: 3408400 60.2438 -75.5512 -12.8519 -75.5512 43.1652 -30.1672 -12.8519 -30.1671 -107.428 GPRESSAVG: 3408400 60.461 -77.0926 -13.0695 -75.3237 43.379 -30.922 -11.4166 -31.0379 -107.284 TIMING: 3408400 CPU: 9894.29, 0.00297534/step Wall: 9894.29, 0.00297534/step, 1.31543 hours remaining, 207.171875 MB of memory in use. ENERGY: 3408400 745.7483 2098.5277 1945.1311 113.0943 -205891.1559 17515.5808 0.0000 0.0000 34354.1969 -149118.8769 300.0237 -183473.0738 -149027.7611 298.7402 -58.7239 -33.5285 557940.6361 -1.3395 -1.1479 PRESSURE: 3408600 82.7527 -18.087 151.123 -18.0868 80.6846 -16.3204 151.121 -16.32 -3.44381 GPRESSURE: 3408600 125.253 43.179 142.587 -50.9829 96.0158 -65.7143 140.47 20.7519 42.4549 PRESSAVG: 3408600 47.0379 -10.292 18.2635 -10.292 -27.333 -13.436 18.2634 -13.4361 -2.20545 GPRESSAVG: 3408600 46.2935 -9.69027 19.5785 -9.85923 -27.199 -10.8141 17.8499 -13.5966 -1.68443 TIMING: 3408600 CPU: 9894.87, 0.00289463/step Wall: 9894.87, 0.00289463/step, 1.27959 hours remaining, 207.171875 MB of memory in use. ENERGY: 3408600 753.8971 2091.8379 1949.7160 124.2887 -206019.6702 17959.1016 0.0000 0.0000 34117.3060 -149023.5230 297.9549 -183140.8290 -148932.6068 298.8324 53.3312 87.9079 558722.0179 5.8332 5.8034 PRESSURE: 3408800 157.655 52.853 219.485 52.8535 -308.097 38.8858 219.484 38.8841 -129.663 GPRESSURE: 3408800 220.42 89.1505 183.846 9.53706 -275.75 68.3854 219.731 7.49628 -131.946 PRESSAVG: 3408800 54.2642 -31.2135 -17.8358 -31.2135 -58.5876 -23.3931 -17.8358 -23.3932 39.5543 GPRESSAVG: 3408800 54.7852 -32.6987 -17.7824 -29.6072 -58.9238 -24.4983 -17.3235 -24.1765 39.929 TIMING: 3408800 CPU: 9895.45, 0.00289483/step Wall: 9895.45, 0.00289483/step, 1.27952 hours remaining, 207.171875 MB of memory in use. ENERGY: 3408800 782.3048 2126.1516 1938.6597 108.9405 -206229.2457 17843.4870 0.0000 0.0000 34388.5406 -149041.1615 300.3237 -183429.7021 -148951.4140 299.9543 -93.3682 -62.4250 558637.8409 11.7437 11.9301 PRESSURE: 3409000 -76.4778 -13.4557 -162.723 -13.4562 -257.045 -30.4116 -162.723 -30.4125 -65.706 GPRESSURE: 3409000 -42.1836 -117.765 -200.732 -18.4235 -269.271 -41.7732 -51.4552 -99.3953 23.4679 PRESSAVG: 3409000 43.6321 -38.3891 20.0646 -38.3893 -5.24421 -22.993 20.0646 -22.993 -40.2999 GPRESSAVG: 3409000 43.7869 -37.6183 20.7879 -40.7257 -5.68991 -25.1725 19.3571 -20.6979 -40.1402 TIMING: 3409000 CPU: 9896.02, 0.00289404/step Wall: 9896.02, 0.00289404/step, 1.27901 hours remaining, 207.171875 MB of memory in use. ENERGY: 3409000 771.3817 2078.8138 1998.6347 118.7950 -206026.3757 17668.1217 0.0000 0.0000 34317.8434 -149072.7854 299.7063 -183390.6288 -148982.0678 299.2547 -133.0762 -95.9956 558634.1195 -0.6374 -0.6811 PRESSURE: 3409200 -106.259 -106.745 8.26365 -106.745 159.01 15.6627 8.26336 15.6632 -49.6277 GPRESSURE: 3409200 -67.1724 -119.246 -21.3519 -38.9935 205.339 31.58 118.743 55.4269 -44.4877 PRESSAVG: 3409200 -15.4387 -19.7337 12.0379 -19.7335 -4.96127 0.269206 12.0378 0.269116 30.7043 GPRESSAVG: 3409200 -15.9861 -20.0668 10.7894 -19.8365 -4.64552 4.61122 13.1645 -3.53783 31.1288 TIMING: 3409200 CPU: 9896.6, 0.00290019/step Wall: 9896.6, 0.00290019/step, 1.28156 hours remaining, 207.171875 MB of memory in use. ENERGY: 3409200 756.4361 2086.7803 1937.4827 106.5057 -205776.5666 17675.1490 0.0000 0.0000 34245.8858 -148968.3271 299.0778 -183214.2129 -148866.1444 300.2110 1.0411 31.2264 557546.7173 3.4348 3.4991 PRESSURE: 3409400 -372.634 -6.90689 -23.224 -6.90815 77.9162 -134.842 -23.2241 -134.842 -68.8477 GPRESSURE: 3409400 -372.952 -3.7802 -61.0644 -13.4251 73.1551 -98.1614 10.3102 -179.471 29.9729 PRESSAVG: 3409400 -20.8482 -28.314 -1.94436 -28.314 31.7634 -15.6498 -1.94426 -15.6499 4.50322 GPRESSAVG: 3409400 -19.4638 -28.6887 -1.7107 -26.2697 31.4387 -18.3647 -2.98932 -13.3506 3.88753 TIMING: 3409400 CPU: 9897.18, 0.0028861/step Wall: 9897.18, 0.0028861/step, 1.27517 hours remaining, 207.171875 MB of memory in use. ENERGY: 3409400 732.1194 2080.2377 1947.6947 107.4822 -205398.6284 17416.5239 0.0000 0.0000 33983.0014 -149131.5691 296.7820 -183114.5705 -149029.8501 298.9440 -121.1886 -89.9414 560005.2301 5.1395 5.2875 PRESSURE: 3409600 -247.25 158.448 156.587 158.448 125.328 -39.0394 156.587 -39.0373 28.5844 GPRESSURE: 3409600 -266.726 178.064 101.133 121.031 171.13 31.2435 178.417 -63.3571 97.4715 PRESSAVG: 3409600 -26.0605 -6.38644 8.03679 -6.38627 64.4262 -3.0852 8.03679 -3.08514 -5.88976 GPRESSAVG: 3409600 -26.7089 -5.85631 8.89819 -8.11588 64.8977 -1.16442 7.07428 -5.99182 -6.29828 TIMING: 3409600 CPU: 9897.76, 0.00286967/step Wall: 9897.76, 0.00286967/step, 1.26776 hours remaining, 207.171875 MB of memory in use. ENERGY: 3409600 740.6376 2103.3790 1972.5859 129.3992 -206420.3770 17895.1307 0.0000 0.0000 34396.2681 -149182.9764 300.3912 -183579.2446 -149083.4357 299.5025 -31.1125 0.6252 557205.2717 10.8253 10.6302 PRESSURE: 3409800 55.1856 70.2723 95.2104 70.2728 50.3234 43.0753 95.21 43.0758 82.4246 GPRESSURE: 3409800 92.9153 1.35598 108.604 147.37 102.291 59.9508 62.3651 40.2587 95.7428 PRESSAVG: 3409800 40.1801 -3.93286 1.22755 -3.93278 -15.9762 -3.4558 1.2276 -3.45579 38.7958 GPRESSAVG: 3409800 40.3489 -3.71123 2.30305 -3.26008 -16.4501 -6.47847 0.298652 -0.0856555 39.7596 TIMING: 3409800 CPU: 9898.33, 0.00288868/step Wall: 9898.33, 0.00288868/step, 1.27599 hours remaining, 207.171875 MB of memory in use. ENERGY: 3409800 748.8498 2098.0824 2000.5074 109.9544 -206385.1186 18039.3265 0.0000 0.0000 34143.7919 -149244.6061 298.1862 -183388.3980 -149145.3469 299.4212 62.6445 96.9830 556986.3068 20.9999 21.2195 PRESSURE: 3410000 154.732 -52.226 74.1058 -52.226 -24.5283 137.993 74.1062 137.994 117.303 GPRESSURE: 3410000 153.976 7.62477 0.47621 -121.857 39.88 98.4577 55.6842 128.628 136.35 PRESSAVG: 3410000 23.3012 -30.1757 15.2878 -30.1757 -51.0422 24.6224 15.2877 24.6224 56.5128 GPRESSAVG: 3410000 23.3748 -31.1962 12.6339 -29.1267 -50.5119 25.5758 16.6745 23.4106 55.7091 TIMING: 3410000 CPU: 9898.91, 0.00289398/step Wall: 9898.91, 0.00289398/step, 1.27818 hours remaining, 207.171875 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: 3410000 752.3307 2078.5021 1960.6120 122.4949 -206194.4861 17933.8464 0.0000 0.0000 34250.6624 -149096.0376 299.1196 -183346.7001 -148994.9668 299.3363 82.5024 110.0687 557624.7836 9.5906 9.5240 PRESSURE: 3410200 -98.656 -58.5019 -203.046 -58.501 115.514 30.0912 -203.046 30.0907 -283.853 GPRESSURE: 3410200 -90.9749 -93.8897 -186.734 -91.2086 128.839 101.993 -251.866 -4.25955 -210.759 PRESSAVG: 3410200 -12.796 3.89419 -37.3168 3.89417 33.5795 -38.9376 -37.3167 -38.9376 -25.0763 GPRESSAVG: 3410200 -13.3332 4.23487 -37.2402 3.73614 33.4425 -39.6596 -38.4841 -37.5457 -24.0695 TIMING: 3410200 CPU: 9899.49, 0.00290015/step Wall: 9899.49, 0.00290015/step, 1.28074 hours remaining, 207.171875 MB of memory in use. ENERGY: 3410200 761.1569 2084.2009 1972.8261 104.5208 -206136.6930 17791.9452 0.0000 0.0000 34187.9610 -149234.0821 298.5720 -183422.0431 -149128.8796 299.3394 -88.9983 -57.6317 558494.0559 -1.4309 -1.3201 PRESSURE: 3410400 -176.711 137.158 51.8811 137.158 -15.6572 26.9552 51.8798 26.9549 -462.465 GPRESSURE: 3410400 -113.554 158.218 64.2228 92.2284 -20.0046 -26.5988 132.179 62.5034 -426.854 PRESSAVG: 3410400 72.7573 35.1504 4.73002 35.1504 -0.260469 -7.02839 4.72999 -7.02854 -71.5751 GPRESSAVG: 3410400 73.8592 35.3469 5.98953 34.5385 -0.187502 -6.47656 5.01662 -8.76753 -72.1417 TIMING: 3410400 CPU: 9900.08, 0.00293828/step Wall: 9900.08, 0.00293828/step, 1.29741 hours remaining, 207.171875 MB of memory in use. ENERGY: 3410400 822.7004 2095.0237 1977.0860 107.4109 -206032.8903 17632.9588 0.0000 0.0000 34163.2914 -149234.4190 298.3565 -183397.7105 -149141.3389 298.6464 -218.2777 -186.8042 559001.6910 0.3072 0.5100 PRESSURE: 3410600 33.894 -114.315 -30.1527 -114.314 -138.579 31.5689 -30.1515 31.5685 -219.439 GPRESSURE: 3410600 81.4857 -89.6997 -8.52238 -113.908 -139.675 -88.964 71.692 82.6913 -156.022 PRESSAVG: 3410600 -21.4755 11.3414 50.3418 11.3413 -3.92591 -5.22645 50.3417 -5.22643 -18.056 GPRESSAVG: 3410600 -21.181 10.9858 51.9206 12.4381 -3.73332 -4.63442 50.4467 -5.47301 -17.8831 TIMING: 3410600 CPU: 9900.67, 0.00292897/step Wall: 9900.67, 0.00292897/step, 1.29314 hours remaining, 207.171875 MB of memory in use. ENERGY: 3410600 739.0015 2116.3232 1940.5118 129.8046 -206115.3732 17741.5785 0.0000 0.0000 34246.8685 -149201.2851 299.0864 -183448.1536 -149110.0220 299.5350 -108.0412 -71.4039 558147.2207 -14.4858 -14.2658 PRESSURE: 3410800 16.1941 41.0411 -72.7482 41.0417 181.588 -228.186 -72.7492 -228.186 154.662 GPRESSURE: 3410800 110.075 109.63 -90.8187 -7.70016 180.749 -266.991 -67.8204 -222.626 134.091 PRESSAVG: 3410800 0.925286 27.7695 8.1457 27.7696 16.2236 -3.07077 8.14559 -3.07073 -20.9124 GPRESSAVG: 3410800 1.64054 29.5718 5.31267 28.2544 15.1289 -3.45529 8.26107 0.498122 -20.351 TIMING: 3410800 CPU: 9901.26, 0.00295379/step Wall: 9901.26, 0.00295379/step, 1.30393 hours remaining, 207.171875 MB of memory in use. ENERGY: 3410800 764.9503 2093.0612 1995.7803 124.0802 -206584.8687 18018.2791 0.0000 0.0000 34276.2672 -149312.4504 299.3432 -183588.7176 -149213.5513 299.5525 117.4815 141.6383 556653.9173 -1.2545 -1.1939 PRESSURE: 3411000 68.4671 -24.9236 32.7984 -24.9243 300.212 -90.1965 32.7983 -90.1969 104.347 GPRESSURE: 3411000 140.163 -15.0143 103.191 -58.834 309.239 -124.057 3.97189 -110.675 115.801 PRESSAVG: 3411000 0.544961 28.1193 -16.2958 28.1193 9.78138 -62.3912 -16.2958 -62.3911 4.43109 GPRESSAVG: 3411000 -1.02551 27.6203 -14.6038 27.1133 11.0544 -61.5861 -15.92 -65.6086 4.36343 TIMING: 3411000 CPU: 9901.84, 0.00290861/step Wall: 9901.84, 0.00290861/step, 1.28383 hours remaining, 207.171875 MB of memory in use. ENERGY: 3411000 706.8298 2173.2330 1964.6431 113.7342 -206204.1850 17817.5103 0.0000 0.0000 34180.8449 -149247.3898 298.5098 -183428.2347 -149148.2627 298.9147 157.6754 188.4013 557050.2427 4.9191 4.7974 PRESSURE: 3411200 -66.4973 -185.664 -83.8121 -185.664 -246.511 -49.5018 -83.8127 -49.5014 -364.691 GPRESSURE: 3411200 -45.7066 -162.473 -138.142 -135.975 -184.299 -50.5408 -95.8221 -81.1518 -347.099 PRESSAVG: 3411200 9.09309 -8.49093 44.7104 -8.49095 83.1543 -41.2162 44.7104 -41.2162 -118.979 GPRESSAVG: 3411200 10.424 -9.6081 44.4568 -8.46899 82.2988 -43.8269 43.1419 -39.2386 -119.609 TIMING: 3411200 CPU: 9902.42, 0.00289791/step Wall: 9902.42, 0.00289791/step, 1.27895 hours remaining, 207.171875 MB of memory in use. ENERGY: 3411200 746.6371 2106.5022 1966.9872 105.3910 -205966.8609 17519.0326 0.0000 0.0000 34162.2126 -149360.0982 298.3471 -183522.3108 -149256.3790 298.7568 -225.8998 -192.3681 558934.0158 -8.9105 -8.9621 PRESSURE: 3411400 13.7997 -113.62 -71.9605 -113.62 53.3624 111.064 -71.9615 111.064 -368.328 GPRESSURE: 3411400 88.395 -28.4447 -7.1694 -174.021 69.7355 261.538 -134.392 76.7114 -373.018 PRESSAVG: 3411400 -15.2135 -1.22567 -14.8588 -1.22564 -22.7044 -15.7804 -14.8588 -15.7805 37.9932 GPRESSAVG: 3411400 -15.755 0.948108 -13.7041 -1.19249 -22.1811 -11.6238 -13.7838 -16.1461 38.7309 TIMING: 3411400 CPU: 9903, 0.00291758/step Wall: 9903, 0.00291758/step, 1.28746 hours remaining, 207.171875 MB of memory in use. ENERGY: 3411400 744.3588 2121.8737 1978.2100 109.3882 -205822.4579 17468.3188 0.0000 0.0000 34072.5475 -149327.7609 297.5640 -183400.3084 -149232.6608 298.4671 -100.3885 -71.6293 557450.5719 0.0251 0.2649 PRESSURE: 3411600 -21.2522 6.81854 -82.0633 6.81837 156.577 -237.138 -82.0639 -237.138 -32.2647 GPRESSURE: 3411600 -0.162281 11.3849 -35.6731 5.09946 181.345 -223.605 -59.2039 -201.985 2.21314 PRESSAVG: 3411600 39.7443 -32.2142 12.869 -32.2142 10.4303 -48.9243 12.8689 -48.9242 -30.2253 GPRESSAVG: 3411600 40.3916 -33.8185 12.991 -31.3014 9.98009 -51.1099 12.5248 -47.5745 -30.8701 TIMING: 3411600 CPU: 9903.59, 0.00292592/step Wall: 9903.59, 0.00292592/step, 1.29098 hours remaining, 207.171875 MB of memory in use. ENERGY: 3411600 725.7092 2117.6472 1950.2022 105.3914 -206164.7342 17859.8866 0.0000 0.0000 34218.3702 -149187.5275 298.8375 -183405.8976 -149094.9538 298.7549 34.3535 61.1320 555785.7313 6.6498 6.5005 PRESSURE: 3411800 92.4916 48.526 80.9924 48.5245 302.295 -38.3293 80.9927 -38.3292 134.375 GPRESSURE: 3411800 131.384 68.1941 147.217 -25.2631 291.114 -116.487 12.7276 -18.0676 201.019 PRESSAVG: 3411800 -16.4239 13.7691 -1.11913 13.7692 22.9208 -73.2182 -1.1191 -73.2182 7.94398 GPRESSAVG: 3411800 -16.9086 13.5401 -1.99702 13.223 24.0811 -71.9127 -1.45554 -76.2816 7.17707 TIMING: 3411800 CPU: 9904.17, 0.00293787/step Wall: 9904.17, 0.00293787/step, 1.29609 hours remaining, 207.171875 MB of memory in use. ENERGY: 3411800 694.3996 2113.6615 1970.2552 114.1313 -206463.6954 18064.3282 0.0000 0.0000 34239.5553 -149267.3643 299.0226 -183506.9197 -149171.9398 298.9795 176.3872 207.8388 555654.8213 4.8136 4.7832 PRESSURE: 3412000 113.067 58.7901 -50.0054 58.7901 60.1379 198.893 -50.0046 198.894 3.8802 GPRESSURE: 3412000 127.723 63.356 -134.731 86.9537 152.854 215.29 26.3881 207.051 -6.04234 PRESSAVG: 3412000 61.2189 45.1383 17.9975 45.1383 -8.48075 13.5496 17.9975 13.5496 -39.202 GPRESSAVG: 3412000 61.1613 44.5108 17.7162 46.1339 -8.74592 12.6156 18.7192 14.6229 -38.7297 TIMING: 3412000 CPU: 9904.76, 0.00292428/step Wall: 9904.76, 0.00292428/step, 1.28993 hours remaining, 207.171875 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: 3412000 730.9091 2128.9499 1966.0763 114.6132 -206684.6885 18317.1234 0.0000 0.0000 34212.5813 -149214.4352 298.7870 -183427.0165 -149120.2518 299.6716 59.0282 91.5116 559609.2354 4.5120 4.5619 PRESSURE: 3412200 4.3871 123.061 -53.3165 123.061 338.66 99.3383 -53.3171 99.3376 189.337 GPRESSURE: 3412200 50.1538 96.7583 -53.4475 127.889 423.383 32.6796 -59.2144 193.547 138.426 PRESSAVG: 3412200 8.97889 15.1866 -51.8562 15.1867 49.9977 -4.54523 -51.8562 -4.54524 -78.8982 GPRESSAVG: 3412200 9.93826 17.2555 -50.0551 15.3369 49.1516 -4.51933 -53.2876 -2.62311 -78.9183 TIMING: 3412200 CPU: 9905.34, 0.00293003/step Wall: 9905.34, 0.00293003/step, 1.29231 hours remaining, 207.171875 MB of memory in use. ENERGY: 3412200 749.3039 2086.9429 1982.6066 111.3200 -206436.6418 18194.8784 0.0000 0.0000 34171.5992 -149139.9908 298.4291 -183311.5901 -149042.5586 299.2041 177.4616 203.9875 557644.1519 -6.6405 -6.6095 LDB: ============= START OF LOAD BALANCING ============== 9908.81 LDB: ============== END OF LOAD BALANCING =============== 9908.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9908.82 LDB: ============= START OF LOAD BALANCING ============== 9909.11 LDB: Largest compute 4820 load 0.028763 is 24.4% of average load 0.117884 LDB: Average compute 0.001710 is 1.5% of average load 0.117884 LDB: TIME 9909.11 LOAD: AVG 0.117884 MAX 0.179341 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 9909.11 LOAD: AVG 0.117884 MAX 0.179341 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: TIME 9909.11 LOAD: AVG 0.117884 MAX 0.179341 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: ============== END OF LOAD BALANCING =============== 9909.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9909.11 PRESSURE: 3412400 10.1538 25.9021 3.9868 25.9025 13.8382 69.2918 3.98567 69.2901 -133.653 GPRESSURE: 3412400 -43.465 41.1334 -53.6747 13.2057 83.0304 46.1711 119.229 62.7026 -57.1808 PRESSAVG: 3412400 23.1504 54.6723 23.1719 54.6724 -8.23256 21.1078 23.1719 21.1077 -23.6278 GPRESSAVG: 3412400 22.3448 54.3285 22.4204 51.9672 -6.91731 21.0253 24.1304 19.4692 -23.6771 TIMING: 3412400 CPU: 9905.94, 0.00297166/step Wall: 9905.94, 0.00297166/step, 1.3105 hours remaining, 205.710938 MB of memory in use. ENERGY: 3412400 793.3154 2070.3325 1991.0874 101.7643 -205987.0316 17775.6440 0.0000 0.0000 34222.4272 -149032.4609 298.8730 -183254.8881 -148934.7263 299.0974 -36.5536 -5.8718 558722.1721 -2.9033 -2.7499 PRESSURE: 3412600 -172.575 96.0323 104.686 96.0325 -196.611 63.0708 104.685 63.0714 -161.094 GPRESSURE: 3412600 -135.406 74.0604 91.6563 72.0009 -165.006 -10.5395 102.743 60.7764 -128.011 PRESSAVG: 3412600 6.21262 59.9075 5.07627 59.9075 21.6268 -3.40211 5.07628 -3.40221 -20.2989 GPRESSAVG: 3412600 8.32206 59.582 5.99379 60.9349 20.7168 -5.28084 3.3686 -2.8309 -21.7894 TIMING: 3412600 CPU: 9906.52, 0.00289713/step Wall: 9906.52, 0.00289713/step, 1.27748 hours remaining, 205.781250 MB of memory in use. ENERGY: 3412600 726.9908 2104.0404 1985.6097 111.2713 -205464.9302 17500.9173 0.0000 0.0000 34045.0646 -148991.0361 297.3240 -183036.1007 -148883.1233 299.4169 -176.7599 -142.8077 560371.1428 2.5135 2.4165 PRESSURE: 3412800 -29.9593 181.196 11.7342 181.195 58.266 89.2079 11.7331 89.2078 84.6815 GPRESSURE: 3412800 -10.7973 246.44 150.134 132.286 78.1868 137.676 -28.5086 120.613 143.699 PRESSAVG: 3412800 -42.5409 14.8934 -24.6602 14.8934 -45.5691 8.63736 -24.6602 8.63733 36.4865 GPRESSAVG: 3412800 -43.041 14.284 -24.7617 16.7181 -46.1005 9.84796 -23.7878 10.3327 37.4495 TIMING: 3412800 CPU: 9907.1, 0.00291136/step Wall: 9907.1, 0.00291136/step, 1.28359 hours remaining, 205.781250 MB of memory in use. ENERGY: 3412800 757.4078 2119.0263 1978.7681 113.8594 -206268.9512 18095.5947 0.0000 0.0000 34315.2651 -148889.0298 299.6837 -183204.2949 -148795.9904 299.2952 37.6627 70.3628 558467.1266 -17.2078 -17.2307 PRESSURE: 3413000 111.255 65.891 132.557 65.8909 -254.533 -24.5719 132.556 -24.5701 364.23 GPRESSURE: 3413000 124.72 101.433 129.321 69.8367 -138.305 16.1167 163.972 -8.58611 333.954 PRESSAVG: 3413000 -42.4075 45.79 7.72972 45.7899 -35.1175 12.6423 7.72977 12.6423 85.3416 GPRESSAVG: 3413000 -42.4967 45.2541 6.41284 43.5019 -35.1941 12.1875 8.38089 10.5376 85.1951 TIMING: 3413000 CPU: 9907.68, 0.002916/step Wall: 9907.68, 0.002916/step, 1.28547 hours remaining, 205.781250 MB of memory in use. ENERGY: 3413000 789.9449 2045.2593 1963.2452 112.5015 -205886.1309 17903.6320 0.0000 0.0000 34320.4902 -148751.0579 299.7294 -183071.5481 -148653.7201 299.9652 73.6507 106.7895 556986.3140 2.6055 2.5014 PRESSURE: 3413200 -130.901 207.804 88.9875 207.804 -65.4446 56.5771 88.9878 56.5783 -176.538 GPRESSURE: 3413200 -136.759 333.865 -52.6329 100.157 -40.355 2.04306 173.737 93.2064 -93.8671 PRESSAVG: 3413200 -65.4376 56.3496 23.3588 56.3496 12.0094 4.08617 23.3588 4.08628 76.3724 GPRESSAVG: 3413200 -66.3629 57.9677 24.3997 54.5164 11.4612 3.07559 21.3582 5.86184 77.5276 TIMING: 3413200 CPU: 9908.27, 0.00293356/step Wall: 9908.27, 0.00293356/step, 1.29305 hours remaining, 205.781250 MB of memory in use. ENERGY: 3413200 788.9966 2095.5079 1961.9331 100.7872 -205775.7224 17643.6538 0.0000 0.0000 34437.3420 -148747.5019 300.7499 -183184.8439 -148644.5163 300.0206 -124.2944 -90.3271 557642.4203 7.6480 7.5420 PRESSURE: 3413400 -90.8387 -59.9061 -5.24008 -59.9068 54.6958 -69.5017 -5.23973 -69.5008 129.409 GPRESSURE: 3413400 -105.289 -14.1876 63.4146 -183.755 138.88 -149.578 -94.7951 -50.3004 168.241 PRESSAVG: 3413400 -8.90113 74.1574 -24.1108 74.1574 26.8139 -4.42038 -24.1108 -4.4204 -33.2323 GPRESSAVG: 3413400 -8.54746 72.9001 -21.4436 76.4214 26.8044 -4.40422 -24.0052 -5.34096 -33.3263 TIMING: 3413400 CPU: 9908.85, 0.00290448/step Wall: 9908.85, 0.00290448/step, 1.28007 hours remaining, 205.781250 MB of memory in use. ENERGY: 3413400 701.9118 2112.0555 1964.8998 126.5152 -205631.3370 17617.2289 0.0000 0.0000 34198.1711 -148910.5548 298.6611 -183108.7258 -148814.8730 300.3737 31.0887 67.2776 557608.0714 -5.1065 -5.0231 PRESSURE: 3413600 -38.059 207.258 66.1848 207.258 -67.7349 -29.1663 66.1851 -29.1671 -26.1163 GPRESSURE: 3413600 -12.4771 250.141 25.6514 235.396 -23.9119 -83.5456 64.7967 -19.0634 -3.21953 PRESSAVG: 3413600 35.9276 1.88687 17.8979 1.88687 -43.9898 -24.0153 17.898 -24.0153 -1.07172 GPRESSAVG: 3413600 34.885 1.07906 15.9964 3.03899 -42.803 -22.48 17.9749 -24.719 -0.693559 TIMING: 3413600 CPU: 9909.44, 0.00293333/step Wall: 9909.44, 0.00293333/step, 1.29262 hours remaining, 205.781250 MB of memory in use. ENERGY: 3413600 754.3592 2105.0943 2001.6431 122.1708 -205939.9998 17648.6045 0.0000 0.0000 34326.5728 -148981.5552 299.7825 -183308.1280 -148888.9813 299.9112 -43.9700 -13.2028 557825.0665 -3.0447 -2.8705 PRESSURE: 3413800 -65.042 -74.2259 -7.55364 -74.224 127.678 -60.5886 -7.55565 -60.5882 -35.1049 GPRESSURE: 3413800 -15.2569 -45.7793 33.8519 -70.938 172.403 26.3752 -8.50927 -70.5681 -36.7647 PRESSAVG: 3413800 -80.1169 30.4746 2.99985 30.4746 26.6895 -31.2587 2.99983 -31.2588 52.7526 GPRESSAVG: 3413800 -78.9877 32.0644 2.71342 30.3667 26.4637 -30.9844 3.23996 -31.6305 51.7997 TIMING: 3413800 CPU: 9910.02, 0.00290091/step Wall: 9910.02, 0.00290091/step, 1.27818 hours remaining, 205.781250 MB of memory in use. ENERGY: 3413800 750.5575 2110.4391 1947.9671 112.3067 -206282.7227 17868.9618 0.0000 0.0000 34395.0001 -149097.4903 300.3801 -183492.4904 -149001.8443 299.8017 9.1771 40.1271 558272.1360 -0.2249 -0.2414 PRESSURE: 3414000 259.553 -133.654 -193.21 -133.653 32.6215 81.2983 -193.211 81.2984 -14.338 GPRESSURE: 3414000 283.78 -86.3567 -230.389 -116.536 37.7002 97.0263 -182.704 61.5791 53.6968 PRESSAVG: 3414000 7.42733 -38.3612 9.25093 -38.3612 -1.46137 -28.2033 9.25092 -28.2035 14.9721 GPRESSAVG: 3414000 6.66481 -39.3116 7.72189 -40.1145 -0.672931 -28.9147 11.1763 -27.2106 14.6473 TIMING: 3414000 CPU: 9910.6, 0.00289073/step Wall: 9910.6, 0.00289073/step, 1.27353 hours remaining, 205.781250 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: 3414000 729.9347 2055.3769 1977.1829 136.7247 -206168.4065 17944.5946 0.0000 0.0000 34274.6030 -149049.9898 299.3286 -183324.5928 -148959.0784 299.9550 92.6122 125.0590 558637.2588 6.9794 6.8797 PRESSURE: 3414200 -177.336 67.4952 -20.2361 67.496 -346.24 -17.266 -20.2357 -17.2661 115.515 GPRESSURE: 3414200 -143.611 95.6296 -65.9873 95.8264 -306.244 -44.2334 2.21002 34.2174 139.334 PRESSAVG: 3414200 119.305 34.2867 26.5116 34.2867 -102.094 -11.8432 26.5115 -11.8433 -43.3732 GPRESSAVG: 3414200 120.575 37.7814 30.1275 32.3723 -102.987 -12.4431 26.3095 -11.0729 -44.1186 TIMING: 3414200 CPU: 9911.17, 0.00287955/step Wall: 9911.17, 0.00287955/step, 1.26844 hours remaining, 205.839844 MB of memory in use. ENERGY: 3414200 796.0263 2088.6437 1935.2383 111.9415 -205897.7205 17729.6043 0.0000 0.0000 34216.1655 -149020.1009 298.8183 -183236.2664 -148921.3859 299.5505 -136.0202 -103.5069 560812.3091 -8.7208 -8.8437 PRESSURE: 3414400 -314.06 22.7808 -34.4473 22.7804 -311.018 -50.9771 -34.4486 -50.9778 -227.308 GPRESSURE: 3414400 -271.502 50.8306 37.1531 51.0058 -289.19 -85.6096 -62.5381 -89.7415 -195.103 PRESSAVG: 3414400 11.8181 -31.3064 -11.0941 -31.3065 -86.8498 -67.6066 -11.0942 -67.6067 55.4818 GPRESSAVG: 3414400 10.1158 -32.7692 -12.8362 -27.3656 -86.3338 -69.0109 -12.5488 -66.893 56.784 TIMING: 3414400 CPU: 9911.75, 0.00286803/step Wall: 9911.75, 0.00286803/step, 1.26321 hours remaining, 205.839844 MB of memory in use. ENERGY: 3414400 757.7550 2116.2970 1946.1584 110.8805 -205378.7931 17431.3890 0.0000 0.0000 34329.2995 -148687.0137 299.8063 -183016.3133 -148590.8577 300.4407 -284.1288 -251.9316 560851.4043 -6.5166 -6.4780 PRESSURE: 3414600 -225.201 -10.4995 243.682 -10.5016 -294.715 -94.2154 243.684 -94.2142 -210.621 GPRESSURE: 3414600 -201.308 -19.3482 180.89 -16.9495 -235.413 1.22733 190.586 -136.222 -193.369 PRESSAVG: 3414600 22.7027 -7.65378 10.2264 -7.65376 35.9419 -35.7794 10.2264 -35.7795 -15.8264 GPRESSAVG: 3414600 24.5291 -7.84511 9.1952 -9.84318 35.7516 -33.6396 10.3858 -36.5186 -16.868 TIMING: 3414600 CPU: 9912.32, 0.00288618/step Wall: 9912.32, 0.00288618/step, 1.27104 hours remaining, 205.839844 MB of memory in use. ENERGY: 3414600 811.5717 2009.8286 1934.5376 113.4502 -205506.0220 17563.9498 0.0000 0.0000 34478.5948 -148594.0894 301.1101 -183072.6841 -148499.1149 300.8475 -243.5123 -210.0300 561915.4656 14.2727 14.4709 PRESSURE: 3414800 -167.622 73.2702 13.1602 73.27 -10.0027 -74.562 13.16 -74.5627 74.0326 GPRESSURE: 3414800 -107.281 69.4651 38.4446 57.4745 -15.6582 -67.5709 22.8894 -54.5243 110.995 PRESSAVG: 3414800 24.4898 -3.12003 -70.5636 -3.11995 20.1734 -40.6622 -70.5635 -40.6622 -38.1645 GPRESSAVG: 3414800 24.1516 -4.82083 -69.4427 -2.16471 20.0773 -42.998 -71.142 -41.4483 -37.8331 TIMING: 3414800 CPU: 9912.9, 0.00290363/step Wall: 9912.9, 0.00290363/step, 1.27857 hours remaining, 205.839844 MB of memory in use. ENERGY: 3414800 742.2527 2039.6495 1964.0987 118.6681 -205566.9051 17661.5589 0.0000 0.0000 34387.7815 -148652.8957 300.3170 -183040.6772 -148558.3469 300.4758 -34.5307 -3.9814 560087.2818 2.1662 2.1320 PRESSURE: 3415000 138.917 60.7066 -32.0092 60.7057 21.7929 105.44 -32.0085 105.44 46.1013 GPRESSURE: 3415000 120.293 64.567 -34.7401 94.649 62.3388 27.0716 -32.3784 -5.44462 128.287 PRESSAVG: 3415000 35.4189 -15.344 -8.3529 -15.344 -48.4261 -14.3289 -8.35294 -14.3289 7.08323 GPRESSAVG: 3415000 36.0165 -12.4598 -10.6655 -16.8582 -47.7483 -12.962 -6.91954 -13.0316 5.72445 TIMING: 3415000 CPU: 9913.49, 0.00292116/step Wall: 9913.49, 0.00292116/step, 1.28612 hours remaining, 205.839844 MB of memory in use. ENERGY: 3415000 734.2328 2050.4435 1988.6044 102.3018 -206237.7576 18121.7019 0.0000 0.0000 34368.3225 -148872.1507 300.1471 -183240.4731 -148774.9330 300.1287 68.9371 103.6397 560326.3269 -1.9747 -2.0024 PRESSURE: 3415200 -181.279 -137.545 105.603 -137.545 -126.837 -7.44569 105.603 -7.44516 16.7483 GPRESSURE: 3415200 -121.3 -165.056 137.637 -76.1964 -148.021 72.2093 84.8937 -43.2603 83.3719 PRESSAVG: 3415200 -6.5396 11.84 -37.5063 11.84 2.5217 -29.7333 -37.5063 -29.7334 -0.674744 GPRESSAVG: 3415200 -6.87332 8.67711 -36.3219 12.278 1.95134 -29.2816 -38.4464 -31.0859 0.330372 TIMING: 3415200 CPU: 9914.07, 0.00288714/step Wall: 9914.07, 0.00288714/step, 1.27098 hours remaining, 205.839844 MB of memory in use. ENERGY: 3415200 754.4335 2078.7870 1947.8595 123.4985 -205949.1705 17847.8698 0.0000 0.0000 34297.9307 -148898.7916 299.5324 -183196.7222 -148800.1089 299.8655 -97.1227 -61.9830 562043.6335 -1.5642 -1.5305 PRESSURE: 3415400 52.9793 22.003 -18.5896 22.0027 61.0635 20.0724 -18.5886 20.0724 -91.0155 GPRESSURE: 3415400 58.6442 33.9682 -35.4616 -41.5349 109.026 18.0706 -15.9566 -4.07697 -36.5094 PRESSAVG: 3415400 52.8924 -36.2128 76.8265 -36.2128 -23.0252 -32.5288 76.8266 -32.5286 10.7573 GPRESSAVG: 3415400 52.8322 -34.1995 75.4967 -35.936 -22.532 -32.124 79.1704 -30.6601 10.3759 TIMING: 3415400 CPU: 9914.65, 0.00290411/step Wall: 9914.65, 0.00290411/step, 1.27829 hours remaining, 205.839844 MB of memory in use. ENERGY: 3415400 749.2010 2092.5618 1984.5386 116.6673 -206080.7398 17959.1165 0.0000 0.0000 34436.7758 -148741.8788 300.7449 -183178.6546 -148643.8163 299.6134 7.6757 43.7202 560075.3286 13.5415 13.5587 PRESSURE: 3415600 238.111 -124.823 -18.8927 -124.823 209.452 78.3786 -18.8909 78.3791 11.8059 GPRESSURE: 3415600 291.295 -55.2149 10.8925 -189.892 211.412 111.585 -23.8094 48.1045 58.2719 PRESSAVG: 3415600 -25.0677 -0.0882759 -2.41803 -0.0882645 -28.0042 -21.9206 -2.41811 -21.9205 4.41063 GPRESSAVG: 3415600 -26.3174 -1.57399 -1.09295 0.695071 -28.0926 -21.9997 -3.69208 -23.2388 6.13147 TIMING: 3415600 CPU: 9915.22, 0.00289086/step Wall: 9915.22, 0.00289086/step, 1.2723 hours remaining, 205.839844 MB of memory in use. ENERGY: 3415600 727.9414 2043.0119 1945.1781 110.2826 -206460.0847 18175.1173 0.0000 0.0000 34619.9369 -148838.6166 302.3445 -183458.5535 -148735.4112 300.4807 153.1231 186.9929 559417.3827 -16.2204 -16.0929 PRESSURE: 3415800 134.217 -6.1079 -56.442 -6.10683 -287.194 -7.39096 -56.4411 -7.39059 -76.7966 GPRESSURE: 3415800 174.846 10.0368 4.54991 0.569416 -254.3 69.4998 -61.7133 -60.8731 -52.9756 PRESSAVG: 3415800 14.6985 3.70471 3.63166 3.70467 -41.9795 -56.3893 3.63166 -56.3893 5.86501 GPRESSAVG: 3415800 14.4177 1.79441 4.41955 4.22409 -42.2606 -54.5947 2.7676 -56.103 5.97619 TIMING: 3415800 CPU: 9915.8, 0.00288675/step Wall: 9915.8, 0.00288675/step, 1.27033 hours remaining, 205.839844 MB of memory in use. ENERGY: 3415800 699.0470 2018.3346 1962.5398 121.4223 -205783.3080 17879.8517 0.0000 0.0000 34183.6445 -148918.4680 298.5343 -183102.1125 -148821.2934 299.9600 -76.5911 -44.1432 560512.0282 -7.1387 -7.2889 PRESSURE: 3416000 178.291 122.075 -5.71081 122.075 114.036 46.811 -5.7116 46.8116 147.6 GPRESSURE: 3416000 201.946 133.631 -112.873 127.109 88.7778 -41.7434 59.1239 117.475 254.687 PRESSAVG: 3416000 60.272 8.7899 -30.7888 8.78985 -29.7993 -22.9803 -30.7888 -22.9804 -13.178 GPRESSAVG: 3416000 60.1018 10.8221 -31.0607 6.76039 -28.7514 -26.5319 -31.7359 -22.5217 -14.071 TIMING: 3416000 CPU: 9916.38, 0.00290076/step Wall: 9916.38, 0.00290076/step, 1.27633 hours remaining, 205.839844 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: 3416000 724.9866 2061.1479 1944.0706 103.4506 -206019.0524 17802.2851 0.0000 0.0000 34601.9055 -148781.2061 302.1870 -183383.1116 -148691.6524 299.8655 146.6423 181.8035 557364.0548 5.7649 5.7598 PRESSURE: 3416200 -23.4279 -36.699 -64.7929 -36.7005 -34.1788 -0.0360109 -64.7937 -0.0359602 63.5848 GPRESSURE: 3416200 5.61493 -49.2209 5.33236 -59.4662 10.0323 -12.6326 -34.6067 26.4554 100.975 PRESSAVG: 3416200 25.7136 -8.57317 -34.4015 -8.57306 -35.9694 -27.8989 -34.4014 -27.8988 54.7858 GPRESSAVG: 3416200 26.0696 -9.49219 -35.4112 -6.42032 -37.3112 -23.5191 -34.584 -28.6925 55.5669 TIMING: 3416200 CPU: 9916.96, 0.0029076/step Wall: 9916.96, 0.0029076/step, 1.27918 hours remaining, 205.839844 MB of memory in use. ENERGY: 3416200 756.2259 2059.3216 1950.2480 116.1067 -205967.5307 17772.7692 0.0000 0.0000 34423.9700 -148888.8892 300.6331 -183312.8592 -148790.8224 300.1227 1.9927 38.8741 557817.0734 14.8433 14.7751 LDB: ============= START OF LOAD BALANCING ============== 9920.43 LDB: ============== END OF LOAD BALANCING =============== 9920.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9920.43 LDB: ============= START OF LOAD BALANCING ============== 9920.72 LDB: Largest compute 4820 load 0.029874 is 25.4% of average load 0.117817 LDB: Average compute 0.001722 is 1.5% of average load 0.117817 LDB: TIME 9920.73 LOAD: AVG 0.117817 MAX 0.179846 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 9920.73 LOAD: AVG 0.117817 MAX 0.179846 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 9920.73 LOAD: AVG 0.117817 MAX 0.179846 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9920.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9920.73 PRESSURE: 3416400 92.2137 -40.2724 -204.664 -40.2713 39.6039 32.3043 -204.663 32.3043 130.02 GPRESSURE: 3416400 144.474 19.928 -126.381 0.953688 113.059 -14.5747 -249.224 98.3603 106.94 PRESSAVG: 3416400 24.1749 1.90848 20.9129 1.90846 -7.31278 42.2785 20.913 42.2785 -18.1715 GPRESSAVG: 3416400 24.6942 0.580144 21.7245 1.77915 -6.39641 42.5591 21.4812 40.314 -20.0039 TIMING: 3416400 CPU: 9917.56, 0.00296394/step Wall: 9917.56, 0.00296394/step, 1.30381 hours remaining, 205.523438 MB of memory in use. ENERGY: 3416400 764.5949 2049.8369 1943.0671 118.8511 -205647.1918 17649.4560 0.0000 0.0000 34264.9355 -148856.4502 299.2442 -183121.3857 -148759.3822 299.7727 87.2793 121.4911 557208.2063 -0.4365 -0.5687 PRESSURE: 3416600 48.7767 26.085 -53.3639 26.0835 -124.37 -11.4597 -53.3648 -11.4607 17.0759 GPRESSURE: 3416600 86.6902 -7.37537 -94.4182 12.316 -140.901 -13.0854 -0.0143365 20.6038 97.1413 PRESSAVG: 3416600 28.3685 18.31 -29.7236 18.3099 -15.9732 -25.1695 -29.7237 -25.1695 -12.3776 GPRESSAVG: 3416600 27.7848 21.8949 -28.9361 18.1709 -16.9769 -27.0127 -31.2257 -22.5343 -10.8571 TIMING: 3416600 CPU: 9918.14, 0.00294087/step Wall: 9918.14, 0.00294087/step, 1.29349 hours remaining, 205.726562 MB of memory in use. ENERGY: 3416600 752.3401 2091.4253 1982.0361 117.8035 -206395.6439 18081.0502 0.0000 0.0000 34176.4848 -149194.5039 298.4717 -183370.9887 -149102.5204 299.4657 -19.5060 14.3100 558912.1202 0.0059 -0.0164 PRESSURE: 3416800 79.2238 -16.2774 218.1 -16.2767 88.0179 118.426 218.098 118.424 2.95548 GPRESSURE: 3416800 170.077 -75.1602 203.095 -32.72 65.9684 116.528 332.391 142.745 12.9148 PRESSAVG: 3416800 -3.91747 -23.5813 27.4683 -23.5812 26.3728 10.4613 27.4683 10.4611 -7.84326 GPRESSAVG: 3416800 -3.25037 -21.9502 26.9671 -23.5991 26.9877 9.77133 29.2929 11.9421 -9.09304 TIMING: 3416800 CPU: 9918.74, 0.00296433/step Wall: 9918.74, 0.00296433/step, 1.30365 hours remaining, 205.726562 MB of memory in use. ENERGY: 3416800 739.5056 2156.7929 1949.7702 102.1389 -206660.1414 18199.8569 0.0000 0.0000 34259.2403 -149252.8365 299.1945 -183512.0768 -149161.6980 299.0881 56.7324 82.9866 559513.3740 4.8707 4.8814 PRESSURE: 3417000 -66.175 -122.888 -88.5526 -122.887 -104.205 36.8482 -88.5523 36.8469 116.98 GPRESSURE: 3417000 -27.3022 -54.1547 -135.139 -170.991 -40.441 82.766 -50.4474 26.7979 115.866 PRESSAVG: 3417000 48.2181 1.87283 75.9174 1.8729 -9.26963 -8.58403 75.9174 -8.58387 -60.3909 GPRESSAVG: 3417000 48.4748 -0.489198 74.595 2.13835 -10.7064 -9.28477 75.7151 -11.7467 -60.1396 TIMING: 3417000 CPU: 9919.33, 0.00294208/step Wall: 9919.33, 0.00294208/step, 1.2937 hours remaining, 205.726562 MB of memory in use. ENERGY: 3417000 757.5397 2077.8491 1962.3368 109.5063 -206136.0599 17777.4614 0.0000 0.0000 34193.5145 -149257.8521 298.6205 -183451.3665 -149162.9460 299.3840 -17.7998 16.0409 558582.9930 -7.1475 -7.4571 PRESSURE: 3417200 -27.7589 -100.271 -84.7298 -100.27 248.294 64.5032 -84.7294 64.5043 114.994 GPRESSURE: 3417200 60.8412 -116.113 -77.2442 -176.549 263.519 181.668 -45.1287 -2.25699 117.429 PRESSAVG: 3417200 19.3774 -60.8284 25.4816 -60.8285 11.3429 -6.37151 25.4817 -6.3715 -14.724 GPRESSAVG: 3417200 18.0565 -59.6459 26.6656 -60.1128 12.7772 -5.10115 26.0379 -4.90817 -14.5349 TIMING: 3417200 CPU: 9919.91, 0.00293032/step Wall: 9919.91, 0.00293032/step, 1.28837 hours remaining, 205.726562 MB of memory in use. ENERGY: 3417200 726.1295 2093.8507 1967.6852 114.8199 -206187.7998 18031.8134 0.0000 0.0000 34167.6027 -149085.8984 298.3942 -183253.5011 -148989.3974 299.4230 111.8428 147.2628 558680.5656 5.3321 5.4329 PRESSURE: 3417400 13.8947 112.749 -2.58483 112.748 -107.518 -106.686 -2.58377 -106.687 231.82 GPRESSURE: 3417400 -8.35671 111.204 25.9508 98.9614 5.80419 -119.179 45.1922 -28.477 241.717 PRESSAVG: 3417400 20.6565 -24.8195 -14.4369 -24.8196 1.17705 6.33405 -14.4368 6.33406 -28.8389 GPRESSAVG: 3417400 21.304 -25.5107 -15.0397 -26.4241 0.138508 5.49045 -16.0923 4.75877 -28.4793 TIMING: 3417400 CPU: 9920.49, 0.00291237/step Wall: 9920.49, 0.00291237/step, 1.28031 hours remaining, 205.726562 MB of memory in use. ENERGY: 3417400 712.8669 2100.1930 1973.2899 118.6564 -206204.3902 17943.8541 0.0000 0.0000 34162.0051 -149193.5248 298.3453 -183355.5299 -149097.2588 299.3250 46.0655 79.7214 559005.3482 -2.3351 -2.3456 PRESSURE: 3417600 -72.5924 -49.808 -35.9501 -49.8078 92.7314 -91.1761 -35.9514 -91.1765 -114.554 GPRESSURE: 3417600 3.44791 -74.7406 -19.6882 2.80083 50.3157 5.19812 -76.7808 -166.934 -49.0938 PRESSAVG: 3417600 -21.8225 7.63666 -23.2732 7.63657 -15.3095 -24.8634 -23.2732 -24.8634 22.5793 GPRESSAVG: 3417600 -22.072 5.85657 -24.1288 9.57979 -14.704 -24.4836 -21.7378 -23.6249 21.9446 TIMING: 3417600 CPU: 9921.08, 0.00290187/step Wall: 9921.08, 0.00290187/step, 1.27553 hours remaining, 205.726562 MB of memory in use. ENERGY: 3417600 740.0088 2121.9885 1965.5748 114.5066 -206147.7861 17801.2759 0.0000 0.0000 34151.3182 -149253.1133 298.2520 -183404.4315 -149154.3573 298.4860 -31.4717 1.5566 557889.9681 -4.8509 -4.9438 PRESSURE: 3417800 91.4345 114.927 -92.0803 114.927 -90.1073 -174.22 -92.0802 -174.221 182.462 GPRESSURE: 3417800 90.8553 99.7412 -149.234 109.816 -24.0674 -132.051 -25.1797 -133.995 208.278 PRESSAVG: 3417800 37.2722 -54.1971 9.28759 -54.197 -60.8264 -11.3874 9.28756 -11.3875 12.3509 GPRESSAVG: 3417800 37.141 -52.8809 10.6535 -57.4217 -60.1884 -10.543 11.4244 -12.829 11.6336 TIMING: 3417800 CPU: 9921.66, 0.00291666/step Wall: 9921.66, 0.00291666/step, 1.28187 hours remaining, 205.726562 MB of memory in use. ENERGY: 3417800 758.8245 2091.6583 1984.5839 110.3376 -206301.1716 17867.1243 0.0000 0.0000 34136.3660 -149352.2770 298.1214 -183488.6430 -149260.7021 298.5631 61.2630 91.6886 558924.5822 -3.7344 -3.8046 PRESSURE: 3418000 -64.6417 52.2621 110.183 52.2623 -131.741 -44.8946 110.184 -44.8949 91.8083 GPRESSURE: 3418000 -2.71456 61.8021 113.796 -40.6282 -108.078 75.8125 155.021 -123.416 97.8366 PRESSAVG: 3418000 -26.8396 -6.58376 5.13014 -6.5838 -1.73338 -5.91629 5.13006 -5.91628 37.0517 GPRESSAVG: 3418000 -26.3485 -4.34609 6.65302 -5.95601 -1.92182 -7.17812 1.11035 -3.69299 36.8599 TIMING: 3418000 CPU: 9922.24, 0.00289523/step Wall: 9922.24, 0.00289523/step, 1.27229 hours remaining, 205.726562 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: 3418000 730.2721 2046.3391 1952.0802 111.0537 -206088.4983 17721.6443 0.0000 0.0000 34198.8363 -149328.2725 298.6669 -183527.1089 -149228.0500 298.1390 -34.8583 -4.3188 557920.0739 2.8262 2.8632 PRESSURE: 3418200 -190.455 7.04346 -35.6494 7.04448 -189.846 -137.922 -35.6497 -137.921 -3.72171 GPRESSURE: 3418200 -149.737 -38.0188 -48.1069 10.2047 -171.223 -85.9752 -61.2324 -130.657 40.6327 PRESSAVG: 3418200 -34.995 17.9494 -59.3157 17.9494 -9.36714 -16.9589 -59.3157 -16.959 1.00238 GPRESSAVG: 3418200 -34.8483 13.8592 -61.5312 19.5715 -10.3483 -14.4168 -56.7707 -16.6867 2.34074 TIMING: 3418200 CPU: 9922.82, 0.00290968/step Wall: 9922.82, 0.00290968/step, 1.27848 hours remaining, 205.726562 MB of memory in use. ENERGY: 3418200 745.3353 2112.6166 1927.6908 117.6433 -206321.5944 17776.9641 0.0000 0.0000 34239.5411 -149401.8033 299.0224 -183641.3443 -149297.1291 298.5563 -128.0078 -93.4424 558407.1441 -14.4532 -14.2853 PRESSURE: 3418400 -252.691 -2.20419 -152.483 -2.20464 125.14 192.858 -152.483 192.858 49.0107 GPRESSURE: 3418400 -234.602 48.834 -207.921 -14.5909 152.657 191.425 -169.383 127.402 105.057 PRESSAVG: 3418400 -15.5935 17.153 34.4305 17.153 -4.8554 0.0981735 34.4305 0.0982585 18.2051 GPRESSAVG: 3418400 -16.4313 18.1867 36.5407 16.8529 -3.63563 -1.33747 34.0264 -0.793349 17.875 TIMING: 3418400 CPU: 9923.4, 0.00288928/step Wall: 9923.4, 0.00288928/step, 1.26936 hours remaining, 205.726562 MB of memory in use. ENERGY: 3418400 740.9130 2078.7913 1978.7126 121.2412 -206279.6853 17782.2078 0.0000 0.0000 34280.3143 -149297.5050 299.3785 -183577.8193 -149202.7872 298.3596 -26.1803 7.7039 558298.5781 -0.7479 -0.7306 PRESSURE: 3418600 -1.74479 139.06 -0.0539944 139.059 187.01 -83.7237 -0.0549183 -83.7246 181.946 GPRESSURE: 3418600 43.1425 32.0552 -72.0001 123.809 213.936 72.2259 67.4458 -148.065 203.801 PRESSAVG: 3418600 22.0585 41.7847 -30.8337 41.7847 -25.8593 -11.7652 -30.8337 -11.7654 -12.7469 GPRESSAVG: 3418600 22.3186 41.9669 -32.7062 41.2882 -26.5203 -13.4997 -30.7237 -10.2945 -12.3109 TIMING: 3418600 CPU: 9923.97, 0.00288727/step Wall: 9923.97, 0.00288727/step, 1.26832 hours remaining, 205.726562 MB of memory in use. ENERGY: 3418600 752.6926 2069.3846 1955.8485 104.3907 -206257.7868 17903.4343 0.0000 0.0000 34273.9024 -149198.1337 299.3225 -183472.0361 -149093.0923 298.9327 122.4039 153.6267 556285.3176 -5.5159 -5.5042 PRESSURE: 3418800 51.4478 104.406 -3.49763 104.406 -181.796 -139.887 -3.49707 -139.887 -105.32 GPRESSURE: 3418800 78.7836 178.167 4.11451 58.7221 -139.72 -12.5464 -5.9664 -107.553 -94.5706 PRESSAVG: 3418800 14.928 51.1695 -36.6173 51.1695 -25.9497 0.0391384 -36.6174 0.0391747 30.1796 GPRESSAVG: 3418800 15.585 54.2367 -34.3706 48.8637 -27.3193 3.11377 -38.7785 -2.70757 30.9056 TIMING: 3418800 CPU: 9924.56, 0.00290277/step Wall: 9924.56, 0.00290277/step, 1.27496 hours remaining, 205.726562 MB of memory in use. ENERGY: 3418800 766.6402 2093.4932 1965.3743 114.1022 -206006.1988 17782.5883 0.0000 0.0000 33915.5251 -149368.4756 296.1927 -183284.0007 -149264.1384 298.6247 -78.5563 -51.8357 556733.3606 6.3860 6.3905 PRESSURE: 3419000 3.45223 -76.6253 -63.3697 -76.6253 -253.791 -105.158 -63.368 -105.158 -132.441 GPRESSURE: 3419000 36.0997 -61.2048 -34.2706 -61.1097 -155.788 -124.245 -18.5527 -52.3197 -169.971 PRESSAVG: 3419000 -11.104 71.7046 -19.3738 71.7046 -32.6677 24.0858 -19.3738 24.0858 37.5155 GPRESSAVG: 3419000 -10.6872 69.4086 -18.6802 73.8077 -32.2944 23.0584 -18.3341 25.1048 37.1579 TIMING: 3419000 CPU: 9925.13, 0.00288169/step Wall: 9925.13, 0.00288169/step, 1.26554 hours remaining, 205.726562 MB of memory in use. ENERGY: 3419000 713.8936 2076.1637 1950.1508 124.1068 -206118.0529 17539.9886 0.0000 0.0000 34169.6533 -149544.0961 298.4121 -183713.7493 -149449.4489 298.3032 -127.5933 -96.5532 557058.2583 -2.0854 -1.9412 PRESSURE: 3419200 119.35 74.8419 135.63 74.8426 -207.191 19.1548 135.63 19.1553 -45.7279 GPRESSURE: 3419200 172.917 44.3619 70.6772 145.152 -147.439 43.4908 94.0909 20.3891 -53.6595 PRESSAVG: 3419200 85.0262 21.7657 -40.5253 21.7657 18.4055 26.0756 -40.5253 26.0756 -59.6341 GPRESSAVG: 3419200 84.1139 22.6 -42.5834 22.253 20.7766 24.8661 -39.5555 26.3723 -60.5298 TIMING: 3419200 CPU: 9925.71, 0.00288166/step Wall: 9925.71, 0.00288166/step, 1.26537 hours remaining, 205.726562 MB of memory in use. ENERGY: 3419200 706.8118 2097.2802 1962.2908 109.2624 -206225.0255 17721.6039 0.0000 0.0000 34126.2168 -149501.5596 298.0327 -183627.7764 -149401.2230 298.0450 -44.5230 -9.3938 557449.9442 14.5992 14.7869 PRESSURE: 3419400 19.6783 28.7166 28.5661 28.7166 -144.472 -213.038 28.5662 -213.038 329.825 GPRESSURE: 3419400 48.7372 16.0602 42.2737 24.8625 -127.605 -187.903 -4.32557 -253.245 374.251 PRESSAVG: 3419400 64.7055 1.73466 28.1081 1.73466 4.53644 -10.0581 28.1081 -10.058 -1.59376 GPRESSAVG: 3419400 64.9034 -0.0875493 28.4731 1.51569 3.26943 -9.4474 27.1365 -10.3722 -0.469846 TIMING: 3419400 CPU: 9926.28, 0.00287297/step Wall: 9926.28, 0.00287297/step, 1.26139 hours remaining, 205.726562 MB of memory in use. ENERGY: 3419400 748.6969 2103.8543 1946.1560 112.6219 -206499.3111 17823.6677 0.0000 0.0000 34227.3466 -149536.9676 298.9159 -183764.3142 -149438.1878 298.8133 68.3440 98.4612 556635.3396 22.5494 22.5677 PRESSURE: 3419600 -54.8907 48.4997 54.7361 48.4996 41.3986 15.086 54.7359 15.0864 -147.744 GPRESSURE: 3419600 -31.7407 15.9522 37.0646 98.2669 96.6409 -64.4956 35.8467 -3.53405 -129.831 PRESSAVG: 3419600 -50.5434 38.4507 21.6041 38.4506 57.381 3.50263 21.6042 3.50243 -7.15764 GPRESSAVG: 3419600 -49.8834 38.8226 20.4337 35.1893 56.7028 2.65523 23.0312 3.96999 -7.50976 TIMING: 3419600 CPU: 9926.87, 0.00292011/step Wall: 9926.87, 0.00292011/step, 1.28193 hours remaining, 205.726562 MB of memory in use. ENERGY: 3419600 756.4480 2058.4516 1964.4794 105.8283 -206476.2192 17797.1716 0.0000 0.0000 34270.8548 -149522.9854 299.2959 -183793.8402 -149422.1425 298.3764 -53.7455 -21.6436 557449.5023 -0.1067 -0.2301 PRESSURE: 3419800 -239.925 6.9355 10.845 6.93346 -262.507 -40.355 10.844 -40.3564 -82.537 GPRESSURE: 3419800 -175.723 35.3337 11.3163 -0.837611 -204.278 -82.1468 -30.8215 -57.3002 -104.705 PRESSAVG: 3419800 8.79577 -10.9144 40.6321 -10.9144 65.2141 -32.5681 40.6321 -32.5681 -75.5406 GPRESSAVG: 3419800 9.01101 -9.24295 43.3911 -8.1171 65.556 -32.7135 37.262 -32.583 -76.4805 TIMING: 3419800 CPU: 9927.45, 0.00289813/step Wall: 9927.45, 0.00289813/step, 1.27212 hours remaining, 205.726562 MB of memory in use. ENERGY: 3419800 744.7521 2096.8756 1958.5406 118.5820 -206238.5399 17681.0701 0.0000 0.0000 34167.3541 -149471.3654 298.3920 -183638.7195 -149376.3581 298.0983 -194.9897 -161.5686 558713.4383 -0.5102 -0.6379 PRESSURE: 3420000 71.3559 17.837 -178.372 17.8369 -96.1256 206.31 -178.373 206.311 -180.465 GPRESSURE: 3420000 120.813 59.4174 -114.636 22.8876 -46.9904 203.33 -131.8 201.315 -189.525 PRESSAVG: 3420000 3.81437 4.74274 -41.4034 4.74276 -1.58533 30.1937 -41.4034 30.1938 -34.3734 GPRESSAVG: 3420000 2.29055 2.76853 -41.5128 5.40244 -2.23495 30.2511 -40.4673 31.0697 -32.3693 TIMING: 3420000 CPU: 9928.02, 0.00288821/step Wall: 9928.02, 0.00288821/step, 1.2676 hours remaining, 205.726562 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: 3420000 737.1992 2082.3342 1941.6242 120.6054 -206327.7983 17908.9527 0.0000 0.0000 34063.7193 -149473.3634 297.4869 -183537.0828 -149381.7563 298.7454 -68.4114 -38.5675 557905.5704 -10.7148 -10.7712 PRESSURE: 3420200 96.7655 -82.0952 22.1567 -82.0949 35.2133 51.5764 22.1568 51.5766 78.7936 GPRESSURE: 3420200 125.913 -40.2013 95.1047 -57.2883 54.85 91.4521 -16.7489 5.87506 121.119 PRESSAVG: 3420200 12.2654 -18.8105 0.463761 -18.8106 -0.84857 0.883985 0.463754 0.883992 -18.3473 GPRESSAVG: 3420200 12.8685 -18.3312 -1.70015 -18.8932 -0.563237 1.23991 2.97921 0.971949 -19.1987 TIMING: 3420200 CPU: 9928.6, 0.00289772/step Wall: 9928.6, 0.00289772/step, 1.27162 hours remaining, 205.726562 MB of memory in use. ENERGY: 3420200 716.6857 2058.8561 1977.5756 116.6884 -206211.0089 17815.2410 0.0000 0.0000 34173.3395 -149352.6225 298.4443 -183525.9620 -149256.9742 298.9002 70.2575 100.6273 556522.9268 -2.3101 -2.2978 LDB: ============= START OF LOAD BALANCING ============== 9932.07 LDB: ============== END OF LOAD BALANCING =============== 9932.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9932.07 LDB: ============= START OF LOAD BALANCING ============== 9932.36 LDB: Largest compute 4819 load 0.029227 is 24.8% of average load 0.117920 LDB: Average compute 0.001706 is 1.4% of average load 0.117920 LDB: TIME 9932.36 LOAD: AVG 0.11792 MAX 0.177538 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.555 MB LDB: TIME 9932.36 LOAD: AVG 0.11792 MAX 0.177538 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 9932.36 LOAD: AVG 0.11792 MAX 0.177538 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: ============== END OF LOAD BALANCING =============== 9932.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9932.37 PRESSURE: 3420400 -92.3334 -53.2296 46.9095 -53.2296 -128.786 -59.6503 46.9096 -59.6507 -330.095 GPRESSURE: 3420400 -89.7128 -131.86 142.269 66.8259 -24.5687 -69.8751 -52.0748 -35.1379 -332.099 PRESSAVG: 3420400 9.26335 -66.2727 -1.28793 -66.2726 55.5779 48.5804 -1.28793 48.5803 -10.7261 GPRESSAVG: 3420400 9.25052 -66.6655 -0.0993745 -65.1016 56.2189 50.4202 -2.52856 44.7723 -11.4792 TIMING: 3420400 CPU: 9929.19, 0.00294875/step Wall: 9929.19, 0.00294875/step, 1.29384 hours remaining, 207.140625 MB of memory in use. ENERGY: 3420400 788.2525 2037.9934 1969.7776 124.3785 -206200.2987 17589.8024 0.0000 0.0000 34438.7457 -149251.3486 300.7621 -183690.0943 -149153.7228 298.8785 -183.7379 -148.7936 556502.2323 18.0384 17.9967 PRESSURE: 3420600 -291.032 -19.831 -16.2577 -19.8316 58.4193 6.28679 -16.2576 6.28669 16.6131 GPRESSURE: 3420600 -209.346 20.579 -28.9698 -16.1729 88.8497 8.60143 34.5627 43.5847 1.01996 PRESSAVG: 3420600 7.8192 -33.9421 -14.496 -33.9421 18.3955 46.3382 -14.4959 46.3382 16.4081 GPRESSAVG: 3420600 6.49905 -33.4008 -15.3484 -34.668 18.569 43.9395 -14.16 50.0473 16.7242 TIMING: 3420600 CPU: 9929.77, 0.00288142/step Wall: 9929.77, 0.00288142/step, 1.26414 hours remaining, 207.468750 MB of memory in use. ENERGY: 3420600 760.5302 2069.9626 1951.1472 118.5374 -206100.8797 17850.5052 0.0000 0.0000 34122.2701 -149227.9270 297.9983 -183350.1971 -149129.1470 299.4510 -71.9998 -39.8254 556349.0160 14.2076 13.9308 PRESSURE: 3420800 47.113 21.707 -117.449 21.7081 -24.4468 2.10042 -117.449 2.10022 215.962 GPRESSURE: 3420800 56.8124 -30.5148 -75.1425 20.7647 57.159 41.1125 -184.351 -13.3366 207.041 PRESSAVG: 3420800 -60.5588 -21.0781 8.64692 -21.0781 3.90587 -25.7932 8.64686 -25.793 30.5873 GPRESSAVG: 3420800 -61.4641 -20.7052 7.54354 -20.5783 4.09795 -22.8895 7.85837 -28.0858 31.0244 TIMING: 3420800 CPU: 9930.35, 0.00290195/step Wall: 9930.35, 0.00290195/step, 1.27299 hours remaining, 207.468750 MB of memory in use. ENERGY: 3420800 700.0586 2095.9481 1964.8886 113.9512 -206372.3674 17893.3048 0.0000 0.0000 34449.7425 -149154.4735 300.8582 -183604.2160 -149048.5793 299.4136 79.5428 107.0040 556691.8680 -8.6886 -8.7806 PRESSURE: 3421000 -242.256 38.1866 41.0112 38.1873 -38.471 59.9727 41.0113 59.9725 133.044 GPRESSURE: 3421000 -182.921 8.82723 25.0914 56.6779 13.7742 8.00345 67.9418 11.9078 117.654 PRESSAVG: 3421000 -20.8005 -1.34638 -27.1825 -1.34633 -44.0975 46.1571 -27.1825 46.157 70.7637 GPRESSAVG: 3421000 -20.5398 -0.813818 -25.7543 -2.19694 -44.2096 43.1433 -26.0177 47.2161 71.3409 TIMING: 3421000 CPU: 9930.93, 0.00291156/step Wall: 9930.93, 0.00291156/step, 1.27704 hours remaining, 207.468750 MB of memory in use. ENERGY: 3421000 768.4603 2142.2990 1965.5847 114.0272 -206044.2985 17671.8188 0.0000 0.0000 34199.2844 -149182.8241 298.6709 -183382.1085 -149083.6393 299.6553 -49.2280 -17.1642 558514.8538 1.9552 2.1972 PRESSURE: 3421200 54.3226 76.2599 147.442 76.2593 -275.907 -8.75692 147.443 -8.75595 -111.573 GPRESSURE: 3421200 96.9272 75.4942 172.887 36.6727 -290.207 -17.68 73.7438 32.5121 -48.2976 PRESSAVG: 3421200 -29.3083 -0.767676 -14.4722 -0.767635 1.28405 4.25344 -14.4721 4.25339 82.2405 GPRESSAVG: 3421200 -27.9104 -1.98452 -15.4565 0.627383 2.02935 4.54262 -14.5095 4.67212 79.7946 TIMING: 3421200 CPU: 9931.52, 0.00294915/step Wall: 9931.52, 0.00294915/step, 1.29337 hours remaining, 207.468750 MB of memory in use. ENERGY: 3421200 751.1835 2099.9704 1976.1993 112.2707 -205926.2309 17655.7772 0.0000 0.0000 34051.5516 -149279.2782 297.3807 -183330.8298 -149186.2621 299.5105 -111.0526 -80.5259 557548.2515 18.0721 17.9712 PRESSURE: 3421400 272.933 10.1791 -67.1521 10.1799 117.429 -243.817 -67.1524 -243.817 -19.4937 GPRESSURE: 3421400 257.352 -7.68025 -19.2833 -52.2207 135.725 -256.856 -176.643 -147.242 76.9526 PRESSAVG: 3421400 -36.1082 75.78 -20.093 75.7801 -14.1785 -85.226 -20.093 -85.2261 78.1263 GPRESSAVG: 3421400 -35.4707 75.9503 -18.5311 72.8361 -14.9294 -84.3406 -19.9786 -85.869 78.6499 TIMING: 3421400 CPU: 9932.11, 0.00291583/step Wall: 9932.11, 0.00291583/step, 1.27859 hours remaining, 207.468750 MB of memory in use. ENERGY: 3421400 730.3022 2103.4071 1953.5445 119.1246 -206563.5315 18017.9189 0.0000 0.0000 34393.4396 -149245.7947 300.3665 -183639.2343 -149145.8412 298.6289 123.6226 156.6767 557100.3121 9.2799 9.4166 PRESSURE: 3421600 -327.315 239.267 -14.8879 239.268 -411.209 160.826 -14.8878 160.828 -115.458 GPRESSURE: 3421600 -321.994 132.222 -22.7784 315.25 -346.824 95.5523 -30.7813 214.386 -92.4335 PRESSAVG: 3421600 -15.6423 14.3663 -57.7046 14.3663 -41.3343 -32.3084 -57.7046 -32.3084 18.5223 GPRESSAVG: 3421600 -16.0484 14.4047 -58.2991 15.9379 -39.8857 -32.909 -58.3328 -31.4523 18.4096 TIMING: 3421600 CPU: 9932.69, 0.0029093/step Wall: 9932.69, 0.0029093/step, 1.27557 hours remaining, 207.511719 MB of memory in use. ENERGY: 3421600 771.7015 2137.2208 1983.6725 111.0406 -205908.8767 17563.6966 0.0000 0.0000 34178.3950 -149163.1497 298.4884 -183341.5448 -149065.2302 299.3831 -284.6611 -253.7504 559052.3975 -12.8181 -12.5081 PRESSURE: 3421800 70.1658 -21.8766 -40.2033 -21.878 -66.1344 26.1867 -40.2019 26.1874 3.19673 GPRESSURE: 3421800 85.353 13.9579 -68.4871 -80.7422 -8.13426 95.3146 -35.299 -61.2854 29.3152 PRESSAVG: 3421800 32.9665 25.0564 -8.18454 25.0565 -33.4637 4.54249 -8.18449 4.5425 29.8105 GPRESSAVG: 3421800 31.9174 26.0404 -8.19677 25.296 -32.9785 5.159 -7.66642 3.13891 30.4925 TIMING: 3421800 CPU: 9933.26, 0.00287945/step Wall: 9933.26, 0.00287945/step, 1.26232 hours remaining, 207.511719 MB of memory in use. ENERGY: 3421800 692.2338 2135.9289 1950.5167 127.4904 -205756.6054 17681.9286 0.0000 0.0000 33943.2435 -149225.2635 296.4348 -183168.5070 -149135.7747 299.2554 2.4094 35.5113 557012.7219 9.7711 9.8105 PRESSURE: 3422000 26.43 10.4031 -72.6459 10.402 -67.0287 -31.2961 -72.6458 -31.2966 8.13227 GPRESSURE: 3422000 28.9459 -67.813 -69.8441 48.5745 -69.6591 -86.3316 -54.136 10.7698 107.207 PRESSAVG: 3422000 53.8014 16.7462 -10.3664 16.7462 -71.4681 31.279 -10.3662 31.279 29.7351 GPRESSAVG: 3422000 54.8857 17.4314 -11.9134 16.1304 -73.0779 31.0827 -8.96006 30.9342 30.4252 TIMING: 3422000 CPU: 9933.84, 0.00288887/step Wall: 9933.84, 0.00288887/step, 1.26629 hours remaining, 207.511719 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: 3422000 732.9578 2063.9739 1958.8910 113.6747 -206084.0790 17828.4376 0.0000 0.0000 34029.7645 -149356.3795 297.1904 -183386.1440 -149259.1458 298.6609 -10.8221 22.1646 557946.1646 4.0228 4.0777 PRESSURE: 3422200 -214.504 -106.427 68.8844 -106.427 18.1683 -25.5717 68.8837 -25.5717 121.183 GPRESSURE: 3422200 -196.518 -134.175 74.0873 -110.035 46.1154 18.4366 -2.57381 -64.9956 170.308 PRESSAVG: 3422200 -30.2076 -0.863098 -15.7947 -0.863165 -15.5182 38.7261 -15.7948 38.7262 62.3871 GPRESSAVG: 3422200 -30.6517 -2.66349 -15.0074 0.857848 -15.5472 39.1536 -16.7301 40.9993 62.5787 TIMING: 3422200 CPU: 9934.42, 0.00290104/step Wall: 9934.42, 0.00290104/step, 1.27146 hours remaining, 207.511719 MB of memory in use. ENERGY: 3422200 768.9830 2067.0589 1965.7280 116.9485 -206422.5239 18189.5938 0.0000 0.0000 34139.7909 -149174.4208 298.1513 -183314.2117 -149078.0135 298.9956 -25.0511 6.6350 558481.2591 5.5538 5.4599 PRESSURE: 3422400 -349.919 68.8834 -9.98457 68.8855 179.016 -47.0779 -9.98578 -47.0765 54.2397 GPRESSURE: 3422400 -311.029 122.07 15.3928 68.2592 225.679 -96.2408 4.6518 -4.33898 74.1984 PRESSAVG: 3422400 -61.9097 21.7765 19.6836 21.7765 -70.8352 -30.5801 19.6836 -30.5801 75.0159 GPRESSAVG: 3422400 -61.8742 22.0226 18.581 19.0512 -70.9997 -30.2137 20.275 -32.7976 75.2213 TIMING: 3422400 CPU: 9935, 0.00289884/step Wall: 9935, 0.00289884/step, 1.27034 hours remaining, 207.511719 MB of memory in use. ENERGY: 3422400 759.1168 2131.7576 1947.2385 125.1127 -206100.0890 17906.4046 0.0000 0.0000 34153.1692 -149077.2897 298.2681 -183230.4589 -148973.6232 299.0397 -38.8878 -3.7170 558381.3116 -19.2430 -19.2176 PRESSURE: 3422600 -63.9611 -190.302 60.2495 -190.304 -166.715 -113.927 60.25 -113.927 170.208 GPRESSURE: 3422600 -154.565 -189.53 98.4268 -140 -91.7627 22.5322 41.0967 -112.942 259.958 PRESSAVG: 3422600 -75.5409 10.1029 -20.1501 10.103 -0.888817 -12.3676 -20.1501 -12.3675 61.846 GPRESSAVG: 3422600 -76.1406 11.6308 -19.5365 9.98519 -1.06469 -11.2156 -21.1242 -12.6931 62.494 TIMING: 3422600 CPU: 9935.58, 0.00290501/step Wall: 9935.58, 0.00290501/step, 1.27288 hours remaining, 207.511719 MB of memory in use. ENERGY: 3422600 750.0735 2122.4509 1951.1267 115.3573 -206142.4111 17677.5420 0.0000 0.0000 34251.8459 -149274.0148 299.1299 -183525.8607 -149174.5527 298.8119 -20.1561 4.5431 557812.5748 -4.8613 -4.9038 PRESSURE: 3422800 -203.618 -2.94596 -102.83 -2.94527 -276.153 59.2583 -102.83 59.2579 -120.297 GPRESSURE: 3422800 -179.771 42.6025 -141.364 -69.9579 -239.276 -47.4097 -77.1346 119.24 -70.0711 PRESSAVG: 3422800 17.8898 -33.0491 -34.8623 -33.0492 2.2649 12.3594 -34.8622 12.3593 -20.4818 GPRESSAVG: 3422800 18.8793 -33.8036 -36.334 -33.0525 2.29833 10.4157 -33.9141 14.9503 -21.2568 TIMING: 3422800 CPU: 9936.16, 0.00288458/step Wall: 9936.16, 0.00288458/step, 1.26376 hours remaining, 207.511719 MB of memory in use. ENERGY: 3422800 737.7844 2109.0083 1951.5686 110.0070 -206152.1821 17581.3716 0.0000 0.0000 34365.2672 -149297.1750 300.1204 -183662.4423 -149197.3514 299.6592 -200.0225 -163.0395 559723.7259 -0.1090 -0.0264 PRESSURE: 3423000 -149.842 -163.672 -41.4571 -163.67 -50.154 38.8992 -41.4573 38.8987 -159.203 GPRESSURE: 3423000 -128.325 -164.105 -20.0457 -109.092 -24.0165 47.8811 -142.498 44.9913 -106.127 PRESSAVG: 3423000 -58.8909 -43.1262 -36.9699 -43.1262 -43.0894 68.0285 -36.9698 68.0285 84.3938 GPRESSAVG: 3423000 -59.9948 -43.0966 -33.306 -42.6056 -42.6571 68.4179 -38.6344 66.7772 84.5085 TIMING: 3423000 CPU: 9936.74, 0.00289356/step Wall: 9936.74, 0.00289356/step, 1.26754 hours remaining, 207.511719 MB of memory in use. ENERGY: 3423000 765.8313 2040.5586 1967.1215 137.9746 -206062.7651 17698.6671 0.0000 0.0000 34148.0282 -149304.5837 298.2232 -183452.6119 -149203.9358 298.8600 -119.7328 -86.1562 558222.2954 -5.8622 -6.0478 PRESSURE: 3423200 -266.342 10.7551 58.4376 10.7559 -169.859 105.128 58.4364 105.127 92.9752 GPRESSURE: 3423200 -216.641 -109.303 44.5649 23.7759 -162.162 22.9992 58.1436 130.385 129.092 PRESSAVG: 3423200 21.306 -47.2363 -23.1818 -47.2362 -8.23343 -10.9936 -23.1817 -10.9937 -6.94705 GPRESSAVG: 3423200 22.762 -48.2436 -24.8712 -48.0849 -8.28227 -12.0741 -21.7923 -8.30455 -7.97643 TIMING: 3423200 CPU: 9937.32, 0.00290664/step Wall: 9937.32, 0.00290664/step, 1.27311 hours remaining, 207.511719 MB of memory in use. ENERGY: 3423200 745.3731 2046.4980 1972.7369 120.4150 -206104.5468 17633.9977 0.0000 0.0000 34050.8457 -149534.6804 297.3745 -183585.5261 -149433.5534 298.2577 -114.4086 -83.2369 556179.2335 2.0418 2.1678 PRESSURE: 3423400 -327.401 19.0958 89.5232 19.0944 -216.045 178.022 89.5234 178.022 -225.148 GPRESSURE: 3423400 -225.683 93.1677 3.42801 8.03954 -274.909 194.56 71.7741 152.402 -180.963 PRESSAVG: 3423400 -69.2983 -23.447 -0.63275 -23.447 -39.7729 9.23598 -0.632858 9.236 91.6026 GPRESSAVG: 3423400 -70.6468 -22.7842 -1.39185 -22.83 -39.5127 10.5211 -2.4408 6.98417 92.2758 TIMING: 3423400 CPU: 9937.9, 0.00289113/step Wall: 9937.9, 0.00289113/step, 1.26615 hours remaining, 207.511719 MB of memory in use. ENERGY: 3423400 730.1323 2066.6896 1970.6655 106.1103 -206321.3069 17576.2878 0.0000 0.0000 34266.4548 -149604.9665 299.2575 -183871.4213 -149507.5759 297.8331 -256.1980 -227.1851 559037.5715 -5.8228 -5.9612 PRESSURE: 3423600 55.8678 85.1262 241.453 85.127 44.8764 -26.8129 241.453 -26.813 53.8006 GPRESSURE: 3423600 27.9764 24.5621 252.97 91.7821 134.557 -88.6612 194.106 81.4675 93.8606 PRESSAVG: 3423600 -10.3313 -10.357 15.9917 -10.3571 -20.4664 61.763 15.9917 61.7629 27.4482 GPRESSAVG: 3423600 -10.9772 -8.98767 14.4934 -9.98894 -20.1098 62.5814 16.4087 62.3139 27.378 TIMING: 3423600 CPU: 9938.47, 0.0028871/step Wall: 9938.47, 0.0028871/step, 1.26423 hours remaining, 207.511719 MB of memory in use. ENERGY: 3423600 743.2669 2079.1152 1948.9429 115.4141 -206769.7051 18036.3724 0.0000 0.0000 34314.3323 -149532.2613 299.6756 -183846.5936 -149434.4588 298.4587 51.5149 85.4648 556746.0790 -1.1165 -1.2363 PRESSURE: 3423800 -0.132555 9.21793 142.567 9.21832 -192.16 88.0208 142.566 88.0216 242.706 GPRESSURE: 3423800 -2.91675 -10.9636 88.4684 -13.3434 -149.645 -15.9241 245.348 105.384 299.05 PRESSAVG: 3423800 -12.7162 44.2171 40.4755 44.2171 43.7219 55.8077 40.4755 55.8078 -21.0487 GPRESSAVG: 3423800 -12.2834 43.437 43.3407 43.4891 43.8215 55.7193 42.1066 54.0972 -21.5697 TIMING: 3423800 CPU: 9939.06, 0.00292171/step Wall: 9939.06, 0.00292171/step, 1.27922 hours remaining, 207.511719 MB of memory in use. ENERGY: 3423800 725.9642 2091.6246 1959.2430 114.4086 -206816.5418 18066.4600 0.0000 0.0000 34221.0919 -149637.7495 298.8613 -183858.8414 -149543.1475 297.9220 16.8045 48.8294 558404.3185 3.3190 3.3228 PRESSURE: 3424000 -391.336 129.294 -26.8797 129.293 -202.598 9.7008 -26.8795 9.6999 104.413 GPRESSURE: 3424000 -386.633 148.025 -31.5672 97.4759 -157.663 -14.2571 -62.7729 -8.71185 136.393 PRESSAVG: 3424000 -46.564 83.5478 24.9313 83.5479 32.6654 44.9697 24.9313 44.9697 6.29153 GPRESSAVG: 3424000 -46.5515 80.9511 21.8876 86.4657 31.3962 43.9668 26.3419 47.6214 7.08347 TIMING: 3424000 CPU: 9939.64, 0.00289444/step Wall: 9939.64, 0.00289444/step, 1.26712 hours remaining, 207.511719 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: 3424000 747.8669 2062.4027 1986.8293 118.2755 -206587.7739 17815.1919 0.0000 0.0000 34148.8718 -149708.3358 298.2306 -183857.2076 -149608.2339 297.4601 -163.1736 -135.9679 557023.8068 -2.5357 -2.6906 PRESSURE: 3424200 36.3165 -126.452 -27.7181 -126.451 -43.822 23.784 -27.7195 23.7827 -3.27481 GPRESSURE: 3424200 84.8593 -129.075 -43.7706 -137.368 7.52446 52.0426 -1.57446 21.2132 -3.18081 PRESSAVG: 3424200 -16.6653 -13.9295 24.1796 -13.9295 12.6504 -10.8483 24.1795 -10.8482 20.9574 GPRESSAVG: 3424200 -16.369 -12.4213 26.1231 -16.7693 12.8172 -10.0414 21.6654 -12.9503 21.1888 TIMING: 3424200 CPU: 9940.22, 0.002902/step Wall: 9940.22, 0.002902/step, 1.27027 hours remaining, 207.511719 MB of memory in use. ENERGY: 3424200 719.2840 2038.6139 1944.4328 115.5781 -206572.0217 17902.6817 0.0000 0.0000 34214.3328 -149637.0982 298.8023 -183851.4311 -149536.6323 297.0833 -3.5935 29.7343 557713.4636 5.6475 5.8790 LDB: ============= START OF LOAD BALANCING ============== 9943.69 LDB: ============== END OF LOAD BALANCING =============== 9943.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9943.69 LDB: ============= START OF LOAD BALANCING ============== 9943.98 LDB: Largest compute 4820 load 0.028642 is 24.3% of average load 0.117772 LDB: Average compute 0.001711 is 1.5% of average load 0.117772 LDB: TIME 9943.98 LOAD: AVG 0.117772 MAX 0.179466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.895 MB LDB: TIME 9943.98 LOAD: AVG 0.117772 MAX 0.179466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: TIME 9943.98 LOAD: AVG 0.117772 MAX 0.179466 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.965 MB LDB: ============== END OF LOAD BALANCING =============== 9943.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9943.99 PRESSURE: 3424400 347.235 -35.7839 -61.8555 -35.7843 86.9608 -58.5681 -61.8558 -58.5659 257.12 GPRESSURE: 3424400 405.44 -43.2954 -84.5052 -24.8253 122.651 -8.91756 -86.4373 -178.042 259.355 PRESSAVG: 3424400 -18.2857 -63.2769 -5.88648 -63.2768 12.1116 31.4478 -5.88642 31.4477 17.4809 GPRESSAVG: 3424400 -17.8744 -63.9126 -6.23938 -62.78 13.0951 30.725 -5.56323 29.4499 16.0858 TIMING: 3424400 CPU: 9940.81, 0.00297595/step Wall: 9940.81, 0.00297595/step, 1.30247 hours remaining, 205.390625 MB of memory in use. ENERGY: 3424400 707.8390 2106.2518 1955.5467 112.3475 -206766.1229 18250.6390 0.0000 0.0000 34123.1418 -149510.3570 298.0059 -183633.4989 -149413.9676 298.4921 230.4385 262.4823 556955.9638 3.7690 3.7688 PRESSURE: 3424600 -167.617 -142.066 -98.9304 -142.066 81.0144 -62.2197 -98.9303 -62.2199 36.906 GPRESSURE: 3424600 -122.232 -97.4631 -125.944 -187.486 73.4862 -10.1298 -142.466 -53.3326 87.1188 PRESSAVG: 3424600 -19.8823 -14.6447 -25.1052 -14.6447 -35.5283 10.7226 -25.1052 10.7226 26.1912 GPRESSAVG: 3424600 -20.6486 -13.786 -24.463 -14.1781 -35.0275 9.6278 -28.5159 13.9421 26.5083 TIMING: 3424600 CPU: 9941.4, 0.00291676/step Wall: 9941.4, 0.00291676/step, 1.27641 hours remaining, 205.390625 MB of memory in use. ENERGY: 3424600 726.1806 2105.2677 1976.5656 113.0582 -206437.2283 17861.4835 0.0000 0.0000 34299.9560 -149354.7167 299.5500 -183654.6727 -149258.8690 298.7751 -16.5656 12.7911 557313.6754 -9.7398 -9.7226 PRESSURE: 3424800 90.2722 -84.4313 -54.3819 -84.4309 229.017 25.8348 -54.3819 25.8337 190.641 GPRESSURE: 3424800 151.571 -132 40.6244 -110.875 206.414 -11.4136 -128.566 9.17665 244.287 PRESSAVG: 3424800 -46.2657 -17.2009 -67.6923 -17.2008 9.22527 -11.5336 -67.6922 -11.5336 26.4856 GPRESSAVG: 3424800 -47.0018 -19.4599 -69.1016 -16.245 8.70911 -10.0913 -63.7725 -12.4283 27.8996 TIMING: 3424800 CPU: 9941.98, 0.00289514/step Wall: 9941.98, 0.00289514/step, 1.26678 hours remaining, 205.390625 MB of memory in use. ENERGY: 3424800 731.5307 2080.2120 1962.4357 116.7737 -206622.0206 18064.6888 0.0000 0.0000 34328.7405 -149337.6392 299.8014 -183666.3797 -149245.7548 298.8053 169.9766 200.7573 557165.7710 -3.5183 -3.4644 PRESSURE: 3425000 -238.233 -81.2464 134.401 -81.2451 94.5409 51.3165 134.402 51.3155 -20.7775 GPRESSURE: 3425000 -234.77 -136.114 118.823 26.3205 137.195 54.9561 170.525 70.2543 23.1416 PRESSAVG: 3425000 -12.6632 34.9133 -1.53182 34.9132 28.9687 23.2778 -1.53185 23.2779 -4.64123 GPRESSAVG: 3425000 -13.1603 36.3888 -0.181857 35.1695 27.8791 22.6586 -2.02646 23.8181 -3.14808 TIMING: 3425000 CPU: 9942.55, 0.00289231/step Wall: 9942.55, 0.00289231/step, 1.26539 hours remaining, 205.390625 MB of memory in use. ENERGY: 3425000 739.4301 2075.9671 1938.6260 117.2702 -206128.2164 17657.5031 0.0000 0.0000 34349.6789 -149249.7409 299.9843 -183599.4198 -149151.4584 299.1600 -54.8233 -24.8111 558671.7277 3.8881 3.8569 PRESSURE: 3425200 -36.6896 -242.203 -40.382 -242.202 36.4724 31.8189 -40.3836 31.8216 28.2518 GPRESSURE: 3425200 24.4452 -265.535 -41.026 -179.679 92.1609 51.1388 -40.9272 38.3434 2.84126 PRESSAVG: 3425200 -43.1828 -39.6966 97.0738 -39.6966 99.4249 20.9368 97.0739 20.9367 -21.9143 GPRESSAVG: 3425200 -41.3676 -38.8586 97.8806 -41.9375 98.5645 21.3803 97.1771 20.8399 -22.7692 TIMING: 3425200 CPU: 9943.13, 0.00288072/step Wall: 9943.13, 0.00288072/step, 1.26016 hours remaining, 205.390625 MB of memory in use. ENERGY: 3425200 736.6237 2125.5080 1957.6480 121.6155 -206458.4480 17881.7169 0.0000 0.0000 34224.3537 -149410.9822 298.8898 -183635.3359 -149310.2285 299.4270 9.3449 39.8158 557413.3093 11.4426 11.4759 PRESSURE: 3425400 -240.477 -21.3749 14.8066 -21.3736 -199.12 95.4917 14.8068 95.4898 -69.3271 GPRESSURE: 3425400 -205.05 -63.0526 50.678 -26.3931 -172.316 121.616 14.3363 116.712 -49.7293 PRESSAVG: 3425400 -77.7199 -33.6464 -6.50517 -33.6463 58.975 17.1449 -6.50516 17.145 2.91998 GPRESSAVG: 3425400 -78.8075 -33.0097 -8.26915 -33.4492 59.2676 16.311 -6.15454 17.7929 3.49998 TIMING: 3425400 CPU: 9943.71, 0.00290452/step Wall: 9943.71, 0.00290452/step, 1.2704 hours remaining, 205.390625 MB of memory in use. ENERGY: 3425400 771.0033 2094.8744 1949.2167 126.1394 -206299.1234 17792.0406 0.0000 0.0000 34113.6403 -149452.2087 297.9229 -183565.8490 -149356.9539 298.3352 -169.6417 -142.3653 557844.4205 -5.2750 -5.3466 PRESSURE: 3425600 -375.393 -102.847 141.322 -102.847 -119.757 -82.0308 141.323 -82.0299 -102.642 GPRESSURE: 3425600 -310.397 -85.4732 140.609 -132.045 -121.655 -117.254 136.913 34.0579 -75.1227 PRESSAVG: 3425600 -19.628 -36.7694 17.131 -36.7694 43.5911 -20.4917 17.131 -20.4918 -7.34734 GPRESSAVG: 3425600 -18.8225 -36.9291 20.9606 -35.5133 43.6075 -20.2168 13.887 -21.522 -7.91463 TIMING: 3425600 CPU: 9944.29, 0.00289464/step Wall: 9944.29, 0.00289464/step, 1.26592 hours remaining, 205.390625 MB of memory in use. ENERGY: 3425600 724.3069 2057.2908 1971.3553 116.7354 -206072.3281 17521.0849 0.0000 0.0000 34134.8341 -149546.7207 298.1080 -183681.5548 -149451.8674 298.3054 -199.2642 -169.0581 558353.5609 5.5386 5.6235 PRESSURE: 3425800 -222.822 -78.1155 131.667 -78.1163 -301.222 3.65707 131.666 3.65616 -115.727 GPRESSURE: 3425800 -208.333 -3.13539 160.168 -71.93 -295.736 -50.3192 149.278 64.1904 -39.4783 PRESSAVG: 3425800 -59.3095 -18.2966 64.9391 -18.2966 57.977 34.9397 64.9391 34.9396 9.35981 GPRESSAVG: 3425800 -58.9824 -20.0005 62.8023 -20.1897 59.2361 34.8643 67.0607 34.6984 7.14899 TIMING: 3425800 CPU: 9944.87, 0.00290047/step Wall: 9944.87, 0.00290047/step, 1.26831 hours remaining, 205.390625 MB of memory in use. ENERGY: 3425800 784.9033 2092.9048 1961.2013 118.5956 -205809.5144 17300.9434 0.0000 0.0000 34146.6358 -149404.3302 298.2111 -183550.9660 -149302.1041 299.1980 -213.2572 -181.1823 556217.2878 2.6758 2.4675 PRESSURE: 3426000 6.54801 -71.6606 54.0211 -71.6612 -261.074 37.046 54.0219 37.045 46.9156 GPRESSURE: 3426000 21.63 -147.656 76.3209 17.6172 -239.21 32.5744 63.1808 73.5684 104.541 PRESSAVG: 3426000 2.50408 -47.1276 19.1418 -47.1276 40.6455 8.63641 19.1417 8.63634 -46.1387 GPRESSAVG: 3426000 2.18518 -45.8647 17.9879 -43.4748 39.6586 9.92773 20.9122 9.22936 -44.2925 TIMING: 3426000 CPU: 9945.45, 0.00288563/step Wall: 9945.45, 0.00288563/step, 1.26166 hours remaining, 205.390625 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: 3426000 741.0098 2114.7893 1957.8826 114.8853 -206423.8319 17971.9871 0.0000 0.0000 34237.5132 -149285.7645 299.0047 -183523.2778 -149194.9273 299.0798 -69.2035 -37.6798 557596.7684 -0.9964 -0.8162 PRESSURE: 3426200 -317.506 -11.7501 -126.266 -11.7504 45.9158 -146.885 -126.266 -146.886 41.9987 GPRESSURE: 3426200 -286.924 -32.4967 -145.164 -59.7827 73.834 -265.327 -90.7817 -211.661 81.5502 PRESSAVG: 3426200 -5.8768 -29.562 -26.253 -29.562 23.4947 -39.1983 -26.2531 -39.1984 17.836 GPRESSAVG: 3426200 -6.72468 -30.346 -26.5495 -31.1171 23.9808 -40.7593 -27.8988 -38.5421 18.4198 TIMING: 3426200 CPU: 9946.02, 0.00287786/step Wall: 9946.02, 0.00287786/step, 1.25811 hours remaining, 205.390625 MB of memory in use. ENERGY: 3426200 694.0881 2122.8514 1949.0240 107.1854 -206219.7665 17873.5791 0.0000 0.0000 34183.0247 -149290.0138 298.5289 -183473.0386 -149192.8864 299.2905 -76.5306 -43.8465 558926.6225 11.8180 11.8920 PRESSURE: 3426400 -217.967 71.3408 -113.67 71.342 -40.9129 134.086 -113.668 134.088 -202.058 GPRESSURE: 3426400 -153.295 96.8975 -44.4206 85.6062 10.1339 108.05 -143.597 103.413 -226.866 PRESSAVG: 3426400 -22.5406 -9.20357 -1.84444 -9.20354 -39.7958 -31.4238 -1.84442 -31.4237 54.7224 GPRESSAVG: 3426400 -21.3263 -6.55003 0.254827 -10.7662 -40.7173 -32.3652 -3.30791 -32.0675 53.8197 TIMING: 3426400 CPU: 9946.6, 0.00290066/step Wall: 9946.6, 0.00290066/step, 1.26791 hours remaining, 205.593750 MB of memory in use. ENERGY: 3426400 749.2032 2149.2949 1916.9967 112.8485 -205872.5955 17602.5595 0.0000 0.0000 34084.6550 -149257.0377 297.6698 -183341.6926 -149154.8097 298.6060 -153.6458 -123.3424 559174.4034 -2.5380 -2.7413 PRESSURE: 3426600 -137.616 167.276 -41.283 167.277 131.292 94.7169 -41.2839 94.7178 251.308 GPRESSURE: 3426600 -102.727 197.128 -85.6474 108.786 204.546 48.697 -34.1736 104.919 236.344 PRESSAVG: 3426600 16.5071 3.71682 -10.1538 3.71683 16.9004 1.46507 -10.1539 1.46513 -21.2498 GPRESSAVG: 3426600 15.7074 2.79432 -11.7562 3.82933 17.0308 3.47126 -8.64378 2.76933 -20.745 TIMING: 3426600 CPU: 9947.18, 0.00289231/step Wall: 9947.18, 0.00289231/step, 1.2641 hours remaining, 205.593750 MB of memory in use. ENERGY: 3426600 752.8023 2088.4028 1962.6315 111.7077 -206546.1163 18030.3892 0.0000 0.0000 34095.8022 -149504.3806 297.7671 -183600.1828 -149410.7743 298.6533 81.6613 112.7210 556811.6158 4.0526 3.9977 PRESSURE: 3426800 -15.4376 203.182 -159.393 203.18 120.997 -52.0052 -159.392 -52.005 228.636 GPRESSURE: 3426800 7.01512 270.187 -211.511 66.6988 151.922 -54.7184 -136.258 -12.6839 284.569 PRESSAVG: 3426800 5.3054 -15.3267 -60.2684 -15.3267 1.01884 -118.159 -60.2683 -118.159 -5.56865 GPRESSAVG: 3426800 5.46129 -15.5904 -59.7821 -14.3725 1.31117 -119.735 -61.1025 -117.76 -5.93817 TIMING: 3426800 CPU: 9947.76, 0.00290502/step Wall: 9947.76, 0.00290502/step, 1.26949 hours remaining, 205.593750 MB of memory in use. ENERGY: 3426800 736.9306 2143.5994 1968.8954 109.9238 -206620.0940 18014.5266 0.0000 0.0000 34163.0179 -149483.2003 298.3541 -183646.2182 -149392.2296 298.5448 111.3985 147.8356 555878.3295 0.2519 0.2781 PRESSURE: 3427000 -176.231 110.12 -121.422 110.121 -13.2776 40.4423 -121.421 40.4413 -226.234 GPRESSURE: 3427000 -111.821 98.1228 -92.3277 65.362 14.7342 22.2505 -27.505 33.0712 -225.397 PRESSAVG: 3427000 -16.0605 17.9876 -44.2978 17.9876 47.1959 11.8613 -44.2978 11.8614 -18.1 GPRESSAVG: 3427000 -17.4104 16.0363 -45.1309 19.0245 47.2747 11.647 -42.5373 11.2787 -17.1284 TIMING: 3427000 CPU: 9948.34, 0.00289908/step Wall: 9948.34, 0.00289908/step, 1.26674 hours remaining, 205.593750 MB of memory in use. ENERGY: 3427000 758.8823 2111.8335 1955.2265 114.7392 -206350.1735 17704.8360 0.0000 0.0000 34073.7423 -149630.9139 297.5745 -183704.6561 -149533.9242 297.9479 -138.5806 -107.4943 556977.9074 4.3451 4.2453 PRESSURE: 3427200 -113.648 -60.467 -62.5834 -60.4672 -32.3758 7.2707 -62.5835 7.27007 6.52533 GPRESSURE: 3427200 -105.139 -80.0231 -110.364 -35.8598 -12.9085 15.078 -112.609 -0.384935 74.8485 PRESSAVG: 3427200 24.3744 52.1416 -72.7655 52.1417 6.54067 47.5243 -72.7655 47.5242 -35.3939 GPRESSAVG: 3427200 24.7451 53.4169 -68.6696 50.4881 6.76865 48.4244 -76.0627 47.5575 -35.5465 TIMING: 3427200 CPU: 9948.92, 0.00288855/step Wall: 9948.92, 0.00288855/step, 1.26197 hours remaining, 205.593750 MB of memory in use. ENERGY: 3427200 766.8895 2047.6878 1961.0548 115.1932 -206771.0593 17907.3496 0.0000 0.0000 34208.4108 -149764.4736 298.7506 -183972.8844 -149672.3010 297.1473 -46.4993 -14.3998 557077.8672 -1.4929 -1.3442 PRESSURE: 3427400 -122.574 58.7642 -9.27773 58.765 -12.5882 110.382 -9.27679 110.384 -48.8846 GPRESSURE: 3427400 -126.004 86.999 -48.8039 50.0517 44.1888 94.8023 -72.3669 202.104 6.35364 PRESSAVG: 3427400 -3.9462 -2.87459 7.0611 -2.87465 17.4603 76.616 7.06112 76.6162 -42.3563 GPRESSAVG: 3427400 -2.5464 -3.88649 4.06143 -2.75624 17.1994 75.7012 9.83558 77.0379 -43.0932 TIMING: 3427400 CPU: 9949.5, 0.00290379/step Wall: 9949.5, 0.00290379/step, 1.26847 hours remaining, 205.593750 MB of memory in use. ENERGY: 3427400 724.5111 2005.2474 1978.4838 119.4690 -206124.5254 17752.7886 0.0000 0.0000 33952.9169 -149591.1086 296.5193 -183544.0255 -149499.2177 298.3203 -61.3490 -25.1539 557867.4597 -9.6140 -9.4801 PRESSURE: 3427600 -113.428 102.418 -50.345 102.418 -29.8068 48.1365 -50.3443 48.1378 -271.732 GPRESSURE: 3427600 -126.454 79.6199 -60.0705 181.251 78.257 79.6753 -53.4477 -9.15148 -264.632 PRESSAVG: 3427600 -30.0987 69.521 -27.3613 69.5211 57.5981 23.5695 -27.3613 23.5696 -39.6244 GPRESSAVG: 3427600 -30.6678 70.6231 -27.4442 70.6504 57.0635 24.7473 -28.6281 23.7031 -38.5229 TIMING: 3427600 CPU: 9950.08, 0.00290918/step Wall: 9950.08, 0.00290918/step, 1.27067 hours remaining, 205.593750 MB of memory in use. ENERGY: 3427600 744.8233 2097.6917 1979.2137 117.0459 -206287.1952 17775.4874 0.0000 0.0000 33974.9585 -149597.9746 296.7118 -183572.9331 -149506.5595 297.5985 -138.3222 -104.2762 558789.2251 -4.0416 -4.0424 PRESSURE: 3427800 -5.5792 163.262 -11.9144 163.262 -155.624 -62.4394 -11.9145 -62.4405 -396.86 GPRESSURE: 3427800 -12.7331 205.038 -101.791 96.7741 -131.942 -36.1801 -1.69285 -69.156 -325.24 PRESSAVG: 3427800 9.34054 37.8551 0.149358 37.855 45.7583 -81.6879 0.149313 -81.6879 -57.3337 GPRESSAVG: 3427800 9.71239 38.6587 -1.08646 37.1153 46.3006 -82.2665 -0.105953 -80.54 -58.6243 TIMING: 3427800 CPU: 9950.66, 0.00290122/step Wall: 9950.66, 0.00290122/step, 1.26703 hours remaining, 205.593750 MB of memory in use. ENERGY: 3427800 735.8466 2102.0323 1964.7416 133.5330 -206046.3504 17631.6979 0.0000 0.0000 34146.5786 -149331.9203 298.2106 -183478.4990 -149241.5625 298.3081 -186.0209 -156.6382 558223.1929 -0.7450 -0.8704 PRESSURE: 3428000 146.35 167.641 86.7345 167.642 43.2862 -68.2833 86.7347 -68.2832 -135.128 GPRESSURE: 3428000 163.441 97.3904 77.2891 254.489 74.3579 -108.639 111.735 -97.7892 -93.1244 PRESSAVG: 3428000 37.6235 49.0757 -15.3427 49.0758 55.9845 -5.89125 -15.3427 -5.89135 -53.2849 GPRESSAVG: 3428000 37.5761 47.1319 -14.1729 49.5144 55.3291 -4.32163 -16.4721 -7.54727 -52.6729 TIMING: 3428000 CPU: 9951.24, 0.00288727/step Wall: 9951.24, 0.00288727/step, 1.26077 hours remaining, 205.593750 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: 3428000 728.7891 2085.5058 1967.2605 123.0771 -206363.0825 17984.1136 0.0000 0.0000 34156.8950 -149317.4413 298.3007 -183474.3364 -149221.0979 298.3735 18.1696 48.2248 558866.2566 13.4411 13.4107 PRESSURE: 3428200 81.3746 -53.4953 182.761 -53.4964 -42.2135 40.2041 182.761 40.2042 176.029 GPRESSURE: 3428200 159.556 -24.0162 140.341 -113.046 -0.575139 7.3549 236.18 56.5719 149.059 PRESSAVG: 3428200 42.3846 51.3355 11.8043 51.3355 -96.6381 -0.413494 11.8042 -0.413599 21.2234 GPRESSAVG: 3428200 42.4333 52.3892 13.1135 52.1029 -97.3801 -2.36149 12.51 0.481889 21.8529 TIMING: 3428200 CPU: 9951.82, 0.00290029/step Wall: 9951.82, 0.00290029/step, 1.2663 hours remaining, 205.593750 MB of memory in use. ENERGY: 3428200 741.3486 2070.0029 1951.1616 107.2430 -206646.7125 17984.7911 0.0000 0.0000 34462.5465 -149329.6188 300.9700 -183792.1653 -149242.2841 298.6107 71.7301 102.6800 558674.2030 -11.0100 -11.0313 LDB: ============= START OF LOAD BALANCING ============== 9955.29 LDB: ============== END OF LOAD BALANCING =============== 9955.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9955.29 LDB: ============= START OF LOAD BALANCING ============== 9955.58 LDB: Largest compute 4848 load 0.030162 is 25.6% of average load 0.117796 LDB: Average compute 0.001713 is 1.5% of average load 0.117796 LDB: TIME 9955.58 LOAD: AVG 0.117796 MAX 0.177494 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.418 MB LDB: TIME 9955.58 LOAD: AVG 0.117796 MAX 0.177494 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: TIME 9955.58 LOAD: AVG 0.117796 MAX 0.177494 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: ============== END OF LOAD BALANCING =============== 9955.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9955.59 PRESSURE: 3428400 131.271 -3.31973 -55.5197 -3.31871 35.3935 6.59056 -55.5196 6.58933 -72.9871 GPRESSURE: 3428400 111.415 1.78727 -46.5562 -31.6116 58.6903 30.0086 -79.8372 12.4067 14.2852 PRESSAVG: 3428400 22.1132 -4.11607 -4.79753 -4.11605 -29.2407 -11.3427 -4.79746 -11.3426 42.5589 GPRESSAVG: 3428400 22.5623 -3.94443 -5.45242 -5.59463 -29.3694 -13.1955 -3.75602 -11.3398 42.2922 TIMING: 3428400 CPU: 9952.41, 0.00295227/step Wall: 9952.41, 0.00295227/step, 1.28883 hours remaining, 205.839844 MB of memory in use. ENERGY: 3428400 737.0259 2115.6084 1961.9480 128.2118 -206267.8113 17826.9120 0.0000 0.0000 34148.2708 -149349.8345 298.2253 -183498.1053 -149249.1655 298.7712 31.2259 61.4637 558699.8678 11.8105 11.8284 PRESSURE: 3428600 69.9931 160.293 -63.135 160.294 16.4708 17.262 -63.1345 17.2625 -35.0534 GPRESSURE: 3428600 108.613 92.1198 -88.7544 174.267 31.4454 -45.1971 -41.6258 -14.3061 17.3475 PRESSAVG: 3428600 45.3831 6.31723 5.46235 6.31726 24.1094 2.77249 5.46236 2.7725 -51.4881 GPRESSAVG: 3428600 44.8017 5.81546 6.65894 5.20223 24.7961 4.8817 5.85022 1.24619 -51.97 TIMING: 3428600 CPU: 9952.99, 0.00287901/step Wall: 9952.99, 0.00287901/step, 1.25669 hours remaining, 206.042969 MB of memory in use. ENERGY: 3428600 753.4254 2047.4810 1969.2706 100.8871 -206066.3684 17833.9921 0.0000 0.0000 34195.5471 -149165.7652 298.6382 -183361.3123 -149064.0263 297.9387 17.1368 52.4687 558489.1585 6.0014 5.8759 PRESSURE: 3428800 -108.517 -145.561 108.024 -145.56 -225.171 78.0985 108.025 78.0988 -239.499 GPRESSURE: 3428800 -96.4822 -88.5546 85.6886 -228.988 -168.162 196.575 75.2709 -10.2896 -221.117 PRESSAVG: 3428800 -13.4618 21.1193 29.1377 21.1194 20.7693 -4.59772 29.1378 -4.5976 -32.3997 GPRESSAVG: 3428800 -13.26 22.5953 26.7022 22.625 21.3637 -4.19499 30.227 -4.2133 -33.3627 TIMING: 3428800 CPU: 9953.56, 0.00288121/step Wall: 9953.56, 0.00288121/step, 1.25749 hours remaining, 206.042969 MB of memory in use. ENERGY: 3428800 741.3613 2093.6629 1965.0496 117.2835 -206141.4502 17681.4643 0.0000 0.0000 34366.3105 -149176.3183 300.1295 -183542.6287 -149076.9164 299.1316 -191.0625 -161.9204 560337.2823 -8.3641 -8.4197 PRESSURE: 3429000 326.394 18.1711 180.019 18.1701 189.352 97.0003 180.019 97.0006 0.744692 GPRESSURE: 3429000 380.846 32.1188 145.094 5.1792 265.067 119.552 143.205 127.816 -23.1592 PRESSAVG: 3429000 33.4935 20.2458 -45.7293 20.2458 -54.4641 5.81054 -45.7293 5.81051 1.15622 GPRESSAVG: 3429000 32.5151 17.2263 -45.0136 21.2352 -54.0111 6.04638 -46.3429 7.2385 0.937949 TIMING: 3429000 CPU: 9954.14, 0.00288461/step Wall: 9954.14, 0.00288461/step, 1.25881 hours remaining, 206.042969 MB of memory in use. ENERGY: 3429000 743.5946 2062.0089 1950.0626 109.8425 -206209.2029 18102.5607 0.0000 0.0000 34161.9582 -149079.1754 298.3449 -183241.1336 -148985.1278 298.5855 172.1636 207.5843 559031.5677 -6.6048 -6.8527 PRESSURE: 3429200 38.1736 -126.738 63.4131 -126.738 -122.425 72.1664 63.4148 72.1674 -29.332 GPRESSURE: 3429200 51.7035 -67.3835 48.5703 -144.814 -100.965 195.477 71.0717 10.3523 20.0865 PRESSAVG: 3429200 -4.98798 8.77454 7.96253 8.77454 -38.4114 13.919 7.96257 13.9189 33.9909 GPRESSAVG: 3429200 -5.13874 9.45814 9.0884 7.77309 -38.8828 14.118 7.65956 12.5124 34.6523 TIMING: 3429200 CPU: 9954.73, 0.00292876/step Wall: 9954.73, 0.00292876/step, 1.27791 hours remaining, 206.042969 MB of memory in use. ENERGY: 3429200 717.4914 2073.2099 1944.8802 115.8654 -206184.5381 17727.4079 0.0000 0.0000 34484.5650 -149121.1183 301.1623 -183605.6833 -149027.2772 299.2948 -37.8613 -9.7251 559213.0112 -3.1361 -3.1231 PRESSURE: 3429400 -88.0412 -63.117 19.8635 -63.117 -280.75 13.8383 19.8635 13.8356 -214.043 GPRESSURE: 3429400 -17.7291 -124.387 -16.128 7.80872 -260.271 5.4106 -76.1439 34.4775 -193.908 PRESSAVG: 3429400 -17.0744 -30.6271 72.9393 -30.6271 -31.0438 -20.785 72.9393 -20.7851 15.2391 GPRESSAVG: 3429400 -17.2014 -29.5168 71.7303 -30.2537 -31.606 -22.6389 73.7311 -19.1558 16.0481 TIMING: 3429400 CPU: 9955.31, 0.00290414/step Wall: 9955.31, 0.00290414/step, 1.26701 hours remaining, 206.042969 MB of memory in use. ENERGY: 3429400 731.3835 2037.1893 1937.7671 110.6308 -205739.7371 17546.8572 0.0000 0.0000 34264.5404 -149111.3687 299.2408 -183375.9092 -149017.4582 299.3593 -194.2781 -157.3024 557639.9209 -10.9597 -10.9198 PRESSURE: 3429600 -104.723 104.096 -115.864 104.095 -29.4304 -67.1957 -115.865 -67.1949 38.5377 GPRESSURE: 3429600 -75.6903 137.614 -88.3278 49.7006 75.4366 2.64408 -94.5835 -100.824 2.99993 PRESSAVG: 3429600 60.6232 -6.80851 -3.28507 -6.80841 -67.824 -41.6645 -3.28505 -41.6646 33.3637 GPRESSAVG: 3429600 61.1737 -7.9235 -3.56672 -8.17088 -68.2047 -41.1891 -5.55465 -41.8659 32.7948 TIMING: 3429600 CPU: 9955.89, 0.00290865/step Wall: 9955.89, 0.00290865/step, 1.26882 hours remaining, 206.042969 MB of memory in use. ENERGY: 3429600 757.3757 2102.1903 1938.3058 105.9082 -206438.9109 17917.9598 0.0000 0.0000 34433.9972 -149183.1739 300.7207 -183617.1711 -149085.1391 299.4013 -31.8719 0.9154 556802.5942 8.7210 8.5879 PRESSURE: 3429800 -250.485 -16.6134 65.2327 -16.6127 -138.022 -79.9879 65.2332 -79.9881 -190.182 GPRESSURE: 3429800 -160.201 14.7407 95.6541 -48.6239 -106.278 -58.1372 30.8001 -159.167 -206.049 PRESSAVG: 3429800 32.0036 6.96565 -61.8468 6.96574 -42.3333 -10.3594 -61.8468 -10.3595 10.4801 GPRESSAVG: 3429800 32.2626 6.47977 -61.0045 8.82457 -41.6116 -11.1718 -60.5018 -10.7422 10.3008 TIMING: 3429800 CPU: 9956.47, 0.00292755/step Wall: 9956.47, 0.00292755/step, 1.2769 hours remaining, 206.042969 MB of memory in use. ENERGY: 3429800 723.4179 2091.7543 1967.9543 105.2197 -206003.8117 17675.5558 0.0000 0.0000 34256.0469 -149183.8628 299.1666 -183439.9097 -149080.1078 299.2171 -192.8964 -157.5094 559361.2069 0.0502 0.3173 PRESSURE: 3430000 270.193 94.3011 -36.5447 94.3012 -265.452 -155.117 -36.5453 -155.118 128.667 GPRESSURE: 3430000 214.884 160.611 9.51316 21.7652 -149.607 -181.398 -20.6719 -127.756 162.784 PRESSAVG: 3430000 -21.6646 55.7601 -46.448 55.7602 -15.6203 -34.311 -46.448 -34.3109 56.1005 GPRESSAVG: 3430000 -20.4058 57.8113 -46.6853 54.9494 -17.5965 -34.4689 -47.4255 -34.0974 56.8956 TIMING: 3430000 CPU: 9957.05, 0.0029075/step Wall: 9957.05, 0.0029075/step, 1.26799 hours remaining, 206.042969 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: 3430000 766.8235 2051.0465 1956.8724 108.6167 -206214.7570 17952.2834 0.0000 0.0000 34258.1708 -149120.9437 299.1851 -183379.1145 -149027.5869 299.0994 44.4692 76.0204 557614.4556 6.2719 6.2978 PRESSURE: 3430200 -54.5097 -29.9986 -29.1864 -29.9992 -227.789 -6.3862 -29.188 -6.38526 197.41 GPRESSURE: 3430200 -42.776 6.20116 -102.661 -27.5518 -207.613 -68.9469 6.70983 -11.3898 275.208 PRESSAVG: 3430200 15.1148 41.8454 -9.61081 41.8454 -1.31559 -8.38797 -9.61082 -8.38803 35.4033 GPRESSAVG: 3430200 14.1909 41.9621 -10.8646 42.1325 0.0406258 -8.4747 -9.90771 -10.0863 35.2619 TIMING: 3430200 CPU: 9957.63, 0.00288843/step Wall: 9957.63, 0.00288843/step, 1.25952 hours remaining, 206.113281 MB of memory in use. ENERGY: 3430200 729.9974 2063.0764 1939.3299 123.1323 -205762.7946 17544.6588 0.0000 0.0000 34246.2710 -149116.3288 299.0812 -183362.5998 -149016.3103 298.9514 -28.2962 8.2730 558162.2200 16.4008 16.4978 PRESSURE: 3430400 -194.991 74.0992 10.3596 74.0997 48.3842 -219.634 10.3596 -219.636 -36.1297 GPRESSURE: 3430400 -160.433 69.0939 80.2864 87.5639 57.1954 -288.619 -3.74086 -258.278 13.7376 PRESSAVG: 3430400 -33.2887 52.5916 -7.86558 52.5915 15.7422 -4.32564 -7.86551 -4.32562 19.9813 GPRESSAVG: 3430400 -33.8565 50.4129 -6.88584 54.1379 16.2752 -3.12566 -4.76926 -3.45266 19.301 TIMING: 3430400 CPU: 9958.21, 0.00289153/step Wall: 9958.21, 0.00289153/step, 1.26071 hours remaining, 206.113281 MB of memory in use. ENERGY: 3430400 748.2076 2069.5956 1935.8152 102.2536 -205717.3123 17660.6320 0.0000 0.0000 34144.3468 -149056.4615 298.1911 -183200.8082 -148960.1223 299.1580 -60.9123 -29.8335 558042.9747 0.8116 0.5733 PRESSURE: 3430600 46.8165 96.7754 -70.4285 96.7772 80.2161 -236.565 -70.4268 -236.566 2.81403 GPRESSURE: 3430600 72.245 100.322 -43.3631 39.7207 102.37 -296.972 -43.1794 -274.494 56.4066 PRESSAVG: 3430600 -19.5338 -27.6936 -47.2364 -27.6935 20.3957 -43.6035 -47.2363 -43.6036 -12.5011 GPRESSAVG: 3430600 -18.8185 -28.2264 -45.1934 -28.8248 19.8215 -41.3225 -48.9142 -46.2639 -12.5889 TIMING: 3430600 CPU: 9958.79, 0.00289575/step Wall: 9958.79, 0.00289574/step, 1.26238 hours remaining, 206.113281 MB of memory in use. ENERGY: 3430600 733.5140 2059.8546 1954.9282 95.1473 -206188.5186 17880.9212 0.0000 0.0000 34354.2730 -149109.8802 300.0244 -183464.1532 -149016.3902 299.1231 43.2822 77.0072 556507.3333 -3.8798 -3.8620 PRESSURE: 3430800 -34.8491 -167.025 -12.5343 -167.026 -279.036 86.8478 -12.5338 86.8473 -175.773 GPRESSURE: 3430800 -53.4654 -104.111 -40.2637 -120.193 -152.591 -19.4963 18.3208 38.9563 -171.652 PRESSAVG: 3430800 -10.4414 9.52701 -33.4546 9.52699 -29.4979 -7.0398 -33.4546 -7.03984 -9.08176 GPRESSAVG: 3430800 -11.1049 12.0885 -35.369 7.9791 -28.2294 -11.1967 -32.3947 -5.4152 -9.46078 TIMING: 3430800 CPU: 9959.37, 0.00291439/step Wall: 9959.37, 0.00291439/step, 1.27035 hours remaining, 206.113281 MB of memory in use. ENERGY: 3430800 735.4471 2061.3704 1956.0785 106.1939 -205581.5522 17413.8928 0.0000 0.0000 34361.4223 -148947.1471 300.0868 -183308.5695 -148851.4234 299.6219 -163.2194 -125.9026 557415.0645 -16.3404 -16.2650 PRESSURE: 3431000 -150.521 133.176 37.3814 133.175 57.9256 72.818 37.3821 72.8198 139.864 GPRESSURE: 3431000 -173.458 99.6842 -8.79953 226.517 147.769 88.3155 65.3438 131.793 175.419 PRESSAVG: 3431000 -5.11946 -29.2194 55.4749 -29.2194 10.0884 -18.7501 55.4748 -18.7502 8.57848 GPRESSAVG: 3431000 -4.71887 -29.6469 56.4945 -28.797 10.8624 -15.5776 53.8901 -19.4434 7.64322 TIMING: 3431000 CPU: 9959.95, 0.00290767/step Wall: 9959.95, 0.00290767/step, 1.26726 hours remaining, 206.113281 MB of memory in use. ENERGY: 3431000 755.9595 2064.1886 1962.6385 114.1430 -205833.0367 17675.4397 0.0000 0.0000 34178.0460 -149082.6213 298.4854 -183260.6673 -148979.8330 299.3678 15.7560 49.9103 558461.4852 4.5158 4.5956 PRESSURE: 3431200 -31.7284 45.4287 -1.3508 45.4291 -15.4729 -112.155 -1.35038 -112.153 -119.668 GPRESSURE: 3431200 3.26966 10.7586 45.0387 87.9707 -6.27027 -133.595 -9.34854 -74.0144 -69.0852 PRESSAVG: 3431200 -97.7015 16.1486 3.66314 16.1487 33.8505 42.3854 3.66324 42.3854 55.8893 GPRESSAVG: 3431200 -97.5797 15.8949 1.02016 17.2581 32.4157 39.7955 5.74118 46.6834 57.1961 TIMING: 3431200 CPU: 9960.54, 0.00290585/step Wall: 9960.54, 0.00290585/step, 1.2663 hours remaining, 206.113281 MB of memory in use. ENERGY: 3431200 751.8281 2068.4628 1966.9636 117.0877 -205875.6029 17642.3278 0.0000 0.0000 34274.7517 -149054.1813 299.3299 -183328.9330 -148960.6049 298.9266 -55.6232 -24.0286 558054.0134 -2.6539 -2.6560 PRESSURE: 3431400 -169.668 -178.228 -162.822 -178.227 148.312 -106.843 -162.82 -106.843 185.196 GPRESSURE: 3431400 -166.145 -65.9622 -176.896 -216.005 218.992 -164.25 -133.201 -49.5457 194.34 PRESSAVG: 3431400 -36.1625 6.18401 38.7384 6.18403 63.1937 -22.2601 38.7384 -22.26 -3.50117 GPRESSAVG: 3431400 -35.8147 6.95681 39.9137 5.27817 62.1857 -19.9718 36.6411 -27.4336 -3.42708 TIMING: 3431400 CPU: 9961.12, 0.00291212/step Wall: 9961.12, 0.00291212/step, 1.26887 hours remaining, 206.113281 MB of memory in use. ENERGY: 3431400 705.9844 2109.2253 1946.4428 110.4146 -206494.8714 18086.0025 0.0000 0.0000 34326.2153 -149210.5866 299.7794 -183536.8019 -149111.4568 298.8298 54.6131 82.3956 558967.4766 7.8433 7.6480 PRESSURE: 3431600 -5.46024 -104.331 -23.9695 -104.331 -183.728 114.125 -23.9716 114.125 152.844 GPRESSURE: 3431600 43.451 -125.44 -65.6198 -22.8266 -100.48 113.521 -32.5491 118.313 114.794 PRESSAVG: 3431600 81.3379 -36.8538 13.7062 -36.8538 -47.6184 -35.2968 13.7061 -35.2967 -50.9725 GPRESSAVG: 3431600 80.5914 -37.3183 13.2199 -36.9418 -45.8594 -35.9705 15.3895 -32.6769 -52.1823 TIMING: 3431600 CPU: 9961.7, 0.00291809/step Wall: 9961.7, 0.00291809/step, 1.27131 hours remaining, 206.113281 MB of memory in use. ENERGY: 3431600 760.8095 2063.9715 1951.2431 116.2468 -206291.4231 17955.1188 0.0000 0.0000 34027.5432 -149416.4902 297.1710 -183444.0335 -149324.3321 298.5236 -12.1149 19.2552 559421.8786 -5.7510 -5.8168 PRESSURE: 3431800 -136.997 0.651818 97.2663 0.65337 -390.8 20.1998 97.2675 20.1979 142.171 GPRESSURE: 3431800 -94.7508 -17.0341 124.592 -11.0418 -352.155 17.9885 99.2977 17.3322 149.29 PRESSAVG: 3431800 7.53007 -39.1782 -11.1423 -39.1782 -56.6077 4.77576 -11.1422 4.77576 9.2206 GPRESSAVG: 3431800 7.89713 -39.915 -11.0295 -38.4996 -58.284 4.30712 -10.9506 4.62406 10.3971 TIMING: 3431800 CPU: 9962.28, 0.00291599/step Wall: 9962.28, 0.00291599/step, 1.27024 hours remaining, 206.113281 MB of memory in use. ENERGY: 3431800 757.2086 2042.8018 1941.3150 127.3680 -206462.7279 17913.7521 0.0000 0.0000 34354.3229 -149325.9595 300.0248 -183680.2824 -149231.8408 298.7558 -128.5418 -99.2054 559852.1994 -13.2857 -13.3299 PRESSURE: 3432000 5.0513 91.6028 -114.414 91.6038 32.3951 56.5292 -114.416 56.5277 -131.219 GPRESSURE: 3432000 8.35162 173.544 -173.712 -25.6014 77.0473 116.829 -68.0673 63.5849 -72.5575 PRESSAVG: 3432000 -47.5126 36.5019 15.7965 36.5018 -72.0161 2.2573 15.7965 2.25733 80.6023 GPRESSAVG: 3432000 -48.9903 36.6144 15.028 36.3075 -69.6031 2.34 14.5969 2.66769 79.5637 TIMING: 3432000 CPU: 9962.87, 0.00291085/step Wall: 9962.87, 0.00291085/step, 1.26784 hours remaining, 206.113281 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: 3432000 768.1362 2090.1581 1936.8126 115.4446 -206248.9955 17748.5584 0.0000 0.0000 34334.4001 -149255.4855 299.8509 -183589.8856 -149160.6446 298.9479 -31.2575 4.2805 558344.9882 -12.9755 -13.0099 PRESSURE: 3432200 -40.72 96.7982 27.7735 96.7988 126.42 33.2718 27.7736 33.2714 159.176 GPRESSURE: 3432200 12.938 208.77 16.4203 116.05 160.892 34.6989 -29.4696 37.6859 167.373 PRESSAVG: 3432200 33.9754 71.377 24.5027 71.377 27.5569 17.9266 24.5027 17.9266 -79.0056 GPRESSAVG: 3432200 34.4068 70.9023 22.3855 71.8012 25.8813 17.5161 25.6145 17.7612 -77.7899 TIMING: 3432200 CPU: 9963.45, 0.00290136/step Wall: 9963.45, 0.00290136/step, 1.26354 hours remaining, 206.113281 MB of memory in use. ENERGY: 3432200 735.9175 2059.4575 1932.3495 124.5969 -206570.6242 18176.8154 0.0000 0.0000 34259.1362 -149282.3512 299.1936 -183541.4874 -149193.0052 299.5188 81.6251 113.7341 558285.4370 -5.8244 -5.8339 LDB: ============= START OF LOAD BALANCING ============== 9966.91 LDB: ============== END OF LOAD BALANCING =============== 9966.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9966.91 LDB: ============= START OF LOAD BALANCING ============== 9967.21 LDB: Largest compute 4819 load 0.029604 is 25.1% of average load 0.117834 LDB: Average compute 0.001705 is 1.4% of average load 0.117834 LDB: TIME 9967.21 LOAD: AVG 0.117834 MAX 0.181682 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 9967.21 LOAD: AVG 0.117834 MAX 0.181682 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 9967.21 LOAD: AVG 0.117834 MAX 0.181682 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9967.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9967.21 PRESSURE: 3432400 -153.114 73.4256 -19.2949 73.4268 140.212 45.0662 -19.2952 45.0671 -340.057 GPRESSURE: 3432400 -96.8339 43.6793 -67.0509 10.0041 214.242 175.074 69.1005 20.4694 -364.153 PRESSAVG: 3432400 -33.3489 56.7411 -22.2737 56.7411 46.243 2.45034 -22.2738 2.45037 -15.1813 GPRESSAVG: 3432400 -33.8119 56.5825 -20.017 55.7333 46.0588 3.69893 -24.1351 2.08803 -15.0356 TIMING: 3432400 CPU: 9964.04, 0.0029597/step Wall: 9964.04, 0.0029597/step, 1.28879 hours remaining, 208.199219 MB of memory in use. ENERGY: 3432400 772.4278 2084.3841 1941.0131 115.8498 -206847.0986 18091.4597 0.0000 0.0000 34439.7047 -149402.2593 300.7705 -183841.9640 -149304.7407 299.4584 -117.6530 -82.2484 560900.7350 -0.7624 -0.9296 PRESSURE: 3432600 5.64724 90.4347 -66.2654 90.4344 107.892 60.9596 -66.2648 60.9595 84.0477 GPRESSURE: 3432600 -20.663 178.613 -84.9137 80.1484 152.438 92.1622 -39.4913 24.5256 146.786 PRESSAVG: 3432600 -23.0236 38.3238 -45.5184 38.3238 18.584 42.8364 -45.5182 42.8363 -30.7534 GPRESSAVG: 3432600 -22.1963 39.7306 -45.1349 37.8391 18.5755 44.3599 -45.7124 44.5139 -31.7883 TIMING: 3432600 CPU: 9964.62, 0.00289923/step Wall: 9964.62, 0.00289923/step, 1.26229 hours remaining, 208.402344 MB of memory in use. ENERGY: 3432600 720.0547 2085.3306 1933.5925 112.3685 -206428.1422 18038.7206 0.0000 0.0000 34095.5852 -149442.4901 297.7652 -183538.0753 -149344.9173 299.0847 65.8622 92.8538 557333.0414 -11.7310 -11.8031 PRESSURE: 3432800 33.4809 -65.7831 20.3613 -65.7827 24.1525 -45.819 20.3623 -45.82 299.326 GPRESSURE: 3432800 111.49 -38.1664 83.5424 -121.287 31.6435 -52.624 13.1306 39.2364 304.468 PRESSAVG: 3432800 82.2478 48.1487 -3.44017 48.1488 -26.2956 -37.423 -3.44023 -37.423 -24.9631 GPRESSAVG: 3432800 82.3024 47.0323 -5.63596 49.0118 -26.306 -37.9279 -1.74532 -41.1413 -25.8186 TIMING: 3432800 CPU: 9965.2, 0.00290592/step Wall: 9965.2, 0.00290592/step, 1.26504 hours remaining, 208.402344 MB of memory in use. ENERGY: 3432800 716.1889 2051.8791 1980.6961 108.5380 -206931.6320 18235.6487 0.0000 0.0000 34483.6421 -149355.0392 301.1542 -183838.6813 -149253.7220 298.8006 118.9865 149.2007 558285.4249 10.3297 10.0593 PRESSURE: 3433000 -181.826 -69.1728 10.5442 -69.1724 -115.393 -67.737 10.5447 -67.7368 90.2028 GPRESSURE: 3433000 -159.371 -10.5272 39.9137 -57.3373 -81.1258 -16.4985 19.7212 -126.217 130.605 PRESSAVG: 3433000 30.1057 -1.79852 20.218 -1.7985 19.5075 -50.8001 20.218 -50.8001 -28.2941 GPRESSAVG: 3433000 28.6011 -3.50367 21.3395 -2.10125 20.0298 -50.8952 22.8127 -49.776 -27.4392 TIMING: 3433000 CPU: 9965.78, 0.00290406/step Wall: 9965.78, 0.00290406/step, 1.26407 hours remaining, 208.402344 MB of memory in use. ENERGY: 3433000 759.8695 2063.2330 1952.7097 120.1962 -206143.2326 17740.9977 0.0000 0.0000 34110.1502 -149396.0763 297.8924 -183506.2264 -149293.2631 299.0260 -69.0056 -36.6306 559142.3655 7.1064 7.0639 PRESSURE: 3433200 -268.377 219.889 -96.977 219.889 122.843 20.7538 -96.9779 20.7558 -44.965 GPRESSURE: 3433200 -197.747 151.452 -116.036 230.642 109.788 6.43304 -46.2701 -25.2978 -17.2404 PRESSAVG: 3433200 -53.1936 28.6079 16.2657 28.608 42.0823 -31.1359 16.2657 -31.1359 19.8083 GPRESSAVG: 3433200 -52.2691 30.698 18.0384 27.8206 41.136 -31.6238 12.7122 -30.7092 19.522 TIMING: 3433200 CPU: 9966.36, 0.0029044/step Wall: 9966.36, 0.0029044/step, 1.26406 hours remaining, 208.402344 MB of memory in use. ENERGY: 3433200 759.6659 2126.6522 1942.4181 117.7140 -206555.0181 17902.5650 0.0000 0.0000 34304.0747 -149401.9282 299.5860 -183706.0029 -149303.7950 298.5223 -63.4997 -35.0665 557424.8030 2.8990 2.7963 PRESSURE: 3433400 79.1703 79.833 -67.6666 79.8339 -227.545 -10.4681 -67.6675 -10.467 -90.2754 GPRESSURE: 3433400 132.387 -62.7749 -24.0085 158.18 -227.643 -5.8363 -45.8404 46.0598 -54.5306 PRESSAVG: 3433400 -13.7906 -2.76899 -12.8607 -2.76897 -5.4749 -80.4219 -12.8606 -80.422 48.0836 GPRESSAVG: 3433400 -12.9518 -1.9158 -11.7889 -2.93523 -5.85205 -80.7027 -12.3859 -77.9042 48.3022 TIMING: 3433400 CPU: 9966.95, 0.00292078/step Wall: 9966.95, 0.00292078/step, 1.27103 hours remaining, 208.531250 MB of memory in use. ENERGY: 3433400 736.2268 2123.4352 1966.8413 119.9863 -206559.4844 17862.4703 0.0000 0.0000 34215.6522 -149534.8724 298.8138 -183750.5246 -149434.7147 298.5654 -79.5502 -49.9290 557158.3492 9.6060 9.8328 PRESSURE: 3433600 17.6702 53.0239 157.309 53.0221 -166.698 -38.572 157.311 -38.5703 136.654 GPRESSURE: 3433600 14.19 81.8309 93.1891 62.1245 -147.412 -12.7616 198.508 -80.0561 201.859 PRESSAVG: 3433600 -15.818 19.4678 8.80292 19.4678 -15.4848 -10.5504 8.80304 -10.5504 42.608 GPRESSAVG: 3433600 -17.5225 19.2634 6.82142 21.3788 -15.0205 -9.20602 8.99665 -14.3847 43.3775 TIMING: 3433600 CPU: 9967.53, 0.00290708/step Wall: 9967.53, 0.00290708/step, 1.2649 hours remaining, 208.531250 MB of memory in use. ENERGY: 3433600 765.1472 2087.5880 1964.5392 113.1693 -206527.8600 17987.5133 0.0000 0.0000 34148.6268 -149461.2762 298.2285 -183609.9030 -149372.7896 298.6654 -4.1244 22.8791 557812.3799 3.7684 3.6115 PRESSURE: 3433800 -193.18 58.0583 -224.715 58.0562 -25.4078 68.4538 -224.716 68.4529 142.248 GPRESSURE: 3433800 -120.687 71.6496 -106.479 118.135 -41.9509 14.2605 -212.859 86.6448 178.482 PRESSAVG: 3433800 -64.5596 -31.4744 -17.1118 -31.4745 33.9173 -24.4027 -17.1119 -24.4027 8.48959 GPRESSAVG: 3433800 -63.6088 -32.6765 -18.1913 -33.6537 33.4093 -25.2368 -15.7648 -24.3309 8.2154 TIMING: 3433800 CPU: 9968.11, 0.00290458/step Wall: 9968.11, 0.00290458/step, 1.26365 hours remaining, 208.531250 MB of memory in use. ENERGY: 3433800 738.5967 2041.8855 1971.4966 108.1062 -205952.5857 17806.7762 0.0000 0.0000 34014.3859 -149271.3385 297.0561 -183285.7244 -149180.7430 298.6672 -25.4466 5.2813 558391.6385 -7.3842 -7.3280 PRESSURE: 3434000 195.037 -68.3791 176.703 -68.3799 20.4253 1.39708 176.704 1.39749 20.0412 GPRESSURE: 3434000 225.619 -110.084 170.753 -6.8173 21.365 102.693 146.836 21.6472 85.0191 PRESSAVG: 3434000 -28.6239 -4.20974 37.8157 -4.20978 -24.0209 56.7952 37.8159 56.7952 40.8124 GPRESSAVG: 3434000 -28.2237 -3.45338 38.7509 -3.99142 -23.4917 56.1118 35.5044 58.8915 40.6922 TIMING: 3434000 CPU: 9968.69, 0.00289915/step Wall: 9968.69, 0.00289915/step, 1.26113 hours remaining, 208.542969 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: 3434000 745.5987 2014.0356 1983.8484 115.1603 -206356.4588 17886.0342 0.0000 0.0000 34281.8167 -149329.9648 299.3916 -183611.7815 -149232.0123 298.7084 78.5012 110.6678 558365.6905 -3.9441 -3.6744 PRESSURE: 3434200 -304.917 -64.8828 133.726 -64.8823 133.384 -82.0419 133.725 -82.0448 -164.015 GPRESSURE: 3434200 -228.533 -74.0951 248.771 -89.6545 147.598 -56.0939 78.3709 -112.16 -161.5 PRESSAVG: 3434200 17.4114 -41.2979 52.9154 -41.2979 -39.4472 -20.9092 52.9154 -20.9093 -8.61532 GPRESSAVG: 3434200 18.3614 -42.2099 53.3458 -38.3429 -38.5036 -19.617 54.3071 -21.9092 -10.9849 TIMING: 3434200 CPU: 9969.27, 0.00291697/step Wall: 9969.27, 0.00291697/step, 1.26872 hours remaining, 208.542969 MB of memory in use. ENERGY: 3434200 726.4850 2103.6326 1961.3854 113.2568 -206051.9934 17601.6249 0.0000 0.0000 34298.6948 -149246.9139 299.5390 -183545.6087 -149155.5411 298.5909 -111.8496 -80.8117 558594.9282 -10.2170 -10.3757 PRESSURE: 3434400 90.4197 90.7772 -136.729 90.7778 494.794 2.79603 -136.73 2.7952 141.454 GPRESSURE: 3434400 154.953 69.7107 -144.628 64.5312 452.663 -10.1232 -160.605 -48.6554 195.189 PRESSAVG: 3434400 6.25178 1.04163 -33.2566 1.04159 11.5798 53.3437 -33.2565 53.3438 -51.095 GPRESSAVG: 3434400 5.51366 2.22863 -33.4649 -3.46705 10.7212 50.9937 -34.684 53.9733 -49.8821 TIMING: 3434400 CPU: 9969.85, 0.00290578/step Wall: 9969.85, 0.00290578/step, 1.26369 hours remaining, 208.542969 MB of memory in use. ENERGY: 3434400 735.6733 1999.2761 1965.3845 113.9937 -206709.8840 18275.8883 0.0000 0.0000 34430.2994 -149189.3686 300.6884 -183619.6681 -149090.1392 299.2630 242.2225 267.6018 556227.7381 -11.0878 -11.2157 PRESSURE: 3434600 -162.461 196.964 24.6804 196.965 107.08 37.7496 24.6808 37.7506 298.948 GPRESSURE: 3434600 -77.3112 246.599 144.191 181.916 116.922 17.5796 -68.0583 -5.85947 317.524 PRESSAVG: 3434600 -14.7411 42.2111 -2.24938 42.2111 4.04872 18.2874 -2.24933 18.2875 46.885 GPRESSAVG: 3434600 -15.3357 41.043 -2.93017 44.8134 3.89199 19.7599 -1.59733 18.5835 48.0113 TIMING: 3434600 CPU: 9970.43, 0.00288913/step Wall: 9970.43, 0.00288913/step, 1.25629 hours remaining, 208.542969 MB of memory in use. ENERGY: 3434600 725.5689 2103.7570 1946.9589 102.3700 -206323.0904 18047.1561 0.0000 0.0000 34298.3817 -149098.8978 299.5363 -183397.2795 -149005.4204 299.7500 81.1890 119.0450 557050.6494 12.0642 12.1892 PRESSURE: 3434800 -172.889 -11.4678 -264.082 -11.468 28.5784 120.625 -264.081 120.623 -188.837 GPRESSURE: 3434800 -120.865 -108.503 -197.66 -17.2909 67.5355 137.323 -309.833 130.368 -186.233 PRESSAVG: 3434800 9.88433 8.21003 -17.2541 8.21013 -2.27097 -8.11778 -17.2542 -8.11784 17.9169 GPRESSAVG: 3434800 9.30228 6.1537 -16.9029 9.22531 -0.513415 -7.7857 -17.8117 -5.94253 16.8215 TIMING: 3434800 CPU: 9971.01, 0.00289772/step Wall: 9971.01, 0.00289772/step, 1.25986 hours remaining, 208.542969 MB of memory in use. ENERGY: 3434800 748.3501 2130.6843 1957.8946 115.2638 -205897.0927 17590.4040 0.0000 0.0000 34186.2390 -149168.2569 298.5569 -183354.4959 -149076.1036 299.2494 -111.0494 -79.8543 557844.9064 8.5101 8.5368 PRESSURE: 3435000 28.6552 116.912 17.2048 116.912 -13.4312 -1.92128 17.2034 -1.92096 -96.7706 GPRESSURE: 3435000 49.2406 187.492 98.109 60.2448 81.7191 -3.91947 -35.3069 31.6184 -115.165 PRESSAVG: 3435000 -13.8064 17.0355 37.8809 17.0355 1.06087 -50.2383 37.8809 -50.2382 -3.78345 GPRESSAVG: 3435000 -12.3971 19.393 38.1343 15.7055 -0.464157 -50.163 38.4449 -52.9587 -3.80659 TIMING: 3435000 CPU: 9971.59, 0.00291843/step Wall: 9971.59, 0.00291843/step, 1.26871 hours remaining, 208.542969 MB of memory in use. ENERGY: 3435000 697.1742 2091.6139 1958.4438 110.5766 -205826.7717 17658.7451 0.0000 0.0000 34160.0692 -149150.1489 298.3284 -183310.2181 -149053.7857 298.9964 -27.1822 5.2650 558112.1682 -5.5096 -5.5560 PRESSURE: 3435200 49.6 38.202 113.734 38.2023 -282.945 -51.9046 113.734 -51.9042 -221.3 GPRESSURE: 3435200 94.3505 22.203 124.2 8.49252 -246.264 -3.68623 83.7012 -32.8353 -196.941 PRESSAVG: 3435200 73.3683 1.08162 33.5932 1.0817 -46.9896 -55.3436 33.5931 -55.3435 -27.59 GPRESSAVG: 3435200 72.9914 0.990434 32.3489 -1.37101 -47.2984 -55.9474 34.9415 -55.1336 -26.4752 TIMING: 3435200 CPU: 9972.18, 0.0029307/step Wall: 9972.18, 0.0029307/step, 1.27388 hours remaining, 208.542969 MB of memory in use. ENERGY: 3435200 748.2750 2102.8372 1948.7421 104.2150 -205772.1630 17453.5240 0.0000 0.0000 34260.1744 -149154.3953 299.2026 -183414.5696 -149058.9257 299.2607 -151.5482 -116.2848 557730.3826 -0.4038 -0.2608 PRESSURE: 3435400 252.511 -100.89 16.3078 -100.891 144.892 70.8573 16.3081 70.8574 -8.81896 GPRESSURE: 3435400 298.064 -97.4896 92.5029 -92.5963 193.398 80.8572 -12.9706 63.4212 2.00156 PRESSAVG: 3435400 15.3001 37.1524 37.1417 37.1525 -16.9661 -22.5354 37.1417 -22.5354 33.6102 GPRESSAVG: 3435400 15.1158 37.2106 37.506 39.4171 -16.2331 -25.5247 36.0088 -19.9393 33.4289 TIMING: 3435400 CPU: 9972.77, 0.00293951/step Wall: 9972.77, 0.00293951/step, 1.27755 hours remaining, 208.542969 MB of memory in use. ENERGY: 3435400 724.9115 2080.4414 1953.2874 114.0202 -206412.2499 18079.0516 0.0000 0.0000 34429.0234 -149031.5143 300.6772 -183460.5376 -148942.6524 299.8875 129.5279 164.4877 557755.8800 10.6481 10.7705 PRESSURE: 3435600 -145.3 10.7892 13.0303 10.7904 -94.1614 21.9605 13.0296 21.9591 -130.088 GPRESSURE: 3435600 -146.645 38.2969 15.7322 60.5631 -78.5128 3.34082 2.41196 13.013 -64.1896 PRESSAVG: 3435600 -4.05771 -49.4768 25.4531 -49.4769 17.4626 -23.2309 25.4531 -23.231 -24.4074 GPRESSAVG: 3435600 -3.67788 -49.9412 25.2231 -49.288 17.2759 -20.6467 26.2919 -25.3236 -24.5856 TIMING: 3435600 CPU: 9973.35, 0.00293364/step Wall: 9973.35, 0.00293364/step, 1.27483 hours remaining, 208.542969 MB of memory in use. ENERGY: 3435600 777.6486 2147.8998 1955.5827 122.4083 -206322.3559 17853.2110 0.0000 0.0000 34565.6710 -148899.9345 301.8706 -183465.6055 -148804.9311 300.2854 -123.1832 -96.4491 557348.9580 -3.6675 -3.6625 PRESSURE: 3435800 318.418 101.752 16.3195 101.752 42.3844 133.663 16.3199 133.662 -35.8252 GPRESSURE: 3435800 292.04 213.143 45.791 83.6471 72.869 107.866 29.2773 140.046 70.8304 PRESSAVG: 3435800 37.4818 32.0574 -5.92745 32.0575 -10.7868 -43.1979 -5.92746 -43.1978 -4.32884 GPRESSAVG: 3435800 37.9202 33.0552 -5.52233 31.5712 -11.4639 -42.1023 -7.52044 -43.1608 -3.75824 TIMING: 3435800 CPU: 9973.94, 0.00292848/step Wall: 9973.94, 0.00292848/step, 1.27243 hours remaining, 208.542969 MB of memory in use. ENERGY: 3435800 734.4119 2095.8767 1944.9531 118.5288 -206385.1887 18053.4555 0.0000 0.0000 34566.2392 -148871.7236 301.8756 -183437.9628 -148775.9325 300.1306 108.3259 145.2465 557965.0422 7.4554 7.5660 PRESSURE: 3436000 243.275 33.0481 27.6562 33.0473 -84.656 107.501 27.6568 107.502 23.5086 GPRESSURE: 3436000 231.945 -68.4055 89.0367 148.47 -31.5663 165.921 -63.291 138.785 76.1077 PRESSAVG: 3436000 47.3158 26.1879 28.104 26.188 31.6106 12.2403 28.104 12.2403 -64.8481 GPRESSAVG: 3436000 47.2606 26.93 27.3714 25.0918 31.7194 11.0209 27.5094 11.3581 -64.9432 TIMING: 3436000 CPU: 9974.52, 0.00290645/step Wall: 9974.52, 0.00290645/step, 1.26269 hours remaining, 208.542969 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: 3436000 729.8923 2089.5800 1993.7951 110.9832 -205836.6665 17660.0107 0.0000 0.0000 34459.9011 -148792.5041 300.9469 -183252.4051 -148702.4610 300.6875 60.7092 92.1620 556284.9743 4.6927 4.6789 PRESSURE: 3436200 -5.44261 10.0138 -4.15948 10.0129 195.458 147.508 -4.15931 147.507 229.32 GPRESSURE: 3436200 -26.9068 23.2973 -75.3179 76.2472 261.344 152.358 44.7544 77.8316 271.381 PRESSAVG: 3436200 32.4501 -11.6626 -63.1957 -11.6626 -32.5798 37.4078 -63.1956 37.4077 -9.2315 GPRESSAVG: 3436200 32.2596 -13.2571 -62.7342 -9.22913 -32.6128 38.1066 -61.3412 37.698 -9.23902 TIMING: 3436200 CPU: 9975.1, 0.00290944/step Wall: 9975.1, 0.00290944/step, 1.26383 hours remaining, 208.542969 MB of memory in use. ENERGY: 3436200 718.8961 2106.9047 1952.3786 120.8191 -206121.7809 17969.4622 0.0000 0.0000 34427.8758 -148825.4445 300.6672 -183253.3203 -148725.7482 300.5053 139.7786 168.6061 558673.3951 -3.1204 -3.1974 LDB: ============= START OF LOAD BALANCING ============== 9978.57 LDB: ============== END OF LOAD BALANCING =============== 9978.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9978.57 LDB: ============= START OF LOAD BALANCING ============== 9978.86 LDB: Largest compute 4820 load 0.031877 is 27.0% of average load 0.117936 LDB: Average compute 0.001711 is 1.5% of average load 0.117936 LDB: TIME 9978.86 LOAD: AVG 0.117936 MAX 0.17775 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.945 MB LDB: TIME 9978.86 LOAD: AVG 0.117936 MAX 0.17775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: TIME 9978.86 LOAD: AVG 0.117936 MAX 0.17775 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.016 MB LDB: ============== END OF LOAD BALANCING =============== 9978.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9978.87 PRESSURE: 3436400 26.4053 34.2682 66.747 34.2677 -138.473 185.664 66.749 185.665 -112.565 GPRESSURE: 3436400 21.3166 2.91629 -21.9687 59.8178 -54.4414 185.77 85.9915 138.92 -89.0909 PRESSAVG: 3436400 39.0712 41.4172 -16.045 41.4171 10.297 56.4278 -16.045 56.4279 -35.8787 GPRESSAVG: 3436400 39.7832 40.7089 -16.0279 40.2407 9.31288 56.3199 -17.2092 55.8411 -35.9375 TIMING: 3436400 CPU: 9975.69, 0.00294441/step Wall: 9975.69, 0.00294441/step, 1.27886 hours remaining, 206.144531 MB of memory in use. ENERGY: 3436400 723.1615 2122.3056 1968.4931 113.3519 -205665.1787 17560.7911 0.0000 0.0000 34291.3076 -148885.7679 299.4745 -183177.0755 -148785.8765 299.4031 -74.8776 -40.7386 559167.8343 4.4965 4.3862 PRESSURE: 3436600 -404.15 -43.7395 90.0056 -43.7395 -123.75 4.5828 90.0057 4.58279 -170.539 GPRESSURE: 3436600 -418.799 -10.628 128.512 12.2373 -77.3831 -28.8334 7.25663 5.58817 -105.613 PRESSAVG: 3436600 -9.35877 55.3703 -31.9245 55.3703 -6.06982 -0.350503 -31.9245 -0.350492 -2.11315 GPRESSAVG: 3436600 -9.39929 56.9936 -31.2925 55.397 -3.53026 0.972318 -31.4305 -0.362144 -4.27294 TIMING: 3436600 CPU: 9976.27, 0.00290345/step Wall: 9976.27, 0.00290345/step, 1.2609 hours remaining, 206.144531 MB of memory in use. ENERGY: 3436600 737.5218 2036.5676 1978.9208 113.1840 -206012.5972 17520.9296 0.0000 0.0000 34453.2268 -149172.2466 300.8886 -183625.4734 -149076.6620 299.4581 -232.8132 -200.5984 558617.3811 -5.8472 -5.7342 PRESSURE: 3436800 -195.697 -19.9188 -1.74104 -19.9194 11.3741 80.8168 -1.74063 80.8164 -186.805 GPRESSURE: 3436800 -160.639 -23.3163 -31.6389 -86.0938 41.3688 47.1226 42.4737 65.5439 -162.669 PRESSAVG: 3436800 19.4625 0.692867 -27.5276 0.692845 17.0113 10.7183 -27.5276 10.7182 -18.3662 GPRESSAVG: 3436800 17.9268 -0.889278 -28.4801 0.790711 15.6856 9.54246 -27.5602 10.8527 -15.7724 TIMING: 3436800 CPU: 9976.86, 0.00294976/step Wall: 9976.86, 0.00294976/step, 1.28085 hours remaining, 206.144531 MB of memory in use. ENERGY: 3436800 719.1352 2129.9208 1971.5085 102.2269 -206087.6936 17670.3981 0.0000 0.0000 34323.4518 -149171.0523 299.7552 -183494.5042 -149069.9774 298.8605 -123.7094 -93.9794 557660.8618 6.0359 5.9466 PRESSURE: 3437000 -316.072 171.746 -11.8446 171.747 66.565 26.0162 -11.8444 26.0154 158.33 GPRESSURE: 3437000 -262.923 142.063 -143.854 146.614 109.273 -38.7637 69.5315 2.04998 161.26 PRESSAVG: 3437000 -48.0294 15.6974 -31.3928 15.6975 -7.45883 -36.6278 -31.3928 -36.6278 35.7423 GPRESSAVG: 3437000 -45.7963 14.4952 -32.3676 16.8947 -7.46763 -38.5741 -30.8668 -34.9305 33.8879 TIMING: 3437000 CPU: 9977.45, 0.00291845/step Wall: 9977.45, 0.00291845/step, 1.26709 hours remaining, 206.144531 MB of memory in use. ENERGY: 3437000 734.2495 2113.3913 1973.7033 108.1524 -206290.5824 17827.7376 0.0000 0.0000 34321.3280 -149212.0203 299.7367 -183533.3483 -149107.7844 298.5374 -30.3925 2.5365 558464.8438 -6.5820 -6.4587 PRESSURE: 3437200 -34.4325 44.988 154.489 44.9874 -184.31 -55.5955 154.488 -55.5956 -9.84983 GPRESSURE: 3437200 22.1879 91.3607 93.9573 -8.20357 -183.352 -38.25 184.299 -116.029 27.4329 PRESSAVG: 3437200 44.1456 71.7897 -8.45348 71.7897 9.41393 -57.3316 -8.45351 -57.3316 -27.2124 GPRESSAVG: 3437200 43.7626 74.4652 -6.99522 69.7062 9.10046 -54.1114 -9.35776 -60.4353 -26.2343 TIMING: 3437200 CPU: 9978.03, 0.00289731/step Wall: 9978.03, 0.00289731/step, 1.25776 hours remaining, 206.144531 MB of memory in use. ENERGY: 3437200 703.1149 2025.4118 1979.1261 129.1490 -206075.7769 17723.8801 0.0000 0.0000 34386.6078 -149128.4871 300.3068 -183515.0950 -149031.3708 299.4621 -76.1974 -44.5769 558778.3258 8.7824 8.8762 PRESSURE: 3437400 89.5379 -55.4718 39.1136 -55.4711 -412.512 137.905 39.1133 137.904 -242.395 GPRESSURE: 3437400 104.729 -50.5851 -0.408123 -82.5798 -366.202 124.387 93.2509 98.9954 -210.653 PRESSAVG: 3437400 -30.2299 42.7546 13.6901 42.7546 26.5662 6.81789 13.6901 6.81802 -4.91208 GPRESSAVG: 3437400 -29.7125 42.147 14.6407 43.8138 25.5125 7.27162 11.824 7.31319 -4.49893 TIMING: 3437400 CPU: 9978.61, 0.00291908/step Wall: 9978.61, 0.00291908/step, 1.26704 hours remaining, 206.144531 MB of memory in use. ENERGY: 3437400 772.4760 2094.3550 1961.0065 122.4864 -205882.1450 17580.4274 0.0000 0.0000 34255.3834 -149096.0103 299.1608 -183351.3937 -149002.1180 299.2860 -188.4563 -157.3754 559391.2898 -2.8586 -2.8997 PRESSURE: 3437600 -15.4136 -266.023 31.4479 -266.023 -116.933 46.7016 31.4468 46.7025 -324.327 GPRESSURE: 3437600 -25.7296 -218.193 21.9536 -261.339 -62.015 45.0808 30.1587 53.7262 -278.323 PRESSAVG: 3437600 31.0039 -32.997 8.18511 -32.997 -3.88573 -22.5916 8.1851 -22.5916 -27.203 GPRESSAVG: 3437600 30.9645 -33.3565 7.63169 -33.0994 -2.72467 -25.0264 10.0471 -21.3614 -27.5731 TIMING: 3437600 CPU: 9979.19, 0.00289404/step Wall: 9979.19, 0.00289404/step, 1.25601 hours remaining, 206.144531 MB of memory in use. ENERGY: 3437600 707.3646 2082.4987 1962.1996 115.5419 -205901.5998 17549.3097 0.0000 0.0000 34254.3923 -149230.2929 299.1521 -183484.6852 -149133.3138 298.8355 -152.2243 -122.0226 558977.2456 -0.0283 0.2223 PRESSURE: 3437800 -78.6998 162.087 -11.2893 162.088 206.277 84.1756 -11.2889 84.1739 194.004 GPRESSURE: 3437800 -70.6232 142.734 -33.338 240.534 238.847 130.913 -86.4113 -8.03104 250.795 PRESSAVG: 3437800 -7.42771 30.5125 3.27004 30.5125 12.7664 48.632 3.27002 48.6319 -29.6348 GPRESSAVG: 3437800 -7.48205 32.9147 4.89731 29.417 13.4181 50.5312 1.41225 48.4128 -31.1449 TIMING: 3437800 CPU: 9979.77, 0.00290641/step Wall: 9979.77, 0.00290641/step, 1.26122 hours remaining, 206.144531 MB of memory in use. ENERGY: 3437800 749.3833 2073.6837 1943.5335 115.1979 -206590.8692 18172.6207 0.0000 0.0000 34377.8206 -149158.6297 300.2301 -183536.4503 -149067.5544 299.5204 107.1937 139.6730 558001.3853 -8.0987 -8.4030 PRESSURE: 3438000 25.8973 85.3235 -92.0264 85.3231 -1.56252 -214.992 -92.0269 -214.991 -315.509 GPRESSURE: 3438000 59.6324 79.1652 -102.167 118.745 45.036 -136.685 -78.1486 -283.382 -291.52 PRESSAVG: 3438000 8.20989 25.3921 44.7043 25.3921 4.26463 -41.0475 44.7044 -41.0474 -0.43441 GPRESSAVG: 3438000 8.22567 23.7582 43.1372 25.9562 3.52186 -44.026 45.4052 -38.7411 -0.457496 TIMING: 3438000 CPU: 9980.35, 0.00291651/step Wall: 9980.35, 0.00291651/step, 1.26544 hours remaining, 206.144531 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: 3438000 767.8114 2084.1753 1949.7779 111.9128 -205952.9099 17707.1420 0.0000 0.0000 34140.4733 -149191.6171 298.1572 -183332.0905 -149105.9621 299.4648 -97.0582 -62.2840 557341.8474 4.0134 3.7633 PRESSURE: 3438200 -70.328 74.6416 -88.996 74.6425 -180.632 -124.199 -88.9972 -124.198 -123.879 GPRESSURE: 3438200 -39.4424 73.5458 -93.5572 89.107 -150.633 -70.7672 -85.5866 -126.902 -97.2105 PRESSAVG: 3438200 41.1677 0.641708 -24.0517 0.641685 6.59909 -23.8653 -24.0517 -23.8653 -24.2362 GPRESSAVG: 3438200 40.5866 0.767007 -23.1484 -0.455674 6.24806 -23.2768 -22.5317 -24.828 -23.374 TIMING: 3438200 CPU: 9980.93, 0.00290799/step Wall: 9980.93, 0.00290799/step, 1.26158 hours remaining, 206.679688 MB of memory in use. ENERGY: 3438200 781.2935 2076.8480 1952.8958 102.2946 -206223.8663 17749.2776 0.0000 0.0000 34366.6340 -149194.6229 300.1324 -183561.2568 -149100.3151 299.4104 -124.9464 -95.7619 558519.9785 7.8435 7.8202 PRESSURE: 3438400 -116.107 -0.962986 -79.0115 -0.962811 -198.505 -101.459 -79.0121 -101.458 -144.541 GPRESSURE: 3438400 -73.8683 -11.3583 -56.1777 -9.70657 -224.102 -65.5443 -63.1593 -94.849 -64.9704 PRESSAVG: 3438400 59.8114 -20.0889 -9.47405 -20.0889 -36.0928 -53.9434 -9.47406 -53.9434 41.1722 GPRESSAVG: 3438400 60.4909 -20.5435 -10.6128 -17.3966 -36.5757 -50.3497 -11.2341 -56.4949 41.0043 TIMING: 3438400 CPU: 9981.51, 0.00289772/step Wall: 9981.51, 0.00289772/step, 1.25697 hours remaining, 206.679688 MB of memory in use. ENERGY: 3438400 744.7898 2073.7434 1961.8192 123.8868 -205988.3891 17602.8100 0.0000 0.0000 34617.6843 -148863.6557 302.3248 -183481.3400 -148766.7021 300.0189 -153.0508 -120.9801 558559.5698 21.6303 21.6398 PRESSURE: 3438600 158.216 19.5756 -61.5139 19.5766 -56.0185 74.3427 -61.5147 74.3418 -193.183 GPRESSURE: 3438600 217.969 18.494 -164.349 -3.61901 -23.5571 107.108 -52.9252 38.4632 -179.155 PRESSAVG: 3438600 26.5319 0.426984 4.96532 0.42702 -42.1941 -33.2663 4.96524 -33.2663 65.5936 GPRESSAVG: 3438600 25.925 1.59734 5.2359 -1.1246 -40.9462 -35.6003 5.51619 -30.3787 65.1785 TIMING: 3438600 CPU: 9982.1, 0.00294664/step Wall: 9982.1, 0.00294664/step, 1.27802 hours remaining, 206.679688 MB of memory in use. ENERGY: 3438600 763.4709 2063.2443 1963.2967 107.6510 -205914.3002 17717.4699 0.0000 0.0000 34306.8512 -148992.3163 299.6103 -183299.1675 -148901.6254 300.5265 -30.3284 5.0854 557823.0786 16.6438 16.7191 PRESSURE: 3438800 -304.636 9.66439 66.2521 9.66442 -108.026 -26.3262 66.2534 -26.3274 -394.432 GPRESSURE: 3438800 -248.453 59.7246 37.1236 -62.2048 -98.3688 7.94647 91.9623 -31.5018 -370.509 PRESSAVG: 3438800 36.9656 11.9698 -38.7361 11.9698 -6.35046 -1.22175 -38.736 -1.22182 -14.6521 GPRESSAVG: 3438800 36.9358 10.8318 -39.671 12.25 -7.02539 -3.02489 -38.5359 -1.21775 -13.9788 TIMING: 3438800 CPU: 9982.69, 0.00292142/step Wall: 9982.69, 0.00292142/step, 1.26692 hours remaining, 206.679688 MB of memory in use. ENERGY: 3438800 782.8872 2059.0020 1953.4869 112.6412 -206032.5719 17532.0931 0.0000 0.0000 34312.0879 -149280.3737 299.6560 -183592.4615 -149174.9647 299.1564 -269.0310 -239.1102 557840.1118 5.3210 5.3105 PRESSURE: 3439000 9.86962 -49.5876 105.215 -49.5886 -1.45956 -105.956 105.214 -105.956 61.5932 GPRESSURE: 3439000 86.6146 -35.0912 108.267 13.8907 4.22905 -133.565 105.11 -155.205 71.5087 PRESSAVG: 3439000 -4.71696 -26.688 14.2346 -26.6882 -12.8444 -37.3865 14.2345 -37.3864 13.7832 GPRESSAVG: 3439000 -4.75436 -26.0265 12.688 -26.8459 -13.5119 -35.7803 14.327 -38.647 13.8719 TIMING: 3439000 CPU: 9983.26, 0.00287947/step Wall: 9983.26, 0.00287947/step, 1.24857 hours remaining, 206.679688 MB of memory in use. ENERGY: 3439000 732.2896 2146.8518 1929.5421 112.2499 -206416.2091 17772.9037 0.0000 0.0000 34255.7176 -149466.6543 299.1637 -183722.3720 -149371.3125 298.9231 23.3344 54.1175 556706.8650 -1.2594 -1.4648 PRESSURE: 3439200 64.8526 -55.6427 -58.5542 -55.6416 -65.6592 83.1008 -58.5537 83.0998 -75.0821 GPRESSURE: 3439200 93.1934 -55.3414 -52.0418 -48.2429 -27.7953 61.9827 -49.0491 56.122 -50.4724 PRESSAVG: 3439200 11.7533 6.13285 32.8003 6.13285 10.9132 -0.171256 32.8004 -0.171282 -39.6673 GPRESSAVG: 3439200 11.4055 5.90284 33.2174 6.62454 12.1578 -0.341524 32.1157 1.11846 -39.8588 TIMING: 3439200 CPU: 9983.85, 0.00291893/step Wall: 9983.85, 0.00291893/step, 1.26552 hours remaining, 206.679688 MB of memory in use. ENERGY: 3439200 757.4815 2085.4559 1955.0380 109.9748 -206378.6775 17761.4932 0.0000 0.0000 34218.7562 -149490.4779 298.8409 -183709.2341 -149397.3563 298.3940 -25.2962 4.9752 556570.9027 -5.6669 -5.4318 PRESSURE: 3439400 165.754 -97.978 87.5779 -97.9772 301.306 -18.3805 87.578 -18.381 -76.3236 GPRESSURE: 3439400 141.094 -104.797 111.835 -140.048 423.427 12.6941 94.0675 -35.2254 -77.0697 PRESSAVG: 3439400 -2.23681 -31.6154 49.6835 -31.6154 14.2413 69.92 49.6834 69.92 -27.9045 GPRESSAVG: 3439400 -2.72858 -30.4667 50.4024 -31.2103 13.5074 68.8886 50.6659 68.2953 -27.1199 TIMING: 3439400 CPU: 9984.43, 0.00292029/step Wall: 9984.43, 0.00292029/step, 1.26594 hours remaining, 206.679688 MB of memory in use. ENERGY: 3439400 709.8637 2076.6133 1949.9569 120.3639 -206369.0673 17799.5868 0.0000 0.0000 34251.8247 -149460.8580 299.1297 -183712.6827 -149363.4355 298.9062 130.2454 162.4838 555075.3100 -5.3000 -5.4470 PRESSURE: 3439600 -383.855 161.241 -13.7238 161.242 48.7379 -105.184 -13.7232 -105.184 -301.041 GPRESSURE: 3439600 -323.33 171.657 -79.9488 132.437 79.6894 -30.8236 12.2051 -88.4745 -297.492 PRESSAVG: 3439600 9.21093 -4.91723 31.7876 -4.91735 51.5227 5.46122 31.7876 5.46129 -25.0293 GPRESSAVG: 3439600 11.2337 -6.762 31.1849 -6.93656 51.3031 5.75691 31.371 7.36111 -27.2145 TIMING: 3439600 CPU: 9985.02, 0.00293115/step Wall: 9985.02, 0.00293115/step, 1.27049 hours remaining, 206.679688 MB of memory in use. ENERGY: 3439600 728.1768 2095.8382 1947.9365 96.3757 -206152.4413 17483.2540 0.0000 0.0000 34331.9498 -149468.9103 299.8295 -183800.8601 -149371.0198 299.1565 -212.0528 -180.3774 555891.0951 11.9014 11.7741 PRESSURE: 3439800 211.337 179.333 -251.076 179.333 52.828 -55.0468 -251.077 -55.0469 -67.7763 GPRESSURE: 3439800 207.677 109.024 -190.914 133.878 67.4596 -85.6526 -267.15 -6.79464 27.0269 PRESSAVG: 3439800 -4.06618 -6.25121 17.7659 -6.25118 16.5873 -66.5682 17.766 -66.5683 -15.1863 GPRESSAVG: 3439800 -4.78882 -6.14249 20.8831 -4.89264 16.2146 -64.2136 17.2224 -68.0128 -14.4544 TIMING: 3439800 CPU: 9985.6, 0.00289378/step Wall: 9985.6, 0.00289378/step, 1.25413 hours remaining, 206.679688 MB of memory in use. ENERGY: 3439800 734.1168 2093.3442 1972.8175 101.7652 -206532.6692 17918.7114 0.0000 0.0000 34229.5700 -149482.3440 298.9353 -183711.9140 -149388.6913 299.2223 65.4628 100.7212 555642.7317 -0.8884 -1.0095 PRESSURE: 3440000 -282.014 28.5596 78.9484 28.5601 16.3227 -152.111 78.9483 -152.11 -195.579 GPRESSURE: 3440000 -228.056 59.0795 75.4786 -52.0627 39.7859 -151.75 41.1397 -169.892 -163.613 PRESSAVG: 3440000 -19.2756 -13.0654 2.07814 -13.0654 57.4715 4.91113 2.07811 4.91116 -63.5412 GPRESSAVG: 3440000 -20.2876 -13.8942 1.48058 -11.4243 58.4244 1.92476 1.57741 4.18583 -63.0262 TIMING: 3440000 CPU: 9986.18, 0.00290266/step Wall: 9986.18, 0.00290267/step, 1.25782 hours remaining, 206.679688 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: 3440000 735.5023 2109.6233 1959.8506 101.7156 -206093.1178 17682.6157 0.0000 0.0000 34265.0292 -149238.7811 299.2450 -183503.8103 -149137.2985 299.3485 -153.7570 -117.2945 558682.3252 -8.4484 -8.2964 PRESSURE: 3440200 -113.926 -66.9389 -22.1069 -66.9392 -183.567 -118.446 -22.105 -118.446 -43.4382 GPRESSURE: 3440200 -126.156 -5.83058 -163.261 -19.1175 -95.7601 -192.93 39.6269 -53.8809 -13.7932 PRESSAVG: 3440200 0.398607 -12.8116 11.8546 -12.8115 -14.1088 -63.0959 11.8545 -63.0959 -12.279 GPRESSAVG: 3440200 0.746086 -11.576 10.2507 -13.3798 -14.5283 -62.7012 13.1446 -62.8097 -12.449 TIMING: 3440200 CPU: 9986.76, 0.00290172/step Wall: 9986.76, 0.00290172/step, 1.25725 hours remaining, 206.679688 MB of memory in use. ENERGY: 3440200 742.2194 2093.6900 1953.7797 110.1374 -206332.1458 17796.1848 0.0000 0.0000 34313.4526 -149322.6819 299.6679 -183636.1345 -149234.4029 298.9437 -113.6438 -78.5698 558091.0328 -8.6631 -8.7437 LDB: ============= START OF LOAD BALANCING ============== 9990.22 LDB: ============== END OF LOAD BALANCING =============== 9990.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9990.22 LDB: ============= START OF LOAD BALANCING ============== 9990.51 LDB: Largest compute 4819 load 0.030199 is 25.6% of average load 0.117852 LDB: Average compute 0.001710 is 1.5% of average load 0.117852 LDB: TIME 9990.52 LOAD: AVG 0.117852 MAX 0.176824 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 9990.52 LOAD: AVG 0.117852 MAX 0.176824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: TIME 9990.52 LOAD: AVG 0.117852 MAX 0.176824 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.891 MB LDB: ============== END OF LOAD BALANCING =============== 9990.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9990.52 PRESSURE: 3440400 -80.9158 133.779 17.8123 133.779 -123.938 258.12 17.8131 258.12 97.9127 GPRESSURE: 3440400 -2.16395 178.08 61.089 80.4028 -104.143 229.607 0.759094 182.902 93.5458 PRESSAVG: 3440400 -9.08384 -54.3418 7.90161 -54.3418 -43.8882 -58.0411 7.90165 -58.041 87.6357 GPRESSAVG: 3440400 -7.41228 -52.1207 9.24365 -56.7291 -43.9666 -56.9581 7.48064 -58.3903 86.5285 TIMING: 3440400 CPU: 9987.35, 0.00294848/step Wall: 9987.35, 0.00294848/step, 1.27735 hours remaining, 207.039062 MB of memory in use. ENERGY: 3440400 773.4741 2092.6433 1942.8297 115.4075 -206226.4562 17763.7828 0.0000 0.0000 34317.2072 -149221.1116 299.7007 -183538.3188 -149126.9828 299.2801 -35.6472 -4.2537 557462.7551 11.5545 11.7166 PRESSURE: 3440600 211.157 -63.8782 113.575 -63.8782 -35.9535 -5.78491 113.575 -5.7828 5.71543 GPRESSURE: 3440600 153.441 -99.6427 143.442 -112.478 -1.09372 105.905 58.6955 -39.2754 127.977 PRESSAVG: 3440600 4.60651 -26.9068 37.6274 -26.9069 -57.1549 20.4338 37.6273 20.4339 16.175 GPRESSAVG: 3440600 2.48047 -30.1859 36.3941 -25.8568 -56.5338 18.7734 35.3477 22.7314 18.156 TIMING: 3440600 CPU: 9987.93, 0.00289736/step Wall: 9987.93, 0.00289736/step, 1.25504 hours remaining, 207.242188 MB of memory in use. ENERGY: 3440600 763.0331 2062.7737 1972.2948 111.8092 -206435.3623 18058.9198 0.0000 0.0000 34279.3001 -149187.2317 299.3697 -183466.5318 -149091.7755 299.3341 60.3063 93.4414 557804.1292 -12.1245 -11.9658 PRESSURE: 3440800 -28.4483 87.3368 169.15 87.3378 172.268 -37.8724 169.149 -37.871 -193.75 GPRESSURE: 3440800 2.33722 5.14036 219.97 188.51 252.02 -3.21702 102.304 -56.5378 -214.523 PRESSAVG: 3440800 36.6131 7.36601 31.6139 7.36598 -55.9544 17.6172 31.614 17.6173 20.3937 GPRESSAVG: 3440800 37.817 9.08029 33.7997 6.47439 -56.1399 18.829 32.9874 16.2521 20.0525 TIMING: 3440800 CPU: 9988.51, 0.00291673/step Wall: 9988.51, 0.00291673/step, 1.26327 hours remaining, 207.445312 MB of memory in use. ENERGY: 3440800 764.7524 2059.8630 1955.8401 112.7193 -206480.1894 17853.7815 0.0000 0.0000 34523.9316 -149209.3017 301.5061 -183733.2333 -149107.6709 299.3376 -16.6433 13.2782 556548.6387 0.3508 0.5765 PRESSURE: 3441000 184.516 -28.3003 150.886 -28.3005 14.0164 -39.1197 150.886 -39.1199 -153.669 GPRESSURE: 3441000 205.23 10.3485 154.411 -84.2283 16.5455 -83.3604 181.506 -65.5909 -71.7193 PRESSAVG: 3441000 -14.6511 49.2871 -3.73963 49.287 62.7962 -18.5622 -3.73967 -18.5622 -9.71789 GPRESSAVG: 3441000 -14.4656 51.4745 -5.22366 47.0463 62.0526 -19.4883 -4.13104 -19.0301 -8.89237 TIMING: 3441000 CPU: 9989.09, 0.00290067/step Wall: 9989.09, 0.00290067/step, 1.25615 hours remaining, 207.445312 MB of memory in use. ENERGY: 3441000 749.4829 2142.5802 1955.1530 108.3981 -206099.0881 17847.8861 0.0000 0.0000 34320.4927 -148975.0953 299.7294 -183295.5879 -148874.6292 299.7485 14.9548 50.0186 558069.5891 12.8091 12.8982 PRESSURE: 3441200 -59.0712 22.7302 2.08908 22.7299 -134.699 -18.1684 2.08766 -18.1664 -175.578 GPRESSURE: 3441200 -45.0394 33.5982 6.96692 112.531 -124.005 -54.7421 10.2813 -66.9892 -113.534 PRESSAVG: 3441200 31.4086 20.792 -30.911 20.7919 -56.5253 -34.3778 -30.911 -34.3778 20.3987 GPRESSAVG: 3441200 31.9856 19.084 -28.1642 22.2811 -56.8948 -33.0583 -30.0843 -34.0603 20.3465 TIMING: 3441200 CPU: 9989.67, 0.00291152/step Wall: 9989.67, 0.00291152/step, 1.26069 hours remaining, 207.445312 MB of memory in use. ENERGY: 3441200 727.6091 2142.7357 1942.4877 107.9839 -206018.4772 17799.9242 0.0000 0.0000 34452.4433 -148845.2932 300.8818 -183297.7365 -148754.1948 299.8139 -123.1162 -94.1928 556707.3730 -1.5727 -1.5209 PRESSURE: 3441400 278.596 -4.91564 -30.7346 -4.91597 -71.4394 -22.75 -30.7346 -22.7489 -130.17 GPRESSURE: 3441400 217.924 6.79417 23.0981 -26.6517 15.1288 -6.95132 42.1221 -27.2444 -60.4631 PRESSAVG: 3441400 -8.91028 -9.30094 -39.1958 -9.3009 17.9395 -35.039 -39.1957 -35.039 -5.77799 GPRESSAVG: 3441400 -10.4153 -8.69499 -41.2769 -8.91854 18.9417 -35.084 -37.9056 -35.264 -5.28743 TIMING: 3441400 CPU: 9990.25, 0.0029024/step Wall: 9990.25, 0.0029024/step, 1.25658 hours remaining, 207.445312 MB of memory in use. ENERGY: 3441400 741.8571 2078.1435 1977.7671 111.5581 -205620.9088 17697.9303 0.0000 0.0000 34283.3454 -148730.3074 299.4050 -183013.6527 -148626.7302 300.3027 25.6624 57.5299 557076.3028 1.0837 1.0796 PRESSURE: 3441600 168.867 -138.443 17.4527 -138.443 237.839 43.8672 17.4518 43.8671 91.422 GPRESSURE: 3441600 242.342 -125.07 44.2539 -163.907 231.801 -3.67199 -15.0871 85.4805 123.592 PRESSAVG: 3441600 33.4004 -55.2103 10.1903 -55.2103 47.2142 -42.29 10.1903 -42.2899 -61.9917 GPRESSAVG: 3441600 34.0514 -55.005 8.96066 -57.0338 47.3744 -44.7083 10.1469 -41.7966 -63.2356 TIMING: 3441600 CPU: 9990.84, 0.00292321/step Wall: 9990.84, 0.00292321/step, 1.26543 hours remaining, 207.445312 MB of memory in use. ENERGY: 3441600 723.5159 2077.6135 1965.5845 124.6067 -206136.2226 18057.8340 0.0000 0.0000 34400.8243 -148786.2438 300.4310 -183187.0681 -148689.0662 300.9595 166.0425 199.2454 556850.4362 6.2076 6.0634 PRESSURE: 3441800 32.3649 -143.473 183.198 -143.471 185.944 -149.147 183.198 -149.145 -288.537 GPRESSURE: 3441800 62.7807 -101.714 284.313 -119.456 248.5 -156.437 135.61 -158.499 -291.974 PRESSAVG: 3441800 -21.4862 -21.5021 44.3738 -21.5021 77.3651 -41.3302 44.3738 -41.3302 -61.5856 GPRESSAVG: 3441800 -20.6902 -22.4559 47.0254 -18.8912 76.8506 -40.6816 44.3913 -42.4668 -61.6325 TIMING: 3441800 CPU: 9991.42, 0.00293448/step Wall: 9991.42, 0.00293448/step, 1.27014 hours remaining, 207.445312 MB of memory in use. ENERGY: 3441800 723.2167 2116.8593 1948.8188 108.1128 -205545.5213 17551.1599 0.0000 0.0000 34292.4470 -148804.9068 299.4845 -183097.3538 -148714.7926 300.6997 -23.4094 6.4355 557020.7416 -1.9022 -1.8240 PRESSURE: 3442000 -46.9145 -7.22062 -42.2992 -7.22129 -76.9102 -97.6523 -42.2988 -97.6535 -145.717 GPRESSURE: 3442000 -56.3889 38.7295 -63.2276 -53.9714 -63.7259 -119.394 -84.1922 -114.211 -42.2149 PRESSAVG: 3442000 -8.53384 -10.4458 97.0113 -10.4457 76.3368 -48.5988 97.0113 -48.5986 -45.0298 GPRESSAVG: 3442000 -9.24262 -10.7754 95.9411 -11.2307 76.9983 -47.8773 97.1771 -49.2259 -44.4474 TIMING: 3442000 CPU: 9992.01, 0.00292715/step Wall: 9992.01, 0.00292715/step, 1.2668 hours remaining, 207.445312 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: 3442000 736.1190 2054.4206 1973.4112 112.3101 -205566.7769 17603.4375 0.0000 0.0000 34302.2006 -148784.8778 299.5696 -183087.0785 -148699.1892 300.2951 -89.8471 -54.1099 559310.5719 7.5911 7.7694 PRESSURE: 3442200 244.517 126.497 131.454 126.496 154.841 82.7692 131.454 82.7693 470.929 GPRESSURE: 3442200 290.871 180.974 103.671 106.161 176.398 92.5227 80.7174 64.8394 491.047 PRESSAVG: 3442200 -31.9648 49.9407 -4.88784 49.9407 20.488 8.89925 -4.8879 8.89931 0.767572 GPRESSAVG: 3442200 -32.1397 48.223 -6.82734 52.9362 20.5949 9.27545 -4.55187 9.13129 0.976688 TIMING: 3442200 CPU: 9992.59, 0.00292238/step Wall: 9992.59, 0.00292238/step, 1.26458 hours remaining, 207.445312 MB of memory in use. ENERGY: 3442200 734.6091 2073.5381 1966.8564 132.9319 -206202.7729 18006.6190 0.0000 0.0000 34280.2938 -149007.9245 299.3783 -183288.2183 -148913.8522 299.9109 290.0958 319.4385 556289.9955 -3.5698 -3.5227 PRESSURE: 3442400 -10.6318 -26.8852 64.7812 -26.885 38.1607 -26.5449 64.7815 -26.5444 108.595 GPRESSURE: 3442400 -29.8313 -37.4305 12.2782 -51.3288 106.328 -8.4911 77.931 -41.6916 166.4 PRESSAVG: 3442400 20.05 0.579657 51.0635 0.57968 15.9593 57.6765 51.0634 57.6765 -7.92942 GPRESSAVG: 3442400 20.9429 2.65169 52.5111 -1.69529 15.4825 58.4248 49.7447 57.3158 -8.37978 TIMING: 3442400 CPU: 9993.18, 0.00290481/step Wall: 9993.18, 0.00290481/step, 1.25681 hours remaining, 207.445312 MB of memory in use. ENERGY: 3442400 758.6552 2110.2997 1953.9290 119.1652 -206476.0179 18108.9391 0.0000 0.0000 34320.9374 -149104.0923 299.7333 -183425.0297 -149006.4889 300.3003 45.3747 80.9654 557327.0074 9.3600 9.3485 PRESSURE: 3442600 -171.594 266.944 23.2164 266.943 -226.708 -154.119 23.2145 -154.118 143.918 GPRESSURE: 3442600 -177.956 198.865 -55.6223 137.898 -166.353 -190.807 74.5685 -98.7534 194.654 PRESSAVG: 3442600 -64.9104 -21.2033 24.9023 -21.2034 42.6523 -4.90706 24.9024 -4.90721 34.9111 GPRESSAVG: 3442600 -63.5001 -21.1824 24.779 -21.6501 42.2547 -7.57512 27.2717 -2.09208 34.3624 TIMING: 3442600 CPU: 9993.76, 0.00293119/step Wall: 9993.76, 0.00293119/step, 1.26807 hours remaining, 207.445312 MB of memory in use. ENERGY: 3442600 773.6443 2071.0424 1962.8710 123.7562 -206107.4751 17765.1331 0.0000 0.0000 34180.7539 -149230.2742 298.5090 -183411.0281 -149134.9636 300.0456 -84.7946 -49.8851 558777.2625 4.2177 4.3723 PRESSURE: 3442800 -76.4731 -190.352 35.6602 -190.351 -182.104 29.0267 35.6594 29.027 -109.777 GPRESSURE: 3442800 -61.9522 -150.272 40.6125 -168.069 -130.172 4.47701 50.6669 8.78999 -84.9268 PRESSAVG: 3442800 -62.4852 -14.5636 -16.0173 -14.5637 -37.9531 13.4891 -16.0172 13.4892 53.575 GPRESSAVG: 3442800 -63.3686 -16.1697 -15.7042 -13.0699 -36.6401 14.8772 -15.7859 11.0137 53.7246 TIMING: 3442800 CPU: 9994.34, 0.00290482/step Wall: 9994.34, 0.00290482/step, 1.25649 hours remaining, 207.445312 MB of memory in use. ENERGY: 3442800 777.1489 2083.8402 1976.1199 117.9441 -206298.4889 17817.7235 0.0000 0.0000 34377.4600 -149148.2522 300.2269 -183525.7122 -149049.0115 299.2663 -122.7846 -92.3502 559244.8530 -15.6211 -15.4280 PRESSURE: 3443000 11.9429 30.0585 -35.8106 30.0574 -207.977 -127.355 -35.8106 -127.356 15.3826 GPRESSURE: 3443000 35.0174 19.3687 -97.546 21.7331 -197.82 -122.098 29.1054 -107.728 68.221 PRESSAVG: 3443000 -20.695 44.1411 8.65582 44.141 -32.6966 0.340091 8.65583 0.339991 49.235 GPRESSAVG: 3443000 -20.8537 43.8415 8.54884 43.8074 -33.6512 -1.15529 7.70998 2.94594 50.1422 TIMING: 3443000 CPU: 9994.92, 0.00290388/step Wall: 9994.92, 0.00290388/step, 1.25593 hours remaining, 207.445312 MB of memory in use. ENERGY: 3443000 705.1609 2072.5775 1967.7343 126.7900 -206227.1296 17798.1602 0.0000 0.0000 34441.9015 -149114.8053 300.7897 -183556.7068 -149023.9495 299.5647 -60.2173 -31.5270 559250.5196 -1.3856 -1.4543 PRESSURE: 3443200 96.8537 8.05501 -41.5076 8.05516 31.7446 -145.556 -41.5069 -145.557 -68.0145 GPRESSURE: 3443200 150.307 -6.78188 -13.3624 -25.2288 2.77037 -211.03 -31.2333 -50.0183 -1.79318 PRESSAVG: 3443200 43.8936 1.55958 -9.16966 1.55952 -63.084 33.2141 -9.16969 33.2141 47.5821 GPRESSAVG: 3443200 43.4137 2.64741 -9.5354 -0.122642 -62.8879 34.5698 -9.73143 31.8593 47.9395 TIMING: 3443200 CPU: 9995.51, 0.00293433/step Wall: 9995.51, 0.00293433/step, 1.26893 hours remaining, 207.445312 MB of memory in use. ENERGY: 3443200 751.2064 2115.1191 1991.9544 107.4313 -206348.1517 17960.1409 0.0000 0.0000 34333.7857 -149088.5139 299.8455 -183422.2996 -148992.6333 299.9649 20.1946 50.4281 556786.2076 9.4639 9.4884 PRESSURE: 3443400 10.7113 -67.4148 159.759 -67.4153 -123.251 118.772 159.758 118.773 177.697 GPRESSURE: 3443400 59.327 -56.8517 116.82 -114.116 -92.5123 108.71 198.356 91.6958 212.584 PRESSAVG: 3443400 13.6934 -18.935 38.1102 -18.9352 8.95434 -16.3989 38.1101 -16.399 13.3264 GPRESSAVG: 3443400 13.41 -18.4912 37.8775 -18.875 9.64679 -15.9434 38.3762 -16.428 13.2214 TIMING: 3443400 CPU: 9996.1, 0.00292748/step Wall: 9996.1, 0.00292748/step, 1.26581 hours remaining, 207.445312 MB of memory in use. ENERGY: 3443400 750.5798 2042.4497 1983.6615 107.7227 -205987.6697 17747.9897 0.0000 0.0000 34411.2515 -148944.0147 300.5220 -183355.2662 -148847.5812 299.5160 21.7190 59.7994 558770.4866 11.9914 12.0927 PRESSURE: 3443600 -144.308 219.161 -136.594 219.162 8.3134 104.182 -136.591 104.182 124.027 GPRESSURE: 3443600 -131.707 266.054 -21.4672 220.158 45.0833 115.784 -151.181 162.554 164.929 PRESSAVG: 3443600 -49.1046 13.6161 54.3633 13.616 -0.911334 18.3657 54.3633 18.3658 25.6211 GPRESSAVG: 3443600 -48.4957 12.1955 55.2543 13.0606 -2.57055 18.2146 53.2498 18.8753 26.5474 TIMING: 3443600 CPU: 9996.68, 0.00290152/step Wall: 9996.68, 0.00290152/step, 1.25443 hours remaining, 207.445312 MB of memory in use. ENERGY: 3443600 762.8799 2080.7303 1969.8747 111.1901 -206376.0298 17989.5124 0.0000 0.0000 34417.8233 -149044.0191 300.5794 -183461.8424 -148952.3070 300.0755 -3.9892 26.1018 558426.6867 -8.1316 -8.1730 PRESSURE: 3443800 15.7548 155.381 -65.7284 155.382 266.601 -144.197 -65.7289 -144.198 40.1409 GPRESSURE: 3443800 40.954 185.201 -51.795 104.322 305.045 -156.338 -72.3867 -144.478 83.7008 PRESSAVG: 3443800 7.57796 -8.29004 17.6815 -8.29003 70.7038 -16.2615 17.6815 -16.2615 -9.60806 GPRESSAVG: 3443800 8.0221 -6.75908 17.758 -7.35416 71.3139 -15.761 18.9762 -16.2096 -10.4468 TIMING: 3443800 CPU: 9997.25, 0.00288852/step Wall: 9997.25, 0.00288852/step, 1.24864 hours remaining, 207.445312 MB of memory in use. ENERGY: 3443800 762.0386 2046.5620 1989.8557 108.2512 -206350.7480 18131.5573 0.0000 0.0000 34106.7218 -149205.7615 297.8625 -183312.4833 -149106.7057 299.6208 107.4990 143.2332 556908.9054 22.8912 22.9630 PRESSURE: 3444000 -80.3749 -168.923 37.4453 -168.923 90.6935 12.0211 37.4466 12.0209 117.307 GPRESSURE: 3444000 -28.1216 -97.4328 84.1488 -207.594 84.9843 22.2378 37.5882 -39.5253 185.444 PRESSAVG: 3444000 8.3436 -57.7308 31.2237 -57.7308 -8.26773 43.5848 31.2237 43.5849 6.00614 GPRESSAVG: 3444000 8.1008 -56.6321 28.9816 -59.7164 -7.42152 42.2733 31.969 43.8072 5.07731 TIMING: 3444000 CPU: 9997.83, 0.0028973/step Wall: 9997.83, 0.0028973/step, 1.25228 hours remaining, 207.445312 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: 3444000 743.6508 2097.9655 1951.1092 110.5811 -206117.4608 17861.2991 0.0000 0.0000 34115.6031 -149237.2521 297.9400 -183352.8552 -149149.7558 299.0375 42.5420 80.7688 558975.7052 2.0273 1.9189 PRESSURE: 3444200 119.287 71.1179 -51.1383 71.1184 -73.8915 -90.1649 -51.139 -90.1655 -150.132 GPRESSURE: 3444200 157.402 40.902 -68.5284 85.0992 -59.6039 -86.3661 -97.3163 -77.7667 -105.911 PRESSAVG: 3444200 32.9807 2.34913 57.2396 2.3492 19.8522 37.0419 57.2397 37.0419 -48.3096 GPRESSAVG: 3444200 33.515 -0.0892324 59.5673 4.26301 17.9021 37.2222 55.8641 35.5559 -47.2883 TIMING: 3444200 CPU: 9998.41, 0.00290765/step Wall: 9998.41, 0.00290765/step, 1.25659 hours remaining, 207.445312 MB of memory in use. ENERGY: 3444200 735.7101 2102.3234 1962.7787 106.5150 -206070.9750 17752.3604 0.0000 0.0000 34233.3878 -149177.8996 298.9687 -183411.2873 -149082.3266 298.3658 -34.9122 -2.7045 557183.4272 1.5077 1.3763 LDB: ============= START OF LOAD BALANCING ============== 10001.9 LDB: ============== END OF LOAD BALANCING =============== 10001.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10001.9 LDB: ============= START OF LOAD BALANCING ============== 10002.2 LDB: Largest compute 4820 load 0.031081 is 26.4% of average load 0.117815 LDB: Average compute 0.001711 is 1.5% of average load 0.117815 LDB: TIME 10002.2 LOAD: AVG 0.117815 MAX 0.181454 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 10002.2 LOAD: AVG 0.117815 MAX 0.181454 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: TIME 10002.2 LOAD: AVG 0.117815 MAX 0.181454 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10002.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10002.2 PRESSURE: 3444400 247.471 35.6092 -151.322 35.6091 5.46569 -33.461 -151.321 -33.4605 -239.108 GPRESSURE: 3444400 238.847 -64.5069 -185.639 46.7519 82.7588 -90.1813 -53.4213 28.9809 -185.659 PRESSAVG: 3444400 114.839 23.9445 -14.1683 23.9444 -71.9694 19.1508 -14.1683 19.1509 -68.8033 GPRESSAVG: 3444400 113.464 23.6082 -12.1397 23.3244 -70.0951 19.5708 -13.8669 20.3979 -69.2026 TIMING: 3444400 CPU: 9999.01, 0.00299076/step Wall: 9999.01, 0.00299076/step, 1.29234 hours remaining, 207.859375 MB of memory in use. ENERGY: 3444400 748.6707 2140.2263 1952.5238 109.1642 -206125.0004 17803.7621 0.0000 0.0000 34254.7336 -149115.9196 299.1551 -183370.6532 -149026.9331 299.9523 4.6096 45.3157 556868.0792 -8.6445 -8.6111 PRESSURE: 3444600 -188.997 56.7583 -88.6147 56.7586 96.2766 -130.775 -88.6145 -130.776 -180.552 GPRESSURE: 3444600 -103.435 44.2916 -63.0864 -12.3055 120.783 -161.835 -33.8992 -182.201 -197.208 PRESSAVG: 3444600 37.431 5.84203 -33.24 5.84213 33.8989 -31.8064 -33.24 -31.8067 -39.2391 GPRESSAVG: 3444600 39.0377 5.43064 -34.7039 9.03016 33.8414 -32.6408 -33.9103 -31.5015 -40.1453 TIMING: 3444600 CPU: 9999.59, 0.00289513/step Wall: 9999.59, 0.00289513/step, 1.25086 hours remaining, 208.062500 MB of memory in use. ENERGY: 3444600 760.9224 2093.0224 1975.3219 114.6694 -206117.3541 17646.1021 0.0000 0.0000 34209.0165 -149318.2994 298.7558 -183527.3159 -149228.3130 299.7672 -91.0908 -59.9533 556823.3487 10.6969 10.9113 PRESSURE: 3444800 78.0222 -5.66926 -112.226 -5.66893 -94.3678 79.043 -112.226 79.0424 54.5376 GPRESSURE: 3444800 94.2879 -29.9023 -125.783 -20.4935 -27.2859 24.3647 -83.1855 113.971 65.6817 PRESSAVG: 3444800 53.7599 56.211 -12.8149 56.211 -18.1052 21.6192 -12.8148 21.6192 13.5821 GPRESSAVG: 3444800 54.3521 57.9019 -14.9943 52.9202 -18.0501 20.6725 -13.3484 23.3352 13.802 TIMING: 3444800 CPU: 10000.2, 0.00292146/step Wall: 10000.2, 0.00292146/step, 1.26207 hours remaining, 208.062500 MB of memory in use. ENERGY: 3444800 731.5179 2137.2034 1977.3700 113.1919 -206191.5777 17560.1976 0.0000 0.0000 34416.9169 -149255.1800 300.5715 -183672.0969 -149154.8208 299.3434 12.7307 44.2279 555586.7851 16.4123 16.7013 PRESSURE: 3445000 82.4699 72.3379 140.986 72.3373 92.1467 97.4308 140.985 97.4303 -73.9026 GPRESSURE: 3445000 111.898 14.4731 84.129 44.8235 145.221 44.4409 143.018 28.0424 -58.6076 PRESSAVG: 3445000 -11.9657 2.06473 -0.165865 2.06472 -42.9025 12.7205 -0.165812 12.7205 14.5247 GPRESSAVG: 3445000 -12.675 3.27351 -1.17321 1.56271 -42.4513 15.3259 0.760835 10.9154 14.266 TIMING: 3445000 CPU: 10000.8, 0.00291412/step Wall: 10000.8, 0.00291412/step, 1.25874 hours remaining, 208.062500 MB of memory in use. ENERGY: 3445000 726.6477 2107.9765 1979.5403 121.2968 -206207.7971 17732.4586 0.0000 0.0000 34319.3974 -149220.4798 299.7198 -183539.8773 -149123.3943 299.9941 33.5713 66.1704 555782.3776 -13.4478 -13.6201 PRESSURE: 3445200 -51.3409 37.9867 -28.0581 37.9873 21.8642 92.0707 -28.0566 92.0724 113.971 GPRESSURE: 3445200 2.44797 139.131 -33.2913 8.47825 22.0329 69.4222 -24.0797 99.4919 157.777 PRESSAVG: 3445200 -40.9406 46.4959 -0.0215852 46.4959 -41.4173 -17.8415 -0.0216595 -17.8416 108.562 GPRESSAVG: 3445200 -41.4457 45.846 1.85928 47.6973 -41.55 -18.1978 1.56474 -17.4532 109.937 TIMING: 3445200 CPU: 10001.3, 0.00289751/step Wall: 10001.3, 0.00289751/step, 1.2514 hours remaining, 208.062500 MB of memory in use. ENERGY: 3445200 736.3906 2118.1878 1980.9783 111.9413 -206108.6090 17646.9305 0.0000 0.0000 34145.0143 -149369.1663 298.1969 -183514.1805 -149273.6703 299.8121 28.1648 60.7527 556992.8556 8.7347 8.9804 PRESSURE: 3445400 -127.931 62.269 104.59 62.2692 -105.82 95.6147 104.59 95.6151 -81.9636 GPRESSURE: 3445400 -102.402 105.869 154.855 91.7828 -81.3585 33.2297 151.79 117.048 -28.4801 PRESSAVG: 3445400 -101.461 -17.0541 58.4848 -17.0541 25.1535 38.3685 58.4849 38.3687 47.424 GPRESSAVG: 3445400 -102.13 -16.9988 59.1897 -18.3482 25.8864 36.2859 58.355 37.1315 47.1106 TIMING: 3445400 CPU: 10001.9, 0.00289226/step Wall: 10001.9, 0.00289226/step, 1.24897 hours remaining, 208.062500 MB of memory in use. ENERGY: 3445400 776.4738 2117.1771 1937.6716 107.0720 -206175.2235 17767.3846 0.0000 0.0000 34184.9731 -149284.4713 298.5459 -183469.4444 -149186.4912 298.8465 -105.2380 -70.7468 557302.7585 -9.6278 -9.7109 PRESSURE: 3445600 -142.993 23.5626 -72.6756 23.5637 -309.011 -127.592 -72.6757 -127.592 -134.605 GPRESSURE: 3445600 -120.169 11.6582 -49.4306 6.92944 -260.8 -159.656 -54.3045 -69.4316 -113 PRESSAVG: 3445600 -41.3613 -6.80121 1.37024 -6.80121 71.735 19.0673 1.3703 19.0672 18.4178 GPRESSAVG: 3445600 -40.6425 -7.56514 2.40785 -6.61168 71.3098 21.2511 -1.30158 18.3251 18.8552 TIMING: 3445600 CPU: 10002.5, 0.00287064/step Wall: 10002.5, 0.00287064/step, 1.23948 hours remaining, 208.062500 MB of memory in use. ENERGY: 3445600 782.8827 2105.3661 1965.6350 127.8778 -205890.8608 17583.5505 0.0000 0.0000 34159.9874 -149165.5614 298.3277 -183325.5488 -149069.1033 299.6473 -195.5362 -164.6561 557930.6504 16.2638 16.5075 PRESSURE: 3445800 -141.573 54.546 -10.976 54.546 24.8759 -40.3529 -10.9749 -40.3525 -177.416 GPRESSURE: 3445800 -100.503 91.506 -160.636 3.74601 85.7007 -2.71327 63.7996 -113.169 -178.55 PRESSAVG: 3445800 16.2763 8.18847 13.2336 8.18836 -7.84077 -98.5612 13.2336 -98.5612 71.9137 GPRESSAVG: 3445800 16.9452 8.15499 10.5446 9.67586 -8.16119 -98.566 15.0258 -98.974 71.0759 TIMING: 3445800 CPU: 10003.1, 0.00288756/step Wall: 10003.1, 0.00288756/step, 1.24662 hours remaining, 208.230469 MB of memory in use. ENERGY: 3445800 740.7841 2049.2393 1961.5151 127.1432 -205831.9151 17723.3475 0.0000 0.0000 33955.1088 -149274.7771 296.5384 -183229.8859 -149175.0359 299.8022 -98.0375 -64.4510 558842.5267 26.7831 26.6200 PRESSURE: 3446000 -165.687 36.5684 -135.289 36.5682 37.317 109.578 -135.289 109.579 -223.092 GPRESSURE: 3446000 -193.518 -36.5359 -105.755 37.4331 53.5622 122.926 -143.654 114.496 -128.344 PRESSAVG: 3446000 -43.9112 -14.0429 -21.4911 -14.043 13.9409 16.4428 -21.4912 16.4428 29.0274 GPRESSAVG: 3446000 -45.125 -16.7512 -21.8101 -13.5085 14.0817 13.5668 -21.1629 19.1178 29.6052 TIMING: 3446000 CPU: 10003.6, 0.00288868/step Wall: 10003.6, 0.00288868/step, 1.24695 hours remaining, 208.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3446000 715.6589 2120.2640 1959.4939 106.8412 -205943.9938 17689.0700 0.0000 0.0000 34209.5111 -149143.1546 298.7602 -183352.6657 -149049.4913 298.8017 -117.1541 -89.4331 557976.8332 -0.3143 -0.4794 PRESSURE: 3446200 146.087 -21.4508 29.5278 -21.451 -56.0654 43.4144 29.5267 43.4152 80.4987 GPRESSURE: 3446200 171.201 -55.4272 -23.234 24.6599 -7.54216 47.5715 12.5478 55.4384 109.414 PRESSAVG: 3446200 -43.2878 1.24013 -40.2998 1.24006 -3.3481 18.7689 -40.2998 18.769 13.8225 GPRESSAVG: 3446200 -41.4902 5.95447 -38.6589 -0.171217 -3.98332 21.151 -41.1963 16.8611 13.3925 TIMING: 3446200 CPU: 10004.2, 0.00290138/step Wall: 10004.2, 0.00290138/step, 1.25227 hours remaining, 208.230469 MB of memory in use. ENERGY: 3446200 748.3889 2086.9386 1986.5630 107.5034 -206332.6856 17850.1582 0.0000 0.0000 34351.6449 -149201.4885 300.0015 -183553.1335 -149100.7763 299.1033 56.8400 91.0243 557755.1137 -10.9378 -10.6937 PRESSURE: 3446400 96.1023 -27.6356 -66.2676 -27.6343 -129.752 -37.4033 -66.2659 -37.4026 -72.2727 GPRESSURE: 3446400 72.5233 -50.5303 -9.73841 43.9955 -85.2248 -166.274 -33.9454 -25.5609 2.18403 PRESSAVG: 3446400 33.2815 15.3399 9.13827 15.3399 10.6403 -16.3437 9.13834 -16.3438 -66.6307 GPRESSAVG: 3446400 33.0357 14.0608 8.97206 15.9168 10.7649 -19.3543 9.32594 -16.7164 -66.6231 TIMING: 3446400 CPU: 10004.8, 0.00290078/step Wall: 10004.8, 0.00290078/step, 1.25185 hours remaining, 208.230469 MB of memory in use. ENERGY: 3446400 698.2385 2108.7160 1971.3325 106.1096 -206504.1596 18096.4004 0.0000 0.0000 34248.7500 -149274.6125 299.1029 -183523.3625 -149176.7584 299.6016 -35.3075 -3.5058 559123.4835 -7.5696 -7.6075 PRESSURE: 3446600 17.0942 -36.6213 73.6965 -36.622 -125.555 -74.1309 73.6961 -74.1302 90.3584 GPRESSURE: 3446600 24.6098 33.518 87.3271 -104.904 -75.0221 -24.5971 79.6175 -88.4492 125.263 PRESSAVG: 3446600 4.66593 37.7155 41.1466 37.7155 -11.5797 -8.71273 41.1466 -8.71264 34.377 GPRESSAVG: 3446600 3.25129 38.0395 42.0139 35.1172 -10.7577 -4.45784 41.2068 -8.61143 34.8578 TIMING: 3446600 CPU: 10005.4, 0.00293415/step Wall: 10005.4, 0.00293415/step, 1.26609 hours remaining, 208.230469 MB of memory in use. ENERGY: 3446600 695.9963 2060.0143 1985.3234 101.0613 -206186.5188 17749.2612 0.0000 0.0000 34377.0884 -149217.7739 300.2237 -183594.8623 -149115.3909 298.6818 -6.0341 24.9503 557351.8624 9.1544 9.1171 PRESSURE: 3446800 -115.207 -28.4911 147.268 -28.4914 -180.135 79.804 147.267 79.8051 80.2683 GPRESSURE: 3446800 -132.495 -0.943587 184.945 33.7617 -132.28 91.578 138.948 117.432 135.734 PRESSAVG: 3446800 -33.5946 60.1695 41.9223 60.1696 -1.49631 26.7395 41.9223 26.7395 53.986 GPRESSAVG: 3446800 -32.3434 60.8536 42.4253 61.4774 -1.92415 25.272 40.8597 26.4265 53.7942 TIMING: 3446800 CPU: 10006, 0.00294478/step Wall: 10006, 0.00294478/step, 1.27051 hours remaining, 208.230469 MB of memory in use. ENERGY: 3446800 738.5910 2052.3549 1943.5735 110.2242 -205461.4652 17417.4677 0.0000 0.0000 34061.4291 -149137.8248 297.4669 -183199.2539 -149041.3751 299.2475 -71.6911 -43.0135 558421.7896 6.2984 6.5089 PRESSURE: 3447000 -47.4475 88.3071 39.7262 88.3065 71.2522 -72.3458 39.7268 -72.3467 -14.6356 GPRESSURE: 3447000 -62.1027 78.362 27.9317 113.991 168.459 -48.7814 -73.1083 -89.3207 -2.88662 PRESSAVG: 3447000 -28.8527 5.89356 54.9609 5.89353 -11.1253 -20.8935 54.9609 -20.8936 60.9448 GPRESSAVG: 3447000 -28.5088 4.67141 55.5481 7.46854 -10.5627 -21.1444 52.771 -21.2827 59.9907 TIMING: 3447000 CPU: 10006.6, 0.00293885/step Wall: 10006.6, 0.00293885/step, 1.26779 hours remaining, 208.230469 MB of memory in use. ENERGY: 3447000 707.5321 2063.4659 1970.8164 118.2050 -206136.3619 17807.2522 0.0000 0.0000 34215.4241 -149253.6661 298.8118 -183469.0901 -149148.7336 298.9063 3.0564 34.4900 557768.8557 6.9889 6.9731 PRESSURE: 3447200 -85.4642 114.751 -216.884 114.751 -134.204 20.6746 -216.884 20.6758 -277.635 GPRESSURE: 3447200 -21.4473 133.494 -192.329 39.111 -147.299 55.882 -267.778 -47.4996 -230.418 PRESSAVG: 3447200 -14.5859 -29.0084 -26.1667 -29.0082 25.5682 34.6668 -26.1667 34.6669 -4.32829 GPRESSAVG: 3447200 -15.3474 -31.2863 -24.5161 -26.5913 25.074 34.1294 -25.061 34.8071 -2.90026 TIMING: 3447200 CPU: 10007.2, 0.00292768/step Wall: 10007.2, 0.00292768/step, 1.2628 hours remaining, 208.230469 MB of memory in use. ENERGY: 3447200 741.9362 2083.6691 1947.9343 102.3311 -205981.4505 17596.8710 0.0000 0.0000 34110.6898 -149398.0189 297.8971 -183508.7088 -149309.2374 298.5730 -165.7677 -133.0546 558571.9785 2.2180 2.2755 PRESSURE: 3447400 -66.6904 55.6081 82.8742 55.6067 -203.474 -48.4057 82.8757 -48.4062 95.83 GPRESSURE: 3447400 13.9818 58.7152 74.8956 41.9699 -171.247 -84.3952 148.47 -109.662 81.5379 PRESSAVG: 3447400 18.2629 44.6956 -1.80228 44.6957 17.3232 8.54565 -1.80231 8.54561 -8.97847 GPRESSAVG: 3447400 18.4275 47.1229 -5.19169 43.8915 16.1864 9.04542 -0.146532 9.27704 -8.26672 TIMING: 3447400 CPU: 10007.7, 0.00293817/step Wall: 10007.7, 0.00293817/step, 1.26717 hours remaining, 208.230469 MB of memory in use. ENERGY: 3447400 721.3339 2076.3189 1968.8852 107.6130 -205973.8577 17642.0108 0.0000 0.0000 34209.2097 -149248.4861 298.7575 -183457.6958 -149151.4941 298.8927 -58.1113 -25.2426 558391.3689 8.8692 8.7824 PRESSURE: 3447600 -1.27069 102.817 3.5404 102.817 24.5547 76.6338 3.54078 76.6337 -198.972 GPRESSURE: 3447600 29.3416 115.081 -45.5683 13.5944 62.5337 54.4634 12.779 103.064 -177.935 PRESSAVG: 3447600 51.1506 14.841 -13.0924 14.841 -44.3214 40.4799 -13.0924 40.4798 -17.7709 GPRESSAVG: 3447600 52.5602 16.1237 -12.858 12.2354 -43.9604 39.377 -12.8684 40.0037 -19.1712 TIMING: 3447600 CPU: 10008.3, 0.00291779/step Wall: 10008.3, 0.00291779/step, 1.25822 hours remaining, 208.230469 MB of memory in use. ENERGY: 3447600 746.1630 2088.4719 1952.2614 106.2450 -206153.4909 17776.1558 0.0000 0.0000 34287.9215 -149196.2724 299.4449 -183484.1939 -149100.5352 299.4518 -58.5628 -28.6865 557922.2318 -3.6472 -3.5238 PRESSURE: 3447800 110.292 17.5863 -26.6652 17.5871 -41.2903 -117.803 -26.6654 -117.804 -102.703 GPRESSURE: 3447800 115.673 15.05 -15.8949 69.6991 -39.2959 -78.8754 -114.507 -91.3363 -10.8132 PRESSAVG: 3447800 95.7834 10.975 -16.8908 10.975 9.68773 -22.9802 -16.8908 -22.9803 -78.0369 GPRESSAVG: 3447800 94.5351 10.4289 -17.3548 11.1556 11.2289 -22.7056 -18.5505 -21.3431 -77.962 TIMING: 3447800 CPU: 10008.9, 0.00293555/step Wall: 10008.9, 0.00293555/step, 1.26571 hours remaining, 208.230469 MB of memory in use. ENERGY: 3447800 722.8363 2046.7445 1940.6235 107.0046 -205864.5640 17796.5145 0.0000 0.0000 34195.0588 -149055.7819 298.6340 -183250.8406 -148968.0198 299.7522 -11.2338 21.8545 557192.7814 9.1448 9.2673 PRESSURE: 3448000 -52.276 16.0847 134.402 16.0841 -241.406 50.9661 134.401 50.9669 -3.08874 GPRESSURE: 3448000 28.0089 -35.5577 76.9831 113.916 -253.647 -13.244 222.572 86.5519 28.3551 PRESSAVG: 3448000 -11.8667 -11.0571 -20.153 -11.0572 11.0747 9.34473 -20.1529 9.34485 24.1644 GPRESSAVG: 3448000 -10.4068 -10.2325 -18.3731 -10.7825 10.122 8.79407 -19.0911 8.78144 23.4998 TIMING: 3448000 CPU: 10009.5, 0.00291015/step Wall: 10009.5, 0.00291015/step, 1.2546 hours remaining, 208.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3448000 689.4542 2127.8476 1950.5472 97.4644 -205361.1045 17459.9058 0.0000 0.0000 34141.1186 -148894.7667 298.1629 -183035.8853 -148802.9702 299.8640 -98.9236 -65.7610 559693.3691 7.7908 7.7383 PRESSURE: 3448200 165.161 31.4353 51.8316 31.4359 239.82 79.0071 51.831 79.0072 -311.089 GPRESSURE: 3448200 201.487 -10.7443 78.892 139.121 242.375 106.574 73.6991 96.2869 -272.129 PRESSAVG: 3448200 4.56944 -14.5863 -16.6305 -14.5863 24.7465 33.4697 -16.6305 33.4698 -25.9228 GPRESSAVG: 3448200 4.10453 -14.98 -17.5355 -15.1947 24.7837 33.0614 -16.0673 33.6981 -25.1188 TIMING: 3448200 CPU: 10010.1, 0.00292728/step Wall: 10010.1, 0.00292728/step, 1.26182 hours remaining, 208.230469 MB of memory in use. ENERGY: 3448200 733.6110 2056.5711 1951.2476 111.5209 -206023.2418 17951.2589 0.0000 0.0000 34291.7800 -148927.2523 299.4786 -183219.0323 -148827.3064 300.3802 31.2972 57.2443 557038.5133 1.1310 1.2565 LDB: ============= START OF LOAD BALANCING ============== 10013.6 LDB: ============== END OF LOAD BALANCING =============== 10013.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10013.6 LDB: ============= START OF LOAD BALANCING ============== 10013.8 LDB: Largest compute 4820 load 0.031114 is 26.4% of average load 0.117767 LDB: Average compute 0.001705 is 1.4% of average load 0.117767 LDB: TIME 10013.8 LOAD: AVG 0.117767 MAX 0.179325 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 10013.8 LOAD: AVG 0.117767 MAX 0.179325 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.188 MB LDB: TIME 10013.8 LOAD: AVG 0.117767 MAX 0.179325 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.188 MB LDB: ============== END OF LOAD BALANCING =============== 10013.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10013.9 PRESSURE: 3448400 73.4821 45.5784 -72.0243 45.578 -126.137 -70.5406 -72.0256 -70.5415 -118.745 GPRESSURE: 3448400 110.885 -14.54 -80.2829 45.6176 -31.9821 -57.6419 -44.5798 -66.9375 -158.885 PRESSAVG: 3448400 54.2762 9.92743 -88.9551 9.92737 -35.2492 -39.2283 -88.9551 -39.2283 -29.1211 GPRESSAVG: 3448400 54.424 9.60859 -88.7235 11.1534 -35.6154 -39.2362 -89.6099 -38.7625 -28.9498 TIMING: 3448400 CPU: 10010.7, 0.00299337/step Wall: 10010.7, 0.00299337/step, 1.29014 hours remaining, 207.554688 MB of memory in use. ENERGY: 3448400 752.2185 2084.1530 1963.6131 121.3318 -206011.7340 17680.3549 0.0000 0.0000 34389.6986 -149020.3641 300.3338 -183410.0627 -148926.1814 300.0607 -57.1336 -26.6609 557257.3977 -3.3647 -3.3804 PRESSURE: 3448600 134.268 133.757 -87.7415 133.758 -0.904947 -174.406 -87.7427 -174.406 98.0469 GPRESSURE: 3448600 148.003 85.1225 -52.6813 82.2678 1.58236 -226.443 -112.568 -256.445 181.949 PRESSAVG: 3448600 57.9651 -14.7378 -33.297 -14.7378 -29.1139 -45.1304 -33.297 -45.1304 4.74328 GPRESSAVG: 3448600 58.4148 -14.3325 -34.1977 -16.1281 -29.2271 -45.7153 -33.6558 -44.4065 4.70204 TIMING: 3448600 CPU: 10011.3, 0.00292543/step Wall: 10011.3, 0.00292543/step, 1.2607 hours remaining, 207.812500 MB of memory in use. ENERGY: 3448600 734.2900 2054.9624 1963.2458 122.3673 -206279.3873 17941.7414 0.0000 0.0000 34334.1685 -149128.6119 299.8488 -183462.7805 -149025.7675 299.0623 77.1366 110.5116 556828.4688 11.1982 11.2966 PRESSURE: 3448800 85.3033 -67.0046 -81.6279 -67.0036 33.0662 226.13 -81.6282 226.129 -0.364539 GPRESSURE: 3448800 78.2996 48.1562 6.7715 -155.053 137.164 206.05 -105.711 220.319 4.01185 PRESSAVG: 3448800 44.6682 28.9138 -5.02607 28.9139 -88.5092 28.7988 -5.02619 28.7988 37.5612 GPRESSAVG: 3448800 45.8462 31.9159 -4.19917 29.1117 -87.8784 28.3444 -5.5977 28.6506 36 TIMING: 3448800 CPU: 10011.8, 0.0029138/step Wall: 10011.8, 0.0029138/step, 1.25552 hours remaining, 207.812500 MB of memory in use. ENERGY: 3448800 789.3629 2091.6107 1953.5832 117.9774 -206544.7634 17977.2476 0.0000 0.0000 34310.8900 -149304.0917 299.6455 -183614.9817 -149201.9944 298.4538 39.3350 73.1586 556524.0465 -2.0933 -2.0107 PRESSURE: 3449000 105.173 109.792 -92.4193 109.791 26.2331 41.583 -92.4184 41.5821 -187.818 GPRESSURE: 3449000 158.935 86.7762 -129.168 154.182 32.479 37.6286 -129.263 -22.9205 -155.887 PRESSAVG: 3449000 43.142 -15.3355 -16.0974 -15.3355 -62.8513 38.3059 -16.0973 38.3058 23.7118 GPRESSAVG: 3449000 41.3483 -17.7273 -17.088 -14.5382 -63.1601 38.7594 -15.4177 38.0025 25.3467 TIMING: 3449000 CPU: 10012.4, 0.00291579/step Wall: 10012.4, 0.00291579/step, 1.25622 hours remaining, 207.812500 MB of memory in use. ENERGY: 3449000 760.4689 2083.2733 1966.7546 112.0866 -206314.8205 17887.6768 0.0000 0.0000 34208.5503 -149296.0098 298.7518 -183504.5601 -149205.2430 298.9682 -18.8039 11.8424 557603.5926 1.3342 1.1783 PRESSURE: 3449200 129.277 -117.692 151.583 -117.69 128.864 16.3654 151.582 16.3652 122.61 GPRESSURE: 3449200 156.301 -151.452 228.448 -36.4841 211.44 39.3581 127.888 -35.7457 113.347 PRESSAVG: 3449200 23.7286 -35.6239 -17.8023 -35.6238 -41.189 1.708 -17.8023 1.708 7.30493 GPRESSAVG: 3449200 24.0904 -37.8839 -18.4688 -34.7849 -42.1873 3.69136 -17.21 0.294485 7.63823 TIMING: 3449200 CPU: 10013, 0.00292184/step Wall: 10013, 0.00292184/step, 1.25867 hours remaining, 207.812500 MB of memory in use. ENERGY: 3449200 740.6123 2060.3249 1969.6728 108.3938 -206386.5807 18091.2660 0.0000 0.0000 34277.7490 -149138.5618 299.3561 -183416.3108 -149044.2919 298.9083 126.9169 160.3626 556388.7189 -3.3852 -3.4862 PRESSURE: 3449400 185.327 1.55733 -93.5525 1.55833 56.6158 -28.0322 -93.5522 -28.032 -111.382 GPRESSURE: 3449400 194.303 12.2262 -137.408 -72.2732 97.2511 -13.112 -121.148 -7.81483 -79.4832 PRESSAVG: 3449400 13.5417 -46.5434 16.0774 -46.5433 -32.605 -56.9202 16.0774 -56.9202 26.6227 GPRESSAVG: 3449400 12.4583 -46.9249 16.4084 -46.9771 -32.4288 -58.9337 14.886 -54.6535 26.8943 TIMING: 3449400 CPU: 10013.6, 0.00293758/step Wall: 10013.6, 0.00293758/step, 1.26528 hours remaining, 207.902344 MB of memory in use. ENERGY: 3449400 752.3120 2069.9064 1966.4097 116.1075 -205928.1951 17831.7443 0.0000 0.0000 34151.0693 -149040.6458 298.2498 -183191.7151 -148951.8274 299.6857 43.5201 70.6903 556799.3337 2.5198 2.3079 PRESSURE: 3449600 47.6866 126.557 -72.846 126.557 -51.0074 12.6007 -72.8465 12.6014 -78.9686 GPRESSURE: 3449600 109.522 57.9902 1.76432 124.836 -15.5018 20.2356 -136.79 38.2636 -76.6595 PRESSAVG: 3449600 23.4808 -19.2046 -25.4601 -19.2046 -2.36018 42.5706 -25.4601 42.5706 -42.8629 GPRESSAVG: 3449600 25.0675 -17.7722 -24.4292 -20.0213 -2.14411 42.4706 -24.3136 41.9316 -44.7845 TIMING: 3449600 CPU: 10014.2, 0.00295821/step Wall: 10014.2, 0.00295821/step, 1.274 hours remaining, 207.902344 MB of memory in use. ENERGY: 3449600 741.7900 2092.7420 1946.2912 110.0885 -206017.8050 17748.2313 0.0000 0.0000 34393.1530 -148985.5090 300.3640 -183378.6620 -148890.4935 300.1643 -27.4298 5.7868 556621.8199 -7.2474 -7.2870 PRESSURE: 3449800 -236.156 -18.3377 21.9568 -18.337 -271.805 -109.871 21.9568 -109.873 -147.502 GPRESSURE: 3449800 -262.992 69.4779 -31.4445 25.1962 -216.624 -168.757 66.5838 -18.1512 -77.9905 PRESSAVG: 3449800 0.962752 -18.4476 -8.25452 -18.4476 33.9724 23.8266 -8.25448 23.8266 -51.8513 GPRESSAVG: 3449800 -0.712797 -19.9778 -9.98076 -17.1465 34.9253 25.8165 -8.495 21.9031 -51.2409 TIMING: 3449800 CPU: 10014.8, 0.00295054/step Wall: 10014.8, 0.00295054/step, 1.27053 hours remaining, 207.902344 MB of memory in use. ENERGY: 3449800 730.3228 2096.8070 1930.1394 106.7895 -205458.9756 17284.6437 0.0000 0.0000 34377.3805 -148932.8927 300.2262 -183310.2732 -148839.4672 300.8676 -218.4877 -185.8687 557360.6623 -5.6387 -5.6761 PRESSURE: 3450000 -212.588 17.1431 -86.6157 17.1426 247.129 57.7524 -86.6153 57.7516 -80.8147 GPRESSURE: 3450000 -199.127 -7.24469 -105.131 -4.55534 303.854 31.2168 -110.323 98.9009 -54.7858 PRESSAVG: 3450000 19.5281 -33.507 -22.032 -33.507 -0.661723 9.72601 -22.0321 9.72596 -16.1446 GPRESSAVG: 3450000 19.8223 -32.3024 -21.0428 -34.6363 -0.963138 8.36942 -22.2888 9.92834 -16.0509 TIMING: 3450000 CPU: 10015.4, 0.00293791/step Wall: 10015.4, 0.00293791/step, 1.26493 hours remaining, 207.902344 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: 3450000 764.2166 2101.3750 1942.8740 105.8327 -206245.0710 17778.8633 0.0000 0.0000 34527.7780 -149024.1314 301.5397 -183551.9094 -148928.3130 300.7728 -15.4247 16.6471 555709.1323 0.9073 0.9361 PRESSURE: 3450200 -85.6734 -8.79115 167.094 -8.7927 -109.37 24.4565 167.095 24.4569 35.8779 GPRESSURE: 3450200 -53.7123 -114.886 193.495 114.98 -86.3646 4.53771 145.074 -6.40272 67.8454 PRESSAVG: 3450200 -76.1559 34.0673 44.5084 34.0672 43.5615 8.66979 44.5084 8.66986 33.2712 GPRESSAVG: 3450200 -74.9525 33.9213 45.55 34.4792 42.1735 8.77784 45.7144 10.4111 32.9013 TIMING: 3450200 CPU: 10016, 0.00294345/step Wall: 10016, 0.00294345/step, 1.26716 hours remaining, 207.902344 MB of memory in use. ENERGY: 3450200 724.6946 2112.9026 1933.0600 108.6877 -206028.6506 17754.4991 0.0000 0.0000 34166.7540 -149228.0526 298.3868 -183394.8066 -149135.1038 299.8911 -53.0551 -24.0772 557733.6439 0.2256 0.0408 PRESSURE: 3450400 51.5743 -24.6449 12.4827 -24.6425 86.0444 35.9255 12.4817 35.9261 94.4896 GPRESSURE: 3450400 68.1551 -136.405 43.2307 57.9441 145.067 -44.0098 2.9527 108.282 107.906 PRESSAVG: 3450400 50.5298 15.9501 45.1041 15.9501 -38.9983 -4.21321 45.104 -4.21317 -14.4751 GPRESSAVG: 3450400 49.3257 15.6978 45.8761 15.193 -38.6324 -4.22695 45.0569 -4.06978 -13.6137 TIMING: 3450400 CPU: 10016.5, 0.00292897/step Wall: 10016.5, 0.00292897/step, 1.26076 hours remaining, 207.902344 MB of memory in use. ENERGY: 3450400 726.3659 2063.5697 1955.5657 105.1946 -206216.0403 17890.6398 0.0000 0.0000 34140.3589 -149334.3456 298.1562 -183474.7045 -149242.5672 299.3980 77.3694 107.0429 556558.4592 -0.9812 -0.9735 PRESSURE: 3450600 -331.115 -173.805 -13.0655 -173.805 -204.407 20.5864 -13.0652 20.5876 -193.232 GPRESSURE: 3450600 -267.811 -153.313 -0.528842 -192.926 -207.018 56.847 -13.2715 -9.47417 -160.794 PRESSAVG: 3450600 13.0922 -27.3391 8.68833 -27.3391 26.5684 18.7109 8.68836 18.7108 -20.7854 GPRESSAVG: 3450600 12.7872 -26.8794 7.2771 -27.8794 27.7825 18.9129 8.60706 16.845 -21.5016 TIMING: 3450600 CPU: 10017.1, 0.00293439/step Wall: 10017.1, 0.00293439/step, 1.26293 hours remaining, 207.902344 MB of memory in use. ENERGY: 3450600 760.0875 2099.0595 1948.5952 126.7427 -206066.5307 17626.8715 0.0000 0.0000 34486.3824 -149018.7918 301.1782 -183505.1742 -148915.2175 299.7685 -242.9178 -211.8741 559237.9585 6.2917 6.3561 PRESSURE: 3450800 -219.983 -57.6228 36.538 -57.6222 -280.275 -89.7066 36.5382 -89.7054 -342.675 GPRESSURE: 3450800 -216.921 20.9162 -3.13322 -89.8755 -250.195 -51.8792 71.2395 -13.303 -274.167 PRESSAVG: 3450800 -6.44569 17.8094 -6.93326 17.8093 11.9316 -58.0083 -6.93325 -58.0082 19.5649 GPRESSAVG: 3450800 -6.59146 20.1919 -9.25618 18.597 11.7748 -57.2497 -8.38547 -57.3584 20.1856 TIMING: 3450800 CPU: 10017.7, 0.00295322/step Wall: 10017.7, 0.00295322/step, 1.27087 hours remaining, 207.902344 MB of memory in use. ENERGY: 3450800 730.2824 2102.6646 1946.0237 109.9301 -205658.2395 17401.6368 0.0000 0.0000 34125.5966 -149242.1053 298.0273 -183367.7018 -149150.3055 299.7699 -280.9776 -247.0944 559014.7429 8.3503 8.4563 PRESSURE: 3451000 -223.906 -105.796 49.5975 -105.796 -374.112 -53.6435 49.5969 -53.6444 369.898 GPRESSURE: 3451000 -180.753 -114.991 68.9791 -79.4173 -317.523 -168.44 -63.8822 -36.2405 366.949 PRESSAVG: 3451000 2.33532 8.66231 2.02391 8.66221 -93.7645 16.6832 2.0239 16.6832 122.308 GPRESSAVG: 3451000 2.7579 7.33299 4.30699 8.05874 -93.9656 16.6783 3.57512 17.4022 122.624 TIMING: 3451000 CPU: 10018.3, 0.00295445/step Wall: 10018.3, 0.00295445/step, 1.27123 hours remaining, 207.902344 MB of memory in use. ENERGY: 3451000 756.6959 2085.7398 1956.6643 120.8440 -205938.4528 17702.8760 0.0000 0.0000 34254.5099 -149061.1229 299.1532 -183315.6328 -148965.7304 299.0812 -76.0401 -43.7759 557423.1569 10.2930 10.4722 PRESSURE: 3451200 121.555 93.798 168.586 93.7979 149.582 57.5321 168.587 57.5319 -26.1202 GPRESSURE: 3451200 190.638 47.8773 247.575 95.5981 154.071 131.24 125.178 0.387843 0.474441 PRESSAVG: 3451200 -37.9639 65.7591 10.8799 65.7592 -20.1208 10.6127 10.8799 10.6128 46.3705 GPRESSAVG: 3451200 -36.8771 64.2298 12.7287 65.241 -20.9025 10.6957 10.6855 9.48814 46.3416 TIMING: 3451200 CPU: 10018.9, 0.00296417/step Wall: 10018.9, 0.00296417/step, 1.27525 hours remaining, 207.902344 MB of memory in use. ENERGY: 3451200 711.4598 2074.7974 1931.9736 118.4004 -205925.1987 17850.9313 0.0000 0.0000 34180.3268 -149057.3095 298.5053 -183237.6363 -148955.4284 299.5460 81.6721 115.0613 557920.5983 -3.9048 -3.8126 PRESSURE: 3451400 128.864 -53.4416 28.9794 -53.4428 357.741 188.749 28.9799 188.748 24.215 GPRESSURE: 3451400 150.13 -85.9307 138.666 -35.2525 349.751 180.232 -5.93842 132.024 115.703 PRESSAVG: 3451400 -1.34212 7.20229 26.4275 7.20229 42.3086 -31.367 26.4276 -31.367 -40.4788 GPRESSAVG: 3451400 -2.24822 7.52479 27.7861 8.16713 42.4465 -31.8357 25.7329 -28.9922 -39.5265 TIMING: 3451400 CPU: 10019.5, 0.00296432/step Wall: 10019.5, 0.00296432/step, 1.27515 hours remaining, 207.902344 MB of memory in use. ENERGY: 3451400 730.4801 2137.8205 1958.1927 106.6199 -206592.0364 18165.3669 0.0000 0.0000 34327.3792 -149166.1770 299.7895 -183493.5562 -149065.9011 299.0506 170.2733 205.1944 558544.6644 0.1626 0.2239 PRESSURE: 3451600 -97.3144 56.4553 -114.535 56.455 -2.27153 -118.995 -114.536 -118.997 -124.757 GPRESSURE: 3451600 -0.299258 -22.4847 -78.0948 78.2607 29.3024 -108.908 -187.69 -95.1157 -171.478 PRESSAVG: 3451600 25.812 4.57348 18.0435 4.57347 -20.3835 38.2989 18.0435 38.2988 6.17476 GPRESSAVG: 3451600 25.6128 4.17595 13.7438 4.86159 -19.9223 38.224 18.647 36.235 6.05459 TIMING: 3451600 CPU: 10020.1, 0.00294978/step Wall: 10020.1, 0.00294978/step, 1.26873 hours remaining, 207.902344 MB of memory in use. ENERGY: 3451600 760.7348 2101.5344 1969.1381 93.9863 -206124.7791 17715.8273 0.0000 0.0000 34271.2148 -149212.3433 299.2990 -183483.5582 -149118.1802 299.1509 -74.7809 -47.4917 558661.9886 3.8677 3.9150 PRESSURE: 3451800 -113.643 113.576 -82.9832 113.577 -40.015 -74.9302 -82.9847 -74.9289 -151.165 GPRESSURE: 3451800 -60.1968 53.3305 -84.8259 120.375 -19.1891 -107.147 -71.3815 -9.98239 -125.915 PRESSAVG: 3451800 -44.324 42.0704 0.0629201 42.0703 43.001 -37.9345 0.0628637 -37.9345 -17.2962 GPRESSAVG: 3451800 -44.7215 42.2445 0.748816 40.2373 43.8673 -38.2635 1.24905 -35.8516 -18.3169 TIMING: 3451800 CPU: 10020.7, 0.0029198/step Wall: 10020.7, 0.0029198/step, 1.25568 hours remaining, 207.902344 MB of memory in use. ENERGY: 3451800 761.9224 2102.3091 1974.9060 115.2861 -205803.3901 17638.6896 0.0000 0.0000 34046.3871 -149163.8897 297.3356 -183210.2768 -149070.9140 299.4638 -101.6077 -68.4336 558292.6700 -6.2064 -6.3903 PRESSURE: 3452000 -147.541 69.0362 -100.27 69.0374 59.9272 -121.818 -100.27 -121.818 -25.8845 GPRESSURE: 3452000 -111.627 104.713 -58.6788 64.557 69.7963 -61.0043 -106.168 -222.234 28.9443 PRESSAVG: 3452000 -36.1635 4.66014 4.99528 4.66011 -0.529111 -39.3225 4.9952 -39.3225 -20.3376 GPRESSAVG: 3452000 -36.1573 3.8414 6.6119 7.50204 -1.19738 -38.4199 3.98925 -40.1372 -20.0076 TIMING: 3452000 CPU: 10021.3, 0.00291869/step Wall: 10021.3, 0.00291869/step, 1.25504 hours remaining, 207.972656 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: 3452000 776.8362 2092.5484 1924.0775 107.3906 -205783.4834 17666.4688 0.0000 0.0000 34272.7113 -148943.4507 299.3121 -183216.1619 -148847.0421 299.1121 -37.8328 -4.2954 557567.3666 -19.0101 -19.1208 PRESSURE: 3452200 -169.213 22.92 27.3943 22.92 -264.267 116.507 27.3936 116.507 150.136 GPRESSURE: 3452200 -168.135 18.1627 33.6435 74.9248 -197.803 104.824 53.4316 146.357 197.008 PRESSAVG: 3452200 -56.7852 21.4277 23.2569 21.4277 21.0808 -37.7143 23.2569 -37.7143 37.1601 GPRESSAVG: 3452200 -56.1626 26.0222 20.9111 17.8894 21.0295 -39.6134 23.8848 -36.4216 36.3551 TIMING: 3452200 CPU: 10021.8, 0.0029368/step Wall: 10021.8, 0.0029368/step, 1.26266 hours remaining, 207.972656 MB of memory in use. ENERGY: 3452200 743.1307 2097.9674 1966.4608 111.8776 -205732.0491 17678.7526 0.0000 0.0000 34169.5825 -148964.2775 298.4115 -183133.8600 -148868.5505 299.9533 -94.4484 -56.3102 558190.9009 0.4852 0.4073 LDB: ============= START OF LOAD BALANCING ============== 10025.3 LDB: ============== END OF LOAD BALANCING =============== 10025.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10025.3 LDB: ============= START OF LOAD BALANCING ============== 10025.6 LDB: Largest compute 4819 load 0.030721 is 26.1% of average load 0.117797 LDB: Average compute 0.001705 is 1.4% of average load 0.117797 LDB: TIME 10025.6 LOAD: AVG 0.117797 MAX 0.176667 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.59 MB LDB: TIME 10025.6 LOAD: AVG 0.117797 MAX 0.176667 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: TIME 10025.6 LOAD: AVG 0.117797 MAX 0.176667 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10025.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10025.6 PRESSURE: 3452400 -471.23 117.366 34.0179 117.366 123.604 -10.9573 34.0182 -10.9575 -276.963 GPRESSURE: 3452400 -419.258 144.035 10.5171 103.697 147.19 -54.7335 54.6657 29.7578 -260.05 PRESSAVG: 3452400 5.9413 -12.6795 21.5669 -12.6796 -7.28939 1.6256 21.5669 1.62553 -23.1951 GPRESSAVG: 3452400 5.77649 -16.3051 23.8024 -10.9848 -6.3302 2.73343 20.6377 0.751026 -23.1892 TIMING: 3452400 CPU: 10022.4, 0.00299215/step Wall: 10022.4, 0.00299215/step, 1.28629 hours remaining, 204.406250 MB of memory in use. ENERGY: 3452400 705.7079 2101.5621 1936.2700 108.8116 -205785.6896 17293.3590 0.0000 0.0000 34421.2297 -149218.7494 300.6092 -183639.9791 -149119.9912 299.4511 -208.1965 -177.3727 557268.6352 -8.1811 -7.9143 PRESSURE: 3452600 161.267 41.7507 -7.97771 41.7504 -140.353 -153.658 -7.97785 -153.656 22.2192 GPRESSURE: 3452600 190.029 -78.2376 -122.957 125.199 -61.8188 -157.122 69.3844 -180.322 21.0431 PRESSAVG: 3452600 -3.91374 -4.54055 -26.4445 -4.54064 46.9024 -28.8468 -26.4446 -28.8469 -41.1007 GPRESSAVG: 3452600 -3.35024 -3.1201 -27.631 -4.98809 45.7878 -30.1283 -25.5399 -29.1499 -40.9576 TIMING: 3452600 CPU: 10023, 0.00292226/step Wall: 10023, 0.00292226/step, 1.25608 hours remaining, 204.609375 MB of memory in use. ENERGY: 3452600 705.3731 2102.1356 1958.9124 105.6833 -205657.1655 17572.0632 0.0000 0.0000 34231.1491 -148981.8489 298.9491 -183212.9980 -148892.0004 299.4484 14.3777 49.7511 556993.6318 0.6293 0.4933 PRESSURE: 3452800 42.574 -37.1666 -24.3207 -37.1665 32.9972 -29.0116 -24.3209 -29.0113 -27.2701 GPRESSURE: 3452800 103.021 -17.68 0.721849 -38.0335 29.1408 -43.2741 -56.3268 101.919 15.2971 PRESSAVG: 3452800 -26.6794 -16.3921 -24.9781 -16.392 13.3247 27.4215 -24.9781 27.4216 -6.03939 GPRESSAVG: 3452800 -27.4014 -17.3727 -25.0667 -15.8305 14.2037 27.7657 -25.3424 29.7239 -6.38445 TIMING: 3452800 CPU: 10023.6, 0.00296199/step Wall: 10023.6, 0.00296199/step, 1.273 hours remaining, 204.609375 MB of memory in use. ENERGY: 3452800 723.9663 2098.6871 1945.9480 111.3005 -206064.3987 17754.8548 0.0000 0.0000 34448.4753 -148981.1666 300.8471 -183429.6419 -148878.9934 299.8874 16.1004 49.1530 557628.6968 -6.4647 -6.5274 PRESSURE: 3453000 354.74 199.608 -129.207 199.607 44.2655 -110.666 -129.206 -110.665 -48.6737 GPRESSURE: 3453000 331.285 145.651 -161.215 232.41 110.897 -4.66554 -96.9935 -103.985 12.4286 PRESSAVG: 3453000 30.402 44.2434 16.4083 44.2434 -43.2411 -6.55303 16.4083 -6.55299 -17.5404 GPRESSAVG: 3453000 30.8611 44.1869 16.6625 42.9947 -43.5906 -4.81268 15.8455 -7.56882 -18.0094 TIMING: 3453000 CPU: 10024.2, 0.00293583/step Wall: 10024.2, 0.00293583/step, 1.26159 hours remaining, 204.609375 MB of memory in use. ENERGY: 3453000 740.5169 2060.2255 1979.2403 110.0887 -206477.6108 18098.1447 0.0000 0.0000 34340.4608 -149148.9339 299.9038 -183489.3946 -149057.9028 299.8439 116.7773 151.5368 557848.5748 -10.1265 -10.2463 PRESSURE: 3453200 -126.985 135.263 -75.5159 135.262 -42.9832 -71.1722 -75.516 -71.1721 44.5753 GPRESSURE: 3453200 -89.0084 111.985 -75.6462 152.877 -27.3134 -137.943 -101.259 17.2415 93.8238 PRESSAVG: 3453200 95.0883 1.71528 -16.1827 1.71527 -80.4184 1.86821 -16.1826 1.86803 -15.6303 GPRESSAVG: 3453200 95.1552 3.32469 -15.9976 1.33644 -80.6638 1.58628 -16.3686 1.73579 -15.5383 TIMING: 3453200 CPU: 10024.8, 0.00292536/step Wall: 10024.8, 0.00292536/step, 1.25693 hours remaining, 204.609375 MB of memory in use. ENERGY: 3453200 736.0641 2092.1400 1949.2662 109.4152 -205975.8052 17705.0572 0.0000 0.0000 34316.1649 -149067.6975 299.6916 -183383.8624 -148971.1828 299.3561 -41.7977 -7.4993 559073.5863 -0.3201 -0.3490 PRESSURE: 3453400 -231.633 -24.9199 -80.1351 -24.9201 -25.1863 -30.1034 -80.1358 -30.102 -89.2541 GPRESSURE: 3453400 -177.915 -67.649 -44.5289 53.9803 1.08624 92.588 -20.671 -95.8644 -65.7873 PRESSAVG: 3453400 -17.0054 27.2794 -12.3857 27.2794 49.64 10.8343 -12.3858 10.8344 -47.2608 GPRESSAVG: 3453400 -17.4112 25.7999 -10.8756 28.0392 49.7349 9.73117 -13.3525 10.1409 -46.8129 TIMING: 3453400 CPU: 10025.4, 0.00290788/step Wall: 10025.4, 0.00290788/step, 1.24926 hours remaining, 204.609375 MB of memory in use. ENERGY: 3453400 736.5070 2160.8966 1966.0220 110.3946 -205722.7891 17472.6377 0.0000 0.0000 34202.0099 -149074.3212 298.6947 -183276.3311 -148982.1127 299.2809 -115.3577 -80.8722 558007.6134 -4.8754 -4.8297 PRESSURE: 3453600 -59.126 -23.866 78.9295 -23.8679 152.323 -25.0234 78.9302 -25.0227 -28.9117 GPRESSURE: 3453600 -39.6816 0.48747 136.018 16.0614 212.182 23.8583 -28.0698 -68.0207 -10.6581 PRESSAVG: 3453600 33.8041 7.85422 36.3047 7.85424 -15.0395 29.7078 36.3046 29.7077 -9.18015 GPRESSAVG: 3453600 33.7007 8.98729 33.9416 7.65653 -14.5613 30.4895 38.4801 30.3612 -9.40494 TIMING: 3453600 CPU: 10026, 0.00295051/step Wall: 10026, 0.00295051/step, 1.26741 hours remaining, 204.609375 MB of memory in use. ENERGY: 3453600 715.8017 2078.6669 1960.8143 102.1599 -205981.8390 17671.4385 0.0000 0.0000 34372.2194 -149080.7382 300.1811 -183452.9576 -148988.4075 299.3988 21.4283 53.9473 557663.4062 3.1948 3.2448 PRESSURE: 3453800 168.651 185.073 62.9994 185.073 -36.4615 57.021 63 57.0204 101.241 GPRESSURE: 3453800 228.174 114.998 98.5674 215.477 37.2423 53.3515 -14.6302 108.953 65.7547 PRESSAVG: 3453800 -12.4778 -5.87311 23.3002 -5.87308 -7.5168 59.5683 23.3001 59.5683 44.9944 GPRESSAVG: 3453800 -12.0748 -4.69719 24.8291 -7.08896 -8.33123 59.7063 21.3338 58.07 45.1673 TIMING: 3453800 CPU: 10026.6, 0.00292436/step Wall: 10026.6, 0.00292436/step, 1.25601 hours remaining, 204.609375 MB of memory in use. ENERGY: 3453800 709.4075 2072.7460 1974.9333 117.2912 -205868.2088 17615.7181 0.0000 0.0000 34276.3991 -149101.7136 299.3443 -183378.1127 -149010.1102 299.0023 77.8101 110.3905 557387.3400 8.3333 8.2538 PRESSURE: 3454000 -152.499 48.2502 -98.9524 48.2497 -135.64 -56.4384 -98.9521 -56.4377 -44.9909 GPRESSURE: 3454000 -126.82 38.571 -97.6021 66.0942 -52.3174 82.1327 -68.6411 -76.3745 -66.0173 PRESSAVG: 3454000 -39.8475 48.3779 -16.5752 48.3779 44.9424 -9.69329 -16.5751 -9.69333 -42.7652 GPRESSAVG: 3454000 -40.5765 46.0911 -18.6421 49.0906 45.2339 -10.262 -13.6759 -9.5698 -42.7265 TIMING: 3454000 CPU: 10027.1, 0.00292095/step Wall: 10027.1, 0.00292095/step, 1.25439 hours remaining, 204.609375 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: 3454000 762.6506 2065.9375 1935.3493 98.0321 -206117.3132 17774.8219 0.0000 0.0000 34454.8226 -149025.6992 300.9025 -183480.5218 -148927.0192 299.5655 -111.0432 -81.7184 557278.3340 -12.5568 -12.6897 PRESSURE: 3454200 -210.822 -35.7394 111.617 -35.7391 -8.32761 -148.393 111.617 -148.393 -221.541 GPRESSURE: 3454200 -173.369 -119.521 73.7945 2.11872 36.5053 -181.49 73.7469 -80.5606 -213.92 PRESSAVG: 3454200 -14.8412 -23.7779 -1.38512 -23.7779 -17.8153 -13.7922 -1.38519 -13.7922 49.3654 GPRESSAVG: 3454200 -13.4782 -23.3263 -1.0042 -23.1754 -17.7262 -12.9811 -2.3589 -13.0387 48.6323 TIMING: 3454200 CPU: 10027.7, 0.00292022/step Wall: 10027.7, 0.00292022/step, 1.25391 hours remaining, 204.609375 MB of memory in use. ENERGY: 3454200 785.3460 2110.1042 1949.5771 109.6275 -205641.8232 17612.4992 0.0000 0.0000 34119.8072 -148954.8620 297.9768 -183074.6692 -148863.3118 299.7851 -146.8971 -116.9278 558507.2515 5.5696 5.8093 PRESSURE: 3454400 -132.733 116.321 -19.2382 116.321 -151.347 -83.7069 -19.239 -83.7055 -181.927 GPRESSURE: 3454400 -68.0032 7.37349 -8.87804 103.204 -108.566 -106.321 -76.8689 -90.743 -179.684 PRESSAVG: 3454400 17.2406 -25.6876 -22.6105 -25.6874 -1.18604 -21.8745 -22.6106 -21.8746 -23.5869 GPRESSAVG: 3454400 17.2238 -27.079 -22.2974 -24.7194 -1.09348 -23.7506 -23.3354 -21.4117 -23.2982 TIMING: 3454400 CPU: 10028.3, 0.00291589/step Wall: 10028.3, 0.00291589/step, 1.25189 hours remaining, 204.609375 MB of memory in use. ENERGY: 3454400 734.1764 2101.3996 1951.4300 110.9045 -205877.8249 17516.0020 0.0000 0.0000 34352.6473 -149111.2651 300.0102 -183463.9124 -149015.3164 299.8237 -155.3359 -118.7512 557350.8632 -2.5108 -2.3893 PRESSURE: 3454600 153.101 -42.0776 122.092 -42.0783 -98.9822 41.0758 122.092 41.0767 -26.1746 GPRESSURE: 3454600 128.773 -38.2764 109.915 -46.0067 -55.8367 119.496 158.508 -38.5298 60.9096 PRESSAVG: 3454600 33.8675 -23.9255 38.3205 -23.9255 -7.38294 -21.861 38.3206 -21.8611 -8.29371 GPRESSAVG: 3454600 32.7121 -20.498 39.7264 -23.8336 -6.90223 -20.9588 38.5475 -21.2977 -7.87418 TIMING: 3454600 CPU: 10028.9, 0.00291416/step Wall: 10028.9, 0.00291416/step, 1.25098 hours remaining, 204.609375 MB of memory in use. ENERGY: 3454600 741.4385 2071.4484 1958.9354 92.9147 -205927.7781 17695.1431 0.0000 0.0000 34238.6502 -149129.2478 299.0146 -183367.8981 -149030.0513 299.5195 9.3146 44.6152 556878.2493 6.0636 5.9786 PRESSURE: 3454800 205.354 87.0706 -27.6395 87.0716 -146.684 112.478 -27.6387 112.478 235.499 GPRESSURE: 3454800 272.458 39.0576 -13.8245 122.938 -118.75 108.377 -53.102 111.081 257.86 PRESSAVG: 3454800 -10.629 15.3404 -16.4097 15.3404 -7.09994 1.77737 -16.4098 1.7773 -7.83048 GPRESSAVG: 3454800 -9.19056 13.4475 -19.1812 14.9879 -8.6622 1.09404 -15.3271 -1.56616 -8.02212 TIMING: 3454800 CPU: 10029.5, 0.00291364/step Wall: 10029.5, 0.00291364/step, 1.2506 hours remaining, 204.609375 MB of memory in use. ENERGY: 3454800 718.3188 2040.9885 1922.4141 114.5048 -205891.0247 17856.4720 0.0000 0.0000 34296.5431 -148941.7833 299.5202 -183238.3264 -148849.5222 299.2923 98.0565 137.1892 557856.5028 -8.5198 -8.6250 PRESSURE: 3455000 251.12 128.593 -15.7552 128.593 349.524 -83.2201 -15.7562 -83.2206 130.038 GPRESSURE: 3455000 281.612 86.2314 -50.3779 128.849 371.324 -73.5856 -66.436 -96.2737 167.702 PRESSAVG: 3455000 -24.3295 35.4573 33.4502 35.4573 33.238 -4.27689 33.4502 -4.27694 -26.3502 GPRESSAVG: 3455000 -26.0041 35.2421 36.1271 36.4877 34.223 -4.52008 30.759 -0.468733 -25.906 TIMING: 3455000 CPU: 10030.1, 0.00292572/step Wall: 10030.1, 0.00292572/step, 1.25562 hours remaining, 204.609375 MB of memory in use. ENERGY: 3455000 718.0054 2069.9997 1959.1514 117.4926 -206088.9589 18036.9920 0.0000 0.0000 34401.2811 -148786.0368 300.4349 -183187.3178 -148695.1723 300.4019 243.5608 273.5459 555478.3869 -5.8139 -5.8957 PRESSURE: 3455200 -116.398 -81.0036 133.175 -81.0039 128.836 24.7318 133.176 24.7326 -79.4658 GPRESSURE: 3455200 -51.149 -128.282 45.0493 -72.705 124.641 1.16264 175.438 57.6211 -43.2783 PRESSAVG: 3455200 1.15179 -3.80335 -13.0004 -3.80336 77.515 -9.89979 -13.0004 -9.89981 -53.5295 GPRESSAVG: 3455200 1.74415 -3.1545 -12.7818 -5.11779 77.7406 -10.0342 -11.928 -12.4124 -55.0174 TIMING: 3455200 CPU: 10030.6, 0.00291677/step Wall: 10030.6, 0.00291677/step, 1.25162 hours remaining, 204.609375 MB of memory in use. ENERGY: 3455200 723.4224 2114.6159 1957.7193 103.3819 -205707.8064 17624.5393 0.0000 0.0000 34241.4259 -148942.7018 299.0389 -183184.1277 -148842.7227 300.8095 -22.3427 10.0711 557461.6956 8.3791 8.1558 PRESSURE: 3455400 -326.766 56.9372 29.9579 56.9375 -195.184 218.801 29.9575 218.799 -129.414 GPRESSURE: 3455400 -312.362 -6.61641 78.3899 90.3518 -146.774 258.281 41.9275 192.028 -94.5982 PRESSAVG: 3455400 25.9882 21.565 20.4176 21.565 -77.0122 -0.70877 20.4177 -0.708796 -0.163333 GPRESSAVG: 3455400 26.1818 21.9156 20.8236 21.2665 -77.1698 0.722628 19.6655 -1.57593 -0.275401 TIMING: 3455400 CPU: 10031.2, 0.00290819/step Wall: 10031.2, 0.00290819/step, 1.24777 hours remaining, 204.609375 MB of memory in use. ENERGY: 3455400 772.7060 2105.2566 1981.0604 119.2467 -205832.5890 17431.6744 0.0000 0.0000 34284.8051 -149137.8398 299.4177 -183422.6449 -149041.3653 299.7124 -217.1212 -184.5780 557046.0013 -17.0624 -17.0878 PRESSURE: 3455600 -17.2547 153.743 -67.8441 153.743 21.9249 85.3388 -67.8426 85.3389 -244.733 GPRESSURE: 3455600 33.6668 195.69 -87.5792 59.3443 40.0634 -6.43735 -92.6861 111.592 -223.355 PRESSAVG: 3455600 -5.19391 82.3029 -53.7868 82.3029 67.5512 0.712472 -53.7868 0.712409 4.38866 GPRESSAVG: 3455600 -5.904 81.782 -55.2745 81.105 67.6895 0.585214 -52.7855 0.230281 4.72612 TIMING: 3455600 CPU: 10031.8, 0.00291518/step Wall: 10031.8, 0.00291518/step, 1.25061 hours remaining, 204.609375 MB of memory in use. ENERGY: 3455600 740.7955 2127.2859 1968.3899 126.0596 -206102.0937 17694.7044 0.0000 0.0000 34226.2275 -149218.6309 298.9062 -183444.8584 -149120.1426 300.2182 -80.0210 -49.8751 556637.4764 22.2486 22.1705 PRESSURE: 3455800 -128.568 -9.0197 -145.852 -9.01959 130.293 57.2743 -145.851 57.274 -164.902 GPRESSURE: 3455800 -98.1599 -128.706 -148.927 25.8168 207.294 115.447 -147.427 -24.2774 -167.564 PRESSAVG: 3455800 -3.35202 -8.01773 -53.6651 -8.01776 57.8065 25.587 -53.6651 25.587 -74.0973 GPRESSAVG: 3455800 -2.92594 -9.02772 -52.9853 -4.96137 57.3196 26.7754 -54.3247 26.1549 -73.8107 TIMING: 3455800 CPU: 10032.4, 0.00289517/step Wall: 10032.4, 0.00289517/step, 1.24187 hours remaining, 204.609375 MB of memory in use. ENERGY: 3455800 746.7208 2089.4757 1947.2097 119.6353 -205993.4184 17703.6849 0.0000 0.0000 34261.4008 -149125.2913 299.2133 -183386.6921 -149025.8740 299.3880 -54.3923 -19.4768 558028.7939 -6.5476 -6.4723 PRESSURE: 3456000 83.4499 -16.6905 -127.304 -16.69 -110.609 67.1754 -127.302 67.1746 -37.4758 GPRESSURE: 3456000 107.712 -73.2106 -189.421 28.2243 -66.6034 11.7563 -53.8353 171.114 -3.43445 PRESSAVG: 3456000 -60.0442 -13.3191 57.2341 -13.3191 45.7898 51.7191 57.234 51.7192 1.14137 GPRESSAVG: 3456000 -59.1447 -14.1349 55.2864 -13.3699 45.6858 50.8794 57.7804 53.0855 -0.20907 TIMING: 3456000 CPU: 10033, 0.00292034/step Wall: 10033, 0.00292034/step, 1.2525 hours remaining, 204.609375 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: 3456000 763.7953 2074.1682 1971.7832 120.7173 -206280.5819 17926.2100 0.0000 0.0000 34264.7266 -149159.1812 299.2424 -183423.9079 -149061.7689 298.5349 -21.5450 12.5580 558236.3737 -4.3710 -4.5560 PRESSURE: 3456200 -36.4536 77.5916 71.7468 77.5926 30.5661 -300.327 71.7466 -300.326 -318.451 GPRESSURE: 3456200 -8.96137 -7.19929 58.5575 126.721 40.1011 -321.584 96.4966 -349.323 -263.299 PRESSAVG: 3456200 -89.8157 22.5065 32.0074 22.5066 20.3008 -38.1973 32.0074 -38.1972 20.5401 GPRESSAVG: 3456200 -90.5967 24.5201 32.411 20.3118 19.4812 -37.5667 34.6895 -39.4507 22.1982 TIMING: 3456200 CPU: 10033.6, 0.00293977/step Wall: 10033.6, 0.00293977/step, 1.26067 hours remaining, 204.609375 MB of memory in use. ENERGY: 3456200 746.6260 2072.3661 1952.1661 115.2647 -205895.8426 17575.5537 0.0000 0.0000 34232.1044 -149201.7615 298.9575 -183433.8659 -149108.0176 299.5519 -108.1129 -77.3864 559162.2728 -16.3249 -16.3058 LDB: ============= START OF LOAD BALANCING ============== 10037 LDB: ============== END OF LOAD BALANCING =============== 10037 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037 LDB: ============= START OF LOAD BALANCING ============== 10037.3 LDB: Largest compute 4819 load 0.030429 is 25.8% of average load 0.117786 LDB: Average compute 0.001713 is 1.5% of average load 0.117786 LDB: TIME 10037.3 LOAD: AVG 0.117786 MAX 0.179342 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.918 MB LDB: TIME 10037.3 LOAD: AVG 0.117786 MAX 0.179342 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: TIME 10037.3 LOAD: AVG 0.117786 MAX 0.179342 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.016 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10037.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10037.3 PRESSURE: 3456400 5.48473 -26.1266 -97.5571 -26.1266 4.95969 175.393 -97.5567 175.392 47.8548 GPRESSURE: 3456400 67.026 -47.0818 -56.4459 -50.5369 53.8196 110.027 -89.9724 233.098 33.9849 PRESSAVG: 3456400 -48.2358 2.50301 -26.3479 2.50295 100.636 13.9493 -26.3479 13.9493 -53.5294 GPRESSAVG: 3456400 -46.7856 2.93804 -25.4233 3.26466 100.698 13.6605 -28.1076 14.7272 -54.843 TIMING: 3456400 CPU: 10034.1, 0.00297334/step Wall: 10034.1, 0.00297334/step, 1.2749 hours remaining, 206.917969 MB of memory in use. ENERGY: 3456400 727.7421 2121.3488 1938.1386 110.9647 -206128.7726 17874.6549 0.0000 0.0000 34264.6197 -149091.3038 299.2414 -183355.9235 -148990.9133 299.7878 19.4331 51.6102 557317.6854 -0.3762 -0.3101 PRESSURE: 3456600 -218.812 14.7699 -94.1873 14.7699 -322.754 -27.165 -94.1883 -27.1652 -159.158 GPRESSURE: 3456600 -185.56 37.9737 -96.6069 -46.9074 -304.271 7.83639 -34.3519 -21.3192 -120.649 PRESSAVG: 3456600 -17.8431 -28.2901 -3.35882 -28.2901 -48.832 21.1129 -3.35882 21.1128 80.6555 GPRESSAVG: 3456600 -18.9143 -29.5374 -2.83637 -27.1224 -49.0687 20.5089 -2.76091 20.3035 81.3588 TIMING: 3456600 CPU: 10034.7, 0.00293111/step Wall: 10034.7, 0.00293111/step, 1.25663 hours remaining, 206.917969 MB of memory in use. ENERGY: 3456600 748.6041 2137.7258 1932.0623 104.9402 -206172.6464 17606.5009 0.0000 0.0000 34404.8441 -149237.9690 300.4661 -183642.8132 -149140.8978 299.5604 -233.5746 -203.4933 558769.1577 4.6601 4.4586 PRESSURE: 3456800 22.129 -100.798 29.8722 -100.798 314.231 -67.6034 29.8712 -67.6023 30.0391 GPRESSURE: 3456800 42.1974 -85.5161 -12.1943 -53.199 319.186 106.645 87.9607 -165.441 98.499 PRESSAVG: 3456800 -6.67632 -38.6113 -7.47365 -38.6113 -25.9713 -66.5367 -7.47375 -66.5368 24.3941 GPRESSAVG: 3456800 -6.79517 -36.1636 -8.38744 -39.1074 -25.2441 -66.4025 -7.59045 -65.806 23.731 TIMING: 3456800 CPU: 10035.3, 0.00291583/step Wall: 10035.3, 0.00291583/step, 1.24992 hours remaining, 206.917969 MB of memory in use. ENERGY: 3456800 736.0316 2163.2535 1942.0857 97.2958 -206527.2510 17998.7553 0.0000 0.0000 34189.8340 -149399.9951 298.5883 -183589.8291 -149303.4915 297.9548 122.1331 153.2942 556898.3336 -2.7512 -2.7694 PRESSURE: 3457000 5.50631 -12.2717 7.4808 -12.2711 -202.161 -22.2836 7.48135 -22.2826 -26.3767 GPRESSURE: 3457000 24.71 11.1091 -34.2827 28.4816 -125.519 28.6621 9.77545 5.16026 -20.5083 PRESSAVG: 3457000 -5.73298 -37.1943 14.6535 -37.1943 16.105 -3.27962 14.6535 -3.27959 -40.6602 GPRESSAVG: 3457000 -5.80507 -36.4746 14.1793 -37.8744 15.6628 -3.09126 13.1456 -2.25006 -40.6417 TIMING: 3457000 CPU: 10035.9, 0.00294234/step Wall: 10035.9, 0.00294234/step, 1.26112 hours remaining, 206.917969 MB of memory in use. ENERGY: 3457000 716.5895 2052.9060 1957.7049 104.2075 -206296.5718 17705.8115 0.0000 0.0000 34174.5404 -149584.8120 298.4548 -183759.3524 -149486.4258 298.1068 -74.3438 -40.4390 557195.6741 -10.0961 -10.2613 PRESSURE: 3457200 -23.3539 -0.638839 -30.0644 -0.639739 -203.114 3.45845 -30.0658 3.45964 -100.577 GPRESSURE: 3457200 -54.5075 -47.2552 -126.846 -40.9049 -144.193 -23.2812 -2.67004 47.6508 -25.9772 PRESSAVG: 3457200 -30.492 -10.121 -11.441 -10.121 32.586 -41.2717 -11.441 -41.2716 -26.0676 GPRESSAVG: 3457200 -30.8261 -11.1336 -10.865 -11.103 31.8278 -40.8227 -12.4198 -44.1572 -24.7231 TIMING: 3457200 CPU: 10036.5, 0.00291018/step Wall: 10036.5, 0.00291018/step, 1.24717 hours remaining, 206.917969 MB of memory in use. ENERGY: 3457200 779.0795 2089.1232 1938.5111 106.0023 -205969.9365 17599.0442 0.0000 0.0000 34070.1449 -149388.0313 297.5430 -183458.1763 -149291.8970 298.4233 -109.0149 -74.8925 557723.6516 -7.9912 -7.9071 PRESSURE: 3457400 -251.075 40.3166 -66.8195 40.3169 -167.667 -193.007 -66.8192 -193.007 -94.8814 GPRESSURE: 3457400 -181.309 32.7879 -73.5621 63.5595 -157.115 -183.955 -68.8346 -218.192 -77.3672 PRESSAVG: 3457400 -26.1168 8.79617 -14.463 8.7961 -53.5269 -58.3167 -14.463 -58.3168 41.768 GPRESSAVG: 3457400 -26.506 8.14603 -12.9005 10.6476 -52.5719 -59.0811 -13.9068 -58.334 40.8309 TIMING: 3457400 CPU: 10037.1, 0.0029343/step Wall: 10037.1, 0.0029343/step, 1.25735 hours remaining, 206.917969 MB of memory in use. ENERGY: 3457400 753.1422 2104.1597 1935.0802 116.8550 -206014.1342 17668.8353 0.0000 0.0000 34171.2204 -149264.8414 298.4258 -183436.0618 -149171.7542 299.2710 -171.2077 -138.5969 559157.6748 -12.6252 -12.7490 PRESSURE: 3457600 98.9783 35.2364 -162.46 35.2358 -43.4885 41.7948 -162.461 41.7946 138.092 GPRESSURE: 3457600 105.734 58.6629 -156.404 22.4859 5.19493 64.4055 -119.99 45.3339 180.208 PRESSAVG: 3457600 36.0816 10.24 35.6282 10.24 -56.2202 -36.3475 35.6282 -36.3476 13.6195 GPRESSAVG: 3457600 35.7896 11.1079 32.509 8.74991 -56.5982 -35.5434 36.5809 -36.3183 14.635 TIMING: 3457600 CPU: 10037.7, 0.00292248/step Wall: 10037.7, 0.00292248/step, 1.25212 hours remaining, 206.917969 MB of memory in use. ENERGY: 3457600 752.9873 2105.5719 1963.3288 106.6585 -206240.0697 17882.2319 0.0000 0.0000 34340.5187 -149088.7726 299.9043 -183429.2913 -148985.6876 299.6829 64.5272 97.0457 557239.1462 -2.1731 -2.0579 PRESSURE: 3457800 -14.1076 47.7359 36.0466 47.737 310.367 -28.3011 36.047 -28.3008 -27.8032 GPRESSURE: 3457800 -46.9383 13.3235 51.3847 45.748 374.495 -100.839 8.00419 40.9103 52.832 PRESSAVG: 3457800 35.2881 3.05526 45.3406 3.05534 -86.7301 15.7676 45.3407 15.7674 38.3538 GPRESSAVG: 3457800 36.2739 3.47666 46.152 1.50858 -86.1032 13.419 44.7958 16.7951 36.9229 TIMING: 3457800 CPU: 10038.2, 0.00290542/step Wall: 10038.2, 0.00290542/step, 1.24465 hours remaining, 206.917969 MB of memory in use. ENERGY: 3457800 748.5267 2111.1065 1966.7226 105.0974 -206108.7662 17928.9423 0.0000 0.0000 34288.3706 -148960.0001 299.4489 -183248.3707 -148869.8187 299.8155 89.4854 126.7963 555798.5321 -4.3627 -4.3021 PRESSURE: 3458000 80.5977 95.3013 16.0207 95.3015 -212.704 -17.6144 16.0205 -17.6154 -288.044 GPRESSURE: 3458000 139.931 65.7223 2.61208 97.1829 -216.007 50.6187 59.8657 -33.0919 -233.07 PRESSAVG: 3458000 -8.05388 74.4255 8.33991 74.4256 12.0104 3.33622 8.33993 3.33621 -5.6365 GPRESSAVG: 3458000 -8.9091 73.6477 9.50066 76.3375 12.8593 5.19425 5.87546 1.78731 -5.53176 TIMING: 3458000 CPU: 10038.8, 0.00290964/step Wall: 10038.8, 0.00290964/step, 1.2463 hours remaining, 206.917969 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: 3458000 776.7963 2093.8587 1985.5822 111.2408 -206074.3170 17624.5370 0.0000 0.0000 34483.5693 -148998.7326 301.1536 -183482.3020 -148906.3272 300.6005 -140.0501 -103.0484 557502.3078 -0.5600 -0.5272 PRESSURE: 3458200 -69.1618 23.5602 51.1529 23.5595 -143.33 -91.7955 51.1534 -91.7955 37.4833 GPRESSURE: 3458200 -39.0888 19.1389 -57.6389 85.7017 -140.834 -101.206 88.0773 -156.864 80.0042 PRESSAVG: 3458200 10.5714 0.188195 80.4092 0.188133 4.03361 -25.038 80.4092 -25.0379 10.194 GPRESSAVG: 3458200 9.96379 -1.71632 81.3171 -0.517047 3.43081 -24.5411 81.3231 -24.675 10.966 TIMING: 3458200 CPU: 10039.4, 0.00292335/step Wall: 10039.4, 0.00292335/step, 1.25201 hours remaining, 206.917969 MB of memory in use. ENERGY: 3458200 757.9122 2083.3867 1979.7461 121.5067 -205856.2552 17584.5042 0.0000 0.0000 34271.9649 -149057.2345 299.3056 -183329.1994 -148963.6847 300.3146 -58.3361 -33.3063 558496.5809 8.2663 8.1202 PRESSURE: 3458400 -111.691 82.9022 -126.313 82.9013 -13.462 -12.3708 -126.313 -12.3692 -113.471 GPRESSURE: 3458400 -34.5887 6.62044 -131.46 122.116 21.2986 31.7416 -96.9713 36.8415 -124.284 PRESSAVG: 3458400 69.2838 19.12 -33.0929 19.12 -56.7598 -31.2884 -33.093 -31.2883 -50.9801 GPRESSAVG: 3458400 69.3279 20.2009 -35.059 19.9396 -57.0464 -33.9126 -32.7037 -29.5936 -50.9486 TIMING: 3458400 CPU: 10040, 0.0029174/step Wall: 10040, 0.0029174/step, 1.2493 hours remaining, 206.917969 MB of memory in use. ENERGY: 3458400 744.4222 2044.6248 1986.7540 120.0670 -206070.0670 17799.9599 0.0000 0.0000 34357.6190 -149016.6201 300.0536 -183374.2391 -148915.4864 299.9347 -79.5411 -45.8579 559231.4995 -12.8187 -12.8891 PRESSURE: 3458600 -30.4725 71.1008 -90.5134 71.101 207.581 -157.28 -90.5138 -157.278 -252.628 GPRESSURE: 3458600 13.9964 43.8631 44.4024 36.5324 265.773 -64.5124 -210.966 -151.112 -250.607 PRESSAVG: 3458600 1.20546 20.0164 -47.8438 20.0164 -4.61721 26.1909 -47.8438 26.191 -73.1886 GPRESSAVG: 3458600 2.34476 18.167 -46.3887 20.6636 -5.25621 28.5269 -46.8414 24.4324 -73.8458 TIMING: 3458600 CPU: 10040.6, 0.00293651/step Wall: 10040.6, 0.00293651/step, 1.25731 hours remaining, 206.917969 MB of memory in use. ENERGY: 3458600 733.3211 2081.9169 1993.0728 126.9403 -206052.2732 17773.9013 0.0000 0.0000 34382.7379 -148960.3830 300.2730 -183343.1208 -148864.0825 300.2742 -25.1733 9.7210 557154.7519 -25.5334 -25.5857 PRESSURE: 3458800 8.70362 56.2191 -158.935 56.2207 -18.2524 72.8176 -158.935 72.8177 -231.384 GPRESSURE: 3458800 48.2984 14.1045 -215.099 35.3622 18.5205 6.28463 -135.149 71.7321 -215.848 PRESSAVG: 3458800 34.1875 19.5371 -33.454 19.5371 -3.68305 21.6319 -33.4539 21.6319 -17.1741 GPRESSAVG: 3458800 33.593 22.5353 -35.4576 17.3201 -3.58613 21.0876 -34.1426 22.3132 -17.094 TIMING: 3458800 CPU: 10041.2, 0.00294053/step Wall: 10041.2, 0.00294053/step, 1.25887 hours remaining, 206.917969 MB of memory in use. ENERGY: 3458800 738.1469 2059.9699 1973.4211 123.5622 -205784.7937 17600.5965 0.0000 0.0000 34257.7304 -149031.3668 299.1813 -183289.0971 -148926.7432 300.0707 -80.3110 -49.6763 558985.4629 4.4435 4.3043 PRESSURE: 3459000 37.1175 48.0129 56.6117 48.013 314.31 90.8517 56.6115 90.8532 -173.985 GPRESSURE: 3459000 97.8389 12.66 45.3653 37.8305 328.403 -5.29766 56.4773 187.592 -157.295 PRESSAVG: 3459000 18.7319 -25.9202 7.42873 -25.9202 55.8321 59.7666 7.42865 59.7666 -73.9088 GPRESSAVG: 3459000 18.5384 -27.2739 10.2367 -23.3827 55.9892 57.9299 7.75999 60.0522 -73.6155 TIMING: 3459000 CPU: 10041.8, 0.00294243/step Wall: 10041.8, 0.00294243/step, 1.25952 hours remaining, 206.917969 MB of memory in use. ENERGY: 3459000 739.5993 2070.5549 1969.4335 113.0508 -206231.1948 17876.1128 0.0000 0.0000 34412.7959 -149049.6478 300.5355 -183462.4436 -148948.2848 299.9003 59.1476 89.6489 559220.2755 0.2184 0.3041 PRESSURE: 3459200 -55.058 -34.0563 -40.611 -34.0555 -32.9292 80.4271 -40.6121 80.4258 -109.357 GPRESSURE: 3459200 -33.9378 -56.8578 -17.8018 37.3236 -33.2386 168.233 -37.2083 118.82 -37.6603 PRESSAVG: 3459200 -4.25858 -40.0859 -17.9596 -40.0859 -23.0239 41.421 -17.9595 41.4209 -10.8812 GPRESSAVG: 3459200 -4.32906 -39.6238 -18.0291 -39.7969 -24.2881 42.554 -18.4398 39.4196 -9.88364 TIMING: 3459200 CPU: 10042.3, 0.00293285/step Wall: 10042.3, 0.00293285/step, 1.25526 hours remaining, 206.917969 MB of memory in use. ENERGY: 3459200 739.1133 2095.5627 1978.5123 125.7857 -206244.3624 17885.5204 0.0000 0.0000 34231.4431 -149188.4248 298.9517 -183419.8679 -149081.4890 299.5423 -65.7814 -34.9456 558797.1673 -12.7212 -12.8336 PRESSURE: 3459400 -155.88 106.258 -6.35882 106.258 -93.2857 -49.3923 -6.35844 -49.3932 -110.053 GPRESSURE: 3459400 -108.168 49.2681 -2.03392 154.096 -84.8266 -20.4265 12.7621 -19.7282 -73.1234 PRESSAVG: 3459400 -10.6263 67.9885 -20.9176 67.9885 23.6616 -35.1788 -20.9177 -35.1789 -18.0926 GPRESSAVG: 3459400 -10.4736 68.8937 -22.5875 66.7764 25.2368 -34.6799 -20.9795 -34.402 -19.2341 TIMING: 3459400 CPU: 10042.9, 0.00291889/step Wall: 10042.9, 0.00291889/step, 1.24912 hours remaining, 206.917969 MB of memory in use. ENERGY: 3459400 754.1556 2071.9862 1965.1453 112.1128 -206198.5200 17825.2787 0.0000 0.0000 34389.8991 -149079.9423 300.3355 -183469.8414 -148982.2836 299.4458 -119.7394 -88.7059 558714.5677 -1.6858 -1.4903 PRESSURE: 3459600 78.3003 -52.4545 11.7459 -52.4547 63.7552 -55.8372 11.7464 -55.8368 170.009 GPRESSURE: 3459600 120.261 -20.1464 -4.7061 -89.3715 103.106 -57.4386 27.2596 -78.0373 193.838 PRESSAVG: 3459600 -20.4971 32.8966 3.16298 32.8967 2.00158 66.9794 3.16294 66.9793 14.2038 GPRESSAVG: 3459600 -20.2754 32.1304 5.1657 32.0962 2.37397 66.0371 3.36068 67.4629 13.5373 TIMING: 3459600 CPU: 10043.5, 0.00292438/step Wall: 10043.5, 0.00292438/step, 1.25131 hours remaining, 207.023438 MB of memory in use. ENERGY: 3459600 812.8991 2114.5826 1953.7930 123.2801 -206396.7849 18029.7739 0.0000 0.0000 34154.4908 -149207.9654 298.2797 -183362.4562 -149119.1321 299.3614 104.0216 139.0684 557951.6056 -1.4306 -1.4547 PRESSURE: 3459800 -111.838 89.303 -4.52023 89.3031 87.3218 -47.7295 -4.52035 -47.7297 36.9032 GPRESSURE: 3459800 -1.46386 59.1803 69.6441 52.9853 79.0636 -47.248 -31.5662 -54.1785 24.4151 PRESSAVG: 3459800 16.3728 -17.1317 -27.2294 -17.1317 -19.9308 26.1431 -27.2294 26.1432 -2.44363 GPRESSAVG: 3459800 16.5611 -18.7683 -28.2178 -15.3813 -21.0779 26.9946 -28.5283 25.5007 -1.61682 TIMING: 3459800 CPU: 10044.1, 0.00296165/step Wall: 10044.1, 0.00296165/step, 1.26709 hours remaining, 207.023438 MB of memory in use. ENERGY: 3459800 714.4176 2112.0649 1967.9183 113.8503 -206496.7466 17946.1887 0.0000 0.0000 34278.0683 -149364.2384 299.3589 -183642.3067 -149268.4782 299.3313 4.1288 34.0050 557161.4323 -2.0005 -2.0445 PRESSURE: 3460000 -439.824 93.1338 -15.5426 93.1355 -381.667 188.549 -15.5421 188.55 -420.064 GPRESSURE: 3460000 -391.542 124.701 2.65964 157.374 -397.458 205.581 1.7757 217.651 -351.006 PRESSAVG: 3460000 -7.80601 -35.7636 -4.5157 -35.7636 73.1618 22.4827 -4.51573 22.4826 -28.8128 GPRESSAVG: 3460000 -8.2914 -32.7648 -3.96716 -36.9791 74.0932 22.7876 -4.92156 21.2664 -29.581 TIMING: 3460000 CPU: 10044.7, 0.00293898/step Wall: 10044.7, 0.00293898/step, 1.25723 hours remaining, 207.023438 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: 3460000 753.2133 2067.2475 1959.4620 112.5515 -205814.6092 17266.9943 0.0000 0.0000 34251.1422 -149403.9985 299.1237 -183655.1407 -149301.2836 298.5758 -413.8518 -380.0018 559375.6577 12.1810 12.0736 PRESSURE: 3460200 16.3353 -50.2951 -84.1797 -50.2955 -181.87 -62.4896 -84.1809 -62.4888 -74.7794 GPRESSURE: 3460200 28.8088 -77.6347 -6.76122 -26.016 -169.113 -16.3717 -49.7206 15.3174 -7.57331 PRESSAVG: 3460200 -5.01127 9.7758 -13.3788 9.77577 58.4486 33.2097 -13.3787 33.2098 -97.2488 GPRESSAVG: 3460200 -5.80511 8.42729 -12.5443 9.06528 57.9935 32.3934 -12.4165 35.2356 -96.3673 TIMING: 3460200 CPU: 10045.3, 0.00296289/step Wall: 10045.3, 0.00296289/step, 1.26729 hours remaining, 207.023438 MB of memory in use. ENERGY: 3460200 768.3424 2047.9026 1968.0725 110.2333 -206429.8483 17881.0665 0.0000 0.0000 34199.5035 -149454.7274 298.6728 -183654.2309 -149364.8396 298.6604 -80.1048 -49.2924 558952.4577 -14.6039 -14.7263 LDB: ============= START OF LOAD BALANCING ============== 10048.8 LDB: ============== END OF LOAD BALANCING =============== 10048.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10048.8 LDB: ============= START OF LOAD BALANCING ============== 10049 LDB: Largest compute 4820 load 0.031515 is 26.8% of average load 0.117769 LDB: Average compute 0.001711 is 1.5% of average load 0.117769 LDB: TIME 10049 LOAD: AVG 0.117769 MAX 0.177467 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.785 MB LDB: TIME 10049 LOAD: AVG 0.117769 MAX 0.177467 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.984 MB LDB: TIME 10049 LOAD: AVG 0.117769 MAX 0.177467 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.984 MB LDB: ============== END OF LOAD BALANCING =============== 10049.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10049.1 PRESSURE: 3460400 -32.4739 185.769 -197.251 185.768 4.90714 25.4878 -197.251 25.4901 -350.249 GPRESSURE: 3460400 -72.2638 230.39 -174.672 162.442 45.6757 7.36177 -235.596 87.7707 -256.455 PRESSAVG: 3460400 47.1495 45.5258 -9.23215 45.5258 -21.2212 20.1123 -9.23213 20.1125 -7.72852 GPRESSAVG: 3460400 46.2521 46.5231 -12.7002 44.4875 -21.8058 19.7338 -7.50083 19.4094 -5.98015 TIMING: 3460400 CPU: 10045.9, 0.00299199/step Wall: 10045.9, 0.00299199/step, 1.27958 hours remaining, 205.121094 MB of memory in use. ENERGY: 3460400 739.4025 2084.1163 1953.3818 117.9749 -206151.5734 17647.6455 0.0000 0.0000 34317.8636 -149291.1888 299.7064 -183609.0525 -149199.6872 298.8625 -125.9385 -94.3477 558616.2216 6.0666 6.1554 PRESSURE: 3460600 -165.457 21.4288 18.7751 21.429 -108.651 126.356 18.7755 126.357 130.801 GPRESSURE: 3460600 -166.71 29.879 16.9687 9.75241 -59.0905 104.952 26.7542 150.892 174.55 PRESSAVG: 3460600 24.6611 53.9908 -5.8459 53.9908 -131.485 18.091 -5.84589 18.0909 109.127 GPRESSAVG: 3460600 26.0244 53.005 -5.72656 54.8468 -130.947 19.8162 -6.59996 16.344 106.602 TIMING: 3460600 CPU: 10046.5, 0.00293323/step Wall: 10046.5, 0.00293323/step, 1.25428 hours remaining, 205.121094 MB of memory in use. ENERGY: 3460600 721.7342 2029.1287 1936.6568 109.7382 -205909.3378 17656.2762 0.0000 0.0000 34127.7712 -149328.0324 298.0463 -183455.8036 -149233.3179 298.9269 -47.7690 -17.0837 557214.3563 0.7676 0.5600 PRESSURE: 3460800 -48.0151 233.617 32.755 233.617 -182.748 56.6082 32.7542 56.6085 -52.5438 GPRESSURE: 3460800 12.9938 229.556 74.1045 249.831 -173.769 47.3928 31.5002 71.1417 -21.3427 PRESSAVG: 3460800 -8.79162 55.9575 2.80314 55.9575 -27.9253 -17.9028 2.8032 -17.9028 -3.12721 GPRESSAVG: 3460800 -9.18968 57.325 2.11232 56.8473 -29.3534 -20.519 3.26848 -15.859 -1.41223 TIMING: 3460800 CPU: 10047, 0.00291988/step Wall: 10047, 0.00291988/step, 1.24841 hours remaining, 205.121094 MB of memory in use. ENERGY: 3460800 758.2223 2108.5636 1957.9985 106.3289 -205953.6602 17568.0868 0.0000 0.0000 33994.5267 -149459.9334 296.8827 -183454.4602 -149363.7189 298.2143 -94.4358 -60.7061 557124.1272 -13.2814 -13.3184 PRESSURE: 3461000 -19.4124 167.277 118.23 167.276 -149.903 -79.8168 118.23 -79.8167 -73.2628 GPRESSURE: 3461000 -14.7783 -9.46836 55.1343 228.649 -95.1645 2.18718 176.233 -138.489 -35.2303 PRESSAVG: 3461000 4.58036 5.88804 -34.527 5.88795 1.67508 15.8639 -34.527 15.8638 29.9224 GPRESSAVG: 3461000 4.40843 4.34012 -34.9778 5.78282 4.02815 18.8956 -35.49 14.9613 27.6932 TIMING: 3461000 CPU: 10047.6, 0.0029145/step Wall: 10047.6, 0.0029145/step, 1.24595 hours remaining, 205.121094 MB of memory in use. ENERGY: 3461000 754.1691 2107.4053 1956.1734 107.8387 -206562.3858 17923.8666 0.0000 0.0000 34332.4034 -149380.5293 299.8334 -183712.9327 -149286.7245 299.3205 -80.8595 -48.3911 558211.3930 12.0593 12.0432 PRESSURE: 3461200 295.278 120.274 -146.891 120.274 -9.43517 100.316 -146.893 100.318 159.567 GPRESSURE: 3461200 304.269 120.237 -137.374 169.201 56.8755 91.3808 -198.334 91.9971 177.326 PRESSAVG: 3461200 43.0225 11.6945 26.5365 11.6944 -51.7474 -18.8331 26.5365 -18.833 18.1687 GPRESSAVG: 3461200 43.4394 10.7254 29.3344 12.1521 -52.8996 -22.3274 28.5081 -17.7148 18.7859 TIMING: 3461200 CPU: 10048.2, 0.0028944/step Wall: 10048.2, 0.0028944/step, 1.2372 hours remaining, 205.121094 MB of memory in use. ENERGY: 3461200 760.0155 2083.4467 1923.7179 111.3374 -206465.7655 18076.5272 0.0000 0.0000 34202.3847 -149308.3361 298.6979 -183510.7208 -149212.6502 298.6738 148.4700 179.4903 555845.8545 3.1480 3.1086 PRESSURE: 3461400 88.1076 87.6677 -91.7021 87.6682 -172.971 -24.6167 -91.7009 -24.6143 -192.53 GPRESSURE: 3461400 122.435 187.709 -149.776 86.2916 -186.336 59.5496 -66.1402 10.1771 -116.087 PRESSAVG: 3461400 0.65398 -24.6391 1.60414 -24.6391 -5.31923 -20.9402 1.60413 -20.9403 -24.0797 GPRESSAVG: 3461400 0.35168 -24.752 -1.44305 -24.4668 -6.45323 -20.55 0.955938 -20.8744 -22.8795 TIMING: 3461400 CPU: 10048.8, 0.00292958/step Wall: 10048.8, 0.00292958/step, 1.25207 hours remaining, 205.121094 MB of memory in use. ENERGY: 3461400 804.1601 2081.7929 1961.0717 110.9370 -206380.2161 17879.7149 0.0000 0.0000 34274.9451 -149267.5944 299.3316 -183542.5395 -149169.8727 299.4650 -92.4645 -59.9960 557320.4864 -9.5817 -9.6604 PRESSURE: 3461600 -181.932 95.7887 -198.916 95.7887 -188.418 -7.4507 -198.916 -7.45003 -134.792 GPRESSURE: 3461600 -98.0645 102.743 -191.684 101.665 -148.569 -31.8452 -180.856 -78.9638 -169.149 PRESSAVG: 3461600 41.1772 -31.5703 -2.4508 -31.5702 -46.4136 -37.9505 -2.45077 -37.9504 -19.4675 GPRESSAVG: 3461600 41.3975 -30.5853 -0.832806 -31.8884 -45.3431 -37.1766 -5.37797 -39.2815 -20.7038 TIMING: 3461600 CPU: 10049.4, 0.00293085/step Wall: 10049.4, 0.00293085/step, 1.25245 hours remaining, 205.121094 MB of memory in use. ENERGY: 3461600 739.3888 2059.9996 1960.6784 113.6440 -205879.1735 17595.3190 0.0000 0.0000 34305.9018 -149104.2419 299.6020 -183410.1437 -149005.0738 299.6706 -168.3806 -138.5942 560708.1875 -8.2346 -8.2165 PRESSURE: 3461800 -147.725 109.853 -6.6128 109.853 48.9856 113.753 -6.61171 113.751 -102.566 GPRESSURE: 3461800 -119.093 106.617 13.3852 166.362 102.108 76.0203 -36.2288 67.672 -92.6286 PRESSAVG: 3461800 8.20434 -9.64452 10.8394 -9.64439 -8.41716 -9.7467 10.8394 -9.74658 -9.66392 GPRESSAVG: 3461800 8.12255 -9.65524 11.4192 -7.84422 -9.31791 -10.1014 10.7746 -9.15715 -9.02185 TIMING: 3461800 CPU: 10050, 0.00294587/step Wall: 10050, 0.00294587/step, 1.2587 hours remaining, 205.121094 MB of memory in use. ENERGY: 3461800 753.7406 2106.7446 1931.7975 118.8324 -206284.0439 17874.0547 0.0000 0.0000 34294.6101 -149204.2639 299.5034 -183498.8741 -149107.3456 299.0488 -67.1018 -36.5380 558987.4526 -3.2922 -3.4057 PRESSURE: 3462000 61.2841 -124.515 -54.493 -124.514 -32.1868 208.84 -54.4936 208.838 106.638 GPRESSURE: 3462000 16.9005 -144.583 -96.6957 -55.7566 25.5493 239.825 -7.69423 175.247 189.073 PRESSAVG: 3462000 -12.4384 1.77487 -27.5239 1.77494 -28.7258 63.3144 -27.5239 63.3143 15.3674 GPRESSAVG: 3462000 -13.5429 3.57958 -29.0266 -0.742302 -27.407 63.8112 -23.6831 62.0517 15.2839 TIMING: 3462000 CPU: 10050.6, 0.00292857/step Wall: 10050.6, 0.00292857/step, 1.25115 hours remaining, 205.121094 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: 3462000 708.5016 2128.2434 1973.3119 116.2396 -206211.0309 17824.4798 0.0000 0.0000 34247.9461 -149212.3084 299.0958 -183460.2545 -149114.5217 298.9205 45.2451 77.1744 557507.2153 -8.5989 -8.5553 PRESSURE: 3462200 -172.458 51.635 -65.4 51.6343 84.6682 -42.6364 -65.3991 -42.6365 38.7543 GPRESSURE: 3462200 -94.1774 -12.8812 -67.7517 168.62 109.266 -0.493715 -56.9881 -35.2646 30.5841 PRESSAVG: 3462200 -45.5052 13.7558 -25.0023 13.7557 33.8276 14.3867 -25.0024 14.3867 -0.786308 GPRESSAVG: 3462200 -45.56 13.1984 -25.7837 15.4189 32.9069 13.5323 -27.038 16.0514 0.666717 TIMING: 3462200 CPU: 10051.1, 0.0029264/step Wall: 10051.1, 0.0029264/step, 1.25006 hours remaining, 205.121094 MB of memory in use. ENERGY: 3462200 734.7846 2100.0212 1971.7795 107.3580 -206306.2082 17904.8697 0.0000 0.0000 34212.3242 -149275.0709 298.7847 -183487.3951 -149179.3014 299.1880 -16.3452 15.2243 558450.8068 -4.1547 -3.9955 PRESSURE: 3462400 -241.664 -6.92695 120.285 -6.92514 -162.64 -114.91 120.284 -114.908 -127.99 GPRESSURE: 3462400 -155.675 -64.6088 177.131 8.02309 -148.494 -65.1996 67.0615 -130.854 -129.543 PRESSAVG: 3462400 -16.3136 -11.9617 19.0295 -11.9617 -22.1711 -40.7407 19.0295 -40.7407 32.4174 GPRESSAVG: 3462400 -14.7334 -11.5376 21.4746 -12.7301 -21.7144 -38.829 19.4572 -42.5007 31.0253 TIMING: 3462400 CPU: 10051.7, 0.00290123/step Wall: 10051.7, 0.00290123/step, 1.23915 hours remaining, 205.121094 MB of memory in use. ENERGY: 3462400 760.3316 2092.8343 1972.6376 101.1610 -205998.2726 17661.1130 0.0000 0.0000 34268.1889 -149142.0062 299.2726 -183410.1951 -149052.7365 298.8590 -177.4316 -144.5707 558454.5596 -2.0224 -1.8075 PRESSURE: 3462600 -281.922 -13.2627 -18.6398 -13.263 -98.1441 49.9623 -18.6397 49.9632 -38.6074 GPRESSURE: 3462600 -258.429 -44.8633 -15.4278 -11.0014 -95.7661 84.575 -77.4124 42.6408 42.3731 PRESSAVG: 3462600 17.8726 -62.0488 20.9588 -62.0487 43.4185 -3.86054 20.9588 -3.86059 -48.0747 GPRESSAVG: 3462600 17.1142 -63.1954 19.2457 -59.5164 43.9998 -5.20239 20.0534 -3.87231 -47.8524 TIMING: 3462600 CPU: 10052.3, 0.00290401/step Wall: 10052.3, 0.00290401/step, 1.24018 hours remaining, 205.121094 MB of memory in use. ENERGY: 3462600 756.0798 2107.9880 1976.2813 111.8949 -206052.4806 17846.5718 0.0000 0.0000 34239.6217 -149014.0431 299.0231 -183253.6648 -148920.4919 299.5837 -139.5579 -103.9406 559094.3237 4.4055 4.4205 PRESSURE: 3462800 -412.603 5.86745 -140.519 5.86814 -165.644 47.6717 -140.519 47.6707 -123.305 GPRESSURE: 3462800 -373.878 -6.66249 -141.129 63.1359 -151.795 60.8738 -120.705 108.106 -70.2728 PRESSAVG: 3462800 -43.6297 -11.4476 32.4833 -11.4477 -64.7606 3.13233 32.4834 3.13245 56.5085 GPRESSAVG: 3462800 -42.8979 -12.1277 32.913 -14.4011 -65.7553 1.84069 33.1521 5.54609 56.5657 TIMING: 3462800 CPU: 10052.9, 0.0029312/step Wall: 10052.9, 0.0029312/step, 1.25162 hours remaining, 205.121094 MB of memory in use. ENERGY: 3462800 751.4318 2034.2621 1956.7872 124.7010 -205912.9810 17553.9817 0.0000 0.0000 34419.4410 -149072.3760 300.5935 -183491.8170 -148980.4090 299.5191 -233.8508 -198.6484 558310.0758 -17.2939 -17.3625 PRESSURE: 3463000 110.867 -68.4443 -115.851 -68.4431 -183.723 96.75 -115.851 96.7497 253.154 GPRESSURE: 3463000 157.625 -29.0738 -170.9 -63.4357 -122.516 62.3865 -83.0827 155.635 233.667 PRESSAVG: 3463000 58.3024 -10.2963 -41.9437 -10.2963 -47.7035 -26.0352 -41.9437 -26.0351 16.0929 GPRESSAVG: 3463000 57.1012 -9.45269 -39.7863 -10.1705 -46.4886 -23.3639 -40.6986 -28.0142 16.2543 TIMING: 3463000 CPU: 10053.5, 0.00292667/step Wall: 10053.5, 0.00292667/step, 1.24952 hours remaining, 205.121094 MB of memory in use. ENERGY: 3463000 781.1119 2049.5267 1943.4481 109.8720 -206103.0964 18004.5273 0.0000 0.0000 34208.3356 -149006.2748 298.7499 -183214.6105 -148903.5121 299.8820 60.0995 89.5920 556478.8304 8.8973 8.9556 PRESSURE: 3463200 -188.838 133.892 -103.651 133.893 -269.451 34.4312 -103.651 34.4311 33.4698 GPRESSURE: 3463200 -167.274 130.59 -92.5179 144.473 -249.633 2.75842 16.9234 119.949 84.7584 PRESSAVG: 3463200 -15.5336 0.224659 42.84 0.224768 -66.8276 -27.0928 42.8398 -27.0929 81.4187 GPRESSAVG: 3463200 -14.5933 1.4511 41.4371 0.738986 -66.7159 -27.6082 43.0085 -27.1726 80.88 TIMING: 3463200 CPU: 10054.1, 0.00296361/step Wall: 10054.1, 0.00296361/step, 1.26513 hours remaining, 205.187500 MB of memory in use. ENERGY: 3463200 725.8244 2045.0266 1937.1796 106.0740 -205938.8534 17601.3502 0.0000 0.0000 34278.1616 -149245.2371 299.3597 -183523.3986 -149142.2432 299.5860 -141.6064 -110.7162 556954.8279 -0.3142 -0.1430 PRESSURE: 3463400 -202.632 0.0111458 174.676 0.0114908 -185.177 72.9644 174.676 72.9648 -122.451 GPRESSURE: 3463400 -136.421 -27.1915 285.4 -27.0597 -194.768 -54.2405 68.3045 50.5872 -75.136 PRESSAVG: 3463400 -7.37596 -30.1324 -17.3602 -30.1325 -75.0531 -33.6324 -17.3604 -33.6324 101.409 GPRESSAVG: 3463400 -7.09352 -31.5585 -16.9206 -30.6877 -75.3033 -34.6298 -18.7836 -35.0883 101.811 TIMING: 3463400 CPU: 10054.7, 0.00294838/step Wall: 10054.7, 0.00294838/step, 1.25847 hours remaining, 205.187500 MB of memory in use. ENERGY: 3463400 742.4979 2104.7592 1959.9589 97.5569 -206060.3662 17584.6296 0.0000 0.0000 34221.6081 -149349.3556 298.8658 -183570.9637 -149249.1029 299.1397 -170.0868 -135.4416 556403.3494 6.3265 6.4714 PRESSURE: 3463600 -59.9421 -25.7614 57.9061 -25.7614 186.135 -32.49 57.9075 -32.4907 -58.7718 GPRESSURE: 3463600 -87.3566 27.2786 -66.464 -64.5561 284.238 -16.6432 162.114 -144.825 -19.1849 PRESSAVG: 3463600 -38.4795 38.4751 -2.35752 38.4751 -5.72657 -10.2082 -2.35744 -10.2082 20.0046 GPRESSAVG: 3463600 -38.2092 39.1098 -1.12742 40.4205 -6.05113 -8.98962 -1.68996 -9.22282 20.1505 TIMING: 3463600 CPU: 10055.2, 0.0029531/step Wall: 10055.2, 0.0029531/step, 1.26032 hours remaining, 205.187500 MB of memory in use. ENERGY: 3463600 715.0518 2112.8155 1921.4396 100.4648 -206166.4246 17758.6762 0.0000 0.0000 34305.4387 -149252.5379 299.5979 -183557.9767 -149159.1418 299.4132 22.4737 59.2321 556211.0559 -8.0672 -8.0366 PRESSURE: 3463800 143.985 -11.2334 -33.9579 -11.2314 67.4251 116.115 -33.9581 116.115 11.9045 GPRESSURE: 3463800 121.547 -60.3665 -62.2454 -34.0952 126.65 51.3842 -28.037 151.372 71.9183 PRESSAVG: 3463800 5.30369 3.93181 -22.8583 3.93183 9.32697 -58.7867 -22.8582 -58.7866 16.3322 GPRESSAVG: 3463800 4.99821 3.5673 -25.198 3.11121 8.50366 -60.027 -23.1718 -57.4629 17.7102 TIMING: 3463800 CPU: 10055.8, 0.00292731/step Wall: 10055.8, 0.00292731/step, 1.24915 hours remaining, 205.187500 MB of memory in use. ENERGY: 3463800 745.9542 2092.9214 1925.7002 114.5028 -206323.5917 17987.9000 0.0000 0.0000 34177.0765 -149279.5366 298.4769 -183456.6132 -149183.2595 299.7563 74.4383 106.7049 558182.2815 10.3209 10.4040 PRESSURE: 3464000 -139.696 83.3258 237.163 83.327 -76.2653 -54.2303 237.165 -54.2305 -15.1307 GPRESSURE: 3464000 -110.073 80.1927 192.535 86.1751 -109.234 -40.6801 243.69 -94.798 72.8611 PRESSAVG: 3464000 33.1786 -37.0568 4.60764 -37.0569 -31.0728 4.56544 4.60768 4.56551 -39.9704 GPRESSAVG: 3464000 31.6044 -36.8762 4.85054 -36.1598 -29.8106 5.76472 4.17358 3.46953 -40.6706 TIMING: 3464000 CPU: 10056.4, 0.00294505/step Wall: 10056.4, 0.00294505/step, 1.25656 hours remaining, 205.187500 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: 3464000 742.6207 2077.5111 1948.4275 114.0600 -205976.3792 17549.4444 0.0000 0.0000 34248.2802 -149296.0352 299.0987 -183544.3154 -149198.7545 299.1446 -77.0306 -48.8154 558411.9899 -12.6215 -12.9589 PRESSURE: 3464200 -64.3278 -197.763 -24.4497 -197.763 -83.2376 63.2524 -24.4499 63.2521 -134.206 GPRESSURE: 3464200 -6.8426 -175.426 -79.595 -195.881 -34.8975 71.1589 60.3615 -24.7419 -143.169 PRESSAVG: 3464200 4.72049 -33.5816 71.1932 -33.5817 38.1227 -4.27186 71.1931 -4.2718 22.2986 GPRESSAVG: 3464200 7.41482 -32.977 72.4727 -35.5325 36.073 -7.48212 70.8597 -5.00743 21.7756 TIMING: 3464200 CPU: 10057, 0.00293571/step Wall: 10057, 0.00293571/step, 1.25241 hours remaining, 205.187500 MB of memory in use. ENERGY: 3464200 744.8142 2085.8315 1944.0809 106.8344 -205952.2135 17735.0664 0.0000 0.0000 34065.8416 -149269.7445 297.5055 -183335.5861 -149181.6334 298.5727 -93.9237 -61.6363 557762.8105 21.7139 21.7545 LDB: ============= START OF LOAD BALANCING ============== 10060.5 LDB: ============== END OF LOAD BALANCING =============== 10060.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10060.5 LDB: ============= START OF LOAD BALANCING ============== 10060.8 LDB: Largest compute 4820 load 0.030594 is 26.0% of average load 0.117750 LDB: Average compute 0.001709 is 1.5% of average load 0.117750 LDB: TIME 10060.8 LOAD: AVG 0.11775 MAX 0.177965 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.5 MB LDB: TIME 10060.8 LOAD: AVG 0.11775 MAX 0.177965 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: TIME 10060.8 LOAD: AVG 0.11775 MAX 0.177965 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10060.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10060.8 PRESSURE: 3464400 -186.115 -72.3889 -69.9489 -72.3891 -97.567 26.2495 -69.9488 26.249 -146.916 GPRESSURE: 3464400 -149.987 -103.625 -87.7481 -40.28 -54.9648 119.351 -145.025 -9.48787 -122.954 PRESSAVG: 3464400 23.8134 -31.9424 -0.924443 -31.9423 66.8956 -2.31361 -0.92445 -2.31371 -89.1616 GPRESSAVG: 3464400 21.877 -33.9523 -2.00247 -31.3755 68.2648 -0.976875 -1.42417 -1.62199 -88.7716 TIMING: 3464400 CPU: 10057.6, 0.00300502/step Wall: 10057.6, 0.00300502/step, 1.28181 hours remaining, 208.207031 MB of memory in use. ENERGY: 3464400 767.7689 2062.5479 1954.4043 102.7678 -205786.6986 17564.6518 0.0000 0.0000 34064.5518 -149270.0062 297.4942 -183334.5580 -149180.1666 298.9629 -143.5328 -109.3017 557968.8566 0.5158 0.4567 PRESSURE: 3464600 -179.847 12.4644 5.62185 12.4644 52.8447 6.018 5.62235 6.01701 -88.3846 GPRESSURE: 3464600 -162.236 30.8289 -15.3208 -75.5063 73.2412 -22.9614 58.14 -20.5545 -33.5928 PRESSAVG: 3464600 28.0136 23.5178 -23.8553 23.5177 -17.3845 -0.15089 -23.8553 -0.150786 -1.86011 GPRESSAVG: 3464600 27.4919 25.214 -25.6261 22.4426 -17.8925 -2.53058 -22.9424 1.32247 -1.1689 TIMING: 3464600 CPU: 10058.2, 0.00293573/step Wall: 10058.2, 0.00293573/step, 1.25209 hours remaining, 208.535156 MB of memory in use. ENERGY: 3464600 733.3137 2125.5383 1940.4155 109.8137 -206018.1098 17750.7748 0.0000 0.0000 34081.0981 -149277.1557 297.6387 -183358.2538 -149180.5218 298.3436 -71.7956 -40.8624 559154.6108 2.9230 2.8102 PRESSURE: 3464800 74.8707 187.329 139.105 187.33 -198.613 116.772 139.106 116.771 95.8929 GPRESSURE: 3464800 124.115 230.816 105.439 120.826 -173.063 67.745 84.0903 91.8582 124.499 PRESSAVG: 3464800 -4.16144 27.2546 30.3845 27.2546 -11.2846 27.5656 30.3846 27.5657 48.948 GPRESSAVG: 3464800 -3.02346 25.0294 31.2225 29.6276 -11.9404 29.438 31.4007 26.0214 48.7291 TIMING: 3464800 CPU: 10058.8, 0.00291792/step Wall: 10058.8, 0.00291792/step, 1.24433 hours remaining, 208.679688 MB of memory in use. ENERGY: 3464800 738.5349 2046.5744 1953.1283 115.7846 -206254.9188 17862.5889 0.0000 0.0000 34403.6117 -149134.6959 300.4553 -183538.3076 -149034.0126 299.2512 -9.2831 25.1835 558680.8650 11.1673 11.2551 PRESSURE: 3465000 -100.474 -1.70343 152.67 -1.70373 -142.37 8.68738 152.67 8.68851 -74.1196 GPRESSURE: 3465000 -97.4596 1.05686 127.588 -20.1885 -98.8617 -3.03635 198.441 -45.6531 -29.2503 PRESSAVG: 3465000 -61.8702 34.9984 -20.7268 34.9984 50.5049 12.7806 -20.7267 12.7806 28.6478 GPRESSAVG: 3465000 -62.9834 34.5156 -19.1566 35.5849 52.1474 11.2748 -20.981 12.5117 28.1826 TIMING: 3465000 CPU: 10059.4, 0.0029189/step Wall: 10059.4, 0.0029189/step, 1.24459 hours remaining, 208.679688 MB of memory in use. ENERGY: 3465000 749.5713 2030.9902 1963.6944 111.1264 -205931.4996 17742.3999 0.0000 0.0000 34379.0051 -148954.7122 300.2404 -183333.7174 -148858.6657 299.6455 -105.6544 -75.1905 558053.3156 5.7608 5.7822 PRESSURE: 3465200 -164.758 -7.6372 -43.7913 -7.63623 10.7098 -32.7123 -43.7911 -32.713 270.037 GPRESSURE: 3465200 -99.3701 -0.0929319 46.3907 -5.83746 39.7262 -24.7028 -37.1566 -84.6907 261.092 PRESSAVG: 3465200 12.2134 25.2138 -2.13006 25.2137 -70.4938 10.2198 -2.13002 10.2198 36.2432 GPRESSAVG: 3465200 13.3485 24.2315 -2.112 25.2586 -71.3924 12.1005 -3.02113 9.82102 35.892 TIMING: 3465200 CPU: 10059.9, 0.00289516/step Wall: 10059.9, 0.00289516/step, 1.2343 hours remaining, 208.679688 MB of memory in use. ENERGY: 3465200 731.3583 2090.0897 1951.3206 130.0802 -205926.3917 17836.3966 0.0000 0.0000 34173.6718 -149013.4745 298.4472 -183187.1464 -148922.5887 300.4188 38.6630 67.1494 557571.3086 -7.3457 -7.3840 PRESSURE: 3465400 -108.661 156.456 -1.89606 156.455 142.555 6.19605 -1.89605 6.19599 -252.442 GPRESSURE: 3465400 -22.1895 135.755 -134.417 154.183 140.642 92.0875 5.0745 -67.4734 -230.508 PRESSAVG: 3465400 -60.8879 0.601044 46.0704 0.600982 3.81466 -29.8271 46.0703 -29.8271 100.284 GPRESSAVG: 3465400 -61.6494 3.63341 43.8655 -1.27987 4.70849 -29.9984 46.7007 -29.7859 100.185 TIMING: 3465400 CPU: 10060.5, 0.0029203/step Wall: 10060.5, 0.0029203/step, 1.24486 hours remaining, 208.679688 MB of memory in use. ENERGY: 3465400 732.3143 2070.4379 1932.2895 114.8231 -205843.4514 17690.2532 0.0000 0.0000 34300.7756 -149002.5579 299.5572 -183303.3335 -148901.0316 299.2194 -72.8495 -37.3520 558345.7732 14.4037 14.4148 PRESSURE: 3465600 -140.83 83.7165 4.48019 83.7172 -43.8258 -57.4856 4.48073 -57.4854 -14.7958 GPRESSURE: 3465600 -142.39 216.523 42.1727 -1.81691 -14.492 13.8747 19.9892 -59.5011 59.847 PRESSAVG: 3465600 1.44902 14.7311 44.704 14.7311 47.8151 -57.0366 44.704 -57.0366 -18.6006 GPRESSAVG: 3465600 2.23156 14.8778 47.238 14.7017 47.4954 -56.1184 44.4238 -57.1849 -18.979 TIMING: 3465600 CPU: 10061.1, 0.00291716/step Wall: 10061.1, 0.00291716/step, 1.24336 hours remaining, 208.679688 MB of memory in use. ENERGY: 3465600 750.6458 2110.3398 1954.8752 120.1517 -205529.5905 17590.4317 0.0000 0.0000 33990.4525 -149012.6940 296.8471 -183003.1464 -148916.7401 299.7295 -66.4839 -32.3449 558897.5871 10.2212 10.2493 PRESSURE: 3465800 112.383 12.4216 -130.852 12.4222 -262.172 -42.4992 -130.852 -42.499 -222.587 GPRESSURE: 3465800 107.893 -13.8402 -156.515 4.17904 -205.564 -57.9599 -98.851 -66.163 -188.435 PRESSAVG: 3465800 11.671 25.1296 -21.3817 25.1297 -6.67321 -24.0216 -21.3818 -24.0218 -15.2226 GPRESSAVG: 3465800 9.87012 24.367 -21.6128 26.4024 -6.41091 -25.814 -24.0016 -22.4721 -13.8057 TIMING: 3465800 CPU: 10061.7, 0.00292058/step Wall: 10061.7, 0.00292058/step, 1.24465 hours remaining, 208.679688 MB of memory in use. ENERGY: 3465800 731.4849 2060.5507 1975.5790 109.4321 -205990.9103 17695.1117 0.0000 0.0000 34429.6711 -148989.0807 300.6829 -183418.7518 -148896.6415 299.4213 -124.1253 -95.3687 557041.9215 -3.4083 -3.4488 PRESSURE: 3466000 -179.019 -56.8395 98.3348 -56.8389 48.7751 128.655 98.3348 128.655 -40.9214 GPRESSURE: 3466000 -127.983 -52.446 104.792 -4.26795 55.0737 86.3594 68.0774 200.649 3.7274 PRESSAVG: 3466000 29.5327 52.6709 -0.809419 52.671 -22.3217 67.5277 -0.809395 67.5278 -14.7897 GPRESSAVG: 3466000 30.2851 51.8485 -2.46991 53.7416 -23.9708 68.2549 1.09069 66.1491 -13.8406 TIMING: 3466000 CPU: 10062.3, 0.00292471/step Wall: 10062.3, 0.00292471/step, 1.24625 hours remaining, 208.742188 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: 3466000 745.5971 2018.4759 1972.7998 115.3737 -205991.0265 17811.4273 0.0000 0.0000 34408.8914 -148918.4612 300.5014 -183327.3526 -148817.8760 299.9036 -57.0552 -23.0605 559111.4440 -2.5262 -2.5088 PRESSURE: 3466200 41.5224 -91.655 37.5426 -91.655 148.756 47.3195 37.5421 47.3183 6.64535 GPRESSURE: 3466200 10.3302 -143.718 150.993 -58.4806 190.989 108.947 -37.2286 1.26831 88.9205 PRESSAVG: 3466200 -81.7543 -31.9254 -17.6931 -31.9254 65.7832 6.69326 -17.6932 6.69318 -4.63025 GPRESSAVG: 3466200 -81.0804 -32.3227 -17.8698 -30.992 67.1181 5.89395 -17.7093 7.09052 -6.49823 TIMING: 3466200 CPU: 10062.9, 0.00291069/step Wall: 10062.9, 0.00291069/step, 1.24012 hours remaining, 208.742188 MB of memory in use. ENERGY: 3466200 705.0782 2098.4461 1948.4820 122.0061 -206320.8280 18060.4339 0.0000 0.0000 34306.1893 -149080.1923 299.6045 -183386.3817 -148974.4324 300.0638 65.6414 96.7466 557396.4794 -6.8671 -6.8202 PRESSURE: 3466400 -83.3895 101.318 21.5625 101.318 -66.3208 224.32 21.5636 224.321 262.409 GPRESSURE: 3466400 -22.7832 168.243 51.6464 17.2987 3.2856 205.534 5.49777 160.987 225.91 PRESSAVG: 3466400 21.55 42.0974 -8.29315 42.0973 -50.9117 57.4543 -8.29306 57.4543 0.355698 GPRESSAVG: 3466400 20.7943 42.6569 -7.78604 39.343 -50.5067 57.5694 -8.43503 56.1345 0.343449 TIMING: 3466400 CPU: 10063.4, 0.00292846/step Wall: 10063.4, 0.00292846/step, 1.24752 hours remaining, 208.742188 MB of memory in use. ENERGY: 3466400 746.3390 2047.2744 1940.5750 105.9070 -206014.7381 17881.8359 0.0000 0.0000 34295.9172 -148996.8897 299.5148 -183292.8069 -148896.3280 300.1287 37.5662 68.8041 558499.3941 -9.6687 -9.7896 PRESSURE: 3466600 78.1186 105.81 11.9556 105.811 -171.56 -108.729 11.9562 -108.728 -22.951 GPRESSURE: 3466600 67.0623 163.179 111.006 30.5862 -119.274 -183.529 11.6619 -50.0251 41.4747 PRESSAVG: 3466600 -38.9367 67.6714 -35.401 67.6715 -43.6 40.9461 -35.401 40.9461 66.2674 GPRESSAVG: 3466600 -37.6116 67.2558 -36.481 68.8656 -45.5555 40.6522 -32.9329 41.9581 66.503 TIMING: 3466600 CPU: 10064, 0.00292708/step Wall: 10064, 0.00292708/step, 1.24677 hours remaining, 208.742188 MB of memory in use. ENERGY: 3466600 689.2609 2047.8307 1958.9178 105.1874 -205721.5504 17691.0254 0.0000 0.0000 34279.3479 -148949.9802 299.3701 -183229.3281 -148846.6863 300.1190 -38.7975 -3.5790 558629.9651 -5.4231 -5.5547 PRESSURE: 3466800 -92.7884 -85.5049 16.8725 -85.5039 29.4591 220.541 16.8721 220.541 -47.9868 GPRESSURE: 3466800 -46.522 -102.817 -40.6066 -106.666 22.0925 192.428 -48.4281 182.18 3.33623 PRESSAVG: 3466800 -9.97319 -6.63478 -4.85467 -6.63474 4.62048 19.0947 -4.85465 19.0948 -18.0297 GPRESSAVG: 3466800 -11.1245 -3.84957 -5.49039 -8.04422 5.71672 20.0944 -7.24093 20.898 -18.3662 TIMING: 3466800 CPU: 10064.6, 0.00291052/step Wall: 10064.6, 0.00291052/step, 1.23956 hours remaining, 208.742188 MB of memory in use. ENERGY: 3466800 749.8968 2064.9526 1946.6794 119.1425 -206380.9146 17928.7229 0.0000 0.0000 34326.0940 -149245.4264 299.7783 -183571.5204 -149157.4408 299.5477 -37.1054 -7.0311 559491.8938 -7.7941 -7.9246 PRESSURE: 3467000 -154.573 -34.1289 68.5865 -34.1291 -65.5303 77.0134 68.5858 77.0144 251.833 GPRESSURE: 3467000 -56.9895 14.5221 136.08 -33.7573 -64.3129 67.4118 -32.8633 125.617 272.792 PRESSAVG: 3467000 -2.07185 -38.451 -18.6215 -38.451 -1.64444 6.93066 -18.6215 6.93064 18.194 GPRESSAVG: 3467000 -1.60751 -40.9013 -17.4473 -36.7272 -2.00805 8.71077 -19.4895 5.34843 18.0477 TIMING: 3467000 CPU: 10065.2, 0.0029334/step Wall: 10065.2, 0.0029334/step, 1.24914 hours remaining, 208.742188 MB of memory in use. ENERGY: 3467000 765.7507 2094.0870 1933.8561 126.3535 -206644.3092 18019.2060 0.0000 0.0000 34399.5296 -149305.5263 300.4196 -183705.0559 -149215.3786 299.0207 10.5764 50.4965 557264.5842 4.8259 4.8107 PRESSURE: 3467200 -34.2891 -16.4491 60.901 -16.4495 83.006 107.966 60.9026 107.967 -317.947 GPRESSURE: 3467200 -37.3975 -2.87881 74.8623 0.853853 89.7507 178.366 51.7966 42.599 -217.762 PRESSAVG: 3467200 -48.9836 -19.2629 3.89082 -19.2628 85.6345 7.75897 3.89087 7.75913 5.68818 GPRESSAVG: 3467200 -49.1733 -18.1783 5.17818 -20.3106 85.408 6.56275 5.86334 7.36854 5.71265 TIMING: 3467200 CPU: 10065.8, 0.00292132/step Wall: 10065.8, 0.00292132/step, 1.24383 hours remaining, 208.742188 MB of memory in use. ENERGY: 3467200 751.7724 2119.9369 1963.3677 117.2266 -206247.4791 17746.1417 0.0000 0.0000 34045.3788 -149503.6550 297.3268 -183549.0338 -149405.1673 298.2274 -89.7433 -55.1362 557672.4673 14.1130 13.9825 PRESSURE: 3467400 -43.0899 40.0214 -189.944 40.0225 336.783 -18.0535 -189.945 -18.0536 7.3355 GPRESSURE: 3467400 -35.9635 -15.4146 -253.585 59.8104 373.476 -34.2626 -143.439 -34.9779 64.6684 PRESSAVG: 3467400 33.2279 2.53292 -26.6477 2.53282 34.6437 -22.6193 -26.6478 -22.6195 -55.5684 GPRESSAVG: 3467400 32.9611 1.66529 -27.9562 3.54754 34.3265 -22.2943 -26.8621 -23.786 -54.7181 TIMING: 3467400 CPU: 10066.4, 0.00294171/step Wall: 10066.4, 0.00294171/step, 1.25235 hours remaining, 208.742188 MB of memory in use. ENERGY: 3467400 757.9222 2094.5033 1964.4311 116.2935 -206366.5840 18048.9335 0.0000 0.0000 34046.9217 -149337.5786 297.3402 -183384.5003 -149241.6006 298.9686 100.3428 134.0602 556285.9999 4.1011 4.1898 PRESSURE: 3467600 265.985 80.8099 -42.1864 80.81 156.247 -100.044 -42.186 -100.043 197.835 GPRESSURE: 3467600 321.549 147.405 -95.4206 11.3146 190.084 -153.871 6.56925 -62.183 217.065 PRESSAVG: 3467600 -22.7555 11.5424 -36.5795 11.5424 19.8493 -29.9079 -36.5795 -29.908 13.0345 GPRESSAVG: 3467600 -22.7991 11.4152 -33.4687 11.1631 20.0711 -32.795 -37.8131 -28.3372 12.9432 TIMING: 3467600 CPU: 10067, 0.00294224/step Wall: 10067, 0.00294224/step, 1.25242 hours remaining, 208.789062 MB of memory in use. ENERGY: 3467600 738.3318 2051.9085 1938.7108 122.2440 -206606.2954 18008.5412 0.0000 0.0000 34450.5459 -149296.0133 300.8652 -183746.5592 -149185.9548 299.0250 206.6889 242.8992 555336.1752 3.3761 3.4051 PRESSURE: 3467800 286.614 60.0591 38.7537 60.0594 -254.929 195.939 38.7536 195.938 -75.4138 GPRESSURE: 3467800 312.615 -1.78953 -4.47345 97.7359 -196.733 92.6432 0.283883 230.423 -65.3474 PRESSAVG: 3467800 12.6676 -52.7959 -39.9501 -52.796 -3.54277 -0.512538 -39.9502 -0.512663 1.41244 GPRESSAVG: 3467800 12.9013 -53.8129 -40.9483 -52.2423 -3.27091 2.28409 -39.9901 -0.845234 -0.0186093 TIMING: 3467800 CPU: 10067.5, 0.00289292/step Wall: 10067.5, 0.00289292/step, 1.23126 hours remaining, 208.789062 MB of memory in use. ENERGY: 3467800 798.2422 2063.7175 1939.2588 121.7593 -206298.8919 17820.8867 0.0000 0.0000 34209.8543 -149345.1731 298.7632 -183555.0273 -149246.0135 298.7555 -14.5762 16.8449 556985.6904 3.5124 3.2039 PRESSURE: 3468000 -245.675 42.6317 65.3202 42.6315 -123.974 -57.7099 65.3206 -57.7094 114.513 GPRESSURE: 3468000 -229.992 -8.20364 2.49133 125.812 -120.673 -40.7037 78.6933 -99.7601 194.939 PRESSAVG: 3468000 -32.0013 37.1965 -15.8824 37.1966 -17.3683 -18.9858 -15.8824 -18.9858 34.448 GPRESSAVG: 3468000 -32.5604 36.6257 -17.8631 37.5122 -18.5431 -19.1085 -13.354 -21.0904 35.6897 TIMING: 3468000 CPU: 10068.1, 0.00290002/step Wall: 10068.1, 0.00290002/step, 1.23412 hours remaining, 208.789062 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: 3468000 753.8124 2083.0037 1933.1381 122.6718 -206464.5703 17805.9771 0.0000 0.0000 34409.9560 -149356.0113 300.5107 -183765.9673 -149260.0290 299.3390 -85.0455 -51.9087 557406.8567 -4.9739 -5.1380 PRESSURE: 3468200 40.8332 -6.24724 -161.899 -6.24634 -77.5892 -7.97289 -161.9 -7.97092 -19.6446 GPRESSURE: 3468200 1.33849 -63.2377 -180.276 -14.4692 5.42544 -56.3475 -183.54 17.2997 41.0739 PRESSAVG: 3468200 -0.726292 -45.491 -58.0212 -45.4912 29.7317 -21.7965 -58.0212 -21.7964 -40.9547 GPRESSAVG: 3468200 -0.650883 -44.1265 -55.7947 -45.9718 29.4176 -23.7743 -60.2742 -18.6695 -40.9318 TIMING: 3468200 CPU: 10068.7, 0.00292208/step Wall: 10068.7, 0.00292208/step, 1.24334 hours remaining, 208.789062 MB of memory in use. ENERGY: 3468200 738.7511 2074.3927 1979.0705 115.9879 -206361.5895 17981.2265 0.0000 0.0000 34092.2787 -149379.8820 297.7363 -183472.1608 -149283.3951 298.4148 -18.8002 15.9460 557800.3502 -3.9831 -4.0550 LDB: ============= START OF LOAD BALANCING ============== 10072.2 LDB: ============== END OF LOAD BALANCING =============== 10072.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10072.2 LDB: ============= START OF LOAD BALANCING ============== 10072.5 LDB: Largest compute 4820 load 0.031075 is 26.4% of average load 0.117802 LDB: Average compute 0.001713 is 1.5% of average load 0.117802 LDB: TIME 10072.5 LOAD: AVG 0.117802 MAX 0.177816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.445 MB LDB: TIME 10072.5 LOAD: AVG 0.117802 MAX 0.177816 PROXIES: TOTAL 980 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 10072.5 LOAD: AVG 0.117802 MAX 0.177816 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 10072.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10072.5 PRESSURE: 3468400 -89.6243 -148.92 195.102 -148.92 -165.362 -101.891 195.102 -101.891 -54.617 GPRESSURE: 3468400 -57.7942 -95.1743 206.801 -159.617 -129.447 -96.8968 242.795 -100.31 -12.4427 PRESSAVG: 3468400 33.7301 -38.9477 -13.3981 -38.9476 67.3295 2.22989 -13.3981 2.22981 -32.8579 GPRESSAVG: 3468400 35.0475 -39.6654 -13.4503 -38.3706 68.8955 3.28454 -12.7648 3.35237 -34.8614 TIMING: 3468400 CPU: 10069.3, 0.00298628/step Wall: 10069.3, 0.00298628/step, 1.2705 hours remaining, 205.632812 MB of memory in use. ENERGY: 3468400 778.3139 2088.1397 1945.1153 109.8079 -206475.6291 17985.4478 0.0000 0.0000 34220.1487 -149348.6558 298.8531 -183568.8045 -149249.9675 299.0210 -103.2009 -66.5612 558599.5040 22.7339 23.0272 PRESSURE: 3468600 -189.838 126.723 38.7581 126.724 -259.306 0.660703 38.7577 0.660421 -110.66 GPRESSURE: 3468600 -135.535 161.521 88.4653 150.034 -242.852 -24.2143 4.71672 7.15556 -77.5329 PRESSAVG: 3468600 -47.6176 -20.447 11.0419 -20.447 23.4557 11.2239 11.0418 11.2239 -47.9711 GPRESSAVG: 3468600 -46.9188 -19.1359 9.11651 -20.8717 22.0653 12.0373 11.9573 7.55665 -47.277 TIMING: 3468600 CPU: 10069.9, 0.00293177/step Wall: 10069.9, 0.00293177/step, 1.24714 hours remaining, 206.191406 MB of memory in use. ENERGY: 3468600 770.8400 2087.5485 1957.0871 107.5645 -206043.0172 17522.4268 0.0000 0.0000 34134.2758 -149463.2745 298.1031 -183597.5503 -149367.6663 299.1631 -186.6014 -151.9733 558518.4493 -24.0443 -24.0435 PRESSURE: 3468800 115.612 43.0243 -36.9716 43.022 444.877 -148.826 -36.9722 -148.825 369.329 GPRESSURE: 3468800 129.568 94.4365 -50.1505 46.7642 546.362 -216.166 -10.7062 -181.18 349.131 PRESSAVG: 3468800 -15.0244 15.6623 -20.1787 15.6624 -32.2266 -31.1591 -20.1787 -31.1592 3.13313 GPRESSAVG: 3468800 -15.5486 18.2798 -17.8078 15.027 -32.6216 -32.2652 -22.3846 -30.2085 4.42462 TIMING: 3468800 CPU: 10070.5, 0.00294153/step Wall: 10070.5, 0.00294153/step, 1.25113 hours remaining, 206.191406 MB of memory in use. ENERGY: 3468800 704.7234 2098.5917 1978.9252 109.8359 -206662.8530 18238.5201 0.0000 0.0000 34199.1262 -149333.1307 298.6695 -183532.2569 -149233.8178 298.3086 309.9392 341.6868 556718.7572 -14.7059 -14.5818 PRESSURE: 3469000 -43.9963 -5.33581 -129.884 -5.33413 -72.3173 162.528 -129.884 162.53 -205.611 GPRESSURE: 3469000 -21.1441 -71.2878 -141.292 65.9085 -36.9106 75.1988 -128.294 193.344 -163.255 PRESSAVG: 3469000 8.57568 28.7759 0.94869 28.7759 -71.1291 -27.2108 0.948775 -27.2109 32.186 GPRESSAVG: 3469000 9.0622 27.0325 0.507058 29.0871 -70.9659 -26.3968 1.16149 -29.2931 31.3303 TIMING: 3469000 CPU: 10071.1, 0.00293242/step Wall: 10071.1, 0.00293242/step, 1.24709 hours remaining, 206.191406 MB of memory in use. ENERGY: 3469000 718.6674 2163.6845 1938.9127 110.7583 -206216.5449 17789.8638 0.0000 0.0000 34407.7073 -149086.9508 300.4911 -183494.6581 -148992.2220 299.3712 -107.3083 -73.7699 559085.8501 -10.1225 -10.1912 PRESSURE: 3469200 -85.2013 -114.055 28.8852 -114.056 -32.7198 61.0415 28.8847 61.0401 186.624 GPRESSURE: 3469200 -73.4662 -19.2235 32.1529 -188.619 -12.1083 61.9859 28.551 45.2241 245.083 PRESSAVG: 3469200 53.4757 -48.3876 -35.8621 -48.3876 -55.5207 -21.0852 -35.8621 -21.0854 9.60913 GPRESSAVG: 3469200 52.7063 -50.626 -40.1282 -48.0214 -55.7954 -22.5577 -32.4917 -18.4233 10.1822 TIMING: 3469200 CPU: 10071.6, 0.0029162/step Wall: 10071.6, 0.0029162/step, 1.24003 hours remaining, 206.191406 MB of memory in use. ENERGY: 3469200 729.0744 2042.0900 1965.6931 118.5129 -205982.6954 17657.5349 0.0000 0.0000 34197.9238 -149271.8663 298.6590 -183469.7900 -149176.9813 298.7044 22.9009 53.1694 556193.8666 2.5214 2.3644 PRESSURE: 3469400 -63.2295 -64.6008 36.5139 -64.6008 -281.481 -59.8485 36.5142 -59.8488 -383.234 GPRESSURE: 3469400 -25.9523 -154.439 59.9622 -139.779 -235.233 -63.9791 45.2917 -60.9305 -373.978 PRESSAVG: 3469400 -52.9562 -71.9509 13.1656 -71.9509 30.8721 11.4297 13.1656 11.4297 33.1099 GPRESSAVG: 3469400 -51.6608 -69.9534 16.1883 -73.5566 31.4902 12.692 12.0568 10.0263 31.1219 TIMING: 3469400 CPU: 10072.2, 0.002922/step Wall: 10072.2, 0.002922/step, 1.24234 hours remaining, 206.328125 MB of memory in use. ENERGY: 3469400 750.4730 2041.7442 1930.2161 98.9652 -205525.8299 17397.5261 0.0000 0.0000 34169.7678 -149137.1375 298.4131 -183306.9053 -149045.8134 298.3939 -242.6483 -211.7211 558927.8090 3.6753 3.6504 PRESSURE: 3469600 30.1798 51.5133 99.0516 51.5136 -5.38906 -60.8899 99.0519 -60.8902 -12.8785 GPRESSURE: 3469600 68.3013 20.9558 71.8901 83.2588 1.33388 -12.4303 93.743 -73.6594 32.0924 PRESSAVG: 3469600 1.38802 11.7281 26.4462 11.728 18.8224 -28.5063 26.4461 -28.5062 -32.415 GPRESSAVG: 3469600 0.672046 11.677 26.9652 12.8006 18.9838 -29.7273 25.392 -26.5006 -31.7248 TIMING: 3469600 CPU: 10072.8, 0.00292424/step Wall: 10072.8, 0.00292424/step, 1.24313 hours remaining, 206.328125 MB of memory in use. ENERGY: 3469600 734.0745 2097.8453 1927.6729 117.4005 -205838.0277 17719.4046 0.0000 0.0000 34196.9356 -149044.6943 298.6503 -183241.6299 -148950.9912 299.5692 3.9707 33.9092 558317.0871 -4.0682 -4.0230 PRESSURE: 3469800 85.9908 -120.347 53.4791 -120.347 157.569 68.1191 53.4799 68.1182 58.7278 GPRESSURE: 3469800 135.827 -66.474 103.651 -98.2565 167.39 120.655 28.4066 -39.9828 93.4484 PRESSAVG: 3469800 16.4822 13.1608 -19.0116 13.1607 -3.00309 52.641 -19.0116 52.641 -3.06805 GPRESSAVG: 3469800 16.4852 12.5324 -19.3353 14.7058 -2.12206 53.7687 -17.7351 50.3236 -3.37807 TIMING: 3469800 CPU: 10073.4, 0.00291571/step Wall: 10073.4, 0.00291571/step, 1.23934 hours remaining, 206.328125 MB of memory in use. ENERGY: 3469800 767.1829 2096.7852 1925.3048 107.8314 -205992.7853 17978.5604 0.0000 0.0000 34194.1972 -148922.9233 298.6264 -183117.1205 -148828.6060 299.7266 100.7626 132.2219 558605.0291 3.4704 3.6617 PRESSURE: 3470000 -95.8533 41.4667 42.7535 41.4661 -45.5991 98.3942 42.7533 98.3934 -5.13691 GPRESSURE: 3470000 -44.3011 -16.2375 116.967 115.63 0.421247 95.9696 1.37025 110.118 -1.64053 PRESSAVG: 3470000 -22.4942 -40.69 3.8556 -40.69 -12.0592 23.8678 3.85556 23.8677 65.1551 GPRESSAVG: 3470000 -22.5836 -40.1599 4.72742 -41.0096 -12.5223 23.9944 3.81774 24.4542 66.2472 TIMING: 3470000 CPU: 10074, 0.00291622/step Wall: 10074, 0.00291622/step, 1.23939 hours remaining, 206.328125 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: 3470000 729.9336 2040.7125 1933.9514 104.4119 -205734.7626 17712.8694 0.0000 0.0000 34208.3138 -149004.5699 298.7497 -183212.8838 -148908.2397 299.6367 -48.8631 -15.1735 559415.5493 10.2006 10.3804 PRESSURE: 3470200 -28.6129 -51.6074 20.4027 -51.6075 -26.7328 13.456 20.4011 13.4565 -34.1264 GPRESSURE: 3470200 -44.5951 -33.0696 -47.5629 -67.7437 45.6639 3.83487 100.828 -112.634 8.36996 PRESSAVG: 3470200 -9.0584 8.37136 15.72 8.37123 -11.1732 -30.3899 15.7199 -30.3898 -11.2814 GPRESSAVG: 3470200 -9.19247 7.28589 14.9686 6.8571 -10.1111 -29.9667 16.3625 -30.9222 -11.9427 TIMING: 3470200 CPU: 10074.6, 0.00293051/step Wall: 10074.6, 0.00293051/step, 1.2453 hours remaining, 206.328125 MB of memory in use. ENERGY: 3470200 733.1167 2121.3219 1967.2422 113.4279 -205856.9482 17882.6631 0.0000 0.0000 34144.7751 -148894.4012 298.1948 -183039.1764 -148798.7180 299.3596 -29.8240 3.1463 559167.7368 -10.5043 -10.4154 PRESSURE: 3470400 11.3404 -79.9053 22.6563 -79.905 -84.0507 -194.457 22.6547 -194.456 -219.751 GPRESSURE: 3470400 36.183 -51.5189 -9.84275 -38.1892 -77.3062 -190.691 41.8888 -152.665 -152.635 PRESSAVG: 3470400 64.0179 17.1773 9.55127 17.1773 -59.8598 -21.1074 9.55137 -21.1072 -50.8695 GPRESSAVG: 3470400 63.8411 20.3775 9.36942 16.6547 -59.2503 -23.8111 10.1287 -17.8985 -51.7072 TIMING: 3470400 CPU: 10075.2, 0.00291104/step Wall: 10075.2, 0.00291104/step, 1.23687 hours remaining, 206.328125 MB of memory in use. ENERGY: 3470400 775.7338 2101.3559 1959.6337 121.1888 -206016.2678 17736.0196 0.0000 0.0000 34329.6099 -148992.7260 299.8090 -183322.3359 -148894.9094 299.3707 -97.4870 -64.5860 557846.3666 -15.5705 -15.7055 PRESSURE: 3470600 -46.7288 -196.872 24.8569 -196.873 185.227 -46.9523 24.8555 -46.9523 -54.7114 GPRESSURE: 3470600 8.94798 -93.3452 -4.48459 -200.188 209.828 -27.8887 50.1826 -64.8181 -17.8789 PRESSAVG: 3470600 109.493 11.4892 -1.84883 11.4891 -5.26489 -56.6486 -1.84891 -56.6487 -67.5794 GPRESSAVG: 3470600 109.938 8.5994 -1.76467 13.7698 -6.23566 -54.7505 -2.57757 -58.9296 -66.5811 TIMING: 3470600 CPU: 10075.7, 0.00293632/step Wall: 10075.7, 0.00293632/step, 1.24745 hours remaining, 206.328125 MB of memory in use. ENERGY: 3470600 745.2424 2112.3845 1979.8472 125.4584 -205815.6001 17771.1101 0.0000 0.0000 34161.0450 -148920.5125 298.3369 -183081.5576 -148828.6073 299.8895 27.9289 66.9656 557767.0567 12.2161 12.3737 PRESSURE: 3470800 -2.69948 -49.5067 -120.049 -49.5062 86.7439 -3.37627 -120.05 -3.3765 -272.747 GPRESSURE: 3470800 23.675 -17.3235 -208.048 -23.0272 92.4038 38.5949 -38.6729 55.6343 -210.987 PRESSAVG: 3470800 44.2514 3.68733 42.136 3.68733 47.3513 15.8914 42.136 15.8914 -80.953 GPRESSAVG: 3470800 42.6348 5.7486 43.4613 2.80866 47.6706 14.6389 41.5048 16.4314 -80.3413 TIMING: 3470800 CPU: 10076.3, 0.00293441/step Wall: 10076.3, 0.00293441/step, 1.24647 hours remaining, 206.328125 MB of memory in use. ENERGY: 3470800 729.6162 2122.6925 1951.9845 115.0604 -206029.7985 17689.9201 0.0000 0.0000 34451.7711 -148968.7537 300.8759 -183420.5248 -148869.6221 300.5450 -62.9008 -31.6362 557928.6330 3.5499 3.3214 PRESSURE: 3471000 163.516 -199.886 196.536 -199.886 -26.1553 107.088 196.535 107.088 -133.848 GPRESSURE: 3471000 127.333 -149.617 244.661 -158.036 39.127 48.2337 127.963 58.305 -60.795 PRESSAVG: 3471000 37.1494 9.4695 -11.1882 9.46956 12.1407 5.83243 -11.1882 5.83252 -40.6419 GPRESSAVG: 3471000 39.0926 8.95106 -11.171 7.62119 12.4405 6.94115 -9.70108 6.9375 -42.1017 TIMING: 3471000 CPU: 10076.9, 0.00291404/step Wall: 10076.9, 0.00291404/step, 1.23766 hours remaining, 206.328125 MB of memory in use. ENERGY: 3471000 788.3041 2089.0125 1923.1557 109.8611 -206343.8941 17956.8077 0.0000 0.0000 34432.3857 -149044.3673 300.7066 -183476.7530 -148954.6826 300.2776 1.1708 35.2216 557203.6863 2.8827 3.1438 PRESSURE: 3471200 18.1417 -68.4383 -13.0868 -68.4379 27.6916 -66.1751 -13.0874 -66.1716 -251.227 GPRESSURE: 3471200 44.0838 -15.6168 -72.3384 -1.94853 93.9167 -119.554 63.3739 34.8614 -242.715 PRESSAVG: 3471200 41.9833 -21.6628 45.9416 -21.6628 24.635 -9.91257 45.9416 -9.91248 -69.7881 GPRESSAVG: 3471200 42.1903 -23.2792 45.8286 -18.0355 23.8957 -8.97393 45.3578 -10.6526 -69.1593 TIMING: 3471200 CPU: 10077.5, 0.00292228/step Wall: 10077.5, 0.00292228/step, 1.24099 hours remaining, 206.328125 MB of memory in use. ENERGY: 3471200 758.0044 2102.6131 1939.2090 112.8760 -205999.6146 17669.3493 0.0000 0.0000 34412.4900 -149005.0728 300.5328 -183417.5628 -148911.2925 299.9137 -68.4647 -34.9049 557644.6540 -1.0566 -1.0245 PRESSURE: 3471400 -87.2422 69.7255 76.4811 69.7272 -156.807 -130.59 76.4802 -130.589 22.1716 GPRESSURE: 3471400 -16.3058 38.9857 62.1245 154.495 -139.734 -133.816 138.771 -145.321 32.9178 PRESSAVG: 3471400 65.4171 -1.03922 40.5312 -1.03913 -3.45768 -64.5651 40.5311 -64.5651 15.521 GPRESSAVG: 3471400 65.3874 0.35653 41.4442 -3.27393 -3.12427 -65.5903 38.7106 -66.8443 15.0861 TIMING: 3471400 CPU: 10078.1, 0.00291453/step Wall: 10078.1, 0.00291453/step, 1.23754 hours remaining, 206.328125 MB of memory in use. ENERGY: 3471400 759.5691 2085.0252 1925.2017 109.6717 -206202.0358 17832.1071 0.0000 0.0000 34185.2385 -149305.2226 298.5482 -183490.4610 -149211.0151 299.2343 -73.9592 -41.0406 558104.4248 25.8268 25.7831 PRESSURE: 3471600 43.7485 44.3 6.1981 44.3007 49.1596 -109.329 6.19929 -109.327 80.2111 GPRESSURE: 3471600 48.1372 9.25931 26.0309 77.3111 103.248 -111.519 40.4488 -104.551 122.025 PRESSAVG: 3471600 -0.376779 35.9687 4.32667 35.9687 10.5964 -68.2445 4.32667 -68.2445 -15.623 GPRESSAVG: 3471600 -1.06937 34.117 1.60394 36.4366 10.5751 -68.5847 6.21824 -64.4204 -15.2866 TIMING: 3471600 CPU: 10078.7, 0.00292588/step Wall: 10078.7, 0.00292588/step, 1.2422 hours remaining, 206.328125 MB of memory in use. ENERGY: 3471600 741.4539 2149.7221 1952.7220 119.3362 -206116.2518 17790.9478 0.0000 0.0000 34131.5665 -149230.5035 298.0795 -183362.0699 -149131.2260 298.5677 57.7064 91.1366 558705.8548 -1.8011 -1.9269 PRESSURE: 3471800 176.413 -60.3967 128.364 -60.3966 61.5351 -170.574 128.366 -170.573 115.572 GPRESSURE: 3471800 193.173 -35.368 127.364 -27.651 119.583 -245.614 157.597 -114.094 136.793 PRESSAVG: 3471800 10.7463 43.9112 44.3637 43.9113 -10.9749 -19.3356 44.3637 -19.3356 -5.02432 GPRESSAVG: 3471800 10.6264 46.3152 45.975 44.179 -11.5801 -20.0918 45.5281 -22.1529 -4.96402 TIMING: 3471800 CPU: 10079.3, 0.00297094/step Wall: 10079.3, 0.00297094/step, 1.26117 hours remaining, 206.328125 MB of memory in use. ENERGY: 3471800 740.7655 2109.4143 1953.2285 101.3333 -206587.9908 18082.3714 0.0000 0.0000 34467.4336 -149133.4442 301.0127 -183600.8778 -149041.4928 299.1562 117.8402 149.8497 558224.3614 -1.7510 -1.9726 PRESSURE: 3472000 -133.982 -4.07143 135.863 -4.07126 33.1088 68.9286 135.863 68.9262 -157.303 GPRESSURE: 3472000 -126.259 11.8814 110.726 1.00006 105.507 139.288 101.531 64.4191 -144.411 PRESSAVG: 3472000 -87.9958 -25.6914 56.73 -25.6914 58.6871 -44.8252 56.7299 -44.8253 28.1587 GPRESSAVG: 3472000 -86.9952 -28.3221 54.5754 -24.7645 58.5502 -44.5401 55.7138 -42.2603 27.3922 TIMING: 3472000 CPU: 10079.8, 0.00293087/step Wall: 10079.8, 0.00293087/step, 1.24399 hours remaining, 206.328125 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: 3472000 736.2377 2072.9069 1929.6968 110.6540 -206067.5591 17686.3414 0.0000 0.0000 34301.2477 -149230.4746 299.5613 -183531.7223 -149137.1360 298.8616 -86.0588 -55.0544 557281.5022 -0.3833 -0.3509 PRESSURE: 3472200 -209.87 43.8804 -111.454 43.8804 -60.3063 -62.8124 -111.455 -62.8126 -353.549 GPRESSURE: 3472200 -201.131 22.2553 -55.0455 16.9884 -47.1965 -80.8421 -165.041 -158.555 -290.31 PRESSAVG: 3472200 -29.3095 -11.9496 -1.95828 -11.9496 -14.7312 -9.98921 -1.95828 -9.98927 40.7532 GPRESSAVG: 3472200 -30.4585 -7.91005 1.13583 -13.0178 -13.4976 -8.63486 -3.87919 -11.6478 40.6834 TIMING: 3472200 CPU: 10080.4, 0.00291329/step Wall: 10080.4, 0.00291329/step, 1.23637 hours remaining, 206.328125 MB of memory in use. ENERGY: 3472200 728.2464 2111.2809 1924.4116 118.2169 -205807.8862 17387.3132 0.0000 0.0000 34268.5869 -149269.8303 299.2761 -183538.4172 -149171.2609 299.4341 -207.9083 -179.5458 557592.8310 -1.0959 -1.0909 LDB: ============= START OF LOAD BALANCING ============== 10083.9 LDB: ============== END OF LOAD BALANCING =============== 10083.9 LDB: =============== DONE WITH MIGRATION ================ 10083.9 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10084.2 LDB: Largest compute 4819 load 0.030349 is 25.7% of average load 0.117908 LDB: Average compute 0.001711 is 1.5% of average load 0.117908 LDB: TIME 10084.2 LOAD: AVG 0.117908 MAX 0.179814 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 10084.2 LOAD: AVG 0.117908 MAX 0.179814 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.902 MB LDB: TIME 10084.2 LOAD: AVG 0.117908 MAX 0.179814 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10084.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10084.2 PRESSURE: 3472400 258.612 -12.4581 33.3466 -12.4585 -118.896 48.6379 33.3452 48.6398 -127.574 GPRESSURE: 3472400 337.329 -72.4884 -5.66953 -22.1137 -105.131 50.3753 89.7054 -78.6098 -109.893 PRESSAVG: 3472400 44.5468 18.9461 12.0627 18.9461 63.4078 -8.44132 12.0628 -8.44136 -84.0315 GPRESSAVG: 3472400 44.6793 15.8243 7.93611 21.0098 61.6803 -7.22171 14.7742 -8.17432 -82.8065 TIMING: 3472400 CPU: 10081, 0.0029792/step Wall: 10081, 0.0029792/step, 1.26417 hours remaining, 206.199219 MB of memory in use. ENERGY: 3472400 747.6380 2099.0487 1935.1976 119.1814 -206226.4977 17807.0941 0.0000 0.0000 34277.7871 -149240.5508 299.3564 -183518.3378 -149146.5247 298.8041 4.0472 40.7683 555729.8979 7.9743 7.8510 PRESSURE: 3472600 -94.122 18.7458 16.7833 18.7457 -178.95 -128.005 16.7844 -128.002 -21.831 GPRESSURE: 3472600 -82.2774 45.4786 24.3883 -50.6288 -99.7706 -109.936 -10.1809 -124.549 -9.1509 PRESSAVG: 3472600 82.7806 -33.5701 -19.2444 -33.5702 -63.8781 -5.6756 -19.2443 -5.67554 -12.0094 GPRESSAVG: 3472600 82.6289 -29.9762 -18.3067 -35.9332 -63.8716 -8.26874 -20.8991 -3.77557 -12.0392 TIMING: 3472600 CPU: 10081.6, 0.00293735/step Wall: 10081.6, 0.00293735/step, 1.24625 hours remaining, 206.656250 MB of memory in use. ENERGY: 3472600 729.7921 2126.3112 1929.6135 117.7530 -205766.2620 17547.7617 0.0000 0.0000 34012.6095 -149302.4208 297.0406 -183315.0304 -149196.0528 298.6358 -98.3011 -63.7330 558465.6722 2.2977 2.2394 PRESSURE: 3472800 -64.5382 82.8306 -49.8635 82.8311 -12.8436 45.693 -49.8624 45.6927 7.49821 GPRESSURE: 3472800 -33.4232 127.571 -26.3824 58.1859 15.6655 41.6265 -50.4391 82.1693 43.11 PRESSAVG: 3472800 55.7491 -32.7423 22.4203 -32.7422 -49.9483 -21.1444 22.4205 -21.1445 -39.6665 GPRESSAVG: 3472800 55.7109 -35.0993 23.3821 -32.7552 -49.7164 -18.9835 24.353 -24.7998 -40.021 TIMING: 3472800 CPU: 10082.2, 0.00292494/step Wall: 10082.2, 0.00292494/step, 1.24082 hours remaining, 206.656250 MB of memory in use. ENERGY: 3472800 736.0108 2048.7332 1942.2391 111.7028 -206279.9556 17911.4518 0.0000 0.0000 34391.2309 -149138.5871 300.3472 -183529.8180 -149047.0198 298.2299 -23.2945 8.4508 558143.0521 -11.2885 -11.3422 PRESSURE: 3473000 64.9942 -29.3381 -17.7193 -29.3373 -55.0296 -124.618 -17.7203 -124.618 5.06945 GPRESSURE: 3473000 59.6627 -2.35142 -17.7292 -24.2846 -2.39956 -93.8006 -9.05955 -133.472 56.777 PRESSAVG: 3473000 104.899 -65.6946 25.7993 -65.6946 -66.6086 -17.0696 25.7993 -17.0695 -29.695 GPRESSAVG: 3473000 105.111 -64.8833 27.6176 -64.5495 -66.4979 -17.3615 21.563 -15.4374 -29.6941 TIMING: 3473000 CPU: 10082.8, 0.00293229/step Wall: 10082.8, 0.00293229/step, 1.24378 hours remaining, 206.656250 MB of memory in use. ENERGY: 3473000 758.5295 2072.0007 1959.1077 106.8555 -206222.8252 18075.1175 0.0000 0.0000 34379.6101 -148871.6042 300.2457 -183251.2143 -148777.9184 299.6961 5.0113 38.0134 558329.1504 2.8653 2.9730 PRESSURE: 3473200 60.9617 -10.5782 -17.1249 -10.5776 -129.97 57.5158 -17.124 57.5164 -83.8564 GPRESSURE: 3473200 91.1865 -18.898 -20.5686 12.4796 -80.1928 67.5225 27.4527 30.2248 -68.7789 PRESSAVG: 3473200 33.4667 -18.789 27.1809 -18.789 -18.2165 -17.4761 27.1809 -17.4762 -3.08429 GPRESSAVG: 3473200 32.7978 -19.6391 24.8376 -19.2549 -17.2662 -18.3179 30.0706 -17.9174 -4.14383 TIMING: 3473200 CPU: 10083.4, 0.00290698/step Wall: 10083.4, 0.00290698/step, 1.23288 hours remaining, 206.656250 MB of memory in use. ENERGY: 3473200 712.7019 2069.4818 1946.2100 112.0491 -205521.7329 17490.9433 0.0000 0.0000 34390.0423 -148800.3044 300.3368 -183190.3468 -148706.9256 300.2822 -50.9549 -19.2617 556974.5046 4.0553 3.7959 PRESSURE: 3473400 -385.862 -96.0763 -7.56453 -96.0748 -385.544 -27.4 -7.56463 -27.401 -39.7709 GPRESSURE: 3473400 -347.467 -86.8895 73.2931 -120.941 -303.096 -79.6035 -96.3463 12.299 -64.1734 PRESSAVG: 3473400 0.111176 -7.65513 54.2782 -7.65515 -22.1447 -13.0694 54.2782 -13.0695 13.8057 GPRESSAVG: 3473400 0.884317 -9.07443 56.6373 -8.01895 -23.2683 -12.8187 52.4796 -14.8938 14.1904 TIMING: 3473400 CPU: 10083.9, 0.00291393/step Wall: 10083.9, 0.00291393/step, 1.23567 hours remaining, 206.656250 MB of memory in use. ENERGY: 3473400 741.9576 2081.4810 1955.5948 123.9576 -205419.2596 17290.1360 0.0000 0.0000 34483.6503 -148742.4823 301.1543 -183226.1327 -148648.8551 300.9384 -270.3922 -238.2455 559244.2528 -2.7426 -2.7312 PRESSURE: 3473600 -157.374 167.918 8.82955 167.918 16.1579 93.5215 8.82846 93.5206 -239.222 GPRESSURE: 3473600 -141.764 133.973 22.8615 219.028 16.6603 108.731 13.0855 47.2219 -148.478 PRESSAVG: 3473600 27.1645 -21.4841 26.7708 -21.4841 2.68126 37.4837 26.7708 37.4837 -44.4275 GPRESSAVG: 3473600 26.8877 -20.7453 25.2253 -20.6708 3.49046 36.9963 26.2342 39.0978 -44.8959 TIMING: 3473600 CPU: 10084.5, 0.00290832/step Wall: 10084.5, 0.00290832/step, 1.23313 hours remaining, 206.656250 MB of memory in use. ENERGY: 3473600 733.4768 2085.0933 1946.9063 121.2800 -205756.0761 17670.4773 0.0000 0.0000 34404.5013 -148794.3411 300.4631 -183198.8425 -148698.1006 300.1743 -126.8127 -91.1938 559634.1649 -4.8606 -4.8393 PRESSURE: 3473800 -240.823 32.7732 95.6448 32.7731 -215.311 55.6756 95.6438 55.6763 -170.492 GPRESSURE: 3473800 -195.495 72.8242 69.3079 70.4704 -196.233 -7.14779 170.336 116.228 -144.231 PRESSAVG: 3473800 -23.9724 11.7663 30.5924 11.7663 -35.9201 23.7324 30.5925 23.7324 63.8855 GPRESSAVG: 3473800 -22.9604 11.7114 30.3556 10.5933 -37.5753 23.0569 30.8671 25.0092 64.1976 TIMING: 3473800 CPU: 10085.1, 0.00294544/step Wall: 10085.1, 0.00294544/step, 1.2487 hours remaining, 206.656250 MB of memory in use. ENERGY: 3473800 752.4813 2123.5691 1947.9819 124.1126 -205819.7925 17564.7483 0.0000 0.0000 34527.3567 -148779.5426 301.5360 -183306.8993 -148686.4293 300.4281 -208.8751 -178.6529 559771.5332 1.3310 1.2207 PRESSURE: 3474000 -21.3257 -139.385 -39.3606 -139.385 104.412 43.0825 -39.3601 43.0815 27.4834 GPRESSURE: 3474000 -44.6397 -162.289 -81.4123 -118.934 142.378 102.847 7.66468 15.2402 101.682 PRESSAVG: 3474000 -31.7039 -66.6715 10.0022 -66.6715 -38.9811 -19.9415 10.0023 -19.9415 44.4279 GPRESSAVG: 3474000 -33.5363 -65.8726 9.978 -65.3902 -38.7094 -20.6845 11.1724 -18.0681 45.6081 TIMING: 3474000 CPU: 10085.7, 0.00291995/step Wall: 10085.7, 0.00291995/step, 1.23773 hours remaining, 206.656250 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: 3474000 702.6820 2109.7913 1951.0840 106.6460 -205971.9630 17889.8580 0.0000 0.0000 34481.0960 -148730.8057 301.1320 -183211.9017 -148643.5595 299.8693 36.8566 66.4734 560113.4490 -8.7524 -8.8792 PRESSURE: 3474200 -234.823 -97.4063 -82.8605 -97.4064 -302.667 -39.5985 -82.8602 -39.5986 -282.777 GPRESSURE: 3474200 -142.828 -92.6876 -24.4072 -81.557 -250.33 -106.017 -154.117 -13.5107 -337.992 PRESSAVG: 3474200 17.3569 -37.861 15.3163 -37.861 -93.5979 25.7248 15.3162 25.7248 59.308 GPRESSAVG: 3474200 18.6169 -36.9873 15.8016 -38.6958 -93.9416 26.875 14.8985 23.574 58.1656 TIMING: 3474200 CPU: 10086.3, 0.00289957/step Wall: 10086.3, 0.00289957/step, 1.22893 hours remaining, 206.714844 MB of memory in use. ENERGY: 3474200 761.2321 2171.3030 1933.0789 111.1675 -205571.3812 17428.5245 0.0000 0.0000 34410.6116 -148755.4637 300.5164 -183166.0753 -148665.6234 300.3647 -273.4223 -243.7168 560107.6445 -5.6443 -5.7197 PRESSURE: 3474400 -61.0669 -65.9356 57.7957 -65.9372 6.51906 -62.5707 57.7971 -62.5719 171.651 GPRESSURE: 3474400 -42.1745 -59.5958 0.369125 -27.981 91.8542 33.4076 57.2921 -189.129 172.117 PRESSAVG: 3474400 18.4658 -31.9815 -29.2391 -31.9815 -59.7726 0.0900686 -29.2391 0.0899911 39.5791 GPRESSAVG: 3474400 17.8338 -34.9576 -29.3306 -30.1089 -59.0129 2.85558 -29.0636 -2.83612 39.6554 TIMING: 3474400 CPU: 10086.9, 0.00290187/step Wall: 10086.9, 0.00290187/step, 1.22975 hours remaining, 206.855469 MB of memory in use. ENERGY: 3474400 709.5532 2113.2343 1955.8488 112.7155 -205738.5893 17774.9545 0.0000 0.0000 34369.0328 -148703.2502 300.1533 -183072.2830 -148608.7948 300.5180 39.0344 73.9321 557706.4813 -0.5759 -0.5079 PRESSURE: 3474600 -122.884 259.7 -6.12163 259.7 -141.77 13.7052 -6.12268 13.7057 -156.294 GPRESSURE: 3474600 -91.9261 340.728 -58.5228 243.05 -99.1807 -30.4395 -41.3633 27.4134 -142.119 PRESSAVG: 3474600 -51.3883 -10.9586 37.6402 -10.9585 64.6521 -21.267 37.6402 -21.267 -24.5686 GPRESSAVG: 3474600 -50.5275 -10.3311 37.45 -11.0418 65.4363 -22.2839 36.8604 -19.0852 -26.6413 TIMING: 3474600 CPU: 10087.4, 0.00292444/step Wall: 10087.4, 0.00292444/step, 1.23915 hours remaining, 206.855469 MB of memory in use. ENERGY: 3474600 720.9332 2120.9110 1959.0492 135.6587 -205658.7501 17585.7909 0.0000 0.0000 34539.1655 -148597.2416 301.6391 -183136.4071 -148498.8589 300.4608 -140.3160 -111.0753 559508.4528 -3.7683 -3.9108 PRESSURE: 3474800 -29.4395 18.1544 63.9909 18.1554 27.1812 -229.09 63.9917 -229.089 -80.8724 GPRESSURE: 3474800 -13.4057 58.8163 76.8199 37.3858 30.0301 -209.93 29.5094 -196.627 -1.84274 PRESSAVG: 3474800 -42.5136 -6.27871 24.8062 -6.27871 -20.5254 37.6217 24.8062 37.6218 35.2256 GPRESSAVG: 3474800 -42.7535 -6.64007 24.7466 -5.77108 -21.8717 35.5054 25.1474 38.8475 37.0825 TIMING: 3474800 CPU: 10088, 0.00294565/step Wall: 10088, 0.00294565/step, 1.24797 hours remaining, 206.855469 MB of memory in use. ENERGY: 3474800 747.9317 2072.5095 1935.6188 121.8753 -205820.4195 17776.7448 0.0000 0.0000 34488.1305 -148677.6087 301.1934 -183165.7392 -148579.9111 300.9751 -27.7102 4.9272 557802.1319 -9.2711 -9.1809 PRESSURE: 3475000 -225.907 221.94 -117.473 221.942 115.995 -25.9888 -117.475 -25.9882 -208.561 GPRESSURE: 3475000 -188.407 200.227 -116.815 198.952 122.675 12.8608 -144.019 -90.0409 -168.312 PRESSAVG: 3475000 -71.8736 51.6534 -39.7526 51.6533 137.32 7.98605 -39.7525 7.98606 -68.3646 GPRESSAVG: 3475000 -70.9937 50.292 -41.9634 50.3853 137.035 6.80188 -39.3654 7.66307 -69.5119 TIMING: 3475000 CPU: 10088.6, 0.00294648/step Wall: 10088.6, 0.00294648/step, 1.24816 hours remaining, 206.855469 MB of memory in use. ENERGY: 3475000 776.4075 2093.5296 1951.4075 107.2094 -205608.5948 17617.0879 0.0000 0.0000 34373.4210 -148689.5319 300.1916 -183062.9529 -148586.1008 301.4893 -106.1575 -78.0145 559701.4297 -0.9729 -1.1570 PRESSURE: 3475200 -4.10136 -64.5615 -27.1902 -64.5618 -142.187 201.808 -27.1908 201.809 -62.0691 GPRESSURE: 3475200 31.1647 -83.7741 -52.2245 -17.3116 -44.4078 168.86 -79.68 210.617 -106.702 PRESSAVG: 3475200 -30.5928 -5.64371 -16.0936 -5.64372 26.4819 28.65 -16.0936 28.6502 -27.0777 GPRESSAVG: 3475200 -33.3683 -3.07845 -14.6913 -6.9755 29.1612 33.5591 -15.5349 27.9627 -26.5323 TIMING: 3475200 CPU: 10089.2, 0.00294265/step Wall: 10089.2, 0.00294265/step, 1.24638 hours remaining, 206.855469 MB of memory in use. ENERGY: 3475200 741.8250 2084.9077 1939.0224 105.2649 -205640.7381 17579.7280 0.0000 0.0000 34398.8842 -148791.1059 300.4140 -183189.9901 -148695.1486 300.7696 -69.4525 -39.9817 558373.6293 -10.3962 -10.2464 PRESSURE: 3475400 13.1924 -26.9481 -7.68899 -26.9471 93.5813 -24.3217 -7.68854 -24.3231 -49.8423 GPRESSURE: 3475400 28.5447 -77.1398 -47.9509 -108.859 76.3082 8.01433 -0.36866 -104.657 48.9093 PRESSAVG: 3475400 9.35537 -57.3248 26.0691 -57.3248 -22.9459 7.81506 26.0691 7.81502 23.3867 GPRESSAVG: 3475400 10.108 -59.6364 28.6667 -54.6513 -24.6135 3.59349 25.5647 8.64425 24.3436 TIMING: 3475400 CPU: 10089.8, 0.00292302/step Wall: 10089.8, 0.00292302/step, 1.2379 hours remaining, 206.855469 MB of memory in use. ENERGY: 3475400 737.8193 2074.7489 1943.0604 104.9741 -205752.7879 17787.7248 0.0000 0.0000 34378.1723 -148726.2880 300.2331 -183104.4604 -148628.4631 300.4475 18.9772 51.2541 557954.1124 3.2654 3.2794 PRESSURE: 3475600 -40.5975 63.9989 -15.5993 63.9981 43.5413 157.196 -15.5996 157.196 33.1932 GPRESSURE: 3475600 18.2994 102.295 18.2459 66.3086 56.6596 167.682 -45.7407 174.651 56.9919 PRESSAVG: 3475600 -30.1212 -21.7384 9.49781 -21.7384 50.6945 -23.8787 9.49788 -23.8787 -31.861 GPRESSAVG: 3475600 -29.6243 -20.2938 6.97838 -23.477 50.3024 -22.6427 8.87828 -23.0471 -32.383 TIMING: 3475600 CPU: 10090.4, 0.00291854/step Wall: 10090.4, 0.00291854/step, 1.23584 hours remaining, 206.855469 MB of memory in use. ENERGY: 3475600 745.7986 2117.5924 1951.6764 96.0140 -206209.4920 17997.5588 0.0000 0.0000 34423.9375 -148876.9143 300.6328 -183300.8518 -148778.3764 300.5782 12.0457 43.9836 559380.4980 -3.7626 -3.9016 PRESSURE: 3475800 -83.6315 71.7512 152.651 71.7511 160.356 -48.404 152.65 -48.4044 -213.222 GPRESSURE: 3475800 -58.1391 64.3097 119.479 35.0592 224.273 -63.8126 91.2844 -48.2719 -202.267 PRESSAVG: 3475800 16.4513 -25.4284 -28.5885 -25.4284 101.512 -44.062 -28.5886 -44.0621 -118.01 GPRESSAVG: 3475800 16.1954 -25.7385 -29.7596 -26.8387 102.51 -41.1252 -28.4222 -46.4947 -118.344 TIMING: 3475800 CPU: 10091, 0.00293403/step Wall: 10091, 0.00293403/step, 1.24224 hours remaining, 206.855469 MB of memory in use. ENERGY: 3475800 735.9630 2124.8076 1955.2820 122.1492 -205775.2789 17733.7598 0.0000 0.0000 34279.7950 -148823.5223 299.3740 -183103.3173 -148730.7227 299.7295 -45.4994 -12.0443 559703.4397 -0.0155 0.1207 PRESSURE: 3476000 14.6957 102.57 64.5329 102.568 -46.5601 -80.7464 64.5326 -80.7468 133.868 GPRESSURE: 3476000 45.3437 141.83 26.4482 -5.59423 8.85136 -32.1495 143.638 -215.873 156.502 PRESSAVG: 3476000 35.0792 -64.0662 16.5057 -64.0663 7.9445 -43.3671 16.5057 -43.3671 -61.597 GPRESSAVG: 3476000 35.7503 -64.1042 15.8179 -62.537 7.26187 -45.94 17.2934 -42.5204 -61.4658 TIMING: 3476000 CPU: 10091.6, 0.00292298/step Wall: 10091.6, 0.00292298/step, 1.23739 hours remaining, 206.855469 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: 3476000 762.4759 2143.2835 1981.3770 112.6733 -206406.9385 18032.2688 0.0000 0.0000 34597.0751 -148777.7849 302.1449 -183374.8600 -148683.2412 300.4046 34.0011 70.2324 559045.9257 -6.1911 -6.1512 PRESSURE: 3476200 -6.18355 -42.2686 -198.426 -42.2687 102.642 -240.885 -198.426 -240.888 -3.96085 GPRESSURE: 3476200 60.4224 -66.6573 -151.175 15.3351 122.571 -202.379 -211.273 -225.218 8.01124 PRESSAVG: 3476200 50.7504 -5.08129 -0.73056 -5.08128 30.9875 -34.9012 -0.73051 -34.9012 -9.59663 GPRESSAVG: 3476200 50.0907 -5.15816 0.553098 -4.98795 31.8044 -32.4684 0.0919535 -35.5886 -9.89873 TIMING: 3476200 CPU: 10092.1, 0.00289227/step Wall: 10092.1, 0.00289227/step, 1.22423 hours remaining, 206.855469 MB of memory in use. ENERGY: 3476200 764.4789 2079.5547 1957.2654 129.6222 -206235.1136 18007.5523 0.0000 0.0000 34474.4043 -148822.2359 301.0735 -183296.6402 -148728.4317 300.2105 30.8325 63.6681 559154.8631 24.0471 23.9988 LDB: ============= START OF LOAD BALANCING ============== 10095.6 LDB: ============== END OF LOAD BALANCING =============== 10095.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10095.6 LDB: ============= START OF LOAD BALANCING ============== 10095.9 LDB: Largest compute 4820 load 0.029994 is 25.4% of average load 0.117905 LDB: Average compute 0.001718 is 1.5% of average load 0.117905 LDB: TIME 10095.9 LOAD: AVG 0.117905 MAX 0.179767 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.996 MB LDB: TIME 10095.9 LOAD: AVG 0.117905 MAX 0.179767 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 10095.9 LOAD: AVG 0.117905 MAX 0.179767 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10095.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10095.9 PRESSURE: 3476400 218.441 119.422 60.269 119.422 49.2278 -72.5645 60.2699 -72.5643 133.611 GPRESSURE: 3476400 296.37 144.655 110.387 69.9948 79.6213 -98.8267 -4.33594 7.79802 132.915 PRESSAVG: 3476400 72.4024 32.2716 -23.147 32.2715 -40.302 17.1447 -23.1469 17.1448 -43.5516 GPRESSAVG: 3476400 72.223 34.4511 -21.8744 31.8677 -39.3482 17.0146 -25.0376 20.5793 -44.2957 TIMING: 3476400 CPU: 10092.7, 0.00294646/step Wall: 10092.7, 0.00294646/step, 1.24701 hours remaining, 205.890625 MB of memory in use. ENERGY: 3476400 744.9862 2104.9123 1955.6199 117.2482 -206401.0114 17994.9380 0.0000 0.0000 34456.5584 -149026.7483 300.9177 -183483.3068 -148934.0636 299.8220 133.7601 169.6353 558121.8605 -3.8170 -3.8070 PRESSURE: 3476600 56.7437 97.6101 0.492575 97.6096 157.123 -17.1373 0.491978 -17.1377 30.5201 GPRESSURE: 3476600 118.717 114.482 -11.1307 116.165 193.139 -133.764 -35.057 -35.2146 36.0976 PRESSAVG: 3476600 -6.6168 39.0437 26.7793 39.0438 28.7278 42.641 26.7793 42.6411 -9.5817 GPRESSAVG: 3476600 -6.41118 37.6953 24.353 40.5443 27.8734 41.8995 29.8269 38.3152 -9.29116 TIMING: 3476600 CPU: 10093.3, 0.00290978/step Wall: 10093.3, 0.00290978/step, 1.23132 hours remaining, 206.148438 MB of memory in use. ENERGY: 3476600 729.1251 2105.4099 1938.1843 103.7647 -206376.3408 17952.0607 0.0000 0.0000 34325.9157 -149221.8804 299.7768 -183547.7961 -149128.9361 299.6479 81.4621 115.9845 558459.9949 4.1764 4.0570 PRESSURE: 3476800 183.551 91.0287 52.0143 91.028 -124.489 21.013 52.0146 21.0142 -138.086 GPRESSURE: 3476800 234.059 158 -22.9886 76.1194 -126.298 53.3487 47.3262 51.5569 -98.7697 PRESSAVG: 3476800 7.65512 16.7483 12.5884 16.7483 -12.1938 -23.8915 12.5885 -23.8916 -29.1103 GPRESSAVG: 3476800 7.57623 17.3395 14.0088 14.2417 -13.5526 -24.4509 10.049 -21.8259 -27.1743 TIMING: 3476800 CPU: 10093.9, 0.00291443/step Wall: 10093.9, 0.00291443/step, 1.23313 hours remaining, 206.148438 MB of memory in use. ENERGY: 3476800 740.2734 2139.6374 1934.8858 117.0366 -206085.7302 17824.6786 0.0000 0.0000 34181.3870 -149147.8314 298.5146 -183329.2184 -149053.3542 299.7049 -26.3413 2.9972 559287.6943 -11.2163 -11.0502 PRESSURE: 3477000 40.7012 152.906 102.304 152.906 164.718 -46.6749 102.303 -46.6735 88.6433 GPRESSURE: 3477000 115.814 133.541 32.9182 193.559 179.65 -90.8608 79.8003 -74.6244 90.7505 PRESSAVG: 3477000 -44.1316 26.3713 43.0147 26.3713 -37.105 -12.9947 43.0147 -12.9948 50.2538 GPRESSAVG: 3477000 -43.1097 26.0565 42.175 27.5322 -36.7993 -12.3319 45.5996 -13.7542 48.5715 TIMING: 3477000 CPU: 10094.5, 0.00292429/step Wall: 10094.5, 0.00292429/step, 1.23714 hours remaining, 206.148438 MB of memory in use. ENERGY: 3477000 728.6496 2076.9032 1915.6239 116.5622 -206155.2079 17904.6314 0.0000 0.0000 34368.7999 -149044.0377 300.1513 -183412.8376 -148942.4560 299.3634 98.0207 128.7381 560050.8151 -10.3276 -10.4459 PRESSURE: 3477200 -145.768 64.4767 -5.92514 64.4766 -253.537 -17.9012 -5.9258 -17.9013 -97.2882 GPRESSURE: 3477200 -127.247 57.9896 69.0771 22.9624 -201.629 -53.6239 -21.1426 -17.0311 -81.509 PRESSAVG: 3477200 -8.50679 22.1614 18.4155 22.1614 -23.2127 -10.2895 18.4154 -10.2895 -3.99465 GPRESSAVG: 3477200 -9.85538 19.954 16.3647 22.9132 -22.4913 -10.6929 19.0299 -10.099 -3.17948 TIMING: 3477200 CPU: 10095.1, 0.00290951/step Wall: 10095.1, 0.00290951/step, 1.23072 hours remaining, 206.148438 MB of memory in use. ENERGY: 3477200 756.4370 2045.2857 1939.1025 114.8238 -206131.2455 17789.1427 0.0000 0.0000 34195.5665 -149290.8874 298.6384 -183486.4539 -149203.6985 300.1880 -165.5310 -136.7952 558816.8013 -11.9047 -11.8420 PRESSURE: 3477400 -191.645 14.6691 68.6618 14.6703 12.8568 30.3613 68.6619 30.3609 -159.197 GPRESSURE: 3477400 -188.064 -103.63 52.8396 86.0118 77.6706 -85.2433 59.1217 80.6273 -135.5 PRESSAVG: 3477400 4.62423 -16.8481 38.2201 -16.848 -6.55593 3.27502 38.22 3.27495 36.0093 GPRESSAVG: 3477400 5.36334 -16.5972 41.6635 -15.5772 -6.04838 1.87301 36.8916 5.65875 34.9761 TIMING: 3477400 CPU: 10095.6, 0.00293005/step Wall: 10095.6, 0.00293005/step, 1.23925 hours remaining, 206.148438 MB of memory in use. ENERGY: 3477400 770.0747 2057.2208 1940.5629 112.6545 -206363.8069 17860.1184 0.0000 0.0000 34412.8321 -149210.3435 300.5358 -183623.1756 -149115.2278 299.2214 -112.6616 -81.9644 558071.6124 11.3592 11.4304 PRESSURE: 3477600 89.332 33.1977 -4.23277 33.1971 79.9069 -120.814 -4.23321 -120.815 305.779 GPRESSURE: 3477600 133.834 1.81018 57.765 103.872 150.437 -133.222 -9.18921 -107.214 288.145 PRESSAVG: 3477600 33.8712 5.02492 51.3858 5.02487 -32.9333 49.2569 51.3857 49.257 51.3606 GPRESSAVG: 3477600 34.0693 4.87271 50.7147 4.48716 -33.5909 52.47 52.1816 47.3532 52.1362 TIMING: 3477600 CPU: 10096.2, 0.00290521/step Wall: 10096.2, 0.00290521/step, 1.22858 hours remaining, 206.148438 MB of memory in use. ENERGY: 3477600 705.2660 2119.6391 1979.1816 119.3132 -206145.1565 17920.8721 0.0000 0.0000 33985.5295 -149315.3550 296.8041 -183300.8846 -149222.8866 299.3837 158.3394 190.8051 558272.6231 17.4328 17.5382 PRESSURE: 3477800 157.251 107.778 36.3533 107.777 165.996 -80.8705 36.3541 -80.869 227.284 GPRESSURE: 3477800 191.323 89.7208 51.086 93.3551 188.222 -43.8292 49.1064 -191.75 258.089 PRESSAVG: 3477800 -65.9244 -20.1155 -16.8436 -20.1156 40.2742 -15.8073 -16.8436 -15.8074 22.5986 GPRESSAVG: 3477800 -66.1255 -19.6557 -17.2613 -21.8402 40.5669 -15.8382 -17.5678 -17.1102 22.2435 TIMING: 3477800 CPU: 10096.8, 0.00293594/step Wall: 10096.8, 0.00293594/step, 1.24141 hours remaining, 206.148438 MB of memory in use. ENERGY: 3477800 758.6398 2055.2100 1943.1461 110.6361 -206434.6847 18086.2906 0.0000 0.0000 34222.8851 -149257.8769 298.8770 -183480.7620 -149164.6245 299.2214 183.5102 212.5445 556879.7654 -1.0172 -1.1051 PRESSURE: 3478000 73.4885 -102.184 29.0379 -102.186 -81.1832 -77.6828 29.0371 -77.6835 111.25 GPRESSURE: 3478000 108.527 -100.777 155.915 -77.7733 -6.80626 -20.106 -60.0546 -95.9226 104.518 PRESSAVG: 3478000 -18.844 4.24523 -2.88023 4.24528 34.5684 -12.3721 -2.88017 -12.3721 8.33588 GPRESSAVG: 3478000 -19.5275 4.21931 -3.21474 5.36039 35.2916 -15.6333 -2.64361 -9.48457 8.40127 TIMING: 3478000 CPU: 10097.4, 0.00289277/step Wall: 10097.4, 0.00289277/step, 1.223 hours remaining, 206.273438 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: 3478000 725.0834 2049.8495 1952.1726 100.8524 -206386.2549 17971.4491 0.0000 0.0000 34383.0303 -149203.8177 300.2756 -183586.8480 -149116.4317 299.3321 34.5185 68.7464 557209.6500 8.0201 8.0551 PRESSURE: 3478200 28.365 -191.928 129.143 -191.928 100.087 -135.772 129.143 -135.774 13.9395 GPRESSURE: 3478200 61.9397 -205.23 261.27 -181.889 144.581 -111.779 74.6995 -74.7497 39.926 PRESSAVG: 3478200 -55.5427 13.1089 27.4266 13.1089 -10.0703 -4.64415 27.4267 -4.64409 69.2899 GPRESSAVG: 3478200 -54.4116 12.1534 27.5717 13.5226 -11.237 -2.79145 26.6274 -5.39114 68.8896 TIMING: 3478200 CPU: 10098, 0.00290295/step Wall: 10098, 0.00290295/step, 1.22714 hours remaining, 206.273438 MB of memory in use. ENERGY: 3478200 765.1096 2040.7191 1963.6345 112.6935 -206169.5803 17923.6810 0.0000 0.0000 34202.6204 -149161.1222 298.7000 -183363.7426 -149063.5110 298.8704 47.4639 82.1489 558321.5865 1.2256 1.0803 PRESSURE: 3478400 -159.772 -66.0892 61.0272 -66.0893 175.727 -44.2128 61.0277 -44.2123 104.785 GPRESSURE: 3478400 -105.977 -9.44741 94.6961 -72.9566 206.347 7.23322 31.2594 -137.45 128.737 PRESSAVG: 3478400 16.2918 6.08445 73.7405 6.08447 -19.6418 33.1282 73.7405 33.1282 -8.47971 GPRESSAVG: 3478400 15.9053 6.5077 76.0619 6.27727 -19.6088 31.7472 74.465 31.321 -7.7131 TIMING: 3478400 CPU: 10098.5, 0.00290157/step Wall: 10098.5, 0.00290157/step, 1.2264 hours remaining, 206.273438 MB of memory in use. ENERGY: 3478400 731.8561 2114.7492 1939.4001 104.7523 -206292.3620 17921.3188 0.0000 0.0000 34224.8041 -149255.4814 298.8937 -183480.2855 -149159.1612 298.2433 40.2465 76.3687 558322.3083 -3.9433 -3.8055 PRESSURE: 3478600 -193.372 -165.362 -36.7103 -165.362 -80.2312 122.492 -36.71 122.491 -90.2014 GPRESSURE: 3478600 -189.585 -74.5237 -153.395 -177.538 -37.0092 167.779 61.1339 1.31782 -39.3806 PRESSAVG: 3478600 -2.89484 35.3517 48.7011 35.3517 14.5032 6.90203 48.7011 6.90224 0.830746 GPRESSAVG: 3478600 -2.21993 36.403 48.3706 34.7401 15.1261 7.78596 46.495 5.65287 -1.07203 TIMING: 3478600 CPU: 10099.1, 0.00291917/step Wall: 10099.1, 0.00291917/step, 1.23367 hours remaining, 206.273438 MB of memory in use. ENERGY: 3478600 778.7166 2077.8792 1929.1141 113.8256 -205922.5175 17647.3451 0.0000 0.0000 34226.0089 -149149.6279 298.9042 -183375.6368 -149054.1856 298.7533 -121.2681 -88.6582 557596.9884 4.1464 3.9447 PRESSURE: 3478800 57.5572 -84.6889 104.005 -84.6896 -14.817 -35.0806 104.005 -35.0791 174.951 GPRESSURE: 3478800 75.9951 -184.712 70.2629 -34.0757 21.3289 -1.70563 131.586 -4.34206 212.442 PRESSAVG: 3478800 32.2159 -22.0539 32.7039 -22.0539 -25.9756 65.8408 32.7039 65.8409 33.4359 GPRESSAVG: 3478800 32.2069 -20.654 31.5889 -22.8832 -26.1178 64.2224 35.3466 68.4235 33.6633 TIMING: 3478800 CPU: 10099.7, 0.0029339/step Wall: 10099.7, 0.0029339/step, 1.23973 hours remaining, 206.273438 MB of memory in use. ENERGY: 3478800 740.4744 2046.4072 1962.2734 102.0437 -206240.1711 17998.3634 0.0000 0.0000 34132.5876 -149258.0215 298.0884 -183390.6090 -149156.6668 298.9972 72.5637 103.2554 557564.6725 13.2254 13.2508 PRESSURE: 3479000 -129.407 -71.7751 45.0819 -71.776 -60.6659 -52.3516 45.0816 -52.3504 -155.077 GPRESSURE: 3479000 -99.8451 16.866 69.2321 -165.174 -72.298 -90.2087 61.775 4.35569 -89.1741 PRESSAVG: 3479000 23.7382 -41.9391 9.1409 -41.939 -55.7676 23.7307 9.14091 23.7307 52.6875 GPRESSAVG: 3479000 23.9129 -41.9693 9.2773 -41.8573 -56.9688 23.0217 6.77472 25.4877 53.3431 TIMING: 3479000 CPU: 10100.3, 0.0029181/step Wall: 10100.3, 0.0029181/step, 1.2329 hours remaining, 206.273438 MB of memory in use. ENERGY: 3479000 769.2383 2049.2134 1969.1654 108.9107 -206358.2107 17744.3198 0.0000 0.0000 34426.5153 -149290.8476 300.6553 -183717.3630 -149195.0643 299.1284 -115.0500 -87.1058 558106.5094 6.8860 6.7624 PRESSURE: 3479200 -151.021 -190.602 -20.5728 -190.601 -18.9002 16.8032 -20.572 16.8027 236.296 GPRESSURE: 3479200 -53.1942 -160.244 -52.5127 -137.592 -27.6038 24.0868 8.33977 -12.313 243.038 PRESSAVG: 3479200 -71.8129 -31.7611 16.8799 -31.7611 2.62486 5.18993 16.8799 5.19 108.441 GPRESSAVG: 3479200 -72.3935 -32.9287 16.5344 -30.3277 3.47095 7.78613 16.8688 3.1925 108.563 TIMING: 3479200 CPU: 10100.9, 0.00292813/step Wall: 10100.9, 0.00292813/step, 1.23697 hours remaining, 206.273438 MB of memory in use. ENERGY: 3479200 720.0008 2028.1019 1978.9509 118.3246 -206275.3605 17724.7127 0.0000 0.0000 34335.3250 -149369.9445 299.8589 -183705.2695 -149265.2072 299.2809 22.1248 54.0800 558802.1489 13.0843 13.2135 PRESSURE: 3479400 -193.887 38.8894 34.7117 38.8903 164.831 -47.687 34.7126 -47.686 -124.727 GPRESSURE: 3479400 -168.119 35.4065 53.696 -5.5355 175.891 -53.4897 13.1466 -13.4084 -50.9224 PRESSAVG: 3479400 -40.834 -91.3356 -12.0868 -91.3356 15.7584 -14.113 -12.0868 -14.1129 9.40315 GPRESSAVG: 3479400 -41.7398 -90.26 -13.0288 -93.8311 15.6265 -11.8784 -11.2928 -16.0526 10.7549 TIMING: 3479400 CPU: 10101.5, 0.00291021/step Wall: 10101.5, 0.00291021/step, 1.22924 hours remaining, 206.335938 MB of memory in use. ENERGY: 3479400 761.7984 2096.1096 1932.1669 109.3760 -206021.2244 17750.1407 0.0000 0.0000 34063.0954 -149308.5373 297.4815 -183371.6327 -149213.7512 298.7901 -51.2608 -14.3835 559724.3372 -5.2242 -5.1195 PRESSURE: 3479600 -11.061 -55.6804 -19.1738 -55.6806 -139.897 49.4431 -19.1741 49.4437 44.705 GPRESSURE: 3479600 62.9598 14.4382 -8.5879 -46.5223 -115.245 92.3789 -28.3207 48.1371 46.0138 PRESSAVG: 3479600 -18.5291 -27.0835 37.9006 -27.0835 79.7999 16.4904 37.9007 16.4904 -62.8894 GPRESSAVG: 3479600 -16.8223 -29.8874 38.9243 -24.0821 79.6081 15.3239 38.4669 16.5772 -64.4428 TIMING: 3479600 CPU: 10102.1, 0.0029211/step Wall: 10102.1, 0.0029211/step, 1.23368 hours remaining, 206.335938 MB of memory in use. ENERGY: 3479600 755.6303 2028.3398 1942.0411 119.7864 -206116.1503 17741.5062 0.0000 0.0000 34244.7121 -149284.1344 299.0676 -183528.8464 -149184.6570 298.2155 -35.4176 -2.0905 559435.1546 -0.5395 -0.5523 PRESSURE: 3479800 164.293 -77.2774 -6.36477 -77.2775 356.37 8.99084 -6.36584 8.98913 104.863 GPRESSURE: 3479800 202.552 -109.069 -71.0267 -153.435 391.825 -60.4232 97.2992 33.0813 133.154 PRESSAVG: 3479800 -9.96685 -11.3742 -42.9379 -11.3742 28.2092 -10.9289 -42.9379 -10.9289 -42.1649 GPRESSAVG: 3479800 -10.312 -8.89791 -43.4833 -14.1463 27.4401 -12.9387 -44.0311 -9.96998 -41.2897 TIMING: 3479800 CPU: 10102.6, 0.00291139/step Wall: 10102.6, 0.00291139/step, 1.22942 hours remaining, 206.335938 MB of memory in use. ENERGY: 3479800 705.7806 2108.2724 1960.8787 115.6638 -206480.9179 18035.7340 0.0000 0.0000 34395.8144 -149158.7741 300.3872 -183554.5885 -149068.2333 299.1165 208.5086 242.5106 557556.2491 -7.9742 -8.0539 PRESSURE: 3480000 303.667 55.848 -39.7529 55.848 83.7957 87.5252 -39.752 87.5246 -21.2056 GPRESSURE: 3480000 301.287 41.1723 16.3047 56.7459 105.205 195.757 -80.6723 -101.168 51.8904 PRESSAVG: 3480000 -20.7348 -3.76041 -16.3976 -3.76039 6.31079 -3.41029 -16.3976 -3.41024 50.521 GPRESSAVG: 3480000 -21.5712 -5.63556 -16.6474 -0.758408 6.62486 -1.80844 -16.8784 -4.82865 50.7508 TIMING: 3480000 CPU: 10103.2, 0.00293875/step Wall: 10103.2, 0.00293875/step, 1.24081 hours remaining, 206.335938 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: 3480000 757.3309 2045.7213 1969.3520 106.0316 -206475.6716 18060.8002 0.0000 0.0000 34439.4279 -149097.0077 300.7681 -183536.4356 -148994.6191 299.0173 122.0857 152.7942 556834.5541 12.0323 11.9348 PRESSURE: 3480200 252.562 -14.9739 -53.092 -14.9741 147.539 -45.7778 -53.0907 -45.7773 159.703 GPRESSURE: 3480200 271.24 -23.1118 -68.8159 30.023 178.552 -61.7677 -103.962 -74.6465 215.105 PRESSAVG: 3480200 38.2421 -6.26618 8.57724 -6.26619 -76.1629 0.957158 8.57731 0.957179 42.2884 GPRESSAVG: 3480200 38.1763 -6.36902 9.87155 -8.08023 -75.7949 0.828173 9.9092 1.66229 42.0719 TIMING: 3480200 CPU: 10103.8, 0.00291201/step Wall: 10103.8, 0.00291201/step, 1.22935 hours remaining, 206.335938 MB of memory in use. ENERGY: 3480200 717.3335 2081.8609 1963.9994 110.0700 -206634.9210 18193.1668 0.0000 0.0000 34258.1282 -149310.3622 299.1848 -183568.4904 -149205.5412 299.2764 186.6012 221.6326 556964.9992 1.4558 1.4844 LDB: ============= START OF LOAD BALANCING ============== 10107.3 LDB: ============== END OF LOAD BALANCING =============== 10107.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10107.3 LDB: ============= START OF LOAD BALANCING ============== 10107.6 LDB: Largest compute 4820 load 0.030488 is 25.9% of average load 0.117930 LDB: Average compute 0.001716 is 1.5% of average load 0.117930 LDB: TIME 10107.6 LOAD: AVG 0.11793 MAX 0.178492 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 10107.6 LOAD: AVG 0.11793 MAX 0.178492 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.902 MB LDB: TIME 10107.6 LOAD: AVG 0.11793 MAX 0.178492 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10107.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10107.6 PRESSURE: 3480400 -312.728 9.15322 53.3343 9.15422 -183.676 116.397 53.3355 116.396 -127.021 GPRESSURE: 3480400 -256.124 70.1296 36.234 4.37793 -189.67 172.428 45.4718 31.3032 -91.1214 PRESSAVG: 3480400 -2.66843 3.80326 6.7919 3.80326 -21.3925 -19.9367 6.79189 -19.9366 7.30905 GPRESSAVG: 3480400 0.00665933 4.77124 4.96719 6.11883 -23.2659 -22.0223 8.4337 -18.2581 6.8702 TIMING: 3480400 CPU: 10104.4, 0.00295733/step Wall: 10104.4, 0.00295733/step, 1.24832 hours remaining, 207.429688 MB of memory in use. ENERGY: 3480400 754.6883 2072.2562 1950.3808 115.0835 -206111.5209 17577.6273 0.0000 0.0000 34378.0545 -149263.4303 300.2321 -183641.4847 -149168.2818 298.9954 -207.8082 -178.9720 558070.2308 -5.5840 -5.4630 PRESSURE: 3480600 189.234 28.4409 93.9399 28.4407 165.258 56.1141 93.9414 56.1142 -39.2361 GPRESSURE: 3480600 229.657 100.884 19.7161 13.8359 206.554 70.0873 122.045 0.373755 -35.3181 PRESSAVG: 3480600 5.17013 8.87965 37.4824 8.87965 -13.3517 14.2227 37.4824 14.2226 -8.95751 GPRESSAVG: 3480600 4.16587 7.68515 37.4401 5.38937 -12.2716 15.7737 34.4295 13.9447 -8.92455 TIMING: 3480600 CPU: 10105, 0.00289002/step Wall: 10105, 0.00289002/step, 1.21975 hours remaining, 207.632812 MB of memory in use. ENERGY: 3480600 759.8702 2089.3690 1959.9685 103.7556 -206187.1641 18066.4720 0.0000 0.0000 34109.6258 -149098.1030 297.8878 -183207.7288 -149006.0253 299.5298 105.0850 133.6311 558523.6915 -5.7130 -5.6768 PRESSURE: 3480800 315.114 4.32855 -171.773 4.32912 -49.2764 -122.013 -171.773 -122.013 -49.3812 GPRESSURE: 3480800 320.102 -26.7924 -130.563 12.7257 2.92149 -171.285 -207.013 -42.7319 -17.3107 PRESSAVG: 3480800 -4.04804 29.9667 -1.64285 29.9666 -33.0699 -38.9155 -1.64288 -38.9155 -17.8387 GPRESSAVG: 3480800 -3.89383 31.8661 -1.66931 32.4709 -32.0524 -40.1784 1.15515 -39.3045 -19.234 TIMING: 3480800 CPU: 10105.6, 0.00289279/step Wall: 10105.6, 0.00289279/step, 1.22076 hours remaining, 207.632812 MB of memory in use. ENERGY: 3480800 735.5869 2144.8579 1959.7652 122.3052 -206391.9214 17972.4204 0.0000 0.0000 34371.8610 -149085.1247 300.1780 -183456.9857 -148985.7736 299.8857 72.1523 101.9043 559340.1574 -18.3189 -18.3934 PRESSURE: 3481000 -183.325 -120.099 3.43115 -120.098 341.19 -138.359 3.43122 -138.359 67.6227 GPRESSURE: 3481000 -111.856 -61.1908 -4.68809 -65.0909 366.878 -141.856 17.4288 -172.9 73.4481 PRESSAVG: 3481000 12.676 -0.433275 -23.8555 -0.4333 -11.2138 -6.82456 -23.8554 -6.82457 -9.21731 GPRESSAVG: 3481000 12.1548 -0.234393 -22.8252 -2.24842 -11.6585 -5.7171 -25.6205 -7.09739 -8.09665 TIMING: 3481000 CPU: 10106.1, 0.00292358/step Wall: 10106.1, 0.00292358/step, 1.23359 hours remaining, 207.691406 MB of memory in use. ENERGY: 3481000 716.2442 2135.8653 1993.7730 111.9043 -206414.2200 17848.9061 0.0000 0.0000 34437.5955 -149169.9316 300.7521 -183607.5271 -149073.4234 299.2060 75.1626 109.4899 557094.1504 -2.5851 -2.5334 PRESSURE: 3481200 -314.948 51.5607 -7.93668 51.561 -67.0765 -154.081 -7.93817 -154.081 -321.227 GPRESSURE: 3481200 -253.563 6.76821 -13.0676 86.7549 -51.7214 -96.6783 -71.3563 -116.464 -309.264 PRESSAVG: 3481200 -30.0661 9.09781 3.21147 9.09785 42.9053 -12.9147 3.21146 -12.9147 -18.1188 GPRESSAVG: 3481200 -29.8801 7.99428 2.33325 9.27127 42.6907 -13.8241 2.39588 -12.4732 -18.0213 TIMING: 3481200 CPU: 10106.7, 0.00294612/step Wall: 10106.7, 0.00294612/step, 1.24294 hours remaining, 207.691406 MB of memory in use. ENERGY: 3481200 741.4546 2098.5349 1970.1004 101.4623 -205766.1788 17414.2819 0.0000 0.0000 34230.7466 -149209.5983 298.9456 -183440.3449 -149114.9338 299.5395 -234.4173 -204.8495 558571.9502 -1.7598 -1.7369 PRESSURE: 3481400 80.4574 -104.193 -133.635 -104.193 -30.7886 84.2931 -133.634 84.2927 280.453 GPRESSURE: 3481400 83.4133 -132.465 -75.8107 -121.922 17.0122 17.7005 -174.422 73.3754 322.694 PRESSAVG: 3481400 49.7766 -23.2123 -34.0868 -23.2123 -28.3558 -36.7844 -34.0868 -36.7844 -2.68751 GPRESSAVG: 3481400 48.9449 -23.3678 -35.4684 -24.9429 -29.0425 -36.293 -31.8068 -39.1671 -1.15322 TIMING: 3481400 CPU: 10107.3, 0.00293272/step Wall: 10107.3, 0.00293272/step, 1.23712 hours remaining, 207.691406 MB of memory in use. ENERGY: 3481400 745.8987 2092.4631 1938.4033 132.0987 -206404.9821 18070.7324 0.0000 0.0000 34237.0816 -149188.3044 299.0009 -183425.3859 -149098.3010 298.8181 110.0407 141.0399 558081.0107 6.2444 6.2497 PRESSURE: 3481600 -224.419 -77.5857 -4.86796 -77.5858 -90.0928 81.0658 -4.86744 81.0669 -259.303 GPRESSURE: 3481600 -193.097 -72.9751 56.8388 -98.2166 -98.3054 63.0182 -4.98476 87.3132 -183.249 PRESSAVG: 3481600 36.9335 -0.0654818 13.1129 -0.0653796 19.3326 22.7774 13.1128 22.7774 -18.6258 GPRESSAVG: 3481600 37.2092 -0.978794 14.4284 1.02067 19.4023 20.5783 11.3421 24.9285 -19.2354 TIMING: 3481600 CPU: 10107.9, 0.00292186/step Wall: 10107.9, 0.00292186/step, 1.23237 hours remaining, 207.691406 MB of memory in use. ENERGY: 3481600 755.1926 2110.2922 1975.0055 112.4299 -206024.1615 17662.4313 0.0000 0.0000 34306.2044 -149102.6055 299.6046 -183408.8099 -149000.4751 299.1667 -191.2716 -158.2172 558642.6689 12.5467 12.4587 PRESSURE: 3481800 73.1674 0.848722 -108.883 0.849366 42.7728 -11.7009 -108.882 -11.7007 80.9498 GPRESSURE: 3481800 71.1915 14.5459 -110.603 4.37884 51.4416 -89.9377 -94.7333 -19.1242 161.822 PRESSAVG: 3481800 31.6708 -22.3451 -30.5668 -22.3451 -14.4758 22.4024 -30.5668 22.4024 -28.9381 GPRESSAVG: 3481800 32.1669 -21.4773 -29.4261 -20.1141 -13.8322 24.8565 -31.1347 19.4084 -30.0982 TIMING: 3481800 CPU: 10108.5, 0.00291536/step Wall: 10108.5, 0.00291536/step, 1.22947 hours remaining, 207.691406 MB of memory in use. ENERGY: 3481800 746.9462 2098.9451 1987.8792 109.3776 -206441.6396 18055.0907 0.0000 0.0000 34354.2411 -149089.1597 300.0241 -183443.4008 -148988.5371 299.4548 65.6300 94.8184 557561.8647 -3.9144 -3.9211 PRESSURE: 3482000 207.597 -50.5482 24.3621 -50.5478 44.8107 36.3732 24.363 36.3713 -275.107 GPRESSURE: 3482000 226.039 -124.824 146.522 -13.2694 28.8343 43.9888 -55.3375 77.4485 -180.161 PRESSAVG: 3482000 45.3683 -8.0502 1.91281 -8.05027 -19.8433 1.7554 1.91287 1.75549 -24.3292 GPRESSAVG: 3482000 44.3834 -8.60491 2.40689 -10.3947 -19.4509 3.30937 3.25154 2.36434 -23.2898 TIMING: 3482000 CPU: 10109.1, 0.00293891/step Wall: 10109.1, 0.00293891/step, 1.23924 hours remaining, 207.691406 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: 3482000 712.9836 2047.2037 1945.1224 114.3409 -206237.0926 17972.7584 0.0000 0.0000 34165.3373 -149279.3463 298.3744 -183444.6836 -149179.2960 299.0465 -7.5665 24.9042 559739.7174 0.3986 0.5476 PRESSURE: 3482200 -264.029 102.482 2.71185 102.482 51.5007 69.4875 2.7122 69.4873 113.336 GPRESSURE: 3482200 -151.223 51.4968 -1.79168 86.8779 30.8079 68.7939 -8.3561 73.0069 114.482 PRESSAVG: 3482200 42.5697 -22.6155 29.9259 -22.6155 -19.5613 17.0477 29.9259 17.0477 -25.6233 GPRESSAVG: 3482200 43.0645 -21.2041 28.1129 -21.5615 -20.8057 15.9198 29.1667 18.2384 -24.675 TIMING: 3482200 CPU: 10109.7, 0.00292246/step Wall: 10109.7, 0.00292246/step, 1.23214 hours remaining, 207.691406 MB of memory in use. ENERGY: 3482200 742.6840 2108.9644 1950.3889 107.2667 -206375.4473 17795.7580 0.0000 0.0000 34409.5358 -149260.8495 300.5070 -183670.3852 -149157.6891 299.2189 -33.0642 -1.9777 558543.7118 -0.8716 -0.8054 PRESSURE: 3482400 109.148 46.2003 -91.942 46.199 -7.33163 68.5905 -91.9419 68.5902 177.519 GPRESSURE: 3482400 136.676 -3.06037 -64.1588 -12.4596 60.1197 76.9906 -115.557 111.246 189.559 PRESSAVG: 3482400 52.8843 4.52402 -4.48442 4.52405 -49.5131 14.1203 -4.48442 14.1203 26.5047 GPRESSAVG: 3482400 53.0614 4.97105 -3.8069 4.55815 -49.1289 12.5131 -3.05772 14.9159 26.1715 TIMING: 3482400 CPU: 10110.2, 0.00291975/step Wall: 10110.2, 0.00291975/step, 1.23084 hours remaining, 207.691406 MB of memory in use. ENERGY: 3482400 725.7596 2044.2219 1926.6533 118.9842 -206088.7872 17753.3552 0.0000 0.0000 34203.3027 -149316.5103 298.7059 -183519.8130 -149223.0910 298.9008 93.1119 128.7846 558705.3010 9.9586 10.0346 PRESSURE: 3482600 -15.7081 9.63882 42.7711 9.63999 106.125 79.6245 42.7713 79.6244 213.293 GPRESSURE: 3482600 67.6534 16.6758 -24.6411 -62.5359 106.101 86.1014 84.187 55.7467 227.229 PRESSAVG: 3482600 26.5674 -17.4811 35.8359 -17.4812 -4.50002 0.560142 35.8358 0.560243 -7.48442 GPRESSAVG: 3482600 26.2404 -18.3285 35.6311 -17.9626 -3.3869 -1.18019 33.6331 1.15552 -7.74831 TIMING: 3482600 CPU: 10110.8, 0.0029125/step Wall: 10110.8, 0.0029125/step, 1.22762 hours remaining, 207.691406 MB of memory in use. ENERGY: 3482600 716.0862 2093.4809 1968.6722 111.5351 -206153.2884 18024.0862 0.0000 0.0000 33931.8254 -149307.6025 296.3351 -183239.4279 -149216.3890 298.9060 101.2369 133.6614 557624.1248 4.8610 5.0350 PRESSURE: 3482800 -321.041 205.16 111.478 205.158 -300.642 274.012 111.48 274.012 -61.1917 GPRESSURE: 3482800 -300.471 242.327 85.3835 154.598 -269.035 261.573 73.5844 211.152 -24.2122 PRESSAVG: 3482800 1.17242 -6.11527 -13.2646 -6.11523 -47.3971 -6.45005 -13.2647 -6.4501 31.8395 GPRESSAVG: 3482800 1.40307 -4.5506 -14.3628 -6.98547 -47.1577 -5.52419 -14.3567 -7.36639 31.4119 TIMING: 3482800 CPU: 10111.4, 0.00290795/step Wall: 10111.4, 0.00290795/step, 1.22554 hours remaining, 207.691406 MB of memory in use. ENERGY: 3482800 768.9349 2058.9098 1968.4973 109.5669 -205990.1536 17592.0129 0.0000 0.0000 34239.6297 -149252.6020 299.0232 -183492.2317 -149157.9726 298.7810 -227.6249 -197.9063 558043.2086 -4.7951 -4.7809 PRESSURE: 3483000 13.9849 77.3996 -19.3931 77.3997 -79.7507 75.6528 -19.3916 75.6533 -143.059 GPRESSURE: 3483000 38.1316 43.8946 -116.286 125.096 -10.5277 144.81 53.0962 9.3809 -143.604 PRESSAVG: 3483000 10.6996 14.5482 14.6554 14.5482 -17.2938 21.1564 14.6554 21.1564 22.7329 GPRESSAVG: 3483000 11.3133 12.127 15.765 14.6227 -19.3416 21.6422 16.4644 20.7302 23.8707 TIMING: 3483000 CPU: 10112, 0.00289177/step Wall: 10112, 0.00289177/step, 1.21856 hours remaining, 207.691406 MB of memory in use. ENERGY: 3483000 722.2513 2121.3633 1950.9226 107.3955 -206151.9875 17851.6514 0.0000 0.0000 34223.0829 -149175.3203 298.8787 -183398.4032 -149083.2130 298.6016 -69.6083 -38.6666 559441.7456 5.3796 5.2808 PRESSURE: 3483200 -55.1818 -14.3061 -41.5348 -14.3057 69.3136 22.5392 -41.5331 22.5404 -103.063 GPRESSURE: 3483200 24.9632 -7.1925 -126.558 0.134579 117.159 4.46261 -23.734 21.223 -134.718 PRESSAVG: 3483200 55.2803 4.76702 -37.1904 4.76701 -29.8387 -7.12472 -37.1905 -7.12464 -12.2602 GPRESSAVG: 3483200 55.1771 6.30526 -39.2004 3.24122 -29.1566 -7.10858 -37.0945 -7.59631 -12.3607 TIMING: 3483200 CPU: 10112.6, 0.00290934/step Wall: 10112.6, 0.00290934/step, 1.2258 hours remaining, 207.691406 MB of memory in use. ENERGY: 3483200 755.5021 2100.2391 1972.2655 125.7522 -206072.8272 17662.4108 0.0000 0.0000 34383.5376 -149073.1197 300.2800 -183456.6573 -148969.2925 299.9480 -29.6437 2.4680 557357.3229 4.3938 4.5533 PRESSURE: 3483400 159.481 14.1694 28.5591 14.1696 49.7563 12.2767 28.558 12.2766 -23.8219 GPRESSURE: 3483400 187.609 -6.37268 81.8619 45.6632 65.6739 49.8009 -12.0144 6.98449 22.1271 PRESSAVG: 3483400 3.00783 3.69946 50.1362 3.69949 -6.20786 15.2822 50.1363 15.2822 46.1143 GPRESSAVG: 3483400 3.25299 2.71885 52.7839 5.69548 -5.93752 15.67 47.4273 14.9834 45.5755 TIMING: 3483400 CPU: 10113.1, 0.00290932/step Wall: 10113.1, 0.00290932/step, 1.22563 hours remaining, 207.691406 MB of memory in use. ENERGY: 3483400 748.3035 2113.1014 1969.5604 110.8221 -206581.9702 18179.8110 0.0000 0.0000 34340.6411 -149119.7307 299.9054 -183460.3718 -149022.7925 299.2124 61.8050 91.8034 557767.0419 14.3048 14.2970 PRESSURE: 3483600 57.8015 62.879 -31.0461 62.8797 -83.3896 -135.739 -31.0477 -135.739 48.8425 GPRESSURE: 3483600 82.64 116.217 -22.615 34.2285 -98.3563 -153.976 -15.294 -138.688 135.131 PRESSAVG: 3483600 -53.6516 21.4977 30.8026 21.4976 72.7841 28.426 30.8027 28.426 -45.852 GPRESSAVG: 3483600 -53.1785 23.7095 30.1391 22.416 72.3171 28.185 33.2611 29.2017 -45.7016 TIMING: 3483600 CPU: 10113.7, 0.00292096/step Wall: 10113.7, 0.00292096/step, 1.23038 hours remaining, 207.691406 MB of memory in use. ENERGY: 3483600 738.6959 2090.9167 1973.1285 114.6859 -206391.1557 17992.6240 0.0000 0.0000 34393.4931 -149087.6116 300.3669 -183481.1047 -148988.4183 299.5593 7.7515 39.8047 558013.0128 -8.9065 -8.8544 PRESSURE: 3483800 -171.034 -51.6539 -382.635 -51.6529 -23.1391 -177.526 -382.635 -177.527 -48.7751 GPRESSURE: 3483800 -91.2465 -114.198 -527.403 63.4301 -11.5069 -155.031 -286.197 -158.088 -43.8921 PRESSAVG: 3483800 33.7938 -19.253 -15.6263 -19.2531 -35.7772 46.0118 -15.6263 46.0117 -46.3364 GPRESSAVG: 3483800 32.2935 -21.557 -17.4345 -17.1779 -35.4015 46.2274 -14.9689 46.0184 -45.4226 TIMING: 3483800 CPU: 10114.3, 0.00292918/step Wall: 10114.3, 0.00292918/step, 1.23367 hours remaining, 207.691406 MB of memory in use. ENERGY: 3483800 784.9099 2094.5551 1928.2656 113.1529 -205907.1712 17748.1135 0.0000 0.0000 34233.1452 -149005.0291 298.9666 -183238.1743 -148908.9417 299.7041 -80.9826 -48.8818 558415.2569 -16.1066 -16.1769 PRESSURE: 3484000 -35.8644 14.2315 -36.994 14.2315 182.324 100.866 -36.9949 100.866 -178.153 GPRESSURE: 3484000 38.4619 -11.4587 -45.5428 -0.111291 157.457 103.823 -58.4398 115.262 -125.019 PRESSAVG: 3484000 66.1551 -11.0315 -54.9848 -11.0316 -13.6857 -16.6145 -54.9848 -16.6144 -12.6235 GPRESSAVG: 3484000 66.5373 -10.276 -52.8188 -14.7664 -12.8034 -15.0104 -57.319 -17.5225 -13.8026 TIMING: 3484000 CPU: 10114.9, 0.00293235/step Wall: 10114.9, 0.00293235/step, 1.23484 hours remaining, 207.691406 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: 3484000 713.6134 2089.6034 1960.1766 101.8686 -206008.0944 17757.7079 0.0000 0.0000 34334.6158 -149050.5087 299.8527 -183385.1245 -148960.5659 299.7527 -10.5645 23.6334 559753.2073 13.2820 13.3104 PRESSURE: 3484200 -74.1731 43.0818 6.87495 43.0816 -83.858 -133.323 6.87461 -133.325 31.2666 GPRESSURE: 3484200 -75.6403 -10.9082 20.1717 76.5558 -68.4731 -139.803 -5.16354 -72.2824 109.405 PRESSAVG: 3484200 16.3363 32.2018 27.138 32.2017 -46.7798 -5.3459 27.138 -5.34578 14.3984 GPRESSAVG: 3484200 16.7547 32.8436 27.1934 32.6773 -47.8942 -6.23362 26.8077 -4.6197 15.0669 TIMING: 3484200 CPU: 10115.5, 0.0029634/step Wall: 10115.5, 0.0029634/step, 1.24776 hours remaining, 207.691406 MB of memory in use. ENERGY: 3484200 739.2857 2101.2463 1967.7298 105.6706 -206062.6303 17752.0561 0.0000 0.0000 34465.7770 -148930.8648 300.9982 -183396.6418 -148831.9688 299.6553 -42.2548 -11.5696 557779.4787 -5.3483 -5.3575 LDB: ============= START OF LOAD BALANCING ============== 10119 LDB: ============== END OF LOAD BALANCING =============== 10119 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10119 LDB: ============= START OF LOAD BALANCING ============== 10119.3 LDB: Largest compute 4820 load 0.031731 is 26.9% of average load 0.117949 LDB: Average compute 0.001721 is 1.5% of average load 0.117949 LDB: TIME 10119.3 LOAD: AVG 0.117949 MAX 0.17808 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.863 MB LDB: TIME 10119.3 LOAD: AVG 0.117949 MAX 0.17808 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: TIME 10119.3 LOAD: AVG 0.117949 MAX 0.17808 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 10119.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10119.3 PRESSURE: 3484400 -177.647 167.897 88.8818 167.897 -101.368 90.7768 88.8832 90.7767 -336.555 GPRESSURE: 3484400 -158.617 144.619 132.124 142.554 -61.1194 181.932 75.8051 77.6054 -301.222 PRESSAVG: 3484400 3.88144 7.40435 62.9113 7.40444 21.2832 77.6752 62.9113 77.6751 -24.4212 GPRESSAVG: 3484400 3.14036 5.67889 63.1811 7.83266 22.0398 77.5058 63.4385 77.8651 -24.5652 TIMING: 3484400 CPU: 10116.1, 0.00300763/step Wall: 10116.1, 0.00300763/step, 1.26621 hours remaining, 207.234375 MB of memory in use. ENERGY: 3484400 774.9707 2054.1525 1974.3330 118.0105 -206043.5693 17560.3482 0.0000 0.0000 34351.4035 -149210.3509 299.9994 -183561.7544 -149114.4100 299.4622 -205.1899 -173.6528 559519.4286 0.2478 0.2050 PRESSURE: 3484600 -41.1394 31.9509 -91.8832 31.9504 -113.888 -92.6617 -91.8836 -92.6606 -0.613639 GPRESSURE: 3484600 31.301 51.7002 -54.2453 -63.1646 -109.43 -94.836 -100.826 -133.925 12.6661 PRESSAVG: 3484600 79.6488 52.2914 -43.1259 52.2913 -28.1097 -19.8727 -43.1259 -19.8728 -38.6399 GPRESSAVG: 3484600 80.0131 52.4741 -42.8488 51.9038 -28.1392 -19.8865 -43.0501 -20.0647 -39.1361 TIMING: 3484600 CPU: 10116.7, 0.0029444/step Wall: 10116.7, 0.0029444/step, 1.23943 hours remaining, 207.695312 MB of memory in use. ENERGY: 3484600 752.1056 2058.2574 1931.7526 119.8305 -206064.5376 17760.2537 0.0000 0.0000 34228.0163 -149214.3215 298.9218 -183442.3378 -149113.0933 298.4610 -51.8805 -21.8209 558464.6271 4.2997 4.2459 PRESSURE: 3484800 79.8026 35.0146 67.3823 35.0133 -193.617 -53.9755 67.3825 -53.9755 -88.6081 GPRESSURE: 3484800 143.628 111.363 40.9198 34.8699 -188.043 -19.5692 121.525 -113.679 -58.2083 PRESSAVG: 3484800 -5.15401 22.7399 13.9169 22.7399 -78.5503 -75.7801 13.9168 -75.78 -6.57694 GPRESSAVG: 3484800 -4.56405 23.3723 12.5381 24.6383 -78.9339 -76.7287 14.3806 -75.3857 -6.53058 TIMING: 3484800 CPU: 10117.3, 0.00291483/step Wall: 10117.3, 0.00291483/step, 1.22682 hours remaining, 207.847656 MB of memory in use. ENERGY: 3484800 726.4241 2108.5138 1952.0920 118.5267 -206336.5194 17758.0009 0.0000 0.0000 34251.9415 -149421.0205 299.1307 -183672.9620 -149321.6703 298.7811 -67.4743 -34.2079 557765.7603 -30.0938 -30.0095 PRESSURE: 3485000 -110.314 59.89 -5.6562 59.8909 -129.668 -142.95 -5.65563 -142.951 -341.85 GPRESSURE: 3485000 -117.785 52.0352 -57.6552 -14.2902 -114.962 -207.973 61.5828 -180.307 -251.76 PRESSAVG: 3485000 33.6635 42.0623 -58.464 42.0623 -54.6873 -22.3277 -58.464 -22.3277 18.3298 GPRESSAVG: 3485000 33.8404 40.874 -59.9286 42.2567 -54.1758 -21.9397 -57.3297 -23.1525 17.2265 TIMING: 3485000 CPU: 10117.8, 0.00292423/step Wall: 10117.8, 0.00292423/step, 1.23061 hours remaining, 207.847656 MB of memory in use. ENERGY: 3485000 759.6032 2161.8894 1947.0888 106.9217 -206377.7228 17726.3023 0.0000 0.0000 34128.8880 -149547.0294 298.0561 -183675.9175 -149448.8815 298.8546 -193.9440 -161.5021 556220.2280 -0.8980 -1.0363 PRESSURE: 3485200 115.163 98.5646 0.166822 98.564 -90.1686 -60.8 0.167241 -60.7987 -17.7391 GPRESSURE: 3485200 151.095 76.5111 -7.71013 111.042 -80.7386 -39.4052 11.1038 -136.713 36.7241 PRESSAVG: 3485200 -15.2942 9.31545 -62.8091 9.31545 -10.9413 -38.3673 -62.8091 -38.3674 51.5262 GPRESSAVG: 3485200 -14.9679 9.82872 -61.1002 8.80841 -11.39 -39.737 -64.3193 -37.7822 51.3021 TIMING: 3485200 CPU: 10118.4, 0.00293749/step Wall: 10118.4, 0.00293748/step, 1.23603 hours remaining, 207.847656 MB of memory in use. ENERGY: 3485200 763.5138 2064.1826 1987.2768 102.7105 -206347.0535 17937.3561 0.0000 0.0000 34117.7984 -149374.2153 297.9592 -183492.0137 -149283.7202 298.5451 2.4186 35.6934 557848.6461 8.4302 8.3148 PRESSURE: 3485400 -96.5113 -92.365 -192.847 -92.3653 -114.423 31.0759 -192.847 31.0744 -72.5043 GPRESSURE: 3485400 -11.2106 0.102096 -244.978 -179.753 -140.777 46.5671 -213.242 50.1053 -26.1215 PRESSAVG: 3485400 -81.5284 8.36412 -2.12076 8.3641 16.3798 -27.1061 -2.12077 -27.1062 35.7283 GPRESSAVG: 3485400 -83.0936 10.7303 -2.8401 7.87831 16.0467 -26.668 -0.0884739 -26.0638 37.3956 TIMING: 3485400 CPU: 10119, 0.00295094/step Wall: 10119, 0.00295094/step, 1.24153 hours remaining, 207.847656 MB of memory in use. ENERGY: 3485400 749.4029 2041.6703 1981.0939 119.2698 -206082.8673 17742.0159 0.0000 0.0000 34314.8853 -149134.5293 299.6804 -183449.4146 -149032.4029 298.5540 -94.4794 -59.3696 559259.6683 -9.8068 -9.8838 PRESSURE: 3485600 88.3744 -140.366 2.86287 -140.366 -363.605 -122.017 2.86247 -122.016 -102.734 GPRESSURE: 3485600 78.1019 -44.2276 49.2716 -135.724 -338.221 -127.852 62.8889 -62.4464 -13.2625 PRESSAVG: 3485600 2.77689 15.4642 -61.8579 15.4642 -6.47735 -5.80539 -61.8578 -5.80555 38.4948 GPRESSAVG: 3485600 2.59134 13.5877 -61.6012 15.3212 -6.11986 -5.675 -62.5195 -6.60553 37.7717 TIMING: 3485600 CPU: 10119.6, 0.00294347/step Wall: 10119.6, 0.00294347/step, 1.23822 hours remaining, 207.847656 MB of memory in use. ENERGY: 3485600 756.8426 2086.3976 1963.2613 95.1263 -205976.7888 17615.8032 0.0000 0.0000 34289.1895 -149170.1684 299.4560 -183459.3579 -149067.0731 299.3569 -125.9881 -91.1273 558937.1468 11.5981 11.4144 PRESSURE: 3485800 224.962 -181.32 -54.471 -181.322 67.7448 -162.554 -54.4715 -162.555 -112.184 GPRESSURE: 3485800 206.382 -204.367 -22.6758 -168.519 134.853 -83.4662 13.2386 -208.71 -66.2458 PRESSAVG: 3485800 -42.1864 -42.5516 -32.7105 -42.5516 18.2605 -48.3604 -32.7105 -48.3603 11.4182 GPRESSAVG: 3485800 -42.7806 -42.5269 -32.0775 -44.7582 17.6674 -48.7753 -32.5417 -49.3176 13.0057 TIMING: 3485800 CPU: 10120.2, 0.00293984/step Wall: 10120.2, 0.00293984/step, 1.23653 hours remaining, 207.847656 MB of memory in use. ENERGY: 3485800 716.6797 2066.5855 1957.4703 109.6615 -205891.2303 17862.5427 0.0000 0.0000 34087.8455 -149090.4451 297.6976 -183178.2906 -148996.2138 299.2193 60.1744 91.6633 557759.8774 -4.1692 -4.0358 PRESSURE: 3486000 -146.133 -56.3573 -87.8574 -56.3586 -185.73 67.3879 -87.8576 67.3883 -225.716 GPRESSURE: 3486000 -90.1505 -81.4498 -98.4768 -109.527 -194.892 39.7704 -54.6445 110.659 -184.568 PRESSAVG: 3486000 12.7614 -32.3653 -2.07503 -32.3653 11.799 -21.5769 -2.07504 -21.5769 -16.3653 GPRESSAVG: 3486000 13.9705 -32.4162 -2.54286 -31.365 11.5415 -19.4107 -2.0198 -21.7799 -17.2456 TIMING: 3486000 CPU: 10120.8, 0.00291802/step Wall: 10120.8, 0.00291802/step, 1.22719 hours remaining, 207.847656 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: 3486000 772.6958 2095.6545 1939.2714 120.4108 -205927.5722 17662.0867 0.0000 0.0000 34245.6644 -149091.7885 299.0759 -183337.4530 -149003.8816 299.1299 -185.8597 -156.5371 559476.2386 2.7317 2.7555 PRESSURE: 3486200 -51.5531 80.1588 -172.198 80.1582 -252.893 -59.2369 -172.199 -59.2369 -264.029 GPRESSURE: 3486200 -53.0881 102.824 -219.519 106.664 -232.18 -104.921 -114.321 -58.7611 -207.54 PRESSAVG: 3486200 18.5226 6.15081 -45.3332 6.1507 -21.8905 -18.418 -45.3333 -18.418 16.6058 GPRESSAVG: 3486200 17.6325 5.43922 -46.6377 7.12634 -22.1139 -19.9488 -44.7518 -17.1556 17.114 TIMING: 3486200 CPU: 10121.4, 0.00294335/step Wall: 10121.4, 0.00294335/step, 1.23768 hours remaining, 207.847656 MB of memory in use. ENERGY: 3486200 748.7260 2085.7163 1939.2150 103.3538 -206076.9095 17672.0570 0.0000 0.0000 34212.5012 -149315.3402 298.7863 -183527.8414 -149209.0226 298.6817 -189.4917 -164.2694 559433.6572 4.4126 4.2109 PRESSURE: 3486400 -25.5356 -130.125 -220.36 -130.124 161.882 42.693 -220.361 42.693 -36.156 GPRESSURE: 3486400 61.9672 -101.547 -220.229 -87.0317 160.67 37.6639 -232.985 -2.21539 -31.041 PRESSAVG: 3486400 4.27737 -6.25077 -79.9808 -6.25075 11.1327 -42.4964 -79.9808 -42.4963 16.9387 GPRESSAVG: 3486400 5.07385 -5.81516 -75.9497 -6.80082 11.8374 -41.155 -82.1542 -43.8286 16.1465 TIMING: 3486400 CPU: 10122, 0.00293999/step Wall: 10122, 0.00293999/step, 1.2361 hours remaining, 207.847656 MB of memory in use. ENERGY: 3486400 777.3092 2054.0725 1964.6138 113.6173 -206536.5222 18089.4670 0.0000 0.0000 34330.9674 -149206.4750 299.8209 -183537.4424 -149113.4977 299.1397 33.3968 63.8655 558371.0013 10.7829 11.0193 PRESSURE: 3486600 -44.0653 24.9018 -50.8822 24.9004 165.561 47.4174 -50.8815 47.4175 237.886 GPRESSURE: 3486600 -19.8291 83.7066 -35.0232 -23.0087 169.143 18.714 -33.4769 65.6374 297.824 PRESSAVG: 3486600 -28.9795 5.34414 -34.8839 5.34398 33.0403 -20.467 -34.884 -20.4669 -7.51991 GPRESSAVG: 3486600 -29.2973 5.87505 -35.8725 5.2614 32.5888 -21.3362 -34.4556 -18.4965 -6.9024 TIMING: 3486600 CPU: 10122.6, 0.00296603/step Wall: 10122.6, 0.00296603/step, 1.24689 hours remaining, 207.847656 MB of memory in use. ENERGY: 3486600 738.6972 2063.1182 1947.5381 115.8075 -206160.7460 18028.6140 0.0000 0.0000 34277.3678 -148989.6032 299.3528 -183266.9710 -148894.6420 299.4754 119.7938 149.0459 558372.4409 -1.1530 -1.2036 PRESSURE: 3486800 -50.4419 215.268 -183.673 215.269 3.68611 96.0882 -183.674 96.0874 60.9215 GPRESSURE: 3486800 -52.3182 202.083 -136.742 152.876 61.1149 56.661 -190.93 176.602 101.943 PRESSAVG: 3486800 21.5108 17.2273 -17.8837 17.2272 35.2866 -38.9408 -17.8838 -38.9409 -40.6851 GPRESSAVG: 3486800 20.0582 17.3027 -18.6451 18.4868 36.8031 -37.6157 -19.9406 -40.6596 -41.3406 TIMING: 3486800 CPU: 10123.1, 0.00295174/step Wall: 10123.1, 0.00295174/step, 1.24071 hours remaining, 207.964844 MB of memory in use. ENERGY: 3486800 699.6841 2033.6632 1944.7342 112.6613 -205808.4042 17762.9844 0.0000 0.0000 34372.3004 -148882.3766 300.1818 -183254.6770 -148783.9855 299.5922 4.7219 36.9133 558193.5898 5.3708 5.1736 PRESSURE: 3487000 -107.84 -96.6972 -123.105 -96.6972 -59.0306 12.9728 -123.105 12.9717 -69.3466 GPRESSURE: 3487000 -52.5556 -155.107 -140.138 -111.832 -57.3885 -36.1169 -104.247 5.68403 -34.2481 PRESSAVG: 3487000 -17.4851 -57.172 -61.5206 -57.1719 36.4918 -16.457 -61.5205 -16.4572 10.2258 GPRESSAVG: 3487000 -17.0779 -58.7696 -62.811 -56.8785 35.8667 -18.7188 -58.8488 -15.3174 10.5184 TIMING: 3487000 CPU: 10123.7, 0.00295182/step Wall: 10123.7, 0.00295182/step, 1.24058 hours remaining, 207.964844 MB of memory in use. ENERGY: 3487000 740.7508 2113.2288 1981.6754 109.0549 -205954.4159 17839.3380 0.0000 0.0000 34198.2982 -148972.0698 298.6622 -183170.3680 -148875.4356 299.2131 -78.7391 -48.0641 559581.3047 9.7442 9.7690 PRESSURE: 3487200 -184.629 29.7279 100.296 29.7274 170.914 -84.6399 100.296 -84.6398 -91.8575 GPRESSURE: 3487200 -161.86 -17.1891 8.21643 48.4795 232.882 -33.5614 164.158 -41.6023 -91.4322 PRESSAVG: 3487200 -12.2275 -43.6745 -44.0214 -43.6745 -15.4599 28.2703 -44.0214 28.2702 -14.5249 GPRESSAVG: 3487200 -11.4787 -40.9146 -42.7105 -43.8399 -14.8944 29.1424 -43.8697 28.3844 -15.5933 TIMING: 3487200 CPU: 10124.3, 0.00294851/step Wall: 10124.3, 0.00294851/step, 1.23903 hours remaining, 207.964844 MB of memory in use. ENERGY: 3487200 721.1807 2056.7944 1958.1669 114.2676 -205967.4193 17798.1162 0.0000 0.0000 34285.8649 -149033.0287 299.4270 -183318.8936 -148929.6134 298.6408 -35.1910 -6.8032 559657.9960 -14.0708 -13.9888 PRESSURE: 3487400 49.6912 212.72 20.7489 212.718 -88.5708 77.3907 20.7503 77.3913 -55.1346 GPRESSURE: 3487400 70.9074 229.343 23.4923 179.741 -86.5672 117.456 88.9127 74.3913 5.82918 PRESSAVG: 3487400 1.02469 46.5663 -29.0681 46.5662 50.8701 27.0536 -29.0682 27.0536 -40.0696 GPRESSAVG: 3487400 0.367395 42.2007 -29.5954 45.8149 50.9924 27.2393 -29.438 26.6839 -39.913 TIMING: 3487400 CPU: 10124.9, 0.00294446/step Wall: 10124.9, 0.00294446/step, 1.23716 hours remaining, 207.964844 MB of memory in use. ENERGY: 3487400 748.5695 2076.2928 1962.8494 116.9244 -205985.1394 17820.4167 0.0000 0.0000 34244.9602 -149015.1265 299.0698 -183260.0867 -148908.5934 299.9629 -31.3381 -3.2769 558469.2857 3.9417 3.8156 PRESSURE: 3487600 -89.2986 138.684 127.08 138.683 -80.7103 4.24003 127.08 4.23918 -109.132 GPRESSURE: 3487600 -5.28965 181.754 155.607 131.562 -41.075 31.7721 136.491 -63.4765 -135.983 PRESSAVG: 3487600 6.8228 37.8772 36.0597 37.8771 25.7342 -25.3536 36.0597 -25.3537 -61.3456 GPRESSAVG: 3487600 6.11159 40.0059 38.1986 37.9941 25.1396 -24.3544 35.6229 -28.1563 -60.7051 TIMING: 3487600 CPU: 10125.5, 0.00291812/step Wall: 10125.5, 0.00291812/step, 1.22593 hours remaining, 207.964844 MB of memory in use. ENERGY: 3487600 777.1149 2050.2918 1953.2234 101.8755 -205699.0371 17691.3882 0.0000 0.0000 34149.1732 -148975.9702 298.2332 -183125.1434 -148875.6758 299.4832 -93.0470 -60.7825 558704.2804 -9.5962 -9.8180 PRESSURE: 3487800 -89.5772 -85.1166 -144.639 -85.1175 -151.741 174.782 -144.638 174.782 77.8676 GPRESSURE: 3487800 -89.8695 -41.6816 -143.202 -123.877 -136.702 161.208 -191.09 206.424 167.358 PRESSAVG: 3487800 23.9568 -2.38763 -9.01621 -2.38762 -52.9142 -26.6329 -9.0162 -26.6329 0.0999739 GPRESSAVG: 3487800 25.9255 -3.38772 -11.4656 -1.50829 -53.7844 -26.673 -8.92193 -26.5503 -1.09671 TIMING: 3487800 CPU: 10126.1, 0.0029195/step Wall: 10126.1, 0.0029195/step, 1.22635 hours remaining, 207.964844 MB of memory in use. ENERGY: 3487800 767.9507 2050.3997 1967.6722 103.2749 -206138.7690 17892.3444 0.0000 0.0000 34134.8262 -149222.3008 298.1079 -183357.1270 -149126.7577 299.5629 -54.4835 -19.7379 559510.5592 -9.6191 -9.6519 PRESSURE: 3488000 -462.333 96.0009 -39.3056 96.0009 -39.1866 94.9461 -39.3067 94.945 -245.225 GPRESSURE: 3488000 -411.387 38.2292 -30.3541 61.2783 -16.2116 28.775 -51.5168 85.6333 -218.166 PRESSAVG: 3488000 28.3111 39.8853 5.59018 39.8852 10.9254 29.8557 5.59011 29.8556 -6.3788 GPRESSAVG: 3488000 26.9221 40.9295 5.72942 37.5713 10.1079 26.5417 6.9621 32.9884 -4.60834 TIMING: 3488000 CPU: 10126.7, 0.00292044/step Wall: 10126.7, 0.00292044/step, 1.22658 hours remaining, 207.964844 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: 3488000 746.2035 2061.4796 1963.7811 93.7093 -205644.3153 17425.0899 0.0000 0.0000 34128.8128 -149225.2390 298.0554 -183354.0519 -149133.7737 298.6246 -248.9146 -215.2548 558977.7858 10.9526 10.8072 PRESSURE: 3488200 -91.0156 -41.7876 158.642 -41.7868 138.809 180.474 158.642 180.474 -86.1264 GPRESSURE: 3488200 -72.0892 -26.057 166.822 -66.4073 174.369 133.463 109.919 175.538 -48.8801 PRESSAVG: 3488200 -1.75447 -36.292 -51.021 -36.292 -12.5735 6.13548 -51.0211 6.13537 20.3169 GPRESSAVG: 3488200 -1.71576 -35.195 -50.5522 -37.9004 -10.68 9.7169 -52.2378 4.56542 17.8948 TIMING: 3488200 CPU: 10127.3, 0.00294702/step Wall: 10127.3, 0.00294702/step, 1.23758 hours remaining, 207.964844 MB of memory in use. ENERGY: 3488200 726.2537 2042.1889 1969.3647 103.1330 -206309.9402 17817.0891 0.0000 0.0000 34322.5735 -149329.3373 299.7476 -183651.9108 -149230.0304 299.3475 -12.7775 17.8000 557866.8827 1.9963 1.8330 LDB: ============= START OF LOAD BALANCING ============== 10130.7 LDB: ============== END OF LOAD BALANCING =============== 10130.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10130.7 LDB: ============= START OF LOAD BALANCING ============== 10131 LDB: Largest compute 4820 load 0.031571 is 26.8% of average load 0.117894 LDB: Average compute 0.001722 is 1.5% of average load 0.117894 LDB: TIME 10131 LOAD: AVG 0.117894 MAX 0.178288 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.262 MB LDB: TIME 10131 LOAD: AVG 0.117894 MAX 0.178288 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.262 MB LDB: TIME 10131 LOAD: AVG 0.117894 MAX 0.178288 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10131 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10131 PRESSURE: 3488400 -251.125 -263.695 -152.202 -263.696 83.591 171.532 -152.202 171.532 -112.464 GPRESSURE: 3488400 -227.912 -196.656 -173.18 -238.709 188.02 91.4475 -121.326 156.132 -141.798 PRESSAVG: 3488400 -26.2512 -17.6003 -19.3934 -17.6003 28.1845 71.4947 -19.3935 71.4946 -4.54345 GPRESSAVG: 3488400 -26.3585 -16.4879 -20.2251 -17.6859 28.2297 70.7239 -16.0245 74.5101 -4.5826 TIMING: 3488400 CPU: 10127.9, 0.0029888/step Wall: 10127.9, 0.0029888/step, 1.25496 hours remaining, 207.105469 MB of memory in use. ENERGY: 3488400 731.3515 2004.1943 1992.9895 110.0857 -206014.0457 17534.2437 0.0000 0.0000 34119.7596 -149521.4214 297.9763 -183641.1810 -149424.6921 298.3645 -93.3325 -60.5636 557607.6239 -0.8701 -0.9038 PRESSURE: 3488600 30.2787 -113.142 -41.0346 -113.142 -199.475 4.27746 -41.0348 4.27732 114.421 GPRESSURE: 3488600 65.7938 -81.5111 -45.112 -106.775 -197.102 -24.6658 -42.0946 23.1178 168.709 PRESSAVG: 3488600 7.87671 -6.87838 -59.7522 -6.87845 -33.2253 6.02235 -59.7522 6.02225 50.5974 GPRESSAVG: 3488600 7.90391 -7.97398 -59.0579 -5.77324 -33.8036 4.19483 -61.9545 4.80267 50.9907 TIMING: 3488600 CPU: 10128.4, 0.00295155/step Wall: 10128.4, 0.00295155/step, 1.23916 hours remaining, 207.105469 MB of memory in use. ENERGY: 3488600 716.4269 2055.2210 1987.2863 103.0917 -206154.3539 17743.4281 0.0000 0.0000 33975.2071 -149573.6929 296.7139 -183548.9000 -149474.6099 298.0193 -18.2583 12.4670 555730.5179 8.4163 8.3637 PRESSURE: 3488800 -143.258 116.863 -180.391 116.863 72.5955 91.3977 -180.392 91.3972 -172.151 GPRESSURE: 3488800 -153.83 79.5468 -224.468 94.3083 161.742 77.4866 -150.491 74.243 -150.895 PRESSAVG: 3488800 2.37771 -10.6417 -46.233 -10.6417 -30.2167 64.6206 -46.233 64.6206 32.2572 GPRESSAVG: 3488800 2.50913 -13.6727 -45.7962 -7.9833 -30.4231 67.1017 -48.0362 63.6488 32.7009 TIMING: 3488800 CPU: 10129, 0.00296989/step Wall: 10129, 0.00296989/step, 1.24669 hours remaining, 207.105469 MB of memory in use. ENERGY: 3488800 737.6852 2054.0642 1967.7595 126.9541 -206184.1898 17725.4673 0.0000 0.0000 34175.2186 -149397.0410 298.4607 -183572.2595 -149307.1804 298.4407 -80.9378 -47.6608 556399.4027 1.4727 1.5957 PRESSURE: 3489000 91.5403 66.7017 -54.4004 66.7029 -257.233 -13.5798 -54.4016 -13.5812 73.9481 GPRESSURE: 3489000 147.725 90.6446 -97.6745 69.7485 -201.967 -22.6933 -20.9146 -21.2386 48.9373 PRESSAVG: 3489000 -36.5201 -9.72594 -28.9066 -9.72597 43.3567 27.5908 -28.9067 27.5907 10.7454 GPRESSAVG: 3489000 -37.2221 -7.72628 -30.2419 -12.8307 43.7391 25.7066 -28.8848 27.1265 10.4729 TIMING: 3489000 CPU: 10129.6, 0.00292864/step Wall: 10129.6, 0.00292864/step, 1.22921 hours remaining, 207.105469 MB of memory in use. ENERGY: 3489000 747.8419 2048.3634 1963.7623 110.1921 -206515.4623 17888.6824 0.0000 0.0000 34494.5776 -149262.0426 301.2497 -183756.6202 -149168.1580 298.8491 -30.5816 -1.7683 558486.8657 5.8607 5.6633 PRESSURE: 3489200 -74.6109 -40.4501 112.955 -40.4504 -57.9643 42.3345 112.955 42.3356 99.3616 GPRESSURE: 3489200 -9.8904 33.3479 177.827 -4.73624 -27.4103 26.8803 174.613 45.4373 110.732 PRESSAVG: 3489200 -11.6525 21.5045 -9.93828 21.5046 -44.5738 38.0983 -9.93837 38.0983 36.3501 GPRESSAVG: 3489200 -12.631 19.658 -9.54352 24.7969 -44.3236 39.15 -6.80119 38.814 36.8386 TIMING: 3489200 CPU: 10130.2, 0.00295183/step Wall: 10130.2, 0.00295183/step, 1.23878 hours remaining, 207.105469 MB of memory in use. ENERGY: 3489200 715.5020 2066.5890 1967.0706 114.5798 -206410.8469 17889.5596 0.0000 0.0000 34334.0955 -149323.4504 299.8482 -183657.5460 -149237.1222 299.3210 -11.0712 24.4772 558698.7162 -6.6254 -6.7053 PRESSURE: 3489400 -279.825 -12.8524 -9.56184 -12.8522 -91.239 72.2663 -9.56043 72.2661 -87.6116 GPRESSURE: 3489400 -245.587 -40.1819 4.88334 -68.4442 -41.0999 19.4062 -26.5375 151.598 -81.5353 PRESSAVG: 3489400 -41.5968 7.27182 9.37373 7.27189 -29.2238 44.2337 9.37369 44.2337 25.1887 GPRESSAVG: 3489400 -41.4188 8.82092 10.8522 5.00512 -29.7135 44.1103 6.43542 45.2321 25.9642 TIMING: 3489400 CPU: 10130.8, 0.00293984/step Wall: 10130.8, 0.00293984/step, 1.23359 hours remaining, 207.105469 MB of memory in use. ENERGY: 3489400 751.4811 2100.0132 1952.3607 128.7534 -205507.4582 17427.7373 0.0000 0.0000 34024.3224 -149122.7902 297.1429 -183147.1126 -149026.3265 299.3746 -152.8917 -122.7408 559000.5277 -15.2107 -15.0560 PRESSURE: 3489600 -93.3471 -58.0052 63.1248 -58.0058 -5.75321 -29.3281 63.1232 -29.3278 155.597 GPRESSURE: 3489600 -10.4354 -97.8699 128.41 4.64575 -0.999255 -73.2533 30.2565 17.3627 162.382 PRESSAVG: 3489600 -9.98473 -10.7546 44.1906 -10.7546 2.96585 -46.5698 44.1905 -46.5697 -13.0105 GPRESSAVG: 3489600 -9.65745 -9.78568 44.6203 -10.227 2.56759 -48.4155 44.3834 -46.405 -13.1664 TIMING: 3489600 CPU: 10131.4, 0.00293748/step Wall: 10131.4, 0.00293748/step, 1.23244 hours remaining, 207.105469 MB of memory in use. ENERGY: 3489600 767.2173 2068.5581 1979.4811 116.3547 -206059.7172 17796.5602 0.0000 0.0000 34262.6308 -149068.9151 299.2241 -183331.5458 -148975.5006 298.9145 18.8322 50.3156 557316.6003 -6.6765 -6.7521 PRESSURE: 3489800 174.507 42.2767 -130.227 42.276 -37.0744 -7.15617 -130.226 -7.15719 -30.9067 GPRESSURE: 3489800 260.401 101.466 -52.0372 99.5533 -42.3025 73.5929 -165.272 2.96854 -9.82379 PRESSAVG: 3489800 38.805 -3.5049 -37.3189 -3.50485 41.6952 -9.49489 -37.3189 -9.49488 -17.6398 GPRESSAVG: 3489800 38.1602 -5.96518 -39.4157 -2.87708 43.0946 -5.46839 -35.7593 -12.7711 -18.3983 TIMING: 3489800 CPU: 10132, 0.00294576/step Wall: 10132, 0.00294576/step, 1.23575 hours remaining, 207.105469 MB of memory in use. ENERGY: 3489800 700.0811 2143.7962 1978.4660 112.7217 -206425.2017 17859.6262 0.0000 0.0000 34575.0122 -149055.4983 301.9522 -183630.5105 -148954.7293 299.7676 35.5088 69.4250 557504.1311 20.9535 20.9522 PRESSURE: 3490000 -6.77951 85.8922 -59.481 85.8923 2.98233 49.0545 -59.4809 49.0548 -231.607 GPRESSURE: 3490000 93.7315 18.5256 -99.0128 33.9379 0.280928 148.223 -10.9079 61.7563 -229.603 PRESSAVG: 3490000 -39.8705 -5.33246 -1.06091 -5.33249 24.2821 59.0723 -1.06084 59.0723 50.6882 GPRESSAVG: 3490000 -39.8234 -4.07143 0.328341 -7.71218 23.228 57.8138 -2.16414 60.9625 52.1701 TIMING: 3490000 CPU: 10132.6, 0.00293984/step Wall: 10132.6, 0.00293984/step, 1.2331 hours remaining, 207.105469 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: 3490000 722.9133 2166.1121 1964.9506 111.8363 -205934.3283 17620.7068 0.0000 0.0000 34407.8922 -148939.9169 300.4927 -183347.8091 -148832.6406 299.6906 -78.4682 -45.1968 558409.1564 11.6999 11.8582 PRESSURE: 3490200 -71.5711 -31.3963 -122.858 -31.3956 -160.815 -92.4121 -122.859 -92.4125 221.62 GPRESSURE: 3490200 -157.514 -73.6785 -206.526 125.225 -81.1976 -35.6434 -125.431 -114.924 317.204 PRESSAVG: 3490200 -15.6851 66.0053 -6.81565 66.0052 -21.3968 50.5946 -6.81568 50.5945 16.8407 GPRESSAVG: 3490200 -15.1955 64.7632 -8.12839 67.4085 -21.4288 49.937 -6.86681 51.8375 16.3498 TIMING: 3490200 CPU: 10133.2, 0.00291124/step Wall: 10133.2, 0.00291124/step, 1.22094 hours remaining, 207.105469 MB of memory in use. ENERGY: 3490200 737.8098 2060.3430 1986.2818 125.0457 -205723.8531 17690.0223 0.0000 0.0000 34291.0922 -148833.2582 299.4726 -183124.3504 -148731.3874 300.0002 -3.5886 26.1642 558659.4343 -6.7471 -6.7582 PRESSURE: 3490400 84.9979 10.9018 -82.035 10.902 -181.236 51.0601 -82.0353 51.0606 49.1838 GPRESSURE: 3490400 115.006 -5.54777 -102.045 97.4803 -144.336 43.2666 -95.1892 19.0649 78.1293 PRESSAVG: 3490400 -10.7259 47.9371 24.8042 47.9371 -9.80368 54.9474 24.8042 54.9474 54.2754 GPRESSAVG: 3490400 -10.0205 48.9197 26.0559 47.495 -10.5041 53.4414 23.3234 54.3268 54.4211 TIMING: 3490400 CPU: 10133.7, 0.00290753/step Wall: 10133.7, 0.00290753/step, 1.21923 hours remaining, 207.105469 MB of memory in use. ENERGY: 3490400 756.3307 2117.5846 1943.5424 116.3325 -205725.6390 17633.7770 0.0000 0.0000 34337.4546 -148820.6172 299.8775 -183158.0718 -148731.4382 299.8044 -15.6848 16.2663 557957.9136 11.2486 11.2988 PRESSURE: 3490600 -144.705 -13.9481 -103.225 -13.9464 53.7497 -133.85 -103.225 -133.852 66.0839 GPRESSURE: 3490600 -114.051 -37.6532 -80.7495 -55.8462 90.0208 -188.406 -141.506 -98.7067 90.722 PRESSAVG: 3490600 78.4217 13.0025 17.3195 13.0024 -6.36073 3.50245 17.3197 3.50242 -40.9462 GPRESSAVG: 3490600 78.4877 10.8999 18.0508 13.087 -6.22791 4.6406 17.968 4.77558 -40.5178 TIMING: 3490600 CPU: 10134.3, 0.00292283/step Wall: 10134.3, 0.00292283/step, 1.22548 hours remaining, 207.105469 MB of memory in use. ENERGY: 3490600 751.9026 2118.7816 1946.7769 113.4416 -206092.6490 17904.3334 0.0000 0.0000 34527.4117 -148730.0011 301.5365 -183257.4128 -148643.4430 300.7184 -8.2905 22.2307 558468.9554 10.3716 10.5807 PRESSURE: 3490800 -64.751 -100.465 16.5214 -100.466 20.4949 -167.005 16.5225 -167.004 29.2974 GPRESSURE: 3490800 -71.891 -48.1833 23.9789 -121.152 59.564 -147.591 72.1507 -172.935 79.523 PRESSAVG: 3490800 -65.3784 -42.1004 58.3066 -42.1003 41.9251 -6.47125 58.3065 -6.4712 25.9405 GPRESSAVG: 3490800 -65.8391 -39.252 56.9901 -42.9676 41.8019 -8.79163 58.4492 -6.804 26.9419 TIMING: 3490800 CPU: 10134.9, 0.00292644/step Wall: 10134.9, 0.00292644/step, 1.22683 hours remaining, 207.105469 MB of memory in use. ENERGY: 3490800 769.5686 2091.9821 1960.1588 116.6162 -206115.1509 17859.6127 0.0000 0.0000 34414.3411 -148902.8714 300.5490 -183317.2125 -148810.1299 300.9836 -4.9862 22.3987 558658.1847 0.8291 0.9683 PRESSURE: 3491000 15.523 160.776 -83.0231 160.774 16.2439 28.1491 -83.0241 28.1501 110.417 GPRESSURE: 3491000 37.3657 227.771 -60.2665 125.363 9.86161 67.5312 -56.0278 34.9842 185.897 PRESSAVG: 3491000 -44.497 -2.39859 -14.6538 -2.39853 -7.60149 60.2757 -14.6539 60.2758 24.8943 GPRESSAVG: 3491000 -43.7932 -2.69795 -12.7099 -2.88485 -8.22304 63.11 -15.336 57.1917 24.5242 TIMING: 3491000 CPU: 10135.5, 0.00293037/step Wall: 10135.5, 0.00293037/step, 1.22831 hours remaining, 207.105469 MB of memory in use. ENERGY: 3491000 768.3178 2117.7461 1974.8912 128.3940 -205972.4301 17791.8226 0.0000 0.0000 34322.8083 -148868.4501 299.7496 -183191.2583 -148776.2926 300.7238 47.3946 77.7081 557204.6057 -9.0681 -9.1640 PRESSURE: 3491200 86.1497 41.1343 78.3967 41.1346 -284.095 -36.7811 78.3953 -36.7807 0.807156 GPRESSURE: 3491200 155.712 90.7561 70.6734 29.6733 -247.449 -95.6374 96.8585 1.78908 -9.82728 PRESSAVG: 3491200 -59.8145 64.335 -21.7843 64.3351 -11.2458 27.0726 -21.7843 27.0726 73.8434 GPRESSAVG: 3491200 -60.1554 62.9519 -20.7769 65.9816 -10.3648 26.0005 -20.4365 30.5762 73.029 TIMING: 3491200 CPU: 10136.1, 0.00296063/step Wall: 10136.1, 0.00296064/step, 1.24084 hours remaining, 207.105469 MB of memory in use. ENERGY: 3491200 733.2896 2152.3318 1978.2247 111.0732 -205580.2326 17617.4545 0.0000 0.0000 34127.3801 -148860.4786 298.0429 -182987.8587 -148765.8773 299.4683 -65.7129 -33.8548 558316.5285 0.9277 0.8363 PRESSURE: 3491400 -75.354 -4.31559 -2.63068 -4.31624 -35.9671 17.9416 -2.63041 17.9408 -300.459 GPRESSURE: 3491400 -63.9477 87.8922 71.377 -25.2566 -47.021 -48.2154 -104.56 135.85 -209.905 PRESSAVG: 3491400 20.5448 46.8295 -36.215 46.8295 -13.0333 29.5424 -36.2149 29.5425 -19.4226 GPRESSAVG: 3491400 20.8526 51.1988 -38.6304 45.6835 -13.7314 30.6297 -35.1554 27.9525 -19.3338 TIMING: 3491400 CPU: 10136.7, 0.00292804/step Wall: 10136.7, 0.00292804/step, 1.22701 hours remaining, 207.105469 MB of memory in use. ENERGY: 3491400 750.7375 2145.8379 1951.5729 112.7436 -205451.8546 17517.1715 0.0000 0.0000 34187.5955 -148786.1956 298.5688 -182973.7912 -148692.6993 300.0119 -137.2600 -106.9580 558579.2080 -3.9703 -4.0709 PRESSURE: 3491600 -27.129 69.5461 77.4384 69.5467 -86.66 75.0291 77.4386 75.0285 148.125 GPRESSURE: 3491600 -41.5312 106.242 57.26 -9.41771 -11.1117 100.7 160.178 116.541 164.255 PRESSAVG: 3491600 9.76221 9.22508 -27.8547 9.22509 -43.7533 -9.8925 -27.8548 -9.89246 32.644 GPRESSAVG: 3491600 9.76485 6.19551 -27.1688 9.22311 -43.4699 -10.9428 -28.1311 -9.88036 32.8243 TIMING: 3491600 CPU: 10137.3, 0.00294616/step Wall: 10137.3, 0.00294616/step, 1.23444 hours remaining, 207.105469 MB of memory in use. ENERGY: 3491600 716.8981 2035.1065 1945.4848 116.7066 -205758.2385 17759.7925 0.0000 0.0000 34277.2896 -148906.9602 299.3521 -183184.2499 -148803.4188 299.9036 11.4453 37.2039 558840.3096 -0.4490 -0.2936 PRESSURE: 3491800 46.416 50.9243 -32.2759 50.9241 187.049 134.256 -32.2769 134.256 103.66 GPRESSURE: 3491800 74.7708 112.67 -97.0495 17.013 175.47 121.203 -19.9084 83.885 188.397 PRESSAVG: 3491800 -63.0297 15.8562 -7.85989 15.8562 -9.31935 -27.7688 -7.85999 -27.7687 90.8787 GPRESSAVG: 3491800 -62.7982 16.3452 -6.72178 17.1412 -9.27888 -28.6051 -8.41456 -27.6188 91.1513 TIMING: 3491800 CPU: 10137.8, 0.00291898/step Wall: 10137.8, 0.00291898/step, 1.22289 hours remaining, 207.105469 MB of memory in use. ENERGY: 3491800 717.7237 2028.9208 1977.7269 107.2583 -206043.4724 17935.7677 0.0000 0.0000 34305.3427 -148970.7323 299.5971 -183276.0750 -148868.2646 299.1111 112.3750 146.2125 557745.1060 6.1766 6.3581 PRESSURE: 3492000 -147.575 1.88027 5.71614 1.87919 -160.928 -2.69477 5.71699 -2.6961 -97.4547 GPRESSURE: 3492000 -114.853 26.6852 14.5194 -65.8699 -113.279 8.64609 -42.0687 -128.914 -80.8404 PRESSAVG: 3492000 18.1525 77.2528 4.09804 77.2528 9.93371 -24.8199 4.09807 -24.8198 -39.5947 GPRESSAVG: 3492000 17.6332 75.6707 4.83935 76.069 10.0806 -23.0173 5.33582 -25.4648 -39.4487 TIMING: 3492000 CPU: 10138.4, 0.00293258/step Wall: 10138.4, 0.00293258/step, 1.22842 hours remaining, 207.105469 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: 3492000 773.7952 2045.0750 1958.1079 110.6496 -205880.0669 17674.8574 0.0000 0.0000 34360.5237 -148957.0581 300.0790 -183317.5818 -148862.1754 299.8037 -135.3191 -102.9908 557748.7672 -3.8362 -3.9117 PRESSURE: 3492200 136.937 51.3734 -194.508 51.374 -201.813 -21.3537 -194.509 -21.3538 124.636 GPRESSURE: 3492200 157.518 0.933833 -159.111 19.2414 -159.996 29.4076 -253.793 -2.04796 152.138 PRESSAVG: 3492200 50.2937 -42.4703 -10.1879 -42.4702 -68.4683 -9.79987 -10.1878 -9.79986 13.2063 GPRESSAVG: 3492200 50.1691 -43.4351 -12.9086 -38.5937 -68.0534 -9.51708 -10.3948 -9.52574 13.1144 TIMING: 3492200 CPU: 10139, 0.00293379/step Wall: 10139, 0.00293379/step, 1.22877 hours remaining, 207.105469 MB of memory in use. ENERGY: 3492200 749.3597 2060.1884 1966.9067 100.7198 -205965.9153 17802.8193 0.0000 0.0000 34269.8961 -149016.0252 299.2875 -183285.9213 -148929.1635 299.4983 19.9200 49.8866 557728.4927 -1.6561 -1.5900 LDB: ============= START OF LOAD BALANCING ============== 10142.5 LDB: ============== END OF LOAD BALANCING =============== 10142.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10142.5 LDB: ============= START OF LOAD BALANCING ============== 10142.8 LDB: Largest compute 4820 load 0.031683 is 26.9% of average load 0.117876 LDB: Average compute 0.001717 is 1.5% of average load 0.117876 LDB: TIME 10142.8 LOAD: AVG 0.117876 MAX 0.180945 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 10142.8 LOAD: AVG 0.117876 MAX 0.180945 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 10142.8 LOAD: AVG 0.117876 MAX 0.180945 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: ============== END OF LOAD BALANCING =============== 10142.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10142.8 PRESSURE: 3492400 280.808 110.713 -23.1393 110.713 -29.7597 -50.6722 -23.1387 -50.6702 -268.707 GPRESSURE: 3492400 216.351 160.269 32.4147 25.8205 75.0647 -77.1278 -49.6787 -99.9934 -210.774 PRESSAVG: 3492400 64.7811 37.1439 -8.44978 37.1437 5.46617 8.66757 -8.44973 8.66759 -46.2074 GPRESSAVG: 3492400 66.075 36.9513 -7.96047 34.2228 3.54359 7.44743 -7.96026 8.63156 -45.2773 TIMING: 3492400 CPU: 10139.6, 0.00299175/step Wall: 10139.6, 0.00299175/step, 1.25288 hours remaining, 206.242188 MB of memory in use. ENERGY: 3492400 746.7064 2101.8472 1968.2461 112.0753 -206288.7383 17852.1290 0.0000 0.0000 34388.8036 -149118.9306 300.3260 -183507.7343 -149019.2128 299.1247 -5.8863 26.8805 556655.9058 8.0133 8.1138 PRESSURE: 3492600 237.068 81.3853 126.418 81.3856 -106.113 85.9557 126.417 85.956 32.0938 GPRESSURE: 3492600 247.133 90.4687 182.431 48.613 -96.4129 37.7211 29.8477 7.53774 91.6907 PRESSAVG: 3492600 1.47323 19.8904 36.3448 19.8904 -15.8014 -18.3378 36.3447 -18.3378 -8.41016 GPRESSAVG: 3492600 0.462306 21.1984 35.5157 19.6355 -13.9432 -17.7582 36.5713 -19.3349 -9.03748 TIMING: 3492600 CPU: 10140.2, 0.00293617/step Wall: 10140.2, 0.00293617/step, 1.22944 hours remaining, 206.242188 MB of memory in use. ENERGY: 3492600 761.4345 2045.9021 1950.6348 106.3447 -206084.4742 17808.7553 0.0000 0.0000 34219.3375 -149192.0653 298.8460 -183411.4028 -149093.8726 299.0547 54.3497 80.8037 557837.3436 -7.5794 -7.5061 PRESSURE: 3492800 -261.025 198.694 0.805622 198.696 95.5073 190.077 0.804658 190.077 -398.759 GPRESSURE: 3492800 -261.652 169.199 -4.48017 224.668 102.882 175.943 -49.9874 174.841 -307.966 PRESSAVG: 3492800 9.10872 -8.9794 4.16484 -8.9794 18.7119 -34.4633 4.16484 -34.4632 -9.88754 GPRESSAVG: 3492800 9.80559 -8.23247 5.56688 -10.1835 17.334 -35.7529 4.09688 -32.8831 -8.65236 TIMING: 3492800 CPU: 10140.8, 0.00297146/step Wall: 10140.8, 0.00297146/step, 1.24405 hours remaining, 206.242188 MB of memory in use. ENERGY: 3492800 744.7364 2051.9686 1995.1914 114.8341 -205908.1269 17595.9332 0.0000 0.0000 34169.4143 -149236.0490 298.4100 -183405.4632 -149147.4245 298.8608 -188.0921 -155.5787 558974.3858 5.9777 6.1624 PRESSURE: 3493000 -115.137 -66.9752 57.4856 -66.9758 -209.646 78.8774 57.4855 78.8777 -356.275 GPRESSURE: 3493000 -123.529 -50.0449 90.2822 -122.986 -149.086 47.9979 26.7611 96.3276 -301.569 PRESSAVG: 3493000 50.1857 -20.427 -11.6983 -20.427 3.12298 54.2721 -11.6983 54.2721 -63.5992 GPRESSAVG: 3493000 49.5592 -19.9162 -11.0052 -19.4195 5.58914 53.6588 -14.3001 55.9418 -64.9308 TIMING: 3493000 CPU: 10141.4, 0.00298944/step Wall: 10141.4, 0.00298944/step, 1.25141 hours remaining, 206.242188 MB of memory in use. ENERGY: 3493000 725.8091 2144.8157 1932.2215 122.4642 -206120.4905 17648.7051 0.0000 0.0000 34186.7810 -149359.6939 298.5617 -183546.4749 -149271.8270 299.1636 -227.0194 -191.3948 558703.1875 -3.4302 -3.2608 PRESSURE: 3493200 -39.8654 65.2973 -120.578 65.2972 112.681 -11.163 -120.579 -11.1642 154.175 GPRESSURE: 3493200 -20.8967 43.599 -122.973 140.949 121.571 -52.2403 -167.874 -4.20405 213.538 PRESSAVG: 3493200 -28.3833 22.3747 -21.1923 22.3747 -5.53327 60.0316 -21.1923 60.0315 17.6174 GPRESSAVG: 3493200 -27.1096 19.6345 -20.4485 25.5012 -6.89794 59.8075 -20.2443 57.7889 17.7701 TIMING: 3493200 CPU: 10142, 0.00295079/step Wall: 10142, 0.00295079/step, 1.23507 hours remaining, 206.242188 MB of memory in use. ENERGY: 3493200 781.1162 2082.2510 1924.0626 108.2699 -206691.0450 18071.1975 0.0000 0.0000 34260.4792 -149463.6685 299.2053 -183724.1477 -149368.6994 298.6860 75.6635 104.7374 558283.7770 -5.4330 -5.4125 PRESSURE: 3493400 8.55066 53.3715 17.5492 53.3711 -75.4881 12.3811 17.549 12.3824 212.449 GPRESSURE: 3493400 -18.9007 65.2722 -40.167 9.9205 -12.7112 -19.9685 30.4567 -51.6805 252.092 PRESSAVG: 3493400 43.5466 25.8613 12.3968 25.8612 -51.2075 34.0096 12.3968 34.0095 23.0799 GPRESSAVG: 3493400 43.5809 28.296 9.6764 23.6732 -50.4274 34.376 13.512 33.5308 22.155 TIMING: 3493400 CPU: 10142.6, 0.00294109/step Wall: 10142.6, 0.00294109/step, 1.23085 hours remaining, 206.242188 MB of memory in use. ENERGY: 3493400 732.0098 2090.0826 1957.6861 98.9023 -206466.1547 17965.3640 0.0000 0.0000 34179.8984 -149442.2113 298.5016 -183622.1097 -149352.4787 298.6923 48.5037 73.4935 556792.0182 5.1397 5.1029 PRESSURE: 3493600 21.9683 91.0263 -100.983 91.0264 -434.991 -56.6872 -100.983 -56.6856 -153.76 GPRESSURE: 3493600 33.9474 63.587 -3.70183 45.1386 -380.763 8.53814 -156.672 -85.9494 -119.903 PRESSAVG: 3493600 63.8974 -17.4382 7.67413 -17.4383 -48.6071 -29.652 7.67412 -29.6519 -32.4368 GPRESSAVG: 3493600 62.3486 -20.0342 7.44267 -17.7173 -47.9496 -29.511 6.2838 -29.6401 -31.7101 TIMING: 3493600 CPU: 10143.2, 0.00295142/step Wall: 10143.2, 0.00295142/step, 1.23501 hours remaining, 206.242188 MB of memory in use. ENERGY: 3493600 737.2247 2117.9579 1961.2341 109.7193 -206122.2025 17542.2572 0.0000 0.0000 34096.3430 -149557.4663 297.7718 -183653.8093 -149470.0418 298.0243 -188.9273 -155.5727 558394.5927 -5.7155 -5.7704 PRESSURE: 3493800 -136.398 76.422 -2.19603 76.423 101.969 -66.2144 -2.19622 -66.2155 17.356 GPRESSURE: 3493800 -103.123 74.0691 34.5263 174.626 117.849 -150.956 18.5545 -47.593 34.9205 PRESSAVG: 3493800 8.06082 -20.6047 -10.7708 -20.6047 -32.711 -37.1068 -10.7708 -37.1067 37.4357 GPRESSAVG: 3493800 9.9041 -19.8213 -10.5544 -19.4472 -33.9498 -37.0367 -9.4342 -36.7437 37.8571 TIMING: 3493800 CPU: 10143.7, 0.00293768/step Wall: 10143.7, 0.00293768/step, 1.22909 hours remaining, 206.242188 MB of memory in use. ENERGY: 3493800 733.4459 2088.3362 1958.5050 119.6081 -206269.2160 17696.3472 0.0000 0.0000 34106.7749 -149566.1986 297.8629 -183672.9735 -149464.3606 298.4210 -5.6913 16.5488 557822.6476 4.2619 4.6038 PRESSURE: 3494000 -89.5583 -38.0018 -76.381 -38.0014 14.5325 -199.992 -76.3799 -199.993 93.5126 GPRESSURE: 3494000 -28.5531 14.1817 -91.2687 -102.03 2.96853 -175.627 -14.7167 -220.245 147.727 PRESSAVG: 3494000 7.38147 12.9802 39.7403 12.9803 -11.4014 -37.783 39.7402 -37.7831 44.8977 GPRESSAVG: 3494000 6.96476 13.4363 41.5143 13.1146 -10.9563 -37.7363 39.8771 -38.7673 44.5846 TIMING: 3494000 CPU: 10144.3, 0.00293586/step Wall: 10144.3, 0.00293586/step, 1.22817 hours remaining, 206.242188 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: 3494000 758.5573 2138.5799 1968.1672 131.4867 -206457.1699 17743.7556 0.0000 0.0000 34111.9446 -149604.6787 297.9081 -183716.6233 -149500.4701 298.3190 6.1623 40.7141 557028.3989 13.6259 13.5310 PRESSURE: 3494200 48.6728 42.4521 -11.9845 42.4521 61.1728 -153.539 -11.9854 -153.538 62.0614 GPRESSURE: 3494200 117.063 -22.7404 21.4875 33.7848 89.2388 -161.716 -69.1773 -139.952 63.7398 PRESSAVG: 3494200 27.6938 0.04624 11.5682 0.046311 -27.003 -2.33772 11.5683 -2.3378 8.00143 GPRESSAVG: 3494200 28.0181 0.977922 11.3153 -1.1218 -27.5347 -3.66517 9.15958 -0.724209 7.83436 TIMING: 3494200 CPU: 10144.9, 0.00294685/step Wall: 10144.9, 0.00294685/step, 1.2326 hours remaining, 206.242188 MB of memory in use. ENERGY: 3494200 722.6297 2126.5752 1948.4606 114.5647 -206397.1206 17947.1272 0.0000 0.0000 33981.7818 -149555.9813 296.7714 -183537.7631 -149455.3644 297.9601 57.3023 90.0138 556822.5566 2.8974 2.7726 PRESSURE: 3494400 29.9005 95.2451 68.4628 95.2448 -235.239 -179.026 68.4633 -179.026 111.347 GPRESSURE: 3494400 37.3485 76.9161 46.9047 119.666 -165.696 -169.914 58.8801 -173.608 125.572 PRESSAVG: 3494400 -44.4054 2.39901 -64.8165 2.39897 -2.27897 -50.368 -64.8165 -50.3681 37.466 GPRESSAVG: 3494400 -43.811 1.27285 -65.7096 2.38188 -3.04277 -49.9632 -62.9752 -50.1435 37.8599 TIMING: 3494400 CPU: 10145.5, 0.00292392/step Wall: 10145.5, 0.00292392/step, 1.22285 hours remaining, 206.425781 MB of memory in use. ENERGY: 3494400 765.7271 2064.4532 1928.6153 106.9310 -206581.8291 17888.0988 0.0000 0.0000 34331.3277 -149496.6759 299.8240 -183828.0036 -149401.4188 298.1350 -31.3303 -0.9251 556673.7564 -3.0728 -2.9979 PRESSURE: 3494600 25.3995 -59.8985 -80.9647 -59.8975 37.7592 33.2167 -80.9655 33.2153 103.732 GPRESSURE: 3494600 82.5349 -78.2815 16.4562 -80.6176 63.3811 -18.9346 -36.6013 41.858 114.985 PRESSAVG: 3494600 39.7255 52.7777 -50.3137 52.7777 -5.56729 -49.3985 -50.3137 -49.3984 -13.6206 GPRESSAVG: 3494600 40.6488 53.0544 -49.6905 54.6985 -4.94426 -50.1356 -50.4216 -50.4203 -15.4269 TIMING: 3494600 CPU: 10146.1, 0.00290365/step Wall: 10146.1, 0.00290365/step, 1.21421 hours remaining, 206.425781 MB of memory in use. ENERGY: 3494600 745.8809 2077.6097 1948.8114 111.0471 -206635.9824 18024.1050 0.0000 0.0000 34301.7997 -149426.7288 299.5661 -183728.5285 -149330.4156 298.2658 55.6303 86.9669 555447.2926 6.8459 6.7592 PRESSURE: 3494800 -191.605 -256.611 -109.226 -256.612 -412.407 105.361 -109.225 105.361 -208.832 GPRESSURE: 3494800 -179.356 -261.86 -115.123 -244.998 -327.518 45.4665 -118.467 108.311 -198.194 PRESSAVG: 3494800 62.1466 -30.6418 -1.77221 -30.6417 -48.8954 16.15 -1.77219 16.1498 -8.76216 GPRESSAVG: 3494800 60.4428 -30.3954 -2.20846 -32.118 -48.3677 18.3987 -3.4306 15.1466 -7.70037 TIMING: 3494800 CPU: 10146.7, 0.00294203/step Wall: 10146.7, 0.00294203/step, 1.2301 hours remaining, 206.425781 MB of memory in use. ENERGY: 3494800 751.5472 2087.0393 1959.6897 110.0751 -205721.0738 17367.5079 0.0000 0.0000 34018.9054 -149426.3091 297.0956 -183445.2145 -149338.3180 298.4551 -270.9480 -235.0227 556562.8439 1.4963 1.4583 PRESSURE: 3495000 316.391 114.158 -77.7599 114.157 312.763 -177.453 -77.76 -177.453 92.4 GPRESSURE: 3495000 357.772 117.983 -149.431 89.0895 320.397 -80.723 -47.6028 -186.547 142.046 PRESSAVG: 3495000 -0.734633 21.7459 -43.7492 21.7459 -54.2356 21.0246 -43.7492 21.0246 57.1226 GPRESSAVG: 3495000 -0.736425 22.0769 -44.3587 21.5951 -53.7959 22.0542 -43.1922 21.5167 56.3975 TIMING: 3495000 CPU: 10147.3, 0.00293978/step Wall: 10147.3, 0.00293978/step, 1.22899 hours remaining, 206.425781 MB of memory in use. ENERGY: 3495000 719.6112 2120.4438 1958.4855 114.5591 -206753.4298 18066.3521 0.0000 0.0000 34192.7364 -149581.2417 298.6137 -183773.9781 -149487.1938 298.0871 240.5180 273.4049 555413.1406 0.7175 0.6217 PRESSURE: 3495200 -18.519 -2.21863 90.195 -2.2185 173.192 -9.82856 90.1937 -9.83006 369.104 GPRESSURE: 3495200 -8.10767 -52.8001 118.414 -52.4776 211.668 -1.00487 38.5248 12.5726 411.217 PRESSAVG: 3495200 -4.10924 16.9216 -60.3458 16.9216 30.6413 -34.5373 -60.3458 -34.5372 32.3853 GPRESSAVG: 3495200 -3.89671 17.8121 -58.863 15.5833 30.4184 -36.6841 -60.9502 -33.4727 33.763 TIMING: 3495200 CPU: 10147.9, 0.00293079/step Wall: 10147.9, 0.00293079/step, 1.22507 hours remaining, 206.425781 MB of memory in use. ENERGY: 3495200 713.7699 2086.2828 1977.2708 109.8630 -206819.9883 18070.0315 0.0000 0.0000 34269.0354 -149593.7350 299.2800 -183862.7703 -149498.7677 298.2092 174.5923 204.9260 555449.4246 19.6391 20.0949 PRESSURE: 3495400 9.28243 -115.659 -98.1007 -115.66 263.646 -65.1444 -98.1005 -65.1448 316.753 GPRESSURE: 3495400 38.7027 -90.6735 -104.782 -90.5703 272.764 -59.5332 -58.0877 -55.8471 370.033 PRESSAVG: 3495400 -107.314 13.9807 -10.82 13.9807 37.8581 -52.661 -10.82 -52.6611 71.6749 GPRESSAVG: 3495400 -106.27 15.1389 -12.3372 13.2443 37.7854 -53.1585 -8.85655 -55.0999 70.2131 TIMING: 3495400 CPU: 10148.4, 0.00293253/step Wall: 10148.4, 0.00293253/step, 1.22563 hours remaining, 206.425781 MB of memory in use. ENERGY: 3495400 737.0819 2057.5614 1972.2971 109.8805 -206652.1720 18138.3361 0.0000 0.0000 34044.0518 -149592.9631 297.3152 -183637.0149 -149504.8314 298.4803 196.5604 227.1667 556218.1503 0.7398 0.5763 PRESSURE: 3495600 -24.1792 157.931 -122.75 157.931 -268.524 -33.4411 -122.749 -33.4413 -187.654 GPRESSURE: 3495600 11.1171 102.663 -100.201 182.133 -222.766 -51.9446 -194.107 38.9857 -180.709 PRESSAVG: 3495600 -16.4532 -13.3214 -26.2766 -13.3213 45.2963 35.0363 -26.2767 35.0363 -6.51921 GPRESSAVG: 3495600 -16.4098 -14.528 -26.6833 -12.3108 45.3577 35.2161 -27.2237 37.8075 -6.87447 TIMING: 3495600 CPU: 10149, 0.00296195/step Wall: 10149, 0.00296195/step, 1.23776 hours remaining, 206.425781 MB of memory in use. ENERGY: 3495600 759.6398 2009.0014 1972.0102 113.4531 -206454.9609 17730.4849 0.0000 0.0000 34364.6497 -149505.7218 300.1150 -183870.3715 -149400.4685 298.4012 -160.1190 -130.7857 558056.6208 7.4413 7.3578 PRESSURE: 3495800 -89.8927 134.864 62.7171 134.865 56.6681 5.56128 62.7173 5.55946 -105.381 GPRESSURE: 3495800 -103.747 117.018 44.5357 145.549 83.7155 76.4603 51.4714 40.1579 -29.888 PRESSAVG: 3495800 -6.20348 9.30548 5.32514 9.30545 26.2428 -25.6869 5.32508 -25.687 -31.5268 GPRESSAVG: 3495800 -6.82467 10.8705 4.91804 9.41939 26.3454 -24.4514 6.33076 -28.0874 -30.9874 TIMING: 3495800 CPU: 10149.6, 0.00295393/step Wall: 10149.6, 0.00295393/step, 1.23425 hours remaining, 206.425781 MB of memory in use. ENERGY: 3495800 721.4036 2106.9931 1973.3053 118.7954 -206160.6035 17691.0695 0.0000 0.0000 33930.4648 -149618.5718 296.3232 -183549.0366 -149527.7701 297.3464 -46.2018 -16.6397 556136.1267 -3.8292 -3.8222 PRESSURE: 3496000 38.1945 126.296 23.9979 126.296 8.28833 -45.8543 23.9983 -45.8533 -335.162 GPRESSURE: 3496000 24.1793 174.774 14.1631 172.816 28.8022 -87.5584 86.5778 2.74164 -239.408 PRESSAVG: 3496000 33.1481 30.1117 19.8127 30.1117 8.08042 19.7302 19.8127 19.7303 -46.8948 GPRESSAVG: 3496000 33.3506 30.5334 20.654 31.1784 7.51446 18.3114 18.856 22.4584 -46.7244 TIMING: 3496000 CPU: 10150.2, 0.00292176/step Wall: 10150.2, 0.00292176/step, 1.22065 hours remaining, 206.425781 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: 3496000 749.4670 2119.6667 1956.4724 118.1613 -206496.8890 17673.4922 0.0000 0.0000 34347.7385 -149531.8910 299.9673 -183879.6294 -149432.9575 298.1556 -96.2266 -62.1421 556076.2801 -1.8888 -1.9531 PRESSURE: 3496200 72.3186 76.6407 193.26 76.642 -63.5627 -32.1198 193.258 -32.1188 70.7151 GPRESSURE: 3496200 88.347 79.3574 219.534 54.1666 20.3467 -121.215 231.387 -12.4986 64.1629 PRESSAVG: 3496200 1.09649 7.55143 41.0157 7.55137 -37.9665 -13.9987 41.0158 -13.9987 86.0076 GPRESSAVG: 3496200 1.45578 6.60105 42.6686 6.15264 -37.6236 -13.7194 40.9845 -15.0455 85.5906 TIMING: 3496200 CPU: 10150.8, 0.00292769/step Wall: 10150.8, 0.00292769/step, 1.22296 hours remaining, 206.425781 MB of memory in use. ENERGY: 3496200 733.0855 2050.7657 1978.1146 115.9602 -206441.2278 17946.2091 0.0000 0.0000 34142.6093 -149474.4834 298.1759 -183617.0927 -149387.1451 298.3500 26.4904 57.6188 556197.6806 16.3792 16.4743 LDB: ============= START OF LOAD BALANCING ============== 10154.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10154.3 LDB: =============== DONE WITH MIGRATION ================ 10154.3 LDB: ============= START OF LOAD BALANCING ============== 10154.6 LDB: Largest compute 4820 load 0.032313 is 27.4% of average load 0.117892 LDB: Average compute 0.001728 is 1.5% of average load 0.117892 LDB: TIME 10154.6 LOAD: AVG 0.117892 MAX 0.178029 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.832 MB LDB: TIME 10154.6 LOAD: AVG 0.117892 MAX 0.178029 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: TIME 10154.6 LOAD: AVG 0.117892 MAX 0.178029 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.902 MB LDB: ============== END OF LOAD BALANCING =============== 10154.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10154.6 PRESSURE: 3496400 73.2083 -22.4753 44.6835 -22.4744 21.1601 -51.2367 44.6818 -51.2383 205.55 GPRESSURE: 3496400 104.62 -63.8823 50.7245 -19.6436 29.4982 -30.0668 -5.56487 -25.2706 252.012 PRESSAVG: 3496400 -12.8042 -34.0678 2.33298 -34.0677 -69.4199 -7.76468 2.33299 -7.76477 75.3681 GPRESSAVG: 3496400 -12.7815 -35.4897 4.02008 -32.7259 -68.9587 -6.68194 1.13538 -6.11561 74.9033 TIMING: 3496400 CPU: 10151.4, 0.00300306/step Wall: 10151.4, 0.00300306/step, 1.25428 hours remaining, 207.507812 MB of memory in use. ENERGY: 3496400 741.8968 2115.0830 1969.3080 111.7503 -206473.1967 17975.3482 0.0000 0.0000 34128.4987 -149431.3117 298.0527 -183559.8105 -149334.3001 298.7163 99.9729 128.7098 558584.7919 -2.2853 -2.2790 PRESSURE: 3496600 -332.747 -13.8124 31.9324 -13.8134 -158.704 -194.748 31.9326 -194.749 -86.0677 GPRESSURE: 3496600 -288.568 54.8778 80.5578 -12.2658 -89.698 -254.606 0.180696 -241.06 -96.5364 PRESSAVG: 3496600 -72.5879 -77.3686 3.68097 -77.3685 -33.9232 -21.3153 3.68095 -21.3153 64.3024 GPRESSAVG: 3496600 -72.2963 -76.0704 2.82744 -78.5875 -34.6899 -19.9687 4.64702 -23.1108 64.9174 TIMING: 3496600 CPU: 10152, 0.00294415/step Wall: 10152, 0.00294415/step, 1.22951 hours remaining, 207.835938 MB of memory in use. ENERGY: 3496600 701.3283 2051.9035 1945.5478 111.2788 -205987.1660 17434.0269 0.0000 0.0000 34197.0518 -149546.0288 298.6514 -183743.0806 -149448.0395 298.5265 -192.5060 -158.2674 556758.8621 -14.0696 -14.0229 PRESSURE: 3496800 103.444 16.4123 -2.40092 16.4127 251.388 62.8741 -2.39983 62.873 220.377 GPRESSURE: 3496800 176.505 -41.4886 -15.4754 132.64 246.794 189.295 -21.4647 -56.7367 257.01 PRESSAVG: 3496800 -24.4093 4.31449 3.60703 4.31444 -28.0322 -17.937 3.60712 -17.9369 57.2598 GPRESSAVG: 3496800 -24.347 2.94186 3.60451 4.23295 -26.8594 -18.2746 4.21116 -16.9127 56.0377 TIMING: 3496800 CPU: 10152.6, 0.0029306/step Wall: 10152.6, 0.0029306/step, 1.22369 hours remaining, 207.835938 MB of memory in use. ENERGY: 3496800 676.3916 2097.2994 1952.9124 110.7547 -206056.4406 17824.3021 0.0000 0.0000 34009.9243 -149384.8561 297.0171 -183394.7803 -149291.8052 298.3906 191.7361 226.7696 554858.1045 1.6061 1.6104 PRESSURE: 3497000 64.7518 168.633 -62.7046 168.633 -15.971 82.8505 -62.7038 82.8511 -87.3442 GPRESSURE: 3497000 80.9209 149.66 -95.0492 199.422 -15.695 112.825 -50.096 46.0132 -9.31587 PRESSAVG: 3497000 -24.561 -19.5462 2.65475 -19.5463 43.5111 24.4949 2.6547 24.4949 -14.1629 GPRESSAVG: 3497000 -25.2594 -19.756 0.441331 -18.0064 42.2116 24.7207 3.87354 22.9837 -12.0012 TIMING: 3497000 CPU: 10153.2, 0.00294492/step Wall: 10153.2, 0.00294492/step, 1.2295 hours remaining, 207.835938 MB of memory in use. ENERGY: 3497000 739.3503 2092.4703 1967.8008 112.9561 -206455.2518 17959.4259 0.0000 0.0000 34150.9096 -149432.3388 298.2484 -183583.2484 -149330.1491 298.4603 -12.8545 18.6367 557627.7239 1.5957 1.6503 PRESSURE: 3497200 -163.819 -8.25185 113.773 -8.25298 -1.94519 111.557 113.772 111.557 -206.181 GPRESSURE: 3497200 -129.703 20.1528 127.959 -53.7413 33.3828 68.6071 145.381 105.318 -194.163 PRESSAVG: 3497200 15.3969 40.008 47.7243 40.0079 29.1949 -5.68228 47.7243 -5.68224 -30.542 GPRESSAVG: 3497200 16.1234 38.2675 48.6822 39.4416 29.8449 -8.26046 47.6551 -4.625 -31.374 TIMING: 3497200 CPU: 10153.7, 0.00294958/step Wall: 10153.7, 0.00294958/step, 1.23129 hours remaining, 207.835938 MB of memory in use. ENERGY: 3497200 770.9766 2133.6682 1967.4283 113.6260 -206496.0641 17711.5004 0.0000 0.0000 34277.1618 -149521.7028 299.3510 -183798.8646 -149424.9480 298.7661 -123.9818 -96.8277 557336.1022 4.6833 4.8648 PRESSURE: 3497400 -172.83 -108.945 -22.3522 -108.946 -44.8802 -49.1681 -22.3528 -49.1682 -15.097 GPRESSURE: 3497400 -170.481 -112.324 -19.9924 -96.5193 46.6578 -61.0266 7.54589 -117.403 -3.38652 PRESSAVG: 3497400 -18.1173 -0.631191 28.9437 -0.631248 58.227 -9.08105 28.9436 -9.08106 -42.8554 GPRESSAVG: 3497400 -18.5347 1.76953 30.2965 -1.16076 59.2119 -7.12322 27.17 -10.1168 -43.4023 TIMING: 3497400 CPU: 10154.3, 0.00297055/step Wall: 10154.3, 0.00297055/step, 1.23988 hours remaining, 207.835938 MB of memory in use. ENERGY: 3497400 718.0612 2130.8243 1956.0491 117.5395 -206314.4629 17645.6247 0.0000 0.0000 34138.5707 -149607.7935 298.1406 -183746.3641 -149508.3252 298.7480 -77.6025 -42.4032 556100.3149 -0.9153 -0.9084 PRESSURE: 3497600 125.321 6.06447 -54.5311 6.06581 -112.47 74.8702 -54.5323 74.8701 -278.838 GPRESSURE: 3497600 93.1751 28.2829 -126.287 27.346 -60.4465 132.214 -40.2172 74.8667 -210.053 PRESSAVG: 3497600 7.58852 9.1136 -28.7179 9.11369 -81.018 -18.6938 -28.7178 -18.6939 87.3989 GPRESSAVG: 3497600 8.27423 9.43683 -28.5034 9.09922 -81.4948 -19.5165 -27.8648 -18.0119 87.1278 TIMING: 3497600 CPU: 10154.9, 0.00293569/step Wall: 10154.9, 0.00293569/step, 1.22516 hours remaining, 207.835938 MB of memory in use. ENERGY: 3497600 722.9495 2157.4224 1973.5659 115.5888 -206263.9278 17588.7810 0.0000 0.0000 34160.8530 -149544.7673 298.3352 -183705.6203 -149448.9537 298.4801 -88.6621 -59.1082 556674.9376 4.6565 4.6358 PRESSURE: 3497800 -4.71447 69.5493 28.4293 69.5507 24.5738 23.7963 28.4279 23.7964 96.3393 GPRESSURE: 3497800 81.6101 97.5321 56.7327 -24.3225 3.52933 -54.2896 22.5775 -8.21828 126.622 PRESSAVG: 3497800 10.3247 25.9525 -51.3873 25.9524 -22.0316 8.17807 -51.3874 8.17813 24.146 GPRESSAVG: 3497800 10.0899 24.2197 -52.758 25.3415 -22.5484 9.32841 -52.0135 7.43054 24.6739 TIMING: 3497800 CPU: 10155.5, 0.00296801/step Wall: 10155.5, 0.00296801/step, 1.23848 hours remaining, 207.835938 MB of memory in use. ENERGY: 3497800 744.8825 2071.9553 1969.8271 116.5603 -206081.5157 17579.1009 0.0000 0.0000 34284.1400 -149315.0497 299.4119 -183599.1897 -149224.3365 298.3210 38.7329 70.5873 555819.9273 4.1464 4.0718 PRESSURE: 3498000 -148.313 133.723 7.62762 133.722 -98.0181 83.5614 7.62744 83.5626 -199.107 GPRESSURE: 3498000 -155.164 157.581 -87.6156 143.598 -43.1013 134.931 64.6986 70.2688 -146.852 PRESSAVG: 3498000 -33.4258 38.7518 23.3568 38.7518 -36.9492 -30.2133 23.3568 -30.2133 16.3543 GPRESSAVG: 3498000 -34.0702 38.8543 23.2044 38.993 -35.2823 -30.9318 24.2675 -29.0629 15.9897 TIMING: 3498000 CPU: 10156.1, 0.0029684/step Wall: 10156.1, 0.0029684/step, 1.23848 hours remaining, 207.894531 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: 3498000 785.1373 2067.8238 1965.9180 109.0696 -206404.8444 17864.5370 0.0000 0.0000 34168.7277 -149443.6309 298.4040 -183612.3587 -149348.0400 298.5233 -148.4794 -115.0392 558367.1347 -18.0069 -17.7876 PRESSURE: 3498200 -210.997 37.1433 -82.1066 37.1424 162.009 104.359 -82.1066 104.359 -5.86886 GPRESSURE: 3498200 -148.923 89.6025 -198.521 3.25117 122.912 88.0361 -77.0594 32.0166 67.1605 PRESSAVG: 3498200 -44.4385 -9.20359 -71.327 -9.20361 70.6316 22.7019 -71.327 22.7017 34.8045 GPRESSAVG: 3498200 -42.938 -8.65477 -71.8439 -9.18689 68.0625 21.6975 -71.9903 22.8708 35.7608 TIMING: 3498200 CPU: 10156.7, 0.00296046/step Wall: 10156.7, 0.00296046/step, 1.235 hours remaining, 207.894531 MB of memory in use. ENERGY: 3498200 725.9778 2110.6098 1955.8260 109.9042 -206457.0131 17936.0985 0.0000 0.0000 34242.0353 -149376.5616 299.0442 -183618.5969 -149277.5083 299.0650 -18.2857 13.7166 558490.6324 20.3325 20.2951 PRESSURE: 3498400 56.1021 55.6635 -31.2298 55.6633 -114.656 27.1751 -31.2288 27.1739 0.108086 GPRESSURE: 3498400 67.8787 6.02334 -1.75066 141.473 -73.6784 -5.43776 -7.81781 18.9706 42.5744 PRESSAVG: 3498400 -4.63445 14.5268 9.25109 14.5268 -42.4719 -25.4319 9.25113 -25.4319 61.2812 GPRESSAVG: 3498400 -5.05261 13.0387 9.46084 15.8793 -41.4743 -24.692 8.68648 -25.5931 61.3063 TIMING: 3498400 CPU: 10157.3, 0.00297809/step Wall: 10157.3, 0.00297809/step, 1.24219 hours remaining, 207.894531 MB of memory in use. ENERGY: 3498400 779.4676 2085.7037 1969.9694 104.1507 -206578.0493 17896.6970 0.0000 0.0000 34555.2617 -149186.7992 301.7797 -183742.0609 -149084.1953 299.5705 -19.4818 12.2582 557960.8462 4.7250 4.9265 PRESSURE: 3498600 -227.202 -42.9233 -84.8372 -42.9244 -41.2487 -93.2812 -84.8365 -93.2811 62.7305 GPRESSURE: 3498600 -219.117 -27.1559 13.0232 -26.7205 -25.116 -63.8887 -73.8478 -80.217 131.913 PRESSAVG: 3498600 -26.4749 -14.8751 28.3521 -14.8751 7.14722 -5.50924 28.3521 -5.50933 34.8833 GPRESSAVG: 3498600 -26.6892 -13.6091 28.63 -16.2958 9.42308 -5.28966 27.9501 -5.91327 33.1051 TIMING: 3498600 CPU: 10157.9, 0.00297402/step Wall: 10157.9, 0.00297402/step, 1.24033 hours remaining, 207.894531 MB of memory in use. ENERGY: 3498600 740.1436 2175.0963 1983.7118 120.1578 -206077.6752 17583.5051 0.0000 0.0000 34351.6498 -149123.4107 300.0015 -183475.0605 -149032.6141 299.0936 -68.5733 -37.4402 557751.1872 5.1852 5.2797 PRESSURE: 3498800 129.836 -77.4084 -6.36098 -77.4081 264.313 -2.51225 -6.36248 -2.5113 -63.0053 GPRESSURE: 3498800 154.817 -49.1819 -74.4068 -92.2665 344.837 -43.1137 64.353 -58.7044 -70.7903 PRESSAVG: 3498800 -3.76723 -0.0469424 -16.1348 -0.04701 2.48415 5.46838 -16.1348 5.46836 -37.3611 GPRESSAVG: 3498800 -2.02354 0.434699 -16.2963 0.253928 -0.843343 4.71775 -15.8533 5.53303 -36.1961 TIMING: 3498800 CPU: 10158.5, 0.00297485/step Wall: 10158.5, 0.00297485/step, 1.24051 hours remaining, 207.894531 MB of memory in use. ENERGY: 3498800 746.6858 2168.7416 1946.1243 113.4322 -206381.8604 18012.9393 0.0000 0.0000 34306.4995 -149087.4376 299.6072 -183393.9372 -148993.6321 299.6243 110.3813 142.9544 557488.5765 -12.8814 -13.0210 PRESSURE: 3499000 -116.146 -3.03487 222.44 -3.0347 -208.356 -99.9279 222.439 -99.928 -45.6816 GPRESSURE: 3499000 -129.588 -24.8065 272.728 17.6484 -148.004 -73.7881 154.224 -148.746 -7.39445 PRESSAVG: 3499000 68.8764 59.1107 37.089 59.1106 -13.2741 -36.3145 37.0891 -36.3145 -63.2711 GPRESSAVG: 3499000 68.5664 57.9072 36.3318 59.8199 -12.0148 -33.9629 38.871 -35.9127 -63.9901 TIMING: 3499000 CPU: 10159.1, 0.00296069/step Wall: 10159.1, 0.00296069/step, 1.23444 hours remaining, 207.894531 MB of memory in use. ENERGY: 3499000 756.4782 2131.1070 1957.3102 116.7409 -206103.3359 17748.4085 0.0000 0.0000 34118.5362 -149274.7550 297.9657 -183393.2912 -149174.0807 299.2538 -123.3947 -94.9953 558135.1216 -2.5563 -2.4795 PRESSURE: 3499200 -57.8778 61.7636 -57.1866 61.7632 234.084 -52.8314 -57.1869 -52.8305 -132.699 GPRESSURE: 3499200 -41.1192 136.73 -104.546 -18.4215 279.966 -135.1 -22.692 -4.99281 -86.4758 PRESSAVG: 3499200 44.4714 0.747716 17.2081 0.747749 -36.8249 -7.12241 17.2081 -7.12241 -21.8661 GPRESSAVG: 3499200 42.4992 3.16885 17.7595 -0.970886 -36.5786 -8.93577 17.6029 -8.55825 -20.1896 TIMING: 3499200 CPU: 10159.7, 0.00294147/step Wall: 10159.7, 0.00294147/step, 1.22627 hours remaining, 207.894531 MB of memory in use. ENERGY: 3499200 748.6847 2079.1236 1977.9876 113.3077 -206132.5847 17702.6515 0.0000 0.0000 34341.5192 -149169.3105 299.9130 -183510.8297 -149069.6093 298.6448 14.5026 50.7903 558165.4762 -4.7399 -4.7563 PRESSURE: 3499400 220.839 -75.1228 34.7011 -75.1236 -108.654 -89.6754 34.702 -89.6752 197.569 GPRESSURE: 3499400 287.897 -34.7994 34.5571 -86.7127 -105.617 -4.17829 37.3895 -125.505 223.644 PRESSAVG: 3499400 -27.495 13.9311 -20.0958 13.9311 -38.7839 31.563 -20.0958 31.5629 36.3393 GPRESSAVG: 3499400 -27.3161 13.04 -18.2906 15.5214 -37.7928 32.1147 -20.8552 31.4275 35.1609 TIMING: 3499400 CPU: 10160.3, 0.00298704/step Wall: 10160.3, 0.00298704/step, 1.2451 hours remaining, 207.894531 MB of memory in use. ENERGY: 3499400 729.8693 2109.0250 1970.3847 126.9109 -206415.9624 18015.8153 0.0000 0.0000 34340.2631 -149123.6941 299.9021 -183463.9571 -149023.1553 299.3770 103.2513 135.3082 556933.8122 -9.9799 -9.9827 PRESSURE: 3499600 70.3113 -99.082 63.058 -99.0824 70.6782 30.6979 63.0595 30.6997 19.5477 GPRESSURE: 3499600 87.0028 -108.109 64.934 -119.947 128.13 123.656 21.231 -86.4639 46.6812 PRESSAVG: 3499600 72.7028 -38.6386 22.1506 -38.6385 14.9687 27.009 22.1506 27.0091 -41.7022 GPRESSAVG: 3499600 73.4534 -38.2998 19.0783 -38.4992 13.3679 25.0325 21.7564 30.6269 -41.4328 TIMING: 3499600 CPU: 10160.9, 0.00296448/step Wall: 10160.9, 0.00296448/step, 1.23553 hours remaining, 207.894531 MB of memory in use. ENERGY: 3499600 726.8513 2117.7637 1972.9726 124.0692 -206261.7942 17761.2395 0.0000 0.0000 34446.8503 -149112.0477 300.8329 -183558.8979 -149010.8976 299.4297 53.5124 87.2712 557028.1215 15.3231 15.1295 PRESSURE: 3499800 154.725 -108.415 -56.538 -108.415 -60.6987 138.608 -56.5387 138.608 130.982 GPRESSURE: 3499800 178.647 -151.126 -102.683 -110.249 -39.5981 97.3405 -25.3899 95.0894 185.647 PRESSAVG: 3499800 -8.09858 -10.2992 44.3714 -10.2992 -44.2481 -6.59806 44.3714 -6.59811 56.777 GPRESSAVG: 3499800 -9.71334 -11.2793 44.2745 -10.9984 -42.7256 -5.02269 43.5957 -8.73735 56.9436 TIMING: 3499800 CPU: 10161.5, 0.00298372/step Wall: 10161.5, 0.00298372/step, 1.24338 hours remaining, 207.894531 MB of memory in use. ENERGY: 3499800 718.1085 2082.3923 1980.3087 112.0888 -206718.9131 18197.2706 0.0000 0.0000 34463.8737 -149164.8705 300.9816 -183628.7442 -149066.5087 299.9474 75.0030 108.2321 557426.0728 1.4768 1.5015 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3500000 -377.859 1.9298 10.7268 1.92968 -118.906 -140.004 10.7265 -140.004 64.3274 GPRESSURE: 3500000 -306.762 38.2773 -20.4973 -16.3724 -58.1558 -129.337 29.2975 -98.9789 30.1798 PRESSAVG: 3500000 -7.05516 -14.1121 -11.0084 -14.112 -32.7695 64.0263 -11.0085 64.0263 23.9669 GPRESSAVG: 3500000 -6.81594 -14.5095 -11.0369 -13.8556 -33.3693 63.5617 -7.99708 64.6454 24.68 TIMING: 3500000 CPU: 10162.1, 0.00303525/step Wall: 10162.1, 0.00303525/step, 1.26469 hours remaining, 207.894531 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: 3500000 739.4682 2070.1458 1950.8409 131.4907 -205854.2025 17545.5868 0.0000 0.0000 34387.4239 -149029.2463 300.3139 -183416.6701 -148929.7569 299.4010 -144.1460 -111.5794 558433.3234 -5.2859 -5.1684 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 -10.2695 143.814 28.3217 143.814 150.606 -39.4506 28.321 -39.4504 -60.2506 GPRESSURE: 3500200 54.0523 70.8112 -39.9827 181.899 167.18 -34.2226 16.8866 -77.9655 -45.3461 PRESSAVG: 3500200 5.90755 4.57621 5.33912 4.57613 -18.7268 13.9163 5.33915 13.9163 -20.7247 GPRESSAVG: 3500200 6.09025 5.37215 6.96454 4.99282 -18.8276 14.8832 2.8562 13.2331 -21.4255 TIMING: 3500200 CPU: 10162.7, 0.00301769/step Wall: 10162.7, 0.00301769/step, 1.25721 hours remaining, 207.894531 MB of memory in use. ENERGY: 3500200 689.8395 2077.0450 1966.0901 116.2140 -205710.2365 17682.9288 0.0000 0.0000 34384.7718 -148793.3474 300.2908 -183178.1192 -148696.5695 300.1824 26.6952 58.6287 558991.2415 -11.1813 -11.3876 LDB: ============= START OF LOAD BALANCING ============== 10166.1 LDB: ============== END OF LOAD BALANCING =============== 10166.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10166.1 LDB: ============= START OF LOAD BALANCING ============== 10166.4 LDB: Largest compute 4820 load 0.034146 is 29.0% of average load 0.117764 LDB: Average compute 0.001734 is 1.5% of average load 0.117764 LDB: TIME 10166.4 LOAD: AVG 0.117764 MAX 0.177896 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 10166.4 LOAD: AVG 0.117764 MAX 0.177896 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 10166.4 LOAD: AVG 0.117764 MAX 0.177896 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10166.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10166.5 PRESSURE: 3500400 -40.8462 91.555 -33.658 91.555 -52.3664 144.165 -33.6582 144.165 -175.598 GPRESSURE: 3500400 -47.4604 206.079 -24.361 50.524 4.7724 182.624 -59.3825 112.913 -132.014 PRESSAVG: 3500400 19.3347 4.05316 21.4498 4.05312 25.0425 13.6425 21.4498 13.6425 -32.223 GPRESSAVG: 3500400 18.7642 4.86189 20.9764 4.42275 25.6583 11.5593 20.3681 14.1882 -32.6969 TIMING: 3500400 CPU: 10163.3, 0.0030345/step Wall: 10163.3, 0.0030345/step, 1.26404 hours remaining, 207.902344 MB of memory in use. ENERGY: 3500400 738.6011 2084.1158 1950.9243 119.3505 -205601.9296 17572.3860 0.0000 0.0000 34588.5668 -148547.9850 302.0706 -183136.5519 -148453.1568 300.8537 -89.6035 -58.2339 557737.2269 4.0514 3.9085 PRESSURE: 3500600 -234.564 -52.3586 -67.5035 -52.36 -85.0999 -58.9901 -67.5045 -58.9906 -109.581 GPRESSURE: 3500600 -188.416 -181.491 -20.3669 -39.9571 -64.9811 -42.1738 -131.428 -127.397 -83.1697 PRESSAVG: 3500600 -53.438 -35.056 1.58287 -35.056 38.307 -37.2295 1.58287 -37.2295 14.8462 GPRESSAVG: 3500600 -54.0308 -38.2521 1.15909 -35.3999 38.2228 -33.0889 3.0585 -39.1604 15.2597 TIMING: 3500600 CPU: 10163.9, 0.00296131/step Wall: 10163.9, 0.00296131/step, 1.23339 hours remaining, 207.972656 MB of memory in use. ENERGY: 3500600 743.4254 2082.6459 1962.0763 109.0261 -205072.9267 17223.5577 0.0000 0.0000 34351.2661 -148600.9292 299.9982 -182952.1953 -148506.9418 300.9937 -143.0816 -112.1889 557918.8444 -0.0949 -0.1827 PRESSURE: 3500800 -183.295 223.164 -8.97393 223.164 -31.9605 124.043 -8.97339 124.042 14.1792 GPRESSURE: 3500800 -166.153 254.016 21.6746 169.457 58.6874 112.787 -67.6851 96.4093 -3.12256 PRESSAVG: 3500800 -42.4736 24.3621 22.4205 24.3622 4.69937 -51.1783 22.4205 -51.1782 29.72 GPRESSAVG: 3500800 -42.1638 26.5682 22.7366 22.9574 4.20133 -52.7961 22.0618 -49.9141 29.2682 TIMING: 3500800 CPU: 10164.5, 0.00294809/step Wall: 10164.5, 0.00294809/step, 1.22771 hours remaining, 207.972656 MB of memory in use. ENERGY: 3500800 771.5634 2023.6003 1980.3092 112.5065 -205706.7614 17800.1560 0.0000 0.0000 34292.6771 -148725.9487 299.4865 -183018.6259 -148622.5782 300.7600 -67.0256 -36.8627 558638.1885 -2.6847 -2.8981 PRESSURE: 3501000 -70.887 -103.99 -87.3397 -103.989 85.5671 -62.7787 -87.3387 -62.7798 -343.311 GPRESSURE: 3501000 -54.2346 -39.9286 -28.6045 -127.541 120.174 -75.2337 -87.8325 -67.9737 -290.798 PRESSAVG: 3501000 -34.9179 10.1181 -11.0815 10.1181 24.4454 -17.8152 -11.0815 -17.8153 7.97723 GPRESSAVG: 3501000 -35.2431 10.9472 -9.82417 10.5281 24.3537 -16.8407 -10.0076 -18.6451 8.00782 TIMING: 3501000 CPU: 10165, 0.00296463/step Wall: 10165, 0.00296462/step, 1.23444 hours remaining, 207.972656 MB of memory in use. ENERGY: 3501000 769.3153 2074.9065 1962.9693 106.9842 -205272.4467 17448.7804 0.0000 0.0000 34404.2969 -148505.1941 300.4613 -182909.4911 -148406.2919 300.6997 -109.5436 -74.9529 559368.6834 -0.8318 -0.9605 PRESSURE: 3501200 -33.4733 -120.717 -135.929 -120.717 -440.24 -59.8901 -135.929 -59.8908 -605.946 GPRESSURE: 3501200 -51.1065 -145.032 -81.0289 -84.4215 -363.989 6.39754 -155.072 -32.7573 -573.787 PRESSAVG: 3501200 105.205 12.3672 18.1999 12.3672 -4.62926 -26.1519 18.1999 -26.1519 -133.702 GPRESSAVG: 3501200 105.261 10.3664 16.0181 14.1572 -4.25799 -27.5466 17.6397 -23.9122 -134.27 TIMING: 3501200 CPU: 10165.6, 0.00296756/step Wall: 10165.6, 0.00296756/step, 1.23549 hours remaining, 208.042969 MB of memory in use. ENERGY: 3501200 760.6279 2070.0528 1945.1896 114.0608 -205002.6613 17161.8389 0.0000 0.0000 34396.9385 -148553.9529 300.3970 -182950.8914 -148456.0673 301.2444 -359.8865 -329.6275 558996.4139 -11.0422 -11.0891 PRESSURE: 3501400 -88.9652 -57.016 -61.8859 -57.016 265.703 -132.463 -61.8864 -132.464 87.9072 GPRESSURE: 3501400 -27.7227 30.5052 -11.0556 -115.593 342.691 -72.2376 -158.743 -125.628 53.2734 PRESSAVG: 3501400 8.44499 -8.66228 -25.8699 -8.66231 -9.18437 -37.1728 -25.8698 -37.1728 -27.6478 GPRESSAVG: 3501400 6.57837 -5.70033 -23.6918 -11.3361 -8.45462 -38.0221 -28.038 -39.4234 -26.4785 TIMING: 3501400 CPU: 10166.2, 0.0029177/step Wall: 10166.2, 0.0029177/step, 1.21457 hours remaining, 208.042969 MB of memory in use. ENERGY: 3501400 745.9131 2060.6789 1975.4862 110.1627 -205734.6964 17713.6497 0.0000 0.0000 34493.3599 -148635.4459 301.2391 -183128.8059 -148534.1484 300.4328 88.2151 122.7473 557316.4730 -9.4624 -9.4516 PRESSURE: 3501600 354.165 -267.293 80.6701 -267.295 378.644 -82.7981 80.6701 -82.7982 256.318 GPRESSURE: 3501600 333.188 -327.919 70.9611 -239.404 476.331 -74.0657 87.2329 -35.3268 269.933 PRESSAVG: 3501600 -68.6237 13.8667 -58.7842 13.8668 87.3209 43.4729 -58.7841 43.4729 -27.6288 GPRESSAVG: 3501600 -67.3944 12.2777 -58.8326 16.3321 86.0405 44.7305 -58.4148 44.8982 -27.458 TIMING: 3501600 CPU: 10166.8, 0.00291367/step Wall: 10166.8, 0.00291367/step, 1.21273 hours remaining, 208.109375 MB of memory in use. ENERGY: 3501600 728.7494 2103.4862 1967.6492 106.2824 -206437.9920 18223.5105 0.0000 0.0000 34692.5954 -148615.7189 302.9791 -183308.3144 -148528.1898 300.7923 329.7087 359.8173 557093.2731 -2.9772 -2.9373 PRESSURE: 3501800 -9.53656 29.8005 -170.946 29.8022 -177.809 23.3179 -170.947 23.3184 -218.08 GPRESSURE: 3501800 6.69336 48.2748 -95.3511 -38.4254 -91.2365 106.965 -166.517 -10.4861 -225.928 PRESSAVG: 3501800 11.0321 43.9383 -25.7277 43.9383 63.5064 36.5556 -25.7277 36.5556 -49.3216 GPRESSAVG: 3501800 11.3371 42.8319 -25.9263 44.371 63.8903 35.0905 -26.3108 34.5604 -49.7969 TIMING: 3501800 CPU: 10167.4, 0.00293709/step Wall: 10167.4, 0.00293709/step, 1.22232 hours remaining, 208.109375 MB of memory in use. ENERGY: 3501800 745.1354 2090.5767 1937.5142 111.3955 -205489.1613 17575.8836 0.0000 0.0000 34411.0082 -148617.6477 300.5199 -183028.6559 -148513.6076 301.6136 -135.1419 -103.4905 559041.2924 8.4056 8.4769 PRESSURE: 3502000 -25.9699 -172.588 7.95218 -172.588 -99.69 -55.4425 7.95413 -55.4437 111.208 GPRESSURE: 3502000 25.2341 -96.925 -5.9229 -207.173 -90.8122 -53.5631 -16.9863 11.754 138.473 PRESSAVG: 3502000 -19.3491 12.8182 -49.1012 12.8182 -31.4502 31.7877 -49.1011 31.7877 16.6475 GPRESSAVG: 3502000 -19.9868 14.6253 -49.648 11.2481 -31.6627 32.6996 -46.6737 33.8421 17.1895 TIMING: 3502000 CPU: 10168, 0.002941/step Wall: 10168, 0.002941/step, 1.22378 hours remaining, 208.109375 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: 3502000 729.3704 2069.8709 1958.6900 111.5581 -205631.8359 17587.6489 0.0000 0.0000 34464.4448 -148710.2527 300.9866 -183174.6976 -148607.1710 300.6403 -4.8174 24.2984 557365.1651 -11.3839 -11.4866 PRESSURE: 3502200 -104.116 25.2095 65.641 25.2095 113.126 -0.67408 65.6413 -0.675165 -15.5516 GPRESSURE: 3502200 -62.3908 96.9255 116.975 -56.9555 64.5011 -43.0898 56.7372 25.3874 78.3437 PRESSAVG: 3502200 -20.2598 -61.1608 12.1867 -61.1607 -27.5527 16.7199 12.1867 16.72 52.5073 GPRESSAVG: 3502200 -19.513 -63.0313 14.4451 -59.2663 -28.6394 15.3251 10.524 16.2595 52.7757 TIMING: 3502200 CPU: 10168.6, 0.00295495/step Wall: 10168.6, 0.00295495/step, 1.22942 hours remaining, 208.109375 MB of memory in use. ENERGY: 3502200 750.7607 2087.4379 1954.7472 115.5134 -205957.7196 17643.4142 0.0000 0.0000 34448.3763 -148957.4699 300.8462 -183405.8462 -148864.6968 299.7380 -2.1805 26.8180 556980.2511 1.5649 1.5411 PRESSURE: 3502400 65.2718 12.6628 -83.2861 12.662 -38.7351 66.1609 -83.2853 66.1602 120.073 GPRESSURE: 3502400 96.7838 11.529 -79.4104 25.5304 7.55087 47.4884 -21.7008 71.6937 142.319 PRESSAVG: 3502400 -106 -19.0874 9.9283 -19.0874 31.342 19.8546 9.92826 19.8547 -26.2754 GPRESSAVG: 3502400 -106.426 -19.5126 9.14113 -20.8624 31.8991 21.4317 8.75626 17.76 -26.3975 TIMING: 3502400 CPU: 10169.2, 0.00295848/step Wall: 10169.2, 0.00295848/step, 1.23073 hours remaining, 208.109375 MB of memory in use. ENERGY: 3502400 692.5019 2046.1829 1962.6811 104.8842 -205659.0208 17720.7067 0.0000 0.0000 34204.2130 -148927.8510 298.7139 -183132.0641 -148828.8879 299.4488 48.8699 82.2180 557646.6625 -33.6444 -33.6415 PRESSURE: 3502600 131.749 36.1161 -51.5269 36.1179 106.878 -112.352 -51.5269 -112.352 265.658 GPRESSURE: 3502600 171.54 -10.497 -147.879 42.3079 161.495 -108.642 21.0118 -58.7827 260.381 PRESSAVG: 3502600 -56.5432 -8.18617 -35.3635 -8.1862 32.6086 48.4709 -35.3634 48.471 67.7339 GPRESSAVG: 3502600 -56.7527 -6.10308 -35.3464 -9.10592 34.3342 49.9289 -32.6923 48.6883 66.0089 TIMING: 3502600 CPU: 10169.8, 0.00295326/step Wall: 10169.8, 0.00295326/step, 1.22839 hours remaining, 208.109375 MB of memory in use. ENERGY: 3502600 731.5513 2101.8444 1970.3513 124.5479 -206224.5365 17997.7419 0.0000 0.0000 34336.0675 -148962.4322 299.8654 -183298.4997 -148865.2734 299.6660 168.0952 197.8053 558475.9966 14.5998 14.5301 PRESSURE: 3502800 -175.071 5.35951 275.825 5.35944 -300.967 91.3982 275.826 91.3974 -320.547 GPRESSURE: 3502800 -135.66 -17.8483 229.813 69.5642 -304.606 45.0454 230.462 94.7888 -266.365 PRESSAVG: 3502800 26.2652 -0.81844 11.6263 -0.81848 -16.2321 29.0446 11.6265 29.0445 -52.0426 GPRESSAVG: 3502800 27.1039 -1.09861 6.81111 0.347796 -17.4886 28.2242 13.3004 29.6663 -51.3295 TIMING: 3502800 CPU: 10170.4, 0.00296424/step Wall: 10170.4, 0.00296424/step, 1.23279 hours remaining, 208.109375 MB of memory in use. ENERGY: 3502800 760.5454 2057.1171 1959.7725 118.6228 -205598.8204 17445.0813 0.0000 0.0000 34322.9380 -148934.7434 299.7508 -183257.6814 -148839.3721 299.7148 -265.5284 -235.5436 558505.1047 -14.0032 -13.9047 PRESSURE: 3503000 -281.431 72.6044 83.6685 72.6033 -14.1579 147.305 83.6673 147.306 -161.324 GPRESSURE: 3503000 -239.078 11.1554 61.2758 206.305 -23.2193 148.633 59.6419 114.511 -101.344 PRESSAVG: 3503000 -31.932 24.2457 40.6412 24.2457 15.708 60.1405 40.6413 60.1404 -13.1051 GPRESSAVG: 3503000 -32.3403 23.4402 46.583 23.6924 16.1112 58.879 37.4069 58.9415 -13.048 TIMING: 3503000 CPU: 10170.9, 0.00297728/step Wall: 10170.9, 0.00297728/step, 1.23805 hours remaining, 208.109375 MB of memory in use. ENERGY: 3503000 733.0520 2078.8626 1964.6273 117.9306 -205482.6088 17460.3582 0.0000 0.0000 34264.2855 -148863.4927 299.2385 -183127.7782 -148768.2091 299.7785 -152.3044 -121.2139 557581.1790 -9.7764 -9.7590 PRESSURE: 3503200 59.8683 -39.7107 97.1731 -39.712 -173.107 -67.6099 97.1726 -67.6121 86.7431 GPRESSURE: 3503200 90.4351 16.8731 69.42 -90.5654 -107.966 -93.5726 85.8171 -89.5009 84.2035 PRESSAVG: 3503200 -15.9295 2.37047 14.1736 2.37039 54.4171 -6.95371 14.1735 -6.95377 -66.1503 GPRESSAVG: 3503200 -15.5951 4.54241 12.9529 0.0135825 53.62 -6.67187 15.1697 -6.51747 -65.691 TIMING: 3503200 CPU: 10171.5, 0.00296522/step Wall: 10171.5, 0.00296522/step, 1.23287 hours remaining, 208.109375 MB of memory in use. ENERGY: 3503200 774.5779 2070.5260 1972.1622 132.7227 -205914.8314 17650.2712 0.0000 0.0000 34509.6134 -148804.9580 301.3810 -183314.5714 -148707.7858 300.2017 -8.8320 22.2243 556637.6457 -9.2209 -9.2220 PRESSURE: 3503400 -120.556 -77.971 -102.385 -77.9715 -166.399 99.5496 -102.385 99.5502 -241.862 GPRESSURE: 3503400 -157.021 -91.4927 -52.2354 -70.5633 -143.46 9.57424 -133.086 145.351 -144.342 PRESSAVG: 3503400 6.04094 -20.6825 39.2371 -20.6825 48.2559 4.67193 39.2372 4.67193 -95.2559 GPRESSAVG: 3503400 6.1295 -20.3166 38.054 -20.4162 47.7473 6.35177 39.7525 6.00913 -94.7145 TIMING: 3503400 CPU: 10172.1, 0.00296941/step Wall: 10172.1, 0.00296941/step, 1.23445 hours remaining, 208.109375 MB of memory in use. ENERGY: 3503400 754.7848 2070.9170 1962.8896 113.2338 -205568.8285 17486.1794 0.0000 0.0000 34433.8147 -148747.0092 300.7191 -183180.8239 -148651.9378 300.2856 -176.2722 -148.2742 559098.8400 -13.6530 -13.6126 PRESSURE: 3503600 283.885 32.6293 16.8784 32.6293 91.8508 -40.2851 16.8789 -40.2858 -89.8823 GPRESSURE: 3503600 278.519 7.1541 148.202 -39.8422 143.49 -41.078 19.0264 -51.4029 -39.9228 PRESSAVG: 3503600 46.0386 -24.6717 -23.7208 -24.6717 17.8339 -66.5762 -23.7207 -66.5762 -35.8074 GPRESSAVG: 3503600 46.7018 -26.9009 -23.812 -24.164 18.277 -66.6543 -22.973 -67.8101 -37.5617 TIMING: 3503600 CPU: 10172.7, 0.00291136/step Wall: 10172.7, 0.00291136/step, 1.21016 hours remaining, 208.109375 MB of memory in use. ENERGY: 3503600 763.5692 2110.3066 1964.7382 106.1369 -206072.7509 17974.0687 0.0000 0.0000 34300.7941 -148853.1373 299.5574 -183153.9314 -148760.5129 300.0771 95.2844 127.3621 558366.8170 9.3550 9.1390 PRESSURE: 3503800 -53.5203 -56.9524 -141.372 -56.9515 -308.701 -6.95296 -141.373 -6.95362 -251.285 GPRESSURE: 3503800 -9.82548 -80.2114 -73.7532 -16.3025 -277.387 -44.2863 -144.732 6.99947 -234.771 PRESSAVG: 3503800 27.986 -7.10781 4.0096 -7.10777 -3.05069 -18.1671 4.00968 -18.167 -21.1633 GPRESSAVG: 3503800 26.8741 -6.88861 5.78365 -6.33184 -2.46093 -20.1331 2.93388 -15.7824 -20.4195 TIMING: 3503800 CPU: 10173.3, 0.0029519/step Wall: 10173.3, 0.0029519/step, 1.22684 hours remaining, 208.109375 MB of memory in use. ENERGY: 3503800 759.8215 2068.0777 1963.7571 123.9356 -205311.4208 17430.7977 0.0000 0.0000 34304.9716 -148660.0597 299.5938 -182965.0313 -148561.1846 300.1317 -204.5021 -173.9943 559450.4054 1.2573 1.3312 PRESSURE: 3504000 -162.969 -189.07 104.979 -189.069 37.7868 -40.6743 104.979 -40.6751 246.348 GPRESSURE: 3504000 -138.645 -208.139 94.6683 -130.971 115.175 -46.7104 87.217 -81.7512 236.795 PRESSAVG: 3504000 -12.8116 -38.9134 -10.8817 -38.9133 -23.3506 -0.180815 -10.8816 -0.180666 -0.410718 GPRESSAVG: 3504000 -11.9719 -40.8064 -12.2372 -37.5041 -24.0297 1.2673 -9.68528 -3.44483 -0.0423992 TIMING: 3504000 CPU: 10173.9, 0.00297264/step Wall: 10173.9, 0.00297264/step, 1.2353 hours remaining, 208.109375 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: 3504000 724.0691 2104.4337 1987.4937 118.8903 -206128.1894 17844.6926 0.0000 0.0000 34580.3018 -148768.3081 301.9984 -183348.6100 -148666.5530 300.3610 40.3887 71.1083 557394.9420 -12.1910 -12.0147 PRESSURE: 3504200 -33.5881 155.863 -257.537 155.863 196.027 -64.404 -257.538 -64.4034 -8.10675 GPRESSURE: 3504200 -64.7371 147.712 -282.298 165.189 214.42 59.0033 -267.369 -67.6961 99.5717 PRESSAVG: 3504200 4.80471 -53.0949 46.5475 -53.095 10.7414 7.95481 46.5475 7.95482 -10.369 GPRESSAVG: 3504200 4.01451 -51.2901 47.1155 -54.4381 11.1461 8.6791 46.6682 8.44497 -9.91294 TIMING: 3504200 CPU: 10174.5, 0.00295852/step Wall: 10174.5, 0.00295852/step, 1.22926 hours remaining, 208.109375 MB of memory in use. ENERGY: 3504200 719.4030 2121.3753 1978.8273 111.0540 -206185.9771 18000.7778 0.0000 0.0000 34521.5069 -148733.0328 301.4849 -183254.5397 -148640.8719 300.9009 51.4439 83.0850 558167.1338 1.7257 1.7492 LDB: ============= START OF LOAD BALANCING ============== 10178 LDB: ============== END OF LOAD BALANCING =============== 10178 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10178 LDB: ============= START OF LOAD BALANCING ============== 10178.3 LDB: Largest compute 4820 load 0.033833 is 28.7% of average load 0.117874 LDB: Average compute 0.001721 is 1.5% of average load 0.117874 LDB: TIME 10178.3 LOAD: AVG 0.117874 MAX 0.176118 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.73 MB LDB: TIME 10178.3 LOAD: AVG 0.117874 MAX 0.176118 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: TIME 10178.3 LOAD: AVG 0.117874 MAX 0.176118 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10178.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10178.3 PRESSURE: 3504400 -6.85044 134.823 -138.899 134.824 206.667 27.3008 -138.898 27.3014 57.5202 GPRESSURE: 3504400 19.4461 71.2509 -255.965 125.387 252.173 6.50488 -111.442 63.6598 74.6679 PRESSAVG: 3504400 -10.5943 -21.1639 -32.1064 -21.1638 10.3565 20.6095 -32.1066 20.6096 -45.1535 GPRESSAVG: 3504400 -11.8845 -19.168 -32.6778 -21.1431 10.7641 19.3799 -32.1718 22.5357 -44.5261 TIMING: 3504400 CPU: 10175.1, 0.00302633/step Wall: 10175.1, 0.00302633/step, 1.25727 hours remaining, 207.160156 MB of memory in use. ENERGY: 3504400 764.3204 2119.1742 1969.5317 103.4118 -206159.3326 17836.2826 0.0000 0.0000 34326.1916 -149040.4202 299.7792 -183366.6119 -148937.1819 300.1101 85.7790 115.4291 556059.7996 -15.1305 -15.2155 PRESSURE: 3504600 44.258 128.098 -64.7258 128.099 -19.9923 -58.55 -64.7276 -58.5497 155.313 GPRESSURE: 3504600 80.1582 99.8919 52.4391 177.77 19.8454 -11.2202 -154.696 -116.108 177.155 PRESSAVG: 3504600 -37.9914 -4.41098 -26.8505 -4.41098 110.207 26.9936 -26.8505 26.9936 -18.0726 GPRESSAVG: 3504600 -35.9045 -5.69552 -25.6461 -4.04947 109.971 27.4597 -26.1204 25.9483 -20.1264 TIMING: 3504600 CPU: 10175.7, 0.0029703/step Wall: 10175.7, 0.00297031/step, 1.23383 hours remaining, 207.230469 MB of memory in use. ENERGY: 3504600 738.7477 2072.3631 1952.3493 106.8773 -206059.6818 17806.8157 0.0000 0.0000 34437.1912 -148945.3374 300.7486 -183382.5286 -148843.3323 300.2454 59.8594 92.3862 557070.7706 18.0476 17.9802 PRESSURE: 3504800 -160.13 -43.661 -105.973 -43.6601 193.913 10.5132 -105.973 10.5121 -109.53 GPRESSURE: 3504800 -135.789 -20.4026 -98.3226 -43.5088 172.931 7.63203 -101.408 58.9535 -28.7365 PRESSAVG: 3504800 -60.499 12.9488 -0.760523 12.9488 46.9638 -59.979 -0.76044 -59.9791 -2.30738 GPRESSAVG: 3504800 -61.867 12.2314 -2.75938 13.7055 47.0159 -61.5545 -1.70472 -59.6544 -0.544308 TIMING: 3504800 CPU: 10176.3, 0.00296143/step Wall: 10176.3, 0.00296143/step, 1.22998 hours remaining, 207.230469 MB of memory in use. ENERGY: 3504800 736.4228 2095.8214 1945.4326 126.1258 -206204.6794 17796.7765 0.0000 0.0000 34507.6660 -148996.4343 301.3640 -183504.1003 -148898.6235 299.8390 -25.2489 2.8021 558163.4341 -5.2809 -5.1318 PRESSURE: 3505000 -425.869 227.702 -107.073 227.703 11.5995 -16.3928 -107.074 -16.3927 -101.332 GPRESSURE: 3505000 -358.309 174.754 -27.8025 151.483 1.29815 -84.6281 -105.158 50.593 -62.7007 PRESSAVG: 3505000 -54.6437 2.32397 -13.1907 2.32404 44.4239 24.0744 -13.1907 24.0743 5.43359 GPRESSAVG: 3505000 -52.8548 3.37803 -11.0163 0.450512 43.3814 27.3273 -13.3125 21.9426 4.80508 TIMING: 3505000 CPU: 10176.9, 0.00291538/step Wall: 10176.9, 0.00291538/step, 1.21069 hours remaining, 207.230469 MB of memory in use. ENERGY: 3505000 750.7343 2125.2829 1936.9442 117.4053 -205619.2921 17589.6322 0.0000 0.0000 34195.4415 -148903.8517 298.6373 -183099.2932 -148811.1449 299.5022 -171.8673 -139.9037 559556.5291 -1.5954 -1.5561 PRESSURE: 3505200 117.953 -2.54633 -25.1693 -2.54584 -41.464 58.1156 -25.1679 58.1131 21.1995 GPRESSURE: 3505200 160.059 18.658 47.2479 -55.2028 -29.1616 116.871 -79.0484 -53.4508 75.2928 PRESSAVG: 3505200 -3.8878 -7.98235 -54.804 -7.9823 5.08369 -58.0131 -54.8039 -58.013 2.64556 GPRESSAVG: 3505200 -5.60892 -9.42082 -56.8269 -8.35232 5.37511 -59.4527 -55.4148 -57.598 3.97361 TIMING: 3505200 CPU: 10177.5, 0.00292517/step Wall: 10177.5, 0.00292516/step, 1.21459 hours remaining, 207.230469 MB of memory in use. ENERGY: 3505200 742.3043 2079.3174 1921.2941 118.2185 -205953.2045 17992.8767 0.0000 0.0000 34217.1012 -148882.0922 298.8265 -183099.1934 -148786.4769 299.1464 32.5628 68.7301 559799.5243 1.2805 1.2466 PRESSURE: 3505400 -135.979 -59.7941 97.1775 -59.7938 -199.05 -131.503 97.1769 -131.502 -92.2312 GPRESSURE: 3505400 -116.359 -95.6179 40.2864 -68.5506 -166.281 -111.958 142.328 -111.063 -33.8243 PRESSAVG: 3505400 23.2644 17.3529 1.83082 17.3528 12.3765 7.41485 1.83077 7.41477 8.19623 GPRESSAVG: 3505400 24.8504 16.8321 2.02181 18.382 12.7242 5.03284 4.58913 6.9954 6.40728 TIMING: 3505400 CPU: 10178, 0.0029616/step Wall: 10178, 0.0029616/step, 1.22956 hours remaining, 207.230469 MB of memory in use. ENERGY: 3505400 733.9213 2056.5778 1960.4562 98.9938 -206145.7389 17674.2745 0.0000 0.0000 34577.0950 -149044.4203 301.9704 -183621.5153 -148948.7559 299.4359 -142.4201 -105.4880 559801.1613 14.6124 14.6606 PRESSURE: 3505600 102.51 -48.6568 -107.433 -48.6577 43.3591 -41.734 -107.433 -41.7345 207.268 GPRESSURE: 3505600 143.373 -14.4916 -125.638 -28.6301 50.2581 -12.2726 -55.0323 -64.5034 252.593 PRESSAVG: 3505600 -36.4285 -37.2718 41.5404 -37.2718 -0.286217 23.7228 41.5404 23.7228 15.0921 GPRESSAVG: 3505600 -37.386 -38.1004 41.5429 -36.1792 -0.278808 25.7849 39.9311 22.5162 16.1273 TIMING: 3505600 CPU: 10178.6, 0.00293089/step Wall: 10178.6, 0.00293089/step, 1.21664 hours remaining, 207.230469 MB of memory in use. ENERGY: 3505600 712.8208 2112.6234 1960.0196 106.2048 -206754.2280 18237.1205 0.0000 0.0000 34436.8652 -149188.5736 300.7457 -183625.4388 -149101.5996 298.9721 117.7122 148.7413 557633.7338 -7.2075 -7.1792 PRESSURE: 3505800 -105.212 38.9082 136.903 38.907 -130.291 105.183 136.903 105.183 -54.1182 GPRESSURE: 3505800 1.97983 -13.091 148.438 -35.9511 -128.679 68.6236 125.524 222.43 -59.3712 PRESSAVG: 3505800 -50.9736 -7.37898 3.89709 -7.37911 -15.3601 -45.602 3.89717 -45.602 24.1487 GPRESSAVG: 3505800 -50.6857 -6.53239 4.20827 -8.24349 -15.8561 -46.0874 3.95824 -43.6632 24.4513 TIMING: 3505800 CPU: 10179.2, 0.00294498/step Wall: 10179.2, 0.00294498/step, 1.22233 hours remaining, 207.230469 MB of memory in use. ENERGY: 3505800 800.5975 2127.2135 1954.6961 101.1521 -206600.3158 17864.0946 0.0000 0.0000 34531.7153 -149220.8467 301.5741 -183752.5620 -149120.6359 299.2496 -96.5404 -62.0233 557176.7815 -14.0617 -14.0302 PRESSURE: 3506000 -51.2062 13.7436 -5.24479 13.7432 -185.657 -75.4253 -5.24469 -75.4244 263.003 GPRESSURE: 3506000 -1.51267 -75.7896 -109.35 21.7018 -163.589 -83.2512 49.8341 -60.7326 265.654 PRESSAVG: 3506000 -41.2348 19.1075 56.0979 19.1075 11.9158 7.9575 56.0979 7.95747 50.5882 GPRESSAVG: 3506000 -40.581 18.7028 54.3105 19.6083 12.6732 7.33722 58.0432 9.19946 49.7028 TIMING: 3506000 CPU: 10179.8, 0.00292007/step Wall: 10179.8, 0.00292007/step, 1.21183 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3506000 745.3587 2184.4625 1965.3933 113.9741 -206365.2163 17862.6089 0.0000 0.0000 34194.8779 -149298.5409 298.6324 -183493.4188 -149199.5805 298.9946 8.7130 33.5173 557298.0763 7.0898 7.2650 PRESSURE: 3506200 137.141 1.08736 23.5917 1.08606 171.282 7.74806 23.5904 7.74896 -114.44 GPRESSURE: 3506200 182.067 -101.738 37.4019 -0.892092 246.589 -3.37854 13.8009 63.817 -129.701 PRESSAVG: 3506200 -37.0794 8.11905 32.1256 8.11905 -47.0393 -19.9699 32.1255 -19.9699 67.5664 GPRESSAVG: 3506200 -37.7747 8.24515 31.5133 7.53218 -46.1935 -18.4365 32.2345 -20.7261 67.4261 TIMING: 3506200 CPU: 10180.4, 0.00290149/step Wall: 10180.4, 0.0029015/step, 1.20396 hours remaining, 207.230469 MB of memory in use. ENERGY: 3506200 739.6147 2151.1299 1962.4331 121.7075 -206120.4040 17732.2450 0.0000 0.0000 34277.3978 -149135.8760 299.3530 -183413.2738 -149041.4753 299.6300 64.6609 99.6513 556119.8596 -5.5175 -5.5140 PRESSURE: 3506400 71.6484 -8.50195 185.75 -8.5016 71.2782 -10.1782 185.749 -10.1781 -97.3561 GPRESSURE: 3506400 43.42 -64.6145 205.147 -16.9629 136.608 108.448 137.339 -16.2513 -39.9598 PRESSAVG: 3506400 -17.7155 35.9285 -9.06185 35.9285 -5.96428 56.834 -9.06196 56.8341 36.5431 GPRESSAVG: 3506400 -18.6234 35.7085 -6.91361 37.3568 -5.18291 55.259 -12.6825 56.9073 36.4534 TIMING: 3506400 CPU: 10181, 0.00292787/step Wall: 10181, 0.00292787/step, 1.21474 hours remaining, 207.230469 MB of memory in use. ENERGY: 3506400 745.0530 2115.3275 1963.5131 102.2476 -206031.1595 17692.7379 0.0000 0.0000 34453.4275 -148958.8529 300.8904 -183412.2804 -148857.5989 300.3221 15.1902 46.6893 556067.6712 4.2878 4.2157 PRESSURE: 3506600 183.296 -133.093 -21.7861 -133.092 -202.874 -282.496 -21.7867 -282.496 15.5547 GPRESSURE: 3506600 203.836 -184.547 -60.2804 -141.471 -135.645 -242.464 17.2651 -250.063 30.823 PRESSAVG: 3506600 62.2118 -21.1347 41.7579 -21.1346 -21.3562 2.53133 41.758 2.53139 -1.54367 GPRESSAVG: 3506600 63.6145 -19.8558 43.6481 -21.8907 -22.1453 4.37638 43.0642 -0.702371 -1.88357 TIMING: 3506600 CPU: 10181.6, 0.00292146/step Wall: 10181.6, 0.00292146/step, 1.21192 hours remaining, 207.230469 MB of memory in use. ENERGY: 3506600 744.0500 2139.3036 1993.1683 133.7517 -206422.1034 17890.0100 0.0000 0.0000 34414.2179 -149107.6019 300.5479 -183521.8198 -149011.2898 300.0203 -1.3412 33.0046 556636.5663 13.1040 13.1952 PRESSURE: 3506800 182.228 -23.9324 60.4323 -23.9322 -20.8383 -97.4711 60.4332 -97.4695 -53.7457 GPRESSURE: 3506800 214.134 -55.7007 -5.12164 3.55584 -2.43654 -94.9752 23.0832 -148.008 -2.78978 PRESSAVG: 3506800 67.4095 14.9486 -7.75017 14.9486 -38.082 -19.1823 -7.75025 -19.1823 -13.2077 GPRESSAVG: 3506800 67.0214 14.0936 -12.1333 17.0454 -37.7034 -19.6343 -5.30084 -15.7239 -13.246 TIMING: 3506800 CPU: 10182.1, 0.00291596/step Wall: 10182.1, 0.00291596/step, 1.20947 hours remaining, 207.230469 MB of memory in use. ENERGY: 3506800 737.3922 2165.6217 1978.4026 115.5228 -206036.9327 17732.1197 0.0000 0.0000 34217.2192 -149090.6546 298.8275 -183307.8738 -148989.8124 299.3278 35.8813 69.6360 556370.6625 5.3733 5.3573 PRESSURE: 3507000 -151.44 54.4439 172.651 54.4443 299.725 -30.8111 172.652 -30.8123 127.022 GPRESSURE: 3507000 -123.43 -23.0607 156.081 56.9591 346.89 -33.5521 201.67 -19.5963 151.657 PRESSAVG: 3507000 -21.8258 -45.1025 13.411 -45.1025 8.72837 -28.6853 13.4111 -28.6856 -19.9633 GPRESSAVG: 3507000 -20.8325 -44.3074 15.6929 -48.241 7.91927 -27.1329 11.7786 -31.9959 -19.9663 TIMING: 3507000 CPU: 10182.7, 0.00297177/step Wall: 10182.7, 0.00297177/step, 1.23246 hours remaining, 207.230469 MB of memory in use. ENERGY: 3507000 723.5483 2228.4892 1963.7542 114.1428 -206314.1877 17846.1839 0.0000 0.0000 34479.6911 -148958.3783 301.1197 -183438.0693 -148858.9447 299.5694 91.7692 125.0391 556674.2056 -11.0203 -10.9598 PRESSURE: 3507200 -174.37 34.715 79.5928 34.716 -47.9804 162.404 79.5928 162.404 -289.371 GPRESSURE: 3507200 -201.286 16.9603 49.5367 90.1291 4.69293 180.425 89.0633 136.355 -217.421 PRESSAVG: 3507200 -80.8438 30.9529 37.1186 30.9529 41.9163 -51.5469 37.1186 -51.5468 66.6832 GPRESSAVG: 3507200 -81.1877 29.9673 36.4478 31.3021 42.009 -53.5776 37.5867 -49.1654 67.5502 TIMING: 3507200 CPU: 10183.3, 0.00297492/step Wall: 10183.3, 0.00297492/step, 1.2336 hours remaining, 207.230469 MB of memory in use. ENERGY: 3507200 784.8125 2132.3275 1959.6304 127.0756 -205513.8989 17399.8522 0.0000 0.0000 34216.0553 -148894.1453 298.8173 -183110.2007 -148795.9293 299.7530 -170.5739 -138.0050 558169.3012 9.2519 9.4572 PRESSURE: 3507400 -171.513 122.222 109.121 122.22 -19.1969 -73.1573 109.122 -73.1577 -52.3623 GPRESSURE: 3507400 -93.278 179.881 36.9823 56.1176 -61.9508 -37.0425 117.57 -120.341 -4.56603 PRESSAVG: 3507400 -19.4733 0.0673752 44.7811 0.0673096 5.52733 -12.0574 44.7811 -12.0576 -7.99891 GPRESSAVG: 3507400 -19.9326 2.04329 43.035 -1.77214 5.72587 -11.015 44.7532 -12.5525 -7.72196 TIMING: 3507400 CPU: 10183.9, 0.00297913/step Wall: 10183.9, 0.00297913/step, 1.23518 hours remaining, 207.230469 MB of memory in use. ENERGY: 3507400 734.3876 2077.3509 1949.3334 115.7676 -205504.6857 17514.9210 0.0000 0.0000 34197.1580 -148915.7671 298.6523 -183112.9251 -148822.6115 300.0501 -81.0240 -53.2649 559235.8154 -7.3150 -7.3096 PRESSURE: 3507600 -101.56 -77.2173 -44.2143 -77.2167 45.255 -56.9281 -44.2139 -56.9306 -22.3032 GPRESSURE: 3507600 -72.9554 -45.5638 -26.9122 -122.162 76.6745 -34.4345 -75.6372 -52.1837 17.2684 PRESSAVG: 3507600 -11.9545 14.9198 3.17642 14.9198 43.1578 -58.0171 3.17638 -58.0171 -27.6312 GPRESSAVG: 3507600 -10.9903 13.3179 5.05733 16.964 42.9386 -58.884 2.28494 -56.6323 -28.1759 TIMING: 3507600 CPU: 10184.5, 0.00296352/step Wall: 10184.5, 0.00296352/step, 1.22854 hours remaining, 207.230469 MB of memory in use. ENERGY: 3507600 728.3315 2111.2168 1998.2166 121.6599 -206134.0849 17769.5292 0.0000 0.0000 34361.7850 -149043.3458 300.0900 -183405.1308 -148943.2453 299.7869 -26.2027 6.9958 557947.7938 1.1907 1.2574 PRESSURE: 3507800 -75.6837 -170.814 24.3034 -170.816 48.0883 -64.1573 24.3031 -64.1577 -99.8387 GPRESSURE: 3507800 -54.3684 -180.803 -9.83209 -242.82 78.4607 -82.4276 49.3987 11.017 -58.9822 PRESSAVG: 3507800 -9.33929 28.8874 33.7556 28.8874 -67.138 -14.6967 33.7557 -14.6966 46.4272 GPRESSAVG: 3507800 -9.2277 27.3606 35.9971 28.4481 -68.4722 -15.1362 30.7817 -14.5261 47.294 TIMING: 3507800 CPU: 10185.1, 0.00293835/step Wall: 10185.1, 0.00293835/step, 1.21795 hours remaining, 207.230469 MB of memory in use. ENERGY: 3507800 738.2568 2080.1319 1959.8672 118.2595 -206064.9526 17801.0859 0.0000 0.0000 34069.1948 -149298.1565 297.5348 -183367.3513 -149198.3462 298.7518 -42.4780 -11.6300 557865.2967 -10.0167 -10.1353 PRESSURE: 3508000 3.41929 172.119 111.572 172.119 9.40051 31.3589 111.571 31.3582 -109.133 GPRESSURE: 3508000 95.6923 130.135 -42.2798 208.878 -2.32719 55.5333 170.67 -47.6446 -76.7341 PRESSAVG: 3508000 39.0335 -18.4763 28.6419 -18.4763 35.1821 67.5001 28.6419 67.5001 -50.8408 GPRESSAVG: 3508000 39.4945 -16.8954 27.1593 -17.2497 35.7721 69.0071 31.116 65.1763 -51.8321 TIMING: 3508000 CPU: 10185.7, 0.00296273/step Wall: 10185.7, 0.00296273/step, 1.22789 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3508000 737.6102 2074.5051 1970.9513 123.8206 -206103.7627 17702.8089 0.0000 0.0000 34288.1686 -149205.8979 299.4471 -183494.0666 -149102.7748 298.9413 -32.1042 5.5437 557484.2146 7.7916 7.8115 PRESSURE: 3508200 10.8891 64.2418 -2.86474 64.2426 405.464 84.2732 -2.86418 84.2751 -91.5268 GPRESSURE: 3508200 47.6555 144.165 -98.9533 13.2118 429.701 180.09 2.78935 56.5343 -44.4124 PRESSAVG: 3508200 -20.7546 28.0031 -9.28543 28.003 -34.0461 29.9901 -9.28544 29.9902 -17.7137 GPRESSAVG: 3508200 -21.502 30.5333 -11.0839 27.2915 -33.4177 30.0836 -8.75372 32.4099 -17.7138 TIMING: 3508200 CPU: 10186.3, 0.00292664/step Wall: 10186.3, 0.00292664/step, 1.21277 hours remaining, 207.230469 MB of memory in use. ENERGY: 3508200 747.4944 2055.6873 1947.5318 117.2527 -206341.1793 17981.6040 0.0000 0.0000 34272.4974 -149219.1117 299.3102 -183491.6091 -149120.0871 299.3587 108.2754 144.3147 557711.6759 -24.1715 -24.2112 LDB: ============= START OF LOAD BALANCING ============== 10189.7 LDB: ============== END OF LOAD BALANCING =============== 10189.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10189.7 LDB: ============= START OF LOAD BALANCING ============== 10190 LDB: Largest compute 4820 load 0.032765 is 27.8% of average load 0.117871 LDB: Average compute 0.001717 is 1.5% of average load 0.117871 LDB: TIME 10190 LOAD: AVG 0.117871 MAX 0.179305 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 10190 LOAD: AVG 0.117871 MAX 0.179305 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: TIME 10190 LOAD: AVG 0.117871 MAX 0.179305 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: ============== END OF LOAD BALANCING =============== 10190 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10190 PRESSURE: 3508400 8.07447 -16.6257 -12.2682 -16.6239 15.0376 40.3843 -12.267 40.3833 -215.268 GPRESSURE: 3508400 54.5703 -52.8941 -24.7534 4.46644 4.06123 29.5572 -26.5147 134.275 -156.071 PRESSAVG: 3508400 -17.6407 11.6398 -51.4901 11.6398 88.9947 -7.81578 -51.49 -7.81575 -46.9763 GPRESSAVG: 3508400 -17.9506 9.17129 -47.8776 11.415 88.5739 -8.10928 -52.7792 -8.98076 -46.0361 TIMING: 3508400 CPU: 10186.9, 0.00296938/step Wall: 10186.9, 0.00296938/step, 1.23031 hours remaining, 207.425781 MB of memory in use. ENERGY: 3508400 792.2239 2066.3246 1946.4875 114.4247 -206250.4301 17859.9268 0.0000 0.0000 34383.0508 -149087.9917 300.2757 -183471.0426 -148998.6006 299.4525 -64.0519 -32.4799 558857.0607 8.1259 8.1957 PRESSURE: 3508600 3.60073 93.4739 -81.3387 93.4732 -134.667 -10.4932 -81.3393 -10.4925 -55.6742 GPRESSURE: 3508600 15.728 144.311 -122.198 30.286 -75.2804 -20.5106 28.4388 19.6898 -23.9816 PRESSAVG: 3508600 37.0669 23.0599 -84.775 23.06 -17.2569 -16.8885 -84.775 -16.8884 12.8178 GPRESSAVG: 3508600 37.206 23.3362 -86.1644 22.3755 -17.2008 -15.9214 -83.0345 -17.3514 12.6553 TIMING: 3508600 CPU: 10187.5, 0.00293942/step Wall: 10187.5, 0.00293942/step, 1.21774 hours remaining, 207.683594 MB of memory in use. ENERGY: 3508600 757.5780 2106.2684 1944.8808 105.9037 -206046.6032 17675.9117 0.0000 0.0000 34322.3997 -149133.6610 299.7461 -183456.0607 -149034.3643 299.7233 -62.2469 -27.8447 557954.8573 10.8760 10.8868 PRESSURE: 3508800 134.066 101.34 18.1284 101.339 6.51103 -20.6507 18.1287 -20.6512 36.3517 GPRESSURE: 3508800 121.191 113.686 2.43081 69.261 29.1943 -67.9598 -13.6227 -3.79805 122.48 PRESSAVG: 3508800 5.15218 41.0834 -5.70442 41.0833 -11.8509 54.3526 -5.70447 54.3528 19.9044 GPRESSAVG: 3508800 5.41112 41.404 -4.52077 42.1959 -12.1153 54.5835 -5.15686 54.4888 19.9481 TIMING: 3508800 CPU: 10188.1, 0.00298382/step Wall: 10188.1, 0.00298382/step, 1.23596 hours remaining, 207.742188 MB of memory in use. ENERGY: 3508800 738.7528 2090.7249 1956.3698 110.1231 -205983.2186 17740.2277 0.0000 0.0000 34314.2795 -149032.7407 299.6751 -183347.0202 -148926.5088 299.3675 58.9762 90.9551 556425.4057 4.4019 4.4146 PRESSURE: 3509000 -217.27 35.767 93.3434 35.7672 -41.9307 66.1851 93.343 66.1849 -179.089 GPRESSURE: 3509000 -188.1 54.9194 149.272 48.168 27.7078 61.645 76.0936 2.01444 -196.539 PRESSAVG: 3509000 -23.8733 64.0508 17.3446 64.0508 17.3431 26.79 17.3446 26.7899 31.2561 GPRESSAVG: 3509000 -24.3391 67.1771 17.1415 62.2678 19.6285 26.8556 13.8715 27.7542 30.1767 TIMING: 3509000 CPU: 10188.7, 0.00296685/step Wall: 10188.7, 0.00296685/step, 1.22877 hours remaining, 207.753906 MB of memory in use. ENERGY: 3509000 743.3325 2100.8497 1965.4148 114.8739 -205415.4390 17317.4560 0.0000 0.0000 34344.4836 -148829.0284 299.9389 -183173.5121 -148729.7542 300.1598 -146.0967 -118.9769 556316.6904 8.2420 8.4887 PRESSURE: 3509200 -73.8214 -5.70316 14.7006 -5.70329 43.7069 -33.7342 14.7004 -33.7341 -180.427 GPRESSURE: 3509200 -18.4036 -65.0531 -43.8568 57.5158 131.598 28.8197 66.3617 21.9841 -221.389 PRESSAVG: 3509200 -34.6552 5.12997 34.3651 5.12983 47.4575 16.0001 34.3652 16.0002 -45.8698 GPRESSAVG: 3509200 -34.547 1.83183 33.7519 6.66798 46.6233 15.2349 34.1878 14.4242 -45.5107 TIMING: 3509200 CPU: 10189.2, 0.00294181/step Wall: 10189.2, 0.00294181/step, 1.21824 hours remaining, 207.753906 MB of memory in use. ENERGY: 3509200 731.3356 2122.6249 1918.3660 111.1268 -206008.8500 17810.8889 0.0000 0.0000 34489.7513 -148824.7565 301.2076 -183314.5079 -148728.1061 300.2228 -70.1806 -36.0650 556696.6128 -11.0225 -11.1448 PRESSURE: 3509400 -124.207 70.0659 3.54231 70.0664 -131.188 30.9747 3.54269 30.974 -371.324 GPRESSURE: 3509400 -98.8006 88.3016 -52.6215 -21.4132 -62.5251 23.7763 107.545 -33.7174 -363.552 PRESSAVG: 3509400 -3.07777 -21.9651 -12.6213 -21.965 69.7193 -25.337 -12.6214 -25.337 -101.804 GPRESSAVG: 3509400 -3.23149 -22.5142 -12.6098 -21.3705 69.3338 -26.1148 -9.99155 -22.9144 -101.176 TIMING: 3509400 CPU: 10189.8, 0.00293843/step Wall: 10189.8, 0.00293843/step, 1.21667 hours remaining, 207.753906 MB of memory in use. ENERGY: 3509400 757.6101 2143.5349 1964.6642 99.6002 -205526.5658 17306.9736 0.0000 0.0000 34491.0098 -148763.1731 301.2186 -183254.1829 -148668.9141 300.1715 -208.9065 -174.9594 557266.2465 -11.7208 -11.6912 PRESSURE: 3509600 -79.9914 75.6478 38.4781 75.6474 49.779 -136.813 38.4785 -136.813 -98.061 GPRESSURE: 3509600 -73.8608 103.951 129.158 112.41 78.4819 -153.785 -19.1194 -198.548 -41.8429 PRESSAVG: 3509600 30.7885 -39.4657 -5.37081 -39.4657 42.7538 -16.3794 -5.37081 -16.3794 -31.1687 GPRESSAVG: 3509600 30.568 -38.3061 -3.75759 -39.7035 42.206 -18.5479 -8.4898 -18.0557 -30.3763 TIMING: 3509600 CPU: 10190.4, 0.00295016/step Wall: 10190.4, 0.00295016/step, 1.22137 hours remaining, 207.753906 MB of memory in use. ENERGY: 3509600 755.1814 2109.0607 1972.4026 113.2058 -205913.3514 17857.0200 0.0000 0.0000 34390.5968 -148715.8840 300.3416 -183106.4808 -148624.3391 300.2078 -42.7578 -12.4073 557987.4292 14.1245 14.1326 PRESSURE: 3509800 -56.3439 -10.5728 59.8704 -10.5734 38.8232 -27.5331 59.8694 -27.5331 39.463 GPRESSURE: 3509800 3.47043 -11.2684 84.4164 -78.0942 28.4421 -74.5585 -1.46085 51.8918 89.0871 PRESSAVG: 3509800 -55.3044 -15.7202 -64.1958 -15.7201 11.3585 -53.8677 -64.1958 -53.8678 15.7729 GPRESSAVG: 3509800 -54.4194 -15.2775 -66.9387 -17.7723 11.5799 -50.9391 -60.3875 -54.662 14.9465 TIMING: 3509800 CPU: 10191, 0.0029444/step Wall: 10191, 0.0029444/step, 1.21882 hours remaining, 207.753906 MB of memory in use. ENERGY: 3509800 745.6478 2084.7629 1997.2078 101.5324 -205685.9221 17730.6453 0.0000 0.0000 34361.8270 -148664.2988 300.0904 -183026.1258 -148569.4774 300.0558 7.3141 40.3332 558180.1503 -9.3910 -9.2977 PRESSURE: 3510000 64.8614 136.658 18.0887 136.657 -162.171 -65.6713 18.0898 -65.6726 -93.7241 GPRESSURE: 3510000 70.7912 84.9768 84.7068 100.2 -160.319 -40.6708 11.817 -89.3891 -10.3914 PRESSAVG: 3510000 -30.0256 -46.9017 -25.4955 -46.9017 32.4438 -14.0178 -25.4955 -14.0177 13.6064 GPRESSAVG: 3510000 -31.6564 -48.7155 -25.5229 -47.2805 33.6062 -14.5515 -26.8174 -12.9749 13.5888 TIMING: 3510000 CPU: 10191.6, 0.00298011/step Wall: 10191.6, 0.00298011/step, 1.23344 hours remaining, 207.753906 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: 3510000 746.5826 2170.2120 1982.4486 120.2053 -206009.3054 17705.0985 0.0000 0.0000 34424.1997 -148860.5588 300.6351 -183284.7585 -148759.6472 300.9326 -63.6779 -33.3064 558217.3937 5.3416 5.1795 PRESSURE: 3510200 113.667 66.3644 7.32451 66.3641 396.308 -130.342 7.32393 -130.341 286.284 GPRESSURE: 3510200 168.091 59.2532 -0.264105 105.096 409.239 -46.8769 -48.9073 -73.1959 318.52 PRESSAVG: 3510200 24.0069 13.1323 32.3814 13.1324 -14.1663 -34.4748 32.3815 -34.4749 -40.2275 GPRESSAVG: 3510200 25.4804 15.1411 32.1214 15.4241 -16.5593 -35.2721 33.1917 -36.1503 -39.4427 TIMING: 3510200 CPU: 10192.2, 0.00296423/step Wall: 10192.2, 0.00296423/step, 1.2267 hours remaining, 207.753906 MB of memory in use. ENERGY: 3510200 735.6706 2148.3905 1977.0520 107.1158 -206163.1737 17954.9125 0.0000 0.0000 34387.3123 -148852.7200 300.3130 -183240.0323 -148752.6233 300.0843 265.4196 298.6165 554906.8569 -10.1290 -10.1739 PRESSURE: 3510400 -8.04636 147.572 19.6002 147.572 2.9258 48.5083 19.6002 48.5081 -37.5224 GPRESSURE: 3510400 59.9383 235.303 -20.7388 175.726 23.3762 130.378 52.6913 46.7212 -26.3849 PRESSAVG: 3510400 12.0708 69.6194 42.6705 69.6194 -4.39317 -35.1908 42.6707 -35.1908 -0.240741 GPRESSAVG: 3510400 12.7861 67.5274 43.0277 69.8703 -3.47111 -34.5848 41.0016 -32.8416 -1.94255 TIMING: 3510400 CPU: 10192.8, 0.00294833/step Wall: 10192.8, 0.00294833/step, 1.21995 hours remaining, 207.753906 MB of memory in use. ENERGY: 3510400 793.7423 2132.3725 1961.5490 114.8715 -205913.1575 17833.6797 0.0000 0.0000 34252.4483 -148824.4943 299.1352 -183076.9426 -148731.0096 300.0050 -14.2143 18.9765 557347.5332 2.4790 2.4575 PRESSURE: 3510600 43.4089 -108.84 5.90293 -108.84 -6.67025 80.2285 5.90307 80.229 27.4155 GPRESSURE: 3510600 68.7342 -127.91 2.47984 -144.483 58.1393 81.3246 -52.5733 -13.5967 23.7689 PRESSAVG: 3510600 -34.5262 25.2874 34.5607 25.2873 -12.319 62.1154 34.5607 62.1154 11.8475 GPRESSAVG: 3510600 -36.4048 22.0041 35.7922 27.528 -11.7036 61.678 36.177 61.388 13.1372 TIMING: 3510600 CPU: 10193.4, 0.00296345/step Wall: 10193.4, 0.00296345/step, 1.22604 hours remaining, 207.753906 MB of memory in use. ENERGY: 3510600 716.8229 2144.2064 1989.5302 131.2836 -205993.4074 17720.9189 0.0000 0.0000 34438.7529 -148851.8925 300.7622 -183290.6454 -148751.0760 299.6256 21.3847 50.2141 557217.2800 -11.6659 -11.6571 PRESSURE: 3510800 74.7152 -20.0774 39.3193 -20.0768 287.8 -105.801 39.3193 -105.803 135.866 GPRESSURE: 3510800 125.27 -23.8001 82.8221 32.7741 280.824 -111.24 -8.11273 -120.249 186.216 PRESSAVG: 3510800 -50.3736 36.0779 -1.54865 36.078 12.5689 -21.7882 -1.5485 -21.7882 24.9433 GPRESSAVG: 3510800 -48.6175 40.1715 -1.63672 34.5642 11.2305 -19.5111 -3.78259 -22.133 24.9686 TIMING: 3510800 CPU: 10194, 0.00296505/step Wall: 10194, 0.00296505/step, 1.22654 hours remaining, 207.753906 MB of memory in use. ENERGY: 3510800 724.5130 2128.3864 1994.2497 117.7837 -206007.8665 17962.4964 0.0000 0.0000 34059.1489 -149021.2884 297.4470 -183080.4372 -148923.6899 300.2701 166.1270 197.4365 556992.2712 -4.2871 -4.1395 PRESSURE: 3511000 -156.276 -111.321 -158.391 -111.321 117.098 211.082 -158.392 211.08 262.511 GPRESSURE: 3511000 -97.0395 -134.315 -153.128 -91.9583 99.9043 283.093 -224.222 132.806 295.809 PRESSAVG: 3511000 1.57003 -19.7787 17.0445 -19.7787 4.40399 -3.82389 17.0444 -3.82393 23.6185 GPRESSAVG: 3511000 1.26855 -18.5519 14.9051 -20.4042 4.87317 -6.38288 19.8933 -2.94561 23.0976 TIMING: 3511000 CPU: 10194.6, 0.00294335/step Wall: 10194.6, 0.00294335/step, 1.2174 hours remaining, 207.753906 MB of memory in use. ENERGY: 3511000 788.6063 2072.1890 1968.5192 105.0871 -206341.4951 17912.2574 0.0000 0.0000 34536.7101 -148958.1261 301.6177 -183494.8362 -148853.9883 299.6213 74.4440 99.5580 557092.0995 9.8642 9.7464 PRESSURE: 3511200 -83.4293 221.248 137.066 221.248 46.4518 1.57514 137.067 1.57501 62.2214 GPRESSURE: 3511200 10.7142 168.11 177.742 240.871 28.5805 107.196 114.448 -56.432 80.864 PRESSAVG: 3511200 16.5688 0.0700256 39.1869 0.0700443 -17.6461 8.46063 39.1869 8.46078 -23.7347 GPRESSAVG: 3511200 15.5606 -2.07534 40.5101 -0.397233 -17.7407 8.13699 38.3471 8.84984 -22.9483 TIMING: 3511200 CPU: 10195.1, 0.00292317/step Wall: 10195.1, 0.00292317/step, 1.20889 hours remaining, 207.753906 MB of memory in use. ENERGY: 3511200 718.3082 2138.5001 1967.7692 104.1994 -206317.9099 17847.5709 0.0000 0.0000 34550.1100 -148991.4521 301.7347 -183541.5621 -148901.5610 300.2454 8.4147 40.0529 557173.2375 -8.2707 -8.3761 PRESSURE: 3511400 -194.286 23.4616 104.507 23.4624 -107.356 -64.8664 104.508 -64.8672 -67.7658 GPRESSURE: 3511400 -157.329 66.7636 101.226 -26.8931 -34.8861 -52.3917 99.0717 -169.365 -85.6367 PRESSAVG: 3511400 61.3431 -14.5698 -33.5917 -14.5697 15.627 50.8944 -33.5916 50.8944 -49.6838 GPRESSAVG: 3511400 61.3851 -14.4853 -32.1553 -15.8226 14.8395 54.3052 -34.7869 45.966 -49.7329 TIMING: 3511400 CPU: 10195.7, 0.00292092/step Wall: 10195.7, 0.00292092/step, 1.2078 hours remaining, 207.753906 MB of memory in use. ENERGY: 3511400 757.7749 2064.4248 1931.3353 108.1836 -205578.2101 17483.7350 0.0000 0.0000 34373.2841 -148859.4723 300.1904 -183232.7564 -148764.4938 300.3836 -123.1359 -92.6173 558183.0235 9.0954 8.8306 PRESSURE: 3511600 181.15 -24.6748 172.923 -24.6753 47.268 25.4503 172.924 25.4489 118.07 GPRESSURE: 3511600 220.058 -54.6002 136.492 -7.14872 73.4718 -42.0309 251.693 68.0258 136.764 PRESSAVG: 3511600 -16.0722 5.29109 20.1618 5.29115 8.0055 42.4053 20.1619 42.4053 -0.883082 GPRESSAVG: 3511600 -17.2156 6.26041 21.1585 4.56766 8.33837 39.3553 20.6584 45.6676 -0.320911 TIMING: 3511600 CPU: 10196.3, 0.00291843/step Wall: 10196.3, 0.00291843/step, 1.20661 hours remaining, 207.753906 MB of memory in use. ENERGY: 3511600 758.1449 2077.2405 1948.0954 99.8427 -205936.6796 17903.5693 0.0000 0.0000 34309.8001 -148839.9867 299.6360 -183149.7868 -148740.3944 300.6432 115.4961 143.4313 556428.4199 -2.9833 -3.0660 PRESSURE: 3511800 -167.199 -46.6059 -62.9111 -46.6056 -58.5134 -103.866 -62.912 -103.868 -45.9082 GPRESSURE: 3511800 -100.08 -64.3578 -43.3921 -7.73457 -91.4695 -109.72 -27.2828 -63.9523 25.841 PRESSAVG: 3511800 27.2753 48.7061 -24.7788 48.7061 3.61547 -2.15584 -24.7788 -2.15586 24.6689 GPRESSAVG: 3511800 27.4935 46.2935 -25.3046 51.2639 3.0713 -0.984528 -23.8081 -2.05105 24.6075 TIMING: 3511800 CPU: 10196.9, 0.00293686/step Wall: 10196.9, 0.00293686/step, 1.21407 hours remaining, 207.753906 MB of memory in use. ENERGY: 3511800 737.9429 2059.0218 1968.0006 111.6304 -205792.0855 17578.6002 0.0000 0.0000 34509.9910 -148826.8986 301.3843 -183336.8895 -148730.8483 301.0875 -90.5402 -55.2361 557178.9941 18.5199 18.3908 PRESSURE: 3512000 -58.5754 -75.8298 -87.3448 -75.8293 143.778 205.859 -87.3448 205.859 -26.9959 GPRESSURE: 3512000 -21.9601 -127.354 -81.8361 -20.6032 200.694 213.233 -96.1893 192.525 -18.6686 PRESSAVG: 3512000 -39.7205 -8.41728 -41.9815 -8.41731 -18.099 45.0083 -41.9817 45.0084 20.0496 GPRESSAVG: 3512000 -39.5668 -6.71397 -42.9146 -7.45723 -17.6231 44.5542 -42.1202 44.9509 18.9478 TIMING: 3512000 CPU: 10197.5, 0.00290655/step Wall: 10197.5, 0.00290655/step, 1.20137 hours remaining, 207.753906 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: 3512000 735.6223 2097.7067 1962.5783 110.1659 -206537.5049 18046.4630 0.0000 0.0000 34586.0831 -148998.8854 302.0489 -183584.9686 -148906.2904 300.2792 19.4022 53.3552 558098.0666 -12.5900 -12.7474 PRESSURE: 3512200 193.356 25.5443 31.9571 25.5436 62.3758 -40.115 31.9562 -40.1144 -107.146 GPRESSURE: 3512200 220.13 68.5213 33.3858 5.96998 75.1345 -76.1009 -13.2489 -100.098 -45.1818 PRESSAVG: 3512200 10.4994 19.5522 22.349 19.5523 -7.19176 24 22.349 24 12.6122 GPRESSAVG: 3512200 10.6955 20.0236 22.342 18.224 -7.03652 23.4436 21.9943 25.702 13.2905 TIMING: 3512200 CPU: 10198.1, 0.00295126/step Wall: 10198.1, 0.00295126/step, 1.21969 hours remaining, 207.753906 MB of memory in use. ENERGY: 3512200 702.4160 2102.1005 1939.9565 106.0869 -205991.6210 17829.1433 0.0000 0.0000 34312.6520 -148999.2658 299.6609 -183311.9178 -148910.4382 300.3827 49.5286 83.3610 558079.7822 5.3066 5.6498 LDB: ============= START OF LOAD BALANCING ============== 10201.5 LDB: ============== END OF LOAD BALANCING =============== 10201.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10201.5 LDB: ============= START OF LOAD BALANCING ============== 10201.8 LDB: Largest compute 4820 load 0.033519 is 28.4% of average load 0.117834 LDB: Average compute 0.001726 is 1.5% of average load 0.117834 LDB: TIME 10201.8 LOAD: AVG 0.117834 MAX 0.176734 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 10201.8 LOAD: AVG 0.117834 MAX 0.176734 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.367 MB LDB: TIME 10201.8 LOAD: AVG 0.117834 MAX 0.176734 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.367 MB LDB: ============== END OF LOAD BALANCING =============== 10201.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10201.8 PRESSURE: 3512400 -145.357 -131.563 -76.6348 -131.562 -285.517 -55.6705 -76.6346 -55.6722 -316.209 GPRESSURE: 3512400 -118.102 -100.661 -66.1647 -179.955 -239.73 -24.8278 -41.5318 -89.0939 -296.656 PRESSAVG: 3512400 32.9037 -32.7325 -40.9579 -32.7325 4.60779 -29.4366 -40.9579 -29.4365 -12.1699 GPRESSAVG: 3512400 33.1054 -32.4676 -41.4733 -32.8279 4.25321 -29.4628 -39.9487 -31.0849 -12.3158 TIMING: 3512400 CPU: 10198.7, 0.0029889/step Wall: 10198.7, 0.0029889/step, 1.23508 hours remaining, 207.414062 MB of memory in use. ENERGY: 3512400 737.2681 2053.3805 1993.4993 110.2917 -205529.9499 17405.0245 0.0000 0.0000 34297.2855 -148933.2003 299.5267 -183230.4858 -148844.1333 299.4129 -249.0276 -218.1625 558591.6270 8.4472 8.3476 PRESSURE: 3512600 267.194 -66.3318 -110.928 -66.3333 106.866 -109.526 -110.926 -109.526 63.0992 GPRESSURE: 3512600 297.872 -48.2301 -39.2164 -137.703 127.444 -114.424 -190.653 -69.6871 102.687 PRESSAVG: 3512600 20.0324 -26.1822 -32.5931 -26.1823 62.7437 -33.1674 -32.5931 -33.1674 -67.4888 GPRESSAVG: 3512600 20.1426 -24.8562 -31.4256 -27.9005 62.9668 -32.9146 -32.9627 -32.5542 -67.5687 TIMING: 3512600 CPU: 10199.3, 0.00294877/step Wall: 10199.3, 0.00294877/step, 1.21833 hours remaining, 207.644531 MB of memory in use. ENERGY: 3512600 757.2270 2125.3771 1943.6671 116.3244 -206101.0867 17921.8625 0.0000 0.0000 34461.8607 -148774.7680 300.9640 -183236.6287 -148677.3184 300.2821 145.7198 176.0006 555711.4873 5.0957 5.1802 PRESSURE: 3512800 -174.304 -140.129 -139.555 -140.129 -180.51 82.0857 -139.556 82.0859 95.3171 GPRESSURE: 3512800 -159.606 -166.088 -109.333 -140.114 -116.007 159.169 -152.99 11.3786 112.516 PRESSAVG: 3512800 8.34449 -79.4757 -12.4667 -79.4757 35.9921 24.6917 -12.4667 24.6918 -4.70464 GPRESSAVG: 3512800 6.87427 -82.0358 -13.7568 -76.9128 37.0339 25.1816 -14.3732 23.5723 -4.019 TIMING: 3512800 CPU: 10199.8, 0.00290938/step Wall: 10199.8, 0.00290938/step, 1.2019 hours remaining, 207.644531 MB of memory in use. ENERGY: 3512800 772.6235 2041.8101 1935.1007 107.2772 -205889.4452 17705.3408 0.0000 0.0000 34553.8348 -148773.4581 301.7672 -183327.2929 -148675.0879 300.7679 -86.4990 -54.3658 558354.8754 13.2106 13.2964 PRESSURE: 3513000 -71.5619 31.984 -65.7636 31.9838 -129.182 -41.2724 -65.7633 -41.2726 24.075 GPRESSURE: 3513000 -44.4961 10.8924 -87.7833 47.448 -86.9991 -34.1978 -90.5512 -79.0376 47.1957 PRESSAVG: 3513000 -41.0944 -58.5178 -34.9434 -58.5178 -7.59986 13.9675 -34.9434 13.9675 8.27747 GPRESSAVG: 3513000 -39.6881 -58.6682 -35.8398 -60.2255 -8.28128 14.7995 -34.0721 14.2148 7.61418 TIMING: 3513000 CPU: 10200.4, 0.00291827/step Wall: 10200.4, 0.00291827/step, 1.20541 hours remaining, 207.644531 MB of memory in use. ENERGY: 3513000 769.7673 2137.3191 1946.1296 111.1735 -205492.6061 17662.4031 0.0000 0.0000 34105.0140 -148760.7995 297.8476 -182865.8135 -148672.0036 299.8605 -58.8897 -28.0998 558254.8013 -13.4723 -13.4517 PRESSURE: 3513200 -94.7058 34.4253 -71.8836 34.4246 -89.3916 -90.9178 -71.8853 -90.9181 282.661 GPRESSURE: 3513200 -65.8132 33.0025 -106.053 -6.98592 -6.15149 -68.9087 -57.1413 -79.2491 269.765 PRESSAVG: 3513200 -6.39863 11.3384 -20.1163 11.3383 -29.6403 -44.1033 -20.1163 -44.1033 31.981 GPRESSAVG: 3513200 -6.75221 12.0507 -17.625 12.4796 -29.1725 -45.2373 -21.4616 -44.6992 32.0809 TIMING: 3513200 CPU: 10201, 0.00293378/step Wall: 10201, 0.00293378/step, 1.21165 hours remaining, 207.644531 MB of memory in use. ENERGY: 3513200 754.5804 2118.8679 1986.2126 105.0251 -206234.5678 18032.2056 0.0000 0.0000 34408.1953 -148829.4808 300.4953 -183237.6761 -148730.9801 300.4376 32.8545 65.9333 559998.8684 -1.3526 -1.2813 PRESSURE: 3513400 182.433 -0.0628016 -117.024 -0.0615544 -213.106 -4.14886 -117.023 -4.14875 65.3756 GPRESSURE: 3513400 246.767 11.4975 -96.4986 60.5222 -187.277 -19.1973 -171.873 60.1948 60.5925 PRESSAVG: 3513400 -12.1082 -0.256515 -2.03199 -0.256451 7.89037 -15.6145 -2.03194 -15.6145 -40.5439 GPRESSAVG: 3513400 -12.5853 -0.918398 -2.0885 -1.84442 8.53241 -15.8184 -2.46227 -12.6236 -40.7789 TIMING: 3513400 CPU: 10201.6, 0.00292679/step Wall: 10201.6, 0.00292679/step, 1.2086 hours remaining, 207.644531 MB of memory in use. ENERGY: 3513400 741.7176 2108.0576 1931.3900 107.2248 -205797.4540 17730.0026 0.0000 0.0000 34274.6416 -148904.4199 299.3290 -183179.0614 -148807.9781 300.1070 11.5676 40.0275 558629.2286 -14.9206 -14.9439 PRESSURE: 3513600 99.7371 84.9079 210.401 84.9077 95.2604 -206.286 210.399 -206.288 -144.993 GPRESSURE: 3513600 74.4137 94.7395 242.201 36.8479 133.658 -227.122 220.668 -129.423 -66.5602 PRESSAVG: 3513600 81.593 33.3565 15.7892 33.3564 27.9969 6.05242 15.7892 6.05229 -71.229 GPRESSAVG: 3513600 82.7167 33.5065 15.1257 33.758 27.075 7.55317 18.1478 2.71994 -71.8944 TIMING: 3513600 CPU: 10202.2, 0.00293476/step Wall: 10202.2, 0.00293476/step, 1.21173 hours remaining, 207.644531 MB of memory in use. ENERGY: 3513600 729.9998 2168.3245 1937.0808 117.4352 -206025.6460 17709.6045 0.0000 0.0000 34547.4722 -148815.7291 301.7117 -183363.2012 -148726.1344 300.8028 16.6681 47.1705 557528.6583 12.7869 12.6324 PRESSURE: 3513800 186.007 57.093 2.87716 57.0927 -13.0966 -59.1778 2.87694 -59.1775 -351.985 GPRESSURE: 3513800 155.149 29.3961 2.33955 33.4905 28.736 -156.343 29.1528 -41.3023 -274.76 PRESSAVG: 3513800 19.302 1.80219 24.7639 1.80218 32.7153 -29.9141 24.7639 -29.9141 -11.4924 GPRESSAVG: 3513800 19.1143 1.47287 24.0514 2.03235 32.1878 -31.3466 26.0873 -29.1026 -10.77 TIMING: 3513800 CPU: 10202.8, 0.00294014/step Wall: 10202.8, 0.00294014/step, 1.21379 hours remaining, 207.644531 MB of memory in use. ENERGY: 3513800 769.7355 2094.5414 1948.8323 112.2148 -206353.1628 17808.1833 0.0000 0.0000 34564.0625 -149055.5930 301.8566 -183619.6555 -148966.6944 300.1537 -59.6917 -30.2916 557758.0106 13.5083 13.5107 PRESSURE: 3514000 -36.093 -11.1946 -53.0578 -11.1945 403.461 59.9347 -53.0565 59.934 196.507 GPRESSURE: 3514000 48.7531 14.3608 -59.4145 21.6649 402.662 93.5202 -68.8719 -4.94976 202.178 PRESSAVG: 3514000 50.5933 -20.9375 -29.4543 -20.9375 -30.4623 -6.73678 -29.4543 -6.73683 18.7567 GPRESSAVG: 3514000 50.4664 -20.6969 -26.9412 -20.7572 -30.2978 -4.457 -31.8824 -8.09578 18.3535 TIMING: 3514000 CPU: 10203.4, 0.00292089/step Wall: 10203.4, 0.00292089/step, 1.20568 hours remaining, 207.644531 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: 3514000 733.5246 2137.9672 1956.6650 107.5049 -206436.1054 18077.9796 0.0000 0.0000 34321.9603 -149100.5038 299.7422 -183422.4641 -149007.8060 299.8720 187.9585 217.8643 556952.5083 12.9626 12.8407 PRESSURE: 3514200 -32.9966 -71.3067 22.4571 -71.3073 -97.0396 76.276 22.4563 76.2753 -233.961 GPRESSURE: 3514200 -63.7367 -111.383 -29.5556 -53.9127 -3.23758 105.86 158.725 77.5084 -205.92 PRESSAVG: 3514200 41.3897 -17.5614 58.2713 -17.5612 11.7042 -21.2667 58.2713 -21.2668 -70.5713 GPRESSAVG: 3514200 40.7918 -15.9012 55.8735 -18.1229 11.7301 -22.3896 61.2641 -21.0821 -70.0906 TIMING: 3514200 CPU: 10203.9, 0.00292977/step Wall: 10203.9, 0.00292977/step, 1.20918 hours remaining, 207.644531 MB of memory in use. ENERGY: 3514200 735.3189 2046.0268 1954.4189 124.5038 -206166.7283 17695.8139 0.0000 0.0000 34540.0930 -149070.5530 301.6472 -183610.6460 -148974.5101 299.7310 -121.3325 -90.9648 557515.5188 -5.8258 -5.8562 PRESSURE: 3514400 -0.599331 48.5981 -162.33 48.5969 -30.2581 99.9836 -162.328 99.983 -152.39 GPRESSURE: 3514400 21.5268 -40.4408 -157.81 39.0908 -66.6279 41.1576 -199.987 149.053 -40.1721 PRESSAVG: 3514400 33.1667 -12.5516 44.1204 -12.5516 -8.95516 -18.4219 44.1205 -18.4219 -16.6758 GPRESSAVG: 3514400 33.8831 -15.3738 44.8796 -12.4508 -8.49492 -18.7229 43.5631 -17.7718 -17.5721 TIMING: 3514400 CPU: 10204.5, 0.00290297/step Wall: 10204.5, 0.00290297/step, 1.19796 hours remaining, 207.644531 MB of memory in use. ENERGY: 3514400 730.7002 2080.9338 1957.3504 115.8641 -206421.5945 17834.5391 0.0000 0.0000 34419.8546 -149282.3524 300.5972 -183702.2070 -149178.8976 299.5984 -61.0825 -28.4244 558851.1001 2.5119 2.6054 PRESSURE: 3514600 3.50697 19.7056 97.5963 19.7067 146.487 50.1669 97.597 50.1692 370.713 GPRESSURE: 3514600 37.2621 -6.95476 113.798 58.7426 171.416 28.4835 116.695 6.77573 394.818 PRESSAVG: 3514600 -45.5505 5.22313 -71.7826 5.22318 6.96725 39.0465 -71.7827 39.0465 44.9012 GPRESSAVG: 3514600 -45.8437 5.73234 -71.8916 6.90858 5.83004 39.6607 -71.7475 39.5302 45.6181 TIMING: 3514600 CPU: 10205.1, 0.00293613/step Wall: 10205.1, 0.00293613/step, 1.21148 hours remaining, 207.644531 MB of memory in use. ENERGY: 3514600 693.6665 2091.8064 1982.7295 112.4287 -206412.7731 18011.3316 0.0000 0.0000 34460.6258 -149060.1845 300.9532 -183520.8104 -148967.9439 299.4957 173.5689 201.1652 557549.8887 2.1060 1.8681 PRESSURE: 3514800 265.86 10.2753 -102.672 10.2744 -59.6375 114.069 -102.673 114.067 182.358 GPRESSURE: 3514800 257.838 -21.9906 -172.409 12.9716 18.6261 205.781 -100.91 107.459 213.608 PRESSAVG: 3514800 -0.750943 -69.7527 -47.2663 -69.7527 43.307 -19.7574 -47.2663 -19.7574 -27.7179 GPRESSAVG: 3514800 -1.83103 -69.6686 -49.5509 -71.7524 44.8313 -19.8673 -46.9393 -22.3001 -27.8779 TIMING: 3514800 CPU: 10205.7, 0.00290223/step Wall: 10205.7, 0.00290223/step, 1.19733 hours remaining, 207.644531 MB of memory in use. ENERGY: 3514800 745.1966 2090.0601 1977.9869 118.0982 -206452.5987 18137.4180 0.0000 0.0000 34322.7083 -149061.1306 299.7487 -183383.8389 -148967.0389 299.7394 129.5267 163.3574 558340.0085 4.9461 5.0408 PRESSURE: 3515000 31.9413 20.1914 -140.388 20.1917 -72.4808 -18.2614 -140.387 -18.2603 -103.949 GPRESSURE: 3515000 86.1158 10.6178 -123.295 58.0888 -87.152 92.9261 -193.062 -11.4349 -43.4588 PRESSAVG: 3515000 -27.9032 -25.9956 -41.355 -25.9955 35.8146 -41.4387 -41.355 -41.4386 -9.95109 GPRESSAVG: 3515000 -28.1367 -23.9203 -37.4342 -25.6137 35.6184 -41.5376 -42.3258 -39.432 -9.46607 TIMING: 3515000 CPU: 10206.3, 0.00291838/step Wall: 10206.3, 0.00291838/step, 1.20383 hours remaining, 207.707031 MB of memory in use. ENERGY: 3515000 720.4924 2096.9144 1974.8235 116.3162 -205973.6145 17796.7497 0.0000 0.0000 34186.2118 -149082.1065 298.5567 -183268.3183 -148977.3686 299.1068 -48.1627 -14.8317 559172.9835 -0.6799 -0.6615 PRESSURE: 3515200 214.9 -125.67 3.76964 -125.67 -51.6652 0.148085 3.76875 0.148276 -54.9255 GPRESSURE: 3515200 208.576 -124.711 -22.8274 2.66636 -21.0579 123.299 90.8848 -67.0688 21.2016 PRESSAVG: 3515200 17.5367 -73.0269 -12.3398 -73.0269 23.8283 -12.513 -12.34 -12.5131 6.8982 GPRESSAVG: 3515200 18.7243 -76.4228 -13.2093 -73.089 23.8274 -13.1554 -13.205 -11.605 5.89272 TIMING: 3515200 CPU: 10206.9, 0.00294841/step Wall: 10206.9, 0.00294841/step, 1.21606 hours remaining, 207.707031 MB of memory in use. ENERGY: 3515200 727.6207 2051.0662 1988.9336 124.3056 -205816.8702 17705.9556 0.0000 0.0000 34242.8776 -148976.1110 299.0516 -183218.9886 -148880.4574 299.6916 36.1029 69.5733 556629.4856 16.0877 16.1482 PRESSURE: 3515400 114.915 -65.2714 -5.53681 -65.2703 117.238 44.7785 -5.53815 44.7782 87.3979 GPRESSURE: 3515400 152.87 -6.83019 -52.756 -113.498 160.802 106.742 25.4187 100.737 101.962 PRESSAVG: 3515400 5.95945 -34.8605 -3.35027 -34.8606 -73.5326 -13.1846 -3.35024 -13.1846 51.618 GPRESSAVG: 3515400 7.42776 -33.6671 -5.08399 -34.42 -73.9486 -11.4066 -0.13529 -16.4109 50.4633 TIMING: 3515400 CPU: 10207.5, 0.00293873/step Wall: 10207.5, 0.00293873/step, 1.2119 hours remaining, 207.707031 MB of memory in use. ENERGY: 3515400 760.5592 2084.4202 1959.0069 115.9726 -206250.4079 17955.2237 0.0000 0.0000 34342.7743 -149032.4509 299.9240 -183375.2253 -148935.6724 299.3397 106.5169 138.5446 556906.7611 -5.3184 -5.3525 PRESSURE: 3515600 291.352 -37.8998 84.8601 -37.9004 100.706 23.0474 84.8608 23.048 206.518 GPRESSURE: 3515600 335.019 -149.536 -4.4296 68.2585 159.563 7.25827 67.7165 23.1964 210.69 PRESSAVG: 3515600 24.4198 -3.42652 26.4395 -3.4264 21.885 -32.3102 26.4396 -32.3102 6.27502 GPRESSAVG: 3515600 23.1046 -3.84155 27.4943 -2.93961 22.8185 -32.1386 25.0862 -31.7934 6.37858 TIMING: 3515600 CPU: 10208, 0.00296823/step Wall: 10208, 0.00296823/step, 1.2239 hours remaining, 207.707031 MB of memory in use. ENERGY: 3515600 747.0363 2027.1280 1962.2592 128.6328 -206189.7682 18076.2427 0.0000 0.0000 34285.4663 -148963.0029 299.4235 -183248.4691 -148863.5430 300.0017 199.5251 235.0906 557872.8692 17.5266 17.4339 PRESSURE: 3515800 69.6479 137.613 -85.9242 137.615 219.904 -154.806 -85.9237 -154.808 95.7914 GPRESSURE: 3515800 114.294 187.188 -40.7017 88.3862 253.103 -193.696 -75.4376 -35.4992 104.478 PRESSAVG: 3515800 7.49433 13.0724 -31.3017 13.0723 78.3088 -2.86708 -31.3017 -2.86724 -35.9754 GPRESSAVG: 3515800 8.30493 15.2593 -31.7089 12.295 77.626 -2.22094 -32.0212 -1.59556 -35.8894 TIMING: 3515800 CPU: 10208.6, 0.00293474/step Wall: 10208.6, 0.00293474/step, 1.20993 hours remaining, 207.707031 MB of memory in use. ENERGY: 3515800 734.4664 2101.1215 1982.8137 108.7435 -206050.7142 18039.7619 0.0000 0.0000 34178.6297 -148905.1772 298.4905 -183083.8070 -148805.7300 300.0651 128.4478 157.2914 559205.5485 16.6092 16.6805 PRESSURE: 3516000 34.987 -18.1758 -51.139 -18.1761 -42.1886 52.4837 -51.1387 52.4834 55.1649 GPRESSURE: 3516000 139.577 30.8527 -62.0883 -89.8331 -37.4696 111.398 -33.3687 -43.1335 37.3882 PRESSAVG: 3516000 -18.4362 22.5248 -5.7895 22.5248 28.1216 60.1871 -5.78945 60.1871 26.4712 GPRESSAVG: 3516000 -18.7211 22.4925 -5.31626 21.7897 28.2101 58.1227 -2.58102 61.2351 27.0393 TIMING: 3516000 CPU: 10209.2, 0.00294665/step Wall: 10209.2, 0.00294665/step, 1.21468 hours remaining, 207.707031 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: 3516000 786.4905 2135.1183 1958.7253 115.1270 -206354.3534 18032.8452 0.0000 0.0000 34482.5986 -148843.4484 301.1451 -183326.0470 -148757.6214 299.5140 15.9878 46.4985 558308.4880 12.0522 12.1761 PRESSURE: 3516200 62.9656 -152.745 13.001 -152.745 -3.41183 139.886 13.0006 139.885 209.321 GPRESSURE: 3516200 76.9108 -156.839 -4.12444 -206.226 70.3011 179.501 53.4072 108.509 213.61 PRESSAVG: 3516200 -3.31272 7.13479 23.8101 7.13484 -17.8648 -1.02376 23.8102 -1.02377 3.29964 GPRESSAVG: 3516200 -4.01563 7.58196 25.5626 5.69295 -17.4339 -0.25121 20.978 -1.56066 3.2697 TIMING: 3516200 CPU: 10209.8, 0.0029603/step Wall: 10209.8, 0.0029603/step, 1.22014 hours remaining, 207.707031 MB of memory in use. ENERGY: 3516200 768.0509 2118.5007 1972.4079 112.3999 -205923.1476 17770.8612 0.0000 0.0000 34417.6154 -148763.3115 300.5776 -183180.9269 -148668.1065 300.0660 89.6248 120.2739 556301.3553 -5.9593 -6.0599 LDB: ============= START OF LOAD BALANCING ============== 10213.3 LDB: ============== END OF LOAD BALANCING =============== 10213.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10213.3 LDB: ============= START OF LOAD BALANCING ============== 10213.6 LDB: Largest compute 4820 load 0.034383 is 29.2% of average load 0.117873 LDB: Average compute 0.001726 is 1.5% of average load 0.117873 LDB: TIME 10213.6 LOAD: AVG 0.117873 MAX 0.177553 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.188 MB LDB: TIME 10213.6 LOAD: AVG 0.117873 MAX 0.177553 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: TIME 10213.6 LOAD: AVG 0.117873 MAX 0.177553 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10213.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10213.6 PRESSURE: 3516400 -235.139 -141.307 42.1683 -141.306 61.1914 -224.752 42.1686 -224.752 -18.4892 GPRESSURE: 3516400 -213.339 -158.473 27.8922 -151.79 90.0484 -92.9137 -50.5954 -309.575 22.4216 PRESSAVG: 3516400 -33.8301 -59.9474 41.7093 -59.9475 13.7778 -5.656 41.7093 -5.65597 47.1112 GPRESSAVG: 3516400 -32.7306 -59.9109 38.7767 -59.7881 12.8748 -6.51169 41.8147 -5.69935 46.598 TIMING: 3516400 CPU: 10210.4, 0.00299841/step Wall: 10210.4, 0.00299841/step, 1.23568 hours remaining, 207.046875 MB of memory in use. ENERGY: 3516400 755.9076 2061.0455 1974.8789 120.4219 -205583.2544 17567.8538 0.0000 0.0000 34587.9896 -148515.1572 302.0655 -183103.1468 -148418.2667 301.3137 -64.1456 -33.6232 557641.8657 9.0196 8.9141 PRESSURE: 3516600 26.1194 -91.2587 141.463 -91.2584 -91.7073 -16.7033 141.462 -16.7033 -61.6218 GPRESSURE: 3516600 88.4707 -146.872 126.63 -122.281 -72.356 17.1937 102.366 -63.0858 -25.6668 PRESSAVG: 3516600 -92.6069 9.9929 17.1754 9.99287 -28.5593 -47.8317 17.1755 -47.8317 77.2059 GPRESSAVG: 3516600 -91.7141 8.61925 19.1624 11.2199 -28.4554 -46.646 15.8162 -48.2581 75.9834 TIMING: 3516600 CPU: 10211, 0.00292884/step Wall: 10211, 0.00292884/step, 1.20685 hours remaining, 207.355469 MB of memory in use. ENERGY: 3516600 744.0131 2074.0058 1943.4490 114.3783 -205685.5847 17762.8650 0.0000 0.0000 34408.2753 -148638.5983 300.4960 -183046.8736 -148546.2492 301.2655 -42.4032 -3.1840 557825.7958 -14.6534 -14.7287 PRESSURE: 3516800 -78.992 91.4097 -136.803 91.4086 -64.9383 133.71 -136.802 133.708 -164.12 GPRESSURE: 3516800 -84.7139 74.2402 -210.189 63.4066 -28.2333 125.364 -40.8498 127.17 -109.909 PRESSAVG: 3516800 5.92482 28.1632 -37.1154 28.1633 -22.2039 18.8448 -37.1153 18.8448 59.0342 GPRESSAVG: 3516800 4.64317 27.3319 -36.6782 28.1638 -21.9369 16.7068 -35.1085 20.0786 59.9091 TIMING: 3516800 CPU: 10211.6, 0.00292492/step Wall: 10211.6, 0.00292492/step, 1.20507 hours remaining, 207.558594 MB of memory in use. ENERGY: 3516800 729.5990 2135.4122 1977.9047 113.8719 -205520.0584 17498.4881 0.0000 0.0000 34393.2774 -148671.5051 300.3650 -183064.7825 -148567.7200 301.1460 -102.6833 -74.2853 557664.9968 14.2517 14.2051 PRESSURE: 3517000 -164.179 -25.401 38.8745 -25.3994 -243.154 -70.0418 38.8732 -70.0412 21.518 GPRESSURE: 3517000 -102.38 20.196 60.2878 -27.8441 -175.606 27.9749 100.713 -172.748 -22.7672 PRESSAVG: 3517000 16.443 -55.0441 -59.5596 -55.0441 35.4116 -28.7435 -59.5595 -28.7434 -68.9457 GPRESSAVG: 3517000 16.7406 -54.1619 -61.1972 -55.6103 34.656 -28.2484 -58.241 -28.937 -68.078 TIMING: 3517000 CPU: 10212.2, 0.00292507/step Wall: 10212.2, 0.00292507/step, 1.20497 hours remaining, 207.558594 MB of memory in use. ENERGY: 3517000 732.8182 2114.9499 1946.5385 119.0943 -205861.1850 17734.5907 0.0000 0.0000 34609.1804 -148604.0129 302.2506 -183213.1933 -148509.6719 300.5639 -128.6050 -100.2510 558074.1476 -5.6970 -5.5605 PRESSURE: 3517200 -52.1343 -158.989 137.236 -158.989 123.055 27.638 137.236 27.6392 -258.32 GPRESSURE: 3517200 11.4025 -138.227 214.026 -159.786 129.515 83.021 12.9765 43.9951 -236.115 PRESSAVG: 3517200 34.3374 -39.8122 -76.8669 -39.8121 28.9422 -3.32524 -76.8668 -3.32523 -80.83 GPRESSAVG: 3517200 35.7467 -41.1796 -76.9325 -38.4848 27.7133 -2.93148 -78.7877 -2.76483 -80.3172 TIMING: 3517200 CPU: 10212.8, 0.00292787/step Wall: 10212.8, 0.00292787/step, 1.20596 hours remaining, 207.558594 MB of memory in use. ENERGY: 3517200 773.0805 2132.4614 1947.9644 103.9359 -205784.3638 17803.5957 0.0000 0.0000 34388.9930 -148634.3330 300.3276 -183023.3260 -148537.6208 300.5053 -62.4664 -31.7327 558383.4742 -5.8501 -5.6191 PRESSURE: 3517400 -109.253 -120.629 -151.616 -120.627 -64.0154 -25.8389 -151.617 -25.8391 -130.671 GPRESSURE: 3517400 -29.9079 -170.813 -73.0735 -108.873 -56.1078 -47.4977 -218.586 -21.6065 -110.105 PRESSAVG: 3517400 27.2585 -10.6972 24.6665 -10.6972 35.84 37.1574 24.6666 37.1574 -92.1539 GPRESSAVG: 3517400 25.838 -9.37881 26.3579 -10.6371 37.3825 38.0641 23.6599 34.9254 -92.7583 TIMING: 3517400 CPU: 10213.3, 0.00291246/step Wall: 10213.3, 0.00291246/step, 1.19945 hours remaining, 207.628906 MB of memory in use. ENERGY: 3517400 715.7114 2097.1012 1943.6002 112.5825 -205544.3198 17571.2906 0.0000 0.0000 34483.6944 -148620.3395 301.1547 -183104.0339 -148519.8613 300.7925 -101.3133 -65.3736 558362.6675 -9.6851 -9.8460 PRESSURE: 3517600 -14.9919 -35.789 73.1311 -35.7884 -26.9773 112.202 73.1316 112.201 188.143 GPRESSURE: 3517600 50.4513 62.7093 -39.3235 -38.7442 -11.905 182.146 162.691 77.0085 185.19 PRESSAVG: 3517600 43.858 -33.7666 12.6331 -33.7666 29.8314 -26.72 12.6331 -26.7201 -50.33 GPRESSAVG: 3517600 43.2618 -31.7421 9.52929 -35.3211 30.701 -27.9609 14.5841 -25.2887 -50.7588 TIMING: 3517600 CPU: 10213.9, 0.00290756/step Wall: 10213.9, 0.00290756/step, 1.19727 hours remaining, 207.628906 MB of memory in use. ENERGY: 3517600 729.7424 2118.2073 1959.2163 109.2526 -205677.4363 17756.5574 0.0000 0.0000 34163.5100 -148840.9504 298.3584 -183004.4604 -148749.4600 300.8291 48.7245 74.5787 556990.9650 7.7865 7.7347 PRESSURE: 3517800 -22.2501 48.3808 -91.1479 48.3811 -56.813 3.74586 -91.1481 3.74562 74.9075 GPRESSURE: 3517800 19.8789 16.18 -151.312 -17.029 -23.3572 78.3914 -49.1867 -19.28 97.7174 PRESSAVG: 3517800 -11.0004 38.3775 22.019 38.3774 -24.8001 -7.00349 22.019 -7.00348 55.8701 GPRESSAVG: 3517800 -11.6588 36.9287 23.0832 38.9724 -23.3505 -5.77727 22.8723 -9.75692 54.9999 TIMING: 3517800 CPU: 10214.5, 0.00294627/step Wall: 10214.5, 0.00294627/step, 1.21305 hours remaining, 207.628906 MB of memory in use. ENERGY: 3517800 722.5839 2127.5534 1959.1297 116.1850 -205983.6683 17833.2081 0.0000 0.0000 34429.5343 -148795.4739 300.6817 -183225.0082 -148702.5204 300.0909 -1.3852 31.4131 559010.0427 6.6899 6.6635 PRESSURE: 3518000 -233.216 127.072 -178.163 127.071 88.3415 30.9577 -178.163 30.9562 -36.1328 GPRESSURE: 3518000 -190.535 137.341 -109.927 123.42 101.704 35.2506 -211.79 60.2947 0.234485 PRESSAVG: 3518000 -6.07532 53.4997 -20.646 53.4998 64.6459 -9.84044 -20.6459 -9.84039 -95.0154 GPRESSAVG: 3518000 -5.67786 53.8765 -19.4436 53.6601 63.5732 -9.17902 -22.3085 -8.5078 -94.2462 TIMING: 3518000 CPU: 10215.1, 0.00296404/step Wall: 10215.1, 0.00296404/step, 1.2202 hours remaining, 207.628906 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: 3518000 788.8423 2107.6575 1950.6865 107.5401 -206166.9437 17990.2488 0.0000 0.0000 34365.2374 -148856.7311 300.1202 -183221.9685 -148761.2749 300.4072 -60.3356 -29.5321 558207.9338 -12.1483 -12.1170 PRESSURE: 3518200 37.856 -10.1791 66.1703 -10.178 34.7265 -72.8819 66.1691 -72.8817 -292.947 GPRESSURE: 3518200 58.3282 -12.566 84.1744 -84.3232 33.3632 -162.743 77.5674 -163.993 -216.052 PRESSAVG: 3518200 -13.1422 -3.17453 19.6294 -3.17458 40.2252 -64.2616 19.6294 -64.2617 14.97 GPRESSAVG: 3518200 -12.7669 -3.89339 20.7317 -3.6686 39.9299 -65.4589 19.3364 -62.889 14.1256 TIMING: 3518200 CPU: 10215.7, 0.00292015/step Wall: 10215.7, 0.00292015/step, 1.20197 hours remaining, 207.628906 MB of memory in use. ENERGY: 3518200 764.8420 2058.8416 1960.5252 103.6291 -205868.8414 17622.8258 0.0000 0.0000 34442.2117 -148915.9659 300.7924 -183358.1777 -148819.4409 300.2382 -73.4547 -41.4535 557432.2882 14.0177 13.7629 PRESSURE: 3518400 128.166 143.868 -78.2796 143.868 107.371 -0.385155 -78.2791 -0.384348 -97.4462 GPRESSURE: 3518400 129.025 102.763 -187.004 127.028 174.328 -85.5713 -6.94 51.0639 -65.3982 PRESSAVG: 3518400 55.251 50.9921 52.9815 50.9922 -6.95063 -5.22518 52.9816 -5.22514 -4.84581 GPRESSAVG: 3518400 54.7794 48.895 49.6202 51.3341 -6.67115 -4.56785 54.4514 -4.9386 -4.17621 TIMING: 3518400 CPU: 10216.3, 0.00293577/step Wall: 10216.3, 0.00293577/step, 1.20823 hours remaining, 207.628906 MB of memory in use. ENERGY: 3518400 710.5285 2062.9949 1967.1732 112.8202 -206232.3615 18115.5660 0.0000 0.0000 34315.3052 -148947.9735 299.6841 -183263.2787 -148855.9852 299.7695 46.0301 79.3183 559785.4517 14.4848 14.6440 PRESSURE: 3518600 -162.106 -9.85391 112.243 -9.85499 -351.531 62.9315 112.244 62.9308 -102.501 GPRESSURE: 3518600 -107.977 -122.286 92.3487 -0.415109 -357.375 65.3458 122.269 77.9565 -54.6437 PRESSAVG: 3518600 104.776 -116.419 30.9873 -116.419 -88.8235 -8.81739 30.9873 -8.81735 13.2021 GPRESSAVG: 3518600 104.489 -114.343 33.8797 -117.264 -89.5444 -8.54013 29.2649 -9.49849 13.9891 TIMING: 3518600 CPU: 10216.9, 0.00292815/step Wall: 10216.9, 0.00292815/step, 1.20493 hours remaining, 207.628906 MB of memory in use. ENERGY: 3518600 785.5540 2108.9758 2007.7266 129.9588 -205767.9999 17572.3046 0.0000 0.0000 34134.2757 -149029.2044 298.1031 -183163.4801 -148932.3020 299.6643 -205.3791 -173.3318 558300.8016 9.7182 9.6446 PRESSURE: 3518800 130.65 3.83544 42.1689 3.83588 -204.778 28.9653 42.169 28.9648 171.499 GPRESSURE: 3518800 136.682 34.3115 44.9655 -110.748 -165.999 36.1018 33.5699 72.2725 220.967 PRESSAVG: 3518800 8.73054 24.3575 40.6458 24.3575 36.6631 -14.4214 40.6459 -14.4213 26.1152 GPRESSAVG: 3518800 8.26655 22.1881 39.6226 26.1426 36.3768 -14.4421 42.5143 -15.2794 26.6679 TIMING: 3518800 CPU: 10217.4, 0.00290819/step Wall: 10217.4, 0.00290819/step, 1.19656 hours remaining, 207.628906 MB of memory in use. ENERGY: 3518800 719.6839 2127.8693 2005.4927 111.4961 -206153.6554 17691.1218 0.0000 0.0000 34319.4392 -149178.5524 299.7202 -183497.9916 -149078.8514 300.0091 32.4569 63.8836 557021.9314 23.8363 23.7704 PRESSURE: 3519000 117.506 -24.6013 46.6131 -24.5994 155.056 118.278 46.6133 118.277 311.306 GPRESSURE: 3519000 192.005 20.7197 92.8427 -14.3369 148.896 58.4575 -39.8769 198.087 349.979 PRESSAVG: 3519000 46.9742 -9.5266 55.4621 -9.52659 3.05698 -18.1227 55.4621 -18.1227 23.8003 GPRESSAVG: 3519000 46.8317 -7.81817 55.6064 -10.9206 5.43935 -18.7831 53.1329 -16.5707 21.9294 TIMING: 3519000 CPU: 10218, 0.00293563/step Wall: 10218, 0.00293563/step, 1.20769 hours remaining, 207.628906 MB of memory in use. ENERGY: 3519000 698.9473 2079.1602 1983.6152 100.2046 -206360.4835 18126.4996 0.0000 0.0000 34100.0643 -149271.9922 297.8043 -183372.0566 -149177.5088 299.2605 194.6226 230.2933 556817.0292 24.6105 24.7335 PRESSURE: 3519200 291.706 -19.5084 10.8155 -19.5083 250.477 -22.822 10.8154 -22.8206 -31.4699 GPRESSURE: 3519200 318.244 -78.3049 -13.4527 -34.1979 231.361 -32.1831 -20.2786 -15.2811 51.4187 PRESSAVG: 3519200 -70.0027 -17.8231 36.6337 -17.8232 35.665 32.938 36.6337 32.938 14.6592 GPRESSAVG: 3519200 -69.6892 -20.1921 35.4388 -15.6339 34.08 33.0312 38.4089 32.6638 15.7673 TIMING: 3519200 CPU: 10218.6, 0.0029462/step Wall: 10218.6, 0.0029462/step, 1.21187 hours remaining, 207.628906 MB of memory in use. ENERGY: 3519200 718.2845 2114.1082 1979.7468 119.3863 -206430.4281 18026.3318 0.0000 0.0000 34125.1106 -149347.4598 298.0231 -183472.5705 -149251.8012 298.0912 170.2379 200.3411 556886.5909 -6.5595 -6.6140 PRESSURE: 3519400 14.8608 -55.8249 91.2436 -55.8245 -308.815 126.435 91.2431 126.437 -35.9472 GPRESSURE: 3519400 50.7746 23.5955 51.522 20.0388 -287.872 105.936 57.1739 123.491 10.5803 PRESSAVG: 3519400 88.5253 -29.0379 27.7441 -29.0379 -15.4569 -18.3185 27.7441 -18.3184 -81.5817 GPRESSAVG: 3519400 88.8286 -27.1979 28.2651 -29.9024 -15.092 -19.5718 29.1566 -17.6723 -82.0869 TIMING: 3519400 CPU: 10219.2, 0.00294443/step Wall: 10219.2, 0.00294443/step, 1.21098 hours remaining, 207.628906 MB of memory in use. ENERGY: 3519400 769.8962 2096.3533 2000.1278 112.2561 -206270.5548 17703.5168 0.0000 0.0000 34205.9972 -149382.4074 298.7295 -183588.4046 -149292.1137 298.3891 -109.9671 -75.5056 557344.3285 -2.8378 -2.7834 PRESSURE: 3519600 -163.417 -43.3541 52.7302 -43.3538 -62.6965 -109.769 52.7307 -109.771 232.902 GPRESSURE: 3519600 -116.484 -64.4391 68.2475 -104.235 -44.6777 -97.8731 75.1859 -81.1852 272.13 PRESSAVG: 3519600 -56.3973 -6.10592 31.7854 -6.10605 -43.6255 -2.32057 31.7854 -2.3204 92.0516 GPRESSAVG: 3519600 -56.2347 -4.59038 33.0686 -7.80597 -44.6374 -3.95194 32.7246 -3.27162 92.484 TIMING: 3519600 CPU: 10219.8, 0.00298799/step Wall: 10219.8, 0.00298799/step, 1.22873 hours remaining, 207.628906 MB of memory in use. ENERGY: 3519600 753.1625 2005.5175 1971.6272 106.8852 -206391.2504 17989.6649 0.0000 0.0000 34320.5132 -149243.8800 299.7296 -183564.3932 -149142.6308 298.5969 2.2625 36.9895 556868.4629 -2.6570 -2.7960 PRESSURE: 3519800 -87.3361 14.6956 -11.3015 14.6952 158.311 27.5701 -11.2997 27.5704 -300.634 GPRESSURE: 3519800 -135.357 -71.6838 2.2856 8.11996 194.629 -79.095 51.6838 92.0178 -193.761 PRESSAVG: 3519800 30.2398 -16.2085 75.8112 -16.2086 -47.3808 -62.7939 75.8111 -62.794 -3.52443 GPRESSAVG: 3519800 29.7584 -20.4873 75.5967 -14.8187 -46.232 -59.5053 73.7921 -63.2242 -4.41253 TIMING: 3519800 CPU: 10220.4, 0.00296076/step Wall: 10220.4, 0.00296076/step, 1.21736 hours remaining, 207.628906 MB of memory in use. ENERGY: 3519800 767.9123 2052.5881 2006.7411 105.3682 -206380.3351 18020.2220 0.0000 0.0000 34453.3407 -148974.1628 300.8896 -183427.5034 -148876.3939 299.6005 -76.5530 -44.8293 559416.3561 -6.8885 -6.9621 PRESSURE: 3520000 13.6131 20.881 -61.49 20.8799 8.54547 133.987 -61.4898 133.988 86.2477 GPRESSURE: 3520000 46.6539 -34.4236 -103.332 109.953 40.5957 121.922 -73.437 114.979 124.226 PRESSAVG: 3520000 -5.02228 -4.40741 -3.54253 -4.40748 -20.3174 23.7441 -3.54259 23.7441 16.1356 GPRESSAVG: 3520000 -5.07864 -2.47533 -3.52652 -3.64953 -21.1889 23.4136 -3.61729 24.1415 17.0264 TIMING: 3520000 CPU: 10221, 0.00293023/step Wall: 10221, 0.00293023/step, 1.20465 hours remaining, 207.628906 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: 3520000 732.1094 2027.9726 1981.5439 108.6967 -206062.6382 17914.1268 0.0000 0.0000 34227.4981 -149070.6907 298.9173 -183298.1887 -148968.2162 299.9210 36.1354 70.4920 558712.6761 -3.0680 -3.0804 PRESSURE: 3520200 81.287 27.709 -263.166 27.7098 84.9417 122.552 -263.166 122.552 241.722 GPRESSURE: 3520200 77.791 11.1377 -222.182 118.017 105.089 7.35644 -194.637 236.938 313.909 PRESSAVG: 3520200 -21.5874 63.9916 -23.1189 63.9916 60.2377 2.87179 -23.1189 2.87186 11.2269 GPRESSAVG: 3520200 -21.7994 65.8683 -24.7507 61.8823 60.5666 -0.166003 -23.6724 3.80213 11.3927 TIMING: 3520200 CPU: 10221.6, 0.00292591/step Wall: 10221.6, 0.00292591/step, 1.20271 hours remaining, 207.628906 MB of memory in use. ENERGY: 3520200 799.0647 2102.0020 2010.0670 103.8945 -206231.8297 18062.0100 0.0000 0.0000 34232.2280 -148922.5636 298.9586 -183154.7916 -148827.7504 299.7441 135.9835 165.5962 558055.7191 16.6257 16.7200 LDB: ============= START OF LOAD BALANCING ============== 10225 LDB: ============== END OF LOAD BALANCING =============== 10225 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10225 LDB: ============= START OF LOAD BALANCING ============== 10225.3 LDB: Largest compute 4820 load 0.034427 is 29.2% of average load 0.117912 LDB: Average compute 0.001730 is 1.5% of average load 0.117912 LDB: TIME 10225.3 LOAD: AVG 0.117912 MAX 0.180337 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 10225.3 LOAD: AVG 0.117912 MAX 0.180337 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 10225.3 LOAD: AVG 0.117912 MAX 0.180337 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10225.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10225.3 PRESSURE: 3520400 46.1808 72.7919 -37.541 72.7919 -108.725 -40.1957 -37.5404 -40.1958 111.445 GPRESSURE: 3520400 70.659 156.993 0.0439571 7.35837 -74.6229 31.7348 -114.82 -60.3543 149.697 PRESSAVG: 3520400 -6.27586 28.2519 -51.4011 28.2519 -56.2418 -5.92811 -51.4011 -5.92822 54.2472 GPRESSAVG: 3520400 -5.0147 25.8239 -51.2797 31.6464 -56.0776 -4.37922 -52.7597 -5.90193 52.7661 TIMING: 3520400 CPU: 10222.2, 0.0029969/step Wall: 10222.2, 0.0029969/step, 1.23172 hours remaining, 207.617188 MB of memory in use. ENERGY: 3520400 753.1033 2120.1002 1991.2147 110.6802 -206172.6332 17869.4150 0.0000 0.0000 34240.5522 -149087.5675 299.0313 -183328.1197 -148995.1294 299.2956 16.3005 48.5776 558036.6774 -2.7568 -2.7754 PRESSURE: 3520600 -277.81 41.9429 80.1531 41.9417 -246.213 -23.0828 80.1523 -23.0838 -138.97 GPRESSURE: 3520600 -238.772 85.089 66.1159 39.4966 -210.752 -49.7462 96.3356 12.2869 -111.242 PRESSAVG: 3520600 -16.5934 66.2696 -39.4186 66.2697 -63.9116 -42.8245 -39.4186 -42.8244 31.0105 GPRESSAVG: 3520600 -17.3178 66.8769 -37.9781 63.8769 -63.5544 -44.0152 -37.4338 -42.679 31.717 TIMING: 3520600 CPU: 10222.8, 0.00295494/step Wall: 10222.8, 0.00295494/step, 1.21431 hours remaining, 207.820312 MB of memory in use. ENERGY: 3520600 769.2564 2116.4912 1988.0484 113.9839 -205853.7009 17632.6588 0.0000 0.0000 34061.9017 -149171.3604 297.4711 -183233.2621 -149077.5176 299.4002 -220.9975 -186.9221 559793.1023 -16.4981 -16.3851 PRESSURE: 3520800 -86.0678 -117.95 85.8105 -117.951 -258.46 111.051 85.8087 111.05 8.93553 GPRESSURE: 3520800 -26.5105 -99.4014 128.577 -96.0105 -229.884 95.6487 118.968 162.625 21.4073 PRESSAVG: 3520800 -4.16806 -61.6846 -36.3109 -61.6845 21.2008 -28.307 -36.311 -28.3069 -3.66362 GPRESSAVG: 3520800 -4.10667 -59.7697 -37.0713 -61.5831 22.0035 -25.3239 -35.8238 -30.7688 -4.48336 TIMING: 3520800 CPU: 10223.3, 0.00296668/step Wall: 10223.3, 0.00296668/step, 1.21898 hours remaining, 207.820312 MB of memory in use. ENERGY: 3520800 721.9173 2111.9998 1996.0416 127.6455 -206126.1521 17690.3568 0.0000 0.0000 34273.1803 -149205.0108 299.3162 -183478.1911 -149113.8292 299.1818 -111.8640 -78.3292 558911.1787 4.4564 4.4712 PRESSURE: 3521000 -67.7258 81.3429 -72.044 81.3437 31.3641 52.5542 -72.0434 52.5526 -4.41279 GPRESSURE: 3521000 -27.3715 46.1272 -95.4597 68.7001 24.1166 -37.674 -92.2726 133.411 68.6209 PRESSAVG: 3521000 -29.9395 -2.673 -46.7093 -2.67297 46.3407 -13.7162 -46.7093 -13.7162 5.8221 GPRESSAVG: 3521000 -30.7663 -3.95586 -46.4748 -3.01551 46.3664 -15.7787 -48.1249 -11.314 6.73503 TIMING: 3521000 CPU: 10223.9, 0.00297082/step Wall: 10223.9, 0.00297082/step, 1.22051 hours remaining, 207.820312 MB of memory in use. ENERGY: 3521000 744.9671 2079.9505 1961.1270 113.5530 -205859.1270 17826.0406 0.0000 0.0000 33955.6880 -149177.8009 296.5435 -183133.4889 -149076.3565 299.2270 -13.5915 21.7886 558994.3651 7.4078 7.4451 PRESSURE: 3521200 -263.293 -122.825 -65.4234 -122.827 32.021 -166.532 -65.4234 -166.531 -324.205 GPRESSURE: 3521200 -284.816 -101.822 -49.8421 -22.4102 118.706 -282.466 37.6691 -125.721 -276.593 PRESSAVG: 3521200 -40.9257 -73.1154 -46.7683 -73.1153 33.9619 -3.6291 -46.7684 -3.62899 -1.53269 GPRESSAVG: 3521200 -41.9401 -73.3346 -46.4859 -71.489 33.7135 -2.72744 -46.7348 -5.33829 -1.13357 TIMING: 3521200 CPU: 10224.5, 0.00296964/step Wall: 10224.5, 0.00296964/step, 1.21986 hours remaining, 207.820312 MB of memory in use. ENERGY: 3521200 763.9103 2080.6851 1931.4811 117.3664 -206020.5149 17724.2628 0.0000 0.0000 34292.5211 -149110.2881 299.4851 -183402.8093 -149011.9854 299.3290 -185.1592 -147.5675 559618.0159 -2.8322 -3.1201 PRESSURE: 3521400 -506.457 -84.2213 154.837 -84.221 -95.6428 26.5748 154.837 26.5751 -26.5907 GPRESSURE: 3521400 -458.118 -177.604 155.413 -121.945 -63.7267 40.6572 156.912 -59.7087 -15.608 PRESSAVG: 3521400 -103.114 -67.6162 -26.1461 -67.6162 82.1042 -12.0992 -26.146 -12.0989 8.37611 GPRESSAVG: 3521400 -102.271 -67.7048 -27.3651 -70.5912 81.9138 -12.695 -26.412 -12.6129 7.44067 TIMING: 3521400 CPU: 10225.1, 0.00295678/step Wall: 10225.1, 0.00295678/step, 1.21442 hours remaining, 207.820312 MB of memory in use. ENERGY: 3521400 745.0650 2110.4270 1955.6530 128.5565 -205966.0542 17640.0944 0.0000 0.0000 34111.2626 -149274.9957 297.9021 -183386.2583 -149183.6699 299.2318 -209.5635 -179.1510 558502.6656 -4.2112 -4.3056 PRESSURE: 3521600 -309.083 -40.6966 88.507 -40.6956 -283.504 134.429 88.5085 134.428 -204.499 GPRESSURE: 3521600 -295.523 -64.9775 44.1735 48.1283 -273.701 184.735 82.6143 53.301 -138.216 PRESSAVG: 3521600 3.88456 41.3486 -34.4906 41.3485 13.7873 -24.7834 -34.4907 -24.7835 1.21931 GPRESSAVG: 3521600 4.18032 42.3391 -32.3425 42.5257 13.3663 -23.354 -34.8701 -24.2013 1.59484 TIMING: 3521600 CPU: 10225.7, 0.00297982/step Wall: 10225.7, 0.00297982/step, 1.22371 hours remaining, 207.820312 MB of memory in use. ENERGY: 3521600 768.7800 2110.2199 1994.7361 117.6945 -205673.3533 17482.4284 0.0000 0.0000 34294.1829 -148905.3115 299.4996 -183199.4944 -148816.2950 299.0739 -265.6950 -235.8132 560099.4867 6.2971 6.3805 PRESSURE: 3521800 136.047 28.5974 152.716 28.5969 102.049 99.2233 152.716 99.224 -44.1633 GPRESSURE: 3521800 184.52 37.2509 165.243 -29.5198 137.556 167.251 85.6466 54.9685 -30.2252 PRESSAVG: 3521800 -42.8618 11.5494 29.2136 11.5494 73.1714 9.7946 29.2136 9.79457 -45.1187 GPRESSAVG: 3521800 -43.1115 11.0934 26.2806 12.7737 73.767 10.5082 29.8774 8.5609 -45.592 TIMING: 3521800 CPU: 10226.3, 0.00295526/step Wall: 10226.3, 0.00295526/step, 1.21346 hours remaining, 207.820312 MB of memory in use. ENERGY: 3521800 797.6650 2102.8996 1948.8018 108.6197 -206242.8285 18011.9233 0.0000 0.0000 34495.6762 -148777.2430 301.2593 -183272.9192 -148683.0720 299.8146 64.6441 97.2834 556726.0524 -4.9364 -4.9788 PRESSURE: 3522000 -115.355 -20.2868 13.2596 -20.2862 -201.387 88.2095 13.2593 88.2104 -29.7929 GPRESSURE: 3522000 -102.512 -3.55682 58.0854 -103.103 -182.523 136.639 3.71364 65.0954 22.2513 PRESSAVG: 3522000 91.9025 -22.3743 25.5114 -22.3743 -27.8905 21.4198 25.5115 21.4198 -16.6638 GPRESSAVG: 3522000 91.0504 -21.1962 29.5807 -24.4722 -27.2933 20.6255 22.8386 21.2904 -16.9262 TIMING: 3522000 CPU: 10226.9, 0.00296349/step Wall: 10226.9, 0.00296349/step, 1.21668 hours remaining, 207.820312 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: 3522000 745.3326 2152.1315 1990.2713 111.1025 -205521.7447 17490.0517 0.0000 0.0000 34150.4132 -148882.4419 298.2441 -183032.8551 -148786.6596 300.4670 -115.5116 -87.5945 558202.6910 15.7827 15.6103 PRESSURE: 3522200 144.698 115.875 -231.883 115.876 146.883 -35.9777 -231.884 -35.9758 78.2555 GPRESSURE: 3522200 145.173 138.94 -196.72 147.45 196.601 -35.8871 -197.304 -56.5315 125.157 PRESSAVG: 3522200 1.57537 0.757845 15.3647 0.757855 8.16896 12.4975 15.3647 12.4975 34.3559 GPRESSAVG: 3522200 1.34364 -0.923125 13.7358 1.08515 7.81735 12.0508 16.0414 16.2646 35.1795 TIMING: 3522200 CPU: 10227.5, 0.00295038/step Wall: 10227.5, 0.00295038/step, 1.21113 hours remaining, 207.820312 MB of memory in use. ENERGY: 3522200 740.9362 2094.3046 1994.8166 117.2551 -206301.5831 18044.7187 0.0000 0.0000 34549.0166 -148760.5352 301.7252 -183309.5518 -148663.9930 299.8803 123.2790 155.6436 558267.3801 14.7001 14.7802 PRESSURE: 3522400 -200.511 82.2119 86.1892 82.2114 -127.393 -129.418 86.189 -129.42 -39.4414 GPRESSURE: 3522400 -208.065 33.4102 42.0998 139.178 -73.3563 -251.695 178.327 -19.0448 27.9785 PRESSAVG: 3522400 -0.608639 13.659 17.1472 13.6591 5.86571 36.9759 17.1472 36.9759 -13.8726 GPRESSAVG: 3522400 0.00673135 13.654 14.3937 14.702 5.66613 38.3648 17.8254 33.3755 -14.2876 TIMING: 3522400 CPU: 10228.1, 0.00293795/step Wall: 10228.1, 0.00293795/step, 1.20586 hours remaining, 207.820312 MB of memory in use. ENERGY: 3522400 760.7305 2127.3771 1958.4309 109.5918 -206256.6561 17719.8555 0.0000 0.0000 34650.9996 -148929.6706 302.6158 -183580.6703 -148838.8853 300.2406 -122.4483 -84.4810 559256.0946 -2.8719 -2.8716 PRESSURE: 3522600 -276.472 119.026 -55.591 119.026 -344.116 -59.1446 -55.5891 -59.1463 -20.6984 GPRESSURE: 3522600 -254.57 116.241 -30.3153 83.9077 -320.545 -117.039 -60.8173 91.0083 36.9934 PRESSAVG: 3522600 -2.10191 -9.85188 19.3378 -9.85191 23.1211 4.1817 19.3378 4.18162 -28.9571 GPRESSAVG: 3522600 -3.06339 -11.1585 21.7171 -9.17924 23.0052 3.28583 20.9656 4.37645 -28.6509 TIMING: 3522600 CPU: 10228.7, 0.00296132/step Wall: 10228.7, 0.00296132/step, 1.21529 hours remaining, 207.820312 MB of memory in use. ENERGY: 3522600 764.4383 2104.6769 1959.6098 96.5305 -205705.5842 17536.5455 0.0000 0.0000 34271.7478 -148972.0354 299.3037 -183243.7832 -148868.4361 300.5577 -213.7622 -179.3739 558961.4440 -2.6460 -2.9030 PRESSURE: 3522800 69.1568 42.1868 -14.4717 42.1859 -259.598 46.7798 -14.4696 46.7774 -222.231 GPRESSURE: 3522800 91.9087 89.1265 4.03468 52.6966 -211.24 32.3121 2.19055 106.394 -194.043 PRESSAVG: 3522800 49.7668 -11.0662 -29.2647 -11.0662 -71.5027 29.4278 -29.2645 29.4278 -1.38773 GPRESSAVG: 3522800 50.8587 -7.59325 -30.1435 -13.2732 -72.3334 26.8343 -29.9375 30.5491 -1.55625 TIMING: 3522800 CPU: 10229.3, 0.00295319/step Wall: 10229.3, 0.00295319/step, 1.21179 hours remaining, 207.820312 MB of memory in use. ENERGY: 3522800 718.0507 2091.6568 1953.7045 110.0229 -205797.6463 17645.5472 0.0000 0.0000 34381.3162 -148897.3481 300.2606 -183278.6643 -148801.6464 299.5795 -137.5572 -104.4579 559568.2206 -7.7079 -7.6770 PRESSURE: 3523000 99.2201 -113.423 36.3596 -113.425 -13.7155 -24.6459 36.3587 -24.6442 -3.16763 GPRESSURE: 3523000 107.49 -47.4748 31.2563 -121.628 14.0902 14.9839 15.5673 17.3581 53.742 PRESSAVG: 3523000 -9.88731 12.8588 8.87576 12.8588 52.5701 28.8081 8.87571 28.8082 -81.5574 GPRESSAVG: 3523000 -9.44051 9.50766 8.34128 14.1125 52.9276 32.3069 7.7286 29.3524 -82.2346 TIMING: 3523000 CPU: 10229.9, 0.00294619/step Wall: 10229.9, 0.00294619/step, 1.20876 hours remaining, 207.820312 MB of memory in use. ENERGY: 3523000 752.9199 2115.8421 1951.8451 106.5642 -206083.1273 17925.9540 0.0000 0.0000 34463.6456 -148766.3562 300.9796 -183230.0018 -148664.1058 300.0295 27.4457 58.4408 558203.6752 -12.9582 -12.9158 PRESSURE: 3523200 19.1306 65.4319 -198.027 65.4322 -47.627 -27.5717 -198.027 -27.5717 -62.6331 GPRESSURE: 3523200 65.5704 113.959 -280.332 90.1372 -45.4701 65.1542 -201.228 -71.2429 -17.5402 PRESSAVG: 3523200 28.4906 2.45231 4.06218 2.45229 -18.0051 45.1011 4.06218 45.1011 -20.9796 GPRESSAVG: 3523200 26.5355 4.91838 5.33694 1.38473 -16.8534 43.6905 2.70532 44.7938 -20.1979 TIMING: 3523200 CPU: 10230.4, 0.00295106/step Wall: 10230.4, 0.00295106/step, 1.21059 hours remaining, 207.820312 MB of memory in use. ENERGY: 3523200 765.3263 2098.9347 1963.7595 111.6543 -206021.0627 17776.3433 0.0000 0.0000 34406.4622 -148898.5827 300.4802 -183305.0448 -148805.0808 300.9478 -30.3765 0.8534 557914.5801 -3.4981 -3.5053 PRESSURE: 3523400 174.834 -78.4704 110.806 -78.4702 -136.605 -98.0935 110.807 -98.0929 -133.795 GPRESSURE: 3523400 227.039 -96.928 58.7247 -83.4108 -97.639 -99.5885 157.359 -63.5778 -122.947 PRESSAVG: 3523400 66.0434 -0.12692 18.5349 -0.126856 -18.5307 -2.53079 18.5348 -2.53099 -37.041 GPRESSAVG: 3523400 68.1995 -2.16618 16.4921 1.26621 -18.6563 -0.31658 20.652 -4.31989 -38.4823 TIMING: 3523400 CPU: 10231, 0.00296316/step Wall: 10231, 0.00296316/step, 1.21539 hours remaining, 207.820312 MB of memory in use. ENERGY: 3523400 741.3568 2111.9814 1959.3271 111.8588 -206062.4436 17863.4328 0.0000 0.0000 34349.0531 -148925.4336 299.9788 -183274.4867 -148827.5984 300.1324 -31.8554 2.1513 558419.5228 3.4905 3.6870 PRESSURE: 3523600 -266.29 -48.2249 -55.8645 -48.2235 -47.5732 -74.5875 -55.8634 -74.588 184.885 GPRESSURE: 3523600 -195.587 -47.602 -75.7008 -36.4541 -17.8952 -5.77718 -36.6753 -123.734 190.991 PRESSAVG: 3523600 -28.977 -51.2444 -41.0883 -51.2444 -34.4417 -33.5895 -41.0882 -33.5895 71.2118 GPRESSAVG: 3523600 -28.2429 -51.8486 -38.1052 -52.2014 -34.7349 -36.7963 -42.8826 -33.1318 71.4384 TIMING: 3523600 CPU: 10231.6, 0.00294893/step Wall: 10231.6, 0.00294893/step, 1.20939 hours remaining, 207.820312 MB of memory in use. ENERGY: 3523600 733.1448 2132.2482 1983.2534 113.0749 -206012.1037 17742.3980 0.0000 0.0000 34396.2256 -148911.7587 300.3908 -183307.9843 -148815.8260 300.2030 -42.9925 -7.4972 558494.7661 2.5977 2.8202 PRESSURE: 3523800 -147.499 -126.363 65.5749 -126.363 141.787 -14.7898 65.5741 -14.7887 88.0855 GPRESSURE: 3523800 -103.583 -106.505 110.52 -89.9562 162.426 3.37804 -20.7743 -31.2769 131.247 PRESSAVG: 3523800 -45.127 20.4533 -0.0138782 20.4532 61.3741 -63.0831 -0.0137716 -63.0831 9.03362 GPRESSAVG: 3523800 -46.1129 22.5336 -0.26257 19.8063 61.1431 -62.9238 -1.18596 -62.9034 10.3984 TIMING: 3523800 CPU: 10232.2, 0.00294127/step Wall: 10232.2, 0.00294127/step, 1.20609 hours remaining, 207.820312 MB of memory in use. ENERGY: 3523800 736.3459 2178.7652 1965.0204 115.3014 -206098.9110 17935.7237 0.0000 0.0000 34325.6632 -148842.0912 299.7746 -183167.7544 -148755.8957 299.5317 27.4577 63.3632 556639.8394 8.4269 8.4762 PRESSURE: 3524000 12.7603 -77.3344 -220.532 -77.3352 424.349 -26.0512 -220.533 -26.0521 -373.654 GPRESSURE: 3524000 62.4269 28.9071 -216.513 -132.482 434.201 -64.0971 -254.363 10.9618 -341.749 PRESSAVG: 3524000 -45.8852 23.187 -10.1661 23.1871 76.2994 -39.4072 -10.1661 -39.4072 -26.0455 GPRESSAVG: 3524000 -45.2153 24.6384 -12.712 22.723 75.663 -38.8964 -7.32749 -37.7192 -26.5178 TIMING: 3524000 CPU: 10232.8, 0.00296033/step Wall: 10232.8, 0.00296033/step, 1.21374 hours remaining, 207.820312 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: 3524000 726.5938 2129.7154 1952.3579 116.1696 -205894.9946 17623.2044 0.0000 0.0000 34500.6223 -148846.3312 301.3025 -183346.9536 -148751.8495 300.4565 21.1519 51.6263 557540.4683 1.4562 1.3100 PRESSURE: 3524200 0.720054 -12.6982 131.237 -12.6977 185.158 -47.0595 131.237 -47.0598 -158.214 GPRESSURE: 3524200 21.9081 -1.76091 173.565 0.484345 161.414 -67.9666 130.689 -24.8957 -69.6318 PRESSAVG: 3524200 -26.9736 -45.7047 43.943 -45.7047 15.4737 7.61972 43.943 7.61972 -28.3365 GPRESSAVG: 3524200 -27.7048 -47.6166 48.2132 -45.3049 16.5516 7.72674 43.1188 7.55733 -28.4193 TIMING: 3524200 CPU: 10233.4, 0.00294277/step Wall: 10233.4, 0.00294277/step, 1.20637 hours remaining, 207.820312 MB of memory in use. ENERGY: 3524200 744.5178 2118.0201 1981.5308 105.7428 -206089.5710 17896.8786 0.0000 0.0000 34623.4090 -148619.4720 302.3748 -183242.8810 -148525.3423 301.3215 9.2216 37.8967 558578.4326 -13.2788 -13.1908 LDB: ============= START OF LOAD BALANCING ============== 10236.9 LDB: ============== END OF LOAD BALANCING =============== 10236.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10236.9 LDB: ============= START OF LOAD BALANCING ============== 10237.2 LDB: Largest compute 4820 load 0.034155 is 29.0% of average load 0.117808 LDB: Average compute 0.001724 is 1.5% of average load 0.117808 LDB: TIME 10237.2 LOAD: AVG 0.117808 MAX 0.178464 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 10237.2 LOAD: AVG 0.117808 MAX 0.178464 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.68 MB LDB: TIME 10237.2 LOAD: AVG 0.117808 MAX 0.178464 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.68 MB LDB: ============== END OF LOAD BALANCING =============== 10237.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10237.2 PRESSURE: 3524400 66.5175 45.3868 -145.949 45.3865 -55.4949 100.065 -145.949 100.063 -342.4 GPRESSURE: 3524400 85.8062 69.6222 -111.574 -21.6702 -32.8138 65.4101 -133.145 78.6135 -293.783 PRESSAVG: 3524400 12.2634 -27.8548 21.2074 -27.8549 14.6604 -11.7864 21.2075 -11.7864 -58.0846 GPRESSAVG: 3524400 11.6668 -28.148 19.6101 -26.5046 14.2477 -10.9757 21.2456 -14.1241 -56.9647 TIMING: 3524400 CPU: 10234, 0.00300042/step Wall: 10234, 0.00300042/step, 1.22984 hours remaining, 207.355469 MB of memory in use. ENERGY: 3524400 756.3841 2088.8473 1951.4754 105.9951 -205581.9152 17581.8718 0.0000 0.0000 34503.8217 -148593.5198 301.3305 -183097.3415 -148508.2257 301.5801 -110.4591 -80.2636 559790.8952 -10.3869 -10.3501 PRESSURE: 3524600 -136.151 143.627 -107.997 143.627 -1.42375 -118.195 -107.998 -118.195 -87.6268 GPRESSURE: 3524600 -91.3394 153.408 -101.767 129.097 22.3013 -116.499 -167.702 -149.037 -50.4073 PRESSAVG: 3524600 -27.0505 6.1288 -70.6163 6.12881 39.3665 57.8005 -70.6163 57.8007 5.59196 GPRESSAVG: 3524600 -27.3813 7.43672 -71.2695 5.13855 38.897 57.0386 -71.7724 60.1589 6.78393 TIMING: 3524600 CPU: 10234.6, 0.00296314/step Wall: 10234.6, 0.00296314/step, 1.21439 hours remaining, 207.425781 MB of memory in use. ENERGY: 3524600 724.2486 2108.9604 1958.1796 130.4571 -205621.3293 17679.3032 0.0000 0.0000 34475.8247 -148544.3556 301.0860 -183020.1804 -148441.8518 300.6616 -75.0673 -39.8151 559225.3099 5.9693 6.0999 PRESSURE: 3524800 206.213 24.2414 117.676 24.2412 178.265 25.5851 117.675 25.5855 115.493 GPRESSURE: 3524800 216.598 9.62403 51.3487 -53.4576 224.536 19.2848 59.5332 -26.4032 149.395 PRESSAVG: 3524800 -7.46888 -53.1734 -41.8741 -53.1734 -35.7871 -30.8514 -41.8742 -30.8513 22.5125 GPRESSAVG: 3524800 -5.08793 -54.8008 -41.7052 -54.6341 -35.6484 -29.8725 -41.9755 -31.779 20.0858 TIMING: 3524800 CPU: 10235.2, 0.00294201/step Wall: 10235.2, 0.00294201/step, 1.20557 hours remaining, 207.425781 MB of memory in use. ENERGY: 3524800 759.5610 2134.7634 1927.8162 118.0775 -206013.4232 18174.2051 0.0000 0.0000 34321.7279 -148577.2722 299.7402 -182899.0001 -148485.9142 300.5298 166.6570 196.8431 558890.3353 -6.9145 -6.8835 PRESSURE: 3525000 -144.804 -130.242 -130.333 -130.243 159.459 88.4736 -130.332 88.4726 22.2901 GPRESSURE: 3525000 -64.8034 -137.156 -109.589 -110.596 125.263 62.3291 -164.188 148.389 62.655 PRESSAVG: 3525000 -51.5434 -13.2912 9.52368 -13.2912 43.0014 20.7891 9.52361 20.789 -0.305648 GPRESSAVG: 3525000 -51.3839 -14.7493 9.76971 -11.8092 41.7946 19.9125 9.91243 21.3321 0.214696 TIMING: 3525000 CPU: 10235.8, 0.00295255/step Wall: 10235.8, 0.00295255/step, 1.20973 hours remaining, 207.425781 MB of memory in use. ENERGY: 3525000 765.5864 2108.0784 1965.1454 108.7370 -205555.9607 17683.4783 0.0000 0.0000 34451.6238 -148473.3115 300.8746 -182924.9353 -148376.0184 300.6518 12.3150 41.0382 558035.5328 -2.9492 -3.1249 PRESSURE: 3525200 -214.813 90.4369 32.9955 90.4364 62.5616 4.92125 32.9965 4.92176 -166.986 GPRESSURE: 3525200 -132.297 71.3557 79.8188 160.051 97.6961 -38.3328 11.1783 52.4308 -183.719 PRESSAVG: 3525200 52.8217 -17.6106 46.1291 -17.6106 25.9102 -7.22816 46.1292 -7.22831 -77.5694 GPRESSAVG: 3525200 52.6709 -15.9619 45.2925 -17.1587 26.8359 -7.84608 46.101 -5.39747 -78.434 TIMING: 3525200 CPU: 10236.4, 0.00293145/step Wall: 10236.4, 0.00293145/step, 1.20092 hours remaining, 207.628906 MB of memory in use. ENERGY: 3525200 747.2052 2032.1519 1983.1368 111.8621 -205287.1983 17538.9722 0.0000 0.0000 34419.9960 -148453.8742 300.5984 -182873.8702 -148361.2374 301.3507 -106.4125 -72.7731 558639.5044 0.3875 0.3576 PRESSURE: 3525400 -149.477 190.896 -101.004 190.896 -41.1621 -44.9912 -101.004 -44.9906 -290.111 GPRESSURE: 3525400 -96.2994 130.324 -127.195 230.563 -0.263986 -9.09258 -90.1636 -70.1093 -294.703 PRESSAVG: 3525400 -38.5671 28.4238 -5.77455 28.4239 92.5662 4.48238 -5.77453 4.48242 -36.7987 GPRESSAVG: 3525400 -38.0574 27.6409 -5.02424 30.021 91.5042 5.2031 -5.16921 1.70107 -36.3504 TIMING: 3525400 CPU: 10236.9, 0.00291992/step Wall: 10236.9, 0.00291992/step, 1.19603 hours remaining, 207.628906 MB of memory in use. ENERGY: 3525400 722.7967 2014.9459 1953.0940 120.4061 -205281.3874 17471.8717 0.0000 0.0000 34451.0859 -148547.1872 300.8699 -182998.2731 -148444.8073 301.1592 -160.2500 -130.4222 558316.2838 5.7335 5.6988 PRESSURE: 3525600 -172.852 -122.029 -18.3498 -122.029 -217.074 108.297 -18.3501 108.298 -108.021 GPRESSURE: 3525600 -155.882 -72.0455 49.0145 -86.5199 -134.575 56.1973 -139.455 143.612 -100.592 PRESSAVG: 3525600 -48.9592 6.65735 8.46374 6.6574 32.5047 69.6894 8.46371 69.6895 8.09298 GPRESSAVG: 3525600 -49.6874 7.99014 9.69842 5.61641 33.1689 68.2642 8.07763 70.7802 8.12687 TIMING: 3525600 CPU: 10237.5, 0.00292931/step Wall: 10237.5, 0.00292931/step, 1.19971 hours remaining, 207.628906 MB of memory in use. ENERGY: 3525600 777.4755 2064.9889 1966.1647 116.6743 -205577.8104 17511.4709 0.0000 0.0000 34638.7408 -148502.2952 302.5087 -183141.0360 -148404.5292 301.1079 -165.9824 -130.3496 558798.2632 -2.7872 -2.7972 PRESSURE: 3525800 -186.169 -36.2314 -38.697 -36.233 -313.076 -185.92 -38.6968 -185.921 25.6542 GPRESSURE: 3525800 -157.801 -86.3937 -13.5785 -6.02158 -303.416 -183.418 -48.8232 -139.024 71.9002 PRESSAVG: 3525800 -20.9626 -6.83471 24.0478 -6.83474 -16.7999 -18.9128 24.0478 -18.9128 10.284 GPRESSAVG: 3525800 -21.1162 -7.93273 22.3724 -8.24438 -15.913 -17.213 25.3381 -22.3206 9.13715 TIMING: 3525800 CPU: 10238.1, 0.00294227/step Wall: 10238.1, 0.00294227/step, 1.20486 hours remaining, 207.628906 MB of memory in use. ENERGY: 3525800 750.8782 2114.2257 1978.6687 110.6140 -205242.9440 17312.8129 0.0000 0.0000 34387.7179 -148588.0266 300.3165 -182975.7444 -148497.7638 301.7498 -157.8636 -129.7725 558020.0961 -9.1595 -9.2973 PRESSURE: 3526000 -25.0319 -36.309 13.8779 -36.3082 -120.739 157.923 13.878 157.924 -104.239 GPRESSURE: 3526000 -0.0673098 3.33151 105.418 13.3185 -30.9652 134.718 -32.2555 91.9986 -132.78 PRESSAVG: 3526000 -2.93968 4.16343 3.38485 4.1634 8.76451 -25.6553 3.3848 -25.6552 25.2259 GPRESSAVG: 3526000 -2.2164 4.54663 2.7436 4.44035 6.85831 -25.6434 1.544 -24.0022 26.408 TIMING: 3526000 CPU: 10238.7, 0.00294235/step Wall: 10238.7, 0.00294235/step, 1.20473 hours remaining, 207.628906 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: 3526000 780.7600 2038.0730 1973.8710 123.3287 -205634.7328 17685.7662 0.0000 0.0000 34370.2781 -148662.6557 300.1642 -183032.9338 -148557.4215 300.8265 -83.3365 -54.6041 558937.7594 10.3502 10.3500 PRESSURE: 3526200 -123.21 48.6487 33.4312 48.6496 -148.71 -57.1412 33.4312 -57.1427 -59.8984 GPRESSURE: 3526200 -136.599 -35.4137 -17.6312 105.072 -94.0426 -9.91585 -4.62395 -75.7952 -6.06132 PRESSAVG: 3526200 -50.919 -33.9481 52.5147 -33.9481 -21.2988 -35.451 52.5147 -35.4511 62.5195 GPRESSAVG: 3526200 -51.2213 -35.6694 51.6122 -32.2483 -21.7233 -34.2307 54.2304 -35.0703 63.0666 TIMING: 3526200 CPU: 10239.3, 0.0029288/step Wall: 10239.3, 0.0029288/step, 1.19902 hours remaining, 207.628906 MB of memory in use. ENERGY: 3526200 721.8116 2053.7616 1968.4235 113.3897 -205629.3177 17453.6073 0.0000 0.0000 34528.2826 -148790.0414 301.5441 -183318.3241 -148694.2506 300.6282 -110.6061 -78.9008 557401.9518 -3.2328 -3.2927 PRESSURE: 3526400 -355.03 -228.853 27.744 -228.853 -232.282 -47.4649 27.7448 -47.4648 -159.387 GPRESSURE: 3526400 -290.08 -197.383 54.435 -206.31 -194.997 -40.919 25.8471 -113.917 -164.181 PRESSAVG: 3526400 29.6942 -60.6529 -24.2062 -60.6529 19.0765 17.9891 -24.2064 17.9892 -6.03291 GPRESSAVG: 3526400 28.5063 -60.1048 -21.9647 -61.725 19.8757 15.1507 -25.1538 17.844 -5.44109 TIMING: 3526400 CPU: 10239.9, 0.00292857/step Wall: 10239.9, 0.00292857/step, 1.19876 hours remaining, 207.628906 MB of memory in use. ENERGY: 3526400 765.2215 2042.7457 1952.6522 113.2476 -205335.8107 17344.2682 0.0000 0.0000 34079.2820 -149038.3935 297.6228 -183117.6755 -148946.0525 300.1466 -248.8997 -216.4194 557515.0022 14.2460 14.3136 PRESSURE: 3526600 44.0192 80.7657 41.6448 80.765 -78.2021 -81.0475 41.6441 -81.0471 -3.82023 GPRESSURE: 3526600 95.323 197.961 131.482 49.8224 -45.6099 -108.391 -13.3732 -27.5541 1.98283 PRESSAVG: 3526600 49.0086 -58.9747 -22.8741 -58.9747 7.03428 -24.5104 -22.8741 -24.5103 -85.3171 GPRESSAVG: 3526600 49.8498 -56.9448 -23.3006 -60.5949 6.1916 -20.7601 -22.8766 -26.1231 -84.8999 TIMING: 3526600 CPU: 10240.5, 0.0029352/step Wall: 10240.5, 0.0029352/step, 1.20131 hours remaining, 207.628906 MB of memory in use. ENERGY: 3526600 710.4211 2066.7649 1964.0731 114.6475 -205879.1155 17675.3838 0.0000 0.0000 34262.8637 -149084.9613 299.2261 -183347.8251 -148986.6333 299.4971 -12.6677 17.2320 557052.5227 -9.7581 -9.6195 PRESSURE: 3526800 7.29433 -54.5797 115.649 -54.5791 -195.945 60.2779 115.648 60.2781 -217.977 GPRESSURE: 3526800 42.6208 -37.0342 6.0857 -95.9595 -157.214 -62.9746 149.168 136.293 -182.241 PRESSAVG: 3526800 -9.31154 -13.5836 4.04434 -13.5835 -34.3222 1.71064 4.04426 1.71056 54.7237 GPRESSAVG: 3526800 -10.0057 -14.7697 4.59239 -14.3 -32.6336 -1.24005 2.68092 3.10614 53.8147 TIMING: 3526800 CPU: 10241, 0.00290782/step Wall: 10241, 0.00290782/step, 1.18994 hours remaining, 207.687500 MB of memory in use. ENERGY: 3526800 759.1644 2051.7284 1949.2770 106.0348 -205731.8515 17531.6416 0.0000 0.0000 34389.1731 -148944.8323 300.3292 -183334.0054 -148847.6902 299.8555 -135.5425 -98.9447 556605.7734 3.6967 3.7251 PRESSURE: 3527000 -72.0714 36.2927 10.2341 36.2935 54.0798 95.1095 10.234 95.1104 -224.27 GPRESSURE: 3527000 1.12871 10.2932 22.9142 52.4129 -10.9013 42.2892 55.0827 58.0165 -147.502 PRESSAVG: 3527000 32.7214 -26.4679 25.1107 -26.4679 -71.4852 20.4324 25.1107 20.4325 6.24979 GPRESSAVG: 3527000 32.9089 -26.4702 25.7245 -25.2563 -70.9299 20.0413 24.9658 20.5226 5.79716 TIMING: 3527000 CPU: 10241.6, 0.00293749/step Wall: 10241.6, 0.00293749/step, 1.20192 hours remaining, 207.718750 MB of memory in use. ENERGY: 3527000 745.0169 2139.4841 1951.2476 121.6361 -206042.4864 17757.8812 0.0000 0.0000 34226.5833 -149100.6371 298.9093 -183327.2204 -149008.8158 300.1441 -80.7539 -52.4249 558573.7293 -10.8380 -10.7413 PRESSURE: 3527200 -92.8044 -233.815 52.0959 -233.815 -163.152 3.7861 52.0968 3.7883 -58.4771 GPRESSURE: 3527200 -46.5455 -229.501 27.361 -171.211 -119.102 60.3049 56.9571 -5.53112 -50.5631 PRESSAVG: 3527200 22.5378 -52.0211 0.793293 -52.0211 -20.7978 -42.6535 0.793241 -42.6535 -3.93022 GPRESSAVG: 3527200 22.0319 -51.6847 -0.248889 -51.4939 -20.9024 -40.1464 1.77001 -43.0498 -3.35677 TIMING: 3527200 CPU: 10242.2, 0.00295148/step Wall: 10242.2, 0.00295148/step, 1.20748 hours remaining, 207.718750 MB of memory in use. ENERGY: 3527200 765.9680 2100.5240 1966.3239 123.3092 -206015.1934 17617.1961 0.0000 0.0000 34354.9286 -149086.9435 300.0301 -183441.8722 -148981.2147 299.2016 -104.8113 -72.0702 558566.1176 -0.7301 -0.7425 PRESSURE: 3527400 -53.5372 116.345 -337.716 116.344 17.2934 -18.8835 -337.717 -18.8843 16.6248 GPRESSURE: 3527400 -4.60332 110.579 -267.093 2.34521 66.2974 40.6075 -351.908 18.116 16.8867 PRESSAVG: 3527400 -5.07393 21.4229 -60.2209 21.4229 -28.9305 -29.001 -60.2209 -29.001 -19.4408 GPRESSAVG: 3527400 -3.11431 21.0979 -59.972 21.8807 -29.9159 -28.2086 -58.9176 -29.2149 -20.163 TIMING: 3527400 CPU: 10242.8, 0.00295577/step Wall: 10242.8, 0.00295577/step, 1.20908 hours remaining, 207.718750 MB of memory in use. ENERGY: 3527400 765.4012 2093.0497 1962.0962 117.2846 -206204.3710 17944.0123 0.0000 0.0000 34065.6484 -149256.8786 297.5038 -183322.5270 -149160.7844 299.0441 -6.5397 26.1936 558264.6137 -17.8151 -17.7311 PRESSURE: 3527600 -66.8699 -54.7816 -19.5106 -54.7834 262.52 -150.243 -19.5115 -150.244 162.288 GPRESSURE: 3527600 -26.5026 -10.3349 15.2392 -73.6053 284.692 -132.245 33.1372 -203.28 184.385 PRESSAVG: 3527600 31.4811 55.8662 -51.4084 55.8662 -12.051 -16.858 -51.4084 -16.8579 16.8053 GPRESSAVG: 3527600 31.2234 54.51 -53.3909 57.1638 -12.4146 -15.8104 -51.9165 -15.17 17.4497 TIMING: 3527600 CPU: 10243.4, 0.00294219/step Wall: 10243.4, 0.00294219/step, 1.20336 hours remaining, 207.718750 MB of memory in use. ENERGY: 3527600 767.4203 2081.4049 1974.5565 114.1270 -206513.3916 17973.7225 0.0000 0.0000 34428.4239 -149173.7366 300.6720 -183602.1605 -149069.2629 299.2642 119.3126 147.5248 556557.4709 12.0784 12.0862 PRESSURE: 3527800 -87.7748 21.9884 -97.5721 21.9879 -240.701 36.785 -97.5723 36.7846 -264.409 GPRESSURE: 3527800 -82.5135 27.3231 -41.6069 -18.0116 -188.808 -85.3225 -141.063 97.8514 -230.508 PRESSAVG: 3527800 -18.0304 11.1113 -35.0291 11.1113 -5.43056 13.2883 -35.0291 13.2883 57.9573 GPRESSAVG: 3527800 -18.5028 11.8934 -33.1196 10.3302 -5.46495 9.74358 -35.0991 13.7349 59.2572 TIMING: 3527800 CPU: 10244, 0.0029184/step Wall: 10244, 0.00291839/step, 1.19346 hours remaining, 207.718750 MB of memory in use. ENERGY: 3527800 753.8976 2154.3404 1943.8229 129.3386 -205944.3835 17590.9469 0.0000 0.0000 34243.6590 -149128.3781 299.0584 -183372.0371 -149030.8872 299.6917 -197.6284 -167.2766 558314.2710 11.4988 11.7631 PRESSURE: 3528000 -72.0265 96.5417 159.56 96.5416 -86.2607 -37.0051 159.562 -37.0027 -106.553 GPRESSURE: 3528000 -77.8189 97.3307 192.276 116.141 -121.468 29.7892 93.0803 -100.151 18.3604 PRESSAVG: 3528000 5.37805 -40.2824 6.4425 -40.2824 44.1223 -49.9066 6.44254 -49.9066 -27.5438 GPRESSAVG: 3528000 5.6569 -41.4257 6.62376 -41.963 45.4445 -48.9727 6.78314 -50.5655 -29.0581 TIMING: 3528000 CPU: 10244.6, 0.00292676/step Wall: 10244.6, 0.00292676/step, 1.19672 hours remaining, 207.718750 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: 3528000 759.7236 2141.7873 1988.7028 120.4713 -206143.8358 17626.3778 0.0000 0.0000 34226.3908 -149280.3822 298.9076 -183506.7730 -149183.0080 299.7988 -88.2800 -60.3089 556440.0162 7.3189 7.3478 PRESSURE: 3528200 145.048 26.1174 -168.407 26.1175 -176.204 -62.7157 -168.407 -62.7144 53.023 GPRESSURE: 3528200 155.637 125.582 -253.065 1.02308 -149.931 -96.8476 -78.5555 5.47577 108.596 PRESSAVG: 3528200 -8.72974 0.186506 12.0509 0.186521 10.1109 -55.038 12.0509 -55.0381 -7.94819 GPRESSAVG: 3528200 -7.83238 1.05885 10.9329 0.263299 7.35828 -53.7014 13.1159 -55.2874 -5.94097 TIMING: 3528200 CPU: 10245.2, 0.00294288/step Wall: 10245.2, 0.00294288/step, 1.20315 hours remaining, 207.718750 MB of memory in use. ENERGY: 3528200 760.9298 2082.4408 1949.6041 104.2827 -206110.1639 17871.9560 0.0000 0.0000 34078.3843 -149262.5663 297.6150 -183340.9506 -149165.2987 298.6583 7.2888 38.1008 558708.4880 -2.1890 -2.1384 LDB: ============= START OF LOAD BALANCING ============== 10248.6 LDB: ============== END OF LOAD BALANCING =============== 10248.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10248.6 LDB: ============= START OF LOAD BALANCING ============== 10248.9 LDB: Largest compute 4820 load 0.035191 is 29.9% of average load 0.117848 LDB: Average compute 0.001726 is 1.5% of average load 0.117848 LDB: TIME 10248.9 LOAD: AVG 0.117848 MAX 0.177712 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.605 MB LDB: TIME 10248.9 LOAD: AVG 0.117848 MAX 0.177712 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: TIME 10248.9 LOAD: AVG 0.117848 MAX 0.177712 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: ============== END OF LOAD BALANCING =============== 10248.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10248.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3528400 13.8041 -25.77 76.6562 -25.7706 141.936 -171.719 76.6557 -171.718 28.7895 GPRESSURE: 3528400 61.48 -46.1218 42.2859 -21.7119 190.511 -108.107 99.3578 -102.67 40.8235 PRESSAVG: 3528400 -12.9675 9.57115 5.15521 9.57115 -27.3093 -3.80465 5.15516 -3.80453 36.2115 GPRESSAVG: 3528400 -12.8352 9.54775 5.61672 9.62942 -26.3512 -5.16773 3.89505 -4.60331 35.8206 TIMING: 3528400 CPU: 10245.8, 0.00298883/step Wall: 10245.8, 0.00298883/step, 1.22177 hours remaining, 206.957031 MB of memory in use. ENERGY: 3528400 712.9617 2086.1019 1983.7418 117.3297 -206237.0915 17934.4275 0.0000 0.0000 34007.5443 -149394.9846 296.9963 -183402.5289 -149295.2410 298.4562 61.5098 97.6049 559152.1650 -1.3551 -1.1219 PRESSURE: 3528600 41.4845 -57.5966 -38.0138 -57.5962 -36.2919 16.1095 -38.0137 16.1095 -220.904 GPRESSURE: 3528600 7.72073 -28.848 -19.0251 -12.3688 51.4017 8.63376 -104.375 73.8933 -179.186 PRESSAVG: 3528600 -29.6093 3.94973 -11.3168 3.94986 77.3313 -4.25988 -11.3167 -4.25988 -38.3989 GPRESSAVG: 3528600 -30.7391 4.23722 -11.019 4.15298 77.9583 -3.92571 -9.98934 -5.26867 -37.6407 TIMING: 3528600 CPU: 10246.4, 0.00297084/step Wall: 10246.4, 0.00297084/step, 1.21425 hours remaining, 207.101562 MB of memory in use. ENERGY: 3528600 708.2318 2079.2536 1963.5705 126.4700 -206118.9860 17691.0433 0.0000 0.0000 34418.5381 -149131.8788 300.5857 -183550.4169 -149038.5792 299.0685 -71.9037 -40.0212 558766.6752 3.1077 3.1928 PRESSURE: 3528800 137.604 171.038 -16.6717 171.039 -122.975 -101.035 -16.6719 -101.034 -187.799 GPRESSURE: 3528800 106.561 102.602 -95.1399 248.728 -10.8701 -119.771 -51.5346 -98.8465 -190.538 PRESSAVG: 3528800 22.1695 -2.80705 -17.328 -2.80705 19.2357 24.1989 -17.328 24.1989 -41.6191 GPRESSAVG: 3528800 21.8776 -3.72276 -16.687 -4.353 19.7595 24.2842 -18.2274 24.7701 -42.0137 TIMING: 3528800 CPU: 10246.9, 0.00295636/step Wall: 10246.9, 0.00295636/step, 1.20816 hours remaining, 207.304688 MB of memory in use. ENERGY: 3528800 736.2280 2090.1290 1949.9501 110.0907 -205985.3792 17619.2450 0.0000 0.0000 34334.9273 -149144.8092 299.8555 -183479.7365 -149046.3665 299.0314 -57.7235 -31.6156 558514.8619 -0.0713 -0.1256 PRESSURE: 3529000 1.99378 195.667 -23.1006 195.666 111.043 16.3976 -23.1007 16.3963 -118.957 GPRESSURE: 3529000 35.3718 124.855 -18.6178 198.307 141.379 57.6523 9.17818 -51.7511 -79.574 PRESSAVG: 3529000 56.8963 27.6459 -19.6921 27.6458 2.96897 6.05777 -19.6922 6.05778 -42.4236 GPRESSAVG: 3529000 58.039 29.4449 -20.3461 27.7786 2.00183 4.06282 -19.7367 6.90398 -42.2978 TIMING: 3529000 CPU: 10247.5, 0.00294035/step Wall: 10247.5, 0.00294035/step, 1.20146 hours remaining, 207.304688 MB of memory in use. ENERGY: 3529000 730.9852 2078.3791 1948.6692 107.5958 -206119.9275 17867.7978 0.0000 0.0000 34376.9776 -149009.5228 300.2227 -183386.5005 -148910.2020 298.8947 -1.9736 32.3923 556334.3919 5.8139 5.9143 PRESSURE: 3529200 -129.281 -26.0552 -47.4295 -26.0545 -74.1723 -27.1449 -47.43 -27.1433 -246.681 GPRESSURE: 3529200 -80.5932 -98.9487 -50.5147 -2.88268 -29.358 -100.567 -52.8291 -43.5261 -250.554 PRESSAVG: 3529200 31.7907 -13.8855 33.3615 -13.8856 1.0162 8.92078 33.3614 8.92079 -73.2328 GPRESSAVG: 3529200 32.1986 -16.5327 34.2306 -10.3015 1.1661 10.013 33.4214 8.93758 -73.7946 TIMING: 3529200 CPU: 10248.1, 0.0029379/step Wall: 10248.1, 0.0029379/step, 1.20029 hours remaining, 207.304688 MB of memory in use. ENERGY: 3529200 751.1670 2109.3294 1954.1267 107.9813 -205837.4741 17711.7441 0.0000 0.0000 34286.8175 -148916.3081 299.4353 -183203.1256 -148818.3634 300.1091 -150.0448 -120.1684 557909.8006 -13.4753 -13.4767 PRESSURE: 3529400 17.0497 153.798 -30.5146 153.797 121.076 -10.2107 -30.5147 -10.2109 -231.864 GPRESSURE: 3529400 24.5117 69.1185 -61.6445 139.556 149.6 43.7869 -24.776 24.8301 -186.921 PRESSAVG: 3529400 -6.55876 19.8731 24.0077 19.8732 61.2914 46.6467 24.0076 46.6467 -73.7225 GPRESSAVG: 3529400 -7.77042 20.5285 22.5926 19.7953 61.9671 47.5206 24.4037 44.737 -73.5688 TIMING: 3529400 CPU: 10248.7, 0.00294158/step Wall: 10248.7, 0.00294158/step, 1.20163 hours remaining, 207.304688 MB of memory in use. ENERGY: 3529400 717.4603 2107.5365 1972.5824 118.2208 -205789.9931 17653.7872 0.0000 0.0000 34348.3992 -148872.0066 299.9731 -183220.4059 -148774.9152 300.4663 -31.2460 -4.2698 556764.6579 -6.3299 -6.4574 PRESSURE: 3529600 -127.611 -31.5045 58.8763 -31.5041 280.081 -50.7346 58.8762 -50.7336 -54.9733 GPRESSURE: 3529600 -106.427 -25.6675 76.5452 -32.1317 289.306 -56.2434 35.0063 -38.5063 1.03321 PRESSAVG: 3529600 -53.3525 -3.72007 -3.9657 -3.72002 41.4084 23.2055 -3.96577 23.2054 25.7447 GPRESSAVG: 3529600 -52.3811 -2.05058 -3.86662 -5.23301 41.0033 23.8383 -5.44484 23.0327 25.7161 TIMING: 3529600 CPU: 10249.3, 0.00294525/step Wall: 10249.3, 0.00294525/step, 1.20297 hours remaining, 207.304688 MB of memory in use. ENERGY: 3529600 768.7476 2099.8601 1993.7916 111.6974 -206113.8968 17859.3241 0.0000 0.0000 34257.7246 -149022.7514 299.1812 -183280.4760 -148928.1537 300.2268 32.4988 61.3042 557644.0216 4.6002 4.7795 PRESSURE: 3529800 -0.8174 10.1276 313.1 10.1276 317.265 38.8308 313.1 38.83 8.43808 GPRESSURE: 3529800 22.6461 19.2375 289.179 23.7858 349.454 24.8452 230.381 68.8084 43.815 PRESSAVG: 3529800 -14.3016 27.679 10.0297 27.6791 38.8667 -27.803 10.0296 -27.8031 -32.8945 GPRESSAVG: 3529800 -14.4434 27.6805 11.9826 28.329 39.9174 -30.0923 10.8785 -26.1512 -33.8317 TIMING: 3529800 CPU: 10249.9, 0.00293676/step Wall: 10249.9, 0.00293676/step, 1.19934 hours remaining, 207.304688 MB of memory in use. ENERGY: 3529800 712.5931 2065.6171 1966.0155 117.9161 -206284.4943 18044.0837 0.0000 0.0000 34255.6113 -149122.6576 299.1628 -183378.2689 -149025.4523 299.7244 108.2952 138.6382 558449.8054 -2.7765 -2.7859 PRESSURE: 3530000 -145.386 -146.89 11.2012 -146.889 -98.4442 -91.2487 11.2027 -91.2493 -3.36597 GPRESSURE: 3530000 -94.4572 -119.472 -3.21794 -211.383 -102.381 -41.5012 21.6562 -49.376 44.3853 PRESSAVG: 3530000 19.5946 -22.6358 9.14948 -22.6358 33.648 -1.26197 9.14938 -1.26196 12.5353 GPRESSAVG: 3530000 20.3392 -22.5237 6.66498 -22.1835 32.6459 0.0704503 9.64207 -3.33089 13.2021 TIMING: 3530000 CPU: 10250.5, 0.00296587/step Wall: 10250.5, 0.00296587/step, 1.21106 hours remaining, 207.304688 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: 3530000 727.3314 2126.3299 1950.7298 112.4556 -205996.8115 17791.8761 0.0000 0.0000 34289.5336 -148998.5552 299.4590 -183288.0887 -148902.7963 299.9268 -82.3987 -50.8177 557721.0762 21.9260 22.0624 PRESSURE: 3530200 204.128 12.9339 52.7432 12.9334 111.654 -61.5361 52.7442 -61.5344 -71.0041 GPRESSURE: 3530200 235.555 21.3194 106.179 17.8373 96.9069 -66.446 -38.5328 -111.943 -7.79988 PRESSAVG: 3530200 75.5448 -1.71816 5.43144 -1.71815 -16.441 3.56402 5.43155 3.56415 8.82845 GPRESSAVG: 3530200 75.4594 -4.30366 6.1442 -0.593936 -17.4091 3.59353 4.94817 4.62659 9.58327 TIMING: 3530200 CPU: 10251.1, 0.00296176/step Wall: 10251.1, 0.00296176/step, 1.20922 hours remaining, 207.304688 MB of memory in use. ENERGY: 3530200 722.5855 2053.0666 1970.3039 125.9767 -206110.4861 17945.5159 0.0000 0.0000 34275.4294 -149017.6082 299.3358 -183293.0376 -148927.0409 300.2109 81.5926 108.2208 556841.0962 22.6441 22.5445 PRESSURE: 3530400 -41.6774 158.838 52.4653 158.837 -234.568 -91.6411 52.4644 -91.6409 -4.61151 GPRESSURE: 3530400 23.0066 217.909 85.7691 69.2855 -186.761 -113.539 -6.49852 -194.354 -20.8715 PRESSAVG: 3530400 -1.5019 -9.18753 -26.9701 -9.18762 34.5813 -3.14348 -26.97 -3.14355 8.74557 GPRESSAVG: 3530400 -2.40189 -5.29328 -26.6189 -13.0155 37.0819 -4.56345 -25.7801 -1.85913 7.44216 TIMING: 3530400 CPU: 10251.7, 0.00294973/step Wall: 10251.7, 0.00294973/step, 1.20415 hours remaining, 207.304688 MB of memory in use. ENERGY: 3530400 725.8269 2108.7988 1992.5464 104.8975 -206031.7332 17596.7533 0.0000 0.0000 34482.4897 -149020.4207 301.1442 -183502.9105 -148927.8534 300.0547 -93.6189 -61.5421 557915.2357 13.9416 14.0407 PRESSURE: 3530600 137.71 174.194 -194.385 174.193 -7.57704 135.068 -194.385 135.068 -136.596 GPRESSURE: 3530600 193.984 117.437 -283.939 162.782 -16.3671 106.192 -144.715 63.5526 -78.3252 PRESSAVG: 3530600 18.9385 60.7051 -28.7122 60.7051 -20.8317 -23.8007 -28.7122 -23.8006 -56.4399 GPRESSAVG: 3530600 20.7058 57.3792 -30.3516 61.3227 -22.5914 -24.3165 -29.0672 -25.048 -55.3277 TIMING: 3530600 CPU: 10252.3, 0.00296053/step Wall: 10252.3, 0.00296053/step, 1.20839 hours remaining, 207.304688 MB of memory in use. ENERGY: 3530600 725.7904 2060.3848 1989.2569 122.2359 -206172.3285 17779.5196 0.0000 0.0000 34394.6739 -149100.4669 300.3772 -183495.1408 -149011.1848 300.0064 -2.1544 33.0973 558339.5275 -19.4444 -19.0711 PRESSURE: 3530800 -64.6156 -48.7988 67.4509 -48.798 -207.755 -55.991 67.45 -55.9913 218.445 GPRESSURE: 3530800 -27.4976 -80.183 109.234 -78.0377 -102.793 -102.866 59.065 -44.3843 164.695 PRESSAVG: 3530800 47.1284 41.3518 -4.03186 41.3519 -52.1751 -12.6768 -4.03193 -12.6768 42.2106 GPRESSAVG: 3530800 46.9361 43.1687 -1.87345 42.648 -50.4772 -10.5628 -6.08623 -11.4549 40.4426 TIMING: 3530800 CPU: 10252.8, 0.00294798/step Wall: 10252.8, 0.00294798/step, 1.2031 hours remaining, 207.304688 MB of memory in use. ENERGY: 3530800 754.8782 2074.3677 1950.2388 125.1611 -206245.7328 17781.7916 0.0000 0.0000 34415.6777 -149143.6178 300.5607 -183559.2954 -149057.2380 299.2224 -17.9750 11.4682 557762.4815 12.3880 12.3005 PRESSURE: 3531000 116.642 33.7061 -72.6545 33.7048 141.393 10.919 -72.6548 10.9191 41.5689 GPRESSURE: 3531000 141.026 18.4273 -162.494 87.0663 169.234 24.4098 -6.49639 -95.3566 83.044 PRESSAVG: 3531000 12.26 11.5553 -108.709 11.5552 -3.62822 58.155 -108.709 58.1549 -26.5006 GPRESSAVG: 3531000 11.5985 11.0353 -111.176 11.2203 -4.32112 57.6778 -105.844 54.8558 -24.5589 TIMING: 3531000 CPU: 10253.4, 0.00293471/step Wall: 10253.4, 0.00293471/step, 1.19752 hours remaining, 207.304688 MB of memory in use. ENERGY: 3531000 730.7063 2071.8547 1941.7800 110.3246 -205969.0886 17817.1000 0.0000 0.0000 34339.6957 -148957.6274 299.8971 -183297.3231 -148863.2314 299.0445 99.8681 131.1012 557373.5926 -5.9563 -5.7605 PRESSURE: 3531200 -400.285 65.7173 55.0063 65.7172 -90.0821 33.4215 55.0071 33.4195 -139.593 GPRESSURE: 3531200 -389.642 53.604 81.4907 206.373 -69.3321 -36.1886 -35.1967 23.2864 -78.8199 PRESSAVG: 3531200 -70.5183 11.4616 -24.479 11.4618 62.8256 29.4751 -24.479 29.475 39.9696 GPRESSAVG: 3531200 -71.7964 12.207 -24.1768 11.7293 62.8563 28.6288 -24.4139 31.0996 41.0546 TIMING: 3531200 CPU: 10254, 0.00293329/step Wall: 10254, 0.00293329/step, 1.19678 hours remaining, 207.304688 MB of memory in use. ENERGY: 3531200 732.6535 2070.1394 1931.6393 119.3961 -205658.8765 17404.0601 0.0000 0.0000 34435.2347 -148965.7533 300.7315 -183400.9880 -148868.8409 299.5977 -209.9869 -179.2646 558288.0843 10.7590 10.7048 PRESSURE: 3531400 -83.2237 -75.5697 123.049 -75.5706 131.122 125.773 123.049 125.772 118.285 GPRESSURE: 3531400 -85.5834 -51.2416 160.178 -90.8112 168.828 179.401 98.1898 84.4753 169.488 PRESSAVG: 3531400 -25.6977 24.4283 52.6458 24.4282 11.8428 61.2007 52.6457 61.2008 12.5573 GPRESSAVG: 3531400 -24.9075 22.3202 53.4365 25.7213 10.9817 62.2874 50.0859 60.5217 11.8643 TIMING: 3531400 CPU: 10254.6, 0.00294191/step Wall: 10254.6, 0.00294191/step, 1.20013 hours remaining, 207.304688 MB of memory in use. ENERGY: 3531400 762.7733 2125.0763 1977.6994 105.2324 -206434.6933 17973.8539 0.0000 0.0000 34579.0422 -148911.0157 301.9874 -183490.0579 -148816.9133 300.0889 55.3943 84.2444 556715.7179 -0.4325 -0.6872 PRESSURE: 3531600 299.064 -48.4212 99.9274 -48.4216 -240.683 166.159 99.9277 166.159 1.73947 GPRESSURE: 3531600 357.036 -75.2405 116.552 27.9424 -253.965 106.602 176.18 249.603 37.0831 PRESSAVG: 3531600 -5.84629 0.697681 2.15769 0.697649 -63.753 2.08652 2.15775 2.08664 39.9327 GPRESSAVG: 3531600 -5.56023 0.885779 2.70592 0.496016 -64.2964 0.554059 3.85073 3.05571 39.832 TIMING: 3531600 CPU: 10255.2, 0.00295602/step Wall: 10255.2, 0.00295602/step, 1.20573 hours remaining, 207.304688 MB of memory in use. ENERGY: 3531600 787.5888 2081.0025 1930.6449 111.7869 -206234.4855 18112.2267 0.0000 0.0000 34276.2182 -148935.0175 299.3427 -183211.2357 -148839.9793 299.7946 20.0402 46.7179 558906.4572 -9.8888 -10.0082 PRESSURE: 3531800 15.1339 23.0793 97.3659 23.0802 -383.022 271.657 97.3672 271.659 176.591 GPRESSURE: 3531800 54.559 15.9333 132.832 93.6581 -328.049 186.06 64.4301 293.847 183.11 PRESSAVG: 3531800 -41.6014 54.0315 37.9559 54.0314 -11.3567 -14.6778 37.9559 -14.6777 50.7606 GPRESSAVG: 3531800 -41.0032 55.2686 37.9092 54.4682 -12.2554 -13.7373 37.3471 -13.8436 51.2984 TIMING: 3531800 CPU: 10255.8, 0.00293852/step Wall: 10255.8, 0.00293852/step, 1.19843 hours remaining, 207.304688 MB of memory in use. ENERGY: 3531800 710.4582 2111.3943 1965.0260 116.3399 -205797.3235 17622.7690 0.0000 0.0000 34372.2542 -148899.0821 300.1814 -183271.3363 -148798.6701 299.7745 -63.7659 -30.1267 560086.1201 -0.7325 -0.6534 PRESSURE: 3532000 -2.81834 77.9548 42.2202 77.9547 -284.165 -107.507 42.2198 -107.51 -14.3006 GPRESSURE: 3532000 -20.5362 24.0281 56.2329 43.8958 -217.894 -123.794 87.0003 -107.655 44.9746 PRESSAVG: 3532000 43.4797 -17.7305 22.6573 -17.7305 -70.9569 37.4983 22.6572 37.4982 -24.0623 GPRESSAVG: 3532000 42.1617 -17.9353 23.4484 -19.1798 -68.3853 36.7789 20.7678 36.8503 -25.2676 TIMING: 3532000 CPU: 10256.4, 0.00295616/step Wall: 10256.4, 0.00295616/step, 1.20546 hours remaining, 207.304688 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: 3532000 700.5938 2088.8056 1994.4544 115.5973 -205628.9748 17532.8293 0.0000 0.0000 34440.2586 -148756.4358 300.7753 -183196.6945 -148656.8482 300.2752 -100.4280 -64.4850 559729.0331 -17.1798 -17.1637 PRESSURE: 3532200 -175.64 -79.3484 100.623 -79.3493 -39.8591 -13.9654 100.622 -13.9648 -293.3 GPRESSURE: 3532200 -198.427 0.820022 98.1797 -103.533 -23.2477 25.5181 123.24 28.2776 -192.957 PRESSAVG: 3532200 -34.9672 -76.0228 55.4193 -76.0228 48.2629 -6.1208 55.4194 -6.12086 33.2452 GPRESSAVG: 3532200 -34.0711 -74.4762 55.6407 -75.0667 47.0114 -5.07605 56.0084 -6.56891 33.1783 TIMING: 3532200 CPU: 10257, 0.00294312/step Wall: 10257, 0.00294312/step, 1.19998 hours remaining, 207.304688 MB of memory in use. ENERGY: 3532200 748.6178 2111.1626 1988.1389 106.1492 -205681.5484 17629.2515 0.0000 0.0000 34220.6397 -148877.5887 298.8574 -183098.2284 -148789.4697 300.0889 -169.5999 -138.2108 560384.0361 15.5136 15.3729 LDB: ============= START OF LOAD BALANCING ============== 10260.4 LDB: ============== END OF LOAD BALANCING =============== 10260.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10260.4 LDB: ============= START OF LOAD BALANCING ============== 10260.7 LDB: Largest compute 4820 load 0.033807 is 28.7% of average load 0.117833 LDB: Average compute 0.001729 is 1.5% of average load 0.117833 LDB: TIME 10260.7 LOAD: AVG 0.117833 MAX 0.178253 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.164 MB LDB: TIME 10260.7 LOAD: AVG 0.117833 MAX 0.178253 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: TIME 10260.7 LOAD: AVG 0.117833 MAX 0.178253 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: ============== END OF LOAD BALANCING =============== 10260.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10260.7 PRESSURE: 3532400 56.9633 -189.289 -36.1093 -189.288 -22.3528 -55.0343 -36.1083 -55.0346 -135.1 GPRESSURE: 3532400 119.733 -211.193 -25.0777 -252.004 -18.7053 -31.0813 -59.912 -38.2101 -106.289 PRESSAVG: 3532400 -56.6697 -29.7393 -34.6329 -29.7393 54.0688 2.7086 -34.6329 2.70852 -3.0487 GPRESSAVG: 3532400 -57.1583 -32.2584 -36.6805 -30.264 53.4174 -0.153191 -34.8094 5.13604 -2.11105 TIMING: 3532400 CPU: 10257.6, 0.00298886/step Wall: 10257.6, 0.00298886/step, 1.21846 hours remaining, 208.125000 MB of memory in use. ENERGY: 3532400 730.7259 2095.9222 1982.2570 126.4475 -206046.7675 17700.9257 0.0000 0.0000 34568.5823 -148841.9070 301.8960 -183410.4893 -148741.8866 299.7847 -33.4964 -1.7535 558166.1926 -1.8832 -1.9507 PRESSURE: 3532600 -115.847 321.39 -73.5071 321.389 -167.022 -9.89524 -73.5077 -9.89408 340.639 GPRESSURE: 3532600 -139.485 269.826 -119.625 359.03 -101.017 -20.6672 -68.7226 53.5548 403.199 PRESSAVG: 3532600 23.6012 5.54757 7.11246 5.54754 -90.605 -32.2913 7.11247 -32.2913 63.2111 GPRESSAVG: 3532600 23.2748 5.21285 6.91201 7.19066 -89.4741 -31.077 9.35114 -34.2253 62.415 TIMING: 3532600 CPU: 10258.2, 0.00297974/step Wall: 10258.2, 0.00297974/step, 1.21458 hours remaining, 208.125000 MB of memory in use. ENERGY: 3532600 675.7592 2113.9120 1937.9000 118.4169 -205930.3447 17710.8792 0.0000 0.0000 34497.0321 -148876.4452 301.2712 -183373.4773 -148781.7166 300.9220 19.2568 54.2325 557481.3282 -1.2642 -1.2614 PRESSURE: 3532800 -2.28054 -31.3833 -94.822 -31.3843 118.462 -25.0358 -94.8209 -25.0361 148.045 GPRESSURE: 3532800 46.9185 8.8415 -102.545 11.8933 147.096 -22.6437 -46.8316 43.2576 168.231 PRESSAVG: 3532800 3.97943 -25.8201 2.49362 -25.8202 38.2517 21.0532 2.49359 21.0531 44.2868 GPRESSAVG: 3532800 4.54702 -26.336 3.61208 -25.4626 37.4672 22.8528 2.52855 19.9598 44.3907 TIMING: 3532800 CPU: 10258.7, 0.00296278/step Wall: 10258.7, 0.00296278/step, 1.2075 hours remaining, 208.125000 MB of memory in use. ENERGY: 3532800 725.6280 2120.8181 1963.2159 116.5453 -206328.9762 18064.3461 0.0000 0.0000 34403.7013 -148934.7215 300.4561 -183338.4228 -148842.1929 300.4055 88.0756 120.7484 557232.2244 28.8393 28.8016 PRESSURE: 3533000 118.818 100.247 19.9706 100.246 -100.378 -59.3114 19.9687 -59.3113 56.1546 GPRESSURE: 3533000 173.7 19.4189 22.2771 110.421 0.902528 13.1786 61.5401 -137.835 5.9643 PRESSAVG: 3533000 -17.4245 25.1456 23.5999 25.1456 2.51933 -33.5247 23.6 -33.5247 -25.3999 GPRESSAVG: 3533000 -16.5323 27.4348 25.1842 22.6165 2.44602 -33.7971 21.9828 -32.4986 -25.6434 TIMING: 3533000 CPU: 10259.3, 0.00292592/step Wall: 10259.3, 0.00292592/step, 1.19231 hours remaining, 208.125000 MB of memory in use. ENERGY: 3533000 743.4018 2078.8389 1939.3677 112.6913 -206055.6998 17770.7573 0.0000 0.0000 34413.8506 -148996.7922 300.5447 -183410.6428 -148896.6957 299.8906 24.8647 60.1890 556498.8780 -13.4350 -13.2432 PRESSURE: 3533200 -212.379 -20.7718 -51.3714 -20.7724 -30.4115 -114.238 -51.3718 -114.238 75.4038 GPRESSURE: 3533200 -213.158 0.88655 -94.1324 -41.2502 11.2787 -164.211 -23.9968 -44.3235 135.033 PRESSAVG: 3533200 20.9219 -15.8422 13.6732 -15.842 -21.2045 -14.2891 13.6732 -14.2891 1.8474 GPRESSAVG: 3533200 19.8989 -16.6012 13.535 -14.926 -22.081 -16.2388 13.5787 -11.5248 3.44832 TIMING: 3533200 CPU: 10259.9, 0.00293812/step Wall: 10259.9, 0.00293812/step, 1.19712 hours remaining, 208.125000 MB of memory in use. ENERGY: 3533200 734.2638 2041.9852 1979.8911 110.0280 -205727.6831 17550.8479 0.0000 0.0000 34506.1113 -148804.5559 301.3505 -183310.6672 -148704.4578 300.3701 -55.7957 -22.2820 557091.5661 0.5216 0.4221 PRESSURE: 3533400 -341.632 58.0925 74.0312 58.0913 -40.2748 -82.0599 74.0323 -82.0591 -137.569 GPRESSURE: 3533400 -310.949 -18.4003 -17.8848 65.165 19.3879 -63.4567 58.4073 -85.7223 -130.754 PRESSAVG: 3533400 -70.4875 -24.5955 -13.746 -24.5955 -5.86219 -50.1428 -13.7459 -50.1428 45.996 GPRESSAVG: 3533400 -70.1005 -25.0753 -16.3308 -25.0241 -6.16106 -48.1634 -12.8072 -52.6433 45.6776 TIMING: 3533400 CPU: 10260.5, 0.00293389/step Wall: 10260.5, 0.00293389/step, 1.19523 hours remaining, 208.125000 MB of memory in use. ENERGY: 3533400 754.3693 2101.2769 1956.1608 113.8982 -205322.5197 17250.6659 0.0000 0.0000 34330.0105 -148816.1381 299.8125 -183146.1486 -148722.1395 300.1304 -173.1583 -140.7717 556967.7415 -10.1179 -10.1947 PRESSURE: 3533600 128.444 57.0908 220.843 57.0907 -12.3963 71.9202 220.842 71.9204 -207.879 GPRESSURE: 3533600 150.553 87.4452 167.019 82.4792 5.10405 59.2174 230.707 56.671 -157.322 PRESSAVG: 3533600 -24.4235 -1.41056 14.5017 -1.41053 7.85738 -47.5185 14.5018 -47.5184 51.5787 GPRESSAVG: 3533600 -25.009 -0.0037785 15.4405 -1.12149 9.59236 -48.2558 13.8606 -47.6465 50.5095 TIMING: 3533600 CPU: 10261.1, 0.00293287/step Wall: 10261.1, 0.00293287/step, 1.19465 hours remaining, 208.125000 MB of memory in use. ENERGY: 3533600 747.9082 2103.9075 1951.4578 103.5371 -205554.8415 17559.7443 0.0000 0.0000 34307.5868 -148780.6999 299.6167 -183088.2867 -148688.3207 300.0969 -30.6105 -0.5551 557049.4171 11.6708 11.6976 PRESSURE: 3533800 55.007 -87.0416 6.59918 -87.0437 -252.618 127.758 6.60003 127.757 161.659 GPRESSURE: 3533800 38.7085 -95.2703 51.5147 -114.305 -192.082 144.383 -9.06301 84.0357 207.625 PRESSAVG: 3533800 -20.7504 24.2975 -3.22624 24.2975 7.68178 5.60471 -3.22626 5.6047 23.5053 GPRESSAVG: 3533800 -19.0949 23.184 -2.4198 25.8574 5.29034 4.70715 -4.05855 6.64931 24.0935 TIMING: 3533800 CPU: 10261.7, 0.00293183/step Wall: 10261.7, 0.00293183/step, 1.19407 hours remaining, 208.125000 MB of memory in use. ENERGY: 3533800 760.0740 2089.9929 1971.7680 115.3379 -206014.1241 17769.7854 0.0000 0.0000 34356.9221 -148950.2438 300.0475 -183307.1659 -148855.4139 300.6514 -11.9839 18.0837 556068.4901 3.4789 3.4296 PRESSURE: 3534000 -8.49931 -10.9883 -42.5241 -10.9892 20.3105 158.371 -42.5237 158.372 -123.416 GPRESSURE: 3534000 -72.8869 -49.2146 17.6332 62.7069 124.589 242.788 -82.2704 32.7108 -68.5741 PRESSAVG: 3534000 27.518 -18.7747 14.6478 -18.7747 -32.2364 45.3972 14.6478 45.3972 50.2472 GPRESSAVG: 3534000 26.3313 -17.3036 15.8816 -21.5132 -30.3395 46.0381 15.0979 45.323 49.6051 TIMING: 3534000 CPU: 10262.3, 0.00292165/step Wall: 10262.3, 0.00292165/step, 1.18976 hours remaining, 208.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3534000 741.5935 2092.7194 1958.9828 123.2363 -205859.8572 17605.9385 0.0000 0.0000 34188.8997 -149148.4871 298.5802 -183337.3868 -149054.9810 299.7550 -37.2018 -5.6241 558152.7892 15.1763 15.1990 PRESSURE: 3534200 -137.117 -42.5923 -171.129 -42.5947 -183.253 30.3987 -171.131 30.3978 -307.048 GPRESSURE: 3534200 -80.2706 31.5726 -136.873 -67.7857 -142.329 6.51254 -160.98 87.5106 -301.728 PRESSAVG: 3534200 32.1266 -33.4012 -44.8577 -33.4012 12.7723 59.7529 -44.8577 59.7527 -17.4106 GPRESSAVG: 3534200 32.1502 -32.632 -46.9242 -32.0056 12.6319 60.4888 -43.2024 61.6161 -16.8701 TIMING: 3534200 CPU: 10262.8, 0.00292381/step Wall: 10262.8, 0.00292381/step, 1.19048 hours remaining, 208.125000 MB of memory in use. ENERGY: 3534200 753.0208 2154.9071 1979.8822 111.4191 -205683.6816 17630.7421 0.0000 0.0000 33945.5891 -149108.1212 296.4553 -183053.7103 -149016.2845 298.9680 -209.1396 -174.7758 560380.2257 9.1628 9.3040 PRESSURE: 3534400 -88.6652 -18.5931 3.38889 -18.5924 -24.6444 -102.77 3.38984 -102.768 27.451 GPRESSURE: 3534400 -53.6356 -13.1106 -71.2986 19.3454 17.7308 -43.8141 32.9526 -91.8856 34.9881 PRESSAVG: 3534400 18.5447 31.9724 -49.6 31.9723 -22.3312 -46.5865 -49.5999 -46.5864 29.2747 GPRESSAVG: 3534400 19.1143 31.2737 -49.0515 32.8196 -22.3663 -45.5991 -51.0663 -48.4509 29.0211 TIMING: 3534400 CPU: 10263.4, 0.0029171/step Wall: 10263.4, 0.0029171/step, 1.18758 hours remaining, 208.125000 MB of memory in use. ENERGY: 3534400 752.6368 2039.2284 1930.0422 117.4525 -206165.3061 17955.9832 0.0000 0.0000 34163.3444 -149206.6186 298.3570 -183369.9630 -149117.6186 299.2279 -28.6195 -0.3056 557826.2173 8.4961 8.5897 PRESSURE: 3534600 -147.636 -186.495 25.2093 -186.494 -202.143 48.3712 25.2099 48.3717 -365.547 GPRESSURE: 3534600 -104.153 -213.57 -19.5182 -152.967 -188.791 112.978 43.8901 -24.5487 -326.875 PRESSAVG: 3534600 -45.4612 -14.2141 -8.43782 -14.214 12.0146 5.32269 -8.43771 5.32275 13.1624 GPRESSAVG: 3534600 -44.3386 -15.9326 -9.32661 -15.2684 11.4104 5.14696 -7.16353 4.72531 12.9268 TIMING: 3534600 CPU: 10264, 0.00292428/step Wall: 10264, 0.00292428/step, 1.19034 hours remaining, 208.125000 MB of memory in use. ENERGY: 3534600 776.7278 2131.4532 1933.4607 117.0146 -205970.5001 17617.8139 0.0000 0.0000 34051.9901 -149342.0397 297.3845 -183394.0299 -149246.7405 299.2119 -238.4417 -206.6063 558750.0648 -6.7614 -6.6671 PRESSURE: 3534800 39.8579 142.412 -171.002 142.411 -164.423 -68.9765 -171.002 -68.9766 73.5682 GPRESSURE: 3534800 102.42 145.684 -193.683 93.2692 -142.216 -98.0746 -215 -138.927 87.6967 PRESSAVG: 3534800 40.4171 -3.52639 -19.7355 -3.52635 4.98788 -14.6619 -19.7355 -14.662 -45.8564 GPRESSAVG: 3534800 40.832 -4.19746 -18.4858 -4.89628 4.5725 -15.6862 -20.1317 -15.6644 -45.8301 TIMING: 3534800 CPU: 10264.6, 0.00291539/step Wall: 10264.6, 0.00291539/step, 1.18656 hours remaining, 208.125000 MB of memory in use. ENERGY: 3534800 746.1109 2058.7797 1964.5962 117.9925 -206477.7945 17805.4751 0.0000 0.0000 34510.0048 -149274.8352 301.3845 -183784.8400 -149176.5640 299.2360 -16.9991 15.9672 556220.6705 -0.1505 -0.1419 PRESSURE: 3535000 223.192 -193.105 112.807 -193.104 12.3142 24.6407 112.806 24.6387 40.3449 GPRESSURE: 3535000 250.839 -147.669 84.6257 -217.865 46.644 53.8078 150.196 56.3006 81.4789 PRESSAVG: 3535000 -38.6038 16.7366 -30.0869 16.7366 5.97522 13.4254 -30.087 13.4253 4.66344 GPRESSAVG: 3535000 -41.038 19.5959 -29.2002 17.1405 6.68944 14.3922 -28.9241 15.0815 6.00003 TIMING: 3535000 CPU: 10265.2, 0.00292054/step Wall: 10265.2, 0.00292054/step, 1.1885 hours remaining, 208.125000 MB of memory in use. ENERGY: 3535000 758.6318 2139.5158 1968.9512 121.4938 -206263.2594 17922.5083 0.0000 0.0000 34088.6707 -149263.4878 297.7048 -183352.1585 -149166.5865 298.6170 91.9503 126.3206 556804.5034 -9.3217 -9.4495 PRESSURE: 3535200 -184.656 88.1257 181.796 88.1255 106.059 -54.7637 181.796 -54.7618 33.8352 GPRESSURE: 3535200 -95.8565 43.4346 247.448 68.7109 138.634 -129.064 139.086 -14.9976 10.3773 PRESSAVG: 3535200 74.2871 41.9447 33.625 41.9447 -4.1305 -13.1356 33.625 -13.1357 -24.409 GPRESSAVG: 3535200 75.4806 40.37 30.7893 42.6145 -4.00451 -15.5004 33.6247 -13.0649 -25.0343 TIMING: 3535200 CPU: 10265.8, 0.00288632/step Wall: 10265.8, 0.00288632/step, 1.17441 hours remaining, 208.125000 MB of memory in use. ENERGY: 3535200 744.4890 2033.5648 1961.2235 111.8308 -206059.5220 17645.6953 0.0000 0.0000 34373.2094 -149189.5092 300.1898 -183562.7186 -149090.6273 298.7983 -14.9205 17.7184 557045.0311 15.2492 15.4806 PRESSURE: 3535400 -55.0486 73.8554 48.555 73.8553 -120.906 24.6662 48.5553 24.6659 21.4412 GPRESSURE: 3535400 14.6079 41.9601 70.0984 69.137 -94.9671 -0.51123 148.992 92.4677 35.7087 PRESSAVG: 3535400 -0.641929 24.6891 -11.7745 24.6891 -7.5744 -17.2357 -11.7744 -17.2357 34.7948 GPRESSAVG: 3535400 -0.414379 23.2412 -8.3068 24.2867 -7.41265 -17.4163 -13.7838 -15.5457 34.6247 TIMING: 3535400 CPU: 10266.3, 0.00292652/step Wall: 10266.3, 0.00292652/step, 1.1906 hours remaining, 208.125000 MB of memory in use. ENERGY: 3535400 689.5719 2107.2859 1939.4612 119.7685 -206344.5449 17755.8514 0.0000 0.0000 34377.0882 -149355.5179 300.2237 -183732.6061 -149259.4169 298.9341 -51.5043 -14.8835 557732.1419 8.8595 8.9326 PRESSURE: 3535600 -43.7332 -73.4074 51.5633 -73.4059 217.721 -133.343 51.5621 -133.342 3.12266 GPRESSURE: 3535600 -33.0259 -84.0235 -49.2601 -48.0079 226.972 -154.249 124.283 -230.477 77.5015 PRESSAVG: 3535600 -19.1458 -29.0455 -2.26598 -29.0455 10.1662 29.2607 -2.26603 29.2608 -19.9397 GPRESSAVG: 3535600 -19.6701 -29.2682 -1.46591 -26.2977 10.6516 30.6694 -1.35845 26.6076 -19.7814 TIMING: 3535600 CPU: 10266.9, 0.00292269/step Wall: 10266.9, 0.00292269/step, 1.18889 hours remaining, 208.125000 MB of memory in use. ENERGY: 3535600 763.5660 2066.3144 1953.5648 127.1649 -206416.4443 17872.2908 0.0000 0.0000 34281.9952 -149351.5481 299.3932 -183633.5433 -149251.6349 298.9682 59.0367 90.4824 557327.8768 -9.6398 -9.6000 PRESSURE: 3535800 -193.191 -41.1411 48.3452 -41.1421 -60.9941 52.9459 48.3466 52.9456 -91.6176 GPRESSURE: 3535800 -130.524 71.5239 57.7416 -103.375 -55.7805 106.58 57.771 32.2541 -80.9035 PRESSAVG: 3535800 -16.5773 -27.9839 3.12748 -27.9839 21.3141 91.511 3.12743 91.511 6.62379 GPRESSAVG: 3535800 -14.6575 -25.8032 0.748539 -31.9011 20.4416 89.7523 2.85902 92.806 6.15508 TIMING: 3535800 CPU: 10267.5, 0.00293566/step Wall: 10267.5, 0.00293566/step, 1.194 hours remaining, 208.125000 MB of memory in use. ENERGY: 3535800 758.0105 2084.7185 1951.6185 114.8749 -206139.3195 17797.2490 0.0000 0.0000 34093.7541 -149339.0939 297.7492 -183432.8480 -149235.8324 298.4722 -115.2676 -89.0693 558156.3248 3.7868 3.9797 PRESSURE: 3536000 -128.778 41.9632 11.5433 41.9635 -123.8 -30.5813 11.5435 -30.5818 16.3983 GPRESSURE: 3536000 -88.948 -34.1671 42.7993 63.7249 -84.1659 -118.818 -2.60422 6.96144 18.8525 PRESSAVG: 3536000 38.5823 -58.7529 -3.834 -58.7528 -34.0628 51.3745 -3.8339 51.3745 8.15048 GPRESSAVG: 3536000 37.1106 -58.7263 -3.98421 -58.2003 -31.7604 53.453 -3.56128 50.1524 7.74269 TIMING: 3536000 CPU: 10268.1, 0.00292132/step Wall: 10268.1, 0.00292132/step, 1.188 hours remaining, 208.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3536000 715.5902 2097.8296 1947.2584 110.0485 -206056.3952 17623.8942 0.0000 0.0000 34080.9364 -149480.8379 297.6373 -183561.7743 -149385.8712 298.8423 -78.7267 -51.4205 557755.4453 4.2233 4.3643 PRESSURE: 3536200 246.979 109.655 149.21 109.655 13.9231 -97.9806 149.21 -97.9825 302.692 GPRESSURE: 3536200 299.373 128.199 240.912 162.916 75.0535 -88.7657 122.661 -43.03 296.927 PRESSAVG: 3536200 19.8318 -20.9257 30.0736 -20.9258 -14.5667 0.507373 30.0736 0.507442 24.286 GPRESSAVG: 3536200 18.8994 -21.5024 32.0087 -20.9617 -15.6729 -2.0002 29.3943 2.27313 26.3655 TIMING: 3536200 CPU: 10268.7, 0.00290696/step Wall: 10268.7, 0.00290696/step, 1.182 hours remaining, 208.125000 MB of memory in use. ENERGY: 3536200 703.0225 2063.2529 1945.0294 122.4375 -206750.7328 18195.5609 0.0000 0.0000 34139.3340 -149582.0955 298.1473 -183721.4295 -149482.6200 298.2805 187.8646 223.7844 558534.5107 9.8504 9.8640 LDB: ============= START OF LOAD BALANCING ============== 10272.2 LDB: ============== END OF LOAD BALANCING =============== 10272.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10272.2 LDB: ============= START OF LOAD BALANCING ============== 10272.4 LDB: Largest compute 4820 load 0.034897 is 29.6% of average load 0.117843 LDB: Average compute 0.001726 is 1.5% of average load 0.117843 LDB: TIME 10272.5 LOAD: AVG 0.117843 MAX 0.178055 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 10272.5 LOAD: AVG 0.117843 MAX 0.178055 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.629 MB LDB: TIME 10272.5 LOAD: AVG 0.117843 MAX 0.178055 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10272.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10272.5 PRESSURE: 3536400 -198.314 16.3952 -10.5232 16.3935 -245.223 -59.5668 -10.5242 -59.5669 -2.40141 GPRESSURE: 3536400 -159.958 23.5012 -28.8343 19.9501 -164.28 -77.6197 -10.2671 -86.4435 -31.5466 PRESSAVG: 3536400 21.072 17.3573 56.5639 17.3572 -75.8777 -4.35533 56.5638 -4.35528 4.96378 GPRESSAVG: 3536400 22.8465 17.3766 54.7298 18.8269 -75.2555 -2.87445 55.5632 -5.50926 2.77694 TIMING: 3536400 CPU: 10269.3, 0.00298769/step Wall: 10269.3, 0.00298769/step, 1.21466 hours remaining, 208.421875 MB of memory in use. ENERGY: 3536400 766.5945 2080.2028 1953.6758 113.4195 -206192.4750 17738.8064 0.0000 0.0000 34079.3754 -149460.4005 297.6237 -183539.7759 -149365.7378 298.1750 -148.6460 -118.5949 558927.3764 -16.6140 -16.5440 PRESSURE: 3536600 -228.99 40.4719 7.69799 40.4716 -16.4003 -5.43017 7.69763 -5.43095 -204.948 GPRESSURE: 3536600 -203.169 113.154 -6.80851 17.574 25.654 -29.9266 65.026 -23.3529 -173.597 PRESSAVG: 3536600 49.9276 15.5689 -6.96793 15.5689 -54.8574 -57.4752 -6.96801 -57.4751 1.72513 GPRESSAVG: 3536600 50.0955 14.9271 -6.5678 14.2907 -55.8609 -55.3871 -5.94636 -58.6168 2.6093 TIMING: 3536600 CPU: 10269.9, 0.00292885/step Wall: 10269.9, 0.00292885/step, 1.19058 hours remaining, 208.531250 MB of memory in use. ENERGY: 3536600 754.5871 2053.3440 1930.6081 129.6021 -206055.6462 17668.4484 0.0000 0.0000 34048.1195 -149470.9371 297.3507 -183519.0566 -149369.1395 297.7365 -150.1125 -117.0372 558243.4142 -1.0682 -1.0520 PRESSURE: 3536800 224.52 -66.2517 -44.3265 -66.2504 131.83 -42.6752 -44.3259 -42.6733 102.986 GPRESSURE: 3536800 180.6 -218.217 -62.7279 -14.5087 147.805 -23.1788 -41.6093 12.0389 223.07 PRESSAVG: 3536800 -18.7247 22.8791 -2.82829 22.8792 15.1263 -19.2468 -2.82836 -19.2468 -32.4686 GPRESSAVG: 3536800 -20.9658 22.7139 -2.46564 23.8136 16.6873 -22.4577 -2.20466 -18.1534 -32.1755 TIMING: 3536800 CPU: 10270.5, 0.00296164/step Wall: 10270.5, 0.00296164/step, 1.20374 hours remaining, 208.531250 MB of memory in use. ENERGY: 3536800 731.5573 2098.7556 1943.6146 117.1970 -207147.3830 18331.4527 0.0000 0.0000 34275.1520 -149649.6538 299.3334 -183924.8058 -149554.4481 298.4421 153.1122 183.8249 557256.6698 -12.0223 -12.1514 PRESSURE: 3537000 96.3354 -35.7343 34.1608 -35.7334 99.322 -16.7989 34.1608 -16.799 -175.818 GPRESSURE: 3537000 133.339 45.7428 -22.4889 -56.686 110.925 39.7871 -3.32982 -30.0733 -132.817 PRESSAVG: 3537000 30.0647 4.73123 -34.2945 4.73122 -7.9655 26.6327 -34.2945 26.6327 -65.3452 GPRESSAVG: 3537000 31.7999 5.74388 -35.7639 3.95873 -8.22585 27 -33.8819 27.135 -66.9177 TIMING: 3537000 CPU: 10271, 0.00293311/step Wall: 10271, 0.00293311/step, 1.19199 hours remaining, 208.531250 MB of memory in use. ENERGY: 3537000 763.4666 2091.9487 1971.7008 116.1896 -206786.5622 18070.7467 0.0000 0.0000 34259.9596 -149512.5500 299.2007 -183772.5097 -149414.6132 298.7920 6.6131 37.1491 558004.3449 -14.4153 -14.4479 PRESSURE: 3537200 44.7595 -7.67208 5.71595 -7.67176 194.195 -3.06342 5.71574 -3.06371 -234.205 GPRESSURE: 3537200 71.1185 -63.0793 -131.083 -25.9102 203.821 13.5768 -32.7288 -16.5337 -171.359 PRESSAVG: 3537200 -46.7872 -21.8387 -2.62364 -21.8387 71.6356 13.968 -2.62364 13.968 0.06368 GPRESSAVG: 3537200 -47.6707 -20.9068 -3.12099 -23.5075 69.6433 13.7839 -3.05269 13.5295 2.74338 TIMING: 3537200 CPU: 10271.6, 0.00292771/step Wall: 10271.6, 0.00292771/step, 1.18963 hours remaining, 208.531250 MB of memory in use. ENERGY: 3537200 714.3720 2070.9967 1971.9222 109.6280 -206374.6481 17784.5283 0.0000 0.0000 34307.1210 -149416.0799 299.6126 -183723.2009 -149317.7607 298.7807 1.5833 34.5269 557990.2492 8.3040 8.2387 PRESSURE: 3537400 -17.7777 -91.1648 155.485 -91.1646 -179.058 170.062 155.485 170.062 -132.908 GPRESSURE: 3537400 35.392 -69.8728 149.314 -158.474 -157.496 35.1586 101.472 242.666 -116.349 PRESSAVG: 3537400 -20.6995 -43.4115 15.701 -43.4114 58.9252 14.2943 15.7011 14.2944 -28.8108 GPRESSAVG: 3537400 -19.8014 -44.8643 17.1565 -41.6536 59.7352 13.0667 16.0913 17.4129 -31.0832 TIMING: 3537400 CPU: 10272.2, 0.00291863/step Wall: 10272.2, 0.00291863/step, 1.18577 hours remaining, 208.531250 MB of memory in use. ENERGY: 3537400 762.3452 2092.8211 1982.8586 104.0123 -206476.1368 17789.3448 0.0000 0.0000 34307.1302 -149437.6245 299.6127 -183744.7547 -149337.1957 298.9449 -109.9147 -79.4844 558450.8190 3.1383 2.9502 PRESSURE: 3537600 64.0734 26.3771 103.993 26.3761 96.0294 -107.936 103.993 -107.935 198.294 GPRESSURE: 3537600 106.903 113.63 91.1313 -3.21811 60.5028 -105.481 153.827 -64.6054 286.005 PRESSAVG: 3537600 21.6436 23.115 0.0196029 23.1151 9.4584 10.4053 0.0196017 10.4052 -22.2442 GPRESSAVG: 3537600 22.5204 25.1047 -0.300684 22.0784 7.97896 10.5862 -0.466544 9.96696 -21.3253 TIMING: 3537600 CPU: 10272.8, 0.00291752/step Wall: 10272.8, 0.00291752/step, 1.18516 hours remaining, 208.531250 MB of memory in use. ENERGY: 3537600 734.0413 2172.0323 1973.4073 100.8002 -206572.7736 18037.0174 0.0000 0.0000 34125.5763 -149429.8988 298.0271 -183555.4751 -149331.5522 298.5364 119.4656 151.1368 557177.0865 2.9526 3.0580 PRESSURE: 3537800 106.484 133.429 -33.8175 133.428 -67.4247 -95.7674 -33.8183 -95.7681 -50.1366 GPRESSURE: 3537800 76.7465 168.224 4.489 75.0348 42.4596 -128.725 26.6236 35.604 -31.6554 PRESSAVG: 3537800 8.85616 26.8703 -23.0984 26.8703 3.31779 -45.5404 -23.0984 -45.5404 1.99172 GPRESSAVG: 3537800 7.46259 26.6584 -24.0889 26.0418 4.64271 -44.1567 -21.6148 -46.38 2.63464 TIMING: 3537800 CPU: 10273.4, 0.00294663/step Wall: 10273.4, 0.00294663/step, 1.19682 hours remaining, 208.531250 MB of memory in use. ENERGY: 3537800 760.2599 2065.9856 1981.9282 127.7024 -206470.2085 17842.4383 0.0000 0.0000 34252.4271 -149439.4670 299.1350 -183691.8941 -149338.8387 298.4483 -3.6924 29.1836 557064.2349 4.7219 4.9133 PRESSURE: 3538000 -455.47 128.91 17.2207 128.911 -155.866 119.978 17.2211 119.978 -141.33 GPRESSURE: 3538000 -375.665 43.8527 17.928 148.095 -142.439 145.203 25.2491 63.0095 -136.961 PRESSAVG: 3538000 -31.2247 8.31949 27.2375 8.31937 17.0085 4.82772 27.2375 4.82783 -5.1591 GPRESSAVG: 3538000 -30.1296 7.62431 26.9529 11.6918 16.8418 3.53145 27.8359 5.53575 -6.76434 TIMING: 3538000 CPU: 10274, 0.0029641/step Wall: 10274, 0.0029641/step, 1.20375 hours remaining, 208.738281 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: 3538000 775.7313 2067.4519 1982.8149 107.4361 -206225.4824 17798.4858 0.0000 0.0000 34003.4767 -149490.0857 296.9608 -183493.5623 -149388.5994 298.3890 -250.8891 -218.3550 557301.7380 -6.4584 -6.6840 PRESSURE: 3538200 -22.3802 -18.535 -89.9567 -18.5354 169.193 60.5902 -89.9569 60.5884 118.614 GPRESSURE: 3538200 -17.4175 -66.1414 -64.5049 -3.82294 223.254 48.5804 -91.4878 138.021 157.018 PRESSAVG: 3538200 -14.6863 -47.9317 -13.5229 -47.9317 19.0477 -51.6701 -13.5229 -51.6701 3.26837 GPRESSAVG: 3538200 -15.6602 -48.5706 -12.5823 -49.492 17.5857 -51.5018 -14.9096 -51.954 5.86986 TIMING: 3538200 CPU: 10274.6, 0.0029125/step Wall: 10274.6, 0.0029125/step, 1.18264 hours remaining, 208.738281 MB of memory in use. ENERGY: 3538200 736.4262 2134.7427 1960.3388 114.6816 -206714.2382 17993.8030 0.0000 0.0000 34145.9347 -149628.3112 298.2049 -183774.2459 -149525.8654 297.9675 88.4754 120.9514 556230.9876 2.5433 2.5984 PRESSURE: 3538400 15.4012 70.468 -13.1792 70.4689 -42.3715 138.415 -13.1807 138.415 287.946 GPRESSURE: 3538400 41.8445 109.013 -43.568 11.117 30.816 137.861 16.8963 175.712 289.738 PRESSAVG: 3538400 -78.5403 -40.1998 -58.3413 -40.1997 10.6341 -32.2106 -58.3414 -32.2106 69.7717 GPRESSAVG: 3538400 -77.7049 -39.1642 -59.5501 -41.8334 12.2607 -32.08 -56.4101 -33.9145 67.3799 TIMING: 3538400 CPU: 10275.1, 0.00289814/step Wall: 10275.1, 0.00289814/step, 1.17664 hours remaining, 208.738281 MB of memory in use. ENERGY: 3538400 761.0038 2047.7468 1942.1947 113.0942 -206682.1078 18115.4610 0.0000 0.0000 33963.6585 -149738.9489 296.6131 -183702.6074 -149646.1659 297.2853 86.9920 120.7997 557382.1324 0.6219 0.6452 PRESSURE: 3538600 -151.646 -98.7644 -7.49791 -98.7643 94.6824 64.3714 -7.49775 64.3701 -220.771 GPRESSURE: 3538600 -71.9052 -120.646 -25.3077 -136.462 95.3615 76.8247 -12.9488 87.7575 -210.371 PRESSAVG: 3538600 -38.1168 32.1936 43.3986 32.1937 56.097 -36.4255 43.3987 -36.4256 -6.69092 GPRESSAVG: 3538600 -38.7676 32.7026 45.4926 33.2798 56.2359 -33.4614 41.4972 -36.71 -6.43683 TIMING: 3538600 CPU: 10275.7, 0.00291653/step Wall: 10275.7, 0.00291653/step, 1.18395 hours remaining, 208.738281 MB of memory in use. ENERGY: 3538600 729.1530 2087.6881 1962.4288 105.2825 -206386.9158 17753.4949 0.0000 0.0000 34021.3367 -149727.5318 297.1168 -183748.8684 -149628.2229 297.0031 -92.5783 -62.3049 558154.0004 3.7631 3.6771 PRESSURE: 3538800 22.1969 -94.0265 26.9167 -94.0252 -136.509 29.3125 26.9167 29.3127 -123.968 GPRESSURE: 3538800 25.4783 -69.4075 34.7593 -84.6587 -86.194 19.8094 -19.6709 119.531 -76.8272 PRESSAVG: 3538800 -15.3528 -17.7911 16.4232 -17.7912 -48.1575 16.6221 16.4232 16.6221 36.1542 GPRESSAVG: 3538800 -16.0374 -20.2877 15.2911 -15.7852 -49.5534 13.8234 15.4724 18.1541 38.1217 TIMING: 3538800 CPU: 10276.3, 0.00290524/step Wall: 10276.3, 0.00290524/step, 1.1792 hours remaining, 208.738281 MB of memory in use. ENERGY: 3538800 768.4229 2092.0477 1985.8013 110.3772 -206415.9991 17751.3091 0.0000 0.0000 34140.5451 -149567.4958 298.1579 -183708.0409 -149463.6619 298.2076 -79.4269 -45.8476 556875.5467 -9.1187 -9.1564 PRESSURE: 3539000 -74.312 -42.5261 97.4627 -42.527 -68.4865 109.075 97.463 109.074 74.0055 GPRESSURE: 3539000 -32.0237 -12.5442 89.2105 -103.98 -9.93735 48.6259 44.0816 118.954 71.4231 PRESSAVG: 3539000 -39.3253 5.44814 -19.4648 5.44804 -11.4467 15.1671 -19.4648 15.1671 69.0829 GPRESSAVG: 3539000 -38.1636 4.97493 -19.6289 1.72093 -10.4393 14.099 -18.7715 14.9597 66.8184 TIMING: 3539000 CPU: 10276.9, 0.00291992/step Wall: 10276.9, 0.00291992/step, 1.185 hours remaining, 208.738281 MB of memory in use. ENERGY: 3539000 725.0488 2099.0883 1979.8485 105.8258 -206657.3424 17866.3366 0.0000 0.0000 34307.3156 -149573.8789 299.6143 -183881.1945 -149481.6694 297.8537 -22.9310 9.8207 555243.5871 6.1036 6.0718 PRESSURE: 3539200 108.256 -54.9508 26.4526 -54.9518 6.4501 128.416 26.4519 128.415 -173.569 GPRESSURE: 3539200 153.459 5.04893 -21.315 -38.1055 82.2103 165.125 -1.17039 172.143 -198.374 PRESSAVG: 3539200 60.5522 -1.65816 55.0689 -1.65819 -16.5118 22.763 55.069 22.763 -25.7044 GPRESSAVG: 3539200 59.6568 -0.471054 55.8124 -0.458677 -15.8924 24.6853 56.0951 22.7036 -25.5089 TIMING: 3539200 CPU: 10277.5, 0.0029189/step Wall: 10277.5, 0.0029189/step, 1.18443 hours remaining, 208.738281 MB of memory in use. ENERGY: 3539200 769.2406 2037.7856 1968.8996 119.0334 -206868.4106 18045.9811 0.0000 0.0000 34408.6426 -149518.8277 300.4992 -183927.4703 -149420.6242 298.7598 -19.6208 12.4319 557327.1483 6.1120 6.0852 PRESSURE: 3539400 -37.668 66.9781 -35.9778 66.9776 -119.802 -40.0266 -35.9773 -40.027 -173.642 GPRESSURE: 3539400 -14.7649 55.8702 -25.5419 62.8827 -59.6864 -116.254 -61.2415 47.9454 -150.993 PRESSAVG: 3539400 -17.7054 22.0594 13.0343 22.0594 -9.68144 27.4808 13.0343 27.4808 0.0904631 GPRESSAVG: 3539400 -17.6349 22.9617 12.5328 23.2079 -9.25596 26.3918 12.7518 28.0289 -0.329335 TIMING: 3539400 CPU: 10278.1, 0.0029183/step Wall: 10278.1, 0.0029183/step, 1.18402 hours remaining, 208.738281 MB of memory in use. ENERGY: 3539400 786.2911 2069.1439 1957.6314 116.2347 -206368.6931 17864.2285 0.0000 0.0000 34233.9421 -149341.2215 298.9735 -183575.1635 -149238.6094 298.5224 -110.3706 -75.1480 558837.8474 -9.0988 -9.0734 PRESSURE: 3539600 -53.6001 -44.0217 -51.9193 -44.021 120.623 46.2895 -51.9177 46.2889 -7.99741 GPRESSURE: 3539600 61.4826 -85.2864 -95.787 44.0806 117.821 88.7519 15.3471 42.34 -30.064 PRESSAVG: 3539600 -14.1313 -16.4954 16.552 -16.4955 -1.07765 58.9175 16.5521 58.9176 50.4244 GPRESSAVG: 3539600 -13.4812 -15.3926 15.7268 -18.8526 -1.61002 58.0626 17.177 58.4572 50.6295 TIMING: 3539600 CPU: 10278.6, 0.00290165/step Wall: 10278.6, 0.00290165/step, 1.1771 hours remaining, 208.738281 MB of memory in use. ENERGY: 3539600 725.0591 2097.8365 1961.3818 111.8187 -206274.3754 17922.3801 0.0000 0.0000 34009.9157 -149445.9836 297.0171 -183455.8993 -149348.3400 298.6550 19.6752 49.7464 558158.4658 11.7385 11.8461 PRESSURE: 3539800 -163.154 -28.6924 74.1398 -28.693 -55.5041 -146.192 74.1398 -146.193 -242.693 GPRESSURE: 3539800 -196.537 -17.3978 75.3053 -65.7786 11.3413 -244.202 81.0757 -154.339 -174.552 PRESSAVG: 3539800 -0.0368694 19.6027 -3.65396 19.6026 -65.3066 29.5801 -3.65399 29.5801 39.1372 GPRESSAVG: 3539800 -1.03302 19.4954 -2.97056 19.4088 -65.3225 30.4755 -4.29998 27.4478 39.7887 TIMING: 3539800 CPU: 10279.2, 0.00291137/step Wall: 10279.2, 0.00291137/step, 1.18089 hours remaining, 208.738281 MB of memory in use. ENERGY: 3539800 812.7916 2071.5743 1957.2561 108.5012 -206201.7493 17672.7389 0.0000 0.0000 34010.8629 -149568.0243 297.0253 -183578.8872 -149464.0822 298.0898 -153.7839 -119.9156 556679.0197 -8.7354 -8.8556 PRESSURE: 3540000 -9.15068 -16.8402 -26.4653 -16.8397 181.84 31.4864 -26.4661 31.4855 -229.299 GPRESSURE: 3540000 42.7111 -37.2964 -22.409 27.4553 139.202 22.9206 -34.63 100.621 -156.755 PRESSAVG: 3540000 -13.8905 15.0774 -29.3126 15.0774 -4.27557 10.5351 -29.3125 10.535 27.0188 GPRESSAVG: 3540000 -13.2125 13.0417 -28.8586 14.9378 -5.50739 11.809 -30.9432 13.4988 27.8166 TIMING: 3540000 CPU: 10279.8, 0.00293454/step Wall: 10279.8, 0.00293454/step, 1.19012 hours remaining, 208.738281 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: 3540000 738.0926 2142.9866 1941.7305 115.9611 -206344.3951 17738.0251 0.0000 0.0000 34111.7556 -149555.8435 297.9064 -183667.5991 -149463.0107 298.6084 -18.8700 8.3859 556067.2077 2.9509 3.0322 PRESSURE: 3540200 -159.783 29.1709 -125.934 29.1705 -136.583 -66.344 -125.934 -66.3426 -286.639 GPRESSURE: 3540200 -76.2572 -24.5842 -116.337 -2.60894 -98.6809 -130.588 -152.362 -22.7412 -314.189 PRESSAVG: 3540200 -26.1035 -52.9036 -49.9096 -52.9036 4.96573 44.4242 -49.9095 44.4242 14.6054 GPRESSAVG: 3540200 -26.1977 -53.5334 -48.6663 -52.5207 6.41513 44.5896 -49.6311 42.5174 13.3495 TIMING: 3540200 CPU: 10280.4, 0.00291337/step Wall: 10280.4, 0.00291337/step, 1.18137 hours remaining, 208.738281 MB of memory in use. ENERGY: 3540200 783.0411 2030.4946 1939.3808 114.0592 -206221.4697 17682.1678 0.0000 0.0000 34122.2919 -149550.0343 297.9985 -183672.3262 -149447.0475 298.2488 -194.3352 -163.0422 557326.2491 -2.1775 -2.1443 LDB: ============= START OF LOAD BALANCING ============== 10283.9 LDB: ============== END OF LOAD BALANCING =============== 10283.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10283.9 LDB: ============= START OF LOAD BALANCING ============== 10284.2 LDB: Largest compute 4820 load 0.033622 is 28.5% of average load 0.117801 LDB: Average compute 0.001732 is 1.5% of average load 0.117801 LDB: TIME 10284.2 LOAD: AVG 0.117801 MAX 0.176065 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.582 MB LDB: TIME 10284.2 LOAD: AVG 0.117801 MAX 0.176065 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: TIME 10284.2 LOAD: AVG 0.117801 MAX 0.176065 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.824 MB LDB: ============== END OF LOAD BALANCING =============== 10284.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10284.2 PRESSURE: 3540400 -276.03 98 -39.9792 97.9995 19.7502 -29.0736 -39.9786 -29.0714 17.8404 GPRESSURE: 3540400 -288.172 146.751 -105.794 136.022 125.916 14.6971 -11.4168 -5.15855 19.1553 PRESSAVG: 3540400 -6.22749 -12.4423 -5.70907 -12.4424 -8.51115 24.7518 -5.70904 24.7518 16.1902 GPRESSAVG: 3540400 -6.6873 -10.0131 -5.8184 -10.3974 -9.39906 23.8202 -5.41124 25.0384 17.7098 TIMING: 3540400 CPU: 10281, 0.00296478/step Wall: 10281, 0.00296478/step, 1.20205 hours remaining, 208.316406 MB of memory in use. ENERGY: 3540400 769.5049 2069.3431 1931.5568 107.6347 -206290.3032 17617.4890 0.0000 0.0000 34050.3216 -149744.4531 297.3699 -183794.7747 -149640.5151 297.9765 -79.4796 -47.7001 556315.9292 0.4838 0.5411 PRESSURE: 3540600 78.4879 10.8091 27.7555 10.8089 -24.573 -139.749 27.7565 -139.75 -36.5672 GPRESSURE: 3540600 78.7497 -40.115 13.8403 40.9625 -6.19274 -122.947 86.2236 -121.437 39.4786 PRESSAVG: 3540600 -22.5871 -5.21937 22.1475 -5.21935 -18.2983 22.0488 22.1475 22.0487 53.2954 GPRESSAVG: 3540600 -22.5592 -5.11453 21.1409 -5.95864 -17.8683 23.504 22.9799 20.8007 52.8112 TIMING: 3540600 CPU: 10281.6, 0.00291281/step Wall: 10281.6, 0.00291281/step, 1.18082 hours remaining, 208.574219 MB of memory in use. ENERGY: 3540600 736.1547 2078.4110 1952.5593 116.1947 -206401.2596 17773.3237 0.0000 0.0000 34269.6883 -149474.9279 299.2857 -183744.6162 -149378.1038 298.0414 5.7825 37.3452 556967.6451 4.1367 4.1279 PRESSURE: 3540800 217.293 -92.5897 36.5756 -92.5906 86.8746 -21.4756 36.5763 -21.4763 -97.464 GPRESSURE: 3540800 273.602 -187.111 -44.3434 31.8255 120.354 -21.1344 41.4615 -13.4923 -105.965 PRESSAVG: 3540800 82.3962 -43.3678 -39.0168 -43.3679 -33.1846 21.9808 -39.0169 21.9807 -66.1958 GPRESSAVG: 3540800 82.3937 -44.6016 -40.579 -43.921 -33.8765 21.1884 -39.7185 21.5023 -66.113 TIMING: 3540800 CPU: 10282.2, 0.00291758/step Wall: 10282.2, 0.00291758/step, 1.18259 hours remaining, 208.574219 MB of memory in use. ENERGY: 3540800 724.1166 2128.4417 1973.5900 109.0760 -206486.5879 17825.4462 0.0000 0.0000 34149.9784 -149575.9390 298.2403 -183725.9174 -149477.9217 297.8939 68.9013 95.9971 555928.0720 -5.6614 -5.8653 PRESSURE: 3541000 146.735 58.3365 77.4 58.3352 -170.411 -21.2842 77.3997 -21.2856 -59.0222 GPRESSURE: 3541000 205.976 76.1563 139.431 -37.4554 -129.247 -52.1407 49.9746 -9.88535 -54.7541 PRESSAVG: 3541000 60.7529 -22.2412 0.0636802 -22.2413 -14.9724 -45.9452 0.0636291 -45.9452 -20.324 GPRESSAVG: 3541000 60.535 -21.8386 1.73783 -23.9622 -13.707 -47.1456 0.479289 -44.9483 -20.9936 TIMING: 3541000 CPU: 10282.7, 0.00293006/step Wall: 10282.7, 0.00293006/step, 1.18749 hours remaining, 208.574219 MB of memory in use. ENERGY: 3541000 733.9758 2099.7793 1954.4290 128.2613 -206189.7204 17627.6391 0.0000 0.0000 34148.9797 -149496.6562 298.2315 -183645.6359 -149395.7418 297.8716 -27.5661 7.3249 556623.8075 8.4855 8.6115 PRESSURE: 3541200 -13.8537 29.4244 53.8929 29.4234 -114.482 15.2523 53.8939 15.2505 130.766 GPRESSURE: 3541200 11.964 51.7982 54.8041 -92.6662 -63.5566 9.68989 -19.1552 -15.2385 144.097 PRESSAVG: 3541200 13.4901 9.11613 43.5043 9.11617 -23.4853 34.3269 43.5044 34.3272 39.6017 GPRESSAVG: 3541200 12.7004 8.44774 42.3718 10.1896 -23.7038 34.1875 43.5029 34.4501 40.3688 TIMING: 3541200 CPU: 10283.3, 0.00293566/step Wall: 10283.3, 0.00293566/step, 1.18959 hours remaining, 208.574219 MB of memory in use. ENERGY: 3541200 763.2321 2123.4050 1941.8038 120.8562 -206596.4635 17920.8409 0.0000 0.0000 34195.1275 -149531.1979 298.6346 -183726.3254 -149431.8213 298.3152 0.8101 30.8349 556649.6807 9.8688 9.7885 PRESSURE: 3541400 52.9147 75.967 25.2862 75.9647 -106.055 -28.9538 25.2871 -28.9524 181.336 GPRESSURE: 3541400 82.2842 115.866 10.4368 10.6588 -83.3445 -77.9306 51.2676 -67.6219 215.159 PRESSAVG: 3541400 13.2327 -44.9095 -15.1082 -44.9095 -70.7224 -17.8236 -15.1082 -17.8235 44.9333 GPRESSAVG: 3541400 13.7465 -45.2227 -13.6807 -44.8993 -70.296 -18.1764 -15.6878 -19.1411 44.0081 TIMING: 3541400 CPU: 10283.9, 0.0029177/step Wall: 10283.9, 0.0029177/step, 1.18215 hours remaining, 208.574219 MB of memory in use. ENERGY: 3541400 781.6380 2050.5015 1946.7071 116.6183 -206575.9852 18024.0036 0.0000 0.0000 34261.6996 -149394.8171 299.2159 -183656.5167 -149294.9992 298.1101 42.7321 71.3663 557777.8935 -4.1854 -4.1805 PRESSURE: 3541600 -122.69 38.4808 -104.368 38.4797 -102.714 -87.66 -104.367 -87.6593 -73.1217 GPRESSURE: 3541600 -91.804 46.9728 -146.566 8.57348 -107.535 -9.00685 -56.8318 -75.7145 3.89013 PRESSAVG: 3541600 6.1951 -12.7943 -11.193 -12.7944 -65.5016 12.7703 -11.193 12.7704 79.7822 GPRESSAVG: 3541600 7.58198 -11.9073 -11.5819 -12.4814 -67.6634 13.2386 -11.9497 13.2224 80.5609 TIMING: 3541600 CPU: 10284.5, 0.0028939/step Wall: 10284.5, 0.0028939/step, 1.17235 hours remaining, 208.574219 MB of memory in use. ENERGY: 3541600 733.9369 2144.2380 1961.6498 110.4404 -206381.6322 17734.3759 0.0000 0.0000 34453.4061 -149243.5849 300.8902 -183696.9910 -149135.7148 298.8973 -99.5087 -65.1496 558587.1796 6.8252 6.8265 PRESSURE: 3541800 38.5468 149.473 84.586 149.472 143.81 -23.5383 84.5868 -23.5383 96.3479 GPRESSURE: 3541800 81.6391 98.9619 90.0528 216.915 122.777 -44.8569 66.5402 1.8022 176.735 PRESSAVG: 3541800 23.6443 16.734 39.4282 16.734 -57.3623 5.57203 39.4282 5.57207 80.4111 GPRESSAVG: 3541800 22.1931 17.1042 39.8292 16.6178 -55.7879 6.33518 40.7617 5.73115 80.894 TIMING: 3541800 CPU: 10285.1, 0.00291576/step Wall: 10285.1, 0.00291576/step, 1.18105 hours remaining, 208.574219 MB of memory in use. ENERGY: 3541800 740.9692 2081.1487 1974.1811 119.7609 -206414.3301 17918.4348 0.0000 0.0000 34316.9108 -149262.9244 299.6981 -183579.8353 -149161.3672 299.4415 92.9017 127.0504 557935.8058 15.5643 15.7664 PRESSURE: 3542000 -303.493 44.1109 8.17082 44.1101 -306.7 27.3319 8.16957 27.3319 -230.034 GPRESSURE: 3542000 -329.062 -76.703 -8.65653 138.407 -248.403 -43.9412 47.6646 47.0524 -182.627 PRESSAVG: 3542000 6.30313 19.9246 63.66 19.9245 39.3755 29.4622 63.6599 29.4623 -56.1741 GPRESSAVG: 3542000 7.4329 19.0636 60.9485 22.1089 37.8077 28.7456 65.804 28.4415 -55.9373 TIMING: 3542000 CPU: 10285.7, 0.00292342/step Wall: 10285.7, 0.00292342/step, 1.18399 hours remaining, 208.574219 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: 3542000 761.7724 2114.7689 1992.2656 116.2799 -205926.2779 17500.3011 0.0000 0.0000 34078.7413 -149362.1486 297.6181 -183440.8899 -149268.0030 299.0318 -280.0755 -253.3641 559692.1698 -3.4985 -3.5656 PRESSURE: 3542200 -305.05 6.60131 -93.149 6.60084 -374.989 42.6873 -93.1481 42.6877 17.6229 GPRESSURE: 3542200 -207.001 -84.9439 -47.565 43.8032 -346.022 74.4509 -123.589 87.6332 -19.2997 PRESSAVG: 3542200 8.04973 3.17701 7.20387 3.17695 30.9828 -10.7333 7.20387 -10.7334 -37.338 GPRESSAVG: 3542200 7.09664 2.58713 9.07858 3.74468 32.513 -10.8452 4.10693 -7.69573 -37.9054 TIMING: 3542200 CPU: 10286.2, 0.00296676/step Wall: 10286.2, 0.00296676/step, 1.20137 hours remaining, 208.574219 MB of memory in use. ENERGY: 3542200 772.9826 2070.4642 1985.1223 117.3647 -206343.8690 17777.7925 0.0000 0.0000 34347.4703 -149272.6723 299.9650 -183620.1426 -149181.5845 299.2471 -220.8053 -190.7741 559245.0361 0.5648 0.5681 PRESSURE: 3542400 -136.64 95.9308 -46.9406 95.9299 -353.021 54.8863 -46.9403 54.8882 107.039 GPRESSURE: 3542400 -142.824 69.057 -91.7265 90.1392 -324.048 138.814 57.1108 8.09253 168.855 PRESSAVG: 3542400 35.4572 12.3442 -16.4233 12.3441 -11.1549 -21.643 -16.4232 -21.6429 -4.15242 GPRESSAVG: 3542400 35.7965 12.4805 -17.2814 10.9179 -12.2083 -19.8279 -14.3558 -24.4566 -3.49284 TIMING: 3542400 CPU: 10286.8, 0.00294114/step Wall: 10286.8, 0.00294114/step, 1.19083 hours remaining, 208.574219 MB of memory in use. ENERGY: 3542400 740.4772 2120.5155 1960.2962 113.0519 -205875.5379 17531.1253 0.0000 0.0000 34110.0800 -149299.9918 297.8918 -183410.0719 -149197.1939 299.5658 -127.5408 -99.3391 556914.4958 6.7166 6.6984 PRESSURE: 3542600 4.96526 -115.905 -74.4855 -115.904 52.1607 -91.8634 -74.4855 -91.8619 6.21656 GPRESSURE: 3542600 116.172 -70.538 -90.4976 -95.1645 59.7936 -77.5278 6.27429 -89.2259 -13.8938 PRESSAVG: 3542600 15.8373 -44.5554 14.5391 -44.5554 23.1496 8.31883 14.5391 8.31872 -9.33483 GPRESSAVG: 3542600 16.5303 -42.9111 13.9488 -46.8344 22.7467 7.74359 12.6401 10.3625 -9.99959 TIMING: 3542600 CPU: 10287.4, 0.00295797/step Wall: 10287.4, 0.00295797/step, 1.19749 hours remaining, 208.574219 MB of memory in use. ENERGY: 3542600 751.9637 2094.4403 1951.6540 111.3831 -206467.0732 17945.2451 0.0000 0.0000 34418.4805 -149193.9064 300.5852 -183612.3870 -149099.4855 299.0779 21.1142 54.0240 557764.7710 9.8840 9.7591 PRESSURE: 3542800 -340.293 -10.5548 31.4689 -10.5553 -173.032 47.8911 31.47 47.8904 -334.76 GPRESSURE: 3542800 -365.195 -65.1327 41.3886 78.7701 -81.0737 27.8704 46.6051 60.1483 -287.693 PRESSAVG: 3542800 -26.0876 -27.7182 -31.0206 -27.7182 51.4456 -54.4321 -31.0205 -54.4319 -47.5383 GPRESSAVG: 3542800 -26.3424 -27.7253 -29.8945 -23.7821 50.9271 -55.7742 -32.6506 -53.4892 -46.2038 TIMING: 3542800 CPU: 10288, 0.00293908/step Wall: 10288, 0.00293908/step, 1.18968 hours remaining, 208.574219 MB of memory in use. ENERGY: 3542800 727.4290 2053.1751 1960.5576 114.8336 -206015.5801 17495.0649 0.0000 0.0000 34356.4008 -149308.1192 300.0430 -183664.5199 -149212.0247 298.6289 -282.6952 -244.6537 558406.9663 -7.3934 -7.2063 PRESSURE: 3543000 -6.115 10.0354 26.644 10.0357 86.8162 38.716 26.6429 38.7161 66.6049 GPRESSURE: 3543000 21.1622 85.8448 -11.8838 -46.0698 121.836 12.3473 56.5329 -30.5812 92.3948 PRESSAVG: 3543000 52.4998 11.4981 -9.86364 11.4981 30.323 7.08449 -9.86376 7.08451 -45.9314 GPRESSAVG: 3543000 51.3369 9.88998 -10.3652 9.83911 32.934 6.59327 -11.1297 6.60261 -46.8978 TIMING: 3543000 CPU: 10288.6, 0.0029536/step Wall: 10288.6, 0.0029536/step, 1.19539 hours remaining, 208.574219 MB of memory in use. ENERGY: 3543000 755.7121 2058.8996 1969.0157 121.7686 -206604.5095 18037.8100 0.0000 0.0000 34344.4405 -149316.8630 299.9385 -183661.3035 -149222.8383 299.2373 49.1020 78.4643 557836.8985 12.2971 12.4577 PRESSURE: 3543200 -124.362 60.2506 39.8274 60.25 5.30748 153.578 39.8277 153.579 268.849 GPRESSURE: 3543200 -86.8447 69.0099 20.7053 32.5563 71.8739 125.284 65.324 146.832 260.558 PRESSAVG: 3543200 -23.772 2.47101 -23.8326 2.47097 94.6451 14.1929 -23.8326 14.1929 -90.0046 GPRESSAVG: 3543200 -22.7247 4.62913 -25.1444 2.55614 93.3245 15.9969 -19.5352 14.9561 -90.2061 TIMING: 3543200 CPU: 10289.2, 0.00295108/step Wall: 10289.2, 0.00295108/step, 1.19421 hours remaining, 208.574219 MB of memory in use. ENERGY: 3543200 731.9040 2084.2226 1963.2443 121.7995 -206145.3873 17959.4030 0.0000 0.0000 34078.2983 -149206.5157 297.6143 -183284.8139 -149115.8128 298.8690 49.9317 81.8625 557389.9793 -6.3771 -6.5354 PRESSURE: 3543400 197.571 -199.179 -160.178 -199.179 239.452 -13.9438 -160.177 -13.9447 37.1689 GPRESSURE: 3543400 211.579 -202.542 -96.7224 -148.167 252.474 -65.4953 -169.648 -1.99362 99.9615 PRESSAVG: 3543400 -53.9969 -18.0096 -34.1368 -18.0096 77.4823 71.863 -34.1367 71.8631 -38.9872 GPRESSAVG: 3543400 -53.6307 -18.1259 -31.1106 -19.5037 77.3466 71.5204 -35.9855 70.355 -38.9505 TIMING: 3543400 CPU: 10289.8, 0.00293468/step Wall: 10289.8, 0.00293468/step, 1.1874 hours remaining, 208.574219 MB of memory in use. ENERGY: 3543400 722.5387 2073.3973 1970.0463 110.6989 -206473.6970 18111.3419 0.0000 0.0000 34268.5700 -149217.1040 299.2759 -183485.6739 -149119.8584 299.0202 158.0639 188.0047 557753.3870 -5.1672 -5.0782 PRESSURE: 3543600 192.331 34.5603 -10.2432 34.5597 -199.932 39.7107 -10.2425 39.713 233.608 GPRESSURE: 3543600 254.14 52.2763 -41.6893 -16.2365 -173.572 30.6159 40.4113 71.7995 241.146 PRESSAVG: 3543600 23.4039 -2.23671 -27.743 -2.23671 51.1118 3.57555 -27.7429 3.57562 -56.6607 GPRESSAVG: 3543600 24.2303 -1.84501 -28.4415 -2.76497 51.4883 2.85931 -29.1015 4.47508 -57.7907 TIMING: 3543600 CPU: 10290.4, 0.0029296/step Wall: 10290.4, 0.0029296/step, 1.18519 hours remaining, 208.574219 MB of memory in use. ENERGY: 3543600 738.8753 2056.3691 1993.4279 119.6222 -206310.6694 17986.8548 0.0000 0.0000 34195.7668 -149219.7533 298.6401 -183415.5201 -149121.1697 298.9213 75.3355 107.2379 557558.8429 5.9517 5.9760 PRESSURE: 3543800 33.2234 -68.1607 -13.0251 -68.161 -57.5952 -63.146 -13.0253 -63.1458 -98.5161 GPRESSURE: 3543800 33.1848 -76 -102.003 -43.1439 -28.8988 -35.0356 -45.221 -85.4476 -36.4984 PRESSAVG: 3543800 1.60771 -2.4973 -11.0173 -2.4974 20.1421 18.1979 -11.0173 18.1979 -2.81408 GPRESSAVG: 3543800 0.399579 -3.62301 -11.4687 -2.80851 20.0916 17.2321 -11.0191 19.5349 -1.91813 TIMING: 3543800 CPU: 10291, 0.0029326/step Wall: 10291, 0.0029326/step, 1.18624 hours remaining, 208.574219 MB of memory in use. ENERGY: 3543800 768.1800 2062.7946 1998.1903 110.8075 -206164.1031 17728.9267 0.0000 0.0000 34214.2401 -149280.9638 298.8015 -183495.2039 -149182.6580 299.1435 -40.9626 -10.7374 557061.1095 6.3119 6.1910 PRESSURE: 3544000 -145.616 -53.4186 -37.5199 -53.419 -41.4041 127.529 -37.5198 127.529 78.9522 GPRESSURE: 3544000 -73.1873 -39.3534 47.6315 5.36409 -19.2904 87.779 -65.8028 113.005 71.3615 PRESSAVG: 3544000 44.3895 -58.0644 9.47094 -58.0645 -37.432 13.93 9.47089 13.9299 -20.5565 GPRESSAVG: 3544000 44.953 -56.3246 10.1717 -55.4952 -38.2507 14.2411 8.41878 13.8861 -20.6321 TIMING: 3544000 CPU: 10291.5, 0.00292472/step Wall: 10291.5, 0.00292472/step, 1.18289 hours remaining, 208.574219 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: 3544000 738.2024 2032.2136 1947.0199 104.8352 -206116.7222 17830.5849 0.0000 0.0000 34240.4058 -149223.4604 299.0300 -183463.8662 -149124.9661 298.9468 -36.0227 -7.0387 558214.9355 -4.5330 -4.6433 PRESSURE: 3544200 -22.6242 56.4922 17.9458 56.4923 -153.057 10.2897 17.9457 10.2907 -138.989 GPRESSURE: 3544200 -8.40452 103.048 50.1209 69.4743 -126.929 67.0355 -36.0346 -11.1506 -70.1851 PRESSAVG: 3544200 0.00424081 -20.1316 -17.2571 -20.1317 13.3967 8.14732 -17.2571 8.14737 -36.3525 GPRESSAVG: 3544200 -0.736371 -23.0841 -19.4428 -20.8777 12.5284 9.70279 -13.5242 6.99299 -35.2232 TIMING: 3544200 CPU: 10292.1, 0.00289055/step Wall: 10292.1, 0.00289055/step, 1.16891 hours remaining, 208.574219 MB of memory in use. ENERGY: 3544200 731.8694 2024.5519 1953.5822 119.3905 -206014.5156 17627.9868 0.0000 0.0000 34292.3373 -149264.7975 299.4835 -183557.1348 -149165.6590 298.8905 -104.8900 -68.5062 558120.9236 -7.6505 -7.8104 LDB: ============= START OF LOAD BALANCING ============== 10295.6 LDB: ============== END OF LOAD BALANCING =============== 10295.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10295.6 LDB: ============= START OF LOAD BALANCING ============== 10295.9 LDB: Largest compute 4820 load 0.032646 is 27.7% of average load 0.117807 LDB: Average compute 0.001733 is 1.5% of average load 0.117807 LDB: TIME 10295.9 LOAD: AVG 0.117807 MAX 0.177325 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.703 MB LDB: TIME 10295.9 LOAD: AVG 0.117807 MAX 0.177325 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.766 MB LDB: TIME 10295.9 LOAD: AVG 0.117807 MAX 0.177325 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.766 MB LDB: ============== END OF LOAD BALANCING =============== 10295.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10295.9 PRESSURE: 3544400 154.769 -18.8181 -116.644 -18.817 -35.2497 -11.5193 -116.643 -11.5194 194.119 GPRESSURE: 3544400 200.889 60.0378 -125.391 -64.445 -6.1768 -57.548 -62.0527 23.8504 218.13 PRESSAVG: 3544400 8.98995 18.1413 -11.5102 18.1413 34.551 -23.5683 -11.5103 -23.5683 -9.44824 GPRESSAVG: 3544400 8.23903 19.35 -10.4952 15.7533 35.1114 -25.2806 -13.5435 -22.141 -8.82174 TIMING: 3544400 CPU: 10292.7, 0.00298373/step Wall: 10292.7, 0.00298373/step, 1.20642 hours remaining, 206.023438 MB of memory in use. ENERGY: 3544400 752.0792 2085.8030 1989.9323 104.3707 -206327.5749 17911.1087 0.0000 0.0000 34156.1583 -149328.1225 298.2942 -183484.2808 -149234.9881 298.4360 104.5460 137.6140 556440.0538 11.3642 11.5096 PRESSURE: 3544600 -39.3792 -91.8862 -122.999 -91.8862 28.5763 -83.1806 -123 -83.1793 116.369 GPRESSURE: 3544600 -28.9304 -58.3005 -122.892 -56.5811 57.1663 -119.723 -59.4718 -79.9814 164.927 PRESSAVG: 3544600 20.8865 -48.2451 -35.5295 -48.2451 -55.1604 -23.6414 -35.5294 -23.6413 49.476 GPRESSAVG: 3544600 22.2049 -47.7846 -36.8445 -46.7989 -54.577 -25.9499 -33.9686 -22.4866 47.1841 TIMING: 3544600 CPU: 10293.3, 0.00292781/step Wall: 10293.3, 0.00292781/step, 1.18365 hours remaining, 206.226562 MB of memory in use. ENERGY: 3544600 708.4210 2041.4796 1963.7170 116.5219 -206277.2606 17794.4042 0.0000 0.0000 34331.7950 -149320.9219 299.8281 -183652.7169 -149229.0717 299.2695 35.1888 64.3876 557205.2597 5.0674 4.9373 PRESSURE: 3544800 20.946 -53.2601 75.1487 -53.2599 -21.6872 128.799 75.1475 128.8 -286.301 GPRESSURE: 3544800 0.0371717 -19.1757 84.1729 -91.6074 14.8914 149.446 124.918 140.792 -208.62 PRESSAVG: 3544800 27.1883 -52.1272 -21.4386 -52.1271 2.68058 23.3746 -21.4386 23.3746 20.1117 GPRESSAVG: 3544800 26.8892 -53.4716 -19.9741 -50.8412 1.72115 25.8188 -22.852 22.0193 21.3211 TIMING: 3544800 CPU: 10293.9, 0.00290838/step Wall: 10293.9, 0.00290837/step, 1.17563 hours remaining, 206.226562 MB of memory in use. ENERGY: 3544800 728.3511 2109.0375 1975.9736 113.9157 -206294.9678 17787.3545 0.0000 0.0000 34350.0379 -149230.2975 299.9874 -183580.3354 -149125.5300 299.6164 -95.6806 -64.5637 558202.2572 16.6602 16.6438 PRESSURE: 3545000 30.335 -197.846 -37.9447 -197.845 -53.4806 -95.8334 -37.9446 -95.8332 -163.268 GPRESSURE: 3545000 62.4223 -149.9 -52.1852 -188.368 -56.2709 -78.1085 -29.8242 -16.3308 -91.4202 PRESSAVG: 3545000 26.9196 -11.5491 4.17162 -11.5491 15.3543 8.8869 4.17163 8.887 -53.9242 GPRESSAVG: 3545000 27.6538 -10.9428 3.93663 -12.0693 14.0707 9.08219 5.15002 7.38887 -53.7785 TIMING: 3545000 CPU: 10294.5, 0.00291633/step Wall: 10294.5, 0.00291633/step, 1.17868 hours remaining, 206.226562 MB of memory in use. ENERGY: 3545000 758.1957 2068.3345 1949.2613 117.7825 -206037.5114 17829.3449 0.0000 0.0000 34160.2925 -149154.2999 298.3303 -183314.5925 -149067.7985 299.8196 -62.1380 -28.4229 558272.3800 -3.8834 -4.0180 PRESSURE: 3545200 45.7737 250.336 156.295 250.337 -160.58 -4.27874 156.296 -4.27726 -158.002 GPRESSURE: 3545200 6.67354 180.469 171.697 256.291 -103.639 -9.31939 126.844 24.6432 -76.4601 PRESSAVG: 3545200 -4.48265 -22.2378 -34.2745 -22.2377 -2.54717 -6.17879 -34.2744 -6.17888 -6.62336 GPRESSAVG: 3545200 -4.89566 -23.1543 -34.263 -21.4651 -2.10739 -4.94017 -34.8288 -4.88042 -6.6491 TIMING: 3545200 CPU: 10295, 0.00290729/step Wall: 10295, 0.00290729/step, 1.17487 hours remaining, 206.226562 MB of memory in use. ENERGY: 3545200 696.1633 2071.3872 1961.1403 104.7803 -205928.6224 17614.9124 0.0000 0.0000 34282.4845 -149197.7544 299.3975 -183480.2389 -149102.8040 299.2869 -90.9362 -57.8084 558241.4467 -4.5511 -4.5507 PRESSURE: 3545400 86.8882 -25.6402 -73.0695 -25.6406 149.296 51.677 -73.0719 51.6769 -298.56 GPRESSURE: 3545400 125.011 73.8037 -86.2115 -115.533 198.505 76.3092 -90.4964 17.5992 -289.607 PRESSAVG: 3545400 -10.2473 29.03 -29.9228 29.03 48.1835 -12.9859 -29.9227 -12.986 -47.0383 GPRESSAVG: 3545400 -11.0352 30.756 -28.3757 27.4734 48.564 -12.0343 -32.4838 -14.6905 -47.2068 TIMING: 3545400 CPU: 10295.6, 0.00292217/step Wall: 10295.6, 0.00292217/step, 1.18072 hours remaining, 206.226562 MB of memory in use. ENERGY: 3545400 727.6879 2055.2522 1954.4749 115.6503 -206180.4473 17818.7242 0.0000 0.0000 34244.3708 -149264.2870 299.0646 -183508.6578 -149165.4468 298.7872 -20.7918 11.3027 557673.3925 -3.0340 -3.2260 PRESSURE: 3545600 -51.5219 13.582 -23.1829 13.583 121.719 52.1994 -23.1819 52.1991 -342.085 GPRESSURE: 3545600 -35.7497 -71.6242 -90.6101 77.5419 161.787 97.7805 14.216 101.006 -305.243 PRESSAVG: 3545600 15.2873 -32.6201 -5.23629 -32.6201 37.0476 -1.56154 -5.23622 -1.56154 -66.3715 GPRESSAVG: 3545600 14.2755 -33.781 -7.30296 -33.1768 37.531 -2.27919 -2.9737 -0.303702 -65.6003 TIMING: 3545600 CPU: 10296.2, 0.00291814/step Wall: 10296.2, 0.00291814/step, 1.17893 hours remaining, 206.226562 MB of memory in use. ENERGY: 3545600 722.9516 2079.5522 1996.2863 121.1668 -205971.1306 17678.0316 0.0000 0.0000 34176.9413 -149196.2010 298.4757 -183373.1423 -149096.3082 299.0716 -90.6294 -59.7354 557525.8059 -4.6789 -4.5979 PRESSURE: 3545800 -301.08 98.0155 141.911 98.014 114.694 -23.9018 141.908 -23.9029 50.9971 GPRESSURE: 3545800 -185.755 97.3154 115.395 108.287 120.52 -24.2862 162.08 -37.1077 37.6013 PRESSAVG: 3545800 -34.1356 50.8331 -50.104 50.8331 40.505 -8.3953 -50.104 -8.39532 8.91261 GPRESSAVG: 3545800 -31.9668 50.3395 -49.0643 50.9665 39.7343 -8.59862 -51.0385 -9.04641 7.25695 TIMING: 3545800 CPU: 10296.8, 0.00295141/step Wall: 10296.8, 0.00295141/step, 1.1922 hours remaining, 206.226562 MB of memory in use. ENERGY: 3545800 730.4680 2042.5827 1960.9384 109.3498 -205685.5967 17591.4514 0.0000 0.0000 34075.8409 -149174.9655 297.5928 -183250.8064 -149073.3033 299.4083 -45.1297 -9.2113 556605.7678 5.0940 5.0082 PRESSURE: 3546000 -56.9373 42.0798 35.6113 42.0798 136.923 -82.4108 35.6126 -82.4095 269.277 GPRESSURE: 3546000 -47.0629 82.6841 56.1481 80.6204 183.202 -61.2067 1.50335 -12.4473 299.995 PRESSAVG: 3546000 18.2166 20.0007 -41.7413 20.0007 23.0287 -42.9755 -41.7412 -42.9754 -12.2837 GPRESSAVG: 3546000 18.207 20.0288 -42.7735 20.3359 22.9817 -41.1985 -40.9706 -42.8655 -12.2424 TIMING: 3546000 CPU: 10297.4, 0.00292425/step Wall: 10297.4, 0.00292425/step, 1.18107 hours remaining, 206.226562 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: 3546000 703.0687 2076.2947 1963.8190 108.9136 -206002.8818 17849.7703 0.0000 0.0000 34114.0013 -149187.0142 297.9261 -183301.0155 -149093.9940 298.9968 116.4207 145.3781 556629.6714 9.6539 9.6487 PRESSURE: 3546200 -234.5 -51.5139 -64.3979 -51.5147 -37.7737 33.963 -64.3982 33.9627 -480.607 GPRESSURE: 3546200 -197.346 -27.4075 -36.139 -14.5608 13.825 32.9344 -6.17444 21.3069 -472.617 PRESSAVG: 3546200 -57.5819 81.9477 8.86737 81.9477 81.4901 -35.5515 8.86738 -35.5515 -19.5348 GPRESSAVG: 3546200 -57.2237 82.9017 9.28221 82.3261 82.4845 -37.352 10.607 -34.6169 -20.636 TIMING: 3546200 CPU: 10298, 0.00292165/step Wall: 10298, 0.00292165/step, 1.17986 hours remaining, 206.375000 MB of memory in use. ENERGY: 3546200 770.9348 2097.8489 1952.0989 118.4855 -205936.7047 17384.0567 0.0000 0.0000 34243.3959 -149369.8839 299.0561 -183613.2799 -149277.1726 299.1811 -250.9603 -218.7128 556877.6477 1.4578 1.5416 PRESSURE: 3546400 8.04755 77.0159 36.0725 77.0155 46.4028 75.0243 36.0727 75.0229 71.8314 GPRESSURE: 3546400 109.327 68.0939 -46.2164 59.4777 28.1554 56.4942 105.316 89.0671 97.3849 PRESSAVG: 3546400 -31.4503 17.2599 -48.6102 17.2599 23.7361 -34.1575 -48.6102 -34.1574 20.4477 GPRESSAVG: 3546400 -32.9352 17.2325 -48.7703 15.6371 23.0843 -33.683 -50.2008 -34.8773 22.7247 TIMING: 3546400 CPU: 10298.6, 0.00293363/step Wall: 10298.6, 0.00293363/step, 1.18454 hours remaining, 206.617188 MB of memory in use. ENERGY: 3546400 793.1152 2048.4541 1969.6079 105.5829 -206361.0003 17999.2483 0.0000 0.0000 34138.2815 -149306.7103 298.1381 -183444.9919 -149215.9398 299.0483 42.0939 78.2892 555564.7542 4.2445 4.2913 PRESSURE: 3546600 194.538 89.1895 -36.3016 89.1887 34.7326 -3.00095 -36.3008 -2.99993 149.809 GPRESSURE: 3546600 165.138 -2.22656 -64.9597 59.6093 69.9996 9.01848 8.67279 -66.9452 234.37 PRESSAVG: 3546600 66.5825 59.3742 -48.0658 59.3742 -6.884 34.5855 -48.0657 34.5857 -14.513 GPRESSAVG: 3546600 67.5031 58.7783 -47.454 60.7185 -7.62331 33.5395 -48.3421 34.9416 -15.2627 TIMING: 3546600 CPU: 10299.2, 0.00298054/step Wall: 10299.2, 0.00298054/step, 1.20331 hours remaining, 206.617188 MB of memory in use. ENERGY: 3546600 736.1330 2113.5670 1978.2677 109.7529 -206299.7391 17903.2208 0.0000 0.0000 34182.6163 -149276.1814 298.5253 -183458.7977 -149190.9079 298.8870 126.3600 156.5027 556012.2562 15.0618 14.8723 PRESSURE: 3546800 21.3734 -169.918 -99.1412 -169.919 160.366 21.6431 -99.1396 21.6409 205.623 GPRESSURE: 3546800 61.5788 -45.185 -94.9196 -247.02 198.115 -23.8361 -138.807 64.5655 232.266 PRESSAVG: 3546800 -49.194 -33.3641 -49.9738 -33.3641 29.8398 17.8113 -49.9737 17.8113 -33.1133 GPRESSAVG: 3546800 -49.6281 -30.7729 -49.5773 -34.7968 30.6316 21.463 -49.476 15.5431 -33.4326 TIMING: 3546800 CPU: 10299.7, 0.002937/step Wall: 10299.7, 0.002937/step, 1.18557 hours remaining, 206.617188 MB of memory in use. ENERGY: 3546800 727.6851 2073.4496 1957.8716 108.1590 -206216.8551 17932.9506 0.0000 0.0000 33930.5486 -149486.1904 296.3239 -183416.7391 -149394.9478 298.4291 129.1207 163.9863 554995.0241 -17.4892 -17.4764 PRESSURE: 3547000 -108.316 -53.6637 -37.7661 -53.6637 39.5646 290.811 -37.7652 290.812 312.103 GPRESSURE: 3547000 0.164843 3.78243 -74.2181 -43.2501 51.613 241.69 -60.6648 246.917 290.636 PRESSAVG: 3547000 25.3012 -14.0457 30.6106 -14.0456 20.7187 -36.2773 30.6106 -36.2772 -45.7646 GPRESSAVG: 3547000 26.872 -17.8933 30.1687 -9.99497 20.0755 -39.3956 30.6231 -34.2102 -46.3933 TIMING: 3547000 CPU: 10300.3, 0.00294117/step Wall: 10300.3, 0.00294117/step, 1.18709 hours remaining, 206.617188 MB of memory in use. ENERGY: 3547000 740.3359 2082.3386 1960.5071 106.5843 -206474.8004 17946.6955 0.0000 0.0000 34156.5468 -149481.7921 298.2976 -183638.3389 -149386.5902 297.9481 81.1172 114.1379 556561.5986 0.0851 0.1847 PRESSURE: 3547200 -218.865 -18.9687 -124.383 -18.9697 -129.337 26.7304 -124.383 26.7314 -74.948 GPRESSURE: 3547200 -180.5 -2.14391 -140.289 -44.2307 -117.657 94.8444 -84.2003 -9.87542 -40.753 PRESSAVG: 3547200 45.2887 17.875 -6.21782 17.875 6.2488 -25.0706 -6.21778 -25.0707 -53.8115 GPRESSAVG: 3547200 44.1779 19.9836 -6.11031 13.9904 5.32519 -23.7163 -5.67249 -25.8299 -52.511 TIMING: 3547200 CPU: 10300.9, 0.00290697/step Wall: 10300.9, 0.00290697/step, 1.17312 hours remaining, 206.617188 MB of memory in use. ENERGY: 3547200 732.7781 2052.3315 1965.3817 114.1217 -205953.9882 17522.7597 0.0000 0.0000 34276.1562 -149290.4592 299.3422 -183566.6155 -149197.4456 298.6563 -141.0499 -112.9698 556817.2361 -0.7580 -1.0026 PRESSURE: 3547400 -226.278 135.007 37.1694 135.006 -136.312 -136.565 37.1687 -136.565 -99.9718 GPRESSURE: 3547400 -192.284 131.749 122.197 62.6075 -92.8973 -129.881 -57.2775 -125.883 -84.8489 PRESSAVG: 3547400 -26.7371 64.3588 -1.32936 64.3589 6.74896 -45.5183 -1.32943 -45.5183 35.1361 GPRESSAVG: 3547400 -27.937 65.0172 -1.6276 65.2431 7.96392 -45.7582 -1.63419 -46.5462 34.7493 TIMING: 3547400 CPU: 10301.5, 0.00287999/step Wall: 10301.5, 0.00287999/step, 1.16208 hours remaining, 206.617188 MB of memory in use. ENERGY: 3547400 744.6321 2091.0262 1951.1934 117.1716 -205922.7722 17603.0752 0.0000 0.0000 33991.9987 -149423.6750 296.8606 -183415.6737 -149329.8452 298.5300 -154.1873 -123.3434 557401.9225 5.0493 4.9254 PRESSURE: 3547600 -13.1013 22.2329 -31.6773 22.2336 111.224 167.713 -31.6778 167.712 86.7113 GPRESSURE: 3547600 28.8401 -77.5056 10.1202 61.2606 152.759 170.6 35.6358 42.4141 100.375 PRESSAVG: 3547600 -22.3793 -23.2554 -1.21358 -23.2556 36.0812 1.63524 -1.21362 1.63519 -14.521 GPRESSAVG: 3547600 -21.8324 -25.5816 -1.58691 -20.4831 36.6624 -0.466605 -0.908086 2.38893 -15.6969 TIMING: 3547600 CPU: 10302.1, 0.00288208/step Wall: 10302.1, 0.00288208/step, 1.16276 hours remaining, 206.679688 MB of memory in use. ENERGY: 3547600 728.1502 2110.1972 1947.9468 105.5024 -206739.3371 18099.4381 0.0000 0.0000 34225.0674 -149523.0350 298.8960 -183748.1024 -149428.9639 298.4150 61.6114 93.9914 557101.8348 -0.2730 -0.2890 PRESSURE: 3547800 269.961 75.5818 -97.4443 75.5814 35.0654 50.9185 -97.4449 50.9182 156.685 GPRESSURE: 3547800 352.847 21.8857 -44.8884 97.5274 -13.6451 62.0247 -86.5435 -32.0961 227.703 PRESSAVG: 3547800 -27.5567 39.9302 -51.5906 39.9301 -23.5647 4.63079 -51.5906 4.63083 7.82106 GPRESSAVG: 3547800 -27.161 40.4542 -51.3582 37.9575 -24.6263 5.58602 -51.5894 3.65371 8.74164 TIMING: 3547800 CPU: 10302.6, 0.00289977/step Wall: 10302.6, 0.00289977/step, 1.16974 hours remaining, 206.679688 MB of memory in use. ENERGY: 3547800 738.3653 2066.4494 1957.1904 125.6659 -206343.8179 18013.0389 0.0000 0.0000 34016.0765 -149427.0317 297.0709 -183443.1082 -149329.4124 297.3315 153.9037 188.9684 557937.1583 -14.4335 -14.3486 PRESSURE: 3548000 -226.87 51.0092 -93.1889 51.0076 -104.354 -68.6918 -93.1899 -68.6922 -91.3947 GPRESSURE: 3548000 -105.887 88.6625 -161.319 68.9719 -139.568 -85.457 -50.5576 -76.8632 -72.0982 PRESSAVG: 3548000 16.1729 19.0157 14.7232 19.0156 -36.2215 -28.8463 14.7232 -28.8463 45.7052 GPRESSAVG: 3548000 16.5961 19.7652 14.2616 19.9542 -36.374 -30.1317 15.4104 -27.2524 45.5722 TIMING: 3548000 CPU: 10303.2, 0.00292482/step Wall: 10303.2, 0.00292482/step, 1.17968 hours remaining, 206.679688 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: 3548000 801.2035 2089.3071 1953.0225 103.6497 -206201.5110 17657.9364 0.0000 0.0000 34125.4181 -149470.9737 298.0258 -183596.3918 -149379.9425 297.9314 -140.8731 -105.8512 558401.4024 8.5522 8.5981 PRESSURE: 3548200 -78.9413 18.134 64.0303 18.1333 -259.348 67.8517 64.0306 67.8509 -191.181 GPRESSURE: 3548200 -74.5684 -57.0425 110.837 57.6158 -170.033 76.5941 152.697 132.693 -182.714 PRESSAVG: 3548200 39.9662 -41.578 -61.5415 -41.578 -44.7569 -13.1787 -61.5415 -13.1787 7.42975 GPRESSAVG: 3548200 39.4682 -41.4001 -62.1081 -41.9851 -45.3388 -12.2632 -61.164 -14.3949 7.7994 TIMING: 3548200 CPU: 10303.8, 0.00289469/step Wall: 10303.8, 0.00289469/step, 1.16736 hours remaining, 206.679688 MB of memory in use. ENERGY: 3548200 727.9140 2059.1058 1964.1200 123.4925 -206048.4730 17658.0358 0.0000 0.0000 34085.7465 -149430.0583 297.6793 -183515.8048 -149333.4122 298.6086 -176.4901 -142.4383 558218.8155 0.8797 0.6429 LDB: ============= START OF LOAD BALANCING ============== 10307.3 LDB: ============== END OF LOAD BALANCING =============== 10307.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10307.3 LDB: ============= START OF LOAD BALANCING ============== 10307.6 LDB: Largest compute 4820 load 0.032497 is 27.6% of average load 0.117866 LDB: Average compute 0.001733 is 1.5% of average load 0.117866 LDB: TIME 10307.6 LOAD: AVG 0.117866 MAX 0.178903 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 10307.6 LOAD: AVG 0.117866 MAX 0.178903 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: TIME 10307.6 LOAD: AVG 0.117866 MAX 0.178903 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10307.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10307.6 PRESSURE: 3548400 -399.544 -29.9673 -76.699 -29.9675 108.653 -75.9039 -76.7001 -75.9029 54.6833 GPRESSURE: 3548400 -331.111 -74.5768 -180.445 46.1127 69.6203 -169.942 -81.7101 -49.3003 119.113 PRESSAVG: 3548400 118.832 54.9737 2.85703 54.9737 -46.4057 15.7221 2.85703 15.7221 -43.5833 GPRESSAVG: 3548400 118.818 55.0355 2.97113 55.7617 -46.3201 13.6908 1.93971 16.4204 -43.7559 TIMING: 3548400 CPU: 10304.4, 0.00296815/step Wall: 10304.4, 0.00296814/step, 1.19682 hours remaining, 207.101562 MB of memory in use. ENERGY: 3548400 766.9825 2079.5798 1939.7800 99.1338 -206324.7512 17815.0129 0.0000 0.0000 34174.1814 -149450.0809 298.4516 -183624.2623 -149360.2590 298.3683 -78.7360 -47.4593 557610.2975 9.6142 9.5807 PRESSURE: 3548600 -41.9033 -98.7574 5.76875 -98.7568 -350.828 40.2764 5.76995 40.2772 -221.236 GPRESSURE: 3548600 -23.9589 -167.156 29.1904 -31.7838 -293.21 96.1613 -44.5648 23.6107 -190.578 PRESSAVG: 3548600 -6.17235 -22.3573 -55.5556 -22.3573 -62.0248 16.5795 -55.5556 16.5795 34.7867 GPRESSAVG: 3548600 -5.92531 -22.769 -54.9592 -23.0002 -62.2251 19.155 -56.5542 17.0954 34.9422 TIMING: 3548600 CPU: 10305, 0.00291094/step Wall: 10305, 0.00291094/step, 1.17359 hours remaining, 207.304688 MB of memory in use. ENERGY: 3548600 743.7808 2055.4060 1971.2860 104.0232 -205927.0790 17675.7307 0.0000 0.0000 34086.4126 -149290.4399 297.6851 -183376.8524 -149201.8064 298.0827 -204.6557 -169.2487 559190.6794 -11.1368 -11.0694 PRESSURE: 3548800 -359.763 -46.7397 -179.855 -46.7394 -367.107 193.663 -179.856 193.662 -318.509 GPRESSURE: 3548800 -349.605 -104.246 -177.745 -79.2103 -306.926 71.4876 -164.614 274.831 -291.03 PRESSAVG: 3548800 25.3713 -41.4515 -27.2333 -41.4515 24.1058 29.6558 -27.2334 29.6559 -42.718 GPRESSAVG: 3548800 25.1604 -41.0006 -28.767 -42.7759 24.4301 30.9083 -25.5273 28.2382 -42.7282 TIMING: 3548800 CPU: 10305.6, 0.00290483/step Wall: 10305.6, 0.00290483/step, 1.17097 hours remaining, 207.304688 MB of memory in use. ENERGY: 3548800 761.2823 1990.2231 1981.3023 102.8596 -205831.9145 17536.6766 0.0000 0.0000 34132.6475 -149326.9231 298.0889 -183459.5706 -149229.5613 298.8698 -348.4597 -315.8539 560336.2370 2.2530 2.2874 PRESSURE: 3549000 11.6949 -226.075 -13.5343 -226.075 41.4056 -78.46 -13.5354 -78.4598 196.999 GPRESSURE: 3549000 53.0886 -197.05 -22.5417 -241.451 16.9494 -33.4938 -76.2107 -99.4422 269.687 PRESSAVG: 3549000 24.9318 -74.1218 28.4232 -74.1218 17.2724 17.3269 28.4233 17.327 -15.1282 GPRESSAVG: 3549000 24.6863 -74.0107 28.647 -72.6759 17.4857 15.8234 28.0557 17.1012 -15.3935 TIMING: 3549000 CPU: 10306.2, 0.00293663/step Wall: 10306.2, 0.00293663/step, 1.18362 hours remaining, 207.304688 MB of memory in use. ENERGY: 3549000 734.7697 2120.4181 1973.0242 117.5745 -206523.8862 18072.4242 0.0000 0.0000 34176.3471 -149329.3284 298.4705 -183505.6755 -149237.1580 298.7211 83.3666 113.2416 559646.1945 9.0253 8.9262 PRESSURE: 3549200 192.251 52.0928 57.3769 52.092 -61.2197 -61.8952 57.3766 -61.8956 165.225 GPRESSURE: 3549200 249.204 40.0693 120.486 -27.2776 -46.2222 -151.005 -0.312302 48.4537 192.461 PRESSAVG: 3549200 -22.1421 -51.1156 -49.5044 -51.1157 20.0792 -8.08756 -49.5045 -8.08759 6.62834 GPRESSAVG: 3549200 -21.9562 -50.1863 -48.4702 -53.5046 21.7542 -8.43511 -50.7257 -7.23069 5.33386 TIMING: 3549200 CPU: 10306.7, 0.00291646/step Wall: 10306.7, 0.00291646/step, 1.17533 hours remaining, 207.304688 MB of memory in use. ENERGY: 3549200 726.7377 2096.3705 1953.6368 113.0857 -206613.1242 18077.1003 0.0000 0.0000 34260.1334 -149386.0599 299.2023 -183646.1933 -149292.9721 297.5394 98.7518 131.8143 557977.4631 1.5218 1.7106 PRESSURE: 3549400 -7.54828 -0.950112 -5.56487 -0.949721 -73.7471 -10.5979 -5.56443 -10.5974 -274.276 GPRESSURE: 3549400 60.443 6.7734 -26.1631 67.6791 -25.562 -19.4965 59.2962 14.414 -295.802 PRESSAVG: 3549400 39.2897 -10.522 29.3815 -10.5218 9.49331 15.0264 29.3814 15.0265 -7.99099 GPRESSAVG: 3549400 39.7001 -11.7789 30.658 -7.64946 7.36708 16.8085 28.3478 13.151 -7.06802 TIMING: 3549400 CPU: 10307.3, 0.0029477/step Wall: 10307.3, 0.0029477/step, 1.18776 hours remaining, 207.304688 MB of memory in use. ENERGY: 3549400 754.9681 2101.9382 1961.7545 115.6205 -206383.8305 17758.5731 0.0000 0.0000 34169.1826 -149521.7934 298.4080 -183690.9760 -149429.5640 298.2041 -118.5239 -86.9737 556970.1597 13.5974 13.3330 PRESSURE: 3549600 -41.5734 149.134 -44.4833 149.134 -112.949 50.936 -44.4831 50.9387 -66.3044 GPRESSURE: 3549600 -61.1502 156.497 -62.9651 138.564 -9.28378 70.6662 -12.753 94.9776 -44.1373 PRESSAVG: 3549600 50.0428 28.5892 -14.213 28.5891 15.0493 -44.5801 -14.213 -44.5802 -32.2179 GPRESSAVG: 3549600 47.937 28.9089 -16.0472 27.5143 17.1233 -45.5464 -14.6831 -42.7291 -31.7009 TIMING: 3549600 CPU: 10307.9, 0.00290646/step Wall: 10307.9, 0.00290646/step, 1.17098 hours remaining, 207.304688 MB of memory in use. ENERGY: 3549600 731.8624 2112.8168 1958.6468 109.9384 -206166.9294 17573.0531 0.0000 0.0000 34189.6094 -149491.0026 298.5864 -183680.6120 -149394.5519 298.8661 -73.6090 -38.1905 555990.9007 10.9581 11.1198 PRESSURE: 3549800 -135.232 64.2327 36.792 64.2333 -29.7236 86.6708 36.7916 86.6696 10.645 GPRESSURE: 3549800 -87.2522 137.096 -0.687307 80.6795 7.89264 101.518 114.427 81.4586 12.6152 PRESSAVG: 3549800 3.45734 2.82571 21.7218 2.82574 17.5907 35.7064 21.7217 35.7063 -32.0051 GPRESSAVG: 3549800 4.86637 3.34798 21.8587 1.95951 15.8397 34.2864 22.4676 36.2532 -31.9951 TIMING: 3549800 CPU: 10308.5, 0.00290072/step Wall: 10308.5, 0.00290072/step, 1.16851 hours remaining, 207.304688 MB of memory in use. ENERGY: 3549800 753.0846 2058.9557 1964.0465 110.1944 -206611.3378 17804.7839 0.0000 0.0000 34366.3164 -149553.9564 300.1296 -183920.2728 -149458.8614 297.9542 -51.4368 -22.2481 557113.4776 -3.6524 -3.7630 PRESSURE: 3550000 167.279 49.0653 -54.0855 49.0638 89.2886 -14.2358 -54.0857 -14.2345 -107.642 GPRESSURE: 3550000 161.67 -25.2481 -11.7269 106.102 167.363 -28.8603 -55.5285 89.3164 -74.7053 PRESSAVG: 3550000 -15.3612 -10.3387 57.1947 -10.3387 36.9324 38.1558 57.1947 38.1558 11.5098 GPRESSAVG: 3550000 -14.3452 -11.3843 58.8787 -7.08333 37.5316 39.5105 55.0698 38.1129 10.1078 TIMING: 3550000 CPU: 10309.1, 0.00291051/step Wall: 10309.1, 0.00291051/step, 1.17229 hours remaining, 207.304688 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: 3550000 760.4428 2045.6777 1961.7489 107.9501 -206454.4183 17986.3102 0.0000 0.0000 34050.1078 -149542.1808 297.3681 -183592.2887 -149450.5622 298.6785 49.6420 84.7759 557306.7547 11.0270 11.0981 PRESSURE: 3550200 99.3594 -115.654 139.799 -115.653 36.6067 -48.8779 139.798 -48.8775 -147.163 GPRESSURE: 3550200 93.7553 -67.2317 193.251 -162.621 78.2605 -54.7389 135.341 -70.6581 -98.0587 PRESSAVG: 3550200 33.6186 -26.3559 -38.5591 -26.3558 15.4612 -32.3402 -38.559 -32.3402 -17.3676 GPRESSAVG: 3550200 32.5699 -26.9 -38.591 -29.8873 16.0251 -33.7756 -38.1313 -33.5018 -16.5661 TIMING: 3550200 CPU: 10309.7, 0.00292285/step Wall: 10309.7, 0.00292285/step, 1.1771 hours remaining, 207.363281 MB of memory in use. ENERGY: 3550200 754.9559 2041.5861 1945.5272 102.6168 -206487.3661 17837.0066 0.0000 0.0000 34233.2330 -149572.4405 298.9673 -183805.6735 -149470.7105 298.3903 -3.7323 24.6524 557334.8018 10.5707 10.6763 PRESSURE: 3550400 -338.654 -62.4356 -117.885 -62.4351 -128.442 -23.9373 -117.886 -23.938 -121.205 GPRESSURE: 3550400 -280.482 -88.1538 -73.9238 -12.8207 -131.643 -11.2568 -129.636 -35.9117 -80.1699 PRESSAVG: 3550400 10.9956 0.832101 -2.83791 0.83204 42.0663 -17.9851 -2.83787 -17.985 -81.9451 GPRESSAVG: 3550400 11.8264 2.38921 -4.77626 1.74711 40.6533 -20.4277 -1.31828 -16.9838 -81.0487 TIMING: 3550400 CPU: 10310.2, 0.0028886/step Wall: 10310.2, 0.0028886/step, 1.16314 hours remaining, 207.363281 MB of memory in use. ENERGY: 3550400 736.1132 2095.4652 1971.6255 112.0450 -206423.1379 17513.1862 0.0000 0.0000 34364.8063 -149629.8966 300.1164 -183994.7029 -149532.4532 298.7265 -196.1003 -164.0983 557330.2205 -9.6277 -9.5230 PRESSURE: 3550600 -53.3424 49.3327 118.208 49.3316 -217.126 38.0197 118.207 38.0199 -313.467 GPRESSURE: 3550600 -22.6166 55.0781 103.209 46.5069 -212.914 21.3957 91.2033 116.903 -255.713 PRESSAVG: 3550600 3.28393 -32.3249 57.2155 -32.3249 3.98662 -23.9046 57.2155 -23.9046 1.92515 GPRESSAVG: 3550600 2.38862 -33.072 56.4804 -30.8594 5.44104 -22.2954 57.3797 -24.0238 1.66565 TIMING: 3550600 CPU: 10310.8, 0.00289829/step Wall: 10310.8, 0.00289829/step, 1.16688 hours remaining, 207.363281 MB of memory in use. ENERGY: 3550600 753.6651 2085.1423 1938.6318 120.9540 -205912.4306 17593.2503 0.0000 0.0000 34002.6526 -149418.1345 296.9536 -183420.7871 -149319.5443 298.1528 -194.6453 -163.7477 557631.6344 3.0652 3.1651 PRESSURE: 3550800 -65.5544 -115.427 140.212 -115.427 118.688 65.9513 140.213 65.9509 327.631 GPRESSURE: 3550800 -37.7766 -74.5197 164.97 -119.638 173.334 38.4379 188.27 81.847 341.995 PRESSAVG: 3550800 4.47403 13.0987 -1.52579 13.0988 -33.5087 75.0931 -1.52586 75.0933 17.2105 GPRESSAVG: 3550800 5.17706 11.7405 -0.95685 12.4475 -34.0332 75.6161 -0.706557 74.0326 17.245 TIMING: 3550800 CPU: 10311.4, 0.00293539/step Wall: 10311.4, 0.00293539/step, 1.18166 hours remaining, 207.363281 MB of memory in use. ENERGY: 3550800 719.7319 2082.3280 1938.7002 114.2929 -206454.4693 18012.7982 0.0000 0.0000 34177.4624 -149409.1557 298.4803 -183586.6181 -149309.2051 297.8335 126.9215 159.1838 556113.4391 -3.9414 -3.8704 PRESSURE: 3551000 102.522 -12.0384 -75.2567 -12.0376 190.217 -6.97776 -75.2557 -6.97956 136.871 GPRESSURE: 3551000 119.078 38.3245 -71.9499 -7.86089 221.19 -102.289 -91.0849 23.5349 190.835 PRESSAVG: 3551000 -12.3041 -28.5188 32.9608 -28.5187 27.1495 -18.2606 32.9608 -18.2607 -49.6223 GPRESSAVG: 3551000 -14.148 -26.1631 32.9859 -30.4465 27.3207 -18.4444 31.6596 -16.5569 -48.6698 TIMING: 3551000 CPU: 10312, 0.00292109/step Wall: 10312, 0.00292109/step, 1.17574 hours remaining, 207.363281 MB of memory in use. ENERGY: 3551000 733.1926 2059.3667 1950.2383 113.3286 -206418.7413 17948.9385 0.0000 0.0000 34175.5947 -149438.0819 298.4640 -183613.6766 -149351.1376 298.4435 143.2035 177.0344 556800.8281 -11.5923 -11.8324 PRESSURE: 3551200 312.004 78.3773 40.4542 78.3775 -21.3058 46.2857 40.4539 46.2856 -202.884 GPRESSURE: 3551200 377.352 12.0477 48.1991 56.685 -11.4663 68.0231 -6.05398 47.6243 -168.854 PRESSAVG: 3551200 39.9567 -51.6001 -14.9057 -51.6 13.1386 43.7207 -14.9056 43.7207 -10.1999 GPRESSAVG: 3551200 39.3698 -52.1062 -14.656 -51.1587 12.9544 46.204 -15.3433 41.6662 -9.77787 TIMING: 3551200 CPU: 10312.6, 0.00290469/step Wall: 10312.6, 0.00290469/step, 1.16898 hours remaining, 207.363281 MB of memory in use. ENERGY: 3551200 767.1363 2046.2072 1958.2242 119.9246 -206329.0259 17976.7918 0.0000 0.0000 34281.0486 -149179.6933 299.3849 -183460.7418 -149077.7364 299.1306 29.2714 65.6772 557561.3189 14.2985 14.1821 PRESSURE: 3551400 -262.016 37.6712 124.885 37.6724 -62.3436 -0.251177 124.885 -0.25056 -54.7953 GPRESSURE: 3551400 -200.175 88.3128 180.279 47.7508 -54.0586 5.82727 98.7177 21.4418 -28.0488 PRESSAVG: 3551400 43.9171 -18.4633 52.0922 -18.4633 -3.22937 20.3469 52.0923 20.3469 -45.0294 GPRESSAVG: 3551400 44.0243 -17.8271 53.969 -19.3771 -2.77653 19.1483 50.0273 19.9089 -45.5901 TIMING: 3551400 CPU: 10313.2, 0.00292827/step Wall: 10313.2, 0.00292827/step, 1.1783 hours remaining, 207.363281 MB of memory in use. ENERGY: 3551400 716.5464 2135.1962 1945.8736 125.2005 -205642.9882 17544.0831 0.0000 0.0000 34139.3565 -149036.7319 298.1475 -183176.0884 -148935.1978 299.0267 -126.3849 -94.0942 557636.6715 -1.4472 -1.4475 PRESSURE: 3551600 -118.538 12.6876 -72.169 12.687 -215.039 151.405 -72.1675 151.404 -142.044 GPRESSURE: 3551600 -141.812 102.383 -117.729 45.0052 -155.609 184.992 -82.0027 98.3555 -84.4584 PRESSAVG: 3551600 -5.76697 11.777 32.8099 11.7771 31.3579 19.013 32.8099 19.0129 -31.6843 GPRESSAVG: 3551600 -5.68897 10.7772 29.1949 14.4777 31.1894 18.3015 33.8025 21.5903 -31.5072 TIMING: 3551600 CPU: 10313.7, 0.00297809/step Wall: 10313.7, 0.00297809/step, 1.19819 hours remaining, 207.363281 MB of memory in use. ENERGY: 3551600 733.9251 2109.2837 1989.8056 106.5902 -205811.5621 17678.5118 0.0000 0.0000 34270.2678 -148923.1780 299.2908 -183193.4458 -148833.5602 299.7823 -158.5404 -127.2933 559413.8094 -2.0311 -2.0022 PRESSURE: 3551800 -115.426 -32.7321 -36.4834 -32.7319 -229.693 -6.25193 -36.4834 -6.25113 -58.1365 GPRESSURE: 3551800 -107.737 -23.1622 101.565 11.8525 -103.633 -97.139 -25.1698 17.3073 -101.466 PRESSAVG: 3551800 25.7093 7.88962 -31.0845 7.88963 22.9687 19.5188 -31.0845 19.5188 -68.7284 GPRESSAVG: 3551800 26.6312 4.8052 -29.3 8.26325 22.3551 19.2249 -29.6362 16.653 -68.4045 TIMING: 3551800 CPU: 10314.3, 0.0029974/step Wall: 10314.3, 0.0029974/step, 1.20579 hours remaining, 207.363281 MB of memory in use. ENERGY: 3551800 729.3049 2087.1264 1952.4585 113.0685 -205963.8387 17701.4768 0.0000 0.0000 34319.5933 -149060.8104 299.7215 -183380.4036 -148964.2556 299.5637 -134.4185 -104.2787 559763.0697 -6.6835 -6.4727 PRESSURE: 3552000 -71.2562 99.7182 -27.3692 99.7193 -40.6437 -132.518 -27.3692 -132.518 -305.511 GPRESSURE: 3552000 -46.1275 100.6 95.5374 75.8519 -21.6234 -65.9839 -68.7395 -171.282 -250.202 PRESSAVG: 3552000 89.1473 14.5864 -23.3287 14.5864 -75.0685 7.23739 -23.3287 7.23736 -35.4234 GPRESSAVG: 3552000 87.6603 18.3554 -22.2387 11.4407 -73.9515 8.99973 -23.6281 7.24404 -35.0772 TIMING: 3552000 CPU: 10314.9, 0.0029749/step Wall: 10314.9, 0.0029749/step, 1.19657 hours remaining, 207.363281 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: 3552000 755.3922 2063.8434 1961.3666 112.1046 -206004.5983 17807.2808 0.0000 0.0000 34208.9637 -149095.6470 298.7554 -183304.6107 -148994.8377 298.8332 -139.1371 -105.9844 561382.6157 -7.1149 -7.1228 PRESSURE: 3552200 14.9091 110.734 85.3114 110.735 -149.014 -24.3474 85.3112 -24.3471 210.246 GPRESSURE: 3552200 -2.25363 30.0087 92.9858 143.551 -68.7871 -33.9303 128.163 -60.6171 235.638 PRESSAVG: 3552200 -8.22734 17.3693 -65.4752 17.3693 4.10988 -37.3719 -65.4752 -37.3718 -71.9291 GPRESSAVG: 3552200 -5.66168 16.4055 -65.8752 19.2694 4.07309 -40.583 -65.5866 -36.6193 -74.4118 TIMING: 3552200 CPU: 10315.5, 0.00294754/step Wall: 10315.5, 0.00294754/step, 1.1854 hours remaining, 207.363281 MB of memory in use. ENERGY: 3552200 761.7859 2147.8937 1951.2288 116.9305 -206495.6739 18073.1935 0.0000 0.0000 34379.9479 -149064.6937 300.2486 -183444.6416 -148962.9376 298.8170 25.3803 54.8657 559409.5729 -25.3488 -25.3335 LDB: ============= START OF LOAD BALANCING ============== 10319 LDB: ============== END OF LOAD BALANCING =============== 10319 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10319 LDB: ============= START OF LOAD BALANCING ============== 10319.3 LDB: Largest compute 4820 load 0.032505 is 27.6% of average load 0.117837 LDB: Average compute 0.001734 is 1.5% of average load 0.117837 LDB: TIME 10319.3 LOAD: AVG 0.117837 MAX 0.180043 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.961 MB LDB: TIME 10319.3 LOAD: AVG 0.117837 MAX 0.180043 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: TIME 10319.3 LOAD: AVG 0.117837 MAX 0.180043 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: ============== END OF LOAD BALANCING =============== 10319.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10319.3 PRESSURE: 3552400 -51.595 16.7153 45.1077 16.7144 161.982 -47.3955 45.1078 -47.3947 -208.714 GPRESSURE: 3552400 -23.6299 2.4404 -40.6132 -55.3337 187.375 -47.5469 128.549 39.3168 -159.097 PRESSAVG: 3552400 10.9153 29.467 15.668 29.467 -34.2972 6.24785 15.6678 6.2479 39.7048 GPRESSAVG: 3552400 9.0677 28.7923 15.4131 28.8977 -35.1534 6.50318 16.2173 7.66118 42.1144 TIMING: 3552400 CPU: 10316.1, 0.00297308/step Wall: 10316.1, 0.00297308/step, 1.19551 hours remaining, 206.128906 MB of memory in use. ENERGY: 3552400 778.5819 2091.5971 1952.8704 129.2783 -206287.2588 17951.0798 0.0000 0.0000 34196.9544 -149186.8969 298.6505 -183383.8513 -149095.7860 299.5262 -32.7756 1.5492 557765.8958 5.4410 5.3429 PRESSURE: 3552600 9.10828 14.1887 -26.5776 14.1897 -274.338 -187.228 -26.5786 -187.229 -409.018 GPRESSURE: 3552600 59.2725 23.3058 64.4253 1.80949 -270.192 -153.612 -47.9626 -172.775 -379.33 PRESSAVG: 3552600 51.1893 1.04257 -40.752 1.04262 -29.8387 -33.2268 -40.7521 -33.2268 -55.3286 GPRESSAVG: 3552600 52.5633 1.30011 -41.6753 2.12421 -30.8624 -33.6295 -39.719 -32.9275 -55.788 TIMING: 3552600 CPU: 10316.7, 0.00290921/step Wall: 10316.7, 0.00290921/step, 1.16967 hours remaining, 206.332031 MB of memory in use. ENERGY: 3552600 744.9638 2041.3343 1950.7632 108.1585 -205623.8257 17447.3391 0.0000 0.0000 34046.9072 -149284.3595 297.3401 -183331.2667 -149182.7434 298.7826 -224.7494 -196.7499 558608.1718 -11.3260 -11.3623 PRESSURE: 3552800 -268.335 -19.2276 -64.8521 -19.227 -220.79 -46.224 -64.8521 -46.2249 16.0891 GPRESSURE: 3552800 -213.689 14.9734 -56.6536 28.061 -205.64 -32.4561 -76.5702 5.5388 42.1878 PRESSAVG: 3552800 14.5394 -18.8812 -4.78618 -18.8812 -3.31658 -13.7291 -4.78619 -13.7292 -16.8035 GPRESSAVG: 3552800 13.842 -18.2046 -2.77428 -20.0413 -2.12623 -12.4511 -6.90082 -14.4108 -17.1901 TIMING: 3552800 CPU: 10317.3, 0.00291766/step Wall: 10317.3, 0.00291766/step, 1.1729 hours remaining, 206.332031 MB of memory in use. ENERGY: 3552800 750.2449 2043.2517 1957.8898 112.9087 -205763.7191 17524.3727 0.0000 0.0000 34191.6629 -149183.3884 298.6043 -183375.0512 -149081.9986 298.3598 -157.6788 -125.7135 558562.4321 -1.8602 -1.8248 PRESSURE: 3553000 49.1985 -0.789522 63.3699 -0.789589 -233.7 -47.6789 63.3703 -47.6779 125.729 GPRESSURE: 3553000 36.3547 -64.0252 81.5786 10.6055 -109.691 -125.593 24.6867 -36.4976 97.4391 PRESSAVG: 3553000 61.4698 15.4069 -28.8979 15.4068 -70.4251 -12.3055 -28.8979 -12.3056 3.35641 GPRESSAVG: 3553000 60.7582 13.9331 -29.1704 17.3571 -69.0717 -12.9749 -29.7062 -13.3769 2.87834 TIMING: 3553000 CPU: 10317.9, 0.00291979/step Wall: 10317.9, 0.00291979/step, 1.17359 hours remaining, 206.332031 MB of memory in use. ENERGY: 3553000 699.9763 2091.0970 1968.1263 130.3701 -206240.5065 17941.8463 0.0000 0.0000 34140.9424 -149268.1480 298.1613 -183409.0904 -149171.0700 298.7625 -19.5908 8.0344 558710.1866 -1.8663 -1.8117 PRESSURE: 3553200 125.456 80.1838 -8.39156 80.1839 183.541 -32.7663 -8.39115 -32.7663 40.8605 GPRESSURE: 3553200 142.672 82.873 -4.50351 85.2464 201.411 -1.47112 -89.4401 -45.5304 91.4375 PRESSAVG: 3553200 -9.88132 36.1284 -5.89709 36.1284 43.9899 -1.07156 -5.89707 -1.07154 -48.4923 GPRESSAVG: 3553200 -9.71554 37.623 -6.89844 35.8403 43.0246 -0.461824 -4.28955 0.318359 -47.7134 TIMING: 3553200 CPU: 10318.5, 0.00291511/step Wall: 10318.5, 0.00291511/step, 1.17155 hours remaining, 206.332031 MB of memory in use. ENERGY: 3553200 759.3327 2085.1598 1956.3797 125.7465 -206613.0437 18095.8215 0.0000 0.0000 34363.0487 -149227.5547 300.1011 -183590.6035 -149136.6704 299.4523 116.6192 145.1735 558791.5392 -4.7946 -4.8015 PRESSURE: 3553400 -93.1429 -50.9991 48.6542 -50.9989 93.999 -180.072 48.6545 -180.072 1.77173 GPRESSURE: 3553400 -5.68256 -58.5695 20.94 -70.8885 139.102 -169.924 -10.452 -152.656 -26.8923 PRESSAVG: 3553400 -4.69365 29.4749 -56.1236 29.4749 21.1812 4.5535 -56.1237 4.55355 -64.9083 GPRESSAVG: 3553400 -3.80061 29.8683 -55.1705 27.803 21.5965 4.78117 -59.3033 3.93436 -65.7898 TIMING: 3553400 CPU: 10319, 0.00293459/step Wall: 10319, 0.00293459/step, 1.17922 hours remaining, 206.332031 MB of memory in use. ENERGY: 3553400 755.9365 2159.1430 1943.4016 130.4653 -206001.5263 17724.5546 0.0000 0.0000 34173.8090 -149114.2162 298.4484 -183288.0252 -149016.6102 299.4351 0.8759 35.5091 556823.7487 -16.1403 -15.9980 PRESSURE: 3553600 -256.648 48.7941 -13.4294 48.7931 -147.138 -15.712 -13.4287 -15.71 -278.181 GPRESSURE: 3553600 -252.933 72.3993 -42.2789 -13.9881 -98.369 -68.4818 -17.5438 38.2498 -227.244 PRESSAVG: 3553600 -7.00772 19.1624 -28.255 19.1624 30.8956 22.7571 -28.2551 22.7571 -41.4828 GPRESSAVG: 3553600 -8.14408 17.4928 -29.5776 21.0607 31.4931 22.5233 -26.671 21.7103 -40.8526 TIMING: 3553600 CPU: 10319.6, 0.00292505/step Wall: 10319.6, 0.00292505/step, 1.17522 hours remaining, 206.332031 MB of memory in use. ENERGY: 3553600 800.8154 2010.5556 1940.2527 109.8270 -205821.9328 17570.3357 0.0000 0.0000 34383.8874 -149006.2591 300.2830 -183390.1465 -148902.5189 299.8521 -227.3224 -192.8487 558495.7857 -5.8650 -5.8345 PRESSURE: 3553800 137.771 -124.111 -249.714 -124.111 183.021 -27.7667 -249.715 -27.7667 296.116 GPRESSURE: 3553800 200.043 -150.844 -242.17 -182.411 230.84 -23.5165 -266.7 30.583 276.492 PRESSAVG: 3553800 20.5272 17.807 -36.5654 17.807 24.7439 34.111 -36.5654 34.111 -3.35367 GPRESSAVG: 3553800 20.1248 20.5627 -35.6456 15.841 24.1787 34.4628 -35.251 33.5807 -2.55542 TIMING: 3553800 CPU: 10320.2, 0.00291703/step Wall: 10320.2, 0.00291703/step, 1.17184 hours remaining, 206.332031 MB of memory in use. ENERGY: 3553800 727.7278 2126.0924 1959.2471 118.8685 -206376.9350 18068.8344 0.0000 0.0000 34415.6131 -148960.5517 300.5601 -183376.1648 -148860.9969 300.0256 205.6360 235.7918 558513.6755 13.9725 13.9160 PRESSURE: 3554000 -86.6896 -58.9175 115.909 -58.9176 66.4277 112.437 115.909 112.436 118.927 GPRESSURE: 3554000 -50.4599 -54.6481 67.0596 -31.251 86.0306 136.133 160.752 55.8178 143.988 PRESSAVG: 3554000 15.8869 13.3368 -6.96754 13.3367 1.04878 -19.0614 -6.96759 -19.0614 -17.1829 GPRESSAVG: 3554000 17.9134 11.8964 -8.76102 14.2386 -0.124807 -21.6023 -7.96048 -15.2291 -18.148 TIMING: 3554000 CPU: 10320.8, 0.00293145/step Wall: 10320.8, 0.00293145/step, 1.17747 hours remaining, 206.332031 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: 3554000 760.2373 2120.7049 1947.0358 113.0161 -205739.7330 17768.2576 0.0000 0.0000 34215.5424 -148814.9388 298.8128 -183030.4812 -148719.8535 299.6503 32.8884 59.8529 558470.8594 -0.0824 -0.1198 PRESSURE: 3554200 108.853 -100.251 -63.7735 -100.249 212.05 -172.932 -63.7747 -172.933 -134.161 GPRESSURE: 3554200 91.5151 -100.287 -97.9142 -60.7656 264.421 -132.291 1.58296 -133.879 -74.3561 PRESSAVG: 3554200 11.9413 16.6162 1.88098 16.6162 -31.9305 -13.5511 1.881 -13.551 18.2078 GPRESSAVG: 3554200 10.6563 19.0844 2.81163 14.9321 -31.3247 -10.4989 2.73449 -15.4679 18.7002 TIMING: 3554200 CPU: 10321.4, 0.00290987/step Wall: 10321.4, 0.00290987/step, 1.16864 hours remaining, 206.332031 MB of memory in use. ENERGY: 3554200 737.6289 2110.8875 1977.5669 126.0361 -205908.0971 17718.9506 0.0000 0.0000 34290.9158 -148946.1113 299.4711 -183237.0271 -148851.8511 299.6469 62.2473 93.8602 557822.3907 -0.5938 -0.6561 PRESSURE: 3554400 97.75 -147.911 93.4813 -147.91 -365.405 -44.3809 93.4816 -44.3826 -76.1127 GPRESSURE: 3554400 184.741 -182.712 111.315 -134.094 -294.912 -119.235 64.9362 -36.6401 -128.685 PRESSAVG: 3554400 50.7357 -42.2933 -7.02343 -42.2933 -23.6708 -14.1815 -7.0234 -14.1815 17.3644 GPRESSAVG: 3554400 51.1591 -44.2956 -6.13414 -40.9085 -24.472 -16.095 -9.34163 -13.2806 17.1779 TIMING: 3554400 CPU: 10322, 0.00290066/step Wall: 10322, 0.00290066/step, 1.16478 hours remaining, 206.332031 MB of memory in use. ENERGY: 3554400 771.4186 2120.0640 1966.6072 113.2686 -206192.2271 17817.7252 0.0000 0.0000 34373.2589 -149029.8845 300.1902 -183403.1435 -148934.1974 299.6444 -114.5891 -79.6189 558033.2679 14.8098 14.6217 PRESSURE: 3554600 104.024 -86.1523 18.2677 -86.1527 -36.9152 -130.313 18.267 -130.313 -114.318 GPRESSURE: 3554600 129.727 0.15805 48.3382 -116.08 -16.0577 -134.79 -36.4903 -82.0434 -64.3388 PRESSAVG: 3554600 23.7549 -3.82422 -51.7754 -3.82426 -29.1031 11.4519 -51.7753 11.4517 33.1234 GPRESSAVG: 3554600 23.4329 -3.79091 -50.7364 -2.63159 -28.3084 13.5718 -49.9573 8.24596 32.5185 TIMING: 3554600 CPU: 10322.5, 0.00290784/step Wall: 10322.5, 0.00290784/step, 1.1675 hours remaining, 206.332031 MB of memory in use. ENERGY: 3554600 750.6085 2089.9679 1965.4604 115.5873 -206639.6098 18047.5862 0.0000 0.0000 34239.5338 -149430.8657 299.0224 -183670.3995 -149330.6455 299.3609 -15.7364 16.4436 556429.3455 9.2584 9.2144 PRESSURE: 3554800 -144.177 70.8666 -1.07832 70.8671 -8.77073 -21.0966 -1.0788 -21.0973 -275.944 GPRESSURE: 3554800 -89.7638 51.1251 -19.5931 100.137 -18.6485 -75.5236 26.5296 -11.4446 -233.792 PRESSAVG: 3554800 -64.334 16.7545 -25.017 16.7545 20.2971 -23.5935 -25.0169 -23.5935 36.7071 GPRESSAVG: 3554800 -65.8406 15.9249 -24.4797 15.4887 19.7406 -25.3046 -24.8707 -22.0411 39.025 TIMING: 3554800 CPU: 10323.1, 0.00289941/step Wall: 10323.1, 0.00289941/step, 1.16395 hours remaining, 206.332031 MB of memory in use. ENERGY: 3554800 752.5354 2115.5991 1986.7634 123.7741 -206114.7894 17621.8960 0.0000 0.0000 34163.5667 -149350.6547 298.3589 -183514.2214 -149252.4522 299.4930 -142.9638 -114.0680 557678.9529 -2.4433 -2.3583 PRESSURE: 3555000 -94.2009 37.8713 49.7518 37.8715 -128.796 -200.64 49.7526 -200.64 13.7877 GPRESSURE: 3555000 -71.9946 -38.5878 172.594 14.8383 -92.9972 -211.556 99.8337 -155.199 55.7612 PRESSAVG: 3555000 -41.3672 13.7549 18.07 13.7549 67.4562 2.75944 18.0701 2.7594 -23.4941 GPRESSAVG: 3555000 -39.9505 14.2962 16.5247 12.5747 67.4033 4.52755 18.2426 1.58945 -25.3912 TIMING: 3555000 CPU: 10323.7, 0.00291806/step Wall: 10323.7, 0.00291806/step, 1.17128 hours remaining, 206.332031 MB of memory in use. ENERGY: 3555000 729.2505 2076.7667 1968.9350 136.5525 -206273.8477 17727.1367 0.0000 0.0000 34347.1116 -149288.0947 299.9619 -183635.2063 -149191.0071 299.3740 -69.7365 -36.4102 557815.0086 0.8650 0.6872 PRESSURE: 3555200 -269.958 17.9601 -10.6515 17.9601 138.957 -63.1717 -10.6508 -63.1718 -196.223 GPRESSURE: 3555200 -282.566 142.593 64.5579 -51.0165 179.65 -137.399 -25.6992 -76.5189 -134.212 PRESSAVG: 3555200 -48.4162 15.4156 41.1044 15.4157 77.0986 65.9239 41.1044 65.9239 -13.293 GPRESSAVG: 3555200 -49.3428 15.061 41.2337 16.5316 77.7794 65.3212 42.5322 66.9025 -13.2224 TIMING: 3555200 CPU: 10324.3, 0.00292236/step Wall: 10324.3, 0.00292235/step, 1.17284 hours remaining, 206.402344 MB of memory in use. ENERGY: 3555200 800.5724 2084.7456 1933.5325 115.0596 -205871.8757 17533.2291 0.0000 0.0000 34220.0066 -149184.7299 298.8518 -183404.7365 -149100.1333 298.7186 -109.0744 -79.0428 556691.1451 5.1298 5.0714 PRESSURE: 3555400 17.027 -106.148 71.7015 -106.149 -91.9931 175.022 71.7012 175.022 46.6924 GPRESSURE: 3555400 38.0071 -193.001 4.45959 31.8651 -66.201 186.345 68.9492 148.288 93.9758 PRESSAVG: 3555400 -7.92265 -7.4191 -4.85458 -7.41913 -24.8623 9.02066 -4.85467 9.02073 36.454 GPRESSAVG: 3555400 -8.07106 -7.44088 -5.2702 -5.23805 -24.6876 7.0659 -6.4074 10.8758 36.3784 TIMING: 3555400 CPU: 10324.9, 0.00292181/step Wall: 10324.9, 0.00292181/step, 1.17246 hours remaining, 206.402344 MB of memory in use. ENERGY: 3555400 777.6842 2116.3597 1933.8470 119.1384 -206286.6753 17762.9352 0.0000 0.0000 34574.7511 -149001.9596 301.9499 -183576.7107 -148903.0528 300.2024 -9.4246 21.9273 557196.2126 1.2230 1.2066 PRESSURE: 3555600 -91.0212 -92.3943 -64.5165 -92.395 -347.216 62.3072 -64.5163 62.3086 -221.251 GPRESSURE: 3555600 -142.197 -116.35 -44.9747 -91.78 -250.299 27.0156 -68.4915 128.016 -164.985 PRESSAVG: 3555600 -1.87371 2.36505 19.7554 2.36506 -22.0778 26.7406 19.7553 26.7405 -18.0616 GPRESSAVG: 3555600 -2.11807 3.76606 18.7731 -0.433272 -21.707 27.0141 20.2957 25.2277 -18.3872 TIMING: 3555600 CPU: 10325.5, 0.00293244/step Wall: 10325.5, 0.00293244/step, 1.17656 hours remaining, 206.402344 MB of memory in use. ENERGY: 3555600 771.8100 2128.1576 1950.5108 118.3752 -206041.7390 17520.3946 0.0000 0.0000 34546.8371 -149005.6538 301.7061 -183552.4908 -148908.8943 299.7796 -219.8292 -185.8273 557967.2083 -14.0043 -14.0708 PRESSURE: 3555800 25.666 -92.1892 -17.7077 -92.1895 -6.94758 -60.9593 -17.7073 -60.9615 192.243 GPRESSURE: 3555800 71.657 -84.6085 -87.6913 -11.9331 5.0534 1.4276 0.516979 -106.589 243.541 PRESSAVG: 3555800 17.7665 -2.32602 -57.542 -2.32594 -17.6595 12.7825 -57.542 12.7825 42.8356 GPRESSAVG: 3555800 17.6046 -2.74229 -59.1203 -1.15821 -18.381 13.7832 -55.9354 11.7216 43.797 TIMING: 3555800 CPU: 10326, 0.00294268/step Wall: 10326, 0.00294268/step, 1.1805 hours remaining, 206.402344 MB of memory in use. ENERGY: 3555800 763.0386 2163.6332 1959.3365 115.9591 -206300.3404 17912.8794 0.0000 0.0000 34360.4983 -149024.9953 300.0788 -183385.4937 -148926.7987 300.4336 70.3205 106.7506 556315.5492 14.3142 14.3402 PRESSURE: 3556000 -298 16.8223 -114.579 16.8217 12.5107 119.45 -114.579 119.452 153.746 GPRESSURE: 3556000 -219.818 1.66535 -113.013 32.8795 56.0846 132.563 -117.187 125.712 123.892 PRESSAVG: 3556000 2.09204 -42.0503 -26.7465 -42.0502 19.3879 6.15992 -26.7465 6.15989 34.6109 GPRESSAVG: 3556000 3.29258 -43.2171 -24.5262 -42.0593 18.0718 5.61012 -28.2785 5.37214 34.3589 TIMING: 3556000 CPU: 10326.6, 0.00289787/step Wall: 10326.6, 0.00289787/step, 1.16237 hours remaining, 206.402344 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: 3556000 775.0340 2130.2965 1981.5198 110.0864 -206054.1969 17713.1300 0.0000 0.0000 34414.9799 -148929.1503 300.5546 -183344.1302 -148828.4155 300.2379 -43.9145 -13.2804 558222.4763 18.6970 18.5744 PRESSURE: 3556200 -56.1374 -91.468 -63.7667 -91.4688 153.906 64.2333 -63.7668 64.2341 58.6098 GPRESSURE: 3556200 -78.0264 -68.3616 -165.373 -80.3521 232.448 82.6197 33.0476 138.32 97.1485 PRESSAVG: 3556200 -90.6497 2.10655 -23.5122 2.10653 -16.564 -14.8005 -23.5123 -14.8003 96.6933 GPRESSAVG: 3556200 -89.3606 2.87806 -25.5381 2.88477 -16.2862 -14.3445 -23.5518 -13.5313 95.2203 TIMING: 3556200 CPU: 10327.2, 0.00295133/step Wall: 10327.2, 0.00295133/step, 1.18365 hours remaining, 206.402344 MB of memory in use. ENERGY: 3556200 740.6598 2150.8698 1961.2914 106.1116 -206174.3684 17872.2462 0.0000 0.0000 34387.5760 -148955.6135 300.3153 -183343.1895 -148862.0242 299.9197 52.1260 83.8567 558249.7780 -3.5068 -3.4755 LDB: ============= START OF LOAD BALANCING ============== 10330.7 LDB: ============== END OF LOAD BALANCING =============== 10330.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10330.7 LDB: ============= START OF LOAD BALANCING ============== 10331 LDB: Largest compute 4820 load 0.034125 is 29.0% of average load 0.117760 LDB: Average compute 0.001726 is 1.5% of average load 0.117760 LDB: TIME 10331 LOAD: AVG 0.11776 MAX 0.178523 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 10331 LOAD: AVG 0.11776 MAX 0.178523 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 10331 LOAD: AVG 0.11776 MAX 0.178523 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10331 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10331 PRESSURE: 3556400 77.3801 -14.9904 -50.7825 -14.9902 125.084 52.4578 -50.7842 52.4574 172.996 GPRESSURE: 3556400 103.977 -54.512 -45.7131 14.212 156.999 96.8258 -126.102 31.4347 201.612 PRESSAVG: 3556400 -84.2782 4.61694 5.87508 4.61684 -13.7198 -54.4011 5.87499 -54.401 99.0457 GPRESSAVG: 3556400 -86.1754 5.30961 8.18486 4.71772 -13.0973 -54.8075 5.5283 -55.2654 100.857 TIMING: 3556400 CPU: 10327.8, 0.00297738/step Wall: 10327.8, 0.00297738/step, 1.19393 hours remaining, 206.066406 MB of memory in use. ENERGY: 3556400 751.8799 2101.5503 1972.2558 115.2536 -206249.5474 18053.2447 0.0000 0.0000 34409.9674 -148845.3957 300.5108 -183255.3631 -148747.6000 299.5398 125.1532 154.1961 558330.6423 0.3492 0.5281 PRESSURE: 3556600 103.201 41.9027 -24.8845 41.904 -287.43 153.134 -24.8832 153.133 89.9891 GPRESSURE: 3556600 98.2915 127.498 -23.6479 -95.74 -213.233 153.867 48.3961 58.5871 124.251 PRESSAVG: 3556600 12.936 -67.4946 -61.8549 -67.4945 -15.7488 -27.0037 -61.8549 -27.0037 45.3192 GPRESSAVG: 3556600 14.1466 -67.826 -62.21 -69.6633 -14.6316 -26.8377 -61.4725 -28.116 43.4815 TIMING: 3556600 CPU: 10328.4, 0.00291996/step Wall: 10328.4, 0.00291996/step, 1.17074 hours remaining, 206.066406 MB of memory in use. ENERGY: 3556600 753.4858 2121.7336 1955.3504 121.1298 -205909.8869 17636.0850 0.0000 0.0000 34492.7155 -148829.3867 301.2335 -183322.1021 -148726.9844 300.1145 -31.4132 3.1032 557445.2168 14.1688 14.3322 PRESSURE: 3556800 176.8 25.0794 -68.1257 25.0797 348.801 -95.4332 -68.1265 -95.4351 132.441 GPRESSURE: 3556800 279.168 3.73341 -101.054 -29.6547 347.833 -24.9867 32.9499 -88.9217 127.299 PRESSAVG: 3556800 5.49713 -30.5107 -69.1504 -30.5107 6.89319 17.5289 -69.1504 17.5288 -10.7763 GPRESSAVG: 3556800 5.29526 -32.0792 -69.413 -29.0309 6.09226 17.6711 -69.3754 16.9906 -9.86842 TIMING: 3556800 CPU: 10329, 0.00292921/step Wall: 10329, 0.00292921/step, 1.17429 hours remaining, 206.066406 MB of memory in use. ENERGY: 3556800 741.2195 2096.2862 1957.7095 109.5743 -206222.8483 18188.0731 0.0000 0.0000 34454.5686 -148675.4169 300.9003 -183129.9856 -148574.2216 300.9893 219.3473 251.4335 557597.5790 0.5380 0.5064 PRESSURE: 3557000 171.26 34.0719 26.6112 34.0721 -12.927 -67.7232 26.613 -67.7216 28.2804 GPRESSURE: 3557000 166.007 -22.1615 25.2028 20.6803 18.5531 -24.1655 60.0103 -3.97142 103.459 PRESSAVG: 3557000 -58.3919 50.2049 -56.1492 50.2049 52.2641 -15.4405 -56.1493 -15.4405 -5.94373 GPRESSAVG: 3557000 -58.5015 50.578 -58.4179 51.3659 51.3122 -15.827 -54.6805 -13.9243 -4.63595 TIMING: 3557000 CPU: 10329.6, 0.00294577/step Wall: 10329.6, 0.00294577/step, 1.18076 hours remaining, 206.277344 MB of memory in use. ENERGY: 3557000 742.3951 2098.5826 1979.4523 118.9557 -205828.5854 17732.7151 0.0000 0.0000 34478.4609 -148678.0238 301.1090 -183156.4846 -148586.5016 300.5033 62.2046 96.0066 558123.0580 -4.0239 -3.9417 PRESSURE: 3557200 -187.318 -15.7762 -142.419 -15.7742 -101.732 51.0068 -142.419 51.0061 189.06 GPRESSURE: 3557200 -191.211 -6.34018 -144.698 -22.1517 19.4336 -25.3903 -176.137 23.0714 176.708 PRESSAVG: 3557200 -51.1345 18.7629 -29.3629 18.7629 47.0732 3.53067 -29.3627 3.53066 7.76827 GPRESSAVG: 3557200 -50.8671 20.84 -29.17 15.6834 48.4582 5.10694 -29.6775 1.16038 5.95814 TIMING: 3557200 CPU: 10330.2, 0.00292451/step Wall: 10330.2, 0.00292451/step, 1.17208 hours remaining, 206.480469 MB of memory in use. ENERGY: 3557200 793.5186 2078.9576 1968.4281 108.5004 -206028.9450 17940.0079 0.0000 0.0000 34416.1832 -148723.3491 300.5651 -183139.5324 -148633.9716 300.6785 -33.3303 1.6436 559859.3062 1.2357 1.1831 PRESSURE: 3557400 -58.3878 -41.3997 -151.042 -41.3998 -145.999 195.929 -151.042 195.93 124.029 GPRESSURE: 3557400 -74.1234 67.436 -146.512 -114.407 -104.927 213.606 -165.228 188.02 196.911 PRESSAVG: 3557400 -56.4553 -38.6993 -13.2682 -38.6993 33.0892 -11.9659 -13.2681 -11.9659 33.0006 GPRESSAVG: 3557400 -58.0046 -38.6302 -11.2243 -36.7666 33.837 -14.4298 -13.5777 -8.35318 33.8897 TIMING: 3557400 CPU: 10330.8, 0.00295827/step Wall: 10330.8, 0.00295827/step, 1.18544 hours remaining, 206.480469 MB of memory in use. ENERGY: 3557400 752.8380 2097.5549 1971.7348 113.2720 -206085.1036 17887.9046 0.0000 0.0000 34517.0574 -148744.7420 301.4460 -183261.7993 -148647.3771 300.6899 -26.7859 5.9536 559745.3927 3.2115 3.2407 PRESSURE: 3557600 -96.0027 1.39488 219.713 1.39469 -206.611 115.694 219.715 115.694 35.2188 GPRESSURE: 3557600 -85.2935 13.2159 192.415 1.26421 -195.488 68.9648 180.009 122.462 99.555 PRESSAVG: 3557600 74.8765 3.22286 15.7942 3.2228 -33.454 -19.0707 15.7942 -19.0707 14.7211 GPRESSAVG: 3557600 75.4624 3.76117 17.8921 3.59421 -34.5853 -20.0011 14.4789 -19.8694 15.2511 TIMING: 3557600 CPU: 10331.3, 0.00293737/step Wall: 10331.3, 0.00293737/step, 1.1769 hours remaining, 206.480469 MB of memory in use. ENERGY: 3557600 732.2073 2139.0476 1963.2378 111.8369 -205964.0711 17772.7909 0.0000 0.0000 34431.7989 -148813.1517 300.7015 -183244.9506 -148720.7532 300.4592 -89.1317 -60.4089 558489.4762 18.7146 18.7094 PRESSURE: 3557800 303.448 -60.11 85.0765 -60.1099 -182.154 -57.9809 85.0765 -57.9831 -52.9679 GPRESSURE: 3557800 279.205 -117.127 123.302 -62.5042 -63.5038 89.3991 72.2329 -107.496 -46.7664 PRESSAVG: 3557800 38.0123 -7.74156 12.8342 -7.7415 -122.942 28.7362 12.8342 28.7361 80.2964 GPRESSAVG: 3557800 38.615 -10.7796 10.777 -7.83546 -122.81 31.1435 12.9808 27.2175 80.113 TIMING: 3557800 CPU: 10331.9, 0.0029304/step Wall: 10331.9, 0.0029304/step, 1.17395 hours remaining, 206.480469 MB of memory in use. ENERGY: 3557800 809.0227 2085.6852 1964.1763 126.1918 -206247.0752 17972.2168 0.0000 0.0000 34365.4291 -148924.3534 300.1218 -183289.7825 -148824.8309 300.7732 22.7753 56.3116 558349.4226 -1.5444 -1.3608 PRESSURE: 3558000 1.0879 -69.5229 -39.8394 -69.5228 -105.383 -25.2815 -39.8393 -25.2818 -230.677 GPRESSURE: 3558000 67.4273 -98.5886 -56.6824 -15.2794 -41.4766 -21.4987 -35.556 -38.1805 -261.737 PRESSAVG: 3558000 -7.95988 5.47926 -0.48104 5.4793 -37.8289 15.2138 -0.481134 15.2139 40.4155 GPRESSAVG: 3558000 -7.55624 7.88228 -1.54152 5.37001 -38.3434 13.7721 -1.54587 15.2284 40.1159 TIMING: 3558000 CPU: 10332.5, 0.00292642/step Wall: 10332.5, 0.00292642/step, 1.17219 hours remaining, 206.480469 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: 3558000 775.8326 2106.6825 1959.3078 117.3152 -206171.1144 17976.2235 0.0000 0.0000 34496.5415 -148739.2115 301.2669 -183235.7530 -148646.6962 300.8584 -111.6576 -78.5954 560395.6450 -1.7911 -1.9279 PRESSURE: 3558200 -247.509 -28.1003 -58.909 -28.1011 257.63 61.5101 -58.9097 61.5101 120.581 GPRESSURE: 3558200 -231.671 -95.0636 -31.1622 29.9944 271.031 16.3359 -100.89 68.4282 176.435 PRESSAVG: 3558200 -17.9267 34.7653 -51.4505 34.7652 72.2662 -40.0387 -51.4504 -40.0388 -36.4591 GPRESSAVG: 3558200 -19.4365 33.8368 -47.8971 33.8533 72.5229 -39.4392 -50.2922 -39.6078 -35.6497 TIMING: 3558200 CPU: 10333.1, 0.00291348/step Wall: 10333.1, 0.00291348/step, 1.16685 hours remaining, 206.480469 MB of memory in use. ENERGY: 3558200 744.0525 2043.3994 1975.9985 127.5886 -205977.7672 17898.6525 0.0000 0.0000 34423.6183 -148764.4575 300.6300 -183188.0758 -148659.3943 300.3557 43.5676 71.9317 558874.1368 5.9602 5.8122 PRESSURE: 3558400 -38.1818 102.495 14.8533 102.494 -85.1843 -63.8774 14.853 -63.876 -191.466 GPRESSURE: 3558400 -25.588 150.1 -117.404 108.127 -70.9264 -9.83756 82.1832 -190.299 -122.107 PRESSAVG: 3558400 -55.5405 -11.8733 5.2727 -11.8733 -14.2694 -26.0351 5.27259 -26.0352 74.1965 GPRESSAVG: 3558400 -53.9689 -12.4031 3.42428 -9.11787 -14.9155 -24.4378 6.03553 -27.92 73.2435 TIMING: 3558400 CPU: 10333.7, 0.00291883/step Wall: 10333.7, 0.00291883/step, 1.16883 hours remaining, 206.480469 MB of memory in use. ENERGY: 3558400 723.8526 2108.0122 1965.4091 102.0927 -205805.1695 17728.4504 0.0000 0.0000 34382.4672 -148794.8854 300.2706 -183177.3526 -148694.7458 300.6764 -104.9440 -72.8738 559329.7884 1.4622 1.4530 PRESSURE: 3558600 -137.398 215.608 45.8553 215.608 -25.1495 166.551 45.8563 166.549 -81.1011 GPRESSURE: 3558600 -149.927 236.312 89.8085 222.463 6.05211 152.583 39.3573 127.991 -18.2674 PRESSAVG: 3558600 -35.4793 44.1167 19.0271 44.1167 1.30681 3.94767 19.0272 3.9477 -2.58699 GPRESSAVG: 3558600 -35.9736 45.4651 21.6225 40.8294 2.95428 2.98645 18.3052 5.80533 -3.19817 TIMING: 3558600 CPU: 10334.3, 0.00292893/step Wall: 10334.3, 0.00292893/step, 1.17271 hours remaining, 206.480469 MB of memory in use. ENERGY: 3558600 742.6381 2116.8072 1943.3266 119.6642 -205779.1322 17578.0980 0.0000 0.0000 34615.4915 -148663.1066 302.3057 -183278.5981 -148565.8310 300.4578 -81.2162 -54.0475 557503.8787 -12.2532 -12.0725 PRESSURE: 3558800 -253.194 16.909 -61.2858 16.9092 -59.662 -50.4855 -61.2863 -50.4853 -76.453 GPRESSURE: 3558800 -166.857 44.2696 6.61514 19.8581 -67.6167 -40.147 -91.0915 -3.63718 -44.0151 PRESSAVG: 3558800 -22.8974 18.5478 37.3801 18.5478 -5.77065 12.1383 37.3802 12.1383 19.1884 GPRESSAVG: 3558800 -22.636 17.4331 36.8241 20.9634 -6.50822 10.2066 36.66 14.0136 19.7773 TIMING: 3558800 CPU: 10334.8, 0.00290469/step Wall: 10334.8, 0.00290469/step, 1.16284 hours remaining, 206.480469 MB of memory in use. ENERGY: 3558800 794.4171 2020.6704 1983.9737 104.1942 -205746.6048 17712.2551 0.0000 0.0000 34447.3850 -148683.7093 300.8376 -183131.0943 -148586.1025 300.3987 -129.7697 -92.8295 558971.6611 -3.1599 -3.1223 PRESSURE: 3559000 -88.7734 -28.4774 22.573 -28.4791 81.6959 211.806 22.5719 211.806 176.742 GPRESSURE: 3559000 -1.48611 -136.267 62.9745 5.65946 117.731 182.2 -94.8615 193.858 147.108 PRESSAVG: 3559000 -36.8414 -9.63019 6.08641 -9.63016 58.6333 -14.4609 6.08639 -14.4608 -26.798 GPRESSAVG: 3559000 -37.0986 -10.8977 3.85046 -9.68497 58.3245 -12.8942 6.74734 -16.8138 -26.7127 TIMING: 3559000 CPU: 10335.4, 0.00292188/step Wall: 10335.4, 0.00292188/step, 1.16957 hours remaining, 206.480469 MB of memory in use. ENERGY: 3559000 715.0839 2072.1417 1959.9591 114.8426 -205831.7495 17899.7491 0.0000 0.0000 34455.6060 -148614.3671 300.9094 -183069.9730 -148517.3232 300.7725 56.5549 87.7842 558967.2061 -1.6687 -1.8289 PRESSURE: 3559200 387.114 -70.1178 -117.632 -70.118 208.529 -44.3052 -117.632 -44.3049 -112.305 GPRESSURE: 3559200 383.543 -18.0471 -123.076 -62.6193 263.814 17.6349 -40.5055 -36.6799 -54.207 PRESSAVG: 3559200 23.3172 -41.5564 17.6003 -41.5564 55.9233 -46.0793 17.6003 -46.0792 -99.7086 GPRESSAVG: 3559200 24.2256 -39.0244 19.163 -42.8019 54.9857 -46.2163 17.293 -45.9949 -99.1918 TIMING: 3559200 CPU: 10336, 0.00296118/step Wall: 10336, 0.00296118/step, 1.18513 hours remaining, 206.480469 MB of memory in use. ENERGY: 3559200 766.0810 2081.3618 1975.6424 106.8257 -206387.4918 18146.7977 0.0000 0.0000 34533.1018 -148777.6814 301.5862 -183310.7832 -148675.6418 300.4062 161.1127 197.7166 557338.5010 -6.8227 -6.6602 PRESSURE: 3559400 63.3251 33.8164 58.5086 33.8155 305.931 109.941 58.5079 109.94 -16.4076 GPRESSURE: 3559400 58.0221 31.0158 101.105 15.0755 364.343 151.559 126.932 54.0564 16.8243 PRESSAVG: 3559400 -21.3821 -42.5295 53.9683 -42.5295 43.7634 -14.3282 53.9682 -14.3282 6.20712 GPRESSAVG: 3559400 -22.4249 -42.4253 50.8631 -42.1904 44.3352 -14.5934 56.4168 -12.9514 5.78735 TIMING: 3559400 CPU: 10336.6, 0.00295488/step Wall: 10336.6, 0.00295488/step, 1.18244 hours remaining, 206.480469 MB of memory in use. ENERGY: 3559400 741.4046 2113.4831 1968.0329 106.2017 -206288.2381 18010.4246 0.0000 0.0000 34566.7733 -148781.9178 301.8802 -183348.6911 -148687.6303 300.8990 117.6164 146.3963 559707.8983 9.5295 9.2325 PRESSURE: 3559600 -250.44 -12.5239 119.033 -12.5235 -84.844 -75.4346 119.034 -75.4355 -42.0702 GPRESSURE: 3559600 -167.509 -2.47409 99.4007 -80.8524 -44.4775 -14.6957 96.2437 -102.308 -68.6321 PRESSAVG: 3559600 -76.3796 7.76685 49.7796 7.76691 49.432 -18.7315 49.7796 -18.7316 -8.2708 GPRESSAVG: 3559600 -77.1298 8.78381 51.8543 10.2587 49.9107 -18.649 47.5833 -19.1586 -8.65701 TIMING: 3559600 CPU: 10337.2, 0.00294298/step Wall: 10337.2, 0.00294298/step, 1.17752 hours remaining, 206.480469 MB of memory in use. ENERGY: 3559600 787.4582 2043.7622 1957.2226 107.1284 -205966.4229 17795.2988 0.0000 0.0000 34240.2834 -149035.2695 299.0289 -183275.5528 -148933.3865 300.4723 -125.7847 -93.5396 559797.8505 -11.7395 -11.9587 PRESSURE: 3559800 191.387 -182.809 -184.23 -182.809 360.312 69.8353 -184.23 69.8347 63.9766 GPRESSURE: 3559800 220.931 -173.728 -240.532 -148.443 379.313 184.147 -55.6213 28.2876 118.149 PRESSAVG: 3559800 34.6552 -54.1588 -34.7336 -54.1587 -16.7371 8.82104 -34.7336 8.82094 -15.857 GPRESSAVG: 3559800 35.0615 -55.5387 -34.1765 -55.4384 -17.1457 10.0611 -34.0753 6.59956 -15.1361 TIMING: 3559800 CPU: 10337.8, 0.00296202/step Wall: 10337.8, 0.00296202/step, 1.18497 hours remaining, 206.480469 MB of memory in use. ENERGY: 3559800 744.0972 2040.1100 1963.9684 102.3010 -206448.5747 18171.6992 0.0000 0.0000 34342.9101 -149083.4889 299.9252 -183426.3990 -148988.8468 299.2125 205.2255 239.4643 557210.8335 0.6870 0.9266 PRESSURE: 3560000 -5.86379 35.5232 111.58 35.5238 -11.2885 166.153 111.581 166.152 230.588 GPRESSURE: 3560000 35.0665 -25.2153 9.86733 74.6078 37.3327 143.655 70.6349 205.506 254.453 PRESSAVG: 3560000 17.236 27.3138 33.14 27.314 4.63965 32.3851 33.14 32.3851 -61.411 GPRESSAVG: 3560000 18.5915 28.435 33.8455 27.3586 3.94078 30.9972 33.766 35.7062 -62.4509 TIMING: 3560000 CPU: 10338.4, 0.00294408/step Wall: 10338.4, 0.00294408/step, 1.17763 hours remaining, 206.480469 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: 3560000 732.1483 2031.7419 1938.0573 112.8521 -205892.5311 17711.5025 0.0000 0.0000 34149.6059 -149216.6231 298.2370 -183366.2290 -149122.0953 299.1753 71.1453 108.9509 558912.0256 -13.1785 -13.3062 PRESSURE: 3560200 160.112 -54.7408 40.4184 -54.741 16.6129 13.5332 40.418 13.5328 -5.90891 GPRESSURE: 3560200 161.273 -96.7303 32.9885 -121.212 46.0443 56.7593 91.3317 -1.24829 65.365 PRESSAVG: 3560200 -29.0632 33.5453 53.305 33.5453 -28.9002 53.7273 53.305 53.7272 40.8402 GPRESSAVG: 3560200 -30.2301 34.3304 53.7396 30.8406 -26.6746 53.3271 52.313 51.9542 40.2064 TIMING: 3560200 CPU: 10339, 0.00292639/step Wall: 10339, 0.00292639/step, 1.17039 hours remaining, 206.480469 MB of memory in use. ENERGY: 3560200 732.3102 2054.2252 1928.1876 96.6757 -206527.8300 18032.4219 0.0000 0.0000 34304.7361 -149379.2732 299.5918 -183684.0094 -149291.3657 298.6279 56.9385 90.8939 557918.5306 -5.7077 -5.5661 LDB: ============= START OF LOAD BALANCING ============== 10342.4 LDB: ============== END OF LOAD BALANCING =============== 10342.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10342.4 LDB: ============= START OF LOAD BALANCING ============== 10342.7 LDB: Largest compute 4820 load 0.032446 is 27.5% of average load 0.117794 LDB: Average compute 0.001721 is 1.5% of average load 0.117794 LDB: TIME 10342.7 LOAD: AVG 0.117794 MAX 0.177713 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.301 MB LDB: TIME 10342.7 LOAD: AVG 0.117794 MAX 0.177713 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 10342.7 LOAD: AVG 0.117794 MAX 0.177713 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: ============== END OF LOAD BALANCING =============== 10342.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10342.7 PRESSURE: 3560400 -70.3845 153.362 96.3403 153.362 -111.616 125.522 96.3404 125.523 -244.37 GPRESSURE: 3560400 -66.2376 138.233 127.338 156.884 -72.6442 124.086 64.0688 12.584 -196.084 PRESSAVG: 3560400 1.58663 -31.2936 -36.0786 -31.2936 -8.95162 -71.0034 -36.0785 -71.0033 -2.87433 GPRESSAVG: 3560400 1.39995 -33.6546 -35.6656 -29.0332 -9.33516 -70.1475 -35.9053 -72.337 -1.93307 TIMING: 3560400 CPU: 10339.6, 0.00297122/step Wall: 10339.6, 0.00297122/step, 1.18816 hours remaining, 206.902344 MB of memory in use. ENERGY: 3560400 728.7254 2040.4072 1936.4884 105.2201 -206168.1578 17696.8839 0.0000 0.0000 34395.0685 -149265.3643 300.3807 -183660.4327 -149167.4975 299.4506 -142.1233 -111.6554 557917.1137 -3.4131 -3.2894 PRESSURE: 3560600 -38.273 113.802 86.6815 113.801 -178.013 31.6827 86.6808 31.6819 114.849 GPRESSURE: 3560600 37.3066 145.88 69.19 19.7985 -214.587 27.0332 84.2967 0.986132 166.255 PRESSAVG: 3560600 13.5177 -1.59054 -32.0749 -1.59052 20.3217 31.3555 -32.075 31.3554 -33.1947 GPRESSAVG: 3560600 14.8276 0.763085 -30.775 -4.16613 19.601 32.5027 -31.3944 31.5788 -33.5959 TIMING: 3560600 CPU: 10340.1, 0.00291801/step Wall: 10340.1, 0.00291801/step, 1.16672 hours remaining, 207.144531 MB of memory in use. ENERGY: 3560600 757.2576 2066.6292 1953.8139 114.4484 -206203.4482 17823.3466 0.0000 0.0000 34157.1349 -149330.8177 298.3028 -183487.9526 -149236.0922 299.2156 -33.8125 -3.6752 557186.1445 0.2149 0.2776 PRESSURE: 3560800 -6.15353 -29.5167 50.2011 -29.5155 66.4198 -46.7087 50.2011 -46.7064 137.666 GPRESSURE: 3560800 -18.9996 7.74989 64.7647 -118.965 95.5104 -30.0271 54.0338 -15.2805 211.081 PRESSAVG: 3560800 51.5837 -42.7841 -0.952342 -42.7841 1.77457 -28.8529 -0.952274 -28.8528 -19.9692 GPRESSAVG: 3560800 50.9039 -45.3332 -2.25321 -40.8303 2.61024 -30.421 -0.584604 -25.8362 -19.4217 TIMING: 3560800 CPU: 10340.7, 0.00291552/step Wall: 10340.7, 0.00291552/step, 1.16556 hours remaining, 207.144531 MB of memory in use. ENERGY: 3560800 762.2845 2054.4063 1937.3568 117.8967 -206363.8811 17979.1937 0.0000 0.0000 34245.0013 -149267.7419 299.0701 -183512.7432 -149175.5326 299.5642 65.9775 95.8639 556634.6234 11.1297 11.3641 PRESSURE: 3561000 -152.014 -39.894 142.471 -39.8927 -29.5843 -24.1893 142.47 -24.1882 -131.949 GPRESSURE: 3561000 -104.87 18.1139 223.371 -44.1227 -65.6491 14.5257 210.432 -26.5099 -63.54 PRESSAVG: 3561000 -57.2001 35.8512 11.7009 35.8512 51.3077 -41.2076 11.7009 -41.2077 13.8166 GPRESSAVG: 3561000 -56.0135 37.7378 12.8224 32.5786 49.4536 -39.5466 11.9134 -41.5307 14.4031 TIMING: 3561000 CPU: 10341.3, 0.00289626/step Wall: 10341.3, 0.00289626/step, 1.1577 hours remaining, 207.144531 MB of memory in use. ENERGY: 3561000 765.1806 2050.7989 1971.6374 103.3656 -205983.2817 17713.1524 0.0000 0.0000 34121.9521 -149257.1947 297.9955 -183379.1468 -149148.8990 299.7933 -104.5159 -78.0196 558178.3335 2.6414 2.6144 PRESSURE: 3561200 35.7661 85.8968 -176.565 85.8959 274.447 84.1784 -176.565 84.1792 -146.366 GPRESSURE: 3561200 106.492 83.0884 -209.263 68.3471 282.258 -28.3 -129.886 50.9635 -134.195 PRESSAVG: 3561200 -10.2955 -41.8796 22.2004 -41.8795 38.5368 -27.6737 22.2004 -27.6736 22.7231 GPRESSAVG: 3561200 -9.66025 -44.2764 21.0626 -40.0639 38.5349 -30.2555 21.8781 -28.8325 21.6094 TIMING: 3561200 CPU: 10341.9, 0.00290165/step Wall: 10341.9, 0.00290165/step, 1.15969 hours remaining, 207.144531 MB of memory in use. ENERGY: 3561200 741.6563 2071.9720 1929.8846 110.4838 -206221.7534 18101.3794 0.0000 0.0000 34121.8703 -149144.5069 297.9948 -183266.3772 -149043.6856 298.9746 54.6158 84.8519 558002.2684 16.9881 16.8280 PRESSURE: 3561400 -24.3059 -98.8352 1.86862 -98.8369 118.472 97.0657 1.86738 97.0661 302.469 GPRESSURE: 3561400 1.95515 -68.2807 11.8504 -83.1759 176.593 27.5222 -106.352 147.154 304.028 PRESSAVG: 3561400 -119.277 -55.8704 -34.3666 -55.8704 100.546 56.032 -34.3666 56.0321 -3.95231 GPRESSAVG: 3561400 -119.747 -57.5278 -34.7213 -53.091 101.044 58.1615 -36.0075 56.9599 -3.92532 TIMING: 3561400 CPU: 10342.5, 0.00291228/step Wall: 10342.5, 0.00291228/step, 1.16378 hours remaining, 207.144531 MB of memory in use. ENERGY: 3561400 769.1539 2097.7732 1928.8055 112.6844 -206558.1763 18118.8918 0.0000 0.0000 34397.8808 -149132.9867 300.4052 -183530.8674 -149040.1466 298.9540 132.2117 160.8585 557694.9987 -7.5610 -7.5428 PRESSURE: 3561600 340.201 10.6749 -114.59 10.6758 200.408 16.7837 -114.59 16.7836 -6.05459 GPRESSURE: 3561600 374.764 30.6928 -135.833 -36.6134 284.475 -33.015 -100.284 -26.638 -9.66492 PRESSAVG: 3561600 -8.54661 17.4524 -46.3042 17.4524 12.6648 -30.0281 -46.3042 -30.0281 -42.7444 GPRESSAVG: 3561600 -9.02203 21.2492 -47.7001 17.7462 13.3897 -30.3707 -44.6115 -30.7217 -42.7463 TIMING: 3561600 CPU: 10343, 0.00289864/step Wall: 10343, 0.00289864/step, 1.15817 hours remaining, 207.214844 MB of memory in use. ENERGY: 3561600 724.3992 2079.5553 1959.3304 114.4045 -206315.5464 17956.0484 0.0000 0.0000 34344.9328 -149136.8758 299.9428 -183481.8086 -149044.8149 299.1312 178.1851 216.5245 557381.7274 -12.8754 -12.7929 PRESSURE: 3561800 128.756 -116.668 -106.562 -116.667 260.031 -94.2417 -106.562 -94.2403 23.1897 GPRESSURE: 3561800 145.326 -144.005 -78.8827 -98.4515 299.513 -69.7512 -127.496 -116.824 68.993 PRESSAVG: 3561800 37.9862 -40.8323 -47.7222 -40.8324 -3.52252 12.2216 -47.7222 12.2214 -17.5962 GPRESSAVG: 3561800 37.6279 -42.0351 -47.4789 -42.0869 -4.24826 13.2858 -46.037 11.1427 -16.2785 TIMING: 3561800 CPU: 10343.6, 0.00291922/step Wall: 10343.6, 0.00291922/step, 1.16623 hours remaining, 207.214844 MB of memory in use. ENERGY: 3561800 752.2572 2081.3317 1950.8842 103.9772 -206206.2406 17856.9920 0.0000 0.0000 34350.5246 -149110.2737 299.9917 -183460.7983 -149016.0925 299.7783 137.3254 171.2775 556560.1620 5.6225 5.7004 PRESSURE: 3562000 87.0588 85.3915 -20.6646 85.3911 54.2998 166.358 -20.6637 166.359 -41.9906 GPRESSURE: 3562000 105.868 37.7396 -107.818 73.9829 49.1685 130.706 76.8605 186.948 54.5462 PRESSAVG: 3562000 -2.74791 -23.0087 -5.66754 -23.0086 -20.7722 77.7343 -5.66757 77.7345 46.1755 GPRESSAVG: 3562000 -3.22639 -21.2823 -3.91475 -25.2588 -19.4025 75.9138 -8.0503 78.1966 45.9746 TIMING: 3562000 CPU: 10344.2, 0.00291311/step Wall: 10344.2, 0.00291311/step, 1.16363 hours remaining, 207.214844 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: 3562000 722.6517 2030.6089 1949.6858 116.6218 -205834.3235 17837.0159 0.0000 0.0000 34111.3050 -149066.4344 297.9025 -183177.7394 -148969.4612 299.1166 33.1227 69.8609 558807.8825 7.5518 7.7819 PRESSURE: 3562200 24.2178 4.12714 0.986346 4.1274 -178.657 3.4542 0.986521 3.45542 -99.4965 GPRESSURE: 3562200 93.9066 59.0232 83.3163 24.6621 -151.476 34.4468 -96.5905 -25.2079 -99.5119 PRESSAVG: 3562200 15.6939 -35.6627 -28.4127 -35.6627 -28.393 26.4809 -28.4127 26.4809 32.0175 GPRESSAVG: 3562200 18.3855 -37.7544 -29.1978 -34.5766 -30.0889 28.9572 -27.9119 26.1402 30.8456 TIMING: 3562200 CPU: 10344.8, 0.00290219/step Wall: 10344.8, 0.00290219/step, 1.1591 hours remaining, 207.339844 MB of memory in use. ENERGY: 3562200 761.8330 2071.3545 1929.2888 117.7916 -206033.2467 17646.9811 0.0000 0.0000 34426.8735 -149079.1241 300.6584 -183505.9977 -148984.6424 299.6373 -84.6453 -52.3603 558186.3486 6.4395 6.3807 PRESSURE: 3562400 -189.784 -81.2436 -167.73 -81.2448 -50.8513 -44.0083 -167.73 -44.0095 -295.268 GPRESSURE: 3562400 -209.024 -148.549 -79.9376 -58.7431 40.9856 -155.757 -171.857 2.78021 -266.107 PRESSAVG: 3562400 -33.759 -0.0590707 1.9806 -0.0589638 -3.01543 -7.62921 1.9805 -7.62923 51.4895 GPRESSAVG: 3562400 -37.9987 0.728289 5.19312 0.456233 -0.659771 -9.33961 -1.93924 -7.75311 52.7859 TIMING: 3562400 CPU: 10345.4, 0.00292012/step Wall: 10345.4, 0.00292012/step, 1.1661 hours remaining, 207.339844 MB of memory in use. ENERGY: 3562400 753.1872 2083.9223 1946.6200 110.1757 -205773.2192 17596.7519 0.0000 0.0000 34309.0402 -148973.5219 299.6294 -183282.5621 -148881.9574 299.5352 -178.6344 -144.7150 559272.0238 4.9050 4.7091 PRESSURE: 3562600 26.7302 78.43 -171.781 78.4305 -106.639 42.454 -171.781 42.4538 55.6923 GPRESSURE: 3562600 20.9295 147.215 -282.42 37.1579 -129.217 102.523 -131.913 -39.6856 172.109 PRESSAVG: 3562600 -3.84054 13.6624 -75.2442 13.6623 -34.8917 10.8631 -75.2442 10.8632 19.1033 GPRESSAVG: 3562600 -2.10171 13.2476 -77.6242 14.2406 -36.0906 11.148 -70.2569 11.5922 18.9287 TIMING: 3562600 CPU: 10346, 0.0029506/step Wall: 10346, 0.0029506/step, 1.17811 hours remaining, 207.339844 MB of memory in use. ENERGY: 3562600 745.7267 2070.8605 1943.8611 118.0572 -205976.9952 17722.7694 0.0000 0.0000 34310.8496 -149064.8708 299.6452 -183375.7203 -148965.4920 300.0569 -8.0722 21.2736 559362.2931 -6.5430 -6.4212 PRESSURE: 3562800 -396.516 142.958 63.1609 142.959 -169.545 -43.4223 63.1613 -43.4229 -404.145 GPRESSURE: 3562800 -352.175 142.604 57.0363 125.446 -124.887 -88.5697 111.58 57.3413 -401.615 PRESSAVG: 3562800 -51.0375 23.8375 -22.3973 23.8374 6.31772 -15.2437 -22.3973 -15.2437 52.4835 GPRESSAVG: 3562800 -52.1663 25.4018 -21.4463 21.9418 7.03353 -15.0591 -23.9706 -15.958 53.0079 TIMING: 3562800 CPU: 10346.6, 0.00291312/step Wall: 10346.6, 0.00291312/step, 1.16298 hours remaining, 207.339844 MB of memory in use. ENERGY: 3562800 766.6200 2076.2223 1928.2608 106.4329 -205673.4710 17372.3144 0.0000 0.0000 34315.2046 -149108.4159 299.6832 -183423.6205 -148997.3094 299.8435 -323.4017 -292.8923 560124.1248 2.5879 2.6250 PRESSURE: 3563000 28.6606 31.9871 208.444 31.9871 -93.6424 86.48 208.444 86.4783 -67.1289 GPRESSURE: 3563000 60.6774 81.962 162.228 21.076 -84.9503 78.3914 235.119 67.8481 -6.63695 PRESSAVG: 3563000 -2.70864 2.42514 -14.941 2.42519 -23.187 11.4613 -14.9411 11.4612 15.2323 GPRESSAVG: 3563000 -2.01487 1.29116 -17.2293 2.44761 -23.5853 11.8203 -12.6017 10.891 15.037 TIMING: 3563000 CPU: 10347.1, 0.00293621/step Wall: 10347.1, 0.00293621/step, 1.17204 hours remaining, 207.339844 MB of memory in use. ENERGY: 3563000 783.3389 2087.5860 1945.0746 119.1095 -206278.0999 17876.2094 0.0000 0.0000 34212.0508 -149254.7309 298.7823 -183466.7816 -149157.9668 299.3112 -44.0369 -10.3033 558953.0579 -3.5545 -3.5211 PRESSURE: 3563200 -322.627 97.8216 174.647 97.821 -37.394 306.144 174.647 306.142 -61.7114 GPRESSURE: 3563200 -323.153 19.4304 147.875 115.64 -18.1814 349.151 191.22 315.099 21.1347 PRESSAVG: 3563200 -45.1743 62.3124 64.6635 62.3123 57.5886 13.0036 64.6635 13.0036 2.55071 GPRESSAVG: 3563200 -45.5919 61.1621 66.5033 64.1261 57.0557 14.0456 61.0561 12.5401 3.1521 TIMING: 3563200 CPU: 10347.7, 0.00295988/step Wall: 10347.7, 0.00295988/step, 1.18132 hours remaining, 207.339844 MB of memory in use. ENERGY: 3563200 727.5223 2109.5113 1928.4452 110.4087 -205941.0250 17614.0189 0.0000 0.0000 34206.7363 -149244.3823 298.7359 -183451.1186 -149142.9773 299.0514 -140.5773 -106.7332 559109.6006 4.9883 4.8720 PRESSURE: 3563400 -83.5658 -34.5412 -32.2885 -34.5401 -26.1377 71.146 -32.2882 71.147 -318.636 GPRESSURE: 3563400 -11.2936 -31.9324 28.8307 -56.1904 -51.161 115.397 -93.7552 12.6157 -280.754 PRESSAVG: 3563400 -75.3887 53.5768 85.7525 53.5768 15.8434 68.0425 85.7525 68.0425 18.5155 GPRESSAVG: 3563400 -74.8224 55.4044 85.1405 52.7536 15.2047 65.1907 85.409 70.2289 18.5213 TIMING: 3563400 CPU: 10348.3, 0.00293824/step Wall: 10348.3, 0.00293824/step, 1.17252 hours remaining, 207.339844 MB of memory in use. ENERGY: 3563400 785.9897 2125.6366 1942.7379 125.3689 -206417.7675 17812.1812 0.0000 0.0000 34488.3053 -149137.5479 301.1949 -183625.8532 -149032.5895 299.4848 -142.7800 -114.4027 557587.5904 -13.6766 -13.6988 PRESSURE: 3563600 -172.871 266.707 -47.3884 266.707 -174.626 -171.407 -47.3888 -171.406 -152.384 GPRESSURE: 3563600 -140.781 226.022 52.9004 200.05 -217.146 -236.078 -60.3857 -62.6927 -52.6763 PRESSAVG: 3563600 -27.9142 38.7342 -40.2153 38.7342 56.0595 10.5215 -40.2154 10.5215 0.0241683 GPRESSAVG: 3563600 -28.3859 37.0513 -39.4887 37.4416 57.0695 11.5226 -38.663 9.28142 -0.32368 TIMING: 3563600 CPU: 10348.9, 0.0029248/step Wall: 10348.9, 0.0029248/step, 1.167 hours remaining, 207.339844 MB of memory in use. ENERGY: 3563600 756.9058 2036.5604 1937.6310 115.6860 -205753.5248 17529.3815 0.0000 0.0000 34090.7080 -149286.6521 297.7226 -183377.3601 -149183.6494 299.0452 -166.6268 -136.8678 557720.1321 9.3898 9.4533 PRESSURE: 3563800 -415.066 80.2614 -89.8284 80.2624 -88.6285 -11.2583 -89.8293 -11.2585 -103.469 GPRESSURE: 3563800 -385.051 29.4221 -117.127 29.2406 -79.724 -11.954 -60.9977 -15.1155 -46.8152 PRESSAVG: 3563800 0.189858 4.34921 -29.5936 4.34917 -25.8365 36.4939 -29.5935 36.4938 32.0304 GPRESSAVG: 3563800 1.80774 4.65578 -31.3922 4.88025 -26.1945 35.2749 -28.6946 37.2876 31.0312 TIMING: 3563800 CPU: 10349.5, 0.00292161/step Wall: 10349.5, 0.00292161/step, 1.16556 hours remaining, 207.339844 MB of memory in use. ENERGY: 3563800 781.3606 2106.9344 1939.8470 110.3050 -205805.9684 17478.7720 0.0000 0.0000 34178.8679 -149209.8815 298.4926 -183388.7494 -149110.4196 299.1811 -202.3879 -170.5300 557197.8177 2.1279 2.2148 PRESSURE: 3564000 142.576 -36.088 -119.266 -36.0883 -138.415 -159.854 -119.265 -159.855 63.436 GPRESSURE: 3564000 148.899 -78.833 -199.223 -38.7785 -74.5366 -78.349 -138.448 -80.5014 89.4748 PRESSAVG: 3564000 -48.1823 -36.2153 -40.4206 -36.2152 4.87993 9.22978 -40.4206 9.22964 10.2336 GPRESSAVG: 3564000 -48.4625 -37.2213 -39.6781 -37.7774 5.77265 11.4078 -41.8637 8.0203 10.0692 TIMING: 3564000 CPU: 10350.1, 0.0029088/step Wall: 10350.1, 0.0029088/step, 1.16029 hours remaining, 207.339844 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: 3564000 747.4863 2065.2304 1921.9851 121.1086 -206292.3613 17992.2584 0.0000 0.0000 34301.5825 -149142.7099 299.5643 -183444.2924 -149041.5766 298.8241 22.5324 54.6125 558740.6145 -11.0229 -10.8736 PRESSURE: 3564200 -111.591 -202.979 52.069 -202.978 -150.371 72.0682 52.07 72.0691 -176.415 GPRESSURE: 3564200 -83.0041 -135.612 45.2422 -161.423 -131.106 57.9582 67.9673 142.804 -129.534 PRESSAVG: 3564200 -74.6637 -35.7771 37.5958 -35.7772 112.492 0.854665 37.5958 0.854724 -42.9269 GPRESSAVG: 3564200 -73.6181 -33.7631 36.4648 -34.1337 110.84 -0.184545 38.717 1.10439 -42.6767 TIMING: 3564200 CPU: 10350.7, 0.00292667/step Wall: 10350.7, 0.00292667/step, 1.16726 hours remaining, 207.339844 MB of memory in use. ENERGY: 3564200 738.9153 2096.0526 1961.4433 123.6382 -205897.1506 17554.2324 0.0000 0.0000 34354.5523 -149068.3165 300.0268 -183422.8688 -148970.5730 299.4529 -146.1254 -114.5483 557319.1178 -1.6995 -1.8183 LDB: ============= START OF LOAD BALANCING ============== 10354.1 LDB: ============== END OF LOAD BALANCING =============== 10354.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10354.1 LDB: ============= START OF LOAD BALANCING ============== 10354.4 LDB: Largest compute 4820 load 0.033682 is 28.6% of average load 0.117923 LDB: Average compute 0.001724 is 1.5% of average load 0.117923 LDB: TIME 10354.4 LOAD: AVG 0.117923 MAX 0.17917 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 10354.4 LOAD: AVG 0.117923 MAX 0.17917 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: TIME 10354.4 LOAD: AVG 0.117923 MAX 0.17917 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.379 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10354.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10354.4 PRESSURE: 3564400 294.285 52.2646 -28.1174 52.2638 218.247 -14.9435 -28.1175 -14.943 470.264 GPRESSURE: 3564400 368.369 73.8888 -0.383186 19.9596 269.259 32.2791 -71.6847 -11.0508 441.073 PRESSAVG: 3564400 62.703 23.2982 51.5323 23.2982 -23.0564 -25.8421 51.5322 -25.842 9.17917 GPRESSAVG: 3564400 61.8458 24.5626 52.7853 22.9412 -22.7362 -25.8877 51.3871 -26.5859 9.5325 TIMING: 3564400 CPU: 10351.3, 0.00297819/step Wall: 10351.3, 0.00297819/step, 1.18763 hours remaining, 208.351562 MB of memory in use. ENERGY: 3564400 746.2967 2112.0268 1944.8271 105.5113 -206484.0408 18125.6380 0.0000 0.0000 34341.5968 -149108.1441 299.9137 -183449.7409 -149014.5018 299.4589 327.5986 359.5672 556298.0306 16.2753 16.2140 PRESSURE: 3564600 -93.4259 0.173433 -19.5838 0.174396 -155.567 -36.7279 -19.5843 -36.7276 255.038 GPRESSURE: 3564600 -47.6284 32.2894 -16.061 -10.2678 -95.6457 -20.6383 -58.8505 -66.873 263.738 PRESSAVG: 3564600 -4.39102 47.8305 42.4138 47.8306 -11.0533 64.1289 42.4138 64.1289 -15.6978 GPRESSAVG: 3564600 -5.80295 45.8424 41.4546 49.6377 -11.1064 66.048 43.5718 63.7076 -14.3352 TIMING: 3564600 CPU: 10351.8, 0.00291378/step Wall: 10351.8, 0.00291378/step, 1.16179 hours remaining, 208.617188 MB of memory in use. ENERGY: 3564600 715.0809 2056.6103 1954.9244 107.5206 -206153.9344 17857.8873 0.0000 0.0000 34390.2958 -149071.6151 300.3390 -183461.9109 -148969.0374 299.8411 2.0149 40.1546 558465.4983 -10.3807 -10.4148 PRESSURE: 3564800 -78.555 -41.6339 -38.8632 -41.6331 -29.4038 136.035 -38.8627 136.036 -72.5438 GPRESSURE: 3564800 -61.6236 -47.1215 -44.3693 -23.5677 -37.5855 143.076 5.97459 109.537 11.7039 PRESSAVG: 3564800 -14.2632 2.57812 2.2625 2.57802 27.5576 -5.33326 2.26252 -5.33331 -0.0930303 GPRESSAVG: 3564800 -14.2202 2.70757 3.63785 1.87074 28.6109 -7.25075 4.04807 -4.592 -1.31987 TIMING: 3564800 CPU: 10352.4, 0.00289838/step Wall: 10352.4, 0.00289838/step, 1.15549 hours remaining, 208.617188 MB of memory in use. ENERGY: 3564800 724.2316 2111.3813 1970.5454 101.5882 -206152.2705 17788.7458 0.0000 0.0000 34405.3180 -149050.4602 300.4702 -183455.7781 -148957.5503 300.0344 -60.1676 -29.1684 558691.9910 4.4004 4.3570 PRESSURE: 3565000 -56.2118 -103.988 9.00644 -103.988 231.698 2.78843 9.00772 2.78793 -5.08584 GPRESSURE: 3565000 -19.4882 -57.3783 -108.886 -233.326 259.978 -22.5028 -22.2628 -17.9406 31.6392 PRESSAVG: 3565000 7.03914 -54.8906 1.0158 -54.8906 -20.5367 -23.6313 1.01586 -23.6312 -7.74664 GPRESSAVG: 3565000 7.07646 -54.4524 -0.863127 -56.2981 -20.1386 -22.9085 -0.506737 -23.1715 -7.15761 TIMING: 3565000 CPU: 10353, 0.00290279/step Wall: 10353, 0.00290279/step, 1.15708 hours remaining, 208.617188 MB of memory in use. ENERGY: 3565000 767.9172 2052.8387 1925.1934 105.1270 -206078.0814 17842.3127 0.0000 0.0000 34202.6861 -149182.0063 298.7006 -183384.6925 -149085.6367 299.2242 56.8003 90.7097 558521.0306 -7.0814 -6.7399 PRESSURE: 3565200 -38.5058 -40.8427 111.981 -40.8422 -4.15396 -0.886553 111.982 -0.885939 -220.249 GPRESSURE: 3565200 49.8334 -0.324838 97.725 4.63944 42.8772 -21.5011 57.3229 77.5069 -249.501 PRESSAVG: 3565200 -40.8689 -56.1565 -2.1077 -56.1565 6.93896 -22.3021 -2.10775 -22.3021 22.9054 GPRESSAVG: 3565200 -38.5186 -53.7479 -0.585341 -56.0569 5.00434 -24.7267 -2.49823 -21.7901 22.4355 TIMING: 3565200 CPU: 10353.6, 0.00291483/step Wall: 10353.6, 0.00291483/step, 1.16172 hours remaining, 208.617188 MB of memory in use. ENERGY: 3565200 730.1515 2120.6965 1962.8271 117.3173 -206067.3532 17822.9663 0.0000 0.0000 34149.9152 -149163.4794 298.2397 -183313.3946 -149071.1551 298.9878 -87.6362 -52.2636 559068.6986 -3.6749 -3.6929 PRESSURE: 3565400 -385.92 17.1295 -62.5987 17.1293 -113.215 -115.749 -62.5984 -115.751 23.6991 GPRESSURE: 3565400 -317.866 19.6221 -93.8928 55.6112 -60.3057 -23.0915 -2.59503 -174.992 -2.51182 PRESSAVG: 3565400 13.9062 41.8012 -26.6153 41.8012 -47.9202 13.347 -26.6154 13.347 -0.795225 GPRESSAVG: 3565400 12.9047 38.2498 -26.9365 45.6448 -46.5889 16.7212 -27.1216 10.5286 -1.64529 TIMING: 3565400 CPU: 10354.2, 0.00291789/step Wall: 10354.2, 0.00291789/step, 1.16278 hours remaining, 208.617188 MB of memory in use. ENERGY: 3565400 714.5179 2076.3228 1954.3054 115.9292 -205672.5597 17500.0124 0.0000 0.0000 34440.8656 -148870.6064 300.7806 -183311.4720 -148773.1177 299.3197 -158.4788 -126.8946 559112.5896 -11.6031 -11.7765 PRESSURE: 3565600 369.562 -167.417 72.506 -167.419 243.029 21.8105 72.5067 21.8106 -159.092 GPRESSURE: 3565600 368.596 -142.572 94.1515 -141.494 303.675 -16.9487 22.3873 42.0463 -124.151 PRESSAVG: 3565600 4.08902 47.0668 -32.7865 47.0668 -31.9259 13.8417 -32.7865 13.8417 53.3446 GPRESSAVG: 3565600 3.77722 48.2707 -32.5541 44.4001 -33.0239 11.0749 -31.4004 17.0952 54.4089 TIMING: 3565600 CPU: 10354.7, 0.00292253/step Wall: 10354.7, 0.00292253/step, 1.16447 hours remaining, 208.617188 MB of memory in use. ENERGY: 3565600 742.6102 2101.8134 1941.7355 113.8978 -206377.4736 18154.8015 0.0000 0.0000 34289.6552 -149032.9600 299.4601 -183322.6152 -148938.7208 299.6873 151.1664 182.7070 558392.0035 8.5026 8.3874 PRESSURE: 3565800 86.1716 -141.746 -98.5862 -141.746 -133.088 24.864 -98.5857 24.8642 -375.468 GPRESSURE: 3565800 116.217 -153.741 -204.291 -140.19 -125.787 120.683 -35.4427 -36.5027 -318.011 PRESSAVG: 3565800 55.6744 9.82399 17.0029 9.82401 9.7797 -10.0044 17.0029 -10.0044 -10.155 GPRESSAVG: 3565800 55.2871 9.1293 17.283 10.4132 10.1221 -9.16581 16.8073 -11.6018 -10.1671 TIMING: 3565800 CPU: 10355.3, 0.0029052/step Wall: 10355.3, 0.0029052/step, 1.1574 hours remaining, 208.617188 MB of memory in use. ENERGY: 3565800 753.9274 2112.0858 1933.0405 102.3153 -205864.0849 17695.5217 0.0000 0.0000 34467.7843 -148799.4099 301.0157 -183267.1942 -148706.9647 300.0562 -140.7948 -109.1940 559994.4629 18.4330 18.4140 PRESSURE: 3566000 -23.5948 94.0071 18.3458 94.0082 22.3856 -141.228 18.3468 -141.229 194.808 GPRESSURE: 3566000 57.4957 17.0693 65.7688 184.73 92.4008 -126.676 -72.0752 -77.8875 151.812 PRESSAVG: 3566000 63.8973 -33.6271 28.8878 -33.6271 -46.5914 -1.11391 28.8877 -1.11395 -7.87425 GPRESSAVG: 3566000 63.6204 -31.88 29.5774 -35.0719 -46.8522 -0.828467 26.425 -1.71306 -7.59562 TIMING: 3566000 CPU: 10355.9, 0.00290981/step Wall: 10355.9, 0.00290981/step, 1.15907 hours remaining, 208.617188 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: 3566000 721.7453 2071.7122 1979.0087 115.8243 -205891.1898 17849.0843 0.0000 0.0000 34404.5711 -148749.2440 300.4637 -183153.8151 -148647.8695 300.5260 64.5328 100.5695 557936.9808 3.1439 3.0575 PRESSURE: 3566200 -126.002 102.562 123.357 102.563 -99.5737 -18.6898 123.357 -18.6881 -179.475 GPRESSURE: 3566200 -99.2952 133.998 157.914 63.172 -100.162 46.9778 139.444 18.1023 -115.281 PRESSAVG: 3566200 -63.8759 8.92316 19.2107 8.92316 16.9909 -17.9481 19.2107 -17.9482 32.5678 GPRESSAVG: 3566200 -63.9134 7.30222 18.4367 10.8539 17.438 -17.5536 21.5007 -16.4987 32.1161 TIMING: 3566200 CPU: 10356.5, 0.00291481/step Wall: 10356.5, 0.00291481/step, 1.1609 hours remaining, 208.656250 MB of memory in use. ENERGY: 3566200 726.0133 2110.0867 1957.8574 114.9988 -205405.8347 17527.7655 0.0000 0.0000 34168.1612 -148800.9518 298.3991 -182969.1130 -148706.3617 299.9796 -135.0169 -104.9129 558376.8636 -4.7724 -4.7864 PRESSURE: 3566400 49.3353 -96.2842 99.079 -96.2847 165.001 -40.0553 99.079 -40.0568 -55.8845 GPRESSURE: 3566400 57.9668 -75.0737 68.5671 -102.213 213.115 -127.062 71.9758 -60.1513 -16.6723 PRESSAVG: 3566400 -48.7111 4.86497 30.9701 4.86496 23.6533 12.7849 30.9701 12.7849 44.5339 GPRESSAVG: 3566400 -48.9479 3.47783 30.9833 3.79115 23.4169 11.029 30.9726 13.5093 45.3754 TIMING: 3566400 CPU: 10357.1, 0.00293716/step Wall: 10357.1, 0.00293716/step, 1.16964 hours remaining, 208.656250 MB of memory in use. ENERGY: 3566400 706.7044 2093.7571 1959.6306 113.0065 -205607.9324 17670.3717 0.0000 0.0000 34195.9097 -148868.5524 298.6414 -183064.4621 -148770.1039 300.0760 52.8172 84.8030 558509.2384 6.4920 6.6148 PRESSURE: 3566600 165.312 -30.9564 -212.829 -30.9568 243.457 48.2629 -212.83 48.2634 -148.228 GPRESSURE: 3566600 162.541 -9.97415 -108.787 -81.2737 282.047 41.4065 -249.042 -2.25837 -105.696 PRESSAVG: 3566600 2.37298 16.904 -23.1434 16.9041 40.377 6.29726 -23.1434 6.29709 -39.605 GPRESSAVG: 3566600 1.9251 18.7944 -20.5081 16.8553 41.2907 8.26984 -23.9531 4.03341 -40.5322 TIMING: 3566600 CPU: 10357.7, 0.00292314/step Wall: 10357.7, 0.00292314/step, 1.1639 hours remaining, 208.656250 MB of memory in use. ENERGY: 3566600 751.4261 2055.5311 1954.4630 108.1718 -206175.1638 17954.0008 0.0000 0.0000 34426.9588 -148924.6123 300.6592 -183351.5711 -148819.6124 300.7942 86.8470 112.9641 558825.1993 1.0483 0.8945 PRESSURE: 3566800 216.308 42.7971 29.1457 42.7977 -214.796 119.42 29.1453 119.42 -23.9606 GPRESSURE: 3566800 227.277 23.474 48.9565 6.91518 -143.452 206.701 69.9907 36.603 -0.445002 PRESSAVG: 3566800 51.1529 -30.553 -37.047 -30.553 50.6403 56.454 -37.0471 56.454 -89.954 GPRESSAVG: 3566800 51.8896 -31.8639 -36.504 -30.8095 50.8088 53.7835 -40.5897 58.739 -89.9663 TIMING: 3566800 CPU: 10358.2, 0.00289514/step Wall: 10358.2, 0.00289514/step, 1.15259 hours remaining, 208.656250 MB of memory in use. ENERGY: 3566800 764.8590 2088.5261 1925.3513 111.6793 -206371.1563 17878.6994 0.0000 0.0000 34580.8902 -149021.1510 302.0035 -183602.0412 -148916.6559 300.1958 -7.4828 27.7931 557386.8097 3.9464 4.2440 PRESSURE: 3567000 44.6232 -0.268599 19.281 -0.268209 -135.652 -82.0738 19.2811 -82.0734 -291.234 GPRESSURE: 3567000 81.831 -23.9812 77.4965 21.384 -118.942 -84.3847 61.9876 -67.3827 -255.361 PRESSAVG: 3567000 -17.8144 -16.1546 -1.35684 -16.1547 0.640497 -2.23656 -1.35674 -2.23643 -48.3254 GPRESSAVG: 3567000 -18.1621 -15.6418 -3.86887 -16.4631 0.0532282 -1.23281 2.55692 -2.47794 -47.2775 TIMING: 3567000 CPU: 10358.8, 0.00293423/step Wall: 10358.8, 0.00293423/step, 1.16798 hours remaining, 208.656250 MB of memory in use. ENERGY: 3567000 767.7627 2082.0849 1961.6756 105.4520 -205943.5186 17678.5842 0.0000 0.0000 34449.7969 -148898.1622 300.8586 -183347.9591 -148804.8407 299.7564 -127.4210 -97.4906 558558.0943 -21.8331 -21.7955 PRESSURE: 3567200 -18.5887 -112.125 165.734 -112.124 21.659 34.191 165.734 34.1903 -56.9876 GPRESSURE: 3567200 14.4955 -154.244 64.1747 -137.001 91.7878 60.411 167.025 -45.1602 -75.4195 PRESSAVG: 3567200 4.14605 -11.8388 22.0164 -11.8389 -78.7754 -6.28722 22.0165 -6.28722 36.2966 GPRESSAVG: 3567200 4.49075 -11.9657 20.7481 -11.1332 -78.9362 -7.01242 21.6189 -7.49652 35.4868 TIMING: 3567200 CPU: 10359.4, 0.00295142/step Wall: 10359.4, 0.00295142/step, 1.17467 hours remaining, 208.656250 MB of memory in use. ENERGY: 3567200 717.5846 2100.0822 1988.9354 106.8176 -206226.9928 17854.7879 0.0000 0.0000 34454.8233 -149003.9619 300.9025 -183458.7852 -148915.6322 299.8089 -17.9724 10.2879 558936.4105 -12.7776 -12.9862 PRESSURE: 3567400 -182.066 19.3477 21.6415 19.348 -102.215 -5.02233 21.642 -5.02405 115.779 GPRESSURE: 3567400 -158.017 66.0837 64.7626 -61.6134 -2.42086 -32.9838 78.8549 34.7259 102.847 PRESSAVG: 3567400 25.5393 44.978 17.0439 44.9779 -43.4448 -34.5643 17.044 -34.5643 13.0166 GPRESSAVG: 3567400 25.2829 46.3009 19.7832 44.0913 -42.4178 -34.4861 15.5923 -33.4467 12.2952 TIMING: 3567400 CPU: 10360, 0.00293544/step Wall: 10360, 0.00293544/step, 1.16814 hours remaining, 208.656250 MB of memory in use. ENERGY: 3567400 769.9151 2073.2666 1974.1787 112.5310 -206152.3555 17775.2825 0.0000 0.0000 34524.3119 -148922.8696 301.5094 -183447.1815 -148831.1656 300.1321 -56.1671 -19.1971 558673.0134 -1.6297 -1.6132 PRESSURE: 3567600 -191.801 71.155 -3.87677 71.1552 -181.088 15.1777 -3.87681 15.1786 -61.769 GPRESSURE: 3567600 -139.869 74.1539 -32.023 43.1945 -123.439 -8.9509 -28.4621 9.1692 -83.5247 PRESSAVG: 3567600 -34.9467 2.03072 -4.57496 2.03077 -15.6233 -49.5728 -4.57496 -49.573 9.07883 GPRESSAVG: 3567600 -34.5844 2.36218 -6.17101 3.27656 -17.2301 -49.0126 -3.45971 -49.4299 10.298 TIMING: 3567600 CPU: 10360.6, 0.00291934/step Wall: 10360.6, 0.00291934/step, 1.16157 hours remaining, 208.656250 MB of memory in use. ENERGY: 3567600 749.5172 2070.3937 1952.9194 107.2891 -205748.4783 17681.3823 0.0000 0.0000 34322.0058 -148864.9708 299.7426 -183186.9766 -148767.6181 299.5164 -144.8860 -115.6107 558887.0628 -13.8304 -13.8388 PRESSURE: 3567800 -8.8947 19.8039 -3.24873 19.8034 -331.3 71.9305 -3.24817 71.9301 -120.037 GPRESSURE: 3567800 12.0023 4.91977 -44.6213 66.7949 -281.184 -21.847 31.0832 112.359 -106.833 PRESSAVG: 3567800 -31.2421 -59.8614 29.4447 -59.8614 -21.8751 -42.858 29.4447 -42.858 20.6044 GPRESSAVG: 3567800 -31.066 -60.1068 28.8138 -59.7302 -21.6901 -42.8437 30.2198 -43.2561 20.3887 TIMING: 3567800 CPU: 10361.2, 0.00295093/step Wall: 10361.2, 0.00295093/step, 1.17398 hours remaining, 208.656250 MB of memory in use. ENERGY: 3567800 754.2559 1998.0499 1957.6377 106.8638 -205674.8761 17480.5012 0.0000 0.0000 34459.8811 -148917.6864 300.9467 -183377.5676 -148821.2014 299.9792 -153.4104 -125.3384 557634.4407 -10.8376 -10.7891 PRESSURE: 3568000 101.771 37.7919 -103.695 37.7919 -91.6319 -107.589 -103.695 -107.591 316.297 GPRESSURE: 3568000 164.488 71.8319 41.8338 98.13 -66.942 -97.8684 -157.506 -105.117 334.288 PRESSAVG: 3568000 32.7965 -18.8317 13.1957 -18.8316 -15.5332 5.43925 13.1957 5.43919 7.5964 GPRESSAVG: 3568000 32.382 -17.0532 15.1412 -19.0891 -14.2479 7.75233 12.7054 5.31978 6.6371 TIMING: 3568000 CPU: 10361.8, 0.00291285/step Wall: 10361.8, 0.00291285/step, 1.15867 hours remaining, 208.656250 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: 3568000 755.8391 2086.5375 1984.8085 99.0294 -206448.5849 18134.7798 0.0000 0.0000 34416.2082 -148971.3823 300.5653 -183387.5905 -148875.7772 300.2570 108.8120 143.9447 557393.0981 8.2866 8.2571 PRESSURE: 3568200 125.327 101.394 -21.949 101.394 169.041 -14.7087 -21.9495 -14.709 -10.9514 GPRESSURE: 3568200 183.259 69.8217 -16.7825 75.6978 132.207 -48.7453 4.24161 -51.8797 57.0175 PRESSAVG: 3568200 21.3676 -29.3909 -25.869 -29.3908 2.19119 -12.2643 -25.8689 -12.2641 -37.1847 GPRESSAVG: 3568200 22.2187 -30.7907 -26.8876 -29.4153 1.24779 -13.324 -26.7344 -11.865 -36.4157 TIMING: 3568200 CPU: 10362.3, 0.00290555/step Wall: 10362.3, 0.00290555/step, 1.1556 hours remaining, 208.656250 MB of memory in use. ENERGY: 3568200 747.4274 2061.4494 1965.9122 116.8587 -206589.7853 18002.0100 0.0000 0.0000 34420.6849 -149275.4427 300.6044 -183696.1276 -149177.2870 299.5971 94.4723 124.1612 557113.3658 -4.5420 -4.3164 LDB: ============= START OF LOAD BALANCING ============== 10365.8 LDB: ============== END OF LOAD BALANCING =============== 10365.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10365.8 LDB: ============= START OF LOAD BALANCING ============== 10366.1 LDB: Largest compute 4820 load 0.034011 is 28.9% of average load 0.117845 LDB: Average compute 0.001739 is 1.5% of average load 0.117845 LDB: TIME 10366.1 LOAD: AVG 0.117845 MAX 0.178448 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.629 MB LDB: TIME 10366.1 LOAD: AVG 0.117845 MAX 0.178448 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: TIME 10366.1 LOAD: AVG 0.117845 MAX 0.178448 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.637 MB LDB: ============== END OF LOAD BALANCING =============== 10366.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10366.1 PRESSURE: 3568400 11.6219 177.454 -4.87107 177.453 -1.39313 55.6442 -4.87122 55.6447 35.3479 GPRESSURE: 3568400 47.7202 145.225 -49.8244 146.182 104.331 76.4596 7.19143 27.8156 -11.3774 PRESSAVG: 3568400 -12.3035 29.9116 -17.8681 29.9116 26.1922 6.5809 -17.8682 6.58086 -23.998 GPRESSAVG: 3568400 -11.8799 29.8035 -19.3758 29.1667 25.7698 6.43222 -18.8151 6.1242 -24.2221 TIMING: 3568400 CPU: 10362.9, 0.00296316/step Wall: 10362.9, 0.00296316/step, 1.17835 hours remaining, 209.058594 MB of memory in use. ENERGY: 3568400 751.0774 2061.5559 1984.1922 111.8874 -206141.2207 17639.1773 0.0000 0.0000 34346.4340 -149246.8965 299.9560 -183593.3304 -149146.7194 299.0649 15.1922 46.8911 556203.2383 -3.3698 -3.4441 PRESSURE: 3568600 -42.9623 24.8534 0.805009 24.8524 83.1237 26.1916 0.805511 26.1897 81.139 GPRESSURE: 3568600 26.5228 0.112422 -0.595984 -4.93658 75.7014 15.0822 65.8457 35.175 114.808 PRESSAVG: 3568600 -18.22 31.3522 8.97403 31.3522 60.9091 -31.1705 8.97408 -31.1706 -32.3617 GPRESSAVG: 3568600 -19.8447 31.2771 11.1225 32.0012 60.6607 -32.1492 10.5237 -30.2051 -30.4441 TIMING: 3568600 CPU: 10363.5, 0.00292869/step Wall: 10363.5, 0.00292869/step, 1.16448 hours remaining, 209.109375 MB of memory in use. ENERGY: 3568600 716.5656 2098.6280 1958.7763 109.7352 -206147.1210 17790.1884 0.0000 0.0000 34372.1962 -149101.0314 300.1809 -183473.2275 -149003.0495 299.4496 40.4335 72.3441 557688.0731 3.4424 3.4573 PRESSURE: 3568800 -162.875 72.881 74.74 72.8789 331.001 -182.994 74.7403 -182.994 46.6388 GPRESSURE: 3568800 -132.537 105.83 139.764 40.1279 337.612 -223.213 52.4537 -186.509 115.564 PRESSAVG: 3568800 -48.255 93.0297 -14.3781 93.0296 21.4357 -47.9463 -14.3782 -47.9462 22.2046 GPRESSAVG: 3568800 -48.0357 92.0582 -13.8671 93.1862 22.5164 -45.6677 -14.9659 -51.0427 21.0874 TIMING: 3568800 CPU: 10364.1, 0.00290393/step Wall: 10364.1, 0.00290393/step, 1.15447 hours remaining, 209.109375 MB of memory in use. ENERGY: 3568800 703.1236 2087.1060 1974.3532 112.0367 -206243.5260 17965.5943 0.0000 0.0000 34331.6569 -149069.6553 299.8269 -183401.3122 -148977.7061 299.8051 71.5884 106.8798 558001.2303 -1.5382 -1.4773 PRESSURE: 3569000 120.927 -90.2614 -83.6303 -90.2618 -71.2199 205.073 -83.632 205.072 -16.4645 GPRESSURE: 3569000 205.614 -83.9779 -73.3497 -178.289 -120.593 218.891 -91.2051 200.169 56.4718 PRESSAVG: 3569000 -51.7375 56.2267 8.90955 56.2267 54.9034 33.9574 8.90953 33.9574 -11.0902 GPRESSAVG: 3569000 -52.0621 56.3637 7.34962 57.1907 54.4651 34.4621 9.06985 33.4187 -10.589 TIMING: 3569000 CPU: 10364.7, 0.00293817/step Wall: 10364.7, 0.00293817/step, 1.16792 hours remaining, 209.109375 MB of memory in use. ENERGY: 3569000 737.3163 2101.1885 1969.3922 116.2951 -206023.6090 17746.2067 0.0000 0.0000 34260.2828 -149092.9275 299.2036 -183353.2103 -148992.3458 299.7361 11.0810 47.1640 557323.0816 -2.6414 -2.7287 PRESSURE: 3569200 19.0833 60.7555 1.81054 60.7558 104.687 -63.2204 1.81146 -63.2195 -385.799 GPRESSURE: 3569200 78.8196 -7.94621 -29.6372 140.284 108.268 -40.6259 44.8702 -49.0831 -363.985 PRESSAVG: 3569200 -13.5844 35.7109 16.1096 35.711 -7.62672 14.3669 16.1097 14.3668 8.95482 GPRESSAVG: 3569200 -12.5446 35.5957 17.0953 34.0144 -8.41187 14.4613 17.0416 14.1648 8.23885 TIMING: 3569200 CPU: 10365.3, 0.00293183/step Wall: 10365.3, 0.00293183/step, 1.16524 hours remaining, 209.121094 MB of memory in use. ENERGY: 3569200 704.0492 2124.8087 1989.0639 104.1943 -206163.0202 17658.6749 0.0000 0.0000 34330.3481 -149251.8811 299.8155 -183582.2292 -149156.1643 299.7535 -87.3428 -58.9659 557428.0155 -4.0854 -4.2392 PRESSURE: 3569400 73.6662 -15.1165 -53.2054 -15.1157 184.205 76.9009 -53.2046 76.8999 153.582 GPRESSURE: 3569400 151.113 -11.1459 20.737 24.2067 180.993 33.8678 -5.06539 119.104 176.586 PRESSAVG: 3569400 -9.2212 -8.61506 0.353924 -8.61497 -17.6192 -13.0908 0.353987 -13.0907 1.89722 GPRESSAVG: 3569400 -10.2247 -7.51111 -0.773348 -7.72224 -17.0498 -15.8489 0.81165 -10.7908 2.77774 TIMING: 3569400 CPU: 10365.9, 0.0029093/step Wall: 10365.9, 0.0029093/step, 1.15612 hours remaining, 209.121094 MB of memory in use. ENERGY: 3569400 733.5262 2063.2479 1952.3483 111.7068 -206326.8986 18026.6203 0.0000 0.0000 34088.4563 -149350.9929 297.7030 -183439.4491 -149254.2100 298.4490 137.1510 169.5638 557534.2148 -8.3144 -8.1656 PRESSURE: 3569600 -146.979 -90.5542 -37.0838 -90.5539 -111.022 -64.4053 -37.0839 -64.4043 -55.3537 GPRESSURE: 3569600 -103.234 -27.1989 -113.074 -168.602 -18.9771 -125.441 -12.1945 -44.141 -87.3442 PRESSAVG: 3569600 -67.995 18.9623 -13.2078 18.9622 1.70723 -55.6325 -13.2079 -55.6326 42.5179 GPRESSAVG: 3569600 -67.6891 19.8269 -13.7167 20.0822 2.33493 -54.7001 -13.0867 -56.4816 42.0335 TIMING: 3569600 CPU: 10366.4, 0.00290715/step Wall: 10366.4, 0.00290715/step, 1.15511 hours remaining, 209.121094 MB of memory in use. ENERGY: 3569600 724.3583 2074.0764 1943.8296 109.6187 -206169.7763 17659.6926 0.0000 0.0000 34382.8369 -149275.3638 300.2739 -183658.2007 -149179.7571 298.4862 -104.4516 -69.8517 558047.2568 -7.9233 -7.7735 PRESSURE: 3569800 -83.3587 103.603 -195.487 103.603 30.8012 163.992 -195.486 163.993 107.122 GPRESSURE: 3569800 -20.3757 79.2294 -125.371 192.564 59.7373 155.456 -260.773 108.627 96.5603 PRESSAVG: 3569800 19.2981 13.6762 -5.76136 13.6762 -75.282 7.33396 -5.76144 7.33382 88.5192 GPRESSAVG: 3569800 19.5412 12.1674 -4.68675 13.0016 -75.628 7.10105 -7.04562 7.3528 89.0983 TIMING: 3569800 CPU: 10367, 0.0029419/step Wall: 10367, 0.0029419/step, 1.16875 hours remaining, 209.121094 MB of memory in use. ENERGY: 3569800 776.0619 2021.9127 1953.1722 108.0509 -206132.2721 17745.3153 0.0000 0.0000 34100.9757 -149426.7834 297.8123 -183527.7591 -149334.4723 298.0842 18.1880 45.3073 556710.5660 10.8451 11.0038 PRESSURE: 3570000 31.1794 31.5774 -181.546 31.5775 -367.728 59.0486 -181.545 59.0492 -367.983 GPRESSURE: 3570000 8.78003 58.6638 -152.207 -20.3361 -319.919 24.9989 -160.099 101.195 -288.273 PRESSAVG: 3570000 47.8213 -38.2696 -32.3995 -38.2696 -34.4542 50.3761 -32.3995 50.3761 6.14324 GPRESSAVG: 3570000 48.2923 -39.6459 -30.6504 -40.6305 -35.5598 49.3669 -31.1509 50.8384 6.8161 TIMING: 3570000 CPU: 10367.6, 0.00293091/step Wall: 10367.6, 0.00293091/step, 1.16422 hours remaining, 209.121094 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: 3570000 746.1797 2075.4277 1932.8471 94.0167 -206129.8938 17633.0241 0.0000 0.0000 34199.3167 -149449.0819 298.6711 -183648.3986 -149349.3570 298.3607 -234.8439 -199.8039 557398.8243 6.5034 6.5162 PRESSURE: 3570200 216.784 -29.6153 192.751 -29.6146 71.923 -21.4587 192.75 -21.4603 -168.366 GPRESSURE: 3570200 207.283 -32.1759 125.476 0.227184 116.347 -135.541 129.919 2.87052 -102.374 PRESSAVG: 3570200 34.0616 -53.9108 35.7497 -53.9108 -29.4317 -17.8648 35.7497 -17.8649 -13.0992 GPRESSAVG: 3570200 35.2791 -51.4866 33.8505 -52.1768 -30.0155 -17.7256 34.8569 -18.7974 -13.5314 TIMING: 3570200 CPU: 10368.2, 0.00291482/step Wall: 10368.2, 0.00291482/step, 1.15767 hours remaining, 209.121094 MB of memory in use. ENERGY: 3570200 725.6486 2074.3683 1937.8858 100.6343 -206277.0329 17799.2425 0.0000 0.0000 34190.8082 -149448.4451 298.5968 -183639.2533 -149354.2738 298.9142 40.1136 73.7519 556178.0303 -2.8231 -2.7559 PRESSURE: 3570400 196.626 29.494 -174.651 29.4945 44.7591 -9.18944 -174.651 -9.19065 -120.58 GPRESSURE: 3570400 188.593 89.8893 -131.484 -6.11547 111.071 -87.2795 -190.091 36.2821 -84.0394 PRESSAVG: 3570400 9.79393 13.367 -7.03957 13.367 -16.4356 37.4617 -7.0396 37.4617 34.026 GPRESSAVG: 3570400 8.01086 11.3812 -6.64204 13.6312 -14.0239 39.802 -7.29026 35.6344 33.2524 TIMING: 3570400 CPU: 10368.8, 0.0029101/step Wall: 10368.8, 0.0029101/step, 1.15563 hours remaining, 209.121094 MB of memory in use. ENERGY: 3570400 745.4421 2094.4511 1949.0443 122.4118 -206547.5274 17924.1401 0.0000 0.0000 34292.7491 -149419.2890 299.4871 -183712.0381 -149325.1967 298.9850 40.2683 71.8746 556587.0502 9.1281 9.0798 PRESSURE: 3570600 167.24 -71.9691 99.8465 -71.9696 -136.987 -48.9794 99.8461 -48.9788 75.0665 GPRESSURE: 3570600 224.074 -97.3138 109.808 37.0366 -98.5005 -17.0734 135.439 -72.426 78.5977 PRESSAVG: 3570600 147.765 -9.06358 -33.3146 -9.06357 -87.3035 -58.2963 -33.3147 -58.2964 12.4456 GPRESSAVG: 3570600 149.06 -8.79246 -32.4875 -10.6156 -89.7219 -60.2626 -35.1896 -56.9721 13.7241 TIMING: 3570600 CPU: 10369.4, 0.00290675/step Wall: 10369.4, 0.00290675/step, 1.15414 hours remaining, 209.121094 MB of memory in use. ENERGY: 3570600 704.5721 2031.1091 1978.5393 107.2323 -206203.7603 17865.0665 0.0000 0.0000 34167.6130 -149349.6280 298.3943 -183517.2410 -149251.6317 298.6895 35.1065 68.0570 557730.6297 24.3024 24.3541 PRESSURE: 3570800 -63.4857 80.3964 -79.9752 80.3943 -206.09 -21.7082 -79.9754 -21.7074 7.20324 GPRESSURE: 3570800 -42.347 125.304 -46.9136 69.2282 -176.705 -5.09833 -85.6097 13.6217 43.5732 PRESSAVG: 3570800 14.5397 43.0061 31.9153 43.0061 -18.3862 4.39289 31.9153 4.39283 8.07817 GPRESSAVG: 3570800 14.8739 44.134 31.8389 43.9342 -18.0735 5.89563 33.7809 3.5749 7.59318 TIMING: 3570800 CPU: 10369.9, 0.00290795/step Wall: 10369.9, 0.00290795/step, 1.15446 hours remaining, 209.121094 MB of memory in use. ENERGY: 3570800 774.5952 2049.1529 1961.0543 103.7540 -206190.1277 17872.7923 0.0000 0.0000 34146.8266 -149281.9525 298.2127 -183428.7791 -149182.5703 298.6582 -87.4575 -58.4929 558811.7684 1.4106 1.4645 PRESSURE: 3571000 127.156 -34.3026 -63.932 -34.3026 88.076 138.352 -63.9321 138.351 49.0826 GPRESSURE: 3571000 173.776 -73.624 0.55606 -65.8181 146.578 125.672 -67.4277 153.721 20.457 PRESSAVG: 3571000 10.3485 8.03722 -26.2634 8.03715 -21.5161 39.9722 -26.2634 39.9722 12.4349 GPRESSAVG: 3571000 10.7326 8.91639 -27.5129 4.04827 -21.317 39.9867 -25.7645 40.1313 12.1722 TIMING: 3571000 CPU: 10370.5, 0.0029311/step Wall: 10370.5, 0.0029311/step, 1.16348 hours remaining, 209.121094 MB of memory in use. ENERGY: 3571000 755.5938 2059.8749 1944.3932 126.9889 -205955.3326 17861.7621 0.0000 0.0000 34051.7338 -149154.9860 297.3823 -183206.7198 -149060.4174 298.7138 88.1050 113.6036 558725.6819 0.4225 0.5293 PRESSURE: 3571200 30.0035 25.0968 30.8996 25.0972 189.553 143.298 30.9007 143.297 270.54 GPRESSURE: 3571200 82.7013 -1.15593 34.4138 22.9963 240.966 153.728 38.77 98.1738 257.724 PRESSAVG: 3571200 16.5384 13.9606 26.3202 13.9605 -22.609 22.3735 26.3202 22.3736 -18.6181 GPRESSAVG: 3571200 15.1894 12.5167 27.4351 18.5402 -22.0886 22.6319 23.4669 22.6068 -18.2043 TIMING: 3571200 CPU: 10371.1, 0.0029152/step Wall: 10371.1, 0.0029152/step, 1.15701 hours remaining, 209.121094 MB of memory in use. ENERGY: 3571200 728.7680 2051.4019 1963.7772 117.9163 -205863.1516 17768.0559 0.0000 0.0000 34221.4845 -149011.7479 298.8647 -183233.2323 -148914.7573 298.6536 163.3657 193.7971 556273.2890 -8.2295 -8.3678 PRESSURE: 3571400 215.414 -59.2446 141.214 -59.2441 -55.4264 37.8696 141.216 37.8699 327.91 GPRESSURE: 3571400 217.569 16.4956 92.0191 -102.81 -21.6667 -0.983436 128.505 49.7441 387.198 PRESSAVG: 3571400 -55.064 16.0572 9.25717 16.057 29.8763 70.1299 9.25723 70.1298 52.1819 GPRESSAVG: 3571400 -54.7395 15.1887 8.0443 16.8677 29.6433 70.5699 11.2587 69.3282 51.9962 TIMING: 3571400 CPU: 10371.7, 0.00292382/step Wall: 10371.7, 0.00292382/step, 1.16027 hours remaining, 209.121094 MB of memory in use. ENERGY: 3571400 672.8230 2034.4358 1960.4857 110.1308 -206097.5288 17926.0070 0.0000 0.0000 34387.7382 -149005.9082 300.3167 -183393.6464 -148898.6348 299.1968 162.6327 194.3665 557257.6196 8.9981 8.9666 PRESSURE: 3571600 -68.512 -100.573 9.38891 -100.573 -254.083 12.7892 9.38754 12.7885 -212.091 GPRESSURE: 3571600 -9.75343 -108.724 17.1912 -123.205 -257.047 39.6193 39.1463 5.49545 -161.055 PRESSAVG: 3571600 -65.1273 -24.5835 14.2549 -24.5835 31.6369 1.43398 14.2549 1.43397 1.5773 GPRESSAVG: 3571600 -65.4342 -23.656 14.1654 -26.7018 32.5639 2.01667 14.163 2.02258 0.962262 TIMING: 3571600 CPU: 10372.3, 0.0029069/step Wall: 10372.3, 0.0029069/step, 1.15339 hours remaining, 209.121094 MB of memory in use. ENERGY: 3571600 700.8818 2071.4137 1950.0488 109.3708 -205861.3485 17593.9731 0.0000 0.0000 34337.4936 -149098.1667 299.8779 -183435.6603 -149000.2511 299.4878 -178.2288 -142.6187 559853.5268 -10.6377 -10.6360 PRESSURE: 3571800 20.4562 41.5427 49.6581 41.5428 -565.62 -119.337 49.6582 -119.338 -13.8887 GPRESSURE: 3571800 19.6292 89.8455 30.3609 134.021 -517.255 -118.085 43.3252 -94.5456 29.1821 PRESSAVG: 3571800 -23.194 -40.308 18.8177 -40.308 -57.8473 -28.7349 18.8178 -28.7348 69.385 GPRESSAVG: 3571800 -23.5802 -40.1608 17.3492 -40.2986 -58.4733 -30.7942 18.6241 -26.0516 70.2456 TIMING: 3571800 CPU: 10372.9, 0.00294235/step Wall: 10372.9, 0.00294235/step, 1.16729 hours remaining, 209.121094 MB of memory in use. ENERGY: 3571800 752.8393 2035.3563 1961.3329 108.3226 -205674.8053 17691.3602 0.0000 0.0000 34147.4854 -148978.1087 298.2185 -183125.5940 -148876.1237 299.0610 -186.3510 -156.1478 560625.5529 -3.8855 -3.9360 PRESSURE: 3572000 -114.414 207.998 67.9173 207.999 -6.49831 152.014 67.9181 152.015 46.8533 GPRESSURE: 3572000 -101.744 177.198 127.786 196.172 57.8751 177.91 115.803 159.55 75.8804 PRESSAVG: 3572000 42.6729 5.8525 6.68224 5.85247 -66.6534 -29.8288 6.68225 -29.8288 22.3151 GPRESSAVG: 3572000 43.7803 5.94196 10.2674 6.71574 -66.5902 -28.0606 6.81315 -32.589 21.3091 TIMING: 3572000 CPU: 10373.4, 0.00291668/step Wall: 10373.4, 0.00291668/step, 1.15695 hours remaining, 209.121094 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: 3572000 712.0775 2114.7079 1946.0066 130.3302 -206278.5178 17977.7783 0.0000 0.0000 34347.6242 -149049.9931 299.9663 -183397.6173 -148954.5163 299.2048 -24.6862 10.6704 560090.1838 -0.5551 -0.5003 PRESSURE: 3572200 -108.697 43.901 -38.1027 43.9022 -131.164 -12.3729 -38.1015 -12.3727 5.92942 GPRESSURE: 3572200 19.0415 2.75953 -50.9872 51.9791 -143.757 17.9331 -73.6724 36.9214 -5.56849 PRESSAVG: 3572200 5.83521 60.1303 74.5353 60.1304 -26.9604 -12.6775 74.5353 -12.6775 38.5153 GPRESSAVG: 3572200 5.58102 61.4012 72.5262 59.0135 -27.1661 -16.4114 75.8195 -10.1557 39.3999 TIMING: 3572200 CPU: 10374, 0.00295842/step Wall: 10374, 0.00295842/step, 1.17334 hours remaining, 209.121094 MB of memory in use. ENERGY: 3572200 700.2379 2037.7932 1949.5699 105.8095 -205833.5957 17602.1557 0.0000 0.0000 34318.4559 -149119.5737 299.7116 -183438.0296 -149024.0712 298.8398 -77.9770 -43.4279 560531.1816 5.7967 5.9383 LDB: ============= START OF LOAD BALANCING ============== 10377.5 LDB: ============== END OF LOAD BALANCING =============== 10377.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10377.5 LDB: ============= START OF LOAD BALANCING ============== 10377.8 LDB: Largest compute 4820 load 0.034849 is 29.6% of average load 0.117749 LDB: Average compute 0.001733 is 1.5% of average load 0.117749 LDB: TIME 10377.8 LOAD: AVG 0.117749 MAX 0.179809 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.082 MB LDB: TIME 10377.8 LOAD: AVG 0.117749 MAX 0.179809 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: TIME 10377.8 LOAD: AVG 0.117749 MAX 0.179809 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: ============== END OF LOAD BALANCING =============== 10377.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10377.8 PRESSURE: 3572400 -21.7057 28.6646 -5.8179 28.666 197.274 -94.0597 -5.81837 -94.0583 150.532 GPRESSURE: 3572400 -32.029 -13.8145 1.30797 99.0298 264.263 -17.9066 -32.1766 -49.6437 202.939 PRESSAVG: 3572400 -71.84 24.5421 0.340693 24.5421 28.6001 45.2753 0.340738 45.2753 27.3108 GPRESSAVG: 3572400 -72.5693 21.8818 -0.135935 25.94 29.7529 46.7471 -0.585299 45.9859 26.8428 TIMING: 3572400 CPU: 10374.6, 0.00300908/step Wall: 10374.6, 0.00300908/step, 1.19327 hours remaining, 205.996094 MB of memory in use. ENERGY: 3572400 723.3597 2071.1088 1953.6106 105.1312 -206138.4038 17877.1032 0.0000 0.0000 34220.9697 -149187.1207 298.8602 -183408.0905 -149084.4828 298.5729 108.7001 145.0579 559693.2519 -5.3097 -5.3245 PRESSURE: 3572600 -354.594 4.34211 63.9294 4.34182 -197.658 -154.998 63.93 -154.998 -32.9573 GPRESSURE: 3572600 -335.471 13.3043 98.6965 -18.8763 -159.664 -118.559 90.3251 -177.688 -5.06848 PRESSAVG: 3572600 -30.0333 37.296 76.3226 37.2958 21.2971 27.851 76.3225 27.851 27.4913 GPRESSAVG: 3572600 -30.1271 38.1957 77.8791 36.1418 21.3154 27.2282 77.0694 27.579 27.8807 TIMING: 3572600 CPU: 10375.2, 0.00294666/step Wall: 10375.2, 0.00294666/step, 1.16835 hours remaining, 206.140625 MB of memory in use. ENERGY: 3572600 748.6319 2085.9888 1946.2755 108.1459 -205901.2756 17633.3799 0.0000 0.0000 34115.7002 -149263.1534 297.9409 -183378.8536 -149161.7026 299.0544 -195.0698 -166.7345 560000.4065 6.2517 6.3563 PRESSURE: 3572800 84.5244 27.1662 28.7248 27.1667 13.9238 46.8714 28.7247 46.8726 266.363 GPRESSURE: 3572800 136.215 12.6576 -28.6066 67.3428 62.695 59.0473 8.53559 52.8008 271.988 PRESSAVG: 3572800 -20.955 -2.43642 0.0842852 -2.43644 4.12324 -14.7593 0.0842743 -14.7593 19.7552 GPRESSAVG: 3572800 -21.9584 -2.39963 -1.28649 -2.1977 4.57009 -13.3453 -0.828987 -16.8027 20.1919 TIMING: 3572800 CPU: 10375.8, 0.00294122/step Wall: 10375.8, 0.00294122/step, 1.16603 hours remaining, 206.277344 MB of memory in use. ENERGY: 3572800 728.3115 2087.3470 1930.7721 102.5193 -206338.5847 17973.3526 0.0000 0.0000 34157.9836 -149358.2986 298.3102 -183516.2822 -149270.8207 298.6749 121.6036 156.9661 557107.9501 0.9745 0.9345 PRESSURE: 3573000 -77.8768 116.365 119.319 116.365 72.6424 -50.0175 119.319 -50.0172 234.815 GPRESSURE: 3573000 -20.6975 139.541 109.946 161.626 79.9352 -29.3932 46.5524 -20.7133 251.267 PRESSAVG: 3573000 21.2214 13.9756 -51.0198 13.9755 -33.4238 -14.9206 -51.0197 -14.9207 22.9439 GPRESSAVG: 3573000 21.9224 14.6305 -52.2364 14.4844 -33.6997 -16.3049 -49.5473 -13.325 22.6113 TIMING: 3573000 CPU: 10376.4, 0.00295197/step Wall: 10376.4, 0.00295197/step, 1.17013 hours remaining, 206.277344 MB of memory in use. ENERGY: 3573000 709.6125 2041.7860 1944.7257 111.0426 -206033.1729 17715.3203 0.0000 0.0000 34124.7186 -149385.9672 298.0197 -183510.6858 -149298.0107 298.8366 76.5270 103.5015 557426.2992 3.5805 3.6114 PRESSURE: 3573200 74.6545 -113.876 87.1396 -113.877 37.5653 54.8789 87.1397 54.8796 -48.555 GPRESSURE: 3573200 124.078 -84.424 77.2905 -178.14 61.4997 -7.72087 118.369 9.29621 -30.381 PRESSAVG: 3573200 -26.6496 73.5822 20.4503 73.5822 -4.92879 11.3455 20.4503 11.3455 39.5857 GPRESSAVG: 3573200 -27.7427 72.6645 23.5576 71.4053 -5.55282 10.5575 18.1144 11.4182 40.9924 TIMING: 3573200 CPU: 10377, 0.00296243/step Wall: 10377, 0.00296243/step, 1.17411 hours remaining, 206.277344 MB of memory in use. ENERGY: 3573200 769.9236 2024.5583 1976.3402 100.9445 -206120.2018 17810.4228 0.0000 0.0000 34298.4323 -149139.5801 299.5367 -183438.0124 -149043.5264 298.9275 21.2216 51.7322 556455.8077 2.6691 2.5656 PRESSURE: 3573400 -276.277 6.70965 159.435 6.70996 -31.6825 143.761 159.435 143.76 -263.694 GPRESSURE: 3573400 -226.135 80.4742 172.928 15.5781 -22.8831 230.082 172.326 -0.325735 -222.317 PRESSAVG: 3573400 -53.7516 20.9003 -23.3337 20.9002 -7.2367 -23.042 -23.3337 -23.042 84.6073 GPRESSAVG: 3573400 -52.6002 21.3688 -24.5227 23.9479 -7.5804 -23.1379 -23.3439 -22.5033 83.2058 TIMING: 3573400 CPU: 10377.6, 0.00294783/step Wall: 10377.6, 0.00294783/step, 1.16816 hours remaining, 206.277344 MB of memory in use. ENERGY: 3573400 761.8626 2025.5431 1950.2631 105.5466 -205600.2946 17430.7589 0.0000 0.0000 34219.7670 -149106.5533 298.8497 -183326.3202 -149010.3645 299.7455 -190.5509 -157.1118 558246.3507 7.8730 7.6751 PRESSURE: 3573600 -246.192 109.196 -119.3 109.196 -564.851 -64.2807 -119.3 -64.2805 177.867 GPRESSURE: 3573600 -187.181 66.1328 -105.036 31.8436 -509.267 -53.3583 -107.913 -20.5185 166.344 PRESSAVG: 3573600 -109.129 18.462 39.3699 18.4619 47.1408 7.59221 39.3698 7.59213 58.5316 GPRESSAVG: 3573600 -109.818 17.6344 40.3743 16.2619 47.556 8.10252 41.6357 6.61317 59.019 TIMING: 3573600 CPU: 10378.2, 0.00293956/step Wall: 10378.2, 0.00293956/step, 1.16472 hours remaining, 206.277344 MB of memory in use. ENERGY: 3573600 735.7000 2048.9834 1974.7867 102.1998 -205729.1997 17505.4575 0.0000 0.0000 34270.2807 -149091.7916 299.2909 -183362.0723 -149004.3558 299.9378 -211.0585 -176.7015 557705.3192 -1.1523 -1.0810 PRESSURE: 3573800 -45.2984 -150.79 40.0184 -150.791 -151.421 6.20733 40.0183 6.20679 -392.237 GPRESSURE: 3573800 -55.9758 -107.206 11.1246 -204.764 -102.018 53.4427 42.2845 -20.1088 -334.987 PRESSAVG: 3573800 -6.87902 9.73309 61.5864 9.73309 -38.3504 -4.76773 61.5863 -4.76776 38.4571 GPRESSAVG: 3573800 -6.95894 11.905 61.1281 9.23723 -37.7918 -4.01389 59.9078 -3.86338 37.1642 TIMING: 3573800 CPU: 10378.8, 0.0029559/step Wall: 10378.8, 0.0029559/step, 1.17103 hours remaining, 206.277344 MB of memory in use. ENERGY: 3573800 765.9664 2067.7173 1979.6618 112.0231 -206066.7479 17502.1931 0.0000 0.0000 34423.6845 -149215.5018 300.6306 -183639.1863 -149124.6978 299.8315 -196.3188 -164.3270 556482.2267 -2.2574 -2.5288 PRESSURE: 3574000 -131.003 48.6489 -8.26482 48.6504 -253.311 -38.1372 -8.26531 -38.1368 -185.249 GPRESSURE: 3574000 -63.2981 68.6171 -37.378 37.0459 -210.423 -29.5337 20.262 22.0951 -199.774 PRESSAVG: 3574000 27.9797 11.5199 13.7209 11.5199 -43.752 11.1163 13.7209 11.1162 50.0615 GPRESSAVG: 3574000 27.7661 9.09312 12.9293 13.3939 -43.578 11.046 15.3994 11.2677 50.2453 TIMING: 3574000 CPU: 10379.4, 0.00295417/step Wall: 10379.4, 0.00295417/step, 1.17018 hours remaining, 206.277344 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: 3574000 777.3651 2067.1227 1986.4479 118.7458 -205779.2522 17466.4389 0.0000 0.0000 34059.6906 -149303.4412 297.4517 -183363.1318 -149207.8795 299.2768 -189.8542 -157.8317 557210.0353 11.4297 11.4778 PRESSURE: 3574200 -272.599 24.9442 -60.6358 24.9446 -71.1556 2.92907 -60.6345 2.93002 -233.953 GPRESSURE: 3574200 -262.965 70.6751 -63.3827 -24.9223 -6.29614 59.4508 -7.41095 0.809329 -216.749 PRESSAVG: 3574200 -10.4364 32.7095 4.65933 32.7095 -44.8757 -21.6313 4.65936 -21.6311 22.6127 GPRESSAVG: 3574200 -10.9229 32.535 4.7208 33.0169 -46.1135 -21.2001 5.68659 -22.5338 23.9238 TIMING: 3574200 CPU: 10380, 0.00298415/step Wall: 10380, 0.00298415/step, 1.18189 hours remaining, 206.277344 MB of memory in use. ENERGY: 3574200 738.1298 2029.1755 1972.1631 122.8012 -205810.4495 17441.6350 0.0000 0.0000 34094.8184 -149411.7265 297.7585 -183506.5449 -149308.9574 298.9678 -192.5692 -162.0034 557654.7532 -10.8998 -11.0375 PRESSURE: 3574400 -132.07 -20.3256 86.9474 -20.3258 -77.361 -24.0038 86.9465 -24.0042 -49.2983 GPRESSURE: 3574400 -94.5699 -23.9209 102.099 -45.9532 -15.2037 -62.0888 35.3875 -58.3595 -46.0388 PRESSAVG: 3574400 6.29786 -4.16983 37.4479 -4.16975 10.9133 -17.7931 37.448 -17.793 -1.51196 GPRESSAVG: 3574400 7.06883 -3.59908 39.2404 -4.72833 13.2408 -17.3147 34.0261 -17.9168 -4.20388 TIMING: 3574400 CPU: 10380.6, 0.00295814/step Wall: 10380.6, 0.00295814/step, 1.17142 hours remaining, 206.277344 MB of memory in use. ENERGY: 3574400 749.3588 2093.3602 1925.5918 116.7448 -206174.2321 17644.7867 0.0000 0.0000 34070.0804 -149574.3095 297.5425 -183644.3899 -149475.8795 298.2212 -86.2430 -51.9375 556753.9470 5.2331 5.3686 PRESSURE: 3574600 184.06 -19.6865 89.4812 -19.6877 124.039 -0.981052 89.4823 -0.979993 -12.9545 GPRESSURE: 3574600 122.047 4.52496 55.9669 -51.2153 188.254 -41.4206 107.168 -6.82845 71.5783 PRESSAVG: 3574600 22.7938 12.0779 22.9488 12.0779 53.012 14.3275 22.9488 14.3275 -47.3996 GPRESSAVG: 3574600 22.6528 12.9207 20.803 12.0762 52.6691 12.774 25.4566 16.6757 -46.4467 TIMING: 3574600 CPU: 10381.1, 0.00296425/step Wall: 10381.1, 0.00296425/step, 1.17368 hours remaining, 206.277344 MB of memory in use. ENERGY: 3574600 755.4248 2121.0078 1953.8188 112.0012 -206854.2748 18079.6964 0.0000 0.0000 34279.9363 -149552.3895 299.3752 -183832.3258 -149457.6377 298.9323 98.3815 127.2932 556060.6941 9.4688 9.6251 PRESSURE: 3574800 -102.379 74.5138 13.1393 74.5146 39.5239 -150.621 13.14 -150.623 77.4005 GPRESSURE: 3574800 5.05269 6.81736 -63.2012 95.4526 40.4257 -153.542 59.5644 -147.574 68.7917 PRESSAVG: 3574800 27.184 15.8617 -12.0446 15.8617 19.575 -12.0142 -12.0446 -12.0143 -20.6732 GPRESSAVG: 3574800 26.1553 15.2581 -12.8434 17.598 20.3824 -10.346 -12.1698 -13.8645 -20.9678 TIMING: 3574800 CPU: 10381.7, 0.00292598/step Wall: 10381.7, 0.00292598/step, 1.15836 hours remaining, 206.277344 MB of memory in use. ENERGY: 3574800 769.1564 2097.5944 1950.5423 99.9780 -206462.1324 17919.5758 0.0000 0.0000 34273.1539 -149352.1316 299.3160 -183625.2855 -149247.1328 298.9195 4.8484 38.0900 556957.9364 8.6953 8.5233 PRESSURE: 3575000 3.43206 43.6923 -253.293 43.6916 -34.1816 2.58364 -253.291 2.58461 -45.6607 GPRESSURE: 3575000 27.3667 28.4071 -162.181 92.8023 15.4071 -52.2801 -259.952 39.7946 -20.965 PRESSAVG: 3575000 -10.0097 13.4895 15.1344 13.4896 28.8061 -22.9392 15.1344 -22.9393 -42.0566 GPRESSAVG: 3575000 -9.15747 15.8078 16.1559 10.4391 28.0653 -23.2552 16.8538 -22.9574 -41.9561 TIMING: 3575000 CPU: 10382.3, 0.00294107/step Wall: 10382.3, 0.00294107/step, 1.16417 hours remaining, 206.277344 MB of memory in use. ENERGY: 3575000 706.6914 2060.1471 1958.9414 100.3943 -206684.9755 17938.9007 0.0000 0.0000 34371.0142 -149548.8863 300.1706 -183919.9005 -149450.7920 298.6021 -25.4701 7.2696 558389.6114 -7.7534 -7.6828 PRESSURE: 3575200 32.073 160.094 16.2434 160.096 130.066 -53.2124 16.2435 -53.213 -92.9336 GPRESSURE: 3575200 119.209 148.432 17.8924 165.184 80.3698 -3.70267 26.4847 -85.9173 -34.4451 PRESSAVG: 3575200 -9.0545 -26.9861 -37.4369 -26.9861 64.0456 36.9614 -37.4369 36.9614 -31.9795 GPRESSAVG: 3575200 -8.64626 -27.7599 -37.3463 -26.9 62.23 35.7842 -39.29 38.3293 -30.5585 TIMING: 3575200 CPU: 10382.9, 0.0029381/step Wall: 10382.9, 0.0029381/step, 1.16283 hours remaining, 206.277344 MB of memory in use. ENERGY: 3575200 720.1917 2088.7788 1949.6895 108.1613 -206540.0050 17888.6668 0.0000 0.0000 34252.0884 -149532.4284 299.1320 -183784.5168 -149431.3798 298.5588 23.0683 55.0447 558047.1741 7.6705 7.6751 PRESSURE: 3575400 -94.7205 -46.7536 4.58524 -46.7547 3.55945 57.8121 4.58503 57.8112 291.094 GPRESSURE: 3575400 1.65404 -146.016 -16.3042 -10.6002 26.3957 -4.3666 57.2302 70.6624 275.638 PRESSAVG: 3575400 33.3346 7.52448 35.8344 7.52443 -4.2095 -17.6292 35.8344 -17.6293 -8.01073 GPRESSAVG: 3575400 32.2569 7.17526 36.0223 8.51856 -2.84583 -17.348 35.2569 -19.0664 -8.7615 TIMING: 3575400 CPU: 10383.5, 0.002957/step Wall: 10383.5, 0.002957/step, 1.17015 hours remaining, 206.277344 MB of memory in use. ENERGY: 3575400 758.2842 2040.4687 1973.1069 107.1614 -206800.1136 18069.1900 0.0000 0.0000 34192.9823 -149658.9200 298.6158 -183851.9023 -149565.7848 298.3843 66.6444 101.2291 557190.1209 7.0381 6.8832 PRESSURE: 3575600 26.6006 46.6483 8.8711 46.6476 23.4981 29.1266 8.87021 29.1287 -291.437 GPRESSURE: 3575600 45.0621 0.289635 39.4583 58.6141 67.215 6.19509 -12.4932 27.3513 -265.485 PRESSAVG: 3575600 13.8106 -23.9019 -0.241648 -23.9019 -36.8101 41.9812 -0.241685 41.9813 5.88053 GPRESSAVG: 3575600 14.5722 -25.3228 0.63515 -23.3718 -37.8195 42.2794 -0.519176 43.224 5.3002 TIMING: 3575600 CPU: 10384.1, 0.00296839/step Wall: 10384.1, 0.00296839/step, 1.17449 hours remaining, 206.277344 MB of memory in use. ENERGY: 3575600 763.2181 2099.0576 1943.1254 118.5716 -206034.6525 17640.6374 0.0000 0.0000 33754.0404 -149716.0020 294.7824 -183470.0424 -149622.1465 297.8295 -80.4460 -51.0694 559941.7413 -5.7063 -5.9824 PRESSURE: 3575800 -40.7948 -3.51126 -150.645 -3.51143 -14.2001 -188.374 -150.644 -188.376 -132.783 GPRESSURE: 3575800 -15.0146 -12.8276 -126.976 -68.0408 -21.1105 -164.392 -161.375 -172.918 -54.7733 PRESSAVG: 3575800 47.1078 27.9016 -36.7691 27.9016 -0.547177 43.6686 -36.769 43.6687 -27.4008 GPRESSAVG: 3575800 47.7519 28.177 -36.0513 27.4085 -0.0750938 45.0465 -36.383 41.3788 -28.3974 TIMING: 3575800 CPU: 10384.7, 0.00297358/step Wall: 10384.7, 0.00297358/step, 1.17638 hours remaining, 206.277344 MB of memory in use. ENERGY: 3575800 735.0354 2064.7939 1932.4804 102.0484 -206229.2578 17752.6220 0.0000 0.0000 34059.5911 -149582.6866 297.4509 -183642.2776 -149474.1208 298.2193 -62.5926 -30.2995 558500.8811 6.3866 6.4265 PRESSURE: 3576000 -154.649 43.5852 -33.8103 43.5861 -69.9095 -307.574 -33.8107 -307.574 212.268 GPRESSURE: 3576000 -116.063 14.4059 32.8248 119.624 -102.581 -202.692 -26.7129 -357.863 300.766 PRESSAVG: 3576000 0.77724 22.6642 9.98448 22.6641 -37.7793 -19.4432 9.98442 -19.4432 50.6751 GPRESSAVG: 3576000 -0.505138 24.1228 9.30772 23.8779 -38.2176 -18.0855 10.3552 -17.9001 53.1456 TIMING: 3576000 CPU: 10385.3, 0.00297304/step Wall: 10385.3, 0.00297304/step, 1.176 hours remaining, 206.277344 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: 3576000 705.3702 2069.8219 1954.6728 114.0350 -206679.9316 17907.0001 0.0000 0.0000 34242.8034 -149686.2282 299.0509 -183929.0316 -149586.4328 297.9418 -4.0968 27.3742 557742.3635 4.5577 4.8076 PRESSURE: 3576200 -188.906 60.9051 59.2814 60.9046 -120.909 116.955 59.2823 116.954 96.2447 GPRESSURE: 3576200 -177.927 52.254 201.057 128.042 -105.343 52.9745 -27.3566 133.374 159.187 PRESSAVG: 3576200 7.08426 -50.6715 21.4662 -50.6716 21.8973 -15.5368 21.4662 -15.5369 33.9635 GPRESSAVG: 3576200 8.57764 -51.2876 20.7917 -50.7078 22.021 -18.0105 21.782 -15.7453 32.7307 TIMING: 3576200 CPU: 10385.9, 0.00292945/step Wall: 10385.9, 0.00292945/step, 1.1586 hours remaining, 206.277344 MB of memory in use. ENERGY: 3576200 756.3569 2035.2795 1966.4178 108.6799 -206563.0838 17830.9240 0.0000 0.0000 34194.6024 -149670.8234 298.6300 -183865.4257 -149573.8804 297.8271 -71.1901 -41.3609 557736.0291 20.9817 21.1098 LDB: ============= START OF LOAD BALANCING ============== 10389.3 LDB: ============== END OF LOAD BALANCING =============== 10389.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10389.3 LDB: ============= START OF LOAD BALANCING ============== 10389.6 LDB: Largest compute 4820 load 0.033695 is 28.6% of average load 0.117915 LDB: Average compute 0.001733 is 1.5% of average load 0.117915 LDB: TIME 10389.6 LOAD: AVG 0.117915 MAX 0.179903 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 10389.6 LOAD: AVG 0.117915 MAX 0.179903 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: TIME 10389.6 LOAD: AVG 0.117915 MAX 0.179903 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: ============== END OF LOAD BALANCING =============== 10389.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10389.6 PRESSURE: 3576400 -309.298 -102.748 134.824 -102.748 -82.2384 -102.026 134.823 -102.027 -308.813 GPRESSURE: 3576400 -280.544 -51.4604 201.027 -129.107 -112.325 -42.4994 141.583 -69.1051 -219.639 PRESSAVG: 3576400 -37.0913 -14.4393 20.1355 -14.4393 9.16986 -21.5966 20.1354 -21.5966 74.111 GPRESSAVG: 3576400 -37.3748 -13.7854 22.0299 -16.2994 8.62817 -21.4782 20.1819 -22.8546 74.7174 TIMING: 3576400 CPU: 10386.5, 0.00299067/step Wall: 10386.5, 0.00299067/step, 1.18264 hours remaining, 206.074219 MB of memory in use. ENERGY: 3576400 761.0222 2096.5492 1972.4169 106.6673 -205941.5728 17527.2358 0.0000 0.0000 34129.5317 -149348.1498 298.0617 -183477.6814 -149259.4319 298.0680 -233.4497 -204.1695 558207.8904 15.3965 15.3236 PRESSURE: 3576600 -227.774 -103.604 -59.0012 -103.603 -88.5629 -39.0045 -59.0024 -39.0047 48.1301 GPRESSURE: 3576600 -185.907 -66.7315 42.291 -107.938 -57.6092 33.0747 -102.921 -178.017 64.099 PRESSAVG: 3576600 -74.4353 16.2226 86.9671 16.2225 33.7683 -21.1324 86.9671 -21.1323 18.6447 GPRESSAVG: 3576600 -75.1105 15.1089 85.9966 16.5479 34.4747 -21.991 85.9125 -19.4978 18.7893 TIMING: 3576600 CPU: 10387.1, 0.00295912/step Wall: 10387.1, 0.00295912/step, 1.17 hours remaining, 206.074219 MB of memory in use. ENERGY: 3576600 770.2068 2115.4174 1964.4500 114.7652 -206360.1862 17885.9199 0.0000 0.0000 34250.1916 -149259.2354 299.1154 -183509.4270 -149160.6013 298.3509 -89.4023 -59.8058 559187.5415 -7.3407 -7.2821 PRESSURE: 3576800 47.4407 -44.0544 57.3257 -44.0554 -146.324 -105.131 57.3252 -105.131 83.3224 GPRESSURE: 3576800 100.431 64.2133 109.125 -11.7207 -142.886 -81.5821 34.7849 -206.281 126.01 PRESSAVG: 3576800 -31.1263 -19.6027 -3.49342 -19.6027 -17.054 -43.2045 -3.49347 -43.2045 43.6017 GPRESSAVG: 3576800 -31.1494 -18.2122 -4.6948 -18.5995 -18.1345 -40.7308 -0.841566 -43.1317 44.3464 TIMING: 3576800 CPU: 10387.6, 0.00295318/step Wall: 10387.6, 0.00295318/step, 1.16749 hours remaining, 206.074219 MB of memory in use. ENERGY: 3576800 743.2270 2076.6055 1967.1110 108.1829 -206430.6766 17872.6481 0.0000 0.0000 34340.9217 -149321.9805 299.9078 -183662.9022 -149223.0034 299.7376 -5.1869 27.8519 556632.8806 -1.5262 -1.6458 PRESSURE: 3577000 70.2015 -65.0439 151.195 -65.0435 -172.406 -104.531 151.195 -104.53 -2.01176 GPRESSURE: 3577000 104.924 -105.731 110.043 9.68242 -160.594 -3.12296 158.658 -166.088 56.8341 PRESSAVG: 3577000 -23.7998 17.6348 55.0891 17.6349 14.4618 -3.69734 55.0892 -3.69739 -28.9281 GPRESSAVG: 3577000 -23.9555 17.2336 56.1457 19.3099 14.5518 -5.61469 53.8223 -4.5778 -28.8158 TIMING: 3577000 CPU: 10388.2, 0.00290749/step Wall: 10388.2, 0.00290749/step, 1.14927 hours remaining, 206.074219 MB of memory in use. ENERGY: 3577000 743.6687 2083.1979 1970.4687 112.6446 -205973.6648 17745.0595 0.0000 0.0000 34232.9636 -149085.6618 298.9650 -183318.6254 -148986.5223 299.1795 -34.7387 0.3878 557031.0005 -12.7554 -12.7398 PRESSURE: 3577200 96.2325 -7.2 -14.5579 -7.19975 -29.6426 -1.22832 -14.558 -1.22745 -28.9037 GPRESSURE: 3577200 140.411 -14.6244 8.97825 4.46262 2.47292 80.0321 39.4688 -7.77599 -18.3735 PRESSAVG: 3577200 50.6635 -33.0659 25.9056 -33.0658 -3.17999 -13.9309 25.9056 -13.931 14.2107 GPRESSAVG: 3577200 51.6105 -34.1346 26.7383 -35.9371 -2.32695 -13.0544 25.9801 -13.1855 13.3434 TIMING: 3577200 CPU: 10388.8, 0.0029544/step Wall: 10388.8, 0.0029544/step, 1.16765 hours remaining, 206.074219 MB of memory in use. ENERGY: 3577200 746.6482 2133.5205 1972.1255 107.3121 -205895.8116 17639.9567 0.0000 0.0000 34277.2078 -149019.0408 299.3514 -183296.2486 -148922.6426 299.8096 12.5621 41.5035 556729.9767 20.5647 20.8756 PRESSURE: 3577400 191.614 -9.99329 -62.6907 -9.99378 14.4004 152.852 -62.6906 152.853 -254.974 GPRESSURE: 3577400 257.526 -10.7935 33.0201 13.0892 51.8739 55.7902 -106.371 156.257 -259.357 PRESSAVG: 3577400 95.7936 -2.13515 6.29382 -2.1352 -8.36753 -18.8188 6.29395 -18.8189 -102.405 GPRESSAVG: 3577400 94.7906 -0.483991 5.49621 -0.341339 -7.73409 -18.4802 5.37029 -17.9591 -102.259 TIMING: 3577400 CPU: 10389.4, 0.00293233/step Wall: 10389.4, 0.00293233/step, 1.15876 hours remaining, 206.074219 MB of memory in use. ENERGY: 3577400 733.5648 2110.9977 1968.5819 107.6566 -206029.8186 17669.9270 0.0000 0.0000 34368.8199 -149070.2707 300.1515 -183439.0906 -148979.6100 299.1990 -16.3200 16.6809 558137.7917 -4.9930 -5.0676 PRESSURE: 3577600 -1.73737 -30.5503 -151.197 -30.552 157.042 -77.9807 -151.198 -77.98 171.188 GPRESSURE: 3577600 58.6666 55.591 -136.921 -116.282 186.855 -130.556 -162.035 -86.7585 177.377 PRESSAVG: 3577600 42.6818 5.02065 -27.9507 5.0206 6.34827 18.4303 -27.9508 18.4302 -26.8439 GPRESSAVG: 3577600 43.7934 4.56585 -31.0226 4.18505 5.38541 16.8866 -27.0743 17.1265 -26.6113 TIMING: 3577600 CPU: 10390, 0.00291947/step Wall: 10390, 0.00291947/step, 1.15351 hours remaining, 206.074219 MB of memory in use. ENERGY: 3577600 723.3649 2080.8703 1971.2040 119.8535 -206294.6069 17962.9602 0.0000 0.0000 34331.6377 -149104.7165 299.8267 -183436.3541 -149013.3419 299.3457 108.8307 140.9664 556918.6895 7.3954 7.5225 PRESSURE: 3577800 -42.45 -167.724 -31.7593 -167.723 158.861 148.726 -31.759 148.724 59.1157 GPRESSURE: 3577800 65.0414 -127.512 -51.6018 -136.392 153.931 165.962 -52.8151 63.8832 56.9104 PRESSAVG: 3577800 19.8819 24.9859 0.882559 24.9859 28.2713 1.68631 0.882575 1.68633 -26.2078 GPRESSAVG: 3577800 19.725 25.0348 3.77082 24.9033 28.1163 1.72714 2.28659 3.46376 -25.5832 TIMING: 3577800 CPU: 10390.6, 0.00292756/step Wall: 10390.6, 0.00292756/step, 1.15655 hours remaining, 206.074219 MB of memory in use. ENERGY: 3577800 752.2866 2028.0234 1985.5411 111.2097 -205997.6642 17972.4683 0.0000 0.0000 34123.9735 -149024.1615 298.0131 -183148.1350 -148929.1785 299.6782 58.5089 91.9608 557967.8173 7.3152 7.4194 PRESSURE: 3578000 -203.097 -120.656 64.607 -120.655 98.299 -106.058 64.6074 -106.058 -19.0181 GPRESSURE: 3578000 -127.561 -109.296 -32.22 -34.1904 94.5197 -40.858 52.0517 -112.6 2.83468 PRESSAVG: 3578000 -3.86666 38.6573 6.49026 38.6573 -36.8031 -9.36651 6.49017 -9.36667 34.9115 GPRESSAVG: 3578000 -3.85652 37.7904 6.44166 38.3297 -36.8029 -10.2896 3.19844 -9.26885 34.5307 TIMING: 3578000 CPU: 10391.2, 0.00294293/step Wall: 10391.2, 0.00294293/step, 1.16246 hours remaining, 206.074219 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: 3578000 696.0889 2065.8198 1970.7608 116.4323 -205729.9984 17669.6425 0.0000 0.0000 34356.2918 -148854.9622 300.0420 -183211.2540 -148764.9894 300.2173 -41.2719 -10.0688 557227.8727 -1.9194 -2.0429 PRESSURE: 3578200 113.46 14.318 -45.615 14.3193 131.717 -123.822 -45.6151 -123.82 151.788 GPRESSURE: 3578200 111.734 3.4471 -115.38 -39.9968 147.023 -39.2851 16.9689 -159.515 235.682 PRESSAVG: 3578200 9.0538 21.7986 15.323 21.7986 19.3168 -31.9942 15.3229 -31.9943 -37.6534 GPRESSAVG: 3578200 8.7675 22.6425 16.7878 22.4469 19.2256 -30.6497 15.1606 -32.6901 -37.5222 TIMING: 3578200 CPU: 10391.8, 0.00293392/step Wall: 10391.8, 0.00293392/step, 1.15874 hours remaining, 206.074219 MB of memory in use. ENERGY: 3578200 723.2422 2054.1960 1965.6917 122.8206 -205934.8254 18040.1857 0.0000 0.0000 34218.0973 -148810.5920 298.8352 -183028.6892 -148712.5546 299.9649 132.3214 164.8131 558496.3433 -3.0943 -3.1764 PRESSURE: 3578400 -112.941 -112.257 55.2581 -112.256 -27.0285 34.2779 55.2586 34.2793 -149.463 GPRESSURE: 3578400 -141.164 -131.745 22.7873 -137.652 20.6145 42.207 76.8709 7.25291 -67.202 PRESSAVG: 3578400 -5.80408 79.8233 -31.0585 79.8232 -47.4724 -41.1183 -31.0586 -41.1183 44.6954 GPRESSAVG: 3578400 -5.54614 78.4267 -34.7922 79.3722 -47.3589 -39.5425 -28.5043 -43.5733 44.5674 TIMING: 3578400 CPU: 10392.3, 0.00290768/step Wall: 10392.3, 0.00290768/step, 1.14821 hours remaining, 206.074219 MB of memory in use. ENERGY: 3578400 736.7055 2108.7128 1962.4164 124.0925 -205828.9520 17634.9518 0.0000 0.0000 34444.8467 -148817.2263 300.8154 -183262.0730 -148715.7729 299.1777 -96.4776 -62.5838 560308.1141 -2.8604 -2.7792 PRESSURE: 3578600 79.4889 23.4682 3.33461 23.4677 -144.256 169.827 3.33541 169.829 -53.7111 GPRESSURE: 3578600 150.386 81.4867 94.8447 7.70425 -162.126 217.068 -100.011 164.437 -19.2606 PRESSAVG: 3578600 -43.8595 -12.0843 -79.5445 -12.0844 47.3028 -59.1607 -79.5444 -59.1607 -23.2456 GPRESSAVG: 3578600 -44.5597 -9.87347 -77.3943 -13.0957 47.3364 -59.9139 -80.65 -55.2541 -22.3374 TIMING: 3578600 CPU: 10392.9, 0.00292109/step Wall: 10392.9, 0.00292109/step, 1.15334 hours remaining, 206.277344 MB of memory in use. ENERGY: 3578600 771.9007 2099.0531 1967.2085 96.9208 -206172.1010 18051.9252 0.0000 0.0000 34189.8205 -148995.2724 298.5882 -183185.0928 -148905.6882 299.3132 -39.4928 -10.3334 560604.6179 -6.6008 -6.5202 PRESSURE: 3578800 148.071 39.0968 -48.7543 39.0966 52.1986 -26.0436 -48.7534 -26.0432 -140.992 GPRESSURE: 3578800 179.03 43.3303 15.8599 -1.29458 44.5826 -34.6127 -98.0472 -92.4715 -53.9461 PRESSAVG: 3578800 4.09336 34.9297 -27.3679 34.9297 12.9419 18.2547 -27.3678 18.2548 0.0122815 GPRESSAVG: 3578800 5.47699 32.853 -27.8437 37.6365 12.9893 21.0147 -26.6099 15.7623 -1.54069 TIMING: 3578800 CPU: 10393.5, 0.00293487/step Wall: 10393.5, 0.00293487/step, 1.15862 hours remaining, 206.277344 MB of memory in use. ENERGY: 3578800 740.6885 2085.6263 1933.6931 103.1298 -206138.0022 17893.5035 0.0000 0.0000 34408.9448 -148972.4161 300.5019 -183381.3609 -148881.1995 299.5581 19.7593 56.5555 560429.4812 5.6825 5.6419 PRESSURE: 3579000 55.3178 -116.807 101.682 -116.807 -160.475 -26.1319 101.682 -26.1312 -79.9666 GPRESSURE: 3579000 63.156 -42.9333 115.476 -111.498 -155.838 -13.2156 124.244 -70.7389 0.953656 PRESSAVG: 3579000 -42.4751 -50.1675 15.9986 -50.1674 -5.79697 -7.19614 15.9987 -7.19612 30.0036 GPRESSAVG: 3579000 -42.5555 -49.0105 17.1277 -50.9863 -5.90543 -9.98114 16.1821 -4.41789 29.729 TIMING: 3579000 CPU: 10394.1, 0.00294922/step Wall: 10394.1, 0.00294922/step, 1.16412 hours remaining, 206.277344 MB of memory in use. ENERGY: 3579000 723.8634 2096.8084 1930.9559 121.6986 -205684.0075 17604.8413 0.0000 0.0000 34331.3370 -148874.5030 299.8241 -183205.8400 -148778.7251 300.7020 -61.7079 -30.5762 559236.2506 -6.0895 -6.2440 PRESSURE: 3579200 -68.1462 -50.0267 -0.524413 -50.0257 103.27 -33.9307 -0.524207 -33.9314 -175.608 GPRESSURE: 3579200 -53.961 8.90947 25.9898 11.8378 153.455 -8.32867 -13.0302 8.54204 -142.856 PRESSAVG: 3579200 6.63368 -11.1729 13.4448 -11.1729 44.9648 -23.6361 13.4447 -23.636 16.7491 GPRESSAVG: 3579200 5.81767 -10.6516 12.9469 -11.2912 45.5861 -22.4765 12.219 -25.0127 17.3558 TIMING: 3579200 CPU: 10394.7, 0.00294101/step Wall: 10394.7, 0.00294101/step, 1.16072 hours remaining, 206.277344 MB of memory in use. ENERGY: 3579200 720.1748 2081.4914 1932.8293 91.4906 -205872.9837 17854.5199 0.0000 0.0000 34169.9741 -149022.5038 298.4149 -183192.4779 -148929.9364 299.8290 -46.8280 -14.4541 559743.7412 22.7825 22.9199 PRESSURE: 3579400 16.1447 141.093 -22.4688 141.094 -230.353 64.0109 -22.4681 64.0119 135.518 GPRESSURE: 3579400 51.904 136.948 31.1746 182.979 -130.775 81.7943 -53.0533 23.7098 97.9991 PRESSAVG: 3579400 29.477 3.35467 -30.0269 3.35463 -4.20307 42.6727 -30.0269 42.6727 -45.8545 GPRESSAVG: 3579400 30.2872 3.06592 -28.0727 2.66505 -3.42306 43.8091 -29.6804 42.4809 -46.9997 TIMING: 3579400 CPU: 10395.3, 0.00292965/step Wall: 10395.3, 0.00292965/step, 1.15607 hours remaining, 206.277344 MB of memory in use. ENERGY: 3579400 731.6313 2079.3342 1956.3449 101.8790 -205779.6234 17704.0740 0.0000 0.0000 34269.4715 -148936.8885 299.2838 -183206.3600 -148834.6940 299.2954 -26.2301 6.3761 559359.2815 -6.8602 -6.7119 PRESSURE: 3579600 -235.222 132.774 -106.348 132.775 2.01891 131.996 -106.347 131.997 259.322 GPRESSURE: 3579600 -183.639 68.3272 -140.208 200.06 18.9403 74.7424 -8.31411 155.771 293.91 PRESSAVG: 3579600 -14.002 -30.8332 -14.1644 -30.8332 -42.78 -45.4081 -14.1644 -45.4081 63.5278 GPRESSAVG: 3579600 -15.3805 -31.6033 -15.725 -30.2099 -42.6724 -46.4665 -14.3685 -45.7248 64.8764 TIMING: 3579600 CPU: 10395.9, 0.00293953/step Wall: 10395.9, 0.00293953/step, 1.15981 hours remaining, 206.277344 MB of memory in use. ENERGY: 3579600 712.4766 2085.2742 1961.4035 117.0180 -206051.2841 17942.2321 0.0000 0.0000 34152.4509 -149080.4289 298.2618 -183232.8798 -148994.4754 299.7347 8.7062 43.0707 559764.5008 2.2486 2.2745 PRESSURE: 3579800 41.9866 -33.7377 14.9909 -33.7384 170.689 -61.516 14.9897 -61.5163 62.5955 GPRESSURE: 3579800 14.339 -65.7205 71.8111 -20.0309 197.544 -27.7175 -29.4483 -68.7266 165.261 PRESSAVG: 3579800 11.5436 -4.7841 -34.367 -4.78409 23.0612 18.9282 -34.3669 18.9282 -11.035 GPRESSAVG: 3579800 12.0006 -4.21189 -34.9777 -4.65512 23.3735 18.5788 -34.5534 16.2613 -11.5127 TIMING: 3579800 CPU: 10396.4, 0.0029292/step Wall: 10396.4, 0.0029292/step, 1.15557 hours remaining, 206.277344 MB of memory in use. ENERGY: 3579800 699.5034 2055.0573 1966.3159 106.2444 -206167.8432 17824.5347 0.0000 0.0000 34141.7099 -149374.4777 298.1680 -183516.1876 -149279.9719 299.2481 91.7570 125.7145 556581.8517 7.8566 7.9538 PRESSURE: 3580000 -103.621 -38.4374 -121.794 -38.4388 10.8145 119.649 -121.795 119.648 -56.9902 GPRESSURE: 3580000 -107.292 -4.17105 -170.901 -137.157 101.517 66.2702 -41.8898 133.786 -44.0462 PRESSAVG: 3580000 16.6374 42.593 -61.0484 42.5929 45.2924 -7.0589 -61.0484 -7.05883 -42.1466 GPRESSAVG: 3580000 16.4922 42.6954 -62.506 40.929 45.0085 -8.07278 -59.9176 -3.01886 -42.0758 TIMING: 3580000 CPU: 10397, 0.00291421/step Wall: 10397, 0.00291421/step, 1.14949 hours remaining, 206.277344 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: 3580000 751.5692 2073.7179 1934.3342 119.2297 -206223.9336 17714.9612 0.0000 0.0000 34331.4645 -149298.6569 299.8252 -183630.1214 -149198.7883 298.6739 -49.9323 -16.6073 557516.3813 6.5944 6.4749 PRESSURE: 3580200 185.395 6.75145 -58.7073 6.75388 48.0462 -102.31 -58.7074 -102.31 149.664 GPRESSURE: 3580200 222.549 32.9986 -62.1245 8.22474 135.634 -157.365 -82.0188 -49.6779 123.947 PRESSAVG: 3580200 49.3429 -7.06776 -58.6839 -7.06787 53.0979 -13.0918 -58.684 -13.0916 -97.1681 GPRESSAVG: 3580200 49.5721 -6.93967 -57.1982 -6.57873 53.5 -11.9919 -59.0651 -15.3978 -98.2478 TIMING: 3580200 CPU: 10397.6, 0.0028961/step Wall: 10397.6, 0.0028961/step, 1.14219 hours remaining, 206.277344 MB of memory in use. ENERGY: 3580200 784.4588 2089.0239 1946.8696 115.1327 -206478.9281 18057.9258 0.0000 0.0000 34196.9929 -149288.5244 298.6508 -183485.5172 -149199.3575 299.1460 127.7016 160.7100 556877.1522 1.7576 1.6081 LDB: ============= START OF LOAD BALANCING ============== 10401.1 LDB: ============== END OF LOAD BALANCING =============== 10401.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10401.1 LDB: ============= START OF LOAD BALANCING ============== 10401.4 LDB: Largest compute 4820 load 0.033434 is 28.4% of average load 0.117752 LDB: Average compute 0.001727 is 1.5% of average load 0.117752 LDB: TIME 10401.4 LOAD: AVG 0.117752 MAX 0.180319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 10401.4 LOAD: AVG 0.117752 MAX 0.180319 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 10401.4 LOAD: AVG 0.117752 MAX 0.180319 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 10401.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10401.4 PRESSURE: 3580400 166.066 41.5311 54.5914 41.5302 -36.6341 -47.22 54.5903 -47.2188 309.113 GPRESSURE: 3580400 174.622 104.299 69.1193 50.3767 49.719 -87.6206 23.6531 51.2857 316.717 PRESSAVG: 3580400 39.8194 2.87754 -34.5759 2.87756 45.4389 -11.0841 -34.5758 -11.084 -43.4636 GPRESSAVG: 3580400 39.4742 2.62624 -34.3525 4.89668 45.9616 -9.80908 -35.6905 -9.2162 -42.9306 TIMING: 3580400 CPU: 10398.2, 0.00297949/step Wall: 10398.2, 0.00297949/step, 1.17491 hours remaining, 206.792969 MB of memory in use. ENERGY: 3580400 757.9037 2084.8720 1958.2776 113.1113 -206471.1928 18097.1171 0.0000 0.0000 34204.5342 -149255.3769 298.7167 -183459.9111 -149160.8268 298.4124 146.1818 180.3524 555498.0126 13.9316 14.1684 PRESSURE: 3580600 89.7279 -82.3098 -98.2465 -82.3095 181.154 -55.3622 -98.2459 -55.3602 216.494 GPRESSURE: 3580600 169.887 -120.542 -142.868 -110.914 175.569 16.634 -63.2002 -15.2899 241.71 PRESSAVG: 3580600 53.0511 -65.1471 -8.77137 -65.1471 9.8697 -80.4362 -8.77137 -80.4363 -24.4075 GPRESSAVG: 3580600 53.2504 -65.2981 -10.1719 -67.0258 8.69679 -80.6185 -7.35858 -79.3969 -24.1886 TIMING: 3580600 CPU: 10398.8, 0.00294937/step Wall: 10398.8, 0.00294937/step, 1.16287 hours remaining, 206.792969 MB of memory in use. ENERGY: 3580600 700.2063 2035.9222 1968.2956 119.0061 -206572.0076 18108.7171 0.0000 0.0000 34354.3946 -149285.4656 300.0255 -183639.8602 -149189.6630 298.3938 162.4588 195.7219 557449.9308 12.8378 12.5862 PRESSURE: 3580800 -34.3698 -53.049 67.1719 -53.0491 -28.6434 27.819 67.1719 27.8182 346.537 GPRESSURE: 3580800 0.0312125 1.85157 131.079 -114.761 55.4337 51.9067 83.4954 34.3751 323.877 PRESSAVG: 3580800 -27.0711 -48.7482 -64.69 -48.7481 -26.9183 31.9692 -64.6901 31.9692 58.2648 GPRESSAVG: 3580800 -27.5688 -49.2255 -65.036 -50.0984 -26.8809 32.4672 -63.7105 29.6332 58.9946 TIMING: 3580800 CPU: 10399.4, 0.00295401/step Wall: 10399.4, 0.00295401/step, 1.16454 hours remaining, 206.792969 MB of memory in use. ENERGY: 3580800 717.7763 2092.0373 1933.1983 120.2170 -206274.0336 17876.0154 0.0000 0.0000 34253.1436 -149281.6457 299.1412 -183534.7893 -149180.9200 299.0949 94.5079 126.4474 557273.9593 1.4252 1.5150 PRESSURE: 3581000 -237.925 -54.6597 20.5575 -54.6604 -274.121 -5.35972 20.5576 -5.35987 27.7342 GPRESSURE: 3581000 -189.851 -170.305 95.2296 -42.3564 -212.337 46.7635 -15.5976 -46.4942 12.8904 PRESSAVG: 3581000 29.5374 -6.96458 63.7822 -6.96456 17.6968 -38.0626 63.7822 -38.0625 2.59316 GPRESSAVG: 3581000 30.3778 -6.6912 64.3889 -6.45709 17.9176 -38.4409 62.6256 -38.0476 1.27326 TIMING: 3581000 CPU: 10400, 0.00293061/step Wall: 10400, 0.00293061/step, 1.15515 hours remaining, 206.968750 MB of memory in use. ENERGY: 3581000 745.3401 2050.2496 1952.8682 120.5750 -205814.1224 17534.5908 0.0000 0.0000 34093.1839 -149317.3148 297.7443 -183410.4987 -149216.1716 299.3480 -161.4374 -129.7659 558465.0538 16.6091 16.5229 PRESSURE: 3581200 -232.996 -233.626 -80.658 -233.625 24.9166 105.495 -80.6587 105.495 -229.252 GPRESSURE: 3581200 -190.846 -180.022 -52.9128 -169.007 67.8182 51.5935 -62.3911 202.553 -211.63 PRESSAVG: 3581200 -68.6265 -46.0382 70.214 -46.0382 83.6181 -9.02977 70.214 -9.02987 -17.7034 GPRESSAVG: 3581200 -69.1178 -46.7081 73.1366 -45.3531 84.4763 -8.57904 68.3322 -8.23596 -18.0065 TIMING: 3581200 CPU: 10400.6, 0.00295798/step Wall: 10400.6, 0.00295798/step, 1.16577 hours remaining, 206.968750 MB of memory in use. ENERGY: 3581200 731.0089 2099.1753 1971.0156 120.3695 -205780.6752 17601.5674 0.0000 0.0000 34117.6455 -149139.8930 297.9579 -183257.5385 -149047.3660 298.7140 -145.7773 -111.5526 559165.7717 -0.9040 -0.8827 PRESSURE: 3581400 -157.006 -147.863 104.273 -147.863 81.6998 -23.0914 104.273 -23.091 -106.499 GPRESSURE: 3581400 -82.1096 -163.504 87.4392 -119.348 22.846 38.9641 110.098 -70.3421 -13.6462 PRESSAVG: 3581400 -11.7567 -30.0905 33.6188 -30.0905 23.4611 70.1566 33.6188 70.1567 -12.0065 GPRESSAVG: 3581400 -12.2521 -30.9025 33.081 -29.2156 22.3795 69.5899 35.6304 69.3921 -10.5108 TIMING: 3581400 CPU: 10401.1, 0.00296193/step Wall: 10401.1, 0.00296193/step, 1.16716 hours remaining, 206.968750 MB of memory in use. ENERGY: 3581400 779.2314 2096.9077 1948.7510 113.8545 -206014.9892 17854.9981 0.0000 0.0000 34115.5184 -149105.7281 297.9393 -183221.2465 -149015.7323 298.7666 -60.6018 -24.3033 558896.0363 -0.1007 -0.1278 PRESSURE: 3581600 35.1595 26.51 151.63 26.5114 -114.527 -18.7623 151.629 -18.7609 32.8194 GPRESSURE: 3581600 93.5484 31.2958 147.939 28.5233 -51.0126 5.99592 51.5166 29.4871 -1.89141 PRESSAVG: 3581600 46.9551 -52.8587 25.4464 -52.8587 -37.6664 -21.6893 25.4463 -21.6894 5.78312 GPRESSAVG: 3581600 48.4118 -50.9847 24.5576 -54.2727 -37.5024 -21.7155 24.0988 -21.151 4.41096 TIMING: 3581600 CPU: 10401.7, 0.0029449/step Wall: 10401.7, 0.0029449/step, 1.16029 hours remaining, 206.968750 MB of memory in use. ENERGY: 3581600 726.0518 2103.9485 1955.5231 117.4861 -205906.2885 17715.6137 0.0000 0.0000 34081.5155 -149206.1499 297.6424 -183287.6653 -149104.1957 299.2433 -15.5161 13.5481 558304.8150 5.0239 5.1068 PRESSURE: 3581800 -133.28 -10.7375 -0.350436 -10.7381 167.255 7.19283 -0.349739 7.19278 -14.9459 GPRESSURE: 3581800 -64.6174 58.6279 -123.924 16.9772 177.526 3.57661 -1.06463 -30.0365 11.6433 PRESSAVG: 3581800 -37.0837 12.5602 -30.8416 12.5603 -17.8676 -7.15874 -30.8417 -7.15875 10.5271 GPRESSAVG: 3581800 -37.5696 10.8874 -31.795 12.7626 -18.2207 -8.13407 -30.1981 -4.91042 11.4382 TIMING: 3581800 CPU: 10402.3, 0.00296983/step Wall: 10402.3, 0.00296983/step, 1.16995 hours remaining, 206.968750 MB of memory in use. ENERGY: 3581800 725.0690 2082.9450 1944.0960 123.3707 -206291.2570 17946.9149 0.0000 0.0000 34400.6504 -149068.2110 300.4294 -183468.8614 -148974.1618 299.3463 6.3432 41.5173 558192.7189 -14.8081 -14.7840 PRESSURE: 3582000 111.03 110.236 50.529 110.236 -167.667 -19.9377 50.5287 -19.9387 -153.714 GPRESSURE: 3582000 66.763 186.417 166.237 47.2103 -50.5388 36.3922 10.462 25.0323 -127.649 PRESSAVG: 3582000 -33.9623 1.24908 31.0912 1.24907 1.23302 -28.7131 31.0912 -28.7132 28.8453 GPRESSAVG: 3582000 -34.8328 1.06864 31.2843 1.42912 2.39104 -28.676 30.0242 -28.6624 28.5887 TIMING: 3582000 CPU: 10402.9, 0.00296469/step Wall: 10402.9, 0.00296469/step, 1.16776 hours remaining, 206.968750 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: 3582000 748.7517 2071.5188 1958.2978 113.3419 -205673.2596 17665.3373 0.0000 0.0000 34090.1540 -149025.8581 297.7178 -183116.0121 -148930.7699 299.0196 -70.1167 -37.1415 559809.4530 -1.2947 -1.2843 PRESSURE: 3582200 211.315 -69.3081 85.588 -69.3079 90.7943 36.7423 85.5879 36.743 270.529 GPRESSURE: 3582200 258.258 -127.343 73.1483 -42.7989 112.128 57.75 19.6212 83.8931 287.112 PRESSAVG: 3582200 55.4866 20.8664 -1.42586 20.8664 56.5352 -26.504 -1.42573 -26.5039 -61.1853 GPRESSAVG: 3582200 55.9399 20.0047 -2.12019 22.3901 55.2959 -25.8868 -0.562538 -27.5985 -60.8144 TIMING: 3582200 CPU: 10403.5, 0.00294704/step Wall: 10403.5, 0.00294704/step, 1.16064 hours remaining, 206.968750 MB of memory in use. ENERGY: 3582200 714.0920 2106.8632 1982.2199 113.2776 -206467.5225 18144.5254 0.0000 0.0000 34393.3971 -149013.1475 300.3661 -183406.5446 -148914.9639 299.8817 190.8796 219.1658 558593.2926 16.9455 16.8071 PRESSURE: 3582400 197.949 220.709 32.8172 220.708 -247.611 2.48636 32.8169 2.48635 -144.922 GPRESSURE: 3582400 283.218 223.462 -47.8662 185.489 -236.186 -68.8744 -16.4658 46.4282 -133.397 PRESSAVG: 3582400 41.0998 28.3889 -53.4261 28.3889 -11.3864 -39.7033 -53.426 -39.7033 -65.8083 GPRESSAVG: 3582400 41.3192 29.4002 -52.6755 28.2542 -11.0507 -38.7728 -53.943 -41.0672 -66.4435 TIMING: 3582400 CPU: 10404.1, 0.00297044/step Wall: 10404.1, 0.00297044/step, 1.16969 hours remaining, 206.968750 MB of memory in use. ENERGY: 3582400 752.6125 2091.5419 1948.6434 117.2666 -205831.3551 17649.7586 0.0000 0.0000 34298.9005 -148972.6315 299.5408 -183271.5320 -148870.8507 299.1226 -64.8614 -28.7882 559671.2171 -12.0316 -12.0583 PRESSURE: 3582600 123.972 64.416 -173.364 64.4174 9.17503 192.588 -173.364 192.587 5.05879 GPRESSURE: 3582600 177.602 76.3605 -211.822 58.5979 83.7053 222.883 -194.884 68.7408 -23.5841 PRESSAVG: 3582600 41.0032 12.911 -70.7053 12.911 10.6555 -14.314 -70.7052 -14.314 -49.5397 GPRESSAVG: 3582600 41.4593 15.0728 -69.2929 12.6917 9.94034 -15.6868 -70.5404 -13.1125 -49.2177 TIMING: 3582600 CPU: 10404.7, 0.00296949/step Wall: 10404.7, 0.00296949/step, 1.16915 hours remaining, 206.968750 MB of memory in use. ENERGY: 3582600 761.1071 2158.0450 1942.3877 119.1397 -206069.2463 17864.4264 0.0000 0.0000 34353.4010 -148870.7396 300.0168 -183224.1406 -148771.4010 299.5018 46.0687 79.2409 557409.1137 0.7063 0.7273 PRESSURE: 3582800 176.454 72.4899 140.267 72.4899 18.5811 7.17057 140.268 7.17126 213 GPRESSURE: 3582800 195.576 5.89812 146.759 106.396 79.8625 18.6662 71.1765 -5.75788 228.36 PRESSAVG: 3582800 43.7662 23.8829 -72.7895 23.8828 16.8941 9.41135 -72.7896 9.4115 -36.633 GPRESSAVG: 3582800 43.2916 24.499 -75.0582 22.3306 18.0151 9.72658 -71.6065 9.09751 -37.256 TIMING: 3582800 CPU: 10405.3, 0.00297156/step Wall: 10405.3, 0.00297156/step, 1.1698 hours remaining, 206.968750 MB of memory in use. ENERGY: 3582800 761.3861 2113.1036 1963.1328 116.0661 -205901.6520 17892.2735 0.0000 0.0000 34095.6474 -148960.0425 297.7658 -183055.6899 -148861.8509 300.0501 136.0116 167.9328 556631.0517 8.0091 8.0169 PRESSURE: 3583000 37.7048 -57.1916 -43.4752 -57.1922 -223.191 -36.3227 -43.4769 -36.32 -25.2293 GPRESSURE: 3583000 66.9418 -180.549 13.1181 -19.5315 -187.68 96.3187 0.329642 -104.111 0.333581 PRESSAVG: 3583000 -17.0343 -48.9659 -10.3252 -48.9658 9.65679 -34.6195 -10.3252 -34.6196 37.2964 GPRESSAVG: 3583000 -17.2152 -51.7798 -10.7709 -48.0056 10.2717 -33.7433 -9.63684 -35.7194 37.1201 TIMING: 3583000 CPU: 10405.9, 0.00293234/step Wall: 10405.9, 0.00293234/step, 1.1542 hours remaining, 206.968750 MB of memory in use. ENERGY: 3583000 735.5976 2075.8531 1981.1329 128.5314 -205661.5735 17601.6112 0.0000 0.0000 34249.3657 -148889.4817 299.1082 -183138.8474 -148791.8769 299.5966 -70.2384 -40.1348 558972.1527 9.9729 10.0589 PRESSURE: 3583200 22.5559 -69.9455 -39.6366 -69.9445 -49.3195 -87.5601 -39.6359 -87.5608 -222.352 GPRESSURE: 3583200 33.0857 -41.4147 -50.3348 -116.556 -49.7139 -159.91 -97.8048 -75.7005 -125.517 PRESSAVG: 3583200 65.6928 -21.0028 15.2574 -21.0028 -54.9819 -15.5722 15.2575 -15.5723 -38.9193 GPRESSAVG: 3583200 64.7262 -19.4756 15.4478 -20.7568 -54.7564 -18.3999 14.1209 -13.8167 -38.4608 TIMING: 3583200 CPU: 10406.5, 0.00295984/step Wall: 10406.5, 0.00295984/step, 1.16486 hours remaining, 206.968750 MB of memory in use. ENERGY: 3583200 759.7533 2067.0800 1947.5994 113.6331 -205532.1192 17661.6029 0.0000 0.0000 34196.9898 -148785.4608 298.6508 -182982.4506 -148688.9864 300.2422 -83.0386 -47.3817 558579.0431 -9.4028 -9.4970 PRESSURE: 3583400 -102.054 92.0908 -3.1035 92.0905 138.468 -31.1596 -3.10249 -31.1595 215.379 GPRESSURE: 3583400 -75.1305 36.0638 -62.9853 70.1562 193.76 -28.0685 36.9754 54.1821 219.833 PRESSAVG: 3583400 -37.1314 -61.0141 104.6 -61.0142 15.7894 -25.6604 104.6 -25.6605 47.1948 GPRESSAVG: 3583400 -36.31 -62.0427 104.465 -61.7286 15.0425 -21.565 105.296 -28.5924 47.154 TIMING: 3583400 CPU: 10407.1, 0.00294313/step Wall: 10407.1, 0.00294313/step, 1.15812 hours remaining, 206.968750 MB of memory in use. ENERGY: 3583400 710.1316 2134.2934 1930.6071 100.1570 -206182.5908 17929.3570 0.0000 0.0000 34457.9290 -148920.1157 300.9297 -183378.0447 -148818.1550 299.9914 83.9308 112.8209 557659.7515 8.6176 8.6288 PRESSURE: 3583600 24.8999 8.00165 -16.9379 8.00234 -80.7454 -75.3748 -16.9382 -75.3757 -78.4169 GPRESSURE: 3583600 39.5781 15.3347 32.0218 -49.7001 -72.7984 -148.79 -94.4446 -138.291 -10.0114 PRESSAVG: 3583600 -77.0533 13.4111 -1.37551 13.4111 4.7594 -41.6435 -1.37556 -41.6435 31.9874 GPRESSAVG: 3583600 -76.3978 12.1368 -0.880583 13.0546 3.92192 -44.4702 -2.6077 -39.3035 31.6553 TIMING: 3583600 CPU: 10407.7, 0.00293352/step Wall: 10407.7, 0.00293352/step, 1.15418 hours remaining, 206.968750 MB of memory in use. ENERGY: 3583600 738.9652 2098.4397 1958.4932 98.5710 -206243.8347 17931.0850 0.0000 0.0000 34253.6748 -149164.6057 299.1459 -183418.2805 -149068.5044 299.1982 -44.7542 -14.4106 559498.1713 -13.4355 -13.6069 PRESSURE: 3583800 23.6851 11.962 -77.6393 11.9623 84.5717 -205.196 -77.6382 -205.196 -117.533 GPRESSURE: 3583800 3.54474 6.65028 -41.0459 62.3725 104.114 -92.8019 -113.083 -215.998 -22.9709 PRESSAVG: 3583800 28.5352 -2.46584 0.755227 -2.46593 -29.8075 9.19863 0.755163 9.19872 15.1283 GPRESSAVG: 3583800 27.6451 -0.131813 2.5852 -1.59681 -28.749 9.22633 1.20048 10.7436 15.0463 TIMING: 3583800 CPU: 10408.2, 0.00293919/step Wall: 10408.2, 0.00293919/step, 1.15624 hours remaining, 206.968750 MB of memory in use. ENERGY: 3583800 759.2265 2125.3628 1967.7549 103.7241 -206078.6480 17841.1673 0.0000 0.0000 34156.0819 -149125.3305 298.2936 -183281.4124 -149030.8852 298.6699 -3.0920 28.2292 556758.7369 4.6186 4.6475 PRESSURE: 3584000 186.551 4.98051 -92.852 4.98024 -25.861 96.9292 -92.8527 96.9293 -300.454 GPRESSURE: 3584000 156.111 39.353 -92.6366 -20.9729 15.897 64.5764 -121.462 69.9038 -218.183 PRESSAVG: 3584000 10.1773 -8.79455 17.7294 -8.79459 11.412 -49.9515 17.7294 -49.9514 -30.1321 GPRESSAVG: 3584000 9.9632 -8.99153 15.1085 -8.9786 11.2714 -49.1059 17.0513 -52.196 -29.3849 TIMING: 3584000 CPU: 10408.8, 0.0029613/step Wall: 10408.8, 0.0029613/step, 1.16478 hours remaining, 206.968750 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: 3584000 763.0044 2225.4996 1962.7174 109.4357 -206304.0847 17833.2912 0.0000 0.0000 34177.1473 -149232.9891 298.4775 -183410.1364 -149145.1003 299.1086 -46.5881 -15.3918 558380.3519 -2.8476 -2.7167 PRESSURE: 3584200 -7.60332 -160.505 -73.513 -160.503 245.352 -14.6885 -73.5131 -14.6904 -41.2547 GPRESSURE: 3584200 9.68899 -171.079 -97.1083 -162.812 275.307 -17.4192 -91.641 -44.5416 13.6979 PRESSAVG: 3584200 -41.2408 -37.3484 66.9895 -37.3484 -11.2053 -19.4712 66.9896 -19.4713 52.1404 GPRESSAVG: 3584200 -41.1853 -38.8293 67.7843 -35.8081 -10.6172 -19.9049 66.2771 -20.799 51.9938 TIMING: 3584200 CPU: 10409.4, 0.00297224/step Wall: 10409.4, 0.00297224/step, 1.16892 hours remaining, 206.968750 MB of memory in use. ENERGY: 3584200 738.2634 2094.0678 1955.8580 117.4504 -206430.3065 18079.3404 0.0000 0.0000 34333.4736 -149111.8530 299.8428 -183445.3266 -149019.4150 299.7119 65.4981 99.5646 557423.0444 -0.1019 0.0638 LDB: ============= START OF LOAD BALANCING ============== 10412.9 LDB: ============== END OF LOAD BALANCING =============== 10412.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10412.9 LDB: ============= START OF LOAD BALANCING ============== 10413.2 LDB: Largest compute 4820 load 0.033817 is 28.7% of average load 0.117810 LDB: Average compute 0.001733 is 1.5% of average load 0.117810 LDB: TIME 10413.2 LOAD: AVG 0.11781 MAX 0.182864 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 10413.2 LOAD: AVG 0.11781 MAX 0.182864 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: TIME 10413.2 LOAD: AVG 0.11781 MAX 0.182864 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10413.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10413.2 PRESSURE: 3584400 -0.219231 -45.5126 -7.85996 -45.514 -26.4137 -2.95475 -7.85886 -2.95487 -8.91963 GPRESSURE: 3584400 12.6089 -36.4867 -80.2486 -56.3775 34.4315 -12.4719 81.963 -59.5714 5.86651 PRESSAVG: 3584400 41.9411 -41.41 -18.9969 -41.41 -37.8532 -24.7685 -18.9969 -24.7685 -44.4155 GPRESSAVG: 3584400 43.1621 -40.6035 -19.5578 -41.9696 -38.3929 -24.1388 -15.8611 -23.7824 -45.2216 TIMING: 3584400 CPU: 10410, 0.00303111/step Wall: 10410, 0.00303111/step, 1.1919 hours remaining, 208.062500 MB of memory in use. ENERGY: 3584400 715.5484 2128.8261 1958.0789 111.1709 -206075.2736 17773.7771 0.0000 0.0000 34276.1117 -149111.7606 299.3418 -183387.8723 -149008.8678 299.6246 -11.8509 17.6356 559051.8198 -13.4425 -13.4841 PRESSURE: 3584600 1.15578 -52.0006 140.105 -52.0005 -105.331 -90.4227 140.107 -90.4217 170.505 GPRESSURE: 3584600 82.7831 -0.67293 158.073 -68.4279 -110.381 -63.0518 74.3205 -140.899 181.336 PRESSAVG: 3584600 46.0527 45.4909 45.7338 45.491 6.52308 -40.2989 45.7337 -40.2989 -47.5239 GPRESSAVG: 3584600 44.9948 44.7777 45.6354 45.7094 6.94628 -41.465 46.0727 -39.1083 -46.6769 TIMING: 3584600 CPU: 10410.6, 0.00296081/step Wall: 10410.6, 0.00296081/step, 1.16409 hours remaining, 208.062500 MB of memory in use. ENERGY: 3584600 749.3088 2115.2006 1964.7038 108.8762 -206465.6240 17979.6440 0.0000 0.0000 34227.5791 -149320.3114 298.9180 -183547.8905 -149218.5477 298.8194 22.1101 51.2457 557966.3866 1.6840 1.7547 PRESSURE: 3584800 149.64 15.9261 -59.2677 15.9272 -86.1315 167.491 -59.2669 167.492 51.8057 GPRESSURE: 3584800 187.796 27.8919 49.3963 18.8975 -58.0277 119.641 -148.663 200.018 70.9471 PRESSAVG: 3584800 -11.6092 -32.638 -5.56683 -32.638 10.643 -19.2316 -5.56684 -19.2315 -45.2211 GPRESSAVG: 3584800 -10.7942 -31.7901 -5.83275 -34.3101 10.6955 -20.3512 -7.59048 -20.8497 -46.6281 TIMING: 3584800 CPU: 10411.2, 0.00294935/step Wall: 10411.2, 0.00294935/step, 1.15942 hours remaining, 208.062500 MB of memory in use. ENERGY: 3584800 780.2139 2047.5405 1964.3890 113.5660 -206371.5735 17930.6079 0.0000 0.0000 34290.9024 -149244.3536 299.4710 -183535.2561 -149149.2202 298.7991 38.4380 66.9051 557314.1550 -15.3958 -15.5756 PRESSURE: 3585000 29.3924 1.3278 -134.139 1.32715 -34.2824 20.5228 -134.139 20.523 -17.8994 GPRESSURE: 3585000 128.435 -22.3927 -217.133 67.8335 -17.627 -70.2842 -104.541 62.1615 -38.4386 PRESSAVG: 3585000 91.656 49.8574 -8.19797 49.8573 -21.0106 17.8593 -8.198 17.8593 -8.30639 GPRESSAVG: 3585000 91.7721 48.0044 -8.90217 51.1436 -22.9039 16.314 -6.68073 18.4799 -6.93383 TIMING: 3585000 CPU: 10411.8, 0.00296412/step Wall: 10411.8, 0.00296412/step, 1.16506 hours remaining, 208.062500 MB of memory in use. ENERGY: 3585000 739.0283 2104.8041 1960.9681 108.0483 -206099.5585 17671.6604 0.0000 0.0000 34257.8813 -149257.1680 299.1826 -183515.0493 -149160.6561 298.7999 -7.5965 24.1230 556414.4188 20.7797 20.6448 PRESSURE: 3585200 -315.762 12.0065 42.845 12.0068 -43.9484 -230.261 42.8452 -230.259 0.582461 GPRESSURE: 3585200 -215.871 11.9483 97.1949 7.7851 -67.1301 -289.591 37.3763 -161.816 18.8197 PRESSAVG: 3585200 3.17649 41.4189 7.95452 41.4188 -20.176 -17.5834 7.95438 -17.5833 -20.7101 GPRESSAVG: 3585200 2.85171 42.2488 9.71282 41.3649 -19.0237 -14.9605 5.81672 -17.5129 -21.6934 TIMING: 3585200 CPU: 10412.4, 0.00294097/step Wall: 10412.4, 0.00294097/step, 1.1558 hours remaining, 208.062500 MB of memory in use. ENERGY: 3585200 776.5972 2096.2083 1979.2671 104.4788 -206303.8382 17840.6201 0.0000 0.0000 34017.0524 -149489.6143 297.0794 -183506.6667 -149394.0540 299.0686 -119.7093 -88.0606 557554.7762 -12.5699 -12.6218 PRESSURE: 3585400 -105.905 -40.621 9.55151 -40.6213 -130.295 67.7576 9.55235 67.7555 -253.832 GPRESSURE: 3585400 -49.9989 -64.5976 -40.1519 -1.7593 -126.423 82.0025 69.9646 75.9528 -194.408 PRESSAVG: 3585400 72.9265 6.6202 37.6724 6.6202 -35.9904 -12.8522 37.6724 -12.8521 -41.0897 GPRESSAVG: 3585400 72.0423 5.10326 37.6432 7.25571 -36.6044 -13.5222 39.1265 -13.9217 -39.4394 TIMING: 3585400 CPU: 10413, 0.0029114/step Wall: 10413, 0.0029114/step, 1.14402 hours remaining, 208.062500 MB of memory in use. ENERGY: 3585400 731.7280 2090.1530 2001.1790 107.8512 -206452.0810 17720.5241 0.0000 0.0000 34231.0271 -149569.6187 298.9481 -183800.6458 -149479.3367 298.2701 -163.3440 -123.6098 557079.2933 -1.3845 -1.3338 PRESSURE: 3585600 -9.83892 -38.9602 -7.91139 -38.9612 113.067 -73.5028 -7.91127 -73.5013 285.172 GPRESSURE: 3585600 67.1717 -56.3129 5.66217 -101.583 147.894 -92.8176 -23.5504 -47.2408 277.381 PRESSAVG: 3585600 38.8986 -16.5308 -6.13607 -16.5309 65.9505 5.60821 -6.13608 5.60822 -94.1348 GPRESSAVG: 3585600 39.7537 -15.2158 -6.43897 -18.4348 65.4746 4.04854 -7.88666 8.27282 -94.6977 TIMING: 3585600 CPU: 10413.6, 0.00294162/step Wall: 10413.6, 0.00294162/step, 1.15573 hours remaining, 208.062500 MB of memory in use. ENERGY: 3585600 683.9671 2083.0848 1962.6142 114.2215 -206525.4608 18003.6883 0.0000 0.0000 33993.9630 -149683.9219 296.8777 -183677.8849 -149585.1413 297.8898 129.4666 164.1490 555908.0914 3.5714 3.5102 PRESSURE: 3585800 66.7137 69.0853 -65.7473 69.0855 -90.2858 -55.7669 -65.7479 -55.7684 -118.957 GPRESSURE: 3585800 124.533 45.8366 -55.0337 47.9897 -38.7723 -107.297 -23.0242 -54.1262 -113.494 PRESSAVG: 3585800 1.91156 -65.1395 -16.3933 -65.1395 25.51 -62.9467 -16.3933 -62.9467 30.6885 GPRESSAVG: 3585800 1.25312 -66.6093 -15.138 -65.9082 26.6633 -61.3165 -14.9699 -64.3758 30.1203 TIMING: 3585800 CPU: 10414.2, 0.00296964/step Wall: 10414.2, 0.00296964/step, 1.16657 hours remaining, 208.132812 MB of memory in use. ENERGY: 3585800 742.6058 2041.6383 1968.9263 113.4414 -206508.0784 17899.2382 0.0000 0.0000 34110.2125 -149632.0158 297.8930 -183742.2284 -149535.7229 298.2734 -47.5097 -9.2446 556627.3992 19.3700 19.3456 PRESSURE: 3586000 -358.757 88.5338 -58.6263 88.5343 -15.7253 -29.9322 -58.6265 -29.933 -78.7579 GPRESSURE: 3586000 -274.644 49.1838 -109.72 196.68 -11.5324 -67.7721 -63.9115 69.5108 -63.9487 PRESSAVG: 3586000 -10.8673 46.8054 -36.8851 46.8054 -21.7266 -36.2704 -36.8851 -36.2703 53.6334 GPRESSAVG: 3586000 -10.9464 47.0026 -39.56 50.9962 -21.9328 -34.7393 -38.1739 -35.1054 53.9796 TIMING: 3586000 CPU: 10414.7, 0.00295462/step Wall: 10414.7, 0.00295462/step, 1.16051 hours remaining, 208.132812 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: 3586000 743.7035 2096.3926 1964.4728 116.8795 -206332.0571 17644.4123 0.0000 0.0000 34322.9039 -149443.2926 299.7505 -183766.1965 -149350.2690 298.3917 -151.0802 -116.7083 557795.3380 7.0132 7.0335 PRESSURE: 3586200 -94.8932 -32.8826 -123.429 -32.8818 -74.4562 -89.0172 -123.429 -89.0162 117.687 GPRESSURE: 3586200 -83.0787 -74.3592 -28.1388 16.8735 18.1138 17.2786 -122.006 -102.519 95.4162 PRESSAVG: 3586200 -65.3674 54.1342 27.7124 54.1342 47.5327 -1.01698 27.7123 -1.01704 18.1018 GPRESSAVG: 3586200 -65.7286 55.7368 29.5329 52.209 47.1957 -2.31093 28.1352 -1.58861 18.1162 TIMING: 3586200 CPU: 10415.3, 0.00294856/step Wall: 10415.3, 0.00294856/step, 1.15796 hours remaining, 208.132812 MB of memory in use. ENERGY: 3586200 714.1942 2087.5833 1955.6722 104.6156 -206263.2051 17801.5251 0.0000 0.0000 34191.5093 -149408.1053 298.6030 -183599.6147 -149308.6741 298.7528 -17.2206 10.1504 557630.3982 0.0890 -0.1389 PRESSURE: 3586400 -293.937 43.5837 103.468 43.583 -298.935 35.587 103.469 35.5878 -108.22 GPRESSURE: 3586400 -240.042 -39.0406 47.3329 4.58031 -212.562 8.47098 66.431 15.845 -153.45 PRESSAVG: 3586400 -15.121 8.77982 -5.40684 8.77988 -6.41672 -50.1284 -5.4068 -50.1284 28.1031 GPRESSAVG: 3586400 -16.0261 10.0178 -6.19425 8.75013 -6.10697 -48.7808 -2.52195 -51.5581 28.4682 TIMING: 3586400 CPU: 10415.9, 0.00296427/step Wall: 10415.9, 0.00296427/step, 1.16397 hours remaining, 208.132812 MB of memory in use. ENERGY: 3586400 718.0371 2103.4707 1957.5781 117.6370 -205987.4823 17418.9440 0.0000 0.0000 34185.9887 -149485.8268 298.5547 -183671.8155 -149385.9047 298.1053 -233.6975 -202.0178 558227.7855 2.1885 2.1117 PRESSURE: 3586600 -138.373 -55.1132 8.47255 -55.1132 -413.533 -118.892 8.47258 -118.891 -135.181 GPRESSURE: 3586600 -108.309 4.56901 -77.5149 -39.4014 -409.63 -94.7556 86.9502 -46.8246 -83.7332 PRESSAVG: 3586600 -30.5181 -66.4961 20.971 -66.4961 76.563 -45.6964 20.971 -45.6964 -3.95394 GPRESSAVG: 3586600 -29.479 -67.0584 20.4044 -68.9588 76.4658 -45.8219 17.9808 -45.81 -4.73337 TIMING: 3586600 CPU: 10416.5, 0.00299945/step Wall: 10416.5, 0.00299945/step, 1.17762 hours remaining, 208.132812 MB of memory in use. ENERGY: 3586600 731.5926 2073.6737 1953.6050 114.6744 -206031.0219 17569.8825 0.0000 0.0000 34272.7275 -149314.8662 299.3123 -183587.5937 -149216.0832 299.0804 -229.0290 -200.5573 559378.8351 14.0303 14.0845 PRESSURE: 3586800 157.539 -0.955205 195.2 -0.954998 83.6261 28.0672 195.2 28.0671 25.8336 GPRESSURE: 3586800 197.998 90.2635 197.281 -66.454 146 62.4519 124.901 -83.8381 14.9856 PRESSAVG: 3586800 49.4217 4.68194 -10.2662 4.6819 -19.7861 -12.1041 -10.2663 -12.1041 -43.5985 GPRESSAVG: 3586800 49.5698 1.62034 -10.3581 8.42081 -19.811 -14.3263 -9.55249 -12.1631 -43.9107 TIMING: 3586800 CPU: 10417.1, 0.00298443/step Wall: 10417.1, 0.00298443/step, 1.17155 hours remaining, 208.191406 MB of memory in use. ENERGY: 3586800 749.1690 2115.5844 1971.3687 102.5730 -206748.8898 18073.2256 0.0000 0.0000 34278.6203 -149458.3489 299.3637 -183736.9691 -149362.4283 298.7562 88.9994 119.6613 556990.6500 -4.6543 -4.7173 PRESSURE: 3587000 176.657 26.1231 8.89875 26.1233 91.1153 101.288 8.8995 101.287 -41.5312 GPRESSURE: 3587000 228.565 67.2499 -6.63362 21.4634 87.1764 42.2481 -33.7886 100.839 9.66578 PRESSAVG: 3587000 81.7276 19.7326 32.8346 19.7326 -29.1922 -20.9185 32.8346 -20.9185 -29.6294 GPRESSAVG: 3587000 81.2976 20.1965 34.3346 19.406 -29.6754 -20.5919 32.6115 -20.8496 -28.6047 TIMING: 3587000 CPU: 10417.7, 0.0029891/step Wall: 10417.7, 0.0029891/step, 1.17322 hours remaining, 208.191406 MB of memory in use. ENERGY: 3587000 729.9012 2110.1985 1948.7982 125.4674 -206539.0970 18192.3035 0.0000 0.0000 34167.7312 -149264.6972 298.3953 -183432.4283 -149169.6855 298.7830 75.4138 108.4690 558040.9631 7.6353 7.6725 PRESSURE: 3587200 138.339 242.789 4.59098 242.789 192.336 -30.2925 4.59216 -30.2953 227.943 GPRESSURE: 3587200 162.648 273.458 24.6313 227.416 197.395 -44.856 41.6857 2.71244 288.675 PRESSAVG: 3587200 -11.7335 35.6048 -38.2955 35.6048 38.4274 1.6203 -38.2955 1.62028 -23.328 GPRESSAVG: 3587200 -11.7166 35.3611 -38.1296 35.6819 39.2906 0.882849 -38.1243 4.46344 -24.4689 TIMING: 3587200 CPU: 10418.3, 0.0029748/step Wall: 10418.3, 0.0029748/step, 1.16744 hours remaining, 208.191406 MB of memory in use. ENERGY: 3587200 719.8950 2085.3478 1956.2468 114.5626 -206473.2673 18106.4186 0.0000 0.0000 34356.3743 -149134.4221 300.0428 -183490.7963 -149036.5869 298.7899 186.2060 216.2395 557866.2345 1.1220 1.0350 PRESSURE: 3587400 152.713 85.9774 -92.2818 85.9774 90.5946 103.103 -92.2809 103.103 -13.0842 GPRESSURE: 3587400 221.254 116.617 -19.0338 95.8819 75.1778 120.085 -45.3257 129.097 27.597 PRESSAVG: 3587400 58.1976 20.385 -32.2656 20.3849 16.2374 -44.9806 -32.2656 -44.9807 -66.2571 GPRESSAVG: 3587400 58.153 21.4144 -32.9088 19.4677 15.7401 -45.1134 -31.5735 -46.8141 -65.7415 TIMING: 3587400 CPU: 10418.9, 0.00294687/step Wall: 10418.9, 0.00294687/step, 1.15632 hours remaining, 208.234375 MB of memory in use. ENERGY: 3587400 719.0910 2121.1798 1970.8142 114.1137 -206460.4786 18027.0494 0.0000 0.0000 34140.7768 -149367.4537 298.1599 -183508.2305 -149274.3073 299.7195 76.7412 108.0098 557652.5410 2.7260 2.7172 PRESSURE: 3587600 -81.2933 131.054 -18.1707 131.053 -80.2192 140.892 -18.1703 140.892 1.40132 GPRESSURE: 3587600 -102.957 97.1334 30.3751 135.346 -41.3725 67.0734 -19.5412 63.8913 77.651 PRESSAVG: 3587600 29.2442 54.1344 -10.8646 54.1345 34.7968 -15.9923 -10.8646 -15.9924 -29.6268 GPRESSAVG: 3587600 29.9608 52.8988 -11.0505 55.4521 34.3466 -13.759 -10.033 -18.0211 -30.6085 TIMING: 3587600 CPU: 10419.5, 0.00291609/step Wall: 10419.5, 0.00291609/step, 1.14408 hours remaining, 208.234375 MB of memory in use. ENERGY: 3587600 739.4297 2088.5464 1951.7534 118.0349 -206207.1200 17816.3104 0.0000 0.0000 34101.6797 -149391.3653 297.8185 -183493.0450 -149294.4388 299.3164 -53.3704 -22.2262 559451.3192 11.4714 11.2330 PRESSURE: 3587800 -77.0383 -93.3532 57.1093 -93.3538 -421.162 -9.47281 57.1104 -9.47116 51.789 GPRESSURE: 3587800 -67.7149 -64.9546 93.9679 -119.601 -339.512 23.0912 -33.8802 44.7616 59.8752 PRESSAVG: 3587800 20.8289 -29.0858 -36.4848 -29.0858 -54.5676 21.0578 -36.4847 21.0579 0.347101 GPRESSAVG: 3587800 20.7215 -25.4349 -37.4635 -31.2668 -54.8364 21.912 -37.826 21.4176 0.694708 TIMING: 3587800 CPU: 10420.1, 0.00291083/step Wall: 10420.1, 0.00291083/step, 1.14185 hours remaining, 208.234375 MB of memory in use. ENERGY: 3587800 730.3012 2056.2607 1953.9270 107.9557 -206181.5885 17564.3065 0.0000 0.0000 34261.9743 -149506.8630 299.2183 -183768.8373 -149404.0574 299.0811 -148.8038 -115.7839 557389.5816 -11.1305 -11.1401 PRESSURE: 3588000 -24.0006 -89.5919 -25.8932 -89.591 165.091 37.4002 -25.8944 37.4003 -58.5138 GPRESSURE: 3588000 28.1759 30.7899 -16.8844 -158.011 201.125 20.7244 -118.411 79.8661 -44.9097 PRESSAVG: 3588000 9.47182 -1.03072 3.20206 -1.03077 -11.334 21.2618 3.20212 21.2618 39.7664 GPRESSAVG: 3588000 9.03741 -1.60822 5.05445 -1.5739 -11.2593 19.6307 1.57412 22.2633 40.0192 TIMING: 3588000 CPU: 10420.7, 0.00295938/step Wall: 10420.7, 0.00295938/step, 1.16073 hours remaining, 208.234375 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: 3588000 766.0372 2116.6205 1943.2294 119.0133 -206562.9651 18047.3056 0.0000 0.0000 34235.5898 -149335.1694 298.9879 -183570.7592 -149243.2706 298.6813 27.5254 61.4639 557430.1452 12.6347 12.5991 PRESSURE: 3588200 158.858 -55.9205 -148.988 -55.9208 69.0243 133.385 -148.988 133.385 12.9275 GPRESSURE: 3588200 208.74 -83.851 -243.472 -143.916 96.9773 101.859 -108.957 152.953 35.3052 PRESSAVG: 3588200 43.8271 39.3035 -5.89649 39.3036 -27.7861 36.8871 -5.89644 36.8871 15.8728 GPRESSAVG: 3588200 43.7036 38.3626 -9.1886 42.9822 -28.305 37.2481 -3.83702 37.9436 16.5102 TIMING: 3588200 CPU: 10421.3, 0.00293133/step Wall: 10421.3, 0.00293133/step, 1.14957 hours remaining, 208.234375 MB of memory in use. ENERGY: 3588200 723.6675 2082.9263 1939.2767 116.1078 -206282.9558 17892.4075 0.0000 0.0000 34183.4610 -149345.1090 298.5327 -183528.5700 -149241.6848 298.9172 80.2699 113.6742 557375.3866 10.6379 10.6363 LDB: ============= START OF LOAD BALANCING ============== 10424.7 LDB: ============== END OF LOAD BALANCING =============== 10424.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.7 LDB: ============= START OF LOAD BALANCING ============== 10425 LDB: Largest compute 4820 load 0.032738 is 27.8% of average load 0.117789 LDB: Average compute 0.001736 is 1.5% of average load 0.117789 LDB: TIME 10425 LOAD: AVG 0.117789 MAX 0.177953 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 10425 LOAD: AVG 0.117789 MAX 0.177953 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: TIME 10425 LOAD: AVG 0.117789 MAX 0.177953 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: ============== END OF LOAD BALANCING =============== 10425 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10425 PRESSURE: 3588400 14.1348 73.8172 15.6598 73.8166 -90.3831 112.689 15.6594 112.687 35.5638 GPRESSURE: 3588400 102.708 79.1495 43.7553 95.6607 -63.2995 99.6987 -64.8947 147.278 11.7998 PRESSAVG: 3588400 -24.769 -32.3714 -27.2743 -32.3715 9.12101 35.1521 -27.2742 35.1521 38.7516 GPRESSAVG: 3588400 -23.9408 -32.2272 -25.2596 -34.575 9.76498 35.0747 -28.7823 35.1107 37.1767 TIMING: 3588400 CPU: 10421.9, 0.00299194/step Wall: 10421.9, 0.00299194/step, 1.17317 hours remaining, 207.863281 MB of memory in use. ENERGY: 3588400 714.5576 2106.1232 1961.8249 131.8464 -206255.4440 17732.3490 0.0000 0.0000 34294.2936 -149314.4492 299.5006 -183608.7428 -149218.0376 299.5392 -13.5615 17.0693 556242.0713 7.7012 7.6669 PRESSURE: 3588600 -35.8446 -114.858 179.751 -114.858 -247.26 -52.8914 179.752 -52.8924 -376.192 GPRESSURE: 3588600 -18.5077 -174.06 213.852 -147.982 -185.138 -87.2901 242.686 -46.0566 -343.223 PRESSAVG: 3588600 3.04901 11.9547 47.0043 11.9547 10.9835 -5.34897 47.0043 -5.349 -51.4736 GPRESSAVG: 3588600 2.95699 13.1986 47.2193 10.9844 10.8299 -3.30094 47.7111 -6.66293 -50.4101 TIMING: 3588600 CPU: 10422.4, 0.00291945/step Wall: 10422.4, 0.00291945/step, 1.14459 hours remaining, 208.066406 MB of memory in use. ENERGY: 3588600 760.0963 2107.0944 1959.7520 119.3931 -206095.2444 17505.7925 0.0000 0.0000 34395.7717 -149247.3444 300.3868 -183643.1161 -149149.2046 299.4962 -219.7657 -182.2895 556429.3677 -12.4804 -12.2077 PRESSURE: 3588800 63.5602 76.3565 194.545 76.3558 -252.114 -7.65676 194.545 -7.65479 -609.805 GPRESSURE: 3588800 95.4117 -18.4259 258.619 103.17 -239.938 17.3174 197.438 16.6081 -554.436 PRESSAVG: 3588800 12.783 -13.8469 99.7811 -13.8468 50.1888 -68.3461 99.781 -68.346 -60.9286 GPRESSAVG: 3588800 12.2643 -15.3879 98.2557 -14.0476 50.3854 -70.065 98.3132 -67.2248 -60.5161 TIMING: 3588800 CPU: 10423, 0.0029346/step Wall: 10423, 0.0029346/step, 1.15036 hours remaining, 208.066406 MB of memory in use. ENERGY: 3588800 735.4027 2150.9921 1947.6130 126.6691 -205788.8885 17413.9793 0.0000 0.0000 34216.3725 -149197.8599 298.8201 -183414.2323 -149094.9584 299.7865 -266.1197 -232.9874 558493.4902 0.6810 0.7112 PRESSURE: 3589000 78.8847 -31.8951 -11.184 -31.8951 -214.506 -33.8881 -11.1844 -33.889 -155.839 GPRESSURE: 3589000 83.9026 -31.3552 -9.12708 -41.3859 -135.839 78.1643 86.2005 -47.0476 -150.79 PRESSAVG: 3589000 62.3347 -23.7436 34.7689 -23.7436 6.8162 -54.7511 34.7689 -54.7512 -58.8955 GPRESSAVG: 3589000 62.1763 -23.0389 35.1414 -21.7081 6.67004 -52.7517 37.6737 -55.0346 -59.0079 TIMING: 3589000 CPU: 10423.6, 0.00295236/step Wall: 10423.6, 0.00295236/step, 1.15716 hours remaining, 208.066406 MB of memory in use. ENERGY: 3589000 758.7215 2111.0498 1965.9062 110.3355 -205813.9138 17642.8079 0.0000 0.0000 34218.5701 -149006.5228 298.8393 -183225.0929 -148915.7781 299.9129 -97.1534 -67.5757 558639.2633 3.4185 3.2795 PRESSURE: 3589200 206.248 -44.2139 114.958 -44.2134 -59.6815 -85.1198 114.958 -85.1191 -254.956 GPRESSURE: 3589200 187.613 -20.402 67.0724 -100.659 28.6773 -46.9079 51.1636 -61.9671 -239.848 PRESSAVG: 3589200 20.775 -65.1412 27.5834 -65.1412 20.9587 -45.9534 27.5834 -45.9534 -32.1544 GPRESSAVG: 3589200 21.2704 -66.7171 25.6249 -65.6591 21.7447 -48.5363 27.173 -43.95 -32.9525 TIMING: 3589200 CPU: 10424.2, 0.00294694/step Wall: 10424.2, 0.00294694/step, 1.15487 hours remaining, 208.136719 MB of memory in use. ENERGY: 3589200 752.4983 2119.1528 1934.8160 104.2577 -205930.3831 17786.4221 0.0000 0.0000 34344.1425 -148889.0938 299.9359 -183233.2363 -148793.5523 300.2812 -36.1296 -7.8527 557838.8706 3.1931 3.3542 PRESSURE: 3589400 48.0028 60.6337 -163.719 60.6345 -192.321 22.9214 -163.719 22.9231 -26.4723 GPRESSURE: 3589400 47.6706 6.87909 -196.721 50.7302 -147.459 82.2061 -136.362 111.889 27.5785 PRESSAVG: 3589400 41.2285 27.1269 34.7478 27.127 23.8622 -25.5749 34.7478 -25.575 -29.424 GPRESSAVG: 3589400 41.1771 27.4484 35.3935 26.2912 23.7583 -23.881 35.9372 -27.375 -29.0721 TIMING: 3589400 CPU: 10424.8, 0.00294447/step Wall: 10424.8, 0.00294447/step, 1.15374 hours remaining, 208.136719 MB of memory in use. ENERGY: 3589400 742.9695 2109.3129 1951.6857 110.7959 -206126.6086 17939.5331 0.0000 0.0000 34234.8903 -149037.4213 298.9818 -183272.3115 -148938.2669 300.5899 -56.9301 -24.0700 558488.1499 11.8889 11.9544 PRESSURE: 3589600 -51.4029 45.5175 50.2433 45.5185 52.2321 -129.082 50.2426 -129.083 -202.673 GPRESSURE: 3589600 18.8585 102.013 69.0105 66.0184 70.2107 -163.469 68.302 -143.867 -179.024 PRESSAVG: 3589600 3.3692 -26.9891 47.4108 -26.9891 46.675 46.7895 47.4107 46.7894 -62.131 GPRESSAVG: 3589600 3.26635 -27.5046 49.3171 -24.7733 47.0913 45.913 46.1818 47.1342 -62.1679 TIMING: 3589600 CPU: 10425.4, 0.00297699/step Wall: 10425.4, 0.00297699/step, 1.16632 hours remaining, 208.136719 MB of memory in use. ENERGY: 3589600 753.9360 2143.4689 1929.7698 108.2976 -205814.4277 17652.0394 0.0000 0.0000 34168.2392 -149058.6767 298.3997 -183226.9159 -148957.7796 299.8870 -67.2813 -29.9848 557573.9411 -4.0289 -3.9367 PRESSURE: 3589800 7.6928 5.7294 56.8212 5.72866 160.207 -413.266 56.822 -413.266 -2.02131 GPRESSURE: 3589800 47.6725 -14.7123 87.3247 20.6875 122.241 -401.139 31.9021 -376.293 89.1595 PRESSAVG: 3589800 -88.7057 -41.1613 35.0411 -41.1613 20.4056 -87.5124 35.041 -87.5124 36.2887 GPRESSAVG: 3589800 -88.6639 -39.8519 33.8248 -42.7938 20.4803 -86.5319 33.9529 -88.0421 35.8836 TIMING: 3589800 CPU: 10426, 0.00295995/step Wall: 10426, 0.00295995/step, 1.15948 hours remaining, 208.136719 MB of memory in use. ENERGY: 3589800 775.2070 2172.3006 1946.0419 112.9545 -206269.4507 17877.6846 0.0000 0.0000 34445.8653 -148939.3968 300.8243 -183385.2621 -148840.2647 300.3274 55.2928 86.3577 557551.7961 -10.6705 -10.7667 PRESSURE: 3590000 -233.443 22.1125 90.692 22.1132 -169.954 -24.2085 90.6929 -24.2081 -312.155 GPRESSURE: 3590000 -186.672 82.8823 117.804 5.73237 -118.045 41.2382 30.9343 -49.7966 -313.021 PRESSAVG: 3590000 2.2722 30.0442 50.8782 30.0441 68.8907 -81.9316 50.8781 -81.9315 -62.9135 GPRESSAVG: 3590000 2.03671 30.3523 50.3448 31.0262 68.6648 -82.7223 51.7173 -81.2534 -62.9313 TIMING: 3590000 CPU: 10426.6, 0.0029911/step Wall: 10426.6, 0.0029911/step, 1.17151 hours remaining, 208.136719 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: 3590000 723.3058 2122.0384 1952.0764 117.8625 -205379.6949 17293.0714 0.0000 0.0000 34166.8395 -149004.5008 298.3875 -183171.3403 -148901.2248 299.8162 -238.5175 -205.9127 559127.3523 2.7498 2.5901 PRESSURE: 3590200 -20.3222 40.7712 53.7243 40.7726 -111.389 41.1414 53.7241 41.1419 -345.211 GPRESSURE: 3590200 -4.61885 65.0399 28.2751 60.989 -41.5905 44.334 -27.5192 36.5228 -329.432 PRESSAVG: 3590200 -17.0739 32.4001 -24.3017 32.4002 46.0516 -19.1239 -24.3017 -19.1238 -7.90243 GPRESSAVG: 3590200 -16.6517 33.6183 -26.004 31.7827 45.5309 -20.5484 -24.9626 -18.4791 -7.83629 TIMING: 3590200 CPU: 10427.2, 0.00295435/step Wall: 10427.2, 0.00295435/step, 1.15695 hours remaining, 208.136719 MB of memory in use. ENERGY: 3590200 735.0765 2100.7205 1970.5564 116.5603 -205793.4246 17550.4904 0.0000 0.0000 34200.5468 -149119.4737 298.6819 -183320.0205 -149019.6213 299.4877 -158.9740 -125.2137 557761.5374 7.0251 7.0143 PRESSURE: 3590400 511.175 55.5434 57.0373 55.5426 113.331 33.1528 57.0383 33.1522 119.456 GPRESSURE: 3590400 498.411 79.9542 36.3466 69.2106 162.5 62.5218 2.05822 -9.5376 171.834 PRESSAVG: 3590400 -45.5884 -9.45638 3.19331 -9.45646 16.6579 -49.9176 3.19327 -49.9176 -8.06604 GPRESSAVG: 3590400 -47.2587 -10.4588 4.96221 -9.06484 17.7636 -48.6798 3.92015 -50.7978 -7.60161 TIMING: 3590400 CPU: 10427.8, 0.00294612/step Wall: 10427.8, 0.00294612/step, 1.15357 hours remaining, 208.136719 MB of memory in use. ENERGY: 3590400 793.1946 2076.8822 1961.9940 120.2584 -206702.1639 18182.3530 0.0000 0.0000 34262.4729 -149305.0087 299.2227 -183567.4816 -149211.8088 299.2962 247.9874 277.5817 555318.3461 -12.3322 -12.3656 PRESSURE: 3590600 -41.5936 130.566 52.2768 130.566 191.464 -70.7999 52.2768 -70.7993 -311.184 GPRESSURE: 3590600 -49.6354 88.8632 135.387 156.345 189.421 -125.216 16.015 -41.3134 -202.096 PRESSAVG: 3590600 1.34904 18.6278 5.69915 18.6278 35.0994 -40.0615 5.69926 -40.0615 -25.9538 GPRESSAVG: 3590600 1.83591 20.0802 5.33057 17.2705 33.7979 -41.0395 6.13094 -40.1803 -25.8847 TIMING: 3590600 CPU: 10428.4, 0.00296957/step Wall: 10428.4, 0.00296957/step, 1.16258 hours remaining, 208.136719 MB of memory in use. ENERGY: 3590600 791.2618 2108.0208 1922.6868 99.8233 -206499.0793 17967.8734 0.0000 0.0000 34363.8344 -149245.5788 300.1079 -183609.4132 -149148.0079 299.3026 -53.7711 -20.7702 558259.8456 3.4982 3.2497 PRESSURE: 3590800 31.391 -77.5226 -31.786 -77.5222 283.412 28.6605 -31.7846 28.6593 -85.1053 GPRESSURE: 3590800 28.6644 -59.1539 -48.9528 -107.796 326.939 67.3561 7.63329 23.8241 -28.4961 PRESSAVG: 3590800 -46.1314 20.7874 33.8388 20.7874 29.2955 4.70611 33.8388 4.7062 12.2674 GPRESSAVG: 3590800 -46.7985 19.891 34.0894 20.6157 29.8146 6.80013 34.0153 4.96616 12.0393 TIMING: 3590800 CPU: 10428.9, 0.00294543/step Wall: 10428.9, 0.00294543/step, 1.15297 hours remaining, 208.136719 MB of memory in use. ENERGY: 3590800 723.3866 2134.4246 1966.3524 104.2953 -206714.0534 17909.0518 0.0000 0.0000 34405.8305 -149470.7122 300.4747 -183876.5427 -149369.6321 298.6673 76.5658 109.0358 556542.2239 -1.5228 -1.6482 PRESSURE: 3591000 -189.459 -40.8034 128.51 -40.8043 -65.1265 68.3057 128.51 68.3049 -223.681 GPRESSURE: 3591000 -162.69 -18.5219 73.4428 -40.8136 -48.0615 56.5985 172.915 132.877 -169.527 PRESSAVG: 3591000 -62.6239 18.5316 34.3688 18.5316 21.6191 -29.8086 34.3688 -29.8087 22.0772 GPRESSAVG: 3591000 -63.0277 16.8185 34.3058 19.6342 21.1102 -32.0565 34.1016 -28.6268 22.656 TIMING: 3591000 CPU: 10429.5, 0.00292288/step Wall: 10429.5, 0.00292288/step, 1.14398 hours remaining, 208.136719 MB of memory in use. ENERGY: 3591000 782.6584 2095.8971 1951.1814 109.7371 -206368.7896 17860.9981 0.0000 0.0000 34233.7878 -149334.5296 298.9722 -183568.3174 -149235.0701 298.5243 -159.4222 -126.7597 558833.1807 -6.3092 -6.4205 PRESSURE: 3591200 -318.195 -73.457 -37.4882 -73.4569 151.012 -86.367 -37.4892 -86.3668 -203.759 GPRESSURE: 3591200 -278.98 -20.5207 -15.8894 -63.1176 180.56 -91.2129 68.2486 -92.6483 -189.717 PRESSAVG: 3591200 -11.2807 -74.882 49.3106 -74.8821 5.35776 34.1943 49.3106 34.1943 32.0714 GPRESSAVG: 3591200 -9.77185 -73.5324 51.1961 -76.2981 4.94054 34.4469 47.4724 33.7909 30.7008 TIMING: 3591200 CPU: 10430.1, 0.00292364/step Wall: 10430.1, 0.00292364/step, 1.14412 hours remaining, 208.136719 MB of memory in use. ENERGY: 3591200 742.7412 2142.8125 1952.6184 106.5067 -206036.4700 17582.6485 0.0000 0.0000 34189.7141 -149319.4286 298.5873 -183509.1427 -149216.3971 298.8400 -123.6472 -96.0458 556868.4336 8.7162 8.6232 PRESSURE: 3591400 -60.165 6.33648 -198.596 6.33676 -77.9476 -60.6543 -198.596 -60.6533 -141.009 GPRESSURE: 3591400 -97.2067 16.8904 -210.278 -60.2525 1.02748 -114.978 -129.118 -63.5279 -89.9416 PRESSAVG: 3591400 -5.16886 -25.3185 -4.78612 -25.3185 54.6172 10.9477 -4.78615 10.9478 -6.93938 GPRESSAVG: 3591400 -6.64647 -25.3562 -6.39779 -25.1651 55.8917 11.0543 -1.83287 10.5658 -7.06453 TIMING: 3591400 CPU: 10430.7, 0.00293907/step Wall: 10430.7, 0.00293907/step, 1.14999 hours remaining, 208.136719 MB of memory in use. ENERGY: 3591400 732.7095 2137.4613 1944.2800 105.5284 -205894.3119 17614.0288 0.0000 0.0000 34144.2212 -149216.0827 298.1900 -183360.3039 -149115.5161 299.2098 -93.0406 -62.0403 556761.9493 14.1696 14.0602 PRESSURE: 3591600 -90.2103 -73.127 62.8849 -73.1305 73.4004 125.764 62.8844 125.762 106.803 GPRESSURE: 3591600 -81.5475 -155.809 67.3823 -113.175 140.046 131.886 -3.60914 67.6541 129.121 PRESSAVG: 3591600 -34.3588 -34.823 25.9995 -34.8231 44.7768 -42.2731 25.9995 -42.2731 -23.7944 GPRESSAVG: 3591600 -33.5996 -36.6165 27.5029 -33.8845 43.8625 -42.9915 23.5064 -41.5281 -23.734 TIMING: 3591600 CPU: 10431.3, 0.00296502/step Wall: 10431.3, 0.00296502/step, 1.15998 hours remaining, 208.136719 MB of memory in use. ENERGY: 3591600 743.2764 2107.1674 1950.9070 120.1241 -206170.9360 17800.8962 0.0000 0.0000 34228.2009 -149220.3641 298.9234 -183448.5649 -149127.7982 298.7158 29.9978 62.5399 556554.7740 -4.4588 -4.4904 PRESSURE: 3591800 -220.735 -34.5068 116.077 -34.5063 230.056 -76.6466 116.076 -76.6455 166.984 GPRESSURE: 3591800 -225.55 -63.5651 130.57 -56.8763 320.881 1.06898 57.6072 -107.713 174.704 PRESSAVG: 3591800 11.4049 -53.6461 31.1041 -53.6461 45.8259 -6.25352 31.1041 -6.25367 -35.2332 GPRESSAVG: 3591800 10.6131 -53.7385 30.3921 -54.4273 46.7491 -4.14409 31.3426 -8.1527 -35.3346 TIMING: 3591800 CPU: 10431.9, 0.00297976/step Wall: 10431.9, 0.00297976/step, 1.16558 hours remaining, 208.136719 MB of memory in use. ENERGY: 3591800 684.5836 2124.6284 1937.7988 132.8267 -206216.4663 17802.8415 0.0000 0.0000 34276.9546 -149256.8326 299.3492 -183533.7873 -149166.0380 298.5657 58.7682 90.0117 556217.7944 7.3325 7.3426 PRESSURE: 3592000 53.6739 53.8473 -13.5976 53.8479 173.888 -48.6306 -13.5984 -48.6306 288.521 GPRESSURE: 3592000 57.4784 66.7668 -43.1915 2.94562 219.182 -102.284 -31.0267 -23.6125 346.637 PRESSAVG: 3592000 -32.1306 -36.0757 -23.8588 -36.0757 38.7132 -11.5571 -23.8589 -11.5571 -22.3467 GPRESSAVG: 3592000 -31.5395 -38.3188 -24.2361 -35.3051 38.205 -12.6 -23.9148 -12.9978 -22.0582 TIMING: 3592000 CPU: 10432.5, 0.00296886/step Wall: 10432.5, 0.00296886/step, 1.16116 hours remaining, 208.136719 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: 3592000 748.2032 2077.6576 1943.5811 117.4938 -206330.4705 17990.0562 0.0000 0.0000 34180.9694 -149272.5091 298.5109 -183453.4785 -149181.1813 298.7926 172.0276 207.7660 556959.6821 -5.2547 -5.1309 PRESSURE: 3592200 165.688 107.047 -60.8264 107.047 112.372 111.689 -60.8258 111.688 94.0148 GPRESSURE: 3592200 203.11 18.081 -49.7468 206.767 99.9359 94.6114 -83.389 79.861 172.249 PRESSAVG: 3592200 -17.648 51.4461 -5.77167 51.4462 6.18477 63.7149 -5.77164 63.7148 29.4714 GPRESSAVG: 3592200 -18.1056 51.9863 -3.57574 53.4936 5.26665 61.4327 -3.96553 67.2443 30.3385 TIMING: 3592200 CPU: 10433.1, 0.00299599/step Wall: 10433.1, 0.00299599/step, 1.1716 hours remaining, 208.136719 MB of memory in use. ENERGY: 3592200 736.1604 2084.1961 1920.0696 118.9726 -206378.1970 18077.5007 0.0000 0.0000 34096.2642 -149345.0335 297.7712 -183441.2977 -149243.6955 297.9880 124.0250 158.4319 557175.4030 6.0027 5.8332 LDB: ============= START OF LOAD BALANCING ============== 10436.6 LDB: ============== END OF LOAD BALANCING =============== 10436.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.6 LDB: ============= START OF LOAD BALANCING ============== 10436.9 LDB: Largest compute 4820 load 0.033852 is 28.7% of average load 0.117805 LDB: Average compute 0.001739 is 1.5% of average load 0.117805 LDB: TIME 10436.9 LOAD: AVG 0.117805 MAX 0.181072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.383 MB LDB: TIME 10436.9 LOAD: AVG 0.117805 MAX 0.181072 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 10436.9 LOAD: AVG 0.117805 MAX 0.181072 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 10436.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10436.9 PRESSURE: 3592400 -212.389 -95.8149 -71.0381 -95.8161 1.71199 32.6954 -71.0391 32.6969 -105.345 GPRESSURE: 3592400 -199.518 -78.3104 -84.1319 -134.613 46.6017 1.27898 -23.6394 36.5085 -79.2354 PRESSAVG: 3592400 -23.2856 -1.74038 -15.4404 -1.74035 41.3167 -1.70906 -15.4403 -1.70904 -0.454473 GPRESSAVG: 3592400 -23.3425 0.894829 -16.4584 -4.03986 41.5981 0.488391 -15.636 -3.45741 -1.02474 TIMING: 3592400 CPU: 10433.7, 0.0030278/step Wall: 10433.7, 0.0030278/step, 1.18387 hours remaining, 207.316406 MB of memory in use. ENERGY: 3592400 745.9779 2071.7277 1913.7820 121.3875 -205772.3707 17645.2602 0.0000 0.0000 33960.2968 -149313.9386 296.5837 -183274.2354 -149218.9821 298.5700 -105.3408 -77.3840 559147.7112 5.8589 5.7436 PRESSURE: 3592600 12.1282 -179.731 -130.149 -179.728 -237.076 31.0085 -130.152 31.0084 -14.138 GPRESSURE: 3592600 42.4239 -246.022 -85.9594 -90.1814 -190.939 77.1868 -170.669 49.1106 -3.13817 PRESSAVG: 3592600 13.1005 -25.067 -13.3243 -25.067 -16.8987 36.6736 -13.3242 36.6736 17.7723 GPRESSAVG: 3592600 13.6999 -26.3433 -14.3092 -24.7567 -16.7219 34.4759 -14.4396 36.8668 16.8939 TIMING: 3592600 CPU: 10434.3, 0.00296905/step Wall: 10434.3, 0.00296905/step, 1.16073 hours remaining, 207.316406 MB of memory in use. ENERGY: 3592600 749.9189 2102.3393 1935.2316 122.6253 -205780.6278 17608.9698 0.0000 0.0000 34008.2432 -149253.2995 297.0024 -183261.5427 -149160.0871 298.9216 -79.6951 -50.5512 559227.9962 4.6580 4.6239 PRESSURE: 3592800 189.66 12.8321 72.968 12.8327 -82.528 235.846 72.9682 235.846 -71.621 GPRESSURE: 3592800 183.105 14.7671 88.8133 -50.6583 25.7438 190.627 75.7718 209.915 -65.7957 PRESSAVG: 3592800 1.98665 0.908019 -7.37993 0.907992 -21.0304 26.9868 -7.3799 26.9867 3.92225 GPRESSAVG: 3592800 1.2018 3.54895 -8.1036 1.0398 -20.8432 27.8355 -8.39293 27.4656 4.50242 TIMING: 3592800 CPU: 10434.9, 0.00297164/step Wall: 10434.9, 0.00297164/step, 1.16158 hours remaining, 207.316406 MB of memory in use. ENERGY: 3592800 724.8500 2035.6165 1974.6523 114.4995 -206245.1237 17802.1753 0.0000 0.0000 34246.7104 -149346.6197 299.0850 -183593.3301 -149247.7374 297.7600 11.8370 47.6845 559002.8202 -5.0405 -5.0463 PRESSURE: 3593000 49.6185 19.3251 19.7432 19.3255 -145.25 -2.70035 19.7432 -2.69958 193.616 GPRESSURE: 3593000 105.707 -53.4194 64.9178 116.057 -137.141 -25.1958 9.09457 11.1421 231.982 PRESSAVG: 3593000 16.1214 -31.1093 44.1539 -31.1092 -16.8213 50.1141 44.1539 50.1141 20.8253 GPRESSAVG: 3593000 16.3835 -34.5752 43.2758 -31.602 -18.1897 51.3586 46.1043 49.0652 21.6587 TIMING: 3593000 CPU: 10435.5, 0.00293004/step Wall: 10435.5, 0.00293004/step, 1.14516 hours remaining, 207.316406 MB of memory in use. ENERGY: 3593000 757.5927 2115.9298 1969.6076 123.1717 -206746.5320 18181.4915 0.0000 0.0000 34129.7974 -149468.9413 298.0640 -183598.7387 -149370.2546 298.1610 32.6615 66.8496 557771.8115 6.7085 6.6175 PRESSURE: 3593200 -263.796 70.5514 160.691 70.5536 -129.274 252.406 160.69 252.406 -376.002 GPRESSURE: 3593200 -251.155 82.109 141.787 33.2756 -132.594 218.109 126.652 218.752 -293.864 PRESSAVG: 3593200 48.8191 16.8073 -10.1858 16.8073 -29.9156 53.211 -10.1857 53.211 -8.51384 GPRESSAVG: 3593200 47.9206 16.5907 -9.769 18.4324 -28.5239 53.0674 -9.81319 54.0436 -9.63804 TIMING: 3593200 CPU: 10436, 0.00293554/step Wall: 10436, 0.00293554/step, 1.14714 hours remaining, 207.316406 MB of memory in use. ENERGY: 3593200 745.2212 2096.4894 1960.0692 133.5997 -205685.0767 17407.4149 0.0000 0.0000 33890.0308 -149452.2516 295.9701 -183342.2824 -149359.4196 298.1407 -256.3575 -225.8710 559038.6533 3.4632 3.2529 PRESSURE: 3593400 -95.5788 -51.6333 114.144 -51.6317 134.603 119.998 114.144 119.998 244.766 GPRESSURE: 3593400 -54.4504 -50.8265 72.966 10.0454 174.574 45.0899 91.4825 149.195 265.09 PRESSAVG: 3593400 -23.4513 7.74241 34.9864 7.74242 -0.403152 -15.0485 34.9865 -15.0485 18.8803 GPRESSAVG: 3593400 -21.9812 8.63972 33.5155 6.94769 -0.539056 -13.2449 34.9696 -16.3767 17.9073 TIMING: 3593400 CPU: 10436.6, 0.00292415/step Wall: 10436.6, 0.00292415/step, 1.14253 hours remaining, 207.316406 MB of memory in use. ENERGY: 3593400 758.8801 2039.7953 1980.2589 109.7365 -206887.0676 18061.4133 0.0000 0.0000 34419.2373 -149517.7461 300.5918 -183936.9835 -149423.4499 298.8217 94.5966 128.4044 556151.3696 -1.6580 -1.5376 PRESSURE: 3593600 -109.204 -12.4665 2.53163 -12.4674 -306.694 73.5531 2.53141 73.5525 89.0004 GPRESSURE: 3593600 -59.6794 11.5824 -22.5532 -60.6565 -280.118 138.624 -99.6629 -3.19391 113.043 PRESSAVG: 3593600 -51.1676 -16.3461 33.1897 -16.3461 -17.6397 24.6377 33.1898 24.6376 11.1458 GPRESSAVG: 3593600 -52.3477 -15.9587 34.1846 -16.8626 -17.3965 20.5483 32.9403 24.8397 11.9659 TIMING: 3593600 CPU: 10437.2, 0.00295342/step Wall: 10437.2, 0.00295342/step, 1.1538 hours remaining, 207.316406 MB of memory in use. ENERGY: 3593600 728.2220 2066.3059 1958.2614 109.8302 -206513.2389 17704.9286 0.0000 0.0000 34331.2147 -149614.4760 299.8230 -183945.6907 -149520.5873 297.9341 -108.9656 -75.5845 557994.6315 -19.2205 -19.2594 PRESSURE: 3593800 -37.4979 -98.6312 56.1261 -98.6302 -338.065 -70.9186 56.1259 -70.9184 -44.0209 GPRESSURE: 3593800 -1.17139 -106.755 34.1421 -81.2741 -311.506 -22.1221 -3.86777 -77.689 -18.4691 PRESSAVG: 3593800 -16.7527 -16.936 0.597749 -16.936 -8.25111 55.1929 0.597802 55.1928 55.8305 GPRESSAVG: 3593800 -16.897 -17.2941 1.09525 -16.1962 -8.39294 55.5748 1.64976 54.7291 56.595 TIMING: 3593800 CPU: 10437.8, 0.00295426/step Wall: 10437.8, 0.00295426/step, 1.15397 hours remaining, 207.316406 MB of memory in use. ENERGY: 3593800 723.1713 2097.5096 1965.0403 113.7986 -206504.8544 17821.8170 0.0000 0.0000 34243.7161 -149539.8015 299.0589 -183783.5177 -149445.3082 298.0684 -139.8611 -110.3822 557070.7605 10.2756 10.4350 PRESSURE: 3594000 -114.198 69.9093 -79.5975 69.909 45.5225 -75.0505 -79.5964 -75.0492 -26.5645 GPRESSURE: 3594000 -62.4545 126.015 9.61086 55.9095 48.0276 19.3588 -41.7126 -72.2684 8.97268 PRESSAVG: 3594000 -11.2094 40.6511 -10.4286 40.6512 -17.1182 44.18 -10.4285 44.1799 27.7269 GPRESSAVG: 3594000 -11.3115 41.2544 -10.175 38.955 -17.9416 45.9288 -12.0433 44.644 27.9797 TIMING: 3594000 CPU: 10438.4, 0.00296699/step Wall: 10438.4, 0.00296699/step, 1.15878 hours remaining, 207.316406 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: 3594000 732.3543 2095.5825 1942.5980 126.0045 -206081.8298 17683.4636 0.0000 0.0000 34026.2007 -149475.6263 297.1593 -183501.8269 -149375.4672 298.3552 -31.7468 -1.8181 556265.0769 -0.2002 -0.4245 PRESSURE: 3594200 47.8039 98.2812 -171.068 98.2817 63.8435 -75.1264 -171.068 -75.125 -122.282 GPRESSURE: 3594200 103.412 85.2659 -294.122 121.853 82.1184 -99.936 -88.0378 -9.43822 -96.2772 PRESSAVG: 3594200 -64.8228 28.3369 27.3867 28.3368 41.4253 -2.43711 27.3866 -2.43713 -2.55724 GPRESSAVG: 3594200 -64.436 27.115 26.6908 30.7569 42.5463 -2.02925 26.5995 -1.51491 -3.67369 TIMING: 3594200 CPU: 10439, 0.00292768/step Wall: 10439, 0.00292768/step, 1.14326 hours remaining, 207.316406 MB of memory in use. ENERGY: 3594200 736.4077 2069.0021 1953.5930 110.1874 -206260.0430 17800.9335 0.0000 0.0000 34101.4852 -149488.4342 297.8168 -183589.9194 -149394.3702 298.1269 -3.5448 29.7510 556932.3462 -8.6516 -8.5211 PRESSURE: 3594400 60.9247 75.7294 -265.823 75.7294 177.12 89.4175 -265.822 89.4163 201.85 GPRESSURE: 3594400 60.7827 128.302 -217.783 69.4502 235.336 135.131 -234.962 34.1693 242.784 PRESSAVG: 3594400 -81.2111 70.5214 -48.5704 70.5213 60.9759 39.672 -48.5704 39.672 -18.2629 GPRESSAVG: 3594400 -81.5174 71.7741 -47.8771 70.9079 61.3446 37.8611 -47.1296 38.1445 -18.236 TIMING: 3594400 CPU: 10439.6, 0.00295576/step Wall: 10439.6, 0.00295576/step, 1.15406 hours remaining, 207.316406 MB of memory in use. ENERGY: 3594400 743.9315 2173.4101 1951.7208 117.5177 -206387.3341 17938.5602 0.0000 0.0000 34039.1988 -149422.9950 297.2728 -183462.1938 -149328.4933 298.6979 146.6314 179.6341 556551.7612 -12.8327 -12.8029 PRESSURE: 3594600 84.1013 112 -105.508 111.999 -49.4258 9.7965 -105.508 9.79657 -159.754 GPRESSURE: 3594600 66.0876 30.0871 -201.008 109.461 5.63142 -14.3559 -118.057 16.5159 -104.193 PRESSAVG: 3594600 -75.5126 68.3304 -20.1743 68.3303 23.6175 23.6915 -20.1744 23.6915 50.9597 GPRESSAVG: 3594600 -75.0106 68.3944 -20.6204 67.8506 22.4703 22.9643 -19.9333 25.55 51.6674 TIMING: 3594600 CPU: 10440.2, 0.0029597/step Wall: 10440.2, 0.0029597/step, 1.15543 hours remaining, 207.316406 MB of memory in use. ENERGY: 3594600 764.2608 2142.7133 1962.4650 114.7573 -206458.9016 17916.0505 0.0000 0.0000 34169.9440 -149388.7106 298.4146 -183558.6546 -149300.9998 298.3548 -41.6928 -10.8247 557206.8948 -0.3118 -0.2910 PRESSURE: 3594800 10.4917 -37.6292 116.374 -37.6294 -56.5939 -15.0318 116.373 -15.0313 -138.063 GPRESSURE: 3594800 27.966 43.3223 158.951 38.7706 -54.0277 -52.9827 127.32 7.5343 -63.9577 PRESSAVG: 3594800 -29.5868 3.13001 -9.97823 3.13 1.64692 -11.2956 -9.97815 -11.2954 38.1795 GPRESSAVG: 3594800 -30.6762 2.49012 -8.65029 2.38801 2.83063 -9.79641 -11.3553 -11.2267 37.8547 TIMING: 3594800 CPU: 10440.8, 0.00297075/step Wall: 10440.8, 0.00297075/step, 1.15958 hours remaining, 207.316406 MB of memory in use. ENERGY: 3594800 740.3945 2101.9829 1949.7833 119.6536 -206624.9804 18021.5647 0.0000 0.0000 34243.2599 -149448.3415 299.0549 -183691.6013 -149353.1687 299.2377 -61.3885 -30.0065 556360.9943 3.4132 3.3364 PRESSURE: 3595000 -15.6637 224.13 170.403 224.13 -179.969 119.771 170.403 119.772 -193.677 GPRESSURE: 3595000 -42.5844 196.852 228.571 148.653 -169.928 75.0366 190.122 141.627 -95.5198 PRESSAVG: 3595000 17.0625 30.3461 27.967 30.3462 -16.1858 24.9839 27.9669 24.9839 19.2708 GPRESSAVG: 3595000 16.5002 30.7087 25.7759 32.3536 -17.4326 25.2671 28.6599 23.788 20.8206 TIMING: 3595000 CPU: 10441.4, 0.00293194/step Wall: 10441.4, 0.00293194/step, 1.14427 hours remaining, 207.316406 MB of memory in use. ENERGY: 3595000 745.6216 2128.5488 1952.7245 112.7376 -206064.9092 17644.5839 0.0000 0.0000 34194.3213 -149286.3716 298.6275 -183480.6929 -149184.0305 299.1824 -129.7698 -102.6774 555976.2576 6.7158 6.6294 PRESSURE: 3595200 152.815 72.3018 26.7616 72.3027 301.065 77.9778 26.7616 77.9791 -37.2192 GPRESSURE: 3595200 185.794 35.4314 71.9392 128.21 298.456 45.9126 85.1948 124.861 35.8412 PRESSAVG: 3595200 75.0831 22.914 35.143 22.9141 -8.81012 36.56 35.143 36.5598 -8.31683 GPRESSAVG: 3595200 76.6508 21.8521 36.5155 21.1537 -7.91007 34.3221 35.7923 37.2145 -10.3196 TIMING: 3595200 CPU: 10441.9, 0.00293951/step Wall: 10441.9, 0.00293951/step, 1.14706 hours remaining, 207.316406 MB of memory in use. ENERGY: 3595200 744.7674 2077.5951 1961.8972 108.3180 -206313.5784 17949.3718 0.0000 0.0000 34206.9157 -149264.7132 298.7375 -183471.6289 -149164.7992 299.6664 138.8868 173.3637 555722.4580 19.3187 19.4737 PRESSURE: 3595400 -91.1284 -7.28653 -56.4945 -7.28608 -197.25 -39.2212 -56.4939 -39.2214 -241.854 GPRESSURE: 3595400 -36.6789 22.9306 -53 -31.8455 -164.629 7.03159 -72.6478 -99.115 -224.68 PRESSAVG: 3595400 23.846 24.2868 -33.774 24.2868 27.8921 -4.73814 -33.7739 -4.73812 -41.9346 GPRESSAVG: 3595400 24.1048 26.0879 -33.8855 24.5463 26.1207 -2.89968 -33.7985 -4.97246 -40.2868 TIMING: 3595400 CPU: 10442.5, 0.00291728/step Wall: 10442.5, 0.00291728/step, 1.13822 hours remaining, 207.316406 MB of memory in use. ENERGY: 3595400 735.9861 2095.9364 1965.9151 115.1598 -205979.7790 17650.2991 0.0000 0.0000 34227.6535 -149188.8289 298.9186 -183416.4824 -149092.8343 299.1706 -176.7441 -141.9960 558185.9721 3.2679 3.3129 PRESSURE: 3595600 -198.74 -91.5482 -108.818 -91.5486 173.799 -78.4875 -108.817 -78.4869 -318.198 GPRESSURE: 3595600 -185.918 -90.0955 -152.499 -100.268 186.741 -91.526 -56.4691 -131.138 -246.253 PRESSAVG: 3595600 -24.9061 4.19071 -21.4078 4.19073 69.7706 32.2907 -21.4077 32.2907 -12.1136 GPRESSAVG: 3595600 -25.0652 2.60512 -21.1586 5.69095 70.3106 32.3388 -20.419 32.9649 -12.8491 TIMING: 3595600 CPU: 10443.1, 0.00291967/step Wall: 10443.1, 0.00291967/step, 1.13899 hours remaining, 207.316406 MB of memory in use. ENERGY: 3595600 771.9384 2152.5204 1941.6593 106.4777 -205926.9622 17681.3013 0.0000 0.0000 34097.6341 -149175.4311 297.7831 -183273.0652 -149078.5586 299.6589 -114.3799 -81.8100 557857.6878 10.9170 10.7988 PRESSURE: 3595800 -183.657 -5.28995 38.9883 -5.28965 -192.974 73.7004 38.9872 73.7009 -173.975 GPRESSURE: 3595800 -193.627 30.2377 23.5396 -28.9985 -128.399 123.044 -0.25232 78.2701 -130.447 PRESSAVG: 3595800 44.4967 -28.6226 14.2069 -28.6226 72.9525 -2.0125 14.2068 -2.01242 -61.8988 GPRESSAVG: 3595800 43.4025 -27.5911 12.8055 -31.188 74.5913 -0.496388 14.0241 -4.06525 -62.1012 TIMING: 3595800 CPU: 10443.7, 0.00294963/step Wall: 10443.7, 0.00294963/step, 1.15052 hours remaining, 207.316406 MB of memory in use. ENERGY: 3595800 709.1909 2085.2070 2007.8106 117.6247 -205897.9728 17635.1952 0.0000 0.0000 34505.7745 -148837.1698 301.3475 -183342.9443 -148743.0545 299.6678 -183.5354 -150.8247 559636.9895 18.5168 18.6309 PRESSURE: 3596000 -302.123 -20.9974 -195.922 -20.9975 -231.9 77.5841 -195.922 77.5836 73.1305 GPRESSURE: 3596000 -230.653 -36.6412 -149.923 -66.4955 -184.491 112.266 -188.509 36.7346 45.6354 PRESSAVG: 3596000 -38.193 -49.5056 -18.9905 -49.5055 61.5824 -11.509 -18.9905 -11.5091 -47.0741 GPRESSAVG: 3596000 -38.2115 -49.8958 -17.6469 -50.0068 60.9511 -13.015 -20.1338 -10.1855 -46.9716 TIMING: 3596000 CPU: 10444.3, 0.00293177/step Wall: 10444.3, 0.00293177/step, 1.14339 hours remaining, 207.316406 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: 3596000 732.0079 2117.0473 1973.7805 113.6307 -205820.4659 17476.6229 0.0000 0.0000 34557.1619 -148850.2147 301.7963 -183407.3767 -148748.5461 300.2859 -153.6309 -123.1693 558484.0034 -7.8949 -8.0773 PRESSURE: 3596200 -105.135 -9.21669 -18.9747 -9.21733 -127.01 70.7315 -18.9755 70.7314 147.74 GPRESSURE: 3596200 -90.7839 69.3228 -19.7995 -45.8977 -50.3938 26.158 -11.4552 64.47 159.508 PRESSAVG: 3596200 -6.99631 54.4164 35.6398 54.4163 -33.271 -30.3178 35.6398 -30.3178 23.5582 GPRESSAVG: 3596200 -7.10407 53.5491 35.4065 53.3217 -32.9456 -30.8159 35.4879 -29.9478 22.8699 TIMING: 3596200 CPU: 10444.9, 0.00294851/step Wall: 10444.9, 0.00294851/step, 1.14976 hours remaining, 207.316406 MB of memory in use. ENERGY: 3596200 770.9719 2083.6512 1949.4889 117.5840 -205985.8875 17717.7030 0.0000 0.0000 34593.8552 -148752.6333 302.1167 -183346.4885 -148661.5521 300.4633 -28.1353 6.1100 557251.1354 -5.5697 -5.7266 LDB: ============= START OF LOAD BALANCING ============== 10448.3 LDB: ============== END OF LOAD BALANCING =============== 10448.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10448.3 LDB: ============= START OF LOAD BALANCING ============== 10448.6 LDB: Largest compute 4820 load 0.033358 is 28.3% of average load 0.117819 LDB: Average compute 0.001732 is 1.5% of average load 0.117819 LDB: TIME 10448.6 LOAD: AVG 0.117819 MAX 0.180271 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.18 MB LDB: TIME 10448.6 LOAD: AVG 0.117819 MAX 0.180271 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: TIME 10448.6 LOAD: AVG 0.117819 MAX 0.180271 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.25 MB LDB: ============== END OF LOAD BALANCING =============== 10448.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10448.6 PRESSURE: 3596400 -173.676 24.4548 -12.7979 24.4537 87.5653 -158.839 -12.7967 -158.837 -107.107 GPRESSURE: 3596400 -189.78 8.13583 12.5957 34.483 70.4498 -144.813 -40.59 -152.018 19.8787 PRESSAVG: 3596400 -39.1401 12.7531 15.2309 12.753 -21.3628 -34.0387 15.2309 -34.0386 40.5961 GPRESSAVG: 3596400 -39.2185 13.0671 15.5442 12.786 -21.7293 -33.0981 16.9433 -34.6633 41.4086 TIMING: 3596400 CPU: 10445.5, 0.0029803/step Wall: 10445.5, 0.0029803/step, 1.16199 hours remaining, 209.546875 MB of memory in use. ENERGY: 3596400 738.7340 2039.0675 1955.7421 122.5613 -205416.4945 17511.7923 0.0000 0.0000 34378.7474 -148669.8499 300.2382 -183048.5973 -148565.9865 300.1832 -64.4060 -33.1506 558199.6673 -6.6356 -6.5131 PRESSURE: 3596600 -250.036 57.9601 -12.5894 57.9602 -160.402 31.0738 -12.5896 31.0748 35.5259 GPRESSURE: 3596600 -212.521 53.9949 -5.27083 25.6789 -105.517 -29.8251 -11.4359 62.7685 57.9821 PRESSAVG: 3596600 -14.2537 -67.2167 -0.777239 -67.2168 5.13765 -71.6908 -0.777219 -71.6909 22.5351 GPRESSAVG: 3596600 -13.599 -65.4766 0.00294851 -66.8683 4.39794 -73.2794 -3.56874 -69.4473 22.3014 TIMING: 3596600 CPU: 10446.1, 0.00295171/step Wall: 10446.1, 0.00295171/step, 1.15068 hours remaining, 209.750000 MB of memory in use. ENERGY: 3596600 781.0799 2120.2546 1958.9267 113.1717 -205850.7288 17744.2322 0.0000 0.0000 34491.6918 -148641.3718 301.2245 -183133.0636 -148537.8330 300.7255 -124.9708 -86.6853 557806.2733 4.4730 4.3668 PRESSURE: 3596800 -84.6982 48.616 -70.5163 48.6159 -95.5922 36.7701 -70.5172 36.7721 44.1 GPRESSURE: 3596800 -77.1888 -22.9131 -66.8076 41.9406 -77.9178 86.1906 -91.5432 33.477 112.452 PRESSAVG: 3596800 -14.4041 -27.652 0.761876 -27.6521 7.63377 -39.5354 0.761702 -39.5355 48.7346 GPRESSAVG: 3596800 -14.5966 -30.4667 1.2036 -25.5595 8.55573 -37.8899 1.44752 -41.9259 47.9247 TIMING: 3596800 CPU: 10446.7, 0.00295948/step Wall: 10446.7, 0.00295948/step, 1.15354 hours remaining, 209.750000 MB of memory in use. ENERGY: 3596800 739.4197 2046.2651 1960.7899 123.9311 -205681.1434 17729.8661 0.0000 0.0000 34399.6165 -148681.2551 300.4204 -183080.8716 -148594.9192 300.8910 -45.3968 -14.2181 557967.5841 13.9881 13.9613 PRESSURE: 3597000 -33.9805 -124.802 -2.14793 -124.804 65.5824 -79.9924 -2.14834 -79.9955 -131.174 GPRESSURE: 3597000 -15.6703 -67.9455 7.89568 -191.958 54.6651 -85.5322 1.90794 13.9441 -46.2461 PRESSAVG: 3597000 -33.401 -43.9869 11.6177 -43.9869 44.9766 20.7254 11.6178 20.7253 -30.3536 GPRESSAVG: 3597000 -34.0093 -41.4563 10.1401 -46.185 45.1972 20.2314 13.5347 22.0562 -30.0066 TIMING: 3597000 CPU: 10447.2, 0.0029318/step Wall: 10447.2, 0.0029318/step, 1.14259 hours remaining, 209.750000 MB of memory in use. ENERGY: 3597000 741.2105 2114.6156 1961.3192 113.6258 -205733.1560 17707.3154 0.0000 0.0000 34465.5334 -148629.5362 300.9961 -183095.0696 -148529.7662 300.7030 -33.1907 -2.4171 557634.8446 -6.2593 -6.2729 PRESSURE: 3597200 115.254 75.1884 38.9797 75.1882 -127.435 50.8268 38.9806 50.8266 -306.17 GPRESSURE: 3597200 151.022 37.503 93.0358 25.6773 -121.705 172.571 -3.71422 38.5529 -252.87 PRESSAVG: 3597200 37.3587 1.11732 -0.99174 1.11722 -7.59308 38.5702 -0.991765 38.5703 -85.6559 GPRESSAVG: 3597200 37.0354 1.29274 -1.9976 0.803526 -7.96034 39.299 -2.28685 37.4134 -84.9354 TIMING: 3597200 CPU: 10447.8, 0.00294689/step Wall: 10447.8, 0.00294689/step, 1.1483 hours remaining, 209.750000 MB of memory in use. ENERGY: 3597200 801.4387 2068.2215 1974.8076 119.9931 -205880.4944 17710.5649 0.0000 0.0000 34443.6501 -148761.8185 300.8050 -183205.4686 -148664.7425 301.1388 -106.1170 -74.5176 558969.5971 -18.6301 -18.6201 PRESSURE: 3597400 49.5289 17.8647 -7.0014 17.8637 -10.8938 -45.493 -7.00231 -45.4932 -173.397 GPRESSURE: 3597400 111.356 -51.9871 75.8828 35.9242 24.449 7.47943 -68.736 37.4602 -186.946 PRESSAVG: 3597400 51.5407 11.3182 -5.83527 11.3182 -54.2241 19.4098 -5.83522 19.4099 -0.164576 GPRESSAVG: 3597400 52.7911 10.67 -7.75079 12.9844 -53.396 19.1872 -5.18188 20.1652 -2.39562 TIMING: 3597400 CPU: 10448.4, 0.00297867/step Wall: 10448.4, 0.00297867/step, 1.16052 hours remaining, 209.750000 MB of memory in use. ENERGY: 3597400 739.3140 2133.6236 1963.0265 123.3270 -205642.0953 17656.9822 0.0000 0.0000 34325.9920 -148699.8299 299.7774 -183025.8219 -148608.0062 301.0169 -44.9206 -17.0470 558800.3340 -0.9493 -1.0002 PRESSURE: 3597600 -1.38636 -186.972 -241.783 -186.972 2.76931 82.8992 -241.781 82.898 -101.286 GPRESSURE: 3597600 50.145 -103.555 -240.039 -237.371 35.4314 175.409 -248.049 22.7499 -85.8288 PRESSAVG: 3597600 33.3918 32.9363 -13.3814 32.9363 -4.29673 28.3089 -13.3813 28.3089 -45.1267 GPRESSAVG: 3597600 33.5449 32.798 -12.5023 32.3086 -4.82241 29.4238 -12.9195 26.6743 -44.4346 TIMING: 3597600 CPU: 10449, 0.00293849/step Wall: 10449, 0.00293849/step, 1.1447 hours remaining, 209.750000 MB of memory in use. ENERGY: 3597600 743.5759 2104.2347 1958.4465 109.0836 -205999.9617 17797.2600 0.0000 0.0000 34226.0901 -149061.2709 298.9050 -183287.3610 -148977.2981 299.9193 -33.3010 -0.0841 557702.7505 -5.3439 -5.2374 PRESSURE: 3597800 192.109 -34.1416 -33.0035 -34.1416 -24.1791 67.829 -33.0027 67.8299 82.136 GPRESSURE: 3597800 262.658 -52.8002 79.7784 7.80681 29.8945 3.20316 -76.452 38.9873 52.235 PRESSAVG: 3597800 63.4055 5.98512 -51.4202 5.9851 -27.1982 -41.2554 -51.4202 -41.2553 -25.4143 GPRESSAVG: 3597800 63.0204 4.437 -49.5302 7.00257 -26.4961 -41.7977 -52.5215 -41.7858 -25.9672 TIMING: 3597800 CPU: 10449.6, 0.00291833/step Wall: 10449.6, 0.00291833/step, 1.13669 hours remaining, 209.800781 MB of memory in use. ENERGY: 3597800 722.6603 2099.4110 1951.0740 102.1473 -206023.3148 17809.1971 0.0000 0.0000 34184.2120 -149154.6130 298.5392 -183338.8251 -149058.7464 299.2286 83.3552 114.9290 556061.3270 3.5977 3.5190 PRESSURE: 3598000 -80.6347 -33.7635 62.3998 -33.7626 -201.069 -104.033 62.399 -104.032 -42.3418 GPRESSURE: 3598000 -44.4207 -71.5065 122.656 -20.8496 -177.776 -180.824 47.8985 -31.3303 4.89482 PRESSAVG: 3598000 -10.746 -60.5778 -8.46377 -60.5777 -38.0917 -16.7927 -8.46385 -16.7928 64.1171 GPRESSAVG: 3598000 -12.3043 -60.4368 -7.76148 -59.452 -38.275 -15.998 -9.47812 -16.3026 66.5002 TIMING: 3598000 CPU: 10450.2, 0.00294147/step Wall: 10450.2, 0.00294147/step, 1.14554 hours remaining, 209.800781 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: 3598000 744.1232 2087.1435 1971.5660 94.8767 -205924.5791 17547.8961 0.0000 0.0000 34431.4575 -149047.5160 300.6985 -183478.9735 -148956.8938 299.7685 -108.0152 -72.4340 557480.3241 5.0931 5.3070 PRESSURE: 3598200 122.014 -93.402 16.3976 -93.4029 -191.962 10.0499 16.3971 10.0513 130.553 GPRESSURE: 3598200 159.231 -117.701 -49.8617 -100.868 -152.535 65.3618 30.7115 -10.7536 151.561 PRESSAVG: 3598200 -28.1153 -33.408 35.7999 -33.4079 -40.336 -49.8962 35.7999 -49.8961 56.4654 GPRESSAVG: 3598200 -26.8833 -34.0466 34.8671 -35.1092 -40.1797 -52.5149 36.2082 -49.0483 54.6895 TIMING: 3598200 CPU: 10450.8, 0.0029118/step Wall: 10450.8, 0.00291179/step, 1.13382 hours remaining, 209.800781 MB of memory in use. ENERGY: 3598200 728.8023 2049.8705 1953.3254 117.4473 -206037.1447 17750.8524 0.0000 0.0000 34323.9451 -149112.9018 299.7595 -183436.8469 -149020.1415 299.5749 20.2019 52.7523 557913.7060 -3.9953 -4.1245 PRESSURE: 3598400 161.281 125.306 -7.07455 125.306 -159.151 141.946 -7.07426 141.948 -33.0641 GPRESSURE: 3598400 185.525 35.6477 -17.4094 178.954 -151.617 182.591 33.5696 136.868 21.3936 PRESSAVG: 3598400 26.6697 -20.3878 -26.464 -20.3878 -93.8967 -16.523 -26.464 -16.523 55.8023 GPRESSAVG: 3598400 26.3931 -20.3532 -26.4647 -19.1983 -93.6528 -18.1461 -23.349 -16.163 56.3227 TIMING: 3598400 CPU: 10451.4, 0.00299516/step Wall: 10451.4, 0.00299516/step, 1.16611 hours remaining, 209.800781 MB of memory in use. ENERGY: 3598400 725.5444 2092.7316 1938.3810 111.0728 -205924.4181 17798.1642 0.0000 0.0000 34202.0252 -149056.4988 298.6948 -183258.5240 -148954.7194 299.6698 -10.3113 18.4338 557690.3723 -3.8082 -3.6457 PRESSURE: 3598600 -11.9902 -75.111 -28.5687 -75.1096 150.995 -179.914 -28.5689 -179.916 52.3931 GPRESSURE: 3598600 -9.03968 -79.7752 -38.7143 -127.105 198.644 -298.597 -74.9024 -106.665 85.2209 PRESSAVG: 3598600 43.787 34.6986 -3.06119 34.6986 -83.2418 -35.3783 -3.06118 -35.3784 9.75206 GPRESSAVG: 3598600 44.1548 35.5257 -2.62629 33.1149 -82.7353 -33.5539 -6.62766 -33.327 8.89837 TIMING: 3598600 CPU: 10452, 0.00293889/step Wall: 10452, 0.00293889/step, 1.14405 hours remaining, 209.800781 MB of memory in use. ENERGY: 3598600 752.8284 2040.8040 1930.8645 114.5373 -205828.4256 17844.5480 0.0000 0.0000 34048.2495 -149096.5939 297.3518 -183144.8434 -149004.6794 298.9846 63.7992 91.6085 557194.6436 -9.9009 -9.8941 PRESSURE: 3598800 53.8498 10.5365 -43.9687 10.5367 -109.113 -86.6771 -43.9692 -86.6775 -93.4446 GPRESSURE: 3598800 48.9931 12.8207 -12.1605 21.5994 -60.1794 -129.374 -51.0925 23.9181 -50.8215 PRESSAVG: 3598800 -10.6588 13.9688 -9.61092 13.9689 28.4606 9.68389 -9.61084 9.68388 17.819 GPRESSAVG: 3598800 -10.1964 13.8021 -9.794 11.6314 27.3869 8.65491 -7.9743 6.91188 18.029 TIMING: 3598800 CPU: 10452.5, 0.00294745/step Wall: 10452.5, 0.00294745/step, 1.14721 hours remaining, 209.800781 MB of memory in use. ENERGY: 3598800 741.2629 2092.3492 1961.9777 116.7776 -205793.7133 17655.5508 0.0000 0.0000 34083.0511 -149142.7440 297.6558 -183225.7951 -149055.1047 299.6372 -49.5692 -20.6693 557816.8296 11.8736 11.7398 PRESSURE: 3599000 -382.103 342.558 -17.0847 342.558 -15.3347 -35.4726 -17.0839 -35.4727 69.1357 GPRESSURE: 3599000 -303.63 294.402 -86.6738 304.871 -31.0339 -34.0554 -37.9481 5.28828 97.3351 PRESSAVG: 3599000 21.11 32.9462 -20.3742 32.9462 77.3563 -21.8168 -20.3741 -21.8169 -76.1883 GPRESSAVG: 3599000 20.1853 32.364 -20.1882 36.6751 77.1158 -21.7979 -20.086 -21.518 -75.7195 TIMING: 3599000 CPU: 10453.1, 0.00293632/step Wall: 10453.1, 0.00293632/step, 1.14272 hours remaining, 209.800781 MB of memory in use. ENERGY: 3599000 741.0714 2054.0589 1970.6319 104.4075 -206041.3140 17749.6811 0.0000 0.0000 34282.3975 -149139.0656 299.3967 -183421.4631 -149035.4188 299.1001 -109.4340 -79.1097 558091.7172 7.4260 7.1939 PRESSURE: 3599200 -97.6681 -108.402 16.108 -108.401 35.685 51.5887 16.1082 51.5891 -218.037 GPRESSURE: 3599200 -111.827 -78.0083 10.9123 -200.568 52.8018 19.6484 47.0285 35.9091 -120.701 PRESSAVG: 3599200 -53.4454 -6.26252 -37.2296 -6.26263 11.1482 -16.0368 -37.2297 -16.0369 -14.338 GPRESSAVG: 3599200 -52.8599 -6.22218 -38.2116 -7.28675 10.9393 -14.8757 -36.9664 -15.7923 -14.642 TIMING: 3599200 CPU: 10453.7, 0.00292001/step Wall: 10453.7, 0.00292001/step, 1.13621 hours remaining, 209.800781 MB of memory in use. ENERGY: 3599200 714.3594 2135.4478 1956.3673 116.7674 -206068.8604 17675.7230 0.0000 0.0000 34212.4735 -149257.7220 298.7860 -183470.1955 -149157.4583 299.4141 -93.3400 -59.9088 557476.9205 -18.8784 -18.8542 PRESSURE: 3599400 -183.826 -134.787 16.9343 -134.786 -107.077 33.152 16.9353 33.1518 -338.566 GPRESSURE: 3599400 -158.436 -146.293 -26.0196 -98.9899 -165.233 62.6267 9.63023 15.1877 -211.242 PRESSAVG: 3599400 29.7211 -58.3074 -28.2754 -58.3075 0.0574721 -5.49101 -28.2754 -5.49096 -25.8749 GPRESSAVG: 3599400 29.6043 -56.4455 -28.6136 -57.7487 0.310263 -6.8669 -27.9384 -3.47975 -26.4654 TIMING: 3599400 CPU: 10454.3, 0.0029365/step Wall: 10454.3, 0.0029365/step, 1.14246 hours remaining, 209.800781 MB of memory in use. ENERGY: 3599400 765.6178 2080.7608 1949.0736 124.6146 -205984.8343 17582.0123 0.0000 0.0000 34324.0999 -149158.6551 299.7609 -183482.7551 -149064.8406 299.5857 -209.8229 -178.3037 557111.2336 1.3012 1.1497 PRESSURE: 3599600 123.484 177.551 -2.15008 177.551 -315.168 123.246 -2.14944 123.246 -260.797 GPRESSURE: 3599600 124.666 184.553 36.1216 142.764 -263.173 100.254 69.3484 176.855 -221.638 PRESSAVG: 3599600 -0.221848 -11.2991 17.4245 -11.2991 57.6661 29.6629 17.4244 29.6629 -8.81712 GPRESSAVG: 3599600 0.20575 -12.512 17.1813 -13.7766 58.0822 30.8706 14.2283 28.6583 -9.62871 TIMING: 3599600 CPU: 10454.9, 0.00294097/step Wall: 10454.9, 0.00294097/step, 1.14404 hours remaining, 210.003906 MB of memory in use. ENERGY: 3599600 806.0852 2119.9614 1932.0276 96.8775 -205894.3475 17639.4023 0.0000 0.0000 34078.8859 -149221.1076 297.6194 -183299.9935 -149137.2776 299.9837 -150.8272 -120.0482 558104.3502 16.2091 16.2197 PRESSURE: 3599800 159.972 -104.249 -79.2774 -104.249 168.428 -106.369 -79.2778 -106.369 25.8584 GPRESSURE: 3599800 195.89 -164.141 -101.715 -22.5661 175.162 -222.545 -9.74489 -120.626 74.3135 PRESSAVG: 3599800 -16.0926 -2.85409 -16.8028 -2.85408 76.3008 15.1512 -16.8028 15.1512 -58.3601 GPRESSAVG: 3599800 -16.7429 -1.68934 -16.4799 -2.7007 75.9783 16.0646 -14.9168 12.1807 -58.4248 TIMING: 3599800 CPU: 10455.5, 0.00292901/step Wall: 10455.5, 0.00292901/step, 1.13922 hours remaining, 210.003906 MB of memory in use. ENERGY: 3599800 769.3745 2075.5076 1966.0465 112.3089 -205992.4941 17840.9796 0.0000 0.0000 34013.9866 -149214.2906 297.0526 -183228.2771 -149119.7343 299.4641 118.0862 148.4552 557133.3373 0.6160 0.2702 PRESSURE: 3600000 4.12766 -60.5504 162.288 -60.5494 -50.6643 -123.542 162.288 -123.543 -163.362 GPRESSURE: 3600000 22.1374 -140.62 137.214 -62.4489 -42.8494 -153.352 120.177 -123.019 -94.1989 PRESSAVG: 3600000 -25.8055 -25.8847 2.5207 -25.8847 75.3346 -4.28874 2.52068 -4.28882 -54.9995 GPRESSAVG: 3600000 -27.2919 -26.3995 2.08609 -24.8521 75.1901 -6.10149 2.9123 -0.836929 -53.968 TIMING: 3600000 CPU: 10456.1, 0.00294634/step Wall: 10456.1, 0.00294634/step, 1.1458 hours remaining, 210.003906 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: 3600000 753.7536 2087.8213 1961.5570 116.0026 -206390.1533 17767.8363 0.0000 0.0000 34398.4340 -149304.7486 300.4101 -183703.1826 -149207.3505 299.8349 -69.9663 -38.3037 557546.0638 -1.8235 -2.0233 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.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 46.8595 18.3705 -144.669 18.3708 -66.5449 -67.5279 -144.669 -67.5282 -191.122 GPRESSURE: 3600200 57.9519 2.5114 -87.3293 47.8135 -80.9204 -23.8647 -152.791 -34.391 -89.932 PRESSAVG: 3600200 -2.10308 -23.7837 -9.86627 -23.7837 53.5698 18.52 -9.8661 18.5199 -55.3932 GPRESSAVG: 3600200 -1.24541 -21.9157 -10.3793 -23.8318 52.8471 18.6805 -9.6638 18.2522 -55.5359 TIMING: 3600200 CPU: 10456.7, 0.00336558/step Wall: 10456.7, 0.00336558/step, 1.30865 hours remaining, 210.003906 MB of memory in use. ENERGY: 3600200 766.3363 2084.3799 1981.7924 109.7870 -205869.4388 17673.0349 0.0000 0.0000 33970.7395 -149283.3688 296.6749 -183254.1083 -149185.8933 299.2532 -70.2692 -37.6335 558158.4113 -1.3088 -1.3114 LDB: ============= START OF LOAD BALANCING ============== 10460.2 LDB: ============== END OF LOAD BALANCING =============== 10460.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10460.2 LDB: ============= START OF LOAD BALANCING ============== 10460.5 LDB: Largest compute 4820 load 0.031233 is 26.5% of average load 0.117825 LDB: Average compute 0.001733 is 1.5% of average load 0.117825 LDB: TIME 10460.5 LOAD: AVG 0.117825 MAX 0.179092 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 10460.5 LOAD: AVG 0.117825 MAX 0.179092 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: TIME 10460.5 LOAD: AVG 0.117825 MAX 0.179092 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10460.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10460.5 PRESSURE: 3600400 -46.1439 96.401 145.416 96.401 284.969 -104.576 145.418 -104.576 -177.885 GPRESSURE: 3600400 22.7198 192.903 121.563 181.707 274.092 -94.9465 204.999 -236.932 -140.127 PRESSAVG: 3600400 -33.9486 46.488 -56.9296 46.4881 82.3114 -93.3709 -56.9296 -93.371 -41.5569 GPRESSAVG: 3600400 -34.8503 46.2945 -55.2107 46.8228 83.6079 -89.5048 -56.2874 -96.8603 -42.5183 TIMING: 3600400 CPU: 10457.3, 0.00298624/step Wall: 10457.3, 0.00298624/step, 1.16098 hours remaining, 207.914062 MB of memory in use. ENERGY: 3600400 735.7192 2104.1267 1975.6586 109.0285 -206418.4649 17841.6107 0.0000 0.0000 34268.5600 -149383.7611 299.2759 -183652.3212 -149296.5716 299.1411 20.3131 52.2284 557122.1587 2.2686 2.0798 PRESSURE: 3600600 -197.315 -5.77811 -43.0684 -5.77803 -194.629 -113.951 -43.0681 -113.951 133.508 GPRESSURE: 3600600 -187.627 -69.6324 39.9687 15.7453 -113.41 20.4784 -119.616 -216.513 133.617 PRESSAVG: 3600600 20.3573 31.1934 32.5935 31.1934 45.28 -30.918 32.5936 -30.9181 -55.4305 GPRESSAVG: 3600600 20.9383 29.1594 33.7127 32.2926 44.8497 -33.6005 32.2035 -28.9695 -55.3375 TIMING: 3600600 CPU: 10457.9, 0.00291974/step Wall: 10457.9, 0.00291974/step, 1.13497 hours remaining, 207.914062 MB of memory in use. ENERGY: 3600600 753.3188 2055.8852 1977.2324 117.0633 -206550.7662 17845.5127 0.0000 0.0000 34343.0652 -149458.6888 299.9265 -183801.7540 -149355.4631 298.9897 -86.1452 -55.8070 557410.9447 3.4022 3.4835 PRESSURE: 3600800 -73.5341 -6.90658 -42.9861 -6.90728 -5.47732 177.056 -42.9851 177.056 43.7909 GPRESSURE: 3600800 -99.7615 -29.0129 -92.0806 51.2167 54.4834 100.173 -105.939 176.328 114.299 PRESSAVG: 3600800 4.19405 34.768 -35.7077 34.7679 26.9563 46.3075 -35.7077 46.3076 -17.5484 GPRESSAVG: 3600800 3.82917 35.2512 -38.0811 35.0615 26.4705 45.7517 -36.7054 45.1285 -16.6935 TIMING: 3600800 CPU: 10458.5, 0.0029144/step Wall: 10458.5, 0.0029144/step, 1.13273 hours remaining, 207.914062 MB of memory in use. ENERGY: 3600800 722.2725 2069.2621 1957.8510 115.7171 -206312.0582 17860.7153 0.0000 0.0000 34187.8425 -149398.3976 298.5709 -183586.2401 -149302.9164 298.7767 -11.7402 23.0071 557970.3249 4.5340 4.5354 PRESSURE: 3601000 -106.63 -65.3745 37.7485 -65.3761 -94.7085 -62.6188 37.7487 -62.6197 31.7138 GPRESSURE: 3601000 -102.281 -121.252 98.8889 -146.433 -70.0645 -67.6901 64.7392 9.71904 108.857 PRESSAVG: 3601000 -11.8433 20.1125 -5.31433 20.1125 -28.7447 -15.745 -5.31427 -15.745 41.0117 GPRESSAVG: 3601000 -11.1621 22.311 -4.52295 17.831 -29.3866 -15.3585 -4.53818 -14.332 41.2691 TIMING: 3601000 CPU: 10459.1, 0.00292057/step Wall: 10459.1, 0.00292057/step, 1.13497 hours remaining, 207.914062 MB of memory in use. ENERGY: 3601000 721.2268 2036.0207 1970.7858 120.4538 -206349.3540 17691.4745 0.0000 0.0000 34470.9115 -149338.4809 301.0430 -183809.3924 -149238.6159 298.0333 -56.5417 -21.1628 556743.9854 0.1412 0.2401 PRESSURE: 3601200 228.518 19.0611 -166.709 19.0608 -172.729 32.4035 -166.71 32.4028 25.1983 GPRESSURE: 3601200 272.628 5.95297 -153.657 -94.7082 -109.766 55.4114 -189.16 -42.747 9.57529 PRESSAVG: 3601200 79.3051 25.5363 -20.8962 25.5363 -52.8822 6.85253 -20.8961 6.85254 -68.244 GPRESSAVG: 3601200 79.3873 26.9898 -20.4479 23.4366 -51.3247 7.47904 -19.7429 8.0131 -69.3068 TIMING: 3601200 CPU: 10459.7, 0.00291828/step Wall: 10459.7, 0.00291828/step, 1.13391 hours remaining, 207.914062 MB of memory in use. ENERGY: 3601200 752.7052 2110.5231 1940.4040 111.3219 -206413.5873 17954.6810 0.0000 0.0000 34178.1463 -149365.8057 298.4863 -183543.9521 -149272.7839 299.2127 26.9958 57.4793 556082.9450 -13.9404 -13.7481 PRESSURE: 3601400 93.3719 100.415 63.3814 100.416 326.987 -93.4561 63.3805 -93.4553 117.505 GPRESSURE: 3601400 154.911 67.5659 128.234 125.041 328.379 -96.5447 -33.1921 -114.478 148.712 PRESSAVG: 3601400 64.0491 14.412 -3.19867 14.4121 11.2896 -35.4572 -3.19878 -35.4572 -22.3777 GPRESSAVG: 3601400 65.2823 11.0987 -4.5216 16.7173 10.4527 -35.4265 -3.81318 -35.7786 -22.8955 TIMING: 3601400 CPU: 10460.3, 0.00293725/step Wall: 10460.3, 0.00293725/step, 1.14112 hours remaining, 207.914062 MB of memory in use. ENERGY: 3601400 765.4258 2106.6400 1985.4166 107.6457 -206537.5975 18018.4177 0.0000 0.0000 34199.7722 -149354.2795 298.6751 -183554.0517 -149261.0642 298.4063 179.2877 210.6674 554961.3856 17.6537 17.6132 PRESSURE: 3601600 -117.667 -75.5891 138.617 -75.5887 -237.539 32.1932 138.616 32.1924 -110.452 GPRESSURE: 3601600 -12.6988 -22.1837 133.926 -137.766 -202.618 126.744 164.774 -67.3406 -167.305 PRESSAVG: 3601600 66.8141 3.17792 37.7972 3.17791 -16.031 -63.3455 37.7972 -63.3454 -38.1367 GPRESSAVG: 3601600 66.1212 1.79647 40.0334 5.07055 -15.9768 -64.13 36.5166 -61.5046 -37.6398 TIMING: 3601600 CPU: 10460.8, 0.00290852/step Wall: 10460.8, 0.00290852/step, 1.1298 hours remaining, 207.914062 MB of memory in use. ENERGY: 3601600 732.2450 2051.9930 1981.5159 98.3762 -206061.0960 17551.0582 0.0000 0.0000 34235.6673 -149410.2403 298.9886 -183645.9077 -149315.2937 297.9704 -155.2194 -127.5407 556781.4718 4.2155 4.1682 PRESSURE: 3601800 192.102 -60.0342 -176.984 -60.0346 -4.28821 -54.497 -176.983 -54.4974 -4.15262 GPRESSURE: 3601800 260.462 -121.976 -251.453 -33.8444 8.558 -3.65083 -242.19 -118.951 15.8072 PRESSAVG: 3601800 -3.04098 -64.1357 36.0774 -64.1357 21.2037 -2.41605 36.0775 -2.41618 17.9173 GPRESSAVG: 3601800 -4.13836 -64.419 35.9653 -63.1167 21.3287 -3.20699 37.2067 -3.26278 18.2153 TIMING: 3601800 CPU: 10461.4, 0.00290798/step Wall: 10461.4, 0.00290798/step, 1.12943 hours remaining, 207.914062 MB of memory in use. ENERGY: 3601800 729.2773 2069.6391 1971.7185 107.9551 -206418.5282 17891.5107 0.0000 0.0000 34254.9035 -149393.5240 299.1566 -183648.4275 -149303.7319 298.9943 61.2204 94.9423 556383.2736 12.0267 11.8019 PRESSURE: 3602000 -8.43145 -245.55 -259.033 -245.549 -112.261 10.946 -259.032 10.9464 -106.82 GPRESSURE: 3602000 89.8022 -253.923 -312.941 -218.47 -141.33 74.2841 -216.628 -27.7401 -68.697 PRESSAVG: 3602000 34.8912 -37.6148 -9.09954 -37.6147 -11.5316 -23.6921 -9.09953 -23.6922 -37.799 GPRESSAVG: 3602000 34.7695 -34.5624 -11.3783 -40.8244 -11.585 -22.1182 -8.3157 -26.2652 -37.743 TIMING: 3602000 CPU: 10462, 0.00294646/step Wall: 10462, 0.00294646/step, 1.14421 hours remaining, 207.914062 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: 3602000 708.3907 2118.2864 1978.8119 114.4787 -206131.2459 17590.7301 0.0000 0.0000 34278.1314 -149342.4166 299.3594 -183620.5480 -149250.2627 298.5200 -75.8376 -40.0749 556726.2042 -4.8132 -4.8528 PRESSURE: 3602200 171.13 157.784 6.74097 157.784 15.3943 -107.2 6.74058 -107.2 124.107 GPRESSURE: 3602200 221.726 57.8871 136.456 198.833 79.4596 -99.5939 -105.641 -172.066 118.709 PRESSAVG: 3602200 4.57771 -8.38044 -8.53589 -8.38029 82.659 -37.3965 -8.53591 -37.3966 -56.7795 GPRESSAVG: 3602200 6.3784 -7.96217 -7.42346 -7.86556 81.8872 -38.69 -10.3177 -36.9425 -58.285 TIMING: 3602200 CPU: 10462.6, 0.00293995/step Wall: 10462.6, 0.00293995/step, 1.14152 hours remaining, 207.914062 MB of memory in use. ENERGY: 3602200 720.8473 2081.9316 1961.1761 113.9685 -206260.0462 17849.7297 0.0000 0.0000 34096.1970 -149436.1960 297.7706 -183532.3930 -149337.8561 298.3456 103.5439 139.9650 556467.7677 10.1524 9.9935 PRESSURE: 3602400 136.551 79.4914 25.2249 79.4919 85.5536 21.1881 25.2258 21.1871 -59.0348 GPRESSURE: 3602400 228.386 113.273 132.351 76.5904 78.358 -9.09893 -56.8938 9.1185 -42.2224 PRESSAVG: 3602400 -63.4728 27.7004 39.1326 27.7004 42.727 -2.31991 39.1326 -2.31989 18.4727 GPRESSAVG: 3602400 -63.2868 27.5957 38.1806 26.0037 42.2458 -2.41394 39.927 -0.312923 18.96 TIMING: 3602400 CPU: 10463.2, 0.00293851/step Wall: 10463.2, 0.00293851/step, 1.1408 hours remaining, 207.914062 MB of memory in use. ENERGY: 3602400 759.6402 2054.8586 1952.0080 110.0440 -206469.6621 17948.9029 0.0000 0.0000 34339.0420 -149305.1664 299.8914 -183644.2084 -149209.8097 298.6411 54.3567 88.1740 556485.5261 -0.7577 -0.6937 PRESSURE: 3602600 -128.084 -130.014 -15.1559 -130.014 -174.744 0.12844 -15.1551 0.128635 -302.798 GPRESSURE: 3602600 -161.278 -207.002 49.9544 -100.741 -96.8558 3.39608 -8.02534 35.822 -244.507 PRESSAVG: 3602600 56.7181 -19.3864 19.5129 -19.3863 -10.9992 -34.2261 19.513 -34.2261 -12.9475 GPRESSAVG: 3602600 55.5904 -20.6539 22.1847 -17.1895 -10.8846 -35.0241 19.4018 -33.4179 -11.8043 TIMING: 3602600 CPU: 10463.8, 0.00294776/step Wall: 10463.8, 0.00294776/step, 1.14422 hours remaining, 207.914062 MB of memory in use. ENERGY: 3602600 753.6081 2087.9163 1938.6500 114.2518 -206157.8812 17594.8472 0.0000 0.0000 34282.6089 -149385.9989 299.3986 -183668.6078 -149293.4655 298.6609 -201.8753 -167.5470 556594.0856 10.9238 10.9672 PRESSURE: 3602800 -190.545 52.0304 47.6692 52.0302 -9.19195 27.4563 47.6685 27.4559 -3.23969 GPRESSURE: 3602800 -181.605 76.6477 15.4928 139.06 26.0096 -0.665936 56.1417 3.62984 51.9415 PRESSAVG: 3602800 -11.8638 44.1694 -5.83923 44.1694 2.98259 -70.0552 -5.8392 -70.0551 -3.47286 GPRESSAVG: 3602800 -12.2088 44.0852 -8.76409 43.9516 3.52828 -70.1566 -5.58911 -69.5291 -3.19239 TIMING: 3602800 CPU: 10464.4, 0.00296137/step Wall: 10464.4, 0.00296137/step, 1.14934 hours remaining, 207.914062 MB of memory in use. ENERGY: 3602800 779.5843 2022.9459 1943.8318 114.2997 -206595.6668 18026.7609 0.0000 0.0000 34481.7001 -149226.5441 301.1373 -183708.2443 -149133.9950 299.8696 -67.6590 -34.5514 557146.5282 -4.1180 -3.9576 PRESSURE: 3603000 90.0458 -88.9055 23.3505 -88.9059 103.853 93.6087 23.3516 93.6087 -253.912 GPRESSURE: 3603000 52.9683 -117.633 135.728 -60.5664 112.191 58.3557 -19.9487 107.349 -125.796 PRESSAVG: 3603000 -15.594 -21.886 44.7539 -21.886 13.2451 -11.8373 44.754 -11.8372 -34.1703 GPRESSAVG: 3603000 -16.3873 -21.7762 47.7832 -21.7259 13.5936 -9.34113 42.9578 -15.3406 -33.7741 TIMING: 3603000 CPU: 10465, 0.00294658/step Wall: 10465, 0.00294658/step, 1.14344 hours remaining, 207.914062 MB of memory in use. ENERGY: 3603000 749.1687 2108.2603 1980.3318 120.9981 -206205.4012 17887.3575 0.0000 0.0000 34156.0682 -149203.2166 298.2934 -183359.2848 -149111.5365 299.8164 -20.0044 13.1211 559148.0762 -12.1731 -12.1893 PRESSURE: 3603200 156.274 -68.2535 93.1102 -68.2523 -120.264 -84.5629 93.1091 -84.5646 197.477 GPRESSURE: 3603200 174.766 -80.9576 21.6365 -49.4434 -84.2273 -41.7146 75.1616 -88.8008 234.862 PRESSAVG: 3603200 57.7753 48.3832 14.6654 48.3831 -31.3072 -42.5746 14.6654 -42.5747 -41.094 GPRESSAVG: 3603200 57.6618 48.1793 12.4065 50.4177 -30.8217 -44.8909 16.2734 -40.4605 -41.3729 TIMING: 3603200 CPU: 10465.5, 0.00288593/step Wall: 10465.5, 0.00288593/step, 1.11974 hours remaining, 207.914062 MB of memory in use. ENERGY: 3603200 714.8063 2104.4283 1957.8252 106.6803 -206368.1460 18062.0153 0.0000 0.0000 34236.0570 -149186.3336 298.9920 -183422.3906 -149089.3681 299.2270 77.8293 108.4670 559270.0618 -4.8753 -4.8442 PRESSURE: 3603400 173.1 -153.445 8.17169 -153.444 203.527 -135.856 8.17266 -135.856 251.966 GPRESSURE: 3603400 206.359 -86.9717 42.2913 -125.087 248.704 -298.845 -127.22 -30.9783 273.399 PRESSAVG: 3603400 34.2951 13.2447 -4.80563 13.2447 -79.1873 3.61317 -4.8056 3.61315 72.3339 GPRESSAVG: 3603400 35.1217 15.8611 -5.28588 9.44399 -80.6877 5.88337 -5.37395 4.34317 72.8864 TIMING: 3603400 CPU: 10466.1, 0.00291982/step Wall: 10466.1, 0.00291982/step, 1.13273 hours remaining, 207.914062 MB of memory in use. ENERGY: 3603400 752.6459 2096.7807 1959.7255 123.3755 -206808.2817 18338.0533 0.0000 0.0000 34506.9564 -149030.7444 301.3578 -183537.7007 -148932.4493 299.2839 209.5307 242.8208 558473.8675 9.1472 9.1068 PRESSURE: 3603600 34.1957 95.3683 -71.3268 95.3681 -546.993 -176.055 -71.3266 -176.055 86.3556 GPRESSURE: 3603600 36.1396 153.445 -82.0996 -20.5243 -476.463 -168.196 -48.0756 -152.025 95.4278 PRESSAVG: 3603600 19.7437 21.7058 24.2672 21.7057 -71.614 -28.453 24.2672 -28.453 35.2656 GPRESSAVG: 3603600 19.7732 21.4216 25.8752 22.9117 -70.8197 -28.754 25.0913 -30.0201 34.9375 TIMING: 3603600 CPU: 10466.7, 0.00293631/step Wall: 10466.7, 0.00293631/step, 1.13896 hours remaining, 207.914062 MB of memory in use. ENERGY: 3603600 764.1098 2078.6041 1971.1922 111.6357 -205634.6093 17627.8773 0.0000 0.0000 34215.1282 -148866.0620 298.8092 -183081.1902 -148768.0254 300.1030 -142.1472 -114.9654 559611.6950 -5.5349 -5.3697 PRESSURE: 3603800 -73.9791 -69.3015 6.7822 -69.3017 102.737 55.3216 6.78129 55.3208 -90.7756 GPRESSURE: 3603800 -26.6487 -41.2347 30.3597 -92.2834 117.943 33.1658 -98.3379 51.6844 -56.6359 PRESSAVG: 3603800 56.0279 -1.83088 -3.49944 -1.8309 -37.1257 -14.1444 -3.49945 -14.1444 -9.65379 GPRESSAVG: 3603800 56.164 -3.87298 -5.07679 -0.705396 -37.9735 -14.2523 -2.19593 -14.9184 -9.03221 TIMING: 3603800 CPU: 10467.3, 0.00293731/step Wall: 10467.3, 0.00293731/step, 1.13919 hours remaining, 207.914062 MB of memory in use. ENERGY: 3603800 735.3209 2098.6050 1950.5658 120.2229 -205875.4704 17851.7637 0.0000 0.0000 34244.1391 -148874.8530 299.0626 -183118.9921 -148772.5984 300.0495 -20.6725 11.5527 559053.6158 3.0828 3.0527 PRESSURE: 3604000 110.424 -77.5825 76.2304 -77.583 -180.654 -75.6912 76.2296 -75.6906 237.568 GPRESSURE: 3604000 164.77 -112.196 179.861 -31.3759 -187.931 25.4362 -59.4866 -135.422 285.883 PRESSAVG: 3604000 -42.6236 19.1361 24.3148 19.1359 18.0034 2.57518 24.3149 2.57514 27.5924 GPRESSAVG: 3604000 -42.9722 20.3835 25.8567 18.614 18.7708 -0.103822 22.4535 5.87902 27.757 TIMING: 3604000 CPU: 10467.9, 0.00295245/step Wall: 10467.9, 0.00295245/step, 1.1449 hours remaining, 207.914062 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: 3604000 757.8073 2044.0651 1972.5777 112.4836 -206160.6565 17940.3179 0.0000 0.0000 34425.9308 -148907.4740 300.6502 -183333.4048 -148814.8830 300.0671 55.7796 87.5743 557906.3382 0.9908 1.1852 PRESSURE: 3604200 61.3141 -114.585 -176.085 -114.585 -371.009 19.2695 -176.085 19.2696 -167.44 GPRESSURE: 3604200 41.2024 -107.079 -237.448 -127.464 -320.951 62.6554 -104.48 -25.033 -108.869 PRESSAVG: 3604200 -6.23641 -20.8882 50.6856 -20.8882 22.5276 -56.4653 50.6857 -56.4653 30.9817 GPRESSAVG: 3604200 -6.03183 -23.0725 49.6939 -20.0096 22.9883 -54.0576 51.2468 -56.6296 29.4791 TIMING: 3604200 CPU: 10468.5, 0.00294702/step Wall: 10468.5, 0.00294702/step, 1.14262 hours remaining, 207.914062 MB of memory in use. ENERGY: 3604200 755.8082 2149.0051 1952.4827 121.9772 -205786.6860 17625.0845 0.0000 0.0000 34400.9544 -148781.3739 300.4321 -183182.3283 -148683.2715 300.3326 -159.0451 -129.5392 559417.4875 15.7576 15.4785 LDB: ============= START OF LOAD BALANCING ============== 10471.9 LDB: ============== END OF LOAD BALANCING =============== 10471.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10471.9 LDB: ============= START OF LOAD BALANCING ============== 10472.2 LDB: Largest compute 4820 load 0.031874 is 27.1% of average load 0.117799 LDB: Average compute 0.001733 is 1.5% of average load 0.117799 LDB: TIME 10472.2 LOAD: AVG 0.117799 MAX 0.18064 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 10472.2 LOAD: AVG 0.117799 MAX 0.18064 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: TIME 10472.2 LOAD: AVG 0.117799 MAX 0.18064 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10472.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10472.3 PRESSURE: 3604400 32.665 129.109 -131.872 129.109 11.3977 -47.8103 -131.872 -47.8118 96.2092 GPRESSURE: 3604400 56.7651 69.4788 -167.886 135.467 80.9703 7.80377 -73.9814 -64.6778 105.052 PRESSAVG: 3604400 6.48898 13.0414 71.5961 13.0415 29.5068 37.9273 71.5961 37.9271 -18.6104 GPRESSAVG: 3604400 6.58849 13.7115 71.2135 12.6317 28.0848 37.9162 70.9333 36.6483 -17.0848 TIMING: 3604400 CPU: 10469.1, 0.00300648/step Wall: 10469.1, 0.00300648/step, 1.16551 hours remaining, 208.382812 MB of memory in use. ENERGY: 3604400 749.3759 2119.2107 1975.9586 118.3211 -206335.2372 17989.1968 0.0000 0.0000 34607.4575 -148775.7166 302.2355 -183383.1741 -148683.0399 301.4365 46.7573 80.9291 558228.9581 5.7951 5.8628 PRESSURE: 3604600 -65.6507 40.1367 -27.9104 40.1358 -251.473 107.386 -27.9109 107.387 -21.1103 GPRESSURE: 3604600 -8.17329 7.06923 87.2119 53.0333 -174.11 188.278 -56.3373 14.0231 -44.9745 PRESSAVG: 3604600 66.4204 2.53237 49.1434 2.53223 -49.2716 -2.60907 49.1433 -2.6091 36.2618 GPRESSAVG: 3604600 66.9656 1.88941 49.7779 4.64093 -48.4774 -2.01025 50.0117 -3.49038 35.213 TIMING: 3604600 CPU: 10469.7, 0.00293359/step Wall: 10469.7, 0.00293359/step, 1.13709 hours remaining, 208.585938 MB of memory in use. ENERGY: 3604600 785.1188 2110.6161 1940.4374 110.8217 -205783.5943 17659.5794 0.0000 0.0000 34481.1193 -148695.9015 301.1322 -183177.0208 -148592.0316 300.7806 -112.7448 -75.7526 556333.5478 17.8036 17.9004 PRESSURE: 3604800 163.028 71.287 9.70762 71.287 116.319 0.289729 9.70864 0.288489 158.668 GPRESSURE: 3604800 201.89 120.812 38.354 94.4318 102.837 100.069 91.2097 24.5052 214.339 PRESSAVG: 3604800 -14.9963 20.9292 13.7962 20.9292 -9.67212 66.7995 13.7962 66.7995 20.5215 GPRESSAVG: 3604800 -15.667 20.6198 15.4207 18.4626 -10.0227 65.9094 12.5057 69.1872 21.0303 TIMING: 3604800 CPU: 10470.2, 0.00293161/step Wall: 10470.2, 0.00293161/step, 1.13616 hours remaining, 208.585938 MB of memory in use. ENERGY: 3604800 725.5930 2157.6006 1984.9865 119.0125 -206062.8512 17829.8068 0.0000 0.0000 34551.7218 -148694.1301 301.7488 -183245.8519 -148604.6290 300.6486 146.0051 173.0218 558364.0391 -1.3823 -1.5531 PRESSURE: 3605000 174.425 38.5489 -16.362 38.5467 166.35 70.2494 -16.3617 70.249 130.404 GPRESSURE: 3605000 217.057 -27.2292 108.464 28.3557 168.901 79.1997 -23.544 76.576 175.75 PRESSAVG: 3605000 20.5286 -8.37372 60.7276 -8.37371 26.9546 -31.0413 60.7275 -31.0413 -51.0668 GPRESSAVG: 3605000 21.2106 -8.65807 58.6651 -9.20936 26.9535 -28.9764 61.316 -33.1229 -51.1377 TIMING: 3605000 CPU: 10470.8, 0.00296543/step Wall: 10470.8, 0.00296543/step, 1.1491 hours remaining, 208.789062 MB of memory in use. ENERGY: 3605000 713.8369 2077.5485 1968.9160 120.4181 -206048.9474 18036.7656 0.0000 0.0000 34541.5749 -148589.8874 301.6602 -183131.4623 -148498.4055 300.8478 157.0596 187.2361 558504.7945 -1.1945 -0.9912 PRESSURE: 3605200 -159.961 -41.6452 190.265 -41.6447 80.9802 -131.355 190.265 -131.356 -155.04 GPRESSURE: 3605200 -137.651 -16.1052 105.461 -70.066 128.97 -152.332 242.227 -51.6399 -123.293 PRESSAVG: 3605200 -20.4592 -6.89456 -24.5129 -6.89446 50.7365 -49.7779 -24.5128 -49.778 -81.9858 GPRESSAVG: 3605200 -20.6955 -5.01576 -22.554 -4.85357 50.975 -51.4381 -23.497 -50.196 -82.4185 TIMING: 3605200 CPU: 10471.4, 0.00298752/step Wall: 10471.4, 0.00298752/step, 1.1575 hours remaining, 208.789062 MB of memory in use. ENERGY: 3605200 794.4716 2110.8018 1955.0238 118.1718 -205869.0044 17608.2526 0.0000 0.0000 34558.8769 -148723.4058 301.8113 -183282.2828 -148624.4411 301.2034 -78.0068 -43.9913 558126.1124 -17.2361 -17.3797 PRESSURE: 3605400 -89.9289 -26.5648 -122.762 -26.5654 107.223 -204.672 -122.763 -204.672 43.4287 GPRESSURE: 3605400 -28.4716 -52.5766 -186.266 18.1409 98.1139 -176.46 -151.954 -203.744 76.1877 PRESSAVG: 3605400 -25.8923 -4.38806 40.1895 -4.38804 45.5401 -13.1055 40.1894 -13.1055 -25.1849 GPRESSAVG: 3605400 -26.4137 -3.7263 36.1551 -3.20243 45.8424 -14.9071 39.7446 -11.6185 -25.4078 TIMING: 3605400 CPU: 10472, 0.00296067/step Wall: 10472, 0.00296067/step, 1.14693 hours remaining, 208.789062 MB of memory in use. ENERGY: 3605400 736.6299 2080.8063 1970.8867 129.2460 -205853.1535 17663.1411 0.0000 0.0000 34303.5584 -148968.8852 299.5815 -183272.4436 -148867.9531 299.9588 20.2410 48.6100 557863.1247 -1.8457 -1.9931 PRESSURE: 3605600 26.1737 168.169 -18.3891 168.17 88.4242 92.9752 -18.3882 92.9744 135.145 GPRESSURE: 3605600 54.4116 227.196 -7.85205 56.9556 114.865 11.8333 -46.5106 37.7643 178.298 PRESSAVG: 3605600 -33.4908 47.5497 11.3645 47.5498 14.6784 -76.7776 11.3645 -76.7776 40.7784 GPRESSAVG: 3605600 -34.5328 47.6343 15.3381 43.0868 13.8997 -76.7488 10.1931 -76.3761 42.9227 TIMING: 3605600 CPU: 10472.6, 0.00297484/step Wall: 10472.6, 0.00297484/step, 1.15226 hours remaining, 208.789062 MB of memory in use. ENERGY: 3605600 729.8913 2124.8720 1964.6850 121.3840 -206050.1273 17815.8287 0.0000 0.0000 34249.1100 -149044.3563 299.1060 -183293.4663 -148951.7110 299.0564 83.2478 115.8581 557862.3329 7.3220 7.4299 PRESSURE: 3605800 -109.364 50.0393 -44.4245 50.0391 -94.5421 -83.4194 -44.4243 -83.4177 278.494 GPRESSURE: 3605800 -90.7317 4.60127 -31.3514 21.8216 -37.516 -62.3098 -94.6422 -51.0872 302.453 PRESSAVG: 3605800 26.3838 48.7579 40.5687 48.7579 -79.0687 -37.1324 40.5687 -37.1323 36.351 GPRESSAVG: 3605800 27.1515 47.5833 39.0811 52.1859 -79.6919 -35.5944 40.9678 -36.7186 36.1383 TIMING: 3605800 CPU: 10473.2, 0.0029425/step Wall: 10473.2, 0.0029425/step, 1.13956 hours remaining, 208.789062 MB of memory in use. ENERGY: 3605800 783.7940 2110.1256 1953.4764 118.5119 -206503.5866 18044.3658 0.0000 0.0000 34317.8088 -149175.5042 299.7060 -183493.3130 -149088.4191 299.2780 24.8626 58.0685 558027.8005 -5.4446 -5.4674 PRESSURE: 3606000 -59.6362 11.3812 8.83951 11.3808 33.7138 93.676 8.83935 93.6771 -48.1234 GPRESSURE: 3606000 -59.9162 -5.12195 23.3889 32.5145 71.7161 -30.5886 -45.4447 152.53 18.7784 PRESSAVG: 3606000 5.53563 -14.4586 -46.0287 -14.4585 -60.723 -10.9369 -46.0287 -10.9369 36.2998 GPRESSAVG: 3606000 5.53098 -13.7176 -47.3887 -14.7941 -60.4178 -9.05471 -44.9918 -12.5528 35.3232 TIMING: 3606000 CPU: 10473.8, 0.00296613/step Wall: 10473.8, 0.00296613/step, 1.14855 hours remaining, 208.789062 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: 3606000 735.1496 2117.6466 1975.4959 122.9090 -206125.4705 17742.1388 0.0000 0.0000 34264.7738 -149167.3566 299.2428 -183432.1305 -149066.5899 299.8451 -24.6819 10.1928 557921.2857 -6.2959 -6.5212 PRESSURE: 3606200 151.602 -83.4108 -6.54742 -83.4118 299.805 7.3925 -6.54686 7.38944 50.8967 GPRESSURE: 3606200 167.674 -63.5804 -25.6602 -87.0642 313.4 -38.2579 -42.7927 -17.0324 104.65 PRESSAVG: 3606200 64.0484 -27.7206 41.0396 -27.7205 -78.1764 16.0337 41.0396 16.0336 23.4594 GPRESSAVG: 3606200 62.8186 -26.8076 43.2596 -28.1669 -78.0137 14.8551 39.1209 15.1466 24.6755 TIMING: 3606200 CPU: 10474.4, 0.00291578/step Wall: 10474.4, 0.00291578/step, 1.12889 hours remaining, 208.789062 MB of memory in use. ENERGY: 3606200 728.5721 2053.1245 1984.7727 116.9400 -206492.2459 17957.5270 0.0000 0.0000 34142.9091 -149508.4004 298.1785 -183651.3096 -149410.2123 299.3620 167.4343 195.2411 556374.2377 3.1105 3.1601 PRESSURE: 3606400 253.332 9.72394 27.4029 9.72451 14.4205 -71.4752 27.4036 -71.475 88.0991 GPRESSURE: 3606400 266.152 52.9013 -34.2469 53.1899 94.7295 -33.1592 34.1021 -158.015 92.3486 PRESSAVG: 3606400 43.1269 -0.0756902 -3.81634 -0.0756069 -69.4435 -43.8261 -3.8163 -43.8261 -15.6583 GPRESSAVG: 3606400 43.6691 0.834486 -5.38894 0.489017 -69.0662 -43.2315 -2.38095 -45.2352 -16.7323 TIMING: 3606400 CPU: 10475, 0.00290327/step Wall: 10475, 0.00290327/step, 1.12389 hours remaining, 208.789062 MB of memory in use. ENERGY: 3606400 774.7012 2035.6300 1961.1430 112.8495 -206712.7959 18063.1329 0.0000 0.0000 34315.6299 -149449.7094 299.6869 -183765.3393 -149346.0139 297.9390 118.6170 151.0767 557185.0343 -13.9916 -14.0432 PRESSURE: 3606600 -25.5793 163.524 -31.4685 163.524 -25.6975 223.103 -31.4678 223.102 -145.832 GPRESSURE: 3606600 15.7591 145.472 -58.0873 180.276 39.6517 260.358 20.3663 158.82 -147.358 PRESSAVG: 3606600 -33.9437 77.9963 -7.34437 77.9962 5.55029 6.10421 -7.34445 6.10429 -6.93316 GPRESSAVG: 3606600 -33.8991 77.9179 -7.5909 77.5965 6.62468 5.20788 -6.91363 8.64485 -7.70063 TIMING: 3606600 CPU: 10475.6, 0.00291456/step Wall: 10475.6, 0.00291456/step, 1.1281 hours remaining, 208.789062 MB of memory in use. ENERGY: 3606600 797.4504 2048.3235 1932.2622 116.2692 -206282.0287 17803.5936 0.0000 0.0000 34236.1699 -149347.9599 298.9930 -183584.1297 -149249.5244 298.8467 -65.7030 -30.6492 557613.8402 -11.7755 -11.6584 PRESSURE: 3606800 -361.045 21.2441 44.423 21.2442 -308.123 12.05 44.4241 12.05 -136.605 GPRESSURE: 3606800 -326.859 -35.4883 26.1193 -23.2453 -274.694 73.3235 94.3208 127.715 -109.007 PRESSAVG: 3606800 -2.37041 -12.0559 6.20439 -12.0558 -23.1075 19.9346 6.20444 19.9344 38.1527 GPRESSAVG: 3606800 -1.91862 -13.3929 5.20425 -10.1606 -24.1437 20.4707 6.30106 17.1111 39.0995 TIMING: 3606800 CPU: 10476.1, 0.00290665/step Wall: 10476.1, 0.00290665/step, 1.12487 hours remaining, 208.789062 MB of memory in use. ENERGY: 3606800 757.8966 2131.6915 1978.0344 115.8683 -205836.2602 17536.5905 0.0000 0.0000 34153.1611 -149163.0178 298.2681 -183316.1789 -149065.9332 299.5024 -268.5911 -236.8534 559635.2038 4.2249 4.3457 PRESSURE: 3607000 9.88562 -14.1272 122.708 -14.1275 19.6274 -71.6275 122.708 -71.6272 -211.716 GPRESSURE: 3607000 5.94205 -64.0384 126.523 29.864 72.7379 -92.6029 97.8129 -80.4452 -167.708 PRESSAVG: 3607000 5.37835 8.1542 29.9199 8.15417 -63.9797 -43.004 29.9198 -43.0039 5.34319 GPRESSAVG: 3607000 6.95084 8.39595 30.613 7.14508 -64.3976 -42.6803 28.8665 -41.1878 4.69395 TIMING: 3607000 CPU: 10476.7, 0.00293505/step Wall: 10476.7, 0.00293505/step, 1.1357 hours remaining, 208.789062 MB of memory in use. ENERGY: 3607000 745.6328 2115.9805 1953.9397 118.8382 -205822.6046 17559.0488 0.0000 0.0000 34165.8462 -149163.3185 298.3788 -183329.1646 -149063.9316 299.2242 -60.7343 -29.6760 557519.3013 -17.7527 -17.5843 PRESSURE: 3607200 -146.623 83.6313 94.1212 83.6318 57.3716 -233.583 94.1199 -233.584 -167.086 GPRESSURE: 3607200 -170.217 -1.47183 47.4851 9.06053 104.738 -196.68 53.9196 -176.471 -103.143 PRESSAVG: 3607200 41.8685 4.24851 50.8446 4.24844 -12.3868 -24.3632 50.8447 -24.3632 -10.6599 GPRESSAVG: 3607200 40.8913 5.65251 51.3476 2.32908 -12.029 -25.697 52.2417 -24.4958 -9.37016 TIMING: 3607200 CPU: 10477.3, 0.0029355/step Wall: 10477.3, 0.0029355/step, 1.13571 hours remaining, 208.859375 MB of memory in use. ENERGY: 3607200 727.4341 2094.0024 1951.3612 127.7746 -205869.5866 17673.1238 0.0000 0.0000 34289.8647 -149006.0258 299.4619 -183295.8905 -148912.4114 299.8065 -85.4458 -56.2071 558945.3415 6.2740 6.4974 PRESSURE: 3607400 -204.744 -100.597 64.8293 -100.596 -17.6145 -52.3051 64.8288 -52.3053 396.538 GPRESSURE: 3607400 -161.887 -60.3251 92.8706 -129.344 -9.0765 -91.8859 -9.11171 64.9366 447.405 PRESSAVG: 3607400 37.4227 26.0517 4.95074 26.0516 -62.7727 -41.6928 4.95075 -41.6927 63.1908 GPRESSAVG: 3607400 38.1709 24.4186 4.6424 29.4719 -62.4613 -40.08 4.2674 -40.545 62.5371 TIMING: 3607400 CPU: 10477.9, 0.00295693/step Wall: 10477.9, 0.00295693/step, 1.14384 hours remaining, 208.859375 MB of memory in use. ENERGY: 3607400 733.2165 2040.3979 1942.2771 114.8523 -205693.4944 17560.3346 0.0000 0.0000 34257.5001 -149044.9159 299.1793 -183302.4160 -148943.4989 299.8837 58.0599 92.1472 556094.6596 12.6136 12.7489 PRESSURE: 3607600 -2.12271 -144.025 -77.4224 -144.025 114.231 -152.134 -77.423 -152.135 68.2253 GPRESSURE: 3607600 10.7428 -177.984 -36.8953 -172.965 176.27 -162.396 -22.8131 -17.7605 98.8688 PRESSAVG: 3607600 -47.4057 -25.9191 1.43258 -25.9191 47.8636 -27.1808 1.43256 -27.1808 44.9785 GPRESSAVG: 3607600 -47.1259 -26.7324 0.964821 -27.1794 47.6462 -27.0547 1.30365 -30.578 44.9889 TIMING: 3607600 CPU: 10478.5, 0.00291146/step Wall: 10478.5, 0.00291146/step, 1.12609 hours remaining, 208.859375 MB of memory in use. ENERGY: 3607600 738.8349 2135.4944 1951.8817 103.5399 -206053.9033 17880.1410 0.0000 0.0000 34269.6463 -148974.3652 299.2853 -183244.0115 -148874.6272 300.1071 60.1113 95.2940 557324.6542 15.1454 15.1698 PRESSURE: 3607800 -161.315 11.238 -47.5557 11.2378 88.2111 29.9139 -47.5554 29.9125 -162.554 GPRESSURE: 3607800 -125.593 115.166 -49.9738 -1.44782 116.184 133.269 -94.3179 -18.0196 -134.658 PRESSAVG: 3607800 -42.462 -26.5523 13.5932 -26.5523 36.9318 -35.6056 13.593 -35.6056 -32.2873 GPRESSAVG: 3607800 -42.1103 -24.0733 16.2202 -27.3109 37.4152 -36.6783 11.5501 -32.2564 -33.0192 TIMING: 3607800 CPU: 10479.1, 0.00295637/step Wall: 10479.1, 0.00295637/step, 1.14329 hours remaining, 208.859375 MB of memory in use. ENERGY: 3607800 742.6766 2138.7081 1939.8250 115.2976 -205744.3217 17643.2556 0.0000 0.0000 34066.8056 -149097.7531 297.5139 -183164.5587 -149004.9193 298.8546 -78.5527 -48.0225 556757.5000 -12.6059 -12.5714 PRESSURE: 3608000 -19.4705 22.951 -147.133 22.95 -104.175 -200.721 -147.136 -200.721 257.837 GPRESSURE: 3608000 57.7423 -33.2095 -116.508 -31.8785 -99.8756 -215.383 -220.836 -132.122 263.068 PRESSAVG: 3608000 14.7528 -1.2914 -19.8652 -1.29133 -16.7047 -48.5064 -19.8653 -48.5063 -18.1657 GPRESSAVG: 3608000 13.1206 -2.69307 -20.9198 -1.14822 -16.2324 -49.8124 -18.9007 -49.4374 -17.7225 TIMING: 3608000 CPU: 10479.7, 0.0029448/step Wall: 10479.7, 0.0029448/step, 1.13865 hours remaining, 208.859375 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: 3608000 750.9110 2118.6057 1951.9162 94.9321 -205845.5722 17696.1912 0.0000 0.0000 34249.4064 -148983.6096 299.1086 -183233.0160 -148895.1281 299.7294 44.7304 73.6450 556329.0838 -6.7059 -6.9448 PRESSURE: 3608200 75.117 96.5864 256.753 96.5862 -46.3843 36.4183 256.753 36.4179 61.8693 GPRESSURE: 3608200 64.742 133.611 197.351 61.1743 32.9392 -5.37385 231.009 122.699 93.9253 PRESSAVG: 3608200 28.8494 8.64494 30.8274 8.64505 -22.571 -7.2323 30.8274 -7.23228 45.9264 GPRESSAVG: 3608200 29.6494 7.44559 28.2136 10.6125 -23.5977 -5.06568 32.6659 -8.64014 45.4671 TIMING: 3608200 CPU: 10480.3, 0.00296625/step Wall: 10480.3, 0.00296625/step, 1.14678 hours remaining, 208.859375 MB of memory in use. ENERGY: 3608200 730.3635 2108.7418 1943.9422 121.4534 -205968.1723 17712.7382 0.0000 0.0000 34380.4615 -148970.4716 300.2531 -183350.9332 -148877.2727 299.7623 30.2006 63.8688 557698.1195 17.4016 17.1729 LDB: ============= START OF LOAD BALANCING ============== 10483.7 LDB: ============== END OF LOAD BALANCING =============== 10483.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10483.7 LDB: ============= START OF LOAD BALANCING ============== 10484 LDB: Largest compute 4820 load 0.032422 is 27.5% of average load 0.117807 LDB: Average compute 0.001733 is 1.5% of average load 0.117807 LDB: TIME 10484 LOAD: AVG 0.117807 MAX 0.178333 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.863 MB LDB: TIME 10484 LOAD: AVG 0.117807 MAX 0.178333 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.867 MB LDB: TIME 10484 LOAD: AVG 0.117807 MAX 0.178333 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.867 MB LDB: ============== END OF LOAD BALANCING =============== 10484 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10484 PRESSURE: 3608400 -149.559 103.848 52.8583 103.847 -241.968 63.0021 52.8591 63.0014 -117.857 GPRESSURE: 3608400 -160.47 67.3836 40.4269 48.8456 -190.794 77.3295 55.8061 0.79847 -57.0457 PRESSAVG: 3608400 49.7804 -29.1444 54.6697 -29.1443 -23.9491 -2.82357 54.6698 -2.82354 8.17109 GPRESSAVG: 3608400 49.212 -28.3152 56.7632 -30.5459 -25.0216 -1.25028 53.3699 -0.905828 9.14928 TIMING: 3608400 CPU: 10480.9, 0.00299274/step Wall: 10480.9, 0.00299274/step, 1.15686 hours remaining, 208.500000 MB of memory in use. ENERGY: 3608400 756.5894 2148.3533 1950.7860 114.7413 -205574.8398 17548.7102 0.0000 0.0000 34267.1324 -148788.5271 299.2634 -183055.6595 -148702.7501 300.4972 -169.7950 -136.1031 560202.6798 11.3341 11.1132 PRESSURE: 3608600 54.9382 -188.029 -13.6425 -188.029 -247.637 -57.4957 -13.6435 -57.4953 121.648 GPRESSURE: 3608600 57.0102 -120.275 -131.08 -242.137 -224.202 -49.9646 -17.3532 -45.4488 197.736 PRESSAVG: 3608600 -14.761 -8.09737 -26.0777 -8.09739 -55.7627 26.6956 -26.0776 26.6956 71.0862 GPRESSAVG: 3608600 -15.2923 -7.39641 -25.9996 -7.6786 -53.3601 24.275 -23.7021 26.4059 68.9197 TIMING: 3608600 CPU: 10481.4, 0.00295347/step Wall: 10481.4, 0.00295347/step, 1.14152 hours remaining, 208.703125 MB of memory in use. ENERGY: 3608600 792.4475 2134.4660 1934.7211 127.8885 -205767.7189 17494.5975 0.0000 0.0000 34466.9672 -148816.6311 301.0086 -183283.5983 -148711.1902 300.4443 -23.6837 10.1812 558731.0383 0.1875 0.0891 PRESSURE: 3608800 78.467 -78.8527 76.7025 -78.8526 42.2127 46.1796 76.7032 46.181 -23.2834 GPRESSURE: 3608800 78.9315 -126.41 62.9506 -133.529 78.02 82.186 57.7756 10.9527 31.2639 PRESSAVG: 3608800 -4.23329 -12.6495 -36.6463 -12.6495 2.71112 -42.438 -36.6463 -42.4379 -1.7913 GPRESSAVG: 3608800 -4.21136 -12.629 -36.777 -13.6844 1.46084 -41.3052 -37.5604 -42.2322 -0.347856 TIMING: 3608800 CPU: 10482, 0.00295445/step Wall: 10482, 0.00295445/step, 1.14173 hours remaining, 208.703125 MB of memory in use. ENERGY: 3608800 743.3236 2152.5359 1956.1670 106.9057 -205934.2014 17857.7668 0.0000 0.0000 34488.0020 -148629.5003 301.1923 -183117.5024 -148528.6975 300.8458 32.4654 62.7385 558568.4123 -1.1045 -1.0328 PRESSURE: 3609000 15.0336 44.5983 -111.344 44.5981 65.7949 -2.18378 -111.345 -2.18498 183.656 GPRESSURE: 3609000 34.3309 79.5926 -58.8289 92.6859 152.287 -42.3606 -64.0911 73.587 175.706 PRESSAVG: 3609000 4.42495 5.66441 36.7248 5.6644 27.0024 -1.53849 36.7249 -1.53846 -54.3868 GPRESSAVG: 3609000 4.63583 3.57166 35.0544 7.00434 27.4101 -3.60983 37.7719 -1.7528 -54.4868 TIMING: 3609000 CPU: 10482.6, 0.00291826/step Wall: 10482.6, 0.00291826/step, 1.12758 hours remaining, 208.972656 MB of memory in use. ENERGY: 3609000 754.9642 2087.9587 1933.1389 109.1774 -206010.5658 17812.3435 0.0000 0.0000 34624.8147 -148688.1685 302.3871 -183312.9832 -148590.7224 300.8064 88.1614 120.7746 558746.1250 -7.6532 -7.4803 PRESSURE: 3609200 -219.548 -148.921 105.684 -148.921 92.7276 -15.011 105.685 -15.0095 -392.988 GPRESSURE: 3609200 -208.458 -191.339 142.614 -53.2142 161.01 -4.4425 65.7242 -60.8348 -378.24 PRESSAVG: 3609200 -13.5049 -22.6793 25.7819 -22.6793 22.4972 5.14953 25.782 5.14957 -10.9102 GPRESSAVG: 3609200 -13.8665 -20.6576 28.0746 -22.0549 22.0435 4.70111 22.8778 4.87731 -10.6635 TIMING: 3609200 CPU: 10483.2, 0.00295535/step Wall: 10483.2, 0.00295535/step, 1.14175 hours remaining, 208.972656 MB of memory in use. ENERGY: 3609200 749.6766 2106.0610 1964.5765 117.5544 -205603.6782 17465.2476 0.0000 0.0000 34552.0412 -148648.5210 301.7516 -183200.5622 -148552.4316 301.3823 -173.2696 -141.8961 556782.1471 -0.6393 -0.8288 PRESSURE: 3609400 -54.6365 -153.546 45.4338 -153.545 -138.649 94.3652 45.4352 94.3631 -27.1089 GPRESSURE: 3609400 -33.9229 -108.053 41.3978 -100.38 -122.185 82.9527 85.1849 126.572 26.1171 PRESSAVG: 3609400 14.211 -46.8343 7.10934 -46.8343 37.4076 -18.0216 7.10941 -18.0216 -44.9036 GPRESSAVG: 3609400 13.7214 -48.3351 8.32646 -45.6019 37.5755 -16.6724 7.01663 -17.492 -45.2499 TIMING: 3609400 CPU: 10483.8, 0.00293314/step Wall: 10483.8, 0.00293314/step, 1.13301 hours remaining, 209.042969 MB of memory in use. ENERGY: 3609400 745.8908 2100.9460 1973.4879 115.1601 -205568.7707 17554.8885 0.0000 0.0000 34533.6090 -148544.7884 301.5906 -183078.3974 -148445.8532 301.3184 -73.4650 -43.3302 556317.7282 2.2383 2.0157 PRESSURE: 3609600 -55.8812 19.8253 72.4543 19.8245 25.4062 -50.5977 72.454 -50.5964 -49.5889 GPRESSURE: 3609600 -12.5671 81.9579 -6.63509 -24.715 20.9351 -88.5342 102.199 -22.339 -3.28611 PRESSAVG: 3609600 -21.3174 -39.4571 14.0628 -39.4572 -13.6873 -51.6958 14.0629 -51.6959 37.4619 GPRESSAVG: 3609600 -20.9947 -38.0256 9.56823 -42.7624 -13.4448 -50.1306 18.2886 -52.6893 36.5348 TIMING: 3609600 CPU: 10484.4, 0.00297334/step Wall: 10484.4, 0.00297334/step, 1.14837 hours remaining, 209.042969 MB of memory in use. ENERGY: 3609600 771.6132 2002.5466 1954.8308 104.8942 -205541.1191 17739.7816 0.0000 0.0000 34335.8519 -148631.6008 299.8635 -182967.4527 -148532.3449 300.9898 -26.6879 1.6940 557479.6493 0.8191 0.6984 PRESSURE: 3609800 109.126 214.689 24.344 214.689 95.9422 -91.2216 24.3426 -91.222 148.08 GPRESSURE: 3609800 147.573 167.999 5.71055 243.379 157.84 -158.087 25.3476 -119.533 147.544 PRESSAVG: 3609800 -2.85218 -20.9195 20.8437 -20.9195 30.3098 -34.0717 20.8437 -34.0716 -31.9587 GPRESSAVG: 3609800 -3.93835 -20.4678 24.4842 -20.873 30.0507 -34.5716 19.19 -32.9471 -31.2699 TIMING: 3609800 CPU: 10485, 0.00294448/step Wall: 10485, 0.00294448/step, 1.13706 hours remaining, 209.042969 MB of memory in use. ENERGY: 3609800 725.6989 2063.7459 1950.7797 120.2843 -205817.3791 17871.1982 0.0000 0.0000 34494.0151 -148591.6569 301.2448 -183085.6720 -148498.2053 300.8094 117.7161 150.9857 556774.2645 -1.5004 -1.7192 PRESSURE: 3610000 -221.402 23.2924 169.858 23.2922 -262.288 78.2929 169.858 78.2933 -38.345 GPRESSURE: 3610000 -187.076 -47.1366 214.262 132.861 -254.553 106.172 137.564 84.4661 18.896 PRESSAVG: 3610000 -41.0512 -11.1713 -0.317258 -11.1714 -0.247227 -5.99415 -0.317319 -5.99418 -10.6702 GPRESSAVG: 3610000 -41.3724 -12.2088 0.158959 -9.55137 0.80612 -6.97514 -0.0343674 -6.73818 -10.8238 TIMING: 3610000 CPU: 10485.6, 0.00294695/step Wall: 10485.6, 0.00294695/step, 1.13785 hours remaining, 209.042969 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: 3610000 748.8418 2100.1183 1967.7380 119.6594 -205662.1977 17461.5376 0.0000 0.0000 34302.6767 -148961.6259 299.5738 -183264.3025 -148862.3174 300.0753 -174.0116 -140.9110 557504.0996 -17.3229 -17.1300 PRESSURE: 3610200 -203.883 -132.889 -185.225 -132.888 100.111 132.734 -185.224 132.737 236.591 GPRESSURE: 3610200 -114.208 -77.2014 -165.292 -164.402 73.2952 -8.98371 -118.35 235.088 264.937 PRESSAVG: 3610200 -25.5834 -4.90559 13.7644 -4.90548 -40.4972 8.9192 13.7644 8.91917 68.1958 GPRESSAVG: 3610200 -24.4673 -4.5919 11.4641 -5.62189 -41.5518 8.05551 14.1599 11.6343 67.7247 TIMING: 3610200 CPU: 10486.2, 0.00295316/step Wall: 10486.2, 0.00295316/step, 1.14008 hours remaining, 209.042969 MB of memory in use. ENERGY: 3610200 763.9273 2099.5257 1960.2393 112.9125 -205940.0592 17694.9495 0.0000 0.0000 34436.8131 -148871.6917 300.7453 -183308.5048 -148785.6071 299.9316 44.2731 74.6748 557422.9673 0.7051 0.5686 PRESSURE: 3610400 -157.109 25.593 -30.3025 25.5935 -15.1705 -105.027 -30.3019 -105.028 -289.552 GPRESSURE: 3610400 -146.992 21.2468 -60.8703 45.0472 62.3142 -135.526 -115.732 -83.4816 -275.443 PRESSAVG: 3610400 -62.6092 -8.58831 -6.78435 -8.58831 6.94445 -43.3344 -6.78437 -43.3343 47.7782 GPRESSAVG: 3610400 -63.154 -9.34657 -5.92418 -8.31567 7.75662 -44.6579 -8.61586 -43.6877 47.578 TIMING: 3610400 CPU: 10486.8, 0.00293979/step Wall: 10486.8, 0.00293979/step, 1.13476 hours remaining, 209.042969 MB of memory in use. ENERGY: 3610400 782.4501 2126.0086 1950.2108 118.0687 -205600.5828 17512.4470 0.0000 0.0000 34353.2406 -148758.1570 300.0154 -183111.3975 -148665.3495 299.8011 -153.9439 -120.0403 557102.7015 -2.6288 -2.6064 PRESSURE: 3610600 -327.813 8.87575 136.196 8.87605 91.5285 33.1382 136.196 33.1387 53.6426 GPRESSURE: 3610600 -258.401 -70.2511 141.631 49.0095 106.03 57.7898 140.271 30.9794 60.778 PRESSAVG: 3610600 -21.7457 -43.8871 39.1569 -43.8871 17.7898 -14.0777 39.1569 -14.0777 -22.3995 GPRESSAVG: 3610600 -21.8021 -42.3883 40.5067 -43.8714 18.0411 -12.2734 40.7575 -14.8255 -22.3786 TIMING: 3610600 CPU: 10487.3, 0.00293106/step Wall: 10487.3, 0.00293106/step, 1.13123 hours remaining, 209.042969 MB of memory in use. ENERGY: 3610600 753.4135 2061.5503 1969.8241 115.4763 -205990.4935 17728.5772 0.0000 0.0000 34497.7823 -148863.8697 301.2777 -183361.6520 -148769.8569 299.9101 -60.8808 -30.5311 557488.5739 -8.7851 -8.7132 PRESSURE: 3610800 -115.221 58.0632 -85.0588 58.0639 -215.014 -65.3008 -85.0587 -65.2995 -17.8134 GPRESSURE: 3610800 -28.1078 55.7523 -81.1193 81.0833 -156.423 9.13121 -112.47 -88.6814 -71.6359 PRESSAVG: 3610800 44.4769 1.05211 49.9115 1.05215 24.7514 -3.97419 49.9114 -3.97423 -63.2986 GPRESSAVG: 3610800 45.0353 -1.08474 48.5427 1.15208 23.4302 -3.96799 48.3255 -4.64316 -62.6384 TIMING: 3610800 CPU: 10487.9, 0.00295241/step Wall: 10487.9, 0.00295241/step, 1.1393 hours remaining, 209.042969 MB of memory in use. ENERGY: 3610800 784.7100 2055.5967 1957.6844 125.9212 -205514.1455 17620.8446 0.0000 0.0000 34181.2878 -148788.1010 298.5137 -182969.3887 -148694.6113 300.4998 -116.0161 -85.3888 558457.2336 1.9766 1.9424 PRESSURE: 3611000 -49.9159 32.0766 -58.2403 32.0782 -231.498 8.51682 -58.2396 8.51643 -249.723 GPRESSURE: 3611000 -7.67106 33.9851 -87.466 49.3419 -249.747 -34.5999 -79.7455 18.6116 -177.939 PRESSAVG: 3611000 7.4984 6.27845 26.8328 6.27847 0.357136 -44.7379 26.8329 -44.738 -3.03948 GPRESSAVG: 3611000 7.54936 8.30258 26.2837 5.8198 0.583843 -44.5992 26.1478 -44.5071 -2.89066 TIMING: 3611000 CPU: 10488.5, 0.00294963/step Wall: 10488.5, 0.00294963/step, 1.13807 hours remaining, 209.042969 MB of memory in use. ENERGY: 3611000 733.6864 2105.8512 1940.8543 110.6310 -205477.4957 17463.7163 0.0000 0.0000 34328.6612 -148794.0953 299.8007 -183122.7566 -148698.8995 300.1154 -177.0456 -145.1189 559327.3551 1.6054 1.7475 PRESSURE: 3611200 -155.19 62.9506 -280.083 62.9502 -290.676 45.7939 -280.083 45.7935 -187.57 GPRESSURE: 3611200 -101.092 133.599 -216.897 121.681 -282.324 -6.72613 -221.865 54.993 -160.016 PRESSAVG: 3611200 63.3311 5.68819 18.4146 5.68812 -87.7844 -24.0111 18.4147 -24.0112 13.4884 GPRESSAVG: 3611200 63.1198 6.11553 17.1028 4.45879 -87.2612 -25.7022 22.0535 -22.6191 13.062 TIMING: 3611200 CPU: 10489.1, 0.00298155/step Wall: 10489.1, 0.00298155/step, 1.15022 hours remaining, 209.042969 MB of memory in use. ENERGY: 3611200 738.0982 2107.7320 1955.5545 121.5347 -205615.0937 17428.4406 0.0000 0.0000 34418.9188 -148844.8148 300.5890 -183263.7337 -148747.8531 300.2268 -211.1457 -181.1444 558988.4271 -3.6549 -3.6931 PRESSURE: 3611400 91.6013 -21.4735 -13.4183 -21.4747 38.6422 18.521 -13.4187 18.5227 170.212 GPRESSURE: 3611400 100.117 -88.2901 5.28069 65.4184 79.2396 2.08544 -13.5571 50.9593 219.707 PRESSAVG: 3611400 11.0713 43.0206 -8.08817 43.0205 -35.5545 11.0995 -8.08827 11.0996 19.0414 GPRESSAVG: 3611400 11.3911 41.8684 -5.91122 44.0708 -36.0714 12.518 -9.4486 10.1918 19.4147 TIMING: 3611400 CPU: 10489.7, 0.00293767/step Wall: 10489.7, 0.00293767/step, 1.13313 hours remaining, 209.042969 MB of memory in use. ENERGY: 3611400 741.8866 2133.9886 1949.3184 106.7116 -206328.3013 18021.0064 0.0000 0.0000 34266.9349 -149108.4548 299.2617 -183375.3897 -149010.2823 299.5467 100.1519 133.0213 558622.1058 -1.8140 -1.7552 PRESSURE: 3611600 235.766 -13.9593 -13.1467 -13.9595 -146.294 -64.973 -13.1467 -64.9721 -36.5096 GPRESSURE: 3611600 238.272 -54.3431 -50.6657 46.3504 -98.36 -121.068 35.151 -2.8817 14.7063 PRESSAVG: 3611600 11.067 -7.59594 -10.7982 -7.59591 -48.9805 -26.2722 -10.7982 -26.2723 17.5969 GPRESSAVG: 3611600 10.2465 -6.82781 -12.1629 -7.08606 -48.8947 -26.1611 -9.92167 -27.0033 18.5912 TIMING: 3611600 CPU: 10490.3, 0.00295474/step Wall: 10490.3, 0.00295474/step, 1.13954 hours remaining, 209.042969 MB of memory in use. ENERGY: 3611600 724.2835 2086.7044 1932.9896 113.7991 -206115.4332 17681.2047 0.0000 0.0000 34473.1240 -149103.3280 301.0624 -183576.4520 -149004.4239 299.7071 17.6538 51.5393 555180.6691 -6.7722 -6.6857 PRESSURE: 3611800 48.117 148.577 29.035 148.577 -132.784 179.417 29.0349 179.416 -131.162 GPRESSURE: 3611800 53.2089 167.359 71.0007 114.071 -118.807 157.01 45.88 189.454 -71.4426 PRESSAVG: 3611800 52.1827 -12.7321 -21.7232 -12.7321 -21.4668 -52.9493 -21.7233 -52.9493 -11.3121 GPRESSAVG: 3611800 52.3475 -13.0086 -21.2984 -12.2923 -21.0578 -52.6209 -21.8139 -53.4144 -12.6203 TIMING: 3611800 CPU: 10490.9, 0.00297352/step Wall: 10490.9, 0.00297352/step, 1.14662 hours remaining, 209.042969 MB of memory in use. ENERGY: 3611800 728.8581 2100.5611 1947.4721 120.1906 -205798.5243 17600.3290 0.0000 0.0000 34274.6789 -149026.4346 299.3293 -183301.1135 -148933.9358 300.4384 -71.9430 -45.6803 557594.0045 6.4679 6.2231 PRESSURE: 3612000 -110.046 -11.7866 29.3868 -11.7872 -251.247 2.98587 29.3881 2.98637 54.7503 GPRESSURE: 3612000 -49.4572 -60.8696 -24.0768 9.89111 -206.366 77.9833 58.9825 -51.7353 40.0774 PRESSAVG: 3612000 23.4973 58.5678 -14.2252 58.5678 -12.193 35.2983 -14.2252 35.2985 -3.64278 GPRESSAVG: 3612000 23.463 58.2487 -14.2997 57.9497 -11.8078 33.5253 -15.9372 38.9294 -4.09108 TIMING: 3612000 CPU: 10491.5, 0.00296178/step Wall: 10491.5, 0.00296178/step, 1.14193 hours remaining, 209.042969 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: 3612000 726.0404 2097.6339 1935.1152 113.6906 -205469.0799 17443.0208 0.0000 0.0000 34211.3006 -148942.2784 298.7758 -183153.5790 -148840.5541 299.8998 -102.1809 -71.9152 558867.0261 2.5539 2.5214 PRESSURE: 3612200 -59.3771 81.0058 -13.0972 81.0061 -173.979 -90.4375 -13.0982 -90.436 9.56079 GPRESSURE: 3612200 -28.7043 146.862 93.5092 19.9413 -91.6099 -82.8142 -77.4026 -44.2275 -13.4828 PRESSAVG: 3612200 26.6846 -2.51881 -39.5233 -2.51875 -14.2163 42.669 -39.5233 42.6691 42.92 GPRESSAVG: 3612200 27.9891 -0.282599 -38.4885 -1.80625 -15.4748 44.5766 -39.0448 40.6111 42.4466 TIMING: 3612200 CPU: 10492.1, 0.00299075/step Wall: 10492.1, 0.00299075/step, 1.15293 hours remaining, 209.042969 MB of memory in use. ENERGY: 3612200 744.4181 2103.6095 1945.8536 106.3667 -205677.3697 17590.8315 0.0000 0.0000 34282.8761 -148903.4141 299.4009 -183186.2902 -148805.0633 300.2298 -74.5985 -44.5990 558609.3494 18.4628 18.3203 LDB: ============= START OF LOAD BALANCING ============== 10495.5 LDB: ============== END OF LOAD BALANCING =============== 10495.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10495.6 LDB: ============= START OF LOAD BALANCING ============== 10495.8 LDB: Largest compute 4820 load 0.031147 is 26.4% of average load 0.117779 LDB: Average compute 0.001731 is 1.5% of average load 0.117779 LDB: TIME 10495.8 LOAD: AVG 0.117779 MAX 0.181348 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 10495.8 LOAD: AVG 0.117779 MAX 0.181348 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 10495.8 LOAD: AVG 0.117779 MAX 0.181348 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: ============== END OF LOAD BALANCING =============== 10495.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10495.9 PRESSURE: 3612400 -281.304 -52.2552 47.7255 -52.2564 -113.091 -136.028 47.7255 -136.03 -239.229 GPRESSURE: 3612400 -242.535 -89.3079 -43.5436 -54.8207 -139.42 -1.45766 102.509 -168.381 -158.412 PRESSAVG: 3612400 4.14657 4.2271 -39.091 4.22713 -24.3654 -27.5119 -39.0911 -27.5119 21.1296 GPRESSAVG: 3612400 2.03308 1.42646 -40.0537 5.85184 -21.9956 -26.8118 -38.2256 -28.7327 21.4582 TIMING: 3612400 CPU: 10492.7, 0.00300858/step Wall: 10492.7, 0.00300858/step, 1.15964 hours remaining, 205.871094 MB of memory in use. ENERGY: 3612400 737.6846 2123.3875 1959.3774 107.7231 -205305.1860 17394.0981 0.0000 0.0000 34129.8434 -148853.0718 298.0644 -182982.9152 -148752.7670 300.0645 -211.2083 -180.1227 558914.9813 0.3036 0.4985 PRESSURE: 3612600 -139.601 -91.8877 3.32833 -91.8887 -78.5232 106.884 3.32768 106.885 32.0209 GPRESSURE: 3612600 -132.887 -91.0479 85.1123 -87.8278 -61.4414 57.0638 -61.3256 3.41854 101.866 PRESSAVG: 3612600 22.1983 -61.7391 10.1648 -61.7391 17.0945 -15.253 10.1648 -15.253 -80.4529 GPRESSAVG: 3612600 22.6524 -62.1428 9.18487 -64.6316 15.9402 -15.9481 9.73348 -15.7207 -80.0614 TIMING: 3612600 CPU: 10493.3, 0.00293821/step Wall: 10493.3, 0.00293821/step, 1.13235 hours remaining, 206.074219 MB of memory in use. ENERGY: 3612600 772.7320 2036.8157 1948.6706 121.4881 -205805.2292 17664.9803 0.0000 0.0000 34234.1067 -149026.4358 298.9750 -183260.5425 -148931.7486 299.5251 -62.0344 -30.8210 557924.6909 -13.7201 -13.8229 PRESSURE: 3612800 -119.762 -30.9822 16.4391 -30.9823 -62.6414 -72.2119 16.4389 -72.2124 -294.07 GPRESSURE: 3612800 -96.9197 -27.5899 -17.7315 -8.22824 -87.881 -27.1687 -26.629 -163.828 -198.4 PRESSAVG: 3612800 32.3627 8.58155 9.76225 8.58144 29.6808 29.6172 9.76226 29.6172 -14.7815 GPRESSAVG: 3612800 32.5082 9.65254 10.9477 10.6376 29.5897 29.103 9.71258 30.4071 -15.2172 TIMING: 3612800 CPU: 10493.9, 0.0029709/step Wall: 10493.9, 0.0029709/step, 1.14479 hours remaining, 206.074219 MB of memory in use. ENERGY: 3612800 725.7798 2098.3404 1956.0805 106.0010 -206126.8030 17685.8113 0.0000 0.0000 34462.8991 -149091.8909 300.9731 -183554.7900 -148998.3325 299.8138 -158.8245 -127.7335 559059.3208 15.7540 15.6269 PRESSURE: 3613000 162.23 -86.9198 162.477 -86.9205 71.3441 86.2129 162.478 86.2122 110.807 GPRESSURE: 3613000 251.102 -140.081 111.516 -62.7948 36.3361 151.755 234.875 101.574 154.696 PRESSAVG: 3613000 -77.415 -55.8608 25.1429 -55.8608 32.214 18.8823 25.1429 18.8824 23.9542 GPRESSAVG: 3613000 -77.603 -56.2268 26.1538 -54.7052 31.5333 18.7518 24.3249 18.7058 24.4646 TIMING: 3613000 CPU: 10494.5, 0.00297409/step Wall: 10494.5, 0.00297409/step, 1.14585 hours remaining, 206.074219 MB of memory in use. ENERGY: 3613000 745.2334 2069.5472 1975.8068 123.2870 -205899.4146 17772.2738 0.0000 0.0000 34218.3418 -148994.9246 298.8373 -183213.2665 -148902.9123 299.9839 114.7936 147.3781 556069.0338 -7.0822 -7.2017 PRESSURE: 3613200 -80.4966 20.2595 -107.253 20.2607 -26.5752 -134.345 -107.253 -134.345 -262.418 GPRESSURE: 3613200 -104.568 64.495 -135.314 23.9912 23.7048 -168.741 -61.8639 -31.3987 -191.13 PRESSAVG: 3613200 32.6434 -40.6095 64.6867 -40.6095 -43.6815 21.0704 64.6866 21.0704 57.1906 GPRESSAVG: 3613200 31.4884 -40.0157 64.103 -41.6284 -43.2819 22.6572 64.3044 20.7168 56.9022 TIMING: 3613200 CPU: 10495, 0.0029436/step Wall: 10495, 0.0029436/step, 1.13394 hours remaining, 206.074219 MB of memory in use. ENERGY: 3613200 760.0158 2067.7258 1963.4483 107.1664 -205848.6655 17597.9402 0.0000 0.0000 34259.7923 -149092.5767 299.1993 -183352.3690 -148997.4081 300.0611 -123.1634 -90.6646 558190.8039 15.3842 15.0362 PRESSURE: 3613400 -107.743 -26.4958 54.7411 -26.4964 -331.484 81.5303 54.7417 81.5306 -34.1393 GPRESSURE: 3613400 -55.1592 -27.752 101.284 -2.93638 -331.388 159.647 -2.77193 -46.8747 21.8991 PRESSAVG: 3613400 -13.9467 -28.7286 -27.1646 -28.7287 -43.1268 6.31154 -27.1646 6.31151 49.5577 GPRESSAVG: 3613400 -13.913 -28.7854 -28.7084 -29.1487 -43.2154 7.40291 -25.2933 6.68392 49.8703 TIMING: 3613400 CPU: 10495.6, 0.0029903/step Wall: 10495.6, 0.0029903/step, 1.15176 hours remaining, 206.074219 MB of memory in use. ENERGY: 3613400 760.3554 2103.1041 1970.0562 107.0520 -205416.6959 17396.3673 0.0000 0.0000 33807.4567 -149272.3041 295.2489 -183079.7609 -149180.6807 299.0453 -157.7888 -121.5493 557323.6972 -2.5053 -2.4193 PRESSURE: 3613600 31.8197 69.3013 35.7583 69.3014 163.781 -191.836 35.7571 -191.836 59.2135 GPRESSURE: 3613600 61.0439 97.7163 -14.5588 163.392 247.544 -174.611 47.1334 -109.02 42.3854 PRESSAVG: 3613600 38.0772 -43.7701 -18.1426 -43.7702 -13.9781 28.0369 -18.1426 28.0369 -7.50008 GPRESSAVG: 3613600 38.4973 -43.1337 -18.1875 -44.8134 -14.2297 27.609 -15.5212 26.7919 -7.57806 TIMING: 3613600 CPU: 10496.2, 0.00295289/step Wall: 10496.2, 0.00295289/step, 1.13719 hours remaining, 206.074219 MB of memory in use. ENERGY: 3613600 764.8240 2066.2490 1951.7645 112.4908 -206286.8055 17952.2436 0.0000 0.0000 34306.5984 -149132.6352 299.6081 -183439.2336 -149041.9269 299.4380 84.9382 116.9911 556423.2790 5.5330 5.5632 PRESSURE: 3613800 -330.873 -71.5173 -53.614 -71.5165 -125.709 -3.59304 -53.6145 -3.59283 103.43 GPRESSURE: 3613800 -293.618 -62.8837 23.6653 39.2062 -45.972 36.6708 -75.8935 20.2817 95.7701 PRESSAVG: 3613800 9.32513 -4.36378 -14.5315 -4.36377 -33.5221 -30.0327 -14.5316 -30.0326 9.08479 GPRESSAVG: 3613800 11.2934 -5.52666 -13.3106 -2.67719 -33.5593 -28.8569 -18.2146 -28.5288 7.90254 TIMING: 3613800 CPU: 10496.8, 0.0029457/step Wall: 10496.8, 0.0029457/step, 1.13426 hours remaining, 206.074219 MB of memory in use. ENERGY: 3613800 725.7882 2023.5046 1941.0818 100.0470 -205258.1340 17302.7225 0.0000 0.0000 34162.7124 -149002.2774 298.3515 -183164.9898 -148903.6632 299.6039 -117.7175 -81.2733 557344.3401 -5.0374 -4.7878 PRESSURE: 3614000 70.9994 -84.5889 -107.331 -84.5884 35.2835 -10.373 -107.331 -10.3714 183.418 GPRESSURE: 3614000 20.2148 -57.1944 -21.9129 -88.3168 117.37 -51.8965 -135.611 -45.5768 240.35 PRESSAVG: 3614000 -12.3478 4.41292 -33.4951 4.41291 -9.83808 -14.3707 -33.495 -14.3706 28.4115 GPRESSAVG: 3614000 -13.6875 4.73152 -32.3824 3.26511 -9.52158 -15.857 -33.7763 -13.6313 29.4409 TIMING: 3614000 CPU: 10497.4, 0.00297873/step Wall: 10497.4, 0.00297873/step, 1.14681 hours remaining, 206.074219 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: 3614000 762.0636 2054.5706 1947.2825 118.8013 -206258.8122 17971.3220 0.0000 0.0000 34329.6468 -149075.1254 299.8093 -183404.7723 -148980.9754 300.0704 96.5671 125.9783 556836.5013 2.0752 2.0773 PRESSURE: 3614200 -137.532 -107.801 -75.2978 -107.799 167.574 68.1319 -75.2982 68.1317 72.9321 GPRESSURE: 3614200 -95.9522 -58.885 -29.7498 -59.1103 236.814 56.2624 -67.9127 4.15971 81.8285 PRESSAVG: 3614200 -18.5162 -12.808 -51.0511 -12.8079 -15.9967 16.6561 -51.0511 16.656 38.0145 GPRESSAVG: 3614200 -19.6796 -12.3022 -52.7016 -12.0546 -14.5612 16.6761 -50.9948 16.0231 38.1445 TIMING: 3614200 CPU: 10498, 0.00299116/step Wall: 10498, 0.00299116/step, 1.15143 hours remaining, 206.074219 MB of memory in use. ENERGY: 3614200 750.3099 2046.2248 1968.8053 125.8770 -206304.8352 17876.5098 0.0000 0.0000 34507.8316 -149029.2767 301.3655 -183537.1083 -148932.7464 299.9914 34.3247 74.2302 559784.2997 1.1672 1.3012 PRESSURE: 3614400 -88.5185 132.418 -44.479 132.418 13.3076 108.435 -44.4783 108.436 -86.6511 GPRESSURE: 3614400 -123.405 115.113 -78.2669 76.9945 25.2162 118.06 0.23747 200.056 18.0371 PRESSAVG: 3614400 -27.9199 41.0151 -61.8701 41.0151 76.2735 36.5782 -61.8701 36.5781 11.6709 GPRESSAVG: 3614400 -27.1445 40.8846 -62.0259 41.1506 75.727 37.7693 -61.639 35.7114 11.0576 TIMING: 3614400 CPU: 10498.6, 0.00297453/step Wall: 10498.6, 0.00297453/step, 1.14486 hours remaining, 206.074219 MB of memory in use. ENERGY: 3614400 750.8177 2101.8255 1932.4137 114.8255 -206218.9615 17833.7663 0.0000 0.0000 34309.6810 -149175.6318 299.6350 -183485.3128 -149071.2145 299.7106 -53.9540 -26.7171 559168.9965 20.0082 19.8801 PRESSURE: 3614600 68.5593 -68.231 176.834 -68.2325 -89.1867 -121.858 176.835 -121.857 180.743 GPRESSURE: 3614600 89.1571 -22.7405 169.083 -92.0017 10.5269 -110.291 152.434 -90.5591 158.696 PRESSAVG: 3614600 -30.3876 -3.21746 -2.50671 -3.21744 51.0526 -13.7884 -2.50665 -13.7885 -50.921 GPRESSAVG: 3614600 -30.252 -3.91423 -1.02509 -3.8375 51.1636 -15.1397 -3.52095 -13.357 -51.649 TIMING: 3614600 CPU: 10499.2, 0.00298912/step Wall: 10499.2, 0.00298912/step, 1.15031 hours remaining, 206.074219 MB of memory in use. ENERGY: 3614600 746.4895 2109.0266 1948.8797 111.8905 -206016.4543 17895.2857 0.0000 0.0000 34184.1062 -149020.7761 298.5383 -183204.8823 -148924.7453 299.0276 53.3719 86.1265 558148.2105 -10.0853 -10.2458 PRESSURE: 3614800 -82.5338 -52.0687 -176.309 -52.0687 -8.40208 25.6003 -176.309 25.5994 -30.4397 GPRESSURE: 3614800 -34.389 117.308 -175.132 -86.1859 2.02647 64.0197 -141.092 81.2021 12.2519 PRESSAVG: 3614800 7.15638 27.8455 -21.3021 27.8455 18.0093 -17.4353 -21.3021 -17.4355 5.74489 GPRESSAVG: 3614800 5.61793 28.0928 -22.1092 28.1058 18.5098 -18.4543 -19.452 -15.1572 6.74164 TIMING: 3614800 CPU: 10499.8, 0.00297873/step Wall: 10499.8, 0.00297873/step, 1.14615 hours remaining, 206.074219 MB of memory in use. ENERGY: 3614800 754.7887 2106.8199 1937.0257 118.4590 -206054.5857 17831.0913 0.0000 0.0000 34377.9101 -148928.4909 300.2308 -183306.4010 -148837.6000 299.7926 -40.4585 -6.7035 558328.5880 10.3035 10.2898 PRESSURE: 3615000 188.834 59.3433 -150.723 59.346 179.026 -8.45914 -150.722 -8.4621 -132.751 GPRESSURE: 3615000 252.373 87.1875 -116.907 39.9748 215.317 17.2574 -193.779 10.1671 -146.683 PRESSAVG: 3615000 15.9936 88.3024 -35.6943 88.3024 -60.9826 -45.7867 -35.6943 -45.7867 40.1382 GPRESSAVG: 3615000 17.237 88.1955 -35.9398 87.8038 -62.0496 -42.4653 -38.6806 -47.1728 39.3963 TIMING: 3615000 CPU: 10500.4, 0.00295652/step Wall: 10500.4, 0.00295652/step, 1.13744 hours remaining, 206.074219 MB of memory in use. ENERGY: 3615000 769.4450 2084.4705 1960.8481 115.3369 -206095.4278 17928.8863 0.0000 0.0000 34264.4450 -148971.9962 299.2399 -183236.4411 -148879.3633 299.7589 78.3697 107.0027 558338.1736 -1.6169 -1.8054 PRESSURE: 3615200 -183.494 180.919 125.539 180.919 -218.661 71.7679 125.54 71.7694 -338.205 GPRESSURE: 3615200 -184.156 143.515 169.311 217.458 -157.404 130.644 107.225 47.9692 -308.22 PRESSAVG: 3615200 15.0503 57.6167 11.1652 57.6168 43.0032 45.6066 11.1653 45.6066 -42.7047 GPRESSAVG: 3615200 15.4207 57.2269 11.0609 59.5256 42.7063 42.8767 12.786 44.1273 -42.8468 TIMING: 3615200 CPU: 10501, 0.00297637/step Wall: 10501, 0.00297637/step, 1.14491 hours remaining, 206.074219 MB of memory in use. ENERGY: 3615200 742.3828 2040.8808 1961.2902 112.3429 -205882.2200 17607.3125 0.0000 0.0000 34203.3261 -149214.6847 298.7062 -183418.0108 -149118.1420 299.5821 -246.7867 -216.5932 559975.2373 5.1163 5.0934 PRESSURE: 3615400 255.988 -49.3225 120.683 -49.3223 360.859 -98.7782 120.683 -98.7777 89.8806 GPRESSURE: 3615400 281.329 -133.674 134.798 -43.6194 373.101 -158.945 70.691 58.7599 151.335 PRESSAVG: 3615400 -4.65823 57.5197 -1.01405 57.5198 19.67 1.2464 -1.01413 1.24633 -5.42262 GPRESSAVG: 3615400 -5.34522 55.8286 -1.44265 55.4099 19.1281 2.20922 -0.52235 3.04092 -4.00432 TIMING: 3615400 CPU: 10501.6, 0.00295745/step Wall: 10501.6, 0.00295745/step, 1.13747 hours remaining, 206.074219 MB of memory in use. ENERGY: 3615400 712.8333 2148.5740 1982.1008 125.9806 -206386.3501 17896.4247 0.0000 0.0000 34337.3272 -149183.1095 299.8764 -183520.4367 -149097.6718 299.3165 235.5760 268.5884 557052.1866 3.1964 3.2595 PRESSURE: 3615600 -241.821 -0.110307 142.51 -0.110876 -48.71 -22.9771 142.51 -22.9771 -92.0382 GPRESSURE: 3615600 -241.525 -73.4699 179.124 118.725 70.6619 102.969 123.923 -85.9195 -103.849 PRESSAVG: 3615600 -35.2755 3.21222 13.979 3.21228 38.2562 31.7254 13.9788 31.7254 17.1259 GPRESSAVG: 3615600 -35.367 6.15829 12.2348 4.71043 38.9068 34.1289 15.8834 30.5342 17.1915 TIMING: 3615600 CPU: 10502.2, 0.00298665/step Wall: 10502.2, 0.00298665/step, 1.14853 hours remaining, 206.074219 MB of memory in use. ENERGY: 3615600 738.2006 2105.2111 1958.8561 104.8361 -205801.3719 17578.7504 0.0000 0.0000 34188.0749 -149127.4426 298.5730 -183315.5175 -149031.5690 299.1741 -127.5229 -91.5707 558848.0953 6.7022 6.9104 PRESSURE: 3615800 -245.207 74.7518 -55.5526 74.7507 235.764 84.3599 -55.5521 84.3597 27.1262 GPRESSURE: 3615800 -163.424 81.4164 -71.2332 60.293 250.419 99.4373 -64.457 84.7628 15.8655 PRESSAVG: 3615800 -9.76437 21.2564 9.71484 21.2564 4.56244 -11.1238 9.71486 -11.1239 -39.0969 GPRESSAVG: 3615800 -9.04275 18.932 11.9256 21.9889 3.87391 -14.5579 6.22169 -9.1632 -39.481 TIMING: 3615800 CPU: 10502.8, 0.00293909/step Wall: 10502.8, 0.00293909/step, 1.13008 hours remaining, 206.074219 MB of memory in use. ENERGY: 3615800 745.6357 2150.3794 1958.9728 107.2292 -206197.8963 17898.0246 0.0000 0.0000 34297.8791 -149039.7756 299.5319 -183337.6547 -148936.7236 299.9046 5.8944 34.2868 556788.6041 -14.7663 -14.8833 PRESSURE: 3616000 75.4837 -131.837 -121.402 -131.838 -17.1091 -133.619 -121.403 -133.62 -28.8761 GPRESSURE: 3616000 90.2137 -80.8581 -106.793 -146.168 10.9587 -159.212 -48.3999 -98.17 16.9049 PRESSAVG: 3616000 22.0519 -18.9061 0.78613 -18.906 -15.7642 21.2584 0.78599 21.2584 -11.0589 GPRESSAVG: 3616000 19.9828 -18.4801 0.241604 -19.936 -14.1554 21.59 3.55194 19.7091 -10.987 TIMING: 3616000 CPU: 10503.4, 0.00296756/step Wall: 10503.4, 0.00296756/step, 1.14086 hours remaining, 206.074219 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: 3616000 738.2713 2136.5951 1989.7546 113.1168 -206091.9778 17793.0099 0.0000 0.0000 34282.0545 -149039.1755 299.3937 -183321.2300 -148946.8542 299.9004 9.8328 39.3591 558021.9416 -1.5904 -1.7199 PRESSURE: 3616200 86.3976 -168.843 -78.1254 -168.843 161.924 -11.6728 -78.1249 -11.6731 -73.7328 GPRESSURE: 3616200 129.182 -193.837 -5.8423 -34.8254 217.673 5.55996 -3.60848 -179.987 -69.9725 PRESSAVG: 3616200 29.0239 -45.5558 -39.2814 -45.5558 74.8386 -33.5562 -39.2814 -33.5561 -54.3601 GPRESSAVG: 3616200 30.4529 -47.2029 -36.8248 -45.7322 73.2971 -33.0541 -41.7189 -34.6321 -54.4173 TIMING: 3616200 CPU: 10504, 0.0029671/step Wall: 10504, 0.0029671/step, 1.14052 hours remaining, 206.074219 MB of memory in use. ENERGY: 3616200 742.9497 2110.4828 1942.3618 118.8510 -206203.9282 17941.4821 0.0000 0.0000 34233.8392 -149113.9616 298.9726 -183347.8008 -149011.7796 299.9354 58.1964 92.2939 558702.3038 16.5008 16.4442 LDB: ============= START OF LOAD BALANCING ============== 10507.4 LDB: ============== END OF LOAD BALANCING =============== 10507.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10507.4 LDB: ============= START OF LOAD BALANCING ============== 10507.7 LDB: Largest compute 4820 load 0.033082 is 28.1% of average load 0.117826 LDB: Average compute 0.001726 is 1.5% of average load 0.117826 LDB: TIME 10507.7 LOAD: AVG 0.117826 MAX 0.18446 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.441 MB LDB: TIME 10507.7 LOAD: AVG 0.117826 MAX 0.18446 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.516 MB LDB: TIME 10507.7 LOAD: AVG 0.117826 MAX 0.18446 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.516 MB LDB: ============== END OF LOAD BALANCING =============== 10507.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10507.7 PRESSURE: 3616400 -179.645 89.8654 101.07 89.8662 277.337 -111.87 101.071 -111.869 -142.729 GPRESSURE: 3616400 -86.3604 51.6681 169.047 146.91 264.109 -113.052 15.4991 -142.628 -126.829 PRESSAVG: 3616400 -28.9711 -0.595474 -11.1591 -0.595497 57.6072 15.775 -11.1591 15.7752 7.8262 GPRESSAVG: 3616400 -27.2451 -0.152678 -14.1234 -0.890022 57.9132 15.0111 -8.51134 18.1119 6.49422 TIMING: 3616400 CPU: 10504.6, 0.00301619/step Wall: 10504.6, 0.00301619/step, 1.15922 hours remaining, 207.355469 MB of memory in use. ENERGY: 3616400 759.7434 2087.4271 1949.3393 119.8559 -206296.1795 17957.6532 0.0000 0.0000 34242.5645 -149179.5961 299.0488 -183422.1606 -149084.4752 299.6647 -15.0123 16.9732 558934.8597 12.1541 12.3874 PRESSURE: 3616600 75.9959 -51.7089 28.6312 -51.7079 -258.193 -6.46076 28.6306 -6.4616 -10.0931 GPRESSURE: 3616600 125.481 -88.5014 47.1365 -32.7287 -250.837 -12.091 19.8255 -60.5831 33.2268 PRESSAVG: 3616600 9.27492 -62.9445 7.30774 -62.9444 -39.9892 18.3886 7.30776 18.3887 -11.4553 GPRESSAVG: 3616600 8.93621 -60.6301 8.60216 -62.9399 -39.0856 17.5152 7.00458 18.7597 -11.6828 TIMING: 3616600 CPU: 10505.1, 0.00293479/step Wall: 10505.1, 0.0029348/step, 1.12778 hours remaining, 207.558594 MB of memory in use. ENERGY: 3616600 758.0895 2097.4840 1949.4814 130.7635 -206003.6516 17465.2712 0.0000 0.0000 34502.7110 -149099.8510 301.3208 -183602.5620 -149004.2348 299.2721 -64.0968 -30.7097 555789.2495 -14.0565 -13.9441 PRESSURE: 3616800 154.972 60.4541 -59.4103 60.4531 1.05986 185.082 -59.4094 185.079 32.0487 GPRESSURE: 3616800 146.812 72.4433 -58.0015 83.3799 52.2534 123.429 -21.4639 193.697 84.6274 PRESSAVG: 3616800 46.5175 -43.3767 4.02724 -43.3767 -72.3112 34.0699 4.02721 34.0699 61.2025 GPRESSAVG: 3616800 46.1826 -42.8458 5.49718 -44.8283 -72.8628 34.5094 1.57262 33.7049 62.0444 TIMING: 3616800 CPU: 10505.7, 0.00294728/step Wall: 10505.7, 0.00294728/step, 1.13241 hours remaining, 207.558594 MB of memory in use. ENERGY: 3616800 784.1466 2154.5606 1935.6016 103.1395 -206117.5084 17800.6466 0.0000 0.0000 34257.7712 -149081.6423 299.1816 -183339.4135 -148989.7659 299.9826 62.6934 94.5642 557001.1491 11.8029 11.7881 PRESSURE: 3617000 19.0231 -131.9 78.4425 -131.899 -97.0945 36.0976 78.4416 36.0964 -159.429 GPRESSURE: 3617000 36.8348 -133.008 -35.4169 -88.4575 -8.88524 23.2387 158.265 107.665 -170.784 PRESSAVG: 3617000 58.7416 -34.464 15.1155 -34.464 -37.6482 38.9264 15.1156 38.9264 -17.7478 GPRESSAVG: 3617000 58.2335 -35.6624 13.2073 -32.0754 -37.3722 41.3232 15.4887 37.6515 -17.495 TIMING: 3617000 CPU: 10506.3, 0.00293769/step Wall: 10506.3, 0.00293769/step, 1.12856 hours remaining, 207.558594 MB of memory in use. ENERGY: 3617000 731.8054 2136.8471 1957.1085 120.7813 -205756.8145 17617.0937 0.0000 0.0000 34036.6330 -149156.5456 297.2504 -183193.1786 -149063.2564 299.2287 -79.1668 -47.6113 557804.0032 1.1152 1.1221 PRESSURE: 3617200 -159.559 -14.9939 157.547 -14.9936 -237.828 12.3642 157.547 12.3633 -305.848 GPRESSURE: 3617200 -123.668 64.3238 51.2561 51.5776 -165.831 -46.9648 207.225 1.53173 -303.35 PRESSAVG: 3617200 -4.38772 24.6405 11.1268 24.6405 65.6022 5.02932 11.1267 5.02933 -1.72113 GPRESSAVG: 3617200 -4.98589 24.3912 11.0756 23.3936 65.4864 3.45529 11.74 5.14809 -0.635656 TIMING: 3617200 CPU: 10506.9, 0.00291623/step Wall: 10506.9, 0.00291623/step, 1.12016 hours remaining, 207.558594 MB of memory in use. ENERGY: 3617200 737.1781 2129.6806 1962.1540 112.6917 -205670.4158 17341.4942 0.0000 0.0000 34312.5720 -149074.6453 299.6602 -183387.2173 -148981.8781 299.5160 -234.4119 -197.6163 557532.7510 19.8311 19.9549 PRESSURE: 3617400 -247.022 -16.8954 5.09597 -16.8958 -124.611 -102.194 5.09559 -102.195 -264.216 GPRESSURE: 3617400 -202.26 -70.5509 -80.1198 -27.6613 -148.532 -117.837 25.9272 -194.312 -198.031 PRESSAVG: 3617400 5.50891 -9.79116 11.2323 -9.79108 37.751 -1.88916 11.2323 -1.88907 -29.3664 GPRESSAVG: 3617400 6.2981 -8.7873 12.413 -11.0469 37.4011 -1.69776 11.2774 -1.94118 -29.6157 TIMING: 3617400 CPU: 10507.5, 0.00293023/step Wall: 10507.5, 0.00293023/step, 1.12537 hours remaining, 207.558594 MB of memory in use. ENERGY: 3617400 763.8315 2079.5906 1984.0706 116.8519 -205664.5627 17581.1446 0.0000 0.0000 34238.6360 -148900.4374 299.0145 -183139.0734 -148806.2110 299.8813 -211.9496 -182.9410 558461.3856 4.6312 4.6945 PRESSURE: 3617600 157.235 91.8552 30.4574 91.8555 -80.7596 189.211 30.4573 189.212 -21.9633 GPRESSURE: 3617600 231.132 -1.09154 -119.036 165.736 -73.3862 135.112 80.4985 206.198 -25.2499 PRESSAVG: 3617600 23.8886 2.47053 17.107 2.47048 95.3973 -30.3814 17.1069 -30.3814 -81.6155 GPRESSAVG: 3617600 24.0006 1.62041 16.6083 3.18028 96.5334 -31.3511 17.926 -29.1247 -83.2211 TIMING: 3617600 CPU: 10508.1, 0.00293532/step Wall: 10508.1, 0.00293532/step, 1.12716 hours remaining, 207.558594 MB of memory in use. ENERGY: 3617600 782.4094 2088.6402 1982.2078 123.8152 -205698.0299 17699.1597 0.0000 0.0000 34219.4857 -148802.3119 298.8473 -183021.7975 -148705.6885 300.4440 18.1708 44.1651 558511.8134 12.5568 12.4376 PRESSURE: 3617800 139.787 204.473 14.4739 204.472 -128.806 -1.76354 14.4742 -1.76537 -31.0987 GPRESSURE: 3617800 192.669 194.003 52.1266 244.142 -123.613 -32.5763 -36.7575 7.2317 10.6981 PRESSAVG: 3617800 55.7631 58.2372 -27.4117 58.2371 -11.8562 -21.9911 -27.4119 -21.9911 -80.5133 GPRESSAVG: 3617800 55.1855 57.4637 -30.0062 59.0609 -12.055 -22.1421 -27.6135 -22.8228 -79.7301 TIMING: 3617800 CPU: 10508.7, 0.00293861/step Wall: 10508.7, 0.00293861/step, 1.12826 hours remaining, 207.558594 MB of memory in use. ENERGY: 3617800 733.3543 2041.8129 1970.2648 108.0171 -206225.1257 17906.5650 0.0000 0.0000 34592.4233 -148872.6883 302.1042 -183465.1116 -148775.8840 300.3949 -6.7056 26.5847 558930.8214 -12.2021 -12.1998 PRESSURE: 3618000 -54.3515 -20.7975 55.9715 -20.7993 -25.7918 52.0042 55.9711 52.0038 92.4502 GPRESSURE: 3618000 -18.7287 -70.0157 82.5902 -17.1655 -25.8139 87.8011 23.9979 47.3251 147.391 PRESSAVG: 3618000 99.0809 18.2686 -77.6444 18.2686 -30.7504 14.6592 -77.6444 14.6592 -47.1783 GPRESSAVG: 3618000 99.5854 21.0431 -76.3252 16.5105 -31.3882 15.9192 -78.5562 15.2095 -47.2637 TIMING: 3618000 CPU: 10509.3, 0.00294669/step Wall: 10509.3, 0.00294669/step, 1.1312 hours remaining, 207.558594 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: 3618000 737.3780 2094.0172 1959.7632 85.6806 -205927.1618 17755.7942 0.0000 0.0000 34295.6799 -148998.8486 299.5127 -183294.5286 -148902.0705 300.1583 4.1023 34.2829 559426.8956 7.0507 6.9778 PRESSURE: 3618200 82.8032 71.5433 -26.9925 71.543 258.79 -26.4232 -26.9933 -26.4238 96.5417 GPRESSURE: 3618200 86.4056 54.9081 -135.513 35.3843 315.392 -38.9359 17.1784 35.6065 128.034 PRESSAVG: 3618200 19.7908 52.3901 10.4168 52.3901 -44.3929 66.5805 10.4167 66.5804 -28.0074 GPRESSAVG: 3618200 18.8379 52.1785 11.572 52.4496 -43.3326 66.489 12.0725 66.5884 -27.6378 TIMING: 3618200 CPU: 10509.8, 0.00295441/step Wall: 10509.8, 0.00295441/step, 1.134 hours remaining, 207.558594 MB of memory in use. ENERGY: 3618200 714.8910 2177.8903 1958.1263 114.2048 -206425.2738 17954.1332 0.0000 0.0000 34401.2529 -149104.7754 300.4347 -183506.0283 -149012.3107 299.4135 146.0450 176.6105 558034.1499 -17.5365 -17.3775 PRESSURE: 3618400 271.004 34.901 22.8088 34.9018 9.91943 71.6854 22.8093 71.6875 0.437368 GPRESSURE: 3618400 318.525 78.3466 -57.5661 -83.1984 -30.3929 62.3819 14.9309 -41.5634 103.11 PRESSAVG: 3618400 14.9181 22.24 15.924 22.24 -59.4566 -19.3022 15.9241 -19.3022 24.1694 GPRESSAVG: 3618400 15.4776 20.3333 15.8574 23.5808 -59.6571 -19.0253 15.5669 -21.2756 23.6738 TIMING: 3618400 CPU: 10510.4, 0.00294115/step Wall: 10510.4, 0.00294115/step, 1.12875 hours remaining, 207.558594 MB of memory in use. ENERGY: 3618400 741.3013 2139.1933 1949.5022 109.9811 -206543.1280 17972.7061 0.0000 0.0000 34406.8360 -149223.6080 300.4835 -183630.4440 -149130.2178 299.8782 93.7869 130.4140 557402.7541 -6.7897 -6.8352 PRESSURE: 3618600 102.693 32.0407 224.191 32.0407 81.9097 -109.235 224.191 -109.234 -33.6745 GPRESSURE: 3618600 131.859 -25.2215 229.24 66.9422 101.343 -122.197 234.547 -189.387 9.79793 PRESSAVG: 3618600 10.5521 42.6899 -12.791 42.6899 43.3619 -39.2636 -12.791 -39.2636 -70.7157 GPRESSAVG: 3618600 10.9902 43.1136 -13.8348 43.3675 43.426 -40.1974 -11.7507 -37.1937 -70.9969 TIMING: 3618600 CPU: 10511, 0.00294684/step Wall: 10511, 0.00294684/step, 1.13077 hours remaining, 207.558594 MB of memory in use. ENERGY: 3618600 768.2316 2129.0222 1955.2544 112.2040 -206265.2536 17875.4587 0.0000 0.0000 34338.1036 -149086.9791 299.8832 -183425.0828 -148987.6209 299.6180 50.3094 81.0001 555498.0193 -5.6006 -5.5269 PRESSURE: 3618800 19.7827 19.8212 -77.3252 19.8193 -99.0276 -107.051 -77.325 -107.05 -176.143 GPRESSURE: 3618800 16.2206 -44.2219 -155.378 54.3695 -74.9276 -145.973 3.20384 -95.6136 -102.403 PRESSAVG: 3618800 -45.3129 40.8263 -19.517 40.8263 -35.9918 -27.9878 -19.5172 -27.9878 93.3002 GPRESSAVG: 3618800 -44.6513 40.5924 -18.561 42.3822 -36.3123 -28.6158 -19.9712 -26.6833 92.7676 TIMING: 3618800 CPU: 10511.6, 0.00292802/step Wall: 10511.6, 0.00292802/step, 1.12339 hours remaining, 207.558594 MB of memory in use. ENERGY: 3618800 756.1983 2071.8857 1956.1317 105.8836 -206055.3314 17584.0982 0.0000 0.0000 34586.7023 -148994.4316 302.0543 -183581.1339 -148894.4219 300.6594 -85.1294 -53.7033 557117.0566 3.9985 3.9347 PRESSURE: 3619000 -112.692 33.9044 74.288 33.9042 -175.284 -160.133 74.2901 -160.131 -7.93441 GPRESSURE: 3619000 -140.911 -31.601 -60.8345 76.203 -132.058 -198.978 106.206 -58.9697 84.2407 PRESSAVG: 3619000 -26.7746 -0.151192 -25.612 -0.151119 54.8029 -40.2987 -25.6119 -40.2988 -18.4278 GPRESSAVG: 3619000 -27.3828 2.17087 -28.1404 -1.94258 55.7315 -38.9913 -24.3659 -41.3846 -19.047 TIMING: 3619000 CPU: 10512.2, 0.00292019/step Wall: 10512.2, 0.00292019/step, 1.12022 hours remaining, 207.558594 MB of memory in use. ENERGY: 3619000 774.4862 2106.4712 1972.2162 102.0002 -206044.2521 17727.8764 0.0000 0.0000 34465.1071 -148896.0948 300.9924 -183361.2020 -148797.9896 300.2872 -98.6369 -62.9096 556977.5576 3.2002 3.1006 PRESSURE: 3619200 48.2589 -75.2201 76.6378 -75.2198 122.211 -70.7768 76.6383 -70.776 -37.3145 GPRESSURE: 3619200 130.501 -144.362 78.9743 -53.7513 85.3788 -72.8516 -6.03166 -112.839 10.0677 PRESSAVG: 3619200 -0.821357 20.5836 -82.9269 20.5836 -3.0946 6.32854 -82.9269 6.32846 -18.7495 GPRESSAVG: 3619200 -1.04857 18.3987 -81.2447 18.978 -4.77458 5.60074 -82.9757 5.7976 -17.2829 TIMING: 3619200 CPU: 10512.8, 0.00292355/step Wall: 10512.8, 0.00292355/step, 1.12134 hours remaining, 207.558594 MB of memory in use. ENERGY: 3619200 735.1619 2110.8380 1953.9003 119.4421 -206070.6217 17826.2590 0.0000 0.0000 34376.6107 -148948.4098 300.2195 -183325.0205 -148853.1102 300.1283 44.3852 75.3158 557976.6021 -7.5551 -7.7020 PRESSURE: 3619400 117.095 25.2285 58.5131 25.2276 214.518 -39.3513 58.5131 -39.3494 268.627 GPRESSURE: 3619400 167.898 75.4901 29.2148 -105.304 239.716 -7.87348 115.533 11.9034 272.848 PRESSAVG: 3619400 -15.6194 10.3246 10.7231 10.3246 32.0717 -17.0165 10.7232 -17.0163 4.08689 GPRESSAVG: 3619400 -15.8681 9.68303 10.7778 12.1238 32.6794 -16.4702 9.5739 -16.6899 3.83488 TIMING: 3619400 CPU: 10513.4, 0.00294379/step Wall: 10513.4, 0.00294379/step, 1.12894 hours remaining, 207.558594 MB of memory in use. ENERGY: 3619400 722.9292 2096.0583 1974.8700 112.9001 -206238.5311 18107.2238 0.0000 0.0000 34361.9483 -148862.6013 300.0914 -183224.5496 -148762.6769 299.9658 200.0800 226.8209 557362.4453 6.8464 6.8821 PRESSURE: 3619600 76.17 5.17235 108.749 5.17185 5.03689 -13.7576 108.749 -13.7578 32.5352 GPRESSURE: 3619600 151.156 -25.1884 103.878 74.9642 -25.567 66.8995 133.694 -42.0087 98.0948 PRESSAVG: 3619600 10.8958 -4.49228 -3.2043 -4.49227 -6.60369 19.7658 -3.20424 19.7657 -17.9724 GPRESSAVG: 3619600 10.7562 -2.76228 -4.66168 -4.79758 -7.86051 21.0347 -4.01613 17.9272 -16.1244 TIMING: 3619600 CPU: 10514, 0.00292921/step Wall: 10514, 0.00292921/step, 1.12319 hours remaining, 207.558594 MB of memory in use. ENERGY: 3619600 678.6605 2108.9650 1950.1200 111.9544 -205576.3168 17634.8101 0.0000 0.0000 34181.3765 -148910.4304 298.5145 -183091.8069 -148817.2257 299.8599 37.9140 74.5613 558134.5605 -4.5601 -4.4096 PRESSURE: 3619800 150.231 32.9415 11.4052 32.9418 193.104 -31.097 11.4055 -31.0971 73.0438 GPRESSURE: 3619800 163.281 64.7811 19.837 -58.2525 188.205 -101.67 15.2278 -58.5514 163.146 PRESSAVG: 3619800 22.9752 -10.5455 -35.803 -10.5454 -4.32596 -37.4338 -35.8029 -37.4339 -15.5074 GPRESSAVG: 3619800 22.5682 -9.78474 -35.345 -12.584 -2.6645 -40.3731 -35.0616 -34.9063 -16.9718 TIMING: 3619800 CPU: 10514.5, 0.0029402/step Wall: 10514.5, 0.0029402/step, 1.12724 hours remaining, 207.558594 MB of memory in use. ENERGY: 3619800 736.4265 2064.1981 1974.5483 108.6719 -206340.8540 18110.3699 0.0000 0.0000 34295.2343 -149051.4050 299.5088 -183346.6393 -148948.9440 300.2568 138.7930 171.5440 558024.6127 1.0473 0.9773 PRESSURE: 3620000 46.871 -27.9551 -116.873 -27.9542 -21.2201 -19.3134 -116.873 -19.3141 11.9061 GPRESSURE: 3620000 87.5624 -7.22871 -86.3352 -66.5321 27.0293 -12.933 -79.1075 -50.862 7.30105 PRESSAVG: 3620000 21.0739 -50.0215 -5.47801 -50.0216 -9.75339 -33.0642 -5.47788 -33.0641 20.8403 GPRESSAVG: 3620000 20.0388 -48.9149 -4.72764 -48.4366 -9.05801 -31.0184 -6.66046 -36.7715 21.1627 TIMING: 3620000 CPU: 10515.1, 0.0029389/step Wall: 10515.1, 0.0029389/step, 1.12658 hours remaining, 207.558594 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: 3620000 732.3917 2140.9961 1983.2152 114.5501 -206237.4455 17897.8247 0.0000 0.0000 34294.3658 -149074.1019 299.5012 -183368.4676 -148986.0858 299.5658 12.5190 40.6309 557103.9691 10.7203 10.7145 PRESSURE: 3620200 -1.26275 -36.986 82.8662 -36.9861 47.6576 -28.6623 82.8645 -28.6622 -77.2275 GPRESSURE: 3620200 -1.53265 -0.46417 85.1787 -48.0164 119.903 67.2869 5.79185 -64.8849 -51.911 PRESSAVG: 3620200 -3.38443 34.0171 -7.18736 34.0172 25.7153 -69.2563 -7.1874 -69.2562 -19.6036 GPRESSAVG: 3620200 -1.57015 31.2396 -5.28182 33.6869 24.3108 -70.448 -7.93406 -65.7157 -18.9832 TIMING: 3620200 CPU: 10515.7, 0.00295012/step Wall: 10515.7, 0.00295012/step, 1.13072 hours remaining, 207.558594 MB of memory in use. ENERGY: 3620200 708.8914 2080.9096 1977.3713 112.3397 -205944.9865 17869.5191 0.0000 0.0000 34063.8230 -149132.1324 297.4878 -183195.9554 -149031.8569 298.6603 -10.2775 22.1531 558847.4234 0.9091 1.2525 LDB: ============= START OF LOAD BALANCING ============== 10519.2 LDB: ============== END OF LOAD BALANCING =============== 10519.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10519.2 LDB: ============= START OF LOAD BALANCING ============== 10519.5 LDB: Largest compute 4820 load 0.032044 is 27.2% of average load 0.117906 LDB: Average compute 0.001720 is 1.5% of average load 0.117906 LDB: TIME 10519.5 LOAD: AVG 0.117906 MAX 0.185924 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 10519.5 LOAD: AVG 0.117906 MAX 0.185924 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.836 MB LDB: TIME 10519.5 LOAD: AVG 0.117906 MAX 0.185924 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.836 MB LDB: ============== END OF LOAD BALANCING =============== 10519.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10519.5 PRESSURE: 3620400 -275.802 117.602 -141.519 117.602 26.0658 2.03908 -141.518 2.03849 -8.92405 GPRESSURE: 3620400 -185.139 -6.36722 -50.6161 174.161 6.92144 -6.9043 -186.108 -42.753 11.9665 PRESSAVG: 3620400 11.7043 -8.41479 6.62958 -8.41478 19.0516 -41.5126 6.62948 -41.5126 -47.5198 GPRESSAVG: 3620400 11.4857 -8.46341 5.30515 -8.83602 19.599 -41.1912 8.7249 -42.1968 -48.037 TIMING: 3620400 CPU: 10516.3, 0.00301334/step Wall: 10516.3, 0.00301334/step, 1.15478 hours remaining, 206.390625 MB of memory in use. ENERGY: 3620400 742.8659 2091.8477 1937.5417 115.3469 -206016.4225 17535.0490 0.0000 0.0000 34423.9449 -149169.8264 300.6329 -183593.7713 -149072.1453 299.4962 -86.2202 -55.4169 556943.6220 -5.5879 -5.6508 PRESSURE: 3620600 8.48486 197.065 -68.1247 197.066 -110.362 38.3491 -68.1234 38.3472 -202.924 GPRESSURE: 3620600 113.693 202.633 -90.8985 185.918 -82.4826 -31.5219 -54.4594 10.0858 -247.877 PRESSAVG: 3620600 7.64974 33.9008 7.52653 33.9009 17.2565 -57.2731 7.52655 -57.2731 -11.6164 GPRESSAVG: 3620600 7.48796 33.715 7.14031 34.1163 18.8457 -57.2934 8.7384 -57.8302 -12.3849 TIMING: 3620600 CPU: 10516.9, 0.00295867/step Wall: 10516.9, 0.00295867/step, 1.13366 hours remaining, 206.390625 MB of memory in use. ENERGY: 3620600 715.5043 2063.2295 1940.7754 118.4104 -205852.2349 17636.9626 0.0000 0.0000 34320.2742 -149057.0786 299.7275 -183377.3527 -148962.0324 299.7541 -101.6002 -72.2220 559162.2220 4.4299 4.6496 PRESSURE: 3620800 170.549 115.254 -34.158 115.254 -133.837 75.9342 -34.1569 75.9337 33.9121 GPRESSURE: 3620800 183.34 118.775 4.48304 134.971 -151.964 55.5288 -109.059 96.1579 136.087 PRESSAVG: 3620800 36.8495 1.90829 -81.2614 1.90838 12.5359 -46.0373 -81.2614 -46.0372 -28.5824 GPRESSAVG: 3620800 36.782 3.40987 -80.7338 1.40538 13.0603 -45.5264 -82.6282 -47.4926 -28.2474 TIMING: 3620800 CPU: 10517.5, 0.00294033/step Wall: 10517.5, 0.00294033/step, 1.12647 hours remaining, 206.390625 MB of memory in use. ENERGY: 3620800 785.4632 2039.7091 1951.3861 111.1694 -206039.3135 17767.1052 0.0000 0.0000 34271.2477 -149113.2328 299.2993 -183384.4805 -149008.2367 299.1078 23.5415 55.8209 557132.1878 6.9344 7.1983 PRESSURE: 3621000 46.5689 71.3574 56.6623 71.3579 -56.863 -119.697 56.6623 -119.696 -71.7605 GPRESSURE: 3621000 78.387 35.8175 -5.46 101.073 -50.5054 -35.4199 51.815 -159.585 -22.1278 PRESSAVG: 3621000 52.6823 -12.9826 -77.3789 -12.9827 -33.2173 -25.3079 -77.3789 -25.308 4.12 GPRESSAVG: 3621000 52.9633 -15.7326 -76.6687 -10.7798 -34.4206 -23.8715 -78.1047 -25.1725 4.56512 TIMING: 3621000 CPU: 10518.1, 0.00294115/step Wall: 10518.1, 0.00294115/step, 1.12663 hours remaining, 206.390625 MB of memory in use. ENERGY: 3621000 741.2319 2027.1300 1953.7211 120.7713 -206033.5478 17648.0640 0.0000 0.0000 34343.8820 -149198.7475 299.9337 -183542.6295 -149109.7854 299.1001 -27.3515 1.9179 556857.3811 7.8617 7.7026 PRESSURE: 3621200 -169.82 -26.9284 -73.6305 -26.9299 -131.514 21.5232 -73.6307 21.5233 -169.336 GPRESSURE: 3621200 -101.558 13.4259 -64.5155 -37.182 -124.439 -40.3733 -76.998 -16.4678 -159.795 PRESSAVG: 3621200 -15.3652 -8.42494 -22.9258 -8.42492 6.75256 42.7721 -22.9257 42.772 -1.55371 GPRESSAVG: 3621200 -15.0035 -6.3106 -23.2731 -9.54933 6.91564 40.6784 -22.3866 44.529 -2.29194 TIMING: 3621200 CPU: 10518.7, 0.00298124/step Wall: 10518.7, 0.00298124/step, 1.14182 hours remaining, 206.460938 MB of memory in use. ENERGY: 3621200 744.9418 2094.9475 1938.0248 109.0310 -205959.8684 17569.5367 0.0000 0.0000 34346.3877 -149156.9988 299.9555 -183503.3865 -149059.2605 298.8223 -156.8903 -128.5975 557763.2608 -3.3888 -3.4599 PRESSURE: 3621400 85.0839 -41.6025 49.869 -41.6035 216.103 -79.3132 49.8687 -79.3137 156.588 GPRESSURE: 3621400 132.581 -97.0701 26.8468 -61.2778 233.785 -92.9266 47.6823 -86.5776 182.544 PRESSAVG: 3621400 17.8168 -45.2985 41.3164 -45.2986 4.05009 17.321 41.3164 17.3209 -8.74616 GPRESSAVG: 3621400 17.3508 -45.6288 41.3116 -46.8278 3.78623 17.7218 40.8996 14.9737 -8.52247 TIMING: 3621400 CPU: 10519.3, 0.00295793/step Wall: 10519.3, 0.00295793/step, 1.13272 hours remaining, 206.460938 MB of memory in use. ENERGY: 3621400 721.0013 2075.7093 1961.6343 112.1543 -206117.2140 17943.5369 0.0000 0.0000 34294.1868 -149008.9910 299.4997 -183303.1779 -148903.6118 299.5552 152.5917 182.9699 557136.2391 4.3736 4.2049 PRESSURE: 3621600 4.82029 -72.6367 191.447 -72.6374 30.1383 52.333 191.447 52.3321 -357.578 GPRESSURE: 3621600 27.3238 -91.8967 288.707 -91.0428 16.1098 15.4887 135.487 21.4295 -284.377 PRESSAVG: 3621600 2.45306 0.0963794 -17.6392 0.0964925 63.8488 4.28433 -17.6392 4.28439 -70.7951 GPRESSAVG: 3621600 2.71028 -0.16388 -16.1906 0.677422 63.1079 3.71028 -19.2217 5.81355 -70.3393 TIMING: 3621600 CPU: 10519.9, 0.00295157/step Wall: 10519.9, 0.00295157/step, 1.13012 hours remaining, 206.460938 MB of memory in use. ENERGY: 3621600 745.5385 2093.2713 1972.2694 117.6246 -205850.2921 17470.1723 0.0000 0.0000 34377.3200 -149074.0959 300.2257 -183451.4159 -148974.2438 300.1912 -107.5399 -80.3145 557288.3575 -1.4978 -1.5070 PRESSURE: 3621800 182.305 -23.031 147.255 -23.0312 -177.588 39.1657 147.253 39.1683 -347.823 GPRESSURE: 3621800 191.925 -24.4807 117.868 -14.0222 -146.482 -20.6291 138.886 12.8128 -287.416 PRESSAVG: 3621800 40.0827 36.1407 57.3503 36.1407 -1.832 -0.00902136 57.3503 -0.00894048 -36.1618 GPRESSAVG: 3621800 38.7798 36.3949 57.1691 37.2847 -1.2861 2.29431 58.736 -1.60854 -35.4832 TIMING: 3621800 CPU: 10520.5, 0.00296123/step Wall: 10520.5, 0.00296123/step, 1.13366 hours remaining, 206.460938 MB of memory in use. ENERGY: 3621800 767.7417 2072.8173 1945.1614 111.7860 -206132.2911 17667.0057 0.0000 0.0000 34427.3041 -149140.4749 300.6622 -183567.7790 -149048.6772 299.9028 -114.3683 -80.6576 558309.8534 0.6963 0.6702 PRESSURE: 3622000 53.7555 -79.4441 39.8741 -79.4439 -52.4059 237.678 39.8753 237.68 -219.934 GPRESSURE: 3622000 33.1275 -85.7654 10.2131 -78.8925 -9.66177 235.996 104.176 268.101 -141.192 PRESSAVG: 3622000 14.2083 -24.2525 -26.3846 -24.2525 -2.47908 -47.1213 -26.3844 -47.1212 -33.6121 GPRESSAVG: 3622000 14.9365 -23.7589 -27.6988 -25.6869 -2.41058 -49.1067 -25.8239 -44.8731 -34.2841 TIMING: 3622000 CPU: 10521.1, 0.00297051/step Wall: 10521.1, 0.00297051/step, 1.13705 hours remaining, 206.460938 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: 3622000 725.0449 2098.7840 1951.0706 122.8627 -205761.3856 17569.7407 0.0000 0.0000 34144.8575 -149149.0252 298.1955 -183293.8827 -149048.7787 298.7745 -72.8614 -39.2422 557625.8130 -7.2943 -7.2527 PRESSURE: 3622200 99.4285 -61.346 123.982 -61.3446 -13.6331 -4.74511 123.982 -4.7445 -117.19 GPRESSURE: 3622200 141.848 64.4047 79.2721 -77.4361 61.373 20.9586 102.409 24.9966 -136.567 PRESSAVG: 3622200 10.3948 -41.0058 56.0061 -41.0058 -25.5042 12.8792 56.0063 12.8792 13.7291 GPRESSAVG: 3622200 10.0421 -41.3664 56.8659 -39.8092 -25.2782 13.9545 55.3653 11.3742 14.3695 TIMING: 3622200 CPU: 10521.6, 0.00294341/step Wall: 10521.6, 0.00294341/step, 1.12651 hours remaining, 206.460938 MB of memory in use. ENERGY: 3622200 722.2167 2099.1319 1983.2379 110.2023 -206407.6658 17893.7930 0.0000 0.0000 34251.2478 -149347.8362 299.1247 -183599.0841 -149253.1918 298.5803 -10.4647 22.2179 557446.5243 -0.4601 -0.2889 PRESSURE: 3622400 38.7202 -3.69692 -33.3146 -3.69756 52.1461 69.4587 -33.3147 69.4589 158.443 GPRESSURE: 3622400 67.7357 -76.2956 -110.782 18.8971 81.8437 95.923 -105.057 78.8032 182.237 PRESSAVG: 3622400 -27.9756 19.1806 -6.95799 19.1806 -2.03248 52.6214 -6.95791 52.6215 23.8411 GPRESSAVG: 3622400 -26.1088 18.7399 -5.927 20.7381 -3.23162 54.2416 -5.75745 51.4348 22.5521 TIMING: 3622400 CPU: 10522.2, 0.00294669/step Wall: 10522.2, 0.00294669/step, 1.1276 hours remaining, 206.460938 MB of memory in use. ENERGY: 3622400 719.7024 2061.9170 1955.5706 122.9451 -206076.4149 17844.3159 0.0000 0.0000 33869.1171 -149502.8469 295.7874 -183371.9639 -149414.1797 298.2804 83.1031 110.6053 556780.7927 -2.0557 -2.2628 PRESSURE: 3622600 197.531 -106.48 -46.1653 -106.481 -163.87 -18.0565 -46.1643 -18.0559 -5.19142 GPRESSURE: 3622600 224.991 -62.2778 -79.1957 -38.1357 -105.788 -55.1723 -52.8229 -38.9412 19.7298 PRESSAVG: 3622600 4.37596 4.53979 -5.07927 4.53975 21.1114 -18.2231 -5.07937 -18.223 29.299 GPRESSAVG: 3622600 3.13134 5.86903 -5.85577 2.56867 21.226 -20.6841 -7.7587 -16.6609 30.7082 TIMING: 3622600 CPU: 10522.8, 0.00295636/step Wall: 10522.8, 0.00295636/step, 1.13114 hours remaining, 206.460938 MB of memory in use. ENERGY: 3622600 763.6479 2037.8965 1959.4284 110.9636 -206618.5603 18067.7696 0.0000 0.0000 34378.0334 -149300.8209 300.2319 -183678.8543 -149208.8637 298.1835 9.4897 46.3109 557034.3816 18.2621 18.3552 PRESSURE: 3622800 -199.37 79.5852 -43.2399 79.5853 66.4884 -125.442 -43.2411 -125.442 -18.3041 GPRESSURE: 3622800 -230.548 93.9039 -27.1278 85.64 113.973 -193.725 -65.4992 -165.924 64.9031 PRESSAVG: 3622800 -27.3455 33.7837 -44.5616 33.7837 54.7826 -30.8842 -44.5615 -30.8842 -4.65931 GPRESSAVG: 3622800 -29.8556 32.7683 -46.8021 34.5628 56.4799 -27.8939 -41.1861 -32.6308 -4.15112 TIMING: 3622800 CPU: 10523.4, 0.00293606/step Wall: 10523.4, 0.00293606/step, 1.12321 hours remaining, 206.460938 MB of memory in use. ENERGY: 3622800 747.0130 2074.0535 1949.3802 112.3970 -206309.6476 17710.1110 0.0000 0.0000 34479.7473 -149236.9456 301.1202 -183716.6929 -149141.4177 299.4125 -50.3951 -17.2240 556084.6863 7.5926 7.4911 PRESSURE: 3623000 121.469 34.441 51.331 34.4405 -5.25174 12.8192 51.3311 12.8182 -231.893 GPRESSURE: 3623000 168.564 30.4489 -9.59157 27.4783 16.0354 -54.0687 77.8033 55.8038 -218.038 PRESSAVG: 3623000 -10.5515 26.0449 -13.6696 26.045 23.6528 8.44681 -13.6697 8.4468 -15.5603 GPRESSAVG: 3623000 -8.13036 26.6682 -10.2403 25.7094 22.6749 7.94167 -14.6825 8.70504 -16.5016 TIMING: 3623000 CPU: 10524, 0.00294356/step Wall: 10524, 0.00294356/step, 1.12591 hours remaining, 206.460938 MB of memory in use. ENERGY: 3623000 747.5440 2065.7714 1955.7940 120.9321 -205925.4897 17615.9283 0.0000 0.0000 34267.5852 -149151.9346 299.2673 -183419.5198 -149055.1728 299.7277 -38.5586 -11.1464 556320.9367 -0.8196 -0.6524 PRESSURE: 3623200 -193.506 95.553 -139.758 95.5524 -262.194 62.4521 -139.757 62.4533 -141.319 GPRESSURE: 3623200 -165.053 80.8599 -147.598 102.701 -233.76 100.995 -125.201 85.6192 -109.685 PRESSAVG: 3623200 4.53503 -77.384 35.493 -77.384 37.3763 -14.7502 35.4929 -14.7502 -17.6035 GPRESSAVG: 3623200 4.29905 -78.0904 35.9236 -78.0449 38.0018 -14.4015 33.7721 -14.3592 -17.8726 TIMING: 3623200 CPU: 10524.6, 0.00290257/step Wall: 10524.6, 0.00290257/step, 1.11007 hours remaining, 206.460938 MB of memory in use. ENERGY: 3623200 758.7173 2106.0570 1966.9410 119.4851 -205816.9030 17462.2147 0.0000 0.0000 34279.3512 -149124.1368 299.3701 -183403.4880 -149027.7219 299.2337 -199.0066 -169.4994 558220.8192 8.1026 8.1428 PRESSURE: 3623400 -379.945 -17.7426 12.3499 -17.7423 86.6571 -56.1527 12.3496 -56.1514 72.1562 GPRESSURE: 3623400 -295.53 -88.139 -24.4364 6.88266 64.7076 -88.8175 105.289 -74.21 116.574 PRESSAVG: 3623400 -36.7149 3.31695 21.4405 3.31701 26.0213 -5.53519 21.4405 -5.5352 -2.37908 GPRESSAVG: 3623400 -36.5099 3.74181 20.2213 2.97392 25.763 -6.29341 21.2299 -3.6257 -1.75104 TIMING: 3623400 CPU: 10525.2, 0.00293759/step Wall: 10525.2, 0.00293759/step, 1.1233 hours remaining, 206.460938 MB of memory in use. ENERGY: 3623400 750.9826 2057.0553 1936.8732 116.4673 -205923.9359 17720.0221 0.0000 0.0000 34341.4328 -149001.1026 299.9123 -183342.5354 -148906.5304 299.5287 -73.7106 -38.0830 557826.3870 -4.3576 -4.1660 PRESSURE: 3623600 11.072 25.6414 39.4118 25.6412 -100.995 -207.928 39.4138 -207.927 184.851 GPRESSURE: 3623600 15.8283 34.9605 34.7779 72.4596 -52.1654 -249.782 -14.7021 -158.899 215.331 PRESSAVG: 3623600 -9.84734 4.70003 -55.9579 4.70001 -70.635 -34.3481 -55.9578 -34.348 40.8966 GPRESSAVG: 3623600 -9.28241 5.32128 -56.6062 5.62754 -70.5328 -37.0149 -55.1727 -35.3928 40.6223 TIMING: 3623600 CPU: 10525.8, 0.0029337/step Wall: 10525.8, 0.0029337/step, 1.12165 hours remaining, 206.460938 MB of memory in use. ENERGY: 3623600 728.4647 2126.8767 1954.3659 112.3866 -206166.4729 17817.8221 0.0000 0.0000 34323.1057 -149103.4512 299.7522 -183426.5569 -149009.8241 299.8842 31.6427 59.6648 557569.1366 -13.1952 -13.0643 PRESSURE: 3623800 -232.732 232.746 -46.0428 232.746 -414.661 60.8339 -46.0423 60.8332 -413.397 GPRESSURE: 3623800 -265.11 176.081 -73.3619 279.088 -352.502 65.5308 -1.52663 30.6892 -341.905 PRESSAVG: 3623800 2.52528 6.44505 24.642 6.44505 4.6733 -17.1573 24.6421 -17.1574 36.2833 GPRESSAVG: 3623800 2.64389 5.18471 23.7871 8.11644 4.48576 -13.4221 26.0713 -17.4939 37.0632 TIMING: 3623800 CPU: 10526.3, 0.00292996/step Wall: 10526.3, 0.00292996/step, 1.12006 hours remaining, 206.460938 MB of memory in use. ENERGY: 3623800 739.6839 2069.5096 1997.4835 120.3626 -205263.6988 17157.3223 0.0000 0.0000 34202.0140 -148977.3229 298.6947 -183179.3368 -148886.5442 299.6450 -353.5966 -319.8389 558620.4605 14.4940 14.7310 PRESSURE: 3624000 -34.9348 -4.85122 24.5716 -4.85134 -409.97 -102.004 24.5716 -102.004 -229.583 GPRESSURE: 3624000 -20.8791 55.2256 70.7481 -71.1613 -339.511 -100.434 14.8262 -121.039 -206.42 PRESSAVG: 3624000 -31.0793 3.66801 -18.1694 3.66798 -18.6233 21.0134 -18.1694 21.0133 36.3521 GPRESSAVG: 3624000 -31.5745 3.44901 -14.723 0.718475 -18.9084 20.4196 -19.0724 20.5465 36.9275 TIMING: 3624000 CPU: 10526.9, 0.00290151/step Wall: 10526.9, 0.00290151/step, 1.10902 hours remaining, 206.460938 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: 3624000 770.7561 2122.3794 1996.4913 111.2684 -205937.4873 17632.3203 0.0000 0.0000 34363.2673 -148941.0045 300.1030 -183304.2718 -148845.4298 300.3789 -224.8293 -188.9368 558329.2251 -4.4502 -4.5185 PRESSURE: 3624200 -42.3842 -74.4539 99.2781 -74.4552 -133.605 -119.771 99.2771 -119.771 -81.3504 GPRESSURE: 3624200 -26.0036 -91.0712 36.7617 -147.301 -81.4663 -114.7 178.626 -118.977 -46.0573 PRESSAVG: 3624200 -30.9195 -0.360262 33.8222 -0.360247 -17.708 12.8699 33.8224 12.87 46.1322 GPRESSAVG: 3624200 -29.8049 -0.463405 31.0023 0.471474 -17.4853 13.339 33.8165 13.3615 44.9115 TIMING: 3624200 CPU: 10527.5, 0.00292199/step Wall: 10527.5, 0.00292199/step, 1.11669 hours remaining, 206.460938 MB of memory in use. ENERGY: 3624200 711.3806 2136.2885 1971.6154 120.0355 -206085.2176 17754.5552 0.0000 0.0000 34242.0987 -149149.2437 299.0448 -183391.3424 -149053.7614 299.5337 -85.7797 -51.1757 558146.4505 -0.8318 -0.7929 LDB: ============= START OF LOAD BALANCING ============== 10531 LDB: ============== END OF LOAD BALANCING =============== 10531 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10531 LDB: ============= START OF LOAD BALANCING ============== 10531.3 LDB: Largest compute 4820 load 0.032926 is 27.9% of average load 0.117839 LDB: Average compute 0.001723 is 1.5% of average load 0.117839 LDB: TIME 10531.3 LOAD: AVG 0.117839 MAX 0.188679 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 10531.3 LOAD: AVG 0.117839 MAX 0.188679 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: TIME 10531.3 LOAD: AVG 0.117839 MAX 0.188679 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: ============== END OF LOAD BALANCING =============== 10531.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10531.3 PRESSURE: 3624400 -34.0888 127.52 5.42573 127.521 -194.489 58.493 5.42637 58.4936 -183.241 GPRESSURE: 3624400 1.29791 101.846 34.0799 113.785 -174.616 103.769 -18.8175 -1.39694 -147.242 PRESSAVG: 3624400 2.5098 -9.12614 61.8594 -9.12606 -35.9288 8.45731 61.8595 8.45727 28.6859 GPRESSAVG: 3624400 1.72262 -9.66552 62.5233 -9.15098 -35.7288 9.40028 62.0553 7.65642 29.694 TIMING: 3624400 CPU: 10528.1, 0.00299224/step Wall: 10528.1, 0.00299224/step, 1.14337 hours remaining, 207.613281 MB of memory in use. ENERGY: 3624400 744.1220 2120.6860 1954.4643 113.3215 -206176.6104 17766.9607 0.0000 0.0000 34232.8919 -149244.1642 298.9644 -183477.0561 -149146.0180 299.5200 -137.2731 -106.8534 559252.1632 -1.5777 -1.4374 PRESSURE: 3624600 -56.1693 -1.24188 37.4817 -1.24065 -167.918 206.86 37.4819 206.86 15.2965 GPRESSURE: 3624600 -18.8693 -61.067 99.5831 32.4701 -171.315 183.358 97.0043 230.092 81.6064 PRESSAVG: 3624600 11.2732 21.767 -39.5463 21.7669 -29.6285 86.0635 -39.5462 86.0636 50.7746 GPRESSAVG: 3624600 11.9477 22.641 -38.4517 23.7853 -30.4037 83.7742 -39.8468 87.7173 50.7936 TIMING: 3624600 CPU: 10528.7, 0.00293928/step Wall: 10528.7, 0.00293928/step, 1.12297 hours remaining, 207.613281 MB of memory in use. ENERGY: 3624600 769.0564 2087.0443 1932.5525 106.9944 -206391.7899 17863.3521 0.0000 0.0000 34397.3810 -149235.4092 300.4009 -183632.7901 -149142.3796 299.4500 -69.5968 -36.1925 557842.3795 10.8064 10.7792 PRESSURE: 3624800 -114.92 -130.683 -39.2141 -130.683 1.33575 -139.424 -39.2137 -139.425 147.567 GPRESSURE: 3624800 -103.378 -13.0792 -109.718 -140.341 59.2034 -102.035 71.5416 -82.0979 155.901 PRESSAVG: 3624800 0.101149 -8.16031 -15.1846 -8.16029 -35.0633 -23.3935 -15.1846 -23.3935 53.4022 GPRESSAVG: 3624800 0.882599 -7.12398 -15.6848 -9.83782 -34.8271 -22.7382 -14.9347 -24.0431 52.2101 TIMING: 3624800 CPU: 10529.3, 0.00292011/step Wall: 10529.3, 0.00292011/step, 1.11548 hours remaining, 207.613281 MB of memory in use. ENERGY: 3624800 706.4384 2020.9219 1956.3926 120.9902 -206403.7146 17854.5651 0.0000 0.0000 34313.6388 -149430.7677 299.6695 -183744.4065 -149328.3884 299.7902 11.3276 37.2424 557592.4732 6.1467 6.0885 PRESSURE: 3625000 -145.125 57.8047 -43.439 57.8043 10.7404 -183.85 -43.4378 -183.85 9.57867 GPRESSURE: 3625000 -87.5572 84.9275 23.0765 69.2938 3.95921 -179.504 -101.749 -74.4653 53.3002 PRESSAVG: 3625000 -41.8935 -0.596997 56.7243 -0.596958 -1.71669 -27.2375 56.7242 -27.2375 30.2086 GPRESSAVG: 3625000 -42.1436 -1.60464 56.801 0.446914 -1.35535 -29.9692 56.5398 -24.5739 30.383 TIMING: 3625000 CPU: 10529.9, 0.00294103/step Wall: 10529.9, 0.00294103/step, 1.12331 hours remaining, 207.875000 MB of memory in use. ENERGY: 3625000 714.7464 2049.6787 1975.3888 119.8057 -206221.6780 17802.0881 0.0000 0.0000 33959.8710 -149600.0993 296.5800 -183559.9703 -149508.3034 299.0983 -41.6021 -10.0993 558202.8108 -4.4672 -4.3720 PRESSURE: 3625200 -95.746 73.2495 -31.1748 73.2488 71.2769 47.8461 -31.1755 47.8463 102.676 GPRESSURE: 3625200 -0.141479 65.0593 -131.414 78.6912 50.7548 39.6208 74.6587 58.0869 127.509 PRESSAVG: 3625200 15.6001 3.01693 -4.95121 3.01687 -36.1068 24.7222 -4.95123 24.7222 -17.9016 GPRESSAVG: 3625200 14.5319 2.34426 -5.97726 1.50539 -34.9729 26.9285 -4.58501 23.1082 -18.1601 TIMING: 3625200 CPU: 10530.5, 0.00294492/step Wall: 10530.5, 0.00294492/step, 1.12463 hours remaining, 207.875000 MB of memory in use. ENERGY: 3625200 748.6023 2038.3994 1939.5835 103.4940 -206725.8535 18151.7438 0.0000 0.0000 34028.9865 -149715.0441 297.1836 -183744.0306 -149628.1631 298.0354 26.0689 59.3742 557539.2991 -12.8028 -12.8670 PRESSURE: 3625400 -282.797 -24.349 -146.458 -24.3495 -342.557 90.4308 -146.457 90.4309 -70.1304 GPRESSURE: 3625400 -299.109 2.27006 -148.823 -66.4329 -281.67 165.102 -177.312 -8.8202 -29.2608 PRESSAVG: 3625400 -16.415 16.3716 -20.633 16.3716 -15.1685 34.3632 -20.6331 34.3633 57.7407 GPRESSAVG: 3625400 -16.4923 17.6171 -20.0974 16.0744 -15.7016 32.995 -20.3785 35.9904 58.3001 TIMING: 3625400 CPU: 10531, 0.00295342/step Wall: 10531, 0.00295342/step, 1.12771 hours remaining, 207.875000 MB of memory in use. ENERGY: 3625400 757.0086 2062.0720 1942.8989 100.9158 -206632.2307 17799.5982 0.0000 0.0000 34231.3335 -149738.4037 298.9507 -183969.7372 -149644.6970 297.9948 -231.8280 -203.3469 557981.7779 8.7191 8.7020 PRESSURE: 3625600 -88.958 3.5743 -59.0856 3.57558 36.9064 -110.449 -59.0855 -110.448 -84.0342 GPRESSURE: 3625600 -84.5129 -107.55 13.1765 29.9533 83.1575 -111.431 -129.27 -62.7616 -25.7651 PRESSAVG: 3625600 -2.55088 0.322329 -10.9787 0.322399 -67.8533 19.3837 -10.9788 19.3838 28.275 GPRESSAVG: 3625600 -2.44241 -0.788048 -10.7182 0.955573 -67.7704 20.091 -12.1176 15.544 28.8184 TIMING: 3625600 CPU: 10531.6, 0.00294842/step Wall: 10531.6, 0.00294842/step, 1.12564 hours remaining, 207.875000 MB of memory in use. ENERGY: 3625600 719.2811 2057.0417 1952.6782 113.5950 -206233.7715 17768.2512 0.0000 0.0000 33887.4971 -149735.4273 295.9479 -183622.9244 -149638.5494 296.6515 -45.3619 -9.0402 557067.6578 -14.0431 -13.7982 PRESSURE: 3625800 -89.1575 14.9236 111.498 14.9235 8.0317 -152.55 111.498 -152.55 173.381 GPRESSURE: 3625800 -9.63453 -44.7819 165.672 -42.0989 32.2643 -148.896 106.104 -191.962 173.227 PRESSAVG: 3625800 -39.2188 -0.0932475 6.78412 -0.0933301 51.3423 -66.6559 6.78415 -66.656 -28.5039 GPRESSAVG: 3625800 -38.5414 -1.11549 4.86406 0.289603 50.5103 -66.481 8.06826 -65.7595 -28.9829 TIMING: 3625800 CPU: 10532.2, 0.00295154/step Wall: 10532.2, 0.00295154/step, 1.12667 hours remaining, 207.875000 MB of memory in use. ENERGY: 3625800 747.2644 2029.4736 1955.5942 107.4202 -206494.0063 17916.2978 0.0000 0.0000 34010.5906 -149727.3656 297.0229 -183737.9563 -149628.7673 297.2893 30.7517 65.2856 556367.4242 -5.4601 -5.6713 PRESSURE: 3626000 -202.816 125.181 4.91475 125.18 161.552 8.21671 4.91388 8.21592 -118.822 GPRESSURE: 3626000 -139.029 49.521 27.5419 77.287 183.659 32.3888 -4.01141 24.6536 -119.76 PRESSAVG: 3626000 -8.72095 -15.0028 49.8685 -15.0027 23.2315 -6.76236 49.8684 -6.76242 -2.24488 GPRESSAVG: 3626000 -9.97161 -15.3003 53.2001 -14.51 25.0641 -4.59959 49.2739 -6.5353 -2.46914 TIMING: 3626000 CPU: 10532.8, 0.00292952/step Wall: 10532.8, 0.00292952/step, 1.1181 hours remaining, 207.875000 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: 3626000 749.5626 2037.2823 1945.4310 95.6293 -206521.8311 17836.8958 0.0000 0.0000 34091.1738 -149765.8563 297.7267 -183857.0301 -149675.4875 297.2709 -53.3622 -25.0433 556941.8005 4.0885 4.2078 PRESSURE: 3626200 -372.389 143.199 -111.694 143.2 -4.64896 -105.551 -111.694 -105.553 -107.361 GPRESSURE: 3626200 -311.79 75.4059 -124.769 143.141 32.0127 -22.203 -58.9078 -121.983 -97.3981 PRESSAVG: 3626200 2.46471 -12.6846 -37.3773 -12.6845 38.9922 -24.2952 -37.3772 -24.2953 -23.9682 GPRESSAVG: 3626200 2.87951 -11.7676 -39.1395 -13.1966 37.905 -25.7725 -38.3206 -25.1307 -23.6411 TIMING: 3626200 CPU: 10533.4, 0.00293797/step Wall: 10533.4, 0.00293797/step, 1.12116 hours remaining, 207.875000 MB of memory in use. ENERGY: 3626200 739.9951 2025.7160 1957.3183 96.8928 -206071.5351 17637.3370 0.0000 0.0000 34020.9000 -149593.3759 297.1130 -183614.2759 -149493.7631 297.5931 -161.4663 -125.7250 557929.3173 5.8296 5.7145 PRESSURE: 3626400 138.327 127.577 -14.6912 127.575 -9.7484 11.7172 -14.69 11.7172 47.7102 GPRESSURE: 3626400 127.369 117.325 94.7699 153.892 33.6101 63.7446 19.7378 -44.6851 103.913 PRESSAVG: 3626400 20.2365 12.6716 23.659 12.6716 46.1856 -99.6506 23.659 -99.6506 -54.7991 GPRESSAVG: 3626400 20.8634 12.8177 23.8485 13.5249 45.8305 -97.3972 24.3124 -101.073 -55.4937 TIMING: 3626400 CPU: 10534, 0.0029426/step Wall: 10534, 0.0029426/step, 1.12277 hours remaining, 207.875000 MB of memory in use. ENERGY: 3626400 732.2722 1993.5374 1944.2668 111.5096 -206615.5644 18102.5606 0.0000 0.0000 34133.6603 -149597.7575 298.0977 -183731.4178 -149500.7594 297.8683 58.7628 88.2972 556692.0861 3.8743 3.7334 PRESSURE: 3626600 392.291 41.0551 46.8577 41.0554 -94.3006 147.964 46.8577 147.962 144.01 GPRESSURE: 3626600 385.204 29.3638 65.621 106.652 16.6852 75.8757 18.3914 185.015 133.435 PRESSAVG: 3626600 53.8142 8.11608 -3.27272 8.116 -23.0611 -11.5471 -3.2727 -11.5472 6.73126 GPRESSAVG: 3626600 53.6409 9.00968 -3.79598 7.22269 -23.3583 -14.2637 -4.90451 -9.23279 7.36824 TIMING: 3626600 CPU: 10534.6, 0.0029756/step Wall: 10534.6, 0.0029756/step, 1.13519 hours remaining, 207.875000 MB of memory in use. ENERGY: 3626600 725.9922 2104.4202 1918.1228 119.8243 -206404.5393 18021.5637 0.0000 0.0000 33974.3843 -149540.2317 296.7067 -183514.6160 -149445.3709 298.7734 147.3335 178.4416 556771.5580 12.4948 12.5503 PRESSURE: 3626800 299.05 -19.4806 -59.0182 -19.4798 160.871 -67.7375 -59.018 -67.737 -53.6995 GPRESSURE: 3626800 296.732 -50.3901 -24.3439 9.73432 215.474 -96.4141 -65.9275 -48.7161 -8.19059 PRESSAVG: 3626800 123.105 6.58547 24.7474 6.58546 -94.4252 16.8454 24.7474 16.8455 -32.6552 GPRESSAVG: 3626800 123.768 5.18632 25.856 7.42353 -94.3821 15.6832 27.6126 16.7666 -32.8953 TIMING: 3626800 CPU: 10535.2, 0.00295437/step Wall: 10535.2, 0.00295437/step, 1.12693 hours remaining, 207.875000 MB of memory in use. ENERGY: 3626800 754.7474 2081.4048 1939.9709 100.1430 -206913.8815 18178.1897 0.0000 0.0000 34302.0239 -149557.4018 299.5681 -183859.4257 -149462.1114 298.1844 135.4072 168.0053 556001.3098 -1.3252 -1.1697 PRESSURE: 3627000 -164.619 -44.9506 146.846 -44.9499 -345.223 16.517 146.846 16.519 -284.73 GPRESSURE: 3627000 -150.878 -60.6725 166.577 -103.007 -274.696 64.9556 192.595 26.5619 -272.927 PRESSAVG: 3627000 43.0948 24.8595 35.4285 24.8596 -78.0968 13.7956 35.4286 13.7957 13.792 GPRESSAVG: 3627000 43.9579 25.9194 35.5458 23.162 -78.072 14.5399 33.6722 15.1214 13.3018 TIMING: 3627000 CPU: 10535.8, 0.00293642/step Wall: 10535.8, 0.00293642/step, 1.11992 hours remaining, 207.886719 MB of memory in use. ENERGY: 3627000 775.2655 2148.5486 1944.3586 106.0080 -205614.1572 17296.6664 0.0000 0.0000 33986.8057 -149356.5045 296.8152 -183343.3102 -149267.7190 298.3388 -264.8574 -232.8335 557021.4265 -7.0700 -6.9374 PRESSURE: 3627200 213.264 -110.767 -55.8855 -110.766 -5.7118 93.7024 -55.8849 93.7012 -47.7406 GPRESSURE: 3627200 185.773 -103.015 -36.3919 -67.3596 40.95 82.5993 -82.7545 39.3152 11.4918 PRESSAVG: 3627200 48.4335 30.6018 7.564 30.6017 -9.0865 66.9483 7.56399 66.9484 -11.4431 GPRESSAVG: 3627200 48.1188 31.9146 5.70457 31.5432 -9.07432 66.9598 8.13005 66.4403 -10.6974 TIMING: 3627200 CPU: 10536.3, 0.002946/step Wall: 10536.3, 0.002946/step, 1.12341 hours remaining, 207.886719 MB of memory in use. ENERGY: 3627200 697.4755 2103.6786 1937.7634 99.4131 -206009.2692 17631.3534 0.0000 0.0000 34307.6413 -149231.9439 299.6172 -183539.5852 -149135.1487 298.6927 53.2704 79.4049 556903.2267 9.3013 9.4490 PRESSURE: 3627400 146.408 -14.8809 -18.0777 -14.882 167.744 205.72 -18.0789 205.721 219.102 GPRESSURE: 3627400 226.185 -40.7714 -41.7804 34.3482 206.746 175.667 28.1313 163.058 202.818 PRESSAVG: 3627400 40.3213 -24.2 60.6366 -24.2 9.40823 48.7147 60.6367 48.7148 -50.5358 GPRESSAVG: 3627400 40.1766 -25.0834 62.9435 -25.3294 9.45912 48.8962 59.333 47.7333 -50.0787 TIMING: 3627400 CPU: 10536.9, 0.00294743/step Wall: 10536.9, 0.00294743/step, 1.12379 hours remaining, 207.886719 MB of memory in use. ENERGY: 3627400 740.9836 2107.3139 1926.8701 119.9034 -206311.0777 18049.2239 0.0000 0.0000 34232.9037 -149133.8790 298.9645 -183366.7827 -149040.2917 299.6837 177.7515 211.9163 556390.4791 -0.2688 -0.1477 PRESSURE: 3627600 57.0432 -110.331 -21.6573 -110.332 95.7666 85.1047 -21.6553 85.1036 140.573 GPRESSURE: 3627600 80.0133 -118.184 2.34084 -82.7817 129.729 186.327 -45.2349 107.867 173.472 PRESSAVG: 3627600 57.2064 -10.7808 5.91479 -10.7809 34.5009 50.5023 5.91477 50.5023 -44.6404 GPRESSAVG: 3627600 57.0798 -10.6324 4.81566 -9.49085 34.7852 49.7295 8.47235 50.682 -44.6356 TIMING: 3627600 CPU: 10537.5, 0.00291932/step Wall: 10537.5, 0.00291932/step, 1.11291 hours remaining, 207.886719 MB of memory in use. ENERGY: 3627600 696.8739 2094.6395 1952.6245 116.0496 -206309.5206 17904.0016 0.0000 0.0000 34441.4588 -149103.8727 300.7858 -183545.3315 -149007.2447 299.0017 97.7941 127.7382 555933.5192 15.6889 15.7431 PRESSURE: 3627800 -14.0823 138.537 -41.0203 138.538 54.4094 -10.3961 -41.0214 -10.3977 -146.687 GPRESSURE: 3627800 15.2549 157.655 -71.9499 156.678 123.236 -5.56582 -89.7699 47.7968 -146.085 PRESSAVG: 3627800 27.1662 0.3094 7.5018 0.309458 1.46455 60.2388 7.50188 60.2388 -15.3263 GPRESSAVG: 3627800 26.8526 2.47744 8.9962 -2.19191 1.25602 60.9141 4.85495 60.0451 -15.1789 TIMING: 3627800 CPU: 10538.1, 0.00291259/step Wall: 10538.1, 0.00291259/step, 1.11018 hours remaining, 207.886719 MB of memory in use. ENERGY: 3627800 715.6889 2072.8420 1938.0484 117.8474 -205926.2201 17702.2838 0.0000 0.0000 34225.8993 -149153.6103 298.9033 -183379.5097 -149065.2559 299.4978 -35.4534 -2.5313 555098.4376 4.4348 4.3099 PRESSURE: 3628000 88.3906 -36.5765 10.3703 -36.5785 -26.1205 148.974 10.3695 148.975 170.579 GPRESSURE: 3628000 72.2505 -91.1183 -36.6288 -34.5468 67.6684 135.907 -29.5663 150.636 194.425 PRESSAVG: 3628000 5.54249 15.8893 -13.8185 15.8894 78.3113 54.5712 -13.8183 54.5711 -63.363 GPRESSAVG: 3628000 4.00597 11.7174 -14.0234 20.2638 80.2374 55.9441 -12.1129 52.8098 -63.1191 TIMING: 3628000 CPU: 10538.7, 0.00294617/step Wall: 10538.7, 0.00294617/step, 1.12282 hours remaining, 207.886719 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: 3628000 722.3868 2070.7758 1943.6484 117.2919 -205816.6428 17774.0329 0.0000 0.0000 34153.2717 -149035.2352 298.2690 -183188.5069 -148930.9306 299.7680 77.6165 111.4478 556671.4345 6.8303 7.0414 PRESSURE: 3628200 60.0074 -95.2056 38.8928 -95.2046 -206.403 105.265 38.8938 105.265 -75.9045 GPRESSURE: 3628200 122.427 -76.1183 59.6042 -127.58 -193.903 139.314 70.8747 92.389 -44.2836 PRESSAVG: 3628200 -8.87127 -2.39633 -93.0286 -2.39636 15.5698 -6.31604 -93.0285 -6.31606 5.33585 GPRESSAVG: 3628200 -7.15435 -1.09714 -93.1798 -4.70051 13.3894 -6.68042 -92.7175 -4.2849 5.67861 TIMING: 3628200 CPU: 10539.3, 0.00294972/step Wall: 10539.3, 0.00294973/step, 1.12401 hours remaining, 207.886719 MB of memory in use. ENERGY: 3628200 770.8231 2085.5207 1945.5719 117.9534 -206273.6443 17700.3821 0.0000 0.0000 34517.3190 -149136.0741 301.4483 -183653.3931 -149045.7738 299.8560 -74.1001 -38.5866 557026.6358 4.0114 3.9712 LDB: ============= START OF LOAD BALANCING ============== 10542.8 LDB: ============== END OF LOAD BALANCING =============== 10542.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10542.8 LDB: ============= START OF LOAD BALANCING ============== 10543 LDB: Largest compute 4820 load 0.034102 is 28.9% of average load 0.117875 LDB: Average compute 0.001723 is 1.5% of average load 0.117875 LDB: TIME 10543.1 LOAD: AVG 0.117875 MAX 0.187982 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.156 MB LDB: TIME 10543.1 LOAD: AVG 0.117875 MAX 0.187982 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: TIME 10543.1 LOAD: AVG 0.117875 MAX 0.187982 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10543.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10543.1 PRESSURE: 3628400 167.959 23.9301 64.1862 23.9291 153.014 -63.8601 64.1873 -63.8591 12.3529 GPRESSURE: 3628400 193.71 -38.4092 183.021 42.6071 190.729 -99.2384 -86.6581 -81.5474 39.1587 PRESSAVG: 3628400 51.4332 -20.9648 10.9851 -20.9648 24.4411 -84.1729 10.9851 -84.1729 -54.5355 GPRESSAVG: 3628400 51.3826 -21.311 10.5392 -20.707 23.9223 -83.4475 9.65246 -85.8748 -54.4689 TIMING: 3628400 CPU: 10539.9, 0.00299728/step Wall: 10539.9, 0.00299728/step, 1.14196 hours remaining, 207.867188 MB of memory in use. ENERGY: 3628400 776.5152 2140.2113 1945.1035 115.4092 -206209.3618 17827.7964 0.0000 0.0000 34345.7909 -149058.5353 299.9503 -183404.3263 -148960.9097 299.7976 111.1086 141.1993 556020.4210 7.1129 6.9453 PRESSURE: 3628600 -88.5013 -22.6543 -57.6195 -22.6553 -233.604 14.3029 -57.6198 14.3024 31.5112 GPRESSURE: 3628600 -41.5517 30.452 -140.972 -22.8289 -206.499 2.79622 -25.6181 -0.0195722 46.9905 PRESSAVG: 3628600 74.206 4.24554 0.957008 4.24544 -29.6013 -5.01562 0.95687 -5.01558 37.7301 GPRESSAVG: 3628600 73.7618 3.7888 2.60175 4.38296 -29.1409 -7.12693 0.776947 -4.05767 37.2224 TIMING: 3628600 CPU: 10540.5, 0.00294006/step Wall: 10540.5, 0.00294006/step, 1.12 hours remaining, 208.328125 MB of memory in use. ENERGY: 3628600 750.9701 2089.0552 1924.4942 110.4783 -205939.0734 17579.8362 0.0000 0.0000 34434.8947 -149049.3446 300.7285 -183484.2394 -148950.4991 300.1496 -96.8646 -67.0201 556815.0131 27.4449 27.2811 PRESSURE: 3628800 -159.854 24.4273 109.819 24.4284 119.481 91.805 109.82 91.806 43.682 GPRESSURE: 3628800 -108.577 -32.2901 126.12 -11.0983 65.9086 169.722 154.94 110.496 149.938 PRESSAVG: 3628800 13.0486 -47.2383 12.1549 -47.2382 -14.9202 39.8134 12.1548 39.8134 1.90172 GPRESSAVG: 3628800 12.0415 -46.3795 9.81009 -47.8635 -13.5329 42.024 12.429 37.8054 2.35545 TIMING: 3628800 CPU: 10541.1, 0.00291986/step Wall: 10541.1, 0.00291986/step, 1.11214 hours remaining, 208.328125 MB of memory in use. ENERGY: 3628800 733.5704 2063.1100 1940.3032 118.0272 -206303.5271 17815.8639 0.0000 0.0000 34405.3616 -149227.2909 300.4706 -183632.6524 -149126.0568 299.3189 1.1029 35.7567 557983.9894 0.0100 0.2880 PRESSURE: 3629000 226.371 -134.627 -76.4923 -134.627 110.967 7.69152 -76.4928 7.69087 165.573 GPRESSURE: 3629000 309.26 -127.143 -138.888 -90.2345 139.495 -80.1452 -29.7553 109.923 150.585 PRESSAVG: 3629000 109.461 -12.8226 -56.6507 -12.8226 -27.6959 -3.04044 -56.6506 -3.04043 -87.7112 GPRESSAVG: 3629000 110.693 -12.979 -56.1601 -14.83 -28.1224 -4.76563 -56.4452 -0.475159 -88.2846 TIMING: 3629000 CPU: 10541.6, 0.00290112/step Wall: 10541.6, 0.00290112/step, 1.10484 hours remaining, 208.328125 MB of memory in use. ENERGY: 3629000 742.2568 2055.1836 1952.3647 107.6836 -206475.0797 18174.0207 0.0000 0.0000 34204.5068 -149239.0634 298.7165 -183443.5702 -149144.7789 298.8229 167.6367 199.7800 557125.0260 -1.9820 -1.9047 PRESSURE: 3629200 -262.824 89.1137 51.8858 89.1146 -208.184 10.7187 51.8853 10.7202 -395.059 GPRESSURE: 3629200 -244.05 158.826 127.23 40.1256 -191.663 -3.59804 34.8141 8.4746 -337.038 PRESSAVG: 3629200 121.037 35.6971 -23.2966 35.6971 -4.88025 4.95716 -23.2967 4.95721 -113.682 GPRESSAVG: 3629200 119.981 38.7451 -22.5758 38.0242 -5.19639 5.49523 -22.8289 2.7344 -112.545 TIMING: 3629200 CPU: 10542.2, 0.00291285/step Wall: 10542.2, 0.00291285/step, 1.10915 hours remaining, 208.328125 MB of memory in use. ENERGY: 3629200 755.3650 2145.4021 1937.0504 117.7268 -205419.0701 17277.2288 0.0000 0.0000 34099.1528 -149087.1442 297.7964 -183186.2970 -148991.7361 299.2198 -288.6887 -257.5839 559328.3465 0.8251 0.7466 PRESSURE: 3629400 122.509 17.4791 49.6382 17.4782 236.96 -55.6605 49.6405 -55.6607 48.3763 GPRESSURE: 3629400 177.031 13.5679 205.144 18.5177 242.071 -91.5284 39.4541 12.6084 97.7131 PRESSAVG: 3629400 -0.588699 -55.1514 -25.1824 -55.1513 33.4667 12.0067 -25.1823 12.0066 -25.8586 GPRESSAVG: 3629400 0.666741 -58.8116 -24.3203 -56.5264 32.3696 11.6506 -26.3479 13.2737 -26.2985 TIMING: 3629400 CPU: 10542.8, 0.0029399/step Wall: 10542.8, 0.0029399/step, 1.11928 hours remaining, 208.398438 MB of memory in use. ENERGY: 3629400 755.8298 2076.3394 1946.1228 107.6437 -206701.3686 18241.6276 0.0000 0.0000 34328.0769 -149245.7285 299.7956 -183573.8054 -149145.8421 298.6470 135.9485 172.2719 556854.8319 2.3398 2.2459 PRESSURE: 3629600 -164.106 63.3384 20.9422 63.3392 158.126 3.55912 20.943 3.55984 -289.919 GPRESSURE: 3629600 -130.416 90.3283 -65.1191 7.70505 148.023 129.117 -28.0493 -37.2008 -216.992 PRESSAVG: 3629600 -8.30413 18.5263 8.96607 18.5263 -18.0244 -6.70315 8.96604 -6.70301 -16.1606 GPRESSAVG: 3629600 -8.36931 17.453 8.00369 20.3831 -18.4063 -4.51134 9.192 -5.4853 -15.8349 TIMING: 3629600 CPU: 10543.4, 0.00293503/step Wall: 10543.4, 0.00293503/step, 1.11727 hours remaining, 208.398438 MB of memory in use. ENERGY: 3629600 749.4673 2105.2170 1953.3301 113.5098 -205727.1491 17719.1732 0.0000 0.0000 33823.9284 -149262.5233 295.3928 -183086.4517 -149165.1574 298.4450 -98.6330 -66.4615 558833.1916 -14.1630 -14.2035 PRESSURE: 3629800 -52.0431 -132.206 230.299 -132.208 -111.567 69.2281 230.299 69.2275 -60.5562 GPRESSURE: 3629800 -22.5706 -98.4568 208.616 -188.524 -102.957 98.4538 195.437 114.719 -3.70847 PRESSAVG: 3629800 49.1003 36.2143 35.8299 36.2143 -6.87332 24.6874 35.83 24.6874 -8.7004 GPRESSAVG: 3629800 50.0218 37.9363 35.6371 34.424 -7.72404 23.6138 36.6039 22.4661 -9.0323 TIMING: 3629800 CPU: 10544, 0.00290955/step Wall: 10544, 0.00290955/step, 1.10741 hours remaining, 208.398438 MB of memory in use. ENERGY: 3629800 752.7944 2058.6963 1958.1339 112.6704 -206063.7885 17632.0345 0.0000 0.0000 34236.9862 -149312.4729 299.0001 -183549.4591 -149216.4592 299.2532 -74.7221 -43.0787 557393.6429 11.1755 11.0885 PRESSURE: 3630000 -177.815 -70.1659 1.68357 -70.1656 -185.239 -91.8113 1.68277 -91.8125 -147.652 GPRESSURE: 3630000 -169.312 -151.639 19.372 -85.0682 -200.133 -150.945 -108.821 0.927443 -43.1234 PRESSAVG: 3630000 0.752199 24.8588 -27.0734 24.8587 27.2735 20.0433 -27.0735 20.0434 -25.6539 GPRESSAVG: 3630000 -0.481797 24.1644 -25.953 26.4247 29.0541 17.8308 -28.8622 21.7755 -25.7308 TIMING: 3630000 CPU: 10544.6, 0.00290709/step Wall: 10544.6, 0.00290709/step, 1.10631 hours remaining, 208.398438 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: 3630000 730.2653 2090.9012 1945.4855 110.7360 -205726.0961 17401.7372 0.0000 0.0000 34218.1720 -149228.7989 298.8358 -183446.9709 -149135.5638 298.5048 -170.2355 -137.5227 557505.4587 0.7906 0.9471 PRESSURE: 3630200 -280.425 -122.225 87.3379 -122.224 85.2378 -165.815 87.3375 -165.815 -156.306 GPRESSURE: 3630200 -260.194 -131.445 1.57629 -98.0137 117.391 -95.7344 117.178 -153.818 -107.794 PRESSAVG: 3630200 -50.5888 -20.7494 -23.9106 -20.7494 55.165 -12.6185 -23.9106 -12.6185 -11.3801 GPRESSAVG: 3630200 -51.1995 -20.2411 -25.3007 -19.9973 54.6252 -11.6419 -21.8118 -12.599 -10.4338 TIMING: 3630200 CPU: 10545.1, 0.00292333/step Wall: 10545.1, 0.00292333/step, 1.11233 hours remaining, 208.398438 MB of memory in use. ENERGY: 3630200 727.9484 2060.0760 1944.2421 119.7407 -205901.0393 17555.9938 0.0000 0.0000 34232.5945 -149260.4438 298.9618 -183493.0383 -149173.3633 298.6489 -117.1646 -83.5325 557632.5682 -2.2679 -2.3360 PRESSURE: 3630400 -150.642 -71.2525 0.266825 -71.253 -120.417 82.3325 0.267414 82.3298 -156.08 GPRESSURE: 3630400 -131.361 -123.748 56.7425 -46.6734 -85.8365 -55.8709 1.4086 171.85 -112.816 PRESSAVG: 3630400 -11.8356 -75.9048 -6.73545 -75.9048 36.3307 -54.6787 -6.7354 -54.6787 -4.70934 GPRESSAVG: 3630400 -11.8679 -75.8601 -4.60461 -77.0466 36.3501 -56.6802 -7.14556 -54.6637 -4.33916 TIMING: 3630400 CPU: 10545.7, 0.00292919/step Wall: 10545.7, 0.00292919/step, 1.11439 hours remaining, 208.640625 MB of memory in use. ENERGY: 3630400 777.9699 2091.5084 1966.3693 110.5133 -206256.8854 17898.1169 0.0000 0.0000 34138.3863 -149274.0214 298.1390 -183412.4077 -149179.0971 298.6416 -142.3797 -110.0043 558639.5631 6.5952 6.7143 PRESSURE: 3630600 61.62 -74.5918 -10.1338 -74.5913 -129.181 -10.7926 -10.1338 -10.7938 231.296 GPRESSURE: 3630600 84.3391 -74.3192 -65.5652 -114.918 -64.6674 -103.668 -27.7414 3.04563 240.649 PRESSAVG: 3630600 30.3301 33.9886 -30.9645 33.9886 -20.4619 -12.1341 -30.9644 -12.1341 3.95398 GPRESSAVG: 3630600 31.5036 35.9214 -31.296 32.1551 -22.3959 -8.83698 -32.8385 -14.519 4.649 TIMING: 3630600 CPU: 10546.3, 0.00292587/step Wall: 10546.3, 0.00292587/step, 1.11297 hours remaining, 208.640625 MB of memory in use. ENERGY: 3630600 736.2836 2163.5754 1950.2465 110.2634 -206402.3160 17817.9521 0.0000 0.0000 34362.6023 -149261.3927 300.0972 -183623.9950 -149164.9099 299.2068 54.5781 86.7735 558148.6497 4.6074 4.5855 PRESSURE: 3630800 221.269 -17.2899 163.476 -17.2894 -7.00079 33.5091 163.476 33.5098 -126.583 GPRESSURE: 3630800 212.327 24.1531 203.681 -108.739 28.5504 69.4915 159.245 23.5588 -50.3211 PRESSAVG: 3630800 33.4761 -66.5892 32.5134 -66.5893 31.1486 -36.3158 32.5133 -36.3159 -55.2304 GPRESSAVG: 3630800 32.5078 -66.5989 30.3527 -66.7472 32.4282 -35.8588 35.5799 -35.2445 -55.8218 TIMING: 3630800 CPU: 10546.9, 0.00294413/step Wall: 10546.9, 0.00294413/step, 1.11975 hours remaining, 208.640625 MB of memory in use. ENERGY: 3630800 722.1691 2084.2934 1968.9087 107.6348 -206586.3386 17942.5946 0.0000 0.0000 34360.7879 -149399.9500 300.0813 -183760.7379 -149300.0000 299.0139 29.2284 63.5187 557365.2856 3.1314 3.0381 PRESSURE: 3631000 -225.702 37.3298 -110.48 37.3296 -261.782 22.1578 -110.48 22.1577 -92.464 GPRESSURE: 3631000 -182.783 28.0268 -79.4722 -11.2021 -225.31 48.9487 -131.319 5.37394 -86.4098 PRESSAVG: 3631000 50.8508 -6.38571 17.5661 -6.38581 12.0931 -26.5098 17.5661 -26.5098 -56.4985 GPRESSAVG: 3631000 51.9966 -10.3832 17.519 -3.32216 12.0774 -26.6014 15.7511 -27.8193 -57.3504 TIMING: 3631000 CPU: 10547.5, 0.00292606/step Wall: 10547.5, 0.00292606/step, 1.11272 hours remaining, 208.640625 MB of memory in use. ENERGY: 3631000 740.1667 2069.5043 1946.0527 107.9697 -206083.9148 17556.6371 0.0000 0.0000 34237.1138 -149426.4705 299.0012 -183663.5843 -149332.4443 299.0613 -193.3158 -164.8343 558563.3523 2.1485 2.2412 PRESSURE: 3631200 -72.4465 51.4766 13.3432 51.4771 -37.9428 34.6771 13.3438 34.6763 121.43 GPRESSURE: 3631200 24.3739 43.197 75.0273 27.2542 -43.0941 83.7022 50.8323 -25.3192 134.122 PRESSAVG: 3631200 73.4718 48.9131 57.1429 48.9132 -37.2495 -46.494 57.1429 -46.4939 16.1427 GPRESSAVG: 3631200 73.5655 49.9746 57.7288 46.7261 -38.3283 -47.5218 59.6763 -46.6046 16.5209 TIMING: 3631200 CPU: 10548.1, 0.00292976/step Wall: 10548.1, 0.00292976/step, 1.11396 hours remaining, 208.640625 MB of memory in use. ENERGY: 3631200 752.8152 2091.1361 1943.0261 109.8186 -206364.3167 17764.6898 0.0000 0.0000 34321.8629 -149380.9681 299.7414 -183702.8311 -149294.9865 298.8371 3.6803 38.4671 558235.8812 17.4550 17.2527 PRESSURE: 3631400 215.143 5.36029 76.9765 5.35941 -165.844 -102.588 76.9748 -102.588 89.4833 GPRESSURE: 3631400 159.202 5.77107 35.4302 -37.9575 -61.6376 -102.53 61.8104 -101.516 144.033 PRESSAVG: 3631400 -2.15919 26.0214 -12.1374 26.0213 -21.6821 -26.1939 -12.1374 -26.1939 32.2342 GPRESSAVG: 3631400 -3.08922 25.3108 -13.4422 27.8384 -20.37 -27.1415 -11.1544 -24.0209 32.2048 TIMING: 3631400 CPU: 10548.7, 0.00293789/step Wall: 10548.7, 0.00293789/step, 1.11689 hours remaining, 208.640625 MB of memory in use. ENERGY: 3631400 745.0953 2079.9183 1968.2619 107.1176 -206201.7541 17865.2178 0.0000 0.0000 34093.3844 -149342.7588 297.7460 -183436.1432 -149245.8839 298.3672 46.2608 80.5326 558336.8353 2.7976 2.9152 PRESSURE: 3631600 -41.2479 162.986 -24.1104 162.986 239.912 66.0089 -24.1092 66.0097 -299.105 GPRESSURE: 3631600 -21.5524 186.45 3.99157 186.006 220.144 81.4122 -60.841 52.7255 -204.645 PRESSAVG: 3631600 -10.2509 43.5212 -91.8704 43.5213 -22.1093 -5.28478 -91.8705 -5.28473 31.3421 GPRESSAVG: 3631600 -10.6009 44.7742 -90.2576 42.9795 -22.2604 -3.71181 -94.1891 -5.27164 32.0268 TIMING: 3631600 CPU: 10549.2, 0.00291897/step Wall: 10549.2, 0.00291897/step, 1.10953 hours remaining, 208.640625 MB of memory in use. ENERGY: 3631600 769.5833 2090.8269 1925.0118 109.1606 -206466.9157 17867.4382 0.0000 0.0000 34217.0576 -149487.8373 298.8261 -183704.8949 -149394.5496 298.7108 -33.4803 -2.0179 557561.7987 -0.3394 -0.2782 PRESSURE: 3631800 1.52457 86.8418 -42.3427 86.8414 -145.274 -158.136 -42.3432 -158.137 83.5661 GPRESSURE: 3631800 95.1068 3.11386 26.2092 102.241 -132.506 -151.48 50.6067 -206.79 71.935 PRESSAVG: 3631800 62.1325 60.3234 -25.6744 60.3235 -37.9996 -1.72203 -25.6744 -1.7221 8.48296 GPRESSAVG: 3631800 62.9271 61.105 -25.5728 59.9097 -37.5538 -3.46141 -25.6817 -3.52211 7.16175 TIMING: 3631800 CPU: 10549.8, 0.00291888/step Wall: 10549.8, 0.00291888/step, 1.10934 hours remaining, 208.640625 MB of memory in use. ENERGY: 3631800 737.8297 2006.4415 1950.0230 115.5166 -206326.7733 17767.5968 0.0000 0.0000 34266.1555 -149483.2102 299.2549 -183749.3657 -149392.7571 298.2403 -20.0613 11.5118 558220.1657 10.8719 10.8450 PRESSURE: 3632000 346.582 39.3291 -239.338 39.3281 55.4299 213.226 -239.338 213.225 -94.6249 GPRESSURE: 3632000 388.44 27.0091 -276.065 29.1939 141.52 156.18 -179.572 254.431 -118.722 PRESSAVG: 3632000 126.513 -22.769 -17.0139 -22.769 -4.79634 27.7578 -17.0139 27.7578 -91.27 GPRESSAVG: 3632000 126.4 -22.3233 -17.0907 -22.7592 -5.01748 30.16 -16.8741 27.8968 -90.9691 TIMING: 3632000 CPU: 10550.4, 0.00290899/step Wall: 10550.4, 0.00290899/step, 1.10542 hours remaining, 208.640625 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: 3632000 731.9922 2081.4420 1949.7752 118.0229 -206626.5273 17986.8574 0.0000 0.0000 34315.4528 -149442.9848 299.6854 -183758.4376 -149349.0165 298.3981 102.4624 137.0793 556535.4283 10.1490 10.1378 PRESSURE: 3632200 -44.8317 -16.0472 -4.66726 -16.0492 -7.92526 -22.9042 -4.66746 -22.9043 66.6037 GPRESSURE: 3632200 -50.5414 34.2962 -10.664 50.5614 12.6487 -31.6459 -13.8271 26.7387 130.054 PRESSAVG: 3632200 44.4173 3.70358 -32.5972 3.70358 -48.9603 11.2127 -32.5972 11.2127 6.38975 GPRESSAVG: 3632200 43.6591 3.34628 -31.5121 3.6374 -48.8708 9.17279 -34.0847 13.7208 6.57727 TIMING: 3632200 CPU: 10551, 0.00294871/step Wall: 10551, 0.00294871/step, 1.12035 hours remaining, 208.640625 MB of memory in use. ENERGY: 3632200 728.1015 2037.6332 1944.1010 114.9880 -205918.6690 17652.7789 0.0000 0.0000 34175.4091 -149265.6575 298.4623 -183441.0665 -149170.1504 298.6132 4.6156 30.7205 556772.4645 0.6156 0.4552 LDB: ============= START OF LOAD BALANCING ============== 10554.5 LDB: ============== END OF LOAD BALANCING =============== 10554.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10554.5 LDB: ============= START OF LOAD BALANCING ============== 10554.8 LDB: Largest compute 4820 load 0.032244 is 27.4% of average load 0.117816 LDB: Average compute 0.001727 is 1.5% of average load 0.117816 LDB: TIME 10554.8 LOAD: AVG 0.117816 MAX 0.18492 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.383 MB LDB: TIME 10554.8 LOAD: AVG 0.117816 MAX 0.18492 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.383 MB LDB: TIME 10554.8 LOAD: AVG 0.117816 MAX 0.18492 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.383 MB LDB: ============== END OF LOAD BALANCING =============== 10554.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10554.8 PRESSURE: 3632400 161.83 251.237 -24.4265 251.236 -116.261 -134.502 -24.4274 -134.502 -77.0092 GPRESSURE: 3632400 208.32 282.434 82.2567 264.094 -92.2095 -184.276 -95.6395 -150.815 -52.9705 PRESSAVG: 3632400 42.5642 -0.533752 25.0079 -0.533675 -56.6941 -19.5538 25.0078 -19.5538 -28.987 GPRESSAVG: 3632400 44.0388 -0.65916 24.2774 -0.0916741 -56.8652 -18.4738 25.5077 -19.4088 -30.3478 TIMING: 3632400 CPU: 10551.6, 0.00300532/step Wall: 10551.6, 0.00300532/step, 1.14169 hours remaining, 207.019531 MB of memory in use. ENERGY: 3632400 745.8481 2037.2903 1954.4153 130.9099 -206217.3527 17804.2438 0.0000 0.0000 34192.3173 -149352.3280 298.6100 -183544.6454 -149259.0337 298.6098 -10.4803 21.0466 557492.9133 -14.3723 -14.3914 PRESSURE: 3632600 -34.6158 -41.2295 34.9222 -41.2309 32.3807 -105.152 34.922 -105.152 -58.5171 GPRESSURE: 3632600 8.58357 52.9217 56.5576 -108.865 70.9868 -202.484 18.547 -87.0295 -48.1565 PRESSAVG: 3632600 105.226 -4.2442 25.4831 -4.24412 12.9151 6.25754 25.483 6.25748 -42.5189 GPRESSAVG: 3632600 104.472 -3.59871 25.913 -6.17732 13.2212 6.09361 25.2013 4.85898 -42.6535 TIMING: 3632600 CPU: 10552.2, 0.00291556/step Wall: 10552.2, 0.00291556/step, 1.10743 hours remaining, 207.515625 MB of memory in use. ENERGY: 3632600 762.7429 2068.6110 1945.9356 111.7340 -206369.7147 17852.6290 0.0000 0.0000 34254.3771 -149373.6852 299.1520 -183628.0622 -149276.4991 299.1250 -20.2507 10.4713 556392.0582 25.2073 25.0132 PRESSURE: 3632800 -205.958 44.0641 60.8075 44.0648 60.0668 -105.582 60.8078 -105.582 -33.7709 GPRESSURE: 3632800 -120.395 -31.1232 -5.32543 74.9647 48.2132 -149.124 40.1008 -150.09 -2.79568 PRESSAVG: 3632800 22.0737 -26.6599 23.8741 -26.66 -2.18956 -19.7153 23.874 -19.7154 6.29402 GPRESSAVG: 3632800 22.5445 -27.9476 23.7566 -25.0962 -2.91992 -19.6325 22.765 -19.2705 6.94331 TIMING: 3632800 CPU: 10552.8, 0.00293132/step Wall: 10552.8, 0.00293132/step, 1.11325 hours remaining, 207.515625 MB of memory in use. ENERGY: 3632800 761.4722 2049.4624 1947.5613 118.8373 -206005.7168 17663.7917 0.0000 0.0000 34253.7940 -149210.7980 299.1469 -183464.5919 -149120.2765 299.5010 -59.8874 -24.9924 557180.7915 8.7260 8.8560 PRESSURE: 3633000 -215.798 -9.50896 34.5124 -9.50847 -108.839 -208.675 34.5129 -208.675 -132.708 GPRESSURE: 3633000 -185.528 10.745 61.4185 10.654 -128.018 -240.386 1.47176 -180.886 -60.6129 PRESSAVG: 3633000 -31.4875 0.597256 -28.2631 0.597124 -14.5067 -22.6393 -28.2631 -22.6393 18.7609 GPRESSAVG: 3633000 -33.3231 1.71583 -28.7368 1.06642 -14.3599 -20.9299 -28.1525 -24.8716 20.6796 TIMING: 3633000 CPU: 10553.4, 0.00293071/step Wall: 10553.4, 0.00293071/step, 1.11286 hours remaining, 207.515625 MB of memory in use. ENERGY: 3633000 724.0316 2049.4784 1948.0096 115.7670 -205796.6954 17415.7692 0.0000 0.0000 34135.6663 -149407.9734 298.1153 -183543.6397 -149312.1941 298.5366 -152.4485 -124.7197 557457.1564 -9.0778 -9.0011 PRESSURE: 3633200 -279.293 -85.1629 47.0053 -85.1642 -237.665 -119.07 47.0034 -119.07 -85.7943 GPRESSURE: 3633200 -223.446 -167.465 19.5046 -67.3067 -251.45 -148.721 59.7976 -63.5675 -40.0479 PRESSAVG: 3633200 30.5166 -79.2739 -3.22731 -79.2739 22.1775 -10.2114 -3.22734 -10.2115 -35.2065 GPRESSAVG: 3633200 32.0959 -79.6582 -1.53518 -80.4883 20.6948 -11.8983 -4.47499 -8.13294 -35.5457 TIMING: 3633200 CPU: 10553.9, 0.00293849/step Wall: 10553.9, 0.00293849/step, 1.11565 hours remaining, 207.515625 MB of memory in use. ENERGY: 3633200 762.0164 2071.5406 1928.5242 111.0247 -206052.9704 17522.7362 0.0000 0.0000 34258.1543 -149398.9741 299.1850 -183657.1283 -149295.2426 298.9399 -200.9174 -171.6479 558466.1984 5.8292 5.7483 PRESSURE: 3633400 4.04632 238.1 -104.849 238.099 5.39654 -65.2307 -104.851 -65.2323 -331.447 GPRESSURE: 3633400 34.157 285.075 -72.1364 148.026 26.2549 -55.6252 -92.5617 -124.972 -291.184 PRESSAVG: 3633400 5.54853 21.6902 -13.0434 21.6902 9.26106 -94.281 -13.0434 -94.281 -9.3195 GPRESSAVG: 3633400 5.47223 22.7025 -14.6334 21.3748 9.87127 -93.9646 -9.7038 -94.1974 -9.81253 TIMING: 3633400 CPU: 10554.5, 0.0029221/step Wall: 10554.5, 0.0029221/step, 1.10926 hours remaining, 207.515625 MB of memory in use. ENERGY: 3633400 743.5078 2120.8162 1938.2475 106.9724 -206087.6024 17545.2318 0.0000 0.0000 34202.5740 -149430.2526 298.6996 -183632.8266 -149332.4601 298.4368 -107.3347 -76.9242 557044.4007 1.8300 1.8437 PRESSURE: 3633600 125.722 158.89 -74.7766 158.891 -63.2728 96.2866 -74.7777 96.2871 -317 GPRESSURE: 3633600 169.658 173.517 -109.875 213.889 -30.5305 169.058 -28.5713 38.7385 -290.259 PRESSAVG: 3633600 4.24119 -1.63034 -70.3643 -1.63038 63.5725 -30.5788 -70.3643 -30.5788 -57.3555 GPRESSAVG: 3633600 4.68356 -2.3193 -69.6275 0.831244 64.3082 -31.6698 -71.0309 -29.9347 -58.5435 TIMING: 3633600 CPU: 10555.1, 0.00294366/step Wall: 10555.1, 0.00294366/step, 1.11728 hours remaining, 207.515625 MB of memory in use. ENERGY: 3633600 734.9169 2118.0456 1961.1370 103.1712 -206159.5327 17634.9470 0.0000 0.0000 34105.3383 -149501.9767 297.8504 -183607.3150 -149401.4971 298.5432 -84.8502 -50.3773 557681.5800 3.4860 3.4827 PRESSURE: 3633800 -180.065 74.9255 -141.984 74.9256 -168.002 0.0417901 -141.984 0.0414863 -76.6458 GPRESSURE: 3633800 -131.561 51.2084 -121.884 52.4517 -160.047 66.6235 -89.6623 32.1701 -28.929 PRESSAVG: 3633800 58.2951 46.9002 -55.8888 46.9004 5.34687 -28.1215 -55.8889 -28.1214 -62.0682 GPRESSAVG: 3633800 57.6444 46.6025 -57.5565 45.3052 4.75961 -26.8346 -54.2062 -28.597 -60.2968 TIMING: 3633800 CPU: 10555.7, 0.00294301/step Wall: 10555.7, 0.00294301/step, 1.11687 hours remaining, 207.515625 MB of memory in use. ENERGY: 3633800 725.9640 2068.8379 1942.9222 104.3898 -206306.5264 17691.7701 0.0000 0.0000 34287.4375 -149485.2049 299.4407 -183772.6424 -149388.8745 298.3920 -141.5709 -106.8454 557497.4587 0.5246 0.7024 PRESSURE: 3634000 -98.7536 -151.21 46.2066 -151.211 -168.252 32.9517 46.2079 32.9529 -126.723 GPRESSURE: 3634000 -40.7884 -117.632 63.1932 -162.898 -178.045 -9.62818 67.5852 1.96969 -75.4931 PRESSAVG: 3634000 22.6699 6.24281 0.563091 6.24266 2.53703 -37.5848 0.563072 -37.5848 -15.707 GPRESSAVG: 3634000 22.5306 5.29924 2.74526 6.03971 3.84287 -38.4686 -1.67126 -36.3494 -16.9282 TIMING: 3634000 CPU: 10556.3, 0.0029451/step Wall: 10556.3, 0.0029451/step, 1.1175 hours remaining, 207.515625 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: 3634000 721.3574 2093.2630 1931.9185 108.6079 -206111.6853 17498.7250 0.0000 0.0000 34359.8137 -149397.9999 300.0728 -183757.8136 -149296.9013 299.0383 -131.2427 -98.1090 556893.2349 3.1666 3.1484 PRESSURE: 3634200 -246.884 109.433 -123.423 109.433 -103.058 117.301 -123.423 117.3 54.9344 GPRESSURE: 3634200 -223.014 163.01 -156.316 110.878 -80.2051 159.819 -82.9597 60.9403 103.945 PRESSAVG: 3634200 28.3903 -18.6888 -42.196 -18.6887 -1.95099 8.15267 -42.196 8.15264 10.9757 GPRESSAVG: 3634200 27.5552 -18.9118 -43.4017 -18.6359 -2.16169 8.06012 -41.5498 6.62186 12.3637 TIMING: 3634200 CPU: 10556.9, 0.00293605/step Wall: 10556.9, 0.00293605/step, 1.1139 hours remaining, 207.515625 MB of memory in use. ENERGY: 3634200 730.1747 2073.5789 1971.3930 114.6392 -206377.0814 17740.2495 0.0000 0.0000 34090.5804 -149656.4658 297.7215 -183747.0462 -149560.8721 299.0610 -98.3357 -66.4248 556416.9839 12.4717 12.5857 PRESSURE: 3634400 -385.319 -193.158 32.6965 -193.158 -87.4792 46.9532 32.6962 46.9533 -298.276 GPRESSURE: 3634400 -342.167 -174.065 19.0493 -199.949 -108.131 20.9904 60.8115 75.5256 -205.565 PRESSAVG: 3634400 16.6352 -0.688366 53.353 -0.688409 -7.73922 -21.3225 53.3531 -21.3226 24.4954 GPRESSAVG: 3634400 18.7281 -0.495797 53.4287 -1.18538 -8.05965 -21.6511 53.5541 -21.5552 23.2664 TIMING: 3634400 CPU: 10557.5, 0.00293128/step Wall: 10557.5, 0.00293128/step, 1.11193 hours remaining, 207.515625 MB of memory in use. ENERGY: 3634400 783.8031 2047.1538 1934.8792 111.8817 -206302.7191 17783.8139 0.0000 0.0000 34045.5936 -149595.5938 297.3286 -183641.1874 -149495.4350 298.1641 -257.0247 -218.6210 557769.2886 11.1305 11.3116 PRESSURE: 3634600 44.4608 119.165 17.2788 119.167 5.74321 88.3126 17.2787 88.3127 174.814 GPRESSURE: 3634600 35.145 91.6543 104.139 111.05 115.937 145.192 23.0899 26.8028 169.469 PRESSAVG: 3634600 37.3496 22.2524 29.8339 22.2524 -34.5892 28.5004 29.8338 28.5002 19.6349 GPRESSAVG: 3634600 35.3242 21.7388 29.7381 23.3449 -35.1556 26.8158 30.2333 28.2801 21.7575 TIMING: 3634600 CPU: 10558.1, 0.00293999/step Wall: 10558.1, 0.00293999/step, 1.11507 hours remaining, 207.515625 MB of memory in use. ENERGY: 3634600 757.8918 2096.8448 1946.6882 113.0332 -206440.2461 17878.4835 0.0000 0.0000 34168.2937 -149479.0109 298.4002 -183647.3046 -149381.1142 298.0682 75.0061 106.8503 556332.6306 7.4651 7.3087 PRESSURE: 3634800 -115.636 191.009 105.867 191.01 -124.872 16.4029 105.867 16.4035 -101.082 GPRESSURE: 3634800 -85.4231 147.882 120.802 287.06 -75.1899 84.8971 71.3322 -0.399105 -76.0727 PRESSAVG: 3634800 10.9108 49.8146 -6.53299 49.8145 -1.64965 11.0783 -6.533 11.0784 -20.6882 GPRESSAVG: 3634800 11.7193 49.7747 -10.2559 49.1161 -1.33297 13.8178 -4.64013 9.94423 -21.9176 TIMING: 3634800 CPU: 10558.6, 0.00293931/step Wall: 10558.6, 0.00293931/step, 1.11465 hours remaining, 207.515625 MB of memory in use. ENERGY: 3634800 715.7371 2086.8124 1931.5330 109.6546 -206426.4617 17701.1648 0.0000 0.0000 34360.4119 -149521.1478 300.0780 -183881.5597 -149422.6306 297.8165 -113.8633 -78.8952 556798.2927 -3.8090 -3.8438 PRESSURE: 3635000 198.607 57.9642 51.0618 57.9639 48.6435 -64.0013 51.0612 -64.0035 -108.343 GPRESSURE: 3635000 221.472 55.5132 14.2059 39.2182 65.8042 -69.5843 -6.52314 -39.8415 -50.7467 PRESSAVG: 3635000 -50.8584 37.2164 -23.1324 37.2164 67.2216 -25.5911 -23.1324 -25.591 -63.9425 GPRESSAVG: 3635000 -51.4799 36.9392 -19.7449 36.4389 68.1474 -28.6375 -26.6752 -25.1573 -64.4219 TIMING: 3635000 CPU: 10559.2, 0.00290357/step Wall: 10559.2, 0.00290357/step, 1.10094 hours remaining, 207.515625 MB of memory in use. ENERGY: 3635000 724.0426 2048.6904 1926.2580 109.9895 -206235.1129 17801.3015 0.0000 0.0000 34126.8329 -149497.9981 298.0381 -183624.8310 -149401.3619 298.1633 46.3028 78.8432 556646.3868 -15.8598 -15.9181 PRESSURE: 3635200 -427.56 -92.4268 3.12074 -92.4266 -142.048 -108.572 3.12027 -108.572 56.7654 GPRESSURE: 3635200 -354.184 -48.4764 -4.66165 -142.809 -119.42 -201.386 -32.4507 -34.5853 50.6141 PRESSAVG: 3635200 -26.7247 -4.53135 0.653894 -4.53128 43.1915 -35.1142 0.653801 -35.1143 -1.52231 GPRESSAVG: 3635200 -25.0385 -2.59493 1.81689 -4.71206 41.5084 -35.819 0.756777 -33.8535 -1.51738 TIMING: 3635200 CPU: 10559.8, 0.00294788/step Wall: 10559.8, 0.00294788/step, 1.11757 hours remaining, 207.515625 MB of memory in use. ENERGY: 3635200 763.5675 2076.2595 1937.9103 121.8395 -206152.9044 17552.2015 0.0000 0.0000 34153.0282 -149548.0979 298.2669 -183701.1261 -149455.9632 297.7782 -170.9476 -140.9965 556927.9901 4.9815 4.9842 PRESSURE: 3635400 -142.517 114.282 127.591 114.284 -56.561 -128.428 127.592 -128.429 -298.036 GPRESSURE: 3635400 -126.982 144.448 156.072 94.6417 -72.9334 -159.218 133.606 -173.954 -202.769 PRESSAVG: 3635400 -4.06248 56.4662 31.3703 56.4662 21.5024 -38.5026 31.3703 -38.5024 -22.7594 GPRESSAVG: 3635400 -5.16226 54.8056 30.7107 56.6457 22.5053 -36.7597 33.0528 -38.3753 -22.8787 TIMING: 3635400 CPU: 10560.4, 0.00293323/step Wall: 10560.4, 0.00293323/step, 1.11186 hours remaining, 207.515625 MB of memory in use. ENERGY: 3635400 768.2812 2097.9147 1956.7867 105.3990 -206086.5207 17531.9662 0.0000 0.0000 34308.7950 -149317.3778 299.6272 -183626.1728 -149218.7241 298.3613 -165.7046 -134.2282 556853.9540 -1.7731 -1.8452 PRESSURE: 3635600 57.3281 15.1201 93.7476 15.1197 125.15 -82.1204 93.7466 -82.1187 -295.425 GPRESSURE: 3635600 38.3939 30.9126 136.943 -1.8525 129.146 -19.5293 38.7685 -127.49 -194.543 PRESSAVG: 3635600 -28.8982 -75.0851 54.3447 -75.0851 61.3568 -77.0841 54.3448 -77.0841 5.00449 GPRESSAVG: 3635600 -28.9239 -74.4635 54.1033 -75.2139 61.2221 -76.4464 52.436 -75.6195 4.69007 TIMING: 3635600 CPU: 10561, 0.00294463/step Wall: 10561, 0.00294463/step, 1.11601 hours remaining, 207.515625 MB of memory in use. ENERGY: 3635600 756.0590 2032.6598 1950.9255 110.2716 -206308.2010 17971.0199 0.0000 0.0000 34030.2430 -149457.0221 297.1946 -183487.2652 -149357.9083 298.7443 -37.6489 -9.0012 558238.4793 12.4877 12.3294 PRESSURE: 3635800 43.2613 -19.7285 32.4473 -19.7294 14.7708 95.4729 32.4476 95.4732 -1.00639 GPRESSURE: 3635800 107.015 79.3128 48.4815 -77.8492 39.5108 82.2118 61.5252 145.77 1.94561 PRESSAVG: 3635800 21.4009 19.2135 48.2683 19.2135 31.5202 42.9327 48.2684 42.9327 -31.3789 GPRESSAVG: 3635800 21.2112 18.8896 47.0453 19.9667 31.3233 44.6841 48.91 41.4863 -31.365 TIMING: 3635800 CPU: 10561.6, 0.00292915/step Wall: 10561.6, 0.00292915/step, 1.10998 hours remaining, 207.515625 MB of memory in use. ENERGY: 3635800 727.5936 2056.1576 1961.9488 119.5506 -205870.5729 17685.1345 0.0000 0.0000 34008.2918 -149311.8960 297.0029 -183320.1878 -149209.5852 298.8350 19.0086 49.4905 558104.3158 7.1808 7.0565 PRESSURE: 3636000 -224.057 -106.639 -34.9005 -106.64 -25.1414 221.641 -34.8999 221.641 -8.38557 GPRESSURE: 3636000 -205.242 -66.7997 -66.2463 -148.723 22.2777 286.297 26.4423 175.488 20.1218 PRESSAVG: 3636000 -19.4651 -2.70836 1.13669 -2.7084 61.7292 -30.8414 1.13666 -30.8414 -11.9165 GPRESSAVG: 3636000 -19.7221 -1.34842 4.97624 -4.66195 61.9827 -32.6752 0.733509 -30.1469 -12.627 TIMING: 3636000 CPU: 10562.2, 0.00291376/step Wall: 10562.2, 0.00291376/step, 1.10399 hours remaining, 207.515625 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: 3636000 738.2264 2020.2121 1946.4544 128.0155 -206377.6540 17818.6357 0.0000 0.0000 34203.5122 -149522.5978 298.7078 -183726.1100 -149421.8004 298.5480 -85.8614 -54.2807 557104.0225 10.1159 9.8779 PRESSURE: 3636200 260.43 84.2975 -61.6658 84.2974 -134.585 -33.0656 -61.6662 -33.0652 184.653 GPRESSURE: 3636200 258.484 54.196 -125.416 118.58 -53.1057 -83.578 7.2283 5.18858 205.968 PRESSAVG: 3636200 46.9488 24.5036 40.4463 24.5036 6.0919 -10.8878 40.4463 -10.8878 -29.7285 GPRESSAVG: 3636200 46.0591 22.0141 38.8278 26.2647 6.98478 -11.9109 40.8059 -12.5973 -29.7069 TIMING: 3636200 CPU: 10562.7, 0.0029559/step Wall: 10562.7, 0.0029559/step, 1.11979 hours remaining, 207.515625 MB of memory in use. ENERGY: 3636200 747.4468 2062.0040 1937.8768 114.9130 -206702.4670 18024.1324 0.0000 0.0000 34030.7597 -149785.3342 297.1991 -183816.0939 -149688.3083 297.6091 103.4992 137.1154 557151.9461 7.7707 7.7790 LDB: ============= START OF LOAD BALANCING ============== 10566.2 LDB: ============== END OF LOAD BALANCING =============== 10566.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10566.2 LDB: ============= START OF LOAD BALANCING ============== 10566.5 LDB: Largest compute 4820 load 0.030950 is 26.2% of average load 0.118000 LDB: Average compute 0.001730 is 1.5% of average load 0.118000 LDB: TIME 10566.5 LOAD: AVG 0.118 MAX 0.186757 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.043 MB LDB: TIME 10566.5 LOAD: AVG 0.118 MAX 0.186757 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: TIME 10566.5 LOAD: AVG 0.118 MAX 0.186757 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.051 MB LDB: ============== END OF LOAD BALANCING =============== 10566.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10566.5 PRESSURE: 3636400 208.499 8.42834 191.607 8.42856 325.022 73.911 191.608 73.9107 -15.6579 GPRESSURE: 3636400 278.371 86.2936 242.358 -36.8202 331.082 43.8739 167.65 87.3565 22.8899 PRESSAVG: 3636400 83.3614 26.033 -11.9509 26.0329 -44.4143 62.4578 -11.9507 62.4579 -51.6367 GPRESSAVG: 3636400 83.979 28.2212 -11.5915 26.0456 -45.2603 63.9491 -11.1311 63.7686 -51.5041 TIMING: 3636400 CPU: 10563.3, 0.00298655/step Wall: 10563.3, 0.00298655/step, 1.13124 hours remaining, 207.113281 MB of memory in use. ENERGY: 3636400 730.3404 2067.2703 1949.2630 105.1252 -206928.7810 18258.3463 0.0000 0.0000 34110.9910 -149707.4449 297.8998 -183818.4359 -149609.3253 297.7617 172.6212 210.7809 557088.1363 -4.2299 -4.2618 PRESSURE: 3636600 -107.873 -139.07 -122.663 -139.072 -74.4743 -68.1657 -122.663 -68.1679 -254.972 GPRESSURE: 3636600 -94.9585 -121.016 -58.129 -104.774 -58.3846 -73.826 -149.444 -64.8011 -195.241 PRESSAVG: 3636600 -27.5176 -38.6498 22.0875 -38.6498 31.7172 49.2619 22.0875 49.2618 10.2007 GPRESSAVG: 3636600 -26.9177 -39.0413 22.7133 -40.0414 30.2183 48.5224 21.5928 48.7477 11.0131 TIMING: 3636600 CPU: 10563.9, 0.00294991/step Wall: 10563.9, 0.00294991/step, 1.1172 hours remaining, 207.316406 MB of memory in use. ENERGY: 3636600 732.2247 2071.4367 1957.1461 108.8497 -206122.0311 17523.5103 0.0000 0.0000 34158.0293 -149570.8343 298.3106 -183728.8636 -149468.2023 297.7085 -145.7731 -116.1947 557463.1533 4.8001 4.7712 PRESSURE: 3636800 -38.1708 -32.9928 -116.428 -32.993 -98.1231 71.3605 -116.429 71.3599 -201.349 GPRESSURE: 3636800 -22.9374 44.9226 -138.258 11.6322 -63.1112 53.4244 -178.235 101.079 -153.784 PRESSAVG: 3636800 12.5526 -29.5881 -49.4543 -29.5881 -68.4639 -17.9901 -49.4543 -17.9902 25.8709 GPRESSAVG: 3636800 11.6648 -28.8241 -50.3071 -29.4763 -66.6832 -15.7018 -49.0033 -16.8289 25.3971 TIMING: 3636800 CPU: 10564.5, 0.0028911/step Wall: 10564.5, 0.0028911/step, 1.09476 hours remaining, 207.316406 MB of memory in use. ENERGY: 3636800 738.8372 2072.9277 1960.5812 118.0302 -206362.3943 17843.6962 0.0000 0.0000 34262.8407 -149365.4811 299.2259 -183628.3218 -149264.0902 299.2026 -112.5477 -79.9444 557716.8706 -10.0135 -9.8738 PRESSURE: 3637000 -70.2045 -125.408 -14.5621 -125.407 -104.13 136.508 -14.561 136.506 -104.85 GPRESSURE: 3637000 -37.6412 -95.0142 14.6394 -146.827 -110.531 134.484 13.1069 61.0103 -31.0227 PRESSAVG: 3637000 34.4376 -60.6394 -55.9308 -60.6394 -18.0665 1.49176 -55.9308 1.4919 -2.2885 GPRESSAVG: 3637000 34.2698 -61.5304 -56.493 -60.8079 -19.4434 -2.47959 -57.6489 0.315881 -0.929957 TIMING: 3637000 CPU: 10565.1, 0.0029087/step Wall: 10565.1, 0.0029087/step, 1.10127 hours remaining, 207.316406 MB of memory in use. ENERGY: 3637000 773.1901 2054.1544 1936.5615 104.2717 -206427.1116 17745.0259 0.0000 0.0000 34382.7594 -149431.1487 300.2732 -183813.9081 -149337.9457 298.8845 -93.0613 -59.7316 556943.8118 4.6942 4.6322 PRESSURE: 3637200 144.875 -35.1752 113.438 -35.1747 109.995 -97.9808 113.438 -97.9808 108.08 GPRESSURE: 3637200 187.914 -15.1415 144.98 -42.7201 144.692 -107.567 144.037 -141.771 122.931 PRESSAVG: 3637200 23.7039 -50.8757 -6.12178 -50.8757 -27.2138 -15.0106 -6.12181 -15.0106 6.2228 GPRESSAVG: 3637200 24.5833 -53.0067 -7.17668 -49.6966 -25.8717 -11.9958 -4.31757 -15.6412 4.70435 TIMING: 3637200 CPU: 10565.7, 0.00290953/step Wall: 10565.7, 0.00290953/step, 1.10142 hours remaining, 207.316406 MB of memory in use. ENERGY: 3637200 748.3488 2070.0149 1971.7342 117.5933 -206701.5318 18117.9266 0.0000 0.0000 34195.4209 -149480.4931 298.6371 -183675.9140 -149384.0808 298.4841 120.9834 151.8455 555883.8565 0.9043 1.1386 PRESSURE: 3637400 -17.8708 95.5797 104.381 95.579 122.338 -27.5306 104.382 -27.5328 -194.862 GPRESSURE: 3637400 37.4299 10.6828 83.9757 150.161 128.352 -76.3222 143.677 -67.0328 -163.296 PRESSAVG: 3637400 53.4194 -11.2367 -2.53131 -11.2366 76.3704 4.68616 -2.53133 4.6862 -101.571 GPRESSAVG: 3637400 54.2614 -9.98918 1.17171 -12.1213 75.0705 3.91435 -2.05626 4.39505 -100.527 TIMING: 3637400 CPU: 10566.3, 0.00291558/step Wall: 10566.3, 0.00291558/step, 1.10355 hours remaining, 207.316406 MB of memory in use. ENERGY: 3637400 722.2826 2150.7249 1955.8704 109.8540 -206446.0882 17786.9679 0.0000 0.0000 34200.7848 -149519.6036 298.6840 -183720.3884 -149424.5063 298.6631 -30.1317 0.8284 554879.7583 9.4062 9.6018 PRESSURE: 3637600 -284.312 -76.7311 -40.4265 -76.7321 -22.7006 -19.3797 -40.4262 -19.3788 -175.342 GPRESSURE: 3637600 -263.76 20.3604 -77.4029 -102.669 -26.3543 -82.4751 -10.9784 11.176 -92.4594 PRESSAVG: 3637600 18.9426 -26.7867 -13.2613 -26.7867 6.00983 -2.72208 -13.2612 -2.72202 3.63347 GPRESSAVG: 3637600 18.4772 -24.7366 -13.2403 -26.4306 6.43801 -2.22339 -13.2397 -1.32158 4.47995 TIMING: 3637600 CPU: 10566.8, 0.00292802/step Wall: 10566.8, 0.00292802/step, 1.10809 hours remaining, 207.316406 MB of memory in use. ENERGY: 3637600 760.6308 2097.3084 1950.6150 112.1791 -206535.8454 17860.5722 0.0000 0.0000 34162.9365 -149591.6033 298.3534 -183754.5399 -149501.8303 298.1621 -160.7850 -127.5246 556746.6760 9.5286 9.7984 PRESSURE: 3637800 -127.244 -62.3578 157.264 -62.3579 18.4323 62.7511 157.263 62.7511 -269.499 GPRESSURE: 3637800 -84.4076 -34.4246 187.761 -35.093 67.1862 28.8242 148.293 50.0125 -252.47 PRESSAVG: 3637800 22.0093 -22.073 18.7123 -22.073 46.8617 26.8852 18.7122 26.8851 -77.6498 GPRESSAVG: 3637800 21.8268 -23.6665 17.277 -20.9169 47.058 28.3878 17.0593 25.7173 -78.5238 TIMING: 3637800 CPU: 10567.4, 0.00291569/step Wall: 10567.4, 0.00291569/step, 1.10327 hours remaining, 207.316406 MB of memory in use. ENERGY: 3637800 720.6047 2073.7944 1957.8611 100.2657 -206085.9111 17640.7613 0.0000 0.0000 33996.0371 -149596.5868 296.8958 -183592.6239 -149497.9627 297.8143 -126.1037 -89.8970 557362.7881 -2.9262 -3.2130 PRESSURE: 3638000 -264.841 25.134 -35.0466 25.1331 -239.885 30.4864 -35.0459 30.4856 -31.0398 GPRESSURE: 3638000 -235.05 -114.497 16.4101 145.056 -187.484 -4.66081 -64.2467 -25.7081 -6.74908 PRESSAVG: 3638000 48.5294 7.86777 35.0223 7.86772 -6.17899 19.9423 35.0224 19.9422 -7.26041 GPRESSAVG: 3638000 47.9297 8.93451 33.2426 6.08165 -4.5875 16.726 37.0591 23.197 -8.44489 TIMING: 3638000 CPU: 10568, 0.00293372/step Wall: 10568, 0.00293372/step, 1.10993 hours remaining, 207.316406 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: 3638000 759.7419 2057.0317 1957.6001 102.3402 -206414.9193 17673.7119 0.0000 0.0000 34149.6130 -149714.8805 298.2371 -183864.4935 -149616.2278 298.3496 -178.5883 -143.0945 558226.3115 11.6967 11.6324 PRESSURE: 3638200 -179.303 -207.218 -148.963 -207.218 73.7448 -156.047 -148.964 -156.044 -28.618 GPRESSURE: 3638200 -138.619 -205.602 -107.384 -238.29 99.9864 -238.857 -146.317 -86.0499 6.3553 PRESSAVG: 3638200 -1.50197 -66.4781 4.38348 -66.4781 -46.4142 -9.58837 4.3835 -9.58832 10.637 GPRESSAVG: 3638200 -0.850774 -67.012 3.86348 -65.5679 -47.3947 -8.53716 4.16391 -11.3166 10.6131 TIMING: 3638200 CPU: 10568.6, 0.00294475/step Wall: 10568.6, 0.00294475/step, 1.11393 hours remaining, 207.316406 MB of memory in use. ENERGY: 3638200 783.0529 2043.1842 1941.5767 107.8621 -206627.3816 17864.1484 0.0000 0.0000 34061.7671 -149825.7903 297.4699 -183887.5574 -149721.0758 297.6977 -44.7256 -10.7592 558407.5853 -12.4264 -12.5441 PRESSURE: 3638400 -352.483 -10.1889 -116.216 -10.1877 61.1654 -58.9883 -116.215 -58.9905 -143.905 GPRESSURE: 3638400 -373.976 -61.2073 -162.877 -47.5985 87.3509 -79.925 -191.179 13.6686 -59.9327 PRESSAVG: 3638400 -23.792 -26.4157 -19.1679 -26.4157 -18.4037 -16.6761 -19.1679 -16.6761 46.5339 GPRESSAVG: 3638400 -24.3973 -27.9373 -18.3721 -25.3539 -18.9039 -16.8437 -18.2865 -15.5847 48.007 TIMING: 3638400 CPU: 10569.2, 0.00293286/step Wall: 10569.2, 0.00293286/step, 1.10927 hours remaining, 207.316406 MB of memory in use. ENERGY: 3638400 741.6021 2090.5313 1957.3230 125.9499 -206562.2435 17827.1195 0.0000 0.0000 34084.3814 -149735.3362 297.6674 -183819.7176 -149643.6376 297.9737 -145.0741 -115.5194 556125.4454 1.4461 1.5686 PRESSURE: 3638600 -482.431 17.7906 -35.1592 17.7896 42.2728 -85.6193 -35.16 -85.6171 -58.8422 GPRESSURE: 3638600 -429.568 -44.9418 23.6847 -12.3402 78.1335 -166.773 -77.3047 -99.6896 -32.5152 PRESSAVG: 3638600 14.2349 14.4309 -0.580079 14.431 88.0464 -23.1095 -0.580079 -23.1095 -36.7194 GPRESSAVG: 3638600 15.6541 16.7 -1.67608 13.8231 87.6045 -22.5035 -0.805449 -25.861 -37.3863 TIMING: 3638600 CPU: 10569.8, 0.00291953/step Wall: 10569.8, 0.00291953/step, 1.10407 hours remaining, 207.316406 MB of memory in use. ENERGY: 3638600 751.5784 2099.5862 1952.3692 105.8630 -206162.2701 17600.0052 0.0000 0.0000 33979.8044 -149673.0637 296.7541 -183652.8681 -149578.8666 298.4880 -166.3334 -127.9833 556780.1270 21.8540 21.9574 PRESSURE: 3638800 171.87 17.6858 72.8736 17.6856 117.918 -12.2151 72.8731 -12.2177 159.65 GPRESSURE: 3638800 251.867 -21.0593 140.384 74.5923 193.263 36.1745 -26.6917 -49.915 108.684 PRESSAVG: 3638800 -81.3979 -7.69311 17.1208 -7.69301 30.2337 -28.9559 17.1209 -28.9559 20.8644 GPRESSAVG: 3638800 -82.5125 -7.83952 17.5231 -7.11089 30.3169 -30.3487 15.9655 -28.0321 21.8636 TIMING: 3638800 CPU: 10570.4, 0.00291163/step Wall: 10570.4, 0.00291163/step, 1.10092 hours remaining, 207.316406 MB of memory in use. ENERGY: 3638800 726.4326 2065.4939 1953.1015 129.5666 -206747.2548 17985.7706 0.0000 0.0000 34309.1610 -149577.7286 299.6304 -183886.8896 -149479.8382 298.6669 149.8127 184.6046 555542.3487 -10.0999 -10.1107 PRESSURE: 3639000 2.9458 -156.892 -105.413 -156.891 -89.9971 16.6245 -105.414 16.6259 -29.0907 GPRESSURE: 3639000 54.4282 -185.406 -44.3147 -167.134 -51.2235 -1.59017 -97.3828 132.44 -27.4883 PRESSAVG: 3639000 49.5874 -16.7451 22.9257 -16.7451 52.9172 -31.2573 22.9258 -31.2573 -26.8549 GPRESSAVG: 3639000 50.0608 -17.6977 24.4063 -16.7123 52.5666 -27.7601 23.5039 -30.2921 -27.0915 TIMING: 3639000 CPU: 10570.9, 0.00291658/step Wall: 10570.9, 0.00291658/step, 1.10263 hours remaining, 207.316406 MB of memory in use. ENERGY: 3639000 763.4791 2148.7842 1954.0895 117.3243 -206443.2537 17863.6044 0.0000 0.0000 34073.7530 -149522.2191 297.5746 -183595.9721 -149429.5594 298.4766 -38.7140 -8.0945 556999.2903 25.2166 25.1786 PRESSURE: 3639200 60.0801 -47.0657 -42.1366 -47.0659 16.4437 -12.1807 -42.1374 -12.1818 -121.611 GPRESSURE: 3639200 44.5349 -8.82913 0.728477 -57.359 133.63 -15.731 -74.5249 -12.6574 -111.542 PRESSAVG: 3639200 47.7621 0.180296 -32.4048 0.180208 -36.3817 -43.3233 -32.4048 -43.3233 -44.2846 GPRESSAVG: 3639200 48.6005 0.961458 -33.9598 -1.05333 -36.8183 -43.1659 -32.705 -44.1077 -44.9557 TIMING: 3639200 CPU: 10571.5, 0.00291746/step Wall: 10571.5, 0.00291746/step, 1.1028 hours remaining, 207.316406 MB of memory in use. ENERGY: 3639200 758.5828 2052.5139 1960.0103 114.6598 -206614.1490 17924.9330 0.0000 0.0000 34307.3553 -149496.0939 299.6147 -183803.4492 -149399.0000 298.3907 -15.0291 22.2078 557444.0193 -10.9681 -11.0578 PRESSURE: 3639400 137.36 -210.431 174.93 -210.431 -194.069 -111.128 174.93 -111.129 -177.075 GPRESSURE: 3639400 177.955 -219.939 208.896 -210.186 -141.954 -97.6775 212.832 -162.258 -170.234 PRESSAVG: 3639400 74.3273 -14.6123 32.1832 -14.6123 25.3534 -6.41914 32.1832 -6.4191 -62.695 GPRESSAVG: 3639400 73.4373 -13.1519 33.1457 -15.8027 25.9983 -8.51905 31.1607 -6.01935 -62.4914 TIMING: 3639400 CPU: 10572.1, 0.00290582/step Wall: 10572.1, 0.00290582/step, 1.09824 hours remaining, 207.386719 MB of memory in use. ENERGY: 3639400 787.1811 2117.5868 1974.6236 119.2606 -206237.9329 17794.8443 0.0000 0.0000 34054.4195 -149390.0170 297.4057 -183444.4365 -149295.4461 298.5569 -77.9282 -44.7445 557746.8482 12.3286 12.3147 PRESSURE: 3639600 64.6472 40.1158 -55.1204 40.1155 96.9577 -58.8296 -55.122 -58.8289 317.485 GPRESSURE: 3639600 66.3675 168.613 -54.5981 -35.6648 159.391 24.0302 -47.4609 -56.8179 340.173 PRESSAVG: 3639600 66.5914 -18.5395 -35.7572 -18.5395 -58.6765 22.6842 -35.7572 22.6841 -21.4958 GPRESSAVG: 3639600 65.4498 -18.0826 -34.5272 -18.1679 -57.4198 22.9424 -36.6342 23.6078 -21.1024 TIMING: 3639600 CPU: 10572.7, 0.00290466/step Wall: 10572.7, 0.00290466/step, 1.09764 hours remaining, 207.386719 MB of memory in use. ENERGY: 3639600 699.5620 2091.2558 1965.0088 97.9739 -206790.8043 18045.1118 0.0000 0.0000 34312.4034 -149579.4886 299.6588 -183891.8920 -149481.5715 298.3111 159.6966 188.6439 555407.9197 -4.5270 -4.3575 PRESSURE: 3639800 -78.6262 4.98424 -67.21 4.98503 188.991 26.8024 -67.2097 26.803 76.1395 GPRESSURE: 3639800 4.55473 18.8139 -106.13 -12.6298 213.532 -35.3885 -26.799 -22.4215 66.373 PRESSAVG: 3639800 -24.439 35.3571 -11.8551 35.3571 -2.44279 16.8572 -11.8551 16.8572 32.4961 GPRESSAVG: 3639800 -22.81 34.8775 -11.9309 36.905 -2.62618 17.2314 -10.4787 14.9952 31.6636 TIMING: 3639800 CPU: 10573.3, 0.00290934/step Wall: 10573.3, 0.00290934/step, 1.09925 hours remaining, 207.386719 MB of memory in use. ENERGY: 3639800 741.4054 2031.5601 1940.9520 111.6584 -206383.9849 17898.8394 0.0000 0.0000 34043.9540 -149615.6156 297.3143 -183659.5695 -149519.8692 298.0332 62.1681 94.8200 556286.3491 1.8714 2.0758 PRESSURE: 3640000 220.114 -8.7718 63.6863 -8.77048 -88.4597 38.9789 63.6866 38.9785 135.791 GPRESSURE: 3640000 240.87 20.6993 57.8916 -39.4301 -63.9483 16.2065 74.3003 110.839 188.056 PRESSAVG: 3640000 78.5185 4.07967 14.658 4.0797 14.2366 25.1428 14.658 25.1427 -73.6272 GPRESSAVG: 3640000 78.2911 3.01126 13.0956 2.96221 14.9844 23.4677 15.7414 27.1309 -74.502 TIMING: 3640000 CPU: 10573.9, 0.00296787/step Wall: 10573.9, 0.00296787/step, 1.12119 hours remaining, 207.386719 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: 3640000 748.5852 2134.1256 1958.2622 125.2181 -206355.0983 17886.5746 0.0000 0.0000 34091.8543 -149410.4784 297.7326 -183502.3327 -149323.8099 297.9818 89.1484 121.6591 555565.7189 6.3760 6.2578 PRESSURE: 3640200 -97.3848 -6.26494 -110.832 -6.26386 146.151 -40.736 -110.83 -40.7364 87.5118 GPRESSURE: 3640200 -82.8686 -1.87761 -131.225 24.6323 180.404 -36.7141 -88.049 -51.5117 127.961 PRESSAVG: 3640200 36.1002 -4.13763 -5.71155 -4.13755 0.550491 18.1425 -5.7116 18.1425 -50.0803 GPRESSAVG: 3640200 35.9557 -4.88531 -3.2463 -3.15647 0.22802 20.7156 -4.90844 17.8495 -50.2162 TIMING: 3640200 CPU: 10574.5, 0.00294708/step Wall: 10574.5, 0.00294708/step, 1.11318 hours remaining, 207.386719 MB of memory in use. ENERGY: 3640200 720.8362 2043.3963 1980.9187 123.8279 -206644.5099 18045.7651 0.0000 0.0000 34385.7371 -149344.0286 300.2992 -183729.7657 -149245.4275 298.6745 45.4259 75.1653 556666.8157 -4.4766 -4.6775 LDB: ============= START OF LOAD BALANCING ============== 10577.9 LDB: ============== END OF LOAD BALANCING =============== 10577.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10577.9 LDB: ============= START OF LOAD BALANCING ============== 10578.2 LDB: Largest compute 4820 load 0.030338 is 25.7% of average load 0.117879 LDB: Average compute 0.001724 is 1.5% of average load 0.117879 LDB: TIME 10578.2 LOAD: AVG 0.117879 MAX 0.187795 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 10578.2 LOAD: AVG 0.117879 MAX 0.187795 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: TIME 10578.2 LOAD: AVG 0.117879 MAX 0.187795 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: ============== END OF LOAD BALANCING =============== 10578.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10578.2 PRESSURE: 3640400 9.00065 -48.0711 5.54733 -48.071 -152.62 30.8497 5.54748 30.8485 -147.96 GPRESSURE: 3640400 41.3534 -42.2674 -40.0663 -54.9291 -130.617 53.1124 124.487 93.1305 -119.633 PRESSAVG: 3640400 10.8752 3.36172 47.9831 3.36161 9.12934 -24.0652 47.9831 -24.0652 -37.8464 GPRESSAVG: 3640400 10.631 5.03656 46.7163 2.34511 8.54764 -25.7066 46.5201 -24.2736 -37.4645 TIMING: 3640400 CPU: 10575.1, 0.00300886/step Wall: 10575.1, 0.00300886/step, 1.13635 hours remaining, 208.011719 MB of memory in use. ENERGY: 3640400 754.3423 2075.8226 1951.9610 114.5745 -206300.4567 17739.8033 0.0000 0.0000 34332.5155 -149331.4374 299.8344 -183663.9529 -149238.2136 298.5155 -97.1932 -69.6323 557765.5111 -5.9473 -6.0953 PRESSURE: 3640600 -47.2242 74.3532 202.629 74.3535 145.246 6.03545 202.628 6.0376 45.5576 GPRESSURE: 3640600 -11.7713 48.514 144.165 120.72 217.289 -32.6278 250.938 -48.1863 44.8616 PRESSAVG: 3640600 5.10698 -13.0805 67.5332 -13.0805 -5.07044 25.988 67.5332 25.988 23.4971 GPRESSAVG: 3640600 6.43693 -12.1122 67.7829 -12.8852 -6.1825 27.1093 67.0359 27.4638 23.0529 TIMING: 3640600 CPU: 10575.6, 0.00294332/step Wall: 10575.6, 0.00294332/step, 1.11143 hours remaining, 208.156250 MB of memory in use. ENERGY: 3640600 752.1119 2107.4819 1950.5365 108.8851 -206392.3049 17849.1551 0.0000 0.0000 34251.9747 -149372.1598 299.1310 -183624.1344 -149277.5698 299.2039 47.8600 83.4597 555921.6508 7.8446 7.7691 PRESSURE: 3640800 -109.211 -39.1526 -135.75 -39.153 -55.0926 -85.0392 -135.752 -85.0389 -228.03 GPRESSURE: 3640800 -85.9417 -48.1912 -100.8 -6.77937 -72.2596 -73.4532 -101.262 -89.1419 -131.053 PRESSAVG: 3640800 -31.6629 43.9691 1.33411 43.969 -21.6899 -47.0004 1.3342 -47.0005 11.101 GPRESSAVG: 3640800 -31.6728 41.4585 -0.0575263 45.7388 -21.9827 -47.8609 3.5997 -48.3132 11.8101 TIMING: 3640800 CPU: 10576.2, 0.00291398/step Wall: 10576.2, 0.00291398/step, 1.10019 hours remaining, 208.156250 MB of memory in use. ENERGY: 3640800 727.6095 2039.9074 1963.0430 113.1605 -206353.1549 17721.3093 0.0000 0.0000 34263.1487 -149524.9764 299.2286 -183788.1251 -149429.8371 297.9828 -130.7777 -96.4180 556926.8587 -14.0839 -13.9484 PRESSURE: 3641000 -114.016 -90.0925 200.336 -90.0913 -225.172 26.1205 200.336 26.1203 -337.092 GPRESSURE: 3641000 -62.7456 -111.457 205.248 -33.0665 -219.034 78.1973 198.803 84.3928 -298.886 PRESSAVG: 3641000 40.6385 16.3497 -45.949 16.3498 -57.08 20.2691 -45.9491 20.2691 -8.25054 GPRESSAVG: 3641000 39.04 16.3859 -46.3366 14.5825 -56.209 22.3041 -47.2312 21.1188 -7.75423 TIMING: 3641000 CPU: 10576.8, 0.00293722/step Wall: 10576.8, 0.00293722/step, 1.1088 hours remaining, 208.359375 MB of memory in use. ENERGY: 3641000 725.9387 2062.3225 1923.1572 95.6819 -205947.2379 17366.7477 0.0000 0.0000 34167.7813 -149605.6086 298.3957 -183773.3900 -149506.7367 297.7282 -225.4270 -193.5552 556796.9120 -8.2307 -8.3077 PRESSURE: 3641200 82.3879 -50.4985 -107.68 -50.4989 74.6788 -73.934 -107.681 -73.9347 143.961 GPRESSURE: 3641200 58.9206 -46.5713 -116.949 -59.804 128.981 -67.7993 -93.3963 -76.1294 210.222 PRESSAVG: 3641200 14.4526 34.2416 29.2395 34.2416 14.696 18.3322 29.2396 18.3322 -14.2957 GPRESSAVG: 3641200 15.347 37.2714 29.7918 33.378 13.557 16.9526 29.5356 18.424 -14.3234 TIMING: 3641200 CPU: 10577.4, 0.00296066/step Wall: 10577.4, 0.00296066/step, 1.11748 hours remaining, 208.359375 MB of memory in use. ENERGY: 3641200 692.9946 2109.9299 1951.1356 117.9999 -206580.8152 17830.1200 0.0000 0.0000 34279.5229 -149599.1124 299.3716 -183878.6353 -149501.0974 297.8991 100.3426 132.7078 555019.8419 4.9510 4.8602 PRESSURE: 3641400 25.4433 110.96 -134.041 110.96 -137.324 -43.2328 -134.042 -43.2334 -135.694 GPRESSURE: 3641400 30.5159 125.431 -110.633 129.26 -110.069 44.2785 -200.211 -122.331 -79.6409 PRESSAVG: 3641400 38.8885 40.3098 -15.1045 40.3098 -1.98592 -25.6626 -15.1045 -25.6625 -21.7168 GPRESSAVG: 3641400 38.6554 38.3012 -15.1204 42.5073 -0.929913 -26.2918 -15.5284 -25.1873 -22.863 TIMING: 3641400 CPU: 10578, 0.00294502/step Wall: 10578, 0.00294502/step, 1.11142 hours remaining, 208.359375 MB of memory in use. ENERGY: 3641400 749.4096 2098.2346 1948.2308 116.8652 -206177.8152 17679.8583 0.0000 0.0000 34070.4420 -149514.7747 297.5456 -183585.2168 -149417.2981 297.8458 -82.5251 -53.0647 556656.1684 5.0619 4.9542 PRESSURE: 3641600 121.644 20.9392 2.64845 20.94 -122.614 -167.795 2.64706 -167.797 -185.946 GPRESSURE: 3641600 169.906 63.6041 -62.4835 40.6763 -120.517 -191.712 7.44238 -127.873 -117.75 PRESSAVG: 3641600 64.7788 -2.1847 -20.7846 -2.18477 -39.7137 -0.800026 -20.7846 -0.800073 18.3494 GPRESSAVG: 3641600 65.486 0.00718497 -21.9659 -4.46228 -41.7117 -1.01741 -19.8546 -1.28237 19.9975 TIMING: 3641600 CPU: 10578.6, 0.00292385/step Wall: 10578.6, 0.00292385/step, 1.10326 hours remaining, 208.359375 MB of memory in use. ENERGY: 3641600 727.9158 2089.7917 1957.9133 96.4344 -206097.7934 17818.6396 0.0000 0.0000 33993.2115 -149413.8871 296.8712 -183407.0986 -149321.4551 298.1264 -62.3052 -22.7871 557231.7333 14.4715 14.5906 PRESSURE: 3641800 -33.9815 -119.967 -66.8973 -119.968 17.5115 -86.7463 -66.8963 -86.7448 -208.553 GPRESSURE: 3641800 -26.3457 -106.989 -67.5526 -185.996 17.4385 -77.7886 -118.451 -100.728 -128.403 PRESSAVG: 3641800 34.9159 26.2921 34.9275 26.2921 -39.4327 -53.9849 34.9276 -53.985 -36.2732 GPRESSAVG: 3641800 33.706 23.9181 36.5129 26.6008 -37.3906 -53.0514 31.786 -54.1263 -36.4284 TIMING: 3641800 CPU: 10579.2, 0.0029196/step Wall: 10579.2, 0.0029196/step, 1.1015 hours remaining, 208.359375 MB of memory in use. ENERGY: 3641800 768.4643 2064.1809 1967.1837 99.8271 -206122.8383 17583.7149 0.0000 0.0000 34174.5713 -149464.8961 298.4550 -183639.4674 -149366.6978 298.2524 -75.0076 -45.7699 557111.1551 -13.5966 -13.3710 PRESSURE: 3642000 32.4091 -47.7592 81.9743 -47.759 -51.2084 -61.8231 81.9731 -61.8228 -87.8595 GPRESSURE: 3642000 48.8478 -23.7805 30.3163 -62.088 34.9718 -113.263 63.9476 -36.1709 -95.8701 PRESSAVG: 3642000 75.9099 41.816 61.0977 41.8161 -0.554364 -35.3493 61.0977 -35.3492 -94.6513 GPRESSAVG: 3642000 76.8934 44.3764 58.8868 42.7157 -0.715531 -33.9372 63.5007 -35.2657 -95.1101 TIMING: 3642000 CPU: 10579.7, 0.00292305/step Wall: 10579.7, 0.00292305/step, 1.10264 hours remaining, 208.359375 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: 3642000 744.1737 2124.3737 2003.6614 101.9709 -206069.9695 17697.7218 0.0000 0.0000 33931.2795 -149466.7884 296.3303 -183398.0680 -149375.2471 298.4351 -35.5529 -4.0168 557093.8077 -6.4319 -6.3108 PRESSURE: 3642200 128.829 8.94861 122.181 8.94879 -152.183 -7.62743 122.18 -7.62744 -162.408 GPRESSURE: 3642200 132.602 -32.7502 31.5416 -14.4722 -136.054 -78.7349 193.611 -34.1449 -80.1773 PRESSAVG: 3642200 16.4251 8.66861 74.4861 8.66864 16.0041 -30.8794 74.4861 -30.8792 -34.7389 GPRESSAVG: 3642200 15.7287 8.10672 74.1476 10.0796 16.6871 -31.5559 72.6016 -30.484 -34.4224 TIMING: 3642200 CPU: 10580.3, 0.00292052/step Wall: 10580.3, 0.00292052/step, 1.10152 hours remaining, 208.359375 MB of memory in use. ENERGY: 3642200 702.9715 2130.9999 1965.3687 105.8376 -206386.1373 17921.1331 0.0000 0.0000 34170.0206 -149389.8059 298.4153 -183559.8264 -149293.2995 298.2892 -61.9207 -27.8764 559318.3762 -0.7699 -0.6689 PRESSURE: 3642400 174.547 -88.7356 -56.6163 -88.736 -100.464 -67.6018 -56.6151 -67.6016 -328.078 GPRESSURE: 3642400 164.926 5.85029 -32.9419 -50.0154 -43.3871 -85.7928 -59.0133 -72.9982 -290.47 PRESSAVG: 3642400 16.1757 17.781 42.0685 17.7811 55.3503 4.18399 42.0686 4.18407 -67.7098 GPRESSAVG: 3642400 16.9112 18.7261 43.7983 15.6456 56.1254 1.55154 41.9519 4.80661 -68.7173 TIMING: 3642400 CPU: 10580.9, 0.00291726/step Wall: 10580.9, 0.00291726/step, 1.10013 hours remaining, 208.359375 MB of memory in use. ENERGY: 3642400 741.5055 2091.1767 1990.3030 113.2755 -206382.6189 17859.2748 0.0000 0.0000 34342.9430 -149244.1404 299.9255 -183587.0834 -149151.6751 298.8721 -84.6651 -56.3104 558654.8673 1.2720 1.4398 PRESSURE: 3642600 -60.9696 17.3745 -30.8154 17.3741 -165.313 -88.0734 -30.8166 -88.0718 -204.725 GPRESSURE: 3642600 1.14854 -61.0638 -0.810047 42.3547 -190.574 -54.7597 -80.2902 -65.9926 -149.504 PRESSAVG: 3642600 26.522 -10.1808 39.5799 -10.1808 31.1425 23.5033 39.5799 23.5032 5.35607 GPRESSAVG: 3642600 26.3131 -10.553 37.8148 -8.90763 30.1921 25.3616 41.8702 24.3938 6.24601 TIMING: 3642600 CPU: 10581.5, 0.00292459/step Wall: 10581.5, 0.00292459/step, 1.10273 hours remaining, 208.359375 MB of memory in use. ENERGY: 3642600 765.8153 2096.3298 1979.4790 106.0327 -206535.6185 17879.8831 0.0000 0.0000 34372.3759 -149335.7027 300.1825 -183708.0786 -149245.3439 299.7730 -143.6692 -112.9764 558348.2479 21.0069 20.9171 PRESSURE: 3642800 -292.303 49.8506 141.601 49.8498 -8.13596 -74.7631 141.6 -74.7625 -218.857 GPRESSURE: 3642800 -235.468 15.6431 128.46 164.851 21.188 -106.227 97.82 -46.0769 -205.963 PRESSAVG: 3642800 -15.8127 -17.0217 4.66496 -17.0217 23.6073 -45.8273 4.66497 -45.8273 -13.7113 GPRESSAVG: 3642800 -15.4117 -16.8166 4.11357 -17.7464 23.5828 -43.7839 5.53834 -48.7581 -13.5599 TIMING: 3642800 CPU: 10582.1, 0.00292425/step Wall: 10582.1, 0.00292425/step, 1.10244 hours remaining, 208.359375 MB of memory in use. ENERGY: 3642800 726.4232 2110.9962 1973.8867 114.0710 -206286.4582 17670.8233 0.0000 0.0000 34273.4933 -149416.7644 299.3189 -183690.2577 -149329.2124 299.3394 -173.0986 -140.0810 558559.0072 -1.9722 -1.7963 PRESSURE: 3643000 148.18 -90.7057 -53.0221 -90.7065 258.927 -133.735 -53.0216 -133.734 -6.87065 GPRESSURE: 3643000 199.385 -107.163 -157.369 41.7425 290.739 -114.63 32.5542 -43.5565 1.56467 PRESSAVG: 3643000 -33.1379 -61.1618 17.8307 -61.1619 -14.9113 -15.9597 17.8307 -15.9597 -5.19597 GPRESSAVG: 3643000 -32.4128 -62.0708 19.1062 -59.7358 -14.0163 -17.8069 15.9753 -15.5005 -6.52893 TIMING: 3643000 CPU: 10582.7, 0.00290194/step Wall: 10582.7, 0.00290194/step, 1.09387 hours remaining, 208.359375 MB of memory in use. ENERGY: 3643000 740.4349 2080.2867 1967.0342 107.4516 -206851.0004 18210.9738 0.0000 0.0000 34397.7500 -149347.0692 300.4041 -183744.8192 -149256.3562 299.2182 133.4121 163.8961 557767.3329 -17.7484 -17.6527 PRESSURE: 3643200 197.72 -89.5232 -141.878 -89.5233 -37.8154 -102.744 -141.877 -102.744 59.5875 GPRESSURE: 3643200 217.265 -149.831 -183.799 -99.8457 17.7329 -137.76 -74.8312 -34.0116 91.648 PRESSAVG: 3643200 4.35909 -57.1784 -41.7634 -57.1784 -28.0833 -50.2658 -41.7634 -50.2658 65.1766 GPRESSAVG: 3643200 3.37202 -56.5764 -41.6264 -57.6461 -28.4943 -49.4984 -41.4451 -50.3964 66.6922 TIMING: 3643200 CPU: 10583.2, 0.00291591/step Wall: 10583.2, 0.00291591/step, 1.09897 hours remaining, 208.359375 MB of memory in use. ENERGY: 3643200 744.4751 2039.0595 1975.5180 101.5736 -206383.4096 18110.9472 0.0000 0.0000 34271.3253 -149140.5110 299.3000 -183411.8363 -149045.5840 299.4296 73.1641 108.8821 557940.7014 13.8175 13.8566 PRESSURE: 3643400 108.756 -159.123 152.05 -159.122 -36.9426 137.658 152.051 137.657 -212.956 GPRESSURE: 3643400 101.094 -180.829 165.607 -161.796 1.38434 104.749 84.7021 100.907 -146.554 PRESSAVG: 3643400 6.08372 -17.3945 -2.74816 -17.3945 -0.514337 27.9559 -2.74824 27.9559 -28.8129 GPRESSAVG: 3643400 4.84252 -17.4248 -3.25368 -19.2118 2.07035 27.4149 -2.56542 29.4382 -29.5608 TIMING: 3643400 CPU: 10583.8, 0.00290214/step Wall: 10583.8, 0.00290214/step, 1.09362 hours remaining, 208.359375 MB of memory in use. ENERGY: 3643400 722.3202 2089.8666 1973.9583 119.2616 -206131.4535 17750.1617 0.0000 0.0000 34237.7807 -149238.1044 299.0071 -183475.8851 -149138.3444 299.1480 -47.0476 -14.6920 558563.5245 -7.7478 -7.5493 PRESSURE: 3643600 82.8783 54.8195 28.2302 54.8193 14.8796 93.041 28.2292 93.0424 -52.9056 GPRESSURE: 3643600 186.058 51.6503 -49.4949 -24.1589 -3.82767 148.693 1.45476 24.3875 -27.3457 PRESSAVG: 3643600 5.66801 0.326226 -3.09365 0.326268 -20.5988 17.6678 -3.0936 17.6679 -8.48373 GPRESSAVG: 3643600 6.13223 1.2407 -2.32063 0.218933 -22.636 18.9371 -3.7129 15.873 -6.03943 TIMING: 3643600 CPU: 10584.4, 0.00291695/step Wall: 10584.4, 0.00291695/step, 1.09904 hours remaining, 208.359375 MB of memory in use. ENERGY: 3643600 782.7634 2078.2848 1984.5193 109.6190 -206634.3183 17943.0578 0.0000 0.0000 34438.4368 -149297.6371 300.7594 -183736.0739 -149212.1853 298.9664 14.9507 51.6283 556334.7117 -7.8048 -7.5144 PRESSURE: 3643800 307.97 -1.53039 168.634 -1.53066 -17.261 40.7171 168.633 40.7163 26.7177 GPRESSURE: 3643800 322.096 -6.37723 181.464 -33.9246 69.6558 90.332 189.875 -17.422 27.3233 PRESSAVG: 3643800 -16.7406 -19.3681 18.0201 -19.3683 -24.1524 -52.8022 18.02 -52.8022 35.5336 GPRESSAVG: 3643800 -16.6202 -19.8665 18.0473 -19.2055 -23.2748 -53.059 18.6888 -53.6938 34.1852 TIMING: 3643800 CPU: 10585, 0.00293396/step Wall: 10585, 0.00293396/step, 1.10529 hours remaining, 208.359375 MB of memory in use. ENERGY: 3643800 713.6413 2100.2769 1956.0500 117.2245 -206686.8795 18044.3708 0.0000 0.0000 34446.1641 -149309.1519 300.8269 -183755.3160 -149211.4128 299.7040 105.8087 139.6918 556033.8633 -1.7864 -1.9032 PRESSURE: 3644000 16.7684 -158.315 -16.2005 -158.315 -320.084 -204.073 -16.2006 -204.073 291.584 GPRESSURE: 3644000 74.4943 -97.3826 -33.7269 -212.071 -254.789 -133.151 -49.1155 -248.74 279.191 PRESSAVG: 3644000 -33.7366 1.8654 7.53634 1.86536 -66.6368 -49.437 7.53635 -49.437 50.9551 GPRESSAVG: 3644000 -33.3624 1.62328 5.34425 3.34716 -67.3915 -49.4194 7.71351 -49.2358 51.8172 TIMING: 3644000 CPU: 10585.6, 0.00290444/step Wall: 10585.6, 0.00290444/step, 1.09401 hours remaining, 208.359375 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: 3644000 725.3950 2130.5664 1979.3078 133.5868 -205955.7129 17664.9434 0.0000 0.0000 34205.4744 -149116.4391 298.7249 -183321.9135 -149020.4397 299.8001 -3.9103 32.9654 556672.8898 -16.4728 -16.3122 PRESSURE: 3644200 148.637 -140.732 75.8011 -140.73 -2.0342 21.9666 75.8021 21.9658 -169.57 GPRESSURE: 3644200 206.395 -54.0555 89.7993 -191.841 -17.3054 0.191197 89.5325 -11.5689 -112.163 PRESSAVG: 3644200 -29.8597 -46.4185 -23.9547 -46.4184 18.3972 -23.9964 -23.9547 -23.9964 7.65262 GPRESSAVG: 3644200 -28.9516 -45.6825 -21.5028 -48.8551 19.136 -24.6396 -24.3403 -22.2081 5.91324 TIMING: 3644200 CPU: 10586.2, 0.00296501/step Wall: 10586.2, 0.00296501/step, 1.11666 hours remaining, 208.359375 MB of memory in use. ENERGY: 3644200 754.3950 2067.5310 1983.0660 120.2517 -206140.5039 17760.9194 0.0000 0.0000 34355.4907 -149098.8501 300.0350 -183454.3408 -149001.2438 300.3972 -7.6558 25.6423 557097.1516 -1.2700 -1.3008 LDB: ============= START OF LOAD BALANCING ============== 10589.6 LDB: ============== END OF LOAD BALANCING =============== 10589.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10589.6 LDB: ============= START OF LOAD BALANCING ============== 10589.9 LDB: Largest compute 4820 load 0.031475 is 26.7% of average load 0.117777 LDB: Average compute 0.001733 is 1.5% of average load 0.117777 LDB: TIME 10589.9 LOAD: AVG 0.117777 MAX 0.184909 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.117 MB LDB: TIME 10589.9 LOAD: AVG 0.117777 MAX 0.184909 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: TIME 10589.9 LOAD: AVG 0.117777 MAX 0.184909 PROXIES: TOTAL 982 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.117 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10589.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10589.9 PRESSURE: 3644400 -66.7592 -60.3314 8.11709 -60.332 -118.077 -50.1934 8.11699 -50.1942 254.399 GPRESSURE: 3644400 -9.6477 -88.0009 98.6478 -70.0007 -102.531 -78.0329 -36.1164 -87.3182 279.821 PRESSAVG: 3644400 1.60116 -7.71922 51.4128 -7.71927 -19.706 -12.7166 51.4128 -12.7166 -48.8811 GPRESSAVG: 3644400 -0.618193 -8.3947 50.689 -4.4555 -19.7023 -13.8009 51.4874 -12.4045 -46.2454 TIMING: 3644400 CPU: 10586.8, 0.00300498/step Wall: 10586.8, 0.00300498/step, 1.13154 hours remaining, 207.980469 MB of memory in use. ENERGY: 3644400 726.0672 2127.5000 1977.0429 112.0741 -205890.8505 17668.1102 0.0000 0.0000 34216.1331 -149063.9231 298.8180 -183280.0561 -148969.0515 299.6365 23.1874 55.8807 558026.2710 -22.3286 -22.1886 PRESSURE: 3644600 -200.086 -17.5436 -145.729 -17.544 -251.787 -51.9044 -145.728 -51.906 -170.521 GPRESSURE: 3644600 -134.068 -93.2592 -150.979 30.1641 -227.17 12.0194 -92.4023 -103.197 -165.549 PRESSAVG: 3644600 35.376 32.319 -14.8574 32.319 20.2586 25.5726 -14.8573 25.5726 -15.6132 GPRESSAVG: 3644600 37.9015 31.4643 -13.8481 32.953 20.1351 26.4346 -14.5455 25.7464 -17.4565 TIMING: 3644600 CPU: 10587.4, 0.00294198/step Wall: 10587.4, 0.00294198/step, 1.10765 hours remaining, 208.183594 MB of memory in use. ENERGY: 3644600 787.6123 2081.7963 1962.3346 114.8204 -206057.9285 17720.5115 0.0000 0.0000 34337.7097 -149053.1437 299.8798 -183390.8533 -148960.0435 299.9819 -207.4645 -175.5957 557680.7830 13.3405 13.5267 PRESSURE: 3644800 -26.3916 7.13771 -115.914 7.13635 -104.965 -12.1179 -115.913 -12.1193 -160.771 GPRESSURE: 3644800 -10.0963 72.4353 -145.654 -21.0106 -74.6572 -5.48739 -150.617 -80.1932 -104.059 PRESSAVG: 3644800 -42.0443 20.2731 14.4132 20.273 5.32163 -24.7193 14.4131 -24.7192 19.7337 GPRESSAVG: 3644800 -44.1775 21.4975 12.0971 17.6888 5.59644 -25.0648 13.5319 -25.616 21.1083 TIMING: 3644800 CPU: 10587.9, 0.0029389/step Wall: 10587.9, 0.0029389/step, 1.10633 hours remaining, 208.183594 MB of memory in use. ENERGY: 3644800 778.6864 2117.8609 1974.0266 109.8709 -205879.9221 17762.8173 0.0000 0.0000 34046.9334 -149089.7266 297.3403 -183136.6599 -148994.7960 298.9398 -97.3758 -62.9374 559046.2585 -5.6630 -5.8243 PRESSURE: 3645000 -137.299 -231.217 -114.819 -231.217 -159.79 15.3097 -114.82 15.3085 -215.938 GPRESSURE: 3645000 -30.6433 -193.839 -121.9 -237.632 -109.104 53.4805 -108.077 -38.4808 -269.499 PRESSAVG: 3645000 21.8621 -31.7888 -53.9338 -31.7889 20.6022 27.93 -53.9338 27.9301 -36.0631 GPRESSAVG: 3645000 22.5884 -32.9399 -53.1659 -30.0926 20.603 26.774 -53.2536 28.4306 -37.014 TIMING: 3645000 CPU: 10588.5, 0.00292243/step Wall: 10588.5, 0.00292243/step, 1.09997 hours remaining, 208.183594 MB of memory in use. ENERGY: 3645000 744.3129 2084.6536 1941.4694 108.0634 -205736.0646 17511.2159 0.0000 0.0000 34510.9495 -148835.3999 301.3927 -183346.3494 -148740.3776 299.9263 -171.0093 -136.4155 558156.9955 2.1337 2.0591 PRESSURE: 3645200 -26.491 -40.3971 -68.2064 -40.396 -98.345 -169.098 -68.2059 -169.098 100.014 GPRESSURE: 3645200 -13.7262 -51.2512 -65.9157 -20.2414 -32.2798 -155.947 -69.1193 -136.099 116.985 PRESSAVG: 3645200 -36.5301 -102.683 -46.6155 -102.683 32.2378 -11.127 -46.6153 -11.127 -1.09843 GPRESSAVG: 3645200 -37.0324 -101.094 -46.0128 -103.761 31.9033 -10.2468 -46.8988 -10.2393 -0.445967 TIMING: 3645200 CPU: 10589.1, 0.00293125/step Wall: 10589.1, 0.00293125/step, 1.10313 hours remaining, 208.183594 MB of memory in use. ENERGY: 3645200 713.2593 2088.2366 1964.1394 108.2278 -205525.7474 17603.8709 0.0000 0.0000 34369.2535 -148678.7598 300.1552 -183048.0133 -148586.0275 300.2623 -8.2740 23.6596 557615.3115 -1.7969 -1.8584 PRESSURE: 3645400 -94.1605 143.943 -26.9554 143.944 -26.006 80.7621 -26.9555 80.7632 -312.909 GPRESSURE: 3645400 -83.8661 222.945 -43.3456 207.233 2.20644 81.869 -73.7236 6.28148 -262.168 PRESSAVG: 3645400 0.51817 -61.1468 -11.9338 -61.1469 30.5477 33.9252 -11.9338 33.9251 -38.1195 GPRESSAVG: 3645400 1.24786 -62.2336 -11.706 -60.817 30.3585 33.4882 -12.2137 35.0802 -38.7135 TIMING: 3645400 CPU: 10589.7, 0.00294174/step Wall: 10589.7, 0.00294174/step, 1.10691 hours remaining, 208.183594 MB of memory in use. ENERGY: 3645400 751.8402 2104.1722 1954.6326 118.6037 -205894.3360 17641.4159 0.0000 0.0000 34465.9916 -148857.6798 301.0001 -183323.6714 -148760.8461 300.9988 -144.3585 -114.6094 557411.5756 -2.3512 -2.3690 PRESSURE: 3645600 -397.858 -3.07407 -171.199 -3.07406 -171.685 106.371 -171.199 106.369 10.3764 GPRESSURE: 3645600 -328.837 17.309 -115.882 -71.6214 -210.576 30.2177 -161.735 205.832 70.7582 PRESSAVG: 3645600 -16.5893 2.48894 2.93504 2.48895 23.4482 8.34723 2.93504 8.34732 -45.5616 GPRESSAVG: 3645600 -17.741 2.79711 1.05474 -0.0930003 24.7438 7.08383 4.2473 7.91526 -45.3496 TIMING: 3645600 CPU: 10590.3, 0.00294042/step Wall: 10590.3, 0.00294042/step, 1.10625 hours remaining, 208.183594 MB of memory in use. ENERGY: 3645600 733.0932 2099.4855 1943.9157 105.3681 -205864.4974 17524.3085 0.0000 0.0000 34458.1302 -149000.1962 300.9314 -183458.3264 -148910.7128 300.3757 -186.3888 -156.2185 557339.0829 -12.9009 -12.7823 PRESSURE: 3645800 -209.011 -15.4819 116.514 -15.4827 -269.823 92.661 116.512 92.66 -161.733 GPRESSURE: 3645800 -172.765 -43.1022 60.7657 -49.6655 -255.503 89.8786 131.706 55.5877 -110.208 PRESSAVG: 3645800 14.2705 34.1145 38.3975 34.1145 -52.42 -11.5064 38.3975 -11.5065 29.5015 GPRESSAVG: 3645800 14.3972 34.4452 38.6612 37.2347 -52.1243 -8.2902 39.3406 -12.6691 29.285 TIMING: 3645800 CPU: 10590.9, 0.00295162/step Wall: 10590.9, 0.00295162/step, 1.1103 hours remaining, 208.183594 MB of memory in use. ENERGY: 3645800 736.0885 2115.0116 1943.7486 119.5828 -205957.7759 17652.8096 0.0000 0.0000 34137.0499 -149253.4850 298.1273 -183390.5349 -149156.0036 298.9395 -213.5221 -179.4921 559536.8164 -2.8827 -2.8140 PRESSURE: 3646000 -266.084 64.0215 11.4279 64.0225 -290.429 26.7685 11.4281 26.7673 -135.24 GPRESSURE: 3646000 -190.625 120.163 70.6733 123.088 -277.314 -8.49646 3.10898 17.5975 -121.436 PRESSAVG: 3646000 18.925 40.0647 30.8719 40.0647 18.7843 13.3348 30.8718 13.3349 -68.8237 GPRESSAVG: 3646000 19.3531 39.9191 33.3356 39.6473 18.2471 11.1208 30.7909 11.9569 -69.0179 TIMING: 3646000 CPU: 10591.5, 0.00296203/step Wall: 10591.5, 0.00296203/step, 1.11405 hours remaining, 208.183594 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: 3646000 758.0243 2122.4941 1968.6777 110.7071 -205857.6422 17502.0806 0.0000 0.0000 34090.2743 -149305.3842 297.7188 -183395.6585 -149206.4440 297.9624 -230.5846 -196.4584 558928.1884 -10.3715 -10.4726 PRESSURE: 3646200 134.663 -115.782 12.7998 -115.782 -153.931 -20.6978 12.7996 -20.6986 -138.288 GPRESSURE: 3646200 144.22 -78.8674 -6.71262 -128.749 -118.959 -32.2204 -70.7405 -19.6778 -84.5069 PRESSAVG: 3646200 40.2344 10.1453 -12.6454 10.1452 -25.5358 51.8541 -12.6453 51.854 -4.89694 GPRESSAVG: 3646200 39.1038 9.81256 -12.7809 10.0426 -24.4267 52.5573 -13.6117 53.264 -4.91869 TIMING: 3646200 CPU: 10592.1, 0.00291986/step Wall: 10592.1, 0.00291986/step, 1.09803 hours remaining, 208.183594 MB of memory in use. ENERGY: 3646200 746.2238 2176.4350 1942.4884 123.5915 -206132.4870 17870.3133 0.0000 0.0000 33938.3994 -149335.0358 296.3925 -183273.4352 -149240.4210 298.4793 -52.5188 -19.7486 557548.2435 3.2672 3.2528 PRESSURE: 3646400 111.298 101.404 -83.8898 101.404 18.7502 -99.694 -83.8891 -99.6917 63.2729 GPRESSURE: 3646400 153.798 70.7183 -99.5083 73.3563 2.04477 -126.658 -57.6506 -158.58 136.087 PRESSAVG: 3646400 39.7997 30.2433 -61.0767 30.2433 -4.68716 -11.48 -61.0767 -11.48 -15.5688 GPRESSAVG: 3646400 42.4529 29.5435 -62.1218 29.8912 -6.16368 -11.2305 -59.4217 -11.4795 -16.7688 TIMING: 3646400 CPU: 10592.6, 0.00290531/step Wall: 10592.6, 0.00290531/step, 1.0924 hours remaining, 208.183594 MB of memory in use. ENERGY: 3646400 741.2678 2130.8431 1943.6159 117.1288 -206056.9963 17842.5764 0.0000 0.0000 34202.1437 -149079.4207 298.6958 -183281.5643 -148984.5469 298.7957 64.4404 97.3097 556188.3534 6.5146 6.5068 PRESSURE: 3646600 -224.022 40.1287 76.3173 40.1294 111.398 -9.26173 76.3164 -9.26096 -208.023 GPRESSURE: 3646600 -183.824 -4.17812 110.509 -20.7408 71.2511 -61.1638 69.4144 55.8356 -113.426 PRESSAVG: 3646600 -32.6819 45.8383 7.81632 45.8382 11.0572 -37.415 7.8163 -37.415 -9.4536 GPRESSAVG: 3646600 -32.4191 45.9373 7.7316 47.62 9.70644 -36.9372 7.74573 -36.5244 -8.11631 TIMING: 3646600 CPU: 10593.2, 0.00290191/step Wall: 10593.2, 0.00290191/step, 1.09096 hours remaining, 208.183594 MB of memory in use. ENERGY: 3646600 757.9718 2106.9063 1971.8383 102.6782 -205869.4006 17549.6682 0.0000 0.0000 34406.0374 -148974.3006 300.4765 -183380.3380 -148881.1796 299.7131 -106.8823 -75.3329 555448.4786 -10.3594 -10.2763 PRESSURE: 3646800 -61.4217 30.795 23.935 30.794 -19.0205 -116.272 23.9361 -116.273 64.775 GPRESSURE: 3646800 -32.184 4.38256 16.222 -10.9418 30.5561 -111.728 73.0356 -159.145 90.1955 PRESSAVG: 3646800 -2.37199 0.145147 21.957 0.14511 -6.19994 -20.8402 21.957 -20.8401 36.6394 GPRESSAVG: 3646800 -3.88286 -0.924747 19.3236 -0.634221 -3.80575 -20.9907 19.6148 -20.3795 35.4886 TIMING: 3646800 CPU: 10593.8, 0.00294103/step Wall: 10593.8, 0.00294103/step, 1.1055 hours remaining, 208.183594 MB of memory in use. ENERGY: 3646800 735.8837 2070.7253 1965.8676 116.1671 -206011.6800 17659.4975 0.0000 0.0000 34529.8654 -148933.6735 301.5579 -183463.5388 -148839.1934 300.2539 -5.2224 29.5225 555303.0922 9.3558 9.2667 PRESSURE: 3647000 -277.476 128.281 -14.8525 128.282 -131.435 -44.6753 -14.8531 -44.6741 128.364 GPRESSURE: 3647000 -241.752 59.2683 -5.51071 169.352 -81.2963 -37.7887 25.6928 -40.161 131.661 PRESSAVG: 3647000 -25.9372 37.9052 44.7943 37.9054 17.606 13.7343 44.7943 13.7343 -7.07608 GPRESSAVG: 3647000 -25.5179 39.6355 47.8183 38.1166 16.2338 13.8261 44.4256 11.307 -5.65711 TIMING: 3647000 CPU: 10594.4, 0.0029376/step Wall: 10594.4, 0.0029376/step, 1.10405 hours remaining, 208.183594 MB of memory in use. ENERGY: 3647000 690.2785 2144.3189 1970.8062 111.0464 -205739.2072 17577.3559 0.0000 0.0000 34361.1562 -148884.2450 300.0845 -183245.4013 -148784.2042 300.4851 -93.5156 -63.7958 557787.0137 -5.1357 -4.9804 PRESSURE: 3647200 183.922 -45.3643 3.27123 -45.3642 -23.3902 112.845 3.27209 112.844 7.40377 GPRESSURE: 3647200 195.43 -29.1147 45.2637 -41.3004 -50.9011 168.456 34.9715 115.245 117.274 PRESSAVG: 3647200 19.8736 1.33647 11.8585 1.33647 16.8324 -24.1903 11.8586 -24.1903 -15.3077 GPRESSAVG: 3647200 19.8498 0.317847 11.2853 2.69691 17.8194 -25.736 12.8796 -23.078 -16.2806 TIMING: 3647200 CPU: 10595, 0.00291402/step Wall: 10595, 0.00291402/step, 1.09502 hours remaining, 208.183594 MB of memory in use. ENERGY: 3647200 722.1445 2125.1841 1963.9994 115.9970 -205958.8151 17769.9500 0.0000 0.0000 34392.6161 -148868.9239 300.3593 -183261.5400 -148770.5382 300.7434 55.9786 87.2675 558468.0437 7.1328 7.1295 PRESSURE: 3647400 -459.886 -19.1187 -34.9984 -19.1193 -16.9787 -129.531 -34.9975 -129.532 -186.103 GPRESSURE: 3647400 -414.398 6.02081 17.6594 -85.5875 35.1916 -109.606 -91.1112 -101.099 -182.409 PRESSAVG: 3647400 -42.0809 -17.6121 -16.6845 -17.6121 32.0485 -10.5662 -16.6845 -10.5661 -5.87497 GPRESSAVG: 3647400 -41.8704 -16.5643 -16.6384 -19.6685 31.5422 -10.1557 -17.0189 -9.37362 -5.42924 TIMING: 3647400 CPU: 10595.6, 0.00294296/step Wall: 10595.6, 0.00294296/step, 1.10573 hours remaining, 208.183594 MB of memory in use. ENERGY: 3647400 764.2255 2123.6265 1952.0288 121.8546 -205680.8189 17186.2493 0.0000 0.0000 34481.6931 -149051.1411 301.1372 -183532.8342 -148951.9908 300.1625 -220.9892 -187.2053 557299.0186 -5.3025 -5.2525 PRESSURE: 3647600 -17.2037 -191.911 -89.0231 -191.911 -85.9911 12.8946 -89.0255 12.893 -217.488 GPRESSURE: 3647600 9.94992 -241.237 -66.0236 -165.531 -120.052 42.2644 -98.9264 -47.8944 -95.409 PRESSAVG: 3647600 -7.0724 -11.5705 19.0787 -11.5704 -5.5246 -27.8672 19.0786 -27.8671 48.5554 GPRESSAVG: 3647600 -5.96223 -11.9949 18.9154 -12.5477 -6.2543 -25.9544 19.5574 -28.7669 48.0352 TIMING: 3647600 CPU: 10596.2, 0.00290114/step Wall: 10596.2, 0.00290114/step, 1.08986 hours remaining, 208.183594 MB of memory in use. ENERGY: 3647600 728.5365 2147.1097 1921.8473 106.8764 -205629.1087 17529.8872 0.0000 0.0000 34387.6725 -148807.1791 300.3161 -183194.8516 -148714.8734 300.4433 -106.8943 -68.5036 558979.8217 11.9861 11.9396 PRESSURE: 3647800 -283.795 69.7321 64.36 69.7332 -232.438 33.1959 64.3596 33.1956 246.636 GPRESSURE: 3647800 -228.711 45.9344 18.0777 75.9614 -113.618 -69.4961 90.6129 32.987 167.395 PRESSAVG: 3647800 -52.2913 -3.17607 48.5487 -3.17614 3.289 -13.5291 48.5487 -13.5291 82.4629 GPRESSAVG: 3647800 -52.8945 -3.16272 50.3077 -3.11348 4.59309 -15.0771 46.8846 -13.7051 81.9518 TIMING: 3647800 CPU: 10596.7, 0.00295648/step Wall: 10596.7, 0.00295648/step, 1.11049 hours remaining, 208.183594 MB of memory in use. ENERGY: 3647800 745.7501 2099.0391 1977.7389 114.7622 -205520.5490 17600.0856 0.0000 0.0000 34282.4631 -148700.7100 299.3973 -182983.1731 -148601.4992 299.8350 -89.8657 -58.3111 558193.4864 11.1535 11.2168 PRESSURE: 3648000 -147.444 -36.0219 15.8799 -36.0215 -211.971 57.48 15.8798 57.4793 -125.981 GPRESSURE: 3648000 -128.954 -36.6488 86.9363 -36.7597 -130.71 2.91895 41.5134 136.263 -126.83 PRESSAVG: 3648000 -91.5803 -2.94361 45.9528 -2.94362 39.0152 10.7118 45.9528 10.7118 21.7493 GPRESSAVG: 3648000 -91.7161 -3.24454 44.0044 -1.58672 38.9898 10.5569 48.5404 11.5061 21.7573 TIMING: 3648000 CPU: 10597.3, 0.0029301/step Wall: 10597.3, 0.0029301/step, 1.10041 hours remaining, 208.183594 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: 3648000 756.6796 2123.5662 1965.2584 112.6412 -205500.8158 17534.4109 0.0000 0.0000 34363.0883 -148645.1711 300.1014 -183008.2595 -148546.4911 300.2932 -161.7983 -128.8315 560411.9869 -10.2720 -10.3230 PRESSURE: 3648200 -191.411 -187.404 -69.2152 -187.404 -132.931 4.03805 -69.215 4.03968 -93.4572 GPRESSURE: 3648200 -187.213 -192.204 -43.5904 -155.729 -47.5773 19.7801 -131.707 86.1748 -80.9712 PRESSAVG: 3648200 -28.7561 21.7024 15.1726 21.7024 -24.6403 36.9045 15.1726 36.9044 36.6178 GPRESSAVG: 3648200 -28.982 21.7326 15.0731 20.9724 -25.1609 37.4478 14.052 36.7635 37.0572 TIMING: 3648200 CPU: 10597.9, 0.00293911/step Wall: 10597.9, 0.00293911/step, 1.10363 hours remaining, 208.183594 MB of memory in use. ENERGY: 3648200 736.3563 2160.5815 1957.8134 127.7660 -205742.9858 17811.0531 0.0000 0.0000 34258.3094 -148691.1061 299.1863 -182949.4155 -148588.9254 300.6220 -139.2664 -105.2539 559072.6606 -5.5929 -5.6952 LDB: ============= START OF LOAD BALANCING ============== 10601.4 LDB: ============== END OF LOAD BALANCING =============== 10601.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10601.4 LDB: ============= START OF LOAD BALANCING ============== 10601.7 LDB: Largest compute 4848 load 0.029050 is 24.6% of average load 0.117876 LDB: Average compute 0.001724 is 1.5% of average load 0.117876 LDB: TIME 10601.7 LOAD: AVG 0.117876 MAX 0.187068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.223 MB LDB: TIME 10601.7 LOAD: AVG 0.117876 MAX 0.187068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: TIME 10601.7 LOAD: AVG 0.117876 MAX 0.187068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10601.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10601.7 PRESSURE: 3648400 271.127 33.7732 45.5885 33.7734 -372.512 -28.8788 45.5896 -28.8773 34.4012 GPRESSURE: 3648400 320.027 -16.1411 -27.9612 41.1795 -344.652 -71.2966 32.9221 11.9226 51.4309 PRESSAVG: 3648400 19.4359 20.0277 -11.0504 20.0277 -24.1918 -11.5167 -11.0503 -11.5167 1.25789 GPRESSAVG: 3648400 18.7132 20.5208 -10.4582 19.8056 -24.7237 -13.5136 -12.0164 -10.8108 2.25191 TIMING: 3648400 CPU: 10598.5, 0.00298938/step Wall: 10598.5, 0.00298938/step, 1.12235 hours remaining, 207.617188 MB of memory in use. ENERGY: 3648400 800.6131 2155.5772 1982.9044 119.7831 -205854.3485 17793.6127 0.0000 0.0000 34336.6107 -148665.2472 299.8702 -183001.8580 -148569.5985 300.0087 -22.3281 8.9355 558956.1048 -1.1660 -1.2529 PRESSURE: 3648600 71.5183 -16.4447 -22.5429 -16.4426 38.4598 28.5833 -22.5417 28.5834 -39.3251 GPRESSURE: 3648600 87.9931 3.70497 51.2577 61.0375 95.3957 -4.62372 -2.30513 55.6849 -7.85334 PRESSAVG: 3648600 -56.3089 -24.4251 17.448 -24.4251 4.65194 -27.5443 17.4481 -27.5443 33.2217 GPRESSAVG: 3648600 -55.7773 -24.1797 17.9231 -24.567 4.97083 -25.7243 17.2433 -27.0482 32.3706 TIMING: 3648600 CPU: 10599.1, 0.00293455/step Wall: 10599.1, 0.00293455/step, 1.1016 hours remaining, 207.945312 MB of memory in use. ENERGY: 3648600 727.1422 2146.3029 1969.8989 123.9259 -205711.3846 17679.9108 0.0000 0.0000 34361.5396 -148702.6644 300.0879 -183064.2040 -148603.4030 300.2081 23.5510 58.5118 558631.0380 -6.1451 -6.1453 PRESSURE: 3648800 -57.8085 -34.5352 53.1437 -34.5342 -98.992 120.99 53.1425 120.988 -287.444 GPRESSURE: 3648800 -39.8355 -5.97163 113.171 -59.2637 -62.7754 133.572 57.038 102.066 -243.407 PRESSAVG: 3648800 -53.3728 1.82443 42.1148 1.82449 15.8704 57.4343 42.1146 57.4343 10.0524 GPRESSAVG: 3648800 -53.3434 1.62762 43.2748 1.12179 15.6091 55.8866 43.6986 56.313 10.2189 TIMING: 3648800 CPU: 10599.7, 0.00293884/step Wall: 10599.7, 0.00293884/step, 1.10304 hours remaining, 207.945312 MB of memory in use. ENERGY: 3648800 747.9969 2104.4650 2005.8233 115.8063 -205565.2665 17526.3987 0.0000 0.0000 34220.5003 -148844.2759 298.8561 -183064.7762 -148746.5078 300.1272 -148.0817 -115.3394 558150.6256 -9.1500 -9.1718 PRESSURE: 3649000 95.2456 28.8797 29.9303 28.8799 27.0505 14.233 29.9293 14.2336 -349.386 GPRESSURE: 3649000 126.872 48.1704 66.8782 -6.8138 79.6847 46.8891 45.867 -17.3448 -350.53 PRESSAVG: 3649000 -14.991 16.8587 3.77739 16.8588 14.3013 8.46642 3.77739 8.46645 -3.71415 GPRESSAVG: 3649000 -14.9049 16.0933 3.6595 17.8229 13.4606 10.2163 2.24225 7.66982 -3.60278 TIMING: 3649000 CPU: 10600.3, 0.00291705/step Wall: 10600.3, 0.00291705/step, 1.0947 hours remaining, 207.945312 MB of memory in use. ENERGY: 3649000 782.4136 2127.8592 1970.2246 116.7844 -206083.7057 17863.7198 0.0000 0.0000 34349.6588 -148873.0452 299.9841 -183222.7040 -148784.3459 300.6911 -75.6967 -47.9912 557754.6084 -1.4679 -1.6823 PRESSURE: 3649200 141.825 -15.2213 150.63 -15.2212 41.1225 -211.027 150.628 -211.027 160.205 GPRESSURE: 3649200 168.704 -83.6597 180.238 27.72 61.5057 -263.136 104.341 -166.825 206.617 PRESSAVG: 3649200 58.4783 -53.6861 -16.8753 -53.6861 -74.7098 0.553208 -16.8752 0.553161 18.6055 GPRESSAVG: 3649200 58.974 -52.2495 -17.6812 -54.0685 -73.0939 0.481184 -16.8629 3.59672 16.9846 TIMING: 3649200 CPU: 10600.9, 0.0029265/step Wall: 10600.9, 0.0029265/step, 1.09809 hours remaining, 207.945312 MB of memory in use. ENERGY: 3649200 752.8772 2125.8256 1943.1181 109.9382 -206051.5850 17900.5437 0.0000 0.0000 34442.8254 -148776.4569 300.7978 -183219.2822 -148678.8093 300.3534 114.3841 145.6091 557296.8556 0.7913 0.9549 PRESSURE: 3649400 -63.1169 -13.5096 -57.4813 -13.5088 -269.163 131.719 -57.4818 131.718 -320.233 GPRESSURE: 3649400 -97.5052 8.83334 18.7041 29.4536 -219.297 198.838 -93.8574 8.89941 -248.948 PRESSAVG: 3649400 -23.6765 -10.9003 34.7316 -10.9003 -8.86117 28.4492 34.7315 28.4493 46.9433 GPRESSAVG: 3649400 -24.2688 -11.4045 34.8208 -9.83222 -8.4774 28.9565 34.3722 27.9288 47.3642 TIMING: 3649400 CPU: 10601.4, 0.00290658/step Wall: 10601.4, 0.00290658/step, 1.09045 hours remaining, 208.015625 MB of memory in use. ENERGY: 3649400 781.5073 2096.9467 1962.1166 109.1991 -205759.8926 17595.7378 0.0000 0.0000 34292.4183 -148921.9665 299.4842 -183214.3849 -148824.9653 300.2829 -217.5044 -188.5834 558336.3725 4.8019 4.8727 PRESSURE: 3649600 47.4994 104.152 126.226 104.151 38.4911 -67.7348 126.226 -67.7347 -62.7903 GPRESSURE: 3649600 30.143 6.37141 124.49 167.371 20.9807 -119.216 45.3556 44.2321 55.7514 PRESSAVG: 3649600 -13.6837 22.904 -22.0873 22.904 -1.30177 -20.358 -22.0873 -20.3581 -18.627 GPRESSAVG: 3649600 -13.6365 22.9374 -23.5677 20.8943 -1.96317 -19.5464 -19.703 -22.7813 -17.8274 TIMING: 3649600 CPU: 10602, 0.00291732/step Wall: 10602, 0.00291732/step, 1.09432 hours remaining, 208.015625 MB of memory in use. ENERGY: 3649600 769.7202 2096.8804 1974.8548 105.7023 -205712.5697 17661.7482 0.0000 0.0000 34375.2638 -148728.3999 300.2077 -183103.6637 -148636.5951 300.2336 7.7334 35.6250 556931.4945 -11.2042 -11.1424 PRESSURE: 3649800 67.6648 -115.799 51.9425 -115.799 -23.3774 -162.318 51.9426 -162.321 -30.2163 GPRESSURE: 3649800 109.535 -102.893 97.6033 -55.1487 27.8407 -152.702 -28.6589 -148.896 -29.3412 PRESSAVG: 3649800 98.0718 25.8225 24.7058 25.8226 12.0715 -26.1444 24.7059 -26.1444 -63.5311 GPRESSAVG: 3649800 98.8786 25.1708 24.2582 27.3205 11.9939 -25.7881 24.0436 -25.6184 -64.2893 TIMING: 3649800 CPU: 10602.6, 0.00290589/step Wall: 10602.6, 0.00290589/step, 1.08987 hours remaining, 208.015625 MB of memory in use. ENERGY: 3649800 725.6865 2134.7132 1958.9697 117.5748 -206004.0620 17760.1402 0.0000 0.0000 34407.3705 -148899.6072 300.4881 -183306.9776 -148803.3808 300.4060 4.6904 36.0114 556251.1685 15.5374 15.5277 PRESSURE: 3650000 169.033 -19.3761 87.4964 -19.3764 -16.0122 -98.0797 87.4962 -98.0783 195.04 GPRESSURE: 3650000 223.906 -44.7613 60.6121 0.495958 27.847 -66.9562 -39.8765 -146.578 195.989 PRESSAVG: 3650000 22.4734 -33.0451 -5.73914 -33.0451 51.9936 -14.3067 -5.73922 -14.3067 -18.4275 GPRESSAVG: 3650000 21.1615 -32.7117 -5.08504 -34.2322 52.4369 -16.5496 -5.55311 -14.1636 -17.5443 TIMING: 3650000 CPU: 10603.2, 0.00292295/step Wall: 10603.2, 0.00292295/step, 1.09611 hours remaining, 208.015625 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: 3650000 734.5335 2113.9590 1944.4636 103.4941 -206309.7641 18016.3171 0.0000 0.0000 34516.6963 -148880.3006 301.4429 -183396.9968 -148781.8596 300.7208 116.0205 149.2474 558492.3282 18.6798 18.6847 PRESSURE: 3650200 -128.86 102.159 46.1492 102.159 201.018 -1.97721 46.151 -1.9766 -190.163 GPRESSURE: 3650200 -94.0713 100.633 54.2538 153.504 262.411 100.702 77.1934 12.2625 -192.141 PRESSAVG: 3650200 -19.4402 11.935 12.4224 11.935 -8.33772 -8.2256 12.4224 -8.22569 0.769614 GPRESSAVG: 3650200 -17.7989 10.9174 14.7083 12.8639 -8.59018 -9.13188 11.6614 -8.68269 -0.97072 TIMING: 3650200 CPU: 10603.8, 0.00293079/step Wall: 10603.8, 0.00293079/step, 1.09888 hours remaining, 208.015625 MB of memory in use. ENERGY: 3650200 758.6557 2108.8502 1967.3136 109.9983 -206149.3532 17796.7592 0.0000 0.0000 34505.0617 -148902.7144 301.3413 -183407.7761 -148814.4559 299.7398 -39.3349 -7.9338 557832.1947 -9.0028 -9.1199 PRESSURE: 3650400 121.889 73.8865 -165.911 73.8874 233.292 -67.3537 -165.913 -67.3543 30.6649 GPRESSURE: 3650400 212.663 137.435 -155.243 11.7926 165.323 75.3402 -162.464 -92.7802 108.103 PRESSAVG: 3650400 -41.2155 31.031 -0.242639 31.031 15.8423 18.3127 -0.242639 18.3127 5.02174 GPRESSAVG: 3650400 -41.5992 33.3031 -3.99584 31.2236 14.9772 20.521 1.76029 18.7152 5.86364 TIMING: 3650400 CPU: 10604.4, 0.00290943/step Wall: 10604.4, 0.00290943/step, 1.09071 hours remaining, 208.015625 MB of memory in use. ENERGY: 3650400 757.0391 2081.7205 1929.3192 121.8590 -206321.8486 18139.6680 0.0000 0.0000 34420.0697 -148872.1732 300.5990 -183292.2428 -148775.2569 299.7529 128.6153 162.0294 558563.8448 -6.7838 -6.9195 PRESSURE: 3650600 -320.932 -115.197 16.7188 -115.197 128.744 -68.7042 16.7174 -68.7049 45.7422 GPRESSURE: 3650600 -258.548 -108.284 25.1934 -75.2242 122.724 -139.539 -38.9345 -15.0497 80.7058 PRESSAVG: 3650600 -36.7493 16.167 -53.2334 16.1669 18.2359 15.9238 -53.2334 15.9237 -3.91814 GPRESSAVG: 3650600 -37.9734 15.6208 -49.4463 16.6691 18.6654 14.3078 -55.6827 15.3563 -3.46683 TIMING: 3650600 CPU: 10604.9, 0.00290645/step Wall: 10604.9, 0.00290645/step, 1.08943 hours remaining, 208.015625 MB of memory in use. ENERGY: 3650600 752.7555 2060.3455 1952.2355 115.9733 -206193.6710 17776.3957 0.0000 0.0000 34564.8256 -148971.1397 301.8632 -183535.9654 -148874.6787 299.5840 -48.8154 -18.3727 558577.7809 -7.4772 -7.5916 PRESSURE: 3650800 -194.569 37.385 79.129 37.3849 -117.627 -73.7942 79.1272 -73.7932 -247.138 GPRESSURE: 3650800 -191.427 -57.3819 149.481 69.265 -66.1487 18.8327 57.9165 -47.8641 -210.347 PRESSAVG: 3650800 39.0121 32.4771 -10.4025 32.4771 -0.0329302 -8.05207 -10.4026 -8.05218 -18.3677 GPRESSAVG: 3650800 39.4457 31.1467 -12.6103 32.3899 -0.708586 -6.334 -9.71636 -6.94528 -18.5135 TIMING: 3650800 CPU: 10605.5, 0.0028943/step Wall: 10605.5, 0.0028943/step, 1.08472 hours remaining, 208.015625 MB of memory in use. ENERGY: 3650800 755.6004 2081.5747 1976.2757 101.5193 -205412.6457 17418.7993 0.0000 0.0000 34240.0725 -148838.8038 299.0271 -183078.8764 -148735.8214 300.1304 -186.4445 -155.9744 559336.9665 6.8705 6.7412 PRESSURE: 3651000 -21.7329 -93.6874 230.072 -93.6869 -89.8966 -49.7695 230.072 -49.7682 -159.862 GPRESSURE: 3651000 8.91342 -1.64886 185.174 -111.746 -49.2648 -42.7562 352.518 -26.8511 -129.329 PRESSAVG: 3651000 9.75493 36.2429 -2.2444 36.243 57.0423 10.9705 -2.24443 10.9705 -57.551 GPRESSAVG: 3651000 11.7554 38.1421 -2.74998 35.8666 56.929 10.0143 -1.61469 9.15285 -59.004 TIMING: 3651000 CPU: 10606.1, 0.00292179/step Wall: 10606.1, 0.00292179/step, 1.09486 hours remaining, 208.015625 MB of memory in use. ENERGY: 3651000 756.1864 2055.4475 1965.4162 118.0716 -205636.4783 17567.5373 0.0000 0.0000 34295.2175 -148878.6018 299.5087 -183173.8193 -148779.1997 300.0057 -90.4972 -56.5600 557643.7055 3.0821 3.2268 PRESSURE: 3651200 -212.756 -41.5148 128.707 -41.514 -303.14 -75.325 128.706 -75.3253 -540.234 GPRESSURE: 3651200 -223.761 38.0883 116.395 -50.0695 -284.973 73.2687 76.4317 -113.441 -450.486 PRESSAVG: 3651200 -5.99853 -29.5798 8.10986 -29.5799 52.6856 6.61522 8.10978 6.61499 18.2419 GPRESSAVG: 3651200 -7.69016 -31.4534 9.46708 -28.13 54.4831 6.29818 7.35372 8.59922 17.7058 TIMING: 3651200 CPU: 10606.7, 0.00294507/step Wall: 10606.7, 0.00294507/step, 1.10342 hours remaining, 208.015625 MB of memory in use. ENERGY: 3651200 753.9948 2136.2371 1988.9438 103.2562 -205944.6825 17570.5629 0.0000 0.0000 34434.8410 -148956.8467 300.7280 -183391.6877 -148856.8676 300.0503 -352.0435 -319.7398 560093.4729 21.6430 21.4996 PRESSURE: 3651400 104.527 -128.09 60.6118 -128.089 134.089 49.0325 60.6127 49.0319 110.684 GPRESSURE: 3651400 157.949 -54.7355 125.729 -175.851 175.693 52.0313 -18.3538 68.6405 127.591 PRESSAVG: 3651400 -30.3787 43.9862 7.64441 43.9862 -40.5332 35.587 7.64443 35.587 29.235 GPRESSAVG: 3651400 -29.8011 44.0913 7.40141 42.808 -42.1685 35.9177 7.48111 35.4065 30.2495 TIMING: 3651400 CPU: 10607.3, 0.00292179/step Wall: 10607.3, 0.00292179/step, 1.09454 hours remaining, 208.015625 MB of memory in use. ENERGY: 3651400 745.1631 2077.4205 1956.3295 116.6750 -206346.0447 18041.8148 0.0000 0.0000 34231.1607 -149177.4812 298.9492 -183408.6418 -149079.0883 299.5075 116.4334 153.7440 557960.0903 -13.8923 -13.9067 PRESSURE: 3651600 -293.679 32.6578 -74.2721 32.6571 -251.02 -78.3203 -74.2721 -78.3218 -123.364 GPRESSURE: 3651600 -230.665 -37.3096 -78.1639 72.7728 -197.774 -27.6009 -79.0917 -171.194 -142.736 PRESSAVG: 3651600 22.2814 39.7859 18.4275 39.7859 -23.6365 -4.59326 18.4275 -4.5933 4.15407 GPRESSAVG: 3651600 22.5388 37.2378 16.7594 41.5406 -21.8642 -5.17582 18.9692 -5.95555 2.36033 TIMING: 3651600 CPU: 10607.9, 0.00291538/step Wall: 10607.9, 0.00291538/step, 1.09197 hours remaining, 208.257812 MB of memory in use. ENERGY: 3651600 754.7404 2104.6472 1978.2897 118.9640 -205834.6288 17629.8458 0.0000 0.0000 34067.1778 -149180.9639 297.5171 -183248.1417 -149076.6378 299.2961 -222.6878 -190.3918 559686.8253 0.9330 1.0117 PRESSURE: 3651800 -203.791 -59.6463 117.45 -59.6478 -276.407 84.0951 117.45 84.0946 -89.4527 GPRESSURE: 3651800 -194.659 -74.6733 165.241 -17.905 -194.205 72.1765 153.73 63.1506 -82.5372 PRESSAVG: 3651800 -2.05832 6.30363 -48.1685 6.30367 -30.3968 -18.9001 -48.1685 -18.9001 -17.522 GPRESSAVG: 3651800 -3.15567 9.69652 -47.5659 3.49601 -31.9795 -18.3102 -47.8 -18.4426 -15.0014 TIMING: 3651800 CPU: 10608.4, 0.00290989/step Wall: 10608.4, 0.00290989/step, 1.08975 hours remaining, 208.257812 MB of memory in use. ENERGY: 3651800 718.8663 2086.2062 1973.2031 110.0776 -205591.0666 17664.6845 0.0000 0.0000 34049.7025 -148988.3263 297.3645 -183038.0288 -148887.4716 299.0703 -189.8835 -157.1339 560132.8462 -16.6591 -16.7122 PRESSURE: 3652000 -133.771 47.6509 -12.748 47.6515 -384.435 -50.2016 -12.7487 -50.2006 -291.685 GPRESSURE: 3652000 -132.529 87.5187 25.2115 69.9422 -345.231 -73.3429 -65.4308 -71.3524 -224.399 PRESSAVG: 3652000 37.1403 1.57182 -67.8494 1.5718 -81.2471 34.0838 -67.8494 34.0839 -3.96692 GPRESSAVG: 3652000 38.0534 0.0564611 -68.1746 3.18293 -81.958 34.7285 -68.6726 34.0291 -4.31642 TIMING: 3652000 CPU: 10609, 0.0029066/step Wall: 10609, 0.0029066/step, 1.08836 hours remaining, 208.257812 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: 3652000 749.8158 2131.2690 1961.1652 116.3314 -205581.7978 17330.9182 0.0000 0.0000 34313.8964 -148978.4020 299.6718 -183292.2983 -148881.6420 299.7092 -269.9639 -234.0529 559359.8054 -16.0245 -16.0737 PRESSURE: 3652200 175.92 -5.68874 -58.6698 -5.68824 12.0959 -126.949 -58.6708 -126.95 -5.99606 GPRESSURE: 3652200 185.46 -52.4358 -100.861 1.21341 64.9443 -86.9474 -30.3966 -115.636 39.315 PRESSAVG: 3652200 69.3101 31.3176 -2.85027 31.3176 -41.346 28.7586 -2.85039 28.7586 -12.0144 GPRESSAVG: 3652200 68.9544 31.5225 -2.51583 29.8165 -40.6475 27.4885 -3.92909 30.0612 -12.8423 TIMING: 3652200 CPU: 10609.6, 0.00292489/step Wall: 10609.6, 0.00292489/step, 1.09504 hours remaining, 208.257812 MB of memory in use. ENERGY: 3652200 723.9021 2096.6508 2000.3839 104.2221 -206193.7969 17935.7293 0.0000 0.0000 34240.1086 -149092.8001 299.0274 -183332.9087 -148997.5594 299.5944 60.6734 96.5732 558671.4111 5.3166 5.1549 LDB: ============= START OF LOAD BALANCING ============== 10613.1 LDB: ============== END OF LOAD BALANCING =============== 10613.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10613.1 LDB: ============= START OF LOAD BALANCING ============== 10613.4 LDB: Largest compute 4820 load 0.031041 is 26.3% of average load 0.117816 LDB: Average compute 0.001718 is 1.5% of average load 0.117816 LDB: TIME 10613.4 LOAD: AVG 0.117816 MAX 0.186541 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 10613.4 LOAD: AVG 0.117816 MAX 0.186541 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.312 MB LDB: TIME 10613.4 LOAD: AVG 0.117816 MAX 0.186541 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10613.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10613.4 PRESSURE: 3652400 -129.079 144.525 -132.997 144.526 -148.169 27.3226 -132.997 27.3242 -225.505 GPRESSURE: 3652400 -51.412 135.11 -112.561 123.938 -160.646 21.0847 -140.551 70.4685 -190.266 PRESSAVG: 3652400 -14.9369 19.8444 46.2896 19.8443 -15.929 -2.93157 46.2896 -2.93155 34.8763 GPRESSAVG: 3652400 -14.9991 21.4427 45.2274 20.5649 -16.3076 -3.28737 47.1339 -4.44554 35.812 TIMING: 3652400 CPU: 10610.2, 0.00298777/step Wall: 10610.2, 0.00298777/step, 1.11842 hours remaining, 206.644531 MB of memory in use. ENERGY: 3652400 747.8372 2098.4565 1967.1283 105.5884 -205943.1408 17637.0769 0.0000 0.0000 34376.0781 -149010.9754 300.2148 -183387.0535 -148908.3523 300.1167 -167.5840 -134.1079 559223.2096 1.3368 1.5018 PRESSURE: 3652600 -353.668 56.6973 -28.4545 56.6963 -157.893 -149.644 -28.4544 -149.644 -31.336 GPRESSURE: 3652600 -279.606 33.3988 -4.58679 87.4659 -150.111 -154.792 -22.3942 -156.467 -12.2989 PRESSAVG: 3652600 8.11581 49.7621 26.6422 49.7621 6.54064 -43.8395 26.6422 -43.8396 -6.23786 GPRESSAVG: 3652600 8.61928 49.1189 28.4842 50.8337 7.23616 -43.7658 26.2995 -43.671 -7.1878 TIMING: 3652600 CPU: 10610.8, 0.00291994/step Wall: 10610.8, 0.00291994/step, 1.09287 hours remaining, 206.644531 MB of memory in use. ENERGY: 3652600 743.9241 2072.6979 1958.3359 118.6333 -205744.3051 17678.9156 0.0000 0.0000 34212.6816 -148959.1168 298.7879 -183171.7984 -148857.6631 299.9866 -180.9656 -147.3388 559668.8082 2.8062 2.8892 PRESSURE: 3652800 -330.95 14.04 -27.1671 14.0406 -67.3863 12.0194 -27.1664 12.0206 -13.1698 GPRESSURE: 3652800 -250.941 -42.3355 24.4705 92.6615 -9.54851 38.4831 -81.3846 -95.5352 -41.9273 PRESSAVG: 3652800 -8.88272 -5.88139 34.4814 -5.88141 18.4044 -31.7795 34.4813 -31.7794 -2.15588 GPRESSAVG: 3652800 -9.71814 -5.77035 33.1988 -7.53025 18.1597 -29.7926 34.2795 -32.5685 -0.725097 TIMING: 3652800 CPU: 10611.4, 0.00292845/step Wall: 10611.4, 0.00292845/step, 1.09589 hours remaining, 206.945312 MB of memory in use. ENERGY: 3652800 706.5920 2089.0170 1933.8999 116.2854 -205657.3082 17447.4791 0.0000 0.0000 34470.6211 -148893.4135 301.0405 -183364.0347 -148791.9755 299.9595 -137.1685 -100.8057 559202.3261 2.4553 2.5722 PRESSURE: 3653000 -131.293 -41.0564 -39.8566 -41.0556 -129.301 -47.7761 -39.8561 -47.7767 4.70335 GPRESSURE: 3653000 -84.7612 -119.626 -33.607 21.8864 -133.93 -83.0279 -79.6906 -48.9421 55.3412 PRESSAVG: 3653000 -99.6016 -5.77361 20.8211 -5.77357 45.4898 -8.89918 20.8211 -8.89906 11.829 GPRESSAVG: 3653000 -99.014 -4.54084 21.1506 -5.46115 45.3052 -8.51441 21.0388 -8.6216 11.4777 TIMING: 3653000 CPU: 10612, 0.00288963/step Wall: 10612, 0.00288963/step, 1.0812 hours remaining, 206.945312 MB of memory in use. ENERGY: 3653000 744.7589 2104.5768 1930.8845 91.5713 -205884.5438 17800.5047 0.0000 0.0000 34590.3707 -148621.8770 302.0863 -183212.2477 -148521.8127 300.2466 -85.2969 -54.4499 560266.8263 -14.0943 -14.0770 PRESSURE: 3653200 -277.215 72.6623 53.5636 72.6627 42.2007 18.8429 53.5632 18.8427 43.7854 GPRESSURE: 3653200 -171.251 95.6091 35.3143 46.6649 46.123 -48.3401 -43.4928 90.075 31.3511 PRESSAVG: 3653200 -46.9793 14.6927 -34.7099 14.6927 4.98807 -21.5665 -34.7099 -21.5664 48.7509 GPRESSAVG: 3653200 -46.4342 12.5856 -35.5739 15.2453 3.95468 -24.9533 -33.3794 -19.3623 49.4879 TIMING: 3653200 CPU: 10612.5, 0.0029044/step Wall: 10612.5, 0.0029044/step, 1.08657 hours remaining, 206.945312 MB of memory in use. ENERGY: 3653200 773.5161 2140.8763 1974.8489 123.0346 -205654.4127 17749.1895 0.0000 0.0000 34387.7017 -148505.2455 300.3164 -182892.9472 -148410.0911 301.3257 -63.7429 -31.2588 559419.0534 2.2532 2.3361 PRESSURE: 3653400 -53.3732 4.48713 16.5855 4.48842 255.255 4.6849 16.5845 4.68586 177.034 GPRESSURE: 3653400 42.1278 30.5888 6.25492 1.04089 262.599 -16.6972 -35.0789 -74.8374 175.482 PRESSAVG: 3653400 -45.107 15.5908 -8.49159 15.5907 -20.9598 33.7882 -8.49142 33.7882 49.7757 GPRESSAVG: 3653400 -45.1439 16.6394 -7.67243 14.0863 -20.688 34.9518 -10.6153 30.4578 49.8624 TIMING: 3653400 CPU: 10613.1, 0.00293702/step Wall: 10613.1, 0.00293702/step, 1.09861 hours remaining, 206.945312 MB of memory in use. ENERGY: 3653400 768.2724 2182.7703 1946.9132 112.9995 -206040.7364 18014.8134 0.0000 0.0000 34509.1872 -148505.7804 301.3773 -183014.9676 -148403.2541 300.8092 126.3053 160.0694 558097.7337 -5.4304 -5.3231 PRESSURE: 3653600 -323.001 40.1303 139.355 40.1306 -65.3231 113.976 139.355 113.977 -234.943 GPRESSURE: 3653600 -303.944 9.06536 177.53 56.3136 -29.691 127.057 53.55 84.2 -192.166 PRESSAVG: 3653600 15.5501 25.2276 -47.7128 25.2276 13.1229 -15.7152 -47.7128 -15.7151 -9.441 GPRESSAVG: 3653600 15.6375 22.9312 -46.8527 26.5366 13.0956 -14.9806 -45.841 -14.8873 -9.31053 TIMING: 3653600 CPU: 10613.7, 0.00291534/step Wall: 10613.7, 0.00291534/step, 1.09034 hours remaining, 206.945312 MB of memory in use. ENERGY: 3653600 758.8063 2128.3461 1933.3900 126.5920 -205629.0511 17488.2756 0.0000 0.0000 34383.8040 -148809.8371 300.2823 -183193.6411 -148712.9219 300.5413 -207.7554 -175.2671 557508.9952 6.4107 6.4742 PRESSURE: 3653800 52.6889 -158.724 61.3964 -158.722 -104.344 -184.59 61.3963 -184.589 -17.4145 GPRESSURE: 3653800 87.7305 -167.787 67.9823 -135.979 -50.2695 -182.231 107.745 -173.98 -2.11517 PRESSAVG: 3653800 -14.9122 -0.303111 57.4034 -0.303104 11.8765 -1.45569 57.4033 -1.45575 60.8781 GPRESSAVG: 3653800 -14.3681 1.65271 56.5342 -1.41828 11.6316 -0.437776 55.6733 -1.96596 60.0215 TIMING: 3653800 CPU: 10614.3, 0.00291006/step Wall: 10614.3, 0.00291006/step, 1.0882 hours remaining, 206.945312 MB of memory in use. ENERGY: 3653800 754.1097 2109.5928 1966.2269 115.8545 -206090.8621 17870.4591 0.0000 0.0000 34315.1294 -148959.4897 299.6826 -183274.6190 -148863.9998 299.7642 -23.0232 11.7820 559048.5807 19.2808 19.0950 PRESSURE: 3654000 -116.626 163.377 -26.2986 163.377 -129.19 -10.507 -26.2979 -10.5072 188.957 GPRESSURE: 3654000 -70.22 107.069 -36.8661 122.114 -54.2719 -85.9666 43.6442 0.445194 159.981 PRESSAVG: 3654000 -34.8148 13.4365 -2.83972 13.4364 -35.8814 -53.5415 -2.83978 -53.5416 16.9239 GPRESSAVG: 3654000 -35.6817 14.0444 -2.18678 13.0298 -35.0817 -55.0519 -2.06219 -53.587 16.9521 TIMING: 3654000 CPU: 10614.9, 0.00295405/step Wall: 10614.9, 0.00295405/step, 1.10448 hours remaining, 206.945312 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: 3654000 727.2908 2109.3584 1970.1728 111.1462 -205960.4650 17699.6600 0.0000 0.0000 34247.6758 -149095.1610 299.0935 -183342.8368 -148994.2366 299.0108 -18.9532 11.8296 558433.4455 -17.9241 -17.9371 PRESSURE: 3654200 20.3062 34.9512 -3.2143 34.9504 238.898 -88.7352 -3.21397 -88.7341 -155.027 GPRESSURE: 3654200 19.793 23.5423 8.9437 65.1651 265.775 6.60197 34.4216 -73.9646 -79.7217 PRESSAVG: 3654200 -27.2404 31.3638 -7.47113 31.3638 3.06969 -34.3881 -7.47118 -34.3881 3.73805 GPRESSAVG: 3654200 -27.5555 31.6605 -6.58527 30.8823 2.79391 -33.3523 -6.25649 -33.8235 3.99667 TIMING: 3654200 CPU: 10615.5, 0.0029227/step Wall: 10615.5, 0.0029227/step, 1.0926 hours remaining, 206.976562 MB of memory in use. ENERGY: 3654200 724.5945 2114.7333 1925.1368 116.1337 -206404.9365 17935.8041 0.0000 0.0000 34231.0695 -149357.4647 298.9484 -183588.5342 -149263.6571 298.3724 34.7258 68.6153 558893.7354 -6.8109 -6.9216 PRESSURE: 3654400 -309.794 64.867 -96.4484 64.8672 -240.819 -22.9203 -96.4487 -22.9199 -87.2836 GPRESSURE: 3654400 -292.638 -17.2344 -10.2824 112.998 -170.467 61.5843 -124.11 -95.9928 -77.2221 PRESSAVG: 3654400 -41.0269 28.0336 62.3229 28.0336 55.1797 -73.2641 62.3229 -73.2639 -4.00623 GPRESSAVG: 3654400 -39.9662 24.3985 60.0625 32.7332 55.3991 -75.0644 63.598 -72.7741 -5.32593 TIMING: 3654400 CPU: 10616, 0.00290806/step Wall: 10616, 0.00290806/step, 1.08697 hours remaining, 206.976562 MB of memory in use. ENERGY: 3654400 781.4599 2061.3862 1957.1835 109.0670 -206169.3691 17779.1330 0.0000 0.0000 34208.9586 -149272.1809 298.7553 -183481.1395 -149172.4753 298.9260 -212.6320 -180.1090 557945.0930 3.3822 3.3690 PRESSURE: 3654600 17.605 62.4859 78.7772 62.4869 -222.106 -7.19157 78.7788 -7.19234 142.955 GPRESSURE: 3654600 35.7306 21.6139 165.779 87.7147 -159.618 -17.5535 30.4234 16.9678 149.634 PRESSAVG: 3654600 -10.141 36.2188 97.3017 36.2189 -25.3304 0.150907 97.3018 0.150938 58.5776 GPRESSAVG: 3654600 -11.2309 39.2731 97.9504 33.0976 -25.7237 1.97403 95.5127 -0.34086 60.2939 TIMING: 3654600 CPU: 10616.6, 0.00293417/step Wall: 10616.6, 0.00293417/step, 1.09657 hours remaining, 206.976562 MB of memory in use. ENERGY: 3654600 731.4297 2134.6686 1937.2508 102.9362 -206067.3393 17782.6230 0.0000 0.0000 34188.4329 -149189.9981 298.5761 -183378.4310 -149092.5339 298.8904 -20.5154 8.5822 558869.8062 7.7021 7.7798 PRESSURE: 3654800 68.2351 28.216 24.943 28.2152 133.692 9.60052 24.9428 9.59947 79.7602 GPRESSURE: 3654800 105.617 54.195 20.2987 -1.74404 113.908 -13.8492 30.539 97.9766 164.881 PRESSAVG: 3654800 6.3395 31.1943 5.24245 31.1942 -35.1343 44.6028 5.24246 44.6028 62.961 GPRESSAVG: 3654800 6.99548 32.0183 5.13635 30.8238 -33.9524 43.2292 5.81674 44.1409 61.3861 TIMING: 3654800 CPU: 10617.2, 0.00291347/step Wall: 10617.2, 0.00291347/step, 1.08867 hours remaining, 206.976562 MB of memory in use. ENERGY: 3654800 710.8788 2096.7124 1967.0089 117.1204 -206124.0310 17978.9282 0.0000 0.0000 34237.0930 -149016.2893 299.0010 -183253.3822 -148919.9225 298.8530 93.8958 128.1351 558266.4025 11.3887 11.4764 PRESSURE: 3655000 -126.252 216.228 54.4464 216.227 139.593 0.435681 54.4465 0.435267 -97.9393 GPRESSURE: 3655000 -120.031 209.869 33.4853 207.723 194.157 9.29648 67.0019 -30.1911 -62.7168 PRESSAVG: 3655000 -30.7831 49.8515 -24.5634 49.8514 22.3649 38.9195 -24.5634 38.9197 -36.1496 GPRESSAVG: 3655000 -31.084 47.1892 -23.5027 51.8134 23.1419 39.1074 -25.527 41.1812 -35.9901 TIMING: 3655000 CPU: 10617.8, 0.00293366/step Wall: 10617.8, 0.00293366/step, 1.09605 hours remaining, 206.976562 MB of memory in use. ENERGY: 3655000 716.6624 2151.5651 1935.9955 105.2076 -206574.3444 17929.4521 0.0000 0.0000 34499.7152 -149235.7466 301.2946 -183735.4617 -149141.8159 299.0494 -28.1994 3.8030 558613.4633 -14.8559 -14.6440 PRESSURE: 3655200 -55.0083 39.0206 -44.1718 39.0211 221.934 -61.9557 -44.1719 -61.9559 137.027 GPRESSURE: 3655200 1.68909 28.6575 37.2746 32.6771 294.124 -48.304 -51.8532 4.36461 101.94 PRESSAVG: 3655200 20.581 39.1047 -20.7809 39.1047 17.2993 28.6874 -20.7808 28.6873 -24.5968 GPRESSAVG: 3655200 21.0226 43.8351 -21.3887 36.6967 16.367 30.6696 -20.7341 27.3698 -24.0337 TIMING: 3655200 CPU: 10618.4, 0.00289656/step Wall: 10618.4, 0.00289656/step, 1.08203 hours remaining, 206.976562 MB of memory in use. ENERGY: 3655200 809.3479 2111.7465 1938.3593 117.7970 -206316.1762 17918.6319 0.0000 0.0000 34346.8034 -149073.4902 299.9592 -183420.2936 -148977.8729 299.2651 101.3175 132.5841 558223.5111 4.4278 4.4519 PRESSURE: 3655400 -34.1483 65.6582 35.2557 65.6586 -305.273 -13.4252 35.2562 -13.4255 -138.403 GPRESSURE: 3655400 6.88098 49.8295 -70.3376 61.0875 -231.31 -43.8063 123.895 23.417 -148.746 PRESSAVG: 3655400 -0.829074 -9.8846 3.18688 -9.88465 -16.2905 -48.823 3.18681 -48.823 -4.21179 GPRESSAVG: 3655400 -0.25071 -14.1497 2.62784 -7.13528 -16.0285 -50.0024 5.28956 -49.8551 -4.95722 TIMING: 3655400 CPU: 10619, 0.002915/step Wall: 10619, 0.002915/step, 1.08875 hours remaining, 206.976562 MB of memory in use. ENERGY: 3655400 760.9105 2094.7846 1961.6674 118.3585 -206167.4775 17703.7588 0.0000 0.0000 34302.5040 -149225.4936 299.5723 -183527.9976 -149126.1490 299.6327 -159.2749 -124.3917 559593.4357 -7.1104 -7.0788 PRESSURE: 3655600 -44.9808 -188.354 57.4133 -188.353 -236.859 -37.9764 57.4137 -37.9779 -135.128 GPRESSURE: 3655600 -27.5004 -249.287 70.8815 -66.8254 -188.534 -65.8694 5.64921 -35.6348 -106.726 PRESSAVG: 3655600 -34.002 21.7029 -32.2847 21.7029 11.3318 -68.8474 -32.2846 -68.8474 52.7038 GPRESSAVG: 3655600 -35.7604 22.5964 -31.9732 22.0229 11.8062 -70.8115 -32.1148 -66.3891 54.1017 TIMING: 3655600 CPU: 10619.5, 0.00291094/step Wall: 10619.5, 0.00291094/step, 1.08708 hours remaining, 206.976562 MB of memory in use. ENERGY: 3655600 747.1300 2133.1765 1961.6469 113.5775 -206121.5109 17648.4822 0.0000 0.0000 34128.8987 -149388.5992 298.0562 -183517.4979 -149286.8607 299.6473 -138.9894 -107.5868 558105.6695 10.0112 10.0491 PRESSURE: 3655800 14.4213 50.8272 7.30379 50.828 61.3778 -136.776 7.30318 -136.777 -225.428 GPRESSURE: 3655800 31.2971 -48.2165 25.4408 23.7303 53.918 -147.192 -41.9764 -70.4283 -156.277 PRESSAVG: 3655800 27.7813 12.0645 79.9359 12.0644 19.9808 -2.21674 79.9359 -2.21672 -38.2813 GPRESSAVG: 3655800 28.2243 11.8161 80.9567 10.7414 19.6338 -0.477073 78.8797 -4.00193 -37.8002 TIMING: 3655800 CPU: 10620.1, 0.00289984/step Wall: 10620.1, 0.00289984/step, 1.08277 hours remaining, 206.976562 MB of memory in use. ENERGY: 3655800 740.3255 2150.6586 1930.1620 119.0496 -206702.6334 18009.3551 0.0000 0.0000 34300.6141 -149452.4684 299.5558 -183753.0826 -149366.9383 298.3935 -49.8764 -23.6873 557894.2043 3.1603 3.3527 PRESSURE: 3656000 -147.055 -29.9303 -36.257 -29.9299 3.55476 84.2687 -36.2574 84.2692 -238.429 GPRESSURE: 3656000 -80.2216 -32.1407 -85.3167 -24.4147 -1.50886 69.3854 17.5635 168.894 -199.812 PRESSAVG: 3656000 37.6727 3.77267 6.91258 3.77263 -23.8489 4.80902 6.91259 4.80919 -32.1887 GPRESSAVG: 3656000 37.0709 1.93692 4.45149 3.16582 -22.6962 4.50222 7.43217 5.0599 -32.8611 TIMING: 3656000 CPU: 10620.7, 0.00291673/step Wall: 10620.7, 0.00291673/step, 1.08891 hours remaining, 206.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3656000 726.1858 2123.0841 1936.3792 115.9881 -206315.9915 17839.5205 0.0000 0.0000 34108.6097 -149466.2240 297.8790 -183574.8338 -149372.4248 297.8473 -127.3096 -93.8476 557784.7324 -6.1216 -6.1621 PRESSURE: 3656200 93.5291 194.005 56.2908 194.005 47.8594 27.4144 56.2919 27.4138 93.2746 GPRESSURE: 3656200 106.005 248.534 25.5965 83.4831 115.661 -10.5792 16.3476 -11.7482 117.518 PRESSAVG: 3656200 74.1964 35.3729 9.74063 35.3729 -21.3536 -2.20088 9.74061 -2.20081 -46.5814 GPRESSAVG: 3656200 74.4282 37.468 10.4484 36.2516 -20.6345 -1.04156 9.37962 -1.84921 -47.0492 TIMING: 3656200 CPU: 10621.3, 0.00288922/step Wall: 10621.3, 0.00288922/step, 1.07848 hours remaining, 206.976562 MB of memory in use. ENERGY: 3656200 730.6677 2116.2949 1942.5819 112.5063 -206615.8176 18093.6804 0.0000 0.0000 34151.7474 -149468.3391 298.2557 -183620.0865 -149365.8629 298.7720 78.2210 113.0612 557630.9041 2.0871 2.2482 LDB: ============= START OF LOAD BALANCING ============== 10624.8 LDB: ============== END OF LOAD BALANCING =============== 10624.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10624.8 LDB: ============= START OF LOAD BALANCING ============== 10625 LDB: Largest compute 4820 load 0.030257 is 25.7% of average load 0.117881 LDB: Average compute 0.001731 is 1.5% of average load 0.117881 LDB: TIME 10625 LOAD: AVG 0.117881 MAX 0.186243 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.32 MB LDB: TIME 10625 LOAD: AVG 0.117881 MAX 0.186243 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: TIME 10625 LOAD: AVG 0.117881 MAX 0.186243 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.383 MB LDB: ============== END OF LOAD BALANCING =============== 10625 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10625.1 PRESSURE: 3656400 68.0429 81.5026 11.5732 81.5017 47.2722 -8.2385 11.5733 -8.24043 -67.2116 GPRESSURE: 3656400 141.138 30.9194 100.14 87.8743 66.6373 9.42596 -59.4414 -28.5416 -56.4025 PRESSAVG: 3656400 27.0142 4.04325 40.7991 4.04331 -30.0807 -7.79233 40.7992 -7.79227 -20.3589 GPRESSAVG: 3656400 29.3688 3.03947 42.7617 4.83063 -32.4868 -7.76772 40.9923 -9.52147 -20.2693 TIMING: 3656400 CPU: 10621.9, 0.00297281/step Wall: 10621.9, 0.00297281/step, 1.10952 hours remaining, 207.046875 MB of memory in use. ENERGY: 3656400 745.4764 2103.1170 1957.9898 101.5802 -206478.7936 17998.4798 0.0000 0.0000 34208.2271 -149363.9235 298.7490 -183572.1506 -149267.3994 298.7193 16.0345 50.4576 556614.0583 -7.8085 -7.7958 PRESSURE: 3656600 75.7717 -24.0493 -42.9526 -24.0505 198.279 37.6933 -42.9526 37.6953 246.749 GPRESSURE: 3656600 64.1955 -35.8665 -88.6556 -36.3039 278.191 40.8 -29.5246 91.0303 280.823 PRESSAVG: 3656600 10.888 1.42917 35.3131 1.42913 -42.3866 -61.885 35.3131 -61.885 22.3416 GPRESSAVG: 3656600 11.019 2.2975 34.0759 0.904244 -41.9406 -62.5418 34.1629 -59.1866 21.6168 TIMING: 3656600 CPU: 10622.5, 0.0029264/step Wall: 10622.5, 0.0029264/step, 1.09203 hours remaining, 207.300781 MB of memory in use. ENERGY: 3656600 751.2964 2074.3914 1979.6802 110.4251 -206500.7977 17901.2088 0.0000 0.0000 34350.9853 -149332.8106 299.9957 -183683.7958 -149239.6829 299.1104 173.6001 207.7365 554799.1005 -3.0523 -3.1016 PRESSURE: 3656800 -314.668 45.575 167.159 45.5757 -374.284 -35.6467 167.159 -35.6454 -108.619 GPRESSURE: 3656800 -266.793 62.1442 204.947 20.6884 -310.42 -87.3494 252.954 15.9625 -135.913 PRESSAVG: 3656800 42.1407 -17.8645 -3.0917 -17.8644 -20.4826 -52.9002 -3.09172 -52.9002 -10.4877 GPRESSAVG: 3656800 40.9761 -17.4332 0.460871 -17.9913 -19.3284 -52.6202 -3.99794 -53.8434 -10.5165 TIMING: 3656800 CPU: 10623, 0.00293329/step Wall: 10623, 0.00293329/step, 1.09444 hours remaining, 207.300781 MB of memory in use. ENERGY: 3656800 742.6741 2111.8615 1966.7370 114.4240 -205978.8280 17672.8018 0.0000 0.0000 34049.6699 -149320.6597 297.3642 -183370.3296 -149216.9727 299.1464 -265.8569 -237.7087 559383.6852 3.7234 3.7104 PRESSURE: 3657000 271.662 -82.1129 -95.4697 -82.1133 -86.8647 -125.793 -95.4697 -125.793 -105.875 GPRESSURE: 3657000 248.937 -87.9976 -99.0626 -118.308 -22.7277 -198.543 -116.382 -89.9549 -46.7768 PRESSAVG: 3657000 -17.1453 -23.4313 -6.6678 -23.4313 -21.1978 17.0502 -6.66774 17.0502 7.93405 GPRESSAVG: 3657000 -16.8915 -23.9712 -10.7246 -24.4995 -20.5978 18.2287 -4.76557 17.4642 6.97882 TIMING: 3657000 CPU: 10623.6, 0.00292822/step Wall: 10623.6, 0.00292822/step, 1.09239 hours remaining, 207.300781 MB of memory in use. ENERGY: 3657000 738.3307 2079.1494 1955.6750 122.7493 -206105.4510 17860.0971 0.0000 0.0000 34262.2418 -149087.2077 299.2207 -183349.4495 -148985.5724 298.7960 26.3073 59.8108 558500.9492 -10.1364 -10.1702 PRESSURE: 3657200 76.9493 -178.364 63.8 -178.365 -339.078 -19.8172 63.7997 -19.8168 68.5012 GPRESSURE: 3657200 126.576 -66.9226 33.712 -228.148 -285.743 8.16471 -0.00861743 33.7026 67.3271 PRESSAVG: 3657200 -31.6754 -3.38289 -35.6699 -3.38304 -2.36214 -50.7373 -35.6699 -50.7372 -11.8036 GPRESSAVG: 3657200 -32.662 -2.781 -34.0279 -3.62644 -3.43912 -52.3335 -35.9612 -51.391 -9.55603 TIMING: 3657200 CPU: 10624.2, 0.00292862/step Wall: 10624.2, 0.00292862/step, 1.09237 hours remaining, 207.300781 MB of memory in use. ENERGY: 3657200 754.5527 2176.8955 1959.5476 117.4218 -205707.7933 17559.9031 0.0000 0.0000 34175.5714 -148963.9012 298.4638 -183139.4726 -148866.1598 299.9556 -64.5425 -30.6131 557716.7314 -15.2804 -15.2190 PRESSURE: 3657400 43.1384 15.7269 76.3203 15.7274 -32.4465 -12.9393 76.3208 -12.9399 -156.098 GPRESSURE: 3657400 46.3144 60.7871 119.716 22.0819 7.75705 -30.1758 9.40668 -24.6065 -103.849 PRESSAVG: 3657400 -39.5512 -4.47098 18.5791 -4.47095 1.13734 2.36055 18.5792 2.36056 17.204 GPRESSAVG: 3657400 -38.5235 -6.13473 19.1779 -4.24525 2.49296 4.34156 17.2493 1.89801 15.2815 TIMING: 3657400 CPU: 10624.8, 0.00292418/step Wall: 10624.8, 0.00292418/step, 1.09056 hours remaining, 207.300781 MB of memory in use. ENERGY: 3657400 762.2851 2079.3612 1983.0511 117.2892 -205991.9353 17798.6801 0.0000 0.0000 34225.2375 -149026.0311 298.8975 -183251.2686 -148933.2392 299.6733 -48.4686 -16.5925 558082.2799 -7.0699 -6.9163 PRESSURE: 3657600 32.3589 35.8849 -170.037 35.8846 -119.469 70.2739 -170.037 70.2738 240.211 GPRESSURE: 3657600 60.1788 -88.0122 -242.117 113.956 -86.3851 59.1439 -141.97 7.97657 274.227 PRESSAVG: 3657600 34.2167 16.9766 -12.1124 16.9767 -32.4164 10.6325 -12.1125 10.6324 33.5814 GPRESSAVG: 3657600 34.2371 20.0565 -14.0284 17.9562 -34.1964 8.36335 -10.1816 13.4025 34.5973 TIMING: 3657600 CPU: 10625.4, 0.00295202/step Wall: 10625.4, 0.00295202/step, 1.10078 hours remaining, 207.300781 MB of memory in use. ENERGY: 3657600 745.5659 2127.8703 1948.3675 115.0292 -205986.2794 17654.6456 0.0000 0.0000 34341.4943 -149053.3065 299.9128 -183394.8008 -148958.2552 299.7328 51.0335 82.6737 555774.1532 11.7939 11.5460 PRESSURE: 3657800 -445.245 21.3382 55.6433 21.3366 -180.134 -91.8186 55.6429 -91.8183 40.6248 GPRESSURE: 3657800 -419.276 -30.5892 35.4604 3.369 -69.0937 -54.626 102.676 -69.2038 -3.42873 PRESSAVG: 3657800 -30.9633 -23.8237 -28.5281 -23.8236 7.04725 -38.7287 -28.528 -38.7288 19.2204 GPRESSAVG: 3657800 -31.4909 -25.0703 -27.4433 -25.2199 7.43201 -38.7464 -29.0446 -40.0635 19.4163 TIMING: 3657800 CPU: 10626, 0.00294377/step Wall: 10626, 0.00294377/step, 1.09753 hours remaining, 207.300781 MB of memory in use. ENERGY: 3657800 790.1791 2127.3746 1981.0190 125.8693 -205716.3020 17458.2812 0.0000 0.0000 34266.9403 -148966.6385 299.2617 -183233.5788 -148871.6159 299.6299 -194.9182 -163.9327 558832.9429 -1.5652 -1.5475 PRESSURE: 3658000 -54.478 -124.091 -110.759 -124.091 154.795 54.6072 -110.759 54.6073 -129.372 GPRESSURE: 3658000 -46.3654 -63.9066 39.0395 -154.212 252.328 -7.87143 -211.232 41.3515 -134.418 PRESSAVG: 3658000 -11.9345 -25.3686 -5.38761 -25.3686 -5.78063 -46.0741 -5.38749 -46.074 31.6364 GPRESSAVG: 3658000 -10.3633 -27.7713 -3.04026 -23.8393 -7.48337 -44.9393 -7.8443 -46.3148 32.0271 TIMING: 3658000 CPU: 10626.6, 0.00297007/step Wall: 10626.6, 0.00297007/step, 1.10718 hours remaining, 207.300781 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: 3658000 759.6543 2156.5925 1971.0713 121.0885 -206279.8800 17932.5958 0.0000 0.0000 34225.4806 -149113.3970 298.8996 -183338.8776 -149020.7332 299.3967 -9.6849 23.8482 559436.5673 4.6404 4.7268 PRESSURE: 3658200 20.2503 -42.1511 122.579 -42.1506 -18.2092 191.456 122.579 191.455 -183.49 GPRESSURE: 3658200 26.3615 -18.2345 32.7376 22.5814 -12.0463 228.317 134.053 179.591 -104.792 PRESSAVG: 3658200 36.3405 -23.0701 13.7593 -23.0701 9.33069 -23.0576 13.7592 -23.0577 -41.228 GPRESSAVG: 3658200 36.2587 -22.1806 11.4018 -23.4633 9.79569 -22.0813 15.4742 -24.4596 -41.6301 TIMING: 3658200 CPU: 10627.2, 0.00292445/step Wall: 10627.2, 0.00292445/step, 1.09001 hours remaining, 207.300781 MB of memory in use. ENERGY: 3658200 739.5373 2109.2666 1966.2987 117.8050 -206055.2174 17586.2405 0.0000 0.0000 34506.1119 -149029.9577 301.3505 -183536.0695 -148930.4870 299.6908 -60.4830 -30.1591 558472.1945 1.4811 1.4748 PRESSURE: 3658400 -27.2553 105.93 5.50676 105.93 -190.371 -53.6427 5.50537 -53.6427 -213.289 GPRESSURE: 3658400 -32.3035 186.885 -16.8261 139.257 -151.204 -144.661 16.074 -47.0736 -164.584 PRESSAVG: 3658400 26.9138 -39.7838 10.2067 -39.7838 3.55835 -2.95815 10.2066 -2.95817 -10.2655 GPRESSAVG: 3658400 25.8723 -40.9013 9.99661 -37.298 4.28798 -3.72715 11.3308 -2.90953 -10.0597 TIMING: 3658400 CPU: 10627.7, 0.00292376/step Wall: 10627.7, 0.00292376/step, 1.08959 hours remaining, 207.300781 MB of memory in use. ENERGY: 3658400 757.8542 2152.8371 1968.3936 117.7750 -205997.3219 17691.4397 0.0000 0.0000 34109.6068 -149199.4154 297.8877 -183309.0222 -149097.2185 299.5300 -143.6385 -116.0307 558800.6687 6.7356 6.7002 PRESSURE: 3658600 -81.5281 -121.884 4.27795 -121.883 -147.654 96.553 4.27806 96.5525 -25.1396 GPRESSURE: 3658600 -68.2935 -78.2147 40.3231 -149.671 -47.4496 23.6562 15.0098 106.284 -42.4394 PRESSAVG: 3658600 -49.3887 -7.96978 26.5219 -7.96976 50.2001 -44.8063 26.5219 -44.8062 -18.6129 GPRESSAVG: 3658600 -48.0644 -4.64766 27.854 -11.6551 48.9541 -45.3519 26.3966 -44.8338 -18.6116 TIMING: 3658600 CPU: 10628.3, 0.00290862/step Wall: 10628.3, 0.00290862/step, 1.08378 hours remaining, 207.300781 MB of memory in use. ENERGY: 3658600 762.3949 2056.4936 1933.1756 107.3681 -206241.9454 17857.0498 0.0000 0.0000 34200.8926 -149324.5707 298.6849 -183525.4633 -149231.5377 299.2226 -84.7739 -52.7275 558503.9854 -5.9338 -5.9073 PRESSURE: 3658800 -329.541 -47.1695 62.1996 -47.1702 -58.9893 -22.7319 62.1986 -22.7313 -151.16 GPRESSURE: 3658800 -254.699 -27.7108 74.1641 -20.4436 -72.7067 30.1441 79.3571 -36.0215 -117.308 PRESSAVG: 3658800 30.325 -2.36594 47.1561 -2.36584 8.34466 -11.22 47.156 -11.2199 -19.8774 GPRESSAVG: 3658800 29.655 -4.24662 47.9144 -0.959242 9.56889 -12.29 45.0946 -9.35548 -20.4178 TIMING: 3658800 CPU: 10628.9, 0.00292291/step Wall: 10628.9, 0.00292291/step, 1.08895 hours remaining, 207.300781 MB of memory in use. ENERGY: 3658800 798.9270 2081.7318 1972.8862 114.4426 -206587.8675 17896.1545 0.0000 0.0000 34326.2796 -149397.4458 299.7799 -183723.7253 -149297.8766 298.4607 -179.8968 -148.2378 558188.2644 6.2641 6.2687 PRESSURE: 3659000 -304.861 38.9055 -55.6147 38.9055 -10.8014 68.5229 -55.614 68.523 -195.85 GPRESSURE: 3659000 -298.922 44.4906 -39.7537 -83.1402 43.6646 79.7986 47.4665 79.9563 -155.399 PRESSAVG: 3659000 -20.6327 -0.068683 59.887 -0.0687511 -15.9249 -15.629 59.8868 -15.629 19.6865 GPRESSAVG: 3659000 -20.323 0.939803 59.6364 -1.01186 -16.467 -15.4232 62.0878 -15.8964 20.7392 TIMING: 3659000 CPU: 10629.5, 0.00293822/step Wall: 10629.5, 0.00293822/step, 1.09449 hours remaining, 207.300781 MB of memory in use. ENERGY: 3659000 706.3740 2116.8988 1959.6761 113.5430 -206164.9965 17678.2665 0.0000 0.0000 34151.9245 -149438.3136 298.2573 -183590.2382 -149338.1329 298.3495 -170.5041 -136.8855 557239.9216 -5.6237 -5.3503 PRESSURE: 3659200 -93.3846 168.825 63.2872 168.826 -72.8021 31.7085 63.2863 31.7099 -229.88 GPRESSURE: 3659200 -96.0089 124.287 14.0288 193.908 -12.025 5.06719 134.118 9.89469 -195.265 PRESSAVG: 3659200 41.8515 -9.10674 39.4264 -9.10669 36.3108 0.360683 39.4265 0.360659 -21.8335 GPRESSAVG: 3659200 42.5047 -10.8544 39.1711 -8.85056 36.9151 1.17214 36.3319 -0.749574 -23.0699 TIMING: 3659200 CPU: 10630.1, 0.00291232/step Wall: 10630.1, 0.00291232/step, 1.08468 hours remaining, 207.300781 MB of memory in use. ENERGY: 3659200 774.5191 2108.6622 1974.4236 107.2955 -206581.4911 18033.0483 0.0000 0.0000 34101.6733 -149481.8691 297.8184 -183583.5425 -149388.6538 298.5717 -132.0223 -101.0995 559260.4972 18.7763 18.7833 PRESSURE: 3659400 -37.7682 -75.7025 74.6853 -75.7029 78.6168 92.0114 74.6862 92.0117 -28.9077 GPRESSURE: 3659400 -33.0495 -85.3977 170.595 -97.5553 158.084 127.367 -9.01907 114.306 -28.1634 PRESSAVG: 3659400 -42.4261 32.44 13.5743 32.4399 10.5946 59.4361 13.5742 59.4362 -17.1638 GPRESSAVG: 3659400 -40.6699 32.9615 13.2004 30.4955 10.9291 59.9394 15.2862 57.8612 -19.0097 TIMING: 3659400 CPU: 10630.7, 0.00291424/step Wall: 10630.7, 0.00291424/step, 1.08523 hours remaining, 207.300781 MB of memory in use. ENERGY: 3659400 743.8521 2044.7802 1951.7036 110.2815 -206979.6381 18172.9082 0.0000 0.0000 34375.5631 -149580.5494 300.2103 -183956.1125 -149482.8901 299.0107 3.9803 32.2902 558333.0650 -16.3317 -16.2501 PRESSURE: 3659600 -132.49 110.669 38.8392 110.668 -13.4156 70.1989 38.8404 70.199 -72.2827 GPRESSURE: 3659600 -105.295 141.866 90.6854 172.336 -39.5085 156.884 1.15979 32.996 17.6221 PRESSAVG: 3659600 -22.5251 -10.0939 21.9198 -10.0939 11.0563 76.9344 21.9198 76.9342 30.4312 GPRESSAVG: 3659600 -24.5598 -9.67086 21.6311 -7.85597 10.8072 77.7965 21.5773 77.8277 32.1887 TIMING: 3659600 CPU: 10631.2, 0.00289906/step Wall: 10631.2, 0.00289906/step, 1.07942 hours remaining, 207.300781 MB of memory in use. ENERGY: 3659600 759.1892 2047.5705 1942.1131 113.8174 -206517.6824 17937.6387 0.0000 0.0000 34127.8216 -149589.5320 298.0468 -183717.3535 -149491.3222 298.2101 -72.7295 -42.3938 557877.2147 6.3208 6.1454 PRESSURE: 3659800 228.022 -102.52 53.5508 -102.521 -95.1059 75.0891 53.5508 75.0899 148.742 GPRESSURE: 3659800 229.769 -114.326 78.2629 -69.9374 -35.1889 74.5106 21.906 91.8292 186.091 PRESSAVG: 3659800 33.8482 17.4002 -21.3793 17.4002 41.0428 12.8858 -21.3793 12.8859 -4.87099 GPRESSAVG: 3659800 33.9112 16.4125 -20.9099 16.3243 41.26 10.7554 -20.8094 13.3655 -4.49056 TIMING: 3659800 CPU: 10631.8, 0.00289335/step Wall: 10631.8, 0.00289335/step, 1.07713 hours remaining, 207.300781 MB of memory in use. ENERGY: 3659800 752.0015 2104.5412 1964.1139 108.4802 -206839.4762 18194.8675 0.0000 0.0000 34130.9554 -149584.5165 298.0741 -183715.4719 -149493.5024 298.3406 93.8858 126.8905 557549.2065 23.3400 23.5602 PRESSURE: 3660000 -6.3932 -137.433 -80.6132 -137.433 75.5855 215.352 -80.6134 215.35 -10.3517 GPRESSURE: 3660000 10.0294 -152.994 -141.151 -153.273 72.4683 243.152 17.6822 182.981 69.2279 PRESSAVG: 3660000 -12.4461 -34.0299 11.5498 -34.0299 7.16279 84.0089 11.5498 84.009 -5.94008 GPRESSAVG: 3660000 -12.7323 -34.9101 12.0971 -31.2782 8.43884 84.9905 10.7938 83.5942 -6.82761 TIMING: 3660000 CPU: 10632.4, 0.00289263/step Wall: 10632.4, 0.00289263/step, 1.0767 hours remaining, 207.300781 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: 3660000 791.3261 2052.8464 1922.3212 113.2055 -206836.0777 18028.4432 0.0000 0.0000 34349.1806 -149578.7547 299.9799 -183927.9353 -149482.8696 299.1835 19.6135 50.5752 556879.9107 -3.7411 -3.7070 PRESSURE: 3660200 -234.037 68.5079 -23.8789 68.5085 -140.579 37.9275 -23.8783 37.9283 -232.252 GPRESSURE: 3660200 -226.901 133.351 29.5501 8.65276 -137.301 106.567 44.4162 -65.6216 -141.891 PRESSAVG: 3660200 6.08386 7.86745 -14.73 7.86745 -22.6432 22.9321 -14.73 22.9321 22.0443 GPRESSAVG: 3660200 6.30281 9.77838 -14.2208 5.92697 -23.1399 23.3378 -15.2908 21.8413 22.3625 TIMING: 3660200 CPU: 10633, 0.00291381/step Wall: 10633, 0.00291381/step, 1.08442 hours remaining, 207.300781 MB of memory in use. ENERGY: 3660200 770.8910 2051.6078 1972.9935 114.0608 -206525.9384 17754.1907 0.0000 0.0000 34233.5067 -149628.6880 298.9697 -183862.1946 -149530.1300 297.9292 -202.2896 -168.6976 558129.5903 1.8283 1.8418 LDB: ============= START OF LOAD BALANCING ============== 10636.5 LDB: ============== END OF LOAD BALANCING =============== 10636.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10636.5 LDB: ============= START OF LOAD BALANCING ============== 10636.8 LDB: Largest compute 4820 load 0.030492 is 25.9% of average load 0.117807 LDB: Average compute 0.001725 is 1.5% of average load 0.117807 LDB: TIME 10636.8 LOAD: AVG 0.117807 MAX 0.18649 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 10636.8 LOAD: AVG 0.117807 MAX 0.18649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 10636.8 LOAD: AVG 0.117807 MAX 0.18649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10636.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10636.8 PRESSURE: 3660400 -113.518 -102.593 -167.49 -102.595 57.1581 23.2741 -167.49 23.2734 -149.058 GPRESSURE: 3660400 -52.9363 -144.815 -128.476 -71.7901 141.051 30.9984 -142.888 96.682 -202.197 PRESSAVG: 3660400 -12.9469 43.1469 -30.7551 43.1469 17.9193 2.7196 -30.755 2.71966 57.5528 GPRESSAVG: 3660400 -13.0135 40.1257 -31.7632 44.576 16.6928 2.90496 -28.7165 3.89955 58.7967 TIMING: 3660400 CPU: 10633.6, 0.00298048/step Wall: 10633.6, 0.00298048/step, 1.10907 hours remaining, 209.156250 MB of memory in use. ENERGY: 3660400 747.0968 2135.6809 1938.6966 102.8189 -206398.7027 17790.7316 0.0000 0.0000 34067.9202 -149615.7576 297.5236 -183683.6778 -149521.5172 298.0217 -68.4725 -38.0275 557636.0843 20.8417 20.8253 PRESSURE: 3660600 -19.2926 89.104 98.9406 89.1037 -328.949 -50.2765 98.9403 -50.2765 -93.8817 GPRESSURE: 3660600 22.2336 176.217 60.381 13.3879 -318.527 -76.7986 74.6447 -74.3408 -42.5521 PRESSAVG: 3660600 -12.2869 74.8625 24.2625 74.8626 16.0659 -19.324 24.2626 -19.3241 5.71701 GPRESSAVG: 3660600 -12.2723 77.9513 24.0644 74.4649 16.9968 -18.4289 22.5277 -20.3058 4.99152 TIMING: 3660600 CPU: 10634.2, 0.00290212/step Wall: 10634.2, 0.00290212/step, 1.07975 hours remaining, 209.359375 MB of memory in use. ENERGY: 3660600 723.4273 2086.7966 1964.3888 111.8368 -206124.3389 17520.3625 0.0000 0.0000 34188.2737 -149529.2532 298.5747 -183717.5269 -149428.8741 298.1684 -147.3746 -112.9486 558537.1369 3.1653 3.2387 PRESSURE: 3660800 -47.1151 1.0393 -18.047 1.03924 -85.6529 -123.036 -18.0468 -123.036 -55.5281 GPRESSURE: 3660800 7.47218 17.5328 30.9001 8.71075 -57.7435 -100.861 -49.7687 -160.615 -46.8399 PRESSAVG: 3660800 -11.4654 17.5918 44.8893 17.5917 -33.0477 2.65677 44.8893 2.65676 15.6045 GPRESSAVG: 3660800 -10.6394 17.5847 45.0637 17.1769 -32.4852 2.09766 45.4383 3.46042 14.4739 TIMING: 3660800 CPU: 10634.7, 0.00290271/step Wall: 10634.7, 0.00290271/step, 1.07981 hours remaining, 209.359375 MB of memory in use. ENERGY: 3660800 728.9373 2086.6744 1957.2262 114.9732 -206368.3461 17791.0461 0.0000 0.0000 34152.9660 -149536.5229 298.2663 -183689.4889 -149440.6561 298.6194 -62.7653 -32.3704 557865.5680 -9.6362 -9.5502 PRESSURE: 3661000 -209.778 71.6984 63.2686 71.6977 -166.236 -85.0353 63.269 -85.0358 -295.9 GPRESSURE: 3661000 -173.19 29.8196 109.077 29.0752 -163.083 -114.476 -50.454 -89.6549 -230.769 PRESSAVG: 3661000 42.688 -16.8527 -0.736167 -16.8526 -7.77118 15.6463 -0.736184 15.6463 -17.0722 GPRESSAVG: 3661000 41.8318 -16.9219 1.63302 -19.6197 -7.88346 15.1759 -1.62191 14.8514 -16.1269 TIMING: 3661000 CPU: 10635.3, 0.00288811/step Wall: 10635.3, 0.00288811/step, 1.07422 hours remaining, 209.359375 MB of memory in use. ENERGY: 3661000 753.4498 2089.9211 1973.1568 111.9883 -206037.6836 17645.5760 0.0000 0.0000 33967.1516 -149496.4399 296.6436 -183463.5915 -149394.4184 298.7735 -223.9712 -189.0140 559257.6345 5.9482 5.9405 PRESSURE: 3661200 -87.4898 4.51099 -29.264 4.51205 -207.829 -169.197 -29.2641 -169.198 22.8578 GPRESSURE: 3661200 -50.2493 -30.2275 -2.16547 60.0574 -184.461 -117.478 -85.4384 -232.685 55.7082 PRESSAVG: 3661200 -15.3235 -18.562 -1.58596 -18.5621 -27.3467 -61.3208 -1.58593 -61.3208 43.3753 GPRESSAVG: 3661200 -14.7786 -19.2696 -3.33793 -15.2507 -27.9768 -61.1706 0.590643 -61.721 43.3612 TIMING: 3661200 CPU: 10635.9, 0.00289584/step Wall: 10635.9, 0.00289584/step, 1.07693 hours remaining, 209.359375 MB of memory in use. ENERGY: 3661200 748.7141 2104.6018 1958.4333 108.7854 -206156.2223 17909.7474 0.0000 0.0000 33843.0369 -149482.9034 295.5597 -183325.9403 -149382.9168 298.1311 -90.8202 -59.6673 558569.3371 0.2350 0.2019 PRESSURE: 3661400 -331.367 -22.5996 -154.374 -22.5982 304.941 -100.603 -154.374 -100.604 -105.243 GPRESSURE: 3661400 -239.217 -124.683 -2.33432 4.49263 266.615 -194.446 -160.77 75.0114 -68.1728 PRESSAVG: 3661400 -61.1342 -30.6059 -29.8914 -30.6059 33.029 9.4089 -29.8914 9.40878 10.0113 GPRESSAVG: 3661400 -62.5961 -30.2571 -30.7361 -32.146 33.8786 10.6739 -29.4699 10.0193 10.4574 TIMING: 3661400 CPU: 10636.5, 0.00293981/step Wall: 10636.5, 0.00293981/step, 1.09312 hours remaining, 209.359375 MB of memory in use. ENERGY: 3661400 748.9139 2109.8594 1925.4749 102.7406 -206359.1971 17859.2525 0.0000 0.0000 34144.0510 -149468.9050 298.1885 -183612.9559 -149381.1756 298.2071 -43.8899 -13.5916 559407.8353 -6.0313 -6.0867 PRESSURE: 3661600 -143.871 -112.408 145.164 -112.41 -210.543 -161.817 145.165 -161.817 -102.536 GPRESSURE: 3661600 -104.463 -92.7783 217.168 -81.9233 -148.756 -186.923 164.127 -228.864 -100.597 PRESSAVG: 3661600 -15.3112 -49.2432 -37.6735 -49.2433 -22.8916 3.69352 -37.6735 3.69358 47.7985 GPRESSAVG: 3661600 -15.6031 -48.6912 -35.7432 -50.5342 -22.3868 0.196526 -38.8716 5.36887 47.3546 TIMING: 3661600 CPU: 10637.1, 0.00293901/step Wall: 10637.1, 0.00293901/step, 1.09266 hours remaining, 209.429688 MB of memory in use. ENERGY: 3661600 776.6724 2127.4471 1933.6797 107.5985 -205978.2028 17625.6909 0.0000 0.0000 33996.8154 -149410.2988 296.9026 -183407.1141 -149318.5554 298.7877 -152.3164 -117.9387 559723.5971 3.1986 3.1216 PRESSURE: 3661800 -154.701 -99.5722 -54.6972 -99.5727 36.6565 -90.4019 -54.6969 -90.4016 -101.269 GPRESSURE: 3661800 -146.15 -31.495 -99.0171 -64.7888 41.5133 -68.2522 -90.8634 -48.0623 -10.4934 PRESSAVG: 3661800 -66.6613 -26.4325 17.4434 -26.4326 -1.15274 -15.8603 17.4433 -15.8603 -8.35852 GPRESSAVG: 3661800 -66.0948 -26.3587 16.2608 -25.2851 -2.07406 -13.8679 17.4502 -16.8802 -8.37988 TIMING: 3661800 CPU: 10637.7, 0.00290441/step Wall: 10637.7, 0.00290441/step, 1.07963 hours remaining, 209.429688 MB of memory in use. ENERGY: 3661800 717.1255 2083.2658 1936.6155 116.8367 -206299.2240 17746.7632 0.0000 0.0000 34232.6845 -149465.9328 298.9625 -183698.6173 -149370.1702 297.9357 -73.1044 -38.3768 559482.9682 -25.3908 -25.5163 PRESSURE: 3662000 98.2183 -110.563 15.1818 -110.564 -143.85 52.0692 15.1825 52.0687 125.522 GPRESSURE: 3662000 103.119 -211.146 22.3775 -29.6856 -41.1489 13.8335 4.67162 71.2985 122.104 PRESSAVG: 3662000 -22.2855 -38.9004 -27.9135 -38.9006 42.6633 -44.9756 -27.9136 -44.9756 -47.7921 GPRESSAVG: 3662000 -23.9414 -39.215 -27.3857 -37.507 43.5932 -43.6362 -29.3976 -44.3435 -47.6568 TIMING: 3662000 CPU: 10638.2, 0.00290189/step Wall: 10638.2, 0.00290189/step, 1.07853 hours remaining, 209.429688 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: 3662000 714.7126 2091.7828 1955.6371 115.6066 -206399.0032 17925.5244 0.0000 0.0000 34263.0102 -149332.7296 299.2274 -183595.7397 -149232.8619 297.4196 26.6301 61.3580 559492.8562 -9.1381 -9.3350 PRESSURE: 3662200 36.0623 72.8018 73.2001 72.8017 -303.989 124.479 73.1992 124.48 -215.517 GPRESSURE: 3662200 58.7149 18.7063 65.753 36.3132 -305.658 80.7609 30.9726 121.737 -150.656 PRESSAVG: 3662200 70.7987 57.0284 23.0004 57.0283 15.194 43.9251 23.0004 43.9251 -99.7672 GPRESSAVG: 3662200 72.1868 57.4666 23.538 54.3133 14.5725 42.6993 25.2594 45.0297 -100.299 TIMING: 3662200 CPU: 10638.8, 0.00294061/step Wall: 10638.8, 0.00294061/step, 1.09276 hours remaining, 209.429688 MB of memory in use. ENERGY: 3662200 721.7807 2131.5291 1938.8412 113.8000 -206290.5358 17856.1838 0.0000 0.0000 34124.1297 -149404.2714 298.0145 -183528.4011 -149307.4236 298.2376 -161.1480 -132.5330 560315.4877 -4.5915 -4.5133 PRESSURE: 3662400 -7.5603 -91.5807 27.6276 -91.5806 112.564 13.2368 27.6277 13.2369 131.273 GPRESSURE: 3662400 19.2772 -130.47 68.3576 -81.0945 132.225 3.53515 6.5612 26.4015 176.638 PRESSAVG: 3662400 -26.5881 10.3234 32.2831 10.3234 4.0404 -19.2837 32.2831 -19.2838 48.9361 GPRESSAVG: 3662400 -26.1561 10.3855 31.9661 11.1883 3.18951 -18.5839 29.2994 -20.6333 49.5753 TIMING: 3662400 CPU: 10639.4, 0.00292811/step Wall: 10639.4, 0.00292811/step, 1.08796 hours remaining, 209.429688 MB of memory in use. ENERGY: 3662400 720.3068 2089.9133 1949.3262 124.5868 -206640.1090 18181.1639 0.0000 0.0000 34292.0955 -149282.7166 299.4814 -183574.8121 -149185.6244 298.4691 78.7589 109.3802 560050.4653 8.7961 8.8696 PRESSURE: 3662600 249.055 152.68 -130.436 152.68 240.931 -139.098 -130.436 -139.099 -219.214 GPRESSURE: 3662600 286.897 47.4628 -152.575 167.847 269.177 -174.776 -44.6477 -43.9114 -199.393 PRESSAVG: 3662600 -26.6548 -17.1797 -27.6803 -17.1796 40.6797 -18.7748 -27.6803 -18.7748 -30.1909 GPRESSAVG: 3662600 -26.703 -17.323 -28.3959 -17.3802 41.3422 -18.4751 -26.53 -18.4826 -30.1845 TIMING: 3662600 CPU: 10640, 0.00293014/step Wall: 10640, 0.00293014/step, 1.08855 hours remaining, 209.429688 MB of memory in use. ENERGY: 3662600 707.5071 2086.7483 1961.7569 114.6106 -206104.5026 17895.2439 0.0000 0.0000 34000.2643 -149338.3715 296.9328 -183338.6358 -149241.1548 298.4956 90.2574 118.8938 559599.0410 -5.3887 -5.1818 PRESSURE: 3662800 164.867 -35.3446 -4.96107 -35.3443 -208.47 99.1867 -4.96171 99.1845 -29.4202 GPRESSURE: 3662800 188.868 -17.8318 -3.76087 -52.0622 -146.635 67.7804 -84.8189 86.4111 -29.8168 PRESSAVG: 3662800 -12.3521 -45.8458 -47.6471 -45.8458 -33.7992 -9.65462 -47.647 -9.65462 63.641 GPRESSAVG: 3662800 -12.5942 -45.7009 -48.0454 -46.455 -33.2703 -11.291 -48.1075 -8.70274 63.4048 TIMING: 3662800 CPU: 10640.6, 0.00293516/step Wall: 10640.6, 0.00293516/step, 1.09025 hours remaining, 209.429688 MB of memory in use. ENERGY: 3662800 719.3066 2101.6114 1978.1222 109.6744 -206054.3534 17766.2453 0.0000 0.0000 34202.1381 -149177.2553 298.6958 -183379.3935 -149076.8022 299.1920 -24.3409 4.1387 559158.5547 5.8299 5.8468 PRESSURE: 3663000 -1.6298 126.582 75.6004 126.582 -151.508 -22.5741 75.5997 -22.5742 -88.86 GPRESSURE: 3663000 -2.20951 138.171 55.8122 40.1918 -128.556 35.7315 122.937 87.0677 -16.0716 PRESSAVG: 3663000 -11.8606 -0.952795 0.737317 -0.952827 45.4464 51.3173 0.73732 51.3173 -36.9437 GPRESSAVG: 3663000 -11.6925 -0.747104 2.25345 -0.938209 45.0093 52.2405 0.772826 50.1273 -36.781 TIMING: 3663000 CPU: 10641.2, 0.00295731/step Wall: 10641.2, 0.00295731/step, 1.09831 hours remaining, 209.429688 MB of memory in use. ENERGY: 3663000 748.3578 2073.8707 1967.1722 118.5730 -206037.5303 17729.1471 0.0000 0.0000 34268.9408 -149131.4687 299.2792 -183400.4095 -149035.4520 299.1851 -80.6660 -48.9456 558588.2967 -1.1193 -1.1548 PRESSURE: 3663200 186.51 -16.5085 68.9337 -16.509 12.0768 -36.4909 68.9336 -36.4893 -58.502 GPRESSURE: 3663200 233.347 -86.1657 81.216 74.3889 -11.4177 -24.3726 61.4115 0.64916 1.85795 PRESSAVG: 3663200 -1.52976 18.2067 25.2799 18.2067 -35.233 51.2317 25.2799 51.2317 9.86538 GPRESSAVG: 3663200 -0.277241 18.7706 27.2197 19.2913 -35.2833 52.8168 24.7683 48.0877 9.05245 TIMING: 3663200 CPU: 10641.8, 0.00293989/step Wall: 10641.8, 0.00293989/step, 1.09168 hours remaining, 209.429688 MB of memory in use. ENERGY: 3663200 765.6391 2062.6731 1977.7571 126.2400 -206246.5408 17790.2005 0.0000 0.0000 34330.8211 -149193.2100 299.8196 -183524.0311 -149098.4088 299.5798 46.6950 74.5958 558429.0135 -8.9658 -8.8360 PRESSURE: 3663400 -129.729 116.894 -15.2094 116.895 54.3098 -238.023 -15.2081 -238.024 211.634 GPRESSURE: 3663400 -94.7458 176.745 4.15291 47.9072 72.1255 -304.804 -28.6166 -206.522 254.087 PRESSAVG: 3663400 -59.2412 14.1645 26.7349 14.1644 16.9332 -35.5305 26.735 -35.5305 14.7138 GPRESSAVG: 3663400 -60.2788 14.4404 26.859 12.4887 17.0993 -35.6656 26.3499 -33.8788 15.1325 TIMING: 3663400 CPU: 10642.4, 0.00294326/step Wall: 10642.4, 0.00294326/step, 1.09277 hours remaining, 209.429688 MB of memory in use. ENERGY: 3663400 720.7122 2118.7625 1958.9476 114.6013 -206171.7847 17784.4120 0.0000 0.0000 34210.6931 -149263.6559 298.7705 -183474.3490 -149165.8571 299.1546 45.4049 77.1557 557350.2239 -9.1981 -9.3490 PRESSURE: 3663600 8.90647 167.734 -248.999 167.735 17.3755 98.5544 -248.999 98.5556 -2.67907 GPRESSURE: 3663600 110.283 136.316 -231.015 178.417 2.38987 201.766 -219.528 51.7293 17.2324 PRESSAVG: 3663600 47.1213 -57.7845 -31.5475 -57.7844 -41.1264 9.41152 -31.5474 9.41163 -6.51539 GPRESSAVG: 3663600 48.4296 -57.5908 -33.5346 -58.3232 -42.9393 8.20897 -31.149 10.3204 -5.53104 TIMING: 3663600 CPU: 10642.9, 0.00293968/step Wall: 10642.9, 0.00293968/step, 1.09128 hours remaining, 209.429688 MB of memory in use. ENERGY: 3663600 752.4959 2118.6694 1917.0355 120.0969 -206026.0266 17776.8584 0.0000 0.0000 34078.8225 -149262.0480 297.6188 -183340.8704 -149164.6993 298.5963 7.8676 43.3018 557650.8043 -0.1735 -0.0136 PRESSURE: 3663800 -22.4394 128.629 -44.4792 128.629 1.04896 -78.1804 -44.4784 -78.1803 85.292 GPRESSURE: 3663800 40.8701 83.5764 -17.6891 46.6443 38.4571 -94.6837 -41.5148 -44.1487 78.8216 PRESSAVG: 3663800 38.6345 20.2634 43.06 20.2634 -32.3727 -30.9439 43.06 -30.9438 -0.963631 GPRESSAVG: 3663800 37.9422 19.5207 44.7001 20.5078 -30.6387 -31.9028 43.614 -31.515 -1.16194 TIMING: 3663800 CPU: 10643.5, 0.00293384/step Wall: 10643.5, 0.00293384/step, 1.08894 hours remaining, 209.429688 MB of memory in use. ENERGY: 3663800 717.9747 2103.8679 1951.3639 122.7562 -205770.4780 17639.8277 0.0000 0.0000 34038.4844 -149196.2031 297.2666 -183234.6875 -149099.4234 298.3506 21.3005 52.7163 557251.2653 1.7661 2.0472 PRESSURE: 3664000 165.871 -5.02371 -10.3472 -5.02263 323.14 159.85 -10.3479 159.851 -99.5166 GPRESSURE: 3664000 185.243 56.5142 70.1733 55.8006 303.349 77.9488 7.09919 101.444 -7.66106 PRESSAVG: 3664000 42.2081 5.13377 54.1896 5.13368 -35.8264 -29.7777 54.1897 -29.7776 -20.6828 GPRESSAVG: 3664000 42.4611 4.66552 51.9302 7.25184 -36.5519 -27.2451 54.1354 -30.5482 -20.4467 TIMING: 3664000 CPU: 10644.1, 0.00292374/step Wall: 10644.1, 0.00292374/step, 1.08503 hours remaining, 209.429688 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: 3664000 726.6138 2157.7448 1943.9674 115.9257 -206594.9049 18233.7622 0.0000 0.0000 34477.1502 -148939.7407 301.0975 -183416.8909 -148842.1685 300.0754 129.8313 160.3103 557653.5217 -4.7670 -4.8459 PRESSURE: 3664200 -126.724 46.2066 -8.84222 46.2057 62.6669 -138.595 -8.84183 -138.594 -181.155 GPRESSURE: 3664200 -117.48 8.12413 -88.2723 89.4981 125.613 -143.738 -16.4654 -144.686 -157.318 PRESSAVG: 3664200 102.864 -27.4867 24.0589 -27.4867 -59.7531 25.519 24.0587 25.519 -24.4988 GPRESSAVG: 3664200 102.698 -27.2019 23.6769 -28.2567 -58.5688 24.2122 26.1712 27.0714 -25.0975 TIMING: 3664200 CPU: 10644.7, 0.00291162/step Wall: 10644.7, 0.00291162/step, 1.08037 hours remaining, 209.429688 MB of memory in use. ENERGY: 3664200 723.6368 2108.5183 1948.2122 104.6459 -205979.0989 17607.5150 0.0000 0.0000 34288.7625 -149197.8082 299.4523 -183486.5706 -149102.8933 299.6637 -81.7373 -49.7284 557860.8499 6.2042 6.3440 LDB: ============= START OF LOAD BALANCING ============== 10648.2 LDB: ============== END OF LOAD BALANCING =============== 10648.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10648.2 LDB: ============= START OF LOAD BALANCING ============== 10648.5 LDB: Largest compute 4848 load 0.028588 is 24.2% of average load 0.117927 LDB: Average compute 0.001730 is 1.5% of average load 0.117927 LDB: TIME 10648.5 LOAD: AVG 0.117927 MAX 0.187225 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.73 MB LDB: TIME 10648.5 LOAD: AVG 0.117927 MAX 0.187225 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: TIME 10648.5 LOAD: AVG 0.117927 MAX 0.187225 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10648.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10648.5 PRESSURE: 3664400 -20.5093 -82.6773 11.4075 -82.6781 59.5841 -130.918 11.4073 -130.918 -146.358 GPRESSURE: 3664400 24.0627 -133.013 1.18338 47.8134 124.186 -169.895 17.2322 -138.313 -160.99 PRESSAVG: 3664400 85.5393 61.9492 11.9246 61.9491 21.557 -39.5909 11.9246 -39.5909 -33.3738 GPRESSAVG: 3664400 85.1626 60.9381 11.5059 61.8646 20.9486 -40.773 11.2082 -40.4488 -32.7063 TIMING: 3664400 CPU: 10645.3, 0.00298981/step Wall: 10645.3, 0.00298981/step, 1.10922 hours remaining, 207.675781 MB of memory in use. ENERGY: 3664400 728.8107 2074.0057 1962.5698 112.6067 -205878.9486 17644.0519 0.0000 0.0000 34192.5136 -149164.3902 298.6117 -183356.9038 -149072.3832 298.6687 -35.7610 -4.2472 557791.6899 24.5741 24.4683 PRESSURE: 3664600 81.0596 28.5113 75.8453 28.5104 -89.4666 98.3598 75.845 98.359 -318.296 GPRESSURE: 3664600 104.873 81.9668 158.05 50.0464 16.434 54.638 67.411 138.331 -350.007 PRESSAVG: 3664600 65.1725 60.473 11.6793 60.473 46.5894 48.0412 11.6794 48.0412 -56.9863 GPRESSAVG: 3664600 64.2577 62.5264 12.4537 61.0495 47.6804 49.2967 9.01391 48.643 -57.1915 TIMING: 3664600 CPU: 10645.9, 0.00292546/step Wall: 10645.9, 0.00292546/step, 1.08518 hours remaining, 207.746094 MB of memory in use. ENERGY: 3664600 734.6802 2108.9311 1977.6897 122.2969 -205906.1168 17633.6109 0.0000 0.0000 34135.8321 -149193.0759 298.1167 -183328.9080 -149102.3137 299.3450 -108.9011 -76.2335 558328.1149 18.2585 18.2489 PRESSURE: 3664800 -92.6051 239.042 -33.8344 239.042 -63.9257 -80.4262 -33.8352 -80.4259 95.4426 GPRESSURE: 3664800 -21.4502 120.816 -21.7512 316.529 -67.3134 -71.9957 -43.771 -8.16971 119.151 PRESSAVG: 3664800 40.8406 -6.24353 6.17973 -6.24354 55.211 -22.8762 6.17973 -22.8763 -65.7055 GPRESSAVG: 3664800 42.1311 -8.64821 5.44657 -5.11878 54.9239 -24.9273 7.70313 -21.272 -67.1905 TIMING: 3664800 CPU: 10646.5, 0.00293966/step Wall: 10646.5, 0.00293966/step, 1.09029 hours remaining, 207.746094 MB of memory in use. ENERGY: 3664800 763.3211 2083.9169 1943.5160 112.6850 -205954.7691 17694.0315 0.0000 0.0000 34287.9088 -149069.3897 299.4448 -183357.2985 -148975.7984 299.5154 -20.3627 10.1293 557501.8281 10.1154 9.9549 PRESSURE: 3665000 -275.991 -9.27282 -25.8355 -9.27403 -27.4974 -8.31195 -25.8352 -8.3102 -6.45536 GPRESSURE: 3665000 -250.11 3.80131 -33.9577 -67.1479 -27.2987 -52.346 29.8305 7.22419 51.4733 PRESSAVG: 3665000 23.6956 -66.9857 7.27146 -66.9858 -49.9998 -2.83855 7.27155 -2.8386 16.9065 GPRESSAVG: 3665000 23.2717 -65.5288 6.58096 -70.1859 -50.037 1.39981 9.86231 -3.86517 17.838 TIMING: 3665000 CPU: 10647.1, 0.00293395/step Wall: 10647.1, 0.00293395/step, 1.08801 hours remaining, 207.746094 MB of memory in use. ENERGY: 3665000 735.1758 2052.7980 1993.0490 100.4729 -205773.6427 17474.9446 0.0000 0.0000 34391.1333 -149026.0691 300.3463 -183417.2024 -148927.3936 299.7408 -103.3145 -75.3119 557420.1537 -3.1326 -2.9758 PRESSURE: 3665200 -27.4987 -91.9778 -133.346 -91.9774 56.3471 27.9176 -133.345 27.9188 172.477 GPRESSURE: 3665200 -21.672 -37.3995 -76.2586 -121.893 54.9716 32.0689 -159.583 -72.9367 273.03 PRESSAVG: 3665200 -29.6343 -10.8948 10.1095 -10.8948 1.35297 72.1858 10.1095 72.186 59.3241 GPRESSAVG: 3665200 -30.045 -11.8248 14.9477 -9.47883 0.463079 69.1823 6.51737 70.1008 60.1418 TIMING: 3665200 CPU: 10647.6, 0.00295592/step Wall: 10647.6, 0.00295592/step, 1.09599 hours remaining, 207.746094 MB of memory in use. ENERGY: 3665200 751.5090 2075.0165 1945.6245 119.2265 -206270.4195 17862.6970 0.0000 0.0000 34327.1578 -149189.1883 299.7876 -183516.3461 -149094.3932 299.7315 67.1084 102.1100 556708.5174 10.3476 10.1866 PRESSURE: 3665400 -512.086 6.36601 -116.347 6.36629 -116.103 167.931 -116.348 167.931 46.934 GPRESSURE: 3665400 -428.543 -90.3897 -172.786 23.4162 -95.3535 128.039 -137.719 241.402 48.3953 PRESSAVG: 3665400 -26.7139 -5.24312 -21.7042 -5.24307 18.5471 3.58869 -21.7041 3.58873 -42.8113 GPRESSAVG: 3665400 -25.7504 -5.5589 -24.6003 -3.92091 18.9662 4.46336 -21.1416 6.27499 -44.4723 TIMING: 3665400 CPU: 10648.2, 0.00292975/step Wall: 10648.2, 0.00292975/step, 1.08612 hours remaining, 207.746094 MB of memory in use. ENERGY: 3665400 768.3270 2121.2879 1967.3209 110.3591 -205766.8846 17477.5818 0.0000 0.0000 34219.4382 -149102.5696 298.8469 -183322.0078 -149018.1748 299.6466 -193.7518 -158.5003 558600.1313 -16.9927 -17.0855 PRESSURE: 3665600 -145.315 -90.0249 26.2224 -90.0251 -123.221 -28.0928 26.2225 -28.0933 56.3844 GPRESSURE: 3665600 -92.1705 -69.9058 62.5692 -53.4487 -94.9401 -17.4047 27.2043 -59.5437 74.8197 PRESSAVG: 3665600 -39.4721 -9.85983 -3.65375 -9.85989 29.0163 -15.5131 -3.65369 -15.5131 20.9088 GPRESSAVG: 3665600 -39.9768 -7.93401 -3.42107 -11.9651 29.9349 -17.231 -2.64574 -13.66 20.884 TIMING: 3665600 CPU: 10648.8, 0.00290283/step Wall: 10648.8, 0.00290283/step, 1.07598 hours remaining, 207.746094 MB of memory in use. ENERGY: 3665600 752.1786 2105.0845 1946.2070 110.6070 -206002.9543 17844.0646 0.0000 0.0000 34183.7719 -149061.0407 298.5354 -183244.8126 -148964.1279 299.3000 -70.7172 -37.4303 558260.2223 3.4843 3.6140 PRESSURE: 3665800 14.3093 30.0174 -159.983 30.0178 224.253 -13.4451 -159.982 -13.4467 22.9072 GPRESSURE: 3665800 58.4231 -25.1636 -174.576 -34.4157 232.213 -100.177 -41.1717 98.5325 64.5973 PRESSAVG: 3665800 -5.8622 18.0625 -15.5421 18.0625 16.2743 -29.0982 -15.542 -29.0983 1.10224 GPRESSAVG: 3665800 -5.06949 17.7801 -16.797 18.2583 14.3907 -27.936 -14.9186 -29.386 1.87947 TIMING: 3665800 CPU: 10649.4, 0.00291652/step Wall: 10649.4, 0.00291652/step, 1.0809 hours remaining, 207.746094 MB of memory in use. ENERGY: 3665800 717.0515 2096.1081 1981.5349 103.9479 -206038.4860 17843.0083 0.0000 0.0000 34203.7777 -149093.0576 298.7101 -183296.8353 -148992.2499 299.9455 87.1565 118.4112 557997.0410 3.8381 3.7335 PRESSURE: 3666000 -83.738 -93.4802 93.4376 -93.4798 -80.8649 -14.9265 93.4381 -14.9268 30.5695 GPRESSURE: 3666000 -88.1376 -83.5864 99.1921 -36.2951 -40.262 -16.8596 79.3368 21.5818 89.8654 PRESSAVG: 3666000 -26.6714 22.0919 1.91431 22.0918 9.72565 -24.5637 1.91432 -24.5637 12.4934 GPRESSAVG: 3666000 -27.1154 22.203 1.48918 23.9471 9.41756 -23.8187 0.724354 -26.3684 13.0372 TIMING: 3666000 CPU: 10650, 0.00294708/step Wall: 10650, 0.00294708/step, 1.09206 hours remaining, 207.746094 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: 3666000 746.6111 2191.8236 1970.2108 115.2830 -206334.6029 17901.2500 0.0000 0.0000 34460.7445 -148948.6800 300.9543 -183409.4244 -148850.7810 299.9451 -44.6778 -12.8448 557632.8596 -1.4841 -1.5535 PRESSURE: 3666200 53.7299 -6.88437 -9.91044 -6.88471 259.622 54.7068 -9.90999 54.7062 155.745 GPRESSURE: 3666200 71.6351 12.4224 -5.89067 -50.3169 300.055 80.5578 -29.342 79.5819 200.714 PRESSAVG: 3666200 -5.43734 1.5358 18.9767 1.53575 -4.34735 -17.1337 18.9767 -17.1337 33.8966 GPRESSAVG: 3666200 -4.69714 1.11306 18.6041 1.28582 -3.54499 -18.3021 20.3417 -16.8191 32.7205 TIMING: 3666200 CPU: 10650.6, 0.00295835/step Wall: 10650.6, 0.00295835/step, 1.09607 hours remaining, 207.746094 MB of memory in use. ENERGY: 3666200 790.4852 2169.2038 1940.9348 118.4117 -206498.6836 18252.0630 0.0000 0.0000 34345.7554 -148881.8298 299.9500 -183227.5852 -148793.8232 299.9820 156.3657 190.8014 558229.8681 8.0373 8.1594 PRESSURE: 3666400 182.252 56.0159 77.6288 56.015 -7.92623 10.4171 77.6278 10.418 197.544 GPRESSURE: 3666400 182.919 37.6092 2.35771 34.5482 17.3057 20.3328 95.2587 67.2935 284.182 PRESSAVG: 3666400 -6.8135 27.157 -21.2624 27.1571 -38.3037 30.474 -21.2623 30.474 66.5366 GPRESSAVG: 3666400 -7.31761 26.5924 -20.2471 26.337 -37.9068 30.7556 -21.5094 31.6341 66.8147 TIMING: 3666400 CPU: 10651.2, 0.00295355/step Wall: 10651.2, 0.00295355/step, 1.09413 hours remaining, 207.746094 MB of memory in use. ENERGY: 3666400 736.6827 2120.0427 1953.2677 117.9934 -205930.6921 17835.3030 0.0000 0.0000 34433.3405 -148734.0622 300.7149 -183167.4027 -148635.1835 300.8098 123.9566 161.4687 558346.2277 7.1398 7.1968 PRESSURE: 3666600 -245.221 84.166 105.8 84.1658 -135.629 -97.2395 105.802 -97.2386 -321.028 GPRESSURE: 3666600 -221.1 2.89449 86.3837 166.96 -75.8914 -73.1459 122.606 -112.916 -313.576 PRESSAVG: 3666600 -24.8637 62.8708 37.9066 62.8709 36.826 -57.5734 37.9065 -57.5734 -37.0402 GPRESSAVG: 3666600 -24.9997 63.9623 37.31 63.4855 36.4865 -57.8015 38.8462 -58.1195 -36.6875 TIMING: 3666600 CPU: 10651.8, 0.00294263/step Wall: 10651.8, 0.00294263/step, 1.08992 hours remaining, 207.746094 MB of memory in use. ENERGY: 3666600 751.4691 2138.8460 1966.5412 104.3759 -205877.4700 17554.6079 0.0000 0.0000 34383.6071 -148978.0229 300.2806 -183361.6300 -148880.7709 300.3741 -233.9596 -203.5226 558532.2818 -8.3593 -8.4002 PRESSURE: 3666800 114.72 21.1337 32.4274 21.1352 61.696 10.0249 32.4264 10.0244 -295.48 GPRESSURE: 3666800 195.113 61.2462 94.2412 -3.54922 59.2106 -46.709 22.4026 23.7778 -289.428 PRESSAVG: 3666800 18.1045 12.513 63.0072 12.513 -22.1797 1.88591 63.0072 1.88582 13.0984 GPRESSAVG: 3666800 16.9782 11.5489 63.376 11.5871 -21.6617 3.39336 63.9674 1.47497 12.7573 TIMING: 3666800 CPU: 10652.3, 0.00291065/step Wall: 10652.3, 0.00291065/step, 1.07791 hours remaining, 207.746094 MB of memory in use. ENERGY: 3666800 736.2995 2111.3803 1975.2917 115.0521 -205834.8535 17481.9425 0.0000 0.0000 34322.2574 -149092.6301 299.7448 -183414.8875 -148994.1818 299.7914 -39.6879 -11.7015 558081.0889 3.0077 2.6912 PRESSURE: 3667000 9.55737 104.433 -83.7874 104.434 -48.4043 7.58653 -83.7877 7.58782 155.814 GPRESSURE: 3667000 32.5218 57.8916 -167.671 94.3994 -19.2165 -122.021 -57.2713 21.1391 211.563 PRESSAVG: 3667000 39.3567 -57.7016 22.4725 -57.7017 47.3244 -5.89263 22.4726 -5.89264 -61.9136 GPRESSAVG: 3667000 39.9612 -59.4585 23.2181 -56.7301 47.4569 -8.37477 20.3409 -5.93707 -61.6989 TIMING: 3667000 CPU: 10652.9, 0.00293308/step Wall: 10652.9, 0.00293308/step, 1.08606 hours remaining, 207.746094 MB of memory in use. ENERGY: 3667000 760.9482 2162.9360 1953.9869 115.3091 -206238.1331 17901.9461 0.0000 0.0000 34227.4444 -149115.5624 298.9168 -183343.0068 -149017.3629 299.7401 38.9890 74.9560 558230.5811 8.2558 8.5731 PRESSURE: 3667200 -173.526 21.0566 157.422 21.0585 -94.237 -66.3384 157.422 -66.3372 -158.236 GPRESSURE: 3667200 -84.3277 -15.4398 204.748 -11.2934 -140.076 -72.0001 108.335 -29.9609 -118.733 PRESSAVG: 3667200 77.5914 -37.2762 17.3802 -37.2763 -31.2353 -13.558 17.3803 -13.558 -6.01686 GPRESSAVG: 3667200 79.1441 -35.4282 17.2335 -38.0936 -33.0308 -12.3971 17.1894 -13.6504 -6.20816 TIMING: 3667200 CPU: 10653.5, 0.00294586/step Wall: 10653.5, 0.00294586/step, 1.09062 hours remaining, 207.746094 MB of memory in use. ENERGY: 3667200 727.8044 2122.4714 1934.8351 121.3591 -205913.4932 17528.6136 0.0000 0.0000 34245.7741 -149232.6354 299.0769 -183478.4095 -149134.8745 299.0063 -141.9994 -114.3790 556875.7746 13.4464 13.3017 PRESSURE: 3667400 -126.916 14.2823 27.8559 14.2837 -337.295 156.482 27.8548 156.481 -99.9475 GPRESSURE: 3667400 -101.067 -17.7474 60.0368 15.0334 -308.916 162.709 61.0857 147.005 -57.6554 PRESSAVG: 3667400 3.95103 19.1463 15.7738 19.1464 15.2486 9.42803 15.7738 9.42819 -43.8236 GPRESSAVG: 3667400 4.19487 19.6438 16.2483 21.5819 15.5784 9.85254 15.5004 10.6773 -43.9803 TIMING: 3667400 CPU: 10654.1, 0.00293097/step Wall: 10654.1, 0.00293097/step, 1.08495 hours remaining, 207.746094 MB of memory in use. ENERGY: 3667400 756.5931 2104.4252 1956.3779 109.6700 -206257.8394 17471.9826 0.0000 0.0000 34337.5255 -149521.2651 299.8782 -183858.7906 -149424.1980 298.5441 -188.0530 -155.8797 557667.9472 -8.2080 -8.0690 PRESSURE: 3667600 -128.438 -60.8682 -1.08485 -60.8689 -267.652 68.1602 -1.08585 68.16 246.936 GPRESSURE: 3667600 -114.269 -99.5388 -63.5843 -1.12636 -275.374 77.402 67.1118 72.0391 347.026 PRESSAVG: 3667600 -43.0449 -54.6778 9.74529 -54.6778 12.2887 2.85728 9.7452 2.85733 16.3609 GPRESSAVG: 3667600 -44.5308 -53.652 11.1018 -56.1733 12.287 3.5548 8.815 0.540711 17.1612 TIMING: 3667600 CPU: 10654.7, 0.00294502/step Wall: 10654.7, 0.00294502/step, 1.08999 hours remaining, 207.746094 MB of memory in use. ENERGY: 3667600 730.8398 2126.3504 1941.2917 131.5459 -206486.3411 17701.7663 0.0000 0.0000 34175.0749 -149679.4721 298.4594 -183854.5471 -149575.0919 297.7871 -49.7179 -14.2057 557116.7008 -4.7984 -5.0276 PRESSURE: 3667800 186.32 25.3196 17.1727 25.3178 -365.31 201.519 17.1735 201.52 -96.7743 GPRESSURE: 3667800 219.406 52.74 35.1626 41.9735 -321.803 232.535 62.7663 144.88 -72.5616 PRESSAVG: 3667800 -38.5417 52.2122 36.2592 52.2122 18.5605 25.4033 36.2592 25.4033 53.986 GPRESSAVG: 3667800 -38.2848 51.4511 35.6246 52.1626 18.6348 23.3175 37.4169 27.6872 53.106 TIMING: 3667800 CPU: 10655.3, 0.00292691/step Wall: 10655.3, 0.00292691/step, 1.08312 hours remaining, 207.746094 MB of memory in use. ENERGY: 3667800 750.7933 2114.7034 1958.7986 102.5482 -206148.5540 17551.6426 0.0000 0.0000 34219.0166 -149451.0512 298.8432 -183670.0679 -149359.4313 297.7800 -91.9213 -58.3195 558050.2038 11.3349 11.1520 PRESSURE: 3668000 -247.108 131.942 74.2917 131.942 149.554 -81.6063 74.293 -81.606 130.197 GPRESSURE: 3668000 -187.354 1.92108 115.991 178.573 181.268 -93.6101 78.3435 -77.0908 131.663 PRESSAVG: 3668000 63.2795 -11.0468 40.5267 -11.0469 -42.115 -16.807 40.5267 -16.8068 -28.7099 GPRESSAVG: 3668000 63.0207 -12.2587 41.6732 -9.08059 -42.6628 -15.568 42.5055 -15.8523 -27.9128 TIMING: 3668000 CPU: 10655.9, 0.00294688/step Wall: 10655.9, 0.00294688/step, 1.09035 hours remaining, 207.746094 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: 3668000 759.6511 2152.4898 1946.3863 118.5122 -206506.4424 17782.2188 0.0000 0.0000 34212.5285 -149534.6556 298.7865 -183747.1841 -149432.7006 298.2705 10.8809 41.8591 557718.8467 -2.5151 -2.5183 PRESSURE: 3668200 -41.6824 87.1394 137.802 87.1387 -100.873 182.237 137.804 182.238 -172.007 GPRESSURE: 3668200 34.3749 80.17 13.995 132.368 -87.5499 149.844 140.889 125.317 -172.699 PRESSAVG: 3668200 -35.469 40.6308 38.1731 40.6309 12.6713 -1.91772 38.1732 -1.91771 8.04858 GPRESSAVG: 3668200 -36.1469 43.1904 35.1593 38.5147 13.5071 -2.78897 37.7311 -2.50075 7.76134 TIMING: 3668200 CPU: 10656.4, 0.00291807/step Wall: 10656.4, 0.00291807/step, 1.07952 hours remaining, 207.746094 MB of memory in use. ENERGY: 3668200 753.8305 2081.1568 1946.7501 115.2742 -206238.3712 17825.3282 0.0000 0.0000 34204.3007 -149311.7307 298.7147 -183516.0314 -149204.2947 298.8333 -104.8540 -75.2912 560122.5629 -4.9164 -4.9595 LDB: ============= START OF LOAD BALANCING ============== 10659.9 LDB: ============== END OF LOAD BALANCING =============== 10659.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10659.9 LDB: ============= START OF LOAD BALANCING ============== 10660.2 LDB: Largest compute 4820 load 0.030179 is 25.6% of average load 0.117829 LDB: Average compute 0.001732 is 1.5% of average load 0.117829 LDB: TIME 10660.2 LOAD: AVG 0.117829 MAX 0.189005 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 10660.2 LOAD: AVG 0.117829 MAX 0.189005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 10660.2 LOAD: AVG 0.117829 MAX 0.189005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: ============== END OF LOAD BALANCING =============== 10660.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10660.2 PRESSURE: 3668400 77.5427 -225.417 -42.2063 -225.417 -70.5442 -14.966 -42.2064 -14.9671 -18.4991 GPRESSURE: 3668400 144.238 -144.884 -55.6784 -274.343 -69.6609 -46.8841 -1.64865 -39.8184 9.56619 PRESSAVG: 3668400 -0.436393 -11.067 57.5659 -11.0669 67.6887 -14.5114 57.5659 -14.5115 -84.2791 GPRESSAVG: 3668400 0.739717 -12.2578 59.5602 -13.2261 66.4654 -15.4601 58.0228 -13.0997 -85.0246 TIMING: 3668400 CPU: 10657, 0.00297273/step Wall: 10657, 0.00297273/step, 1.09958 hours remaining, 207.355469 MB of memory in use. ENERGY: 3668400 779.5124 2162.3545 1953.0277 116.6086 -206455.4593 17948.6472 0.0000 0.0000 34276.9378 -149218.3710 299.3490 -183495.3088 -149120.3281 298.2841 -3.8335 28.0478 558497.9125 -5.6756 -5.9398 PRESSURE: 3668600 -84.4424 140.043 140.452 140.044 78.3161 97.0863 140.451 97.0868 -201.358 GPRESSURE: 3668600 -62.243 187.24 213.18 146.638 114.527 16.2301 6.02211 83.9881 -169.737 PRESSAVG: 3668600 -9.19971 25.5568 38.508 25.5568 113.521 1.06514 38.508 1.06513 -65.4982 GPRESSAVG: 3668600 -9.86372 24.1474 38.2606 30.2455 114.081 2.88316 35.5018 -1.55505 -65.7959 TIMING: 3668600 CPU: 10657.6, 0.00292669/step Wall: 10657.6, 0.00292669/step, 1.08239 hours remaining, 207.558594 MB of memory in use. ENERGY: 3668600 750.2009 2187.9897 1958.4530 106.5547 -206085.9126 17717.4207 0.0000 0.0000 34176.3214 -149188.9722 298.4703 -183365.2936 -149091.1066 299.5067 -69.1615 -39.1511 558412.2387 12.9409 12.8072 PRESSURE: 3668800 -92.9623 31.0937 -219.864 31.0938 -76.9827 -23.4814 -219.865 -23.4815 -92.1054 GPRESSURE: 3668800 -57.3747 35.4019 -312.385 57.721 -27.9522 -0.182073 -214.874 -79.8347 -89.5458 PRESSAVG: 3668800 -4.7675 58.3251 -6.96027 58.3251 47.7816 -18.9936 -6.96024 -18.9935 -8.06135 GPRESSAVG: 3668800 -5.44893 58.8735 -9.64789 56.2879 47.4388 -19.0731 -5.2725 -17.3627 -6.92974 TIMING: 3668800 CPU: 10658.2, 0.00291463/step Wall: 10658.2, 0.00291463/step, 1.07777 hours remaining, 207.558594 MB of memory in use. ENERGY: 3668800 741.5776 2137.6847 1957.3147 97.8966 -206350.8266 17815.4738 0.0000 0.0000 34480.8419 -149120.0373 301.1298 -183600.8792 -149024.3149 299.3508 -87.3501 -58.2909 559001.2211 11.6509 11.6867 PRESSURE: 3669000 -42.758 -203.483 20.4032 -203.482 -388.794 48.7694 20.403 48.7683 -100.513 GPRESSURE: 3669000 26.9545 -174.34 33.3339 -126.424 -356.496 59.116 16.0134 117.652 -92.628 PRESSAVG: 3669000 2.60818 0.188513 20.4627 0.18843 22.0175 6.92056 20.4627 6.92053 22.9445 GPRESSAVG: 3669000 4.75772 1.75434 23.5653 1.79238 22.6076 9.14927 19.4526 4.87616 20.5382 TIMING: 3669000 CPU: 10658.8, 0.0029105/step Wall: 10658.8, 0.0029105/step, 1.07608 hours remaining, 207.558594 MB of memory in use. ENERGY: 3669000 748.2757 2202.9226 1929.5750 108.8336 -206163.3414 17803.5631 0.0000 0.0000 34210.2376 -149159.9339 298.7665 -183370.1715 -149062.3825 299.6426 -177.3549 -140.7232 559866.5617 15.8567 15.9679 PRESSURE: 3669200 24.2048 -6.4003 -122.062 -6.40095 -127.204 139.833 -122.062 139.834 -180.798 GPRESSURE: 3669200 23.2638 74.1298 -88.2457 -95.0071 -38.1452 177.462 -83.5449 100.795 -173.914 PRESSAVG: 3669200 15.6617 -24.4261 -56.0786 -24.4261 18.3058 28.7067 -56.0786 28.7067 -31.6899 GPRESSAVG: 3669200 14.2971 -23.4211 -57.917 -26.3152 17.6653 28.6802 -54.7608 29.1109 -29.9602 TIMING: 3669200 CPU: 10659.4, 0.00289783/step Wall: 10659.4, 0.00289783/step, 1.07123 hours remaining, 207.558594 MB of memory in use. ENERGY: 3669200 767.3641 2127.0730 1937.4509 112.6069 -206155.2648 17823.6077 0.0000 0.0000 34114.6266 -149272.5356 297.9315 -183387.1622 -149167.8136 299.0520 -94.5994 -62.9320 558191.8631 0.7592 0.6674 PRESSURE: 3669400 276.849 -96.4869 -61.3829 -96.4875 -122.674 -112.585 -61.3815 -112.586 300.145 GPRESSURE: 3669400 241.926 -184.569 0.0795679 -131.085 -15.1905 -174.76 -97.5841 -48.5593 318.997 PRESSAVG: 3669400 -10.7006 -1.70069 -25.9649 -1.70073 30.9006 -28.8882 -25.965 -28.8883 7.609 GPRESSAVG: 3669400 -12.0655 -2.00071 -25.7939 -2.65345 31.1917 -31.1539 -26.7216 -28.9018 8.81979 TIMING: 3669400 CPU: 10660, 0.00291275/step Wall: 10660, 0.00291275/step, 1.07658 hours remaining, 207.558594 MB of memory in use. ENERGY: 3669400 723.9112 2218.9999 1920.1000 115.7391 -206459.2293 18065.7726 0.0000 0.0000 34175.9751 -149238.7313 298.4673 -183414.7064 -149143.9951 298.5776 151.4399 181.9109 558223.1577 9.2697 9.3153 PRESSURE: 3669600 183.406 -53.2379 -37.0239 -53.2374 -177.727 -115.864 -37.0224 -115.866 -31.7502 GPRESSURE: 3669600 251.32 -42.6877 -14.1055 40.4965 -139.216 -65.8943 -58.8074 -165.42 -56.4725 PRESSAVG: 3669600 25.0492 10.8736 -49.7637 10.8736 -60.7307 -31.0266 -49.7636 -31.0266 7.42326 GPRESSAVG: 3669600 27.5076 8.91054 -48.5717 13.763 -60.9066 -30.6474 -50.6519 -29.9515 5.31589 TIMING: 3669600 CPU: 10660.5, 0.00290083/step Wall: 10660.5, 0.00290083/step, 1.07202 hours remaining, 207.558594 MB of memory in use. ENERGY: 3669600 704.8972 2103.8543 1952.0287 115.6322 -206322.3292 17884.0550 0.0000 0.0000 34236.7365 -149325.1253 298.9979 -183561.8618 -149226.7842 299.3680 -8.6904 18.5437 557668.8848 -9.4194 -9.3611 PRESSURE: 3669800 -128.592 22.2795 54.9589 22.2798 -256.777 -120.172 54.9586 -120.172 -100.318 GPRESSURE: 3669800 -87.0684 59.197 -23.654 -34.6946 -210.73 -186.258 52.5498 -24.4365 -100.898 PRESSAVG: 3669800 7.50565 -24.6345 -21.8615 -24.6345 14.4032 -24.363 -21.8615 -24.3629 -3.5855 GPRESSAVG: 3669800 6.48105 -24.8569 -22.2506 -26.2206 14.2562 -23.3709 -23.773 -24.2824 -2.27625 TIMING: 3669800 CPU: 10661.1, 0.00289118/step Wall: 10661.1, 0.00289118/step, 1.06829 hours remaining, 207.558594 MB of memory in use. ENERGY: 3669800 794.3776 2063.9841 1960.8859 118.9134 -206350.5605 17633.8577 0.0000 0.0000 34567.2441 -149211.2977 301.8843 -183778.5418 -149103.3278 299.5840 -161.8954 -132.8990 557811.9859 6.1078 6.1537 PRESSURE: 3670000 96.1783 -32.0001 157.962 -31.9996 156.976 -168.491 157.963 -168.492 -15.218 GPRESSURE: 3670000 114.51 -13.9149 147.314 -66.6557 186.041 -178 169.811 -197.273 33.8023 PRESSAVG: 3670000 -6.43497 22.8825 30.9895 22.8826 46.834 -21.4117 30.9895 -21.4116 -44.245 GPRESSAVG: 3670000 -6.42102 24.83 32.0413 20.1247 46.622 -22.9624 32.9815 -22.1464 -43.705 TIMING: 3670000 CPU: 10661.7, 0.00290094/step Wall: 10661.7, 0.00290094/step, 1.07174 hours remaining, 207.558594 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: 3670000 750.3567 2087.7178 1987.8132 115.5340 -206657.9422 18009.4574 0.0000 0.0000 34290.1440 -149416.9191 299.4644 -183707.0631 -149318.1659 300.2745 79.3122 111.4512 557938.2304 -1.2820 -1.1680 PRESSURE: 3670200 -276.601 -85.1978 67.0529 -85.1978 34.0015 -214.671 67.0522 -214.67 -279.821 GPRESSURE: 3670200 -214.508 -73.9542 22.4572 -65.0416 -43.5044 -274.306 94.0558 -271.023 -176.66 PRESSAVG: 3670200 49.7725 -24.4875 -46.7676 -24.4875 26.6441 -41.2735 -46.7677 -41.2737 -48.4645 GPRESSAVG: 3670200 49.5824 -25.8174 -48.9641 -22.0666 27.7095 -41.7879 -46.0163 -40.0384 -49.7462 TIMING: 3670200 CPU: 10662.3, 0.0029056/step Wall: 10662.3, 0.0029056/step, 1.0733 hours remaining, 207.558594 MB of memory in use. ENERGY: 3670200 756.5459 2115.1213 1988.2430 121.9461 -206215.1305 17601.4472 0.0000 0.0000 34142.7484 -149489.0787 298.1771 -183631.8271 -149395.5426 299.0291 -174.1403 -144.8905 557692.3998 9.3173 9.1819 PRESSURE: 3670400 -33.0881 -111.988 64.4448 -111.987 10.17 -17.7649 64.4446 -17.7649 -67.1049 GPRESSURE: 3670400 -46.0752 -178.766 111.367 -87.5768 85.2128 -54.2836 -10.107 -20.2925 -46.96 PRESSAVG: 3670400 11.819 -28.3688 8.62443 -28.3689 9.8875 -47.6528 8.62437 -47.6528 -38.3242 GPRESSAVG: 3670400 11.4793 -28.3093 11.273 -29.3567 9.36888 -46.0463 7.33496 -49.591 -37.3537 TIMING: 3670400 CPU: 10662.9, 0.00288866/step Wall: 10662.9, 0.00288866/step, 1.06688 hours remaining, 207.558594 MB of memory in use. ENERGY: 3670400 728.5426 2110.1416 1960.4243 120.0207 -206200.8588 17773.8542 0.0000 0.0000 34073.8455 -149434.0299 297.5754 -183507.8755 -149342.0254 299.1204 -30.0077 -2.6074 558264.1382 -5.5392 -5.5019 PRESSURE: 3670600 -58.2936 -111.878 204.262 -111.878 246.933 39.5556 204.261 39.5566 254.709 GPRESSURE: 3670600 11.1954 -98.6444 253.159 -104.459 258.353 -45.7778 216.078 -6.59514 268.442 PRESSAVG: 3670600 -40.677 -47.6961 13.1528 -47.6961 12.5961 -19.2751 13.1527 -19.275 -35.0364 GPRESSAVG: 3670600 -40.382 -47.9939 11.7321 -46.4164 12.2202 -19.9591 13.4131 -18.762 -35.1494 TIMING: 3670600 CPU: 10663.4, 0.00288549/step Wall: 10663.4, 0.00288549/step, 1.06555 hours remaining, 207.558594 MB of memory in use. ENERGY: 3670600 742.1213 2069.5704 1984.1808 125.0927 -206788.0211 18192.8254 0.0000 0.0000 34176.0353 -149498.1951 298.4678 -183674.2305 -149404.6594 298.1797 147.7828 179.3303 556882.4938 -21.0391 -21.1038 PRESSURE: 3670800 -213.567 145.043 -46.7179 145.044 55.5084 157.814 -46.7186 157.814 -58.0532 GPRESSURE: 3670800 -149.789 50.9508 -4.92687 149.834 34.9915 133.253 -75.5496 97.1065 -17.0341 PRESSAVG: 3670800 -11.5281 -91.7523 17.2753 -91.7523 10.8693 68.893 17.2754 68.8932 32.3724 GPRESSAVG: 3670800 -10.7304 -88.592 16.5028 -94.4756 10.2647 71.2017 17.6594 67.7876 32.1419 TIMING: 3670800 CPU: 10664, 0.00291312/step Wall: 10664, 0.00291312/step, 1.07559 hours remaining, 207.761719 MB of memory in use. ENERGY: 3670800 743.7947 2126.3303 1958.9946 118.8035 -206320.3291 17787.0664 0.0000 0.0000 34249.8397 -149335.5000 299.1124 -183585.3396 -149240.6822 299.0011 -72.0374 -43.9439 557596.8851 10.5712 10.5587 PRESSURE: 3671000 182.595 -52.7803 -105.486 -52.7806 -76.3524 -45.4022 -105.486 -45.4027 -45.5118 GPRESSURE: 3671000 233.753 -90.2329 -77.7629 -93.8437 -56.1594 45.1931 -121.881 -120.775 -19.5371 PRESSAVG: 3671000 -33.4474 -42.7619 -49.1439 -42.7619 36.9864 43.3573 -49.144 43.3573 -30.9883 GPRESSAVG: 3671000 -34.5873 -45.1956 -47.3192 -39.4517 38.1243 39.7394 -50.7677 44.2888 -30.7643 TIMING: 3671000 CPU: 10664.6, 0.00290739/step Wall: 10664.6, 0.00290739/step, 1.07331 hours remaining, 207.761719 MB of memory in use. ENERGY: 3671000 775.9915 2140.1853 1935.2302 119.8749 -206519.2462 18001.7459 0.0000 0.0000 34215.1222 -149331.0963 298.8092 -183546.2185 -149242.3876 298.7947 20.2436 52.6853 557515.9550 -9.1498 -9.0758 PRESSURE: 3671200 19.2359 23.5051 137.073 23.5054 -36.8432 60.0129 137.074 60.0135 -96.3556 GPRESSURE: 3671200 51.9186 -11.7601 157.12 85.883 -5.0288 -3.57053 113.987 108.956 -59.5402 PRESSAVG: 3671200 0.667528 4.52733 -43.7945 4.52737 54.3015 -53.187 -43.7945 -53.1869 -56.4965 GPRESSAVG: 3671200 0.667813 4.60695 -43.7583 4.30143 54.0248 -53.6666 -43.776 -53.0373 -55.862 TIMING: 3671200 CPU: 10665.2, 0.00288932/step Wall: 10665.2, 0.00288932/step, 1.06648 hours remaining, 207.761719 MB of memory in use. ENERGY: 3671200 765.9132 2059.7426 1946.6790 106.0760 -206196.3790 17810.2559 0.0000 0.0000 34002.3926 -149505.3197 296.9514 -183507.7123 -149403.6043 298.1609 -37.9876 -4.2168 557456.7858 -0.5092 -0.3898 PRESSURE: 3671400 40.38 8.33735 -48.3107 8.33699 -139.79 -41.2687 -48.3113 -41.2692 -41.9949 GPRESSURE: 3671400 86.4757 -11.3704 -52.9259 19.2976 -109.958 -77.278 -69.5129 -4.84166 -18.3755 PRESSAVG: 3671400 43.0729 -7.27368 -17.9539 -7.27371 -16.1319 -34.7118 -17.9539 -34.7118 -26.336 GPRESSAVG: 3671400 43.8252 -6.26721 -18.1584 -6.96335 -15.7753 -32.8774 -17.6218 -34.4752 -27.1961 TIMING: 3671400 CPU: 10665.8, 0.00291419/step Wall: 10665.8, 0.00291419/step, 1.0755 hours remaining, 207.761719 MB of memory in use. ENERGY: 3671400 770.8729 2080.7714 1963.0838 120.4106 -206405.5608 17789.1077 0.0000 0.0000 34259.5553 -149421.7591 299.1972 -183681.3145 -149318.6295 298.5155 -47.1351 -13.9525 556537.4084 0.2017 0.2846 PRESSURE: 3671600 -95.9423 32.8299 32.2411 32.83 -117.027 -3.99666 32.2407 -3.99704 43.365 GPRESSURE: 3671600 -77.5159 84.3116 50.3934 -59.9516 -61.3627 64.4288 149.064 -54.7211 58.9638 PRESSAVG: 3671600 -62.1422 23.6738 -12.9243 23.6737 93.1913 -7.20931 -12.9243 -7.2094 -55.6933 GPRESSAVG: 3671600 -61.7248 22.6564 -13.823 22.3248 92.6608 -4.70387 -11.7328 -7.92165 -55.9603 TIMING: 3671600 CPU: 10666.3, 0.00291263/step Wall: 10666.3, 0.00291263/step, 1.07476 hours remaining, 207.761719 MB of memory in use. ENERGY: 3671600 748.5990 2115.8792 1922.9003 109.3367 -206593.3071 17823.7905 0.0000 0.0000 34333.3495 -149539.4519 299.8417 -183872.8014 -149442.1850 298.9402 -56.5347 -26.6383 556932.9718 -8.2147 -8.3414 PRESSURE: 3671800 -2.72069 -78.0203 28.3309 -78.0205 -279.2 -100.734 28.3296 -100.735 201.962 GPRESSURE: 3671800 45.942 -123.286 1.00741 -90.7626 -226.694 -137.749 63.1561 -22.4028 183.985 PRESSAVG: 3671800 -40.1989 -9.12288 57.3536 -9.12279 24.7187 15.3515 57.3535 15.3516 48.3394 GPRESSAVG: 3671800 -40.0834 -8.22659 58.9326 -8.99218 25.8957 12.6721 55.5519 16.5889 47.3372 TIMING: 3671800 CPU: 10666.9, 0.0029147/step Wall: 10666.9, 0.0029147/step, 1.07536 hours remaining, 207.761719 MB of memory in use. ENERGY: 3671800 747.4301 2141.0529 1946.6663 117.8653 -206452.0182 17836.8286 0.0000 0.0000 34198.5719 -149463.6031 298.6646 -183662.1750 -149375.8792 298.6785 -26.6526 1.0779 557832.5633 10.9531 11.0498 PRESSURE: 3672000 -185.67 -78.1488 -2.22315 -78.1483 -420.279 34.8246 -2.22302 34.824 -265.28 GPRESSURE: 3672000 -147.78 -92.4709 -49.8866 42.7864 -396.509 57.8166 55.7465 16.638 -218.86 PRESSAVG: 3672000 39.9414 -2.75192 21.1555 -2.75192 16.0596 -1.39064 21.1555 -1.39067 10.7405 GPRESSAVG: 3672000 40.6036 -2.8121 17.1723 -3.16121 14.1163 1.39842 22.4967 -3.79375 11.7412 TIMING: 3672000 CPU: 10667.5, 0.0029023/step Wall: 10667.5, 0.0029023/step, 1.07063 hours remaining, 207.761719 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: 3672000 758.6352 2031.9745 1978.6215 122.4440 -205731.0407 17344.8320 0.0000 0.0000 34162.5681 -149331.9654 298.3502 -183494.5335 -149236.7639 298.7509 -290.4095 -254.3830 558562.0905 22.2472 22.1537 PRESSURE: 3672200 69.518 33.2795 -57.1762 33.2794 -92.2353 45.0879 -57.1779 45.0867 108.962 GPRESSURE: 3672200 138.561 104.94 -56.9936 -86.8961 -31.322 33.8782 -59.8229 128.902 69.9743 PRESSAVG: 3672200 -2.77477 -53.1839 1.1743 -53.1839 -73.6523 -67.7057 1.17427 -67.7055 23.2181 GPRESSAVG: 3672200 -5.39589 -52.2011 3.19302 -53.9625 -70.8614 -69.5341 1.62876 -66.9639 22.7645 TIMING: 3672200 CPU: 10668.1, 0.00291304/step Wall: 10668.1, 0.00291304/step, 1.07443 hours remaining, 207.761719 MB of memory in use. ENERGY: 3672200 721.0787 2121.5999 1953.6819 110.1434 -205972.6216 17657.1464 0.0000 0.0000 34006.9132 -149402.0582 296.9908 -183408.9714 -149314.2748 298.3844 28.7484 59.0711 556059.2307 -17.7363 -17.8309 LDB: ============= START OF LOAD BALANCING ============== 10671.5 LDB: ============== END OF LOAD BALANCING =============== 10671.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10671.6 LDB: ============= START OF LOAD BALANCING ============== 10671.8 LDB: Largest compute 4820 load 0.029709 is 25.2% of average load 0.117819 LDB: Average compute 0.001729 is 1.5% of average load 0.117819 LDB: TIME 10671.8 LOAD: AVG 0.117819 MAX 0.188138 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 10671.8 LOAD: AVG 0.117819 MAX 0.188138 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.969 MB LDB: TIME 10671.8 LOAD: AVG 0.117819 MAX 0.188138 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10671.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10671.9 PRESSURE: 3672400 -14.3772 99.012 -50.7268 99.0122 116.507 -205.266 -50.7262 -205.265 37.662 GPRESSURE: 3672400 43.7456 104.6 10.1643 45.0582 94.9001 -178.98 -74.2648 -222.631 101.98 PRESSAVG: 3672400 19.4349 36.5979 -4.74138 36.5978 -61.4042 -18.1856 -4.74143 -18.1856 30.3794 GPRESSAVG: 3672400 19.7808 34.3928 -4.84106 36.3837 -62.3327 -18.7266 -4.22675 -17.1262 30.4068 TIMING: 3672400 CPU: 10668.7, 0.00298446/step Wall: 10668.7, 0.00298446/step, 1.1006 hours remaining, 205.621094 MB of memory in use. ENERGY: 3672400 739.4296 2095.9212 1959.4716 113.5403 -206539.0390 17819.8850 0.0000 0.0000 34167.3708 -149643.4205 298.3921 -183810.7913 -149540.9010 298.3654 46.5972 80.2087 555068.8603 -3.8633 -4.0484 PRESSURE: 3672600 325.964 155.026 -7.32633 155.027 -87.0111 -65.0449 -7.32666 -65.0448 84.5943 GPRESSURE: 3672600 328.997 153.113 11.3778 131.562 -41.0725 -115.03 66.6354 -49.3681 123.484 PRESSAVG: 3672600 12.1739 21.8419 -23.5012 21.842 -4.13338 -16.1717 -23.5012 -16.1716 24.7628 GPRESSAVG: 3672600 12.4457 21.2023 -25.4174 22.822 -4.2039 -16.8759 -23.1333 -17.7903 24.1382 TIMING: 3672600 CPU: 10669.3, 0.00290199/step Wall: 10669.3, 0.00290199/step, 1.07003 hours remaining, 205.882812 MB of memory in use. ENERGY: 3672600 751.7947 2076.8587 1942.8556 107.0052 -206625.8485 18074.2140 0.0000 0.0000 34025.3249 -149647.7955 297.1516 -183673.1203 -149547.8007 298.4405 107.8490 137.1362 556300.9117 10.9344 10.7933 PRESSURE: 3672800 -233.549 144.47 85.0234 144.471 -130.249 -4.88476 85.0248 -4.88493 -79.308 GPRESSURE: 3672800 -195.951 195.938 121.949 79.2321 -44.4825 -1.57353 78.307 -49.7183 -95.0999 PRESSAVG: 3672800 5.61083 -21.3908 -16.7128 -21.3909 -60.2716 31.495 -16.7128 31.4949 43.0892 GPRESSAVG: 3672800 5.36857 -20.4285 -16.1447 -20.4115 -59.9848 32.008 -16.3589 32.1971 42.7235 TIMING: 3672800 CPU: 10669.8, 0.00290769/step Wall: 10669.8, 0.00290769/step, 1.07197 hours remaining, 205.882812 MB of memory in use. ENERGY: 3672800 772.4188 2091.4877 1947.4171 135.4158 -206310.6215 17692.2465 0.0000 0.0000 34041.3502 -149630.2855 297.2916 -183671.6357 -149536.2728 298.1108 -147.7019 -111.8446 556822.5035 -3.8572 -3.9642 PRESSURE: 3673000 -192.639 1.5555 35.888 1.55607 30.5319 95.5426 35.8868 95.5421 166.338 GPRESSURE: 3673000 -129.599 38.074 44.7394 -27.7381 62.9082 84.1888 81.096 81.491 164.7 PRESSAVG: 3673000 -18.1418 62.0749 -52.1484 62.0749 12.9786 23.2133 -52.1484 23.2134 5.35717 GPRESSAVG: 3673000 -18.0794 61.6347 -49.4848 60.977 13.1041 23.5137 -53.1247 21.9035 5.07225 TIMING: 3673000 CPU: 10670.4, 0.00291009/step Wall: 10670.4, 0.00291009/step, 1.07269 hours remaining, 205.882812 MB of memory in use. ENERGY: 3673000 744.4455 2053.7472 1941.5598 135.1207 -206505.8884 17733.4898 0.0000 0.0000 34170.1046 -149727.4207 298.4160 -183897.5253 -149633.2545 297.0813 1.4103 32.6699 556309.9122 0.0646 0.0323 PRESSURE: 3673200 132.787 -121.572 111.392 -121.572 10.7399 126.298 111.391 126.299 190.526 GPRESSURE: 3673200 150.44 -97.4683 39.967 -134.678 70.8911 140.63 175.764 149.157 219.563 PRESSAVG: 3673200 8.53843 17.773 23.6144 17.773 39.9594 -0.655959 23.6144 -0.655967 -13.0652 GPRESSAVG: 3673200 8.76692 18.5794 20.8207 18.4427 39.5404 0.739104 23.6803 1.8921 -13.058 TIMING: 3673200 CPU: 10671, 0.00292503/step Wall: 10671, 0.00292503/step, 1.07803 hours remaining, 205.882812 MB of memory in use. ENERGY: 3673200 708.0877 2132.1800 1943.1955 111.5735 -206704.4174 18020.4053 0.0000 0.0000 34052.2377 -149736.7376 297.3867 -183788.9753 -149641.6263 298.3687 111.3510 146.9647 555991.6738 11.8109 11.7498 PRESSURE: 3673400 48.6734 157.877 -100.675 157.876 57.7622 -172.646 -100.676 -172.646 -290.631 GPRESSURE: 3673400 80.1004 140.838 -82.4182 190.515 25.6479 -127.532 -162.61 -223.999 -198.123 PRESSAVG: 3673400 7.57106 -8.20744 37.0345 -8.20751 11.5127 -27.3814 37.0346 -27.3814 -20.786 GPRESSAVG: 3673400 6.84994 -9.43893 36.6557 -7.46423 11.036 -27.9351 37.697 -29.0696 -19.7183 TIMING: 3673400 CPU: 10671.6, 0.0029244/step Wall: 10671.6, 0.0029244/step, 1.07764 hours remaining, 205.882812 MB of memory in use. ENERGY: 3673400 748.0626 2145.8450 1930.7337 118.2805 -206331.2179 17769.1167 0.0000 0.0000 33861.5096 -149757.6699 295.7210 -183619.1794 -149660.5953 297.9519 -61.3986 -30.7914 555938.5958 -0.5674 -0.6108 PRESSURE: 3673600 -205.217 -3.6204 -1.06239 -3.62169 68.0859 -67.0008 -1.06316 -67.0028 37.1181 GPRESSURE: 3673600 -142.982 22.5718 -17.2266 40.2883 115.709 -116.366 -13.8065 37.9451 25.0764 PRESSAVG: 3673600 -85.7463 -33.6951 55.1748 -33.6951 29.9018 4.58356 55.1747 4.58357 43.2147 GPRESSAVG: 3673600 -86.1738 -31.2171 55.4624 -34.8122 30.8829 4.24937 54.0414 5.02063 42.8204 TIMING: 3673600 CPU: 10672.2, 0.00293028/step Wall: 10672.2, 0.00293028/step, 1.07965 hours remaining, 205.882812 MB of memory in use. ENERGY: 3673600 708.1107 2108.6046 1951.6294 101.8145 -206445.8348 17697.3473 0.0000 0.0000 34080.5752 -149797.7531 297.6341 -183878.3284 -149697.2163 297.8565 -33.3378 -0.7323 556560.6295 -4.2100 -4.1569 PRESSURE: 3673800 124.651 27.6688 55.9537 27.6681 -163.316 -95.6616 55.9542 -95.6606 44.4037 GPRESSURE: 3673800 104.757 10.0351 73.7511 -88.4353 -119.792 -91.4021 94.9277 -95.9601 114.171 PRESSAVG: 3673800 14.9813 -15.6178 43.2262 -15.6178 31.4811 -3.22938 43.2262 -3.22932 -64.198 GPRESSAVG: 3673800 14.5335 -14.8881 43.9778 -17.2686 33.0039 -2.11807 43.9268 -4.09031 -65.2466 TIMING: 3673800 CPU: 10672.8, 0.0029152/step Wall: 10672.8, 0.0029152/step, 1.07393 hours remaining, 205.882812 MB of memory in use. ENERGY: 3673800 743.5803 2069.0912 1956.9818 113.4905 -206522.7044 17936.6997 0.0000 0.0000 33869.6186 -149833.2423 295.7918 -183702.8609 -149737.6111 297.7676 1.9129 33.0456 558092.4446 -5.9119 -5.9031 PRESSURE: 3674000 -243.168 -22.7625 -57.2351 -22.7636 202.803 -70.7324 -57.2348 -70.7327 -111.437 GPRESSURE: 3674000 -168.585 -85.4005 -133.122 40.4855 207.388 -7.81568 28.4982 -121.135 -80.511 PRESSAVG: 3674000 12.3091 37.6124 -3.93919 37.6125 -18.0883 -46.8242 -3.93914 -46.8241 -8.57051 GPRESSAVG: 3674000 14.3549 34.0482 -3.61805 39.3396 -19.58 -47.2698 -4.38854 -46.6766 -9.35223 TIMING: 3674000 CPU: 10673.3, 0.00291089/step Wall: 10673.3, 0.00291089/step, 1.07218 hours remaining, 205.882812 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: 3674000 766.9998 2081.0384 1959.5172 107.1087 -206562.2538 17973.7721 0.0000 0.0000 34020.1687 -149653.6488 297.1066 -183673.8176 -149556.5875 297.5296 -50.6007 -13.9027 556349.7480 -4.7832 -4.8591 PRESSURE: 3674200 64.0393 -92.1367 -126.761 -92.1362 208.828 -156.872 -126.761 -156.87 221.322 GPRESSURE: 3674200 141.255 -63.6244 -208.465 -66.8777 207.473 -206.2 -138.67 -75.7035 230.517 PRESSAVG: 3674200 45.0198 26.0386 -47.192 26.0387 -29.6301 -50.4382 -47.192 -50.4381 -10.5133 GPRESSAVG: 3674200 44.2206 26.8582 -48.8328 26.465 -29.8654 -51.6218 -46.5816 -48.5637 -9.54749 TIMING: 3674200 CPU: 10673.9, 0.00290756/step Wall: 10673.9, 0.00290756/step, 1.07079 hours remaining, 205.882812 MB of memory in use. ENERGY: 3674200 738.9625 2088.1883 1971.5069 116.6881 -206710.3667 18087.3063 0.0000 0.0000 34197.5081 -149510.2065 298.6553 -183707.7146 -149409.7776 298.2179 164.7297 193.0818 556933.9115 1.6254 1.6026 PRESSURE: 3674400 -191.553 -103.091 -175.986 -103.093 83.1135 -11.3991 -175.986 -11.3973 -222.745 GPRESSURE: 3674400 -165.832 -76.7174 -214.743 -72.2772 82.7737 -49.369 -113.25 46.6705 -152.434 PRESSAVG: 3674400 -12.1029 -36.2747 -24.2752 -36.2747 23.922 -4.06907 -24.2752 -4.069 -12.2943 GPRESSAVG: 3674400 -10.9021 -34.0901 -24.0641 -36.6245 23.4674 -2.31512 -24.5108 -7.13202 -12.728 TIMING: 3674400 CPU: 10674.5, 0.00293019/step Wall: 10674.5, 0.00293019/step, 1.07896 hours remaining, 205.882812 MB of memory in use. ENERGY: 3674400 730.2683 2136.0998 1954.7465 108.7559 -206244.1812 17588.9972 0.0000 0.0000 34107.5218 -149617.7917 297.8695 -183725.3135 -149516.3032 297.8593 -110.3947 -78.4974 557193.5538 -0.1584 -0.0542 PRESSURE: 3674600 -177.937 -48.0528 -128.918 -48.054 -168.866 -89.6213 -128.918 -89.6208 -116.02 GPRESSURE: 3674600 -129.103 -29.0652 -127.99 13.6608 -142.287 -112.915 -67.8924 -92.2253 -99.9124 PRESSAVG: 3674600 -65.1803 -63.1741 -68.5865 -63.1741 17.868 -17.7691 -68.5865 -17.769 37.211 GPRESSAVG: 3674600 -66.0935 -63.8333 -66.28 -63.2916 17.9564 -18.2664 -69.4853 -17.5277 37.5695 TIMING: 3674600 CPU: 10675.1, 0.00293516/step Wall: 10675.1, 0.00293516/step, 1.08063 hours remaining, 205.882812 MB of memory in use. ENERGY: 3674600 742.5148 2123.5779 1957.4427 104.6233 -206225.2879 17614.1113 0.0000 0.0000 34188.6110 -149494.4068 298.5776 -183683.0178 -149399.8129 298.5157 -154.2745 -123.7677 557594.6401 -3.3671 -3.5225 PRESSURE: 3674800 187.475 -45.2359 -214.209 -45.2368 -36.6945 19.2353 -214.21 19.235 -107.888 GPRESSURE: 3674800 222.13 -9.97912 -228.755 -96.0941 45.9878 36.277 -240.264 35.8213 -123.074 PRESSAVG: 3674800 -43.8349 1.209 -61.0392 1.20904 60.3438 5.73538 -61.0392 5.7354 -10.6932 GPRESSAVG: 3674800 -44.8055 1.97002 -63.1023 1.85123 61.1664 5.38612 -60.6953 9.17654 -10.3726 TIMING: 3674800 CPU: 10675.7, 0.00293367/step Wall: 10675.7, 0.00293367/step, 1.07992 hours remaining, 205.882812 MB of memory in use. ENERGY: 3674800 751.0145 2106.4323 1946.7632 113.9389 -206073.7855 17656.7098 0.0000 0.0000 33992.4277 -149506.4992 296.8643 -183498.9269 -149415.7663 299.0379 14.2975 48.3479 556513.5853 1.9386 1.9961 PRESSURE: 3675000 -37.2746 -55.5023 173.771 -55.5013 145.704 57.8075 173.77 57.8066 -16.7834 GPRESSURE: 3675000 -24.0486 17.4236 186.326 -82.5296 196.012 119.942 152.835 12.8456 7.37928 PRESSAVG: 3675000 -36.8745 -30.698 -45.6278 -30.6979 75.7092 -1.8813 -45.6279 -1.88131 -53.8332 GPRESSAVG: 3675000 -35.6662 -30.9247 -45.9337 -31.3692 76.5065 -1.75599 -45.4866 -2.51589 -55.9389 TIMING: 3675000 CPU: 10676.3, 0.00293996/step Wall: 10676.3, 0.00293996/step, 1.08207 hours remaining, 205.882812 MB of memory in use. ENERGY: 3675000 747.3652 2086.2710 1937.1608 102.7316 -206429.5101 17976.0154 0.0000 0.0000 34194.6026 -149385.3634 298.6300 -183579.9661 -149281.0758 297.6808 30.5485 59.7808 557524.4784 -4.9995 -5.0329 PRESSURE: 3675200 -325.218 18.5113 -154.29 18.5108 48.187 137.604 -154.29 137.604 -23.7739 GPRESSURE: 3675200 -240.305 -40.4514 -217.933 89.9764 15.2279 53.86 -55.8706 133.511 3.94386 PRESSAVG: 3675200 -53.6275 11.3625 -52.6205 11.3624 17.3233 3.01588 -52.6205 3.01599 40.886 GPRESSAVG: 3675200 -54.6853 9.9125 -50.315 12.1339 16.2882 2.12077 -53.5285 0.717486 42.6771 TIMING: 3675200 CPU: 10676.9, 0.00294093/step Wall: 10676.9, 0.00294093/step, 1.08226 hours remaining, 206.097656 MB of memory in use. ENERGY: 3675200 748.4531 2082.5407 1958.2757 115.1336 -206293.6106 17736.3398 0.0000 0.0000 34218.8077 -149434.0601 298.8414 -183652.8678 -149335.8825 298.5692 -100.2683 -73.7111 558725.3455 1.5272 1.4267 PRESSURE: 3675400 36.0022 67.5774 82.8469 67.5762 74.2384 146.83 82.8476 146.83 -134.265 GPRESSURE: 3675400 86.8136 -35.7137 132.363 135.01 71.6269 126.814 125.373 170.295 -75.4278 PRESSAVG: 3675400 -7.73393 7.08626 -37.5353 7.08626 18.7369 -21.866 -37.5353 -21.8661 -25.3138 GPRESSAVG: 3675400 -7.1329 7.86426 -42.6537 6.08902 17.8358 -19.4186 -34.7981 -22.135 -24.6087 TIMING: 3675400 CPU: 10677.4, 0.00292482/step Wall: 10677.4, 0.00292482/step, 1.07617 hours remaining, 206.097656 MB of memory in use. ENERGY: 3675400 771.6752 2120.9414 1953.5179 110.7621 -206463.4662 17862.7425 0.0000 0.0000 34087.8838 -149555.9431 297.6980 -183643.8270 -149461.0997 298.4110 -8.0082 27.6709 557043.8606 -4.7703 -4.6353 PRESSURE: 3675600 378.723 -55.8655 -238.192 -55.8651 -129.996 1.34487 -238.193 1.34472 159.871 GPRESSURE: 3675600 344.007 -126.744 -141.399 49.6002 -86.4265 -38.9328 -246.911 35.4319 254.177 PRESSAVG: 3675600 16.7216 2.92411 7.32758 2.92403 -54.6306 -19.9822 7.32755 -19.9821 70.1901 GPRESSAVG: 3675600 16.3185 0.729908 12.5118 6.23597 -54.3094 -20.9724 4.23924 -18.1133 69.7766 TIMING: 3675600 CPU: 10678, 0.00292818/step Wall: 10678, 0.00292818/step, 1.07724 hours remaining, 206.097656 MB of memory in use. ENERGY: 3675600 774.7461 2114.9835 1965.1426 132.4265 -206737.8782 18161.0492 0.0000 0.0000 34108.0673 -149481.4630 297.8742 -183589.5303 -149387.0857 298.3236 136.1992 170.5857 557001.4278 10.7604 10.5952 PRESSURE: 3675800 -39.3738 -19.1111 49.03 -19.1104 131.674 46.036 49.03 46.0377 299.149 GPRESSURE: 3675800 -15.696 71.1129 49.6552 -61.7515 191.001 42.1645 0.98468 -28.238 317.411 PRESSAVG: 3675800 87.581 -8.95698 -37.8628 -8.95697 -82.9497 -17.2265 -37.8628 -17.2263 2.71067 GPRESSAVG: 3675800 88.1666 -7.68669 -38.8865 -11.3929 -83.08 -18.1 -38.3062 -16.228 2.5229 TIMING: 3675800 CPU: 10678.6, 0.00292741/step Wall: 10678.6, 0.00292741/step, 1.0768 hours remaining, 206.097656 MB of memory in use. ENERGY: 3675800 760.5592 2070.0774 2004.9175 112.7470 -206480.0924 17938.9060 0.0000 0.0000 34276.8693 -149316.0160 299.3484 -183592.8852 -149225.4419 298.5911 130.4831 164.2387 556855.3771 2.4473 2.5365 PRESSURE: 3676000 -153.01 -110.003 107.635 -110.004 -36.1154 25.0502 107.635 25.0498 -45.3364 GPRESSURE: 3676000 -107.753 -67.9647 58.4104 -95.7603 -51.5091 -6.08453 140.827 71.6213 15.2343 PRESSAVG: 3676000 48.3095 -34.9032 52.0461 -34.9033 -4.37482 -6.80392 52.046 -6.80393 4.43914 GPRESSAVG: 3676000 49.2978 -35.5543 51.5421 -35.1843 -4.04228 -5.97284 53.5228 -7.31166 3.65307 TIMING: 3676000 CPU: 10679.2, 0.00294168/step Wall: 10679.2, 0.00294168/step, 1.08188 hours remaining, 206.097656 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: 3676000 766.1183 2064.7692 1967.2335 111.8443 -206105.0152 17880.9286 0.0000 0.0000 34087.7600 -149226.3611 297.6969 -183314.1211 -149126.0251 298.8936 -78.1539 -48.0092 559760.1805 16.1246 16.3029 PRESSURE: 3676200 -142.221 -69.6291 6.0631 -69.6306 7.17983 -133.468 6.06218 -133.469 10.0422 GPRESSURE: 3676200 -80.7424 -45.835 18.9556 -61.7568 -5.12042 -221.861 -41.4096 -116.182 48.2208 PRESSAVG: 3676200 -63.1207 -64.8083 20.1579 -64.8084 27.344 -60.2798 20.158 -60.2798 3.12852 GPRESSAVG: 3676200 -63.431 -63.4152 20.5593 -63.4542 26.8736 -62.517 19.8153 -61.5464 3.84659 TIMING: 3676200 CPU: 10679.8, 0.00291409/step Wall: 10679.8, 0.00291409/step, 1.07158 hours remaining, 206.097656 MB of memory in use. ENERGY: 3676200 784.6180 2235.6791 1957.5523 117.4689 -206193.0294 17775.0167 0.0000 0.0000 34218.0512 -149104.6433 298.8348 -183322.6945 -149010.6248 298.4328 -41.6664 -12.5474 557576.0659 -10.8827 -10.9036 LDB: ============= START OF LOAD BALANCING ============== 10683.3 LDB: ============== END OF LOAD BALANCING =============== 10683.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10683.3 LDB: ============= START OF LOAD BALANCING ============== 10683.6 LDB: Largest compute 4820 load 0.031071 is 26.4% of average load 0.117767 LDB: Average compute 0.001734 is 1.5% of average load 0.117767 LDB: TIME 10683.6 LOAD: AVG 0.117767 MAX 0.185318 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.062 MB LDB: TIME 10683.6 LOAD: AVG 0.117767 MAX 0.185318 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: TIME 10683.6 LOAD: AVG 0.117767 MAX 0.185318 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10683.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10683.6 PRESSURE: 3676400 191.979 -40.2162 -82.23 -40.2171 -235.496 27.5672 -82.23 27.5681 135.575 GPRESSURE: 3676400 162.494 -104.555 -173.152 60.8701 -210.618 -3.81849 -17.0423 45.4122 233.74 PRESSAVG: 3676400 -31.5592 9.91868 1.69708 9.91873 7.20016 -9.67742 1.69708 -9.67743 24.271 GPRESSAVG: 3676400 -31.1224 9.92481 0.71308 9.66057 7.63168 -5.98215 2.17635 -9.42309 23.4319 TIMING: 3676400 CPU: 10680.4, 0.00299493/step Wall: 10680.4, 0.00299493/step, 1.10114 hours remaining, 206.867188 MB of memory in use. ENERGY: 3676400 707.8009 2131.2537 1983.6620 110.5124 -205989.9434 17657.8691 0.0000 0.0000 34355.5880 -149043.2572 300.0359 -183398.8452 -148943.4506 299.3320 30.6859 61.8724 555934.3395 -0.0294 -0.0196 PRESSURE: 3676600 -89.9691 -10.7552 12.457 -10.7538 -135.428 -11.9767 12.4565 -11.9767 334.203 GPRESSURE: 3676600 -85.4313 -15.2341 -54.8727 67.1232 -110.974 20.0676 -19.4976 -51.7757 391.709 PRESSAVG: 3676600 -32.9134 24.9665 -18.2555 24.9665 -11.7813 -90.7998 -18.2554 -90.7999 81.3631 GPRESSAVG: 3676600 -35.062 24.5043 -16.7773 26.7972 -10.833 -90.8422 -21.0205 -91.4991 82.042 TIMING: 3676600 CPU: 10681, 0.00294259/step Wall: 10681, 0.00294259/step, 1.08173 hours remaining, 206.937500 MB of memory in use. ENERGY: 3676600 769.0921 2150.6037 1965.7467 109.9180 -205970.3092 17595.2586 0.0000 0.0000 34258.9943 -149120.6958 299.1923 -183379.6901 -149020.7425 299.5057 36.2686 65.1011 555319.4314 12.2228 12.0490 PRESSURE: 3676800 -60.1423 104.483 117.446 104.482 -373.201 31.7705 117.446 31.769 -151.555 GPRESSURE: 3676800 -68.2033 83.7889 121.374 84.6841 -297.065 6.89355 141.985 111.304 -116.448 PRESSAVG: 3676800 -22.3748 60.313 30.6814 60.313 -64.612 26.4097 30.6813 26.4099 75.4594 GPRESSAVG: 3676800 -20.2229 60.5794 27.8833 57.8133 -65.3866 24.9945 33.2099 26.8552 74.4311 TIMING: 3676800 CPU: 10681.6, 0.00293932/step Wall: 10681.6, 0.00293932/step, 1.08036 hours remaining, 206.937500 MB of memory in use. ENERGY: 3676800 745.0983 2197.1900 2007.0975 122.4087 -206031.9473 17577.2967 0.0000 0.0000 34194.9479 -149187.9082 298.6330 -183382.8561 -149086.8405 299.4000 -194.9661 -160.5722 557461.8575 -3.8425 -3.7261 PRESSURE: 3677000 -289.265 99.2089 95.307 99.2088 69.0164 6.39105 95.3058 6.39063 -322.489 GPRESSURE: 3677000 -278.637 201.891 148.993 53.326 93.3367 79.1184 1.00871 -21.5658 -265.327 PRESSAVG: 3677000 -10.085 30.5596 32.9009 30.5597 -7.64916 19.6535 32.901 19.6534 33.7425 GPRESSAVG: 3677000 -11.029 32.4098 34.4272 29.9101 -7.47158 19.4459 30.4421 19.3253 34.8474 TIMING: 3677000 CPU: 10682.1, 0.00293537/step Wall: 10682.1, 0.00293537/step, 1.07875 hours remaining, 206.937500 MB of memory in use. ENERGY: 3677000 752.8798 2184.5745 1987.6201 125.7196 -205757.6372 17469.8635 0.0000 0.0000 34115.9743 -149121.0054 297.9433 -183236.9797 -149030.0270 298.9630 -180.9128 -150.2089 557699.6529 5.3361 5.4490 PRESSURE: 3677200 -68.9695 -149.281 -5.73202 -149.282 -92.0575 -90.4465 -5.73286 -90.4455 -122.517 GPRESSURE: 3677200 -22.9134 -91.4958 71.4931 -137.929 -23.4845 -84.9078 -61.3607 -82.9729 -126.677 PRESSAVG: 3677200 -24.9335 -3.45529 -1.77301 -3.45528 20.2113 -29.517 -1.77297 -29.5168 12.2303 GPRESSAVG: 3677200 -24.9883 -5.18129 -1.82394 -3.88245 20.4863 -29.646 -1.37742 -30.3038 12.2361 TIMING: 3677200 CPU: 10682.7, 0.00294352/step Wall: 10682.7, 0.00294352/step, 1.08158 hours remaining, 206.937500 MB of memory in use. ENERGY: 3677200 724.5727 2098.1198 1969.3400 107.7331 -205690.0044 17413.9745 0.0000 0.0000 34283.4548 -149092.8094 299.4059 -183376.2642 -148995.5796 299.2818 -94.5145 -57.6918 556860.9482 2.5027 2.5781 PRESSURE: 3677400 287.614 -108.564 -244.597 -108.564 46.2698 -1.32789 -244.596 -1.32623 -438.288 GPRESSURE: 3677400 321.167 -131.485 -164.985 -68.0327 91.6082 -32.9775 -241.497 57.0357 -432.029 PRESSAVG: 3677400 12.7657 -39.3031 -72.7265 -39.3031 77.7979 59.7636 -72.7265 59.7637 -75.7997 GPRESSAVG: 3677400 12.5771 -40.8327 -73.292 -35.6933 78.4138 62.5589 -71.113 59.9206 -76.398 TIMING: 3677400 CPU: 10683.3, 0.00295589/step Wall: 10683.3, 0.00295589/step, 1.08596 hours remaining, 206.937500 MB of memory in use. ENERGY: 3677400 770.7810 2144.3839 1950.9812 117.9238 -206155.3895 17756.4025 0.0000 0.0000 34268.2087 -149146.7084 299.2728 -183414.9171 -149051.3887 299.1749 -34.8012 -6.4180 557814.6917 4.9213 4.8643 PRESSURE: 3677600 114.004 -183.236 -18.036 -183.234 192.46 108.385 -18.0367 108.385 48.0553 GPRESSURE: 3677600 159.051 -142.37 51.9737 -130.47 181.748 128.236 -33.6229 118.6 105.126 PRESSAVG: 3677600 25.5152 9.90048 15.5712 9.90055 51.6652 26.727 15.5712 26.7269 -85.1975 GPRESSAVG: 3677600 25.7989 9.28662 16.1974 9.13981 50.6038 25.9983 13.4136 28.9662 -84.4118 TIMING: 3677600 CPU: 10683.9, 0.00290325/step Wall: 10683.9, 0.00290326/step, 1.06646 hours remaining, 206.937500 MB of memory in use. ENERGY: 3677600 743.9923 2129.9152 1953.7038 106.2069 -206501.2521 17941.9090 0.0000 0.0000 34458.4917 -149167.0330 300.9346 -183625.5248 -149072.0866 299.2411 118.1734 148.6419 556474.4155 -2.6723 -2.6697 PRESSURE: 3677800 -20.5858 -27.8643 -29.1468 -27.8642 95.0139 151.906 -29.1467 151.906 133.049 GPRESSURE: 3677800 -2.07083 -29.4065 65.1986 -28.1947 141.618 163.68 -66.9519 134.394 156.919 PRESSAVG: 3677800 -1.38369 35.4048 -18.9808 35.4047 10.1553 27.2286 -18.9809 27.2287 -5.19252 GPRESSAVG: 3677800 -2.46915 37.5805 -17.6903 33.1993 11.7432 26.9745 -19.6273 27.1425 -5.69317 TIMING: 3677800 CPU: 10684.5, 0.00291078/step Wall: 10684.5, 0.00291078/step, 1.06907 hours remaining, 206.937500 MB of memory in use. ENERGY: 3677800 751.2857 2179.8311 1937.6794 118.2117 -206222.5105 17964.1088 0.0000 0.0000 34052.2694 -149219.1244 297.3869 -183271.3938 -149125.1752 298.9509 69.1590 98.8221 558906.6517 1.1930 1.1936 PRESSURE: 3678000 72.0875 -24.1123 -3.36666 -24.1119 -84.5961 71.08 -3.36708 71.0814 -214.216 GPRESSURE: 3678000 84.0444 -68.8725 -106.698 70.3422 -53.8497 74.1269 50.3205 61.4073 -158.141 PRESSAVG: 3678000 -11.6261 43.0438 -21.0773 43.0438 33.7607 39.4569 -21.0773 39.4568 22.7751 GPRESSAVG: 3678000 -10.9311 43.1812 -22.2568 44.4281 32.1984 40.432 -17.7997 38.7543 23.3893 TIMING: 3678000 CPU: 10685.1, 0.0029218/step Wall: 10685.1, 0.0029218/step, 1.07295 hours remaining, 206.937500 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: 3678000 770.1212 2178.3124 1943.9727 109.1716 -206295.8093 17864.2738 0.0000 0.0000 34256.6700 -149173.2875 299.1720 -183429.9575 -149070.4004 298.5771 -75.5747 -42.6487 559663.0776 14.9699 14.8855 PRESSURE: 3678200 160.084 84.0284 -25.4074 84.0278 -84.4183 -94.5948 -25.4071 -94.5932 -114.691 GPRESSURE: 3678200 144.557 102.186 -56.7817 142.378 -53.9095 -176.268 -6.66877 -70.4337 -35.758 PRESSAVG: 3678200 -1.32365 -7.56042 -13.6415 -7.56041 -0.830822 15.64 -13.6415 15.64 20.6074 GPRESSAVG: 3678200 -0.456162 -8.26904 -14.0915 -7.55293 -0.811632 14.6932 -13.2305 13.6365 19.7809 TIMING: 3678200 CPU: 10685.7, 0.00290176/step Wall: 10685.7, 0.00290176/step, 1.06543 hours remaining, 206.937500 MB of memory in use. ENERGY: 3678200 734.8539 2154.4672 1946.5071 108.4815 -206189.8693 17917.5981 0.0000 0.0000 34052.0646 -149275.8971 297.3851 -183327.9617 -149178.4568 298.2297 -13.0085 18.2964 558482.6455 6.1510 6.1710 PRESSURE: 3678400 -93.3622 121.926 -127.589 121.926 -49.6655 -79.5921 -127.591 -79.5935 62.8725 GPRESSURE: 3678400 -62.2225 65.7744 -84.728 160.985 -17.3755 -59.6446 -115.699 -83.3648 93.8835 PRESSAVG: 3678400 39.849 -21.5328 -44.9248 -21.5329 -19.7327 -2.98549 -44.9249 -2.98551 -10.5139 GPRESSAVG: 3678400 38.4689 -24.3149 -43.625 -19.9265 -19.7539 -1.48537 -47.2599 -0.303364 -9.31788 TIMING: 3678400 CPU: 10686.2, 0.00290703/step Wall: 10686.2, 0.00290703/step, 1.0672 hours remaining, 206.937500 MB of memory in use. ENERGY: 3678400 755.5016 2126.8576 1960.3103 122.4084 -206039.0445 17669.5629 0.0000 0.0000 34091.1016 -149313.3021 297.7261 -183404.4037 -149221.8533 297.8744 -26.7184 4.7618 556828.8744 3.2008 3.1324 PRESSURE: 3678600 -11.9607 -45.2465 -71.5439 -45.2473 -151.527 97.7544 -71.5439 97.7537 120.617 GPRESSURE: 3678600 -6.07915 -81.5561 -58.3212 6.4204 -96.715 73.8914 -88.9087 141.225 147.638 PRESSAVG: 3678600 -12.1164 -0.847677 19.4659 -0.847653 7.20399 -19.6186 19.466 -19.6185 4.09298 GPRESSAVG: 3678600 -11.1776 0.423539 19.0683 -1.14451 8.40216 -21.0464 18.6898 -20.3214 1.90255 TIMING: 3678600 CPU: 10686.8, 0.00292166/step Wall: 10686.8, 0.00292166/step, 1.07241 hours remaining, 206.937500 MB of memory in use. ENERGY: 3678600 759.3619 2116.0474 1943.9990 114.4025 -206076.9558 17665.6059 0.0000 0.0000 34302.0810 -149175.4581 299.5686 -183477.5390 -149069.5990 299.7498 -14.2902 14.9479 556115.6151 -0.2731 -0.2910 PRESSURE: 3678800 -24.7256 -202.175 -18.078 -202.176 64.0264 -51.6912 -18.0788 -51.6915 90.3273 GPRESSURE: 3678800 13.8454 -140.66 -73.9595 -243.616 100.285 -43.2098 -30.1793 69.6289 118.331 PRESSAVG: 3678800 -26.0194 36.5486 -2.05306 36.5485 -14.1725 -29.3811 -2.05295 -29.3812 6.2771 GPRESSAVG: 3678800 -26.9608 38.0645 -2.3916 35.5889 -14.0096 -29.6513 -0.576516 -28.0366 6.92378 TIMING: 3678800 CPU: 10687.4, 0.00290604/step Wall: 10687.4, 0.00290604/step, 1.06652 hours remaining, 206.937500 MB of memory in use. ENERGY: 3678800 759.5158 2146.5550 1951.5922 117.0625 -206456.0394 18037.4413 0.0000 0.0000 34339.0347 -149104.8380 299.8913 -183443.8726 -149014.3548 299.3542 43.2094 77.4874 556957.7380 -11.3049 -11.3489 PRESSURE: 3679000 -133.648 -172.152 -79.4145 -172.152 73.7567 -170.192 -79.4144 -170.192 65.734 GPRESSURE: 3679000 -46.7134 -222.412 -114.798 -184.709 109.943 -87.2689 -68.3345 -235.833 49.9152 PRESSAVG: 3679000 -73.7519 -43.1761 21.4393 -43.1761 29.5054 -53.1807 21.4392 -53.1806 59.6324 GPRESSAVG: 3679000 -74.3617 -44.3488 20.9173 -41.3376 30.3998 -51.3203 23.2089 -56.6842 59.5274 TIMING: 3679000 CPU: 10688, 0.00291516/step Wall: 10688, 0.00291516/step, 1.0697 hours remaining, 206.937500 MB of memory in use. ENERGY: 3679000 729.2398 2098.0124 1958.8136 101.7615 -206134.8468 17944.9804 0.0000 0.0000 34249.7371 -149052.3020 299.1115 -183302.0392 -148953.0422 299.8279 1.9475 37.7150 557590.0368 5.1287 5.1885 PRESSURE: 3679200 253.24 46.1643 16.4561 46.164 59.6317 38.8175 16.4551 38.8164 200 GPRESSURE: 3679200 223.918 -0.637767 50.5608 92.3218 105.744 81.1523 -31.5483 64.0644 283.294 PRESSAVG: 3679200 -56.265 -29.7754 -67.0423 -29.7753 -17.9611 -51.2557 -67.0424 -51.2556 65.3777 GPRESSAVG: 3679200 -56.595 -27.6004 -65.8474 -30.7164 -19.2632 -50.8958 -68.6241 -50.0745 66.7332 TIMING: 3679200 CPU: 10688.6, 0.00292802/step Wall: 10688.6, 0.00292802/step, 1.07426 hours remaining, 206.937500 MB of memory in use. ENERGY: 3679200 751.0086 2125.7417 1950.4718 116.9989 -206530.5567 18085.2740 0.0000 0.0000 34362.0907 -149138.9710 300.0927 -183501.0617 -149046.3059 299.5340 170.9573 204.3188 557685.7641 -2.9495 -3.0417 PRESSURE: 3679400 29.5564 8.69761 -24.051 8.69625 212.414 48.4477 -24.0497 48.4462 -4.50006 GPRESSURE: 3679400 50.4402 -24.213 -19.8104 -12.9444 229.292 8.6743 -0.294202 17.1787 59.9875 PRESSAVG: 3679400 -23.1158 28.3133 -7.35689 28.3134 -15.9136 -47.2111 -7.35703 -47.2111 35.759 GPRESSAVG: 3679400 -21.6985 25.7756 -8.09852 28.6718 -16.6203 -48.7119 -8.84932 -45.934 35.226 TIMING: 3679400 CPU: 10689.2, 0.00294351/step Wall: 10689.2, 0.00294351/step, 1.07978 hours remaining, 206.937500 MB of memory in use. ENERGY: 3679400 741.3698 2126.5268 1951.4541 124.9865 -206002.9289 17836.3676 0.0000 0.0000 34149.7967 -149072.4274 298.2387 -183222.2241 -148974.1647 299.4991 79.1569 113.2399 556541.4911 -1.0902 -1.0309 PRESSURE: 3679600 -148.3 58.8528 106.917 58.8514 -335.899 -23.116 106.915 -23.1166 -51.2791 GPRESSURE: 3679600 -109.522 74.477 54.3439 5.72126 -279.702 -28.0896 141.531 -54.9495 -61.7605 PRESSAVG: 3679600 -32.0922 -9.85122 60.104 -9.85113 -33.1353 -0.433122 60.104 -0.433134 12.3976 GPRESSAVG: 3679600 -32.7191 -6.57428 61.1949 -13.6586 -32.4673 2.19981 60.3123 -3.26584 12.2586 TIMING: 3679600 CPU: 10689.8, 0.00294406/step Wall: 10689.8, 0.00294406/step, 1.07982 hours remaining, 206.937500 MB of memory in use. ENERGY: 3679600 787.8665 2111.7503 1961.6640 109.9528 -205887.6022 17449.2080 0.0000 0.0000 34342.6805 -149124.4803 299.9232 -183467.1608 -149021.7598 299.5783 -178.4928 -150.3282 556105.6904 -17.6100 -17.6426 PRESSURE: 3679800 -21.004 92.6351 -106.309 92.6341 -61.7018 -85.9046 -106.31 -85.9065 300.302 GPRESSURE: 3679800 19.3653 38.0856 -87.1248 53.1179 -24.9269 -85.4442 -128.195 -88.4979 315.244 PRESSAVG: 3679800 32.604 -6.38863 -27.0731 -6.38868 -51.6322 10.1712 -27.0731 10.1712 62.2028 GPRESSAVG: 3679800 31.9516 -6.93273 -27.5166 -5.97619 -50.5986 7.15974 -25.768 12.8648 61.3818 TIMING: 3679800 CPU: 10690.3, 0.00293739/step Wall: 10690.3, 0.00293739/step, 1.0772 hours remaining, 206.937500 MB of memory in use. ENERGY: 3679800 751.5884 2093.5793 1964.8671 125.2280 -206182.9717 17793.3622 0.0000 0.0000 34302.8424 -149151.5043 299.5753 -183454.3467 -149051.5559 300.0350 72.5320 103.2275 555494.5354 14.3915 14.2449 PRESSURE: 3680000 13.4287 71.8715 52.2196 71.8709 -7.80338 -57.5378 52.2204 -57.5369 101.893 GPRESSURE: 3680000 62.7264 56.1244 8.44414 0.47316 -6.28872 -106.335 53.7661 -35.7974 145.937 PRESSAVG: 3680000 31.3906 -3.81842 25.477 -3.81838 -94.6712 -18.9531 25.477 -18.9532 75.312 GPRESSAVG: 3680000 32.5954 -4.56433 24.2341 -3.17473 -96.1929 -18.2821 25.5979 -18.4959 75.3586 TIMING: 3680000 CPU: 10690.9, 0.00293023/step Wall: 10690.9, 0.00293023/step, 1.07442 hours remaining, 206.937500 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: 3680000 735.3683 2085.3128 1947.0193 104.8189 -205816.0698 17703.8222 0.0000 0.0000 34292.3616 -148947.3667 299.4837 -183239.7283 -148850.4687 299.8452 35.8395 67.4582 556393.3228 4.0105 3.9204 PRESSURE: 3680200 171.189 0.604152 12.181 0.603097 65.7723 6.22479 12.1824 6.22737 -36.8871 GPRESSURE: 3680200 221.443 -7.69021 54.1518 60.3847 14.1189 27.4419 29.5302 29.5723 49.4108 PRESSAVG: 3680200 30.1323 11.1964 33.2354 11.1964 -29.3373 -3.45274 33.2355 -3.45271 38.4216 GPRESSAVG: 3680200 28.4448 12.6126 34.7697 11.368 -28.3389 -3.32692 32.1767 -4.75909 38.9982 TIMING: 3680200 CPU: 10691.5, 0.00292867/step Wall: 10691.5, 0.00292867/step, 1.07368 hours remaining, 206.937500 MB of memory in use. ENERGY: 3680200 737.2883 2110.7035 1970.6625 112.3193 -205973.0536 17740.6679 0.0000 0.0000 34347.9238 -148953.4884 299.9690 -183301.4121 -148852.5024 300.5103 66.6915 94.9907 558068.8749 13.0722 13.0347 LDB: ============= START OF LOAD BALANCING ============== 10695 LDB: ============== END OF LOAD BALANCING =============== 10695 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10695 LDB: ============= START OF LOAD BALANCING ============== 10695.3 LDB: Largest compute 4820 load 0.031138 is 26.4% of average load 0.117795 LDB: Average compute 0.001737 is 1.5% of average load 0.117795 LDB: TIME 10695.3 LOAD: AVG 0.117795 MAX 0.184864 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 10695.3 LOAD: AVG 0.117795 MAX 0.184864 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: TIME 10695.3 LOAD: AVG 0.117795 MAX 0.184864 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10695.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10695.3 PRESSURE: 3680400 -45.323 -44.6436 -63.7536 -44.6426 -86.5989 39.406 -63.7526 39.4051 69.8654 GPRESSURE: 3680400 0.00850691 -66.9698 11.4126 -28.7953 -5.10097 38.778 -124.35 17.1194 50.6258 PRESSAVG: 3680400 48.0133 -23.595 29.6023 -23.595 -30.7617 -26.122 29.6024 -26.1219 -12.3434 GPRESSAVG: 3680400 49.9784 -25.5841 29.8681 -21.8827 -32.0627 -24.822 30.0015 -27.9399 -12.8471 TIMING: 3680400 CPU: 10692.1, 0.00297652/step Wall: 10692.1, 0.00297651/step, 1.09106 hours remaining, 207.156250 MB of memory in use. ENERGY: 3680400 741.5169 2171.5360 1915.6006 111.4274 -206239.6502 17885.9416 0.0000 0.0000 34282.2666 -149131.3612 299.3956 -183413.6278 -149038.9295 299.7861 -20.6855 15.1778 559351.6577 1.6361 1.6895 PRESSURE: 3680600 112.075 75.3877 -0.197703 75.3894 -66.2938 -29.308 -0.197854 -29.3094 179.822 GPRESSURE: 3680600 107.558 92.0537 45.7485 37.7976 74.6502 -48.2206 47.7377 52.2597 146.689 PRESSAVG: 3680600 -65.3288 53.5564 38.3301 53.5563 -9.44597 -5.39815 38.3302 -5.39802 70.0287 GPRESSAVG: 3680600 -67.0043 53.7595 36.9985 51.2117 -7.70319 -5.4501 39.3475 -4.26669 70.0543 TIMING: 3680600 CPU: 10692.7, 0.00290747/step Wall: 10692.7, 0.00290747/step, 1.06559 hours remaining, 207.417969 MB of memory in use. ENERGY: 3680600 778.6092 2106.0768 1950.3041 115.3554 -206451.2039 18023.1074 0.0000 0.0000 34356.9706 -149120.7804 300.0480 -183477.7510 -149021.2872 299.4875 75.2009 109.6324 558694.2416 -1.5820 -1.5510 PRESSURE: 3680800 -195.701 137.363 -2.93544 137.363 -113.817 8.81566 -2.93548 8.81672 -56.3698 GPRESSURE: 3680800 -184.523 127.249 14.6624 91.1273 -65.7895 44.6287 3.32491 30.4744 -16.8313 PRESSAVG: 3680800 -30.9456 49.3744 -44.2624 49.3743 2.55497 -14.5603 -44.2624 -14.5602 25.0313 GPRESSAVG: 3680800 -29.241 50.3176 -43.0237 50.8312 1.70998 -16.2825 -46.0618 -11.1167 23.8948 TIMING: 3680800 CPU: 10693.3, 0.00293064/step Wall: 10693.3, 0.00293064/step, 1.07392 hours remaining, 207.417969 MB of memory in use. ENERGY: 3680800 765.8484 2102.2571 1925.6907 102.6677 -206398.9560 17712.7520 0.0000 0.0000 34495.5181 -149294.2221 301.2579 -183789.7402 -149193.7669 300.0701 -121.9627 -89.0478 559044.8928 -1.1198 -1.2121 PRESSURE: 3681000 -79.8273 51.055 118.545 51.0563 19.4531 11.9428 118.545 11.9423 66.3436 GPRESSURE: 3681000 -96.4584 25.1579 127.366 -18.5377 19.9242 -7.19229 172.153 -8.88305 182.525 PRESSAVG: 3681000 -42.5676 -18.118 26.4835 -18.118 105.825 -20.2041 26.4836 -20.2042 -18.1126 GPRESSAVG: 3681000 -43.5182 -18.0563 25.9207 -18.1738 104.989 -19.0158 29.1987 -22.8986 -15.3157 TIMING: 3681000 CPU: 10693.9, 0.00290806/step Wall: 10693.9, 0.00290806/step, 1.06548 hours remaining, 207.417969 MB of memory in use. ENERGY: 3681000 756.6212 2093.5923 1965.9311 109.6742 -206384.9724 17920.5044 0.0000 0.0000 34126.9247 -149411.7244 298.0389 -183538.6492 -149313.2911 299.1395 1.9898 35.3304 558713.5094 15.0483 15.3852 PRESSURE: 3681200 40.4901 68.6231 166.884 68.6237 -324.348 55.8865 166.885 55.8859 -290.89 GPRESSURE: 3681200 33.8601 18.0213 209.54 66.9275 -229.702 132.689 121.15 87.169 -291.225 PRESSAVG: 3681200 -70.7869 58.6393 2.61616 58.6392 64.7242 14.3813 2.61602 14.3813 -18.9806 GPRESSAVG: 3681200 -70.2766 59.6098 4.2592 57.2802 65.8641 15.3171 -1.14697 13.5653 -21.0476 TIMING: 3681200 CPU: 10694.4, 0.00291821/step Wall: 10694.4, 0.00291821/step, 1.06904 hours remaining, 207.417969 MB of memory in use. ENERGY: 3681200 764.3824 2046.7127 1993.7395 111.8708 -206190.2424 17683.8131 0.0000 0.0000 34279.6240 -149310.0999 299.3725 -183589.7240 -149215.4539 298.3213 -191.5827 -162.3556 559265.3114 -8.3478 -8.4867 PRESSURE: 3681400 -7.68823 -44.4001 16.563 -44.4012 135.744 -144.876 16.5625 -144.876 -70.4656 GPRESSURE: 3681400 32.2033 8.19185 -55.1356 -85.7826 189.095 -130.925 78.2944 -151.384 -65.1673 PRESSAVG: 3681400 25.302 -42.2857 -35.6485 -42.2858 -65.6362 2.85992 -35.6485 2.86 38.6112 GPRESSAVG: 3681400 26.0281 -43.2543 -37.0431 -41.2017 -66.5127 1.0596 -34.6583 1.49169 38.671 TIMING: 3681400 CPU: 10695, 0.00292205/step Wall: 10695, 0.00292205/step, 1.07028 hours remaining, 207.417969 MB of memory in use. ENERGY: 3681400 763.5066 2076.2512 1959.3177 101.9161 -206463.7994 18014.5540 0.0000 0.0000 34347.1686 -149201.0851 299.9624 -183548.2537 -149106.2860 298.7793 19.1967 52.0437 557837.8266 -0.5743 -0.6046 PRESSURE: 3681600 98.9239 -115.928 32.4237 -115.927 -42.0642 -87.4942 32.4234 -87.4971 14.9437 GPRESSURE: 3681600 96.7688 -17.1863 128.857 -110.137 53.1035 -123.104 -7.84499 -33.7151 32.494 PRESSAVG: 3681600 10.7342 -30.0457 -12.0714 -30.0457 47.4175 -0.263303 -12.0714 -0.263406 -1.37414 GPRESSAVG: 3681600 10.7177 -30.3602 -11.0645 -29.2922 47.8115 -1.6984 -12.0055 1.75881 -1.12415 TIMING: 3681600 CPU: 10695.6, 0.00292764/step Wall: 10695.6, 0.00292764/step, 1.07217 hours remaining, 207.417969 MB of memory in use. ENERGY: 3681600 746.7579 2133.9176 1946.8458 118.7987 -206413.3226 17901.1450 0.0000 0.0000 34446.4561 -149119.4014 300.8295 -183565.8575 -149026.7966 298.9670 23.9344 60.7888 557373.4047 18.9259 19.1350 PRESSURE: 3681800 77.2473 83.6137 -10.8765 83.6138 20.1717 -82.8577 -10.8753 -82.8582 -67.9824 GPRESSURE: 3681800 108.152 36.0146 30.1542 146.508 59.9804 -65.6951 4.23574 -71.5379 -47.4617 PRESSAVG: 3681800 19.679 34.3755 -11.9119 34.3755 -64.8345 20.5943 -11.9118 20.5943 37.2922 GPRESSAVG: 3681800 19.744 34.6693 -14.1056 33.4879 -64.9043 22.2203 -10.4858 20.4467 37.5592 TIMING: 3681800 CPU: 10696.2, 0.0029205/step Wall: 10696.2, 0.0029205/step, 1.06939 hours remaining, 207.417969 MB of memory in use. ENERGY: 3681800 793.7919 2129.0364 1972.0239 108.6139 -206171.6555 17972.2534 0.0000 0.0000 34107.2438 -149088.6923 297.8670 -183195.9360 -148988.8544 299.4058 9.8122 40.2235 556982.0814 -2.6211 -2.5337 PRESSURE: 3682000 -23.0209 -46.2073 121.117 -46.2072 14.4848 38.1182 121.117 38.1205 -63.4098 GPRESSURE: 3682000 13.357 -15.5132 40.0316 -38.4255 34.365 63.6718 251.723 -41.1279 -25.1924 PRESSAVG: 3682000 21.3161 -9.02145 -10.6315 -9.02153 -34.4739 8.73464 -10.6315 8.73455 14.2576 GPRESSAVG: 3682000 21.1557 -9.27226 -10.3874 -7.9873 -33.6835 7.95723 -12.7895 7.58601 13.6865 TIMING: 3682000 CPU: 10696.8, 0.00291588/step Wall: 10696.8, 0.00291588/step, 1.06754 hours remaining, 207.417969 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: 3682000 739.2866 2086.0202 1949.1682 106.3183 -206174.4009 17884.1258 0.0000 0.0000 34394.0062 -149015.4756 300.3714 -183409.4818 -148916.6547 299.8735 -23.9820 7.5099 557371.4789 0.3666 0.3862 PRESSURE: 3682200 -43.7298 133.316 -69.2024 133.316 91.5582 8.13796 -69.2021 8.1372 -205.454 GPRESSURE: 3682200 -13.4498 221.867 24.657 30.8765 126.417 120.559 -43.9198 -51.1534 -163.038 PRESSAVG: 3682200 39.3787 18.9645 -34.9635 18.9644 2.10406 38.7001 -34.9636 38.7001 -14.2202 GPRESSAVG: 3682200 40.0844 22.4209 -33.0525 19.7798 0.981875 40.013 -33.9079 39.2345 -13.6606 TIMING: 3682200 CPU: 10697.4, 0.00291352/step Wall: 10697.4, 0.00291352/step, 1.06651 hours remaining, 207.417969 MB of memory in use. ENERGY: 3682200 743.5567 2098.9311 1933.9368 104.0308 -205650.6527 17623.1941 0.0000 0.0000 34129.7020 -149017.3012 298.0632 -183147.0032 -148919.2655 299.8508 -52.5419 -16.6901 557934.0431 9.0875 9.1352 PRESSURE: 3682400 14.9959 5.97181 -31.6106 5.97223 -86.4228 -25.5599 -31.6119 -25.5603 41.6048 GPRESSURE: 3682400 -8.87104 28.4177 -67.8237 53.7925 -2.97625 35.9353 -6.75152 -50.0036 80.429 PRESSAVG: 3682400 2.02375 14.6162 -14.7002 14.6164 -46.0198 42.1615 -14.7003 42.1615 61.2533 GPRESSAVG: 3682400 1.65879 13.9683 -18.2299 13.0478 -45.1824 42.7061 -14.2221 40.1979 61.0076 TIMING: 3682400 CPU: 10697.9, 0.00289955/step Wall: 10697.9, 0.00289955/step, 1.06123 hours remaining, 207.417969 MB of memory in use. ENERGY: 3682400 745.8484 2072.0662 1936.5211 114.1460 -205846.9465 17752.8116 0.0000 0.0000 34248.0862 -148977.4671 299.0971 -183225.5533 -148889.5574 299.8574 -9.9407 22.8606 558900.8779 5.7524 5.8280 PRESSURE: 3682600 -274.495 -19.0111 37.0387 -19.0113 -312.304 21.2491 37.0404 21.2498 -140.302 GPRESSURE: 3682600 -267.489 34.3779 99.3559 -101.444 -219.535 -10.216 14.9272 69.9155 -142.342 PRESSAVG: 3682600 -66.6733 -23.7432 8.95994 -23.7432 -6.89293 -7.72415 8.96005 -7.72425 75.0697 GPRESSAVG: 3682600 -67.4587 -25.8531 12.2209 -24.3533 -7.48102 -8.33809 8.87378 -5.34505 76.013 TIMING: 3682600 CPU: 10698.5, 0.00290465/step Wall: 10698.5, 0.00290465/step, 1.06294 hours remaining, 207.417969 MB of memory in use. ENERGY: 3682600 771.7539 2090.5628 1949.4674 121.8161 -205784.7578 17438.7183 0.0000 0.0000 34467.1251 -148945.3141 301.0100 -183412.4392 -148848.6644 299.5738 -242.3669 -209.7886 557214.8488 0.5011 0.3577 PRESSURE: 3682800 -252.583 -168.499 -36.2697 -168.499 8.49914 -69.3015 -36.2698 -69.3017 -117.472 GPRESSURE: 3682800 -184.873 -213.164 -8.42888 -123.061 57.1732 -101.774 -65.1752 -28.3014 -144.257 PRESSAVG: 3682800 74.8783 -19.8142 -40.4699 -19.8142 -109.297 -21.1193 -40.47 -21.1193 48.735 GPRESSAVG: 3682800 74.9527 -22.6074 -41.7285 -17.3411 -109.773 -20.3721 -40.705 -21.3969 49.1669 TIMING: 3682800 CPU: 10699.1, 0.00294545/step Wall: 10699.1, 0.00294545/step, 1.07771 hours remaining, 207.417969 MB of memory in use. ENERGY: 3682800 752.5423 2095.0287 1923.6625 114.1816 -205764.8533 17479.2977 0.0000 0.0000 34250.3076 -149149.8329 299.1165 -183400.1405 -149061.0601 299.5459 -120.5184 -90.6524 557062.7573 4.7720 4.7823 PRESSURE: 3683000 -11.9528 8.02164 -10.4005 8.02198 -137.815 45.981 -10.4008 45.9812 -491.099 GPRESSURE: 3683000 75.0789 21.7681 34.0216 -43.4415 -148.222 78.4737 -118.321 -6.69507 -479.112 PRESSAVG: 3683000 16.7065 -12.1806 -13.2671 -12.1806 -37.3688 6.84959 -13.2672 6.84956 12.6634 GPRESSAVG: 3683000 16.1015 -8.12453 -13.6 -15.3938 -36.642 5.69395 -13.7569 6.96771 13.0513 TIMING: 3683000 CPU: 10699.7, 0.00290953/step Wall: 10699.7, 0.00290953/step, 1.0644 hours remaining, 207.417969 MB of memory in use. ENERGY: 3683000 746.3677 2149.2306 1945.4100 105.0168 -205802.4266 17591.9836 0.0000 0.0000 34051.5130 -149212.9048 297.3803 -183264.4178 -149114.9886 299.2776 -213.6225 -184.0851 559871.5551 -2.6663 -2.4964 PRESSURE: 3683200 -84.4835 42.2771 83.1367 42.2773 181.258 -217.357 83.1373 -217.357 117.876 GPRESSURE: 3683200 -36.1471 88.1858 92.2636 -12.4831 212.124 -187.137 40.0586 -265.022 127.25 PRESSAVG: 3683200 17.3793 8.2436 51.8222 8.24362 -46.362 -7.83563 51.8222 -7.83544 -0.303966 GPRESSAVG: 3683200 17.103 9.18898 52.4458 9.09357 -45.8919 -5.56945 51.5918 -9.02484 -0.655812 TIMING: 3683200 CPU: 10700.3, 0.00292497/step Wall: 10700.3, 0.00292497/step, 1.06989 hours remaining, 207.417969 MB of memory in use. ENERGY: 3683200 725.4212 2135.5505 1988.7158 112.9786 -206291.8751 17901.8626 0.0000 0.0000 34194.8696 -149232.4767 298.6323 -183427.3463 -149133.2828 298.9638 71.5503 101.0757 557371.6406 -9.7622 -9.8149 PRESSURE: 3683400 68.7664 -35.1278 -113.234 -35.1265 -153.169 40.6939 -113.234 40.6949 -79.8096 GPRESSURE: 3683400 92.8225 -99.9613 -143.225 47.3831 -142.874 110.192 -71.2298 10.5976 -25.085 PRESSAVG: 3683400 11.846 -62.9131 50.3166 -62.9131 -44.427 10.3619 50.3167 10.362 29.5031 GPRESSAVG: 3683400 12.0398 -65.4646 48.4464 -61.1769 -45.0334 6.73258 49.3693 10.2519 29.8848 TIMING: 3683400 CPU: 10700.9, 0.00293335/step Wall: 10700.9, 0.00293335/step, 1.07279 hours remaining, 207.417969 MB of memory in use. ENERGY: 3683400 725.1629 2070.9102 1944.3488 117.4605 -206099.2749 17914.4319 0.0000 0.0000 34212.5057 -149114.4551 298.7863 -183326.9607 -149023.9161 298.5982 -54.7372 -25.0454 558453.6332 -1.0260 -1.0362 PRESSURE: 3683600 -253.845 -91.3954 148.515 -91.395 -183.556 -93.2319 148.514 -93.2316 48.5057 GPRESSURE: 3683600 -223.814 -118.3 135.385 -37.9408 -133.472 -160.486 146.407 -104.499 68.4032 PRESSAVG: 3683600 1.39401 -63.4459 -8.87548 -63.446 23.3623 -23.846 -8.87545 -23.8459 3.5481 GPRESSAVG: 3683600 2.79103 -62.9134 -8.11054 -65.2017 23.8546 -21.5351 -6.02584 -22.9367 1.99668 TIMING: 3683600 CPU: 10701.4, 0.00293222/step Wall: 10701.4, 0.00293222/step, 1.07221 hours remaining, 207.417969 MB of memory in use. ENERGY: 3683600 740.9229 2087.6558 1957.3955 118.3019 -206117.2148 17785.3985 0.0000 0.0000 34374.9984 -149052.5418 300.2054 -183427.5402 -148953.4044 299.2345 -129.6319 -96.2941 558543.0169 9.4348 9.5475 PRESSURE: 3683800 -80.0818 93.3492 13.4838 93.3493 -4.78814 2.45138 13.4842 2.45356 26.6439 GPRESSURE: 3683800 -65.1937 65.6702 -101.727 137.634 15.312 52.5304 51.8754 15.1737 76.9703 PRESSAVG: 3683800 -21.9375 -14.2755 -17.0233 -14.2757 -34.2923 -53.233 -17.0233 -53.233 54.9903 GPRESSAVG: 3683800 -22.9102 -16.7245 -17.0267 -11.5087 -33.4299 -53.2618 -18.2737 -54.948 55.1346 TIMING: 3683800 CPU: 10702, 0.00294399/step Wall: 10702, 0.00294399/step, 1.07636 hours remaining, 207.417969 MB of memory in use. ENERGY: 3683800 733.1009 2051.5676 1961.2268 126.0509 -206047.4811 17766.7142 0.0000 0.0000 34183.5347 -149225.2859 298.5333 -183408.8206 -149125.2747 298.9472 -19.4087 9.0296 556664.7161 -0.4132 -0.4018 PRESSURE: 3684000 21.8578 54.8144 -86.7333 54.8154 -175.507 -53.7528 -86.7332 -53.7517 21.3717 GPRESSURE: 3684000 15.7741 46.0204 -83.452 76.1426 -121.682 -44.4754 -23.2146 -47.7811 65.467 PRESSAVG: 3684000 -20.9733 -1.70253 2.39725 -1.70249 -61.5318 6.16134 2.39719 6.16146 66.7484 GPRESSAVG: 3684000 -20.9348 0.130722 3.54396 -2.55911 -61.8409 6.18979 2.25844 5.44262 67.4398 TIMING: 3684000 CPU: 10702.6, 0.00294506/step Wall: 10702.6, 0.00294506/step, 1.07658 hours remaining, 207.417969 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: 3684000 749.9284 2065.5292 1936.9830 107.2553 -206007.4238 17791.2820 0.0000 0.0000 34165.6419 -149190.8041 298.3770 -183356.4460 -149090.2361 299.9133 -44.0923 -13.4803 558113.6418 -5.2522 -5.1120 PRESSURE: 3684200 -166.07 14.9389 65.6574 14.9383 -219.576 53.275 65.6555 53.2756 338.199 GPRESSURE: 3684200 -59.8319 60.1917 -45.6373 -41.0098 -188.279 13.9148 63.9382 13.8601 299.148 PRESSAVG: 3684200 -73.4544 1.43936 0.694873 1.4394 -4.06351 -42.1828 0.694842 -42.1828 64.8018 GPRESSAVG: 3684200 -71.9974 -0.306449 0.191551 3.65617 -3.75502 -42.2449 0.416204 -39.187 62.9593 TIMING: 3684200 CPU: 10703.2, 0.00293621/step Wall: 10703.2, 0.00293621/step, 1.07318 hours remaining, 207.417969 MB of memory in use. ENERGY: 3684200 777.1947 2065.1501 1937.4845 111.6802 -206051.2606 17888.5639 0.0000 0.0000 34140.7114 -149130.4758 298.1593 -183271.1872 -149028.0581 299.5329 -15.8157 17.0124 556961.3877 -4.2387 -4.2644 LDB: ============= START OF LOAD BALANCING ============== 10706.7 LDB: ============== END OF LOAD BALANCING =============== 10706.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10706.7 LDB: ============= START OF LOAD BALANCING ============== 10707 LDB: Largest compute 4820 load 0.029764 is 25.3% of average load 0.117842 LDB: Average compute 0.001728 is 1.5% of average load 0.117842 LDB: TIME 10707 LOAD: AVG 0.117842 MAX 0.191201 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.832 MB LDB: TIME 10707 LOAD: AVG 0.117842 MAX 0.191201 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: TIME 10707 LOAD: AVG 0.117842 MAX 0.191201 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10707 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10707 PRESSURE: 3684400 -0.879223 125.836 -79.1741 125.836 71.9759 -19.7771 -79.1745 -19.7763 -207.623 GPRESSURE: 3684400 -19.2576 114.105 -102.58 72.8555 96.6357 15.7549 -25.7424 -37.5035 -118.007 PRESSAVG: 3684400 -7.36612 3.28046 -12.2864 3.28046 -24.8331 -32.5933 -12.2863 -32.5933 76.3451 GPRESSAVG: 3684400 -8.86236 5.44446 -11.1447 1.14441 -23.6462 -33.5026 -12.3968 -34.2517 76.5119 TIMING: 3684400 CPU: 10703.8, 0.00298559/step Wall: 10703.8, 0.00298559/step, 1.09107 hours remaining, 206.644531 MB of memory in use. ENERGY: 3684400 708.8771 2094.1649 1950.3599 106.4743 -206146.5369 17798.5774 0.0000 0.0000 34257.3248 -149230.7585 299.1777 -183488.0833 -149136.6722 299.5825 -45.5088 -13.5429 557630.7779 14.7153 14.6678 PRESSURE: 3684600 -114.805 80.7893 -3.95826 80.7891 27.4148 -129.893 -3.95792 -129.893 -81.856 GPRESSURE: 3684600 -75.2838 62.0804 49.4737 49.6794 54.7156 -109.712 2.91124 -77.2862 -49.4991 PRESSAVG: 3684600 -100.532 6.0139 -1.26974 6.01384 63.557 -55.563 -1.26974 -55.563 30.1865 GPRESSAVG: 3684600 -100.709 6.77463 -1.50045 4.15992 62.3035 -53.2456 -1.0887 -55.0681 31.6544 TIMING: 3684600 CPU: 10704.4, 0.00290841/step Wall: 10704.4, 0.00290841/step, 1.0627 hours remaining, 206.886719 MB of memory in use. ENERGY: 3684600 739.8474 2062.4059 1933.7966 108.3155 -206170.2495 17693.0204 0.0000 0.0000 34232.4992 -149400.3645 298.9609 -183632.8637 -149301.4522 298.2942 -56.4156 -23.3558 556705.3756 -2.2629 -2.2503 PRESSURE: 3684800 -132.333 -12.0946 68.7975 -12.0955 51.4403 46.8138 68.7974 46.8161 -272.252 GPRESSURE: 3684800 -126.74 55.4116 83.1212 -95.9097 74.9022 82.0412 50.0412 24.8726 -212.218 PRESSAVG: 3684800 -3.2473 -3.73016 -19.3655 -3.7301 -38.9856 -2.2113 -19.3655 -2.2112 22.0207 GPRESSAVG: 3684800 -2.71075 -6.43223 -20.7894 -0.464443 -38.7837 -3.06097 -19.9459 -2.37175 21.405 TIMING: 3684800 CPU: 10705, 0.0029569/step Wall: 10705, 0.0029569/step, 1.08025 hours remaining, 206.886719 MB of memory in use. ENERGY: 3684800 746.4504 2083.4214 1944.9432 125.3794 -206261.4385 17836.1519 0.0000 0.0000 34212.8700 -149312.2222 298.7895 -183525.0922 -149214.3049 299.3309 -117.7149 -88.0187 557411.7223 -6.7374 -6.6965 PRESSURE: 3685000 -231.03 207.478 -26.8302 207.479 -107.369 -8.97209 -26.8293 -8.97252 -137.778 GPRESSURE: 3685000 -156.227 127.526 -110.072 139.104 -105.21 22.279 53.0927 -27.7388 -116.672 PRESSAVG: 3685000 29.2704 -12.599 15.2321 -12.599 -77.3547 -21.0853 15.2321 -21.0854 55.3896 GPRESSAVG: 3685000 27.9739 -10.1196 15.163 -14.271 -76.7578 -20.4706 17.1633 -21.2605 56.3791 TIMING: 3685000 CPU: 10705.6, 0.00294311/step Wall: 10705.6, 0.00294311/step, 1.07505 hours remaining, 206.886719 MB of memory in use. ENERGY: 3685000 756.3979 2096.8888 1959.0133 106.8283 -206050.7018 17643.7970 0.0000 0.0000 34181.5292 -149306.2473 298.5158 -183487.7765 -149208.1537 298.8303 -158.7257 -126.0364 557841.4121 2.4351 2.5317 PRESSURE: 3685200 37.7149 -141.578 95.4902 -141.579 271.312 109.461 95.491 109.462 321.941 GPRESSURE: 3685200 72.735 -122.254 94.8857 -100.192 329.269 60.4948 104.1 125.534 325.436 PRESSAVG: 3685200 72.7312 -22.6116 39.5823 -22.6117 -68.6202 -47.8321 39.5823 -47.8322 20.3211 GPRESSAVG: 3685200 73.1966 -20.911 39.3882 -22.649 -69.0638 -48.7495 37.6482 -47.6632 20.0356 TIMING: 3685200 CPU: 10706.2, 0.00294075/step Wall: 10706.2, 0.00294075/step, 1.07403 hours remaining, 206.886719 MB of memory in use. ENERGY: 3685200 767.6006 2117.5140 1970.6484 106.1794 -206369.8824 18032.3841 0.0000 0.0000 34203.7564 -149171.7994 298.7099 -183375.5559 -149074.2107 298.6903 210.3226 242.4798 557357.4221 8.1440 8.0561 PRESSURE: 3685400 -332.682 -210.003 134.587 -210.004 10.8892 -124.437 134.587 -124.437 -344.598 GPRESSURE: 3685400 -261.428 -251.848 156.903 -216.928 22.7679 -142.168 23.7791 -108.016 -334.845 PRESSAVG: 3685400 -25.4633 -34.5013 18.0733 -34.5012 0.39688 44.1912 18.0732 44.1912 -1.03547 GPRESSAVG: 3685400 -24.091 -36.4605 18.2497 -34.798 -0.315328 44.8793 18.8404 44.3398 -1.57441 TIMING: 3685400 CPU: 10706.8, 0.00296578/step Wall: 10706.8, 0.00296578/step, 1.08301 hours remaining, 207.148438 MB of memory in use. ENERGY: 3685400 771.8933 2064.3803 1918.7159 105.2643 -205807.4219 17370.0830 0.0000 0.0000 34280.6192 -149296.4658 299.3812 -183577.0850 -149197.0930 299.4389 -222.1304 -191.1686 557475.5317 -8.7006 -8.6603 PRESSURE: 3685600 -67.8431 39.6572 -48.1009 39.6567 -103.128 -137.906 -48.1006 -137.909 -283.933 GPRESSURE: 3685600 -57.5331 21.0861 -106.932 40.6951 -114.13 -202.004 -29.5305 -2.26416 -200.325 PRESSAVG: 3685600 34.1658 -22.0029 -10.3016 -22.003 10.3005 8.45722 -10.3017 8.45721 -34.0827 GPRESSAVG: 3685600 34.3984 -19.8801 -9.87603 -22.5676 10.6645 6.24628 -10.3532 9.03569 -34.6106 TIMING: 3685600 CPU: 10707.3, 0.00292567/step Wall: 10707.3, 0.00292568/step, 1.0682 hours remaining, 207.148438 MB of memory in use. ENERGY: 3685600 778.3070 2060.7442 1953.3043 108.7160 -206194.3206 17510.3219 0.0000 0.0000 34268.6228 -149514.3044 299.2764 -183782.9271 -149411.1076 298.4246 -151.6349 -123.9959 556118.4644 3.4612 3.4841 PRESSURE: 3685800 -106.722 -58.7553 -183.055 -58.7544 14.579 -66.6032 -183.054 -66.6016 95.5336 GPRESSURE: 3685800 -69.8217 -32.8587 -104.877 -53.654 30.7561 -19.4633 -210.169 -63.5703 142.175 PRESSAVG: 3685800 0.0272758 4.83882 -19.114 4.83882 19.3034 -17.6215 -19.114 -17.6215 -0.633685 GPRESSAVG: 3685800 -0.83665 4.72867 -18.6096 5.74467 19.9199 -16.4531 -20.8625 -17.4731 -0.655848 TIMING: 3685800 CPU: 10707.9, 0.00293337/step Wall: 10707.9, 0.00293337/step, 1.07084 hours remaining, 207.148438 MB of memory in use. ENERGY: 3685800 762.6227 2081.8820 1952.5254 114.1432 -206454.2701 17775.2904 0.0000 0.0000 34210.3083 -149557.4981 298.7671 -183767.8064 -149461.0422 298.2834 1.1301 34.3698 554883.0342 6.2323 6.1425 PRESSURE: 3686000 -21.3986 -66.6244 6.71321 -66.6235 -32.5849 -68.2107 6.71377 -68.2092 -138.521 GPRESSURE: 3686000 56.2653 -122.477 36.2745 -42.1377 7.42119 -94.1274 -21.8639 -4.13865 -154.934 PRESSAVG: 3686000 -126.974 27.6578 -5.59359 27.6578 58.3727 -35.1449 -5.59361 -35.1449 57.9177 GPRESSAVG: 3686000 -126.747 24.9304 -5.45341 28.0532 56.5285 -35.8912 -5.05223 -34.339 59.6829 TIMING: 3686000 CPU: 10708.5, 0.00292067/step Wall: 10708.5, 0.00292067/step, 1.06604 hours remaining, 207.148438 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: 3686000 730.2652 2071.9197 1947.8744 115.7262 -206412.0984 17730.5525 0.0000 0.0000 34114.8334 -149700.9270 297.9333 -183815.7604 -149598.0582 297.9027 -64.1682 -30.4157 556648.7383 -3.5613 -3.5117 PRESSURE: 3686200 -177.324 159.422 254.183 159.42 -308.913 -7.99893 254.184 -7.99895 16.9737 GPRESSURE: 3686200 -144.001 176.875 233.137 102.544 -304.124 -4.00387 193.261 -1.19252 101.746 PRESSAVG: 3686200 -44.7277 -11.748 3.41087 -11.7481 -20.2662 2.78547 3.41081 2.78554 41.6073 GPRESSAVG: 3686200 -43.98 -10.7404 3.7615 -13.4068 -19.39 1.22124 3.07462 3.63074 39.8553 TIMING: 3686200 CPU: 10709.1, 0.00291338/step Wall: 10709.1, 0.00291338/step, 1.06322 hours remaining, 207.148438 MB of memory in use. ENERGY: 3686200 745.9030 2074.8588 1950.6622 106.5189 -206409.6622 17627.3450 0.0000 0.0000 34251.6294 -149652.7449 299.1280 -183904.3743 -149560.4666 297.8985 -156.4211 -115.4600 556564.9916 -7.7955 -7.8382 PRESSURE: 3686400 -88.5235 82.8281 75.2111 82.8281 32.5328 58.0079 75.2116 58.0075 92.8853 GPRESSURE: 3686400 -32.8544 112.319 -13.7692 87.6308 73.4456 33.8866 103.307 61.2544 80.3199 PRESSAVG: 3686400 -38.7762 21.1596 56.4258 21.1595 -12.8871 11.81 56.4258 11.81 106.398 GPRESSAVG: 3686400 -38.4567 21.3149 56.6006 20.5088 -13.0808 13.6798 58.6363 9.5583 106.668 TIMING: 3686400 CPU: 10709.7, 0.00292944/step Wall: 10709.7, 0.00292944/step, 1.06892 hours remaining, 207.148438 MB of memory in use. ENERGY: 3686400 712.0257 2066.2886 1971.8936 116.2678 -206273.1515 17824.3298 0.0000 0.0000 33976.6381 -149605.7079 296.7264 -183582.3461 -149506.7133 297.5878 12.2982 40.3037 555636.8965 18.2450 18.3769 PRESSURE: 3686600 166.653 -2.37589 95.8083 -2.3756 81.0889 16.5579 95.8073 16.5581 228.478 GPRESSURE: 3686600 194.793 20.8052 28.4333 26.4533 136.227 -27.6512 107.854 36.8636 240.652 PRESSAVG: 3686600 18.3161 -31.0952 0.736032 -31.0952 -8.97323 31.1164 0.735991 31.1163 19.4365 GPRESSAVG: 3686600 18.3458 -32.1015 -0.850002 -27.5118 -8.50591 29.8701 -0.257463 31.9364 19.1787 TIMING: 3686600 CPU: 10710.3, 0.0029277/step Wall: 10710.3, 0.0029277/step, 1.06812 hours remaining, 207.148438 MB of memory in use. ENERGY: 3686600 742.5440 2086.1191 1940.5130 108.4075 -206874.6214 18065.0682 0.0000 0.0000 34123.4866 -149808.4828 298.0089 -183931.9694 -149715.0972 298.0613 158.7398 190.5572 555315.4482 9.5931 9.6729 PRESSURE: 3686800 53.4553 87.9012 -56.2198 87.9016 25.8866 -107.232 -56.2197 -107.232 -22.8599 GPRESSURE: 3686800 118.599 147.706 -40.8171 95.0501 45.4829 -243.757 -96.9109 -116.757 8.86774 PRESSAVG: 3686800 14.3993 8.93936 10.6798 8.93935 23.3988 -2.85491 10.6799 -2.8549 11.4312 GPRESSAVG: 3686800 13.5273 10.7405 11.9902 5.60366 23.4503 -2.03909 11.5178 -3.42282 12.6191 TIMING: 3686800 CPU: 10710.8, 0.00292331/step Wall: 10710.8, 0.00292331/step, 1.06636 hours remaining, 207.148438 MB of memory in use. ENERGY: 3686800 692.8037 2131.1788 1952.2311 122.2935 -206704.2650 17833.6551 0.0000 0.0000 34255.4409 -149716.6619 299.1613 -183972.1028 -149621.3675 298.4883 18.8273 57.6500 554402.9281 16.4098 16.5322 PRESSURE: 3687000 143.384 52.6058 8.98551 52.6054 -46.1834 -9.52106 8.98521 -9.52201 -109.035 GPRESSURE: 3687000 208.779 33.372 -7.94438 71.4997 -21.9551 -13.239 55.838 -0.821466 -97.8913 PRESSAVG: 3687000 15.0056 -1.27205 52.2538 -1.27205 -6.11263 -5.68274 52.2538 -5.68267 -13.4664 GPRESSAVG: 3687000 15.0282 -1.27492 52.4837 -0.117561 -5.80671 -3.83195 50.8483 -6.05608 -13.596 TIMING: 3687000 CPU: 10711.4, 0.00295836/step Wall: 10711.4, 0.00295836/step, 1.07898 hours remaining, 207.179688 MB of memory in use. ENERGY: 3687000 748.1619 2127.0229 1942.8912 120.2118 -206312.8088 17697.0821 0.0000 0.0000 34298.1571 -149379.2819 299.5343 -183677.4391 -149290.2536 298.9652 -3.9447 29.6442 556431.7026 -1.5245 -1.4582 PRESSURE: 3687200 223.213 54.7573 -159.398 54.7574 -45.1552 285.744 -159.397 285.745 -55.6002 GPRESSURE: 3687200 248.465 82.9568 -126.431 -1.78871 -4.50352 237.696 -233.021 363.532 -23.8931 PRESSAVG: 3687200 17.336 28.4855 -46.3767 28.4855 24.2251 35.5937 -46.3767 35.5937 -46.428 GPRESSAVG: 3687200 17.6342 25.9804 -46.2321 30.0335 24.6292 34.1128 -46.2405 37.1762 -47.3544 TIMING: 3687200 CPU: 10712, 0.00295324/step Wall: 10712, 0.00295324/step, 1.07695 hours remaining, 207.179688 MB of memory in use. ENERGY: 3687200 738.4060 2082.2492 1965.7776 115.3514 -206408.0889 17918.8523 0.0000 0.0000 34200.6877 -149386.7647 298.6831 -183587.4524 -149296.3608 298.9536 40.8191 73.3561 555962.3139 -1.6223 -1.6970 PRESSURE: 3687400 47.4101 54.5566 -22.1435 54.5568 -56.017 -18.868 -22.1424 -18.8679 -99.884 GPRESSURE: 3687400 34.174 -13.2286 -19.7724 85.8112 23.7498 -76.4396 0.412105 2.62567 -58.0664 PRESSAVG: 3687400 -1.20548 -28.6547 11.5803 -28.6547 21.3915 21.2666 11.5804 21.2665 13.3309 GPRESSAVG: 3687400 -1.97605 -27.258 10.5648 -30.3058 21.1132 22.3852 11.8701 19.5607 14.3977 TIMING: 3687400 CPU: 10712.6, 0.00295629/step Wall: 10712.6, 0.00295629/step, 1.0779 hours remaining, 207.179688 MB of memory in use. ENERGY: 3687400 706.7846 2087.9841 1927.9569 112.0723 -206290.6113 17756.7827 0.0000 0.0000 34288.9083 -149410.1224 299.4536 -183699.0307 -149317.6942 299.1092 -36.1636 -0.0475 557353.6955 11.1723 11.1783 PRESSURE: 3687600 196.435 -17.0841 -64.6908 -17.0831 32.4204 45.1837 -64.6913 45.1819 -42.5141 GPRESSURE: 3687600 229.421 51.8371 87.6534 42.4644 77.1886 64.7803 -95.4346 13.8442 -19.8946 PRESSAVG: 3687600 -14.0094 35.1926 23.944 35.1926 32.2353 49.8736 23.9441 49.8735 -36.6546 GPRESSAVG: 3687600 -13.2192 37.2774 24.078 33.6518 30.8619 49.3093 26.116 52.5095 -35.6319 TIMING: 3687600 CPU: 10713.2, 0.00293997/step Wall: 10713.2, 0.00293997/step, 1.07178 hours remaining, 207.179688 MB of memory in use. ENERGY: 3687600 728.4096 2065.7078 1981.2532 109.8539 -206130.6883 17813.0806 0.0000 0.0000 34155.7392 -149276.6441 298.2906 -183432.3833 -149177.5740 298.6314 62.1138 95.5717 557310.1972 -6.1429 -5.9964 PRESSURE: 3687800 63.1996 42.3138 175.882 42.3145 -245.042 119.236 175.882 119.235 39.6158 GPRESSURE: 3687800 94.7064 9.73598 163.879 -11.9131 -162.042 88.2406 67.6416 56.8417 15.4098 PRESSAVG: 3687800 -42.9361 -5.96573 30.1391 -5.96566 37.1023 -27.1922 30.1392 -27.1922 44.2139 GPRESSAVG: 3687800 -43.7034 -7.45402 28.7269 -3.8134 38.3551 -26.879 29.2783 -26.8133 43.1221 TIMING: 3687800 CPU: 10713.8, 0.00293514/step Wall: 10713.8, 0.00293514/step, 1.06986 hours remaining, 207.179688 MB of memory in use. ENERGY: 3687800 753.2375 2126.8835 1969.5971 108.0796 -206096.1260 17912.0003 0.0000 0.0000 34079.0265 -149147.3015 297.6206 -183226.3281 -149056.0306 298.7051 -47.4088 -17.3086 557505.5901 12.7934 12.5913 PRESSURE: 3688000 -313.975 -217.681 -8.07631 -217.682 -80.3615 -81.8994 -8.07547 -81.8981 -137.806 GPRESSURE: 3688000 -248.918 -278.165 27.9382 -169.708 -38.8485 -169.732 22.8829 -50.6727 -145.43 PRESSAVG: 3688000 36.5898 -80.1422 26.4652 -80.1422 -11.3365 38.7058 26.4652 38.7059 -0.837943 GPRESSAVG: 3688000 35.8292 -79.9205 27.2671 -81.0083 -10.4735 39.0791 26.3402 39.0533 -0.776894 TIMING: 3688000 CPU: 10714.4, 0.00290976/step Wall: 10714.4, 0.00290976/step, 1.06045 hours remaining, 207.179688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3688000 710.6478 2050.5743 1980.5159 118.4172 -205900.3047 17471.7893 0.0000 0.0000 34130.7838 -149437.5764 298.0726 -183568.3602 -149338.1003 298.1993 -177.3807 -144.3988 557024.5168 8.1384 8.1929 PRESSURE: 3688200 -64.6214 -206.624 -56.4681 -206.625 121.112 -84.3025 -56.4675 -84.3027 -185.217 GPRESSURE: 3688200 -34.4002 -262.936 -81.1953 -134.778 185.103 -109.679 -54.4225 -46.8378 -182.707 PRESSAVG: 3688200 -82.655 17.9921 8.65114 17.9921 73.8939 -44.5131 8.65116 -44.5131 -3.07632 GPRESSAVG: 3688200 -81.8398 20.2614 6.22335 16.9322 73.5728 -46.313 9.20152 -45.8028 -4.15001 TIMING: 3688200 CPU: 10715, 0.0028906/step Wall: 10715, 0.0028906/step, 1.0533 hours remaining, 207.179688 MB of memory in use. ENERGY: 3688200 753.8758 2091.4173 1945.4104 114.9040 -205998.3640 17742.2837 0.0000 0.0000 33976.2977 -149374.1751 296.7235 -183350.4728 -149287.6706 298.6562 -42.9088 -10.6679 557800.8814 -3.9458 -4.1390 LDB: ============= START OF LOAD BALANCING ============== 10718.4 LDB: ============== END OF LOAD BALANCING =============== 10718.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10718.4 LDB: ============= START OF LOAD BALANCING ============== 10718.7 LDB: Largest compute 4820 load 0.029400 is 25.0% of average load 0.117767 LDB: Average compute 0.001732 is 1.5% of average load 0.117767 LDB: TIME 10718.7 LOAD: AVG 0.117767 MAX 0.188236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.551 MB LDB: TIME 10718.7 LOAD: AVG 0.117767 MAX 0.188237 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: TIME 10718.7 LOAD: AVG 0.117767 MAX 0.188237 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10718.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10718.7 PRESSURE: 3688400 169.15 38.6722 -129.759 38.6726 231.579 24.486 -129.758 24.486 -143.571 GPRESSURE: 3688400 169.773 78.3452 -282.476 6.31864 207.43 57.5356 -4.93085 22.8584 -9.36109 PRESSAVG: 3688400 -16.1712 -18.1459 -27.5461 -18.1459 80.8103 -41.5857 -27.5462 -41.5857 -47.9604 GPRESSAVG: 3688400 -16.7183 -21.4823 -24.4641 -14.9522 81.2242 -40.251 -29.6936 -40.7798 -47.5781 TIMING: 3688400 CPU: 10715.6, 0.00299183/step Wall: 10715.6, 0.00299183/step, 1.09002 hours remaining, 207.171875 MB of memory in use. ENERGY: 3688400 725.9712 2110.5376 1923.7620 107.7317 -206426.6942 17991.9999 0.0000 0.0000 34176.9719 -149389.7200 298.4760 -183566.6918 -149302.4840 299.3711 85.7192 122.6140 556166.0588 5.5596 5.6426 PRESSURE: 3688600 49.6336 -24.2837 -82.2842 -24.2821 79.1543 -123.87 -82.2845 -123.868 -295.154 GPRESSURE: 3688600 86.2267 -22.1474 -76.9771 -21.427 115.365 -89.2422 -81.3939 -149.866 -279.413 PRESSAVG: 3688600 -1.64843 -32.2962 -15.8796 -32.2963 72.1346 24.8521 -15.8795 24.852 -29.3751 GPRESSAVG: 3688600 -1.44244 -30.433 -16.2796 -34.34 72.064 26.2035 -14.742 24.2852 -29.0152 TIMING: 3688600 CPU: 10716.1, 0.0029414/step Wall: 10716.1, 0.0029414/step, 1.07149 hours remaining, 207.171875 MB of memory in use. ENERGY: 3688600 718.6924 2129.9986 1913.2960 110.9727 -206223.6731 17688.0811 0.0000 0.0000 34206.4265 -149456.2059 298.7332 -183662.6324 -149366.2764 298.5817 -55.4555 -25.9405 556989.9098 13.7037 13.8688 PRESSURE: 3688800 -35.4418 -122.404 -28.7509 -122.402 -162.742 58.2749 -28.7514 58.2736 286.284 GPRESSURE: 3688800 38.6083 -44.2161 -101.554 -153.702 -156.987 74.5663 22.1125 121.832 301.591 PRESSAVG: 3688800 21.1943 -53.9704 13.684 -53.9702 -11.959 23.5936 13.684 23.5935 -19.6636 GPRESSAVG: 3688800 20.8699 -53.8502 15.5621 -54.5096 -11.7371 20.9564 13.3631 25.1544 -19.3213 TIMING: 3688800 CPU: 10716.7, 0.00291494/step Wall: 10716.7, 0.00291494/step, 1.06168 hours remaining, 207.171875 MB of memory in use. ENERGY: 3688800 733.8137 2050.6027 1962.0460 132.1099 -206681.4808 18092.4444 0.0000 0.0000 34264.5885 -149445.8755 299.2412 -183710.4640 -149352.4235 298.9542 29.3667 61.0708 557495.0847 -3.4761 -3.3962 PRESSURE: 3689000 -10.4175 146.675 -84.5595 146.674 58.4688 -174.088 -84.5614 -174.088 -59.7848 GPRESSURE: 3689000 3.86231 122.308 -58.4549 203.126 117.818 -252.765 -82.811 -141.639 -33.8828 PRESSAVG: 3689000 30.4927 -92.5779 -27.1654 -92.5779 -4.6516 -26.1509 -27.1655 -26.1507 -1.56296 GPRESSAVG: 3689000 31.2019 -94.345 -28.5945 -90.7269 -5.00661 -26.4327 -28.0118 -29.4806 -1.97824 TIMING: 3689000 CPU: 10717.3, 0.00294081/step Wall: 10717.3, 0.00294081/step, 1.07095 hours remaining, 207.171875 MB of memory in use. ENERGY: 3689000 743.7955 2115.1431 1981.4435 119.9135 -206512.5592 18024.1981 0.0000 0.0000 34213.1079 -149314.9577 298.7916 -183528.0656 -149219.1011 299.3060 -3.9112 29.2658 557651.1216 8.0927 8.0723 PRESSURE: 3689200 -201.573 -45.7652 -11.41 -45.7646 -73.1278 -20.6887 -11.4099 -20.6887 38.4558 GPRESSURE: 3689200 -179.246 17.5881 40.4345 26.6889 -9.85569 32.1927 -59.3563 95.7174 43.5813 PRESSAVG: 3689200 -65.3293 -2.65839 31.7597 -2.65842 43.4694 -8.46429 31.7597 -8.4642 28.9737 GPRESSAVG: 3689200 -65.128 0.522964 29.8486 -3.06772 43.9283 -6.91767 33.212 -6.67922 27.9006 TIMING: 3689200 CPU: 10717.9, 0.00295153/step Wall: 10717.9, 0.00295153/step, 1.07468 hours remaining, 207.171875 MB of memory in use. ENERGY: 3689200 788.1501 2098.6413 1939.8034 102.9103 -206413.3534 17872.6520 0.0000 0.0000 34463.7102 -149147.4861 300.9802 -183611.1963 -149053.9349 299.3423 -78.7484 -48.5068 558832.0943 2.3713 2.2337 PRESSURE: 3689400 -0.121469 -86.4228 -10.7821 -86.4226 -158.504 -20.3963 -10.781 -20.3952 -78.912 GPRESSURE: 3689400 30.2537 4.96911 -39.6528 -62.2611 -161.851 -2.20779 -53.5621 -30.0949 0.960276 PRESSAVG: 3689400 -17.1408 3.68503 11.1252 3.68501 22.7706 -43.0294 11.1252 -43.0294 26.7294 GPRESSAVG: 3689400 -17.0469 2.92124 14.6533 3.54779 22.4415 -42.8774 10.0924 -43.4303 26.8425 TIMING: 3689400 CPU: 10718.5, 0.00291031/step Wall: 10718.5, 0.00291031/step, 1.05952 hours remaining, 207.171875 MB of memory in use. ENERGY: 3689400 759.1607 2128.1882 1933.3590 114.9649 -205953.4069 17648.1630 0.0000 0.0000 34366.8688 -149002.7023 300.1344 -183369.5711 -148907.6929 300.1020 -79.1792 -43.5456 558035.9756 10.7864 10.7457 PRESSURE: 3689600 -355.372 -53.3963 -14.5294 -53.3959 185.241 -180.155 -14.5289 -180.155 -58.8758 GPRESSURE: 3689600 -258.739 -99.7036 -21.9016 -52.9572 196.674 -210.18 5.27411 -154.3 -65.0402 PRESSAVG: 3689600 -57.4129 -2.46713 12.558 -2.46718 7.44686 -2.21392 12.5579 -2.21391 47.6747 GPRESSAVG: 3689600 -58.6373 -3.93932 13.5892 -3.28407 7.55312 -2.69738 11.1514 -3.38557 49.0235 TIMING: 3689600 CPU: 10719.1, 0.00292795/step Wall: 10719.1, 0.00292794/step, 1.06577 hours remaining, 207.171875 MB of memory in use. ENERGY: 3689600 725.3322 2070.1813 1968.5965 114.3221 -206139.2070 17849.6726 0.0000 0.0000 34422.0981 -148989.0042 300.6167 -183411.1023 -148893.6542 299.9858 -76.3356 -42.3684 559001.5715 -0.7638 -0.6869 PRESSURE: 3689800 -50.0757 16.1735 -104.668 16.1744 -55.1064 103.16 -104.667 103.159 39.6554 GPRESSURE: 3689800 -13.7035 -37.0871 -142.945 -37.6163 -26.903 42.5748 -158.47 137.402 74.1559 PRESSAVG: 3689800 -45.7235 3.31488 -54.6756 3.31487 11.0342 -26.4862 -54.6757 -26.4862 87.4567 GPRESSAVG: 3689800 -45.984 6.33474 -56.3603 2.77823 11.486 -25.9794 -53.3621 -24.8543 87.1254 TIMING: 3689800 CPU: 10719.7, 0.00293439/step Wall: 10719.7, 0.00293439/step, 1.06795 hours remaining, 207.171875 MB of memory in use. ENERGY: 3689800 788.0708 2065.4453 1950.8942 112.8506 -206357.7438 18055.2828 0.0000 0.0000 34256.4385 -149128.7616 299.1700 -183385.2001 -149036.7842 299.6171 -21.8422 11.1831 558610.9303 17.5891 17.5425 PRESSURE: 3690000 29.4644 -63.0198 -111.728 -63.0205 0.812075 -113.77 -111.727 -113.769 -48.6502 GPRESSURE: 3690000 55.3909 -45.5677 -56.5503 -72.4359 -2.10294 -73.1105 -206.315 -126.905 22.1523 PRESSAVG: 3690000 -1.35528 56.9312 -41.0575 56.9311 -4.59727 -41.5171 -41.0575 -41.5171 -4.81844 GPRESSAVG: 3690000 -0.600205 54.3667 -43.0624 57.6482 -5.39402 -43.3319 -39.2384 -42.3049 -4.36007 TIMING: 3690000 CPU: 10720.2, 0.00292919/step Wall: 10720.2, 0.00292919/step, 1.0659 hours remaining, 207.171875 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: 3690000 706.1599 2143.8335 1925.8568 119.3160 -206383.6496 17761.5254 0.0000 0.0000 34438.9921 -149287.9660 300.7643 -183726.9580 -149182.3327 299.5164 -6.1246 25.1468 557973.0420 -3.5903 -3.4514 PRESSURE: 3690200 -46.1493 39.459 96.399 39.4584 -52.5554 14.6514 96.3996 14.6513 -63.3494 GPRESSURE: 3690200 8.20292 8.15328 103.614 38.7077 1.24139 -20.4228 110.374 -39.9146 -80.3093 PRESSAVG: 3690200 -41.8656 -18.7501 -0.908262 -18.7501 -4.30505 -14.2613 -0.908232 -14.2615 36.4896 GPRESSAVG: 3690200 -41.8979 -20.0456 0.571321 -16.1393 -4.65468 -13.5705 1.07666 -15.7238 36.1775 TIMING: 3690200 CPU: 10720.8, 0.00293241/step Wall: 10720.8, 0.00293241/step, 1.06691 hours remaining, 207.171875 MB of memory in use. ENERGY: 3690200 779.2068 2086.3627 1966.7691 118.6450 -206226.8434 17872.7549 0.0000 0.0000 34185.9061 -149217.1988 298.5540 -183403.1050 -149122.3725 299.3616 -54.0180 -23.6217 558517.8066 -3.2270 -3.4584 PRESSURE: 3690400 -521.969 94.7228 45.9053 94.7235 -387.951 75.8138 45.9066 75.813 -515.714 GPRESSURE: 3690400 -457.694 117.7 64.6203 35.4915 -378.095 56.216 91.153 16.6643 -492.373 PRESSAVG: 3690400 -25.7617 35.0358 19.7576 35.0358 -18.5112 41.7542 19.7576 41.7543 71.8801 GPRESSAVG: 3690400 -23.8703 36.0263 19.5488 32.8851 -19.3241 41.5293 18.9349 43.243 71.4981 TIMING: 3690400 CPU: 10721.4, 0.00291112/step Wall: 10721.4, 0.00291112/step, 1.059 hours remaining, 207.171875 MB of memory in use. ENERGY: 3690400 794.6524 2105.5652 1946.9370 122.9127 -205676.5496 17265.4963 0.0000 0.0000 34387.4358 -149053.5504 300.3140 -183440.9861 -148958.8963 299.5903 -475.2115 -442.7204 559038.9371 9.2024 9.4346 PRESSURE: 3690600 88.453 125.256 54.6132 125.256 146.046 60.4776 54.6136 60.479 39.3987 GPRESSURE: 3690600 123.424 216.914 113.153 148.409 188.067 132.586 -16.6649 76.634 59.9369 PRESSAVG: 3690600 92.3479 18.7724 -35.3986 18.7724 -31.7235 38.2969 -35.3986 38.2971 -70.2036 GPRESSAVG: 3690600 91.6842 17.9022 -36.5964 19.9192 -30.8197 38.7681 -37.5028 38.5828 -69.9167 TIMING: 3690600 CPU: 10722, 0.00291744/step Wall: 10722, 0.00291744/step, 1.06114 hours remaining, 207.171875 MB of memory in use. ENERGY: 3690600 741.9678 2101.7736 1970.6186 114.2268 -206431.0860 18011.3206 0.0000 0.0000 34383.1469 -149108.0317 300.2766 -183491.1787 -149010.6361 300.0151 91.2991 123.8093 558311.0498 -3.1930 -3.0174 PRESSURE: 3690800 -155.22 17.3379 37.6984 17.3379 -109.765 -100.839 37.6978 -100.84 -300.599 GPRESSURE: 3690800 -174.562 146.675 50.5431 -1.87008 -132.35 -148.651 28.1944 -18.8771 -169.991 PRESSAVG: 3690800 1.90934 -16.4808 18.6993 -16.4809 -14.6078 -32.4154 18.6993 -32.4152 55.4705 GPRESSAVG: 3690800 1.40457 -13.5729 19.8478 -18.1024 -14.228 -30.8386 19.4392 -34.7481 55.2893 TIMING: 3690800 CPU: 10722.6, 0.00293523/step Wall: 10722.6, 0.00293523/step, 1.06744 hours remaining, 207.171875 MB of memory in use. ENERGY: 3690800 699.4618 2117.5532 1964.1530 122.2020 -205720.3970 17346.3005 0.0000 0.0000 34148.5108 -149322.2158 298.2274 -183470.7267 -149223.4720 299.5923 -188.5279 -158.9678 557438.9586 14.2573 14.1553 PRESSURE: 3691000 -73.7194 -170.829 51.6189 -170.829 -175.938 61.9056 51.6188 61.9044 8.40942 GPRESSURE: 3691000 -8.21946 -139.296 53.7198 -211.21 -208.325 21.5103 0.377304 -54.8684 66.1289 PRESSAVG: 3691000 58.245 21.7372 22.9828 21.7373 3.2542 -15.112 22.9828 -15.112 -19.3222 GPRESSAVG: 3691000 58.3787 22.8367 24.2699 21.2262 3.24469 -17.1071 21.2019 -13.5999 -19.3766 TIMING: 3691000 CPU: 10723.2, 0.0029204/step Wall: 10723.2, 0.0029204/step, 1.06189 hours remaining, 207.171875 MB of memory in use. ENERGY: 3691000 736.9233 2101.9233 1970.1497 106.3078 -206323.5000 17885.4545 0.0000 0.0000 34247.6752 -149275.0662 299.0935 -183522.7414 -149172.4433 299.0024 -80.4159 -50.1384 558064.0956 14.0590 14.0823 PRESSURE: 3691200 -136.709 -27.525 69.1148 -27.5252 -219.046 -10.0912 69.1142 -10.0915 -120.249 GPRESSURE: 3691200 -56.0198 -88.1471 24.1684 -61.1478 -211.931 -18.4141 125.423 7.10765 -98.1133 PRESSAVG: 3691200 30.3585 -32.3236 5.16554 -32.3236 -34.8958 -28.2284 5.16553 -28.2285 -26.5641 GPRESSAVG: 3691200 31.7259 -34.9273 4.17832 -30.868 -34.7541 -28.3082 7.7239 -28.7678 -27.9603 TIMING: 3691200 CPU: 10723.8, 0.00293988/step Wall: 10723.8, 0.00293988/step, 1.06881 hours remaining, 207.171875 MB of memory in use. ENERGY: 3691200 763.2624 2069.1662 1959.6594 126.7334 -206093.3343 17672.0443 0.0000 0.0000 34185.6950 -149316.7735 298.5522 -183502.4685 -149218.2954 298.4257 -158.6684 -122.0215 558149.9526 -10.3671 -10.3295 PRESSURE: 3691400 -78.6201 -5.44128 -24.6503 -5.4402 -92.7155 -53.788 -24.6495 -53.7889 -327.849 GPRESSURE: 3691400 -117.412 83.177 34.8941 -120.315 -3.68329 -20.0089 -76.4202 -73.7682 -286.188 PRESSAVG: 3691400 69.147 -1.34913 25.2663 -1.34912 48.0093 -36.2609 25.2663 -36.261 -85.0381 GPRESSAVG: 3691400 68.3895 -0.987721 23.5631 -1.60673 48.1866 -37.9139 24.2703 -34.7646 -84.2138 TIMING: 3691400 CPU: 10724.3, 0.0029326/step Wall: 10724.3, 0.0029326/step, 1.066 hours remaining, 207.171875 MB of memory in use. ENERGY: 3691400 785.1966 2017.2982 1943.0297 107.8049 -205787.7372 17539.8791 0.0000 0.0000 34163.0036 -149231.5251 298.3540 -183394.5288 -149137.6756 298.9085 -166.3948 -135.7610 558116.2145 10.7061 10.7874 PRESSURE: 3691600 -36.3789 -114.944 -144.438 -114.945 -16.0052 26.6732 -144.438 26.6743 1.95556 GPRESSURE: 3691600 -7.62815 -169.142 -67.2102 -86.1972 -9.63399 29.8531 -190.461 -1.63406 61.701 PRESSAVG: 3691600 23.3695 -5.84104 -33.5406 -5.84111 -4.78679 -38.86 -33.5406 -38.8599 -39.0452 GPRESSAVG: 3691600 22.8701 -6.3214 -33.0769 -5.44037 -3.91191 -36.4387 -31.0343 -42.6467 -39.1169 TIMING: 3691600 CPU: 10724.9, 0.00289352/step Wall: 10724.9, 0.00289352/step, 1.05163 hours remaining, 207.171875 MB of memory in use. ENERGY: 3691600 746.6053 2056.3564 1945.6609 108.8895 -206252.9467 17852.1685 0.0000 0.0000 34258.0285 -149285.2376 299.1839 -183543.2661 -149194.3517 299.0698 -16.8095 14.8129 555998.9740 -6.8208 -6.7196 PRESSURE: 3691800 200.559 38.1501 -89.9405 38.1496 -244.435 -98.3185 -89.9399 -98.3192 74.234 GPRESSURE: 3691800 242.848 18.8152 -146.669 50.512 -261.912 -127.917 -84.9291 -12.551 145.219 PRESSAVG: 3691800 47.4718 23.7324 -52.0933 23.7325 18.0826 -46.6205 -52.0933 -46.6205 -43.8473 GPRESSAVG: 3691800 47.2001 23.2054 -50.4625 23.2044 18.9886 -48.8808 -54.5748 -44.5159 -44.4025 TIMING: 3691800 CPU: 10725.5, 0.00293385/step Wall: 10725.5, 0.00293385/step, 1.06613 hours remaining, 207.171875 MB of memory in use. ENERGY: 3691800 769.7816 2020.3823 1945.3487 98.6295 -206222.8591 17801.8155 0.0000 0.0000 34259.6318 -149327.2696 299.1979 -183586.9013 -149236.5008 299.3613 10.1193 42.0519 557307.5088 7.2357 7.2621 PRESSURE: 3692000 -66.2325 -135.384 -209.715 -135.384 -13.8058 38.6568 -209.715 38.6576 177.006 GPRESSURE: 3692000 -9.72537 -115.72 -159.865 -172.613 -2.40251 148.022 -131.333 -71.2927 204.317 PRESSAVG: 3692000 67.4866 34.2378 -21.3468 34.2378 21.5978 33.4416 -21.3468 33.4416 -49.0464 GPRESSAVG: 3692000 67.6979 36.8701 -21.0882 34.4246 20.4776 34.2393 -21.5395 34.4231 -47.8018 TIMING: 3692000 CPU: 10726.1, 0.00290322/step Wall: 10726.1, 0.00290322/step, 1.05483 hours remaining, 207.171875 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: 3692000 742.8388 2041.0487 1936.1441 114.0406 -206028.3070 17813.9692 0.0000 0.0000 34097.9889 -149282.2768 297.7862 -183380.2657 -149191.3264 299.0012 32.3226 64.0630 557862.7230 13.3460 13.4579 PRESSURE: 3692200 107.051 115.485 60.1753 115.486 -200.698 -81.0149 60.1747 -81.014 -143.102 GPRESSURE: 3692200 94.0923 181.089 52.5305 58.6967 -137.169 -91.1648 49.1025 -93.3437 -75.5734 PRESSAVG: 3692200 22.0752 22.0996 -53.018 22.0996 -42.2009 40.1449 -53.018 40.145 7.66699 GPRESSAVG: 3692200 21.6743 21.7842 -53.5766 23.7605 -41.2655 40.6218 -53.3101 38.8924 7.57122 TIMING: 3692200 CPU: 10726.7, 0.00290967/step Wall: 10726.7, 0.00290967/step, 1.05702 hours remaining, 207.171875 MB of memory in use. ENERGY: 3692200 769.3021 2073.1315 1925.6256 109.1033 -206422.3244 17814.3721 0.0000 0.0000 34211.5852 -149519.2047 298.7783 -183730.7899 -149427.0457 298.8914 -78.9161 -39.5500 556074.3572 -4.1529 -4.0067 LDB: ============= START OF LOAD BALANCING ============== 10730.1 LDB: ============== END OF LOAD BALANCING =============== 10730.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10730.1 LDB: ============= START OF LOAD BALANCING ============== 10730.4 LDB: Largest compute 4820 load 0.031279 is 26.6% of average load 0.117777 LDB: Average compute 0.001738 is 1.5% of average load 0.117777 LDB: TIME 10730.4 LOAD: AVG 0.117777 MAX 0.184346 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.418 MB LDB: TIME 10730.4 LOAD: AVG 0.117777 MAX 0.184346 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.422 MB LDB: TIME 10730.4 LOAD: AVG 0.117777 MAX 0.184346 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.422 MB LDB: ============== END OF LOAD BALANCING =============== 10730.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10730.4 PRESSURE: 3692400 74.3229 26.2534 -33.2851 26.2539 -337.678 -23.155 -33.2853 -23.1544 -31.4719 GPRESSURE: 3692400 101.613 27.8769 -21.2105 -22.4034 -356.191 -24.5497 -40.3311 -49.0062 64.7754 PRESSAVG: 3692400 105.679 16.0827 -6.63961 16.0828 -97.509 -21.1781 -6.63946 -21.1782 -26.9552 GPRESSAVG: 3692400 104.89 15.0798 -6.62676 15.0166 -98.1137 -19.641 -4.49839 -21.6015 -26.0071 TIMING: 3692400 CPU: 10727.3, 0.00298463/step Wall: 10727.3, 0.00298463/step, 1.08408 hours remaining, 206.843750 MB of memory in use. ENERGY: 3692400 757.3083 2037.2813 1960.5126 129.1753 -206388.0920 17879.4361 0.0000 0.0000 34007.0306 -149617.3479 296.9919 -183624.3785 -149518.0836 298.4235 -98.2757 -63.2677 558429.5778 -6.2617 -6.4102 PRESSURE: 3692600 251.499 21.825 -126.286 21.8237 86.8957 -92.4426 -126.287 -92.4415 103.667 GPRESSURE: 3692600 222.505 -44.7786 -156.27 6.23703 126.81 -125.302 -154.446 -89.9086 177.277 PRESSAVG: 3692600 5.13892 -7.90483 4.74428 -7.90489 -32.8797 15.1722 4.74437 15.1722 54.2355 GPRESSAVG: 3692600 5.79896 -10.6094 4.74493 -5.6769 -32.3039 12.132 4.36825 16.6223 52.8282 TIMING: 3692600 CPU: 10727.9, 0.00292129/step Wall: 10727.9, 0.00292129/step, 1.06091 hours remaining, 206.914062 MB of memory in use. ENERGY: 3692600 704.2853 2121.4491 1938.7292 100.7039 -206765.2177 18149.5710 0.0000 0.0000 34292.3925 -149458.0868 299.4840 -183750.4793 -149358.7200 298.5658 147.3540 175.5307 557441.4602 8.8316 8.7744 PRESSURE: 3692800 205.986 -162.012 56.5862 -162.013 17.015 -136.151 56.5869 -136.154 69.482 GPRESSURE: 3692800 233.083 -160.737 21.1049 -149.815 82.0626 -184.486 21.5253 -140.432 60.6582 PRESSAVG: 3692800 -6.84593 -6.95166 -22.4757 -6.95162 -15.2031 -60.5516 -22.4758 -60.5516 24.6929 GPRESSAVG: 3692800 -5.93352 -4.56278 -21.8969 -8.50988 -16.4234 -58.6415 -26.9965 -62.2066 24.7518 TIMING: 3692800 CPU: 10728.4, 0.00293053/step Wall: 10728.4, 0.00293053/step, 1.06411 hours remaining, 207.214844 MB of memory in use. ENERGY: 3692800 737.6052 2081.5526 1927.9600 103.3560 -206302.3784 17909.5452 0.0000 0.0000 34147.3489 -149395.0103 298.2173 -183542.3592 -149297.0996 298.6302 97.4943 125.2679 556282.6304 0.8813 0.7983 PRESSURE: 3693000 -338.122 37.5983 5.70271 37.5992 -279.824 10.5507 5.70246 10.5499 -227.242 GPRESSURE: 3693000 -270.101 65.6386 43.837 62.935 -262.034 38.8714 -17.0067 6.49191 -215.816 PRESSAVG: 3693000 -28.357 -36.3972 -8.67851 -36.3973 -26.8552 -87.9828 -8.67842 -87.9828 29.962 GPRESSAVG: 3693000 -29.3516 -36.9039 -8.52921 -35.3857 -26.1365 -88.4059 -5.50104 -85.7665 30.4274 TIMING: 3693000 CPU: 10729, 0.00292007/step Wall: 10729, 0.00292007/step, 1.06015 hours remaining, 207.214844 MB of memory in use. ENERGY: 3693000 793.6657 2086.2271 1967.8580 101.9352 -206114.1927 17588.4600 0.0000 0.0000 34372.3525 -149203.6942 300.1823 -183576.0468 -149115.4999 298.8875 -281.7295 -249.3170 558831.4066 -8.4167 -8.3536 PRESSURE: 3693200 -89.0622 78.2301 -77.5269 78.2292 -121.569 -56.2773 -77.5265 -56.2763 -54.7363 GPRESSURE: 3693200 -110.475 46.6665 -47.5664 83.8759 -43.2191 -39.526 -73.0221 47.5442 -20.3382 PRESSAVG: 3693200 -30.6633 26.6635 -39.1711 26.6634 -60.4498 0.260522 -39.1711 0.260525 69.9114 GPRESSAVG: 3693200 -30.1245 27.306 -39.6359 23.6636 -61.3308 0.583773 -38.6934 -2.17885 70.144 TIMING: 3693200 CPU: 10729.6, 0.00293668/step Wall: 10729.6, 0.00293668/step, 1.06602 hours remaining, 207.281250 MB of memory in use. ENERGY: 3693200 750.4922 2047.4736 1957.3910 109.1357 -206245.1823 17760.2173 0.0000 0.0000 34358.8799 -149261.5927 300.0646 -183620.4726 -149175.3338 299.0352 -88.4559 -58.0109 559262.2170 -7.0672 -7.1038 PRESSURE: 3693400 -297.323 -90.6084 -118.131 -90.6089 -99.944 3.98427 -118.131 3.98381 25.6422 GPRESSURE: 3693400 -239.356 -154.439 -124.579 -149.308 -69.5993 7.63099 -58.6388 30.5948 37.7142 PRESSAVG: 3693400 -76.3024 23.019 1.6789 23.0191 73.4609 -10.0432 1.67895 -10.0432 -0.160384 GPRESSAVG: 3693400 -76.9914 21.0624 0.152422 25.0721 74.7242 -11.6797 1.65044 -6.31898 -1.12934 TIMING: 3693400 CPU: 10730.2, 0.002941/step Wall: 10730.2, 0.002941/step, 1.06742 hours remaining, 207.281250 MB of memory in use. ENERGY: 3693400 755.4933 2115.3929 1953.6492 108.0826 -206186.7015 17822.7254 0.0000 0.0000 34211.7942 -149219.5639 298.7801 -183431.3581 -149126.5126 298.5447 -123.8750 -90.4135 558759.0370 -1.0006 -1.1322 PRESSURE: 3693600 -101.152 190.068 -87.2076 190.067 -262.398 -42.7873 -87.2088 -42.7874 -340.25 GPRESSURE: 3693600 -165.643 132.907 -114.89 113.915 -189.345 -54.1556 -63.1995 -37.771 -267.863 PRESSAVG: 3693600 -72.9039 -11.8319 -19.603 -11.832 9.07667 -25.7965 -19.603 -25.7965 64.6189 GPRESSAVG: 3693600 -72.6004 -10.2648 -19.7267 -12.475 7.48085 -25.5159 -19.9628 -27.2221 65.7285 TIMING: 3693600 CPU: 10730.8, 0.00294266/step Wall: 10730.8, 0.00294266/step, 1.06786 hours remaining, 207.281250 MB of memory in use. ENERGY: 3693600 715.1272 2103.1618 1941.8978 107.6221 -206164.8286 17647.3537 0.0000 0.0000 34397.2935 -149252.3724 300.4001 -183649.6659 -149159.7607 298.4722 -234.6002 -207.6171 558672.6765 0.2639 0.2030 PRESSURE: 3693800 -174.563 132.132 56.225 132.131 -61.8214 95.4872 56.2253 95.4882 -221.391 GPRESSURE: 3693800 -101.158 99.8533 23.6242 87.3585 -44.9016 58.7344 118.151 -1.97488 -205.24 PRESSAVG: 3693800 -55.105 15.3833 -45.7085 15.3832 60.1391 -0.159262 -45.7084 -0.159284 19.6861 GPRESSAVG: 3693800 -55.2277 16.4409 -45.0232 15.1303 60.4794 -0.382472 -45.5007 -1.89029 18.6945 TIMING: 3693800 CPU: 10731.4, 0.00294024/step Wall: 10731.4, 0.00294024/step, 1.06682 hours remaining, 207.281250 MB of memory in use. ENERGY: 3693800 718.0350 2106.4461 1946.4116 108.5896 -205832.2735 17544.1466 0.0000 0.0000 34119.8569 -149288.7879 297.9772 -183408.6448 -149185.6590 298.7348 -152.5919 -117.0998 559343.5487 8.2401 7.9821 PRESSURE: 3694000 -152.827 -22.5257 -21.8261 -22.5265 -4.1424 -186.423 -21.8256 -186.424 -39.0752 GPRESSURE: 3694000 -98.0911 -58.4729 -122.676 -43.5656 24.3945 -118.344 49.6559 -210.836 -25.7055 PRESSAVG: 3694000 -49.2404 -1.12602 56.3548 -1.12611 -5.10218 -9.61749 56.3548 -9.61763 -7.55791 GPRESSAVG: 3694000 -49.6649 -1.49837 55.0337 -0.287896 -4.82419 -10.1587 57.2098 -7.52032 -8.02405 TIMING: 3694000 CPU: 10732, 0.00293887/step Wall: 10732, 0.00293887/step, 1.06616 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3694000 710.4193 2069.0562 1938.3673 124.4368 -205896.1057 17691.1355 0.0000 0.0000 34174.9376 -149187.7530 298.4582 -183362.6905 -149089.6716 298.2946 -65.3481 -33.1341 559124.6701 -20.6335 -20.8377 PRESSURE: 3694200 -130.465 -76.8835 47.0801 -76.8839 166.514 -70.0652 47.0792 -70.0651 -1.00797 GPRESSURE: 3694200 -69.7316 -135.354 7.43583 -80.8707 218.806 -19.0157 76.0493 -67.8 -9.66459 PRESSAVG: 3694200 3.4184 -72.0764 28.8602 -72.0764 56.6233 -25.1661 28.8602 -25.166 -51.8937 GPRESSAVG: 3694200 4.32803 -72.5281 28.4637 -72.42 56.5052 -24.5515 28.8538 -25.3035 -52.2066 TIMING: 3694200 CPU: 10732.6, 0.00294752/step Wall: 10732.6, 0.00294752/step, 1.06913 hours remaining, 207.281250 MB of memory in use. ENERGY: 3694200 728.2300 2116.8841 1934.2882 107.9854 -205797.6969 17620.4208 0.0000 0.0000 34127.3677 -149162.5206 298.0428 -183289.8884 -149065.4355 298.9161 11.6805 46.4699 557693.7888 2.7160 2.8756 PRESSURE: 3694400 4.02399 -56.5172 -99.4795 -56.5174 -113.25 24.3542 -99.4809 24.3537 108.005 GPRESSURE: 3694400 96.9892 -28.094 -109.303 -34.1519 -119.756 50.8582 -69.2238 51.1698 111.743 PRESSAVG: 3694400 27.7357 20.0371 -17.5966 20.0372 64.7961 14.6941 -17.5966 14.6942 -88.1832 GPRESSAVG: 3694400 27.0382 18.1948 -15.5943 22.7358 64.165 16.3435 -19.3839 14.3107 -87.3979 TIMING: 3694400 CPU: 10733.1, 0.00293356/step Wall: 10733.1, 0.00293356/step, 1.06391 hours remaining, 207.281250 MB of memory in use. ENERGY: 3694400 719.0788 2094.6069 1979.3431 109.1241 -206071.2355 17796.5828 0.0000 0.0000 34290.2226 -149082.2772 299.4650 -183372.4998 -148978.9740 299.4926 -0.4070 29.6588 557545.0946 1.4495 1.2684 PRESSURE: 3694600 -31.2345 12.4526 126.683 12.4517 -21.4407 16.0392 126.684 16.0392 142.792 GPRESSURE: 3694600 -39.6959 -122.159 163.315 79.8031 46.8903 60.1071 95.9973 35.5691 171.021 PRESSAVG: 3694600 -26.8558 24.1229 -14.7902 24.1228 99.1415 -19.3004 -14.7901 -19.3003 -32.898 GPRESSAVG: 3694600 -26.4479 26.9621 -15.3226 19.9103 100.298 -19.2621 -13.7587 -20.2558 -34.2807 TIMING: 3694600 CPU: 10733.7, 0.00292989/step Wall: 10733.7, 0.00292989/step, 1.06241 hours remaining, 207.281250 MB of memory in use. ENERGY: 3694600 760.0688 2070.7615 1952.3011 99.0470 -206154.6865 17794.3093 0.0000 0.0000 34348.8573 -149129.3416 299.9771 -183478.1989 -149028.2300 299.2914 30.0389 59.4053 557916.8373 13.1292 13.1897 PRESSURE: 3694800 117.797 -15.093 76.0828 -15.0928 -250.279 -104.191 76.082 -104.191 -112.38 GPRESSURE: 3694800 155.66 72.5381 78.8033 -33.9185 -242.192 -70.0876 81.1903 -203.162 -51.0656 PRESSAVG: 3694800 21.9821 -36.7426 -18.1518 -36.7425 -16.9241 -15.0418 -18.1518 -15.0418 -5.2556 GPRESSAVG: 3694800 21.3509 -38.105 -17.5085 -34.8112 -17.4925 -14.8213 -19.5303 -13.7492 -3.89598 TIMING: 3694800 CPU: 10734.3, 0.002909/step Wall: 10734.3, 0.002909/step, 1.05468 hours remaining, 207.281250 MB of memory in use. ENERGY: 3694800 733.6469 2147.6288 1934.5508 94.1609 -206142.3568 17788.0751 0.0000 0.0000 34203.9639 -149240.3304 298.7117 -183444.2943 -149144.4444 298.7375 -81.6206 -45.8659 559365.8696 -0.0659 -0.0125 PRESSURE: 3695000 -304.9 -76.1731 -22.4422 -76.172 -58.8718 28.2729 -22.443 28.2743 -27.2682 GPRESSURE: 3695000 -266.127 -119.944 -22.4997 -103.489 -62.0988 152.739 -54.2047 -33.4675 34.9746 PRESSAVG: 3695000 9.02216 19.0386 17.7957 19.0386 -40.9677 -37.9905 17.7955 -37.9906 68.4312 GPRESSAVG: 3695000 9.34771 19.0696 18.0187 20.5595 -40.2958 -39.1871 17.1951 -36.0817 67.5719 TIMING: 3695000 CPU: 10734.9, 0.00291468/step Wall: 10734.9, 0.00291468/step, 1.05657 hours remaining, 207.281250 MB of memory in use. ENERGY: 3695000 751.0005 2163.2824 1937.9162 106.5213 -205942.1963 17601.1668 0.0000 0.0000 34068.8806 -149313.4284 297.5320 -183382.3091 -149224.3763 298.0637 -130.3465 -97.7505 558720.0317 12.1619 12.2080 PRESSURE: 3695200 142.509 -226.744 65.9124 -226.745 128.987 55.3462 65.9107 55.3489 -90.77 GPRESSURE: 3695200 226.579 -199.826 177.863 -228.404 163.598 106.111 -18.2169 29.1533 -107.344 PRESSAVG: 3695200 14.8068 7.63815 13.8257 7.63812 41.0414 -44.5304 13.8256 -44.5304 -40.2225 GPRESSAVG: 3695200 14.5224 7.86845 15.0214 6.10211 41.1172 -46.2277 12.5991 -45.2405 -39.8273 TIMING: 3695200 CPU: 10735.5, 0.00292536/step Wall: 10735.5, 0.00292536/step, 1.06028 hours remaining, 207.281250 MB of memory in use. ENERGY: 3695200 776.7035 2058.5104 1953.2705 124.2268 -206600.4916 18023.9735 0.0000 0.0000 34201.4998 -149462.3072 298.6902 -183663.8070 -149371.2828 298.5924 60.2421 94.2776 556242.8289 5.2086 5.2708 PRESSURE: 3695400 -233.685 50.0673 49.0226 50.0673 -153.28 -159.045 49.0226 -159.044 -90.0751 GPRESSURE: 3695400 -204.159 76.1619 -1.98126 -27.301 -136.176 -160.51 98.1388 -228.289 -46.0008 PRESSAVG: 3695400 -24.8284 -78.3787 -9.23363 -78.3786 33.1469 -5.33434 -9.23357 -5.33444 -3.42423 GPRESSAVG: 3695400 -25.0476 -77.2328 -8.72314 -79.0088 32.355 -4.44304 -7.40045 -5.53322 -2.72533 TIMING: 3695400 CPU: 10736.1, 0.0029405/step Wall: 10736.1, 0.0029405/step, 1.0656 hours remaining, 207.281250 MB of memory in use. ENERGY: 3695400 774.8704 2056.1158 1948.0302 113.5566 -205940.9320 17537.3350 0.0000 0.0000 34209.6033 -149301.4207 298.7610 -183511.0241 -149205.7859 299.0275 -159.0134 -128.7788 557290.8614 1.6314 1.5273 PRESSURE: 3695600 -3.83973 -15.267 36.3265 -15.2674 22.0581 -117.036 36.3253 -117.035 122.953 GPRESSURE: 3695600 9.64298 73.5205 -57.0492 -17.4097 71.0588 -114.794 28.4496 -60.0663 147.352 PRESSAVG: 3695600 -0.750196 77.6281 54.2422 77.628 -53.3588 -28.2487 54.2422 -28.2487 111.47 GPRESSAVG: 3695600 -0.590629 78.3211 53.0992 78.2704 -53.9422 -28.3331 56.5616 -27.9983 111.796 TIMING: 3695600 CPU: 10736.6, 0.00291629/step Wall: 10736.6, 0.00291629/step, 1.05667 hours remaining, 207.281250 MB of memory in use. ENERGY: 3695600 783.0244 2127.6966 1937.3985 92.8810 -206165.8154 17621.8500 0.0000 0.0000 34121.3378 -149481.6272 297.9901 -183602.9650 -149380.3942 298.2955 47.0572 76.0179 555384.2385 19.1205 19.0876 PRESSURE: 3695800 -278.264 -28.354 -112.547 -28.3553 79.3332 56.6478 -112.549 56.647 68.6205 GPRESSURE: 3695800 -219.39 101.519 -94.3831 -49.0232 103.539 -12.9628 -104.403 48.3734 80.2708 PRESSAVG: 3695800 -80.4895 28.7976 44.8108 28.7975 39.5363 6.69231 44.8107 6.69232 26.6484 GPRESSAVG: 3695800 -80.312 28.0092 43.7145 29.2281 40.7145 6.48761 43.0453 5.51208 25.8297 TIMING: 3695800 CPU: 10737.2, 0.00293236/step Wall: 10737.2, 0.00293236/step, 1.06233 hours remaining, 207.281250 MB of memory in use. ENERGY: 3695800 741.2515 2088.5866 1928.3293 95.0224 -206538.6169 17941.7899 0.0000 0.0000 34151.5023 -149592.1349 298.2536 -183743.6371 -149494.6601 298.4846 -43.4368 -11.8600 556335.5658 -4.7682 -4.5893 PRESSURE: 3696000 209.714 81.4917 -47.5942 81.4918 -248.646 54.9524 -47.5945 54.9517 15.8613 GPRESSURE: 3696000 223.887 83.1502 -9.61005 73.4889 -224.462 84.4351 -81.8046 64.1621 63.1658 PRESSAVG: 3696000 8.81543 41.7261 11.6167 41.726 47.3108 2.61176 11.6168 2.61178 -50.6918 GPRESSAVG: 3696000 8.59247 41.2075 10.6792 41.779 47.1664 3.72714 12.7219 2.35737 -50.4186 TIMING: 3696000 CPU: 10737.8, 0.00292016/step Wall: 10737.8, 0.00292016/step, 1.05775 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3696000 751.1186 2138.8030 1917.9313 118.6917 -206433.4128 17898.8139 0.0000 0.0000 34024.0214 -149584.0330 297.1402 -183608.0544 -149486.5664 297.9866 -7.6900 20.8635 557805.4976 1.8115 1.7801 PRESSURE: 3696200 -254.643 -25.1568 -149.405 -25.1561 -184.725 75.8685 -149.406 75.8684 -34.6269 GPRESSURE: 3696200 -254.929 20.775 -178.408 -22.9659 -183.271 98.7654 -126.436 20.9653 54.4922 PRESSAVG: 3696200 22.6131 15.6264 -31.75 15.6264 -37.2121 -35.0349 -31.7499 -35.0348 45.795 GPRESSAVG: 3696200 22.599 15.2044 -31.4056 14.3504 -37.4838 -35.8687 -32.1426 -34.5389 46.324 TIMING: 3696200 CPU: 10738.4, 0.00291675/step Wall: 10738.4, 0.00291675/step, 1.05635 hours remaining, 207.281250 MB of memory in use. ENERGY: 3696200 754.1375 2111.7423 1942.9368 108.4016 -206095.2699 17602.1602 0.0000 0.0000 34040.6265 -149535.2648 297.2853 -183575.8913 -149439.8482 298.0765 -157.9985 -127.9023 559156.5390 10.3987 10.4797 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 ============== 10742.2 LDB: Largest compute 4820 load 0.031680 is 26.9% of average load 0.117765 LDB: Average compute 0.001734 is 1.5% of average load 0.117765 LDB: TIME 10742.2 LOAD: AVG 0.117765 MAX 0.186256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 10742.2 LOAD: AVG 0.117765 MAX 0.186256 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 10742.2 LOAD: AVG 0.117765 MAX 0.186256 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10742.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10742.2 PRESSURE: 3696400 -226.579 153.239 -115.464 153.239 -120.287 -47.6998 -115.463 -47.7008 -123.285 GPRESSURE: 3696400 -197.932 136.548 -183.231 108.904 -78.2798 -104.868 -93.6767 -52.7179 -108.079 PRESSAVG: 3696400 -69.5882 35.6116 -28.8533 35.6116 -37.0593 -33.5226 -28.8532 -33.5227 68.5944 GPRESSAVG: 3696400 -68.6401 36.8467 -27.4317 35.1079 -38.192 -35.8035 -30.0833 -31.2262 68.348 TIMING: 3696400 CPU: 10739, 0.00296472/step Wall: 10739, 0.00296472/step, 1.07356 hours remaining, 208.179688 MB of memory in use. ENERGY: 3696400 776.5012 2118.9022 1945.8639 106.3669 -206084.4286 17626.5065 0.0000 0.0000 34166.3455 -149343.9424 298.3832 -183510.2878 -149254.0355 298.4894 -156.7168 -128.0969 557902.8941 -12.6844 -12.8280 PRESSURE: 3696600 -17.3103 -44.5379 -56.6204 -44.5369 -338.498 131.111 -56.6207 131.113 85.8682 GPRESSURE: 3696600 -28.8709 -64.912 -39.2164 -34.719 -250.512 205.279 -81.5293 77.5952 97.936 PRESSAVG: 3696600 10.9021 6.93691 -20.8183 6.93685 -28.0217 18.651 -20.8184 18.6511 24.0313 GPRESSAVG: 3696600 10.2711 5.20587 -19.784 9.22797 -25.7277 21.8356 -22.1533 14.9323 22.8031 TIMING: 3696600 CPU: 10739.6, 0.00294729/step Wall: 10739.6, 0.00294729/step, 1.06708 hours remaining, 208.382812 MB of memory in use. ENERGY: 3696600 727.1828 2051.0964 1952.9065 121.8297 -206060.3616 17717.5412 0.0000 0.0000 34286.1849 -149203.6201 299.4298 -183489.8050 -149111.6468 298.9665 -89.9801 -60.4824 557623.8211 2.3039 2.4488 PRESSURE: 3696800 -88.8996 -61.409 -216.891 -61.4075 124.339 4.151 -216.891 4.15201 -80.7154 GPRESSURE: 3696800 -38.7393 1.09361 -179.963 -108.209 159.023 42.656 -152.088 27.3726 -52.3471 PRESSAVG: 3696800 -17.0415 2.59833 -47.7292 2.59831 -9.68704 -95.3749 -47.7291 -95.3749 48.7301 GPRESSAVG: 3696800 -17.8405 3.36827 -49.164 1.30993 -9.92823 -95.184 -46.7678 -92.8249 50.3893 TIMING: 3696800 CPU: 10740.2, 0.00294661/step Wall: 10740.2, 0.00294661/step, 1.06667 hours remaining, 208.382812 MB of memory in use. ENERGY: 3696800 730.0410 2104.5498 1975.3070 123.7109 -205922.2343 17649.0494 0.0000 0.0000 34303.2978 -149036.2784 299.5792 -183339.5762 -148944.2760 299.4957 -15.0921 22.6455 556996.3626 7.3339 7.5402 PRESSURE: 3697000 -93.1924 209.472 -16.9798 209.473 89.6959 -28.5067 -16.9805 -28.5067 -106.588 GPRESSURE: 3697000 -33.293 215.346 -66.6713 147.413 121.411 -135.742 117.082 -7.67298 -107.23 PRESSAVG: 3697000 -55.3807 3.60783 -44.3058 3.60786 60.9023 -79.3293 -44.3057 -79.3293 -25.628 GPRESSAVG: 3697000 -54.2949 2.87926 -43.5635 4.41664 61.0668 -80.0785 -43.3816 -80.9535 -26.8284 TIMING: 3697000 CPU: 10740.8, 0.00292925/step Wall: 10740.8, 0.00292925/step, 1.06023 hours remaining, 208.382812 MB of memory in use. ENERGY: 3697000 741.2377 2078.0746 1962.1058 123.2597 -205880.0995 17701.5688 0.0000 0.0000 34275.6995 -148998.1534 299.3382 -183273.8528 -148900.0183 300.1432 -36.6948 -6.3707 558462.7798 -6.7021 -6.6855 PRESSURE: 3697200 39.8372 -82.0476 71.067 -82.0469 48.2772 114.781 71.0657 114.781 -124.206 GPRESSURE: 3697200 77.2705 -49.4405 91.3701 -184.341 78.7315 144.205 -4.74074 51.1238 -91.7876 PRESSAVG: 3697200 -23.5728 27.3294 20.6992 27.3294 15.6796 -54.7266 20.6992 -54.7265 -3.47359 GPRESSAVG: 3697200 -23.3028 27.6881 22.6512 26.6899 15.0896 -54.5742 19.6124 -55.2594 -3.05005 TIMING: 3697200 CPU: 10741.3, 0.0029175/step Wall: 10741.3, 0.0029175/step, 1.05581 hours remaining, 208.382812 MB of memory in use. ENERGY: 3697200 769.9838 2128.9856 1959.9412 111.3811 -206423.7578 17907.5633 0.0000 0.0000 34569.8765 -148976.0263 301.9073 -183545.9029 -148887.2199 300.1600 -12.0304 21.4048 556962.1602 -3.7889 -3.7544 PRESSURE: 3697400 -165.55 128.206 -54.1279 128.206 -16.1702 -73.4736 -54.1282 -73.4731 -294.939 GPRESSURE: 3697400 -148.297 105.491 -66.8085 178.308 28.1609 -66.1451 -113.83 -82.7216 -267.802 PRESSAVG: 3697400 -39.2456 -21.2628 29.0335 -21.2629 -66.7755 35.0835 29.0334 35.0835 57.7212 GPRESSAVG: 3697400 -39.0932 -21.5421 27.6914 -19.7945 -66.153 36.4977 30.2501 33.15 57.072 TIMING: 3697400 CPU: 10741.9, 0.00290795/step Wall: 10741.9, 0.00290795/step, 1.05219 hours remaining, 208.382812 MB of memory in use. ENERGY: 3697400 730.7806 2111.8140 1940.6074 115.9192 -205911.8857 17563.7409 0.0000 0.0000 34371.5177 -149077.5058 300.1750 -183449.0236 -148983.4949 300.4451 -158.8862 -129.3125 557223.0229 -16.1000 -16.0581 PRESSURE: 3697600 -147.165 -5.79142 -22.3322 -5.79073 107.889 -60.4505 -22.331 -60.4518 -134.531 GPRESSURE: 3697600 -42.3838 -17.9161 -65.3661 6.89561 82.4986 -61.2493 -34.4075 -49.3475 -123.923 PRESSAVG: 3697600 6.49249 -21.5651 51.8258 -21.5652 14.4661 -53.8166 51.8257 -53.8166 -22.5006 GPRESSAVG: 3697600 7.18575 -22.4402 51.6467 -24.3263 13.732 -54.1357 50.3397 -52.7504 -22.6561 TIMING: 3697600 CPU: 10742.5, 0.00291935/step Wall: 10742.5, 0.00291935/step, 1.05616 hours remaining, 208.382812 MB of memory in use. ENERGY: 3697600 768.2916 2112.8562 1938.1289 102.2021 -206069.0055 17834.4154 0.0000 0.0000 34163.1466 -149149.9646 298.3553 -183313.1113 -149047.1331 300.1213 -57.9358 -27.9360 556844.2864 -0.5140 -0.5795 PRESSURE: 3697800 -130.226 61.7192 -102.38 61.72 -104.637 56.8692 -102.379 56.868 -42.3236 GPRESSURE: 3697800 -64.011 214.654 -39.7247 10.3668 -27.382 80.4616 -237.52 40.6966 -104.261 PRESSAVG: 3697800 4.16218 30.9258 -33.9554 30.9258 -25.9957 16.6908 -33.9554 16.6908 -8.80865 GPRESSAVG: 3697800 3.12789 33.8335 -34.161 30.6353 -25.0308 15.7421 -32.5896 16.3478 -8.75384 TIMING: 3697800 CPU: 10743.1, 0.00291083/step Wall: 10743.1, 0.00291083/step, 1.05291 hours remaining, 208.382812 MB of memory in use. ENERGY: 3697800 756.1789 2060.9688 1998.9128 116.1800 -206077.4831 17713.1784 0.0000 0.0000 34151.6729 -149280.3913 298.2551 -183432.0642 -149184.9516 298.9549 -92.3954 -65.2181 557451.8858 -10.2141 -10.2189 PRESSURE: 3698000 181.637 54.3382 84.9736 54.3372 -37.1386 -27.9753 84.9729 -27.9747 386.436 GPRESSURE: 3698000 210.304 -20.5732 109.409 82.4751 -20.0848 -37.6175 124.478 -54.5473 444.78 PRESSAVG: 3698000 35.6261 -23.7531 -10.2785 -23.7531 -20.9218 18.6677 -10.2785 18.6678 -14.2611 GPRESSAVG: 3698000 35.3119 -23.7314 -8.97292 -22.2049 -21.547 19.4053 -12.6688 20.4867 -13.2352 TIMING: 3698000 CPU: 10743.7, 0.00287733/step Wall: 10743.7, 0.00287733/step, 1.04064 hours remaining, 208.382812 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: 3698000 737.3408 2063.8915 1974.8556 127.7698 -206516.1996 18118.8812 0.0000 0.0000 34071.9781 -149421.4825 297.5591 -183493.4605 -149330.8910 298.4082 176.9780 211.6665 556805.3097 0.1478 0.1766 PRESSURE: 3698200 -64.6577 -34.1422 119.504 -34.1428 -109.189 -75.207 119.505 -75.2076 -5.92928 GPRESSURE: 3698200 -27.0579 -144.406 114.916 24.3685 -143.923 -118.597 46.2483 -28.753 81.5994 PRESSAVG: 3698200 10.6711 -22.2339 40.4834 -22.2339 -41.5901 -32.0464 40.4835 -32.0463 35.6669 GPRESSAVG: 3698200 10.2824 -25.3407 41.0255 -23.1265 -41.1549 -32.7792 41.6501 -32.4343 35.6925 TIMING: 3698200 CPU: 10744.2, 0.00289145/step Wall: 10744.2, 0.00289144/step, 1.04558 hours remaining, 208.382812 MB of memory in use. ENERGY: 3698200 722.1922 2056.3508 1937.5469 119.8764 -206314.4084 17735.1455 0.0000 0.0000 34310.6621 -149432.6346 299.6435 -183743.2967 -149333.7241 298.6082 -59.9254 -29.7939 558839.8912 1.5826 1.6067 PRESSURE: 3698400 311.391 -98.1868 -140.913 -98.1872 33.0824 -169.568 -140.913 -169.568 207.446 GPRESSURE: 3698400 334.46 -113.121 -156.801 16.1015 71.9286 -213.693 -102.837 -164.555 226.897 PRESSAVG: 3698400 -22.1898 -11.0805 30.2872 -11.0805 -38.1916 -6.56583 30.2871 -6.56593 111.579 GPRESSAVG: 3698400 -22.1305 -8.57938 28.2721 -8.74284 -38.1136 -4.30458 33.0504 -8.18432 110.872 TIMING: 3698400 CPU: 10744.8, 0.00294829/step Wall: 10744.8, 0.00294829/step, 1.06597 hours remaining, 208.382812 MB of memory in use. ENERGY: 3698400 738.1163 2097.5812 1966.1375 108.7868 -206896.0572 18135.6879 0.0000 0.0000 34403.9087 -149445.8389 300.4579 -183849.7476 -149347.7875 298.9561 183.9733 211.0950 557262.6399 17.0660 16.8761 PRESSURE: 3698600 -26.3878 -100.601 105.459 -100.602 -166.589 18.2148 105.458 18.2145 -142.862 GPRESSURE: 3698600 41.6062 -110.547 138.239 -57.5591 -114.358 23.8936 51.2718 -29.419 -151.138 PRESSAVG: 3698600 -9.70356 22.6084 2.24543 22.6084 60.7941 -13.6634 2.24548 -13.6634 -86.5828 GPRESSAVG: 3698600 -8.39462 22.6047 1.78439 20.9506 60.2943 -16.1612 0.66733 -14.2876 -86.834 TIMING: 3698600 CPU: 10745.4, 0.00294944/step Wall: 10745.4, 0.00294944/step, 1.06622 hours remaining, 208.382812 MB of memory in use. ENERGY: 3698600 741.0559 2055.9779 1951.7983 109.8167 -206348.3415 17773.1338 0.0000 0.0000 34338.9379 -149377.6209 299.8905 -183716.5588 -149282.1445 298.6840 -111.9462 -74.6301 556889.3349 -11.8307 -11.6447 PRESSURE: 3698800 -52.2819 236.134 -150.035 236.134 194.268 107.593 -150.035 107.591 -225.399 GPRESSURE: 3698800 52.0916 85.3433 -121.795 247.587 144.708 103.284 -149.335 107.142 -176.383 PRESSAVG: 3698800 28.2085 44.1612 -20.1516 44.1612 64.1937 3.74006 -20.1516 3.74001 -60.0003 GPRESSAVG: 3698800 27.9104 44.5648 -21.0358 41.842 64.1325 3.54575 -20.5338 5.17035 -59.5089 TIMING: 3698800 CPU: 10746, 0.00292948/step Wall: 10746, 0.00292948/step, 1.05884 hours remaining, 208.382812 MB of memory in use. ENERGY: 3698800 741.0945 2058.5924 1950.4477 96.0741 -206201.4482 17771.3706 0.0000 0.0000 34228.1093 -149355.7594 298.9226 -183583.8688 -149253.2740 298.8733 -27.8043 6.8054 557173.3754 10.8006 10.8447 PRESSURE: 3699000 84.9003 -39.619 -123.845 -39.6189 176.694 81.6513 -123.844 81.6501 61.0799 GPRESSURE: 3699000 169.43 -29.5582 -155.559 -16.0903 196.138 121.763 -27.3214 30.3125 62.896 PRESSAVG: 3699000 44.276 -52.6693 13.3648 -52.6694 68.0147 11.6136 13.3648 11.6137 -88.398 GPRESSAVG: 3699000 44.9386 -53.3915 13.2883 -50.6684 68.2299 13.374 13.8682 10.3462 -89.6618 TIMING: 3699000 CPU: 10746.6, 0.0029375/step Wall: 10746.6, 0.0029375/step, 1.06158 hours remaining, 208.382812 MB of memory in use. ENERGY: 3699000 743.6462 2044.1775 1966.3033 101.6177 -206563.5294 18128.4809 0.0000 0.0000 34344.4331 -149234.8708 299.9385 -183579.3039 -149135.6739 299.1726 107.5581 142.8212 556334.2294 7.9642 7.8355 PRESSURE: 3699200 -327.393 277.444 -115.334 277.442 94.8083 74.0881 -115.334 74.0881 -45.273 GPRESSURE: 3699200 -287.969 257.822 -173.698 304.909 90.4337 48.3541 -155.011 101.69 -1.44041 PRESSAVG: 3699200 18.7001 44.3252 -77.0958 44.3252 45.1632 -4.76205 -77.0958 -4.76208 -54.8104 GPRESSAVG: 3699200 18.0431 45.3487 -77.9284 42.5544 44.5397 -7.79957 -77.8649 -2.11951 -53.6414 TIMING: 3699200 CPU: 10747.2, 0.0029458/step Wall: 10747.2, 0.0029458/step, 1.06442 hours remaining, 208.382812 MB of memory in use. ENERGY: 3699200 744.5095 2107.6097 1932.5364 102.2127 -205730.1580 17445.8731 0.0000 0.0000 34154.0379 -149243.3787 298.2757 -183397.4165 -149148.2857 298.8680 -92.6194 -66.3253 557095.9268 3.0176 2.9805 PRESSURE: 3699400 -254.35 6.79712 -95.9926 6.79781 -194.644 -147.415 -95.9919 -147.417 51.2485 GPRESSURE: 3699400 -214.345 10.7622 -116.397 8.82229 -155.13 -99.5531 -69.6159 -117.092 71.2104 PRESSAVG: 3699400 -88.1949 15.5615 -17.0771 15.5614 67.5725 -9.44036 -17.0771 -9.4404 -5.9177 GPRESSAVG: 3699400 -88.0247 13.6981 -16.1316 14.8634 67.9763 -7.31433 -17.8633 -8.89055 -6.27096 TIMING: 3699400 CPU: 10747.8, 0.00295772/step Wall: 10747.8, 0.00295772/step, 1.06856 hours remaining, 208.382812 MB of memory in use. ENERGY: 3699400 756.5972 2088.4860 1950.5934 127.0446 -206174.7853 17665.3420 0.0000 0.0000 34300.3882 -149286.3339 299.5538 -183586.7221 -149191.3086 299.1038 -132.5819 -99.4218 557975.4170 -8.8467 -8.7731 PRESSURE: 3699600 -130.104 -62.293 -27.9936 -62.2927 -161.393 -50.0368 -27.9929 -50.036 -488.808 GPRESSURE: 3699600 -58.0585 -80.0087 -31.6298 -77.0442 -176.69 -136.111 -2.24183 -14.5772 -444.478 PRESSAVG: 3699600 -42.8871 -4.84904 -20.8285 -4.84899 42.7551 -44.5431 -20.8285 -44.543 2.40868 GPRESSAVG: 3699600 -44.1617 -1.77363 -20.5977 -2.60644 42.6232 -43.8967 -19.373 -46.353 3.1367 TIMING: 3699600 CPU: 10748.4, 0.0029564/step Wall: 10748.4, 0.0029564/step, 1.06792 hours remaining, 208.585938 MB of memory in use. ENERGY: 3699600 800.8148 2080.6242 1951.2709 120.0142 -205984.2473 17681.8642 0.0000 0.0000 34258.9322 -149090.7268 299.1918 -183349.6590 -148998.8696 299.2250 -260.1018 -226.4090 557679.6946 0.7589 0.5327 PRESSURE: 3699800 -327.614 -143.096 -37.2035 -143.098 -248.626 -87.8484 -37.2037 -87.8498 -162.278 GPRESSURE: 3699800 -291.966 -102.565 -52.8719 -175.651 -231.42 -102.479 -43.5484 -21.7778 -117.702 PRESSAVG: 3699800 -21.6691 -38.4817 7.21076 -38.4817 43.7264 -14.4069 7.21077 -14.4069 -12.6101 GPRESSAVG: 3699800 -20.959 -39.6908 7.73059 -39.424 44.9791 -15.2982 5.56624 -13.4616 -14.2447 TIMING: 3699800 CPU: 10749, 0.00292854/step Wall: 10749, 0.00292854/step, 1.05769 hours remaining, 208.656250 MB of memory in use. ENERGY: 3699800 741.1207 2153.7190 1963.0163 116.2029 -205612.1498 17368.8129 0.0000 0.0000 34113.2269 -149156.0511 297.9193 -183269.2779 -149059.9493 299.8177 -246.1727 -213.6962 557883.1715 3.1491 3.2585 PRESSURE: 3700000 -71.2952 73.9737 -98.2353 73.9732 72.0019 -60.2181 -98.2359 -60.2187 171.424 GPRESSURE: 3700000 -100.772 47.1783 -128.862 44.1036 135.287 -164.233 -85.6905 -23.8144 242.423 PRESSAVG: 3700000 0.439042 -34.3969 -77.6084 -34.3969 -16.7391 3.34833 -77.6084 3.34843 19.0426 GPRESSAVG: 3700000 -0.11302 -34.5232 -78.282 -31.9956 -16.9835 2.94611 -76.0852 3.48641 19.9349 TIMING: 3700000 CPU: 10749.5, 0.00294213/step Wall: 10749.5, 0.00294213/step, 1.06243 hours remaining, 208.656250 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: 3700000 738.6201 2095.6601 1931.9076 114.3844 -206278.3832 18006.8682 0.0000 0.0000 34292.7768 -149098.1659 299.4873 -183390.9427 -149004.4214 298.9766 57.3770 92.3127 558207.2233 0.9142 0.9461 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.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 -38.208 181.04 33.546 181.04 67.0736 66.4354 33.5451 66.4353 -367.96 GPRESSURE: 3700200 -13.0302 189.907 87.5092 154.191 78.6928 117.276 12.233 52.373 -298.363 PRESSAVG: 3700200 -6.51966 -14.3941 -14.9502 -14.3941 -9.47419 -29.1913 -14.9501 -29.1914 -7.41275 GPRESSAVG: 3700200 -6.91611 -16.2925 -14.3208 -16.3299 -9.32694 -29.3577 -15.5086 -30.6875 -6.9349 TIMING: 3700200 CPU: 10750.1, 0.00302096/step Wall: 10750.1, 0.00302096/step, 1.09073 hours remaining, 208.781250 MB of memory in use. ENERGY: 3700200 734.9680 2100.0275 1981.3229 115.2535 -206249.3461 17665.0211 0.0000 0.0000 34585.4423 -149067.3107 302.0433 -183652.7531 -148969.8443 299.2308 -113.0314 -77.5669 559203.7839 -7.8022 -7.7260 LDB: ============= START OF LOAD BALANCING ============== 10753.6 LDB: ============== END OF LOAD BALANCING =============== 10753.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10753.6 LDB: ============= START OF LOAD BALANCING ============== 10753.9 LDB: Largest compute 4820 load 0.031339 is 26.6% of average load 0.117778 LDB: Average compute 0.001735 is 1.5% of average load 0.117778 LDB: TIME 10753.9 LOAD: AVG 0.117778 MAX 0.185908 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 10753.9 LOAD: AVG 0.117778 MAX 0.185908 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.676 MB LDB: TIME 10753.9 LOAD: AVG 0.117778 MAX 0.185908 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10753.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10753.9 PRESSURE: 3700400 121.896 -52.2822 40.7267 -52.2815 105.825 -9.33963 40.7262 -9.33977 -0.764376 GPRESSURE: 3700400 180.936 11.1792 41.2098 -97.6627 141.374 31.9392 9.73186 -5.06272 -5.52939 PRESSAVG: 3700400 40.8372 47.223 -30.6389 47.2231 14.4999 -1.11383 -30.6389 -1.11398 -36.8273 GPRESSAVG: 3700400 42.2765 49.5105 -31.6215 47.7808 13.4953 -1.69153 -30.4229 -0.82947 -37.6004 TIMING: 3700400 CPU: 10750.7, 0.00296703/step Wall: 10750.7, 0.00296704/step, 1.0711 hours remaining, 207.472656 MB of memory in use. ENERGY: 3700400 731.4177 2083.9020 1947.9934 111.4167 -205756.7941 17737.3223 0.0000 0.0000 34126.6843 -149018.0577 298.0368 -183144.7420 -148920.1343 299.3817 75.6523 105.5936 556863.8356 6.1699 6.0571 PRESSURE: 3700600 -123.155 -161.051 1.82868 -161.051 128.085 45.9295 1.82857 45.9275 -187.795 GPRESSURE: 3700600 -9.97546 -98.0782 -38.6917 -281.978 106.725 45.2493 71.4117 21.6697 -186.76 PRESSAVG: 3700600 -25.4155 -41.5412 -75.4235 -41.5413 34.7201 36.2343 -75.4235 36.2343 -14.3561 GPRESSAVG: 3700600 -25.7347 -44.1664 -75.3515 -40.8026 34.4761 37.4991 -76.0966 36.5006 -14.4712 TIMING: 3700600 CPU: 10751.3, 0.00293945/step Wall: 10751.3, 0.00293945/step, 1.06098 hours remaining, 207.472656 MB of memory in use. ENERGY: 3700600 732.1127 2102.3396 1955.2694 116.2500 -205988.9685 17662.8559 0.0000 0.0000 34422.5068 -148997.6341 300.6203 -183420.1409 -148897.6118 300.0009 -60.9550 -30.0037 556963.9951 -1.6839 -1.9099 PRESSURE: 3700800 -38.6267 -27.3805 -162.2 -27.3799 -93.7404 -0.199071 -162.199 -0.198127 -40.4144 GPRESSURE: 3700800 0.255681 -95.0557 -113.22 23.1898 -87.2351 51.6654 -164.096 4.89754 6.16443 PRESSAVG: 3700800 5.57893 -37.1322 -76.7503 -37.1321 56.84 41.5562 -76.7502 41.5563 -2.05256 GPRESSAVG: 3700800 4.78567 -36.7642 -74.854 -37.0353 58.605 41.39 -78.2864 43.1978 -2.64385 TIMING: 3700800 CPU: 10751.9, 0.00292613/step Wall: 10751.9, 0.00292613/step, 1.05601 hours remaining, 207.472656 MB of memory in use. ENERGY: 3700800 766.7047 2093.5586 1939.4706 111.1363 -205581.8935 17604.4813 0.0000 0.0000 34196.1260 -148870.4160 298.6433 -183066.5420 -148775.8310 299.7797 -57.5938 -26.9383 557201.6232 20.1221 20.2489 PRESSURE: 3701000 37.32 206.451 57.6331 206.45 -22.0396 67.6603 57.6342 67.6599 -12.5001 GPRESSURE: 3701000 64.5525 238.727 20.9297 119.215 37.0594 66.9182 -4.69996 -2.42133 1.59144 PRESSAVG: 3701000 37.7501 -17.1401 16.7618 -17.1401 -23.6238 -2.25763 16.7617 -2.25773 -35.1613 GPRESSAVG: 3701000 38.4642 -17.3517 16.2348 -17.8245 -24.5397 -3.55291 19.1229 -3.07022 -34.6371 TIMING: 3701000 CPU: 10752.5, 0.00293803/step Wall: 10752.5, 0.00293803/step, 1.06014 hours remaining, 207.472656 MB of memory in use. ENERGY: 3701000 723.6248 2037.4658 1939.0938 105.5630 -205712.9587 17730.0693 0.0000 0.0000 34366.4745 -148810.6676 300.1310 -183177.1420 -148713.0115 299.3750 0.9268 34.4011 558478.3685 -7.0117 -6.9042 PRESSURE: 3701200 -30.0053 -74.9926 -125.296 -74.9935 212.615 127.357 -125.295 127.356 252.668 GPRESSURE: 3701200 -9.63701 -177.89 -163.803 -63.0427 223.728 92.6069 -114.424 35.7723 307.312 PRESSAVG: 3701200 -36.7716 54.0575 26.0767 54.0575 53.234 29.4864 26.0767 29.4864 -12.5318 GPRESSAVG: 3701200 -36.451 55.8525 25.1778 53.8354 52.9663 29.7806 26.3252 29.4317 -12.7016 TIMING: 3701200 CPU: 10753.1, 0.00290137/step Wall: 10753.1, 0.00290137/step, 1.04675 hours remaining, 207.472656 MB of memory in use. ENERGY: 3701200 733.8567 2055.7422 1947.6996 115.0938 -205583.5774 17877.1130 0.0000 0.0000 34390.4058 -148463.6664 300.3400 -182854.0722 -148367.9761 300.3353 145.0926 173.8010 559781.1743 1.3102 1.2712 PRESSURE: 3701400 36.1788 75.3242 -64.1945 75.3233 168.822 -32.189 -64.1938 -32.1888 140.895 GPRESSURE: 3701400 42.7451 -59.7381 -13.1615 97.3728 236.89 23.1774 -16.8419 -137.752 165.658 PRESSAVG: 3701400 -31.9768 -20.601 -30.1281 -20.601 28.9401 -18.1849 -30.1281 -18.1849 -19.7654 GPRESSAVG: 3701400 -33.5403 -24.1897 -29.4876 -18.3522 29.4201 -17.8202 -30.5262 -18.5371 -18.2646 TIMING: 3701400 CPU: 10753.7, 0.00290067/step Wall: 10753.7, 0.00290067/step, 1.04634 hours remaining, 207.472656 MB of memory in use. ENERGY: 3701400 705.3383 2111.5947 1965.4527 108.7837 -205659.5564 17845.1978 0.0000 0.0000 34604.4406 -148318.7486 302.2092 -182923.1892 -148227.1773 300.7684 115.2985 148.4310 559882.6757 -7.6007 -7.4616 PRESSURE: 3701600 31.949 165.115 91.4922 165.115 -34.887 120.721 91.4916 120.722 -5.7699 GPRESSURE: 3701600 63.4578 139.44 81.134 208.368 24.2571 197.877 169.018 116.897 -12.9077 PRESSAVG: 3701600 16.3845 2.27638 -37.3552 2.27635 -29.4009 43.3287 -37.3552 43.3286 -36.3497 GPRESSAVG: 3701600 17.3573 6.135 -39.2096 0.316269 -29.3707 43.7096 -37.7656 44.2688 -37.3062 TIMING: 3701600 CPU: 10754.2, 0.0029294/step Wall: 10754.2, 0.0029294/step, 1.05654 hours remaining, 207.472656 MB of memory in use. ENERGY: 3701600 741.5067 2046.3727 1919.3250 117.4364 -205456.2035 17790.1105 0.0000 0.0000 34427.0264 -148414.4259 300.6598 -182841.4524 -148315.2188 301.5654 -2.9026 24.9357 560044.4227 -16.4554 -16.4399 PRESSURE: 3701800 183.302 -112.76 -113.937 -112.76 253.931 21.8424 -113.936 21.8437 262.089 GPRESSURE: 3701800 193.041 -93.3784 -102.311 -201.662 290.387 38.1132 -103.246 -37.0874 303.788 PRESSAVG: 3701800 30.6087 14.944 64.5456 14.9441 -45.4971 70.3092 64.5456 70.3092 8.70103 GPRESSAVG: 3701800 30.4257 14.0934 64.578 13.4983 -45.566 69.4396 65.1575 68.1869 8.57068 TIMING: 3701800 CPU: 10754.8, 0.00293703/step Wall: 10754.8, 0.00293703/step, 1.05913 hours remaining, 207.472656 MB of memory in use. ENERGY: 3701800 705.8314 2098.6229 1967.7871 123.3044 -205751.9760 17871.1466 0.0000 0.0000 34551.1992 -148434.0844 301.7442 -182985.2836 -148330.7277 301.1059 233.1072 262.4053 559672.4943 -2.0624 -2.1899 PRESSURE: 3702000 228.718 75.3321 -75.2367 75.3333 -7.93878 37.1049 -75.2384 37.105 10.2012 GPRESSURE: 3702000 235.651 38.8608 -48.5061 49.4648 72.3866 164.401 -62.5649 -120.52 22.5067 PRESSAVG: 3702000 -31.664 -31.6374 -3.36969 -31.6374 -48.2076 -4.4294 -3.36971 -4.42943 33.6475 GPRESSAVG: 3702000 -32.5805 -32.6022 -3.97131 -30.1346 -48.0411 -2.1567 -4.90016 -3.01862 33.98 TIMING: 3702000 CPU: 10755.4, 0.00293249/step Wall: 10755.4, 0.00293249/step, 1.05733 hours remaining, 207.472656 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: 3702000 717.7678 2118.1126 1946.3417 126.7172 -205674.2548 17868.0931 0.0000 0.0000 34461.0037 -148436.2187 300.9565 -182897.2224 -148343.3180 300.8773 76.9935 110.1814 561302.7138 -15.4080 -15.5472 PRESSURE: 3702200 20.537 7.65404 40.4887 7.65393 199.148 74.1345 40.4888 74.136 -259.436 GPRESSURE: 3702200 59.9277 -35.4453 30.7769 77.6076 198.088 125.829 27.7181 6.27264 -193.066 PRESSAVG: 3702200 61.0621 -33.1067 12.1929 -33.1068 5.72819 5.79459 12.1931 5.79464 -75.4948 GPRESSAVG: 3702200 62.109 -32.3579 12.2337 -32.0165 5.95403 3.72405 14.0261 6.63118 -76.376 TIMING: 3702200 CPU: 10756, 0.00292545/step Wall: 10756, 0.00292545/step, 1.05463 hours remaining, 207.472656 MB of memory in use. ENERGY: 3702200 728.5949 2095.2369 1951.4256 105.2066 -205500.4534 17814.5921 0.0000 0.0000 34510.5561 -148294.8413 301.3893 -182805.3974 -148203.8705 301.3498 -13.2504 21.6501 560565.8110 -2.9015 -2.7710 PRESSURE: 3702400 8.48403 87.7122 -46.9351 87.7117 -89.7396 57.1254 -46.9351 57.1245 147.438 GPRESSURE: 3702400 52.9953 129.476 -32.3044 47.7979 -8.81419 33.525 -50.7262 -68.4443 104.465 PRESSAVG: 3702400 43.7956 -12.7696 21.1682 -12.7697 -7.3087 19.8938 21.1683 19.8938 -11.6981 GPRESSAVG: 3702400 43.7225 -13.5962 23.2564 -12.1148 -8.67566 21.7789 18.9549 18.951 -10.8609 TIMING: 3702400 CPU: 10756.6, 0.0029271/step Wall: 10756.6, 0.0029271/step, 1.05506 hours remaining, 207.472656 MB of memory in use. ENERGY: 3702400 760.6335 2061.7783 1921.8583 116.3680 -205847.9497 17843.2799 0.0000 0.0000 34591.8469 -148552.1847 302.0992 -183144.0316 -148449.2252 301.6004 22.0608 49.5486 559780.2429 8.2629 8.0620 PRESSURE: 3702600 -182.086 -187.153 92.5386 -187.152 132.047 115.947 92.5381 115.945 -190.047 GPRESSURE: 3702600 -163.348 -185.398 121.134 -116.095 209.004 0.952567 48.7899 136.667 -187.65 PRESSAVG: 3702600 13.3098 -37.2373 -30.4499 -37.2372 29.7217 13.3357 -30.4499 13.3358 -29.502 GPRESSAVG: 3702600 14.1638 -35.566 -32.4722 -38.7038 29.7327 11.7073 -29.2934 12.2615 -30.7078 TIMING: 3702600 CPU: 10757.2, 0.00289157/step Wall: 10757.2, 0.00289157/step, 1.04209 hours remaining, 207.531250 MB of memory in use. ENERGY: 3702600 741.0024 2122.6970 1920.8015 105.0298 -205733.0026 17651.2609 0.0000 0.0000 34497.7319 -148694.4791 301.2773 -183192.2110 -148597.6941 301.5336 -80.0284 -47.3315 558849.8249 4.5099 4.3962 PRESSURE: 3702800 164.578 47.2929 -115.63 47.2913 -244.127 -9.5845 -115.629 -9.58372 -325.552 GPRESSURE: 3702800 199.121 -0.508112 -97.7353 90.5948 -238.396 -0.90747 -23.5696 -41.829 -277.361 PRESSAVG: 3702800 -17.6223 -16.8233 -15.371 -16.8234 68.3235 -20.7624 -15.371 -20.7624 10.6704 GPRESSAVG: 3702800 -18.5751 -16.5133 -15.54 -17.2571 69.1797 -21.0954 -14.9864 -19.1486 11.2197 TIMING: 3702800 CPU: 10757.8, 0.00292641/step Wall: 10757.8, 0.00292641/step, 1.05448 hours remaining, 207.531250 MB of memory in use. ENERGY: 3702800 705.5950 2053.4985 1910.8179 113.5596 -205143.7280 17260.0382 0.0000 0.0000 34434.3499 -148665.8690 300.7237 -183100.2189 -148573.9987 300.5413 -135.0336 -105.5454 557721.8425 20.4572 20.6081 PRESSURE: 3703000 296.107 133.037 -102.115 133.037 86.105 -14.3087 -102.115 -14.3072 -0.686674 GPRESSURE: 3703000 335.881 207.476 -165.686 73.6914 126.575 -25.1866 -110.928 2.88907 19.4874 PRESSAVG: 3703000 43.7655 -23.3507 -2.57579 -23.3507 -46.8364 -26.0539 -2.57571 -26.054 -7.37738 GPRESSAVG: 3703000 42.6654 -24.4761 -3.57864 -22.7586 -46.6441 -26.69 -2.52735 -26.5143 -6.83927 TIMING: 3703000 CPU: 10758.3, 0.00293397/step Wall: 10758.3, 0.00293397/step, 1.05705 hours remaining, 207.531250 MB of memory in use. ENERGY: 3703000 692.7019 2095.2055 1970.1898 112.7835 -205694.2582 17771.0126 0.0000 0.0000 34519.6840 -148532.6809 301.4690 -183052.3649 -148433.2935 300.9654 127.1751 160.6478 556897.2798 -3.4828 -3.6060 PRESSURE: 3703200 72.192 -81.5576 -112.827 -81.5569 94.9403 -12.4537 -112.825 -12.4552 71.4369 GPRESSURE: 3703200 167.427 -116.175 -112.567 -74.9249 119.654 22.524 -178.732 55.4543 32.342 PRESSAVG: 3703200 -48.2376 -46.0563 -38.8707 -46.0564 -6.98436 -51.3091 -38.8706 -51.3091 39.7483 GPRESSAVG: 3703200 -46.0095 -45.9859 -37.9177 -45.8882 -8.7462 -49.2987 -38.0533 -53.7504 38.7581 TIMING: 3703200 CPU: 10758.9, 0.00292094/step Wall: 10758.9, 0.00292094/step, 1.05219 hours remaining, 207.531250 MB of memory in use. ENERGY: 3703200 722.5046 2072.1750 1979.9501 109.6128 -205656.3382 17859.8753 0.0000 0.0000 34118.7236 -148793.4968 297.9673 -182912.2204 -148695.6213 300.7146 79.5231 106.4745 559181.8880 -5.1579 -5.3325 PRESSURE: 3703400 -328.694 64.5604 -149.069 64.56 -249.368 -95.1668 -149.068 -95.1659 -233.143 GPRESSURE: 3703400 -307.592 93.7207 -179.927 68.3144 -189.929 -137.442 -125.219 -77.6728 -216.488 PRESSAVG: 3703400 25.0171 -12.1702 -13.4384 -12.1701 32.5488 -65.4655 -13.4384 -65.4653 -70.1992 GPRESSAVG: 3703400 24.1848 -13.8743 -12.7588 -11.6429 32.1771 -67.974 -14.3693 -63.417 -68.8982 TIMING: 3703400 CPU: 10759.5, 0.0029276/step Wall: 10759.5, 0.0029276/step, 1.05442 hours remaining, 207.531250 MB of memory in use. ENERGY: 3703400 749.8001 2080.5399 1946.3748 108.1293 -205333.1285 17328.3662 0.0000 0.0000 34389.7127 -148730.2055 300.3339 -183119.9182 -148630.2857 300.8101 -270.4020 -238.0028 559615.9965 -4.2111 -4.1788 PRESSURE: 3703600 -245.247 104.49 -122.152 104.491 326.422 181.634 -122.15 181.634 -141.369 GPRESSURE: 3703600 -162.856 140.127 -73.1337 158.737 343.757 129.417 -173.582 174.909 -139.028 PRESSAVG: 3703600 -50.4744 40.9382 -48.5367 40.9382 30.4467 -27.1272 -48.5367 -27.1273 -8.07547 GPRESSAVG: 3703600 -50.9314 41.119 -49.3549 41.2866 30.6325 -26.7168 -47.4424 -25.6179 -7.79268 TIMING: 3703600 CPU: 10760.1, 0.00292401/step Wall: 10760.1, 0.00292401/step, 1.05297 hours remaining, 207.765625 MB of memory in use. ENERGY: 3703600 750.8812 2128.4921 1961.7265 116.8669 -206251.0796 17885.4151 0.0000 0.0000 34432.8204 -148974.8773 300.7104 -183407.6978 -148883.0792 299.9962 -20.0646 13.9576 557192.8200 -9.3677 -9.3639 PRESSURE: 3703800 45.4317 75.4713 -124.394 75.4717 93.6238 63.0259 -124.393 63.0269 42.5861 GPRESSURE: 3703800 82.8039 30.3265 -76.5641 52.0696 209.791 30.2171 -169.674 197.046 -11.2724 PRESSAVG: 3703800 -41.521 59.1577 -31.001 59.1577 71.97 -19.1539 -31.0009 -19.154 -5.47984 GPRESSAVG: 3703800 -43.3951 58.6285 -29.8014 58.8738 71.8065 -19.0588 -31.8195 -19.1403 -3.56914 TIMING: 3703800 CPU: 10760.7, 0.00293015/step Wall: 10760.7, 0.00293015/step, 1.05502 hours remaining, 207.765625 MB of memory in use. ENERGY: 3703800 763.0637 2026.2183 1936.9387 121.8379 -205920.8731 17734.3839 0.0000 0.0000 34485.3453 -148853.0853 301.1691 -183338.4306 -148762.4926 300.2804 60.5472 93.7743 556673.5190 8.3230 8.2808 PRESSURE: 3704000 -156.957 -70.2986 37.363 -70.2989 144.593 -27.4456 37.3629 -27.446 144.371 GPRESSURE: 3704000 -92.3676 -60.093 54.1797 -39.4426 167.115 10.897 70.5204 -114.185 136.454 PRESSAVG: 3704000 -82.2837 -23.4692 -8.08919 -23.469 31.985 5.64773 -8.08909 5.64769 56.4705 GPRESSAVG: 3704000 -79.8407 -22.9591 -5.96486 -24.4402 31.1071 5.29665 -11.5565 3.27023 55.3252 TIMING: 3704000 CPU: 10761.3, 0.00295106/step Wall: 10761.3, 0.00295106/step, 1.06238 hours remaining, 207.765625 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: 3704000 741.7345 2137.8346 1966.8258 121.5710 -205876.1396 17763.1818 0.0000 0.0000 34346.5777 -148798.4144 299.9572 -183144.9921 -148703.2044 300.7831 44.0025 70.4003 558596.5759 2.0573 2.1972 PRESSURE: 3704200 112.605 -74.3881 210.853 -74.3888 200.808 14.7032 210.852 14.7032 -69.2653 GPRESSURE: 3704200 62.0114 -14.7111 191.571 -102.78 247.323 73.717 139.706 -26.4532 41.0445 PRESSAVG: 3704200 -103.084 -18.9958 99.0204 -18.9959 55.6128 -25.9497 99.0205 -25.9497 58.6667 GPRESSAVG: 3704200 -104.431 -17.7616 98.531 -17.8287 56.7683 -26.015 101.493 -24.5349 58.6935 TIMING: 3704200 CPU: 10761.9, 0.00291113/step Wall: 10761.9, 0.00291113/step, 1.04785 hours remaining, 207.765625 MB of memory in use. ENERGY: 3704200 756.4767 2119.6699 1964.9369 123.0814 -206540.2257 18075.5619 0.0000 0.0000 34659.1463 -148841.3526 302.6869 -183500.4989 -148739.6733 300.9941 81.3828 116.7929 559221.1757 3.7319 3.6768 LDB: ============= START OF LOAD BALANCING ============== 10765.3 LDB: ============== END OF LOAD BALANCING =============== 10765.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10765.3 LDB: ============= START OF LOAD BALANCING ============== 10765.6 LDB: Largest compute 4820 load 0.031378 is 26.6% of average load 0.117828 LDB: Average compute 0.001731 is 1.5% of average load 0.117828 LDB: TIME 10765.6 LOAD: AVG 0.117828 MAX 0.189003 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.27 MB LDB: TIME 10765.6 LOAD: AVG 0.117828 MAX 0.189003 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: TIME 10765.6 LOAD: AVG 0.117828 MAX 0.189003 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: ============== END OF LOAD BALANCING =============== 10765.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10765.6 PRESSURE: 3704400 -101.475 -59.6441 17.8288 -59.6446 -15.7943 -65.1845 17.8283 -65.1862 286.211 GPRESSURE: 3704400 -75.7295 -50.8614 34.0887 12.5388 39.0885 -40.0305 -10.1405 -111.096 300.026 PRESSAVG: 3704400 -37.8245 21.3149 17.0733 21.3148 -10.7354 -9.46372 17.0734 -9.46369 5.78998 GPRESSAVG: 3704400 -37.2544 19.8181 15.5529 20.7996 -11.8047 -8.71301 17.5117 -10.4291 6.05113 TIMING: 3704400 CPU: 10762.5, 0.00299015/step Wall: 10762.5, 0.00299015/step, 1.07612 hours remaining, 209.281250 MB of memory in use. ENERGY: 3704400 695.2408 2135.6434 1965.1889 100.7956 -206265.8402 17926.6493 0.0000 0.0000 34458.0433 -148984.2789 300.9307 -183442.3222 -148892.0375 300.5306 56.3140 87.7949 558338.3144 -14.2567 -14.3360 PRESSURE: 3704600 57.1969 -67.0223 -51.1612 -67.021 -127.015 97.8587 -51.1603 97.8586 229.874 GPRESSURE: 3704600 60.0086 -112.487 -103.646 -96.575 -52.9939 139.207 -38.9306 82.8661 251.624 PRESSAVG: 3704600 -23.3141 -10.6583 23.8036 -10.6584 5.90498 3.85897 23.8035 3.85901 69.77 GPRESSAVG: 3704600 -24.1983 -11.56 23.9914 -10.0853 7.77302 4.32307 23.569 1.59244 68.5566 TIMING: 3704600 CPU: 10763, 0.00291724/step Wall: 10763, 0.00291724/step, 1.04972 hours remaining, 209.484375 MB of memory in use. ENERGY: 3704600 724.7983 2090.5868 1960.1657 108.5471 -206173.8228 17942.7003 0.0000 0.0000 34527.2803 -148819.7443 301.5353 -183347.0247 -148724.7193 299.8662 53.3521 86.2130 557885.4296 17.4536 17.3771 PRESSURE: 3704800 -12.0127 -71.5776 36.3093 -71.5781 -180.929 123.781 36.3086 123.781 -75.1464 GPRESSURE: 3704800 65.3193 -152.743 -12.8306 67.771 -161.558 221.574 8.78887 125.539 -68.9755 PRESSAVG: 3704800 31.5665 18.2505 71.201 18.2506 -33.7483 -12.9667 71.2009 -12.9666 -0.847026 GPRESSAVG: 3704800 32.3556 23.1284 72.4013 16.4466 -35.4253 -15.3595 70.2357 -10.1369 -0.288377 TIMING: 3704800 CPU: 10763.6, 0.00293278/step Wall: 10763.6, 0.00293278/step, 1.05515 hours remaining, 209.484375 MB of memory in use. ENERGY: 3704800 756.4848 2055.8252 1958.2147 103.1895 -206002.7627 17796.7043 0.0000 0.0000 34234.8951 -149097.4489 298.9819 -183332.3440 -149013.0717 300.3104 -89.3628 -55.0714 557705.8942 -1.0096 -1.1194 PRESSURE: 3705000 -171.005 115.758 84.9929 115.76 167.36 121.249 84.9937 121.249 65.9893 GPRESSURE: 3705000 -146.047 115.719 34.9862 116.903 196.615 -34.9725 112.601 138.239 104.569 PRESSAVG: 3705000 -22.7563 -27.727 -18.2068 -27.7271 -29.0011 27.7723 -18.2067 27.7723 50.2718 GPRESSAVG: 3705000 -23.01 -30.7661 -18.8664 -25.0366 -28.2288 28.1962 -17.9349 25.8659 50.2974 TIMING: 3705000 CPU: 10764.2, 0.00290904/step Wall: 10764.2, 0.00290904/step, 1.04645 hours remaining, 209.484375 MB of memory in use. ENERGY: 3705000 749.7729 2130.0821 1974.3578 112.6224 -206513.7164 18018.7154 0.0000 0.0000 34356.3027 -149171.8631 300.0421 -183528.1658 -149078.6427 299.7343 20.7814 51.7124 556389.9532 -0.4952 -0.3138 PRESSURE: 3705200 -185.591 -18.3546 68.2371 -18.3565 -34.1437 -58.781 68.2379 -58.7816 180.408 GPRESSURE: 3705200 -128.807 39.495 40.7519 -39.2925 -8.4172 -103.82 98.4021 -2.85688 189.134 PRESSAVG: 3705200 -33.8111 -58.5074 46.1893 -58.5074 17.2405 -2.33033 46.1893 -2.33014 -12.713 GPRESSAVG: 3705200 -32.2755 -56.0805 46.9759 -59.5622 16.523 -1.86536 46.3938 -0.295296 -13.8067 TIMING: 3705200 CPU: 10764.8, 0.00290197/step Wall: 10764.8, 0.00290197/step, 1.04374 hours remaining, 209.484375 MB of memory in use. ENERGY: 3705200 743.1790 2108.7579 1961.1191 111.6150 -205807.8785 17617.9386 0.0000 0.0000 34397.8354 -148867.4336 300.4049 -183265.2690 -148768.0567 300.1438 -13.1087 17.3032 557929.6922 -9.7612 -9.8531 PRESSURE: 3705400 -131.75 4.51948 67.1427 4.51903 -333.409 242.979 67.1436 242.979 4.75229 GPRESSURE: 3705400 -97.5908 -0.879413 -32.5759 -27.2547 -270.727 164.132 138.099 233.63 8.82737 PRESSAVG: 3705400 -32.6677 -9.75982 -16.7043 -9.75981 -38.7589 28.1648 -16.7043 28.1648 65.1745 GPRESSAVG: 3705400 -33.7209 -10.6098 -16.9364 -10.2163 -38.4994 27.7746 -17.7931 30.2498 66.0229 TIMING: 3705400 CPU: 10765.4, 0.00290426/step Wall: 10765.4, 0.00290426/step, 1.0444 hours remaining, 209.484375 MB of memory in use. ENERGY: 3705400 759.0299 2150.2211 1979.0250 117.6003 -205576.6321 17458.1640 0.0000 0.0000 34412.5904 -148700.0015 300.5337 -183112.5919 -148595.9128 299.5316 -153.4688 -119.8300 558913.1096 -2.0840 -2.0658 PRESSURE: 3705600 180.385 32.1589 21.4068 32.1599 10.392 -6.9759 21.408 -6.97554 15.9813 GPRESSURE: 3705600 159.376 61.0542 -15.2764 22.4433 83.7571 -7.91846 -51.4097 21.5554 54.2093 PRESSAVG: 3705600 26.8674 42.9694 19.2753 42.9695 -4.83904 -41.7866 19.2753 -41.7865 -28.3964 GPRESSAVG: 3705600 27.4788 42.3366 17.4529 42.1227 -5.84471 -39.2319 21.4783 -44.481 -27.92 TIMING: 3705600 CPU: 10766, 0.00293108/step Wall: 10766, 0.00293108/step, 1.05389 hours remaining, 209.554688 MB of memory in use. ENERGY: 3705600 748.4734 2115.8135 1977.5365 130.6857 -205896.0327 17776.7591 0.0000 0.0000 34315.0774 -148831.6871 299.6821 -183146.7645 -148738.7081 300.3946 68.9193 99.1140 556230.3971 -2.1227 -2.0953 PRESSURE: 3705800 0.0144521 -11.7477 150.805 -11.7497 -272.23 -28.0772 150.805 -28.0768 -18.9285 GPRESSURE: 3705800 -1.92743 -6.8296 211.495 51.6697 -265.333 -75.2518 129.343 50.1129 73.769 PRESSAVG: 3705800 37.6638 -37.4682 57.6866 -37.4681 -39.5443 19.8697 57.6866 19.8697 -25.0927 GPRESSAVG: 3705800 36.752 -37.0897 59.8268 -38.6863 -39.4688 19.9076 55.9441 18.3498 -24.3385 TIMING: 3705800 CPU: 10766.5, 0.00290272/step Wall: 10766.5, 0.00290272/step, 1.04353 hours remaining, 209.554688 MB of memory in use. ENERGY: 3705800 736.5045 2085.0981 1968.3731 118.7698 -205547.6268 17427.0561 0.0000 0.0000 34334.2111 -148877.6140 299.8492 -183211.8251 -148772.2002 300.0928 -97.0480 -64.4970 558128.5728 -8.9911 -9.0184 PRESSURE: 3706000 255.097 43.1056 12.4114 43.1052 181.747 -18.9422 12.4116 -18.9422 -133.917 GPRESSURE: 3706000 304.961 -18.9002 39.4411 48.2255 191.95 -90.6792 24.6406 45.4907 -89.1695 PRESSAVG: 3706000 11.6506 -27.2363 -12.3269 -27.2362 -11.002 8.24194 -12.3268 8.24204 -30.6602 GPRESSAVG: 3706000 11.8351 -27.6897 -12.5726 -24.9734 -9.6603 6.6052 -11.2834 10.7286 -31.4488 TIMING: 3706000 CPU: 10767.1, 0.00290079/step Wall: 10767.1, 0.00290079/step, 1.04267 hours remaining, 209.554688 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: 3706000 754.1119 2049.5435 1989.5054 107.0465 -206050.7999 17967.4759 0.0000 0.0000 34257.2694 -148925.8474 299.1773 -183183.1168 -148827.9040 299.9795 100.9755 135.9140 557064.7813 -10.0039 -9.7580 PRESSURE: 3706200 205.459 -98.609 -100.3 -98.6088 2.33425 92.5979 -100.3 92.5968 -158.337 GPRESSURE: 3706200 284.905 -13.4152 -66.9928 -82.1988 3.04598 110.201 -110.387 158.822 -131.533 PRESSAVG: 3706200 79.7094 -29.2665 -29.9027 -29.2665 -63.7634 46.854 -29.9027 46.8539 -3.47545 GPRESSAVG: 3706200 79.3375 -30.2426 -29.4449 -26.9706 -64.0507 45.4022 -29.6199 46.8303 -3.39343 TIMING: 3706200 CPU: 10767.7, 0.0028955/step Wall: 10767.7, 0.0028955/step, 1.04061 hours remaining, 209.554688 MB of memory in use. ENERGY: 3706200 763.2067 2111.7148 1969.6035 113.3836 -206296.8439 18028.6582 0.0000 0.0000 34332.3114 -148977.9657 299.8326 -183310.2772 -148883.7279 299.8183 16.4855 52.1396 556969.7651 4.1569 3.9645 PRESSURE: 3706400 -66.238 -70.4285 -10.1552 -70.4278 179.799 -58.621 -10.1549 -58.6203 -39.7178 GPRESSURE: 3706400 27.2818 -25.0876 -87.6358 -21.2516 145.636 5.81532 39.6027 -15.7429 -11.9074 PRESSAVG: 3706400 18.7326 -3.65531 -10.1194 -3.65523 -4.96895 -51.8601 -10.1193 -51.86 -1.48515 GPRESSAVG: 3706400 18.3864 -2.49334 -12.6709 -6.00468 -4.94048 -51.1315 -10.8718 -51.3851 -1.27174 TIMING: 3706400 CPU: 10768.3, 0.00292687/step Wall: 10768.3, 0.00292687/step, 1.05172 hours remaining, 209.554688 MB of memory in use. ENERGY: 3706400 760.6153 2111.0705 1955.5282 120.8896 -205847.2465 17790.3278 0.0000 0.0000 34136.4333 -148972.3818 298.1220 -183108.8151 -148880.5162 300.4414 24.6144 53.6703 557996.6654 4.0928 4.0581 PRESSURE: 3706600 -346.69 -149.76 -51.6461 -149.76 204.174 -45.8709 -51.6456 -45.8716 -72.9715 GPRESSURE: 3706600 -366.253 -254.226 -85.3348 -128.153 278.682 -66.435 -73.2291 -39.3968 -42.8961 PRESSAVG: 3706600 -12.7796 -9.67779 -80.4551 -9.67778 24.9615 -60.7491 -80.455 -60.7491 -11.7049 GPRESSAVG: 3706600 -12.4777 -9.30439 -79.0494 -10.7199 24.8503 -57.0145 -77.5412 -62.9299 -11.9577 TIMING: 3706600 CPU: 10768.9, 0.00292118/step Wall: 10768.9, 0.00292118/step, 1.04951 hours remaining, 209.625000 MB of memory in use. ENERGY: 3706600 755.3151 2154.3867 1957.5545 106.8868 -205897.1350 17640.4053 0.0000 0.0000 34347.1589 -148935.4277 299.9623 -183282.5866 -148841.6330 299.4275 -71.8291 -43.4891 558325.8739 0.1590 0.1383 PRESSURE: 3706800 -14.7948 -47.1349 -128.317 -47.135 -62.0518 84.9448 -128.317 84.9433 215.801 GPRESSURE: 3706800 73.827 -22.9319 -133.032 -42.0687 -67.5551 69.1242 -40.0288 67.5541 216.627 PRESSAVG: 3706800 -25.5885 -12.2963 -26.3663 -12.2963 17.2719 -35.1315 -26.3662 -35.1315 26.9916 GPRESSAVG: 3706800 -24.7343 -12.7164 -26.5108 -11.129 16.6074 -37.6491 -27.5623 -34.4831 26.9405 TIMING: 3706800 CPU: 10769.4, 0.00290506/step Wall: 10769.4, 0.00290506/step, 1.04356 hours remaining, 209.625000 MB of memory in use. ENERGY: 3706800 711.6820 2136.5307 1990.7183 107.9652 -206258.7842 17929.9347 0.0000 0.0000 34338.3743 -149043.5790 299.8856 -183381.9533 -148948.9693 300.3048 46.3183 74.2997 557461.0838 6.2250 6.2712 PRESSURE: 3707000 -115.485 -23.6301 -190.363 -23.629 -75.8517 162.684 -190.362 162.684 -70.1768 GPRESSURE: 3707000 -69.0232 -5.01641 -87.2621 -33.3792 -53.6696 153.621 -258.177 166.694 -44.6456 PRESSAVG: 3707000 0.72174 -20.3697 12.8887 -20.3698 -51.2073 -8.86187 12.8887 -8.86186 55.4185 GPRESSAVG: 3707000 1.61053 -21.0019 12.9567 -20.5709 -51.3943 -6.82355 12.3855 -9.20425 54.8142 TIMING: 3707000 CPU: 10770, 0.00293948/step Wall: 10770, 0.00293948/step, 1.05576 hours remaining, 209.625000 MB of memory in use. ENERGY: 3707000 757.2336 2136.2911 1953.3109 108.8564 -206027.6676 17624.7631 0.0000 0.0000 34437.1244 -149010.0881 300.7480 -183447.2125 -148910.8621 300.0467 -87.1712 -55.7795 557451.3106 1.6443 1.6768 PRESSURE: 3707200 -300.236 -29.0852 203.595 -29.0854 -335.98 -94.3084 203.596 -94.3096 -141.02 GPRESSURE: 3707200 -282.155 -69.2763 205.232 -44.2693 -297.493 -127.556 222.457 -45.0458 -110.479 PRESSAVG: 3707200 -20.6774 -29.5504 -10.845 -29.5504 -19.3276 -53.9004 -10.8451 -53.9004 46.92 GPRESSAVG: 3707200 -21.035 -28.5019 -11.9075 -30.2485 -19.3349 -54.207 -11.4386 -52.5888 47.5356 TIMING: 3707200 CPU: 10770.6, 0.00292823/step Wall: 10770.6, 0.00292823/step, 1.05156 hours remaining, 209.625000 MB of memory in use. ENERGY: 3707200 739.3561 2066.6749 1981.8058 119.8039 -205623.1627 17311.8723 0.0000 0.0000 34385.4061 -149018.2437 300.2963 -183403.6498 -148914.6813 300.6890 -259.0786 -230.0425 557546.4007 2.3050 2.3886 PRESSURE: 3707400 78.454 -116.28 44.575 -116.279 -106.261 -0.366063 44.5759 -0.367491 1.18372 GPRESSURE: 3707400 134.946 -108.349 18.5375 -55.5504 -8.36304 -42.677 5.40571 66.0553 -63.2941 PRESSAVG: 3707400 10.0949 -69.2668 0.657885 -69.2668 -38.5865 -13.6122 0.657807 -13.6121 25.4451 GPRESSAVG: 3707400 10.5443 -71.5869 0.851462 -66.8814 -39.4227 -15.1925 -2.35669 -13.486 25.2136 TIMING: 3707400 CPU: 10771.2, 0.00291688/step Wall: 10771.2, 0.00291688/step, 1.04732 hours remaining, 209.625000 MB of memory in use. ENERGY: 3707400 739.4573 2128.0315 1942.8312 116.5762 -205875.4146 17778.9221 0.0000 0.0000 34335.4261 -148834.1703 299.8598 -183169.5964 -148742.0446 299.8366 -8.8744 21.0963 557115.7397 -1.0155 -1.2216 PRESSURE: 3707600 273.291 169.657 27.6096 169.658 92.5873 -64.257 27.612 -64.2572 -227.168 GPRESSURE: 3707600 277.368 212.624 36.9872 150.421 130.776 32.6924 44.7797 -113.316 -149.077 PRESSAVG: 3707600 3.58875 -11.9335 44.2901 -11.9336 -7.83976 -37.3792 44.2901 -37.3793 25.4059 GPRESSAVG: 3707600 4.10279 -11.3786 46.7375 -12.9473 -8.29701 -37.9959 45.5605 -36.1625 25.6009 TIMING: 3707600 CPU: 10771.8, 0.00291122/step Wall: 10771.8, 0.00291122/step, 1.04513 hours remaining, 209.625000 MB of memory in use. ENERGY: 3707600 769.4373 2093.4977 1962.9444 126.6362 -206115.5144 17904.7961 0.0000 0.0000 34392.5624 -148865.6402 300.3588 -183258.2026 -148766.3646 299.9700 46.2366 86.3558 557976.4853 7.0516 7.1356 PRESSURE: 3707800 -4.33793 9.8767 67.1675 9.8761 -451.113 97.0772 67.1679 97.0758 -228.864 GPRESSURE: 3707800 -3.7449 21.6424 138.962 -15.5578 -438.724 81.7837 39.0424 60.3555 -142.499 PRESSAVG: 3707800 21.5798 -31.1039 29.5914 -31.1038 -5.20597 -1.35463 29.5914 -1.35468 23.3245 GPRESSAVG: 3707800 20.2613 -32.2174 27.0919 -31.2598 -4.4571 0.889567 30.6971 -3.13258 23.2193 TIMING: 3707800 CPU: 10772.4, 0.00291683/step Wall: 10772.4, 0.00291683/step, 1.04698 hours remaining, 209.625000 MB of memory in use. ENERGY: 3707800 720.0052 2143.3830 1964.0221 112.7281 -205300.1063 17301.1993 0.0000 0.0000 34214.8194 -148843.9491 298.8065 -183058.7686 -148741.8754 300.1549 -228.1052 -194.9893 558717.5602 13.2328 13.0078 PRESSURE: 3708000 104.95 198.621 -16.4204 198.62 38.2749 -54.9363 -16.421 -54.9375 135.782 GPRESSURE: 3708000 114.443 228.706 24.8567 226.185 52.3424 -40.9509 -45.0676 31.5933 199.623 PRESSAVG: 3708000 23.9642 -40.5634 33.1541 -40.5635 -39.5134 1.55668 33.1541 1.55664 13.507 GPRESSAVG: 3708000 23.6504 -37.2736 32.5816 -42.0074 -39.0435 -1.73605 34.6289 1.32521 13.4371 TIMING: 3708000 CPU: 10772.9, 0.00292216/step Wall: 10772.9, 0.00292216/step, 1.04873 hours remaining, 209.625000 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: 3708000 713.1418 2172.1712 1982.3882 111.5251 -206251.7269 17899.1560 0.0000 0.0000 34354.2256 -149019.1191 300.0240 -183373.3447 -148928.4980 299.1645 93.0024 122.1361 556573.8900 -0.6807 -0.6520 PRESSURE: 3708200 -87.1715 -112.326 73.9574 -112.326 3.03442 2.16509 73.958 2.16554 -77.8135 GPRESSURE: 3708200 -70.0682 -164.515 81.2388 -18.3784 54.388 53.314 103.242 65.6623 -30.7365 PRESSAVG: 3708200 -18.275 9.74099 31.5483 9.74089 27.1018 27.7481 31.5483 27.748 1.65506 GPRESSAVG: 3708200 -18.3922 7.20345 33.4091 9.92502 26.9511 30.101 31.143 25.6946 2.0271 TIMING: 3708200 CPU: 10773.5, 0.00293005/step Wall: 10773.5, 0.00293005/step, 1.0514 hours remaining, 209.625000 MB of memory in use. ENERGY: 3708200 680.2519 2156.1482 1933.4044 121.1570 -205810.6303 17645.7396 0.0000 0.0000 34306.6817 -148967.2475 299.6088 -183273.9291 -148872.2607 299.4680 -53.9835 -15.4722 557942.2160 3.4939 3.5287 LDB: ============= START OF LOAD BALANCING ============== 10777 LDB: ============== END OF LOAD BALANCING =============== 10777 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10777 LDB: ============= START OF LOAD BALANCING ============== 10777.3 LDB: Largest compute 4820 load 0.031633 is 26.8% of average load 0.117851 LDB: Average compute 0.001732 is 1.5% of average load 0.117851 LDB: TIME 10777.3 LOAD: AVG 0.117851 MAX 0.187955 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 10777.3 LOAD: AVG 0.117851 MAX 0.187955 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 10777.3 LOAD: AVG 0.117851 MAX 0.187955 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: ============== END OF LOAD BALANCING =============== 10777.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10777.3 PRESSURE: 3708400 -207.748 47.773 161.318 47.7731 -36.7901 37.463 161.318 37.4651 -298.784 GPRESSURE: 3708400 -199.502 86.2478 135.432 64.9201 -21.8085 71.5444 165.684 67.8366 -218.301 PRESSAVG: 3708400 -26.0844 -56.4242 -10.5838 -56.424 -5.37474 37.6093 -10.5839 37.6093 0.643284 GPRESSAVG: 3708400 -25.8505 -54.2524 -10.576 -55.1885 -5.33418 38.3831 -13.2096 38.1312 0.462288 TIMING: 3708400 CPU: 10774.1, 0.00298175/step Wall: 10774.1, 0.00298175/step, 1.06979 hours remaining, 208.125000 MB of memory in use. ENERGY: 3708400 706.0970 2121.6771 1954.8870 105.7757 -205263.2945 17250.4295 0.0000 0.0000 34291.1167 -148833.3114 299.4729 -183124.4282 -148740.3892 300.1375 -181.1075 -146.5369 557596.2930 -10.2719 -10.2408 PRESSURE: 3708600 -31.4247 -6.43497 16.8775 -6.43474 -193.106 110.021 16.878 110.022 -99.6473 GPRESSURE: 3708600 0.0748624 -14.63 -53.1682 18.9812 -162.443 72.339 44.1082 10.2734 -70.141 PRESSAVG: 3708600 -26.3355 -58.6166 26.2061 -58.6166 61.2217 20.7189 26.206 20.7188 -46.5339 GPRESSAVG: 3708600 -26.1518 -59.8065 26.1074 -59.354 60.5335 17.3965 26.3358 22.1435 -46.1476 TIMING: 3708600 CPU: 10774.7, 0.0029313/step Wall: 10774.7, 0.0029313/step, 1.05152 hours remaining, 208.328125 MB of memory in use. ENERGY: 3708600 748.7299 2175.4569 1958.2945 111.3649 -205627.2824 17655.2002 0.0000 0.0000 34299.5749 -148678.6612 299.5467 -182978.2361 -148582.2445 300.5455 -108.0594 -77.5029 558500.7032 -3.8826 -3.9220 PRESSURE: 3708800 -32.0776 -51.6956 -51.2678 -51.696 23.5141 41.8208 -51.267 41.8205 9.58302 GPRESSURE: 3708800 6.96409 -3.10534 -13.4585 -102.351 57.1737 49.1589 -65.1505 71.4068 37.5533 PRESSAVG: 3708800 -40.4066 -4.9116 8.6212 -4.91149 27.3736 -38.9254 8.62124 -38.9253 28.7291 GPRESSAVG: 3708800 -39.3618 -4.38884 7.49745 -6.17557 27.0836 -37.3091 10.6694 -39.5434 28.4621 TIMING: 3708800 CPU: 10775.3, 0.00293578/step Wall: 10775.3, 0.00293578/step, 1.05297 hours remaining, 208.328125 MB of memory in use. ENERGY: 3708800 738.5674 2107.1665 1981.3491 104.2597 -205507.0680 17707.3661 0.0000 0.0000 34306.0389 -148562.3203 299.6032 -182868.3592 -148460.4050 300.7686 0.3399 33.8970 557778.8329 5.2321 5.3947 PRESSURE: 3709000 26.7827 5.65221 -189.781 5.65195 -115.313 67.9087 -189.781 67.9079 -391.481 GPRESSURE: 3709000 59.7943 -13.4881 -182.664 49.8692 -83.879 118.412 -169.137 -38.9647 -349.323 PRESSAVG: 3709000 -53.9348 -40.708 33.8372 -40.708 7.52023 15.1902 33.8372 15.1904 -11.5282 GPRESSAVG: 3709000 -53.5647 -41.0931 32.2603 -39.4327 6.76258 15.2454 33.5346 16.5704 -11.3457 TIMING: 3709000 CPU: 10775.9, 0.00292648/step Wall: 10775.9, 0.00292648/step, 1.04947 hours remaining, 208.328125 MB of memory in use. ENERGY: 3709000 762.4742 2156.1658 1970.1460 113.3169 -205490.9681 17476.3878 0.0000 0.0000 34365.9101 -148646.5674 300.1260 -183012.4774 -148540.3759 300.7493 -160.0036 -124.4693 557932.9054 -19.3143 -19.3826 PRESSURE: 3709200 -132.983 30.9238 58.3202 30.925 -135.953 -83.8208 58.3196 -83.8195 -137.956 GPRESSURE: 3709200 -125.527 -24.5425 -27.6633 119.791 -72.2685 -45.6858 40.9911 -141.074 -120.121 PRESSAVG: 3709200 -19.0842 -28.9202 38.4398 -28.9202 -13.4445 48.8897 38.4399 48.8896 -12.7301 GPRESSAVG: 3709200 -19.0367 -28.6048 40.9956 -28.4601 -12.7949 50.6472 38.289 50.0267 -13.1435 TIMING: 3709200 CPU: 10776.5, 0.00292225/step Wall: 10776.5, 0.00292225/step, 1.04779 hours remaining, 208.328125 MB of memory in use. ENERGY: 3709200 769.2645 2072.7164 1944.0785 135.7197 -205630.6379 17610.6034 0.0000 0.0000 34468.4666 -148629.7888 301.0217 -183098.2554 -148528.0187 300.8473 -135.6304 -105.9722 558266.2920 -15.0863 -14.9917 PRESSURE: 3709400 -220.232 -111.625 -159.66 -111.624 96.5395 -93.507 -159.66 -93.5064 155.135 GPRESSURE: 3709400 -180.474 -124.054 -200.072 -70.13 137.412 -40.2691 -231.502 -114.46 173.49 PRESSAVG: 3709400 -50.5486 7.89815 32.9883 7.89819 65.1323 16.4834 32.9883 16.4832 -11.5509 GPRESSAVG: 3709400 -50.6344 8.42098 31.1037 7.91873 66.1084 13.959 33.4278 15.0654 -12.6249 TIMING: 3709400 CPU: 10777.1, 0.00293537/step Wall: 10777.1, 0.00293537/step, 1.05233 hours remaining, 208.328125 MB of memory in use. ENERGY: 3709400 741.6845 2135.1102 1963.8763 97.3558 -205932.5171 17739.4099 0.0000 0.0000 34465.3042 -148789.7761 300.9941 -183255.0803 -148699.9687 300.2211 10.4810 43.4758 557709.3707 1.0110 0.9497 PRESSURE: 3709600 67.6826 91.4264 -61.792 91.427 -137.564 93.299 -61.7923 93.3018 -160.56 GPRESSURE: 3709600 123.34 12.276 11.3943 198.199 -99.6623 70.8624 -88.0059 138.564 -177.468 PRESSAVG: 3709600 15.0967 34.0106 52.1743 34.0107 -5.2986 -19.064 52.1742 -19.064 -20.7383 GPRESSAVG: 3709600 15.0541 33.4102 53.6463 34.358 -6.29677 -17.4474 51.1313 -17.9514 -20.1551 TIMING: 3709600 CPU: 10777.6, 0.00293558/step Wall: 10777.6, 0.00293558/step, 1.05224 hours remaining, 208.531250 MB of memory in use. ENERGY: 3709600 733.3611 2114.1910 1953.1781 110.8922 -205809.4852 17657.5545 0.0000 0.0000 34417.4413 -148822.8669 300.5761 -183240.3082 -148719.5478 300.6071 -76.8140 -51.2636 557975.7589 -3.6467 -3.7992 PRESSURE: 3709800 -252.042 15.4799 158.31 15.4794 -68.4169 -81.3955 158.311 -81.3965 -13.1073 GPRESSURE: 3709800 -216.147 89.1281 78.3025 -4.04311 -20.4337 -31.7316 31.323 -161.208 -7.25987 PRESSAVG: 3709800 44.8438 -23.4154 27.2731 -23.4154 38.4023 47.5686 27.2732 47.5686 -57.157 GPRESSAVG: 3709800 44.6898 -23.11 28.3125 -22.6631 39.1647 45.5143 27.5276 46.6996 -57.2242 TIMING: 3709800 CPU: 10778.2, 0.00295688/step Wall: 10778.2, 0.00295688/step, 1.05971 hours remaining, 208.531250 MB of memory in use. ENERGY: 3709800 744.8034 2153.7553 1963.0596 114.4088 -205636.3534 17553.9913 0.0000 0.0000 34308.9159 -148797.4191 299.6283 -183106.3350 -148706.5608 299.8148 -111.1887 -81.2802 558520.2645 8.6964 8.8768 PRESSURE: 3710000 -38.3809 -78.7673 -60.5974 -78.7658 -66.0945 118.879 -60.5974 118.879 -183.394 GPRESSURE: 3710000 8.25966 -145.228 -68.4666 -23.0561 -36.9407 145.848 -147.834 97.1058 -150.11 PRESSAVG: 3710000 -2.53432 -0.372764 -30.6004 -0.372818 -49.1846 1.79692 -30.6004 1.79699 16.7667 GPRESSAVG: 3710000 -2.94865 -0.63577 -31.9618 -1.63995 -48.7891 4.12568 -30.5946 2.71049 16.9914 TIMING: 3710000 CPU: 10778.8, 0.00294563/step Wall: 10778.8, 0.00294563/step, 1.05552 hours remaining, 208.531250 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: 3710000 731.8473 2092.8853 1959.8309 97.2935 -205849.0386 17767.5114 0.0000 0.0000 34212.5528 -148987.1173 298.7867 -183199.6701 -148893.2928 299.5467 -95.9565 -59.5969 559293.5776 -11.6507 -11.5821 PRESSURE: 3710200 -48.2879 -102.887 -3.72045 -102.888 6.40131 -86.949 -3.71975 -86.9492 -197.768 GPRESSURE: 3710200 -27.5105 -119.716 -62.7223 -2.36567 45.2891 -92.1879 78.5733 -97.6226 -161.496 PRESSAVG: 3710200 11.741 1.96313 -4.9048 1.96324 -26.4227 15.0155 -4.90478 15.0155 -34.2756 GPRESSAVG: 3710200 10.7884 0.4241 -6.4771 3.38524 -26.2756 13.5006 -2.54873 15.0738 -33.3976 TIMING: 3710200 CPU: 10779.4, 0.00296093/step Wall: 10779.4, 0.00296092/step, 1.06083 hours remaining, 208.601562 MB of memory in use. ENERGY: 3710200 743.2165 2026.9641 2000.3086 121.9481 -206177.6924 17810.7911 0.0000 0.0000 34594.4630 -148880.0010 302.1220 -183474.4640 -148773.9217 300.0531 -79.8847 -47.9057 559671.9438 -16.3191 -16.2949 PRESSURE: 3710400 9.55664 11.1092 84.8018 11.1093 -88.6667 -36.4576 84.8003 -36.4575 44.4511 GPRESSURE: 3710400 45.9451 40.7904 0.218251 -30.6472 -32.4358 -93.867 154.993 122.315 47.536 PRESSAVG: 3710400 -6.18806 15.8111 53.5095 15.8112 33.9008 3.57018 53.5095 3.57024 33.7344 GPRESSAVG: 3710400 -4.28201 17.2825 53.3221 16.0341 31.8833 6.49657 52.5876 3.01065 33.868 TIMING: 3710400 CPU: 10780, 0.00293378/step Wall: 10780, 0.00293378/step, 1.05095 hours remaining, 208.601562 MB of memory in use. ENERGY: 3710400 751.2852 2144.9518 1956.9209 102.8420 -206284.4566 17952.6639 0.0000 0.0000 34392.3162 -148983.4766 300.3567 -183375.7928 -148887.8862 299.6006 -11.5530 20.3484 559639.5269 20.4824 20.4898 PRESSURE: 3710600 -316.049 -35.1687 200.832 -35.1705 -35.6343 82.0701 200.831 82.0708 -134.396 GPRESSURE: 3710600 -282.664 -8.69546 181.991 -25.8023 -5.51217 68.4748 167.24 26.7562 -93.9021 PRESSAVG: 3710600 -24.132 44.705 -24.8434 44.705 4.61809 -20.6548 -24.8434 -20.6547 46.1533 GPRESSAVG: 3710600 -23.6482 42.453 -24.7303 44.8145 3.50881 -22.9481 -25.6844 -21.5875 45.6584 TIMING: 3710600 CPU: 10780.6, 0.00293925/step Wall: 10780.6, 0.00293925/step, 1.05274 hours remaining, 208.601562 MB of memory in use. ENERGY: 3710600 742.9473 2110.3714 1984.9292 112.4643 -206155.4454 17775.7999 0.0000 0.0000 34459.4059 -148969.5273 300.9426 -183428.9332 -148880.8137 300.4093 -162.0262 -127.3595 559387.4915 8.8798 8.5063 PRESSURE: 3710800 -32.1296 -87.8548 -201.697 -87.8551 -109.379 35.6827 -201.697 35.6826 -159.96 GPRESSURE: 3710800 0.688323 10.41 -191.336 -24.2329 -100.18 120.595 -197.538 -14.3052 -121.125 PRESSAVG: 3710800 3.3446 31.1855 2.72834 31.1856 -65.7565 -14.5039 2.72835 -14.504 43.6512 GPRESSAVG: 3710800 2.08289 32.2583 4.41081 28.7694 -64.1866 -13.9531 2.24085 -14.1444 43.5091 TIMING: 3710800 CPU: 10781.2, 0.00292436/step Wall: 10781.2, 0.00292436/step, 1.04724 hours remaining, 208.601562 MB of memory in use. ENERGY: 3710800 739.5848 2074.4584 1977.0455 113.6570 -205772.3591 17755.9019 0.0000 0.0000 34242.9688 -148868.7427 299.0524 -183111.7115 -148769.8146 299.9682 -100.4897 -73.5388 559701.0710 -6.2536 -6.1982 PRESSURE: 3711000 249.767 -65.0207 16.1903 -65.0215 -190.482 -4.65101 16.1899 -4.65044 97.0975 GPRESSURE: 3711000 251.637 -66.6372 -36.5129 -32.554 -98.5612 -28.5104 40.0774 -23.1653 101.849 PRESSAVG: 3711000 21.4198 -23.6062 -15.1854 -23.6062 25.7097 6.44937 -15.1855 6.44951 -21.5138 GPRESSAVG: 3711000 21.1095 -23.2263 -16.4747 -23.4766 25.8909 6.10281 -16.0814 7.49238 -21.1092 TIMING: 3711000 CPU: 10781.8, 0.0029354/step Wall: 10781.8, 0.0029354/step, 1.05103 hours remaining, 208.601562 MB of memory in use. ENERGY: 3711000 738.7025 2055.6456 1963.5122 107.9435 -205921.6082 17825.6158 0.0000 0.0000 34376.9335 -148853.2550 300.2223 -183230.1886 -148755.4611 300.0133 52.1274 84.9749 557582.3443 8.5386 8.6304 PRESSURE: 3711200 -263.546 -54.2429 -116.478 -54.2418 -177.491 -89.8084 -116.478 -89.8066 -20.0085 GPRESSURE: 3711200 -255.062 -61.418 -165.002 51.9373 -153.169 -211.965 -116.979 43.8823 32.6349 PRESSAVG: 3711200 23.3809 58.6852 -23.0479 58.6853 -39.5529 28.1327 -23.048 28.1326 -22.0984 GPRESSAVG: 3711200 24.0049 59.2067 -24.3506 58.2376 -40.1497 27.9218 -19.7758 29.1052 -22.3174 TIMING: 3711200 CPU: 10782.4, 0.00292524/step Wall: 10782.4, 0.00292524/step, 1.04724 hours remaining, 208.601562 MB of memory in use. ENERGY: 3711200 763.8839 2082.8377 1962.7688 119.0074 -205969.3374 17657.4626 0.0000 0.0000 34382.1079 -149001.2690 300.2675 -183383.3769 -148906.6551 300.0739 -153.6820 -125.1990 559364.3676 -12.7568 -12.8207 PRESSURE: 3711400 -304.504 -32.3527 50.9157 -32.3528 -214.536 64.4626 50.9154 64.4626 -238.815 GPRESSURE: 3711400 -274.77 -66.1235 71.5034 49.6218 -199.912 39.2004 9.1579 77.2956 -189.341 PRESSAVG: 3711400 -80.4793 -27.2293 -11.0296 -27.2293 44.0264 42.6242 -11.0297 42.6243 13.523 GPRESSAVG: 3711400 -80.9202 -27.6406 -10.8331 -25.1227 44.1126 45.3106 -10.3805 40.554 13.6155 TIMING: 3711400 CPU: 10782.9, 0.00292095/step Wall: 10782.9, 0.00292095/step, 1.04554 hours remaining, 208.601562 MB of memory in use. ENERGY: 3711400 766.7288 2069.1483 1977.6300 116.9258 -206027.2497 17711.7748 0.0000 0.0000 34257.8784 -149127.1636 299.1826 -183385.0420 -149026.3900 299.5124 -252.6183 -221.3408 558903.1203 -7.6433 -7.7307 PRESSURE: 3711600 -169.988 -14.2657 195.901 -14.2663 32.3413 5.08639 195.9 5.08571 -44.8858 GPRESSURE: 3711600 -184.276 -7.5637 172.257 -28.9612 44.0901 113.961 120.407 -86.5528 56.7456 PRESSAVG: 3711600 -90.2934 4.55127 12.9652 4.55134 79.811 20.9018 12.9653 20.9019 -18.9717 GPRESSAVG: 3711600 -89.6117 4.68148 14.5026 3.43228 79.9704 18.9058 10.7596 19.6961 -19.0805 TIMING: 3711600 CPU: 10783.5, 0.00292817/step Wall: 10783.5, 0.00292817/step, 1.04796 hours remaining, 208.601562 MB of memory in use. ENERGY: 3711600 717.9041 2143.0580 1948.1613 109.3783 -206025.5501 17735.2794 0.0000 0.0000 34135.7145 -149236.0545 298.1157 -183371.7690 -149136.1382 299.4592 -60.8443 -27.8135 558029.9626 -9.8181 -9.5739 PRESSURE: 3711800 -107.672 43.1573 -122.533 43.1572 -107.409 -1.32451 -122.533 -1.32541 47.1961 GPRESSURE: 3711800 -54.6882 39.0559 -101.998 58.7296 -29.7759 -11.2348 -125.757 -60.3818 20.5284 PRESSAVG: 3711800 -27.0325 15.4699 -21.9258 15.4699 16.0101 -26.5019 -21.9257 -26.502 40.124 GPRESSAVG: 3711800 -27.364 16.5587 -22.7414 13.0282 14.9308 -25.1785 -21.1343 -26.5369 41.1803 TIMING: 3711800 CPU: 10784.1, 0.00292645/step Wall: 10784.1, 0.00292645/step, 1.04718 hours remaining, 208.601562 MB of memory in use. ENERGY: 3711800 761.2243 2048.7315 1955.2729 103.4850 -206007.0047 17799.6220 0.0000 0.0000 34203.2061 -149135.4629 298.7051 -183338.6690 -149030.8536 299.0021 -55.9615 -21.3119 557909.0303 9.7005 9.5824 PRESSURE: 3712000 232.737 -52.6585 -55.0426 -52.658 103.763 -107.869 -55.0427 -107.869 -182.428 GPRESSURE: 3712000 198.468 -101.519 -28.7435 -41.526 144.947 -11.9958 -30.8803 -128.435 -108.696 PRESSAVG: 3712000 -6.07822 17.074 -13.8938 17.0739 54.1455 -18.3771 -13.8938 -18.377 -64.6003 GPRESSAVG: 3712000 -5.52361 15.7906 -12.7565 19.6718 55.0342 -19.0868 -15.6213 -15.7955 -65.8798 TIMING: 3712000 CPU: 10784.7, 0.00293128/step Wall: 10784.7, 0.00293128/step, 1.04875 hours remaining, 208.601562 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: 3712000 750.5281 2103.6395 1946.0464 119.9242 -206040.1235 17887.7417 0.0000 0.0000 34298.9199 -148933.3238 299.5410 -183232.2437 -148833.0500 300.0765 51.3573 78.2394 557956.2719 -5.5110 -5.4564 PRESSURE: 3712200 -55.4617 58.9198 -70.6318 58.9187 -104.469 110.772 -70.6322 110.773 -177.151 GPRESSURE: 3712200 -48.7007 51.013 49.172 4.46162 -67.9828 76.8465 -44.8386 74.1978 -117.023 PRESSAVG: 3712200 9.16184 -31.1033 0.613678 -31.1033 24.6302 -14.7265 0.613608 -14.7265 6.51208 GPRESSAVG: 3712200 7.2487 -30.2519 0.804697 -31.6227 24.1678 -15.0063 0.179089 -16.4068 8.62529 TIMING: 3712200 CPU: 10785.3, 0.00293879/step Wall: 10785.3, 0.00293879/step, 1.05127 hours remaining, 208.601562 MB of memory in use. ENERGY: 3712200 777.6041 2126.7404 1943.8580 115.7536 -206446.9406 17801.2738 0.0000 0.0000 34566.8640 -149114.8467 301.8810 -183681.7106 -149020.9125 300.0698 -112.3608 -77.9021 558354.5568 13.4347 13.3473 LDB: ============= START OF LOAD BALANCING ============== 10788.8 LDB: ============== END OF LOAD BALANCING =============== 10788.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10788.8 LDB: ============= START OF LOAD BALANCING ============== 10789 LDB: Largest compute 4820 load 0.033350 is 28.3% of average load 0.117796 LDB: Average compute 0.001731 is 1.5% of average load 0.117796 LDB: TIME 10789.1 LOAD: AVG 0.117796 MAX 0.18597 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 10789.1 LOAD: AVG 0.117796 MAX 0.18597 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: TIME 10789.1 LOAD: AVG 0.117796 MAX 0.18597 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.883 MB LDB: ============== END OF LOAD BALANCING =============== 10789.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10789.1 PRESSURE: 3712400 -101.861 -85.7251 -128.732 -85.7257 -106.405 11.9457 -128.732 11.9451 -88.2459 GPRESSURE: 3712400 -73.901 -5.74756 -173.707 -100.802 -75.5474 -25.0699 -116.35 -118.009 -53.663 PRESSAVG: 3712400 7.6741 17.3762 23.6319 17.3762 -9.38062 0.817011 23.6319 0.817034 23.9357 GPRESSAVG: 3712400 9.16801 16.7343 21.4447 17.6706 -8.25461 -0.256907 24.9816 -0.740156 21.4514 TIMING: 3712400 CPU: 10785.9, 0.00300841/step Wall: 10785.9, 0.00300841/step, 1.07601 hours remaining, 206.988281 MB of memory in use. ENERGY: 3712400 739.2773 2140.2194 1950.3323 122.9302 -206229.3546 17922.3174 0.0000 0.0000 34266.7940 -149087.4839 299.2604 -183354.2779 -148992.9967 299.0499 -98.8371 -67.7038 559574.3022 7.4097 7.4549 PRESSURE: 3712600 267.344 -79.8954 163.66 -79.8963 -52.987 40.511 163.66 40.5119 -139.683 GPRESSURE: 3712600 326.524 -48.5843 197.173 -55.9658 -44.6515 101.134 160.178 46.8943 -117.821 PRESSAVG: 3712600 0.625598 -30.9483 12.9005 -30.9484 -28.6888 13.2796 12.9005 13.2797 8.57258 GPRESSAVG: 3712600 1.19185 -31.8089 12.802 -30.8989 -29.4153 13.2095 12.8258 14.9607 9.57378 TIMING: 3712600 CPU: 10786.5, 0.00293179/step Wall: 10786.5, 0.00293179/step, 1.04844 hours remaining, 206.988281 MB of memory in use. ENERGY: 3712600 765.9334 2065.9314 1971.1269 114.0273 -206471.3652 17851.6447 0.0000 0.0000 34643.6391 -149059.0625 302.5515 -183702.7016 -148965.6074 299.5129 24.8914 54.6840 556563.7350 -6.4969 -6.2165 PRESSURE: 3712800 -22.9114 -25.2395 158.024 -25.2402 -30.8362 226.076 158.024 226.075 -121.858 GPRESSURE: 3712800 85.6754 -84.48 206.293 -4.86285 -32.883 199.681 193.593 163.132 -129.562 PRESSAVG: 3712800 -35.7833 38.1502 59.3264 38.1504 -5.07087 13.6174 59.3264 13.6175 43.7466 GPRESSAVG: 3712800 -36.1057 39.6103 60.2311 38.5538 -5.29994 14.1785 57.5106 13.1373 44.634 TIMING: 3712800 CPU: 10787.1, 0.0029269/step Wall: 10787.1, 0.0029269/step, 1.04653 hours remaining, 206.988281 MB of memory in use. ENERGY: 3712800 785.1282 2115.5938 1962.2182 112.7297 -205989.7710 17774.4752 0.0000 0.0000 34144.2884 -149095.3375 298.1906 -183239.6259 -149002.7691 299.6875 -58.5353 -25.5897 559100.4797 0.9642 1.0761 PRESSURE: 3713000 21.1327 -171.723 -28.6066 -171.722 -42.7627 38.169 -28.6061 38.1692 -17.4604 GPRESSURE: 3713000 68.0079 -146.358 -48.5005 -187.282 -28.8876 -6.21825 27.5363 61.0403 13.4057 PRESSAVG: 3713000 24.9032 7.59749 18.6254 7.59745 -23.3045 54.6564 18.6254 54.6564 1.22146 GPRESSAVG: 3713000 24.3106 5.56501 19.8982 9.29099 -21.6701 55.8836 17.827 53.1894 0.219613 TIMING: 3713000 CPU: 10787.6, 0.00292634/step Wall: 10787.6, 0.00292634/step, 1.04617 hours remaining, 206.988281 MB of memory in use. ENERGY: 3713000 760.7905 2140.1837 1978.7511 102.6661 -206116.5555 17728.7553 0.0000 0.0000 34336.2721 -149069.1367 299.8672 -183405.4087 -148966.1446 299.0035 -13.0301 17.5086 557468.5600 0.9400 0.9534 PRESSURE: 3713200 27.0008 13.5112 -139.887 13.5122 7.16864 84.495 -139.887 84.4964 -117.6 GPRESSURE: 3713200 62.0643 39.043 -206.596 13.3425 19.323 214.044 -30.7684 99.1577 -70.0075 PRESSAVG: 3713200 20.1777 4.41401 12.4036 4.41409 -6.73895 49.9978 12.4036 49.998 -35.7362 GPRESSAVG: 3713200 20.4014 5.64842 8.43112 5.51282 -6.61328 48.7773 16.341 52.0264 -35.6706 TIMING: 3713200 CPU: 10788.2, 0.00290957/step Wall: 10788.2, 0.00290957/step, 1.04001 hours remaining, 206.988281 MB of memory in use. ENERGY: 3713200 768.8680 2089.5064 1922.6560 108.2262 -205907.7169 17799.6109 0.0000 0.0000 34223.7505 -148995.0989 298.8845 -183218.8495 -148900.9476 299.7519 -27.8102 3.7933 557775.2650 -7.4325 -7.2942 PRESSURE: 3713400 -2.91711 59.0713 -43.4268 59.0732 127.724 -56.916 -43.4268 -56.9166 -29.9151 GPRESSURE: 3713400 64.4361 67.2653 -51.0181 66.7518 86.5825 -52.4545 -18.9277 -44.2725 23.4038 PRESSAVG: 3713400 50.2215 45.2055 10.0818 45.2055 31.1223 -12.5482 10.0818 -12.5482 -56.8039 GPRESSAVG: 3713400 50.4045 47.2727 11.6036 41.8554 31.0549 -13.0787 9.39519 -14.7117 -56.7998 TIMING: 3713400 CPU: 10788.8, 0.00292687/step Wall: 10788.8, 0.00292687/step, 1.04603 hours remaining, 206.988281 MB of memory in use. ENERGY: 3713400 727.0941 2121.9747 1960.4085 121.1608 -205977.5007 17712.9776 0.0000 0.0000 34371.0220 -148962.8629 300.1707 -183333.8849 -148863.1788 300.6101 31.6306 58.1408 556780.6041 8.1800 8.2198 PRESSURE: 3713600 -13.4025 -19.8062 169.785 -19.8073 -353.744 62.3471 169.787 62.3463 37.4778 GPRESSURE: 3713600 7.51579 9.7429 242.284 24.0885 -327.76 45.4301 53.0336 38.9231 82.9009 PRESSAVG: 3713600 -22.4624 19.1151 -23.8124 19.115 -21.962 -26.3789 -23.8125 -26.3788 26.1125 GPRESSAVG: 3713600 -22.2253 17.3435 -22.5845 19.869 -21.8472 -25.1406 -26.3048 -27.7336 26.1192 TIMING: 3713600 CPU: 10789.4, 0.00292581/step Wall: 10789.4, 0.00292581/step, 1.04549 hours remaining, 206.988281 MB of memory in use. ENERGY: 3713600 710.1468 2168.7981 1936.1893 114.2948 -205926.9972 17684.8557 0.0000 0.0000 34412.6801 -148900.0324 300.5345 -183312.7125 -148804.2105 300.1959 -109.8897 -79.1144 557433.0854 -6.1040 -5.9844 PRESSURE: 3713800 -0.275536 -61.8116 78.871 -61.8121 220.034 58.7828 78.871 58.7827 -249.673 GPRESSURE: 3713800 15.3979 -42.3042 55.2416 -81.3941 246.585 -33.4935 172.276 134.501 -193.957 PRESSAVG: 3713800 -18.7417 -4.51882 1.20484 -4.51886 9.10004 -2.59126 1.20487 -2.59131 -37.4346 GPRESSAVG: 3713800 -18.7508 -3.48576 1.99553 -4.05997 9.25817 -3.74411 2.31994 -1.41557 -37.1786 TIMING: 3713800 CPU: 10790, 0.00292441/step Wall: 10790, 0.00292441/step, 1.04483 hours remaining, 206.988281 MB of memory in use. ENERGY: 3713800 736.6767 2073.4079 1955.0251 111.3731 -206531.6583 17949.9234 0.0000 0.0000 34511.2674 -149193.9847 301.3955 -183705.2521 -149096.0936 299.8232 -9.9715 22.6752 557233.6887 -15.6921 -15.5571 PRESSURE: 3714000 -233.558 3.66571 -138.792 3.66572 -314.82 132.229 -138.791 132.229 16.8371 GPRESSURE: 3714000 -188.807 75.5869 -129.093 -62.008 -345.047 246.927 -169.22 42.1074 85.691 PRESSAVG: 3714000 -0.339875 16.8601 35.3387 16.86 -2.68499 -32.0691 35.3386 -32.0692 57.1016 GPRESSAVG: 3714000 0.578301 15.8716 34.3117 17.033 -3.77238 -31.7653 37.2213 -29.7123 56.9108 TIMING: 3714000 CPU: 10790.6, 0.00292624/step Wall: 10790.6, 0.00292624/step, 1.04532 hours remaining, 206.988281 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: 3714000 744.9261 2077.7433 1948.8841 115.7952 -206172.7017 17585.0300 0.0000 0.0000 34372.8961 -149327.4267 300.1871 -183700.3228 -149232.7805 299.1113 -177.1805 -149.3877 557535.2044 18.0256 17.9056 PRESSURE: 3714200 -236.548 36.0216 -130.66 36.0222 -69.7769 -137.834 -130.661 -137.832 -22.1797 GPRESSURE: 3714200 -232.832 0.871043 -179.126 113.805 -30.2288 -155.046 3.30848 -88.3051 33.2788 PRESSAVG: 3714200 -21.3337 10.7756 42.6253 10.7756 -94.4966 -49.596 42.6253 -49.596 110.696 GPRESSAVG: 3714200 -21.531 11.1606 44.6627 10.761 -94.3867 -48.4868 42.3135 -52.0961 111.21 TIMING: 3714200 CPU: 10791.2, 0.00294905/step Wall: 10791.2, 0.00294905/step, 1.0533 hours remaining, 206.988281 MB of memory in use. ENERGY: 3714200 725.8723 2105.6635 1972.7820 104.5321 -206073.6790 17649.5801 0.0000 0.0000 34265.3435 -149249.9056 299.2478 -183515.2490 -149152.3776 299.3716 -109.5016 -76.5939 556843.7453 -1.7115 -1.5692 PRESSURE: 3714400 390.69 79.6226 -54.2503 79.6225 0.883405 -140.45 -54.2513 -140.45 93.7019 GPRESSURE: 3714400 412.621 -39.4618 1.19539 50.5117 43.261 -4.91245 -74.4849 -173.368 125.978 PRESSAVG: 3714400 -1.14303 3.25845 48.0174 3.25844 -32.6552 -25.2275 48.0174 -25.2277 -35.0372 GPRESSAVG: 3714400 -0.198762 2.84417 46.2924 1.02604 -33.0963 -25.4068 46.1043 -24.1664 -35.5709 TIMING: 3714400 CPU: 10791.7, 0.0029295/step Wall: 10791.7, 0.00292949/step, 1.04616 hours remaining, 206.988281 MB of memory in use. ENERGY: 3714400 747.3939 2077.6969 1995.7816 94.1180 -206446.6773 18173.4123 0.0000 0.0000 34142.3529 -149215.9216 298.1737 -183358.2745 -149119.1898 298.8944 161.7585 193.9532 557449.7520 -22.9451 -22.9553 PRESSURE: 3714600 -341.029 -195.208 266.262 -195.207 80.9624 -31.549 266.261 -31.5487 202.373 GPRESSURE: 3714600 -288.102 -168.572 209.382 -120.194 94.0113 39.0613 228.617 -107.285 240.889 PRESSAVG: 3714600 11.33 -13.812 55.1857 -13.8119 18.0621 -56.9663 55.1857 -56.9663 -14.3622 GPRESSAVG: 3714600 11.2888 -12.2544 56.6042 -11.8768 17.6913 -57.9546 54.9622 -55.5777 -13.8216 TIMING: 3714600 CPU: 10792.3, 0.00292843/step Wall: 10792.3, 0.00292843/step, 1.04561 hours remaining, 206.988281 MB of memory in use. ENERGY: 3714600 744.5490 2085.8358 1952.0873 121.0057 -206400.3813 17836.2536 0.0000 0.0000 34332.0210 -149328.6289 299.8301 -183660.6499 -149230.5328 298.9662 -19.2313 15.5995 556235.1131 5.0100 5.0529 PRESSURE: 3714800 -25.6011 31.3666 134.52 31.3666 -93.4701 22.6629 134.519 22.6624 -136.735 GPRESSURE: 3714800 -18.8479 10.8869 135.34 9.56924 -16.6601 148.885 107.827 -39.0508 -127.31 PRESSAVG: 3714800 28.0199 -19.678 22.1716 -19.6779 1.83263 24.3556 22.1716 24.3556 -25.8824 GPRESSAVG: 3714800 25.7048 -18.9201 21.6476 -22.036 4.00452 24.735 23.727 24.2058 -26.0556 TIMING: 3714800 CPU: 10792.9, 0.00294094/step Wall: 10792.9, 0.00294094/step, 1.04992 hours remaining, 207.039062 MB of memory in use. ENERGY: 3714800 772.1816 2059.6385 1950.9935 111.4915 -206164.2440 17683.2614 0.0000 0.0000 34234.7859 -149351.8916 298.9809 -183586.6775 -149253.9753 298.9573 -85.2688 -54.2727 557231.1521 1.3234 1.2179 PRESSURE: 3715000 -86.451 139.416 24.1498 139.416 -32.3719 -101.705 24.1498 -101.704 112.992 GPRESSURE: 3715000 -57.9468 178.137 -60.1351 119.172 54.9987 -86.9372 43.0665 -68.9727 92.9036 PRESSAVG: 3715000 39.5325 -1.77413 31.4331 -1.77423 -46.1317 -13.4241 31.433 -13.4241 15.5198 GPRESSAVG: 3715000 40.2815 -2.95487 30.5855 -2.91351 -45.5051 -12.5683 30.3409 -14.381 13.999 TIMING: 3715000 CPU: 10793.5, 0.00295355/step Wall: 10793.5, 0.00295355/step, 1.05425 hours remaining, 207.039062 MB of memory in use. ENERGY: 3715000 733.3882 2103.0439 1962.7150 103.3371 -206147.9870 17848.0232 0.0000 0.0000 34139.7106 -149257.7689 298.1506 -183397.4795 -149160.7463 298.8715 -1.9437 29.9851 558719.6330 2.9736 2.9252 PRESSURE: 3715200 75.266 -97.7487 42.1176 -97.7485 -87.9133 -118.274 42.1163 -118.276 81.5007 GPRESSURE: 3715200 128.599 -76.8195 54.6454 -166.591 -92.0844 -54.9733 80.677 -153.72 124.902 PRESSAVG: 3715200 15.6373 -0.87823 -1.76233 -0.878195 -37.1839 40.8408 -1.76239 40.8408 38.2536 GPRESSAVG: 3715200 16.455 -2.1275 -2.41074 0.279087 -38.6238 41.2489 -0.493203 42.17 38.8977 TIMING: 3715200 CPU: 10794.1, 0.00296087/step Wall: 10794.1, 0.00296087/step, 1.0567 hours remaining, 207.039062 MB of memory in use. ENERGY: 3715200 754.5519 2079.1226 1966.0216 101.7813 -206503.6037 17919.0413 0.0000 0.0000 34366.9300 -149316.1549 300.1349 -183683.0850 -149213.4035 298.6846 22.9511 53.8055 557699.5364 5.5690 5.5763 PRESSURE: 3715400 69.9815 108.11 291.736 108.11 -126.812 224.027 291.735 224.029 -263.141 GPRESSURE: 3715400 92.4995 53.0276 318.449 158.35 -100.179 215.718 153.85 237.74 -205.011 PRESSAVG: 3715400 -27.1625 14.6112 31.8646 14.6112 -49.5565 17.8168 31.8646 17.8167 73.4178 GPRESSAVG: 3715400 -26.1886 14.7145 33.3627 16.8771 -50.4811 16.7948 33.0909 18.1824 73.5136 TIMING: 3715400 CPU: 10794.7, 0.00293087/step Wall: 10794.7, 0.00293087/step, 1.04583 hours remaining, 207.039062 MB of memory in use. ENERGY: 3715400 793.2286 2099.3743 1936.8353 128.0310 -206400.2540 17852.7284 0.0000 0.0000 34291.7443 -149298.3120 299.4783 -183590.0563 -149202.7215 298.0187 -106.6573 -70.8967 558045.2211 -1.1004 -1.0520 PRESSURE: 3715600 -138.975 77.4574 38.8722 77.4572 -264.2 -51.063 38.8731 -51.062 -209.523 GPRESSURE: 3715600 -125.41 149.666 -19.8272 52.029 -180.777 -69.2395 35.0161 -46.0147 -200.077 PRESSAVG: 3715600 29.8371 -27.6864 17.9613 -27.6863 -75.0429 62.1762 17.9613 62.1761 60.529 GPRESSAVG: 3715600 28.0998 -27.2078 18.1802 -29.6849 -74.3526 62.5077 17.061 59.6669 61.2989 TIMING: 3715600 CPU: 10795.3, 0.00293413/step Wall: 10795.3, 0.00293413/step, 1.04683 hours remaining, 207.039062 MB of memory in use. ENERGY: 3715600 765.7576 2091.5245 1971.9442 104.1854 -206013.5726 17572.7040 0.0000 0.0000 34143.3230 -149364.1339 298.1821 -183507.4569 -149257.4533 297.8331 -204.2327 -168.7546 558703.5864 5.1077 5.0154 PRESSURE: 3715800 56.617 66.3655 -47.8519 66.3654 114.56 61.6079 -47.8503 61.6076 76.8402 GPRESSURE: 3715800 118.352 85.8586 -162.729 100.375 136.702 77.5678 -21.7473 61.5527 85.4367 PRESSAVG: 3715800 90.8545 -24.7924 -61.7677 -24.7923 -94.6254 -46.0098 -61.7676 -46.0097 52.6482 GPRESSAVG: 3715800 91.4871 -27.5897 -65.1086 -22.173 -95.0095 -46.734 -60.6428 -45.2625 52.4956 TIMING: 3715800 CPU: 10795.9, 0.00295253/step Wall: 10795.9, 0.00295253/step, 1.05323 hours remaining, 207.039062 MB of memory in use. ENERGY: 3715800 714.3290 2100.8231 1952.3271 106.6063 -206346.7027 17911.3677 0.0000 0.0000 34140.9511 -149420.2983 298.1614 -183561.2494 -149326.4952 298.4328 82.6723 113.4969 557462.4556 16.2924 16.3244 PRESSURE: 3716000 -141.418 -129.167 -64.3826 -129.167 -189.048 86.8976 -64.3838 86.8975 148.552 GPRESSURE: 3716000 -107.869 -72.0253 -126.342 -172.77 -98.7453 120.553 -27.9341 18.6525 126.714 PRESSAVG: 3716000 13.4594 -4.10503 -18.2281 -4.10505 -2.17094 20.506 -18.228 20.5061 -1.66499 GPRESSAVG: 3716000 13.2719 -3.42146 -16.6618 -4.69082 -1.79485 20.2624 -18.077 21.0589 -1.65316 TIMING: 3716000 CPU: 10796.4, 0.00294565/step Wall: 10796.4, 0.00294565/step, 1.05062 hours remaining, 207.039062 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: 3716000 722.0213 2062.6204 1957.4502 106.5921 -206229.9689 17701.3876 0.0000 0.0000 34083.5418 -149596.3555 297.6600 -183679.8973 -149508.6173 299.0696 -60.6379 -26.6337 557951.4666 3.2078 3.2746 PRESSURE: 3716200 0.359529 28.6207 -54.7972 28.6219 153.584 -33.4742 -54.7974 -33.4739 -65.8571 GPRESSURE: 3716200 -52.8494 62.0631 6.59409 -74.1873 200.21 33.2638 -127.52 -93.1972 30.8255 PRESSAVG: 3716200 15.5287 -8.28725 -52.1427 -8.28727 -1.72282 -20.2625 -52.1427 -20.2626 -25.5839 GPRESSAVG: 3716200 15.1891 -4.73397 -53.5525 -9.91626 -1.26818 -18.356 -52.5279 -21.5585 -26.0698 TIMING: 3716200 CPU: 10797, 0.00292811/step Wall: 10797, 0.00292811/step, 1.0442 hours remaining, 207.039062 MB of memory in use. ENERGY: 3716200 708.6125 2115.5820 1917.7207 108.9144 -206668.0961 17871.0363 0.0000 0.0000 34321.7958 -149624.4345 299.7408 -183946.2303 -149533.5824 298.0355 29.3620 59.3954 557374.9546 -3.9260 -4.0497 LDB: ============= START OF LOAD BALANCING ============== 10800.5 LDB: ============== END OF LOAD BALANCING =============== 10800.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10800.5 LDB: ============= START OF LOAD BALANCING ============== 10800.8 LDB: Largest compute 4820 load 0.032196 is 27.3% of average load 0.117883 LDB: Average compute 0.001725 is 1.5% of average load 0.117883 LDB: TIME 10800.8 LOAD: AVG 0.117883 MAX 0.184072 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.422 MB LDB: TIME 10800.8 LOAD: AVG 0.117883 MAX 0.184072 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: TIME 10800.8 LOAD: AVG 0.117883 MAX 0.184072 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.625 MB LDB: ============== END OF LOAD BALANCING =============== 10800.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10800.8 Info: useSync: 0 useProxySync: 0 PRESSURE: 3716400 -106.047 6.87721 -108.394 6.8773 -17.529 -49.8174 -108.394 -49.8146 -53.797 GPRESSURE: 3716400 -52.81 5.17806 -80.7533 -73.4 -2.38052 -45.736 -103.348 -99.7002 -22.19 PRESSAVG: 3716400 -24.5337 -31.0795 -48.0297 -31.0795 64.631 -72.1976 -48.0297 -72.1976 -49.7203 GPRESSAVG: 3716400 -23.9668 -34.863 -47.8612 -30.9004 64.3243 -74.1731 -48.7102 -71.968 -49.5584 TIMING: 3716400 CPU: 10797.6, 0.00299056/step Wall: 10797.6, 0.00299056/step, 1.0663 hours remaining, 208.187500 MB of memory in use. ENERGY: 3716400 754.6488 2058.2550 1957.6516 105.1301 -206591.0942 17935.9669 0.0000 0.0000 34172.3577 -149607.0841 298.4357 -183779.4418 -149509.3178 298.0380 -59.1244 -25.7935 557597.1804 -3.2077 -3.0670 PRESSURE: 3716600 163.331 14.8628 -168.57 14.8632 264.207 -177.568 -168.571 -177.567 -24.3926 GPRESSURE: 3716600 214.358 -22.483 -88.2959 7.31016 333.9 -243.018 -199.453 -86.097 -44.2744 PRESSAVG: 3716600 63.0041 52.6745 -41.6563 52.6744 2.18052 -41.6087 -41.6562 -41.6087 -31.3276 GPRESSAVG: 3716600 62.1237 55.7429 -38.6339 51.3553 3.29625 -41.1787 -44.4559 -40.2823 -32.0785 TIMING: 3716600 CPU: 10798.2, 0.00293706/step Wall: 10798.2, 0.00293706/step, 1.04706 hours remaining, 208.257812 MB of memory in use. ENERGY: 3716600 772.0451 2055.1240 1939.4837 109.3777 -206889.7556 18324.6359 0.0000 0.0000 34160.6290 -149528.4602 298.3333 -183689.0892 -149432.3585 297.8711 134.3820 167.9945 557627.6971 11.2857 11.1138 PRESSURE: 3716800 -123.916 8.29973 9.34036 8.29978 310.762 92.5158 9.34195 92.516 -327.343 GPRESSURE: 3716800 -63.2526 -90.7714 -43.9521 178.598 293.849 36.7243 48.3272 76.799 -261.131 PRESSAVG: 3716800 -55.2995 77.2855 0.239183 77.2854 31.4892 -12.947 0.239261 -12.947 23.8728 GPRESSAVG: 3716800 -54.8099 75.1869 -1.77637 80.8846 30.639 -12.0706 3.37179 -14.5558 24.3775 TIMING: 3716800 CPU: 10798.8, 0.0029537/step Wall: 10798.8, 0.0029537/step, 1.05283 hours remaining, 208.257812 MB of memory in use. ENERGY: 3716800 768.0608 2095.3660 1945.6402 115.6487 -206429.6935 17902.9249 0.0000 0.0000 34455.0620 -149146.9909 300.9046 -183602.0529 -149047.6658 298.2704 -46.8321 -10.1781 558235.3282 0.0208 0.0689 PRESSURE: 3717000 187.343 158.916 -20.6066 158.916 34.8063 -111.963 -20.6062 -111.963 228.398 GPRESSURE: 3717000 174.262 105.541 -61.0964 189.124 80.5878 -103.413 14.5132 -121.797 295.651 PRESSAVG: 3717000 -39.4748 79.3135 -44.8104 79.3136 38.5517 -43.85 -44.8103 -43.85 22.6164 GPRESSAVG: 3717000 -39.0356 80.2063 -46.1434 77.3717 37.8234 -45.9955 -46.7813 -42.2398 22.4319 TIMING: 3717000 CPU: 10799.4, 0.00296113/step Wall: 10799.4, 0.00296113/step, 1.05531 hours remaining, 208.460938 MB of memory in use. ENERGY: 3717000 715.0414 2012.4947 1949.4406 107.5979 -206082.8089 17978.8488 0.0000 0.0000 34110.7801 -149208.6054 297.8979 -183319.3855 -149109.3585 299.4094 150.1824 183.5003 558461.8681 7.2311 7.0732 PRESSURE: 3717200 20.0451 -75.0989 -79.6558 -75.0985 58.0643 -139.574 -79.6562 -139.574 97.0933 GPRESSURE: 3717200 42.5414 -173.119 -80.7398 -30.6147 108.377 -63.583 -29.3976 -155.373 118.648 PRESSAVG: 3717200 -56.1094 41.8925 -1.87723 41.8926 19.2916 -23.2168 -1.8772 -23.2168 72.637 GPRESSAVG: 3717200 -57.2232 42.1589 -0.786526 41.6989 20.7829 -23.007 1.63481 -23.2403 72.2561 TIMING: 3717200 CPU: 10800, 0.00296149/step Wall: 10800, 0.00296149/step, 1.05528 hours remaining, 208.460938 MB of memory in use. ENERGY: 3717200 752.0661 2096.0108 1963.1265 110.8748 -206375.2638 18032.3864 0.0000 0.0000 34264.2826 -149156.5165 299.2385 -183420.7990 -149061.4848 299.1645 58.4009 89.8556 557205.3669 11.9397 11.9386 PRESSURE: 3717400 132.002 -2.94913 99.4688 -2.94819 43.6044 -61.8783 99.4682 -61.8794 -9.59626 GPRESSURE: 3717400 164.235 6.37294 127.285 51.7156 80.7537 -95.6423 66.8147 -72.4469 26.8118 PRESSAVG: 3717400 -96.0768 -42.4857 11.076 -42.4858 86.495 -54.0524 11.0759 -54.0523 14.0354 GPRESSAVG: 3717400 -94.9302 -41.6608 12.9371 -41.3901 85.429 -54.5163 8.58378 -56.0787 14.373 TIMING: 3717400 CPU: 10800.6, 0.00293607/step Wall: 10800.6, 0.00293607/step, 1.04606 hours remaining, 208.460938 MB of memory in use. ENERGY: 3717400 684.0285 2134.0186 1974.1545 115.6557 -206411.0325 17717.2426 0.0000 0.0000 34575.5555 -149210.3772 301.9569 -183785.9327 -149110.2779 298.9956 55.3368 90.6003 556438.0314 1.4845 1.6239 PRESSURE: 3717600 49.2312 87.7095 158.092 87.7083 -81.8371 62.2911 158.094 62.2916 81.6835 GPRESSURE: 3717600 86.8178 119.419 206.399 38.1051 -83.6673 31.0429 103.745 56.0359 129.866 PRESSAVG: 3717600 -52.1883 -32.9815 49.0257 -32.9816 36.9925 -45.7518 49.0258 -45.7518 -7.3652 GPRESSAVG: 3717600 -51.6286 -34.3424 47.0657 -34.8491 37.0145 -45.3654 49.8378 -43.4442 -7.87889 TIMING: 3717600 CPU: 10801.2, 0.00293721/step Wall: 10801.2, 0.00293721/step, 1.0463 hours remaining, 208.460938 MB of memory in use. ENERGY: 3717600 730.8960 2113.0135 1939.8120 100.6546 -205862.7977 17683.1712 0.0000 0.0000 34070.9671 -149224.2833 297.5502 -183295.2504 -149122.5038 298.9277 16.3592 44.3387 558555.5133 -7.5203 -7.4977 PRESSURE: 3717800 106.876 42.2557 -151.07 42.2554 -58.7801 61.7015 -151.069 61.7016 101.828 GPRESSURE: 3717800 143.134 134.808 -211.153 47.0324 -38.7305 119.329 -148.486 68.1404 141.236 PRESSAVG: 3717800 42.7544 -53.3851 31.2899 -53.3851 -19.8337 17.6723 31.2898 17.6723 -23.4155 GPRESSAVG: 3717800 41.5309 -52.0038 30.6378 -53.6366 -18.5692 17.7912 31.3352 16.1999 -23.5378 TIMING: 3717800 CPU: 10801.8, 0.00294126/step Wall: 10801.8, 0.00294126/step, 1.04758 hours remaining, 208.460938 MB of memory in use. ENERGY: 3717800 751.7193 2106.0969 1942.9754 109.4243 -206550.9180 18022.4701 0.0000 0.0000 34337.2265 -149281.0054 299.8755 -183618.2319 -149185.7721 299.1163 49.9746 81.8799 557064.4156 -0.1649 -0.1920 PRESSURE: 3718000 4.03101 -45.4997 -142.637 -45.4999 -137.221 -106.067 -142.637 -106.066 -188.864 GPRESSURE: 3718000 -27.084 22.2437 -164.073 3.51179 -81.2824 -137.712 -61.5195 -98.2401 -120.117 PRESSAVG: 3718000 -32.2793 68.8502 28.7878 68.8502 -29.1737 30.9208 28.7879 30.9208 69.6923 GPRESSAVG: 3718000 -31.8848 68.0756 30.2566 70.596 -31.0195 32.0251 28.5685 29.8693 71.1874 TIMING: 3718000 CPU: 10802.3, 0.00295559/step Wall: 10802.3, 0.00295559/step, 1.05252 hours remaining, 208.460938 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: 3718000 731.6567 2084.5501 1981.3043 107.5890 -206073.2541 17735.0869 0.0000 0.0000 34065.3175 -149367.7495 297.5009 -183433.0671 -149266.4128 298.5923 -107.3513 -76.1611 560202.7204 2.7464 2.7610 PRESSURE: 3718200 44.1528 133.536 109.339 133.534 -250.538 174.712 109.339 174.71 -174.898 GPRESSURE: 3718200 32.0253 193.691 114.586 38.8847 -167.538 145.806 108.58 132.662 -162.27 PRESSAVG: 3718200 49.0544 24.0327 -3.30131 24.0327 -24.1019 3.55044 -3.30129 3.55039 -25.3635 GPRESSAVG: 3718200 48.7363 21.2371 -3.77575 24.7974 -22.039 1.46278 -2.50592 3.19342 -27.7266 TIMING: 3718200 CPU: 10802.9, 0.00296161/step Wall: 10802.9, 0.00296161/step, 1.0545 hours remaining, 208.460938 MB of memory in use. ENERGY: 3718200 769.1699 2112.6055 1968.5824 105.6105 -205928.7753 17572.1447 0.0000 0.0000 34188.7439 -149211.9184 298.5788 -183400.6623 -149113.4215 298.5728 -127.0943 -99.2608 559024.4715 -0.1370 -0.3431 PRESSURE: 3718400 -149.239 16.1781 54.0242 16.1785 -154.03 -79.34 54.0248 -79.3416 -250.853 GPRESSURE: 3718400 -107.343 13.57 27.275 60.5309 -117.317 -63.0426 81.1275 -82.227 -232.935 PRESSAVG: 3718400 53.2121 28.1107 76.9685 28.1108 -68.5423 19.0624 76.9686 19.0625 50.0363 GPRESSAVG: 3718400 53.9073 30.9068 76.6263 26.8463 -70.1537 19.1677 74.8648 20.5399 50.742 TIMING: 3718400 CPU: 10803.5, 0.00295797/step Wall: 10803.5, 0.00295797/step, 1.05304 hours remaining, 208.460938 MB of memory in use. ENERGY: 3718400 790.0055 2121.8286 1961.8391 116.2902 -206260.2985 17869.6790 0.0000 0.0000 34162.6031 -149238.0531 298.3505 -183400.6562 -149147.5370 299.6082 -184.7074 -152.5319 559324.2155 11.5687 11.4985 PRESSURE: 3718600 103.357 -134.13 -5.65862 -134.128 -104.879 -88.1453 -5.65865 -88.1459 -77.124 GPRESSURE: 3718600 83.4563 -133.219 35.1036 -64.5403 -96.3235 -16.1886 -116.532 -147.886 24.3486 PRESSAVG: 3718600 40.0998 25.7605 -31.293 25.7605 -72.5536 4.48726 -31.293 4.48728 18.7099 GPRESSAVG: 3718600 40.1357 24.4275 -29.8186 24.8979 -72.4962 6.46791 -31.6153 3.20688 18.6644 TIMING: 3718600 CPU: 10804.1, 0.00294255/step Wall: 10804.1, 0.00294255/step, 1.04739 hours remaining, 208.460938 MB of memory in use. ENERGY: 3718600 759.1695 2080.0230 1958.7931 118.8516 -206020.3442 17786.4326 0.0000 0.0000 34148.7604 -149168.3140 298.2296 -183317.0744 -149074.2537 298.7356 -26.2153 3.8271 557422.5664 -4.5813 -4.5654 PRESSURE: 3718800 -127.626 79.428 -4.92517 79.4273 113.455 -142.388 -4.92554 -142.386 -121.303 GPRESSURE: 3718800 -72.3551 39.7739 -0.631744 16.8406 175.186 -206.074 -3.0931 -114.39 -147.61 PRESSAVG: 3718800 -17.2504 5.62364 12.395 5.62354 22.2585 -81.2355 12.395 -81.2354 34.4357 GPRESSAVG: 3718800 -17.4984 6.81812 10.3279 6.08062 22.7838 -82.9469 15.3813 -80.1641 33.9582 TIMING: 3718800 CPU: 10804.7, 0.00291525/step Wall: 10804.7, 0.00291525/step, 1.03751 hours remaining, 208.460938 MB of memory in use. ENERGY: 3718800 700.1934 2103.8171 1963.7342 124.9891 -206015.5679 17778.6484 0.0000 0.0000 34342.4673 -149001.7184 299.9213 -183344.1857 -148900.5317 299.8819 -45.1579 -14.9262 560531.4325 13.1480 13.0812 PRESSURE: 3719000 -156.441 56.4902 -127.618 56.4894 208.363 29.6543 -127.617 29.654 53.3581 GPRESSURE: 3719000 -152.688 97.1879 -129.403 11.2498 233.629 96.1057 -156.699 24.3886 123.716 PRESSAVG: 3719000 -45.8498 35.0121 24.1115 35.0122 6.96069 8.3558 24.1113 8.35585 49.3932 GPRESSAVG: 3719000 -46.4456 33.8211 25.0075 37.93 6.28915 8.85123 22.5418 8.08405 50.5658 TIMING: 3719000 CPU: 10805.3, 0.00291951/step Wall: 10805.3, 0.00291951/step, 1.03886 hours remaining, 208.460938 MB of memory in use. ENERGY: 3719000 716.4465 2066.6955 1979.2495 111.3697 -205912.6542 17672.1619 0.0000 0.0000 34310.7005 -149056.0305 299.6439 -183366.7311 -148948.1560 299.7286 35.0933 68.2193 556086.3077 3.5013 3.4698 PRESSURE: 3719200 216.301 113.041 175.023 113.042 -98.3288 -63.052 175.023 -63.0535 -16.0921 GPRESSURE: 3719200 211.524 129.129 206.875 73.2839 -13.5225 -90.2062 122.098 -9.63828 1.79462 PRESSAVG: 3719200 68.1971 13.7216 -27.8505 13.7215 -36.229 -26.9395 -27.8505 -26.9395 -26.3316 GPRESSAVG: 3719200 68.7256 16.0858 -28.5533 11.0361 -35.4297 -27.5659 -27.6971 -25.2191 -27.0879 TIMING: 3719200 CPU: 10805.9, 0.00292162/step Wall: 10805.9, 0.00292162/step, 1.03945 hours remaining, 208.460938 MB of memory in use. ENERGY: 3719200 747.1882 2036.3988 1967.5476 113.1675 -206176.3729 18059.1415 0.0000 0.0000 34263.2628 -148989.6665 299.2296 -183252.9293 -148888.0036 299.5786 33.9601 66.5988 557473.6288 1.8788 2.0693 PRESSURE: 3719400 -87.3044 -8.92265 23.6821 -8.92216 -316.529 -116.642 23.6816 -116.643 -65.4309 GPRESSURE: 3719400 -44.8041 -4.3034 8.18546 86.4973 -259.418 -87.3634 -1.12715 -139.852 -64.5987 PRESSAVG: 3719400 -20.9117 51.4956 30.4975 51.4956 82.1627 -59.6783 30.4976 -59.6784 -5.61 GPRESSAVG: 3719400 -21.2695 51.2515 31.6671 52.433 81.2696 -61.2465 30.442 -59.9261 -4.24308 TIMING: 3719400 CPU: 10806.5, 0.00291841/step Wall: 10806.5, 0.00291841/step, 1.03814 hours remaining, 208.460938 MB of memory in use. ENERGY: 3719400 726.0508 2100.8375 1946.5159 118.6860 -205749.3636 17471.4720 0.0000 0.0000 34503.3940 -148882.4075 301.3267 -183385.8015 -148779.6192 299.8467 -156.4216 -122.9403 558328.1225 18.5470 18.5857 PRESSURE: 3719600 100.41 -155.241 0.852753 -155.24 169.509 89.9121 0.85254 89.9113 20.1969 GPRESSURE: 3719600 119.952 -214.018 3.46353 -18.7254 154.688 57.7325 -1.77401 133.491 114.161 PRESSAVG: 3719600 -39.7827 -13.3023 -43.3127 -13.3023 52.4009 -36.2377 -43.3126 -36.2377 -11.1204 GPRESSAVG: 3719600 -39.967 -14.3752 -44.5195 -11.5664 54.0331 -33.7299 -42.2956 -38.5633 -12.1541 TIMING: 3719600 CPU: 10807, 0.00291469/step Wall: 10807, 0.00291469/step, 1.03666 hours remaining, 208.460938 MB of memory in use. ENERGY: 3719600 749.4503 2087.8841 1971.7911 106.6938 -206158.0063 18061.1233 0.0000 0.0000 34247.1443 -148933.9194 299.0888 -183181.0637 -148837.9984 299.3308 96.7055 129.6003 558893.3520 0.4993 0.6373 PRESSURE: 3719800 -97.9902 3.43069 98.958 3.43205 -163.777 -5.39238 98.9566 -5.39268 -86.9231 GPRESSURE: 3719800 -70.9837 -18.0901 123.549 -62.4575 -125.358 -29.8593 59.8678 46.5488 -51.9935 PRESSAVG: 3719800 4.37225 -38.5271 -37.8359 -38.5271 -30.8849 13.3315 -37.8359 13.3314 30.1505 GPRESSAVG: 3719800 3.66524 -36.7909 -38.7897 -41.2445 -31.9495 10.8297 -38.0056 14.4733 32.1998 TIMING: 3719800 CPU: 10807.6, 0.00291154/step Wall: 10807.6, 0.00291154/step, 1.03537 hours remaining, 208.460938 MB of memory in use. ENERGY: 3719800 751.5806 2083.0616 1951.0937 121.3197 -205676.7224 17651.2901 0.0000 0.0000 34264.5463 -148853.8304 299.2408 -183118.3767 -148759.3184 300.2284 -116.2301 -82.7785 560180.0052 1.2126 1.3052 PRESSURE: 3720000 -234.825 41.3151 109.584 41.3161 78.7644 -48.4223 109.584 -48.4233 170.737 GPRESSURE: 3720000 -194.944 -21.9736 91.1567 88.5072 145.772 -26.4358 85.2692 -104.522 155.122 PRESSAVG: 3720000 -18.8952 -52.3403 -11.1688 -52.3402 -30.6303 -17.4024 -11.1688 -17.4023 51.1974 GPRESSAVG: 3720000 -17.1547 -53.4275 -10.4871 -51.1769 -31.4816 -15.2277 -11.9941 -17.5496 50.5678 TIMING: 3720000 CPU: 10808.2, 0.00292111/step Wall: 10808.2, 0.00292111/step, 1.03862 hours remaining, 208.460938 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: 3720000 751.0527 2135.0112 1926.7355 107.5641 -205892.7188 17748.6438 0.0000 0.0000 34320.0906 -148903.6209 299.7259 -183223.7114 -148801.9115 300.4629 4.8922 35.3167 557387.6869 0.5573 0.6438 PRESSURE: 3720200 -245.08 -14.3749 -144.032 -14.3758 -71.2617 8.15791 -144.031 8.15755 204.76 GPRESSURE: 3720200 -142.75 -30.7632 -80.6336 43.321 -91.5253 -34.243 -184.059 9.82502 226.933 PRESSAVG: 3720200 -27.2231 7.64463 1.44054 7.64462 -5.97356 -2.50108 1.4407 -2.50103 16.5342 GPRESSAVG: 3720200 -27.3559 7.26816 3.68516 7.03168 -5.47638 -2.55308 -1.45751 -3.52948 16.3688 TIMING: 3720200 CPU: 10808.8, 0.00292082/step Wall: 10808.8, 0.00292082/step, 1.03835 hours remaining, 208.460938 MB of memory in use. ENERGY: 3720200 775.7217 2154.2355 1944.1360 111.1895 -206031.2321 17829.3436 0.0000 0.0000 34337.9339 -148878.6719 299.8817 -183216.6058 -148788.2558 299.9222 -37.1941 -2.4476 558451.2109 -5.5541 -5.4878 LDB: ============= START OF LOAD BALANCING ============== 10812.3 LDB: ============== END OF LOAD BALANCING =============== 10812.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10812.3 LDB: ============= START OF LOAD BALANCING ============== 10812.6 LDB: Largest compute 4820 load 0.033539 is 28.5% of average load 0.117802 LDB: Average compute 0.001729 is 1.5% of average load 0.117802 LDB: TIME 10812.6 LOAD: AVG 0.117802 MAX 0.188775 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 10812.6 LOAD: AVG 0.117802 MAX 0.188775 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 10812.6 LOAD: AVG 0.117802 MAX 0.188775 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: ============== END OF LOAD BALANCING =============== 10812.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10812.6 PRESSURE: 3720400 -79.8136 39.2751 -60.3315 39.2756 -82.8964 -49.1407 -60.3322 -49.1418 -161.841 GPRESSURE: 3720400 -69.9065 3.11803 -75.0123 22.1376 -39.2596 32.8845 -28.8586 -88.9416 -127.59 PRESSAVG: 3720400 -59.8919 3.17377 26.1766 3.17377 15.9348 34.2187 26.1766 34.2187 29.2796 GPRESSAVG: 3720400 -60.3486 5.04703 23.062 3.2815 17.0477 34.209 30.9194 35.6513 28.2142 TIMING: 3720400 CPU: 10809.4, 0.0029903/step Wall: 10809.4, 0.0029903/step, 1.06289 hours remaining, 208.644531 MB of memory in use. ENERGY: 3720400 745.7837 2074.5024 1978.5311 111.4436 -206099.3534 17770.7258 0.0000 0.0000 34511.1302 -148907.2366 301.3943 -183418.3668 -148805.2385 300.3851 -108.1835 -78.9188 558013.1912 -4.8925 -5.0289 PRESSURE: 3720600 -108.695 -40.199 95.5093 -40.1999 -78.7924 57.0652 95.5097 57.0656 -323.351 GPRESSURE: 3720600 -75.7552 -94.0659 177.671 -13.7133 -30.9679 96.5431 -12.5671 25.5838 -327.79 PRESSAVG: 3720600 -44.9739 9.76253 67.4953 9.76252 15.0168 -47.2212 67.4954 -47.2213 69.9525 GPRESSAVG: 3720600 -44.2016 8.24833 69.5507 9.5126 13.22 -47.9417 66.6663 -45.6425 71.0449 TIMING: 3720600 CPU: 10810, 0.00291803/step Wall: 10810, 0.00291803/step, 1.03704 hours remaining, 208.714844 MB of memory in use. ENERGY: 3720600 766.2018 2149.9573 1947.0136 111.0763 -206036.8282 17709.3282 0.0000 0.0000 34425.8920 -148927.3591 300.6499 -183353.2510 -148832.5062 300.2955 -170.2796 -144.8377 558539.4130 13.3318 13.3544 PRESSURE: 3720800 -136.234 31.3957 -11.6459 31.3965 89.8324 69.5125 -11.6451 69.5139 -57.3676 GPRESSURE: 3720800 -123.376 -44.7438 -91.7626 34.3019 98.4467 100.748 9.20351 -1.76119 21.293 PRESSAVG: 3720800 -2.99475 -11.846 47.4354 -11.846 24.2941 -14.1307 47.4354 -14.1307 -46.1565 GPRESSAVG: 3720800 -3.06782 -12.3023 47.6459 -11.0648 25.2608 -13.1182 47.6526 -18.5046 -46.8923 TIMING: 3720800 CPU: 10810.6, 0.00290221/step Wall: 10810.6, 0.00290221/step, 1.03125 hours remaining, 208.714844 MB of memory in use. ENERGY: 3720800 759.0700 2104.4371 1923.6367 98.1378 -206092.2696 17671.8361 0.0000 0.0000 34594.2169 -148940.9351 302.1199 -183535.1520 -148848.1401 300.3780 -34.5898 -1.2121 559108.8197 -8.2857 -8.2331 PRESSURE: 3721000 -121.759 -20.8094 -12.8176 -20.8095 59.9903 -24.0497 -12.818 -24.0488 -254.68 GPRESSURE: 3721000 -86.6747 -15.4264 9.39789 -101.048 46.6296 7.82413 -26.0197 -83.2744 -178.52 PRESSAVG: 3721000 -31.0983 -28.5983 57.6576 -28.5983 -11.1091 -11.6165 57.6576 -11.6164 8.86596 GPRESSAVG: 3721000 -32.1444 -27.2149 57.6151 -29.1297 -11.0987 -13.6298 56.9091 -8.48339 10.6814 TIMING: 3721000 CPU: 10811.1, 0.00292337/step Wall: 10811.1, 0.00292337/step, 1.03861 hours remaining, 208.714844 MB of memory in use. ENERGY: 3721000 719.0286 2108.2603 1916.6937 118.6432 -205650.5409 17530.7935 0.0000 0.0000 34385.2861 -148871.8354 300.2953 -183257.1215 -148771.3616 300.4193 -105.4831 -72.8549 558916.2742 -11.1138 -10.8539 PRESSURE: 3721200 7.62709 -40.8668 -174.604 -40.8672 68.1047 30.178 -174.604 30.1774 86.2642 GPRESSURE: 3721200 36.1027 -53.8488 -148.653 -18.4473 106.649 -4.4414 -129.866 117.583 123.564 PRESSAVG: 3721200 -26.8448 -35.9601 7.85675 -35.9601 71.982 8.67627 7.85656 8.6762 -39.2743 GPRESSAVG: 3721200 -25.5196 -34.8724 7.2357 -38.3141 70.7178 9.03329 9.12854 7.18187 -39.4619 TIMING: 3721200 CPU: 10811.7, 0.00289705/step Wall: 10811.7, 0.00289705/step, 1.0291 hours remaining, 208.714844 MB of memory in use. ENERGY: 3721200 739.8298 2126.6496 1946.2360 105.6119 -206352.4550 17975.1144 0.0000 0.0000 34410.0150 -149048.9984 300.5112 -183459.0134 -148955.1728 299.8198 53.9986 88.7719 557935.7494 1.9543 1.9121 PRESSURE: 3721400 21.0554 -43.439 7.15584 -43.4398 49.013 -45.002 7.15629 -45.0018 -92.2215 GPRESSURE: 3721400 94.9817 -89.6589 19.9547 -32.4863 64.2055 49.1175 79.8766 -133.513 -78.0714 PRESSAVG: 3721400 26.3587 -40.4587 46.8816 -40.4585 29.9982 38.6894 46.8815 38.6894 -40.2122 GPRESSAVG: 3721400 26.8186 -41.0043 46.5664 -39.8794 30.7612 40.3278 46.4164 38.7977 -41.2262 TIMING: 3721400 CPU: 10812.3, 0.00289061/step Wall: 10812.3, 0.00289061/step, 1.02665 hours remaining, 208.859375 MB of memory in use. ENERGY: 3721400 751.4254 2078.0496 1927.9333 119.4234 -206013.2950 17743.9037 0.0000 0.0000 34079.0179 -149313.5416 297.6205 -183392.5595 -149223.9395 298.9708 -7.3844 27.0386 557480.2497 5.3816 5.4512 PRESSURE: 3721600 -57.1498 -25.022 -8.87068 -25.0224 -149.414 -152.749 -8.87065 -152.749 -61.2716 GPRESSURE: 3721600 -102.226 -1.55038 -71.6337 -34.7158 -82.9969 -205.397 9.87078 -110.39 14.8527 PRESSAVG: 3721600 21.4874 32.4765 13.6122 32.4765 10.6321 -39.3001 13.6122 -39.3001 -4.15616 GPRESSAVG: 3721600 20.7784 32.5532 15.2064 34.3603 11.3529 -42.3281 13.0747 -39.0284 -4.24852 TIMING: 3721600 CPU: 10812.9, 0.00292412/step Wall: 10812.9, 0.00292412/step, 1.03839 hours remaining, 208.859375 MB of memory in use. ENERGY: 3721600 768.3846 2107.1340 1931.9378 124.5588 -206126.7584 17676.6095 0.0000 0.0000 34423.9278 -149094.2059 300.6327 -183518.1337 -149000.6442 298.7782 -89.2785 -56.7902 557460.0624 9.3211 9.2942 PRESSURE: 3721800 -92.7092 103.817 1.38936 103.816 -32.8141 35.9846 1.38893 35.9849 -209.575 GPRESSURE: 3721800 -71.8133 102.07 18.1324 202.722 -40.6205 28.9588 92.4302 97.6697 -122.868 PRESSAVG: 3721800 37.6668 48.7529 -4.81398 48.7528 20.7725 -11.3471 -4.81404 -11.3471 -37.3605 GPRESSAVG: 3721800 37.7847 47.1688 -6.74538 49.6053 19.3749 -11.3965 -4.62454 -10.7587 -36.4641 TIMING: 3721800 CPU: 10813.5, 0.00291815/step Wall: 10813.5, 0.00291815/step, 1.0361 hours remaining, 208.859375 MB of memory in use. ENERGY: 3721800 742.9316 2176.8652 1947.6630 117.3684 -205807.5728 17528.3486 0.0000 0.0000 34159.2435 -149135.1525 298.3212 -183294.3961 -149042.6215 299.0901 -111.6994 -78.4338 557844.8924 7.0263 6.8985 PRESSURE: 3722000 -73.8291 84.2584 -60.0273 84.2585 -78.8631 40.6222 -60.0271 40.6221 36.9527 GPRESSURE: 3722000 -84.1702 -21.1922 -31.4818 209.116 15.5919 44.4686 -96.5206 26.1074 34.1636 PRESSAVG: 3722000 18.4698 23.7248 -39.3432 23.725 -58.6372 2.37323 -39.3432 2.37328 35.6897 GPRESSAVG: 3722000 17.8746 24.9064 -38.8913 23.7837 -57.5481 5.50818 -38.2705 -0.053503 35.1682 TIMING: 3722000 CPU: 10814, 0.00292047/step Wall: 10814, 0.00292047/step, 1.03677 hours remaining, 208.859375 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: 3722000 772.0955 2118.6921 1954.4793 113.1071 -205813.1429 17583.4950 0.0000 0.0000 34162.7329 -149108.5410 298.3516 -183271.2739 -149017.2540 299.6444 -38.5799 -11.4716 556924.0873 -1.4926 -1.5018 PRESSURE: 3722200 -218.016 51.9404 8.89623 51.9404 68.2455 26.064 8.89685 26.0613 -180.249 GPRESSURE: 3722200 -203.186 114.649 -44.4564 54.9678 132.76 64.577 21.2956 16.7346 -159.418 PRESSAVG: 3722200 12.5897 37.6477 -1.02193 37.6478 50.137 30.5849 -1.0219 30.585 -4.56254 GPRESSAVG: 3722200 13.2246 36.6364 0.159665 36.7001 48.4664 30.5828 -3.00869 31.8393 -3.95665 TIMING: 3722200 CPU: 10814.6, 0.00293091/step Wall: 10814.6, 0.00293091/step, 1.04031 hours remaining, 208.859375 MB of memory in use. ENERGY: 3722200 735.9345 2080.2848 1946.9063 111.2540 -205871.2505 17623.1589 0.0000 0.0000 34209.4898 -149164.2221 298.7600 -183373.7120 -149066.5974 299.0519 -110.0065 -76.6147 557608.6724 19.3880 19.2448 PRESSURE: 3722400 -130.754 7.19242 -103.757 7.19365 -217.921 47.8219 -103.755 47.8217 28.4604 GPRESSURE: 3722400 -87.5508 51.5803 -152.304 -28.4722 -162.215 -9.171 -77.5431 57.6325 19.2439 PRESSAVG: 3722400 -100.862 40.7755 10.5403 40.7755 33.8032 5.30125 10.5404 5.30124 87.7738 GPRESSAVG: 3722400 -102.073 42.3761 10.8938 41.8004 34.5039 4.5244 10.1459 5.70837 87.8709 TIMING: 3722400 CPU: 10815.2, 0.0029264/step Wall: 10815.2, 0.0029264/step, 1.03855 hours remaining, 208.859375 MB of memory in use. ENERGY: 3722400 790.2902 2059.6370 1924.7340 102.4537 -206017.7587 17738.4885 0.0000 0.0000 34198.0018 -149204.1535 298.6597 -183402.1553 -149101.5066 299.6978 -106.7384 -76.8406 557744.6178 6.9050 6.7674 PRESSURE: 3722600 -334.709 33.7203 -36.1472 33.7201 68.9315 182.324 -36.1476 182.324 142.329 GPRESSURE: 3722600 -302.66 58.2638 -46.7187 31.7329 132.272 203.468 -12.6289 214.339 135.648 PRESSAVG: 3722600 -18.4689 9.87226 -38.402 9.87224 -3.45859 34.7994 -38.4019 34.7995 18.4204 GPRESSAVG: 3722600 -17.8323 8.27237 -38.2737 9.17937 -3.64517 33.8404 -37.6089 35.8575 17.332 TIMING: 3722600 CPU: 10815.8, 0.00297794/step Wall: 10815.8, 0.00297794/step, 1.05667 hours remaining, 208.859375 MB of memory in use. ENERGY: 3722600 772.3396 2090.8625 1939.7052 104.0493 -206135.7135 17782.6095 0.0000 0.0000 34236.6751 -149209.4723 298.9974 -183446.1474 -149116.3417 299.3058 -41.1496 -11.5798 556116.2730 -1.1690 -1.3818 PRESSURE: 3722800 -225.28 -68.5862 38.5285 -68.5873 -76.5853 91.7159 38.5275 91.7168 -344.361 GPRESSURE: 3722800 -189.181 -84.3001 23.0113 -53.802 -64.9876 104.239 35.6546 74.0146 -293.734 PRESSAVG: 3722800 -19.6943 38.5815 21.2058 38.5814 -6.21277 -64.0557 21.2057 -64.0557 -14.7514 GPRESSAVG: 3722800 -18.8294 38.3256 22.7815 38.9901 -7.31983 -63.4746 19.4308 -63.2464 -14.3653 TIMING: 3722800 CPU: 10816.4, 0.00291719/step Wall: 10816.4, 0.00291719/step, 1.03495 hours remaining, 208.859375 MB of memory in use. ENERGY: 3722800 735.8825 2032.4628 1954.2345 107.3437 -205853.6007 17536.6081 0.0000 0.0000 34198.2389 -149288.8302 298.6617 -183487.0691 -149187.8717 298.8005 -215.4086 -182.6343 556955.0387 -13.5528 -13.5049 PRESSURE: 3723000 425.07 27.6267 63.4804 27.627 19.3086 85.7747 63.4803 85.7739 187.699 GPRESSURE: 3723000 495.595 4.82627 13.5083 24.9677 -5.74967 126.516 53.4134 100.012 247.853 PRESSAVG: 3723000 51.0274 20.4882 28.8509 20.4882 -18.5917 -36.6347 28.8509 -36.6347 18.9881 GPRESSAVG: 3723000 50.3734 20.6414 28.408 20.3483 -17.6905 -37.1071 28.7631 -38.0774 18.5988 TIMING: 3723000 CPU: 10817, 0.00292102/step Wall: 10817, 0.00292102/step, 1.03615 hours remaining, 208.859375 MB of memory in use. ENERGY: 3723000 744.2868 2101.2581 1940.9124 112.2364 -206780.9811 18092.8566 0.0000 0.0000 34586.4420 -149202.9888 302.0520 -183789.4308 -149102.9299 299.9086 210.6924 245.8995 555403.0740 17.1413 17.0939 PRESSURE: 3723200 2.94406 249.695 -16.0515 249.695 -31.4461 -151.552 -16.0512 -151.554 -248.796 GPRESSURE: 3723200 81.3216 220.012 91.0124 289.817 -51.0067 -170.806 21.8523 -121.485 -211.239 PRESSAVG: 3723200 92.8779 25.7792 10.722 25.7791 -85.5574 12.5982 10.7221 12.598 14.6245 GPRESSAVG: 3723200 92.1217 25.1609 9.24223 25.3394 -85.8038 12.5657 12.3471 12.323 15.6845 TIMING: 3723200 CPU: 10817.6, 0.00289012/step Wall: 10817.6, 0.00289012/step, 1.02503 hours remaining, 208.859375 MB of memory in use. ENERGY: 3723200 748.6483 2122.0246 1937.4254 116.2090 -205962.8580 17657.7564 0.0000 0.0000 34137.6909 -149243.1036 298.1329 -183380.7945 -149146.1823 299.7361 -92.4328 -60.3082 558367.3144 7.3150 7.3341 PRESSURE: 3723400 -94.3287 -71.1685 -56.6957 -71.1683 -21.9265 35.8356 -56.695 35.8363 5.51918 GPRESSURE: 3723400 -123.827 -68.8786 -102.726 -80.6225 18.1956 -121.612 -113.131 104.45 86.1195 PRESSAVG: 3723400 5.9326 70.356 -77.9187 70.356 13.3336 -40.7419 -77.9187 -40.742 -19.7119 GPRESSAVG: 3723400 6.16783 71.3692 -77.8699 69.9822 15.2902 -38.5249 -79.1679 -41.5575 -22.1173 TIMING: 3723400 CPU: 10818.1, 0.0029204/step Wall: 10818.1, 0.0029204/step, 1.03561 hours remaining, 208.859375 MB of memory in use. ENERGY: 3723400 742.5521 2191.8966 1954.7368 122.2318 -205783.2043 17554.9130 0.0000 0.0000 34105.7480 -149111.1259 297.8540 -183216.8739 -149017.5200 299.6533 -36.9120 -6.5041 557920.1806 -0.1486 -0.2198 PRESSURE: 3723600 38.0032 70.4455 -27.4666 70.4459 -20.3397 -32.5179 -27.4659 -32.52 -179.06 GPRESSURE: 3723600 51.9159 32.9766 18.0816 50.5028 10.9911 75.3932 35.8776 -82.1319 -128.231 PRESSAVG: 3723600 -3.37679 19.6211 38.0568 19.6211 -32.6484 -11.2959 38.0568 -11.2959 -35.1102 GPRESSAVG: 3723600 -3.21822 18.1171 37.2904 21.7725 -34.0292 -10.8109 38.238 -11.8339 -33.3006 TIMING: 3723600 CPU: 10818.7, 0.00290548/step Wall: 10818.7, 0.00290548/step, 1.03015 hours remaining, 208.859375 MB of memory in use. ENERGY: 3723600 724.9510 2142.4104 1941.4243 102.9805 -205904.2336 17544.7152 0.0000 0.0000 34380.0611 -149067.6910 300.2496 -183447.7521 -148972.5375 299.7297 -53.7988 -21.7748 558008.1058 -23.7118 -23.5160 PRESSURE: 3723800 -145.517 -212.795 89.4774 -212.795 411.558 7.45818 89.4777 7.45904 34.9641 GPRESSURE: 3723800 -71.3642 -266.417 -3.42888 -157.803 376.644 23.8173 112.578 -88.795 98.9841 PRESSAVG: 3723800 57.0315 -13.9654 10.5937 -13.9654 11.6658 -34.1675 10.5937 -34.1675 -14.7044 GPRESSAVG: 3723800 57.5313 -12.2796 11.7319 -14.7696 12.8353 -34.6958 11.6966 -33.7706 -15.6041 TIMING: 3723800 CPU: 10819.3, 0.00289882/step Wall: 10819.3, 0.00289882/step, 1.02763 hours remaining, 208.859375 MB of memory in use. ENERGY: 3723800 710.5104 2113.0415 1946.8058 116.9856 -206124.3635 17744.3514 0.0000 0.0000 34572.9481 -148919.7207 301.9342 -183492.6687 -148827.0126 299.7385 100.3350 134.7546 556687.2683 17.9976 18.2542 PRESSURE: 3724000 59.972 -113.009 100.449 -113.008 -197.009 -147.479 100.449 -147.479 -9.59143 GPRESSURE: 3724000 136.577 -170.505 56.0774 -68.0553 -148.086 -96.5304 113.573 -133.941 -27.8467 PRESSAVG: 3724000 49.3188 -76.8888 30.4095 -76.8888 -18.9731 -14.9 30.4096 -14.9 -52.3158 GPRESSAVG: 3724000 49.362 -77.7273 27.8172 -76.3134 -19.619 -13.6267 28.8102 -16.1275 -51.5215 TIMING: 3724000 CPU: 10819.9, 0.00287945/step Wall: 10819.9, 0.00287945/step, 1.0206 hours remaining, 208.859375 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: 3724000 766.2556 2085.9913 1914.2264 113.3742 -205871.2547 17627.3650 0.0000 0.0000 34429.0087 -148935.0335 300.6771 -183364.0422 -148836.6244 299.5824 -48.8763 -13.1188 557189.4376 -7.3234 -7.2595 PRESSURE: 3724200 172.063 72.4669 -31.601 72.4666 7.84392 -71.8382 -31.6007 -71.8387 54.2808 GPRESSURE: 3724200 180.779 67.4596 -115.636 -17.4399 102.371 -153.151 -14.9992 -19.7231 44.7811 PRESSAVG: 3724200 36.7148 21.8075 -41.1227 21.8075 0.0424654 24.1509 -41.1227 24.1509 -59.2701 GPRESSAVG: 3724200 36.7245 23.0908 -40.3538 20.8505 1.06315 20.5048 -40.4983 26.2645 -60.437 TIMING: 3724200 CPU: 10820.5, 0.00288605/step Wall: 10820.5, 0.00288605/step, 1.02278 hours remaining, 208.859375 MB of memory in use. ENERGY: 3724200 745.8223 2123.8303 1949.9476 115.3778 -206034.6305 17783.9044 0.0000 0.0000 34456.8750 -148858.8731 300.9205 -183315.7480 -148770.9876 300.9520 78.0627 109.3105 557625.5290 -7.5043 -7.5498 LDB: ============= START OF LOAD BALANCING ============== 10823.9 LDB: ============== END OF LOAD BALANCING =============== 10823.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10823.9 LDB: ============= START OF LOAD BALANCING ============== 10824.2 LDB: Largest compute 4820 load 0.032119 is 27.2% of average load 0.117870 LDB: Average compute 0.001727 is 1.5% of average load 0.117870 LDB: TIME 10824.2 LOAD: AVG 0.11787 MAX 0.183255 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 10824.2 LOAD: AVG 0.11787 MAX 0.183255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 10824.2 LOAD: AVG 0.11787 MAX 0.183255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: ============== END OF LOAD BALANCING =============== 10824.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10824.2 PRESSURE: 3724400 -39.7887 104.09 254.389 104.09 84.3719 26.6132 254.389 26.6129 239 GPRESSURE: 3724400 -52.2003 111.082 267.954 48.2676 123.516 157.678 300.115 -94.3952 308.937 PRESSAVG: 3724400 -27.5911 23.3877 -22.8512 23.3877 -1.99644 43.4223 -22.8512 43.4222 21.7255 GPRESSAVG: 3724400 -26.8582 23.1851 -23.1372 23.1251 -2.77977 43.2742 -19.7183 42.139 22.0322 TIMING: 3724400 CPU: 10821.1, 0.00299841/step Wall: 10821.1, 0.00299841/step, 1.06244 hours remaining, 205.929688 MB of memory in use. ENERGY: 3724400 763.8755 2084.0325 1947.4637 112.0283 -206084.2781 17920.9606 0.0000 0.0000 34361.5186 -148894.3989 300.0877 -183255.9175 -148799.1466 300.2806 94.5277 126.7506 557415.7409 -2.6207 -2.5352 PRESSURE: 3724600 -63.6717 -199.828 71.154 -199.826 88.8205 -44.9281 71.1541 -44.9265 -205.197 GPRESSURE: 3724600 -65.8165 -177.781 26.9543 -218.707 83.025 -33.4439 122.746 -22.7728 -107.909 PRESSAVG: 3724600 0.691029 46.0649 13.3322 46.0648 -48.8238 24.1235 13.3322 24.1235 71.4973 GPRESSAVG: 3724600 0.0855972 47.504 13.2432 47.476 -48.2084 24.5721 11.6548 26.2338 71.6483 TIMING: 3724600 CPU: 10821.6, 0.00296489/step Wall: 10821.6, 0.00296489/step, 1.0504 hours remaining, 205.929688 MB of memory in use. ENERGY: 3724600 752.3620 2108.3265 1938.0527 105.7184 -205880.9152 17597.4328 0.0000 0.0000 34384.1384 -148994.8844 300.2852 -183379.0229 -148897.1207 300.6539 -60.0160 -30.2336 558442.8031 7.7882 7.8418 PRESSURE: 3724800 27.4438 -10.1008 -234.475 -10.1009 -8.67979 22.747 -234.474 22.7492 -49.8948 GPRESSURE: 3724800 -45.3187 -5.53342 -166.139 25.4194 64.1047 82.6781 -242.276 51.8868 52.2825 PRESSAVG: 3724800 -7.74901 35.7163 35.1178 35.7163 12.5056 -14.7995 35.1177 -14.7996 17.2352 GPRESSAVG: 3724800 -8.76104 34.303 35.4223 33.6914 12.4108 -12.9476 34.593 -16.9347 17.5647 TIMING: 3724800 CPU: 10822.2, 0.00293545/step Wall: 10822.2, 0.00293545/step, 1.0398 hours remaining, 205.929688 MB of memory in use. ENERGY: 3724800 747.5243 2083.2736 1959.9200 122.5564 -206318.8068 17718.9245 0.0000 0.0000 34431.8912 -149254.7168 300.7023 -183686.6079 -149159.2749 299.9556 -10.3769 23.6895 556491.8690 7.3306 7.0715 PRESSURE: 3725000 -93.5578 -9.33372 244.208 -9.33408 -75.1294 -53.7399 244.208 -53.7404 -238.94 GPRESSURE: 3725000 -62.2518 -28.5835 242.49 55.3876 -94.463 40.8016 225.275 -121.492 -157.574 PRESSAVG: 3725000 62.691 4.70859 -0.0567651 4.70851 37.0518 10.9301 -0.0568287 10.9301 -81.2436 GPRESSAVG: 3725000 63.6926 4.17292 0.591774 6.54258 36.2184 11.3556 -0.105013 13.485 -81.4014 TIMING: 3725000 CPU: 10822.8, 0.00294721/step Wall: 10822.8, 0.00294721/step, 1.0438 hours remaining, 205.929688 MB of memory in use. ENERGY: 3725000 737.0686 2026.8465 1967.0469 121.7241 -206076.0852 17700.2025 0.0000 0.0000 34363.8676 -149159.3290 300.1082 -183523.1966 -149061.6208 299.4797 -135.8758 -104.7630 559671.1109 6.1664 6.1699 PRESSURE: 3725200 68.431 162.202 11.3241 162.202 -151.413 77.4769 11.3242 77.4768 80.107 GPRESSURE: 3725200 52.354 138.688 -53.8272 53.9868 -64.7976 56.7462 84.5595 108.644 109.676 PRESSAVG: 3725200 -38.5151 38.551 27.9513 38.551 67.6454 45.4362 27.9513 45.4361 -68.7291 GPRESSAVG: 3725200 -39.0866 39.2026 25.8614 37.7658 67.0174 43.976 28.676 43.4584 -67.9873 TIMING: 3725200 CPU: 10823.4, 0.00297104/step Wall: 10823.4, 0.00297104/step, 1.05208 hours remaining, 205.929688 MB of memory in use. ENERGY: 3725200 747.2908 2092.7396 1972.7937 105.7206 -206102.5482 17769.4559 0.0000 0.0000 34317.1024 -149097.4451 299.6998 -183414.5475 -149004.4146 299.9792 -0.9585 32.4107 558508.6462 -13.1996 -13.3522 PRESSURE: 3725400 -198.78 69.7833 54.3027 69.7843 -147.456 -54.3895 54.3036 -54.3904 -85.5334 GPRESSURE: 3725400 -232.902 69.8918 28.1142 16.3298 -90.4139 -109.068 54.2167 -17.362 -6.19196 PRESSAVG: 3725400 -3.76647 8.52283 55.6173 8.52286 -20.5969 -9.88649 55.6174 -9.8866 16.9279 GPRESSAVG: 3725400 -3.39642 9.56039 57.349 9.56272 -20.4049 -10.667 54.1496 -8.41838 16.8657 TIMING: 3725400 CPU: 10824, 0.00297669/step Wall: 10824, 0.00297669/step, 1.05391 hours remaining, 205.929688 MB of memory in use. ENERGY: 3725400 756.3014 2089.5780 1939.1089 113.0594 -205525.8333 17453.6469 0.0000 0.0000 34319.2432 -148854.8955 299.7185 -183174.1387 -148753.5262 299.5462 -143.9230 -109.8359 559582.4772 -2.4785 -2.3118 PRESSURE: 3725600 -123.915 17.9349 -118.468 17.9342 -192.249 -72.7824 -118.468 -72.7833 -130.451 GPRESSURE: 3725600 -87.7738 19.5349 -117.986 104.918 -167.687 -71.6418 -169.258 -138.647 -99.1137 PRESSAVG: 3725600 17.9684 -11.2496 -3.1984 -11.2496 -12.9852 -21.8132 -3.19835 -21.8131 -21.2455 GPRESSAVG: 3725600 18.393 -11.4955 0.411201 -11.8235 -12.597 -22.0881 -4.29926 -22.5908 -22.1505 TIMING: 3725600 CPU: 10824.6, 0.00297406/step Wall: 10824.6, 0.00297406/step, 1.05282 hours remaining, 205.929688 MB of memory in use. ENERGY: 3725600 728.5215 2087.4189 1974.5044 120.7010 -205513.7828 17426.2025 0.0000 0.0000 34334.1144 -148842.3201 299.8484 -183176.4345 -148743.3538 300.5157 -148.8716 -118.1913 557225.5655 -5.4208 -5.4515 PRESSURE: 3725800 37.8903 -3.31176 -119.089 -3.31192 -79.9934 54.7051 -119.089 54.7053 20.5333 GPRESSURE: 3725800 78.0013 2.49034 -97.4187 -20.5539 -81.3507 34.8447 -159.558 32.5771 75.5405 PRESSAVG: 3725800 31.6177 6.3116 -4.00191 6.31163 9.84153 -12.9841 -4.00192 -12.9841 -1.4588 GPRESSAVG: 3725800 31.5518 5.52238 -6.86913 5.94657 10.5745 -12.8912 -2.58935 -11.8546 -1.89139 TIMING: 3725800 CPU: 10825.2, 0.00294597/step Wall: 10825.2, 0.00294596/step, 1.04271 hours remaining, 206.132812 MB of memory in use. ENERGY: 3725800 714.7453 2096.7725 1964.7622 111.4977 -205459.6149 17496.9389 0.0000 0.0000 34158.1716 -148916.7267 298.3118 -183074.8983 -148821.7412 300.4908 -7.1900 24.0637 556217.8356 13.3335 13.4116 PRESSURE: 3726000 -171.413 212.336 200.309 212.336 11.0882 129.08 200.308 129.08 -111.032 GPRESSURE: 3726000 -122.563 162.872 141.395 132.11 65.522 112.921 229.969 128.232 -118.471 PRESSAVG: 3726000 -22.4114 12.8171 -20.3769 12.8171 57.5673 42.5801 -20.377 42.5799 -63.7163 GPRESSAVG: 3726000 -22.9036 13.2292 -19.2176 15.9232 56.4206 40.7459 -18.5512 44.2479 -62.4179 TIMING: 3726000 CPU: 10825.8, 0.0029361/step Wall: 10825.8, 0.0029361/step, 1.03905 hours remaining, 206.132812 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: 3726000 737.0516 2146.9265 1959.5941 108.8551 -205873.8360 17628.2511 0.0000 0.0000 34330.9025 -148962.2550 299.8203 -183293.1574 -148868.5422 300.0781 -90.4524 -58.5038 556239.2471 -9.5201 -9.6336 PRESSURE: 3726200 -70.6334 98.5511 55.5624 98.5507 -245.995 150.074 55.564 150.074 -33.7656 GPRESSURE: 3726200 -26.2452 98.3087 123.217 162.473 -201.038 94.2283 58.4324 154.434 -39.6362 PRESSAVG: 3726200 -11.8425 33.0053 40.3858 33.0053 37.9268 -8.55825 40.3858 -8.55823 -13.7747 GPRESSAVG: 3726200 -11.8619 32.9307 40.2125 31.4637 38.5026 -5.37347 40.6109 -10.4188 -14.1123 TIMING: 3726200 CPU: 10826.4, 0.00292972/step Wall: 10826.4, 0.00292972/step, 1.03663 hours remaining, 206.132812 MB of memory in use. ENERGY: 3726200 772.9032 2136.8282 1955.5992 113.4235 -206345.3281 17723.5876 0.0000 0.0000 34499.3648 -149143.6216 301.2915 -183642.9864 -149049.1581 300.3395 -116.7980 -88.9730 556575.4634 4.1032 4.1761 PRESSURE: 3726400 100.342 -71.5461 -155.692 -71.5469 253.257 -38.1525 -155.691 -38.1532 66.6838 GPRESSURE: 3726400 159.035 7.97213 -117.46 -139.741 251.759 -107.833 -98.7262 -25.2772 92.3275 PRESSAVG: 3726400 -4.55692 5.1662 12.367 5.16612 -25.0692 -5.29674 12.367 -5.29668 36.0635 GPRESSAVG: 3726400 -6.13857 5.00314 14.1957 4.90094 -24.62 -5.84201 9.39564 -4.51636 36.8001 TIMING: 3726400 CPU: 10827, 0.00293687/step Wall: 10827, 0.00293687/step, 1.039 hours remaining, 206.132812 MB of memory in use. ENERGY: 3726400 742.5550 2067.4021 1935.4596 127.8902 -206459.9092 18119.5514 0.0000 0.0000 34286.5858 -149180.4652 299.4333 -183467.0510 -149086.5158 299.8436 140.0943 167.7072 556938.8232 2.1458 2.0139 PRESSURE: 3726600 -64.4881 177.968 2.80768 177.967 27.0546 -28.3973 2.80826 -28.3975 -23.0501 GPRESSURE: 3726600 -20.7246 145.543 -40.2009 58.3526 56.4484 -21.2161 19.0394 -78.8293 4.89826 PRESSAVG: 3726600 57.9446 -19.2344 -3.35709 -19.2345 -104.681 16.4119 -3.35714 16.4118 43.7563 GPRESSAVG: 3726600 60.0886 -19.4228 -5.25523 -20.788 -105.406 16.8622 0.0490869 15.862 42.7652 TIMING: 3726600 CPU: 10827.5, 0.00295091/step Wall: 10827.5, 0.00295091/step, 1.0438 hours remaining, 206.132812 MB of memory in use. ENERGY: 3726600 785.3130 2073.5219 1941.7717 120.8992 -206218.5962 17917.6927 0.0000 0.0000 34040.5482 -149338.8495 297.2846 -183379.3977 -149245.9719 299.1393 -20.1612 13.5407 557991.5948 -0.9935 -0.8506 PRESSURE: 3726800 -274.315 40.4473 -21.1081 40.4476 -8.7769 -121.541 -21.1079 -121.541 -159.286 GPRESSURE: 3726800 -241.171 48.8709 16.2243 62.6005 33.2902 -139.427 -45.5613 -209.595 -130.237 PRESSAVG: 3726800 44.4515 -17.9863 0.793583 -17.9863 -5.66222 15.7825 0.793495 15.7825 -10.1071 GPRESSAVG: 3726800 43.751 -17.4375 1.0638 -16.9761 -6.16747 14.757 -0.531762 15.7169 -9.24763 TIMING: 3726800 CPU: 10828.1, 0.00292844/step Wall: 10828.1, 0.00292844/step, 1.03569 hours remaining, 206.132812 MB of memory in use. ENERGY: 3726800 732.9733 2140.6613 1957.5714 109.0683 -205877.0627 17358.2336 0.0000 0.0000 34388.3335 -149190.2213 300.3219 -183578.5548 -149100.3642 299.0373 -147.4592 -112.7059 557181.5413 9.5607 9.4453 PRESSURE: 3727000 -5.28816 11.7302 -107.381 11.73 -242.483 -53.7402 -107.381 -53.7401 231.334 GPRESSURE: 3727000 25.9745 -3.77107 -120.951 27.7258 -152.89 6.26594 -9.13111 -115.549 208.655 PRESSAVG: 3727000 -52.1861 15.1435 31.2609 15.1436 14.6013 -34.1155 31.2609 -34.1156 61.4586 GPRESSAVG: 3727000 -52.3972 15.2411 33.9122 15.5106 15.6934 -33.6708 29.4845 -36.3936 60.4911 TIMING: 3727000 CPU: 10828.7, 0.00294416/step Wall: 10828.7, 0.00294416/step, 1.04109 hours remaining, 206.132812 MB of memory in use. ENERGY: 3727000 707.6682 2147.3380 1945.1506 107.7578 -206066.8909 17832.5483 0.0000 0.0000 34206.4921 -149119.9360 298.7338 -183326.4281 -149023.5196 299.8343 -5.4791 27.2468 557541.5936 7.9579 7.9291 PRESSURE: 3727200 166.983 -48.4646 -100.507 -48.4642 -219.525 104.398 -100.507 104.397 252.473 GPRESSURE: 3727200 255.267 -25.3663 -42.478 39.035 -246.542 178.678 -169.737 122.415 285.261 PRESSAVG: 3727200 1.27328 -63.5075 37.3843 -63.5075 -31.8552 51.289 37.3842 51.2889 2.86755 GPRESSAVG: 3727200 1.3072 -62.5207 34.0282 -64.4651 -32.1246 50.6303 39.5402 52.3354 3.1215 TIMING: 3727200 CPU: 10829.3, 0.00295178/step Wall: 10829.3, 0.00295178/step, 1.04362 hours remaining, 206.132812 MB of memory in use. ENERGY: 3727200 753.1998 2054.5967 1967.9607 121.8963 -206238.8497 17948.0580 0.0000 0.0000 34254.7142 -149138.4239 299.1549 -183393.1382 -149036.5163 299.7381 66.6436 97.9951 557922.3316 -9.2381 -9.2320 PRESSURE: 3727400 -309.176 123.157 -56.7876 123.157 -29.8002 -175.799 -56.7882 -175.8 28.367 GPRESSURE: 3727400 -250.942 43.657 -133.746 155.062 -45.6272 -148.569 -52.9687 -151.016 67.3045 PRESSAVG: 3727400 -31.0868 10.4173 4.903 10.4172 13.6183 50.9 4.90302 50.8998 26.0506 GPRESSAVG: 3727400 -31.5117 8.04069 4.71701 10.657 12.4728 51.0204 3.83191 51.2918 26.9017 TIMING: 3727400 CPU: 10829.9, 0.00294343/step Wall: 10829.9, 0.00294343/step, 1.0405 hours remaining, 206.132812 MB of memory in use. ENERGY: 3727400 764.4496 2034.7494 1955.1798 106.2517 -205731.8456 17366.0761 0.0000 0.0000 34318.4188 -149186.7202 299.7113 -183505.1389 -149088.7183 299.8369 -103.5363 -76.4214 557323.4779 2.8607 2.6209 PRESSURE: 3727600 -72.3044 39.2993 131.802 39.3004 -20.7068 113.031 131.8 113.031 -179.153 GPRESSURE: 3727600 -65.7082 -43.9681 145.784 62.9668 -5.99018 121.404 140.456 72.9619 -107.846 PRESSAVG: 3727600 11.6696 -13.7098 24.7386 -13.7098 -9.10395 40.7703 24.7385 40.7703 6.48173 GPRESSAVG: 3727600 12.7036 -12.2641 26.6597 -13.3452 -8.53662 41.8095 24.5227 40.0163 5.0121 TIMING: 3727600 CPU: 10830.5, 0.00296138/step Wall: 10830.5, 0.00296138/step, 1.04668 hours remaining, 206.132812 MB of memory in use. ENERGY: 3727600 731.5501 2056.0294 1950.6602 99.6308 -206073.0208 17673.5236 0.0000 0.0000 34372.6512 -149188.9754 300.1849 -183561.6267 -149091.8518 298.9468 -90.7215 -59.8482 557135.3268 3.0158 3.0597 PRESSURE: 3727800 -68.1166 27.3581 8.69144 27.3584 -238.06 48.82 8.69136 48.8189 22.6662 GPRESSURE: 3727800 -86.2875 107.388 19.009 -49.9082 -176.569 65.2694 2.64703 42.6398 77.4807 PRESSAVG: 3727800 41.574 -8.2479 46.7294 -8.2479 -41.1932 -20.9427 46.7294 -20.9426 -2.1241 GPRESSAVG: 3727800 39.8414 -8.27677 44.7154 -7.00392 -39.7593 -23.5754 47.9978 -19.0366 -2.00293 TIMING: 3727800 CPU: 10831.1, 0.00293635/step Wall: 10831.1, 0.00293635/step, 1.03767 hours remaining, 206.132812 MB of memory in use. ENERGY: 3727800 766.5205 2079.3415 1968.1893 107.5332 -205827.6566 17624.5682 0.0000 0.0000 34257.0188 -149024.4850 299.1751 -183281.5038 -148935.2701 299.6912 -94.5035 -61.7919 557854.6667 -0.5811 -0.6403 PRESSURE: 3728000 -42.2825 -76.4851 94.4449 -76.4856 4.70532 -164.893 94.4457 -164.895 158.801 GPRESSURE: 3728000 -28.764 -35.4636 92.0622 26.4918 -9.70627 -145.928 120.543 -218.699 263.319 PRESSAVG: 3728000 68.3904 32.7983 74.9306 32.7984 23.1961 4.68482 74.9305 4.68489 -51.3769 GPRESSAVG: 3728000 68.5398 32.4082 76.1684 31.5302 22.5547 6.27901 75.1058 5.18566 -50.3923 TIMING: 3728000 CPU: 10831.7, 0.00294535/step Wall: 10831.7, 0.00294535/step, 1.04069 hours remaining, 206.132812 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: 3728000 747.8766 2085.1648 1944.3337 112.7332 -206020.7939 17848.0543 0.0000 0.0000 34281.1085 -149001.5227 299.3854 -183282.6312 -148909.9039 299.6046 40.4078 74.9495 558105.8633 13.4032 13.5674 PRESSURE: 3728200 -127.636 -12.7785 13.4066 -12.778 -107.675 199.153 13.4074 199.154 -28.3021 GPRESSURE: 3728200 -131.704 -31.4938 55.213 -56.82 -12.1968 154.79 57.9888 208.418 -15.2026 PRESSAVG: 3728200 -45.6901 -6.07502 -2.49244 -6.07503 32.6881 10.1728 -2.49249 10.1727 -38.42 GPRESSAVG: 3728200 -44.4963 -6.04577 -2.5398 -7.74614 32.9963 9.96027 -2.93097 8.69353 -39.8092 TIMING: 3728200 CPU: 10832.3, 0.00295002/step Wall: 10832.3, 0.00295002/step, 1.04218 hours remaining, 206.132812 MB of memory in use. ENERGY: 3728200 749.0648 2099.6996 1918.6672 116.9871 -205882.9645 17654.0165 0.0000 0.0000 34239.8517 -149104.6776 299.0251 -183344.5293 -148998.5494 299.1410 -87.8710 -53.0346 558074.6506 -17.1407 -17.1031 LDB: ============= START OF LOAD BALANCING ============== 10835.7 LDB: ============== END OF LOAD BALANCING =============== 10835.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10835.7 LDB: ============= START OF LOAD BALANCING ============== 10836 LDB: Largest compute 4820 load 0.030863 is 26.2% of average load 0.117784 LDB: Average compute 0.001726 is 1.5% of average load 0.117784 LDB: TIME 10836 LOAD: AVG 0.117784 MAX 0.186912 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 10836 LOAD: AVG 0.117784 MAX 0.186912 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 10836 LOAD: AVG 0.117784 MAX 0.186912 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: ============== END OF LOAD BALANCING =============== 10836 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10836 PRESSURE: 3728400 -161.373 110.964 103.871 110.965 -96.4046 195.844 103.872 195.846 79.7379 GPRESSURE: 3728400 -169.341 141.571 187.069 129.453 -83.7806 189.209 -2.76328 108.153 170.071 PRESSAVG: 3728400 26.085 -19.4538 2.49869 -19.4539 -32.35 10.2904 2.49866 10.2904 7.31366 GPRESSAVG: 3728400 25.1542 -17.3385 2.38263 -17.5951 -31.9795 9.7094 2.74685 11.1494 7.90808 TIMING: 3728400 CPU: 10832.9, 0.00299075/step Wall: 10832.9, 0.00299075/step, 1.0564 hours remaining, 207.984375 MB of memory in use. ENERGY: 3728400 749.6346 2075.5058 1945.3257 94.6467 -205773.4420 17689.6761 0.0000 0.0000 34101.2995 -149117.3535 297.8151 -183218.6530 -149024.6717 299.0966 -59.3466 -27.6834 557612.6552 0.3496 0.3609 PRESSURE: 3728600 -24.3376 -72.8741 30.5995 -72.8738 -223.626 -135.041 30.5973 -135.041 -337.921 GPRESSURE: 3728600 5.13827 -184.424 -32.8507 71.8066 -243.505 -123.715 -20.1039 -104.346 -244.33 PRESSAVG: 3728600 53.0472 9.92919 -6.1231 9.92929 2.12209 11.0394 -6.12305 11.0394 -51.101 GPRESSAVG: 3728600 53.332 8.20546 -4.19048 10.753 2.43034 11.4932 -6.71136 8.76837 -51.0879 TIMING: 3728600 CPU: 10833.5, 0.0029585/step Wall: 10833.5, 0.0029585/step, 1.04484 hours remaining, 208.226562 MB of memory in use. ENERGY: 3728600 744.4300 2093.8883 1955.3552 116.8101 -205812.9138 17551.2412 0.0000 0.0000 34147.3852 -149203.8038 298.2176 -183351.1890 -149113.8536 298.9695 -195.2947 -160.8991 558365.9848 1.3561 1.5582 PRESSURE: 3728800 -363.083 -148.239 -11.6214 -148.239 -272.58 -44.2741 -11.6227 -44.2747 151.54 GPRESSURE: 3728800 -324.088 -136.45 -23.9431 -173.927 -230.162 -57.7337 1.64248 -21.3664 156.399 PRESSAVG: 3728800 25.7964 -45.7405 -32.3967 -45.7406 -21.0098 -13.3642 -32.3966 -13.3643 12.4916 GPRESSAVG: 3728800 25.2666 -44.6032 -34.4588 -46.4166 -20.3798 -14.0097 -31.8359 -11.9113 13.0383 TIMING: 3728800 CPU: 10834, 0.00295103/step Wall: 10834, 0.00295103/step, 1.04204 hours remaining, 208.226562 MB of memory in use. ENERGY: 3728800 777.0385 2155.3140 1960.5144 106.8245 -206247.9344 17765.8171 0.0000 0.0000 34452.6740 -149029.7518 300.8838 -183482.4258 -148932.4724 299.1550 -161.3743 -132.6169 558449.8005 5.7594 5.9750 PRESSURE: 3729000 -84.1956 -145.957 32.4973 -145.957 -90.9438 56.6807 32.4978 56.6824 -20.4357 GPRESSURE: 3729000 -74.5632 -170.775 63.1339 -162.168 -57.1515 -5.57219 83.81 26.4725 31.2565 PRESSAVG: 3729000 -121.639 -58.542 17.9076 -58.5419 23.748 -17.4648 17.9077 -17.4648 34.1683 GPRESSAVG: 3729000 -120.514 -59.4361 18.0628 -58.3798 23.4056 -15.1412 17.9525 -19.0554 32.9088 TIMING: 3729000 CPU: 10834.6, 0.00294909/step Wall: 10834.6, 0.00294908/step, 1.04119 hours remaining, 208.226562 MB of memory in use. ENERGY: 3729000 726.9696 2081.0611 1949.4717 122.8532 -205964.6082 17650.5931 0.0000 0.0000 34405.0037 -149028.6558 300.4675 -183433.6595 -148932.7611 299.9177 -65.1917 -33.4861 558267.5380 -21.2410 -21.3999 PRESSURE: 3729200 3.26307 -167.72 -26.8074 -167.718 -270.705 -30.568 -26.8076 -30.566 -138.318 GPRESSURE: 3729200 88.6164 -202.871 -11.4763 -112.774 -242.261 46.6303 -58.0848 -27.0944 -167.106 PRESSAVG: 3729200 -16.513 -79.129 -18.9238 -79.129 -9.92291 52.3528 -18.9238 52.3528 -19.2601 GPRESSAVG: 3729200 -15.4095 -78.4895 -17.6891 -79.7869 -10.4207 51.8336 -17.7228 51.8202 -20.1561 TIMING: 3729200 CPU: 10835.2, 0.00294516/step Wall: 10835.2, 0.00294516/step, 1.03964 hours remaining, 208.226562 MB of memory in use. ENERGY: 3729200 776.8757 2123.9204 1963.8424 120.6571 -205898.9065 17653.5231 0.0000 0.0000 34305.4333 -148954.6544 299.5979 -183260.0877 -148868.0663 300.3454 -135.2532 -106.9166 558699.0248 -15.2320 -15.3287 PRESSURE: 3729400 175.157 -151.771 -35.5434 -151.771 21.1233 23.7253 -35.5424 23.7251 -23.3313 GPRESSURE: 3729400 206.214 -108.936 -18.9142 -128.154 78.5987 29.5086 -60.4043 28.2631 -12.802 PRESSAVG: 3729400 10.0098 -44.1074 31.5783 -44.1074 -37.0469 -74.6122 31.5783 -74.6122 42.6108 GPRESSAVG: 3729400 8.66277 -44.8647 27.2755 -42.6919 -37.104 -76.056 33.3846 -73.1034 43.9242 TIMING: 3729400 CPU: 10835.8, 0.00292579/step Wall: 10835.8, 0.00292579/step, 1.03264 hours remaining, 208.226562 MB of memory in use. ENERGY: 3729400 764.6975 2053.8857 1964.6552 112.2624 -205974.0083 17756.9582 0.0000 0.0000 34258.6862 -149062.8631 299.1896 -183321.5493 -148963.4723 299.7831 57.6497 90.6701 556714.3721 5.1913 5.1610 PRESSURE: 3729600 -49.5479 -46.1454 -3.30978 -46.1454 -42.4734 -93.4555 -3.31015 -93.4555 128.267 GPRESSURE: 3729600 -36.6062 -25.357 61.5212 -98.9151 13.7544 -167.747 -51.0459 -44.5695 147.251 PRESSAVG: 3729600 103.631 4.75096 7.52982 4.75097 -20.613 9.68198 7.52988 9.68179 -38.4538 GPRESSAVG: 3729600 104.165 4.98433 11.245 4.17574 -20.4378 10.1889 4.89677 9.90478 -38.8597 TIMING: 3729600 CPU: 10836.4, 0.00292353/step Wall: 10836.4, 0.00292353/step, 1.03168 hours remaining, 208.226562 MB of memory in use. ENERGY: 3729600 767.3245 2041.7526 1962.0038 110.2539 -205854.7560 17721.1491 0.0000 0.0000 34450.3622 -148801.9098 300.8636 -183252.2720 -148705.3544 300.3263 12.0818 41.4665 557438.6511 14.8547 14.9558 PRESSURE: 3729800 -73.9615 141.086 231.666 141.085 76.084 -95.6509 231.668 -95.6515 198.87 GPRESSURE: 3729800 -85.4162 74.8632 216.054 189.962 141.455 -46.7972 224.781 -102.023 229.984 PRESSAVG: 3729800 37.2244 0.363446 22.8381 0.363438 4.5555 -25.4333 22.8381 -25.4334 -57.8698 GPRESSAVG: 3729800 37.9432 -0.957695 21.1373 0.294219 4.5662 -26.946 24.1017 -25.2955 -58.0119 TIMING: 3729800 CPU: 10837, 0.00295323/step Wall: 10837, 0.00295323/step, 1.042 hours remaining, 208.226562 MB of memory in use. ENERGY: 3729800 710.9648 2071.2363 1954.3850 113.4085 -205669.5213 17627.1653 0.0000 0.0000 34393.8483 -148798.5133 300.3700 -183192.3616 -148697.8627 300.7643 66.9974 95.3412 558165.2911 -5.3633 -5.1675 PRESSURE: 3730000 151.937 50.5861 -50.4887 50.5864 100.151 105.596 -50.4872 105.599 5.55452 GPRESSURE: 3730000 201.412 103.67 -17.2132 67.3369 132.51 118.397 -76.7455 108.463 19.7319 PRESSAVG: 3730000 -58.3401 -5.12355 1.60759 -5.12354 -5.28959 -12.0417 1.60755 -12.0417 9.43049 GPRESSAVG: 3730000 -59.1322 -3.34606 1.28372 -6.67792 -6.18693 -12.0093 2.68314 -11.6462 10.313 TIMING: 3730000 CPU: 10837.6, 0.00293153/step Wall: 10837.6, 0.00293153/step, 1.03418 hours remaining, 208.226562 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: 3730000 731.7292 2142.7043 1942.9879 110.1306 -206229.5272 17999.2827 0.0000 0.0000 34499.7626 -148802.9298 301.2950 -183302.6924 -148705.9490 300.4712 85.8807 117.8846 558070.2953 -18.0664 -18.3354 PRESSURE: 3730200 111.379 37.7545 4.22406 37.7543 29.8518 17.657 4.22388 17.6588 112.165 GPRESSURE: 3730200 162.313 -20.1856 25.002 90.1133 22.9457 29.9178 -87.0549 51.5677 163.79 PRESSAVG: 3730200 57.3222 56.633 -42.7698 56.633 -5.45431 7.00218 -42.7698 7.00225 -30.4295 GPRESSAVG: 3730200 56.9455 55.3733 -41.5946 58.6068 -4.72579 6.7175 -44.0409 5.71955 -30.7587 TIMING: 3730200 CPU: 10838.2, 0.00295154/step Wall: 10838.2, 0.00295154/step, 1.04107 hours remaining, 208.226562 MB of memory in use. ENERGY: 3730200 728.8895 2089.3670 1944.9370 107.7588 -205912.2060 17762.6994 0.0000 0.0000 34500.1606 -148778.3936 301.2985 -183278.5543 -148663.3565 300.8251 84.4652 116.3495 556723.8261 7.1461 7.1537 PRESSURE: 3730400 -111.762 36.7134 73.3538 36.7136 32.4887 -71.0262 73.3539 -71.0263 323.801 GPRESSURE: 3730400 -91.6322 87.6154 90.4829 49.1039 103.564 -196.739 18.9077 -66.1239 320.342 PRESSAVG: 3730400 -76.496 -25.5846 -20.2948 -25.5846 31.7947 -10.5426 -20.2949 -10.5426 25.6902 GPRESSAVG: 3730400 -74.7088 -26.6527 -18.3851 -24.0651 31.1978 -8.52736 -21.6306 -9.57277 25.3624 TIMING: 3730400 CPU: 10838.8, 0.00298176/step Wall: 10838.8, 0.00298176/step, 1.05157 hours remaining, 208.226562 MB of memory in use. ENERGY: 3730400 710.5127 2105.2077 1976.9572 114.5957 -205636.8247 17676.5208 0.0000 0.0000 34260.0716 -148792.9589 299.2017 -183053.0305 -148699.8829 300.1665 81.5093 110.7581 557049.5235 -6.3371 -6.0495 PRESSURE: 3730600 183.985 -91.7351 -44.0025 -91.7345 43.1676 -31.3685 -44.0027 -31.3683 47.3337 GPRESSURE: 3730600 202.815 -35.1849 -45.3449 -12.1981 96.3147 -20.6892 -16.4324 -23.0968 71.2015 PRESSAVG: 3730600 -67.2865 -13.0604 12.3671 -13.0605 1.02345 -1.60778 12.3671 -1.60793 67.8868 GPRESSAVG: 3730600 -67.7287 -10.3749 10.2102 -16.9928 0.846026 -1.54197 15.517 -2.51385 68.3973 TIMING: 3730600 CPU: 10839.3, 0.00294805/step Wall: 10839.3, 0.00294805/step, 1.03951 hours remaining, 208.554688 MB of memory in use. ENERGY: 3730600 734.8452 2125.0702 1965.5809 120.6903 -205923.7829 17804.4207 0.0000 0.0000 34283.9014 -148889.2743 299.4098 -183173.1757 -148789.2718 300.5380 91.4953 123.4438 557759.9761 0.5412 0.5049 PRESSURE: 3730800 -67.7289 54.4179 107.555 54.4181 -18.8191 128.489 107.556 128.489 -235.617 GPRESSURE: 3730800 -23.5598 11.0524 -0.117115 137.341 -30.2661 101.125 117.365 195.685 -171.109 PRESSAVG: 3730800 -84.8723 24.0816 3.00537 24.0816 65.3655 60.5182 3.00533 60.5181 57.7627 GPRESSAVG: 3730800 -84.5833 22.0518 3.06251 24.2819 65.2179 59.8345 0.467357 61.2111 56.8743 TIMING: 3730800 CPU: 10839.9, 0.00293828/step Wall: 10839.9, 0.00293828/step, 1.03591 hours remaining, 208.554688 MB of memory in use. ENERGY: 3730800 730.4196 2018.4703 1942.7902 116.2311 -205604.9278 17562.9842 0.0000 0.0000 34293.1125 -148940.9200 299.4903 -183234.0325 -148843.0098 300.4071 -107.3882 -74.9784 557787.5644 12.7520 12.5030 PRESSURE: 3731000 13.5556 -66.593 -63.0256 -66.5942 -138.101 -60.8461 -63.0244 -60.8452 281.507 GPRESSURE: 3731000 -48.8239 28.8083 -41.5644 17.2851 -3.05918 33.2708 -81.9676 -101.951 294.448 PRESSAVG: 3731000 -7.56595 26.2262 -66.3314 26.2262 -30.8146 18.4415 -66.3314 18.4414 69.6233 GPRESSAVG: 3731000 -7.84519 28.7964 -67.0476 26.4974 -30.695 18.5968 -67.2255 18.4914 70.2057 TIMING: 3731000 CPU: 10840.5, 0.00296903/step Wall: 10840.5, 0.00296903/step, 1.04658 hours remaining, 208.554688 MB of memory in use. ENERGY: 3731000 734.0238 2113.1763 1963.8212 124.8121 -205859.8030 17719.0434 0.0000 0.0000 34229.7224 -148975.2038 298.9367 -183204.9262 -148882.9440 299.1952 52.3205 80.8551 556508.8359 10.4142 10.5552 PRESSURE: 3731200 54.9454 52.63 79.4653 52.6298 21.5865 3.55456 79.4668 3.55398 116.483 GPRESSURE: 3731200 117.065 19.4719 82.2948 -5.50209 58.454 71.1343 48.9148 22.291 105.682 PRESSAVG: 3731200 -15.8168 9.56822 -3.62625 9.56814 -30.0152 -2.09534 -3.62614 -2.09547 73.1757 GPRESSAVG: 3731200 -16.0193 6.70043 -1.40776 10.1766 -31.1586 -2.25638 -4.24969 -0.115482 73.6905 TIMING: 3731200 CPU: 10841.1, 0.00294436/step Wall: 10841.1, 0.00294436/step, 1.03772 hours remaining, 208.554688 MB of memory in use. ENERGY: 3731200 734.6020 2086.1798 1964.7982 114.3126 -206138.6383 17741.2699 0.0000 0.0000 34540.5945 -148956.8813 301.6516 -183497.4758 -148859.2292 299.8488 64.3384 93.7339 555193.8921 9.1145 8.8375 PRESSURE: 3731400 -30.9334 72.06 167.211 72.0608 65.7359 18.2519 167.21 18.2531 -160.681 GPRESSURE: 3731400 36.596 34.0043 135.245 93.997 22.9005 -36.039 127.541 40.1865 -106.182 PRESSAVG: 3731400 -35.3335 -2.32609 -23.39 -2.32604 17.6017 -25.354 -23.3901 -25.3539 13.6421 GPRESSAVG: 3731400 -35.5641 -0.676528 -25.6082 -2.26503 18.8032 -25.7589 -21.4408 -26.9685 13.2118 TIMING: 3731400 CPU: 10841.7, 0.00292596/step Wall: 10841.7, 0.00292596/step, 1.03108 hours remaining, 208.554688 MB of memory in use. ENERGY: 3731400 744.4990 2071.0497 1975.3959 112.0296 -205912.8945 17624.5215 0.0000 0.0000 34246.8736 -149138.5253 299.0865 -183385.3989 -149051.9240 299.7217 -41.9594 -15.5620 556465.4591 -1.3633 -1.1830 PRESSURE: 3731600 -255.363 -5.72271 -98.2135 -5.7224 -238.661 149.778 -98.215 149.779 -39.342 GPRESSURE: 3731600 -214.007 -21.1824 -84.9269 -29.2793 -182.945 209.274 -165.237 50.6324 -32.2436 PRESSAVG: 3731600 -16.6143 -43.7602 -29.5572 -43.7602 -46.6872 -24.1048 -29.5572 -24.1048 60.2981 GPRESSAVG: 3731600 -15.9724 -44.0249 -28.4702 -44.8287 -46.0391 -24.6214 -31.5691 -24.41 59.384 TIMING: 3731600 CPU: 10842.3, 0.00291765/step Wall: 10842.3, 0.00291765/step, 1.02799 hours remaining, 208.554688 MB of memory in use. ENERGY: 3731600 781.9502 2076.3930 1955.7105 112.6144 -206135.8295 17619.2519 0.0000 0.0000 34317.4495 -149272.4601 299.7028 -183589.9096 -149172.4326 299.4369 -177.7887 -143.0653 557471.9679 -1.0011 -0.8758 PRESSURE: 3731800 -24.5561 51.508 -75.1819 51.5081 35.8014 -82.5926 -75.1823 -82.593 67.3588 GPRESSURE: 3731800 8.63056 40.1635 -104.026 75.3505 47.9722 -15.3049 -22.6798 -99.8453 123.213 PRESSAVG: 3731800 -8.09188 4.51385 -18.1602 4.51399 -48.6896 -26.4057 -18.1602 -26.4058 57.3779 GPRESSAVG: 3731800 -8.806 2.79788 -21.575 6.46555 -48.2077 -25.0224 -15.6379 -27.8233 57.8226 TIMING: 3731800 CPU: 10842.9, 0.00294685/step Wall: 10842.9, 0.00294685/step, 1.03811 hours remaining, 208.554688 MB of memory in use. ENERGY: 3731800 750.1076 2117.2210 1965.6817 114.4296 -206202.4862 17837.7579 0.0000 0.0000 34140.5310 -149276.7573 298.1577 -183417.2883 -149180.8390 299.0808 26.2014 59.9385 558188.6356 0.1988 0.2697 PRESSURE: 3732000 12.1405 -64.5508 -124.016 -64.5502 74.0355 -0.87408 -124.016 -0.875185 -54.8157 GPRESSURE: 3732000 -14.5211 -70.2785 -85.2345 -33.4191 62.2604 59.2815 -90.1431 -53.4402 79.3755 PRESSAVG: 3732000 10.7062 -31.5006 -29.7844 -31.5006 12.0173 26.3567 -29.7844 26.3566 -54.6192 GPRESSAVG: 3732000 10.2992 -27.5242 -27.9414 -34.4085 11.1905 26.2454 -30.0972 28.5969 -53.9169 TIMING: 3732000 CPU: 10843.5, 0.00294936/step Wall: 10843.5, 0.00294936/step, 1.03883 hours remaining, 208.554688 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: 3732000 706.2695 2199.5143 1916.0403 103.7784 -206067.6771 17723.6689 0.0000 0.0000 34238.4415 -149179.9641 299.0128 -183418.4057 -149087.8932 299.1967 10.4534 42.3716 557397.1291 -10.6319 -10.8091 PRESSURE: 3732200 -192.524 9.49355 -42.3934 9.49321 -376.02 18.2418 -42.3939 18.2421 87.4583 GPRESSURE: 3732200 -136.817 124.565 -73.6034 -43.469 -335.819 -21.2154 -122.285 60.4731 90.1316 PRESSAVG: 3732200 76.4294 -17.1581 -5.71394 -17.1582 -74.146 11.9223 -5.71398 11.9222 17.4428 GPRESSAVG: 3732200 77.8984 -20.0616 -5.49947 -14.93 -74.2902 11.7891 -7.3429 11.5165 15.9917 TIMING: 3732200 CPU: 10844.1, 0.00296134/step Wall: 10844.1, 0.00296134/step, 1.04289 hours remaining, 208.554688 MB of memory in use. ENERGY: 3732200 741.2582 2183.2144 1926.3024 123.6574 -205908.4328 17635.1861 0.0000 0.0000 34135.7648 -149163.0494 298.1161 -183298.8143 -149070.7211 299.6489 -160.3618 -127.5015 558499.8323 6.5754 6.5333 LDB: ============= START OF LOAD BALANCING ============== 10847.5 LDB: ============== END OF LOAD BALANCING =============== 10847.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10847.5 LDB: ============= START OF LOAD BALANCING ============== 10847.8 LDB: Largest compute 4820 load 0.032747 is 27.8% of average load 0.117835 LDB: Average compute 0.001725 is 1.5% of average load 0.117835 LDB: TIME 10847.8 LOAD: AVG 0.117835 MAX 0.184529 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 10847.8 LOAD: AVG 0.117835 MAX 0.184529 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.598 MB LDB: TIME 10847.8 LOAD: AVG 0.117835 MAX 0.184529 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10847.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10847.8 PRESSURE: 3732400 -32.6032 -182.674 53.4606 -182.673 184.106 -87.5745 53.4605 -87.5745 8.85158 GPRESSURE: 3732400 38.5481 -178.202 90.0023 -44.887 182.888 11.1272 -41.6695 -145.024 47.1032 PRESSAVG: 3732400 45.7365 33.9718 1.66081 33.9717 -50.2928 -26.5651 1.66081 -26.565 0.799144 GPRESSAVG: 3732400 45.0378 35.2928 1.51192 34.0367 -50.6086 -25.6223 1.20053 -27.1462 1.97711 TIMING: 3732400 CPU: 10844.7, 0.00301156/step Wall: 10844.7, 0.00301156/step, 1.0604 hours remaining, 209.179688 MB of memory in use. ENERGY: 3732400 758.2953 2098.6748 1949.1378 113.1383 -206381.0398 17923.3498 0.0000 0.0000 34370.7146 -149167.7291 300.1680 -183538.4437 -149077.5078 300.0836 53.4516 89.5131 556413.7357 -1.2524 -1.1979 PRESSURE: 3732600 22.9602 92.7463 69.2384 92.7449 -90.447 -195.002 69.2393 -195.003 295.52 GPRESSURE: 3732600 38.9172 34.7388 71.0575 142.347 -28.9843 -212.207 69.6165 -213.509 314.746 PRESSAVG: 3732600 56.3126 -45.6513 -20.9536 -45.6514 -61.5401 -83.6154 -20.9536 -83.6154 -23.3086 GPRESSAVG: 3732600 54.9894 -47.6064 -20.2473 -46.8218 -60.3343 -84.1055 -19.7061 -83.0753 -23.3572 TIMING: 3732600 CPU: 10845.2, 0.00292918/step Wall: 10845.2, 0.00292918/step, 1.03123 hours remaining, 209.250000 MB of memory in use. ENERGY: 3732600 755.1257 2091.9045 1949.0832 112.1610 -206327.3845 17990.3601 0.0000 0.0000 34394.6309 -149034.1190 300.3769 -183428.7499 -148936.6129 300.5304 76.0111 108.2261 557816.0633 -9.5120 -9.5674 PRESSURE: 3732800 260.584 -114.258 24.6491 -114.258 142.927 -9.89395 24.6486 -9.8946 81.5421 GPRESSURE: 3732800 260.867 -95.444 48.9184 -43.9699 225.953 1.61259 -5.6253 -35.7077 90.8508 PRESSAVG: 3732800 53.7586 -20.237 -28.4067 -20.2369 -34.0136 -32.1205 -28.4068 -32.1206 -0.937743 GPRESSAVG: 3732800 54.6193 -18.4395 -30.2963 -20.2576 -34.4921 -33.7768 -29.6693 -31.4708 -1.08834 TIMING: 3732800 CPU: 10845.8, 0.0029307/step Wall: 10845.8, 0.0029307/step, 1.03161 hours remaining, 209.250000 MB of memory in use. ENERGY: 3732800 723.8021 2130.8926 1944.3743 101.9651 -206200.8533 18064.3454 0.0000 0.0000 34158.4243 -149077.0496 298.3140 -183235.4739 -148987.1537 299.8706 161.6844 192.5569 556003.1456 6.2691 6.3463 PRESSURE: 3733000 40.6793 -34.5489 54.1967 -34.5491 34.7833 190.084 54.1983 190.085 -198.558 GPRESSURE: 3733000 61.6415 -0.471023 53.1172 17.3676 2.452 132.165 -28.2595 234.154 -82.2204 PRESSAVG: 3733000 89.9897 -16.8947 38.9035 -16.8948 -63.3284 15.1848 38.9036 15.1847 -41.3279 GPRESSAVG: 3733000 89.8028 -17.6108 38.9725 -15.9687 -63.0649 17.0559 41.3614 12.3883 -41.4932 TIMING: 3733000 CPU: 10846.4, 0.00294731/step Wall: 10846.4, 0.00294731/step, 1.03729 hours remaining, 209.250000 MB of memory in use. ENERGY: 3733000 752.3103 2080.1668 1941.7478 118.5307 -206679.1411 17858.1841 0.0000 0.0000 34497.7645 -149430.4368 301.2776 -183928.2013 -149337.5610 299.4082 -41.0317 -6.0423 555256.6106 -4.8889 -4.9184 PRESSURE: 3733200 -114.506 75.492 148.149 75.4918 -102.453 72.2253 148.148 72.2249 -62.7469 GPRESSURE: 3733200 -86.443 79.9387 137.27 114.434 -58.1545 69.0983 86.6575 -16.8985 -36.2141 PRESSAVG: 3733200 11.6925 28.3988 55.4625 28.3989 31.2965 45.987 55.4626 45.9869 23.8611 GPRESSAVG: 3733200 11.6704 26.909 58.3578 29.6979 30.2185 44.444 52.6354 47.2127 24.4244 TIMING: 3733200 CPU: 10847, 0.00294745/step Wall: 10847, 0.00294745/step, 1.03718 hours remaining, 209.250000 MB of memory in use. ENERGY: 3733200 779.3189 2091.4810 1953.6985 98.4659 -206344.1438 17842.3005 0.0000 0.0000 34230.3653 -149348.5137 298.9423 -183578.8789 -149256.3593 299.8779 -93.2356 -60.2705 557432.0847 22.2833 22.1044 PRESSURE: 3733400 -255.959 127.672 74.2846 127.671 -133.345 -41.2742 74.2833 -41.2746 -187.637 GPRESSURE: 3733400 -185.457 126.262 129.613 159.324 -111.934 -24.5657 59.2626 -57.199 -189.188 PRESSAVG: 3733400 13.0818 45.7893 5.57673 45.7893 -44.8718 -10.214 5.57667 -10.2139 37.7384 GPRESSAVG: 3733400 14.5484 46.6876 4.75416 44.9141 -44.3561 -8.67525 6.58733 -9.11138 36.4742 TIMING: 3733400 CPU: 10847.6, 0.00290703/step Wall: 10847.6, 0.00290703/step, 1.02279 hours remaining, 209.550781 MB of memory in use. ENERGY: 3733400 774.1606 2097.0068 1957.1248 104.0826 -206356.4833 17795.2338 0.0000 0.0000 34186.7947 -149442.0799 298.5618 -183628.8746 -149353.1561 299.1688 -192.3134 -162.1928 557685.0867 1.9828 2.2222 PRESSURE: 3733600 9.13484 138.462 -117.261 138.461 141.265 -165.191 -117.262 -165.191 127.245 GPRESSURE: 3733600 73.4093 122.295 -84.2695 205.397 100.533 -101.735 -143.7 -139.869 194.014 PRESSAVG: 3733600 41.9205 19.8285 114.757 19.8286 -21.4387 -6.23362 114.757 -6.23375 2.01764 GPRESSAVG: 3733600 40.5868 20.7947 112.13 19.3219 -20.2696 -3.94329 115.742 -8.97605 2.64757 TIMING: 3733600 CPU: 10848.2, 0.00294799/step Wall: 10848.2, 0.00294799/step, 1.03704 hours remaining, 209.550781 MB of memory in use. ENERGY: 3733600 737.4347 2065.2294 1948.9925 112.8899 -206286.9984 17903.2688 0.0000 0.0000 34182.4336 -149336.7496 298.5237 -183519.1831 -149246.2242 298.9936 92.5483 122.6520 556508.9832 7.4998 7.6549 PRESSURE: 3733800 86.3566 11.5376 160.196 11.5375 33.2585 -117.579 160.197 -117.579 -150.011 GPRESSURE: 3733800 143.292 24.392 103.026 -20.1214 96.3635 -134.724 169.691 -191.467 -183.165 PRESSAVG: 3733800 -21.3796 -12.372 56.6216 -12.3719 24.9566 -74.8124 56.6217 -74.8125 -30.862 GPRESSAVG: 3733800 -23.3093 -13.8297 58.0313 -12.2479 26.4024 -78.6054 55.8944 -72.349 -30.6266 TIMING: 3733800 CPU: 10848.8, 0.00294291/step Wall: 10848.8, 0.00294291/step, 1.03509 hours remaining, 209.550781 MB of memory in use. ENERGY: 3733800 720.6313 2163.4535 1931.0314 109.0274 -206420.7938 17862.8126 0.0000 0.0000 34377.5701 -149256.2675 300.2279 -183633.8376 -149160.6124 298.9815 -10.1320 18.8304 558505.9141 -9.0950 -9.1778 PRESSURE: 3734000 31.742 -48.2054 -178.229 -48.2041 9.38785 -2.1323 -178.228 -2.13231 -220.634 GPRESSURE: 3734000 110.948 -80.6357 -166.865 -62.8982 -4.1573 -9.90032 -187.134 10.3439 -176.944 PRESSAVG: 3734000 -4.26194 -64.8065 29.6143 -64.8067 57.0752 -73.7627 29.6143 -73.7627 -15.7745 GPRESSAVG: 3734000 -1.75333 -66.6431 29.6989 -64.8682 55.7003 -71.8858 29.3947 -74.6521 -16.9111 TIMING: 3734000 CPU: 10849.4, 0.00297221/step Wall: 10849.4, 0.00297221/step, 1.04523 hours remaining, 209.550781 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: 3734000 713.4232 2037.5339 1967.2248 123.2061 -206153.6881 17799.5359 0.0000 0.0000 34100.8296 -149411.9346 297.8110 -183512.7642 -149318.0413 299.1533 -59.8349 -23.3846 558301.4112 12.3462 12.3453 PRESSURE: 3734200 133.848 12.8429 -101.973 12.8428 100.802 -62.7903 -101.974 -62.7905 303.87 GPRESSURE: 3734200 170.716 34.2841 -27.2499 35.3179 175.194 -58.3423 -198.793 -11.9043 282.865 PRESSAVG: 3734200 -10.1939 21.2695 -26.3696 21.2695 4.79873 14.3964 -26.3696 14.3963 -12.3722 GPRESSAVG: 3734200 -10.8639 22.2898 -25.0624 21.517 5.25164 12.6497 -26.4875 16.9621 -11.9972 TIMING: 3734200 CPU: 10850, 0.00296699/step Wall: 10850, 0.00296699/step, 1.04323 hours remaining, 209.550781 MB of memory in use. ENERGY: 3734200 726.4521 2070.6996 1948.9806 118.2255 -206722.2729 18162.9570 0.0000 0.0000 34175.9886 -149518.9694 298.4674 -183694.9580 -149426.5319 298.2661 179.5066 209.5918 557276.4025 -5.9224 -5.8698 PRESSURE: 3734400 -83.1014 42.8529 -32.1002 42.8526 -124.745 -37.9316 -32.0993 -37.9307 88.6705 GPRESSURE: 3734400 -27.5998 14.3295 -41.2705 -12.9145 -115.743 -116.047 -20.227 -6.11004 102.437 PRESSAVG: 3734400 5.73291 -9.6298 65.0156 -9.62986 16.2074 42.0272 65.0157 42.0271 -43.5734 GPRESSAVG: 3734400 5.64138 -8.52985 63.5126 -10.2614 16.1863 42.9142 67.5839 40.2238 -43.8598 TIMING: 3734400 CPU: 10850.5, 0.00296696/step Wall: 10850.5, 0.00296696/step, 1.04305 hours remaining, 209.550781 MB of memory in use. ENERGY: 3734400 745.9068 2161.1680 1952.1490 107.0453 -206540.5019 17879.5746 0.0000 0.0000 34156.3200 -149538.3382 298.2956 -183694.6582 -149437.9138 298.1463 -39.7253 -13.6352 557687.5529 -7.2110 -7.3440 PRESSURE: 3734600 6.28329 -55.544 67.2401 -55.542 249.732 58.9164 67.2404 58.9158 -83.8838 GPRESSURE: 3734600 31.7929 -64.5368 69.5646 -67.9163 297.385 65.8087 65.611 44.111 -57.5005 PRESSAVG: 3734600 16.325 -33.8469 22.8025 -33.8468 -24.6056 -11.6923 22.8025 -11.6924 14.6677 GPRESSAVG: 3734600 16.5725 -32.9161 24.3645 -34.4646 -25.2338 -13.6151 21.2795 -10.8605 14.9478 TIMING: 3734600 CPU: 10851.1, 0.00294995/step Wall: 10851.1, 0.00294995/step, 1.03691 hours remaining, 209.550781 MB of memory in use. ENERGY: 3734600 716.9331 2082.2990 1930.7023 111.1855 -206477.0516 17986.0259 0.0000 0.0000 34210.9233 -149438.9825 298.7725 -183649.9058 -149331.5827 298.5988 57.3773 90.5591 557339.0439 2.1290 2.0955 PRESSURE: 3734800 -79.8311 -72.5872 -133.656 -72.5865 -317.07 -47.9942 -133.656 -47.9963 -19.7154 GPRESSURE: 3734800 -20.7712 -68.094 -229.338 -72.888 -281.312 -59.5176 -183.631 13.2481 0.860672 PRESSAVG: 3734800 33.375 -41.2959 -0.381147 -41.296 -44.0123 41.0808 -0.381205 41.0809 20.5615 GPRESSAVG: 3734800 33.3069 -44.0298 -3.99947 -39.5853 -45.4282 43.7786 0.528229 39.7362 21.6177 TIMING: 3734800 CPU: 10851.7, 0.00293732/step Wall: 10851.7, 0.00293732/step, 1.03231 hours remaining, 209.550781 MB of memory in use. ENERGY: 3734800 758.0728 2069.4943 1967.2572 120.6988 -206054.8736 17769.5939 0.0000 0.0000 33989.8558 -149379.9007 296.8419 -183369.7564 -149291.7285 298.7781 -138.8722 -100.4076 558489.0639 3.3081 3.1655 PRESSURE: 3735000 72.001 -78.9224 -86.1775 -78.9232 140.042 49.4044 -86.1765 49.4045 177.738 GPRESSURE: 3735000 44.5912 43.0297 -75.922 -115.447 176.897 91.3801 -97.8971 57.7246 261.493 PRESSAVG: 3735000 3.45524 4.91422 -28.4509 4.91421 54.998 -42.0812 -28.4509 -42.0813 57.6541 GPRESSAVG: 3735000 2.97571 6.82978 -23.9462 4.25661 56.0512 -42.4796 -30.2932 -42.8761 56.372 TIMING: 3735000 CPU: 10852.3, 0.00295958/step Wall: 10852.3, 0.00295958/step, 1.03996 hours remaining, 209.550781 MB of memory in use. ENERGY: 3735000 754.2464 2101.8981 1964.0287 112.8568 -206303.2814 17830.1318 0.0000 0.0000 34167.0880 -149373.0316 298.3897 -183540.1196 -149274.0996 298.7155 129.9268 160.9938 555532.9339 38.7025 38.4663 PRESSURE: 3735200 -189.427 -69.4679 -3.78299 -69.4681 43.1125 -57.2953 -3.78361 -57.2935 -42.5137 GPRESSURE: 3735200 -120.375 -50.1375 -73.5349 -90.3484 94.2776 -34.2233 115.464 -45.3619 -74.5673 PRESSAVG: 3735200 -54.1065 19.0572 -64.9226 19.0572 -29.2039 -28.9016 -64.9226 -28.9017 46.1243 GPRESSAVG: 3735200 -53.2646 18.3965 -67.5784 18.886 -29.5607 -29.2272 -62.5732 -27.3632 45.8406 TIMING: 3735200 CPU: 10852.9, 0.00294332/step Wall: 10852.9, 0.00294332/step, 1.03409 hours remaining, 209.550781 MB of memory in use. ENERGY: 3735200 804.7996 2018.8109 1991.9344 103.8278 -206248.5216 17800.7499 0.0000 0.0000 34247.1662 -149281.2328 299.0890 -183528.3990 -149186.4305 298.7937 -62.9428 -33.5550 557863.9489 -12.3954 -12.3282 PRESSURE: 3735400 25.07 144.61 -42.1233 144.609 -6.61097 -33.7554 -42.1227 -33.7537 -14.3967 GPRESSURE: 3735400 57.7219 30.0047 -9.94889 117.142 55.5006 63.7482 -30.8408 -24.2865 -8.21193 PRESSAVG: 3735400 -32.5341 -53.0453 27.5825 -53.0452 20.965 -35.6645 27.5826 -35.6645 -8.67578 GPRESSAVG: 3735400 -32.6316 -53.5745 26.3574 -51.7724 20.8035 -33.7427 28.7579 -34.0027 -8.01643 TIMING: 3735400 CPU: 10853.5, 0.00293266/step Wall: 10853.5, 0.00293266/step, 1.03018 hours remaining, 209.550781 MB of memory in use. ENERGY: 3735400 795.8321 2047.7202 1957.7923 117.9232 -206491.2940 17992.3466 0.0000 0.0000 34122.2344 -149457.4453 297.9980 -183579.6797 -149363.6886 298.5581 1.3541 35.0035 558025.6423 -6.7483 -6.6149 PRESSURE: 3735600 352.092 108.87 110.316 108.87 -141.673 -35.9075 110.315 -35.9078 -153.811 GPRESSURE: 3735600 321.299 172.445 168.726 -13.9406 -115.208 9.13438 86.7576 23.9511 -35.719 PRESSAVG: 3735600 29.1701 -36.147 7.94385 -36.147 31.35 -34.1907 7.94392 -34.1907 -43.5018 GPRESSAVG: 3735600 29.271 -34.0095 10.3159 -36.563 30.9938 -34.6958 5.46279 -36.2982 -42.6395 TIMING: 3735600 CPU: 10854.1, 0.00294276/step Wall: 10854.1, 0.00294276/step, 1.03356 hours remaining, 209.550781 MB of memory in use. ENERGY: 3735600 705.2908 2106.6591 1958.6872 99.7700 -206475.6075 17957.3837 0.0000 0.0000 34256.3431 -149391.4736 299.1692 -183647.8167 -149291.3116 298.8349 18.8695 56.7906 558222.4892 5.6728 5.8751 PRESSURE: 3735800 -155.92 -43.9928 -110.775 -43.9933 -271.411 24.409 -110.776 24.4075 -369.304 GPRESSURE: 3735800 -78.269 -89.4105 -143.878 22.199 -245.614 37.0654 -202.399 -32.4302 -366.331 PRESSAVG: 3735800 68.2315 -22.8844 -46.7167 -22.8844 -16.6809 66.559 -46.7167 66.559 -66.9874 GPRESSAVG: 3735800 67.3573 -23.9452 -48.3541 -23.7015 -15.8742 64.9308 -47.5945 66.8978 -66.9387 TIMING: 3735800 CPU: 10854.7, 0.00293425/step Wall: 10854.7, 0.00293425/step, 1.03041 hours remaining, 209.550781 MB of memory in use. ENERGY: 3735800 805.4013 2083.0278 1971.1485 108.8004 -206285.4213 17616.6092 0.0000 0.0000 34364.8763 -149335.5578 300.1170 -183700.4342 -149237.8358 298.8356 -265.5446 -230.0713 558376.5017 -5.1456 -5.1519 PRESSURE: 3736000 96.7631 57.6063 81.6649 57.6056 -7.809 -1.01156 81.6645 -1.01241 161.372 GPRESSURE: 3736000 173.403 12.169 94.6521 47.8291 11.7084 27.7232 103.501 -66.0871 175.141 PRESSAVG: 3736000 -26.7332 -64.7934 -5.98489 -64.7934 39.4779 -33.4873 -5.98485 -33.4871 -29.3209 GPRESSAVG: 3736000 -25.9236 -64.8729 -4.49512 -65.5845 39.2373 -32.1342 -5.87756 -34.279 -30.0555 TIMING: 3736000 CPU: 10855.3, 0.00291872/step Wall: 10855.3, 0.00291872/step, 1.02479 hours remaining, 209.550781 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: 3736000 745.2523 2049.9910 1927.2871 124.3863 -206222.7022 17802.6427 0.0000 0.0000 34078.9199 -149494.2229 297.6197 -183573.1428 -149393.0509 298.9821 83.4422 120.0841 557444.4465 -5.5254 -5.5806 PRESSURE: 3736200 338.043 -19.2632 -93.7081 -19.2635 -23.6696 57.5699 -93.709 57.5691 233.071 GPRESSURE: 3736200 381.605 -60.4314 -82.3646 -15.0993 71.4318 50.2429 -133.757 90.7804 182.628 PRESSAVG: 3736200 26.2357 1.41081 -21.6388 1.4108 2.70511 47.2052 -21.6388 47.2051 -8.16379 GPRESSAVG: 3736200 27.4567 0.445795 -20.3256 4.33456 3.35068 45.923 -21.8019 47.0401 -9.68467 TIMING: 3736200 CPU: 10855.8, 0.00290881/step Wall: 10855.8, 0.00290881/step, 1.02115 hours remaining, 209.550781 MB of memory in use. ENERGY: 3736200 698.9686 2120.6091 1942.1518 99.7825 -206134.1260 17927.5388 0.0000 0.0000 34063.6197 -149281.4555 297.4861 -183345.0752 -149191.0721 298.3097 182.4813 211.8883 558150.0285 6.9257 7.0409 LDB: ============= START OF LOAD BALANCING ============== 10859.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10859.3 LDB: =============== DONE WITH MIGRATION ================ 10859.3 LDB: ============= START OF LOAD BALANCING ============== 10859.6 LDB: Largest compute 4820 load 0.032236 is 27.4% of average load 0.117775 LDB: Average compute 0.001726 is 1.5% of average load 0.117775 LDB: TIME 10859.6 LOAD: AVG 0.117775 MAX 0.186258 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 10859.6 LOAD: AVG 0.117775 MAX 0.186258 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.293 MB LDB: TIME 10859.6 LOAD: AVG 0.117775 MAX 0.186258 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10859.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10859.6 PRESSURE: 3736400 428.039 -22.3927 122.964 -22.3929 84.9978 -183.62 122.964 -183.619 -9.51279 GPRESSURE: 3736400 445.84 25.5723 108.902 -97.0654 87.8394 -194.872 91.9558 -223.218 65.0297 PRESSAVG: 3736400 16.7511 3.74362 -49.9343 3.74362 -4.3439 36.6389 -49.9344 36.6388 -27.513 GPRESSAVG: 3736400 16.0772 5.89693 -53.2029 1.42967 -5.4262 37.5401 -48.6851 36.691 -26.1854 TIMING: 3736400 CPU: 10856.4, 0.00296547/step Wall: 10856.4, 0.00296547/step, 1.04088 hours remaining, 206.265625 MB of memory in use. ENERGY: 3736400 730.3252 2096.3072 1933.0030 120.8752 -206598.4106 18088.4061 0.0000 0.0000 34415.3998 -149214.0941 300.5582 -183629.4939 -149117.0761 299.3495 167.8414 199.5698 556361.0922 -5.0353 -5.1781 PRESSURE: 3736600 44.2856 -83.4712 -36.2612 -83.4729 -39.2927 226.213 -36.2607 226.213 -157.557 GPRESSURE: 3736600 70.7543 -16.3718 5.59748 -115.51 -34.6585 247.888 -23.9732 226.582 -93.5869 PRESSAVG: 3736600 31.5701 -35.9403 -11.1602 -35.9403 -33.595 -20.0113 -11.1601 -20.0114 44.4927 GPRESSAVG: 3736600 31.9177 -36.9899 -10.0625 -35.6354 -33.3154 -19.8706 -10.7135 -20.0038 44.2061 TIMING: 3736600 CPU: 10857, 0.00290223/step Wall: 10857, 0.00290223/step, 1.01852 hours remaining, 206.468750 MB of memory in use. ENERGY: 3736600 736.4512 2099.9745 1928.4983 118.1189 -206252.8207 17868.1111 0.0000 0.0000 34342.4214 -149159.2451 299.9209 -183501.6665 -149066.9508 299.3317 -50.8546 -19.1637 559550.1617 14.1560 14.2695 PRESSURE: 3736800 86.373 172.971 -16.2248 172.971 -321.652 -93.1688 -16.2234 -93.1686 -42.9257 GPRESSURE: 3736800 124.352 189.934 -79.6673 99.0111 -252.589 -171.834 25.7669 -105.888 -60.5056 PRESSAVG: 3736800 35.2043 20.2348 -39.67 20.2348 -107.876 12.8569 -39.67 12.857 52.3881 GPRESSAVG: 3736800 33.8569 22.2953 -39.533 19.0633 -108.531 11.8526 -38.5666 13.249 53.7678 TIMING: 3736800 CPU: 10857.6, 0.00290438/step Wall: 10857.6, 0.00290438/step, 1.01912 hours remaining, 206.468750 MB of memory in use. ENERGY: 3736800 737.5711 2189.0275 1959.2779 111.0368 -206449.1770 17809.2446 0.0000 0.0000 34332.0308 -149310.9884 299.8302 -183643.0192 -149218.3688 299.3242 -92.7349 -62.9141 558281.4310 -6.7611 -6.9688 PRESSURE: 3737000 157.593 36.0281 -148.618 36.0297 -104.191 57.4763 -148.617 57.4781 344.605 GPRESSURE: 3737000 201.972 46.3141 -122.575 -58.8663 -35.9331 15.815 -135.024 136.872 344.346 PRESSAVG: 3737000 -7.62293 68.558 -22.2249 68.558 7.94928 29.0044 -22.2249 29.0043 0.577677 GPRESSAVG: 3737000 -6.05626 66.0491 -22.5153 69.4124 8.76236 29.634 -23.4596 29.4397 -1.25843 TIMING: 3737000 CPU: 10858.2, 0.0029218/step Wall: 10858.2, 0.0029218/step, 1.02506 hours remaining, 206.468750 MB of memory in use. ENERGY: 3737000 720.2990 2141.2228 1967.8571 110.0658 -206584.7343 18222.2449 0.0000 0.0000 34173.4239 -149249.6210 298.4450 -183423.0449 -149151.4185 298.6186 132.6693 170.1281 560181.5478 0.3013 0.4826 PRESSURE: 3737200 -36.1271 109.829 -14.3087 109.828 96.8381 84.9844 -14.3098 84.984 -31.4745 GPRESSURE: 3737200 4.56229 70.1658 14.2741 74.3868 121.598 77.3742 -76.0298 -5.59145 5.56366 PRESSAVG: 3737200 10.5333 -18.7389 42.5257 -18.7388 32.0196 -53.8846 42.5257 -53.8847 -50.4346 GPRESSAVG: 3737200 9.44434 -20.0721 42.2117 -16.3924 32.2147 -53.6053 43.1125 -55.4063 -49.4967 TIMING: 3737200 CPU: 10858.8, 0.00294093/step Wall: 10858.8, 0.00294093/step, 1.03161 hours remaining, 206.468750 MB of memory in use. ENERGY: 3737200 719.9983 2068.7799 1976.4085 115.8194 -206136.1697 17798.8367 0.0000 0.0000 34151.3760 -149304.9510 298.2525 -183456.3270 -149202.0060 298.7257 9.7455 43.9080 559597.6992 -2.6272 -2.6126 PRESSURE: 3737400 125.602 27.4368 -30.8324 27.4378 -19.9089 -66.8527 -30.8325 -66.8537 -170.489 GPRESSURE: 3737400 144.179 5.35044 44.3532 83.877 -19.7428 -145.25 -53.5094 -105.66 -79.9501 PRESSAVG: 3737400 -10.0134 -3.00598 15.6358 -3.00601 69.8514 -6.48499 15.6356 -6.485 -45.2613 GPRESSAVG: 3737400 -10.1783 -3.0632 17.7367 -3.6381 69.8408 -7.16751 14.3733 -6.35198 -44.616 TIMING: 3737400 CPU: 10859.3, 0.00294164/step Wall: 10859.3, 0.00294164/step, 1.0317 hours remaining, 206.468750 MB of memory in use. ENERGY: 3737400 772.5304 2109.3547 1963.3999 114.5344 -206199.7688 17884.4328 0.0000 0.0000 34103.1020 -149252.4146 297.8309 -183355.5166 -149151.6292 298.8605 -21.5985 14.8286 557226.9864 4.8589 5.0155 PRESSURE: 3737600 -104.42 178.779 -172.4 178.778 -41.7804 -71.618 -172.4 -71.6186 -2.71393 GPRESSURE: 3737600 -46.4345 190.612 -172.353 132.97 -39.7278 -41.6785 -159.475 -84.4789 15.072 PRESSAVG: 3737600 -64.1163 -22.4487 30.3423 -22.4487 36.5243 -18.4011 30.3423 -18.4011 -8.09188 GPRESSAVG: 3737600 -62.8993 -20.783 28.3519 -22.6153 34.9523 -16.6206 32.9513 -18.4135 -7.44131 TIMING: 3737600 CPU: 10859.9, 0.00292217/step Wall: 10859.9, 0.00292217/step, 1.02471 hours remaining, 206.671875 MB of memory in use. ENERGY: 3737600 770.8850 2191.8841 1964.0222 130.5327 -205855.5020 17635.1051 0.0000 0.0000 34207.7509 -148955.3221 298.7448 -183163.0730 -148861.3852 299.5434 -49.6382 -23.6968 557966.6669 -11.8946 -11.7961 PRESSURE: 3737800 -1.87254 34.2277 -143.803 34.2289 175.184 101.337 -143.804 101.338 -108.143 GPRESSURE: 3737800 41.8183 -19.0096 -110.33 -30.1178 167.057 128.119 -94.3734 89.5735 -40.9443 PRESSAVG: 3737800 -27.6756 -6.37395 -2.04165 -6.37394 36.8813 -85.1832 -2.04174 -85.1832 -3.28232 GPRESSAVG: 3737800 -27.118 -4.38806 -0.950349 -7.36458 37.2004 -87.9849 -3.89559 -83.1097 -4.29299 TIMING: 3737800 CPU: 10860.5, 0.0029615/step Wall: 10860.5, 0.0029615/step, 1.03833 hours remaining, 206.671875 MB of memory in use. ENERGY: 3737800 754.4663 2084.9713 1936.2777 119.7864 -206013.6011 17802.4508 0.0000 0.0000 34403.0852 -148912.5634 300.4507 -183315.6486 -148816.4079 299.6009 21.7228 55.9771 558729.8828 1.9744 1.9298 PRESSURE: 3738000 -58.002 -73.0082 78.4716 -73.0077 70.9328 -97.3461 78.4719 -97.3462 -189.56 GPRESSURE: 3738000 -23.182 73.9472 162.497 -159.682 75.9312 -88.2883 97.1255 -92.5605 -134.661 PRESSAVG: 3738000 12.7705 17.7522 -5.55126 17.7523 11.8491 9.63737 -5.5512 9.63747 -0.569409 GPRESSAVG: 3738000 11.9735 15.3772 -6.20539 17.9087 13.0033 11.1279 -5.77639 8.84986 -0.429538 TIMING: 3738000 CPU: 10861.1, 0.00293207/step Wall: 10861.1, 0.00293207/step, 1.02785 hours remaining, 206.671875 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: 3738000 798.0600 2107.4549 1932.0705 107.3312 -206092.6280 17750.6658 0.0000 0.0000 34399.2889 -148997.7568 300.4175 -183397.0457 -148896.0531 299.9675 -58.8764 -27.3039 556970.6238 8.0167 8.1824 PRESSURE: 3738200 -40.2639 98.3797 -93.0894 98.3808 -66.1814 222.977 -93.0882 222.976 -78.9541 GPRESSURE: 3738200 15.8144 -33.9845 -119.319 34.0838 -15.1442 183.106 -54.3429 232.544 -92.5328 PRESSAVG: 3738200 -13.6614 43.7799 -5.13833 43.7799 -7.48492 3.12307 -5.1384 3.12303 15.9461 GPRESSAVG: 3738200 -13.6762 44.9055 -3.42915 44.1963 -7.8801 3.65214 -5.9637 2.25202 16.216 TIMING: 3738200 CPU: 10861.7, 0.00292172/step Wall: 10861.7, 0.00292172/step, 1.02406 hours remaining, 206.671875 MB of memory in use. ENERGY: 3738200 787.3883 2035.8708 1940.4926 110.9164 -206165.2691 17835.6529 0.0000 0.0000 34468.3822 -148986.5659 301.0210 -183454.9481 -148886.8278 299.9067 -61.7998 -30.6208 557722.5960 -1.7334 -1.7801 PRESSURE: 3738400 33.8989 50.3679 -31.0421 50.3683 -196.584 54.7353 -31.0429 54.7343 -179.883 GPRESSURE: 3738400 91.4125 38.0094 -84.5126 -7.99094 -137.663 -31.6715 -51.3091 124.038 -185.758 PRESSAVG: 3738400 37.1716 26.953 -10.5252 26.9529 41.219 0.0688426 -10.5252 0.0688429 -62.1382 GPRESSAVG: 3738400 38.2174 26.1617 -11.5916 26.3486 41.1865 -0.949133 -9.44479 0.144627 -63.3729 TIMING: 3738400 CPU: 10862.3, 0.00295172/step Wall: 10862.3, 0.00295172/step, 1.03441 hours remaining, 206.671875 MB of memory in use. ENERGY: 3738400 768.0359 2058.0814 1958.2386 116.6323 -205965.2589 17649.6573 0.0000 0.0000 34329.0779 -149085.5355 299.8044 -183414.6134 -148980.2043 300.1562 -114.1891 -77.3360 557565.4368 5.4175 5.3437 PRESSURE: 3738600 5.35995 109.74 19.0957 109.741 69.1166 -245.092 19.0952 -245.09 197.242 GPRESSURE: 3738600 -6.10525 113.211 -21.2926 66.9294 86.2148 -208.594 -37.5518 -218.95 283.863 PRESSAVG: 3738600 -26.7212 -27.0013 14.5864 -27.0012 27.6094 -0.592694 14.5864 -0.592552 -12.7793 GPRESSAVG: 3738600 -27.7549 -27.9524 14.6341 -26.4522 27.3481 -0.425202 13.3016 -0.256939 -11.7916 TIMING: 3738600 CPU: 10862.9, 0.00294631/step Wall: 10862.9, 0.0029463/step, 1.03235 hours remaining, 206.671875 MB of memory in use. ENERGY: 3738600 762.9978 2100.4170 1932.6801 104.8686 -206761.9444 18143.3740 0.0000 0.0000 34304.5035 -149413.1033 299.5898 -183717.6069 -149318.2967 299.1059 90.5728 121.3241 557183.0331 -3.9637 -4.0661 PRESSURE: 3738800 18.2973 -114.694 -134.853 -114.694 -95.0053 143.385 -134.853 143.385 -144.531 GPRESSURE: 3738800 82.8556 -118.076 -70.7715 -115.955 -79.8425 164.674 -163.052 183.193 -128.561 PRESSAVG: 3738800 18.8553 3.31117 -30.5177 3.31125 42.7841 -20.9584 -30.5177 -20.9584 -22.4816 GPRESSAVG: 3738800 18.905 3.82595 -31.5443 4.91228 43.0104 -20.8185 -30.7889 -19.7792 -23.0313 TIMING: 3738800 CPU: 10863.5, 0.00294427/step Wall: 10863.5, 0.00294427/step, 1.03148 hours remaining, 206.671875 MB of memory in use. ENERGY: 3738800 732.2340 2036.3420 1931.2073 122.7112 -206337.7548 17716.9086 0.0000 0.0000 34420.6048 -149377.7469 300.6037 -183798.3517 -149279.6097 298.5706 -73.7462 -41.8493 556042.7623 13.0526 12.9614 PRESSURE: 3739000 -195.628 37.3962 -39.4318 37.3952 -66.9941 136.7 -39.4325 136.699 -77.0484 GPRESSURE: 3739000 -143.162 -21.6215 2.88064 -19.6807 3.92667 62.6936 -85.102 196.551 -102.902 PRESSAVG: 3739000 -1.82953 30.0221 56.5714 30.0222 32.343 21.4152 56.5714 21.4151 -0.455713 GPRESSAVG: 3739000 -3.47887 28.643 57.8838 29.6272 32.9295 22.0669 57.6959 21.429 0.0650101 TIMING: 3739000 CPU: 10864.1, 0.00293177/step Wall: 10864.1, 0.00293177/step, 1.02693 hours remaining, 206.671875 MB of memory in use. ENERGY: 3739000 775.4420 2060.7452 1950.9995 114.3576 -205789.3486 17589.3936 0.0000 0.0000 34153.4645 -149144.9461 298.2707 -183298.4106 -149038.2691 299.5446 -113.2235 -80.7124 556902.5594 10.0193 9.8386 PRESSURE: 3739200 -172.851 -76.7893 23.9729 -76.7887 6.21114 -68.9127 23.9727 -68.9121 73.0587 GPRESSURE: 3739200 -129.961 -67.251 -29.0079 -61.8755 21.1732 -18.9641 35.0171 -182.771 101.705 PRESSAVG: 3739200 44.57 20.4596 -4.11376 20.4595 -50.9946 -49.7903 -4.11381 -49.7902 30.7942 GPRESSAVG: 3739200 47.5718 22.0069 -6.37919 20.2071 -51.7509 -50.2512 -4.16426 -53.2802 28.8009 TIMING: 3739200 CPU: 10864.6, 0.0029118/step Wall: 10864.6, 0.0029118/step, 1.01978 hours remaining, 206.671875 MB of memory in use. ENERGY: 3739200 775.4926 2096.3091 1928.2400 106.5465 -205848.2578 17508.2916 0.0000 0.0000 34253.3151 -149180.0628 299.1427 -183433.3780 -149087.2336 299.2581 -31.1936 -2.3611 556735.8530 8.1232 8.2073 PRESSURE: 3739400 135.797 109.868 92.9102 109.866 24.4305 11.8002 92.9097 11.7995 -161.004 GPRESSURE: 3739400 126.92 124.691 202.025 104.679 37.7465 -25.9089 4.00913 45.2255 -78.8682 PRESSAVG: 3739400 -39.4121 48.1122 59.2761 48.1121 26.5906 -53.3552 59.276 -53.3551 13.9384 GPRESSAVG: 3739400 -41.3382 50.3292 60.0311 46.7076 26.9922 -54.1157 58.5849 -50.6204 15.4541 TIMING: 3739400 CPU: 10865.2, 0.00291838/step Wall: 10865.2, 0.00291838/step, 1.02192 hours remaining, 206.671875 MB of memory in use. ENERGY: 3739400 722.8078 2112.2017 1962.4999 120.5512 -206346.1306 17872.0557 0.0000 0.0000 34423.7454 -149132.2688 300.6311 -183556.0142 -149042.7949 299.4260 -0.2590 28.5993 557200.0129 0.3723 0.3694 PRESSURE: 3739600 -134.417 -88.8743 -4.8225 -88.8738 32.7864 15.348 -4.82208 15.3477 -52.2349 GPRESSURE: 3739600 -62.68 -69.5766 62.8025 -39.9089 43.803 -53.2984 -56.8098 -11.7517 -36.968 PRESSAVG: 3739600 4.38649 -8.15221 -1.13032 -8.15224 -25.2887 -21.9414 -1.13023 -21.9412 14.5392 GPRESSAVG: 3739600 4.20413 -11.5289 -1.09229 -6.86884 -25.0068 -21.951 -0.352067 -22.511 14.1049 TIMING: 3739600 CPU: 10865.8, 0.00291851/step Wall: 10865.8, 0.00291851/step, 1.0218 hours remaining, 206.671875 MB of memory in use. ENERGY: 3739600 759.5775 2105.0847 1938.3468 110.4908 -206076.5656 17787.0518 0.0000 0.0000 34102.1512 -149273.8627 297.8226 -183376.0139 -149171.1924 298.7255 -51.2886 -18.6150 556932.0487 -2.1210 -2.2326 PRESSURE: 3739800 -97.8944 -60.4308 -67.8311 -60.4306 -123.029 -73.4229 -67.8306 -73.4227 90.0818 GPRESSURE: 3739800 -93.1725 -114.849 -21.9822 -1.78955 -76.1102 -130.303 -81.1419 -69.0868 139.118 PRESSAVG: 3739800 -24.2199 25.307 8.50387 25.3069 70.4888 13.596 8.50396 13.5961 -16.1445 GPRESSAVG: 3739800 -23.709 26.5803 8.20054 26.5982 70.4641 15.6153 8.45586 13.4344 -17.015 TIMING: 3739800 CPU: 10866.4, 0.00292208/step Wall: 10866.4, 0.00292208/step, 1.02289 hours remaining, 206.671875 MB of memory in use. ENERGY: 3739800 725.5499 2060.4748 1960.0632 125.1445 -206428.6741 17972.0863 0.0000 0.0000 34255.2901 -149330.0652 299.1600 -183585.3554 -149229.9453 298.5275 -43.6137 -10.0549 559314.3699 10.0414 9.9134 PRESSURE: 3740000 56.5984 43.8744 57.6108 43.8737 -21.5185 99.0816 57.6107 99.0821 217.854 GPRESSURE: 3740000 107.848 63.8598 -12.8823 49.5807 -11.427 30.3821 92.7003 112.89 252.203 PRESSAVG: 3740000 -54.6998 27.9948 40.3186 27.9948 1.6459 -26.7185 40.3187 -26.7186 46.8252 GPRESSAVG: 3740000 -53.3021 28.4584 39.385 25.9787 -0.00201375 -26.9873 39.7615 -25.4539 47.3686 TIMING: 3740000 CPU: 10867, 0.00290659/step Wall: 10867, 0.00290659/step, 1.01731 hours remaining, 206.671875 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: 3740000 750.7978 2039.7955 1950.5439 111.1435 -206405.8441 17936.7802 0.0000 0.0000 34201.9858 -149414.7973 298.6944 -183616.7831 -149318.9315 298.9560 84.3112 116.2080 557065.5480 -2.0762 -1.9785 PRESSURE: 3740200 24.6514 149.884 168.585 149.884 -91.1639 -129.188 168.586 -129.186 245.351 GPRESSURE: 3740200 80.5639 147.943 222.338 87.784 -130.043 -123.631 203.981 -184.871 327.471 PRESSAVG: 3740200 -10.1996 -37.9974 63.3535 -37.9975 -0.666631 -10.9989 63.3535 -10.9988 80.9876 GPRESSAVG: 3740200 -11.5017 -38.1546 63.3169 -37.8071 0.628885 -10.9652 63.6635 -11.1761 80.5302 TIMING: 3740200 CPU: 10867.5, 0.00291155/step Wall: 10867.5, 0.00291155/step, 1.01888 hours remaining, 206.671875 MB of memory in use. ENERGY: 3740200 754.9225 2083.1522 1993.2641 112.6792 -206655.1415 18047.7313 0.0000 0.0000 34286.4905 -149376.9017 299.4324 -183663.3922 -149285.5556 298.6199 59.6130 92.6640 558104.8717 23.3738 23.2191 LDB: ============= START OF LOAD BALANCING ============== 10871 LDB: ============== END OF LOAD BALANCING =============== 10871 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10871 LDB: ============= START OF LOAD BALANCING ============== 10871.3 LDB: Largest compute 4820 load 0.030433 is 25.8% of average load 0.117914 LDB: Average compute 0.001722 is 1.5% of average load 0.117914 LDB: TIME 10871.3 LOAD: AVG 0.117914 MAX 0.187199 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.066 MB LDB: TIME 10871.3 LOAD: AVG 0.117914 MAX 0.187199 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: TIME 10871.3 LOAD: AVG 0.117914 MAX 0.187199 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.066 MB LDB: ============== END OF LOAD BALANCING =============== 10871.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10871.3 PRESSURE: 3740400 -87.0853 -101.782 119.025 -101.782 34.915 -70.8696 119.025 -70.8697 71.967 GPRESSURE: 3740400 -29.475 -85.35 84.9304 -45.2691 23.6123 -99.9645 170.974 -107.218 118.874 PRESSAVG: 3740400 12.9968 -11.9948 89.0949 -11.9949 10.7196 -66.7722 89.0949 -66.7722 3.73156 GPRESSAVG: 3740400 14.1281 -14.3501 90.6382 -10.5648 10.2256 -68.7246 89.4308 -66.2251 3.51875 TIMING: 3740400 CPU: 10868.1, 0.00299264/step Wall: 10868.1, 0.00299263/step, 1.04709 hours remaining, 207.730469 MB of memory in use. ENERGY: 3740400 734.4067 2107.4996 1958.7430 111.1732 -206174.3051 17791.8185 0.0000 0.0000 34039.9681 -149430.6961 297.2795 -183470.6642 -149339.2833 298.5284 6.5989 37.6704 557990.7354 9.1493 9.2908 PRESSURE: 3740600 -227.318 -93.7415 189.663 -93.7412 29.0688 -59.2089 189.663 -59.2098 35.4268 GPRESSURE: 3740600 -196.073 -69.5349 168.685 -85.7882 85.5915 -24.1449 178.325 -110.287 44.2994 PRESSAVG: 3740600 -15.6156 -32.9232 12.5406 -32.9232 -20.4871 -34.835 12.5406 -34.835 34.5372 GPRESSAVG: 3740600 -16.4365 -30.6773 10.2237 -32.3315 -20.0547 -34.6188 13.1139 -35.0829 34.9231 TIMING: 3740600 CPU: 10868.7, 0.00291742/step Wall: 10868.7, 0.00291742/step, 1.02061 hours remaining, 207.875000 MB of memory in use. ENERGY: 3740600 758.6865 2096.9494 1914.2456 116.9098 -206446.5131 17937.2103 0.0000 0.0000 34397.6639 -149224.8476 300.4034 -183622.5115 -149134.5108 298.4593 -54.2742 -22.0606 558797.7304 -0.5218 -0.5227 PRESSURE: 3740800 155.842 -0.867852 42.5671 -0.86752 99.8467 43.5391 42.5691 43.5389 107.937 GPRESSURE: 3740800 207.845 41.6286 -50.5949 -48.5381 107.202 23.9466 99.0989 108.902 140.912 PRESSAVG: 3740800 1.38797 -36.3409 23.6536 -36.3409 10.332 -24.3903 23.6536 -24.3903 5.47734 GPRESSAVG: 3740800 1.39783 -36.0069 25.4269 -36.6848 10.6787 -22.7497 19.8257 -24.3492 5.63219 TIMING: 3740800 CPU: 10869.3, 0.00291216/step Wall: 10869.3, 0.00291216/step, 1.01861 hours remaining, 207.875000 MB of memory in use. ENERGY: 3740800 790.1765 2075.3613 1954.1527 109.8595 -206606.6823 18134.8944 0.0000 0.0000 34296.0349 -149246.2030 299.5158 -183542.2379 -149156.5707 299.0729 121.2086 151.9862 557286.2048 5.7324 5.9029 PRESSURE: 3741000 -143.888 -124.889 -50.9332 -124.888 48.3205 214.661 -50.9321 214.66 199.713 GPRESSURE: 3741000 -149.741 -110.375 26.1467 -138.544 120.874 210.406 -64.0683 212.703 236.139 PRESSAVG: 3741000 6.61042 -91.9562 -21.9741 -91.9563 44.9294 -23.0153 -21.974 -23.0153 -40.391 GPRESSAVG: 3741000 7.08474 -91.703 -21.0333 -93.7361 44.8631 -24.245 -20.1691 -23.5952 -40.2164 TIMING: 3741000 CPU: 10869.9, 0.00291171/step Wall: 10869.9, 0.00291171/step, 1.01829 hours remaining, 207.875000 MB of memory in use. ENERGY: 3741000 740.8367 2027.4008 1954.1866 107.4088 -206602.0194 18013.9137 0.0000 0.0000 34290.6467 -149467.6260 299.4687 -183758.2727 -149364.9103 297.8887 34.7152 69.0903 557652.2632 3.7163 3.9105 PRESSURE: 3741200 -76.2658 -131.294 -98.9201 -131.294 20.9037 204.891 -98.9195 204.889 -26.0524 GPRESSURE: 3741200 -64.4553 -147.719 -14.2089 -116.8 149.083 170.009 -125.101 156.589 -81.1526 PRESSAVG: 3741200 -40.8302 -27.9034 -30.7629 -27.9034 17.8407 65.7119 -30.7629 65.7118 11.1713 GPRESSAVG: 3741200 -41.4778 -29.1095 -29.9072 -26.1459 18.5107 65.7562 -33.1175 64.9756 11.0621 TIMING: 3741200 CPU: 10870.5, 0.00290933/step Wall: 10870.5, 0.00290933/step, 1.0173 hours remaining, 207.875000 MB of memory in use. ENERGY: 3741200 738.1806 2148.8836 1967.7222 115.3488 -206304.8814 17975.9511 0.0000 0.0000 34024.4296 -149334.3654 297.1438 -183358.7950 -149241.8814 297.6658 -27.1382 1.1583 558396.2829 -3.9394 -3.9683 PRESSURE: 3741400 132.47 30.1989 5.91241 30.1987 -167.509 75.2937 5.91324 75.293 105.937 GPRESSURE: 3741400 124.315 24.8998 102.809 49.7946 -105.491 172.578 -99.8612 -12.8834 150.222 PRESSAVG: 3741400 5.13122 4.11583 3.04724 4.11581 16.7972 -38.1482 3.04732 -38.1482 21.4528 GPRESSAVG: 3741400 5.37769 5.23607 2.43058 3.87994 15.8576 -38.011 5.52303 -36.8549 22.1358 TIMING: 3741400 CPU: 10871.1, 0.00289991/step Wall: 10871.1, 0.00289991/step, 1.01384 hours remaining, 207.875000 MB of memory in use. ENERGY: 3741400 755.9397 2049.2498 1946.1201 103.8146 -206269.8513 17998.5253 0.0000 0.0000 34222.6834 -149193.5184 298.8752 -183416.2018 -149092.2304 298.7963 23.6326 56.3487 558347.2630 14.4604 14.4570 PRESSURE: 3741600 6.70698 -15.511 100.842 -15.5106 -68.8499 39.0799 100.843 39.0831 -69.2695 GPRESSURE: 3741600 58.8804 13.5093 107.565 -38.8228 -75.0548 82.6532 117.539 73.0446 -28.4101 PRESSAVG: 3741600 13.7158 8.51432 -29.9128 8.51443 6.95373 -75.9116 -29.9127 -75.9115 38.9851 GPRESSAVG: 3741600 14.0399 7.61446 -31.6602 9.43853 6.1291 -75.7177 -29.8641 -76.1808 39.4724 TIMING: 3741600 CPU: 10871.6, 0.00289185/step Wall: 10871.6, 0.00289185/step, 1.01086 hours remaining, 207.875000 MB of memory in use. ENERGY: 3741600 756.1861 2094.9084 1929.0921 106.9379 -206175.8999 17845.3636 0.0000 0.0000 34209.2482 -149234.1636 298.7579 -183443.4118 -149131.0075 299.1502 -43.8041 -14.8615 558675.0922 19.8849 19.8805 PRESSURE: 3741800 1.87089 -110.119 -170.06 -110.119 124.288 -145.602 -170.06 -145.602 193.073 GPRESSURE: 3741800 73.4503 -186.131 -160.14 -52.6393 144.151 -167.524 -107.428 -193.347 204.774 PRESSAVG: 3741800 -10.5989 18.0187 1.4981 18.0187 -11.0776 -22.1277 1.49806 -22.1277 1.3714 GPRESSAVG: 3741800 -11.1624 18.8943 3.33575 17.7922 -9.41431 -22.8256 0.955889 -22.0416 -0.222901 TIMING: 3741800 CPU: 10872.2, 0.00290355/step Wall: 10872.2, 0.00290355/step, 1.01479 hours remaining, 207.875000 MB of memory in use. ENERGY: 3741800 720.5620 2039.8685 1933.5608 99.0768 -206882.2626 18150.9714 0.0000 0.0000 34509.1714 -149429.0516 301.3772 -183938.2231 -149335.6950 298.7388 106.4108 140.7915 557030.2697 -6.7684 -6.9332 PRESSURE: 3742000 229.307 -112.245 -147.163 -112.243 46.9841 -149.15 -147.163 -149.15 34.2657 GPRESSURE: 3742000 278.435 -132.865 -174.337 -129.101 29.9327 -146.168 -139.822 -178.546 101.078 PRESSAVG: 3742000 13.8026 -41.7363 -64.9637 -41.7362 27.3054 3.85957 -64.9637 3.85964 4.78494 GPRESSAVG: 3742000 14.163 -42.4656 -68.0149 -39.9729 25.8916 3.31545 -63.1096 3.57563 5.30696 TIMING: 3742000 CPU: 10872.8, 0.00294256/step Wall: 10872.8, 0.00294256/step, 1.02826 hours remaining, 207.875000 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: 3742000 761.2341 2114.6833 1921.1554 116.1394 -206428.6066 18020.8119 0.0000 0.0000 34107.2979 -149387.2846 297.8675 -183494.5825 -149291.8326 298.4804 103.5188 136.4822 556764.9557 15.2977 15.1205 PRESSURE: 3742200 102.751 67.89 29.3695 67.8893 -38.8723 9.5511 29.3696 9.55248 -62.7324 GPRESSURE: 3742200 148.323 74.4575 32.579 55.2284 -3.12331 7.86338 70.8307 67.7738 -48.8138 PRESSAVG: 3742200 65.7486 -12.3698 -47.4748 -12.3698 -45.2545 -27.8671 -47.475 -27.8671 -11.8346 GPRESSAVG: 3742200 65.3417 -12.8165 -45.1214 -12.4729 -44.5323 -28.2339 -48.9903 -27.2584 -11.8713 TIMING: 3742200 CPU: 10873.4, 0.0029025/step Wall: 10873.4, 0.0029025/step, 1.0141 hours remaining, 207.875000 MB of memory in use. ENERGY: 3742200 708.7485 2084.1150 1933.4702 114.9214 -206451.4360 17918.1293 0.0000 0.0000 34186.8958 -149505.1557 298.5627 -183692.0515 -149403.3480 298.4688 0.3821 32.1285 557084.0288 2.8865 2.9794 PRESSURE: 3742400 -2.17838 -60.1514 162.651 -60.1508 14.6522 -55.239 162.653 -55.2406 -117.568 GPRESSURE: 3742400 -29.3862 -83.6179 115.904 -38.3892 106.115 -37.0461 198.391 -79.1567 -89.4971 PRESSAVG: 3742400 -7.82978 -11.0979 -10.645 -11.098 -86.9306 27.4556 -10.645 27.4556 68.7795 GPRESSAVG: 3742400 -9.05498 -10.4169 -9.10165 -12.4662 -85.2765 29.4673 -10.6796 28.0295 68.33 TIMING: 3742400 CPU: 10874, 0.00290903/step Wall: 10874, 0.00290903/step, 1.01622 hours remaining, 207.875000 MB of memory in use. ENERGY: 3742400 739.2269 2089.6276 1953.1681 108.9747 -206171.4455 17738.9628 0.0000 0.0000 34131.3496 -149410.1359 298.0776 -183541.4854 -149309.3628 298.5746 -35.0315 -4.2561 558335.2030 -8.6603 -8.6672 PRESSURE: 3742600 145.866 -88.8676 50.3271 -88.868 58.6102 56.2622 50.3268 56.2658 144.541 GPRESSURE: 3742600 192.679 -38.9237 -42.3294 -137.244 137.026 81.6091 134.75 14.5023 110.519 PRESSAVG: 3742600 -60.2585 -18.8505 -46.2609 -18.8505 -75.1678 6.45228 -46.2608 6.45232 86.1109 GPRESSAVG: 3742600 -59.5644 -19.1565 -48.7653 -20.4697 -76.0991 5.27991 -46.7575 3.72833 86.7991 TIMING: 3742600 CPU: 10874.5, 0.00289462/step Wall: 10874.5, 0.00289462/step, 1.01103 hours remaining, 207.875000 MB of memory in use. ENERGY: 3742600 732.7238 2087.3359 1960.8486 108.9863 -206345.4619 18097.6946 0.0000 0.0000 34169.2778 -149188.5949 298.4088 -183357.8727 -149091.3636 298.7568 116.3390 146.7411 558341.1042 -16.4385 -16.2881 PRESSURE: 3742800 76.5217 -123.304 -49.589 -123.303 -120.773 8.24304 -49.5896 8.24352 151.358 GPRESSURE: 3742800 110.491 -82.9353 4.61615 -99.7717 -108.304 53.4148 -168.606 13.9028 199.834 PRESSAVG: 3742800 16.5438 -24.6098 10.3659 -24.6098 -23.1802 55.2269 10.3659 55.2269 29.5125 GPRESSAVG: 3742800 16.3925 -24.6041 12.6082 -23.3413 -21.7747 58.0177 9.38402 56.4095 28.4316 TIMING: 3742800 CPU: 10875.1, 0.00290157/step Wall: 10875.1, 0.00290157/step, 1.01329 hours remaining, 207.875000 MB of memory in use. ENERGY: 3742800 738.8466 2009.5450 1960.5751 111.3235 -206276.8578 17902.4269 0.0000 0.0000 34092.0331 -149462.1075 297.7342 -183554.1406 -149365.7226 298.5647 35.7021 67.3403 557159.0824 7.6254 7.6831 PRESSURE: 3743000 171.17 -101.074 -48.8039 -101.073 199.482 12.2306 -48.8029 12.2307 124.839 GPRESSURE: 3743000 214.73 -86.5966 -13.1528 -95.3986 211.107 -13.8271 -107.046 -52.3504 167.767 PRESSAVG: 3743000 18.4219 -17.407 3.19678 -17.407 -33.5312 -3.92304 3.19674 -3.92303 6.32417 GPRESSAVG: 3743000 18.6924 -18.2109 0.0700602 -16.6636 -34.866 -5.9085 5.49853 -4.24955 7.34959 TIMING: 3743000 CPU: 10875.7, 0.00290747/step Wall: 10875.7, 0.00290747/step, 1.01519 hours remaining, 207.875000 MB of memory in use. ENERGY: 3743000 728.6788 2091.0787 1915.2462 97.1499 -206455.7749 18081.5686 0.0000 0.0000 34246.3712 -149295.6815 299.0821 -183542.0527 -149199.5775 298.1111 165.1635 197.8679 557290.5760 -2.9284 -2.9413 PRESSURE: 3743200 6.66657 -39.5198 184.609 -39.5203 5.97058 30.0173 184.61 30.0184 -114.479 GPRESSURE: 3743200 -12.6968 9.77161 232.519 -30.3848 28.2684 -24.1418 187.522 97.6264 -19.7734 PRESSAVG: 3743200 -17.8331 -0.254261 15.6913 -0.254342 -7.08746 53.3277 15.6913 53.3277 43.6345 GPRESSAVG: 3743200 -16.9819 1.40696 17.5229 -0.96366 -8.27938 54.355 14.7533 53.9532 44.0889 TIMING: 3743200 CPU: 10876.3, 0.00289555/step Wall: 10876.3, 0.00289555/step, 1.01087 hours remaining, 207.875000 MB of memory in use. ENERGY: 3743200 685.9118 2057.7165 1958.2980 104.9857 -206281.4725 17688.0579 0.0000 0.0000 34473.7506 -149312.7520 301.0678 -183786.5026 -149215.3988 298.3755 -33.9474 -1.4006 556265.6301 6.2380 6.2759 PRESSURE: 3743400 -23.5671 -9.40066 -116.039 -9.40174 -136.246 149.978 -116.039 149.98 155.941 GPRESSURE: 3743400 45.0975 -96.611 -165.484 59.4824 -116.532 36.7993 -73.8678 197.939 158.825 PRESSAVG: 3743400 -28.3591 -19.8495 38.7823 -19.8495 40.012 11.5041 38.7823 11.5041 -4.9958 GPRESSAVG: 3743400 -28.3881 -19.7451 40.6048 -19.9606 40.4658 8.93388 37.7386 12.9567 -5.13148 TIMING: 3743400 CPU: 10876.9, 0.00291014/step Wall: 10876.9, 0.00291014/step, 1.0158 hours remaining, 207.875000 MB of memory in use. ENERGY: 3743400 738.1255 2078.4586 1926.4600 114.1250 -205876.2870 17738.3858 0.0000 0.0000 34074.1921 -149206.5400 297.5784 -183280.7322 -149107.2250 298.9417 -1.2907 29.1299 557459.9850 2.2190 2.3154 PRESSURE: 3743600 -250.021 -4.21662 28.0903 -4.21703 -169.112 -28.5716 28.0905 -28.5731 -4.98755 GPRESSURE: 3743600 -185.64 49.5119 -4.12759 -36.9484 -112.935 36.7644 47.0317 -102.309 -32.9166 PRESSAVG: 3743600 19.9793 -23.5364 -14.1282 -23.5364 -40.681 -22.6328 -14.1282 -22.6328 15.291 GPRESSAVG: 3743600 19.4419 -23.4159 -15.7493 -23.1835 -40.1463 -21.0298 -12.7084 -25.0967 15.7148 TIMING: 3743600 CPU: 10877.5, 0.00291177/step Wall: 10877.5, 0.00291177/step, 1.01621 hours remaining, 207.875000 MB of memory in use. ENERGY: 3743600 749.4324 2066.2185 1952.5819 122.1734 -206233.5683 17761.0224 0.0000 0.0000 34315.3132 -149266.8265 299.6842 -183582.1397 -149167.6732 298.4143 -141.3733 -110.4971 557828.9293 -1.8036 -1.6632 PRESSURE: 3743800 118.003 21.0418 -71.1559 21.0408 -198.094 -255.276 -71.1552 -255.276 -26.806 GPRESSURE: 3743800 134.694 68.0557 -83.8223 -5.69832 -145.721 -217.987 17.5724 -283.225 -6.4911 PRESSAVG: 3743800 -22.4747 -32.3184 -1.00593 -32.3184 -60.0851 -45.9707 -1.0059 -45.9708 84.323 GPRESSAVG: 3743800 -22.1392 -31.9494 -1.82779 -32.5017 -60.0992 -43.55 -0.590769 -46.0866 84.0051 TIMING: 3743800 CPU: 10878, 0.00291318/step Wall: 10878, 0.00291318/step, 1.01654 hours remaining, 207.875000 MB of memory in use. ENERGY: 3743800 723.2685 2084.2192 1948.2065 116.6094 -206281.8532 17868.4114 0.0000 0.0000 34166.8006 -149374.3378 298.3872 -183541.1383 -149284.5128 298.8412 -35.6325 -5.8395 558424.5511 0.5877 0.5889 PRESSURE: 3744000 -172.335 -58.1699 112.647 -58.1696 111.343 -39.2556 112.648 -39.2564 14.461 GPRESSURE: 3744000 -57.2562 5.61389 107.936 -123.586 106.756 6.19213 161.163 -67.0539 9.66549 PRESSAVG: 3744000 -39.4453 -80.1948 6.0216 -80.1948 -24.8053 -58.5809 6.02158 -58.581 59.4612 GPRESSAVG: 3744000 -38.5913 -80.8604 6.81199 -82.4662 -25.6991 -60.8206 4.00994 -58.1072 59.5043 TIMING: 3744000 CPU: 10878.6, 0.00289057/step Wall: 10878.6, 0.00289057/step, 1.00849 hours remaining, 207.875000 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: 3744000 716.3337 2111.6492 1966.1277 117.5651 -206172.9104 17729.9195 0.0000 0.0000 34121.4875 -149409.8278 297.9914 -183531.3153 -149311.5320 298.2896 -15.5104 19.7217 558407.7311 -1.5965 -1.5954 PRESSURE: 3744200 22.8648 -191.557 66.3169 -191.556 -38.7448 -124.153 66.3175 -124.152 -143.207 GPRESSURE: 3744200 70.8351 -290.189 111.367 -186.173 -16.6374 -144.399 -12.54 -111.086 -123.457 PRESSAVG: 3744200 12.9087 -15.811 17.6793 -15.8109 -23.3021 -39.8565 17.6794 -39.8565 -21.2714 GPRESSAVG: 3744200 12.3642 -15.9972 17.788 -14.29 -22.8854 -40.0461 18.1125 -39.6682 -21.4136 TIMING: 3744200 CPU: 10879.2, 0.00291915/step Wall: 10879.2, 0.00291915/step, 1.0183 hours remaining, 207.875000 MB of memory in use. ENERGY: 3744200 775.4648 2048.5546 1988.8851 135.4771 -206431.0547 17838.0330 0.0000 0.0000 34404.4068 -149240.2334 300.4622 -183644.6402 -149144.3554 298.7213 -53.0291 -23.0865 557905.3168 -10.5549 -10.6449 LDB: ============= START OF LOAD BALANCING ============== 10882.7 LDB: ============== END OF LOAD BALANCING =============== 10882.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10882.7 LDB: ============= START OF LOAD BALANCING ============== 10883 LDB: Largest compute 4848 load 0.030659 is 26.0% of average load 0.117829 LDB: Average compute 0.001725 is 1.5% of average load 0.117829 LDB: TIME 10883 LOAD: AVG 0.117829 MAX 0.186801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.875 MB LDB: TIME 10883 LOAD: AVG 0.117829 MAX 0.186801 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: TIME 10883 LOAD: AVG 0.117829 MAX 0.186801 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10883 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10883 PRESSURE: 3744400 -133.066 -190.546 194.324 -190.545 67.431 58.4107 194.325 58.4118 42.0358 GPRESSURE: 3744400 -113.44 -235.953 143.951 -106.591 -17.4984 146.217 333.67 -44.7586 192.843 PRESSAVG: 3744400 -13.8244 34.5876 38.9523 34.5876 47.5779 -43.1231 38.9523 -43.123 -32.6309 GPRESSAVG: 3744400 -13.3027 35.1078 38.7552 35.164 47.0658 -40.3989 40.2492 -44.5914 -32.7532 TIMING: 3744400 CPU: 10879.8, 0.00298457/step Wall: 10879.8, 0.00298457/step, 1.04095 hours remaining, 207.101562 MB of memory in use. ENERGY: 3744400 772.0572 2109.0129 1947.0321 100.6451 -205925.4839 17678.8064 0.0000 0.0000 34208.5741 -149109.3560 298.7520 -183317.9302 -149013.2313 298.8535 -7.8665 20.6347 558316.8903 0.3742 0.3366 PRESSURE: 3744600 85.8401 -55.5194 -78.4248 -55.5199 -249.011 -128.116 -78.4252 -128.116 -17.823 GPRESSURE: 3744600 129.351 32.8206 -119.561 4.88347 -231.308 -38.5145 -117.394 -164.458 20.6684 PRESSAVG: 3744600 -50.1434 -45.4425 60.0192 -45.4424 -19.5924 -21.0598 60.0193 -21.0599 92.05 GPRESSAVG: 3744600 -49.924 -44.9746 59.349 -45.6817 -20.1703 -24.1256 59.8238 -19.5234 92.3461 TIMING: 3744600 CPU: 10880.4, 0.00292072/step Wall: 10880.4, 0.00292072/step, 1.01852 hours remaining, 207.171875 MB of memory in use. ENERGY: 3744600 739.2408 2077.6156 1993.7203 98.4290 -205868.1897 17778.3110 0.0000 0.0000 34101.2056 -149079.6675 297.8143 -183180.8730 -148991.3174 299.9230 -60.3313 -27.0962 558730.2684 7.4380 7.4172 PRESSURE: 3744800 -57.0109 61.3376 52.7415 61.3382 51.1431 -63.0684 52.7418 -63.0681 -115.106 GPRESSURE: 3744800 -108.021 -10.1338 63.0408 -46.5829 78.1562 -94.1384 38.7729 -54.4867 4.74533 PRESSAVG: 3744800 6.72238 4.37048 -22.8632 4.37047 14.2579 -0.828917 -22.8631 -0.828923 -32.9263 GPRESSAVG: 3744800 5.92452 4.42775 -21.4273 6.18789 14.7128 -0.697919 -22.5796 -1.69816 -33.2115 TIMING: 3744800 CPU: 10881, 0.00294128/step Wall: 10881, 0.00294128/step, 1.02552 hours remaining, 207.171875 MB of memory in use. ENERGY: 3744800 747.1545 2076.7379 1939.1562 112.4283 -206367.2658 17715.4601 0.0000 0.0000 34543.7545 -149232.5743 301.6792 -183776.3288 -149140.2760 299.1746 -40.3247 -8.3730 556532.0779 -3.9820 -4.1914 PRESSURE: 3745000 -221.2 -46.4324 322.748 -46.4316 21.5727 0.728723 322.747 0.729388 -141.753 GPRESSURE: 3745000 -226.048 10.3573 370.491 -110.115 91.8904 105.782 307.017 -41.5535 -114.141 PRESSAVG: 3745000 0.159766 -26.1368 30.8088 -26.1368 17.2888 -19.024 30.8089 -19.0242 -35.5905 GPRESSAVG: 3745000 -0.742154 -25.3187 29.8449 -27.3641 17.914 -16.0448 30.551 -19.8966 -35.6475 TIMING: 3745000 CPU: 10881.6, 0.00293862/step Wall: 10881.6, 0.00293862/step, 1.02444 hours remaining, 207.171875 MB of memory in use. ENERGY: 3745000 731.0265 2123.6057 1956.1534 102.9511 -206307.2978 17690.9107 0.0000 0.0000 34362.2282 -149340.4223 300.0939 -183702.6505 -149249.4993 299.5179 -113.7936 -82.7663 557631.4662 -6.0473 -6.1585 PRESSURE: 3745200 -59.7247 -29.4273 23.5819 -29.4283 -118.058 45.9086 23.5817 45.9098 -80.0774 GPRESSURE: 3745200 -24.8367 -81.6056 6.72703 69.8079 -99.484 -36.3116 82.731 24.5079 -27.1444 PRESSAVG: 3745200 0.940674 44.1899 13.6216 44.19 -27.4261 39.1989 13.6215 39.1991 -18.6791 GPRESSAVG: 3745200 1.39189 42.1351 14.3678 45.1311 -27.6429 37.1251 14.282 41.0196 -18.995 TIMING: 3745200 CPU: 10882.1, 0.00294214/step Wall: 10882.1, 0.00294214/step, 1.0255 hours remaining, 207.171875 MB of memory in use. ENERGY: 3745200 732.1171 2098.0875 1959.2691 101.4475 -206113.8403 17602.0427 0.0000 0.0000 34253.8542 -149367.0222 299.1474 -183620.8764 -149272.9663 298.8897 -85.9533 -50.4884 558414.9114 -15.0548 -15.0820 PRESSURE: 3745400 -331.79 -143.127 -69.9378 -143.125 -196.455 76.1531 -69.9383 76.1523 -32.6613 GPRESSURE: 3745400 -299.585 -56.2151 -106.001 -254.733 -157.295 98.4501 -9.94831 4.90571 6.58995 PRESSAVG: 3745400 -13.9782 7.0069 1.4151 7.00691 74.4913 -0.243073 1.41513 -0.243087 -10.2276 GPRESSAVG: 3745400 -13.5478 6.63642 1.29994 6.82027 74.3096 1.31021 0.47241 -0.821514 -10.7133 TIMING: 3745400 CPU: 10882.7, 0.00291683/step Wall: 10882.7, 0.00291683/step, 1.01651 hours remaining, 207.171875 MB of memory in use. ENERGY: 3745400 722.3541 2064.8842 1961.3251 106.4370 -205781.8992 17508.4768 0.0000 0.0000 34251.0054 -149167.4167 299.1225 -183418.4220 -149068.8197 299.4305 -186.9690 -150.0966 558582.1751 16.7618 16.6828 PRESSURE: 3745600 -286.702 -40.6572 -108.608 -40.6558 39.3252 134.949 -108.608 134.948 53.468 GPRESSURE: 3745600 -246.44 -66.7813 -95.6834 -34.8047 31.9152 212.371 -127.334 119.705 116.168 PRESSAVG: 3745600 -49.0598 42.0244 11.3757 42.0244 70.8374 -5.02837 11.3757 -5.02836 -9.01588 GPRESSAVG: 3745600 -48.9358 42.7767 9.90417 42.4867 70.1507 -6.02923 11.7503 -4.51139 -8.60264 TIMING: 3745600 CPU: 10883.3, 0.00291191/step Wall: 10883.3, 0.00291191/step, 1.01464 hours remaining, 207.171875 MB of memory in use. ENERGY: 3745600 717.4737 2073.7974 1961.6813 115.4780 -205885.7723 17642.1143 0.0000 0.0000 34098.1466 -149277.0811 297.7876 -183375.2276 -149174.1681 298.4095 -64.6361 -32.7857 557444.6967 4.2539 4.2041 PRESSURE: 3745800 183.358 -104.236 33.4389 -104.236 364.271 -7.91302 33.4396 -7.91203 -9.06939 GPRESSURE: 3745800 178.257 -41.0281 2.3267 -130.734 403.203 -49.6777 4.93855 27.5141 49.322 PRESSAVG: 3745800 -31.6147 8.16344 -5.08782 8.16342 92.2487 2.56663 -5.08783 2.56665 -50.8262 GPRESSAVG: 3745800 -32.5053 10.7607 -4.29947 6.02492 92.8328 2.99232 -4.92649 2.49387 -51.2799 TIMING: 3745800 CPU: 10883.9, 0.00291789/step Wall: 10883.9, 0.00291789/step, 1.01656 hours remaining, 207.171875 MB of memory in use. ENERGY: 3745800 736.3402 2074.8308 1950.4623 127.4873 -206599.6191 18050.7654 0.0000 0.0000 34428.3239 -149231.4093 300.6711 -183659.7332 -149143.1489 298.8463 179.5196 210.2607 555362.0984 3.2693 3.0158 PRESSURE: 3746000 -270.058 48.1019 -102.845 48.102 50.3355 187.001 -102.844 187.001 63.5572 GPRESSURE: 3746000 -273.126 143.903 -70.266 75.1729 92.1761 153.221 -55.161 208.739 124.635 PRESSAVG: 3746000 19.4637 5.93809 -17.0487 5.93817 44.1616 74.9798 -17.0488 74.9799 -46.3461 GPRESSAVG: 3746000 20.0684 3.49794 -16.6066 7.80545 42.9201 73.6474 -17.1627 74.2597 -45.4128 TIMING: 3746000 CPU: 10884.5, 0.0028974/step Wall: 10884.5, 0.0028974/step, 1.00926 hours remaining, 207.171875 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: 3746000 762.8137 2089.3680 1969.9400 115.8034 -206385.1948 17948.6667 0.0000 0.0000 34141.5915 -149357.0114 298.1670 -183498.6029 -149258.0719 299.1278 -52.0551 -18.7718 558693.4756 5.7597 5.8586 PRESSURE: 3746200 353.406 60.6705 -111.38 60.6701 -141.297 -116.495 -111.379 -116.496 -3.7068 GPRESSURE: 3746200 324.47 114.616 -58.2283 3.8509 -45.0528 -67.6742 -192.226 -64.603 20.9638 PRESSAVG: 3746200 19.4771 28.9394 19.1788 28.9393 20.2937 38.93 19.1788 38.93 -59.3857 GPRESSAVG: 3746200 19.8587 29.9095 19.3953 27.0207 20.6784 40.8498 19.1694 39.568 -60.3124 TIMING: 3746200 CPU: 10885, 0.00288909/step Wall: 10885, 0.00288909/step, 1.00621 hours remaining, 207.171875 MB of memory in use. ENERGY: 3746200 709.8941 2110.1752 1954.3662 107.9076 -206366.3564 17957.5324 0.0000 0.0000 34084.1620 -149442.3188 297.6655 -183526.4808 -149341.3239 298.5853 69.4673 100.1271 557246.6351 -6.5383 -6.5917 PRESSURE: 3746400 169.415 1.73202 5.35733 1.73265 -186.272 -43.2379 5.35796 -43.2406 31.0583 GPRESSURE: 3746400 165.94 13.2154 13.9936 12.2801 -101.307 -18.1967 -78.5232 -48.1659 41.1093 PRESSAVG: 3746400 19.456 -2.32015 11.6655 -2.32013 -81.5661 15.3673 11.6655 15.3674 61.776 GPRESSAVG: 3746400 18.1574 -4.10951 11.408 -2.46359 -80.887 14.6847 12.0548 15.4248 62.296 TIMING: 3746400 CPU: 10885.6, 0.00288942/step Wall: 10885.6, 0.00288942/step, 1.00616 hours remaining, 207.171875 MB of memory in use. ENERGY: 3746400 732.8611 2116.2332 1970.2024 112.8316 -206362.6527 17839.3434 0.0000 0.0000 34153.7411 -149437.4400 298.2731 -183591.1811 -149346.0405 298.0308 4.7338 35.2475 558248.8442 -0.1113 -0.1445 PRESSURE: 3746600 162.614 -205.261 55.864 -205.261 -99.6084 -116.889 55.8652 -116.888 422.92 GPRESSURE: 3746600 194.098 -217.013 3.27305 -192.964 -53.349 -77.0253 126.392 -116.006 440.417 PRESSAVG: 3746600 -21.6224 -9.26584 20.8711 -9.26571 -26.2038 -45.6959 20.8711 -45.6959 40.8947 GPRESSAVG: 3746600 -20.0469 -6.26852 20.9608 -9.29237 -26.9652 -44.3635 21.3238 -46.4166 40.5143 TIMING: 3746600 CPU: 10886.2, 0.00289241/step Wall: 10886.2, 0.00289241/step, 1.00704 hours remaining, 207.171875 MB of memory in use. ENERGY: 3746600 746.5258 2095.8082 1948.5602 110.0153 -206483.2106 18191.7082 0.0000 0.0000 34106.9967 -149283.5963 297.8649 -183390.5930 -149189.7841 298.9265 161.9752 193.7221 558247.1621 -2.3105 -2.1660 PRESSURE: 3746800 -8.98375 13.9905 58.0833 13.9914 235.049 -124.347 58.0846 -124.348 111.037 GPRESSURE: 3746800 80.259 29.1012 2.67659 11.444 233.675 -76.0036 60.1523 -115.68 131.255 PRESSAVG: 3746800 -26.5791 -74.14 -7.71572 -74.1399 -8.20112 -41.891 -7.71571 -41.8908 70.2829 GPRESSAVG: 3746800 -25.9906 -75.2628 -9.75809 -71.3707 -9.05615 -40.6345 -7.41829 -41.0384 70.2226 TIMING: 3746800 CPU: 10886.8, 0.00290453/step Wall: 10886.8, 0.00290453/step, 1.0111 hours remaining, 207.171875 MB of memory in use. ENERGY: 3746800 756.8385 2078.9449 1940.1001 111.2888 -206730.5236 18276.0308 0.0000 0.0000 34279.3479 -149287.9727 299.3701 -183567.3206 -149181.7382 299.0892 112.3674 148.3963 558215.2845 11.8342 11.7253 PRESSURE: 3747000 -50.1274 -16.6399 -33.1255 -16.6386 76.661 -22.7341 -33.1253 -22.7339 -48.0214 GPRESSURE: 3747000 -25.4652 -25.9787 -55.2193 117.465 153.162 63.3108 -16.5682 -52.7156 -33.3405 PRESSAVG: 3747000 -44.8713 14.7304 5.59607 14.7305 42.9398 42.185 5.59608 42.1849 -8.9182 GPRESSAVG: 3747000 -45.5381 14.0248 8.6285 13.6529 43.0889 40.2191 5.0878 40.7018 -8.30652 TIMING: 3747000 CPU: 10887.4, 0.00290078/step Wall: 10887.4, 0.00290078/step, 1.00963 hours remaining, 207.171875 MB of memory in use. ENERGY: 3747000 775.6901 2067.9337 1965.6048 115.0229 -206635.7386 18036.2013 0.0000 0.0000 34259.9496 -149415.3362 299.2007 -183675.2858 -149320.1533 298.7425 -7.1626 31.4520 557896.4320 -3.6166 -3.5853 PRESSURE: 3747200 -146.255 -10.6247 -71.1865 -10.6238 254.892 107.679 -71.1867 107.679 85.7477 GPRESSURE: 3747200 -111.846 7.80411 -44.0884 -13.7152 281.587 106.538 -146.187 105.313 115.066 PRESSAVG: 3747200 13.5692 33.1954 -3.45147 33.1954 48.3496 -0.261926 -3.45144 -0.261965 -54.4779 GPRESSAVG: 3747200 13.9453 31.2954 -4.65259 31.5726 49.4944 -0.537128 -5.11761 -0.294883 -55.8464 TIMING: 3747200 CPU: 10887.9, 0.00289236/step Wall: 10887.9, 0.00289236/step, 1.00654 hours remaining, 207.171875 MB of memory in use. ENERGY: 3747200 748.9139 2150.8370 1966.3179 120.4485 -206265.8367 17958.4718 0.0000 0.0000 34129.4651 -149191.3825 298.0611 -183320.8476 -149099.6006 299.1505 64.7947 94.9354 558873.3016 2.4803 2.5311 PRESSURE: 3747400 -89.0818 -64.9443 15.3811 -64.9436 136.827 51.2124 15.3811 51.2128 62.2734 GPRESSURE: 3747400 -58.2373 -64.991 118.81 -23.2721 128.399 35.6975 -97.2875 64.756 130.145 PRESSAVG: 3747400 -6.98059 -7.44927 -33.1221 -7.44934 9.07103 6.2772 -33.1221 6.27711 12.1228 GPRESSAVG: 3747400 -8.04685 -4.87374 -33.2276 -7.55818 8.58024 5.18592 -32.2329 6.63919 12.7528 TIMING: 3747400 CPU: 10888.5, 0.00289189/step Wall: 10888.5, 0.00289189/step, 1.00622 hours remaining, 207.171875 MB of memory in use. ENERGY: 3747400 741.2651 2103.8810 1927.5652 93.9316 -205923.6926 17861.7390 0.0000 0.0000 34199.2268 -148996.0838 298.6704 -183195.3107 -148897.6789 298.7596 36.6729 66.7688 557933.6567 4.7377 4.4287 PRESSURE: 3747600 -63.6141 -64.7932 43.9081 -64.7941 -44.0975 4.54847 43.9076 4.54803 161.766 GPRESSURE: 3747600 -28.4142 -137.585 -54.2975 -16.2767 -34.2088 -29.5554 29.0489 -15.418 212.83 PRESSAVG: 3747600 -65.4623 19.3551 62.238 19.3551 -6.74541 -43.9832 62.2379 -43.9832 73.1717 GPRESSAVG: 3747600 -66.1729 18.3154 62.1436 22.7473 -7.65528 -42.4879 62.727 -43.1025 74.5371 TIMING: 3747600 CPU: 10889.1, 0.00291293/step Wall: 10889.1, 0.00291293/step, 1.01337 hours remaining, 207.171875 MB of memory in use. ENERGY: 3747600 727.4341 2096.6198 1955.6965 106.9491 -205880.5175 17708.0878 0.0000 0.0000 34317.9180 -148967.8122 299.7069 -183285.7302 -148876.0062 299.1921 18.0181 50.0690 557493.1658 0.3214 0.2363 PRESSURE: 3747800 -151.738 130.499 -36.854 130.5 -83.489 206.383 -36.8539 206.381 -247.215 GPRESSURE: 3747800 -162.901 176.723 -95.7593 42.9907 -36.7814 154.29 -29.9241 145.518 -194.291 PRESSAVG: 3747800 0.382931 -4.474 -22.3472 -4.474 -9.65736 -8.98434 -22.3472 -8.98427 0.0599923 GPRESSAVG: 3747800 1.36768 -3.27487 -21.3075 -6.45716 -9.36119 -10.2661 -22.2835 -8.76974 -0.858086 TIMING: 3747800 CPU: 10889.7, 0.00293191/step Wall: 10889.7, 0.00293191/step, 1.01981 hours remaining, 207.171875 MB of memory in use. ENERGY: 3747800 748.3889 2088.8205 1967.3285 102.3928 -205733.5590 17473.1903 0.0000 0.0000 34297.5413 -149055.8967 299.5290 -183353.4380 -148964.7280 299.5382 -160.8141 -131.3243 559086.8049 -3.0715 -2.9505 PRESSURE: 3748000 -25.8186 106.578 -255.347 106.577 117.436 14.7909 -255.347 14.7896 -270.056 GPRESSURE: 3748000 5.36975 110.497 -309.134 99.7873 157.309 10.6303 -148.565 34.0308 -228.543 PRESSAVG: 3748000 -6.67586 11.877 -14.4732 11.8769 -41.0731 -20.2773 -14.4732 -20.2772 30.3031 GPRESSAVG: 3748000 -7.09587 10.328 -16.083 11.3553 -41.0241 -18.3379 -14.2155 -21.4978 30.6518 TIMING: 3748000 CPU: 10890.3, 0.00292913/step Wall: 10890.3, 0.00292913/step, 1.01869 hours remaining, 207.171875 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: 3748000 761.9669 2075.0166 1965.1625 127.0369 -206049.1680 17804.5623 0.0000 0.0000 34192.2464 -149123.1764 298.6094 -183315.4228 -149022.6130 299.0491 -59.4796 -21.9549 558193.8282 -5.8153 -5.8227 PRESSURE: 3748200 -96.7648 74.1205 -20.3305 74.1207 -179.165 45.695 -20.3315 45.6949 -36.1359 GPRESSURE: 3748200 -76.5829 157.852 -23.8207 62.0956 -137.782 -81.9126 -26.2268 66.1843 -19.5126 PRESSAVG: 3748200 -38.1471 21.5489 -56.2986 21.5488 -1.38357 -24.4505 -56.2986 -24.4505 27.8363 GPRESSAVG: 3748200 -37.2967 20.5681 -57.2096 22.6121 -0.71736 -26.4619 -58.2142 -22.862 26.178 TIMING: 3748200 CPU: 10890.9, 0.00291026/step Wall: 10890.9, 0.00291026/step, 1.01196 hours remaining, 207.171875 MB of memory in use. ENERGY: 3748200 734.4623 2065.4645 1958.2112 122.0924 -205798.8027 17606.9135 0.0000 0.0000 34225.3277 -149086.3310 298.8983 -183311.6588 -148986.4028 299.2462 -104.0218 -77.9592 557314.4768 -3.8981 -3.9453 LDB: ============= START OF LOAD BALANCING ============== 10894.3 LDB: ============== END OF LOAD BALANCING =============== 10894.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10894.3 LDB: ============= START OF LOAD BALANCING ============== 10894.6 LDB: Largest compute 4848 load 0.030791 is 26.1% of average load 0.117858 LDB: Average compute 0.001728 is 1.5% of average load 0.117858 LDB: TIME 10894.6 LOAD: AVG 0.117858 MAX 0.186499 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 10894.6 LOAD: AVG 0.117858 MAX 0.186499 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: TIME 10894.6 LOAD: AVG 0.117858 MAX 0.186499 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10894.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10894.6 PRESSURE: 3748400 30.6793 -40.158 -12.9043 -40.1578 -361.541 132.606 -12.9044 132.606 -36.7215 GPRESSURE: 3748400 9.46408 1.79458 66.0498 -17.4156 -273.222 110.932 -103.684 144.161 -3.54976 PRESSAVG: 3748400 -21.6651 31.1605 27.0312 31.1605 32.7403 -44.1859 27.0312 -44.1859 21.6658 GPRESSAVG: 3748400 -21.9759 29.695 29.0918 34.5676 33.1288 -41.5497 27.4662 -46.9303 22.2078 TIMING: 3748400 CPU: 10891.5, 0.00296501/step Wall: 10891.5, 0.00296501/step, 1.03084 hours remaining, 207.730469 MB of memory in use. ENERGY: 3748400 722.4240 2090.7948 1949.1716 120.6103 -206017.8182 17666.3494 0.0000 0.0000 34264.8125 -149203.6556 299.2431 -183468.4681 -149113.7034 298.3641 -122.5277 -89.1025 558149.4562 10.9137 11.1203 PRESSURE: 3748600 142.211 -81.5629 53.9853 -81.5636 42.8988 -30.8073 53.9855 -30.8065 -50.5865 GPRESSURE: 3748600 161.888 -48.4403 107.405 -87.367 23.1114 -77.2457 64.7819 -52.8324 52.8584 PRESSAVG: 3748600 2.32414 31.6158 16.4962 31.6157 6.70132 -35.7476 16.4961 -35.7476 18.1434 GPRESSAVG: 3748600 2.28529 35.8004 17.0877 28.639 6.20933 -39.0616 15.7394 -33.4131 18.6279 TIMING: 3748600 CPU: 10892, 0.00291005/step Wall: 10892, 0.00291005/step, 1.01156 hours remaining, 207.933594 MB of memory in use. ENERGY: 3748600 766.4160 2158.0766 1939.1997 103.1745 -206461.1484 17967.2049 0.0000 0.0000 34317.1661 -149209.9105 299.7003 -183527.0766 -149105.5332 299.1071 44.8409 79.2860 556924.0382 9.0563 9.0408 PRESSURE: 3748800 -140.521 -84.0354 158.658 -84.0349 334.833 3.58244 158.658 3.58323 133.672 GPRESSURE: 3748800 -72.6847 -85.7696 78.7457 1.34555 338.018 116.915 199.824 -71.7369 149.789 PRESSAVG: 3748800 -38.8478 -27.9814 22.9484 -27.9815 35.1024 9.85761 22.9484 9.85759 -1.86052 GPRESSAVG: 3748800 -38.2396 -30.5005 22.1469 -27.5477 33.515 11.7297 26.11 7.95358 -1.0627 TIMING: 3748800 CPU: 10892.6, 0.00291738/step Wall: 10892.6, 0.00291738/step, 1.01395 hours remaining, 207.933594 MB of memory in use. ENERGY: 3748800 758.5856 2066.5798 1936.2623 112.7456 -206358.0892 18003.9803 0.0000 0.0000 34244.8643 -149235.0713 299.0689 -183479.9356 -149130.6544 299.0319 109.3281 138.3742 558229.2413 -1.8686 -1.9291 PRESSURE: 3749000 206.75 11.7181 -52.1336 11.7186 69.1605 -144.955 -52.1332 -144.957 196.203 GPRESSURE: 3749000 236.632 -51.7437 -52.2506 -19.0376 78.897 -96.4441 17.9068 -55.8288 256.423 PRESSAVG: 3749000 18.5834 -7.93273 -5.3219 -7.93275 23.8826 -33.8383 -5.32189 -33.8384 35.7397 GPRESSAVG: 3749000 17.9052 -5.82302 -5.55675 -10.2376 25.0309 -33.3814 -5.27831 -34.8961 35.2505 TIMING: 3749000 CPU: 10893.2, 0.00290668/step Wall: 10893.2, 0.00290668/step, 1.01007 hours remaining, 207.933594 MB of memory in use. ENERGY: 3749000 705.4462 2079.5549 1966.1362 105.2929 -206085.1209 17978.8604 0.0000 0.0000 34176.9220 -149072.9082 298.4756 -183249.8302 -148971.0410 299.1501 157.3712 190.6509 558886.1824 26.0686 26.0622 PRESSURE: 3749200 26.1624 86.3924 60.3683 86.3927 5.86302 -65.5253 60.3686 -65.5256 -89.1804 GPRESSURE: 3749200 46.2277 87.9123 14.3056 59.1112 14.9506 -88.879 -17.5463 -81.3636 -24.0838 PRESSAVG: 3749200 -3.31606 -30.6618 52.1448 -30.6618 10.9805 -28.7463 52.1448 -28.7465 -27.1742 GPRESSAVG: 3749200 -2.1211 -33.173 50.9504 -27.2249 10.0937 -29.2199 51.8469 -27.1919 -27.6723 TIMING: 3749200 CPU: 10893.8, 0.00292158/step Wall: 10893.8, 0.00292158/step, 1.01509 hours remaining, 207.933594 MB of memory in use. ENERGY: 3749200 715.5096 2060.7316 1962.6854 116.5298 -205987.1061 17743.3725 0.0000 0.0000 34323.4570 -149064.8202 299.7553 -183388.2772 -148971.6750 299.2499 -19.0517 12.3649 557820.7716 -6.5032 -6.5666 PRESSURE: 3749400 -175.238 5.28936 28.0486 5.28973 136.652 -3.01465 28.0489 -3.01314 -202.113 GPRESSURE: 3749400 -147.976 -48.9176 71.5515 44.1149 150.893 -77.9585 39.7298 -34.3028 -152.881 PRESSAVG: 3749400 -33.1734 -38.9044 2.78075 -38.9043 50.0671 -35.7146 2.78062 -35.7146 16.1204 GPRESSAVG: 3749400 -33.3564 -36.0902 2.5079 -40.5295 49.6094 -34.3764 3.19049 -35.2124 17.3787 TIMING: 3749400 CPU: 10894.4, 0.0029226/step Wall: 10894.4, 0.0029226/step, 1.01528 hours remaining, 207.933594 MB of memory in use. ENERGY: 3749400 764.9637 2101.6752 1976.5314 111.0350 -205830.6625 17665.2496 0.0000 0.0000 34083.2995 -149127.9082 297.6579 -183211.2077 -149039.6499 299.5563 -80.2329 -49.9883 558720.0895 11.0047 11.2106 PRESSURE: 3749600 -254.069 -75.9327 88.8814 -75.9332 90.4674 42.3655 88.8815 42.3654 129.906 GPRESSURE: 3749600 -205.341 -18.8312 140.888 -99.6212 172.007 -59.384 55.4983 136.695 87.6185 PRESSAVG: 3749600 -12.4231 -10.8665 -12.8358 -10.8665 11.962 5.77591 -12.8359 5.77602 -30.0112 GPRESSAVG: 3749600 -13.5922 -11.7176 -12.5326 -9.58462 12.9444 4.13977 -13.7047 7.70703 -30.8108 TIMING: 3749600 CPU: 10895, 0.00290895/step Wall: 10895, 0.00290895/step, 1.01038 hours remaining, 207.933594 MB of memory in use. ENERGY: 3749600 737.2119 2058.5225 1955.9008 123.1390 -206088.6453 17732.7660 0.0000 0.0000 34283.0954 -149198.0096 299.4028 -183481.1050 -149100.2527 298.8055 -11.2318 18.0949 558367.7115 -10.1574 -10.4862 PRESSURE: 3749800 177.27 124.461 37.6156 124.461 259.635 -16.6009 37.615 -16.6005 -179.533 GPRESSURE: 3749800 178.104 174.102 76.6329 141.004 259.25 -22.7279 8.22303 -70.0357 -85.7648 PRESSAVG: 3749800 -22.048 11.1283 -3.1153 11.1283 -30.5861 28.8096 -3.11543 28.8097 49.4525 GPRESSAVG: 3749800 -22.5233 11.4055 -1.02303 10.8139 -29.8261 29.3431 -3.91613 26.5968 48.799 TIMING: 3749800 CPU: 10895.5, 0.00292282/step Wall: 10895.5, 0.00292282/step, 1.01503 hours remaining, 207.933594 MB of memory in use. ENERGY: 3749800 710.2057 2109.6871 1963.6148 111.3580 -206422.7216 17929.5633 0.0000 0.0000 34418.4105 -149179.8822 300.5845 -183598.2927 -149078.1365 298.9434 85.7906 117.1962 558084.8662 -1.0605 -1.1835 PRESSURE: 3750000 -132.184 -126.133 214.532 -126.134 -38.607 80.9947 214.532 80.9934 13.5828 GPRESSURE: 3750000 -53.7286 -47.924 147.245 -55.674 -26.9297 32.7235 184.755 113.709 35.8482 PRESSAVG: 3750000 -16.5172 35.9389 36.5783 35.9388 72.3457 2.74586 36.5784 2.74596 -27.5393 GPRESSAVG: 3750000 -15.729 35.6316 37.0277 34.4286 71.1818 3.66251 38.9922 3.14671 -26.9901 TIMING: 3750000 CPU: 10896.1, 0.00290408/step Wall: 10896.1, 0.00290408/step, 1.00836 hours remaining, 207.933594 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: 3750000 736.3203 2136.9352 1954.7439 124.1654 -206065.3627 17749.4772 0.0000 0.0000 34107.1031 -149256.6175 297.8658 -183363.7206 -149167.0607 299.1222 -52.4029 -14.9367 558992.5661 9.4297 9.4876 PRESSURE: 3750200 173.799 -145.439 104.909 -145.439 267.332 -31.2725 104.909 -31.2721 -43.9143 GPRESSURE: 3750200 188.893 -105.444 118.575 -174.258 279.769 -97.599 124.631 -79.4065 9.01893 PRESSAVG: 3750200 19.6471 -15.6795 57.0683 -15.6795 -43.974 -7.42108 57.0683 -7.42088 30.0775 GPRESSAVG: 3750200 19.1275 -16.9381 54.6771 -12.8768 -44.5434 -9.42012 55.5307 -5.88019 30.8424 TIMING: 3750200 CPU: 10896.7, 0.00291708/step Wall: 10896.7, 0.00291708/step, 1.01271 hours remaining, 207.933594 MB of memory in use. ENERGY: 3750200 738.0128 2100.9598 1941.3251 130.2915 -206385.1832 18120.3797 0.0000 0.0000 33957.6287 -149396.5856 296.5604 -183354.2143 -149307.1533 298.8898 132.4056 159.2270 557946.6606 1.9168 1.8088 PRESSURE: 3750400 170.538 -122.875 -21.0318 -122.876 40.2355 -36.6111 -21.0323 -36.6105 40.4381 GPRESSURE: 3750400 235.616 -15.054 -29.5848 -112.785 -10.3672 -91.5219 29.6748 -19.2838 105.211 PRESSAVG: 3750400 -36.7259 -0.524459 -18.1778 -0.524448 39.7428 14.8994 -18.1777 14.8993 -18.2378 GPRESSAVG: 3750400 -37.5743 1.15696 -18.8283 -2.05285 40.154 16.4429 -17.541 12.8746 -17.9268 TIMING: 3750400 CPU: 10897.3, 0.00292814/step Wall: 10897.3, 0.00292814/step, 1.01639 hours remaining, 207.933594 MB of memory in use. ENERGY: 3750400 741.6974 2107.6307 1953.3968 94.1485 -206241.5005 17833.7032 0.0000 0.0000 34132.9065 -149378.0174 298.0912 -183510.9239 -149279.9563 298.4442 83.7372 110.1535 556767.8547 -5.0737 -5.1157 PRESSURE: 3750600 -353.046 7.25664 -21.5154 7.25728 -162.968 -206.928 -21.5154 -206.927 -297.959 GPRESSURE: 3750600 -317.725 55.0162 -66.634 50.7619 -143.729 -151.37 -39.7515 -223.509 -242.798 PRESSAVG: 3750600 -18.2936 -11.786 19.4973 -11.786 58.0961 -30.4144 19.4973 -30.4145 -37.877 GPRESSAVG: 3750600 -18.334 -13.0919 21.4225 -12.8029 58.2793 -29.4943 18.3776 -31.1855 -38.5234 TIMING: 3750600 CPU: 10897.9, 0.00291341/step Wall: 10897.9, 0.00291341/step, 1.01112 hours remaining, 207.933594 MB of memory in use. ENERGY: 3750600 772.4161 2100.4805 1950.9842 107.3355 -205707.9976 17395.2997 0.0000 0.0000 34114.0780 -149267.4036 297.9267 -183381.4816 -149169.1480 298.3718 -271.3245 -234.7507 558911.6043 0.6418 0.4740 PRESSURE: 3750800 65.6899 -69.3802 -125.656 -69.3792 31.2486 -63.1379 -125.656 -63.1386 -156.648 GPRESSURE: 3750800 22.9579 -18.4239 -9.36565 -88.6215 60.8888 -57.6508 -113.964 -112.602 -44.399 PRESSAVG: 3750800 2.60002 -21.4194 -22.3568 -21.4194 -3.02159 -13.9701 -22.3567 -13.9701 1.67891 GPRESSAVG: 3750800 3.51163 -22.3576 -24.8987 -20.161 -4.18412 -15.6971 -19.8508 -11.9489 2.04478 TIMING: 3750800 CPU: 10898.5, 0.00293241/step Wall: 10898.5, 0.00293241/step, 1.01754 hours remaining, 207.933594 MB of memory in use. ENERGY: 3750800 773.3422 2090.1778 1935.7874 114.3565 -205928.2311 17841.4085 0.0000 0.0000 33978.4794 -149194.6792 296.7425 -183173.1587 -149101.8232 299.3342 -19.9033 13.1492 559261.8315 0.4191 0.4574 PRESSURE: 3751000 -115.51 62.8855 55.319 62.885 111.11 48.1645 55.318 48.1636 -116.316 GPRESSURE: 3751000 -62.874 58.933 41.5574 155.426 163.051 -68.306 40.6735 92.7737 -124.143 PRESSAVG: 3751000 -54.3316 -69.8272 21.3952 -69.8273 19.8625 27.7355 21.3951 27.7355 -16.0443 GPRESSAVG: 3751000 -55.4812 -66.6044 22.5998 -71.3904 20.5673 27.1936 20.3507 27.8055 -15.5013 TIMING: 3751000 CPU: 10899, 0.00295367/step Wall: 10899, 0.00295367/step, 1.02476 hours remaining, 207.933594 MB of memory in use. ENERGY: 3751000 757.1090 2122.1822 1941.2794 107.5262 -206310.9418 17791.9764 0.0000 0.0000 34381.4521 -149209.4165 300.2618 -183590.8686 -149118.7665 298.2717 -40.2388 -7.9887 557398.7296 -16.8378 -16.8051 PRESSURE: 3751200 199.702 151.255 -82.4919 151.256 138.47 162.504 -82.4927 162.503 117.928 GPRESSURE: 3751200 198.435 115.184 5.43117 133.698 184.14 143.738 -118.789 76.532 171.284 PRESSAVG: 3751200 8.92535 -42.5194 -41.8945 -42.5194 -26.6 50.185 -41.8944 50.1849 39.2998 GPRESSAVG: 3751200 10.1117 -43.6859 -41.1183 -42.4695 -27.4856 52.4255 -43.2087 47.8799 39.1103 TIMING: 3751200 CPU: 10899.6, 0.00293431/step Wall: 10899.6, 0.00293431/step, 1.01788 hours remaining, 207.933594 MB of memory in use. ENERGY: 3751200 722.2062 2079.6125 1963.3688 119.4594 -206343.6900 17961.5199 0.0000 0.0000 34170.5268 -149326.9965 298.4197 -183497.5233 -149224.8779 298.5882 152.0333 184.6196 557632.4101 7.2084 7.2454 PRESSURE: 3751400 27.5206 -12.6374 45.5437 -12.6364 -64.4806 -121.669 45.5448 -121.669 21.929 GPRESSURE: 3751400 51.5838 66.6927 16.6286 -33.8919 -18.7391 -29.0181 132.465 -126.171 39.7957 PRESSAVG: 3751400 11.508 0.727334 12.4587 0.727366 -10.1689 -25.0579 12.4588 -25.058 -17.2171 GPRESSAVG: 3751400 11.0169 -0.76669 11.768 2.65776 -8.62544 -23.1257 15.3932 -25.9445 -18.7204 TIMING: 3751400 CPU: 10900.2, 0.00293853/step Wall: 10900.2, 0.00293853/step, 1.01918 hours remaining, 207.933594 MB of memory in use. ENERGY: 3751400 739.1415 2088.9042 1939.2284 107.1634 -206332.8306 17824.7108 0.0000 0.0000 34311.1992 -149322.4830 299.6482 -183633.6822 -149230.8216 298.7568 -5.0103 24.2135 558449.1867 -5.2926 -5.4430 PRESSURE: 3751600 -227.623 24.6877 -13.944 24.6878 -108.946 -145.086 -13.9446 -145.084 157.875 GPRESSURE: 3751600 -128.882 22.3568 1.70441 -74.4292 -108.657 -81.4386 -49.7525 -180.102 168.014 PRESSAVG: 3751600 -48.8336 42.5233 -18.1736 42.5233 -29.2191 17.145 -18.1737 17.1451 39.3366 GPRESSAVG: 3751600 -47.5581 42.3027 -18.4686 42.9719 -30.8167 14.884 -19.4474 20.2042 39.5968 TIMING: 3751600 CPU: 10900.8, 0.00294704/step Wall: 10900.8, 0.00294704/step, 1.02197 hours remaining, 207.933594 MB of memory in use. ENERGY: 3751600 732.0068 2111.2274 1931.7910 104.6041 -206173.2844 17737.7115 0.0000 0.0000 34180.7518 -149375.1919 298.5090 -183555.9437 -149280.3726 298.8748 -59.5646 -23.1750 556181.3913 -12.9054 -12.9260 PRESSURE: 3751800 251.088 73.2262 -20.9605 73.2275 -254.945 -36.3046 -20.9611 -36.3042 -307.405 GPRESSURE: 3751800 149.628 37.3262 -64.6038 81.9104 -94.7207 4.04773 27.4282 -66.9089 -276.932 PRESSAVG: 3751800 -20.575 20.6573 2.56087 20.6573 -33.0636 9.1951 2.56077 9.19521 22.9687 GPRESSAVG: 3751800 -22.074 21.4557 3.3114 18.8719 -32.5229 9.5451 2.34592 7.95403 23.5728 TIMING: 3751800 CPU: 10901.4, 0.00290753/step Wall: 10901.4, 0.00290753/step, 1.00811 hours remaining, 207.933594 MB of memory in use. ENERGY: 3751800 764.6697 2088.7561 1950.5637 110.5582 -206269.1836 17678.7353 0.0000 0.0000 34217.1380 -149458.7625 298.8268 -183675.9006 -149370.9591 298.7054 -103.7540 -74.0083 555841.2768 -10.2233 -10.3414 PRESSURE: 3752000 170.509 141.883 52.9014 141.885 -157.409 -149.76 52.902 -149.759 60.3562 GPRESSURE: 3752000 216.721 160.584 -38.1756 103.523 -82.4724 -157.743 87.54 -83.8388 28.946 PRESSAVG: 3752000 43.2784 34.717 4.02283 34.717 -16.0061 3.01411 4.02278 3.01416 20.214 GPRESSAVG: 3752000 43.9872 34.7959 4.89415 35.6331 -15.2597 3.88044 5.66951 1.7337 19.0669 TIMING: 3752000 CPU: 10902, 0.00291276/step Wall: 10902, 0.00291276/step, 1.00976 hours remaining, 207.933594 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: 3752000 738.1736 2059.1747 1947.7496 110.1189 -206361.0945 17941.7271 0.0000 0.0000 34180.0550 -149384.0955 298.5029 -183564.1505 -149289.7558 298.4999 24.4853 54.3981 556804.8742 15.8288 15.9315 PRESSURE: 3752200 -7.92607 30.4754 -25.7395 30.4758 106.355 63.5313 -25.7402 63.5307 110.604 GPRESSURE: 3752200 21.4211 -57.5688 -102.206 101.709 125.584 100.834 -12.6191 73.8047 158.304 PRESSAVG: 3752200 30.0281 48.441 15.3998 48.441 -59.858 -47.8337 15.3998 -47.8336 68.0189 GPRESSAVG: 3752200 30.3763 48.6791 14.8595 48.0315 -60.5337 -48.5382 13.4339 -46.4508 68.2805 TIMING: 3752200 CPU: 10902.6, 0.00293661/step Wall: 10902.6, 0.00293661/step, 1.01786 hours remaining, 207.933594 MB of memory in use. ENERGY: 3752200 716.7659 2100.8678 1925.8040 106.6985 -206186.4610 17982.5567 0.0000 0.0000 34060.8153 -149292.9528 297.4616 -183353.7681 -149194.4122 298.7014 69.6774 101.7699 557318.0179 12.7297 12.7077 LDB: ============= START OF LOAD BALANCING ============== 10906 LDB: ============== END OF LOAD BALANCING =============== 10906 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10906 LDB: ============= START OF LOAD BALANCING ============== 10906.3 LDB: Largest compute 4848 load 0.031720 is 26.9% of average load 0.117874 LDB: Average compute 0.001730 is 1.5% of average load 0.117874 LDB: TIME 10906.3 LOAD: AVG 0.117874 MAX 0.183673 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.504 MB LDB: TIME 10906.3 LOAD: AVG 0.117874 MAX 0.183673 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: TIME 10906.3 LOAD: AVG 0.117874 MAX 0.183673 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: ============== END OF LOAD BALANCING =============== 10906.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10906.3 PRESSURE: 3752400 153.602 -83.0339 -109.029 -83.0339 -7.88852 89.0722 -109.028 89.0729 301.689 GPRESSURE: 3752400 146.082 -133.92 -50.127 -18.1421 70.1093 92.0428 -101.548 36.2877 325.937 PRESSAVG: 3752400 -36.6301 31.1647 23.692 31.1647 -4.03387 -37.3115 23.692 -37.3114 59.691 GPRESSAVG: 3752400 -36.8855 29.8907 24.3562 31.5747 -4.20304 -40.0807 26.5404 -36.9405 60.3324 TIMING: 3752400 CPU: 10903.2, 0.00296208/step Wall: 10903.2, 0.00296208/step, 1.02652 hours remaining, 207.582031 MB of memory in use. ENERGY: 3752400 720.5670 2124.3850 1941.6730 100.6388 -206444.9362 18015.0466 0.0000 0.0000 34250.9524 -149291.6735 299.1221 -183542.6258 -149197.7893 298.5987 149.1339 180.7096 557397.4721 6.3423 6.4146 PRESSURE: 3752600 66.2414 14.2842 -39.8463 14.2849 114.873 -67.2735 -39.8467 -67.2755 -176.831 GPRESSURE: 3752600 93.0205 79.1378 -85.723 53.9273 98.3676 -69.7998 -40.474 -60.7903 -95.4862 PRESSAVG: 3752600 -30.8698 -17.7074 8.84265 -17.7074 -28.1549 -13.5529 8.84262 -13.553 35.9354 GPRESSAVG: 3752600 -30.0243 -16.1698 7.85464 -18.2285 -27.5692 -11.1443 7.2536 -14.1022 34.4815 TIMING: 3752600 CPU: 10903.7, 0.0029326/step Wall: 10903.7, 0.0029326/step, 1.01615 hours remaining, 207.785156 MB of memory in use. ENERGY: 3752600 739.8703 2090.0318 1953.6738 118.8718 -206178.2642 17832.6040 0.0000 0.0000 34407.5786 -149035.6340 300.4899 -183443.2125 -148941.6387 299.4728 1.4278 31.9673 558876.5725 -7.6965 -7.7040 PRESSURE: 3752800 -30.31 50.0565 -105.98 50.0571 152.654 -124.119 -105.98 -124.12 17.5204 GPRESSURE: 3752800 18.0711 -52.4048 -151.933 67.7096 184.382 -153.461 -68.6649 -112.757 33.8636 PRESSAVG: 3752800 -12.1334 58.4871 -10.6842 58.4871 -20.8215 15.7164 -10.6841 15.7164 31.2417 GPRESSAVG: 3752800 -12.9716 57.8033 -10.9122 59.875 -20.209 16.8133 -10.4596 16.92 31.4489 TIMING: 3752800 CPU: 10904.3, 0.00292/step Wall: 10904.3, 0.00292/step, 1.01162 hours remaining, 207.925781 MB of memory in use. ENERGY: 3752800 770.9357 2043.2687 1970.5126 117.0805 -206206.9691 17974.8975 0.0000 0.0000 34017.1077 -149313.1664 297.0799 -183330.2741 -149219.4974 298.4728 46.6215 78.7722 558190.4132 -0.5711 -0.5772 PRESSURE: 3753000 86.9941 -10.3759 -103.446 -10.376 -10.1775 74.9279 -103.445 74.93 -143.613 GPRESSURE: 3753000 107.685 105.154 -171.196 -105.834 70.7827 103.968 -151.062 56.984 -150.37 PRESSAVG: 3753000 -52.8757 -20.554 -4.89604 -20.554 10.4713 2.48865 -4.89596 2.48877 13.0813 GPRESSAVG: 3753000 -51.8281 -19.98 -4.52936 -23.3845 9.91718 1.08219 -5.90684 2.33482 12.8078 TIMING: 3753000 CPU: 10904.9, 0.0028883/step Wall: 10904.9, 0.0028883/step, 1.00048 hours remaining, 207.925781 MB of memory in use. ENERGY: 3753000 724.9763 2088.7166 1947.3459 114.7182 -205855.0347 17707.0177 0.0000 0.0000 33985.5158 -149286.7441 296.8040 -183272.2599 -149191.4733 297.7532 -22.2654 9.3658 558634.6696 -9.7744 -9.7010 PRESSURE: 3753200 -59.8061 -104.905 82.8955 -104.905 38.7181 -117.304 82.8972 -117.304 -30.7922 GPRESSURE: 3753200 -7.23878 -153.579 56.4264 32.8818 73.5907 -115.897 109.376 -103.018 -13.9393 PRESSAVG: 3753200 23.7723 -32.8276 8.34212 -32.8276 -15.6349 -14.7363 8.34212 -14.7363 36.3821 GPRESSAVG: 3753200 22.6819 -35.8335 6.72189 -31.5301 -15.0039 -14.4554 9.44864 -15.0056 37.2214 TIMING: 3753200 CPU: 10905.5, 0.00289147/step Wall: 10905.5, 0.00289147/step, 1.00141 hours remaining, 207.925781 MB of memory in use. ENERGY: 3753200 746.3647 2068.9281 1965.1192 127.9329 -206361.3039 17941.9502 0.0000 0.0000 34174.3174 -149336.6914 298.4528 -183511.0088 -149240.4430 298.6545 -17.2934 17.4709 557616.4653 14.8399 14.9665 PRESSURE: 3753400 225.869 -23.6432 189.815 -23.6437 125.207 -33.229 189.815 -33.2291 26.1272 GPRESSURE: 3753400 248.857 -87.1923 215.813 -60.2232 141.327 -35.6466 192.206 -73.7185 73.8652 PRESSAVG: 3753400 33.8148 22.5064 44.2437 22.5065 -60.9967 -4.18237 44.2436 -4.1823 41.3541 GPRESSAVG: 3753400 33.4584 27.2231 46.9641 19.064 -59.7192 -3.15251 43.8277 -4.3709 40.6016 TIMING: 3753400 CPU: 10906.1, 0.00290905/step Wall: 10906.1, 0.00290905/step, 1.00734 hours remaining, 207.925781 MB of memory in use. ENERGY: 3753400 720.5715 2080.9593 1941.4838 121.0762 -206526.0429 18087.1781 0.0000 0.0000 34261.5662 -149313.2079 299.2148 -183574.7741 -149215.7857 298.4574 125.7344 154.6832 558444.5746 4.7241 4.7803 PRESSURE: 3753600 107.462 -50.1036 93.1397 -50.1054 -153.168 46.3213 93.1392 46.3213 -137.924 GPRESSURE: 3753600 110.301 -40.1572 183.547 -17.679 -112.016 -34.3568 21.8913 31.1863 -93.7685 PRESSAVG: 3753600 3.26243 -24.6529 35.3606 -24.6529 -8.46899 33.933 35.3606 33.933 -13.4644 GPRESSAVG: 3753600 3.3613 -28.6303 33.9519 -20.7883 -8.81548 33.4712 34.3551 34.8844 -12.6559 TIMING: 3753600 CPU: 10906.6, 0.00290956/step Wall: 10906.6, 0.00290956/step, 1.00736 hours remaining, 207.925781 MB of memory in use. ENERGY: 3753600 737.3530 2121.8735 1962.5518 100.0426 -206398.5329 17776.2334 0.0000 0.0000 34252.4922 -149447.9865 299.1355 -183700.4787 -149351.2710 298.0235 -61.2101 -31.8278 558912.4034 -6.2237 -6.0367 PRESSURE: 3753800 115.454 137.646 107.322 137.646 -93.7717 -24.2353 107.322 -24.2364 123.843 GPRESSURE: 3753800 126.797 140.899 52.8606 81.4385 -52.356 -5.27765 96.6308 48.5346 169.825 PRESSAVG: 3753800 55.8428 8.65541 -18.1142 8.65526 -66.7847 -54.16 -18.1142 -54.16 63.865 GPRESSAVG: 3753800 56.5629 10.3508 -18.0914 7.24813 -67.6096 -54.2993 -15.8442 -53.3202 63.8818 TIMING: 3753800 CPU: 10907.2, 0.00293719/step Wall: 10907.2, 0.00293719/step, 1.01676 hours remaining, 207.925781 MB of memory in use. ENERGY: 3753800 719.1767 2108.7775 1937.7021 110.2157 -206490.9906 18019.7226 0.0000 0.0000 34174.8151 -149420.5810 298.4572 -183595.3961 -149327.4798 298.6807 48.5084 81.4221 559455.8218 17.6410 17.6117 PRESSURE: 3754000 -287.645 155.534 -86.3296 155.533 66.0741 13.9573 -86.3292 13.9571 -183.546 GPRESSURE: 3754000 -277.095 40.0394 -88.5229 194.711 78.8662 -22.9525 -46.6128 -47.018 -106.146 PRESSAVG: 3754000 35.2068 47.7944 -29.1617 47.7944 -4.62455 -24.7942 -29.1618 -24.7942 -49.9277 GPRESSAVG: 3754000 33.9839 46.5859 -27.4036 49.2801 -5.10386 -25.3001 -29.6882 -25.9897 -48.132 TIMING: 3754000 CPU: 10907.8, 0.00294203/step Wall: 10907.8, 0.00294203/step, 1.01827 hours remaining, 207.925781 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: 3754000 777.5258 2082.4956 1949.5402 101.7720 -205979.1465 17690.0703 0.0000 0.0000 34031.5221 -149346.2205 297.2057 -183377.7425 -149252.1231 298.3222 -135.0391 -101.4581 560188.4046 -6.4485 -6.4173 PRESSURE: 3754200 164.684 131.538 -97.6663 131.538 189.537 -12.2625 -97.6655 -12.2617 -66.7013 GPRESSURE: 3754200 148.004 157.502 -4.86967 120.243 220.053 -98.1575 -185.159 49.2592 0.819854 PRESSAVG: 3754200 2.848 32.8985 -18.7268 32.8986 -2.20555 -21.6538 -18.727 -21.6537 -27.0784 GPRESSAVG: 3754200 2.57718 32.7826 -17.3428 31.9008 -1.1853 -19.6895 -20.65 -22.4297 -28.2384 TIMING: 3754200 CPU: 10908.4, 0.00295469/step Wall: 10908.4, 0.00295469/step, 1.02249 hours remaining, 207.925781 MB of memory in use. ENERGY: 3754200 743.0159 2076.9258 1959.6565 116.3338 -206196.3538 17782.4258 0.0000 0.0000 34276.4059 -149241.5901 299.3444 -183517.9959 -149143.6900 298.0830 95.8398 122.9589 556604.1320 -8.8120 -8.9488 PRESSURE: 3754400 214.039 -146.94 55.3862 -146.939 175.141 90.3866 55.3856 90.3855 71.4938 GPRESSURE: 3754400 232.022 -209.285 98.8084 -46.2187 198.646 66.4314 39.1586 146.422 111.521 PRESSAVG: 3754400 1.85993 -29.4336 14.6144 -29.4335 -1.03343 36.0125 14.6144 36.0125 -48.619 GPRESSAVG: 3754400 3.03172 -29.0468 12.783 -30.1049 -2.52627 35.5915 14.3513 38.1811 -48.3472 TIMING: 3754400 CPU: 10909, 0.00292246/step Wall: 10909, 0.00292246/step, 1.01117 hours remaining, 207.925781 MB of memory in use. ENERGY: 3754400 709.4106 2102.4528 1954.6342 112.7138 -206381.9888 17860.9467 0.0000 0.0000 34371.0219 -149270.8088 300.1707 -183641.8307 -149176.0568 298.7904 153.5579 180.7298 556795.0271 -15.9308 -15.9472 PRESSURE: 3754600 131.258 -31.6733 -99.4495 -31.6745 -76.913 1.83633 -99.4495 1.83511 -148.097 GPRESSURE: 3754600 146.242 -108.487 -82.6344 6.38426 -37.9936 46.7163 -103.945 -91.6844 -103.348 PRESSAVG: 3754600 -0.4692 11.2412 -4.76283 11.2412 3.71085 -11.6414 -4.76286 -11.6413 40.9693 GPRESSAVG: 3754600 -0.592099 12.7706 -6.06262 9.26159 4.62879 -11.6536 -3.56641 -11.9933 40.0355 TIMING: 3754600 CPU: 10909.6, 0.00291712/step Wall: 10909.6, 0.00291712/step, 1.00916 hours remaining, 207.925781 MB of memory in use. ENERGY: 3754600 769.7665 2091.1981 1975.6541 109.3824 -206474.1581 17911.4206 0.0000 0.0000 34280.3226 -149336.4137 299.3786 -183616.7363 -149243.7166 299.0791 -31.2505 1.6336 556141.9898 14.7370 14.6907 PRESSURE: 3754800 100.346 46.0763 71.7109 46.0768 -252.585 87.6377 71.711 87.6374 66.6779 GPRESSURE: 3754800 128.263 105.001 79.7419 -4.98779 -207.089 56.0222 22.3873 47.1804 86.7494 PRESSAVG: 3754800 45.0476 22.253 -67.7086 22.2529 -29.4342 -35.7497 -67.7087 -35.7496 -43.0157 GPRESSAVG: 3754800 44.9765 20.9931 -66.6514 23.7855 -29.985 -36.1207 -68.2509 -36.7929 -42.5413 TIMING: 3754800 CPU: 10910.2, 0.00292041/step Wall: 10910.2, 0.00292041/step, 1.01014 hours remaining, 207.925781 MB of memory in use. ENERGY: 3754800 677.6338 2181.4780 1984.8040 108.8762 -206036.0783 17637.6047 0.0000 0.0000 33976.0811 -149469.6003 296.7216 -183445.6815 -149373.8649 298.7672 -28.5205 2.6413 556220.8628 -9.1341 -9.1833 PRESSURE: 3755000 -297.798 52.5727 30.0707 52.5737 81.4241 22.4054 30.0706 22.4059 -246.415 GPRESSURE: 3755000 -299.643 51.7441 33.3143 100.548 144.58 -23.1293 1.44144 97.1123 -209.191 PRESSAVG: 3755000 -14.547 18.3458 -30.9558 18.3457 0.259559 -3.75698 -30.9558 -3.75686 3.09665 GPRESSAVG: 3755000 -15.07 17.6388 -32.1379 18.9255 0.411839 -4.0421 -29.4085 -3.17002 3.79083 TIMING: 3755000 CPU: 10910.7, 0.00292184/step Wall: 10910.7, 0.00292184/step, 1.01047 hours remaining, 207.925781 MB of memory in use. ENERGY: 3755000 723.5442 2098.2942 1939.1534 105.9387 -206496.3166 17739.1439 0.0000 0.0000 34153.7041 -149736.5381 298.2728 -183890.2421 -149645.2517 297.8990 -154.2631 -121.4181 556336.3300 -3.7303 -3.6224 PRESSURE: 3755200 -136.541 179.465 -25.8649 179.465 -2.75358 -111.79 -25.8638 -111.792 200.345 GPRESSURE: 3755200 -86.8233 147.523 -96.2628 178.516 1.80746 -91.1278 42.4668 -95.752 233.667 PRESSAVG: 3755200 12.5975 69.2685 -43.4556 69.2684 32.1613 -8.02914 -43.4555 -8.02916 -71.1313 GPRESSAVG: 3755200 12.2587 69.8263 -42.035 70.5335 32.6455 -6.0568 -42.5346 -8.67007 -71.8023 TIMING: 3755200 CPU: 10911.3, 0.00293321/step Wall: 10911.3, 0.00293321/step, 1.01424 hours remaining, 207.925781 MB of memory in use. ENERGY: 3755200 743.5260 2071.4504 1998.2253 123.7511 -207074.3716 18182.9528 0.0000 0.0000 34114.0892 -149840.3768 297.9268 -183954.4660 -149743.8130 297.5121 20.3500 49.5505 555727.4765 -8.7908 -8.9660 PRESSURE: 3755400 37.5466 -161.447 -118.619 -161.447 -250.784 -101.223 -118.621 -101.223 -341.047 GPRESSURE: 3755400 36.5841 -90.2823 -97.2356 -204.258 -224.022 -113.468 -128.286 -97.9455 -272.995 PRESSAVG: 3755400 1.90109 55.4984 15.5173 55.4984 24.5679 -61.8243 15.5174 -61.8242 -25.6132 GPRESSAVG: 3755400 1.48581 55.6614 14.5147 54.1199 25.0897 -63.4123 14.0256 -61.6435 -25.5723 TIMING: 3755400 CPU: 10911.9, 0.00291032/step Wall: 10911.9, 0.00291032/step, 1.00616 hours remaining, 207.925781 MB of memory in use. ENERGY: 3755400 760.3353 2147.4312 1956.1884 124.8445 -206498.5078 17653.9276 0.0000 0.0000 34058.5501 -149797.2307 297.4418 -183855.7808 -149693.2430 298.1710 -184.7612 -153.4777 556504.7360 0.2853 0.3344 PRESSURE: 3755600 -52.7843 100.505 80.1391 100.505 -95.6537 -112.01 80.1408 -112.01 -241.034 GPRESSURE: 3755600 -57.8611 41.6497 37.2896 69.2371 -49.72 -98.9275 50.9475 -45.1661 -171.749 PRESSAVG: 3755600 -7.29866 56.9152 -41.5181 56.9151 -4.77319 -37.3893 -41.5181 -37.3895 23.818 GPRESSAVG: 3755600 -6.70524 56.7376 -41.7448 58.1871 -6.10013 -36.595 -40.5946 -38.2657 24.4532 TIMING: 3755600 CPU: 10912.5, 0.00291913/step Wall: 10912.5, 0.00291913/step, 1.00904 hours remaining, 207.925781 MB of memory in use. ENERGY: 3755600 721.2427 2108.5662 1958.4141 113.1011 -206456.2418 17650.4346 0.0000 0.0000 34357.2728 -149547.2105 300.0506 -183904.4833 -149445.7014 298.6561 -129.8240 -93.1102 557809.6082 3.9154 3.8826 PRESSURE: 3755800 84.7529 -96.6713 -112.131 -96.672 89.5069 16.5696 -112.132 16.5699 359.137 GPRESSURE: 3755800 54.075 -106.274 -95.8117 -76.1422 130.003 -37.8209 -126.078 -17.0504 443.533 PRESSAVG: 3755800 -38.8205 -14.5856 -5.75178 -14.5858 -39.9134 26.2147 -5.75176 26.2148 83.997 GPRESSAVG: 3755800 -38.9547 -15.2808 -5.09999 -15.3433 -39.5762 25.7903 -5.67798 25.6327 83.805 TIMING: 3755800 CPU: 10913.1, 0.00292183/step Wall: 10913.1, 0.00292183/step, 1.00982 hours remaining, 207.925781 MB of memory in use. ENERGY: 3755800 747.5458 2076.1037 1934.6979 114.0880 -206503.9095 17994.4574 0.0000 0.0000 34154.6841 -149482.3326 298.2814 -183637.0167 -149388.9112 299.2252 177.7988 209.2037 556654.5263 1.7544 1.7580 PRESSURE: 3756000 82.0428 -13.2243 13.8819 -13.2236 -19.3645 -6.99145 13.8818 -6.99041 58.9644 GPRESSURE: 3756000 139.734 9.84106 -15.7879 -42.0933 -34.6431 -3.31635 8.09948 -64.6571 117.046 PRESSAVG: 3756000 -13.6786 16.5872 0.853924 16.5873 24.8303 -26.2141 0.85395 -26.2142 15.5885 GPRESSAVG: 3756000 -12.995 16.6338 -0.142284 17.8939 25.3848 -27.3889 -1.61282 -25.0335 14.6782 TIMING: 3756000 CPU: 10913.7, 0.00291626/step Wall: 10913.7, 0.00291626/step, 1.00773 hours remaining, 207.925781 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 732.5223 2128.3033 1953.0115 122.1488 -206917.4522 18040.9825 0.0000 0.0000 34379.8867 -149560.5971 300.2481 -183940.4838 -149462.0916 298.7793 40.5476 74.0454 556113.8965 8.9134 9.0227 PRESSURE: 3756200 -412.448 -203.235 58.1231 -203.234 -187.466 -136.43 58.1235 -136.43 -330.137 GPRESSURE: 3756200 -351.443 -74.2362 98.3889 -146.821 -179.15 -114.426 109.733 -94.8412 -306.642 PRESSAVG: 3756200 -6.38133 25.7697 -43.7987 25.7696 24.3078 -8.39689 -43.7988 -8.39697 -10.235 GPRESSAVG: 3756200 -6.41215 27.8506 -45.038 24.5456 23.8534 -10.2018 -39.4002 -6.46457 -10.0109 TIMING: 3756200 CPU: 10914.3, 0.00292132/step Wall: 10914.3, 0.00292132/step, 1.00932 hours remaining, 207.925781 MB of memory in use. ENERGY: 3756200 749.8786 2100.1297 1979.8646 108.7909 -205800.1312 17235.6036 0.0000 0.0000 34310.6775 -149315.1862 299.6437 -183625.8637 -149211.2780 299.1048 -310.0170 -279.0783 557680.4465 2.5638 2.4768 LDB: ============= START OF LOAD BALANCING ============== 10917.7 LDB: ============== END OF LOAD BALANCING =============== 10917.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10917.7 LDB: ============= START OF LOAD BALANCING ============== 10918 LDB: Largest compute 4848 load 0.030779 is 26.1% of average load 0.117949 LDB: Average compute 0.001718 is 1.5% of average load 0.117949 LDB: TIME 10918 LOAD: AVG 0.117949 MAX 0.187176 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.789 MB LDB: TIME 10918 LOAD: AVG 0.117949 MAX 0.187176 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: TIME 10918 LOAD: AVG 0.117949 MAX 0.187176 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10918 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10918 PRESSURE: 3756400 -70.918 -3.65461 -73.9922 -3.65386 295.549 -24.2059 -73.9926 -24.2055 -39.1456 GPRESSURE: 3756400 -47.8597 55.4298 -115.426 34.4114 338.869 -48.5848 -89.9598 -74.0459 -7.86874 PRESSAVG: 3756400 39.9658 3.63497 17.8324 3.63507 -0.374835 -23.2461 17.8324 -23.2461 10.8581 GPRESSAVG: 3756400 40.1813 4.10001 19.2757 3.23614 -0.914658 -22.4709 18.7707 -23.7898 10.8986 TIMING: 3756400 CPU: 10914.8, 0.00297448/step Wall: 10914.8, 0.00297448/step, 1.02752 hours remaining, 207.613281 MB of memory in use. ENERGY: 3756400 734.7922 2094.1814 1982.5823 107.8293 -206522.1443 17906.5954 0.0000 0.0000 34396.7760 -149299.3877 300.3956 -183696.1636 -149197.6866 299.2419 61.8286 94.3801 556026.7630 16.8164 16.7218 PRESSURE: 3756600 -30.3336 -8.27136 -20.3547 -8.27128 -168.61 -101.509 -20.3553 -101.509 -105.521 GPRESSURE: 3756600 -8.38911 -52.4066 -101.705 -22.1246 -127.724 -129.589 4.11935 -25.7931 -73.5414 PRESSAVG: 3756600 -46.7046 -22.3861 -57.2208 -22.3861 95.1582 7.03487 -57.2209 7.03486 1.11024 GPRESSAVG: 3756600 -47.395 -24.2065 -55.5711 -22.5835 95.0373 7.83942 -60.6124 4.82206 1.68707 TIMING: 3756600 CPU: 10915.4, 0.00291435/step Wall: 10915.4, 0.00291435/step, 1.00658 hours remaining, 207.816406 MB of memory in use. ENERGY: 3756600 739.8774 2176.8649 1943.4275 107.4108 -206080.3729 17725.2709 0.0000 0.0000 34081.6082 -149305.9132 297.6432 -183387.5214 -149208.7963 299.5963 -101.4883 -69.8848 557576.0200 16.5213 16.4431 PRESSURE: 3756800 93.7628 50.242 -39.7871 50.2424 -323.957 -49.8084 -39.7872 -49.8072 -91.4118 GPRESSURE: 3756800 123.894 45.3473 119.799 60.5414 -273.044 -77.8606 -117.748 1.31351 -76.415 PRESSAVG: 3756800 -4.67877 -33.3152 34.8315 -33.3153 -42.1446 -12.9449 34.8314 -12.945 -3.78469 GPRESSAVG: 3756800 -5.32625 -30.9966 35.471 -32.8335 -41.3858 -14.1763 36.4625 -11.1029 -3.66862 TIMING: 3756800 CPU: 10916, 0.00291912/step Wall: 10916, 0.00291912/step, 1.00807 hours remaining, 207.816406 MB of memory in use. ENERGY: 3756800 741.0344 2115.7031 1934.4532 107.4163 -206117.3960 17630.7793 0.0000 0.0000 34153.5261 -149434.4838 298.2712 -183588.0098 -149326.4470 298.8128 -107.2021 -75.1882 557058.8025 -16.8694 -16.7935 PRESSURE: 3757000 -160.842 11.9439 230.781 11.9441 -367.389 -21.0749 230.782 -21.0756 -46.7447 GPRESSURE: 3757000 -120.834 -49.0164 204.755 26.0393 -293.685 -29.9058 226.256 -31.6477 -51.9391 PRESSAVG: 3757000 6.25935 27.3159 42.713 27.3159 -17.5767 0.160968 42.7129 0.160933 47.7616 GPRESSAVG: 3757000 6.50884 26.9947 40.0814 25.2061 -17.5549 2.79169 42.9712 -1.22982 47.3551 TIMING: 3757000 CPU: 10916.6, 0.00293527/step Wall: 10916.6, 0.00293527/step, 1.01348 hours remaining, 207.878906 MB of memory in use. ENERGY: 3757000 795.3347 2104.0744 1951.8968 107.9200 -206276.8129 17718.6123 0.0000 0.0000 34090.5097 -149508.4650 297.7209 -183598.9747 -149413.2354 298.8074 -191.6586 -155.4859 558533.3567 12.1481 12.1030 PRESSURE: 3757200 -135.171 139.49 -81.3501 139.49 2.55226 60.8042 -81.3507 60.8041 115.734 GPRESSURE: 3757200 -57.297 118.894 -49.0887 144.694 51.2531 -41.0932 -168.475 74.3564 90.5304 PRESSAVG: 3757200 19.2685 -29.4291 0.485009 -29.429 -8.6795 -34.305 0.485003 -34.305 12.436 GPRESSAVG: 3757200 19.3317 -30.7554 3.15591 -28.6157 -9.885 -35.6675 -2.86865 -34.619 13.5805 TIMING: 3757200 CPU: 10917.2, 0.00290877/step Wall: 10917.2, 0.00290877/step, 1.00417 hours remaining, 207.878906 MB of memory in use. ENERGY: 3757200 756.1254 2117.6435 1966.5938 107.8177 -206502.8972 17858.5109 0.0000 0.0000 34282.8803 -149413.3256 299.4009 -183696.2059 -149318.4711 298.5365 -5.6282 28.1622 557091.4265 7.6750 7.6758 PRESSURE: 3757400 99.497 97.5297 -226.154 97.5302 -97.9654 -114.534 -226.155 -114.536 -32.0639 GPRESSURE: 3757400 70.1307 -42.9572 -247.972 89.6408 -26.1624 -82.8714 -182.925 -115.226 27.3919 PRESSAVG: 3757400 62.5407 20.101 -20.1651 20.1011 10.2088 -52.6171 -20.1651 -52.6173 -58.9034 GPRESSAVG: 3757400 62.2267 22.8243 -20.5135 17.9083 11.5341 -53.3991 -16.795 -51.4595 -60.0202 TIMING: 3757400 CPU: 10917.8, 0.00290868/step Wall: 10917.8, 0.00290868/step, 1.00398 hours remaining, 208.050781 MB of memory in use. ENERGY: 3757400 744.2085 2119.7194 1914.1912 117.8435 -206088.0951 17763.6026 0.0000 0.0000 34039.8423 -149388.6875 297.2784 -183428.5298 -149291.3321 299.1055 -10.1774 23.7867 557625.3415 4.6154 4.5802 PRESSURE: 3757600 216.519 186.055 98.417 186.053 49.4303 75.8948 98.4153 75.8944 -166.951 GPRESSURE: 3757600 209.296 231.12 92.582 186.771 112.589 103.099 102.396 -5.59204 -134.048 PRESSAVG: 3757600 53.2845 18.5504 -25.7824 18.5503 24.8993 12.5134 -25.7823 12.5134 -78.9725 GPRESSAVG: 3757600 54.2094 15.1951 -28.0697 21.2957 23.4658 13.673 -27.2307 9.60494 -79.0078 TIMING: 3757600 CPU: 10918.3, 0.00292225/step Wall: 10918.3, 0.00292225/step, 1.0085 hours remaining, 208.050781 MB of memory in use. ENERGY: 3757600 733.7429 2104.6648 1956.7182 110.8337 -206441.6862 17885.2596 0.0000 0.0000 34279.6985 -149370.7685 299.3731 -183650.4670 -149279.4807 298.0519 32.9994 62.6126 558310.4760 -0.2629 -0.4442 PRESSURE: 3757800 -197.415 40.2298 -114.952 40.2294 -99.1649 111.563 -114.953 111.562 -259.822 GPRESSURE: 3757800 -172.764 22.0412 -97.8342 39.9246 -76.4114 67.5908 -142.138 96.2479 -200.113 PRESSAVG: 3757800 -25.73 -40.7322 -66.7555 -40.7321 21.6537 24.6878 -66.7556 24.6878 34.0913 GPRESSAVG: 3757800 -27.8313 -38.68 -65.4257 -41.6159 22.8127 24.2307 -66.7877 26.9277 34.9093 TIMING: 3757800 CPU: 10918.9, 0.00293876/step Wall: 10918.9, 0.00293876/step, 1.01403 hours remaining, 208.050781 MB of memory in use. ENERGY: 3757800 727.8453 2172.0935 1950.6887 112.3276 -206154.7184 17705.5902 0.0000 0.0000 34102.5146 -149383.6585 297.8257 -183486.1731 -149283.3438 298.3491 -185.4675 -149.7628 560492.9856 10.0050 9.9636 PRESSURE: 3758000 -322.018 180.758 -45.0187 180.758 -16.7747 72.7281 -45.0178 72.728 94.372 GPRESSURE: 3758000 -274.23 136.331 -11.3619 244.107 -28.3202 4.36217 -125.801 85.644 156.77 PRESSAVG: 3758000 -80.9124 -28.1877 -57.039 -28.1877 13.6284 -13.3033 -57.039 -13.3032 5.28569 GPRESSAVG: 3758000 -78.909 -28.9142 -55.0393 -27.8173 11.6289 -13.2275 -58.4191 -13.3662 5.05372 TIMING: 3758000 CPU: 10919.5, 0.00294024/step Wall: 10919.5, 0.00294024/step, 1.01438 hours remaining, 208.050781 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: 3758000 751.9544 2181.4078 1942.4963 114.1381 -206596.7671 18023.3041 0.0000 0.0000 34155.8481 -149427.6184 298.2915 -183583.4665 -149335.8925 298.4038 -81.4736 -48.5934 559538.5940 -20.6661 -20.7421 PRESSURE: 3758200 75.4795 16.5417 54.9361 16.5426 25.7508 -51.4437 54.9352 -51.4431 -157.894 GPRESSURE: 3758200 118.484 47.6256 72.625 -13.0989 9.92716 10.268 29.4372 -26.2774 -93.1705 PRESSAVG: 3758200 -19.0315 -15.0543 -0.777975 -15.0542 7.3562 -0.665759 -0.778007 -0.665731 -14.0884 GPRESSAVG: 3758200 -18.9243 -14.9126 -4.49134 -16.5735 8.1231 -0.507789 1.32998 -0.259438 -14.7382 TIMING: 3758200 CPU: 10920.1, 0.00292875/step Wall: 10920.1, 0.00292875/step, 1.01026 hours remaining, 208.050781 MB of memory in use. ENERGY: 3758200 753.9622 2094.0114 1969.9578 113.2475 -206453.8586 17851.5243 0.0000 0.0000 34267.5759 -149403.5795 299.2673 -183671.1554 -149312.4946 298.4525 -18.8880 11.7468 557181.6999 -8.5879 -8.5131 PRESSURE: 3758400 -135.231 18.3475 113.6 18.3466 -67.4294 40.7815 113.6 40.7795 -234.484 GPRESSURE: 3758400 -158.127 -40.6845 26.6365 42.8346 -22.6918 67.0628 122.858 77.605 -146.437 PRESSAVG: 3758400 1.62143 -31.45 -61.1111 -31.4498 -0.987424 78.2784 -61.1111 78.2786 40.2099 GPRESSAVG: 3758400 1.53232 -31.932 -59.4683 -31.0634 -0.419657 77.5168 -62.4236 77.1757 39.6775 TIMING: 3758400 CPU: 10920.7, 0.00289966/step Wall: 10920.7, 0.00289967/step, 1.00006 hours remaining, 208.050781 MB of memory in use. ENERGY: 3758400 756.6453 2127.4579 1977.7003 115.9727 -206199.9138 17666.1449 0.0000 0.0000 34169.2889 -149386.7038 298.4089 -183555.9927 -149284.4108 298.8770 -145.7149 -109.0854 557562.9597 13.6146 13.5967 PRESSURE: 3758600 7.91299 2.28665 -6.93322 2.28712 -178.084 38.3436 -6.93332 38.3444 -37.0191 GPRESSURE: 3758600 45.6387 52.8986 -44.0198 -10.1546 -35.0119 28.3027 -44.585 68.0628 -130.257 PRESSAVG: 3758600 -43.0656 41.6926 -17.9456 41.6925 -55.7982 27.6759 -17.9456 27.6759 61.9707 GPRESSAVG: 3758600 -43.8363 40.0971 -16.8877 43.6708 -55.7108 26.3021 -19.4394 28.7444 62.7241 TIMING: 3758600 CPU: 10921.3, 0.00289428/step Wall: 10921.3, 0.00289428/step, 0.998043 hours remaining, 208.050781 MB of memory in use. ENERGY: 3758600 747.3116 2043.8995 1979.6029 111.6108 -206042.1642 17615.0301 0.0000 0.0000 34233.5270 -149311.1822 298.9699 -183544.7093 -149222.0912 298.7444 -69.0635 -39.8767 557433.4917 -12.2977 -12.2743 PRESSURE: 3758800 78.6709 -43.2445 -78.1666 -43.2456 -217.309 11.466 -78.1673 11.4659 -200.617 GPRESSURE: 3758800 154.959 -74.4925 -23.2624 12.9156 -179.589 15.0006 -152.268 20.681 -209.197 PRESSAVG: 3758800 -17.9185 19.7986 17.2745 19.7986 -17.8595 48.4505 17.2746 48.4505 4.3706 GPRESSAVG: 3758800 -17.1734 20.8017 16.2551 19.1955 -18.0101 52.7095 20.2547 47.051 3.8662 TIMING: 3758800 CPU: 10921.8, 0.00291147/step Wall: 10921.8, 0.00291147/step, 1.00381 hours remaining, 208.050781 MB of memory in use. ENERGY: 3758800 754.9301 2020.8379 1963.7868 109.2690 -206020.5786 17797.8410 0.0000 0.0000 34185.6699 -149188.2440 298.5520 -183373.9139 -149089.5763 298.8825 -113.0849 -77.9425 557597.3877 -10.4691 -10.4391 PRESSURE: 3759000 -133.489 -1.42844 7.50198 -1.42899 -105.317 185.658 7.50136 185.657 67.0838 GPRESSURE: 3759000 -133.319 6.00236 32.4742 -24.9133 -66.6162 185.087 13.306 179.767 128.568 PRESSAVG: 3759000 27.0734 -24.7898 -3.58822 -24.7898 -10.6332 26.9055 -3.5883 26.9055 36.3186 GPRESSAVG: 3759000 27.2935 -23.6115 -3.21005 -25.3882 -10.991 24.0183 -5.0358 26.4826 36.5503 TIMING: 3759000 CPU: 10922.4, 0.00290433/step Wall: 10922.4, 0.00290433/step, 1.00119 hours remaining, 208.050781 MB of memory in use. ENERGY: 3759000 744.6531 2066.9075 1982.5610 102.0623 -205867.8354 17734.3667 0.0000 0.0000 34259.3518 -148977.9330 299.1954 -183237.2848 -148884.5186 299.3937 -57.2409 -23.7892 559002.6882 17.5863 17.6176 PRESSURE: 3759200 229.192 -91.0248 -46.3871 -91.0237 -120.073 52.8459 -46.3864 52.8459 100.339 GPRESSURE: 3759200 205.724 -2.12654 20.8446 -115.931 -82.3393 -15.327 -108.371 97.2146 171.608 PRESSAVG: 3759200 60.1926 -25.796 -19.6879 -25.7959 -2.21143 43.3023 -19.688 43.3023 -51.1541 GPRESSAVG: 3759200 60.0041 -28.8557 -20.0747 -23.9769 -2.36138 44.8612 -19.6783 44.6304 -50.689 TIMING: 3759200 CPU: 10923, 0.0028953/step Wall: 10923, 0.0028953/step, 0.997913 hours remaining, 208.050781 MB of memory in use. ENERGY: 3759200 740.4031 2133.5565 1964.1408 117.6771 -206748.3501 18091.5296 0.0000 0.0000 34479.0864 -149221.9567 301.1144 -183701.0431 -149127.8675 299.4531 69.8193 98.3308 556808.0267 2.2757 2.3179 PRESSURE: 3759400 26.176 78.8076 62.8976 78.8087 -49.6301 62.9391 62.898 62.9373 -54.0377 GPRESSURE: 3759400 82.6619 88.277 49.5424 1.76747 13.5063 68.7348 6.56666 76.5282 -68.7168 PRESSAVG: 3759400 -0.404941 8.47577 26.0743 8.47577 24.0016 19.5134 26.0743 19.5133 -10.7875 GPRESSAVG: 3759400 -1.29254 10.7072 26.2551 7.15463 24.2398 18.0157 25.7858 19.1388 -9.74925 TIMING: 3759400 CPU: 10923.6, 0.00287849/step Wall: 10923.6, 0.00287849/step, 0.991958 hours remaining, 208.050781 MB of memory in use. ENERGY: 3759400 736.1225 2181.8488 1954.7401 127.3873 -206403.4935 17922.3445 0.0000 0.0000 34227.9895 -149253.0607 298.9215 -183481.0502 -149156.4816 299.3358 -25.8306 9.1505 559329.0931 4.2697 4.3993 PRESSURE: 3759600 -15.1112 -24.205 -135.827 -24.2042 229.744 132.875 -135.829 132.875 -326.575 GPRESSURE: 3759600 76.9301 -39.8799 -80.8057 33.5174 210.734 132.905 -107.248 157.85 -293.807 PRESSAVG: 3759600 9.15142 58.8939 9.78073 58.8939 -54.8648 33.1033 9.78067 33.1032 -16.7186 GPRESSAVG: 3759600 10.3655 59.3615 10.2236 59.8274 -54.7329 31.8921 9.01803 33.6138 -18.0689 TIMING: 3759600 CPU: 10924.2, 0.00289072/step Wall: 10924.2, 0.00289072/step, 0.996013 hours remaining, 208.050781 MB of memory in use. ENERGY: 3759600 770.8097 2094.8960 1939.1341 109.8288 -206175.2470 17865.2960 0.0000 0.0000 34190.4461 -149204.8364 298.5937 -183395.2825 -149108.6085 299.3319 -37.3142 -2.0475 558728.7486 -20.8106 -20.8121 PRESSURE: 3759800 -228.801 -58.1257 -207.583 -58.1254 -307.86 194.859 -207.583 194.858 -439.075 GPRESSURE: 3759800 -149.216 -15.6992 -229.295 -87.9597 -357.269 202.206 -131.327 152.821 -382.274 PRESSAVG: 3759800 30.4569 -10.5958 -63.2573 -10.5957 2.22296 0.535503 -63.2573 0.535465 12.5674 GPRESSAVG: 3759800 31.0891 -9.82946 -64.8576 -12.7803 2.15268 1.69438 -60.5956 1.16127 11.887 TIMING: 3759800 CPU: 10924.7, 0.00288182/step Wall: 10924.7, 0.00288182/step, 0.992787 hours remaining, 208.050781 MB of memory in use. ENERGY: 3759800 761.2321 2084.8597 1971.2200 114.5421 -205589.1410 17326.7330 0.0000 0.0000 34298.8916 -149031.6625 299.5408 -183330.5540 -148940.4953 299.8665 -325.2451 -296.2530 558787.8277 15.0824 15.0429 PRESSURE: 3760000 -64.6784 -184.511 209.326 -184.51 -42.6339 50.7905 209.325 50.791 -81.1917 GPRESSURE: 3760000 21.0611 -122.047 152.293 -201.586 -66.3168 32.8724 329.556 48.1738 -49.0923 PRESSAVG: 3760000 42.7149 -15.6908 -26.7017 -15.6908 -11.2294 7.49264 -26.7017 7.49276 -21.7692 GPRESSAVG: 3760000 42.9203 -17.2054 -26.2511 -13.1354 -11.2619 6.57378 -26.3435 7.31007 -22.5919 TIMING: 3760000 CPU: 10925.3, 0.0029034/step Wall: 10925.3, 0.0029034/step, 1.00006 hours remaining, 208.050781 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: 3760000 750.4173 2067.2131 1946.1183 114.7444 -205727.9816 17536.2918 0.0000 0.0000 34117.8495 -149195.3473 297.9597 -183313.1968 -149104.0033 299.1654 -62.8347 -31.4493 557834.8937 3.2388 3.0221 PRESSURE: 3760200 192.575 -44.6228 -255.666 -44.6233 -79.1921 -4.46676 -255.665 -4.4663 -20.6362 GPRESSURE: 3760200 229.414 -46.3728 -201.945 -49.888 -53.0794 -70.5877 -342.7 22.8114 13.4743 PRESSAVG: 3760200 42.6237 16.4027 -5.74329 16.4027 -19.9554 -0.485609 -5.74314 -0.485578 -16.6932 GPRESSAVG: 3760200 41.8697 16.9468 -5.73296 15.1532 -18.852 -0.416108 -7.84253 0.631864 -16.8866 TIMING: 3760200 CPU: 10925.9, 0.00291652/step Wall: 10925.9, 0.00291652/step, 1.00442 hours remaining, 208.050781 MB of memory in use. ENERGY: 3760200 750.3656 2061.9715 1931.7773 109.0366 -206380.2291 17833.3416 0.0000 0.0000 34631.0803 -149062.6563 302.4418 -183693.7366 -148963.4325 299.5667 30.9154 63.2697 557299.1389 1.9917 2.0437 LDB: ============= START OF LOAD BALANCING ============== 10929.4 LDB: ============== END OF LOAD BALANCING =============== 10929.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10929.4 LDB: ============= START OF LOAD BALANCING ============== 10929.7 LDB: Largest compute 4848 load 0.030439 is 25.8% of average load 0.117853 LDB: Average compute 0.001723 is 1.5% of average load 0.117853 LDB: TIME 10929.7 LOAD: AVG 0.117853 MAX 0.181804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.113 MB LDB: TIME 10929.7 LOAD: AVG 0.117853 MAX 0.181804 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: TIME 10929.7 LOAD: AVG 0.117853 MAX 0.181804 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: ============== END OF LOAD BALANCING =============== 10929.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10929.7 PRESSURE: 3760400 87.4778 152.35 -39.5166 152.351 -56.1923 109.023 -39.5174 109.022 278.934 GPRESSURE: 3760400 124.535 132.243 -85.2967 178.527 4.46003 86.48 11.2166 114.759 288.248 PRESSAVG: 3760400 25.1809 55.6189 -48.7926 55.619 -0.805264 -1.58306 -48.7925 -1.58311 7.32639 GPRESSAVG: 3760400 24.4118 56.2882 -46.4823 53.3409 -0.769082 -1.87605 -48.5196 -3.81418 8.1963 TIMING: 3760400 CPU: 10926.5, 0.00298685/step Wall: 10926.5, 0.00298685/step, 1.02847 hours remaining, 206.390625 MB of memory in use. ENERGY: 3760400 747.1124 2043.7856 1956.4024 117.7055 -206145.3376 18018.7231 0.0000 0.0000 34354.7428 -148906.8659 300.0285 -183261.6087 -148809.7236 299.7419 103.4066 139.0810 557136.6179 10.5673 10.6130 PRESSURE: 3760600 -168.654 53.5483 21.9403 53.5493 31.5087 89.4637 21.9414 89.4622 21.406 GPRESSURE: 3760600 -131.565 146.215 0.893954 5.50884 94.6057 55.7476 79.5174 -23.8307 31.0658 PRESSAVG: 3760600 16.5324 33.9545 -46.5153 33.9546 0.702931 5.34697 -46.5152 5.34697 -35.6357 GPRESSAVG: 3760600 18.0227 35.8505 -48.1265 33.6153 -0.265715 4.73873 -46.3145 8.09856 -35.525 TIMING: 3760600 CPU: 10927.1, 0.0029111/step Wall: 10927.1, 0.0029111/step, 1.00223 hours remaining, 206.718750 MB of memory in use. ENERGY: 3760600 744.8390 2080.8236 1932.2347 107.5659 -205966.2668 17748.1445 0.0000 0.0000 34344.1557 -149008.5035 299.9361 -183352.6592 -148909.2150 299.3073 -38.5798 -1.9644 557634.9975 -6.1334 -5.9227 PRESSURE: 3760800 325.214 16.9745 90.248 16.975 126.519 136.65 90.2487 136.651 -153.544 GPRESSURE: 3760800 335.637 44.391 96.5811 -34.5365 184.943 157.641 30.1873 173.628 -126.341 PRESSAVG: 3760800 72.6937 -15.3137 -15.5858 -15.3136 -47.6028 -22.2398 -15.5857 -22.2399 10.9415 GPRESSAVG: 3760800 71.5107 -18.3878 -14.5726 -12.2426 -47.3118 -19.3901 -17.4532 -26.6672 11.0912 TIMING: 3760800 CPU: 10927.7, 0.00291013/step Wall: 10927.7, 0.00291013/step, 1.00173 hours remaining, 206.718750 MB of memory in use. ENERGY: 3760800 736.3270 2089.4261 1950.7529 118.5286 -205941.8219 17915.9587 0.0000 0.0000 34197.0629 -148933.7657 298.6515 -183130.8285 -148839.0727 299.0087 99.3963 131.4131 558375.6995 12.0108 11.7633 PRESSURE: 3761000 -74.0925 -149.692 52.8394 -149.692 -86.6055 49.3871 52.8386 49.3849 -106.962 GPRESSURE: 3761000 -59.2229 -79.7612 127.806 -113.104 -60.5745 -0.139775 -21.3998 163.599 -55.9704 PRESSAVG: 3761000 -40.6626 -48.4483 33.2766 -48.4484 23.2079 26.2639 33.2768 26.2638 19.9351 GPRESSAVG: 3761000 -42.1201 -49.2589 30.3158 -46.8188 23.7143 26.2676 35.1987 28.5339 20.7044 TIMING: 3761000 CPU: 10928.2, 0.00291867/step Wall: 10928.2, 0.00291867/step, 1.00451 hours remaining, 206.718750 MB of memory in use. ENERGY: 3761000 749.0303 2140.2791 1932.6872 100.3322 -205848.5410 17776.5705 0.0000 0.0000 34216.0578 -148933.5839 298.8173 -183149.6417 -148837.5006 299.9217 -89.2199 -58.5893 559377.2130 0.8268 0.7662 PRESSURE: 3761200 -121.792 185.518 -112.996 185.518 -146.578 58.5311 -112.994 58.5314 -79.7877 GPRESSURE: 3761200 -82.5772 187.021 -110.678 128.701 -110.051 68.5846 -127.868 -28.9653 -51.5902 PRESSAVG: 3761200 -44.8874 -13.1747 18.2706 -13.1747 44.3769 -14.3214 18.2708 -14.3215 -25.807 GPRESSAVG: 3761200 -42.4604 -11.3537 18.9956 -15.1152 44.2121 -14.5426 20.5524 -13.0696 -28.0779 TIMING: 3761200 CPU: 10928.8, 0.00290709/step Wall: 10928.8, 0.00290709/step, 1.00036 hours remaining, 206.718750 MB of memory in use. ENERGY: 3761200 738.5307 2091.0813 1958.6590 104.7710 -206019.2570 17706.1613 0.0000 0.0000 34257.5946 -149162.4590 299.1801 -183420.0536 -149055.5281 299.5615 -116.0526 -81.4063 558781.1308 -8.7725 -8.7754 PRESSURE: 3761400 111.818 37.9254 -51.3816 37.9251 -29.5031 6.92965 -51.3813 6.92999 16.1696 GPRESSURE: 3761400 132.376 32.012 -90.7164 51.3376 -3.40886 0.839902 15.3974 -46.7678 60.2209 PRESSAVG: 3761400 -61.8733 -8.35018 -21.1658 -8.35016 -21.7522 4.22304 -21.1657 4.22298 69.0851 GPRESSAVG: 3761400 -63.7374 -9.42982 -21.5908 -6.55468 -21.3629 5.33402 -22.1248 1.77962 70.5181 TIMING: 3761400 CPU: 10929.4, 0.00294278/step Wall: 10929.4, 0.00294278/step, 1.01248 hours remaining, 206.718750 MB of memory in use. ENERGY: 3761400 745.4170 2108.7136 1965.5978 109.1550 -206204.8633 17866.7515 0.0000 0.0000 34219.9681 -149189.2603 298.8515 -183409.2284 -149098.0066 299.1636 32.8281 63.0626 557224.5533 -4.8468 -4.8607 PRESSURE: 3761600 -144.75 -113.062 -41.3564 -113.062 -102.218 -38.1252 -41.3558 -38.1249 101.222 GPRESSURE: 3761600 -64.7751 -73.583 -137.849 -118.168 -78.7513 -80.1037 63.8421 -106.924 104.606 PRESSAVG: 3761600 -72.6323 -12.8428 -53.958 -12.8428 35.8255 -18.4641 -53.958 -18.4639 9.24607 GPRESSAVG: 3761600 -72.2971 -12.2885 -51.188 -16.1026 36.0577 -19.433 -56.32 -18.897 8.85067 TIMING: 3761600 CPU: 10930, 0.00294021/step Wall: 10930, 0.00294021/step, 1.01143 hours remaining, 206.718750 MB of memory in use. ENERGY: 3761600 753.2988 2083.8276 1950.1148 120.0325 -206230.2454 17889.0205 0.0000 0.0000 34444.0074 -148989.9438 300.8081 -183433.9512 -148891.3423 299.7078 -48.5819 -12.9736 558945.1400 -9.1869 -9.1296 PRESSURE: 3761800 -341.866 -1.52093 216.684 -1.51952 -370.115 169.005 216.685 169.005 -137.779 GPRESSURE: 3761800 -294.471 -59.7882 227.86 -30.4272 -349.972 207.775 183.662 180.394 -103.336 PRESSAVG: 3761800 -56.4399 -55.0957 -13.4337 -55.0956 66.4962 31.7292 -13.4338 31.7292 9.91807 GPRESSAVG: 3761800 -56.5328 -55.5453 -15.7906 -52.7707 65.9378 30.0981 -11.889 34.1913 10.6575 TIMING: 3761800 CPU: 10930.6, 0.00291408/step Wall: 10930.6, 0.00291408/step, 1.00228 hours remaining, 206.718750 MB of memory in use. ENERGY: 3761800 763.7669 2065.2108 1934.1064 104.6402 -205670.1498 17387.5440 0.0000 0.0000 34315.6308 -149099.2506 299.6869 -183414.8814 -149004.7848 299.8743 -283.2533 -249.2596 558797.6422 6.6581 6.6875 PRESSURE: 3762000 27.0322 65.1977 -27.8296 65.1975 38.41 60.0568 -27.8283 60.056 228.699 GPRESSURE: 3762000 89.235 94.6032 -118.726 50.0721 44.58 170.428 -41.5107 -57.1688 247.285 PRESSAVG: 3762000 -37.1414 35.9672 -57.2304 35.9672 2.97221 36.8444 -57.2304 36.8443 -2.42701 GPRESSAVG: 3762000 -36.8371 37.5742 -58.1049 33.5215 3.10694 36.5788 -57.9625 37.1916 -2.44524 TIMING: 3762000 CPU: 10931.2, 0.00291764/step Wall: 10931.2, 0.00291764/step, 1.00334 hours remaining, 206.718750 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: 3762000 720.7229 2061.1229 1931.7529 118.7380 -206231.3623 18036.3581 0.0000 0.0000 34188.1276 -149174.5399 298.5734 -183362.6675 -149071.5618 299.9074 98.0471 127.0332 557459.1620 -12.1987 -12.0585 PRESSURE: 3762200 -197.592 -141.103 -81.0917 -141.103 -173.551 -109.799 -81.0926 -109.799 -179.587 GPRESSURE: 3762200 -204.492 -146.794 -72.2612 -197.216 -78.7258 -9.63776 -141.956 -106.755 -158.715 PRESSAVG: 3762200 -31.4257 -2.05039 -43.7186 -2.0504 32.2153 -16.3617 -43.7185 -16.3618 28.3376 GPRESSAVG: 3762200 -30.7555 -3.83878 -40.294 1.51908 32.8295 -15.2797 -45.08 -17.2424 27.3144 TIMING: 3762200 CPU: 10931.8, 0.00289628/step Wall: 10931.8, 0.00289628/step, 0.995836 hours remaining, 206.718750 MB of memory in use. ENERGY: 3762200 779.7502 2125.9222 1944.9876 119.7525 -205765.6198 17659.5279 0.0000 0.0000 34086.0788 -149049.6007 297.6822 -183135.6795 -148964.7355 299.6507 -183.5766 -147.3107 559650.1964 9.7091 9.7961 PRESSURE: 3762400 8.36875 -87.074 -17.1908 -87.0742 -100.884 -4.01944 -17.1922 -4.02004 -168.862 GPRESSURE: 3762400 -1.58086 -87.9764 139.089 -42.8861 -83.5821 32.1469 -39.4629 -115.893 -86.677 PRESSAVG: 3762400 -13.6238 -52.1949 15.932 -52.195 0.300815 -52.1172 15.932 -52.1172 -31.2751 GPRESSAVG: 3762400 -14.3186 -49.6539 14.8754 -52.9558 0.127406 -50.6193 18.7691 -54.2057 -30.7311 TIMING: 3762400 CPU: 10932.3, 0.00292603/step Wall: 10932.3, 0.00292603/step, 1.0059 hours remaining, 206.718750 MB of memory in use. ENERGY: 3762400 776.1345 2053.6099 1961.8407 122.9780 -206053.7359 17634.2930 0.0000 0.0000 34353.0683 -149151.8115 300.0139 -183504.8798 -149058.5399 299.0867 -87.1258 -57.2800 557733.5813 -14.8660 -14.9741 PRESSURE: 3762600 -143.333 -112.077 50.5202 -112.077 -1.49439 43.5562 50.5197 43.5573 -31.6236 GPRESSURE: 3762600 -73.3483 -63.5027 76.8406 -167.238 -6.07869 71.1515 -9.62391 73.604 9.59877 PRESSAVG: 3762600 -11.6918 -36.0355 67.8168 -36.0355 47.5753 -10.5886 67.8168 -10.5885 -25.387 GPRESSAVG: 3762600 -11.8724 -37.701 68.4005 -36.4929 47.9896 -13.9807 66.2501 -7.16634 -25.1191 TIMING: 3762600 CPU: 10932.9, 0.00293908/step Wall: 10932.9, 0.00293908/step, 1.01023 hours remaining, 206.718750 MB of memory in use. ENERGY: 3762600 721.0197 2058.8511 1984.7715 124.4615 -206128.0552 17645.4049 0.0000 0.0000 34480.8351 -149112.7114 301.1297 -183593.5465 -149020.8830 300.0202 -58.8168 -23.2761 556946.6992 3.4988 3.6661 PRESSURE: 3762800 26.2826 -120.091 100.666 -120.092 -278.199 -129.001 100.667 -129.002 -211.16 GPRESSURE: 3762800 69.2776 -42.6548 167.841 -174.826 -269.9 -90.172 19.7478 -212.833 -165.399 PRESSAVG: 3762800 22.5399 -28.9431 14.2036 -28.943 65.0257 -9.09101 14.2036 -9.09101 -24.0387 GPRESSAVG: 3762800 22.4701 -30.7688 12.8947 -28.2295 63.9767 -6.49687 15.6873 -10.8564 -22.9273 TIMING: 3762800 CPU: 10933.5, 0.00290588/step Wall: 10933.5, 0.00290588/step, 0.998655 hours remaining, 206.718750 MB of memory in use. ENERGY: 3762800 736.0449 2092.2320 1992.6367 101.7341 -205786.5616 17556.2336 0.0000 0.0000 34207.4942 -149100.1862 298.7426 -183307.6804 -149004.1535 299.7071 -154.3588 -122.0071 558103.5673 21.1756 21.1732 PRESSURE: 3763000 -135.819 34.7631 -66.5995 34.7626 82.9412 -107.033 -66.5996 -107.031 278.118 GPRESSURE: 3763000 -110.812 -0.629729 -22.2851 60.218 138.814 -72.8966 -106.137 -88.4413 286.69 PRESSAVG: 3763000 27.4903 -20.9771 24.5724 -20.9771 -12.5463 6.44656 24.5725 6.44662 0.562899 GPRESSAVG: 3763000 28.0864 -20.6898 24.8675 -20.7429 -12.4073 5.97695 23.3564 7.00881 -0.456639 TIMING: 3763000 CPU: 10934.1, 0.00291879/step Wall: 10934.1, 0.00291879/step, 1.00293 hours remaining, 206.718750 MB of memory in use. ENERGY: 3763000 738.5273 2071.8896 1925.9768 116.6526 -206338.9918 17988.6095 0.0000 0.0000 34302.4877 -149194.8482 299.5722 -183497.3360 -149090.3692 298.9229 75.0801 104.8974 556581.9750 5.1690 5.0742 PRESSURE: 3763200 -11.4909 -25.026 1.05979 -25.0248 8.84128 72.4622 1.06004 72.4622 -132.195 GPRESSURE: 3763200 -10.3263 -21.3883 16.9435 -64.3366 75.1415 107.561 -21.4978 88.4674 -86.4301 PRESSAVG: 3763200 8.90292 19.2626 -19.8727 19.2626 -65.5792 66.5566 -19.8726 66.5565 49.7393 GPRESSAVG: 3763200 8.72467 20.1492 -20.7654 17.6932 -65.6943 67.6286 -18.9985 66.7325 50.4728 TIMING: 3763200 CPU: 10934.7, 0.0028963/step Wall: 10934.7, 0.0028963/step, 0.995041 hours remaining, 206.718750 MB of memory in use. ENERGY: 3763200 727.9138 2112.4786 1934.0322 106.7075 -205883.2122 17696.3399 0.0000 0.0000 34142.6331 -149163.1071 298.1761 -183305.7402 -149058.3191 299.0532 -44.9481 -7.2050 558071.5994 -2.3123 -2.1656 PRESSURE: 3763400 -252.394 -111.786 91.4056 -111.787 -191.612 12.7918 91.4066 12.7911 -207.234 GPRESSURE: 3763400 -192.365 -144.071 84.934 -170.309 -175.289 6.9468 17.842 59.2642 -188.409 PRESSAVG: 3763400 -5.12626 -19.788 4.35531 -19.788 57.4388 15.1362 4.35532 15.1361 -82.0836 GPRESSAVG: 3763400 -4.59963 -20.2889 7.18059 -18.1991 57.8071 15.4124 4.70407 14.2274 -82.8046 TIMING: 3763400 CPU: 10935.3, 0.00291708/step Wall: 10935.3, 0.00291708/step, 1.00202 hours remaining, 206.718750 MB of memory in use. ENERGY: 3763400 760.9276 2118.2961 1951.2973 122.1170 -205773.1019 17505.3578 0.0000 0.0000 34129.8811 -149185.2249 298.0647 -183315.1060 -149095.5447 299.1570 -217.0799 -185.3544 557742.6463 -9.9237 -9.8657 PRESSURE: 3763600 179.411 -49.5669 -33.3144 -49.568 -98.8312 92.5369 -33.3143 92.5359 -53.7565 GPRESSURE: 3763600 101.144 21.0968 13.1037 -80.1206 -22.5582 36.149 57.3991 37.0949 41.7336 PRESSAVG: 3763600 -42.1034 9.88893 -4.59238 9.88902 28.5104 16.4621 -4.59232 16.4621 -8.47124 GPRESSAVG: 3763600 -43.0869 9.73102 -6.67265 9.42931 28.1572 16.1286 -4.07522 14.8892 -6.87228 TIMING: 3763600 CPU: 10935.8, 0.00289439/step Wall: 10935.8, 0.00289439/step, 0.994064 hours remaining, 206.718750 MB of memory in use. ENERGY: 3763600 758.5071 2098.6057 1947.9460 108.9539 -206043.4070 17908.8968 0.0000 0.0000 34115.2142 -149105.2833 297.9367 -183220.4975 -149009.9434 299.3379 8.9411 40.1065 558017.4681 -7.3548 -7.2673 PRESSURE: 3763800 -55.271 -14.8549 -40.7234 -14.8547 -280.54 -93.3786 -40.7239 -93.3769 -474.308 GPRESSURE: 3763800 -53.2051 -21.6905 -45.9834 -25.3927 -265.013 -99.9623 -2.98181 -56.6073 -393.817 PRESSAVG: 3763800 20.1561 32.6872 -8.13164 32.6871 -30.6111 -7.11355 -8.13161 -7.11356 24.9947 GPRESSAVG: 3763800 20.9678 32.6865 -6.91353 31.9232 -29.8205 -8.93548 -10.2522 -4.96999 23.9371 TIMING: 3763800 CPU: 10936.4, 0.00289448/step Wall: 10936.4, 0.00289448/step, 0.993933 hours remaining, 206.718750 MB of memory in use. ENERGY: 3763800 728.5887 2097.7437 1947.6194 101.3015 -205422.5219 17281.6180 0.0000 0.0000 34231.8446 -149033.8059 298.9552 -183265.6506 -148938.0084 299.5750 -270.0398 -237.3452 558380.6336 4.8466 5.0281 PRESSURE: 3764000 -206.945 -153.74 10.5166 -153.74 -48.8446 -132.539 10.5162 -132.539 -258.148 GPRESSURE: 3764000 -206.444 -163.796 -33.3015 -177.819 18.4285 -115.031 17.3802 -82.5256 -222.735 PRESSAVG: 3764000 28.2471 32.7416 -6.3398 32.7416 -11.585 38.6667 -6.3398 38.6666 -15.7095 GPRESSAVG: 3764000 27.8917 32.2654 -6.96741 33.6837 -12.28 38.8678 -5.74542 37.2358 -14.8041 TIMING: 3764000 CPU: 10937, 0.00289419/step Wall: 10937, 0.00289419/step, 0.993673 hours remaining, 206.718750 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: 3764000 732.1573 2068.9874 1955.7370 111.5754 -205682.9572 17563.3915 0.0000 0.0000 34224.2049 -149026.9037 298.8885 -183251.1086 -148930.1852 299.7909 -171.3125 -136.9168 559639.0788 0.3175 0.2692 PRESSURE: 3764200 -60.5985 -46.028 27.5958 -46.0287 -40.7839 -201.177 27.5959 -201.176 96.6791 GPRESSURE: 3764200 1.42752 -63.9784 31.6906 3.80139 -36.9238 -133.71 63.1593 -174.717 110.007 PRESSAVG: 3764200 106.238 -26.2926 -10.0785 -26.2927 31.7426 -29.717 -10.0785 -29.7171 -82.9222 GPRESSAVG: 3764200 105.453 -26.1992 -11.6338 -27.0555 31.702 -28.9369 -7.77516 -29.4759 -82.2247 TIMING: 3764200 CPU: 10937.6, 0.00290045/step Wall: 10937.6, 0.00290045/step, 0.995661 hours remaining, 206.718750 MB of memory in use. ENERGY: 3764200 754.5458 2009.1977 1981.7902 113.8614 -205984.9901 17737.5159 0.0000 0.0000 34372.0559 -149016.0232 300.1797 -183388.0791 -148925.8370 299.4249 -1.5678 24.8370 558399.8308 18.3530 18.3100 LDB: ============= START OF LOAD BALANCING ============== 10941 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10941 LDB: =============== DONE WITH MIGRATION ================ 10941 LDB: ============= START OF LOAD BALANCING ============== 10941.3 LDB: Largest compute 4848 load 0.030188 is 25.6% of average load 0.117826 LDB: Average compute 0.001727 is 1.5% of average load 0.117826 LDB: TIME 10941.3 LOAD: AVG 0.117826 MAX 0.184944 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.691 MB LDB: TIME 10941.3 LOAD: AVG 0.117826 MAX 0.184944 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.895 MB LDB: TIME 10941.3 LOAD: AVG 0.117826 MAX 0.184944 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.895 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10941.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10941.3 PRESSURE: 3764400 192.625 18.6214 135.321 18.6205 -46.8281 -11.14 135.322 -11.1416 85.6999 GPRESSURE: 3764400 170.788 28.843 33.1189 37.6397 8.05315 8.75816 116.191 2.35809 153.067 PRESSAVG: 3764400 59.9715 -25.8773 -7.81182 -25.8774 -49.4031 -31.299 -7.81178 -31.2988 -26.6886 GPRESSAVG: 3764400 60.9 -25.0892 -7.50449 -26.0275 -49.006 -31.4036 -10.6138 -29.9668 -28.0401 TIMING: 3764400 CPU: 10938.2, 0.00296765/step Wall: 10938.2, 0.00296765/step, 1.01856 hours remaining, 207.867188 MB of memory in use. ENERGY: 3764400 690.3775 2087.4074 1964.0691 112.8261 -205899.7802 17670.4624 0.0000 0.0000 34315.3465 -149059.2911 299.6845 -183374.6376 -148961.6982 298.8179 77.1657 110.6361 557712.2443 -5.3734 -5.3820 PRESSURE: 3764600 169.255 21.8744 -60.1872 21.8747 119.08 76.3595 -60.1868 76.3614 211.971 GPRESSURE: 3764600 212.125 61.9091 33.7844 -45.9304 131.682 97.5971 -36.5679 94.3226 251.605 PRESSAVG: 3764600 -16.4308 15.6895 8.29948 15.6895 0.421433 -81.9268 8.29948 -81.9268 45.5029 GPRESSAVG: 3764600 -15.1864 16.6393 9.99714 15.7412 -0.243754 -82.2514 8.40441 -82.1772 44.6071 TIMING: 3764600 CPU: 10938.7, 0.00292022/step Wall: 10938.7, 0.00292022/step, 1.00212 hours remaining, 207.937500 MB of memory in use. ENERGY: 3764600 737.3404 2042.8696 1961.2541 114.9864 -206180.5571 18130.2499 0.0000 0.0000 34059.7690 -149134.0877 297.4524 -183193.8567 -149036.0526 299.4755 166.7686 198.4706 558109.7746 9.8312 9.7256 PRESSURE: 3764800 -160.699 -224.872 -48.0166 -224.872 -39.7684 -3.81439 -48.0173 -3.81364 -225.728 GPRESSURE: 3764800 -152.464 -234.647 -72.2312 -211.656 -70.3655 -18.418 -25.9845 38.673 -110.477 PRESSAVG: 3764800 45.1091 -8.83155 11.7419 -8.83161 34.7232 -1.91599 11.7418 -1.91601 -60.3717 GPRESSAVG: 3764800 44.8372 -9.78266 12.3238 -6.13205 34.758 -4.55549 11.7594 -1.72694 -59.7174 TIMING: 3764800 CPU: 10939.3, 0.0029395/step Wall: 10939.3, 0.0029395/step, 1.00858 hours remaining, 207.937500 MB of memory in use. ENERGY: 3764800 761.9823 2041.4592 1963.6961 109.0351 -206194.3755 17826.6845 0.0000 0.0000 34252.8422 -149238.6761 299.1386 -183491.5183 -149141.9577 298.7790 -142.0652 -111.1020 560369.4039 6.4869 6.6259 PRESSURE: 3765000 -19.1632 -3.87783 -24.7431 -3.87813 -81.6162 4.44225 -24.7439 4.44303 -178.434 GPRESSURE: 3765000 17.2752 37.0017 -30.6928 -75.6929 -51.8455 -44.3953 -92.8538 -33.943 -139.281 PRESSAVG: 3765000 -58.8243 34.5872 32.5082 34.5872 10.5059 -33.5438 32.5081 -33.5437 -2.43127 GPRESSAVG: 3765000 -59.7564 35.2578 31.6577 32.4874 10.3972 -30.8665 31.7287 -33.6346 -1.54686 TIMING: 3765000 CPU: 10939.9, 0.00290628/step Wall: 10939.9, 0.00290628/step, 0.997015 hours remaining, 207.937500 MB of memory in use. ENERGY: 3765000 764.8819 2023.9846 1956.1921 110.6591 -206134.1611 17847.2631 0.0000 0.0000 34318.9621 -149112.2181 299.7160 -183431.1802 -149012.5496 298.7806 -93.0711 -57.9505 559443.7015 -16.9165 -16.9687 PRESSURE: 3765200 -81.1924 78.1641 15.6523 78.1644 -120.644 -189.025 15.6522 -189.025 -5.33769 GPRESSURE: 3765200 -36.5411 85.8883 100.843 14.7721 -68.8311 -214.806 57.4182 -227.255 -12.8234 PRESSAVG: 3765200 6.04562 -10.2428 9.43321 -10.2428 6.63013 -40.5879 9.43324 -40.5879 -13.5956 GPRESSAVG: 3765200 6.855 -10.0435 9.2033 -10.3327 5.54883 -41.4188 11.5413 -40.6243 -13.8084 TIMING: 3765200 CPU: 10940.5, 0.00289948/step Wall: 10940.5, 0.00289948/step, 0.994521 hours remaining, 207.937500 MB of memory in use. ENERGY: 3765200 706.5044 2095.7510 1976.4055 112.4303 -205681.4317 17552.6282 0.0000 0.0000 34241.8256 -148995.8867 299.0424 -183237.7123 -148897.5280 299.2318 -69.0580 -39.3985 558504.7975 -0.3066 -0.4682 PRESSURE: 3765400 283.549 -20.5025 -146.011 -20.5022 169.829 -80.8441 -146.01 -80.8417 -307.053 GPRESSURE: 3765400 312.011 -17.1076 -69.5167 -1.49567 156.214 -50.4488 -162.437 -114.634 -231.135 PRESSAVG: 3765400 -46.9648 1.64131 2.87474 1.64126 76.7761 -17.9764 2.87477 -17.9763 9.43883 GPRESSAVG: 3765400 -47.7557 0.793773 5.17331 1.57791 78.7324 -17.6841 0.77248 -18.8712 8.32165 TIMING: 3765400 CPU: 10941.1, 0.00288491/step Wall: 10941.1, 0.00288491/step, 0.989363 hours remaining, 207.937500 MB of memory in use. ENERGY: 3765400 752.0400 2050.3027 2000.6519 102.0921 -205897.8896 17783.6894 0.0000 0.0000 34235.1769 -148973.9364 298.9843 -183209.1134 -148876.1076 299.9275 48.7748 79.0298 556025.1823 13.0834 13.0995 PRESSURE: 3765600 231.491 -20.1777 -51.8364 -20.1768 -200.178 132.472 -51.8375 132.472 38.2962 GPRESSURE: 3765600 302.915 -61.7721 -84.7475 -8.80776 -197.863 169.4 35.8947 175.388 61.9656 PRESSAVG: 3765600 57.6061 -48.548 -12.3857 -48.5479 15.3686 16.7875 -12.3857 16.7876 -46.0092 GPRESSAVG: 3765600 56.833 -48.0957 -14.0357 -47.6786 15.2669 18.5057 -10.0057 17.2205 -44.6818 TIMING: 3765600 CPU: 10941.7, 0.00289404/step Wall: 10941.7, 0.00289404/step, 0.992333 hours remaining, 207.937500 MB of memory in use. ENERGY: 3765600 763.8228 2088.5326 1961.0947 117.0807 -206316.1862 17984.1653 0.0000 0.0000 34372.6411 -149028.8491 300.1848 -183401.4901 -148935.6904 299.4849 23.2032 55.6725 556444.9799 8.9885 9.1394 PRESSURE: 3765800 64.9922 -176.996 -22.763 -176.996 -240.354 -147.17 -22.7611 -147.169 141.692 GPRESSURE: 3765800 21.2352 -236.295 -4.58459 -113.989 -151.264 -91.3059 -2.76955 -195.101 184.597 PRESSAVG: 3765800 13.0152 10.2403 24.5602 10.2404 0.911209 -0.653213 24.5602 -0.653173 1.54888 GPRESSAVG: 3765800 14.9307 9.18989 24.7562 12.0072 0.755634 -3.04628 23.9137 -0.922231 0.402874 TIMING: 3765800 CPU: 10942.2, 0.00288411/step Wall: 10942.2, 0.00288411/step, 0.988768 hours remaining, 207.937500 MB of memory in use. ENERGY: 3765800 737.5194 2099.4494 1970.9678 100.2245 -205720.5313 17582.5609 0.0000 0.0000 34108.1002 -149121.7091 297.8745 -183229.8093 -149025.4278 299.4264 -11.2232 18.1891 557288.4983 5.1584 5.3631 PRESSURE: 3766000 112.558 -168.661 17.9761 -168.661 -233.323 -59.8947 17.9756 -59.8945 234.296 GPRESSURE: 3766000 129.927 -79.9049 61.5794 -214.501 -139.958 -40.4274 -40.0749 -66.0176 213.023 PRESSAVG: 3766000 17.2555 12.3936 28.0803 12.3937 -20.1787 -14.4003 28.0805 -14.4002 22.3865 GPRESSAVG: 3766000 15.4941 12.4896 26.8579 11.9718 -20.4173 -12.2841 28.8712 -15.1746 23.7606 TIMING: 3766000 CPU: 10942.8, 0.00288311/step Wall: 10942.8, 0.00288311/step, 0.988266 hours remaining, 207.937500 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: 3766000 730.5613 2057.8023 1981.0190 121.1085 -205913.4203 17853.8047 0.0000 0.0000 34200.1500 -148968.9745 298.6784 -183169.1245 -148875.5731 299.3571 37.8440 67.6640 556895.2127 6.4878 6.2791 PRESSURE: 3766200 -29.5865 -63.0934 15.2691 -63.0933 113.999 116.265 15.2684 116.264 -74.2715 GPRESSURE: 3766200 69.0419 -73.0771 40.686 -12.4835 79.4406 95.1458 -8.41933 62.3568 -36.2363 PRESSAVG: 3766200 17.712 -43.9672 27.6078 -43.9673 24.6845 -44.47 27.6077 -44.47 -39.5132 GPRESSAVG: 3766200 18.808 -42.7991 26.6571 -43.9136 25.3237 -45.2841 25.9449 -43.9271 -40.8664 TIMING: 3766200 CPU: 10943.4, 0.00288632/step Wall: 10943.4, 0.00288632/step, 0.989208 hours remaining, 207.937500 MB of memory in use. ENERGY: 3766200 778.1458 2105.7542 1968.6599 105.0702 -205795.8575 17720.3903 0.0000 0.0000 34235.9554 -148881.8816 298.9911 -183117.8371 -148792.2950 299.9280 3.3805 37.4154 557106.4756 0.9611 1.0884 PRESSURE: 3766400 -52.3808 127.03 -8.97945 127.029 -165.42 -165.907 -8.97968 -165.908 -218.379 GPRESSURE: 3766400 -30.4015 96.2929 33.245 171.565 -139.465 -134.2 -7.1695 -178.266 -165.011 PRESSAVG: 3766400 -7.15929 19.528 25.8628 19.5278 -0.175945 36.4646 25.8627 36.4646 -2.76729 GPRESSAVG: 3766400 -7.65996 19.1157 26.4262 18.6249 -0.811019 34.8049 27.7839 36.9627 -1.71898 TIMING: 3766400 CPU: 10944, 0.00291079/step Wall: 10944, 0.00291079/step, 0.997431 hours remaining, 207.937500 MB of memory in use. ENERGY: 3766400 770.9810 2123.3739 1952.3988 117.7765 -205906.0278 17626.8360 0.0000 0.0000 34455.2755 -148859.3862 300.9065 -183314.6616 -148763.1768 299.9332 -145.3933 -111.6256 557497.9560 -3.3675 -3.3967 PRESSURE: 3766600 156.923 183.719 90.5423 183.72 -53.5858 -62.9683 90.5404 -62.9666 -142.446 GPRESSURE: 3766600 173.045 226.57 69.1746 141.146 -47.2587 -54.8986 110.312 -87.6686 -83.8681 PRESSAVG: 3766600 99.4391 32.5231 20.0805 32.5232 -39.0224 -29.1271 20.0806 -29.1272 -66.2747 GPRESSAVG: 3766600 100.094 34.2474 19.571 31.7753 -38.8768 -29.1078 18.9252 -29.9158 -67.3149 TIMING: 3766600 CPU: 10944.5, 0.00291624/step Wall: 10944.5, 0.00291624/step, 0.999138 hours remaining, 207.937500 MB of memory in use. ENERGY: 3766600 751.9869 2040.1586 1958.0121 115.7114 -206004.1518 17874.3249 0.0000 0.0000 34347.5857 -148916.3722 299.9660 -183263.9579 -148814.5631 299.4536 -13.0364 13.9728 557848.6921 -1.9527 -2.0326 PRESSURE: 3766800 210.166 -9.30803 -108.073 -9.30728 200.39 -18.9979 -108.075 -18.9994 381.142 GPRESSURE: 3766800 268.521 -20.8247 -123.693 -38.9773 161.271 -46.9201 -185.234 26.7425 462.09 PRESSAVG: 3766800 73.3708 48.1688 -0.423264 48.1688 -89.3039 -2.6493 -0.42328 -2.64933 77.9754 GPRESSAVG: 3766800 74.0689 47.2075 1.43348 48.6822 -90.1868 -1.60168 0.238282 -1.39933 78.713 TIMING: 3766800 CPU: 10945.1, 0.00292271/step Wall: 10945.1, 0.00292271/step, 1.00119 hours remaining, 207.937500 MB of memory in use. ENERGY: 3766800 706.9274 2037.2594 1982.4751 116.3367 -206393.7432 17994.3870 0.0000 0.0000 34469.5383 -149086.8194 301.0311 -183556.3577 -148989.8778 300.1360 263.8994 297.2944 554863.0877 20.6808 20.8650 PRESSURE: 3767000 29.9179 -16.4667 62.7427 -16.4672 -106.828 97.3666 62.7431 97.3672 -36.4411 GPRESSURE: 3767000 48.4702 -78.3951 47.3793 11.6559 -48.9712 10.3746 70.9645 133.436 -1.49761 PRESSAVG: 3767000 32.6942 19.9444 -40.7281 19.9443 -48.3152 -9.95058 -40.7281 -9.95058 2.2981 GPRESSAVG: 3767000 31.1856 19.0855 -41.64 21.2274 -47.7719 -11.0341 -41.6148 -11.3707 3.64782 TIMING: 3767000 CPU: 10945.7, 0.00291084/step Wall: 10945.7, 0.00291084/step, 0.996962 hours remaining, 207.937500 MB of memory in use. ENERGY: 3767000 685.3041 2077.1976 1976.9645 128.5774 -205964.8318 17798.7605 0.0000 0.0000 34206.1895 -149091.8382 298.7312 -183298.0277 -148994.1418 299.3950 -37.7838 -0.6662 558173.1638 -4.4410 -4.3129 PRESSURE: 3767200 165.461 -1.62492 -81.5389 -1.6242 182.871 39.3956 -81.5396 39.3961 116.295 GPRESSURE: 3767200 230.638 31.5625 -117.284 -10.8337 185.06 71.7997 -73.5106 43.7158 139.415 PRESSAVG: 3767200 55.2996 1.7996 3.98621 1.79974 -10.4357 -27.9499 3.98625 -27.9498 -31.8702 GPRESSAVG: 3767200 56.1314 4.81713 4.93018 -0.566967 -10.9244 -26.3451 2.64196 -28.8877 -32.5217 TIMING: 3767200 CPU: 10946.3, 0.00293476/step Wall: 10946.3, 0.00293476/step, 1.00499 hours remaining, 207.937500 MB of memory in use. ENERGY: 3767200 705.1409 2100.5421 1964.3986 110.4551 -206286.5703 18001.0035 0.0000 0.0000 34336.6302 -149068.3999 299.8703 -183405.0300 -148971.6218 300.0181 154.8756 185.0379 555997.9277 4.3312 4.2284 PRESSURE: 3767400 -67.373 -36.4437 -28.4377 -36.444 -64.7175 -13.4603 -28.4385 -13.4607 -35.8055 GPRESSURE: 3767400 -60.1834 38.5665 6.23134 -109.333 -27.9226 -40.0838 -30.0198 79.672 15.1192 PRESSAVG: 3767400 27.8818 5.24152 2.71753 5.24158 -33.1418 -34.5893 2.71748 -34.5893 17.631 GPRESSAVG: 3767400 27.1542 2.70117 2.92294 6.875 -32.9171 -34.9845 5.63011 -33.8928 17.3408 TIMING: 3767400 CPU: 10946.9, 0.00291427/step Wall: 10946.9, 0.00291427/step, 0.997815 hours remaining, 207.937500 MB of memory in use. ENERGY: 3767400 730.7436 2121.4434 1969.7090 106.6756 -206137.2165 17785.4073 0.0000 0.0000 34259.9959 -149163.2417 299.2011 -183423.2376 -149065.5693 300.3462 -55.9654 -24.3289 557723.4468 4.1237 3.8593 PRESSURE: 3767600 -83.5152 119.318 -133.911 119.319 -89.2039 -124.544 -133.911 -124.545 -96.6255 GPRESSURE: 3767600 -37.2052 71.4877 -174.88 111.158 -87.2113 -118.767 -63.2447 -46.497 -43.2693 PRESSAVG: 3767600 56.8779 61.3587 -7.25557 61.3587 -24.9601 -1.06981 -7.25556 -1.06977 -19.7404 GPRESSAVG: 3767600 55.6468 59.5993 -9.05924 63.9065 -24.5444 -2.49267 -8.75347 -0.661811 -19.2407 TIMING: 3767600 CPU: 10947.5, 0.00290746/step Wall: 10947.5, 0.00290746/step, 0.995319 hours remaining, 207.937500 MB of memory in use. ENERGY: 3767600 726.1631 2054.2951 1961.5821 112.0958 -205678.8167 17493.3813 0.0000 0.0000 34240.7635 -149090.5358 299.0331 -183331.2994 -148997.1825 299.5677 -89.7815 -55.8952 556650.8211 4.0591 3.9539 PRESSURE: 3767800 225.279 -45.169 8.56202 -45.1688 -9.10583 205.895 8.56199 205.897 6.83737 GPRESSURE: 3767800 232.352 -3.50609 8.76042 -51.1573 13.6404 224.778 -18.2277 182.156 72.7608 PRESSAVG: 3767800 4.90839 14.9165 -48.3349 14.9166 8.28204 -15.4212 -48.335 -15.4213 0.169417 GPRESSAVG: 3767800 4.16019 15.9014 -47.8513 13.5187 7.7639 -15.4751 -48.8273 -15.7891 1.41795 TIMING: 3767800 CPU: 10948, 0.00291444/step Wall: 10948, 0.00291444/step, 0.99755 hours remaining, 207.937500 MB of memory in use. ENERGY: 3767800 718.8434 2101.1556 1958.4564 109.5303 -206185.6382 17908.0752 0.0000 0.0000 34246.6406 -149142.9367 299.0844 -183389.5773 -149050.6116 300.0846 74.3369 106.2512 558269.4812 4.4533 4.4473 PRESSURE: 3768000 -74.3382 103.248 70.2394 103.247 73.5608 -19.8629 70.2381 -19.8639 -24.0599 GPRESSURE: 3768000 -39.4704 106.023 -29.3488 51.27 110.537 78.0329 76.0983 -39.0606 3.70933 PRESSAVG: 3768000 -14.1511 44.5187 -106.204 44.5188 -10.1801 14.9361 -106.204 14.936 6.11057 GPRESSAVG: 3768000 -12.9948 45.1065 -108.673 44.0468 -9.51217 13.5485 -104.81 14.2568 3.81189 TIMING: 3768000 CPU: 10948.6, 0.00292158/step Wall: 10948.6, 0.00292158/step, 0.999828 hours remaining, 207.937500 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: 3768000 720.9144 2071.7192 1977.0468 115.7852 -206102.1980 17831.1887 0.0000 0.0000 34314.7823 -149070.7615 299.6795 -183385.5438 -148982.1120 299.8175 -8.2791 24.9252 557222.5741 -6.0735 -6.2317 PRESSURE: 3768200 107 -57.7293 186.298 -57.7297 -45.8581 11.8737 186.298 11.8761 -131.223 GPRESSURE: 3768200 139.73 -97.9713 211.826 2.74913 -44.5216 33.3781 197.241 4.40718 -75.9652 PRESSAVG: 3768200 42.228 -16.4896 -45.297 -16.4896 -12.6542 -33.3998 -45.297 -33.3998 -7.41525 GPRESSAVG: 3768200 41.9123 -17.2407 -41.0551 -15.9535 -13.1602 -30.7869 -47.9073 -31.7803 -6.98343 TIMING: 3768200 CPU: 10949.2, 0.00291592/step Wall: 10949.2, 0.00291592/step, 0.997729 hours remaining, 207.937500 MB of memory in use. ENERGY: 3768200 721.4306 2116.9176 1955.4792 106.0609 -206312.7012 17872.9385 0.0000 0.0000 34267.2059 -149272.6685 299.2640 -183539.8744 -149180.8839 299.4399 -23.3603 6.4143 557788.2169 7.3862 7.2562 LDB: ============= START OF LOAD BALANCING ============== 10952.7 LDB: ============== END OF LOAD BALANCING =============== 10952.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10952.7 LDB: ============= START OF LOAD BALANCING ============== 10953 LDB: Largest compute 4848 load 0.028652 is 24.3% of average load 0.117852 LDB: Average compute 0.001718 is 1.5% of average load 0.117852 LDB: TIME 10953 LOAD: AVG 0.117852 MAX 0.185249 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.605 MB LDB: TIME 10953 LOAD: AVG 0.117852 MAX 0.185249 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: TIME 10953 LOAD: AVG 0.117852 MAX 0.185249 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.605 MB LDB: ============== END OF LOAD BALANCING =============== 10953 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10953 PRESSURE: 3768400 108.708 -14.9595 45.4486 -14.9588 216.656 -29.3857 45.4482 -29.3863 -281.657 GPRESSURE: 3768400 102.483 54.4857 73.322 -110.386 202.797 -39.624 100.536 -62.7482 -175.814 PRESSAVG: 3768400 -19.4196 -20.6179 20.0144 -20.6179 6.06486 20.274 20.0144 20.274 -42.1246 GPRESSAVG: 3768400 -19.197 -20.4997 19.4095 -21.9378 5.96207 19.1902 20.8732 19.2851 -42.338 TIMING: 3768400 CPU: 10949.8, 0.00298267/step Wall: 10949.8, 0.00298267/step, 1.02041 hours remaining, 207.875000 MB of memory in use. ENERGY: 3768400 741.9901 2057.0248 1967.1190 123.8960 -206038.2346 17812.2636 0.0000 0.0000 34221.0528 -149114.8883 298.8610 -183335.9411 -149009.2545 298.6432 14.5692 43.1553 557968.6423 -18.4931 -18.5243 PRESSURE: 3768600 -219.742 -127.334 -121.32 -127.333 -412.272 26.5946 -121.322 26.5939 -362.192 GPRESSURE: 3768600 -202.73 -129.385 -13.6581 -60.5668 -373.489 28.413 -88.9401 38.4627 -318.469 PRESSAVG: 3768600 -14.4582 -69.456 -4.09162 -69.456 -8.92858 6.31988 -4.09165 6.31994 72.5714 GPRESSAVG: 3768600 -13.6355 -70.6402 -3.51222 -66.6603 -7.90706 4.62152 -3.54628 6.49103 71.1971 TIMING: 3768600 CPU: 10950.4, 0.00293196/step Wall: 10950.4, 0.00293196/step, 1.00289 hours remaining, 208.078125 MB of memory in use. ENERGY: 3768600 768.5208 2153.7272 1961.1771 104.6878 -205627.8067 17412.4485 0.0000 0.0000 34062.3353 -149164.9100 297.4748 -183227.2454 -149066.1633 299.7910 -331.4018 -298.2293 558991.0951 16.3949 16.5515 PRESSURE: 3768800 105.478 60.5725 32.0368 60.5729 -182.38 16.7758 32.0358 16.7759 -63.322 GPRESSURE: 3768800 135.65 54.7455 29.5969 98.6237 -122.129 113.374 115.139 53.2761 -63.2079 PRESSAVG: 3768800 -0.259187 16.7481 33.585 16.7481 27.15 43.1886 33.5849 43.1888 -10.7298 GPRESSAVG: 3768800 -0.45395 17.7126 33.0754 15.0876 25.4757 44.8068 32.3139 43.7788 -9.82996 TIMING: 3768800 CPU: 10951, 0.00292135/step Wall: 10951, 0.00292135/step, 0.999103 hours remaining, 208.078125 MB of memory in use. ENERGY: 3768800 745.9467 2145.6828 1967.4681 111.7006 -206036.6851 17766.3404 0.0000 0.0000 34098.6573 -149200.8892 297.7921 -183299.5465 -149108.8000 298.7218 -46.7414 -16.5625 558910.0906 5.3870 5.0639 PRESSURE: 3769000 -109.62 80.348 53.5108 80.3476 -180.974 90.2091 53.5103 90.211 -76.7952 GPRESSURE: 3769000 -112.063 51.6043 -23.8316 75.188 -142.506 45.0185 124.252 174.959 -14.6355 PRESSAVG: 3769000 -5.84056 8.01455 84.057 8.01456 6.40808 24.5431 84.0571 24.5429 23.5361 GPRESSAVG: 3769000 -6.82423 8.43877 82.304 9.69776 7.11231 23.8592 87.0532 24.2222 23.7792 TIMING: 3769000 CPU: 10951.6, 0.00289449/step Wall: 10951.6, 0.00289449/step, 0.989754 hours remaining, 208.078125 MB of memory in use. ENERGY: 3769000 747.8298 2076.9427 1955.7110 108.6578 -206073.7877 17714.2222 0.0000 0.0000 34311.8048 -149158.6195 299.6535 -183470.4243 -149064.4491 299.0211 -122.4629 -89.7347 558986.5199 8.0345 8.0224 PRESSURE: 3769200 -166.797 96.041 -114.414 96.0411 106.309 -17.492 -114.414 -17.4919 -337.393 GPRESSURE: 3769200 -113.21 89.1156 -27.7549 74.3214 113.542 -60.6701 -166.43 -17.8396 -305.922 PRESSAVG: 3769200 42.8924 43.6068 77.4698 43.6069 -41.593 2.02632 77.4698 2.02633 -38.3495 GPRESSAVG: 3769200 43.2934 42.2975 79.2459 41.8397 -41.5188 2.78734 76.1033 1.45283 -39.0183 TIMING: 3769200 CPU: 10952.1, 0.00290854/step Wall: 10952.1, 0.00290854/step, 0.994397 hours remaining, 208.078125 MB of memory in use. ENERGY: 3769200 757.6685 2051.8048 1965.0364 123.8543 -206172.1511 17743.9720 0.0000 0.0000 34377.5339 -149152.2812 300.2276 -183529.8151 -149053.4353 300.4231 -132.6272 -101.8634 559763.0580 -12.3500 -12.4146 PRESSURE: 3769400 -102.281 -75.2123 -87.1047 -75.2119 178.03 8.52048 -87.1066 8.5209 -81.916 GPRESSURE: 3769400 -75.4845 -69.4442 15.6894 -99.4455 203 21.043 -137.243 -94.8564 -36.2257 PRESSAVG: 3769400 42.2348 21.4819 15.9703 21.4819 -23.6153 -25.6906 15.9704 -25.6906 6.52543 GPRESSAVG: 3769400 42.4817 22.6812 13.3906 22.0752 -24.6228 -26.5484 17.1581 -23.4861 7.3682 TIMING: 3769400 CPU: 10952.7, 0.00289408/step Wall: 10952.7, 0.00289408/step, 0.989294 hours remaining, 208.078125 MB of memory in use. ENERGY: 3769400 743.9524 2112.4286 1948.0582 113.2417 -206369.6493 18004.6180 0.0000 0.0000 34253.9465 -149193.4039 299.1482 -183447.3504 -149098.5657 299.1948 -2.0556 30.4299 558116.3396 8.3816 8.4090 PRESSURE: 3769600 115.922 6.17203 -38.1529 6.17368 195.227 107.32 -38.154 107.318 13.1569 GPRESSURE: 3769600 124.719 72.5758 -3.68187 -79.6658 197.215 100.386 -22.529 25.4917 88.9216 PRESSAVG: 3769600 21.463 -10.3204 -0.698426 -10.3203 -47.9491 -40.7526 -0.698446 -40.7525 -11.0424 GPRESSAVG: 3769600 21.8904 -10.383 0.485833 -11.1316 -47.7692 -40.6879 -1.8911 -43.1013 -11.3921 TIMING: 3769600 CPU: 10953.3, 0.00291892/step Wall: 10953.3, 0.00291892/step, 0.997623 hours remaining, 208.078125 MB of memory in use. ENERGY: 3769600 762.1041 2046.8401 1967.6151 119.3210 -206473.5250 18037.1133 0.0000 0.0000 34335.3972 -149205.1342 299.8596 -183540.5314 -149109.2121 298.7884 108.1020 136.9517 558825.9328 -12.5095 -12.4237 PRESSURE: 3769800 -170.664 -145.048 47.7918 -145.048 -336.261 -11.8802 47.7912 -11.8803 -46.2542 GPRESSURE: 3769800 -176.309 -93.2728 22.4543 -122.737 -274.637 58.8826 43.119 -103.557 -4.57197 PRESSAVG: 3769800 9.80531 -68.6332 -10.5563 -68.6332 29.8593 -4.919 -10.5562 -4.91891 -44.8058 GPRESSAVG: 3769800 10.0822 -70.9123 -11.0324 -66.3619 29.0721 -4.86538 -10.0692 -4.65978 -44.0578 TIMING: 3769800 CPU: 10953.9, 0.00291313/step Wall: 10953.9, 0.00291313/step, 0.99548 hours remaining, 208.078125 MB of memory in use. ENERGY: 3769800 738.4806 2109.5346 1982.8866 97.3171 -206041.8827 17599.4535 0.0000 0.0000 34213.3771 -149300.8333 298.7939 -183514.2105 -149195.4572 298.5143 -184.3929 -151.8392 559681.2884 -1.7137 -1.6345 PRESSURE: 3770000 -27.267 -90.6796 -24.4623 -90.6806 -51.4065 123.634 -24.4618 123.634 139.385 GPRESSURE: 3770000 38.3654 -72.8379 9.39052 -83.8933 -33.7873 101.854 7.30162 168.438 143.954 PRESSAVG: 3770000 -5.59348 -37.9521 -35.2641 -37.952 -13.1857 37.0671 -35.2641 37.0672 33.3833 GPRESSAVG: 3770000 -5.44863 -36.258 -33.4738 -41.3579 -13.1495 36.797 -35.6775 36.7566 33.1072 TIMING: 3770000 CPU: 10954.5, 0.00289391/step Wall: 10954.5, 0.00289391/step, 0.988753 hours remaining, 208.078125 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: 3770000 759.0434 2110.5290 1985.7293 111.3943 -206102.9841 17765.8463 0.0000 0.0000 34068.5646 -149301.8771 297.5292 -183370.4418 -149209.3157 297.9849 20.2371 49.5106 558532.0771 4.8680 4.8364 PRESSURE: 3770200 -62.2375 -38.8229 -28.2697 -38.8233 -106.732 148.315 -28.2697 148.317 -29.914 GPRESSURE: 3770200 -11.7409 -23.1393 -1.08308 -15.8122 -82.7792 198.155 -3.25457 127.195 -9.17847 PRESSAVG: 3770200 -13.0548 15.5544 6.7866 15.5544 34.2129 -9.67523 6.78665 -9.67508 10.0894 GPRESSAVG: 3770200 -14.0121 14.3691 6.62948 18.4185 35.4913 -8.09898 7.10887 -10.5547 9.3788 TIMING: 3770200 CPU: 10955, 0.00288719/step Wall: 10955, 0.00288719/step, 0.986295 hours remaining, 208.078125 MB of memory in use. ENERGY: 3770200 763.8902 2123.3374 1969.3312 110.0576 -206393.6849 17868.6953 0.0000 0.0000 34146.7914 -149411.5818 298.2124 -183558.3733 -149315.1523 298.1814 -66.2946 -34.5662 558046.9372 10.4158 10.2860 PRESSURE: 3770400 58.1278 94.7739 18.6544 94.7742 29.7777 -16.9985 18.6552 -16.9985 90.9733 GPRESSURE: 3770400 73.1419 56.778 -82.0373 100.791 83.1148 -33.902 32.4704 -37.2971 110.742 PRESSAVG: 3770400 -20.6162 18.8033 -80.5219 18.8033 -7.85479 -16.1026 -80.5219 -16.1025 18.2114 GPRESSAVG: 3770400 -19.4974 18.6979 -81.7648 18.7546 -8.23178 -16.3018 -80.7058 -15.5291 17.2931 TIMING: 3770400 CPU: 10955.6, 0.0028946/step Wall: 10955.6, 0.0028946/step, 0.988668 hours remaining, 208.078125 MB of memory in use. ENERGY: 3770400 763.8068 2065.5538 1959.2730 112.1541 -206858.3716 18184.3027 0.0000 0.0000 34395.9433 -149377.3378 300.3883 -183773.2811 -149279.0743 298.3164 59.6263 88.9996 558448.4013 -3.4198 -3.4787 PRESSURE: 3770600 12.9613 53.6889 -105.626 53.6877 -6.94414 -21.6064 -105.627 -21.6062 -95.5997 GPRESSURE: 3770600 13.1248 79.9228 -117.526 96.8256 64.9196 -30.5592 -89.1142 -83.5269 -80.8371 PRESSAVG: 3770600 16.4744 17.2322 -22.8766 17.2322 -51.8125 14.4419 -22.8766 14.442 19.849 GPRESSAVG: 3770600 15.8633 18.9132 -22.2732 17.9952 -53.1026 13.7637 -22.7454 16.5947 20.9528 TIMING: 3770600 CPU: 10956.2, 0.00290262/step Wall: 10956.2, 0.00290262/step, 0.991244 hours remaining, 208.078125 MB of memory in use. ENERGY: 3770600 744.9484 2092.5340 1950.0101 110.7120 -206079.1915 17866.3961 0.0000 0.0000 33997.6821 -149316.9088 296.9102 -183314.5910 -149226.5631 298.1905 -29.8609 -0.9309 558683.5810 -5.1630 -5.4289 PRESSURE: 3770800 -198.122 172.787 25.1678 172.787 12.5285 47.3682 25.1683 47.3684 -140.058 GPRESSURE: 3770800 -148.399 120.649 46.3796 124.422 32.7051 72.9025 21.0352 68.1166 -110.292 PRESSAVG: 3770800 -26.696 7.52006 -40.3611 7.52013 -54.5861 40.0438 -40.3612 40.0438 57.369 GPRESSAVG: 3770800 -26.247 6.99931 -42.7467 6.4264 -53.8162 41.7478 -40.3049 37.8486 56.2848 TIMING: 3770800 CPU: 10956.8, 0.00293032/step Wall: 10956.8, 0.00293032/step, 1.00054 hours remaining, 208.078125 MB of memory in use. ENERGY: 3770800 707.8960 2113.1427 1972.7760 112.3753 -206260.5745 17850.1411 0.0000 0.0000 34229.5861 -149274.6574 298.9355 -183504.2435 -149176.7016 297.5833 -108.5504 -75.3285 559393.4442 -7.9710 -7.9262 PRESSURE: 3771000 -0.917484 86.4868 34.5032 86.4866 201.137 50.6301 34.5033 50.6282 -40.003 GPRESSURE: 3771000 90.7289 114.633 93.532 121.448 184.46 114.641 -3.71177 49.4598 -17.1332 PRESSAVG: 3771000 -69.9651 -37.862 -8.66599 -37.8619 52.8942 -9.7989 -8.66599 -9.79888 6.05074 GPRESSAVG: 3771000 -70.1386 -38.7723 -6.84085 -38.2665 51.2537 -11.6629 -8.3788 -7.23034 7.17679 TIMING: 3771000 CPU: 10957.4, 0.00288201/step Wall: 10957.4, 0.00288201/step, 0.983887 hours remaining, 208.078125 MB of memory in use. ENERGY: 3771000 746.1545 2136.8983 1928.4732 116.7260 -206364.4016 17913.3539 0.0000 0.0000 34159.2662 -149363.5296 298.3214 -183522.7957 -149269.1695 298.4038 53.4056 86.0185 558220.7980 -3.6734 -3.9027 PRESSURE: 3771200 -47.0327 -109.235 -149.594 -109.236 -78.3647 60.6088 -149.594 60.6089 -236.402 GPRESSURE: 3771200 42.2936 -69.2834 -152.483 -79.8699 -75.5895 125.991 -177.618 4.43067 -220.958 PRESSAVG: 3771200 37.959 31.3876 -46.0277 31.3875 -5.48479 13.845 -46.0276 13.8449 11.0279 GPRESSAVG: 3771200 38.7595 33.386 -45.5462 31.6243 -4.74106 15.4203 -45.9393 12.1878 9.98529 TIMING: 3771200 CPU: 10957.9, 0.0028791/step Wall: 10957.9, 0.0028791/step, 0.982732 hours remaining, 208.078125 MB of memory in use. ENERGY: 3771200 781.1950 2071.2638 1973.2282 121.6643 -206394.8188 17831.9834 0.0000 0.0000 34295.8388 -149319.6452 299.5141 -183615.4840 -149221.4745 298.6342 -120.5998 -84.7514 558316.2972 14.5007 14.6679 PRESSURE: 3771400 61.3264 219.486 -80.9265 219.486 164.271 65.1103 -80.9279 65.1103 -120.72 GPRESSURE: 3771400 106.289 213.076 -43.8411 257.783 176.317 76.0997 -46.2042 14.9688 -79.3479 PRESSAVG: 3771400 25.6038 -29.7679 2.98118 -29.768 45.328 -27.2262 2.9812 -27.2263 -11.5046 GPRESSAVG: 3771400 25.5669 -30.3318 -0.29349 -30.5835 45.6832 -27.4169 2.22548 -27.449 -11.0213 TIMING: 3771400 CPU: 10958.5, 0.00288101/step Wall: 10958.5, 0.00288101/step, 0.983225 hours remaining, 208.078125 MB of memory in use. ENERGY: 3771400 747.2851 2047.4080 1968.0565 111.8620 -206192.1370 17885.9134 0.0000 0.0000 34157.9380 -149273.6741 298.3098 -183431.6121 -149176.2148 299.1173 34.9592 67.7530 556173.4352 19.8091 20.0763 PRESSURE: 3771600 179.599 112.002 90.9784 112.002 20.628 -140.004 90.9774 -140.005 49.5831 GPRESSURE: 3771600 231.373 58.5096 54.2068 172.879 26.3827 -146.348 97.3767 -72.6821 86.687 PRESSAVG: 3771600 2.51423 -8.19208 42.9335 -8.1921 52.0033 -9.26933 42.9335 -9.26936 -44.0289 GPRESSAVG: 3771600 1.65733 -9.37632 45.3193 -8.89996 52.1756 -8.98486 43.0644 -8.54565 -43.6279 TIMING: 3771600 CPU: 10959.1, 0.00290827/step Wall: 10959.1, 0.00290827/step, 0.992365 hours remaining, 208.078125 MB of memory in use. ENERGY: 3771600 731.7716 2066.6441 1975.6818 110.6329 -206276.8250 17897.2773 0.0000 0.0000 34280.2571 -149214.5601 299.3780 -183494.8173 -149115.1750 298.9410 83.2700 114.8142 556685.5028 3.4962 3.4017 PRESSURE: 3771800 309.204 -109.781 155.398 -109.784 6.46503 100.552 155.397 100.555 210.142 GPRESSURE: 3771800 320.762 -66.6696 135.133 -124.237 53.9977 94.2299 149.605 135.873 241.081 PRESSAVG: 3771800 14.0572 25.5296 34.6104 25.5297 -9.03853 -45.2663 34.6104 -45.2663 13.8213 GPRESSAVG: 3771800 14.6287 23.6931 35.1427 26.4871 -8.28963 -46.8693 34.6897 -44.4029 12.543 TIMING: 3771800 CPU: 10959.7, 0.00291052/step Wall: 10959.7, 0.00291052/step, 0.992973 hours remaining, 208.078125 MB of memory in use. ENERGY: 3771800 723.7825 2094.4575 1978.2608 113.4139 -206767.5380 18145.7824 0.0000 0.0000 34109.3015 -149602.5393 297.8850 -183711.8408 -149505.2546 298.6960 175.2705 205.2802 556159.0060 6.2800 6.2940 PRESSURE: 3772000 33.1448 -217.131 -83.9294 -217.131 -25.4422 -170.996 -83.9296 -170.994 436.833 GPRESSURE: 3772000 39.6779 -132.578 -33.4741 -202.577 -29.0147 -197.679 -153.932 -70.3624 533.014 PRESSAVG: 3772000 -30.1338 -64.0956 -0.412372 -64.0956 -98.2433 -8.697 -0.412403 -8.69695 48.8126 GPRESSAVG: 3772000 -31.7803 -60.0276 -3.18221 -65.9216 -99.1957 -8.68862 0.982091 -9.94961 51.6816 TIMING: 3772000 CPU: 10960.3, 0.0028917/step Wall: 10960.3, 0.0028917/step, 0.986391 hours remaining, 208.078125 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: 3772000 752.0000 2085.8119 1995.1125 104.5301 -206643.3680 18086.2076 0.0000 0.0000 34132.9315 -149486.7745 298.0914 -183619.7060 -149390.4994 297.6934 148.1785 181.2258 556140.2183 -26.5215 -26.4315 PRESSURE: 3772200 -34.9156 -16.0548 27.0731 -16.0543 -129.006 18.6113 27.0734 18.6112 -57.1544 GPRESSURE: 3772200 16.982 -14.7225 22.1709 -58.5814 -83.7366 -62.5712 14.7022 122.484 -58.1507 PRESSAVG: 3772200 -11.8044 -53.698 -67.998 -53.6979 14.1711 -36.8123 -67.998 -36.8122 2.83081 GPRESSAVG: 3772200 -10.9079 -57.4282 -66.8429 -51.5019 14.4044 -36.3586 -68.6195 -36.66 1.27671 TIMING: 3772200 CPU: 10960.8, 0.00289486/step Wall: 10960.8, 0.00289486/step, 0.987307 hours remaining, 208.078125 MB of memory in use. ENERGY: 3772200 785.1245 2070.8551 1975.1210 108.4680 -206293.3858 17821.7900 0.0000 0.0000 34124.6137 -149407.4135 298.0187 -183532.0273 -149316.2274 298.4426 -73.6922 -41.6351 557453.0231 1.7325 1.5911 LDB: ============= START OF LOAD BALANCING ============== 10964.3 LDB: ============== END OF LOAD BALANCING =============== 10964.3 LDB: =============== DONE WITH MIGRATION ================ 10964.3 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10964.6 LDB: Largest compute 4848 load 0.028293 is 24.0% of average load 0.117929 LDB: Average compute 0.001718 is 1.5% of average load 0.117929 LDB: TIME 10964.6 LOAD: AVG 0.117929 MAX 0.18671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.477 MB LDB: TIME 10964.6 LOAD: AVG 0.117929 MAX 0.18671 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: TIME 10964.6 LOAD: AVG 0.117929 MAX 0.18671 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.68 MB LDB: ============== END OF LOAD BALANCING =============== 10964.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10964.6 PRESSURE: 3772400 -269.798 -126.023 13.9362 -126.022 -55.5077 33.8549 13.9363 33.8537 95.2976 GPRESSURE: 3772400 -215.854 -84.1415 45.6338 -233.875 -28.3379 52.1117 -37.8371 -46.4055 100.403 PRESSAVG: 3772400 23.4534 29.5453 -25.1108 29.5453 -30.566 24.0486 -25.1109 24.0486 61.4337 GPRESSAVG: 3772400 24.8712 31.5341 -25.7625 28.3692 -31.8817 25.2523 -23.9098 22.2974 61.3387 TIMING: 3772400 CPU: 10961.4, 0.00295018/step Wall: 10961.4, 0.00295018/step, 1.00601 hours remaining, 206.843750 MB of memory in use. ENERGY: 3772400 728.1436 2070.3219 1961.8185 112.9167 -206249.8280 17745.1927 0.0000 0.0000 34026.2708 -149605.1638 297.1599 -183631.4346 -149505.5407 298.7902 -76.6695 -47.9294 557853.7105 18.1070 18.1094 PRESSURE: 3772600 74.1937 -40.9215 -89.1099 -40.9218 66.7874 20.3836 -89.1117 20.3835 -171.091 GPRESSURE: 3772600 128.766 -61.0429 -51.3775 -82.5999 123.745 109.375 -82.9225 -25.4554 -191.702 PRESSAVG: 3772600 -20.9734 -3.45958 -19.9775 -3.45958 56.1828 -28.6567 -19.9775 -28.6567 -22.4577 GPRESSAVG: 3772600 -21.841 -4.17963 -18.6723 -2.31711 57.2413 -28.8765 -21.5821 -25.2954 -22.6771 TIMING: 3772600 CPU: 10962, 0.00290403/step Wall: 10962, 0.00290403/step, 0.990114 hours remaining, 207.343750 MB of memory in use. ENERGY: 3772600 750.3947 2105.7159 1980.9823 108.2454 -206680.9224 17888.9555 0.0000 0.0000 34355.0252 -149491.6033 300.0310 -183846.6286 -149399.2271 298.5793 -10.0367 20.2696 556258.8612 4.2506 4.2411 PRESSURE: 3772800 125.185 -103.757 54.3603 -103.757 95.4018 -20.6263 54.3605 -20.6261 210.322 GPRESSURE: 3772800 154.419 -111.139 23.6779 -67.1332 156.445 33.7062 80.8228 -9.91043 225.398 PRESSAVG: 3772800 45.6658 47.901 15.2798 47.9011 -3.22896 4.22244 15.2798 4.22238 -76.4443 GPRESSAVG: 3772800 45.3138 47.8546 17.1418 45.1604 -2.84306 3.64254 14.8522 2.48511 -76.7788 TIMING: 3772800 CPU: 10962.6, 0.00289242/step Wall: 10962.6, 0.00289242/step, 0.985994 hours remaining, 207.414062 MB of memory in use. ENERGY: 3772800 773.4353 2075.6617 1958.8984 115.8914 -206960.8565 18182.6478 0.0000 0.0000 34321.5116 -149532.8103 299.7383 -183854.3219 -149435.1428 298.2386 143.6363 178.7538 556539.8717 -11.3358 -11.4360 PRESSURE: 3773000 81.0012 51.7714 109.761 51.7719 29.4647 -19.9899 109.76 -19.9905 84.6937 GPRESSURE: 3773000 149.665 0.382974 129.259 49.4487 71.7207 -10.5805 136.979 8.87176 73.6808 PRESSAVG: 3773000 67.3289 10.842 -7.89489 10.842 -61.4971 -20.6073 -7.89485 -20.6073 -3.60701 GPRESSAVG: 3773000 67.3019 11.3217 -8.76758 13.6567 -61.8506 -20.9042 -7.6806 -19.0836 -3.29354 TIMING: 3773000 CPU: 10963.2, 0.00291877/step Wall: 10963.2, 0.00291877/step, 0.994815 hours remaining, 207.414062 MB of memory in use. ENERGY: 3773000 710.9339 2123.1775 2007.4979 117.1290 -206608.7669 17831.2604 0.0000 0.0000 34322.6342 -149496.1340 299.7481 -183818.7682 -149396.2451 298.7174 65.0532 98.3554 556540.0130 0.7416 0.7193 PRESSURE: 3773200 6.65738 -19.0435 17.549 -19.0438 121.189 92.4292 17.5484 92.43 -40.8264 GPRESSURE: 3773200 56.4737 42.6907 -41.5089 21.8443 110.953 71.061 31.6299 139.285 -0.892992 PRESSAVG: 3773200 51 -3.01515 -11.9265 -3.01514 -61.6566 13.8765 -11.9265 13.8764 1.98542 GPRESSAVG: 3773200 51.5231 -3.67338 -13.6611 -1.01767 -61.7466 14.7329 -12.1681 11.2912 1.43783 TIMING: 3773200 CPU: 10963.8, 0.00292056/step Wall: 10963.8, 0.00292056/step, 0.995262 hours remaining, 207.414062 MB of memory in use. ENERGY: 3773200 755.2741 2044.0930 1958.0662 128.7694 -206743.1813 17851.1736 0.0000 0.0000 34269.0562 -149736.7488 299.2802 -184005.8050 -149639.9150 298.1760 29.0067 55.5111 554941.3783 -2.8904 -2.9286 PRESSURE: 3773400 -11.0442 -146.077 -90.1206 -146.076 -173.044 17.816 -90.1218 17.8174 41.6483 GPRESSURE: 3773400 79.8704 -192.718 -76.4974 -125.577 -139.385 35.6686 -130.546 -100.986 17.4829 PRESSAVG: 3773400 17.3813 -2.29062 18.8013 -2.29071 -22.2219 0.585646 18.8014 0.585641 66.724 GPRESSAVG: 3773400 18.0072 -2.67207 19.3935 -3.53125 -22.4473 0.656984 19.299 1.64447 66.4316 TIMING: 3773400 CPU: 10964.3, 0.00291346/step Wall: 10964.3, 0.00291346/step, 0.992682 hours remaining, 207.414062 MB of memory in use. ENERGY: 3773400 775.4008 2062.3515 1980.2483 135.3775 -206731.8273 18003.5799 0.0000 0.0000 34094.8716 -149679.9976 297.7590 -183774.8692 -149585.2918 297.5074 -47.4801 -14.0107 557476.7577 20.6278 20.6638 PRESSURE: 3773600 1.94931 -94.3816 -21.7603 -94.3808 67.6905 2.64019 -21.7611 2.63974 88.4129 GPRESSURE: 3773600 70.7472 -61.0318 -40.857 -102.377 120.326 85.7926 -1.61658 -27.1904 67.0879 PRESSAVG: 3773600 -74.063 -37.2826 -41.2143 -37.2826 56.9378 17.271 -41.2144 17.2711 32.5533 GPRESSAVG: 3773600 -75.5004 -34.972 -40.7257 -38.1475 57.6907 16.5117 -41.8108 17.5825 32.7671 TIMING: 3773600 CPU: 10964.9, 0.00291467/step Wall: 10964.9, 0.00291467/step, 0.992931 hours remaining, 207.414062 MB of memory in use. ENERGY: 3773600 743.5354 2086.2157 1978.4530 120.2746 -206456.9202 18018.3664 0.0000 0.0000 33833.7067 -149676.3685 295.4782 -183510.0751 -149582.0960 297.2054 52.6842 86.0537 558032.9456 5.1427 4.9858 PRESSURE: 3773800 -63.0221 36.5931 -143.604 36.5924 -78.5924 101.008 -143.604 101.009 170.079 GPRESSURE: 3773800 -72.6556 11.8435 -147.84 23.0926 -29.4033 96.257 -28.1506 30.8 236.81 PRESSAVG: 3773800 -28.1533 41.2121 14.7234 41.2122 -37.8601 -25.8477 14.7234 -25.8477 69.6456 GPRESSAVG: 3773800 -27.7777 39.7528 14.7232 40.8045 -38.0629 -26.9328 15.1652 -26.5313 69.6851 TIMING: 3773800 CPU: 10965.5, 0.00290493/step Wall: 10965.5, 0.00290493/step, 0.98945 hours remaining, 207.414062 MB of memory in use. ENERGY: 3773800 699.0340 2095.6446 1990.8607 131.8356 -206572.0010 17932.9942 0.0000 0.0000 34016.1043 -149705.5276 297.0711 -183721.6319 -149617.3266 297.5190 9.4882 44.9169 557700.6762 1.2107 1.2815 PRESSURE: 3774000 -158.758 -95.3202 88.8574 -95.3201 32.5454 12.3441 88.8574 12.3433 176.798 GPRESSURE: 3774000 -113.868 -64.0538 70.6999 -102.002 94.2787 48.0262 106.008 -16.7699 174.007 PRESSAVG: 3774000 -30.8314 -21.0852 2.37692 -21.0852 -39.7772 -13.5654 2.37691 -13.5654 40.9264 GPRESSAVG: 3774000 -30.3105 -21.436 2.17184 -22.1289 -39.5759 -13.6461 3.22472 -11.1842 40.7735 TIMING: 3774000 CPU: 10966.1, 0.00289513/step Wall: 10966.1, 0.00289513/step, 0.985951 hours remaining, 207.414062 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: 3774000 747.3901 2090.1826 1954.9175 109.6176 -206505.7611 17971.1492 0.0000 0.0000 34029.1400 -149603.3640 297.1849 -183632.5040 -149509.9834 297.0581 16.8615 51.4724 557823.5889 -9.8940 -9.7043 PRESSURE: 3774200 -30.7818 -49.8229 198.037 -49.8228 61.0926 22.6449 198.037 22.6454 196.929 GPRESSURE: 3774200 11.8245 30.0084 150.237 -79.8321 48.0843 11.9184 263.875 37.8631 250.849 PRESSAVG: 3774200 -4.64563 -24.1379 -3.09346 -24.1379 -12.1275 14.501 -3.09342 14.5009 72.789 GPRESSAVG: 3774200 -5.93102 -23.1266 -5.33522 -21.4365 -12.3985 13.9619 -1.55656 13.5575 74.8676 TIMING: 3774200 CPU: 10966.7, 0.00289003/step Wall: 10966.7, 0.00289003/step, 0.984054 hours remaining, 207.414062 MB of memory in use. ENERGY: 3774200 722.8664 2060.7723 1955.3796 109.0412 -206709.6205 18069.1541 0.0000 0.0000 34143.8552 -149648.5518 298.1868 -183792.4070 -149550.8666 297.6578 75.7467 103.5859 558333.0678 18.6720 18.8460 PRESSURE: 3774400 80.5809 39.4003 -31.2142 39.4005 123.469 -77.0047 -31.2142 -77.0049 -88.1982 GPRESSURE: 3774400 76.1161 63.7139 -119.871 -1.25551 183.559 -73.7878 129.469 -89.3587 -43.9797 PRESSAVG: 3774400 6.33794 21.6787 26.3926 21.6787 9.81878 -19.9696 26.3927 -19.9695 6.04078 GPRESSAVG: 3774400 8.28618 19.0235 30.16 21.2665 10.5913 -18.4504 22.1137 -21.5956 3.50603 TIMING: 3774400 CPU: 10967.2, 0.00289559/step Wall: 10967.2, 0.00289559/step, 0.985787 hours remaining, 207.414062 MB of memory in use. ENERGY: 3774400 736.4613 2075.5070 1955.0112 101.8101 -206506.8427 18045.1283 0.0000 0.0000 34037.0440 -149555.8810 297.2540 -183592.9249 -149462.1056 297.7405 38.6173 71.8984 558666.8869 7.3992 7.4612 PRESSURE: 3774600 256.759 9.27562 -75.1205 9.27588 20.5939 -67.3242 -75.1214 -67.3238 -11.9584 GPRESSURE: 3774600 216.337 15.4822 -112.574 -15.5716 59.1693 -111.91 14.6144 -34.4269 76.6323 PRESSAVG: 3774600 27.0526 13.7405 -16.8165 13.7406 7.09563 -42.7245 -16.8165 -42.7245 -20.9728 GPRESSAVG: 3774600 26.36 14.9524 -18.2461 13.6721 5.85202 -42.7842 -14.9596 -41.3852 -19.0879 TIMING: 3774600 CPU: 10967.8, 0.00291659/step Wall: 10967.8, 0.00291659/step, 0.992776 hours remaining, 207.414062 MB of memory in use. ENERGY: 3774600 766.4373 2098.2838 1950.0549 115.9655 -206768.2708 18064.5782 0.0000 0.0000 34254.1867 -149518.7643 299.1503 -183772.9510 -149423.3069 298.3704 88.4649 117.3795 556489.3770 4.3918 4.3747 PRESSURE: 3774800 -58.8325 -72.9628 -57.0648 -72.9627 -125.014 150.245 -57.0642 150.245 -22.1736 GPRESSURE: 3774800 -47.6588 -159.717 -58.6653 15.9075 -32.06 127.014 -19.7307 129.456 -28.6923 PRESSAVG: 3774800 -4.011 71.9658 -16.8141 71.9658 56.2697 17.0193 -16.8142 17.0192 -28.4683 GPRESSAVG: 3774800 -4.07591 73.1729 -16.6644 73.7011 57.6621 17.0669 -18.1919 16.2798 -29.188 TIMING: 3774800 CPU: 10968.4, 0.00294871/step Wall: 10968.4, 0.00294871/step, 1.00354 hours remaining, 207.414062 MB of memory in use. ENERGY: 3774800 729.1861 2066.9985 1965.4285 111.1835 -206456.6691 17870.2216 0.0000 0.0000 34230.5198 -149483.1312 298.9436 -183713.6510 -149386.1493 298.5486 -68.6734 -36.1370 558120.3876 7.9301 8.1327 PRESSURE: 3775000 -235.361 26.1626 -79.0843 26.1618 -72.6165 170.112 -79.0851 170.112 69.0106 GPRESSURE: 3775000 -170.317 -109.148 -165.407 55.5509 -36.0382 185.126 -16.1581 104.371 59.2524 PRESSAVG: 3775000 -38.4 -21.9725 -1.60443 -21.9726 -23.4026 21.9333 -1.6045 21.9335 17.1683 GPRESSAVG: 3775000 -37.4464 -24.0351 -0.848802 -22.0582 -23.535 20.3681 -1.73948 22.6044 16.0625 TIMING: 3775000 CPU: 10969, 0.0029373/step Wall: 10969, 0.0029373/step, 0.999496 hours remaining, 207.414062 MB of memory in use. ENERGY: 3775000 757.9051 2048.4472 1959.8368 103.5669 -206122.5640 17701.6340 0.0000 0.0000 34109.5732 -149441.6008 297.8874 -183551.1740 -149348.5706 298.3531 -79.6556 -49.0344 557761.5688 -14.8781 -14.9730 PRESSURE: 3775200 -124.353 180.663 -120.564 180.663 -317.879 -48.1107 -120.564 -48.1114 71.5812 GPRESSURE: 3775200 -61.1345 193.325 -73.7292 245.554 -308.406 -58.7378 -115.608 -9.92154 84.4133 PRESSAVG: 3775200 -55.2046 -10.6769 -11.9468 -10.6769 49.9221 -15.8971 -11.9468 -15.897 15.5746 GPRESSAVG: 3775200 -55.0889 -9.94685 -11.043 -13.0447 50.3209 -14.074 -11.651 -16.0897 15.2297 TIMING: 3775200 CPU: 10969.6, 0.00291901/step Wall: 10969.6, 0.00291901/step, 0.993112 hours remaining, 207.414062 MB of memory in use. ENERGY: 3775200 754.5370 2069.0012 1951.4365 117.5878 -206069.9436 17685.2254 0.0000 0.0000 34181.8642 -149310.2915 298.5187 -183492.1558 -149215.4236 299.0017 -123.5504 -95.0425 558481.4590 3.4307 3.4873 PRESSURE: 3775400 166.326 -53.1049 129.108 -53.1038 121.567 57.7738 129.107 57.7731 200.916 GPRESSURE: 3775400 182.695 -73.8859 119.515 26.183 182.212 66.7779 172.471 46.2881 215.07 PRESSAVG: 3775400 -90.6934 -7.41522 42.4317 -7.41514 52.1557 -42.7776 42.4317 -42.7776 24.2873 GPRESSAVG: 3775400 -90.6598 -6.03021 40.8253 -6.38889 52.518 -42.1127 45.006 -42.4999 24.2757 TIMING: 3775400 CPU: 10970.2, 0.00292379/step Wall: 10970.2, 0.00292379/step, 0.994575 hours remaining, 207.414062 MB of memory in use. ENERGY: 3775400 769.0806 2107.4568 1965.9181 119.6544 -206737.9066 18094.0641 0.0000 0.0000 34280.2462 -149401.4864 299.3779 -183681.7326 -149305.7232 299.3023 162.9363 193.3258 556785.0632 -4.7501 -4.6220 PRESSURE: 3775600 -18.8692 155.007 -147.897 155.007 149.905 29.983 -147.897 29.9812 -112.668 GPRESSURE: 3775600 -29.6013 92.0379 -141.629 95.8406 198.101 81.6113 -104.921 -42.5571 -58.4518 PRESSAVG: 3775600 16.4539 50.9887 38.5134 50.9887 -10.6565 0.055426 38.5134 0.0555271 -0.725673 GPRESSAVG: 3775600 16.1896 48.833 37.2854 51.2598 -9.97883 -0.795251 38.191 -1.23826 -0.744836 TIMING: 3775600 CPU: 10970.8, 0.00293109/step Wall: 10970.8, 0.00293109/step, 0.996897 hours remaining, 207.414062 MB of memory in use. ENERGY: 3775600 727.6398 2114.2497 1976.5175 113.0692 -206433.5446 17829.9825 0.0000 0.0000 34195.7777 -149476.3082 298.6402 -183672.0859 -149379.5748 298.9286 6.1226 36.6827 556785.6954 1.6906 1.8220 PRESSURE: 3775800 111.325 13.067 25.2031 13.0674 -153.997 -84.6066 25.2035 -84.6075 202.832 GPRESSURE: 3775800 115.45 5.43348 39.396 -29.3442 -81.4831 -126.071 -28.3875 -3.65336 224.691 PRESSAVG: 3775800 -35.0126 15.8802 -12.8722 15.8802 -5.14327 -36.8276 -12.8722 -36.8276 9.46789 GPRESSAVG: 3775800 -34.3531 18.4325 -9.78046 14.087 -6.59567 -38.7006 -13.0383 -33.1085 10.0686 TIMING: 3775800 CPU: 10971.3, 0.00295169/step Wall: 10971.3, 0.00295169/step, 1.00374 hours remaining, 207.414062 MB of memory in use. ENERGY: 3775800 765.6777 2126.2421 1959.9691 112.8246 -206447.0213 17989.8079 0.0000 0.0000 34050.0743 -149442.4255 297.3678 -183492.4998 -149349.4389 298.8857 53.3867 86.2195 556877.2222 -10.2293 -10.2934 PRESSURE: 3776000 -116.772 -92.2899 -166.296 -92.2888 -89.8919 -174.723 -166.298 -174.724 -144.035 GPRESSURE: 3776000 -144.851 -96.1374 -110.546 22.7897 -65.2675 -197.462 -157.123 -154.693 -58.4792 PRESSAVG: 3776000 -33.1136 -6.22318 21.9141 -6.22319 -19.181 -9.44064 21.914 -9.44065 48.2369 GPRESSAVG: 3776000 -33.8106 -8.39743 24.0294 -4.20781 -19.4232 -8.48376 21.4532 -11.1385 48.4393 TIMING: 3776000 CPU: 10971.9, 0.00289642/step Wall: 10971.9, 0.00289642/step, 0.984782 hours remaining, 207.414062 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: 3776000 767.9871 2083.5526 1958.0306 116.1891 -206139.2908 17564.2856 0.0000 0.0000 34195.7553 -149453.4906 298.6400 -183649.2459 -149361.3606 298.6611 -116.8997 -89.5325 556299.2124 -1.3526 -1.5981 PRESSURE: 3776200 -119.743 -3.03908 95.0024 -3.03845 164.645 -4.10798 95.0022 -4.10794 12.8242 GPRESSURE: 3776200 -66.9322 51.0526 50.948 10.1325 192.8 15.607 175.11 7.59691 26.4685 PRESSAVG: 3776200 55.8271 66.6065 -44.1865 66.6065 26.1132 -4.1354 -44.1864 -4.13538 -80.2278 GPRESSAVG: 3776200 55.3176 68.217 -47.2361 67.1403 26.1435 -2.25657 -42.9162 -3.77481 -80.1583 TIMING: 3776200 CPU: 10972.5, 0.00290005/step Wall: 10972.5, 0.00290005/step, 0.985857 hours remaining, 207.414062 MB of memory in use. ENERGY: 3776200 795.0055 2050.9610 1962.4366 103.6267 -206635.9125 18027.4280 0.0000 0.0000 34342.9426 -149353.5121 299.9255 -183696.4547 -149254.8746 298.2727 19.2421 50.7788 555792.7362 0.5708 0.4343 LDB: ============= START OF LOAD BALANCING ============== 10976 LDB: ============== END OF LOAD BALANCING =============== 10976 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10976 LDB: ============= START OF LOAD BALANCING ============== 10976.3 LDB: Largest compute 4848 load 0.029282 is 24.8% of average load 0.117839 LDB: Average compute 0.001720 is 1.5% of average load 0.117839 LDB: TIME 10976.3 LOAD: AVG 0.117839 MAX 0.186475 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 10976.3 LOAD: AVG 0.117839 MAX 0.186475 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: TIME 10976.3 LOAD: AVG 0.117839 MAX 0.186475 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.305 MB LDB: ============== END OF LOAD BALANCING =============== 10976.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10976.3 PRESSURE: 3776400 219.026 41.1437 -84.3385 41.1439 -172.298 10.5236 -84.339 10.524 -222.531 GPRESSURE: 3776400 207.287 75.7458 -39.2487 33.3358 -144.328 10.4211 -111.744 -52.6975 -142.125 PRESSAVG: 3776400 79.9113 29.6867 -29.0061 29.6867 30.1923 50.1398 -29.0061 50.1398 -78.4373 GPRESSAVG: 3776400 79.6509 28.0296 -29.2369 29.2734 30.5051 49.1203 -29.8518 50.0907 -78.9199 TIMING: 3776400 CPU: 10973.1, 0.00294421/step Wall: 10973.1, 0.00294421/step, 1.0007 hours remaining, 209.281250 MB of memory in use. ENERGY: 3776400 785.0431 2113.3319 1946.7509 117.6380 -205939.0148 17701.9940 0.0000 0.0000 34047.9050 -149226.3518 297.3488 -183274.2568 -149131.6595 299.2140 -58.6010 -26.3890 557025.7018 10.5554 10.4120 PRESSURE: 3776600 -216.862 -129.841 -209.196 -129.841 25.7409 35.2555 -209.195 35.2543 -183.952 GPRESSURE: 3776600 -157.823 -104.203 -157.563 -134.528 43.1178 7.38943 -175.592 -1.71053 -161.03 PRESSAVG: 3776600 18.4771 22.9311 -32.9134 22.9311 80.9744 -34.3284 -32.9134 -34.3285 -107.31 GPRESSAVG: 3776600 19.6608 24.0126 -31.0708 22.4716 80.4924 -34.5559 -34.3916 -34.8454 -108.003 TIMING: 3776600 CPU: 10973.7, 0.00292271/step Wall: 10973.7, 0.00292271/step, 0.993235 hours remaining, 209.609375 MB of memory in use. ENERGY: 3776600 752.2012 2096.7759 1980.6559 118.9800 -206097.9190 17764.6317 0.0000 0.0000 34303.3736 -149081.3008 299.5799 -183384.6744 -148990.2059 299.5252 -125.0245 -91.9118 557839.3613 -2.6196 -2.6165 PRESSURE: 3776800 -99.0527 15.0009 -164.56 15.001 217.111 -54.0585 -164.559 -54.0577 93.4035 GPRESSURE: 3776800 -81.734 79.7364 -158.289 3.53855 219.113 9.48886 -178.15 -104.685 170.044 PRESSAVG: 3776800 6.24961 26.9397 61.8261 26.9396 -0.0782937 37.6499 61.8261 37.65 -3.47224 GPRESSAVG: 3776800 6.85644 28.4435 60.4217 25.5939 -0.422597 36.2573 60.1984 37.5283 -4.17034 TIMING: 3776800 CPU: 10974.3, 0.00290901/step Wall: 10974.3, 0.00290901/step, 0.988416 hours remaining, 209.609375 MB of memory in use. ENERGY: 3776800 730.9501 2055.5823 1962.2050 104.4618 -205763.1688 17607.7973 0.0000 0.0000 34143.3933 -149158.7789 298.1827 -183302.1722 -149065.0795 298.9447 70.4874 102.4744 557579.8719 0.8997 0.7545 PRESSURE: 3777000 -56.3102 162.545 -64.1048 162.544 189.125 -136.841 -64.1065 -136.842 -331.191 GPRESSURE: 3777000 -27.426 38.6472 -72.1758 246.016 203.108 -123.297 -69.1721 -75.2237 -289.748 PRESSAVG: 3777000 29.9165 10.5773 -24.2631 10.5773 -44.9324 37.7026 -24.263 37.7024 -4.49816 GPRESSAVG: 3777000 28.6231 7.7757 -24.9805 12.7601 -44.079 38.7095 -21.5107 37.5701 -3.81701 TIMING: 3777000 CPU: 10974.8, 0.00285944/step Wall: 10974.8, 0.00285944/step, 0.971414 hours remaining, 209.875000 MB of memory in use. ENERGY: 3777000 776.5414 2095.1750 1936.5576 111.4111 -205965.9400 17703.3908 0.0000 0.0000 34255.2770 -149087.5870 299.1599 -183342.8640 -148994.3757 299.1406 -66.1253 -38.0223 558275.0799 -6.5047 -6.4243 PRESSURE: 3777200 -142.524 -5.06909 174.569 -5.06965 -52.3087 130.986 174.569 130.988 135.472 GPRESSURE: 3777200 -78.2158 82.6298 141.032 -7.52195 -16.0911 84.4861 141.233 171.083 144.533 PRESSAVG: 3777200 -3.36642 1.07799 -19.1367 1.07803 49.5869 11.3286 -19.1367 11.3287 15.242 GPRESSAVG: 3777200 -4.15995 2.82565 -20.134 -1.53663 49.5595 11.8955 -18.9723 11.5439 16.2563 TIMING: 3777200 CPU: 10975.4, 0.00288151/step Wall: 10975.4, 0.00288151/step, 0.978752 hours remaining, 209.875000 MB of memory in use. ENERGY: 3777200 727.2385 2092.1763 1952.7854 113.9499 -206399.4352 17829.6024 0.0000 0.0000 34464.6802 -149219.0025 300.9886 -183683.6826 -149119.6265 299.7564 -19.7870 16.7419 557302.3868 20.4875 20.5519 PRESSURE: 3777400 66.806 189.159 223.981 189.158 -94.0372 -148.638 223.982 -148.638 -6.37473 GPRESSURE: 3777400 51.0777 212.594 94.4451 56.781 -16.762 -147.051 207.145 -145.41 21.2488 PRESSAVG: 3777400 -61.3403 -30.3296 -31.6606 -30.3296 -16.5114 -2.34686 -31.6606 -2.34698 65.2071 GPRESSAVG: 3777400 -61.4141 -28.1622 -30.2306 -28.9283 -16.3127 -3.58583 -32.7612 -3.71956 64.7487 TIMING: 3777400 CPU: 10976, 0.00291618/step Wall: 10976, 0.00291617/step, 0.990365 hours remaining, 209.875000 MB of memory in use. ENERGY: 3777400 714.0457 2084.0072 1927.5307 122.3608 -206112.5386 17655.8623 0.0000 0.0000 34220.5761 -149388.1558 298.8568 -183608.7319 -149290.8583 299.2562 -11.2020 18.5215 557340.2896 -4.2148 -4.3260 PRESSURE: 3777600 43.2673 103.531 -107.232 103.531 -95.4226 -19.1291 -107.231 -19.1287 -312.612 GPRESSURE: 3777600 69.5075 14.1128 -57.2549 190.684 -101.295 -46.5556 -137.135 45.4773 -244.051 PRESSAVG: 3777600 21.6059 2.42153 16.9081 2.42148 -37.5913 -30.6773 16.9081 -30.6771 29.9463 GPRESSAVG: 3777600 21.9449 -0.325862 17.123 2.92727 -38.376 -30.3336 18.3459 -29.9181 30.3869 TIMING: 3777600 CPU: 10976.6, 0.00292588/step Wall: 10976.6, 0.00292588/step, 0.993499 hours remaining, 209.875000 MB of memory in use. ENERGY: 3777600 725.2639 2149.6471 1926.6796 114.2021 -206335.9402 17736.0655 0.0000 0.0000 34210.4564 -149473.6257 298.7684 -183684.0821 -149372.6486 299.1498 -121.5891 -91.9461 557873.0403 4.6536 4.6520 PRESSURE: 3777800 -91.9422 -126.018 29.3245 -126.018 -289.156 302.78 29.325 302.781 -1.25588 GPRESSURE: 3777800 -78.7611 -133.938 24.5371 -62.7211 -216.577 244.989 86.6064 315.574 7.9646 PRESSAVG: 3777800 24.8716 -1.22064 -15.2552 -1.22072 -84.6923 19.6923 -15.2551 19.6922 78.8428 GPRESSAVG: 3777800 24.8615 -1.38734 -15.9762 -1.31625 -82.8331 21.3315 -16.0993 21.1183 77.1634 TIMING: 3777800 CPU: 10977.2, 0.00294666/step Wall: 10977.2, 0.00294666/step, 1.00039 hours remaining, 209.875000 MB of memory in use. ENERGY: 3777800 720.4077 2054.7342 1954.8973 120.4977 -205799.2151 17586.4368 0.0000 0.0000 34014.3842 -149347.8573 297.0561 -183362.2414 -149250.8913 298.6803 -127.4513 -95.7911 558568.4508 6.3407 6.3972 PRESSURE: 3778000 -151.878 -32.4119 200.551 -32.4117 225.04 110.885 200.551 110.885 -37.9934 GPRESSURE: 3778000 -82.8189 -5.54746 131.958 -97.8294 224.061 30.1036 303.532 116.947 -21.9821 PRESSAVG: 3778000 14.4323 -23.5812 -21.9996 -23.5811 -63.0259 85.7919 -21.9996 85.7919 23.845 GPRESSAVG: 3778000 15.3387 -22.5179 -22.227 -25.4027 -64.897 84.6301 -22.5893 83.3509 24.7177 TIMING: 3778000 CPU: 10977.8, 0.00292866/step Wall: 10977.8, 0.00292866/step, 0.994116 hours remaining, 209.875000 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: 3778000 753.6744 2037.6072 1977.1485 102.7319 -206507.4028 17956.2563 0.0000 0.0000 34294.1318 -149385.8528 299.4992 -183679.9846 -149293.1103 298.2247 11.7228 39.7534 557417.0499 -8.2496 -8.2802 PRESSURE: 3778200 -120.021 46.3796 -13.4399 46.379 -152.663 108.887 -13.4403 108.887 215.281 GPRESSURE: 3778200 -28.6502 60.887 -11.8793 112.948 -110.515 78.1633 18.5619 180.651 189.86 PRESSAVG: 3778200 0.623263 -38.5473 -34.1778 -38.5474 16.3617 86.5132 -34.1779 86.5131 57.8108 GPRESSAVG: 3778200 -1.96332 -39.0517 -32.7526 -35.6255 17.8753 86.9438 -35.2073 86.5804 58.8204 TIMING: 3778200 CPU: 10978.3, 0.00293082/step Wall: 10978.3, 0.00293082/step, 0.994687 hours remaining, 209.921875 MB of memory in use. ENERGY: 3778200 723.0247 2074.6820 1950.2608 116.5881 -206189.2636 17695.5117 0.0000 0.0000 34243.7988 -149385.3974 299.0596 -183629.1962 -149291.6045 298.5930 -19.1344 16.8983 557794.5791 24.9319 24.9108 PRESSURE: 3778400 27.5549 24.227 -9.8167 24.2283 83.1998 109.725 -9.81696 109.726 -189.024 GPRESSURE: 3778400 5.39704 -2.10527 -0.141968 69.4212 152.314 152.547 3.00838 149.793 -137.937 PRESSAVG: 3778400 39.4522 -10.8926 -0.935227 -10.8926 -50.6434 71.228 -0.93516 71.228 -14.8017 GPRESSAVG: 3778400 40.8439 -10.6897 -0.696485 -12.5684 -51.4095 72.0834 -0.506589 69.6524 -15.1368 TIMING: 3778400 CPU: 10978.9, 0.00293303/step Wall: 10978.9, 0.00293303/step, 0.995276 hours remaining, 209.921875 MB of memory in use. ENERGY: 3778400 739.4613 2075.6273 1953.7799 108.7011 -206145.9707 17817.8999 0.0000 0.0000 34147.0977 -149303.4035 298.2151 -183450.5012 -149205.1104 298.5555 -26.0900 6.5914 558398.8790 -8.6643 -8.5675 PRESSURE: 3778600 -71.0316 208.187 173.668 208.187 -14.4188 233.786 173.669 233.786 126.498 GPRESSURE: 3778600 -12.0849 263.12 121.922 173.257 79.0014 263.429 170.202 145.246 79.695 PRESSAVG: 3778600 10.7974 -12.4785 24.6915 -12.4786 14.2291 34.1404 24.6915 34.1404 -9.76172 GPRESSAVG: 3778600 11.1913 -11.3564 25.1157 -11.7916 13.5427 32.7926 24.9565 35.5418 -9.68556 TIMING: 3778600 CPU: 10979.5, 0.00290609/step Wall: 10979.5, 0.00290609/step, 0.985971 hours remaining, 209.921875 MB of memory in use. ENERGY: 3778600 729.6566 2075.8806 1929.8877 115.2423 -206515.2019 17925.6027 0.0000 0.0000 34165.6169 -149573.3150 298.3768 -183738.9320 -149479.3474 299.3229 13.6826 48.8705 557882.0051 5.0882 5.0162 PRESSURE: 3778800 89.8231 55.5093 -112.9 55.5105 -44.349 76.632 -112.899 76.6324 -29.022 GPRESSURE: 3778800 97.7305 73.1002 -94.2138 -10.6598 -9.40332 99.774 -154.682 14.2906 18.6447 PRESSAVG: 3778800 -13.158 14.0292 19.8458 14.0291 -6.74404 11.6371 19.8459 11.6372 9.10647 GPRESSAVG: 3778800 -12.9748 12.7651 18.6559 12.5042 -7.14941 11.0651 20.5244 11.4006 9.28909 TIMING: 3778800 CPU: 10980.1, 0.00289823/step Wall: 10980.1, 0.00289823/step, 0.983145 hours remaining, 209.921875 MB of memory in use. ENERGY: 3778800 720.4180 2009.4591 1936.4021 103.8761 -206635.1130 18036.0748 0.0000 0.0000 34131.9925 -149696.8905 298.0832 -183828.8830 -149602.0978 298.0384 5.4840 35.6573 559268.1774 -3.5985 -3.6117 PRESSURE: 3779000 -151.052 139.435 -112.338 139.436 -87.5592 15.6394 -112.34 15.6387 -110.12 GPRESSURE: 3779000 -123.084 86.2445 -123.635 87.3082 3.18363 -13.6945 -70.3026 20.3953 -122.412 PRESSAVG: 3779000 43.7832 47.4974 -28.5076 47.4975 88.634 9.30131 -28.5076 9.30138 -58.5999 GPRESSAVG: 3779000 43.238 47.4215 -28.1757 49.585 90.2642 10.0292 -29.8023 7.99796 -58.459 TIMING: 3779000 CPU: 10980.7, 0.00291029/step Wall: 10980.7, 0.00291029/step, 0.987074 hours remaining, 209.921875 MB of memory in use. ENERGY: 3779000 733.2624 2041.8318 1953.9200 96.5305 -206248.8198 17672.4975 0.0000 0.0000 34118.3718 -149632.4058 297.9642 -183750.7775 -149528.4528 297.5735 -116.2435 -80.7705 557624.1842 24.6058 25.0144 PRESSURE: 3779200 5.20926 183.413 -328.538 183.413 -313.632 57.175 -328.538 57.1755 -10.847 GPRESSURE: 3779200 6.36735 162.866 -300.076 176.774 -274.766 78.5629 -317.495 148.361 46.6129 PRESSAVG: 3779200 55.8911 40.242 -36.745 40.242 -23.1227 25.5667 -36.7449 25.5666 -45.3863 GPRESSAVG: 3779200 56.4932 41.1393 -37.1018 40.3166 -23.4056 25.803 -34.7333 28.0851 -45.7347 TIMING: 3779200 CPU: 10981.3, 0.00292047/step Wall: 10981.3, 0.00292047/step, 0.990363 hours remaining, 209.921875 MB of memory in use. ENERGY: 3779200 739.0377 2052.5054 1953.0825 112.9593 -205984.9627 17514.2390 0.0000 0.0000 34183.3686 -149429.7703 298.5319 -183613.1389 -149331.0554 298.2004 -106.4234 -73.9286 556995.5333 -4.2060 -4.2157 PRESSURE: 3779400 -49.8393 284.76 -44.8974 284.76 -39.9459 224.882 -44.8962 224.884 -125.409 GPRESSURE: 3779400 -62.3982 304.498 6.34408 281.602 -6.37042 156.872 -42.191 187.558 -53.771 PRESSAVG: 3779400 44.362 -13.2828 -10.8011 -13.2828 -45.5068 49.4943 -10.801 49.4944 7.93748 GPRESSAVG: 3779400 44.6908 -12.7412 -11.915 -15.8467 -45.0649 49.1792 -10.4257 46.5821 6.91009 TIMING: 3779400 CPU: 10981.8, 0.00294583/step Wall: 10981.8, 0.00294583/step, 0.9988 hours remaining, 209.921875 MB of memory in use. ENERGY: 3779400 686.2563 2100.0202 1965.8851 113.9333 -206194.8432 17702.0173 0.0000 0.0000 34054.8784 -149571.8527 297.4097 -183626.7311 -149473.1286 297.8375 -71.7313 -40.8465 558633.2900 2.2642 2.1787 PRESSURE: 3779600 193.946 17.4122 184.111 17.4123 22.4498 -22.8165 184.11 -22.8162 -13.8774 GPRESSURE: 3779600 216.221 -60.1546 80.8619 54.6349 66.1219 4.42222 226.393 -13.8508 16.306 PRESSAVG: 3779600 80.4629 19.6961 4.07409 19.6961 -42.7086 68.0848 4.07414 68.0848 -16.6293 GPRESSAVG: 3779600 79.6609 17.9416 5.96337 22.2737 -43.0159 67.5969 3.37671 70.4483 -15.8287 TIMING: 3779600 CPU: 10982.4, 0.00294464/step Wall: 10982.4, 0.00294464/step, 0.998232 hours remaining, 209.921875 MB of memory in use. ENERGY: 3779600 735.6033 2103.2216 1981.3198 108.8954 -206535.0227 17963.2009 0.0000 0.0000 34078.3757 -149564.4060 297.6149 -183642.7817 -149463.8062 298.5411 67.5062 99.5497 557394.9846 7.0417 6.9388 PRESSURE: 3779800 -38.9047 -103.625 115.331 -103.625 198.933 86.6155 115.33 86.6138 -95.3003 GPRESSURE: 3779800 -26.5302 -96.4081 138.073 -116.899 235.668 71.398 119.16 127.292 -38.0536 PRESSAVG: 3779800 -42.8828 13.6165 -23.4347 13.6164 42.838 54.5709 -23.4348 54.571 -45.1222 GPRESSAVG: 3779800 -42.8373 15.4961 -25.4531 12.2403 42.7794 56.4954 -24.2527 54.3553 -45.0294 TIMING: 3779800 CPU: 10983, 0.0029081/step Wall: 10983, 0.0029081/step, 0.985685 hours remaining, 209.921875 MB of memory in use. ENERGY: 3779800 714.9042 2083.4954 1944.7318 128.8730 -206489.5954 17788.2997 0.0000 0.0000 34187.9923 -149641.2990 298.5722 -183829.2913 -149545.5210 297.9684 21.5759 57.0279 555998.5401 -15.0557 -15.0291 PRESSURE: 3780000 -381.967 95.6189 -134.763 95.619 -320.319 49.5855 -134.763 49.5865 -109.768 GPRESSURE: 3780000 -374.698 102.348 -160.505 125.456 -253.077 -42.0516 -185.952 133.24 -93.175 PRESSAVG: 3780000 -2.72229 -12.4434 -40.505 -12.4435 10.0485 38.5774 -40.505 38.5775 44.8521 GPRESSAVG: 3780000 -2.04198 -15.2088 -38.9818 -10.5262 9.86451 35.8871 -39.3225 38.576 44.1165 TIMING: 3780000 CPU: 10983.6, 0.00290577/step Wall: 10983.6, 0.00290577/step, 0.984732 hours remaining, 209.921875 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: 3780000 743.5359 2073.6067 1955.0916 116.5240 -206132.2805 17448.9838 0.0000 0.0000 34135.8542 -149658.6843 298.1169 -183794.5385 -149561.4638 297.9448 -270.6844 -240.3167 556615.1543 17.3928 17.3130 PRESSURE: 3780200 137.748 119.873 -90.0892 119.872 -218.506 48.4885 -90.0893 48.4886 -42.3628 GPRESSURE: 3780200 168.616 49.4241 -172.078 136.301 -203.644 -11.857 -11.9171 151.403 7.77921 PRESSAVG: 3780200 20.5835 -22.0006 11.1283 -22.0006 -42.6031 10.3394 11.1283 10.3395 -4.01669 GPRESSAVG: 3780200 19.1949 -17.7737 11.124 -23.8105 -41.9212 9.78901 8.5791 11.74 -3.52583 TIMING: 3780200 CPU: 10984.2, 0.00293722/step Wall: 10984.2, 0.00293722/step, 0.995229 hours remaining, 209.921875 MB of memory in use. ENERGY: 3780200 749.6935 2044.7897 1953.1978 110.5701 -206616.6704 17868.9229 0.0000 0.0000 34223.5612 -149665.9351 298.8829 -183889.4963 -149568.6616 297.8000 -41.0401 -9.0830 556544.8851 -8.6788 -8.7507 LDB: ============= START OF LOAD BALANCING ============== 10987.6 LDB: ============== END OF LOAD BALANCING =============== 10987.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10987.7 LDB: ============= START OF LOAD BALANCING ============== 10987.9 LDB: Largest compute 4848 load 0.028866 is 24.5% of average load 0.117801 LDB: Average compute 0.001728 is 1.5% of average load 0.117801 LDB: TIME 10987.9 LOAD: AVG 0.117801 MAX 0.182428 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.715 MB LDB: TIME 10987.9 LOAD: AVG 0.117801 MAX 0.182428 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: TIME 10987.9 LOAD: AVG 0.117801 MAX 0.182428 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10987.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10988 PRESSURE: 3780400 -265.165 -211.602 36.7127 -211.602 -195.248 54.7508 36.7133 54.7502 -91.0586 GPRESSURE: 3780400 -167.405 -141.56 138.295 -124.247 -179.371 106.257 37.2352 61.0909 -105.265 PRESSAVG: 3780400 101.289 22.6757 -31.1431 22.6757 3.13791 29.8102 -31.1432 29.8101 -79.4089 GPRESSAVG: 3780400 102.203 21.7504 -31.9709 21.9033 2.18215 31.8088 -28.3942 26.3624 -79.7481 TIMING: 3780400 CPU: 10984.8, 0.00298575/step Wall: 10984.8, 0.00298575/step, 1.01151 hours remaining, 205.960938 MB of memory in use. ENERGY: 3780400 755.2820 2109.8027 1969.2067 108.4871 -206229.1639 17673.4072 0.0000 0.0000 33928.6112 -149684.3671 296.3070 -183612.9783 -149588.7608 297.4502 -183.8240 -150.6803 556329.4735 8.3392 8.2123 PRESSURE: 3780600 54.5987 49.9579 -18.5183 49.9577 46.9333 6.0979 -18.5178 6.09927 -74.7901 GPRESSURE: 3780600 33.451 12.8806 -33.122 49.3231 130.579 -12.5546 36.3391 46.1638 -28.8894 PRESSAVG: 3780600 -29.0082 -2.18373 -1.05089 -2.18359 -8.28206 31.8221 -1.05077 31.8221 67.0106 GPRESSAVG: 3780600 -28.3907 -2.84711 -1.25654 -1.2755 -8.61146 31.6228 -1.93352 34.377 66.435 TIMING: 3780600 CPU: 10985.4, 0.00291685/step Wall: 10985.4, 0.00291685/step, 0.988001 hours remaining, 206.203125 MB of memory in use. ENERGY: 3780600 734.7727 2110.1023 1984.1339 112.4782 -206348.5716 17818.7209 0.0000 0.0000 34089.1708 -149499.1928 297.7092 -183588.3637 -149403.6604 297.8909 8.9140 45.0470 556499.1987 9.9068 9.8109 PRESSURE: 3780800 -76.6482 -4.40211 -34.7232 -4.4022 -40.2638 68.5023 -34.7226 68.5034 -302.83 GPRESSURE: 3780800 -67.8415 1.0772 -16.6541 -63.3541 -39.4304 88.7538 -68.9325 23.142 -229.506 PRESSAVG: 3780800 -15.3481 -2.93501 -12.8334 -2.93501 -11.4274 64.2186 -12.8333 64.2186 38.3452 GPRESSAVG: 3780800 -16.4467 -4.45667 -12.5322 -2.9014 -11.5732 65.4796 -13.2482 62.7743 40.0847 TIMING: 3780800 CPU: 10985.9, 0.00291611/step Wall: 10985.9, 0.00291611/step, 0.987588 hours remaining, 206.328125 MB of memory in use. ENERGY: 3780800 754.2351 2030.4596 1941.9393 109.8271 -206228.2832 17602.2448 0.0000 0.0000 34182.3884 -149607.1890 298.5233 -183789.5773 -149507.7374 298.5817 -139.9141 -112.2594 555714.4133 3.8566 4.0216 PRESSURE: 3781000 -182.236 -154.339 -54.8588 -154.339 -94.5555 -222.704 -54.8588 -222.704 -318.003 GPRESSURE: 3781000 -176.569 -214.486 -93.4659 -119.329 -24.6145 -198.933 -88.0795 -187.244 -306.975 PRESSAVG: 3781000 -35.2711 23.4792 -17.988 23.4792 6.03962 4.21026 -17.988 4.2103 28.0072 GPRESSAVG: 3781000 -34.1588 24.5922 -19.9411 22.835 7.19719 4.01806 -15.1809 7.54527 26.0376 TIMING: 3781000 CPU: 10986.5, 0.00293499/step Wall: 10986.5, 0.00293499/step, 0.99382 hours remaining, 206.539062 MB of memory in use. ENERGY: 3781000 743.0026 2078.7461 1984.3000 108.9734 -206084.3791 17520.7957 0.0000 0.0000 33937.8441 -149710.7173 296.3876 -183648.5614 -149615.0014 298.2846 -198.2649 -169.3861 557765.3358 -0.4081 -0.3080 PRESSURE: 3781200 -12.0162 -79.3021 63.1928 -79.302 -71.8717 -20.7059 63.193 -20.7045 -61.4202 GPRESSURE: 3781200 16.9226 -82.8014 -42.9622 -156.406 -89.61 -56.4462 124.277 -95.1619 31.4547 PRESSAVG: 3781200 -12.9224 36.007 9.56709 36.0071 -60.6947 -30.6256 9.5671 -30.6257 59.8307 GPRESSAVG: 3781200 -14.5816 37.1775 10.0358 35.0348 -60.6346 -32.0623 6.93277 -32.887 61.451 TIMING: 3781200 CPU: 10987.1, 0.0029315/step Wall: 10987.1, 0.0029315/step, 0.992475 hours remaining, 206.539062 MB of memory in use. ENERGY: 3781200 741.0026 2133.7373 1976.5815 116.3614 -206695.1394 17854.2216 0.0000 0.0000 34211.1635 -149662.0715 298.7746 -183873.2350 -149569.6905 298.1262 -48.4360 -13.7442 557416.2206 -4.5955 -4.5884 PRESSURE: 3781400 -221.621 -77.2053 33.7918 -77.2056 -198.042 -56.6078 33.791 -56.6075 -42.3851 GPRESSURE: 3781400 -199.978 -76.8954 20.7496 -120.151 -153.564 -65.2675 -2.46531 -32.8665 -14.2881 PRESSAVG: 3781400 -55.8318 -34.6656 -30.1325 -34.6657 14.1118 -34.7009 -30.1324 -34.7009 12.8425 GPRESSAVG: 3781400 -55.2549 -35.3591 -26.8376 -35.0754 13.7537 -35.4204 -31.1883 -34.5985 12.8722 TIMING: 3781400 CPU: 10987.7, 0.00292711/step Wall: 10987.7, 0.00292711/step, 0.990826 hours remaining, 206.539062 MB of memory in use. ENERGY: 3781400 712.3208 2156.1091 1970.5625 123.8076 -206184.1912 17583.6023 0.0000 0.0000 33848.4508 -149789.3380 295.6069 -183637.7888 -149697.9032 297.0809 -154.0159 -122.6098 557593.1722 -9.6258 -9.5430 PRESSURE: 3781600 -160.891 -48.672 -7.46538 -48.6729 72.502 -28.9734 -7.46524 -28.9735 -216.198 GPRESSURE: 3781600 -68.981 0.0901281 11.669 -53.9262 48.8585 -28.2992 -30.8417 -18.9561 -177.225 PRESSAVG: 3781600 -23.8326 -8.16949 -25.2907 -8.16959 10.9099 -93.8785 -25.2908 -93.8784 30.6328 GPRESSAVG: 3781600 -23.5558 -9.54007 -26.8692 -5.91849 11.8875 -93.4343 -25.3876 -93.2935 29.5749 TIMING: 3781600 CPU: 10988.3, 0.00292979/step Wall: 10988.3, 0.00292979/step, 0.991571 hours remaining, 206.539062 MB of memory in use. ENERGY: 3781600 738.6706 2129.7035 1956.8988 137.1062 -206645.2006 17912.2895 0.0000 0.0000 34184.8360 -149585.6959 298.5447 -183770.5319 -149490.8799 297.5814 -101.5292 -65.7826 557787.1337 5.9034 5.9689 PRESSURE: 3781800 153.779 72.4361 229.186 72.4351 -317.015 -48.3813 229.186 -48.3815 -86.6304 GPRESSURE: 3781800 165.123 67.4543 179.473 51.324 -269.89 -115.762 333.663 -34.2956 -52.3707 PRESSAVG: 3781800 25.6786 -12.6287 -14.5076 -12.6286 13.3234 -58.8867 -14.5077 -58.8869 -37.0015 GPRESSAVG: 3781800 26.6317 -12.4711 -13.9301 -13.0916 12.4338 -58.8965 -12.1988 -58.9998 -36.5773 TIMING: 3781800 CPU: 10988.9, 0.00292129/step Wall: 10988.9, 0.00292129/step, 0.988533 hours remaining, 206.539062 MB of memory in use. ENERGY: 3781800 700.2309 2138.0706 1965.8640 117.4199 -206728.6882 17919.5807 0.0000 0.0000 34174.0089 -149713.5131 298.4501 -183887.5220 -149622.6570 297.8990 -83.2888 -52.3793 558564.4303 0.6668 0.8294 PRESSURE: 3782000 -154.778 -163.958 -15.032 -163.956 -105.79 23.8154 -15.0338 23.8137 -1.63794 GPRESSURE: 3782000 -105.098 -66.4707 -74.9766 -170.11 -36.7093 32.4636 1.10187 105.972 -23.3417 PRESSAVG: 3782000 64.6308 32.2975 11.8651 32.2974 -23.0799 43.5222 11.865 43.5222 -83.9212 GPRESSAVG: 3782000 64.9403 32.1156 10.3546 30.6088 -22.1319 44.7991 8.94192 44.432 -84.5705 TIMING: 3782000 CPU: 10989.5, 0.00293494/step Wall: 10989.5, 0.00293494/step, 0.99299 hours remaining, 206.539062 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: 3782000 737.1739 2096.3879 1969.9859 106.8587 -206379.7386 17790.1277 0.0000 0.0000 33905.6761 -149773.5285 296.1067 -183679.2046 -149681.2369 296.8544 -87.4018 -55.0498 556955.5852 -14.1234 -13.9207 PRESSURE: 3782200 -106.358 -198.908 -75.2216 -198.907 -174.083 -96.9727 -75.2211 -96.9725 -196.129 GPRESSURE: 3782200 -19.9114 -142.247 -43.5298 -150.006 -222.006 -43.5047 -93.3411 -68.6786 -146.153 PRESSAVG: 3782200 51.6838 -80.4842 -51.1076 -80.4841 22.2106 -75.5863 -51.1077 -75.5863 -69.7274 GPRESSAVG: 3782200 51.5227 -79.4061 -51.4837 -78.2564 20.8197 -75.0671 -47.6893 -77.0303 -68.2007 TIMING: 3782200 CPU: 10990, 0.00293776/step Wall: 10990, 0.00293776/step, 0.993778 hours remaining, 206.539062 MB of memory in use. ENERGY: 3782200 777.0905 2124.3686 1968.8793 122.5978 -206410.9989 17653.3205 0.0000 0.0000 33915.6446 -149849.0975 296.1938 -183764.7421 -149748.8234 297.9810 -158.8566 -129.3570 556220.8901 1.3890 1.3805 PRESSURE: 3782400 203.604 32.112 -16.6535 32.1129 101.038 31.6285 -16.6532 31.6284 187.159 GPRESSURE: 3782400 247.023 17.9207 -44.1733 82.8504 109.209 -70.4346 -66.48 -32.076 234.279 PRESSAVG: 3782400 15.8021 -21.1009 -22.3408 -21.1009 53.5958 4.47161 -22.3407 4.47171 -42.7901 GPRESSAVG: 3782400 17.2374 -21.3508 -20.7072 -20.7499 52.7381 3.19137 -24.7518 5.78761 -43.5293 TIMING: 3782400 CPU: 10990.6, 0.0029187/step Wall: 10990.6, 0.0029187/step, 0.987168 hours remaining, 206.539062 MB of memory in use. ENERGY: 3782400 727.6404 2044.2683 1969.0929 115.9444 -207029.1272 18080.9665 0.0000 0.0000 33940.1578 -150151.0570 296.4078 -184091.2147 -150052.6369 297.5190 163.9336 196.8371 553869.6115 8.8693 8.8154 PRESSURE: 3782600 175.452 188.731 -70.6043 188.731 -0.509191 -167.1 -70.6058 -167.099 42.4257 GPRESSURE: 3782600 238.898 214.138 -68.2734 136.807 19.4893 -148.595 -30.0932 -163.215 54.6833 PRESSAVG: 3782600 25.6583 27.4599 -8.42006 27.4599 17.0505 65.7241 -8.42004 65.7242 -40.9653 GPRESSAVG: 3782600 24.6512 28.2123 -9.06487 26.3652 17.1784 65.0024 -8.88157 65.622 -40.1578 TIMING: 3782600 CPU: 10991.2, 0.00295016/step Wall: 10991.2, 0.00295016/step, 0.997645 hours remaining, 206.539062 MB of memory in use. ENERGY: 3782600 765.1107 2035.1465 1981.9365 115.1787 -207259.0145 18089.2759 0.0000 0.0000 34311.5966 -149960.7697 299.6517 -184272.3663 -149860.6185 297.9874 72.4561 104.3569 555754.9569 0.5812 0.5573 PRESSURE: 3782800 155.884 -77.4986 -41.0883 -77.4984 232.87 -104.195 -41.0881 -104.195 -41.2741 GPRESSURE: 3782800 170.837 -97.0125 -14.8056 -131.929 227.456 -59.6858 -72.9656 -99.7437 39.9944 PRESSAVG: 3782800 30.005 -54.3229 -17.4839 -54.3229 -52.7506 43.3066 -17.484 43.3065 28.326 GPRESSAVG: 3782800 29.5666 -53.8313 -16.9621 -54.4635 -51.8089 43.562 -17.0251 44.3212 27.5777 TIMING: 3782800 CPU: 10991.8, 0.00291689/step Wall: 10991.8, 0.00291689/step, 0.986233 hours remaining, 206.539062 MB of memory in use. ENERGY: 3782800 731.4804 2045.9487 1983.8501 108.9045 -206566.1362 18097.6612 0.0000 0.0000 33851.6562 -149746.6350 295.6349 -183598.2912 -149653.7175 296.8966 115.8267 146.0956 556406.5918 1.8601 1.7785 PRESSURE: 3783000 -127.036 35.2098 24.868 35.2103 194.852 32.8327 24.8683 32.8351 -227.272 GPRESSURE: 3783000 -67.8751 -15.3143 60.5054 7.75585 177.227 16.2764 -28.8755 28.0121 -170.847 PRESSAVG: 3783000 -54.8007 -48.2632 25.9952 -48.2632 103.947 -7.31596 25.9951 -7.31597 -28.1359 GPRESSAVG: 3783000 -54.5495 -48.8642 24.9084 -48.6386 103.182 -6.51847 27.4474 -5.83215 -27.3677 TIMING: 3783000 CPU: 10992.4, 0.00291261/step Wall: 10992.4, 0.00291261/step, 0.984625 hours remaining, 206.539062 MB of memory in use. ENERGY: 3783000 752.7742 2106.9309 1991.0891 104.5621 -206696.8692 17932.1290 0.0000 0.0000 34254.4139 -149554.9700 299.1523 -183809.3839 -149461.1755 298.3910 -53.1517 -20.4984 558211.9324 7.0036 7.0882 PRESSURE: 3783200 -60.0361 137.483 47.4291 137.484 9.21351 112.703 47.4293 112.703 -268.624 GPRESSURE: 3783200 -51.076 146.359 45.663 46.8634 52.076 51.8157 55.975 180.963 -211.051 PRESSAVG: 3783200 -93.4998 13.2017 33.6656 13.2017 70.1961 23.5143 33.6656 23.5142 15.1479 GPRESSAVG: 3783200 -92.6751 13.1778 36.057 14.1232 69.7911 23.5887 30.3356 23.5609 14.6396 TIMING: 3783200 CPU: 10993, 0.0028924/step Wall: 10993, 0.0028924/step, 0.977632 hours remaining, 206.539062 MB of memory in use. ENERGY: 3783200 754.8735 2124.6207 1981.4549 108.7736 -206552.4971 17801.2176 0.0000 0.0000 34245.0257 -149536.5312 299.0703 -183781.5569 -149436.1450 299.0335 -106.4823 -70.0171 557171.7583 -2.7186 -2.7481 PRESSURE: 3783400 31.4502 96.4653 199.93 96.4648 -109.932 150.481 199.929 150.482 -351.619 GPRESSURE: 3783400 46.4056 75.2448 225.786 141.089 -112.875 185.075 169.299 91.0728 -265.318 PRESSAVG: 3783400 -30.6176 45.4902 11.6054 45.4901 40.8551 15.8655 11.6054 15.8655 -44.5238 GPRESSAVG: 3783400 -31.8377 46.8558 10.554 45.4491 40.594 17.3831 13.1251 14.1955 -43.7302 TIMING: 3783400 CPU: 10993.6, 0.00293327/step Wall: 10993.6, 0.00293327/step, 0.991283 hours remaining, 206.539062 MB of memory in use. ENERGY: 3783400 749.3353 2132.4125 1960.4774 114.9551 -206234.8255 17527.1412 0.0000 0.0000 34205.0152 -149545.4888 298.7209 -183750.5040 -149452.0379 298.4517 -143.3670 -110.5960 558170.3315 -11.4287 -11.6580 PRESSURE: 3783600 -255.056 23.1758 76.4979 23.1743 -95.9833 -45.7623 76.4989 -45.7628 -420.889 GPRESSURE: 3783600 -236.184 25.7211 168.498 50.7834 -79.5952 22.5133 -5.51035 -115.715 -377.007 PRESSAVG: 3783600 -4.3178 7.53303 -5.55328 7.53313 9.51479 31.7871 -5.55333 31.7871 8.09424 GPRESSAVG: 3783600 -3.32755 5.64124 -7.94173 7.98621 8.85635 31.4573 -4.64905 31.1595 7.51684 TIMING: 3783600 CPU: 10994.1, 0.00289626/step Wall: 10994.1, 0.00289626/step, 0.978613 hours remaining, 206.539062 MB of memory in use. ENERGY: 3783600 774.8275 2092.9392 1982.9493 114.7525 -206278.2070 17602.7912 0.0000 0.0000 33991.8850 -149718.0622 296.8596 -183709.9472 -149624.3233 298.3998 -257.3094 -230.9287 557819.4917 4.4304 4.3485 PRESSURE: 3783800 -355.529 11.0602 -230.228 11.0604 -158.006 91.4899 -230.228 91.4888 -354.164 GPRESSURE: 3783800 -245.66 69.2074 -165.923 -36.1419 -199.699 123.053 -193.995 93.7235 -323.168 PRESSAVG: 3783800 -26.8521 33.1455 3.9367 33.1454 -59.6565 -1.98045 3.93671 -1.98033 66.7515 GPRESSAVG: 3783800 -27.6863 31.4059 5.59221 34.2347 -57.4727 -3.18633 3.55786 -1.92497 65.7704 TIMING: 3783800 CPU: 10994.7, 0.00290512/step Wall: 10994.7, 0.00290512/step, 0.981446 hours remaining, 206.539062 MB of memory in use. ENERGY: 3783800 768.6826 2087.7367 1974.3248 114.1593 -205986.2644 17605.2983 0.0000 0.0000 33764.3679 -149671.6949 294.8726 -183436.0628 -149573.2104 297.5197 -289.2333 -256.1754 558048.6500 -6.5857 -6.4629 PRESSURE: 3784000 -81.8136 18.5767 287.545 18.5779 124.233 113.104 287.544 113.105 -248.625 GPRESSURE: 3784000 -70.3531 116.817 235.315 -45.4779 158.724 113.53 351.255 131.587 -197.684 PRESSAVG: 3784000 1.40762 57.8566 11.9429 57.8567 17.4429 1.22411 11.9428 1.22414 35.1628 GPRESSAVG: 3784000 2.23487 58.2463 10.8736 56.5337 16.2389 2.245 11.5589 2.68198 35.8366 TIMING: 3784000 CPU: 10995.3, 0.00290876/step Wall: 10995.3, 0.00290876/step, 0.982515 hours remaining, 206.539062 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: 3784000 776.2624 2106.0417 1963.9299 113.3635 -206634.7904 18002.1568 0.0000 0.0000 34159.2076 -149513.8285 298.3209 -183673.0360 -149419.8337 297.4909 -68.7353 -36.4376 556855.4176 18.0044 18.1034 PRESSURE: 3784200 -260.036 171.934 6.93932 171.934 -65.4154 83.0049 6.93945 83.0058 -41.8642 GPRESSURE: 3784200 -224.986 122.022 116.605 148.925 -59.9071 86.6082 11.817 76.9597 13.7409 PRESSAVG: 3784200 -55.822 -27.5778 49.546 -27.5778 46.8301 26.2584 49.5459 26.2585 50.9986 GPRESSAVG: 3784200 -57.1632 -26.9301 52.1464 -25.6056 48.1478 24.7865 50.5861 25.5481 50.5106 TIMING: 3784200 CPU: 10995.9, 0.0028951/step Wall: 10995.9, 0.00289511/step, 0.977741 hours remaining, 206.539062 MB of memory in use. ENERGY: 3784200 746.8809 2091.1791 1981.5289 105.3308 -206544.3671 17769.4566 0.0000 0.0000 34278.9656 -149571.0252 299.3667 -183849.9908 -149476.6090 297.6412 -122.4386 -90.3842 557204.4504 14.0023 13.8317 LDB: ============= START OF LOAD BALANCING ============== 10999.3 LDB: ============== END OF LOAD BALANCING =============== 10999.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10999.3 LDB: ============= START OF LOAD BALANCING ============== 10999.6 LDB: Largest compute 4848 load 0.028847 is 24.5% of average load 0.117844 LDB: Average compute 0.001723 is 1.5% of average load 0.117844 LDB: TIME 10999.6 LOAD: AVG 0.117844 MAX 0.185624 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 10999.6 LOAD: AVG 0.117844 MAX 0.185624 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.52 MB LDB: TIME 10999.6 LOAD: AVG 0.117844 MAX 0.185624 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10999.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10999.6 PRESSURE: 3784400 76.4506 27.1284 99.4209 27.1283 -38.5661 28.533 99.4202 28.5334 163.122 GPRESSURE: 3784400 119.314 42.1173 80.4282 -0.0963957 42.3412 50.2902 84.975 -35.0598 141.631 PRESSAVG: 3784400 29.1219 31.6468 -9.85369 31.6467 -29.332 18.205 -9.85362 18.205 18.1831 GPRESSAVG: 3784400 29.5583 31.9984 -9.92584 31.4163 -29.8338 19.7237 -11.1589 17.241 18.3061 TIMING: 3784400 CPU: 10996.5, 0.00296944/step Wall: 10996.5, 0.00296944/step, 1.00268 hours remaining, 207.355469 MB of memory in use. ENERGY: 3784400 767.0787 2066.4678 1969.3581 122.8196 -206719.6467 17842.7456 0.0000 0.0000 34273.2022 -149677.9747 299.3164 -183951.1769 -149576.8220 298.1415 67.0022 101.0954 554865.2920 5.9910 6.0102 PRESSURE: 3784600 -49.7341 25.9841 10.914 25.9853 256.329 -15.6637 10.9142 -15.6631 -27.4356 GPRESSURE: 3784600 91.6335 11.3107 81.728 -15.0164 263.434 6.29177 -45.8452 30.0609 -86.679 PRESSAVG: 3784600 -13.7007 -0.632296 37.0338 -0.632256 14.7562 42.6801 37.0337 42.6802 2.12836 GPRESSAVG: 3784600 -13.2504 -1.11608 35.8734 -0.0191135 14.5225 40.8013 39.036 45.3029 1.6161 TIMING: 3784600 CPU: 10997.1, 0.00293461/step Wall: 10997.1, 0.00293461/step, 0.990756 hours remaining, 207.816406 MB of memory in use. ENERGY: 3784600 766.2123 2074.2761 1969.8430 109.8699 -206736.1587 17983.1378 0.0000 0.0000 34135.0480 -149697.7716 298.1099 -183832.8196 -149602.3229 298.4281 59.7199 89.4630 555385.9560 1.0613 0.9627 PRESSURE: 3784800 69.3836 -3.91177 48.1608 -3.91001 100.595 109.528 48.1613 109.528 -255.231 GPRESSURE: 3784800 92.8482 57.4695 -85.6452 -84.3418 116.335 126.651 84.8056 165.135 -208.415 PRESSAVG: 3784800 -53.1097 2.3708 -4.2515 2.37075 46.0964 50.9216 -4.25156 50.9216 15.1334 GPRESSAVG: 3784800 -52.699 4.52467 -4.90161 1.38001 45.0458 53.1831 -3.72692 49.9526 16.1057 TIMING: 3784800 CPU: 10997.6, 0.00292318/step Wall: 10997.6, 0.00292318/step, 0.986736 hours remaining, 207.816406 MB of memory in use. ENERGY: 3784800 742.4381 2105.5736 1943.2715 114.7283 -206273.4200 17671.1872 0.0000 0.0000 34091.3018 -149604.9194 297.7278 -183696.2213 -149504.8160 298.3649 -28.4177 0.2561 556781.7537 2.7067 2.8175 PRESSURE: 3785000 -171.213 -10.9109 -33.1345 -10.9117 -102.737 135.007 -33.1342 135.006 33.6224 GPRESSURE: 3785000 -136.628 -42.461 -60.8409 64.6352 -60.4754 151.681 -25.9007 61.4434 53.7572 PRESSAVG: 3785000 48.646 -50.7561 -34.2638 -50.7561 -130.66 63.0791 -34.2638 63.079 62.3189 GPRESSAVG: 3785000 47.9957 -52.4169 -35.312 -50.0408 -129.644 62.2332 -34.7321 62.818 61.9344 TIMING: 3785000 CPU: 10998.2, 0.00293551/step Wall: 10998.2, 0.00293551/step, 0.990736 hours remaining, 207.816406 MB of memory in use. ENERGY: 3785000 721.2137 2132.7598 1961.0552 109.9151 -206519.0818 17751.8852 0.0000 0.0000 34253.1218 -149589.1310 299.1410 -183842.2528 -149488.4783 298.5128 -80.1092 -47.7821 556304.3927 -6.5652 -6.5712 PRESSURE: 3785200 144.163 108.469 63.5181 108.468 224.676 -61.3812 63.5177 -61.3802 -88.6425 GPRESSURE: 3785200 197.636 174.348 95.3051 88.2896 229.171 -111.913 147.476 -39.4483 -55.9544 PRESSAVG: 3785200 6.04179 16.0001 -12.4911 16 -26.7917 38.0055 -12.491 38.0054 11.0028 GPRESSAVG: 3785200 6.98171 17.0948 -13.1517 16.1346 -28.4015 38.0275 -10.3226 38.1637 11.4861 TIMING: 3785200 CPU: 10998.8, 0.00291856/step Wall: 10998.8, 0.00291856/step, 0.984853 hours remaining, 207.816406 MB of memory in use. ENERGY: 3785200 751.1299 2116.3137 1952.3376 106.8947 -206886.0069 18096.9980 0.0000 0.0000 34182.5808 -149679.7521 298.5250 -183862.3329 -149587.6857 298.3399 93.3987 123.6174 556745.2567 -3.2490 -3.3112 PRESSURE: 3785400 -66.7505 41.721 -40.6906 41.7197 88.1655 21.5227 -40.6904 21.523 5.61179 GPRESSURE: 3785400 3.0599 63.8003 17.3985 32.4236 82.0458 63.9929 -116.192 47.6597 28.4943 PRESSAVG: 3785400 3.64287 22.4776 9.71371 22.4775 53.0431 14.3606 9.71367 14.3607 -75.1757 GPRESSAVG: 3785400 2.0424 20.637 14.4377 22.4615 54.4878 13.9572 5.68008 14.7999 -75.0341 TIMING: 3785400 CPU: 10999.4, 0.00291967/step Wall: 10999.4, 0.00291967/step, 0.985066 hours remaining, 207.816406 MB of memory in use. ENERGY: 3785400 741.6473 2122.0743 1953.3839 98.8403 -206803.0434 18020.5744 0.0000 0.0000 34087.2973 -149779.2258 297.6928 -183866.5231 -149682.9003 298.1011 9.0089 37.8667 557605.9109 -6.1632 -6.1680 PRESSURE: 3785600 -218.316 -28.7737 -83.7108 -28.7735 240.976 -74.7105 -83.7106 -74.7089 0.287946 GPRESSURE: 3785600 -166.421 25.475 -80.0096 -23.5444 226.438 -150.316 1.98438 -37.6662 58.8329 PRESSAVG: 3785600 -15.8307 -62.0667 -5.36841 -62.0667 0.12686 -32.6154 -5.36845 -32.6154 9.75363 GPRESSAVG: 3785600 -15.9747 -58.8866 -7.15065 -62.3443 -0.364167 -31.5421 -4.57831 -34.5124 9.57183 TIMING: 3785600 CPU: 11000, 0.00291379/step Wall: 11000, 0.00291379/step, 0.982917 hours remaining, 207.816406 MB of memory in use. ENERGY: 3785600 747.7874 2074.5459 1932.8441 107.1198 -206840.9482 18122.0478 0.0000 0.0000 34216.9488 -149639.6544 298.8251 -183856.6032 -149541.8848 297.7867 7.6492 39.6167 556503.9372 -1.9834 -2.2557 PRESSURE: 3785800 123.373 -45.7661 149.416 -45.766 58.7673 -22.9546 149.417 -22.9543 -74.2304 GPRESSURE: 3785800 185.828 5.74954 95.1196 -132.881 58.3875 47.3381 251.693 -17.4534 -40.4557 PRESSAVG: 3785800 -15.7392 -13.4887 -32.0133 -13.4888 57.7385 -46.7669 -32.0133 -46.7669 -27.2868 GPRESSAVG: 3785800 -15.1842 -15.0131 -32.7488 -13.9995 58.0161 -48.317 -32.6859 -46.3616 -27.7475 TIMING: 3785800 CPU: 11000.6, 0.00293011/step Wall: 11000.6, 0.00293011/step, 0.988259 hours remaining, 207.878906 MB of memory in use. ENERGY: 3785800 753.2525 2046.9264 1978.9174 105.2312 -206321.7174 17764.6867 0.0000 0.0000 34189.4780 -149483.2253 298.5852 -183672.7033 -149391.1839 298.0238 35.9700 67.9201 555793.6400 4.9041 5.0282 PRESSURE: 3786000 139.902 -185.553 43.0763 -185.553 39.8959 44.0524 43.0762 44.0534 -190.878 GPRESSURE: 3786000 168.139 -149.642 32.959 -199.571 77.7652 85.339 28.8078 31.8233 -153.853 PRESSAVG: 3786000 22.6401 1.2176 -7.60595 1.21765 58.145 8.80394 -7.606 8.80385 -65.9958 GPRESSAVG: 3786000 22.5933 2.14671 -8.50406 1.47367 58.3689 9.51788 -6.07976 8.69355 -65.7202 TIMING: 3786000 CPU: 11001.1, 0.00290184/step Wall: 11001.1, 0.00290184/step, 0.978563 hours remaining, 207.878906 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: 3786000 748.6238 2038.7606 1958.4496 114.5034 -206279.8376 17657.3044 0.0000 0.0000 34266.8937 -149495.3021 299.2613 -183762.1958 -149400.3100 298.3909 -3.6931 30.6837 557270.0269 4.9297 5.0807 PRESSURE: 3786200 -116.493 -6.13171 4.90364 -6.13324 -78.8623 127.515 4.9041 127.514 159.38 GPRESSURE: 3786200 -42.8547 23.4662 133.611 -1.22844 -87.8266 94.1217 -13.2138 96.7133 182.579 PRESSAVG: 3786200 31.1196 18.665 23.6389 18.665 16.2001 -1.13647 23.639 -1.13659 -5.3337 GPRESSAVG: 3786200 31.9055 17.5001 25.8303 19.47 15.5317 -0.322031 22.2241 -0.0627478 -5.48325 TIMING: 3786200 CPU: 11001.7, 0.00286875/step Wall: 11001.7, 0.00286876/step, 0.967249 hours remaining, 207.878906 MB of memory in use. ENERGY: 3786200 732.5592 2067.1789 1947.5287 118.6106 -206303.3684 17880.7091 0.0000 0.0000 34088.9974 -149467.7845 297.7077 -183556.7819 -149369.6710 298.7601 -11.9918 17.2992 557279.4872 13.9953 13.9847 PRESSURE: 3786400 -125.5 187.328 -100.285 187.326 -30.109 81.4944 -100.286 81.4927 -160.667 GPRESSURE: 3786400 -68.6222 269.264 -180.612 120.416 -42.4016 60.6399 -35.9977 73.5264 -108.92 PRESSAVG: 3786400 33.5229 4.99012 3.37885 4.9901 3.00002 32.8817 3.37882 32.8815 -84.9456 GPRESSAVG: 3786400 32.6916 4.04364 2.73764 5.84304 4.09402 30.517 2.17157 33.8874 -84.7382 TIMING: 3786400 CPU: 11002.3, 0.00291213/step Wall: 11002.3, 0.00291213/step, 0.981712 hours remaining, 207.878906 MB of memory in use. ENERGY: 3786400 732.3270 2093.9872 1952.3713 117.5669 -205986.1827 17560.8044 0.0000 0.0000 34184.8250 -149344.3009 298.5446 -183529.1259 -149245.9208 299.4849 -105.4254 -73.3146 557891.6058 -16.1409 -15.9842 PRESSURE: 3786600 11.1868 -104.197 -81.9328 -104.198 -132.053 -2.1231 -81.9334 -2.1224 -10.9251 GPRESSURE: 3786600 45.1525 -187.726 -91.5568 -166.142 -47.6445 -29.7124 -122.367 56.9257 -35.0283 PRESSAVG: 3786600 51.9508 -14.1867 27.6258 -14.1867 -32.2558 50.8166 27.6258 50.8166 -47.6714 GPRESSAVG: 3786600 51.3631 -12.1906 27.0969 -17.4504 -31.486 51.2142 28.6579 51.3551 -48.3896 TIMING: 3786600 CPU: 11002.9, 0.00287784/step Wall: 11002.9, 0.00287784/step, 0.969993 hours remaining, 207.878906 MB of memory in use. ENERGY: 3786600 718.5811 2039.8943 1952.8447 120.1705 -206387.8101 17956.3288 0.0000 0.0000 34073.5225 -149526.4682 297.5725 -183599.9908 -149424.7128 298.7609 -43.9304 -12.5068 560542.4972 -9.3255 -9.5041 PRESSURE: 3786800 138.951 47.8778 90.7191 47.8776 3.67853 57.4879 90.7183 57.4877 81.2729 GPRESSURE: 3786800 179.246 -13.8406 62.4705 12.1131 49.677 111.239 99.8655 38.2453 96.4305 PRESSAVG: 3786800 24.6998 -29.8008 -14.761 -29.8007 -62.5106 59.493 -14.7611 59.493 -30.3296 GPRESSAVG: 3786800 25.9085 -32.8084 -14.6608 -27.6532 -64.1012 59.2222 -15.2462 58.6712 -29.9022 TIMING: 3786800 CPU: 11003.5, 0.00289452/step Wall: 11003.5, 0.00289452/step, 0.975454 hours remaining, 207.878906 MB of memory in use. ENERGY: 3786800 716.2511 2098.0812 1942.4505 97.1864 -206676.4972 18029.8296 0.0000 0.0000 34029.9203 -149762.7780 297.1918 -183792.6984 -149670.9041 297.5974 74.6342 108.4511 559677.3477 -22.7135 -22.6983 PRESSURE: 3787000 254.077 120.674 -6.68891 120.675 -195.798 -44.6714 -6.68974 -44.6723 -267.181 GPRESSURE: 3787000 291.908 157.5 -103.908 155.27 -161.098 -139.746 43.2786 69.7571 -249.91 PRESSAVG: 3787000 140.056 54.6381 -30.4571 54.6382 -78.5895 22.6073 -30.4572 22.6072 -17.1762 GPRESSAVG: 3787000 138.769 57.5864 -27.9948 53.2919 -76.8256 22.7556 -30.7334 21.3343 -17.3127 TIMING: 3787000 CPU: 11004, 0.0028964/step Wall: 11004, 0.0028964/step, 0.975926 hours remaining, 207.878906 MB of memory in use. ENERGY: 3787000 739.4563 2100.0815 1950.7471 116.8033 -206749.9399 18031.1760 0.0000 0.0000 34114.1927 -149697.4830 297.9277 -183811.6757 -149597.4693 297.4677 -69.6340 -39.6999 560463.5007 14.7634 14.8771 PRESSURE: 3787200 49.8 -90.4223 -51.3327 -90.4228 75.3641 124.013 -51.331 124.013 252.088 GPRESSURE: 3787200 38.1405 -45.9638 -109.154 -67.8172 102.225 107.2 -64.2759 158.166 324.768 PRESSAVG: 3787200 47.7756 28.3791 -38.9178 28.379 -46.1721 -29.1822 -38.9177 -29.1823 -4.51259 GPRESSAVG: 3787200 49.1585 27.3347 -41.2962 29.0889 -47.8206 -30.0087 -36.6858 -29.162 -4.23113 TIMING: 3787200 CPU: 11004.6, 0.00291271/step Wall: 11004.6, 0.00291271/step, 0.98126 hours remaining, 207.878906 MB of memory in use. ENERGY: 3787200 757.6000 2083.1541 1934.5807 104.6655 -206842.7391 18215.7266 0.0000 0.0000 34184.8222 -149562.1899 298.5446 -183747.0121 -149463.6990 298.0018 125.7506 155.0447 557039.7583 -0.9697 -0.9644 PRESSURE: 3787400 -21.8687 229.754 -80.1798 229.753 36.6045 -12.5648 -80.1803 -12.564 -134.602 GPRESSURE: 3787400 35.4709 218.78 -51.7629 261.299 116.003 17.2545 -5.39987 -26.6636 -172.887 PRESSAVG: 3787400 55.3808 20.7776 -16.2568 20.7777 -39.7861 1.66621 -16.2568 1.66611 -0.717345 GPRESSAVG: 3787400 54.445 22.4136 -16.4919 21.7149 -38.3532 3.39297 -17.1833 1.74555 -1.39244 TIMING: 3787400 CPU: 11005.2, 0.00289842/step Wall: 11005.2, 0.00289842/step, 0.976283 hours remaining, 207.878906 MB of memory in use. ENERGY: 3787400 722.6160 2076.3581 1945.6254 101.1656 -206311.7575 17807.2250 0.0000 0.0000 34124.9422 -149533.8252 298.0216 -183658.7674 -149439.6188 298.5143 -39.9553 -7.1379 558274.1705 4.9591 4.8998 PRESSURE: 3787600 -192.663 106.474 83.1776 106.475 -216.65 129.264 83.1783 129.263 -259.825 GPRESSURE: 3787600 -208.351 44.1939 52.8904 173.47 -129.312 92.3121 91.8831 131.301 -239.917 PRESSAVG: 3787600 41.2383 58.2973 -4.20156 58.2974 -31.7266 22.3594 -4.2016 22.3593 7.06804 GPRESSAVG: 3787600 40.9432 56.5798 -4.47705 56.9325 -32.3977 20.3115 -4.50772 23.0477 7.6552 TIMING: 3787600 CPU: 11005.8, 0.00291032/step Wall: 11005.8, 0.00291032/step, 0.98013 hours remaining, 207.878906 MB of memory in use. ENERGY: 3787600 734.3851 2139.6439 1915.1741 116.7193 -206383.1587 17732.3584 0.0000 0.0000 34138.0168 -149606.8611 298.1358 -183744.8779 -149510.1781 298.1922 -223.0459 -192.5265 558821.4214 5.5266 5.4002 PRESSURE: 3787800 -177.677 179.747 -39.1969 179.747 -10.876 -89.0343 -39.1971 -89.0345 270.144 GPRESSURE: 3787800 -126.33 291.243 -84.2607 170.863 -14.5649 -73.3171 -69.5891 -59.9626 318.621 PRESSAVG: 3787800 10.9976 48.7655 -26.6149 48.7655 -30.7494 26.0681 -26.6149 26.068 2.25398 GPRESSAVG: 3787800 10.896 49.7865 -27.2047 47.6136 -30.3764 28.5294 -26.4345 23.9789 1.38542 TIMING: 3787800 CPU: 11006.4, 0.00289938/step Wall: 11006.4, 0.00289938/step, 0.976285 hours remaining, 207.878906 MB of memory in use. ENERGY: 3787800 768.2548 2050.0823 1936.8626 107.1863 -206466.3677 17979.9390 0.0000 0.0000 34232.3342 -149391.7085 298.9595 -183624.0427 -149297.7352 298.4689 27.1973 59.2421 556380.0005 -5.8326 -6.0317 PRESSURE: 3788000 -329.275 84.4113 77.5381 84.4129 -4.35635 -24.7678 77.5391 -24.767 -400.528 GPRESSURE: 3788000 -211.426 42.428 157.652 129.168 -23.77 38.5086 -31.7581 7.95881 -401.339 PRESSAVG: 3788000 -68.4477 -8.97782 0.490529 -8.97788 59.4357 19.0816 0.490574 19.0816 5.86431 GPRESSAVG: 3788000 -68.4674 -9.58988 4.82299 -8.61915 58.6402 19.1937 -0.28307 20.6744 6.64334 TIMING: 3788000 CPU: 11006.9, 0.00287473/step Wall: 11006.9, 0.00287473/step, 0.967826 hours remaining, 207.878906 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: 3788000 761.4474 2074.2273 1950.0736 109.4222 -206008.8467 17528.9116 0.0000 0.0000 34152.5592 -149432.2053 298.2628 -183584.7645 -149331.8957 298.9846 -244.7198 -212.1782 557986.3226 -1.0492 -1.0613 PRESSURE: 3788200 19.6227 36.3974 120.2 36.3968 -139.3 -12.3497 120.201 -12.3506 -100.47 GPRESSURE: 3788200 75.1486 -9.33125 138.996 93.4576 -112.942 -30.4464 68.7905 -13.1793 -78.1632 PRESSAVG: 3788200 -12.1051 28.2116 52.8437 28.2116 49.5362 51.4931 52.8437 51.4931 -9.02371 GPRESSAVG: 3788200 -11.429 26.3821 48.3585 29.2358 50.5121 50.2081 55.1772 50.5192 -11.2006 TIMING: 3788200 CPU: 11007.5, 0.0028818/step Wall: 11007.5, 0.0028818/step, 0.970047 hours remaining, 207.878906 MB of memory in use. ENERGY: 3788200 715.0232 2104.2960 1943.8066 116.4508 -206458.4913 17811.0462 0.0000 0.0000 34326.6442 -149441.2243 299.7831 -183767.8685 -149344.8202 299.4177 -73.3825 -38.6522 557101.7691 9.4691 9.2941 LDB: ============= START OF LOAD BALANCING ============== 11011 LDB: ============== END OF LOAD BALANCING =============== 11011 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11011 LDB: ============= START OF LOAD BALANCING ============== 11011.3 LDB: Largest compute 4848 load 0.029264 is 24.8% of average load 0.117880 LDB: Average compute 0.001725 is 1.5% of average load 0.117880 LDB: TIME 11011.3 LOAD: AVG 0.11788 MAX 0.181929 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.426 MB LDB: TIME 11011.3 LOAD: AVG 0.11788 MAX 0.181929 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: TIME 11011.3 LOAD: AVG 0.11788 MAX 0.181929 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: ============== END OF LOAD BALANCING =============== 11011.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11011.3 PRESSURE: 3788400 34.8475 -6.50452 -75.4023 -6.50375 -408.883 -28.0548 -75.4028 -28.0544 -268.29 GPRESSURE: 3788400 88.1343 -79.5724 -67.4225 41.6313 -408.583 18.3174 -89.103 -23.0087 -224.954 PRESSAVG: 3788400 39.7899 34.5211 -12.8954 34.5212 10.3981 -6.62265 -12.8956 -6.62259 -74.0341 GPRESSAVG: 3788400 38.8049 34.0057 -13.54 35.1136 10.6478 -5.91602 -12.0079 -6.38781 -72.7487 TIMING: 3788400 CPU: 11008.1, 0.00299888/step Wall: 11008.1, 0.00299888/step, 1.00929 hours remaining, 205.871094 MB of memory in use. ENERGY: 3788400 752.0692 2085.5003 1936.8217 115.2071 -206258.6676 17579.9705 0.0000 0.0000 34281.9098 -149507.1890 299.3924 -183789.0988 -149407.1972 298.8358 -214.1084 -181.8011 558932.9796 -7.9487 -7.7653 PRESSURE: 3788600 -123.483 53.2738 -54.001 53.2733 -248.989 -31.5621 -54.0019 -31.5635 -228.206 GPRESSURE: 3788600 -61.5308 50.996 12.7044 41.0533 -212.324 -42.2132 -99.093 -122.299 -213.927 PRESSAVG: 3788600 74.7129 45.0084 -21.5572 45.0084 -15.68 16.2838 -21.5571 16.2838 -44.6248 GPRESSAVG: 3788600 75.0645 45.3254 -19.3838 44.7884 -15.8258 16.1716 -23.6856 15.7335 -44.6234 TIMING: 3788600 CPU: 11008.7, 0.00292578/step Wall: 11008.7, 0.00292578/step, 0.984525 hours remaining, 206.074219 MB of memory in use. ENERGY: 3788600 753.6470 2096.1059 1974.5709 115.1452 -206383.6197 17695.9388 0.0000 0.0000 34099.6719 -149648.5400 297.8009 -183748.2119 -149550.6549 298.1821 -200.2259 -162.5940 558910.3941 4.8027 4.8718 PRESSURE: 3788800 -426.37 54.2172 12.8287 54.2168 -110.753 68.6423 12.8292 68.6402 -23.8375 GPRESSURE: 3788800 -432.099 -6.94147 -26.2081 -43.3328 -22.8943 -1.42926 62.8738 98.6037 -10.7172 PRESSAVG: 3788800 -21.1803 -36.1211 -26.0331 -36.1211 34.0194 -28.8412 -26.0331 -28.8413 -21.856 GPRESSAVG: 3788800 -20.7194 -33.1907 -25.4494 -37.2095 33.2593 -29.8636 -27.5651 -28.747 -21.7803 TIMING: 3788800 CPU: 11009.3, 0.00290894/step Wall: 11009.3, 0.00290894/step, 0.978697 hours remaining, 206.074219 MB of memory in use. ENERGY: 3788800 748.0346 2101.4292 1967.8638 106.9594 -206083.4189 17514.3339 0.0000 0.0000 34052.3421 -149592.4560 297.3876 -183644.7981 -149485.1112 298.6056 -186.9868 -155.2369 557798.0421 -3.0056 -3.0801 PRESSURE: 3789000 19.9156 -29.7721 -80.9453 -29.7706 327.423 -178.547 -80.9447 -178.547 251.151 GPRESSURE: 3789000 87.4828 19.3932 -119.461 -14.6287 357.638 -100.668 -87.1127 -184.512 249.072 PRESSAVG: 3789000 15.7829 -25.9367 19.712 -25.9368 0.868712 -46.8083 19.712 -46.8082 0.442717 GPRESSAVG: 3789000 16.5601 -27.6047 18.5193 -25.7231 0.323238 -47.9773 23.572 -45.665 0.0964002 TIMING: 3789000 CPU: 11009.9, 0.00290594/step Wall: 11009.9, 0.00290594/step, 0.977524 hours remaining, 206.074219 MB of memory in use. ENERGY: 3789000 742.2898 2069.5078 1966.9761 115.0108 -206821.1131 18299.2504 0.0000 0.0000 34014.5761 -149613.5022 297.0578 -183628.0783 -149518.0488 298.2891 199.4966 231.3976 555392.7561 5.6981 5.6599 PRESSURE: 3789200 63.3985 46.5404 -119.929 46.5402 -13.0466 31.6386 -119.93 31.639 156.764 GPRESSURE: 3789200 110.234 45.357 -142.053 22.9441 42.064 61.6992 -106.791 -14.7858 170.642 PRESSAVG: 3789200 -37.0438 56.2997 -0.0199638 56.2997 4.13291 -103.782 -0.0198565 -103.782 1.36831 GPRESSAVG: 3789200 -37.6675 56.9274 0.98872 55.9927 4.31295 -101.358 -2.53228 -104.763 1.8524 TIMING: 3789200 CPU: 11010.4, 0.00295406/step Wall: 11010.4, 0.00295406/step, 0.993548 hours remaining, 206.074219 MB of memory in use. ENERGY: 3789200 747.9587 2077.6270 1958.0922 119.0834 -206387.7929 18009.1482 0.0000 0.0000 33985.9634 -149489.9198 296.8079 -183475.8832 -149392.2357 297.6091 69.0387 107.6466 555342.8675 -10.5142 -10.5007 PRESSURE: 3789400 -36.2739 5.13026 -57.8579 5.12978 -155.063 123.312 -57.8573 123.313 -271.949 GPRESSURE: 3789400 -0.362069 5.4353 -64.2507 25.4612 -90.549 -3.00574 -34.5728 117.324 -277.147 PRESSAVG: 3789400 -32.3048 47.506 -12.933 47.506 -27.5773 -27.4591 -12.933 -27.4592 36.8692 GPRESSAVG: 3789400 -33.119 46.9707 -12.181 47.6508 -27.2546 -28.0723 -13.954 -26.7419 37.3839 TIMING: 3789400 CPU: 11011, 0.00297983/step Wall: 11011, 0.00297983/step, 1.00205 hours remaining, 206.074219 MB of memory in use. ENERGY: 3789400 740.9659 2087.5072 1979.2469 105.5648 -206145.0456 17586.9207 0.0000 0.0000 34248.7825 -149396.0576 299.1031 -183644.8401 -149295.6396 298.3489 -154.4287 -122.6861 557828.8951 -7.6709 -7.6632 PRESSURE: 3789600 68.1175 106.539 -100.054 106.538 -75.787 59.459 -100.054 59.4588 -145.559 GPRESSURE: 3789600 70.9805 80.4767 -21.6572 38.638 -10.9718 56.4979 -127.259 40.0322 -123.107 PRESSAVG: 3789600 10.0078 -4.59907 -5.4113 -4.59904 26.6554 -25.7945 -5.41137 -25.7946 -38.428 GPRESSAVG: 3789600 10.4003 -4.74112 -7.13669 -4.15205 27.2091 -24.2705 -3.88792 -27.2129 -39.6558 TIMING: 3789600 CPU: 11011.6, 0.00294854/step Wall: 11011.6, 0.00294854/step, 0.991364 hours remaining, 206.074219 MB of memory in use. ENERGY: 3789600 729.7065 2128.6948 1949.4570 108.1499 -206218.3344 17802.0279 0.0000 0.0000 34119.5663 -149380.7320 297.9747 -183500.2983 -149287.6114 298.7010 -51.0761 -21.0327 559083.1683 -0.5883 -0.6821 PRESSURE: 3789800 -58.6309 181.393 -70.9398 181.392 51.164 -139.228 -70.9391 -139.226 -53.3928 GPRESSURE: 3789800 -7.19319 326.014 -150.938 88.1099 94.1682 -76.1467 -42.5241 -103.25 -53.3483 PRESSAVG: 3789800 30.8093 -0.66656 -32.2137 -0.666486 13.8813 -15.3106 -32.2136 -15.3106 -51.2536 GPRESSAVG: 3789800 29.287 -0.152911 -31.997 -0.840413 13.9683 -17.6314 -32.4603 -12.0706 -49.9967 TIMING: 3789800 CPU: 11012.2, 0.00293956/step Wall: 11012.2, 0.00293956/step, 0.988184 hours remaining, 206.074219 MB of memory in use. ENERGY: 3789800 715.8661 2105.0024 1978.7846 123.5170 -206127.7051 17781.9934 0.0000 0.0000 34183.5867 -149238.9549 298.5338 -183422.5416 -149144.5147 298.5603 -20.2866 11.2089 557366.1915 -2.1876 -2.2471 PRESSURE: 3790000 -79.2127 17.6896 44.0682 17.6894 -52.9914 -143.764 44.0691 -143.765 122.793 GPRESSURE: 3790000 -68.3425 15.6206 -14.009 -20.7585 -39.6392 -99.9778 -9.35579 -139.901 174.733 PRESSAVG: 3790000 3.04764 -10.8002 6.94825 -10.8002 9.45504 -37.4541 6.94817 -37.4541 11.1271 GPRESSAVG: 3790000 3.39073 -9.67223 7.9815 -10.9573 8.83101 -36.8358 7.43053 -38.086 11.522 TIMING: 3790000 CPU: 11012.8, 0.00295558/step Wall: 11012.8, 0.00295558/step, 0.993403 hours remaining, 206.074219 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: 3790000 731.9385 2127.3321 1970.2006 122.4451 -206124.3770 17785.1379 0.0000 0.0000 34228.2442 -149159.0785 298.9238 -183387.3227 -149066.6453 299.6021 -3.1370 22.2506 557818.2106 7.8766 7.9146 PRESSURE: 3790200 -93.0248 -142.595 98.6228 -142.597 -180.36 151.757 98.6213 151.757 -43.6263 GPRESSURE: 3790200 -32.5201 -65.9553 8.95593 -206.455 -132.4 134.955 148.975 192.475 -40.4736 PRESSAVG: 3790200 -74.3757 -15.022 1.98214 -15.022 64.4202 -2.58876 1.98205 -2.58877 31.4345 GPRESSAVG: 3790200 -73.5893 -14.1389 -0.117616 -13.9087 63.9472 -3.08477 1.61862 -2.82913 31.2095 TIMING: 3790200 CPU: 11013.4, 0.00291713/step Wall: 11013.4, 0.00291713/step, 0.980318 hours remaining, 206.074219 MB of memory in use. ENERGY: 3790200 723.4493 2039.6632 1978.9493 119.4291 -206082.6544 17772.3941 0.0000 0.0000 34294.6120 -149154.1575 299.5034 -183448.7694 -149064.7770 298.7595 -105.6703 -68.4645 558621.6710 7.1597 7.1891 PRESSURE: 3790400 153.864 -122.767 -2.2049 -122.768 -89.6441 -28.8327 -2.20641 -28.834 101.369 GPRESSURE: 3790400 110.966 -136.359 123.863 -28.8132 -55.2454 -5.16144 36.9066 -53.0671 204.389 PRESSAVG: 3790400 3.54349 5.18198 -18.6661 5.18201 37.4578 36.2136 -18.6662 36.2137 -44.6078 GPRESSAVG: 3790400 2.31594 4.85742 -17.8062 3.99401 38.6017 37.2798 -19.3371 34.6107 -44.7594 TIMING: 3790400 CPU: 11014, 0.0028982/step Wall: 11014, 0.0028982/step, 0.973796 hours remaining, 206.074219 MB of memory in use. ENERGY: 3790400 700.7130 2124.5527 1961.2967 118.7286 -206705.4478 17919.3749 0.0000 0.0000 34527.4923 -149353.2897 301.5372 -183880.7820 -149256.4171 299.5643 55.1962 86.7031 555296.7391 -1.2022 -1.2806 PRESSURE: 3790600 -228.019 44.7876 17.7384 44.7879 -58.2212 -75.5963 17.7383 -75.5944 6.45032 GPRESSURE: 3790600 -214.909 41.2915 -54.9399 112.813 -1.05966 -16.0216 23.8162 -55.3311 25.3851 PRESSAVG: 3790600 -0.767311 2.76339 48.6863 2.76342 -67.866 42.2918 48.6863 42.2918 75.3346 GPRESSAVG: 3790600 -0.804166 2.20797 50.274 2.67021 -68.318 42.2865 48.072 44.0457 75.1146 TIMING: 3790600 CPU: 11014.6, 0.002903/step Wall: 11014.6, 0.002903/step, 0.975248 hours remaining, 206.074219 MB of memory in use. ENERGY: 3790600 720.5417 2160.1995 1956.6802 107.8299 -206176.2860 17782.1416 0.0000 0.0000 34168.0570 -149280.8361 298.3981 -183448.8931 -149182.3120 299.6355 -93.2634 -63.5280 557327.5231 2.2338 1.9975 PRESSURE: 3790800 177.647 101.696 51.5889 101.696 0.788917 -139.997 51.5882 -139.995 -89.6563 GPRESSURE: 3790800 194.539 100.225 90.5897 42.6377 62.7546 -138.011 54.9211 -138.363 -84.0341 PRESSAVG: 3790800 37.3279 3.27023 -43.2586 3.27025 21.9236 -76.4315 -43.2586 -76.4315 -10.472 GPRESSAVG: 3790800 37.6347 2.53111 -44.5826 3.89069 22.1512 -77.3674 -42.2858 -77.4059 -10.3907 TIMING: 3790800 CPU: 11015.1, 0.00289048/step Wall: 11015.1, 0.00289048/step, 0.970881 hours remaining, 206.074219 MB of memory in use. ENERGY: 3790800 722.6993 2093.5665 1958.1321 111.5403 -206555.8337 17992.7752 0.0000 0.0000 34431.9306 -149245.1897 300.7026 -183677.1204 -149149.1245 299.4903 29.5933 57.7532 557630.2212 16.2599 16.4651 PRESSURE: 3791000 -212.553 -161.531 -19.8977 -161.532 27.9547 54.2112 -19.898 54.2123 -612.296 GPRESSURE: 3791000 -191.241 -178.739 43.4319 -160.663 51.6908 67.3037 -108.774 110.977 -569.647 PRESSAVG: 3791000 12.6852 34.2152 -36.8502 34.2153 -36.7445 -22.1248 -36.8503 -22.1248 8.05203 GPRESSAVG: 3791000 13.5066 33.9173 -36.3168 34.7355 -36.9367 -21.4903 -38.5115 -20.9258 7.55565 TIMING: 3791000 CPU: 11015.7, 0.00289187/step Wall: 11015.7, 0.00289187/step, 0.971185 hours remaining, 206.074219 MB of memory in use. ENERGY: 3791000 770.6503 2054.7648 1966.8389 116.3823 -205577.6918 17347.7731 0.0000 0.0000 34103.3347 -149217.9478 297.8329 -183321.2824 -149127.5536 298.9865 -265.6313 -236.3992 557978.3882 -5.3358 -5.2915 PRESSURE: 3791200 -155.102 37.2486 -141.175 37.2475 -264.259 -93.3509 -141.177 -93.3518 -157.536 GPRESSURE: 3791200 -123.452 -17.35 -181.962 15.5785 -256.391 -29.5078 -115.297 -162.572 -101.916 PRESSAVG: 3791200 60.5295 5.04394 -26.1714 5.04394 -27.1035 1.88281 -26.1715 1.8827 -10.576 GPRESSAVG: 3791200 59.2862 4.80493 -26.614 3.8705 -26.4628 1.42692 -23.1282 1.40368 -10.0631 TIMING: 3791200 CPU: 11016.3, 0.0029173/step Wall: 11016.3, 0.0029173/step, 0.979564 hours remaining, 206.074219 MB of memory in use. ENERGY: 3791200 796.5762 2151.5825 1959.6644 99.1722 -206310.9531 17553.9421 0.0000 0.0000 34459.9756 -149290.0401 300.9475 -183750.0157 -149186.8973 299.5365 -192.2989 -160.5862 557256.3686 7.6167 7.5868 PRESSURE: 3791400 6.55241 34.9269 -60.8014 34.9252 -12.0728 34.1882 -60.801 34.1875 128.658 GPRESSURE: 3791400 27.2081 24.1502 -16.3215 -39.6454 37.8205 33.1691 -69.3224 17.2389 161.407 PRESSAVG: 3791400 -6.16889 12.6836 -2.86148 12.6836 37.1941 -0.857606 -2.86146 -0.857589 -59.2706 GPRESSAVG: 3791400 -4.69923 13.3673 -1.96243 13.0882 37.0285 -2.87612 -6.26534 -1.70983 -60.3378 TIMING: 3791400 CPU: 11016.9, 0.00292208/step Wall: 11016.9, 0.00292208/step, 0.981009 hours remaining, 206.074219 MB of memory in use. ENERGY: 3791400 773.8509 2075.7045 1964.0130 119.3527 -206403.6056 18079.0251 0.0000 0.0000 34155.6539 -149236.0056 298.2898 -183391.6594 -149144.6184 298.9289 41.0457 75.4786 558868.7203 -9.4151 -9.3362 PRESSURE: 3791600 -50.9816 -85.7544 109.515 -85.7547 180.021 71.9075 109.515 71.9089 -233.85 GPRESSURE: 3791600 24.217 -86.9926 110.213 -102.013 171.703 172.696 119.382 69.261 -200.627 PRESSAVG: 3791600 -11.8708 17.1104 14.9237 17.1105 49.612 40.1684 14.9238 40.1685 -24.4482 GPRESSAVG: 3791600 -10.4751 16.4928 14.2704 18.5281 49.5056 42.6682 16.8962 41.1339 -25.7393 TIMING: 3791600 CPU: 11017.5, 0.00293115/step Wall: 11017.5, 0.00293115/step, 0.983889 hours remaining, 206.074219 MB of memory in use. ENERGY: 3791600 784.5571 2039.2429 1993.5092 115.9609 -206161.3841 17904.3917 0.0000 0.0000 34195.1529 -149128.5695 298.6348 -183323.7224 -149026.8806 299.0027 -34.9371 -1.5689 559370.1218 4.4310 4.4304 PRESSURE: 3791800 30.0773 -143.109 205.237 -143.109 241.472 28.1817 205.236 28.1805 -147.493 GPRESSURE: 3791800 63.8431 -179.155 195.526 -108.073 250.971 4.32337 218.881 50.0403 -97.4279 PRESSAVG: 3791800 32.0062 -49.8278 -30.2112 -49.8278 -22.0476 -17.3614 -30.2112 -17.3614 33.2037 GPRESSAVG: 3791800 29.8703 -50.5487 -30.4106 -49.2786 -21.5545 -19.0138 -31.67 -16.2652 35.2953 TIMING: 3791800 CPU: 11018, 0.00288895/step Wall: 11018, 0.00288895/step, 0.969564 hours remaining, 206.074219 MB of memory in use. ENERGY: 3791800 715.7303 2080.8346 1942.8700 101.4209 -206016.4530 17787.0643 0.0000 0.0000 34248.4017 -149140.1313 299.0998 -183388.5330 -149038.3087 299.0881 41.3520 72.4621 559035.6295 14.3874 14.5370 PRESSURE: 3792000 -56.4673 34.3968 102.765 34.3967 -84.3567 -107.02 102.766 -107.021 5.11601 GPRESSURE: 3792000 -29.9707 43.6264 68.9771 14.6619 -77.6412 -180.321 98.7002 -47.1502 72.0686 PRESSAVG: 3792000 4.14332 8.50592 54.9458 8.50594 -78.0735 -22.504 54.9457 -22.5042 -3.88875 GPRESSAVG: 3792000 4.50401 9.70469 56.8643 7.48075 -78.521 -22.5483 55.2673 -22.8139 -3.87867 TIMING: 3792000 CPU: 11018.6, 0.00288854/step Wall: 11018.6, 0.00288854/step, 0.969266 hours remaining, 206.074219 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: 3792000 726.8063 2101.8542 1929.1308 120.3066 -205951.1669 17732.3562 0.0000 0.0000 34420.3000 -148920.4127 300.6010 -183340.7127 -148826.8515 299.3594 -45.2360 -11.8477 559254.9608 -25.9397 -25.9652 PRESSURE: 3792200 -95.5162 108.322 -150.935 108.322 27.2565 -61.9617 -150.935 -61.962 66.1338 GPRESSURE: 3792200 -72.3656 34.8759 -196.77 128.475 110.028 -102.424 -48.267 -41.6514 47.6494 PRESSAVG: 3792200 25.7971 44.9161 38.4384 44.9162 -61.3347 -56.1629 38.4383 -56.163 0.945064 GPRESSAVG: 3792200 25.4075 45.8068 36.3921 43.4195 -60.3959 -56.0771 38.159 -56.9192 0.391637 TIMING: 3792200 CPU: 11019.2, 0.00288636/step Wall: 11019.2, 0.00288636/step, 0.968374 hours remaining, 206.074219 MB of memory in use. ENERGY: 3792200 763.4590 2112.0214 1948.4188 123.4264 -205802.1830 17670.1837 0.0000 0.0000 34105.1585 -149079.5152 297.8488 -183184.6737 -148983.6771 299.5594 -0.7086 28.4372 557829.9063 -11.5308 -11.5323 LDB: ============= START OF LOAD BALANCING ============== 11022.7 LDB: ============== END OF LOAD BALANCING =============== 11022.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11022.7 LDB: ============= START OF LOAD BALANCING ============== 11023 LDB: Largest compute 4848 load 0.030120 is 25.6% of average load 0.117868 LDB: Average compute 0.001727 is 1.5% of average load 0.117868 LDB: TIME 11023 LOAD: AVG 0.117868 MAX 0.18283 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 11023 LOAD: AVG 0.117868 MAX 0.18283 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: TIME 11023 LOAD: AVG 0.117868 MAX 0.18283 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.82 MB LDB: ============== END OF LOAD BALANCING =============== 11023 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11023 PRESSURE: 3792400 -156.04 -14.3482 -33.8694 -14.348 -215.653 101.213 -33.8689 101.212 -197.153 GPRESSURE: 3792400 -109.398 15.3005 14.248 -73.3117 -168.107 92.8542 14.3773 116.43 -204.747 PRESSAVG: 3792400 57.0374 7.61956 32.5943 7.61962 10.5374 13.6584 32.5944 13.6585 -7.76779 GPRESSAVG: 3792400 57.0569 5.53103 34.1513 9.73138 10.095 15.0397 33.0653 12.5881 -7.21937 TIMING: 3792400 CPU: 11019.8, 0.00296448/step Wall: 11019.8, 0.00296448/step, 0.994418 hours remaining, 207.117188 MB of memory in use. ENERGY: 3792400 745.0245 2096.6815 1915.8869 120.7864 -205450.2611 17413.2758 0.0000 0.0000 34066.7787 -149091.8273 297.5137 -183158.6060 -148999.0058 298.9679 -189.6154 -160.7505 559366.9438 19.9357 19.9775 PRESSURE: 3792600 42.3954 -139.801 -114.524 -139.801 31.206 -24.5931 -114.524 -24.5948 -110.085 GPRESSURE: 3792600 120.113 -90.529 -136.354 -131.208 66.6151 -0.27981 -189.151 -96.6202 -123.66 PRESSAVG: 3792600 -18.8483 27.5491 -40.6536 27.549 45.1566 21.0055 -40.6534 21.0054 -23.921 GPRESSAVG: 3792600 -19.658 26.6899 -43.2014 26.4712 46.1769 19.567 -40.8275 23.1044 -23.981 TIMING: 3792600 CPU: 11020.4, 0.00293201/step Wall: 11020.4, 0.00293201/step, 0.983364 hours remaining, 207.261719 MB of memory in use. ENERGY: 3792600 744.7249 2036.9077 1962.3454 117.1839 -206143.1005 17832.9416 0.0000 0.0000 34280.1539 -149168.8431 299.3771 -183448.9970 -149067.6824 299.1906 -12.1613 21.0228 558396.4577 0.7957 0.8460 PRESSURE: 3792800 349.719 -24.5615 -135.93 -24.5624 178.146 -93.3421 -135.93 -93.3424 244.541 GPRESSURE: 3792800 403.652 18.7713 -46.4166 -29.9901 227.017 -55.0735 -226.846 -110.238 231.848 PRESSAVG: 3792800 -2.92995 -21.2503 -14.2525 -21.2503 32.8146 48.5689 -14.2525 48.5688 12.1386 GPRESSAVG: 3792800 -2.85217 -17.4041 -11.374 -22.5072 33.7871 49.8692 -15.5261 47.2497 10.4998 TIMING: 3792800 CPU: 11021, 0.00291659/step Wall: 11021, 0.00291659/step, 0.978029 hours remaining, 207.261719 MB of memory in use. ENERGY: 3792800 740.3519 2022.6739 1960.8983 109.4048 -206591.7126 18318.8369 0.0000 0.0000 34348.4226 -149091.1243 299.9733 -183439.5470 -149003.5084 298.6733 257.4684 287.5058 557538.7438 14.0078 13.8116 PRESSURE: 3793000 -31.1267 -23.378 -33.9908 -23.3784 -270.284 -126.301 -33.9899 -126.3 143.078 GPRESSURE: 3793000 -42.2153 -148.989 -51.9208 -18.106 -180.965 -77.0591 14.3042 -73.4945 150.264 PRESSAVG: 3793000 57.7047 -38.7899 -10.7766 -38.7899 -35.1277 5.65193 -10.7766 5.65206 3.39822 GPRESSAVG: 3793000 58.55 -41.0073 -13.4155 -38.7996 -37.6481 6.53243 -9.03793 4.84013 4.88872 TIMING: 3793000 CPU: 11021.5, 0.00289937/step Wall: 11021.5, 0.00289937/step, 0.972094 hours remaining, 207.261719 MB of memory in use. ENERGY: 3793000 733.7008 2063.2723 1914.8565 100.8076 -205829.5390 17699.1455 0.0000 0.0000 34308.9457 -149008.8107 299.6286 -183317.7564 -148910.1777 300.2878 -52.7774 -24.3057 557624.7646 8.6584 8.5969 PRESSURE: 3793200 -45.9508 121.958 -79.2997 121.957 1.01384 -65.6433 -79.3004 -65.6419 -185.121 GPRESSURE: 3793200 18.8299 96.0368 -90.3602 105.566 -12.7847 -1.48945 -63.8287 -57.4486 -156.693 PRESSAVG: 3793200 6.05464 -11.8451 -16.2858 -11.8451 32.4062 0.387447 -16.2858 0.387276 -36.5558 GPRESSAVG: 3793200 5.07362 -12.3321 -15.4794 -9.29211 32.809 -0.808453 -17.0536 0.568746 -36.9154 TIMING: 3793200 CPU: 11022.1, 0.00290253/step Wall: 11022.1, 0.00290253/step, 0.972994 hours remaining, 207.261719 MB of memory in use. ENERGY: 3793200 729.1121 2119.2141 1943.7410 108.0691 -205977.6552 17702.1608 0.0000 0.0000 34368.3250 -149007.0330 300.1471 -183375.3581 -148915.3085 299.3616 -76.6861 -50.2159 558283.6102 0.6350 0.3224 PRESSURE: 3793400 108.243 -229.887 76.998 -229.889 102.127 24.6934 76.9973 24.6931 -22.2911 GPRESSURE: 3793400 147.058 -313.663 25.903 -203.93 156.654 90.7457 104.281 17.9767 -15.8692 PRESSAVG: 3793400 -73.5143 -53.2012 -10.4604 -53.2012 54.0958 -60.901 -10.4605 -60.901 19.7164 GPRESSAVG: 3793400 -72.9557 -51.3404 -10.3381 -54.4886 53.2438 -59.9383 -9.2601 -60.482 19.3714 TIMING: 3793400 CPU: 11022.7, 0.00289684/step Wall: 11022.7, 0.00289683/step, 0.970923 hours remaining, 207.386719 MB of memory in use. ENERGY: 3793400 799.1707 2015.1664 1983.8758 111.9195 -206160.5793 18023.3105 0.0000 0.0000 34337.1611 -148889.9754 299.8750 -183227.1365 -148792.3990 299.5990 62.6928 95.9476 556848.6437 0.0993 -0.1135 PRESSURE: 3793600 -214.795 117.2 69.2398 117.2 -53.5251 -59.0861 69.2397 -59.0854 -72.716 GPRESSURE: 3793600 -177.868 104 6.18488 7.92902 -11.9549 -134.803 232.294 -15.2302 -54.6916 PRESSAVG: 3793600 17.503 -39.1902 84.1771 -39.1902 -19.7204 -15.7236 84.1772 -15.7235 6.47507 GPRESSAVG: 3793600 16.6541 -41.0158 85.4504 -38.6392 -18.6166 -14.837 82.4458 -17.3855 6.36379 TIMING: 3793600 CPU: 11023.3, 0.00290164/step Wall: 11023.3, 0.00290164/step, 0.972373 hours remaining, 207.386719 MB of memory in use. ENERGY: 3793600 737.5274 2097.5782 1962.7497 103.5750 -205825.5632 17498.6190 0.0000 0.0000 34358.9618 -149066.5522 300.0654 -183425.5140 -148980.5802 299.3326 -113.6788 -81.5047 557667.1809 1.4192 1.4671 PRESSURE: 3793800 -5.22798 -27.8932 155.747 -27.8945 -106.287 174.018 155.746 174.017 -171.262 GPRESSURE: 3793800 -17.1219 1.16528 226.365 -56.6975 -42.9294 66.3304 136.581 160.94 -130.589 PRESSAVG: 3793800 32.7975 18.9745 14.0681 18.9746 -48.9729 -4.77989 14.0682 -4.78 18.7132 GPRESSAVG: 3793800 32.1687 19.7277 12.3854 18.9782 -48.4082 -7.77124 14.9224 -3.46636 18.309 TIMING: 3793800 CPU: 11023.9, 0.00288029/step Wall: 11023.9, 0.00288029/step, 0.965057 hours remaining, 207.386719 MB of memory in use. ENERGY: 3793800 750.1515 2044.7724 1933.9313 118.0007 -205707.3063 17560.7859 0.0000 0.0000 34275.3664 -149024.2981 299.3353 -183299.6645 -148939.4650 299.4244 -94.2589 -63.5466 558608.9220 0.8460 0.6899 PRESSURE: 3794000 -65.505 17.0758 22.2748 17.0759 -81.6869 -146.531 22.2734 -146.531 11.114 GPRESSURE: 3794000 7.24683 46.876 20.4299 99.2442 -88.7743 -89.9237 4.35091 -95.8094 30.2054 PRESSAVG: 3794000 -22.914 -20.0986 -4.99281 -20.0986 31.1936 52.1072 -4.99269 52.1071 -43.2814 GPRESSAVG: 3794000 -21.7287 -18.7467 -3.49961 -19.61 31.0025 53.2128 -5.32844 52.6881 -43.9536 TIMING: 3794000 CPU: 11024.4, 0.00290864/step Wall: 11024.4, 0.00290864/step, 0.974396 hours remaining, 207.386719 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: 3794000 767.5805 2049.7605 1958.2416 105.0025 -205815.4559 17632.7551 0.0000 0.0000 34210.9412 -149091.1746 298.7727 -183302.1157 -148995.2837 299.1661 -45.3593 -17.1074 558455.8322 -11.6672 -11.5600 PRESSURE: 3794200 377.57 88.7198 -23.3241 88.7201 -32.5266 -131.011 -23.3252 -131.012 354.044 GPRESSURE: 3794200 384.547 65.39 -45.579 58.5148 46.9636 -61.9839 29.652 -196.123 368.701 PRESSAVG: 3794200 -49.3131 -53.1036 31.0195 -53.1037 -3.5972 -39.0199 31.0194 -39.02 84.0569 GPRESSAVG: 3794200 -50.8798 -52.6018 30.8339 -54.9043 -3.47966 -40.7144 31.0552 -39.0172 85.0091 TIMING: 3794200 CPU: 11025, 0.00291573/step Wall: 11025, 0.00291573/step, 0.976608 hours remaining, 207.386719 MB of memory in use. ENERGY: 3794200 703.6039 2091.1742 1937.6877 110.7959 -206292.5292 18130.1562 0.0000 0.0000 34263.2472 -149055.8641 299.2295 -183319.1113 -148957.7930 299.2024 233.0292 266.7371 556305.0308 10.3822 10.2165 PRESSURE: 3794400 115.687 32.9954 -63.8486 32.9952 70.6969 -177.18 -63.8488 -177.178 -111.581 GPRESSURE: 3794400 158.148 -64.0153 -75.2675 65.8321 97.1117 -206.989 -62.228 -78.7401 -76.98 PRESSAVG: 3794400 5.41146 12.0069 25.2497 12.007 -16.3759 -59.556 25.2497 -59.5559 21.2164 GPRESSAVG: 3794400 5.55748 9.44941 24.6975 12.3191 -16.4227 -58.5806 27.132 -57.817 21.8086 TIMING: 3794400 CPU: 11025.6, 0.00293158/step Wall: 11025.6, 0.00293158/step, 0.981752 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794400 736.1719 2120.1988 1942.4107 104.9277 -205979.3137 17818.0615 0.0000 0.0000 34370.9417 -148886.6013 300.1700 -183257.5430 -148789.8473 299.6502 24.9345 59.4267 557530.7165 3.4173 3.6478 PRESSURE: 3794600 -328.54 8.58853 -134.286 8.59063 -557.702 -154.006 -134.287 -154.007 54.5325 GPRESSURE: 3794600 -284.656 29.246 -153.336 4.32637 -509.146 -216.966 -101.751 -86.8976 69.3175 PRESSAVG: 3794600 -16.0938 -16.5609 -10.5501 -16.5609 6.56422 -11.533 -10.5502 -11.533 17.552 GPRESSAVG: 3794600 -14.7741 -15.1409 -10.6391 -15.3635 6.17305 -10.8034 -12.7397 -14.7577 16.4625 TIMING: 3794600 CPU: 11026.2, 0.0029572/step Wall: 11026.2, 0.0029572/step, 0.990168 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794600 744.8775 2038.2351 1948.2594 105.4759 -205538.2519 17350.1934 0.0000 0.0000 34286.2743 -149064.9363 299.4306 -183351.2106 -148964.8907 299.6303 -277.2364 -241.4949 558619.2509 2.6741 2.6205 PRESSURE: 3794800 93.1219 -71.727 -109.065 -71.7267 -149.401 21.7936 -109.065 21.7926 103.191 GPRESSURE: 3794800 129.422 -65.2117 -84.2786 -5.93356 -71.0244 46.0554 -174.647 -72.8819 78.2448 PRESSAVG: 3794800 10.2756 2.49051 -1.37575 2.49047 -35.5143 2.42818 -1.37568 2.42814 39.5823 GPRESSAVG: 3794800 10.4873 0.617909 -0.889947 3.43775 -35.0391 1.69627 -1.30838 3.18844 38.3519 TIMING: 3794800 CPU: 11026.8, 0.00292943/step Wall: 11026.8, 0.00292943/step, 0.980709 hours remaining, 207.414062 MB of memory in use. ENERGY: 3794800 804.2484 2064.2083 1937.7535 104.0935 -205977.4653 17723.8715 0.0000 0.0000 34269.1276 -149074.1626 299.2808 -183343.2901 -148981.5372 299.3882 15.6374 45.5475 557515.2287 4.7812 4.6001 PRESSURE: 3795000 -21.7771 82.838 -87.0728 82.8377 9.50424 16.0632 -87.0731 16.0633 112.738 GPRESSURE: 3795000 59.6547 101.046 -76.4623 44.1166 15.9757 34.7402 -57.0541 30.1803 131.591 PRESSAVG: 3795000 -13.6888 -36.4606 7.35659 -36.4605 -13.8317 0.947697 7.35652 0.94769 2.80975 GPRESSAVG: 3795000 -14.5792 -36.307 7.16863 -38.0401 -13.9176 0.0630914 8.2491 2.11378 4.06824 TIMING: 3795000 CPU: 11027.4, 0.00293596/step Wall: 11027.4, 0.00293596/step, 0.98273 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795000 718.5161 2059.2461 1950.8635 109.7320 -205891.3203 17762.0269 0.0000 0.0000 34332.9039 -148958.0318 299.8378 -183290.9357 -148859.4390 299.8005 33.4883 69.0739 558470.4284 -8.2369 -8.1429 PRESSURE: 3795200 -41.8546 86.4016 129.091 86.4022 -339.85 -32.2768 129.091 -32.2778 -236.081 GPRESSURE: 3795200 -20.9672 88.2168 183.684 51.4743 -323.113 2.89763 104.301 -82.1051 -167.916 PRESSAVG: 3795200 -23.7678 17.8469 32.4035 17.8469 -13.0015 -7.52794 32.4035 -7.52808 -31.2533 GPRESSAVG: 3795200 -23.8277 18.6248 34.4436 16.9691 -12.9268 -8.12378 32.1657 -7.92068 -31.1352 TIMING: 3795200 CPU: 11028, 0.00289325/step Wall: 11028, 0.00289325/step, 0.968276 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795200 777.4943 2148.2308 1938.0449 109.1201 -205779.3598 17547.0959 0.0000 0.0000 34366.0792 -148893.2945 300.1275 -183259.3738 -148798.4356 299.9039 -205.9285 -170.6653 559087.6418 -22.6742 -22.6299 PRESSURE: 3795400 12.5323 56.6471 -96.1354 56.6488 -116.213 -105.58 -96.1345 -105.578 50.0214 GPRESSURE: 3795400 16.2198 106.287 -54.1817 56.5459 -98.0107 -210.554 -64.9112 -158.442 143.375 PRESSAVG: 3795400 -15.5215 -10.842 47.9167 -10.8419 -45.9059 -6.16107 47.9165 -6.16112 94.1318 GPRESSAVG: 3795400 -14.5294 -10.2544 45.8163 -10.0033 -45.902 -6.72001 49.1299 -5.47008 93.8028 TIMING: 3795400 CPU: 11028.5, 0.00292365/step Wall: 11028.5, 0.00292365/step, 0.978287 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795400 735.8966 2093.5899 1945.3054 105.0226 -206154.4270 17720.2970 0.0000 0.0000 34437.9690 -149116.3466 300.7553 -183554.3156 -149025.6284 299.9479 -17.8864 20.5280 555812.2643 10.9015 11.1238 PRESSURE: 3795600 -165.862 62.6015 138.048 62.6008 -257.368 19.615 138.048 19.6156 44.9822 GPRESSURE: 3795600 -125.105 61.9299 73.5985 57.1036 -214.991 -52.7206 209.329 20.2342 70.4033 PRESSAVG: 3795600 -12.8031 18.1832 38.5912 18.1833 -35.6052 -32.1674 38.5912 -32.1674 96.7832 GPRESSAVG: 3795600 -13.0895 18.7145 39.5121 18.7408 -35.0083 -31.7827 36.9451 -32.7891 95.9556 TIMING: 3795600 CPU: 11029.1, 0.00289199/step Wall: 11029.1, 0.00289199/step, 0.96753 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795600 729.3690 2124.0337 1931.6673 106.8182 -205903.9704 17482.6962 0.0000 0.0000 34306.0194 -149223.3666 299.6030 -183529.3860 -149127.8684 299.7684 -126.0825 -89.8977 556578.1555 16.1250 15.9526 PRESSURE: 3795800 -148.413 76.4685 -64.5859 76.4684 -215.805 72.4419 -64.5873 72.4421 19.8416 GPRESSURE: 3795800 -211.213 79.5144 -22.3734 95.9928 -138.425 -14.4459 -92.3367 131.894 94.1636 PRESSAVG: 3795800 -37.8481 -1.98397 3.71074 -1.98405 -17.1087 10.3624 3.71076 10.3624 64.1499 GPRESSAVG: 3795800 -37.7114 -3.76296 3.24826 -2.7076 -17.6404 11.7179 5.44241 10.1845 64.6782 TIMING: 3795800 CPU: 11029.7, 0.00289234/step Wall: 11029.7, 0.00289234/step, 0.967489 hours remaining, 207.414062 MB of memory in use. ENERGY: 3795800 760.1412 2088.6492 1943.1277 119.7825 -205976.7074 17581.9897 0.0000 0.0000 34252.9808 -149230.0363 299.1398 -183483.0171 -149126.7503 299.4096 -114.7921 -85.1581 555856.7416 3.0644 3.1088 PRESSURE: 3796000 -14.8666 -202.045 -157.832 -202.046 -115.747 -6.86507 -157.833 -6.86402 -187.007 GPRESSURE: 3796000 12.1395 -248.942 -89.3666 -187.796 -100.663 57.362 -169.119 80.2519 -131.006 PRESSAVG: 3796000 37.8612 -1.46919 25.5688 -1.46927 14.4941 -7.50163 25.5688 -7.50164 -87.8665 GPRESSAVG: 3796000 37.2644 0.641187 26.8662 -3.36828 14.1427 -7.47383 24.0629 -7.39225 -86.5165 TIMING: 3796000 CPU: 11030.3, 0.00290976/step Wall: 11030.3, 0.00290976/step, 0.973154 hours remaining, 207.414062 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: 3796000 743.8573 2134.4147 1943.0029 100.9028 -205757.0366 17598.1060 0.0000 0.0000 34184.8126 -149051.9403 298.5445 -183236.7529 -148950.6014 299.4695 -105.8733 -73.1766 558854.4988 -11.8370 -11.7031 PRESSURE: 3796200 41.2047 54.7566 41.8812 54.7562 314.676 -45.9168 41.8805 -45.9173 -228.603 GPRESSURE: 3796200 52.2157 139.263 71.0576 -16.6526 350.411 -76.6222 67.5887 35.9789 -183.703 PRESSAVG: 3796200 15.8122 19.4814 2.42732 19.4814 21.7228 -60.9256 2.42738 -60.9256 6.20977 GPRESSAVG: 3796200 16.1501 19.1361 1.51536 21.1958 21.9169 -60.1186 2.89881 -63.0152 5.85571 TIMING: 3796200 CPU: 11030.9, 0.00290082/step Wall: 11030.9, 0.00290082/step, 0.970002 hours remaining, 207.414062 MB of memory in use. ENERGY: 3796200 748.9861 2070.7382 1944.9120 108.9974 -206090.4190 17886.8989 0.0000 0.0000 34167.8106 -149162.0756 298.3960 -183329.8863 -149066.8002 299.1410 42.4260 72.9746 557260.3811 14.5816 14.6409 LDB: ============= START OF LOAD BALANCING ============== 11034.3 LDB: ============== END OF LOAD BALANCING =============== 11034.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11034.3 LDB: ============= START OF LOAD BALANCING ============== 11034.6 LDB: Largest compute 4848 load 0.029189 is 24.8% of average load 0.117920 LDB: Average compute 0.001725 is 1.5% of average load 0.117920 LDB: TIME 11034.6 LOAD: AVG 0.11792 MAX 0.185652 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.898 MB LDB: TIME 11034.6 LOAD: AVG 0.11792 MAX 0.185652 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.031 MB LDB: TIME 11034.6 LOAD: AVG 0.11792 MAX 0.185652 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.031 MB LDB: ============== END OF LOAD BALANCING =============== 11034.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11034.6 PRESSURE: 3796400 103.816 6.92958 -50.8325 6.92817 228.407 61.6536 -50.8326 61.6559 60.4663 GPRESSURE: 3796400 151.473 49.1061 -147.654 26.1863 228.837 20.4486 3.31595 160.617 108.872 PRESSAVG: 3796400 -35.5167 29.1353 27.0514 29.1353 35.8855 3.7105 27.0513 3.71045 9.20099 GPRESSAVG: 3796400 -34.6301 27.1198 26.1621 31.5686 35.708 3.79641 27.2242 4.55815 8.52031 TIMING: 3796400 CPU: 11031.4, 0.00296067/step Wall: 11031.4, 0.00296067/step, 0.98985 hours remaining, 207.613281 MB of memory in use. ENERGY: 3796400 724.1682 2136.5570 1977.1363 111.9074 -206512.0753 18040.0632 0.0000 0.0000 34317.9022 -149204.3410 299.7068 -183522.2432 -149114.8837 299.3732 130.8964 163.0607 556435.3762 3.1899 3.1994 PRESSURE: 3796600 -8.41589 99.3431 -109.649 99.342 147.014 -120.29 -109.649 -120.291 -61.7426 GPRESSURE: 3796600 -16.3284 78.6089 -145.012 104.861 183.99 -216.488 -111.305 -91.6271 -4.23008 PRESSAVG: 3796600 45.2648 15.8554 -3.44297 15.8554 15.8809 -15.4004 -3.44288 -15.4004 -74.949 GPRESSAVG: 3796600 43.6679 17.5053 -4.20393 13.9161 17.6879 -17.8314 -3.05746 -14.046 -75.3258 TIMING: 3796600 CPU: 11032, 0.00292285/step Wall: 11032, 0.00292285/step, 0.977044 hours remaining, 207.683594 MB of memory in use. ENERGY: 3796600 745.8673 2085.5047 1951.5729 123.2346 -206347.1132 17966.1818 0.0000 0.0000 34289.6634 -149185.0885 299.4602 -183474.7519 -149089.7067 299.0473 25.6186 54.4772 557743.7580 -4.6011 -4.6567 PRESSURE: 3796800 24.6233 -117.317 25.2624 -117.316 -7.9763 -67.7463 25.2634 -67.7469 63.0299 GPRESSURE: 3796800 60.5611 -76.6085 -50.9056 -124.3 30.5962 -54.6292 81.2759 -193.672 80.1503 PRESSAVG: 3796800 -29.4073 -56.1655 26.7488 -56.1655 -43.1679 -16.1675 26.7488 -16.1676 32.1685 GPRESSAVG: 3796800 -28.7729 -56.5336 27.7883 -56.4831 -43.642 -16.7695 25.4859 -18.1554 31.833 TIMING: 3796800 CPU: 11032.6, 0.00290899/step Wall: 11032.6, 0.00290899/step, 0.972248 hours remaining, 207.683594 MB of memory in use. ENERGY: 3796800 746.7075 2134.5951 1924.7634 110.4558 -206560.5274 17986.9234 0.0000 0.0000 34301.6062 -149355.4760 299.5645 -183657.0822 -149262.2802 299.4582 26.5590 57.1026 557096.7044 -13.4689 -13.5273 PRESSURE: 3797000 53.3218 -9.60868 -77.8852 -9.60836 134.044 114.75 -77.8844 114.75 -190.426 GPRESSURE: 3797000 155.83 -59.1319 -164.981 -27.9039 75.2394 111.93 -37.2027 96.3092 -127.667 PRESSAVG: 3797000 -10.6334 -27.3315 91.5567 -27.3316 2.55794 -18.5191 91.5568 -18.5192 -0.938429 GPRESSAVG: 3797000 -9.21942 -28.8501 91.9924 -26.2541 2.33906 -13.3371 91.9664 -17.6004 -1.2596 TIMING: 3797000 CPU: 11033.2, 0.00292535/step Wall: 11033.2, 0.00292535/step, 0.977553 hours remaining, 207.683594 MB of memory in use. ENERGY: 3797000 744.8105 2109.6959 1927.2658 103.4601 -206110.4422 17742.1613 0.0000 0.0000 34175.4313 -149307.6173 298.4625 -183483.0486 -149217.1765 299.9869 -1.0200 34.4676 558184.0006 -3.0046 -2.7133 PRESSURE: 3797200 -39.6262 -38.1877 129.346 -38.1873 -68.4007 -76.4075 129.346 -76.408 -95.9806 GPRESSURE: 3797200 40.8026 -44.6237 194.393 -146.81 -112.518 7.4347 185.647 -52.2618 -30.6427 PRESSAVG: 3797200 22.65 -49.7827 56.2384 -49.7828 8.01297 22.4747 56.2384 22.4747 -34.2898 GPRESSAVG: 3797200 21.3183 -47.639 56.597 -48.6721 8.08519 17.6115 56.994 23.1601 -33.7498 TIMING: 3797200 CPU: 11033.8, 0.0029046/step Wall: 11033.8, 0.0029046/step, 0.970458 hours remaining, 207.683594 MB of memory in use. ENERGY: 3797200 723.8718 2099.6801 1953.9513 113.0652 -206332.0990 17746.1203 0.0000 0.0000 34339.8105 -149355.5998 299.8981 -183695.4102 -149254.0117 299.1957 -68.0025 -34.1193 556410.4672 -1.2090 -1.4488 PRESSURE: 3797400 -210.481 -154.654 152.669 -154.654 -78.7783 -47.2007 152.669 -47.2009 168.761 GPRESSURE: 3797400 -184.375 -200.363 165.111 -113.55 -33.9602 -8.23241 158.186 -117.721 191.148 PRESSAVG: 3797400 -9.13153 -56.7724 103.988 -56.7723 24.5895 -31.853 103.988 -31.8529 12.0941 GPRESSAVG: 3797400 -8.36819 -57.333 104.978 -57.8926 24.4129 -29.6905 103.935 -33.3148 11.7641 TIMING: 3797400 CPU: 11034.4, 0.00290988/step Wall: 11034.4, 0.00290988/step, 0.972062 hours remaining, 207.683594 MB of memory in use. ENERGY: 3797400 756.7897 2096.2677 1929.7834 120.7890 -206323.3923 17817.3993 0.0000 0.0000 34356.8015 -149245.5617 300.0465 -183602.3632 -149148.6919 299.3667 -40.1664 -9.0626 556900.2278 9.1840 9.2696 PRESSURE: 3797600 81.2618 -81.1262 127.455 -81.1267 -73.6036 40.5543 127.455 40.5523 -98.1872 GPRESSURE: 3797600 98.4128 -94.3651 50.5506 -63.8801 -19.2604 25.1297 146.553 7.01546 -52.964 PRESSAVG: 3797600 -45.2339 -33.8392 57.5735 -33.8392 34.0358 -42.673 57.5734 -42.673 9.30436 GPRESSAVG: 3797600 -43.9187 -34.7215 58.0266 -33.8144 33.1933 -43.2744 57.3849 -43.3336 8.95036 TIMING: 3797600 CPU: 11034.9, 0.00289126/step Wall: 11034.9, 0.00289126/step, 0.96568 hours remaining, 207.683594 MB of memory in use. ENERGY: 3797600 747.1316 2088.5519 1955.1405 108.1439 -206169.2560 17779.8786 0.0000 0.0000 34245.2459 -149245.1637 299.0722 -183490.4096 -149148.8743 299.8846 -30.1763 8.7295 557723.6999 -0.6312 -0.5917 PRESSURE: 3797800 7.07745 131.065 -34.4259 131.065 -38.2301 -62.7582 -34.4262 -62.7577 -189.223 GPRESSURE: 3797800 30.9896 87.1254 -41.1501 65.2257 24.279 -46.8269 54.5741 -54.1355 -171.912 PRESSAVG: 3797800 -14.3126 26.1124 40.3751 26.1123 -12.222 -61.4974 40.375 -61.4975 -11.3571 GPRESSAVG: 3797800 -15.6151 28.4738 39.2176 24.0063 -10.872 -61.6857 40.0569 -60.0771 -11.4506 TIMING: 3797800 CPU: 11035.5, 0.00290059/step Wall: 11035.5, 0.00290059/step, 0.968635 hours remaining, 207.683594 MB of memory in use. ENERGY: 3797800 739.0683 2115.9077 1948.9809 106.0853 -206100.8091 17628.4994 0.0000 0.0000 34254.8918 -149307.3757 299.1565 -183562.2675 -149214.9366 299.2740 -73.4586 -38.8810 558194.3743 -12.6306 -12.6459 PRESSURE: 3798000 -157.006 60.1486 -49.1868 60.1493 211.961 96.6028 -49.185 96.6028 6.15415 GPRESSURE: 3798000 -75.1332 118.936 -124.609 18.0225 212.201 84.877 77.7295 136.953 5.00395 PRESSAVG: 3798000 -49.3377 48.3882 27.1986 48.3882 33.4163 -67.8417 27.1986 -67.8417 22.2641 GPRESSAVG: 3798000 -48.4015 48.4062 26.7373 49.8461 31.9121 -68.6717 27.8219 -66.7638 22.857 TIMING: 3798000 CPU: 11036.1, 0.00291276/step Wall: 11036.1, 0.00291276/step, 0.972539 hours remaining, 207.683594 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: 3798000 767.0991 2138.6253 1975.6088 108.5824 -206673.0888 17987.4699 0.0000 0.0000 34277.3426 -149418.3607 299.3526 -183695.7033 -149322.7886 298.4220 20.3697 47.3572 556825.3682 2.1142 2.1225 PRESSURE: 3798200 156.824 -18.4212 163.896 -18.4219 161.46 -127.514 163.896 -127.515 336.08 GPRESSURE: 3798200 152.405 -148.242 85.6803 28.481 219.872 -156.847 177.036 -112.633 366.476 PRESSAVG: 3798200 -8.77089 25.3708 0.17065 25.3709 44.623 -3.27591 0.170692 -3.27599 -23.5516 GPRESSAVG: 3798200 -9.52386 23.9582 -0.993453 25.823 45.0998 -1.3348 -2.0867 -3.43394 -23.7165 TIMING: 3798200 CPU: 11036.7, 0.00289543/step Wall: 11036.7, 0.00289543/step, 0.966591 hours remaining, 207.683594 MB of memory in use. ENERGY: 3798200 752.0364 2059.7766 1968.0363 110.2212 -206949.7681 18340.6880 0.0000 0.0000 34347.2593 -149371.7503 299.9632 -183719.0096 -149271.3293 298.7758 218.1215 246.2511 556066.2330 4.1002 3.9531 PRESSURE: 3798400 -192.434 -137.989 -37.044 -137.989 95.0016 -39.5165 -37.0446 -39.5158 -248.511 GPRESSURE: 3798400 -178.741 -77.4552 -139.737 -155.982 139.523 3.5385 21.1495 -56.2028 -219.752 PRESSAVG: 3798400 -12.3586 -21.9872 11.544 -21.9871 37.2683 2.38187 11.5441 2.38192 81.6267 GPRESSAVG: 3798400 -12.3834 -23.0321 9.86363 -21.689 38.2675 3.08326 12.4588 0.947517 80.8536 TIMING: 3798400 CPU: 11037.3, 0.00289778/step Wall: 11037.3, 0.00289778/step, 0.967216 hours remaining, 207.683594 MB of memory in use. ENERGY: 3798400 739.0152 2076.0625 1942.6823 115.5318 -206318.8211 17728.3062 0.0000 0.0000 34126.6795 -149590.5438 298.0368 -183717.2232 -149494.3171 298.3925 -115.3144 -86.3231 557552.7861 35.5121 35.5792 PRESSURE: 3798600 39.6171 4.04666 106.067 4.04555 -213.712 144.596 106.066 144.596 22.3924 GPRESSURE: 3798600 43.6119 18.446 122.687 -21.8362 -104.353 106.264 120.749 108.538 14.9948 PRESSAVG: 3798600 35.966 -21.1596 -23.7663 -21.1596 -1.4291 -7.13617 -23.7663 -7.13618 -7.41057 GPRESSAVG: 3798600 36.4647 -22.8565 -21.7105 -19.4531 -2.30513 -9.87807 -24.2502 -3.92573 -6.82571 TIMING: 3798600 CPU: 11037.8, 0.0029053/step Wall: 11037.8, 0.0029053/step, 0.969563 hours remaining, 207.683594 MB of memory in use. ENERGY: 3798600 762.6807 2066.5456 1946.3504 111.3717 -206688.9188 17977.1509 0.0000 0.0000 34319.1506 -149505.6688 299.7177 -183824.8194 -149402.0254 298.8598 -50.5674 -15.2487 556501.3566 9.0421 9.1113 PRESSURE: 3798800 -69.5989 -68.9695 57.7563 -68.9711 -158.211 53.5489 57.7566 53.5486 -105.326 GPRESSURE: 3798800 -56.5588 -2.82683 86.028 -77.8083 -127.618 7.49859 32.6887 52.4371 -39.3158 PRESSAVG: 3798800 -56.7375 6.77671 13.4406 6.77673 -16.9366 -5.65577 13.4407 -5.65587 22.7882 GPRESSAVG: 3798800 -58.2908 9.80405 12.9148 3.07603 -16.9878 -5.59182 13.4374 -6.56775 23.8952 TIMING: 3798800 CPU: 11038.4, 0.00292996/step Wall: 11038.4, 0.00292996/step, 0.977629 hours remaining, 207.683594 MB of memory in use. ENERGY: 3798800 758.4425 2121.3433 1965.3889 113.1327 -206412.8914 17837.4570 0.0000 0.0000 34100.9662 -149516.1607 297.8122 -183617.1270 -149420.9136 299.0416 -111.0453 -74.4976 557185.6623 -16.9619 -17.1278 PRESSURE: 3799000 25.4034 -21.5735 42.742 -21.5741 -174.394 186.136 42.7408 186.137 28.4189 GPRESSURE: 3799000 99.2377 -15.0737 11.6446 -29.5816 -127.219 144.373 64.6787 181.282 9.53155 PRESSAVG: 3799000 -22.167 -30.4437 -14.8931 -30.4438 -9.13504 14.7549 -14.8931 14.755 -4.80435 GPRESSAVG: 3799000 -19.9302 -30.9196 -15.1222 -28.255 -8.85281 15.7689 -11.9211 13.7463 -7.23157 TIMING: 3799000 CPU: 11039, 0.00292639/step Wall: 11039, 0.00292639/step, 0.976276 hours remaining, 207.683594 MB of memory in use. ENERGY: 3799000 708.8404 2080.7802 1972.5814 115.3653 -206368.8776 17835.5964 0.0000 0.0000 33950.7469 -149704.9670 296.5003 -183655.7139 -149613.1146 298.3094 -40.1906 -6.1501 558131.3128 -12.0355 -12.0049 PRESSURE: 3799200 -395.223 -136.502 -103.304 -136.502 -117.438 43.3322 -103.305 43.3326 90.2919 GPRESSURE: 3799200 -329.538 -180.018 -160.842 -122.906 -76.7391 75.2204 -76.1871 40.0805 74.9682 PRESSAVG: 3799200 -23.1159 8.97687 -19.2932 8.97683 75.4001 -3.55425 -19.2933 -3.55419 2.25849 GPRESSAVG: 3799200 -24.2255 8.0586 -17.1254 8.90883 74.9966 -4.93456 -21.815 -2.44878 3.89822 TIMING: 3799200 CPU: 11039.6, 0.002947/step Wall: 11039.6, 0.002947/step, 0.982987 hours remaining, 207.683594 MB of memory in use. ENERGY: 3799200 763.9182 2082.1028 1974.9899 112.0563 -206767.4580 17740.0129 0.0000 0.0000 34477.7479 -149616.6300 301.1027 -184094.3778 -149515.4687 298.3866 -140.7898 -110.4362 556008.6680 18.1809 18.2231 PRESSURE: 3799400 -30.9295 213.776 31.9672 213.777 -67.5031 84.1969 31.9677 84.1965 -2.02744 GPRESSURE: 3799400 5.05458 234.254 98.0742 249.197 -104.604 -6.96736 -48.1379 204.591 106.214 PRESSAVG: 3799400 -70.5055 -2.50462 -7.14864 -2.50456 24.2223 -49.2389 -7.14861 -49.2389 49.0626 GPRESSAVG: 3799400 -69.6984 -3.09017 -8.13381 -2.29963 23.7196 -48.1023 -6.31827 -49.1315 48.8225 TIMING: 3799400 CPU: 11040.2, 0.00294129/step Wall: 11040.2, 0.00294129/step, 0.980921 hours remaining, 207.683594 MB of memory in use. ENERGY: 3799400 759.1084 2038.8227 1961.4403 117.4817 -206678.4690 17942.3268 0.0000 0.0000 34260.0462 -149599.2429 299.2015 -183859.2891 -149500.3930 298.6310 -33.4867 2.2216 556662.3611 0.9265 0.9479 PRESSURE: 3799600 -123.064 8.85956 48.0731 8.85932 -83.1361 -39.4999 48.0735 -39.5014 68.1881 GPRESSURE: 3799600 -36.9128 13.202 -62.0183 -61.7696 -85.8371 -68.1332 86.1955 -17.73 100.369 PRESSAVG: 3799600 -33.0328 9.20152 56.3957 9.2015 -15.6973 -48.6786 56.3957 -48.6786 73.4305 GPRESSAVG: 3799600 -33.0044 11.0368 56.3467 9.33299 -15.5687 -49.2547 54.8378 -49.2571 72.6448 TIMING: 3799600 CPU: 11040.8, 0.00293137/step Wall: 11040.8, 0.00293137/step, 0.977449 hours remaining, 207.683594 MB of memory in use. ENERGY: 3799600 716.2861 2106.4082 1953.9239 112.1504 -206541.6688 17893.5804 0.0000 0.0000 34177.1707 -149582.1492 298.4777 -183759.3199 -149492.4154 298.3697 -46.0041 -7.4602 557646.6100 8.2335 8.0239 PRESSURE: 3799800 -38.8333 -63.5316 45.1825 -63.5321 260.597 87.7579 45.1834 87.7584 -41.6649 GPRESSURE: 3799800 83.8658 36.5795 59.7302 -163.512 237.764 161.313 -12.2007 26.0609 -33.6279 PRESSAVG: 3799800 -41.9191 -16.6789 32.1448 -16.679 9.60255 1.61687 32.1447 1.61687 23.5521 GPRESSAVG: 3799800 -41.3043 -15.4759 30.3778 -17.5329 9.61846 3.01913 32.9984 1.39063 23.4566 TIMING: 3799800 CPU: 11041.4, 0.00290828/step Wall: 11041.4, 0.00290828/step, 0.969589 hours remaining, 207.683594 MB of memory in use. ENERGY: 3799800 755.7145 2169.5938 1973.1249 125.1873 -206746.6029 18074.4327 0.0000 0.0000 34087.1280 -149561.4217 297.6914 -183648.5496 -149469.2505 298.1050 60.0330 96.0006 556363.3355 -2.9215 -2.7431 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3800000 -30.4475 -144.468 50.8084 -144.467 137.401 5.61533 50.8085 5.61671 125.281 GPRESSURE: 3800000 20.7122 -187.376 18.0244 -163.022 184.326 59.1542 9.31013 -27.8317 135.722 PRESSAVG: 3800000 -25.5468 -0.501112 -0.671626 -0.501048 57.7724 -12.1327 -0.67168 -12.1327 -6.90406 GPRESSAVG: 3800000 -26.2396 -0.726967 -0.111583 -0.623216 57.1943 -14.1437 0.986896 -10.0955 -5.88977 TIMING: 3800000 CPU: 11042, 0.00295285/step Wall: 11042, 0.00295285/step, 0.984284 hours remaining, 207.808594 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: 3800000 752.3443 2079.5357 1965.5477 122.4911 -206848.4054 18206.0290 0.0000 0.0000 34214.5187 -149507.9390 298.8039 -183722.4576 -149408.3606 298.5687 77.4113 113.5865 556490.0006 8.4405 8.3550 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 82.606 45.2884 -71.9815 45.2887 -41.7762 -40.2059 -71.9827 -40.2065 -12.0261 GPRESSURE: 3800200 144.997 -20.8136 -54.0986 107.044 -28.6636 -80.2868 -3.13293 -66.5123 2.26083 PRESSAVG: 3800200 4.77238 3.28832 33.0948 3.28838 -17.3477 -35.7286 33.0948 -35.7285 20.3944 GPRESSAVG: 3800200 4.84457 1.74278 34.8943 4.52965 -17.0103 -36.1487 29.5104 -36.8294 20.3289 TIMING: 3800200 CPU: 11042.5, 0.00295038/step Wall: 11042.5, 0.00295038/step, 0.983297 hours remaining, 207.808594 MB of memory in use. ENERGY: 3800200 768.0932 2111.7038 1922.3717 108.4342 -206971.8108 18131.9149 0.0000 0.0000 34355.2060 -149574.0869 300.0326 -183929.2930 -149475.7816 298.6125 9.6012 39.5315 557408.0987 2.6064 2.7211 LDB: ============= START OF LOAD BALANCING ============== 11046 LDB: ============== END OF LOAD BALANCING =============== 11046 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11046 LDB: ============= START OF LOAD BALANCING ============== 11046.3 LDB: Largest compute 4848 load 0.028503 is 24.2% of average load 0.117800 LDB: Average compute 0.001733 is 1.5% of average load 0.117800 LDB: TIME 11046.3 LOAD: AVG 0.1178 MAX 0.182535 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.328 MB LDB: TIME 11046.3 LOAD: AVG 0.1178 MAX 0.182535 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.398 MB LDB: TIME 11046.3 LOAD: AVG 0.1178 MAX 0.182535 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.398 MB LDB: ============== END OF LOAD BALANCING =============== 11046.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11046.3 PRESSURE: 3800400 -126.811 46.5214 109.417 46.5235 -4.60354 -136.962 109.418 -136.963 -111.879 GPRESSURE: 3800400 -88.3689 51.3153 24.3459 117.945 47.4606 -171.141 134.349 -99.7176 -113.766 PRESSAVG: 3800400 -78.1878 35.5006 -11.7843 35.5007 -8.81215 40.2543 -11.7843 40.2544 19.8449 GPRESSAVG: 3800400 -78.6953 37.625 -13.1593 35.3343 -7.78704 41.6525 -8.87271 40.0636 19.3571 TIMING: 3800400 CPU: 11043.1, 0.00298652/step Wall: 11043.1, 0.00298652/step, 0.995174 hours remaining, 207.875000 MB of memory in use. ENERGY: 3800400 733.6121 2127.8375 1920.1609 106.4831 -206441.0560 17788.7470 0.0000 0.0000 34213.5804 -149550.6348 298.7957 -183764.2153 -149459.8430 298.4585 -81.0980 -51.5580 558239.3282 -22.3850 -22.3751 PRESSURE: 3800600 -66.8406 157.208 -220.134 157.206 174.432 5.96295 -220.134 5.963 291.044 GPRESSURE: 3800600 -5.71551 50.4337 -245.823 131.467 253.93 -47.4152 -262.503 42.8596 254.861 PRESSAVG: 3800600 -0.910824 33.5407 -24.6188 33.5407 -49.3811 -18.1087 -24.6189 -18.1088 32.2002 GPRESSAVG: 3800600 -1.11992 33.1246 -24.1372 33.7666 -48.7752 -19.5929 -23.876 -18.5562 32.0577 TIMING: 3800600 CPU: 11043.7, 0.002932/step Wall: 11043.7, 0.002932/step, 0.976843 hours remaining, 207.984375 MB of memory in use. ENERGY: 3800600 729.3087 2133.2674 1953.4087 118.3089 -206854.0317 18241.8787 0.0000 0.0000 34165.5188 -149512.3407 298.3760 -183677.8594 -149412.6322 299.0392 132.8784 167.6916 558297.2706 -6.0306 -5.9458 PRESSURE: 3800800 102.165 18.436 -77.6459 18.4353 -78.6739 -6.66801 -77.6449 -6.66802 115.137 GPRESSURE: 3800800 120.727 -40.2981 -47.6869 87.4133 -42.7656 -10.9724 -72.1327 -1.15332 155.745 PRESSAVG: 3800800 -6.59034 3.84691 -5.95717 3.84682 7.96697 34.279 -5.95724 34.279 8.77861 GPRESSAVG: 3800800 -5.30686 2.20851 -4.30905 4.74817 7.56489 36.1207 -7.81221 33.5573 8.44259 TIMING: 3800800 CPU: 11044.3, 0.00290959/step Wall: 11044.3, 0.00290958/step, 0.969215 hours remaining, 207.984375 MB of memory in use. ENERGY: 3800800 736.9084 2100.9056 1968.0872 112.9470 -206568.0459 18034.0901 0.0000 0.0000 34182.0925 -149433.0151 298.5207 -183615.1076 -149340.8349 298.2563 46.2095 77.9021 559262.9994 3.3851 3.5669 PRESSURE: 3801000 -94.3289 -51.2102 -110.508 -51.2096 67.1823 37.8093 -110.509 37.8092 -153.375 GPRESSURE: 3801000 -80.0525 -78.4859 -197.674 -97.6913 77.2379 -28.9879 -55.6135 52.7117 -92.9078 PRESSAVG: 3801000 31.1237 -45.6198 44.5466 -45.6197 -17.5503 -14.4654 44.5466 -14.4654 8.40575 GPRESSAVG: 3801000 30.2708 -45.4176 41.2334 -46.7999 -17.9583 -14.3294 46.6265 -15.4483 9.04653 TIMING: 3801000 CPU: 11044.9, 0.00290891/step Wall: 11044.9, 0.00290891/step, 0.96883 hours remaining, 208.277344 MB of memory in use. ENERGY: 3801000 767.4688 2133.0099 1933.3826 121.5867 -206461.9476 17971.9712 0.0000 0.0000 34169.3494 -149365.1790 298.4094 -183534.5285 -149266.9413 298.5993 -60.1739 -31.9074 559615.4726 7.3264 7.1197 PRESSURE: 3801200 95.7284 -71.4744 -173.163 -71.475 66.6877 -87.806 -173.162 -87.8052 23.0194 GPRESSURE: 3801200 124.52 -138.089 -158.199 -79.6896 107.481 -154.343 -139.903 48.1676 62.9319 PRESSAVG: 3801200 -13.7689 34.3002 -17.4063 34.3003 -30.962 10.6666 -17.4064 10.6665 21.4793 GPRESSAVG: 3801200 -13.4164 35.0209 -16.393 32.6828 -30.5633 8.42307 -17.1815 13.7879 21.2408 TIMING: 3801200 CPU: 11045.5, 0.00291213/step Wall: 11045.5, 0.00291213/step, 0.96974 hours remaining, 208.277344 MB of memory in use. ENERGY: 3801200 742.0645 2105.3858 1916.9850 105.6522 -206190.5550 17957.5353 0.0000 0.0000 34202.6274 -149160.3047 298.7001 -183362.9321 -149059.8751 298.5219 61.8118 98.3112 558299.3479 -7.7505 -7.5796 PRESSURE: 3801400 40.2228 129.189 -48.9325 129.188 -116.061 33.8279 -48.9328 33.8276 -86.7317 GPRESSURE: 3801400 52.3358 146.255 -32.6251 98.5164 -60.0973 -37.4628 -145.124 53.1298 -54.8615 PRESSAVG: 3801400 79.8749 3.85071 -34.0798 3.85079 -29.7372 10.3252 -34.0798 10.3252 -45.7551 GPRESSAVG: 3801400 79.5743 2.30643 -31.551 6.09228 -30.1688 12.8812 -35.8505 9.12072 -45.5894 TIMING: 3801400 CPU: 11046.1, 0.00291886/step Wall: 11046.1, 0.00291886/step, 0.97182 hours remaining, 208.277344 MB of memory in use. ENERGY: 3801400 767.1309 2149.5317 1919.7694 111.0239 -206149.0998 17775.4759 0.0000 0.0000 34360.5981 -149065.5700 300.0796 -183426.1680 -148969.5371 299.7204 -54.1900 -20.8743 557551.4310 1.4609 1.2720 PRESSURE: 3801600 34.4764 -77.8653 -94.1592 -77.865 -174.304 75.9129 -94.1582 75.9131 -178.919 GPRESSURE: 3801600 88.4236 -81.0376 -191.013 -38.9994 -174.394 89.1545 -79.1269 38.3792 -147.072 PRESSAVG: 3801600 29.6927 -1.66352 -49.3866 -1.6636 -14.5616 -63.2887 -49.3866 -63.2886 -22.1003 GPRESSAVG: 3801600 29.8249 -1.0773 -50.7469 -1.45864 -15.0741 -64.0046 -49.1021 -64.3812 -22.2041 TIMING: 3801600 CPU: 11046.6, 0.00292437/step Wall: 11046.6, 0.00292437/step, 0.973491 hours remaining, 208.277344 MB of memory in use. ENERGY: 3801600 697.9262 2126.1147 1934.0346 115.3832 -206197.3539 17820.3593 0.0000 0.0000 34494.4677 -149009.0682 301.2488 -183503.5359 -148904.1385 299.9890 -106.2491 -77.6807 559069.3071 -2.3231 -2.4844 PRESSURE: 3801800 -235.695 11.5168 -37.4894 11.5179 298.522 -0.139189 -37.4902 -0.140349 233.462 GPRESSURE: 3801800 -164.083 11.5634 32.0395 -62.863 325.627 -31.5864 3.20567 38.0911 236.319 PRESSAVG: 3801800 -32.3253 -32.746 -45.4171 -32.746 9.29136 -32.2896 -45.4171 -32.2897 6.18526 GPRESSAVG: 3801800 -30.9064 -32.7123 -44.927 -32.2853 9.48224 -32.8808 -44.4559 -30.6476 4.65568 TIMING: 3801800 CPU: 11047.2, 0.00292723/step Wall: 11047.2, 0.00292723/step, 0.974279 hours remaining, 208.277344 MB of memory in use. ENERGY: 3801800 741.4399 2091.1302 1929.3863 109.0168 -206120.4233 17915.6137 0.0000 0.0000 34380.5697 -148953.2668 300.2541 -183333.8366 -148853.2450 299.2744 98.7630 132.6208 557024.4137 -5.6162 -5.5895 PRESSURE: 3802000 -9.10788 105.845 -146.374 105.844 156.017 17.9502 -146.375 17.9494 -15.8681 GPRESSURE: 3802000 62.57 29.5438 -148.383 179.998 185.098 3.43023 -136.866 10.6892 -17.8839 PRESSAVG: 3802000 -43.8624 -4.92726 -0.332547 -4.9274 49.3535 -2.29338 -0.332544 -2.29337 -14.2081 GPRESSAVG: 3802000 -45.2693 -3.17245 -0.753591 -4.81803 50.0159 -1.39412 -2.58305 -3.54568 -13.5933 TIMING: 3802000 CPU: 11047.8, 0.00294508/step Wall: 11047.8, 0.00294508/step, 0.980057 hours remaining, 208.277344 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: 3802000 756.8139 2090.6597 1947.1736 101.6881 -206250.5674 17949.5420 0.0000 0.0000 34387.0979 -149017.5922 300.3111 -183404.6902 -148924.1945 299.5517 43.6803 76.5946 558141.7175 -2.9057 -2.9489 PRESSURE: 3802200 185.302 -115.649 -37.3547 -115.649 123.716 -2.01456 -37.3557 -2.01734 33.639 GPRESSURE: 3802200 252.008 -42.4954 -62.3767 -135.934 96.2658 -56.7918 10.694 -7.64579 76.8953 PRESSAVG: 3802200 -14.8239 42.4648 5.63548 42.4647 -27.6343 -39.7765 5.63543 -39.7765 20.1396 GPRESSAVG: 3802200 -15.4234 41.5837 5.79215 41.7466 -27.4029 -39.3216 8.45027 -40.1775 20.0291 TIMING: 3802200 CPU: 11048.4, 0.00292015/step Wall: 11048.4, 0.00292015/step, 0.971599 hours remaining, 208.277344 MB of memory in use. ENERGY: 3802200 780.3267 2068.1922 1918.3158 122.8687 -205986.5084 17978.8864 0.0000 0.0000 34135.3662 -148982.5525 298.1126 -183117.9186 -148881.9434 299.5398 114.2191 141.7231 557795.8981 -7.4396 -7.5991 PRESSURE: 3802400 30.4737 31.3563 151.926 31.3563 109.233 -96.5023 151.926 -96.5006 6.04282 GPRESSURE: 3802400 71.5392 23.5818 137.829 10.3133 178.772 -128.434 185.481 -121.703 -2.14991 PRESSAVG: 3802400 80.1826 -24.6438 -5.48739 -24.6437 -16.2787 -45.1237 -5.48739 -45.1237 21.8383 GPRESSAVG: 3802400 81.3097 -25.9547 -6.04887 -25.017 -16.711 -47.2784 -6.48107 -44.5839 21.577 TIMING: 3802400 CPU: 11049, 0.00291654/step Wall: 11049, 0.00291654/step, 0.970235 hours remaining, 208.277344 MB of memory in use. ENERGY: 3802400 734.1511 2096.9218 1927.7859 102.6953 -205686.5340 17787.2025 0.0000 0.0000 34203.6168 -148834.1607 298.7087 -183037.7774 -148742.8139 299.7472 48.5832 82.7203 559051.5660 28.5807 28.7252 PRESSURE: 3802600 -57.135 100.763 169.691 100.762 -44.5423 22.9003 169.691 22.9008 201.702 GPRESSURE: 3802600 -25.565 21.5039 213.509 252.477 22.7707 89.9019 195.836 26.6997 217.03 PRESSAVG: 3802600 -35.3418 6.34578 49.0492 6.34577 39.5541 24.3008 49.0493 24.3008 9.97781 GPRESSAVG: 3802600 -35.78 7.32949 46.616 7.00918 39.2889 26.1847 49.5997 24.6286 10.6424 TIMING: 3802600 CPU: 11049.6, 0.00289787/step Wall: 11049.6, 0.00289787/step, 0.963864 hours remaining, 208.277344 MB of memory in use. ENERGY: 3802600 726.7516 2161.7785 1946.2797 110.7418 -206109.3069 17794.3984 0.0000 0.0000 34324.3865 -149044.9704 299.7634 -183369.3569 -148949.8674 300.3017 33.3416 71.4120 557511.9486 4.7300 4.7171 PRESSURE: 3802800 -150.352 -41.1684 -102.92 -41.1684 -265.167 43.7416 -102.919 43.7407 -73.8458 GPRESSURE: 3802800 -128.741 -73.7381 -89.6661 -19.8386 -216.728 1.58481 -122.642 89.8736 -35.5009 PRESSAVG: 3802800 24.4135 0.103731 25.8375 0.103733 -44.3199 3.11525 25.8375 3.11525 5.70129 GPRESSAVG: 3802800 23.4748 -1.08253 27.3277 -0.164083 -44.9857 3.78277 27.36 4.30247 7.68898 TIMING: 3802800 CPU: 11050.1, 0.00290638/step Wall: 11050.1, 0.00290638/step, 0.966532 hours remaining, 208.277344 MB of memory in use. ENERGY: 3802800 768.9663 2143.7064 1951.4244 98.3434 -205796.7028 17490.7928 0.0000 0.0000 34314.5084 -149028.9611 299.6771 -183343.4695 -148937.3611 299.4070 -163.1216 -126.9902 557192.6151 -4.7350 -4.6073 PRESSURE: 3803000 -142.586 -31.3421 -61.0348 -31.3419 -212.689 200.211 -61.0356 200.211 -100.245 GPRESSURE: 3803000 -96.8956 30.6851 -43.427 -36.5367 -160.895 196.147 -40.6616 185.869 -90.6899 PRESSAVG: 3803000 -10.2813 8.08808 -35.2349 8.08807 52.5646 38.4139 -35.2348 38.414 -33.6678 GPRESSAVG: 3803000 -9.26494 10.0977 -32.8503 8.372 52.8163 36.4907 -36.829 36.5559 -35.2597 TIMING: 3803000 CPU: 11050.7, 0.00288237/step Wall: 11050.7, 0.00288237/step, 0.958389 hours remaining, 208.277344 MB of memory in use. ENERGY: 3803000 753.0464 2137.5429 1959.3313 108.7505 -205912.5668 17628.5595 0.0000 0.0000 34324.2560 -149001.0802 299.7623 -183325.3362 -148905.0763 299.6037 -151.8399 -116.1602 558435.4912 2.8718 2.7639 PRESSURE: 3803200 -78.6127 78.304 7.5111 78.3053 -111.439 -115.026 7.51134 -115.026 42.1774 GPRESSURE: 3803200 -17.0423 56.4658 51.9526 59.0388 -104.262 -86.3474 -53.6166 -104.01 72.2093 PRESSAVG: 3803200 -27.6726 18.9491 27.3139 18.9491 1.87353 13.0835 27.314 13.0834 -2.84362 GPRESSAVG: 3803200 -28.6376 18.081 24.0834 18.3727 2.84829 12.4226 26.7168 15.3517 -2.68817 TIMING: 3803200 CPU: 11051.3, 0.00290332/step Wall: 11051.3, 0.00290332/step, 0.965192 hours remaining, 208.277344 MB of memory in use. ENERGY: 3803200 736.5691 2114.4670 1961.4689 106.6816 -206063.0584 17612.1800 0.0000 0.0000 34544.2600 -148987.4318 301.6836 -183531.6918 -148897.1985 299.6024 -49.2914 -16.3650 559514.4134 -9.5476 -9.4925 PRESSURE: 3803400 36.4339 -27.5442 74.1266 -27.5432 77.4239 -164.033 74.127 -164.034 -172.155 GPRESSURE: 3803400 28.9152 -2.28174 105.693 -66.5633 123.926 -223.725 49.6838 -121.092 -119.986 PRESSAVG: 3803400 27.2924 1.46058 30.4566 1.46056 -20.5451 -27.3442 30.4567 -27.3443 5.5012 GPRESSAVG: 3803400 27.4919 2.81684 33.6967 0.798502 -21.2359 -27.3378 29.4199 -29.054 5.70289 TIMING: 3803400 CPU: 11051.9, 0.00290605/step Wall: 11051.9, 0.00290605/step, 0.965939 hours remaining, 208.277344 MB of memory in use. ENERGY: 3803400 711.1835 2133.6205 1963.2482 106.0443 -206364.3958 17821.5788 0.0000 0.0000 34389.1441 -149239.5763 300.3289 -183628.7204 -149140.9802 299.1555 -19.4323 10.9518 559917.0948 4.0828 3.9863 PRESSURE: 3803600 182.814 88.2244 -140.841 88.2232 -136.358 -17.4251 -140.841 -17.4255 68.9702 GPRESSURE: 3803600 204.749 28.1543 -84.8537 44.6339 -95.1347 -18.7667 -145.425 -58.2633 99.8065 PRESSAVG: 3803600 8.08202 13.8418 4.48636 13.8418 16.301 25.6503 4.48632 25.6505 16.2608 GPRESSAVG: 3803600 6.85745 10.8943 2.9246 15.3297 16.839 27.3727 4.24914 23.5652 17.2872 TIMING: 3803600 CPU: 11052.5, 0.00289929/step Wall: 11052.5, 0.00289929/step, 0.963532 hours remaining, 208.277344 MB of memory in use. ENERGY: 3803600 721.4779 2102.5506 1966.4185 114.6360 -206033.9258 17846.2529 0.0000 0.0000 34149.4447 -149133.1452 298.2356 -183282.5899 -149038.8996 299.3096 38.4751 69.8070 558436.3508 13.5479 13.6612 PRESSURE: 3803800 -158.569 97.9683 101.77 97.9679 -297.753 23.3843 101.77 23.3848 -220.511 GPRESSURE: 3803800 -185.013 108.185 45.7494 175.73 -257.395 100.278 195.134 -33.0511 -136.168 PRESSAVG: 3803800 -16.7944 21.3938 -23.3511 21.3938 46.637 -16.164 -23.3511 -16.164 -55.9207 GPRESSAVG: 3803800 -16.5714 23.8014 -23.8122 22.6308 47.6466 -15.9317 -21.9937 -15.3127 -56.2684 TIMING: 3803800 CPU: 11053, 0.00290539/step Wall: 11053, 0.00290539/step, 0.965397 hours remaining, 208.277344 MB of memory in use. ENERGY: 3803800 740.1646 2046.5100 1964.9102 114.0684 -205700.8177 17351.0146 0.0000 0.0000 34319.6244 -149164.5256 299.7218 -183484.1500 -149063.9761 299.4681 -225.6111 -192.8586 559418.1039 -8.6927 -8.3977 PRESSURE: 3804000 22.0197 -53.8201 -62.0771 -53.8203 -20.2521 -132.869 -62.0762 -132.867 -57.1118 GPRESSURE: 3804000 8.71276 -44.4801 -104.689 -32.5202 -5.31114 -145.657 26.0275 -155.957 34.3033 PRESSAVG: 3804000 -37.4396 62.9152 1.66148 62.9152 -37.7037 13.7989 1.66152 13.799 33.853 GPRESSAVG: 3804000 -36.6878 63.2404 2.98579 61.0066 -38.722 11.0992 2.39076 14.8629 34.6541 TIMING: 3804000 CPU: 11053.6, 0.00290728/step Wall: 11053.6, 0.00290728/step, 0.965864 hours remaining, 208.277344 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: 3804000 768.5027 2074.5583 1955.3050 113.2939 -206234.8294 17819.0271 0.0000 0.0000 34274.5094 -149229.6330 299.3278 -183504.1423 -149136.9908 299.7464 -18.4481 12.5683 558254.1283 -13.7634 -13.5852 PRESSURE: 3804200 99.8004 -122.518 -33.6763 -122.518 -72.3878 218.255 -33.6764 218.256 -129.155 GPRESSURE: 3804200 163.609 -101.481 -53.8162 -98.0314 -47.252 141.109 -12.1726 242.123 -100.156 PRESSAVG: 3804200 -4.00759 -38.9087 2.76332 -38.9086 52.1788 35.5428 2.76328 35.5428 -7.95419 GPRESSAVG: 3804200 -2.82101 -38.0427 2.94288 -39.559 51.4182 36.6347 0.0368184 35.0891 -8.80702 TIMING: 3804200 CPU: 11054.2, 0.00289881/step Wall: 11054.2, 0.00289881/step, 0.962889 hours remaining, 208.277344 MB of memory in use. ENERGY: 3804200 748.6912 2113.5568 1949.2030 103.7548 -206257.0180 17832.9623 0.0000 0.0000 34386.6833 -149122.1667 300.3075 -183508.8499 -149023.3377 298.9786 -33.9141 5.4002 557790.6014 13.4057 13.2634 LDB: ============= START OF LOAD BALANCING ============== 11057.7 LDB: ============== END OF LOAD BALANCING =============== 11057.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11057.7 LDB: ============= START OF LOAD BALANCING ============== 11058 LDB: Largest compute 4848 load 0.028137 is 23.9% of average load 0.117875 LDB: Average compute 0.001728 is 1.5% of average load 0.117875 LDB: TIME 11058 LOAD: AVG 0.117875 MAX 0.181493 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.09 MB LDB: TIME 11058 LOAD: AVG 0.117875 MAX 0.181493 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: TIME 11058 LOAD: AVG 0.117875 MAX 0.181493 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.09 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11058 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11058 PRESSURE: 3804400 -93.707 40.8237 80.9902 40.824 -221.731 -119.409 80.9894 -119.407 -243.583 GPRESSURE: 3804400 -32.6112 67.8066 74.3799 35.8216 -219.763 -166.087 42.6054 -71.3934 -216.979 PRESSAVG: 3804400 41.269 -37.8715 -12.002 -37.8715 -11.1493 -1.67488 -12.002 -1.6749 0.972763 GPRESSAVG: 3804400 40.6713 -40.0146 -13.85 -36.6966 -11.0548 -0.311938 -8.14334 -1.05824 0.618072 TIMING: 3804400 CPU: 11054.8, 0.00296393/step Wall: 11054.8, 0.00296393/step, 0.984353 hours remaining, 207.617188 MB of memory in use. ENERGY: 3804400 744.4341 2132.2266 1963.6656 108.9344 -205864.4436 17587.6884 0.0000 0.0000 34119.1652 -149208.3294 297.9712 -183327.4945 -149106.3771 299.9735 -186.3405 -156.4510 559016.6501 10.3642 10.0782 PRESSURE: 3804600 -259.952 -87.0702 65.289 -87.0713 -178.917 9.60403 65.2884 9.60441 -238.43 GPRESSURE: 3804600 -265.964 -116.036 67.9452 -1.69729 -108.265 27.7181 118.715 -6.35497 -195.814 PRESSAVG: 3804600 17.5504 5.42546 27.0628 5.4254 -36.8046 61.3227 27.0629 61.3227 4.3696 GPRESSAVG: 3804600 17.5963 8.09617 28.4093 3.06431 -36.5985 61.8977 24.0907 60.6387 4.72085 TIMING: 3804600 CPU: 11055.4, 0.00291574/step Wall: 11055.4, 0.00291574/step, 0.968189 hours remaining, 207.687500 MB of memory in use. ENERGY: 3804600 777.2032 2091.6633 1998.2891 103.2621 -205792.7767 17486.2253 0.0000 0.0000 34216.5794 -149119.5543 298.8219 -183336.1337 -149020.0603 299.1460 -225.7663 -190.0145 558594.1430 -4.9616 -4.7605 PRESSURE: 3804800 -237.88 -28.6636 69.8714 -28.6652 -236.991 -155.627 69.8718 -155.625 -36.9235 GPRESSURE: 3804800 -224.798 4.98736 65.8169 -27.5742 -168.945 -151.029 98.0926 -130.555 -10.4925 PRESSAVG: 3804800 -44.1548 -10.7062 27.6358 -10.7061 -26.4507 -33.0773 27.6359 -33.0772 66.6753 GPRESSAVG: 3804800 -46.2593 -10.3659 27.1421 -10.146 -25.8658 -32.4723 28.9213 -32.4396 67.753 TIMING: 3804800 CPU: 11056, 0.00291851/step Wall: 11056, 0.00291851/step, 0.968944 hours remaining, 207.687500 MB of memory in use. ENERGY: 3804800 742.4391 2115.9067 1978.4643 98.6861 -205969.0670 17667.8880 0.0000 0.0000 34300.7502 -149064.9325 299.5570 -183365.6827 -148965.1205 299.4276 -170.5981 -134.7450 558964.6976 -1.3101 -1.4574 PRESSURE: 3805000 -179.137 -4.51734 -63.2604 -4.51825 50.9474 -59.6616 -63.2605 -59.6611 93.3462 GPRESSURE: 3805000 -129.268 -77.5772 -107.974 30.6933 76.9922 -78.0877 -72.8221 27.5316 111.472 PRESSAVG: 3805000 -24.3478 -13.5773 33.5167 -13.5774 -2.29829 1.87829 33.5167 1.87829 30.2149 GPRESSAVG: 3805000 -21.8656 -15.4928 33.8821 -12.4376 -1.71035 1.29707 33.3604 2.60156 28.0365 TIMING: 3805000 CPU: 11056.5, 0.00290303/step Wall: 11056.5, 0.00290303/step, 0.963644 hours remaining, 207.687500 MB of memory in use. ENERGY: 3805000 744.6215 2065.0366 1954.6480 114.1043 -205917.2329 17757.5394 0.0000 0.0000 34190.1317 -149091.1515 298.5909 -183281.2832 -148993.2591 299.9393 -11.6146 19.7321 558049.4487 1.1896 1.4869 PRESSURE: 3805200 86.34 -223.364 -62.4539 -223.363 165.675 -59.8009 -62.455 -59.8002 68.8983 GPRESSURE: 3805200 172.225 -227.765 -73.768 -244.873 144.153 -114.465 22.0538 -173.663 96.0468 PRESSAVG: 3805200 48.3845 -42.0237 3.72991 -42.0236 -11.1085 -19.2336 3.72988 -19.2335 -39.1878 GPRESSAVG: 3805200 48.5353 -41.1775 2.32945 -40.0525 -12.1745 -22.0534 2.52939 -18.3381 -38.4589 TIMING: 3805200 CPU: 11057.1, 0.00291216/step Wall: 11057.1, 0.00291216/step, 0.966515 hours remaining, 207.687500 MB of memory in use. ENERGY: 3805200 683.8198 2079.3948 1962.0024 101.3060 -206049.0789 17799.7558 0.0000 0.0000 34257.7747 -149165.0256 299.1817 -183422.8003 -149064.6906 299.1556 106.9712 137.4751 558037.9162 -0.6373 -0.6994 PRESSURE: 3805400 194.593 183.79 -118.084 183.792 97.3895 25.3695 -118.084 25.3704 -71.109 GPRESSURE: 3805400 226.971 195.814 -179.027 166.894 117.004 40.951 -69.1115 15.7087 -31.8715 PRESSAVG: 3805400 8.83306 -58.5327 23.4013 -58.5327 -34.8331 13.6317 23.4014 13.6318 16.2635 GPRESSAVG: 3805400 8.82352 -56.853 25.9518 -60.4109 -33.5957 15.3382 24.7131 13.6335 15.2672 TIMING: 3805400 CPU: 11057.7, 0.00290379/step Wall: 11057.7, 0.00290379/step, 0.963573 hours remaining, 207.687500 MB of memory in use. ENERGY: 3805400 718.6690 2090.6752 1954.6879 112.1417 -206267.2961 17902.9930 0.0000 0.0000 34082.0012 -149406.1280 297.6466 -183488.1293 -149308.8860 298.6298 73.6245 104.0345 556334.7186 -3.2455 -3.1683 PRESSURE: 3805600 21.3249 297.019 -127.686 297.018 56.8159 -194.493 -127.685 -194.492 66.9035 GPRESSURE: 3805600 62.4164 404.05 -76.5596 229.45 61.5971 -214.367 -155.098 -122.777 105.607 PRESSAVG: 3805600 24.6219 85.9769 -56.0618 85.9768 -2.4857 9.22737 -56.0618 9.22728 -16.9421 GPRESSAVG: 3805600 24.114 83.7018 -57.0848 86.1916 -3.07146 10.0549 -54.4848 8.11617 -15.9211 TIMING: 3805600 CPU: 11058.3, 0.00292117/step Wall: 11058.3, 0.00292117/step, 0.969179 hours remaining, 207.687500 MB of memory in use. ENERGY: 3805600 738.7126 2102.2658 1969.4721 116.6784 -206096.4092 17839.7493 0.0000 0.0000 34138.4963 -149191.0345 298.1400 -183329.5308 -149094.9347 298.9639 48.3481 76.5401 557402.0677 1.7314 1.7072 PRESSURE: 3805800 20.3523 22.1857 3.81231 22.1868 -94.3534 19.9911 3.81083 19.9913 -385.964 GPRESSURE: 3805800 62.0134 58.28 47.3852 -35.4586 -34.0827 -9.85284 53.2381 61.0195 -393.152 PRESSAVG: 3805800 10.5604 -17.7146 -6.43926 -17.7146 0.0586076 -42.4588 -6.43934 -42.4588 -36.8477 GPRESSAVG: 3805800 12.861 -17.4668 -2.8799 -17.9243 -0.700284 -43.1207 -8.81175 -43.1905 -37.812 TIMING: 3805800 CPU: 11058.9, 0.00289306/step Wall: 11058.9, 0.00289306/step, 0.959691 hours remaining, 207.687500 MB of memory in use. ENERGY: 3805800 715.7660 2065.9961 1942.1858 115.9376 -206102.1333 17609.8842 0.0000 0.0000 34405.2920 -149247.0716 300.4700 -183652.3636 -149152.2511 299.2939 -153.3217 -121.7404 558769.5570 -8.7429 -8.5504 PRESSURE: 3806000 226.807 -11.0871 134.583 -11.0874 -7.28968 155.976 134.583 155.977 -196.336 GPRESSURE: 3806000 311.657 -4.47335 164.374 -53.6464 25.1659 156.815 91.5407 95.1535 -208.927 PRESSAVG: 3806000 23.6725 -6.32756 2.74215 -6.32754 -28.4974 -17.576 2.74216 -17.576 -16.3336 GPRESSAVG: 3806000 23.1915 -5.63087 -3.1472 -5.44983 -28.1504 -16.6276 5.01002 -14.4229 -15.463 TIMING: 3806000 CPU: 11059.4, 0.00290302/step Wall: 11059.4, 0.00290302/step, 0.962834 hours remaining, 207.687500 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: 3806000 734.7668 2076.5587 1956.1028 107.1898 -206279.2566 17980.5572 0.0000 0.0000 34095.3877 -149328.6934 297.7635 -183424.0811 -149227.5018 299.4200 7.7270 42.6320 558793.4485 -7.0528 -6.8073 PRESSURE: 3806200 72.952 153.522 22.7839 153.521 -72.1895 104.204 22.7851 104.204 -126.331 GPRESSURE: 3806200 136.756 78.1204 -99.3873 94.24 -72.0423 101.515 28.2737 63.3946 -91.2431 PRESSAVG: 3806200 -44.6299 -62.3628 62.8288 -62.3628 51.8769 47.6531 62.8288 47.6531 -14.7599 GPRESSAVG: 3806200 -44.8061 -62.6005 65.6894 -63.0498 51.6902 47.2247 62.77 46.3412 -14.2654 TIMING: 3806200 CPU: 11060, 0.00289156/step Wall: 11060, 0.00289156/step, 0.958872 hours remaining, 207.687500 MB of memory in use. ENERGY: 3806200 746.1378 2100.3368 1982.8773 109.1488 -206436.5584 17894.4074 0.0000 0.0000 34371.6513 -149231.9989 300.1762 -183603.6503 -149139.5743 299.4705 -41.8562 -8.8432 557552.6010 -2.5043 -2.4604 PRESSURE: 3806400 -58.1245 72.8659 165.056 72.8647 7.318 39.845 165.056 39.8445 -134.564 GPRESSURE: 3806400 -33.3942 35.0426 229.56 -3.57538 18.976 57.8427 85.199 14.4888 -69.4954 PRESSAVG: 3806400 0.14658 28.643 56.7629 28.6429 77.9673 73.642 56.7629 73.642 -79.9075 GPRESSAVG: 3806400 -0.631039 29.0615 58.0427 27.1592 77.46 73.4698 54.501 72.3885 -79.1887 TIMING: 3806400 CPU: 11060.6, 0.00289141/step Wall: 11060.6, 0.00289141/step, 0.958663 hours remaining, 207.687500 MB of memory in use. ENERGY: 3806400 758.3402 2066.9906 1960.1082 105.9406 -206366.0740 17777.5328 0.0000 0.0000 34417.6652 -149279.4964 300.5780 -183697.1616 -149182.4552 299.5853 -61.7900 -27.9712 557138.5605 -0.5979 -0.7866 PRESSURE: 3806600 -166.958 -45.4225 14.9895 -45.423 22.4699 -69.9606 14.9904 -69.9577 -95.0933 GPRESSURE: 3806600 -130.417 -11.5229 -37.4982 -90.22 62.1374 -95.8038 47.5584 -27.7084 -73.7438 PRESSAVG: 3806600 -29.601 -9.51642 47.5403 -9.51648 -7.99175 43.3441 47.5403 43.344 31.0495 GPRESSAVG: 3806600 -30.7553 -8.62599 45.904 -8.60011 -7.15639 42.2154 49.954 43.2184 30.8865 TIMING: 3806600 CPU: 11061.2, 0.00292215/step Wall: 11061.2, 0.00292215/step, 0.968693 hours remaining, 207.687500 MB of memory in use. ENERGY: 3806600 784.6360 2086.3477 1946.8892 106.1467 -206399.5039 17715.3513 0.0000 0.0000 34360.1730 -149399.9600 300.0759 -183760.1329 -149306.5474 299.0451 -79.8603 -47.3410 556872.4245 -2.1811 -2.3418 PRESSURE: 3806800 -13.5211 -22.0372 115.479 -22.0377 -179.193 92.6961 115.478 92.6971 -128.449 GPRESSURE: 3806800 32.5245 49.9889 31.6806 -52.6156 -157.05 62.9201 199.927 125.385 -84.6763 PRESSAVG: 3806800 -44.1487 0.133019 -23.2642 0.133029 4.42642 37.2508 -23.2642 37.2509 46.4041 GPRESSAVG: 3806800 -42.9708 1.65962 -24.1949 -0.274083 3.83084 38.2279 -24.091 38.4783 45.6178 TIMING: 3806800 CPU: 11061.8, 0.00290586/step Wall: 11061.8, 0.00290586/step, 0.963132 hours remaining, 207.687500 MB of memory in use. ENERGY: 3806800 735.1252 2061.0973 1962.3187 121.1544 -205874.4224 17605.8680 0.0000 0.0000 34064.3590 -149324.4997 297.4925 -183388.8587 -149219.7059 298.4050 -107.0544 -69.7339 557656.6555 2.2273 2.1593 PRESSURE: 3807000 -239.16 109.326 -18.6655 109.325 21.4347 -116.747 -18.6656 -116.747 52.123 GPRESSURE: 3807000 -183.177 83.1587 38.247 144.827 57.9038 -93.2049 -26.5801 -104.155 73.1779 PRESSAVG: 3807000 48.2351 26.6208 25.461 26.6209 -54.3936 -45.271 25.4611 -45.2711 24.4183 GPRESSAVG: 3807000 47.3191 25.9437 27.0228 26.4468 -54.8463 -47.0803 24.4786 -42.8699 25.3143 TIMING: 3807000 CPU: 11062.4, 0.00289631/step Wall: 11062.4, 0.00289631/step, 0.959805 hours remaining, 207.687500 MB of memory in use. ENERGY: 3807000 726.1301 2075.1514 1982.2919 128.0840 -206434.5379 17780.8611 0.0000 0.0000 34363.3535 -149378.6659 300.1037 -183742.0194 -149280.1353 299.1777 -55.2007 -17.3652 556408.1010 6.0866 5.9290 PRESSURE: 3807200 -250.423 -99.0112 99.5481 -99.0115 223.18 -67.9555 99.5478 -67.956 -127.249 GPRESSURE: 3807200 -239.103 -44.7155 -29.2639 -111.034 224.052 -98.244 108.529 -44.5844 -47.7529 PRESSAVG: 3807200 -48.5353 15.2045 -3.33652 15.2044 23.7471 23.5473 -3.3366 23.5473 29.0869 GPRESSAVG: 3807200 -47.3463 13.6828 -3.00421 16.637 23.1921 25.7058 -4.54482 20.4958 28.1488 TIMING: 3807200 CPU: 11062.9, 0.00288811/step Wall: 11062.9, 0.00288811/step, 0.956926 hours remaining, 207.687500 MB of memory in use. ENERGY: 3807200 773.6079 2060.9047 1995.7862 102.3301 -206511.1740 17833.5808 0.0000 0.0000 34258.6254 -149486.3389 299.1891 -183744.9643 -149384.2432 299.5902 -51.4976 -20.9345 555916.0874 1.4329 1.3315 PRESSURE: 3807400 253.27 5.48422 110.659 5.48329 -10.8985 -85.6863 110.659 -85.6857 8.02214 GPRESSURE: 3807400 281.428 -52.6549 167.705 58.0428 48.8381 -99.3301 64.9703 -32.8159 21.0087 PRESSAVG: 3807400 -17.8598 -28.9144 5.76742 -28.9145 7.99669 16.0282 5.76745 16.0282 -14.0103 GPRESSAVG: 3807400 -19.1239 -28.9076 4.54764 -28.8116 8.85241 16.0444 7.78307 18.2809 -13.6374 TIMING: 3807400 CPU: 11063.5, 0.00288477/step Wall: 11063.5, 0.00288477/step, 0.955661 hours remaining, 207.687500 MB of memory in use. ENERGY: 3807400 724.0318 2077.4683 1979.3225 108.8831 -206340.9781 17835.3374 0.0000 0.0000 34285.8378 -149330.0972 299.4267 -183615.9350 -149236.3333 299.1007 83.4646 117.0917 554702.4576 -7.9578 -7.9696 PRESSURE: 3807600 -99.6913 -91.4674 -0.895602 -91.4672 -173.113 -61.0396 -0.895808 -61.0404 173.73 GPRESSURE: 3807600 -98.8858 -10.7912 14.3523 6.86957 -99.9431 -43.2305 -43.4332 -34.9808 198.275 PRESSAVG: 3807600 11.6952 48.8357 0.452369 48.8356 12.3982 11.6249 0.452291 11.6248 -21.2045 GPRESSAVG: 3807600 11.6656 49.5625 0.133769 48.7383 12.1217 12.1314 1.13015 10.1877 -20.3216 TIMING: 3807600 CPU: 11064.1, 0.00289821/step Wall: 11064.1, 0.00289821/step, 0.95995 hours remaining, 207.687500 MB of memory in use. ENERGY: 3807600 734.5457 2130.3206 1970.8204 102.0767 -205676.2585 17494.1968 0.0000 0.0000 34049.8910 -149194.4073 297.3662 -183244.2983 -149100.0940 299.3075 -33.0247 -0.1845 557062.9949 0.9629 1.1552 PRESSURE: 3807800 111.647 209.167 167.67 209.168 -128.282 55.7832 167.67 55.7848 -223.075 GPRESSURE: 3807800 91.1954 219.914 204.689 213.455 -63.2821 64.7063 20.877 63.4683 -167.656 PRESSAVG: 3807800 92.2886 10.7524 -13.2241 10.7524 -78.3896 -39.9871 -13.2241 -39.9872 22.6275 GPRESSAVG: 3807800 92.3582 10.5423 -13.4065 11.0226 -77.3914 -42.4674 -11.669 -40.1657 21.9501 TIMING: 3807800 CPU: 11064.7, 0.00290272/step Wall: 11064.7, 0.00290272/step, 0.961284 hours remaining, 207.687500 MB of memory in use. ENERGY: 3807800 748.3563 2085.2231 1977.5732 130.7228 -205774.6065 17480.0448 0.0000 0.0000 34217.6530 -149135.0333 298.8313 -183352.6862 -149044.1174 299.1299 -79.9034 -46.5809 558125.3457 12.1755 12.3056 PRESSURE: 3808000 -114.018 76.059 -65.7548 76.0593 -49.0572 -171.008 -65.7545 -171.008 63.7729 GPRESSURE: 3808000 -26.5056 -50.4699 -26.0326 110.281 -71.9279 -205.514 -11.8073 -93.0093 74.7949 PRESSAVG: 3808000 -22.0177 15.8192 -2.13864 15.8192 -8.06728 -38.8338 -2.13858 -38.8339 -20.3568 GPRESSAVG: 3808000 -21.0898 13.744 -1.91633 14.1126 -9.43346 -37.2247 -3.81418 -37.3135 -20.6677 TIMING: 3808000 CPU: 11065.2, 0.00290869/step Wall: 11065.2, 0.00290869/step, 0.963101 hours remaining, 207.687500 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: 3808000 747.8841 2089.3643 1962.2752 100.7474 -205772.3998 17569.1561 0.0000 0.0000 34146.2724 -149156.7003 298.2079 -183302.9727 -149064.3685 299.3185 -33.1007 -7.8795 556117.7647 -16.8139 -17.0637 PRESSURE: 3808200 -17.0492 57.4838 -53.3981 57.4828 37.8233 -16.9263 -53.3979 -16.9253 -403.503 GPRESSURE: 3808200 23.6078 66.6885 -43.7264 56.4633 94.5679 -54.4726 27.1475 27.3406 -407.267 PRESSAVG: 3808200 52.2413 23.9505 25.7818 23.9505 -5.98426 -25.7398 25.7817 -25.7397 1.02436 GPRESSAVG: 3808200 51.2795 24.7317 27.6941 23.966 -5.15305 -26.168 25.0036 -26.7042 1.11909 TIMING: 3808200 CPU: 11065.8, 0.00288788/step Wall: 11065.8, 0.00288788/step, 0.956047 hours remaining, 207.687500 MB of memory in use. ENERGY: 3808200 763.0481 2106.3709 1976.3970 114.1382 -205777.6953 17602.9494 0.0000 0.0000 34088.9582 -149125.8336 297.7074 -183214.7917 -149028.6797 299.2259 -127.5763 -96.3638 556631.6023 15.7605 15.7485 LDB: ============= START OF LOAD BALANCING ============== 11069.3 LDB: ============== END OF LOAD BALANCING =============== 11069.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11069.3 LDB: ============= START OF LOAD BALANCING ============== 11069.6 LDB: Largest compute 4848 load 0.028061 is 23.8% of average load 0.117898 LDB: Average compute 0.001735 is 1.5% of average load 0.117898 LDB: TIME 11069.6 LOAD: AVG 0.117898 MAX 0.180555 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.098 MB LDB: TIME 11069.6 LOAD: AVG 0.117898 MAX 0.180555 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: TIME 11069.6 LOAD: AVG 0.117898 MAX 0.180555 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.301 MB LDB: ============== END OF LOAD BALANCING =============== 11069.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11069.6 PRESSURE: 3808400 157.985 -95.5416 10.9186 -95.5411 -50.3378 23.2203 10.9179 23.2202 23.251 GPRESSURE: 3808400 153.7 -125.218 37.898 -20.5478 -15.1488 52.4277 -29.5826 -45.4234 76.9878 PRESSAVG: 3808400 -40.5548 -58.6593 3.62647 -58.6595 66.9608 33.2622 3.62641 33.2621 -39.0063 GPRESSAVG: 3808400 -39.5758 -58.7236 2.37099 -57.584 65.6933 33.721 3.59267 33.0937 -38.6493 TIMING: 3808400 CPU: 11066.4, 0.00294714/step Wall: 11066.4, 0.00294714/step, 0.975503 hours remaining, 207.265625 MB of memory in use. ENERGY: 3808400 766.8489 2121.3626 1973.1459 109.6403 -206293.7858 17986.4738 0.0000 0.0000 34256.1573 -149080.1571 299.1675 -183336.3144 -148986.0710 299.6965 43.6328 71.8465 557044.7880 -4.2001 -4.1773 PRESSURE: 3808600 -124.278 2.23742 280.342 2.23677 -87.5655 38.2369 280.342 38.2367 93.838 GPRESSURE: 3808600 -76.1302 -6.26704 198.827 -25.7236 -36.2812 51.4022 194.789 56.4733 93.4863 PRESSAVG: 3808600 19.9155 43.9818 34.5242 43.9817 -54.7657 52.3709 34.5242 52.3709 -6.52123 GPRESSAVG: 3808600 19.7725 45.502 36.1605 42.6354 -53.6052 51.853 34.6648 53.1323 -6.79665 TIMING: 3808600 CPU: 11067, 0.00292623/step Wall: 11067, 0.00292623/step, 0.968421 hours remaining, 207.265625 MB of memory in use. ENERGY: 3808600 743.1316 2075.9647 1969.7951 113.6316 -206018.8483 17849.0340 0.0000 0.0000 34262.7897 -149004.5016 299.2255 -183267.2913 -148898.0773 299.7610 -39.3350 -6.3084 558737.2198 -13.7905 -13.5431 PRESSURE: 3808800 -154.356 183.736 -198.944 183.735 -301.922 -8.35125 -198.944 -8.3527 -227.167 GPRESSURE: 3808800 -42.5181 203.057 -191.329 224.236 -318.464 -18.2613 -125.07 13.7914 -218.608 PRESSAVG: 3808800 76.6525 -10.7566 2.68331 -10.7566 -37.8689 40.156 2.68333 40.156 -13.3117 GPRESSAVG: 3808800 77.1752 -12.9863 1.43307 -9.19732 -38.1701 38.7557 4.60912 40.4521 -13.8405 TIMING: 3808800 CPU: 11067.6, 0.00291883/step Wall: 11067.6, 0.00291883/step, 0.965809 hours remaining, 207.265625 MB of memory in use. ENERGY: 3808800 755.9058 2175.5925 1953.9310 119.4709 -205584.5798 17486.3089 0.0000 0.0000 34181.2810 -148912.0896 298.5136 -183093.3707 -148815.7557 299.7112 -227.8148 -193.1967 558298.8206 8.4906 8.3882 PRESSURE: 3809000 26.2746 136.955 83.0977 136.952 27.7534 103.157 83.0981 103.157 -78.5103 GPRESSURE: 3809000 1.52583 117.453 54.6843 116.084 77.533 92.5515 22.0897 160.322 -11.1713 PRESSAVG: 3809000 -12.2909 41.2886 8.58221 41.2886 -14.06 19.826 8.58212 19.826 50.8758 GPRESSAVG: 3809000 -12.8971 44.4397 9.19156 40.4114 -14.1407 20.5375 7.32427 18.647 51.4006 TIMING: 3809000 CPU: 11068.2, 0.00290533/step Wall: 11068.2, 0.00290533/step, 0.961181 hours remaining, 207.265625 MB of memory in use. ENERGY: 3809000 746.1020 2047.5764 1963.8548 119.6967 -206086.9948 17756.6149 0.0000 0.0000 34361.3536 -149091.7963 300.0862 -183453.1499 -148996.7291 299.5223 -8.1608 22.6292 556234.6665 8.1750 8.1209 PRESSURE: 3809200 -83.6419 -18.1498 -57.8651 -18.1499 -269.41 160.893 -57.8653 160.894 -24.4896 GPRESSURE: 3809200 -35.322 -46.1378 24.1714 39.8476 -240.326 187.623 -99.9584 132.557 -6.26728 PRESSAVG: 3809200 -10.9242 22.5469 -28.8169 22.5469 -32.8847 20.3908 -28.8168 20.3908 37.5738 GPRESSAVG: 3809200 -12.2363 21.0553 -28.6282 22.5966 -31.8695 21.4302 -30.4147 21.1208 38.0553 TIMING: 3809200 CPU: 11068.7, 0.00291079/step Wall: 11068.7, 0.00291079/step, 0.962826 hours remaining, 207.265625 MB of memory in use. ENERGY: 3809200 743.6416 2084.0503 1949.1278 106.8911 -205672.6262 17438.1223 0.0000 0.0000 34415.8746 -148934.9185 300.5624 -183350.7931 -148834.3286 299.6288 -125.8472 -93.9719 556476.3633 -2.0784 -2.0168 PRESSURE: 3809400 -43.4132 -23.4537 -0.277622 -23.4535 102.473 0.849402 -0.276752 0.848039 -88.8058 GPRESSURE: 3809400 -3.00217 -27.1955 14.721 -34.7234 139.175 -16.8965 20.6036 7.69783 -66.3144 PRESSAVG: 3809400 -12.3286 52.3154 32.6515 52.3154 -18.1204 15.2498 32.6515 15.2498 69.3997 GPRESSAVG: 3809400 -10.9262 51.9551 31.8303 51.5849 -19.3034 15.9939 34.0264 13.597 69.3745 TIMING: 3809400 CPU: 11069.3, 0.00290199/step Wall: 11069.3, 0.00290199/step, 0.959754 hours remaining, 207.265625 MB of memory in use. ENERGY: 3809400 758.0711 2049.7373 1970.1300 112.0654 -206029.6152 17820.7880 0.0000 0.0000 34558.4019 -148760.4215 301.8071 -183318.8234 -148655.5304 299.8888 -9.9155 23.2860 557763.4220 12.9835 13.0483 PRESSURE: 3809600 88.9908 -57.3896 -166.691 -57.3894 76.4453 19.2363 -166.692 19.2361 298.143 GPRESSURE: 3809600 121.794 -126.712 -125.599 -43.1981 77.3395 45.6218 -178.814 -47.7033 360.294 PRESSAVG: 3809600 -24.4792 23.1058 -70.4146 23.1057 53.4632 -10.583 -70.4147 -10.583 -14.2267 GPRESSAVG: 3809600 -25.5981 21.8596 -69.0756 26.9729 55.2743 -10.9958 -69.8023 -10.332 -14.4983 TIMING: 3809600 CPU: 11069.9, 0.00288293/step Wall: 11069.9, 0.00288293/step, 0.953289 hours remaining, 207.468750 MB of memory in use. ENERGY: 3809600 719.5182 2108.1626 1968.1341 107.2717 -206104.7842 18088.9672 0.0000 0.0000 34342.7046 -148770.0258 299.9234 -183112.7304 -148673.0231 300.8030 154.5262 186.4761 558016.6051 4.9191 5.0593 PRESSURE: 3809800 -206.042 33.7405 -105.32 33.7405 -70.5382 61.7155 -105.321 61.7165 -431.816 GPRESSURE: 3809800 -144.429 -13.5599 -54.9093 14.0924 -98.5512 -3.62376 -108.324 145.282 -356.559 PRESSAVG: 3809800 -117.803 -1.83467 -19.3367 -1.83469 103.646 2.71386 -19.3366 2.71388 -8.51169 GPRESSAVG: 3809800 -116.999 -2.22087 -17.1556 -3.97333 102.749 5.98942 -21.59 3.13597 -8.99369 TIMING: 3809800 CPU: 11070.5, 0.00289898/step Wall: 11070.5, 0.00289898/step, 0.958436 hours remaining, 207.468750 MB of memory in use. ENERGY: 3809800 725.9490 2073.4073 1974.3424 119.6614 -205937.7055 17631.0534 0.0000 0.0000 34300.1032 -149113.1888 299.5513 -183413.2920 -149014.5754 299.3922 -236.1320 -199.8462 558322.9291 -7.5562 -7.7476 PRESSURE: 3810000 -94.7199 19.9521 -60.4825 19.9528 -210.112 -180.129 -60.4807 -180.128 -339.132 GPRESSURE: 3810000 -60.0515 -27.1873 -107.551 44.7198 -191.28 -235.435 7.55059 -149.726 -305.396 PRESSAVG: 3810000 -22.1026 12.5045 -6.12056 12.5045 72.8262 -32.5046 -6.12062 -32.5048 -52.1392 GPRESSAVG: 3810000 -22.6778 12.448 -7.8922 11.6929 72.5792 -36.2763 -4.69352 -31.1636 -51.3263 TIMING: 3810000 CPU: 11071.1, 0.00290136/step Wall: 11071.1, 0.00290136/step, 0.959061 hours remaining, 207.468750 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: 3810000 735.4848 2088.3534 1953.7787 100.2906 -205723.3407 17397.7412 0.0000 0.0000 34281.8118 -149165.8802 299.3916 -183447.6920 -149067.4575 299.7144 -214.6548 -185.5757 559351.2736 -0.4718 -0.4750 PRESSURE: 3810200 -214.152 24.3759 -84.5553 24.3756 41.1978 140.747 -84.5537 140.747 -63.2058 GPRESSURE: 3810200 -157.937 3.83128 -174.109 79.1091 69.2076 189.116 -96.1093 49.391 -64.1283 PRESSAVG: 3810200 -58.5113 9.34689 -37.2673 9.34688 61.7786 -33.1621 -37.2672 -33.1621 -25.2975 GPRESSAVG: 3810200 -58.8625 9.22828 -38.1913 9.85604 61.1795 -33.9696 -37.4183 -34.2919 -24.6444 TIMING: 3810200 CPU: 11071.6, 0.00288485/step Wall: 11071.6, 0.00288485/step, 0.953444 hours remaining, 207.468750 MB of memory in use. ENERGY: 3810200 715.0455 2064.6487 1951.1816 102.8474 -206119.2495 17661.5808 0.0000 0.0000 34675.4052 -148948.5402 302.8289 -183623.9455 -148856.4212 300.1778 -78.7199 -50.9527 558116.6279 -7.3434 -7.4425 PRESSURE: 3810400 -88.7489 -83.4561 -89.7873 -83.4549 47.763 82.1057 -89.7875 82.1061 141.097 GPRESSURE: 3810400 -90.0447 -40.1566 16.5961 -94.5747 62.3577 71.5224 -107.128 86.8447 229.845 PRESSAVG: 3810400 -15.9158 13.6094 -34.2584 13.6095 27.8647 46.2109 -34.2585 46.2108 14.8761 GPRESSAVG: 3810400 -16.0536 14.5458 -32.2335 14.7688 29.0233 48.4272 -34.3124 46.2422 14.6236 TIMING: 3810400 CPU: 11072.2, 0.00289027/step Wall: 11072.2, 0.00289027/step, 0.955075 hours remaining, 207.468750 MB of memory in use. ENERGY: 3810400 715.6906 2107.7686 1944.9372 108.2083 -206091.2087 17723.3681 0.0000 0.0000 34422.7785 -149068.4575 300.6227 -183491.2360 -148969.1898 299.6111 33.3702 67.3861 556887.2844 8.9417 9.1978 PRESSURE: 3810600 97.0978 85.5001 -153.053 85.4995 45.4067 109.369 -153.052 109.372 -117.918 GPRESSURE: 3810600 105.616 49.0725 -200.624 127.692 113.964 101.865 -85.4582 23.1176 -94.4775 PRESSAVG: 3810600 33.1421 -8.69007 -18.7454 -8.69006 -28.9779 24.2441 -18.7455 24.2442 -53.62 GPRESSAVG: 3810600 34.1076 -7.06957 -20.3655 -11.9196 -29.482 23.3459 -18.6487 24.5708 -53.8105 TIMING: 3810600 CPU: 11072.8, 0.00287954/step Wall: 11072.8, 0.00287954/step, 0.951368 hours remaining, 207.468750 MB of memory in use. ENERGY: 3810600 738.9227 2083.2099 1984.7700 113.8942 -206049.8625 17796.6487 0.0000 0.0000 34477.4714 -148854.9456 301.1003 -183332.4170 -148765.6958 299.2908 8.1954 41.7008 557935.6631 -16.4853 -16.3950 PRESSURE: 3810800 -30.698 53.1938 124.716 53.1948 -208.572 -44.1607 124.717 -44.1602 79.4274 GPRESSURE: 3810800 9.83576 44.5575 94.2666 61.7177 -125.734 -67.498 89.0846 -139.449 58.5497 PRESSAVG: 3810800 32.2935 35.3635 -21.2873 35.3636 -25.0461 19.8201 -21.2872 19.8202 14.8113 GPRESSAVG: 3810800 31.1858 35.0624 -22.7684 37.0686 -23.6649 19.1744 -19.8409 20.0793 14.5671 TIMING: 3810800 CPU: 11073.4, 0.00289455/step Wall: 11073.4, 0.00289456/step, 0.956168 hours remaining, 207.468750 MB of memory in use. ENERGY: 3810800 719.1425 2080.2702 1989.4676 117.2856 -205811.9846 17643.3260 0.0000 0.0000 34301.6068 -148960.8858 299.5645 -183262.4926 -148862.1193 300.0766 -53.2808 -19.1163 557837.8225 7.3529 7.3627 PRESSURE: 3811000 60.055 79.2069 -90.6237 79.2075 -120.048 76.7702 -90.6237 76.7707 -141.576 GPRESSURE: 3811000 46.3538 73.0251 -48.5557 62.6164 -127.421 -16.4252 -89.6285 90.8162 -22.5735 PRESSAVG: 3811000 4.57821 42.3055 -9.88437 42.3056 -0.717675 26.0309 -9.88429 26.031 -2.96879 GPRESSAVG: 3811000 4.48429 42.7806 -7.17994 41.4755 -1.07499 25.1364 -11.1883 26.4686 -3.19638 TIMING: 3811000 CPU: 11074, 0.00295934/step Wall: 11074, 0.00295934/step, 0.977406 hours remaining, 207.468750 MB of memory in use. ENERGY: 3811000 718.9163 2071.1191 1959.9444 112.4548 -205938.9538 17799.5518 0.0000 0.0000 34311.7307 -148965.2366 299.6529 -183276.9673 -148862.6466 299.3709 -67.1896 -34.5469 558810.0708 0.2972 0.0710 PRESSURE: 3811200 40.4184 -21.5288 140.234 -21.5292 -397.246 29.9958 140.234 29.9966 -4.69347 GPRESSURE: 3811200 41.1818 54.2991 103.624 -34.751 -315.587 21.179 190.529 89.0744 18.1784 PRESSAVG: 3811200 -22.5468 21.3899 68.1855 21.3898 -0.33325 -3.20816 68.1856 -3.20822 8.18882 GPRESSAVG: 3811200 -20.9405 21.0185 64.4177 22.783 -1.45419 -1.55768 71.5797 -4.68485 7.89964 TIMING: 3811200 CPU: 11074.5, 0.00291979/step Wall: 11074.5, 0.00291979/step, 0.964179 hours remaining, 207.468750 MB of memory in use. ENERGY: 3811200 758.7848 2172.5515 1935.6963 97.7364 -205823.1789 17777.8381 0.0000 0.0000 34146.7630 -148933.8089 298.2122 -183080.5719 -148842.1399 298.6733 -120.5069 -85.4090 560390.1240 -4.8971 -4.8317 PRESSURE: 3811400 131.408 -24.1905 -81.9813 -24.1902 45.6765 -53.2662 -81.9806 -53.2652 -35.923 GPRESSURE: 3811400 171.715 -64.7875 -80.6857 5.83664 73.5345 -79.9997 -156.361 -71.5088 -10.8051 PRESSAVG: 3811400 -29.5537 -20.5748 -26.2424 -20.5747 -2.11203 24.1734 -26.2426 24.1734 21.3546 GPRESSAVG: 3811400 -30.5226 -21.2701 -22.8032 -21.2097 -1.91002 25.4263 -29.7821 24.6939 22.1867 TIMING: 3811400 CPU: 11075.1, 0.00293308/step Wall: 11075.1, 0.00293308/step, 0.968406 hours remaining, 207.468750 MB of memory in use. ENERGY: 3811400 741.2898 2113.6539 1941.0366 112.7856 -205799.6346 17833.0237 0.0000 0.0000 34393.4882 -148664.3567 300.3669 -183057.8450 -148569.8197 299.6016 47.0538 78.1483 559242.1294 -3.4371 -3.4153 PRESSURE: 3811600 135.021 -33.5354 -71.4706 -33.535 -108.234 -18.661 -71.4703 -18.66 -53.9 GPRESSURE: 3811600 139.361 3.02929 -54.458 -57.515 -77.5831 9.95486 -67.1895 -95.2748 2.28721 PRESSAVG: 3811600 -55.8578 29.4241 -16.662 29.4242 19.5542 57.076 -16.662 57.0759 28.9385 GPRESSAVG: 3811600 -56.2162 30.0484 -17.1905 26.748 20.3748 56.139 -16.2255 54.8495 28.2367 TIMING: 3811600 CPU: 11075.7, 0.00291526/step Wall: 11075.7, 0.00291526/step, 0.962358 hours remaining, 207.468750 MB of memory in use. ENERGY: 3811600 765.0359 2100.9754 1945.1382 101.5856 -206002.3839 17990.4815 0.0000 0.0000 34283.8697 -148815.2975 299.4096 -183099.1672 -148714.7466 300.3033 -9.0376 21.3549 559924.8246 -2.4550 -2.5349 PRESSURE: 3811800 -35.9541 111.044 124.669 111.045 245.706 -22.3655 124.67 -22.365 218.812 GPRESSURE: 3811800 -36.0088 40.0154 141.785 96.6095 307.613 1.7816 118.416 36.132 258.883 PRESSAVG: 3811800 -74.2931 28.7052 -50.9524 28.7053 19.1946 25.7642 -50.9523 25.7642 71.1946 GPRESSAVG: 3811800 -74.838 28.57 -50.9826 31.3358 19.6271 27.0503 -49.1946 26.4323 70.8751 TIMING: 3811800 CPU: 11076.3, 0.00293551/step Wall: 11076.3, 0.00293551/step, 0.968882 hours remaining, 207.468750 MB of memory in use. ENERGY: 3811800 725.7119 2129.2243 1956.4583 125.0392 -206223.3673 18099.0302 0.0000 0.0000 34425.5002 -148762.4033 300.6465 -183187.9035 -148665.9892 300.4025 142.8547 176.8290 556696.3765 5.3654 5.2214 PRESSURE: 3812000 -139.256 -120.256 141.555 -120.256 -149.644 76.5166 141.554 76.5187 141.371 GPRESSURE: 3812000 -53.1802 -100.384 149.974 -61.4381 -156.376 11.157 147.24 103.679 160.046 PRESSAVG: 3812000 -15.7621 -5.95025 4.11929 -5.95025 20.836 -5.18101 4.11935 -5.18097 42.3168 GPRESSAVG: 3812000 -15.1484 -5.56955 5.01104 -7.55701 19.1706 -6.12729 3.483 -3.35977 43.3672 TIMING: 3812000 CPU: 11076.9, 0.00291989/step Wall: 11076.9, 0.00291989/step, 0.963562 hours remaining, 207.468750 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: 3812000 731.6145 2081.5298 1945.9571 107.0318 -205913.4723 17782.9577 0.0000 0.0000 34453.8198 -148810.5614 300.8938 -183264.3813 -148710.1869 300.6089 -49.1762 -16.5037 559154.3220 15.7969 15.7965 PRESSURE: 3812200 -182.431 -4.91924 88.905 -4.91929 -143.704 178.137 88.9045 178.138 148.13 GPRESSURE: 3812200 -117.425 -49.4535 68.2558 20.2881 -164.995 225.97 46.169 147.004 199.931 PRESSAVG: 3812200 14.8688 19.7378 -1.84426 19.7378 -22.1938 -0.395949 -1.84433 -0.395832 34.478 GPRESSAVG: 3812200 14.625 18.0715 -1.65854 23.303 -22.0107 -2.21559 -2.82616 -0.319716 34.8683 TIMING: 3812200 CPU: 11077.5, 0.00290882/step Wall: 11077.5, 0.00290881/step, 0.959747 hours remaining, 207.468750 MB of memory in use. ENERGY: 3812200 771.4560 2117.6242 1950.1866 110.3826 -205748.5209 17752.0325 0.0000 0.0000 34180.5837 -148866.2552 298.5075 -183046.8389 -148768.7759 300.0116 -59.3349 -27.4966 559174.6780 9.0510 9.1609 LDB: ============= START OF LOAD BALANCING ============== 11080.9 LDB: ============== END OF LOAD BALANCING =============== 11080.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11080.9 LDB: ============= START OF LOAD BALANCING ============== 11081.2 LDB: Largest compute 4848 load 0.028856 is 24.5% of average load 0.117888 LDB: Average compute 0.001744 is 1.5% of average load 0.117888 LDB: TIME 11081.2 LOAD: AVG 0.117888 MAX 0.180155 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.316 MB LDB: TIME 11081.2 LOAD: AVG 0.117888 MAX 0.180155 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 11081.2 LOAD: AVG 0.117888 MAX 0.180155 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: ============== END OF LOAD BALANCING =============== 11081.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11081.2 PRESSURE: 3812400 -290.116 49.4963 -35.7599 49.4972 27.2682 45.1819 -35.7594 45.1814 -19.0103 GPRESSURE: 3812400 -230.079 -11.9365 -141.085 89.7252 68.231 87.5591 -0.813057 26.5926 -22.9668 PRESSAVG: 3812400 -37.3448 -4.52833 -18.0093 -4.52842 -22.5242 8.61429 -18.0093 8.61435 46.7753 GPRESSAVG: 3812400 -37.1462 -2.8701 -19.1667 -6.0034 -22.4444 9.10251 -15.9636 8.10033 46.7713 TIMING: 3812400 CPU: 11078.1, 0.00295655/step Wall: 11078.1, 0.00295655/step, 0.975334 hours remaining, 208.386719 MB of memory in use. ENERGY: 3812400 799.0582 2117.6128 1959.0389 100.6172 -206067.2082 17773.1726 0.0000 0.0000 34487.3216 -148830.3870 301.1864 -183317.7086 -148734.7196 300.0069 -93.9526 -61.6048 558713.1643 -4.3646 -4.2731 PRESSURE: 3812600 33.4027 76.2269 -113.207 76.2284 -50.8106 -61.2966 -113.207 -61.297 -148.632 GPRESSURE: 3812600 67.2116 30.0384 -153.592 54.1736 -53.3261 -12.3701 -77.1857 -188.097 -73.8136 PRESSAVG: 3812600 -16.779 55.9144 -8.17699 55.9145 23.0057 15.0448 -8.1771 15.0449 9.43534 GPRESSAVG: 3812600 -15.8067 54.8051 -8.62131 55.1588 23.1111 17.4659 -8.90876 13.8322 8.89941 TIMING: 3812600 CPU: 11078.6, 0.00292847/step Wall: 11078.6, 0.00292847/step, 0.965909 hours remaining, 208.386719 MB of memory in use. ENERGY: 3812600 736.3287 2104.2826 1943.7400 109.9870 -206152.8545 17784.1498 0.0000 0.0000 34347.0176 -149127.3487 299.9610 -183474.3663 -149024.4804 300.0736 -55.3467 -19.9760 559013.6523 5.2207 5.4013 PRESSURE: 3812800 -241.147 -93.0671 49.3641 -93.0666 123.218 26.2373 49.3646 26.2363 97.5123 GPRESSURE: 3812800 -178.754 2.29701 -64.4162 -25.0054 119.061 70.434 71.8302 13.7925 134.89 PRESSAVG: 3812800 -26.269 -37.8866 -8.39422 -37.8867 7.58973 -32.811 -8.39417 -32.8111 21.4468 GPRESSAVG: 3812800 -26.185 -37.6087 -7.75699 -35.6236 7.45437 -35.1755 -11.2444 -32.3415 21.3472 TIMING: 3812800 CPU: 11079.2, 0.00291704/step Wall: 11079.2, 0.00291704/step, 0.961975 hours remaining, 208.386719 MB of memory in use. ENERGY: 3812800 724.4501 2075.5978 1953.7387 105.5774 -206159.8292 17829.8625 0.0000 0.0000 34429.3357 -149041.2669 300.6800 -183470.6027 -148946.4141 299.0526 -6.8055 25.0655 558036.8298 0.9225 0.8722 PRESSURE: 3813000 42.3758 135.029 -201.297 135.029 34.4869 91.6118 -201.297 91.6125 -54.7921 GPRESSURE: 3813000 35.5356 99.6846 -154.496 176.99 74.8804 32.6133 -276.598 104.333 14.8531 PRESSAVG: 3813000 30.9785 45.5458 -61.8817 45.5458 -20.09 -33.1132 -61.8817 -33.1133 -10.6677 GPRESSAVG: 3813000 29.258 44.2392 -63.2622 45.6289 -19.7762 -33.7446 -59.7054 -34.191 -9.93379 TIMING: 3813000 CPU: 11079.8, 0.00290041/step Wall: 11079.8, 0.00290041/step, 0.956329 hours remaining, 208.386719 MB of memory in use. ENERGY: 3813000 746.3082 2108.3921 1974.3941 114.3308 -206172.6719 17747.4561 0.0000 0.0000 34272.3128 -149209.4779 299.3086 -183481.7906 -149114.6983 299.0204 7.3568 41.7564 557634.4107 0.0736 -0.1506 PRESSURE: 3813200 76.6633 -22.5028 -46.2689 -22.5026 -333.6 38.2823 -46.269 38.283 91.312 GPRESSURE: 3813200 79.1842 -53.8584 -57.1162 -52.5983 -241.334 -38.7439 55.058 84.2236 99.3816 PRESSAVG: 3813200 -23.2348 16.4668 -0.775317 16.4668 -28.0538 -18.994 -0.775318 -18.994 41.7131 GPRESSAVG: 3813200 -22.4728 16.5462 0.250423 14.1756 -28.0729 -18.1713 -0.474361 -17.9549 40.7381 TIMING: 3813200 CPU: 11080.4, 0.00289194/step Wall: 11080.4, 0.00289194/step, 0.953377 hours remaining, 208.386719 MB of memory in use. ENERGY: 3813200 743.4125 2084.4665 1938.2510 112.0967 -206084.6525 17648.3323 0.0000 0.0000 34415.5593 -149142.5341 300.5596 -183558.0934 -149044.7324 299.4333 -55.2081 -20.9229 558469.9527 -3.1918 -3.2692 PRESSURE: 3813400 -179.459 -62.1017 65.4581 -62.1021 -53.5968 55.3842 65.4594 55.3852 -466.66 GPRESSURE: 3813400 -162.826 -53.1719 103.622 4.48874 -16.823 -51.7187 39.6561 143.789 -421.237 PRESSAVG: 3813400 35.8902 17.6003 -7.26903 17.6003 -6.25261 29.756 -7.26902 29.756 18.3966 GPRESSAVG: 3813400 35.9296 18.2111 -7.24748 18.2902 -6.31306 31.5229 -8.1534 28.6108 18.506 TIMING: 3813400 CPU: 11081, 0.00290126/step Wall: 11081, 0.00290126/step, 0.956288 hours remaining, 208.386719 MB of memory in use. ENERGY: 3813400 753.3405 2087.4435 1948.9277 111.2893 -206044.5653 17587.9400 0.0000 0.0000 34301.2515 -149254.3728 299.5614 -183555.6242 -149161.8688 299.0469 -233.2386 -200.2951 558562.9152 16.0114 16.0409 PRESSURE: 3813600 -214.872 79.1115 -56.6446 79.113 -48.5681 -5.55513 -56.6447 -5.55578 58.6022 GPRESSURE: 3813600 -190.849 64.6901 -45.9187 70.5515 -5.20214 63.7919 -22.7603 -68.3011 98.7713 PRESSAVG: 3813600 -16.3296 -16.9172 -9.79019 -16.9172 56.7508 47.137 -9.79017 47.1371 -60.9933 GPRESSAVG: 3813600 -15.9847 -16.945 -9.11984 -18.3929 56.3741 47.0986 -10.0456 47.7011 -60.4487 TIMING: 3813600 CPU: 11081.6, 0.00292115/step Wall: 11081.6, 0.00292115/step, 0.96268 hours remaining, 208.386719 MB of memory in use. ENERGY: 3813600 728.8101 2041.3918 1954.9686 114.8507 -205803.1169 17561.0924 0.0000 0.0000 34064.0103 -149337.9931 297.4895 -183402.0034 -149241.6241 298.4850 -68.2792 -32.4266 558999.7215 -6.8574 -6.6864 PRESSURE: 3813800 -205.806 -84.1922 106.348 -84.1908 -83.5034 134.515 106.349 134.513 49.2122 GPRESSURE: 3813800 -132.988 -62.1296 128.331 -61.0265 -58.5943 80.4251 140.605 174.398 58.4076 PRESSAVG: 3813800 46.048 -16.9473 16.5645 -16.9472 -7.59915 20.655 16.5644 20.6549 -19.2467 GPRESSAVG: 3813800 46.6945 -17.8543 17.7229 -15.7739 -7.48936 20.3995 15.7832 20.1343 -20.0404 TIMING: 3813800 CPU: 11082.1, 0.00293082/step Wall: 11082.1, 0.00293082/step, 0.965704 hours remaining, 208.386719 MB of memory in use. ENERGY: 3813800 702.3834 2133.3305 1933.3093 102.2580 -206100.4683 17714.1373 0.0000 0.0000 34288.6166 -149226.4333 299.4510 -183515.0499 -149128.1264 298.0716 -80.0322 -44.3914 558330.2181 6.4007 6.3883 PRESSURE: 3814000 66.5537 -35.1407 -51.0999 -35.1415 -68.9887 88.062 -51.0993 88.0629 22.9329 GPRESSURE: 3814000 82.0135 -42.0443 -30.1268 -20.5569 -22.3802 144.195 -71.6854 99.2197 55.5624 PRESSAVG: 3814000 -16.5794 26.5312 61.4558 26.5313 43.0643 13.7925 61.4556 13.7926 -10.3012 GPRESSAVG: 3814000 -17.6074 24.6088 57.3922 26.1511 43.1391 14.1681 62.0275 14.2461 -9.85253 TIMING: 3814000 CPU: 11082.7, 0.00292603/step Wall: 11082.7, 0.00292603/step, 0.963963 hours remaining, 208.386719 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: 3814000 771.5305 2132.4713 1934.8556 120.1053 -206425.4443 18008.8297 0.0000 0.0000 34013.8345 -149443.8173 297.0513 -183457.6518 -149347.2788 298.6518 6.8326 38.3986 558323.0987 5.3945 5.2264 PRESSURE: 3814200 207.883 -26.2445 -4.21585 -26.2459 -69.9387 5.73244 -4.216 5.73393 131.411 GPRESSURE: 3814200 214.964 -92.0364 83.5195 -30.5954 50.2484 -37.3237 -15.4784 -32.0721 102.447 PRESSAVG: 3814200 9.19195 9.09302 24.6802 9.09299 -17.4946 -15.667 24.6802 -15.6668 18.5081 GPRESSAVG: 3814200 8.92215 11.2324 27.2835 9.68211 -17.3102 -13.7172 23.4503 -18.9571 18.3049 TIMING: 3814200 CPU: 11083.3, 0.00290265/step Wall: 11083.3, 0.00290265/step, 0.956101 hours remaining, 208.386719 MB of memory in use. ENERGY: 3814200 719.4422 2173.1097 1952.6808 119.6149 -206246.5631 17848.6232 0.0000 0.0000 33993.2134 -149439.8790 296.8712 -183433.0924 -149349.3138 298.0553 89.7852 122.5529 557440.2615 3.4018 3.3056 PRESSURE: 3814400 45.5201 -19.7445 237.398 -19.7448 41.7022 155.597 237.399 155.595 40.0995 GPRESSURE: 3814400 71.3635 -18.0754 247.183 44.0347 78.5489 70.9658 182.149 228.629 74.3585 PRESSAVG: 3814400 -6.07027 -20.6125 29.7838 -20.6125 -36.2313 79.6013 29.7837 79.6014 6.48047 GPRESSAVG: 3814400 -6.17076 -19.6399 30.3263 -21.7594 -36.3015 78.1325 31.1208 81.9239 6.34155 TIMING: 3814400 CPU: 11083.9, 0.00289573/step Wall: 11083.9, 0.00289573/step, 0.953661 hours remaining, 208.386719 MB of memory in use. ENERGY: 3814400 742.5120 2135.6540 1964.9288 121.3316 -206470.4474 17867.5659 0.0000 0.0000 34193.7090 -149444.7460 298.6222 -183638.4551 -149344.4662 298.3251 42.4406 74.7569 557020.4491 -11.9404 -12.0436 PRESSURE: 3814600 120.066 -67.0482 31.4694 -67.0471 -24.911 -41.8964 31.4699 -41.8969 218.555 GPRESSURE: 3814600 197.182 -11.2014 -69.5972 -44.9303 26.4855 23.3485 84.3422 -30.1036 192.806 PRESSAVG: 3814600 -1.93777 32.2557 50.3213 32.2557 -71.4805 37.9889 50.3213 37.989 59.5561 GPRESSAVG: 3814600 -0.921238 32.3784 47.5124 33.4329 -71.3928 36.5356 50.4994 36.1685 58.528 TIMING: 3814600 CPU: 11084.5, 0.00288593/step Wall: 11084.5, 0.00288593/step, 0.950273 hours remaining, 208.386719 MB of memory in use. ENERGY: 3814600 716.4132 2102.7874 1967.2003 118.1188 -206521.4812 17980.9495 0.0000 0.0000 34253.5588 -149382.4532 299.1448 -183636.0120 -149299.2806 298.4802 104.5697 138.8246 558064.0214 -4.6207 -4.5954 PRESSURE: 3814800 44.8913 72.5099 90.8343 72.5094 112.852 101.152 90.8334 101.153 9.53814 GPRESSURE: 3814800 32.218 114.2 52.0042 51.5186 183.124 82.6324 133.483 71.9014 44.9829 PRESSAVG: 3814800 -4.72173 -0.19576 25.4607 -0.195787 2.98826 8.73694 25.4608 8.73707 48.8191 GPRESSAVG: 3814800 -5.77117 -0.955849 26.3617 -1.90855 1.84167 7.96672 26.5049 11.193 50.7893 TIMING: 3814800 CPU: 11085, 0.0029037/step Wall: 11085, 0.0029037/step, 0.955964 hours remaining, 208.386719 MB of memory in use. ENERGY: 3814800 768.8079 2130.9706 1951.8658 108.6781 -206496.7913 17944.0290 0.0000 0.0000 34273.1081 -149319.3318 299.3156 -183592.4400 -149214.6099 298.4535 55.7604 86.7750 556653.1812 15.6952 15.6199 PRESSURE: 3815000 400.909 18.7734 94.3624 18.7728 -184.339 149.149 94.3609 149.15 215.151 GPRESSURE: 3815000 414.167 8.39539 30.18 7.51923 -70.1755 110.245 125.774 44.3569 189.539 PRESSAVG: 3815000 63.1007 20.2097 18.4007 20.2097 -38.444 -23.2092 18.4007 -23.2092 37.6488 GPRESSAVG: 3815000 62.9514 21.7663 18.458 20.8157 -37.1282 -23.6301 17.0476 -24.1563 36.6234 TIMING: 3815000 CPU: 11085.6, 0.00289134/step Wall: 11085.6, 0.00289134/step, 0.951732 hours remaining, 208.386719 MB of memory in use. ENERGY: 3815000 747.5650 2104.9844 1945.0845 116.3517 -206552.1747 17929.6286 0.0000 0.0000 34476.8236 -149231.7370 301.0947 -183708.5606 -149134.1289 299.1756 143.9068 177.8433 557668.6429 20.7685 20.8156 PRESSURE: 3815200 -46.8713 -8.61778 14.7282 -8.61816 25.076 43.3238 14.7274 43.3241 195.489 GPRESSURE: 3815200 1.53931 32.2975 -86.7899 -41.9327 68.5488 69.9188 81.3486 68.664 201.335 PRESSAVG: 3815200 26.6903 -23.6032 -15.1396 -23.6032 -46.0678 -13.9226 -15.1395 -13.9226 51.609 GPRESSAVG: 3815200 26.6598 -25.7225 -14.7669 -22.7026 -46.7022 -13.4586 -14.1714 -13.0791 51.8853 TIMING: 3815200 CPU: 11086.2, 0.00289794/step Wall: 11086.2, 0.00289794/step, 0.953745 hours remaining, 208.386719 MB of memory in use. ENERGY: 3815200 743.0311 2138.2202 1957.6056 106.7274 -206205.6114 17880.8801 0.0000 0.0000 34030.8135 -149348.3335 297.1996 -183379.1470 -149254.1852 298.6700 57.8980 90.4744 557978.7809 10.7438 10.6143 PRESSURE: 3815400 -77.8944 -0.746485 -53.46 -0.746608 -270.59 -17.86 -53.4616 -17.8607 70.2825 GPRESSURE: 3815400 -44.5884 41.6512 -49.1188 -36.8572 -228.851 -35.389 -71.3043 -28.8388 71.6276 PRESSAVG: 3815400 -19.9419 9.88668 -4.89434 9.88666 3.24014 -20.885 -4.89431 -20.8851 52.0292 GPRESSAVG: 3815400 -20.8787 9.6499 -4.19083 10.9821 2.91 -20.184 -6.55128 -21.7734 53.036 TIMING: 3815400 CPU: 11086.8, 0.0028843/step Wall: 11086.8, 0.0028843/step, 0.949093 hours remaining, 208.386719 MB of memory in use. ENERGY: 3815400 715.7403 2131.7668 1964.7467 125.3198 -206449.8834 17804.1893 0.0000 0.0000 34210.0509 -149498.0697 298.7649 -183708.1206 -149404.3302 298.4013 -92.7340 -67.2705 557435.8752 11.7758 11.6891 PRESSURE: 3815600 84.6585 -94.3313 11.0011 -94.3313 -178.447 -136.321 11.0023 -136.32 87.5048 GPRESSURE: 3815600 130.271 -152.456 38.8906 -64.4622 -150.164 -132.206 33.9515 -49.1003 108.34 PRESSAVG: 3815600 85.4463 11.3282 32.8062 11.3282 -59.2307 -26.6195 32.8062 -26.6195 -1.28517 GPRESSAVG: 3815600 86.2401 11.7888 32.8826 11.5968 -57.9718 -26.2691 33.072 -24.7764 -3.3632 TIMING: 3815600 CPU: 11087.4, 0.00290248/step Wall: 11087.4, 0.00290248/step, 0.954916 hours remaining, 208.386719 MB of memory in use. ENERGY: 3815600 702.6757 2105.2465 1956.1393 113.6218 -206457.1416 17852.4992 0.0000 0.0000 34287.8109 -149439.1482 299.4440 -183726.9591 -149343.3778 298.0899 -2.0947 29.4822 557886.3504 8.3101 8.3017 PRESSURE: 3815800 -28.4334 -52.8073 -56.065 -52.808 -214.476 -138.088 -56.0656 -138.087 -136.63 GPRESSURE: 3815800 6.03397 -73.8538 -131.81 -149.133 -225.624 -53.551 -47.5943 -161.715 -64.9052 PRESSAVG: 3815800 -11.7432 -19.5471 34.2363 -19.5471 59.3405 1.84567 34.2364 1.84561 -6.17207 GPRESSAVG: 3815800 -12.2741 -17.8904 33.8273 -21.111 59.7391 1.4743 36.9622 1.65142 -6.37207 TIMING: 3815800 CPU: 11087.9, 0.00289542/step Wall: 11087.9, 0.00289542/step, 0.952432 hours remaining, 208.386719 MB of memory in use. ENERGY: 3815800 766.7287 2098.2809 1975.7561 114.2455 -206061.4557 17612.1525 0.0000 0.0000 34125.6581 -149368.6341 298.0279 -183494.2922 -149277.2379 298.9598 -126.5132 -94.8318 558034.8739 13.8084 13.6976 PRESSURE: 3816000 -170.069 -36.8427 -53.4926 -36.8431 -146.329 -85.6346 -53.4933 -85.6346 -98.2486 GPRESSURE: 3816000 -139.232 103.755 20.8897 -80.8361 -110.033 -97.2829 -115.037 -120.07 -62.0613 PRESSAVG: 3816000 9.82734 -17.183 -10.3343 -17.1831 -21.3458 -49.7016 -10.3344 -49.7018 0.685995 GPRESSAVG: 3816000 10.286 -16.9895 -10.2951 -16.1403 -21.2594 -49.6873 -12.4808 -50.2826 -0.0835121 TIMING: 3816000 CPU: 11088.5, 0.00289543/step Wall: 11088.5, 0.00289543/step, 0.952274 hours remaining, 208.386719 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: 3816000 769.1759 2116.9011 1964.8157 112.0776 -206461.8361 17762.1993 0.0000 0.0000 34293.7586 -149442.9081 299.4959 -183736.6667 -149349.7052 298.4702 -138.2154 -103.7752 556887.2884 -3.6108 -3.6857 PRESSURE: 3816200 -101.141 160.225 28.6989 160.224 -17.3999 61.9196 28.6987 61.9195 -40.9549 GPRESSURE: 3816200 -62.8529 175.998 83.4858 94.6664 15.4715 31.8585 -22.3921 66.2829 -20.2276 PRESSAVG: 3816200 28.7068 29.7985 -36.3914 29.7984 -56.2001 21.177 -36.3914 21.1771 64.0484 GPRESSAVG: 3816200 28.1793 28.7688 -36.7425 28.0849 -56.5935 22.6294 -37.1503 20.4737 64.8125 TIMING: 3816200 CPU: 11089.1, 0.00290546/step Wall: 11089.1, 0.00290546/step, 0.955411 hours remaining, 208.386719 MB of memory in use. ENERGY: 3816200 733.3465 2182.6035 1955.9242 117.2443 -206392.8557 17848.0177 0.0000 0.0000 33963.3057 -149592.4138 296.6100 -183555.7195 -149503.2440 298.7997 -53.1654 -22.5363 555490.0231 12.1850 12.1327 LDB: ============= START OF LOAD BALANCING ============== 11092.6 LDB: ============== END OF LOAD BALANCING =============== 11092.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11092.6 LDB: ============= START OF LOAD BALANCING ============== 11092.9 LDB: Largest compute 4848 load 0.028579 is 24.3% of average load 0.117740 LDB: Average compute 0.001740 is 1.5% of average load 0.117740 LDB: TIME 11092.9 LOAD: AVG 0.11774 MAX 0.179777 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.926 MB LDB: TIME 11092.9 LOAD: AVG 0.11774 MAX 0.179777 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 11092.9 LOAD: AVG 0.11774 MAX 0.179777 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11092.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11092.9 PRESSURE: 3816400 -221.248 8.86915 -42.2295 8.86962 -131.672 60.1535 -42.2286 60.1522 -50.0828 GPRESSURE: 3816400 -171.515 92.7507 -68.8194 6.27167 -102.53 119.119 -53.7673 44.2761 -26.16 PRESSAVG: 3816400 10.5884 28.6392 0.430834 28.6391 -53.3604 -2.1988 0.43084 -2.19881 58.0882 GPRESSAVG: 3816400 10.7435 29.0986 -0.00748008 31.2095 -53.9952 -2.52354 0.785576 -2.43509 58.6204 TIMING: 3816400 CPU: 11089.7, 0.00297624/step Wall: 11089.7, 0.00297624/step, 0.978522 hours remaining, 208.183594 MB of memory in use. ENERGY: 3816400 731.9210 2157.4759 1950.1951 103.9989 -205977.9727 17553.0110 0.0000 0.0000 33976.3395 -149505.0312 296.7238 -183481.3707 -149412.7653 298.4723 -134.3343 -100.0684 556944.9857 5.1054 5.1229 PRESSURE: 3816600 -86.1554 147.003 86.7392 147.003 61.9877 2.98125 86.739 2.98106 -69.009 GPRESSURE: 3816600 -50.3278 95.813 231.462 96.1919 79.4237 3.89477 11.1205 -86.654 -22.7184 PRESSAVG: 3816600 58.6767 13.0552 -26.5927 13.0553 -51.4485 -13.8032 -26.5927 -13.8032 -26.6049 GPRESSAVG: 3816600 57.5185 14.0756 -25.682 12.0334 -50.9704 -14.549 -26.7285 -13.882 -25.6728 TIMING: 3816600 CPU: 11090.3, 0.00290643/step Wall: 11090.3, 0.00290643/step, 0.955408 hours remaining, 208.386719 MB of memory in use. ENERGY: 3816600 730.9661 2110.0777 1957.8858 117.5655 -206618.5448 17900.3426 0.0000 0.0000 34275.6784 -149526.0287 299.3380 -183801.7071 -149429.1934 298.2505 -31.0589 2.1258 557497.1844 -6.4589 -6.3749 PRESSURE: 3816800 -119.09 12.9466 -116.233 12.9456 -154.04 35.9089 -116.233 35.9091 -162.262 GPRESSURE: 3816800 -132.024 28.6901 -119.652 2.56414 -46.2716 -1.67732 -136.068 4.83861 -168.376 PRESSAVG: 3816800 32.9956 32.8524 19.5103 32.8524 13.8491 -30.6584 19.5102 -30.6583 -60.3698 GPRESSAVG: 3816800 33.3504 31.371 19.7991 33.5016 14.8434 -31.8563 20.0955 -30.1446 -61.9562 TIMING: 3816800 CPU: 11090.9, 0.00291222/step Wall: 11090.9, 0.00291222/step, 0.957148 hours remaining, 208.386719 MB of memory in use. ENERGY: 3816800 740.4821 2104.7432 1940.2145 109.3146 -206095.9270 17711.0208 0.0000 0.0000 34144.7463 -149345.4056 298.1946 -183490.1519 -149252.1682 298.9330 -145.1305 -115.5572 558114.2856 -4.5084 -4.5874 PRESSURE: 3817000 114.04 -6.29928 13.8229 -6.29888 175.425 64.7879 13.8222 64.7878 222.151 GPRESSURE: 3817000 166.119 -24.9952 124.006 -46.8923 216.993 18.1828 -6.49947 130.036 213.475 PRESSAVG: 3817000 -16.5691 34.7957 -12.18 34.7958 0.718517 16.3786 -12.1799 16.3787 -20.7751 GPRESSAVG: 3817000 -15.7249 35.3651 -13.6188 32.6908 -0.618262 18.0682 -10.0785 15.7256 -20.3002 TIMING: 3817000 CPU: 11091.4, 0.00290878/step Wall: 11091.4, 0.00290878/step, 0.955859 hours remaining, 208.386719 MB of memory in use. ENERGY: 3817000 732.4857 2141.2277 1950.4008 115.3817 -206647.2756 18204.1652 0.0000 0.0000 34122.2414 -149381.3730 297.9980 -183503.6144 -149281.3093 298.4437 170.5387 198.8624 557636.6327 -12.2086 -12.2145 PRESSURE: 3817200 -131.449 214.893 -159.966 214.893 -54.4503 179.158 -159.966 179.157 177.655 GPRESSURE: 3817200 -156.033 214.421 -94.0313 160.251 29.61 178.449 -126.989 184.832 215.182 PRESSAVG: 3817200 15.7217 17.9251 48.4258 17.9251 54.6342 11.6658 48.4258 11.6659 -72.051 GPRESSAVG: 3817200 14.6798 18.0667 48.2414 18.1448 55.3732 11.4728 49.2942 11.5264 -71.4048 TIMING: 3817200 CPU: 11092, 0.00290516/step Wall: 11092, 0.00290516/step, 0.954507 hours remaining, 208.386719 MB of memory in use. ENERGY: 3817200 748.1156 2082.9817 1953.9547 102.6243 -206509.7784 17899.1566 0.0000 0.0000 34198.9871 -149523.9583 298.6683 -183722.9455 -149422.9312 298.2668 -2.7480 29.5864 557689.3766 -0.5650 -0.4506 PRESSURE: 3817400 -303.31 207.835 68.5473 207.834 31.5885 30.051 68.5469 30.0491 -107.786 GPRESSURE: 3817400 -266.649 262.089 42.3912 144.229 52.8387 35.5568 1.95324 61.3686 -75.8529 PRESSAVG: 3817400 -42.9047 25.3019 63.8952 25.302 28.7151 -4.66041 63.8952 -4.6605 -1.59969 GPRESSAVG: 3817400 -41.9792 23.5901 65.2632 27.5868 28.5681 -5.23764 60.5855 -2.06875 -2.55125 TIMING: 3817400 CPU: 11092.6, 0.00288254/step Wall: 11092.6, 0.00288254/step, 0.946915 hours remaining, 208.386719 MB of memory in use. ENERGY: 3817400 765.5848 2104.9690 1972.6049 115.6555 -205856.1431 17577.0591 0.0000 0.0000 33991.4078 -149328.8620 296.8554 -183320.2698 -149231.9883 298.1574 -126.5025 -96.5544 558600.1177 -5.2631 -5.3208 PRESSURE: 3817600 86.2926 93.7155 25.9169 93.7157 -358.101 42.3864 25.918 42.3869 184.302 GPRESSURE: 3817600 87.4289 105.875 -45.6817 48.5557 -286.107 17.0772 -9.75234 20.449 204.391 PRESSAVG: 3817600 62.1574 79.2621 55.3709 79.262 -21.9597 -44.7364 55.3709 -44.7363 -97.7262 GPRESSAVG: 3817600 61.8321 81.6478 55.0185 77.4561 -21.017 -43.0881 55.9789 -48.2561 -98.2227 TIMING: 3817600 CPU: 11093.2, 0.00292506/step Wall: 11093.2, 0.00292506/step, 0.960718 hours remaining, 208.386719 MB of memory in use. ENERGY: 3817600 748.6746 2070.9040 1957.7386 119.3461 -206632.0628 18096.9082 0.0000 0.0000 34318.7820 -149319.7093 299.7145 -183638.4913 -149219.7397 299.1586 -29.1686 1.9043 559504.6162 -19.1762 -19.1359 PRESSURE: 3817800 60.031 -274.864 -85.1656 -274.864 329.535 17.8128 -85.1653 17.8123 366.285 GPRESSURE: 3817800 100.129 -311.913 -138.41 -211.885 347.205 25.0108 -26.536 7.88731 402.9 PRESSAVG: 3817800 -19.0154 16.8806 -18.9768 16.8806 7.20226 36.6108 -18.9768 36.6109 39.3026 GPRESSAVG: 3817800 -19.2022 13.9799 -19.2798 17.5478 6.05087 35.4878 -21.1315 38.4497 40.0899 TIMING: 3817800 CPU: 11093.8, 0.00290548/step Wall: 11093.8, 0.00290548/step, 0.954127 hours remaining, 208.386719 MB of memory in use. ENERGY: 3817800 727.8046 2064.0879 1973.8844 112.8047 -206935.5747 18364.9622 0.0000 0.0000 34338.5226 -149353.5084 299.8869 -183692.0310 -149251.0848 299.1542 251.9503 283.4114 557442.9565 9.1632 8.9795 PRESSURE: 3818000 -313.254 -149.258 -34.5699 -149.257 99.2581 -89.6681 -34.5686 -89.669 -71.6926 GPRESSURE: 3818000 -279.626 -90.9621 -57.934 -181.972 127.124 -81.805 -29.4515 -136.702 -54.0147 PRESSAVG: 3818000 -74.0617 -16.2017 -62.5595 -16.2016 -7.38107 28.8194 -62.5595 28.8194 36.0344 GPRESSAVG: 3818000 -73.6797 -14.6331 -61.0254 -16.1122 -7.12559 28.4901 -61.1443 28.1207 35.5431 TIMING: 3818000 CPU: 11094.3, 0.00293546/step Wall: 11094.3, 0.00293546/step, 0.96381 hours remaining, 208.386719 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: 3818000 762.4036 2110.6069 1933.9145 108.8829 -206309.7597 17832.1265 0.0000 0.0000 34038.9149 -149522.9103 297.2703 -183561.8252 -149425.0769 298.7597 -95.2296 -68.8387 557415.0913 -15.1361 -15.0874 PRESSURE: 3818200 -85.6833 73.0095 20.2245 73.0088 188.064 -80.6788 20.2241 -80.6795 -19.2198 GPRESSURE: 3818200 -3.64652 104.209 62.5176 144.591 185.235 -27.9791 70.1797 -94.4174 7.90156 PRESSAVG: 3818200 -14.4454 -38.5339 33.6987 -38.534 11.0952 58.3743 33.6986 58.3743 -1.19602 GPRESSAVG: 3818200 -14.6681 -39.6643 33.3972 -38.3036 11.0565 59.2466 31.8178 57.1526 -0.739656 TIMING: 3818200 CPU: 11094.9, 0.00292865/step Wall: 11094.9, 0.00292865/step, 0.96141 hours remaining, 208.386719 MB of memory in use. ENERGY: 3818200 751.2575 2049.3602 1953.6634 105.9327 -206761.6617 17920.8276 0.0000 0.0000 34277.9229 -149702.6975 299.3576 -183980.6204 -149604.6852 297.6893 27.7203 63.1632 556793.3980 -1.5154 -1.4504 PRESSURE: 3818400 -116.377 -163.341 151.728 -163.341 -232.649 15.7739 151.728 15.7735 96.9297 GPRESSURE: 3818400 -65.7459 -93.8357 147.322 -207.9 -181.347 -6.26973 194.605 74.994 111.684 PRESSAVG: 3818400 -21.2753 29.1543 -18.1153 29.1543 13.8319 -20.6177 -18.1152 -20.6178 0.542393 GPRESSAVG: 3818400 -20.5438 32.2558 -17.691 27.508 13.7222 -20.9108 -15.4262 -17.2726 0.378017 TIMING: 3818400 CPU: 11095.5, 0.00292958/step Wall: 11095.5, 0.00292958/step, 0.961555 hours remaining, 208.386719 MB of memory in use. ENERGY: 3818400 741.4441 2075.2253 1980.9683 122.3115 -206293.0744 17776.8308 0.0000 0.0000 34123.2670 -149473.0274 298.0070 -183596.2945 -149377.8004 298.5610 -84.0320 -45.1362 558871.3339 -2.3003 -2.1479 PRESSURE: 3818600 -158.196 -56.8017 -9.27888 -56.8014 -120.51 26.6852 -9.27885 26.6854 14.4267 GPRESSURE: 3818600 -122.729 24.3492 54.1961 -93.1673 -66.5716 104.568 -27.2445 3.26258 31.3481 PRESSAVG: 3818600 -48.1841 -20.8199 -17.4329 -20.8199 -0.392073 15.362 -17.4328 15.3619 80.609 GPRESSAVG: 3818600 -48.6878 -19.9328 -17.7454 -21.7811 -0.259986 14.3353 -21.0676 14.1801 80.3306 TIMING: 3818600 CPU: 11096.1, 0.00293606/step Wall: 11096.1, 0.00293606/step, 0.963518 hours remaining, 208.386719 MB of memory in use. ENERGY: 3818600 741.9127 2115.2773 1970.5467 104.1934 -206611.2743 17847.2751 0.0000 0.0000 34312.9084 -149519.1607 299.6632 -183832.0691 -149422.0668 298.6162 -88.0930 -52.6508 556614.7218 10.6776 10.4609 PRESSURE: 3818800 -280.486 74.3461 -173.978 74.3451 -290.072 94.3334 -173.978 94.3345 -226.283 GPRESSURE: 3818800 -223.594 124.483 -275.02 80.1786 -275.888 61.8046 -139.148 13.3942 -201.506 PRESSAVG: 3818800 -26.9981 2.98415 -97.1972 2.98426 -22.3569 -31.3635 -97.1973 -31.3634 77.0936 GPRESSAVG: 3818800 -26.6247 2.24039 -98.8731 6.76878 -22.9096 -30.7934 -94.9977 -32.2605 76.7758 TIMING: 3818800 CPU: 11096.7, 0.00291012/step Wall: 11096.7, 0.00291012/step, 0.954842 hours remaining, 208.386719 MB of memory in use. ENERGY: 3818800 796.7705 2089.0180 1985.8970 114.8883 -206701.6506 17948.1229 0.0000 0.0000 34385.4813 -149381.4726 300.2970 -183766.9539 -149274.9692 298.1276 -265.6135 -233.6629 558226.1132 9.2462 9.0805 PRESSURE: 3819000 46.8076 110.402 -7.16984 110.401 146.298 -26.1422 -7.16954 -26.1415 100.797 GPRESSURE: 3819000 101.132 126.259 10.1779 114.931 213.079 77.0036 22.8841 -23.5822 77.1106 PRESSAVG: 3819000 -27.3124 -18.7206 -20.7031 -18.7206 -6.44 19.6489 -20.7031 19.6489 44.6407 GPRESSAVG: 3819000 -27.8004 -21.1761 -19.3753 -19.8931 -5.60943 18.5984 -22.6775 21.202 43.9513 TIMING: 3819000 CPU: 11097.3, 0.00289864/step Wall: 11097.3, 0.00289864/step, 0.950916 hours remaining, 208.386719 MB of memory in use. ENERGY: 3819000 761.0500 2113.9301 1949.6858 114.0861 -206363.6669 17945.2449 0.0000 0.0000 34079.5819 -149400.0882 297.6255 -183479.6700 -149308.4796 298.9269 97.9676 130.4405 557011.5354 3.6294 3.5138 PRESSURE: 3819200 79.6997 63.8317 -109.652 63.8318 45.3141 66.5033 -109.652 66.5033 -67.0507 GPRESSURE: 3819200 119 31.0354 -99.2064 57.6852 83.5283 108.132 -181.608 -3.74371 -42.99 PRESSAVG: 3819200 14.2385 -54.4384 -69.9997 -54.4384 11.5013 25.9289 -69.9997 25.9289 2.21132 GPRESSAVG: 3819200 13.8008 -55.4235 -71.5205 -52.8474 11.019 26.3252 -66.7906 26.0595 2.95214 TIMING: 3819200 CPU: 11097.9, 0.00290692/step Wall: 11097.9, 0.00290692/step, 0.953469 hours remaining, 208.386719 MB of memory in use. ENERGY: 3819200 735.8169 2078.0745 1936.0185 115.0436 -206375.7096 18070.4445 0.0000 0.0000 34067.7890 -149372.5225 297.5225 -183440.3115 -149285.0218 298.6582 19.3210 53.1795 558347.3885 9.3170 9.2573 PRESSURE: 3819400 -161.677 -244.276 246.766 -244.275 -84.2835 39.7369 246.768 39.7368 51.6499 GPRESSURE: 3819400 -102.767 -232.082 306.933 -205.895 -16.6501 33.5755 181.815 -27.7394 30.0356 PRESSAVG: 3819400 40.2037 -56.4681 -22.3239 -56.468 -82.0237 -20.4246 -22.3238 -20.4246 40.5009 GPRESSAVG: 3819400 40.7338 -54.1349 -21.9812 -59.0654 -81.8176 -20.1254 -23.9885 -21.8697 39.7964 TIMING: 3819400 CPU: 11098.4, 0.00289809/step Wall: 11098.4, 0.00289809/step, 0.950411 hours remaining, 208.386719 MB of memory in use. ENERGY: 3819400 713.2573 2098.6621 1967.6238 121.8117 -205958.9065 17648.2464 0.0000 0.0000 34269.9283 -149139.3769 299.2878 -183409.3052 -149044.7213 299.0026 -64.7703 -29.7937 557574.6700 -0.4397 -0.4291 PRESSURE: 3819600 -53.6341 -126.428 152.046 -126.428 -30.2431 -13.0718 152.046 -13.0727 40.5877 GPRESSURE: 3819600 -25.2573 -114.134 229.948 -218.456 -32.7404 -93.3298 109.574 66.3199 125.08 PRESSAVG: 3819600 -17.1562 -37.1717 3.32814 -37.1716 30.6108 1.79221 3.32809 1.79212 50.4329 GPRESSAVG: 3819600 -17.2039 -35.736 4.96124 -37.6186 30.0691 3.08925 4.01148 2.49664 50.8964 TIMING: 3819600 CPU: 11099, 0.00291406/step Wall: 11099, 0.00291406/step, 0.955488 hours remaining, 208.386719 MB of memory in use. ENERGY: 3819600 774.2934 2114.6883 1966.8627 114.8467 -206260.3248 17691.6516 0.0000 0.0000 34413.6630 -149184.3190 300.5431 -183597.9820 -149091.4868 299.8630 -14.4299 22.3608 556972.7006 21.2958 21.2538 PRESSURE: 3819800 -220.913 -131.056 174.94 -131.058 -144.5 13.4569 174.941 13.4583 -192.031 GPRESSURE: 3819800 -186.933 -31.4648 124.212 -116.055 -89.2529 -5.15236 186.256 14.942 -174.923 PRESSAVG: 3819800 -39.4326 -43.2746 13.3297 -43.2745 -49.647 25.7842 13.3297 25.7841 60.8292 GPRESSAVG: 3819800 -39.0472 -43.217 12.3841 -42.9355 -49.5181 25.4955 14.8637 25.9102 60.6313 TIMING: 3819800 CPU: 11099.6, 0.00291617/step Wall: 11099.6, 0.00291617/step, 0.956018 hours remaining, 208.386719 MB of memory in use. ENERGY: 3819800 778.5231 2149.5440 1937.4203 116.3891 -206054.0743 17600.5808 0.0000 0.0000 34073.5785 -149398.0385 297.5730 -183471.6169 -149304.2656 298.8068 -185.8145 -150.3696 556067.6820 -9.4168 -9.3113 PRESSURE: 3820000 59.3514 35.3654 -54.4789 35.3659 -1.90121 15.8665 -54.4798 15.8655 150.226 GPRESSURE: 3820000 70.3632 -26.9993 -53.0772 12.3978 26.2322 55.6782 1.6031 -5.3498 198.523 PRESSAVG: 3820000 -11.2647 5.88447 20.3997 5.88442 -48.9933 32.1484 20.3996 32.1482 58.4459 GPRESSAVG: 3820000 -11.0324 4.38421 21.3169 8.32119 -49.8004 32.7093 18.5194 32.1676 59.1076 TIMING: 3820000 CPU: 11100.2, 0.00291058/step Wall: 11100.2, 0.00291058/step, 0.954025 hours remaining, 208.386719 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: 3820000 721.2915 2136.1086 1954.9530 107.4849 -206603.6608 17980.5821 0.0000 0.0000 34172.7488 -149530.4920 298.4391 -183703.2407 -149428.1510 298.7481 69.2253 98.3728 557060.5626 -0.6041 -0.5751 PRESSURE: 3820200 210.649 -7.15303 65.4441 -7.15392 -126.324 -23.582 65.4448 -23.5819 95.9737 GPRESSURE: 3820200 289.855 -45.5054 0.807492 -63.5096 -102.755 1.45444 11.0129 -18.8715 96.5391 PRESSAVG: 3820200 17.7216 -44.7336 -24.1236 -44.7336 -42.8411 -3.74408 -24.1236 -3.74406 -46.2022 GPRESSAVG: 3820200 17.7334 -44.9447 -24.0822 -45.9527 -41.7883 -3.35105 -20.567 -3.38646 -46.7127 TIMING: 3820200 CPU: 11100.8, 0.00292575/step Wall: 11100.8, 0.00292575/step, 0.958833 hours remaining, 208.386719 MB of memory in use. ENERGY: 3820200 698.9447 2174.9525 1943.4656 115.2037 -206170.6585 17722.7303 0.0000 0.0000 34244.8627 -149270.4991 299.0689 -183515.3618 -149174.2454 298.0703 60.0996 94.5465 557214.4709 -23.7739 -23.5892 LDB: ============= START OF LOAD BALANCING ============== 11104.2 LDB: ============== END OF LOAD BALANCING =============== 11104.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11104.2 LDB: ============= START OF LOAD BALANCING ============== 11104.5 LDB: Largest compute 4848 load 0.027531 is 23.4% of average load 0.117794 LDB: Average compute 0.001736 is 1.5% of average load 0.117794 LDB: TIME 11104.5 LOAD: AVG 0.117794 MAX 0.180801 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 11104.5 LOAD: AVG 0.117794 MAX 0.180801 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: TIME 11104.5 LOAD: AVG 0.117794 MAX 0.180801 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11104.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11104.5 PRESSURE: 3820400 127.071 73.2788 100.346 73.2783 -89.4979 63.2935 100.347 63.2937 -75.3879 GPRESSURE: 3820400 111.028 29.7197 61.4682 159.134 -22.2462 24.8185 133.14 39.3584 -23.5026 PRESSAVG: 3820400 5.25692 -33.9474 3.61756 -33.9474 3.95872 29.9225 3.61755 29.9224 -13.8531 GPRESSAVG: 3820400 5.08245 -32.3574 1.39672 -35.1182 3.80628 27.6346 -0.766402 30.0607 -13.4513 TIMING: 3820400 CPU: 11101.4, 0.00297801/step Wall: 11101.4, 0.00297801/step, 0.975796 hours remaining, 208.644531 MB of memory in use. ENERGY: 3820400 751.3211 2133.6530 1944.1589 108.1391 -206387.4002 18005.7472 0.0000 0.0000 34420.7904 -149023.5905 300.6053 -183444.3809 -148931.3403 298.6262 -12.6049 21.7597 558062.7325 -1.5458 -1.5209 PRESSURE: 3820600 -129.832 14.544 -114.376 14.5451 -233.694 94.5841 -114.376 94.5851 -182.214 GPRESSURE: 3820600 -112.106 35.2312 -115.597 9.38244 -189.565 -10.4078 -77.7956 119.418 -149.142 PRESSAVG: 3820600 6.25421 24.4067 21.7986 24.4067 -17.453 14.3825 21.7986 14.3824 3.6113 GPRESSAVG: 3820600 7.37669 22.6567 22.1488 25.9616 -18.4291 14.4806 24.3821 12.0918 3.42191 TIMING: 3820600 CPU: 11101.9, 0.00292367/step Wall: 11101.9, 0.00292367/step, 0.957828 hours remaining, 208.714844 MB of memory in use. ENERGY: 3820600 749.0554 2126.9140 1965.9249 108.9631 -205720.3379 17478.9049 0.0000 0.0000 34436.3584 -148854.2172 300.7413 -183290.5756 -148759.8907 300.5455 -181.9133 -150.2710 557985.4593 -2.5291 -2.5435 PRESSURE: 3820800 61.8823 -154.06 -50.0634 -154.06 192.688 36.4277 -50.0622 36.4272 150.824 GPRESSURE: 3820800 96.4082 -208.646 -84.8389 -87.7239 241.228 -44.6711 30.8025 -36.71 174.375 PRESSAVG: 3820800 21.1985 -6.85635 -15.0119 -6.85641 -13.4584 -54.9893 -15.0119 -54.9893 2.00971 GPRESSAVG: 3820800 20.3219 -6.02369 -14.5333 -8.34443 -13.6388 -54.6833 -14.8244 -53.0581 3.14634 TIMING: 3820800 CPU: 11102.5, 0.00291207/step Wall: 11102.5, 0.00291207/step, 0.953864 hours remaining, 208.714844 MB of memory in use. ENERGY: 3820800 728.5059 2096.2838 1970.4908 119.0172 -206162.6760 17976.1984 0.0000 0.0000 34341.9685 -148930.2115 299.9170 -183272.1799 -148833.7124 300.3575 135.1316 170.6703 557722.4134 3.2500 3.2765 PRESSURE: 3821000 -158.423 75.0476 -115.639 75.0481 -40.5218 12.5474 -115.638 12.5463 -156.99 GPRESSURE: 3821000 -135.177 62.808 -47.2985 160.064 30.5316 89.0745 -193.545 -60.5658 -148.466 PRESSAVG: 3821000 5.74029 19.5105 -51.8855 19.5105 -36.8003 -0.61067 -51.8854 -0.610767 18.5254 GPRESSAVG: 3821000 7.03979 17.4774 -49.8903 21.0734 -35.6577 1.85225 -53.8165 -1.18384 16.3657 TIMING: 3821000 CPU: 11103.1, 0.00293407/step Wall: 11103.1, 0.00293407/step, 0.960908 hours remaining, 208.714844 MB of memory in use. ENERGY: 3821000 752.4135 2115.2952 1984.4615 119.1867 -205820.3952 17590.3126 0.0000 0.0000 34421.4099 -148837.3158 300.6107 -183258.7257 -148744.8260 299.9160 -118.6448 -84.3706 557330.3729 -4.1782 -4.0841 PRESSURE: 3821200 -116.954 -160.857 -28.0482 -160.856 148.245 -93.6746 -28.0486 -93.675 193.959 GPRESSURE: 3821200 -105.946 -127.281 -65.6556 -123.871 196.733 -110.755 -79.039 -135.256 228.448 PRESSAVG: 3821200 57.6502 14.2609 -12.516 14.2609 -43.2036 -43.0518 -12.516 -43.0517 5.93512 GPRESSAVG: 3821200 57.4762 16.6843 -13.8171 12.8087 -43.8993 -45.6986 -12.4901 -41.5583 6.86144 TIMING: 3821200 CPU: 11103.7, 0.00289802/step Wall: 11103.7, 0.00289802/step, 0.948941 hours remaining, 208.714844 MB of memory in use. ENERGY: 3821200 746.4194 2079.9944 1959.8770 108.1706 -206144.1939 17915.4214 0.0000 0.0000 34327.3406 -149006.9705 299.7892 -183334.3111 -148908.3910 299.8904 75.0835 106.4119 556400.8973 6.7939 6.8128 PRESSURE: 3821400 282.406 150.02 -122.955 150.021 184.927 -142.307 -122.954 -142.307 -82.5768 GPRESSURE: 3821400 290.959 27.0322 -120.099 142.67 277.56 -56.2141 -96.1279 -94.3186 -92.0131 PRESSAVG: 3821400 62.7378 -8.32046 -26.1155 -8.32052 18.6285 -36.2772 -26.1155 -36.2772 -30.3237 GPRESSAVG: 3821400 62.5601 -8.6656 -27.787 -9.15672 17.6005 -35.5914 -25.6856 -35.8316 -29.3724 TIMING: 3821400 CPU: 11104.3, 0.00289913/step Wall: 11104.3, 0.00289913/step, 0.949142 hours remaining, 208.714844 MB of memory in use. ENERGY: 3821400 741.5742 2114.4236 1965.7406 107.9198 -206446.0280 17992.5281 0.0000 0.0000 34364.5068 -149159.3349 300.1138 -183523.8418 -149057.8478 299.4527 128.2521 158.8356 555481.6554 17.0142 16.9294 PRESSURE: 3821600 -139.196 85.2463 87.4492 85.247 -111.595 70.7546 87.4493 70.7552 1.31014 GPRESSURE: 3821600 -52.3109 84.4876 54.0648 62.7804 -87.8109 18.8799 96.0658 -18.8687 -14.7579 PRESSAVG: 3821600 4.64038 -28.5035 -17.9383 -28.5034 66.6025 -16.3776 -17.9383 -16.3775 -37.1869 GPRESSAVG: 3821600 4.82216 -30.2162 -15.65 -27.2696 67.6099 -15.9461 -16.5676 -20.1304 -38.6817 TIMING: 3821600 CPU: 11104.9, 0.00289572/step Wall: 11104.9, 0.00289572/step, 0.947866 hours remaining, 208.714844 MB of memory in use. ENERGY: 3821600 745.6140 2100.7165 1989.1573 111.6755 -206327.7457 17830.1313 0.0000 0.0000 34268.5372 -149281.9139 299.2757 -183550.4512 -149185.9586 299.7834 -83.1602 -51.6265 557313.6492 11.3520 11.2501 PRESSURE: 3821800 -259.014 60.6365 83.7503 60.6359 -102.79 -158.819 83.7507 -158.82 -20.898 GPRESSURE: 3821800 -251.359 83.9451 62.9188 67.4998 -45.098 -101.236 98.2935 -221.804 11.0597 PRESSAVG: 3821800 -20.6312 -33.2769 -11.0881 -33.277 31.4679 -60.5621 -11.0881 -60.5622 -8.47091 GPRESSAVG: 3821800 -21.1388 -31.2686 -12.1112 -34.9619 30.5258 -61.4137 -11.3587 -60.1733 -7.23019 TIMING: 3821800 CPU: 11105.4, 0.00292655/step Wall: 11105.4, 0.00292655/step, 0.957796 hours remaining, 208.714844 MB of memory in use. ENERGY: 3821800 745.8597 2088.8530 1954.8273 120.2164 -205991.9694 17663.5121 0.0000 0.0000 34224.3118 -149194.3892 298.8894 -183418.7009 -149090.2073 299.2994 -127.5672 -95.1325 558845.0734 0.7886 0.7189 PRESSURE: 3822000 -223.834 -47.9334 -253.142 -47.9332 -152.943 -10.6489 -253.142 -10.6501 -125.227 GPRESSURE: 3822000 -193.531 -114.042 -336.466 -39.9264 -100.274 -91.7556 -161.414 109.478 -115.865 PRESSAVG: 3822000 -58.2868 -6.70252 -44.1133 -6.70249 44.3667 -31.4561 -44.1132 -31.4561 -34.7059 GPRESSAVG: 3822000 -57.7582 -6.11772 -43.5999 -6.59108 44.8368 -31.3258 -44.9667 -30.0257 -34.9188 TIMING: 3822000 CPU: 11106, 0.00289808/step Wall: 11106, 0.00289808/step, 0.948315 hours remaining, 208.714844 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: 3822000 729.3268 2091.4267 1926.1702 111.3750 -206070.0007 17635.1286 0.0000 0.0000 34194.6953 -149381.8782 298.6308 -183576.5734 -149280.4486 298.3652 -167.3344 -136.5567 558533.9643 -16.2087 -15.9467 PRESSURE: 3822200 57.7303 -39.4363 -150.385 -39.4356 -9.71261 -196.662 -150.385 -196.662 -285.535 GPRESSURE: 3822200 64.5011 -24.2457 -139.013 -97.5333 39.23 -215.231 -113.041 -120.182 -245.717 PRESSAVG: 3822200 14.4257 5.87718 9.8815 5.87719 58.7141 11.1927 9.88145 11.1928 -13.2016 GPRESSAVG: 3822200 14.4795 4.33583 11.7889 7.20588 58.3748 11.8546 8.65885 11.1353 -12.9308 TIMING: 3822200 CPU: 11106.6, 0.00291429/step Wall: 11106.6, 0.00291429/step, 0.953458 hours remaining, 208.714844 MB of memory in use. ENERGY: 3822200 752.5055 2054.6864 1946.8791 118.2300 -206028.6320 17799.5992 0.0000 0.0000 34104.3007 -149252.4312 297.8413 -183356.7319 -149163.2851 298.9930 -79.1724 -47.3287 557958.2956 19.9794 19.9745 PRESSURE: 3822400 48.3673 -80.6816 52.4539 -80.6819 280.438 -128.584 52.454 -128.583 -90.1303 GPRESSURE: 3822400 88.1676 -114.676 -69.1726 -54.4542 269.157 -103.678 97.7299 -128.049 -23.9264 PRESSAVG: 3822400 -51.5224 19.4176 11.3416 19.4177 36.9595 -15.7955 11.3417 -15.7956 16.9598 GPRESSAVG: 3822400 -50.9969 20.2722 7.522 19.1251 37.0311 -15.2604 11.2359 -17.1618 16.8235 TIMING: 3822400 CPU: 11107.2, 0.00287102/step Wall: 11107.2, 0.00287102/step, 0.939143 hours remaining, 208.714844 MB of memory in use. ENERGY: 3822400 710.9713 2088.0332 1949.7404 101.7428 -206451.7148 17934.2562 0.0000 0.0000 34380.3564 -149286.6144 300.2522 -183666.9708 -149195.0796 298.4238 79.5584 111.1328 557276.4453 0.7990 0.9526 PRESSURE: 3822600 106.285 75.4407 185.19 75.44 -75.2001 -0.602575 185.19 -0.602659 -79.3445 GPRESSURE: 3822600 106.388 84.3859 228.778 95.3711 -64.2019 15.7406 154.121 -19.4888 -0.0566229 PRESSAVG: 3822600 -12.3321 16.6648 8.4592 16.6648 50.3351 -26.881 8.45917 -26.8811 -22.2342 GPRESSAVG: 3822600 -12.9995 16.0241 9.87233 17.8869 51.7831 -28.4068 8.07535 -26.5623 -22.698 TIMING: 3822600 CPU: 11107.8, 0.00288824/step Wall: 11107.8, 0.00288824/step, 0.944617 hours remaining, 208.714844 MB of memory in use. ENERGY: 3822600 704.0088 2063.6395 1917.2473 111.1210 -206135.5456 17719.8203 0.0000 0.0000 34317.1246 -149302.5840 299.7000 -183619.7086 -149197.2366 299.0212 -16.0865 14.0432 557852.8671 5.2563 5.3619 PRESSURE: 3822800 -213.141 83.8774 58.7672 83.8773 -86.6084 -109.864 58.7672 -109.863 84.92 GPRESSURE: 3822800 -157.616 14.2428 119.484 57.5959 -73.0541 -101.312 35.5676 -108.175 122 PRESSAVG: 3822800 39.4671 -33.8126 4.76625 -33.8126 -33.8884 -9.14452 4.76631 -9.1445 -11.0392 GPRESSAVG: 3822800 41.1762 -33.936 6.0271 -36.7616 -36.0122 -9.83702 5.78424 -7.4082 -10.5376 TIMING: 3822800 CPU: 11108.3, 0.00289114/step Wall: 11108.3, 0.00289114/step, 0.945403 hours remaining, 208.714844 MB of memory in use. ENERGY: 3822800 722.6764 2106.1656 1920.5500 117.6051 -206091.0791 17830.2308 0.0000 0.0000 34190.9829 -149202.8683 298.5984 -183393.8512 -149108.4866 298.9159 -71.6099 -36.2235 558061.7820 -1.8201 -1.7912 PRESSURE: 3823000 -173.525 -139.554 -169.496 -139.555 -228.277 -21.0255 -169.497 -21.0237 -264.228 GPRESSURE: 3823000 -210.165 -179.659 -110.371 -111.61 -156.189 -106.189 -162.766 42.7383 -196.437 PRESSAVG: 3823000 -47.932 13.9058 21.1229 13.9059 -14.3108 -45.3669 21.1229 -45.3669 50.5449 GPRESSAVG: 3823000 -49.912 14.644 20.2579 15.7531 -11.4614 -43.0892 21.6496 -46.5577 49.6843 TIMING: 3823000 CPU: 11108.9, 0.0029123/step Wall: 11108.9, 0.0029123/step, 0.952161 hours remaining, 208.714844 MB of memory in use. ENERGY: 3823000 731.5746 2098.0594 1963.5657 119.7023 -205956.9342 17522.1056 0.0000 0.0000 34374.2622 -149147.6644 300.1990 -183521.9266 -149048.7663 299.5378 -222.0100 -187.5969 558688.1223 -3.8993 -3.8963 PRESSURE: 3823200 -10.905 -73.0433 -97.1777 -73.0438 -130.136 -1.07108 -97.1777 -1.07093 -346.283 GPRESSURE: 3823200 49.159 -62.8205 -49.279 -55.7395 -87.2892 -11.3291 -126.988 20.0243 -366.93 PRESSAVG: 3823200 16.9609 -42.8227 -11.8888 -42.8226 39.7513 -11.6642 -11.8888 -11.6642 -36.6469 GPRESSAVG: 3823200 17.5305 -43.4095 -8.89173 -43.2601 38.7397 -13.5477 -13.2158 -12.3824 -35.4886 TIMING: 3823200 CPU: 11109.5, 0.00291978/step Wall: 11109.5, 0.00291978/step, 0.954443 hours remaining, 208.714844 MB of memory in use. ENERGY: 3823200 782.8297 2106.7599 1933.6014 111.1768 -205834.0466 17632.2624 0.0000 0.0000 34302.0790 -148965.3374 299.5686 -183267.4164 -148869.3148 299.6223 -162.4411 -135.0202 559465.7603 6.6884 6.9272 PRESSURE: 3823400 350.434 -57.8338 -31.9001 -57.8334 58.7623 34.6803 -31.8999 34.6807 -290.976 GPRESSURE: 3823400 355.254 -104.683 -97.2449 -47.4851 69.7949 -9.88342 -91.5979 8.09451 -210.448 PRESSAVG: 3823400 58.3845 -43.1332 -3.97876 -43.1332 -64.9393 35.3235 -3.9787 35.3235 21.9584 GPRESSAVG: 3823400 58.7817 -42.8281 -7.3735 -42.7791 -65.2229 37.1475 -4.76469 36.6163 21.8068 TIMING: 3823400 CPU: 11110.1, 0.00290322/step Wall: 11110.1, 0.00290322/step, 0.948868 hours remaining, 208.714844 MB of memory in use. ENERGY: 3823400 733.9688 2117.3599 1954.1455 103.0653 -206258.7812 17957.7268 0.0000 0.0000 34327.2980 -149065.2169 299.7888 -183392.5149 -148967.3390 299.9918 39.4066 71.5337 559568.1908 5.1345 5.1219 PRESSURE: 3823600 -2.53797 -7.40078 257.326 -7.40123 77.4647 -8.66544 257.326 -8.66561 77.5079 GPRESSURE: 3823600 -23.6955 47.8873 255.04 -60.4077 174.215 20.077 156.052 -61.2491 107.642 PRESSAVG: 3823600 -59.939 9.87132 42.3868 9.8714 0.731565 -44.84 42.3869 -44.84 27.5226 GPRESSAVG: 3823600 -60.3126 8.09717 41.8562 8.77077 0.818085 -45.7489 43.7477 -45.1594 27.7955 TIMING: 3823600 CPU: 11110.7, 0.00292647/step Wall: 11110.7, 0.00292647/step, 0.956305 hours remaining, 208.714844 MB of memory in use. ENERGY: 3823600 742.0496 2102.2920 1954.3333 107.2509 -206282.0962 17813.7503 0.0000 0.0000 34361.2294 -149201.1907 300.0852 -183562.4202 -149100.5537 299.6488 50.8115 86.0538 556888.9761 -10.5616 -10.5663 PRESSURE: 3823800 -300.516 275.185 107.539 275.184 -62.8274 11.2412 107.539 11.2416 -261.389 GPRESSURE: 3823800 -256.763 223.655 80.534 272.988 -10.0437 -7.49068 144.598 31.8877 -254.876 PRESSAVG: 3823800 -64.5622 -24.4964 2.57512 -24.4964 96.9454 -8.16805 2.57502 -8.16814 -35.8019 GPRESSAVG: 3823800 -64.5262 -21.88 3.88945 -24.854 96.3009 -8.62458 0.920824 -7.64549 -35.112 TIMING: 3823800 CPU: 11111.2, 0.00290225/step Wall: 11111.2, 0.00290225/step, 0.948231 hours remaining, 208.714844 MB of memory in use. ENERGY: 3823800 721.1998 2104.3703 1923.9257 111.0260 -205778.9564 17451.1767 0.0000 0.0000 34180.2520 -149287.0058 298.5046 -183467.2578 -149183.8694 299.3506 -208.2441 -173.8944 557800.8792 -1.1396 -1.1124 PRESSURE: 3824000 57.7989 45.3553 17.1632 45.3555 -45.1022 20.7729 17.1618 20.7739 -113.564 GPRESSURE: 3824000 52.053 -27.453 70.6027 84.7618 3.41737 106.26 51.6268 5.09122 -61.5825 PRESSAVG: 3824000 -25.9582 57.1132 26.0066 57.1132 61.439 -49.3842 26.0065 -49.384 -3.44769 GPRESSAVG: 3824000 -25.4666 55.6168 25.2862 57.8618 61.7326 -49.4054 27.7442 -47.6072 -4.06302 TIMING: 3824000 CPU: 11111.8, 0.00291822/step Wall: 11111.8, 0.00291822/step, 0.953286 hours remaining, 208.714844 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: 3824000 743.5004 2144.4330 1935.6810 126.0900 -205943.2150 17802.3628 0.0000 0.0000 34014.9657 -149176.1821 297.0612 -183191.1479 -149076.2919 299.2473 -33.6225 -2.0374 558312.3606 10.6777 10.7343 PRESSURE: 3824200 -20.9576 128.687 85.1898 128.686 -25.6568 -201.701 85.1897 -201.701 46.8361 GPRESSURE: 3824200 12.3656 91.1249 57.3645 133.644 27.8992 -178.654 56.9617 -148.944 67.3191 PRESSAVG: 3824200 -8.23843 8.69399 -1.41562 8.69388 -41.5916 -80.3476 -1.4156 -80.3477 45.163 GPRESSAVG: 3824200 -9.01481 6.37203 -2.46147 9.43828 -39.7215 -80.993 -3.00923 -82.5289 44.5362 TIMING: 3824200 CPU: 11112.4, 0.00289358/step Wall: 11112.4, 0.00289358/step, 0.945076 hours remaining, 208.714844 MB of memory in use. ENERGY: 3824200 725.0017 2122.2308 1959.0832 108.5252 -206255.8298 17919.1493 0.0000 0.0000 34306.8622 -149114.9774 299.6104 -183421.8396 -149015.0641 299.4746 0.0739 35.8613 557770.8386 -1.5557 -1.4000 LDB: ============= START OF LOAD BALANCING ============== 11115.9 LDB: ============== END OF LOAD BALANCING =============== 11115.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11115.9 LDB: ============= START OF LOAD BALANCING ============== 11116.2 LDB: Largest compute 4848 load 0.029016 is 24.6% of average load 0.117810 LDB: Average compute 0.001736 is 1.5% of average load 0.117810 LDB: TIME 11116.2 LOAD: AVG 0.11781 MAX 0.182153 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 11116.2 LOAD: AVG 0.11781 MAX 0.182153 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.809 MB LDB: TIME 11116.2 LOAD: AVG 0.11781 MAX 0.182153 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.809 MB LDB: ============== END OF LOAD BALANCING =============== 11116.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11116.2 PRESSURE: 3824400 -217.058 13.1228 20.3637 13.1215 19.4666 109.258 20.3645 109.256 -267.32 GPRESSURE: 3824400 -177.298 -40.838 104.612 -6.77588 31.9684 102.576 -22.4591 108.939 -218.731 PRESSAVG: 3824400 -63.7777 3.11473 -27.2221 3.11475 -14.9001 -67.99 -27.2221 -67.9899 65.3516 GPRESSAVG: 3824400 -63.9737 4.5919 -27.6798 4.25557 -14.7214 -68.8362 -25.9426 -67.4195 65.3449 TIMING: 3824400 CPU: 11113, 0.00296052/step Wall: 11113, 0.00296052/step, 0.966774 hours remaining, 205.753906 MB of memory in use. ENERGY: 3824400 726.0564 2116.2784 1935.2610 116.6110 -205675.4469 17505.9110 0.0000 0.0000 34264.8181 -149010.5110 299.2432 -183275.3291 -148913.1953 300.1281 -154.9705 -121.3535 557610.2370 -4.4420 -4.4501 PRESSURE: 3824600 76.7964 84.1405 -45.0411 84.1398 10.4305 -197.626 -45.0417 -197.627 268.269 GPRESSURE: 3824600 45.2944 62.2672 -84.7652 6.96187 116.238 -154.084 71.5054 -213.897 290.013 PRESSAVG: 3824600 -49.7012 -76.4883 -0.478261 -76.4882 19.3398 -48.8708 -0.478227 -48.8708 60.423 GPRESSAVG: 3824600 -48.722 -75.2415 2.0165 -78.6605 19.0406 -47.6368 -0.878717 -51.1089 59.8255 TIMING: 3824600 CPU: 11113.6, 0.00290005/step Wall: 11113.6, 0.00290005/step, 0.946867 hours remaining, 206.011719 MB of memory in use. ENERGY: 3824600 747.3986 2096.1583 1972.4051 116.8066 -206456.9304 17945.0866 0.0000 0.0000 34447.6491 -149131.4261 300.8399 -183579.0752 -149034.8712 299.6779 118.4987 150.5153 556541.2764 10.0205 10.0481 PRESSURE: 3824800 -341.139 53.3905 -41.2733 53.3895 -235.937 10.8067 -41.2731 10.8068 253.862 GPRESSURE: 3824800 -282.14 17.7942 -19.1519 50.1832 -221.246 34.8572 12.5025 -15.8858 289.339 PRESSAVG: 3824800 -39.6034 -5.29164 4.02471 -5.29168 25.9722 -8.62978 4.02468 -8.62976 10.1052 GPRESSAVG: 3824800 -41.0898 -7.49641 1.20976 -2.57709 25.249 -7.97957 6.02189 -7.5153 12.3674 TIMING: 3824800 CPU: 11114.2, 0.00293628/step Wall: 11114.2, 0.00293628/step, 0.958532 hours remaining, 206.011719 MB of memory in use. ENERGY: 3824800 750.3844 2173.5159 1966.0675 107.3498 -205955.8418 17565.1336 0.0000 0.0000 34343.1581 -149050.2327 299.9273 -183393.3907 -148947.0061 299.8400 -107.7381 -71.3491 557701.7050 -1.1753 -1.1578 PRESSURE: 3825000 -108.882 20.033 -35.5705 20.0321 -225.924 -107.262 -35.5687 -107.262 -238.189 GPRESSURE: 3825000 -93.6718 -55.526 -59.6807 65.4209 -192.569 -138.842 -90.9956 -70.9788 -185.34 PRESSAVG: 3825000 -33.298 -44.5319 23.9939 -44.5319 49.491 -15.4394 23.9938 -15.4394 35.2162 GPRESSAVG: 3825000 -32.6601 -42.4293 25.6133 -46.7342 50.7062 -16.5274 21.5349 -14.833 33.8132 TIMING: 3825000 CPU: 11114.7, 0.00290375/step Wall: 11114.7, 0.00290375/step, 0.947753 hours remaining, 206.011719 MB of memory in use. ENERGY: 3825000 741.8915 2126.0761 1989.4334 110.4550 -206098.6584 17637.6965 0.0000 0.0000 34451.2477 -149041.8583 300.8713 -183493.1060 -148945.8844 300.5087 -190.9982 -157.1934 557785.3032 17.1364 17.2864 PRESSURE: 3825200 202.349 111.906 -198.284 111.904 109.994 -94.791 -198.284 -94.7912 -135.818 GPRESSURE: 3825200 179.7 202.42 -185.036 157.885 190.508 -133.849 -157.839 -39.6279 -104.265 PRESSAVG: 3825200 -13.1947 13.1058 -29.937 13.1057 -18.5967 17.727 -29.9371 17.7271 19.6236 GPRESSAVG: 3825200 -13.2495 13.8952 -32.2763 15.0891 -19.9797 18.2892 -28.61 15.9791 20.6596 TIMING: 3825200 CPU: 11115.3, 0.00289977/step Wall: 11115.3, 0.00289977/step, 0.946291 hours remaining, 206.121094 MB of memory in use. ENERGY: 3825200 750.3368 2073.4273 1969.4742 120.9828 -205895.9692 17656.9734 0.0000 0.0000 34632.3536 -148692.4212 302.4530 -183324.7748 -148587.4627 300.6884 58.8417 88.6477 556167.0261 -4.0559 -4.1899 PRESSURE: 3825400 50.9091 -145.097 -116.922 -145.098 -117.168 -21.5221 -116.921 -21.523 121.303 GPRESSURE: 3825400 67.7292 -183.891 -78.9621 -89.2824 -80.2339 -25.8898 -90.7021 -63.6296 155.005 PRESSAVG: 3825400 -21.3322 -17.3866 -18.8865 -17.3866 -34.5184 -12.4321 -18.8865 -12.4321 13.3837 GPRESSAVG: 3825400 -20.1269 -20.727 -17.6736 -19.3645 -34.6043 -13.1618 -18.8468 -11.9462 12.1434 TIMING: 3825400 CPU: 11115.9, 0.00291567/step Wall: 11115.9, 0.00291567/step, 0.951317 hours remaining, 206.121094 MB of memory in use. ENERGY: 3825400 774.3620 2091.4709 1989.4466 116.8249 -206043.3857 17855.2080 0.0000 0.0000 34395.9981 -148820.0753 300.3888 -183216.0733 -148723.5277 300.7423 18.3481 47.5000 557965.6225 -14.1556 -14.1959 PRESSURE: 3825600 -189.194 12.0222 36.0313 12.0214 -176.945 -62.6749 36.0309 -62.6762 218.185 GPRESSURE: 3825600 -137.802 -15.392 13.2864 6.12978 -186.18 -95.879 50.3541 -38.136 262.997 PRESSAVG: 3825600 -49.9132 -27.9064 -10.4927 -27.9064 -6.86305 20.2052 -10.4927 20.2052 64.1484 GPRESSAVG: 3825600 -50.8654 -25.0471 -10.7754 -27.5253 -6.45066 20.7711 -10.8519 21.6541 64.6638 TIMING: 3825600 CPU: 11116.5, 0.00290107/step Wall: 11116.5, 0.00290107/step, 0.946392 hours remaining, 206.121094 MB of memory in use. ENERGY: 3825600 713.0604 2107.2973 1964.5577 101.6552 -205630.5195 17689.9326 0.0000 0.0000 34257.1046 -148796.9117 299.1758 -183054.0163 -148694.7594 300.2597 -49.3181 -20.3284 559220.1849 2.4574 2.4492 PRESSURE: 3825800 -17.0103 -47.4249 -126.005 -47.425 241.596 -13.8495 -126.006 -13.8497 -38.3083 GPRESSURE: 3825800 29.1905 -36.7172 -90.515 -118.209 279.502 37.3413 -167.18 -19.5842 -25.2552 PRESSAVG: 3825800 -50.0281 10.9041 -14.5113 10.904 13.8069 19.9403 -14.5113 19.9404 24.8667 GPRESSAVG: 3825800 -49.2873 11.7701 -11.3634 9.89608 14.2077 20.9649 -15.4531 18.9817 23.9258 TIMING: 3825800 CPU: 11117.1, 0.0029102/step Wall: 11117.1, 0.0029102/step, 0.949211 hours remaining, 206.121094 MB of memory in use. ENERGY: 3825800 754.5610 2101.2440 1942.1147 107.4531 -206326.9599 18030.9824 0.0000 0.0000 34374.4756 -149016.1291 300.2008 -183390.6047 -148921.6644 299.9481 62.0926 94.4791 559162.4581 -3.7848 -3.7179 PRESSURE: 3826000 -100.365 152.221 -73.1016 152.222 -169.284 -118.554 -73.102 -118.554 162.814 GPRESSURE: 3826000 -1.20973 145.607 10.4168 111.8 -164.554 -143.491 -167.696 -146.706 149.77 PRESSAVG: 3826000 -66.4516 2.74416 -60.8644 2.74406 -0.88467 19.7878 -60.8644 19.7878 48.1276 GPRESSAVG: 3826000 -64.8633 2.18474 -62.841 4.188 -1.94051 19.5259 -61.1317 19.3657 47.7807 TIMING: 3826000 CPU: 11117.7, 0.00291204/step Wall: 11117.7, 0.00291204/step, 0.94965 hours remaining, 206.132812 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: 3826000 749.3130 2111.6160 1916.6179 111.8381 -205943.2216 17769.4407 0.0000 0.0000 34258.6017 -149025.7943 299.1889 -183284.3960 -148938.7127 299.8867 -35.6116 -5.3312 557993.8999 -6.4029 -6.3410 PRESSURE: 3826200 293.179 41.0688 181.469 41.0681 -65.8346 158.599 181.469 158.599 253.803 GPRESSURE: 3826200 305.91 81.9479 127.308 -77.2948 5.92043 119.016 242.213 105.893 271.193 PRESSAVG: 3826200 21.0016 -25.5281 -31.6791 -25.528 -69.2372 -16.1334 -31.6791 -16.1335 54.203 GPRESSAVG: 3826200 19.601 -26.7555 -33.598 -24.5619 -68.9097 -19.1389 -29.6313 -15.4677 55.0171 TIMING: 3826200 CPU: 11118.2, 0.00291624/step Wall: 11118.2, 0.00291624/step, 0.950857 hours remaining, 206.132812 MB of memory in use. ENERGY: 3826200 738.4554 2056.8144 1970.3523 128.9561 -206522.7463 18208.5953 0.0000 0.0000 34456.3935 -148963.1793 300.9163 -183419.5728 -148867.7219 300.1676 160.3825 194.3411 556971.4130 1.9892 1.9028 PRESSURE: 3826400 -237.025 59.9598 18.3053 59.9591 -130.971 -19.7786 18.3049 -19.7792 123.55 GPRESSURE: 3826400 -205.128 -48.7372 34.353 82.7824 -131.206 -73.6596 -122.689 -76.4651 174.267 PRESSAVG: 3826400 22.8829 -2.02001 12.4075 -2.01995 -35.9876 -4.80366 12.4075 -4.80371 46.3716 GPRESSAVG: 3826400 23.0642 -2.57811 13.8969 -2.99883 -36.2535 -1.64809 12.4696 -6.51775 45.7919 TIMING: 3826400 CPU: 11118.8, 0.00290231/step Wall: 11118.8, 0.00290231/step, 0.946152 hours remaining, 206.132812 MB of memory in use. ENERGY: 3826400 748.3812 2051.3128 1963.9131 105.2807 -205825.4613 17617.4275 0.0000 0.0000 34246.6920 -149092.4539 299.0849 -183339.1459 -148996.6149 300.0785 -81.4819 -54.0224 558434.6940 11.0889 10.8675 PRESSURE: 3826600 -165.928 -31.7356 32.0626 -31.7367 -210.42 -168.981 32.0632 -168.982 114.819 GPRESSURE: 3826600 -119.448 -30.6036 35.7099 -31.8931 -176.508 -265.118 62.7161 -168.268 126.795 PRESSAVG: 3826600 -36.1759 28.3043 -8.30157 28.3043 8.87676 -27.3658 -8.30155 -27.3658 42.3294 GPRESSAVG: 3826600 -35.9014 28.9459 -7.53754 29.2669 9.20495 -29.171 -9.93663 -24.285 41.8887 TIMING: 3826600 CPU: 11119.4, 0.0029073/step Wall: 11119.4, 0.0029073/step, 0.947618 hours remaining, 206.132812 MB of memory in use. ENERGY: 3826600 751.9924 2099.6948 1955.7922 116.7552 -206281.0373 17742.8135 0.0000 0.0000 34393.1544 -149220.8346 300.3640 -183613.9890 -149122.8542 299.1615 -87.1765 -56.3869 558398.8302 5.0101 5.0641 PRESSURE: 3826800 -307.838 2.67934 35.9865 2.67833 -82.3235 -16.9979 35.9873 -16.9962 -387.67 GPRESSURE: 3826800 -238.712 80.9501 22.2583 16.4861 -74.8052 35.2121 9.44346 -75.0523 -345.606 PRESSAVG: 3826800 -65.4108 15.3312 17.3922 15.3311 99.8357 28.285 17.3921 28.285 -58.7866 GPRESSAVG: 3826800 -65.4406 13.8409 16.0793 12.9955 99.2378 29.6737 19.0269 27.8806 -58.1544 TIMING: 3826800 CPU: 11120, 0.00289746/step Wall: 11120, 0.00289746/step, 0.944248 hours remaining, 206.132812 MB of memory in use. ENERGY: 3826800 781.9632 2059.6221 1956.3973 103.6346 -206005.7959 17648.9179 0.0000 0.0000 34068.3294 -149386.9315 297.5272 -183455.2609 -149292.9961 299.4416 -259.2772 -219.7076 558184.4132 -8.1206 -8.1191 PRESSURE: 3827000 95.8142 80.6784 -32.8605 80.6793 0.632579 -75.6345 -32.8602 -75.6343 146.343 GPRESSURE: 3827000 156.094 36.2427 70.3373 153.785 49.4903 -41.8177 -179.419 -121.109 137.202 PRESSAVG: 3827000 35.5332 49.3479 4.09882 49.3478 -21.5856 27.6658 4.09876 27.6658 -30.0171 GPRESSAVG: 3827000 34.8113 50.3023 4.64946 50.6566 -20.8009 28.3809 4.20805 26.1534 -30.1019 TIMING: 3827000 CPU: 11120.6, 0.00290791/step Wall: 11120.6, 0.00290791/step, 0.947495 hours remaining, 206.132812 MB of memory in use. ENERGY: 3827000 731.5635 2097.3061 1957.6715 109.4635 -206871.7542 18231.0463 0.0000 0.0000 34285.5757 -149459.1276 299.4245 -183744.7033 -149358.2035 298.7687 80.9301 114.2623 557150.1144 -5.3565 -5.3638 PRESSURE: 3827200 -147.258 -3.09751 -30.2698 -3.09676 -171.537 -161.085 -30.2705 -161.084 -227.828 GPRESSURE: 3827200 -92.1247 43.6371 -25.5741 -116.676 -135.294 -83.8863 -38.8133 -177.906 -217.134 PRESSAVG: 3827200 -46.7064 62.0452 1.95309 62.0452 32.7187 -17.5625 1.95312 -17.5626 -2.70579 GPRESSAVG: 3827200 -47.1725 63.5542 2.74305 61.0252 32.6651 -18.3729 1.34274 -17.0691 -2.42671 TIMING: 3827200 CPU: 11121.1, 0.00294003/step Wall: 11121.1, 0.00294003/step, 0.957796 hours remaining, 206.132812 MB of memory in use. ENERGY: 3827200 758.1416 2023.4208 1944.1701 104.7628 -206518.5796 17776.1611 0.0000 0.0000 34199.4045 -149712.5188 298.6719 -183911.9233 -149610.6964 298.1559 -182.2077 -148.1840 559162.5245 -5.5645 -5.6447 PRESSURE: 3827400 68.7748 14.3882 9.66339 14.389 -225.985 96.5512 9.66281 96.5503 -106.202 GPRESSURE: 3827400 115.556 64.1583 -64.7427 12.3361 -207.803 73.933 105.528 171.931 -63.4803 PRESSAVG: 3827400 3.86243 37.6375 23.4937 37.6375 -45.2475 -17.8571 23.4938 -17.857 32.6663 GPRESSAVG: 3827400 5.07362 36.5433 22.9304 36.2816 -46.1381 -20.3306 24.6444 -16.5254 32.6743 TIMING: 3827400 CPU: 11121.7, 0.00294797/step Wall: 11121.7, 0.00294797/step, 0.960221 hours remaining, 206.132812 MB of memory in use. ENERGY: 3827400 721.2349 2118.8367 1953.9414 114.1722 -206306.5431 17747.8241 0.0000 0.0000 33811.2309 -149839.3029 295.2819 -183650.5338 -149741.6328 297.5804 -87.8039 -51.9092 560204.9252 -2.9063 -2.7967 PRESSURE: 3827600 58.4099 -59.9195 5.08768 -59.921 -58.1727 -12.2101 5.0866 -12.2111 -52.8756 GPRESSURE: 3827600 73.9605 -111.707 -38.9787 98.4693 -43.271 -41.205 128.353 34.4868 4.68875 PRESSAVG: 3827600 32.3859 -4.19467 34.688 -4.19464 -1.85801 31.9258 34.6881 31.9257 -6.468 GPRESSAVG: 3827600 31.5927 -5.68073 36.1671 -1.85913 -0.151813 33.0812 33.8253 31.586 -6.7041 TIMING: 3827600 CPU: 11122.3, 0.002903/step Wall: 11122.3, 0.002903/step, 0.945411 hours remaining, 206.132812 MB of memory in use. ENERGY: 3827600 709.4822 2025.2880 1936.0154 103.1213 -206651.7171 17815.5731 0.0000 0.0000 34079.6315 -149982.6056 297.6259 -184062.2371 -149891.2247 297.1145 -17.5461 11.7927 558587.3449 8.0200 8.2456 PRESSURE: 3827800 0.192668 -197.217 -19.4404 -197.218 48.3496 -30.6939 -19.4402 -30.6951 -167.531 GPRESSURE: 3827800 32.8102 -254.705 -4.08092 -144.822 70.9436 -115.95 -23.0959 -10.3717 -125.272 PRESSAVG: 3827800 -13.0614 -7.12088 58.1046 -7.12087 22.7533 36.831 58.1047 36.8309 -37.9684 GPRESSAVG: 3827800 -13.1895 -8.15903 57.4117 -7.58043 22.5007 36.7748 58.0193 38.3095 -37.7456 TIMING: 3827800 CPU: 11122.9, 0.00291154/step Wall: 11122.9, 0.00291154/step, 0.94803 hours remaining, 206.132812 MB of memory in use. ENERGY: 3827800 731.7141 2108.1508 1914.1136 110.9779 -206954.2290 17962.5206 0.0000 0.0000 34070.6994 -150056.0526 297.5479 -184126.7520 -149961.4422 296.9157 -39.6630 -7.1728 557119.9902 -9.4255 -9.4781 PRESSURE: 3828000 -58.2259 26.1485 235.349 26.1475 -43.1166 108.302 235.349 108.302 261.271 GPRESSURE: 3828000 55.6172 65.8674 214.533 -5.13794 -26.439 67.5774 157.384 215.099 227.112 PRESSAVG: 3828000 17.6923 -10.2209 43.4517 -10.2209 -17.5353 47.1002 43.4517 47.1002 -58.7765 GPRESSAVG: 3828000 18.1971 -4.84859 42.8647 -11.4348 -19.4079 47.1958 43.3836 45.0454 -57.0458 TIMING: 3828000 CPU: 11123.5, 0.00293362/step Wall: 11123.5, 0.00293362/step, 0.955057 hours remaining, 206.132812 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: 3828000 752.4120 2104.3694 1944.1954 109.4838 -206870.4100 18117.0753 0.0000 0.0000 33898.0039 -149944.8701 296.0397 -183842.8741 -149854.3225 296.3959 53.3094 85.4302 556579.0286 -19.5398 -19.4189 PRESSURE: 3828200 -130.654 32.6495 -63.604 32.6499 140.125 -33.5357 -63.6043 -33.5348 198.394 GPRESSURE: 3828200 -76.6088 57.019 28.3778 -15.7971 193.799 -4.50418 -29.5378 -117.702 193.912 PRESSAVG: 3828200 -35.6331 -8.27312 67.9895 -8.27315 26.0373 16.0389 67.9896 16.0391 21.5333 GPRESSAVG: 3828200 -36.312 -10.6546 66.2287 -8.28535 29.3759 16.702 68.2512 16.0189 19.0858 TIMING: 3828200 CPU: 11124.1, 0.00294406/step Wall: 11124.1, 0.00294406/step, 0.95829 hours remaining, 206.132812 MB of memory in use. ENERGY: 3828200 728.0136 2049.8161 1924.1170 113.1905 -206348.1554 17914.1896 0.0000 0.0000 33856.9837 -149761.8448 295.6815 -183618.8285 -149668.4004 296.7571 69.2885 103.7007 557863.0410 3.9792 4.0499 LDB: ============= START OF LOAD BALANCING ============== 11127.5 LDB: ============== END OF LOAD BALANCING =============== 11127.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11127.5 LDB: ============= START OF LOAD BALANCING ============== 11127.8 LDB: Largest compute 4848 load 0.030309 is 25.7% of average load 0.117772 LDB: Average compute 0.001735 is 1.5% of average load 0.117772 LDB: TIME 11127.8 LOAD: AVG 0.117772 MAX 0.180007 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11127.8 LOAD: AVG 0.117772 MAX 0.180007 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 11127.8 LOAD: AVG 0.117772 MAX 0.180007 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: ============== END OF LOAD BALANCING =============== 11127.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11127.8 PRESSURE: 3828400 -73.9116 -66.9815 80.8688 -66.9823 -139.127 -12.9879 80.8677 -12.9895 -110.125 GPRESSURE: 3828400 -65.9343 -4.66896 20.2077 -49.4129 -160.719 -31.6067 125.933 -16.2389 5.495 PRESSAVG: 3828400 32.5243 -28.0638 10.5928 -28.0639 -6.39558 2.97306 10.5927 2.97295 -33.0206 GPRESSAVG: 3828400 34.4146 -28.1694 12.1215 -25.4634 -9.5914 1.68273 10.9432 3.51486 -32.1431 TIMING: 3828400 CPU: 11124.7, 0.00295467/step Wall: 11124.7, 0.00295467/step, 0.96158 hours remaining, 207.886719 MB of memory in use. ENERGY: 3828400 711.9475 2122.0955 1923.6407 96.7558 -206619.8757 17912.4172 0.0000 0.0000 34215.7355 -149637.2836 298.8145 -183853.0190 -149536.4753 297.2183 -107.7212 -73.7194 559222.3477 -2.2973 -2.4400 PRESSURE: 3828600 35.7826 115.645 73.2036 115.645 -175.329 85.8027 73.2045 85.8048 199.507 GPRESSURE: 3828600 55.3803 117.276 104.497 52.0299 -154.082 155.6 92.8403 97.3688 250.61 PRESSAVG: 3828600 -1.55605 7.3128 2.59732 7.31276 15.0143 -61.611 2.5973 -61.6111 43.2589 GPRESSAVG: 3828600 -1.28923 9.16451 1.19115 5.12796 13.5999 -59.9618 3.06133 -60.4209 44.4948 TIMING: 3828600 CPU: 11125.2, 0.00291114/step Wall: 11125.2, 0.00291114/step, 0.947253 hours remaining, 207.957031 MB of memory in use. ENERGY: 3828600 730.8961 2161.2099 1936.8968 107.2378 -206579.3034 17858.5853 0.0000 0.0000 34231.1570 -149553.3205 298.9492 -183784.4775 -149456.9556 298.2262 19.9871 50.6363 558662.2357 18.9057 18.9352 PRESSURE: 3828800 209.503 32.805 84.9721 32.805 4.59887 102.439 84.9717 102.438 -90.3002 GPRESSURE: 3828800 236.581 -35.7633 -12.5728 -14.0462 -2.09231 150.793 111.736 71.8264 -20.3961 PRESSAVG: 3828800 18.7039 -0.481918 -21.5812 -0.481902 -24.7461 -52.4991 -21.5812 -52.4991 18.4493 GPRESSAVG: 3828800 17.1885 -2.03394 -20.7788 -0.703495 -22.218 -51.1028 -21.1682 -53.5132 17.7143 TIMING: 3828800 CPU: 11125.8, 0.00292384/step Wall: 11125.8, 0.00292384/step, 0.951222 hours remaining, 207.957031 MB of memory in use. ENERGY: 3828800 754.6262 2051.5867 1955.1075 104.2197 -206478.8027 18015.1614 0.0000 0.0000 33996.2460 -149601.8552 296.8977 -183598.1012 -149497.4322 298.4570 41.2671 71.3641 558806.1360 4.1357 4.2283 PRESSURE: 3829000 -238.037 -68.6044 -96.2165 -68.6053 -5.18016 -93.9405 -96.216 -93.9407 111.726 GPRESSURE: 3829000 -146.84 -53.3867 -75.9186 -91.5474 21.6699 -108.512 -85.3436 -81.8134 104.019 PRESSAVG: 3829000 -4.84891 42.7947 9.55779 42.7948 7.27238 -56.7106 9.55782 -56.7105 41.0093 GPRESSAVG: 3829000 -4.79715 42.5365 10.494 42.2737 6.58957 -59.6839 7.78814 -56.2736 41.5565 TIMING: 3829000 CPU: 11126.4, 0.00291548/step Wall: 11126.4, 0.00291548/step, 0.948341 hours remaining, 208.160156 MB of memory in use. ENERGY: 3829000 789.2463 2154.2892 1969.7538 114.8517 -206640.5658 18038.3642 0.0000 0.0000 34216.2618 -149357.7989 298.8191 -183574.0607 -149259.3497 298.0752 -43.8303 -7.0505 558406.5146 14.4776 14.4496 PRESSURE: 3829200 184.441 66.6183 -183.726 66.6189 67.1675 57.1 -183.724 57.0999 144.072 GPRESSURE: 3829200 188.259 23.6676 -126.134 43.3455 98.4781 24.5716 -87.0252 -8.15512 205.936 PRESSAVG: 3829200 -26.0827 35.4084 -32.6735 35.4085 20.4444 -22.8484 -32.6735 -22.8485 7.27044 GPRESSAVG: 3829200 -26.0886 34.2538 -31.8281 36.1941 21.4176 -19.2976 -32.6441 -26.3604 6.71031 TIMING: 3829200 CPU: 11127, 0.00292882/step Wall: 11127, 0.00292882/step, 0.952517 hours remaining, 208.160156 MB of memory in use. ENERGY: 3829200 731.4456 2117.0519 1951.3192 106.9636 -206569.3762 17989.8747 0.0000 0.0000 34306.8397 -149365.8815 299.6102 -183672.7212 -149274.9237 298.1745 131.8933 164.2245 556855.0277 0.5441 0.6798 PRESSURE: 3829400 -237.247 54.7988 -208.376 54.8005 69.6387 -146.851 -208.374 -146.852 -17.2141 GPRESSURE: 3829400 -196.919 62.4897 -310.545 2.84517 108.009 -3.07914 -207.299 -278.401 13.256 PRESSAVG: 3829400 -3.66906 -3.46632 -33.2697 -3.46619 9.31414 21.2255 -33.2697 21.2254 -21.0279 GPRESSAVG: 3829400 -2.17776 -2.22139 -36.2067 -1.39619 8.50897 19.391 -32.2345 21.1858 -21.3966 TIMING: 3829400 CPU: 11127.6, 0.00293268/step Wall: 11127.6, 0.00293268/step, 0.95361 hours remaining, 208.160156 MB of memory in use. ENERGY: 3829400 733.3293 2126.0165 1963.0061 105.4443 -206372.2702 17739.9010 0.0000 0.0000 34151.7074 -149552.8656 298.2554 -183704.5730 -149463.5910 298.0132 -61.6076 -25.2179 557237.7800 -5.1276 -5.0218 PRESSURE: 3829600 283.362 -51.9745 -135.604 -51.9748 104.445 100.928 -135.603 100.927 102.378 GPRESSURE: 3829600 295.195 -79.405 -108.534 -117.761 121.449 48.2042 -197.642 82.5776 158.337 PRESSAVG: 3829600 26.2792 -2.62351 -36.4132 -2.62354 -4.41138 22.4185 -36.4131 22.4185 6.69735 GPRESSAVG: 3829600 25.6469 -3.3389 -36.1108 -4.19257 -4.05229 23.4365 -35.9791 23.2976 7.26134 TIMING: 3829600 CPU: 11128.2, 0.00288797/step Wall: 11128.2, 0.00288797/step, 0.93891 hours remaining, 208.160156 MB of memory in use. ENERGY: 3829600 718.7234 2077.9439 1963.5172 109.4601 -206637.8110 18132.4554 0.0000 0.0000 33972.7592 -149662.9517 296.6926 -183635.7110 -149562.9868 297.9103 163.3949 191.6600 556729.9619 9.5217 9.6187 PRESSURE: 3829800 -74.3585 -153.549 190.221 -153.547 -97.0451 -42.2881 190.223 -42.2864 -93.7386 GPRESSURE: 3829800 -56.0502 -196.505 156.348 -94.4041 -16.8207 25.6138 181.773 -94.7295 -78.3918 PRESSAVG: 3829800 29.382 14.6439 5.8516 14.6439 -3.4619 36.1565 5.8518 36.1564 13.3877 GPRESSAVG: 3829800 29.8138 14.288 4.76614 14.9308 -2.70502 33.914 5.26508 38.9125 12.7726 TIMING: 3829800 CPU: 11128.7, 0.00291353/step Wall: 11128.7, 0.00291353/step, 0.947058 hours remaining, 208.160156 MB of memory in use. ENERGY: 3829800 803.8218 2082.4020 1947.9597 106.9983 -206436.3958 17674.6557 0.0000 0.0000 34075.2768 -149745.2816 297.5879 -183820.5584 -149649.0210 298.0586 -88.3807 -50.4209 555403.4176 13.1026 13.2938 PRESSURE: 3830000 -215.679 -43.72 94.7708 -43.7201 -157.335 59.8894 94.7713 59.8901 -414.659 GPRESSURE: 3830000 -151.875 -85.1824 160.506 -54.1674 -128.523 7.74677 -7.56767 125.014 -402.311 PRESSAVG: 3830000 45.634 -29.9011 -17.759 -29.9011 -4.25339 -0.771914 -17.7589 -0.771968 8.70924 GPRESSAVG: 3830000 45.1633 -29.3453 -14.7776 -29.4045 -3.75574 -0.702052 -20.2688 -1.50135 8.69184 TIMING: 3830000 CPU: 11129.3, 0.0029034/step Wall: 11129.3, 0.0029034/step, 0.943605 hours remaining, 208.160156 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: 3830000 758.4987 2091.7656 1948.6853 113.4933 -206164.1007 17587.9469 0.0000 0.0000 33786.9006 -149876.8103 295.0694 -183663.7109 -149784.8377 297.1376 -262.5578 -227.5694 558944.1381 16.6966 16.6998 PRESSURE: 3830200 -143.852 -75.5666 86.5731 -75.5652 79.7586 -103.667 86.5718 -103.668 189.383 GPRESSURE: 3830200 -93.9487 -125.313 99.8671 -32.5808 161.515 -35.7043 123.563 -173.775 155.271 PRESSAVG: 3830200 41.191 -36.7957 -44.3112 -36.7958 -7.78865 -40.7775 -44.3112 -40.7774 -31.1458 GPRESSAVG: 3830200 42.1814 -36.2658 -43.7628 -37.3323 -8.35984 -40.3915 -43.5984 -42.3454 -30.8757 TIMING: 3830200 CPU: 11129.9, 0.00291641/step Wall: 11129.9, 0.00291641/step, 0.947672 hours remaining, 208.160156 MB of memory in use. ENERGY: 3830200 729.9401 2100.7484 1986.2510 110.2551 -207015.2519 18198.2440 0.0000 0.0000 34129.2125 -149760.6008 298.0589 -183889.8133 -149665.2663 297.9915 41.7633 74.2790 556396.6852 0.7522 0.9819 PRESSURE: 3830400 30.5006 -36.7342 85.7134 -36.7353 43.9894 25.4414 85.7132 25.4428 281.058 GPRESSURE: 3830400 46.6226 -20.4306 12.2208 -67.7576 73.9697 33.1521 78.5835 77.2329 331.779 PRESSAVG: 3830400 3.169 -39.3572 -50.1924 -39.3571 -28.3167 -57.9591 -50.1924 -57.9591 26.7445 GPRESSAVG: 3830400 3.1961 -39.1249 -50.7295 -40.6146 -28.5026 -58.5187 -51.1049 -55.7068 26.7228 TIMING: 3830400 CPU: 11130.5, 0.00289293/step Wall: 11130.5, 0.00289293/step, 0.939882 hours remaining, 208.160156 MB of memory in use. ENERGY: 3830400 742.2483 2089.6670 1979.3887 108.5469 -207047.4172 18256.6141 0.0000 0.0000 34258.7812 -149612.1710 299.1905 -183870.9521 -149515.6199 297.9573 118.5161 150.7906 556430.4188 0.5323 0.4721 PRESSURE: 3830600 -61.6785 -137.134 -188.566 -137.135 -211.692 -9.07229 -188.566 -9.07124 -166.634 GPRESSURE: 3830600 -31.0624 -146.888 -188.254 -150.332 -163.2 -1.47352 -133.464 22.7186 -150.884 PRESSAVG: 3830600 3.05548 -46.1935 -23.6504 -46.1935 -64.6257 2.362 -23.6505 2.36197 82.0455 GPRESSAVG: 3830600 3.01524 -45.6543 -23.2896 -45.0995 -65.3113 1.20936 -22.5704 2.60738 82.2884 TIMING: 3830600 CPU: 11131.1, 0.00291545/step Wall: 11131.1, 0.00291545/step, 0.947034 hours remaining, 208.160156 MB of memory in use. ENERGY: 3830600 762.7398 2060.3037 1987.4802 122.4613 -206420.2166 17714.4575 0.0000 0.0000 34034.9161 -149737.8580 297.2354 -183772.7740 -149640.0563 297.6833 -146.6680 -115.0488 557461.4913 6.8251 6.6641 PRESSURE: 3830800 4.36214 67.6733 -16.4691 67.6747 15.1264 -71.7729 -16.4701 -71.7711 -115.287 GPRESSURE: 3830800 30.3367 102.732 -46.5761 76.3321 66.5988 -72.7227 -1.89922 -17.3395 -95.1147 PRESSAVG: 3830800 -29.5436 -18.6209 -34.627 -18.6208 -2.10489 -28.141 -34.6269 -28.1411 5.48726 GPRESSAVG: 3830800 -30.3392 -19.0751 -36.3855 -18.8514 -0.648124 -27.218 -34.3189 -30.2161 4.66932 TIMING: 3830800 CPU: 11131.7, 0.00290881/step Wall: 11131.7, 0.00290881/step, 0.944715 hours remaining, 208.160156 MB of memory in use. ENERGY: 3830800 719.3499 2053.2628 1958.5930 94.7995 -206501.8254 17774.0534 0.0000 0.0000 34155.6320 -149746.1349 298.2896 -183901.7669 -149651.2444 297.9948 -31.9328 0.6070 556428.9449 -8.7204 -8.7727 PRESSURE: 3831000 12.7882 75.3125 -73.0011 75.3127 163.651 148.895 -73.0027 148.898 62.1346 GPRESSURE: 3831000 38.3358 68.7494 -123.136 137.899 207.131 103.578 -89.9767 157.76 85.1676 PRESSAVG: 3831000 -26.9414 -31.9333 16.2772 -31.9334 56.3971 -2.96247 16.2773 -2.9625 -28.6949 GPRESSAVG: 3831000 -27.6081 -32.508 16.3693 -32.4582 56.1447 -0.954313 16.0906 -1.44452 -27.7651 TIMING: 3831000 CPU: 11132.2, 0.00292317/step Wall: 11132.2, 0.00292317/step, 0.949219 hours remaining, 208.160156 MB of memory in use. ENERGY: 3831000 721.2667 2049.8003 1967.2001 100.2079 -206913.8060 18107.7567 0.0000 0.0000 34251.1669 -149716.4074 299.1240 -183967.5743 -149620.5250 298.2221 79.5245 110.2114 557216.5036 0.2536 0.2572 PRESSURE: 3831200 -33.1537 87.4957 23.2072 87.4953 136.176 -30.6331 23.208 -30.6325 165.818 GPRESSURE: 3831200 14.4469 61.3401 -29.835 81.3457 153.682 -86.597 21.1646 -8.56551 195.366 PRESSAVG: 3831200 -37.2047 26.5827 -2.78613 26.5828 40.4219 -20.3693 -2.78619 -20.3693 20.3193 GPRESSAVG: 3831200 -36.0394 25.2906 -3.61351 26.1498 39.7754 -22.192 -3.34061 -22.3947 19.5989 TIMING: 3831200 CPU: 11132.8, 0.00291604/step Wall: 11132.8, 0.00291604/step, 0.946739 hours remaining, 208.160156 MB of memory in use. ENERGY: 3831200 724.9576 2026.1841 1971.5768 123.9225 -206565.6063 17850.7444 0.0000 0.0000 34054.0326 -149814.1882 297.4023 -183868.2207 -149717.8253 298.1277 89.6134 121.1649 557677.8764 7.8455 7.7783 PRESSURE: 3831400 39.1825 4.06958 52.8067 4.06947 -20.0719 29.9849 52.8053 29.9855 182.652 GPRESSURE: 3831400 67.6724 27.6265 118.172 36.8485 22.6614 62.5046 1.17869 77.4355 211.603 PRESSAVG: 3831400 46.4015 -37.6177 -42.0141 -37.6177 -15.8654 -16.7688 -42.0142 -16.7689 -19.7048 GPRESSAVG: 3831400 45.3808 -37.0015 -41.7786 -35.6647 -17.3181 -14.3818 -41.8224 -15.8751 -17.2778 TIMING: 3831400 CPU: 11133.4, 0.00291385/step Wall: 11133.4, 0.00291385/step, 0.945867 hours remaining, 208.160156 MB of memory in use. ENERGY: 3831400 743.7666 2088.1884 1975.2131 109.9483 -206835.3647 18010.9301 0.0000 0.0000 34169.4936 -149737.8246 298.4107 -183907.3182 -149646.4385 298.1914 67.2542 100.6457 556451.9251 3.6104 3.5950 PRESSURE: 3831600 -160.615 149.605 3.55837 149.606 -188.068 0.0486391 3.55764 0.0495888 4.43153 GPRESSURE: 3831600 -148.19 102.181 -32.4843 231.372 -151.573 9.84975 16.8371 -67.8593 50.3946 PRESSAVG: 3831600 -30.5736 -3.47428 -76.6754 -3.47436 11.6166 -22.4887 -76.6754 -22.4887 1.82933 GPRESSAVG: 3831600 -30.9975 -2.31287 -76.4914 -6.41828 13.5745 -25.0788 -75.9489 -22.9735 0.556451 TIMING: 3831600 CPU: 11134, 0.00291847/step Wall: 11134, 0.00291847/step, 0.947205 hours remaining, 208.160156 MB of memory in use. ENERGY: 3831600 735.3218 2133.4664 1956.6792 114.4733 -206544.6506 17709.3708 0.0000 0.0000 34143.7819 -149751.5571 298.1861 -183895.3390 -149652.8870 297.5023 -114.7505 -83.1226 558071.8680 -5.7092 -5.6222 PRESSURE: 3831800 -68.1756 -6.23857 83.951 -6.23813 14.1134 11.2695 83.9501 11.2688 -160.88 GPRESSURE: 3831800 -5.19701 -22.5629 114.715 160.28 -28.0757 22.2961 111.01 8.53798 -82.2245 PRESSAVG: 3831800 -44.0597 50.9268 78.3592 50.9268 -20.3392 -28.7389 78.3592 -28.7388 25.1055 GPRESSAVG: 3831800 -44.0175 51.2376 78.3301 54.081 -21.5366 -29.8379 78.2214 -27.1141 25.8766 TIMING: 3831800 CPU: 11134.6, 0.00290331/step Wall: 11134.6, 0.00290331/step, 0.942124 hours remaining, 208.160156 MB of memory in use. ENERGY: 3831800 751.3164 2120.5510 1931.6860 122.0345 -206534.7592 17891.8302 0.0000 0.0000 33966.8551 -149750.4858 296.6410 -183717.3409 -149653.9161 297.2419 -71.6475 -38.4990 558944.7338 -13.0978 -13.2258 PRESSURE: 3832000 -356.575 -145.36 -1.7769 -145.361 -138.103 2.30802 -1.77684 2.30684 0.466695 GPRESSURE: 3832000 -345.79 -115.528 -110.621 -198.438 -61.2566 124.087 42.8095 9.82173 13.8493 PRESSAVG: 3832000 51.0403 13.0535 21.1651 13.0535 -44.8454 -5.51855 21.1651 -5.51864 -15.1082 GPRESSAVG: 3832000 51.1309 12.5179 20.1531 10.3999 -43.6368 -2.74178 20.9386 -7.94498 -15.9753 TIMING: 3832000 CPU: 11135.2, 0.00290091/step Wall: 11135.2, 0.00290091/step, 0.941183 hours remaining, 208.160156 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: 3832000 732.8557 2138.2745 1948.6601 112.9728 -206044.1646 17618.0027 0.0000 0.0000 33866.1849 -149627.2138 295.7618 -183493.3987 -149529.7857 297.8994 -164.7370 -131.0656 558696.9246 -2.9711 -2.8271 PRESSURE: 3832200 -126.831 -78.7333 149.261 -78.7338 -38.0789 -6.29492 149.262 -6.29563 -73.3223 GPRESSURE: 3832200 -81.3982 -53.3089 164.245 -126.283 -44.9506 24.2323 155.928 -44.9998 -10.4614 PRESSAVG: 3832200 -20.2682 -19.998 -31.6668 -19.998 -0.740641 17.0535 -31.6668 17.0534 38.8736 GPRESSAVG: 3832200 -20.653 -20.3364 -29.7775 -19.7343 -1.4467 18.5731 -31.6472 17.6194 39.8325 TIMING: 3832200 CPU: 11135.7, 0.00291591/step Wall: 11135.7, 0.00291591/step, 0.945888 hours remaining, 208.160156 MB of memory in use. ENERGY: 3832200 720.1866 2105.5262 1955.6484 116.4678 -206190.9750 17662.6966 0.0000 0.0000 34175.1166 -149455.3330 298.4598 -183630.4495 -149356.2393 298.1880 -79.4106 -45.6034 556961.7447 5.9549 5.9109 LDB: ============= START OF LOAD BALANCING ============== 11139.2 LDB: ============== END OF LOAD BALANCING =============== 11139.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.2 LDB: ============= START OF LOAD BALANCING ============== 11139.5 LDB: Largest compute 4848 load 0.029223 is 24.8% of average load 0.117813 LDB: Average compute 0.001734 is 1.5% of average load 0.117813 LDB: TIME 11139.5 LOAD: AVG 0.117813 MAX 0.182173 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.176 MB LDB: TIME 11139.5 LOAD: AVG 0.117813 MAX 0.182173 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.176 MB LDB: TIME 11139.5 LOAD: AVG 0.117813 MAX 0.182173 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11139.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11139.5 PRESSURE: 3832400 83.8771 22.2602 13.7916 22.2592 -143.096 -50.2704 13.7931 -50.2698 63.1248 GPRESSURE: 3832400 113.303 73.1717 69.5046 -148.464 -108.951 -86.6086 -74.9546 -35.8692 95.849 PRESSAVG: 3832400 1.81001 -2.21342 40.594 -2.21344 -38.8072 -35.7641 40.5939 -35.7642 49.7127 GPRESSAVG: 3832400 1.62532 -1.816 39.5093 -0.73778 -38.8535 -36.839 40.6401 -34.6734 49.1276 TIMING: 3832400 CPU: 11136.3, 0.00295374/step Wall: 11136.3, 0.00295374/step, 0.957995 hours remaining, 208.496094 MB of memory in use. ENERGY: 3832400 696.1357 2078.7241 1945.9503 105.3352 -206477.6762 17876.6629 0.0000 0.0000 34390.3202 -149384.5477 300.3392 -183774.8680 -149285.9757 298.2029 1.3021 33.4005 556335.3923 4.2385 3.9665 PRESSURE: 3832600 66.2988 -61.464 79.2886 -61.4633 -23.0339 44.8496 79.2873 44.8491 204.617 GPRESSURE: 3832600 91.9957 -10.9074 3.78363 -92.3418 -10.2551 29.0369 149.147 54.4391 257.053 PRESSAVG: 3832600 -72.6926 -37.1397 4.82518 -37.1397 -41.4289 -72.9748 4.82518 -72.9749 56.3259 GPRESSAVG: 3832600 -73.3825 -38.1034 3.66705 -36.0448 -40.7185 -75.9371 4.94445 -71.6687 56.5803 TIMING: 3832600 CPU: 11136.9, 0.00287721/step Wall: 11136.9, 0.00287721/step, 0.933014 hours remaining, 208.496094 MB of memory in use. ENERGY: 3832600 755.7474 2089.7176 1931.0165 114.3788 -206536.9388 18173.1985 0.0000 0.0000 34164.5075 -149308.3726 298.3671 -183472.8801 -149222.2008 299.5662 82.6273 112.9313 558912.3052 -19.2652 -19.1736 PRESSURE: 3832800 57.5273 -9.94782 -185.9 -9.94949 -131.71 -65.0236 -185.9 -65.0235 78.7109 GPRESSURE: 3832800 92.3257 -76.5954 -126.997 15.4194 -78.8157 -58.6097 -339.113 -105.194 88.7804 PRESSAVG: 3832800 24.1367 -48.3013 3.63422 -48.3014 -50.2918 -41.2926 3.63432 -41.2927 39.9142 GPRESSAVG: 3832800 25.1927 -46.9817 5.93219 -50.0013 -51.606 -40.3299 2.14699 -41.8944 39.7368 TIMING: 3832800 CPU: 11137.5, 0.00288521/step Wall: 11137.5, 0.00288521/step, 0.93545 hours remaining, 208.496094 MB of memory in use. ENERGY: 3832800 777.1726 2059.5335 1944.5197 105.6883 -206396.3757 18054.0931 0.0000 0.0000 34195.6580 -149259.7104 298.6392 -183455.3684 -149160.5295 298.3890 1.5094 34.0968 558019.1742 4.5864 4.4412 PRESSURE: 3833000 -148.898 62.5064 -23.4329 62.5069 -392.435 171.141 -23.4336 171.141 -83.4798 GPRESSURE: 3833000 -29.4268 66.0322 -8.64517 12.1664 -411.856 199.686 -45.7388 176.311 -84.4022 PRESSAVG: 3833000 -15.0733 -14.3867 -66.4287 -14.3866 17.342 28.8543 -66.4287 28.8544 1.62009 GPRESSAVG: 3833000 -15.2829 -13.2639 -68.9475 -15.3552 19.0964 28.5175 -63.3333 29.5115 0.541829 TIMING: 3833000 CPU: 11138.1, 0.00289983/step Wall: 11138.1, 0.00289983/step, 0.94003 hours remaining, 208.496094 MB of memory in use. ENERGY: 3833000 792.2885 2111.4342 1933.2712 102.4149 -205803.1524 17535.9796 0.0000 0.0000 34025.4552 -149302.3089 297.1528 -183327.7641 -149206.1788 298.7011 -208.2711 -175.2283 558032.6667 1.2963 1.4518 PRESSURE: 3833200 -51.7126 36.1775 -14.0518 36.1803 -218.223 -36.1348 -14.0514 -36.1352 -110.042 GPRESSURE: 3833200 -64.1473 44.5256 -30.0957 88.5889 -161.22 -51.8357 -113.362 27.1546 -53.9688 PRESSAVG: 3833200 59.4572 10.3363 -48.6665 10.3363 -96.5841 63.2796 -48.6665 63.2796 45.1127 GPRESSAVG: 3833200 60.114 9.15656 -46.9868 10.1713 -96.3598 65.2894 -52.7837 62.4851 44.5056 TIMING: 3833200 CPU: 11138.6, 0.00289188/step Wall: 11138.6, 0.00289188/step, 0.93729 hours remaining, 208.496094 MB of memory in use. ENERGY: 3833200 736.9202 2093.2073 1942.0135 106.9196 -206092.2117 17683.3253 0.0000 0.0000 34184.9968 -149344.8289 298.5461 -183529.8257 -149247.2477 298.6208 -126.6592 -93.1121 557123.0421 2.6619 2.7532 PRESSURE: 3833400 -103.964 94.9252 -24.5471 94.925 92.0294 -131.303 -24.5461 -131.304 55.4746 GPRESSURE: 3833400 -79.9303 16.2365 -9.11943 169.414 100.222 -137.3 74.3325 -35.556 110.652 PRESSAVG: 3833400 69.1208 -22.189 14.345 -22.189 -95.2875 33.5553 14.3451 33.5553 -0.670502 GPRESSAVG: 3833400 67.3767 -22.6054 14.6316 -20.7922 -95.4247 32.4941 16.4756 35.0119 1.05254 TIMING: 3833400 CPU: 11139.2, 0.00289574/step Wall: 11139.2, 0.00289574/step, 0.93838 hours remaining, 208.496094 MB of memory in use. ENERGY: 3833400 772.4141 2004.7608 1931.8778 100.1936 -206116.7038 17798.2451 0.0000 0.0000 34208.8642 -149300.3482 298.7545 -183509.2124 -149197.8808 298.5976 14.5132 43.6478 557746.7172 -8.9457 -8.9985 PRESSURE: 3833600 -17.499 -88.7818 -22.557 -88.782 -176.764 -82.8479 -22.5576 -82.8465 -0.991171 GPRESSURE: 3833600 59.0399 -44.4856 -58.7447 -129.412 -150.36 -80.9634 -73.4043 -65.0958 -5.1575 PRESSAVG: 3833600 6.24041 -16.4614 -16.4255 -16.4614 -34.5675 -47.0821 -16.4256 -47.0821 7.26356 GPRESSAVG: 3833600 7.59031 -16.099 -16.5874 -18.6198 -35.492 -46.2829 -16.4194 -49.0908 7.00123 TIMING: 3833600 CPU: 11139.8, 0.0029106/step Wall: 11139.8, 0.0029106/step, 0.943033 hours remaining, 208.496094 MB of memory in use. ENERGY: 3833600 780.5152 2013.0707 1936.8624 109.1603 -206248.0915 17877.0232 0.0000 0.0000 34411.7751 -149119.6845 300.5266 -183531.4596 -149019.4131 299.1352 -65.0849 -32.1590 557916.5739 -7.0212 -6.9668 PRESSURE: 3833800 -14.2636 -22.2346 74.3998 -22.235 -106.204 83.2894 74.3999 83.2896 -348.955 GPRESSURE: 3833800 6.27101 -79.3357 103.011 -15.6844 -46.4618 172.691 -38.8667 86.1245 -329.143 PRESSAVG: 3833800 73.1484 32.5563 -35.5771 32.5563 -16.3686 16.0032 -35.5771 16.0033 -60.5732 GPRESSAVG: 3833800 74.9357 31.1381 -35.7176 34.057 -17.5334 15.8989 -36.6286 14.1817 -60.7976 TIMING: 3833800 CPU: 11140.4, 0.00289112/step Wall: 11140.4, 0.00289112/step, 0.936563 hours remaining, 208.496094 MB of memory in use. ENERGY: 3833800 788.5596 2060.4062 1928.1250 120.7910 -205984.5022 17666.7374 0.0000 0.0000 34368.1521 -149051.7309 300.1456 -183419.8830 -148952.0698 299.5559 -156.4740 -123.1114 557573.8274 -1.2645 -1.1318 PRESSURE: 3834000 149.643 11.3678 -105.098 11.3668 359.027 -217.696 -105.098 -217.695 290.747 GPRESSURE: 3834000 239.775 -18.1075 -69.571 20.5409 323.604 -204.083 -117.446 -238.771 341.964 PRESSAVG: 3834000 37.1157 -19.5881 -13.9486 -19.5881 -14.4486 -61.5208 -13.9486 -61.5207 -17.0445 GPRESSAVG: 3834000 35.4697 -20.2614 -13.3773 -20.5633 -12.8968 -62.197 -14.2772 -61.2502 -16.2726 TIMING: 3834000 CPU: 11141, 0.00288616/step Wall: 11141, 0.00288616/step, 0.934794 hours remaining, 208.496094 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: 3834000 739.2638 2113.1790 1944.5711 118.5260 -206555.5256 18239.7648 0.0000 0.0000 34346.0316 -149054.1893 299.9524 -183400.2210 -148959.6545 299.8897 266.4722 301.7811 556595.2933 1.8742 2.1001 PRESSURE: 3834200 94.2109 71.9757 -56.1115 71.9759 -87.6553 165.429 -56.1117 165.428 -23.1008 GPRESSURE: 3834200 157.162 54.077 61.2582 19.6285 -78.9573 167.29 -77.502 164.801 4.67124 PRESSAVG: 3834200 -31.5952 24.7365 -48.9661 24.7366 -15.1231 -26.9924 -48.9662 -26.9924 75.8901 GPRESSAVG: 3834200 -31.817 23.929 -49.8788 25.5982 -15.4707 -27.5735 -47.0611 -26.2455 76.3215 TIMING: 3834200 CPU: 11141.5, 0.00290512/step Wall: 11141.5, 0.00290512/step, 0.940774 hours remaining, 208.574219 MB of memory in use. ENERGY: 3834200 770.6064 2144.4312 1918.5126 105.9104 -206326.5399 17893.0993 0.0000 0.0000 34286.0300 -149207.9500 299.4284 -183493.9800 -149116.4729 299.9655 -5.5151 27.6253 557300.3217 9.7239 9.6779 PRESSURE: 3834400 12.0473 -74.2866 90.8406 -74.2868 38.295 111.767 90.8412 111.765 80.0857 GPRESSURE: 3834400 46.9355 -78.3301 99.565 -29.2416 51.6155 126.561 34.225 77.8785 135.142 PRESSAVG: 3834400 31.3237 -25.2219 -12.3243 -25.222 -79.0658 -1.00111 -12.3243 -1.00124 30.0456 GPRESSAVG: 3834400 30.7801 -23.0964 -14.2906 -25.2219 -78.4556 -0.807561 -13.4987 -1.34007 30.2256 TIMING: 3834400 CPU: 11142.1, 0.00290113/step Wall: 11142.1, 0.00290113/step, 0.939322 hours remaining, 208.777344 MB of memory in use. ENERGY: 3834400 727.9057 2118.7390 1966.4365 117.8598 -206350.5779 18043.6020 0.0000 0.0000 34014.3365 -149361.6984 297.0557 -183376.0349 -149258.4148 299.5087 43.4760 77.8977 558601.2249 -5.8988 -5.8166 PRESSURE: 3834600 -57.9187 -93.7194 89.6793 -93.7182 -116.523 42.4276 89.6792 42.427 98.8268 GPRESSURE: 3834600 14.4995 -11.8775 72.9015 -90.0583 -71.9682 90.7432 79.0892 -5.25871 76.9666 PRESSAVG: 3834600 37.7094 38.5261 -12.8935 38.5262 -2.49713 19.4388 -12.8935 19.4388 -4.96998 GPRESSAVG: 3834600 38.3172 39.0785 -12.4465 37.8127 -1.76111 20.0533 -11.5018 20.5735 -5.96039 TIMING: 3834600 CPU: 11142.7, 0.00290733/step Wall: 11142.7, 0.00290733/step, 0.941168 hours remaining, 208.777344 MB of memory in use. ENERGY: 3834600 748.4790 2142.8807 1942.6329 114.8020 -206295.6924 17780.4335 0.0000 0.0000 34354.2358 -149212.2286 300.0241 -183566.4644 -149116.1821 298.5805 -25.2049 6.4993 555977.3840 10.0808 10.1986 PRESSURE: 3834800 -177.876 11.0532 -126.65 11.0522 -317.62 24.8851 -126.649 24.8854 11.0872 GPRESSURE: 3834800 -131.848 55.7314 -61.7271 -44.2126 -328.712 5.74238 -60.327 -49.6602 60.8563 PRESSAVG: 3834800 84.4917 4.69367 10.3171 4.69363 -24.7473 2.91003 10.3172 2.91005 -27.0457 GPRESSAVG: 3834800 84.4101 3.21125 11.2563 4.61475 -24.2684 3.20587 8.95309 1.11923 -27.3376 TIMING: 3834800 CPU: 11143.3, 0.00291703/step Wall: 11143.3, 0.00291703/step, 0.944145 hours remaining, 208.777344 MB of memory in use. ENERGY: 3834800 755.0001 2073.2663 1967.3078 113.4956 -205639.8715 17477.3076 0.0000 0.0000 34328.3757 -148925.1184 299.7982 -183253.4941 -148829.4826 299.7538 -161.4697 -133.2345 556955.7356 10.8996 10.9347 PRESSURE: 3835000 -234.786 40.6501 175.936 40.6503 -371.503 -102.214 175.937 -102.213 150.446 GPRESSURE: 3835000 -207.602 60.6671 112.326 -62.35 -291.283 -111.176 236.45 -147.844 146.888 PRESSAVG: 3835000 9.57033 6.9781 65.1788 6.97805 -59.9779 -31.851 65.1788 -31.8509 81.2241 GPRESSAVG: 3835000 9.39871 8.63124 63.8561 6.75914 -60.2747 -32.6197 64.3738 -30.9834 81.6333 TIMING: 3835000 CPU: 11143.9, 0.00289428/step Wall: 11143.9, 0.00289428/step, 0.936621 hours remaining, 208.777344 MB of memory in use. ENERGY: 3835000 761.6426 2109.1968 1965.1021 116.2556 -206053.7760 17596.1308 0.0000 0.0000 34475.4694 -149029.9788 301.0828 -183505.4482 -148936.1380 300.0950 -151.9475 -117.3323 558969.5718 10.2722 10.2524 PRESSURE: 3835200 -188.058 89.4296 140.494 89.4302 -9.7236 184.873 140.495 184.872 -95.7897 GPRESSURE: 3835200 -154.377 62.9907 141.592 57.8469 42.5521 155.42 273.008 227.223 -73.5389 PRESSAVG: 3835200 32.3589 21.3309 35.6631 21.3309 -57.588 30.7822 35.6631 30.7822 37.3032 GPRESSAVG: 3835200 32.3449 20.0611 37.2342 23.426 -57.3796 30.7867 37.4565 31.1457 37.0349 TIMING: 3835200 CPU: 11144.4, 0.00290883/step Wall: 11144.4, 0.00290883/step, 0.941168 hours remaining, 208.777344 MB of memory in use. ENERGY: 3835200 752.5303 2133.5590 1952.5730 100.7898 -205848.3804 17613.3200 0.0000 0.0000 34291.5311 -149004.0772 299.4765 -183295.6084 -148905.8816 299.4444 -97.8571 -61.7880 556626.2109 4.0247 4.0001 PRESSURE: 3835400 -377.699 143.271 65.1566 143.272 -65.9566 171.231 65.1576 171.233 -133.502 GPRESSURE: 3835400 -345.216 142.485 33.6132 93.527 -43.6759 170.28 99.0077 151.676 -88.4437 PRESSAVG: 3835400 -16.932 11.3227 -10.4759 11.3227 21.6865 42.1146 -10.4759 42.1146 43.591 GPRESSAVG: 3835400 -16.6697 12.0259 -11.7265 11.2699 21.4691 40.254 -11.8785 42.9136 43.6737 TIMING: 3835400 CPU: 11145, 0.00291191/step Wall: 11145, 0.00291191/step, 0.942003 hours remaining, 208.777344 MB of memory in use. ENERGY: 3835400 765.7368 2127.3295 1944.1693 102.4951 -205909.2802 17561.9462 0.0000 0.0000 34422.8964 -148984.7069 300.6237 -183407.6033 -148894.8915 300.3497 -192.3858 -159.1118 558721.9880 16.1152 16.1577 PRESSURE: 3835600 -299.724 -178.252 240.007 -178.252 -119.997 135.955 240.008 135.955 -38.3026 GPRESSURE: 3835600 -235.558 -179.425 295.2 -196.006 -65.052 113.39 220.464 133.227 -59.5715 PRESSAVG: 3835600 -67.5045 -9.76688 9.04243 -9.7669 12.5393 0.421865 9.04239 0.421869 25.369 GPRESSAVG: 3835600 -67.4813 -9.77373 9.64997 -9.4307 12.7362 0.747913 9.521 -0.558209 25.4218 TIMING: 3835600 CPU: 11145.6, 0.00290588/step Wall: 11145.6, 0.00290588/step, 0.93989 hours remaining, 208.777344 MB of memory in use. ENERGY: 3835600 732.0871 2116.0287 1947.4559 112.8169 -205483.2496 17494.6089 0.0000 0.0000 34327.0109 -148753.2413 299.7863 -183080.2521 -148651.9672 299.7930 -152.6746 -120.0605 558974.1200 -9.8654 -9.7744 PRESSURE: 3835800 105.656 -39.3523 47.8696 -39.3524 123.102 125.746 47.8695 125.747 135.573 GPRESSURE: 3835800 137.049 3.5627 96.6759 -75.3846 173.934 169.281 8.26962 85.1877 135.317 PRESSAVG: 3835800 20.2425 13.8712 19.5818 13.8712 -19.4238 11.4613 19.5818 11.4614 29.9861 GPRESSAVG: 3835800 21.3888 12.1782 19.7474 12.8029 -18.7979 11.2798 19.4154 13.1239 29.2616 TIMING: 3835800 CPU: 11146.2, 0.00290269/step Wall: 11146.2, 0.00290269/step, 0.938697 hours remaining, 208.777344 MB of memory in use. ENERGY: 3835800 728.4430 2102.1701 1964.1583 101.6137 -205909.1730 17892.9661 0.0000 0.0000 34333.5985 -148786.2233 299.8439 -183119.8219 -148685.4901 300.3842 121.4439 148.7666 558837.2785 10.2682 10.6175 PRESSURE: 3836000 -338.109 -39.8581 -102.714 -39.8578 -125.005 125.201 -102.713 125.2 12.6205 GPRESSURE: 3836000 -318.186 -35.0634 -179.853 -114.271 -90.8175 126.688 -117.75 84.9808 59.162 PRESSAVG: 3836000 -8.40674 34.2018 -17.0998 34.2018 -55.3933 48.02 -17.0998 48.02 23.3683 GPRESSAVG: 3836000 -9.94792 37.9652 -16.7147 32.5403 -56.1719 48.4714 -19.6401 46.0314 25.4096 TIMING: 3836000 CPU: 11146.8, 0.0028941/step Wall: 11146.8, 0.0028941/step, 0.935758 hours remaining, 208.777344 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: 3836000 786.0798 2085.9341 1931.1756 122.2942 -205985.3626 17639.9126 0.0000 0.0000 34449.5315 -148970.4346 300.8563 -183419.9661 -148868.0405 300.0800 -150.1645 -116.6138 559201.5352 -13.4773 -13.5701 PRESSURE: 3836200 -450.272 83.207 -27.051 83.2071 -248.972 -90.634 -27.0513 -90.6344 -223.524 GPRESSURE: 3836200 -358.405 123.374 -14.1126 55.0515 -255.131 -123.46 11.1713 -95.9007 -223.644 PRESSAVG: 3836200 6.03288 27.6009 -15.9325 27.601 38.8392 -14.8875 -15.9325 -14.8875 -25.7069 GPRESSAVG: 3836200 7.10374 23.9553 -17.5134 28.8491 38.1414 -14.8424 -14.0876 -13.086 -26.5313 TIMING: 3836200 CPU: 11147.3, 0.00289535/step Wall: 11147.3, 0.00289535/step, 0.936001 hours remaining, 208.777344 MB of memory in use. ENERGY: 3836200 755.0297 2101.0376 1944.1427 113.8202 -205548.6909 17358.7840 0.0000 0.0000 34484.0869 -148791.7897 301.1581 -183275.8766 -148692.2783 300.0241 -307.5896 -279.0600 558382.6646 6.3884 6.2379 LDB: ============= START OF LOAD BALANCING ============== 11150.8 LDB: ============== END OF LOAD BALANCING =============== 11150.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11150.8 LDB: ============= START OF LOAD BALANCING ============== 11151.1 LDB: Largest compute 4848 load 0.029003 is 24.6% of average load 0.117809 LDB: Average compute 0.001728 is 1.5% of average load 0.117809 LDB: TIME 11151.1 LOAD: AVG 0.117809 MAX 0.182049 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.473 MB LDB: TIME 11151.1 LOAD: AVG 0.117809 MAX 0.182049 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.605 MB LDB: TIME 11151.1 LOAD: AVG 0.117809 MAX 0.182049 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.605 MB LDB: ============== END OF LOAD BALANCING =============== 11151.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11151.1 PRESSURE: 3836400 -107.278 -18.022 -101.361 -18.0223 39.3713 -33.2643 -101.361 -33.2632 55.5382 GPRESSURE: 3836400 -86.6528 -29.3251 -105.745 37.4933 102.466 -34.9137 -14.1097 -45.3022 71.1434 PRESSAVG: 3836400 -49.0853 12.8963 -28.1735 12.8963 75.4813 1.2599 -28.1735 1.2599 -21.5598 GPRESSAVG: 3836400 -49.069 13.719 -28.5914 14.9782 76.0517 0.754691 -26.5571 1.68652 -21.7074 TIMING: 3836400 CPU: 11147.9, 0.00294506/step Wall: 11147.9, 0.00294506/step, 0.95191 hours remaining, 206.375000 MB of memory in use. ENERGY: 3836400 703.0233 2089.5459 1935.4440 116.2342 -205814.6296 17690.9246 0.0000 0.0000 34298.0047 -148981.4529 299.5330 -183279.4577 -148889.9408 299.9170 -4.1227 28.9855 557017.7148 1.6121 1.7584 PRESSURE: 3836600 136.236 -17.1072 -15.0177 -17.1082 -155.087 100.734 -15.0187 100.734 33.9228 GPRESSURE: 3836600 182.358 -70.8414 -18.3649 -27.7445 -149.142 186.718 -65.4834 135.205 74.8094 PRESSAVG: 3836600 8.05864 49.6824 -53.1532 49.6825 -43.6219 -23.3302 -53.1532 -23.3303 14.0086 GPRESSAVG: 3836600 7.66406 51.6878 -50.5437 47.9992 -43.9961 -23.3592 -55.4938 -25.6085 14.5749 TIMING: 3836600 CPU: 11148.5, 0.00288427/step Wall: 11148.5, 0.00288427/step, 0.9321 hours remaining, 206.578125 MB of memory in use. ENERGY: 3836600 760.9592 2150.9333 1983.7812 107.6027 -206028.6975 17884.0954 0.0000 0.0000 34257.7785 -148883.5471 299.1817 -183141.3256 -148788.1695 299.5611 5.0238 36.0085 558146.1437 -7.1849 -7.2524 PRESSURE: 3836800 -111.595 41.851 -222.636 41.8505 -93.854 -144.805 -222.636 -144.804 30.4285 GPRESSURE: 3836800 -62.6704 -40.751 -168.616 79.6843 -79.6129 -105.218 -283.022 -87.0987 56.9058 PRESSAVG: 3836800 10.5908 -60.938 -30.2666 -60.9381 51.6683 26.5075 -30.2665 26.5075 -45.8571 GPRESSAVG: 3836800 10.3805 -63.3246 -31.5578 -60.3979 51.8542 27.4678 -27.8103 27.0731 -45.6653 TIMING: 3836800 CPU: 11149.1, 0.00289006/step Wall: 11149.1, 0.00289005/step, 0.933809 hours remaining, 206.578125 MB of memory in use. ENERGY: 3836800 776.3707 2092.2942 1989.6586 109.3287 -205619.8834 17750.5802 0.0000 0.0000 34152.6479 -148749.0031 298.2636 -182901.6510 -148652.1620 299.7546 -58.3400 -28.4592 559833.3553 5.4673 5.5231 PRESSURE: 3837000 -230.156 56.9442 -101.902 56.9432 -274.276 -22.8799 -101.901 -22.8794 65.3943 GPRESSURE: 3837000 -182.946 -57.7007 -107.63 37.0898 -278.653 -28.2264 -58.2094 12.359 114.523 PRESSAVG: 3837000 0.313643 -3.09155 -53.5195 -3.09163 -8.32562 -4.03693 -53.5195 -4.03699 14.6558 GPRESSAVG: 3837000 0.878421 -2.35079 -52.5436 -3.96074 -9.26921 -5.1705 -54.5043 -4.73943 14.885 TIMING: 3837000 CPU: 11149.7, 0.00290191/step Wall: 11149.7, 0.00290191/step, 0.937479 hours remaining, 206.578125 MB of memory in use. ENERGY: 3837000 778.9059 2008.2938 1964.1854 106.9124 -205952.3731 17657.7445 0.0000 0.0000 34459.4226 -148976.9086 300.9427 -183436.3312 -148875.9985 300.1875 -146.3461 -115.6920 557767.6345 2.2146 2.1647 PRESSURE: 3837200 -58.3106 -14.0654 -13.2222 -14.0661 -101.96 174.334 -13.2218 174.333 38.9034 GPRESSURE: 3837200 0.0248874 -0.0158974 56.3594 10.9361 -66.878 170.553 -96.8436 170.534 50.5683 PRESSAVG: 3837200 16.2818 21.5988 -19.3173 21.5988 21.3347 -15.3641 -19.3173 -15.364 -1.05817 GPRESSAVG: 3837200 15.7274 21.9188 -21.1961 21.9571 22.6634 -15.4985 -16.0359 -12.3025 -2.24108 TIMING: 3837200 CPU: 11150.2, 0.00287747/step Wall: 11150.2, 0.00287747/step, 0.929423 hours remaining, 206.578125 MB of memory in use. ENERGY: 3837200 728.6806 2130.2636 1982.1365 114.6074 -205814.4041 17594.7976 0.0000 0.0000 34280.4593 -148983.4591 299.3798 -183263.9184 -148892.9928 300.6172 -40.4559 -5.4283 557368.6123 12.1861 12.0499 PRESSURE: 3837400 129.665 8.02801 -170.248 8.02932 18.672 0.243741 -170.248 0.243209 -16.2112 GPRESSURE: 3837400 166.312 30.0094 -175.057 -27.9603 -1.41496 -95.7429 -181.071 48.4505 69.8787 PRESSAVG: 3837400 8.86308 27.1185 -16.1474 27.1186 18.652 32.6097 -16.1474 32.6096 -9.27337 GPRESSAVG: 3837400 9.04783 25.6346 -16.2323 27.5327 17.8209 32.7837 -19.8763 30.3342 -8.96727 TIMING: 3837400 CPU: 11150.8, 0.00288613/step Wall: 11150.8, 0.00288613/step, 0.932059 hours remaining, 206.578125 MB of memory in use. ENERGY: 3837400 734.3054 2077.9392 1973.1125 101.7766 -206252.4919 17988.9531 0.0000 0.0000 34276.1522 -149100.2530 299.3422 -183376.4052 -148998.4388 299.9652 44.0419 78.2587 558010.8230 6.0806 5.9671 PRESSURE: 3837600 71.8671 -100.16 136.781 -100.16 -317.354 17.0365 136.78 17.036 -177.589 GPRESSURE: 3837600 10.3189 -70.1021 96.6256 -59.1522 -227.806 17.0875 91.6667 49.4228 -111.134 PRESSAVG: 3837600 67.9685 48.9337 -29.9373 48.9337 -34.1847 -14.0769 -29.9373 -14.0768 -37.8896 GPRESSAVG: 3837600 67.4659 48.6699 -28.9431 51.5054 -32.9044 -13.6873 -29.6364 -13.3288 -38.499 TIMING: 3837600 CPU: 11151.4, 0.002904/step Wall: 11151.4, 0.002904/step, 0.937669 hours remaining, 206.578125 MB of memory in use. ENERGY: 3837600 785.9817 2145.9086 1952.5878 123.0956 -206306.2079 17766.5814 0.0000 0.0000 34296.7622 -149235.2907 299.5222 -183532.0529 -149137.0802 298.7184 -141.0251 -109.5404 558136.6905 -1.3686 -1.3125 PRESSURE: 3837800 -123.245 124.174 -19.8841 124.174 -41.0686 -187.589 -19.8834 -187.59 -412.357 GPRESSURE: 3837800 -35.4138 69.0374 96.4614 147.719 -71.1527 -210.836 -105.477 -201.735 -378.662 PRESSAVG: 3837800 84.14 19.9785 15.6613 19.9784 -46.5014 -37.5165 15.6613 -37.5166 -32.9969 GPRESSAVG: 3837800 85.2971 21.0058 16.592 17.0138 -47.4725 -36.8229 15.7652 -39.5383 -33.1964 TIMING: 3837800 CPU: 11152, 0.00291897/step Wall: 11152, 0.00291897/step, 0.942342 hours remaining, 206.578125 MB of memory in use. ENERGY: 3837800 748.1684 2053.5488 1956.2212 107.1052 -206438.8860 17820.5544 0.0000 0.0000 34389.3979 -149363.8901 300.3312 -183753.2880 -149264.4724 299.0830 -192.2237 -161.7429 559229.2481 1.5472 1.5428 PRESSURE: 3838000 -50.3693 -77.5028 -13.5156 -77.5045 -126.276 -27.0107 -13.5154 -27.0103 99.1262 GPRESSURE: 3838000 0.94778 -8.89561 43.9511 -49.6599 -107.475 -40.1893 -35.1153 -67.8236 135.107 PRESSAVG: 3838000 -12.8248 36.7838 -2.094 36.7838 41.0224 17.2389 -2.09391 17.2389 -12.2892 GPRESSAVG: 3838000 -12.6878 36.4057 -2.54686 38.2768 39.7379 16.7401 -1.82767 17.47 -11.0523 TIMING: 3838000 CPU: 11152.6, 0.00290173/step Wall: 11152.6, 0.00290173/step, 0.936615 hours remaining, 206.578125 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: 3838000 754.6200 2140.7828 1978.6680 117.9420 -205998.4753 17850.3503 0.0000 0.0000 33957.0930 -149199.0192 296.5557 -183156.1123 -149105.3405 298.7474 -25.8399 9.5265 558796.5416 5.3028 5.3326 PRESSURE: 3838200 0.182848 122.128 -140.887 122.128 -66.1633 48.0563 -140.889 48.0577 -89.1806 GPRESSURE: 3838200 7.54014 91.0408 -115.061 72.2445 -41.5102 45.2997 -189.784 16.2863 -24.1797 PRESSAVG: 3838200 22.4558 -14.6551 -0.910877 -14.6551 -3.82247 -30.8701 -0.910775 -30.8701 -4.03925 GPRESSAVG: 3838200 21.4562 -13.6531 -2.1393 -15.4544 -1.67185 -31.6838 -0.21213 -30.155 -5.18205 TIMING: 3838200 CPU: 11153.1, 0.00291604/step Wall: 11153.1, 0.00291604/step, 0.941071 hours remaining, 206.578125 MB of memory in use. ENERGY: 3838200 764.1561 2123.8940 1963.1330 117.6277 -206066.9420 17804.3380 0.0000 0.0000 34274.4643 -149019.3289 299.3274 -183293.7933 -148915.3157 299.1911 -51.7203 -19.3832 560013.7002 4.8647 4.8674 PRESSURE: 3838400 -61.6905 31.5359 -141.467 31.5359 -202.037 61.8356 -141.466 61.837 18.3862 GPRESSURE: 3838400 26.3406 -47.1291 -102.458 61.0116 -195.043 -17.6073 -112.394 68.584 13.2948 PRESSAVG: 3838400 -57.291 46.3297 -18.7978 46.3298 8.15 -36.1435 -18.7978 -36.1436 58.2039 GPRESSAVG: 3838400 -57.0448 44.1634 -18.5208 48.4961 7.42727 -34.8975 -20.0186 -36.3918 58.6931 TIMING: 3838400 CPU: 11153.7, 0.00291543/step Wall: 11153.7, 0.00291543/step, 0.940712 hours remaining, 206.789062 MB of memory in use. ENERGY: 3838400 738.7107 2089.3539 1968.8725 110.9978 -205829.7784 17613.0514 0.0000 0.0000 34481.8032 -148826.9890 301.1382 -183308.7922 -148727.8049 300.2771 -81.7804 -51.8026 559031.7931 3.0210 3.0252 PRESSURE: 3838600 -158.039 -113.48 -60.2734 -113.481 82.6353 26.3979 -60.2731 26.399 -18.6976 GPRESSURE: 3838600 -148.729 -89.3224 -63.4325 -114.123 104.098 -11.405 -22.657 40.8147 43.3344 PRESSAVG: 3838600 -17.6017 41.549 9.47188 41.549 1.67708 -49.0752 9.47193 -49.0751 -0.945808 GPRESSAVG: 3838600 -18.2967 42.8864 10.7461 40.4131 2.05961 -50.5323 9.41509 -50.3192 -0.511959 TIMING: 3838600 CPU: 11154.3, 0.00291923/step Wall: 11154.3, 0.00291923/step, 0.941776 hours remaining, 206.789062 MB of memory in use. ENERGY: 3838600 708.9793 2129.1079 1963.1782 117.4958 -205806.7236 17752.0112 0.0000 0.0000 34303.5109 -148832.4404 299.5811 -183135.9512 -148733.4649 300.9716 -31.3670 -0.4325 558269.9923 -5.6235 -5.5830 PRESSURE: 3838800 96.2985 -72.5979 -37.7781 -72.5977 -76.7554 -13.496 -37.7786 -13.4931 26.8677 GPRESSURE: 3838800 115.791 -90.5299 -13.26 -23.273 -14.9863 -44.1158 -19.8965 91.9257 25.4948 PRESSAVG: 3838800 26.9817 -49.6094 12.4931 -49.6095 -11.164 60.0879 12.4931 60.0878 -7.38501 GPRESSAVG: 3838800 28.3604 -50.0143 12.4696 -50.3374 -11.7748 59.3257 12.7916 62.4131 -8.033 TIMING: 3838800 CPU: 11154.9, 0.00293052/step Wall: 11154.9, 0.00293052/step, 0.945255 hours remaining, 206.789062 MB of memory in use. ENERGY: 3838800 714.9028 2088.7112 1988.8466 111.1956 -205865.5071 17611.7599 0.0000 0.0000 34457.4522 -148892.6388 300.9255 -183350.0910 -148791.4641 299.8830 15.4703 42.0998 556942.9615 2.8109 2.8509 PRESSURE: 3839000 -73.8606 102.763 -157.89 102.765 83.7255 -99.8207 -157.89 -99.8207 -37.4622 GPRESSURE: 3839000 -74.4422 60.518 -185.28 118.894 177.099 -149.678 -141.081 -72.7249 -44.0936 PRESSAVG: 3839000 -27.8438 5.2526 33.8972 5.25261 43.7943 -3.89588 33.8972 -3.89579 -21.0605 GPRESSAVG: 3839000 -28.2173 4.13113 33.3891 6.55039 44.2939 -3.18164 32.3911 -4.88746 -21.084 TIMING: 3839000 CPU: 11155.5, 0.00291594/step Wall: 11155.5, 0.00291594/step, 0.94039 hours remaining, 206.789062 MB of memory in use. ENERGY: 3839000 748.4659 2130.9250 1958.4635 116.2421 -206027.5669 17777.9507 0.0000 0.0000 34336.5698 -148958.9499 299.8698 -183295.5197 -148864.4524 299.9439 -9.1991 19.5211 558313.0457 -1.7033 -1.6691 PRESSURE: 3839200 -165.641 175.538 100.071 175.536 -134.16 -80.9551 100.071 -80.9554 -12.5824 GPRESSURE: 3839200 -120.551 203.834 161.802 93.1716 -100.363 -122.858 16.8646 -157.63 16.9077 PRESSAVG: 3839200 25.0816 10.4158 13.5107 10.4159 -51.0212 -69.1648 13.5107 -69.1647 -16.0916 GPRESSAVG: 3839200 25.2935 11.9042 14.7553 9.66808 -51.4762 -68.6519 13.0593 -71.2968 -15.9482 TIMING: 3839200 CPU: 11156.1, 0.00292712/step Wall: 11156.1, 0.00292712/step, 0.943834 hours remaining, 206.789062 MB of memory in use. ENERGY: 3839200 737.3909 2078.0535 1966.0780 116.9162 -206290.3984 17923.7527 0.0000 0.0000 34255.1051 -149213.1019 299.1584 -183468.2070 -149122.9330 299.5200 -104.1277 -68.0019 559868.8901 -14.0104 -14.0437 PRESSURE: 3839400 170.728 27.1367 43.9114 27.1368 185.119 -4.31042 43.9112 -4.31002 -211.573 GPRESSURE: 3839400 162.46 3.97447 50.7298 20.3835 193.808 115.337 133.49 -43.5561 -119.324 PRESSAVG: 3839400 39.7931 37.8629 75.4083 37.8627 -7.994 9.96802 75.4082 9.96807 -61.8058 GPRESSAVG: 3839400 39.7475 38.7319 75.1968 37.4582 -7.12939 8.33837 77.8197 12.5768 -62.524 TIMING: 3839400 CPU: 11156.7, 0.00291949/step Wall: 11156.7, 0.00291949/step, 0.941212 hours remaining, 206.789062 MB of memory in use. ENERGY: 3839400 718.0499 2047.8639 1964.7791 119.6562 -206265.4008 17923.8901 0.0000 0.0000 34405.4184 -149085.7431 300.4711 -183491.1616 -148985.3531 298.7904 48.0915 78.9814 560412.3521 -10.0022 -9.9686 PRESSURE: 3839600 -193.794 10.0524 -246.478 10.0524 -12.2996 -30.5092 -246.479 -30.5096 -190.325 GPRESSURE: 3839600 -154.512 86.9725 -166.065 -45.3057 20.1995 28.0596 -268.436 -102.342 -162.305 PRESSAVG: 3839600 1.41761 -48.9527 14.2717 -48.9528 16.2884 -46.9177 14.2716 -46.9176 -24.7671 GPRESSAVG: 3839600 1.51641 -50.5945 13.5948 -47.444 16.061 -46.9397 14.3577 -47.1569 -24.2354 TIMING: 3839600 CPU: 11157.2, 0.00292285/step Wall: 11157.2, 0.00292285/step, 0.942133 hours remaining, 206.789062 MB of memory in use. ENERGY: 3839600 771.9080 2104.7983 1966.3897 111.6152 -206067.6756 17807.7254 0.0000 0.0000 34396.9596 -148908.2793 300.3972 -183305.2389 -148811.0000 299.3563 -132.1396 -98.8725 559730.9028 -2.3537 -2.2193 PRESSURE: 3839800 -250.78 159.318 -63.2039 159.32 -292.69 4.41608 -63.2054 4.41772 157.264 GPRESSURE: 3839800 -260.441 124.451 -104.957 286.73 -248.086 22.2935 -80.0827 -39.1631 217.168 PRESSAVG: 3839800 45.299 48.824 -32.7306 48.824 -54.1841 -30.728 -32.7307 -30.728 18.5205 GPRESSAVG: 3839800 45.6539 50.566 -35.8191 46.6414 -54.3919 -31.226 -33.3096 -28.8811 18.5649 TIMING: 3839800 CPU: 11157.8, 0.00292173/step Wall: 11157.8, 0.00292173/step, 0.94161 hours remaining, 206.789062 MB of memory in use. ENERGY: 3839800 775.5781 2101.7830 1963.3258 108.9240 -205779.6414 17595.9449 0.0000 0.0000 34360.6284 -148873.4571 300.0799 -183234.0855 -148776.6145 299.9716 -128.7353 -97.1199 560204.6661 3.2118 3.2756 PRESSURE: 3840000 99.6582 107.318 -33.9653 107.319 -203.094 35.5055 -33.9646 35.5064 -64.3237 GPRESSURE: 3840000 150.196 87.1178 29.4582 114.932 -170.433 22.0703 -52.2112 24.2413 -46.6335 PRESSAVG: 3840000 -50.1072 19.3345 -38.5163 19.3345 -7.36722 -58.7451 -38.5163 -58.7451 51.7225 GPRESSAVG: 3840000 -49.4815 18.5432 -37.7059 21.9164 -7.54539 -56.9043 -37.5944 -59.899 51.5108 TIMING: 3840000 CPU: 11158.4, 0.00294701/step Wall: 11158.4, 0.00294701/step, 0.949592 hours remaining, 206.789062 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: 3840000 739.7140 2115.2954 1950.6564 119.4718 -205715.5972 17631.8342 0.0000 0.0000 34296.1411 -148862.4842 299.5167 -183158.6254 -148770.4127 299.8330 -55.9198 -22.2903 558442.3698 -1.9173 -1.8387 PRESSURE: 3840200 57.7632 -291.396 -30.0405 -291.396 149.701 -57.1205 -30.0409 -57.1213 -223.293 GPRESSURE: 3840200 84.8602 -248.751 -21.3433 -260.232 154.217 -50.0402 41.1369 -108.258 -169.508 PRESSAVG: 3840200 38.2977 2.8874 18.3521 2.88738 -50.6861 -39.6199 18.352 -39.6199 7.00373 GPRESSAVG: 3840200 36.7303 2.53554 19.5394 2.51847 -49.1623 -39.1193 17.2897 -42.9366 6.64963 TIMING: 3840200 CPU: 11159, 0.00293401/step Wall: 11159, 0.00293401/step, 0.945241 hours remaining, 206.789062 MB of memory in use. ENERGY: 3840200 738.1124 2132.5171 1960.9177 111.9221 -205954.5408 17827.9217 0.0000 0.0000 34237.8267 -148945.3231 299.0075 -183183.1498 -148859.0369 299.4514 -5.2765 23.1897 558342.6257 -1.7949 -1.9275 LDB: ============= START OF LOAD BALANCING ============== 11162.5 LDB: ============== END OF LOAD BALANCING =============== 11162.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.5 LDB: ============= START OF LOAD BALANCING ============== 11162.8 LDB: Largest compute 4848 load 0.028863 is 24.5% of average load 0.117831 LDB: Average compute 0.001727 is 1.5% of average load 0.117831 LDB: TIME 11162.8 LOAD: AVG 0.117831 MAX 0.181153 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.703 MB LDB: TIME 11162.8 LOAD: AVG 0.117831 MAX 0.181153 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: TIME 11162.8 LOAD: AVG 0.117831 MAX 0.181153 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11162.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11162.8 PRESSURE: 3840400 -321.719 101.419 90.6173 101.418 -154.073 -52.9296 90.6182 -52.9317 -279.132 GPRESSURE: 3840400 -271.29 86.7221 67.2174 89.2201 -108.795 13.4438 86.8012 -53.2047 -277.237 PRESSAVG: 3840400 -16.5162 -34.6063 -11.2361 -34.6062 35.9734 0.737619 -11.2362 0.737555 -17.3448 GPRESSAVG: 3840400 -15.3516 -35.9636 -10.2039 -32.8734 33.2325 -1.84177 -11.1733 3.80532 -15.9337 TIMING: 3840400 CPU: 11159.6, 0.00298611/step Wall: 11159.6, 0.00298611/step, 0.961859 hours remaining, 207.843750 MB of memory in use. ENERGY: 3840400 780.8866 2089.4992 1989.7037 104.3798 -205717.9761 17413.7382 0.0000 0.0000 34391.7879 -148947.9807 300.3520 -183339.7686 -148845.4739 299.7681 -251.6412 -219.1075 558755.7322 0.7042 0.6491 PRESSURE: 3840600 -9.76744 37.2746 -68.5842 37.2749 -152.123 -49.5702 -68.5843 -49.5706 -104.54 GPRESSURE: 3840600 13.4625 -16.5611 -99.0641 99.3785 -82.4537 35.062 -51.9986 -146.584 -110.39 PRESSAVG: 3840600 12.8129 12.0342 -44.7621 12.0342 58.6458 23.7829 -44.762 23.7828 -61.0109 GPRESSAVG: 3840600 12.178 12.2558 -44.2145 12.0094 60.3215 23.9367 -43.6317 23.7452 -62.7606 TIMING: 3840600 CPU: 11160.2, 0.00292043/step Wall: 11160.2, 0.00292043/step, 0.940539 hours remaining, 208.046875 MB of memory in use. ENERGY: 3840600 761.9400 2172.1648 1988.7960 114.9334 -206030.6156 17661.9408 0.0000 0.0000 34351.9670 -148978.8736 300.0043 -183330.8406 -148885.6995 299.9192 -88.8101 -59.7936 557026.1834 3.4826 3.2463 PRESSURE: 3840800 -110.967 7.81169 -28.4163 7.81115 -93.4469 12.2359 -28.4177 12.2357 -138.417 GPRESSURE: 3840800 -36.1225 46.1319 -16.8054 -7.79077 -110.141 3.25669 4.85698 30.0968 -99.9855 PRESSAVG: 3840800 42.817 11.685 -18.589 11.685 39.3545 54.6197 -18.589 54.6195 -116.648 GPRESSAVG: 3840800 43.3301 11.415 -17.7834 10.1687 39.2556 55.0741 -19.5158 53.8447 -116.607 TIMING: 3840800 CPU: 11160.8, 0.00290849/step Wall: 11160.8, 0.00290849/step, 0.936532 hours remaining, 208.046875 MB of memory in use. ENERGY: 3840800 750.9508 2036.5847 1955.8482 112.4035 -205748.2760 17665.4359 0.0000 0.0000 34370.4724 -148856.5805 300.1659 -183227.0530 -148763.6131 299.8206 -114.2769 -82.0831 559693.5280 -11.4923 -11.3406 PRESSURE: 3841000 -0.416672 50.9031 91.0602 50.9032 -108.101 4.19021 91.0597 4.18973 -110.379 GPRESSURE: 3841000 -0.176342 97.6137 155.091 97.2023 -45.6713 -17.2439 62.3456 11.0803 -67.2804 PRESSAVG: 3841000 -15.9629 6.29071 7.83767 6.29079 -4.03231 -38.3855 7.83763 -38.3855 29.6101 GPRESSAVG: 3841000 -16.5809 7.58403 7.3278 6.66496 -4.99794 -38.042 8.64934 -38.9566 31.0985 TIMING: 3841000 CPU: 11161.3, 0.00289804/step Wall: 11161.3, 0.00289804/step, 0.933006 hours remaining, 208.046875 MB of memory in use. ENERGY: 3841000 749.5284 2130.4437 1935.3438 124.5647 -205761.8884 17637.2689 0.0000 0.0000 34438.5789 -148746.1600 300.7607 -183184.7389 -148643.7620 299.5384 -72.9654 -37.7094 559257.6339 3.2050 3.1732 PRESSURE: 3841200 -244.376 53.7431 -91.3031 53.7425 -273.449 4.42855 -91.3026 4.42755 194.075 GPRESSURE: 3841200 -207.848 20.6207 -109.885 127.923 -168.557 -27.9067 -52.2907 13.1599 153.155 PRESSAVG: 3841200 -26.7164 69.5656 48.2711 69.5656 41.3059 7.5134 48.2711 7.51346 23.7191 GPRESSAVG: 3841200 -26.5872 68.5318 48.7679 69.6545 41.7216 6.63784 46.753 8.06634 22.8493 TIMING: 3841200 CPU: 11161.9, 0.00291504/step Wall: 11161.9, 0.00291504/step, 0.938317 hours remaining, 208.117188 MB of memory in use. ENERGY: 3841200 743.6874 2141.9762 1953.5094 115.5601 -205454.2647 17536.9052 0.0000 0.0000 34051.6236 -148911.0028 297.3813 -182962.6264 -148817.9328 299.5943 -107.9166 -74.4166 559505.6331 12.7695 12.6612 PRESSURE: 3841400 145.717 -55.327 164.881 -55.3259 1.68764 51.6434 164.881 51.6431 116.623 GPRESSURE: 3841400 160.985 -69.5589 173.998 -36.0509 43.1865 -10.0993 168.137 110.99 148.482 PRESSAVG: 3841400 -20.814 42.322 19.9476 42.322 -15.8428 9.9958 19.9475 9.99586 54.0912 GPRESSAVG: 3841400 -20.6608 42.3996 20.0237 42.0792 -16.325 8.54895 19.4949 11.2816 54.296 TIMING: 3841400 CPU: 11162.5, 0.00294616/step Wall: 11162.5, 0.00294616/step, 0.948174 hours remaining, 208.117188 MB of memory in use. ENERGY: 3841400 792.6198 2080.4444 1928.5451 106.5394 -206356.7613 17997.0620 0.0000 0.0000 34404.0861 -149047.4644 300.4594 -183451.5505 -148954.9995 299.3049 88.0091 117.5511 557024.4348 5.8114 5.7701 PRESSURE: 3841600 96.9089 62.0282 -41.815 62.0275 -5.45583 34.8705 -41.8153 34.8704 238.195 GPRESSURE: 3841600 155.936 62.4694 -72.0599 64.7534 41.3629 -6.06179 -38.1504 79.5888 229.278 PRESSAVG: 3841600 -87.0321 44.6733 -36.92 44.6733 16.7096 27.2835 -36.9201 27.2835 38.6995 GPRESSAVG: 3841600 -86.9948 44.3826 -37.0354 42.6087 16.6984 28.9892 -36.6765 26.035 38.4374 TIMING: 3841600 CPU: 11163.1, 0.00292993/step Wall: 11163.1, 0.00292993/step, 0.942786 hours remaining, 208.117188 MB of memory in use. ENERGY: 3841600 718.5232 2121.6763 1940.6700 113.5569 -206300.9268 17860.6416 0.0000 0.0000 34391.2644 -149154.5943 300.3475 -183545.8588 -149051.0617 300.3947 109.8828 142.1923 556506.6973 -10.5410 -10.6197 PRESSURE: 3841800 -330.583 76.1308 29.6619 76.1316 1.67982 -141.505 29.6628 -141.506 -55.6487 GPRESSURE: 3841800 -343.891 212.75 48.2987 -3.83301 42.9567 -116.033 -15.6754 -128.257 10.1248 PRESSAVG: 3841800 -31.5001 -41.0528 -64.7308 -41.0528 26.06 -44.4526 -64.7308 -44.4527 51.9353 GPRESSAVG: 3841800 -30.151 -41.8882 -64.0662 -39.1825 24.9252 -44.1811 -63.8151 -45.5225 51.6991 TIMING: 3841800 CPU: 11163.7, 0.00294129/step Wall: 11163.7, 0.00294129/step, 0.946279 hours remaining, 208.117188 MB of memory in use. ENERGY: 3841800 764.8287 2048.0574 1950.1772 119.6945 -205976.6457 17457.7956 0.0000 0.0000 34231.8230 -149404.2692 298.9550 -183636.0922 -149304.5698 298.7930 -128.1840 -96.9364 556423.1695 15.4984 15.4911 PRESSURE: 3842000 184.855 90.3977 -64.7726 90.3991 -287.25 20.8668 -64.7733 20.8676 -32.1475 GPRESSURE: 3842000 199.142 44.1545 -63.5949 61.2691 -209.501 66.4471 -39.6682 -21.1002 -15.9059 PRESSAVG: 3842000 26.2404 -19.1489 14.7835 -19.149 -20.4909 -21.447 14.7835 -21.4469 -27.4904 GPRESSAVG: 3842000 24.9561 -17.358 15.3278 -20.0729 -19.7066 -21.881 14.3176 -22.5375 -27.231 TIMING: 3842000 CPU: 11164.3, 0.00292784/step Wall: 11164.3, 0.00292783/step, 0.941787 hours remaining, 208.117188 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: 3842000 698.7143 2107.4828 1952.9060 108.3364 -206455.4065 17728.1364 0.0000 0.0000 34301.6546 -149558.1760 299.5649 -183859.8305 -149459.5436 298.4651 -44.8474 -8.7549 557066.2976 -7.2470 -7.3272 PRESSURE: 3842200 213.024 -93.0621 -95.614 -93.0622 -82.7532 61.255 -95.614 61.2564 -19.4004 GPRESSURE: 3842200 213.634 -34.7609 -166.192 -122.056 4.12894 2.76087 -94.7823 86.2434 -5.1465 PRESSAVG: 3842200 51.3654 -4.4986 1.67198 -4.49866 -27.9787 -18.9925 1.67191 -18.9926 -16.5584 GPRESSAVG: 3842200 50.2888 -6.60868 1.58873 -4.99684 -27.601 -19.6696 1.02684 -17.595 -15.8036 TIMING: 3842200 CPU: 11164.9, 0.00291691/step Wall: 11164.9, 0.00291691/step, 0.93811 hours remaining, 208.117188 MB of memory in use. ENERGY: 3842200 742.6471 2094.2373 1935.2359 102.6545 -206307.2807 17778.3924 0.0000 0.0000 34134.3144 -149519.7991 298.1035 -183654.1135 -149422.4430 298.5446 36.9567 70.8720 555379.1370 2.2761 2.2948 PRESSURE: 3842400 -332.877 -46.3866 55.1444 -46.3863 -160.798 -82.8968 55.1441 -82.896 56.9624 GPRESSURE: 3842400 -289.13 -74.5759 106.577 -82.6649 -90.6861 -78.0918 27.9248 -3.78468 39.0458 PRESSAVG: 3842400 -2.74662 -22.4722 -43.7905 -22.4722 -28.052 -25.4116 -43.7904 -25.4116 -3.08014 GPRESSAVG: 3842400 -2.29705 -20.3526 -45.5234 -24.4326 -27.9145 -23.5134 -42.2723 -24.6777 -2.87656 TIMING: 3842400 CPU: 11165.4, 0.00292936/step Wall: 11165.4, 0.00292936/step, 0.941952 hours remaining, 208.117188 MB of memory in use. ENERGY: 3842400 769.7794 2142.4525 1949.5108 117.3206 -206242.7693 17631.7099 0.0000 0.0000 34156.9381 -149475.0580 298.3010 -183631.9962 -149383.2425 298.8715 -145.5711 -113.5901 557276.6098 -11.2929 -11.0294 PRESSURE: 3842600 188.081 85.3378 -105.965 85.3371 130.629 20.3465 -105.964 20.3476 287.51 GPRESSURE: 3842600 295.254 58.5743 104.579 56.0296 147.478 35.711 -192.089 -24.1675 266.369 PRESSAVG: 3842600 3.29266 -33.2946 -7.65624 -33.2947 49.2041 20.7502 -7.65628 20.7503 -29.1769 GPRESSAVG: 3842600 1.61286 -35.0827 -8.62123 -31.3033 51.0614 21.5618 -6.76967 18.3255 -29.4918 TIMING: 3842600 CPU: 11166, 0.0029337/step Wall: 11166, 0.0029337/step, 0.943183 hours remaining, 208.117188 MB of memory in use. ENERGY: 3842600 774.2886 2117.4743 1960.7379 113.9170 -206562.1419 17902.5966 0.0000 0.0000 34278.7631 -149414.3645 299.3650 -183693.1276 -149317.3431 298.3828 202.0734 236.3671 555096.7728 7.7733 7.7275 PRESSURE: 3842800 48.4037 13.7975 10.7045 13.7977 -278.654 -17.342 10.7043 -17.3408 -165.601 GPRESSURE: 3842800 104.074 77.0376 44.4104 -17.9474 -240.889 -34.5121 5.38348 -53.7416 -150.849 PRESSAVG: 3842800 61.8172 -38.4065 -1.31483 -38.4065 -69.775 -9.35393 -1.31477 -9.35382 44.1174 GPRESSAVG: 3842800 64.1782 -37.3942 1.29191 -40.0019 -72.0332 -12.7236 -3.11371 -6.55183 43.845 TIMING: 3842800 CPU: 11166.6, 0.0029293/step Wall: 11166.6, 0.0029293/step, 0.941607 hours remaining, 208.117188 MB of memory in use. ENERGY: 3842800 730.2497 2082.8662 1988.5453 114.1643 -206430.8934 17707.3390 0.0000 0.0000 34324.5561 -149483.1727 299.7649 -183807.7289 -149389.3148 298.7706 -131.9505 -95.8879 557003.2320 12.0532 11.9967 PRESSURE: 3843000 -12.3461 141.57 -100.985 141.57 -25.5975 201.632 -100.985 201.633 -14.3666 GPRESSURE: 3843000 13.466 185.941 -91.8826 46.6684 12.0138 235.147 -99.1885 149.687 34.1236 PRESSAVG: 3843000 -53.6253 -17.3301 -15.8175 -17.3301 16.1092 10.013 -15.8176 10.013 23.6497 GPRESSAVG: 3843000 -53.2689 -17.6494 -16.5728 -16.3055 16.717 9.8597 -15.6207 9.95998 23.0066 TIMING: 3843000 CPU: 11167.2, 0.00293423/step Wall: 11167.2, 0.00293423/step, 0.943027 hours remaining, 208.117188 MB of memory in use. ENERGY: 3843000 743.3246 2054.3196 1975.6646 105.2880 -206207.4039 17838.2254 0.0000 0.0000 34181.8081 -149308.7736 298.5182 -183490.5817 -149212.7792 298.6160 -17.4367 19.8678 557298.5023 -4.6222 -4.5151 PRESSURE: 3843200 -76.3984 139.951 -174.144 139.952 -146.633 115.65 -174.144 115.651 -127.425 GPRESSURE: 3843200 13.3139 104.855 -157.399 123.042 -204.699 17.3976 -245.102 206.565 -67.3285 PRESSAVG: 3843200 -24.3751 40.097 -26.7192 40.0969 48.4361 10.9105 -26.7192 10.9105 -10.9843 GPRESSAVG: 3843200 -25.0565 37.594 -26.1952 40.5128 49.1556 11.1817 -26.8371 9.19626 -10.3465 TIMING: 3843200 CPU: 11167.8, 0.00294771/step Wall: 11167.8, 0.00294771/step, 0.947197 hours remaining, 208.117188 MB of memory in use. ENERGY: 3843200 774.6087 2116.0952 1984.2629 111.6828 -206232.8159 17614.8318 0.0000 0.0000 34378.9062 -149252.4283 300.2395 -183631.3344 -149150.0571 299.6254 -116.8187 -86.2379 557187.9844 4.3589 4.5842 PRESSURE: 3843400 -127.119 49.7129 -61.1227 49.7118 -189.109 -97.7345 -61.1235 -97.7357 -313.204 GPRESSURE: 3843400 -88.7353 93.9773 -125.369 88.5935 -158.482 -161.084 -2.09208 -37.8314 -287.897 PRESSAVG: 3843400 14.1241 13.7718 33.1173 13.7717 -24.5475 23.213 33.1173 23.213 10.372 GPRESSAVG: 3843400 14.448 17.446 31.3793 12.7402 -25.6023 22.4615 32.8569 23.5574 11.1795 TIMING: 3843400 CPU: 11168.4, 0.00293182/step Wall: 11168.4, 0.00293182/step, 0.941928 hours remaining, 208.117188 MB of memory in use. ENERGY: 3843400 733.5812 2079.3084 1976.5351 116.1337 -205827.7289 17501.4797 0.0000 0.0000 34165.1893 -149255.5015 298.3731 -183420.6908 -149143.8737 299.4896 -209.8108 -178.3714 559386.3568 -0.0171 0.0084 PRESSURE: 3843600 -155.914 64.8147 -62.4985 64.8171 135.446 4.81067 -62.4992 4.81114 108.83 GPRESSURE: 3843600 -137.025 81.9643 -42.0495 117.094 158.213 -17.3287 -18.4915 159.351 155.851 PRESSAVG: 3843600 -39.6022 -26.6922 41.2988 -26.6921 43.871 -13.058 41.2989 -13.058 37.4619 GPRESSAVG: 3843600 -40.0795 -26.1223 41.7177 -26.32 45.059 -8.77213 41.6272 -16.1549 36.302 TIMING: 3843600 CPU: 11169, 0.00295022/step Wall: 11169, 0.00295022/step, 0.947677 hours remaining, 208.117188 MB of memory in use. ENERGY: 3843600 757.6339 2150.9189 1972.7982 107.6719 -206368.3583 18002.4934 0.0000 0.0000 34407.8413 -148969.0007 300.4922 -183376.8420 -148873.9424 299.7332 29.4539 59.0132 558953.9815 13.9102 13.7605 PRESSURE: 3843800 100.258 -37.858 78.7925 -37.8574 -107.534 80.851 78.7918 80.8508 73.2211 GPRESSURE: 3843800 78.2814 -122.892 19.8277 29.2454 -20.0829 74.0463 78.3434 -23.7496 103.074 PRESSAVG: 3843800 -11.1349 -32.2832 -4.22626 -32.2833 29.4259 51.5155 -4.2262 51.5155 -12.1218 GPRESSAVG: 3843800 -11.237 -35.0003 -3.78783 -30.3588 29.1869 50.3489 -4.68129 53.0778 -12.1515 TIMING: 3843800 CPU: 11169.5, 0.00290857/step Wall: 11169.5, 0.00290857/step, 0.934137 hours remaining, 208.117188 MB of memory in use. ENERGY: 3843800 746.3812 2146.7642 1982.7290 117.4017 -206375.2794 18017.0714 0.0000 0.0000 34364.7165 -149000.2155 300.1156 -183364.9320 -148903.3723 300.2603 21.9820 53.7576 559648.9262 2.0564 1.9328 PRESSURE: 3844000 -164.792 -44.0051 3.26037 -44.0049 -291.67 61.5266 3.25853 61.5256 -27.3003 GPRESSURE: 3844000 -83.1388 -34.6136 -54.2617 -57.8959 -263.666 56.8926 85.144 123.165 -33.7388 PRESSAVG: 3844000 -18.8341 -0.537158 -18.3891 -0.537265 -38.9115 15.4038 -18.3891 15.4039 60.0307 GPRESSAVG: 3844000 -17.5859 2.67431 -18.4931 -4.33072 -39.4936 14.5323 -18.354 14.6683 59.8784 TIMING: 3844000 CPU: 11170.1, 0.00291597/step Wall: 11170.1, 0.00291597/step, 0.936349 hours remaining, 208.347656 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: 3844000 762.9714 2119.2854 1955.4286 113.6397 -206076.8358 17628.4319 0.0000 0.0000 34343.8442 -149153.2345 299.9333 -183497.0787 -149053.1399 300.0936 -161.2541 -126.8478 557462.3720 0.7617 0.9330 PRESSURE: 3844200 -8.20622 -46.4902 -19.6521 -46.4907 -35.8626 -70.2015 -19.654 -70.2014 -88.4856 GPRESSURE: 3844200 38.4968 -22.5429 -73.3798 -27.4708 -39.8723 -46.7385 41.6274 -21.8088 -37.1222 PRESSAVG: 3844200 -18.0555 -3.39931 -26.9868 -3.39939 22.3449 -20.5486 -26.9868 -20.5485 7.79917 GPRESSAVG: 3844200 -19.4754 -5.3895 -28.3611 -2.79515 23.2048 -19.882 -26.1645 -19.3891 8.13454 TIMING: 3844200 CPU: 11170.7, 0.00292769/step Wall: 11170.7, 0.00292769/step, 0.93995 hours remaining, 208.347656 MB of memory in use. ENERGY: 3844200 756.7722 2087.6399 1972.3183 105.2676 -206263.5315 17870.0189 0.0000 0.0000 34281.0374 -149190.4771 299.3848 -183471.5145 -149088.9664 299.9916 -44.1848 -12.8326 558335.5411 4.0295 3.9547 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 4848 load 0.029483 is 25.0% of average load 0.117840 LDB: Average compute 0.001734 is 1.5% of average load 0.117840 LDB: TIME 11174.5 LOAD: AVG 0.11784 MAX 0.180645 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 11174.5 LOAD: AVG 0.11784 MAX 0.180645 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.586 MB LDB: TIME 11174.5 LOAD: AVG 0.11784 MAX 0.180645 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.586 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 ================ 11174.5 PRESSURE: 3844400 -117.839 91.7113 -27.3028 91.7123 -133.939 111.066 -27.3036 111.066 -362.883 GPRESSURE: 3844400 -64.8279 39.5212 23.9596 71.7321 -128.681 118.857 -72.7909 64.1769 -330.892 PRESSAVG: 3844400 29.4733 41.8473 3.93813 41.8473 -28.7608 -3.14518 3.93811 -3.14506 -15.2395 GPRESSAVG: 3844400 29.9942 43.4496 5.53786 41.7194 -28.7585 -4.37542 1.70904 -4.63147 -15.5574 TIMING: 3844400 CPU: 11171.3, 0.00300738/step Wall: 11171.3, 0.00300738/step, 0.965369 hours remaining, 207.570312 MB of memory in use. ENERGY: 3844400 756.1005 2107.7351 1923.8619 123.9328 -205904.7686 17507.1436 0.0000 0.0000 34459.8528 -149026.1420 300.9465 -183485.9948 -148923.1601 300.1092 -204.8870 -174.8005 557741.3032 -4.8423 -4.7739 PRESSURE: 3844600 121.561 -56.6789 -49.1042 -56.6788 -46.7555 -0.926956 -49.1045 -0.926681 -366.502 GPRESSURE: 3844600 132.53 -67.7527 -56.0489 -147.431 -69.8822 18.6858 54.1872 -9.06898 -262.196 PRESSAVG: 3844600 57.6672 -14.2149 2.84434 -14.2148 -25.5321 -14.3896 2.84439 -14.3896 -23.0263 GPRESSAVG: 3844600 57.8004 -14.67 1.33488 -13.8443 -25.5037 -16.4067 6.38836 -12.9164 -22.9859 TIMING: 3844600 CPU: 11171.9, 0.00295108/step Wall: 11171.9, 0.00295108/step, 0.947132 hours remaining, 207.839844 MB of memory in use. ENERGY: 3844600 779.9409 2072.5458 1951.7233 122.4637 -205855.2469 17686.0228 0.0000 0.0000 34181.6125 -149060.9379 298.5165 -183242.5504 -148969.3511 299.5526 -97.2322 -66.5160 556253.0094 3.0363 3.1036 PRESSURE: 3844800 -303.183 -130.981 146.062 -130.982 -252.874 178.165 146.062 178.164 -294.557 GPRESSURE: 3844800 -260.424 -22.391 117.822 -212.731 -220.385 232.252 98.8214 176.825 -279.448 PRESSAVG: 3844800 -3.87379 29.17 -31.7907 29.17 72.0457 -17.8464 -31.7908 -17.8464 -31.0269 GPRESSAVG: 3844800 -4.73304 27.6701 -30.6285 29.1644 73.0929 -16.9486 -32.9754 -18.2068 -31.0325 TIMING: 3844800 CPU: 11172.5, 0.00295327/step Wall: 11172.5, 0.00295327/step, 0.94767 hours remaining, 207.839844 MB of memory in use. ENERGY: 3844800 806.1708 2086.5802 1967.9398 119.4175 -205384.2894 17415.7694 0.0000 0.0000 34257.8932 -148730.5183 299.1827 -182988.4116 -148637.0715 299.9698 -283.5382 -253.4191 558068.9672 12.3817 12.4424 PRESSURE: 3845000 -239.835 154.124 30.7392 154.125 -138.377 -28.5424 30.7401 -28.5423 77.5407 GPRESSURE: 3845000 -148.737 35.5438 43.0772 143.858 -146.126 -73.8318 19.1515 -40.9012 98.3678 PRESSAVG: 3845000 24.9303 21.9581 4.2531 21.9582 -64.9857 8.39633 4.25302 8.39638 33.0472 GPRESSAVG: 3845000 26.0674 21.8351 4.51832 22.4655 -66.6119 9.4187 2.03435 8.19009 33.7103 TIMING: 3845000 CPU: 11173.1, 0.0029272/step Wall: 11173.1, 0.0029272/step, 0.939142 hours remaining, 207.839844 MB of memory in use. ENERGY: 3845000 742.6303 2072.7216 1982.8660 117.1487 -205636.1234 17601.3511 0.0000 0.0000 34338.3735 -148781.0322 299.8856 -183119.4057 -148679.3784 301.0935 -100.2236 -65.4984 557802.4307 -2.3361 -2.2781 PRESSURE: 3845200 -96.682 13.9154 -72.7458 13.9154 -79.0266 -54.7177 -72.747 -54.7175 -20.2898 GPRESSURE: 3845200 -73.2401 54.5917 -40.8943 10.1956 -113.013 -70.7045 -82.0318 0.462932 73.749 PRESSAVG: 3845200 -73.1878 49.8908 -34.226 49.8909 44.7744 -10.0769 -34.2259 -10.0769 75.8608 GPRESSAVG: 3845200 -72.7159 51.0364 -33.7081 49.771 46.4639 -9.1498 -32.1741 -10.0266 73.8027 TIMING: 3845200 CPU: 11173.7, 0.00294833/step Wall: 11173.7, 0.00294833/step, 0.945758 hours remaining, 207.839844 MB of memory in use. ENERGY: 3845200 696.3080 2116.4765 2004.8308 107.1954 -205454.0276 17516.3628 0.0000 0.0000 34284.9501 -148727.9041 299.4190 -183012.8542 -148625.5645 300.3651 -65.3328 -37.5012 558486.2764 15.8158 15.8502 PRESSURE: 3845400 -201.547 -155.627 90.2134 -155.627 4.35078 239.59 90.2126 239.59 177.093 GPRESSURE: 3845400 -120.41 -86.3333 56.405 -151.25 22.0953 206.576 54.4267 154.237 168.423 PRESSAVG: 3845400 -47.2251 31.6496 -3.7665 31.6497 62.4488 -6.29963 -3.76646 -6.29956 -20.703 GPRESSAVG: 3845400 -47.4403 31.4738 -4.8736 32.395 63.2453 -8.03071 -5.85403 -5.64129 -20.5579 TIMING: 3845400 CPU: 11174.3, 0.00292804/step Wall: 11174.3, 0.00292804/step, 0.939086 hours remaining, 207.839844 MB of memory in use. ENERGY: 3845400 728.7318 2070.9301 1964.6736 113.1064 -205947.9421 17850.0204 0.0000 0.0000 34488.7540 -148731.7257 301.1989 -183220.4797 -148635.7104 299.8118 -6.7009 23.3696 559396.3439 -1.8264 -1.5843 PRESSURE: 3845600 -114.029 64.9916 -93.4519 64.9939 14.1656 95.5332 -93.4521 95.5322 -314.017 GPRESSURE: 3845600 -89.6741 120.83 -143.392 -21.9206 43.9629 -34.1651 -90.3664 117.175 -284.193 PRESSAVG: 3845600 -49.4102 -36.1577 -23.5677 -36.1578 31.7838 -27.3997 -23.5677 -27.3995 13.7569 GPRESSAVG: 3845600 -49.8934 -35.5498 -22.994 -38.0498 30.9979 -30.43 -22.9342 -25.9765 14.2618 TIMING: 3845600 CPU: 11174.8, 0.00292455/step Wall: 11174.8, 0.00292455/step, 0.937806 hours remaining, 207.839844 MB of memory in use. ENERGY: 3845600 720.1052 2072.3290 1978.1230 114.6365 -205738.4562 17459.5738 0.0000 0.0000 34552.1359 -148841.5527 301.7524 -183393.6887 -148743.0534 300.5214 -137.9600 -109.9682 558565.1562 -1.2898 -1.5446 PRESSURE: 3845800 -268.42 -80.4517 -78.6312 -80.4522 27.2745 7.88951 -78.6298 7.88808 11.8381 GPRESSURE: 3845800 -218.105 -87.4021 -118.936 -12.2375 25.9944 4.23163 -165.605 -103.096 62.7117 PRESSAVG: 3845800 4.15799 -29.4394 -41.9464 -29.4394 -5.03639 4.59046 -41.9465 4.59053 5.05137 GPRESSAVG: 3845800 4.47385 -27.4253 -41.0463 -30.1196 -6.57894 5.84036 -42.706 3.93668 6.01832 TIMING: 3845800 CPU: 11175.4, 0.00293863/step Wall: 11175.4, 0.00293863/step, 0.942156 hours remaining, 207.839844 MB of memory in use. ENERGY: 3845800 763.9699 2071.2214 1955.6756 106.1709 -205548.5977 17467.9127 0.0000 0.0000 34125.9093 -149057.7381 298.0301 -183183.6473 -148964.3320 300.3446 -76.4359 -43.1328 557736.3637 1.3910 1.3044 PRESSURE: 3846000 251.536 240.726 -85.3225 240.727 213.337 -60.7732 -85.322 -60.7729 139.683 GPRESSURE: 3846000 205.098 258.345 -123.19 259.837 304.126 -16.2598 -91.2619 -71.3777 186.822 PRESSAVG: 3846000 -12.708 26.055 -126.965 26.0549 -66.8787 37.2014 -126.965 37.2013 47.4775 GPRESSAVG: 3846000 -13.4 23.0539 -127.786 27.524 -65.1442 39.7687 -124.853 36.0918 47.2549 TIMING: 3846000 CPU: 11176, 0.00294393/step Wall: 11176, 0.00294393/step, 0.943693 hours remaining, 207.839844 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: 3846000 749.0694 2121.3474 1984.8078 101.1846 -206458.0716 17878.8323 0.0000 0.0000 34465.5430 -149157.2871 300.9962 -183622.8300 -149068.0440 299.4251 201.5189 232.0152 555546.7192 -10.7031 -10.4298 PRESSURE: 3846200 207.852 -85.1244 -68.8108 -85.1255 88.4907 116.612 -68.8111 116.613 -68.9534 GPRESSURE: 3846200 212.08 -29.0811 -56.0539 -22.1851 133.048 99.1297 -62.3631 114.844 -16.2691 PRESSAVG: 3846200 17.5235 37.9004 -58.2547 37.9004 21.9587 21.8319 -58.2547 21.8318 -35.2425 GPRESSAVG: 3846200 17.8669 40.2181 -57.0981 38.1199 21.1215 19.6811 -60.5922 23.8701 -34.874 TIMING: 3846200 CPU: 11176.6, 0.00292519/step Wall: 11176.6, 0.00292519/step, 0.937522 hours remaining, 207.839844 MB of memory in use. ENERGY: 3846200 723.0218 2102.3545 1976.4725 117.7769 -206454.2836 17972.2927 0.0000 0.0000 34399.0502 -149163.3150 300.4155 -183562.3652 -149073.1279 299.3656 75.7963 109.6197 557210.0199 1.4133 1.3715 PRESSURE: 3846400 171.181 2.01531 7.50029 2.01587 169.309 -83.3671 7.4997 -83.3677 183.559 GPRESSURE: 3846400 142.345 -8.48521 85.472 -15.8981 277.029 -170.229 75.1206 -12.8195 199.013 PRESSAVG: 3846400 -27.6697 23.6348 51.6425 23.6347 94.5691 29.4827 51.6424 29.4828 -69.7278 GPRESSAVG: 3846400 -27.713 22.7181 51.471 23.5088 94.6145 29.1474 53.2277 28.947 -69.4676 TIMING: 3846400 CPU: 11177.2, 0.00291381/step Wall: 11177.2, 0.00291381/step, 0.933713 hours remaining, 207.839844 MB of memory in use. ENERGY: 3846400 723.8498 2112.8412 1958.3696 114.5157 -206169.9348 17868.1776 0.0000 0.0000 34266.4288 -149125.7521 299.2572 -183392.1809 -149031.0725 299.1208 174.6829 206.1289 556424.3405 -0.9428 -0.8554 PRESSURE: 3846600 -81.7928 15.5174 -0.142952 15.5172 -96.3366 49.4134 -0.143471 49.4113 37.732 GPRESSURE: 3846600 -56.6543 49.4074 34.7367 8.26022 -86.0669 114.818 20.3812 17.8885 97.8388 PRESSAVG: 3846600 -5.57748 21.8271 19.6384 21.8271 -31.5826 -13.8067 19.6384 -13.8067 40.2779 GPRESSAVG: 3846600 -5.13107 21.0714 17.5775 21.4027 -31.9013 -11.7971 20.9738 -13.7254 40.8316 TIMING: 3846600 CPU: 11177.8, 0.00292081/step Wall: 11177.8, 0.00292081/step, 0.935795 hours remaining, 207.839844 MB of memory in use. ENERGY: 3846600 740.6022 2097.2121 1976.7647 113.3423 -205887.6111 17743.8503 0.0000 0.0000 34220.0963 -148995.7431 298.8526 -183215.8394 -148903.1868 299.1516 -46.7991 -14.9608 559548.1817 1.0393 1.2664 PRESSURE: 3846800 -187.509 -78.7575 -6.7556 -78.7574 91.525 69.8068 -6.75713 69.8072 100.814 GPRESSURE: 3846800 -125.662 -50.7809 -33.8347 -105.284 158.677 53.6863 -4.55441 58.9316 84.0749 PRESSAVG: 3846800 28.6896 -22.9963 21.5151 -22.9963 -19.9295 17.959 21.5152 17.9589 13.6053 GPRESSAVG: 3846800 28.6603 -23.1546 20.7525 -23.5187 -20.125 16.5405 20.7603 15.7901 13.3747 TIMING: 3846800 CPU: 11178.4, 0.00289769/step Wall: 11178.4, 0.00289769/step, 0.928226 hours remaining, 207.839844 MB of memory in use. ENERGY: 3846800 745.9800 2091.5522 1950.8041 111.6902 -206179.1899 18055.3175 0.0000 0.0000 34353.2806 -148870.5654 300.0157 -183223.8460 -148777.7994 300.0780 1.6097 39.0300 560432.4498 7.4551 7.3034 PRESSURE: 3847000 117.064 16.7395 29.2831 16.7385 94.194 -120.36 29.2826 -120.358 222.777 GPRESSURE: 3847000 143.855 -50.929 52.8776 95.1594 112.912 -146.207 -82.1986 -81.5049 261.832 PRESSAVG: 3847000 -59.1776 -38.4675 -12.4376 -38.4675 14.6993 -24.2633 -12.4376 -24.2631 -20.902 GPRESSAVG: 3847000 -59.2942 -36.9537 -9.59275 -37.5808 16.1499 -23.8197 -14.0936 -22.6858 -21.9812 TIMING: 3847000 CPU: 11178.9, 0.00289723/step Wall: 11178.9, 0.00289723/step, 0.927917 hours remaining, 207.839844 MB of memory in use. ENERGY: 3847000 761.0214 2163.6101 1961.6903 109.2604 -206344.8530 17996.6991 0.0000 0.0000 34485.3907 -148867.1811 301.1695 -183352.5717 -148771.1798 300.3406 144.6783 172.8660 558733.5456 -21.7934 -21.7085 PRESSURE: 3847200 -20.6658 111.154 191.965 111.156 -40.619 -83.4144 191.965 -83.4149 27.8231 GPRESSURE: 3847200 3.0262 205.225 166.469 93.8982 -13.308 -78.3687 206.496 -31.0727 69.9998 PRESSAVG: 3847200 42.5942 -17.3836 -18.1975 -17.3835 -4.40824 8.93339 -18.1975 8.9333 -13.4601 GPRESSAVG: 3847200 42.4595 -17.6171 -18.535 -17.1185 -5.70913 8.40796 -17.5966 10.1229 -12.1854 TIMING: 3847200 CPU: 11179.5, 0.00289204/step Wall: 11179.5, 0.00289204/step, 0.926097 hours remaining, 207.839844 MB of memory in use. ENERGY: 3847200 737.7443 2088.9297 1958.8659 117.6927 -205840.3729 17782.3058 0.0000 0.0000 34235.1946 -148919.6399 298.9845 -183154.8344 -148816.8293 300.1424 -11.1539 19.9060 558993.8259 8.2419 8.1883 PRESSURE: 3847400 143.645 -35.5959 114.559 -35.5956 39.8504 -141.412 114.559 -141.411 -140.286 GPRESSURE: 3847400 194.384 -7.9258 159.21 -55.8652 29.175 -168.203 64.6429 -127.402 -87.7465 PRESSAVG: 3847400 68.7498 75.5408 -69.0416 75.5408 -19.4318 -34.1641 -69.0416 -34.1641 -75.4947 GPRESSAVG: 3847400 69.0018 73.1268 -69.6955 75.8967 -18.1712 -35.8134 -66.2869 -36.0202 -76.8983 TIMING: 3847400 CPU: 11180.1, 0.00291298/step Wall: 11180.1, 0.00291298/step, 0.932638 hours remaining, 207.839844 MB of memory in use. ENERGY: 3847400 756.6108 2129.4000 1967.9107 101.4223 -206099.9494 17858.3171 0.0000 0.0000 34213.0548 -149073.2338 298.7911 -183286.2886 -148972.7239 299.7343 14.4032 45.2709 559019.5746 -8.7256 -8.6892 PRESSURE: 3847600 -191.922 -94.5038 104.903 -94.5046 -308.307 -71.0152 104.902 -71.0144 -183.038 GPRESSURE: 3847600 -186.239 -107.994 57.4432 -87.835 -224.591 -134.328 182.141 -21.4391 -173.006 PRESSAVG: 3847600 40.4326 42.9876 26.811 42.9876 15.6652 -10.954 26.8109 -10.9539 -59.7808 GPRESSAVG: 3847600 41.2019 43.5524 28.0358 43.2725 14.9939 -12.814 25.4668 -8.46621 -59.6776 TIMING: 3847600 CPU: 11180.7, 0.00290707/step Wall: 11180.7, 0.00290707/step, 0.930584 hours remaining, 207.839844 MB of memory in use. ENERGY: 3847600 771.0010 2106.0262 1961.3429 122.2003 -205885.3610 17625.0572 0.0000 0.0000 34271.1258 -149028.6076 299.2983 -183299.7334 -148932.5339 299.6199 -227.7559 -194.6120 558727.1871 -1.2277 -1.1606 PRESSURE: 3847800 -246.961 -119.886 14.7626 -119.887 -214.226 66.526 14.7627 66.5244 -199.183 GPRESSURE: 3847800 -231.947 -31.8232 -37.8578 -265.951 -151.627 137.315 95.3164 102.854 -179.652 PRESSAVG: 3847800 -12.56 -24.1646 38.5708 -24.1645 -22.6393 10.7664 38.5708 10.7662 31.0622 GPRESSAVG: 3847800 -13.0171 -22.0142 37.184 -24.6185 -21.8479 12.7229 39.8856 10.3773 31.1175 TIMING: 3847800 CPU: 11181.3, 0.00292551/step Wall: 11181.3, 0.00292551/step, 0.936327 hours remaining, 207.910156 MB of memory in use. ENERGY: 3847800 737.5529 2082.3186 1972.1577 116.7285 -205832.4705 17573.6263 0.0000 0.0000 34322.5326 -149027.5539 299.7472 -183350.0865 -148921.6054 300.2967 -220.1237 -187.7421 559475.6939 -1.3791 -1.2492 PRESSURE: 3848000 229.888 -48.8992 89.0603 -48.8988 14.7164 198.956 89.0598 198.956 49.3616 GPRESSURE: 3848000 246.619 -18.0058 129.255 -6.72613 41.9527 233.579 -16.3636 174.394 118.09 PRESSAVG: 3848000 33.9108 -37.6076 16.1476 -37.6076 -36.5741 0.723144 16.1477 0.723049 -18.4696 GPRESSAVG: 3848000 33.1574 -39.4855 15.9019 -36.0829 -35.9644 2.13773 14.8879 -1.71215 -18.107 TIMING: 3848000 CPU: 11181.8, 0.00290275/step Wall: 11181.8, 0.00290275/step, 0.928881 hours remaining, 207.910156 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: 3848000 726.3971 2131.5430 1970.3168 114.2169 -206348.0348 18025.1184 0.0000 0.0000 34197.8035 -149182.6390 298.6579 -183380.4425 -149092.1619 298.8374 97.9887 135.5539 558244.0714 -7.0443 -6.9713 PRESSURE: 3848200 12.7767 -11.8301 100.584 -11.8294 -214.442 -204.838 100.583 -204.837 -79.5754 GPRESSURE: 3848200 28.4112 -4.82077 104.322 -19.7839 -194.44 -157.642 52.3598 -236.178 -16.0338 PRESSAVG: 3848200 36.5261 22.1391 21.918 22.1391 -29.7094 37.1866 21.9181 37.1867 -24.9643 GPRESSAVG: 3848200 37.6482 20.3161 23.7542 22.9562 -30.7291 38.0569 21.588 38.197 -24.41 TIMING: 3848200 CPU: 11182.4, 0.00288677/step Wall: 11182.4, 0.00288677/step, 0.923606 hours remaining, 207.910156 MB of memory in use. ENERGY: 3848200 762.8606 2142.3024 1946.0256 103.0665 -206333.9417 17817.6576 0.0000 0.0000 34179.5068 -149382.5221 298.4981 -183562.0289 -149286.9048 298.4637 -93.7468 -60.6875 558426.3394 -6.0492 -5.8303 LDB: ============= START OF LOAD BALANCING ============== 11185.9 LDB: ============== END OF LOAD BALANCING =============== 11185.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11185.9 LDB: ============= START OF LOAD BALANCING ============== 11186.2 LDB: Largest compute 4847 load 0.029036 is 24.6% of average load 0.117831 LDB: Average compute 0.001733 is 1.5% of average load 0.117831 LDB: TIME 11186.2 LOAD: AVG 0.117831 MAX 0.181081 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 11186.2 LOAD: AVG 0.117831 MAX 0.181081 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 11186.2 LOAD: AVG 0.117831 MAX 0.181081 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: ============== END OF LOAD BALANCING =============== 11186.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11186.2 PRESSURE: 3848400 237.239 133.733 -64.303 133.732 -79.7283 -130.95 -64.3035 -130.951 48.157 GPRESSURE: 3848400 266.595 107.888 21.2182 101.804 -38.7454 -55.6011 -161.236 -79.311 73.0984 PRESSAVG: 3848400 24.5015 44.9604 -17.3953 44.9605 13.7317 4.38137 -17.3953 4.38137 -50.8696 GPRESSAVG: 3848400 23.67 46.6389 -18.0182 42.2026 15.1998 1.53084 -17.9424 5.70535 -51.6821 TIMING: 3848400 CPU: 11183, 0.00296165/step Wall: 11183, 0.00296165/step, 0.9474 hours remaining, 206.835938 MB of memory in use. ENERGY: 3848400 732.0501 2138.6206 1961.8813 110.5319 -206480.5475 17906.9512 0.0000 0.0000 34352.4652 -149278.0472 300.0086 -183630.5125 -149183.3367 298.7269 68.5559 100.3161 558065.1363 -4.2121 -4.2707 PRESSURE: 3848600 98.0786 -228.863 139.949 -228.864 54.784 -55.2506 139.949 -55.2517 55.7156 GPRESSURE: 3848600 140.624 -194.89 42.6333 -229.8 88.7616 -41.627 206.67 -50.7448 59.4976 PRESSAVG: 3848600 89.9801 73.2264 -8.2831 73.2264 -54.7603 40.1943 -8.28311 40.1942 -32.8151 GPRESSAVG: 3848600 91.1768 74.8199 -8.56812 74.7698 -56.2162 41.3659 -6.16697 38.0631 -32.5329 TIMING: 3848600 CPU: 11183.6, 0.00292287/step Wall: 11183.6, 0.00292287/step, 0.93483 hours remaining, 207.039062 MB of memory in use. ENERGY: 3848600 746.2370 2057.4425 1971.1533 134.1861 -206312.6586 17865.9119 0.0000 0.0000 34377.6503 -149160.0774 300.2286 -183537.7278 -149062.2304 299.8227 69.5261 96.2943 558732.1644 0.8015 0.8092 PRESSURE: 3848800 -182.609 16.8355 -18.4456 16.8364 122.816 201.173 -18.4449 201.173 -126.724 GPRESSURE: 3848800 -123.888 -6.32315 -60.6135 10.4161 108.979 218.332 15.9469 210.817 -92.9839 PRESSAVG: 3848800 14.5296 -1.52349 -1.513 -1.52346 30.1726 0.264215 -1.51295 0.26422 -67.4266 GPRESSAVG: 3848800 15.2441 -2.1215 -0.0290907 -1.92547 29.1028 0.0587913 -1.66259 1.32777 -66.8833 TIMING: 3848800 CPU: 11184.2, 0.00289291/step Wall: 11184.2, 0.00289291/step, 0.925088 hours remaining, 207.039062 MB of memory in use. ENERGY: 3848800 718.4797 2090.2666 1981.1897 124.1752 -206308.5477 17811.5914 0.0000 0.0000 34158.7804 -149424.0646 298.3171 -183582.8451 -149325.1786 298.5994 -62.1727 -35.9642 558506.7655 -7.5748 -7.5121 PRESSURE: 3849000 147.111 28.3193 -61.5759 28.3196 149.065 -97.1913 -61.5765 -97.1888 169.034 GPRESSURE: 3849000 155.167 27.4552 -97.3653 -26.4051 180.563 -52.941 -42.3755 -198.458 214.531 PRESSAVG: 3849000 -7.75682 16.5837 -8.68376 16.5837 1.12424 21.7803 -8.68376 21.7802 11.0261 GPRESSAVG: 3849000 -8.88473 14.2563 -7.92453 16.8834 1.64782 20.4013 -8.87198 21.9701 11.2635 TIMING: 3849000 CPU: 11184.8, 0.00288155/step Wall: 11184.8, 0.00288155/step, 0.921296 hours remaining, 207.117188 MB of memory in use. ENERGY: 3849000 707.6584 2081.0248 1956.3837 104.1230 -206692.7069 18233.9472 0.0000 0.0000 34174.5256 -149435.0442 298.4546 -183609.5698 -149343.8157 298.1629 155.0699 183.4204 558851.0869 1.4645 1.3422 PRESSURE: 3849200 22.0215 107.874 84.8323 107.874 -16.8521 63.4615 84.8322 63.4603 -321.288 GPRESSURE: 3849200 59.3732 151.915 71.6749 126.031 14.9914 49.9895 82.9781 108.408 -305.188 PRESSAVG: 3849200 -10.0887 20.1024 75.9758 20.1023 -21.8314 -20.57 75.9758 -20.57 62.2675 GPRESSAVG: 3849200 -8.81199 20.8318 74.098 20.9239 -22.9359 -19.1257 77.1254 -20.0612 62.0386 TIMING: 3849200 CPU: 11185.3, 0.00290053/step Wall: 11185.3, 0.00290053/step, 0.927202 hours remaining, 207.117188 MB of memory in use. ENERGY: 3849200 744.1122 2065.0936 1956.2874 104.7405 -206333.7511 17931.3082 0.0000 0.0000 33854.6796 -149677.5297 295.6613 -183532.2093 -149582.5691 298.1335 -105.3727 -76.9413 558199.0348 10.1158 10.0969 PRESSURE: 3849400 153.862 41.4314 143.8 41.4317 -4.09432 -5.84251 143.802 -5.84337 -153.536 GPRESSURE: 3849400 185.717 64.0027 151.603 41.5119 58.7737 -18.7722 196.674 86.719 -151.928 PRESSAVG: 3849400 4.54179 6.95782 18.3175 6.95787 -9.62681 -3.09728 18.3175 -3.09729 -9.17691 GPRESSAVG: 3849400 2.97507 8.20951 15.9762 6.1346 -7.81085 -4.28578 15.694 -1.83189 -8.61361 TIMING: 3849400 CPU: 11185.9, 0.00290396/step Wall: 11185.9, 0.00290396/step, 0.928137 hours remaining, 207.117188 MB of memory in use. ENERGY: 3849400 761.3019 2071.6189 1980.3025 117.6473 -207003.5964 18053.4835 0.0000 0.0000 34233.7204 -149785.5220 298.9716 -184019.2424 -149701.9736 297.7313 -1.2562 30.8543 556493.9036 -4.7540 -4.4831 PRESSURE: 3849600 -54.8474 -58.3114 44.0993 -58.3104 -213.296 157.521 44.0999 157.521 -114.928 GPRESSURE: 3849600 -85.0345 -55.2207 73.6459 16.8752 -147.301 236.334 -7.92137 129.065 -58.967 PRESSAVG: 3849600 77.9648 15.7549 32.8956 15.7549 46.7376 -44.5001 32.8956 -44.5002 -95.1728 GPRESSAVG: 3849600 80.2075 16.5752 35.5047 14.9923 46.377 -43.1156 32.3149 -47.0509 -97.0093 TIMING: 3849600 CPU: 11186.5, 0.00288684/step Wall: 11186.5, 0.00288684/step, 0.922506 hours remaining, 207.117188 MB of memory in use. ENERGY: 3849600 781.6591 2056.8099 1940.8510 110.2306 -206498.9096 17801.3868 0.0000 0.0000 34087.1198 -149720.8523 297.6913 -183807.9722 -149621.2726 297.5387 -127.6905 -97.1008 556824.6106 9.8432 9.8584 PRESSURE: 3849800 -139.406 48.7766 -143.982 48.7759 89.211 -221.216 -143.983 -221.216 -97.5014 GPRESSURE: 3849800 -60.406 94.5739 -186.193 26.5507 102.943 -179.721 -63.2342 -270.691 -93.8254 PRESSAVG: 3849800 29.9906 -0.933184 42.7018 -0.933179 63.4717 -47.5981 42.7019 -47.5982 -50.1775 GPRESSAVG: 3849800 29.1478 -1.3259 43.4895 0.31152 64.1604 -49.0268 44.3374 -48.6968 -49.6946 TIMING: 3849800 CPU: 11187.1, 0.00291993/step Wall: 11187.1, 0.00291993/step, 0.932918 hours remaining, 207.117188 MB of memory in use. ENERGY: 3849800 726.2796 2139.0028 1969.2025 113.6424 -206916.3009 18099.8850 0.0000 0.0000 34037.0186 -149831.2701 297.2537 -183868.2887 -149740.3122 297.3712 -49.2323 -17.0961 557875.3219 14.4283 14.5379 PRESSURE: 3850000 -234.833 -160.188 -131.487 -160.188 -129.161 -255.176 -131.486 -255.177 115.331 GPRESSURE: 3850000 -196.529 -255.861 -126.866 -71.2784 -79.6792 -169.701 -86.4759 -266.067 122.495 PRESSAVG: 3850000 47.0024 9.07851 -15.1468 9.07851 32.5732 -103.861 -15.1467 -103.861 -80.1747 GPRESSAVG: 3850000 47.7689 8.09835 -17.3193 7.14071 32.2125 -101.63 -12.8211 -102.32 -80.5757 TIMING: 3850000 CPU: 11187.7, 0.00290998/step Wall: 11187.7, 0.00290998/step, 0.929576 hours remaining, 207.117188 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: 3850000 741.3858 2097.7592 1956.2888 120.9203 -206390.7408 17842.7281 0.0000 0.0000 33836.9384 -149794.7200 295.5064 -183631.6585 -149707.5679 297.4634 -82.8877 -51.2378 559052.4824 -0.1997 -0.1981 PRESSURE: 3850200 55.6822 -99.6904 -41.9608 -99.6908 114.619 -36.9648 -41.9616 -36.9639 115.469 GPRESSURE: 3850200 61.9772 -132.59 -56.3395 -81.0264 159.038 -26.3601 44.9503 -24.4995 161.869 PRESSAVG: 3850200 -31.6223 17.5282 -79.9316 17.5281 101.344 24.257 -79.9316 24.2569 -34.8145 GPRESSAVG: 3850200 -32.4052 19.0088 -78.5886 16.3108 100.84 24.0216 -81.117 25.0368 -33.72 TIMING: 3850200 CPU: 11188.2, 0.00291185/step Wall: 11188.2, 0.00291185/step, 0.930011 hours remaining, 207.117188 MB of memory in use. ENERGY: 3850200 757.0171 2079.3704 1972.6736 118.5523 -206672.9887 17907.4608 0.0000 0.0000 34226.3107 -149611.6039 298.9069 -183837.9146 -149519.1724 297.5640 95.2568 127.6281 556384.1685 11.6356 11.5717 PRESSURE: 3850400 252.467 93.9185 -49.1827 93.9184 4.29357 -60.67 -49.1838 -60.6709 8.26676 GPRESSURE: 3850400 325.458 35.5161 -14.0472 135.675 38.3667 -58.7623 -25.8095 -33.6162 4.46395 PRESSAVG: 3850400 -50.4576 -0.623999 37.0093 -0.624012 34.5788 37.1433 37.0092 37.1434 34.9967 GPRESSAVG: 3850400 -50.7288 -2.94357 37.3113 2.45199 34.5693 37.1616 36.3077 34.9685 35.5903 TIMING: 3850400 CPU: 11188.8, 0.00287574/step Wall: 11188.8, 0.00287574/step, 0.91832 hours remaining, 207.117188 MB of memory in use. ENERGY: 3850400 770.5581 2125.7751 1956.9637 109.3355 -206565.5300 18000.8845 0.0000 0.0000 34149.3102 -149452.7030 298.2344 -183602.0132 -149361.9416 298.6344 88.3424 122.7629 556483.1656 6.3726 6.4769 PRESSURE: 3850600 -79.625 8.05568 -36.7848 8.05586 52.9844 84.8729 -36.7832 84.8729 -280.916 GPRESSURE: 3850600 -70.0917 114.759 3.22101 -85.9861 93.7737 77.8785 -71.7554 47.8518 -242.952 PRESSAVG: 3850600 7.73811 -57.4758 -5.64286 -57.4758 27.0816 -7.63523 -5.64296 -7.63508 -2.69377 GPRESSAVG: 3850600 7.18025 -55.8847 -5.4323 -58.9264 28.3768 -9.2937 -5.47389 -7.0898 -3.67531 TIMING: 3850600 CPU: 11189.4, 0.00290386/step Wall: 11189.4, 0.00290386/step, 0.927139 hours remaining, 207.117188 MB of memory in use. ENERGY: 3850600 734.0232 2107.9400 1957.8984 112.5789 -206218.8884 17662.8191 0.0000 0.0000 34303.4529 -149340.1760 299.5806 -183643.6289 -149243.0778 298.9528 -102.5189 -73.0901 556919.3235 10.7086 10.6272 PRESSURE: 3850800 5.67577 -171.659 -47.6371 -171.659 169.398 66.1015 -47.6373 66.1026 -70.9916 GPRESSURE: 3850800 19.474 -137.383 19.1794 -148.558 156.66 32.9407 -101.693 122.873 38.6271 PRESSAVG: 3850800 5.2418 -36.0698 15.3818 -36.0699 18.5036 0.853038 15.3818 0.853001 0.0722821 GPRESSAVG: 3850800 5.08435 -36.4022 14.3435 -35.0018 16.4043 0.965572 15.2396 4.36796 1.69183 TIMING: 3850800 CPU: 11190, 0.00290054/step Wall: 11190, 0.00290054/step, 0.925916 hours remaining, 207.117188 MB of memory in use. ENERGY: 3850800 708.5810 2062.9297 2000.4733 116.2495 -206245.7410 17921.7205 0.0000 0.0000 34054.3545 -149381.4325 297.4051 -183435.7870 -149294.1199 298.5322 34.6942 71.5869 557381.2502 7.9392 7.7268 PRESSURE: 3851000 -62.9008 -86.1336 -26.8121 -86.134 -158.141 -100.223 -26.8114 -100.223 -139.535 GPRESSURE: 3851000 -18.3393 -4.00786 -33.4288 -191.669 -135.229 -60.3944 -14.9712 -93.6182 -113.519 PRESSAVG: 3851000 1.5672 -69.0317 20.2446 -69.0318 -20.9227 9.55619 20.2446 9.55622 16.3753 GPRESSAVG: 3851000 3.51079 -68.5226 19.9046 -69.7252 -19.9834 11.6018 20.8385 6.26898 14.3566 TIMING: 3851000 CPU: 11190.6, 0.00291932/step Wall: 11190.6, 0.00291932/step, 0.931749 hours remaining, 207.117188 MB of memory in use. ENERGY: 3851000 721.5536 2102.2847 1960.7501 107.7723 -206495.0761 17748.5204 0.0000 0.0000 34399.8214 -149454.3736 300.4222 -183854.1950 -149364.6151 298.7973 -120.1922 -89.0291 556189.3888 -0.9934 -0.7053 PRESSURE: 3851200 113.312 14.1888 15.8124 14.1884 13.7445 -138.766 15.8113 -138.766 203.576 GPRESSURE: 3851200 102.59 -53.3632 -93.0322 71.8693 112.374 -116.817 78.495 -143.421 222.359 PRESSAVG: 3851200 -1.59422 18.0307 -15.5914 18.0307 8.99698 1.78236 -15.5915 1.78236 -6.07292 GPRESSAVG: 3851200 -2.87232 17.9167 -16.4276 18.6781 9.96129 -0.967727 -15.2284 3.60639 -5.88607 TIMING: 3851200 CPU: 11191.1, 0.00290082/step Wall: 11191.1, 0.00290082/step, 0.925684 hours remaining, 207.117188 MB of memory in use. ENERGY: 3851200 749.0209 2096.3038 1969.0619 109.3537 -206659.7532 17985.5263 0.0000 0.0000 34413.0340 -149337.4525 300.5376 -183750.4866 -149239.8876 299.2779 110.2110 145.7742 556625.0567 0.4433 0.4010 PRESSURE: 3851400 223.346 29.0251 186.281 29.0254 -134.958 -161.998 186.281 -161.997 -197.236 GPRESSURE: 3851400 207.489 2.28169 172.922 130.035 -76.2429 -153.74 175.113 -198.65 -144.292 PRESSAVG: 3851400 -10.1172 87.9937 -29.0132 87.9938 4.95679 -49.7902 -29.0133 -49.7902 30.7884 GPRESSAVG: 3851400 -8.09349 87.2856 -29.8092 89.2696 3.29463 -48.5469 -29.6312 -51.5885 30.6194 TIMING: 3851400 CPU: 11191.7, 0.00290753/step Wall: 11191.7, 0.00290753/step, 0.927663 hours remaining, 207.117188 MB of memory in use. ENERGY: 3851400 751.4586 2119.5105 1960.3238 139.3934 -206595.7536 17987.0958 0.0000 0.0000 34448.0313 -149189.9401 300.8432 -183637.9714 -149094.1488 299.6482 -36.2828 -4.3485 558105.3214 8.5427 8.6068 PRESSURE: 3851600 -123.49 -45.4902 153.333 -45.4886 144.88 24.1223 153.333 24.1217 -166.09 GPRESSURE: 3851600 -89.0282 -110.402 131.549 -3.88681 139.797 47.7877 112.054 45.4108 -87.4922 PRESSAVG: 3851600 -23.2106 5.47041 3.86379 5.47042 -53.2747 -78.1374 3.86372 -78.1375 91.0644 GPRESSAVG: 3851600 -24.4127 5.17152 5.88481 4.03597 -52.6481 -79.731 2.89754 -75.6199 91.5731 TIMING: 3851600 CPU: 11192.3, 0.00289668/step Wall: 11192.3, 0.00289668/step, 0.92404 hours remaining, 207.117188 MB of memory in use. ENERGY: 3851600 773.3781 2125.2327 1938.3877 120.7928 -206121.0317 17759.4559 0.0000 0.0000 34150.7247 -149253.0600 298.2468 -183403.7846 -149165.9527 298.9383 -48.2334 -12.2410 556768.3766 4.8597 4.8374 PRESSURE: 3851800 72.3359 -38.6666 -219.906 -38.6667 -81.8511 2.53928 -219.905 2.53808 -140.842 GPRESSURE: 3851800 84.4467 -3.66748 -279.529 -55.8636 14.7605 -107.319 -190.645 76.399 -149.841 PRESSAVG: 3851800 30.1804 24.5863 2.09883 24.5863 -22.3845 19.3461 2.09885 19.3462 -7.22227 GPRESSAVG: 3851800 31.025 26.626 2.16884 23.8223 -22.3853 19.8269 1.87644 18.8137 -7.52071 TIMING: 3851800 CPU: 11192.9, 0.00292615/step Wall: 11192.9, 0.00292615/step, 0.933278 hours remaining, 207.117188 MB of memory in use. ENERGY: 3851800 762.0342 2114.9687 1962.6246 92.6263 -206093.1706 17621.5623 0.0000 0.0000 34271.5285 -149267.8260 299.3018 -183539.3545 -149171.4781 299.3247 -50.1191 -16.8778 557365.4603 0.1912 0.3730 PRESSURE: 3852000 -75.3273 167.618 -129.103 167.618 -85.3537 -180.926 -129.103 -180.926 236.68 GPRESSURE: 3852000 -42.9584 149.562 -135.301 218.303 -39.5181 -244.137 -44.8938 -189.618 261.223 PRESSAVG: 3852000 28.9303 24.445 -3.67116 24.445 -23.1684 -25.1857 -3.67119 -25.1857 7.00343 GPRESSAVG: 3852000 28.1615 24.0877 -4.3396 24.151 -22.8151 -23.2401 -3.1587 -26.2946 8.14136 TIMING: 3852000 CPU: 11193.5, 0.00291747/step Wall: 11193.5, 0.00291747/step, 0.930349 hours remaining, 207.117188 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: 3852000 755.1483 2120.1779 1973.6815 104.8472 -206282.8482 17825.7850 0.0000 0.0000 34305.4340 -149197.7743 299.5979 -183503.2083 -149096.3496 299.5592 25.3329 59.5822 557408.8943 4.2551 4.4959 PRESSURE: 3852200 95.7474 -37.083 -306.9 -37.0827 -19.7821 80.2407 -306.902 80.2423 -197.439 GPRESSURE: 3852200 166.805 -90.7865 -284.43 -46.7108 -16.0034 160.575 -246.996 38.1222 -175.717 PRESSAVG: 3852200 -20.4429 -25.5021 -77.8983 -25.5021 38.3179 -43.9738 -77.8984 -43.9738 -6.01026 GPRESSAVG: 3852200 -19.9176 -28.1262 -77.2503 -23.9666 38.1764 -42.1401 -78.3438 -45.0557 -6.44113 TIMING: 3852200 CPU: 11194, 0.0029122/step Wall: 11194, 0.0029122/step, 0.928506 hours remaining, 207.117188 MB of memory in use. ENERGY: 3852200 766.5270 2103.9083 1939.4455 110.8373 -206265.0252 17851.4007 0.0000 0.0000 34183.6977 -149309.2087 298.5347 -183492.9064 -149218.0257 299.0728 -40.4912 -8.3052 557507.3845 3.9549 3.9392 LDB: ============= START OF LOAD BALANCING ============== 11197.5 LDB: ============== END OF LOAD BALANCING =============== 11197.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197.5 LDB: ============= START OF LOAD BALANCING ============== 11197.8 LDB: Largest compute 4848 load 0.028237 is 24.0% of average load 0.117876 LDB: Average compute 0.001726 is 1.5% of average load 0.117876 LDB: TIME 11197.8 LOAD: AVG 0.117876 MAX 0.184095 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 11197.8 LOAD: AVG 0.117876 MAX 0.184095 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 11197.8 LOAD: AVG 0.117876 MAX 0.184095 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: ============== END OF LOAD BALANCING =============== 11197.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11197.8 PRESSURE: 3852400 -66.2069 -74.3598 29.8313 -74.3602 44.1052 -76.0634 29.8312 -76.0641 78.2349 GPRESSURE: 3852400 12.5947 -137.17 57.1522 19.3957 72.693 -111.142 52.0033 -99.3837 80.1711 PRESSAVG: 3852400 54.8204 8.67011 14.5938 8.67006 -36.3895 -28.3948 14.5939 -28.3948 -25.1608 GPRESSAVG: 3852400 55.6549 11.0824 14.1644 8.10346 -36.0697 -33.9365 14.0429 -25.607 -25.9668 TIMING: 3852400 CPU: 11194.6, 0.00299434/step Wall: 11194.6, 0.00299434/step, 0.954529 hours remaining, 207.613281 MB of memory in use. ENERGY: 3852400 740.8080 2095.8024 1966.6317 116.1703 -206503.7766 17933.9512 0.0000 0.0000 34265.5999 -149384.8132 299.2500 -183650.4130 -149294.8906 299.0044 18.7110 55.1529 557239.7087 -2.2433 -2.1272 PRESSURE: 3852600 110.945 8.95734 96.8494 8.95726 69.9723 -64.8926 96.85 -64.8939 -31.907 GPRESSURE: 3852600 131.914 20.1592 17.2025 -13.5539 104.879 -86.5356 136.372 -66.7599 17.6284 PRESSAVG: 3852600 -41.4009 2.66269 21.9986 2.66263 -26.7878 -52.7054 21.9986 -52.7054 42.9342 GPRESSAVG: 3852600 -41.7041 1.98305 19.6886 2.81473 -26.2008 -48.9941 24.0158 -55.3114 42.7865 TIMING: 3852600 CPU: 11195.2, 0.00293868/step Wall: 11195.2, 0.00293868/step, 0.936622 hours remaining, 207.722656 MB of memory in use. ENERGY: 3852600 774.1601 2122.2411 1966.2915 111.1209 -206137.9265 17867.7658 0.0000 0.0000 34116.5071 -149179.8401 297.9479 -183296.3472 -149085.4444 298.3630 49.6702 84.8071 557147.1742 -8.4182 -8.3728 PRESSURE: 3852800 -288.969 263.372 -34.379 263.372 219.619 108.09 -34.3786 108.09 -2.6365 GPRESSURE: 3852800 -210.355 250.447 -99.8343 256.676 235.128 115.507 -30.6756 39.6461 -1.12608 PRESSAVG: 3852800 39.359 22.882 18.9344 22.882 3.11989 23.7199 18.9345 23.7199 -49.8764 GPRESSAVG: 3852800 39.4658 24.0898 20.8629 20.5988 2.19045 21.2721 18.0362 24.3942 -49.6783 TIMING: 3852800 CPU: 11195.8, 0.00291992/step Wall: 11195.8, 0.00291992/step, 0.930481 hours remaining, 207.722656 MB of memory in use. ENERGY: 3852800 780.1256 2116.8857 1950.6951 100.0923 -206202.1527 17878.7068 0.0000 0.0000 34173.5263 -149202.1208 298.4459 -183375.6472 -149107.9960 299.2874 -23.9955 7.8821 557848.6253 -2.4658 -2.6740 PRESSURE: 3853000 61.4701 52.9113 -56.6665 52.9114 -160.267 222.875 -56.6659 222.877 -119.43 GPRESSURE: 3853000 70.8356 55.8271 -100.633 49.6902 -131.639 197.544 -38.8549 207.977 -60.8523 PRESSAVG: 3853000 -58.6541 31.3373 43.3897 31.3374 77.592 50.4508 43.3897 50.4509 16.5018 GPRESSAVG: 3853000 -59.4947 29.5207 44.1992 33.2439 78.001 52.5594 41.6531 51.3006 16.3444 TIMING: 3853000 CPU: 11196.4, 0.00292425/step Wall: 11196.4, 0.00292425/step, 0.9317 hours remaining, 207.722656 MB of memory in use. ENERGY: 3853000 765.1929 2109.2613 1954.1755 127.5220 -206269.6510 17873.4706 0.0000 0.0000 34355.5754 -149084.4532 300.0358 -183440.0286 -148982.5477 299.5984 -72.7422 -40.5520 557558.7701 11.8132 11.6169 PRESSURE: 3853200 -216.119 -21.604 -21.9344 -21.6045 -66.8717 -109.629 -21.9352 -109.628 63.9319 GPRESSURE: 3853200 -171.783 -33.4111 -6.2556 -13.2748 -82.7828 -85.0202 -8.94507 -107.757 139.805 PRESSAVG: 3853200 70.6337 46.8342 -9.30901 46.8341 -63.9364 46.7825 -9.30904 46.7825 -4.13626 GPRESSAVG: 3853200 71.5277 48.2409 -10.6999 44.6385 -65.2185 47.1805 -8.67296 46.2586 -3.62332 TIMING: 3853200 CPU: 11197, 0.00292214/step Wall: 11197, 0.00292214/step, 0.930865 hours remaining, 207.882812 MB of memory in use. ENERGY: 3853200 753.1836 2111.9663 1936.7329 115.5433 -206100.8514 17934.4296 0.0000 0.0000 34289.3714 -148959.6243 299.4576 -183248.9957 -148860.5103 299.5425 -73.0194 -38.2537 559589.6644 0.8537 0.8953 PRESSURE: 3853400 -176.481 27.696 -24.6258 27.6956 -339.61 -194.861 -24.6274 -194.862 -146.588 GPRESSURE: 3853400 -151.028 -54.9465 2.03997 3.56976 -328.012 -191.108 -75.8616 -274.155 -103.159 PRESSAVG: 3853400 -30.9019 52.4432 10.9921 52.4432 17.3064 16.5084 10.9921 16.5085 35.6075 GPRESSAVG: 3853400 -31.3565 51.122 12.6536 54.474 18.6369 16.838 11.0331 15.2506 34.6252 TIMING: 3853400 CPU: 11197.6, 0.00292929/step Wall: 11197.6, 0.00292929/step, 0.932979 hours remaining, 207.882812 MB of memory in use. ENERGY: 3853400 742.1134 2115.2718 1958.4712 116.0905 -205768.2872 17485.5309 0.0000 0.0000 34362.1593 -148988.6501 300.0933 -183350.8094 -148887.7020 299.5049 -220.8931 -194.0663 559044.1220 7.3373 7.3019 PRESSURE: 3853600 146.36 89.2791 -196.72 89.2792 -335.834 -195.228 -196.72 -195.23 -277.255 GPRESSURE: 3853600 126.329 156.67 -189.072 90.5237 -249.197 -280.104 -187.935 -106.229 -245.612 PRESSAVG: 3853600 22.203 20.1798 -24.3165 20.1798 -22.7893 2.56782 -24.3165 2.56771 -1.15851 GPRESSAVG: 3853600 21.9884 20.1449 -23.7978 19.0654 -22.4739 0.524609 -23.2045 2.62857 -0.743258 TIMING: 3853600 CPU: 11198.2, 0.00293131/step Wall: 11198.2, 0.00293131/step, 0.933461 hours remaining, 207.882812 MB of memory in use. ENERGY: 3853600 787.0898 2137.8659 1949.5571 107.1533 -206053.0087 17779.3239 0.0000 0.0000 34235.7694 -149056.2492 298.9895 -183292.0186 -148962.1368 299.4904 -155.5762 -122.8270 558636.8889 -0.5816 -0.4096 PRESSURE: 3853800 448.657 -71.0499 -37.6186 -71.0485 183.806 59.754 -37.6193 59.7553 -72.2739 GPRESSURE: 3853800 473.611 30.5866 4.08445 -61.8694 214.267 47.9307 -21.282 -14.6159 -38.5437 PRESSAVG: 3853800 83.114 -33.5746 -6.12836 -33.5745 14.6525 -71.3729 -6.12839 -71.3731 -55.779 GPRESSAVG: 3853800 83.0819 -32.6386 -7.92321 -32.7948 13.7656 -69.8336 -7.58436 -71.4212 -55.2078 TIMING: 3853800 CPU: 11198.7, 0.00291781/step Wall: 11198.7, 0.00291781/step, 0.928997 hours remaining, 207.882812 MB of memory in use. ENERGY: 3853800 771.8518 2167.0691 1968.8221 109.8501 -206278.4167 17924.6355 0.0000 0.0000 34335.0737 -149001.1143 299.8567 -183336.1880 -148907.4739 299.8015 186.7297 216.4449 555954.0551 13.9958 13.8799 PRESSURE: 3854000 -215.214 89.5213 34.4423 89.5219 -311.466 120 34.4426 120.001 -153.424 GPRESSURE: 3854000 -198.786 91.1988 174.91 61.8253 -270.665 114.229 -81.9259 111.095 -112.567 PRESSAVG: 3854000 40.6005 18.1787 -34.2122 18.1787 -49.3109 -15.6092 -34.2121 -15.6093 2.64673 GPRESSAVG: 3854000 40.4327 18.1936 -32.8771 15.5084 -49.1391 -16.1459 -34.758 -15.1291 3.28992 TIMING: 3854000 CPU: 11199.3, 0.00290388/step Wall: 11199.3, 0.00290388/step, 0.924403 hours remaining, 207.882812 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: 3854000 804.4889 2100.6229 1931.1433 102.8483 -205838.8681 17591.8126 0.0000 0.0000 34381.0975 -148926.8546 300.2587 -183307.9521 -148838.5099 299.6411 -226.7013 -194.0061 558775.2065 -2.0212 -1.8055 PRESSURE: 3854200 47.7583 0.213798 -48.1345 0.215758 -8.01353 -62.5237 -48.1363 -62.5259 13.1698 GPRESSURE: 3854200 72.0015 -34.3035 -61.3367 -80.4056 -38.0025 -131.716 -80.9039 12.6283 102.333 PRESSAVG: 3854200 68.426 11.2226 -41.5163 11.2227 -1.80612 -44.0162 -41.5164 -44.0163 -25.3822 GPRESSAVG: 3854200 67.9471 10.5065 -39.3806 13.5607 -1.36168 -44.1803 -40.4351 -44.4882 -25.7439 TIMING: 3854200 CPU: 11199.9, 0.00289189/step Wall: 11199.9, 0.00289189/step, 0.920424 hours remaining, 207.882812 MB of memory in use. ENERGY: 3854200 727.1247 2063.3744 1965.1488 123.2952 -205993.2767 17821.8935 0.0000 0.0000 34156.6582 -149135.7819 298.2986 -183292.4401 -149042.0760 299.7364 17.6382 45.4439 559101.5631 13.7459 13.6138 PRESSURE: 3854400 57.7858 56.9134 43.7477 56.9134 157.492 -41.9428 43.7473 -41.9428 109.438 GPRESSURE: 3854400 104.034 50.3284 21.9807 15.2026 224.334 -1.17677 -13.5501 -139.173 97.7084 PRESSAVG: 3854400 39.5503 -25.6126 -16.5393 -25.6126 -66.3753 -17.7494 -16.5393 -17.7495 11.5735 GPRESSAVG: 3854400 39.3629 -25.2644 -18.4979 -26.4738 -66.1847 -17.4553 -17.0155 -17.9546 11.2625 TIMING: 3854400 CPU: 11200.5, 0.00289454/step Wall: 11200.5, 0.00289454/step, 0.921108 hours remaining, 207.882812 MB of memory in use. ENERGY: 3854400 696.9801 2153.0404 1967.7086 117.2406 -206686.9696 18068.7675 0.0000 0.0000 34320.7961 -149362.4363 299.7320 -183683.2324 -149261.2803 298.9944 108.2387 142.0256 557458.7601 -5.0838 -5.1864 PRESSURE: 3854600 215.268 21.1127 -71.8307 21.1113 189.005 11.628 -71.8316 11.6284 11.925 GPRESSURE: 3854600 307.708 12.1142 -12.623 31.08 171.828 32.3677 -114.181 4.52676 16.0625 PRESSAVG: 3854600 52.8222 -3.03398 17.8914 -3.03394 -88.7831 -2.82355 17.8913 -2.82347 -38.8621 GPRESSAVG: 3854600 53.1408 -3.55248 18.1707 -1.86271 -90.033 -1.30368 17.7659 -3.26096 -37.6825 TIMING: 3854600 CPU: 11201.1, 0.0029166/step Wall: 11201.1, 0.0029166/step, 0.927966 hours remaining, 207.882812 MB of memory in use. ENERGY: 3854600 737.5189 2115.5343 1965.3612 119.6383 -206717.0239 18166.5559 0.0000 0.0000 34224.9923 -149387.4230 298.8954 -183612.4153 -149290.4276 298.4110 138.7329 165.1995 556875.0069 -24.9410 -24.8582 PRESSURE: 3854800 -268.635 -118.108 59.2815 -118.107 94.43 83.7398 59.2812 83.7411 -118.976 GPRESSURE: 3854800 -218.216 -116.586 47.9704 -125.115 136.728 74.0374 102.038 76.8859 -120.102 PRESSAVG: 3854800 19.2561 40.2826 17.0486 40.2825 36.6287 52.4539 17.0486 52.4538 8.94765 GPRESSAVG: 3854800 18.9817 40.2316 16.2402 39.8716 37.7934 51.764 16.9634 52.4439 8.33817 TIMING: 3854800 CPU: 11201.6, 0.00290442/step Wall: 11201.6, 0.00290442/step, 0.923928 hours remaining, 207.882812 MB of memory in use. ENERGY: 3854800 774.3017 2093.1903 1980.5928 112.1121 -206332.5653 17856.4281 0.0000 0.0000 34242.8681 -149273.0723 299.0515 -183515.9404 -149180.2541 299.3209 -97.7268 -67.1965 558139.3789 21.6108 21.7044 PRESSURE: 3855000 -238.134 125.777 146.99 125.777 277.173 -27.85 146.989 -27.8517 -136.535 GPRESSURE: 3855000 -206.532 110.522 114.649 222.015 270.613 0.472631 142.233 -35.3972 -73.4613 PRESSAVG: 3855000 37.6236 36.0261 18.1797 36.0261 -38.6692 -19.0096 18.1797 -19.0096 2.16933 GPRESSAVG: 3855000 37.5737 35.8808 17.8388 36.4949 -38.9413 -19.3312 18.9714 -18.5501 2.30964 TIMING: 3855000 CPU: 11202.2, 0.00292154/step Wall: 11202.2, 0.00292154/step, 0.929212 hours remaining, 207.882812 MB of memory in use. ENERGY: 3855000 743.1333 2121.3775 1956.3992 112.6545 -206582.2813 17947.4112 0.0000 0.0000 34353.9454 -149347.3602 300.0215 -183701.3056 -149251.3759 299.2981 -32.4987 -3.1268 558592.3568 0.3746 0.3140 PRESSURE: 3855200 154.842 128.326 11.8112 128.328 46.6265 -15.1699 11.8109 -15.1697 128.702 GPRESSURE: 3855200 243.17 220.687 -46.6695 -3.72664 56.4191 25.0083 -16.2593 -24.2073 124.029 PRESSAVG: 3855200 -53.3943 44.4977 -47.9106 44.4977 55.784 -41.2074 -47.9106 -41.2074 -9.74508 GPRESSAVG: 3855200 -53.164 44.8936 -45.581 44.8979 55.899 -41.6794 -48.2367 -40.1308 -9.90896 TIMING: 3855200 CPU: 11202.8, 0.00290229/step Wall: 11202.8, 0.00290229/step, 0.922929 hours remaining, 207.882812 MB of memory in use. ENERGY: 3855200 746.5542 2155.0565 1972.0875 113.1339 -206685.2750 18206.3581 0.0000 0.0000 34182.5652 -149309.5196 298.5248 -183492.0848 -149211.8608 299.0997 110.0569 141.2062 557292.9956 -2.4518 -2.3913 PRESSURE: 3855400 -37.5539 -52.7942 134.56 -52.7949 -121.761 36.6438 134.559 36.6428 -127.831 GPRESSURE: 3855400 7.59052 -13.8798 162.239 -146.834 -32.0386 28.09 213.123 22.303 -173.944 PRESSAVG: 3855400 28.5068 -47.4209 -59.9716 -47.4208 2.71613 2.27554 -59.9716 2.27547 -37.9811 GPRESSAVG: 3855400 28.4652 -48.8055 -61.2034 -48.3517 2.86773 2.06033 -60.4201 1.12721 -38.606 TIMING: 3855400 CPU: 11203.4, 0.00292443/step Wall: 11203.4, 0.00292443/step, 0.929806 hours remaining, 207.882812 MB of memory in use. ENERGY: 3855400 752.4684 2136.6235 1976.4864 113.0846 -206171.7039 17644.4256 0.0000 0.0000 34269.5964 -149279.0190 299.2849 -183548.6154 -149183.9268 298.3612 -95.7152 -66.1308 556320.7420 -2.2527 -2.4244 PRESSURE: 3855600 -16.4404 -76.252 -38.6674 -76.2518 170.534 28.5669 -38.6679 28.5705 -71.5615 GPRESSURE: 3855600 70.0367 -69.7659 23.724 -67.5801 132.595 22.5271 -66.2598 37.7313 -32.564 PRESSAVG: 3855600 72.0935 -45.6906 34.4496 -45.6907 -29.9579 18.4344 34.4497 18.4345 -45.8296 GPRESSAVG: 3855600 72.6252 -46.1832 36.302 -44.4303 -31.1984 19.3468 33.3178 17.5536 -44.9732 TIMING: 3855600 CPU: 11204, 0.00290842/step Wall: 11204, 0.00290842/step, 0.924554 hours remaining, 207.882812 MB of memory in use. ENERGY: 3855600 696.6083 2123.0557 1975.4312 116.7697 -206050.8004 17704.9719 0.0000 0.0000 34112.5628 -149321.4008 297.9135 -183433.9635 -149221.4345 299.3200 27.5107 56.6891 558139.5077 -1.2313 -1.1821 PRESSURE: 3855800 31.5282 -75.5603 -170.391 -75.5601 -97.9764 29.993 -170.391 29.9933 323.854 GPRESSURE: 3855800 90.5431 -83.6178 -159.237 -17.9155 -64.2933 18.8607 -164.24 82.998 321.159 PRESSAVG: 3855800 41.2286 34.0092 -51.3594 34.0092 -43.0654 -8.35697 -51.3594 -8.35693 31.8024 GPRESSAVG: 3855800 41.1689 35.6752 -53.8031 32.4416 -43.4456 -8.33898 -49.0746 -7.61917 31.9441 TIMING: 3855800 CPU: 11204.6, 0.00287834/step Wall: 11204.6, 0.00287834/step, 0.914831 hours remaining, 207.882812 MB of memory in use. ENERGY: 3855800 765.4631 2136.8148 1944.8941 117.2333 -206697.6937 18114.0256 0.0000 0.0000 34274.3780 -149344.8847 299.3267 -183619.2628 -149253.2409 299.2781 85.8019 115.8029 557215.9917 9.9885 9.8891 PRESSURE: 3856000 -316.208 31.2574 112.325 31.2571 132.82 -127.208 112.325 -127.207 -12.6505 GPRESSURE: 3856000 -296.208 57.5326 107.459 53.9787 195.229 -153.642 70.0594 -150.758 4.07131 PRESSAVG: 3856000 -55.5959 -10.4916 -43.5865 -10.4916 -0.974889 -8.09049 -43.5864 -8.09032 -10.4918 GPRESSAVG: 3856000 -55.8287 -10.4135 -44.6103 -10.6091 -0.24339 -9.51581 -42.0069 -6.39326 -11.0174 TIMING: 3856000 CPU: 11205.1, 0.00289952/step Wall: 11205.1, 0.00289952/step, 0.921402 hours remaining, 207.882812 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: 3856000 726.3744 2056.1730 1946.5493 115.7949 -206162.1138 17658.5173 0.0000 0.0000 34399.9651 -149258.7397 300.4235 -183658.7048 -149157.8631 299.3732 -65.3462 -32.3026 557844.8861 -22.3542 -22.3632 PRESSURE: 3856200 63.8379 77.3347 -19.5928 77.3348 229.782 38.5738 -19.5925 38.5731 -337.721 GPRESSURE: 3856200 65.57 109.471 -25.4224 39.4271 233.349 -25.0964 -61.7065 -6.94418 -249.301 PRESSAVG: 3856200 -54.2042 47.0245 -24.6709 47.0246 77.8392 -8.53915 -24.6709 -8.53926 -16.314 GPRESSAVG: 3856200 -53.5354 47.1634 -24.1657 47.0461 77.3032 -6.85509 -27.2239 -8.92999 -15.7557 TIMING: 3856200 CPU: 11205.7, 0.00290144/step Wall: 11205.7, 0.00290144/step, 0.921853 hours remaining, 207.882812 MB of memory in use. ENERGY: 3856200 718.5605 2091.4419 1962.4325 98.6432 -206598.4308 17939.0827 0.0000 0.0000 34361.4401 -149426.8298 300.0870 -183788.2699 -149327.5071 299.0301 -14.7003 16.5395 557184.8754 2.4403 2.6707 LDB: ============= START OF LOAD BALANCING ============== 11209.2 LDB: ============== END OF LOAD BALANCING =============== 11209.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11209.2 LDB: ============= START OF LOAD BALANCING ============== 11209.5 LDB: Largest compute 4848 load 0.027942 is 23.7% of average load 0.117866 LDB: Average compute 0.001728 is 1.5% of average load 0.117866 LDB: TIME 11209.5 LOAD: AVG 0.117866 MAX 0.179879 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.102 MB LDB: TIME 11209.5 LOAD: AVG 0.117866 MAX 0.179879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: TIME 11209.5 LOAD: AVG 0.117866 MAX 0.179879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11209.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11209.5 PRESSURE: 3856400 -41.1831 82.7447 115.642 82.7455 -86.4371 -131.715 115.643 -131.714 47.5071 GPRESSURE: 3856400 5.97756 98.7479 177.177 30.1883 -81.5241 -139.492 25.1508 -85.6102 91.7929 PRESSAVG: 3856400 -45.386 47.5684 6.20358 47.5684 14.5246 -8.84052 6.20358 -8.84054 -5.82369 GPRESSAVG: 3856400 -46.1754 47.8295 8.36185 46.9048 16.1761 -11.4086 4.66734 -9.16708 -6.4457 TIMING: 3856400 CPU: 11206.3, 0.00295674/step Wall: 11206.3, 0.00295674/step, 0.939257 hours remaining, 207.355469 MB of memory in use. ENERGY: 3856400 770.2362 2069.2090 1991.7636 114.3325 -206791.4191 18054.7982 0.0000 0.0000 34360.2495 -149430.8301 300.0766 -183791.0796 -149330.7013 298.7765 -26.7044 5.4155 557742.4676 -12.2284 -12.1483 PRESSURE: 3856600 138.787 -34.0977 -103.185 -34.0983 -63.3809 48.7781 -103.184 48.7761 109.558 GPRESSURE: 3856600 173.601 -30.8402 -66.5734 -86.9231 12.2346 66.9645 -45.9029 35.689 98.3354 PRESSAVG: 3856600 -33.2635 -15.1745 39.6435 -15.1744 -34.0603 -34.9025 39.6435 -34.9024 41.5603 GPRESSAVG: 3856600 -33.1314 -15.602 37.2321 -14.3526 -33.6155 -33.2177 43.1513 -33.8642 41.5579 TIMING: 3856600 CPU: 11206.9, 0.00288592/step Wall: 11206.9, 0.00288592/step, 0.916602 hours remaining, 207.355469 MB of memory in use. ENERGY: 3856600 760.0562 2082.7350 1943.8127 119.4477 -206821.6208 18212.9938 0.0000 0.0000 34193.7516 -149508.8237 298.6225 -183702.5753 -149412.6805 299.0674 61.6547 94.7238 557401.6675 -8.5878 -8.3963 PRESSURE: 3856800 -40.2971 56.8875 -110.581 56.8872 87.5595 -164.8 -110.582 -164.799 -245.53 GPRESSURE: 3856800 -5.18528 1.2103 -80.7564 132.777 85.8813 -182.405 -50.2006 -48.0362 -188.518 PRESSAVG: 3856800 12.5493 2.10954 46.7605 2.10952 -4.30933 -25.3784 46.7605 -25.3784 -2.00235 GPRESSAVG: 3856800 14.0673 0.326896 48.1083 4.59115 -5.75709 -25.7806 45.3008 -25.6449 -1.85345 TIMING: 3856800 CPU: 11207.5, 0.0029087/step Wall: 11207.5, 0.0029087/step, 0.923675 hours remaining, 207.355469 MB of memory in use. ENERGY: 3856800 745.5353 2083.9115 1928.2489 114.9370 -206007.7533 17781.9418 0.0000 0.0000 34003.3114 -149349.8674 296.9594 -183353.1788 -149255.6143 298.0504 -66.0891 -35.9405 558334.3386 2.0792 2.1522 PRESSURE: 3857000 -93.7346 24.8803 54.7427 24.8804 -11.4379 -25.2736 54.7428 -25.2746 -81.9774 GPRESSURE: 3857000 -6.19953 -21.3812 73.1972 -14.3651 -22.4248 -15.6396 14.0454 13.0153 -68.738 PRESSAVG: 3857000 -11.7551 -30.7581 37.9139 -30.758 5.23739 -1.15534 37.9139 -1.15525 15.7024 GPRESSAVG: 3857000 -12.7683 -29.6906 37.4199 -32.9857 4.94759 -0.361309 37.2267 -2.0849 16.9193 TIMING: 3857000 CPU: 11208, 0.00288798/step Wall: 11208, 0.00288798/step, 0.916933 hours remaining, 207.355469 MB of memory in use. ENERGY: 3857000 781.2670 2116.4350 1966.1833 121.7169 -206168.0282 17675.9024 0.0000 0.0000 34294.1064 -149212.4171 299.4990 -183506.5235 -149114.1596 299.4365 -62.3833 -32.4541 557352.9414 3.0616 3.0328 PRESSURE: 3857200 239.168 -39.5794 -120.694 -39.5796 -117.3 46.6578 -120.694 46.6587 -166.989 GPRESSURE: 3857200 236.249 -29.6799 -140.478 -9.95676 -100.673 143.736 -107.98 -16.3598 -77.1785 PRESSAVG: 3857200 5.91596 34.2736 -7.58847 34.2735 -86.0623 -5.82523 -7.58842 -5.8254 53.2641 GPRESSAVG: 3857200 6.35682 34.4196 -6.7637 33.4008 -84.6469 -7.39541 -7.89151 -3.85791 51.5977 TIMING: 3857200 CPU: 11208.6, 0.0028999/step Wall: 11208.6, 0.0028999/step, 0.920558 hours remaining, 207.355469 MB of memory in use. ENERGY: 3857200 722.3285 2128.0259 1936.1830 112.9234 -206438.9059 17818.7452 0.0000 0.0000 34457.8502 -149262.8497 300.9290 -183720.6999 -149176.6793 299.7344 -15.0406 19.4659 556983.8246 -8.9607 -8.8975 PRESSURE: 3857400 -0.104369 4.00198 -134.731 4.00048 -68.9185 124.789 -134.73 124.791 -148.813 GPRESSURE: 3857400 49.6548 -46.171 -186.236 -2.0054 -55.0639 44.2111 -67.1711 163.462 -100.906 PRESSAVG: 3857400 76.6996 89.0533 -9.28674 89.0534 -20.0227 -8.60334 -9.28683 -8.60328 -41.859 GPRESSAVG: 3857400 76.3572 90.0081 -11.6075 88.8827 -20.5582 -9.16538 -6.70943 -7.593 -41.605 TIMING: 3857400 CPU: 11209.2, 0.00291028/step Wall: 11209.2, 0.00291028/step, 0.92369 hours remaining, 207.355469 MB of memory in use. ENERGY: 3857400 768.0110 2110.9886 1929.9048 123.6326 -205998.8627 17665.6577 0.0000 0.0000 34289.5233 -149111.1447 299.4589 -183400.6679 -149018.6162 299.6104 -72.6120 -35.4384 555870.6137 4.9393 4.7313 PRESSURE: 3857600 18.2753 -117.759 -123.416 -117.758 97.0508 -96.3879 -123.417 -96.3888 55.1288 GPRESSURE: 3857600 104.428 -206.854 -161.873 -41.9339 25.6927 -81.5984 -85.4264 -120.216 120.147 PRESSAVG: 3857600 -4.97638 -38.2775 -47.3764 -38.2775 -5.97939 22.8019 -47.3764 22.8019 14.1693 GPRESSAVG: 3857600 -5.02512 -40.5533 -46.1111 -36.466 -5.93489 25.8072 -49.0684 19.951 13.8261 TIMING: 3857600 CPU: 11209.8, 0.00289132/step Wall: 11209.8, 0.00289132/step, 0.917512 hours remaining, 207.355469 MB of memory in use. ENERGY: 3857600 736.5692 2072.3996 1953.2438 127.5934 -206223.9864 17879.5149 0.0000 0.0000 34302.6798 -149151.9857 299.5738 -183454.6655 -149054.7698 299.3288 56.8183 83.4227 555240.6754 1.0712 0.9554 PRESSURE: 3857800 186.481 101.915 -9.01544 101.916 -55.452 35.6793 -9.01502 35.6793 65.2447 GPRESSURE: 3857800 258.314 111.616 -15.145 123.425 -64.6898 21.3428 28.9105 34.6623 98.3901 PRESSAVG: 3857800 15.9644 -3.8235 -1.08753 -3.82349 -95.1685 14.2926 -1.08761 14.2926 110.739 GPRESSAVG: 3857800 16.2298 -0.971852 -0.987764 -6.02942 -94.3013 11.9467 -2.36475 14.0291 109.067 TIMING: 3857800 CPU: 11210.4, 0.00293504/step Wall: 11210.4, 0.00293504/step, 0.931224 hours remaining, 207.355469 MB of memory in use. ENERGY: 3857800 760.2496 2031.1509 1960.9022 124.3705 -206324.1227 18012.1873 0.0000 0.0000 34197.9615 -149237.3007 298.6593 -183435.2622 -149135.0403 299.1931 65.4247 97.3381 556868.8455 10.5117 10.3317 PRESSURE: 3858000 -71.6179 38.3081 -35.8347 38.3069 -34.6373 41.953 -35.8341 41.9539 -38.8809 GPRESSURE: 3858000 -29.093 69.8636 44.583 38.087 0.437119 48.6578 43.942 -57.3303 -22.5404 PRESSAVG: 3858000 6.21857 61.0242 17.6497 61.0242 -20.0006 -10.8596 17.6497 -10.8596 -21.1399 GPRESSAVG: 3858000 5.12883 60.905 17.737 60.9376 -20.4529 -9.5803 18.9501 -10.8378 -19.7837 TIMING: 3858000 CPU: 11211, 0.00292219/step Wall: 11211, 0.00292219/step, 0.926985 hours remaining, 207.355469 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: 3858000 761.4901 2143.7268 1934.3185 108.1813 -206425.4239 17919.6064 0.0000 0.0000 34394.8739 -149163.2269 300.3790 -183558.1009 -149070.1952 299.3000 -48.3787 -17.0654 558685.8397 -11.6407 -11.7026 PRESSURE: 3858200 -213.766 -4.49572 -23.8141 -4.49565 -295.834 -116.564 -23.8139 -116.563 160.334 GPRESSURE: 3858200 -222.015 -50.5936 65.5959 -13.3481 -266.687 -104.611 -140.982 -125.096 243.565 PRESSAVG: 3858200 -12.4478 33.958 -9.19524 33.9581 -23.155 -23.6806 -9.19532 -23.6804 32.9034 GPRESSAVG: 3858200 -12.0471 32.173 -8.63081 35.3765 -22.3973 -24.9985 -9.22474 -23.0057 31.9922 TIMING: 3858200 CPU: 11211.5, 0.00292629/step Wall: 11211.5, 0.00292629/step, 0.92812 hours remaining, 207.355469 MB of memory in use. ENERGY: 3858200 765.1460 2110.8335 1984.6382 104.8832 -206065.8225 17680.8601 0.0000 0.0000 34267.6670 -149151.7945 299.2681 -183419.4615 -149056.7372 299.4464 -116.4218 -81.7124 558562.0197 -0.8998 -0.8174 PRESSURE: 3858400 46.11 -111.52 -112.581 -111.52 85.6682 -40.9754 -112.581 -40.9753 219.496 GPRESSURE: 3858400 91.8674 -136.536 -19.5514 -140.459 81.6338 26.2391 -105.36 3.79589 289.704 PRESSAVG: 3858400 -51.6096 -30.4214 -5.19443 -30.4214 -66.2723 -20.7155 -5.1943 -20.7155 63.9201 GPRESSAVG: 3858400 -51.3833 -30.9464 -3.81228 -31.4512 -67.0198 -21.324 -8.56556 -20.5486 64.6112 TIMING: 3858400 CPU: 11212.1, 0.00294385/step Wall: 11212.1, 0.00294385/step, 0.933528 hours remaining, 207.355469 MB of memory in use. ENERGY: 3858400 767.8298 2111.2095 1959.2118 115.8961 -206403.6178 18109.7063 0.0000 0.0000 34273.6874 -149066.0769 299.3206 -183339.7643 -148968.2454 299.1301 117.0915 154.4018 557476.4344 -17.9873 -17.9306 PRESSURE: 3858600 308.089 -158.766 64.9735 -158.766 175.271 -25.5127 64.9729 -25.5122 240.15 GPRESSURE: 3858600 256.489 -140.291 52.9177 -140.512 256.138 30.0765 61.3335 -40.4086 307.368 PRESSAVG: 3858600 -26.0643 -42.7794 3.6517 -42.7794 -3.46756 -19.7404 3.65174 -19.7403 30.3643 GPRESSAVG: 3858600 -25.6769 -40.9788 3.29047 -42.745 -4.79303 -17.2047 5.93567 -21.829 31.1101 TIMING: 3858600 CPU: 11212.7, 0.00293205/step Wall: 11212.7, 0.00293205/step, 0.929624 hours remaining, 207.355469 MB of memory in use. ENERGY: 3858600 709.7310 2107.1125 1954.7253 104.3533 -206315.5403 18177.8542 0.0000 0.0000 34364.7196 -148897.0444 300.1156 -183261.7640 -148796.4468 299.9753 241.1701 273.3315 556972.8970 0.2775 0.2134 PRESSURE: 3858800 15.7348 -107.004 66.1584 -107.005 29.555 -77.0056 66.158 -77.0052 -44.9489 GPRESSURE: 3858800 30.3469 -2.91833 30.7533 -159.85 81.299 -21.419 87.5101 -58.6122 -22.7559 PRESSAVG: 3858800 6.47297 21.8683 -4.8918 21.8683 6.89061 1.18821 -4.89166 1.18829 4.28396 GPRESSAVG: 3858800 6.79712 20.9688 -5.05732 24.2517 8.0355 1.9496 -4.12959 1.19596 3.54191 TIMING: 3858800 CPU: 11213.3, 0.00292155/step Wall: 11213.3, 0.00292155/step, 0.926131 hours remaining, 207.355469 MB of memory in use. ENERGY: 3858800 712.9430 2115.5461 1946.1911 120.7722 -206205.6860 17873.4660 0.0000 0.0000 34392.2490 -149044.5186 300.3561 -183436.7676 -148949.4911 300.0371 0.1136 29.6300 556835.9990 5.8825 6.1248 PRESSURE: 3859000 -11.3934 67.0638 -127.14 67.0638 -197.669 -38.2224 -127.141 -38.2246 -214.142 GPRESSURE: 3859000 58.9618 37.255 -42.5827 23.3214 -167.063 47.4696 -178.906 -73.0873 -206.818 PRESSAVG: 3859000 28.3482 2.71541 -19.8955 2.71542 24.7958 19.6556 -19.8955 19.6557 -45.3793 GPRESSAVG: 3859000 26.571 2.25804 -19.9804 1.71459 26.4735 14.925 -19.892 21.2175 -44.3636 TIMING: 3859000 CPU: 11213.9, 0.00292451/step Wall: 11213.9, 0.00292451/step, 0.926908 hours remaining, 207.355469 MB of memory in use. ENERGY: 3859000 744.8778 2095.6444 1965.0225 104.3954 -206044.7516 17621.0147 0.0000 0.0000 34389.5293 -149124.2676 300.3323 -183513.7968 -149024.8787 299.4483 -141.0679 -104.9730 557502.3478 2.5882 2.8936 PRESSURE: 3859200 157.281 89.5804 32.5564 89.5804 -111.844 27.4827 32.5578 27.4842 427.801 GPRESSURE: 3859200 189.62 -5.07993 -2.44024 68.1357 -71.0935 -45.0912 55.448 30.3535 445.336 PRESSAVG: 3859200 2.73345 27.6263 10.5721 27.6264 -51.4441 -7.56989 10.572 -7.56978 39.7684 GPRESSAVG: 3859200 2.87848 29.9845 8.39863 24.3552 -51.3644 -5.18147 12.2476 -10.216 39.6701 TIMING: 3859200 CPU: 11214.5, 0.00292401/step Wall: 11214.5, 0.00292401/step, 0.926587 hours remaining, 207.355469 MB of memory in use. ENERGY: 3859200 782.5498 2044.5148 1962.6221 113.1928 -206531.1184 18251.0023 0.0000 0.0000 34220.2268 -149157.0098 298.8538 -183377.2366 -149066.1058 299.4666 157.7458 187.9540 556901.3105 -2.9807 -2.9386 PRESSURE: 3859400 133.586 -215.456 -23.1931 -215.456 107.846 13.157 -23.1942 13.1586 46.4074 GPRESSURE: 3859400 219.599 -155.114 19.8747 -255.458 75.3393 75.7079 -31.851 -0.485635 90.7521 PRESSAVG: 3859400 42.4193 5.80599 -31.7644 5.80598 -4.12138 24.555 -31.7646 24.555 -39.2111 GPRESSAVG: 3859400 43.9156 4.83065 -31.29 9.16184 -5.81136 24.1002 -34.456 25.9509 -38.4969 TIMING: 3859400 CPU: 11215.1, 0.00293578/step Wall: 11215.1, 0.00293578/step, 0.930154 hours remaining, 207.355469 MB of memory in use. ENERGY: 3859400 706.0353 2132.1924 1941.9597 112.1827 -206284.9413 18031.2615 0.0000 0.0000 34223.1159 -149138.1937 298.8790 -183361.3096 -149040.6732 299.1783 95.9464 128.5635 558162.6166 -0.3044 -0.1309 PRESSURE: 3859600 163.663 -191.695 -13.0894 -191.695 150.153 -14.2143 -13.0886 -14.2139 24.8369 GPRESSURE: 3859600 178.03 -206.288 -61.6858 -186.842 208.125 12.0803 -14.94 -2.61667 50.9466 PRESSAVG: 3859600 64.2465 -22.0021 -72.5619 -22.0022 -71.4449 60.8157 -72.5618 60.8157 -36.7047 GPRESSAVG: 3859600 65.12 -23.5006 -73.7936 -21.9542 -70.8594 61.8453 -71.1087 62.6039 -38.4819 TIMING: 3859600 CPU: 11215.6, 0.00291662/step Wall: 11215.6, 0.00291662/step, 0.923921 hours remaining, 207.355469 MB of memory in use. ENERGY: 3859600 693.6258 2058.1020 1973.3336 104.7450 -206065.5938 17831.3417 0.0000 0.0000 34365.2381 -149039.2076 300.1202 -183404.4457 -148940.2451 299.4150 112.8845 145.7005 559097.7812 -14.6344 -14.7404 PRESSURE: 3859800 -39.9979 168.461 -70.9715 168.461 -13.3322 53.3454 -70.9718 53.3449 124.568 GPRESSURE: 3859800 -2.59029 183.369 -69.961 147.079 87.8599 79.4352 -85.4736 18.4061 74.8538 PRESSAVG: 3859800 20.5881 4.29373 -24.0677 4.29384 64.4824 10.592 -24.0676 10.592 -16.083 GPRESSAVG: 3859800 19.4754 4.08622 -22.3104 5.41881 65.1537 10.3086 -24.2571 9.73502 -15.5749 TIMING: 3859800 CPU: 11216.2, 0.00290464/step Wall: 11216.2, 0.00290464/step, 0.919964 hours remaining, 207.355469 MB of memory in use. ENERGY: 3859800 753.1842 2096.4619 1980.6639 116.9061 -206224.3804 17900.3344 0.0000 0.0000 34235.0038 -149141.8262 298.9828 -183376.8299 -149042.7029 299.2669 23.7459 53.3745 557072.5508 22.9958 23.0181 PRESSURE: 3860000 -2.9822 -22.5975 -4.80515 -22.598 33.7816 -28.1026 -4.80696 -28.1035 -130.738 GPRESSURE: 3860000 25.1722 22.4433 6.88895 -120.117 62.2367 -52.9146 59.803 8.84641 -82.1929 PRESSAVG: 3860000 -12.717 -2.33307 -49.4464 -2.33312 55.4528 19.2534 -49.4464 19.2534 -31.9963 GPRESSAVG: 3860000 -12.6291 -1.26652 -48.9982 -4.3857 54.638 18.5591 -51.3772 19.9725 -30.6405 TIMING: 3860000 CPU: 11216.8, 0.00290812/step Wall: 11216.8, 0.00290812/step, 0.920904 hours remaining, 207.355469 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: 3860000 744.6734 2144.6369 1957.2619 110.5438 -206097.6150 17793.3660 0.0000 0.0000 34170.3507 -149176.7822 298.4182 -183347.1330 -149080.2192 299.3442 -33.3129 1.7386 557769.2151 3.5798 3.7895 PRESSURE: 3860200 13.4839 -84.7146 18.7446 -84.7158 -100.245 -65.9404 18.7451 -65.9399 84.5784 GPRESSURE: 3860200 29.6157 -142.108 65.5854 0.671374 -50.373 2.53829 69.8477 -5.46424 110.714 PRESSAVG: 3860200 -54.9965 -29.4247 -64.8922 -29.4247 39.183 -2.17517 -64.8922 -2.17517 5.45347 GPRESSAVG: 3860200 -56.2612 -29.3974 -67.3393 -29.7157 39.3 -1.80225 -62.3115 -4.84538 5.88077 TIMING: 3860200 CPU: 11217.4, 0.00293692/step Wall: 11217.4, 0.00293692/step, 0.929861 hours remaining, 207.417969 MB of memory in use. ENERGY: 3860200 762.5300 2069.1656 1967.7214 112.1485 -205913.9014 17726.8103 0.0000 0.0000 34213.7397 -149061.7858 298.7971 -183275.5255 -148964.5268 299.2204 -0.7277 29.9854 557156.3827 -3.4534 -3.6935 LDB: ============= START OF LOAD BALANCING ============== 11220.9 LDB: ============== END OF LOAD BALANCING =============== 11220.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.9 LDB: ============= START OF LOAD BALANCING ============== 11221.2 LDB: Largest compute 4820 load 0.029585 is 25.1% of average load 0.117834 LDB: Average compute 0.001743 is 1.5% of average load 0.117834 LDB: TIME 11221.2 LOAD: AVG 0.117834 MAX 0.181083 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.66 MB LDB: TIME 11221.2 LOAD: AVG 0.117834 MAX 0.181083 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.66 MB LDB: TIME 11221.2 LOAD: AVG 0.117834 MAX 0.181083 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.66 MB LDB: ============== END OF LOAD BALANCING =============== 11221.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11221.2 PRESSURE: 3860400 100.562 32.3283 -105.527 32.3284 -41.8244 -91.7634 -105.528 -91.7633 58.8945 GPRESSURE: 3860400 172.952 154.393 -65.4174 2.04053 -35.5625 -148.197 -127.236 -23.9154 79.6714 PRESSAVG: 3860400 23.6224 17.589 -15.6871 17.5889 10.8972 -49.4881 -15.687 -49.4879 -38.7783 GPRESSAVG: 3860400 24.3823 18.7976 -14.9306 17.0503 10.9803 -50.2501 -14.9565 -44.8087 -39.0521 TIMING: 3860400 CPU: 11218, 0.00298605/step Wall: 11218, 0.00298605/step, 0.945251 hours remaining, 206.585938 MB of memory in use. ENERGY: 3860400 753.4959 2100.7889 1959.1088 115.4435 -206395.7792 17945.1250 0.0000 0.0000 34438.9414 -149082.8757 300.7638 -183521.8171 -148980.7088 299.7682 39.2106 72.3537 556260.8468 -1.4196 -1.2298 PRESSURE: 3860600 223.263 -40.9218 14.0561 -40.923 88.1597 -44.2893 14.055 -44.2903 183.19 GPRESSURE: 3860600 221.158 -160.27 -59.4184 31.7931 135.166 -72.5297 -55.5938 -35.8999 224.573 PRESSAVG: 3860600 66.9145 -18.7114 46.327 -18.7114 -76.787 5.47011 46.327 5.47002 26.1659 GPRESSAVG: 3860600 67.7572 -19.5679 45.397 -16.8002 -76.9598 4.69993 44.5016 1.59973 25.2337 TIMING: 3860600 CPU: 11218.6, 0.00291607/step Wall: 11218.6, 0.00291607/step, 0.922935 hours remaining, 206.585938 MB of memory in use. ENERGY: 3860600 739.0822 2097.8711 1962.3046 124.3628 -206479.6407 17994.6544 0.0000 0.0000 34469.0230 -149092.3426 301.0266 -183561.3656 -148992.6607 299.2050 164.8708 193.6325 557469.7981 5.4311 5.3437 PRESSURE: 3860800 -128.166 -202.588 -218.046 -202.587 41.375 -21.0215 -218.046 -21.0233 -28.7379 GPRESSURE: 3860800 -31.4396 -171.308 -140.34 -296.882 20.3286 -34.3557 -294.997 -71.7855 -3.982 PRESSAVG: 3860800 66.0809 -61.3817 12.302 -61.3816 -9.76391 24.0386 12.302 24.0385 -43.3345 GPRESSAVG: 3860800 65.5935 -61.888 15.2958 -64.3845 -8.479 25.662 10.6342 24.599 -44.2857 TIMING: 3860800 CPU: 11219.2, 0.0029147/step Wall: 11219.2, 0.0029147/step, 0.92234 hours remaining, 206.585938 MB of memory in use. ENERGY: 3860800 743.5801 2096.1849 1977.2551 105.6649 -206218.8557 17886.1318 0.0000 0.0000 34308.6788 -149101.3601 299.6262 -183410.0389 -149007.0316 299.3368 -38.5096 -5.0310 557704.1194 4.3275 4.2763 PRESSURE: 3861000 -25.41 230.891 -79.2856 230.892 -74.3017 51.6862 -79.2852 51.6838 -223.339 GPRESSURE: 3861000 19.1267 245.923 -75.9977 191.243 -4.61286 -10.6432 -110.854 78.1968 -244.526 PRESSAVG: 3861000 -23.1719 -8.42616 5.15542 -8.42625 84.0454 -28.2636 5.15548 -28.2636 -38.7552 GPRESSAVG: 3861000 -22.7726 -9.71798 2.95092 -6.93177 83.788 -28.7696 7.59619 -29.7935 -38.3358 TIMING: 3861000 CPU: 11219.7, 0.00291577/step Wall: 11219.7, 0.00291577/step, 0.922519 hours remaining, 206.585938 MB of memory in use. ENERGY: 3861000 749.0038 2083.6531 1973.8650 120.7698 -205807.3220 17592.0542 0.0000 0.0000 34179.9698 -149108.0063 298.5022 -183287.9760 -149003.2760 299.7669 -107.6836 -76.6707 556068.9118 7.3728 7.5599 PRESSURE: 3861200 207.318 -104.337 136.066 -104.336 261.074 20.2975 136.067 20.296 -30.027 GPRESSURE: 3861200 258.065 -101.052 136.884 -122.312 272.405 0.142016 80.2173 -6.53148 -1.77521 PRESSAVG: 3861200 6.54151 -34.8184 -27.9465 -34.8183 69.8383 -24.0449 -27.9465 -24.045 -71.9458 GPRESSAVG: 3861200 5.57767 -33.021 -26.9742 -35.2957 69.3165 -26.674 -29.479 -21.7365 -71.1673 TIMING: 3861200 CPU: 11220.3, 0.00292422/step Wall: 11220.3, 0.00292422/step, 0.925029 hours remaining, 206.585938 MB of memory in use. ENERGY: 3861200 740.7793 2093.5757 1945.7659 118.1287 -206372.3756 18011.6434 0.0000 0.0000 34448.3352 -149014.1473 300.8459 -183462.4825 -148913.2200 299.9796 146.1218 176.2315 555307.3093 1.4780 1.2423 PRESSURE: 3861400 97.8661 113.007 259.035 113.008 77.8131 -35.7114 259.038 -35.7112 17.6157 GPRESSURE: 3861400 162.648 147.393 244.617 125.182 105.913 -5.23283 233.753 -81.7252 16.5303 PRESSAVG: 3861400 16.9476 0.956395 -0.111457 0.956364 100.72 30.8694 -0.111364 30.8694 -103.298 GPRESSAVG: 3861400 15.886 0.581289 1.23897 2.5648 101.504 31.0508 -0.368169 28.633 -103.378 TIMING: 3861400 CPU: 11220.9, 0.00291346/step Wall: 11220.9, 0.00291346/step, 0.921463 hours remaining, 206.585938 MB of memory in use. ENERGY: 3861400 753.1821 2080.6054 1969.0705 106.6220 -206518.7213 17986.4512 0.0000 0.0000 34418.0094 -149204.7808 300.5810 -183622.7902 -149108.6139 300.0256 64.4316 95.0306 555086.5086 4.7898 4.6708 PRESSURE: 3861600 -146.752 96.4544 -5.32929 96.4542 -361.401 -256.439 -5.32964 -256.437 -82.0688 GPRESSURE: 3861600 -149.79 102.734 44.9953 37.9589 -286.676 -316.86 -16.891 -207.58 -57.0078 PRESSAVG: 3861600 -0.529358 -42.5656 34.8641 -42.5655 -30.3921 -19.5787 34.8641 -19.5786 15.3783 GPRESSAVG: 3861600 0.968822 -39.1541 31.7879 -44.8806 -32.1647 -18.1125 37.6871 -16.8363 15.7564 TIMING: 3861600 CPU: 11221.5, 0.00291001/step Wall: 11221.5, 0.00291001/step, 0.920209 hours remaining, 206.675781 MB of memory in use. ENERGY: 3861600 750.1598 2153.4921 1937.3986 100.7795 -205992.5912 17480.9793 0.0000 0.0000 34405.3614 -149164.4206 300.4706 -183569.7820 -149070.3730 299.6104 -196.7404 -164.4911 556359.2679 -5.1811 -5.1465 PRESSURE: 3861800 69.9007 -95.7534 128.15 -95.7533 -50.1353 44.3283 128.148 44.3292 23.8432 GPRESSURE: 3861800 49.2121 -95.4866 166.255 -58.4321 54.4249 63.4088 46.713 73.3276 37.6205 PRESSAVG: 3861800 8.62884 -4.45029 31.499 -4.45025 -22.1677 -9.13882 31.499 -9.13879 -33.5626 GPRESSAVG: 3861800 7.57232 -7.81315 35.3393 -3.65372 -21.8562 -7.99931 26.6679 -10.2704 -33.3005 TIMING: 3861800 CPU: 11222.1, 0.00291125/step Wall: 11222.1, 0.00291125/step, 0.920441 hours remaining, 206.675781 MB of memory in use. ENERGY: 3861800 757.7877 2076.0392 1953.2972 107.1096 -206300.6579 17962.2001 0.0000 0.0000 34380.5923 -149063.6318 300.2543 -183444.2241 -148967.0956 300.1699 14.5362 47.0858 556732.7606 -15.7005 -15.8615 PRESSURE: 3862000 -135.96 -89.451 -0.912503 -89.4502 212.766 112.458 -0.912228 112.458 247.223 GPRESSURE: 3862000 -57.6593 -55.0848 -39.0065 -175.157 238.967 110.516 -12.122 121.088 228.691 PRESSAVG: 3862000 9.73508 13.9211 8.46015 13.9211 8.00369 31.7627 8.46013 31.7627 11.6241 GPRESSAVG: 3862000 9.73478 12.8062 5.57637 14.0219 7.65106 32.2207 12.639 31.8235 11.6055 TIMING: 3862000 CPU: 11222.7, 0.00292855/step Wall: 11222.7, 0.00292855/step, 0.925746 hours remaining, 206.675781 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: 3862000 765.0557 2097.7176 1943.2912 116.3785 -206366.8272 18001.6606 0.0000 0.0000 34321.6332 -149121.0904 299.7394 -183442.7236 -149026.6867 300.3277 108.0095 136.6661 555800.9071 9.7876 9.6638 PRESSURE: 3862200 -273.8 -3.23036 68.4831 -3.22933 22.9363 55.2925 68.4827 55.292 -3.40286 GPRESSURE: 3862200 -261.239 -29.1699 90.2819 70.6165 14.6768 8.88601 -42.2585 61.7563 76.7107 PRESSAVG: 3862200 -56.5908 -24.7924 48.7495 -24.7925 56.446 43.0524 48.7495 43.0524 24.1486 GPRESSAVG: 3862200 -57.1832 -23.1187 50.6731 -25.0671 57.9718 41.303 45.9141 43.5915 22.9953 TIMING: 3862200 CPU: 11223.2, 0.00293655/step Wall: 11223.2, 0.00293655/step, 0.928114 hours remaining, 206.675781 MB of memory in use. ENERGY: 3862200 742.0277 2127.5421 1944.3875 97.6647 -205625.5809 17483.5276 0.0000 0.0000 34233.2820 -148997.1492 298.9678 -183230.4312 -148907.2620 300.4186 -84.7555 -56.6172 556567.3194 8.0013 7.9280 PRESSURE: 3862400 53.0014 65.177 32.3528 65.1772 47.491 -52.5296 32.3521 -52.5294 261.532 GPRESSURE: 3862400 105.166 -4.7374 93.8765 49.4881 95.6567 43.2241 -0.326672 -54.4978 257.877 PRESSAVG: 3862400 23.2331 36.5107 -17.1581 36.5107 -11.3643 22.6452 -17.1581 22.6453 11.2547 GPRESSAVG: 3862400 23.4567 35.7211 -17.8177 37.3404 -12.376 24.1257 -14.012 23.6828 11.3481 TIMING: 3862400 CPU: 11223.8, 0.00295309/step Wall: 11223.8, 0.00295309/step, 0.933177 hours remaining, 206.675781 MB of memory in use. ENERGY: 3862400 715.5789 2067.8597 1970.1999 124.6029 -205805.0401 17950.8356 0.0000 0.0000 34073.5185 -148902.4447 297.5725 -182975.9631 -148804.4956 299.5078 120.6749 152.9000 557340.8154 7.7078 7.4763 PRESSURE: 3862600 159.833 64.5249 96.9404 64.525 -100.018 53.8226 96.9416 53.8212 -22.6702 GPRESSURE: 3862600 228.579 158.066 51.2458 -3.24789 -49.3691 34.7303 105.334 40.4207 -41.8453 PRESSAVG: 3862600 43.3671 27.7151 50.1607 27.7151 -8.97313 41.4824 50.1607 41.4824 18.3341 GPRESSAVG: 3862600 44.0448 28.2593 48.7427 28.5166 -8.28035 41.5488 50.1844 38.921 16.2892 TIMING: 3862600 CPU: 11224.4, 0.00293969/step Wall: 11224.4, 0.00293969/step, 0.92878 hours remaining, 206.675781 MB of memory in use. ENERGY: 3862600 754.5411 2126.0377 1966.9129 98.0300 -206346.3157 17785.6792 0.0000 0.0000 34533.4870 -149081.6277 301.5895 -183615.1147 -148973.9364 299.2048 12.3816 45.7882 557968.0868 17.5760 17.3512 PRESSURE: 3862800 -66.3666 81.5182 71.2525 81.5174 -142.552 -61.647 71.2526 -61.6461 175.485 GPRESSURE: 3862800 -51.074 77.037 60.0093 61.7362 -100.394 -90.7509 9.10128 -115.672 216.864 PRESSAVG: 3862800 30.6209 11.4295 16.2453 11.4294 -87.3312 -43.4877 16.2453 -43.4877 64.6185 GPRESSAVG: 3862800 30.4398 10.1478 17.3856 11.2994 -87.0827 -43.7452 15.1637 -41.1814 65.0251 TIMING: 3862800 CPU: 11225, 0.00291638/step Wall: 11225, 0.00291638/step, 0.921253 hours remaining, 206.675781 MB of memory in use. ENERGY: 3862800 754.1169 2166.2912 1960.8272 120.0248 -206280.1816 17847.9745 0.0000 0.0000 34402.1787 -149028.7685 300.4428 -183430.9472 -148928.8048 299.8576 -11.1444 21.7986 559004.2320 2.6361 2.7941 PRESSURE: 3863000 -352.706 39.1084 -68.2619 39.1088 -323.572 285.24 -68.2636 285.241 -403.262 GPRESSURE: 3863000 -315.179 -35.3951 -57.9186 53.8262 -307.089 325.47 -10.071 230.485 -354.189 PRESSAVG: 3863000 -7.56322 -45.6246 29.205 -45.6247 -29.5325 22.9644 29.2051 22.9645 8.78973 GPRESSAVG: 3863000 -8.02985 -46.1313 29.7957 -46.1618 -29.6185 22.5738 27.9465 22.3744 9.54453 TIMING: 3863000 CPU: 11225.6, 0.00294216/step Wall: 11225.6, 0.00294216/step, 0.929232 hours remaining, 206.675781 MB of memory in use. ENERGY: 3863000 773.7647 2161.6137 1954.4357 118.0612 -205556.8756 17250.7154 0.0000 0.0000 34323.6057 -148974.6792 299.7566 -183298.2850 -148874.7842 300.2218 -359.8466 -325.4859 559053.4951 -9.4353 -9.3679 PRESSURE: 3863200 10.7145 -22.3541 -137.628 -22.3544 -160.415 10.3814 -137.627 10.3798 47.0548 GPRESSURE: 3863200 11.9745 -0.93342 -70.0279 -44.4023 -93.8466 -7.82244 -62.7564 18.7438 86.0398 PRESSAVG: 3863200 -17.4746 -10.8236 27.6301 -10.8236 -8.3 -35.3741 27.6302 -35.3742 8.96142 GPRESSAVG: 3863200 -17.1377 -8.9158 27.2878 -9.99993 -10.0784 -34.0851 28.9456 -36.7613 10.2699 TIMING: 3863200 CPU: 11226.2, 0.00291373/step Wall: 11226.2, 0.00291373/step, 0.92009 hours remaining, 206.675781 MB of memory in use. ENERGY: 3863200 775.6272 2113.1216 1966.4616 129.0529 -206476.6095 17872.8641 0.0000 0.0000 34425.5011 -149193.9809 300.6465 -183619.4820 -149103.8042 299.4178 -34.2152 1.3892 557198.9245 -5.6044 -5.6487 PRESSURE: 3863400 368.475 100.543 -30.5706 100.544 111.853 144.058 -30.5698 144.058 -46.3596 GPRESSURE: 3863400 406.529 49.7137 -12.341 96.2246 132.345 99.2384 -80.7689 199.186 -18.2845 PRESSAVG: 3863400 82.8235 6.12076 22.9718 6.1207 -2.15081 -18.428 22.9718 -18.4281 -35.0008 GPRESSAVG: 3863400 83.317 4.03885 22.0245 5.49899 -0.545922 -22.4675 23.3718 -16.9906 -36.848 TIMING: 3863400 CPU: 11226.8, 0.00292091/step Wall: 11226.8, 0.00292091/step, 0.922198 hours remaining, 206.675781 MB of memory in use. ENERGY: 3863400 740.0305 2059.0661 1965.9590 108.8412 -206228.2212 17885.9556 0.0000 0.0000 34368.9420 -149099.4268 300.1525 -183468.3688 -148998.3276 298.9546 144.6559 173.5296 556838.3748 15.2240 15.3077 PRESSURE: 3863600 -67.766 28.182 20.819 28.1818 -273.973 31.4802 20.8193 31.4797 -318.64 GPRESSURE: 3863600 -81.1129 5.79523 28.8385 60.0836 -225.618 59.5311 151.247 14.0491 -255.155 PRESSAVG: 3863600 32.0736 -5.0133 -3.51646 -5.01326 3.37562 -16.79 -3.51651 -16.7898 7.04258 GPRESSAVG: 3863600 31.7689 -3.0141 -3.50271 -6.06909 0.614818 -14.8427 -4.17617 -16.3579 9.62609 TIMING: 3863600 CPU: 11227.3, 0.00293385/step Wall: 11227.3, 0.00293385/step, 0.926119 hours remaining, 206.675781 MB of memory in use. ENERGY: 3863600 724.9460 2088.7701 1969.5356 120.7878 -205847.0075 17419.2584 0.0000 0.0000 34252.1864 -149271.5231 299.1329 -183523.7095 -149172.5302 298.8464 -220.1264 -187.2953 557480.6069 14.1639 14.0033 PRESSURE: 3863800 328.391 147.483 -124.37 147.483 103.242 117.32 -124.371 117.32 -15.7645 GPRESSURE: 3863800 357.028 180.981 -209.529 39.7477 142.867 169.769 -86.6907 44.7035 16.7905 PRESSAVG: 3863800 4.80625 19.0722 35.8174 19.0722 -21.9602 17.4955 35.8174 17.4954 1.18158 GPRESSAVG: 3863800 5.56982 17.4119 36.9386 21.617 -21.1017 19.7229 36.053 16.7539 -0.413717 TIMING: 3863800 CPU: 11227.9, 0.00290887/step Wall: 11227.9, 0.00290887/step, 0.91807 hours remaining, 206.675781 MB of memory in use. ENERGY: 3863800 724.8883 2129.6087 1931.7714 110.7676 -206098.1716 17866.1742 0.0000 0.0000 34129.5646 -149205.3967 298.0620 -183334.9613 -149111.5091 299.2654 138.6229 172.2283 555892.1681 -5.3241 -5.3152 PRESSURE: 3864000 -90.6246 11.6702 99.2173 11.6709 21.1192 69.3667 99.2179 69.366 -15.268 GPRESSURE: 3864000 -68.8343 43.3144 172.799 69.0319 16.3662 -71.711 120.133 139.596 64.093 PRESSAVG: 3864000 57.1262 -13.4612 24.5739 -13.4612 -43.4386 48.5841 24.574 48.5841 -21.3719 GPRESSAVG: 3864000 55.9183 -11.9508 25.5018 -14.8654 -42.7481 46.4427 24.0351 49.7034 -21.0426 TIMING: 3864000 CPU: 11228.5, 0.00291889/step Wall: 11228.5, 0.00291888/step, 0.92107 hours remaining, 206.675781 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: 3864000 751.2777 2057.6926 1936.9465 117.0550 -206124.7669 17708.7537 0.0000 0.0000 34419.5950 -149133.4463 300.5949 -183553.0413 -149038.3582 299.9536 -28.2578 3.8750 556968.7457 -2.5614 -2.6241 PRESSURE: 3864200 -242.637 37.7308 -79.8974 37.73 -220.154 102.408 -79.8976 102.409 -138.184 GPRESSURE: 3864200 -185.851 7.51264 -28.914 46.0085 -193.272 74.8712 -141.184 76.483 -131.64 PRESSAVG: 3864200 -47.361 2.84355 53.9525 2.84353 1.58274 23.9076 53.9524 23.9076 34.6327 GPRESSAVG: 3864200 -46.9486 4.05291 51.8248 2.32954 1.82277 24.9128 57.6685 22.7906 33.7269 TIMING: 3864200 CPU: 11229.1, 0.00292376/step Wall: 11229.1, 0.00292376/step, 0.922446 hours remaining, 206.675781 MB of memory in use. ENERGY: 3864200 749.0948 2083.0062 1977.4637 105.4480 -205741.1917 17439.6784 0.0000 0.0000 34266.6244 -149119.8761 299.2590 -183386.5005 -149020.5101 300.0366 -200.3250 -170.2541 558556.0100 -3.7152 -3.7996 LDB: ============= START OF LOAD BALANCING ============== 11232.6 LDB: ============== END OF LOAD BALANCING =============== 11232.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11232.6 LDB: ============= START OF LOAD BALANCING ============== 11232.9 LDB: Largest compute 4848 load 0.029410 is 25.0% of average load 0.117810 LDB: Average compute 0.001743 is 1.5% of average load 0.117810 LDB: TIME 11232.9 LOAD: AVG 0.11781 MAX 0.18075 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 11232.9 LOAD: AVG 0.11781 MAX 0.18075 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: TIME 11232.9 LOAD: AVG 0.11781 MAX 0.18075 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.332 MB LDB: ============== END OF LOAD BALANCING =============== 11232.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11232.9 PRESSURE: 3864400 -88.4101 -87.8775 41.2768 -87.8768 18.0857 -27.7211 41.2776 -27.7224 71.0305 GPRESSURE: 3864400 -123.824 -58.0523 -14.8015 -82.6584 87.0454 23.8734 84.3332 -4.21984 136.15 PRESSAVG: 3864400 -40.3517 7.05521 -37.9578 7.0552 50.9669 16.2907 -37.9577 16.2909 -28.9773 GPRESSAVG: 3864400 -40.6983 5.61429 -35.8223 7.07905 50.7069 18.2805 -39.5846 15.8326 -28.2817 TIMING: 3864400 CPU: 11229.7, 0.00298736/step Wall: 11229.7, 0.00298736/step, 0.942345 hours remaining, 207.867188 MB of memory in use. ENERGY: 3864400 719.7564 2125.1994 1912.0749 111.6601 -206079.9634 17851.8836 0.0000 0.0000 34322.1809 -149037.2080 299.7441 -183359.3889 -148941.0104 300.2280 0.2353 33.1237 557520.9017 -6.1207 -6.0910 PRESSURE: 3864600 162.24 56.7071 82.3792 56.7067 180.313 -20.1748 82.3785 -20.1762 173.441 GPRESSURE: 3864600 213.219 140.9 30.7444 69.2279 225.311 -125.268 74.561 115.303 181.009 PRESSAVG: 3864600 11.2088 -8.73654 -6.67286 -8.73658 44.7636 32.7414 -6.67279 32.7414 -13.2978 GPRESSAVG: 3864600 10.9408 -7.67178 -7.19955 -7.00057 45.562 30.6396 -8.26402 33.2523 -13.2359 TIMING: 3864600 CPU: 11230.3, 0.0029332/step Wall: 11230.3, 0.0029332/step, 0.925098 hours remaining, 208.070312 MB of memory in use. ENERGY: 3864600 764.4537 2131.9330 1956.2928 112.7887 -206193.4208 17946.9059 0.0000 0.0000 34052.6487 -149228.3980 297.3903 -183281.0467 -149130.9724 299.4258 171.9982 206.5133 557675.7646 14.2249 14.4223 PRESSURE: 3864800 -74.2448 57.4475 -74.1926 57.4475 -22.3122 5.02866 -74.1933 5.02977 115.523 GPRESSURE: 3864800 -66.5639 37.9811 -72.1179 50.5429 86.1932 1.23594 -14.9474 30.369 108.966 PRESSAVG: 3864800 -64.7962 22.7554 -22.3848 22.7553 32.499 -26.4851 -22.3849 -26.4851 34.0382 GPRESSAVG: 3864800 -65.8405 22.8712 -22.131 20.628 32.4613 -25.3604 -22.3045 -27.3604 34.8136 TIMING: 3864800 CPU: 11230.9, 0.00294936/step Wall: 11230.9, 0.00294936/step, 0.930033 hours remaining, 208.070312 MB of memory in use. ENERGY: 3864800 756.9741 2138.8031 1945.7948 121.9481 -205949.2313 17648.3946 0.0000 0.0000 34034.1959 -149303.1208 297.2291 -183337.3167 -149205.8753 298.5305 6.3219 42.8652 556726.5858 0.5803 0.4782 PRESSURE: 3865000 -262.979 -135.77 147.046 -135.769 -97.0165 35.3775 147.046 35.3774 -267.711 GPRESSURE: 3865000 -260.611 -120.581 142.295 -89.5734 -81.9205 68.9021 165.128 -13.6635 -186.09 PRESSAVG: 3865000 -14.0442 -38.4706 59.121 -38.4705 -57.9787 -7.57313 59.121 -7.57311 57.9724 GPRESSAVG: 3865000 -12.8418 -40.892 58.6085 -35.8413 -58.9538 -8.82579 60.197 -7.24544 57.9048 TIMING: 3865000 CPU: 11231.5, 0.00294284/step Wall: 11231.5, 0.00294283/step, 0.92781 hours remaining, 208.070312 MB of memory in use. ENERGY: 3865000 790.8652 2102.8243 1954.4303 102.3446 -205965.5892 17468.9909 0.0000 0.0000 34250.3478 -149295.7863 299.1168 -183546.1341 -149199.8408 298.9029 -209.2353 -176.2072 558047.2349 -4.6835 -4.6302 PRESSURE: 3865200 326.061 -71.7465 194.753 -71.746 65.1913 65.7013 194.754 65.6999 105.401 GPRESSURE: 3865200 320.741 -91.7213 210.298 -52.0916 89.5151 96.7686 164.811 -3.44295 173.253 PRESSAVG: 3865200 75.7568 11.2286 72.3142 11.2284 -83.3104 8.57633 72.3142 8.57638 -41.55 GPRESSAVG: 3865200 76.0394 12.5128 73.4215 10.9477 -83.4011 7.59796 70.9295 8.75382 -41.9278 TIMING: 3865200 CPU: 11232, 0.0029338/step Wall: 11232, 0.0029338/step, 0.924798 hours remaining, 208.070312 MB of memory in use. ENERGY: 3865200 777.7233 2118.9705 1937.1453 109.1630 -206579.6883 18035.3152 0.0000 0.0000 34412.7016 -149188.6695 300.5347 -183601.3710 -149093.8554 299.0561 165.5514 194.5028 557099.0065 -16.3679 -16.4298 PRESSURE: 3865400 205.357 5.50067 171.042 5.50027 93.8829 -42.525 171.042 -42.5235 110.452 GPRESSURE: 3865400 301.844 1.65755 223.16 -27.2951 83.3013 5.28277 137.509 -56.5924 120.627 PRESSAVG: 3865400 26.0534 -40.2448 33.3071 -40.2448 1.5876 -38.8817 33.3071 -38.8817 -40.3184 GPRESSAVG: 3865400 25.8565 -40.0968 33.4014 -41.6788 1.5969 -38.2535 36.1652 -39.2014 -40.1308 TIMING: 3865400 CPU: 11232.6, 0.00295817/step Wall: 11232.6, 0.00295817/step, 0.932318 hours remaining, 208.070312 MB of memory in use. ENERGY: 3865400 748.4418 2042.9956 1985.7792 107.9224 -206512.1609 18095.6374 0.0000 0.0000 34157.2172 -149374.1673 298.3035 -183531.3845 -149286.1094 299.8790 136.5641 168.5907 556827.1518 -4.2258 -4.2258 PRESSURE: 3865600 -113.719 -77.8869 39.8912 -77.887 148.5 37.7763 39.891 37.7753 -170.735 GPRESSURE: 3865600 -82.1659 -144.636 54.7971 -72.0026 131.432 76.9528 -71.9789 19.99 -100.516 PRESSAVG: 3865600 -10.2178 17.1468 8.92683 17.1469 22.2987 -21.7594 8.92678 -21.7594 26.1311 GPRESSAVG: 3865600 -10.9701 17.4986 8.31385 17.7982 22.6795 -21.9051 6.52913 -21.3713 26.6406 TIMING: 3865600 CPU: 11233.2, 0.00294167/step Wall: 11233.2, 0.00294167/step, 0.926954 hours remaining, 208.070312 MB of memory in use. ENERGY: 3865600 782.5995 2114.2264 1963.6821 106.2736 -206049.8810 17629.8495 0.0000 0.0000 34103.3454 -149349.9045 297.8330 -183453.2499 -149257.7697 298.8544 -45.3179 -17.0831 556708.6066 12.7373 12.7833 PRESSURE: 3865800 41.0133 4.73256 75.0591 4.73205 -15.6798 -166.462 75.0583 -166.461 -122.804 GPRESSURE: 3865800 72.9881 -55.9979 64.3107 -40.167 9.21879 -131.441 96.2599 -145.039 -84.3038 PRESSAVG: 3865800 -31.9929 -13.8542 5.05579 -13.8542 27.8966 19.9946 5.05575 19.9947 11.0529 GPRESSAVG: 3865800 -31.7204 -13.5703 4.37153 -14.5792 28.3375 19.5107 5.20685 21.0397 10.7255 TIMING: 3865800 CPU: 11233.8, 0.00291629/step Wall: 11233.8, 0.00291629/step, 0.918794 hours remaining, 208.070312 MB of memory in use. ENERGY: 3865800 757.4640 2111.8824 1951.0033 108.4103 -206273.5832 17888.0436 0.0000 0.0000 33997.4216 -149459.3580 296.9079 -183456.7796 -149357.2090 298.1298 -32.4901 -0.6990 557425.6333 2.3188 2.4475 PRESSURE: 3866000 49.1433 50.619 -94.9964 50.619 48.9787 101.776 -94.9958 101.776 -102.715 GPRESSURE: 3866000 38.2083 -26.9324 -104.257 126.224 96.6421 94.6805 -109.498 130.042 -48.4835 PRESSAVG: 3866000 -9.67592 -31.6565 -21.3359 -31.6566 6.67927 -41.8766 -21.3359 -41.8766 69.3992 GPRESSAVG: 3866000 -10.3 -30.8313 -20.4555 -30.7061 6.72787 -40.5362 -20.0682 -42.2286 69.8012 TIMING: 3866000 CPU: 11234.4, 0.00291152/step Wall: 11234.4, 0.00291152/step, 0.917128 hours remaining, 208.070312 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: 3866000 753.8388 2104.8254 1944.7179 105.5326 -206496.4923 17975.6409 0.0000 0.0000 34277.6277 -149334.3090 299.3550 -183611.9368 -149243.1478 298.1070 -1.5308 28.7890 558055.6916 22.1342 22.0764 PRESSURE: 3866200 114.492 120.616 48.8044 120.617 -97.2226 -49.16 48.8045 -49.1589 128.991 GPRESSURE: 3866200 76.7888 169.294 107.153 122.52 -28.3856 84.8669 40.9165 -107.89 196.523 PRESSAVG: 3866200 34.1841 20.4523 25.6908 20.4524 -77.0207 -11.5925 25.6908 -11.5925 52.3939 GPRESSAVG: 3866200 35.1971 20.1325 24.794 20.5588 -76.7668 -11.3815 24.2208 -12.6649 51.4832 TIMING: 3866200 CPU: 11235, 0.00291771/step Wall: 11235, 0.00291771/step, 0.918916 hours remaining, 208.070312 MB of memory in use. ENERGY: 3866200 695.3988 2053.8594 1968.9173 112.1408 -206277.1652 17873.0112 0.0000 0.0000 34219.0264 -149354.8113 298.8433 -183573.8377 -149255.3311 298.2773 48.7534 81.6422 556583.2641 3.1858 3.3045 PRESSURE: 3866400 328.327 -61.898 -24.9125 -61.8993 16.7952 222.159 -24.9135 222.159 240.127 GPRESSURE: 3866400 351.847 -103.866 62.1139 65.0393 18.7039 164.38 -81.8391 217.442 312.047 PRESSAVG: 3866400 -56.8154 -25.8313 -18.3307 -25.8313 14.8984 -23.7453 -18.3307 -23.7453 57.4938 GPRESSAVG: 3866400 -56.6108 -23.5433 -19.3222 -25.582 14.1643 -25.1526 -18.5238 -22.2109 58.0833 TIMING: 3866400 CPU: 11235.6, 0.00289925/step Wall: 11235.6, 0.00289925/step, 0.91294 hours remaining, 208.273438 MB of memory in use. ENERGY: 3866400 749.4393 2100.2231 1955.6752 116.1435 -206375.7150 18121.7314 0.0000 0.0000 34045.5980 -149286.9044 297.3287 -183332.5025 -149191.3553 298.6972 195.0830 227.5326 556931.9392 5.1923 5.2123 PRESSURE: 3866600 65.85 155.733 -76.5895 155.733 -69.6382 -11.6691 -76.5907 -11.6694 15.2689 GPRESSURE: 3866600 60.9985 153.554 -171.066 161.29 -37.3549 -62.9946 -60.8708 24.3522 78.0473 PRESSAVG: 3866600 5.53673 18.5967 -52.2173 18.5967 -43.4418 -10.048 -52.2173 -10.0479 41.6237 GPRESSAVG: 3866600 5.05697 17.3581 -51.5802 17.4062 -42.8653 -10.192 -51.9894 -11.3451 42.1891 TIMING: 3866600 CPU: 11236.1, 0.00288587/step Wall: 11236.1, 0.00288587/step, 0.908569 hours remaining, 208.273438 MB of memory in use. ENERGY: 3866600 765.8383 2073.6999 1965.4118 120.7243 -206680.5784 18044.9860 0.0000 0.0000 34247.0434 -149462.8747 299.0879 -183709.9180 -149362.8750 298.2842 3.8269 33.8970 557296.4167 1.2396 1.4603 PRESSURE: 3866800 -127.928 -7.56895 12.3437 -7.56867 -286.361 52.0903 12.3448 52.0904 -149.479 GPRESSURE: 3866800 -91.7508 -134.126 77.7011 34.2933 -266.579 -25.9856 -33.5068 133.326 -122.134 PRESSAVG: 3866800 58.7008 -11.497 -30.0573 -11.497 -83.6213 1.55355 -30.0574 1.55365 31.4544 GPRESSAVG: 3866800 59.6461 -11.4974 -28.6361 -11.1967 -84.2379 2.40714 -29.8735 2.00481 30.9498 TIMING: 3866800 CPU: 11236.7, 0.00293295/step Wall: 11236.7, 0.00293295/step, 0.923226 hours remaining, 208.273438 MB of memory in use. ENERGY: 3866800 745.6913 2064.2790 1967.1297 105.6663 -206079.3989 17417.9321 0.0000 0.0000 34299.1646 -149479.5358 299.5431 -183778.7004 -149381.6020 298.7071 -187.9226 -160.1544 556853.9411 2.1780 2.1194 PRESSURE: 3867000 176.315 -20.8484 -34.4745 -20.8489 9.99658 -97.6548 -34.4749 -97.6538 -4.19489 GPRESSURE: 3867000 271.543 44.1867 -45.5151 -63.475 5.93177 -91.6782 3.54112 -60.3194 1.60933 PRESSAVG: 3867000 66.174 24.7672 -65.6134 24.7673 -103.097 2.46775 -65.6134 2.46767 51.65 GPRESSAVG: 3867000 65.6445 25.4723 -64.7567 22.6639 -101.857 1.10924 -66.3424 2.09156 51.0371 TIMING: 3867000 CPU: 11237.3, 0.00290695/step Wall: 11237.3, 0.00290695/step, 0.914882 hours remaining, 208.273438 MB of memory in use. ENERGY: 3867000 745.8414 2097.8746 1965.5715 108.5185 -206670.4926 18052.5917 0.0000 0.0000 34219.3190 -149480.7759 298.8458 -183700.0949 -149388.8634 299.1242 60.7055 93.0282 556224.7358 4.9091 4.9415 PRESSURE: 3867200 179.337 -119.44 86.4267 -119.44 -257.285 0.987643 86.4281 0.986169 200.489 GPRESSURE: 3867200 161.793 -80.5563 126.169 -136.224 -221.927 23.5211 71.0207 -1.01002 263.456 PRESSAVG: 3867200 3.127 51.9191 56.3762 51.9191 -49.4792 36.8899 56.3763 36.89 64.8381 GPRESSAVG: 3867200 3.09291 50.2238 54.5769 51.9728 -49.4729 39.091 58.9453 37.4475 65.0473 TIMING: 3867200 CPU: 11237.9, 0.00289096/step Wall: 11237.9, 0.00289096/step, 0.909688 hours remaining, 208.273438 MB of memory in use. ENERGY: 3867200 779.5384 2105.4218 1976.6623 109.7846 -206449.6181 17877.4439 0.0000 0.0000 34096.1620 -149504.6051 297.7703 -183600.7671 -149408.2980 298.3169 40.8469 67.7739 556065.0887 6.1620 6.2224 PRESSURE: 3867400 -72.541 -101.02 -69.6682 -101.021 -82.4827 -28.3213 -69.6677 -28.3232 264.813 GPRESSURE: 3867400 -31.6142 -182.562 -146.73 37.1135 -18.5591 -114.4 9.63971 25.4883 258.12 PRESSAVG: 3867400 34.0283 16.3394 43.581 16.3395 -40.581 24.1894 43.581 24.1893 42.2318 GPRESSAVG: 3867400 34.7735 17.3698 43.4094 16.925 -40.969 23.8685 44.8895 23.3937 41.7394 TIMING: 3867400 CPU: 11238.5, 0.00292071/step Wall: 11238.5, 0.00292071/step, 0.918889 hours remaining, 208.273438 MB of memory in use. ENERGY: 3867400 777.2309 2090.3330 1967.1125 111.5456 -206594.9336 17998.1739 0.0000 0.0000 34155.1226 -149495.4151 298.2852 -183650.5377 -149387.0077 298.2145 36.5965 69.3156 556905.6226 11.8930 11.8480 PRESSURE: 3867600 -183.66 -108.232 123.791 -108.233 18.5964 -67.557 123.792 -67.5589 -21.3974 GPRESSURE: 3867600 -142.793 -81.6285 91.8914 -91.8071 25.872 -128.595 207.923 -74.0521 23.948 PRESSAVG: 3867600 -81.8685 -21.0577 24.8507 -21.0576 2.6216 -20.5077 24.8507 -20.5076 90.7668 GPRESSAVG: 3867600 -82.6376 -21.1324 25.8351 -19.5797 2.05709 -24.6412 23.0583 -18.1175 92.4056 TIMING: 3867600 CPU: 11239, 0.00292143/step Wall: 11239, 0.00292143/step, 0.918953 hours remaining, 208.273438 MB of memory in use. ENERGY: 3867600 783.5921 2076.0627 1967.2058 107.1233 -206353.2288 17818.2274 0.0000 0.0000 34114.9734 -149486.0441 297.9345 -183601.0175 -149389.3779 298.8271 -62.1537 -30.9909 556830.7127 3.8400 3.9417 PRESSURE: 3867800 -99.4247 -178.872 151.17 -178.872 472.698 -228.91 151.17 -228.91 222.122 GPRESSURE: 3867800 -89.4524 -125.83 140.878 -215.691 489.704 -203.37 131.428 -189.793 271.896 PRESSAVG: 3867800 -96.6581 -37.0252 9.43654 -37.0253 -10.2251 -31.2481 9.43646 -31.2482 69.4824 GPRESSAVG: 3867800 -96.0693 -39.2985 8.54333 -33.1529 -9.53706 -27.2616 9.38199 -32.3363 68.0759 TIMING: 3867800 CPU: 11239.6, 0.00292171/step Wall: 11239.6, 0.00292171/step, 0.918877 hours remaining, 208.273438 MB of memory in use. ENERGY: 3867800 710.9252 2149.6812 1985.5422 111.9265 -206671.9860 18042.3611 0.0000 0.0000 34220.0781 -149451.4717 298.8525 -183671.5498 -149352.1517 298.7406 198.4653 224.0492 555756.7440 -12.4670 -12.5101 PRESSURE: 3868000 -191.869 25.2468 -133.629 25.2466 -58.779 -189.701 -133.63 -189.7 -124.169 GPRESSURE: 3868000 -166.419 32.981 -138.709 25.3384 -15.668 -279.547 -212.365 -131.882 -103.991 PRESSAVG: 3868000 -0.719955 39.1234 -27.1713 39.1233 15.3479 -10.8309 -27.1713 -10.8309 -41.4286 GPRESSAVG: 3868000 -0.682225 39.2681 -26.5117 34.6586 14.4527 -13.349 -28.9823 -10.8549 -40.8342 TIMING: 3868000 CPU: 11240.2, 0.00292345/step Wall: 11240.2, 0.00292345/step, 0.919262 hours remaining, 208.273438 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: 3868000 772.4071 2129.5370 1961.7957 130.3672 -206265.1801 17594.4664 0.0000 0.0000 34193.8465 -149482.7603 298.6234 -183676.6068 -149394.7645 298.5489 -124.9389 -95.3594 557158.2821 -8.9335 -9.0213 PRESSURE: 3868200 -102.973 -100.276 72.5928 -100.275 293.424 -130.811 72.5918 -130.812 19.191 GPRESSURE: 3868200 -81.9077 -193.339 14.4069 -142.71 303.308 -127.161 110.167 -134.241 73.3633 PRESSAVG: 3868200 -57.6922 28.1553 -28.5737 28.1553 27.4651 -13.0595 -28.5737 -13.0595 37.3966 GPRESSAVG: 3868200 -57.7193 28.2412 -29.0871 27.3494 27.2808 -12.3146 -26.6391 -13.3414 38.1814 TIMING: 3868200 CPU: 11240.8, 0.00289211/step Wall: 11240.8, 0.00289211/step, 0.909246 hours remaining, 208.273438 MB of memory in use. ENERGY: 3868200 748.0482 2056.7715 1963.0457 114.6081 -206562.1718 17970.2318 0.0000 0.0000 34127.8296 -149581.6369 298.0468 -183709.4665 -149477.1787 298.8053 69.8805 98.2547 556303.0355 2.3898 2.5810 LDB: ============= START OF LOAD BALANCING ============== 11244.3 LDB: ============== END OF LOAD BALANCING =============== 11244.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11244.3 LDB: ============= START OF LOAD BALANCING ============== 11244.6 LDB: Largest compute 4848 load 0.028931 is 24.5% of average load 0.117918 LDB: Average compute 0.001730 is 1.5% of average load 0.117918 LDB: TIME 11244.6 LOAD: AVG 0.117918 MAX 0.182688 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.445 MB LDB: TIME 11244.6 LOAD: AVG 0.117918 MAX 0.182688 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: TIME 11244.6 LOAD: AVG 0.117918 MAX 0.182688 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.688 MB LDB: ============== END OF LOAD BALANCING =============== 11244.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11244.6 PRESSURE: 3868400 -92.4325 -20.4378 -54.24 -20.4386 151.151 -111.829 -54.2394 -111.829 -103.581 GPRESSURE: 3868400 -67.4599 -43.9092 38.0258 2.75533 196.239 -115.206 -58.757 -135.16 -89.141 PRESSAVG: 3868400 -6.04901 27.9583 48.1323 27.9584 30.1466 -30.8228 48.1324 -30.8228 -7.03703 GPRESSAVG: 3868400 -4.81342 28.232 49.2594 30.2416 30.2252 -28.6095 47.041 -31.0456 -9.20667 TIMING: 3868400 CPU: 11241.4, 0.00296468/step Wall: 11241.4, 0.00296468/step, 0.931898 hours remaining, 207.738281 MB of memory in use. ENERGY: 3868400 746.3720 2155.9513 1938.8660 113.7243 -206559.2429 17882.7655 0.0000 0.0000 33990.9061 -149730.6577 296.8510 -183721.5638 -149644.7076 297.9897 -14.9543 13.2128 557144.4326 5.6869 5.4017 PRESSURE: 3868600 -4.87421 -17.1638 43.827 -17.1644 -46.9717 -48.3208 43.827 -48.319 -252.84 GPRESSURE: 3868600 30.748 -25.8315 55.7421 -43.0572 -19.0227 -62.4333 -24.2177 -61.5888 -223.292 PRESSAVG: 3868600 21.3176 -9.17936 15.6197 -9.17946 5.76983 -8.0668 15.6196 -8.06669 0.00219075 GPRESSAVG: 3868600 20.7419 -7.98662 14.1346 -9.30409 5.23754 -8.07898 18.3405 -10.0082 0.9239 TIMING: 3868600 CPU: 11242, 0.0029242/step Wall: 11242, 0.0029242/step, 0.919011 hours remaining, 207.738281 MB of memory in use. ENERGY: 3868600 769.9538 2123.2722 1957.9293 113.5209 -206602.2078 17809.0947 0.0000 0.0000 34145.2208 -149683.2161 298.1987 -183828.4369 -149581.4177 298.5142 -101.5620 -70.5224 556909.6684 9.0299 8.9678 PRESSURE: 3868800 -20.463 91.2865 77.4742 91.286 -416.973 97.1397 77.4746 97.1398 62.5621 GPRESSURE: 3868800 20.7552 -25.4202 63.2294 82.4989 -430.421 60.0975 86.9141 128.746 130.78 PRESSAVG: 3868800 -9.54293 20.8988 23.9076 20.8988 -15.7177 -71.8901 23.9076 -71.8902 37.4776 GPRESSAVG: 3868800 -9.94051 20.051 23.7481 21.5967 -15.6779 -73.6801 22.0151 -70.2757 37.8769 TIMING: 3868800 CPU: 11242.6, 0.00293861/step Wall: 11242.6, 0.00293861/step, 0.923378 hours remaining, 207.738281 MB of memory in use. ENERGY: 3868800 735.7954 2121.4523 1941.2919 105.8909 -206028.4753 17586.3185 0.0000 0.0000 34042.3308 -149495.3953 297.3001 -183537.7261 -149401.3491 297.7520 -124.9580 -92.9621 556817.0149 4.0723 4.0861 PRESSURE: 3869000 -197.891 -94.3149 -68.0582 -94.3167 57.2948 219.67 -68.0578 219.67 -170.183 GPRESSURE: 3869000 -197.21 -21.0766 -88.3854 -94.65 90.0327 270.213 -25.6438 147.127 -107.02 PRESSAVG: 3869000 25.7832 -20.4744 15.3227 -20.4744 -55.4818 26.2287 15.3227 26.2287 43.7774 GPRESSAVG: 3869000 25.3423 -20.9983 15.9935 -20.6699 -55.2745 27.8048 15.785 25.5411 43.9286 TIMING: 3869000 CPU: 11243.1, 0.00291136/step Wall: 11243.1, 0.00291136/step, 0.914652 hours remaining, 207.738281 MB of memory in use. ENERGY: 3869000 729.6464 2148.6372 1956.2806 106.3730 -206467.8289 17755.5671 0.0000 0.0000 34221.2314 -149550.0932 298.8625 -183771.3245 -149460.1467 298.6860 -103.5929 -71.3991 555794.8555 4.6929 4.6655 PRESSURE: 3869200 115.223 -71.3541 33.1387 -71.3544 124.69 -42.0843 33.1383 -42.0813 323.364 GPRESSURE: 3869200 180.283 -120.221 31.5221 29.143 161.621 -124.364 104.719 -50.3154 306.133 PRESSAVG: 3869200 18.3119 -27.6538 -48.6958 -27.6538 -23.2082 3.80538 -48.6958 3.80544 12.3371 GPRESSAVG: 3869200 18.8229 -26.7944 -50.7412 -28.5151 -22.9205 1.85011 -47.9404 6.13834 11.3736 TIMING: 3869200 CPU: 11243.7, 0.00289843/step Wall: 11243.7, 0.00289843/step, 0.91043 hours remaining, 207.738281 MB of memory in use. ENERGY: 3869200 727.9540 2106.1170 1944.6572 98.0758 -206698.7624 18107.1520 0.0000 0.0000 34312.6661 -149402.1404 299.6610 -183714.8064 -149299.8274 298.4453 187.7588 216.0125 556068.8893 2.4803 2.4253 PRESSURE: 3869400 55.2732 -10.4807 55.8494 -10.4803 86.044 -37.1398 55.85 -37.1385 -222.834 GPRESSURE: 3869400 141.116 1.04872 83.0535 -38.2525 74.9286 -4.25832 36.1246 -46.3921 -206.801 PRESSAVG: 3869400 60.4774 -11.0169 9.38658 -11.0169 -4.47777 3.471 9.38658 3.47105 -41.736 GPRESSAVG: 3869400 60.5195 -11.1717 12.1183 -11.4363 -4.61043 4.70123 9.33215 1.84213 -41.9697 TIMING: 3869400 CPU: 11244.3, 0.00290057/step Wall: 11244.3, 0.00290057/step, 0.910941 hours remaining, 207.738281 MB of memory in use. ENERGY: 3869400 747.6683 2068.1046 1949.5635 107.6925 -206145.0113 17696.3201 0.0000 0.0000 34198.2793 -149377.3831 298.6621 -183575.6623 -149273.3297 298.4316 -27.1723 3.0811 556471.0280 4.7546 4.6465 PRESSURE: 3869600 -100.106 111.636 77.1956 111.637 63.9172 -38.6867 77.1951 -38.6866 26.6034 GPRESSURE: 3869600 -66.3921 112.184 78.4023 96.1397 125.033 31.0434 29.1178 -27.4357 23.8695 PRESSAVG: 3869600 -14.3028 -16.353 27.0786 -16.3531 5.15071 55.1082 27.0786 55.1083 13.3873 GPRESSAVG: 3869600 -14.8645 -15.4922 26.5062 -15.9126 5.42243 54.9775 26.3292 55.4603 12.6819 TIMING: 3869600 CPU: 11244.9, 0.00291943/step Wall: 11244.9, 0.00291943/step, 0.916703 hours remaining, 207.738281 MB of memory in use. ENERGY: 3869600 772.8553 2080.6891 1988.4080 112.8263 -206641.5630 18085.5952 0.0000 0.0000 34166.9922 -149434.1968 298.3888 -183601.1890 -149339.1047 298.3429 -3.1950 27.5034 555686.5756 1.4117 1.0799 PRESSURE: 3869800 -95.035 -9.36043 92.4694 -9.36258 172.68 7.80266 92.4711 7.8031 77.7634 GPRESSURE: 3869800 -109.187 20.3205 61.8711 46.4482 211.833 -61.8627 134.709 59.3948 148.882 PRESSAVG: 3869800 -67.8975 44.9315 8.32463 44.9315 50.8836 -2.69528 8.32461 -2.69526 69.1612 GPRESSAVG: 3869800 -67.6801 44.4191 7.8559 45.022 50.202 -1.37231 9.60011 -4.67583 70.2677 TIMING: 3869800 CPU: 11245.5, 0.00291074/step Wall: 11245.5, 0.00291074/step, 0.913811 hours remaining, 207.738281 MB of memory in use. ENERGY: 3869800 709.8350 2054.9323 2002.8189 104.1905 -205866.2460 17746.6905 0.0000 0.0000 33903.0603 -149344.7186 296.0839 -183247.7789 -149253.4450 298.9248 51.8029 83.8425 559017.1978 17.3824 17.5966 PRESSURE: 3870000 -75.8515 72.7082 -111.538 72.7087 317.483 -81.1657 -111.537 -81.1664 -100.13 GPRESSURE: 3870000 -47.7849 23.0274 -162.114 88.9064 301.219 -20.6581 -108.736 -164.733 -17.8297 PRESSAVG: 3870000 -20.9616 -1.725 -11.5279 -1.72506 7.22191 3.30813 -11.5279 3.30812 -21.3326 GPRESSAVG: 3870000 -21.814 -0.377928 -11.2682 -4.81816 8.25788 2.30851 -12.2838 3.52725 -21.4592 TIMING: 3870000 CPU: 11246.1, 0.00293884/step Wall: 11246.1, 0.00293884/step, 0.922471 hours remaining, 207.738281 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: 3870000 716.1207 2126.0291 1984.5176 112.5772 -206143.4280 17723.9674 0.0000 0.0000 34150.9292 -149329.2868 298.2486 -183480.2161 -149231.9210 298.0962 47.1673 78.5348 557279.2856 -11.6908 -11.6718 PRESSURE: 3870200 -76.2819 -17.461 99.337 -17.4609 113.358 -44.1732 99.3369 -44.1744 325.113 GPRESSURE: 3870200 -71.2629 -68.7113 131.578 13.9269 209.54 -39.6597 116.555 -39.741 309.036 PRESSAVG: 3870200 -4.96136 15.3538 44.622 15.3538 41.9228 -40.232 44.622 -40.232 -13.4325 GPRESSAVG: 3870200 -4.71761 13.0208 44.1344 17.0729 42.4855 -41.1314 43.9946 -37.9157 -14.1902 TIMING: 3870200 CPU: 11246.6, 0.00292393/step Wall: 11246.6, 0.00292393/step, 0.917627 hours remaining, 207.738281 MB of memory in use. ENERGY: 3870200 744.1997 2091.9389 1960.3979 108.0760 -206245.6263 17926.4602 0.0000 0.0000 34233.2660 -149181.2876 298.9676 -183414.5536 -149082.6473 298.5292 120.7299 149.1041 557896.0135 7.8430 7.8592 PRESSURE: 3870400 68.931 -16.7693 60.2872 -16.7693 255.168 90.6488 60.2865 90.6502 -150.499 GPRESSURE: 3870400 118.377 -105.54 113.548 54.833 259.848 114.367 10.3202 57.5122 -106.37 PRESSAVG: 3870400 -69.9694 -29.9923 6.10152 -29.9923 88.8126 -6.67038 6.1015 -6.6703 21.4546 GPRESSAVG: 3870400 -70.0578 -29.2465 8.192 -29.5449 89.2333 -5.88252 3.39585 -8.26683 21.8501 TIMING: 3870400 CPU: 11247.2, 0.00292601/step Wall: 11247.2, 0.00292601/step, 0.918117 hours remaining, 207.738281 MB of memory in use. ENERGY: 3870400 722.5209 2093.7668 1967.3966 125.0350 -205651.6041 17555.7574 0.0000 0.0000 34233.7258 -148953.4015 298.9716 -183187.1273 -148855.6152 299.0810 57.8666 90.6180 557149.8296 13.4326 13.6752 PRESSURE: 3870600 -47.133 -113.92 -19.7921 -113.919 -152.406 142.942 -19.7914 142.941 191.766 GPRESSURE: 3870600 9.43294 -128.379 -47.443 -94.1544 -169.462 143.2 1.76951 168.025 244.238 PRESSAVG: 3870600 -31.0757 -5.23609 2.08538 -5.23616 38.8829 12.8346 2.08534 12.8346 35.1251 GPRESSAVG: 3870600 -30.6121 -6.16837 -0.216166 -4.54095 37.8278 14.0044 5.04095 12.322 35.6954 TIMING: 3870600 CPU: 11247.8, 0.00291831/step Wall: 11247.8, 0.00291831/step, 0.915538 hours remaining, 207.738281 MB of memory in use. ENERGY: 3870600 719.3379 2064.7862 1962.6039 116.1093 -205728.4307 17752.6489 0.0000 0.0000 34160.4075 -148952.5370 298.3313 -183112.9445 -148857.4498 299.4953 -2.5908 28.0697 558392.2497 14.3107 14.3037 PRESSURE: 3870800 -94.582 111.545 -136.482 111.547 19.9495 45.5327 -136.481 45.5318 -135.878 GPRESSURE: 3870800 -89.0037 93.615 -129.718 184.811 97.5061 59.7283 -135.568 41.9114 -126.043 PRESSAVG: 3870800 -46.4557 50.2692 -0.412358 50.2694 -33.5969 50.5781 -0.412366 50.5782 62.2608 GPRESSAVG: 3870800 -45.4065 51.296 -0.954462 49.6107 -34.961 52.2279 -0.54304 51.9209 62.5031 TIMING: 3870800 CPU: 11248.4, 0.00290809/step Wall: 11248.4, 0.00290809/step, 0.91217 hours remaining, 207.738281 MB of memory in use. ENERGY: 3870800 726.1181 2138.4587 1947.9931 106.1653 -206239.3220 17674.9667 0.0000 0.0000 34493.4352 -149152.1849 301.2397 -183645.6202 -149057.4170 300.0313 -70.1702 -39.1803 558107.5390 -5.9306 -5.9548 PRESSURE: 3871000 -90.3023 0.29514 -195.876 0.295309 -211.492 -203.891 -195.877 -203.891 -115.933 GPRESSURE: 3871000 -32.0314 7.14361 -154.991 -53.2427 -220.654 -211.888 -226.804 -172.758 -77.5453 PRESSAVG: 3871000 -97.8298 33.166 -23.4339 33.1659 15.4424 2.88425 -23.4339 2.88422 90.0395 GPRESSAVG: 3871000 -99.2708 32.6496 -22.3154 32.0639 18.5962 0.0729358 -24.1683 2.02162 88.8383 TIMING: 3871000 CPU: 11249, 0.00292381/step Wall: 11249, 0.00292381/step, 0.91694 hours remaining, 207.808594 MB of memory in use. ENERGY: 3871000 737.8196 2094.2089 1974.4789 100.8204 -205668.3121 17542.0459 0.0000 0.0000 34242.7319 -148976.2065 299.0503 -183218.9384 -148884.9500 299.0963 -139.2426 -110.0768 558111.8404 2.5507 2.7212 PRESSURE: 3871200 24.1968 118.81 -3.88668 118.81 -140.636 -96.6281 -3.88706 -96.6278 168.108 GPRESSURE: 3871200 53.2709 132.586 -37.8313 -1.70185 -93.5664 -111.959 12.3065 -57.238 176.614 PRESSAVG: 3871200 -43.7092 49.4733 0.595105 49.4735 7.62694 -54.0384 0.595109 -54.0383 82.597 GPRESSAVG: 3871200 -43.579 48.6735 1.87353 50.6937 6.45353 -52.6509 1.94329 -53.4904 83.4421 TIMING: 3871200 CPU: 11249.6, 0.00292285/step Wall: 11249.6, 0.00292285/step, 0.916474 hours remaining, 207.808594 MB of memory in use. ENERGY: 3871200 737.8109 2064.5646 1975.3252 105.1904 -206065.5786 17719.3325 0.0000 0.0000 34387.3237 -149076.0314 300.3131 -183463.3551 -148977.0159 300.1205 17.2231 45.4394 558101.6485 15.5049 15.4389 PRESSURE: 3871400 187.724 13.5192 48.7379 13.5202 318.598 -53.1719 48.7388 -53.1716 108.862 GPRESSURE: 3871400 207.421 21.1851 97.6849 -9.20684 378.426 -42.8077 107.018 -5.13112 118.53 PRESSAVG: 3871400 -58.5122 -14.2096 16.2987 -14.2095 -20.577 -46.1511 16.2987 -46.1512 84.5268 GPRESSAVG: 3871400 -57.7252 -14.3852 13.6735 -13.2574 -21.4618 -44.413 17.1362 -48.2399 84.3867 TIMING: 3871400 CPU: 11250.1, 0.00290313/step Wall: 11250.1, 0.00290313/step, 0.910131 hours remaining, 207.808594 MB of memory in use. ENERGY: 3871400 779.7840 2054.2253 1973.3260 115.6138 -206379.4371 18046.6995 0.0000 0.0000 34275.0351 -149134.7536 299.3324 -183409.7887 -149029.7238 300.1861 205.0614 234.7922 556531.0587 1.8125 1.7332 PRESSURE: 3871600 0.931521 42.1784 68.0856 42.1785 -154.729 32.5671 68.0854 32.5677 -150.996 GPRESSURE: 3871600 32.204 18.9093 125.971 12.6732 -84.5071 106.164 7.23289 33.9846 -145.192 PRESSAVG: 3871600 -61.3336 -9.96949 -17.6151 -9.96958 -31.3748 -25.8071 -17.6151 -25.807 68.012 GPRESSAVG: 3871600 -61.1577 -8.35641 -15.6522 -11.2232 -30.9627 -27.6126 -19.8824 -22.6879 67.8969 TIMING: 3871600 CPU: 11250.7, 0.00293109/step Wall: 11250.7, 0.00293109/step, 0.918734 hours remaining, 207.808594 MB of memory in use. ENERGY: 3871600 763.0494 2104.5821 1989.5480 119.1471 -205998.7111 17539.4654 0.0000 0.0000 34412.4920 -149070.4273 300.5329 -183482.9193 -148978.2643 300.2107 -101.5978 -65.8316 557334.2769 -8.2322 -8.0745 PRESSURE: 3871800 130.106 -63.554 165.104 -63.5536 -83.0108 74.0716 165.104 74.0725 187.384 GPRESSURE: 3871800 176.003 -101.665 273.915 -81.0386 -13.2062 101.244 88.3736 124.734 170.626 PRESSAVG: 3871800 42.3464 27.4982 29.5699 27.4982 -67.6388 5.77868 29.5699 5.77866 16.3846 GPRESSAVG: 3871800 42.2888 26.1627 30.8871 27.1279 -67.3006 6.30031 29.1675 4.45434 15.8987 TIMING: 3871800 CPU: 11251.3, 0.00291623/step Wall: 11251.3, 0.00291623/step, 0.913914 hours remaining, 207.808594 MB of memory in use. ENERGY: 3871800 719.7356 2082.2146 1979.7061 116.4477 -205694.6612 17615.5582 0.0000 0.0000 34282.2656 -148898.7335 299.3956 -183180.9991 -148801.4143 299.7803 78.1598 111.1409 555939.6692 -2.9693 -3.0377 PRESSURE: 3872000 3.44491 60.8713 -82.8027 60.8714 -215.554 -20.7368 -82.8041 -20.7381 -194.077 GPRESSURE: 3872000 79.9718 109.612 -129.377 13.963 -274.052 -54.6412 -39.4847 25.1369 -123.779 PRESSAVG: 3872000 -5.40935 31.8883 -48.0234 31.8883 19.1233 34.191 -48.0234 34.1911 21.7641 GPRESSAVG: 3872000 -6.74019 31.161 -52.1344 31.9101 19.7297 35.0937 -45.5145 30.9318 22.4074 TIMING: 3872000 CPU: 11251.9, 0.0029166/step Wall: 11251.9, 0.0029166/step, 0.913868 hours remaining, 207.808594 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: 3872000 777.3319 2101.2818 1966.5007 104.3203 -206020.8161 17655.1691 0.0000 0.0000 34706.9462 -148709.2661 303.1044 -183416.2123 -148613.2485 300.7377 -135.3953 -105.9528 556685.9165 11.8260 11.7990 PRESSURE: 3872200 190.202 32.1991 -166.633 32.1986 -67.7593 33.4189 -166.633 33.4187 -83.7178 GPRESSURE: 3872200 213.352 110.706 -171.783 -38.9984 9.25053 20.477 -176.008 46.4616 -87.8322 PRESSAVG: 3872200 -7.87918 15.7071 -82.8811 15.7071 62.9203 34.4027 -82.8812 34.4028 -80.9268 GPRESSAVG: 3872200 -7.13947 18.5296 -81.5705 15.0398 62.3549 34.3892 -84.7445 35.7517 -81.382 TIMING: 3872200 CPU: 11252.5, 0.00292666/step Wall: 11252.5, 0.00292666/step, 0.916858 hours remaining, 207.808594 MB of memory in use. ENERGY: 3872200 750.0644 2131.6746 1960.5631 111.1537 -206043.6491 17854.0950 0.0000 0.0000 34501.9477 -148734.1506 301.3141 -183236.0983 -148638.7990 300.1578 12.9083 44.9235 558900.7968 -8.6286 -8.7222 LDB: ============= START OF LOAD BALANCING ============== 11255.9 LDB: ============== END OF LOAD BALANCING =============== 11255.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11255.9 LDB: ============= START OF LOAD BALANCING ============== 11256.2 LDB: Largest compute 4820 load 0.030520 is 25.9% of average load 0.117773 LDB: Average compute 0.001729 is 1.5% of average load 0.117773 LDB: TIME 11256.2 LOAD: AVG 0.117773 MAX 0.182419 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.289 MB LDB: TIME 11256.2 LOAD: AVG 0.117773 MAX 0.182419 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: TIME 11256.2 LOAD: AVG 0.117773 MAX 0.182419 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11256.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11256.2 PRESSURE: 3872400 -12.8426 41.4696 -213.112 41.4672 105.778 119.009 -213.111 119.009 -78.4844 GPRESSURE: 3872400 -49.1989 16.2354 -197.624 22.5828 127.907 107.311 -218.979 90.6666 38.1438 PRESSAVG: 3872400 -22.5957 -25.493 -67.6067 -25.493 -32.8952 30.4248 -67.6067 30.4249 10.9025 GPRESSAVG: 3872400 -22.6689 -26.3686 -66.4792 -24.8399 -32.9821 29.2756 -67.6115 31.9136 11.6154 TIMING: 3872400 CPU: 11253.1, 0.00297987/step Wall: 11253.1, 0.00297987/step, 0.93336 hours remaining, 209.156250 MB of memory in use. ENERGY: 3872400 764.5241 2084.4346 1985.8696 112.4547 -206056.6506 17880.9063 0.0000 0.0000 34317.0845 -148911.3767 299.6996 -183228.4612 -148804.7118 299.6545 4.8169 38.9506 558677.9554 -14.8628 -14.6785 PRESSURE: 3872600 -16.09 -49.9748 87.4674 -49.975 44.0037 47.1888 87.468 47.1899 -59.1241 GPRESSURE: 3872600 20.2879 -82.7859 -1.77946 -80.8813 69.28 93.4083 209.197 12.3524 -28.1319 PRESSAVG: 3872600 13.6335 13.4188 -20.9689 13.4188 35.7711 21.0574 -20.9689 21.0574 -31.2558 GPRESSAVG: 3872600 14.3586 10.8197 -19.8662 15.0675 35.461 21.2741 -22.7439 19.0177 -31.0976 TIMING: 3872600 CPU: 11253.7, 0.00294913/step Wall: 11253.7, 0.00294913/step, 0.923569 hours remaining, 209.371094 MB of memory in use. ENERGY: 3872600 761.0540 2079.9973 2001.9294 123.7850 -206030.3058 17828.1273 0.0000 0.0000 34445.3925 -148790.0203 300.8202 -183235.4128 -148691.4025 300.0656 -10.4035 20.4787 559590.1776 6.0496 6.2407 PRESSURE: 3872800 -12.8444 11.1403 147.446 11.1409 -167.684 -43.6851 147.445 -43.6864 248.658 GPRESSURE: 3872800 37.6474 14.2014 195.221 11.6015 -110.876 12.0219 136.031 -131.475 245.742 PRESSAVG: 3872800 -48.3105 24.5167 -21.3206 24.5169 60.3931 -9.28505 -21.3207 -9.28504 36.2314 GPRESSAVG: 3872800 -48.9432 24.9399 -23.6119 21.3897 61.6452 -8.6918 -19.0092 -7.06868 35.26 TIMING: 3872800 CPU: 11254.3, 0.00294914/step Wall: 11254.3, 0.00294914/step, 0.923409 hours remaining, 209.441406 MB of memory in use. ENERGY: 3872800 723.2799 2099.1992 1971.3934 97.3979 -205751.1931 17704.9239 0.0000 0.0000 34244.1608 -148910.8381 299.0628 -183154.9989 -148819.9611 300.2604 22.7097 57.5046 559247.2194 16.1047 15.9873 PRESSURE: 3873000 -7.45255 -26.9359 -87.4685 -26.9361 33.1765 142.389 -87.468 142.39 56.8387 GPRESSURE: 3873000 72.618 -18.6628 -72.3972 -6.40091 57.8091 196.121 -48.9062 163.813 37.3065 PRESSAVG: 3873000 2.84344 39.5872 -20.3081 39.5873 4.61555 11.7683 -20.3082 11.7683 -11.5018 GPRESSAVG: 3873000 3.28179 40.4809 -20.2433 42.5828 4.51863 11.0703 -20.7665 12.2308 -11.5326 TIMING: 3873000 CPU: 11254.8, 0.00293602/step Wall: 11254.8, 0.00293602/step, 0.919136 hours remaining, 209.441406 MB of memory in use. ENERGY: 3873000 794.5594 2114.6692 1975.6141 110.9175 -206528.4276 18161.8844 0.0000 0.0000 34505.7443 -148865.0387 301.3472 -183370.7829 -148771.6085 299.7440 27.5209 55.9112 558974.2174 -1.3476 -1.2441 PRESSURE: 3873200 -327.209 52.8283 -8.97501 52.8272 -25.0006 23.9798 -8.97516 23.9804 -188.651 GPRESSURE: 3873200 -281.564 31.5261 -48.4441 3.47078 12.1429 60.3256 47.5985 22.2802 -173.271 PRESSAVG: 3873200 38.0811 8.06543 16.4771 8.0654 30.7306 5.54028 16.4771 5.54035 -64.2685 GPRESSAVG: 3873200 37.3675 7.07073 17.7501 4.98882 30.4053 5.40534 16.3376 3.83628 -62.9961 TIMING: 3873200 CPU: 11255.4, 0.00291404/step Wall: 11255.4, 0.00291404/step, 0.912093 hours remaining, 209.441406 MB of memory in use. ENERGY: 3873200 767.0545 2141.8830 1981.7459 109.1767 -205723.0931 17590.2674 0.0000 0.0000 34275.1904 -148857.7752 299.3338 -183132.9656 -148759.6042 300.6642 -180.2868 -147.5639 557826.1300 1.5144 1.5923 PRESSURE: 3873400 237.452 5.27015 -60.1434 5.27102 134.867 -43.6954 -60.1421 -43.6959 90.5994 GPRESSURE: 3873400 291.511 51.3404 -95.1563 8.2826 162.459 -61.9231 -16.9738 -101.149 95.4182 PRESSAVG: 3873400 80.693 -13.2835 -13.3375 -13.2837 -26.0217 -5.35091 -13.3375 -5.35093 -46.74 GPRESSAVG: 3873400 80.5639 -12.4534 -14.3491 -12.9498 -25.9229 -5.76823 -13.9855 -5.07276 -47.5858 TIMING: 3873400 CPU: 11256, 0.00293283/step Wall: 11256, 0.00293283/step, 0.917813 hours remaining, 209.441406 MB of memory in use. ENERGY: 3873400 735.6872 2110.7984 1974.7961 106.5533 -206148.0645 18049.8677 0.0000 0.0000 34334.8350 -148835.5267 299.8547 -183170.3618 -148733.3707 300.4559 154.3062 183.1293 558844.5821 2.6438 2.3517 PRESSURE: 3873600 -267.13 148.08 17.9801 148.08 -55.894 111.291 17.9791 111.292 -211.955 GPRESSURE: 3873600 -202.699 138.341 -78.0133 144.59 -56.6643 96.1083 27.8671 122.197 -174.174 PRESSAVG: 3873600 -13.3218 20.1178 38.4777 20.1178 -15.8342 13.7125 38.4777 13.7126 15.686 GPRESSAVG: 3873600 -13.1423 21.4183 38.4012 20.003 -16.2412 16.7495 39.503 12.5539 15.962 TIMING: 3873600 CPU: 11256.6, 0.00292244/step Wall: 11256.6, 0.00292244/step, 0.9144 hours remaining, 209.441406 MB of memory in use. ENERGY: 3873600 798.0878 2081.0836 1964.7588 104.2911 -206017.8139 17733.6127 0.0000 0.0000 34391.1175 -148944.8624 300.3462 -183335.9799 -148847.0448 301.0272 -178.3261 -144.5124 558705.9478 -4.4900 -4.4738 PRESSURE: 3873800 108.541 61.0469 -19.8879 61.047 141.526 -112.91 -19.8881 -112.911 -43.2246 GPRESSURE: 3873800 112.091 37.3855 75.4524 18.6423 169.997 -250.018 -5.67768 -69.5996 16.9393 PRESSAVG: 3873800 -0.606704 27.3733 4.3271 27.3733 -51.5305 -3.243 4.32705 -3.24308 18.5073 GPRESSAVG: 3873800 -1.29908 25.926 3.46434 28.5513 -51.9081 -4.70561 5.15141 -2.78648 19.613 TIMING: 3873800 CPU: 11257.2, 0.00292299/step Wall: 11257.2, 0.00292299/step, 0.914408 hours remaining, 209.441406 MB of memory in use. ENERGY: 3873800 781.4947 2150.4948 1973.5910 118.4642 -206463.4421 18116.3104 0.0000 0.0000 34294.3075 -149028.7796 299.5007 -183323.0871 -148928.6934 300.2494 68.9476 99.6758 556429.9659 -11.2099 -11.1981 PRESSURE: 3874000 162.992 29.5275 111.542 29.528 -223.866 -54.7337 111.544 -54.7356 -137.769 GPRESSURE: 3874000 200.176 3.40191 62.8607 -14.5705 -166.929 -166.573 84.8846 21.9197 -125.067 PRESSAVG: 3874000 67.389 27.5972 32.5229 27.5972 21.4528 11.3432 32.523 11.3431 -62.0578 GPRESSAVG: 3874000 68.6646 29.3714 34.3292 27.2612 21.4275 11.957 31.0727 12.16 -63.0739 TIMING: 3874000 CPU: 11257.8, 0.00290325/step Wall: 11257.8, 0.00290325/step, 0.908071 hours remaining, 209.441406 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: 3874000 809.7947 2082.5291 1977.9257 109.3741 -206037.6726 17619.6041 0.0000 0.0000 34477.0219 -148961.4230 301.0964 -183438.4449 -148863.0926 299.8532 -66.2142 -30.6066 556413.4354 8.9280 9.0061 PRESSURE: 3874200 364.628 43.3351 127.987 43.3347 79.9521 -25.5287 127.986 -25.5282 84.5048 GPRESSURE: 3874200 452.279 -10.3565 63.59 83.8998 98.3051 25.9188 131.246 -45.5596 89.0303 PRESSAVG: 3874200 47.4764 14.9234 22.0015 14.9234 -15.4575 -0.241231 22.0015 -0.241219 -28.6064 GPRESSAVG: 3874200 48.0388 15.1984 23.006 13.791 -15.8596 -1.7061 21.42 -0.0627607 -28.8559 TIMING: 3874200 CPU: 11258.3, 0.00288472/step Wall: 11258.3, 0.00288472/step, 0.902117 hours remaining, 209.441406 MB of memory in use. ENERGY: 3874200 741.4873 2102.6725 1958.1601 104.0413 -206113.6950 17995.5301 0.0000 0.0000 34216.7631 -148995.0407 298.8235 -183211.8038 -148899.3225 299.5814 176.3616 213.2047 557783.7387 1.1375 1.1077 PRESSURE: 3874400 141.201 -89.0071 -102.609 -89.0074 91.9429 54.5477 -102.61 54.5475 211.663 GPRESSURE: 3874400 138.68 -61.2081 -78.5288 -60.8256 136.981 105.326 -112.539 -81.3638 248.72 PRESSAVG: 3874400 54.762 24.098 -18.2609 24.0981 -82.039 -24.0885 -18.261 -24.0885 18.7926 GPRESSAVG: 3874400 54.1431 23.4838 -19.3207 25.8908 -81.7238 -23.9079 -16.5054 -23.8559 19.5915 TIMING: 3874400 CPU: 11258.9, 0.00289262/step Wall: 11258.9, 0.00289262/step, 0.904425 hours remaining, 209.441406 MB of memory in use. ENERGY: 3874400 754.3363 2174.6568 1958.6091 112.9946 -206283.4685 17923.6599 0.0000 0.0000 34536.6140 -148822.5979 301.6168 -183359.2119 -148720.4812 299.5618 148.2693 174.7938 558374.1627 -2.8281 -2.6631 PRESSURE: 3874600 187.416 -113.252 -5.17418 -113.253 156.773 -13.8062 -5.17359 -13.804 -95.1324 GPRESSURE: 3874600 153.1 -147.332 -28.3922 -173.158 213.12 21.8006 25.4949 -34.7085 -18.971 PRESSAVG: 3874600 22.7135 -7.27189 -50.3686 -7.27189 47.3406 -9.59219 -50.3685 -9.59228 -38.4722 GPRESSAVG: 3874600 22.4049 -7.63836 -48.4026 -7.43667 49.0887 -8.11942 -51.4801 -10.5041 -39.4467 TIMING: 3874600 CPU: 11259.5, 0.00293078/step Wall: 11259.5, 0.00293078/step, 0.916193 hours remaining, 209.441406 MB of memory in use. ENERGY: 3874600 717.3687 2129.3895 1972.1136 99.7108 -206187.9622 17967.6844 0.0000 0.0000 34218.9062 -149082.7890 298.8422 -183301.6952 -148983.2126 300.0644 83.0188 115.7494 559022.1409 10.5273 10.6823 PRESSURE: 3874800 -212.574 55.0018 -191.348 55.0011 15.0022 128.415 -191.348 128.416 -60.9823 GPRESSURE: 3874800 -192.25 73.7557 -288.686 -23.1666 65.0584 89.731 -163.037 166.547 -27.4273 PRESSAVG: 3874800 -22.3755 -12.746 -39.8361 -12.746 33.6932 30.9567 -39.8362 30.9567 14.8705 GPRESSAVG: 3874800 -21.7454 -12.6984 -40.753 -14.6295 32.417 27.9834 -41.1098 33.6724 15.5272 TIMING: 3874800 CPU: 11260.1, 0.00292638/step Wall: 11260.1, 0.00292638/step, 0.914656 hours remaining, 209.441406 MB of memory in use. ENERGY: 3874800 772.3977 2078.2472 1981.9812 116.2752 -205867.7312 17707.1469 0.0000 0.0000 34420.6784 -148791.0046 300.6043 -183211.6830 -148693.2954 300.1492 -86.1847 -51.5395 558612.3352 8.7294 8.7329 PRESSURE: 3875000 262.204 44.598 -22.7431 44.5981 88.1805 -67.7693 -22.7436 -67.7696 111.376 GPRESSURE: 3875000 262.475 6.57735 -80.4142 53.8503 158.466 -12.0356 -26.3086 -68.7593 151.186 PRESSAVG: 3875000 33.0261 11.5604 -66.5152 11.5604 21.2252 15.2572 -66.5152 15.2572 -17.8397 GPRESSAVG: 3875000 33.2297 8.9608 -66.223 14.6891 21.3965 16.6575 -64.9475 14.3875 -17.7642 TIMING: 3875000 CPU: 11260.7, 0.00293574/step Wall: 11260.7, 0.00293574/step, 0.91742 hours remaining, 209.441406 MB of memory in use. ENERGY: 3875000 778.6395 2109.2889 1971.7196 110.1617 -206069.6293 18043.0993 0.0000 0.0000 34257.9867 -148798.7336 299.1835 -183056.7203 -148706.7866 300.8010 153.9201 190.7087 558309.7459 12.1372 12.2873 PRESSURE: 3875200 77.7065 -71.1802 58.6018 -71.1798 97.594 3.19051 58.6028 3.19027 -122.466 GPRESSURE: 3875200 136.837 -111.193 147.944 -16.8585 62.5218 -18.0729 37.5059 -24.1061 -54.5624 PRESSAVG: 3875200 -39.8656 15.1893 22.0718 15.1893 15.7821 20.7452 22.0717 20.7453 -18.6927 GPRESSAVG: 3875200 -40.0847 17.0468 21.8375 14.0285 15.7075 20.9726 22.812 21.2065 -18.4947 TIMING: 3875200 CPU: 11261.3, 0.00293007/step Wall: 11261.3, 0.00293007/step, 0.915485 hours remaining, 209.441406 MB of memory in use. ENERGY: 3875200 724.9097 2119.0817 1958.6623 111.6572 -206139.5139 17918.7235 0.0000 0.0000 34617.6712 -148688.8083 302.3247 -183306.4794 -148595.1385 300.6890 17.6114 48.2655 557544.9418 -14.2587 -14.2907 PRESSURE: 3875400 30.7022 55.6153 -77.2045 55.6153 -95.3948 137.159 -77.2032 137.16 -108.525 GPRESSURE: 3875400 66.5321 67.5112 -111.715 31.2876 -74.9182 107.573 -39.3544 179.001 -61.124 PRESSAVG: 3875400 13.8047 17.9921 23.9543 17.9921 66.5721 -21.5703 23.9543 -21.5703 -53.8831 GPRESSAVG: 3875400 12.7181 17.468 24.29 17.2759 66.7697 -20.9269 22.8043 -23.6434 -52.5353 TIMING: 3875400 CPU: 11261.8, 0.00288889/step Wall: 11261.8, 0.00288889/step, 0.902456 hours remaining, 209.441406 MB of memory in use. ENERGY: 3875400 769.2046 2052.6761 1981.7694 109.2335 -205583.4447 17671.9044 0.0000 0.0000 34339.1474 -148659.5093 299.8923 -182998.6567 -148564.2435 300.4905 -57.7393 -23.1700 559123.3622 8.8313 8.9842 PRESSURE: 3875600 -167.457 -213.286 51.9952 -213.286 40.3709 4.4831 51.9943 4.48458 28.1454 GPRESSURE: 3875600 -101.335 -108.526 106.237 -251.727 45.2546 -5.67013 18.5164 84.2598 46.1061 PRESSAVG: 3875600 16.7031 -19.9015 6.96798 -19.9015 69.2702 -2.19112 6.96801 -2.1911 -60.8525 GPRESSAVG: 3875600 16.1212 -19.8552 7.10629 -18.8392 69.2828 -3.35329 6.65109 -2.4476 -60.6517 TIMING: 3875600 CPU: 11262.4, 0.00290566/step Wall: 11262.4, 0.00290566/step, 0.907535 hours remaining, 209.441406 MB of memory in use. ENERGY: 3875600 736.6752 2109.5129 1968.8398 109.0626 -205576.1590 17688.4152 0.0000 0.0000 34282.1308 -148681.5224 299.3944 -182963.6533 -148589.4396 300.1524 -32.9804 -3.3246 559391.3967 8.3736 8.2508 PRESSURE: 3875800 -3.50639 136.556 145.3 136.556 -21.3182 90.3309 145.3 90.332 -145.766 GPRESSURE: 3875800 93.5217 198.247 159.659 63.4391 -29.0006 47.0981 49.836 78.0433 -142.791 PRESSAVG: 3875800 -31.1669 -20.4024 3.8929 -20.4024 96.3989 -23.1818 3.89296 -23.1819 -22.4098 GPRESSAVG: 3875800 -30.4254 -22.2361 3.84415 -18.0619 96.334 -22.5477 2.89753 -23.3809 -22.6905 TIMING: 3875800 CPU: 11263, 0.00290702/step Wall: 11263, 0.00290702/step, 0.907799 hours remaining, 209.441406 MB of memory in use. ENERGY: 3875800 769.7064 2149.2977 1975.0574 95.3023 -205790.1644 17716.6321 0.0000 0.0000 34207.5353 -148876.6333 298.7429 -183084.1686 -148785.3262 299.3527 -56.8635 -26.0898 558881.5377 14.2741 14.4061 PRESSURE: 3876000 230.99 -26.7494 -117.774 -26.7483 18.5295 -33.0679 -117.772 -33.0672 95.6999 GPRESSURE: 3876000 222.494 -26.0875 -128.294 1.85248 5.75393 -90.3704 -144.167 10.2847 211.965 PRESSAVG: 3876000 -2.26878 -9.32527 -7.65651 -9.32527 31.8321 -21.6778 -7.65642 -21.6778 -61.2473 GPRESSAVG: 3876000 -1.80315 -7.76658 -8.34256 -12.494 31.1898 -21.3679 -7.62578 -19.2618 -60.5505 TIMING: 3876000 CPU: 11263.6, 0.00290228/step Wall: 11263.6, 0.00290228/step, 0.906157 hours remaining, 209.441406 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: 3876000 727.0512 2087.8942 1978.0257 114.9120 -206479.3653 18135.6821 0.0000 0.0000 34602.4577 -148833.3423 302.1919 -183435.8000 -148737.5960 300.1222 115.0731 146.7377 557400.6505 -10.5613 -10.3879 PRESSURE: 3876200 -14.7104 50.1228 -169.394 50.1231 -17.7649 200.993 -169.395 200.992 130.816 GPRESSURE: 3876200 -0.443956 11.0793 -187.055 49.8275 33.0074 201.19 -136.349 228.145 161.731 PRESSAVG: 3876200 1.06573 1.11716 -22.7799 1.11719 22.0357 37.1908 -22.7799 37.1907 -27.3047 GPRESSAVG: 3876200 0.448548 1.65638 -21.4807 0.846193 23.7 37.5044 -23.9008 35.2559 -28.4758 TIMING: 3876200 CPU: 11264.2, 0.00291427/step Wall: 11264.2, 0.00291427/step, 0.909738 hours remaining, 209.441406 MB of memory in use. ENERGY: 3876200 688.0273 2122.1592 1967.7911 106.4633 -205982.7250 17796.9558 0.0000 0.0000 34413.0461 -148888.2822 300.5377 -183301.3283 -148795.6779 299.9840 32.7803 64.7650 557693.4554 -1.4011 -1.4424 LDB: ============= START OF LOAD BALANCING ============== 11267.6 LDB: ============== END OF LOAD BALANCING =============== 11267.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11267.6 LDB: ============= START OF LOAD BALANCING ============== 11267.9 LDB: Largest compute 4848 load 0.028422 is 24.1% of average load 0.117739 LDB: Average compute 0.001727 is 1.5% of average load 0.117739 LDB: TIME 11267.9 LOAD: AVG 0.117739 MAX 0.183408 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 11267.9 LOAD: AVG 0.117739 MAX 0.183408 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 11267.9 LOAD: AVG 0.117739 MAX 0.183408 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11267.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11267.9 PRESSURE: 3876400 49.8285 21.4756 26.7841 21.4744 -60.323 -118.006 26.784 -118.006 -103.78 GPRESSURE: 3876400 106.646 73.0096 1.84455 15.2832 -43.1886 -120.599 72.4707 -124.766 -73.313 PRESSAVG: 3876400 19.897 16.9089 -59.8452 16.9089 17.6586 -0.348056 -59.8452 -0.348122 -56.7314 GPRESSAVG: 3876400 19.978 16.6729 -60.6087 18.1673 17.063 -0.394584 -56.9371 -0.725133 -55.6678 TIMING: 3876400 CPU: 11264.8, 0.00296562/step Wall: 11264.8, 0.00296562/step, 0.925602 hours remaining, 209.984375 MB of memory in use. ENERGY: 3876400 746.5855 2111.8653 1948.3408 121.5789 -205691.2128 17769.4103 0.0000 0.0000 34061.6944 -148931.7376 297.4692 -182993.4320 -148834.5524 300.3440 -38.0916 -3.2851 558682.9574 -6.3919 -6.2089 PRESSURE: 3876600 251.464 -37.9239 26.5558 -37.9239 -180.653 -125.914 26.5567 -125.914 39.6683 GPRESSURE: 3876600 283.493 -60.4983 -14.1548 -32.8371 -118.343 -61.2942 113.438 -145.047 39.2018 PRESSAVG: 3876600 52.2464 -41.5073 -15.8049 -41.5073 -52.1577 50.3796 -15.8048 50.3796 -31.0764 GPRESSAVG: 3876600 53.4741 -41.4371 -16.3295 -41.35 -53.0909 48.3179 -14.7813 51.1978 -31.4762 TIMING: 3876600 CPU: 11265.3, 0.00291082/step Wall: 11265.3, 0.00291082/step, 0.908336 hours remaining, 210.054688 MB of memory in use. ENERGY: 3876600 732.7825 2108.3389 1963.9793 119.6346 -205766.3205 17722.2657 0.0000 0.0000 34212.7279 -148906.5915 298.7883 -183119.3194 -148802.3616 300.1320 36.8265 68.1174 557047.4072 -10.3292 -10.3643 PRESSURE: 3876800 22.3361 37.9194 93.2774 37.9188 58.472 -54.9584 93.277 -54.9576 -168.859 GPRESSURE: 3876800 39.4502 26.0751 155.952 57.3947 105.36 -3.17106 23.4516 -51.5216 -139.162 PRESSAVG: 3876800 32.4278 -54.2867 29.7078 -54.2867 -67.6715 -3.8643 29.7078 -3.8644 34.7883 GPRESSAVG: 3876800 31.2901 -55.9141 30.2379 -52.7905 -65.7306 -1.64616 27.1666 -4.44683 34.1268 TIMING: 3876800 CPU: 11265.9, 0.00290817/step Wall: 11265.9, 0.00290817/step, 0.907348 hours remaining, 210.054688 MB of memory in use. ENERGY: 3876800 742.3958 2062.7598 1963.3431 113.8406 -205682.2227 17537.1273 0.0000 0.0000 34419.1925 -148843.5636 300.5914 -183262.7561 -148743.5497 300.4118 -29.3502 1.8828 556771.9014 -0.1518 -0.1046 PRESSURE: 3877000 -129.73 31.7364 -81.2203 31.7353 -97.427 -116.608 -81.2217 -116.605 145.004 GPRESSURE: 3877000 -37.2006 43.5557 -85.8787 -54.3604 -33.9508 -53.189 -97.1608 -146.376 76.2598 PRESSAVG: 3877000 -69.1123 -17.8243 -27.9127 -17.8243 42.0315 -17.2047 -27.9126 -17.2047 14.9809 GPRESSAVG: 3877000 -67.982 -14.8873 -29.0854 -20.7751 41.097 -18.4362 -28.9239 -16.3469 15.0135 TIMING: 3877000 CPU: 11266.5, 0.00289599/step Wall: 11266.5, 0.00289599/step, 0.903389 hours remaining, 210.269531 MB of memory in use. ENERGY: 3877000 765.5413 2114.5136 1969.9165 118.4549 -206184.8751 17793.5968 0.0000 0.0000 34321.4086 -149101.4435 299.7374 -183422.8521 -149005.7689 300.0691 -27.3843 1.7028 557239.4064 -4.0333 -3.9571 PRESSURE: 3877200 -319.193 -29.3088 -157.674 -29.3087 -213.906 32.7779 -157.675 32.7788 83.542 GPRESSURE: 3877200 -304.605 -61.4507 -89.1563 28.7551 -193.042 159.374 -166.852 -32.6623 156.873 PRESSAVG: 3877200 -29.2492 17.7974 -19.4149 17.7974 47.0803 -50.9877 -19.4149 -50.9877 -24.6084 GPRESSAVG: 3877200 -29.376 17.5025 -17.771 18.0619 47.7746 -50.0395 -17.8556 -52.2157 -25.0071 TIMING: 3877200 CPU: 11267.1, 0.00290327/step Wall: 11267.1, 0.00290327/step, 0.905496 hours remaining, 210.269531 MB of memory in use. ENERGY: 3877200 756.2235 2137.7676 1976.4598 109.1963 -206146.0860 17600.9089 0.0000 0.0000 34430.4713 -149135.0586 300.6899 -183565.5299 -149041.9415 299.7685 -149.8522 -113.5913 557235.5244 -2.2591 -2.2029 PRESSURE: 3877400 -89.9623 187.21 18.1365 187.21 -388.058 151.489 18.1368 151.49 1.65141 GPRESSURE: 3877400 -58.5872 197.755 -48.937 172.732 -369.924 188.012 106.391 144.061 46.4029 PRESSAVG: 3877400 77.6198 9.02631 -23.4257 9.02626 4.9501 27.2932 -23.4257 27.2933 -29.9118 GPRESSAVG: 3877400 76.8281 8.13321 -23.9441 8.54039 5.33119 25.5504 -22.1068 27.6242 -29.9171 TIMING: 3877400 CPU: 11267.7, 0.00291464/step Wall: 11267.7, 0.00291464/step, 0.908882 hours remaining, 210.269531 MB of memory in use. ENERGY: 3877400 750.5615 2116.2250 1971.1771 115.5452 -205970.5209 17523.9182 0.0000 0.0000 34501.9181 -148991.1757 301.3138 -183493.0939 -148892.8059 299.8726 -158.7898 -127.3695 557616.4621 17.5527 17.4141 PRESSURE: 3877600 -93.731 0.331041 105.09 0.329816 -188.913 31.4355 105.09 31.4358 -208.69 GPRESSURE: 3877600 -120.545 28.9139 31.9615 32.6945 -112.039 -15.9225 150.931 47.9909 -168.957 PRESSAVG: 3877600 17.9929 3.58697 38.5058 3.58699 14.0909 38.1304 38.5058 38.1304 -11.8777 GPRESSAVG: 3877600 17.4632 4.2266 39.0191 3.04444 13.1561 39.2244 36.0646 38.6807 -10.7378 TIMING: 3877600 CPU: 11268.2, 0.00290128/step Wall: 11268.2, 0.00290128/step, 0.904555 hours remaining, 210.269531 MB of memory in use. ENERGY: 3877600 748.7885 2106.6201 1965.2149 109.9227 -205636.6847 17440.6925 0.0000 0.0000 34386.5859 -148878.8600 300.3066 -183265.4459 -148778.2840 300.3025 -163.7778 -133.8469 557070.7042 6.7354 6.6271 PRESSURE: 3877800 -188.03 -66.1027 5.91063 -66.1026 -170.382 153.239 5.90931 153.238 -307.015 GPRESSURE: 3877800 -145.224 -63.3738 41.5344 -97.7738 -137.684 202.921 -17.2143 148.653 -291.68 PRESSAVG: 3877800 -17.6114 -0.265995 -35.0927 -0.265974 8.94587 51.1287 -35.0928 51.1287 -16.963 GPRESSAVG: 3877800 -17.0601 0.344267 -37.0802 -1.39215 9.01714 49.0699 -34.0725 50.572 -17.0813 TIMING: 3877800 CPU: 11268.8, 0.00290951/step Wall: 11268.8, 0.00290951/step, 0.90696 hours remaining, 210.269531 MB of memory in use. ENERGY: 3877800 733.5636 2107.1542 1979.5228 122.3198 -205525.5024 17481.1275 0.0000 0.0000 34317.9730 -148783.8415 299.7074 -183101.8145 -148691.6577 300.1037 -221.8089 -191.5291 557660.0345 -8.5428 -8.3747 PRESSURE: 3878000 76.9424 41.0476 22.9774 41.0484 -159.902 29.5401 22.9775 29.5417 -319.295 GPRESSURE: 3878000 105.763 92.0446 -7.83847 0.46728 -190.706 137.623 45.97 -19.0814 -220.077 PRESSAVG: 3878000 28.8388 14.6549 -53.068 14.6548 -6.71324 90.4393 -53.068 90.4393 -37.0389 GPRESSAVG: 3878000 27.9775 12.737 -52.9042 17.33 -5.97985 92.6364 -53.217 91.513 -37.3655 TIMING: 3878000 CPU: 11269.4, 0.00292273/step Wall: 11269.4, 0.00292273/step, 0.910917 hours remaining, 210.269531 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: 3878000 778.8157 2108.9759 1984.7919 117.4365 -205485.4906 17546.2401 0.0000 0.0000 34303.2360 -148645.9946 299.5787 -182949.2306 -148554.9536 301.3928 -134.0849 -101.6733 556288.5663 -4.9711 -5.1226 PRESSURE: 3878200 30.5906 -6.09471 67.0596 -6.0939 -9.01166 69.7327 67.0599 69.7335 -194.352 GPRESSURE: 3878200 49.527 -40.3391 76.5117 5.71089 7.07745 94.3895 138.253 40.001 -137.86 PRESSAVG: 3878200 -7.43599 -20.2943 -43.5281 -20.2943 20.608 31.9076 -43.528 31.9075 -21.1107 GPRESSAVG: 3878200 -6.49344 -20.8286 -41.4448 -20.1629 18.958 31.8061 -42.4434 31.8078 -20.3765 TIMING: 3878200 CPU: 11270, 0.00293009/step Wall: 11270, 0.00293009/step, 0.913048 hours remaining, 210.269531 MB of memory in use. ENERGY: 3878200 735.7702 2128.6893 1977.2324 103.1143 -205596.7212 17596.4670 0.0000 0.0000 34547.9643 -148507.4838 301.7160 -183055.4481 -148413.4829 301.1915 -57.5910 -27.0853 557986.6648 -2.6462 -2.6373 PRESSURE: 3878400 43.9162 97.0582 6.25974 97.0584 58.11 -77.789 6.25911 -77.7863 -260.416 GPRESSURE: 3878400 82.0228 74.8264 17.3391 74.3013 53.9128 -18.3133 -4.91215 -92.6742 -208.169 PRESSAVG: 3878400 5.64825 7.81865 -58.6258 7.81862 7.17817 30.2051 -58.6258 30.205 -2.26917 GPRESSAVG: 3878400 6.17693 7.00209 -59.6427 7.61572 8.49328 31.9039 -57.969 29.1206 -4.41215 TIMING: 3878400 CPU: 11270.6, 0.00295368/step Wall: 11270.6, 0.00295368/step, 0.920237 hours remaining, 210.269531 MB of memory in use. ENERGY: 3878400 767.2175 2156.5105 1982.4621 103.5050 -205665.0037 17666.7408 0.0000 0.0000 34619.3538 -148369.2139 302.3394 -182988.5677 -148275.8802 300.9826 -52.7965 -24.0778 558009.4625 3.5191 3.4194 PRESSURE: 3878600 192.804 107.199 30.791 107.198 -91.405 26.0759 30.7909 26.0769 -104.95 GPRESSURE: 3878600 192.092 142.686 48.5173 153.606 12.1304 82.7262 -17.9445 56.2614 -106.011 PRESSAVG: 3878600 -30.5641 20.1009 -29.7067 20.1008 -3.5583 22.5829 -29.7067 22.5829 4.39298 GPRESSAVG: 3878600 -30.7982 22.1735 -29.5045 19.0243 -2.84897 21.2328 -30.4958 23.3133 4.11406 TIMING: 3878600 CPU: 11271.2, 0.00293781/step Wall: 11271.2, 0.00293781/step, 0.915127 hours remaining, 210.269531 MB of memory in use. ENERGY: 3878600 782.2205 2140.7736 1946.0675 111.4214 -205677.3676 17666.9372 0.0000 0.0000 34467.0494 -148562.8979 301.0093 -183029.9474 -148470.2103 301.0474 -1.1837 32.7374 557054.3522 -9.9098 -9.8444 PRESSURE: 3878800 -100.693 23.4281 -124.145 23.4274 -115.851 132.658 -124.146 132.659 -364.561 GPRESSURE: 3878800 -79.0949 26.3099 -154.526 -62.3201 -87.5647 145.429 -30.3387 71.9904 -319.791 PRESSAVG: 3878800 69.528 37.4021 -18.3011 37.4021 0.823286 51.6694 -18.3011 51.6694 -48.8401 GPRESSAVG: 3878800 68.703 38.554 -20.0164 36.576 1.4035 52.2031 -18.8193 50.9355 -48.5132 TIMING: 3878800 CPU: 11271.8, 0.00291403/step Wall: 11271.8, 0.00291403/step, 0.907557 hours remaining, 210.269531 MB of memory in use. ENERGY: 3878800 743.8181 2190.8251 1967.9160 112.9603 -205620.8514 17490.4456 0.0000 0.0000 34620.9441 -148493.9422 302.3533 -183114.8864 -148396.1989 301.1694 -193.7015 -162.1501 559537.9501 7.1704 7.1978 PRESSURE: 3879000 31.2542 -117.713 -20.7504 -117.714 20.0621 -54.8275 -20.7518 -54.8283 -124.6 GPRESSURE: 3879000 93.9245 -174.883 -44.3332 -70.0501 30.3349 34.7392 52.6361 -75.027 -99.138 PRESSAVG: 3879000 35.338 -30.3328 29.8265 -30.3328 77.9348 12.3104 29.8264 12.3104 -70.2824 GPRESSAVG: 3879000 36.9688 -31.0813 31.1091 -30.9921 77.2445 12.0208 30.5993 12.5987 -70.8377 TIMING: 3879000 CPU: 11272.3, 0.00292188/step Wall: 11272.3, 0.00292188/step, 0.909842 hours remaining, 210.269531 MB of memory in use. ENERGY: 3879000 747.4795 2125.1846 1955.4982 113.6665 -205735.9011 17681.5042 0.0000 0.0000 34588.1402 -148524.4279 302.0668 -183112.5681 -148428.3997 300.8100 -24.4281 8.3738 558606.8757 14.3301 14.4586 PRESSURE: 3879200 104.787 -59.9411 -37.3755 -59.9414 -108.197 -155.455 -37.3748 -155.456 134.416 GPRESSURE: 3879200 84.4564 -139.954 -75.2662 -65.2044 -3.28515 -199.268 -27.1718 -134.174 136.343 PRESSAVG: 3879200 18.5198 -47.9382 42.7711 -47.9381 18.2756 4.43091 42.771 4.43094 -63.3101 GPRESSAVG: 3879200 16.096 -48.372 43.0903 -45.4676 18.4805 4.44167 40.6659 3.60489 -61.2728 TIMING: 3879200 CPU: 11272.9, 0.00293647/step Wall: 11272.9, 0.00293647/step, 0.91422 hours remaining, 210.269531 MB of memory in use. ENERGY: 3879200 757.6407 2138.3558 1980.1350 121.0173 -205693.7499 17775.7721 0.0000 0.0000 34622.7401 -148298.0890 302.3690 -182920.8291 -148206.2152 301.5015 43.6687 72.5047 558650.7440 -8.8382 -8.8988 PRESSURE: 3879400 -139.709 63.3127 -97.0328 63.3122 -26.7925 82.6089 -97.0325 82.6061 38.1168 GPRESSURE: 3879400 -127.989 44.9948 -137.132 0.0127682 33.507 76.7631 -104.47 159.237 67.3078 PRESSAVG: 3879400 46.7258 -39.167 -18.5293 -39.167 -40.3301 15.5565 -18.5293 15.5566 -28.2314 GPRESSAVG: 3879400 47.5512 -40.1319 -18.7548 -40.578 -40.7623 18.2138 -18.001 15.1969 -28.4217 TIMING: 3879400 CPU: 11273.5, 0.0029142/step Wall: 11273.5, 0.0029142/step, 0.907125 hours remaining, 210.269531 MB of memory in use. ENERGY: 3879400 787.3926 2148.4022 1954.1946 112.0884 -205784.5736 17634.4598 0.0000 0.0000 34721.2771 -148426.7589 303.2295 -183148.0360 -148334.5145 301.8388 -42.7948 -9.0582 557684.3466 -7.2786 -7.2110 PRESSURE: 3879600 -230.19 -63.5468 -8.6996 -63.5472 5.39952 -66.5939 -8.70034 -66.5929 -244.949 GPRESSURE: 3879600 -215.899 -49.0806 -42.8584 -70.5782 83.8703 -172.784 -22.8701 -69.7429 -253.453 PRESSAVG: 3879600 -55.8759 20.3396 13.7332 20.3396 12.3044 68.3051 13.7333 68.305 54.7262 GPRESSAVG: 3879600 -54.9801 20.7938 14.6584 19.7122 12.2018 64.525 13.7443 68.1116 54.3017 TIMING: 3879600 CPU: 11274.1, 0.0029223/step Wall: 11274.1, 0.0029223/step, 0.909484 hours remaining, 210.269531 MB of memory in use. ENERGY: 3879600 723.3627 2077.4391 1946.3976 113.9515 -205313.0396 17392.3409 0.0000 0.0000 34434.0393 -148625.5084 300.7210 -183059.5477 -148530.0590 301.3947 -156.5800 -128.4937 558532.9869 3.7182 3.8411 PRESSURE: 3879800 -242.327 -69.3849 -197.028 -69.3855 -74.2966 110.481 -197.027 110.481 58.5739 GPRESSURE: 3879800 -183.008 -87.2192 -256.954 -111.168 -29.6592 147.068 -245.344 92.4635 42.0309 PRESSAVG: 3879800 -17.3758 27.9733 -23.034 27.9733 20.7811 15.933 -23.0339 15.9331 19.748 GPRESSAVG: 3879800 -18.391 28.9463 -24.1156 29.1023 20.9854 17.4898 -22.0089 17.6655 20.1171 TIMING: 3879800 CPU: 11274.7, 0.00293119/step Wall: 11274.7, 0.00293119/step, 0.912089 hours remaining, 210.269531 MB of memory in use. ENERGY: 3879800 710.1821 2049.7481 1952.6859 121.4778 -205362.8282 17541.0735 0.0000 0.0000 34360.4385 -148627.2223 300.0783 -182987.6608 -148534.1572 301.0993 -86.0166 -56.8789 559637.4856 7.7178 7.5705 PRESSURE: 3880000 -103.717 -212.482 -153.636 -212.481 -187.62 64.6703 -153.635 64.6701 -129.659 GPRESSURE: 3880000 -39.9732 -205.708 -242.82 -200.615 -130.215 -39.4431 -181.202 181.645 -146.664 PRESSAVG: 3880000 15.2172 -50.2682 -29.7985 -50.2682 39.5547 68.5917 -29.7984 68.5918 -52.5319 GPRESSAVG: 3880000 14.6154 -50.8645 -32.1076 -50.7416 39.9585 67.8551 -29.7858 70.0681 -52.4148 TIMING: 3880000 CPU: 11275.3, 0.00290343/step Wall: 11275.3, 0.00290343/step, 0.903288 hours remaining, 210.269531 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: 3880000 788.3546 2089.1716 1945.7671 126.3795 -205467.2245 17430.6915 0.0000 0.0000 34413.0478 -148673.8124 300.5377 -183086.8602 -148587.6270 301.0163 -140.3320 -105.6173 557811.4004 0.7467 0.7197 PRESSURE: 3880200 -258.979 91.9639 -263.992 91.9629 -40.5773 -18.4952 -263.992 -18.4974 -207.823 GPRESSURE: 3880200 -206.251 26.4714 -278.818 110.756 -10.1633 -4.79492 -201.433 -19.0958 -189.936 PRESSAVG: 3880200 -45.2902 -27.051 -22.6322 -27.051 41.2702 42.3161 -22.6322 42.3161 -25.4583 GPRESSAVG: 3880200 -44.8175 -26.6446 -19.6964 -24.4605 41.2994 42.2072 -23.5923 40.6075 -26.1806 TIMING: 3880200 CPU: 11275.8, 0.00293186/step Wall: 11275.8, 0.00293186/step, 0.911972 hours remaining, 210.269531 MB of memory in use. ENERGY: 3880200 767.3846 2124.1175 1956.5590 121.4169 -205240.8847 17424.9677 0.0000 0.0000 34303.6556 -148542.7835 299.5824 -182846.4391 -148443.5099 301.0065 -169.1265 -135.4500 558593.5026 -9.8261 -9.8996 LDB: ============= START OF LOAD BALANCING ============== 11279.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11279.3 LDB: =============== DONE WITH MIGRATION ================ 11279.3 LDB: ============= START OF LOAD BALANCING ============== 11279.6 LDB: Largest compute 4847 load 0.030017 is 25.5% of average load 0.117864 LDB: Average compute 0.001741 is 1.5% of average load 0.117864 LDB: TIME 11279.6 LOAD: AVG 0.117864 MAX 0.182459 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.918 MB LDB: TIME 11279.6 LOAD: AVG 0.117864 MAX 0.182459 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: TIME 11279.6 LOAD: AVG 0.117864 MAX 0.182459 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 11279.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11279.6 PRESSURE: 3880400 -159.144 -50.1949 201.274 -50.194 -117.282 -11.3538 201.275 -11.3536 -207.56 GPRESSURE: 3880400 -124.769 -55.3951 256.494 -44.8081 -103.984 66.6032 182.814 -99.8164 -165.964 PRESSAVG: 3880400 -60.9907 -11.7701 -26.1626 -11.7701 91.5429 7.34468 -26.1626 7.34465 -7.5418 GPRESSAVG: 3880400 -60.7099 -14.2895 -25.2093 -11.3266 91.4669 8.60642 -27.5705 8.18248 -7.94094 TIMING: 3880400 CPU: 11276.4, 0.00297703/step Wall: 11276.4, 0.00297703/step, 0.925855 hours remaining, 207.945312 MB of memory in use. ENERGY: 3880400 724.5249 2087.3274 1955.5059 103.4395 -205293.9908 17512.9913 0.0000 0.0000 34356.0370 -148554.1648 300.0398 -182910.2018 -148458.9349 300.6586 -161.3289 -131.5720 558462.2960 7.6701 7.6053 PRESSURE: 3880600 -143.135 3.86313 -21.7169 3.86417 257.823 -80.9492 -21.7179 -80.9502 68.7811 GPRESSURE: 3880600 -172.776 -40.0745 -88.2867 11.9712 349.383 -105.87 -5.97774 -42.0676 113.132 PRESSAVG: 3880600 -62.8014 -30.408 6.06562 -30.408 81.7085 -40.3872 6.06562 -40.3871 -59.8374 GPRESSAVG: 3880600 -64.3449 -28.9908 4.52416 -33.0109 82.2295 -40.4454 7.07461 -41.1651 -59.1507 TIMING: 3880600 CPU: 11277, 0.00290989/step Wall: 11277, 0.00290989/step, 0.904813 hours remaining, 208.128906 MB of memory in use. ENERGY: 3880600 736.2445 2089.1912 1935.3641 109.5940 -205772.4868 17848.4497 0.0000 0.0000 34405.2041 -148648.4392 300.4692 -183053.6433 -148556.6631 300.8015 61.1562 96.5795 557884.7129 -13.6434 -13.7554 PRESSURE: 3880800 226.475 -164.765 -50.8291 -164.767 -64.5602 194.459 -50.8287 194.461 -48.4824 GPRESSURE: 3880800 255.892 -134.687 -45.578 -108.682 -7.27796 240.681 -23.0385 106.296 -48.3757 PRESSAVG: 3880800 -3.16461 -38.2559 -31.6123 -38.2558 34.8146 26.4791 -31.6123 26.4792 -3.01935 GPRESSAVG: 3880800 -2.35544 -37.9563 -31.2578 -35.9616 34.264 26.0679 -32.1708 25.6838 -3.67113 TIMING: 3880800 CPU: 11277.6, 0.00293436/step Wall: 11277.6, 0.00293436/step, 0.912259 hours remaining, 208.128906 MB of memory in use. ENERGY: 3880800 751.4205 2163.5921 1957.1513 116.1337 -205879.8677 17892.6495 0.0000 0.0000 34439.9392 -148558.9814 300.7726 -182998.9206 -148466.8144 301.1308 37.8109 66.7462 558253.6368 9.5436 9.4125 PRESSURE: 3881000 -148.992 27.9312 -94.2645 27.9316 110.949 19.9259 -94.2634 19.9265 -37.9753 GPRESSURE: 3881000 -120.212 37.5476 -38.0361 18.147 109.22 53.3318 -177.257 -46.1681 34.8555 PRESSAVG: 3881000 16.6567 -1.29434 25.5966 -1.29432 74.1464 -12.9808 25.5965 -12.9806 -64.1549 GPRESSAVG: 3881000 15.7596 -1.13833 23.9363 -3.06959 74.5644 -14.787 25.5971 -10.1474 -64.0008 TIMING: 3881000 CPU: 11278.2, 0.00292847/step Wall: 11278.2, 0.00292847/step, 0.910266 hours remaining, 208.128906 MB of memory in use. ENERGY: 3881000 741.4878 2073.7974 1925.8721 125.8101 -205577.1414 17672.5382 0.0000 0.0000 34550.0328 -148487.6030 301.7340 -183037.6358 -148391.1580 301.0088 -25.3396 7.9545 559360.5331 8.8827 8.7744 PRESSURE: 3881200 -83.6141 -105.263 -102.295 -105.263 -337.198 103.177 -102.294 103.178 -91.0719 GPRESSURE: 3881200 -45.0623 -65.0565 -107.933 -103.019 -292.916 81.3712 -80.4682 163.578 -68.2938 PRESSAVG: 3881200 44.6521 -1.51613 53.8531 -1.51621 63.2889 24.9176 53.8532 24.9176 -57.1335 GPRESSAVG: 3881200 46.0989 -1.00793 56.1193 -0.924783 62.835 26.6794 53.2977 22.8863 -57.9443 TIMING: 3881200 CPU: 11278.8, 0.00292326/step Wall: 11278.8, 0.00292326/step, 0.908485 hours remaining, 208.332031 MB of memory in use. ENERGY: 3881200 744.9961 1982.5416 1969.2070 114.4997 -205271.0095 17401.7843 0.0000 0.0000 34520.3260 -148537.6548 301.4746 -183057.9808 -148437.9376 300.8451 -170.6280 -135.4239 559132.6275 16.9358 16.9965 PRESSURE: 3881400 -52.6824 -118.269 71.012 -118.269 30.24 149.562 71.0119 149.561 -137.005 GPRESSURE: 3881400 -70.7974 -119.682 46.8442 -34.4813 50.1441 76.2031 177.742 160.632 -44.1592 PRESSAVG: 3881400 -29.1665 15.3314 -11.1956 15.3314 3.4235 4.82749 -11.1956 4.82756 18.3783 GPRESSAVG: 3881400 -28.1343 13.6832 -13.1644 15.6415 3.23734 4.11224 -7.96331 6.32119 17.7587 TIMING: 3881400 CPU: 11279.4, 0.00293232/step Wall: 11279.4, 0.00293232/step, 0.911136 hours remaining, 208.332031 MB of memory in use. ENERGY: 3881400 763.3685 2092.9614 1950.3167 110.1242 -205758.4498 17674.3890 0.0000 0.0000 34690.4125 -148476.8776 302.9600 -183167.2900 -148382.9281 300.7752 -53.1492 -21.6042 557775.5641 -2.4549 -2.3794 PRESSURE: 3881600 -32.7515 -57.631 -229.778 -57.6314 70.6618 -31.4452 -229.778 -31.4442 -211.503 GPRESSURE: 3881600 36.3596 -82.0192 -213.823 -84.8402 75.4545 -49.6131 -142.32 -3.30721 -202.433 PRESSAVG: 3881600 -36.5293 4.64784 49.238 4.64792 83.7424 -8.62351 49.238 -8.62352 -16.8525 GPRESSAVG: 3881600 -36.7494 4.49095 49.6497 4.8092 84.0855 -7.80446 48.022 -8.53361 -16.9452 TIMING: 3881600 CPU: 11280, 0.00293509/step Wall: 11280, 0.00293509/step, 0.911834 hours remaining, 208.332031 MB of memory in use. ENERGY: 3881600 764.1312 2107.7298 1962.0051 110.2331 -205768.6921 17811.0049 0.0000 0.0000 34629.9846 -148383.6034 302.4323 -183013.5880 -148293.0637 301.5510 -57.8641 -30.2064 560347.7148 10.1202 10.1303 PRESSURE: 3881800 -166.128 83.3405 207.212 83.3404 -27.0179 40.7549 207.212 40.7562 -28.0392 GPRESSURE: 3881800 -143.524 -31.75 232.457 104.098 30.8178 75.532 143.443 86.1392 1.12244 PRESSAVG: 3881800 17.6569 -22.8807 -18.6167 -22.8807 7.24564 -26.1366 -18.6168 -26.1365 -31.8493 GPRESSAVG: 3881800 15.9743 -20.2685 -17.5892 -25.4844 7.65704 -24.9679 -19.9703 -28.6083 -30.9042 TIMING: 3881800 CPU: 11280.5, 0.00293743/step Wall: 11280.5, 0.00293742/step, 0.912397 hours remaining, 208.332031 MB of memory in use. ENERGY: 3881800 741.0562 2096.8037 1974.1804 112.3362 -205577.8166 17584.9647 0.0000 0.0000 34663.5735 -148404.9020 302.7256 -183068.4754 -148306.6069 301.6813 -73.7285 -37.1944 559144.6893 -2.3156 -2.4243 PRESSURE: 3882000 184.96 -77.7797 48.1842 -77.7803 40.3753 70.0814 48.1844 70.081 5.21299 GPRESSURE: 3882000 250.574 -3.50507 -85.7899 -103.585 48.1325 95.2101 80.4229 94.0825 26.9539 PRESSAVG: 3882000 1.80573 -7.59644 56.4296 -7.5964 69.3934 56.5232 56.4296 56.5232 -47.2709 GPRESSAVG: 3882000 1.71202 -9.1975 55.7714 -5.03432 69.8694 53.3376 56.8785 58.1061 -47.6006 TIMING: 3882000 CPU: 11281.1, 0.002929/step Wall: 11281.1, 0.002929/step, 0.909616 hours remaining, 208.332031 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: 3882000 725.5340 2099.6039 1949.2493 106.8535 -205598.5687 17573.8296 0.0000 0.0000 34587.1649 -148556.3335 302.0583 -183143.4984 -148457.6768 301.2728 76.8494 108.5533 556363.2018 7.9761 7.9936 PRESSURE: 3882200 169.182 95.9992 57.9519 96.0003 -14.5283 -137.569 57.9534 -137.57 -226.092 GPRESSURE: 3882200 261.846 79.1818 67.3447 116.803 -46.7016 -133.391 77.381 -138.452 -185.893 PRESSAVG: 3882200 15.5091 -39.8499 -21.7888 -39.8499 68.2471 21.8863 -21.7888 21.8864 -80.8574 GPRESSAVG: 3882200 16.0797 -37.1879 -19.6241 -40.7241 67.3881 23.777 -23.3937 20.9408 -80.8922 TIMING: 3882200 CPU: 11281.7, 0.0029232/step Wall: 11281.7, 0.00292321/step, 0.907655 hours remaining, 208.332031 MB of memory in use. ENERGY: 3882200 738.0271 2072.1852 1951.4277 94.8889 -205866.3669 17761.0075 0.0000 0.0000 34579.0697 -148669.7607 301.9876 -183248.8305 -148581.3041 301.7668 -23.8125 9.7505 558299.1174 0.9663 0.8585 PRESSURE: 3882400 111.396 -0.674278 55.2831 -0.67452 66.0182 114.214 55.2834 114.214 297.368 GPRESSURE: 3882400 83.7809 16.4818 82.5506 -43.9272 138.928 126.33 33.5334 134.673 333.179 PRESSAVG: 3882400 7.81429 -10.1174 3.94138 -10.1174 25.2151 37.4216 3.94144 37.4217 -25.1081 GPRESSAVG: 3882400 7.24409 -12.8485 2.57176 -8.14985 24.9598 36.6967 5.97104 38.5518 -24.1004 TIMING: 3882400 CPU: 11282.3, 0.00293765/step Wall: 11282.3, 0.00293765/step, 0.911977 hours remaining, 208.332031 MB of memory in use. ENERGY: 3882400 688.4509 2065.2402 1985.2193 112.0633 -206242.0526 17978.6167 0.0000 0.0000 34443.9379 -148968.5243 300.8075 -183412.4622 -148872.4290 301.3230 158.2607 185.2958 558201.8238 2.6404 2.7012 PRESSURE: 3882600 182.79 -21.2666 12.2845 -21.2667 -26.4354 56.728 12.2859 56.7277 -63.8304 GPRESSURE: 3882600 138.397 -105.282 -69.5992 0.447704 59.3497 10.7041 37.1471 25.5295 -4.08053 PRESSAVG: 3882600 36.3087 2.7235 37.8802 2.7235 -37.1848 -16.4843 37.8802 -16.4844 -25.0132 GPRESSAVG: 3882600 37.025 3.72357 35.9678 1.38836 -37.4414 -16.7767 37.8213 -17.4615 -25.5888 TIMING: 3882600 CPU: 11282.9, 0.00291702/step Wall: 11282.9, 0.00291702/step, 0.905411 hours remaining, 208.332031 MB of memory in use. ENERGY: 3882600 722.3871 2126.4102 1932.5239 120.0912 -206397.4708 17942.1769 0.0000 0.0000 34452.6691 -149101.2122 300.8837 -183553.8814 -149007.6114 300.2349 30.8414 64.5555 557118.0418 -8.6298 -8.6684 PRESSURE: 3882800 -315.302 -74.8223 -30.9481 -74.8225 144.96 -9.00898 -30.95 -9.01001 -211.802 GPRESSURE: 3882800 -286.926 -73.0211 51.2394 -107.346 205.289 -14.224 -172.612 19.6297 -198.38 PRESSAVG: 3882800 -1.82717 -37.094 -39.5027 -37.094 -2.34997 -58.0772 -39.5027 -58.0772 51.4544 GPRESSAVG: 3882800 -2.99724 -34.5038 -37.4152 -37.7486 -1.1622 -58.5238 -40.9817 -57.2913 51.5406 TIMING: 3882800 CPU: 11283.5, 0.00290249/step Wall: 11283.5, 0.00290249/step, 0.900741 hours remaining, 208.535156 MB of memory in use. ENERGY: 3882800 729.4396 2052.2199 1941.6877 114.0956 -206010.6092 17836.7856 0.0000 0.0000 34304.1591 -149032.2218 299.5868 -183336.3810 -148933.5413 299.7934 -127.3812 -93.3390 558651.0435 15.7591 15.7937 PRESSURE: 3883000 -29.6172 120.428 103.173 120.428 -81.6576 113.361 103.173 113.361 12.3751 GPRESSURE: 3883000 -23.7377 174.834 143.02 85.9633 -97.0189 77.1744 53.9052 24.009 116.622 PRESSAVG: 3883000 9.72403 -16.559 -27.4105 -16.559 -4.08651 28.0855 -27.4105 28.0855 -17.9191 GPRESSAVG: 3883000 11.4489 -18.2598 -29.5011 -16.2882 -5.35302 29.5933 -25.1709 27.0925 -17.7996 TIMING: 3883000 CPU: 11284.1, 0.00293839/step Wall: 11284.1, 0.00293839/step, 0.911719 hours remaining, 208.535156 MB of memory in use. ENERGY: 3883000 725.3893 2123.6011 1926.6612 108.0472 -205965.9194 17682.7017 0.0000 0.0000 34480.8557 -148918.6632 301.1299 -183399.5189 -148820.0818 299.7784 -32.9665 -1.3781 558912.1168 -4.0939 -3.9012 PRESSURE: 3883200 -286.44 -90.1943 1.12635 -90.1944 -104.19 9.52567 1.12551 9.52398 81.1733 GPRESSURE: 3883200 -254.792 -111.041 -37.368 -7.42765 -37.7558 -36.7186 60.9454 47.2099 93.7007 PRESSAVG: 3883200 -21.9747 3.74834 -3.11343 3.74827 4.09241 -14.8255 -3.11336 -14.8255 -19.5314 GPRESSAVG: 3883200 -22.4967 3.16812 -1.47259 4.48759 4.49377 -14.6912 -4.02252 -14.6517 -19.3085 TIMING: 3883200 CPU: 11284.6, 0.00291355/step Wall: 11284.6, 0.00291355/step, 0.903849 hours remaining, 208.535156 MB of memory in use. ENERGY: 3883200 743.0106 2089.1411 1938.5793 112.0266 -205893.7018 17689.3505 0.0000 0.0000 34236.8261 -149084.7675 298.9987 -183321.5936 -148987.1094 300.1058 -103.1521 -66.2824 557655.3852 -12.4712 -12.4371 PRESSURE: 3883400 -256.787 -27.6406 62.9519 -27.6402 -217.94 -39.4221 62.9526 -39.422 127.861 GPRESSURE: 3883400 -153.857 11.4267 162.749 -16.9697 -227.391 24.6459 8.70228 -38.7214 139.804 PRESSAVG: 3883400 -36.2562 -10.8323 14.6282 -10.8323 -37.453 -3.8598 14.6283 -3.85979 53.7946 GPRESSAVG: 3883400 -36.8169 -9.77108 14.0514 -10.3027 -35.8291 -5.65492 13.1555 -3.39472 52.7737 TIMING: 3883400 CPU: 11285.2, 0.00290633/step Wall: 11285.2, 0.00290633/step, 0.901447 hours remaining, 208.535156 MB of memory in use. ENERGY: 3883400 742.9822 2055.8346 1942.8746 105.8851 -205779.6354 17539.0394 0.0000 0.0000 34357.0743 -149035.9450 300.0489 -183393.0193 -148945.0691 299.8864 -115.6217 -80.4815 558334.8238 -6.6382 -6.6241 PRESSURE: 3883600 -260.604 16.2465 -49.7774 16.2476 50.8319 3.55074 -49.7779 3.54919 85.6749 GPRESSURE: 3883600 -222.133 33.9645 -56.8976 54.9182 71.3004 -18.6927 -63.7007 51.6277 113.558 PRESSAVG: 3883600 -12.755 -27.335 7.03311 -27.335 -40.2453 6.83986 7.03309 6.8399 65.9007 GPRESSAVG: 3883600 -13.382 -25.7035 7.27147 -27.1187 -40.2852 10.0314 7.37571 4.61227 67.1383 TIMING: 3883600 CPU: 11285.8, 0.00291857/step Wall: 11285.8, 0.00291857/step, 0.905081 hours remaining, 208.535156 MB of memory in use. ENERGY: 3883600 730.1786 2082.9612 1948.2942 113.6105 -206198.4697 17845.1605 0.0000 0.0000 34335.5825 -149142.6823 299.8612 -183478.2648 -149037.5033 299.6792 -41.3656 -12.4247 558560.1225 4.3001 4.4903 PRESSURE: 3883800 -144.15 109.264 -73.7766 109.263 -207.889 -133.11 -73.7766 -133.11 -260.41 GPRESSURE: 3883800 -138.302 76.7548 4.15651 116.048 -142.026 -136.023 -68.7754 -87.6551 -249.161 PRESSAVG: 3883800 -38.7884 18.8025 -38.2979 18.8025 30.0957 -13.0631 -38.2978 -13.0631 -8.79059 GPRESSAVG: 3883800 -37.9533 16.083 -37.997 19.1901 30.3178 -15.8709 -37.1215 -10.5881 -9.40336 TIMING: 3883800 CPU: 11286.4, 0.00290886/step Wall: 11286.4, 0.00290886/step, 0.901909 hours remaining, 208.535156 MB of memory in use. ENERGY: 3883800 751.8301 2096.7676 1932.8564 110.7731 -205879.4699 17653.1654 0.0000 0.0000 34273.1767 -149060.9005 299.3162 -183334.0771 -148964.9163 299.3810 -204.1494 -176.4960 559180.1450 -5.8278 -5.6796 PRESSURE: 3884000 -212.76 67.4893 18.8491 67.4893 -274.744 43.0333 18.849 43.0336 10.6222 GPRESSURE: 3884000 -170.87 59.8877 -17.328 62.0996 -230.557 -0.102244 47.9211 7.1166 16.3777 PRESSAVG: 3884000 23.2606 -9.58003 11.1447 -9.58002 -28.3813 15.5672 11.1447 15.5674 -34.8785 GPRESSAVG: 3884000 23.6825 -8.36049 11.2681 -9.26642 -28.972 18.8688 9.14029 13.7262 -34.8833 TIMING: 3884000 CPU: 11287, 0.00290213/step Wall: 11287, 0.00290213/step, 0.899661 hours remaining, 208.535156 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: 3884000 705.8845 2081.5817 1969.7550 103.6588 -205758.3840 17479.5468 0.0000 0.0000 34270.1016 -149147.8556 299.2893 -183417.9572 -149058.5505 299.3532 -158.9608 -128.3498 557428.8205 -13.3331 -13.3910 PRESSURE: 3884200 37.4478 -135.401 -78.698 -135.4 40.9442 -76.1367 -78.6992 -76.1361 -113.854 GPRESSURE: 3884200 71.5806 -91.1731 5.52525 -90.2794 51.4462 -163.513 -82.98 -115.616 -87.5245 PRESSAVG: 3884200 45.1984 -62.2721 -17.2137 -62.2722 -85.8746 -23.9651 -17.2137 -23.965 -7.96185 GPRESSAVG: 3884200 44.5864 -59.8979 -16.7056 -64.1655 -86.392 -26.353 -17.0948 -23.2543 -7.1417 TIMING: 3884200 CPU: 11287.5, 0.00293499/step Wall: 11287.5, 0.00293499/step, 0.909685 hours remaining, 208.535156 MB of memory in use. ENERGY: 3884200 703.7236 2136.2687 1943.5141 113.2103 -206102.5073 17752.1120 0.0000 0.0000 34148.3696 -149305.3090 298.2262 -183453.6786 -149217.0247 299.3964 -11.8205 11.8341 559080.6409 -16.2127 -16.3158 LDB: ============= START OF LOAD BALANCING ============== 11291 LDB: ============== END OF LOAD BALANCING =============== 11291 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11291 LDB: ============= START OF LOAD BALANCING ============== 11291.3 LDB: Largest compute 4848 load 0.029342 is 24.9% of average load 0.117846 LDB: Average compute 0.001734 is 1.5% of average load 0.117846 LDB: TIME 11291.3 LOAD: AVG 0.117846 MAX 0.181595 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.172 MB LDB: TIME 11291.3 LOAD: AVG 0.117846 MAX 0.181595 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: TIME 11291.3 LOAD: AVG 0.117846 MAX 0.181595 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11291.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11291.3 PRESSURE: 3884400 -133.334 110.877 -13.6182 110.877 -187.121 12.0683 -13.6174 12.0672 -147.67 GPRESSURE: 3884400 -55.2102 94.4371 -107.472 81.3194 -198.418 35.4731 5.18478 -50.8101 -135.538 PRESSAVG: 3884400 9.49919 -37.8799 -4.27245 -37.8798 31.522 -50.8121 -4.27247 -50.8121 -39.9049 GPRESSAVG: 3884400 10.9232 -39.1217 -5.00996 -37.8862 31.4176 -47.832 -3.97303 -52.3986 -41.207 TIMING: 3884400 CPU: 11288.2, 0.0030093/step Wall: 11288.2, 0.0030093/step, 0.932549 hours remaining, 206.003906 MB of memory in use. ENERGY: 3884400 744.2478 2071.4941 1947.2312 107.6652 -205907.0072 17437.8977 0.0000 0.0000 34373.6951 -149224.7760 300.1940 -183598.4711 -149124.9958 299.4114 -156.0417 -129.7220 558658.2807 0.3721 0.3779 PRESSURE: 3884600 5.42483 50.6239 -5.53134 50.6232 -38.7479 120.165 -5.53139 120.166 52.6562 GPRESSURE: 3884600 17.2985 42.6704 10.3419 6.23834 -6.5525 152.393 37.8765 148.62 115.764 PRESSAVG: 3884600 -49.6329 -14.9023 -27.5594 -14.9024 -27.4229 -0.97963 -27.5595 -0.979446 64.0689 GPRESSAVG: 3884600 -50.6254 -14.6292 -27.5425 -15.7501 -26.8056 -0.321833 -28.3029 0.510989 64.4897 TIMING: 3884600 CPU: 11288.7, 0.00292443/step Wall: 11288.7, 0.00292443/step, 0.906085 hours remaining, 206.207031 MB of memory in use. ENERGY: 3884600 723.1496 2068.6094 1952.5523 122.0894 -206160.5190 17927.3731 0.0000 0.0000 34129.5216 -149237.2237 298.0616 -183366.7453 -149144.0777 299.0940 6.4444 42.1700 557713.1732 -4.3290 -4.3138 PRESSURE: 3884800 125.239 47.533 -9.85746 47.5335 237.544 80.9701 -9.85676 80.9708 147.769 GPRESSURE: 3884800 161.073 -27.4073 -49.8225 31.9334 228.283 73.1079 28.8539 114.244 224.73 PRESSAVG: 3884800 20.7073 -41.6381 11.3421 -41.6382 4.03877 34.5646 11.3422 34.5645 -35.3795 GPRESSAVG: 3884800 20.7172 -41.6807 9.41893 -41.6982 4.32346 32.0584 14.1936 35.0424 -35.5358 TIMING: 3884800 CPU: 11289.3, 0.00291669/step Wall: 11289.3, 0.00291669/step, 0.903526 hours remaining, 206.207031 MB of memory in use. ENERGY: 3884800 727.7398 2084.4792 1965.0821 106.6870 -206580.5051 18059.5172 0.0000 0.0000 34449.4303 -149187.5695 300.8554 -183636.9998 -149090.7039 298.7471 170.1839 204.6953 557453.0035 -3.5445 -3.4984 PRESSURE: 3885000 -73.1678 189.484 -183.153 189.484 36.5771 -81.5747 -183.152 -81.5744 -275.777 GPRESSURE: 3885000 -14.6853 181.511 -165.128 106.512 38.7775 -21.4016 -235.937 -24.4294 -241.589 PRESSAVG: 3885000 13.6582 36.715 -10.0205 36.715 44.1401 -0.56295 -10.0205 -0.563039 -64.9208 GPRESSAVG: 3885000 12.94 35.8324 -6.76664 35.309 44.7874 -0.92495 -12.3141 -1.66823 -64.4653 TIMING: 3885000 CPU: 11289.9, 0.00294422/step Wall: 11289.9, 0.00294422/step, 0.911892 hours remaining, 206.207031 MB of memory in use. ENERGY: 3885000 757.6323 2101.1895 1950.4850 122.3046 -206314.6980 17777.3606 0.0000 0.0000 34342.0416 -149263.6843 299.9176 -183605.7259 -149166.0588 299.4677 -104.1227 -72.4989 557209.4596 -2.3742 -2.2460 PRESSURE: 3885200 -371.911 -22.4975 213.376 -22.4958 -50.8745 10.1968 213.377 10.1981 17.1863 GPRESSURE: 3885200 -346.297 -71.208 210.097 54.8714 2.60805 -41.6354 210.551 5.2422 39.467 PRESSAVG: 3885200 -61.6422 47.4088 19.0648 47.4089 30.7705 -19.9353 19.0648 -19.9354 14.5297 GPRESSAVG: 3885200 -61.4857 45.162 17.9837 50.7939 30.7074 -19.6128 19.9104 -20.4119 14.1582 TIMING: 3885200 CPU: 11290.5, 0.00292995/step Wall: 11290.5, 0.00292995/step, 0.907307 hours remaining, 206.207031 MB of memory in use. ENERGY: 3885200 753.1520 2100.4364 1944.0267 114.8596 -206047.4449 17678.1125 0.0000 0.0000 34235.6243 -149221.2335 298.9882 -183456.8578 -149130.9901 298.9473 -135.1997 -101.4075 560022.1010 -5.4473 -5.5400 PRESSURE: 3885400 -212.931 136.407 125.889 136.407 109.637 -3.92894 125.89 -3.92924 -125.631 GPRESSURE: 3885400 -166.208 138.508 56.7013 95.6426 118.038 -24.4496 94.8377 39.9837 -79.9669 PRESSAVG: 3885400 -8.15574 62.0841 64.4158 62.0841 -5.9807 -28.9933 64.4158 -28.9932 4.96823 GPRESSAVG: 3885400 -8.1058 64.5942 63.4365 61.6589 -7.1756 -27.2159 65.7175 -28.8251 6.27895 TIMING: 3885400 CPU: 11291.1, 0.00289788/step Wall: 11291.1, 0.00289788/step, 0.897216 hours remaining, 206.207031 MB of memory in use. ENERGY: 3885400 713.5355 2091.4880 1923.9693 100.1156 -206101.1259 17648.5977 0.0000 0.0000 34366.7715 -149256.6483 300.1336 -183623.4198 -149153.2535 298.9557 -76.3084 -42.7124 557781.0485 -3.0561 -3.0008 PRESSURE: 3885600 139.269 183.226 50.7583 183.225 -100.344 134.497 50.7584 134.496 19.3704 GPRESSURE: 3885600 114.502 181.053 73.277 160.693 -62.734 152.739 112.058 130.429 85.7109 PRESSAVG: 3885600 39.6132 14.6094 -0.633853 14.6094 6.37438 41.1024 -0.633898 41.1025 1.96627 GPRESSAVG: 3885600 39.5137 17.0549 -0.575283 14.1297 7.28246 38.653 -0.658127 41.7652 1.26169 TIMING: 3885600 CPU: 11291.7, 0.00291394/step Wall: 11291.7, 0.00291394/step, 0.902028 hours remaining, 206.207031 MB of memory in use. ENERGY: 3885600 743.7483 2045.2670 1952.6830 122.3473 -206197.8872 17847.0524 0.0000 0.0000 34272.6594 -149214.1299 299.3117 -183486.7893 -149125.8976 299.2881 19.4318 45.8263 558096.5950 15.9846 16.0193 PRESSURE: 3885800 -73.4665 35.7945 -101.052 35.7956 -147.407 -77.2609 -101.052 -77.2608 -183.507 GPRESSURE: 3885800 -17.7037 56.0168 -1.58429 7.44904 -171.556 -107.009 -109.915 -102.846 -122.32 PRESSAVG: 3885800 101.495 66.7238 -3.46085 66.7238 -75.2882 56.7119 -3.46081 56.7119 1.61141 GPRESSAVG: 3885800 102.351 63.1239 -4.73015 67.0492 -75.1592 57.7101 -3.20986 57.6039 1.26753 TIMING: 3885800 CPU: 11292.2, 0.00290992/step Wall: 11292.2, 0.00290992/step, 0.900619 hours remaining, 206.207031 MB of memory in use. ENERGY: 3885800 766.1078 2118.8327 1925.8550 118.5816 -206171.6145 17688.9035 0.0000 0.0000 34376.6880 -149176.6458 300.2202 -183553.3338 -149077.4958 299.6197 -134.7934 -103.8598 556619.0654 9.2727 9.4864 PRESSURE: 3886000 123.444 -69.2413 -68.8367 -69.2418 -112.016 -52.1479 -68.8368 -52.1477 -96.8988 GPRESSURE: 3886000 154.626 -52.6965 -99.9148 -44.8876 -105.178 -15.6249 -47.415 -52.2356 -51.4984 PRESSAVG: 3886000 38.1524 19.8033 6.2866 19.8033 -13.7538 -54.0576 6.28657 -54.0578 -8.62132 GPRESSAVG: 3886000 37.3421 21.1431 8.09445 20.2215 -13.1032 -51.92 4.66562 -55.4683 -8.48363 TIMING: 3886000 CPU: 11292.8, 0.00293831/step Wall: 11292.8, 0.00293831/step, 0.909245 hours remaining, 206.207031 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: 3886000 723.9935 2118.7154 1938.5170 120.5621 -206289.0981 17896.1841 0.0000 0.0000 34461.9520 -149029.1740 300.9648 -183491.1260 -148934.9169 299.8415 -28.4904 -0.6834 557752.0682 5.2591 5.2518 PRESSURE: 3886200 -53.7392 117.063 -129.89 117.063 -81.768 -10.4374 -129.892 -10.4376 234.904 GPRESSURE: 3886200 -47.9646 118.812 -91.0332 145.209 -14.2376 122.881 -156.402 -78.9159 268.208 PRESSAVG: 3886200 77.083 53.5695 21.1652 53.5695 -22.2579 1.9284 21.1652 1.92844 -65.3291 GPRESSAVG: 3886200 75.9602 53.5284 19.8273 53.3358 -22.2691 -0.0201127 23.2922 3.96593 -64.6196 TIMING: 3886200 CPU: 11293.4, 0.0029016/step Wall: 11293.4, 0.0029016/step, 0.897722 hours remaining, 206.207031 MB of memory in use. ENERGY: 3886200 745.6515 2112.9209 1965.1707 123.8092 -205957.9843 17820.0559 0.0000 0.0000 34213.5493 -148976.8268 298.7954 -183190.3761 -148890.4268 300.0765 33.1322 68.6684 556992.3072 -3.5013 -3.6428 PRESSURE: 3886400 18.819 187.302 -242.169 187.303 -2.26106 -47.0907 -242.168 -47.0898 354.258 GPRESSURE: 3886400 96.7807 120.33 -201.658 201.006 63.069 -17.419 -200.169 -28.1294 300.985 PRESSAVG: 3886400 35.0429 45.0831 -2.24986 45.0831 -17.9978 -44.8292 -2.24986 -44.8291 -63.8307 GPRESSAVG: 3886400 35.3854 43.9466 -0.0840372 45.9321 -17.7524 -44.9641 -4.59168 -47.1994 -64.2311 TIMING: 3886400 CPU: 11294, 0.00292059/step Wall: 11294, 0.00292059/step, 0.903436 hours remaining, 206.277344 MB of memory in use. ENERGY: 3886400 728.0810 2104.7542 1964.5904 122.4154 -206005.4409 17780.4976 0.0000 0.0000 34155.0274 -149150.0750 298.2843 -183305.1024 -149048.3814 299.8642 123.6055 153.6115 556596.1777 -15.5952 -15.5327 PRESSURE: 3886600 -18.6483 -91.403 173.598 -91.4027 -157.359 29.2233 173.597 29.2248 -65.1145 GPRESSURE: 3886600 29.8998 -141.951 270.037 -39.7703 -148.792 103.196 121.826 8.88256 -19.1681 PRESSAVG: 3886600 -58.3569 38.8837 18.1313 38.8835 24.849 -57.8358 18.1313 -57.8358 53.9064 GPRESSAVG: 3886600 -56.9911 40.0448 17.5993 38.2934 23.7499 -57.424 18.6325 -58.2416 53.804 TIMING: 3886600 CPU: 11294.6, 0.00291144/step Wall: 11294.6, 0.00291143/step, 0.900442 hours remaining, 206.277344 MB of memory in use. ENERGY: 3886600 747.9837 2154.9118 1945.3218 107.7345 -206158.0621 17773.8652 0.0000 0.0000 34354.0100 -149074.2351 300.0221 -183428.2451 -148979.1843 299.3558 -80.3738 -46.0200 557502.4774 6.7995 6.8543 PRESSURE: 3886800 -72.4187 31.3532 1.71481 31.3534 1.65098 -199.809 1.71462 -199.809 -51.494 GPRESSURE: 3886800 -82.1935 33.5295 2.45236 -28.4579 67.5407 -246.974 78.7 -129.717 -2.63128 PRESSAVG: 3886800 -16.5049 -39.2535 -1.94536 -39.2534 -53.73 -57.5825 -1.94543 -57.5826 66.342 GPRESSAVG: 3886800 -16.0995 -38.7517 -1.62426 -38.2509 -53.3446 -57.2396 -1.04834 -55.6575 65.7474 TIMING: 3886800 CPU: 11295.2, 0.00290198/step Wall: 11295.2, 0.00290198/step, 0.897357 hours remaining, 206.277344 MB of memory in use. ENERGY: 3886800 756.7864 2053.5811 1934.7543 115.0864 -206159.4708 17863.3961 0.0000 0.0000 34413.4520 -149022.4143 300.5412 -183435.8663 -148926.5476 299.8003 -40.7539 -5.7614 558166.3227 -1.2976 -1.2322 PRESSURE: 3887000 222.392 185.387 -63.3442 185.388 147.135 -66.0262 -63.3447 -66.0273 56.5359 GPRESSURE: 3887000 186.808 98.69 -80.1628 283.257 185.12 -79.3141 -10.3897 -73.9254 142.655 PRESSAVG: 3887000 -18.1954 11.7793 26.8287 11.7792 11.0259 -40.4208 26.8287 -40.4208 -30.5144 GPRESSAVG: 3887000 -18.0692 11.3483 25.8093 11.106 10.6321 -41.5458 28.651 -41.2721 -29.8327 TIMING: 3887000 CPU: 11295.7, 0.002895/step Wall: 11295.7, 0.002895/step, 0.895036 hours remaining, 206.277344 MB of memory in use. ENERGY: 3887000 725.1991 2117.2528 1934.8217 108.6495 -206058.2170 17783.6338 0.0000 0.0000 34344.6723 -149043.9878 299.9406 -183388.6601 -148942.8167 299.6426 142.0212 171.5276 555640.0454 -12.5613 -12.4233 PRESSURE: 3887200 -137.604 -189.759 -16.123 -189.759 -135.149 26.24 -16.1229 26.2395 -125.537 GPRESSURE: 3887200 -42.6378 -153.963 -61.7144 -197.305 -97.1742 -30.1548 5.8192 57.0821 -147.851 PRESSAVG: 3887200 42.1729 2.94326 30.6343 2.94323 -55.8876 -8.69492 30.6344 -8.69494 26.4184 GPRESSAVG: 3887200 41.8926 1.35229 30.5451 3.33521 -54.4588 -10.6323 29.6733 -6.43207 25.4098 TIMING: 3887200 CPU: 11296.3, 0.00290727/step Wall: 11296.3, 0.00290727/step, 0.898669 hours remaining, 206.277344 MB of memory in use. ENERGY: 3887200 751.9815 2183.1830 1974.8227 102.6970 -205955.7357 17572.7467 0.0000 0.0000 34297.7177 -149072.5870 299.5305 -183370.3047 -148979.1347 300.0070 -132.7634 -95.8877 557024.8268 4.2346 4.2812 PRESSURE: 3887400 171.867 1.33274 -22.4999 1.3348 14.9531 139.733 -22.4997 139.734 -5.42537 GPRESSURE: 3887400 205.757 -39.8906 -7.02086 55.1532 54.0039 154.229 -46.5069 78.7869 26.464 PRESSAVG: 3887400 9.05263 8.87803 -5.11386 8.87807 -22.7871 -26.0554 -5.11403 -26.0555 -20.4431 GPRESSAVG: 3887400 8.66791 7.70806 -3.63917 10.375 -23.6708 -25.5361 -6.82275 -25.6735 -18.8158 TIMING: 3887400 CPU: 11296.9, 0.00290494/step Wall: 11296.9, 0.00290494/step, 0.897789 hours remaining, 206.277344 MB of memory in use. ENERGY: 3887400 733.4740 2119.0812 1980.2567 109.4702 -206253.7428 17923.7064 0.0000 0.0000 34197.6415 -149190.1128 298.6565 -183387.7543 -149099.3149 298.9635 60.4649 95.4084 557168.7903 -11.3925 -11.2729 PRESSURE: 3887600 231.715 -25.3276 96.2956 -25.3269 -178.192 11.9627 96.2956 11.9613 61.854 GPRESSURE: 3887600 264.388 -54.8089 18.1118 -0.709509 -102.222 -36.0867 155.921 7.31401 48.8806 PRESSAVG: 3887600 57.4411 17.3101 -19.9195 17.3101 -31.6675 40.0181 -19.9195 40.018 9.88208 GPRESSAVG: 3887600 57.1859 20.9538 -21.6929 15.1957 -31.4528 42.8982 -16.9761 37.8403 10.0728 TIMING: 3887600 CPU: 11297.5, 0.00290559/step Wall: 11297.5, 0.00290559/step, 0.897826 hours remaining, 206.277344 MB of memory in use. ENERGY: 3887600 767.0704 2081.4210 1953.9417 119.0576 -206330.6051 17977.7086 0.0000 0.0000 34277.8294 -149153.5765 299.3568 -183431.4059 -149056.1488 298.9413 38.4589 70.3487 556898.9775 11.8852 11.9353 PRESSURE: 3887800 -58.6268 -99.3031 81.5549 -99.302 87.5551 -95.3376 81.5551 -95.3381 -115.293 GPRESSURE: 3887800 -8.5242 -30.9608 142.525 -129.223 106.656 -103.376 48.4941 -59.6485 -103.23 PRESSAVG: 3887800 40.5597 -38.2174 22.7493 -38.2174 -28.7985 37.6404 22.7494 37.6404 -4.49102 GPRESSAVG: 3887800 40.1766 -38.3034 23.6727 -37.7046 -29.0664 34.3826 21.9534 37.761 -4.41368 TIMING: 3887800 CPU: 11298.1, 0.00290168/step Wall: 11298.1, 0.00290168/step, 0.896459 hours remaining, 206.277344 MB of memory in use. ENERGY: 3887800 736.6233 2149.1370 1967.6801 99.9395 -206093.2385 17812.9384 0.0000 0.0000 34190.3904 -149136.5299 298.5932 -183326.9204 -149044.9139 299.1571 -28.7884 -1.6992 558262.1352 2.4234 2.2321 PRESSURE: 3888000 -36.9183 26.3762 -84.7249 26.3768 -143.468 23.0584 -84.7261 23.0578 45.5614 GPRESSURE: 3888000 17.6573 -27.8033 2.59286 103.268 -145.959 53.7909 -60.4747 36.6584 89.9188 PRESSAVG: 3888000 41.9327 -5.5303 -47.3043 -5.53032 -11.2691 -21.9494 -47.3042 -21.9495 15.7973 GPRESSAVG: 3888000 41.698 -6.08596 -46.2461 -5.02004 -11.2771 -17.876 -47.7729 -23.3084 15.6877 TIMING: 3888000 CPU: 11298.6, 0.00289706/step Wall: 11298.6, 0.00289706/step, 0.89487 hours remaining, 206.277344 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: 3888000 778.0441 2118.2275 1969.0679 127.6852 -205984.7743 17851.7858 0.0000 0.0000 34304.7097 -148835.2540 299.5916 -183139.9637 -148745.4372 299.3678 -44.9415 -12.7942 558046.8100 15.4869 15.3695 PRESSURE: 3888200 -222.602 -258.926 37.0569 -258.926 -202.612 40.4922 37.0575 40.4932 -230.654 GPRESSURE: 3888200 -195.199 -352.513 89.355 -204.144 -124.334 -48.6449 9.65602 91.0058 -235.539 PRESSAVG: 3888200 7.87122 -15.4672 54.8601 -15.4672 -0.830323 -9.70068 54.8603 -9.70056 44.7687 GPRESSAVG: 3888200 8.99762 -15.5175 53.9457 -16.1063 -0.76925 -10.295 54.6833 -7.63223 43.8844 TIMING: 3888200 CPU: 11299.2, 0.00290855/step Wall: 11299.2, 0.00290855/step, 0.898257 hours remaining, 206.277344 MB of memory in use. ENERGY: 3888200 763.5351 2101.9061 1951.7114 96.8570 -205641.9294 17487.0496 0.0000 0.0000 34549.5068 -148691.3634 301.7294 -183240.8702 -148597.2022 300.4218 -218.6225 -185.0241 557889.8273 17.2699 17.3709 LDB: ============= START OF LOAD BALANCING ============== 11302.7 LDB: ============== END OF LOAD BALANCING =============== 11302.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11302.7 LDB: ============= START OF LOAD BALANCING ============== 11303 LDB: Largest compute 4847 load 0.028791 is 24.4% of average load 0.117767 LDB: Average compute 0.001739 is 1.5% of average load 0.117767 LDB: TIME 11303 LOAD: AVG 0.117767 MAX 0.18158 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11303 LOAD: AVG 0.117767 MAX 0.18158 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 11303 LOAD: AVG 0.117767 MAX 0.18158 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: ============== END OF LOAD BALANCING =============== 11303 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11303 PRESSURE: 3888400 -73.3868 -0.547661 -89.3298 -0.546895 142.348 15.1431 -89.3303 15.1423 -62.7629 GPRESSURE: 3888400 -54.3742 -14.2966 -68.4771 26.9521 162.109 -89.4331 -146.834 90.1771 -7.55672 PRESSAVG: 3888400 -40.9416 -21.3424 16.8759 -21.3425 12.1145 19.5339 16.8759 19.534 42.6626 GPRESSAVG: 3888400 -41.5543 -20.0721 17.2627 -22.9816 13.1943 18.1853 15.9937 19.0219 42.1218 TIMING: 3888400 CPU: 11299.8, 0.00297639/step Wall: 11299.8, 0.00297639/step, 0.919044 hours remaining, 207.179688 MB of memory in use. ENERGY: 3888400 726.4518 2215.2627 1966.0246 113.9490 -205956.7442 17733.0205 0.0000 0.0000 34491.4909 -148710.5448 301.2228 -183202.0357 -148612.9678 301.1442 2.0660 33.3927 557684.9438 4.6119 4.5873 PRESSURE: 3888600 29.5068 -15.6325 -128.793 -15.6336 -57.3564 70.1355 -128.792 70.1345 -19.3953 GPRESSURE: 3888600 108.178 -56.14 -106.157 -32.0379 -38.184 68.4793 -112.409 83.9225 -14.8888 PRESSAVG: 3888600 -38.5357 17.5185 -48.5046 17.5186 -10.1706 21.955 -48.5046 21.9549 33.2964 GPRESSAVG: 3888600 -36.8803 17.023 -50.3546 18.5114 -12.3838 22.0345 -45.9307 21.6719 33.9779 TIMING: 3888600 CPU: 11300.4, 0.00288911/step Wall: 11300.4, 0.00288911/step, 0.891932 hours remaining, 207.558594 MB of memory in use. ENERGY: 3888600 768.6121 2112.4931 1971.2357 98.5243 -205905.4890 17838.0104 0.0000 0.0000 34077.1735 -149039.4401 297.6044 -183116.6135 -148945.6949 300.4489 -15.7483 18.3685 556351.7814 -5.1366 -5.0954 PRESSURE: 3888800 -330.318 0.575107 1.24302 0.576257 6.95529 28.2363 1.24323 28.2378 24.7546 GPRESSURE: 3888800 -239.337 -3.99118 67.948 13.6902 2.78966 -25.8492 31.3441 -65.9024 52.5673 PRESSAVG: 3888800 -135.117 -1.4843 -45.227 -1.48423 -28.0891 7.5419 -45.2271 7.54194 116.003 GPRESSAVG: 3888800 -136.706 -2.03784 -45.3666 -2.86038 -25.9714 6.76461 -46.1066 7.30609 115.843 TIMING: 3888800 CPU: 11301, 0.00291292/step Wall: 11301, 0.00291292/step, 0.89912 hours remaining, 207.558594 MB of memory in use. ENERGY: 3888800 748.3457 2101.5093 1975.7649 116.2711 -206186.9091 17814.5632 0.0000 0.0000 34399.1469 -149031.3081 300.4163 -183430.4549 -148938.9782 300.3212 -99.5362 -61.3266 558603.2242 -15.7342 -15.6114 PRESSURE: 3889000 239.341 10.4569 142.657 10.4579 20.3976 -28.9085 142.656 -28.9079 119.694 GPRESSURE: 3889000 235.267 34.825 113.688 104.397 63.0971 -108.651 104.483 -33.0129 174.12 PRESSAVG: 3889000 -9.79274 23.5707 -15.2263 23.5707 -9.1139 -20.3241 -15.2262 -20.324 53.9619 GPRESSAVG: 3889000 -9.43338 23.4183 -13.7497 24.8027 -9.55708 -21.2762 -17.5952 -20.668 53.9489 TIMING: 3889000 CPU: 11301.6, 0.0028861/step Wall: 11301.6, 0.0028861/step, 0.890681 hours remaining, 207.558594 MB of memory in use. ENERGY: 3889000 725.9909 2144.7403 1966.8985 105.0404 -206270.1119 17964.7301 0.0000 0.0000 34300.4536 -149062.2581 299.5544 -183362.7117 -148974.8142 299.4223 126.4777 157.4947 558279.2278 11.6851 11.6528 PRESSURE: 3889200 -159.004 77.9197 -84.714 77.9196 -322.908 176.601 -84.7131 176.602 -99.0991 GPRESSURE: 3889200 -129.837 112.402 -66.4638 49.415 -280.118 227.173 -69.0315 173.64 -70.309 PRESSAVG: 3889200 -29.6997 -49.3341 -2.1999 -49.3341 -41.6028 30.7671 -2.19994 30.7672 8.77417 GPRESSAVG: 3889200 -29.5759 -50.2718 -1.83206 -49.3802 -42.1609 31.235 -2.44862 32.7147 9.15181 TIMING: 3889200 CPU: 11302.1, 0.00293372/step Wall: 11302.1, 0.00293372/step, 0.905216 hours remaining, 207.558594 MB of memory in use. ENERGY: 3889200 736.3319 2127.0953 1980.2767 111.6262 -205894.3207 17614.3609 0.0000 0.0000 34221.1008 -149103.5289 298.8614 -183324.6298 -149003.0994 299.5728 -193.6707 -160.0878 559048.7513 -20.8428 -20.8617 PRESSURE: 3889400 -378.423 -23.6788 -126.23 -23.6776 -110.619 104.357 -126.23 104.356 -262.043 GPRESSURE: 3889400 -297.45 -44.3192 -46.7889 -12.272 -125.152 112.032 -123.065 100.345 -238.416 PRESSAVG: 3889400 -13.8038 -39.0638 -18.0466 -39.0638 16.4039 57.1872 -18.0465 57.1872 5.11948 GPRESSAVG: 3889400 -13.3322 -38.8896 -15.9271 -39.9474 17.1356 57.3618 -18.4579 54.8371 4.02265 TIMING: 3889400 CPU: 11302.7, 0.00293171/step Wall: 11302.7, 0.00293171/step, 0.904432 hours remaining, 207.558594 MB of memory in use. ENERGY: 3889400 780.7039 2089.2333 1978.5910 106.7053 -205719.5104 17540.9870 0.0000 0.0000 34160.7608 -149062.5292 298.3344 -183223.2900 -148961.5129 299.4596 -250.3616 -220.3390 558945.1492 2.5732 2.6087 PRESSURE: 3889600 93.1702 -223.301 -123.39 -223.3 -124.975 143.925 -123.39 143.924 217.83 GPRESSURE: 3889600 85.8833 -181.915 -112.882 -338.296 -53.9699 185.602 -193.93 194.065 259.636 PRESSAVG: 3889600 -62.7729 -20.749 -37.077 -20.7489 55.6816 64.0614 -37.0769 64.0613 39.8364 GPRESSAVG: 3889600 -62.8721 -20.194 -39.0822 -20.4581 55.6203 65.9197 -36.1052 64.6964 39.9061 TIMING: 3889600 CPU: 11303.3, 0.00293929/step Wall: 11303.3, 0.0029393/step, 0.906609 hours remaining, 207.761719 MB of memory in use. ENERGY: 3889600 738.5952 2131.3524 1974.2319 104.9683 -206080.3367 17765.7749 0.0000 0.0000 34309.4867 -149055.9273 299.6333 -183365.4140 -148954.2471 299.3866 62.0086 97.1832 557284.1548 10.9150 10.8848 PRESSURE: 3889800 -417.493 132.255 -113.898 132.255 -21.3033 -18.9367 -113.898 -18.9371 84.4572 GPRESSURE: 3889800 -381.315 162.806 -67.9011 70.1117 21.6171 -8.73995 -103.475 56.4005 96.7833 PRESSAVG: 3889800 0.374587 6.59139 -57.5749 6.59136 -20.3407 29.0419 -57.5749 29.0417 -3.82535 GPRESSAVG: 3889800 0.51749 7.03211 -56.5152 8.37195 -20.9136 26.8638 -58.0722 29.838 -3.44676 TIMING: 3889800 CPU: 11303.9, 0.00292623/step Wall: 11303.9, 0.00292623/step, 0.902416 hours remaining, 207.761719 MB of memory in use. ENERGY: 3889800 780.1510 2150.6765 1994.1079 111.7677 -205902.7691 17652.8582 0.0000 0.0000 34230.0321 -148983.1757 298.9394 -183213.2078 -148890.3441 299.3168 -118.1130 -87.6381 557106.9901 -7.9305 -7.9476 PRESSURE: 3890000 -113.384 15.8998 -23.0663 15.901 -360.812 -0.231042 -23.0661 -0.231344 24.3982 GPRESSURE: 3890000 -123.916 37.3261 -52.7079 -34.1971 -282.099 -8.59107 -8.10038 12.2446 52.9258 PRESSAVG: 3890000 -23.3827 17.3677 10.6032 17.3676 65.3525 -10.4399 10.6033 -10.44 -18.5664 GPRESSAVG: 3890000 -24.4055 17.6169 8.3551 16.2818 65.9566 -9.57634 13.1085 -9.84836 -18.1403 TIMING: 3890000 CPU: 11304.5, 0.00293718/step Wall: 11304.5, 0.00293718/step, 0.905631 hours remaining, 207.761719 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: 3890000 751.6824 2124.3508 1951.3752 111.7903 -206052.4022 17701.8540 0.0000 0.0000 34313.1807 -149098.1688 299.6655 -183411.3495 -148999.0685 299.5832 -149.9324 -117.6966 557429.3262 7.8011 7.8036 PRESSURE: 3890200 229.546 -75.0055 226.421 -75.0073 -115.828 46.8508 226.421 46.8504 79.0865 GPRESSURE: 3890200 221.454 -45.7483 226.209 -50.5979 -39.471 -25.1037 164.206 13.1502 94.8205 PRESSAVG: 3890200 40.1637 -16.1891 65.7349 -16.1892 -40.4108 -13.5918 65.7349 -13.5918 -45.7982 GPRESSAVG: 3890200 40.2763 -18.3649 65.4183 -13.7949 -39.1215 -14.0269 64.5954 -14.0555 -46.7527 TIMING: 3890200 CPU: 11305.1, 0.00293287/step Wall: 11305.1, 0.00293287/step, 0.90414 hours remaining, 207.761719 MB of memory in use. ENERGY: 3890200 748.6608 2119.1431 1960.8445 99.3022 -206175.0766 17835.1602 0.0000 0.0000 34264.9198 -149147.0461 299.2441 -183411.9659 -149052.7234 299.2230 64.2684 92.2677 556503.2337 -15.3484 -15.1993 PRESSURE: 3890400 -61.3286 -145.541 -106.939 -145.54 -124.262 63.8002 -106.939 63.7985 -336.424 GPRESSURE: 3890400 -48.6568 -220.445 -85.233 -139.193 -77.6152 111.683 -64.2385 109.713 -302.255 PRESSAVG: 3890400 59.9507 10.3546 -7.23495 10.3547 14.9088 12.2258 -7.23498 12.2259 -47.8023 GPRESSAVG: 3890400 60.0574 11.9061 -4.40469 9.06037 11.9967 12.6957 -10.5299 13.6635 -45.439 TIMING: 3890400 CPU: 11305.7, 0.00292123/step Wall: 11305.7, 0.00292123/step, 0.900387 hours remaining, 207.761719 MB of memory in use. ENERGY: 3890400 761.3665 2097.9722 1959.0529 108.8403 -205989.3224 17691.8788 0.0000 0.0000 34344.0024 -149026.2093 299.9347 -183370.2117 -148928.4263 299.7981 -174.0047 -142.8424 559519.5949 9.0191 8.8717 PRESSURE: 3890600 142.446 -7.84405 -123.216 -7.84299 39.0914 223.077 -123.218 223.076 273.564 GPRESSURE: 3890600 206.294 -60.255 -45.6631 39.5204 103.965 231.9 -80.7555 250.65 246.868 PRESSAVG: 3890600 54.6502 10.0226 28.2268 10.0226 -20.7039 72.9363 28.2267 72.9363 -33.7165 GPRESSAVG: 3890600 53.9898 11.1961 27.2473 9.52103 -17.9895 73.1862 30.7391 72.0563 -35.7156 TIMING: 3890600 CPU: 11306.2, 0.00292513/step Wall: 11306.2, 0.00292513/step, 0.901427 hours remaining, 207.761719 MB of memory in use. ENERGY: 3890600 742.1911 2131.4616 1971.9863 119.4109 -206161.5262 17866.8241 0.0000 0.0000 34358.6037 -148971.0485 300.0622 -183329.6522 -148874.8630 299.7531 151.7006 185.7092 557382.1926 0.0766 0.0949 PRESSURE: 3890800 148.645 63.9003 96.4612 63.9016 126.151 142.984 96.4612 142.984 19.9321 GPRESSURE: 3890800 195.49 130.098 52.3659 -22.9069 161.312 133.936 54.1916 105.353 30.3752 PRESSAVG: 3890800 27.7071 50.9965 0.432534 50.9965 39.145 12.4139 0.432527 12.414 -36.296 GPRESSAVG: 3890800 29.149 49.2138 1.79757 51.4949 37.7226 12.7275 0.311528 10.8502 -36.1591 TIMING: 3890800 CPU: 11306.8, 0.00292738/step Wall: 11306.8, 0.00292738/step, 0.901958 hours remaining, 207.761719 MB of memory in use. ENERGY: 3890800 713.8996 2115.3226 1925.7182 107.9550 -206033.3823 17839.4444 0.0000 0.0000 34200.5229 -149130.5195 298.6817 -183331.0425 -149036.4052 299.5847 98.2428 129.0589 557408.6233 10.1854 10.2375 PRESSURE: 3891000 -73.6172 -60.4888 44.9606 -60.4883 -164.215 112.95 44.961 112.949 -241.182 GPRESSURE: 3891000 -47.1604 -129.147 46.8925 -19.1851 -179.612 212.315 58.6808 19.9786 -156.832 PRESSAVG: 3891000 6.49607 3.34443 0.413214 3.34456 -24.1433 47.4246 0.413208 47.4246 -13.6637 GPRESSAVG: 3891000 5.78164 2.55298 -1.47399 2.5677 -22.873 47.0232 -0.071228 47.1029 -14.0567 TIMING: 3891000 CPU: 11307.4, 0.00292337/step Wall: 11307.4, 0.00292337/step, 0.900562 hours remaining, 207.761719 MB of memory in use. ENERGY: 3891000 732.3005 2104.2956 1952.1648 108.1689 -206017.7171 17694.9741 0.0000 0.0000 34198.9775 -149226.8358 298.6682 -183425.8133 -149128.4520 299.2727 -159.6717 -127.8681 557722.8588 -10.4370 -10.3827 PRESSURE: 3891200 243.975 60.8993 108.862 60.8987 -70.7379 152.329 108.862 152.33 -10.2467 GPRESSURE: 3891200 309.447 78.6666 -53.3108 -39.1921 -33.7575 207.784 167.474 89.5357 -8.4362 PRESSAVG: 3891200 0.786712 -62.4113 -11.4066 -62.4112 6.72464 63.4243 -11.4066 63.4242 -37.3685 GPRESSAVG: 3891200 0.764554 -61.8845 -11.4228 -61.7123 5.4455 63.1433 -12.5706 63.1217 -36.7092 TIMING: 3891200 CPU: 11308, 0.00292493/step Wall: 11308, 0.00292493/step, 0.900878 hours remaining, 207.761719 MB of memory in use. ENERGY: 3891200 741.1634 2116.6908 1929.7982 122.9660 -206289.8322 18005.3604 0.0000 0.0000 34160.8387 -149213.0147 298.3351 -183373.8534 -149122.0337 299.3744 54.3303 89.0844 557780.9203 -9.9524 -10.1664 PRESSURE: 3891400 7.31421 45.4064 -94.6128 45.4053 300.225 124.912 -94.6115 124.913 156.856 GPRESSURE: 3891400 46.313 -4.64162 -51.0806 100.888 286.725 142.219 -174.69 -15.2294 246.685 PRESSAVG: 3891400 -17.5166 -35.3947 25.0992 -35.3947 3.02537 15.6385 25.0992 15.6385 26.5129 GPRESSAVG: 3891400 -16.6345 -35.6825 26.3083 -35.0728 3.5693 15.4545 27.5886 14.3493 26.1641 TIMING: 3891400 CPU: 11308.6, 0.00291749/step Wall: 11308.6, 0.00291749/step, 0.898426 hours remaining, 207.761719 MB of memory in use. ENERGY: 3891400 708.6487 2095.3786 1987.7402 128.9714 -206051.5397 17929.2923 0.0000 0.0000 34172.0379 -149029.4707 298.4329 -183201.5086 -148940.8468 299.4975 154.7983 193.2410 557073.0263 4.0072 4.3663 PRESSURE: 3891600 -231.212 -98.8749 1.26341 -98.8745 120.729 263.492 1.26313 263.492 -75.9809 GPRESSURE: 3891600 -207.574 -83.7581 27.807 4.97842 153.289 276.828 28.8282 306.605 -40.3237 PRESSAVG: 3891600 28.6616 41.1211 -16.151 41.1211 20.2636 7.57701 -16.1511 7.57706 -28.3564 GPRESSAVG: 3891600 27.7306 41.5893 -16.5809 42.1597 20.7787 6.54289 -17.071 11.4393 -27.9448 TIMING: 3891600 CPU: 11309.2, 0.00291848/step Wall: 11309.2, 0.00291848/step, 0.898568 hours remaining, 207.761719 MB of memory in use. ENERGY: 3891600 783.7470 2138.8641 1978.3645 112.8107 -206146.1965 17837.1960 0.0000 0.0000 34246.4104 -149048.8038 299.0824 -183295.2142 -148951.6640 299.1469 -62.1547 -31.5364 558216.8582 6.8563 6.8548 PRESSURE: 3891800 -374.798 -40.6392 -152.65 -40.6393 -274.896 93.7818 -152.65 93.7827 -202.779 GPRESSURE: 3891800 -400.59 -66.4962 -152.667 -58.0427 -231.729 175.797 -16.5243 94.2469 -115.82 PRESSAVG: 3891800 41.5762 -0.456569 -29.8966 -0.456464 -45.2671 43.5711 -29.8966 43.571 -29.3531 GPRESSAVG: 3891800 41.4478 -0.64366 -31.5924 -0.988443 -44.1539 44.5678 -28.7756 42.6136 -30.1729 TIMING: 3891800 CPU: 11309.7, 0.00289976/step Wall: 11309.7, 0.00289976/step, 0.892643 hours remaining, 207.761719 MB of memory in use. ENERGY: 3891800 751.2568 2015.7280 1964.8535 111.0638 -205694.0482 17460.7969 0.0000 0.0000 34355.3987 -149034.9505 300.0342 -183390.3491 -148937.9237 299.6658 -284.1578 -249.3798 558843.5572 -11.0147 -10.9597 PRESSURE: 3892000 210.072 18.772 94.1674 18.7715 -193.792 -16.1301 94.1679 -16.1295 7.00823 GPRESSURE: 3892000 207.69 13.2681 16.308 33.1533 -120.387 7.76155 89.9754 -18.0189 39.0129 PRESSAVG: 3892000 9.07419 -23.0811 -2.80236 -23.081 -5.29166 -14.7654 -2.80245 -14.7653 -3.56955 GPRESSAVG: 3892000 9.35485 -24.363 -3.22216 -23.1682 -5.98866 -14.4362 -4.93966 -16.2974 -3.04442 TIMING: 3892000 CPU: 11310.3, 0.00292289/step Wall: 11310.3, 0.00292289/step, 0.899602 hours remaining, 207.761719 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: 3892000 741.5246 2034.5152 1967.7105 128.6996 -206026.3756 17910.5727 0.0000 0.0000 34225.2656 -149018.0874 298.8978 -183243.3530 -148918.1783 299.7085 7.7628 42.1054 558491.5236 0.0710 0.1073 PRESSURE: 3892200 29.9632 11.6962 -64.0319 11.6973 -76.7564 2.55473 -64.0313 2.55403 -15.5634 GPRESSURE: 3892200 55.9658 -36.7733 -88.9828 15.5178 -27.4806 54.0663 -99.0716 -35.0448 -2.41849 PRESSAVG: 3892200 -14.8737 4.65693 -45.4617 4.65697 65.1004 26.9054 -45.4616 26.9054 -60.0978 GPRESSAVG: 3892200 -13.3183 7.67841 -43.8324 3.84432 64.785 25.9469 -44.0442 28.3806 -60.8329 TIMING: 3892200 CPU: 11310.9, 0.00293867/step Wall: 11310.9, 0.00293867/step, 0.904295 hours remaining, 207.761719 MB of memory in use. ENERGY: 3892200 785.9712 2017.1378 1975.8548 114.4528 -206339.0425 17766.8637 0.0000 0.0000 34574.2690 -149104.4932 301.9457 -183678.7622 -149009.0850 299.9062 -20.7856 8.6889 556746.2454 -3.2904 -3.1221 LDB: ============= START OF LOAD BALANCING ============== 11314.4 LDB: ============== END OF LOAD BALANCING =============== 11314.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11314.4 LDB: ============= START OF LOAD BALANCING ============== 11314.7 LDB: Largest compute 4848 load 0.028612 is 24.3% of average load 0.117833 LDB: Average compute 0.001740 is 1.5% of average load 0.117833 LDB: TIME 11314.7 LOAD: AVG 0.117833 MAX 0.181005 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.363 MB LDB: TIME 11314.7 LOAD: AVG 0.117833 MAX 0.181005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: TIME 11314.7 LOAD: AVG 0.117833 MAX 0.181005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.426 MB LDB: ============== END OF LOAD BALANCING =============== 11314.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11314.7 PRESSURE: 3892400 -51.752 48.2555 -53.4118 48.2564 -174.368 -46.0667 -53.4113 -46.0665 58.9895 GPRESSURE: 3892400 -32.918 63.0567 -60.5669 -1.5832 -96.2177 74.8211 -56.7004 -117.855 70.7825 PRESSAVG: 3892400 8.05874 29.8485 -40.3996 29.8485 56.6111 1.04199 -40.3997 1.04191 -26.5079 GPRESSAVG: 3892400 6.95376 28.3385 -39.2253 31.1137 56.511 2.74572 -41.1473 -0.565337 -25.284 TIMING: 3892400 CPU: 11311.5, 0.0029963/step Wall: 11311.5, 0.0029963/step, 0.921861 hours remaining, 206.585938 MB of memory in use. ENERGY: 3892400 764.5250 2077.4359 1937.4975 97.0156 -206098.5245 17853.2194 0.0000 0.0000 34137.1962 -149231.6349 298.1286 -183368.8311 -149131.6394 299.7052 -55.7103 -19.4511 558596.0072 12.7206 12.7269 PRESSURE: 3892600 173.215 17.6251 -32.2382 17.6249 37.2676 -30.2665 -32.2387 -30.2662 138.023 GPRESSURE: 3892600 173.443 55.0787 -7.20927 33.3433 78.8622 -93.9854 -54.9848 24.5393 200.816 PRESSAVG: 3892600 3.47172 11.7776 -5.74109 11.7777 1.98871 -0.89505 -5.74109 -0.895043 21.0569 GPRESSAVG: 3892600 4.4882 11.8383 -6.80761 10.5265 2.231 -1.4615 -6.66703 -0.444531 20.1034 TIMING: 3892600 CPU: 11312.1, 0.00291307/step Wall: 11312.1, 0.00291307/step, 0.896093 hours remaining, 206.789062 MB of memory in use. ENERGY: 3892600 723.6417 2139.3028 1948.5857 119.9018 -206309.8524 17996.5815 0.0000 0.0000 34039.2762 -149342.5626 297.2735 -183381.8388 -149252.1718 298.7581 116.1685 151.0402 556568.4236 8.8391 8.9409 PRESSURE: 3892800 141.783 105.016 -39.9955 105.018 -150.833 145.607 -39.996 145.607 109.194 GPRESSURE: 3892800 135.871 159.858 -66.8208 4.41624 -69.7595 217.359 51.6886 108.652 129.359 PRESSAVG: 3892800 90.2631 0.838852 38.6532 0.838891 28.9012 -4.43857 38.6533 -4.43856 -99.3632 GPRESSAVG: 3892800 88.3112 1.81555 38.5768 -0.814563 29.2912 -5.93217 39.3623 -3.56361 -97.431 TIMING: 3892800 CPU: 11312.7, 0.0028938/step Wall: 11312.7, 0.0028938/step, 0.890005 hours remaining, 206.789062 MB of memory in use. ENERGY: 3892800 750.9579 2110.8465 1926.1787 125.5185 -206327.4548 17960.3074 0.0000 0.0000 34156.1688 -149297.4770 298.2943 -183453.6458 -149203.6127 298.8976 33.3812 65.1569 557724.9891 6.6004 6.7238 PRESSURE: 3893000 -110.145 -36.3499 -96.425 -36.3499 275.604 -110.48 -96.4252 -110.479 -281.793 GPRESSURE: 3893000 -114.194 -75.833 -109.471 -97.3608 291.189 -125.209 -84.8398 -131.037 -187.946 PRESSAVG: 3893000 46.5486 34.5405 36.9948 34.5405 49.775 -0.766388 36.9948 -0.766287 -51.7003 GPRESSAVG: 3893000 47.9357 33.5365 36.3651 36.9204 49.8825 0.23441 37.0306 -0.757339 -52.7034 TIMING: 3893000 CPU: 11313.3, 0.00288556/step Wall: 11313.3, 0.00288556/step, 0.88731 hours remaining, 206.789062 MB of memory in use. ENERGY: 3893000 777.8223 2122.7954 1917.8359 125.1975 -206141.3113 17805.2502 0.0000 0.0000 34012.9098 -149379.5003 297.0432 -183392.4101 -149284.5898 298.1424 -38.7780 -3.6505 558086.0230 14.8744 15.0383 PRESSURE: 3893200 -40.5742 -57.6814 -95.2936 -57.6814 -25.3807 88.305 -95.294 88.3045 103.176 GPRESSURE: 3893200 11.3677 -169.885 -86.4586 73.7706 -35.0721 81.3565 -143.442 162.403 151.321 PRESSAVG: 3893200 51.888 -5.83568 -10.4821 -5.83557 -25.8224 -6.07932 -10.4821 -6.07939 -50.1063 GPRESSAVG: 3893200 50.4774 -6.82759 -9.71125 -5.24976 -24.9087 -5.43258 -10.7068 -8.23444 -50.4453 TIMING: 3893200 CPU: 11313.8, 0.00290686/step Wall: 11313.8, 0.00290686/step, 0.893697 hours remaining, 206.789062 MB of memory in use. ENERGY: 3893200 750.2364 2092.0078 1934.2214 116.7664 -206529.6159 17946.3479 0.0000 0.0000 34283.6838 -149406.3522 299.4079 -183690.0360 -149311.8720 298.1963 12.4071 42.5390 557201.3605 -8.0136 -8.2922 PRESSURE: 3893400 -233.846 220.537 146.285 220.537 -39.4322 -110.669 146.286 -110.669 -98.0011 GPRESSURE: 3893400 -224.009 188.922 20.564 202.753 -0.324219 -129.774 133.811 -73.1134 -50.8035 PRESSAVG: 3893400 37.6279 40.7263 3.77989 40.7263 -52.0466 6.42745 3.77997 6.42751 2.52846 GPRESSAVG: 3893400 38.2157 41.9765 3.25925 39.3654 -53.03 6.89614 3.4867 8.31339 3.18093 TIMING: 3893400 CPU: 11314.4, 0.0029276/step Wall: 11314.4, 0.0029276/step, 0.899911 hours remaining, 206.789062 MB of memory in use. ENERGY: 3893400 762.0392 2085.2847 1910.9706 111.8681 -206449.4568 17880.1820 0.0000 0.0000 34318.1187 -149380.9935 299.7087 -183699.1122 -149280.2043 298.8651 -123.7597 -91.7122 557965.8294 -3.9634 -3.8778 PRESSURE: 3893600 -263.179 -47.7192 -91.1976 -47.7189 -201.823 77.5173 -91.198 77.5159 -40.2299 GPRESSURE: 3893600 -210.595 -60.5706 -28.9209 -102.479 -133.807 -13.3917 -66.4908 143.912 -60.9933 PRESSAVG: 3893600 64.8822 43.7732 34.0506 43.7734 -28.6363 -34.1819 34.0506 -34.1819 -14.2636 GPRESSAVG: 3893600 65.7747 42.4232 34.107 46.3474 -28.1404 -36.6991 34.3525 -31.6024 -15.8899 TIMING: 3893600 CPU: 11315, 0.0029265/step Wall: 11315, 0.0029265/step, 0.899411 hours remaining, 206.789062 MB of memory in use. ENERGY: 3893600 755.4725 2022.8585 1953.6903 109.3098 -205950.1484 17644.8391 0.0000 0.0000 34132.8803 -149331.0979 298.0909 -183463.9781 -149236.5332 298.4185 -168.4105 -135.1316 558007.4911 7.3274 7.2481 PRESSURE: 3893800 -130.124 -118.884 27.5928 -118.883 97.3028 -120.672 27.5914 -120.673 -382.94 GPRESSURE: 3893800 -137.435 -106.179 -16.5764 -43.3948 123.847 -127.385 57.6959 -128.234 -302.263 PRESSAVG: 3893800 11.8812 17.2973 11.7441 17.2973 -18.5287 32.2043 11.7441 32.2044 8.52116 GPRESSAVG: 3893800 11.2055 19.5318 10.1898 15.2796 -18.76 33.4853 12.0546 30.1449 9.25122 TIMING: 3893800 CPU: 11315.6, 0.00290259/step Wall: 11315.6, 0.00290259/step, 0.891901 hours remaining, 206.789062 MB of memory in use. ENERGY: 3893800 737.4784 2115.4529 1938.6677 111.1249 -206131.5013 17635.7036 0.0000 0.0000 34158.0937 -149434.9802 298.3111 -183593.0739 -149344.6711 298.4673 -138.5869 -105.2834 557890.9906 0.6245 0.5656 PRESSURE: 3894000 -125.194 1.70835 -89.816 1.70821 34.8879 160.509 -89.8153 160.51 45.009 GPRESSURE: 3894000 -70.0145 22.3715 -73.77 -28.0822 72.096 205.722 -103.598 147.546 34.4681 PRESSAVG: 3894000 -28.0095 71.1104 -49.5222 71.1105 -46.709 -6.39829 -49.5222 -6.39821 25.4452 GPRESSAVG: 3894000 -27.5239 69.1646 -48.7686 70.8928 -46.6031 -6.18119 -48.9608 -6.64489 25.271 TIMING: 3894000 CPU: 11316.2, 0.00290869/step Wall: 11316.2, 0.00290869/step, 0.893615 hours remaining, 206.789062 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: 3894000 738.1848 2129.4629 1932.2088 109.3434 -206134.9741 17752.6881 0.0000 0.0000 34089.6767 -149383.4094 297.7136 -183473.0861 -149289.5229 298.4267 -15.0990 12.1832 556598.2589 -16.4244 -16.2853 PRESSURE: 3894200 130.081 -71.2988 -211.563 -71.2996 246.083 -39.3994 -211.562 -39.4012 -277.166 GPRESSURE: 3894200 229.438 -53.8318 -217.961 -146.482 227.427 15.5409 -122.793 -100.242 -259.531 PRESSAVG: 3894200 123.265 37.7111 -31.6744 37.7113 -18.8886 63.723 -31.6743 63.7228 -58.2421 GPRESSAVG: 3894200 123.175 39.4214 -30.0003 39.2767 -19.2226 61.9631 -32.8617 64.532 -57.4874 TIMING: 3894200 CPU: 11316.7, 0.00290663/step Wall: 11316.7, 0.00290663/step, 0.892819 hours remaining, 206.789062 MB of memory in use. ENERGY: 3894200 754.0155 2097.5917 1949.9306 110.8177 -206703.9190 18165.7161 0.0000 0.0000 34242.4894 -149383.3579 299.0482 -183625.8473 -149299.7400 298.5950 32.9994 65.7780 556838.4254 15.3780 15.4883 PRESSURE: 3894400 163.72 -108.678 132.54 -108.678 -294.056 15.9196 132.539 15.9186 -297.564 GPRESSURE: 3894400 112.237 -134.194 121.282 -151.477 -215.187 -7.12581 63.4809 47.5377 -225.902 PRESSAVG: 3894400 -25.8783 26.3003 -48.8127 26.3002 23.6671 -37.9083 -48.8127 -37.9084 -25.354 GPRESSAVG: 3894400 -25.9753 26.1364 -48.8725 23.4172 23.4774 -34.9144 -48.9422 -39.9617 -25.4756 TIMING: 3894400 CPU: 11317.3, 0.00289678/step Wall: 11317.3, 0.00289678/step, 0.889632 hours remaining, 206.789062 MB of memory in use. ENERGY: 3894400 749.9640 2111.5731 1942.5030 123.3298 -206179.0811 17637.6987 0.0000 0.0000 34184.6636 -149429.3491 298.5432 -183614.0126 -149344.9100 298.9775 -142.6336 -109.6170 556369.1949 -9.1884 -9.3245 PRESSURE: 3894600 76.5978 99.003 12.6035 99.001 8.5429 -95.2307 12.6033 -95.2329 267.425 GPRESSURE: 3894600 85.5803 96.3724 55.5513 81.9242 62.8529 -88.4314 44.1822 -58.4536 310.564 PRESSAVG: 3894600 15.1854 58.8164 20.2338 58.8163 -6.32118 -24.6068 20.2338 -24.6069 -4.77854 GPRESSAVG: 3894600 15.5023 56.903 20.2399 61.0002 -5.57032 -27.3598 21.7268 -22.2147 -5.40537 TIMING: 3894600 CPU: 11317.9, 0.00292547/step Wall: 11317.9, 0.00292547/step, 0.898283 hours remaining, 206.789062 MB of memory in use. ENERGY: 3894600 751.4456 2093.6315 1979.1342 106.1622 -206498.7185 17879.4446 0.0000 0.0000 34242.3910 -149446.5093 299.0473 -183688.9003 -149349.2961 298.4834 117.5219 152.9991 555432.5505 1.3619 1.5089 PRESSURE: 3894800 -168.536 69.7715 59.1531 69.7727 71.8631 7.27956 59.1538 7.28217 72.4844 GPRESSURE: 3894800 -133.067 29.6331 74.8013 73.7297 102.334 -16.7232 56.5681 48.5791 100.186 PRESSAVG: 3894800 -16.2078 53.6183 -6.9824 53.6184 -22.8414 0.538168 -6.98239 0.538251 37.1413 GPRESSAVG: 3894800 -16.5769 55.0079 -5.95262 53.1345 -22.5331 0.195087 -10.0314 -0.503596 37.2271 TIMING: 3894800 CPU: 11318.5, 0.00290419/step Wall: 11318.5, 0.00290419/step, 0.891587 hours remaining, 206.789062 MB of memory in use. ENERGY: 3894800 750.0558 2134.5767 1977.3326 120.1999 -206576.2084 17945.9124 0.0000 0.0000 34186.3142 -149461.8168 298.5576 -183648.1310 -149359.1759 298.6479 -8.0628 23.1509 557356.9703 -0.6360 -0.6276 PRESSURE: 3895000 203.02 207.045 43.1906 207.044 188.876 63.876 43.1922 63.8772 286.12 GPRESSURE: 3895000 247.572 177.923 67.7158 228.118 229.723 55.4395 -17.1728 26.117 299.989 PRESSAVG: 3895000 -13.389 22.909 17.5348 22.909 21.6157 -30.5335 17.5347 -30.5334 3.83076 GPRESSAVG: 3895000 -11.8128 23.8945 16.5205 22.1223 20.2243 -29.1059 18.9514 -30.6556 3.81113 TIMING: 3895000 CPU: 11319.1, 0.00291388/step Wall: 11319.1, 0.00291388/step, 0.894399 hours remaining, 206.789062 MB of memory in use. ENERGY: 3895000 715.8560 2105.0447 1981.1219 122.7154 -206397.2960 18069.3297 0.0000 0.0000 33908.3106 -149494.9177 296.1297 -183403.2283 -149396.9915 298.3396 226.0054 259.0947 556726.3244 4.0192 4.0742 PRESSURE: 3895200 20.5746 33.1057 131.325 33.1032 97.8152 -46.8948 131.325 -46.8946 260.536 GPRESSURE: 3895200 57.3865 67.5438 128.02 -35.8743 121.483 -57.8334 194.378 -8.14102 297.843 PRESSAVG: 3895200 95.9438 25.4414 -46.1043 25.4415 -79.2897 -15.9859 -46.1043 -15.9859 -25.4149 GPRESSAVG: 3895200 95.2934 22.618 -45.6569 27.9483 -78.2239 -16.7395 -46.0866 -15.7247 -25.6572 TIMING: 3895200 CPU: 11319.7, 0.00289469/step Wall: 11319.7, 0.00289469/step, 0.888348 hours remaining, 206.789062 MB of memory in use. ENERGY: 3895200 735.9631 2162.7564 1969.7775 118.6034 -206257.1289 17993.4066 0.0000 0.0000 33965.6368 -149310.9851 296.6304 -183276.6220 -149217.8299 298.7378 126.3085 158.9042 558064.1379 -2.9203 -2.8626 PRESSURE: 3895400 208.518 -7.84773 -21.9199 -7.84774 196.823 75.5429 -21.9199 75.5423 183.387 GPRESSURE: 3895400 269.001 -1.25731 -78.6516 -132.15 213.687 11.4341 71.4608 99.0449 197.125 PRESSAVG: 3895400 -0.819881 -15.3366 -42.3414 -15.3365 -25.9765 -56.8398 -42.3415 -56.8398 48.2804 GPRESSAVG: 3895400 -1.42586 -12.5889 -43.8515 -17.3906 -26.1911 -55.3811 -41.5595 -57.1923 48.5844 TIMING: 3895400 CPU: 11320.2, 0.00290431/step Wall: 11320.2, 0.00290431/step, 0.891138 hours remaining, 206.789062 MB of memory in use. ENERGY: 3895400 759.6292 2087.0036 1967.7837 122.0081 -206403.7744 18095.2200 0.0000 0.0000 34186.2580 -149185.8718 298.5571 -183372.1299 -149090.1583 299.0184 196.2425 226.6048 556737.7189 7.1613 6.9891 PRESSURE: 3895600 -221.875 -86.7415 -2.56643 -86.7419 -398.875 233.747 -2.56737 233.747 119.761 GPRESSURE: 3895600 -149.799 -10.8215 -7.45863 -79.6132 -368.143 197.176 2.58239 263.581 121.758 PRESSAVG: 3895600 18.4953 74.6032 60.7564 74.6032 12.4157 -30.3846 60.7563 -30.3846 -7.59756 GPRESSAVG: 3895600 18.8382 73.6756 62.9489 76.7421 12.1499 -31.6042 59.982 -30.0322 -7.5783 TIMING: 3895600 CPU: 11320.8, 0.00292441/step Wall: 11320.8, 0.00292441/step, 0.897145 hours remaining, 206.789062 MB of memory in use. ENERGY: 3895600 761.5051 2134.3265 1979.9941 110.0050 -206282.5022 17805.1749 0.0000 0.0000 34323.6154 -149167.8812 299.7567 -183491.4967 -149074.2479 299.2564 -166.9965 -132.0613 558109.8340 7.7711 7.8033 PRESSURE: 3895800 -21.9182 -42.7847 147.93 -42.7835 -294.049 33.3558 147.932 33.3557 -318.079 GPRESSURE: 3895800 16.3115 -112.65 129.361 -41.678 -271.017 90.4303 44.6953 63.0722 -270.834 PRESSAVG: 3895800 24.3832 -8.66252 3.92742 -8.66244 -66.799 -5.63254 3.92731 -5.63246 26.7823 GPRESSAVG: 3895800 24.0517 -9.10939 2.20546 -10.5113 -66.6329 -5.11063 4.93589 -4.85393 26.5344 TIMING: 3895800 CPU: 11321.4, 0.00291586/step Wall: 11321.4, 0.00291586/step, 0.894359 hours remaining, 206.789062 MB of memory in use. ENERGY: 3895800 787.7432 2075.6376 1963.1343 116.2368 -206294.1629 17651.8693 0.0000 0.0000 34468.4807 -149231.0609 301.0218 -183699.5416 -149132.8455 299.1968 -211.3485 -175.1800 558175.3885 -5.2112 -5.3489 PRESSURE: 3896000 -115.351 -54.5285 -38.8805 -54.5292 -222.051 167 -38.8807 167 180.399 GPRESSURE: 3896000 -20.0567 -81.271 -7.2736 -47.4986 -197.412 276.187 -16.5847 80.0027 165.995 PRESSAVG: 3896000 20.3764 -37.3865 18.2065 -37.3865 8.32237 4.93295 18.2066 4.93293 -52.0477 GPRESSAVG: 3896000 19.5163 -35.3946 19.0674 -36.4971 9.28008 5.32977 18.4502 4.60749 -52.0334 TIMING: 3896000 CPU: 11322, 0.00291494/step Wall: 11322, 0.00291494/step, 0.893915 hours remaining, 206.789062 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: 3896000 772.2346 2135.0701 1973.9625 104.7455 -205948.8194 17704.4199 0.0000 0.0000 34175.3546 -149083.0323 298.4619 -183258.3869 -148987.9628 300.2066 -52.3343 -17.1577 558006.0250 -7.7830 -7.7457 PRESSURE: 3896200 -267.433 5.08734 -113.897 5.08604 -132.054 218.633 -113.897 218.633 -88.0438 GPRESSURE: 3896200 -208.306 16.0869 -68.6766 -25.5667 -88.5685 230.121 -97.409 203.933 -80.8086 PRESSAVG: 3896200 -4.41209 54.5329 -41.3265 54.5329 25.074 70.9841 -41.3265 70.9841 0.628353 GPRESSAVG: 3896200 -3.64125 55.1074 -41.2498 54.6771 24.9171 68.203 -42.2142 71.5213 0.0790122 TIMING: 3896200 CPU: 11322.6, 0.00290858/step Wall: 11322.6, 0.00290858/step, 0.891804 hours remaining, 206.789062 MB of memory in use. ENERGY: 3896200 744.8332 2081.8695 1956.8637 122.9962 -206210.5813 17695.2237 0.0000 0.0000 34533.7210 -149075.0740 301.5916 -183608.7950 -148973.8895 300.3189 -162.5103 -125.8943 557304.5639 7.0967 7.1183 LDB: ============= START OF LOAD BALANCING ============== 11326 LDB: ============== END OF LOAD BALANCING =============== 11326 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11326 LDB: ============= START OF LOAD BALANCING ============== 11326.3 LDB: Largest compute 4848 load 0.029309 is 24.9% of average load 0.117822 LDB: Average compute 0.001730 is 1.5% of average load 0.117822 LDB: TIME 11326.3 LOAD: AVG 0.117822 MAX 0.181022 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.559 MB LDB: TIME 11326.3 LOAD: AVG 0.117822 MAX 0.181022 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 11326.3 LOAD: AVG 0.117822 MAX 0.181022 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11326.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11326.3 PRESSURE: 3896400 -6.16051 1.78499 139.486 1.78585 -34.791 86.7365 139.485 86.7358 184.586 GPRESSURE: 3896400 49.2838 23.529 103.787 -1.50801 9.15998 111.626 277.106 80.909 172.676 PRESSAVG: 3896400 20.5441 -12.9896 14.6536 -12.9896 44.6803 55.5447 14.6535 55.5448 -13.0436 GPRESSAVG: 3896400 21.111 -13.8817 13.8645 -12.2753 42.3051 57.9155 15.693 54.8409 -11.4157 TIMING: 3896400 CPU: 11323.2, 0.00295611/step Wall: 11323.2, 0.00295611/step, 0.906212 hours remaining, 207.867188 MB of memory in use. ENERGY: 3896400 774.2037 2066.4310 1970.5267 118.0358 -206217.6017 17891.3615 0.0000 0.0000 34317.5004 -149079.5426 299.7033 -183397.0430 -148986.7902 299.4443 47.8782 77.0400 557820.8692 17.3936 17.3335 PRESSURE: 3896600 20.7424 231.318 150.073 231.319 -28.4528 -29.1655 150.071 -29.1656 193.703 GPRESSURE: 3896600 72.4666 127.832 238.568 204.066 -6.48104 43.9029 145.577 14.442 218.198 PRESSAVG: 3896600 93.2688 51.5845 18.674 51.5845 -65.8092 68.189 18.674 68.189 23.0707 GPRESSAVG: 3896600 92.4037 51.3025 18.7377 49.8614 -64.0461 68.5969 18.5889 66.9147 22.4184 TIMING: 3896600 CPU: 11323.7, 0.00290557/step Wall: 11323.7, 0.00290557/step, 0.890558 hours remaining, 208.070312 MB of memory in use. ENERGY: 3896600 703.0598 2071.6429 1962.0120 121.6664 -206017.1162 17736.0116 0.0000 0.0000 34346.7128 -149076.0108 299.9584 -183422.7236 -148972.9866 299.6940 61.9976 94.7279 558343.8408 16.8434 16.9253 PRESSURE: 3896800 68.6539 39.2268 3.88016 39.2268 -207.707 147.521 3.88041 147.522 -276.621 GPRESSURE: 3896800 91.8314 78.2332 -19.8199 40.3299 -136.576 182.403 -58.5684 194.747 -275.238 PRESSAVG: 3896800 -19.0077 9.60225 14.7226 9.60225 0.705431 -65.6157 14.7226 -65.6157 9.52551 GPRESSAVG: 3896800 -19.3705 9.79484 15.4244 11.4279 1.3746 -65.3283 14.729 -64.3942 8.86273 TIMING: 3896800 CPU: 11324.3, 0.00290653/step Wall: 11324.3, 0.00290653/step, 0.890691 hours remaining, 208.070312 MB of memory in use. ENERGY: 3896800 764.2899 2100.6109 1962.9607 105.2508 -206054.7995 17782.5253 0.0000 0.0000 34246.7118 -149092.4502 299.0851 -183339.1620 -148998.2968 299.1549 -138.5579 -106.6608 559654.3638 -2.9256 -3.0444 PRESSURE: 3897000 15.4447 -63.848 170.026 -63.8488 79.1772 -154.721 170.026 -154.721 451.478 GPRESSURE: 3897000 24.9529 -114.589 50.0678 -26.1079 144.12 -193.594 268.942 -76.3045 488.964 PRESSAVG: 3897000 -24.5305 46.8033 19.6266 46.8033 79.8489 10.8841 19.6266 10.8841 -48.2352 GPRESSAVG: 3897000 -24.3708 45.7205 19.6212 48.8187 80.3934 9.79465 18.5488 10.5397 -48.8173 TIMING: 3897000 CPU: 11324.9, 0.00288945/step Wall: 11324.9, 0.00288945/step, 0.885294 hours remaining, 208.070312 MB of memory in use. ENERGY: 3897000 763.5747 2064.4158 1966.1665 118.4991 -206389.0171 18165.7972 0.0000 0.0000 34323.6813 -148986.8825 299.7572 -183310.5638 -148892.8322 299.3802 182.0332 219.3456 558927.9603 2.3611 2.4018 PRESSURE: 3897200 -318.823 14.7518 20.1285 14.7518 -306.709 -84.7258 20.1293 -84.7258 32.6546 GPRESSURE: 3897200 -294.734 23.615 -7.6235 32.9502 -269.774 -109.263 27.2148 -72.4797 78.7204 PRESSAVG: 3897200 10.1518 8.13543 50.7575 8.13545 31.3676 -0.945746 50.7575 -0.945736 -64.2524 GPRESSAVG: 3897200 10.195 8.2849 51.6832 4.84988 30.9453 -1.5038 49.1271 -1.31301 -63.6464 TIMING: 3897200 CPU: 11325.5, 0.00290627/step Wall: 11325.5, 0.00290627/step, 0.890287 hours remaining, 208.070312 MB of memory in use. ENERGY: 3897200 741.2212 2093.4564 1960.1277 119.6249 -206052.3092 17681.1032 0.0000 0.0000 34417.8906 -149038.8853 300.5800 -183456.7759 -148942.6372 298.9121 -197.6259 -161.9292 558981.2139 -7.5777 -7.5020 PRESSURE: 3897400 -132.887 -55.1324 -86.7224 -55.1322 -126.13 -35.0041 -86.7225 -35.0039 -80.9432 GPRESSURE: 3897400 -74.0209 -72.1643 -150.912 -170.259 -148.351 -47.5394 -90.7355 -19.8839 -31.6318 PRESSAVG: 3897400 -63.9293 -32.8582 44.9767 -32.8583 93.0479 21.5198 44.9767 21.5197 8.61999 GPRESSAVG: 3897400 -64.8737 -33.3636 44.6051 -31.6766 92.6088 19.9719 48.0959 22.8526 9.36206 TIMING: 3897400 CPU: 11326.1, 0.00291194/step Wall: 11326.1, 0.00291194/step, 0.891861 hours remaining, 208.070312 MB of memory in use. ENERGY: 3897400 730.0187 2133.4696 1952.6229 124.2433 -205974.8576 17659.3208 0.0000 0.0000 34444.5578 -148930.6246 300.8129 -183375.1824 -148832.0546 299.8563 -113.3199 -84.6679 559725.9657 12.5795 12.3657 PRESSURE: 3897600 -347.801 42.3753 33.5004 42.3765 -48.0821 -1.9848 33.4993 -1.98522 -95.2656 GPRESSURE: 3897600 -304.836 28.7845 2.4761 112.589 -5.08885 39.4081 55.6029 -49.5853 -87.1618 PRESSAVG: 3897600 -23.8653 -25.0442 -46.5352 -25.0441 60.1701 -34.0383 -46.5352 -34.0383 -29.7409 GPRESSAVG: 3897600 -23.4104 -23.9893 -47.0573 -24.6152 60.1821 -34.4106 -47.2908 -33.2408 -30.795 TIMING: 3897600 CPU: 11326.6, 0.00292342/step Wall: 11326.6, 0.00292343/step, 0.895218 hours remaining, 208.070312 MB of memory in use. ENERGY: 3897600 744.6857 2110.2317 1944.9829 116.8679 -205796.4124 17621.6566 0.0000 0.0000 34314.9969 -148942.9908 299.6814 -183257.9877 -148850.2697 299.8005 -163.7161 -132.3623 559459.0574 2.1880 1.9923 PRESSURE: 3897800 -327.79 -32.4959 -33.2668 -32.4963 -155.496 122.307 -33.2667 122.307 -124.325 GPRESSURE: 3897800 -265.24 -64.031 -49.8359 -1.34797 -114.459 118.986 -4.55658 184.056 -133.328 PRESSAVG: 3897800 -101.937 -3.43606 -65.3801 -3.43606 59.9401 4.3839 -65.3801 4.38392 36.8682 GPRESSAVG: 3897800 -101.433 -2.99939 -65.8575 -2.94531 59.991 7.37977 -64.2568 1.43808 36.6147 TIMING: 3897800 CPU: 11327.2, 0.00292778/step Wall: 11327.2, 0.00292778/step, 0.896388 hours remaining, 208.070312 MB of memory in use. ENERGY: 3897800 759.3564 2050.8333 1946.1955 103.7700 -205957.6108 17683.0968 0.0000 0.0000 34284.2640 -149130.0948 299.4130 -183414.3588 -149026.3851 299.3436 -202.5369 -171.0092 560104.8834 -1.7095 -1.6092 PRESSURE: 3898000 -239.574 24.8594 83.132 24.8589 59.8047 -169.859 83.1315 -169.861 -197.091 GPRESSURE: 3898000 -192.17 46.8929 10.4379 34.2139 86.3073 -138.388 60.1295 -135.304 -173.468 PRESSAVG: 3898000 -95.0382 -40.619 -30.7196 -40.619 97.5498 8.21495 -30.7197 8.21495 29.3499 GPRESSAVG: 3898000 -95.4292 -39.5825 -29.3968 -41.3255 96.5388 9.51963 -34.4334 8.08915 30.9201 TIMING: 3898000 CPU: 11327.8, 0.00291297/step Wall: 11327.8, 0.00291297/step, 0.891692 hours remaining, 208.070312 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: 3898000 763.2057 2112.2817 1945.2454 135.8417 -205923.1279 17652.6577 0.0000 0.0000 33877.7462 -149436.1495 295.8628 -183313.8957 -149343.3518 298.0883 -125.6199 -93.1102 558917.6234 10.6205 10.6766 PRESSURE: 3898200 -63.392 -12.3492 -1.36304 -12.3489 180.044 -117.85 -1.36341 -117.851 2.80441 GPRESSURE: 3898200 -38.1074 23.7539 55.7957 23.4889 208.457 -64.8658 -16.7473 -66.3359 38.0438 PRESSAVG: 3898200 -56.3454 11.9284 19.6918 11.9283 52.2106 14.0809 19.6919 14.081 7.75732 GPRESSAVG: 3898200 -56.4497 11.6763 20.2912 11.4127 53.3775 14.0868 21.2495 13.4433 6.76464 TIMING: 3898200 CPU: 11328.4, 0.00290784/step Wall: 11328.4, 0.00290784/step, 0.889961 hours remaining, 208.070312 MB of memory in use. ENERGY: 3898200 734.9829 2055.6628 1933.6015 115.0092 -206451.9032 17977.1412 0.0000 0.0000 34142.9723 -149492.5332 298.1791 -183635.5055 -149396.6724 297.6451 39.8188 69.4645 557365.1856 1.2075 1.2308 PRESSURE: 3898400 -221.542 92.9854 9.86234 92.9841 24.0892 -29.7371 9.86234 -29.7365 150.269 GPRESSURE: 3898400 -177.265 83.7272 17.0726 83.1827 59.2388 -21.0104 -60.225 -28.036 180.9 PRESSAVG: 3898400 -34.3428 -1.01387 14.7644 -1.01386 57.8949 3.80291 14.7645 3.80281 -33.8758 GPRESSAVG: 3898400 -34.6562 -3.62533 13.0667 1.30777 58.6758 1.36865 17.1192 5.83222 -33.9249 TIMING: 3898400 CPU: 11329, 0.00289106/step Wall: 11329, 0.00289106/step, 0.884663 hours remaining, 208.070312 MB of memory in use. ENERGY: 3898400 742.4646 2017.0914 1932.2538 120.1945 -206185.4823 17848.3394 0.0000 0.0000 33997.5769 -149527.5616 296.9093 -183525.1385 -149428.5028 297.6676 -15.7276 20.9579 558013.3491 -3.4413 -3.3018 PRESSURE: 3898600 -3.96754 92.2967 -42.1607 92.2957 231.237 64.2558 -42.1619 64.2566 271.26 GPRESSURE: 3898600 7.12634 208.432 -131.02 92.2421 260.674 108.153 54.3736 47.35 325.404 PRESSAVG: 3898600 -4.88909 35.4332 -1.59041 35.4333 36.955 -21.6052 -1.59035 -21.6051 -42.65 GPRESSAVG: 3898600 -5.10503 36.4012 -2.72254 34.4009 36.59 -21.2647 -1.44693 -23.1462 -41.9424 TIMING: 3898600 CPU: 11329.6, 0.0028961/step Wall: 11329.6, 0.0028961/step, 0.886047 hours remaining, 208.070312 MB of memory in use. ENERGY: 3898600 739.4694 2006.9821 1956.2538 114.7399 -206396.9419 18053.2434 0.0000 0.0000 33952.2811 -149573.9722 296.5137 -183526.2533 -149483.9025 297.6866 166.1766 197.7348 557276.0015 -3.5280 -3.4858 PRESSURE: 3898800 -35.6557 78.0296 82.8094 78.0288 -193.679 -76.4368 82.8094 -76.4372 51.071 GPRESSURE: 3898800 -6.30522 28.3357 113.592 102.45 -89.0541 -23.0736 57.7992 -144.935 21.2573 PRESSAVG: 3898800 25.008 -36.3628 -8.03573 -36.3628 -17.4018 -3.41692 -8.03571 -3.41701 21.0722 GPRESSAVG: 3898800 27.2035 -36.4506 -5.33247 -36.8269 -18.5568 -4.34843 -10.048 -3.05738 20.1982 TIMING: 3898800 CPU: 11330.1, 0.00293005/step Wall: 11330.1, 0.00293005/step, 0.896269 hours remaining, 208.070312 MB of memory in use. ENERGY: 3898800 756.6733 2110.1146 1950.8207 108.0616 -206140.7834 17616.9947 0.0000 0.0000 34077.2308 -149520.8876 297.6049 -183598.1184 -149422.8235 297.3903 -59.4212 -24.7006 556939.0913 9.5594 9.6150 PRESSURE: 3899000 183.149 -37.0941 76.6429 -37.094 59.9982 111.349 76.6428 111.349 69.6184 GPRESSURE: 3899000 250.831 -123.549 -7.67489 -27.9767 69.9137 75.2803 135.402 87.113 81.0452 PRESSAVG: 3899000 29.1069 -8.95635 -15.3662 -8.95614 -21.1777 4.73711 -15.3662 4.73719 -32.8598 GPRESSAVG: 3899000 27.6605 -7.75428 -16.3635 -10.626 -20.664 7.62052 -15.2913 4.33962 -32.1696 TIMING: 3899000 CPU: 11330.7, 0.0029269/step Wall: 11330.7, 0.0029269/step, 0.895143 hours remaining, 208.273438 MB of memory in use. ENERGY: 3899000 792.0378 2079.8341 1939.5774 112.3392 -206424.1556 18002.0728 0.0000 0.0000 34091.3385 -149406.9559 297.7281 -183498.2944 -149309.7011 298.1465 104.2553 133.9299 557376.0592 -8.3102 -8.3910 PRESSURE: 3899200 -172.947 26.427 38.2934 26.4266 171.7 98.4925 38.2926 98.4896 -26.6631 GPRESSURE: 3899200 -92.5854 49.4085 -48.7228 0.185367 212.623 118.674 116.836 164.765 -53.1645 PRESSAVG: 3899200 -40.5455 -45.8329 -9.71044 -45.8328 40.5625 21.2288 -9.71055 21.2288 -4.30713 GPRESSAVG: 3899200 -40.5252 -45.2583 -10.4092 -44.344 40.3587 20.4111 -7.5721 22.5522 -4.47574 TIMING: 3899200 CPU: 11331.3, 0.00291597/step Wall: 11331.3, 0.00291597/step, 0.891639 hours remaining, 208.273438 MB of memory in use. ENERGY: 3899200 811.2103 2026.2075 1962.8428 118.7857 -206292.9933 17871.3073 0.0000 0.0000 34036.9778 -149465.6620 297.2534 -183502.6398 -149368.7434 298.1518 -9.3034 22.2911 557174.0834 -1.4300 -1.5474 PRESSURE: 3899400 50.6138 -56.4341 -34.0105 -56.4339 -150.207 -51.9562 -34.0101 -51.9559 -150.033 GPRESSURE: 3899400 131.614 58.4381 -88.5215 -71.2241 -137.977 -19.9432 16.5339 -66.9616 -147.883 PRESSAVG: 3899400 6.64067 -1.33228 -21.0523 -1.33233 -38.2451 -4.15448 -21.0522 -4.15456 89.5479 GPRESSAVG: 3899400 6.72515 -1.75189 -18.5703 -3.09355 -37.794 -3.68255 -22.6066 -4.5154 89.5906 TIMING: 3899400 CPU: 11331.9, 0.00291372/step Wall: 11331.9, 0.00291372/step, 0.890789 hours remaining, 208.273438 MB of memory in use. ENERGY: 3899400 757.2852 2052.4452 1969.1001 115.0545 -206186.2386 17707.6920 0.0000 0.0000 34205.5370 -149379.1245 298.7255 -183584.6615 -149283.1601 298.3856 -83.2085 -51.4153 556629.2495 19.3145 19.5072 PRESSURE: 3899600 -152.771 -78.2027 -27.4914 -78.2036 -122.29 -115.065 -27.4921 -115.066 143.827 GPRESSURE: 3899600 -143.287 -154.302 15.8534 -35.0704 -18.8732 -86.9176 -22.5881 -111.349 133.361 PRESSAVG: 3899600 -0.531431 -36.3975 -24.1508 -36.3975 -20.5601 -8.05633 -24.1508 -8.05625 44.0061 GPRESSAVG: 3899600 0.150784 -38.3765 -27.0022 -35.2165 -21.2999 -8.8688 -22.9413 -7.33547 43.8136 TIMING: 3899600 CPU: 11332.5, 0.00290448/step Wall: 11332.5, 0.00290448/step, 0.887802 hours remaining, 208.476562 MB of memory in use. ENERGY: 3899600 790.8466 2114.4116 1967.6381 120.3947 -206434.0905 17858.3800 0.0000 0.0000 34301.7738 -149280.6457 299.5659 -183582.4194 -149182.7606 298.7763 -43.7448 -9.5996 557292.8100 7.6382 7.5548 PRESSURE: 3899800 -12.2181 8.38474 -99.4929 8.38514 -129.982 60.7571 -99.4932 60.7562 12.3084 GPRESSURE: 3899800 54.4473 71.8788 -138.174 -57.4814 -125.891 76.2883 -32.7135 23.8383 37.186 PRESSAVG: 3899800 60.6217 -18.795 3.09843 -18.7949 -0.146234 46.1655 3.09833 46.1656 -33.2913 GPRESSAVG: 3899800 59.1941 -18.5361 2.86202 -18.7401 0.608956 46.2377 3.41763 44.9431 -32.3162 TIMING: 3899800 CPU: 11333.1, 0.00292194/step Wall: 11333.1, 0.00292194/step, 0.892976 hours remaining, 208.476562 MB of memory in use. ENERGY: 3899800 715.7430 2136.1978 1947.3707 109.5149 -206318.0981 17962.6147 0.0000 0.0000 34212.6242 -149234.0328 298.7874 -183446.6569 -149132.4890 298.9197 -43.2971 -11.4192 557263.5318 9.0614 9.1623 WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3900000 31.2541 -75.8373 -87.8144 -75.8366 40.737 15.0373 -87.8152 15.0377 107.307 GPRESSURE: 3900000 52.4588 -75.879 -137.135 -84.1406 98.3432 90.4932 -38.2114 -70.7598 113.45 PRESSAVG: 3900000 52.2687 -13.5766 0.752829 -13.5765 -35.7036 41.907 0.752879 41.9069 -17.0196 GPRESSAVG: 3900000 52.8691 -12.6975 2.19693 -14.6188 -36.4175 42.9537 -1.81249 40.658 -16.9701 TIMING: 3900000 CPU: 11333.7, 0.00343481/step Wall: 11333.7, 0.00343481/step, 1.04952 hours remaining, 208.601562 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: 3900000 783.1016 2120.4693 1930.6793 120.6389 -206266.9915 17948.3993 0.0000 0.0000 34193.4349 -149170.2681 298.6198 -183363.7031 -149066.4510 299.3605 59.7661 88.0839 556942.0778 -0.1515 -0.1728 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 PRESSURE: 3900200 -34.3846 24.8961 -89.3579 24.8971 -28.0021 27.0753 -89.3592 27.0754 -246.163 GPRESSURE: 3900200 26.9301 103.136 -184.139 -14.291 -44.0235 65.581 -42.6697 -70.4849 -196.34 PRESSAVG: 3900200 35.0059 38.9558 20.9246 38.9558 -80.5663 21.1472 20.9245 21.1471 23.0864 GPRESSAVG: 3900200 34.6837 37.599 21.3555 40.4353 -80.9071 21.1822 21.2437 21.4267 23.3829 TIMING: 3900200 CPU: 11334.3, 0.00301395/step Wall: 11334.3, 0.00301395/step, 0.920762 hours remaining, 208.601562 MB of memory in use. ENERGY: 3900200 764.5507 2084.1203 1940.7948 110.6278 -206092.3378 17645.0911 0.0000 0.0000 34242.0531 -149305.1000 299.0444 -183547.1530 -149210.4522 299.2648 -102.8499 -71.1444 557383.6535 -7.4913 -7.6135 LDB: ============= START OF LOAD BALANCING ============== 11337.8 LDB: ============== END OF LOAD BALANCING =============== 11337.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11337.8 LDB: ============= START OF LOAD BALANCING ============== 11338.1 LDB: Largest compute 4848 load 0.029864 is 25.4% of average load 0.117805 LDB: Average compute 0.001740 is 1.5% of average load 0.117805 LDB: TIME 11338.1 LOAD: AVG 0.117805 MAX 0.180984 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 11338.1 LOAD: AVG 0.117805 MAX 0.180984 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: TIME 11338.1 LOAD: AVG 0.117805 MAX 0.180984 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11338.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11338.1 PRESSURE: 3900400 80.6045 209.865 -64.2306 209.864 384.15 54.4928 -64.2293 54.4927 509.152 GPRESSURE: 3900400 75.167 158.424 -63.5008 98.7237 452.206 -28.2544 -95.0468 126.923 551.755 PRESSAVG: 3900400 -41.0736 37.1379 -9.97522 37.1379 33.4389 18.8444 -9.97519 18.8446 42.2214 GPRESSAVG: 3900400 -40.4355 38.4974 -12.3084 35.4582 34.112 17.1083 -10.9101 20.582 41.9575 TIMING: 3900400 CPU: 11334.9, 0.00299467/step Wall: 11334.9, 0.00299467/step, 0.914706 hours remaining, 207.101562 MB of memory in use. ENERGY: 3900400 723.6326 2036.8768 1936.2439 121.2386 -206766.0997 18333.1625 0.0000 0.0000 34367.6155 -149247.3299 300.1409 -183614.9454 -149151.3359 299.5219 324.6356 359.7093 556666.4315 11.5289 11.8780 PRESSURE: 3900600 -163.01 9.91819 94.6888 9.91806 -105.197 -113.05 94.6897 -113.05 -127.423 GPRESSURE: 3900600 -129.923 56.9151 72.0882 -7.16741 -75.4244 -112.965 59.2544 -120.446 -91.8502 PRESSAVG: 3900600 -20.6755 -24.1007 11.7133 -24.1007 25.6666 -13.4807 11.7134 -13.4809 -3.64426 GPRESSAVG: 3900600 -20.6787 -24.3935 12.4618 -23.5231 24.4426 -11.5433 12.2304 -15.4546 -2.67415 TIMING: 3900600 CPU: 11335.5, 0.00295674/step Wall: 11335.5, 0.00295674/step, 0.902955 hours remaining, 207.304688 MB of memory in use. ENERGY: 3900600 731.9323 2093.4997 1936.4677 115.5426 -205920.0133 17676.3873 0.0000 0.0000 34099.9074 -149266.2763 297.8030 -183366.1837 -149169.0529 299.1327 -131.8767 -99.0657 557779.4811 0.4489 0.3633 PRESSURE: 3900800 37.366 -36.414 34.1308 -36.4148 -45.9762 123.344 34.132 123.343 47.0404 GPRESSURE: 3900800 82.8084 12.9575 -22.6076 -63.6877 -55.5766 91.5862 87.7306 133.813 90.1606 PRESSAVG: 3900800 50.5304 4.63113 41.7887 4.63112 16.2548 16.2037 41.7886 16.2038 -19.66 GPRESSAVG: 3900800 51.0493 3.18298 43.576 6.63444 17.0448 14.1596 41.6017 18.1059 -20.6131 TIMING: 3900800 CPU: 11336.1, 0.00292423/step Wall: 11336.1, 0.00292423/step, 0.892865 hours remaining, 207.304688 MB of memory in use. ENERGY: 3900800 763.3069 2049.7096 1925.9484 121.0835 -206060.0646 17764.3905 0.0000 0.0000 34200.4946 -149235.1313 298.6814 -183435.6258 -149142.1067 299.2094 12.8101 39.1308 557020.0240 15.7084 15.8270 PRESSURE: 3901000 43.1142 -71.9755 40.8323 -71.975 96.153 -43.3482 40.8329 -43.347 327.599 GPRESSURE: 3901000 32.4148 -3.99452 59.7477 -134.893 154.934 3.40414 40.2664 20.2278 376.508 PRESSAVG: 3901000 4.27145 -12.0795 38.2364 -12.0796 -19.5721 37.9653 38.2365 37.9652 -32.7278 GPRESSAVG: 3901000 4.79338 -10.4671 37.2205 -13.5432 -20.3627 38.549 38.4652 37.7859 -32.7145 TIMING: 3901000 CPU: 11336.7, 0.00291026/step Wall: 11336.7, 0.00291026/step, 0.888436 hours remaining, 207.304688 MB of memory in use. ENERGY: 3901000 770.6945 2009.9346 1941.6211 124.4578 -206535.9623 18132.1250 0.0000 0.0000 34154.7308 -149402.3987 298.2818 -183557.1295 -149313.9319 297.9886 155.6220 187.9523 556527.9542 -16.0095 -16.0946 PRESSURE: 3901200 -157.701 31.5981 -29.331 31.598 -60.7335 38.1853 -29.3323 38.1864 40.6415 GPRESSURE: 3901200 -95.1782 100.553 51.1486 -77.9622 -83.2518 -1.46405 -61.1973 88.7644 104.672 PRESSAVG: 3901200 -74.7413 -0.601424 15.5605 -0.601486 58.0419 -9.95734 15.5605 -9.95736 21.4924 GPRESSAVG: 3901200 -76.1807 0.410021 14.7268 -1.59628 59.0709 -8.33923 16.7997 -11.9298 21.8456 TIMING: 3901200 CPU: 11337.3, 0.00290976/step Wall: 11337.3, 0.00290976/step, 0.888123 hours remaining, 207.304688 MB of memory in use. ENERGY: 3901200 743.9393 2077.8506 1986.9494 117.8879 -206189.2580 17850.1172 0.0000 0.0000 34023.9163 -149388.5973 297.1393 -183412.5136 -149294.0280 298.8619 -59.2643 -24.5860 557773.4260 1.5977 1.5786 PRESSURE: 3901400 -202.618 119.135 -57.3604 119.135 -295.196 73.4608 -57.3609 73.4601 84.1438 GPRESSURE: 3901400 -167.776 62.5639 -179.438 81.4539 -225.123 171.894 -26.7141 46.2023 71.3679 PRESSAVG: 3901400 -34.4182 -1.28725 -31.7811 -1.28726 -52.6466 -3.86752 -31.781 -3.86757 79.6174 GPRESSAVG: 3901400 -33.6107 0.877733 -31.2366 -2.69177 -53.5885 -4.92274 -32.7085 -1.87901 79.2836 TIMING: 3901400 CPU: 11337.9, 0.00292435/step Wall: 11337.9, 0.00292435/step, 0.892414 hours remaining, 207.304688 MB of memory in use. ENERGY: 3901400 736.3969 2119.2732 1952.2858 110.1664 -206113.3613 17611.9817 0.0000 0.0000 34288.1159 -149295.1413 299.4466 -183583.2572 -149197.7029 298.2510 -137.8898 -107.1771 559319.6741 -2.4825 -2.6385 PRESSURE: 3901600 -187.703 -66.5976 9.09426 -66.5978 -118.549 132.207 9.09521 132.206 108.811 GPRESSURE: 3901600 -193.777 -27.4276 -12.1763 -24.3241 -95.5983 110.502 8.38755 155.61 188.597 PRESSAVG: 3901600 -5.59275 10.8723 -44.3947 10.8723 -42.72 58.5304 -44.3947 58.5303 53.8739 GPRESSAVG: 3901600 -5.16898 8.49909 -44.7123 12.9356 -43.3451 59.5229 -44.7385 57.7515 53.8069 TIMING: 3901600 CPU: 11338.5, 0.00291757/step Wall: 11338.5, 0.00291757/step, 0.890182 hours remaining, 207.304688 MB of memory in use. ENERGY: 3901600 762.3255 2088.1811 1955.6196 108.4888 -206200.9624 17720.0527 0.0000 0.0000 34148.0230 -149418.2716 298.2232 -183566.2945 -149319.7187 298.4776 -65.8135 -33.5928 558248.4649 1.8537 1.7643 PRESSURE: 3901800 -60.6836 180.37 87.9407 180.369 38.4797 -243.555 87.9395 -243.554 25.5347 GPRESSURE: 3901800 -37.2218 89.1783 125.597 98.7317 117.338 -263.218 89.8736 -171.765 13.7858 PRESSAVG: 3901800 -49.5096 54.5977 16.2757 54.5977 13.5893 -68.859 16.2758 -68.8591 64.3747 GPRESSAVG: 3901800 -50.904 54.9406 16.0302 54.817 13.5491 -70.6357 17.3964 -68.3054 65.6026 TIMING: 3901800 CPU: 11339, 0.00289323/step Wall: 11339, 0.00289323/step, 0.882595 hours remaining, 207.304688 MB of memory in use. ENERGY: 3901800 728.5955 2108.3405 1953.9748 119.0804 -206311.1184 17852.6454 0.0000 0.0000 34251.6336 -149296.8483 299.1280 -183548.4818 -149200.4600 298.0134 1.1102 31.3006 557585.3633 9.4848 9.4159 PRESSURE: 3902000 187.868 72.0031 14.1275 72.0037 2.14176 90.003 14.128 90.0049 218.972 GPRESSURE: 3902000 188.022 115.528 36.207 49.4202 110.11 -40.2597 102.004 217.993 201 PRESSAVG: 3902000 -7.69387 50.8998 26.709 50.8997 51.0917 -6.45612 26.7089 -6.45619 -38.9265 GPRESSAVG: 3902000 -7.04305 49.4813 25.8433 50.9215 51.9739 -5.18932 27.5466 -7.68711 -40.1031 TIMING: 3902000 CPU: 11339.6, 0.00291123/step Wall: 11339.6, 0.00291123/step, 0.887925 hours remaining, 207.304688 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: 3902000 739.2614 2073.1792 1952.2591 103.5812 -206530.5480 18147.8379 0.0000 0.0000 34286.9466 -149227.4826 299.4364 -183514.4291 -149126.4663 299.1403 136.3273 166.3772 557477.9723 1.4905 1.6093 PRESSURE: 3902200 -139.185 -140.273 -67.9467 -140.271 40.1654 -1.99294 -67.947 -1.99437 -127.598 GPRESSURE: 3902200 -87.8982 -111.856 -73.505 -151.206 50.9154 15.1471 -117.615 28.2294 -85.3765 PRESSAVG: 3902200 -26.6528 -9.22274 12.2231 -9.22268 -14.8747 -18.7789 12.2231 -18.7789 22.2176 GPRESSAVG: 3902200 -26.67 -9.72693 13.6042 -9.98415 -15.4819 -16.7799 11.2337 -20.4234 22.9501 TIMING: 3902200 CPU: 11340.2, 0.00290632/step Wall: 11340.2, 0.00290632/step, 0.886265 hours remaining, 207.304688 MB of memory in use. ENERGY: 3902200 745.2574 2016.1446 1945.4650 127.5564 -205979.2190 17676.3403 0.0000 0.0000 34264.1827 -149204.2726 299.2376 -183468.4553 -149108.3221 299.2188 -75.5389 -40.7864 558518.7055 -6.4366 -6.4006 PRESSURE: 3902400 27.5455 35.1416 -27.0844 35.1434 167.808 93.5595 -27.0846 93.5577 169.094 GPRESSURE: 3902400 95.4028 44.7581 -11.4579 33.5745 247.421 101.25 -72.7159 -9.90528 116.611 PRESSAVG: 3902400 -61.1451 44.7467 37.8909 44.7467 -18.6239 3.77786 37.8908 3.7779 55.2221 GPRESSAVG: 3902400 -61.2213 46.1151 37.8798 43.6831 -18.4081 0.889137 37.296 5.60711 55.2156 TIMING: 3902400 CPU: 11340.8, 0.00292262/step Wall: 11340.8, 0.00292262/step, 0.891073 hours remaining, 207.304688 MB of memory in use. ENERGY: 3902400 736.3369 2028.5875 1935.9237 107.0680 -206328.5695 18001.1467 0.0000 0.0000 34488.6247 -149030.8821 301.1977 -183519.5068 -148932.0857 299.2159 121.4826 153.1450 557409.8612 -8.1823 -8.1379 PRESSURE: 3902600 147.752 -62.2316 206.896 -62.2318 -4.77273 63.8408 206.896 63.8422 -86.4024 GPRESSURE: 3902600 134.933 -221.644 207.63 39.8791 56.1693 114.157 108.14 0.792464 -27.1879 PRESSAVG: 3902600 -47.1227 -10.507 3.17371 -10.507 46.3895 -14.2806 3.1737 -14.2806 -26.4797 GPRESSAVG: 3902600 -47.6538 -10.2458 3.66095 -10.2649 46.8548 -13.4523 1.27683 -12.0035 -26.3405 TIMING: 3902600 CPU: 11341.4, 0.00291942/step Wall: 11341.4, 0.00291942/step, 0.889937 hours remaining, 207.304688 MB of memory in use. ENERGY: 3902600 723.4748 2062.4477 1964.1924 105.5155 -206104.0168 17769.0367 0.0000 0.0000 34314.2141 -149165.1357 299.6746 -183479.3498 -149071.5712 299.8743 18.8589 54.6381 556739.0637 -9.0710 -9.0465 PRESSURE: 3902800 17.7387 65.4973 -147.133 65.4973 33.4134 162.601 -147.133 162.601 283.18 GPRESSURE: 3902800 51.0441 26.4759 -152.927 122.9 60.0088 186.985 -63.9314 222.066 329.436 PRESSAVG: 3902800 25.4986 -41.7451 17.668 -41.7452 -36.8526 23.1334 17.668 23.1332 30.1299 GPRESSAVG: 3902800 24.7987 -43.1158 16.8161 -41.609 -37.5489 23.0677 20.9787 20.8961 31.6319 TIMING: 3902800 CPU: 11341.9, 0.00291583/step Wall: 11341.9, 0.00291583/step, 0.888681 hours remaining, 207.304688 MB of memory in use. ENERGY: 3902800 739.7924 2038.4908 1915.7015 117.1120 -206009.4500 17886.6140 0.0000 0.0000 34254.2660 -149057.4734 299.1510 -183311.7393 -148961.9955 299.6521 111.4440 146.8298 557496.2952 6.2586 6.2939 PRESSURE: 3903000 -188.166 56.4231 -70.8334 56.4233 19.0603 45.1171 -70.8348 45.1184 -128.294 GPRESSURE: 3903000 -170.758 110.301 -16.1221 73.2628 39.2991 74.0791 -65.9128 53.4957 -72.0518 PRESSAVG: 3903000 -84.1418 -14.1337 13.1438 -14.1336 26.0198 -1.41572 13.1438 -1.41574 59.6413 GPRESSAVG: 3903000 -82.9972 -14.5073 13.282 -13.1537 27.6889 -1.43123 13.0516 -0.0875794 57.2294 TIMING: 3903000 CPU: 11342.5, 0.00291547/step Wall: 11342.5, 0.00291547/step, 0.888408 hours remaining, 207.304688 MB of memory in use. ENERGY: 3903000 754.4104 2098.9165 1980.9810 113.3174 -205991.3409 17690.1755 0.0000 0.0000 34481.4257 -148872.1143 301.1349 -183353.5400 -148783.2002 300.2960 -99.1330 -67.8369 559089.2307 0.5064 0.6404 PRESSURE: 3903200 255.327 -182.705 32.5403 -182.705 324.964 -31.2002 32.5408 -31.1989 434.139 GPRESSURE: 3903200 319.719 -179.732 -98.2433 -223.663 340.734 1.93963 142.494 -59.6755 457.548 PRESSAVG: 3903200 -52.6847 2.43445 -29.3364 2.4345 78.6891 6.05449 -29.3365 6.05457 -3.43454 GPRESSAVG: 3903200 -51.8928 4.27294 -28.5605 2.02128 78.2113 7.53469 -29.0079 3.84286 -3.43397 TIMING: 3903200 CPU: 11343.1, 0.0029272/step Wall: 11343.1, 0.0029272/step, 0.891821 hours remaining, 207.304688 MB of memory in use. ENERGY: 3903200 748.3050 2080.1071 1972.8723 104.7811 -206560.2933 18331.1239 0.0000 0.0000 34295.6183 -149027.4857 299.5122 -183323.1040 -148935.8445 300.4270 338.1431 372.6670 557620.5277 7.5233 7.6282 PRESSURE: 3903400 231.269 23.949 -86.2376 23.9486 57.5923 80.8368 -86.2381 80.8357 -154.1 GPRESSURE: 3903400 185.924 45.8804 -115.94 -57.2153 115.13 -17.1578 -0.498163 152.138 -68.6189 PRESSAVG: 3903400 65.1613 -42.9012 -65.3156 -42.9014 -48.3673 57.4057 -65.3157 57.4057 8.84979 GPRESSAVG: 3903400 63.9616 -44.5243 -65.4173 -42.0039 -48.6469 56.5316 -66.2499 57.5777 10.0161 TIMING: 3903400 CPU: 11343.7, 0.00290636/step Wall: 11343.7, 0.00290637/step, 0.885311 hours remaining, 207.304688 MB of memory in use. ENERGY: 3903400 779.1423 2053.3132 1974.9204 112.0287 -206345.1613 18156.5645 0.0000 0.0000 34182.4191 -149086.7732 298.5236 -183269.1923 -148998.7623 299.6819 44.9206 77.4787 558281.6443 8.5479 8.4436 PRESSURE: 3903600 164.06 -88.2385 -160.442 -88.2383 102.958 -20.3003 -160.444 -20.2981 -84.4596 GPRESSURE: 3903600 203.443 -125.993 -198.354 -69.603 114.743 -57.9342 -124.157 54.2105 -36.4562 PRESSAVG: 3903600 11.1452 -39.2819 -40.4078 -39.2819 -34.3566 24.7267 -40.4079 24.7267 33.3034 GPRESSAVG: 3903600 13.691 -38.5916 -42.1486 -40.5429 -35.6507 22.7894 -39.2355 26.9225 31.8003 TIMING: 3903600 CPU: 11344.3, 0.0028968/step Wall: 11344.3, 0.0028968/step, 0.882237 hours remaining, 207.304688 MB of memory in use. ENERGY: 3903600 763.5645 2041.2906 1956.8642 103.4110 -206206.1189 17912.9700 0.0000 0.0000 34370.3413 -149057.6772 300.1647 -183428.0185 -148960.7790 299.5734 60.8529 93.9098 557460.4472 3.3640 3.2802 PRESSURE: 3903800 8.26755 -72.3824 -45.5344 -72.3828 -134.508 57.2892 -45.534 57.2879 66.426 GPRESSURE: 3903800 36.9031 -83.3125 -4.04832 24.027 -92.7617 11.0509 13.6081 136.553 95.3967 PRESSAVG: 3903800 9.77072 13.9286 1.07789 13.9286 -84.1518 19.392 1.07783 19.392 71.4581 GPRESSAVG: 3903800 8.40074 11.9759 3.48383 16.4067 -83.4496 21.4898 -1.34516 19.0318 72.6996 TIMING: 3903800 CPU: 11344.9, 0.00291028/step Wall: 11344.9, 0.00291028/step, 0.88618 hours remaining, 207.304688 MB of memory in use. ENERGY: 3903800 744.2928 2042.3713 1973.0224 120.0758 -205955.2195 17776.1506 0.0000 0.0000 34237.6843 -149061.6223 299.0062 -183299.3067 -148955.8972 299.1343 -19.9382 13.1794 557307.1328 -0.9743 -0.7831 PRESSURE: 3904000 38.797 31.8599 62.5817 31.8599 80.9677 40.6905 62.5817 40.6909 106.817 GPRESSURE: 3904000 61.983 66.9205 67.9274 66.8599 138.042 133.545 -8.33814 64.7411 114.445 PRESSAVG: 3904000 -32.3687 25.7186 53.6955 25.7185 -39.3539 -4.43608 53.6955 -4.436 83.8061 GPRESSAVG: 3904000 -33.5694 27.8743 51.4781 22.8815 -39.5731 -6.14702 55.4779 -4.73593 84.9903 TIMING: 3904000 CPU: 11345.4, 0.00289938/step Wall: 11345.4, 0.00289938/step, 0.8827 hours remaining, 207.304688 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: 3904000 745.3270 2113.0319 1946.0151 113.1653 -206174.6877 17870.1962 0.0000 0.0000 34208.0493 -149178.9029 298.7474 -183386.9521 -149079.0284 299.1726 75.5271 104.8230 557619.8340 4.0278 3.9493 PRESSURE: 3904200 -367.583 147.027 171.405 147.026 -220.534 73.3088 171.404 73.3082 -108.123 GPRESSURE: 3904200 -307.706 145.127 148.658 153.233 -185.24 70.6258 187.684 1.56064 -128.484 PRESSAVG: 3904200 -57.7751 39.6135 52.7938 39.6134 -39.4281 -1.87866 52.7938 -1.87857 69.6902 GPRESSAVG: 3904200 -56.217 38.8314 53.1281 39.2776 -39.4359 -0.313124 52.7786 -1.90518 67.7122 TIMING: 3904200 CPU: 11346, 0.00292102/step Wall: 11346, 0.00292102/step, 0.889126 hours remaining, 207.304688 MB of memory in use. ENERGY: 3904200 753.2056 2098.5235 1950.8310 105.7483 -205848.8204 17495.4421 0.0000 0.0000 34360.3289 -149084.7409 300.0773 -183445.0699 -148981.6821 299.5250 -232.0797 -207.1435 558936.1816 -9.1710 -9.3136 LDB: ============= START OF LOAD BALANCING ============== 11349.5 LDB: ============== END OF LOAD BALANCING =============== 11349.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11349.5 LDB: ============= START OF LOAD BALANCING ============== 11349.8 LDB: Largest compute 4848 load 0.030007 is 25.5% of average load 0.117806 LDB: Average compute 0.001744 is 1.5% of average load 0.117806 LDB: TIME 11349.8 LOAD: AVG 0.117806 MAX 0.182314 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.059 MB LDB: TIME 11349.8 LOAD: AVG 0.117806 MAX 0.182314 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.262 MB LDB: TIME 11349.8 LOAD: AVG 0.117806 MAX 0.182314 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11349.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11349.8 PRESSURE: 3904400 -113.766 -55.5899 10.3893 -55.5919 252.424 123.799 10.3887 123.8 34.8996 GPRESSURE: 3904400 -77.3942 -48.6893 6.93862 -77.6839 239.32 97.5587 10.6941 163.561 114.764 PRESSAVG: 3904400 58.9181 8.3883 -14.2514 8.38832 -102.626 64.3173 -14.2512 64.3173 33.0926 GPRESSAVG: 3904400 58.4757 8.42846 -12.76 9.91234 -103.271 63.3943 -14.5557 62.8301 33.5765 TIMING: 3904400 CPU: 11346.6, 0.00296547/step Wall: 11346.6, 0.00296547/step, 0.90249 hours remaining, 205.761719 MB of memory in use. ENERGY: 3904400 754.0665 2099.4661 1964.1790 112.7260 -206434.5884 18004.8433 0.0000 0.0000 34502.0177 -148997.2896 301.3147 -183499.3074 -148905.8198 300.1973 57.8526 92.2300 557459.2098 -3.5384 -3.7397 PRESSURE: 3904600 12.6553 -23.1131 32.5864 -23.113 -86.853 8.02432 32.5856 8.0232 -47.4195 GPRESSURE: 3904600 73.4822 84.06 36.6521 -62.3663 -96.5489 20.697 68.0122 25.5685 -3.11407 PRESSAVG: 3904600 34.5753 62.7463 -2.78267 62.7463 -15.2785 26.933 -2.78272 26.9329 -8.49858 GPRESSAVG: 3904600 34.4882 64.4637 -3.7576 60.302 -15.3652 26.8538 -2.35964 27.5993 -8.59414 TIMING: 3904600 CPU: 11347.2, 0.00293743/step Wall: 11347.2, 0.00293743/step, 0.893794 hours remaining, 205.761719 MB of memory in use. ENERGY: 3904600 737.0570 2061.3841 1964.7419 111.5883 -206073.8382 17715.0388 0.0000 0.0000 34629.0163 -148855.0117 302.4238 -183484.0280 -148763.1471 300.4956 -40.5391 -8.7269 559490.3119 3.5994 3.5096 PRESSURE: 3904800 50.6562 -127.662 -6.2111 -127.662 105.479 -88.3505 -6.20989 -88.3516 -123.606 GPRESSURE: 3904800 102.544 -69.8536 95.2074 -174.653 85.033 -80.1614 -8.2053 8.99525 -59.7305 PRESSAVG: 3904800 28.8098 -24.2262 -16.0872 -24.2262 -12.4516 -34.9614 -16.0872 -34.9615 -22.4964 GPRESSAVG: 3904800 29.7757 -24.3269 -15.9194 -23.1806 -13.0609 -35.2931 -16.611 -35.5251 -22.7936 TIMING: 3904800 CPU: 11347.8, 0.00294936/step Wall: 11347.8, 0.00294936/step, 0.897261 hours remaining, 205.761719 MB of memory in use. ENERGY: 3904800 739.2097 2135.6745 1980.0420 113.5665 -205582.6364 17693.8994 0.0000 0.0000 34078.0700 -148842.1743 297.6123 -182920.2443 -148741.1620 300.5743 10.8430 42.6154 557667.2601 -2.0460 -2.0263 PRESSURE: 3905000 68.6223 -10.1709 -63.1923 -10.1716 113.869 -21.2071 -63.1922 -21.2055 219.02 GPRESSURE: 3905000 125.685 18.9858 -25.0963 26.8989 160.512 6.21116 -42.4598 -64.9467 222.429 PRESSAVG: 3905000 -17.4622 -26.4051 0.38091 -26.4052 -0.128348 -6.5509 0.380831 -6.55086 54.1532 GPRESSAVG: 3905000 -18.5523 -26.8429 0.458556 -25.9273 1.56189 -5.3564 -0.251291 -5.70612 53.9508 TIMING: 3905000 CPU: 11348.4, 0.00293784/step Wall: 11348.4, 0.00293784/step, 0.893594 hours remaining, 205.761719 MB of memory in use. ENERGY: 3905000 712.6626 2116.1212 1985.2000 112.4030 -205918.6642 17878.9193 0.0000 0.0000 34384.2116 -148729.1466 300.2859 -183113.3581 -148633.8154 301.0669 133.8371 169.5421 557215.8045 12.1876 12.3201 PRESSURE: 3905200 32.8904 -26.7814 -98.1059 -26.7809 39.8718 -162.007 -98.1052 -162.007 -35.4681 GPRESSURE: 3905200 130.389 -63.4782 -82.2699 -25.7945 58.3494 -240.129 -109.33 -141.503 -48.139 PRESSAVG: 3905200 22.7435 -66.4304 -76.6325 -66.4304 -59.3605 -43.1883 -76.6325 -43.1883 -14.6007 GPRESSAVG: 3905200 22.1517 -66.3155 -74.8829 -66.9005 -59.2952 -43.3355 -76.9756 -42.8533 -13.4681 TIMING: 3905200 CPU: 11349, 0.00291704/step Wall: 11349, 0.00291704/step, 0.887105 hours remaining, 205.761719 MB of memory in use. ENERGY: 3905200 763.0872 2122.7854 1985.9857 116.7838 -205808.6015 17747.8718 0.0000 0.0000 34432.8842 -148639.2033 300.7109 -183072.0875 -148541.4987 301.0646 12.4314 46.8664 556618.5739 -17.0725 -16.8705 PRESSURE: 3905400 -97.822 -27.4643 -100.949 -27.4645 13.1963 -173.994 -100.948 -173.995 -214.206 GPRESSURE: 3905400 -46.5897 -140.359 -46.2717 2.95287 1.59239 -174.209 -105.492 -193.625 -145.902 PRESSAVG: 3905400 -14.0172 4.5034 -48.9181 4.50333 48.6273 -38.6315 -48.9181 -38.6315 5.19225 GPRESSAVG: 3905400 -14.0317 2.99079 -50.9093 6.40477 48.564 -40.5286 -49.033 -36.0935 5.74215 TIMING: 3905400 CPU: 11349.5, 0.00291232/step Wall: 11349.5, 0.00291232/step, 0.885507 hours remaining, 205.832031 MB of memory in use. ENERGY: 3905400 749.8784 2199.4526 1948.6279 118.2074 -205710.0261 17690.0283 0.0000 0.0000 34414.1470 -148589.6846 300.5473 -183003.8316 -148495.4100 301.8520 -99.6106 -63.6330 557004.4037 13.2674 13.4248 PRESSURE: 3905600 -346.407 -94.2984 87.683 -94.2975 -291.01 -3.36657 87.6826 -3.3662 -459.102 GPRESSURE: 3905600 -267.202 -91.7919 83.7698 -140.149 -303.832 -49.001 50.9711 18.942 -432.437 PRESSAVG: 3905600 29.9009 7.57104 -21.7414 7.57101 28.3699 18.3649 -21.7413 18.3649 -58.2361 GPRESSAVG: 3905600 29.7732 9.55287 -20.7744 7.33442 27.6503 21.2742 -20.9645 15.901 -58.2807 TIMING: 3905600 CPU: 11350.1, 0.00289075/step Wall: 11350.1, 0.00289075/step, 0.878787 hours remaining, 205.832031 MB of memory in use. ENERGY: 3905600 759.6661 2127.8616 1995.2741 109.4886 -205534.2918 17343.0475 0.0000 0.0000 34535.1869 -148663.7668 301.6044 -183198.9537 -148562.6088 300.9218 -365.5062 -334.4904 559519.1010 0.0115 -0.2857 PRESSURE: 3905800 -72.8169 86.8173 144.081 86.818 262.748 -24.267 144.082 -24.2662 21.9169 GPRESSURE: 3905800 -58.5817 113.725 125.465 85.2951 276.536 3.83721 128.106 -62.6761 79.1952 PRESSAVG: 3905800 26.9259 35.4359 2.76117 35.4359 28.4915 -29.8356 2.76111 -29.8355 -73.432 GPRESSAVG: 3905800 26.2341 31.8155 2.47262 35.375 28.8825 -30.8395 0.956929 -31.211 -73.5493 TIMING: 3905800 CPU: 11350.7, 0.00289578/step Wall: 11350.7, 0.00289578/step, 0.880157 hours remaining, 205.839844 MB of memory in use. ENERGY: 3905800 741.5272 2084.5043 1946.3695 107.7208 -206106.3532 17791.7281 0.0000 0.0000 34565.6053 -148868.8980 301.8700 -183434.5034 -148770.8532 300.7090 70.6160 99.0499 557379.6454 -6.0049 -6.1442 PRESSURE: 3906000 -248.122 55.9163 -159 55.9147 -24.9676 -210.266 -159 -210.268 -33.9266 GPRESSURE: 3906000 -215.004 76.1491 -157.096 96.5152 -22.5608 -172.387 -150.298 -158.464 10.3025 PRESSAVG: 3906000 37.1483 0.759869 -2.84441 0.759785 -23.3069 -68.1338 -2.84436 -68.1337 55.914 GPRESSAVG: 3906000 37.9334 3.09321 -1.52603 -1.2987 -23.0515 -67.6154 -1.8465 -66.3518 54.8069 TIMING: 3906000 CPU: 11351.3, 0.00288906/step Wall: 11351.3, 0.00288906/step, 0.877952 hours remaining, 205.839844 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: 3906000 766.3507 2081.2844 1961.7574 118.6733 -205998.0189 17684.0767 0.0000 0.0000 34470.9854 -148914.8910 301.0437 -183385.8764 -148818.8179 300.8053 -102.3388 -75.7543 557684.4892 23.2518 23.2296 PRESSURE: 3906200 362.436 18.3319 100.873 18.3315 78.1334 -4.25349 100.872 -4.25306 23.6816 GPRESSURE: 3906200 406.567 102.822 113.586 40.1094 131.415 -84.6447 128.543 26.6586 25.1569 PRESSAVG: 3906200 53.8935 -2.90917 15.5796 -2.90912 -26.9492 19.8308 15.5796 19.8309 -38.9538 GPRESSAVG: 3906200 53.4999 -1.13133 14.1507 -2.99089 -27.1393 17.2037 17.4945 21.1752 -38.1827 TIMING: 3906200 CPU: 11351.9, 0.00288675/step Wall: 11351.9, 0.00288675/step, 0.87709 hours remaining, 205.839844 MB of memory in use. ENERGY: 3906200 744.5717 2039.3129 1944.2363 130.7449 -206202.6814 18000.4241 0.0000 0.0000 34412.9196 -148930.4720 300.5366 -183343.3915 -148840.6433 300.4087 154.7503 187.7131 556647.8834 -4.0031 -3.9407 PRESSURE: 3906400 81.8715 -105.11 257.903 -105.109 25.9543 -166.101 257.904 -166.1 -15.6283 GPRESSURE: 3906400 87.1291 -94.1199 255.731 -101.458 53.212 -137.679 217.158 -169.802 56.3879 PRESSAVG: 3906400 62.0577 4.06639 13.0676 4.06635 9.6744 -37.8987 13.0676 -37.8987 -56.7327 GPRESSAVG: 3906400 63.2144 2.7874 12.7011 4.76544 8.67862 -37.0278 11.3234 -39.5251 -56.9387 TIMING: 3906400 CPU: 11352.4, 0.00290427/step Wall: 11352.4, 0.00290427/step, 0.882253 hours remaining, 205.839844 MB of memory in use. ENERGY: 3906400 754.4423 2100.4120 1941.7816 120.3765 -206131.5187 17895.4495 0.0000 0.0000 34244.1944 -149074.8623 299.0631 -183319.0567 -148982.2784 299.2774 30.7325 65.5763 559203.5505 4.9998 4.9848 PRESSURE: 3906600 -307.682 -19.6773 -145.129 -19.6783 -96.7651 -87.9401 -145.129 -87.9371 -207.887 GPRESSURE: 3906600 -292.177 -75.484 -121.069 11.0992 -14.3556 -41.5771 -65.8391 -196.114 -200.369 PRESSAVG: 3906600 -40.332 16.7478 -15.492 16.7478 29.3728 -64.3974 -15.492 -64.3973 25.5124 GPRESSAVG: 3906600 -41.706 18.9331 -15.4441 17.8701 30.7856 -63.6358 -15.61 -65.4733 25.4123 TIMING: 3906600 CPU: 11353, 0.00292468/step Wall: 11353, 0.00292468/step, 0.888291 hours remaining, 205.839844 MB of memory in use. ENERGY: 3906600 721.7183 2130.7300 1945.6264 119.2419 -205883.9941 17594.1918 0.0000 0.0000 34279.0410 -149093.4446 299.3674 -183372.4857 -149001.2496 299.2704 -204.1115 -168.9672 558453.4305 4.8511 4.8306 PRESSURE: 3906800 130.028 19.8059 -100.253 19.8065 -359.745 -17.672 -100.254 -17.6728 87.7756 GPRESSURE: 3906800 161.895 59.6109 -56.654 -24.976 -353.226 16.229 -145.138 -51.1774 145.731 PRESSAVG: 3906800 71.1105 45.6607 -39.4675 45.6607 -9.79286 1.20723 -39.4676 1.20723 -45.5947 GPRESSAVG: 3906800 71.87 43.225 -41.5663 45.7229 -11.453 3.38563 -38.7465 1.43709 -45.0554 TIMING: 3906800 CPU: 11353.6, 0.00290317/step Wall: 11353.6, 0.00290317/step, 0.881595 hours remaining, 205.839844 MB of memory in use. ENERGY: 3906800 755.5004 2089.1656 1954.3810 113.6951 -205970.2027 17668.5118 0.0000 0.0000 34379.3806 -149009.5683 300.2437 -183388.9489 -148910.4351 300.2899 -47.3137 -15.1999 557450.6353 5.2410 5.1205 PRESSURE: 3907000 -180.425 5.40294 -160.261 5.40314 -363.587 -118.392 -160.261 -118.391 -143.524 GPRESSURE: 3907000 -119.362 16.9685 -214 17.8771 -364.538 -56.2866 -101.983 -167.203 -98.9722 PRESSAVG: 3907000 27.3675 -44.5568 -10.5927 -44.5568 -62.256 -51.8695 -10.5926 -51.8696 49.6402 GPRESSAVG: 3907000 25.7472 -45.5869 -9.49719 -43.9982 -60.9204 -51.7513 -9.11312 -52.5858 49.585 TIMING: 3907000 CPU: 11354.2, 0.00292273/step Wall: 11354.2, 0.00292273/step, 0.887373 hours remaining, 205.839844 MB of memory in use. ENERGY: 3907000 728.0182 2046.7433 1960.9090 126.3115 -205590.3287 17396.5570 0.0000 0.0000 34405.3070 -148926.4827 300.4701 -183331.7897 -148829.2232 299.5897 -229.1788 -194.2907 557010.5174 4.9172 4.8039 PRESSURE: 3907200 -27.8707 15.8223 135.945 15.8232 57.9394 -101.726 135.944 -101.727 -146.79 GPRESSURE: 3907200 54.3849 79.9836 27.6356 -5.15204 50.5035 -93.8435 160.176 -118.352 -124.303 PRESSAVG: 3907200 18.1581 4.43839 -7.66664 4.43845 3.81933 -26.6546 -7.66677 -26.6547 13.3775 GPRESSAVG: 3907200 18.6723 6.49781 -5.39807 3.18471 2.13105 -28.9584 -10.8846 -24.3473 14.2259 TIMING: 3907200 CPU: 11354.8, 0.00292704/step Wall: 11354.8, 0.00292704/step, 0.88852 hours remaining, 205.839844 MB of memory in use. ENERGY: 3907200 740.3347 2063.8199 1968.0964 120.8988 -205791.7054 17569.9518 0.0000 0.0000 34410.3691 -148918.2347 300.5143 -183328.6038 -148825.9977 300.4053 -38.9072 -6.4717 556063.9813 11.7850 11.6764 PRESSURE: 3907400 -352.328 -217.473 -53.2414 -217.473 -108.803 101.046 -53.2421 101.046 -127.191 GPRESSURE: 3907400 -291.484 -164.408 -52.7588 -194.165 -139.098 133.436 -55.703 47.905 -80.5001 PRESSAVG: 3907400 -6.96308 -72.8186 15.9942 -72.8185 -19.432 -15.8762 15.9942 -15.8762 28.1562 GPRESSAVG: 3907400 -6.60532 -73.1599 14.7301 -72.8919 -18.7531 -15.3741 15.6208 -18.4613 27.0731 TIMING: 3907400 CPU: 11355.4, 0.00292477/step Wall: 11355.4, 0.00292478/step, 0.887669 hours remaining, 205.839844 MB of memory in use. ENERGY: 3907400 730.4526 2051.0479 1956.3943 106.9781 -205514.6197 17282.9349 0.0000 0.0000 34373.2788 -149013.5331 300.1904 -183386.8120 -148916.7203 300.0792 -196.1072 -170.3606 557073.8987 0.5870 0.5716 PRESSURE: 3907600 112.513 123.852 -166.061 123.852 -229.488 -44.1467 -166.06 -44.1482 119.327 GPRESSURE: 3907600 96.5629 7.53516 -166.531 70.0691 -170.114 -33.9179 -170.152 -60.6156 186.846 PRESSAVG: 3907600 3.87682 -18.9962 -9.92621 -18.9962 -55.3744 45.326 -9.92634 45.3259 29.687 GPRESSAVG: 3907600 3.53195 -19.4274 -9.69616 -19.0676 -54.7983 44.7113 -8.84997 47.994 29.8437 TIMING: 3907600 CPU: 11355.9, 0.00291497/step Wall: 11355.9, 0.00291497/step, 0.884533 hours remaining, 205.839844 MB of memory in use. ENERGY: 3907600 712.4713 2069.6017 1973.2251 106.5680 -205871.5354 17742.5584 0.0000 0.0000 34292.3341 -148974.7769 299.4835 -183267.1110 -148877.5966 299.8345 0.7840 37.7648 557225.7771 -7.2702 -7.1409 PRESSURE: 3907800 198.677 -67.9835 37.8257 -67.9841 78.966 147.868 37.8244 147.867 150.877 GPRESSURE: 3907800 326.525 -48.6015 22.6723 -97.9399 90.8683 160.171 83.3434 170.493 101.778 PRESSAVG: 3907800 -24.2337 25.029 -65.4977 25.029 -4.86887 15.0678 -65.4977 15.0677 80.1251 GPRESSAVG: 3907800 -24.7255 24.3095 -66.5625 26.6834 -4.82643 15.1701 -65.127 14.2375 79.574 TIMING: 3907800 CPU: 11356.5, 0.00291579/step Wall: 11356.5, 0.00291579/step, 0.884618 hours remaining, 205.839844 MB of memory in use. ENERGY: 3907800 756.8402 2095.2853 1928.3209 111.2801 -206579.7121 18244.5686 0.0000 0.0000 34396.1639 -149047.2532 300.3903 -183443.4170 -148941.9493 300.2343 142.8398 173.0572 557297.1337 17.0075 16.6740 PRESSURE: 3908000 193.778 -11.8385 -190.272 -11.8398 -29.4013 -61.8517 -190.273 -61.8516 104.448 GPRESSURE: 3908000 210.171 -28.9536 -216.501 16.4638 0.21347 -141.727 -167.856 -137.5 148.14 PRESSAVG: 3908000 -61.8324 -34.476 -21.8345 -34.476 -38.3493 -18.0197 -21.8345 -18.0197 15.4614 GPRESSAVG: 3908000 -61.4125 -33.5662 -22.3595 -36.6442 -39.8095 -15.8474 -20.7832 -21.1294 16.4037 TIMING: 3908000 CPU: 11357.1, 0.00289303/step Wall: 11357.1, 0.00289303/step, 0.877553 hours remaining, 205.839844 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: 3908000 712.7120 2121.9887 1993.6383 120.3140 -205898.4426 17840.5584 0.0000 0.0000 34064.7815 -149044.4498 297.4962 -183109.2313 -148951.0185 299.5858 89.6081 119.5081 557753.0700 -28.2401 -28.2728 PRESSURE: 3908200 -342.67 -156.627 -48.3584 -156.627 -10.761 7.30113 -48.357 7.30118 -240.108 GPRESSURE: 3908200 -280.083 18.3605 -68.8175 -223.61 -31.6431 16.0842 -119.614 19.6779 -189.645 PRESSAVG: 3908200 -53.7239 -13.4712 -48.0356 -13.4712 48.8775 -20.5454 -48.0355 -20.5454 14.0384 GPRESSAVG: 3908200 -55.0225 -13.3983 -48.0827 -12.6501 50.4723 -23.7915 -48.9643 -17.6199 13.9043 TIMING: 3908200 CPU: 11357.7, 0.00291147/step Wall: 11357.7, 0.00291147/step, 0.882986 hours remaining, 205.839844 MB of memory in use. ENERGY: 3908200 757.4106 2093.8080 1961.6275 113.3052 -205826.3597 17497.7784 0.0000 0.0000 34404.4444 -148997.9855 300.4626 -183402.4299 -148898.8951 300.2720 -197.8463 -167.1236 559033.0382 3.0640 3.1180 LDB: ============= START OF LOAD BALANCING ============== 11361.2 LDB: ============== END OF LOAD BALANCING =============== 11361.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11361.2 LDB: ============= START OF LOAD BALANCING ============== 11361.5 LDB: Largest compute 4848 load 0.028591 is 24.3% of average load 0.117792 LDB: Average compute 0.001751 is 1.5% of average load 0.117792 LDB: TIME 11361.5 LOAD: AVG 0.117792 MAX 0.179764 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 11361.5 LOAD: AVG 0.117792 MAX 0.179764 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: TIME 11361.5 LOAD: AVG 0.117792 MAX 0.179764 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.957 MB LDB: ============== END OF LOAD BALANCING =============== 11361.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11361.5 PRESSURE: 3908400 279.117 148.813 -49.5022 148.814 -124.82 16.265 -49.502 16.2663 93.529 GPRESSURE: 3908400 342.563 70.1341 -66.5653 157.692 -44.8356 24.9313 28.9012 72.3136 39.7889 PRESSAVG: 3908400 -33.5237 24.3602 -43.3948 24.3601 23.9456 22.9564 -43.3949 22.9565 -9.10781 GPRESSAVG: 3908400 -31.504 24.2089 -42.8903 23.9614 22.1053 24.1616 -45.2013 21.0718 -9.24815 TIMING: 3908400 CPU: 11358.3, 0.00297356/step Wall: 11358.3, 0.00297356/step, 0.901649 hours remaining, 208.125000 MB of memory in use. ENERGY: 3908400 769.1087 2082.8491 1965.3361 105.7169 -206206.6767 17959.9424 0.0000 0.0000 34227.3998 -149096.3236 298.9164 -183323.7234 -149003.0172 299.3091 82.6087 112.5055 558526.6932 -6.2286 -6.2156 PRESSURE: 3908600 221.386 80.2613 -37.3157 80.2613 21.96 -72.0268 -37.3154 -72.0262 382.48 GPRESSURE: 3908600 239.991 120.548 8.54175 -21.1099 90.9484 -160.45 -30.9313 -13.7208 388.99 PRESSAVG: 3908600 5.28137 -23.8942 -47.9077 -23.8942 -12.4222 -2.82826 -47.9077 -2.82837 19.1087 GPRESSAVG: 3908600 4.43578 -24.729 -47.3965 -24.2922 -11.8238 -3.01317 -46.6859 0.541742 18.8077 TIMING: 3908600 CPU: 11358.9, 0.00289907/step Wall: 11358.9, 0.00289907/step, 0.878902 hours remaining, 208.625000 MB of memory in use. ENERGY: 3908600 750.8318 2152.6647 1954.7937 121.2284 -206447.8321 18139.4001 0.0000 0.0000 34195.7076 -149133.2057 298.6396 -183328.9133 -149039.5735 298.6281 208.6088 239.9763 558220.3793 3.9893 3.8066 PRESSURE: 3908800 -35.2748 22.0524 27.6035 22.0517 3.93209 -78.087 27.6038 -78.0865 -124.563 GPRESSURE: 3908800 -1.74916 66.8972 19.664 -139.825 21.8496 -128.856 75.9255 -30.0764 -70.6109 PRESSAVG: 3908800 30.1781 -6.5765 33.9117 -6.57644 -19.9674 -22.4692 33.9118 -22.4693 -17.2629 GPRESSAVG: 3908800 29.8652 -7.48657 34.4283 -6.09261 -20.4527 -23.737 33.825 -22.294 -16.8955 TIMING: 3908800 CPU: 11359.4, 0.00292389/step Wall: 11359.4, 0.00292389/step, 0.886263 hours remaining, 208.625000 MB of memory in use. ENERGY: 3908800 751.5962 2093.9298 1959.9800 111.9768 -206069.1794 17733.8585 0.0000 0.0000 34345.4269 -149072.4111 299.9472 -183417.8379 -148973.1707 299.4269 -51.9684 -16.8368 558192.1188 -2.3507 -2.4943 PRESSURE: 3909000 -103.266 108.037 -86.3275 108.037 -43.8528 -19.7871 -86.3273 -19.7881 -155.96 GPRESSURE: 3909000 -55.3342 198.538 -92.9106 92.056 -29.7581 -47.0321 -142.712 -37.2059 -118.288 PRESSAVG: 3909000 -28.296 -46.7387 -38.9852 -46.7387 -24.0296 1.96964 -38.9853 1.96965 54.51 GPRESSAVG: 3909000 -28.1138 -46.4037 -39.569 -45.9272 -25.1126 3.53195 -39.0522 0.172284 55.4501 TIMING: 3909000 CPU: 11360, 0.00289286/step Wall: 11360, 0.00289286/step, 0.876696 hours remaining, 208.625000 MB of memory in use. ENERGY: 3909000 736.9137 2149.8034 1958.5186 125.3972 -206136.4486 17701.3101 0.0000 0.0000 34391.6715 -149072.8341 300.3510 -183464.5056 -148981.9561 299.5085 -101.0262 -67.7934 558693.7521 0.7281 0.7413 PRESSURE: 3909200 -107.582 -200.241 -129.269 -200.242 -3.37495 59.6124 -129.268 59.6125 -44.0126 GPRESSURE: 3909200 -103.804 -125.742 -156.742 -210.878 54.8094 -3.73014 -79.5667 2.36177 -12.9254 PRESSAVG: 3909200 -61.1477 -82.5964 8.99622 -82.5965 48.982 10.628 8.99624 10.628 19.1176 GPRESSAVG: 3909200 -60.8006 -82.2532 7.73544 -84.0428 50.488 11.6656 9.84969 9.57886 17.3944 TIMING: 3909200 CPU: 11360.6, 0.00290312/step Wall: 11360.6, 0.00290312/step, 0.879646 hours remaining, 208.625000 MB of memory in use. ENERGY: 3909200 743.3539 2106.2043 1953.2682 129.8663 -206022.6439 17672.4950 0.0000 0.0000 34345.9122 -149071.5441 299.9514 -183417.4563 -148980.7389 300.1400 -51.6565 -20.6401 558393.8987 2.3173 2.3606 PRESSURE: 3909400 263.206 19.8989 -154.321 19.8982 -309.519 96.9024 -154.321 96.9044 -222.659 GPRESSURE: 3909400 280.106 27.4727 -108.755 34.1981 -295.386 145.53 -125.553 18.4247 -156.373 PRESSAVG: 3909400 -43.4239 5.833 -20.0988 5.83304 20.4998 13.2429 -20.0988 13.2429 -26.1127 GPRESSAVG: 3909400 -42.915 3.3813 -17.9223 7.20243 19.8357 12.9945 -19.481 14.4728 -26.3101 TIMING: 3909400 CPU: 11361.2, 0.00289603/step Wall: 11361.2, 0.00289603/step, 0.877337 hours remaining, 208.625000 MB of memory in use. ENERGY: 3909400 759.6369 2079.2493 1970.8506 118.2807 -205715.8712 17675.1572 0.0000 0.0000 34234.5241 -148878.1724 298.9786 -183112.6965 -148784.4209 300.3924 -89.6573 -57.2177 560081.7527 -16.3456 -16.4631 PRESSURE: 3909600 -224.846 -35.7535 155.981 -35.7534 -270.402 -2.32398 155.982 -2.32481 -120.536 GPRESSURE: 3909600 -171.695 36.7926 231.666 -53.1413 -232.024 -35.3411 153.963 -9.26586 -121.217 PRESSAVG: 3909600 11.1297 30.8475 30.513 30.8476 -22.7641 19.9049 30.513 19.9048 49.6858 GPRESSAVG: 3909600 11.1078 32.0603 31.2129 30.8693 -22.488 20.9561 29.6371 18.3821 49.5415 TIMING: 3909600 CPU: 11361.8, 0.00289984/step Wall: 11361.8, 0.00289984/step, 0.87833 hours remaining, 208.625000 MB of memory in use. ENERGY: 3909600 781.4363 2066.9413 1990.4874 126.6488 -205707.0139 17630.8794 0.0000 0.0000 34228.3519 -148882.2687 298.9247 -183110.6206 -148793.1605 299.3276 -205.2614 -174.9786 560637.3209 12.6838 12.7205 PRESSURE: 3909800 415.534 63.5435 -71.5553 63.5438 414.477 -12.1283 -71.5556 -12.1284 237.541 GPRESSURE: 3909800 394.067 41.0232 -34.961 7.39568 453.749 -58.8454 -107.193 -3.80976 319.605 PRESSAVG: 3909800 24.8823 19.0757 32.9963 19.0757 3.27104 60.792 32.9963 60.792 -10.1684 GPRESSAVG: 3909800 25.7426 19.6887 31.8275 18.0819 3.66814 59.4852 30.5239 59.6981 -10.4339 TIMING: 3909800 CPU: 11362.3, 0.00289883/step Wall: 11362.3, 0.00289883/step, 0.877862 hours remaining, 208.625000 MB of memory in use. ENERGY: 3909800 709.4469 2116.7421 1958.6951 112.5371 -206465.4211 18319.8424 0.0000 0.0000 34350.2755 -148897.8820 299.9895 -183248.1574 -148806.8917 299.3652 355.8507 389.1403 558530.3659 5.9950 6.3256 PRESSURE: 3910000 18.8903 -18.9303 -106.96 -18.931 -30.7741 -105.769 -106.96 -105.769 -19.2087 GPRESSURE: 3910000 50.983 -2.9312 -131.518 -39.862 81.706 -157.342 -68.7386 -104.333 -64.7612 PRESSAVG: 3910000 -16.3288 24.9848 -42.9003 24.9848 -5.12431 73.544 -42.9003 73.544 34.0868 GPRESSAVG: 3910000 -16.2467 25.3622 -44.4735 24.7139 -6.25149 72.3883 -40.8087 76.0628 34.1191 TIMING: 3910000 CPU: 11362.9, 0.00288419/step Wall: 11362.9, 0.00288419/step, 0.873269 hours remaining, 208.625000 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: 3910000 743.2550 2091.3114 1940.3636 113.3722 -206120.0571 17810.2485 0.0000 0.0000 34282.8843 -149138.6221 299.4010 -183421.5064 -149039.8067 299.9675 -10.3642 22.6426 559616.7337 4.2112 3.8736 PRESSURE: 3910200 138.803 34.6209 -106.058 34.62 -45.2366 72.3916 -106.057 72.3914 156.413 GPRESSURE: 3910200 156.257 -87.6894 -97.6446 58.2711 70.4808 96.0888 -124.2 68.7589 120.391 PRESSAVG: 3910200 -22.8574 15.7762 -5.87382 15.7761 15.2068 20.2828 -5.87389 20.2828 -15.6717 GPRESSAVG: 3910200 -23.7971 14.7464 -5.37037 17.4316 17.4633 20.8796 -5.59255 19.3849 -17.0961 TIMING: 3910200 CPU: 11363.5, 0.00289833/step Wall: 11363.5, 0.00289833/step, 0.877389 hours remaining, 208.695312 MB of memory in use. ENERGY: 3910200 745.0744 2138.2943 1927.3317 119.9989 -206212.5184 17975.0287 0.0000 0.0000 34233.9340 -149072.8565 298.9735 -183306.7905 -148982.1672 299.8590 83.3264 115.7095 558217.9106 -7.7741 -7.8100 PRESSURE: 3910400 -52.5723 89.9961 -93.1135 89.9964 -102.395 -122.45 -93.1131 -122.45 107.633 GPRESSURE: 3910400 -38.2359 75.6644 -15.8623 21.6611 -49.953 -200.796 -187.316 -98.4477 141.82 PRESSAVG: 3910400 -15.6371 52.8836 19.3453 52.8836 -30.4523 -29.9654 19.3453 -29.9654 39.5692 GPRESSAVG: 3910400 -16.0636 52.9822 19.0932 53.2546 -32.293 -31.2238 18.3992 -29.4441 41.9283 TIMING: 3910400 CPU: 11364.1, 0.00293122/step Wall: 11364.1, 0.00293122/step, 0.887183 hours remaining, 208.695312 MB of memory in use. ENERGY: 3910400 744.7063 2089.6250 1954.5597 126.7387 -206415.8485 17990.9929 0.0000 0.0000 34292.5650 -149216.6608 299.4855 -183509.2258 -149122.3955 299.6907 -15.7782 17.8771 558039.9053 -2.1734 -2.1428 PRESSURE: 3910600 -79.3632 -48.0175 3.06113 -48.0182 34.163 60.4482 3.06266 60.4473 -33.7097 GPRESSURE: 3910600 30.5046 0.766856 -44.5011 -92.1973 65.123 48.0954 21.0702 107.235 -71.296 PRESSAVG: 3910600 -21.3329 -22.0717 -22.3592 -22.0718 43.7729 8.16802 -22.3591 8.16806 14.0983 GPRESSAVG: 3910600 -21.105 -22.1588 -23.5098 -22.2337 44.1471 9.36478 -21.1261 8.19553 13.1715 TIMING: 3910600 CPU: 11364.7, 0.00290883/step Wall: 11364.7, 0.00290883/step, 0.880245 hours remaining, 208.695312 MB of memory in use. ENERGY: 3910600 732.0305 2136.3805 1950.3334 116.5954 -206193.7201 17729.3639 0.0000 0.0000 34267.8737 -149261.1426 299.2699 -183529.0164 -149161.1165 299.4028 -26.3033 8.1105 557670.9267 12.1795 12.0712 PRESSURE: 3910800 161.623 300.888 122.628 300.89 175.427 -101.446 122.626 -101.447 -173.948 GPRESSURE: 3910800 225.138 298.874 62.3127 189.249 161.931 -227.481 80.9755 -26.1148 -120.653 PRESSAVG: 3910800 30.1727 56.8351 -48.5647 56.835 -33.0205 32.7925 -48.5647 32.7925 -30.441 GPRESSAVG: 3910800 30.9233 56.1557 -48.7806 56.3673 -33.1977 32.8884 -48.4278 32.8832 -30.8012 TIMING: 3910800 CPU: 11365.3, 0.00292828/step Wall: 11365.3, 0.00292828/step, 0.885969 hours remaining, 208.695312 MB of memory in use. ENERGY: 3910800 718.0529 2143.7285 1954.6726 102.5327 -206454.4738 17995.8682 0.0000 0.0000 34328.5172 -149211.1018 299.7995 -183539.6190 -149114.9565 299.5508 54.3676 88.8054 557514.9851 -11.0963 -11.0252 PRESSURE: 3911000 -291.634 -71.6805 -59.3472 -71.6795 -145.891 210.447 -59.3462 210.444 -85.7059 GPRESSURE: 3911000 -242.709 -113.217 28.0129 -112.388 -103.205 209.607 -75.4488 258.98 -70.827 PRESSAVG: 3911000 103.804 65.1704 4.32357 65.1705 -11.024 59.0201 4.32361 59.0201 -94.0418 GPRESSAVG: 3911000 102.841 66.5317 5.98032 64.4283 -10.8449 60.3452 4.05594 57.4796 -93.5488 TIMING: 3911000 CPU: 11365.8, 0.00290008/step Wall: 11365.8, 0.00290008/step, 0.877274 hours remaining, 208.695312 MB of memory in use. ENERGY: 3911000 734.8655 2136.1972 1955.8392 107.5580 -206054.5686 17525.9823 0.0000 0.0000 34281.0752 -149313.0512 299.3852 -183594.1264 -149215.8882 299.0710 -174.4103 -138.9137 557531.9559 -0.4208 -0.5176 PRESSURE: 3911200 -72.0797 -93.4249 -159.113 -93.4253 65.5141 225.851 -159.113 225.852 -335.578 GPRESSURE: 3911200 -49.5596 -85.2406 -214.627 -65.5008 69.095 105.871 -99.716 248.536 -268.153 PRESSAVG: 3911200 14.1521 18.7271 4.87727 18.7272 -15.4448 30.8155 4.87723 30.8153 19.6437 GPRESSAVG: 3911200 14.7614 17.4501 5.1707 19.2611 -16.0653 30.9595 4.16838 31.3315 19.4195 TIMING: 3911200 CPU: 11366.4, 0.00288118/step Wall: 11366.4, 0.00288118/step, 0.871398 hours remaining, 208.695312 MB of memory in use. ENERGY: 3911200 752.3337 2081.6849 1947.1442 122.1161 -205966.3863 17533.0669 0.0000 0.0000 34003.5885 -149526.4521 296.9618 -183530.0406 -149432.3126 299.2611 -114.0479 -82.8725 557030.0575 6.1170 6.0386 PRESSURE: 3911400 12.0481 -43.5846 -123.536 -43.5853 106.394 -53.8318 -123.538 -53.832 -47.4439 GPRESSURE: 3911400 59.837 -9.46889 -31.7736 -60.7835 139.995 -23.1511 -35.1393 -33.5987 -40.2957 PRESSAVG: 3911400 30.2103 -8.2429 -8.21 -8.24283 -4.71025 5.69389 -8.20991 5.69397 13.3568 GPRESSAVG: 3911400 30.0884 -8.11452 -7.88588 -8.33923 -4.28521 3.30622 -7.82005 9.42049 13.2035 TIMING: 3911400 CPU: 11367, 0.00290946/step Wall: 11367, 0.00290946/step, 0.879789 hours remaining, 208.695312 MB of memory in use. ENERGY: 3911400 751.6969 2114.4036 1938.2870 117.6705 -206447.3847 17873.0902 0.0000 0.0000 34319.0715 -149333.1650 299.7170 -183652.2365 -149241.3683 298.9198 23.6661 53.1788 557810.4096 12.9523 13.0022 PRESSURE: 3911600 118.269 -116.09 -39.6977 -116.091 289.048 107.529 -39.6981 107.529 181.64 GPRESSURE: 3911600 160.067 -93.8822 -30.9607 -105.275 330.905 95.3953 -81.3759 69.7052 209.67 PRESSAVG: 3911600 20.1104 -47.4715 -82.1949 -47.4715 -1.30466 58.2939 -82.1948 58.294 -24.4335 GPRESSAVG: 3911600 19.6931 -45.7134 -81.3699 -49.3549 -0.000457956 60.2711 -80.659 54.1032 -25.3689 TIMING: 3911600 CPU: 11367.6, 0.00291106/step Wall: 11367.6, 0.00291106/step, 0.88011 hours remaining, 208.695312 MB of memory in use. ENERGY: 3911600 733.7707 2159.8591 1949.2509 94.8591 -206579.4637 18056.1978 0.0000 0.0000 34406.7080 -149178.8181 300.4823 -183585.5261 -149084.9374 299.2084 196.3191 233.5473 556864.2093 -1.8759 -1.8921 PRESSURE: 3911800 -0.160344 22.6353 37.9504 22.6347 104.169 -98.5888 37.9505 -98.5899 109.828 GPRESSURE: 3911800 81.1182 45.3136 76.8939 13.4122 143.832 -50.077 14.7745 -156.843 101.136 PRESSAVG: 3911800 28.0373 1.61487 -48.9561 1.61491 11.031 43.2652 -48.956 43.2652 -14.8505 GPRESSAVG: 3911800 28.7864 -0.334598 -48.1755 1.24257 10.4556 38.7386 -50.6988 45.8286 -14.9784 TIMING: 3911800 CPU: 11368.2, 0.00291055/step Wall: 11368.2, 0.00291055/step, 0.879795 hours remaining, 208.695312 MB of memory in use. ENERGY: 3911800 719.0522 2096.7003 1957.6166 116.7314 -206082.7808 17943.0717 0.0000 0.0000 33890.4917 -149359.1169 295.9741 -183249.6086 -149267.7257 298.9693 71.2788 108.6954 558182.2852 8.0726 8.0879 PRESSURE: 3912000 24.0861 212.543 44.8716 212.543 -45.8736 64.5495 44.8718 64.5487 183.188 GPRESSURE: 3912000 99.0481 108.349 23.7729 235.709 -13.8457 128.118 22.1049 75.4608 171.739 PRESSAVG: 3912000 -46.0227 61.3047 52.994 61.3048 42.1814 74.4981 52.994 74.4981 -3.98889 GPRESSAVG: 3912000 -46.1613 63.1637 51.439 61.6624 40.3836 76.4468 53.4071 72.9299 -2.80869 TIMING: 3912000 CPU: 11368.7, 0.00289125/step Wall: 11368.7, 0.00289125/step, 0.873799 hours remaining, 208.695312 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: 3912000 706.2977 2188.6993 1975.5938 110.5361 -206436.2358 18019.1402 0.0000 0.0000 34319.4048 -149116.5638 299.7199 -183435.9686 -149027.4941 298.7954 53.8000 85.6472 557837.6569 -2.6101 -2.8622 PRESSURE: 3912200 -61.6717 93.072 58.6862 93.0712 155.869 -259.231 58.6876 -259.231 -120 GPRESSURE: 3912200 -30.6014 93.5935 10.0196 108.623 198.064 -267.953 13.2365 -266.631 -89.8319 PRESSAVG: 3912200 26.4347 -12.6656 -3.99863 -12.6656 13.5978 -9.033 -3.99866 -9.03306 -46.1733 GPRESSAVG: 3912200 27.1375 -14.8587 -3.39701 -9.2325 14.6427 -9.60847 -5.57972 -7.84129 -47.8939 TIMING: 3912200 CPU: 11369.3, 0.00287644/step Wall: 11369.3, 0.00287644/step, 0.869163 hours remaining, 208.695312 MB of memory in use. ENERGY: 3912200 760.7079 2102.3620 1956.5524 111.4159 -206067.5348 17828.1299 0.0000 0.0000 34233.0270 -149075.3397 298.9655 -183308.3667 -148978.5909 298.6565 -8.6010 25.8769 558791.8162 -2.0469 -2.0379 LDB: ============= START OF LOAD BALANCING ============== 11372.8 LDB: ============== END OF LOAD BALANCING =============== 11372.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11372.8 LDB: ============= START OF LOAD BALANCING ============== 11373.1 LDB: Largest compute 4848 load 0.029494 is 25.0% of average load 0.117794 LDB: Average compute 0.001749 is 1.5% of average load 0.117794 LDB: TIME 11373.1 LOAD: AVG 0.117794 MAX 0.180441 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.832 MB LDB: TIME 11373.1 LOAD: AVG 0.117794 MAX 0.180441 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 11373.1 LOAD: AVG 0.117794 MAX 0.180441 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: ============== END OF LOAD BALANCING =============== 11373.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11373.1 PRESSURE: 3912400 177.518 4.79841 209.712 4.79859 -114.933 123.275 209.713 123.275 -206.73 GPRESSURE: 3912400 192.505 -106.565 176.327 61.3357 -101.177 53.6979 232.36 50.8667 -133.808 PRESSAVG: 3912400 58.3541 15.6725 -1.08435 15.6725 8.74712 -12.4856 -1.08429 -12.4855 -40.5995 GPRESSAVG: 3912400 57.2019 15.2885 -1.40412 14.2181 8.19772 -11.0358 0.537268 -14.9985 -39.3083 TIMING: 3912400 CPU: 11369.9, 0.00295766/step Wall: 11369.9, 0.00295766/step, 0.893541 hours remaining, 207.605469 MB of memory in use. ENERGY: 3912400 733.7871 2065.3899 1979.3660 105.4883 -206027.0665 17754.4829 0.0000 0.0000 34128.4078 -149260.1446 298.0519 -183388.5523 -149159.7161 299.0785 -48.0484 -14.1600 558752.3321 8.8339 8.6971 PRESSURE: 3912600 13.7698 -24.8925 33.8297 -24.8917 -350.232 -90.7817 33.8298 -90.7818 -150.826 GPRESSURE: 3912600 34.4332 -72.2602 65.7514 -69.7044 -313.891 -181.81 68.4585 -35.778 -116.242 PRESSAVG: 3912600 -22.5975 -18.1161 46.1227 -18.1161 -57.0987 39.165 46.1227 39.1651 55.6557 GPRESSAVG: 3912600 -20.9388 -18.1994 47.1059 -19.449 -57.8877 38.8561 45.9575 40.9011 54.6756 TIMING: 3912600 CPU: 11370.5, 0.00291095/step Wall: 11370.5, 0.00291095/step, 0.879269 hours remaining, 207.808594 MB of memory in use. ENERGY: 3912600 786.8375 2125.3014 1940.1307 109.8785 -206065.4022 17646.2090 0.0000 0.0000 34207.3723 -149249.6727 298.7415 -183457.0450 -149153.0118 298.1820 -162.4294 -131.8999 557725.1646 -8.0135 -8.0503 PRESSURE: 3912800 -357.057 47.6227 -5.77829 47.6232 -407.406 40.5732 -5.77873 40.5726 -270.108 GPRESSURE: 3912800 -336.498 -62.8248 8.35327 139.35 -399.01 41.8846 -25.8271 62.6908 -204.845 PRESSAVG: 3912800 -8.28052 -32.6257 -3.7916 -32.6256 -30.0529 60.1103 -3.79171 60.1103 72.8659 GPRESSAVG: 3912800 -9.68923 -32.2121 -4.39597 -31.3125 -30.3324 60.3575 -3.60539 59.8917 73.7682 TIMING: 3912800 CPU: 11371.1, 0.00290011/step Wall: 11371.1, 0.00290011/step, 0.875833 hours remaining, 207.808594 MB of memory in use. ENERGY: 3912800 734.6716 2065.9898 1952.7083 114.5313 -205703.6167 17396.7698 0.0000 0.0000 34106.3864 -149332.5594 297.8596 -183438.9458 -149234.1179 298.9275 -344.8571 -313.4512 559890.3785 11.5108 11.2489 PRESSURE: 3913000 208.34 39.7869 -124.346 39.7865 80.4077 -196.052 -124.346 -196.051 -104.954 GPRESSURE: 3913000 268.775 39.2458 -195.106 43.0755 69.6093 -207.698 -99.3566 -197.871 -58.7097 PRESSAVG: 3913000 -55.2293 -5.68297 17.1281 -5.68308 1.50583 38.6431 17.1281 38.6431 59.0601 GPRESSAVG: 3913000 -55.1889 -5.75924 17.4673 -6.25207 2.01586 38.4782 15.2336 37.6723 58.4657 TIMING: 3913000 CPU: 11371.6, 0.00288403/step Wall: 11371.6, 0.00288403/step, 0.870817 hours remaining, 207.808594 MB of memory in use. ENERGY: 3913000 741.8908 2071.0693 1961.5165 117.4374 -206308.0000 17962.9389 0.0000 0.0000 34234.0412 -149219.1059 298.9744 -183453.1471 -149124.7977 298.3736 61.2647 93.2248 558112.5749 1.7789 1.7642 PRESSURE: 3913200 1.33062 19.5141 -103.81 19.5149 -176.681 -73.5856 -103.811 -73.5833 49.7915 GPRESSURE: 3913200 1.76934 80.7372 -151.875 36.5666 -148.675 -90.9611 -4.74122 -9.74094 110.429 PRESSAVG: 3913200 -13.4366 -6.31785 -12.7323 -6.31789 12.9491 -24.3243 -12.7323 -24.3243 35.4621 GPRESSAVG: 3913200 -13.9364 -6.69289 -13.1721 -7.33724 13.4878 -24.0304 -11.4579 -25.0702 34.6286 TIMING: 3913200 CPU: 11372.2, 0.00289044/step Wall: 11372.2, 0.00289044/step, 0.872593 hours remaining, 207.808594 MB of memory in use. ENERGY: 3913200 733.1487 2118.9828 1950.5463 115.4219 -206079.9621 17783.9768 0.0000 0.0000 34180.6669 -149197.2188 298.5083 -183377.8857 -149097.8976 299.2324 -41.8529 -12.1591 558173.2408 11.6582 11.3933 PRESSURE: 3913400 -297.692 41.4065 100.987 41.4063 159.222 79.6137 100.987 79.614 51.7069 GPRESSURE: 3913400 -280.979 44.4014 91.8693 -20.9604 213.386 55.3732 71.3736 169.303 69.6559 PRESSAVG: 3913400 7.3475 35.57 75.1928 35.5699 -23.8465 30.4014 75.1927 30.4013 -14.4837 GPRESSAVG: 3913400 7.01429 37.1366 74.4551 35.7151 -24.2883 30.9362 78.2788 32.2487 -13.9547 TIMING: 3913400 CPU: 11372.8, 0.00289285/step Wall: 11372.8, 0.00289285/step, 0.87316 hours remaining, 207.808594 MB of memory in use. ENERGY: 3913400 753.6394 2095.8963 1938.0413 113.5466 -206216.9756 17754.1754 0.0000 0.0000 34401.6169 -149160.0597 300.4379 -183561.6766 -149057.2903 298.5859 -28.9211 0.6878 556709.6615 -10.3276 -10.4096 PRESSURE: 3913600 -100.872 2.66601 46.7732 2.66693 -177.695 -91.6923 46.7736 -91.6921 -342.231 GPRESSURE: 3913600 -54.6534 -8.27047 136.237 -33.2564 -177.633 -128.448 39.3019 -119.339 -303.926 PRESSAVG: 3913600 -30.7821 14.507 17.0379 14.507 19.4223 27.1138 17.0379 27.1138 8.40112 GPRESSAVG: 3913600 -29.5795 12.5846 15.859 17.8467 19.0868 24.9267 15.7457 28.166 7.79555 TIMING: 3913600 CPU: 11373.4, 0.00289659/step Wall: 11373.4, 0.00289659/step, 0.874127 hours remaining, 207.871094 MB of memory in use. ENERGY: 3913600 730.9902 2143.3361 1952.3324 112.0236 -205522.6688 17382.7924 0.0000 0.0000 34294.1536 -148907.0404 299.4994 -183201.1941 -148810.4671 299.6854 -206.9323 -178.7374 556924.4958 -0.9862 -0.8990 PRESSURE: 3913800 -84.1856 121.159 -63.7924 121.158 53.9695 -135.49 -63.7928 -135.49 -20.7521 GPRESSURE: 3913800 -84.3272 85.6104 20.4397 161.495 93.9394 -22.3371 -183.939 -211.117 36.3938 PRESSAVG: 3913800 -47.4201 52.1437 -26.1116 52.1436 34.413 -47.2446 -26.1116 -47.2448 33.4884 GPRESSAVG: 3913800 -48.5968 51.6362 -24.7233 50.435 34.8205 -45.8423 -26.8645 -48.9492 33.7978 TIMING: 3913800 CPU: 11374, 0.00288819/step Wall: 11374, 0.00288819/step, 0.871431 hours remaining, 207.871094 MB of memory in use. ENERGY: 3913800 778.4161 2131.3444 1912.9947 117.3699 -205958.0814 17813.1671 0.0000 0.0000 34396.6418 -148808.1474 300.3944 -183204.7892 -148722.0633 300.0645 -16.9894 15.3353 557887.2258 6.8271 6.6738 PRESSURE: 3914000 -93.066 -71.1001 39.6168 -71.1007 -112.811 -57.1338 39.6182 -57.1353 -136.723 GPRESSURE: 3914000 -75.4986 -28.2509 7.60424 -28.953 -80.6186 -53.4905 -0.870042 -174.539 -86.8365 PRESSAVG: 3914000 -27.1918 32.4895 -39.4761 32.4895 14.3476 1.30748 -39.4761 1.30751 30.9629 GPRESSAVG: 3914000 -26.0293 33.0635 -38.9104 32.3421 13.3562 2.43743 -39.6992 -0.419795 30.2964 TIMING: 3914000 CPU: 11374.5, 0.00289774/step Wall: 11374.5, 0.00289774/step, 0.874151 hours remaining, 207.871094 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: 3914000 748.1282 2080.2333 1959.2274 120.0989 -205631.4023 17644.2819 0.0000 0.0000 34301.0823 -148778.3504 299.5599 -183079.4327 -148680.6042 300.2386 -114.1999 -80.9846 557340.2977 6.0396 5.8744 PRESSURE: 3914200 390.408 -101.491 66.8966 -101.491 41.6593 -54.1808 66.8979 -54.1816 51.818 GPRESSURE: 3914200 410.024 -104.066 106.468 -138.503 94.9755 -111.174 61.0344 -101.983 80.8949 PRESSAVG: 3914200 0.235356 -40.2914 37.8476 -40.2914 21.2758 10.6782 37.8476 10.6783 -3.29272 GPRESSAVG: 3914200 -0.171308 -40.1443 36.94 -40.0597 22.0844 9.39369 39.8068 13.4904 -3.74343 TIMING: 3914200 CPU: 11375.1, 0.00290746/step Wall: 11375.1, 0.00290746/step, 0.876922 hours remaining, 207.871094 MB of memory in use. ENERGY: 3914200 737.4448 2132.8107 1961.3781 113.2758 -206172.5885 17832.8987 0.0000 0.0000 34502.4427 -148892.3377 301.3184 -183394.7805 -148793.3161 300.3602 161.2952 195.2981 553969.5378 6.0728 6.0565 PRESSURE: 3914400 71.369 -57.9241 111.587 -57.924 78.402 -77.7207 111.587 -77.7212 146.593 GPRESSURE: 3914400 92.3905 -59.4343 89.5125 -127.392 75.6568 -218.472 136.328 2.64711 219.737 PRESSAVG: 3914400 2.97887 22.3023 -5.81532 22.3023 -11.2337 -59.2903 -5.81525 -59.2902 18.468 GPRESSAVG: 3914400 3.25286 23.7506 -5.15075 19.8443 -13.1308 -57.8801 -6.61586 -59.6863 20.7007 TIMING: 3914400 CPU: 11375.7, 0.00290975/step Wall: 11375.7, 0.00290975/step, 0.877452 hours remaining, 207.871094 MB of memory in use. ENERGY: 3914400 800.6050 2106.6771 1958.5225 113.7932 -205827.7262 17803.5559 0.0000 0.0000 34165.9513 -148878.6213 298.3798 -183044.5726 -148779.5861 300.5496 98.7881 129.2613 555676.5852 3.4044 3.6076 PRESSURE: 3914600 102.628 42.6265 -133.018 42.6271 -151.285 -46.8117 -133.018 -46.8107 91.2037 GPRESSURE: 3914600 166.96 13.854 -152.089 13.2172 -126.668 -80.1922 -47.9117 1.6108 100.976 PRESSAVG: 3914600 -2.24671 70.2473 45.8614 70.2474 3.43064 -35.718 45.8613 -35.7181 15.4944 GPRESSAVG: 3914600 -2.34149 70.426 44.8182 71.5671 5.21398 -37.4552 46.1849 -35.9183 13.5737 TIMING: 3914600 CPU: 11376.3, 0.0029199/step Wall: 11376.3, 0.0029199/step, 0.880351 hours remaining, 207.871094 MB of memory in use. ENERGY: 3914600 747.7443 2128.3589 1944.9625 123.5692 -205871.8607 17809.4333 0.0000 0.0000 34331.0003 -148786.7922 299.8212 -183117.7925 -148689.1421 300.3887 14.1824 47.0895 558049.6166 5.5595 5.4821 PRESSURE: 3914800 -257.948 101.344 66.9647 101.342 -107.885 69.5897 66.9635 69.5904 174.404 GPRESSURE: 3914800 -146.663 87.3718 63.8718 148.032 -72.5058 92.4826 107.152 48.2514 132.372 PRESSAVG: 3914800 6.26027 18.5507 54.956 18.5507 17.7065 -8.44134 54.956 -8.44139 10.6273 GPRESSAVG: 3914800 5.76702 18.039 55.6935 19.0022 17.3775 -9.09709 54.9611 -7.18423 11.1205 TIMING: 3914800 CPU: 11376.9, 0.00291392/step Wall: 11376.9, 0.00291392/step, 0.878384 hours remaining, 207.871094 MB of memory in use. ENERGY: 3914800 806.9035 2051.4754 1960.1300 112.6143 -206094.2346 17979.8256 0.0000 0.0000 34386.2028 -148797.0830 300.3033 -183183.2858 -148700.9786 300.9423 -63.8095 -28.9323 557945.1286 11.5314 11.4217 PRESSURE: 3915000 204.826 82.7995 -96.0721 82.7983 -110.094 -17.2165 -96.0712 -17.2159 -96.7493 GPRESSURE: 3915000 212.89 -27.5873 -64.5521 63.6855 -25.0928 -20.151 -134.142 32.3732 -98.9419 PRESSAVG: 3915000 4.37027 -37.1111 28.1895 -37.111 -9.00241 16.9602 28.1894 16.9601 -14.9062 GPRESSAVG: 3915000 3.72335 -39.217 28.4141 -35.3642 -8.45419 16.591 26.5393 16.6164 -14.1054 TIMING: 3915000 CPU: 11377.5, 0.00291783/step Wall: 11377.5, 0.00291783/step, 0.879402 hours remaining, 207.871094 MB of memory in use. ENERGY: 3915000 751.6974 2107.6895 1935.5956 112.1873 -206132.7841 17954.3907 0.0000 0.0000 34398.3303 -148872.8933 300.4092 -183271.2236 -148773.5581 300.3902 -0.6724 29.6184 558523.2833 -6.5128 -6.2787 PRESSURE: 3915200 -265.006 -168.951 -193.694 -168.951 -24.8178 68.0472 -193.692 68.0479 -142.395 GPRESSURE: 3915200 -188.186 -202.675 -191.134 -100.2 -26.6914 122.966 -239.44 27.2225 -129.84 PRESSAVG: 3915200 0.683523 -12.4937 18.5623 -12.4935 13.0581 53.8014 18.5622 53.8014 -52.6631 GPRESSAVG: 3915200 1.75544 -10.8974 17.6163 -14.3952 13.094 54.5578 20.2954 52.0033 -53.2259 TIMING: 3915200 CPU: 11378, 0.00289229/step Wall: 11378, 0.00289229/step, 0.871544 hours remaining, 207.871094 MB of memory in use. ENERGY: 3915200 785.2752 2122.4193 1939.1861 122.2925 -205910.7324 17703.9064 0.0000 0.0000 34373.3351 -148864.3178 300.1909 -183237.6529 -148767.4620 300.4938 -144.0729 -114.9058 559247.3275 -12.9738 -12.7921 PRESSURE: 3915400 -238.63 91.7499 -82.0281 91.7492 -89.5164 41.7554 -82.0289 41.7537 -137.606 GPRESSURE: 3915400 -232.797 121.323 -86.3561 56.9096 -11.4924 91.7644 -67.2527 48.3927 -129.162 PRESSAVG: 3915400 -19.6428 -30.2762 -4.4596 -30.2761 -14.7765 36.0593 -4.45955 36.0592 2.66525 GPRESSAVG: 3915400 -20.3157 -30.8928 -3.3478 -29.7486 -14.9762 38.2478 -4.26407 34.8518 3.04441 TIMING: 3915400 CPU: 11378.6, 0.00286887/step Wall: 11378.6, 0.00286887/step, 0.864327 hours remaining, 207.871094 MB of memory in use. ENERGY: 3915400 771.9506 2126.6049 1940.1007 107.8256 -205565.6713 17447.0505 0.0000 0.0000 34369.9864 -148802.1526 300.1616 -183172.1390 -148707.2439 300.6286 -155.2508 -124.4836 557613.9771 -10.5847 -10.7492 PRESSURE: 3915600 -230.039 17.5427 85.5704 17.5423 -57.5182 79.5003 85.5695 79.5004 -435.421 GPRESSURE: 3915600 -207.375 6.8706 106.051 26.8497 14.8321 119.726 154.118 48.0158 -432.346 PRESSAVG: 3915600 -60.2448 -18.6724 -51.9871 -18.6723 -28.1232 -11.12 -51.9872 -11.1198 30.9494 GPRESSAVG: 3915600 -61.0899 -18.2419 -51.8024 -19.6569 -28.3453 -13.8429 -51.3895 -9.54871 31.4985 TIMING: 3915600 CPU: 11379.2, 0.00288541/step Wall: 11379.2, 0.00288541/step, 0.869148 hours remaining, 207.871094 MB of memory in use. ENERGY: 3915600 765.3432 2120.8294 1946.2412 113.9364 -205439.6556 17393.8271 0.0000 0.0000 34330.5497 -148768.9286 299.8172 -183099.4783 -148677.1564 300.1608 -240.9928 -208.2963 558447.9929 -19.1395 -19.3122 PRESSURE: 3915800 -189.36 -78.145 54.4302 -78.144 -42.2132 111.427 54.4289 111.427 -181.15 GPRESSURE: 3915800 -192.134 -51.9211 89.0151 -143.294 25.5473 34.5262 35.5668 130.735 -152.29 PRESSAVG: 3915800 43.9388 -31.1846 46.5846 -31.1847 -10.1563 -17.614 46.5846 -17.614 -28.5276 GPRESSAVG: 3915800 45.1689 -31.5281 47.2249 -30.4627 -10.832 -17.6496 45.6397 -18.6355 -29.4911 TIMING: 3915800 CPU: 11379.8, 0.00290509/step Wall: 11379.8, 0.00290509/step, 0.874917 hours remaining, 207.871094 MB of memory in use. ENERGY: 3915800 770.5702 2143.9160 1929.1566 127.5952 -205593.3401 17512.3665 0.0000 0.0000 34516.3208 -148593.4148 301.4396 -183109.7356 -148495.2781 300.6411 -137.5744 -106.2923 556590.2144 1.7517 1.6153 PRESSURE: 3916000 -94.773 121.173 36.1943 121.174 125.361 -32.9127 36.1951 -32.9123 183.738 GPRESSURE: 3916000 -51.6592 82.1381 56.7376 132.833 134.685 -43.5799 27.3916 -18.9482 236.298 PRESSAVG: 3916000 6.81512 7.58312 -10.6935 7.58313 -67.4181 -22.3673 -10.6936 -22.3674 27.0333 GPRESSAVG: 3916000 5.95093 5.89833 -10.9002 9.0666 -67.2198 -21.7236 -12.2505 -22.1229 27.5679 TIMING: 3916000 CPU: 11380.3, 0.00290178/step Wall: 11380.3, 0.00290178/step, 0.873758 hours remaining, 207.871094 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: 3916000 730.2548 2102.6436 1952.3486 114.4523 -205967.3575 17935.3855 0.0000 0.0000 34524.9076 -148607.3652 301.5146 -183132.2728 -148510.7476 300.6881 71.4423 106.4411 557410.5351 -11.1899 -11.2337 PRESSURE: 3916200 -167.849 32.3537 124.41 32.3532 -327.359 32.2546 124.41 32.2543 -186.976 GPRESSURE: 3916200 -113.857 -11.5669 111.47 159.075 -319.515 124.423 137.503 77.2305 -129.566 PRESSAVG: 3916200 -1.74377 34.1473 8.27644 34.1473 25.9028 -40.3704 8.27636 -40.3704 -64.0243 GPRESSAVG: 3916200 -0.873127 34.6886 6.95734 34.0272 25.5585 -40.0349 10.0146 -39.6624 -64.2192 TIMING: 3916200 CPU: 11380.9, 0.00288049/step Wall: 11380.9, 0.00288049/step, 0.867188 hours remaining, 207.871094 MB of memory in use. ENERGY: 3916200 757.3760 2121.4268 1950.2170 107.5445 -205360.4629 17347.2527 0.0000 0.0000 34429.2509 -148647.3949 300.6792 -183076.6458 -148557.7504 300.0127 -227.3946 -187.6460 557606.0001 -13.2884 -13.1780 LDB: ============= START OF LOAD BALANCING ============== 11384.4 LDB: ============== END OF LOAD BALANCING =============== 11384.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11384.4 LDB: ============= START OF LOAD BALANCING ============== 11384.7 LDB: Largest compute 4848 load 0.027828 is 23.6% of average load 0.117772 LDB: Average compute 0.001742 is 1.5% of average load 0.117772 LDB: TIME 11384.7 LOAD: AVG 0.117772 MAX 0.181387 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.5 MB LDB: TIME 11384.7 LOAD: AVG 0.117772 MAX 0.181387 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.504 MB LDB: TIME 11384.7 LOAD: AVG 0.117772 MAX 0.181387 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.504 MB LDB: ============== END OF LOAD BALANCING =============== 11384.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11384.7 PRESSURE: 3916400 219.811 28.0052 -11.6459 28.0049 371.768 85.6187 -11.646 85.6206 72.4432 GPRESSURE: 3916400 215.135 -7.35477 13.7772 -5.6341 406.961 136.915 3.87731 46.192 148.1 PRESSAVG: 3916400 -0.174226 23.0363 50.5906 23.0362 -1.0901 5.78802 50.5906 5.78797 39.852 GPRESSAVG: 3916400 -0.0506393 23.621 49.7387 20.9615 -1.90922 5.71093 50.6023 6.39722 39.8863 TIMING: 3916400 CPU: 11381.5, 0.00295534/step Wall: 11381.5, 0.00295534/step, 0.889559 hours remaining, 205.835938 MB of memory in use. ENERGY: 3916400 733.9786 2075.4202 1941.4800 106.4885 -206125.9116 18244.6302 0.0000 0.0000 34401.0606 -148622.8534 300.4330 -183023.9140 -148526.6385 300.5566 221.3407 256.7319 558227.8134 12.8626 12.6422 PRESSURE: 3916600 -164.69 -139.472 -0.923392 -139.474 142.802 -11.8179 -0.922153 -11.8192 -152.626 GPRESSURE: 3916600 -194.641 -118.317 84.9558 -161.258 184.904 -66.1663 5.2797 -38.6182 -81.0172 PRESSAVG: 3916600 -12.8767 -2.3327 -5.763 -2.3327 33.9236 -0.119466 -5.76311 -0.119365 32.1637 GPRESSAVG: 3916600 -13.8337 0.808262 -4.18061 -1.61754 34.8133 -1.64211 -5.78857 -0.982326 31.9967 TIMING: 3916600 CPU: 11382.1, 0.00290499/step Wall: 11382.1, 0.00290499/step, 0.87424 hours remaining, 205.835938 MB of memory in use. ENERGY: 3916600 790.4714 2048.3448 1932.1823 112.3809 -205762.9387 17742.4741 0.0000 0.0000 34417.7108 -148719.3743 300.5784 -183137.0851 -148620.7244 299.9930 -58.1713 -30.2513 558007.4629 17.7369 17.6587 PRESSURE: 3916800 -8.1217 -177.402 -20.5187 -177.402 82.5128 -209.839 -20.5193 -209.839 -257.316 GPRESSURE: 3916800 23.9231 -179.399 -73.426 -113.176 35.1297 -218.119 -58.3978 -157.001 -144.859 PRESSAVG: 3916800 -75.3328 -49.5883 7.3264 -49.5883 68.5716 -2.86644 7.32642 -2.86642 6.20848 GPRESSAVG: 3916800 -74.6086 -51.7457 6.35037 -49.5485 67.4589 -2.38816 8.53291 -0.950516 6.36361 TIMING: 3916800 CPU: 11382.7, 0.00289743/step Wall: 11382.7, 0.00289743/step, 0.871803 hours remaining, 205.835938 MB of memory in use. ENERGY: 3916800 723.0195 2159.3948 1944.3593 110.2513 -205716.2722 17739.8804 0.0000 0.0000 34272.3271 -148767.0398 299.3088 -183039.3669 -148669.1092 299.8802 -60.9750 -28.6022 559680.1493 -0.1842 -0.2620 PRESSURE: 3917000 -41.5629 -67.1916 -91.2628 -67.1919 129.109 33.1601 -91.2621 33.1592 -179.484 GPRESSURE: 3917000 -9.11056 -154.426 -59.8333 -68.3309 204.257 84.3411 -111.623 53.5377 -180.397 PRESSAVG: 3917000 -17.7149 -70.6121 -13.1149 -70.6121 50.6635 -35.7267 -13.1149 -35.7267 -18.497 GPRESSAVG: 3917000 -18.3736 -71.0093 -12.3863 -69.7427 52.0684 -35.5055 -13.5918 -37.6805 -18.7796 TIMING: 3917000 CPU: 11383.3, 0.00292765/step Wall: 11383.3, 0.00292765/step, 0.880736 hours remaining, 205.835938 MB of memory in use. ENERGY: 3917000 723.9883 2138.8462 1930.3736 115.5164 -206181.4846 18007.9751 0.0000 0.0000 34441.8140 -148822.9709 300.7889 -183264.7849 -148722.8278 300.0525 -30.6461 4.9166 559178.6568 4.8172 4.9718 PRESSURE: 3917200 207.996 -85.9029 109.338 -85.9021 191.256 3.0353 109.339 3.03404 -91.6315 GPRESSURE: 3917200 219.681 -98.1904 111.198 -21.5195 260.411 -15.2351 158.331 23.7358 -78.1843 PRESSAVG: 3917200 -14.6038 2.01253 -6.79892 2.0126 110.422 -11.2002 -6.79881 -11.2002 -68.0984 GPRESSAVG: 3917200 -14.9512 4.11712 -7.3806 0.54015 109.327 -7.5349 -6.2182 -10.8131 -66.433 TIMING: 3917200 CPU: 11383.8, 0.00292085/step Wall: 11383.8, 0.00292085/step, 0.878527 hours remaining, 205.835938 MB of memory in use. ENERGY: 3917200 745.6093 2086.0564 1974.4647 107.8959 -205916.7203 17906.1420 0.0000 0.0000 34212.0712 -148884.4807 298.7825 -183096.5519 -148783.5275 300.2960 102.5401 133.9694 559136.4578 9.2400 9.3143 PRESSURE: 3917400 -416.995 -143.517 -21.2997 -143.516 116.49 -81.2646 -21.2997 -81.2649 80.2168 GPRESSURE: 3917400 -346.9 -132.295 -10.8243 -163.662 138.285 -96.9017 -75.4232 -20.8569 80.9457 PRESSAVG: 3917400 -35.3092 32.3702 31.6791 32.3703 81.1035 22.7246 31.6791 22.7246 -47.9674 GPRESSAVG: 3917400 -35.2654 31.0275 31.6446 33.1879 82.4129 18.5115 31.3251 22.5819 -48.8226 TIMING: 3917400 CPU: 11384.4, 0.00291093/step Wall: 11384.4, 0.00291093/step, 0.87538 hours remaining, 205.835938 MB of memory in use. ENERGY: 3917400 744.4827 2146.0434 1952.2058 111.0820 -205922.7814 17730.8372 0.0000 0.0000 34387.9913 -148850.1391 300.3189 -183238.1304 -148754.5617 300.0484 -73.4295 -42.5564 559731.7090 -0.7244 -0.5583 PRESSURE: 3917600 -62.8624 -79.9853 -147.12 -79.9857 -299.334 -58.7602 -147.119 -58.761 -145.022 GPRESSURE: 3917600 -14.2033 -104.584 -158.103 0.105841 -212.207 -15.5537 -134.478 -110 -176.874 PRESSAVG: 3917600 16.9803 -1.76047 0.545172 -1.76043 -56.3806 38.9046 0.545261 38.9045 40.4193 GPRESSAVG: 3917600 17.9776 -1.42763 0.709011 0.662783 -57.1115 39.407 -0.482138 39.4233 40.1348 TIMING: 3917600 CPU: 11385, 0.00288903/step Wall: 11385, 0.00288903/step, 0.868635 hours remaining, 205.835938 MB of memory in use. ENERGY: 3917600 755.3189 2061.4295 1947.1883 108.5228 -205564.8703 17691.3443 0.0000 0.0000 34283.5172 -148717.5492 299.4065 -183001.0664 -148612.7146 299.7949 -169.0729 -134.4282 560748.8803 0.3397 0.3337 PRESSURE: 3917800 97.7715 17.8509 55.8725 17.8501 30.05 61.1208 55.8725 61.121 374.965 GPRESSURE: 3917800 166.364 -20.3854 19.327 -56.3516 60.5733 39.1189 52.1083 45.0567 362.273 PRESSAVG: 3917800 26.5583 -14.0633 -27.7979 -14.0633 -31.1451 -33.3392 -27.7979 -33.3393 32.2202 GPRESSAVG: 3917800 25.3705 -15.4712 -29.0891 -15.6461 -30.9435 -34.0784 -25.6379 -32.4093 32.7682 TIMING: 3917800 CPU: 11385.6, 0.00289771/step Wall: 11385.6, 0.00289771/step, 0.871085 hours remaining, 205.835938 MB of memory in use. ENERGY: 3917800 769.3800 2056.8620 1915.4252 109.6624 -206033.9629 18102.4937 0.0000 0.0000 34434.7897 -148645.3499 300.7276 -183080.1396 -148546.7227 300.5949 167.5954 196.4034 559802.8543 9.2112 9.0651 PRESSURE: 3918000 -95.3269 -118.994 -266.027 -118.995 12.6047 131.166 -266.025 131.166 76.7942 GPRESSURE: 3918000 -68.0867 -115.839 -308.323 -40.424 56.4818 124.635 -190.895 127.433 106.441 PRESSAVG: 3918000 39.42 0.00341621 -7.8131 0.00340274 -57.7302 -14.5456 -7.81302 -14.5456 39.2955 GPRESSAVG: 3918000 40.5221 -0.977721 -6.58859 1.17796 -57.8701 -14.1575 -10.4184 -14.717 38.6414 TIMING: 3918000 CPU: 11386.2, 0.00289288/step Wall: 11386.2, 0.00289288/step, 0.869472 hours remaining, 205.835938 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: 3918000 754.2474 2080.9813 1964.8206 114.7165 -205844.9642 17929.4337 0.0000 0.0000 34366.7947 -148633.9699 300.1338 -183000.7646 -148534.6377 300.2616 -1.9760 31.6119 560477.6962 6.9951 7.0978 PRESSURE: 3918200 -167.828 -53.5798 102.738 -53.5789 78.5375 160.018 102.739 160.02 -210.873 GPRESSURE: 3918200 -153.038 -78.3398 137.589 -115.132 121.98 200.035 22.7607 113.273 -175.109 PRESSAVG: 3918200 -19.5361 -15.6289 -15.1224 -15.6287 -11.6246 -0.82331 -15.1223 -0.823123 98.4853 GPRESSAVG: 3918200 -19.8264 -13.6589 -16.6662 -17.6241 -11.4788 0.300726 -15.3873 -2.18549 98.5596 TIMING: 3918200 CPU: 11386.7, 0.00290963/step Wall: 11386.7, 0.00290963/step, 0.874343 hours remaining, 205.835938 MB of memory in use. ENERGY: 3918200 743.8982 2138.8126 1975.9846 116.4020 -205579.2000 17589.5227 0.0000 0.0000 34459.6163 -148554.9637 300.9444 -183014.5800 -148457.0894 300.6544 -100.0545 -68.7224 559369.1025 22.4415 22.4181 PRESSURE: 3918400 -13.8877 -144.647 -48.0011 -144.646 122.424 98.652 -48.0017 98.6515 51.5858 GPRESSURE: 3918400 27.8586 -84.8949 -9.69544 -127.854 154.172 71.8519 -68.631 112.738 73.3175 PRESSAVG: 3918400 1.12628 -36.9035 -8.74064 -36.9035 -6.82772 27.5427 -8.74052 27.5427 30.7422 GPRESSAVG: 3918400 -0.291497 -37.2876 -6.51847 -33.7653 -7.07083 26.366 -8.57183 27.8188 32.0327 TIMING: 3918400 CPU: 11387.3, 0.00292192/step Wall: 11387.3, 0.00292193/step, 0.877876 hours remaining, 205.835938 MB of memory in use. ENERGY: 3918400 733.8163 2106.1797 1965.1330 114.3068 -205688.1766 17931.3526 0.0000 0.0000 34266.0849 -148571.3033 299.2542 -182837.3882 -148477.6916 301.2845 53.3740 85.1160 559800.7831 8.3469 8.2235 PRESSURE: 3918600 -58.2017 -80.7361 129.761 -80.7363 52.0119 -90.8056 129.762 -90.8068 28.8833 GPRESSURE: 3918600 -6.87313 33.8241 57.8194 -119.967 148.468 -91.7703 157.306 -120.263 -3.05512 PRESSAVG: 3918600 -2.3765 -12.8264 -9.90058 -12.8264 40.3263 21.1706 -9.90052 21.1706 3.07269 GPRESSAVG: 3918600 -1.75105 -10.9219 -12.0157 -15.9634 39.8451 21.9856 -8.41647 19.0647 2.6036 TIMING: 3918600 CPU: 11387.9, 0.00290719/step Wall: 11387.9, 0.00290718/step, 0.873286 hours remaining, 205.835938 MB of memory in use. ENERGY: 3918600 758.6249 2118.6902 1947.3168 110.9762 -206161.4711 17970.4895 0.0000 0.0000 34586.2801 -148669.0934 302.0506 -183255.3735 -148575.5938 301.5605 7.5645 46.1799 559078.7228 13.6742 13.5659 PRESSURE: 3918800 184.342 59.7677 -63.0079 59.7678 281.212 -83.1808 -63.0073 -83.1794 -47.5687 GPRESSURE: 3918800 208.803 -31.9948 -53.9734 82.581 331.257 -76.9119 -54.9837 -70.1858 -11.3431 PRESSAVG: 3918800 -22.0267 -29.7806 -31.3665 -29.7806 -9.56324 -58.2078 -31.3665 -58.2076 54.2928 GPRESSAVG: 3918800 -21.3081 -30.431 -31.7986 -29.0651 -9.26554 -58.8022 -31.7942 -57.1411 53.5505 TIMING: 3918800 CPU: 11388.5, 0.00291505/step Wall: 11388.5, 0.00291505/step, 0.875486 hours remaining, 205.835938 MB of memory in use. ENERGY: 3918800 722.2715 2180.5073 1953.5337 108.8623 -206112.4461 18000.4219 0.0000 0.0000 34528.1919 -148618.6575 301.5433 -183146.8494 -148517.5423 301.2481 139.3283 176.2391 558112.7987 7.5676 7.6590 PRESSURE: 3919000 -119.158 -97.6633 -83.3761 -97.6626 25.8365 -37.6976 -83.376 -37.6978 -80.4914 GPRESSURE: 3919000 -43.4911 -137.475 -86.3469 -73.6283 -32.9594 -58.4405 -79.1586 16.4522 7.44342 PRESSAVG: 3919000 -10.5398 -14.704 -47.9929 -14.7039 17.987 1.61705 -47.993 1.61709 12.9334 GPRESSAVG: 3919000 -10.3916 -14.556 -48.5075 -12.7722 18.0896 1.65519 -48.7732 3.89558 12.8642 TIMING: 3919000 CPU: 11389.1, 0.00289974/step Wall: 11389.1, 0.00289974/step, 0.870727 hours remaining, 205.835938 MB of memory in use. ENERGY: 3919000 782.0882 2088.0448 1958.0575 117.7469 -205770.2878 17748.5662 0.0000 0.0000 34498.2794 -148577.5049 301.2821 -183075.7843 -148484.7776 301.7745 -57.9376 -23.0024 558271.4304 6.7935 6.8541 PRESSURE: 3919200 80.5357 28.8395 170.714 28.8392 162.166 -21.1517 170.713 -21.1508 -91.106 GPRESSURE: 3919200 161.873 9.30947 173.025 7.57051 126.286 -64.6927 155.965 -10.3047 -35.0278 PRESSAVG: 3919200 7.63846 20.683 -11.7039 20.6829 4.8665 -22.7646 -11.7038 -22.7646 -17.5206 GPRESSAVG: 3919200 7.34839 18.1866 -9.7083 19.6976 5.17344 -24.3609 -10.7436 -23.4122 -17.6767 TIMING: 3919200 CPU: 11389.6, 0.00290921/step Wall: 11389.6, 0.00290921/step, 0.873409 hours remaining, 205.835938 MB of memory in use. ENERGY: 3919200 734.9205 2086.5109 1956.3061 118.6341 -205947.1577 17824.9237 0.0000 0.0000 34399.6916 -148826.1707 300.4211 -183225.8623 -148722.6122 301.0417 50.5320 84.3770 556536.7241 -1.6719 -1.7183 PRESSURE: 3919400 -251.189 26.5715 -57.7629 26.5709 -186.62 -90.9232 -57.764 -90.9256 -219.99 GPRESSURE: 3919400 -281.383 15.5445 -91.2306 -50.3885 -123.188 -106.489 -11.4087 -33.5566 -154.896 PRESSAVG: 3919400 -26.59 -29.809 36.4282 -29.8091 21.5788 -19.4307 36.4281 -19.4306 -14.2357 GPRESSAVG: 3919400 -25.6058 -30.907 35.4333 -30.1475 20.8384 -18.7776 37.0027 -19.7539 -14.0024 TIMING: 3919400 CPU: 11390.2, 0.00292209/step Wall: 11390.2, 0.00292209/step, 0.877113 hours remaining, 205.835938 MB of memory in use. ENERGY: 3919400 743.4433 2136.3499 1951.8364 108.5640 -205576.5905 17407.6741 0.0000 0.0000 34501.0437 -148727.6792 301.3062 -183228.7229 -148625.4368 300.9936 -219.2662 -186.4892 558673.7842 -6.4156 -6.2566 PRESSURE: 3919600 43.1891 -147.039 102 -147.04 84.8667 13.2101 102.001 13.2088 163.067 GPRESSURE: 3919600 117.74 -162.293 87.7164 -108.968 85.5212 -116.428 164.154 98.593 180.951 PRESSAVG: 3919600 -37.1806 25.4366 5.06381 25.4365 -4.69237 -52.3856 5.06381 -52.3856 -6.42877 GPRESSAVG: 3919600 -37.7048 27.818 4.87287 24.344 -5.00845 -53.3824 5.00845 -52.7893 -6.11965 TIMING: 3919600 CPU: 11390.8, 0.00291237/step Wall: 11390.8, 0.00291237/step, 0.874036 hours remaining, 205.835938 MB of memory in use. ENERGY: 3919600 770.9793 2153.7263 1962.1441 100.5426 -206232.6103 17921.5489 0.0000 0.0000 34414.8681 -148908.8010 300.5536 -183323.6691 -148814.7063 300.6028 97.0409 128.0710 556794.1104 -16.1006 -16.2776 PRESSURE: 3919800 -35.51 -114.339 69.9787 -114.34 200.016 69.7966 69.9783 69.7982 266.083 GPRESSURE: 3919800 36.7648 -115.519 46.1917 -76.9342 213.048 18.9922 -1.77307 138.362 282.76 PRESSAVG: 3919800 5.89622 -0.602611 45.3516 -0.602535 -59.3302 20.5094 45.3515 20.5095 14.5252 GPRESSAVG: 3919800 6.95902 -1.61543 45.9537 1.38817 -59.6377 21.4605 43.922 21.0406 14.0473 TIMING: 3919800 CPU: 11391.4, 0.00290224/step Wall: 11391.4, 0.00290224/step, 0.870832 hours remaining, 205.835938 MB of memory in use. ENERGY: 3919800 753.4987 2108.6944 1975.0006 118.8340 -205876.8317 17824.5733 0.0000 0.0000 34249.8192 -148846.4114 299.1122 -183096.2306 -148750.4705 300.3262 143.5299 177.5245 555610.9286 -12.9696 -12.8771 PRESSURE: 3920000 -181.637 32.7683 -125.948 32.7686 -56.5664 217.243 -125.948 217.244 -288.185 GPRESSURE: 3920000 -185.221 12.9627 -142.634 -2.94429 -21.2906 179.317 -135.397 232.301 -219.067 PRESSAVG: 3920000 -20.1243 84.9304 19.179 84.9304 52.6759 52.705 19.179 52.7051 -23.6345 GPRESSAVG: 3920000 -21.2763 85.618 19.1074 82.7866 53.9085 51.2562 20.3541 52.0135 -23.0133 TIMING: 3920000 CPU: 11392, 0.0028923/step Wall: 11392, 0.0028923/step, 0.86769 hours remaining, 205.835938 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: 3920000 787.4798 2081.3255 1985.7062 108.9829 -205542.8711 17452.3525 0.0000 0.0000 34192.6743 -148934.3498 298.6131 -183127.0241 -148840.9870 299.9686 -175.4628 -141.8595 556780.0840 2.9724 3.2063 PRESSURE: 3920200 -240.875 67.8036 7.2357 67.8043 -130.512 -4.47277 7.23596 -4.47113 -82.7104 GPRESSURE: 3920200 -189.43 98.8882 -47.9719 63.9187 -156.581 24.2898 118.873 -30.9278 -21.2916 PRESSAVG: 3920200 -62.9839 12.753 1.05913 12.753 28.284 89.9032 1.05919 89.9032 6.32254 GPRESSAVG: 3920200 -63.7537 14.2947 0.091554 13.5632 27.9069 92.5604 0.892452 89.8379 7.32659 TIMING: 3920200 CPU: 11392.6, 0.00290488/step Wall: 11392.6, 0.00290488/step, 0.871302 hours remaining, 205.835938 MB of memory in use. ENERGY: 3920200 803.6323 2082.9225 1966.2518 116.3710 -206133.9252 17728.2452 0.0000 0.0000 34330.2328 -149106.2697 299.8145 -183436.5025 -149001.8833 298.6120 -151.3660 -122.4342 557112.7448 -9.4591 -9.5067 LDB: ============= START OF LOAD BALANCING ============== 11396 LDB: ============== END OF LOAD BALANCING =============== 11396 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11396 LDB: ============= START OF LOAD BALANCING ============== 11396.3 LDB: Largest compute 4820 load 0.029689 is 25.2% of average load 0.117774 LDB: Average compute 0.001739 is 1.5% of average load 0.117774 LDB: TIME 11396.3 LOAD: AVG 0.117774 MAX 0.178704 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.949 MB LDB: TIME 11396.3 LOAD: AVG 0.117774 MAX 0.178704 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: TIME 11396.3 LOAD: AVG 0.117774 MAX 0.178704 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11396.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11396.3 PRESSURE: 3920400 293.851 190.174 -40.9917 190.174 -100.399 -56.2719 -40.9902 -56.2722 -32.9678 GPRESSURE: 3920400 292.866 221.703 -76.9894 150.028 -64.0321 -129.493 59.1799 -57.9619 30.682 PRESSAVG: 3920400 -43.4416 51.6013 18.4973 51.6013 38.7857 -1.12525 18.4973 -1.12522 27.6046 GPRESSAVG: 3920400 -42.4335 50.458 21.657 52.0974 38.595 -5.24353 17.296 1.34485 26.7069 TIMING: 3920400 CPU: 11393.1, 0.00294091/step Wall: 11393.1, 0.00294091/step, 0.881945 hours remaining, 208.816406 MB of memory in use. ENERGY: 3920400 765.1793 2113.2806 1935.9065 114.6469 -205815.8225 17645.8775 0.0000 0.0000 34311.2555 -148929.6761 299.6487 -183240.9316 -148833.5022 299.7636 53.4945 86.5054 557060.5844 7.6496 7.6228 PRESSURE: 3920600 -13.6116 154.302 -103.708 154.302 -134.987 50.4893 -103.708 50.4894 -117.642 GPRESSURE: 3920600 37.5653 102.567 -7.25022 156.739 -75.0354 -21.3669 -70.8949 16.303 -132.423 PRESSAVG: 3920600 8.64022 24.5814 -54.5581 24.5813 52.2136 -0.663012 -54.5581 -0.662976 -75.6264 GPRESSAVG: 3920600 7.32059 25.2212 -55.887 23.6738 53.4906 0.782763 -53.8978 -3.01495 -74.9121 TIMING: 3920600 CPU: 11393.7, 0.00289552/step Wall: 11393.7, 0.00289552/step, 0.868174 hours remaining, 208.921875 MB of memory in use. ENERGY: 3920600 763.2741 2083.2186 1951.4680 109.9825 -205953.7056 17695.3548 0.0000 0.0000 34295.5559 -149054.8516 299.5116 -183350.4076 -148960.2091 299.9576 -88.7467 -56.6311 557900.0873 -4.9242 -4.7003 PRESSURE: 3920800 178.818 -28.0792 39.0935 -28.0791 -166.998 -40.1828 39.0924 -40.1826 -161.418 GPRESSURE: 3920800 135.281 -67.7461 -20.3308 -96.491 -103.402 -81.0585 26.3696 -90.7367 -72.5409 PRESSAVG: 3920800 89.1638 -13.9845 3.8028 -13.9845 -73.3304 53.2602 3.80279 53.2604 -38.0013 GPRESSAVG: 3920800 89.318 -14.707 1.7993 -13.0849 -73.426 54.1156 5.52957 53.6394 -38.095 TIMING: 3920800 CPU: 11394.3, 0.00288412/step Wall: 11394.3, 0.00288412/step, 0.864595 hours remaining, 208.921875 MB of memory in use. ENERGY: 3920800 732.1449 2114.6188 1953.5842 111.5571 -206177.8695 17930.4130 0.0000 0.0000 34137.6948 -149197.8568 298.1330 -183335.5516 -149104.7389 300.0213 -49.8661 -13.5537 556817.8006 -7.3893 -7.4010 PRESSURE: 3921000 -83.9303 33.0906 -36.0748 33.0907 -158.574 -26.9183 -36.0747 -26.9202 -320.839 GPRESSURE: 3921000 -38.0271 -2.13883 -57.5804 193.916 -167.632 -0.427878 -24.1267 -21.8091 -270.335 PRESSAVG: 3921000 74.0933 29.2155 -7.94212 29.2155 -17.2985 -60.5704 -7.94203 -60.5703 -59.5666 GPRESSAVG: 3921000 74.9382 28.5739 -7.44627 30.1667 -17.1933 -59.8196 -6.81379 -61.0137 -60.5963 TIMING: 3921000 CPU: 11394.9, 0.00288549/step Wall: 11394.9, 0.00288549/step, 0.864847 hours remaining, 208.921875 MB of memory in use. ENERGY: 3921000 758.3041 2133.6044 1981.7741 119.6053 -205872.6391 17640.9581 0.0000 0.0000 34005.1871 -149233.2060 296.9758 -183238.3932 -149144.9066 299.0969 -187.7811 -158.6645 557868.9500 -0.9239 -0.9504 PRESSURE: 3921200 -74.7974 -195.545 -22.8517 -195.543 22.5737 120.95 -22.8512 120.951 -25.5055 GPRESSURE: 3921200 -70.7605 -208.287 42.7323 -205.644 77.9762 44.8113 27.9419 96.0462 15.9667 PRESSAVG: 3921200 -38.9572 -14.6399 -28.4311 -14.64 60.6199 19.2555 -28.431 19.2555 -50.8164 GPRESSAVG: 3921200 -38.6368 -14.3367 -24.8364 -14.9041 60.0605 16.1089 -30.8237 20.1382 -50.7183 TIMING: 3921200 CPU: 11395.5, 0.00291909/step Wall: 11395.5, 0.00291909/step, 0.874755 hours remaining, 208.921875 MB of memory in use. ENERGY: 3921200 752.8312 2117.9138 1957.5023 103.4783 -206001.1281 17695.9867 0.0000 0.0000 34281.4717 -149091.9440 299.3886 -183373.4157 -148999.5521 299.6890 -25.9097 7.7275 556979.2278 -9.7179 -9.7649 PRESSURE: 3921400 198.78 189.991 201.751 189.991 -71.2509 -81.9817 201.75 -81.9826 -297.151 GPRESSURE: 3921400 157.993 212.848 139.03 173.289 -2.75759 -123.544 268.161 -37.6057 -209.505 PRESSAVG: 3921400 -7.80609 -23.4302 8.72408 -23.4301 32.039 -7.20252 8.72419 -7.2023 -44.9393 GPRESSAVG: 3921400 -8.12584 -20.2288 7.09258 -24.3869 32.2542 -5.27619 8.7732 -7.2973 -44.6331 TIMING: 3921400 CPU: 11396, 0.00291776/step Wall: 11396, 0.00291776/step, 0.874193 hours remaining, 208.921875 MB of memory in use. ENERGY: 3921400 741.2652 2070.9232 1973.3731 119.9710 -206044.6616 17756.0095 0.0000 0.0000 34235.6332 -149147.4865 298.9883 -183383.1197 -149056.7118 299.8910 -56.5407 -18.0899 557083.2867 -6.9021 -6.8349 PRESSURE: 3921600 -16.1408 130.991 159.683 130.99 -1.43189 -77.8376 159.685 -77.8384 -148.233 GPRESSURE: 3921600 -15.5563 142.173 118.438 175.897 70.5532 -83.1734 173.805 -14.1061 -123.617 PRESSAVG: 3921600 99.6472 8.40296 18.5165 8.40287 -3.77082 67.4989 18.5164 67.499 -28.1959 GPRESSAVG: 3921600 99.2511 5.78053 16.7164 8.03244 -4.07627 67.0228 18.7884 66.9446 -27.5204 TIMING: 3921600 CPU: 11396.6, 0.00292236/step Wall: 11396.6, 0.00292236/step, 0.875408 hours remaining, 208.921875 MB of memory in use. ENERGY: 3921600 735.4551 2047.6157 1974.7475 109.5828 -206098.7800 17760.6280 0.0000 0.0000 34282.4347 -149188.3162 299.3970 -183470.7509 -149096.4561 300.0970 -55.2687 -22.8735 557892.3052 22.5602 22.5515 PRESSURE: 3921800 -274.249 -61.2798 -52.1165 -61.2792 -228.257 80.0354 -52.1171 80.0364 -153.951 GPRESSURE: 3921800 -213.139 -117.587 -54.068 -18.5899 -179.383 119.486 -79.9119 147.259 -149.479 PRESSAVG: 3921800 -8.57465 -9.75082 31.5567 -9.75078 45.1684 22.1748 31.5567 22.1747 -4.35635 GPRESSAVG: 3921800 -8.73713 -7.58114 32.1825 -10.1002 45.5557 23.7105 31.6246 21.2089 -4.70001 TIMING: 3921800 CPU: 11397.2, 0.00288929/step Wall: 11397.2, 0.00288929/step, 0.865341 hours remaining, 208.921875 MB of memory in use. ENERGY: 3921800 783.5115 2128.7637 1968.2727 100.3391 -205788.4516 17478.3660 0.0000 0.0000 34194.1064 -149135.0922 298.6256 -183329.1986 -149044.0180 299.3158 -218.8191 -180.6671 557350.6668 10.7458 10.7062 PRESSURE: 3922000 -204.093 -90.3306 25.8469 -90.3312 -16.2848 -225.014 25.8483 -225.014 -217.49 GPRESSURE: 3922000 -171.182 -61.2262 -52.671 -131.82 7.2633 -185.029 101.818 -219.308 -169.642 PRESSAVG: 3922000 -33.7337 39.466 27.886 39.4661 58.4726 13.4381 27.8861 13.4381 -26.7684 GPRESSAVG: 3922000 -33.5086 38.5944 27.5857 40.8771 57.9064 12.7458 27.3775 15.1116 -27.2257 TIMING: 3922000 CPU: 11397.8, 0.00291183/step Wall: 11397.8, 0.00291183/step, 0.87193 hours remaining, 208.921875 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: 3922000 750.2073 2106.2767 1936.0561 107.2814 -205838.9497 17540.7956 0.0000 0.0000 34165.1534 -149233.1792 298.3728 -183398.3326 -149140.3742 299.2950 -145.9561 -111.1871 557615.5663 -0.6765 -0.9426 PRESSURE: 3922200 -44.0242 96.3966 -32.0504 96.3971 -314.973 -141.558 -32.0508 -141.556 35.173 GPRESSURE: 3922200 -22.412 63.7978 -2.67539 102.213 -305.021 -51.3929 -49.6671 -158.084 102.699 PRESSAVG: 3922200 1.4971 -46.9071 6.86234 -46.9072 13.6466 29.1897 6.86244 29.1897 -9.10748 GPRESSAVG: 3922200 2.19655 -47.3579 6.20966 -49.1323 12.0551 28.4939 7.70036 27.4002 -8.053 TIMING: 3922200 CPU: 11398.4, 0.00289932/step Wall: 11398.4, 0.00289932/step, 0.868025 hours remaining, 208.921875 MB of memory in use. ENERGY: 3922200 750.4118 2061.1646 1967.9491 110.7459 -206266.9112 17777.0288 0.0000 0.0000 34250.2652 -149349.3458 299.1161 -183599.6110 -149250.4898 299.1810 -107.9413 -74.9112 557079.9493 2.0121 2.0662 PRESSURE: 3922400 131.205 -97.9909 -163.87 -97.9916 -102.339 227.71 -163.871 227.712 -27.0687 GPRESSURE: 3922400 116.594 -66.7191 -225.159 -170.945 19.7989 211.393 -91.1358 239.969 -26.2498 PRESSAVG: 3922400 -28.9024 29.9161 -8.79284 29.9161 -19.6133 46.2883 -8.79297 46.2885 13.1229 GPRESSAVG: 3922400 -30.3782 27.6758 -7.52217 33.2091 -16.5541 45.4941 -8.68392 49.1774 12.5132 TIMING: 3922400 CPU: 11398.9, 0.00288222/step Wall: 11398.9, 0.00288222/step, 0.862745 hours remaining, 208.921875 MB of memory in use. ENERGY: 3922400 720.1430 2054.3367 1938.7450 113.4912 -206706.6741 18065.5412 0.0000 0.0000 34291.3041 -149523.1128 299.4745 -183814.4170 -149427.3185 298.7630 0.5992 36.7143 558017.9763 -11.7976 -11.4731 PRESSURE: 3922600 -104.237 68.7966 136.684 68.7973 -193.994 62.1693 136.686 62.1687 148.648 GPRESSURE: 3922600 -48.0485 62.9489 83.1837 35.5818 -182.526 -10.8984 227.122 74.9045 174.253 PRESSAVG: 3922600 -18.3456 6.0132 31.6832 6.01314 -41.8866 -7.15171 31.6832 -7.15187 107.876 GPRESSAVG: 3922600 -17.7205 9.3306 32.4461 3.67613 -44.6737 -7.20699 29.8341 -8.44737 110.058 TIMING: 3922600 CPU: 11399.5, 0.00289294/step Wall: 11399.5, 0.00289294/step, 0.865792 hours remaining, 208.921875 MB of memory in use. ENERGY: 3922600 773.1535 2107.3290 1955.0126 108.2844 -206469.7386 17758.7140 0.0000 0.0000 34380.2578 -149386.9872 300.2513 -183767.2450 -149286.4534 299.2418 -49.8611 -18.7739 555864.0044 15.8811 15.8879 PRESSURE: 3922800 217.64 157.089 -44.5748 157.088 191.785 -148.731 -44.5749 -148.731 92.8657 GPRESSURE: 3922800 300.083 178.765 -41.2365 232.293 209.895 -111.304 -77.684 -125.774 91.3393 PRESSAVG: 3922800 -21.9812 24.5159 6.04211 24.5159 20.7949 -34.3002 6.0422 -34.3001 -31.0795 GPRESSAVG: 3922800 -21.9693 18.9846 6.17036 25.6451 22.3951 -33.7688 6.81621 -36.5936 -32.6589 TIMING: 3922800 CPU: 11400.1, 0.00290017/step Wall: 11400.1, 0.00290017/step, 0.867797 hours remaining, 208.921875 MB of memory in use. ENERGY: 3922800 760.2794 2093.7534 1940.6344 110.0113 -206267.1224 18025.7134 0.0000 0.0000 34184.2899 -149152.4406 298.5399 -183336.7305 -149058.1743 298.4287 167.4305 200.4394 556469.4754 -10.7553 -10.7443 PRESSURE: 3923000 225.324 108.797 65.1794 108.798 88.9903 -109.887 65.1794 -109.888 124.256 GPRESSURE: 3923000 275.227 185.832 32.8786 65.1152 73.1966 -181.375 70.3947 -120.344 172.056 PRESSAVG: 3923000 38.7545 67.5413 -8.14743 67.5414 -74.6425 -27.5244 -8.14732 -27.5244 17.5454 GPRESSAVG: 3923000 39.1914 70.2587 -9.22837 67.3042 -74.5207 -27.5162 -7.4806 -25.9016 17.028 TIMING: 3923000 CPU: 11400.7, 0.00290729/step Wall: 11400.7, 0.00290729/step, 0.869765 hours remaining, 208.921875 MB of memory in use. ENERGY: 3923000 721.2218 2127.8750 1939.5234 114.1893 -206742.8570 18308.0647 0.0000 0.0000 34336.1485 -149195.8343 299.8661 -183531.9828 -149101.2020 299.6521 146.1903 173.4934 558868.5414 -6.1142 -6.1005 PRESSURE: 3923200 41.4185 2.72126 42.565 2.72091 379.1 -77.3895 42.5653 -77.3894 -137.099 GPRESSURE: 3923200 82.4584 -53.6196 55.1236 -60.7177 387.245 -118.665 6.15953 -72.3883 -90.9731 PRESSAVG: 3923200 5.74584 18.1252 -24.702 18.1253 -24.3789 -4.8486 -24.7021 -4.84851 10.0407 GPRESSAVG: 3923200 5.68751 19.3003 -23.205 17.3321 -24.0961 -2.79395 -25.5482 -8.06355 10.4433 TIMING: 3923200 CPU: 11401.3, 0.0029042/step Wall: 11401.3, 0.0029042/step, 0.868678 hours remaining, 208.921875 MB of memory in use. ENERGY: 3923200 715.1297 2135.0178 1943.1376 105.3681 -206713.9597 18107.7185 0.0000 0.0000 34376.6505 -149330.9376 300.2198 -183707.5881 -149232.2160 299.1953 94.4731 126.2436 557742.4944 -2.8641 -2.6551 PRESSURE: 3923400 -13.0811 -219.228 -5.28127 -219.227 -295.175 -70.5391 -5.28051 -70.5394 -100.678 GPRESSURE: 3923400 26.2937 -156.89 -129.964 -261.245 -239.576 -166.183 -10.3221 -43.1916 -107.048 PRESSAVG: 3923400 78.4022 24.4755 -55.0208 24.4754 -50.4014 64.7798 -55.0207 64.7798 -24.2216 GPRESSAVG: 3923400 77.9609 25.9857 -55.4851 23.4174 -51.3745 61.9849 -55.4938 68.7025 -22.845 TIMING: 3923400 CPU: 11401.9, 0.00292619/step Wall: 11401.9, 0.00292619/step, 0.875094 hours remaining, 208.921875 MB of memory in use. ENERGY: 3923400 731.2331 2088.7035 1951.1590 115.7230 -205831.8840 17485.7247 0.0000 0.0000 34129.1784 -149330.1624 298.0586 -183459.3407 -149229.6735 299.0594 -136.3116 -106.7766 558644.7141 1.2597 1.2471 PRESSURE: 3923600 -141.93 203.259 157.31 203.259 -193.978 168.522 157.311 168.522 -39.453 GPRESSURE: 3923600 -123.692 161.786 197.937 186.363 -144.286 189.897 116.665 166.88 -20.8036 PRESSAVG: 3923600 -0.943749 38.4873 -1.34542 38.4874 -50.2845 44.8277 -1.34543 44.8277 18.1399 GPRESSAVG: 3923600 0.157314 37.8264 0.163006 40.3439 -49.924 45.9125 -0.970538 45.1304 17.1504 TIMING: 3923600 CPU: 11402.4, 0.00290577/step Wall: 11402.4, 0.00290577/step, 0.868825 hours remaining, 208.921875 MB of memory in use. ENERGY: 3923600 792.4943 2035.5352 1950.0948 106.3411 -206491.0194 17865.8302 0.0000 0.0000 34392.2811 -149348.4425 300.3563 -183740.7237 -149252.8092 298.6753 -125.1203 -96.2603 558787.4575 -11.0294 -10.8721 PRESSURE: 3923800 34.6978 -11.4811 -61.3947 -11.4812 115.817 117.138 -61.3954 117.137 22.5798 GPRESSURE: 3923800 101.27 25.5542 -26.4385 -21.0688 113.415 71.3455 -97.6292 113.418 50.4472 PRESSAVG: 3923800 57.8788 7.0383 -0.271167 7.03825 1.63723 30.3189 -0.271361 30.3189 -35.6548 GPRESSAVG: 3923800 57.3954 6.84355 -0.454797 6.57503 2.30338 30.7671 0.825952 30.454 -36.1188 TIMING: 3923800 CPU: 11403, 0.00292411/step Wall: 11403, 0.00292411/step, 0.874147 hours remaining, 208.921875 MB of memory in use. ENERGY: 3923800 740.4031 2155.0623 1944.3731 112.0668 -206181.8634 17869.8370 0.0000 0.0000 34005.0234 -149355.0977 296.9743 -183360.1211 -149263.6807 299.4243 57.6982 88.3774 558064.1426 7.9537 7.8600 PRESSURE: 3924000 259.391 -64.0619 34.4761 -64.0629 383.993 -169.953 34.4759 -169.952 -43.6709 GPRESSURE: 3924000 285.786 -99.7029 66.615 -74.4469 429.509 -232.051 48.1768 -163.855 -27.1278 PRESSAVG: 3924000 25.3455 29.0491 -11.5055 29.049 61.6511 16.774 -11.5055 16.7741 -45.9824 GPRESSAVG: 3924000 26.0202 26.9248 -13.4377 30.4167 60.8813 15.1236 -12.7194 16.5777 -46.0079 TIMING: 3924000 CPU: 11403.6, 0.00291475/step Wall: 11403.6, 0.00291475/step, 0.871187 hours remaining, 208.921875 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: 3924000 730.5942 2077.1305 1949.1851 107.8638 -206508.8137 18079.0480 0.0000 0.0000 34400.5356 -149164.4565 300.4284 -183564.9921 -149071.9748 299.2458 199.9043 229.3893 557494.2296 13.6714 13.6312 PRESSURE: 3924200 -37.8855 4.21468 -201.219 4.21477 134.109 154.377 -201.218 154.376 -117.258 GPRESSURE: 3924200 23.7929 -41.3233 -111.812 33.8146 113.16 101.185 -244.405 202.511 -71.6582 PRESSAVG: 3924200 26.7958 10.9853 -53.8452 10.9852 53.7567 63.1999 -53.8451 63.2 -94.9739 GPRESSAVG: 3924200 26.3458 14.7723 -54.5416 8.96743 53.597 66.878 -53.7862 60.0973 -94.7687 TIMING: 3924200 CPU: 11404.2, 0.00292637/step Wall: 11404.2, 0.00292637/step, 0.874498 hours remaining, 208.921875 MB of memory in use. ENERGY: 3924200 779.1486 2077.7169 1970.5287 111.6648 -206380.4160 17979.2720 0.0000 0.0000 34344.4958 -149117.5892 299.9390 -183462.0850 -149023.8103 299.4436 -7.0116 21.7648 557459.7631 -4.8071 -4.9420 LDB: ============= START OF LOAD BALANCING ============== 11407.7 LDB: ============== END OF LOAD BALANCING =============== 11407.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11407.7 LDB: ============= START OF LOAD BALANCING ============== 11408 LDB: Largest compute 4820 load 0.029758 is 25.3% of average load 0.117799 LDB: Average compute 0.001741 is 1.5% of average load 0.117799 LDB: TIME 11408 LOAD: AVG 0.117799 MAX 0.176804 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 11408 LOAD: AVG 0.117799 MAX 0.176804 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.41 MB LDB: TIME 11408 LOAD: AVG 0.117799 MAX 0.176804 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11408 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11408 PRESSURE: 3924400 127.464 -120.147 8.00954 -120.147 127.694 -29.9694 8.00973 -29.9676 -362.609 GPRESSURE: 3924400 95.3932 -151.935 -23.2281 -122.226 206.472 -47.2811 -21.0866 36.9083 -297.571 PRESSAVG: 3924400 -17.7607 69.1035 -29.6096 69.1035 -8.45348 13.1735 -29.6096 13.1734 -8.56235 GPRESSAVG: 3924400 -17.364 64.8235 -28.8936 70.1521 -7.9614 11.8337 -28.9265 14.6877 -9.51173 TIMING: 3924400 CPU: 11404.8, 0.00299121/step Wall: 11404.8, 0.00299121/step, 0.893708 hours remaining, 207.203125 MB of memory in use. ENERGY: 3924400 766.8967 2118.5474 1973.4553 112.3585 -206231.2044 17863.0838 0.0000 0.0000 34195.0020 -149201.8608 298.6335 -183396.8628 -149105.4413 299.3002 -35.8171 1.4314 557606.5398 -11.5922 -11.6124 PRESSURE: 3924600 43.871 60.1201 -90.8209 60.1208 132.021 91.1956 -90.8208 91.1964 415.031 GPRESSURE: 3924600 99.4667 36.9949 -3.36025 56.2556 171.208 1.02774 -150.708 73.2792 431.488 PRESSAVG: 3924600 -11.8295 61.1217 -36.3784 61.1217 23.8396 -35.3703 -36.3783 -35.3702 7.30216 GPRESSAVG: 3924600 -12.4778 62.7603 -36.9769 61.907 23.2511 -35.9619 -36.1358 -34.223 8.68603 TIMING: 3924600 CPU: 11405.4, 0.00291036/step Wall: 11405.4, 0.00291036/step, 0.869388 hours remaining, 207.406250 MB of memory in use. ENERGY: 3924600 733.9512 2086.7377 1941.1772 119.9818 -206204.9600 17854.2798 0.0000 0.0000 34242.0871 -149226.7452 299.0447 -183468.8323 -149123.0495 299.0924 196.9741 234.0541 554792.3312 6.4374 6.4864 PRESSURE: 3924800 -90.718 193.17 -144.17 193.17 -7.98359 -62.612 -144.17 -62.6113 -45.6152 GPRESSURE: 3924800 -24.1678 258.005 -155.317 259.142 19.7479 -5.60423 -87.4553 -54.5974 -35.8778 PRESSAVG: 3924800 -21.2908 8.98512 -24.9843 8.98513 35.7843 49.7328 -24.9843 49.7328 40.9772 GPRESSAVG: 3924800 -21.0732 9.3894 -25.5787 10.9416 36.4988 49.8615 -27.4947 48.5725 39.7577 TIMING: 3924800 CPU: 11405.9, 0.0028973/step Wall: 11405.9, 0.0028973/step, 0.865327 hours remaining, 207.406250 MB of memory in use. ENERGY: 3924800 771.6472 2121.4278 1919.5124 116.0629 -206083.1374 17788.5896 0.0000 0.0000 34302.3217 -149063.5756 299.5707 -183365.8973 -148967.5256 299.9803 -48.1056 -13.4326 557461.4622 18.4902 18.3944 PRESSURE: 3925000 56.949 20.8743 35.8666 20.8724 37.3529 90.9264 35.8667 90.9267 85.4695 GPRESSURE: 3925000 94.4784 63.7979 109.496 24.3611 62.3542 20.0185 -7.84534 69.6078 121.682 PRESSAVG: 3925000 28.4505 -4.62878 -41.4258 -4.62881 1.45296 -49.6589 -41.4258 -49.6588 9.64879 GPRESSAVG: 3925000 28.703 -4.55054 -40.6325 -7.59039 0.369141 -48.8521 -38.2432 -49.5354 10.3286 TIMING: 3925000 CPU: 11406.5, 0.00290667/step Wall: 11406.5, 0.00290667/step, 0.867965 hours remaining, 207.406250 MB of memory in use. ENERGY: 3925000 757.1402 2113.6253 1928.0535 107.1030 -206163.6969 17811.4815 0.0000 0.0000 34416.7310 -149029.5624 300.5699 -183446.2934 -148931.5069 299.7179 59.9238 92.8382 557930.0340 13.1841 13.1336 PRESSURE: 3925200 -216.907 95.6145 17.9023 95.6144 15.2949 69.2227 17.9025 69.2246 -324.516 GPRESSURE: 3925200 -206.175 -5.12756 33.6419 90.7432 5.2161 110.529 5.82967 25.1438 -242.771 PRESSAVG: 3925200 -65.5802 -22.2522 -40.8979 -22.2522 80.6351 -13.9503 -40.8979 -13.9503 -0.930075 GPRESSAVG: 3925200 -66.3195 -22.119 -41.8565 -20.7933 81.0501 -16.3064 -42.9296 -9.97977 -0.497746 TIMING: 3925200 CPU: 11407.1, 0.00293746/step Wall: 11407.1, 0.00293746/step, 0.876994 hours remaining, 207.406250 MB of memory in use. ENERGY: 3925200 717.0113 2084.4218 1961.3358 109.8176 -205870.8013 17654.5662 0.0000 0.0000 34225.2899 -149118.3586 298.8980 -183343.6485 -149013.5921 298.8466 -175.3760 -147.9101 558645.5055 4.7083 4.7443 PRESSURE: 3925400 -213.64 67.4488 105.958 67.4485 83.8488 66.6282 105.958 66.6269 -188.044 GPRESSURE: 3925400 -180.818 131.837 -7.7829 67.0674 155.676 29.5706 171.616 88.6642 -195.557 PRESSAVG: 3925400 30.556 11.8746 41.1832 11.8746 33.6515 25.6762 41.1832 25.6763 -31.2748 GPRESSAVG: 3925400 30.469 12.0156 41.4447 13.0336 34.0688 26.0061 40.5173 23.29 -31.8403 TIMING: 3925400 CPU: 11407.7, 0.00292938/step Wall: 11407.7, 0.00292938/step, 0.874421 hours remaining, 207.406250 MB of memory in use. ENERGY: 3925400 753.3713 2127.3234 1944.0527 122.7653 -205961.9867 17676.1932 0.0000 0.0000 34215.5301 -149122.7507 298.8127 -183338.2808 -149031.0390 298.4165 -105.9450 -73.5667 557702.2995 10.9776 10.8992 PRESSURE: 3925600 -138.801 -18.7943 36.2714 -18.7944 -85.5689 85.2795 36.2717 85.2797 -201.748 GPRESSURE: 3925600 -114.418 -56.9496 117.415 -44.3043 -111.98 139.357 8.31755 28.578 -98.8146 PRESSAVG: 3925600 7.92264 15.469 23.8104 15.469 49.8384 22.6045 23.8103 22.6044 -63.826 GPRESSAVG: 3925600 7.90323 15.506 23.3398 13.3219 49.5707 24.4599 23.843 22.578 -62.8918 TIMING: 3925600 CPU: 11408.3, 0.00292648/step Wall: 11408.3, 0.00292648/step, 0.873392 hours remaining, 207.406250 MB of memory in use. ENERGY: 3925600 725.9133 2171.3585 1947.5411 120.4098 -206548.7471 17893.8627 0.0000 0.0000 34459.0830 -149230.5787 300.9397 -183689.6617 -149132.4882 299.8552 -142.0393 -108.4043 559165.4858 -2.0216 -1.8059 PRESSURE: 3925800 226.629 163.384 -0.235805 163.384 229.768 195.937 -0.235398 195.937 -18.2899 GPRESSURE: 3925800 202.413 88.9939 -7.68022 116.494 229.565 108.875 78.3941 216.807 103.865 PRESSAVG: 3925800 3.75009 33.553 -8.79736 33.553 37.9101 28.1513 -8.79736 28.1513 -30.1369 GPRESSAVG: 3925800 5.5645 33.5625 -8.8803 35.678 37.1323 27.3546 -7.99886 27.3492 -31.4009 TIMING: 3925800 CPU: 11408.9, 0.00292279/step Wall: 11408.9, 0.00292279/step, 0.872128 hours remaining, 207.406250 MB of memory in use. ENERGY: 3925800 744.4304 2120.2446 1946.8782 112.3406 -206493.2808 18090.0828 0.0000 0.0000 34204.3344 -149274.9698 298.7150 -183479.3042 -149173.4183 299.6008 146.0356 178.6141 558032.5716 3.8411 3.7653 PRESSURE: 3926000 -258.886 38.6951 167.844 38.695 133.324 4.27724 167.844 4.27586 -101.667 GPRESSURE: 3926000 -200.153 101.905 200.118 -13.3075 133.626 -17.6616 182.073 85.1634 -61.8092 PRESSAVG: 3926000 10.3744 18.6894 59.1482 18.6894 42.2806 -20.3131 59.1481 -20.3131 -67.6703 GPRESSAVG: 3926000 7.59432 18.442 59.8357 17.8676 42.3074 -19.8582 59.183 -21.6231 -64.9357 TIMING: 3926000 CPU: 11409.5, 0.00290143/step Wall: 11409.5, 0.00290143/step, 0.865592 hours remaining, 207.406250 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: 3926000 739.2216 2122.2151 1946.7181 107.9302 -206191.8844 17785.8520 0.0000 0.0000 34253.9907 -149235.9567 299.1486 -183489.9474 -149139.2081 299.3232 -75.7431 -42.7785 558974.1232 -5.0051 -5.0113 PRESSURE: 3926200 -181.809 -20.8898 -79.7463 -20.8904 -107.784 63.9665 -79.7473 63.9676 47.1955 GPRESSURE: 3926200 -129.628 -25.2812 -33.3923 -29.8739 -90.8563 99.6334 -76.5662 -11.5444 67.9932 PRESSAVG: 3926200 3.85989 19.7014 77.3074 19.7014 21.4299 -47.3675 77.3074 -47.3675 -20.0955 GPRESSAVG: 3926200 3.99746 18.6343 78.2414 20.5835 22.5173 -48.0334 75.6022 -45.0004 -22.0728 TIMING: 3926200 CPU: 11410, 0.0029154/step Wall: 11410, 0.0029154/step, 0.869598 hours remaining, 207.406250 MB of memory in use. ENERGY: 3926200 773.8645 2094.7217 1961.9448 114.6040 -206091.1036 17702.8749 0.0000 0.0000 34208.3205 -149234.7732 298.7498 -183443.0937 -149144.4958 298.9178 -80.7990 -50.8304 558037.0429 1.7314 1.4806 PRESSURE: 3926400 -196.842 38.0152 -68.6008 38.0141 69.1473 -39.2271 -68.6005 -39.2263 42.8965 GPRESSURE: 3926400 -132.055 81.2225 -37.4692 87.4212 84.0643 -55.9251 -101.297 -28.6526 66.0221 PRESSAVG: 3926400 39.2253 -18.5158 -24.7286 -18.5159 -60.8187 24.0506 -24.7286 24.0504 32.3756 GPRESSAVG: 3926400 39.9325 -19.4266 -26.6747 -19.5946 -61.0723 25.3167 -22.8158 22.3452 31.5544 TIMING: 3926400 CPU: 11410.6, 0.00289439/step Wall: 11410.6, 0.00289439/step, 0.863172 hours remaining, 207.406250 MB of memory in use. ENERGY: 3926400 769.3178 2092.0443 1945.8370 111.8320 -206135.2947 17824.1574 0.0000 0.0000 34203.7547 -149188.3514 298.7099 -183392.1061 -149086.8709 299.5068 -28.2662 6.0104 558087.8046 3.5941 3.4716 PRESSURE: 3926600 165.293 -32.4579 -11.6624 -32.4577 235.802 -137.79 -11.6616 -137.789 160.746 GPRESSURE: 3926600 170.527 -89.2662 63.1078 -28.3839 273.456 -94.3127 31.6933 -100.548 219.526 PRESSAVG: 3926600 8.68061 -37.7303 10.4152 -37.7304 -39.8078 -27.8191 10.4152 -27.8191 25.7761 GPRESSAVG: 3926600 8.80339 -37.1958 11.3713 -38.1369 -39.2278 -28.5589 8.74778 -27.6725 25.3172 TIMING: 3926600 CPU: 11411.2, 0.00291023/step Wall: 11411.2, 0.00291023/step, 0.867735 hours remaining, 207.406250 MB of memory in use. ENERGY: 3926600 720.6994 2079.3497 1956.0709 108.3110 -206726.0372 18057.5972 0.0000 0.0000 34402.5996 -149401.4093 300.4465 -183804.0089 -149301.9926 298.5879 187.2804 221.1696 556550.5870 -1.7837 -1.7024 PRESSURE: 3926800 -60.5888 -134.499 -94.8691 -134.5 -4.56988 -32.9132 -94.8694 -32.913 57.9213 GPRESSURE: 3926800 14.9882 -150.194 -179.731 -90.2353 1.60557 -124.068 -65.0325 -44.545 80.1008 PRESSAVG: 3926800 -6.53349 -32.2596 -8.01581 -32.2596 -30.5632 -31.1413 -8.01582 -31.1412 22.906 GPRESSAVG: 3926800 -7.47494 -30.875 -8.75498 -31.6192 -30.8077 -32.3127 -6.19283 -29.667 23.9084 TIMING: 3926800 CPU: 11411.8, 0.00288762/step Wall: 11411.8, 0.00288762/step, 0.860833 hours remaining, 207.406250 MB of memory in use. ENERGY: 3926800 717.1484 2064.1576 1928.3780 115.6235 -206255.4838 17855.2431 0.0000 0.0000 34223.7042 -149351.2290 298.8841 -183574.9332 -149248.7533 299.1681 -2.4125 32.2315 558427.3274 -4.7302 -4.7914 PRESSURE: 3927000 -145.465 14.2593 -76.4566 14.2593 -140.153 259.938 -76.4556 259.938 50.2659 GPRESSURE: 3927000 -106.05 28.9754 -97.2362 3.49832 -122.411 189.783 -39.7422 214.832 88.61 PRESSAVG: 3927000 17.2533 33.7335 9.82641 33.7335 -39.2006 -22.8281 9.82654 -22.828 26.878 GPRESSAVG: 3927000 17.6814 33.7304 9.28086 32.2148 -39.8482 -22.9092 10.3802 -23.5341 27.2818 TIMING: 3927000 CPU: 11412.3, 0.00288294/step Wall: 11412.3, 0.00288294/step, 0.859275 hours remaining, 207.406250 MB of memory in use. ENERGY: 3927000 716.5769 2068.0788 1932.1313 108.5297 -206178.2295 17649.4294 0.0000 0.0000 34144.8289 -149558.6545 298.1953 -183703.4834 -149451.6609 298.7591 -78.4508 -46.6169 557001.6073 1.6436 1.7050 PRESSURE: 3927200 -174.035 -145.869 89.9441 -145.867 22.8278 -109.979 89.9446 -109.98 -169.557 GPRESSURE: 3927200 -103.667 -79.3139 42.9611 -151.811 22.8199 -59.1455 194.935 -92.0863 -143.154 PRESSAVG: 3927200 28.7175 29.8913 25.2802 29.8913 -6.11369 55.9793 25.2802 55.9793 -37.442 GPRESSAVG: 3927200 28.3063 28.0593 26.7026 29.8705 -5.66053 59.6935 24.3448 56.1815 -37.4067 TIMING: 3927200 CPU: 11412.9, 0.00290515/step Wall: 11412.9, 0.00290515/step, 0.865735 hours remaining, 207.406250 MB of memory in use. ENERGY: 3927200 716.8611 2144.1457 1929.8973 109.3886 -206240.9908 17595.1886 0.0000 0.0000 34309.4893 -149436.0201 299.6333 -183745.5094 -149341.7101 298.6023 -106.9217 -74.6670 557956.6187 -4.9460 -4.9203 PRESSURE: 3927400 -92.1554 103.127 -120.059 103.128 -187.421 -59.5334 -120.059 -59.5319 -127.16 GPRESSURE: 3927400 -89.0002 84.5097 -95.9473 204.488 -193.641 43.7892 -132.204 -112.697 -28.5824 PRESSAVG: 3927400 15.106 10.1559 71.5611 10.1559 -1.49334 -3.10925 71.561 -3.10929 -5.92562 GPRESSAVG: 3927400 15.1029 11.3663 70.9622 12.3888 -2.03823 -5.62166 71.4041 -3.70197 -5.76314 TIMING: 3927400 CPU: 11413.5, 0.00289726/step Wall: 11413.5, 0.00289726/step, 0.863222 hours remaining, 207.406250 MB of memory in use. ENERGY: 3927400 719.5700 2071.7746 1941.4310 111.6212 -206398.9304 17678.3917 0.0000 0.0000 34310.6527 -149565.4893 299.6435 -183876.1420 -149471.6854 298.9440 -135.5787 -103.7412 557715.4756 2.5623 2.4338 PRESSURE: 3927600 -262.077 -86.3566 -37.8563 -86.3568 -213.25 -52.9865 -37.8572 -52.9853 66.4757 GPRESSURE: 3927600 -206.176 -9.88641 22.4333 -193.72 -159.985 -66.6749 -102.81 -96.0154 46.0249 PRESSAVG: 3927600 -16.4884 -0.463895 -10.7222 -0.463891 2.20469 -24.8648 -10.7221 -24.8647 4.67851 GPRESSAVG: 3927600 -15.8729 -0.310746 -10.5805 -3.42685 3.43308 -25.6491 -9.71113 -24.4822 3.28272 TIMING: 3927600 CPU: 11414.1, 0.00290588/step Wall: 11414.1, 0.00290588/step, 0.86563 hours remaining, 207.406250 MB of memory in use. ENERGY: 3927600 748.1351 2109.3533 1924.1255 111.5439 -206274.8576 17776.6076 0.0000 0.0000 34216.3122 -149388.7801 298.8196 -183605.0923 -149289.8514 298.7004 -136.2839 -106.7121 560417.9087 -3.2017 -3.0524 PRESSURE: 3927800 21.6026 -56.9467 51.24 -56.9468 124.336 36.0446 51.2401 36.0454 161.757 GPRESSURE: 3927800 122.92 -76.0571 -39.0666 -5.61204 139.243 35.1727 149.174 11.9264 147.834 PRESSAVG: 3927800 68.4689 41.6118 -27.5614 41.6117 -49.502 15.1021 -27.5615 15.102 -1.93944 GPRESSAVG: 3927800 67.7702 40.9978 -28.7472 43.2284 -50.9642 15.8479 -28.1951 14.8399 0.00602179 TIMING: 3927800 CPU: 11414.7, 0.0029357/step Wall: 11414.7, 0.0029357/step, 0.874348 hours remaining, 207.406250 MB of memory in use. ENERGY: 3927800 779.0636 2058.0742 1953.2503 121.0796 -206587.2178 18206.3859 0.0000 0.0000 34054.1375 -149415.2267 297.4033 -183469.3642 -149317.0028 298.6838 102.5652 136.6655 558886.2924 5.6758 5.6040 PRESSURE: 3928000 16.259 -134.823 -100.945 -134.823 54.1558 -98.4967 -100.945 -98.4972 71.5964 GPRESSURE: 3928000 60.4335 -64.7605 -133.118 -73.4291 100.697 -77.7838 -48.5565 -119.075 74.517 PRESSAVG: 3928000 81.2115 -27.2491 -12.6916 -27.249 -30.516 -67.2028 -12.6916 -67.2029 -33.6119 GPRESSAVG: 3928000 81.6927 -27.4338 -11.8874 -27.7988 -30.065 -66.4163 -11.8814 -68.3808 -34.4183 TIMING: 3928000 CPU: 11415.3, 0.00291789/step Wall: 11415.3, 0.00291789/step, 0.868881 hours remaining, 207.406250 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: 3928000 721.5746 2088.8475 1949.8695 109.3606 -206774.0451 18057.0202 0.0000 0.0000 34272.6330 -149574.7398 299.3114 -183847.3728 -149479.0163 298.5530 47.3371 78.5492 558546.5989 5.6945 5.7365 PRESSURE: 3928200 52.6699 -8.33957 134.148 -8.33892 145.824 -71.0522 134.148 -71.0537 -113.814 GPRESSURE: 3928200 44.9799 -57.7201 71.0745 51.0693 170.341 -139.313 130.61 -52.3385 -16.5003 PRESSAVG: 3928200 -2.40527 -23.3428 32.3028 -23.3429 -36.1067 -20.5685 32.3028 -20.5684 27.9329 GPRESSAVG: 3928200 -1.76803 -22.5139 32.7348 -23.3694 -36.3664 -19.9531 30.7274 -21.5536 27.823 TIMING: 3928200 CPU: 11415.8, 0.00292011/step Wall: 11415.8, 0.00292011/step, 0.869383 hours remaining, 207.406250 MB of memory in use. ENERGY: 3928200 765.2608 2059.5990 1969.7840 114.6584 -206792.3204 18043.4845 0.0000 0.0000 34336.4303 -149503.1034 299.8686 -183839.5337 -149406.7964 298.5425 28.2266 66.2736 557993.9180 -3.5264 -3.4372 LDB: ============= START OF LOAD BALANCING ============== 11419.3 LDB: ============== END OF LOAD BALANCING =============== 11419.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11419.3 LDB: ============= START OF LOAD BALANCING ============== 11419.6 LDB: Largest compute 4848 load 0.028229 is 24.0% of average load 0.117769 LDB: Average compute 0.001738 is 1.5% of average load 0.117769 LDB: TIME 11419.6 LOAD: AVG 0.117769 MAX 0.181835 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 11419.6 LOAD: AVG 0.117769 MAX 0.181835 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: TIME 11419.6 LOAD: AVG 0.117769 MAX 0.181835 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11419.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11419.6 PRESSURE: 3928400 -151.45 -91.071 -33.2415 -91.0719 -63.7786 -42.6553 -33.2414 -42.6522 -17.2991 GPRESSURE: 3928400 -141.993 -130.148 -24.0774 -81.1421 -26.2341 -15.5613 -1.84651 -103.915 20.6913 PRESSAVG: 3928400 33.1946 -8.32411 -25.7877 -8.32418 -46.9149 3.47835 -25.7876 3.4784 -1.14421 GPRESSAVG: 3928400 32.8342 -8.93039 -26.4402 -7.49552 -47.3351 3.60928 -26.0512 4.16486 -1.01414 TIMING: 3928400 CPU: 11416.4, 0.00297721/step Wall: 11416.4, 0.00297721/step, 0.886216 hours remaining, 209.410156 MB of memory in use. ENERGY: 3928400 748.0016 2037.6191 1955.5434 122.4526 -206494.1335 17859.9393 0.0000 0.0000 34132.3672 -149638.2103 298.0865 -183770.5775 -149539.7833 298.4331 -77.5093 -49.1787 559606.5473 -4.9548 -5.1717 PRESSURE: 3928600 101.936 155.281 69.117 155.281 -159.289 -60.5416 69.116 -60.5409 -156.546 GPRESSURE: 3928600 174.589 126.406 50.0664 197.189 -158.777 -117.904 103.444 -80.0012 -125.403 PRESSAVG: 3928600 32.1583 -0.556055 -23.68 -0.556092 -42.1902 -56.4766 -23.68 -56.4765 20.1505 GPRESSAVG: 3928600 32.6315 0.0654328 -22.8277 -0.244905 -41.7127 -57.2389 -21.7592 -55.5353 19.4905 TIMING: 3928600 CPU: 11417, 0.00290981/step Wall: 11417, 0.00290981/step, 0.865991 hours remaining, 209.613281 MB of memory in use. ENERGY: 3928600 735.7116 2093.0989 1943.7537 116.5712 -206390.1378 17995.8307 0.0000 0.0000 33908.0549 -149597.1169 296.1275 -183505.1718 -149502.7670 297.9510 -71.2997 -36.5302 560254.5249 3.3729 3.4698 PRESSURE: 3928800 -77.4469 -71.072 83.8148 -71.072 -154.127 -7.53843 83.8149 -7.53941 -93.0204 GPRESSURE: 3928800 -94.3078 11.621 84.3173 -169.541 -15.7205 18.7929 100.364 -56.2358 -116.035 PRESSAVG: 3928800 55.8276 -38.6278 46.6751 -38.6278 2.00852 -17.4563 46.6751 -17.4562 -57.6916 GPRESSAVG: 3928800 55.5727 -37.3324 47.371 -39.9505 3.22766 -17.2456 44.9381 -17.5741 -58.7571 TIMING: 3928800 CPU: 11417.6, 0.00291068/step Wall: 11417.6, 0.00291068/step, 0.866089 hours remaining, 209.613281 MB of memory in use. ENERGY: 3928800 740.0197 2068.2956 1939.9508 121.1399 -206090.5184 17793.0514 0.0000 0.0000 34109.9617 -149318.0993 297.8908 -183428.0610 -149230.8340 298.1133 -108.1980 -75.3544 558344.3256 0.0482 0.0144 PRESSURE: 3929000 24.659 21.4619 -82.8092 21.4597 -76.6057 -84.7407 -82.8077 -84.7411 1.49938 GPRESSURE: 3929000 7.52393 37.174 -95.872 71.6502 -48.7186 -46.0739 -17.1033 -58.5192 87.8445 PRESSAVG: 3929000 41.2986 -7.39297 -0.875121 -7.39298 0.426214 -78.932 -0.875188 -78.932 -6.52117 GPRESSAVG: 3929000 41.3816 -7.70212 -2.01557 -5.96963 -1.36355 -79.4822 0.0216686 -78.5873 -4.89529 TIMING: 3929000 CPU: 11418.2, 0.0029195/step Wall: 11418.2, 0.0029195/step, 0.868552 hours remaining, 209.613281 MB of memory in use. ENERGY: 3929000 757.9888 2084.5118 1938.2586 106.8613 -206427.9369 17961.4856 0.0000 0.0000 34172.1188 -149406.7120 298.4336 -183578.8308 -149314.2398 298.7274 -16.8158 15.5499 557926.9759 11.7346 11.7076 PRESSURE: 3929200 157.271 7.35526 200.655 7.35521 -18.7308 -90.7945 200.655 -90.796 -142.294 GPRESSURE: 3929200 173.119 -26.5478 125.799 -17.6824 17.4707 -96.5232 230.503 -111.778 -91.3724 PRESSAVG: 3929200 28.0605 26.5725 31.5266 26.5724 19.3708 -0.698051 31.5266 -0.698221 -45.3219 GPRESSAVG: 3929200 27.7772 24.3329 34.4178 26.5887 21.4399 1.76886 29.2928 -2.54023 -46.5909 TIMING: 3929200 CPU: 11418.8, 0.00292926/step Wall: 11418.8, 0.00292926/step, 0.871291 hours remaining, 209.613281 MB of memory in use. ENERGY: 3929200 760.5985 2088.6702 1932.2069 113.9730 -206649.6145 17948.3744 0.0000 0.0000 34396.2979 -149409.4937 300.3914 -183805.7915 -149309.1051 298.8569 -1.2514 33.0724 557526.6308 0.7031 0.8754 PRESSURE: 3929400 -127.953 -88.5428 72.3578 -88.5424 278.157 -35.2417 72.3569 -35.2417 60.274 GPRESSURE: 3929400 -87.2208 -32.4323 121.972 -115.889 334.037 92.5743 73.0334 -27.0353 72.3696 PRESSAVG: 3929400 -9.70581 14.0881 -12.5766 14.0879 -11.4604 -5.45713 -12.5767 -5.45714 -28.4162 GPRESSAVG: 3929400 -10.5535 14.9168 -14.5294 12.794 -12.7542 -8.62612 -11.3414 -3.18945 -26.6592 TIMING: 3929400 CPU: 11419.4, 0.00290316/step Wall: 11419.4, 0.00290316/step, 0.863366 hours remaining, 209.613281 MB of memory in use. ENERGY: 3929400 760.7230 2068.5740 1925.9395 114.0807 -206537.4533 18022.6905 0.0000 0.0000 34262.0205 -149383.4251 299.2187 -183645.4456 -149287.7835 298.9785 70.1593 106.3952 556740.3015 -16.5275 -16.6557 PRESSURE: 3929600 -66.6307 -105.766 31.5048 -105.767 9.20031 -150.821 31.5056 -150.821 -56.1144 GPRESSURE: 3929600 -24.7789 -47.7843 97.5245 -77.564 3.30059 -181.53 -69.2787 -121.315 -1.181 PRESSAVG: 3929600 16.9597 8.10037 -37.0888 8.10034 30.0666 -43.6046 -37.0888 -43.6045 -35.9968 GPRESSAVG: 3929600 18.0915 7.84006 -37.0988 7.98032 30.0716 -42.8132 -37.1288 -43.9208 -36.7121 TIMING: 3929600 CPU: 11419.9, 0.00289872/step Wall: 11419.9, 0.00289872/step, 0.861886 hours remaining, 209.613281 MB of memory in use. ENERGY: 3929600 733.2036 2088.0520 1935.1218 127.4202 -206185.8352 17648.3203 0.0000 0.0000 34134.7638 -149518.9536 298.1074 -183653.7174 -149421.9263 298.5603 -37.8483 -7.5531 556532.6399 3.6765 3.8170 PRESSURE: 3929800 -98.8949 -78.1098 -125.227 -78.1098 46.2601 124.431 -125.227 124.43 -173.161 GPRESSURE: 3929800 -77.0667 -130.806 -5.98456 -130.235 95.9687 45.6122 -116.453 89.8224 -152.063 PRESSAVG: 3929800 -21.0036 8.2233 -8.44755 8.22321 33.2744 6.5122 -8.44764 6.51218 -34.1171 GPRESSAVG: 3929800 -21.3073 7.71971 -9.43375 9.70427 33.9457 7.5169 -8.26521 5.35457 -34.2882 TIMING: 3929800 CPU: 11420.5, 0.00288383/step Wall: 11420.5, 0.00288383/step, 0.857299 hours remaining, 209.613281 MB of memory in use. ENERGY: 3929800 749.9350 2076.6534 1943.9355 111.5919 -206667.9214 17880.8880 0.0000 0.0000 34338.3835 -149566.5341 299.8856 -183904.9176 -149472.2615 298.3564 -75.2652 -44.3870 554579.3633 -7.2821 -7.2166 PRESSURE: 3930000 -122.992 68.3145 95.4105 68.3153 -30.2638 91.9175 95.4091 91.9162 -156.041 GPRESSURE: 3930000 -71.6671 -0.708524 73.1077 75.4204 -44.6739 162.699 52.2906 124.656 -97.749 PRESSAVG: 3930000 41.5187 -7.48026 54.743 -7.4802 -27.1895 8.89534 54.743 8.89537 -29.4265 GPRESSAVG: 3930000 41.4696 -8.06679 56.687 -8.0137 -27.5914 8.52372 52.7143 9.87846 -29.0415 TIMING: 3930000 CPU: 11421.1, 0.00288149/step Wall: 11421.1, 0.00288149/step, 0.856444 hours remaining, 209.613281 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: 3930000 734.8130 2100.7894 1975.4720 118.0828 -206449.1066 17776.0099 0.0000 0.0000 34128.8773 -149615.0623 298.0560 -183743.9396 -149525.8780 298.0147 -103.0988 -71.3633 557097.9758 -5.0324 -5.0544 PRESSURE: 3930200 257.411 21.5801 158.502 21.5799 -2.63635 214.434 158.502 214.435 169.581 GPRESSURE: 3930200 237.971 -98.5515 133.569 132.215 64.7448 341.823 148.37 172.26 229.309 PRESSAVG: 3930200 0.516184 47.9403 56.2705 47.9404 -12.6026 31.4513 56.2704 31.4513 -10.003 GPRESSAVG: 3930200 0.0712107 47.5521 54.3392 48.9432 -13.3913 33.2615 58.73 29.9915 -8.87467 TIMING: 3930200 CPU: 11421.7, 0.00289534/step Wall: 11421.7, 0.00289534/step, 0.860397 hours remaining, 209.613281 MB of memory in use. ENERGY: 3930200 747.5788 2086.4278 1919.6635 120.1433 -206956.7294 18323.7294 0.0000 0.0000 34158.9196 -149600.2671 298.3183 -183759.1868 -149507.9652 297.9263 141.4521 177.3416 555233.1682 -7.3631 -7.3982 PRESSURE: 3930400 230.132 33.2355 -34.069 33.236 -111.157 -8.10293 -34.0686 -8.10463 -67.8435 GPRESSURE: 3930400 270.514 -33.7779 48.6699 -8.37597 -79.8282 9.3328 -122.944 -25.8009 -29.5166 PRESSAVG: 3930400 25.8665 12.7439 -24.1444 12.7439 -62.8153 -0.331408 -24.1444 -0.331448 41.6323 GPRESSAVG: 3930400 26.316 12.857 -21.6565 12.4717 -62.3377 -1.76445 -26.2851 0.292306 40.5113 TIMING: 3930400 CPU: 11422.2, 0.00289809/step Wall: 11422.2, 0.00289809/step, 0.861055 hours remaining, 209.613281 MB of memory in use. ENERGY: 3930400 731.1119 2054.6303 1950.5312 113.3054 -206419.0659 17806.0099 0.0000 0.0000 34308.9486 -149454.5286 299.6286 -183763.4772 -149360.1298 298.3237 17.0437 53.7231 556098.6657 1.5612 1.4965 PRESSURE: 3930600 58.6658 120.458 -76.8769 120.456 69.5189 -33.8883 -76.8781 -33.8875 70.5457 GPRESSURE: 3930600 90.8122 48.9537 -17.6505 170.38 104.537 -24.7567 -93.4279 -12.603 105.232 PRESSAVG: 3930600 -3.30584 38.1203 23.3959 38.1203 -56.4188 -40.7888 23.396 -40.7889 12.8638 GPRESSAVG: 3930600 -4.3229 38.2939 22.0761 38.8455 -56.5071 -42.2479 23.1291 -37.5715 13.9794 TIMING: 3930600 CPU: 11422.8, 0.00289765/step Wall: 11422.8, 0.00289765/step, 0.860763 hours remaining, 209.613281 MB of memory in use. ENERGY: 3930600 747.0559 2075.7749 1931.2318 117.3301 -206542.3054 18102.4193 0.0000 0.0000 34140.8656 -149427.6279 298.1607 -183568.4935 -149335.0817 299.0763 66.2435 100.1936 555888.6645 -15.6203 -15.6169 PRESSURE: 3930800 64.3564 107.398 94.6929 107.4 -33.3551 164.585 94.6933 164.586 -195.065 GPRESSURE: 3930800 122.418 205.8 144.17 34.4193 -39.1735 100.479 74.6993 179.139 -147.332 PRESSAVG: 3930800 22.6213 50.512 -31.8226 50.512 -53.8717 -8.35091 -31.8225 -8.3509 46.0722 GPRESSAVG: 3930800 24.4009 50.9869 -30.3568 49.6445 -54.0701 -6.05832 -32.4053 -11.6187 44.3636 TIMING: 3930800 CPU: 11423.4, 0.00289135/step Wall: 11423.4, 0.00289135/step, 0.85873 hours remaining, 209.613281 MB of memory in use. ENERGY: 3930800 757.2904 2048.0944 1965.0284 112.6821 -206254.7524 17888.1264 0.0000 0.0000 34136.0780 -149347.4528 298.1189 -183483.5308 -149248.6570 298.2872 -54.6877 -21.3625 557624.3518 4.9406 4.8981 PRESSURE: 3931000 -137.656 -57.6357 89.7399 -57.6349 161.923 4.41831 89.7396 4.41723 38.4385 GPRESSURE: 3931000 -69.2159 -61.833 43.4898 -51.8614 165.102 97.6042 148.2 17.1376 63.4205 PRESSAVG: 3931000 -29.389 40.3231 5.61371 40.3231 77.35 -10.1015 5.61371 -10.1014 -36.9956 GPRESSAVG: 3931000 -31.0527 39.5156 4.06963 39.3213 78.0713 -10.6119 8.92978 -10.5803 -36.2558 TIMING: 3931000 CPU: 11424, 0.00292914/step Wall: 11424, 0.00292913/step, 0.86979 hours remaining, 209.613281 MB of memory in use. ENERGY: 3931000 745.0325 2085.4317 1946.5775 118.1718 -206644.6419 17910.2468 0.0000 0.0000 34269.7555 -149569.4261 299.2863 -183839.1815 -149477.0740 299.1911 20.9017 53.1022 556478.3109 3.6551 3.5876 PRESSURE: 3931200 162.417 33.7645 63.2158 33.7632 -273.195 8.88827 63.2161 8.88851 4.83364 GPRESSURE: 3931200 180.505 24.4688 -27.8216 -39.9368 -253.817 -121.56 148.026 139.556 65.1169 PRESSAVG: 3931200 77.7945 -30.3989 -13.4488 -30.399 33.2933 24.2704 -13.4489 24.2704 -63.3698 GPRESSAVG: 3931200 77.827 -29.7028 -13.1116 -30.1239 34.2391 25.5058 -14.173 26.9596 -64.2871 TIMING: 3931200 CPU: 11424.6, 0.00295493/step Wall: 11424.6, 0.00295493/step, 0.877287 hours remaining, 209.613281 MB of memory in use. ENERGY: 3931200 713.5164 2095.1456 1931.7779 110.7213 -206361.3496 17738.7770 0.0000 0.0000 34252.6995 -149518.7120 299.1373 -183771.4115 -149417.9350 298.2951 -35.3148 -2.7318 556820.2665 15.9060 15.9263 PRESSURE: 3931400 87.5405 69.8578 -80.3042 69.8583 -222.46 110.016 -80.3039 110.016 94.3497 GPRESSURE: 3931400 80.2294 -0.246474 -105.189 159.009 -135.118 94.5201 -110.029 120.552 123.631 PRESSAVG: 3931400 4.00112 -11.2923 -17.2942 -11.2925 31.9272 -18.448 -17.2942 -18.4479 -36.4716 GPRESSAVG: 3931400 3.44156 -11.2558 -17.447 -10.9745 30.4503 -19.0367 -18.6117 -21.1854 -34.7562 TIMING: 3931400 CPU: 11425.2, 0.00292039/step Wall: 11425.2, 0.00292039/step, 0.86687 hours remaining, 209.613281 MB of memory in use. ENERGY: 3931400 731.8675 2056.7874 1979.1955 120.4559 -206401.7255 17781.6895 0.0000 0.0000 34154.0212 -149577.7085 298.2756 -183731.7297 -149479.4147 297.6682 -13.5233 22.9143 556200.0572 -0.1811 -0.2881 PRESSURE: 3931600 59.2733 14.9023 87.7433 14.9025 -4.43118 3.36739 87.7443 3.36799 -78.1819 GPRESSURE: 3931600 44.722 38.3123 10.217 -71.4837 29.2004 -10.3013 96.7197 27.3942 -10.9328 PRESSAVG: 3931600 -5.22563 -24.6601 13.2767 -24.6602 56.1229 -13.6168 13.2767 -13.6168 -5.69169 GPRESSAVG: 3931600 -5.55408 -25.458 13.0885 -24.4165 56.3631 -13.7065 12.196 -11.5251 -6.12194 TIMING: 3931600 CPU: 11425.8, 0.0029316/step Wall: 11425.8, 0.0029316/step, 0.870035 hours remaining, 209.613281 MB of memory in use. ENERGY: 3931600 769.7518 2100.8553 1953.6853 120.2560 -206498.8919 17809.9624 0.0000 0.0000 34053.1476 -149691.2337 297.3946 -183744.3813 -149593.9720 297.7886 -7.7800 20.9965 556838.1492 15.0685 14.8957 PRESSURE: 3931800 -115.241 -33.6297 97.5765 -33.6295 45.1052 -115.342 97.5768 -115.342 -49.8639 GPRESSURE: 3931800 -79.8341 7.32854 64.2538 -79.8436 89.9345 -25.8324 71.4134 -97.1345 -36.8284 PRESSAVG: 3931800 -27.047 -61.1495 55.7019 -61.1495 62.9296 15.3353 55.7017 15.3352 -70.6075 GPRESSAVG: 3931800 -25.8821 -60.5384 57.3913 -60.2987 63.1013 15.6092 55.2242 15.7325 -72.2431 TIMING: 3931800 CPU: 11426.3, 0.00293886/step Wall: 11426.3, 0.00293886/step, 0.872024 hours remaining, 209.613281 MB of memory in use. ENERGY: 3931800 751.3764 2037.0920 1939.5469 119.9142 -206413.6377 17837.8038 0.0000 0.0000 34260.6749 -149467.2296 299.2070 -183727.9045 -149375.6958 298.3820 -39.9999 -8.9093 556609.9241 -11.5750 -11.6747 PRESSURE: 3932000 -214.218 -105.517 -87.4964 -105.518 -130.092 -119.865 -87.4969 -119.865 -208.898 GPRESSURE: 3932000 -185.272 -98.0459 -141.56 -136.428 -52.7754 -147.856 10.4928 -120.922 -223.488 PRESSAVG: 3932000 54.8061 7.83222 -25.0201 7.83219 -39.1146 8.82937 -25.02 8.82939 30.5915 GPRESSAVG: 3932000 53.3714 11.0501 -26.9108 5.63272 -38.753 9.38978 -22.6472 6.46845 31.5339 TIMING: 3932000 CPU: 11426.9, 0.00294845/step Wall: 11426.9, 0.00294845/step, 0.874707 hours remaining, 209.613281 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: 3932000 771.0067 2070.7944 1944.2337 124.0677 -206123.5124 17478.4073 0.0000 0.0000 34078.5305 -149656.4720 297.6163 -183735.0025 -149555.6993 298.7950 -184.4027 -153.8452 557260.1252 15.4277 15.3841 PRESSURE: 3932200 147.871 163.611 10.141 163.612 -237.62 -73.0267 10.141 -73.027 -116.555 GPRESSURE: 3932200 169.239 223.183 -67.4579 79.2516 -205.751 -95.4835 54.6381 -115.737 -66.338 PRESSAVG: 3932200 -6.16032 -38.4523 -7.77317 -38.4522 -6.83538 -11.543 -7.77313 -11.5429 -30.2023 GPRESSAVG: 3932200 -5.0443 -41.527 -7.9679 -35.7887 -7.58695 -11.6153 -8.91935 -10.1077 -30.9235 TIMING: 3932200 CPU: 11427.5, 0.00293238/step Wall: 11427.5, 0.00293238/step, 0.869775 hours remaining, 209.613281 MB of memory in use. ENERGY: 3932200 729.2293 2033.0170 1975.9563 112.9647 -206403.4065 17764.3940 0.0000 0.0000 34214.4086 -149573.4368 298.8029 -183787.8454 -149474.1147 297.8107 -68.7679 -34.2831 558370.0927 -14.3993 -14.5183 LDB: ============= START OF LOAD BALANCING ============== 11431 LDB: ============== END OF LOAD BALANCING =============== 11431 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11431 LDB: ============= START OF LOAD BALANCING ============== 11431.3 LDB: Largest compute 4820 load 0.029863 is 25.3% of average load 0.117853 LDB: Average compute 0.001739 is 1.5% of average load 0.117853 LDB: TIME 11431.3 LOAD: AVG 0.117853 MAX 0.182112 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.855 MB LDB: TIME 11431.3 LOAD: AVG 0.117853 MAX 0.182112 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: TIME 11431.3 LOAD: AVG 0.117853 MAX 0.182112 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.098 MB LDB: ============== END OF LOAD BALANCING =============== 11431.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11431.3 PRESSURE: 3932400 56.2345 90.4437 57.5584 90.4446 28.0405 -37.8236 57.5572 -37.8246 -254.811 GPRESSURE: 3932400 79.9021 79.5782 11.8853 72.449 2.60481 17.0997 40.3932 -54.2683 -160.725 PRESSAVG: 3932400 -25.1422 51.1639 -31.7395 51.1639 31.8593 -35.3616 -31.7394 -35.3616 -5.45714 GPRESSAVG: 3932400 -26.0597 52.1216 -31.4097 49.9411 32.5128 -34.0432 -31.7756 -36.6055 -4.97443 TIMING: 3932400 CPU: 11428.1, 0.0029672/step Wall: 11428.1, 0.0029672/step, 0.87994 hours remaining, 206.902344 MB of memory in use. ENERGY: 3932400 757.6623 2067.5146 1955.4001 119.2147 -206370.2904 17797.2865 0.0000 0.0000 34291.3341 -149381.8782 299.4747 -183673.2123 -149287.3803 298.7656 -56.8452 -26.0728 557526.2184 0.4200 0.4929 PRESSURE: 3932600 306.067 98.1445 69.9208 98.1443 -99.1122 -92.6505 69.9203 -92.6497 -81.1622 GPRESSURE: 3932600 277.9 88.5125 92.6475 69.0528 -35.7298 -125.57 42.7022 -83.8087 -18.3776 PRESSAVG: 3932600 -21.6146 0.785808 -40.3528 0.785887 -47.37 -54.6221 -40.3528 -54.6222 49.4169 GPRESSAVG: 3932600 -21.2843 0.468306 -39.9509 0.97238 -47.725 -56.3226 -40.4304 -53.1597 48.9743 TIMING: 3932600 CPU: 11428.7, 0.00291361/step Wall: 11428.7, 0.00291361/step, 0.863886 hours remaining, 206.902344 MB of memory in use. ENERGY: 3932600 739.0699 2120.0324 1937.0888 107.2806 -206234.4000 17788.9011 0.0000 0.0000 34338.6901 -149203.3372 299.8883 -183542.0273 -149107.0272 299.2356 41.9309 74.5975 557395.5966 -6.5225 -6.6783 PRESSURE: 3932800 90.9745 -117.259 -56.6154 -117.261 4.48603 -246.216 -56.614 -246.215 -194.518 GPRESSURE: 3932800 85.6226 -93.7018 -63.9537 -188.36 6.64383 -297.799 -65.3174 -260.288 -84.4434 PRESSAVG: 3932800 21.7548 15.3572 -13.7602 15.3572 -12.9713 18.5718 -13.7602 18.5719 -19.747 GPRESSAVG: 3932800 22.3562 15.3537 -13.9296 14.0683 -13.9792 19.3751 -14.3422 20.4364 -19.2826 TIMING: 3932800 CPU: 11429.3, 0.00291301/step Wall: 11429.3, 0.00291301/step, 0.863546 hours remaining, 206.902344 MB of memory in use. ENERGY: 3932800 747.4591 2110.3623 1935.1119 107.8976 -206312.2572 17858.6410 0.0000 0.0000 34291.7280 -149261.0574 299.4782 -183552.7854 -149160.6903 299.9436 -33.0192 2.6077 558688.1067 -3.6545 -3.6352 PRESSURE: 3933000 35.364 -76.1872 50.7255 -76.1885 262.798 -17.9606 50.7242 -17.9603 -144.315 GPRESSURE: 3933000 61.243 -57.6739 136.128 -0.627963 304.338 -6.37456 73.276 40.7367 -132.064 PRESSAVG: 3933000 -12.9461 -49.4877 -31.3658 -49.4877 0.714865 9.89064 -31.3659 9.89057 -34.4342 GPRESSAVG: 3933000 -13.4748 -51.3012 -31.4478 -48.1345 2.43944 11.1352 -29.0151 7.29394 -35.4736 TIMING: 3933000 CPU: 11429.9, 0.00292778/step Wall: 11429.9, 0.00292778/step, 0.867761 hours remaining, 206.902344 MB of memory in use. ENERGY: 3933000 730.9879 2074.9747 1954.0102 109.3870 -206202.2528 17815.9170 0.0000 0.0000 34306.8493 -149210.1267 299.6102 -183516.9760 -149106.2992 299.5424 51.2824 77.8391 558191.1828 -15.5552 -15.5030 PRESSURE: 3933200 -7.65902 -30.5436 -92.4104 -30.5433 -24.9094 -66.9735 -92.4088 -66.9736 -63.4405 GPRESSURE: 3933200 48.7951 -33.4792 -151.602 -42.0921 -55.6726 -1.30661 -122.64 -113.403 6.42687 PRESSAVG: 3933200 1.25544 -45.1778 11.7759 -45.1778 64.0441 37.6875 11.7759 37.6876 -19.3391 GPRESSAVG: 3933200 1.07251 -43.6207 10.6033 -45.2516 62.4688 36.4604 12.4769 39.2797 -17.9201 TIMING: 3933200 CPU: 11430.4, 0.00291984/step Wall: 11430.4, 0.00291984/step, 0.865247 hours remaining, 206.902344 MB of memory in use. ENERGY: 3933200 748.7296 2149.5419 1938.6426 112.5424 -206331.2572 17843.9481 0.0000 0.0000 34295.4558 -149242.3968 299.5107 -183537.8526 -149141.4778 299.4897 -32.0030 -0.1502 557711.7782 15.3201 15.2071 PRESSURE: 3933400 15.8846 83.0344 -62.26 83.0343 84.4816 -26.3146 -62.2599 -26.3142 302.452 GPRESSURE: 3933400 85.0951 15.8248 -0.437115 123.652 88.4588 40.7311 -165.897 -101.126 324.287 PRESSAVG: 3933400 -56.082 -7.59898 -30.5929 -7.59898 30.7702 -11.4993 -30.5929 -11.4993 16.1875 GPRESSAVG: 3933400 -55.5221 -7.23663 -29.8112 -8.18469 32.1745 -13.4686 -31.8222 -12.4272 14.2984 TIMING: 3933400 CPU: 11431, 0.00292816/step Wall: 11431, 0.00292816/step, 0.867548 hours remaining, 206.902344 MB of memory in use. ENERGY: 3933400 770.0146 2116.7249 1933.3538 120.5775 -206276.0816 18023.0149 0.0000 0.0000 34268.4974 -149043.8985 299.2753 -183312.3959 -148946.0137 299.4747 134.2726 165.9470 557105.3394 -3.0414 -3.0164 PRESSURE: 3933600 -152.6 13.7574 121.41 13.7578 -569.067 6.91321 121.409 6.91368 -266.454 GPRESSURE: 3933600 -141.521 -92.9594 93.0582 3.4463 -497.808 -52.4948 119.168 106.628 -250.381 PRESSAVG: 3933600 13.2295 -15.9046 14.7248 -15.9046 -12.5724 -12.1485 14.7249 -12.1484 -20.8321 GPRESSAVG: 3933600 12.7486 -16.5173 17.6872 -14.1437 -12.3476 -8.88353 13.6686 -14.3254 -20.3457 TIMING: 3933600 CPU: 11431.6, 0.00291753/step Wall: 11431.6, 0.00291753/step, 0.864236 hours remaining, 206.902344 MB of memory in use. ENERGY: 3933600 779.0459 2086.7673 1950.2714 107.2306 -205753.7905 17434.6315 0.0000 0.0000 34310.6207 -149085.2230 299.6432 -183395.8437 -148984.1361 299.6364 -329.3734 -296.5699 558305.4490 -6.7250 -6.6482 PRESSURE: 3933800 36.276 125.772 136.214 125.771 -43.9304 35.8593 136.216 35.8586 -154.603 GPRESSURE: 3933800 88.2716 149.451 193.521 128.743 -99.362 55.0135 109.69 100.23 -68.3116 PRESSAVG: 3933800 -33.0943 -36.201 0.141211 -36.201 -20.6673 11.2324 0.141119 11.2325 97.1768 GPRESSAVG: 3933800 -32.8535 -36.334 -3.27576 -37.8316 -22.1116 12.0819 4.25969 11.4266 98.2366 TIMING: 3933800 CPU: 11432.2, 0.00292468/step Wall: 11432.2, 0.00292468/step, 0.866193 hours remaining, 206.902344 MB of memory in use. ENERGY: 3933800 736.3069 2128.1718 1928.1132 107.3315 -205919.8953 17722.3104 0.0000 0.0000 34457.8796 -148839.7819 300.9292 -183297.6615 -148738.6892 300.2878 -54.0859 -26.4673 558166.1460 14.4717 14.4238 PRESSURE: 3934000 -113.497 87.1384 15.5624 87.1389 -41.071 104.302 15.561 104.303 -8.19878 GPRESSURE: 3934000 -80.9011 82.8768 -57.7355 111.858 -25.8425 102.7 67.3511 135.999 34.5844 PRESSAVG: 3934000 7.16836 -8.07698 -8.56341 -8.07694 -18.2661 -2.24879 -8.56344 -2.24869 9.05852 GPRESSAVG: 3934000 7.97892 -8.75118 -8.92634 -6.59606 -17.5865 -3.79098 -11.6334 -2.68961 8.45122 TIMING: 3934000 CPU: 11432.8, 0.00290859/step Wall: 11432.8, 0.00290859/step, 0.861265 hours remaining, 206.902344 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: 3934000 766.0256 2096.8938 1981.4790 118.7354 -205872.3641 17730.4656 0.0000 0.0000 34201.6264 -148977.1383 298.6913 -183178.7647 -148881.6220 299.2419 -54.2555 -24.0530 559522.4291 -0.6797 -0.3854 PRESSURE: 3934200 60.3473 75.2139 28.1692 75.2142 269.334 28.5242 28.1693 28.526 -100.458 GPRESSURE: 3934200 99.9875 44.0655 13.3209 93.7734 269.794 25.1006 53.1294 80.8597 -36.9535 PRESSAVG: 3934200 57.0898 4.7571 -8.07386 4.75713 25.0429 -34.1403 -8.07389 -34.1402 -85.4842 GPRESSAVG: 3934200 55.8224 6.09618 -7.73114 4.41809 26.214 -34.2757 -9.57551 -31.9736 -85.031 TIMING: 3934200 CPU: 11433.4, 0.00294316/step Wall: 11433.4, 0.00294315/step, 0.871337 hours remaining, 206.902344 MB of memory in use. ENERGY: 3934200 783.8893 2147.5186 1929.6942 119.5025 -206381.7995 18092.0979 0.0000 0.0000 34164.9050 -149144.1921 298.3706 -183309.0971 -149058.3702 298.8428 76.4076 110.9425 558491.1012 -1.1172 -0.9982 PRESSURE: 3934400 27.8747 28.8163 -76.1151 28.8164 91.6459 -12.4372 -76.1149 -12.4372 -152.152 GPRESSURE: 3934400 49.1491 -59.3723 -94.418 69.2763 121.413 -30.7003 -25.5872 -111.985 -96.2127 PRESSAVG: 3934400 -6.24733 21.9123 -6.04045 21.9123 79.1191 -10.3452 -6.04044 -10.3452 -29.8149 GPRESSAVG: 3934400 -5.55186 21.8496 -4.12298 21.9381 78.5902 -10.5358 -5.37337 -10.648 -29.341 TIMING: 3934400 CPU: 11434, 0.00292452/step Wall: 11434, 0.00292452/step, 0.865657 hours remaining, 206.902344 MB of memory in use. ENERGY: 3934400 751.1639 2079.7656 1976.4441 113.9726 -206059.5427 17851.6539 0.0000 0.0000 34137.5370 -149149.0056 298.1316 -183286.5426 -149054.9823 298.9725 -10.8771 24.7831 560141.9849 14.3523 14.5657 PRESSURE: 3934600 -159.762 211.193 -127.042 211.192 -352.51 -250.262 -127.043 -250.264 -54.5072 GPRESSURE: 3934600 -148.143 192.084 -173.68 191.691 -269.325 -165.765 -83.3697 -208.191 -48.1084 PRESSAVG: 3934600 67.2082 -13.3613 -45.0292 -13.3613 -28.8085 -42.5454 -45.0292 -42.5455 -7.43328 GPRESSAVG: 3934600 67.1231 -12.6408 -45.763 -13.1965 -28.3032 -40.7246 -45.3828 -44.1794 -7.93513 TIMING: 3934600 CPU: 11434.5, 0.00289404/step Wall: 11434.5, 0.00289404/step, 0.856474 hours remaining, 206.902344 MB of memory in use. ENERGY: 3934600 799.6006 2086.7878 1964.0652 104.9118 -205744.9122 17680.5173 0.0000 0.0000 34123.3755 -148985.6540 298.0079 -183109.0295 -148893.2869 299.3421 -188.9263 -155.1921 560600.0352 10.3221 10.2949 PRESSURE: 3934800 -190.779 -86.9049 -68.6567 -86.9045 -61.658 -36.7438 -68.6577 -36.746 38.1722 GPRESSURE: 3934800 -131.608 -25.7449 -68.0208 -120.6 -86.5234 13.2271 -33.0763 -35.1909 99.0054 PRESSAVG: 3934800 0.0418034 7.49775 -55.5625 7.49781 -46.314 -47.9304 -55.5625 -47.9304 49.9362 GPRESSAVG: 3934800 0.413173 7.42982 -53.8575 5.81124 -47.8012 -50.2406 -54.3033 -45.5915 50.8258 TIMING: 3934800 CPU: 11435.1, 0.00291642/step Wall: 11435.1, 0.00291642/step, 0.862937 hours remaining, 207.164062 MB of memory in use. ENERGY: 3934800 732.7754 2132.9555 1947.6591 114.6051 -205769.2559 17745.7004 0.0000 0.0000 34214.5776 -148880.9827 298.8044 -183095.5603 -148788.7887 299.7690 -71.4216 -39.7088 559995.8455 1.2213 1.1459 PRESSURE: 3935000 49.8633 -124.221 178.695 -124.221 126.196 -64.2315 178.694 -64.2322 -6.21939 GPRESSURE: 3935000 46.0877 -147.161 97.7508 -148.477 181.061 -51.5832 248.661 -41.2469 42.5142 PRESSAVG: 3935000 -56.4303 -29.6259 -21.4119 -29.6258 30.7732 -2.31546 -21.412 -2.31546 18.2242 GPRESSAVG: 3935000 -57.3142 -29.0571 -24.3453 -28.0396 31.7569 -3.1608 -22.4474 -2.71184 17.8368 TIMING: 3935000 CPU: 11435.7, 0.00293349/step Wall: 11435.7, 0.00293349/step, 0.867825 hours remaining, 207.164062 MB of memory in use. ENERGY: 3935000 778.2409 2138.4797 1980.3233 111.9546 -205953.8627 17747.0705 0.0000 0.0000 34255.8497 -148941.9441 299.1649 -183197.7937 -148851.0860 300.5834 56.6132 89.8876 555184.4181 -2.4777 -2.5735 PRESSURE: 3935200 -230.27 33.7084 -89.991 33.7093 -448.246 -38.2232 -89.9908 -38.2225 -137.614 GPRESSURE: 3935200 -144.413 66.2176 -117.943 -1.45055 -486.154 -39.0757 -154.341 -84.6236 -98.8034 PRESSAVG: 3935200 -24.7389 -19.5372 39.9113 -19.5372 -25.8557 -46.9149 39.9113 -46.915 34.2522 GPRESSAVG: 3935200 -23.6187 -17.4192 40.0243 -21.977 -26.2535 -44.6098 40.158 -47.7895 34.2642 TIMING: 3935200 CPU: 11436.3, 0.00294554/step Wall: 11436.3, 0.00294554/step, 0.871226 hours remaining, 207.164062 MB of memory in use. ENERGY: 3935200 796.5440 2076.2584 1977.9432 129.5529 -205628.9923 17340.1415 0.0000 0.0000 34427.7767 -148880.7757 300.6663 -183308.5523 -148784.0462 300.4601 -272.0436 -243.1233 558352.3000 -5.4475 -5.2027 PRESSURE: 3935400 310.245 23.936 -66.3478 23.9356 154.942 58.8902 -66.3481 58.8904 -77.7052 GPRESSURE: 3935400 273.305 71.005 -67.7575 -18.6669 269.561 80.9534 -94.175 1.022 -63.138 PRESSAVG: 3935400 -8.97846 -35.8868 48.1653 -35.8868 2.2748 24.7755 48.1653 24.7754 -9.73699 GPRESSAVG: 3935400 -9.412 -37.5897 48.1582 -34.3596 2.45748 23.675 50.2743 25.2324 -9.95551 TIMING: 3935400 CPU: 11436.9, 0.00294767/step Wall: 11436.9, 0.00294767/step, 0.871692 hours remaining, 207.164062 MB of memory in use. ENERGY: 3935400 747.0475 2063.0451 1971.5017 114.4197 -206050.0988 18001.8896 0.0000 0.0000 34197.3057 -148954.8896 298.6536 -183152.1952 -148859.7108 300.2316 129.1604 159.9092 556956.3667 -5.4802 -5.6367 PRESSURE: 3935600 -40.1072 -25.8564 -16.0907 -25.8568 -91.831 -203.15 -16.0907 -203.15 42.3197 GPRESSURE: 3935600 55.6184 -78.544 64.2959 -82.7168 -25.941 -147.587 -46.1932 -201.389 -29.4684 PRESSAVG: 3935600 23.8107 -4.06947 40.6662 -4.06946 -53.6873 61.1393 40.6662 61.1393 30.3499 GPRESSAVG: 3935600 22.8138 -3.53197 42.8091 -5.73154 -53.1487 61.4129 37.7944 59.7182 30.5393 TIMING: 3935600 CPU: 11437.5, 0.00294404/step Wall: 11437.5, 0.00294404/step, 0.870455 hours remaining, 207.164062 MB of memory in use. ENERGY: 3935600 773.0113 2106.0361 1974.6197 114.0575 -206113.9153 17741.3070 0.0000 0.0000 34401.1801 -149003.7035 300.4341 -183404.8837 -148903.0692 299.3874 -29.8728 0.0696 557851.9187 0.1578 0.0681 PRESSURE: 3935800 242.91 -111.332 66.8602 -111.333 46.5086 123.189 66.8592 123.19 -227.78 GPRESSURE: 3935800 236.308 11.4784 6.35801 -150.262 71.3362 149.027 97.491 117.563 -155.367 PRESSAVG: 3935800 -5.07691 -12.08 20.8536 -12.0801 44.8901 16.3724 20.8535 16.3725 -53.5018 GPRESSAVG: 3935800 -4.93074 -12.2434 19.5674 -11.0067 44.6138 16.846 22.1106 17.2619 -53.8356 TIMING: 3935800 CPU: 11438.1, 0.00290312/step Wall: 11438.1, 0.00290312/step, 0.858195 hours remaining, 207.164062 MB of memory in use. ENERGY: 3935800 759.9685 2088.6662 1948.9860 111.0226 -206065.7424 17811.2233 0.0000 0.0000 34215.1838 -149130.6920 298.8097 -183345.8758 -149033.9504 299.0722 20.5461 50.7590 558217.6904 -4.5629 -4.7175 PRESSURE: 3936000 -367.346 -242.88 -44.7118 -242.882 77.1754 92.2934 -44.7127 92.2945 -21.3392 GPRESSURE: 3936000 -364.341 -212.134 -37.2655 -197.723 145.561 41.2843 -129.83 176.583 11.6434 PRESSAVG: 3936000 13.59 4.35592 29.5808 4.35596 31.5633 22.0685 29.5809 22.0685 -101.381 GPRESSAVG: 3936000 13.3265 3.45701 29.4491 3.91372 32.0974 19.7026 27.2132 23.3073 -101.237 TIMING: 3936000 CPU: 11438.6, 0.00291325/step Wall: 11438.6, 0.00291325/step, 0.861027 hours remaining, 207.414062 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: 3936000 774.4479 2161.9270 1949.2612 113.2954 -206254.1826 17832.6895 0.0000 0.0000 34305.2665 -149117.2950 299.5964 -183422.5615 -149020.1589 299.2320 -103.8365 -69.0458 558142.6960 -18.7426 -18.6045 PRESSURE: 3936200 118.353 -115.439 -59.9543 -115.44 -221.367 151.208 -59.9541 151.206 -116.071 GPRESSURE: 3936200 114.239 -119.802 -117.607 -169.878 -128.033 144.077 -42.0137 243.973 -119.108 PRESSAVG: 3936200 34.4324 -22.6109 34.2294 -22.611 12.324 14.3437 34.2294 14.3437 -6.148 GPRESSAVG: 3936200 35.0259 -22.2394 33.099 -22.3679 11.8108 16.5713 34.966 14.5709 -6.12669 TIMING: 3936200 CPU: 11439.2, 0.00293313/step Wall: 11439.2, 0.00293313/step, 0.866741 hours remaining, 207.414062 MB of memory in use. ENERGY: 3936200 765.4008 2090.8390 1969.2703 110.5234 -206002.5774 17743.8678 0.0000 0.0000 34063.6514 -149259.0247 297.4863 -183322.6761 -149161.0354 299.2350 -73.0285 -44.3006 558460.4258 13.5361 13.5700 LDB: ============= START OF LOAD BALANCING ============== 11442.7 LDB: ============== END OF LOAD BALANCING =============== 11442.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11442.7 LDB: ============= START OF LOAD BALANCING ============== 11443 LDB: Largest compute 4820 load 0.030426 is 25.8% of average load 0.117818 LDB: Average compute 0.001742 is 1.5% of average load 0.117818 LDB: TIME 11443 LOAD: AVG 0.117818 MAX 0.181946 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.867 MB LDB: TIME 11443 LOAD: AVG 0.117818 MAX 0.181946 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: TIME 11443 LOAD: AVG 0.117818 MAX 0.181946 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11443 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11443 PRESSURE: 3936400 -236.256 97.9581 -10.9811 97.9581 30.9286 -96.5206 -10.9811 -96.5213 -52.1335 GPRESSURE: 3936400 -136.996 129.38 31.0682 98.7545 16.3034 -141.111 -51.3509 -85.4849 -31.1549 PRESSAVG: 3936400 65.1009 15.4022 58.474 15.4022 16.8345 -24.6622 58.4739 -24.6623 -67.5426 GPRESSAVG: 3936400 64.2192 15.3619 60.371 16.1537 17.097 -25.4484 58.2127 -25.4889 -67.3116 TIMING: 3936400 CPU: 11439.8, 0.00297619/step Wall: 11439.8, 0.00297619/step, 0.879299 hours remaining, 208.695312 MB of memory in use. ENERGY: 3936400 796.2819 2061.4885 1961.5512 108.3576 -206320.4682 17871.8652 0.0000 0.0000 34305.7419 -149215.1818 299.6006 -183520.9238 -149117.5075 298.6944 -85.8201 -50.6157 558489.3189 4.7976 4.6682 PRESSURE: 3936600 -9.35149 -38.3464 9.38288 -38.3468 -119.023 137.182 9.38266 137.183 -72.0541 GPRESSURE: 3936600 10.9854 -54.6756 -42.1848 0.677004 -104.326 76.4337 -15.199 185.78 1.72376 PRESSAVG: 3936600 7.21932 -38.7941 81.06 -38.7941 41.4295 -51.4795 81.06 -51.4794 -5.99186 GPRESSAVG: 3936600 7.49533 -39.0499 79.9877 -39.4871 41.244 -51.3592 81.5208 -52.3457 -5.88424 TIMING: 3936600 CPU: 11440.4, 0.0028939/step Wall: 11440.4, 0.0028939/step, 0.854826 hours remaining, 208.968750 MB of memory in use. ENERGY: 3936600 756.9282 2139.6733 1958.9480 102.3146 -206071.5993 17757.6895 0.0000 0.0000 34081.1367 -149274.9089 297.6390 -183356.0457 -149174.0857 298.7541 -66.8095 -30.5390 558497.6127 14.2190 14.2850 PRESSURE: 3936800 -153.506 -188.218 -111.974 -188.218 -30.3751 130.15 -111.974 130.15 -216.987 GPRESSURE: 3936800 -190.566 -188.001 -94.8858 -128.511 49.9918 112.205 -11.7916 126.938 -163.018 PRESSAVG: 3936800 -1.67974 -69.4695 -27.0036 -69.4694 -41.3404 4.82116 -27.0037 4.8211 35.5088 GPRESSAVG: 3936800 -1.70862 -69.5591 -27.126 -68.6922 -41.0284 3.45386 -26.1401 7.16231 35.367 TIMING: 3936800 CPU: 11441, 0.00291376/step Wall: 11441, 0.00291376/step, 0.86053 hours remaining, 208.968750 MB of memory in use. ENERGY: 3936800 767.6705 2116.5637 1969.7385 106.5103 -206281.3785 17720.8778 0.0000 0.0000 34520.6346 -149079.3830 301.4773 -183600.0176 -148980.7334 299.2418 -133.6228 -101.1971 557175.4916 -2.5038 -2.4567 PRESSURE: 3937000 197.086 -68.8777 -105.237 -68.8782 -17.2622 -76.5445 -105.238 -76.5455 108.754 GPRESSURE: 3937000 220.443 -127.947 -143.856 -6.31575 28.2329 -36.7169 -34.2568 -22.8585 129.646 PRESSAVG: 3937000 -1.09953 -51.5108 -10.1007 -51.5109 9.55466 44.8004 -10.1007 44.8003 28.2055 GPRESSAVG: 3937000 -0.687496 -51.5242 -9.37627 -52.4127 9.66979 44.6114 -9.32675 43.0751 28.1035 TIMING: 3937000 CPU: 11441.6, 0.00291385/step Wall: 11441.6, 0.00291384/step, 0.860394 hours remaining, 208.968750 MB of memory in use. ENERGY: 3937000 748.7245 2138.8708 1961.1665 112.6551 -206386.2291 18066.4818 0.0000 0.0000 34267.4660 -149090.8644 299.2663 -183358.3304 -148996.2891 299.8330 96.1925 126.1070 556744.1632 12.2202 12.3619 PRESSURE: 3937200 -86.3217 -45.6474 -33.0093 -45.6464 -141.646 -119.783 -33.0086 -119.784 -207.394 GPRESSURE: 3937200 -50.9697 -144.213 -66.0782 -69.7966 -102.926 -123.059 -14.9005 -96.5295 -179.53 PRESSAVG: 3937200 24.23 8.52049 30.112 8.52051 -69.4039 -58.9363 30.112 -58.9364 39.5472 GPRESSAVG: 3937200 24.1154 9.0575 29.9851 7.38678 -68.2105 -56.7226 29.5594 -59.7757 39.3763 TIMING: 3937200 CPU: 11442.1, 0.00289229/step Wall: 11442.1, 0.00289229/step, 0.853869 hours remaining, 208.968750 MB of memory in use. ENERGY: 3937200 769.3556 2115.0223 1938.1311 119.1776 -206195.0290 17689.7144 0.0000 0.0000 34480.1062 -149083.5218 301.1233 -183563.6280 -148980.7887 299.8144 -145.1207 -111.1421 556324.8320 -1.8755 -1.5729 PRESSURE: 3937400 -125.329 60.6084 -31.4239 60.6085 61.9092 -83.2567 -31.4247 -83.2556 -33.9933 GPRESSURE: 3937400 -69.9783 125.409 3.20533 -11.0479 45.5408 -61.1706 -29.0509 -160.594 22.3972 PRESSAVG: 3937400 4.14681 -19.6042 -42.4057 -19.6042 78.0683 -2.40455 -42.4057 -2.40453 -54.971 GPRESSAVG: 3937400 3.46848 -19.6276 -40.8203 -17.8328 78.1335 -5.21971 -44.8413 -0.290182 -53.9151 TIMING: 3937400 CPU: 11442.7, 0.0029022/step Wall: 11442.7, 0.0029022/step, 0.856633 hours remaining, 208.968750 MB of memory in use. ENERGY: 3937400 754.9588 2166.1253 1968.9840 121.1307 -206247.8839 17763.0618 0.0000 0.0000 34317.1312 -149156.4920 299.7000 -183473.6232 -149068.5820 300.0265 -32.4711 -0.6801 556848.0466 9.0814 9.2290 PRESSURE: 3937600 54.9789 -26.3726 -55.006 -26.3732 -124.158 27.2381 -55.0047 27.2359 -128.502 GPRESSURE: 3937600 94.2847 -30.0838 3.72593 -77.9201 -96.0709 -36.0957 -82.8461 67.0723 -101.163 PRESSAVG: 3937600 -49.7865 -43.5642 44.9402 -43.5642 -12.6925 -37.9665 44.9402 -37.9663 50.1974 GPRESSAVG: 3937600 -49.3817 -43.193 44.7861 -44.5187 -12.9927 -34.7148 45.7196 -39.3711 49.4583 TIMING: 3937600 CPU: 11443.3, 0.0029241/step Wall: 11443.3, 0.0029241/step, 0.862933 hours remaining, 208.968750 MB of memory in use. ENERGY: 3937600 759.6493 2129.2462 1946.6543 115.0133 -206208.8376 17639.5213 0.0000 0.0000 34543.2026 -149075.5506 301.6744 -183618.7532 -148979.5177 300.0027 -65.8938 -34.3165 556601.4922 -4.0939 -4.3054 PRESSURE: 3937800 -113.99 114.784 -68.0592 114.785 317.041 -126.49 -68.0579 -126.49 67.2896 GPRESSURE: 3937800 -60.8072 221.542 -63.0981 32.3141 300.754 -197.583 17.5978 -86.7392 128.247 PRESSAVG: 3937800 -0.305013 -21.3765 -0.461657 -21.3765 -17.7915 -14.0764 -0.461637 -14.0764 10.0839 GPRESSAVG: 3937800 0.115898 -22.7738 0.640888 -19.6563 -17.7443 -12.5661 -0.49508 -12.7593 9.22097 TIMING: 3937800 CPU: 11443.9, 0.00290787/step Wall: 11443.9, 0.00290787/step, 0.857983 hours remaining, 208.968750 MB of memory in use. ENERGY: 3937800 756.1869 2121.2928 1935.4412 118.6189 -206277.0522 17851.6497 0.0000 0.0000 34468.5310 -149025.3318 301.0223 -183493.8628 -148925.5027 299.8993 90.1136 122.7312 556344.1164 -2.6709 -2.8025 PRESSURE: 3938000 67.1426 173.945 -105.986 173.944 195.254 -40.6321 -105.987 -40.6316 -50.4181 GPRESSURE: 3938000 165.47 171.834 -6.9785 236.509 164.34 -22.5654 -189.715 -48.3866 -19.3523 PRESSAVG: 3938000 -3.33326 56.7225 21.4494 56.7225 13.2386 9.77655 21.4494 9.77657 3.59977 GPRESSAVG: 3938000 -3.51761 57.9178 21.4495 56.6721 12.804 7.4954 21.0848 8.29508 4.05404 TIMING: 3938000 CPU: 11444.5, 0.00290947/step Wall: 11444.5, 0.00290947/step, 0.858294 hours remaining, 209.171875 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: 3938000 771.9056 2105.2044 1958.9010 115.8615 -205864.8330 17770.3186 0.0000 0.0000 34341.4691 -148801.1727 299.9126 -183142.6418 -148695.4836 299.9474 70.6594 103.4860 557331.9476 4.5017 4.4468 PRESSURE: 3938200 28.318 50.056 44.065 50.0554 -99.4225 74.8669 44.0656 74.8655 -247.162 GPRESSURE: 3938200 14.6767 30.1472 39.8122 112.109 -46.6762 -8.66729 28.7312 148.172 -179.624 PRESSAVG: 3938200 26.1467 83.1725 -15.4032 83.1725 24.0254 1.64049 -15.4031 1.64036 -99.8344 GPRESSAVG: 3938200 25.6177 85.0696 -15.3452 81.663 24.6746 2.31521 -13.7241 -0.0432137 -100.213 TIMING: 3938200 CPU: 11445, 0.00290825/step Wall: 11445, 0.00290825/step, 0.857772 hours remaining, 209.171875 MB of memory in use. ENERGY: 3938200 793.6741 2132.2505 1927.7742 123.5381 -205927.1660 17596.2321 0.0000 0.0000 34444.2517 -148909.4452 300.8102 -183353.6969 -148804.8354 300.2478 -106.0887 -70.5414 557727.3072 -16.5541 -16.6402 PRESSURE: 3938400 -66.3032 -9.51405 93.0192 -9.51374 63.0759 62.2751 93.0195 62.2767 -202.678 GPRESSURE: 3938400 -55.4612 65.4318 130.441 -45.3053 127.684 -23.2786 69.3649 103.943 -172.099 PRESSAVG: 3938400 17.5869 -43.1552 -10.6397 -43.1553 64.7337 23.8709 -10.6396 23.8709 -17.1336 GPRESSAVG: 3938400 16.4235 -43.8118 -11.7217 -42.7027 65.714 23.6781 -11.4807 25.6958 -17.5687 TIMING: 3938400 CPU: 11445.6, 0.00288237/step Wall: 11445.6, 0.00288237/step, 0.849978 hours remaining, 209.171875 MB of memory in use. ENERGY: 3938400 799.0410 2087.4822 1963.9122 102.2883 -206309.2611 17956.6813 0.0000 0.0000 34517.9719 -148881.8843 301.4540 -183399.8562 -148786.8580 300.7585 -68.6352 -33.2921 557557.1117 21.7290 21.5229 PRESSURE: 3938600 242.091 -95.9654 -11.4967 -95.9658 65.1985 17.135 -11.4955 17.1338 349.35 GPRESSURE: 3938600 273.762 -119.194 -1.23931 -142.644 91.655 -50.8239 -15.9626 26.403 402.882 PRESSAVG: 3938600 4.31704 5.87239 -0.920443 5.87245 6.14 -32.2055 -0.920478 -32.2056 -24.8345 GPRESSAVG: 3938600 4.6617 5.86904 -0.695159 4.74123 4.97022 -32.7833 -1.53136 -31.1798 -23.8919 TIMING: 3938600 CPU: 11446.2, 0.00289712/step Wall: 11446.2, 0.00289712/step, 0.854168 hours remaining, 209.171875 MB of memory in use. ENERGY: 3938600 703.4840 2131.6876 1979.5342 113.7936 -206186.7004 18048.1819 0.0000 0.0000 34501.5908 -148708.4282 301.3110 -183210.0191 -148613.1403 301.1088 218.8799 256.0995 558458.1568 -4.7925 -4.7533 PRESSURE: 3938800 -206.051 -57.6891 -95.3488 -57.6895 -76.0748 13.8443 -95.3491 13.8448 -83.4186 GPRESSURE: 3938800 -228.778 53.6151 -30.3504 -60.97 -50.2213 -16.8008 -171.305 74.07 8.02889 PRESSAVG: 3938800 -7.0873 -0.437277 -19.7094 -0.437339 39.5199 -30.8848 -19.7095 -30.8848 -19.0547 GPRESSAVG: 3938800 -6.69327 -1.2674 -19.7702 1.27827 39.5814 -30.3624 -19.1354 -32.12 -19.4061 TIMING: 3938800 CPU: 11446.8, 0.0028869/step Wall: 11446.8, 0.0028869/step, 0.850995 hours remaining, 209.171875 MB of memory in use. ENERGY: 3938800 761.2836 2043.0161 1967.2094 121.6750 -205821.5716 17696.3192 0.0000 0.0000 34451.5129 -148780.5554 300.8736 -183232.0683 -148683.8585 300.3301 -121.8481 -90.3236 560476.8545 4.4593 4.4940 PRESSURE: 3939000 -369.036 5.01297 -124.225 5.01222 -234.764 -61.4817 -124.226 -61.4809 -330.282 GPRESSURE: 3939000 -326.518 80.1696 -87.4433 54.7773 -219.469 -57.6823 -125.801 -102.568 -283.073 PRESSAVG: 3939000 -3.08785 -3.43586 32.7794 -3.43583 5.39055 -71.454 32.7795 -71.454 -12.1793 GPRESSAVG: 3939000 -2.71953 -2.79377 32.3445 -3.63144 4.46885 -72.7037 33.7306 -70.3053 -11.7439 TIMING: 3939000 CPU: 11447.4, 0.00288412/step Wall: 11447.4, 0.00288412/step, 0.850013 hours remaining, 209.171875 MB of memory in use. ENERGY: 3939000 738.6094 2109.7172 1946.8829 118.9885 -205753.0135 17450.6301 0.0000 0.0000 34316.3636 -149071.8218 299.6933 -183388.1854 -148972.4777 300.0130 -311.3605 -276.3534 559982.5938 -3.2922 -3.3315 PRESSURE: 3939200 101.991 -8.98423 -22.5365 -8.98356 33.7767 -83.6569 -22.5358 -83.658 147.704 GPRESSURE: 3939200 166.297 7.80056 16.514 8.98467 61.5116 -137.009 -15.4842 -91.5322 152.216 PRESSAVG: 3939200 4.64365 -10.2164 -39.4109 -10.2164 -20.1102 49.1729 -39.4108 49.1729 13.1232 GPRESSAVG: 3939200 4.27083 -11.4437 -38.6471 -8.8706 -19.771 48.8341 -41.2385 48.6402 13.0517 TIMING: 3939200 CPU: 11447.9, 0.00288935/step Wall: 11447.9, 0.00288935/step, 0.851396 hours remaining, 209.171875 MB of memory in use. ENERGY: 3939200 714.6588 2045.3179 1967.8387 107.9598 -206152.4619 17968.2458 0.0000 0.0000 34183.5135 -149164.9274 298.5331 -183348.4409 -149071.9928 299.2514 94.4904 126.6749 558891.6384 -0.7811 -0.8161 PRESSURE: 3939400 -223.211 69.3295 76.4307 69.3304 71.4835 120.241 76.4304 120.24 -392.672 GPRESSURE: 3939400 -210.836 131.671 95.0298 -32.5723 52.3873 92.6307 58.7707 176.264 -283.782 PRESSAVG: 3939400 67.621 -4.448 6.8939 -4.44795 -66.6132 -32.1436 6.89391 -32.1435 -7.79201 GPRESSAVG: 3939400 67.9788 -4.69766 7.05718 -4.75701 -66.9925 -30.4387 8.30791 -33.461 -8.41311 TIMING: 3939400 CPU: 11448.5, 0.00289199/step Wall: 11448.5, 0.00289199/step, 0.852014 hours remaining, 209.171875 MB of memory in use. ENERGY: 3939400 776.1292 2050.4948 1924.1642 104.3514 -205818.4337 17733.7972 0.0000 0.0000 34172.7046 -149056.7923 298.4387 -183229.4968 -148960.4249 298.4888 -181.4666 -147.4104 559485.3629 -2.2614 -2.4756 PRESSURE: 3939600 -39.8153 -32.7913 -7.58749 -32.7916 5.93492 -160.118 -7.58736 -160.118 -69.5383 GPRESSURE: 3939600 -5.20644 -35.9666 65.0223 -34.9322 17.9008 -163.96 0.440807 -196.652 -30.0566 PRESSAVG: 3939600 67.5828 -0.525807 15.7824 -0.525845 -28.6357 -79.5513 15.7824 -79.5513 -7.32508 GPRESSAVG: 3939600 67.9197 -0.556855 14.4173 0.917515 -28.9113 -79.334 13.0736 -79.6077 -7.92359 TIMING: 3939600 CPU: 11449.1, 0.002892/step Wall: 11449.1, 0.002892/step, 0.851855 hours remaining, 209.171875 MB of memory in use. ENERGY: 3939600 750.5745 2055.4656 1924.9176 106.8958 -206013.7795 17794.7235 0.0000 0.0000 34464.6360 -148916.5663 300.9882 -183381.2024 -148819.1121 299.2532 -34.4729 -5.7874 559437.7711 10.5407 10.3616 PRESSURE: 3939800 174.916 124.652 5.57218 124.651 225.513 -30.3753 5.57122 -30.3759 162.357 GPRESSURE: 3939800 203.309 90.4357 48.4363 72.9636 273.339 0.804314 43.0237 -26.1064 180.776 PRESSAVG: 3939800 2.75797 28.7275 16.9517 28.7274 -5.86862 22.3034 16.9518 22.3034 -20.085 GPRESSAVG: 3939800 -0.364677 31.1264 18.7744 25.598 -4.87689 24.0159 17.807 21.6363 -17.647 TIMING: 3939800 CPU: 11449.7, 0.00287412/step Wall: 11449.7, 0.00287412/step, 0.846427 hours remaining, 209.171875 MB of memory in use. ENERGY: 3939800 733.9746 2071.7381 1940.6426 128.2857 -206237.4490 17938.2292 0.0000 0.0000 34434.9320 -148989.6468 300.7288 -183424.5788 -148891.0574 299.9904 187.5951 219.1412 556206.8023 -7.7319 -7.6295 PRESSURE: 3940000 -74.6456 -96.6841 -59.1364 -96.6826 -178.169 78.1249 -59.1359 78.1258 33.3925 GPRESSURE: 3940000 -88.3043 -93.908 -70.2884 -95.7597 -164.525 55.7272 -57.1557 63.3234 142.211 PRESSAVG: 3940000 -3.96503 -57.8511 2.19505 -57.8511 -75.9965 -33.9847 2.19511 -33.9846 14.7984 GPRESSAVG: 3940000 -1.45817 -59.2412 1.28849 -56.2712 -76.613 -35.6668 3.26034 -33.7072 13.1989 TIMING: 3940000 CPU: 11450.2, 0.00289684/step Wall: 11450.2, 0.00289684/step, 0.852957 hours remaining, 209.171875 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: 3940000 752.0232 2040.9221 1959.8256 111.2639 -205584.3043 17566.6117 0.0000 0.0000 34246.3263 -148907.3315 299.0817 -183153.6578 -148818.0066 299.9838 -73.1406 -36.8730 558568.0500 -21.7210 -21.6241 PRESSURE: 3940200 -141.462 84.9522 -26.9803 84.9538 -245.881 27.8088 -26.9804 27.8076 33.3886 GPRESSURE: 3940200 -159.492 147.117 33.0139 20.5516 -145.17 3.27365 -97.1283 32.7848 58.5166 PRESSAVG: 3940200 15.1263 -43.4264 -30.2634 -43.4265 -81.8525 10.5084 -30.2635 10.5084 33.6535 GPRESSAVG: 3940200 13.6621 -42.979 -29.2186 -44.8646 -80.8253 9.63067 -30.8754 11.1873 34.2039 TIMING: 3940200 CPU: 11450.8, 0.00291185/step Wall: 11450.8, 0.00291185/step, 0.857216 hours remaining, 209.171875 MB of memory in use. ENERGY: 3940200 740.3482 2046.4179 1950.4183 119.2551 -205836.1497 17571.9616 0.0000 0.0000 34360.8457 -149046.9028 300.0818 -183407.7486 -148948.3049 299.2684 -117.9848 -82.0482 559873.8312 -11.0242 -10.9864 LDB: ============= START OF LOAD BALANCING ============== 11454.3 LDB: ============== END OF LOAD BALANCING =============== 11454.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11454.3 LDB: ============= START OF LOAD BALANCING ============== 11454.6 LDB: Largest compute 4820 load 0.028916 is 24.5% of average load 0.117837 LDB: Average compute 0.001737 is 1.5% of average load 0.117837 LDB: TIME 11454.6 LOAD: AVG 0.117837 MAX 0.178364 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 11454.6 LOAD: AVG 0.117837 MAX 0.178364 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 11454.6 LOAD: AVG 0.117837 MAX 0.178364 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11454.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11454.6 PRESSURE: 3940400 -241.177 7.66994 -32.8781 7.67044 -488.663 -187.996 -32.8786 -187.995 -143.879 GPRESSURE: 3940400 -251.563 -37.2854 -45.5673 23.8037 -461.938 -77.1711 -143.366 -244.409 -59.1803 PRESSAVG: 3940400 56.8774 13.8248 55.9012 13.8247 -63.478 -8.38507 55.9013 -8.38514 34.9103 GPRESSAVG: 3940400 58.3164 14.6321 55.0498 14.5978 -63.3071 -8.31097 55.2216 -8.87821 33.8461 TIMING: 3940400 CPU: 11451.4, 0.00295949/step Wall: 11451.4, 0.00295949/step, 0.871077 hours remaining, 206.789062 MB of memory in use. ENERGY: 3940400 724.1545 2047.3854 1965.0744 97.5352 -205542.5766 17412.9924 0.0000 0.0000 34154.8385 -149140.5961 298.2827 -183295.4346 -149037.0276 298.6419 -291.2397 -257.5604 558730.2391 9.4366 9.6185 PRESSURE: 3940600 101.911 79.8344 -24.7827 79.8342 125.991 80.315 -24.7836 80.3152 340.531 GPRESSURE: 3940600 108.462 -11.7028 23.3033 84.2995 250.497 48.5577 -5.50775 4.47537 293.767 PRESSAVG: 3940600 -26.7285 -59.177 -14.3602 -59.1771 -20.4583 6.60444 -14.3601 6.60444 28.389 GPRESSAVG: 3940600 -27.0732 -60.0068 -13.8865 -60.0612 -20.8204 7.42793 -15.0748 6.07426 28.9347 TIMING: 3940600 CPU: 11452, 0.00290618/step Wall: 11452, 0.00290618/step, 0.855225 hours remaining, 206.898438 MB of memory in use. ENERGY: 3940600 739.4099 2093.4589 1944.0024 118.8775 -206411.1139 17908.1277 0.0000 0.0000 34465.7756 -149141.4619 300.9982 -183607.2375 -149050.3201 299.0835 189.4777 217.5754 556337.6630 -6.2659 -6.3196 PRESSURE: 3940800 383.376 -44.8673 -8.21992 -44.8665 129.138 14.3737 -8.21791 14.3743 174.024 GPRESSURE: 3940800 320.524 -57.5678 20.3207 83.8179 177.349 49.6638 31.2217 -0.4005 283.097 PRESSAVG: 3940800 -59.8519 6.92217 5.0352 6.92208 16.6462 44.3161 5.0352 44.3161 49.0086 GPRESSAVG: 3940800 -59.9786 6.55905 6.10089 9.71999 15.9901 43.7234 3.69814 44.8094 49.8721 TIMING: 3940800 CPU: 11452.6, 0.00291026/step Wall: 11452.6, 0.00291026/step, 0.856264 hours remaining, 206.898438 MB of memory in use. ENERGY: 3940800 726.4638 2086.6407 1964.2195 97.1808 -206271.1595 18018.3602 0.0000 0.0000 34308.6752 -149069.6193 299.6262 -183378.2945 -148973.8503 299.2931 228.8459 260.3234 556823.0155 1.9343 1.9612 PRESSURE: 3941000 -5.23208 256.492 -67.4587 256.493 -164.957 82.0307 -67.4578 82.0319 -221.826 GPRESSURE: 3941000 71.8726 144.506 -14.2105 323.044 -139.769 74.5553 -33.9208 94.9963 -228.405 PRESSAVG: 3941000 12.9638 -7.81718 77.7439 -7.81717 -17.3575 13.031 77.7439 13.0311 54.9964 GPRESSAVG: 3941000 14.1918 -7.451 76.436 -8.31451 -17.4633 11.9305 80.812 13.8193 53.7805 TIMING: 3941000 CPU: 11453.2, 0.00289888/step Wall: 11453.2, 0.00289888/step, 0.852754 hours remaining, 206.898438 MB of memory in use. ENERGY: 3941000 738.5407 2065.7359 1940.6002 118.4791 -205839.1709 17507.9573 0.0000 0.0000 34250.9167 -149216.9410 299.1218 -183467.8577 -149116.4426 299.2247 -130.6717 -98.7672 556865.3756 16.8676 16.8363 PRESSURE: 3941200 -194.001 65.1137 33.6415 65.1129 92.2056 215.745 33.6422 215.745 189.945 GPRESSURE: 3941200 -147.217 7.79438 58.1116 48.3466 142.751 240.802 -16.9212 137.515 181.259 PRESSAVG: 3941200 4.39761 -17.43 -12.9452 -17.43 -28.4822 -9.361 -12.9451 -9.36092 24.2413 GPRESSAVG: 3941200 3.81483 -16.2588 -12.4443 -21.1087 -27.2963 -6.75057 -14.2574 -12.0572 23.2806 TIMING: 3941200 CPU: 11453.7, 0.0029101/step Wall: 11453.7, 0.0029101/step, 0.855892 hours remaining, 206.898438 MB of memory in use. ENERGY: 3941200 764.9315 2085.5066 1948.7033 113.4100 -206229.1094 17953.0985 0.0000 0.0000 34136.9474 -149226.5121 298.1265 -183363.4594 -149132.3969 298.7568 29.3832 58.9308 557001.9679 0.0523 -0.0669 PRESSURE: 3941400 -130.221 -79.8957 -34.9686 -79.8948 -131.366 -21.8355 -34.9676 -21.837 47.0772 GPRESSURE: 3941400 -40.0074 -40.9058 -115.29 -54.8174 -85.79 -61.5929 17.8809 -1.55334 29.44 PRESSAVG: 3941400 -28.9081 18.3801 13.6926 18.3802 -25.059 -16.9071 13.6927 -16.9071 87.3524 GPRESSAVG: 3941400 -30.9028 17.4027 14.8136 20.5091 -24.6957 -18.656 12.4395 -14.2788 89.529 TIMING: 3941400 CPU: 11454.3, 0.00292479/step Wall: 11454.3, 0.00292479/step, 0.860051 hours remaining, 206.968750 MB of memory in use. ENERGY: 3941400 741.8065 2084.6805 1955.6065 95.6236 -205798.6912 17645.9830 0.0000 0.0000 34102.2664 -149172.7246 297.8236 -183274.9910 -149070.6335 298.9265 -71.5031 -32.1191 558228.7129 11.1284 11.3102 PRESSURE: 3941600 -151.036 27.3476 -45.1548 27.347 -235.055 43.6169 -45.1551 43.6187 -131.221 GPRESSURE: 3941600 -117.198 4.15711 -26.9476 105.996 -206.606 54.7281 -89.4979 135.151 -92.6886 PRESSAVG: 3941600 -51.0259 6.45621 -9.17253 6.45624 18.1592 49.4483 -9.17247 49.4482 87.3992 GPRESSAVG: 3941600 -49.0073 6.00743 -8.47006 8.90372 17.6056 50.0212 -7.70919 46.8852 86.1202 TIMING: 3941600 CPU: 11454.9, 0.00291365/step Wall: 11454.9, 0.00291365/step, 0.856614 hours remaining, 206.968750 MB of memory in use. ENERGY: 3941600 722.5299 2180.6745 1927.2921 102.1971 -205770.2610 17409.8005 0.0000 0.0000 34355.6398 -149072.1272 300.0363 -183427.7670 -148971.3362 298.8632 -172.4371 -138.8309 559341.7711 18.1775 18.2395 PRESSURE: 3941800 -250.95 -27.5139 -33.055 -27.5143 230.04 75.1591 -33.0548 75.1602 -122.935 GPRESSURE: 3941800 -228.96 -52.6504 -12.4324 31.1841 263.756 105.504 65.2703 157.777 -78.5564 PRESSAVG: 3941800 6.96815 3.43848 -29.9144 3.4384 -43.0171 50.8345 -29.9143 50.8345 12.379 GPRESSAVG: 3941800 5.56964 3.0605 -31.804 1.34722 -41.9204 50.5144 -28.9577 52.4793 12.8737 TIMING: 3941800 CPU: 11455.5, 0.0028984/step Wall: 11455.5, 0.0028984/step, 0.851969 hours remaining, 206.968750 MB of memory in use. ENERGY: 3941800 753.0643 2117.3107 1945.4719 107.0557 -205884.2262 17739.5396 0.0000 0.0000 34170.7631 -149051.0207 298.4218 -183221.7839 -148953.7741 299.5234 -47.9484 -14.5869 557942.3923 -7.8900 -7.8257 PRESSURE: 3942000 -270.562 -52.5743 -117.597 -52.5742 -267.603 -22.5874 -117.597 -22.5862 -161.399 GPRESSURE: 3942000 -234.569 12.2671 -13.7663 -67.8009 -187.093 -84.6557 -153.78 -40.4971 -173.901 PRESSAVG: 3942000 -45.7627 -11.1274 12.9463 -11.1274 28.4544 31.7663 12.9464 31.7662 23.9875 GPRESSAVG: 3942000 -44.6871 -10.8992 12.4577 -9.77192 27.2872 31.0136 13.0378 31.714 24.0595 TIMING: 3942000 CPU: 11456.1, 0.00290915/step Wall: 11456.1, 0.00290915/step, 0.854968 hours remaining, 206.968750 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: 3942000 771.0165 2101.0871 1951.9690 121.4945 -205823.8007 17594.1187 0.0000 0.0000 34234.5802 -149049.5347 298.9791 -183284.1150 -148949.0291 298.9837 -233.1877 -198.5210 559161.7957 2.2264 2.2199 PRESSURE: 3942200 -32.3306 -47.5197 72.3176 -47.5197 166.182 -117.696 72.3192 -117.698 -115.098 GPRESSURE: 3942200 -60.1963 4.43819 113.999 0.787692 204.407 -125.398 54.2711 -93.8764 -35.7295 PRESSAVG: 3942200 -15.7808 -50.9693 31.4466 -50.9693 21.1468 -3.02862 31.4465 -3.0287 -59.4041 GPRESSAVG: 3942200 -16.0172 -50.2472 32.7626 -50.6494 21.922 -3.1133 30.6546 -2.228 -60.2185 TIMING: 3942200 CPU: 11456.7, 0.002891/step Wall: 11456.7, 0.002891/step, 0.849472 hours remaining, 206.968750 MB of memory in use. ENERGY: 3942200 768.2513 2111.7255 1942.4880 109.2177 -206155.3227 17982.6952 0.0000 0.0000 34069.3727 -149171.5723 297.5363 -183240.9450 -149079.8368 299.1885 6.2514 36.1604 558358.7808 -18.0127 -18.1046 PRESSURE: 3942400 -2.43454 -4.76353 73.758 -4.7649 -359.108 -53.8457 73.7586 -53.8469 151.606 GPRESSURE: 3942400 22.7699 -67.8148 67.0004 71.9598 -294.422 -37.0513 121.321 -53.2915 153.636 PRESSAVG: 3942400 6.13552 -20.553 6.46812 -20.5529 -14.7082 -11.6671 6.46817 -11.6671 6.65166 GPRESSAVG: 3942400 7.18842 -22.0012 6.74431 -20.873 -15.7748 -11.6317 6.2909 -10.9254 6.37058 TIMING: 3942400 CPU: 11457.2, 0.00289827/step Wall: 11457.2, 0.00289827/step, 0.851446 hours remaining, 206.968750 MB of memory in use. ENERGY: 3942400 733.8448 2153.9929 1929.8767 119.5295 -205988.2175 17643.1590 0.0000 0.0000 34324.1358 -149083.6789 299.7612 -183407.8147 -148995.0630 298.6260 -69.9787 -39.3386 558077.9210 -0.6403 -0.7386 PRESSURE: 3942600 217.757 159.328 -133.076 159.329 177.443 -1.21848 -133.077 -1.21898 -200.206 GPRESSURE: 3942600 227.893 251.106 -170.92 89.9661 195.465 0.456932 -65.4444 -37.7304 -125.034 PRESSAVG: 3942600 -13.2662 1.63494 -15.3427 1.63493 -45.5779 7.42405 -15.3426 7.4239 67.2029 GPRESSAVG: 3942600 -14.9488 4.70711 -15.7549 1.43383 -44.1088 8.82215 -15.5675 5.66055 67.7776 TIMING: 3942600 CPU: 11457.8, 0.00290468/step Wall: 11457.8, 0.00290468/step, 0.85317 hours remaining, 206.968750 MB of memory in use. ENERGY: 3942600 735.7491 2104.1329 1904.6459 135.3371 -206350.0181 17989.9128 0.0000 0.0000 34202.2465 -149277.9939 298.6967 -183480.2404 -149184.8947 298.6220 64.9980 99.4415 558659.0932 2.7863 2.9067 PRESSURE: 3942800 -116.928 -69.2337 -62.5342 -69.234 -89.9141 -90.9942 -62.5343 -90.9936 -169.51 GPRESSURE: 3942800 -122.016 -94.4028 -24.2651 -75.3375 -89.5687 -63.8882 -53.3604 -88.3273 -77.5515 PRESSAVG: 3942800 -3.86732 -14.127 -4.70218 -14.1271 30.3601 40.0683 -4.70212 40.0683 10.4114 GPRESSAVG: 3942800 -3.41649 -17.7601 -6.41721 -14.24 31.1081 37.7163 -3.58211 41.7834 9.39843 TIMING: 3942800 CPU: 11458.4, 0.00290248/step Wall: 11458.4, 0.00290248/step, 0.852361 hours remaining, 207.171875 MB of memory in use. ENERGY: 3942800 788.2734 2118.4422 1899.8388 129.1487 -206146.1455 17706.1675 0.0000 0.0000 34245.1297 -149259.1452 299.0712 -183504.2749 -149162.1965 298.9178 -125.4508 -96.3787 559219.5557 12.3014 12.3634 PRESSURE: 3943000 -107.982 154.755 -221.447 154.755 -40.897 49.5473 -221.447 49.5465 -54.5734 GPRESSURE: 3943000 -46.9381 90.5362 -230.006 94.8347 -52.0367 97.6896 -195.235 62.128 -14.5311 PRESSAVG: 3943000 5.10287 -22.1618 30.826 -22.1619 26.816 61.4104 30.8261 61.4105 -7.47499 GPRESSAVG: 3943000 5.08132 -22.2262 32.8077 -21.3632 25.2368 64.066 28.2374 60.458 -6.21255 TIMING: 3943000 CPU: 11459, 0.00289106/step Wall: 11459, 0.00289106/step, 0.848848 hours remaining, 207.171875 MB of memory in use. ENERGY: 3943000 751.3770 2086.7205 1942.0715 110.5868 -205826.4990 17583.7472 0.0000 0.0000 34091.8839 -149260.1120 297.7329 -183351.9960 -149166.8222 299.4060 -67.8174 -37.8353 557744.1608 8.1480 8.0352 PRESSURE: 3943200 -66.7552 32.0996 59.643 32.0995 56.593 58.4985 59.643 58.5001 438.415 GPRESSURE: 3943200 6.98179 -37.5453 22.7598 48.4229 109.757 1.57478 36.6525 108.605 417.695 PRESSAVG: 3943200 -6.82466 58.3293 50.8352 58.3292 10.9506 -11.6373 50.8352 -11.6371 3.18875 GPRESSAVG: 3943200 -6.30514 60.1176 49.5267 57.7216 10.4183 -12.5355 52.8222 -11.9163 3.48822 TIMING: 3943200 CPU: 11459.6, 0.00292896/step Wall: 11459.6, 0.00292896/step, 0.859814 hours remaining, 207.171875 MB of memory in use. ENERGY: 3943200 735.6394 2084.8119 1942.1636 110.6499 -206215.9423 17781.8114 0.0000 0.0000 34271.6895 -149289.1767 299.3032 -183560.8662 -149190.8101 298.9387 142.7511 178.1448 555077.9819 2.4382 2.5338 PRESSURE: 3943400 -78.7655 -18.6568 49.2689 -18.6565 -160.619 98.5303 49.2692 98.5288 7.04117 GPRESSURE: 3943400 -80.1003 -58.1425 99.8033 108.389 -103.516 109.356 42.1118 74.7396 51.7661 PRESSAVG: 3943400 3.00357 7.61301 75.5795 7.61296 23.5934 33.4099 75.5795 33.4099 -31.1242 GPRESSAVG: 3943400 3.48901 6.52112 75.9105 8.64588 24.2692 33.7622 73.7804 35.0515 -32.3731 TIMING: 3943400 CPU: 11460.1, 0.00293669/step Wall: 11460.1, 0.00293668/step, 0.861917 hours remaining, 207.171875 MB of memory in use. ENERGY: 3943400 748.9231 2094.9741 1942.5537 109.2024 -206149.2031 17667.8058 0.0000 0.0000 34375.4096 -149210.3344 300.2090 -183585.7440 -149115.3450 299.0215 -77.4477 -43.9500 556613.7856 -1.5091 -1.5383 PRESSURE: 3943600 165.37 -81.6434 -60.6872 -81.6411 -141.724 -81.5026 -60.6875 -81.5023 -29.337 GPRESSURE: 3943600 204.895 -61.0038 -83.9143 -60.4289 -88.1985 -98.5466 -34.4921 -87.4508 -21.2187 PRESSAVG: 3943600 -26.3222 10.0256 18.3448 10.0255 5.40034 20.469 18.3446 20.4689 12.3357 GPRESSAVG: 3943600 -25.36 11.7126 16.2726 9.09882 4.96513 19.4493 19.707 19.153 12.2861 TIMING: 3943600 CPU: 11460.7, 0.00290457/step Wall: 11460.7, 0.00290457/step, 0.852331 hours remaining, 207.171875 MB of memory in use. ENERGY: 3943600 738.6591 2088.9994 1924.9619 96.0992 -206444.4155 17896.9562 0.0000 0.0000 34315.9103 -149382.8294 299.6894 -183698.7398 -149281.2693 299.2577 -1.8970 31.8260 556329.3358 -2.8620 -2.7029 PRESSURE: 3943800 -157.78 -153.608 159.417 -153.608 -30.9719 64.0812 159.416 64.0809 44.2251 GPRESSURE: 3943800 -117.459 -160.64 203.31 -175.053 1.20361 41.1692 88.9524 116.456 77.3563 PRESSAVG: 3943800 11.7147 55.6027 -30.251 55.6028 -15.4714 1.52452 -30.251 1.52456 -8.75902 GPRESSAVG: 3943800 11.7655 53.5499 -28.8992 56.6762 -15.985 3.03387 -31.2115 2.42418 -8.45578 TIMING: 3943800 CPU: 11461.3, 0.00288521/step Wall: 11461.3, 0.00288521/step, 0.846489 hours remaining, 207.171875 MB of memory in use. ENERGY: 3943800 752.8723 2120.4029 1961.0983 115.5326 -206252.3586 17835.1009 0.0000 0.0000 34362.7676 -149104.5840 300.0986 -183467.3516 -149007.8063 299.4189 -48.1755 -12.9664 556077.1925 -4.1719 -4.2251 PRESSURE: 3944000 175.713 -196.164 73.2951 -196.163 61.6884 -112.376 73.2973 -112.375 47.4132 GPRESSURE: 3944000 168.332 -199.184 138.31 -145.485 56.9437 -39.2001 36.0861 -93.0911 163.848 PRESSAVG: 3944000 17.8683 -22.5219 -0.0434593 -22.5219 23.0214 -16.4943 -0.0435201 -16.4944 -8.0849 GPRESSAVG: 3944000 16.8848 -19.2093 -0.631718 -23.2866 22.4786 -16.4238 1.56124 -17.9013 -6.85135 TIMING: 3944000 CPU: 11461.9, 0.00290316/step Wall: 11461.9, 0.00290316/step, 0.851594 hours remaining, 207.171875 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: 3944000 734.8739 2156.9933 1959.9159 111.6377 -206158.8282 17908.1221 0.0000 0.0000 34334.7290 -148952.5562 299.8537 -183287.2852 -148860.0057 299.3225 94.9383 129.7080 556867.4639 10.9349 10.8374 PRESSURE: 3944200 -215.802 -47.1706 36.6853 -47.1714 113.807 -59.3956 36.6848 -59.3949 -271.722 GPRESSURE: 3944200 -171.789 -167.184 -27.277 -63.8711 127.154 -87.3265 -9.53262 -75.516 -223.789 PRESSAVG: 3944200 65.7082 -6.51242 10.7979 -6.51246 -59.3752 12.6208 10.7979 12.621 22.4904 GPRESSAVG: 3944200 66.2425 -8.2072 11.6089 -7.34981 -58.5298 12.4443 9.04035 12.3736 20.9209 TIMING: 3944200 CPU: 11462.5, 0.00288229/step Wall: 11462.5, 0.00288229/step, 0.845311 hours remaining, 207.171875 MB of memory in use. ENERGY: 3944200 758.5326 2038.1132 1954.6153 111.9229 -205822.7524 17501.0301 0.0000 0.0000 34370.6241 -149087.9142 300.1672 -183458.5383 -148989.8920 299.9523 -124.5725 -89.4746 555878.6847 9.6078 9.5446 LDB: ============= START OF LOAD BALANCING ============== 11465.9 LDB: ============== END OF LOAD BALANCING =============== 11465.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11465.9 LDB: ============= START OF LOAD BALANCING ============== 11466.2 LDB: Largest compute 4820 load 0.027787 is 23.6% of average load 0.117792 LDB: Average compute 0.001740 is 1.5% of average load 0.117792 LDB: TIME 11466.2 LOAD: AVG 0.117792 MAX 0.178637 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.117 MB LDB: TIME 11466.2 LOAD: AVG 0.117792 MAX 0.178637 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.32 MB LDB: TIME 11466.2 LOAD: AVG 0.117792 MAX 0.178637 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11466.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11466.2 PRESSURE: 3944400 -99.4476 49.6125 -85.9993 49.6124 83.8408 97.0584 -86.0006 97.059 28.125 GPRESSURE: 3944400 -80.1253 86.9951 -24.3208 57.6803 68.4566 84.0894 -95.5893 49.6774 110.692 PRESSAVG: 3944400 -20.3379 7.01144 -18.8405 7.0115 -36.9462 -21.652 -18.8405 -21.6521 60.7105 GPRESSAVG: 3944400 -21.2425 8.01635 -19.2262 6.53539 -36.7307 -22.649 -18.2786 -20.6434 61.6416 TIMING: 3944400 CPU: 11463.1, 0.00295772/step Wall: 11463.1, 0.00295772/step, 0.867269 hours remaining, 206.390625 MB of memory in use. ENERGY: 3944400 746.6588 2099.5274 1964.1383 101.4966 -206461.9543 17810.3123 0.0000 0.0000 34465.9064 -149273.9145 300.9993 -183739.8209 -149184.5674 299.6939 4.1727 33.0077 555795.5857 1.1422 1.2228 PRESSURE: 3944600 132.013 -91.5588 169.951 -91.5598 100.607 -174.57 169.95 -174.57 92.7435 GPRESSURE: 3944600 112.835 -153.935 189.882 -57.9813 181.297 -233.964 197.677 -103.121 139.87 PRESSAVG: 3944600 -11.8828 -45.0715 22.0994 -45.0716 30.5872 -48.6757 22.0994 -48.6757 -5.00712 GPRESSAVG: 3944600 -11.4881 -45.0657 22.3639 -44.3119 30.0371 -50.9453 20.4941 -47.2339 -4.5593 TIMING: 3944600 CPU: 11463.6, 0.00290124/step Wall: 11463.6, 0.00290124/step, 0.850547 hours remaining, 206.390625 MB of memory in use. ENERGY: 3944600 720.2387 2152.7468 1930.0851 107.9434 -206017.5771 17816.6443 0.0000 0.0000 34245.4646 -149044.4542 299.0742 -183289.9188 -148941.9104 299.3615 108.4547 144.6674 556320.5667 4.5657 4.6632 PRESSURE: 3944800 -329.088 15.3678 113.393 15.3684 -4.2093 43.5593 113.393 43.56 -38.3279 GPRESSURE: 3944800 -270.626 -57.6587 121.197 -0.31993 9.39274 66.2664 34.7684 -4.7348 -22.8016 PRESSAVG: 3944800 -18.2535 -50.3166 4.0037 -50.3165 -6.18632 47.1511 4.00375 47.1511 29.9506 GPRESSAVG: 3944800 -17.7771 -50.5587 2.3469 -52.7148 -5.57859 50.4153 6.84963 47.1821 28.451 TIMING: 3944800 CPU: 11464.2, 0.00289165/step Wall: 11464.2, 0.00289165/step, 0.847573 hours remaining, 206.593750 MB of memory in use. ENERGY: 3944800 750.9288 2105.8742 1951.1918 109.0556 -206086.7313 17591.7887 0.0000 0.0000 34379.1356 -149198.7565 300.2415 -183577.8921 -149105.3874 299.4279 -123.8751 -94.6783 557395.0126 1.8369 1.6984 PRESSURE: 3945000 -352.545 -18.2803 -58.2229 -18.2809 -231.408 94.3759 -58.2223 94.3747 -91.9737 GPRESSURE: 3945000 -371.683 -44.0292 3.394 22.9394 -114.345 81.4024 -55.1175 64.9175 -92.5887 PRESSAVG: 3945000 -38.5851 23.8466 39.7927 23.8466 36.404 52.1621 39.7927 52.1621 24.5155 GPRESSAVG: 3945000 -38.0167 24.5977 41.4142 27.2351 35.0926 49.7966 37.7206 51.8368 25.6676 TIMING: 3945000 CPU: 11464.8, 0.00289127/step Wall: 11464.8, 0.00289127/step, 0.847303 hours remaining, 206.593750 MB of memory in use. ENERGY: 3945000 740.7711 2126.3147 1958.1327 103.1431 -206007.5374 17388.8500 0.0000 0.0000 34579.9934 -149110.3324 301.9957 -183690.3257 -149019.3967 299.6386 -225.3090 -192.8720 556358.4947 7.4448 7.5812 PRESSURE: 3945200 13.2167 44.9924 86.7618 44.9926 -28.1399 -13.7201 86.762 -13.7215 403.959 GPRESSURE: 3945200 6.2248 98.8549 93.6552 -11.8443 25.0457 -46.2778 142.855 21.2397 443.4 PRESSAVG: 3945200 -9.07945 33.942 31.4157 33.9422 -25.8971 -27.4723 31.4157 -27.4723 60.0649 GPRESSAVG: 3945200 -10.1827 33.9065 31.3962 33.3245 -25.3519 -24.3896 31.9702 -28.5735 60.2928 TIMING: 3945200 CPU: 11465.4, 0.00292377/step Wall: 11465.4, 0.00292377/step, 0.856666 hours remaining, 206.593750 MB of memory in use. ENERGY: 3945200 713.2893 2080.4219 1952.3709 116.6697 -206176.4696 17859.8477 0.0000 0.0000 34334.8265 -149119.0435 299.8546 -183453.8700 -149022.5121 299.2794 129.6787 158.2236 557699.4414 8.3628 8.2528 PRESSURE: 3945400 189.493 29.6571 201.471 29.6572 -67.4828 -102.015 201.471 -102.015 111.081 GPRESSURE: 3945400 201.389 76.5882 127.406 -12.4532 7.6238 -102.024 283.729 -76.0183 116.737 PRESSAVG: 3945400 60.7029 18.3946 62.92 18.3947 8.37473 -40.0864 62.92 -40.0862 -30.1504 GPRESSAVG: 3945400 61.5212 16.6134 62.0436 18.285 8.41717 -41.9785 63.2398 -39.0046 -31.2222 TIMING: 3945400 CPU: 11466, 0.00292048/step Wall: 11466, 0.00292048/step, 0.855539 hours remaining, 206.593750 MB of memory in use. ENERGY: 3945400 762.3178 2080.2931 1950.2901 115.9930 -206137.1389 17929.7829 0.0000 0.0000 34184.0368 -149114.4252 298.5377 -183298.4619 -149010.1286 299.8960 77.6969 108.5833 557808.5725 12.9757 12.9054 PRESSURE: 3945600 -183.565 -8.07893 -60.5976 -8.07913 25.0238 -174.215 -60.5981 -174.213 -296.448 GPRESSURE: 3945600 -82.4447 89.1469 -15.4016 -67.2537 -10.6016 -92.257 -69.4033 -232.094 -278.128 PRESSAVG: 3945600 15.4897 -20.1693 28.5997 -20.1694 -6.1625 -17.1044 28.5998 -17.1044 23.5039 GPRESSAVG: 3945600 14.9751 -19.8255 29.0747 -20.5331 -6.4234 -16.9138 28.3607 -18.0988 24.4015 TIMING: 3945600 CPU: 11466.5, 0.0029185/step Wall: 11466.5, 0.0029185/step, 0.854797 hours remaining, 206.593750 MB of memory in use. ENERGY: 3945600 788.5172 2061.2856 1923.2107 118.7936 -206101.0679 17704.8724 0.0000 0.0000 34302.9103 -149201.4780 299.5758 -183504.3883 -149101.5055 299.3640 -151.6630 -123.7248 557695.0921 10.9437 10.9844 PRESSURE: 3945800 -426.094 58.4966 28.0537 58.496 -241.1 8.62614 28.0542 8.62654 -198.037 GPRESSURE: 3945800 -418.467 47.9872 40.2383 50.1265 -194.363 -56.0839 3.19215 -32.3906 -162.034 PRESSAVG: 3945800 27.0607 45.6413 -51.1209 45.6413 29.8399 -47.7839 -51.1209 -47.784 -0.203266 GPRESSAVG: 3945800 25.5395 45.921 -50.2208 46.4489 29.858 -45.9904 -51.1879 -49.2229 1.12513 TIMING: 3945800 CPU: 11467.1, 0.00289663/step Wall: 11467.1, 0.00289663/step, 0.848231 hours remaining, 206.593750 MB of memory in use. ENERGY: 3945800 763.4815 2070.9134 1953.6682 117.3494 -205760.0241 17485.0626 0.0000 0.0000 34270.9385 -149098.6103 299.2966 -183369.5488 -149005.0572 299.8746 -288.4107 -258.2880 559286.7948 18.8991 18.8409 PRESSURE: 3946000 40.6581 122.434 273.015 122.434 449.985 33.384 273.015 33.3833 -8.43964 GPRESSURE: 3946000 49.0974 72.2992 271.101 148.935 473.115 3.11275 267.529 -3.64785 46.546 PRESSAVG: 3946000 -48.7797 28.6257 8.16161 28.6257 40.4644 55.1317 8.1616 55.1318 -57.8236 GPRESSAVG: 3946000 -47.6912 27.2056 8.23251 30.4444 40.34 52.981 8.68611 54.8435 -59.0682 TIMING: 3946000 CPU: 11467.7, 0.00291578/step Wall: 11467.7, 0.00291578/step, 0.853676 hours remaining, 206.593750 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: 3946000 724.7542 2102.9268 1936.0397 115.4085 -206227.5952 18047.5776 0.0000 0.0000 34248.6602 -149052.2282 299.1021 -183300.8884 -148956.6707 299.3245 160.7344 189.5863 558390.0272 -22.0463 -22.1398 PRESSURE: 3946200 -1.5855 62.4475 -36.8426 62.4485 144.591 23.8528 -36.8444 23.8523 210.397 GPRESSURE: 3946200 48.8159 51.3104 -0.306113 95.0726 146.107 -0.993562 -11.572 31.5265 253.556 PRESSAVG: 3946200 37.5829 -1.16515 -1.10808 -1.16513 65.3655 28.2709 -1.10815 28.2709 -18.8816 GPRESSAVG: 3946200 36.7496 1.41761 -1.05738 -3.42733 65.624 28.6615 -1.48113 29.0139 -18.7112 TIMING: 3946200 CPU: 11468.3, 0.00292334/step Wall: 11468.3, 0.00292334/step, 0.855728 hours remaining, 206.593750 MB of memory in use. ENERGY: 3946200 731.9278 2109.8745 1951.2803 120.1005 -206304.9937 17914.6105 0.0000 0.0000 34379.5669 -149097.6333 300.2453 -183477.2002 -149001.5366 300.1217 117.8006 149.4928 556851.9537 28.0223 27.8875 PRESSURE: 3946400 -238.029 54.8891 74.1628 54.8896 -253.417 75.9534 74.1633 75.9546 -222.861 GPRESSURE: 3946400 -195.968 -46.268 18.6776 146.899 -216.468 35.4015 31.3838 77.0887 -195.956 PRESSAVG: 3946400 -11.7801 0.761205 -53.1021 0.761343 -49.6816 19.9335 -53.1021 19.9334 37.1915 GPRESSAVG: 3946400 -9.91034 0.349912 -53.2022 1.86775 -49.1345 19.8863 -54.242 21.0062 34.6605 TIMING: 3946400 CPU: 11468.9, 0.0029148/step Wall: 11468.9, 0.0029148/step, 0.853065 hours remaining, 206.593750 MB of memory in use. ENERGY: 3946400 755.1918 2103.1203 1951.2824 117.0694 -205573.5723 17322.0150 0.0000 0.0000 34102.5504 -149222.3430 297.8261 -183324.8934 -149116.6312 299.2608 -238.1023 -202.7972 556664.5290 -8.0901 -8.1281 PRESSURE: 3946600 -96.6915 116.012 -214.275 116.011 -348.545 168.374 -214.274 168.372 -186.412 GPRESSURE: 3946600 -91.0405 181.312 -267.711 140.382 -297.055 181.514 -110.888 167.467 -148.129 PRESSAVG: 3946600 89.7696 12.0956 -107.464 12.0957 -35.8006 65.5368 -107.463 65.5369 -24.8372 GPRESSAVG: 3946600 88.1303 10.9027 -107.533 12.0868 -36.1891 66.1166 -107.178 65.4898 -23.3176 TIMING: 3946600 CPU: 11469.5, 0.00291819/step Wall: 11469.5, 0.0029182/step, 0.853896 hours remaining, 206.593750 MB of memory in use. ENERGY: 3946600 784.1636 2054.4406 1944.8659 112.5946 -205744.5877 17611.3287 0.0000 0.0000 34028.9970 -149208.1973 297.1837 -183237.1943 -149112.9826 298.8769 -210.5496 -178.7415 558104.3896 9.7106 9.5412 PRESSURE: 3946800 -0.95888 16.7378 -97.5021 16.7364 -184.674 -24.8266 -97.5016 -24.826 236.308 GPRESSURE: 3946800 32.2622 56.4795 29.4743 14.2908 -140.559 -28.8524 -270.542 46.0318 245.215 PRESSAVG: 3946800 -4.05934 -8.11422 -62.2796 -8.11427 -18.4526 -13.4363 -62.2796 -13.4363 51.528 GPRESSAVG: 3946800 -3.0491 -7.60885 -63.5197 -9.34379 -19.1623 -12.069 -59.3626 -14.3063 51.8112 TIMING: 3946800 CPU: 11470, 0.00292667/step Wall: 11470, 0.00292667/step, 0.856213 hours remaining, 206.593750 MB of memory in use. ENERGY: 3946800 759.7375 2073.0061 1952.1205 107.8721 -206476.9814 18049.3901 0.0000 0.0000 34434.4840 -149100.3713 300.7249 -183534.8552 -148998.8715 298.7750 16.8916 45.6395 558776.2640 9.6720 9.8666 PRESSURE: 3947000 72.7472 110.219 -19.437 110.219 -221.481 68.564 -19.438 68.5628 192.267 GPRESSURE: 3947000 117.387 78.7439 -61.1126 131.201 -212.756 -26.7014 -30.6364 35.6555 239.457 PRESSAVG: 3947000 38.6152 -8.69337 23.9018 -8.69328 -87.5214 25.3424 23.9019 25.3425 26.3264 GPRESSAVG: 3947000 38.6331 -9.54055 24.6096 -6.75783 -86.8171 24.1579 22.7693 24.5274 25.7742 TIMING: 3947000 CPU: 11470.6, 0.0029404/step Wall: 11470.6, 0.0029404/step, 0.860067 hours remaining, 206.593750 MB of memory in use. ENERGY: 3947000 736.7859 2125.2501 1937.8939 128.3972 -206430.4349 18020.5810 0.0000 0.0000 34390.0143 -149091.5124 300.3365 -183481.5267 -148990.8801 299.3897 14.5110 48.0292 559011.5360 -7.5266 -7.4700 PRESSURE: 3947200 16.0665 126.999 2.94467 126.999 -273.227 -67.4421 2.94431 -67.4426 -175.843 GPRESSURE: 3947200 38.6968 92.0185 6.93066 167.269 -290.749 -106.111 59.9664 -77.1543 -84.1184 PRESSAVG: 3947200 14.7605 8.91806 12.1603 8.91795 -60.6497 -8.96594 12.1603 -8.96583 16.0326 GPRESSAVG: 3947200 14.5538 9.88184 12.1635 7.73902 -61.6133 -10.7165 11.9446 -5.9508 17.2315 TIMING: 3947200 CPU: 11471.2, 0.00293817/step Wall: 11471.2, 0.00293817/step, 0.859252 hours remaining, 206.593750 MB of memory in use. ENERGY: 3947200 747.3504 2068.3952 1958.7018 118.7836 -206327.6033 17781.1674 0.0000 0.0000 34442.4866 -149210.7184 300.7948 -183653.2050 -149111.2550 299.6656 -144.3345 -112.0568 559382.2781 -9.9522 -9.9427 PRESSURE: 3947400 335.971 153.268 58.1377 153.269 156.391 15.6733 58.1384 15.6737 115.062 GPRESSURE: 3947400 371.481 205.598 22.3304 92.947 239.415 10.4502 -28.9178 31.0506 85.4058 PRESSAVG: 3947400 -49.4862 74.481 5.61596 74.481 60.7047 -26.1014 5.61592 -26.1013 10.5193 GPRESSAVG: 3947400 -49.0735 73.5336 6.28385 74.2774 61.0519 -25.0504 4.18724 -26.7696 9.53998 TIMING: 3947400 CPU: 11471.8, 0.00290389/step Wall: 11471.8, 0.00290389/step, 0.849064 hours remaining, 206.593750 MB of memory in use. ENERGY: 3947400 762.3273 2126.6067 1928.7885 111.6687 -206724.9786 18060.5101 0.0000 0.0000 34381.3823 -149353.6949 300.2612 -183735.0773 -149258.7633 299.2283 202.4746 232.1007 556490.0013 7.2460 7.1728 PRESSURE: 3947600 35.8547 -150.071 39.179 -150.073 -141.988 31.2756 39.1786 31.2754 -156.073 GPRESSURE: 3947600 61.4444 -118.854 -82.9656 -135.355 -130.747 -46.1145 84.1512 139.33 -94.0349 PRESSAVG: 3947600 42.2536 -14.3287 -6.33842 -14.3287 -18.2812 -30.4588 -6.33843 -30.4589 -18.0281 GPRESSAVG: 3947600 41.3653 -14.3214 -6.76655 -11.5452 -18.3559 -29.9976 -5.33901 -30.7998 -16.9101 TIMING: 3947600 CPU: 11472.4, 0.00290948/step Wall: 11472.4, 0.00290948/step, 0.850538 hours remaining, 206.593750 MB of memory in use. ENERGY: 3947600 756.0655 2095.4157 1933.8576 122.7525 -206226.9511 17758.8185 0.0000 0.0000 34242.1506 -149317.8907 299.0452 -183560.0413 -149222.8460 299.3895 -87.4021 -54.4459 558686.2201 1.9815 2.0331 PRESSURE: 3947800 -423.189 -172.295 -17.2157 -172.295 -200.083 -143.967 -17.2171 -143.968 -27.7602 GPRESSURE: 3947800 -339.68 -186.968 -14.9433 -29.7403 -186.524 -87.2463 29.2504 -186.708 -21.4517 PRESSAVG: 3947800 17.9913 -19.5779 -21.1708 -19.5779 -48.4832 -35.1035 -21.1707 -35.1035 2.4169 GPRESSAVG: 3947800 17.7132 -22.2978 -20.8449 -20.3928 -48.4113 -33.4375 -20.7374 -36.5556 2.63252 TIMING: 3947800 CPU: 11473, 0.00289648/step Wall: 11473, 0.00289648/step, 0.846578 hours remaining, 206.593750 MB of memory in use. ENERGY: 3947800 778.7030 2113.2280 1935.9097 109.7690 -206389.4122 17862.2527 0.0000 0.0000 34194.6780 -149394.8719 298.6306 -183589.5499 -149302.0949 298.8190 -217.0110 -182.5519 558797.8896 -9.3584 -9.3552 PRESSURE: 3948000 -317.242 92.6182 -87.5243 92.6183 -262.502 189.11 -87.5234 189.11 -108.811 GPRESSURE: 3948000 -262.559 172.31 -143.384 38.5914 -275.158 220.548 -4.29821 199.935 -35.3092 PRESSAVG: 3948000 -30.8904 -32.8071 -76.0351 -32.8071 -4.04574 9.29412 -76.0351 9.29413 56.7891 GPRESSAVG: 3948000 -30.1813 -29.9651 -73.8101 -34.3336 -4.89594 8.72878 -77.1477 10.3927 57.1241 TIMING: 3948000 CPU: 11473.5, 0.00292252/step Wall: 11473.5, 0.00292252/step, 0.854025 hours remaining, 206.593750 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: 3948000 766.3932 2088.7788 1956.9284 120.9569 -206291.8348 17723.0286 0.0000 0.0000 34342.9798 -149292.7691 299.9258 -183635.7488 -149186.8999 298.7533 -229.5183 -191.0088 558913.5730 7.2843 7.3490 PRESSURE: 3948200 -267.557 31.7456 63.0126 31.7469 -42.7776 -34.2363 63.0132 -34.2369 -72.3769 GPRESSURE: 3948200 -188.323 86.7451 -51.3888 76.3253 16.656 -24.7147 86.9915 -12.6444 -101.834 PRESSAVG: 3948200 18.4742 2.97868 4.25598 2.97878 -47.5117 33.0105 4.25606 33.0105 73.8678 GPRESSAVG: 3948200 17.8259 3.98716 1.49423 3.11973 -46.3444 32.6093 4.07062 34.6216 74.0071 TIMING: 3948200 CPU: 11474.1, 0.00289544/step Wall: 11474.1, 0.00289544/step, 0.845951 hours remaining, 206.593750 MB of memory in use. ENERGY: 3948200 745.1026 2104.5403 1944.0391 113.2163 -206030.5278 17639.6219 0.0000 0.0000 34224.4840 -149259.5236 298.8909 -183484.0076 -149162.0487 298.8212 -127.5704 -91.1670 558345.0508 14.9434 15.1628 LDB: ============= START OF LOAD BALANCING ============== 11477.6 LDB: ============== END OF LOAD BALANCING =============== 11477.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11477.6 LDB: ============= START OF LOAD BALANCING ============== 11477.9 LDB: Largest compute 4820 load 0.027806 is 23.6% of average load 0.117713 LDB: Average compute 0.001738 is 1.5% of average load 0.117713 LDB: TIME 11477.9 LOAD: AVG 0.117713 MAX 0.180224 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 11477.9 LOAD: AVG 0.117713 MAX 0.180224 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: TIME 11477.9 LOAD: AVG 0.117713 MAX 0.180224 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11477.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11477.9 PRESSURE: 3948400 86.7212 -121.517 142.727 -121.517 44.3263 -64.2108 142.727 -64.2111 252.309 GPRESSURE: 3948400 151.753 -129.634 207.779 -132.706 67.4249 -58.9885 -10.8538 -89.2762 266.2 PRESSAVG: 3948400 -50.0199 -15.5734 -16.4776 -15.5735 2.64469 8.56017 -16.4776 8.56003 9.78556 GPRESSAVG: 3948400 -50.4727 -18.0776 -17.4698 -15.0375 1.56266 9.61974 -15.5806 5.2067 9.96278 TIMING: 3948400 CPU: 11474.7, 0.00299562/step Wall: 11474.7, 0.00299562/step, 0.875053 hours remaining, 208.832031 MB of memory in use. ENERGY: 3948400 740.9624 2063.2165 1952.4347 120.7981 -206436.4326 18084.1647 0.0000 0.0000 34127.3966 -149347.4597 298.0430 -183474.8563 -149241.7583 298.3314 127.7854 161.7925 558874.4289 -12.5299 -12.9824 PRESSURE: 3948600 58.0237 -32.9474 146.219 -32.9487 265.502 12.6431 146.219 12.6438 70.98 GPRESSURE: 3948600 69.6935 76.537 64.4449 -67.7022 339.109 160.919 122.287 25.496 80.3245 PRESSAVG: 3948600 -50.8752 -60.8644 -2.07564 -60.8645 -3.36207 -20.9382 -2.07565 -20.9382 36.4267 GPRESSAVG: 3948600 -50.3357 -60.6005 -0.964555 -60.1373 -3.66869 -22.128 -3.45905 -16.7441 35.6615 TIMING: 3948600 CPU: 11475.3, 0.00295111/step Wall: 11475.3, 0.00295111/step, 0.861887 hours remaining, 209.218750 MB of memory in use. ENERGY: 3948600 722.3754 2133.6255 1940.8266 115.7549 -206715.1598 18224.7334 0.0000 0.0000 34120.3532 -149457.4907 297.9815 -183577.8439 -149365.0110 298.5990 131.5020 163.0424 558008.5849 -5.9369 -6.1143 PRESSURE: 3948800 103.814 -64.172 -80.1828 -64.1723 -255.341 -22.7781 -80.1829 -22.779 -155.039 GPRESSURE: 3948800 75.432 -68.1509 -59.4686 -75.6814 -173.865 -50.5508 -85.3256 -18.4545 -111.06 PRESSAVG: 3948800 36.2718 -39.0975 0.837903 -39.0974 55.2084 -26.0368 0.837953 -26.0371 -44.4747 GPRESSAVG: 3948800 34.4523 -39.7261 2.35949 -39.5269 56.5166 -26.0116 2.36624 -28.1769 -43.8949 TIMING: 3948800 CPU: 11475.9, 0.00293823/step Wall: 11475.9, 0.00293823/step, 0.857962 hours remaining, 209.218750 MB of memory in use. ENERGY: 3948800 746.5490 2099.0156 1964.3848 113.3308 -206492.6690 18023.5161 0.0000 0.0000 34225.6589 -149320.2139 298.9012 -183545.8728 -149228.5512 298.0020 -102.1886 -69.8309 558787.1923 15.6685 15.6913 PRESSURE: 3949000 100.485 -10.3118 -107.94 -10.3108 42.3989 -78.8546 -107.938 -78.8559 -189.074 GPRESSURE: 3949000 131.089 -26.5082 -125.93 -19.1356 82.2937 5.75475 -109.312 -103.818 -166.281 PRESSAVG: 3949000 49.7811 41.4493 8.54555 41.4493 -58.9273 -10.6416 8.54557 -10.6415 -11.5241 GPRESSAVG: 3949000 50.8845 43.6172 8.33094 38.9016 -59.0929 -12.044 6.80358 -9.26867 -12.8115 TIMING: 3949000 CPU: 11476.5, 0.00291148/step Wall: 11476.5, 0.00291148/step, 0.849992 hours remaining, 209.218750 MB of memory in use. ENERGY: 3949000 774.4896 2086.8634 1976.0995 100.4879 -206608.4515 17999.5618 0.0000 0.0000 34176.8904 -149494.0588 298.4753 -183670.9493 -149394.4535 298.5590 -15.3967 15.7003 558184.3006 -6.8901 -7.0066 PRESSURE: 3949200 -130.947 -20.5701 94.2696 -20.5719 -71.8973 56.3397 94.27 56.3392 -50.2021 GPRESSURE: 3949200 -40.9446 1.71307 121.989 36.9534 -35.4918 93.4806 51.5258 105.803 -80.8402 PRESSAVG: 3949200 43.414 -34.5297 1.70899 -34.5297 19.6823 33.5969 1.709 33.597 -32.8865 GPRESSAVG: 3949200 43.2734 -33.6741 0.398126 -31.6321 19.5606 33.1461 3.00758 33.135 -32.5017 TIMING: 3949200 CPU: 11477.1, 0.0029019/step Wall: 11477.1, 0.0029019/step, 0.847033 hours remaining, 209.218750 MB of memory in use. ENERGY: 3949200 741.3742 2124.4320 1982.7216 108.3178 -206572.5964 17860.1244 0.0000 0.0000 34221.4972 -149534.1292 298.8648 -183755.6264 -149432.6006 298.6092 -84.3489 -52.4255 556876.0586 10.0699 10.1108 PRESSURE: 3949400 -194.696 -64.7957 -5.27659 -64.7962 -82.3775 124.422 -5.27588 124.422 92.1275 GPRESSURE: 3949400 -104.757 -85.6191 29.3179 -35.77 -71.096 105.017 28.8954 82.7784 77.9406 PRESSAVG: 3949400 -2.46884 62.5717 15.7833 62.5716 -0.697344 22.8971 15.7834 22.8972 11.0933 GPRESSAVG: 3949400 -3.77472 61.4672 17.4642 63.0659 -0.950506 24.6765 15.2908 22.6047 12.172 TIMING: 3949400 CPU: 11477.6, 0.00291326/step Wall: 11477.6, 0.00291326/step, 0.850186 hours remaining, 209.218750 MB of memory in use. ENERGY: 3949400 776.2327 2105.9267 1958.8110 114.3220 -205873.9344 17586.6306 0.0000 0.0000 33770.5089 -149561.5025 294.9263 -183332.0114 -149465.3925 297.8893 -61.6487 -32.6376 558369.9926 2.6424 2.4822 PRESSURE: 3949600 -224.981 -16.9485 -70.0296 -16.948 -115.769 15.8047 -70.03 15.8047 -212.293 GPRESSURE: 3949600 -175.381 -28.9272 1.41145 -86.9741 -93.8158 9.8961 -64.7755 -52.3778 -172.164 PRESSAVG: 3949600 -5.80807 18.8036 -32.7713 18.8036 -8.78542 -17.2423 -32.7713 -17.2423 -11.22 GPRESSAVG: 3949600 -5.54162 19.3475 -33.0363 17.3759 -7.85931 -16.8818 -33.0098 -17.4029 -11.8712 TIMING: 3949600 CPU: 11478.2, 0.00290806/step Wall: 11478.2, 0.00290806/step, 0.848508 hours remaining, 209.218750 MB of memory in use. ENERGY: 3949600 758.8739 2101.5183 1959.4535 122.1903 -206536.1907 17761.5364 0.0000 0.0000 34128.1020 -149704.5161 298.0492 -183832.6181 -149608.4224 297.3761 -184.3474 -147.1200 557456.3789 -8.6045 -8.4240 PRESSURE: 3949800 -181.85 121.409 55.9196 121.408 -297.142 -47.1735 55.9191 -47.1739 -157.08 GPRESSURE: 3949800 -191.842 118.321 -4.83108 39.1532 -223.013 -52.0314 68.6973 -8.19528 -122.197 PRESSAVG: 3949800 4.30324 -2.47254 -24.0678 -2.47256 17.3569 27.0124 -24.0678 27.0124 -11.0663 GPRESSAVG: 3949800 3.11506 -1.5218 -23.192 -1.77273 17.0884 27.6929 -23.7324 23.9959 -10.3179 TIMING: 3949800 CPU: 11478.8, 0.00292083/step Wall: 11478.8, 0.00292083/step, 0.852072 hours remaining, 209.218750 MB of memory in use. ENERGY: 3949800 721.3963 2049.3472 1935.1567 116.7393 -206086.0970 17638.4971 0.0000 0.0000 33956.8595 -149668.1008 296.5537 -183624.9603 -149574.5478 298.1216 -212.0238 -179.0173 557637.3545 3.5313 3.2952 PRESSURE: 3950000 -273.826 -34.5469 -92.6898 -34.5481 -132.327 -98.3813 -92.69 -98.3831 57.142 GPRESSURE: 3950000 -202.724 -53.2319 -106.889 -20.539 -123.78 -27.9657 -36.5576 -122.581 86.8843 PRESSAVG: 3950000 -42.1951 17.9456 33.563 17.9454 49.2895 -13.6069 33.5629 -13.6068 35.5162 GPRESSAVG: 3950000 -39.1506 15.9737 33.1957 16.7486 47.6202 -11.3814 35.3764 -11.313 34.7513 TIMING: 3950000 CPU: 11479.4, 0.00290657/step Wall: 11479.4, 0.00290657/step, 0.84775 hours remaining, 209.289062 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: 3950000 736.6331 2036.3846 1928.1529 97.3925 -206141.0780 17710.4527 0.0000 0.0000 34221.4620 -149410.6002 298.8645 -183632.0622 -149308.6997 298.0230 -116.3370 -79.8730 557776.9436 14.2035 14.4070 PRESSURE: 3950200 -28.9585 -71.8719 134.578 -71.8731 -100.848 -96.6137 134.578 -96.6137 -67.977 GPRESSURE: 3950200 -4.67533 -31.6424 118.639 -56.734 -49.9889 -122.945 110.652 -13.1874 -46.5014 PRESSAVG: 3950200 16.7667 -57.2584 40.5866 -57.2583 51.7099 -33.5194 40.5866 -33.5195 -6.19522 GPRESSAVG: 3950200 14.363 -57.5682 39.9681 -56.3195 54.5526 -36.8081 40.2616 -33.4221 -6.71668 TIMING: 3950200 CPU: 11480, 0.00293453/step Wall: 11480, 0.00293453/step, 0.855741 hours remaining, 209.289062 MB of memory in use. ENERGY: 3950200 747.4959 2072.9625 1924.9552 115.6523 -206527.6356 17894.3991 0.0000 0.0000 34452.5054 -149319.6650 300.8823 -183772.1704 -149226.0586 298.9586 -65.9278 -33.7219 556817.3726 20.7605 20.7330 PRESSURE: 3950400 -110.268 -246.243 -229.119 -246.244 29.2124 -26.1344 -229.119 -26.1349 13.4742 GPRESSURE: 3950400 -59.2798 -300.315 -221.65 -250.993 33.3317 2.9973 -167.08 -89.1655 44.5572 PRESSAVG: 3950400 -27.7207 -16.6437 1.0356 -16.6437 -17.7703 69.1714 1.0356 69.1714 -24.714 GPRESSAVG: 3950400 -27.4496 -15.7705 2.60904 -17.0095 -18.3277 68.0904 0.588836 69.7897 -24.6805 TIMING: 3950400 CPU: 11480.6, 0.0029039/step Wall: 11480.6, 0.0029039/step, 0.846647 hours remaining, 209.289062 MB of memory in use. ENERGY: 3950400 711.6914 2119.1311 1969.1646 114.4277 -206305.5938 17934.9836 0.0000 0.0000 34242.7139 -149213.4816 299.0501 -183456.1954 -149111.6649 299.0097 -22.5270 6.2031 558919.0027 -23.4017 -23.4859 PRESSURE: 3950600 116.531 50.7012 14.5865 50.7016 -167.658 98.0506 14.5862 98.0517 -1.82193 GPRESSURE: 3950600 180.994 -24.0732 18.4002 54.1782 -159.393 52.6644 -0.213251 110.553 18.0296 PRESSAVG: 3950600 2.7888 -21.4086 -44.9794 -21.4086 5.07972 61.3298 -44.9793 61.3297 4.37298 GPRESSAVG: 3950600 1.55753 -22.447 -45.0721 -19.6068 5.10972 63.6148 -43.6246 59.8857 5.13968 TIMING: 3950600 CPU: 11481.1, 0.00290881/step Wall: 11481.1, 0.00290881/step, 0.847919 hours remaining, 209.289062 MB of memory in use. ENERGY: 3950600 737.5641 2056.3094 1942.6999 102.5590 -206220.9436 17903.2912 0.0000 0.0000 34457.0152 -149021.5048 300.9217 -183478.5200 -148933.9385 299.4306 -17.6497 13.2102 558415.5665 4.0805 3.9356 PRESSURE: 3950800 -83.0317 209.079 42.0794 209.079 4.81129 10.728 42.0788 10.7281 252.932 GPRESSURE: 3950800 -60.3179 187.525 22.2463 183.79 59.4816 14.3377 23.4615 -37.0926 274.775 PRESSAVG: 3950800 -1.43752 28.3674 3.40485 28.3674 -56.2123 1.91386 3.40485 1.91388 52.4842 GPRESSAVG: 3950800 -0.652592 28.6682 3.26517 26.0658 -56.465 1.76481 0.908089 2.59984 52.1514 TIMING: 3950800 CPU: 11481.7, 0.00292283/step Wall: 11481.7, 0.00292283/step, 0.851841 hours remaining, 209.289062 MB of memory in use. ENERGY: 3950800 705.2741 2085.2952 1937.3007 103.1468 -205922.9835 17893.7315 0.0000 0.0000 34182.6145 -149015.6208 298.5253 -183198.2353 -148914.0079 298.9841 58.2373 91.3128 558999.2792 -1.7219 -1.6554 PRESSURE: 3951000 -78.2247 52.4481 -155.759 52.449 72.8767 -47.861 -155.759 -47.8593 -20.8761 GPRESSURE: 3951000 -35.0185 57.2452 -138.406 99.431 55.4124 -45.4262 -208.505 -23.5951 28.0093 PRESSAVG: 3951000 33.1212 -12.2154 13.2805 -12.2154 14.7615 -16.5824 13.2804 -16.5823 -11.7962 GPRESSAVG: 3951000 33.3328 -10.874 12.4627 -11.7067 15.0193 -17.0356 15.1303 -16.3504 -11.8741 TIMING: 3951000 CPU: 11482.3, 0.00290477/step Wall: 11482.3, 0.00290477/step, 0.846417 hours remaining, 209.289062 MB of memory in use. ENERGY: 3951000 771.8806 2071.3024 1925.7905 100.5060 -205497.9876 17501.3484 0.0000 0.0000 34340.3353 -148786.8244 299.9027 -183127.1596 -148693.7629 299.9341 -8.7414 16.1344 557214.8404 12.0288 12.1594 PRESSURE: 3951200 -54.8294 36.4497 -41.5519 36.45 -143.275 -50.4245 -41.5517 -50.4244 -29.6617 GPRESSURE: 3951200 -23.9016 103.934 2.2208 -52.1814 -111.39 -54.7836 -102.165 -37.516 9.53244 PRESSAVG: 3951200 -10.5917 -5.99784 20.3366 -5.99789 -22.4831 -8.21195 20.3365 -8.21182 28.2875 GPRESSAVG: 3951200 -9.11221 -6.41575 20.0401 -5.89332 -23.8758 -10.2875 20.2993 -8.08698 28.5994 TIMING: 3951200 CPU: 11482.9, 0.00292105/step Wall: 11482.9, 0.00292105/step, 0.851001 hours remaining, 209.289062 MB of memory in use. ENERGY: 3951200 764.2231 2122.0605 1938.5271 114.0019 -205639.2803 17671.8367 0.0000 0.0000 34017.9117 -149010.7192 297.0869 -183028.6309 -148918.9282 299.7126 -75.9220 -41.9196 558667.4796 -1.5958 -1.4629 PRESSURE: 3951400 215.275 -79.3615 222.225 -79.3605 391.306 83.9131 222.223 83.9127 267.588 GPRESSURE: 3951400 257.989 -49.2775 311.661 -94.1404 408.039 179.592 209.003 3.73265 299.406 PRESSAVG: 3951400 15.1968 -4.47032 18.1618 -4.47031 8.37182 -55.5647 18.1617 -55.5648 2.16756 GPRESSAVG: 3951400 14.0302 -6.17858 19.5482 -4.30677 9.3155 -53.3067 15.8382 -56.9332 2.84802 TIMING: 3951400 CPU: 11483.5, 0.00290422/step Wall: 11483.5, 0.00290422/step, 0.845934 hours remaining, 209.289062 MB of memory in use. ENERGY: 3951400 721.0242 2113.9389 1929.7749 115.3668 -206343.7661 18109.8666 0.0000 0.0000 34347.3319 -149006.4627 299.9638 -183353.7946 -148910.3469 299.0499 291.3895 321.8112 556521.7816 8.5787 8.7312 PRESSURE: 3951600 -82.3422 110.796 33.0491 110.795 31.3981 -37.6208 33.0493 -37.6201 -98.2741 GPRESSURE: 3951600 -97.9183 165.439 -101.151 77.5236 72.2457 -6.37552 53.1735 -54.7061 -36.4816 PRESSAVG: 3951600 7.04517 -29.3 29.3863 -29.3 -33.5767 -1.06578 29.3863 -1.06587 12.649 GPRESSAVG: 3951600 5.9052 -29.174 27.7847 -29.116 -33.3489 -0.202306 31.8496 -1.75067 13.008 TIMING: 3951600 CPU: 11484.1, 0.00290694/step Wall: 11484.1, 0.00290694/step, 0.846565 hours remaining, 209.289062 MB of memory in use. ENERGY: 3951600 740.3725 2106.2893 1933.6690 103.2520 -206158.1779 17793.2410 0.0000 0.0000 34338.0941 -149143.2600 299.8831 -183481.3542 -149045.3871 300.3975 -49.7394 -20.7181 558231.9359 -4.6275 -4.8119 PRESSURE: 3951800 -22.9205 -35.9508 1.59576 -35.9508 -35.9886 -66.9131 1.59536 -66.9121 -2.82508 GPRESSURE: 3951800 41.085 -99.6504 46.1839 12.5716 -6.24498 -79.6697 -29.7335 -109.367 2.62244 PRESSAVG: 3951800 42.2837 13.6554 -24.4014 13.6554 -64.0856 -62.8549 -24.4014 -62.855 52.5749 GPRESSAVG: 3951800 42.212 15.7437 -22.7 12.4856 -63.5364 -65.2328 -24.7339 -62.6728 51.5847 TIMING: 3951800 CPU: 11484.6, 0.00291171/step Wall: 11484.6, 0.00291171/step, 0.847794 hours remaining, 209.289062 MB of memory in use. ENERGY: 3951800 754.9524 2168.4689 1930.5529 110.6233 -205847.2497 17720.2645 0.0000 0.0000 34214.0365 -148948.3511 298.7997 -183162.3876 -148855.2413 300.0694 -20.5781 12.4875 556600.9370 10.2577 10.0868 PRESSURE: 3952000 45.6002 108.924 69.9736 108.925 131.637 57.8674 69.9723 57.8684 144.33 GPRESSURE: 3952000 75.0698 2.10446 145.163 91.0022 244.682 -9.98766 93.8602 40.0491 108.537 PRESSAVG: 3952000 30.1458 -2.91129 19.8131 -2.91119 7.05206 -79.3025 19.8131 -79.3025 -18.7709 GPRESSAVG: 3952000 30.3611 -5.5468 17.7704 -2.29705 6.65652 -78.048 21.2116 -77.8523 -18.9598 TIMING: 3952000 CPU: 11485.2, 0.00292856/step Wall: 11485.2, 0.00292856/step, 0.852536 hours remaining, 209.289062 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: 3952000 754.7766 2077.6497 1926.7912 113.9596 -206171.4229 18053.2541 0.0000 0.0000 34273.2790 -148971.7127 299.3171 -183244.9917 -148879.6715 300.7488 107.1890 142.7630 555612.8622 6.1423 6.0193 PRESSURE: 3952200 -153.98 114.973 -28.8389 114.972 222.153 -70.6671 -28.8383 -70.6653 -39.4008 GPRESSURE: 3952200 -99.844 113.775 -115.598 41.2875 215.528 -18.3523 120.833 -92.157 0.195806 PRESSAVG: 3952200 -22.1096 52.8572 27.9564 52.8572 28.4188 14.7978 27.9563 14.7978 36.6834 GPRESSAVG: 3952200 -21.4874 55.1483 26.7016 52.5566 27.9113 16.861 27.2024 11.6255 36.9796 TIMING: 3952200 CPU: 11485.8, 0.00292787/step Wall: 11485.8, 0.00292787/step, 0.852174 hours remaining, 209.289062 MB of memory in use. ENERGY: 3952200 742.8891 2125.6992 1957.1125 117.9096 -206186.8133 17918.3805 0.0000 0.0000 34424.8545 -148899.9679 300.6408 -183324.8224 -148799.0299 300.6477 9.5907 38.6267 558192.8116 14.3309 14.4678 LDB: ============= START OF LOAD BALANCING ============== 11489.3 LDB: ============== END OF LOAD BALANCING =============== 11489.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11489.3 LDB: ============= START OF LOAD BALANCING ============== 11489.6 LDB: Largest compute 4820 load 0.028151 is 23.9% of average load 0.117795 LDB: Average compute 0.001743 is 1.5% of average load 0.117795 LDB: TIME 11489.6 LOAD: AVG 0.117795 MAX 0.183499 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 11489.6 LOAD: AVG 0.117795 MAX 0.183499 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: TIME 11489.6 LOAD: AVG 0.117795 MAX 0.183499 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.43 MB LDB: ============== END OF LOAD BALANCING =============== 11489.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11489.6 PRESSURE: 3952400 -278.855 49.3085 179.936 49.3098 -102.099 41.3381 179.935 41.339 -67.3358 GPRESSURE: 3952400 -212.205 85.6115 177.618 86.1498 -106.123 79.2881 102.838 7.77025 -36.3142 PRESSAVG: 3952400 -40.0448 1.88681 -4.72284 1.88694 90.0297 2.64031 -4.72285 2.64034 -22.2151 GPRESSAVG: 3952400 -39.3325 0.192585 -4.30853 3.60835 89.312 0.859189 -4.14676 4.49493 -21.712 TIMING: 3952400 CPU: 11486.4, 0.00299465/step Wall: 11486.4, 0.00299465/step, 0.871443 hours remaining, 208.046875 MB of memory in use. ENERGY: 3952400 747.5305 2130.4758 1967.4936 108.3176 -205437.5450 17364.6000 0.0000 0.0000 34181.1230 -148938.0046 298.5122 -183119.1275 -148846.2219 299.8559 -149.4299 -118.2139 558413.4747 9.2566 9.4225 PRESSURE: 3952600 67.5858 -17.4108 19.2216 -17.4103 16.3085 -196.542 19.2217 -196.542 -121.506 GPRESSURE: 3952600 92.4376 3.36836 -27.4162 -62.7706 27.8016 -113.302 68.8513 -218.518 -81.3565 PRESSAVG: 3952600 11.444 29.2897 2.14302 29.2898 2.37867 -14.8996 2.14297 -14.8995 -20.1659 GPRESSAVG: 3952600 10.9335 29.458 2.31232 29.9352 2.65299 -13.8072 0.762895 -14.1794 -19.1538 TIMING: 3952600 CPU: 11487, 0.00294819/step Wall: 11487, 0.00294819/step, 0.85776 hours remaining, 208.152344 MB of memory in use. ENERGY: 3952600 738.6132 2136.5368 1918.8228 115.1377 -205830.7258 17723.5257 0.0000 0.0000 34403.6562 -148794.4333 300.4557 -183198.0895 -148701.9787 300.1852 -12.5374 12.9609 558481.8473 -2.1144 -1.8558 PRESSURE: 3952800 197.466 -13.4922 -50.341 -13.4923 46.9657 -46.5762 -50.3419 -46.5753 -85.0327 GPRESSURE: 3952800 212.701 -28.9896 -7.70749 5.90727 66.4473 11.6589 36.482 -24.9802 -17.5973 PRESSAVG: 3952800 -31.4423 1.03376 -74.0907 1.03369 23.3744 7.92351 -74.0908 7.92348 -6.53808 GPRESSAVG: 3952800 -31.569 1.97778 -74.6541 -0.534288 23.9797 7.14716 -73.2302 7.94287 -6.67705 TIMING: 3952800 CPU: 11487.6, 0.00295637/step Wall: 11487.6, 0.00295637/step, 0.859975 hours remaining, 208.222656 MB of memory in use. ENERGY: 3952800 719.7327 2083.4290 1943.7812 121.8506 -205909.9243 17904.0749 0.0000 0.0000 34309.0077 -148828.0482 299.6291 -183137.0558 -148743.3477 300.3447 53.1328 87.1838 559340.0647 -4.8686 -4.7554 PRESSURE: 3953000 46.7974 -111.054 -22.4786 -111.053 95.8456 -31.2795 -22.4781 -31.2779 183.162 GPRESSURE: 3953000 55.8957 -112.652 54.567 -38.5001 161.301 -78.6951 -63.8179 32.5681 204.868 PRESSAVG: 3953000 49.4879 -32.995 18.0069 -32.995 11.6433 -4.75173 18.0069 -4.75175 -37.5549 GPRESSAVG: 3953000 50.5159 -33.1598 18.6286 -32.6817 11.3995 -4.75013 17.7437 -5.61561 -38.2383 TIMING: 3953000 CPU: 11488.2, 0.00294414/step Wall: 11488.2, 0.00294414/step, 0.856254 hours remaining, 208.222656 MB of memory in use. ENERGY: 3953000 734.9554 2055.1338 1947.6345 109.5822 -205922.2535 17974.2491 0.0000 0.0000 34294.0917 -148806.6069 299.4988 -183100.6985 -148708.2788 300.4367 108.6016 140.6883 557808.7847 7.8588 7.8923 PRESSURE: 3953200 339.548 78.5084 106.422 78.5084 70.5611 -294.102 106.421 -294.101 310.492 GPRESSURE: 3953200 394.129 154.333 131.065 75.7329 78.4416 -170.892 107.492 -262.129 338.078 PRESSAVG: 3953200 60.9086 -10.1921 -5.03308 -10.192 -41.2215 -26.8391 -5.03309 -26.8391 9.18516 GPRESSAVG: 3953200 58.5482 -9.2778 -5.62826 -11.6342 -40.0862 -27.2074 -4.32696 -25.7011 10.6324 TIMING: 3953200 CPU: 11488.8, 0.00293856/step Wall: 11488.8, 0.00293856/step, 0.854468 hours remaining, 208.464844 MB of memory in use. ENERGY: 3953200 711.2754 2059.9228 1955.0893 114.3185 -206027.8791 17995.8276 0.0000 0.0000 34306.7861 -148884.6595 299.6097 -183191.4455 -148779.5828 300.3769 240.2003 270.2161 556667.6289 9.6241 9.6981 PRESSURE: 3953400 -138.574 95.0807 130.088 95.0813 144.511 12.6894 130.088 12.6895 -5.15715 GPRESSURE: 3953400 -72.4303 110.762 156.501 77.0658 161.641 13.5151 164.489 -86.3106 7.20396 PRESSAVG: 3953400 -36.264 15.9124 102.64 15.9124 24.5383 -6.20633 102.64 -6.20627 -15.3805 GPRESSAVG: 3953400 -34.7954 15.2848 101.31 15.4596 22.8271 -6.39346 103.232 -7.22811 -15.0667 TIMING: 3953400 CPU: 11489.4, 0.00295463/step Wall: 11489.4, 0.00295463/step, 0.858977 hours remaining, 208.464844 MB of memory in use. ENERGY: 3953400 740.4848 2059.8181 1926.1886 97.3367 -205912.0135 17817.2179 0.0000 0.0000 34474.1982 -148796.7691 301.0717 -183270.9673 -148693.8683 300.1216 0.2596 32.1381 559270.3689 -9.0354 -9.0117 PRESSURE: 3953600 -489.737 5.15954 57.3498 5.15731 -120.152 90.5357 57.3496 90.5358 -174.811 GPRESSURE: 3953600 -422.019 -61.761 11.1956 7.29578 -156.944 98.8953 166.441 159.341 -107.847 PRESSAVG: 3953600 1.03123 43.4056 41.2719 43.4054 26.7095 -0.138783 41.2719 -0.13883 5.34901 GPRESSAVG: 3953600 2.80303 41.7375 43.494 44.2019 25.6816 0.765829 39.9218 0.378202 4.64209 TIMING: 3953600 CPU: 11489.9, 0.00293183/step Wall: 11489.9, 0.00293183/step, 0.852186 hours remaining, 208.464844 MB of memory in use. ENERGY: 3953600 763.9002 2157.3624 1945.9477 108.3996 -205851.9083 17605.3304 0.0000 0.0000 34286.3085 -148984.6595 299.4309 -183270.9680 -148887.2148 300.2129 -261.5669 -228.9367 560520.2555 11.0299 11.0423 PRESSURE: 3953800 -181.012 -161.862 -5.74667 -161.861 -346.936 -119.08 -5.74646 -119.078 -357.449 GPRESSURE: 3953800 -144.411 -154.788 11.6643 -96.9529 -311.576 -104.31 41.7857 -123.936 -339.686 PRESSAVG: 3953800 32.724 39.1002 17.1777 39.1002 58.1605 2.86366 17.1776 2.86353 -76.0791 GPRESSAVG: 3953800 30.8103 40.48 17.1409 39.1094 59.9816 3.91167 14.7296 2.6933 -75.9541 TIMING: 3953800 CPU: 11490.5, 0.00293959/step Wall: 11490.5, 0.00293959/step, 0.854279 hours remaining, 208.464844 MB of memory in use. ENERGY: 3953800 753.6229 2089.2653 1970.1710 113.0561 -205761.7499 17433.9836 0.0000 0.0000 34392.4421 -149009.2089 300.3578 -183401.6510 -148912.0377 299.8805 -295.1322 -265.2242 558925.9551 4.9352 4.9459 PRESSURE: 3954000 196.393 -75.3274 -17.8697 -75.3261 -60.7381 189.396 -17.8702 189.395 -332.975 GPRESSURE: 3954000 272.617 -79.5749 -16.3735 -45.8718 -10.7713 163.361 -107.903 233.379 -368.489 PRESSAVG: 3954000 108.026 -46.4612 12.6624 -46.4612 -50.9716 -47.5843 12.6624 -47.5841 -45.6802 GPRESSAVG: 3954000 106.343 -47.4547 13.4282 -44.6067 -50.8107 -49.4146 12.9328 -47.5831 -44.3632 TIMING: 3954000 CPU: 11491.1, 0.00294825/step Wall: 11491.1, 0.00294825/step, 0.856629 hours remaining, 208.464844 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: 3954000 717.6975 2109.7125 1941.0971 111.8266 -205959.5975 17621.5656 0.0000 0.0000 34394.4651 -149063.2332 300.3754 -183457.6984 -148964.1717 299.8630 -65.7731 -35.5481 557724.0383 3.7915 3.7230 PRESSURE: 3954200 110.803 153.215 15.095 153.217 -95.2495 -180.429 15.0953 -180.429 -74.4635 GPRESSURE: 3954200 101.073 162.735 -6.00989 199.25 -91.4751 -155.134 -22.0531 -87.4638 32.8857 PRESSAVG: 3954200 70.2885 32.0872 21.2783 32.0873 -16.5429 -6.9784 21.2784 -6.97834 -50.5235 GPRESSAVG: 3954200 71.8076 31.4401 20.3935 30.9409 -16.7671 -5.68833 22.553 -8.4855 -51.9401 TIMING: 3954200 CPU: 11491.7, 0.0029276/step Wall: 11491.7, 0.0029276/step, 0.850469 hours remaining, 208.464844 MB of memory in use. ENERGY: 3954200 760.1287 2067.1343 1944.5507 121.4855 -205882.5946 17709.5104 0.0000 0.0000 34150.7834 -149129.0014 298.2473 -183279.7848 -149032.3335 299.7921 -19.6368 14.1611 556074.5509 1.0740 1.0335 PRESSURE: 3954400 -71.6934 -83.2841 -6.50681 -83.2828 233 -33.6458 -6.5078 -33.6451 274.385 GPRESSURE: 3954400 -64.9179 -98.8381 4.14352 -133.897 333.607 -94.242 108.222 0.156905 268.542 PRESSAVG: 3954400 64.6965 45.197 0.413976 45.197 34.1221 -29.6606 0.414013 -29.6606 -74.4649 GPRESSAVG: 3954400 64.278 46.8709 2.28282 44.1029 34.3069 -32.4441 -1.87145 -27.8931 -73.9269 TIMING: 3954400 CPU: 11492.3, 0.00293636/step Wall: 11492.3, 0.00293636/step, 0.85285 hours remaining, 208.464844 MB of memory in use. ENERGY: 3954400 701.4794 2101.1005 1941.6132 106.1573 -205918.1228 17832.3185 0.0000 0.0000 34379.6884 -148855.7655 300.2464 -183235.4539 -148758.2314 299.7911 145.2304 179.0770 556809.1328 8.1179 8.2193 PRESSURE: 3954600 -162.621 57.9495 -21.7983 57.9481 19.0065 20.4153 -21.7995 20.4162 -10.5831 GPRESSURE: 3954600 -84.0671 -7.87805 -4.78907 92.3033 33.5698 28.127 -55.5983 -13.0401 -7.49594 PRESSAVG: 3954600 27.9619 -56.4889 3.0116 -56.489 18.1018 23.0561 3.01153 23.0561 -4.76758 GPRESSAVG: 3954600 29.414 -57.2604 0.80303 -55.7656 17.662 24.9798 3.10701 22.999 -5.52746 TIMING: 3954600 CPU: 11492.9, 0.00290786/step Wall: 11492.9, 0.00290786/step, 0.844411 hours remaining, 208.464844 MB of memory in use. ENERGY: 3954600 720.5793 2112.4255 1927.1033 103.2263 -205995.4131 17733.1409 0.0000 0.0000 34523.0585 -148875.8792 301.4985 -183398.9377 -148775.7163 299.2446 -51.3991 -19.3311 556973.2998 13.7654 13.8495 PRESSURE: 3954800 -323.724 108.089 -76.9254 108.089 116.939 56.932 -76.9266 56.9322 57.6972 GPRESSURE: 3954800 -310.821 123.73 -65.9142 103.966 189.332 158.957 -105.32 7.37783 69.3312 PRESSAVG: 3954800 -46.0898 -5.986 -13.1694 -5.98605 10.7813 -13.9273 -13.1694 -13.9273 41.5937 GPRESSAVG: 3954800 -45.8273 -5.05703 -14.2222 -8.46777 10.0265 -14.0752 -10.8572 -15.1644 42.4979 TIMING: 3954800 CPU: 11493.5, 0.002916/step Wall: 11493.5, 0.002916/step, 0.846611 hours remaining, 208.464844 MB of memory in use. ENERGY: 3954800 740.9987 2075.3537 1959.1698 104.3980 -205705.7340 17483.1915 0.0000 0.0000 34355.0743 -148987.5480 300.0314 -183342.6223 -148893.9444 299.6752 -49.6960 -17.3860 556513.7064 2.0951 2.2323 PRESSURE: 3955000 45.8581 -178.477 -195.167 -178.477 -23.2232 -27.7374 -195.166 -27.7372 -95.6903 GPRESSURE: 3955000 74.0859 -195.087 -166.542 -158.055 43.33 -83.5281 -194.272 -67.2409 -87.3682 PRESSAVG: 3955000 -78.4819 32.8094 -9.91478 32.8094 32.3352 20.57 -9.91485 20.57 54.8292 GPRESSAVG: 3955000 -79.6668 30.2097 -8.01527 37.0009 32.1477 22.1471 -12.7333 20.1394 56.2139 TIMING: 3955000 CPU: 11494, 0.00295047/step Wall: 11494, 0.00295047/step, 0.856457 hours remaining, 208.464844 MB of memory in use. ENERGY: 3955000 774.6399 2120.6024 1915.2532 105.3936 -205878.6465 17730.2449 0.0000 0.0000 34327.5812 -148904.9313 299.7913 -183232.5125 -148814.3395 299.4566 -24.3518 10.0159 557948.0067 2.8942 2.8983 PRESSURE: 3955200 -50.5925 -23.0013 -80.2697 -23.0022 -350.946 -134.439 -80.2691 -134.439 -38.7399 GPRESSURE: 3955200 -48.0363 -10.6012 -38.4154 -65.9422 -314.371 -127.071 -32.6803 -183.18 27.7694 PRESSAVG: 3955200 -28.528 24.5087 -31.1066 24.5086 61.3781 10.2344 -31.1066 10.2345 8.39247 GPRESSAVG: 3955200 -28.3182 27.0399 -32.6058 22.2016 61.2778 8.57169 -28.7999 11.4755 8.7573 TIMING: 3955200 CPU: 11494.6, 0.00294822/step Wall: 11494.6, 0.00294822/step, 0.85564 hours remaining, 208.464844 MB of memory in use. ENERGY: 3955200 757.8976 2147.8377 1957.0209 117.4389 -205909.0312 17574.0281 0.0000 0.0000 34397.5334 -148957.2747 300.4022 -183354.8081 -148862.4760 300.1750 -146.7595 -111.5461 557044.1984 13.7475 13.9056 PRESSURE: 3955400 72.0248 33.927 15.0975 33.9282 158.275 -70.7427 15.0973 -70.7438 225.825 GPRESSURE: 3955400 101.5 73.635 -57.193 -12.2395 223.683 -58.2244 19.9444 -50.8541 211.183 PRESSAVG: 3955400 -4.47854 -3.94511 58.0001 -3.94516 -33.4983 -34.1386 58.0001 -34.1385 -4.62327 GPRESSAVG: 3955400 -4.08419 -4.35285 57.5876 -6.06698 -33.1717 -35.0176 59.051 -34.4922 -5.30301 TIMING: 3955400 CPU: 11495.2, 0.00290335/step Wall: 11495.2, 0.00290335/step, 0.842456 hours remaining, 208.464844 MB of memory in use. ENERGY: 3955400 748.8741 2100.8395 1927.2680 95.4994 -206216.4437 17947.3072 0.0000 0.0000 34420.3939 -148976.2616 300.6019 -183396.6555 -148886.1483 299.6911 152.0418 178.7884 557561.5747 -14.2000 -14.1863 PRESSURE: 3955600 -31.1594 40.5318 173.814 40.533 -89.4534 32.9285 173.814 32.9298 24.2754 GPRESSURE: 3955600 -21.9663 132.267 126.368 -50.3969 -18.991 -16.7978 175.526 48.3853 27.7355 PRESSAVG: 3955600 10.0607 13.9584 53.0608 13.9583 -49.0067 37.9638 53.0607 37.9638 -5.4793 GPRESSAVG: 3955600 8.81894 12.7559 54.3847 14.7912 -47.7288 36.7814 51.3199 38.5047 -5.75581 TIMING: 3955600 CPU: 11495.8, 0.00293034/step Wall: 11495.8, 0.00293034/step, 0.850125 hours remaining, 208.464844 MB of memory in use. ENERGY: 3955600 748.8120 2112.8010 1947.0542 116.9935 -206022.4664 17854.3554 0.0000 0.0000 34297.2976 -148945.1527 299.5268 -183242.4503 -148845.9868 299.5802 -32.1125 -4.4072 558606.6083 -14.8084 -14.8885 PRESSURE: 3955800 -58.1527 -93.9128 30.254 -93.913 98.0622 -90.3376 30.254 -90.3366 -88.5493 GPRESSURE: 3955800 -41.6365 -133.033 88.4614 -126.982 146.722 -74.5482 -55.8692 -51.082 -37.0455 PRESSAVG: 3955800 39.249 29.5847 9.35868 29.5848 45.7533 49.8746 9.35874 49.8747 -140.661 GPRESSAVG: 3955800 40.8368 30.007 9.11669 27.75 44.8955 52.0084 10.8481 49.9409 -141.562 TIMING: 3955800 CPU: 11496.4, 0.00291565/step Wall: 11496.4, 0.00291565/step, 0.845701 hours remaining, 208.464844 MB of memory in use. ENERGY: 3955800 728.6937 2046.2074 1973.2816 102.4013 -205569.1415 17617.0260 0.0000 0.0000 34169.4023 -148932.1291 298.4099 -183101.5314 -148833.4018 299.7723 -16.2133 22.6799 557913.5402 -18.5530 -18.6097 PRESSURE: 3956000 244.987 -102.782 -58.1669 -102.782 -271.702 162.423 -58.1666 162.422 -186.067 GPRESSURE: 3956000 305.687 -151.908 -52.0903 -72.7319 -240.403 168.827 -38.8745 152.429 -181.437 PRESSAVG: 3956000 59.5559 -20.7327 22.6671 -20.7328 59.4119 35.621 22.6671 35.621 -104.731 GPRESSAVG: 3956000 58.6738 -20.9936 22.9316 -19.7973 59.9147 33.7761 22.4966 36.4789 -104.564 TIMING: 3956000 CPU: 11497, 0.0028875/step Wall: 11497, 0.0028875/step, 0.837375 hours remaining, 208.464844 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: 3956000 749.3843 2085.5955 1957.0083 119.2755 -206034.6626 17732.9937 0.0000 0.0000 34343.5379 -149046.8674 299.9307 -183390.4053 -148953.4353 299.6582 -70.9274 -38.7174 558352.0885 4.7457 4.6747 PRESSURE: 3956200 -97.01 -103.47 46.7626 -103.469 43.8968 -194.129 46.7632 -194.129 -53.6199 GPRESSURE: 3956200 -70.1534 -111.435 -8.0138 -111.317 36.906 -259.778 75.5871 -104.758 16.0224 PRESSAVG: 3956200 54.0756 -93.9472 24.986 -93.9472 24.544 14.8809 24.9861 14.8808 -79.8035 GPRESSAVG: 3956200 53.6271 -92.5518 25.5609 -94.3817 25.0006 16.6077 23.8522 14.0728 -79.6496 TIMING: 3956200 CPU: 11497.5, 0.00288212/step Wall: 11497.5, 0.00288212/step, 0.835654 hours remaining, 208.464844 MB of memory in use. ENERGY: 3956200 779.4443 2068.3891 1941.9911 106.4349 -205896.1073 17753.5540 0.0000 0.0000 34205.7906 -149040.5033 298.7277 -183246.2939 -148944.2276 299.6960 -35.5777 -5.7417 557276.2914 -0.3947 -0.3407 LDB: ============= START OF LOAD BALANCING ============== 11501 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11501 LDB: =============== DONE WITH MIGRATION ================ 11501 LDB: ============= START OF LOAD BALANCING ============== 11501.3 LDB: Largest compute 4820 load 0.027123 is 23.0% of average load 0.117829 LDB: Average compute 0.001738 is 1.5% of average load 0.117829 LDB: TIME 11501.3 LOAD: AVG 0.117829 MAX 0.18082 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 11501.3 LOAD: AVG 0.117829 MAX 0.18082 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: TIME 11501.3 LOAD: AVG 0.117829 MAX 0.18082 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11501.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11501.3 PRESSURE: 3956400 186.953 180.769 -58.8406 180.769 0.484327 -29.8771 -58.8402 -29.8778 -279.125 GPRESSURE: 3956400 183.055 184.232 -35.7614 179.569 30.7245 28.5664 -43.6173 -80.6834 -203.785 PRESSAVG: 3956400 66.0637 57.3866 -2.54523 57.3868 -24.6518 6.02783 -2.54521 6.0278 19.6248 GPRESSAVG: 3956400 66.3393 54.1403 -2.3512 61.0112 -24.8349 7.40482 -4.2295 6.07607 19.1717 TIMING: 3956400 CPU: 11498.1, 0.00295309/step Wall: 11498.1, 0.00295309/step, 0.856069 hours remaining, 208.636719 MB of memory in use. ENERGY: 3956400 743.5651 2016.9493 1975.2861 119.3795 -206221.3270 17815.0910 0.0000 0.0000 34338.7931 -149212.2629 299.8892 -183551.0560 -149117.9593 299.6702 -30.5628 3.3316 557967.7171 20.3456 20.2254 PRESSURE: 3956600 -157.273 135.104 -115.563 135.102 -5.39935 94.7535 -115.564 94.7551 -77.3508 GPRESSURE: 3956600 -129.015 108.23 -20.6804 141.562 48.3282 148.757 -168.081 107.914 -53.942 PRESSAVG: 3956600 -12.85 22.9417 -56.3941 22.9418 -11.1409 10.568 -56.3941 10.5682 3.77173 GPRESSAVG: 3956600 -11.7105 24.3085 -54.8032 21.7992 -11.8921 8.83557 -54.1298 10.1846 3.61251 TIMING: 3956600 CPU: 11498.7, 0.00290015/step Wall: 11498.7, 0.00290015/step, 0.84056 hours remaining, 208.839844 MB of memory in use. ENERGY: 3956600 802.4401 2114.3726 1951.8801 125.3786 -206052.7697 17736.7863 0.0000 0.0000 34124.4612 -149197.4509 298.0174 -183321.9121 -149104.6115 299.9390 -80.0076 -44.8762 557806.7613 -6.7397 -6.6634 PRESSURE: 3956800 -107.182 153.993 57.6448 153.993 126.635 76.8929 57.6448 76.8913 -131.91 GPRESSURE: 3956800 -73.3644 182.868 115.287 140.106 150.551 28.8193 31.2042 39.1055 -88.5604 PRESSAVG: 3956800 47.139 58.8379 -8.52395 58.8379 -28.674 23.8163 -8.52402 23.8163 38.5093 GPRESSAVG: 3956800 46.3205 60.2936 -9.28441 59.0268 -28.9889 25.2818 -9.14408 22.6884 39.311 TIMING: 3956800 CPU: 11499.3, 0.00290095/step Wall: 11499.3, 0.00290095/step, 0.840631 hours remaining, 208.839844 MB of memory in use. ENERGY: 3956800 753.8130 1989.9608 1972.7776 128.3544 -206319.4066 17759.9249 0.0000 0.0000 34514.4058 -149200.1701 301.4229 -183714.5759 -149108.2143 300.0179 -37.4855 -3.7912 556088.8056 18.9914 18.8809 PRESSURE: 3957000 -82.3228 151.443 -132.754 151.444 -155.636 197.293 -132.755 197.292 -254.998 GPRESSURE: 3957000 -67.5155 71.14 -138.58 89.1114 -133.48 220.605 -51.8331 122.047 -187.808 PRESSAVG: 3957000 -11.2927 -8.60393 -11.7046 -8.60384 34.9268 89.0224 -11.7046 89.0225 -33.9676 GPRESSAVG: 3957000 -11.0613 -10.1186 -12.7952 -9.59774 36.0177 88.01 -11.1352 89.5632 -35.1122 TIMING: 3957000 CPU: 11499.9, 0.00289724/step Wall: 11499.9, 0.00289724/step, 0.839394 hours remaining, 208.839844 MB of memory in use. ENERGY: 3957000 746.4361 2086.0361 1964.9736 120.1519 -205689.9765 17524.0936 0.0000 0.0000 34177.2594 -149071.0257 298.4785 -183248.2852 -148984.7627 299.6979 -164.3191 -129.6012 558271.3327 -3.4445 -3.3853 PRESSURE: 3957200 168.167 89.6622 -28.8598 89.6622 -149.089 44.0274 -28.8595 44.0269 -228.654 GPRESSURE: 3957200 161.758 52.0092 46.6634 116.513 -74.0854 -8.11585 -41.8742 67.4521 -215.131 PRESSAVG: 3957200 20.5153 31.6509 33.956 31.6509 12.2326 30.273 33.9559 30.273 -7.54917 GPRESSAVG: 3957200 20.9439 32.5606 32.2925 32.7206 12.6803 30.5386 35.9424 31.62 -8.58491 TIMING: 3957200 CPU: 11500.4, 0.00289979/step Wall: 11500.4, 0.00289979/step, 0.839971 hours remaining, 208.839844 MB of memory in use. ENERGY: 3957200 778.2338 2052.6186 1942.2778 101.7284 -206149.2406 17781.8935 0.0000 0.0000 34470.8364 -149021.6522 301.0424 -183492.4886 -148921.1796 299.8602 -69.8585 -42.4862 557684.1832 8.3996 8.3464 PRESSURE: 3957400 -187.111 28.8211 -27.1267 28.8214 94.1889 -143.106 -27.1272 -143.108 -9.26756 GPRESSURE: 3957400 -187.98 41.0789 6.72776 -35.3056 135.021 -151.21 -18.3379 -89.7588 66.0443 PRESSAVG: 3957400 -2.31321 15.2463 -2.47817 15.2462 22.642 9.69748 -2.47821 9.69753 -15.8276 GPRESSAVG: 3957400 -1.77466 15.0722 -0.11464 13.2962 21.3961 7.71546 -3.22974 10.266 -14.6512 TIMING: 3957400 CPU: 11501, 0.00290541/step Wall: 11501, 0.00290541/step, 0.841439 hours remaining, 208.839844 MB of memory in use. ENERGY: 3957400 766.1124 2139.6886 1931.3655 107.5511 -205714.7415 17687.8933 0.0000 0.0000 34031.7836 -149050.3469 297.2080 -183082.1305 -148956.0860 299.6253 -34.0631 4.3619 557674.6652 1.5004 1.6567 PRESSURE: 3957600 180.088 -38.5481 -67.1279 -38.5474 34.3501 23.3324 -67.1282 23.3326 146.876 GPRESSURE: 3957600 259.557 -66.5174 -135.309 -60.9949 38.7142 75.7651 -31.611 17.8897 155.834 PRESSAVG: 3957600 62.7662 51.8012 4.00523 51.8011 -35.6896 15.5657 4.00518 15.5657 10.283 GPRESSAVG: 3957600 62.1901 50.8746 1.2875 54.1157 -34.793 16.9844 5.12988 15.1167 10.2798 TIMING: 3957600 CPU: 11501.6, 0.00291123/step Wall: 11501.6, 0.00291123/step, 0.842963 hours remaining, 208.839844 MB of memory in use. ENERGY: 3957600 730.4839 2123.6665 1976.8570 106.2489 -206084.9533 17918.0986 0.0000 0.0000 34120.9129 -149108.6854 297.9864 -183229.5983 -149014.8433 300.0684 120.4381 151.3686 557517.2281 12.4532 12.5590 PRESSURE: 3957800 -189.578 -68.6324 22.2698 -68.6341 -223.365 -80.8601 22.2705 -80.8618 -275.415 GPRESSURE: 3957800 -174.695 -80.3236 -29.2752 26.566 -176.3 -86.0222 31.8544 -58.7709 -237.836 PRESSAVG: 3957800 -10.0627 8.49013 -32.0036 8.49011 -22.8686 -4.53749 -32.0036 -4.53748 -2.35983 GPRESSAVG: 3957800 -9.96322 9.64503 -31.3075 7.55581 -23.5475 -3.50344 -33.6268 -5.42053 -1.64254 TIMING: 3957800 CPU: 11502.2, 0.00289399/step Wall: 11502.2, 0.00289399/step, 0.837809 hours remaining, 208.839844 MB of memory in use. ENERGY: 3957800 787.4513 2099.0204 1955.8898 117.6110 -205659.8479 17394.2550 0.0000 0.0000 34312.4559 -148993.1644 299.6592 -183305.6203 -148892.0128 299.8527 -229.4527 -196.2769 558261.6906 -11.7637 -11.7177 PRESSURE: 3958000 274.503 -100.038 -104.596 -100.037 2.28398 -80.9317 -104.595 -80.9315 167.436 GPRESSURE: 3958000 285.206 -120.79 -92.988 -129.174 41.566 -121.59 -3.88035 -22.4287 215.723 PRESSAVG: 3958000 23.1388 -8.69383 -57.7837 -8.69393 -45.7022 -31.7662 -57.7836 -31.7662 30.6065 GPRESSAVG: 3958000 23.8094 -7.04818 -57.6136 -10.1825 -45.8099 -32.0056 -56.5776 -30.1562 30.0822 TIMING: 3958000 CPU: 11502.8, 0.0029173/step Wall: 11502.8, 0.0029173/step, 0.844397 hours remaining, 208.839844 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: 3958000 709.1482 2108.6617 1959.2070 101.0146 -206320.7889 17808.8144 0.0000 0.0000 34470.6559 -149163.2871 301.0408 -183633.9430 -149059.2516 299.9324 148.0743 180.8316 556625.1453 2.6810 2.6939 PRESSURE: 3958200 -79.9814 -25.8684 40.6707 -25.8698 144.733 -96.9566 40.6709 -96.9564 57.3611 GPRESSURE: 3958200 -23.7477 23.8881 17.0714 -30.1409 118.173 -148.919 27.0991 -117.183 134.018 PRESSAVG: 3958200 -29.1865 30.4839 12.9545 30.4839 4.61097 -20.4249 12.9545 -20.425 43.158 GPRESSAVG: 3958200 -30.1159 29.5324 12.5025 31.1723 5.01292 -21.8207 12.1543 -21.3278 44.0916 TIMING: 3958200 CPU: 11503.4, 0.00292084/step Wall: 11503.4, 0.00292083/step, 0.845257 hours remaining, 208.839844 MB of memory in use. ENERGY: 3958200 717.8906 2161.9404 1956.9713 106.9898 -206324.8524 17899.7466 0.0000 0.0000 34273.1643 -149208.1493 299.3161 -183481.3136 -149109.9372 299.8312 40.7041 76.1477 559028.7010 6.1942 6.3295 PRESSURE: 3958400 49.5909 5.08542 -142.496 5.08641 -229.432 -79.2305 -142.496 -79.2292 72.5686 GPRESSURE: 3958400 66.4651 -20.5099 -99.9491 24.4322 -227.474 -66.2488 -167.323 -90.0823 154.428 PRESSAVG: 3958400 2.79777 5.0261 7.73223 5.02604 -20.9434 -103.535 7.73227 -103.535 7.05813 GPRESSAVG: 3958400 3.51768 6.45848 11.8623 2.43335 -20.9778 -102.489 5.15256 -103.846 6.46613 TIMING: 3958400 CPU: 11503.9, 0.00291793/step Wall: 11503.9, 0.00291793/step, 0.844254 hours remaining, 208.839844 MB of memory in use. ENERGY: 3958400 764.7083 2091.4959 1939.5364 116.3383 -206178.0264 17843.1105 0.0000 0.0000 34339.3234 -149083.5137 299.8939 -183422.8371 -148986.4908 299.5444 -35.7575 -2.1937 558770.6283 -3.6958 -3.6647 PRESSURE: 3958600 -41.848 65.8606 87.1385 65.8615 -114.385 -19.5593 87.1377 -19.5607 44.366 GPRESSURE: 3958600 -0.706285 50.7984 88.8073 113.028 -78.6413 18.7352 149.085 1.97786 63.2404 PRESSAVG: 3958600 46.9599 -33.56 10.5042 -33.5601 -41.1031 52.5888 10.5041 52.5888 3.96818 GPRESSAVG: 3958600 46.526 -34.9012 5.28071 -32.137 -40.3859 54.3987 14.5777 53.1348 3.49517 TIMING: 3958600 CPU: 11504.5, 0.00293136/step Wall: 11504.5, 0.00293136/step, 0.847978 hours remaining, 209.042969 MB of memory in use. ENERGY: 3958600 757.8571 2161.0250 1961.2415 104.2656 -206212.5173 17730.4289 0.0000 0.0000 34237.3394 -149260.3599 299.0032 -183497.6993 -149159.7741 299.8006 -37.2889 -5.3691 558543.5551 3.2750 3.2117 PRESSURE: 3958800 -143.72 84.1461 -41.3898 84.1457 -300.735 -96.4925 -41.39 -96.4938 46.8689 GPRESSURE: 3958800 -80.0858 211.297 84.34 125.744 -281.33 -150.479 -153.169 -74.8963 40.8983 PRESSAVG: 3958800 -21.3091 1.94527 -18.7818 1.9452 1.23033 24.7665 -18.7817 24.7665 -40.3195 GPRESSAVG: 3958800 -20.7752 0.853045 -15.2349 4.11525 1.08431 21.3329 -22.1059 24.735 -40.4796 TIMING: 3958800 CPU: 11505.1, 0.00293256/step Wall: 11505.1, 0.00293256/step, 0.848161 hours remaining, 209.042969 MB of memory in use. ENERGY: 3958800 754.7836 2124.4019 1963.4296 127.5987 -206145.7376 17474.0623 0.0000 0.0000 34281.3436 -149420.1179 299.3875 -183701.4615 -149326.5972 299.1297 -132.5287 -106.8391 557759.6850 -20.1328 -20.0568 PRESSURE: 3959000 -154.34 62.91 -0.279085 62.9078 -305.126 92.9298 -0.279115 92.9283 -232.301 GPRESSURE: 3959000 -108.876 75.6231 5.20297 -31.0168 -267.146 20.3985 42.5701 35.4959 -210.953 PRESSAVG: 3959000 24.8552 -0.550766 -4.23769 -0.550733 -22.0736 -43.4475 -4.2377 -43.4474 -6.81477 GPRESSAVG: 3959000 25.3003 0.593358 -4.81214 -2.12622 -21.8346 -42.2527 -3.7775 -44.3684 -6.45754 TIMING: 3959000 CPU: 11505.7, 0.00292098/step Wall: 11505.7, 0.00292098/step, 0.84465 hours remaining, 209.042969 MB of memory in use. ENERGY: 3959000 728.1095 2082.5193 1929.9656 110.3284 -206267.9046 17563.5225 0.0000 0.0000 34390.9260 -149462.5332 300.3445 -183853.4593 -149361.9830 299.1301 -230.5891 -195.6580 558392.3443 -1.3444 -0.9973 PRESSURE: 3959200 108.57 164.695 97.4991 164.696 9.41907 -50.4815 97.4995 -50.4821 145.575 GPRESSURE: 3959200 195.428 153.603 76.0562 163.31 -24.8006 83.1267 119.8 -157.064 195.842 PRESSAVG: 3959200 60.4964 11.3298 16.1397 11.3299 -64.2653 -19.0972 16.1398 -19.0972 28.4471 GPRESSAVG: 3959200 59.2296 9.30129 14.4891 12.3872 -62.6328 -20.15 17.7784 -18.2413 28.4662 TIMING: 3959200 CPU: 11506.3, 0.00291755/step Wall: 11506.3, 0.00291755/step, 0.843495 hours remaining, 209.042969 MB of memory in use. ENERGY: 3959200 754.2840 2077.1520 1960.7576 110.4168 -206775.1184 18146.3390 0.0000 0.0000 34345.6180 -149380.5509 299.9488 -183726.1690 -149280.3347 298.7958 87.8546 122.1563 557217.6095 8.2261 8.3543 PRESSURE: 3959400 212.876 -66.5011 16.0547 -66.5013 186.779 -92.5886 16.0542 -92.5899 -295.076 GPRESSURE: 3959400 300.149 -111.074 1.70383 26.4172 211.666 -73.797 114.62 -146.382 -313.975 PRESSAVG: 3959400 46.4689 60.7084 48.5919 60.7084 -19.1216 -47.8186 48.592 -47.8187 -26.0213 GPRESSAVG: 3959400 47.547 63.7949 50.0631 60.0166 -20.9937 -47.2495 47.2584 -46.818 -25.2613 TIMING: 3959400 CPU: 11506.9, 0.00291666/step Wall: 11506.9, 0.00291666/step, 0.843078 hours remaining, 209.042969 MB of memory in use. ENERGY: 3959400 763.4134 2115.6621 1941.8852 109.6026 -206246.3217 17826.3310 0.0000 0.0000 34344.1175 -149145.3099 299.9357 -183489.4273 -149053.1470 299.2129 34.8596 65.9468 556033.2590 0.4420 0.4307 PRESSURE: 3959600 -394.729 93.8092 74.6383 93.809 -264.799 82.207 74.6383 82.2054 -147.478 GPRESSURE: 3959600 -374.155 66.8231 137.262 140.733 -218.54 135.857 105.639 64.9434 -122.084 PRESSAVG: 3959600 22.2116 57.9696 46.7232 57.9696 -28.2478 -37.8755 46.7232 -37.8756 -22.6785 GPRESSAVG: 3959600 22.353 57.554 47.3551 57.002 -28.3569 -37.9147 45.9655 -39.4814 -22.488 TIMING: 3959600 CPU: 11507.5, 0.00292387/step Wall: 11507.5, 0.00292387/step, 0.844997 hours remaining, 209.246094 MB of memory in use. ENERGY: 3959600 780.3501 2122.5455 1943.3913 124.0541 -205701.0670 17358.1213 0.0000 0.0000 34344.6714 -149027.9332 299.9406 -183372.6047 -148940.2013 299.0362 -269.0020 -238.2596 556901.5410 -9.5716 -9.4973 PRESSURE: 3959800 -274.607 -208.175 -8.91625 -208.177 -62.2383 17.953 -8.91723 17.9529 -78.9345 GPRESSURE: 3959800 -275.216 -186.279 25.8379 -123.764 -0.151111 76.4529 -59.2759 -20.2724 -31.0525 PRESSAVG: 3959800 -2.90514 -12.5709 -25.8869 -12.571 27.7961 12.0321 -25.887 12.0321 -78.7319 GPRESSAVG: 3959800 -2.49251 -13.6568 -28.0906 -10.6535 27.3962 15.6802 -26.228 10.0549 -78.9099 TIMING: 3959800 CPU: 11508, 0.00292182/step Wall: 11508, 0.00292182/step, 0.844245 hours remaining, 209.246094 MB of memory in use. ENERGY: 3959800 725.1322 2099.9395 1914.6555 115.9225 -205666.5569 17579.2758 0.0000 0.0000 34232.5048 -148999.1265 298.9610 -183231.6313 -148904.8963 299.5809 -138.5934 -102.1398 558955.1635 -17.9470 -18.0021 PRESSURE: 3960000 10.131 -18.8833 125.656 -18.8812 -1.54763 -89.0898 125.656 -89.089 174.472 GPRESSURE: 3960000 -35.223 -42.3092 158.331 55.2956 101.548 -80.4994 116.5 -95.9452 212.779 PRESSAVG: 3960000 -8.29648 41.6268 15.7769 41.6268 36.5157 25.7906 15.7768 25.7905 -42.2749 GPRESSAVG: 3960000 -8.3402 41.9859 17.4733 41.1117 38.0789 21.3189 17.7389 27.3267 -43.3222 TIMING: 3960000 CPU: 11508.6, 0.0029166/step Wall: 11508.6, 0.0029166/step, 0.842573 hours remaining, 209.246094 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: 3960000 726.9879 2134.2873 1938.2125 113.8050 -205879.6481 17699.7543 0.0000 0.0000 34198.7256 -149067.8754 298.6660 -183266.6010 -148973.8506 299.2322 61.0185 93.0346 558294.6799 -4.6852 -4.5279 PRESSURE: 3960200 -164.635 8.54532 -72.361 8.54557 165.719 -197.805 -72.3611 -197.805 28.4176 GPRESSURE: 3960200 -108.103 -110.704 -34.0177 70.8674 139.876 -175.45 -146.2 -221.028 79.1832 PRESSAVG: 3960200 45.9731 26.2845 16.0527 26.2845 -29.8981 31.7344 16.0527 31.7345 -51.2257 GPRESSAVG: 3960200 46.9318 24.8969 16.2346 26.2647 -31.0838 30.924 15.2705 30.6464 -50.5773 TIMING: 3960200 CPU: 11509.2, 0.00290151/step Wall: 11509.2, 0.00290151/step, 0.838054 hours remaining, 209.246094 MB of memory in use. ENERGY: 3960200 730.2295 2020.2654 1947.4590 94.0176 -205955.8752 17841.6625 0.0000 0.0000 34197.0431 -149125.1981 298.6513 -183322.2413 -149029.8617 299.3394 9.8339 36.9853 559094.3962 -11.7169 -11.5764 LDB: ============= START OF LOAD BALANCING ============== 11512.7 LDB: ============== END OF LOAD BALANCING =============== 11512.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11512.7 LDB: ============= START OF LOAD BALANCING ============== 11513 LDB: Largest compute 4848 load 0.030291 is 25.7% of average load 0.117718 LDB: Average compute 0.001748 is 1.5% of average load 0.117718 LDB: TIME 11513 LOAD: AVG 0.117718 MAX 0.18185 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.117 MB LDB: TIME 11513 LOAD: AVG 0.117718 MAX 0.18185 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: TIME 11513 LOAD: AVG 0.117718 MAX 0.18185 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11513 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11513 PRESSURE: 3960400 287.153 202.321 161.041 202.32 -45.0174 48.7296 161.042 48.7316 81.9655 GPRESSURE: 3960400 354.571 267.104 187.178 86.9978 -59.8803 35.7679 91.5363 3.10207 137.714 PRESSAVG: 3960400 34.8914 41.392 31.4303 41.3919 -8.37916 -16.9151 31.4303 -16.9149 52.0699 GPRESSAVG: 3960400 35.3053 41.4799 30.5094 41.1068 -7.73889 -14.2773 32.3464 -16.8848 51.0997 TIMING: 3960400 CPU: 11509.8, 0.00299541/step Wall: 11509.8, 0.00299541/step, 0.865006 hours remaining, 207.097656 MB of memory in use. ENERGY: 3960400 762.8221 2102.1779 1941.4469 125.1122 -206173.0815 18055.0064 0.0000 0.0000 34180.2776 -149006.2383 298.5049 -183186.5159 -148906.8013 299.0874 108.0337 144.1351 558268.3651 26.1940 26.2220 PRESSURE: 3960600 -84.1727 28.7126 -62.6706 28.712 113.357 71.6765 -62.6689 71.6765 395.244 GPRESSURE: 3960600 -32.3421 -30.5868 -56.8165 36.6423 156.331 13.7519 -56.5004 65.6976 390.324 PRESSAVG: 3960600 7.97514 -16.3764 -40.2108 -16.3764 -1.20342 10.3246 -40.2108 10.3248 9.85697 GPRESSAVG: 3960600 6.82842 -17.5772 -42.0412 -15.3136 -0.782167 9.13159 -39.1924 12.9782 10.7314 TIMING: 3960600 CPU: 11510.4, 0.00292285/step Wall: 11510.4, 0.00292285/step, 0.843891 hours remaining, 207.300781 MB of memory in use. ENERGY: 3960600 716.1298 2046.6173 1968.5274 113.2430 -206147.4530 18025.3535 0.0000 0.0000 34066.6709 -149210.9112 297.5127 -183277.5821 -149113.6565 299.4858 141.4761 171.4376 557032.0731 5.5429 5.5926 PRESSURE: 3960800 171.635 135.862 10.9791 135.862 160.186 -6.90639 10.9779 -6.90504 110.046 GPRESSURE: 3960800 180.774 117.449 9.52823 164.555 171.394 -89.1377 -95.2591 -55.5142 179.309 PRESSAVG: 3960800 1.33265 48.3568 -40.0794 48.3568 -83.989 25.7864 -40.0794 25.7865 71.3507 GPRESSAVG: 3960800 1.08298 51.0242 -38.7246 46.8611 -84.1703 24.9661 -41.0715 23.8855 71.9686 TIMING: 3960800 CPU: 11511, 0.00292526/step Wall: 11511, 0.00292527/step, 0.844427 hours remaining, 207.300781 MB of memory in use. ENERGY: 3960800 777.0329 2115.7388 1967.0174 109.1389 -206746.1518 18045.6358 0.0000 0.0000 34432.0703 -149299.5176 300.7038 -183731.5879 -149205.0230 299.0360 147.2888 177.1589 556325.4445 -3.7686 -3.7062 PRESSURE: 3961000 49.5669 99.9112 126.534 99.9119 89.1417 -107.573 126.534 -107.574 -269.973 GPRESSURE: 3961000 66.0755 124.959 19.164 162.359 95.4815 -116.692 175.987 -85.4077 -181.393 PRESSAVG: 3961000 49.1875 69.5532 42.529 69.5531 -13.0166 -2.26723 42.5291 -2.26727 -52.3059 GPRESSAVG: 3961000 49.1549 68.7451 43.2794 69.1705 -12.9889 -1.50138 43.2449 -1.77183 -52.1583 TIMING: 3961000 CPU: 11511.6, 0.00291177/step Wall: 11511.6, 0.00291177/step, 0.840368 hours remaining, 207.300781 MB of memory in use. ENERGY: 3961000 725.9943 2059.8354 1977.7294 113.6785 -206472.1456 17931.7422 0.0000 0.0000 34338.2986 -149324.8671 299.8849 -183663.1657 -149224.6183 299.4086 -43.7549 -6.6118 557054.2942 -5.3783 -5.3308 PRESSURE: 3961200 107.466 97.9885 -109.72 97.989 195.748 -38.9831 -109.72 -38.9826 107.739 GPRESSURE: 3961200 168.949 115.775 -146.745 100.913 213.995 17.336 -118.042 -92.5444 127.626 PRESSAVG: 3961200 30.5604 26.873 4.83995 26.8731 -23.6033 29.9492 4.83991 29.9492 -2.91513 GPRESSAVG: 3961200 31.3344 27.2755 3.52824 27.1426 -23.6257 29.7228 4.37822 30.8402 -3.85734 TIMING: 3961200 CPU: 11512.1, 0.00290169/step Wall: 11512.1, 0.00290169/step, 0.8373 hours remaining, 207.300781 MB of memory in use. ENERGY: 3961200 775.3472 2132.7449 1941.2483 113.6809 -206318.5443 17897.9736 0.0000 0.0000 34253.2673 -149204.2823 299.1423 -183457.5495 -149110.5915 299.5005 136.9845 170.1901 556544.7407 1.3473 1.2838 PRESSURE: 3961400 -325.796 -65.756 -19.9606 -65.7568 -80.3337 -89.9348 -19.9612 -89.9335 -29.8772 GPRESSURE: 3961400 -272.527 -67.7835 -15.5224 -7.23514 -87.8943 -122.767 -9.86633 -99.368 0.719385 PRESSAVG: 3961400 -1.62443 -35.433 13.3854 -35.433 80.0726 1.71268 13.3855 1.7127 -71.6906 GPRESSAVG: 3961400 -0.698081 -36.6037 12.9949 -35.4615 78.955 0.548392 11.7731 3.82048 -71.88 TIMING: 3961400 CPU: 11512.7, 0.00290134/step Wall: 11512.7, 0.00290134/step, 0.837036 hours remaining, 207.300781 MB of memory in use. ENERGY: 3961400 760.7558 2085.5143 1973.8529 118.3040 -206428.6291 17730.7657 0.0000 0.0000 34392.8986 -149366.5378 300.3617 -183759.4364 -149261.5972 299.0235 -145.3355 -119.9006 557751.6320 2.2525 2.1256 PRESSURE: 3961600 82.982 -14.0739 46.7631 -14.0729 -151.143 -104.749 46.7636 -104.748 246.063 GPRESSURE: 3961600 115.224 38.4918 17.3218 -85.486 -91.3234 -120.496 17.1835 -24.5024 256.495 PRESSAVG: 3961600 14.4376 -45.2045 -24.4322 -45.2045 27.5037 -18.6952 -24.4322 -18.695 -50.2365 GPRESSAVG: 3961600 13.7452 -44.4077 -22.4217 -44.1806 27.6339 -18.3748 -23.5639 -22.4129 -49.4475 TIMING: 3961600 CPU: 11513.3, 0.00289937/step Wall: 11513.3, 0.00289937/step, 0.836306 hours remaining, 207.300781 MB of memory in use. ENERGY: 3961600 749.9872 2084.1539 1971.5086 106.3759 -206575.8258 17941.5250 0.0000 0.0000 34406.1318 -149316.1435 300.4773 -183722.2753 -149215.4377 299.5214 59.3006 93.4653 555493.0955 -2.7651 -2.6895 PRESSURE: 3961800 56.1827 -21.3262 163.908 -21.3262 -4.1531 -49.7647 163.909 -49.7653 88.6679 GPRESSURE: 3961800 58.2295 -0.555005 193.859 -131.778 72.6773 -98.2678 159.65 -19.3276 105.549 PRESSAVG: 3961800 1.81797 -49.4448 67.7884 -49.4448 -19.9168 -2.88845 67.7885 -2.88842 46.8579 GPRESSAVG: 3961800 2.32133 -47.9096 67.0275 -51.8783 -19.9483 -2.82798 68.6451 1.14277 46.494 TIMING: 3961800 CPU: 11513.9, 0.0029028/step Wall: 11513.9, 0.0029028/step, 0.837136 hours remaining, 207.300781 MB of memory in use. ENERGY: 3961800 758.5477 2115.5092 2009.6407 119.4575 -206055.2325 17667.8894 0.0000 0.0000 34063.6217 -149320.5664 297.4861 -183384.1881 -149231.7127 299.8687 46.8992 78.8185 555183.1688 9.5864 9.6224 PRESSURE: 3962000 -83.9055 -59.4956 64.8978 -59.495 -282.035 40.4039 64.8969 40.4048 -265.712 GPRESSURE: 3962000 -93.661 -118.678 113.392 -20.6012 -263.675 10.7104 41.6803 86.4476 -172.448 PRESSAVG: 3962000 77.3211 9.03121 23.3294 9.03115 22.0397 31.9897 23.3294 31.9897 -98.3986 GPRESSAVG: 3962000 75.2146 7.39848 21.2338 12.3897 23.4508 32.1036 22.1754 28.3371 -97.641 TIMING: 3962000 CPU: 11514.5, 0.0029033/step Wall: 11514.5, 0.0029033/step, 0.837119 hours remaining, 207.562500 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: 3962000 795.3089 2076.7577 1962.7223 114.7219 -205982.0247 17439.8675 0.0000 0.0000 34184.7839 -149407.8626 298.5442 -183592.6464 -149312.0513 298.9023 -210.5506 -176.5947 556694.6742 0.3207 0.3414 PRESSURE: 3962200 -94.2258 39.7798 -53.7721 39.7796 -362.596 -145.289 -53.7732 -145.288 -340.6 GPRESSURE: 3962200 -91.7185 51.0146 -35.9151 -30.4637 -315.231 -127.066 15.2464 -199.476 -291.645 PRESSAVG: 3962200 -35.0024 55.5645 -12.1932 55.5645 9.81691 13.304 -12.1932 13.3041 84.8067 GPRESSAVG: 3962200 -33.1495 55.9661 -9.66023 52.609 8.92777 14.9193 -11.9466 13.7221 83.6793 TIMING: 3962200 CPU: 11515, 0.00291767/step Wall: 11515, 0.00291767/step, 0.841101 hours remaining, 207.562500 MB of memory in use. ENERGY: 3962200 745.5118 2052.9064 1989.0708 108.1394 -206072.2798 17539.2196 0.0000 0.0000 34204.6205 -149432.8113 298.7175 -183637.4318 -149331.6110 298.5597 -265.8074 -232.8649 557186.5536 19.8737 19.8192 PRESSURE: 3962400 -204.597 71.9698 -124.722 71.9703 -86.6743 -196.173 -124.722 -196.175 -229.845 GPRESSURE: 3962400 -166.81 117.44 -99.7792 87.6976 -68.6614 -190.515 -121.406 -218.264 -183.749 PRESSAVG: 3962400 43.9545 44.6077 -36.0081 44.6077 -13.3805 -12.2994 -36.0081 -12.2994 -31.9331 GPRESSAVG: 3962400 44.1012 45.6694 -35.5254 44.7769 -13.9078 -12.1178 -37.8143 -12.3773 -31.3661 TIMING: 3962400 CPU: 11515.6, 0.00292944/step Wall: 11515.6, 0.00292944/step, 0.844331 hours remaining, 207.562500 MB of memory in use. ENERGY: 3962400 747.8941 2086.1977 1975.9679 128.4224 -205968.2519 17507.6653 0.0000 0.0000 34049.5904 -149472.5142 297.3635 -183522.1046 -149375.8581 298.6176 -173.7053 -139.7403 557863.0994 -0.4530 -0.3909 PRESSURE: 3962600 29.3199 129.977 213.302 129.977 -117.096 122.045 213.302 122.044 -15.9766 GPRESSURE: 3962600 10.3553 93.998 100.011 149.008 -39.3572 -22.2564 210.004 155.205 8.9953 PRESSAVG: 3962600 -17.5924 46.1468 22.8405 46.1467 1.82734 -27.4637 22.8405 -27.4636 -9.63816 GPRESSAVG: 3962600 -18.7157 47.3652 21.1397 45.1471 3.01518 -28.3364 23.4123 -27.9918 -10.1666 TIMING: 3962600 CPU: 11516.2, 0.00291754/step Wall: 11516.2, 0.00291754/step, 0.840738 hours remaining, 207.562500 MB of memory in use. ENERGY: 3962600 752.0309 2179.2359 1933.2879 101.9505 -206175.9972 17834.5925 0.0000 0.0000 34123.3879 -149251.5116 298.0080 -183374.8996 -149162.1149 298.2759 -34.5842 -6.6689 558556.9774 -8.4677 -8.6224 PRESSURE: 3962800 219.817 66.8428 84.1983 66.8448 98.6713 -114.512 84.1986 -114.511 3.34668 GPRESSURE: 3962800 257.044 18.1593 8.67222 132.357 156.877 -105.873 66.3779 -123.702 7.90623 PRESSAVG: 3962800 -19.8225 36.6543 -2.95709 36.6544 29.9493 -11.6274 -2.9571 -11.6273 -28.7832 GPRESSAVG: 3962800 -20.0959 33.6235 -3.57795 37.6833 29.561 -10.2885 -2.95925 -10.9507 -28.5872 TIMING: 3962800 CPU: 11516.8, 0.00291962/step Wall: 11516.8, 0.00291962/step, 0.841176 hours remaining, 207.562500 MB of memory in use. ENERGY: 3962800 756.9801 2105.6979 1940.5371 120.5963 -206448.2126 17921.0379 0.0000 0.0000 34471.3552 -149132.0081 301.0469 -183603.3633 -149028.9007 299.6131 107.2783 140.6089 556973.3638 -6.2188 -6.3740 PRESSURE: 3963000 -362.955 184.747 -1.01962 184.748 -143.201 -84.2651 -1.02111 -84.2643 -201.294 GPRESSURE: 3963000 -352.161 182.951 49.0148 154.538 -95.289 -163.564 -81.9737 -89.3546 -150.356 PRESSAVG: 3963000 45.4075 60.2982 2.125 60.2983 27.2829 -82.3841 2.125 -82.384 -36.6097 GPRESSAVG: 3963000 45.8293 61.0184 3.82024 62.3708 27.6221 -83.8611 1.96263 -82.2698 -38.0013 TIMING: 3963000 CPU: 11517.4, 0.00291855/step Wall: 11517.4, 0.00291855/step, 0.840706 hours remaining, 207.562500 MB of memory in use. ENERGY: 3963000 772.3823 2108.5449 1943.0327 108.2638 -205733.6201 17323.5278 0.0000 0.0000 34326.1331 -149151.7355 299.7787 -183477.8686 -149059.8178 300.4039 -235.8168 -199.2687 557166.9619 12.0269 11.8167 PRESSURE: 3963200 -103.797 103.242 10.1479 103.243 95.5677 160.219 10.1475 160.218 260.2 GPRESSURE: 3963200 -42.1328 29.5094 39.1986 111.493 89.8168 89.0105 5.46626 184.944 304.512 PRESSAVG: 3963200 -38.0113 54.3072 24.7122 54.3072 21.0437 7.17897 24.7122 7.17897 -5.97497 GPRESSAVG: 3963200 -38.1927 51.3944 23.7015 55.8137 20.75 8.04107 25.377 8.09703 -5.47336 TIMING: 3963200 CPU: 11518, 0.0029265/step Wall: 11518, 0.0029265/step, 0.842831 hours remaining, 207.562500 MB of memory in use. ENERGY: 3963200 731.0025 2122.9290 1953.2466 119.0948 -206430.4736 18073.4957 0.0000 0.0000 34323.4926 -149107.2124 299.7556 -183430.7050 -148999.7947 299.5972 83.9903 117.3988 558193.3886 -7.6475 -7.6387 PRESSURE: 3963400 -108.882 -30.8212 96.891 -30.8216 -21.7096 -157.502 96.8906 -157.503 30.3119 GPRESSURE: 3963400 -23.5656 -57.3055 82.0088 -52.3069 -23.8859 -151.557 120.636 -153.457 44.6479 PRESSAVG: 3963400 -64.0977 -23.8975 31.4295 -23.8976 12.4392 -11.9278 31.4294 -11.9279 65.4015 GPRESSAVG: 3963400 -64.7648 -20.3831 30.2794 -26.7438 12.3605 -12.513 33.0506 -11.2035 66.0536 TIMING: 3963400 CPU: 11518.5, 0.00292069/step Wall: 11518.5, 0.00292069/step, 0.840996 hours remaining, 207.562500 MB of memory in use. ENERGY: 3963400 772.7043 2033.2815 1941.5773 113.2411 -206232.2051 17765.7838 0.0000 0.0000 34518.5932 -149087.0239 301.4595 -183605.6171 -148989.6477 299.6355 -33.4265 -0.9345 558575.4712 4.5810 4.5497 PRESSURE: 3963600 -384.875 22.2114 -91.0712 22.2128 -6.99972 83.6257 -91.0723 83.626 -50.4291 GPRESSURE: 3963600 -302.056 75.6703 -123.061 0.600946 2.58112 71.777 -103.148 110.213 -44.067 PRESSAVG: 3963600 -81.2876 -9.13559 -1.63263 -9.13564 62.5719 16.7943 -1.6326 16.7942 77.3754 GPRESSAVG: 3963600 -80.8799 -10.2184 -1.09833 -6.57667 62.087 16.5115 -3.24932 15.0615 77.391 TIMING: 3963600 CPU: 11519.1, 0.00289097/step Wall: 11519.1, 0.00289097/step, 0.832277 hours remaining, 207.628906 MB of memory in use. ENERGY: 3963600 754.3258 2109.8095 1961.1269 111.9239 -205781.9838 17468.8064 0.0000 0.0000 34232.9655 -149143.0258 298.9650 -183375.9914 -149041.6486 298.8540 -147.4347 -114.5141 557625.7052 19.5532 19.5327 PRESSURE: 3963800 -141.035 87.2615 22.7039 87.2624 -164.276 -166.267 22.7044 -166.267 100.16 GPRESSURE: 3963800 -29.9113 31.8208 80.0633 83.0549 -154.619 -55.7426 -38.6962 -208.682 70.5891 PRESSAVG: 3963800 1.03919 -4.50228 33.2262 -4.50222 2.37216 -30.9714 33.2262 -30.9714 4.55853 GPRESSAVG: 3963800 1.37678 -5.50076 34.5644 -4.84566 2.73201 -31.9522 31.9484 -30.3177 3.7381 TIMING: 3963800 CPU: 11519.7, 0.00288746/step Wall: 11519.7, 0.00288746/step, 0.831108 hours remaining, 207.628906 MB of memory in use. ENERGY: 3963800 764.7788 2150.1900 1946.2422 106.9410 -205971.1467 17775.5997 0.0000 0.0000 34216.5121 -149010.8828 298.8213 -183227.3949 -148916.1919 299.7176 -68.3835 -37.9804 558336.1867 2.6566 2.6156 PRESSURE: 3964000 -22.4618 42.5187 67.3317 42.518 155.41 -122.854 67.3323 -122.852 274.257 GPRESSURE: 3964000 30.9453 51.2204 106.755 16.2087 150.701 -37.7351 69.3673 -187.96 317.027 PRESSAVG: 3964000 14.2222 8.49493 -37.7259 8.49498 -52.2342 -50.0392 -37.7259 -50.0392 25.0484 GPRESSAVG: 3964000 13.188 10.6708 -39.3875 6.60939 -52.6647 -47.5578 -36.0139 -51.3999 26.6792 TIMING: 3964000 CPU: 11520.3, 0.00290627/step Wall: 11520.3, 0.00290627/step, 0.836359 hours remaining, 207.628906 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: 3964000 725.3359 2117.3439 1954.1107 116.4936 -206135.0956 17919.9552 0.0000 0.0000 34368.0868 -148933.7695 300.1451 -183301.8563 -148843.2904 300.4050 135.7351 166.2245 558254.5411 -4.3212 -4.2659 PRESSURE: 3964200 -85.3061 67.6174 -58.1374 67.6172 112.137 2.8898 -58.1373 2.88891 25.9155 GPRESSURE: 3964200 -66.3292 73.4633 -137.276 55.9384 177.329 -60.8822 -33.5106 10.1952 35.845 PRESSAVG: 3964200 -22.4513 0.65232 2.37489 0.652236 68.9391 -5.11229 2.3749 -5.11232 -31.4401 GPRESSAVG: 3964200 -21.4993 -0.639935 1.9926 1.30492 69.4393 -6.25261 2.30529 -4.26761 -33.3183 TIMING: 3964200 CPU: 11520.9, 0.00290642/step Wall: 11520.9, 0.00290642/step, 0.836241 hours remaining, 207.628906 MB of memory in use. ENERGY: 3964200 746.3868 2147.8111 1945.9813 130.7127 -206335.4465 17808.6249 0.0000 0.0000 34493.2631 -149062.6666 301.2382 -183555.9297 -148969.8310 300.0139 17.5820 48.9484 556405.0843 5.0159 4.8739 LDB: ============= START OF LOAD BALANCING ============== 11524.3 LDB: ============== END OF LOAD BALANCING =============== 11524.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11524.3 LDB: ============= START OF LOAD BALANCING ============== 11524.6 LDB: Largest compute 4848 load 0.028369 is 24.1% of average load 0.117699 LDB: Average compute 0.001740 is 1.5% of average load 0.117699 LDB: TIME 11524.6 LOAD: AVG 0.117699 MAX 0.181402 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 11524.6 LOAD: AVG 0.117699 MAX 0.181402 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: TIME 11524.6 LOAD: AVG 0.117699 MAX 0.181402 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: ============== END OF LOAD BALANCING =============== 11524.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11524.6 PRESSURE: 3964400 32.3274 -21.7051 64.1063 -21.7053 -101.912 80.2161 64.1052 80.2149 -485.761 GPRESSURE: 3964400 25.9209 -61.8016 123.269 25.9483 -109.782 86.26 46.0416 41.4805 -367.569 PRESSAVG: 3964400 17.7405 14.0321 18.3794 14.0321 -11.3303 -0.971438 18.3794 -0.971493 -29.9102 GPRESSAVG: 3964400 16.4345 15.7028 18.5737 12.9169 -10.6154 0.780573 18.6133 -1.10235 -29.294 TIMING: 3964400 CPU: 11521.5, 0.00295336/step Wall: 11521.5, 0.00295336/step, 0.849582 hours remaining, 207.539062 MB of memory in use. ENERGY: 3964400 762.5159 2094.2888 1944.8766 118.7549 -205817.3447 17540.5149 0.0000 0.0000 34460.9492 -148895.4445 300.9560 -183356.3937 -148798.1839 299.9995 -185.1153 -150.4767 558764.1693 -7.8333 -7.8249 PRESSURE: 3964600 -26.7296 -81.6274 60.9355 -81.627 -230.425 -72.7694 60.936 -72.7707 -272.887 GPRESSURE: 3964600 -62.7557 -18.8178 -7.73598 -179.474 -149.947 -40.2018 -23.2479 -132.331 -217.999 PRESSAVG: 3964600 35.2712 -41.8256 4.73804 -41.8256 39.5841 -35.023 4.73812 -35.023 -43.9654 GPRESSAVG: 3964600 36.0382 -41.5559 4.02655 -42.2941 39.1556 -36.1886 6.04661 -35.5882 -44.266 TIMING: 3964600 CPU: 11522, 0.00289391/step Wall: 11522, 0.00289391/step, 0.83232 hours remaining, 207.539062 MB of memory in use. ENERGY: 3964600 719.9265 2139.3867 1947.7961 123.3620 -205885.6939 17563.0932 0.0000 0.0000 34353.3014 -149038.8281 300.0159 -183392.1295 -148935.2827 299.5315 -176.6807 -143.5673 559218.7052 10.2966 10.3093 PRESSURE: 3964800 216.876 -128.522 136.375 -128.522 200.041 -83.3999 136.375 -83.3998 -18.6846 GPRESSURE: 3964800 260.518 -107.924 67.8947 -122.973 220.221 -147.374 218.002 0.38886 19.1352 PRESSAVG: 3964800 -25.7989 -13.6875 -36.3335 -13.6875 -6.14217 17.8781 -36.3335 17.878 10.9523 GPRESSAVG: 3964800 -25.986 -15.2508 -35.2068 -13.746 -4.98241 17.433 -38.4473 19.4409 10.7019 TIMING: 3964800 CPU: 11522.6, 0.0029234/step Wall: 11522.6, 0.0029234/step, 0.84064 hours remaining, 207.539062 MB of memory in use. ENERGY: 3964800 763.8271 2056.8979 1942.4120 118.9707 -206333.7562 18049.4305 0.0000 0.0000 34276.7410 -149125.4771 299.3473 -183402.2181 -149021.4976 299.8208 132.7440 166.6247 557934.8920 -6.9963 -6.7555 PRESSURE: 3965000 -235.138 -3.46942 -60.942 -3.46946 218.915 -20.7306 -60.9421 -20.7315 -296.506 GPRESSURE: 3965000 -215.415 10.6463 -101.344 25.8591 236.362 4.59765 -47.9598 -87.962 -259.429 PRESSAVG: 3965000 -32.916 -10.1363 -40.0041 -10.1363 -15.6023 -33.9834 -40.0041 -33.9834 27.6674 GPRESSAVG: 3965000 -33.3101 -9.86931 -40.5418 -7.81677 -16.1729 -34.5755 -38.9123 -34.4018 28.3296 TIMING: 3965000 CPU: 11523.2, 0.00289645/step Wall: 11523.2, 0.00289645/step, 0.83273 hours remaining, 207.539062 MB of memory in use. ENERGY: 3965000 733.2175 2120.0984 1933.8215 86.6005 -206079.6231 17891.4267 0.0000 0.0000 34330.2307 -148984.2279 299.8144 -183314.4585 -148882.2513 299.0894 -104.2433 -79.4941 558710.5360 -6.9503 -7.0511 PRESSURE: 3965200 34.662 21.4427 -49.1435 21.4432 -80.5448 -76.6975 -49.1438 -76.6971 -89.3501 GPRESSURE: 3965200 75.5429 65.602 -25.2569 0.155407 -39.397 -40.6231 -42.3923 -74.7713 -66.3238 PRESSAVG: 3965200 14.9533 -54.1221 -40.2494 -54.122 30.5757 -58.8348 -40.2493 -58.8349 13.5556 GPRESSAVG: 3965200 15.2781 -52.7283 -39.5133 -56.9297 31.7762 -59.6282 -40.453 -59.5357 12.0241 TIMING: 3965200 CPU: 11523.8, 0.00290047/step Wall: 11523.8, 0.00290047/step, 0.833723 hours remaining, 207.539062 MB of memory in use. ENERGY: 3965200 730.1736 2126.7444 1944.2973 109.8057 -206344.3198 17874.4326 0.0000 0.0000 34455.0232 -149103.8431 300.9043 -183558.8662 -149006.7789 300.2072 -45.0777 -10.0593 558524.0830 19.6949 19.6928 PRESSURE: 3965400 146.854 -207.951 -224.617 -207.95 110.555 55.4638 -224.618 55.4644 -114.73 GPRESSURE: 3965400 233.842 -223.791 -182.087 -133.231 110.128 -115.308 -223.31 123.673 -99.7115 PRESSAVG: 3965400 85.2691 -20.1237 -14.7795 -20.1238 -42.1511 -28.9153 -14.7795 -28.9153 -18.9353 GPRESSAVG: 3965400 86.3608 -20.9192 -13.1654 -20.5083 -43.4983 -26.5076 -14.7895 -30.2589 -18.5318 TIMING: 3965400 CPU: 11524.4, 0.00289964/step Wall: 11524.4, 0.00289964/step, 0.833325 hours remaining, 207.539062 MB of memory in use. ENERGY: 3965400 778.3322 2122.7045 1932.8485 94.8565 -205929.1467 17761.4221 0.0000 0.0000 34346.1846 -148892.7984 299.9538 -183238.9831 -148795.9821 300.6260 47.5594 81.4195 557694.0439 8.0609 8.1102 PRESSURE: 3965600 204.366 84.9762 203.264 84.976 257.174 144.306 203.264 144.306 70.4062 GPRESSURE: 3965600 184.265 38.9186 116.813 92.5144 254.839 75.887 256.615 111.283 175.328 PRESSAVG: 3965600 45.2262 2.63473 -46.0101 2.63479 -25.5644 -0.0131963 -46.0102 -0.0131701 3.82129 GPRESSAVG: 3965600 43.6305 2.93719 -48.5519 4.82218 -25.8165 -1.57881 -46.0666 2.01097 5.26343 TIMING: 3965600 CPU: 11524.9, 0.00291711/step Wall: 11524.9, 0.00291711/step, 0.838182 hours remaining, 207.539062 MB of memory in use. ENERGY: 3965600 729.8374 2125.7542 1974.0713 110.0677 -206174.1637 18000.3582 0.0000 0.0000 34200.7300 -149033.3448 298.6835 -183234.0748 -148945.1790 299.4217 177.3155 204.8110 557298.3073 7.8277 7.6925 PRESSURE: 3965800 11.4401 -35.695 109.685 -35.6954 -271.763 25.5987 109.685 25.5981 -381.764 GPRESSURE: 3965800 73.2147 -31.6218 117.442 -58.053 -209.57 31.9993 112.658 -10.3001 -402.356 PRESSAVG: 3965800 13.3869 28.5045 13.5092 28.5045 -52.1398 3.35919 13.5092 3.35927 42.349 GPRESSAVG: 3965800 14.0403 28.0281 14.3445 27.9317 -51.9657 4.3016 13.6691 3.47444 41.5499 TIMING: 3965800 CPU: 11525.5, 0.0029168/step Wall: 11525.5, 0.0029168/step, 0.837932 hours remaining, 207.539062 MB of memory in use. ENERGY: 3965800 709.8522 2181.7342 1925.9544 114.6285 -205658.8041 17241.9188 0.0000 0.0000 34466.1833 -149018.5327 301.0018 -183484.7160 -148921.5013 299.7503 -214.0290 -179.5705 557211.9417 1.1987 1.2081 PRESSURE: 3966000 -75.1995 -22.2001 -43.4692 -22.1998 -33.1154 141.311 -43.4701 141.312 -278.546 GPRESSURE: 3966000 -13.7874 3.17795 -38.7792 -1.30239 -78.8525 32.8565 -58.6721 93.0472 -196.966 PRESSAVG: 3966000 -14.4789 3.67694 -10.0648 3.67691 60.2495 50.6443 -10.0649 50.6443 -18.3707 GPRESSAVG: 3966000 -14.1998 4.54416 -7.99099 1.42125 60.1715 49.9083 -11.4649 49.9921 -18.2329 TIMING: 3966000 CPU: 11526.1, 0.00290281/step Wall: 11526.1, 0.00290281/step, 0.833752 hours remaining, 207.539062 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: 3966000 752.4805 2103.9149 1939.9809 115.6597 -205830.7290 17602.9152 0.0000 0.0000 34305.3091 -149010.4687 299.5968 -183315.7779 -148909.1959 299.7570 -128.9536 -96.5353 557227.3666 9.1333 9.2463 PRESSURE: 3966200 -92.3496 15.2365 47.8934 15.2361 206.207 48.8915 47.894 48.8901 52.9821 GPRESSURE: 3966200 -42.6252 -3.04678 112.391 -67.3624 247.067 38.5814 59.4391 87.6183 63.7686 PRESSAVG: 3966200 51.9661 10.8103 10.5939 10.8102 36.9653 33.4354 10.5939 33.4353 -36.0575 GPRESSAVG: 3966200 51.9282 10.2179 8.46561 12.1029 37.652 34.2237 13.0892 33.1111 -36.3161 TIMING: 3966200 CPU: 11526.7, 0.00290868/step Wall: 11526.7, 0.00290868/step, 0.835275 hours remaining, 207.539062 MB of memory in use. ENERGY: 3966200 725.7147 2133.3707 1953.2760 119.4984 -205784.0224 17747.3013 0.0000 0.0000 34337.2390 -148767.6222 299.8756 -183104.8613 -148669.9057 299.8474 55.6131 89.4036 558378.4189 17.6246 17.7547 PRESSURE: 3966400 136.866 62.9508 -102.466 62.9506 -44.4312 99.9786 -102.466 99.9802 -226.198 GPRESSURE: 3966400 153.216 7.29143 -119.246 52.1409 11.7777 74.0754 -49.0954 196.59 -201.243 PRESSAVG: 3966400 27.3454 15.0331 20.4429 15.033 -18.6481 79.17 20.443 79.17 -82.0218 GPRESSAVG: 3966400 27.4391 15.5807 22.0824 14.6754 -19.0029 77.5336 18.3696 80.3603 -81.6426 TIMING: 3966400 CPU: 11527.3, 0.00292452/step Wall: 11527.3, 0.00292452/step, 0.839662 hours remaining, 207.539062 MB of memory in use. ENERGY: 3966400 752.0220 2087.7910 1961.7160 111.1846 -205715.9299 17617.0571 0.0000 0.0000 34304.5414 -148881.6177 299.5901 -183186.1591 -148779.4440 299.5906 -44.5876 -12.0831 558305.3531 -24.4415 -24.4021 PRESSURE: 3966600 -132.878 134.78 28.6892 134.782 -5.22155 -154.698 28.6906 -154.697 -146.744 GPRESSURE: 3966600 -59.6533 166.929 -4.02654 126.089 30.4661 -0.820723 53.874 -184.134 -148.819 PRESSAVG: 3966600 -15.949 19.6255 -44.9718 19.6255 41.4981 41.5473 -44.9718 41.5472 -20.926 GPRESSAVG: 3966600 -15.3302 19.8467 -47.331 20.3853 42.0543 44.8131 -44.5137 39.8469 -22.2512 TIMING: 3966600 CPU: 11527.8, 0.00290557/step Wall: 11527.8, 0.00290557/step, 0.834061 hours remaining, 207.539062 MB of memory in use. ENERGY: 3966600 708.2982 2127.3487 1949.9022 103.6497 -205860.5495 17526.9397 0.0000 0.0000 34425.6564 -149018.7547 300.6478 -183444.4111 -148921.5667 299.7870 -94.9478 -59.3353 556466.1141 1.5410 1.4910 PRESSURE: 3966800 -124.597 11.4753 11.2861 11.474 3.38694 121.207 11.2872 121.205 -125.844 GPRESSURE: 3966800 -76.5108 -11.5717 -21.0476 31.0709 68.509 93.5448 23.9233 108.407 -149.178 PRESSAVG: 3966800 0.938914 26.1996 -23.9642 26.1995 12.4913 19.5239 -23.9642 19.5239 -9.98948 GPRESSAVG: 3966800 0.942866 25.9315 -24.7362 24.5925 12.6101 17.5265 -22.6518 21.7036 -9.77762 TIMING: 3966800 CPU: 11528.4, 0.00292637/step Wall: 11528.4, 0.00292637/step, 0.839869 hours remaining, 207.539062 MB of memory in use. ENERGY: 3966800 753.7091 2082.4935 1945.8242 109.0415 -206171.2954 17861.9341 0.0000 0.0000 34412.4300 -149005.8631 300.5323 -183418.2931 -148907.6435 299.3660 -82.3514 -52.3932 558168.6409 1.1469 1.2584 PRESSURE: 3967000 234.302 -194.519 37.1338 -194.52 174.234 -72.2146 37.1329 -72.214 449.643 GPRESSURE: 3967000 265.847 -110.112 -8.2528 -199.138 199.867 -43.7947 94.777 -61.0292 482.279 PRESSAVG: 3967000 38.6469 -48.4544 9.5792 -48.4543 -58.6334 -4.79327 9.57926 -4.79327 -4.68667 GPRESSAVG: 3967000 40.0525 -48.7091 9.97447 -48.9802 -59.1807 -3.97623 9.89182 -6.90306 -4.96688 TIMING: 3967000 CPU: 11529, 0.0029226/step Wall: 11529, 0.0029226/step, 0.838624 hours remaining, 207.539062 MB of memory in use. ENERGY: 3967000 752.3677 2083.8240 1962.2220 109.0988 -206510.9636 18393.6943 0.0000 0.0000 34238.5432 -148971.2135 299.0137 -183209.7568 -148878.4308 299.5426 286.0599 315.9976 557173.7324 -8.2244 -8.0317 PRESSURE: 3967200 144.787 -45.558 -229.428 -45.5577 453.083 -49.5592 -229.427 -49.5574 223.054 GPRESSURE: 3967200 195.092 -22.5813 -275.508 -65.5092 424.411 -28.3437 -243.068 -68.1847 299.527 PRESSAVG: 3967200 22.3773 -38.5716 29.3085 -38.5716 -4.45806 -34.3692 29.3084 -34.3692 5.5241 GPRESSAVG: 3967200 22.1934 -39.3145 30.0904 -38.3956 -5.54635 -35.647 29.6099 -32.0425 6.7729 TIMING: 3967200 CPU: 11529.6, 0.00290233/step Wall: 11529.6, 0.00290233/step, 0.832647 hours remaining, 207.539062 MB of memory in use. ENERGY: 3967200 740.8600 2120.0060 1958.1992 102.3429 -206823.0583 18355.7177 0.0000 0.0000 34488.9369 -149056.9957 301.2005 -183545.9326 -148964.9503 298.8739 273.6416 306.3435 557502.1649 7.8145 7.8066 PRESSURE: 3967400 143.144 192.764 61.6253 192.764 -46.5456 -6.4972 61.6248 -6.49737 26.3309 GPRESSURE: 3967400 150.1 127.438 129.67 249.842 -28.734 20.0645 -30.5732 -58.5612 101.091 PRESSAVG: 3967400 -54.1971 28.9715 -10.3548 28.9715 55.5582 56.1388 -10.3548 56.1387 -15.2463 GPRESSAVG: 3967400 -55.8155 31.3109 -10.9964 27.3244 58.4032 58.1019 -11.0395 54.2257 -16.3226 TIMING: 3967400 CPU: 11530.2, 0.00291076/step Wall: 11530.2, 0.00291076/step, 0.834904 hours remaining, 207.539062 MB of memory in use. ENERGY: 3967400 758.6078 2041.2265 1941.6480 118.0817 -206483.9651 17987.0653 0.0000 0.0000 34460.6330 -149176.7029 300.9533 -183637.3358 -149082.9367 299.4978 40.9763 74.1521 558076.2502 -4.6284 -4.5783 PRESSURE: 3967600 124.984 103.308 14.8886 103.309 -209.043 133.847 14.8881 133.847 -164.937 GPRESSURE: 3967600 175.648 238.735 -9.27718 44.8868 -174.996 133.877 98.2606 142.729 -139.303 PRESSAVG: 3967600 54.4381 1.93006 -40.3238 1.93014 -69.6242 63.8472 -40.324 63.847 18.5583 GPRESSAVG: 3967600 55.4633 0.0656592 -40.4482 4.22858 -70.6695 63.6549 -40.0487 64.7788 18.8105 TIMING: 3967600 CPU: 11530.8, 0.00289746/step Wall: 11530.8, 0.00289746/step, 0.830927 hours remaining, 207.539062 MB of memory in use. ENERGY: 3967600 745.4303 2092.6731 1951.3896 110.9531 -206058.1815 17747.1653 0.0000 0.0000 34325.7799 -149084.7902 299.7756 -183410.5701 -148986.7305 298.9308 -82.9985 -46.2173 559683.3547 1.1241 1.2015 PRESSURE: 3967800 64.2853 -67.0162 -23.9216 -67.016 40.1402 217.125 -23.9216 217.126 35.1075 GPRESSURE: 3967800 90.2947 -65.7874 24.9744 5.50095 55.1371 205.218 -15.5413 156.216 84.2336 PRESSAVG: 3967800 -9.43543 -19.4328 -53.621 -19.4329 4.33925 47.2361 -53.6211 47.236 -10.6106 GPRESSAVG: 3967800 -9.38396 -19.7443 -54.0931 -20.4074 4.39961 47.3374 -53.2909 46.4701 -11.1146 TIMING: 3967800 CPU: 11531.3, 0.00293858/step Wall: 11531.3, 0.00293858/step, 0.842556 hours remaining, 207.539062 MB of memory in use. ENERGY: 3967800 751.7159 2103.0460 1957.7944 128.5664 -206305.9351 18014.1310 0.0000 0.0000 34190.2755 -149160.4059 298.5922 -183350.6814 -149063.2906 299.2364 46.5110 76.5551 558865.7702 -5.2356 -5.3663 PRESSURE: 3968000 -126.998 -54.3934 82.7409 -54.394 -234.118 78.6865 82.7406 78.6877 -180.16 GPRESSURE: 3968000 -113.167 78.2405 28.6044 -75.4407 -192.592 24.7316 123.911 179.483 -132.64 PRESSAVG: 3968000 39.8487 -9.90166 -15.4307 -9.90167 -10.8208 82.2721 -15.4307 82.2722 -41.9552 GPRESSAVG: 3968000 39.2028 -7.45643 -13.0194 -10.5891 -10.7463 79.8769 -15.1977 83.9724 -41.7101 TIMING: 3968000 CPU: 11531.9, 0.00290145/step Wall: 11531.9, 0.00290145/step, 0.831748 hours remaining, 207.539062 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: 3968000 712.9047 2086.5422 1982.8213 127.9304 -206112.2738 17532.7561 0.0000 0.0000 34197.2887 -149472.0305 298.6534 -183669.3191 -149368.9412 299.1755 -180.4253 -146.1332 558279.7938 -4.3091 -4.4179 PRESSURE: 3968200 -10.452 101.644 17.6313 101.643 30.184 -48.8049 17.6317 -48.8042 -67.8273 GPRESSURE: 3968200 -19.0018 63.1165 -9.88529 144.658 59.231 -70.7674 33.561 25.259 2.18645 PRESSAVG: 3968200 5.81319 -26.0449 -12.7069 -26.0448 33.7682 44.3173 -12.7067 44.3172 -59.1207 GPRESSAVG: 3968200 6.60443 -29.0592 -13.3653 -23.4112 33.0129 43.9743 -13.9698 45.8971 -59.2192 TIMING: 3968200 CPU: 11532.5, 0.00291579/step Wall: 11532.5, 0.00291579/step, 0.835697 hours remaining, 207.539062 MB of memory in use. ENERGY: 3968200 742.6453 2050.7247 1987.6755 113.6562 -206211.2570 17893.7285 0.0000 0.0000 34074.9252 -149347.9016 297.5848 -183422.8268 -149247.9905 298.2365 -16.0318 14.1385 556215.1275 -6.5131 -6.5340 LDB: ============= START OF LOAD BALANCING ============== 11536 LDB: ============== END OF LOAD BALANCING =============== 11536 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11536 LDB: ============= START OF LOAD BALANCING ============== 11536.3 LDB: Largest compute 4848 load 0.027865 is 23.7% of average load 0.117749 LDB: Average compute 0.001743 is 1.5% of average load 0.117749 LDB: TIME 11536.3 LOAD: AVG 0.117749 MAX 0.181982 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.824 MB LDB: TIME 11536.3 LOAD: AVG 0.117749 MAX 0.181982 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: TIME 11536.3 LOAD: AVG 0.117749 MAX 0.181982 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.027 MB LDB: ============== END OF LOAD BALANCING =============== 11536.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11536.3 PRESSURE: 3968400 -11.9517 68.3607 -92.4605 68.3608 -229.964 -35.2473 -92.4595 -35.2466 -37.8341 GPRESSURE: 3968400 -25.0165 37.024 -105.196 115.953 -159.253 22.2918 -96.018 10.9544 -5.86722 PRESSAVG: 3968400 -16.0604 29.2933 -46.2836 29.2934 -6.32791 1.98415 -46.2835 1.98428 -17.7566 GPRESSAVG: 3968400 -16.2801 28.9655 -47.6691 28.5815 -6.14132 1.13419 -46.2272 -1.37909 -17.583 TIMING: 3968400 CPU: 11533.1, 0.00296698/step Wall: 11533.1, 0.00296698/step, 0.850204 hours remaining, 207.152344 MB of memory in use. ENERGY: 3968400 730.4494 2054.0071 1967.7641 121.4670 -205922.9788 17711.5830 0.0000 0.0000 34108.2327 -149229.4755 297.8757 -183337.7082 -149129.0471 298.6123 -93.2500 -63.3789 557194.1145 -13.3816 -13.3348 PRESSURE: 3968600 -400.099 77.7396 -39.675 77.7406 55.3639 -96.6008 -39.6747 -96.5993 -135.086 GPRESSURE: 3968600 -311.505 77.4628 0.67074 126.165 75.023 -166.593 -40.1021 4.76355 -132.656 PRESSAVG: 3968600 -42.6678 8.72748 2.16898 8.72749 18.2224 -4.03289 2.16904 -4.03278 49.7546 GPRESSAVG: 3968600 -41.0594 10.835 1.64835 7.99242 17.4847 -2.79608 2.51082 -1.53059 49.06 TIMING: 3968600 CPU: 11533.7, 0.00290748/step Wall: 11533.7, 0.00290748/step, 0.832992 hours remaining, 207.222656 MB of memory in use. ENERGY: 3968600 729.3695 2047.3991 1972.8788 111.7406 -205851.9009 17591.4589 0.0000 0.0000 34186.3248 -149212.7292 298.5577 -183399.0539 -149115.0551 299.1414 -159.9405 -123.0459 558516.7987 8.4364 8.4951 PRESSURE: 3968800 -327.284 112.409 -86.8665 112.41 -280.618 102.14 -86.8658 102.139 -34.4577 GPRESSURE: 3968800 -289.713 156.117 -107.625 62.8939 -309.304 79.7847 -71.0651 25.7368 46.0109 PRESSAVG: 3968800 28.1577 9.18781 8.05843 9.1878 -24.4498 37.1053 8.05832 37.1053 -5.99186 GPRESSAVG: 3968800 27.0291 9.64687 11.2227 9.37012 -24.5597 39.2969 6.764 34.8913 -5.09554 TIMING: 3968800 CPU: 11534.3, 0.00292626/step Wall: 11534.3, 0.00292626/step, 0.83821 hours remaining, 207.425781 MB of memory in use. ENERGY: 3968800 743.7271 2098.4985 1934.2302 107.2381 -205833.2069 17513.8426 0.0000 0.0000 34151.9687 -149283.7017 298.2576 -183435.6704 -149187.4362 299.1077 -214.1199 -184.3354 559646.0514 -0.7613 -0.8754 PRESSURE: 3969000 -41.3074 36.2799 43.5853 36.2784 -26.2326 46.3818 43.5849 46.3817 169.955 GPRESSURE: 3969000 -28.6214 -1.60294 28.5878 113.493 28.7725 54.9587 44.5332 9.88572 206.977 PRESSAVG: 3969000 1.0109 55.6909 -7.87938 55.6909 -14.7736 19.4846 -7.87946 19.4846 -1.72909 GPRESSAVG: 3969000 0.444138 54.3383 -10.1675 58.1888 -13.3103 17.2255 -7.1263 21.4571 -2.22289 TIMING: 3969000 CPU: 11534.9, 0.00290095/step Wall: 11534.9, 0.00290095/step, 0.830799 hours remaining, 207.425781 MB of memory in use. ENERGY: 3969000 714.6327 2076.8096 1939.5005 116.4283 -206309.2135 17904.6872 0.0000 0.0000 34181.8265 -149375.3287 298.5184 -183557.1552 -149269.7572 298.4454 34.1384 69.0428 559507.1765 -5.1639 -5.0297 PRESSURE: 3969200 -85.2185 81.1892 -172.289 81.1894 172.688 -41.784 -172.289 -41.7817 -237.155 GPRESSURE: 3969200 -26.4273 65.636 -150.027 143.547 174.699 -85.8408 -130.649 -73.219 -206.815 PRESSAVG: 3969200 30.3391 2.24345 -10.3802 2.24353 -33.9308 61.4512 -10.3803 61.4511 6.3321 GPRESSAVG: 3969200 32.8823 4.1723 -9.45113 -1.49351 -36.4886 63.2202 -12.3679 60.4021 6.46342 TIMING: 3969200 CPU: 11535.4, 0.00288659/step Wall: 11535.4, 0.0028866/step, 0.826528 hours remaining, 207.425781 MB of memory in use. ENERGY: 3969200 720.3100 2100.8389 1956.0344 108.4452 -206311.4525 17812.4857 0.0000 0.0000 34332.1651 -149281.1731 299.8313 -183613.3382 -149184.9272 298.6236 -49.8952 -19.5143 558682.5180 0.9135 0.9523 PRESSURE: 3969400 -125.69 -152.327 -81.7587 -152.327 160.991 97.4377 -81.7599 97.4387 -267.665 GPRESSURE: 3969400 -70.6763 -174.304 -87.3237 -142.49 149.457 29.8548 -15.0893 120.676 -225.024 PRESSAVG: 3969400 -20.0831 25.089 -97.7014 25.089 -23.7105 -39.1386 -97.7015 -39.1385 -11.2789 GPRESSAVG: 3969400 -21.9843 22.5632 -99.221 28.7674 -22.6734 -42.2366 -94.7847 -38.8127 -10.5851 TIMING: 3969400 CPU: 11536, 0.00290465/step Wall: 11536, 0.00290465/step, 0.831537 hours remaining, 207.425781 MB of memory in use. ENERGY: 3969400 767.0568 2070.5296 1955.1956 108.2516 -206358.8889 18042.7229 0.0000 0.0000 34149.6336 -149265.4987 298.2372 -183415.1323 -149176.2099 298.9423 -77.4547 -48.7477 558902.4727 -18.3575 -18.4143 PRESSURE: 3969600 -38.975 -72.8204 -84.8996 -72.8199 160.465 -11.6331 -84.8996 -11.6333 -83.277 GPRESSURE: 3969600 -9.90276 -93.4172 -118.538 -21.8925 190.92 -22.3811 -9.86239 5.34811 -56.2822 PRESSAVG: 3969600 2.64081 -29.956 -33.281 -29.9561 16.0266 -45.6348 -33.281 -45.6348 20.9295 GPRESSAVG: 3969600 2.61029 -29.7204 -32.3194 -31.6829 17.7339 -42.2984 -34.8574 -46.7294 19.5165 TIMING: 3969600 CPU: 11536.6, 0.00288111/step Wall: 11536.6, 0.00288111/step, 0.824637 hours remaining, 207.425781 MB of memory in use. ENERGY: 3969600 768.6515 2064.8386 1977.9929 112.3364 -206215.5701 17902.5159 0.0000 0.0000 34254.9398 -149134.2950 299.1569 -183389.2348 -149032.2252 298.4259 12.7378 41.5783 559089.5263 13.1990 13.2869 PRESSURE: 3969800 128.173 139.252 -149.764 139.252 39.16 3.21343 -149.763 3.21363 -22.1218 GPRESSURE: 3969800 139.319 127.107 -32.2501 95.3291 102.432 -25.611 -137.403 24.2844 1.87247 PRESSAVG: 3969800 -22.883 -31.3197 -2.46234 -31.3198 19.2233 -12.5408 -2.46238 -12.5408 32.5197 GPRESSAVG: 3969800 -22.8357 -28.7668 -4.07874 -34.1133 17.531 -13.3447 1.16192 -13.5471 34.2906 TIMING: 3969800 CPU: 11537.2, 0.00289196/step Wall: 11537.2, 0.00289196/step, 0.827581 hours remaining, 207.425781 MB of memory in use. ENERGY: 3969800 738.2890 2076.3505 1933.1491 111.9343 -206605.8329 18052.8569 0.0000 0.0000 34382.9836 -149310.2694 300.2751 -183693.2531 -149212.1855 298.6101 48.4036 81.2078 558076.8233 9.6200 9.6620 PRESSURE: 3970000 191.673 -75.4827 -2.52787 -75.4826 -141.549 -36.9282 -2.52704 -36.9278 161.213 GPRESSURE: 3970000 245.938 -72.1318 -51.8918 -90.3701 -135.511 -60.6744 35.7962 -39.9295 190.428 PRESSAVG: 3970000 -37.2219 -2.55151 -30.5099 -2.55141 1.02276 43.5195 -30.5101 43.5196 45.3238 GPRESSAVG: 3970000 -37.0299 -3.52903 -28.9371 -2.76629 1.08971 44.1632 -34.4569 44.0719 44.6026 TIMING: 3970000 CPU: 11537.7, 0.00289808/step Wall: 11537.7, 0.00289808/step, 0.829172 hours remaining, 207.425781 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: 3970000 723.7233 2062.2120 1977.5915 107.2515 -206383.7627 17845.2730 0.0000 0.0000 34208.9746 -149458.7367 298.7555 -183667.7113 -149363.6671 298.7831 70.4455 100.2853 556454.1170 3.0416 2.8875 PRESSURE: 3970200 -242.777 -11.0286 -6.86961 -11.0298 -46.2071 44.2217 -6.8698 44.2199 -166.974 GPRESSURE: 3970200 -181.027 45.0763 53.74 -14.808 -77.0636 52.989 -51.0912 -58.8899 -103.186 PRESSAVG: 3970200 -43.5417 -8.657 -10.4361 -8.65702 55.0644 3.13754 -10.436 3.13749 -9.88586 GPRESSAVG: 3970200 -42.1734 -9.32438 -9.41465 -8.47164 54.7298 1.26846 -8.51269 3.08856 -10.9873 TIMING: 3970200 CPU: 11538.3, 0.00289914/step Wall: 11538.3, 0.00289914/step, 0.829316 hours remaining, 207.425781 MB of memory in use. ENERGY: 3970200 769.5941 2100.1354 1957.9685 113.0712 -206313.3939 17649.0689 0.0000 0.0000 34432.7965 -149290.7592 300.7102 -183723.5558 -149190.1786 298.1444 -151.9861 -120.4252 557396.3996 0.5456 0.5230 PRESSURE: 3970400 -180.965 -81.8825 61.0676 -81.8824 24.52 -25.5909 61.0666 -25.5919 -50.5275 GPRESSURE: 3970400 -160.992 -35.4365 146.563 -50.4092 54.3232 -27.9718 -3.96806 -37.8097 -0.187039 PRESSAVG: 3970400 -5.49879 -1.28982 -28.8643 -1.28988 11.6327 -4.75461 -28.8644 -4.75463 3.87295 GPRESSAVG: 3970400 -6.20482 0.603811 -27.2732 -0.150441 11.8953 -2.24363 -31.1984 -5.09099 4.07798 TIMING: 3970400 CPU: 11538.9, 0.0029007/step Wall: 11538.9, 0.0029007/step, 0.8296 hours remaining, 207.425781 MB of memory in use. ENERGY: 3970400 748.6010 2088.2888 1943.9899 99.3888 -206412.7473 17831.9021 0.0000 0.0000 34257.8881 -149442.6885 299.1827 -183700.5766 -149347.0899 298.4896 -68.9909 -35.6187 557394.9162 3.3356 3.2561 PRESSURE: 3970600 -158.545 100.437 -2.23253 100.436 -40.083 -43.2175 -2.23335 -43.2168 -157.233 GPRESSURE: 3970600 -116.001 149.567 18.9815 127.05 -63.6888 -125.745 -13.9561 1.69298 -79.8368 PRESSAVG: 3970600 -27.4513 1.07331 -28.5883 1.07326 -28.5038 11.9053 -28.5883 11.9053 35.3853 GPRESSAVG: 3970600 -28.3065 1.02274 -28.5728 1.5533 -29.0125 9.89087 -28.342 14.774 36.7766 TIMING: 3970600 CPU: 11539.5, 0.00291302/step Wall: 11539.5, 0.00291302/step, 0.832963 hours remaining, 207.425781 MB of memory in use. ENERGY: 3970600 732.5543 2062.9950 1944.2397 99.3899 -206081.2542 17605.4831 0.0000 0.0000 34086.4778 -149550.1143 297.6857 -183636.5921 -149457.8051 298.3462 -118.6205 -86.5089 558137.7071 -6.8566 -6.8475 PRESSURE: 3970800 -135.676 -156.78 -46.7607 -156.78 -221.984 62.8033 -46.7598 62.8031 -74.3683 GPRESSURE: 3970800 -62.281 -201.357 -30.4286 -36.7188 -185.619 95.7703 -67.6263 71.6127 -88.6143 PRESSAVG: 3970800 37.615 -12.3787 -54.8539 -12.3787 -39.0113 43.1763 -54.854 43.1764 8.24052 GPRESSAVG: 3970800 37.3213 -14.7335 -55.8518 -9.75978 -37.9382 43.8069 -53.8617 43.194 7.05134 TIMING: 3970800 CPU: 11540.1, 0.00291331/step Wall: 11540.1, 0.00291331/step, 0.832882 hours remaining, 207.425781 MB of memory in use. ENERGY: 3970800 716.0178 2117.4415 1954.5788 106.1370 -206296.6353 17674.8313 0.0000 0.0000 34222.1685 -149505.4604 298.8707 -183727.6289 -149408.5490 298.1408 -144.0093 -112.1715 559315.5451 2.2814 2.1448 PRESSURE: 3971000 -210.121 -5.71247 67.9578 -5.71141 -76.6302 59.7559 67.9589 59.7566 136.419 GPRESSURE: 3971000 -190.686 -8.5576 138.321 -38.6576 -93.2477 47.2629 116.958 68.7959 216.102 PRESSAVG: 3971000 -4.09669 8.04249 12.7931 8.04247 -36.5522 -7.69164 12.7931 -7.69168 11.1244 GPRESSAVG: 3971000 -4.03102 8.25058 12.1311 7.52157 -36.4094 -8.2883 14.2494 -8.27041 10.5775 TIMING: 3971000 CPU: 11540.7, 0.00290183/step Wall: 11540.7, 0.00290183/step, 0.829441 hours remaining, 207.425781 MB of memory in use. ENERGY: 3971000 802.2754 2116.4696 1958.3457 119.5541 -206776.8742 17891.6730 0.0000 0.0000 34295.0955 -149593.4610 299.5076 -183888.5564 -149501.3303 298.5976 -50.1107 -22.6106 557407.5583 -9.8415 -9.9543 PRESSURE: 3971200 -160.566 46.2527 95.6908 46.2527 -14.2225 -87.8381 95.6908 -87.8389 -155.002 GPRESSURE: 3971200 -166.703 29.3193 73.4717 95.8788 26.3625 -54.0779 30.8756 -56.2063 -102.928 PRESSAVG: 3971200 -9.95672 1.38454 -37.5378 1.38448 -17.922 27.4032 -37.5376 27.4032 70.7517 GPRESSAVG: 3971200 -10.1361 2.10126 -38.9935 -0.993407 -17.7447 28.7546 -37.6371 26.5173 70.6607 TIMING: 3971200 CPU: 11541.2, 0.00292663/step Wall: 11541.2, 0.00292663/step, 0.836366 hours remaining, 207.425781 MB of memory in use. ENERGY: 3971200 752.1517 2101.8576 1969.6701 118.1458 -206208.6444 17529.7732 0.0000 0.0000 34333.1317 -149403.9143 299.8398 -183737.0460 -149304.6803 298.4452 -109.9300 -81.0896 556189.2094 14.2910 14.2600 PRESSURE: 3971400 -285.576 -57.5584 -5.84187 -57.5585 -62.7754 34.3777 -5.84209 34.3763 53.8503 GPRESSURE: 3971400 -272.209 -105.474 -53.1038 43.2159 31.8298 157.627 -52.7234 18.5541 32.8538 PRESSAVG: 3971400 -19.7405 -15.5883 -5.45617 -15.5882 -22.5488 5.64027 -5.45611 5.64035 25.7541 GPRESSAVG: 3971400 -18.9676 -15.0826 -2.03626 -16.0519 -23.2128 4.16983 -7.50246 8.69397 26.1372 TIMING: 3971400 CPU: 11541.8, 0.00294105/step Wall: 11541.8, 0.00294105/step, 0.840323 hours remaining, 207.425781 MB of memory in use. ENERGY: 3971400 759.6693 2081.5045 1953.2783 104.7811 -206282.8802 17739.2653 0.0000 0.0000 34117.0554 -149527.3264 297.9527 -183644.3818 -149434.5484 299.1737 -98.1671 -69.1751 557551.2954 -5.5117 -5.3477 PRESSURE: 3971600 79.5764 59.6698 203.72 59.6695 -77.5004 59.5987 203.72 59.5996 -177.801 GPRESSURE: 3971600 35.4448 54.0635 100.411 22.4612 -12.4216 53.4831 240.895 16.0315 -107.524 PRESSAVG: 3971600 -41.869 -5.46974 6.1347 -5.46977 4.75033 31.7458 6.13459 31.7461 16.4226 GPRESSAVG: 3971600 -43.1036 -6.68299 4.8745 -5.62263 5.07162 31.028 6.20279 30.4489 16.7411 TIMING: 3971600 CPU: 11542.4, 0.00292394/step Wall: 11542.4, 0.00292394/step, 0.835271 hours remaining, 207.425781 MB of memory in use. ENERGY: 3971600 765.9229 2123.5191 1958.7736 117.3753 -206335.0639 17812.3903 0.0000 0.0000 34053.9949 -149503.0878 297.4020 -183557.0827 -149400.7285 298.7040 -58.5748 -28.1668 556550.8104 -6.8987 -7.0970 PRESSURE: 3971800 -323.238 -108.527 -121.71 -108.526 119.861 29.2639 -121.71 29.2644 -344.01 GPRESSURE: 3971800 -275.845 -46.2412 -123.927 -231.4 114.911 10.6588 -112.886 12.4226 -281.902 PRESSAVG: 3971800 22.6175 -28.0162 -13.8719 -28.0163 -15.4707 30.9421 -13.872 30.942 6.35815 GPRESSAVG: 3971800 23.257 -25.5084 -14.6188 -29.1567 -16.5168 31.5423 -12.1055 31.9042 6.80112 TIMING: 3971800 CPU: 11543, 0.00291898/step Wall: 11543, 0.00291898/step, 0.833693 hours remaining, 207.425781 MB of memory in use. ENERGY: 3971800 769.3409 2128.2038 1931.0389 109.6214 -206183.4872 17602.8366 0.0000 0.0000 34154.3325 -149488.1132 298.2783 -183642.4457 -149392.6501 298.1090 -182.4625 -147.6118 558167.7309 4.5016 4.5137 PRESSURE: 3972000 -134.828 78.8664 -188.001 78.8669 -260.88 -111.961 -188.002 -111.962 41.4215 GPRESSURE: 3972000 -122.656 118.434 -263.035 43.8182 -199.015 -139.777 -255.939 -111.254 70.2458 PRESSAVG: 3972000 -13.632 -13.9133 -28.1048 -13.9133 68.6554 -21.1164 -28.1048 -21.1163 -67.285 GPRESSAVG: 3972000 -14.2335 -16.9403 -27.5551 -10.972 70.1157 -19.4015 -29.8481 -24.0577 -68.218 TIMING: 3972000 CPU: 11543.6, 0.00289435/step Wall: 11543.6, 0.00289435/step, 0.826498 hours remaining, 207.425781 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: 3972000 755.3438 2106.6337 1947.4865 115.0013 -206262.8077 17728.3392 0.0000 0.0000 34249.3930 -149360.6102 299.1085 -183610.0032 -149263.9494 298.7655 -118.0955 -83.8084 557990.7675 -4.0872 -4.1119 PRESSURE: 3972200 -32.8122 -89.8241 -39.4693 -89.8241 -238.016 -17.0616 -39.4696 -17.0613 -232.451 GPRESSURE: 3972200 -2.69453 -90.9311 14.2752 12.7499 -205.881 -21.0544 -86.4784 -30.2828 -204.105 PRESSAVG: 3972200 93.1161 25.4508 -31.369 25.4507 -34.4946 9.81977 -31.369 9.81981 -54.1669 GPRESSAVG: 3972200 92.6834 28.1285 -32.699 25.5616 -35.9056 8.65882 -30.0978 11.6545 -52.9865 TIMING: 3972200 CPU: 11544.2, 0.00289667/step Wall: 11544.2, 0.00289667/step, 0.826999 hours remaining, 207.425781 MB of memory in use. ENERGY: 3972200 715.8719 2085.9147 1958.9159 111.9268 -206056.7557 17629.6576 0.0000 0.0000 34173.7601 -149380.7086 298.4479 -183554.4688 -149284.6039 298.8387 -167.7597 -137.5601 557444.1438 1.4849 1.2638 LDB: ============= START OF LOAD BALANCING ============== 11547.6 LDB: ============== END OF LOAD BALANCING =============== 11547.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11547.6 LDB: ============= START OF LOAD BALANCING ============== 11547.9 LDB: Largest compute 4848 load 0.029249 is 24.8% of average load 0.117765 LDB: Average compute 0.001748 is 1.5% of average load 0.117765 LDB: TIME 11547.9 LOAD: AVG 0.117765 MAX 0.181746 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.379 MB LDB: TIME 11547.9 LOAD: AVG 0.117765 MAX 0.181746 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.582 MB LDB: TIME 11547.9 LOAD: AVG 0.117765 MAX 0.181746 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.582 MB LDB: ============== END OF LOAD BALANCING =============== 11547.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11547.9 PRESSURE: 3972400 -140.939 27.046 -39.4528 27.0451 -253.589 20.4437 -39.4547 20.4427 -61.5792 GPRESSURE: 3972400 -149.409 17.7862 -50.9741 59.941 -158.756 72.0153 24.132 -11.5365 -44.0506 PRESSAVG: 3972400 -10.57 33.0983 -46.8522 33.0983 8.19116 9.52424 -46.8523 9.52431 15.6727 GPRESSAVG: 3972400 -10.4407 30.8894 -46.3726 32.3001 8.35235 7.7335 -46.0119 10.0553 15.5266 TIMING: 3972400 CPU: 11544.7, 0.00296271/step Wall: 11544.7, 0.00296271/step, 0.84569 hours remaining, 208.507812 MB of memory in use. ENERGY: 3972400 732.2146 2124.2702 1945.4317 122.2963 -206152.1267 17717.3546 0.0000 0.0000 34075.7586 -149434.8007 297.5921 -183510.5593 -149332.1834 297.9439 -152.0357 -117.4052 557404.7155 4.4313 4.4794 PRESSURE: 3972600 217.007 189.847 -4.43004 189.846 62.0789 65.7845 -4.42964 65.7834 -67.7027 GPRESSURE: 3972600 284.072 120.846 34.9175 254.212 46.247 117.729 -46.8557 165.73 -23.4412 PRESSAVG: 3972600 -81.8045 62.4968 -10.5572 62.4968 58.0316 -10.4103 -10.5572 -10.4102 2.62412 GPRESSAVG: 3972600 -80.729 63.8319 -9.5035 61.4663 58.7109 -8.76648 -9.20751 -11.571 1.1044 TIMING: 3972600 CPU: 11545.3, 0.00290374/step Wall: 11545.3, 0.00290374/step, 0.828695 hours remaining, 208.578125 MB of memory in use. ENERGY: 3972600 757.4589 2055.4871 1945.8371 102.9591 -206259.5510 17938.3822 0.0000 0.0000 34117.9197 -149341.5070 297.9603 -183459.4267 -149240.9293 298.2770 70.4612 102.2927 557512.5465 -7.0496 -6.9712 PRESSURE: 3972800 47.141 -78.6547 -102.547 -78.6556 16.1656 49.8538 -102.547 49.8547 -44.2294 GPRESSURE: 3972800 53.6649 -11.1333 -49.5759 -86.3152 6.59743 89.8938 -61.9417 -8.94437 56.8409 PRESSAVG: 3972800 -5.99398 37.9253 -12.2708 37.9253 -34.9316 8.68204 -12.2709 8.68207 4.76843 GPRESSAVG: 3972800 -5.96937 36.8031 -12.245 40.7702 -35.8347 9.0555 -12.6273 8.33606 5.6081 TIMING: 3972800 CPU: 11545.9, 0.00286923/step Wall: 11545.9, 0.00286923/step, 0.818688 hours remaining, 208.578125 MB of memory in use. ENERGY: 3972800 728.2567 2078.1976 1943.3828 109.1638 -206401.8393 17895.2799 0.0000 0.0000 34305.3136 -149342.2448 299.5968 -183647.5585 -149250.7162 298.0575 6.3591 39.0344 557903.1686 -12.0524 -12.0653 PRESSURE: 3973000 129.046 -18.1921 81.6202 -18.1922 112.516 19.6047 81.6203 19.6058 352.383 GPRESSURE: 3973000 184.911 28.2299 101.971 7.18684 141.456 -34.096 64.8367 74.3484 363.091 PRESSAVG: 3973000 41.537 7.76723 -7.48306 7.76728 -3.27912 -17.7187 -7.48299 -17.7186 11.6716 GPRESSAVG: 3973000 40.8965 9.95295 -8.83878 5.36131 -3.20935 -19.9993 -7.87424 -15.8022 12.1454 TIMING: 3973000 CPU: 11546.5, 0.00289323/step Wall: 11546.5, 0.00289323/step, 0.825373 hours remaining, 208.664062 MB of memory in use. ENERGY: 3973000 712.8018 2110.9823 1935.7577 130.5120 -206580.6009 18187.4532 0.0000 0.0000 34267.1565 -149235.9374 299.2636 -183503.0939 -149134.6547 297.7835 197.9815 229.8192 557765.5015 16.6432 16.6108 PRESSURE: 3973200 -84.5072 18.7879 -29.8873 18.7882 29.2184 58.6793 -29.8866 58.6796 -52.5216 GPRESSURE: 3973200 -27.0819 40.9127 -131.747 58.9628 27.7518 29.322 46.1534 -11.7836 -19.8454 PRESSAVG: 3973200 -19.5339 42.6915 11.2834 42.6916 -1.96264 -19.3303 11.2834 -19.3303 -10.2852 GPRESSAVG: 3973200 -19.6105 41.1013 10.6557 42.7585 -1.92287 -16.1342 10.1178 -20.9957 -10.0276 TIMING: 3973200 CPU: 11547.1, 0.00288348/step Wall: 11547.1, 0.00288348/step, 0.822432 hours remaining, 208.664062 MB of memory in use. ENERGY: 3973200 741.9443 2058.3889 1923.3144 111.8537 -206240.3312 17854.9250 0.0000 0.0000 34152.4154 -149397.4896 298.2615 -183549.9050 -149296.7850 298.5106 -35.9368 -6.3918 557067.0182 -10.5939 -10.5203 PRESSURE: 3973400 -31.1297 -31.695 76.7249 -31.6941 -115.489 -76.2098 76.7252 -76.2099 52.2466 GPRESSURE: 3973400 -21.4928 -56.6354 49.6869 31.4132 -93.9731 -50.5709 156.07 -225.287 118.953 PRESSAVG: 3973400 -30.9593 -10.5913 0.912831 -10.5914 -17.0428 -47.5079 0.912844 -47.5081 21.2022 GPRESSAVG: 3973400 -30.3694 -10.8142 0.539607 -10.3401 -17.2739 -49.1156 1.78102 -46.726 21.0509 TIMING: 3973400 CPU: 11547.6, 0.00290762/step Wall: 11547.6, 0.00290762/step, 0.829156 hours remaining, 208.664062 MB of memory in use. ENERGY: 3973400 765.2245 2051.4096 1949.4273 111.4745 -206276.3914 17942.6009 0.0000 0.0000 34169.0235 -149287.2312 298.4066 -183456.2547 -149187.3269 298.1734 -31.4575 1.1626 558347.4547 -8.9333 -8.8641 PRESSURE: 3973600 -44.4973 137.306 37.6031 137.307 -196.198 -67.6326 37.6039 -67.6311 -244.091 GPRESSURE: 3973600 -36.0657 179.949 -28.9633 84.0814 -128.402 -95.4509 14.2032 18.566 -229.617 PRESSAVG: 3973600 -10.6242 -43.787 -4.85245 -43.787 4.80981 -3.9854 -4.8525 -3.98539 10.0001 GPRESSAVG: 3973600 -11.2751 -44.023 -5.0146 -44.1249 6.33524 -2.11251 -6.43029 -4.56386 8.92275 TIMING: 3973600 CPU: 11548.2, 0.00291397/step Wall: 11548.2, 0.00291397/step, 0.830804 hours remaining, 208.664062 MB of memory in use. ENERGY: 3973600 730.7859 2085.7005 1970.1184 119.9113 -205855.9731 17542.3025 0.0000 0.0000 34212.8934 -149194.2611 298.7897 -183407.1545 -149092.6842 298.3351 -161.5956 -131.3618 558636.7881 1.3953 1.3276 PRESSURE: 3973800 -7.14864 7.37413 82.5168 7.3735 -189.725 -125.144 82.5147 -125.146 -180.01 GPRESSURE: 3973800 26.4722 -49.0422 75.4894 78.0131 -142.186 -106.119 62.725 -143.183 -158.529 PRESSAVG: 3973800 -2.30222 33.8328 11.7732 33.8328 3.38569 3.44391 11.7732 3.44393 -37.2691 GPRESSAVG: 3973800 -1.71519 33.3374 9.29957 35.4417 1.84756 2.66615 13.2837 4.69897 -36.1626 TIMING: 3973800 CPU: 11548.8, 0.00290417/step Wall: 11548.8, 0.00290417/step, 0.827851 hours remaining, 208.664062 MB of memory in use. ENERGY: 3973800 731.7937 2092.9783 1978.0336 124.0444 -205929.3240 17571.2545 0.0000 0.0000 34220.9848 -149210.2348 298.8604 -183431.2196 -149113.8225 299.9325 -125.6279 -91.4144 558708.6653 -12.0619 -12.0101 PRESSURE: 3974000 265.524 141.848 -44.3528 141.848 246.979 -37.9692 -44.3533 -37.9684 90.4507 GPRESSURE: 3974000 262.75 188.24 48.6003 58.181 249.194 35.0109 -96.4136 -69.2522 187.319 PRESSAVG: 3974000 23.1493 28.813 6.57273 28.8128 19.3419 -52.1093 6.57283 -52.1093 -10.2669 GPRESSAVG: 3974000 22.8215 31.5841 11.5603 26.3722 20.1426 -51.7304 4.29812 -52.631 -11.0872 TIMING: 3974000 CPU: 11549.4, 0.00289935/step Wall: 11549.4, 0.00289935/step, 0.826314 hours remaining, 208.664062 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: 3974000 700.6423 2100.8191 1949.3873 122.3152 -206377.3739 18141.3012 0.0000 0.0000 34245.4303 -149117.4785 299.0739 -183362.9088 -149022.7204 299.6873 200.9846 233.0877 559180.6144 10.7414 10.6256 PRESSURE: 3974200 59.5087 82.2385 151.487 82.2383 -41.3321 -85.8064 151.486 -85.808 136.172 GPRESSURE: 3974200 143.152 207.983 115.686 40.7277 -10.5013 -74.0422 105.721 -154.699 118.903 PRESSAVG: 3974200 46.2978 34.2068 1.36604 34.2069 -26.9057 -75.789 1.36599 -75.7891 -19.0535 GPRESSAVG: 3974200 47.1049 34.3738 0.539286 35.5364 -27.4738 -76.7136 2.31913 -77.8893 -19.2047 TIMING: 3974200 CPU: 11550, 0.00288758/step Wall: 11550, 0.00288758/step, 0.8228 hours remaining, 208.664062 MB of memory in use. ENERGY: 3974200 755.9793 2066.1130 1941.3225 112.1318 -206299.9337 17974.8397 0.0000 0.0000 34206.2580 -149243.2894 298.7318 -183449.5474 -149153.1905 299.8648 51.4495 83.8510 557794.6019 0.1129 0.1422 PRESSURE: 3974400 30.2228 4.87776 16.741 4.87808 127.191 111.126 16.7402 111.125 225.095 GPRESSURE: 3974400 94.8697 -34.7169 -2.47441 56.9743 145.256 -51.0164 -59.067 183.87 238.843 PRESSAVG: 3974400 -20.8474 18.0859 27.3983 18.0859 50.6908 -32.2671 27.3982 -32.2672 -4.31236 GPRESSAVG: 3974400 -21.1832 16.9783 28.5044 18.6527 50.8057 -30.868 27.1176 -30.0707 -3.20034 TIMING: 3974400 CPU: 11550.5, 0.00290484/step Wall: 11550.5, 0.00290484/step, 0.827556 hours remaining, 208.664062 MB of memory in use. ENERGY: 3974400 731.7821 2101.5904 1914.8278 111.9932 -206440.0119 18034.3104 0.0000 0.0000 34181.6710 -149363.8371 298.5170 -183545.5081 -149268.0424 299.3633 127.5032 159.6563 558532.3225 8.5104 8.8074 PRESSURE: 3974600 -26.0551 -77.1283 113.118 -77.1275 -5.7845 -24.6371 113.119 -24.6365 -106.298 GPRESSURE: 3974600 -45.2664 -90.4148 125.333 -20.7956 74.8046 -49.6103 65.8148 -53.5512 -75.1154 PRESSAVG: 3974600 -52.1101 14.9965 7.78973 14.9966 46.6241 -10.4223 7.78973 -10.4224 -14.9929 GPRESSAVG: 3974600 -51.8715 15.3875 6.5811 13.7176 46.9428 -13.4849 8.59726 -10.543 -15.3449 TIMING: 3974600 CPU: 11551.1, 0.00288332/step Wall: 11551.1, 0.00288332/step, 0.821266 hours remaining, 208.664062 MB of memory in use. ENERGY: 3974600 739.4220 2152.6191 1927.4854 122.1618 -206002.9026 17775.9042 0.0000 0.0000 34203.0752 -149082.2348 298.7040 -183285.3100 -148980.4834 298.5532 -46.0459 -15.1924 558064.4990 -6.8263 -6.7579 PRESSURE: 3974800 143.567 92.7258 12.3051 92.7257 -86.7053 -154.425 12.3047 -154.426 52.6223 GPRESSURE: 3974800 160.519 82.421 18.9225 -2.37453 -21.2022 -90.7624 -13.3352 -169.212 70.5801 PRESSAVG: 3974800 -12.3302 -1.39581 -22.7179 -1.39587 -15.5194 3.61537 -22.7179 3.61545 -7.89115 GPRESSAVG: 3974800 -12.8557 -1.30526 -24.058 -3.13398 -15.4437 5.10329 -21.7449 4.72095 -7.24944 TIMING: 3974800 CPU: 11551.7, 0.00287053/step Wall: 11551.7, 0.00287053/step, 0.817464 hours remaining, 208.664062 MB of memory in use. ENERGY: 3974800 743.4366 2134.4647 1955.7284 106.0221 -206313.4077 17906.7905 0.0000 0.0000 34283.3706 -149183.5947 299.4052 -183466.9654 -149085.9887 299.0534 36.4946 69.9655 558418.1708 -11.9136 -11.8496 PRESSURE: 3975000 -125.147 -78.1195 118.55 -78.1202 -120.934 18.7814 118.551 18.7812 -249.108 GPRESSURE: 3975000 -123.897 -2.54374 199.352 -77.0417 -102.659 -10.573 75.2886 33.9672 -177.802 PRESSAVG: 3975000 6.6628 0.868596 4.02976 0.868671 1.64101 -58.2792 4.02982 -58.2792 25.0163 GPRESSAVG: 3975000 6.61359 2.08605 4.43101 0.863095 1.64221 -58.2876 4.37522 -60.9266 25.4634 TIMING: 3975000 CPU: 11552.3, 0.00286206/step Wall: 11552.3, 0.00286206/step, 0.814891 hours remaining, 208.664062 MB of memory in use. ENERGY: 3975000 739.9923 2098.0227 1966.4056 105.9608 -206146.4235 17721.6914 0.0000 0.0000 34176.7315 -149337.6193 298.4739 -183514.3507 -149237.3289 298.9069 -165.0628 -134.7859 559047.6559 11.1067 11.2397 PRESSURE: 3975200 233.663 14.9599 7.30776 14.9608 241.477 216.626 7.30923 216.627 268.177 GPRESSURE: 3975200 270.669 64.6477 36.5875 -3.25022 292.744 222.557 58.7695 173.603 283.658 PRESSAVG: 3975200 -34.408 21.5228 -1.71013 21.5227 13.3921 -0.298039 -1.71016 -0.298092 -18.6808 GPRESSAVG: 3975200 -34.3459 19.2082 -2.44961 23.3798 14.2475 -1.12536 -0.933704 0.495934 -19.4569 TIMING: 3975200 CPU: 11552.8, 0.0028766/step Wall: 11552.8, 0.0028766/step, 0.818873 hours remaining, 208.664062 MB of memory in use. ENERGY: 3975200 679.3381 2084.1359 1946.2015 112.8068 -206725.8518 18388.6442 0.0000 0.0000 34316.8611 -149197.8642 299.6977 -183514.7254 -149104.5400 298.5349 247.7724 282.3570 558201.0859 -13.2322 -13.1851 PRESSURE: 3975400 -141.349 25.9884 2.97701 25.9883 126.059 -46.526 2.97777 -46.5247 120.357 GPRESSURE: 3975400 -66.8602 97.8006 0.127416 90.3396 129.739 -60.782 -9.21663 -2.81314 143.623 PRESSAVG: 3975400 -106.606 -23.3959 58.9244 -23.3959 60.0182 90.9118 58.9244 90.9118 46.5266 GPRESSAVG: 3975400 -106.85 -23.7164 59.5618 -23.2408 59.0121 91.5026 56.301 92.624 47.7246 TIMING: 3975400 CPU: 11553.4, 0.00286963/step Wall: 11553.4, 0.00286963/step, 0.81673 hours remaining, 208.664062 MB of memory in use. ENERGY: 3975400 713.5644 2056.3689 1953.4937 117.2961 -206298.7728 17901.4169 0.0000 0.0000 34332.5779 -149224.0549 299.8349 -183556.6328 -149132.6314 299.3754 35.0224 68.8339 558363.9289 -0.0203 -0.0376 PRESSURE: 3975600 -255.619 -80.5877 3.55712 -80.5874 -96.6685 32.9076 3.5557 32.9059 -89.9486 GPRESSURE: 3975600 -245.826 9.20589 13.1681 -118.341 -25.3979 5.18256 -61.7867 42.3084 -82.7769 PRESSAVG: 3975600 -71.6189 3.35613 -15.8879 3.35612 16.8705 3.89143 -15.8879 3.89147 47.2454 GPRESSAVG: 3975600 -69.8155 3.05713 -12.8258 5.30782 16.4543 1.67123 -17.0246 5.32696 46.2225 TIMING: 3975600 CPU: 11554, 0.0028871/step Wall: 11554, 0.0028871/step, 0.82154 hours remaining, 208.664062 MB of memory in use. ENERGY: 3975600 752.0654 2126.7575 1943.3831 109.2391 -205841.0465 17618.9692 0.0000 0.0000 34368.0124 -148922.6198 300.1444 -183290.6322 -148828.2521 299.5720 -147.4120 -118.0003 558646.9581 -2.5010 -2.3796 PRESSURE: 3975800 -67.0664 28.7243 214.082 28.7246 113.923 19.3973 214.081 19.3952 -198.103 GPRESSURE: 3975800 -39.1246 -17.2457 215.926 61.7633 122.758 17.3379 196.4 29.8179 -154.811 PRESSAVG: 3975800 -9.09809 10.479 -28.0471 10.479 31.3615 -33.3652 -28.0472 -33.3653 7.47885 GPRESSAVG: 3975800 -10.7931 10.345 -31.0523 9.23476 32.7548 -31.2637 -26.6066 -34.9604 7.8006 TIMING: 3975800 CPU: 11554.6, 0.00290235/step Wall: 11554.6, 0.00290235/step, 0.825718 hours remaining, 208.664062 MB of memory in use. ENERGY: 3975800 732.4321 2054.2078 1982.6806 121.0786 -205824.6337 17602.9078 0.0000 0.0000 34550.8568 -148780.4699 301.7412 -183331.3267 -148681.3165 299.9951 -50.4156 -23.7259 557978.7344 9.9141 9.9208 PRESSURE: 3976000 -29.924 200.338 -9.94298 200.337 -7.08373 -76.1076 -9.94277 -76.1077 -105.828 GPRESSURE: 3976000 39.6244 118.988 53.002 212.722 12.3603 -162.121 -14.6367 -57.941 -91.7657 PRESSAVG: 3976000 -52.5285 43.31 75.562 43.31 -50.3073 -20.4012 75.562 -20.4012 86.5971 GPRESSAVG: 3976000 -51.6783 41.9239 78.8827 44.191 -50.0163 -20.4216 73.4151 -20.8923 86.1824 TIMING: 3976000 CPU: 11555.1, 0.00290585/step Wall: 11555.1, 0.00290585/step, 0.826554 hours remaining, 208.664062 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: 3976000 759.6793 2070.3446 1980.1266 107.0760 -205743.1060 17624.0159 0.0000 0.0000 34416.8182 -148785.0452 300.5706 -183201.8635 -148691.0579 300.7507 -47.6120 -13.2603 558500.6103 -5.4129 -5.1707 PRESSURE: 3976200 -16.4151 -9.30077 -164.173 -9.30029 154.911 -2.52032 -164.174 -2.52076 65.5335 GPRESSURE: 3976200 23.5407 -21.12 -153.577 -63.1465 170.195 29.3242 -119.575 8.58189 110.541 PRESSAVG: 3976200 16.4891 12.8393 61.0642 12.8393 6.6436 8.11299 61.0641 8.11306 1.29301 GPRESSAVG: 3976200 15.9226 15.0712 60.3945 9.94537 5.43995 9.46288 61.5024 9.85976 2.74744 TIMING: 3976200 CPU: 11555.7, 0.00289874/step Wall: 11555.7, 0.00289874/step, 0.824371 hours remaining, 208.664062 MB of memory in use. ENERGY: 3976200 781.3119 2069.2336 2004.3650 103.3104 -206258.4829 17946.8979 0.0000 0.0000 34499.5013 -148853.8628 301.2927 -183353.3641 -148760.5831 300.0977 68.0098 101.4257 556415.9491 8.1419 8.0367 LDB: ============= START OF LOAD BALANCING ============== 11559.2 LDB: ============== END OF LOAD BALANCING =============== 11559.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11559.2 LDB: ============= START OF LOAD BALANCING ============== 11559.5 LDB: Largest compute 4848 load 0.028556 is 24.2% of average load 0.117820 LDB: Average compute 0.001740 is 1.5% of average load 0.117820 LDB: TIME 11559.5 LOAD: AVG 0.11782 MAX 0.178262 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 11559.5 LOAD: AVG 0.11782 MAX 0.178262 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: TIME 11559.5 LOAD: AVG 0.11782 MAX 0.178262 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11559.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11559.5 PRESSURE: 3976400 -78.8764 -92.9326 -61.6743 -92.933 93.0603 38.9579 -61.6734 38.9568 -36.6457 GPRESSURE: 3976400 9.13905 -75.4366 3.73299 -36.2632 97.7676 127.775 -58.451 41.2689 -35.105 PRESSAVG: 3976400 -23.8529 24.6361 -16.6556 24.6361 30.8814 27.871 -16.6555 27.8711 -6.43394 GPRESSAVG: 3976400 -24.2907 25.1787 -14.7477 28.6437 30.9273 27.6046 -19.2994 25.9151 -6.3693 TIMING: 3976400 CPU: 11556.3, 0.00295255/step Wall: 11556.3, 0.00295255/step, 0.83951 hours remaining, 208.187500 MB of memory in use. ENERGY: 3976400 714.0457 2145.3588 1961.9964 129.1947 -205570.1866 17565.9806 0.0000 0.0000 34204.7422 -148848.8681 298.7185 -183053.6103 -148762.3382 300.1813 -7.4873 23.9339 557587.1850 0.1982 0.0891 PRESSURE: 3976600 94.2965 77.8284 101.717 77.8305 -229.219 -0.821326 101.718 -0.821764 176.037 GPRESSURE: 3976600 27.9681 84.3035 132.294 99.4851 -123.275 -7.56684 150.559 61.6023 233.799 PRESSAVG: 3976600 99.8145 -2.02849 33.6682 -2.02834 -67.9056 13.2805 33.6682 13.2806 30.8827 GPRESSAVG: 3976600 99.2269 -2.67926 29.8606 -3.0914 -66.4232 13.218 35.5075 11.6495 30.2147 TIMING: 3976600 CPU: 11556.9, 0.00289989/step Wall: 11556.9, 0.00289989/step, 0.824375 hours remaining, 208.199219 MB of memory in use. ENERGY: 3976600 747.9032 2078.8763 1979.1803 116.7194 -205882.7391 17792.5871 0.0000 0.0000 34396.7328 -148770.7400 300.3952 -183167.4728 -148680.9369 300.4793 13.7048 46.1641 558367.0564 20.9305 21.0061 PRESSURE: 3976800 38.7468 -146.092 81.1228 -146.093 -43.1363 -133.479 81.1244 -133.478 95.6241 GPRESSURE: 3976800 99.8948 -50.9675 84.4949 -81.1326 -54.6635 -40.0923 49.2028 -187.677 144.141 PRESSAVG: 3976800 26.0868 -3.04844 41.0608 -3.04846 -66.7688 21.0473 41.0608 21.0473 6.56131 GPRESSAVG: 3976800 27.8121 -3.02615 41.7355 -3.49002 -68.6406 21.9623 42.3767 21.3973 6.81896 TIMING: 3976800 CPU: 11557.5, 0.00291457/step Wall: 11557.5, 0.00291457/step, 0.828385 hours remaining, 208.199219 MB of memory in use. ENERGY: 3976800 745.3266 2123.2527 1953.9654 124.6767 -206203.2918 17895.9007 0.0000 0.0000 34282.8503 -149077.3195 299.4007 -183360.1698 -148988.2443 299.2837 30.4115 63.1241 558497.3954 -11.3735 -11.3365 PRESSURE: 3977000 -72.5575 89.47 -92.7231 89.4706 -342.968 -62.4047 -92.7235 -62.4046 -285.908 GPRESSURE: 3977000 -101.55 50.7195 -86.2262 115.789 -323.204 -40.8423 -83.0436 -86.9079 -177.246 PRESSAVG: 3977000 19.3642 -40.6637 35.1173 -40.6637 -30.7092 18.532 35.1172 18.532 45.189 GPRESSAVG: 3977000 17.8426 -40.4239 33.6517 -40.2775 -30.1711 17.5388 35.848 18.3443 45.8072 TIMING: 3977000 CPU: 11558.1, 0.00289956/step Wall: 11558.1, 0.00289956/step, 0.823958 hours remaining, 208.402344 MB of memory in use. ENERGY: 3977000 742.9494 2071.2807 1942.9149 112.3054 -206148.1723 17651.0504 0.0000 0.0000 34466.0208 -149161.6506 301.0003 -183627.6714 -149060.8515 299.3339 -233.8109 -200.6668 559186.2991 11.2813 11.1596 PRESSURE: 3977200 -271.833 92.2185 74.6079 92.2182 -33.3211 -1.40849 74.6084 -1.41017 -108.286 GPRESSURE: 3977200 -293.902 147.076 59.7326 64.3413 31.6969 -93.3886 35.6043 24.2164 -56.8816 PRESSAVG: 3977200 -29.1254 11.7212 31.4668 11.7211 -54.8207 -23.6209 31.4669 -23.621 67.4458 GPRESSAVG: 3977200 -28.3248 11.2621 31.4474 10.5255 -55.8238 -24.4309 30.8595 -21.5573 67.4674 TIMING: 3977200 CPU: 11558.6, 0.00289331/step Wall: 11558.6, 0.00289331/step, 0.822021 hours remaining, 208.402344 MB of memory in use. ENERGY: 3977200 760.8859 2065.2852 1930.6505 115.1270 -206134.4271 17722.9602 0.0000 0.0000 34412.8912 -149126.6271 300.5363 -183539.5183 -149034.2076 298.7323 -137.8134 -106.3622 557568.4609 -5.5001 -5.5604 PRESSURE: 3977400 -64.3951 119.342 48.4116 119.339 127.535 33.3494 48.4125 33.3486 211.322 GPRESSURE: 3977400 -29.1622 157.881 35.6479 57.7447 202.722 55.4512 82.7588 15.3043 200.799 PRESSAVG: 3977400 12.0442 29.673 26.5576 29.6729 -0.917637 -28.5493 26.5574 -28.5494 2.89649 GPRESSAVG: 3977400 12.0083 29.8196 27.5355 30.4835 -1.54956 -28.5433 26.7423 -28.3176 3.6686 TIMING: 3977400 CPU: 11559.2, 0.00290529/step Wall: 11559.2, 0.00290529/step, 0.825265 hours remaining, 208.402344 MB of memory in use. ENERGY: 3977400 740.2630 2110.6146 1940.1021 103.6495 -205976.8342 17782.5651 0.0000 0.0000 34494.2213 -148805.4186 301.2466 -183299.6399 -148714.2198 299.8503 91.4873 124.7862 556633.5910 4.6744 4.7091 PRESSURE: 3977600 -112.239 55.6184 54.9023 55.618 -300.281 61.6207 54.9023 61.6202 -106.172 GPRESSURE: 3977600 -107.583 0.531199 102.799 0.337438 -271.309 10.3689 34.6722 176.868 -50.7374 PRESSAVG: 3977600 -113.636 34.9565 25.0552 34.9564 62.0689 -32.9301 25.0552 -32.9301 59.3157 GPRESSAVG: 3977600 -113.533 33.0546 22.4641 36.5983 63.0504 -32.0759 27.6176 -33.8895 57.5799 TIMING: 3977600 CPU: 11559.8, 0.00289883/step Wall: 11559.8, 0.00289883/step, 0.823268 hours remaining, 208.402344 MB of memory in use. ENERGY: 3977600 722.0818 2139.0807 1955.1077 105.1162 -205546.3918 17461.1567 0.0000 0.0000 34304.0278 -148859.8208 299.5856 -183163.8487 -148770.0959 300.4167 -172.8972 -143.2097 557586.1227 2.5830 2.3658 PRESSURE: 3977800 -146.54 221.056 214.911 221.056 -235.318 -93.251 214.912 -93.2521 -36.8224 GPRESSURE: 3977800 -176.768 165.572 108.796 209.059 -139.602 -61.4008 280.342 -34.9007 14.334 PRESSAVG: 3977800 -41.2706 23.614 3.48583 23.6141 -19.1828 -3.89154 3.48597 -3.89162 74.8017 GPRESSAVG: 3977800 -41.2229 25.4452 6.53463 21.3156 -19.2604 -5.09352 1.44662 -3.61096 75.1743 TIMING: 3977800 CPU: 11560.4, 0.00289897/step Wall: 11560.4, 0.00289897/step, 0.823146 hours remaining, 208.402344 MB of memory in use. ENERGY: 3977800 771.1031 2050.2883 1925.5521 120.3042 -205614.4480 17479.2697 0.0000 0.0000 34496.7984 -148771.1321 301.2691 -183267.9306 -148670.0492 299.9859 -139.5600 -100.6788 558242.6375 4.7828 4.8970 PRESSURE: 3978000 -21.8606 -82.5239 41.1871 -82.5235 -356.375 150.948 41.1863 150.949 -196.704 GPRESSURE: 3978000 -40.508 -84.2215 99.9603 -10.7411 -278.652 184.673 -7.49969 149.814 -161.921 PRESSAVG: 3978000 -53.0785 -11.3402 -26.4676 -11.3403 -47.1228 42.8622 -26.4675 42.8622 90.2977 GPRESSAVG: 3978000 -54.0618 -11.9544 -27.2905 -9.45119 -46.901 44.7294 -25.1968 42.4242 91.0273 TIMING: 3978000 CPU: 11561, 0.00290203/step Wall: 11561, 0.00290203/step, 0.823853 hours remaining, 208.402344 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: 3978000 754.3660 2122.7882 1922.7501 110.2775 -205499.9460 17557.4585 0.0000 0.0000 34391.8926 -148640.4131 300.3530 -183032.3057 -148539.6561 299.8760 -191.6466 -160.3606 559448.7505 -3.3012 -3.3118 PRESSURE: 3978200 57.817 108.151 -50.6326 108.151 415.672 212.699 -50.6323 212.701 6.69898 GPRESSURE: 3978200 118.996 161.161 -76.3788 83.2324 417.046 152.365 -9.94367 221.832 49.2747 PRESSAVG: 3978200 6.13828 8.35141 56.2762 8.35138 17.4936 53.8365 56.2762 53.8366 -3.07362 GPRESSAVG: 3978200 5.77304 8.89985 55.8235 6.99518 17.7995 52.4446 55.0607 52.7445 -2.66996 TIMING: 3978200 CPU: 11561.5, 0.00292549/step Wall: 11561.5, 0.00292549/step, 0.830352 hours remaining, 208.402344 MB of memory in use. ENERGY: 3978200 729.9218 2101.1530 1973.1900 104.2756 -205965.5831 17935.8367 0.0000 0.0000 34518.8356 -148602.3704 301.4616 -183121.2060 -148507.7427 300.9552 160.0628 195.1057 556609.5271 6.8527 6.9675 PRESSURE: 3978400 -130.232 -24.2014 11.3185 -24.2015 -71.7748 18.2625 11.3186 18.2639 -36.4943 GPRESSURE: 3978400 -94.2079 -49.1526 117.33 -80.9429 -63.2419 15.2973 43.2672 84.3253 13.5997 PRESSAVG: 3978400 -4.23495 19.9689 27.6573 19.9689 28.097 55.5314 27.6573 55.5314 2.15484 GPRESSAVG: 3978400 -3.81285 19.4501 29.6795 20.3397 27.4025 57.5337 26.4359 55.4868 1.25645 TIMING: 3978400 CPU: 11562.1, 0.00289546/step Wall: 11562.1, 0.00289546/step, 0.821667 hours remaining, 208.402344 MB of memory in use. ENERGY: 3978400 763.5236 2099.8950 1969.5628 120.1338 -205624.8154 17609.1519 0.0000 0.0000 34295.3133 -148767.2350 299.5095 -183062.5483 -148666.9942 301.0929 -79.5002 -47.9501 558486.2063 8.6723 8.2820 PRESSURE: 3978600 -90.6837 19.8252 -11.32 19.8251 157.257 -81.9277 -11.3213 -81.9277 174.154 GPRESSURE: 3978600 -21.5556 32.9298 -54.6443 1.5356 209.079 -145.51 -16.2865 -7.765 167.535 PRESSAVG: 3978600 -76.4135 -17.4081 21.5441 -17.4081 -8.13635 27.7277 21.5441 27.7277 81.9069 GPRESSAVG: 3978600 -75.7581 -16.7706 20.25 -17.6267 -8.59486 26.3872 22.8075 29.6255 81.2975 TIMING: 3978600 CPU: 11562.7, 0.00290898/step Wall: 11562.7, 0.00290898/step, 0.825342 hours remaining, 208.402344 MB of memory in use. ENERGY: 3978600 736.0225 2103.0871 1947.0064 105.8081 -205870.3893 17869.1236 0.0000 0.0000 34284.4217 -148824.9200 299.4144 -183109.3417 -148730.1406 300.3879 80.2426 118.3526 554728.1625 -0.8810 -1.0185 PRESSURE: 3978800 -143.474 121.237 10.9783 121.235 -157.995 -135.893 10.9775 -135.892 -215.113 GPRESSURE: 3978800 -128.343 -2.09286 50.617 177.723 -82.3457 -163.757 -28.8339 -31.2949 -203.91 PRESSAVG: 3978800 -65.4351 -44.233 -9.3498 -44.2329 36.343 -14.9704 -9.3499 -14.9704 16.9774 GPRESSAVG: 3978800 -66.44 -45.4523 -9.03 -44.7201 36.8513 -15.6816 -9.89898 -16.2109 17.7592 TIMING: 3978800 CPU: 11563.3, 0.00290943/step Wall: 11563.3, 0.00290943/step, 0.825309 hours remaining, 208.402344 MB of memory in use. ENERGY: 3978800 767.9155 2043.2058 1940.5148 107.8272 -205628.5253 17531.3000 0.0000 0.0000 34274.3700 -148963.3922 299.3266 -183237.7621 -148864.0067 300.1992 -172.1941 -138.1995 556474.8150 -4.0383 -3.9432 PRESSURE: 3979000 -260.064 -55.1096 28.6335 -55.1103 -126.693 -25.0613 28.6332 -25.0609 19.6669 GPRESSURE: 3979000 -230.771 -126.15 73.2967 56.4609 -86.3442 1.62699 85.4077 -5.20729 63.0908 PRESSAVG: 3979000 30.679 -36.4499 -39.2959 -36.4499 15.0139 50.6416 -39.2959 50.6417 -10.6984 GPRESSAVG: 3979000 31.2958 -34.4687 -38.8207 -36.3465 13.4918 51.525 -40.738 51.2999 -10.2651 TIMING: 3979000 CPU: 11563.9, 0.0029167/step Wall: 11563.9, 0.0029167/step, 0.82721 hours remaining, 208.402344 MB of memory in use. ENERGY: 3979000 722.0279 2144.2989 1969.9828 125.1894 -206099.0322 17642.5883 0.0000 0.0000 34350.0807 -149144.8641 299.9878 -183494.9449 -149051.9954 299.6328 -122.3632 -84.6747 558063.6943 11.6648 11.5075 PRESSURE: 3979200 29.8126 21.7366 -31.6244 21.736 -115.334 78.0187 -31.6258 78.0187 78.3262 GPRESSURE: 3979200 74.7033 4.52527 -28.2975 71.1855 -67.1707 67.2859 32.7468 90.7429 82.5382 PRESSAVG: 3979200 41.1771 -10.9659 48.903 -10.9658 -16.2419 46.9822 48.9031 46.9823 5.2538 GPRESSAVG: 3979200 41.2284 -10.9312 47.0595 -10.4314 -14.5365 47.0614 52.0635 46.7237 3.54166 TIMING: 3979200 CPU: 11564.5, 0.00290472/step Wall: 11564.5, 0.00290472/step, 0.823649 hours remaining, 208.402344 MB of memory in use. ENERGY: 3979200 741.4989 2080.6823 1934.2250 123.3580 -205995.8853 17731.5485 0.0000 0.0000 34334.0779 -149050.4948 299.8480 -183384.5727 -148945.5220 299.2315 -2.3983 30.0236 557246.9542 10.0630 10.0778 PRESSURE: 3979400 213.639 -168.126 -63.3563 -168.126 136.24 -8.60325 -63.3561 -8.60367 293.218 GPRESSURE: 3979400 342.249 -175.635 -29.7013 -108.774 144.998 24.2671 12.8643 8.84129 253.458 PRESSAVG: 3979400 42.0132 -26.5776 1.66947 -26.5775 -47.1087 19.248 1.66944 19.2482 -5.53578 GPRESSAVG: 3979400 41.03 -26.8378 3.00659 -25.74 -46.84 19.1205 0.798507 19.0291 -4.73276 TIMING: 3979400 CPU: 11565, 0.00289617/step Wall: 11565, 0.00289617/step, 0.821065 hours remaining, 208.402344 MB of memory in use. ENERGY: 3979400 707.4090 2147.0196 1977.9152 110.2947 -206034.5035 17979.5389 0.0000 0.0000 34109.2422 -149003.0840 297.8845 -183112.3262 -148908.7752 299.1585 214.3653 246.9018 555711.2162 -3.5438 -3.5142 PRESSURE: 3979600 86.9896 39.3282 -63.0271 39.3277 -146.043 67.5149 -63.028 67.5157 -9.62133 GPRESSURE: 3979600 119.304 -44.5975 -175.017 117.831 -96.8767 22.7777 -78.3937 40.2098 12.2498 PRESSAVG: 3979600 51.8861 4.61874 -26.3491 4.61866 -39.4925 21.7228 -26.3491 21.7228 1.50677 GPRESSAVG: 3979600 51.1036 1.55145 -27.0042 6.68422 -39.7943 22.5923 -27.176 21.1165 2.09529 TIMING: 3979600 CPU: 11565.6, 0.00291992/step Wall: 11565.6, 0.00291992/step, 0.827635 hours remaining, 208.402344 MB of memory in use. ENERGY: 3979600 775.4407 2134.9024 1960.7365 108.9936 -205730.4331 17701.5011 0.0000 0.0000 34180.8503 -148868.0084 298.5099 -183048.8587 -148768.4603 299.9385 -22.8915 11.5591 557852.8729 4.6335 4.4682 PRESSURE: 3979800 119.506 2.68671 -13.5282 2.68625 80.7371 -62.9539 -13.528 -62.9532 50.3682 GPRESSURE: 3979800 146.075 4.2026 -84.2617 -6.95471 80.0354 -101.039 44.4745 -77.0381 124.614 PRESSAVG: 3979800 53.938 -102.653 -8.27078 -102.653 -3.19614 26.7391 -8.27084 26.7391 -39.9379 GPRESSAVG: 3979800 54.9679 -101.915 -8.44232 -104.985 -2.3805 24.7064 -7.39615 28.0808 -41.6038 TIMING: 3979800 CPU: 11566.2, 0.0029022/step Wall: 11566.2, 0.0029022/step, 0.822452 hours remaining, 208.402344 MB of memory in use. ENERGY: 3979800 755.3845 2110.7963 1951.2156 113.8218 -206029.8981 18017.5155 0.0000 0.0000 34252.3819 -148828.7825 299.1346 -183081.1644 -148725.7494 299.2648 83.5373 116.9079 558802.8442 3.6013 3.6612 PRESSURE: 3980000 -275.217 21.9899 -77.6507 21.99 67.5828 32.1968 -77.6503 32.1967 -360.05 GPRESSURE: 3980000 -219.796 44.9334 -127.734 83.1818 74.4105 30.859 -73.211 -2.57232 -318.49 PRESSAVG: 3980000 28.4225 -18.1466 8.61259 -18.1465 16.3662 -49.9273 8.61266 -49.9272 -43.1347 GPRESSAVG: 3980000 28.0042 -16.7874 7.66442 -17.6978 16.0398 -45.1357 7.0815 -51.2524 -42.4904 TIMING: 3980000 CPU: 11566.8, 0.00290015/step Wall: 11566.8, 0.00290015/step, 0.821709 hours remaining, 208.402344 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: 3980000 710.5861 2052.0107 1955.7132 115.1088 -205579.8684 17604.2756 0.0000 0.0000 34226.8170 -148915.3570 298.9113 -183142.1740 -148818.1513 300.1025 -189.2282 -154.6252 559705.2135 0.5513 0.5179 PRESSURE: 3980200 -40.6382 -48.5389 60.0059 -48.5387 -147.329 -19.0634 60.0054 -19.0617 -236.867 GPRESSURE: 3980200 -17.0255 63.5719 41.0017 -132.168 -108.187 -34.9822 93.5276 22.9878 -208.209 PRESSAVG: 3980200 -6.89475 -21.3829 -32.0125 -21.3828 13.2846 -31.1436 -32.0125 -31.1435 -49.1948 GPRESSAVG: 3980200 -7.78571 -20.3278 -30.1917 -22.6356 13.1641 -34.718 -32.4189 -30.1676 -47.7411 TIMING: 3980200 CPU: 11567.4, 0.00287737/step Wall: 11567.4, 0.00287737/step, 0.815096 hours remaining, 208.402344 MB of memory in use. ENERGY: 3980200 713.9111 2047.7138 1939.5731 107.1250 -206037.1733 17705.7655 0.0000 0.0000 34512.1199 -149010.9649 301.4029 -183523.0848 -148913.6271 299.7216 -141.6117 -111.1404 559965.3459 -14.2683 -14.1209 LDB: ============= START OF LOAD BALANCING ============== 11570.8 LDB: ============== END OF LOAD BALANCING =============== 11570.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11570.8 LDB: ============= START OF LOAD BALANCING ============== 11571.1 LDB: Largest compute 4848 load 0.027319 is 23.2% of average load 0.117776 LDB: Average compute 0.001735 is 1.5% of average load 0.117776 LDB: TIME 11571.1 LOAD: AVG 0.117776 MAX 0.182438 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.871 MB LDB: TIME 11571.1 LOAD: AVG 0.117776 MAX 0.182438 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: TIME 11571.1 LOAD: AVG 0.117776 MAX 0.182438 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: ============== END OF LOAD BALANCING =============== 11571.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11571.1 PRESSURE: 3980400 176.924 69.9179 217.232 69.9187 130.121 -107.694 217.232 -107.695 30.054 GPRESSURE: 3980400 169.985 105.659 274.485 131.469 140.971 -93.1991 201.405 -86.0056 114.475 PRESSAVG: 3980400 -20.4781 41.3309 -8.05253 41.3309 -6.21683 -22.9882 -8.05267 -22.9883 8.00454 GPRESSAVG: 3980400 -19.7228 40.5484 -8.34797 41.0836 -4.70301 -24.7934 -8.63459 -20.645 5.93963 TIMING: 3980400 CPU: 11567.9, 0.00296886/step Wall: 11567.9, 0.00296886/step, 0.840847 hours remaining, 206.894531 MB of memory in use. ENERGY: 3980400 720.1513 2099.9791 1948.3118 103.3436 -206051.1942 17936.2006 0.0000 0.0000 34325.6187 -148917.5891 299.7742 -183243.2078 -148819.3271 299.6066 112.3663 141.8104 558418.0719 -6.2301 -6.1621 PRESSURE: 3980600 200.513 93.6453 -30.4509 93.6454 146.778 -18.8273 -30.4501 -18.8269 191.803 GPRESSURE: 3980600 255.733 82.3915 -114.349 102.48 181.826 -14.8713 -6.88682 -87.3534 203.067 PRESSAVG: 3980600 -0.138578 57.775 -13.3891 57.7751 114.397 -60.5493 -13.3891 -60.5492 -84.0698 GPRESSAVG: 3980600 1.10972 58.0949 -12.9183 56.2413 111.489 -57.2565 -13.9272 -62.0978 -82.6404 TIMING: 3980600 CPU: 11568.5, 0.00290563/step Wall: 11568.5, 0.00290563/step, 0.822779 hours remaining, 206.894531 MB of memory in use. ENERGY: 3980600 710.7422 2078.2300 1950.0533 111.0817 -206451.1301 18144.3165 0.0000 0.0000 34511.2705 -148945.4358 301.3955 -183456.7063 -148847.1198 299.9245 179.6981 213.5422 558812.3449 10.0630 9.9860 PRESSURE: 3980800 241.213 104.475 -49.2471 104.475 11.4372 21.6994 -49.2465 21.6985 404.388 GPRESSURE: 3980800 340.724 135.039 -26.6829 140.355 31.1919 -46.8016 -148.088 58.4614 389.457 PRESSAVG: 3980800 32.2135 -42.9296 16.6194 -42.9296 -13.346 16.229 16.6193 16.229 -5.40382 GPRESSAVG: 3980800 31.2965 -43.3311 15.5937 -39.0748 -11.579 15.2872 20.9118 14.8843 -6.1236 TIMING: 3980800 CPU: 11569.1, 0.00290284/step Wall: 11569.1, 0.00290284/step, 0.821826 hours remaining, 206.894531 MB of memory in use. ENERGY: 3980800 732.1649 2066.1782 1964.0519 104.5219 -206275.9375 18086.1145 0.0000 0.0000 34413.5481 -148909.3581 300.5421 -183322.9062 -148806.0966 301.0067 219.0127 253.7910 557015.1813 4.4879 4.5313 PRESSURE: 3981000 -90.2449 -71.1924 26.3045 -71.1919 -153.083 96.6891 26.3054 96.69 -220.011 GPRESSURE: 3981000 -50.4135 -0.0945442 -71.2885 -73.484 -149.114 20.1892 72.9054 134.107 -183.695 PRESSAVG: 3981000 -8.1822 33.4907 -3.37352 33.4908 -65.7694 -28.2171 -3.37352 -28.217 62.6163 GPRESSAVG: 3981000 -8.69278 34.1514 -3.40695 32.5643 -66.1823 -28.9554 -4.50389 -24.5215 63.035 TIMING: 3981000 CPU: 11569.7, 0.00291449/step Wall: 11569.7, 0.00291449/step, 0.824961 hours remaining, 206.894531 MB of memory in use. ENERGY: 3981000 744.1943 2160.9425 1958.1544 104.5458 -206003.3786 17648.0157 0.0000 0.0000 34426.1501 -148961.3758 300.6521 -183387.5259 -148854.1180 300.4620 -154.4464 -127.7406 558624.5217 -3.7784 -3.9467 PRESSURE: 3981200 -170.618 112.157 83.6047 112.157 -198.263 61.3868 83.6026 61.3884 -339.693 GPRESSURE: 3981200 -170.92 38.8063 -7.22314 199.139 -186.944 30.0952 34.8748 47.9562 -253.274 PRESSAVG: 3981200 41.9603 5.5719 -51.5293 5.57184 -17.9608 -5.46322 -51.5293 -5.46325 -43.8251 GPRESSAVG: 3981200 42.4743 3.97807 -53.1943 6.35097 -18.6695 -3.8433 -52.9783 -8.27301 -44.0192 TIMING: 3981200 CPU: 11570.3, 0.00291409/step Wall: 11570.3, 0.00291409/step, 0.824688 hours remaining, 206.894531 MB of memory in use. ENERGY: 3981200 763.9425 2092.3343 1959.6609 110.4655 -205925.2018 17640.0084 0.0000 0.0000 34283.4331 -149075.3571 299.4057 -183358.7902 -148982.6410 299.8790 -236.1915 -203.7125 558940.3261 -6.6086 -6.7381 PRESSURE: 3981400 -127.209 136.253 156.962 136.253 -132.474 185.824 156.96 185.824 -244.589 GPRESSURE: 3981400 -96.813 70.5128 143.625 183.671 -84.1456 158.137 75.2716 189.175 -216.022 PRESSAVG: 3981400 11.3678 -2.95907 54.8569 -2.95888 -47.3849 11.6003 54.8569 11.6004 36.3889 GPRESSAVG: 3981400 10.0828 -2.04148 56.9378 -3.76594 -46.8518 7.09425 54.508 11.1171 37.7992 TIMING: 3981400 CPU: 11570.9, 0.00289865/step Wall: 11570.9, 0.00289865/step, 0.820158 hours remaining, 206.894531 MB of memory in use. ENERGY: 3981400 794.7449 2067.4373 1924.2221 114.4794 -206254.5130 17810.8758 0.0000 0.0000 34611.8348 -148930.9187 302.2738 -183542.7535 -148831.6358 300.5571 -168.0906 -132.3267 558357.3416 0.1239 0.3434 PRESSURE: 3981600 4.50507 50.3755 -9.19864 50.3763 84.3888 16.6927 -9.19881 16.6923 -38.3775 GPRESSURE: 3981600 47.2536 54.0062 45.6388 42.6792 97.9253 -10.4736 -6.09891 -49.2718 10.6883 PRESSAVG: 3981600 -56.2261 -38.6339 51.4998 -38.6339 51.0984 21.4581 51.4998 21.4582 15.1659 GPRESSAVG: 3981600 -55.598 -38.177 52.5424 -38.7842 50.7299 22.7598 51.9077 21.9034 15.4542 TIMING: 3981600 CPU: 11571.4, 0.00289627/step Wall: 11571.4, 0.00289627/step, 0.819323 hours remaining, 206.894531 MB of memory in use. ENERGY: 3981600 712.2189 2087.9488 1950.6063 114.2186 -206043.0418 17822.0382 0.0000 0.0000 34341.4314 -149014.5796 299.9123 -183356.0110 -148921.2519 299.7253 16.8388 51.9557 559537.8905 3.3461 3.5287 PRESSURE: 3981800 -108.9 52.613 -38.5987 52.6134 -125.089 44.8551 -38.5987 44.8551 -152.013 GPRESSURE: 3981800 -72.4107 98.8144 -100.188 -33.5699 -85.4783 140.625 -59.9119 -49.1786 -121.78 PRESSAVG: 3981800 13.389 -30.1119 26.7786 -30.1119 -0.861889 10.6571 26.7787 10.657 -15.5689 GPRESSAVG: 3981800 14.5579 -30.9893 24.0162 -29.0678 -1.17588 13.155 28.5395 11.3028 -16.2615 TIMING: 3981800 CPU: 11572, 0.00289937/step Wall: 11572, 0.00289937/step, 0.82004 hours remaining, 206.894531 MB of memory in use. ENERGY: 3981800 745.8072 2097.7221 1954.5460 107.0453 -206413.7765 17959.9419 0.0000 0.0000 34556.8708 -148991.8433 301.7937 -183548.7141 -148896.7537 299.9781 -128.6676 -93.2230 559360.1084 -1.0139 -0.9598 PRESSURE: 3982000 -84.1815 83.3049 -56.119 83.3041 140.959 48.9801 -56.1187 48.98 55.5597 GPRESSURE: 3982000 -78.6127 33.883 -49.9854 111.214 191.871 35.8901 -46.4449 48.3396 96.0588 PRESSAVG: 3982000 -69.9909 3.50271 -20.8701 3.50277 -8.77818 12.0009 -20.87 12.0011 36.4939 GPRESSAVG: 3982000 -71.4745 2.15409 -19.3444 2.68764 -7.8515 10.1909 -23.9144 11.2649 37.582 TIMING: 3982000 CPU: 11572.6, 0.00290495/step Wall: 11572.6, 0.00290495/step, 0.821455 hours remaining, 206.894531 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: 3982000 745.9022 2038.2996 1941.8245 117.5764 -206226.3075 17936.9585 0.0000 0.0000 34433.3940 -149012.3524 300.7154 -183445.7464 -148922.0649 299.7981 37.4457 69.7725 557852.7125 -14.0917 -13.9147 PRESSURE: 3982200 -251.291 56.8561 -101.509 56.8565 -327.171 91.1463 -101.508 91.1452 -168.798 GPRESSURE: 3982200 -207.299 -12.7815 -210.007 104.761 -299.149 116.12 -99.1232 85.9772 -148.752 PRESSAVG: 3982200 -36.0346 24.0011 -34.8471 24.001 35.0458 28.677 -34.8471 28.6769 28.2594 GPRESSAVG: 3982200 -34.2986 25.1628 -36.5083 24.9657 34.0733 29.8807 -31.4046 29.1084 27.3936 TIMING: 3982200 CPU: 11573.2, 0.00291552/step Wall: 11573.2, 0.00291552/step, 0.824281 hours remaining, 206.894531 MB of memory in use. ENERGY: 3982200 770.4281 2090.0004 1946.9223 112.3371 -205644.2922 17388.4162 0.0000 0.0000 34263.6785 -149072.5096 299.2332 -183336.1881 -148971.7827 300.1692 -249.0869 -218.4000 556975.7946 9.0902 9.0561 PRESSURE: 3982400 294.638 -86.9747 -75.0803 -86.9737 -287.121 20.0779 -75.0795 20.0776 -140.532 GPRESSURE: 3982400 335.014 -94.5302 -77.8213 -65.6244 -211.528 -119.588 -65.9928 73.9955 -147.422 PRESSAVG: 3982400 31.295 22.0365 -73.0752 22.0364 -3.66147 -8.19437 -73.0754 -8.19444 25.5877 GPRESSAVG: 3982400 29.4067 21.7344 -73.3571 22.4774 -2.0364 -7.50644 -74.6111 -9.27877 25.4084 TIMING: 3982400 CPU: 11573.8, 0.00291872/step Wall: 11573.8, 0.00291872/step, 0.825026 hours remaining, 206.894531 MB of memory in use. ENERGY: 3982400 747.0427 2067.6091 1953.2606 115.5618 -206155.4125 17920.2057 0.0000 0.0000 34300.3420 -149051.3905 299.5534 -183351.7325 -148955.6735 299.8368 -44.3383 -7.9787 558832.4418 17.7404 17.5929 PRESSURE: 3982600 -288.214 39.3036 22.4193 39.3036 6.51692 100.83 22.4194 100.829 -165.555 GPRESSURE: 3982600 -297.843 75.9267 29.1374 38.6107 15.9963 147.207 54.1313 71.4342 -79.4715 PRESSAVG: 3982600 77.9321 21.8685 -29.4924 21.8686 -14.2028 49.5789 -29.4924 49.5787 -8.40021 GPRESSAVG: 3982600 78.422 21.8718 -26.2366 20.1887 -14.9979 49.0079 -28.3543 50.8581 -7.79037 TIMING: 3982600 CPU: 11574.3, 0.00293041/step Wall: 11574.3, 0.00293041/step, 0.828167 hours remaining, 206.894531 MB of memory in use. ENERGY: 3982600 768.3039 2121.4798 1976.8274 114.4087 -205846.5605 17612.1243 0.0000 0.0000 34170.0190 -149083.3974 298.4153 -183253.4164 -148986.3407 299.6598 -149.0839 -120.4394 559769.8755 18.4430 18.5446 PRESSURE: 3982800 -8.96683 25.719 -13.9701 25.7176 212.526 76.3266 -13.9716 76.3254 112.622 GPRESSURE: 3982800 -5.76326 26.7583 37.6918 9.18552 266.341 82.4566 -56.2404 144.066 149.376 PRESSAVG: 3982800 -32.2304 -3.02625 12.3478 -3.0263 79.8887 9.37039 12.3479 9.37042 4.03043 GPRESSAVG: 3982800 -32.5074 -2.06513 9.43744 -2.5626 79.9378 8.38126 13.354 11.9669 4.13012 TIMING: 3982800 CPU: 11574.9, 0.00290241/step Wall: 11574.9, 0.00290241/step, 0.820092 hours remaining, 207.046875 MB of memory in use. ENERGY: 3982800 746.1269 2090.4739 1982.4575 114.4507 -205975.5728 17806.8783 0.0000 0.0000 34114.9314 -149120.2541 297.9342 -183235.1855 -149027.8046 299.7205 105.3938 136.6510 556641.7849 17.2296 17.1868 PRESSURE: 3983000 -130.168 -70.7157 98.0052 -70.715 -44.2099 -78.5031 98.0048 -78.5031 -57.9595 GPRESSURE: 3983000 -77.6502 -102.869 101.093 -67.4638 -47.6594 -29.6819 120.386 -137.771 -5.43215 PRESSAVG: 3983000 -36.97 14.2688 24.6041 14.2688 37.0135 -35.5694 24.6041 -35.5694 33.9223 GPRESSAVG: 3983000 -35.2688 12.2605 26.8581 16.5983 36.39 -35.1443 24.8393 -38.5474 33.7672 TIMING: 3983000 CPU: 11575.5, 0.00290065/step Wall: 11575.5, 0.00290065/step, 0.819435 hours remaining, 207.046875 MB of memory in use. ENERGY: 3983000 788.4813 2083.5719 1948.3367 121.1426 -206233.5806 17849.5745 0.0000 0.0000 34255.2121 -149187.2615 299.1593 -183442.4736 -149094.4664 299.7618 -77.4457 -43.5806 558123.2381 11.3219 11.6295 PRESSURE: 3983200 89.5748 0.474801 -106.462 0.474975 272.112 83.1437 -106.463 83.1439 396.432 GPRESSURE: 3983200 137.504 40.7343 -106.055 -35.8588 312.346 115.201 -57.329 17.4134 399.599 PRESSAVG: 3983200 2.16126 15.2079 1.70606 15.208 -28.0904 -18.0474 1.70605 -18.0473 29.6983 GPRESSAVG: 3983200 2.4382 18.7353 1.81456 11.0687 -27.5959 -16.3909 -0.518957 -17.7437 29.3306 TIMING: 3983200 CPU: 11576.1, 0.00291729/step Wall: 11576.1, 0.00291729/step, 0.823973 hours remaining, 207.046875 MB of memory in use. ENERGY: 3983200 751.8033 2088.6288 1936.5199 116.7598 -206290.9595 18049.2884 0.0000 0.0000 34410.9934 -148936.9660 300.5198 -183347.9594 -148841.1220 299.5026 252.7062 283.1501 557556.6766 1.2564 1.3910 PRESSURE: 3983400 -16.9155 74.1055 -33.7294 74.1059 -14.338 127.28 -33.7286 127.281 112.447 GPRESSURE: 3983400 10.8877 113.362 -11.7639 -8.48959 47.7005 92.8276 17.8349 173.922 115.117 PRESSAVG: 3983400 -21.816 67.772 -1.34857 67.7721 -41.4477 -26.4664 -1.34847 -26.4664 52.2325 GPRESSAVG: 3983400 -23.3162 64.7272 -0.875696 70.7367 -40.501 -28.1143 -1.90689 -25.5003 52.779 TIMING: 3983400 CPU: 11576.7, 0.00291736/step Wall: 11576.7, 0.00291736/step, 0.82383 hours remaining, 207.046875 MB of memory in use. ENERGY: 3983400 747.4578 2152.5638 1930.8828 120.4678 -205998.9965 17753.2405 0.0000 0.0000 34361.1436 -148933.2402 300.0844 -183294.3838 -148827.0563 300.0718 27.0646 57.9018 557573.2902 -3.6771 -3.6794 PRESSURE: 3983600 -69.2024 -7.2315 227.632 -7.2311 -149.854 -55.0884 227.631 -55.0883 -55.7104 GPRESSURE: 3983600 -69.4596 112.476 269.91 -127.626 -125.474 4.50186 109.822 -93.703 11.4509 PRESSAVG: 3983600 24.8438 59.2156 19.1153 59.2155 -17.4572 0.783663 19.1153 0.783719 13.7629 GPRESSAVG: 3983600 23.7756 59.2328 19.5359 58.3938 -17.3696 2.14219 20.2143 -1.51411 15.0436 TIMING: 3983600 CPU: 11577.3, 0.00291117/step Wall: 11577.3, 0.00291117/step, 0.821921 hours remaining, 207.046875 MB of memory in use. ENERGY: 3983600 745.7963 2085.3032 1957.0301 113.5965 -205739.1374 17589.1281 0.0000 0.0000 34410.3908 -148837.8925 300.5145 -183248.2833 -148739.1652 300.6997 -91.5889 -61.1610 558616.6337 7.0498 7.1499 PRESSURE: 3983800 37.6679 -37.1102 93.2139 -37.1103 -4.18919 -44.007 93.2145 -44.009 120.019 GPRESSURE: 3983800 82.4598 -82.1459 165.538 -18.0122 52.0435 -79.3847 29.5376 -26.241 107.327 PRESSAVG: 3983800 -26.1739 8.59745 -18.4973 8.59742 -0.589554 13.8229 -18.4973 13.8228 32.9715 GPRESSAVG: 3983800 -24.0574 9.17387 -18.2038 8.9751 -0.683688 14.7399 -18.4467 15.8569 31.1933 TIMING: 3983800 CPU: 11577.8, 0.00290921/step Wall: 11577.8, 0.00290921/step, 0.821206 hours remaining, 207.046875 MB of memory in use. ENERGY: 3983800 725.2541 2086.6291 1965.1506 98.8757 -206251.6082 18054.5888 0.0000 0.0000 34374.3239 -148946.7861 300.1995 -183321.1100 -148849.7645 300.6964 51.1659 80.6101 558410.7891 2.0694 2.1508 PRESSURE: 3984000 438.126 -38.8625 140.202 -38.8631 36.6783 -159.377 140.203 -159.377 -8.64379 GPRESSURE: 3984000 521.813 -102.208 138.789 -63.3659 61.7547 -196.22 235.573 -162.731 -14.4291 PRESSAVG: 3984000 41.7771 2.56792 10.4521 2.56785 -39.301 -0.00873872 10.4521 -0.00882719 22.4399 GPRESSAVG: 3984000 42.0393 3.49133 9.75874 2.5076 -39.9875 -3.31113 11.2019 0.527574 22.7206 TIMING: 3984000 CPU: 11578.4, 0.00287703/step Wall: 11578.4, 0.00287703/step, 0.811961 hours remaining, 207.046875 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: 3984000 776.7070 2135.6638 1973.1881 117.1782 -206637.6206 18224.9917 0.0000 0.0000 34389.4204 -149020.4715 300.3314 -183409.8919 -148926.3148 299.7820 155.3867 189.7127 557207.1244 8.3053 8.2575 PRESSURE: 3984200 -255.666 -130.764 102.839 -130.764 -14.8172 -81.7839 102.839 -81.7839 32.4718 GPRESSURE: 3984200 -181.469 -120.105 98.5591 -119.798 13.5487 -94.101 131.508 -33.6884 17.5409 PRESSAVG: 3984200 59.5371 -3.78244 1.82338 -3.78237 -50.8767 -14.2778 1.82335 -14.2778 -22.5813 GPRESSAVG: 3984200 58.9346 -4.84544 1.54676 -2.88945 -49.5755 -13.1951 2.12809 -16.5974 -23.2488 TIMING: 3984200 CPU: 11579, 0.00289386/step Wall: 11579, 0.00289386/step, 0.81655 hours remaining, 207.046875 MB of memory in use. ENERGY: 3984200 734.9818 2089.7040 1966.3684 129.9435 -206140.5732 17949.8913 0.0000 0.0000 34221.4284 -149048.2557 298.8642 -183269.6842 -148954.7299 299.7601 -79.3372 -50.1265 557336.8697 -4.6403 -4.6299 LDB: ============= START OF LOAD BALANCING ============== 11582.5 LDB: ============== END OF LOAD BALANCING =============== 11582.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11582.5 LDB: ============= START OF LOAD BALANCING ============== 11582.7 LDB: Largest compute 4848 load 0.030315 is 25.7% of average load 0.117761 LDB: Average compute 0.001747 is 1.5% of average load 0.117761 LDB: TIME 11582.7 LOAD: AVG 0.117761 MAX 0.182138 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.953 MB LDB: TIME 11582.7 LOAD: AVG 0.117761 MAX 0.182138 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.156 MB LDB: TIME 11582.7 LOAD: AVG 0.117761 MAX 0.182138 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11582.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11582.8 PRESSURE: 3984400 99.9577 -100.574 60.9757 -100.573 182.556 -19.4265 60.9757 -19.4258 270.582 GPRESSURE: 3984400 95.2459 -189.691 20.8774 -120.157 200.679 2.77458 -30.8392 -37.6358 332.522 PRESSAVG: 3984400 -17.4683 -27.0893 -9.85859 -27.0893 9.72058 21.5487 -9.85868 21.5489 1.89171 GPRESSAVG: 3984400 -16.9186 -28.7631 -11.0361 -26.2991 8.7838 22.7343 -10.6793 21.2122 2.94532 TIMING: 3984400 CPU: 11579.6, 0.00294491/step Wall: 11579.6, 0.00294491/step, 0.830792 hours remaining, 206.351562 MB of memory in use. ENERGY: 3984400 710.3477 2168.1658 1963.0043 104.5132 -206171.2954 17913.6459 0.0000 0.0000 34376.8032 -148934.8154 300.2212 -183311.6186 -148828.9975 299.1723 184.3652 209.4823 556198.8765 -1.9520 -1.7298 PRESSURE: 3984600 179.17 -11.9962 -5.68261 -11.9962 -156.414 -104.507 -5.68317 -104.508 -29.6176 GPRESSURE: 3984600 231.324 -39.5366 65.2101 -5.37516 -145.25 -61.8634 -62.2612 -45.1212 17.0592 PRESSAVG: 3984600 -12.6245 -57.3356 8.17436 -57.3357 -2.94204 -49.3321 8.1744 -49.3318 27.1177 GPRESSAVG: 3984600 -12.8844 -55.0423 9.35815 -59.2461 -1.92644 -50.018 6.46582 -48.6563 26.1137 TIMING: 3984600 CPU: 11580.2, 0.00290946/step Wall: 11580.2, 0.00290946/step, 0.820631 hours remaining, 206.351562 MB of memory in use. ENERGY: 3984600 759.7073 2069.8079 1956.7489 109.0271 -206083.7824 17781.4035 0.0000 0.0000 34455.8060 -148951.2818 300.9111 -183407.0877 -148859.9887 300.5375 -2.2869 34.3780 557118.5865 3.8504 3.7676 PRESSURE: 3984800 12.3033 23.4189 -14.1588 23.4202 -137.321 16.7894 -14.159 16.7889 -110.971 GPRESSURE: 3984800 18.8527 -5.41673 -2.53347 78.6038 -75.391 -7.45666 -9.20493 -18.5954 -76.861 PRESSAVG: 3984800 28.9207 -9.21636 -48.1735 -9.21625 65.1615 -27.5056 -48.1735 -27.5055 1.03136 GPRESSAVG: 3984800 29.2605 -8.98807 -48.4806 -9.03114 64.3565 -29.5953 -46.9342 -25.6689 1.55223 TIMING: 3984800 CPU: 11580.7, 0.00289069/step Wall: 11580.7, 0.00289069/step, 0.815176 hours remaining, 206.351562 MB of memory in use. ENERGY: 3984800 764.4389 2110.0093 1972.1874 96.3805 -206259.4343 17788.7272 0.0000 0.0000 34423.0817 -149104.6093 300.6253 -183527.6910 -149005.2942 300.4654 -78.6630 -44.4664 556103.8255 31.7045 31.7231 PRESSURE: 3985000 -437.779 27.559 -50.1938 27.5592 -6.14066 205.343 -50.1926 205.344 195.621 GPRESSURE: 3985000 -341.315 3.51895 -49.7364 -10.959 35.5114 75.7256 -53.1222 200.052 175.46 PRESSAVG: 3985000 7.93914 -8.18548 -15.8995 -8.18542 11.5855 33.6776 -15.8994 33.6778 -5.06709 GPRESSAVG: 3985000 7.86272 -7.48897 -15.1666 -8.40546 12.0005 36.851 -14.6098 29.636 -5.54699 TIMING: 3985000 CPU: 11581.3, 0.00288536/step Wall: 11581.3, 0.00288536/step, 0.813512 hours remaining, 206.351562 MB of memory in use. ENERGY: 3985000 721.3295 2123.6069 1969.5275 118.0040 -205984.0832 17637.3639 0.0000 0.0000 34214.6847 -149199.5668 298.8054 -183414.2515 -149096.7919 299.3301 -82.7663 -43.4478 558396.8786 4.8192 4.7721 PRESSURE: 3985200 234.909 -11.9682 69.0861 -11.969 71.5725 -85.5479 69.0854 -85.5489 -257.536 GPRESSURE: 3985200 251.966 -52.2209 27.3539 -99.7934 83.5031 -163.636 114.756 -8.7946 -184.24 PRESSAVG: 3985200 -15.7165 -18.0243 -31.62 -18.0243 32.2125 49.1198 -31.62 49.1199 -7.79663 GPRESSAVG: 3985200 -16.3864 -21.4243 -30.943 -16.9346 30.9187 48.8781 -33.8718 51.0239 -6.0914 TIMING: 3985200 CPU: 11581.9, 0.00289377/step Wall: 11581.9, 0.00289377/step, 0.815722 hours remaining, 206.351562 MB of memory in use. ENERGY: 3985200 766.7748 2128.2203 1946.6620 107.1845 -206258.1766 17925.6031 0.0000 0.0000 34155.0089 -149228.7231 298.2842 -183383.7320 -149138.0275 299.5377 16.3150 50.4099 558113.0925 2.8998 2.8136 PRESSURE: 3985400 -184.491 13.9331 54.763 13.9345 -58.4738 -98.7294 54.7623 -98.731 -90.1243 GPRESSURE: 3985400 -181.967 -26.1239 40.7429 93.8818 -18.1029 -21.0376 41.9504 -63.6925 -23.5723 PRESSAVG: 3985400 -6.96415 11.1989 2.34569 11.1988 19.5952 26.426 2.34563 26.4259 -32.323 GPRESSAVG: 3985400 -6.90201 12.5593 1.24499 10.3332 20.763 24.3624 3.37753 26.6402 -33.0472 TIMING: 3985400 CPU: 11582.5, 0.00288116/step Wall: 11582.5, 0.00288116/step, 0.812007 hours remaining, 206.351562 MB of memory in use. ENERGY: 3985400 747.9419 2129.3043 1952.4372 111.9636 -206386.1511 17859.0090 0.0000 0.0000 34382.6799 -149202.8152 300.2725 -183585.4951 -149113.7575 298.7928 -111.0296 -74.5474 558110.2611 -6.5640 -6.3954 PRESSURE: 3985600 183.159 70.4084 -73.8625 70.4085 280.826 -23.3511 -73.8622 -23.3491 187.74 GPRESSURE: 3985600 209.164 17.0023 -119.14 72.7673 354.178 -26.467 -90.6034 -29.3308 183.957 PRESSAVG: 3985600 -46.5238 -29.2545 -12.3957 -29.2545 53.001 48.0359 -12.3957 48.0359 27.6931 GPRESSAVG: 3985600 -44.9202 -29.4462 -11.0784 -29.3062 53.3123 49.0125 -12.9806 47.5311 26.7447 TIMING: 3985600 CPU: 11583.1, 0.00289585/step Wall: 11583.1, 0.00289585/step, 0.815986 hours remaining, 206.351562 MB of memory in use. ENERGY: 3985600 726.0719 2107.6875 1972.9194 106.6928 -206461.3878 18090.3928 0.0000 0.0000 34136.0182 -149321.6052 298.1183 -183457.6234 -149225.8188 299.0226 217.2415 249.0998 556650.1505 11.3901 11.7122 PRESSURE: 3985800 -281.614 -41.049 60.458 -41.0492 -273.745 72.3225 60.4574 72.3209 -698.566 GPRESSURE: 3985800 -219.028 -6.54065 -15.9131 -118.111 -318.127 112.624 69.0953 -21.8813 -620.014 PRESSAVG: 3985800 -20.7223 -23.7647 -26.0454 -23.7648 27.2606 61.7863 -26.0454 61.7862 -16.0975 GPRESSAVG: 3985800 -20.2694 -23.334 -27.3242 -25.0023 27.4612 64.3795 -23.9701 60.3075 -16.3323 TIMING: 3985800 CPU: 11583.6, 0.00289099/step Wall: 11583.6, 0.00289099/step, 0.814455 hours remaining, 206.351562 MB of memory in use. ENERGY: 3985800 760.9460 2100.2373 1954.0224 110.9276 -205826.4599 17266.4415 0.0000 0.0000 34239.2958 -149394.5893 299.0203 -183633.8851 -149292.5673 298.5090 -417.9746 -385.7233 559697.0842 -3.1864 -3.0468 PRESSURE: 3986000 -308.045 -21.3754 46.3661 -21.3766 -164.924 -59.7989 46.3655 -59.7987 390.92 GPRESSURE: 3986000 -197.173 -35.7584 -14.921 46.6883 -132.082 -32.9676 112.561 -41.0752 359.046 PRESSAVG: 3986000 19.3678 37.6082 -22.6619 37.6081 19.7943 12.3178 -22.6619 12.3179 22.3522 GPRESSAVG: 3986000 18.1896 39.0123 -23.3517 37.5839 19.324 10.3573 -23.5678 13.3563 24.497 TIMING: 3986000 CPU: 11584.2, 0.00289552/step Wall: 11584.2, 0.00289552/step, 0.815571 hours remaining, 206.351562 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: 3986000 794.7972 2081.8749 1956.4139 113.7995 -206405.4693 17777.9382 0.0000 0.0000 34232.6155 -149448.0300 298.9619 -183680.6455 -149343.9537 298.9772 -27.3498 9.9302 555676.4814 20.5048 20.6702 PRESSURE: 3986200 221.535 134.083 -82.332 134.083 252.85 -8.77671 -82.3338 -8.77501 352.721 GPRESSURE: 3986200 217.183 162.315 -61.0661 111.333 322.1 -25.918 -34.3843 24.3353 363.089 PRESSAVG: 3986200 -33.4767 33.6246 -52.8974 33.6247 12.3796 70.6353 -52.8974 70.6353 2.51653 GPRESSAVG: 3986200 -33.4371 34.6296 -52.3215 34.487 13.2016 69.8925 -52.2562 70.2854 1.71259 TIMING: 3986200 CPU: 11584.8, 0.00290943/step Wall: 11584.8, 0.00290943/step, 0.819328 hours remaining, 206.351562 MB of memory in use. ENERGY: 3986200 744.3157 2113.4998 1962.1037 104.6489 -206875.0319 18098.7852 0.0000 0.0000 34249.4817 -149602.1970 299.1092 -183851.6786 -149508.3236 298.7976 275.7019 300.7907 555331.1152 -6.1935 -6.1743 PRESSURE: 3986400 23.4508 100.923 -16.1669 100.923 -164.294 23.021 -16.1678 23.0218 -55.2022 GPRESSURE: 3986400 -6.85517 85.2096 -23.5703 209.146 -73.8926 35.0634 -76.1923 24.0428 -31.878 PRESSAVG: 3986400 -43.1771 4.27137 -34.0191 4.27133 44.4756 38.1723 -34.0192 38.1723 -2.1902 GPRESSAVG: 3986400 -41.8305 3.63013 -34.2621 3.78258 42.6284 38.2088 -36.2592 37.9464 -1.9304 TIMING: 3986400 CPU: 11585.4, 0.00290531/step Wall: 11585.4, 0.00290531/step, 0.818006 hours remaining, 206.351562 MB of memory in use. ENERGY: 3986400 730.5224 2178.8390 1939.8352 120.2980 -206547.6633 17747.2767 0.0000 0.0000 34199.9139 -149630.9781 298.6764 -183830.8920 -149534.0152 298.9141 -65.3484 -37.5419 557114.8216 -0.2972 -0.3775 PRESSURE: 3986600 49.8817 67.9964 -82.4332 67.9965 -128.961 110.184 -82.433 110.184 -121.363 GPRESSURE: 3986600 61.687 95.7988 -143.68 113.178 -86.5386 180.388 -36.0934 51.4349 -91.099 PRESSAVG: 3986600 22.755 37.9388 -9.5999 37.9389 -51.9703 -52.0316 -9.6 -52.0315 61.9101 GPRESSAVG: 3986600 21.2575 37.2966 -6.85543 39.613 -50.2447 -50.6678 -9.85805 -51.832 61.8994 TIMING: 3986600 CPU: 11586, 0.00288941/step Wall: 11586, 0.00288941/step, 0.81337 hours remaining, 206.351562 MB of memory in use. ENERGY: 3986600 753.7832 2159.1920 1938.2736 114.2498 -206338.3797 17734.7738 0.0000 0.0000 34082.3187 -149555.7886 297.6494 -183638.1073 -149461.6828 298.7545 -66.8143 -38.6502 555869.3567 10.8983 10.9707 PRESSURE: 3986800 -240.702 -18.3887 -65.1827 -18.3885 -164.57 76.4876 -65.1831 76.4872 -112.345 GPRESSURE: 3986800 -187.835 -5.88606 -122.852 -39.0687 -128.675 29.746 -85.6289 117.691 -105.567 PRESSAVG: 3986800 17.2197 12.2003 -3.87962 12.2003 -52.5071 26.3736 -3.87962 26.3737 73.2122 GPRESSAVG: 3986800 18.1036 13.311 -5.6043 11.1811 -53.4179 27.2661 -1.80798 25.4686 73.1236 TIMING: 3986800 CPU: 11586.5, 0.00289509/step Wall: 11586.5, 0.00289509/step, 0.814807 hours remaining, 206.351562 MB of memory in use. ENERGY: 3986800 779.0392 2073.8049 1966.6201 109.9095 -206278.5117 17587.0166 0.0000 0.0000 34332.7615 -149429.3599 299.8365 -183762.1214 -149331.7121 298.3548 -172.5391 -140.6921 556545.1273 12.6416 12.6031 PRESSURE: 3987000 12.542 35.8454 44.5547 35.846 -213.054 -125.17 44.5546 -125.17 -338.485 GPRESSURE: 3987000 25.4508 10.8382 -17.6845 52.6798 -192.225 -185.534 35.2476 -106.343 -265.706 PRESSAVG: 3987000 9.70878 -58.7251 -35.4494 -58.7251 28.5455 -57.9693 -35.4494 -57.9694 -34.4781 GPRESSAVG: 3987000 8.06741 -57.3836 -34.7007 -58.5009 28.9636 -59.4041 -36.8298 -55.4287 -32.8286 TIMING: 3987000 CPU: 11587.1, 0.00289059/step Wall: 11587.1, 0.00289059/step, 0.81338 hours remaining, 206.351562 MB of memory in use. ENERGY: 3987000 764.7328 2096.9211 1926.8856 109.8254 -206112.8053 17576.5614 0.0000 0.0000 34005.2714 -149632.6076 296.9765 -183637.8790 -149533.6746 298.2601 -179.6657 -144.1600 556635.0812 1.2587 1.4008 PRESSURE: 3987200 -77.9344 22.875 -0.799103 22.8756 -325.429 -32.6727 -0.798264 -32.6727 -383.133 GPRESSURE: 3987200 -51.9113 3.21617 -24.1274 12.7768 -293.981 -7.96466 12.3583 -18.887 -338.043 PRESSAVG: 3987200 52.5828 -7.03307 -5.49448 -7.03302 -55.2456 -39.5676 -5.49454 -39.5677 58.5956 GPRESSAVG: 3987200 52.082 -9.33647 -5.19451 -7.49808 -54.1618 -40.2164 -5.08639 -38.3892 57.9197 TIMING: 3987200 CPU: 11587.7, 0.00290354/step Wall: 11587.7, 0.00290354/step, 0.816863 hours remaining, 206.351562 MB of memory in use. ENERGY: 3987200 794.0245 2077.9641 1951.2678 117.3347 -206367.0444 17674.0433 0.0000 0.0000 34043.8340 -149708.5759 297.3133 -183752.4099 -149616.0226 297.7296 -262.1654 -227.9782 557714.6442 18.6443 18.6133 PRESSURE: 3987400 -195.835 32.6091 -40.6816 32.6088 -117.96 114.519 -40.6821 114.52 47.858 GPRESSURE: 3987400 -206.707 -57.5953 51.5825 119.184 -61.8471 102.408 18.4965 115.732 106.293 PRESSAVG: 3987400 14.2465 8.48581 -21.2615 8.48571 -36.7049 -8.95297 -21.2615 -8.95297 26.6088 GPRESSAVG: 3987400 14.828 8.62927 -23.3571 9.11839 -36.7832 -7.82509 -20.9503 -9.90222 26.1361 TIMING: 3987400 CPU: 11588.3, 0.00287579/step Wall: 11588.3, 0.00287579/step, 0.808895 hours remaining, 206.351562 MB of memory in use. ENERGY: 3987400 764.9522 2091.2352 1953.3068 102.7653 -206439.0705 17593.1517 0.0000 0.0000 34356.9232 -149576.7360 300.0476 -183933.6593 -149475.2368 298.1591 -88.6457 -54.0871 556050.6107 1.3835 1.3937 PRESSURE: 3987600 122.499 17.1777 100.964 17.1772 -234.849 25.4358 100.964 25.4348 -387.633 GPRESSURE: 3987600 171.655 40.6546 210.649 -61.5825 -243.916 -11.1954 100.63 33.1069 -320.151 PRESSAVG: 3987600 55.1664 -22.0718 -49.7499 -22.0718 -67.3069 11.4475 -49.75 11.4474 1.65718 GPRESSAVG: 3987600 55.3182 -22.3252 -49.4407 -23.2315 -68.1947 11.1759 -51.0909 9.70815 2.69718 TIMING: 3987600 CPU: 11588.8, 0.00288862/step Wall: 11588.8, 0.00288862/step, 0.812343 hours remaining, 206.351562 MB of memory in use. ENERGY: 3987600 724.6799 2108.1061 1980.8427 113.0499 -206265.4459 17590.6725 0.0000 0.0000 34004.5845 -149743.5104 296.9705 -183748.0949 -149648.9602 297.4949 -166.6612 -130.8037 556402.0440 -3.4945 -3.3931 PRESSURE: 3987800 -158.721 51.1503 24.0127 51.1514 9.45791 47.29 24.0123 47.2901 17.9846 GPRESSURE: 3987800 -129.636 100.23 -28.2123 41.8948 50.1339 18.9798 85.1883 90.4604 40.9741 PRESSAVG: 3987800 46.6424 -44.3564 10.4686 -44.3564 37.6514 3.18287 10.4686 3.1829 -57.9196 GPRESSAVG: 3987800 45.1266 -45.7072 10.1736 -41.8047 38.5504 3.20913 11.6219 5.29696 -57.4018 TIMING: 3987800 CPU: 11589.4, 0.00289882/step Wall: 11589.4, 0.00289882/step, 0.815052 hours remaining, 206.351562 MB of memory in use. ENERGY: 3987800 738.0778 2142.8731 2005.1828 110.8104 -206251.3669 17699.2068 0.0000 0.0000 34079.3073 -149475.9086 297.6231 -183555.2159 -149386.5832 298.3253 -43.7594 -12.8426 557102.0387 8.7914 8.7584 PRESSURE: 3988000 175.042 -163.409 -119.524 -163.408 260.143 -141.446 -119.524 -141.446 86.3182 GPRESSURE: 3988000 200.639 -148.077 -44.4927 -144.043 266.761 -154.189 -102.486 -202.014 145.045 PRESSAVG: 3988000 -57.9045 18.9479 9.95957 18.948 31.9691 24.1626 9.95964 24.1625 25.8314 GPRESSAVG: 3988000 -56.0605 20.1265 11.5379 17.9085 31.3074 25.8988 9.86176 23.0927 25.0739 TIMING: 3988000 CPU: 11590, 0.00291343/step Wall: 11590, 0.00291343/step, 0.818997 hours remaining, 206.351562 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: 3988000 791.1588 2118.7213 1934.7686 102.4472 -206760.6060 18267.6093 0.0000 0.0000 34082.7165 -149463.1843 297.6528 -183545.9009 -149364.2073 298.2499 173.8344 204.1486 557861.3532 -0.0346 0.1069 PRESSURE: 3988200 -428.991 77.6694 -41.808 77.6678 -566.364 -105.805 -41.8072 -105.805 -198.936 GPRESSURE: 3988200 -391.913 90.6199 -39.3987 81.8865 -552.527 -134.576 -84.2073 -83.9487 -167.147 PRESSAVG: 3988200 34.0803 -4.58428 11.5631 -4.58422 -6.12975 5.52873 11.5631 5.52871 -11.4653 GPRESSAVG: 3988200 33.5286 -3.54384 11.4167 -6.00493 -5.9398 3.76755 11.7794 5.95517 -11.7226 TIMING: 3988200 CPU: 11590.6, 0.00289424/step Wall: 11590.6, 0.00289424/step, 0.813444 hours remaining, 206.351562 MB of memory in use. ENERGY: 3988200 741.3949 2138.9902 1951.1302 96.8000 -205919.5386 17418.6025 0.0000 0.0000 34241.9195 -149330.7010 299.0432 -183572.6206 -149231.1887 298.4910 -398.0969 -370.5293 560136.9324 5.4951 5.2887 LDB: ============= START OF LOAD BALANCING ============== 11594 LDB: ============== END OF LOAD BALANCING =============== 11594 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11594 LDB: ============= START OF LOAD BALANCING ============== 11594.3 LDB: Largest compute 4848 load 0.030513 is 25.9% of average load 0.117846 LDB: Average compute 0.001739 is 1.5% of average load 0.117846 LDB: TIME 11594.3 LOAD: AVG 0.117846 MAX 0.182361 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 11594.3 LOAD: AVG 0.117846 MAX 0.182361 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: TIME 11594.3 LOAD: AVG 0.117846 MAX 0.182361 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11594.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11594.3 PRESSURE: 3988400 93.3338 -21.6052 121.572 -21.6047 2.87804 66.2195 121.571 66.2192 20.5987 GPRESSURE: 3988400 133.189 47.2232 175.647 -122.223 -3.11113 123.763 104.417 33.3987 87.6163 PRESSAVG: 3988400 -26.5057 -1.47463 -3.60497 -1.4746 15.736 -18.8941 -3.6049 -18.8942 0.217141 GPRESSAVG: 3988400 -26.8997 -0.321475 -3.29534 -1.74355 16.5125 -18.9161 -2.6491 -19.4178 -0.371644 TIMING: 3988400 CPU: 11591.2, 0.00295173/step Wall: 11591.2, 0.00295173/step, 0.829435 hours remaining, 207.671875 MB of memory in use. ENERGY: 3988400 749.1069 2123.8481 1959.7111 114.6555 -206762.4590 18227.6023 0.0000 0.0000 34448.9370 -149138.5981 300.8511 -183587.5351 -149037.2754 299.2124 38.9369 72.5646 558291.5506 -3.5175 -3.5863 PRESSURE: 3988600 -290.249 -55.1493 36.9397 -55.1495 -196.985 -6.69923 36.9404 -6.69887 -16.7453 GPRESSURE: 3988600 -242.923 -74.8227 -23.3763 19.5991 -155.426 -1.04617 129.244 45.7546 -13.8785 PRESSAVG: 3988600 -99.7786 -6.23254 47.4852 -6.23254 39.9608 -17.4072 47.4853 -17.4071 22.2386 GPRESSAVG: 3988600 -99.9154 -7.38688 47.2264 -4.50086 39.0915 -17.3199 44.8513 -18.2355 22.6919 TIMING: 3988600 CPU: 11591.7, 0.00285715/step Wall: 11591.7, 0.00285715/step, 0.8027 hours remaining, 207.886719 MB of memory in use. ENERGY: 3988600 776.6531 2081.0330 1934.1503 124.0601 -206144.8227 17637.8263 0.0000 0.0000 34559.9956 -149031.1043 301.8210 -183591.0999 -148934.7446 299.4577 -167.9929 -137.4094 558387.9945 -12.5264 -12.7107 PRESSURE: 3988800 37.6974 -105.561 155.347 -105.558 -162.667 -193.439 155.347 -193.439 24.8231 GPRESSURE: 3988800 29.7814 -56.8288 80.9825 -66.0256 -68.1502 -175.006 135.851 -131.084 34.8445 PRESSAVG: 3988800 -40.1679 -37.4415 30.8466 -37.4415 10.528 -84.1821 30.8465 -84.1822 19.4018 GPRESSAVG: 3988800 -41.5117 -35.9817 31.6802 -38.9959 11.4953 -85.7059 31.0976 -81.1606 19.6355 TIMING: 3988800 CPU: 11592.3, 0.00289352/step Wall: 11592.3, 0.00289352/step, 0.812758 hours remaining, 207.886719 MB of memory in use. ENERGY: 3988800 756.8432 2078.1821 1957.8738 108.7497 -206095.6685 17760.7370 0.0000 0.0000 34197.1699 -149236.1128 298.6524 -183433.2827 -149137.8506 299.1816 -33.3821 -1.1747 557651.3670 -3.4127 -3.4603 PRESSURE: 3989000 54.134 16.4757 -75.6011 16.4756 -342.557 -48.555 -75.6019 -48.5546 119.775 GPRESSURE: 3989000 96.1775 15.5068 -142.669 26.8258 -296.36 -115.079 -2.44918 12.6879 151.407 PRESSAVG: 3989000 73.433 -27.2554 -20.2549 -27.2555 -5.22878 -27.8763 -20.2549 -27.8763 -29.1829 GPRESSAVG: 3989000 74.1766 -28.0837 -22.8886 -24.3157 -5.76624 -28.2575 -19.2217 -27.6538 -29.6871 TIMING: 3989000 CPU: 11592.9, 0.00289808/step Wall: 11592.9, 0.00289808/step, 0.813878 hours remaining, 207.886719 MB of memory in use. ENERGY: 3989000 757.8755 2134.3326 1974.1350 121.5607 -206155.6847 17768.4433 0.0000 0.0000 34108.7308 -149290.6068 297.8800 -183399.3376 -149194.7762 299.6949 -56.2161 -16.2585 557472.8384 13.0071 12.9078 PRESSURE: 3989200 190.913 -110.595 56.1423 -110.595 148.922 24.2796 56.1433 24.2784 84.2093 GPRESSURE: 3989200 208.349 -50.7304 10.8096 -221.227 188.218 23.184 63.4555 -1.49017 130.786 PRESSAVG: 3989200 -13.2018 -108.191 -32.0532 -108.191 8.12651 -21.2489 -32.0531 -21.249 7.31984 GPRESSAVG: 3989200 -12.5745 -108.988 -27.2058 -110.167 7.77776 -21.0364 -33.3794 -22.3969 7.35969 TIMING: 3989200 CPU: 11593.5, 0.00289685/step Wall: 11593.5, 0.00289685/step, 0.813372 hours remaining, 207.886719 MB of memory in use. ENERGY: 3989200 741.7989 2109.2166 1962.0014 111.1862 -206691.9606 18139.4725 0.0000 0.0000 34252.0690 -149376.2160 299.1318 -183628.2850 -149277.6244 298.7272 141.3482 175.7841 556368.3484 0.7482 0.8543 PRESSURE: 3989400 28.0254 -74.9275 -48.6785 -74.9282 13.2996 -93.1564 -48.6791 -93.1575 -169.479 GPRESSURE: 3989400 86.9538 -62.6959 19.1096 -81.9607 -17.2838 -109.276 -52.2189 -137.991 -106.249 PRESSAVG: 3989400 42.1435 -99.4396 -40.0148 -99.4395 -4.7066 -49.1222 -40.0148 -49.1222 -11.3819 GPRESSAVG: 3989400 42.3827 -101.476 -41.9611 -98.0828 -4.13047 -47.9705 -39.0724 -47.7729 -12.4111 TIMING: 3989400 CPU: 11594.1, 0.00291265/step Wall: 11594.1, 0.00291265/step, 0.817646 hours remaining, 207.886719 MB of memory in use. ENERGY: 3989400 743.9380 2137.9651 1967.8723 117.9653 -206449.2029 17954.8714 0.0000 0.0000 34346.1412 -149180.4496 299.9534 -183526.5908 -149090.9347 299.3382 -42.7181 -12.1929 558722.2803 8.6850 8.6137 PRESSURE: 3989600 -116.043 -74.8939 -105.852 -74.8938 118.664 -153.886 -105.852 -153.886 -5.28339 GPRESSURE: 3989600 -106.075 -92.2191 -78.6593 -24.9916 151.648 -165.61 -114.898 -138.915 56.563 PRESSAVG: 3989600 -42.5362 -69.2667 30.8282 -69.2668 23.4029 64.4085 30.8282 64.4086 24.9248 GPRESSAVG: 3989600 -42.6553 -66.4802 30.9155 -71.6817 22.6195 65.5229 30.7607 63.19 25.9987 TIMING: 3989600 CPU: 11594.6, 0.00290355/step Wall: 11594.6, 0.00290355/step, 0.814929 hours remaining, 207.886719 MB of memory in use. ENERGY: 3989600 763.8657 2112.0273 1956.3061 132.4055 -206521.5667 17902.1038 0.0000 0.0000 34445.2454 -149209.6130 300.8189 -183654.8585 -149110.3076 299.7547 -0.8876 34.0453 556918.5074 1.9305 1.9876 PRESSURE: 3989800 -70.5738 96.364 -129.764 96.3643 97.2373 -125.352 -129.763 -125.351 132.78 GPRESSURE: 3989800 -50.7172 103.256 -141.176 8.05028 124.353 -30.516 -95.8329 -58.2235 174.263 PRESSAVG: 3989800 -83.1581 -34.9849 0.423817 -34.9849 21.8903 39.9827 0.423765 39.9826 45.3272 GPRESSAVG: 3989800 -84.0995 -34.0786 1.37675 -35.2937 22.8878 39.4221 -0.133572 38.1666 44.6481 TIMING: 3989800 CPU: 11595.2, 0.00289349/step Wall: 11595.2, 0.00289349/step, 0.811946 hours remaining, 207.886719 MB of memory in use. ENERGY: 3989800 750.2204 2129.8471 1970.7509 118.6819 -206697.8525 18055.4788 0.0000 0.0000 34361.9752 -149310.8982 300.0917 -183672.8734 -149214.9329 299.4579 53.1480 82.6329 557021.4924 -5.3135 -5.5212 PRESSURE: 3990000 -295.714 2.7964 -158.473 2.79622 21.4741 -37.8274 -158.474 -37.8267 -78.316 GPRESSURE: 3990000 -270.829 43.7743 -149.2 -78.5091 61.2819 -41.6374 -137.256 -34.2573 -52.805 PRESSAVG: 3990000 -66.8784 64.75 -32.9391 64.7501 -15.873 10.1989 -32.939 10.1989 67.5981 GPRESSAVG: 3990000 -67.1142 62.3236 -34.6976 65.695 -17.039 7.71777 -33.332 12.0076 69.1278 TIMING: 3990000 CPU: 11595.8, 0.00288433/step Wall: 11595.8, 0.00288433/step, 0.809214 hours remaining, 207.886719 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: 3990000 715.6225 2076.9089 1982.9987 127.6852 -206471.6042 17766.2348 0.0000 0.0000 34297.5541 -149504.5999 299.5291 -183802.1541 -149403.7330 298.8062 -117.5186 -87.4506 557976.1689 -5.0511 -5.0085 PRESSURE: 3990200 -146.589 -85.8382 -33.5229 -85.8375 20.9143 47.4436 -33.5235 47.4457 23.5159 GPRESSURE: 3990200 -62.8198 -108.499 -123.337 -14.0637 43.1144 21.4035 -6.71887 96.0585 16.4164 PRESSAVG: 3990200 -46.2138 -38.8928 5.88705 -38.8928 8.72712 -15.8094 5.88706 -15.8094 37.5029 GPRESSAVG: 3990200 -45.5438 -37.9733 6.35709 -38.1922 7.90692 -13.6611 6.40553 -15.524 38.3554 TIMING: 3990200 CPU: 11596.4, 0.00290092/step Wall: 11596.4, 0.00290092/step, 0.813708 hours remaining, 207.886719 MB of memory in use. ENERGY: 3990200 739.1108 2074.8391 1976.5718 103.5973 -206304.8708 17799.4154 0.0000 0.0000 34163.0027 -149448.3338 298.3540 -183611.3365 -149361.2100 298.3442 -34.0529 -1.0963 558255.7040 0.0054 0.2395 PRESSURE: 3990400 -145.115 -174.549 41.9522 -174.551 -183.811 -1.44772 41.9526 -1.44652 -154.383 GPRESSURE: 3990400 -182.978 -208.426 -9.09622 -70.0684 -97.009 -4.01384 25.773 24.3002 -116.993 PRESSAVG: 3990400 -13.3089 -36.7069 -27.6386 -36.707 -48.5658 -47.9595 -27.6387 -47.9593 35.0185 GPRESSAVG: 3990400 -12.9966 -35.2609 -28.0899 -37.8558 -47.8601 -49.3166 -26.8273 -47.9558 33.7373 TIMING: 3990400 CPU: 11597, 0.00289835/step Wall: 11597, 0.00289835/step, 0.812826 hours remaining, 207.886719 MB of memory in use. ENERGY: 3990400 786.5413 2109.6074 1954.4667 113.5965 -206551.1010 17834.4211 0.0000 0.0000 34329.8668 -149422.6012 299.8113 -183752.4680 -149326.2801 298.0967 -161.1031 -132.3265 557773.1511 -8.9521 -9.0398 PRESSURE: 3990600 181.214 116.196 -196.614 116.197 -132.439 -165.616 -196.614 -165.616 -195.813 GPRESSURE: 3990600 170.291 129.837 -213.621 86.9968 -50.8189 -125.936 -236.358 -167.997 -170.435 PRESSAVG: 3990600 -21.6219 -6.47859 -10.8416 -6.47855 39.2345 -4.82199 -10.8418 -4.82204 -3.04431 GPRESSAVG: 3990600 -22.5475 -7.0951 -10.3428 -4.4773 40.387 -4.03095 -10.8991 -4.96965 -3.24354 TIMING: 3990600 CPU: 11597.5, 0.00288238/step Wall: 11597.5, 0.00288238/step, 0.808188 hours remaining, 207.886719 MB of memory in use. ENERGY: 3990600 767.5063 2107.7303 1967.2822 120.5410 -206503.7973 17975.8973 0.0000 0.0000 34056.1458 -149508.6943 297.4208 -183564.8402 -149420.4265 298.4580 -49.0125 -16.9876 558492.8518 4.8561 4.8653 PRESSURE: 3990800 -93.8394 -117.774 42.2945 -117.774 -284.152 149.845 42.2942 149.846 194.177 GPRESSURE: 3990800 -85.5792 -174.757 43.9742 -135.25 -179.394 137.608 7.07235 33.9259 180.624 PRESSAVG: 3990800 2.65427 9.555 30.661 9.55488 -29.2566 -41.1205 30.661 -41.1206 49.2055 GPRESSAVG: 3990800 4.48075 9.22829 28.646 7.76403 -30.2485 -39.6236 30.7346 -43.2075 48.5539 TIMING: 3990800 CPU: 11598.1, 0.00290353/step Wall: 11598.1, 0.00290353/step, 0.813956 hours remaining, 207.886719 MB of memory in use. ENERGY: 3990800 736.0707 2108.4433 1962.3823 106.2893 -206539.3377 17793.6748 0.0000 0.0000 34130.3581 -149702.1192 298.0689 -183832.4772 -149608.3155 298.2202 -61.2717 -28.1164 557568.9737 7.5344 7.5954 PRESSURE: 3991000 -175.82 -115.632 190.507 -115.632 -137.249 51.3935 190.508 51.3914 -81.8258 GPRESSURE: 3991000 -162.591 -120.869 243.079 -197.057 -128.352 112.963 163.874 32.3684 -7.92043 PRESSAVG: 3991000 43.6948 10.0888 42.9184 10.0889 -46.5784 -17.4902 42.9185 -17.4903 16.3865 GPRESSAVG: 3991000 41.69 10.2546 43.9931 10.3562 -46.9725 -18.4703 42.1296 -15.5828 18.5589 TIMING: 3991000 CPU: 11598.7, 0.00289566/step Wall: 11598.7, 0.00289566/step, 0.81159 hours remaining, 207.886719 MB of memory in use. ENERGY: 3991000 741.2721 2084.5956 1959.1090 110.2194 -206353.4043 17861.1772 0.0000 0.0000 34070.0156 -149527.0155 297.5419 -183597.0310 -149442.5324 297.6102 -131.6314 -99.6213 557155.6331 4.5009 4.4255 PRESSURE: 3991200 -193.798 -27.0471 76.9699 -27.0473 -84.5344 68.4418 76.9702 68.4428 228.186 GPRESSURE: 3991200 -152.871 7.92882 38.999 43.9301 -31.779 139.19 97.4254 55.6405 234.124 PRESSAVG: 3991200 28.6417 24.1959 38.526 24.1959 -20.9261 10.657 38.5261 10.657 25.4973 GPRESSAVG: 3991200 29.3102 25.2699 39.5474 23.2797 -20.5436 10.9376 38.7696 9.24316 24.6476 TIMING: 3991200 CPU: 11599.3, 0.00289339/step Wall: 11599.3, 0.00289339/step, 0.810792 hours remaining, 207.886719 MB of memory in use. ENERGY: 3991200 723.1204 2050.7730 1958.3701 115.0736 -206028.3637 17683.6441 0.0000 0.0000 34013.8354 -149483.5470 297.0513 -183497.3824 -149383.2316 298.4967 -16.7154 16.4914 555607.0962 11.0710 11.1381 PRESSURE: 3991400 118.328 -29.1916 -150.519 -29.1917 -25.5548 79.6254 -150.52 79.6271 -51.943 GPRESSURE: 3991400 147.429 -19.4255 -93.9522 -34.0942 2.55256 79.003 -174.568 -11.0739 -11.0782 PRESSAVG: 3991400 -16.9399 -13.663 17.2828 -13.663 4.53117 25.1866 17.2828 25.1866 -31.9903 GPRESSAVG: 3991400 -17.337 -15.2428 16.6859 -13.497 5.11241 25.9457 18.6128 25.5849 -31.8157 TIMING: 3991400 CPU: 11599.9, 0.00290328/step Wall: 11599.9, 0.00290328/step, 0.813402 hours remaining, 207.886719 MB of memory in use. ENERGY: 3991400 727.9316 2097.2877 1960.7109 122.6147 -206265.1252 17929.5353 0.0000 0.0000 34150.4179 -149276.6270 298.2441 -183427.0448 -149179.7643 298.0197 13.6101 46.3012 558035.6448 -14.7997 -14.6801 PRESSURE: 3991600 -66.782 -35.3601 -21.7705 -35.3602 -122.536 -39.0215 -21.7707 -39.021 468.738 GPRESSURE: 3991600 -5.11505 -78.2788 -92.0068 -52.2821 -80.5505 -45.6112 19.6281 23.8419 454.866 PRESSAVG: 3991600 12.9806 12.0102 19.6804 12.0102 -37.5594 49.6053 19.6804 49.6052 75.6295 GPRESSAVG: 3991600 13.9984 12.8998 18.7322 14.0189 -38.2603 48.763 18.0876 52.0084 75.1157 TIMING: 3991600 CPU: 11600.4, 0.00289247/step Wall: 11600.4, 0.00289247/step, 0.810214 hours remaining, 207.886719 MB of memory in use. ENERGY: 3991600 737.3784 2072.7845 1935.8611 108.9763 -206331.2813 17982.1684 0.0000 0.0000 34095.3851 -149398.7275 297.7635 -183494.1126 -149304.4716 298.9136 93.1401 123.0670 556400.3553 17.0169 16.9513 PRESSURE: 3991800 -252.762 -70.949 0.604761 -70.9494 -457.089 58.4687 0.603619 58.4707 -245.066 GPRESSURE: 3991800 -205.417 -76.7669 61.5248 -129.993 -404.157 47.6237 -64.6803 56.739 -249.947 PRESSAVG: 3991800 -44.3766 -2.82514 40.6719 -2.82519 -2.83285 -0.222302 40.672 -0.22224 -1.63217 GPRESSAVG: 3991800 -43.1349 -5.06146 41.7036 -3.44489 -2.94537 -1.18913 40.8958 -1.15082 -2.54215 TIMING: 3991800 CPU: 11601, 0.00290455/step Wall: 11601, 0.00290455/step, 0.813435 hours remaining, 207.886719 MB of memory in use. ENERGY: 3991800 740.0816 2086.5736 1991.9808 115.1481 -205641.4827 17158.9329 0.0000 0.0000 34289.8119 -149258.9538 299.4615 -183548.7657 -149156.5892 298.5346 -318.3058 -286.5070 557188.3488 -16.2805 -16.2075 PRESSURE: 3992000 -236.764 14.1957 12.0825 14.1962 -232.029 36.6055 12.0828 36.6043 -202.454 GPRESSURE: 3992000 -148.169 51.0492 5.74291 -42.6368 -232.254 -47.3263 -18.9342 46.2259 -202.592 PRESSAVG: 3992000 -30.5726 -0.181841 -6.20115 -0.181735 32.5569 -20.1751 -6.20115 -20.1749 -3.4399 GPRESSAVG: 3992000 -33.0866 0.758259 -6.17097 -0.705531 33.8433 -19.1118 -5.30561 -20.1876 -2.22102 TIMING: 3992000 CPU: 11601.6, 0.00291894/step Wall: 11601.6, 0.00291894/step, 0.817305 hours remaining, 207.886719 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: 3992000 773.2271 2104.3185 1966.6252 104.2426 -206008.8540 17566.2010 0.0000 0.0000 34135.5217 -149358.7178 298.1140 -183494.2395 -149261.5187 299.6652 -223.7488 -194.3386 558477.6690 -0.4852 -0.4881 PRESSURE: 3992200 -173.391 10.6137 -83.1402 10.6134 98.5864 -104.482 -83.1408 -104.482 -31.7577 GPRESSURE: 3992200 -171.316 -12.7489 -79.2752 -97.6841 163.489 -166.773 -44.5457 -107.992 6.34603 PRESSAVG: 3992200 -67.3454 2.16471 -27.7393 2.16466 59.4978 -77.2941 -27.7392 -77.294 4.38153 GPRESSAVG: 3992200 -65.1085 4.74221 -28.6186 0.944325 57.9598 -77.2768 -27.3155 -78.1115 3.51376 TIMING: 3992200 CPU: 11602.2, 0.0029082/step Wall: 11602.2, 0.0029082/step, 0.814134 hours remaining, 207.886719 MB of memory in use. ENERGY: 3992200 743.0632 2036.4049 1948.7856 111.3850 -206696.1932 17983.4510 0.0000 0.0000 34504.6220 -149368.4814 301.3374 -183873.1034 -149273.1169 298.8279 -35.5208 -0.4936 558453.8756 -1.1553 -1.2117 LDB: ============= START OF LOAD BALANCING ============== 11605.7 LDB: ============== END OF LOAD BALANCING =============== 11605.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11605.7 LDB: ============= START OF LOAD BALANCING ============== 11605.9 LDB: Largest compute 4848 load 0.029791 is 25.3% of average load 0.117713 LDB: Average compute 0.001741 is 1.5% of average load 0.117713 LDB: TIME 11605.9 LOAD: AVG 0.117713 MAX 0.182036 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.574 MB LDB: TIME 11605.9 LOAD: AVG 0.117713 MAX 0.182036 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: TIME 11605.9 LOAD: AVG 0.117713 MAX 0.182036 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.621 MB LDB: ============== END OF LOAD BALANCING =============== 11605.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11606 PRESSURE: 3992400 -139.848 109.667 -25.6775 109.669 -112.589 -51.1214 -25.6773 -51.121 -106.328 GPRESSURE: 3992400 -138.936 55.5563 -109.297 161.59 -98.9481 1.3635 -20.5339 -76.5451 -28.9295 PRESSAVG: 3992400 -11.9391 -22.3773 -28.1597 -22.3772 60.9208 -28.799 -28.1597 -28.7989 -11.1653 GPRESSAVG: 3992400 -12.2829 -25.966 -27.1918 -22.0586 60.5202 -26.7427 -29.9955 -29.8716 -10.6012 TIMING: 3992400 CPU: 11602.8, 0.00298219/step Wall: 11602.8, 0.00298219/step, 0.834683 hours remaining, 205.953125 MB of memory in use. ENERGY: 3992400 731.4840 2093.8887 1964.9376 103.5395 -205952.1750 17599.8437 0.0000 0.0000 34195.4743 -149263.0073 298.6376 -183458.4816 -149174.1332 298.4615 -119.5881 -88.9379 558873.5368 12.6055 12.5454 PRESSURE: 3992600 117.89 -54.1278 79.5554 -54.128 229.725 45.4031 79.5548 45.4037 24.5627 GPRESSURE: 3992600 149.614 -95.0515 21.6095 -23.6582 198.508 89.2266 111.085 70.0395 118.7 PRESSAVG: 3992600 -34.1243 69.3537 -33.5119 69.3538 52.6918 -32.2179 -33.5119 -32.2178 -31.3606 GPRESSAVG: 3992600 -35.1435 71.2102 -35.1622 68.6762 53.3158 -34.845 -32.5978 -30.127 -30.7011 TIMING: 3992600 CPU: 11603.4, 0.00290111/step Wall: 11603.4, 0.00290111/step, 0.811828 hours remaining, 206.156250 MB of memory in use. ENERGY: 3992600 762.9488 2057.9654 1969.3784 111.8452 -206643.5150 18184.5506 0.0000 0.0000 34411.3180 -149145.5086 300.5226 -183556.8266 -149053.7303 299.5164 124.0591 155.6074 557733.4416 -4.2644 -4.1763 PRESSURE: 3992800 -149.251 -17.0189 -129.232 -17.02 -10.4981 -20.9014 -129.23 -20.9022 -243.249 GPRESSURE: 3992800 -148.243 -8.29025 15.6513 -73.4498 53.5721 28.439 -205.254 6.0141 -199.694 PRESSAVG: 3992800 -10.4637 0.895826 -49.0985 0.895819 -37.6482 15.4295 -49.0985 15.4294 43.3187 GPRESSAVG: 3992800 -10.0139 2.01994 -48.8447 0.421579 -37.5043 16.1069 -48.1779 15.4138 42.9609 TIMING: 3992800 CPU: 11603.9, 0.00289002/step Wall: 11603.9, 0.00289002/step, 0.808562 hours remaining, 206.156250 MB of memory in use. ENERGY: 3992800 714.7942 2151.0829 1945.2235 119.4604 -206025.8174 17610.9906 0.0000 0.0000 34312.5590 -149171.7067 299.6601 -183484.2658 -149082.1146 299.2770 -134.3329 -98.1215 559106.4330 -1.5978 -1.5191 PRESSURE: 3993000 -74.6581 -71.7159 56.3436 -71.7159 291.213 -148.176 56.344 -148.174 -86.5809 GPRESSURE: 3993000 -14.4685 -85.6433 11.5343 -21.9031 334.401 -149.29 118.386 -113.056 -84.061 PRESSAVG: 3993000 -2.88191 61.9984 -0.098123 61.9983 13.2887 52.3981 -0.0981424 52.3982 16.5886 GPRESSAVG: 3993000 -1.61823 61.2094 0.509557 64.1827 13.1346 51.6509 -0.351921 51.4845 15.8137 TIMING: 3993000 CPU: 11604.5, 0.00289552/step Wall: 11604.5, 0.00289552/step, 0.80994 hours remaining, 206.156250 MB of memory in use. ENERGY: 3993000 731.8434 2026.9602 1943.5293 114.2473 -206060.7510 17866.7752 0.0000 0.0000 34280.4130 -149096.9826 299.3794 -183377.3956 -149000.7374 298.7372 43.3248 78.6238 558169.9370 8.9984 9.1101 PRESSURE: 3993200 -144.621 86.2893 249.998 86.29 78.2548 140.21 249.998 140.211 17.0679 GPRESSURE: 3993200 -102.11 28.0121 162.083 51.2372 90.5771 145.675 241.506 77.9688 66.4563 PRESSAVG: 3993200 -50.0262 -20.7787 -66.6822 -20.7787 27.4003 20.4779 -66.6822 20.4778 11.1181 GPRESSAVG: 3993200 -50.439 -20.1965 -69.1837 -23.7117 27.2575 21.4235 -65.9152 20.938 11.0844 TIMING: 3993200 CPU: 11605.1, 0.00290824/step Wall: 11605.1, 0.00290824/step, 0.813338 hours remaining, 206.156250 MB of memory in use. ENERGY: 3993200 740.7225 2078.8967 1927.9413 108.7165 -206120.6614 17872.1307 0.0000 0.0000 34305.4114 -149086.8424 299.5977 -183392.2539 -148993.5396 299.4296 -16.4328 18.3079 559566.7123 -3.8359 -4.0324 PRESSURE: 3993400 -97.6743 18.6157 -80.1925 18.6154 -305.207 129.461 -80.1914 129.462 -545.351 GPRESSURE: 3993400 -104.792 33.2827 -106.251 51.159 -290.872 95.4753 -44.8609 208.263 -458.185 PRESSAVG: 3993400 16.4361 17.9581 -31.1226 17.958 5.59937 11.5744 -31.1225 11.5745 1.16654 GPRESSAVG: 3993400 15.6382 18.4903 -29.4266 18.7716 6.17709 11.1324 -32.8028 9.89606 1.51121 TIMING: 3993400 CPU: 11605.7, 0.00288129/step Wall: 11605.7, 0.00288129/step, 0.80564 hours remaining, 206.156250 MB of memory in use. ENERGY: 3993400 749.4787 2096.1550 1967.3890 109.0881 -205731.4116 17449.5392 0.0000 0.0000 34435.2942 -148924.4673 300.7320 -183359.7616 -148826.2352 299.8624 -316.0775 -284.6162 560136.6848 7.7340 7.7755 PRESSURE: 3993600 -93.8265 2.62725 25.9851 2.62653 -71.3871 201.332 25.9849 201.331 -125.541 GPRESSURE: 3993600 -128.478 27.1969 -6.8784 7.57678 -37.0335 184.227 38.6852 188.663 -29.629 PRESSAVG: 3993600 -24.3102 -35.114 -10.8539 -35.1139 53.817 45.0688 -10.8538 45.0687 -41.8831 GPRESSAVG: 3993600 -23.6475 -36.8617 -11.7211 -35.9546 53.1235 47.7969 -8.58227 44.7268 -41.754 TIMING: 3993600 CPU: 11606.3, 0.00288798/step Wall: 11606.3, 0.00288798/step, 0.80735 hours remaining, 206.156250 MB of memory in use. ENERGY: 3993600 745.4865 2120.9835 1945.6643 99.6065 -206030.8599 17797.0870 0.0000 0.0000 34434.5147 -148887.5175 300.7252 -183322.0321 -148795.5362 300.1579 -96.9182 -65.0470 559484.7279 -4.1254 -4.0927 PRESSURE: 3993800 302.128 -41.9893 -25.9474 -41.9898 194.331 -22.621 -25.9463 -22.6201 101.225 GPRESSURE: 3993800 321.59 11.7452 -1.88443 -131.822 253.185 -19.0206 -1.6075 -72.1946 115.253 PRESSAVG: 3993800 -10.9892 -62.8301 -24.792 -62.8299 19.5767 52.649 -24.7919 52.6489 6.098 GPRESSAVG: 3993800 -11.072 -63.0103 -22.6009 -60.0349 19.9757 50.1948 -26.765 53.1786 5.72644 TIMING: 3993800 CPU: 11606.8, 0.00291553/step Wall: 11606.8, 0.00291553/step, 0.814891 hours remaining, 206.156250 MB of memory in use. ENERGY: 3993800 713.9211 2129.6665 1923.2583 114.0096 -206092.3487 18117.9247 0.0000 0.0000 34098.0781 -148995.4903 297.7870 -183093.5684 -148901.3511 300.0088 199.2281 230.0090 557497.3361 4.8952 4.8767 PRESSURE: 3994000 -105.509 -166.212 118.547 -166.212 -84.2525 -66.0671 118.547 -66.0664 -38.529 GPRESSURE: 3994000 -72.4702 -240.431 101.107 -83.7352 -46.6477 15.4406 75.0098 -58.7616 -6.36013 PRESSAVG: 3994000 1.50985 -38.9777 -7.46986 -38.9777 58.3702 6.15013 -7.46979 6.14999 -85.1438 GPRESSAVG: 3994000 1.51241 -40.297 -9.26218 -37.8621 57.5644 5.37863 -6.76984 7.25577 -84.3013 TIMING: 3994000 CPU: 11607.4, 0.00287204/step Wall: 11607.4, 0.00287204/step, 0.802575 hours remaining, 206.156250 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: 3994000 747.8667 2144.0785 1938.5853 107.0398 -206047.2961 17695.0864 0.0000 0.0000 34292.2355 -149122.4039 299.4826 -183414.6394 -149025.4752 299.5961 -76.0968 -41.8260 557447.7069 -8.4212 -8.4082 PRESSURE: 3994200 -5.10811 -66.5722 -200.079 -66.5732 -200.308 277.356 -200.08 277.356 -190.71 GPRESSURE: 3994200 19.4202 -89.1685 -193.924 -34.3664 -137.12 268.606 -229.591 225.343 -184.431 PRESSAVG: 3994200 42.188 -32.8349 -32.3204 -32.8349 15.78 15.5853 -32.3203 15.5853 -69.1687 GPRESSAVG: 3994200 41.963 -31.9369 -32.9053 -32.1883 16.3898 16.6016 -29.6652 15.5872 -69.7324 TIMING: 3994200 CPU: 11608, 0.00289807/step Wall: 11608, 0.00289807/step, 0.809689 hours remaining, 206.156250 MB of memory in use. ENERGY: 3994200 736.2697 2097.9700 1966.0456 105.8960 -206084.4401 17738.5884 0.0000 0.0000 34273.0702 -149166.6002 299.3152 -183439.6704 -149069.3831 299.2491 -132.0418 -100.7103 557735.2119 -3.7336 -3.7932 PRESSURE: 3994400 -159.571 103.823 -178.498 103.824 82.9936 85.4647 -178.499 85.4634 -342.272 GPRESSURE: 3994400 -158.513 61.5409 -220.903 65.3847 109.192 128.48 -104.496 13.4143 -275.052 PRESSAVG: 3994400 -13.9234 -29.7666 -42.2613 -29.7665 57.7117 -10.3939 -42.2613 -10.394 -32.8418 GPRESSAVG: 3994400 -13.6956 -29.6645 -42.2004 -32.7046 56.1885 -9.33584 -42.9141 -11.4023 -31.7147 TIMING: 3994400 CPU: 11608.6, 0.00288937/step Wall: 11608.6, 0.00288937/step, 0.807097 hours remaining, 206.156250 MB of memory in use. ENERGY: 3994400 766.8518 2097.6298 1990.6199 123.3227 -205949.6513 17643.5117 0.0000 0.0000 34232.0548 -149095.6606 298.9570 -183327.7154 -148994.7077 299.2064 -139.6162 -108.1246 556152.9838 3.6488 3.5927 PRESSURE: 3994600 114.809 112.895 -59.9443 112.896 173.942 -92.6847 -59.9445 -92.6861 17.7402 GPRESSURE: 3994600 206.495 11.6954 -93.8049 272.971 129.122 -110.957 -52.1333 -39.7726 65.1024 PRESSAVG: 3994600 6.9031 -13.1561 -9.61531 -13.1562 -19.2707 13.5184 -9.61525 13.5184 28.7754 GPRESSAVG: 3994600 6.89453 -13.1472 -8.25965 -11.6425 -18.0471 13.3599 -13.2184 12.2643 27.8658 TIMING: 3994600 CPU: 11609.1, 0.00289215/step Wall: 11609.1, 0.00289215/step, 0.807712 hours remaining, 206.156250 MB of memory in use. ENERGY: 3994600 744.3970 2107.5367 1933.6055 118.8917 -206236.9481 17838.7905 0.0000 0.0000 34188.6669 -149305.0599 298.5781 -183493.7268 -149204.3935 298.8376 102.1636 133.5731 555881.2567 5.4692 5.5711 PRESSURE: 3994800 -110.775 -10.3312 -163.459 -10.333 -86.1451 147.497 -163.459 147.496 -112.926 GPRESSURE: 3994800 -60.2406 -55.5927 -202.013 20.1086 -34.5804 167.443 -94.2324 107.663 -118.405 PRESSAVG: 3994800 13.1394 -22.1758 -23.9067 -22.1759 56.7152 8.18725 -23.9065 8.18709 -44.1775 GPRESSAVG: 3994800 13.2533 -20.3348 -25.168 -24.2818 57.0073 5.11354 -21.1971 10.5461 -44.2752 TIMING: 3994800 CPU: 11609.7, 0.0029026/step Wall: 11609.7, 0.0029026/step, 0.810469 hours remaining, 206.156250 MB of memory in use. ENERGY: 3994800 723.0920 2113.5940 1957.6979 123.3868 -206084.4524 17615.9698 0.0000 0.0000 34164.3152 -149386.3967 298.3655 -183550.7120 -149293.8827 298.7519 -103.2822 -71.0755 557280.2126 8.5590 8.6618 PRESSURE: 3995000 -109.772 -100.414 13.2879 -100.414 -204.445 116.151 13.2879 116.151 150.442 GPRESSURE: 3995000 4.54732 -110.707 74.7201 -78.1567 -202.099 98.7122 -0.159536 119.737 135.17 PRESSAVG: 3995000 -31.8267 -38.8629 -19.7561 -38.863 29.0195 8.52899 -19.7563 8.529 60.5086 GPRESSAVG: 3995000 -31.7187 -40.6905 -19.4077 -35.9246 29.7763 11.4321 -19.8991 6.6977 59.8985 TIMING: 3995000 CPU: 11610.3, 0.00291337/step Wall: 11610.3, 0.00291337/step, 0.813317 hours remaining, 206.156250 MB of memory in use. ENERGY: 3995000 754.7186 2111.0250 1968.9513 109.1008 -206776.7717 17955.8453 0.0000 0.0000 34256.6308 -149620.4998 299.1717 -183877.1306 -149524.6675 298.8355 -54.5916 -20.7938 556401.0407 19.2338 19.3187 PRESSURE: 3995200 -15.6972 -53.289 -26.6171 -53.2889 -17.2586 -6.03951 -26.6183 -6.03993 165.326 GPRESSURE: 3995200 10.6694 23.1159 62.9738 -69.936 6.71056 -7.38178 -79.278 27.8112 210.172 PRESSAVG: 3995200 78.4403 -7.52809 -17.6038 -7.52811 -49.1931 5.1791 -17.6038 5.17908 -5.27559 GPRESSAVG: 3995200 78.5183 -8.62537 -19.0848 -8.13733 -49.7946 5.46016 -17.8051 4.32197 -4.7251 TIMING: 3995200 CPU: 11610.9, 0.00290837/step Wall: 11610.9, 0.00290837/step, 0.811757 hours remaining, 206.156250 MB of memory in use. ENERGY: 3995200 733.5808 2098.1554 1958.6758 117.1492 -206424.0033 17908.4875 0.0000 0.0000 34089.3160 -149518.6385 297.7105 -183607.9545 -149424.2442 298.5288 44.1233 75.8508 556815.8037 7.9905 7.9996 PRESSURE: 3995400 -34.5707 92.4233 72.3942 92.4229 18.6968 100.579 72.3936 100.58 -85.2044 GPRESSURE: 3995400 -5.67968 71.9676 114.136 51.3979 39.1825 92.58 134.674 8.45312 -29.8454 PRESSAVG: 3995400 12.6679 21.1614 -3.94691 21.1614 10.9235 -25.2644 -3.94699 -25.2643 -53.2948 GPRESSAVG: 3995400 12.9017 23.201 -0.863976 19.512 10.3826 -24.5462 -5.78089 -24.5979 -52.7296 TIMING: 3995400 CPU: 11611.5, 0.00292236/step Wall: 11611.5, 0.00292236/step, 0.815501 hours remaining, 206.156250 MB of memory in use. ENERGY: 3995400 739.0735 2088.5632 1940.0675 107.0326 -206060.1877 17587.4308 0.0000 0.0000 34008.8514 -149589.1687 297.0078 -183598.0201 -149488.7251 297.6665 -33.6928 1.2192 557599.2409 -9.9011 -9.8151 PRESSURE: 3995600 -2.19368 -118.781 -145.016 -118.781 -287.681 86.8829 -145.016 86.8832 -25.4344 GPRESSURE: 3995600 74.732 -110.142 -166.226 -168.233 -255.645 75.1207 -72.8087 20.3648 -29.469 PRESSAVG: 3995600 9.62587 9.21193 6.9555 9.21187 -51.6498 -13.1835 6.95537 -13.1834 2.56014 GPRESSAVG: 3995600 8.68827 6.58829 4.8719 11.1394 -50.9231 -14.1807 9.91703 -11.8763 3.03204 TIMING: 3995600 CPU: 11612.1, 0.00291872/step Wall: 11612.1, 0.00291872/step, 0.814322 hours remaining, 206.156250 MB of memory in use. ENERGY: 3995600 732.4679 2101.7416 1955.5596 101.4793 -206656.0286 17818.7093 0.0000 0.0000 34241.8433 -149704.2276 299.0425 -183946.0709 -149605.8194 298.1654 -105.1029 -70.1275 556585.7294 -13.1546 -13.0676 PRESSURE: 3995800 178.618 152.825 21.7948 152.825 -7.7339 91.6726 21.7931 91.6717 230.36 GPRESSURE: 3995800 140.251 195.817 1.14676 188.418 66.3221 108.691 -13.7386 35.6955 291.524 PRESSAVG: 3995800 15.6505 24.3107 -14.5101 24.3108 27.1256 57.3713 -14.5102 57.3712 -25.8336 GPRESSAVG: 3995800 16.0551 26.1505 -13.2455 24.0798 27.9185 56.2719 -16.3276 56.1673 -27.2159 TIMING: 3995800 CPU: 11612.6, 0.00290839/step Wall: 11612.6, 0.00290839/step, 0.81128 hours remaining, 206.156250 MB of memory in use. ENERGY: 3995800 759.5933 2083.5837 1974.4645 116.8787 -206678.8047 18072.0664 0.0000 0.0000 34167.3976 -149504.8206 298.3924 -183672.2182 -149408.0431 298.4251 133.7479 166.0323 556649.8664 5.6475 5.5859 PRESSURE: 3996000 -198.672 -70.5266 24.7021 -70.5264 82.0286 10.888 24.702 10.8884 -116.91 GPRESSURE: 3996000 -182.344 3.88436 -16.4648 -112.661 99.6559 10.5929 51.1882 -20.1277 -62.053 PRESSAVG: 3996000 -21.7864 32.6403 -11.7072 32.6402 -11.5304 27.4348 -11.7072 27.4347 32.1693 GPRESSAVG: 3996000 -20.2494 33.1718 -13.5905 32.6416 -13.753 28.1097 -10.4187 28.0307 33.1054 TIMING: 3996000 CPU: 11613.2, 0.00293596/step Wall: 11613.2, 0.00293595/step, 0.818805 hours remaining, 206.156250 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: 3996000 772.5436 2102.3710 1962.6187 103.3458 -206440.8290 17853.6109 0.0000 0.0000 34250.3572 -149395.9818 299.1169 -183646.3390 -149300.5488 299.0150 -77.8513 -48.2469 558115.9347 -0.3825 -0.2990 PRESSURE: 3996200 339.979 21.708 19.5568 21.7068 78.7067 -86.6148 19.5582 -86.6156 -159.361 GPRESSURE: 3996200 361.128 82.3356 -1.52226 -10.6367 65.0731 -30.9103 -30.2271 -114.282 -63.068 PRESSAVG: 3996200 5.89895 -5.16162 37.9154 -5.16151 -1.04823 16.9747 37.9154 16.9747 11.9812 GPRESSAVG: 3996200 4.24007 -5.03346 40.7371 -3.71653 0.922095 18.5987 34.9054 14.8354 12.0612 TIMING: 3996200 CPU: 11613.8, 0.00292193/step Wall: 11613.8, 0.00292193/step, 0.814732 hours remaining, 206.156250 MB of memory in use. ENERGY: 3996200 701.4885 1995.8656 1943.2348 128.8585 -206371.3676 17994.0457 0.0000 0.0000 34188.5882 -149419.2862 298.5774 -183607.8745 -149333.5968 298.7361 86.4416 121.0443 556149.9224 5.6106 5.7411 LDB: ============= START OF LOAD BALANCING ============== 11617.3 LDB: ============== END OF LOAD BALANCING =============== 11617.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11617.3 LDB: ============= START OF LOAD BALANCING ============== 11617.6 LDB: Largest compute 4848 load 0.028739 is 24.4% of average load 0.117796 LDB: Average compute 0.001746 is 1.5% of average load 0.117796 LDB: TIME 11617.6 LOAD: AVG 0.117796 MAX 0.181902 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.074 MB LDB: TIME 11617.6 LOAD: AVG 0.117796 MAX 0.181902 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: TIME 11617.6 LOAD: AVG 0.117796 MAX 0.181902 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.277 MB LDB: ============== END OF LOAD BALANCING =============== 11617.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11617.6 PRESSURE: 3996400 -105.459 -37.0939 -139.988 -37.0935 -302.05 -27.2366 -139.989 -27.237 -292.281 GPRESSURE: 3996400 -107.433 -12.5395 -96.9494 -72.337 -226.55 -63.2776 -162.461 -46.5456 -261.875 PRESSAVG: 3996400 -10.2041 -0.899222 -12.1051 -0.899238 -3.0343 1.50968 -12.1052 1.50955 9.27858 GPRESSAVG: 3996400 -9.59684 1.19545 -11.8733 -2.56344 -3.52224 0.535282 -10.2224 0.731569 9.41062 TIMING: 3996400 CPU: 11614.4, 0.00296136/step Wall: 11614.4, 0.00296136/step, 0.825562 hours remaining, 207.097656 MB of memory in use. ENERGY: 3996400 743.8063 2107.6782 1931.5357 119.7974 -205739.5283 17270.7842 0.0000 0.0000 34264.1521 -149301.7744 299.2374 -183565.9264 -149200.4775 299.3581 -233.2637 -198.6192 556282.4450 -1.3199 -1.2362 PRESSURE: 3996600 -454.116 143.419 36.358 143.419 -19.2094 -211.426 36.3587 -211.428 -103.846 GPRESSURE: 3996600 -398.738 149.459 -0.593573 124.214 -11.4086 -142.621 82.6469 -222.314 -70.6428 PRESSAVG: 3996600 -36.3143 0.594116 -6.29301 0.594127 3.77352 19.0274 -6.29297 19.0274 19.8007 GPRESSAVG: 3996600 -36.6318 0.0981886 -6.57311 0.368267 4.1691 19.7261 -7.55043 20.0678 19.9125 TIMING: 3996600 CPU: 11615, 0.0029148/step Wall: 11615, 0.0029148/step, 0.812421 hours remaining, 207.558594 MB of memory in use. ENERGY: 3996600 783.4159 2055.8212 1975.9344 105.2894 -205625.6634 17415.6588 0.0000 0.0000 34210.3986 -149079.1451 298.7679 -183289.5437 -148984.0985 299.0389 -192.3904 -160.2633 556658.8911 -4.2467 -4.1834 PRESSURE: 3996800 107.963 -59.742 -85.3747 -59.7408 -79.603 -58.2559 -85.3751 -58.2564 177.031 GPRESSURE: 3996800 163.196 -14.1187 -27.591 -110.56 -16.6503 10.6905 -129.159 -89.7815 153.772 PRESSAVG: 3996800 -39.5427 -21.5251 -58.6456 -21.5251 -8.98369 -28.5539 -58.6456 -28.5539 91.8282 GPRESSAVG: 3996800 -39.2063 -23.7857 -58.6563 -22.5165 -8.65992 -27.2075 -59.1796 -28.886 91.6225 TIMING: 3996800 CPU: 11615.6, 0.00294843/step Wall: 11615.6, 0.00294843/step, 0.82163 hours remaining, 207.558594 MB of memory in use. ENERGY: 3996800 808.9492 2099.1164 1964.5171 113.7162 -206145.6981 17818.8143 0.0000 0.0000 34345.6794 -148994.9054 299.9494 -183340.5849 -148893.5713 300.0270 68.4635 100.1059 556195.4880 14.4340 14.5854 PRESSURE: 3997000 -0.0515131 48.1767 38.6854 48.1787 -203.14 -68.1099 38.6865 -68.11 -80.7879 GPRESSURE: 3997000 -11.1505 38.1472 69.592 148.463 -131.864 -68.1238 98.3146 -146.997 -48.2205 PRESSAVG: 3997000 34.1083 -42.0671 -74.1716 -42.0671 -0.712092 -12.593 -74.1716 -12.5931 -33.01 GPRESSAVG: 3997000 32.9392 -43.4502 -74.9738 -40.9605 1.42519 -15.1599 -74.0565 -13.4561 -33.0189 TIMING: 3997000 CPU: 11616.2, 0.00293825/step Wall: 11616.2, 0.00293825/step, 0.818629 hours remaining, 207.851562 MB of memory in use. ENERGY: 3997000 760.8959 2051.8426 1969.3432 134.1707 -205994.4979 17704.5269 0.0000 0.0000 34161.4266 -149212.2921 298.3402 -183373.7186 -149111.7461 299.3502 -94.6598 -63.7449 558004.6050 0.1288 0.4485 PRESSURE: 3997200 -200.915 -94.0834 44.2559 -94.0836 -97.3494 129.2 44.2563 129.2 -63.0013 GPRESSURE: 3997200 -154.804 -100.094 25.5359 -107.046 -77.1136 80.6537 108.959 151.989 -23.8305 PRESSAVG: 3997200 -86.6289 0.556675 42.5568 0.556661 95.4328 79.3759 42.5568 79.3759 20.2015 GPRESSAVG: 3997200 -86.1509 -0.535414 41.7212 3.21034 93.3208 79.3329 45.3965 80.8977 21.4344 TIMING: 3997200 CPU: 11616.7, 0.00291031/step Wall: 11616.7, 0.00291031/step, 0.810684 hours remaining, 207.851562 MB of memory in use. ENERGY: 3997200 739.7818 2074.8283 1998.2493 124.9356 -206201.3616 17738.2573 0.0000 0.0000 34335.8347 -149189.4746 299.8634 -183525.3093 -149090.2881 299.4966 -120.4218 -85.2494 558631.2296 9.6684 9.5348 PRESSURE: 3997400 -12.2228 -150.574 -46.5457 -150.572 -8.70369 -85.3259 -46.5453 -85.326 -62.0091 GPRESSURE: 3997400 41.9847 -165.957 -92.2868 -97.4177 21.0449 -70.6798 -24.9678 -127.735 -44.5022 PRESSAVG: 3997400 -41.6199 -38.3131 -19.4795 -38.313 -7.6022 52.087 -19.4794 52.087 21.7264 GPRESSAVG: 3997400 -42.0819 -35.2588 -19.2158 -39.5528 -6.76884 51.8195 -20.1266 53.0695 21.8348 TIMING: 3997400 CPU: 11617.3, 0.00292363/step Wall: 11617.3, 0.00292363/step, 0.814232 hours remaining, 207.851562 MB of memory in use. ENERGY: 3997400 753.2131 2091.5052 1949.1093 126.9810 -206286.3917 17777.0199 0.0000 0.0000 34325.4078 -149263.1553 299.7723 -183588.5631 -149166.9410 299.2925 -27.6452 6.1758 557624.2686 -9.1652 -9.0053 PRESSURE: 3997600 -208.124 81.7643 -71.0196 81.7636 -65.5346 30.8598 -71.0197 30.8602 -91.8803 GPRESSURE: 3997600 -160.036 82.136 -84.3885 31.1354 -46.4894 39.5561 -34.6294 -12.7232 -73.674 PRESSAVG: 3997600 -6.88185 -18.5655 14.2447 -18.5656 0.686411 8.4527 14.2447 8.45267 -20.3132 GPRESSAVG: 3997600 -5.32074 -18.0906 14.8528 -19.9059 -0.609395 10.1011 13.548 6.57552 -20.5101 TIMING: 3997600 CPU: 11617.9, 0.00291559/step Wall: 11617.9, 0.00291559/step, 0.81183 hours remaining, 207.851562 MB of memory in use. ENERGY: 3997600 745.8805 2067.8632 1974.5633 129.4095 -206104.7909 17758.8417 0.0000 0.0000 34082.1470 -149346.0857 297.6479 -183428.2328 -149248.0941 298.6378 -121.8465 -93.3998 557814.1123 -8.8362 -8.8134 PRESSURE: 3997800 -46.9582 219.509 -88.7446 219.511 -277.398 -27.0777 -88.7443 -27.0774 -237.158 GPRESSURE: 3997800 -12.4073 172.491 -83.1368 236.868 -234.615 -89.7507 -90.0491 25.2313 -218.109 PRESSAVG: 3997800 -12.2866 32.6302 -5.10634 32.6302 38.2275 9.91804 -5.10638 9.91798 -34.3804 GPRESSAVG: 3997800 -12.7222 31.2381 -3.31814 34.7895 39.0246 8.28406 -6.76351 11.1048 -34.7966 TIMING: 3997800 CPU: 11618.5, 0.00290233/step Wall: 11618.5, 0.00290233/step, 0.807977 hours remaining, 207.851562 MB of memory in use. ENERGY: 3997800 764.7742 2091.6590 1932.1116 109.7096 -205898.6326 17530.9299 0.0000 0.0000 34304.0473 -149165.4008 299.5858 -183469.4482 -149067.4147 299.6554 -187.1713 -155.0436 558014.9237 -2.8132 -2.8314 PRESSURE: 3998000 241.702 -12.715 -124.548 -12.7147 139.303 -102.796 -124.548 -102.797 -11.5984 GPRESSURE: 3998000 239.955 -35.2679 -138.579 67.9568 194.519 -170.844 -135.634 -61.2625 30.0251 PRESSAVG: 3998000 -32.5734 -18.9599 -3.35711 -18.9598 -20.005 -45.9089 -3.35709 -45.9089 29.6767 GPRESSAVG: 3998000 -33.9342 -19.2054 -5.30339 -19.8281 -19.6634 -43.304 -0.752124 -47.7542 30.3956 TIMING: 3998000 CPU: 11619.1, 0.00293557/step Wall: 11619.1, 0.00293557/step, 0.817067 hours remaining, 207.851562 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: 3998000 784.9020 2104.7910 1918.8979 103.5107 -206435.4799 18099.4933 0.0000 0.0000 34410.3099 -149013.5751 300.5138 -183423.8850 -148914.1421 299.5909 123.1355 154.8331 557865.3114 -7.6339 -7.7340 PRESSURE: 3998200 -316.415 14.8919 7.29905 14.8932 239.551 127.396 7.29971 127.395 58.1816 GPRESSURE: 3998200 -316.204 95.1803 26.5938 37.0446 273.875 93.1783 -73.8288 200.585 109.405 PRESSAVG: 3998200 24.1345 31.5691 1.12919 31.5692 51.4906 1.43761 1.12921 1.43768 1.71093 GPRESSAVG: 3998200 24.7006 32.3694 2.20964 31.1081 51.763 0.550444 -0.445454 3.91435 0.765289 TIMING: 3998200 CPU: 11619.7, 0.00291412/step Wall: 11619.7, 0.00291412/step, 0.810934 hours remaining, 207.851562 MB of memory in use. ENERGY: 3998200 734.4229 2074.8281 1952.2219 115.7185 -206337.2939 17907.7505 0.0000 0.0000 34699.2141 -148853.1379 303.0369 -183552.3519 -148755.5291 300.4208 -6.2275 22.3586 560348.6931 25.7787 25.7430 PRESSURE: 3998400 4.83582 -74.8927 -116.766 -74.894 -49.2511 -113.528 -116.767 -113.529 -44.0848 GPRESSURE: 3998400 49.7116 -95.7068 -91.5668 -54.5092 -52.7895 -159.591 -52.0986 -41.272 6.33587 PRESSAVG: 3998400 -35.5651 14.8825 4.11552 14.8824 41.6563 75.4821 4.11548 75.482 -30.6473 GPRESSAVG: 3998400 -35.8498 15.039 4.19301 16.4386 40.8349 75.2762 3.04238 74.3084 -29.348 TIMING: 3998400 CPU: 11620.2, 0.0029257/step Wall: 11620.2, 0.0029257/step, 0.813996 hours remaining, 207.851562 MB of memory in use. ENERGY: 3998400 747.0644 2092.1806 1962.0993 125.0500 -206338.0361 17943.3016 0.0000 0.0000 34389.7834 -149078.5568 300.3345 -183468.3402 -148986.4171 299.7723 -29.5000 1.0860 558346.9616 -8.1853 -8.1210 PRESSURE: 3998600 323.005 284.202 19.6902 284.203 -13.5679 150.361 19.6898 150.361 -51.9721 GPRESSURE: 3998600 339.827 340.5 47.217 363.911 38.6752 155.769 3.51612 178.23 -33.4622 PRESSAVG: 3998600 22.1122 19.8394 -26.0749 19.8394 -45.1201 21.626 -26.0747 21.6261 24.0482 GPRESSAVG: 3998600 23.9255 18.5222 -26.0409 18.5612 -45.1875 20.1992 -24.6552 22.29 22.9323 TIMING: 3998600 CPU: 11620.8, 0.00293453/step Wall: 11620.8, 0.00293453/step, 0.816288 hours remaining, 207.851562 MB of memory in use. ENERGY: 3998600 725.7188 2086.3637 1955.7902 120.9552 -206687.3765 18108.9663 0.0000 0.0000 34390.2119 -149299.3704 300.3383 -183689.5823 -149204.6466 299.6587 85.8218 115.0132 558476.3341 0.3468 0.5568 PRESSURE: 3998800 -150.336 22.1033 55.3739 22.1021 77.8647 204.706 55.374 204.706 -118.674 GPRESSURE: 3998800 -44.1156 -23.2927 96.0066 35.7005 87.3137 229.714 175.861 172.577 -145.711 PRESSAVG: 3998800 9.46796 25.1232 50.6689 25.1232 -42.2506 17.9217 50.6689 17.9217 4.76168 GPRESSAVG: 3998800 9.19787 25.3039 49.3594 25.7591 -41.4278 18.0258 50.7135 15.53 4.36859 TIMING: 3998800 CPU: 11621.4, 0.00291815/step Wall: 11621.4, 0.00291815/step, 0.811569 hours remaining, 207.851562 MB of memory in use. ENERGY: 3998800 699.4338 2094.7576 1955.4378 121.3926 -206254.6096 17818.2219 0.0000 0.0000 34234.2973 -149331.0686 298.9766 -183565.3659 -149238.8271 299.1078 -63.7154 -34.1710 558791.0213 -9.3403 -9.2871 PRESSURE: 3999000 -204.004 -161.744 326.742 -161.744 -203.517 100.122 326.742 100.121 -284.815 GPRESSURE: 3999000 -192.049 -186.327 293.426 -109.377 -121.121 104.885 285.354 57.0194 -272.606 PRESSAVG: 3999000 -43.7765 -19.4363 -3.85425 -19.4363 -14.3596 76.5861 -3.85423 76.5861 34.9892 GPRESSAVG: 3999000 -44.3038 -18.685 -5.94756 -20.597 -15.599 76.8241 -2.24361 79.1576 36.5341 TIMING: 3999000 CPU: 11622, 0.0029474/step Wall: 11622, 0.0029474/step, 0.81954 hours remaining, 207.851562 MB of memory in use. ENERGY: 3999000 712.3639 2059.7558 1971.7076 108.8295 -206023.2497 17594.3081 0.0000 0.0000 34198.6659 -149377.6191 298.6655 -183576.2849 -149275.6032 298.7751 -230.7786 -195.2589 558493.7515 -7.7156 -7.7896 PRESSURE: 3999200 -103.607 -108.285 -164.718 -108.285 -20.5959 65.4946 -164.718 65.4939 28.2559 GPRESSURE: 3999200 -105.363 -172.559 -132.619 -126.641 34.233 85.7039 -168.04 -16.6045 71.6059 PRESSAVG: 3999200 2.74521 -7.99044 -11.2536 -7.9904 14.7658 -23.1395 -11.2536 -23.1394 -24.5623 GPRESSAVG: 3999200 2.94509 -7.70854 -8.41953 -7.0276 15.3564 -23.1934 -14.3881 -24.6775 -25.4108 TIMING: 3999200 CPU: 11622.6, 0.00292869/step Wall: 11622.6, 0.00292869/step, 0.814174 hours remaining, 207.851562 MB of memory in use. ENERGY: 3999200 733.7982 2030.1311 1957.6132 116.9895 -206095.3632 17782.4792 0.0000 0.0000 34186.9544 -149287.3975 298.5632 -183474.3519 -149195.3070 298.5095 -31.9825 0.1586 557852.1357 -2.3504 -2.3698 PRESSURE: 3999400 -191.516 -9.62774 -29.8331 -9.62565 30.148 -162.966 -29.834 -162.965 -101.96 GPRESSURE: 3999400 -141.137 -33.4079 22.9962 17.9087 24.4968 -104.048 34.136 -158.784 -53.2052 PRESSAVG: 3999400 -47.6659 -25.5799 -19.5444 -25.5798 36.1649 -27.9252 -19.5444 -27.9252 46.4623 GPRESSAVG: 3999400 -46.8235 -25.7651 -20.5988 -26.6684 36.4378 -27.6038 -16.3428 -27.3893 45.685 TIMING: 3999400 CPU: 11623.2, 0.00289641/step Wall: 11623.2, 0.00289641/step, 0.805041 hours remaining, 207.851562 MB of memory in use. ENERGY: 3999400 724.2985 2027.7802 1945.9464 116.8701 -206030.9952 17643.4966 0.0000 0.0000 34095.0823 -149477.5211 297.7608 -183572.6034 -149378.9220 298.0373 -87.7759 -56.6153 557747.9617 11.6537 11.7664 PRESSURE: 3999600 -60.2977 82.5614 44.8112 82.56 2.68949 65.6325 44.8106 65.6326 -36.182 GPRESSURE: 3999600 -12.6005 138.69 -67.2869 21.3326 -5.54518 70.274 142.252 95.9977 28.0615 PRESSAVG: 3999600 31.7422 -30.672 -27.7667 -30.672 -4.66297 28.997 -27.7667 28.9969 -33.0098 GPRESSAVG: 3999600 30.5683 -31.2866 -28.496 -30.7639 -4.19511 27.762 -28.2894 29.78 -32.5916 TIMING: 3999600 CPU: 11623.8, 0.00293328/step Wall: 11623.8, 0.00293328/step, 0.815125 hours remaining, 207.851562 MB of memory in use. ENERGY: 3999600 745.5777 2069.9988 1948.6931 112.3368 -206480.6162 17853.3731 0.0000 0.0000 34355.3136 -149395.3232 300.0335 -183750.6368 -149298.6008 298.6946 -31.2634 3.3053 557018.7042 -1.9768 -2.0728 PRESSURE: 3999800 -213.652 81.7479 -137.393 81.7477 -51.0596 51.8577 -137.394 51.8591 -206.959 GPRESSURE: 3999800 -117.306 37.1778 -92.0353 113.432 -70.9052 46.6733 -86.2866 65.361 -184.955 PRESSAVG: 3999800 46.4801 15.874 -35.711 15.8741 6.88552 75.0334 -35.711 75.0334 -35.5441 GPRESSAVG: 3999800 48.1458 15.5777 -34.8584 16.1174 4.45803 76.3411 -37.0766 75.4545 -34.9658 TIMING: 3999800 CPU: 11624.3, 0.00292753/step Wall: 11624.3, 0.00292753/step, 0.813366 hours remaining, 207.851562 MB of memory in use. ENERGY: 3999800 745.3387 2050.2560 1946.7649 110.3855 -205802.0478 17510.2758 0.0000 0.0000 33993.9520 -149445.0749 296.8776 -183439.0270 -149351.4511 298.1363 -157.2235 -124.3886 557833.7560 5.9405 5.8793 PRESSURE: 4000000 -78.9908 26.0922 77.9761 26.0915 -62.785 -52.9289 77.9764 -52.9283 -314.448 GPRESSURE: 4000000 23.2291 91.9278 63.8001 17.8059 -101.88 -30.671 63.2196 -84.4759 -275.676 PRESSAVG: 4000000 -36.9746 -45.0899 -12.2924 -45.0898 59.603 32.5809 -12.2924 32.581 -38.9842 GPRESSAVG: 4000000 -37.8848 -43.5271 -13.6095 -47.1488 60.6165 34.1216 -12.591 31.6736 -39.557 TIMING: 4000000 CPU: 11624.9, 0.00293285/step Wall: 11624.9, 0.00293285/step, 0.814681 hours remaining, 207.851562 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: 4000000 748.7395 2090.4276 1952.7993 113.0212 -206117.3066 17729.2160 0.0000 0.0000 34122.7004 -149360.4026 298.0020 -183483.1030 -149276.0286 298.6526 -152.0745 -118.1089 556779.5880 -5.4519 -5.6085 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.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 151.31 16.6942 -27.6242 16.6933 -135.554 63.6346 -27.6237 63.6354 -92.691 GPRESSURE: 4000200 160.664 80.3143 -30.3244 -42.3737 -108.777 88.4167 -37.7756 43.2948 -41.2626 PRESSAVG: 4000200 6.81728 -39.3099 -11.6501 -39.3098 -10.4164 -57.5429 -11.6501 -57.5429 21.0804 GPRESSAVG: 4000200 6.94898 -39.6112 -10.7207 -38.1192 -9.29527 -58.5971 -10.757 -57.0988 19.0947 TIMING: 4000200 CPU: 11625.5, 0.0030041/step Wall: 11625.5, 0.0030041/step, 0.834306 hours remaining, 207.976562 MB of memory in use. ENERGY: 4000200 702.9170 2049.0121 1940.6183 112.5458 -205943.4204 17687.6925 0.0000 0.0000 33987.1466 -149463.4881 296.8182 -183450.6346 -149364.2023 298.4283 -25.6450 3.5415 556644.6040 5.8271 5.5828 LDB: ============= START OF LOAD BALANCING ============== 11629 LDB: ============== END OF LOAD BALANCING =============== 11629 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11629 LDB: ============= START OF LOAD BALANCING ============== 11629.3 LDB: Largest compute 4848 load 0.028977 is 24.6% of average load 0.117781 LDB: Average compute 0.001740 is 1.5% of average load 0.117781 LDB: TIME 11629.3 LOAD: AVG 0.117781 MAX 0.183304 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11629.3 LOAD: AVG 0.117781 MAX 0.183304 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: TIME 11629.3 LOAD: AVG 0.117781 MAX 0.183304 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.586 MB LDB: ============== END OF LOAD BALANCING =============== 11629.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11629.3 PRESSURE: 4000400 76.9875 103.2 22.0446 103.2 305.844 -144.228 22.0445 -144.227 -118.851 GPRESSURE: 4000400 70.3919 150.805 -0.672742 99.9362 354.554 -192.194 50.919 -97.4716 -59.7223 PRESSAVG: 4000400 1.31123 -14.4963 -21.0536 -14.4963 3.35835 -31.1068 -21.0537 -31.1069 -33.4406 GPRESSAVG: 4000400 -0.255015 -15.4446 -23.2993 -14.2447 3.38102 -29.8884 -20.0345 -32.3591 -32.132 TIMING: 4000400 CPU: 11626.1, 0.00298465/step Wall: 11626.1, 0.00298465/step, 0.828739 hours remaining, 206.843750 MB of memory in use. ENERGY: 4000400 741.3115 2022.2178 1951.3898 107.9995 -206148.7485 18036.6522 0.0000 0.0000 33840.2078 -149448.9700 295.5350 -183289.1778 -149353.1373 297.7798 87.9937 121.7410 557327.0412 -9.5904 -9.6687 PRESSURE: 4000600 -85.4522 97.7169 63.6704 97.7173 -488.27 -12.7805 63.6711 -12.7791 51.7923 GPRESSURE: 4000600 -76.3582 146.631 6.82916 108.686 -452.094 -28.3037 129.38 17.7324 103.54 PRESSAVG: 4000600 -2.79675 -17.0423 -20.7296 -17.0424 -24.4899 39.9145 -20.7296 39.9145 61.3826 GPRESSAVG: 4000600 -2.86222 -14.8169 -18.8644 -16.4187 -25.1499 37.6635 -21.418 41.6829 62.1274 TIMING: 4000600 CPU: 11626.7, 0.00291509/step Wall: 11626.7, 0.00291509/step, 0.809262 hours remaining, 207.101562 MB of memory in use. ENERGY: 4000600 731.7588 2053.1692 1946.0334 111.8200 -205701.5184 17366.3910 0.0000 0.0000 34143.1578 -149349.1881 298.1807 -183492.3459 -149250.5675 298.2456 -173.9765 -141.6374 557904.6137 11.3653 11.3717 PRESSURE: 4000800 290.832 -66.6614 15.3422 -66.662 75.5059 -19.2685 15.3411 -19.2689 -44.6126 GPRESSURE: 4000800 321.652 -114.839 2.35886 -10.157 159.438 -28.6347 -70.9868 15.608 -63.569 PRESSAVG: 4000800 -17.1652 36.2062 9.78878 36.2063 7.08914 -0.497578 9.78885 -0.497586 28.2256 GPRESSAVG: 4000800 -16.7661 34.6215 10.7001 34.0323 7.76622 -0.910114 9.54418 1.43563 27.268 TIMING: 4000800 CPU: 11627.3, 0.00291071/step Wall: 11627.3, 0.00291071/step, 0.807883 hours remaining, 207.101562 MB of memory in use. ENERGY: 4000800 727.8879 2059.4013 1926.9205 107.9320 -206544.4978 18118.4668 0.0000 0.0000 34354.8917 -149248.9977 300.0298 -183603.8894 -149157.1635 299.1920 107.2418 139.1736 556547.0701 6.0498 6.0894 PRESSURE: 4001000 41.808 52.287 50.6729 52.2879 195.616 126.564 50.6726 126.564 217.537 GPRESSURE: 4001000 97.2916 20.4023 61.4873 97.2073 203.684 110.177 33.3342 181.62 249.827 PRESSAVG: 4001000 -27.8268 -42.9943 -20.5325 -42.9943 34.4767 -20.2068 -20.5326 -20.2068 -35.1751 GPRESSAVG: 4001000 -27.7742 -44.1669 -20.9587 -40.4144 34.8673 -17.8554 -20.837 -22.5335 -35.7235 TIMING: 4001000 CPU: 11627.9, 0.00290672/step Wall: 11627.9, 0.00290672/step, 0.806614 hours remaining, 207.101562 MB of memory in use. ENERGY: 4001000 691.5793 2044.7407 1947.5825 122.3248 -206408.5641 18092.4320 0.0000 0.0000 34236.1885 -149273.7163 298.9931 -183509.9049 -149173.6846 299.0917 151.6536 183.6009 557318.6658 -9.5084 -9.5434 PRESSURE: 4001200 248.199 101.41 -168.338 101.411 -117.779 -35.5152 -168.338 -35.5156 201.314 GPRESSURE: 4001200 267.595 27.7985 -53.7866 111.32 -60.7922 20.2365 -178.587 -92.9373 217.143 PRESSAVG: 4001200 -23.9982 62.481 11.1282 62.481 -6.32351 -58.8468 11.1283 -58.8468 -11.5091 GPRESSAVG: 4001200 -24.2962 64.6186 12.2129 59.793 -6.7802 -60.5569 10.8615 -59.8114 -10.7464 TIMING: 4001200 CPU: 11628.5, 0.00293734/step Wall: 11628.5, 0.00293734/step, 0.814948 hours remaining, 207.101562 MB of memory in use. ENERGY: 4001200 715.6511 2052.8952 1944.4482 107.4096 -206360.0405 18001.5677 0.0000 0.0000 34323.9872 -149214.0815 299.7599 -183538.0688 -149112.6392 299.1224 110.5781 141.3154 558596.4181 -13.9436 -13.9409 PRESSURE: 4001400 -82.9224 56.2319 58.1795 56.2315 -173.651 12.5163 58.181 12.5151 -116.778 GPRESSURE: 4001400 -63.6625 120.076 6.60818 -51.4284 -161.021 -9.32755 -23.7344 40.021 -43.2861 PRESSAVG: 4001400 24.3563 43.5146 7.21229 43.5146 -44.6324 16.5803 7.21239 16.5804 42.4003 GPRESSAVG: 4001400 24.4177 43.6254 5.54877 44.6853 -43.7551 18.1592 6.42761 17.4347 41.7278 TIMING: 4001400 CPU: 11629, 0.00292501/step Wall: 11629, 0.00292501/step, 0.811364 hours remaining, 207.101562 MB of memory in use. ENERGY: 4001400 762.7046 2020.5298 1943.2016 105.1957 -205770.4355 17787.9975 0.0000 0.0000 34015.2679 -149135.5384 297.0638 -183150.8064 -149035.1066 299.0479 -124.4506 -89.3232 559295.0712 7.3747 7.4635 PRESSURE: 4001600 -98.3456 -208.796 64.1032 -208.798 189.034 -123.246 64.1026 -123.247 103.149 GPRESSURE: 4001600 -38.2609 -282.435 46.0421 -159.534 121 -147.982 126.51 -99.6642 215.357 PRESSAVG: 4001600 -32.1445 -33.5877 10.9437 -33.5877 -8.89158 20.4365 10.9437 20.4365 42.61 GPRESSAVG: 4001600 -32.5434 -36.2869 11.9696 -34.5518 -10.4809 18.4536 9.73837 19.5709 44.449 TIMING: 4001600 CPU: 11629.6, 0.00291676/step Wall: 11629.6, 0.00291676/step, 0.808915 hours remaining, 207.101562 MB of memory in use. ENERGY: 4001600 764.8103 2135.1204 1955.2181 104.4592 -206597.5440 18082.4929 0.0000 0.0000 34329.9790 -149225.4641 299.8122 -183555.4431 -149132.7079 298.6823 64.6122 99.3656 558061.1363 0.5246 0.4749 PRESSURE: 4001800 -49.7866 63.1931 22.8259 63.1951 -330.113 -191.987 22.8265 -191.988 -68.5268 GPRESSURE: 4001800 -26.4749 11.4334 36.736 74.6289 -338.125 -189.7 12.3006 -211.568 9.96575 PRESSAVG: 4001800 -4.17332 -8.24188 -24.5226 -8.24183 -16.4628 12.9166 -24.5224 12.9166 -5.11156 GPRESSAVG: 4001800 -3.40592 -6.87307 -26.1881 -6.0389 -16.0489 15.0096 -21.1072 13.7768 -6.60087 TIMING: 4001800 CPU: 11630.2, 0.00287825/step Wall: 11630.2, 0.00287825/step, 0.798075 hours remaining, 207.101562 MB of memory in use. ENERGY: 4001800 741.6380 2041.0145 1951.5985 94.7640 -205738.7983 17523.5426 0.0000 0.0000 34241.7678 -149144.4730 299.0419 -183386.2408 -149045.1521 298.9217 -149.4754 -118.2115 558513.2497 -8.5826 -8.6852 PRESSURE: 4002000 169.339 -85.3048 -24.3478 -85.3042 188.126 -97.1052 -24.3485 -97.1061 0.29222 GPRESSURE: 4002000 174.255 -28.5472 -34.0144 -124.785 250.651 -64.5382 -54.2133 -34.7265 23.5363 PRESSAVG: 4002000 11.7075 -29.0576 -31.6913 -29.0575 -9.72733 -10.9224 -31.6913 -10.9224 -4.16237 GPRESSAVG: 4002000 10.9272 -27.9316 -29.7026 -31.5418 -8.83828 -11.0939 -33.6233 -13.0572 -4.58148 TIMING: 4002000 CPU: 11630.8, 0.0029038/step Wall: 11630.8, 0.0029038/step, 0.804997 hours remaining, 207.101562 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: 4002000 743.2581 2084.6373 1929.0169 112.4877 -205960.0875 17772.6940 0.0000 0.0000 34115.4668 -149202.5267 297.9389 -183317.9935 -149114.0367 299.4845 119.2524 149.4807 555493.4544 -0.7274 -0.8309 PRESSURE: 4002200 346.23 89.504 86.6477 89.5032 147.053 59.596 86.6475 59.5974 -134.056 GPRESSURE: 4002200 379.237 120.645 60.407 60.9894 115.5 22.9533 95.3905 86.5061 -56.7679 PRESSAVG: 4002200 44.0548 -34.6587 1.9903 -34.6585 -5.42511 33.0448 1.99032 33.0449 -51.0184 GPRESSAVG: 4002200 44.2697 -33.8044 0.7413 -35.5153 -7.84346 31.9363 1.95532 34.6837 -48.8996 TIMING: 4002200 CPU: 11631.4, 0.00290317/step Wall: 11631.4, 0.00290317/step, 0.804663 hours remaining, 207.101562 MB of memory in use. ENERGY: 4002200 765.8490 2020.9989 1936.0317 110.8190 -206440.4316 18067.1740 0.0000 0.0000 34195.1803 -149344.3788 298.6350 -183539.5591 -149249.8850 298.9673 119.7422 145.9895 556741.8589 -4.1296 -4.1578 PRESSURE: 4002400 -195.83 -38.3537 36.3466 -38.3539 123.671 32.7653 36.3464 32.7653 -26.5917 GPRESSURE: 4002400 -192.665 5.44974 33.411 -40.7135 105.341 27.973 -11.5687 62.9935 98.3744 PRESSAVG: 4002400 -14.9507 33.4901 27.3355 33.4901 -24.4052 14.4057 27.3355 14.4057 35.8044 GPRESSAVG: 4002400 -14.7339 30.9274 26.3271 36.5704 -23.1602 15.4145 28.957 16.7827 34.2087 TIMING: 4002400 CPU: 11631.9, 0.00289344/step Wall: 11631.9, 0.00289344/step, 0.801804 hours remaining, 207.101562 MB of memory in use. ENERGY: 4002400 777.2819 2070.5354 1946.9736 115.6705 -206052.6062 17800.2309 0.0000 0.0000 34276.7994 -149065.1144 299.3478 -183341.9139 -148969.4561 299.1917 -32.9168 3.6836 557703.1512 -1.1838 -1.2285 PRESSURE: 4002600 -23.8292 57.5371 -64.6165 57.5368 -233.713 37.0504 -64.6172 37.0501 18.1935 GPRESSURE: 4002600 -34.4879 93.5194 -45.6169 29.8296 -126.464 -2.79914 -27.8071 94.3624 27.7151 PRESSAVG: 4002600 39.9586 -3.78588 7.40121 -3.78597 -27.3733 -5.54198 7.40119 -5.54198 -12.3802 GPRESSAVG: 4002600 38.4705 -2.23627 9.75612 -5.41198 -26.3074 -6.11487 5.45863 -8.12203 -12.4018 TIMING: 4002600 CPU: 11632.5, 0.00291003/step Wall: 11632.5, 0.00291003/step, 0.806239 hours remaining, 207.101562 MB of memory in use. ENERGY: 4002600 756.1124 2113.7679 1978.3028 118.5802 -205737.6459 17504.0222 0.0000 0.0000 34118.3953 -149148.4651 297.9644 -183266.8604 -149053.1151 299.3183 -79.7827 -44.4124 557847.9051 0.0684 -0.0796 PRESSURE: 4002800 -21.7422 -69.0856 148.107 -69.0851 -135.252 -45.1765 148.108 -45.1784 -154.194 GPRESSURE: 4002800 -27.1434 -32.8431 143.665 -48.5547 -65.1042 -6.24227 139.572 -136.113 -121.524 PRESSAVG: 4002800 66.9946 -19.2156 5.55724 -19.2155 8.51464 -22.4446 5.55718 -22.4446 -20.1649 GPRESSAVG: 4002800 68.8736 -18.703 5.75205 -21.0707 7.29011 -24.9133 5.61009 -21.3657 -20.788 TIMING: 4002800 CPU: 11633.1, 0.00288642/step Wall: 11633.1, 0.00288642/step, 0.799537 hours remaining, 207.101562 MB of memory in use. ENERGY: 4002800 732.1899 2075.9486 1962.4572 98.2665 -205872.0055 17670.2924 0.0000 0.0000 34067.5074 -149265.3435 297.5200 -183332.8509 -149162.9732 299.3798 -103.7292 -71.2571 556842.4233 18.4481 18.4586 PRESSURE: 4003000 -347.885 13.5897 -66.5902 13.5897 -115.931 -78.5535 -66.5892 -78.5547 -248.244 GPRESSURE: 4003000 -332.843 -25.0692 -65.4403 -20.624 -58.3266 -24.5727 -70.01 -112.314 -223.993 PRESSAVG: 4003000 12.2464 23.4864 22.1606 23.4864 20.1751 -54.5688 22.1606 -54.5687 -50.8903 GPRESSAVG: 4003000 11.0934 21.8283 20.5458 25.9408 20.1902 -53.4052 23.3134 -54.6611 -50.1173 TIMING: 4003000 CPU: 11633.7, 0.00289143/step Wall: 11633.7, 0.00289143/step, 0.800766 hours remaining, 207.101562 MB of memory in use. ENERGY: 4003000 738.1648 2079.5267 2016.6038 114.5647 -205998.1057 17534.9330 0.0000 0.0000 34332.3246 -149181.9882 299.8327 -183514.3128 -149092.9906 298.3848 -237.3533 -205.0544 558449.6779 -6.1563 -6.2779 PRESSURE: 4003200 -48.5928 73.7076 -79.6822 73.7058 -107.031 -60.5988 -79.6827 -60.5987 185.263 GPRESSURE: 4003200 55.9941 17.9298 -138.346 73.8665 -63.6993 -26.8681 -17.799 -89.3944 138.675 PRESSAVG: 4003200 -18.5417 -40.3617 34.5297 -40.3617 -16.3955 -4.02474 34.5297 -4.02472 -12.1109 GPRESSAVG: 4003200 -17.0793 -40.4057 36.2999 -39.3698 -16.7216 -4.1157 34.2398 -5.11912 -13.5098 TIMING: 4003200 CPU: 11634.3, 0.00289978/step Wall: 11634.3, 0.00289978/step, 0.802916 hours remaining, 207.101562 MB of memory in use. ENERGY: 4003200 711.6423 2080.6853 1982.6108 135.9785 -205992.4276 17699.5582 0.0000 0.0000 34077.0075 -149304.9450 297.6030 -183381.9525 -149206.7250 299.2486 9.8798 43.6565 557470.5693 -15.6827 -15.7703 PRESSURE: 4003400 306.601 -79.1192 -68.1041 -79.1199 -117.2 67.106 -68.1051 67.1058 77.8933 GPRESSURE: 4003400 385.981 -95.8941 -91.2285 -25.7129 -88.1059 110.223 -62.2073 64.4437 62.0148 PRESSAVG: 4003400 23.8872 -2.7026 4.20617 -2.70252 28.9611 -16.8077 4.20621 -16.8075 -50.396 GPRESSAVG: 4003400 23.4682 -3.5898 2.18846 -4.35847 29.0032 -15.1086 5.47413 -17.6527 -50.1899 TIMING: 4003400 CPU: 11634.8, 0.00289908/step Wall: 11634.8, 0.00289908/step, 0.802561 hours remaining, 207.101562 MB of memory in use. ENERGY: 4003400 769.8160 2026.6970 1982.1220 103.9065 -206633.3274 18189.1046 0.0000 0.0000 34258.9635 -149302.7178 299.1920 -183561.6813 -149207.8497 297.9752 89.0979 119.9633 557447.0601 0.8174 0.7605 PRESSURE: 4003600 96.2441 -108.373 51.3754 -108.372 -80.6512 -138.57 51.3755 -138.569 -69.8948 GPRESSURE: 4003600 138.817 -101.23 109.316 -77.3203 -49.932 -160.931 -11.6014 -148.132 -44.6108 PRESSAVG: 4003600 57.2714 -19.0257 -34.0941 -19.0257 -32.3093 -15.7282 -34.094 -15.7283 -61.3419 GPRESSAVG: 4003600 56.7897 -18.0648 -33.0003 -18.6423 -32.7077 -16.885 -35.8615 -15.8631 -60.7064 TIMING: 4003600 CPU: 11635.4, 0.00290925/step Wall: 11635.4, 0.00290925/step, 0.805215 hours remaining, 207.101562 MB of memory in use. ENERGY: 4003600 726.8509 2134.1142 1970.7325 100.2143 -206311.3803 17905.2191 0.0000 0.0000 34257.2475 -149217.0017 299.1771 -183474.2492 -149128.2774 298.8936 -18.1006 14.7582 559799.9574 -12.1266 -12.2082 PRESSURE: 4003800 -7.89128 -56.2539 -1.71678 -56.2537 -20.811 -168.999 -1.71779 -168.999 -116.664 GPRESSURE: 4003800 28.3581 -96.0861 -82.5882 40.4542 23.4364 -257.501 61.932 -148.166 -107.192 PRESSAVG: 4003800 16.576 -2.50741 -11.2874 -2.50735 14.6085 -64.466 -11.2873 -64.4662 -22.0947 GPRESSAVG: 4003800 17.0769 -1.49048 -11.1577 -2.53719 14.0742 -63.9277 -12.6155 -64.4286 -22.2117 TIMING: 4003800 CPU: 11636, 0.0028942/step Wall: 11636, 0.0028942/step, 0.800889 hours remaining, 207.171875 MB of memory in use. ENERGY: 4003800 749.6553 2101.2619 1954.3305 115.6414 -206053.0403 17730.4848 0.0000 0.0000 34304.2154 -149097.4512 299.5872 -183401.6665 -149006.8019 298.7662 -48.4554 -18.4658 557070.9392 3.0299 2.9798 PRESSURE: 4004000 257.042 14.9897 -47.3016 14.9889 -216.351 -6.69624 -47.3023 -6.69466 -189.312 GPRESSURE: 4004000 297.942 -45.2174 -28.583 28.0083 -174.991 -1.49827 -102.252 -42.3199 -161.806 PRESSAVG: 4004000 63.2427 -78.4977 1.76239 -78.4977 49.6618 0.890633 1.76237 0.890741 -95.4011 GPRESSAVG: 4004000 62.3504 -80.6324 1.54377 -78.9565 50.4079 1.08667 3.48807 -0.515711 -95.6785 TIMING: 4004000 CPU: 11636.6, 0.00289071/step Wall: 11636.6, 0.00289071/step, 0.799764 hours remaining, 207.171875 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: 4004000 758.6587 2091.6232 1969.2123 117.2955 -206023.2629 17780.2828 0.0000 0.0000 34336.5051 -148969.6853 299.8692 -183306.1904 -148871.1929 299.4861 -49.5404 -12.9517 557704.2128 5.8345 5.6933 PRESSURE: 4004200 -270.319 -117.705 71.8254 -117.705 -304.826 -134.58 71.824 -134.581 -15.2279 GPRESSURE: 4004200 -244.696 -186.567 61.6043 -35.9114 -256.526 -172.17 45.6147 -9.49917 17.0856 PRESSAVG: 4004200 21.2083 -13.1196 -10.1833 -13.1195 -5.96128 -21.8972 -10.1834 -21.8972 51.4249 GPRESSAVG: 4004200 21.9213 -10.0341 -12.3971 -11.7614 -5.91627 -21.2989 -10.9243 -19.4179 50.4461 TIMING: 4004200 CPU: 11637.2, 0.00292885/step Wall: 11637.2, 0.00292885/step, 0.810153 hours remaining, 207.171875 MB of memory in use. ENERGY: 4004200 818.7813 2144.4032 1947.5349 102.3803 -206104.1792 17835.2887 0.0000 0.0000 34313.8834 -148941.9074 299.6717 -183255.7908 -148842.1426 300.0765 -196.7911 -161.3787 559028.0457 22.2240 22.1504 LDB: ============= START OF LOAD BALANCING ============== 11640.6 LDB: ============== END OF LOAD BALANCING =============== 11640.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11640.6 LDB: ============= START OF LOAD BALANCING ============== 11640.9 LDB: Largest compute 4848 load 0.029433 is 25.0% of average load 0.117786 LDB: Average compute 0.001740 is 1.5% of average load 0.117786 LDB: TIME 11640.9 LOAD: AVG 0.117786 MAX 0.180401 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 11640.9 LOAD: AVG 0.117786 MAX 0.180401 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: TIME 11640.9 LOAD: AVG 0.117786 MAX 0.180401 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.109 MB LDB: ============== END OF LOAD BALANCING =============== 11640.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11640.9 PRESSURE: 4004400 -65.3821 -18.9318 16.0353 -18.9318 -579.066 96.4904 16.0348 96.4883 -63.045 GPRESSURE: 4004400 -58.6908 -21.6284 31.0233 46.911 -498.056 129.829 24.1956 153.657 -52.5848 PRESSAVG: 4004400 17.7705 -44.6812 29.8721 -44.6813 -100.067 -10.0974 29.8721 -10.0975 66.6511 GPRESSAVG: 4004400 18.3434 -46.8366 31.865 -45.1422 -101.215 -10.2872 31.0156 -10.1833 67.3104 TIMING: 4004400 CPU: 11637.8, 0.00295577/step Wall: 11637.8, 0.00295577/step, 0.817435 hours remaining, 208.964844 MB of memory in use. ENERGY: 4004400 777.2229 2089.4423 1964.8541 110.0750 -206306.2081 17772.1935 0.0000 0.0000 34567.3944 -149025.0258 301.8857 -183592.4202 -148927.3836 300.3449 -235.8310 -203.1106 558780.2025 -5.2151 -5.1872 PRESSURE: 4004600 -42.9022 39.6302 45.2595 39.6306 -61.9957 70.4649 45.2594 70.4664 -165.264 GPRESSURE: 4004600 19.5648 62.5879 34.3469 91.4688 -56.9862 168.59 84.8229 9.90894 -130.34 PRESSAVG: 4004600 12.2707 -23.5716 -7.40733 -23.5715 -42.0141 0.130616 -7.40738 0.130677 96.0113 GPRESSAVG: 4004600 10.9547 -21.9482 -6.53066 -24.0001 -40.7152 -0.577782 -6.92835 -0.683775 96.4492 TIMING: 4004600 CPU: 11638.3, 0.00289841/step Wall: 11638.3, 0.00289841/step, 0.801411 hours remaining, 209.167969 MB of memory in use. ENERGY: 4004600 778.6398 2063.9588 1972.0126 110.7560 -206089.5127 17807.8166 0.0000 0.0000 34354.4172 -149001.9116 300.0257 -183356.3288 -148900.3696 300.3633 -90.0540 -55.9204 557061.7049 22.0893 22.2296 PRESSURE: 4004800 33.388 194.778 13.9729 194.778 -256.573 254.588 13.9729 254.588 143.453 GPRESSURE: 4004800 93.1439 175.074 22.7324 138.909 -225.026 260.931 33.5487 182.993 150.719 PRESSAVG: 4004800 -4.85302 39.2854 -9.58504 39.2855 -29.1813 -13.1878 -9.58503 -13.1878 67.7218 GPRESSAVG: 4004800 -4.74731 38.4858 -8.75675 38.6595 -29.9859 -12.5139 -9.91749 -11.6261 68.2309 TIMING: 4004800 CPU: 11638.9, 0.00289168/step Wall: 11638.9, 0.00289168/step, 0.799388 hours remaining, 209.167969 MB of memory in use. ENERGY: 4004800 718.1925 2126.0592 1967.9659 116.3555 -206005.6991 17684.9369 0.0000 0.0000 34531.2209 -148860.9682 301.5697 -183392.1891 -148761.6535 300.1972 -26.5775 6.2790 556893.2763 11.2291 11.1659 PRESSURE: 4005000 -108.884 -107.197 150.133 -107.197 -38.8818 28.3599 150.133 28.3618 264.843 GPRESSURE: 4005000 -64.1326 -96.1296 187.907 6.41458 -1.4496 7.98857 169.091 5.15287 282.745 PRESSAVG: 4005000 -56.528 -7.19592 28.6829 -7.19595 40.5331 -17.2655 28.683 -17.2654 -5.86833 GPRESSAVG: 4005000 -56.9207 -5.31384 27.2845 -9.11336 40.8086 -17.0058 28.9019 -19.8973 -5.51007 TIMING: 4005000 CPU: 11639.5, 0.00291308/step Wall: 11639.5, 0.00291308/step, 0.805143 hours remaining, 209.167969 MB of memory in use. ENERGY: 4005000 732.5188 2068.4204 1971.0374 116.7662 -206019.7371 17806.7019 0.0000 0.0000 34332.7431 -148991.5492 299.8364 -183324.2923 -148893.9485 301.0622 39.0256 72.3875 557762.0412 -7.2878 -7.2074 PRESSURE: 4005200 100.695 69.9554 11.6116 69.9559 123.809 174.363 11.613 174.364 -304.444 GPRESSURE: 4005200 129.695 32.8815 -51.0097 9.56048 99.4377 150.463 11.0254 193.928 -218.656 PRESSAVG: 4005200 -19.2691 -59.1267 74.7017 -59.1267 59.9345 34.8703 74.7016 34.8704 -14.9871 GPRESSAVG: 4005200 -18.8355 -61.6194 74.9515 -57.9507 59.5183 36.0367 74.4453 34.2154 -14.4942 TIMING: 4005200 CPU: 11640.1, 0.00291108/step Wall: 11640.1, 0.00291108/step, 0.804428 hours remaining, 209.167969 MB of memory in use. ENERGY: 4005200 778.4220 2133.3924 1956.6708 105.5240 -205874.8940 17713.4443 0.0000 0.0000 34474.0912 -148713.3494 301.0708 -183187.4406 -148617.6380 299.9010 -26.6468 3.4920 557879.2588 8.5594 8.7295 PRESSURE: 4005400 -161.976 -10.7116 171.736 -10.7124 -4.86432 67.7187 171.737 67.719 -208.408 GPRESSURE: 4005400 -140.445 -44.9889 143.717 40.1937 10.4521 -23.3526 149.511 112.831 -135.315 PRESSAVG: 4005400 13.9942 7.18056 82.3153 7.18047 19.5727 19.5772 82.3153 19.5772 -30.0214 GPRESSAVG: 4005400 14.7448 6.89812 81.8238 8.79482 20.6075 18.1788 82.229 21.448 -31.56 TIMING: 4005400 CPU: 11640.7, 0.00290829/step Wall: 11640.7, 0.00290829/step, 0.803495 hours remaining, 209.167969 MB of memory in use. ENERGY: 4005400 772.4715 2085.0672 1944.7728 113.5163 -205741.1475 17655.8886 0.0000 0.0000 34335.5747 -148833.8565 299.8611 -183169.4311 -148740.3418 300.4561 -125.0830 -88.4358 557425.8384 1.1818 1.2641 PRESSURE: 4005600 -73.3497 -254.184 -46.7661 -254.184 -154.944 116.004 -46.7657 116.005 48.6706 GPRESSURE: 4005600 -47.502 -245.824 -63.4684 -257.201 -97.3529 102.407 -65.6684 88.404 58.0536 PRESSAVG: 4005600 -63.9329 14.9663 0.655011 14.9663 37.0655 -26.6496 0.654992 -26.6494 -18.7759 GPRESSAVG: 4005600 -63.6748 13.8661 1.17634 14.0794 35.5352 -24.1058 1.49446 -27.7657 -17.1737 TIMING: 4005600 CPU: 11641.2, 0.00291718/step Wall: 11641.2, 0.00291718/step, 0.805791 hours remaining, 209.167969 MB of memory in use. ENERGY: 4005600 750.0691 2080.1613 1968.6117 121.4980 -205631.0723 17506.6784 0.0000 0.0000 34473.1142 -148730.9396 301.0623 -183204.0539 -148635.9505 300.4490 -59.8745 -28.9338 557639.0217 -15.2144 -15.1044 PRESSURE: 4005800 -1.80242 179.125 3.66446 179.125 -122.697 -57.4916 3.66614 -57.4902 -232.571 GPRESSURE: 4005800 21.1409 135.325 62.2368 228.597 -152.136 -37.4634 6.4762 -115.562 -126.611 PRESSAVG: 4005800 -25.5351 -57.3136 -26.5149 -57.3135 50.039 40.1543 -26.5147 40.1543 -33.2971 GPRESSAVG: 4005800 -26.206 -56.6325 -25.5311 -56.5111 50.5922 36.8781 -28.6415 42.1734 -33.6954 TIMING: 4005800 CPU: 11641.8, 0.00290491/step Wall: 11641.8, 0.00290491/step, 0.802241 hours remaining, 209.167969 MB of memory in use. ENERGY: 4005800 759.3089 2101.2158 1941.9422 119.6008 -205773.0205 17605.9264 0.0000 0.0000 34382.8963 -148862.1301 300.2744 -183245.0264 -148758.3287 300.3270 -119.0236 -85.8687 558785.9060 -2.9311 -3.1031 PRESSURE: 4006000 67.9126 19.1681 -99.1701 19.168 -7.35289 -20.5322 -99.1691 -20.5326 -114.989 GPRESSURE: 4006000 99.0617 53.3133 -33.4778 -34.039 40.7426 -74.8443 -71.431 -13.3564 -87.7531 PRESSAVG: 4006000 20.4857 8.08933 -11.6374 8.08932 4.32862 22.0345 -11.6374 22.0343 2.68081 GPRESSAVG: 4006000 20.991 9.46525 -13.1086 7.87696 3.56466 22.442 -9.26943 21.3055 2.69547 TIMING: 4006000 CPU: 11642.4, 0.00290404/step Wall: 11642.4, 0.00290404/step, 0.801838 hours remaining, 209.300781 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: 4006000 769.5789 2080.7545 1971.4666 101.4180 -205924.4664 17845.0834 0.0000 0.0000 34155.7495 -149000.4155 298.2907 -183156.1650 -148894.1914 299.7250 -18.1432 17.3504 558156.1424 9.1651 9.0837 PRESSURE: 4006200 -144.329 72.6769 -67.1228 72.6753 5.32564 74.109 -67.1226 74.1094 -192.005 GPRESSURE: 4006200 -90.8439 59.9991 -52.8725 163.053 72.9533 114.456 -132.026 48.765 -220.044 PRESSAVG: 4006200 40.9801 23.1459 -35.6779 23.146 -10.506 -26.9082 -35.6778 -26.9081 -21.2515 GPRESSAVG: 4006200 41.1222 21.6925 -34.7368 23.8478 -9.55288 -25.4964 -38.0611 -26.509 -22.3811 TIMING: 4006200 CPU: 11643, 0.00287924/step Wall: 11643, 0.00287924/step, 0.794831 hours remaining, 209.300781 MB of memory in use. ENERGY: 4006200 725.9835 2102.1098 1946.1096 110.6225 -206142.3394 17705.3739 0.0000 0.0000 34577.2653 -148974.8748 301.9719 -183552.1400 -148880.0533 299.5982 -110.3361 -79.3116 559113.0089 3.0742 3.0627 PRESSURE: 4006400 -179.363 -21.209 13.7307 -21.209 103.499 6.80798 13.731 6.80867 -203.243 GPRESSURE: 4006400 -88.4243 -53.1206 -2.4479 -117.172 100.201 56.1094 -6.68179 95.7756 -189.396 PRESSAVG: 4006400 -11.846 48.31 -46.7097 48.3099 22.3417 24.5957 -46.7097 24.5958 -8.45707 GPRESSAVG: 4006400 -11.7245 50.0517 -45.7434 46.921 21.6058 24.8012 -45.2538 24.4559 -7.65199 TIMING: 4006400 CPU: 11643.6, 0.00288927/step Wall: 11643.6, 0.00288927/step, 0.797439 hours remaining, 209.300781 MB of memory in use. ENERGY: 4006400 747.0370 2075.6998 1964.0419 105.6967 -205678.9190 17663.4084 0.0000 0.0000 34343.2506 -148779.7846 299.9281 -183123.0352 -148679.9092 300.0169 -93.0356 -59.2066 560085.5033 0.6795 0.7431 PRESSURE: 4006600 -27.0363 -16.2222 19.8141 -16.2234 -101.523 -17.9488 19.8121 -17.9484 8.77595 GPRESSURE: 4006600 0.494958 -69.6885 28.6069 -2.49998 -30.8518 -27.0442 37.9168 14.357 7.27446 PRESSAVG: 4006600 8.65056 33.5446 -1.08786 33.5446 -15.9669 49.8379 -1.0879 49.8379 21.5235 GPRESSAVG: 4006600 8.06602 32.7762 -0.97132 32.7853 -14.6708 49.6027 -0.222208 49.1984 21.0356 TIMING: 4006600 CPU: 11644.1, 0.00289745/step Wall: 11644.1, 0.00289745/step, 0.799535 hours remaining, 209.300781 MB of memory in use. ENERGY: 4006600 752.3350 2096.9976 1937.2585 103.7782 -205926.6140 17757.9353 0.0000 0.0000 34340.2167 -148938.0927 299.9017 -183278.3094 -148840.4750 299.6365 -39.9278 -7.6941 559231.4105 4.7357 4.8103 PRESSURE: 4006800 -122.888 -9.6416 11.8288 -9.64101 -326.609 -1.12796 11.8298 -1.12889 104.365 GPRESSURE: 4006800 -71.3962 -27.5875 16.0206 31.6788 -287.829 -10.4308 56.1292 -0.170942 106.363 PRESSAVG: 4006800 -26.2523 2.30951 -14.141 2.30955 -0.148793 39.6652 -14.1408 39.6653 3.7197 GPRESSAVG: 4006800 -27.1156 3.50573 -15.4494 3.36436 0.25127 37.7816 -14.6819 41.3963 4.47047 TIMING: 4006800 CPU: 11644.7, 0.00290807/step Wall: 11644.7, 0.00290807/step, 0.802304 hours remaining, 209.300781 MB of memory in use. ENERGY: 4006800 710.6374 2124.6868 1931.4034 110.5929 -205792.3782 17673.0838 0.0000 0.0000 34324.2133 -148917.7606 299.7619 -183241.9739 -148818.6866 300.2247 -115.0441 -84.2874 559856.1504 -7.5605 -7.4646 PRESSURE: 4007000 225.265 -202.039 113.372 -202.04 -9.54828 -18.8687 113.372 -18.869 -137.087 GPRESSURE: 4007000 243.402 -184.619 126.18 -176.676 -0.588789 11.6087 87.763 -60.2399 -71.4694 PRESSAVG: 4007000 44.7904 15.5174 24.2589 15.5173 -32.5963 9.55716 24.2589 9.55711 -42.5075 GPRESSAVG: 4007000 45.7109 16.2317 25.6499 15.195 -33.3881 11.3883 23.3205 7.9763 -43.0454 TIMING: 4007000 CPU: 11645.3, 0.00289825/step Wall: 11645.3, 0.00289825/step, 0.799435 hours remaining, 209.300781 MB of memory in use. ENERGY: 4007000 748.8876 2049.5586 1942.3248 119.1240 -206167.4943 17968.2670 0.0000 0.0000 34414.5757 -148924.7566 300.5510 -183339.3323 -148824.5167 299.4446 26.2099 57.1146 560107.7087 -10.1045 -10.2409 PRESSURE: 4007200 55.4919 36.1504 -0.368723 36.1497 5.78369 -12.6025 -0.368362 -12.603 206.3 GPRESSURE: 4007200 115.945 60.0849 174.316 45.5655 14.8411 73.8781 -2.43326 -29.2109 238.504 PRESSAVG: 4007200 17.7432 -67.6261 7.32365 -67.6262 -57.6059 19.4606 7.32375 19.4606 -6.7835 GPRESSAVG: 4007200 18.5291 -68.9085 7.7704 -67.8866 -58.5624 19.7232 6.58502 19.7589 -6.62648 TIMING: 4007200 CPU: 11645.9, 0.00289397/step Wall: 11645.9, 0.00289397/step, 0.798092 hours remaining, 209.300781 MB of memory in use. ENERGY: 4007200 760.0795 2051.2346 1949.2105 109.6797 -206258.8399 17887.7391 0.0000 0.0000 34589.6724 -148911.2240 302.0802 -183500.8964 -148824.7094 299.5441 89.1918 123.0965 557963.0786 -15.5487 -15.5533 PRESSURE: 4007400 -104.258 8.43698 -161.849 8.43634 -109.148 52.3657 -161.847 52.3648 -160.99 GPRESSURE: 4007400 -68.8803 -20.8564 -156.35 41.3904 -56.3825 -11.5741 -109.844 91.0208 -165.712 PRESSAVG: 4007400 -42.6627 10.8181 -10.7496 10.8181 20.2931 22.5029 -10.7495 22.5028 31.8867 GPRESSAVG: 4007400 -43.6008 10.345 -11.9496 13.019 21.0895 22.1496 -11.0517 21.9313 31.6863 TIMING: 4007400 CPU: 11646.5, 0.00291256/step Wall: 11646.5, 0.00291256/step, 0.803057 hours remaining, 209.300781 MB of memory in use. ENERGY: 4007400 743.7186 2076.8318 1955.4440 112.1995 -205837.4781 17529.3861 0.0000 0.0000 34499.2841 -148920.6141 301.2908 -183419.8982 -148827.2119 299.9033 -124.7984 -96.9914 558256.4387 3.1724 3.0583 PRESSURE: 4007600 -125.297 58.9448 -205.702 58.9452 -62.4056 -202.956 -205.702 -202.955 -97.4126 GPRESSURE: 4007600 -113.001 50.6073 -135.958 83.8368 -24.4971 -139.325 -242.656 -184.277 -35.6163 PRESSAVG: 4007600 -20.2101 -5.09549 46.8492 -5.09544 -23.7647 21.179 46.8492 21.179 23.3567 GPRESSAVG: 4007600 -19.7546 -5.52993 48.3921 -5.83735 -24.5057 20.3796 46.2159 20.7752 23.49 TIMING: 4007600 CPU: 11647, 0.00288481/step Wall: 11647, 0.00288481/step, 0.795245 hours remaining, 209.300781 MB of memory in use. ENERGY: 4007600 734.4129 2099.4642 1959.3218 128.0100 -206085.0945 17749.9028 0.0000 0.0000 34477.4588 -148936.5241 301.1002 -183413.9829 -148834.8678 300.8303 -95.0384 -57.7048 558044.2721 -6.8727 -6.9234 PRESSURE: 4007800 -255.488 33.385 -151.436 33.3858 -155.53 -1.5326 -151.436 -1.53306 -5.99477 GPRESSURE: 4007800 -188.287 -5.62678 -190.86 -38.0189 -125.933 19.8938 -66.8466 -47.7299 9.68058 PRESSAVG: 4007800 -48.3521 -57.6583 43.4522 -57.6584 19.4169 -42.1693 43.4522 -42.1694 15.4447 GPRESSAVG: 4007800 -49.0393 -57.2618 42.0589 -57.3824 20.3903 -43.9592 43.4464 -39.9063 14.8055 TIMING: 4007800 CPU: 11647.6, 0.00289417/step Wall: 11647.6, 0.00289417/step, 0.797666 hours remaining, 209.300781 MB of memory in use. ENERGY: 4007800 729.9880 2108.8332 1951.5689 106.5716 -205715.9860 17476.4608 0.0000 0.0000 34245.5297 -149097.0338 299.0747 -183342.5635 -149004.6411 299.7480 -139.0044 -101.5132 558364.7402 -4.4968 -4.6145 PRESSURE: 4008000 51.6831 -44.5029 234.074 -44.5023 -284.82 -51.6231 234.074 -51.6219 -291.09 GPRESSURE: 4008000 140.064 -88.9 280.37 -61.4866 -260.976 -83.8433 185.546 -27.4469 -313.626 PRESSAVG: 4008000 20.8238 -13.7748 14.4257 -13.7748 31.8566 -24.5194 14.4256 -24.5193 -28.4777 GPRESSAVG: 4008000 21.5241 -15.2413 15.404 -12.0564 30.8891 -22.5735 15.1674 -24.6284 -28.1686 TIMING: 4008000 CPU: 11648.2, 0.00289233/step Wall: 11648.2, 0.00289233/step, 0.796997 hours remaining, 209.300781 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: 4008000 767.9748 2142.0987 1961.6878 102.3204 -205868.3780 17478.0401 0.0000 0.0000 34304.6216 -149111.6347 299.5908 -183416.2563 -149010.4746 299.6413 -174.7421 -144.8459 557146.3899 8.0676 8.0815 PRESSURE: 4008200 52.1107 205.834 -35.7455 205.833 234.336 177.779 -35.7446 177.781 4.46968 GPRESSURE: 4008200 122.611 163.465 -75.8118 248.308 259.625 171.16 -1.42983 117.932 10.942 PRESSAVG: 4008200 27.7946 -5.51524 42.116 -5.5153 11.2828 -53.2944 42.1159 -53.2944 2.51243 GPRESSAVG: 4008200 26.8376 -4.17547 41.677 -7.68246 11.78 -53.0147 43.9578 -53.3767 3.06588 TIMING: 4008200 CPU: 11648.8, 0.0029255/step Wall: 11648.8, 0.0029255/step, 0.805975 hours remaining, 209.300781 MB of memory in use. ENERGY: 4008200 751.4410 2097.4015 1956.2316 122.5397 -206428.0531 18028.9985 0.0000 0.0000 34154.7373 -149316.7035 298.2818 -183471.4407 -149216.1162 298.6235 96.9721 131.0594 556156.1090 13.8633 13.8945 LDB: ============= START OF LOAD BALANCING ============== 11652.3 LDB: ============== END OF LOAD BALANCING =============== 11652.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11652.3 LDB: ============= START OF LOAD BALANCING ============== 11652.5 LDB: Largest compute 4848 load 0.028865 is 24.5% of average load 0.117787 LDB: Average compute 0.001739 is 1.5% of average load 0.117787 LDB: TIME 11652.5 LOAD: AVG 0.117787 MAX 0.177659 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.406 MB LDB: TIME 11652.5 LOAD: AVG 0.117787 MAX 0.177659 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: TIME 11652.5 LOAD: AVG 0.117787 MAX 0.177659 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.48 MB LDB: ============== END OF LOAD BALANCING =============== 11652.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11652.6 PRESSURE: 4008400 -219.675 199.095 82.6234 199.094 -309.766 -264.243 82.6222 -264.242 -408.883 GPRESSURE: 4008400 -214.71 85.9322 1.98317 255.559 -281.185 -264.984 137.713 -313.089 -350.93 PRESSAVG: 4008400 23.3774 6.13946 39.7234 6.13949 -33.1267 23.7388 39.7235 23.7387 -29.7361 GPRESSAVG: 4008400 24.159 4.76116 39.0138 5.9676 -33.4419 23.1208 39.444 23.278 -29.76 TIMING: 4008400 CPU: 11649.4, 0.00296404/step Wall: 11649.4, 0.00296404/step, 0.816429 hours remaining, 208.187500 MB of memory in use. ENERGY: 4008400 775.6386 2115.2055 1954.9173 120.8939 -206086.8669 17532.8106 0.0000 0.0000 34240.2930 -149347.1080 299.0290 -183587.4010 -149253.1322 299.3302 -312.7746 -282.2751 558674.9610 -13.1618 -13.0143 PRESSURE: 4008600 -226.375 19.2598 136.271 19.2588 -176.653 -22.5286 136.271 -22.5285 20.3661 GPRESSURE: 4008600 -231.893 57.8918 65.0734 25.6651 -104.894 -65.2646 151.415 -25.2513 54.3477 PRESSAVG: 4008600 -33.9373 -4.38813 -7.39725 -4.38821 -36.7627 -7.4369 -7.3973 -7.43701 48.1752 GPRESSAVG: 4008600 -34.5348 -4.48588 -8.42965 -4.3008 -35.7587 -6.65029 -7.03475 -6.61679 48.2287 TIMING: 4008600 CPU: 11650, 0.00290481/step Wall: 11650, 0.00290481/step, 0.799951 hours remaining, 208.390625 MB of memory in use. ENERGY: 4008600 766.5560 2144.3656 1963.0650 103.2395 -206174.0466 17710.8478 0.0000 0.0000 34148.4036 -149337.5692 298.2265 -183485.9727 -149246.0803 298.5787 -127.5540 -94.1466 557295.1338 -7.5083 -7.3549 PRESSURE: 4008800 -162.12 63.891 -185.916 63.8913 -188.647 18.1892 -185.915 18.1878 -312.915 GPRESSURE: 4008800 -113.171 43.6002 -138.635 10.5457 -154.501 82.6972 -98.6912 37.3964 -293.377 PRESSAVG: 4008800 -36.2298 -11.9949 30.3942 -11.9951 10.0498 -7.5499 30.3941 -7.54983 12.7623 GPRESSAVG: 4008800 -34.3707 -10.4336 31.3666 -12.6607 9.34164 -6.85473 31.7202 -8.44464 11.8878 TIMING: 4008800 CPU: 11650.5, 0.00289498/step Wall: 11650.5, 0.00289498/step, 0.797084 hours remaining, 208.390625 MB of memory in use. ENERGY: 4008800 765.4860 2157.7492 1975.5665 120.4541 -205765.6772 17607.9720 0.0000 0.0000 33967.1339 -149171.3156 296.6434 -183138.4495 -149075.3076 299.1228 -221.2276 -187.0165 559484.3328 -4.4726 -4.3804 PRESSURE: 4009000 108.623 -59.7223 96.9571 -59.7218 -152.34 -300.1 96.9582 -300.102 264.357 GPRESSURE: 4009000 118.523 -117.596 139.007 -18.7725 -92.0604 -358.142 103.319 -297.51 306.512 PRESSAVG: 4009000 -32.0951 -22.4345 20.4383 -22.4345 26.9702 -20.9141 20.4381 -20.9141 36.5292 GPRESSAVG: 4009000 -32.0749 -23.4562 20.9589 -21.4993 26.0793 -20.3331 20.2007 -21.1913 37.8796 TIMING: 4009000 CPU: 11651.1, 0.00290228/step Wall: 11651.1, 0.00290228/step, 0.798933 hours remaining, 208.390625 MB of memory in use. ENERGY: 4009000 773.2042 2139.1082 1968.4059 116.0097 -206429.6805 18132.4708 0.0000 0.0000 34151.4055 -149149.0762 298.2527 -183300.4817 -149062.5936 299.1677 73.5468 110.9918 558496.7579 10.4681 10.6280 PRESSURE: 4009200 -170.224 12.378 160.141 12.3787 -276.967 -42.4752 160.139 -42.4749 51.0206 GPRESSURE: 4009200 -123.846 118.652 107.339 -92.5434 -245.866 10.9707 198.137 -79.2384 71.8617 PRESSAVG: 4009200 -53.4004 -20.8383 24.127 -20.8383 47.5816 -60.8768 24.1269 -60.8767 -10.1282 GPRESSAVG: 4009200 -54.9976 -20.1725 24.7289 -20.5946 47.5753 -61.9475 22.7747 -61.213 -8.9162 TIMING: 4009200 CPU: 11651.7, 0.00289018/step Wall: 11651.7, 0.00289018/step, 0.795443 hours remaining, 208.390625 MB of memory in use. ENERGY: 4009200 759.6006 2108.9554 1953.8684 131.5917 -205997.0155 17627.5554 0.0000 0.0000 34412.0817 -149003.3623 300.5293 -183415.4440 -148903.5391 299.5589 -132.0567 -99.2834 558956.9192 -5.3157 -5.4461 PRESSURE: 4009400 -138.14 15.5164 129.948 15.5159 254.195 157.035 129.95 157.036 -63.3019 GPRESSURE: 4009400 -59.2545 88.3454 74.9998 33.156 232.33 162.287 127.819 177.767 -21.4576 PRESSAVG: 4009400 -11.4606 -55.3425 -6.65278 -55.3426 23.7502 -26.7689 -6.65283 -26.7689 17.1141 GPRESSAVG: 4009400 -10.3054 -54.7263 -6.97417 -55.7529 25.804 -27.6102 -7.97061 -27.2151 14.3331 TIMING: 4009400 CPU: 11652.3, 0.00287637/step Wall: 11652.3, 0.00287637/step, 0.791481 hours remaining, 208.390625 MB of memory in use. ENERGY: 4009400 777.5725 2105.0851 1941.1304 100.7618 -206328.6626 17989.1738 0.0000 0.0000 34290.9014 -149124.0376 299.4710 -183414.9389 -149025.1460 299.8280 17.5842 50.5393 557587.2953 9.8012 9.9439 PRESSURE: 4009600 202.871 210.746 36.7337 210.747 0.986691 -54.5609 36.7345 -54.5605 188.985 GPRESSURE: 4009600 312.152 196.573 21.7331 175.976 2.40338 -42.3094 22.654 -40.6276 175.659 PRESSAVG: 4009600 -4.45635 -1.71759 1.35622 -1.71763 11.1911 11.4367 1.35622 11.4367 54.977 GPRESSAVG: 4009600 -4.06043 -3.22366 1.68016 -0.260042 9.80675 10.277 -0.220433 11.7868 56.3631 TIMING: 4009600 CPU: 11652.9, 0.00289507/step Wall: 11652.9, 0.00289507/step, 0.796466 hours remaining, 208.390625 MB of memory in use. ENERGY: 4009600 806.0601 2054.3125 1952.0365 127.6846 -206351.4804 18179.8925 0.0000 0.0000 34065.4229 -149166.0713 297.5018 -183231.4942 -149070.0755 299.0021 130.9475 163.4048 558417.9315 20.5706 20.7031 PRESSURE: 4009800 160.654 141.085 104.036 141.085 -79.4284 -46.8077 104.036 -46.8088 11.3131 GPRESSURE: 4009800 171.632 145.453 56.1818 131.847 -67.7212 -69.5723 171.717 -10.5239 85.5664 PRESSAVG: 4009800 -68.5416 17.4402 -45.3306 17.44 5.40773 -44.8428 -45.3306 -44.8427 58.471 GPRESSAVG: 4009800 -69.7312 16.3486 -46.8415 16.9278 5.29465 -42.9327 -44.3467 -42.7468 59.4929 TIMING: 4009800 CPU: 11653.4, 0.00288794/step Wall: 11653.4, 0.00288794/step, 0.794344 hours remaining, 208.390625 MB of memory in use. ENERGY: 4009800 731.9841 2101.3884 1943.3047 118.6038 -206471.0307 18172.2001 0.0000 0.0000 34250.2008 -149153.3488 299.1155 -183403.5496 -149059.1772 299.0186 30.8462 63.1589 559381.7006 -1.5543 -1.6479 PRESSURE: 4010000 -103.859 -6.17591 -19.2759 -6.17431 -28.6953 152.025 -19.2763 152.025 -18.6456 GPRESSURE: 4010000 -72.2747 11.6127 -31.8852 -16.8442 6.25585 114.717 8.17571 173.249 9.86808 PRESSAVG: 4010000 -21.7409 16.482 -12.6071 16.4821 -8.90264 -6.18982 -12.607 -6.18989 40.535 GPRESSAVG: 4010000 -20.6987 18.687 -13.3822 16.282 -9.39352 -5.94255 -10.9094 -9.07029 40.1307 TIMING: 4010000 CPU: 11654, 0.00288719/step Wall: 11654, 0.00288719/step, 0.793978 hours remaining, 208.449219 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: 4010000 715.8127 2087.6251 1952.8805 123.5661 -206278.1665 17950.1785 0.0000 0.0000 34298.6015 -149149.5022 299.5382 -183448.1037 -149057.3824 299.5827 -50.3998 -18.7169 557513.8482 3.2971 3.3462 PRESSURE: 4010200 -217.906 -76.119 -118.966 -76.1178 -9.83909 130.226 -118.965 130.226 44.5101 GPRESSURE: 4010200 -148.928 -31.9776 -70.7942 -23.1103 -6.86218 122.203 -181.511 132.165 76.1227 PRESSAVG: 4010200 -22.8667 -19.3919 -41.7462 -19.392 -35.5726 42.8333 -41.7461 42.8333 88.0799 GPRESSAVG: 4010200 -23.1167 -19.9225 -41.4729 -19.2658 -34.8609 42.7729 -42.8131 44.7411 87.6363 TIMING: 4010200 CPU: 11654.6, 0.00288071/step Wall: 11654.6, 0.00288071/step, 0.792034 hours remaining, 208.449219 MB of memory in use. ENERGY: 4010200 767.0659 2055.3524 1962.3929 119.6853 -205882.1163 17646.2175 0.0000 0.0000 34386.3409 -148945.0614 300.3045 -183331.4023 -148848.4360 299.5280 -61.0784 -26.5559 558299.8192 9.8802 9.8862 PRESSURE: 4010400 71.8031 52.7 -43.5877 52.7011 150.194 -178.52 -43.5888 -178.519 193.942 GPRESSURE: 4010400 65.8691 -22.8111 46.8649 32.324 152.533 -166.598 -94.6349 -125.138 284.749 PRESSAVG: 4010400 -40.4118 59.5956 -63.7767 59.5955 -14.9696 6.91584 -63.7767 6.91583 45.9236 GPRESSAVG: 4010400 -40.8339 59.6594 -61.5849 59.7418 -14.8316 7.76186 -65.0964 5.60918 45.8347 TIMING: 4010400 CPU: 11655.2, 0.00290897/step Wall: 11655.2, 0.00290897/step, 0.799642 hours remaining, 208.449219 MB of memory in use. ENERGY: 4010400 772.3799 2085.8070 1972.8995 125.5510 -206227.2771 17961.1388 0.0000 0.0000 34352.2922 -148957.2088 300.0071 -183309.5009 -148863.7460 299.9442 138.6464 167.7170 557369.6159 -3.1526 -3.2770 PRESSURE: 4010600 5.7869 -26.1754 -38.4649 -26.1744 -19.8056 -35.4464 -38.465 -35.4478 -392.701 GPRESSURE: 4010600 -20.1303 72.9518 43.0564 3.94511 12.0583 -64.1753 -58.1641 -47.5826 -306.203 PRESSAVG: 4010600 -44.486 9.05983 8.03473 9.05977 43.4885 -25.1014 8.03476 -25.1015 -33.8899 GPRESSAVG: 4010600 -44.1403 9.54275 5.7041 9.77858 42.5032 -27.2128 11.0391 -23.8199 -33.7274 TIMING: 4010600 CPU: 11655.7, 0.00290956/step Wall: 11655.7, 0.00290956/step, 0.799643 hours remaining, 208.449219 MB of memory in use. ENERGY: 4010600 784.1040 2090.3163 1981.9059 113.8566 -205745.9359 17641.0680 0.0000 0.0000 34128.0558 -149006.6293 298.0488 -183134.6851 -148907.3272 300.2777 -135.5733 -104.7585 558337.1297 -11.6291 -11.7882 PRESSURE: 4010800 62.6655 -69.4746 -47.2782 -69.4749 -0.583634 3.03062 -47.2788 3.02953 -222.348 GPRESSURE: 4010800 66.2482 38.2063 -101.462 -168.827 37.6179 50.2944 -76.1829 -42.9932 -163.708 PRESSAVG: 4010800 45.0664 -0.0952353 3.85158 -0.0951561 -4.73087 -39.91 3.85143 -39.91 -14.0973 GPRESSAVG: 4010800 45.7749 -0.0119571 2.77042 -1.15957 -5.17224 -38.6027 1.77917 -40.9878 -14.3656 TIMING: 4010800 CPU: 11656.3, 0.00289047/step Wall: 11656.3, 0.00289047/step, 0.794237 hours remaining, 208.449219 MB of memory in use. ENERGY: 4010800 750.9290 2130.0050 1994.8609 107.4063 -205960.0342 17718.1174 0.0000 0.0000 34324.7410 -148933.9746 299.7665 -183258.7156 -148834.5231 299.7218 -53.4219 -19.9473 557822.1075 8.7461 8.7457 PRESSURE: 4011000 37.7552 87.1299 33.4419 87.1306 59.2187 58.1747 33.4423 58.1751 -65.6663 GPRESSURE: 4011000 77.7484 97.1769 78.9476 34.6208 71.9851 -66.615 -18.6395 115.329 -21.9272 PRESSAVG: 4011000 8.70319 -3.11613 -22.8391 -3.11607 23.0348 -33.9654 -22.8391 -33.9655 -22.8242 GPRESSAVG: 4011000 7.79671 -3.03948 -21.5162 -2.05381 23.2234 -34.7499 -21.6091 -32.9267 -22.1913 TIMING: 4011000 CPU: 11656.9, 0.00289653/step Wall: 11656.9, 0.00289653/step, 0.795742 hours remaining, 208.449219 MB of memory in use. ENERGY: 4011000 742.7205 2083.8498 1992.8051 121.2689 -206178.3102 17904.7154 0.0000 0.0000 34185.0078 -149147.9428 298.5462 -183332.9505 -149051.7911 299.7401 10.4358 42.6021 557964.6452 2.9713 2.9429 PRESSURE: 4011200 -36.1487 85.7743 42.9638 85.7749 -50.4265 37.8893 42.9626 37.8885 -27.6045 GPRESSURE: 4011200 34.2696 6.7725 35.9337 87.6053 -48.768 87.3022 25.5595 53.9021 -5.15177 PRESSAVG: 4011200 -1.93285 -3.44497 9.9101 -3.44498 15.907 -21.9436 9.91007 -21.9435 1.82024 GPRESSAVG: 4011200 -1.35696 -4.19159 9.98524 -4.03549 16.0308 -20.9677 9.43416 -22.0226 1.17105 TIMING: 4011200 CPU: 11657.5, 0.00290576/step Wall: 11657.5, 0.00290576/step, 0.798114 hours remaining, 208.683594 MB of memory in use. ENERGY: 4011200 708.7307 2078.9359 1976.7631 116.2424 -206115.3228 17834.8055 0.0000 0.0000 34300.3227 -149099.5225 299.5532 -183399.8452 -149004.3498 298.9934 -38.0599 -6.5500 558298.2590 5.2648 5.2816 PRESSURE: 4011400 -393.541 63.7642 -12.5323 63.7628 -146.31 -228.346 -12.5315 -228.347 -91.0411 GPRESSURE: 4011400 -299.634 67.7326 -35.2804 -38.0958 -138.118 -180.125 54.3894 -240.619 -99.0127 PRESSAVG: 4011400 -23.461 1.14366 12.8973 1.14361 0.0165494 -75.8004 12.8973 -75.8003 53.5032 GPRESSAVG: 4011400 -23.4796 0.513261 10.7041 1.717 -0.219023 -75.1389 10.9277 -76.8258 53.9359 TIMING: 4011400 CPU: 11658.1, 0.0028983/step Wall: 11658.1, 0.0028983/step, 0.795904 hours remaining, 208.683594 MB of memory in use. ENERGY: 4011400 764.0877 2075.5073 1985.6009 102.2078 -206042.2392 17634.7905 0.0000 0.0000 34363.3715 -149116.6735 300.1039 -183480.0450 -149021.9032 299.6910 -210.2977 -178.9216 559484.0260 10.0196 10.0791 PRESSURE: 4011600 -163.398 -74.3021 -95.8278 -74.3034 -282.259 178.897 -95.8275 178.897 -87.1224 GPRESSURE: 4011600 -118.573 -17.054 2.60523 -73.083 -280.565 132.561 -224.926 151.673 -38.7621 PRESSAVG: 4011600 -9.60448 42.4642 -23.2667 42.4642 -54.1841 -10.5381 -23.2667 -10.5381 38.3065 GPRESSAVG: 4011600 -10.3168 41.3626 -20.9108 44.5182 -53.32 -11.9668 -24.121 -10.1392 38.32 TIMING: 4011600 CPU: 11658.6, 0.00288511/step Wall: 11658.6, 0.00288511/step, 0.792122 hours remaining, 208.683594 MB of memory in use. ENERGY: 4011600 746.6763 2076.4018 1945.5908 113.3402 -206061.9668 17621.6345 0.0000 0.0000 34292.9504 -149265.3727 299.4889 -183558.3232 -149168.8302 299.2806 -177.5934 -145.9666 559109.5947 -8.4940 -8.4389 PRESSURE: 4011800 -113.898 1.66765 -42.3406 1.66742 -70.1274 -43.444 -42.3418 -43.4437 278.286 GPRESSURE: 4011800 -117.913 -61.9862 -37.8369 29.1329 -13.7503 -121.953 -1.33911 6.53837 329.92 PRESSAVG: 4011800 -28.8869 14.1119 24.6521 14.1118 35.6362 -3.06348 24.652 -3.06336 42.9479 GPRESSAVG: 4011800 -28.4344 17.8287 23.713 10.9881 35.3249 -2.12463 27.6257 -3.26182 42.8916 TIMING: 4011800 CPU: 11659.2, 0.00291896/step Wall: 11659.2, 0.00291896/step, 0.801255 hours remaining, 208.683594 MB of memory in use. ENERGY: 4011800 731.2993 2085.9192 1939.9375 112.0248 -206048.9020 17904.4364 0.0000 0.0000 34103.8544 -149171.4304 297.8374 -183275.2848 -149076.5883 298.5197 31.4200 66.0856 558214.1673 16.5657 16.5940 PRESSURE: 4012000 -56.2997 196.229 -4.51792 196.228 -365.578 -146.504 -4.51731 -146.505 135.816 GPRESSURE: 4012000 -34.7492 230.824 17.2503 111.257 -324.351 -196.077 -9.52087 -183.143 176.437 PRESSAVG: 4012000 -75.8927 32.9428 -20.957 32.9428 72.3677 7.81051 -20.957 7.81046 56.1225 GPRESSAVG: 4012000 -76.4137 30.534 -20.705 32.4445 71.82 8.82292 -20.3064 7.88161 57.1186 TIMING: 4012000 CPU: 11659.8, 0.00291496/step Wall: 11659.8, 0.00291496/step, 0.799995 hours remaining, 208.683594 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: 4012000 748.5021 2044.9040 1962.0956 113.5543 -205944.8449 17696.9689 0.0000 0.0000 34108.4154 -149270.4046 297.8773 -183378.8200 -149169.7514 298.0382 -95.3539 -60.8877 558835.9576 17.5325 17.5083 PRESSURE: 4012200 -126.136 71.1118 -93.7814 71.1105 115.381 -279.932 -93.7806 -279.931 -109.781 GPRESSURE: 4012200 -76.7149 100.549 -134.082 13.1933 121.807 -198.229 -140.708 -245.686 -79.294 PRESSAVG: 4012200 2.84962 13.5917 -19.128 13.5917 -3.80472 -22.7873 -19.1281 -22.7873 12.833 GPRESSAVG: 4012200 4.2689 13.8665 -17.9728 15.6269 -3.95309 -25.7848 -19.8071 -22.7704 11.2286 TIMING: 4012200 CPU: 11660.4, 0.00289479/step Wall: 11660.4, 0.00289479/step, 0.794298 hours remaining, 208.683594 MB of memory in use. ENERGY: 4012200 718.4884 2037.6771 1984.9935 122.4717 -206065.5540 17813.1054 0.0000 0.0000 34135.6156 -149253.2024 298.1148 -183388.8180 -149151.7712 298.8074 -40.1787 -11.4005 558275.5429 3.9593 3.8481 LDB: ============= START OF LOAD BALANCING ============== 11663.9 LDB: ============== END OF LOAD BALANCING =============== 11663.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11663.9 LDB: ============= START OF LOAD BALANCING ============== 11664.1 LDB: Largest compute 4848 load 0.030160 is 25.6% of average load 0.117805 LDB: Average compute 0.001736 is 1.5% of average load 0.117805 LDB: TIME 11664.1 LOAD: AVG 0.117805 MAX 0.17979 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11664.1 LOAD: AVG 0.117805 MAX 0.17979 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 11664.1 LOAD: AVG 0.117805 MAX 0.17979 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: ============== END OF LOAD BALANCING =============== 11664.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11664.2 PRESSURE: 4012400 45.1521 -144.274 7.45403 -144.275 -89.7604 57.1511 7.45532 57.1515 63.5381 GPRESSURE: 4012400 55.7723 -129.501 127.563 -133.939 -43.2467 -17.2284 -10.789 42.8504 93.8417 PRESSAVG: 4012400 -10.4348 -9.95622 0.13997 -9.95613 -26.1408 -52.2088 0.140077 -52.2088 -14.3392 GPRESSAVG: 4012400 -10.2983 -7.84189 -0.998201 -12.0859 -26.9373 -48.7847 1.0083 -53.9923 -13.1952 TIMING: 4012400 CPU: 11661, 0.0029679/step Wall: 11661, 0.0029679/step, 0.814193 hours remaining, 207.617188 MB of memory in use. ENERGY: 4012400 694.1482 2111.7708 1949.7396 107.7098 -206370.6838 17924.2192 0.0000 0.0000 34169.5261 -149413.5701 298.4110 -183583.0962 -149314.8706 298.6308 6.3099 35.4558 558534.1088 -16.9716 -16.8103 PRESSURE: 4012600 -129.003 -157.033 32.6468 -157.034 -186.949 -116.67 32.6474 -116.671 94.4716 GPRESSURE: 4012600 -108.363 -212.274 -4.45234 -191.576 -173.454 -60.9923 33.3764 -5.06766 165.178 PRESSAVG: 4012600 -52.8764 -53.2415 -14.1433 -53.2416 -26.3803 26.7754 -14.1433 26.7755 86.9535 GPRESSAVG: 4012600 -53.2909 -53.03 -14.3148 -53.1324 -26.4938 25.5084 -16.3478 28.8216 87.3665 TIMING: 4012600 CPU: 11661.6, 0.00291303/step Wall: 11661.6, 0.00291303/step, 0.79898 hours remaining, 207.617188 MB of memory in use. ENERGY: 4012600 746.8923 2107.7979 1945.4428 103.9753 -206448.3483 17723.5280 0.0000 0.0000 34215.4646 -149605.2474 298.8122 -183820.7120 -149514.4189 298.6443 -73.8268 -38.8794 557271.1938 2.5656 2.5273 PRESSURE: 4012800 0.305044 -167.607 -157.094 -167.608 57.9299 -65.1834 -157.093 -65.1833 4.55702 GPRESSURE: 4012800 67.372 -146.565 -28.4014 -143.848 81.0679 -132.045 -207.721 -3.28807 -2.95448 PRESSAVG: 4012800 77.3185 8.8774 -32.1836 8.87747 -22.7499 41.1672 -32.1837 41.1672 -11.7866 GPRESSAVG: 4012800 77.2321 9.06906 -29.7311 10.9736 -22.0738 42.9729 -31.6143 39.725 -12.3909 TIMING: 4012800 CPU: 11662.1, 0.00288872/step Wall: 11662.1, 0.00288872/step, 0.792153 hours remaining, 207.617188 MB of memory in use. ENERGY: 4012800 769.5989 2124.6125 1925.9584 105.6457 -206300.7036 17942.2168 0.0000 0.0000 33993.6139 -149439.0574 296.8747 -183432.6714 -149340.2556 297.4936 20.9307 48.4951 556911.4798 14.2607 14.2558 PRESSURE: 4013000 98.1541 8.09842 -57.4027 8.09871 -91.2101 -5.59732 -57.4023 -5.59728 43.1111 GPRESSURE: 4013000 153.576 -81.0513 -90.6276 73.9515 -82.4376 21.9315 8.2512 -43.5137 82.0057 PRESSAVG: 4013000 -39.6129 -43.9087 -30.9934 -43.9087 56.3796 32.2096 -30.9933 32.2095 57.2575 GPRESSAVG: 4013000 -40.0122 -46.0769 -33.5819 -42.3343 56.0209 32.3346 -31.299 29.7056 57.6828 TIMING: 4013000 CPU: 11662.7, 0.00290151/step Wall: 11662.7, 0.00290151/step, 0.795496 hours remaining, 207.617188 MB of memory in use. ENERGY: 4013000 763.0041 2049.8351 1951.8784 96.4064 -206485.5169 18080.4357 0.0000 0.0000 34030.4821 -149513.4751 297.1967 -183543.9572 -149415.0397 297.6418 16.6850 51.0481 557544.9804 24.6747 24.5638 PRESSURE: 4013200 -14.422 8.63275 -95.3151 8.6318 63.6921 54.4105 -95.3146 54.4108 224.811 GPRESSURE: 4013200 -9.48987 15.9926 -143.744 61.7465 124.878 68.6276 -134.63 59.8279 265.239 PRESSAVG: 4013200 10.5338 -47.1829 -34.124 -47.1828 -28.9 -21.3502 -34.1239 -21.3501 -35.4083 GPRESSAVG: 4013200 10.912 -44.8945 -33.9628 -49.4433 -30.6477 -21.356 -35.3082 -18.6192 -34.2093 TIMING: 4013200 CPU: 11663.3, 0.00289234/step Wall: 11663.3, 0.00289234/step, 0.792822 hours remaining, 207.617188 MB of memory in use. ENERGY: 4013200 735.0976 2083.8990 1942.5736 101.5300 -206628.9630 18112.3728 0.0000 0.0000 34288.5475 -149364.9425 299.4504 -183653.4900 -149276.0437 298.4153 91.3604 126.8758 556588.3858 -17.9248 -17.9817 PRESSURE: 4013400 -74.527 76.6656 16.6194 76.6648 -329.426 94.9613 16.6191 94.9616 -119.952 GPRESSURE: 4013400 16.0732 28.7307 29.1902 122.65 -340.019 75.7841 -13.6552 -7.75487 -108.761 PRESSAVG: 4013400 -61.8314 -94.1247 10.7339 -94.1246 61.4464 24.0904 10.7339 24.0903 -2.09458 GPRESSAVG: 4013400 -61.4402 -96.7561 11.6246 -92.3616 62.6506 22.8281 11.3068 22.6774 -3.54741 TIMING: 4013400 CPU: 11663.9, 0.00291204/step Wall: 11663.9, 0.00291204/step, 0.798061 hours remaining, 207.617188 MB of memory in use. ENERGY: 4013400 728.0516 2101.9285 1949.8182 112.0885 -206327.5238 17774.5138 0.0000 0.0000 34354.8241 -149306.2990 300.0292 -183661.1231 -149210.0807 299.5246 -174.6350 -144.2356 559830.3224 -0.8265 -0.7790 PRESSURE: 4013600 -196.077 -80.9285 -84.6159 -80.927 164.276 -73.7589 -84.6167 -73.7583 140.789 GPRESSURE: 4013600 -167.755 -102.518 -77.7541 -16.5378 198.725 -71.4836 -38.478 -25.7215 180.944 PRESSAVG: 4013600 -6.10941 -33.5286 -24.0696 -33.5285 -21.4194 -74.0482 -24.0697 -74.0482 39.327 GPRESSAVG: 4013600 -6.95674 -33.6536 -24.2113 -36.0201 -21.2848 -74.45 -24.0052 -71.8482 39.8525 TIMING: 4013600 CPU: 11664.5, 0.00291256/step Wall: 11664.5, 0.00291256/step, 0.798042 hours remaining, 207.617188 MB of memory in use. ENERGY: 4013600 744.6230 2059.2904 1920.2437 112.7342 -206316.3808 17956.8889 0.0000 0.0000 34166.8984 -149355.7023 298.3880 -183522.6007 -149254.2137 298.9572 36.3292 70.6381 558164.4765 3.9327 3.8703 PRESSURE: 4013800 -88.796 -28.8597 -17.231 -28.8603 13.759 83.3533 -17.2307 83.3539 -6.47139 GPRESSURE: 4013800 4.00508 -22.5077 -42.2314 -26.4862 75.8356 75.2738 -18.0571 68.7147 -75.9275 PRESSAVG: 4013800 -27.8701 -13.4966 -63.7045 -13.4966 43.4161 14.2554 -63.7046 14.2554 27.2936 GPRESSAVG: 4013800 -26.7664 -11.3233 -64.4845 -12.5008 43.4127 15.4423 -63.3432 15.1459 25.8922 TIMING: 4013800 CPU: 11665, 0.00290008/step Wall: 11665, 0.00290008/step, 0.79446 hours remaining, 207.617188 MB of memory in use. ENERGY: 4013800 777.1019 2112.6714 1929.5672 114.7038 -206422.1655 17914.3621 0.0000 0.0000 34363.2346 -149210.5244 300.1027 -183573.7591 -149115.4348 298.8739 -27.1695 1.3044 558039.9743 14.2799 14.1795 PRESSURE: 4014000 67.0722 57.5864 74.2668 57.5879 250.463 -4.07082 74.2678 -4.06959 -90.5715 GPRESSURE: 4014000 65.6602 -14.1804 92.0454 26.4014 272.926 -33.3966 62.0061 42.7264 -11.9218 PRESSAVG: 4014000 25.4465 -8.28637 -87.1512 -8.28632 -34.6806 33.7906 -87.1512 33.7905 28.245 GPRESSAVG: 4014000 24.6644 -8.24648 -85.2332 -7.85535 -35.2595 31.5384 -87.433 32.9945 29.3426 TIMING: 4014000 CPU: 11665.6, 0.00290162/step Wall: 11665.6, 0.00290162/step, 0.794721 hours remaining, 207.617188 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: 4014000 763.1638 2086.3634 1936.1970 118.5327 -206352.1217 17884.6914 0.0000 0.0000 34452.9860 -149110.1874 300.8865 -183563.1734 -149015.7456 299.7416 75.6545 108.8881 556202.0121 6.3370 6.2492 PRESSURE: 4014200 44.1667 -64.9461 176.025 -64.9464 119.502 -108.981 176.024 -108.981 -79.1374 GPRESSURE: 4014200 51.9581 -57.9279 143.132 -94.6087 186.781 -28.1376 81.4654 -245.637 -59.8645 PRESSAVG: 4014200 38.2817 32.8086 0.123805 32.8086 45.5312 86.4369 0.123769 86.437 -45.9699 GPRESSAVG: 4014200 38.6654 33.9693 -0.0176508 33.7628 46.483 87.7674 0.861529 85.6228 -46.8819 TIMING: 4014200 CPU: 11666.2, 0.00292241/step Wall: 11666.2, 0.00292241/step, 0.800254 hours remaining, 207.820312 MB of memory in use. ENERGY: 4014200 764.2968 2059.8515 1941.7397 104.9755 -206033.5601 18017.1401 0.0000 0.0000 34124.9722 -149020.5843 298.0219 -183145.5565 -148923.1467 299.4041 28.1770 59.6249 557227.7174 12.6143 12.7555 PRESSURE: 4014400 -31.6368 -56.3766 -91.0129 -56.3749 -97.4413 67.0178 -91.0121 67.0179 41.4437 GPRESSURE: 4014400 62.6389 -74.8731 -128.985 -33.3965 -98.0325 44.9692 -88.178 67.8233 41.7768 PRESSAVG: 4014400 -26.7522 29.927 18.212 29.9271 39.6231 -35.0042 18.212 -35.0043 -15.4978 GPRESSAVG: 4014400 -26.3944 28.5525 19.5244 28.6748 39.552 -36.0278 17.51 -34.129 -16.0095 TIMING: 4014400 CPU: 11666.8, 0.0029063/step Wall: 11666.8, 0.0029063/step, 0.79568 hours remaining, 207.820312 MB of memory in use. ENERGY: 4014400 724.1958 2134.6605 1955.4497 120.5920 -206053.3912 17693.0710 0.0000 0.0000 34216.8660 -149208.5561 298.8244 -183425.4221 -149105.8887 299.4414 -29.2115 2.1277 556393.1510 -0.8757 -0.9506 PRESSURE: 4014600 -279.066 -116.765 58.5761 -116.765 14.5488 82.8768 58.5759 82.8781 -129.158 GPRESSURE: 4014600 -294.505 -136.962 53.8432 -137.051 105.822 5.24144 89.6413 97.1269 -107.285 PRESSAVG: 4014600 2.15098 -55.5882 15.5332 -55.5881 70.9118 13.9012 15.5331 13.9013 -23.9482 GPRESSAVG: 4014600 2.51034 -55.7862 12.9731 -55.8699 69.4434 12.1252 17.658 15.7352 -23.4205 TIMING: 4014600 CPU: 11667.4, 0.00289876/step Wall: 11667.4, 0.00289876/step, 0.793455 hours remaining, 207.820312 MB of memory in use. ENERGY: 4014600 729.3365 2128.5267 1929.9115 114.2659 -206194.9668 17595.9956 0.0000 0.0000 34518.9450 -149177.9856 301.4625 -183696.9306 -149084.2711 299.7141 -131.2252 -98.6561 558033.0506 16.3715 16.1777 PRESSURE: 4014800 59.4918 190.476 -49.1254 190.476 31.3845 -2.53685 -49.1252 -2.53581 3.62328 GPRESSURE: 4014800 70.6565 232.303 -133.546 143.178 71.7106 40.0293 -53.1366 -14.4216 45.5547 PRESSAVG: 4014800 -24.5354 -0.414839 -33.8543 -0.414921 78.5729 -10.2955 -33.8544 -10.2955 -53.6181 GPRESSAVG: 4014800 -25.2361 -2.29055 -32.3946 1.36775 79.0627 -10.0635 -34.3944 -10.1432 -53.1903 TIMING: 4014800 CPU: 11667.9, 0.00289389/step Wall: 11667.9, 0.00289389/step, 0.791962 hours remaining, 207.820312 MB of memory in use. ENERGY: 4014800 762.4464 1979.0123 1964.3238 119.2259 -206135.4495 17879.6530 0.0000 0.0000 34180.3965 -149250.3917 298.5059 -183430.7882 -149154.6780 298.7643 31.4999 62.6406 556300.5937 0.1398 0.2121 PRESSURE: 4015000 -189.855 -120.043 74.2488 -120.042 -84.9118 1.48805 74.2483 1.48809 -213.932 GPRESSURE: 4015000 -183.886 -28.7309 95.7093 -183.699 -43.0541 24.8595 -22.5678 -81.3931 -169.652 PRESSAVG: 4015000 61.9444 -5.76855 10.0723 -5.7686 14.3546 15.8672 10.0723 15.8673 -97.8816 GPRESSAVG: 4015000 62.6292 -3.31239 10.779 -6.56134 15.5481 18.0236 8.49899 13.8965 -100.442 TIMING: 4015000 CPU: 11668.5, 0.00289154/step Wall: 11668.5, 0.00289154/step, 0.791158 hours remaining, 207.820312 MB of memory in use. ENERGY: 4015000 743.5460 2054.2561 1946.9474 110.5139 -206083.0083 17660.8499 0.0000 0.0000 34289.4197 -149277.4754 299.4580 -183566.8950 -149183.3426 299.0439 -162.8995 -132.1973 557617.3342 -7.1942 -7.4217 PRESSURE: 4015200 280.451 -14.0211 -26.3033 -14.0217 -104.758 -14.2849 -26.3027 -14.2845 -176.346 GPRESSURE: 4015200 321.571 9.68993 -27.7937 22.579 -69.0033 39.7563 -28.8894 -43.5095 -159.184 PRESSAVG: 4015200 47.4087 -42.7248 -6.98167 -42.7248 -26.603 13.5132 -6.98167 13.5131 -16.8872 GPRESSAVG: 4015200 47.2496 -43.9135 -6.69396 -43.2629 -26.3154 12.8608 -4.79099 14.1951 -16.4449 TIMING: 4015200 CPU: 11669.1, 0.00289527/step Wall: 11669.1, 0.00289527/step, 0.792018 hours remaining, 207.820312 MB of memory in use. ENERGY: 4015200 744.4937 2077.2160 1914.3391 104.8632 -206404.5331 17889.7017 0.0000 0.0000 34183.3458 -149490.5737 298.5317 -183673.9195 -149395.0915 298.4812 -0.2176 31.1281 556311.6022 1.3062 1.4964 PRESSURE: 4015400 40.3967 117.281 -102.944 117.281 68.0217 22.0308 -102.943 22.032 -266.927 GPRESSURE: 4015400 115.865 68.6447 -88.3659 85.0696 121.787 14.3377 -90.4709 121.26 -297.465 PRESSAVG: 4015400 51.5677 -9.87505 12.1179 -9.87513 29.6889 94.6036 12.1179 94.6036 -113.073 GPRESSAVG: 4015400 50.5055 -9.92585 10.2599 -8.48514 30.3308 94.7258 10.7454 93.4977 -112.061 TIMING: 4015400 CPU: 11669.7, 0.002896/step Wall: 11669.7, 0.002896/step, 0.792056 hours remaining, 207.820312 MB of memory in use. ENERGY: 4015400 713.5479 2094.2384 1943.2153 116.8017 -206132.9973 17634.6202 0.0000 0.0000 34204.6734 -149425.9004 298.7179 -183630.5738 -149329.2676 298.4921 -52.8364 -19.9376 556762.9950 -10.6054 -10.4081 PRESSURE: 4015600 65.9327 -125.253 -47.4351 -125.252 72.0696 15.9867 -47.4335 15.9855 -168.513 GPRESSURE: 4015600 61.3081 -146.142 -50.4775 -81.9173 160.696 109.461 8.48612 -63.0605 -151.856 PRESSAVG: 4015600 45.2632 26.4939 33.9998 26.4938 1.33963 14.737 33.9999 14.7371 -54.8637 GPRESSAVG: 4015600 45.0486 28.199 34.2269 24.6468 0.351768 15.2705 34.1329 13.9869 -54.1927 TIMING: 4015600 CPU: 11670.3, 0.00288917/step Wall: 11670.3, 0.00288917/step, 0.790027 hours remaining, 207.820312 MB of memory in use. ENERGY: 4015600 716.5465 2045.4262 1915.8867 113.6718 -206162.0707 17783.1319 0.0000 0.0000 34162.8497 -149424.5579 298.3527 -183587.4076 -149329.9361 298.4454 -10.1704 23.3828 557526.1109 -2.7536 -2.9307 PRESSURE: 4015800 32.1727 96.5416 58.6483 96.542 86.6668 -116.254 58.6477 -116.255 284.714 GPRESSURE: 4015800 61.3836 37.355 106.889 148.241 105.814 -39.7462 118.578 -78.5815 330.248 PRESSAVG: 4015800 45.0021 33.5056 44.8901 33.5057 -14.5674 -25.6412 44.89 -25.6413 -0.985849 GPRESSAVG: 4015800 45.6812 32.5313 45.4307 35.001 -15.3181 -27.8423 46.7324 -23.9356 -1.00344 TIMING: 4015800 CPU: 11670.8, 0.00291298/step Wall: 11670.8, 0.00291298/step, 0.796375 hours remaining, 207.820312 MB of memory in use. ENERGY: 4015800 769.0940 2041.6846 1953.3221 114.3354 -206532.2720 18001.7990 0.0000 0.0000 34256.4948 -149395.5421 299.1705 -183652.0369 -149301.5727 298.4106 134.5180 165.8152 556632.0280 9.8163 9.7865 PRESSURE: 4016000 89.463 -25.3871 47.58 -25.3873 -272.65 -85.6392 47.5807 -85.6388 15.7287 GPRESSURE: 4016000 74.3546 -14.0604 21.5241 -69.8632 -218.364 -39.7276 142.96 -241.103 72.2011 PRESSAVG: 4016000 -29.9551 -12.6333 25.0861 -12.6333 -34.2519 -1.75714 25.086 -1.75715 43.5226 GPRESSAVG: 4016000 -29.7432 -12.1427 23.4909 -13.5062 -32.9905 -0.310545 24.3728 -2.00847 41.987 TIMING: 4016000 CPU: 11671.4, 0.00291821/step Wall: 11671.4, 0.00291821/step, 0.797643 hours remaining, 207.820312 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: 4016000 757.7091 2064.7088 1937.3490 115.4173 -206380.9469 17827.9650 0.0000 0.0000 34250.0354 -149427.7623 299.1141 -183677.7977 -149328.6853 299.1091 -55.8194 -23.9362 556842.1830 -6.8948 -6.9156 PRESSURE: 4016200 -88.6696 -133.038 -34.9075 -133.038 -31.1908 -119.62 -34.9077 -119.62 -125.745 GPRESSURE: 4016200 27.0299 -152.395 -15.5633 -115.985 -47.652 -127.783 41.4493 -140.877 -127.208 PRESSAVG: 4016200 13.6101 -51.2595 7.03104 -51.2594 -59.1044 -77.5728 7.03106 -77.5729 55.9769 GPRESSAVG: 4016200 13.534 -52.7745 7.74882 -49.3182 -59.3827 -77.874 7.07243 -78.7618 55.7781 TIMING: 4016200 CPU: 11672, 0.00291418/step Wall: 11672, 0.00291418/step, 0.796382 hours remaining, 207.820312 MB of memory in use. ENERGY: 4016200 751.0105 2056.0999 1975.1311 122.1976 -206750.1168 17949.4460 0.0000 0.0000 34266.3340 -149629.8977 299.2564 -183896.2317 -149529.1921 298.7748 -81.8686 -49.2767 556019.9740 3.4942 3.3098 LDB: ============= START OF LOAD BALANCING ============== 11675.5 LDB: ============== END OF LOAD BALANCING =============== 11675.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11675.5 LDB: ============= START OF LOAD BALANCING ============== 11675.8 LDB: Largest compute 4848 load 0.030637 is 26.0% of average load 0.117762 LDB: Average compute 0.001740 is 1.5% of average load 0.117762 LDB: TIME 11675.8 LOAD: AVG 0.117762 MAX 0.180068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 11675.8 LOAD: AVG 0.117762 MAX 0.180068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 11675.8 LOAD: AVG 0.117762 MAX 0.180068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: ============== END OF LOAD BALANCING =============== 11675.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11675.8 PRESSURE: 4016400 -45.8467 -82.3768 -11.889 -82.3777 -207.93 83.5197 -11.8897 83.5203 102.94 GPRESSURE: 4016400 6.05266 -9.33317 -27.2482 -133.88 -183.027 93.6508 17.9143 74.5608 122.574 PRESSAVG: 4016400 -16.051 -3.09153 -4.1943 -3.09145 -37.2169 -36.6087 -4.19434 -36.6087 61.7346 GPRESSAVG: 4016400 -15.1503 -2.01899 -1.92288 -4.33598 -37.909 -36.1324 -4.31125 -35.0436 61.7195 TIMING: 4016400 CPU: 11672.6, 0.00298236/step Wall: 11672.6, 0.00298236/step, 0.814846 hours remaining, 207.671875 MB of memory in use. ENERGY: 4016400 737.3290 2089.2803 1916.1025 116.0636 -206557.2510 17891.7550 0.0000 0.0000 33997.4583 -149809.2623 296.9083 -183806.7205 -149708.9628 298.1178 -50.2791 -18.1337 556977.9842 2.8222 2.8867 PRESSURE: 4016600 -166.972 -222.555 28.4111 -222.555 -230.186 169.463 28.4099 169.465 70.8022 GPRESSURE: 4016600 -172.283 -185.665 -46.2273 -183.778 -152.877 193.4 20.3062 126.779 93.7734 PRESSAVG: 4016600 -69.9073 6.46791 8.62856 6.46797 13.8029 -18.966 8.62859 -18.9661 57.1964 GPRESSAVG: 4016600 -71.1399 6.61816 6.59261 5.24298 14.6896 -19.0768 8.70004 -19.7 57.607 TIMING: 4016600 CPU: 11673.2, 0.00291456/step Wall: 11673.2, 0.00291456/step, 0.796162 hours remaining, 208.058594 MB of memory in use. ENERGY: 4016600 770.6913 2084.5334 1959.6936 114.3286 -206285.8910 17586.8669 0.0000 0.0000 33964.2717 -149805.5055 296.6184 -183769.7771 -149715.8905 297.5462 -108.7854 -77.1289 555410.8279 0.3640 0.3856 PRESSURE: 4016800 -354.916 -64.6144 42.4039 -64.6143 44.7117 -85.2401 42.4045 -85.2383 -225.012 GPRESSURE: 4016800 -298.947 -41.3847 -28.1289 -107.68 61.9655 -90.9425 54.8756 -51.9629 -190.559 PRESSAVG: 4016800 -88.1235 6.28357 -20.8561 6.28363 72.1583 42.0596 -20.856 42.0595 -9.28629 GPRESSAVG: 4016800 -88.1584 4.31669 -19.8326 8.69568 71.8934 43.611 -24.0338 42.9982 -8.77871 TIMING: 4016800 CPU: 11673.8, 0.00291269/step Wall: 11673.8, 0.00291269/step, 0.795487 hours remaining, 208.058594 MB of memory in use. ENERGY: 4016800 750.7083 2082.8258 1974.9531 111.9984 -206337.5867 17682.8612 0.0000 0.0000 33993.0304 -149741.2096 296.8696 -183734.2399 -149649.3358 297.4143 -178.4055 -142.5135 556334.0865 -8.4172 -8.3479 PRESSURE: 4017000 36.5319 76.6583 12.7438 76.6591 -164.447 -56.0376 12.7446 -56.0375 -186.309 GPRESSURE: 4017000 62.4569 100.539 -8.50891 74.2913 -107.715 -63.1483 8.09678 -15.1663 -186.115 PRESSAVG: 4017000 -50.1328 13.2761 30.6844 13.2762 93.2365 -42.6008 30.6844 -42.6008 -28.1084 GPRESSAVG: 4017000 -49.3785 14.3663 29.1695 12.1858 93.577 -43.4287 32.0761 -42.7307 -28.8045 TIMING: 4017000 CPU: 11674.4, 0.00290496/step Wall: 11674.4, 0.00290496/step, 0.793214 hours remaining, 208.058594 MB of memory in use. ENERGY: 4017000 749.5577 2081.8074 1941.5545 124.3355 -206477.7945 17828.7679 0.0000 0.0000 34075.9479 -149675.8235 297.5937 -183751.7714 -149572.3763 297.6596 -104.7412 -77.1246 557978.1486 4.9984 5.1314 PRESSURE: 4017200 -118.548 54.1102 55.189 54.1093 -251.808 -92.5847 55.1893 -92.5849 -171.79 GPRESSURE: 4017200 -53.5026 28.6088 61.6208 -6.59144 -241.114 -84.0104 17.5775 -33.3832 -154.496 PRESSAVG: 4017200 -46.6847 28.6903 19.0465 28.6903 47.5683 -37.0865 19.0466 -37.0864 -4.70004 GPRESSAVG: 4017200 -46.998 26.8892 20.0349 29.9826 47.2925 -35.9719 18.8429 -37.9617 -4.36348 TIMING: 4017200 CPU: 11674.9, 0.00288007/step Wall: 11674.9, 0.00288007/step, 0.78626 hours remaining, 208.058594 MB of memory in use. ENERGY: 4017200 733.1338 2078.9521 1932.3052 105.5380 -206313.4654 17653.0930 0.0000 0.0000 33939.4948 -149870.9484 296.4020 -183810.4433 -149776.8515 297.5051 -180.7152 -149.7042 557707.8702 -1.2722 -1.3563 PRESSURE: 4017400 159.685 12.0024 -142.939 12.0015 188.436 -293.567 -142.939 -293.566 504.505 GPRESSURE: 4017400 226.782 25.0695 -68.3142 -47.357 215.258 -238.317 -160.107 -250.629 516.998 PRESSAVG: 4017400 -27.2081 -38.1401 -23.2117 -38.1402 30.8164 -27.0478 -23.2117 -27.0477 -4.48557 GPRESSAVG: 4017400 -26.6145 -37.9242 -22.6876 -37.945 30.8128 -28.4681 -22.827 -24.9343 -4.96763 TIMING: 4017400 CPU: 11675.5, 0.00288476/step Wall: 11675.5, 0.00288476/step, 0.787379 hours remaining, 208.058594 MB of memory in use. ENERGY: 4017400 715.6803 2081.0824 1956.5480 106.4495 -206931.8790 18191.0891 0.0000 0.0000 34027.3811 -149853.6485 297.1696 -183881.0297 -149755.7233 297.6602 284.2087 319.6797 555119.2858 -0.2924 -0.2564 PRESSURE: 4017600 157.856 -134.902 10.7552 -134.901 -59.4986 -45.8388 10.7563 -45.8406 135.647 GPRESSURE: 4017600 149.094 -209.764 41.7551 -107.344 -2.68418 1.41675 31.831 8.68664 183.973 PRESSAVG: 4017600 -12.2996 -30.0385 21.8881 -30.0385 37.6079 -15.1319 21.8881 -15.1319 6.39293 GPRESSAVG: 4017600 -12.8427 -29.4537 20.3583 -32.9905 37.6883 -14.9127 21.9604 -16.2554 6.56148 TIMING: 4017600 CPU: 11676.1, 0.00287943/step Wall: 11676.1, 0.00287943/step, 0.785766 hours remaining, 208.058594 MB of memory in use. ENERGY: 4017600 700.5547 2074.2370 1972.9686 116.3040 -206611.6237 17934.3083 0.0000 0.0000 33975.3274 -149837.9238 296.7150 -183813.2512 -149737.2931 297.2818 78.0017 110.1279 554278.7258 10.5671 10.4690 PRESSURE: 4017800 -228.085 43.9291 7.33717 43.9299 -122.452 -14.7813 7.3376 -14.7806 -86.0202 GPRESSURE: 4017800 -224.34 54.037 56.1988 1.43167 -96.7565 13.8079 47.2853 -21.3219 -12.6713 PRESSAVG: 4017800 -29.1715 -20.8902 22.2357 -20.8901 83.2432 -53.7376 22.2356 -53.7376 -56.235 GPRESSAVG: 4017800 -28.3074 -18.6578 25.2415 -22.3414 81.5646 -52.6838 20.0675 -53.4866 -55.4129 TIMING: 4017800 CPU: 11676.7, 0.00291267/step Wall: 11676.7, 0.00291267/step, 0.794674 hours remaining, 208.058594 MB of memory in use. ENERGY: 4017800 760.4091 2098.8168 1954.3390 111.8796 -206219.2426 17551.6262 0.0000 0.0000 33889.3524 -149852.8195 295.9641 -183742.1719 -149751.1778 297.5269 -145.5191 -111.2561 554620.9466 -0.7211 -0.7186 PRESSURE: 4018000 -171.537 28.1176 101.947 28.1169 -13.2784 -54.0245 101.948 -54.0248 15.7531 GPRESSURE: 4018000 -150.341 -68.4957 78.3215 118.638 -4.99108 -14.7293 75.1595 -54.4418 98.5526 PRESSAVG: 4018000 -82.2383 -31.3751 46.0343 -31.375 52.8757 5.87733 46.0343 5.87716 -11.0724 GPRESSAVG: 4018000 -82.6955 -33.5885 45.1648 -28.7797 53.7371 3.512 48.4276 6.9495 -11.3152 TIMING: 4018000 CPU: 11677.3, 0.00291967/step Wall: 11677.3, 0.00291967/step, 0.79642 hours remaining, 208.058594 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: 4018000 796.5760 2056.9684 1954.5592 118.4769 -206653.2527 17880.1994 0.0000 0.0000 34203.7523 -149642.7205 298.7099 -183846.4728 -149551.2794 297.4358 -56.3541 -18.9266 555132.7189 -13.4783 -13.4245 PRESSURE: 4018200 -76.0188 -79.2112 60.8963 -79.2123 -381.752 59.9413 60.8949 59.9434 13.2543 GPRESSURE: 4018200 -35.2769 -68.2269 6.1981 -42.0405 -304.792 81.3953 85.4414 114.276 9.63769 PRESSAVG: 4018200 -2.89877 -28.8506 16.3033 -28.8506 14.8211 2.53439 16.3034 2.53432 3.00221 GPRESSAVG: 4018200 -3.17562 -28.6092 15.6528 -28.3595 15.696 3.09147 16.8281 2.65223 2.27753 TIMING: 4018200 CPU: 11677.8, 0.00288303/step Wall: 11677.8, 0.00288303/step, 0.786267 hours remaining, 208.058594 MB of memory in use. ENERGY: 4018200 769.0269 2061.9598 1938.2181 110.1976 -206665.5378 17889.1114 0.0000 0.0000 34135.7248 -149761.2992 298.1158 -183897.0240 -149665.9671 297.8995 -148.1721 -110.1437 555799.6390 4.9749 4.9327 PRESSURE: 4018400 -218.41 171.678 -199.889 171.679 70.6557 -135.807 -199.889 -135.806 96.9527 GPRESSURE: 4018400 -184.922 193.919 -205.839 136.583 89.4503 -116.7 -158.423 -47.7658 147.855 PRESSAVG: 4018400 52.3818 -36.0357 -53.1513 -36.0358 -50.0618 -42.9474 -53.1512 -42.9475 -8.24086 GPRESSAVG: 4018400 51.8982 -36.0254 -52.8918 -37.2071 -49.1647 -42.2754 -54.1667 -43.1528 -8.60578 TIMING: 4018400 CPU: 11678.4, 0.00287369/step Wall: 11678.4, 0.00287369/step, 0.78356 hours remaining, 208.058594 MB of memory in use. ENERGY: 4018400 729.3283 2092.1525 1972.8407 123.3090 -206665.2486 17893.0387 0.0000 0.0000 34154.4194 -149700.1600 298.2790 -183854.5794 -149606.5889 298.1119 -16.9340 17.4610 557246.4102 -1.9736 -1.9574 PRESSURE: 4018600 142.277 -28.802 66.278 -28.8027 147.561 -9.35265 66.278 -9.35268 4.71105 GPRESSURE: 4018600 167.311 -97.6971 154.59 -36.7804 139.979 -2.17365 5.2175 -135.395 81.3196 PRESSAVG: 4018600 7.05481 33.8961 -48.4047 33.8962 -17.5014 15.1034 -48.4046 15.1034 2.59789 GPRESSAVG: 4018600 7.47005 33.4127 -47.3298 35.5097 -17.9789 15.946 -48.6977 13.8509 2.95595 TIMING: 4018600 CPU: 11679, 0.0028755/step Wall: 11679, 0.0028755/step, 0.783894 hours remaining, 208.058594 MB of memory in use. ENERGY: 4018600 707.4075 2009.3996 1937.2605 99.8495 -206593.3486 17931.3542 0.0000 0.0000 34060.7535 -149847.3237 297.4610 -183908.0773 -149744.0872 297.7377 98.1828 129.5367 556671.4785 -2.6162 -2.5176 PRESSURE: 4018800 -174.049 87.393 -234.347 87.3919 86.7105 -120.243 -234.347 -120.245 365.069 GPRESSURE: 4018800 -39.2271 127.165 -93.8602 102.804 91.2596 -188.814 -323.885 -67.909 306.674 PRESSAVG: 4018800 -8.1808 -17.114 -14.5254 -17.114 -54.1522 -16.8475 -14.5254 -16.8476 55.4551 GPRESSAVG: 4018800 -7.5078 -16.1862 -14.6147 -18.8093 -54.2567 -17.3955 -14.8339 -15.9426 54.77 TIMING: 4018800 CPU: 11679.6, 0.00288792/step Wall: 11679.6, 0.00288792/step, 0.787119 hours remaining, 208.058594 MB of memory in use. ENERGY: 4018800 713.8621 2055.6410 1943.3298 114.9545 -206362.1508 17822.7192 0.0000 0.0000 34023.3858 -149688.2583 297.1347 -183711.6441 -149593.4684 297.3121 92.5770 119.5688 557334.9267 -2.2926 -2.3315 PRESSURE: 4019000 -103.355 -10.9157 -176.745 -10.9158 84.4598 70.6998 -176.745 70.7014 172.551 GPRESSURE: 4019000 -48.3456 41.6804 -173.875 -80.9225 153.488 72.3644 -138.073 104.796 157.956 PRESSAVG: 4019000 8.0319 -15.0712 -0.279503 -15.0712 31.9054 5.49242 -0.279494 5.49247 -21.911 GPRESSAVG: 4019000 8.12246 -17.0128 -2.34279 -14.2268 31.4372 5.29103 1.79934 6.28181 -21.6157 TIMING: 4019000 CPU: 11680.1, 0.00289891/step Wall: 11680.1, 0.00289891/step, 0.789953 hours remaining, 208.058594 MB of memory in use. ENERGY: 4019000 741.8566 2059.3668 1956.0991 103.1275 -206527.8798 17920.1517 0.0000 0.0000 34160.8873 -149586.3908 298.3355 -183747.2781 -149486.8255 297.5564 51.2186 87.6994 558293.3762 6.0087 5.9813 PRESSURE: 4019200 -168.341 -30.2244 -83.0599 -30.2245 -70.5989 63.77 -83.0592 63.7695 -168.05 GPRESSURE: 4019200 -138.759 -121.373 -52.1656 50.761 -4.35111 45.6989 -127.758 81.3729 -161.271 PRESSAVG: 4019200 7.61126 -32.9042 -33.6454 -32.904 -15.4233 -30.7353 -33.6454 -30.7353 -5.51035 GPRESSAVG: 4019200 8.43465 -31.3775 -34.452 -31.915 -15.5585 -30.401 -34.9331 -30.7535 -5.61756 TIMING: 4019200 CPU: 11680.7, 0.0028989/step Wall: 11680.7, 0.0028989/step, 0.789789 hours remaining, 208.058594 MB of memory in use. ENERGY: 4019200 746.7472 2134.0354 1954.5746 111.5839 -206106.3825 17614.8330 0.0000 0.0000 34095.0817 -149449.5267 297.7608 -183544.6084 -149351.2680 298.0634 -135.6635 -101.4604 557789.0365 -4.4408 -4.2471 PRESSURE: 4019400 152.352 20.5718 197.349 20.5721 -330.156 -0.138749 197.348 -0.13918 -16.8736 GPRESSURE: 4019400 126.529 45.051 77.4845 28.5753 -238.513 37.8371 266.175 24.8149 7.217 PRESSAVG: 4019400 34.4003 -18.3693 3.70088 -18.3693 -3.71638 31.9805 3.70095 31.9805 -12.7589 GPRESSAVG: 4019400 34.4903 -17.0771 5.22709 -20.6869 -3.22331 32.8665 4.29194 31.0126 -13.9083 TIMING: 4019400 CPU: 11681.3, 0.00288006/step Wall: 11681.3, 0.00288006/step, 0.784497 hours remaining, 208.058594 MB of memory in use. ENERGY: 4019400 763.0875 2118.9557 1972.3482 106.6597 -206156.4022 17635.5898 0.0000 0.0000 34071.1500 -149488.6113 297.5518 -183559.7613 -149382.2604 298.4487 -64.8923 -34.9222 557945.4417 5.9750 5.7862 PRESSURE: 4019600 27.6874 -28.6463 57.5145 -28.6447 11.5163 32.6779 57.514 32.6781 82.6857 GPRESSURE: 4019600 53.569 -17.8521 37.1649 -53.9442 14.8479 -13.1172 121.329 27.2779 150.644 PRESSAVG: 4019600 24.9368 -2.90922 -40.3238 -2.90931 -76.0906 32.5987 -40.3238 32.5987 77.7896 GPRESSAVG: 4019600 24.9222 -5.12781 -39.3114 -1.17555 -77.132 31.6489 -42.3923 32.6503 79.014 TIMING: 4019600 CPU: 11681.9, 0.00288971/step Wall: 11681.9, 0.00288971/step, 0.786964 hours remaining, 208.058594 MB of memory in use. ENERGY: 4019600 744.6873 2098.7331 1952.1565 115.7481 -206670.1439 18029.0062 0.0000 0.0000 34174.2187 -149555.5938 298.4520 -183729.8126 -149451.5008 298.4445 40.6298 73.0203 555756.0334 8.8786 8.9347 PRESSURE: 4019800 182.773 16.644 -185.312 16.6443 -91.0289 1.35396 -185.312 1.35415 -48.3238 GPRESSURE: 4019800 177.994 52.9341 -183.356 91.3623 -57.0012 19.25 -165.145 -83.4808 16.5632 PRESSAVG: 4019800 25.2218 -0.451373 -28.4613 -0.451356 22.3907 6.98696 -28.4614 6.98687 -54.9671 GPRESSAVG: 4019800 24.1316 1.47469 -30.5376 -0.820563 23.6875 7.30342 -26.7923 7.34065 -55.0283 TIMING: 4019800 CPU: 11682.4, 0.00290375/step Wall: 11682.4, 0.00290375/step, 0.790627 hours remaining, 208.058594 MB of memory in use. ENERGY: 4019800 755.0005 2141.8572 1949.4818 109.9623 -206319.5860 17699.0219 0.0000 0.0000 34371.6912 -149292.5710 300.1765 -183664.2623 -149195.1086 298.6770 14.4734 45.8521 554396.9172 -2.4515 -2.4031 PRESSURE: 4020000 -256.845 -69.6659 -124.236 -69.6666 -121.724 -50.0725 -124.235 -50.0722 -139.241 GPRESSURE: 4020000 -256.243 -24.2618 -153.313 -133.267 -47.877 15.2191 -177.188 -96.0922 -115.331 PRESSAVG: 4020000 36.7372 -59.4103 2.06556 -59.4103 -12.4883 22.6842 2.06561 22.6842 14.158 GPRESSAVG: 4020000 36.4573 -58.992 3.02954 -59.7985 -11.7272 23.3881 0.912038 23.2603 13.6772 TIMING: 4020000 CPU: 11683, 0.00290745/step Wall: 11683, 0.00290745/step, 0.791471 hours remaining, 208.058594 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: 4020000 755.0029 2153.5663 1961.3107 103.2566 -205702.9242 17236.7463 0.0000 0.0000 34227.7663 -149265.2750 298.9196 -183493.0413 -149172.6590 299.2097 -172.6032 -139.8168 555733.6851 12.8023 12.8024 PRESSURE: 4020200 230.649 181.999 53.4425 182 245.1 75.8412 53.4424 75.8424 -262.744 GPRESSURE: 4020200 258.07 164.818 168.904 146.45 299.09 -1.97085 9.9412 51.9891 -248.082 PRESSAVG: 4020200 -10.745 -11.6154 30.5701 -11.6153 19.9713 -44.722 30.5701 -44.7221 -45.4419 GPRESSAVG: 4020200 -9.45505 -12.4621 30.8106 -13.1896 19.2884 -43.294 33.2475 -47.0526 -45.8862 TIMING: 4020200 CPU: 11683.6, 0.0029123/step Wall: 11683.6, 0.0029123/step, 0.79263 hours remaining, 208.058594 MB of memory in use. ENERGY: 4020200 730.3486 2079.5851 1964.3727 116.5218 -206370.1640 17907.7505 0.0000 0.0000 34296.4014 -149275.1838 299.5190 -183571.5852 -149181.0549 299.3388 71.0017 103.0260 557297.6451 -12.0719 -12.0176 LDB: ============= START OF LOAD BALANCING ============== 11687.1 LDB: ============== END OF LOAD BALANCING =============== 11687.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11687.1 LDB: ============= START OF LOAD BALANCING ============== 11687.4 LDB: Largest compute 4848 load 0.031156 is 26.4% of average load 0.117801 LDB: Average compute 0.001741 is 1.5% of average load 0.117801 LDB: TIME 11687.4 LOAD: AVG 0.117801 MAX 0.179944 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.996 MB LDB: TIME 11687.4 LOAD: AVG 0.117801 MAX 0.179944 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 11687.4 LOAD: AVG 0.117801 MAX 0.179944 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: ============== END OF LOAD BALANCING =============== 11687.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11687.4 PRESSURE: 4020400 210.794 -34.9105 -51.9459 -34.9115 -7.00209 -30.8261 -51.9461 -30.8266 130.732 GPRESSURE: 4020400 247.084 -32.3054 -1.77222 -35.6336 69.6238 -25.9003 3.70154 -48.6477 115.3 PRESSAVG: 4020400 42.9861 -19.9786 -9.02922 -19.9786 -47.5781 101.529 -9.02933 101.529 5.92719 GPRESSAVG: 4020400 42.1929 -19.3869 -7.81483 -19.3856 -47.3756 103.251 -10.1314 101.908 6.70458 TIMING: 4020400 CPU: 11684.2, 0.0029611/step Wall: 11684.2, 0.0029611/step, 0.805749 hours remaining, 207.011719 MB of memory in use. ENERGY: 4020400 784.0721 2081.0086 1973.0740 113.3316 -206593.2186 18170.5246 0.0000 0.0000 34185.1361 -149286.0716 298.5473 -183471.2077 -149195.8098 298.9522 111.5080 144.0025 556994.6919 0.4451 0.5073 PRESSURE: 4020600 222.146 45.2093 -227.372 45.2097 -63.6148 -25.2752 -227.373 -25.2759 -33.8723 GPRESSURE: 4020600 152.375 -27.2657 -204.275 127.914 27.7597 -41.4871 -204.678 -44.4711 49.3478 PRESSAVG: 4020600 38.6187 1.77708 37.866 1.77723 -19.2093 -27.2079 37.866 -27.208 -18.6287 GPRESSAVG: 4020600 38.9193 2.53639 37.0212 0.716543 -19.0057 -28.747 38.4034 -27.4017 -18.6541 TIMING: 4020600 CPU: 11684.8, 0.00290178/step Wall: 11684.8, 0.00290178/step, 0.789445 hours remaining, 207.058594 MB of memory in use. ENERGY: 4020600 769.8512 2088.5059 1962.9836 115.3510 -206721.4750 18029.6590 0.0000 0.0000 34366.7692 -149388.3550 300.1335 -183755.1242 -149297.9525 299.1020 41.5528 76.4942 556852.7534 0.2602 0.4198 PRESSURE: 4020800 10.5537 7.48925 -68.1384 7.48823 -150.621 -16.3524 -68.1384 -16.3515 -127.478 GPRESSURE: 4020800 -19.9097 27.2924 -59.4581 -47.6429 -9.40884 43.8043 -79.573 -46.903 -138.033 PRESSAVG: 4020800 5.94479 -46.7915 -2.98548 -46.7915 -1.50538 -44.6508 -2.98545 -44.6506 -28.531 GPRESSAVG: 4020800 7.17452 -47.577 -2.64377 -44.7302 -2.07916 -44.4297 -4.13612 -43.8323 -30.0359 TIMING: 4020800 CPU: 11685.4, 0.00291287/step Wall: 11685.4, 0.00291287/step, 0.7923 hours remaining, 207.058594 MB of memory in use. ENERGY: 4020800 754.3594 2117.8684 1974.2639 115.3831 -206429.4973 17792.7310 0.0000 0.0000 34265.3795 -149409.5119 299.2481 -183674.8915 -149317.1040 298.7917 -89.1817 -55.7837 556923.0607 -8.0305 -8.3135 PRESSURE: 4021000 -141.265 -93.2705 38.5169 -93.2722 241.378 68.1264 38.5164 68.1268 81.1067 GPRESSURE: 4021000 -76.876 -97.9331 10.1551 8.42463 242.282 -6.44498 102.198 63.0028 114.393 PRESSAVG: 4021000 -17.1619 -3.15778 16.3951 -3.15769 7.30899 42.7315 16.3951 42.7316 10.6534 GPRESSAVG: 4021000 -17.7237 -3.1505 14.8926 -2.30912 6.83844 40.7298 17.7245 40.6677 11.7339 TIMING: 4021000 CPU: 11685.9, 0.0029015/step Wall: 11685.9, 0.0029015/step, 0.789046 hours remaining, 207.058594 MB of memory in use. ENERGY: 4021000 686.9319 2081.1793 1989.1385 117.5574 -206270.7272 17835.5404 0.0000 0.0000 34236.8164 -149323.5633 298.9986 -183560.3797 -149226.3125 298.7779 60.4065 93.2665 558006.7200 0.2668 0.2829 PRESSURE: 4021200 121.603 24.671 -71.7504 24.6706 136.386 -15.2032 -71.7509 -15.2019 79.7933 GPRESSURE: 4021200 166.597 16.8891 12.3064 81.8725 173.739 -19.3686 -107.371 -56.8212 112.376 PRESSAVG: 4021200 -16.4894 13.8784 -28.9845 13.8784 -24.8826 -59.3386 -28.9845 -59.3385 60.9663 GPRESSAVG: 4021200 -16.2219 12.6439 -28.0442 12.7291 -23.6629 -59.2247 -27.327 -57.0769 59.8535 TIMING: 4021200 CPU: 11686.5, 0.00290435/step Wall: 11686.5, 0.00290435/step, 0.789661 hours remaining, 207.261719 MB of memory in use. ENERGY: 4021200 740.2815 2173.5596 1961.5947 119.6347 -206493.3419 17925.1139 0.0000 0.0000 34101.5885 -149471.5690 297.8177 -183573.1576 -149380.4369 298.0039 112.5939 150.9040 556504.3387 6.5314 6.6562 PRESSURE: 4021400 -20.6956 93.3713 26.3393 93.3697 180.912 99.3567 26.338 99.3564 -84.4122 GPRESSURE: 4021400 43.9404 84.2868 23.7484 38.1559 199.67 79.411 -44.0466 131.496 -79.853 PRESSAVG: 4021400 21.824 30.9978 -26.3424 30.9979 -52.1163 33.772 -26.3424 33.772 55.0911 GPRESSAVG: 4021400 22.571 32.086 -25.1228 29.288 -52.1168 35.6845 -29.8011 33.1794 54.5107 TIMING: 4021400 CPU: 11687.1, 0.00289972/step Wall: 11687.1, 0.00289972/step, 0.78824 hours remaining, 207.261719 MB of memory in use. ENERGY: 4021400 753.5929 2085.2783 1943.5605 115.8698 -206743.3873 18068.6134 0.0000 0.0000 34345.0396 -149431.4329 299.9438 -183776.4725 -149338.5706 298.0744 25.2682 54.5860 556269.8915 8.2663 8.3216 PRESSURE: 4021600 -31.4707 -94.0312 172.198 -94.0305 46.3232 135.244 172.197 135.244 -107.102 GPRESSURE: 4021600 8.76319 -163.781 139.414 -109.873 30.1993 113.267 140.101 71.9782 -53.348 PRESSAVG: 4021600 28.3695 26.4707 -4.97986 26.4707 6.011 27.6434 -4.97988 27.6433 -11.1805 GPRESSAVG: 4021600 26.8722 27.196 -6.65916 26.8361 5.18115 27.8921 -4.99368 27.8726 -8.9687 TIMING: 4021600 CPU: 11687.7, 0.00292529/step Wall: 11687.7, 0.00292529/step, 0.795029 hours remaining, 207.261719 MB of memory in use. ENERGY: 4021600 748.5524 2102.7225 1937.3200 99.5493 -206121.0111 17826.9342 0.0000 0.0000 34014.0153 -149391.9175 297.0529 -183405.9327 -149294.9272 298.8039 -30.7499 -4.7952 558275.9042 7.7333 7.6949 PRESSURE: 4021800 -197.739 -144.684 -86.8607 -144.684 -64.7493 -42.0565 -86.861 -42.0553 165.701 GPRESSURE: 4021800 -164.905 -150.356 -43.2033 -125.924 -78.5048 -5.19354 -125.39 -41.5369 230.811 PRESSAVG: 4021800 -23.5482 -1.61515 7.78317 -1.61517 29.0899 -7.79717 7.78327 -7.79709 -4.98399 GPRESSAVG: 4021800 -22.708 -0.558486 8.35197 -0.863232 29.8206 -7.93795 10.1812 -9.93597 -6.4088 TIMING: 4021800 CPU: 11688.3, 0.00292102/step Wall: 11688.3, 0.00292102/step, 0.793706 hours remaining, 207.261719 MB of memory in use. ENERGY: 4021800 722.3319 2061.6325 1935.2466 114.0849 -206089.7673 17736.5109 0.0000 0.0000 34072.0222 -149447.9383 297.5594 -183519.9605 -149352.3279 298.8564 -32.2625 -4.1995 557136.0035 0.1859 0.2346 PRESSURE: 4022000 -13.8434 40.3612 -62.1513 40.3619 -6.75452 -80.9993 -62.1523 -80.9986 -42.3213 GPRESSURE: 4022000 -21.3358 41.9304 -17.4581 81.6752 9.70557 -9.83317 -148.848 -117.406 32.4609 PRESSAVG: 4022000 -5.53653 -11.1937 -6.45452 -11.1937 -16.9477 25.3065 -6.45448 25.3066 -8.68595 GPRESSAVG: 4022000 -7.24454 -11.7612 -8.44582 -12.1802 -16.6805 24.3762 -7.5569 26.4535 -7.34362 TIMING: 4022000 CPU: 11688.9, 0.00293668/step Wall: 11688.9, 0.00293668/step, 0.797798 hours remaining, 207.261719 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: 4022000 712.7122 2094.4764 1964.8676 115.3057 -205873.0043 17830.6766 0.0000 0.0000 33987.9409 -149167.0249 296.8251 -183154.9658 -149075.0862 298.4351 -20.9731 6.9436 559659.0446 -10.3900 -10.4229 PRESSURE: 4022200 -29.3995 66.2503 95.7962 66.2508 -247.163 -77.5292 95.7956 -77.5287 41.6538 GPRESSURE: 4022200 -38.8944 29.4926 15.3298 1.09215 -199.106 -70.3879 153.598 -4.41905 101.358 PRESSAVG: 4022200 7.44997 -78.3156 -36.8951 -78.3156 -67.7381 10.1368 -36.8953 10.1367 8.7654 GPRESSAVG: 4022200 8.06566 -78.9368 -34.9293 -78.6818 -68.6217 10.3697 -36.1601 11.8346 8.77217 TIMING: 4022200 CPU: 11689.4, 0.00291723/step Wall: 11689.4, 0.00291723/step, 0.792353 hours remaining, 207.261719 MB of memory in use. ENERGY: 4022200 731.3623 2082.0523 1973.2317 112.1996 -205889.2256 17785.9371 0.0000 0.0000 34220.3345 -148984.1081 298.8547 -183204.4426 -148894.0698 298.8971 -78.3029 -45.5476 559390.3182 -17.1742 -17.2613 PRESSURE: 4022400 65.8496 -23.3904 17.5131 -23.3907 53.5746 130.877 17.5145 130.874 20.2645 GPRESSURE: 4022400 124.643 -34.0144 35.3186 -4.77957 164.721 17.0572 -3.89076 160.179 -46.3069 PRESSAVG: 4022400 38.6196 -32.9685 -76.1039 -32.9685 -26.697 55.0777 -76.1038 55.0777 -21.6366 GPRESSAVG: 4022400 40.5892 -34.5425 -75.919 -31.7098 -28.2039 54.8277 -74.6832 52.7603 -22.3774 TIMING: 4022400 CPU: 11690, 0.00291296/step Wall: 11690, 0.00291296/step, 0.791029 hours remaining, 207.261719 MB of memory in use. ENERGY: 4022400 727.2922 2053.0697 1949.8060 112.5641 -206420.1081 18066.9698 0.0000 0.0000 34632.4967 -148877.9096 302.4542 -183510.4063 -148775.1934 300.2481 46.5629 81.0191 558286.8495 -3.2380 -3.3307 PRESSURE: 4022600 -110.292 18.3794 -29.3197 18.3784 -72.4888 -12.0595 -29.32 -12.0591 45.4651 GPRESSURE: 4022600 -67.7245 34.1546 -59.156 12.1809 -46.1342 36.7676 -28.0545 -3.96394 59.0099 PRESSAVG: 4022600 9.53586 3.45606 -67.0775 3.45608 0.778664 7.58667 -67.0775 7.58664 12.0091 GPRESSAVG: 4022600 8.93011 4.47406 -69.4739 4.17497 1.00213 6.42983 -69.4806 9.61883 11.9611 TIMING: 4022600 CPU: 11690.6, 0.00290064/step Wall: 11690.6, 0.00290064/step, 0.787525 hours remaining, 207.464844 MB of memory in use. ENERGY: 4022600 790.6754 2127.1875 1979.2523 111.8325 -206092.0682 17882.3017 0.0000 0.0000 34423.8538 -148776.9650 300.6321 -183200.8189 -148678.3808 299.7666 -45.7720 -18.2829 558001.2441 7.4412 7.2978 PRESSURE: 4022800 225.271 -6.96954 -48.9768 -6.96951 121.48 -167.421 -48.977 -167.42 4.64937 GPRESSURE: 4022800 195.173 -70.5173 -10.4097 -0.857879 205.027 -149.603 -57.0433 -138.908 54.837 PRESSAVG: 4022800 -8.02866 -24.7251 35.3053 -24.725 -18.4193 -2.87254 35.3053 -2.87247 14.5326 GPRESSAVG: 4022800 -7.41965 -25.6039 36.0369 -25.3009 -18.1311 -4.185 35.9617 -2.92919 14.3956 TIMING: 4022800 CPU: 11691.2, 0.0029041/step Wall: 11691.2, 0.0029041/step, 0.788303 hours remaining, 207.464844 MB of memory in use. ENERGY: 4022800 747.2836 2168.4491 1965.8087 129.5542 -206295.2446 18026.2459 0.0000 0.0000 34338.1066 -148919.7966 299.8832 -183257.9032 -148832.3115 300.5377 117.1334 151.6788 557700.3408 -3.9718 -3.7184 PRESSURE: 4023000 -139.711 -2.52258 193.899 -2.52353 -89.4266 28.2091 193.898 28.21 -250.004 GPRESSURE: 4023000 -71.3165 -18.9783 235.349 -23.3652 -89.7888 29.147 45.7864 -40.5689 -209.105 PRESSAVG: 4023000 20.0479 24.5863 4.94138 24.5864 -23.6717 75.7751 4.9413 75.775 2.11869 GPRESSAVG: 4023000 18.8477 26.5695 6.20776 24.8993 -22.0299 77.3835 5.63136 76.9686 2.13062 TIMING: 4023000 CPU: 11691.8, 0.00290554/step Wall: 11691.8, 0.00290554/step, 0.788531 hours remaining, 207.464844 MB of memory in use. ENERGY: 4023000 775.5720 2114.6352 1932.9606 120.2207 -205731.7936 17522.2597 0.0000 0.0000 34379.8918 -148886.2535 300.2481 -183266.1453 -148785.1385 300.5124 -159.7137 -123.4035 557815.2067 -0.5017 -0.3505 PRESSURE: 4023200 46.4581 -39.0612 13.3245 -39.062 -253.43 215.632 13.3253 215.632 -24.1099 GPRESSURE: 4023200 63.3088 12.3463 -65.8612 -89.6374 -214.76 190.212 61.4852 193.064 15.6415 PRESSAVG: 4023200 -12.7715 -45.9867 8.28761 -45.9867 -55.2955 42.6235 8.28767 42.6235 59.6569 GPRESSAVG: 4023200 -12.3508 -47.0685 6.68065 -46.8271 -56.6337 43.195 7.44689 39.884 60.193 TIMING: 4023200 CPU: 11692.4, 0.00290164/step Wall: 11692.4, 0.00290164/step, 0.787312 hours remaining, 207.464844 MB of memory in use. ENERGY: 4023200 741.7291 2089.3927 1944.8874 113.8365 -205858.8439 17588.0904 0.0000 0.0000 34352.8393 -149028.0685 300.0119 -183380.9078 -148926.7327 300.3641 -77.0274 -45.2699 558484.9549 -2.8034 -2.9305 PRESSURE: 4023400 93.2251 -86.2977 43.0338 -86.2979 -133.052 -20.4841 43.035 -20.4833 -67.8002 GPRESSURE: 4023400 93.3674 -112.245 -0.220883 -113.447 -80.9997 -6.96138 19.1546 -22.3298 -11.2989 PRESSAVG: 4023400 9.37255 -41.1002 65.5076 -41.1002 3.40372 59.462 65.5076 59.462 15.8804 GPRESSAVG: 4023400 9.44126 -41.7423 67.348 -39.1956 4.55691 59.8896 65.0114 60.8658 15.0795 TIMING: 4023400 CPU: 11692.9, 0.00289628/step Wall: 11692.9, 0.00289628/step, 0.785695 hours remaining, 207.464844 MB of memory in use. ENERGY: 4023400 736.5309 2075.4736 1928.3857 111.0471 -206265.9069 17825.9352 0.0000 0.0000 34526.1793 -149062.3552 301.5257 -183588.5344 -148966.2348 299.6460 -35.8756 0.3563 557452.7175 9.5522 9.6926 PRESSURE: 4023600 160.552 52.7616 -30.8562 52.7613 -414.704 70.7051 -30.858 70.7047 -326.666 GPRESSURE: 4023600 125.515 88.3682 -62.1921 86.5966 -380.018 101.083 -31.7533 98.5277 -227.646 PRESSAVG: 4023600 -31.3818 -28.6211 32.9875 -28.621 42.8874 21.5629 32.9875 21.5629 -33.1007 GPRESSAVG: 4023600 -31.296 -27.9165 32.4577 -29.3829 41.9443 20.2427 32.0734 20.4411 -32.3256 TIMING: 4023600 CPU: 11693.5, 0.00292062/step Wall: 11693.5, 0.00292062/step, 0.792136 hours remaining, 207.464844 MB of memory in use. ENERGY: 4023600 729.1929 2092.7500 1945.3847 115.2684 -205914.4445 17558.6367 0.0000 0.0000 34294.1065 -149179.1054 299.4990 -183473.2119 -149083.0987 298.9748 -193.6061 -160.7165 557805.7716 -7.1984 -7.2258 PRESSURE: 4023800 -49.9547 -1.49909 -191.519 -1.49995 -47.9022 14.3427 -191.519 14.3431 239.532 GPRESSURE: 4023800 -61.4432 46.0642 -157.182 56.3752 25.9782 69.7939 -146.513 -10.3048 273.48 PRESSAVG: 4023800 -9.45576 -7.44124 -1.25228 -7.44126 20.3639 -14.1297 -1.25235 -14.1297 -4.81408 GPRESSAVG: 4023800 -9.97179 -8.40223 -0.829533 -6.92046 20.9986 -13.8823 0.138995 -14.5708 -4.98548 TIMING: 4023800 CPU: 11694.1, 0.00290956/step Wall: 11694.1, 0.00290956/step, 0.788975 hours remaining, 207.464844 MB of memory in use. ENERGY: 4023800 770.7684 2045.7117 1966.3512 106.2010 -206205.2005 17913.6093 0.0000 0.0000 34110.7833 -149291.7756 297.8980 -183402.5589 -149196.7294 298.9052 47.2251 79.3382 557540.0729 2.0313 2.0138 PRESSURE: 4024000 67.2039 -81.0652 -47.4466 -81.0648 -163.647 -115.994 -47.4459 -115.994 -15.8681 GPRESSURE: 4024000 116.148 -167.761 -34.9619 -85.8298 -160.202 -138.461 -6.72893 -132.909 32.2041 PRESSAVG: 4024000 51.3231 60.1419 3.22443 60.1419 25.6733 -6.92218 3.22449 -6.92217 -6.78059 GPRESSAVG: 4024000 52.4605 61.8757 4.02772 58.6274 24.4161 -7.68281 2.83022 -4.56741 -6.04815 TIMING: 4024000 CPU: 11694.7, 0.00291488/step Wall: 11694.7, 0.00291488/step, 0.790258 hours remaining, 207.464844 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: 4024000 770.6077 2090.2483 1940.4810 103.9079 -206468.1634 17894.0758 0.0000 0.0000 34285.6842 -149383.1585 299.4254 -183668.8427 -149283.1304 298.7446 -37.4371 -3.9502 558139.4496 23.4053 23.6095 PRESSURE: 4024200 -38.7741 -119.946 -70.8975 -119.946 -71.6247 124.316 -70.8985 124.316 -160.457 GPRESSURE: 4024200 12.4544 -170.094 -58.8873 -41.9326 -63.8618 74.0457 -93.7948 181.338 -130.579 PRESSAVG: 4024200 77.4251 -77.9502 38.5586 -77.9502 -60.4491 -0.640048 38.5585 -0.640085 -32.1525 GPRESSAVG: 4024200 77.4311 -77.3858 34.826 -76.4556 -59.7711 1.05763 41.1385 -3.29087 -32.8111 TIMING: 4024200 CPU: 11695.3, 0.00290933/step Wall: 11695.3, 0.00290933/step, 0.78859 hours remaining, 207.464844 MB of memory in use. ENERGY: 4024200 744.8885 2166.0396 1933.0698 110.5933 -205933.4559 17672.0313 0.0000 0.0000 34117.3881 -149189.4453 297.9556 -183306.8334 -149093.5956 298.9349 -90.2852 -60.6622 558655.2424 -5.0588 -5.0504 LDB: ============= START OF LOAD BALANCING ============== 11698.7 LDB: ============== END OF LOAD BALANCING =============== 11698.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11698.7 LDB: ============= START OF LOAD BALANCING ============== 11699 LDB: Largest compute 4848 load 0.029484 is 25.0% of average load 0.117793 LDB: Average compute 0.001737 is 1.5% of average load 0.117793 LDB: TIME 11699 LOAD: AVG 0.117793 MAX 0.182074 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 11699 LOAD: AVG 0.117793 MAX 0.182074 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: TIME 11699 LOAD: AVG 0.117793 MAX 0.182074 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11699 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11699 PRESSURE: 4024400 -110.19 -26.1706 -74.2986 -26.1694 -30.0568 26.861 -74.2978 26.859 -81.564 GPRESSURE: 4024400 -44.0343 12.5474 -37.1034 14.454 -16.4623 55.1996 -43.6017 -50.1955 -72.3975 PRESSAVG: 4024400 6.20438 0.366093 17.7823 0.366153 14.7179 -40.922 17.7824 -40.922 -33.4108 GPRESSAVG: 4024400 6.76342 0.123524 21.5643 -1.03586 14.9991 -41.083 16.9907 -40.1609 -33.8381 TIMING: 4024400 CPU: 11695.9, 0.00296069/step Wall: 11695.9, 0.00296068/step, 0.802345 hours remaining, 210.234375 MB of memory in use. ENERGY: 4024400 740.3639 2123.8229 1935.0804 112.4734 -206257.4818 17709.9694 0.0000 0.0000 34336.0731 -149299.6986 299.8655 -183635.7717 -149202.1301 298.5198 -73.9370 -44.2980 557626.0529 -4.1628 -4.0252 PRESSURE: 4024600 116.379 -110.967 -241.058 -110.966 -72.7418 41.3238 -241.057 41.3238 -23.2058 GPRESSURE: 4024600 148.111 -132.015 -332.781 -105.077 -38.6122 20.4086 -211.833 109.506 2.70791 PRESSAVG: 4024600 4.43579 -32.349 -6.14924 -32.349 -9.25699 8.09965 -6.14927 8.09959 -17.526 GPRESSAVG: 4024600 2.36382 -30.6475 -6.61375 -32.5376 -8.54314 7.64158 -8.55964 8.50655 -16.7248 TIMING: 4024600 CPU: 11696.4, 0.00292575/step Wall: 11696.4, 0.00292575/step, 0.792716 hours remaining, 210.253906 MB of memory in use. ENERGY: 4024600 691.3459 2120.8422 1963.9620 106.3580 -206306.6999 17840.6609 0.0000 0.0000 34254.0106 -149329.5203 299.1488 -183583.5309 -149230.4860 299.1698 6.8103 37.4023 558601.9284 -7.4491 -7.6347 PRESSURE: 4024800 24.7222 10.7531 -23.0115 10.7525 118.557 69.5348 -23.0118 69.5345 -65.4887 GPRESSURE: 4024800 30.0831 41.7793 126.803 -31.7554 134.348 12.6602 -81.993 161.848 6.46947 PRESSAVG: 4024800 6.96368 0.536633 25.5885 0.536561 19.831 15.495 25.5886 15.4951 -15.3047 GPRESSAVG: 4024800 8.02639 -3.27165 25.9617 2.11495 19.1657 17.6359 26.1782 15.607 -15.9413 TIMING: 4024800 CPU: 11697, 0.00289682/step Wall: 11697, 0.00289682/step, 0.784716 hours remaining, 210.253906 MB of memory in use. ENERGY: 4024800 697.4911 2075.6835 1968.9911 108.4595 -206371.3083 17820.7239 0.0000 0.0000 34214.1437 -149485.8155 298.8006 -183699.9591 -149389.2403 298.4387 25.9302 56.9670 557974.4935 3.8300 3.7503 PRESSURE: 4025000 -291.84 -18.8144 96.9587 -18.8139 -116.598 -170.763 96.9597 -170.764 -209.621 GPRESSURE: 4025000 -245.531 -15.1344 2.63195 -30.2516 -68.6209 -141.07 175.235 -79.7397 -206.58 PRESSAVG: 4025000 10.0147 -10.9857 22.6829 -10.9858 -6.41158 -25.7509 22.6828 -25.751 -12.1981 GPRESSAVG: 4025000 9.85559 -9.37423 23.2603 -12.0106 -6.20712 -26.8884 23.0903 -23.7627 -12.6215 TIMING: 4025000 CPU: 11697.6, 0.00289941/step Wall: 11697.6, 0.00289941/step, 0.785257 hours remaining, 210.253906 MB of memory in use. ENERGY: 4025000 742.0411 2100.1581 1936.0211 112.0803 -206055.3332 17681.9552 0.0000 0.0000 34043.5873 -149439.4901 297.3111 -183483.0774 -149341.2689 298.6000 -206.0198 -173.5775 558841.9899 -2.8650 -2.9910 PRESSURE: 4025200 -105.894 177.751 54.2453 177.752 -15.7852 -5.22824 54.2438 -5.22922 -111.57 GPRESSURE: 4025200 -35.6986 131.031 42.0004 210.673 -4.89752 -19.2361 122.061 -18.2872 -95.9045 PRESSAVG: 4025200 -11.1578 53.4436 85.4139 53.4437 60.2499 -16.5989 85.414 -16.599 -31.0355 GPRESSAVG: 4025200 -10.699 53.8088 83.6909 53.4463 59.3025 -15.2593 85.8789 -19.4706 -30.4201 TIMING: 4025200 CPU: 11698.2, 0.00291387/step Wall: 11698.2, 0.00291387/step, 0.789011 hours remaining, 210.253906 MB of memory in use. ENERGY: 4025200 735.9295 2089.4119 1967.4600 106.0803 -206010.0012 17691.4066 0.0000 0.0000 34007.9082 -149411.8048 296.9995 -183419.7130 -149320.3928 297.6341 -77.7496 -45.5002 557375.4810 6.0189 6.0611 PRESSURE: 4025400 24.1116 -89.5002 30.4549 -89.5008 97.2413 -104.838 30.4555 -104.838 -133.025 GPRESSURE: 4025400 65.516 -129.065 -30.2867 -74.7608 117.079 -57.1375 46.9096 -120.885 -103.811 PRESSAVG: 4025400 31.2083 44.7258 26.1555 44.7258 -62.7116 10.7149 26.1554 10.7149 1.56268 GPRESSAVG: 4025400 29.471 43.9534 28.1101 45.0208 -61.7855 10.0545 24.128 10.4968 2.03164 TIMING: 4025400 CPU: 11698.8, 0.00291126/step Wall: 11698.8, 0.00291126/step, 0.788142 hours remaining, 210.253906 MB of memory in use. ENERGY: 4025400 782.4797 2067.1958 1949.2960 114.5957 -206215.8583 17956.9831 0.0000 0.0000 33968.7616 -149376.5464 296.6576 -183345.3080 -149272.5174 298.0925 -3.8908 26.2612 556791.6367 -9.9802 -10.0943 PRESSURE: 4025600 94.1963 -179.582 149.015 -179.58 30.6093 127.237 149.015 127.237 289.91 GPRESSURE: 4025600 106.358 -163.793 257.957 -160.647 39.647 207.156 106.489 103.896 355.647 PRESSAVG: 4025600 58.7854 -19.843 -16.21 -19.8431 27.9651 2.72896 -16.21 2.72884 -38.6614 GPRESSAVG: 4025600 59.9745 -20.9689 -15.5556 -18.0211 27.5926 3.68721 -15.562 3.14037 -39.2349 TIMING: 4025600 CPU: 11699.3, 0.00289909/step Wall: 11699.3, 0.00289909/step, 0.784686 hours remaining, 210.253906 MB of memory in use. ENERGY: 4025600 731.8867 2141.2900 1960.2685 111.7185 -206324.8228 17818.2176 0.0000 0.0000 34044.2667 -149517.1749 297.3170 -183561.4416 -149420.9703 298.6554 138.2385 167.2175 555705.6615 16.0297 16.1107 PRESSURE: 4025800 51.5629 185.215 95.4923 185.214 -61.6206 33.1262 95.4931 33.1267 36.4274 GPRESSURE: 4025800 72.6631 103.028 142.68 257.235 -33.9459 -71.2632 58.0557 56.1836 89.9181 PRESSAVG: 4025800 48.7779 -21.8708 -9.52494 -21.8708 24.5496 31.1557 -9.52491 31.1557 -10.8826 GPRESSAVG: 4025800 48.6224 -21.6486 -8.6922 -21.726 23.8977 28.8233 -9.48546 31.8388 -10.0061 TIMING: 4025800 CPU: 11699.9, 0.00292087/step Wall: 11699.9, 0.00292087/step, 0.790421 hours remaining, 210.253906 MB of memory in use. ENERGY: 4025800 746.7231 2106.7599 1955.7422 102.7386 -206184.7139 17713.1003 0.0000 0.0000 34219.7607 -149339.8890 298.8497 -183559.6498 -149249.2598 298.0941 8.7899 42.8785 557339.5528 20.8150 20.8380 PRESSURE: 4026000 -213.477 -74.8837 87.0385 -74.8832 107.411 -81.6926 87.038 -81.6921 -348.412 GPRESSURE: 4026000 -160.636 -90.6579 30.743 -59.522 146.56 -83.2957 131.185 -99.2181 -344.899 PRESSAVG: 4026000 42.3759 21.7229 22.8595 21.7228 -36.0692 -14.7455 22.8595 -14.7455 5.31605 GPRESSAVG: 4026000 42.6163 22.5623 21.4909 20.6619 -35.9267 -12.8248 23.9806 -15.2884 4.912 TIMING: 4026000 CPU: 11700.5, 0.00291744/step Wall: 11700.5, 0.00291744/step, 0.789329 hours remaining, 210.253906 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: 4026000 737.9599 2148.7490 1949.0731 114.2979 -206232.5550 17713.0175 0.0000 0.0000 34249.6404 -149319.8171 299.1106 -183569.4575 -149230.9902 298.4445 -151.4928 -119.6583 558977.4493 3.8742 3.8672 PRESSURE: 4026200 -142.591 -186.85 85.91 -186.849 -134.487 68.3029 85.9103 68.3027 -112.466 GPRESSURE: 4026200 -165.204 -144.091 148.816 -96.6287 -77.5066 123.729 -16.5397 -6.47431 -42.0551 PRESSAVG: 4026200 -15.5036 2.30749 103.257 2.30746 -25.13 -21.7655 103.257 -21.7655 -37.716 GPRESSAVG: 4026200 -15.7414 3.8605 101.612 2.48844 -24.2008 -23.8463 103.687 -20.7698 -38.6206 TIMING: 4026200 CPU: 11701.1, 0.00289818/step Wall: 11701.1, 0.00289818/step, 0.783958 hours remaining, 210.253906 MB of memory in use. ENERGY: 4026200 755.7651 2110.5435 1953.7471 109.5561 -206266.0710 17684.4719 0.0000 0.0000 34629.3282 -149022.6592 302.4265 -183651.9874 -148930.0532 299.8987 -129.8476 -94.9218 558139.8921 -26.1165 -26.1876 PRESSURE: 4026400 54.3566 114.447 -50.1814 114.448 192.638 -67.9665 -50.1818 -67.9664 75.9715 GPRESSURE: 4026400 77.0333 94.9173 10.4665 76.0313 218.742 -169.022 -9.57145 20.4528 123.283 PRESSAVG: 4026400 50.5027 -11.3894 34.642 -11.3894 -14.3017 -19.0598 34.642 -19.0599 -32.0455 GPRESSAVG: 4026400 50.2088 -11.8605 36.4141 -12.6382 -14.6768 -19.7687 34.9333 -18.0206 -30.7897 TIMING: 4026400 CPU: 11701.7, 0.00288232/step Wall: 11701.7, 0.00288232/step, 0.779508 hours remaining, 210.253906 MB of memory in use. ENERGY: 4026400 724.8964 2098.0247 1936.7816 110.9454 -206381.0225 17940.8733 0.0000 0.0000 34436.6814 -149132.8196 300.7441 -183569.5010 -149037.6111 299.3842 107.6555 139.6860 556080.9566 1.3852 1.5808 PRESSURE: 4026600 -221.688 54.6176 -227.682 54.6173 220.309 -202.56 -227.682 -202.561 -213.993 GPRESSURE: 4026600 -148.41 74.8826 -209.974 1.81668 245.81 -145.534 -108.049 -213.226 -205.549 PRESSAVG: 4026600 2.42004 -1.95476 23.2097 -1.95478 -10.3542 24.3443 23.2097 24.3443 13.1997 GPRESSAVG: 4026600 3.03026 -3.17261 22.9515 -1.02062 -11.2096 24.9046 23.4915 24.0603 12.9608 TIMING: 4026600 CPU: 11702.2, 0.00289552/step Wall: 11702.2, 0.00289552/step, 0.782917 hours remaining, 210.253906 MB of memory in use. ENERGY: 4026600 778.6811 2094.1854 1976.1561 105.8693 -205923.4205 17626.4836 0.0000 0.0000 34349.3819 -148992.6630 299.9817 -183342.0449 -148903.0511 300.0689 -71.7906 -36.0500 557006.8198 1.7552 1.5938 PRESSURE: 4026800 -25.0964 41.568 31.2292 41.5683 -89.3166 103.817 31.2285 103.817 -91.2214 GPRESSURE: 4026800 -10.6131 42.5461 134.344 121.316 -34.153 78.8751 -81.1741 172.508 -66.8343 PRESSAVG: 4026800 50.1316 10.0541 35.1855 10.0541 -28.3633 10.2953 35.1856 10.2953 -26.6591 GPRESSAVG: 4026800 49.5793 11.3257 34.9707 7.97988 -28.5349 12.0424 35.2746 7.46563 -25.8247 TIMING: 4026800 CPU: 11702.8, 0.00291635/step Wall: 11702.8, 0.00291635/step, 0.788386 hours remaining, 210.253906 MB of memory in use. ENERGY: 4026800 738.8589 2135.2569 1928.2710 109.1913 -205630.0917 17664.5717 0.0000 0.0000 34136.3060 -148917.6359 298.1209 -183053.9419 -148818.9760 299.4262 -68.5448 -37.2001 557815.9480 -1.6303 -1.5935 PRESSURE: 4027000 -71.8108 -8.86339 44.7367 -8.86317 46.7501 -94.0951 44.7364 -94.0942 -180.218 GPRESSURE: 4027000 12.8415 74.1292 64.6034 -32.3825 -8.36947 -46.8968 31.2014 -130.449 -126.024 PRESSAVG: 4027000 60.6189 -28.399 -26.9759 -28.3989 -73.0215 8.4038 -26.9759 8.40377 13.4899 GPRESSAVG: 4027000 61.6808 -29.6379 -25.5025 -25.7777 -72.5332 5.46696 -27.7176 10.7572 11.6507 TIMING: 4027000 CPU: 11703.4, 0.00290973/step Wall: 11703.4, 0.00290973/step, 0.786435 hours remaining, 210.253906 MB of memory in use. ENERGY: 4027000 745.5861 2126.3315 1974.2501 113.5558 -205717.7444 17386.6495 0.0000 0.0000 34271.0418 -149100.3297 299.2975 -183371.3715 -149005.4870 299.6996 -68.4262 -40.5173 557113.6935 0.3624 0.2661 PRESSURE: 4027200 56.7466 16.7282 62.9067 16.7283 15.772 -11.3427 62.907 -11.3418 117.848 GPRESSURE: 4027200 70.924 -19.0342 58.5799 -77.6169 70.0799 30.2395 -1.71489 -41.8456 163.695 PRESSAVG: 4027200 22.2262 -27.655 0.915752 -27.655 41.5986 -36.0679 0.915882 -36.0678 4.75557 GPRESSAVG: 4027200 21.6697 -26.7049 -1.64869 -29.0814 40.8945 -33.5918 -0.358976 -39.2517 5.47451 TIMING: 4027200 CPU: 11704, 0.00290449/step Wall: 11704, 0.00290449/step, 0.784859 hours remaining, 210.253906 MB of memory in use. ENERGY: 4027200 747.6307 2113.0988 1939.6226 106.0125 -205794.7972 17640.5561 0.0000 0.0000 34235.0787 -149012.7978 298.9835 -183247.8765 -148906.2222 299.8904 63.4555 101.5662 556352.6629 22.8601 22.6796 PRESSURE: 4027400 189.182 32.7674 -144.751 32.7658 94.4222 -42.0171 -144.751 -42.0176 -107.183 GPRESSURE: 4027400 260.308 63.5847 -175.423 2.00665 121.711 -105.89 -84.8483 -28.4393 -101.101 PRESSAVG: 4027400 -19.9221 7.53564 -8.8365 7.53569 32.1008 8.28096 -8.83642 8.28094 14.2034 GPRESSAVG: 4027400 -21.7006 7.02813 -7.79429 7.68701 33.9794 7.58132 -9.80785 10.8618 14.0151 TIMING: 4027400 CPU: 11704.6, 0.00293258/step Wall: 11704.6, 0.00293258/step, 0.792284 hours remaining, 210.253906 MB of memory in use. ENERGY: 4027400 768.8942 2061.8327 1965.7863 114.1684 -206283.2363 18033.9438 0.0000 0.0000 34421.6460 -148916.9650 300.6128 -183338.6110 -148820.4075 300.2493 58.8069 93.6394 559166.6938 8.7940 8.7646 PRESSURE: 4027600 -71.9431 -45.6299 91.6649 -45.6296 -27.1496 -20.0799 91.6652 -20.0816 -378.814 GPRESSURE: 4027600 -67.393 -88.1199 21.224 -49.1993 -49.5075 4.66247 105.192 -26.8141 -267.455 PRESSAVG: 4027600 -43.6726 0.129454 45.8244 0.129445 24.6898 10.736 45.8244 10.7359 30.723 GPRESSAVG: 4027600 -42.3356 -1.30972 43.96 0.932323 22.646 10.7475 47.3463 10.0134 30.7427 TIMING: 4027600 CPU: 11705.2, 0.00291149/step Wall: 11705.2, 0.00291149/step, 0.786427 hours remaining, 210.253906 MB of memory in use. ENERGY: 4027600 747.8457 2110.2265 1927.9546 111.8287 -205588.7079 17465.6311 0.0000 0.0000 34303.7941 -148921.4273 299.5836 -183225.2214 -148824.9003 299.2592 -159.3022 -128.1187 559698.9414 3.9134 3.6844 PRESSURE: 4027800 112.991 -40.5364 -34.3619 -40.5365 -145.187 118.796 -34.3623 118.798 -126.76 GPRESSURE: 4027800 179.764 -40.412 -89.1446 -32.6213 -125.836 53.1004 -97.7904 92.3701 -112.459 PRESSAVG: 4027800 -63.1869 12.2302 -24.4739 12.2301 98.6656 8.35069 -24.4738 8.35064 -40.6374 GPRESSAVG: 4027800 -63.7573 10.3284 -22.9709 14.2629 98.7619 11.119 -24.3249 7.53812 -39.8989 TIMING: 4027800 CPU: 11705.7, 0.00291264/step Wall: 11705.7, 0.00291264/step, 0.786574 hours remaining, 210.253906 MB of memory in use. ENERGY: 4027800 740.6243 2066.9197 1949.7207 98.7039 -206080.6077 17808.4067 0.0000 0.0000 34411.3587 -149004.8736 300.5230 -183416.2323 -148902.6480 300.1820 -52.9852 -19.5106 558301.2700 -1.7196 -1.6314 PRESSURE: 4028000 53.4883 -145.632 -185.518 -145.632 131.513 18.5101 -185.519 18.5101 -152.219 GPRESSURE: 4028000 107.491 -142.139 -241.279 -153.826 150.952 16.2091 -178.708 -37.1119 -120.592 PRESSAVG: 4028000 31.6664 12.509 -8.33048 12.5091 35.8868 -2.77887 -8.33049 -2.77877 -24.3329 GPRESSAVG: 4028000 31.1857 14.4983 -9.43722 10.5623 36.7273 -3.71859 -7.59603 -2.48216 -25.0407 TIMING: 4028000 CPU: 11706.3, 0.00290793/step Wall: 11706.3, 0.00290793/step, 0.785142 hours remaining, 210.253906 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: 4028000 783.9062 2094.4583 1941.0245 113.4167 -206363.7405 18013.5696 0.0000 0.0000 34350.0162 -149067.3490 299.9872 -183417.3652 -148968.4105 300.0529 10.9274 45.9505 558348.7875 14.4068 14.2908 PRESSURE: 4028200 -30.8622 -77.548 206.616 -77.5479 -268.719 88.215 206.616 88.2158 -386.6 GPRESSURE: 4028200 -28.9925 48.6852 231.528 -114.264 -170.053 19.5535 241.366 71.5446 -398.701 PRESSAVG: 4028200 33.3 -45.7091 30.2343 -45.709 -37.6283 13.3151 30.2343 13.3152 -56.5222 GPRESSAVG: 4028200 33.3745 -44.5493 31.1258 -46.7752 -38.3736 11.2065 30.4793 13.3755 -55.9366 TIMING: 4028200 CPU: 11706.9, 0.00290039/step Wall: 11706.9, 0.00290039/step, 0.782945 hours remaining, 210.253906 MB of memory in use. ENERGY: 4028200 746.2173 2082.7149 1995.1111 106.2027 -205573.9454 17539.0745 0.0000 0.0000 33998.8399 -149105.7850 296.9203 -183104.6249 -149004.1124 299.6484 -228.7270 -199.2488 558457.4641 -20.2835 -20.3119 LDB: ============= START OF LOAD BALANCING ============== 11710.4 LDB: ============== END OF LOAD BALANCING =============== 11710.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11710.4 LDB: ============= START OF LOAD BALANCING ============== 11710.7 LDB: Largest compute 4848 load 0.031415 is 26.7% of average load 0.117800 LDB: Average compute 0.001738 is 1.5% of average load 0.117800 LDB: TIME 11710.7 LOAD: AVG 0.1178 MAX 0.183014 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.59 MB LDB: TIME 11710.7 LOAD: AVG 0.1178 MAX 0.183014 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: TIME 11710.7 LOAD: AVG 0.1178 MAX 0.183014 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.793 MB LDB: ============== END OF LOAD BALANCING =============== 11710.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11710.7 PRESSURE: 4028400 28.4935 -32.0806 -29.3922 -32.0821 154.603 -82.0767 -29.3923 -82.0773 -147.243 GPRESSURE: 4028400 41.4366 53.6 -29.543 -14.4317 170.374 -20.8198 1.99836 -101.029 -82.5653 PRESSAVG: 4028400 45.7847 -56.4841 60.6841 -56.4841 53.4578 -20.4164 60.6842 -20.4164 -46.4608 GPRESSAVG: 4028400 45.1375 -57.6889 61.6818 -55.6484 54.2603 -17.0766 60.0111 -20.7862 -46.8613 TIMING: 4028400 CPU: 11707.5, 0.00296222/step Wall: 11707.5, 0.00296222/step, 0.799471 hours remaining, 209.316406 MB of memory in use. ENERGY: 4028400 761.8963 2112.1737 1949.4068 116.9896 -206194.4455 17739.3754 0.0000 0.0000 34293.1608 -149221.4429 299.4907 -183514.6036 -149127.9793 299.2662 11.9513 43.0818 555680.2491 17.5939 17.5122 PRESSURE: 4028600 -127.147 -92.0637 -47.9756 -92.064 -72.2042 90.4855 -47.9758 90.4877 110.799 GPRESSURE: 4028600 -121.87 -44.0927 -89.1003 -89.8327 -34.6795 119.797 -12.8655 101.89 165.903 PRESSAVG: 4028600 -2.85659 12.1376 -21.6773 12.1376 0.794515 -20.729 -21.6774 -20.7291 -0.871461 GPRESSAVG: 4028600 -1.85141 12.727 -22.3451 12.0913 -0.10341 -24.5706 -20.0882 -18.4942 -0.595451 TIMING: 4028600 CPU: 11708.1, 0.00290414/step Wall: 11708.1, 0.00290414/step, 0.783633 hours remaining, 209.519531 MB of memory in use. ENERGY: 4028600 762.2227 2094.4970 1939.7945 102.5284 -206038.6221 17762.6297 0.0000 0.0000 34208.5440 -149168.4057 298.7517 -183376.9497 -149080.6019 299.2107 -29.5172 3.1176 555969.4051 -0.9778 -0.8501 PRESSURE: 4028800 -43.1269 -21.2303 21.8883 -21.2294 -122.207 73.5317 21.8888 73.5326 -21.1813 GPRESSURE: 4028800 -3.73321 -60.8417 63.8694 18.6051 12.2743 178.536 -0.631054 9.33584 -96.1167 PRESSAVG: 4028800 -19.253 -3.23923 -22.775 -3.23932 7.20857 5.68259 -22.775 5.68255 -6.62257 GPRESSAVG: 4028800 -19.2865 -2.44628 -20.3256 -5.53391 7.4186 8.13575 -24.921 3.39529 -6.4718 TIMING: 4028800 CPU: 11708.7, 0.00291939/step Wall: 11708.7, 0.00291939/step, 0.787586 hours remaining, 209.519531 MB of memory in use. ENERGY: 4028800 770.4323 2074.2798 1974.5793 104.0207 -205948.3406 17741.9783 0.0000 0.0000 34006.1996 -149276.8505 296.9846 -183283.0501 -149182.5798 299.5771 -62.1718 -29.1919 557847.1327 -6.2223 -6.1132 PRESSURE: 4029000 -84.2994 2.84902 -47.145 2.84976 -130.591 -155.365 -47.1446 -155.365 133.223 GPRESSURE: 4029000 -33.6696 -54.2846 -151.765 61.3006 -150.468 -149.897 -38.6611 -184.994 189.312 PRESSAVG: 4029000 0.0649329 -41.5426 -37.8732 -41.5427 -6.91719 -4.7761 -37.8732 -4.77604 6.21199 GPRESSAVG: 4029000 0.485072 -43.7681 -41.5146 -39.6737 -7.07326 -4.68306 -36.5614 -4.89709 6.15748 TIMING: 4029000 CPU: 11709.2, 0.00290181/step Wall: 11709.2, 0.00290181/step, 0.782682 hours remaining, 209.519531 MB of memory in use. ENERGY: 4029000 733.8227 2112.0897 1964.5467 113.7767 -206408.0099 17808.5308 0.0000 0.0000 34345.7827 -149329.4606 299.9503 -183675.2433 -149233.2027 298.9461 -27.2227 1.7247 555671.1706 -0.2134 -0.1436 PRESSURE: 4029200 -233.101 74.0892 -104.933 74.089 -327.627 -49.1214 -104.932 -49.1211 241.381 GPRESSURE: 4029200 -198.733 27.0589 -157.598 186.699 -297.389 -43.5351 -120.328 -64.8204 278.307 PRESSAVG: 4029200 -13.7839 -47.1149 -88.6588 -47.1149 -11.6244 10.5728 -88.6587 10.5728 -0.180773 GPRESSAVG: 4029200 -15.6266 -45.6892 -88.7 -47.1116 -10.7887 9.64654 -89.0733 12.2753 0.623696 TIMING: 4029200 CPU: 11709.8, 0.00292148/step Wall: 11709.8, 0.00292148/step, 0.787827 hours remaining, 209.519531 MB of memory in use. ENERGY: 4029200 742.5958 2050.0247 1936.5943 107.8297 -206194.3411 17604.7714 0.0000 0.0000 34363.0487 -149389.4765 300.1011 -183752.5252 -149287.4231 298.8110 -106.4491 -72.6051 556010.3524 -8.5297 -8.5972 PRESSURE: 4029400 -44.1868 -7.80463 -184.752 -7.80551 -216.381 -140.441 -184.752 -140.441 -313.585 GPRESSURE: 4029400 -5.30875 -57.1127 -219.604 -11.7341 -155.799 -96.9034 -76.5695 -80.7311 -315.161 PRESSAVG: 4029400 13.1728 2.79925 -39.8826 2.79921 4.26742 -19.083 -39.8826 -19.0829 -38.7659 GPRESSAVG: 4029400 13.634 3.21228 -36.111 3.91615 4.21992 -16.6301 -42.7949 -22.9487 -38.8514 TIMING: 4029400 CPU: 11710.4, 0.00289528/step Wall: 11710.4, 0.00289528/step, 0.7806 hours remaining, 209.519531 MB of memory in use. ENERGY: 4029400 729.4069 2091.9649 1930.6589 102.0162 -206116.2851 17585.1290 0.0000 0.0000 34116.6578 -149560.4514 297.9493 -183677.1092 -149465.5027 298.3130 -191.3842 -158.7561 556082.6922 -7.1086 -6.9991 PRESSURE: 4029600 134.288 111.866 -125.124 111.865 -23.0166 106.677 -125.123 106.677 -133.827 GPRESSURE: 4029600 130.318 171.088 -21.9614 131.007 -6.81851 66.154 -214.077 66.4584 -56.2992 PRESSAVG: 4029600 13.3281 -12.4538 -20.5852 -12.4539 -16.1415 33.4767 -20.5852 33.4767 -20.423 GPRESSAVG: 4029600 14.4613 -12.7951 -24.2339 -12.534 -15.981 33.3341 -17.8684 35.2432 -21.6972 TIMING: 4029600 CPU: 11711, 0.00289329/step Wall: 11711, 0.00289329/step, 0.779904 hours remaining, 209.519531 MB of memory in use. ENERGY: 4029600 721.4518 2066.1477 1965.8927 107.9061 -206254.4209 17708.0803 0.0000 0.0000 34140.2338 -149544.7085 298.1552 -183684.9423 -149444.2303 298.3018 -7.5187 22.4003 555522.0150 -7.7455 -7.7390 PRESSURE: 4029800 -4.50582 -108.042 -15.7853 -108.043 -126.587 -16.7972 -15.7869 -16.7968 -229.087 GPRESSURE: 4029800 -30.6765 -64.5103 -2.0628 -56.5435 -89.7335 -87.3709 18.8818 -40.5577 -126.731 PRESSAVG: 4029800 33.9865 21.8043 16.1539 21.8042 24.4874 25.3117 16.1537 25.3118 -80.5425 GPRESSAVG: 4029800 33.644 21.0803 18.2067 19.1099 23.4878 25.0445 17.7816 25.3734 -78.4667 TIMING: 4029800 CPU: 11711.6, 0.00290248/step Wall: 11711.6, 0.00290248/step, 0.782217 hours remaining, 209.519531 MB of memory in use. ENERGY: 4029800 781.1485 2112.5755 1931.2135 116.4943 -205988.6357 17561.9061 0.0000 0.0000 34110.6961 -149374.6016 297.8972 -183485.2977 -149273.5572 298.1539 -120.0601 -82.3803 557526.2084 -7.3562 -7.1116 PRESSURE: 4030000 45.3799 -22.0131 21.8479 -22.0144 -31.3607 257.851 21.8479 257.85 133.514 GPRESSURE: 4030000 105.509 -7.53546 33.5577 23.4765 60.5845 117.044 73.4979 407.991 76.7261 PRESSAVG: 4030000 -10.0538 -55.9921 -28.3449 -55.9921 22.609 33.4839 -28.345 33.4839 -11.3242 GPRESSAVG: 4030000 -9.25259 -53.9441 -29.3672 -53.8387 22.9254 29.656 -29.3831 34.5153 -12.226 TIMING: 4030000 CPU: 11712.1, 0.00288734/step Wall: 11712.1, 0.00288734/step, 0.777978 hours remaining, 209.519531 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: 4030000 789.7598 2097.7845 1959.7011 107.7555 -206442.8667 17982.2236 0.0000 0.0000 34280.9278 -149224.7144 299.3839 -183505.6422 -149122.6979 298.9711 49.1778 80.9397 557127.7569 0.4103 0.4823 PRESSURE: 4030200 -120.107 5.89516 -19.8871 5.8955 -70.1893 114.123 -19.8868 114.124 -255.539 GPRESSURE: 4030200 -107.942 1.67443 65.21 49.1498 -40.1415 82.3677 12.3412 150.1 -206.387 PRESSAVG: 4030200 -7.18825 -34.0696 -23.2735 -34.0696 -43.0829 75.2905 -23.2736 75.2904 -0.861727 GPRESSAVG: 4030200 -7.80135 -34.7903 -23.2744 -34.232 -42.1444 78.6542 -23.9965 75.1169 -1.55726 TIMING: 4030200 CPU: 11712.7, 0.00290492/step Wall: 11712.7, 0.00290492/step, 0.782554 hours remaining, 209.519531 MB of memory in use. ENERGY: 4030200 812.5895 2100.4517 1965.3292 110.9441 -206152.4781 17678.4264 0.0000 0.0000 34202.9533 -149281.7839 298.7029 -183484.7372 -149181.8211 299.1898 -148.6118 -118.1568 557396.5861 -17.0443 -17.1677 PRESSURE: 4030400 -216.834 16.2042 -7.21732 16.2058 124.024 -82.8843 -7.21756 -82.8846 -152.575 GPRESSURE: 4030400 -195.872 21.0867 -9.94422 5.74012 154.168 -103.568 46.7498 -77.73 -99.3947 PRESSAVG: 4030400 -20.5915 -44.3804 61.0488 -44.3804 71.4267 -6.55182 61.0487 -6.55176 9.13005 GPRESSAVG: 4030400 -21.5833 -43.0119 59.6691 -42.9231 73.0695 -8.04365 61.6196 -6.03367 8.90393 TIMING: 4030400 CPU: 11713.3, 0.00290394/step Wall: 11713.3, 0.00290394/step, 0.782128 hours remaining, 209.519531 MB of memory in use. ENERGY: 4030400 729.4108 2080.3001 1953.9981 115.1522 -206358.8866 17760.2891 0.0000 0.0000 34324.3889 -149395.3475 299.7634 -183719.7363 -149290.7176 299.5448 -81.7949 -47.0326 557163.7613 19.9884 20.1300 PRESSURE: 4030600 -131.768 26.6962 -77.0929 26.6962 -177.058 133.244 -77.0935 133.245 151.835 GPRESSURE: 4030600 -132.721 88.5651 -27.2489 -101.426 -150.994 175.084 -68.6468 67.6429 205.389 PRESSAVG: 4030600 25.445 4.22624 -59.4696 4.22618 -59.2571 -4.91542 -59.4697 -4.91547 8.99758 GPRESSAVG: 4030600 26.2414 3.01953 -57.8331 3.38563 -61.3338 -2.96393 -60.2691 -6.52631 10.4419 TIMING: 4030600 CPU: 11713.9, 0.00290954/step Wall: 11713.9, 0.00290954/step, 0.783473 hours remaining, 209.519531 MB of memory in use. ENERGY: 4030600 718.5843 2139.3120 1950.0423 115.6866 -206329.1944 17768.2511 0.0000 0.0000 34338.4102 -149298.9078 299.8859 -183637.3180 -149197.6184 299.3755 -52.3305 -26.1084 557439.3860 -8.2715 -8.2168 PRESSURE: 4030800 -321.911 131.952 113.032 131.951 -357.566 253.589 113.032 253.59 -56.6622 GPRESSURE: 4030800 -287.521 102.482 125.219 154.64 -276.166 207.31 87.5453 222.635 -65.2141 PRESSAVG: 4030800 -8.57954 -14.0481 63.552 -14.0482 -34.2024 41.1036 63.5519 41.1036 23.6968 GPRESSAVG: 4030800 -7.40712 -13.298 63.6911 -14.4879 -33.3985 39.9773 64.3463 41.8863 21.6131 TIMING: 4030800 CPU: 11714.5, 0.0029132/step Wall: 11714.5, 0.0029132/step, 0.784297 hours remaining, 209.519531 MB of memory in use. ENERGY: 4030800 777.5667 2131.9795 1934.0189 97.4380 -205979.9367 17364.1728 0.0000 0.0000 34167.3214 -149507.4396 298.3917 -183674.7609 -149409.2633 298.5143 -245.3795 -209.6337 557135.6399 -6.3617 -6.3975 PRESSURE: 4031000 173.221 45.1895 5.09192 45.1894 309.52 31.8783 5.09318 31.8774 191.529 GPRESSURE: 4031000 245.821 27.6796 -73.2113 99.3267 283.393 52.0866 21.542 56.2009 253.146 PRESSAVG: 4031000 -5.46735 9.51536 37.5838 9.51534 -57.5853 -44.0116 37.5838 -44.0114 37.2385 GPRESSAVG: 4031000 -6.07411 11.3802 37.4949 9.03176 -58.4427 -43.2567 36.4985 -45.9773 38.4278 TIMING: 4031000 CPU: 11715.1, 0.00290277/step Wall: 11715.1, 0.00290277/step, 0.781328 hours remaining, 209.519531 MB of memory in use. ENERGY: 4031000 795.2860 2085.3412 1957.1990 111.5650 -206706.6463 18402.3602 0.0000 0.0000 33934.0309 -149420.8639 296.3543 -183354.8949 -149323.8814 298.4568 224.7569 260.7865 556558.1910 -8.6047 -8.6963 PRESSURE: 4031200 19.8242 123.774 -142.545 123.773 -171.741 57.1461 -142.546 57.1441 172.795 GPRESSURE: 4031200 21.2775 160.69 -203.618 68.8392 -131.015 108.076 -125.688 49.6064 223.361 PRESSAVG: 4031200 -53.8225 36.344 20.2587 36.344 -15.0469 -35.3116 20.2587 -35.3116 32.3014 GPRESSAVG: 4031200 -54.6307 33.9141 18.5503 36.8634 -13.6084 -35.2258 22.1712 -33.4652 32.0393 TIMING: 4031200 CPU: 11715.6, 0.00291296/step Wall: 11715.6, 0.00291296/step, 0.783909 hours remaining, 209.519531 MB of memory in use. ENERGY: 4031200 773.7980 2094.0333 1940.2122 112.0195 -206337.6686 17848.0460 0.0000 0.0000 34293.9591 -149275.6006 299.4977 -183569.5597 -149176.1733 298.9281 6.9596 37.8744 556468.9856 -12.1893 -12.0666 PRESSURE: 4031400 -103.756 -62.7177 10.4962 -62.717 -47.6237 -39.3725 10.4959 -39.3736 119.664 GPRESSURE: 4031400 -35.8521 -4.51205 -21.3468 -47.107 -13.1011 34.9805 57.7707 11.0297 126.483 PRESSAVG: 4031400 -37.6878 13.9779 -21.8914 13.9779 47.2604 10.8969 -21.8914 10.8969 0.139206 GPRESSAVG: 4031400 -36.4976 14.9305 -21.492 13.3188 46.4373 9.86717 -22.7205 11.1554 -0.301382 TIMING: 4031400 CPU: 11716.2, 0.00289458/step Wall: 11716.2, 0.00289458/step, 0.778802 hours remaining, 209.519531 MB of memory in use. ENERGY: 4031400 787.3151 2110.5975 1957.2401 110.3607 -206453.1037 17972.7463 0.0000 0.0000 34291.6215 -149223.2224 299.4773 -183514.8439 -149126.5270 299.4603 -10.5720 25.8433 557006.1245 3.2373 3.2128 PRESSURE: 4031600 -85.1762 -95.66 -101.426 -95.6602 -18.2888 -34.5693 -101.426 -34.5701 56.2254 GPRESSURE: 4031600 -28.7273 -4.44439 -212.744 -144.204 59.8944 54.5616 -79.4917 -125.584 27.8338 PRESSAVG: 4031600 -12.4089 -28.1365 0.421223 -28.1365 -2.13682 -13.8763 0.421323 -13.8762 -25.7039 GPRESSAVG: 4031600 -13.303 -30.2596 0.799651 -27.2918 -2.69711 -12.3244 -0.157683 -13.8835 -24.2672 TIMING: 4031600 CPU: 11716.8, 0.00289208/step Wall: 11716.8, 0.00289208/step, 0.777971 hours remaining, 209.519531 MB of memory in use. ENERGY: 4031600 731.9992 2091.0934 1960.7202 103.7058 -205917.0936 17636.2933 0.0000 0.0000 34137.9553 -149255.3263 298.1353 -183393.2816 -149163.3478 299.0104 -15.7465 19.6670 557392.4719 -13.4165 -13.4224 PRESSURE: 4031800 -128.355 30.0994 -115.69 30.0988 230.215 -42.4536 -115.688 -42.4533 37.9851 GPRESSURE: 4031800 -100.837 -27.0721 -148.694 62.8199 291.495 -7.76101 -119.572 57.1752 50.5319 PRESSAVG: 4031800 0.360799 -57.4644 22.5816 -57.4643 8.70444 0.612781 22.5816 0.612714 -20.4303 GPRESSAVG: 4031800 1.49496 -55.8625 22.4237 -58.7456 8.43088 1.91139 23.1377 -1.88784 -22.1533 TIMING: 4031800 CPU: 11717.4, 0.00291072/step Wall: 11717.4, 0.00291072/step, 0.782823 hours remaining, 209.519531 MB of memory in use. ENERGY: 4031800 737.7359 2135.6312 1963.6304 121.7912 -206001.2998 17771.2956 0.0000 0.0000 34038.9731 -149232.2425 297.2708 -183271.2155 -149136.3556 299.3636 46.6150 80.3968 557789.5100 -3.7884 -4.0758 PRESSURE: 4032000 -7.7097 -162.058 14.7081 -162.058 -357.438 -41.0825 14.7078 -41.0834 -258.799 GPRESSURE: 4032000 32.8745 -102.892 -27.2075 -147.702 -371.341 -88.9665 11.3215 32.2948 -180.73 PRESSAVG: 4032000 76.5842 -19.391 0.249617 -19.391 24.0238 -50.8343 0.249558 -50.8344 -49.6606 GPRESSAVG: 4032000 76.5489 -20.2944 0.250683 -19.4946 24.6928 -51.4485 -0.595452 -48.0694 -50.4351 TIMING: 4032000 CPU: 11718, 0.00289009/step Wall: 11718, 0.00289009/step, 0.777114 hours remaining, 209.519531 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: 4032000 736.3013 2065.2814 1988.4006 102.2684 -205720.3987 17463.9173 0.0000 0.0000 34097.8461 -149266.3835 297.7850 -183364.2296 -149171.6306 298.3975 -207.9820 -173.0657 557981.4552 16.9825 16.9355 PRESSURE: 4032200 -40.6329 46.8177 -59.1248 46.8185 -181.346 2.75371 -59.1246 2.75341 -244.746 GPRESSURE: 4032200 -64.1485 101.55 -107.558 9.53725 -161.042 38.0565 -128.919 -47.8812 -140.116 PRESSAVG: 4032200 115.277 9.33077 -26.0492 9.33073 -34.7527 -33.8433 -26.0491 -33.8432 -44.3538 GPRESSAVG: 4032200 112.867 10.159 -25.632 9.94888 -33.6128 -35.2752 -27.8652 -33.4013 -43.2203 TIMING: 4032200 CPU: 11718.5, 0.0028882/step Wall: 11718.5, 0.0028882/step, 0.776445 hours remaining, 209.519531 MB of memory in use. ENERGY: 4032200 752.7710 2127.5682 1957.1064 119.3760 -206087.9746 17660.8623 0.0000 0.0000 34196.0462 -149274.2446 298.6426 -183470.2908 -149173.7812 298.6581 -155.5750 -121.7686 558732.1233 12.0567 12.0113 LDB: ============= START OF LOAD BALANCING ============== 11722 LDB: ============== END OF LOAD BALANCING =============== 11722 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722 LDB: ============= START OF LOAD BALANCING ============== 11722.3 LDB: Largest compute 4848 load 0.030736 is 26.1% of average load 0.117782 LDB: Average compute 0.001740 is 1.5% of average load 0.117782 LDB: TIME 11722.3 LOAD: AVG 0.117782 MAX 0.180828 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.941 MB LDB: TIME 11722.3 LOAD: AVG 0.117782 MAX 0.180828 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: TIME 11722.3 LOAD: AVG 0.117782 MAX 0.180828 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.145 MB LDB: ============== END OF LOAD BALANCING =============== 11722.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11722.3 PRESSURE: 4032400 -47.001 -159.064 134.06 -159.063 53.255 34.9088 134.059 34.909 -231.008 GPRESSURE: 4032400 -34.4581 -125.278 112.443 -197.286 68.2461 -11.7347 155.135 144.373 -161.281 PRESSAVG: 4032400 26.0764 -1.90864 -38.2439 -1.9087 52.6342 -34.3563 -38.2438 -34.3563 -30.5407 GPRESSAVG: 4032400 28.7617 -0.373171 -37.3241 -4.59741 51.3674 -33.9778 -36.9688 -35.7826 -31.9499 TIMING: 4032400 CPU: 11719.1, 0.00295968/step Wall: 11719.1, 0.00295968/step, 0.795496 hours remaining, 207.613281 MB of memory in use. ENERGY: 4032400 754.7717 2030.4912 1969.6136 115.0364 -206121.8028 17710.5853 0.0000 0.0000 34337.2712 -149204.0333 299.8759 -183541.3045 -149116.6622 299.4803 -74.9179 -42.4976 557344.1906 16.0566 16.0597 PRESSURE: 4032600 168.385 139.019 53.4353 139.018 147.944 -10.9468 53.4351 -10.9476 -339.085 GPRESSURE: 4032600 195.613 115.948 96.95 160.962 142.792 54.4926 78.1883 -76.205 -268.14 PRESSAVG: 4032600 71.6816 -34.5555 53.4029 -34.5554 -37.1186 -19.3063 53.403 -19.3062 -47.4129 GPRESSAVG: 4032600 70.6351 -36.7406 52.1486 -31.1339 -37.8673 -19.2796 54.4578 -18.997 -45.6655 TIMING: 4032600 CPU: 11719.7, 0.00288/step Wall: 11719.7, 0.00288/step, 0.773921 hours remaining, 207.816406 MB of memory in use. ENERGY: 4032600 707.8896 2050.1655 1967.0159 126.8852 -206320.5547 17840.9775 0.0000 0.0000 34378.9891 -149248.6319 300.2403 -183627.6209 -149150.5207 299.1714 -7.5854 23.4214 557412.9722 -4.2833 -4.2993 PRESSURE: 4032800 -156.038 -274.89 75.982 -274.89 68.8161 -55.9912 75.9818 -55.9907 -73.7707 GPRESSURE: 4032800 -112.498 -188.132 52.6969 -313.725 20.3757 -19.0513 128.98 -77.7159 25.8821 PRESSAVG: 4032800 17.6854 -66.1908 15.2992 -66.1908 28.4401 31.6825 15.2991 31.6825 -40.9621 GPRESSAVG: 4032800 17.3747 -64.965 15.8472 -66.3323 29.6741 31.4389 16.005 32.2348 -42.1832 TIMING: 4032800 CPU: 11720.3, 0.00289091/step Wall: 11720.3, 0.00289091/step, 0.77669 hours remaining, 207.816406 MB of memory in use. ENERGY: 4032800 694.9255 2081.2120 1951.7561 96.7498 -206161.6714 17692.1647 0.0000 0.0000 34343.7001 -149301.1633 299.9321 -183644.8634 -149203.6567 299.4055 -53.6643 -22.0801 556712.8763 1.7211 1.6219 PRESSURE: 4033000 50.6378 -310.881 -9.03464 -310.882 -179.781 -44.6179 -9.03502 -44.618 -262.162 GPRESSURE: 4033000 77.1282 -228.072 58.8736 -312.025 -184.242 -92.3667 30.7544 12.1113 -189.601 PRESSAVG: 4033000 5.5627 -115.368 -69.2354 -115.368 24.7259 -35.264 -69.2354 -35.2639 -8.30491 GPRESSAVG: 4033000 5.18669 -117.723 -69.1003 -116.884 24.677 -34.4245 -71.8863 -36.0834 -7.74166 TIMING: 4033000 CPU: 11720.9, 0.00289736/step Wall: 11720.9, 0.00289736/step, 0.778263 hours remaining, 207.816406 MB of memory in use. ENERGY: 4033000 735.3410 2065.9777 1976.4038 110.4124 -205999.3807 17567.8571 0.0000 0.0000 34340.4537 -149202.9350 299.9037 -183543.3887 -149107.6070 298.7056 -130.4351 -98.9049 557143.0608 7.3279 7.3740 PRESSURE: 4033200 -125.3 -97.3669 1.27794 -97.3676 -97.1198 -70.545 1.27709 -70.5446 15.0266 GPRESSURE: 4033200 -89.1106 -21.7218 -4.11616 -106.84 -88.5034 -121.245 42.8077 -60.4602 68.8269 PRESSAVG: 4033200 15.5612 -62.7958 -40.8787 -62.7958 -17.8512 17.414 -40.8787 17.4141 -8.93124 GPRESSAVG: 4033200 16.098 -61.079 -40.5763 -62.211 -19.0189 19.3651 -40.1361 17.4462 -8.67461 TIMING: 4033200 CPU: 11721.4, 0.00287452/step Wall: 11721.4, 0.00287451/step, 0.771967 hours remaining, 207.816406 MB of memory in use. ENERGY: 4033200 712.6346 2112.1203 1991.8541 119.8139 -206113.9353 17702.3471 0.0000 0.0000 34320.2083 -149154.9571 299.7269 -183475.1654 -149060.9316 299.6344 -69.1312 -36.2624 556930.0618 -3.7404 -3.8652 PRESSURE: 4033400 -102.767 -103.696 106.635 -103.696 -13.2888 183.23 106.637 183.231 -69.1308 GPRESSURE: 4033400 -85.8049 -107.596 76.9596 -62.5038 -9.315 206.75 55.079 126.056 -5.59514 PRESSAVG: 4033400 1.22148 -36.8899 -43.4004 -36.8898 34.212 -6.59441 -43.4003 -6.59442 -43.4906 GPRESSAVG: 4033400 2.63958 -37.1493 -43.052 -37.6887 33.3697 -9.10608 -43.5781 -5.68959 -44.2043 TIMING: 4033400 CPU: 11722, 0.00290881/step Wall: 11722, 0.00290881/step, 0.781015 hours remaining, 207.816406 MB of memory in use. ENERGY: 4033400 741.7303 2148.7358 1949.8515 114.4486 -206235.2902 17814.5091 0.0000 0.0000 34426.6237 -149039.3911 300.6563 -183466.0148 -148946.6637 299.4756 -61.7288 -33.5717 558729.5380 -2.6857 -2.7317 PRESSURE: 4033600 124.245 -25.7107 -0.315885 -25.7108 -209.766 40.7321 -0.316677 40.7322 193.903 GPRESSURE: 4033600 153.505 -48.7211 -19.2588 -77.4446 -177.913 16.133 -0.363513 125.915 228.355 PRESSAVG: 4033600 -3.29781 -71.1756 -14.3052 -71.1756 39.7395 12.183 -14.305 12.1828 -59.4882 GPRESSAVG: 4033600 -4.63056 -72.582 -16.4923 -69.7459 41.0685 11.6198 -13.3795 13.5961 -59.4945 TIMING: 4033600 CPU: 11722.6, 0.00288846/step Wall: 11722.6, 0.00288846/step, 0.77539 hours remaining, 207.816406 MB of memory in use. ENERGY: 4033600 745.9629 2086.6388 1986.2585 113.7581 -206469.9310 17999.7522 0.0000 0.0000 34293.3862 -149244.1743 299.4927 -183537.5605 -149154.7750 298.5665 36.1272 67.9822 557649.2640 -7.6822 -7.6855 PRESSURE: 4033800 -33.5301 -70.1341 -59.715 -70.1335 -144.709 -46.4696 -59.715 -46.4686 -27.4786 GPRESSURE: 4033800 -34.2071 -58.3144 -110.953 -43.2737 -112.208 -85.0424 33.5495 -43.395 34.6798 PRESSAVG: 4033800 132.206 -10.18 15.7606 -10.1801 -50.6391 -20.1476 15.7606 -20.1477 -47.6059 GPRESSAVG: 4033800 130.719 -9.7882 14.894 -11.0653 -51.0103 -19.5719 17.0169 -23.5944 -46.0779 TIMING: 4033800 CPU: 11723.2, 0.00289142/step Wall: 11723.2, 0.00289142/step, 0.776025 hours remaining, 207.816406 MB of memory in use. ENERGY: 4033800 733.6062 2131.7632 1987.9493 119.0120 -206324.8872 17677.1894 0.0000 0.0000 34295.1371 -149380.2301 299.5080 -183675.3672 -149285.9633 299.2420 -68.5724 -37.2451 556183.1472 11.3204 11.2104 PRESSURE: 4034000 39.9211 58.7623 52.0374 58.7629 264.157 -47.4761 52.0372 -47.4751 281.585 GPRESSURE: 4034000 97.0689 104.966 65.0451 66.0095 295.185 -37.0756 -11.5919 -48.6658 305.987 PRESSAVG: 4034000 7.48417 26.5598 -42.2745 26.5598 -40.9401 -13.4908 -42.2745 -13.4906 0.243145 GPRESSAVG: 4034000 8.89677 26.6729 -40.6717 27.225 -41.0965 -15.1394 -43.3336 -11.4936 -0.42272 TIMING: 4034000 CPU: 11723.7, 0.00290854/step Wall: 11723.7, 0.00290854/step, 0.780458 hours remaining, 207.816406 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: 4034000 763.2618 2111.0964 1972.4562 115.1382 -206729.8420 18130.4421 0.0000 0.0000 34186.5311 -149450.9161 298.5595 -183637.4472 -149361.0411 298.5154 195.2211 232.7473 555751.3349 -11.0709 -10.8742 PRESSURE: 4034200 -28.3728 132.663 -39.4377 132.664 228.627 -96.2278 -39.439 -96.2289 75.5125 GPRESSURE: 4034200 -18.7836 53.5131 17.0048 112.046 294.988 -68.4403 2.71903 -48.3595 98.5708 PRESSAVG: 4034200 -10.251 76.4961 -42.5063 76.496 -67.5238 0.336249 -42.5065 0.336254 137.434 GPRESSAVG: 4034200 -10.5758 76.9272 -41.9211 73.7061 -65.5346 2.78758 -44.213 -0.416775 136.708 TIMING: 4034200 CPU: 11724.3, 0.00289615/step Wall: 11724.3, 0.00289615/step, 0.776972 hours remaining, 207.816406 MB of memory in use. ENERGY: 4034200 776.6428 2037.3075 1972.3802 112.7047 -206651.9628 18009.9541 0.0000 0.0000 34387.1169 -149355.8565 300.3112 -183742.9734 -149257.5412 298.8357 91.9223 124.9249 555942.4876 19.8863 20.1992 PRESSURE: 4034400 39.5933 135.176 78.134 135.176 -112.928 -76.2809 78.1347 -76.281 -63.1784 GPRESSURE: 4034400 58.6189 113.179 159.889 72.9985 -63.9394 -103.398 43.4803 -101.892 -35.69 PRESSAVG: 4034400 -19.9388 40.0741 4.01616 40.0742 -12.5112 27.9078 4.01617 27.9078 1.73892 GPRESSAVG: 4034400 -18.4927 41.0344 4.50689 39.5986 -14.258 27.6512 5.73389 26.9735 2.02233 TIMING: 4034400 CPU: 11724.9, 0.0029127/step Wall: 11724.9, 0.0029127/step, 0.78125 hours remaining, 207.816406 MB of memory in use. ENERGY: 4034400 781.6012 2141.3493 1940.4429 121.7966 -206479.2663 17856.2401 0.0000 0.0000 34336.1243 -149301.7118 299.8659 -183637.8360 -149202.4200 299.5655 -45.5045 -13.6702 556977.8661 -10.2370 -10.2428 PRESSURE: 4034600 206.221 96.3494 -39.6485 96.3501 206.145 98.2414 -39.6469 98.2421 72.6267 GPRESSURE: 4034600 237.387 92.5953 -15.6626 123.383 230.155 87.0718 -26.5337 47.8036 115.235 PRESSAVG: 4034600 78.683 26.0055 -30.1317 26.0055 -92.788 43.2138 -30.1317 43.2139 23.993 GPRESSAVG: 4034600 78.9731 25.1241 -30.6677 28.6655 -91.1451 43.0076 -32.1681 44.2546 22.785 TIMING: 4034600 CPU: 11725.5, 0.00289329/step Wall: 11725.5, 0.00289329/step, 0.775884 hours remaining, 207.816406 MB of memory in use. ENERGY: 4034600 719.7932 2131.5211 1914.2309 107.0030 -206484.3749 18140.5098 0.0000 0.0000 34237.2312 -149234.0858 299.0023 -183471.3170 -149136.6052 299.0888 161.6642 194.2593 556639.5952 3.2960 3.5377 PRESSURE: 4034800 -98.4596 -116.661 71.7377 -116.661 -26.6833 138.502 71.7383 138.503 -85.0307 GPRESSURE: 4034800 -44.8884 -23.4646 128.073 -128.782 4.95793 103.92 19.3745 23.9784 -64.4714 PRESSAVG: 4034800 -14.1924 25.6696 6.27917 25.6696 -6.49005 8.77389 6.27905 8.77394 -13.6679 GPRESSAVG: 4034800 -14.8028 27.663 6.94096 25.8019 -6.40153 7.76254 7.58753 10.3369 -13.0578 TIMING: 4034800 CPU: 11726.1, 0.00289743/step Wall: 11726.1, 0.00289743/step, 0.776832 hours remaining, 207.816406 MB of memory in use. ENERGY: 4034800 710.1659 2050.0769 1964.2713 111.8663 -206143.3646 17764.6023 0.0000 0.0000 34252.8277 -149289.5542 299.1385 -183542.3818 -149191.5809 298.6850 -70.0578 -34.8006 557085.1957 -11.4501 -11.4207 PRESSURE: 4035000 102.431 -113.964 -174.06 -113.963 269.837 -101.308 -174.061 -101.307 -114.159 GPRESSURE: 4035000 136.828 -78.3406 -209.319 -37.2944 330.786 -58.2443 -102.589 -110.837 -97.0529 PRESSAVG: 4035000 6.24726 2.63057 -90.9752 2.63053 9.81837 31.7198 -90.9752 31.7199 13.52 GPRESSAVG: 4035000 6.66443 0.216974 -91.5264 1.54716 9.492 33.8222 -89.9483 30.3535 13.332 TIMING: 4035000 CPU: 11726.7, 0.00290361/step Wall: 11726.7, 0.00290361/step, 0.778329 hours remaining, 207.816406 MB of memory in use. ENERGY: 4035000 756.6369 2075.3623 1944.1623 105.3455 -206351.9284 18001.5198 0.0000 0.0000 34160.4171 -149308.4845 298.3314 -183468.9016 -149223.3135 298.7726 86.0363 123.5203 556290.3559 9.8619 9.8295 PRESSURE: 4035200 45.0635 -11.8873 48.2848 -11.8883 68.3741 106.593 48.2845 106.594 45.952 GPRESSURE: 4035200 138.124 22.0655 74.7736 -71.551 40.8267 85.7977 44.0529 80.9017 70.3162 PRESSAVG: 4035200 58.5532 -29.4491 22.4346 -29.449 42.3103 33.1634 22.4347 33.1635 -78.2003 GPRESSAVG: 4035200 58.9854 -28.9568 21.1363 -28.6629 40.8218 30.1584 22.4721 32.3283 -76.4687 TIMING: 4035200 CPU: 11727.2, 0.00292233/step Wall: 11727.2, 0.00292233/step, 0.783186 hours remaining, 207.816406 MB of memory in use. ENERGY: 4035200 757.1898 2076.3037 1984.6843 110.0674 -206437.2573 17819.2835 0.0000 0.0000 34452.0975 -149237.6311 300.8787 -183689.7286 -149141.0801 298.7760 53.1299 83.0889 555644.2149 7.5544 7.7795 PRESSURE: 4035400 -85.122 -65.2965 -38.5803 -65.2968 -22.5413 46.6607 -38.582 46.6585 -32.7367 GPRESSURE: 4035400 -73.3959 -16.0541 -109.871 -47.3013 18.1825 12.5972 13.028 80.2848 5.94164 PRESSAVG: 4035400 8.18373 -6.0889 -38.8392 -6.08892 43.076 9.88222 -38.8392 9.882 -60.3926 GPRESSAVG: 4035400 8.05674 -5.44632 -38.8298 -6.8625 43.104 13.0813 -38.4681 9.20605 -60.6563 TIMING: 4035400 CPU: 11727.8, 0.00291552/step Wall: 11727.8, 0.00291552/step, 0.781198 hours remaining, 207.816406 MB of memory in use. ENERGY: 4035400 720.0678 2155.1069 1979.1509 114.6496 -206130.8289 17660.7329 0.0000 0.0000 34221.0789 -149280.0419 298.8612 -183501.1208 -149182.8382 299.0494 -46.8000 -16.4239 557186.6174 -3.0443 -3.1652 PRESSURE: 4035600 25.6567 -34.7318 27.9712 -34.7327 30.9838 75.2915 27.9696 75.2904 -32.1686 GPRESSURE: 4035600 115.396 -44.0571 72.8417 -19.5621 35.0804 165.97 -25.7109 66.8037 -20.3178 PRESSAVG: 4035600 -0.319235 -79.384 -54.9085 -79.384 50.9107 62.8701 -54.9084 62.8701 -9.9016 GPRESSAVG: 4035600 -1.0055 -81.8572 -52.576 -78.6475 51.3913 62.5245 -56.4287 64.9573 -9.8738 TIMING: 4035600 CPU: 11728.4, 0.00290958/step Wall: 11728.4, 0.00290958/step, 0.779444 hours remaining, 207.816406 MB of memory in use. ENERGY: 4035600 723.7351 2081.1827 1951.6291 101.4506 -206231.9146 17754.4991 0.0000 0.0000 34300.3778 -149319.0402 299.5537 -183619.4180 -149220.9449 299.0361 8.1573 43.3863 557275.6968 13.5633 13.5040 PRESSURE: 4035800 -408.619 -93.5055 90.3879 -93.5058 -231.823 -17.3679 90.3871 -17.3676 -254.144 GPRESSURE: 4035800 -422.896 -150.218 21.749 19.5941 -131.321 12.855 41.2105 -24.576 -241.896 PRESSAVG: 4035800 15.1354 -38.3848 -15.8607 -38.3847 85.9594 46.7313 -15.8607 46.7313 -94.0726 GPRESSAVG: 4035800 14.6446 -37.4756 -17.6571 -38.7213 87.1949 44.0952 -16.8074 47.019 -94.2824 TIMING: 4035800 CPU: 11729, 0.0029243/step Wall: 11729, 0.0029243/step, 0.783225 hours remaining, 208.019531 MB of memory in use. ENERGY: 4035800 720.2222 2062.0260 1949.3968 116.1926 -205934.0592 17566.2725 0.0000 0.0000 34231.9845 -149287.9645 298.9564 -183519.9490 -149190.5976 298.8095 -298.1954 -265.3710 559948.8620 2.3407 2.5190 PRESSURE: 4036000 -128.201 15.0582 53.1935 15.0588 76.3047 73.2553 53.1941 73.2548 -48.8491 GPRESSURE: 4036000 -97.2984 -22.4027 11.3914 71.0277 73.2519 112.45 95.8028 98.8445 18.3838 PRESSAVG: 4036000 -9.50075 -5.87006 -9.72171 -5.86999 -4.40519 -25.0457 -9.72164 -25.0457 -25.2408 GPRESSAVG: 4036000 -8.8679 -4.22334 -9.59728 -5.31926 -5.30341 -24.8447 -8.53142 -24.5374 -24.8706 TIMING: 4036000 CPU: 11729.6, 0.00290086/step Wall: 11729.6, 0.00290086/step, 0.776786 hours remaining, 208.019531 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: 4036000 759.2706 2058.5667 1972.6900 106.2763 -206063.8740 17732.0022 0.0000 0.0000 34146.5835 -149288.4847 298.2106 -183435.0682 -149192.8403 298.9885 -33.5817 -1.8876 556242.2866 -13.0489 -13.0140 PRESSURE: 4036200 160.777 -67.4046 54.2529 -67.406 184.362 26.5193 54.2529 26.5193 -13.6768 GPRESSURE: 4036200 204.065 -48.933 100.672 -56.6425 244.456 60.4705 -11.3602 -54.2721 -18.3316 PRESSAVG: 4036200 -3.15922 -35.1048 33.3949 -35.1047 43.5068 -47.5177 33.3948 -47.5179 -40.5131 GPRESSAVG: 4036200 -4.50753 -36.2494 33.3708 -36.5929 43.6809 -46.5626 32.733 -48.2919 -40.1357 TIMING: 4036200 CPU: 11730.1, 0.0029009/step Wall: 11730.1, 0.0029009/step, 0.776637 hours remaining, 208.019531 MB of memory in use. ENERGY: 4036200 745.4744 2065.3103 1952.1588 117.7205 -206409.0995 18125.4335 0.0000 0.0000 34231.6315 -149171.3706 298.9534 -183403.0021 -149079.2166 298.9801 110.4872 143.3963 557916.2492 -0.0552 -0.3208 LDB: ============= START OF LOAD BALANCING ============== 11733.6 LDB: ============== END OF LOAD BALANCING =============== 11733.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11733.6 LDB: ============= START OF LOAD BALANCING ============== 11733.9 LDB: Largest compute 4848 load 0.030030 is 25.5% of average load 0.117820 LDB: Average compute 0.001745 is 1.5% of average load 0.117820 LDB: TIME 11733.9 LOAD: AVG 0.11782 MAX 0.181011 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11733.9 LOAD: AVG 0.11782 MAX 0.181011 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: TIME 11733.9 LOAD: AVG 0.11782 MAX 0.181011 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11733.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11733.9 PRESSURE: 4036400 -118.062 -62.3247 -86.7389 -62.3245 -163.261 83.9544 -86.7392 83.9543 7.67829 GPRESSURE: 4036400 -144.69 -65.8102 -182.438 -29.6432 -106.47 -78.4229 30.6785 131.072 63.0314 PRESSAVG: 4036400 102.585 -14.5631 8.90209 -14.5632 -83.9022 -0.997985 8.90205 -0.997975 -65.8196 GPRESSAVG: 4036400 103.759 -13.5026 7.87556 -11.8219 -83.4902 1.28791 11.3868 -2.96366 -67.5997 TIMING: 4036400 CPU: 11730.7, 0.00295063/step Wall: 11730.7, 0.00295063/step, 0.789786 hours remaining, 209.121094 MB of memory in use. ENERGY: 4036400 778.0186 2115.8167 1966.6251 107.3317 -205862.1061 17734.7352 0.0000 0.0000 34175.1578 -148984.4211 298.4602 -183159.5789 -148886.6264 299.0805 -91.2147 -62.7095 558815.0889 -15.7121 -15.7768 PRESSURE: 4036600 -170.027 -52.7944 111.864 -52.7931 0.165919 0.435443 111.863 0.436008 -131.586 GPRESSURE: 4036600 -137.301 -104.74 138.814 -13.3758 60.5868 89.1563 93.4485 -57.4513 -125.137 PRESSAVG: 4036600 -32.1924 -22.8972 -52.5094 -22.8972 26.1491 -37.4366 -52.5094 -37.4364 -8.72775 GPRESSAVG: 4036600 -32.2396 -23.5239 -49.8202 -24.9736 25.6052 -38.7759 -56.0746 -37.3429 -8.09828 TIMING: 4036600 CPU: 11731.3, 0.00293109/step Wall: 11731.3, 0.00293109/step, 0.784393 hours remaining, 209.324219 MB of memory in use. ENERGY: 4036600 739.2861 2069.3828 1954.3651 109.4979 -205893.8528 17556.0493 0.0000 0.0000 34398.0307 -149067.2410 300.4066 -183465.2716 -148964.6860 298.6518 -100.4823 -67.2837 557048.6081 -4.9237 -4.9109 PRESSURE: 4036800 -217.829 -41.8345 -7.78789 -41.8342 -14.4192 73.3051 -7.78779 73.3075 109.729 GPRESSURE: 4036800 -180.5 -39.6838 25.7693 18.1769 1.79462 125.559 15.8076 65.2628 152.321 PRESSAVG: 4036800 -25.0566 -6.22646 7.43612 -6.22644 25.4825 7.92983 7.43617 7.9298 1.75507 GPRESSAVG: 4036800 -24.6539 -7.46599 5.47378 -5.83413 23.931 7.4209 9.1434 10.0395 2.78428 TIMING: 4036800 CPU: 11731.9, 0.00290657/step Wall: 11731.9, 0.00290657/step, 0.77767 hours remaining, 209.324219 MB of memory in use. ENERGY: 4036800 734.4764 2066.8738 1948.7403 97.5988 -206103.9363 17692.1612 0.0000 0.0000 34277.2265 -149286.8594 299.3515 -183564.0859 -149188.0373 299.0364 -40.8395 -8.7948 556583.7075 0.7270 0.6871 PRESSURE: 4037000 102.26 1.55136 197.552 1.55144 -52.3729 62.1889 197.551 62.1893 -51.3795 GPRESSURE: 4037000 117.839 -35.7234 209.998 -18.0053 -31.2979 120.315 141.085 -16.0186 -2.39423 PRESSAVG: 4037000 -38.0489 9.55915 29.4085 9.55911 56.5948 49.901 29.4085 49.9011 -0.717861 GPRESSAVG: 4037000 -39.1795 10.2918 31.2589 9.84954 58.0449 50.749 27.1188 48.615 -1.39662 TIMING: 4037000 CPU: 11732.5, 0.00291548/step Wall: 11732.5, 0.00291548/step, 0.779892 hours remaining, 209.324219 MB of memory in use. ENERGY: 4037000 764.1285 2143.2976 1958.3874 119.1329 -206238.7904 17900.2322 0.0000 0.0000 33861.0742 -149492.5377 295.7172 -183353.6119 -149396.0620 298.0313 -0.4976 28.0490 558186.0982 5.9427 5.8229 PRESSURE: 4037200 -175.645 24.1846 -74.4799 24.1829 -110.499 86.9642 -74.4796 86.9642 -247.39 GPRESSURE: 4037200 -148.098 30.8261 -75.4107 -5.42281 -48.0479 90.1825 -58.4278 156.72 -243.912 PRESSAVG: 4037200 -2.67368 67.3799 -1.95333 67.38 8.40543 6.46841 -1.95337 6.46843 -42.3501 GPRESSAVG: 4037200 -2.11564 66.9631 -4.10308 68.7698 8.75297 8.32054 0.466994 6.37785 -42.6759 TIMING: 4037200 CPU: 11733.1, 0.00289535/step Wall: 11733.1, 0.00289535/step, 0.774344 hours remaining, 209.324219 MB of memory in use. ENERGY: 4037200 772.9605 2126.2899 1956.4876 106.8181 -206271.2301 17771.1644 0.0000 0.0000 34046.9487 -149490.5608 297.3405 -183537.5095 -149398.9442 298.1481 -177.8443 -146.6861 558736.0028 -12.2061 -12.0129 PRESSURE: 4037400 -183.435 58.3332 -66.2947 58.3339 -104.803 6.71937 -66.2953 6.71915 -107.616 GPRESSURE: 4037400 -166.8 164.342 50.5674 -66.9585 -62.4977 2.99374 -120.226 -47.4243 -80.922 PRESSAVG: 4037400 -33.5152 26.782 -18.9495 26.782 62.9224 11.7703 -18.9495 11.7703 -3.60204 GPRESSAVG: 4037400 -34.0122 27.2278 -18.7033 25.1749 63.5658 11.0725 -17.2585 12.032 -3.44502 TIMING: 4037400 CPU: 11733.6, 0.00290037/step Wall: 11733.6, 0.00290037/step, 0.775528 hours remaining, 209.324219 MB of memory in use. ENERGY: 4037400 726.2576 2115.3129 1951.2490 110.5877 -206239.7704 17683.5085 0.0000 0.0000 34217.5491 -149435.3055 298.8304 -183652.8546 -149342.1251 298.0890 -131.9514 -103.4065 558338.3900 8.6017 8.7029 PRESSURE: 4037600 -104.636 66.8874 11.5506 66.8861 11.3311 55.1739 11.5503 55.1738 -92.4832 GPRESSURE: 4037600 -122.787 85.3922 -0.35666 69.509 68.9064 30.4387 20.1709 79.6162 -42.7423 PRESSAVG: 4037600 -79.6803 53.0602 -64.6062 53.0602 100.093 17.7585 -64.6062 17.7585 0.188628 GPRESSAVG: 4037600 -79.9735 53.4167 -64.3842 53.488 98.1605 17.3294 -66.7458 17.8935 1.77715 TIMING: 4037600 CPU: 11734.2, 0.00288963/step Wall: 11734.2, 0.00288963/step, 0.772495 hours remaining, 209.324219 MB of memory in use. ENERGY: 4037600 800.4942 2149.5330 1909.9153 107.7744 -206570.8094 17971.7793 0.0000 0.0000 34246.7245 -149384.5886 299.0852 -183631.3131 -149286.9746 298.4989 -61.9292 -32.2076 558201.1147 6.8671 6.6547 PRESSURE: 4037800 -126.164 -103.797 35.558 -103.798 2.6824 54.8209 35.5584 54.8234 122.565 GPRESSURE: 4037800 -43.5083 -118.521 -3.01473 -43.4713 13.9907 58.1578 28.3456 -12.2597 128.089 PRESSAVG: 4037800 -61.464 79.713 -60.7755 79.7129 15.5333 57.8841 -60.7755 57.8841 10.4155 GPRESSAVG: 4037800 -61.4756 79.7225 -60.3513 80.577 17.7515 54.7063 -60.7714 56.5225 8.72772 TIMING: 4037800 CPU: 11734.8, 0.00289934/step Wall: 11734.8, 0.00289934/step, 0.77493 hours remaining, 209.324219 MB of memory in use. ENERGY: 4037800 758.1685 2134.0363 1975.4085 112.5793 -206527.7002 17882.8905 0.0000 0.0000 34344.5669 -149320.0501 299.9396 -183664.6170 -149229.0549 299.0976 -0.3057 32.8572 557771.1260 -11.8384 -11.6655 PRESSURE: 4038000 30.1469 1.60577 -10.6762 1.60549 159.951 75.3709 -10.6762 75.3707 33.36 GPRESSURE: 4038000 88.4111 8.09703 -81.6895 74.5874 156.674 116.992 50.6114 45.8155 77.7051 PRESSAVG: 4038000 -51.2388 0.0627119 -26.412 0.0627009 99.8638 29.0484 -26.412 29.0484 -22.8789 GPRESSAVG: 4038000 -51.6174 0.660088 -26.9088 -0.0143634 99.2856 29.6726 -25.8936 32.1074 -22.2303 TIMING: 4038000 CPU: 11735.4, 0.00292688/step Wall: 11735.4, 0.00292688/step, 0.782128 hours remaining, 209.324219 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: 4038000 772.2021 2101.6416 1945.0044 115.9651 -206646.9164 18065.2929 0.0000 0.0000 34136.4345 -149510.3759 298.1220 -183646.8104 -149410.7999 298.7188 74.4858 107.5968 558203.0729 8.5820 8.4793 PRESSURE: 4038200 25.4551 -141.135 -63.0367 -141.135 30.3983 112.838 -63.0384 112.839 101.563 GPRESSURE: 4038200 48.8277 -116.614 -50.0046 -50.8842 28.8425 75.5431 -51.0624 112.113 173.33 PRESSAVG: 4038200 -45.7312 -15.5111 -24.1126 -15.511 -14.9817 41.9974 -24.1126 41.9974 62.7473 GPRESSAVG: 4038200 -43.7108 -15.2096 -24.0732 -16.3876 -16.4752 43.8463 -23.5947 39.2201 62.1777 TIMING: 4038200 CPU: 11736, 0.00289168/step Wall: 11736, 0.00289168/step, 0.772559 hours remaining, 209.324219 MB of memory in use. ENERGY: 4038200 727.8012 2118.2362 1955.9972 103.3477 -206672.2812 18201.8442 0.0000 0.0000 34020.6082 -149544.4465 297.1104 -183565.0548 -149449.7852 298.5376 52.4721 83.6666 558034.2812 0.6781 0.6639 PRESSURE: 4038400 -148.201 25.0968 30.4118 25.097 209.008 -18.3566 30.4123 -18.3553 165.659 GPRESSURE: 4038400 -59.305 1.09299 -5.68247 9.03607 218.327 13.2784 115.579 -117.03 168.765 PRESSAVG: 4038400 -23.2725 -20.472 -72.5172 -20.472 68.8026 45.4516 -72.5172 45.4516 -32.63 GPRESSAVG: 4038400 -25.492 -22.2236 -71.7121 -22.587 70.4725 43.9086 -73.2391 45.4329 -32.1574 TIMING: 4038400 CPU: 11736.5, 0.00289226/step Wall: 11736.5, 0.00289226/step, 0.772555 hours remaining, 209.558594 MB of memory in use. ENERGY: 4038400 718.0078 2028.2286 1988.2314 115.4050 -206804.4508 18245.7059 0.0000 0.0000 34178.9046 -149529.9676 298.4929 -183708.8722 -149437.5959 298.6910 75.4887 109.2625 558830.2294 4.3000 4.2743 PRESSURE: 4038600 34.2796 -165.749 -156.066 -165.747 183.176 -1.81153 -156.067 -1.81051 -102.549 GPRESSURE: 4038600 107.789 -71.5189 -180.359 -180.291 171.407 37.8978 -235.369 20.8447 -74.4323 PRESSAVG: 4038600 -9.25799 -55.6987 -68.7847 -55.6988 -17.427 18.2062 -68.7846 18.2062 59.418 GPRESSAVG: 4038600 -8.68854 -53.7251 -70.2352 -54.2205 -17.9075 18.9964 -68.5817 18.2624 59.2263 TIMING: 4038600 CPU: 11737.1, 0.00288259/step Wall: 11737.1, 0.0028826/step, 0.769813 hours remaining, 209.558594 MB of memory in use. ENERGY: 4038600 748.9217 2110.5718 1963.4281 116.8049 -206548.5434 18036.2767 0.0000 0.0000 34114.4330 -149458.1072 297.9298 -183572.5402 -149362.7129 298.5167 38.3024 68.2548 557688.5250 10.9110 10.8767 PRESSURE: 4038800 -10.5002 119.569 -75.2462 119.569 -147.613 7.22521 -75.2468 7.22514 -116.347 GPRESSURE: 4038800 -5.54024 181.557 19.8343 49.134 -107.063 -16.2869 -155.63 48.333 -79.3685 PRESSAVG: 4038800 -3.10053 7.73381 -110.007 7.73383 -9.14707 40.3962 -110.007 40.3961 34.0982 GPRESSAVG: 4038800 -3.69366 5.62844 -108.503 9.12084 -8.44191 40.3216 -111.063 40.8868 33.5487 TIMING: 4038800 CPU: 11737.7, 0.00289223/step Wall: 11737.7, 0.00289223/step, 0.772226 hours remaining, 209.558594 MB of memory in use. ENERGY: 4038800 776.6511 2110.8898 1976.9625 110.0407 -206518.1543 18020.6077 0.0000 0.0000 34102.3167 -149420.6858 297.8240 -183523.0025 -149330.6977 298.1759 -91.4868 -63.9907 558153.8962 7.2835 7.1377 PRESSURE: 4039000 54.0564 -51.2682 36.7357 -51.2694 113.382 -107.79 36.737 -107.79 105.933 GPRESSURE: 4039000 98.2075 -56.6101 6.66203 -17.4262 179.972 -196.784 -58.3935 -37.4026 93.2854 PRESSAVG: 4039000 -28.259 55.7895 -29.2237 55.7895 4.9264 -7.08017 -29.2238 -7.08012 5.74234 GPRESSAVG: 4039000 -27.6882 56.5492 -30.6128 54.0144 4.13697 -8.19385 -28.4142 -6.85506 6.04389 TIMING: 4039000 CPU: 11738.3, 0.0028897/step Wall: 11738.3, 0.0028897/step, 0.77139 hours remaining, 209.558594 MB of memory in use. ENERGY: 4039000 732.4351 2156.8844 1968.8136 110.1326 -206276.4067 17934.7674 0.0000 0.0000 34079.3831 -149293.9905 297.6237 -183373.3736 -149187.2288 298.6847 91.1239 123.8215 558375.2277 -5.8634 -5.8358 PRESSURE: 4039200 -262.452 28.8576 24.7588 28.8576 106.211 20.5993 24.7602 20.6017 -196.278 GPRESSURE: 4039200 -248.097 10.7537 55.9736 4.00848 112.308 91.6438 -10.7021 -47.5439 -132.488 PRESSAVG: 4039200 -8.52043 12.8683 -13.8396 12.8683 -6.0455 -58.0944 -13.8395 -58.0943 -52.4021 GPRESSAVG: 4039200 -8.31274 12.8576 -13.1402 14.5254 -6.1785 -58.0236 -14.9348 -59.0285 -51.867 TIMING: 4039200 CPU: 11738.9, 0.00290858/step Wall: 11738.9, 0.00290858/step, 0.776268 hours remaining, 209.558594 MB of memory in use. ENERGY: 4039200 739.8268 2105.0144 1944.5420 114.3904 -206382.2654 17870.8550 0.0000 0.0000 34282.1123 -149325.5245 299.3942 -183607.6368 -149228.9596 298.8636 -117.5064 -89.4257 557613.7013 -22.3227 -22.1194 PRESSURE: 4039400 -290.893 -76.802 110.301 -76.8014 -283.029 -4.24972 110.301 -4.24823 -114.166 GPRESSURE: 4039400 -299.749 -102.722 208.715 -46.2628 -224.448 40.9016 151.432 -46.1522 -73.4026 PRESSAVG: 4039400 -17.6617 -10.0539 -17.4857 -10.0539 25.656 5.226 -17.4858 5.22605 20.731 GPRESSAVG: 4039400 -17.2306 -9.50464 -17.8827 -9.58166 26.3376 7.13277 -15.3841 4.75494 19.5465 TIMING: 4039400 CPU: 11739.4, 0.00288469/step Wall: 11739.4, 0.00288469/step, 0.769732 hours remaining, 209.558594 MB of memory in use. ENERGY: 4039400 738.9070 2136.4260 1955.8282 108.4462 -206145.0642 17442.2298 0.0000 0.0000 34290.8015 -149472.4256 299.4701 -183763.2270 -149375.1767 299.3128 -229.3627 -199.1998 557560.5653 9.5751 9.5512 PRESSURE: 4039600 -257.153 -90.5061 2.20491 -90.5055 -127.23 197.388 2.20425 197.387 46.6491 GPRESSURE: 4039600 -225.608 -129.555 21.8221 -92.6371 -68.0947 146.218 -48.9723 247.111 68.4661 PRESSAVG: 4039600 -34.3829 -23.211 58.2142 -23.211 -26.5885 21.2928 58.2142 21.2928 38.0487 GPRESSAVG: 4039600 -34.6921 -23.1888 57.1036 -25.4198 -26.7188 19.192 58.0157 24.1136 38.8108 TIMING: 4039600 CPU: 11740, 0.00289142/step Wall: 11740, 0.00289142/step, 0.771368 hours remaining, 209.558594 MB of memory in use. ENERGY: 4039600 738.4823 2072.3184 1985.8671 89.2151 -205852.1169 17478.4073 0.0000 0.0000 34213.2080 -149274.6186 298.7925 -183487.8266 -149183.7717 298.7745 -112.5777 -75.0788 556529.9694 -7.6409 -7.5333 PRESSURE: 4039800 -72.3946 53.6468 -9.28136 53.6465 -41.6582 14.5099 -9.2821 14.5098 -300.89 GPRESSURE: 4039800 -91.2224 36.2247 -14.6907 74.8829 1.98269 -80.3352 -70.9028 65.8271 -231.715 PRESSAVG: 4039800 -33.8148 -25.6811 55.0104 -25.6811 20.2083 -3.26722 55.0104 -3.26712 -43.5977 GPRESSAVG: 4039800 -32.9312 -25.0826 59.0359 -25.9011 19.8065 -3.33726 51.2075 -4.85844 -43.8545 TIMING: 4039800 CPU: 11740.6, 0.00289381/step Wall: 11740.6, 0.00289381/step, 0.771844 hours remaining, 209.558594 MB of memory in use. ENERGY: 4039800 731.9592 2086.3086 1964.3396 114.4823 -206084.6945 17649.2035 0.0000 0.0000 34243.2068 -149295.1944 299.0544 -183538.4012 -149203.2828 298.8891 -138.3143 -106.9849 558959.0026 -19.0681 -18.9930 PRESSURE: 4040000 110.743 -24.5781 155.233 -24.578 -128.599 -47.669 155.232 -47.6695 14.5805 GPRESSURE: 4040000 175.008 -7.3829 178.942 -131.717 -188.097 -33.4785 136.757 -69.4299 97.3195 PRESSAVG: 4040000 7.05104 -4.66233 -28.8484 -4.66234 -29.7171 -40.1831 -28.8484 -40.1831 19.6951 GPRESSAVG: 4040000 6.07612 -5.05157 -30.7787 -6.58289 -28.4063 -39.4139 -25.9422 -41.0796 19.462 TIMING: 4040000 CPU: 11741.2, 0.00289707/step Wall: 11741.2, 0.00289707/step, 0.772553 hours remaining, 209.558594 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: 4040000 745.2229 2071.9819 1954.8903 113.8224 -206182.5208 17809.8670 0.0000 0.0000 34101.9411 -149384.7953 297.8207 -183486.7363 -149289.8814 298.4988 -1.0919 28.0768 558100.7529 -0.9903 -0.9561 PRESSURE: 4040200 198.384 161.684 154.054 161.684 -141.191 -144.875 154.053 -144.875 -56.227 GPRESSURE: 4040200 212.673 185.113 153.221 91.8182 -128.434 -229.572 172.101 -114.928 -0.318083 PRESSAVG: 4040200 98.4346 13.9008 28.5949 13.9009 -14.5965 -71.633 28.5949 -71.633 -25.5468 GPRESSAVG: 4040200 98.866 13.9244 30.3101 15.1578 -15.688 -72.6337 28.3532 -70.9035 -24.8779 TIMING: 4040200 CPU: 11741.8, 0.00290891/step Wall: 11741.8, 0.00290891/step, 0.775548 hours remaining, 209.558594 MB of memory in use. ENERGY: 4040200 732.2007 2090.2251 1944.6332 102.4202 -206258.1296 17885.4656 0.0000 0.0000 34246.0348 -149257.1500 299.0791 -183503.1848 -149157.1934 298.8029 0.3221 27.9736 558996.5363 19.4304 19.4334 LDB: ============= START OF LOAD BALANCING ============== 11745.2 LDB: ============== END OF LOAD BALANCING =============== 11745.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11745.2 LDB: ============= START OF LOAD BALANCING ============== 11745.5 LDB: Largest compute 4848 load 0.029142 is 24.7% of average load 0.117753 LDB: Average compute 0.001737 is 1.5% of average load 0.117753 LDB: TIME 11745.5 LOAD: AVG 0.117753 MAX 0.18084 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.523 MB LDB: TIME 11745.5 LOAD: AVG 0.117753 MAX 0.18084 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.527 MB LDB: TIME 11745.5 LOAD: AVG 0.117753 MAX 0.18084 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11745.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11745.5 PRESSURE: 4040400 -234.226 16.6104 85.5064 16.6107 -91.0428 -44.1662 85.5058 -44.1664 138.341 GPRESSURE: 4040400 -172.332 111.197 67.3429 20.4955 -29.6438 -64.3857 156.414 5.24269 107.105 PRESSAVG: 4040400 -10.5769 15.6344 39.1869 15.6344 18.9046 3.66408 39.1869 3.66399 -34.4615 GPRESSAVG: 4040400 -9.87734 14.4117 36.3455 17.7647 18.903 4.64908 41.8433 2.1847 -34.9146 TIMING: 4040400 CPU: 11742.3, 0.00295322/step Wall: 11742.3, 0.00295322/step, 0.787198 hours remaining, 206.074219 MB of memory in use. ENERGY: 4040400 780.9779 2046.6900 1940.1478 104.2438 -206221.0711 17906.6759 0.0000 0.0000 34310.4269 -149131.9089 299.6415 -183442.3357 -149037.7406 299.5710 -62.3093 -31.6234 559123.5499 -8.7112 -8.6297 PRESSURE: 4040600 74.6276 158.869 -47.7933 158.868 17.2191 59.7234 -47.7938 59.7231 60.7885 GPRESSURE: 4040600 73.4959 130.919 -68.9794 152.074 88.0962 76.8436 -87.4863 53.2736 87.245 PRESSAVG: 4040600 114.493 26.621 -2.82192 26.6211 -61.3807 8.37831 -2.82188 8.37832 -40.9806 GPRESSAVG: 4040600 114.423 25.2874 -1.72107 27.8576 -61.7437 8.61403 -3.52442 9.49835 -40.5253 TIMING: 4040600 CPU: 11742.9, 0.00292877/step Wall: 11742.9, 0.00292877/step, 0.780517 hours remaining, 206.074219 MB of memory in use. ENERGY: 4040600 724.2964 2067.0202 1945.1398 117.4388 -206485.9893 18077.5784 0.0000 0.0000 34314.2269 -149240.2888 299.6747 -183554.5157 -149143.9744 298.6174 50.8784 82.9457 558017.0870 4.0440 4.0512 PRESSURE: 4040800 142.716 20.8455 25.279 20.8455 34.1573 -110.053 25.2786 -110.052 6.15846 GPRESSURE: 4040800 232.592 -48.4945 96.9443 120.698 70.8057 -121.406 39.4455 -127.838 -13.5295 PRESSAVG: 4040800 62.49 -30.7118 -24.2512 -30.7117 -1.23828 10.504 -24.2511 10.504 -13.4564 GPRESSAVG: 4040800 62.5897 -30.0552 -22.7452 -30.6188 -0.461119 10.0601 -26.1387 10.1379 -14.1226 TIMING: 4040800 CPU: 11743.5, 0.0029061/step Wall: 11743.5, 0.0029061/step, 0.774314 hours remaining, 206.074219 MB of memory in use. ENERGY: 4040800 721.1804 2139.4734 1949.1955 109.5286 -206343.3121 17891.1847 0.0000 0.0000 34280.1301 -149252.6194 299.3769 -183532.7495 -149154.6364 298.8806 61.0107 96.6226 557719.2708 15.9318 16.0020 PRESSURE: 4041000 39.6002 -11.6471 -116.408 -11.6455 -256.181 -25.5988 -116.408 -25.598 -253.086 GPRESSURE: 4041000 43.091 -21.5723 -78.8255 24.9058 -218.881 -85.6423 -10.4015 24.9094 -205.571 PRESSAVG: 4041000 16.9383 -2.40156 -8.10979 -2.40154 -46.1995 0.418477 -8.10979 0.418478 14.8915 GPRESSAVG: 4041000 16.989 -2.90436 -9.08339 -3.9526 -46.5311 -1.16646 -8.08419 1.11297 15.3781 TIMING: 4041000 CPU: 11744.1, 0.00290801/step Wall: 11744.1, 0.00290801/step, 0.77466 hours remaining, 206.074219 MB of memory in use. ENERGY: 4041000 755.9303 2087.1338 1965.2730 105.5642 -205953.6512 17603.0475 0.0000 0.0000 34194.3407 -149242.3616 298.6277 -183436.7023 -149152.4208 298.9182 -156.5557 -127.1203 558737.4969 -4.7899 -4.7213 PRESSURE: 4041200 -45.5981 -99.4789 -82.7321 -99.479 33.369 -46.2054 -82.7324 -46.2065 83.9536 GPRESSURE: 4041200 -35.042 12.583 -11.7052 -159.286 102.099 -41.6519 -43.8289 14.6968 101.863 PRESSAVG: 4041200 -1.6585 14.5284 -51.3575 14.5284 -84.88 -18.6221 -51.3575 -18.6222 37.8313 GPRESSAVG: 4041200 -2.51051 16.9411 -52.0472 14.2949 -83.8613 -17.7324 -50.0202 -19.0277 37.8423 TIMING: 4041200 CPU: 11744.7, 0.00290488/step Wall: 11744.7, 0.00290488/step, 0.773668 hours remaining, 206.074219 MB of memory in use. ENERGY: 4041200 763.5895 2080.6608 1958.7977 109.4076 -206352.9990 18049.8120 0.0000 0.0000 34112.6234 -149278.1080 297.9140 -183390.7314 -149189.2306 299.3519 23.9082 56.3065 558934.8844 -16.2357 -16.1765 PRESSURE: 4041400 311.894 -157.107 157.827 -157.109 -28.9989 -33.7977 157.827 -33.7996 -90.0896 GPRESSURE: 4041400 255.591 -114.244 180.1 -273.384 -2.30332 31.6819 181.011 -93.0019 26.2545 PRESSAVG: 4041400 85.3595 -4.10384 5.94052 -4.10378 -14.383 17.9105 5.94056 17.9105 -31.6121 GPRESSAVG: 4041400 84.4985 -4.94301 5.98475 -4.65215 -15.2733 18.437 5.52116 18.1215 -30.0703 TIMING: 4041400 CPU: 11745.3, 0.00288682/step Wall: 11745.3, 0.00288682/step, 0.768695 hours remaining, 206.074219 MB of memory in use. ENERGY: 4041400 756.6782 2076.8775 1984.8590 131.3121 -206587.3671 18150.3310 0.0000 0.0000 34069.8018 -149417.5076 297.5401 -183487.3094 -149322.9706 299.0213 64.2684 93.1808 558508.0988 13.1214 13.0516 PRESSURE: 4041600 50.8797 -122.339 -105.563 -122.337 -138.511 183.551 -105.562 183.554 93.8502 GPRESSURE: 4041600 139.315 -11.6692 -81.2866 -199.847 -125.746 134.026 -149.87 205.25 101.226 PRESSAVG: 4041600 12.4392 -23.1488 -70.1109 -23.1489 -14.4326 -10.3315 -70.1109 -10.3315 43.6087 GPRESSAVG: 4041600 13.1788 -22.6379 -71.0316 -22.2398 -14.1493 -11.2446 -69.6156 -10.8838 42.4866 TIMING: 4041600 CPU: 11745.8, 0.00289074/step Wall: 11745.8, 0.00289074/step, 0.769579 hours remaining, 206.074219 MB of memory in use. ENERGY: 4041600 740.0658 2102.8768 1951.7855 117.7487 -206535.1642 18050.4973 0.0000 0.0000 34140.9589 -149431.2313 298.1615 -183572.1901 -149328.1925 299.0273 2.0730 38.2650 558371.2297 13.8718 13.8387 PRESSURE: 4041800 -66.3499 105.481 -75.2205 105.48 18.8271 266.776 -75.2209 266.777 -71.2328 GPRESSURE: 4041800 -78.8635 121.199 -91.1659 140.128 4.09691 234.717 -26.2375 315.755 45.5083 PRESSAVG: 4041800 43.1622 -9.95574 1.20378 -9.95574 -2.37904 40.623 1.2038 40.623 -39.344 GPRESSAVG: 4041800 42.8878 -10.0984 3.30594 -9.6257 -3.00014 42.6775 0.518946 41.0115 -38.37 TIMING: 4041800 CPU: 11746.4, 0.00290872/step Wall: 11746.4, 0.00290872/step, 0.774204 hours remaining, 206.074219 MB of memory in use. ENERGY: 4041800 701.9261 2074.4487 1944.5545 117.1554 -206467.3558 17946.6233 0.0000 0.0000 34300.2655 -149382.3823 299.5527 -183682.6477 -149286.9923 298.7612 -39.5852 -9.7528 558012.4014 0.4797 0.5059 PRESSURE: 4042000 11.1833 231.319 323.328 231.319 -147.115 60.8026 323.328 60.8031 159.777 GPRESSURE: 4042000 56.3087 189.403 339.78 196.683 -102.299 -65.2782 279.948 115.809 165.18 PRESSAVG: 4042000 40.5297 67.0372 30.1276 67.0373 -36.6369 5.872 30.1277 5.87198 -10.0081 GPRESSAVG: 4042000 40.6206 66.4221 26.984 66.1392 -36.879 5.86848 29.6737 5.01673 -9.71443 TIMING: 4042000 CPU: 11747, 0.00291479/step Wall: 11747, 0.00291479/step, 0.775659 hours remaining, 206.074219 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: 4042000 717.1926 2077.9470 1939.8761 99.4663 -206072.7956 17716.7373 0.0000 0.0000 34167.1494 -149354.4270 298.3902 -183521.5763 -149255.8990 299.4834 7.9483 39.7302 555851.3889 -2.0384 -1.9909 PRESSURE: 4042200 -18.3174 -36.5 109.334 -36.4995 -126.271 67.3479 109.333 67.3493 -326.436 GPRESSURE: 4042200 -6.39016 -41.8362 152.898 -10.4862 -70.317 79.0373 96.8926 48.7224 -304.168 PRESSAVG: 4042200 18.2987 49.4726 92.2359 49.4727 -43.3401 12.0813 92.2359 12.0813 40.067 GPRESSAVG: 4042200 18.3486 48.1544 93.6846 49.2312 -43.9611 11.2434 92.9457 12.3336 41.2246 TIMING: 4042200 CPU: 11747.6, 0.00291393/step Wall: 11747.6, 0.00291393/step, 0.775266 hours remaining, 206.074219 MB of memory in use. ENERGY: 4042200 761.1039 2091.9126 1971.1701 113.8123 -205968.1504 17624.9683 0.0000 0.0000 34176.5409 -149228.6423 298.4722 -183405.1832 -149135.3951 299.7109 -157.0080 -126.9583 558279.3236 5.0085 5.2040 PRESSURE: 4042400 -103.85 182.906 166.206 182.905 68.9213 -138.456 166.207 -138.455 -92.1584 GPRESSURE: 4042400 -78.1044 174.89 136.951 144.131 103.983 -218.743 183.596 -116.978 -51.9078 PRESSAVG: 4042400 7.15448 66.3846 41.8329 66.3846 61.4142 8.68813 41.8329 8.68794 -76.5583 GPRESSAVG: 4042400 7.45343 67.8869 42.3062 66.2196 62.7003 9.81969 42.1409 8.49406 -78.2956 TIMING: 4042400 CPU: 11748.2, 0.00292489/step Wall: 11748.2, 0.00292489/step, 0.778021 hours remaining, 206.074219 MB of memory in use. ENERGY: 4042400 707.6490 2149.5858 1947.6207 119.5968 -206214.8791 17702.0685 0.0000 0.0000 34290.7372 -149297.6211 299.4695 -183588.3583 -149199.0074 299.0099 -42.3623 -8.6764 557507.5930 -2.6632 -2.7140 PRESSURE: 4042600 -131.849 -65.4794 13.2265 -65.4791 -169.467 -160.446 13.2257 -160.447 -112.993 GPRESSURE: 4042600 -83.931 -113.371 12.5191 -37.9797 -164.404 -188.513 9.75063 -97.3559 -75.9302 PRESSAVG: 4042600 -37.7197 11.8441 75.0048 11.844 64.5535 -46.0384 75.0049 -46.0384 -30.9918 GPRESSAVG: 4042600 -37.3221 12.1265 74.284 13.2305 64.5621 -46.4475 72.9803 -45.6096 -31.9851 TIMING: 4042600 CPU: 11748.7, 0.00288483/step Wall: 11748.7, 0.00288483/step, 0.767205 hours remaining, 206.074219 MB of memory in use. ENERGY: 4042600 773.1100 2146.7543 1924.7104 107.9826 -206269.9096 17895.4539 0.0000 0.0000 34142.9887 -149278.9097 298.1792 -183421.8983 -149185.1619 298.9945 -138.1030 -108.0883 559132.6823 -1.3860 -1.5817 PRESSURE: 4042800 259.509 135.027 97.2219 135.026 105.407 -83.1412 97.2227 -83.1418 -134.857 GPRESSURE: 4042800 316.982 196.937 59.5242 58.4595 135.443 -1.38667 95.0009 -135.626 -117.068 PRESSAVG: 4042800 27.2254 -1.4091 21.27 -1.40911 41.5451 -53.1182 21.2699 -53.1183 -40.738 GPRESSAVG: 4042800 27.6412 -1.62736 18.8072 -3.53277 41.8918 -54.391 24.3483 -51.902 -41.6378 TIMING: 4042800 CPU: 11749.3, 0.00290265/step Wall: 11749.3, 0.00290265/step, 0.771783 hours remaining, 206.074219 MB of memory in use. ENERGY: 4042800 721.0970 2081.5173 1937.5436 104.5760 -206671.9545 18071.4820 0.0000 0.0000 34304.2670 -149451.4717 299.5877 -183755.7387 -149355.1698 299.5600 76.6863 111.7857 557142.4222 9.3442 9.2984 PRESSURE: 4043000 27.9658 222.191 -53.8109 222.191 60.8049 -55.4848 -53.811 -55.4859 -313.144 GPRESSURE: 4043000 48.7621 194.431 -85.5215 167.389 116.633 -86.3134 -84.8105 -1.4633 -281.426 PRESSAVG: 4043000 61.6624 50.7278 -24.5539 50.7277 -38.9728 8.16202 -24.554 8.16205 -6.78672 GPRESSAVG: 4043000 61.2136 51.7307 -22.4829 52.4287 -40.618 9.36659 -25.7956 10.0606 -4.74066 TIMING: 4043000 CPU: 11749.9, 0.00290518/step Wall: 11749.9, 0.00290518/step, 0.772294 hours remaining, 206.074219 MB of memory in use. ENERGY: 4043000 753.7173 2082.1410 1938.9542 114.6841 -206423.8620 17824.6696 0.0000 0.0000 34440.0033 -149269.6925 300.7731 -183709.6958 -149173.4379 299.6864 -74.7912 -38.6771 557945.3721 5.3010 5.2850 PRESSURE: 4043200 -27.8871 59.1948 93.3448 59.1945 12.8917 16.5128 93.3442 16.5131 172.048 GPRESSURE: 4043200 57.1219 37.9557 138.146 0.122099 6.84909 19.1137 96.8798 -20.2605 202.8 PRESSAVG: 4043200 -6.57729 -11.0734 -9.2396 -11.0734 15.8635 -93.3306 -9.23966 -93.3306 -23.124 GPRESSAVG: 4043200 -7.54651 -13.7427 -7.98667 -11.8887 17.3071 -93.2362 -9.5072 -97.107 -23.4478 TIMING: 4043200 CPU: 11750.5, 0.0029206/step Wall: 11750.5, 0.0029206/step, 0.77623 hours remaining, 206.074219 MB of memory in use. ENERGY: 4043200 728.4951 2106.8332 1947.5804 119.8317 -206411.8025 18015.3695 0.0000 0.0000 34063.7374 -149429.9553 297.4871 -183493.6927 -149339.9400 299.4787 52.3507 88.9236 558771.5726 -4.6126 -4.5624 PRESSURE: 4043400 -94.0485 94.6213 -43.9701 94.6221 -294.781 -79.9136 -43.9696 -79.914 -120.319 GPRESSURE: 4043400 -51.4235 179.272 4.98654 122.322 -276.35 -66.2186 -79.0146 -54.428 -88.9804 PRESSAVG: 4043400 49.6463 43.3745 -20.3082 43.3745 -55.5503 -41.3545 -20.3082 -41.3545 24.9386 GPRESSAVG: 4043400 50.7034 44.8439 -20.7913 43.4318 -56.3809 -42.9571 -21.0838 -38.3008 24.8198 TIMING: 4043400 CPU: 11751.1, 0.00293938/step Wall: 11751.1, 0.00293938/step, 0.78106 hours remaining, 206.074219 MB of memory in use. ENERGY: 4043400 723.7324 2065.0673 1985.1802 116.6154 -206267.3879 17757.6434 0.0000 0.0000 34127.3787 -149491.7704 298.0429 -183619.1491 -149401.1987 298.7715 -169.7161 -138.9180 560800.6637 6.3449 6.3808 PRESSURE: 4043600 -80.8697 181.573 156.879 181.572 97.8358 -33.8307 156.877 -33.8311 -15.3258 GPRESSURE: 4043600 18.183 87.9216 136.268 153.954 114.425 17.1271 89.2373 -7.41923 -44.5525 PRESSAVG: 4043600 20.2876 30.7777 -33.8085 30.7776 -2.75452 -38.4856 -33.8084 -38.4857 -30.4378 GPRESSAVG: 4043600 19.6085 31.3138 -34.8845 33.9909 -3.35539 -38.2253 -31.8568 -39.7896 -28.777 TIMING: 4043600 CPU: 11751.7, 0.00289178/step Wall: 11751.7, 0.00289178/step, 0.76825 hours remaining, 206.074219 MB of memory in use. ENERGY: 4043600 788.2113 2095.2574 1960.5309 120.0699 -206752.5830 18083.5341 0.0000 0.0000 34175.1109 -149529.8684 298.4597 -183704.9793 -149438.0910 297.8198 0.5467 29.3518 558259.3704 -4.3016 -4.1746 PRESSURE: 4043800 0.55471 14.9379 -42.9049 14.938 130.084 89.5317 -42.9041 89.5306 30.9731 GPRESSURE: 4043800 86.3814 -80.3984 -61.6302 60.2261 134.83 69.5543 -120.82 95.4282 27.1664 PRESSAVG: 4043800 74.3333 18.9506 68.5056 18.9505 55.4159 -63.5543 68.5055 -63.5543 -95.6727 GPRESSAVG: 4043800 75.0168 19.0783 69.1782 17.1808 57.3237 -64.1 66.6499 -64.1291 -97.9311 TIMING: 4043800 CPU: 11752.2, 0.00289629/step Wall: 11752.2, 0.00289629/step, 0.769288 hours remaining, 206.074219 MB of memory in use. ENERGY: 4043800 784.2253 2143.9978 1950.7294 118.7674 -206816.0912 18238.7408 0.0000 0.0000 34153.7206 -149425.9099 298.2729 -183579.6305 -149333.3155 297.5837 53.8706 82.7927 557906.3434 11.3588 11.4698 PRESSURE: 4044000 310.037 143.798 96.3647 143.798 59.2698 -72.2773 96.3642 -72.2768 -104.205 GPRESSURE: 4044000 328.311 155.449 99.2593 213.936 72.4345 -54.3434 126.818 -64.8032 -38.3614 PRESSAVG: 4044000 24.0336 39.0027 81.7601 39.0027 77.3555 -4.99692 81.7601 -4.99692 -71.4643 GPRESSAVG: 4044000 23.6895 38.9431 80.5733 38.2125 77.8413 -3.93628 84.3705 -3.39848 -71.8254 TIMING: 4044000 CPU: 11752.8, 0.00289579/step Wall: 11752.8, 0.00289579/step, 0.768994 hours remaining, 206.074219 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: 4044000 797.0328 2081.2110 1949.8139 117.3144 -206844.8804 18310.4950 0.0000 0.0000 34235.3862 -149353.6272 298.9861 -183589.0133 -149257.7344 298.6699 88.3673 120.7946 558647.7585 9.9749 9.9018 PRESSURE: 4044200 -85.3552 -162.784 -70.4055 -162.785 -68.6027 6.2586 -70.4062 6.25684 -36.3653 GPRESSURE: 4044200 -31.1564 -192.107 -73.1924 -164.782 -22.1881 12.1231 -72.0096 71.3794 -25.3273 PRESSAVG: 4044200 -16.8211 26.6285 16.3595 26.6285 23.8082 30.8629 16.3594 30.8628 -32.1879 GPRESSAVG: 4044200 -16.5856 22.7217 17.5501 28.6276 22.6553 29.9994 16.312 31.3028 -31.2593 TIMING: 4044200 CPU: 11753.4, 0.00290607/step Wall: 11753.4, 0.00290607/step, 0.771562 hours remaining, 206.074219 MB of memory in use. ENERGY: 4044200 733.1344 2081.0307 1929.9182 119.2333 -206260.3073 17732.6565 0.0000 0.0000 34432.3112 -149232.0231 300.7059 -183664.3343 -149133.4095 298.7046 -63.4411 -26.2239 558176.4580 -8.4003 -8.3966 LDB: ============= START OF LOAD BALANCING ============== 11756.9 LDB: ============== END OF LOAD BALANCING =============== 11756.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11756.9 LDB: ============= START OF LOAD BALANCING ============== 11757.2 LDB: Largest compute 4848 load 0.030476 is 25.9% of average load 0.117832 LDB: Average compute 0.001735 is 1.5% of average load 0.117832 LDB: TIME 11757.2 LOAD: AVG 0.117832 MAX 0.181453 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 11757.2 LOAD: AVG 0.117832 MAX 0.181453 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: TIME 11757.2 LOAD: AVG 0.117832 MAX 0.181453 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 11757.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11757.2 PRESSURE: 4044400 -272.269 135.23 37.6664 135.228 2.52059 -104.7 37.6672 -104.701 -92.7608 GPRESSURE: 4044400 -271.025 4.69751 37.2288 112.064 53.724 -20.8781 81.6658 -123.084 -58.6584 PRESSAVG: 4044400 -32.9635 47.9411 14.8536 47.941 21.326 3.96078 14.8537 3.96083 -36.2011 GPRESSAVG: 4044400 -32.9799 51.0106 13.7405 47.2307 22.63 5.92098 12.8835 3.64579 -37.6472 TIMING: 4044400 CPU: 11754, 0.00296242/step Wall: 11754, 0.00296242/step, 0.786359 hours remaining, 207.222656 MB of memory in use. ENERGY: 4044400 749.4181 2127.8044 1953.0757 103.1886 -205888.4641 17548.4633 0.0000 0.0000 34017.1014 -149389.4127 297.0798 -183406.5141 -149289.9537 298.7818 -120.8364 -91.9864 557640.0375 -15.9462 -15.9990 PRESSURE: 4044600 -216.889 128.555 28.1366 128.554 141.884 -5.10713 28.1362 -5.107 191.32 GPRESSURE: 4044600 -154 89.9402 -4.40102 175.941 151.085 -104.781 -14.0504 126.095 205.689 PRESSAVG: 4044600 1.35336 47.3234 -3.86159 47.3234 55.3207 -39.2141 -3.86159 -39.2141 -46.5153 GPRESSAVG: 4044600 1.42805 48.2065 -3.31877 46.8587 53.5221 -41.6839 -4.2779 -40.0079 -44.8734 TIMING: 4044600 CPU: 11754.6, 0.00290616/step Wall: 11754.6, 0.00290616/step, 0.771262 hours remaining, 207.425781 MB of memory in use. ENERGY: 4044600 722.5442 2065.7571 1978.6073 119.2157 -206348.9409 17716.2051 0.0000 0.0000 34436.3757 -149310.2358 300.7414 -183746.6115 -149211.7437 299.1766 38.7718 67.5914 555555.1031 3.3862 3.3589 PRESSURE: 4044800 -340.73 -71.5228 113.891 -71.523 -90.2662 -255.446 113.891 -255.446 -368.155 GPRESSURE: 4044800 -343.522 -68.1008 100.827 -92.3976 -73.0777 -305.802 131.704 -217.53 -276.815 PRESSAVG: 4044800 -7.75193 -0.82916 21.0169 -0.829185 56.0214 26.942 21.0169 26.942 -65.4517 GPRESSAVG: 4044800 -7.79861 -0.0326056 19.5413 -1.2176 56.7314 26.7079 22.3415 27.8579 -65.8623 TIMING: 4044800 CPU: 11755.1, 0.00290797/step Wall: 11755.1, 0.00290797/step, 0.771582 hours remaining, 207.425781 MB of memory in use. ENERGY: 4044800 778.2436 2152.3923 1966.2712 112.1019 -205964.4410 17437.5676 0.0000 0.0000 34313.6063 -149204.2581 299.6693 -183517.8644 -149111.2770 299.1480 -266.3837 -231.1380 557155.1687 -5.7274 -5.6432 PRESSURE: 4045000 131.791 10.716 -10.9368 10.7154 91.7663 -29.0804 -10.9363 -29.0804 62.3527 GPRESSURE: 4045000 193.926 -74.1635 -15.9746 -37.8299 168.264 -48.1261 75.942 33.0392 25.6319 PRESSAVG: 4045000 19.6036 4.61409 -20.196 4.61414 33.6337 -15.1893 -20.196 -15.1892 -57.0553 GPRESSAVG: 4045000 18.1954 5.19783 -18.0197 5.0679 33.9779 -12.9465 -20.9279 -16.8689 -56.4529 TIMING: 4045000 CPU: 11755.7, 0.00289492/step Wall: 11755.7, 0.00289492/step, 0.767958 hours remaining, 207.425781 MB of memory in use. ENERGY: 4045000 765.6627 2089.1702 1985.9966 110.0705 -206234.3966 17903.1690 0.0000 0.0000 34298.4118 -149081.9159 299.5366 -183380.3276 -148983.0143 299.7681 95.3034 129.2739 554979.3814 -1.2726 -1.4265 PRESSURE: 4045200 -88.6383 -166.003 5.79513 -166.004 227.821 131.23 5.7942 131.229 174.905 GPRESSURE: 4045200 -78.4531 -224.566 49.1605 -104.747 205.915 128.622 44.6686 124.87 288.951 PRESSAVG: 4045200 21.1337 -15.4391 -49.1503 -15.4392 55.8697 45.3423 -49.1503 45.3424 -94.775 GPRESSAVG: 4045200 21.3887 -15.0021 -49.0214 -17.3321 56.2912 45.9444 -48.2172 47.7073 -95.8532 TIMING: 4045200 CPU: 11756.3, 0.00290679/step Wall: 11756.3, 0.00290679/step, 0.770946 hours remaining, 207.628906 MB of memory in use. ENERGY: 4045200 778.7737 2128.8220 1938.9061 93.7685 -206269.4574 17963.2843 0.0000 0.0000 34395.3480 -148970.5549 300.3831 -183365.9029 -148880.7609 300.1091 104.6960 138.8044 557104.4783 -5.9239 -6.0578 PRESSURE: 4045400 212.963 -137.85 -61.4224 -137.851 66.5234 199.586 -61.4239 199.587 -238.643 GPRESSURE: 4045400 301.757 -60.7162 -99.6521 -95.6563 36.1847 227.689 -85.7681 171.561 -186.541 PRESSAVG: 4045400 10.4751 -22.4374 -50.6506 -22.4375 13.1246 50.0637 -50.6505 50.0637 -24.8023 GPRESSAVG: 4045400 10.6096 -24.0356 -51.1155 -20.8573 11.6383 47.4966 -51.8659 49.3026 -24.0201 TIMING: 4045400 CPU: 11756.9, 0.00288958/step Wall: 11756.9, 0.00288958/step, 0.766221 hours remaining, 207.628906 MB of memory in use. ENERGY: 4045400 765.2507 2075.4021 1976.9557 112.8225 -206136.5854 17776.1524 0.0000 0.0000 34458.7022 -148971.2999 300.9364 -183430.0021 -148869.6725 300.2712 13.6145 50.4669 556875.4769 -0.4009 -0.5908 PRESSURE: 4045600 -284.533 -79.9093 -72.9509 -79.9091 -66.5181 -41.6514 -72.9517 -41.6509 207.553 GPRESSURE: 4045600 -257.445 -107.724 -24.5273 -48.5147 -6.9947 34.0648 -202.357 -50.6892 225.394 PRESSAVG: 4045600 -27.0351 4.34151 -32.2099 4.34151 70.3579 12.5887 -32.2099 12.5885 -66.7315 GPRESSAVG: 4045600 -27.2507 5.05776 -31.9859 2.87961 71.4182 14.1251 -31.6661 10.9223 -67.9406 TIMING: 4045600 CPU: 11757.5, 0.00290349/step Wall: 11757.5, 0.00290349/step, 0.769749 hours remaining, 207.628906 MB of memory in use. ENERGY: 4045600 736.2968 2104.2527 1993.3142 104.5396 -206000.5074 17669.6843 0.0000 0.0000 34311.6068 -149080.8129 299.6518 -183392.4197 -148987.0581 300.2130 -47.8327 -13.0154 557411.7330 -7.8029 -7.9244 PRESSURE: 4045800 38.1087 -139.324 11.2265 -139.325 -64.7406 82.6919 11.2252 82.6921 61.0462 GPRESSURE: 4045800 43.36 -233.816 1.76582 -45.0466 -41.6235 37.5268 4.91009 3.92298 141.819 PRESSAVG: 4045800 -14.1303 1.56068 -32.0512 1.56072 -2.19249 10.5831 -32.0512 10.5831 50.8529 GPRESSAVG: 4045800 -12.6191 1.19668 -30.9134 3.47032 -4.04823 7.53942 -32.1225 12.3254 50.6691 TIMING: 4045800 CPU: 11758, 0.00288567/step Wall: 11758, 0.00288567/step, 0.764863 hours remaining, 207.628906 MB of memory in use. ENERGY: 4045800 770.7709 2096.0405 1971.5568 122.7364 -206318.3339 17952.0969 0.0000 0.0000 34412.3292 -148992.8032 300.5314 -183405.1324 -148893.7560 300.8476 11.4714 47.8517 558167.7931 11.5100 11.3339 PRESSURE: 4046000 -1.97808 94.7707 13.6218 94.7708 0.606798 -15.3031 13.6223 -15.3022 -186.296 GPRESSURE: 4046000 15.0139 127.211 -5.30215 92.0957 49.5134 -46.022 32.1774 62.8874 -153.364 PRESSAVG: 4046000 -32.188 1.15013 -27.0725 1.15016 19.1703 19.4249 -27.0725 19.4249 -18.9434 GPRESSAVG: 4046000 -33.1639 2.22403 -29.9056 -0.159468 20.2375 19.8523 -26.4396 20.278 -18.9378 TIMING: 4046000 CPU: 11758.6, 0.00288556/step Wall: 11758.6, 0.00288556/step, 0.764673 hours remaining, 207.628906 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: 4046000 777.1958 2096.0346 1955.1356 109.9109 -206438.3301 17851.1588 0.0000 0.0000 34637.6813 -149011.2130 302.4995 -183648.8943 -148911.5698 300.5949 -62.5556 -29.6122 557059.7589 -10.6537 -10.6214 PRESSURE: 4046200 -71.5669 107.209 -103.576 107.21 118.544 36.2309 -103.577 36.2312 -221.308 GPRESSURE: 4046200 -58.9973 130.726 -81.7431 34.1217 171.45 114.504 -117.851 -21.1548 -181.92 PRESSAVG: 4046200 0.0286187 5.15329 -42.611 5.1533 38.0241 21.4448 -42.6111 21.4448 35.2466 GPRESSAVG: 4046200 -0.348732 3.45666 -40.5933 6.89358 38.8044 23.1008 -42.9067 22.8548 34.9913 TIMING: 4046200 CPU: 11759.2, 0.00287101/step Wall: 11759.2, 0.00287101/step, 0.760658 hours remaining, 207.628906 MB of memory in use. ENERGY: 4046200 756.1076 2094.7991 1945.4947 125.7443 -206103.5899 17811.1306 0.0000 0.0000 34361.1738 -149009.1398 300.0847 -183370.3136 -148907.1204 300.6859 -58.1103 -23.1557 557384.5742 24.4331 24.4823 PRESSURE: 4046400 -83.7801 8.43403 163.383 8.43379 -169.398 5.54566 163.383 5.54522 25.0487 GPRESSURE: 4046400 -29.1741 57.0088 210.091 24.5854 -147.175 64.7661 196.806 31.7479 45.6236 PRESSAVG: 4046400 -58.5782 34.9311 -20.0833 34.931 27.9035 8.46282 -20.0834 8.46279 11.119 GPRESSAVG: 4046400 -57.8984 34.9921 -20.3427 31.9606 27.2157 9.40205 -18.4872 6.45885 11.5568 TIMING: 4046400 CPU: 11759.8, 0.00287032/step Wall: 11759.8, 0.00287032/step, 0.760317 hours remaining, 207.628906 MB of memory in use. ENERGY: 4046400 758.9632 2138.4517 1941.3290 121.5512 -206154.9411 17725.9779 0.0000 0.0000 34520.9545 -148947.7136 301.4801 -183468.6681 -148847.4777 299.7359 -76.0431 -43.5752 557600.4267 -6.5186 -6.3753 PRESSURE: 4046600 133.231 -128.687 173.308 -128.686 -127.75 -197.887 173.308 -197.888 -66.3559 GPRESSURE: 4046600 154.079 -147.827 166.819 -142.556 -82.2409 -177.453 152.468 -229.095 -21.8211 PRESSAVG: 4046600 34.3328 -68.0616 47.2566 -68.0615 10.5183 29.6468 47.2566 29.6468 16.0643 GPRESSAVG: 4046600 34.2943 -69.5147 48.4022 -65.0961 10.7372 31.1955 43.3788 29.1361 16.1447 TIMING: 4046600 CPU: 11760.3, 0.00289323/step Wall: 11760.3, 0.00289323/step, 0.766224 hours remaining, 207.628906 MB of memory in use. ENERGY: 4046600 715.4631 2166.4541 1972.9374 108.9464 -206207.7436 17653.8081 0.0000 0.0000 34630.1530 -148959.9814 302.4337 -183590.1344 -148859.4142 300.9061 -20.2916 16.6724 557309.8963 20.3051 20.3921 PRESSURE: 4046800 231.336 81.465 -41.834 81.4659 258.109 160.906 -41.8335 160.906 96.0483 GPRESSURE: 4046800 264.282 88.7744 12.3754 55.2869 319.318 164.419 -17.6056 200.606 100.312 PRESSAVG: 4046800 -47.9399 -22.0593 12.8117 -22.0594 34.4304 18.1089 12.8117 18.109 -11.6113 GPRESSAVG: 4046800 -48.0921 -19.4786 11.6068 -24.1091 34.4702 15.5571 15.2475 18.533 -11.5988 TIMING: 4046800 CPU: 11760.9, 0.00289668/step Wall: 11760.9, 0.00289668/step, 0.766977 hours remaining, 207.628906 MB of memory in use. ENERGY: 4046800 753.4496 2159.0963 1937.5003 127.3126 -206495.4999 18080.2174 0.0000 0.0000 34412.1869 -149025.7368 300.5302 -183437.9237 -148926.2421 300.6695 195.1642 227.9707 556537.0732 -8.3736 -8.4069 PRESSURE: 4047000 -43.4902 8.61743 -20.6354 8.61759 -270.932 92.3426 -20.636 92.3432 -282.176 GPRESSURE: 4047000 -49.3946 54.2498 -30.9796 107.392 -218.651 141.455 -71.4886 71.5254 -223.498 PRESSAVG: 4047000 -4.19979 -2.80353 -43.6546 -2.80349 11.7825 13.6103 -43.6546 13.6101 -3.44605 GPRESSAVG: 4047000 -3.76401 -2.97261 -44.5234 -1.0156 12.0038 14.1235 -42.5327 12.6405 -4.21146 TIMING: 4047000 CPU: 11761.5, 0.00288041/step Wall: 11761.5, 0.00288041/step, 0.762509 hours remaining, 207.628906 MB of memory in use. ENERGY: 4047000 754.3631 2124.1120 1986.9900 102.7282 -206208.6216 17684.2006 0.0000 0.0000 34431.1006 -149125.1270 300.6954 -183556.2276 -149029.7904 299.7360 -198.8659 -163.8479 558317.1284 1.3789 1.3428 PRESSURE: 4047200 -162.834 77.9309 99.0269 77.9307 -0.636544 -160.774 99.0269 -160.772 73.3289 GPRESSURE: 4047200 -104.773 108.081 92.288 120.948 48.053 -89.5316 177.593 -167.912 61.2115 PRESSAVG: 4047200 -49.521 -13.1341 -30.3172 -13.1341 48.0123 -26.239 -30.3173 -26.239 5.1289 GPRESSAVG: 4047200 -49.3263 -13.2343 -27.489 -14.2868 47.9694 -23.9108 -30.7823 -26.6724 5.09718 TIMING: 4047200 CPU: 11762.1, 0.00289161/step Wall: 11762.1, 0.00289161/step, 0.765314 hours remaining, 207.628906 MB of memory in use. ENERGY: 4047200 751.0006 2123.8630 1950.2011 117.0398 -206151.3402 17865.1443 0.0000 0.0000 34246.6902 -149097.4010 299.0849 -183344.0913 -149001.7656 300.6270 -30.0471 1.4972 556024.2358 1.2067 1.2467 PRESSURE: 4047400 14.2796 -88.8062 -10.9363 -88.8062 42.1233 115.546 -10.9369 115.547 -181.347 GPRESSURE: 4047400 46.3554 -109.42 -59.0876 58.1456 30.8171 100.194 5.34763 176.683 -108.726 PRESSAVG: 4047400 7.47011 14.5484 -4.83578 14.5485 -19.6486 -47.8716 -4.83575 -47.8715 -28.1487 GPRESSAVG: 4047400 6.7247 14.2475 -6.07679 15.7188 -19.543 -49.7997 -5.62195 -44.5661 -27.3313 TIMING: 4047400 CPU: 11762.7, 0.00290477/step Wall: 11762.7, 0.00290477/step, 0.768634 hours remaining, 207.628906 MB of memory in use. ENERGY: 4047400 785.1378 2095.5747 1960.6226 121.0882 -206117.1118 17705.6419 0.0000 0.0000 34325.8104 -149123.2362 299.7758 -183449.0466 -149022.5264 299.7299 -41.6479 -10.5177 555933.8093 -13.4424 -13.3832 PRESSURE: 4047600 -59.3606 -55.3886 -231.821 -55.3872 40.5989 3.25105 -231.82 3.25103 -55.8918 GPRESSURE: 4047600 -28.0578 -75.1165 -211.254 -99.7649 118.985 28.4524 -255.954 -72.4013 -69.46 PRESSAVG: 4047600 -12.6743 -22.9411 -27.237 -22.9411 18.1889 -5.16344 -27.237 -5.16365 35.7004 GPRESSAVG: 4047600 -11.771 -21.8178 -29.0159 -23.6405 17.0915 -5.00921 -25.101 -7.31075 34.8842 TIMING: 4047600 CPU: 11763.2, 0.0029091/step Wall: 11763.2, 0.0029091/step, 0.76962 hours remaining, 207.628906 MB of memory in use. ENERGY: 4047600 725.3913 2132.0456 1956.5952 105.2555 -205887.1884 17706.3394 0.0000 0.0000 34306.9228 -148954.6384 299.6109 -183261.5613 -148856.1833 299.6977 -24.8845 7.1559 557778.1156 13.7383 13.4016 PRESSURE: 4047800 126.567 -26.859 -28.8694 -26.8602 -154.437 126.928 -28.869 126.927 -69.6223 GPRESSURE: 4047800 127.109 -52.7809 -21.8532 -64.2181 -28.129 269.493 -104.732 19.3363 -88.5961 PRESSAVG: 4047800 1.7211 -1.213 -32.2725 -1.21303 10.8133 -9.04475 -32.2725 -9.04456 9.60683 GPRESSAVG: 4047800 1.64895 -3.58492 -30.2604 -0.475105 11.6138 -8.81912 -32.9747 -7.8104 8.82263 TIMING: 4047800 CPU: 11763.8, 0.0028945/step Wall: 11763.8, 0.0028945/step, 0.765596 hours remaining, 207.628906 MB of memory in use. ENERGY: 4047800 738.9503 2144.7769 1963.3590 109.4597 -205899.3227 17585.4581 0.0000 0.0000 34305.3755 -149051.9431 299.5974 -183357.3187 -148957.2371 299.5627 -32.4975 3.4614 557025.5025 7.3804 7.3618 PRESSURE: 4048000 -88.933 84.371 -161.542 84.3722 -425.633 50.1598 -161.54 50.1605 16.9521 GPRESSURE: 4048000 -48.8422 95.6779 -209.254 77.2993 -408.52 29.5582 -132.071 43.5214 42.8207 PRESSAVG: 4048000 -12.2356 -7.93088 -77.9257 -7.93085 -23.3559 -6.23273 -77.9258 -6.23282 25.3986 GPRESSAVG: 4048000 -12.783 -5.98903 -79.53 -7.04019 -22.8249 -7.17044 -78.8021 -8.85258 25.5682 TIMING: 4048000 CPU: 11764.4, 0.0028933/step Wall: 11764.4, 0.0028933/step, 0.765118 hours remaining, 207.628906 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: 4048000 742.7297 2080.9847 1994.6925 118.2416 -205845.6961 17539.6748 0.0000 0.0000 34375.3328 -148994.0399 300.2083 -183369.3727 -148894.3904 300.0301 -165.8712 -138.1804 557599.5295 -3.3976 -3.3466 PRESSURE: 4048200 117.961 -70.5847 26.9726 -70.5848 -89.9647 -10.6279 26.971 -10.6279 55.2038 GPRESSURE: 4048200 110.978 -73.3853 -16.0418 -68.0224 -18.4732 53.3933 37.551 -27.631 86.3357 PRESSAVG: 4048200 58.7058 13.6842 -58.7262 13.6841 -9.39496 18.3398 -58.7262 18.3398 6.50178 GPRESSAVG: 4048200 58.1123 14.1943 -56.4835 11.7016 -8.93338 19.3878 -58.354 21.8218 6.8895 TIMING: 4048200 CPU: 11765, 0.00290507/step Wall: 11765, 0.00290507/step, 0.768069 hours remaining, 207.628906 MB of memory in use. ENERGY: 4048200 750.4319 2102.3363 1968.1667 115.4000 -206187.9001 17737.6055 0.0000 0.0000 34471.3906 -149042.5691 301.0472 -183513.9597 -148941.2812 300.1121 27.7334 59.6134 557201.9243 18.6042 18.6895 LDB: ============= START OF LOAD BALANCING ============== 11768.4 LDB: ============== END OF LOAD BALANCING =============== 11768.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11768.4 LDB: ============= START OF LOAD BALANCING ============== 11768.7 LDB: Largest compute 4848 load 0.028088 is 23.9% of average load 0.117712 LDB: Average compute 0.001740 is 1.5% of average load 0.117712 LDB: TIME 11768.7 LOAD: AVG 0.117712 MAX 0.180388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 11768.7 LOAD: AVG 0.117712 MAX 0.180388 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: TIME 11768.7 LOAD: AVG 0.117712 MAX 0.180388 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11768.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11768.8 PRESSURE: 4048400 260.304 -56.4116 -170.249 -56.4127 -2.77671 117.763 -170.249 117.764 135.72 GPRESSURE: 4048400 341.069 -76.2416 -156.927 -56.2728 14.7573 150.405 -223.202 94.2309 126.004 PRESSAVG: 4048400 -52.2237 4.65082 -64.4567 4.65091 -15.5806 -16.2204 -64.4567 -16.2204 21.7947 GPRESSAVG: 4048400 -51.4446 3.35048 -67.0893 5.17466 -16.5939 -15.9196 -63.6534 -19.6356 21.8557 TIMING: 4048400 CPU: 11765.6, 0.00297781/step Wall: 11765.6, 0.00297781/step, 0.787136 hours remaining, 207.601562 MB of memory in use. ENERGY: 4048400 711.5721 2110.6544 1972.7411 103.5164 -206108.1418 17999.9219 0.0000 0.0000 34185.8406 -149023.8954 298.5534 -183209.7360 -148930.9205 299.3564 131.0823 160.6103 557780.6565 -15.3365 -15.3943 PRESSURE: 4048600 179.127 -0.153385 154.11 -0.154209 15.7245 -32.2234 154.111 -32.2235 -229.108 GPRESSURE: 4048600 135.601 72.9266 92.1473 -87.8746 45.5905 -72.8458 191.71 26.3214 -119.643 PRESSAVG: 4048600 -12.9731 -20.5167 14.9713 -20.5167 32.4902 30.7654 14.9713 30.7654 -13.9961 GPRESSAVG: 4048600 -14.0678 -19.1766 16.2764 -20.5774 33.3719 33.8138 14.5249 34.1075 -13.5907 TIMING: 4048600 CPU: 11766.2, 0.0029187/step Wall: 11766.2, 0.0029187/step, 0.771348 hours remaining, 207.937500 MB of memory in use. ENERGY: 4048600 768.9706 2047.4418 1962.3349 112.7995 -205843.4051 17694.3615 0.0000 0.0000 34153.3479 -149104.1488 298.2697 -183257.4968 -149011.1812 299.5912 -11.4187 20.5161 556988.5814 1.8403 1.9045 PRESSURE: 4048800 -13.3181 23.7841 227.413 23.7831 70.8269 -68.1031 227.412 -68.1035 -114.901 GPRESSURE: 4048800 116.485 78.2913 293.691 53.5673 88.1577 -35.0529 153.279 -105.877 -152.747 PRESSAVG: 4048800 -43.0129 -27.0885 14.3371 -27.0884 21.0106 4.32236 14.3371 4.32242 10.1676 GPRESSAVG: 4048800 -41.6707 -28.5939 13.7905 -26.9687 19.7198 2.2663 14.7658 2.68196 9.7187 TIMING: 4048800 CPU: 11766.7, 0.00289347/step Wall: 11766.7, 0.00289347/step, 0.764519 hours remaining, 207.937500 MB of memory in use. ENERGY: 4048800 714.7188 2057.0038 1945.8862 124.9258 -206198.6394 17709.4982 0.0000 0.0000 34464.9611 -149181.6456 300.9911 -183646.6066 -149087.9063 299.8434 -19.1307 17.2987 557141.8537 -3.9449 -4.0774 PRESSURE: 4049000 -157.713 77.3892 -158.013 77.3902 12.2882 214.976 -158.012 214.975 -35.329 GPRESSURE: 4049000 -155.387 59.7977 -161.216 20.0411 73.3062 202.749 -10.6366 210.081 -2.07545 PRESSAVG: 4049000 -14.244 27.2308 8.93261 27.2307 47.3778 27.9706 8.93264 27.9706 -33.1308 GPRESSAVG: 4049000 -14.1469 27.2912 9.65 29.8278 48.4479 29.4534 9.83797 26.6383 -33.8228 TIMING: 4049000 CPU: 11767.3, 0.00289653/step Wall: 11767.3, 0.00289653/step, 0.765167 hours remaining, 207.937500 MB of memory in use. ENERGY: 4049000 753.6950 2114.9194 1946.7950 110.7281 -206025.5705 17756.6015 0.0000 0.0000 34291.7217 -149051.1099 299.4781 -183342.8316 -148952.8494 299.5237 -60.2513 -28.0520 557652.8717 0.0010 0.1594 PRESSURE: 4049200 45.3911 -75.9908 -117.151 -75.991 -128.612 -74.1838 -117.152 -74.1845 62.7579 GPRESSURE: 4049200 25.0825 -54.6899 -9.91818 -145.891 -97.1926 -165.847 -124.248 -17.9968 150.741 PRESSAVG: 4049200 -40.3437 25.3296 -37.8675 25.3295 -38.9302 -19.6006 -37.8675 -19.6007 84.2527 GPRESSAVG: 4049200 -40.9666 25.7247 -38.2933 22.8966 -40.328 -22.1263 -39.6505 -17.1353 86.1728 TIMING: 4049200 CPU: 11767.9, 0.00288436/step Wall: 11767.9, 0.00288436/step, 0.761791 hours remaining, 208.140625 MB of memory in use. ENERGY: 4049200 714.0053 2118.7787 1967.3072 104.2174 -206001.8266 17722.3797 0.0000 0.0000 34254.6213 -149120.5169 299.1541 -183375.1382 -149021.7323 299.6903 -6.8211 26.2102 558607.4983 1.6596 1.6261 PRESSURE: 4049400 -209.806 101.222 -118.234 101.223 -223.296 -101.917 -118.234 -101.918 -154.639 GPRESSURE: 4049400 -172.743 117.588 -136.222 151.582 -158.887 -133.822 -93.1843 -72.4855 -161.694 PRESSAVG: 4049400 57.8541 -7.85927 -15.918 -7.85924 -38.5083 -42.832 -15.9179 -42.8319 -0.205816 GPRESSAVG: 4049400 57.94 -7.19726 -15.2473 -6.5636 -36.6313 -42.3941 -14.1472 -43.6217 -2.14645 TIMING: 4049400 CPU: 11768.5, 0.00292109/step Wall: 11768.5, 0.00292109/step, 0.77133 hours remaining, 208.140625 MB of memory in use. ENERGY: 4049400 750.9758 2129.0296 1929.4945 106.5525 -205695.8673 17431.9555 0.0000 0.0000 34258.0846 -149089.7749 299.1844 -183347.8595 -148997.6739 299.2334 -195.9138 -164.4415 559241.8423 6.3800 6.3874 PRESSURE: 4049600 -53.4334 53.3517 75.2371 53.3516 -74.5706 6.72829 75.2361 6.7291 149.724 GPRESSURE: 4049600 -17.741 106.631 1.04748 34.5518 -32.1131 -6.35297 129.151 -5.47304 189.339 PRESSAVG: 4049600 -32.5137 -0.371583 -69.4128 -0.371647 -8.6735 24.7675 -69.4128 24.7675 14.6865 GPRESSAVG: 4049600 -31.6082 -1.42035 -71.0531 -2.44794 -8.86746 25.0118 -69.2013 25.63 14.533 TIMING: 4049600 CPU: 11769.1, 0.00292644/step Wall: 11769.1, 0.00292644/step, 0.77258 hours remaining, 208.140625 MB of memory in use. ENERGY: 4049600 757.0286 2104.4797 1952.0631 102.6104 -206153.7162 17853.9533 0.0000 0.0000 34383.7491 -148999.8321 300.2818 -183383.5812 -148903.6657 299.6165 7.2401 46.4951 557470.7536 -8.8336 -8.6476 PRESSURE: 4049800 0.175571 -178.211 -116.479 -178.211 -100.961 -125.498 -116.48 -125.498 -288.222 GPRESSURE: 4049800 35.7909 -132.724 -97.0413 -150.96 -89.0057 -189.987 -174.756 -64.0283 -231.528 PRESSAVG: 4049800 7.99342 -21.4907 -6.39391 -21.4907 -21.7189 -51.888 -6.3939 -51.8881 16.179 GPRESSAVG: 4049800 8.18605 -20.0437 -3.73021 -21.0364 -22.8468 -53.6056 -7.5994 -51.3501 16.4227 TIMING: 4049800 CPU: 11769.6, 0.0029031/step Wall: 11769.6, 0.0029031/step, 0.766258 hours remaining, 208.140625 MB of memory in use. ENERGY: 4049800 748.5705 2114.4252 1944.2822 111.3600 -205755.0100 17534.9077 0.0000 0.0000 34251.4337 -149050.0308 299.1263 -183301.4645 -148951.6130 299.9030 -129.6693 -94.9143 557573.9158 0.8178 0.5873 PRESSURE: 4050000 -6.83058 17.3915 25.0563 17.3923 -151.581 -169.923 25.0566 -169.924 33.4191 GPRESSURE: 4050000 42.2932 63.5257 84.9018 -10.9474 -82.0443 -156.029 -1.53812 -179.065 7.76468 PRESSAVG: 4050000 -6.19052 1.78607 -6.34641 1.78616 15.0047 -27.6824 -6.34638 -27.6823 54.1068 GPRESSAVG: 4050000 -7.02134 1.13036 -7.24563 3.61474 15.7064 -27.0516 -6.22943 -28.6768 54.1559 TIMING: 4050000 CPU: 11770.2, 0.00290716/step Wall: 11770.2, 0.00290716/step, 0.767166 hours remaining, 208.140625 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: 4050000 750.7400 2089.5418 1973.4698 116.8696 -206017.6751 17733.3489 0.0000 0.0000 34276.8724 -149076.8326 299.3485 -183353.7050 -148989.5830 300.0798 -41.6642 -10.6621 558281.6550 20.9737 20.9470 PRESSURE: 4050200 -154.382 -114.297 -103.643 -114.297 -153.339 -27.8102 -103.644 -27.81 -247.162 GPRESSURE: 4050200 -80.1549 -125.121 -85.5308 -94.8155 -150.452 -37.871 -87.3318 12.8533 -233.467 PRESSAVG: 4050200 -13.8405 -47.9879 -46.7229 -47.988 25.9317 -43.1912 -46.7229 -43.1913 32.9938 GPRESSAVG: 4050200 -14.3096 -48.0278 -47.4006 -48.9207 26.6551 -44.4351 -46.5738 -42.7739 32.5428 TIMING: 4050200 CPU: 11770.8, 0.0029114/step Wall: 11770.8, 0.0029114/step, 0.768125 hours remaining, 208.140625 MB of memory in use. ENERGY: 4050200 759.8853 2126.6693 1946.4195 108.2353 -205891.0575 17449.3713 0.0000 0.0000 34512.4506 -148988.0262 301.4058 -183500.4768 -148895.2051 299.7891 -184.9612 -154.6912 557142.3399 15.0283 14.9628 PRESSURE: 4050400 -533.014 -200.855 12.9594 -200.855 20.0784 -245.763 12.9601 -245.762 -193.237 GPRESSURE: 4050400 -499.028 -180.919 -80.1428 -142.295 0.861662 -182.998 106.896 -308.858 -114.243 PRESSAVG: 4050400 -60.9472 -35.5726 -16.2583 -35.5726 -13.1382 -34.286 -16.2583 -34.286 43.3119 GPRESSAVG: 4050400 -61.0108 -34.803 -15.2263 -34.9995 -13.0062 -33.4683 -19.027 -35.424 42.6533 TIMING: 4050400 CPU: 11771.4, 0.00289686/step Wall: 11771.4, 0.00289686/step, 0.764127 hours remaining, 208.140625 MB of memory in use. ENERGY: 4050400 738.0096 2091.8044 1926.3093 106.3638 -205543.6106 17538.9837 0.0000 0.0000 34293.6934 -148848.4465 299.4954 -183142.1399 -148746.0098 299.9963 -235.3908 -204.1367 559707.1136 -10.2579 -10.4545 PRESSURE: 4050600 55.0396 -69.5581 86.5472 -69.5582 46.7504 121.555 86.5468 121.554 -100.532 GPRESSURE: 4050600 43.3285 -116.223 75.2714 77.9887 151.53 83.2446 31.2531 181.181 -89.0693 PRESSAVG: 4050600 12.8108 -3.08429 41.8784 -3.08427 1.0335 -2.5323 41.8785 -2.53243 13.096 GPRESSAVG: 4050600 12.6102 -3.33482 41.751 -3.09214 1.09083 -2.03213 42.6089 -1.54722 13.4174 TIMING: 4050600 CPU: 11772, 0.00287435/step Wall: 11772, 0.00287435/step, 0.758029 hours remaining, 208.140625 MB of memory in use. ENERGY: 4050600 695.5436 2092.1216 1960.2733 111.2639 -205885.4893 17570.5449 0.0000 0.0000 34603.6887 -148852.0534 302.2026 -183455.7421 -148749.7808 299.6381 0.4194 35.2632 556724.2638 8.9801 9.0395 PRESSURE: 4050800 -285.837 57.9843 -167.039 57.9834 258.604 82.7442 -167.038 82.747 -114.039 GPRESSURE: 4050800 -287.92 128.702 -114.767 -42.8078 338.988 12.8675 -134.011 92.642 -93.5052 PRESSAVG: 4050800 39.1966 -28.1259 -4.79 -28.1259 36.9683 13.4725 -4.78998 13.4725 -52.8509 GPRESSAVG: 4050800 39.2771 -26.3827 -4.5463 -28.8203 36.4755 13.7023 -4.29463 12.3627 -52.1825 TIMING: 4050800 CPU: 11772.5, 0.00288884/step Wall: 11772.5, 0.00288884/step, 0.76169 hours remaining, 208.140625 MB of memory in use. ENERGY: 4050800 710.9695 2053.7452 1952.8660 111.0511 -205733.5033 17779.1397 0.0000 0.0000 34368.3783 -148757.3534 300.1476 -183125.7317 -148655.0254 300.3114 -47.0908 -14.1457 558790.2973 7.7713 7.8567 PRESSURE: 4051000 -172.829 -54.6826 155.178 -54.6831 -226.599 24.3304 155.177 24.3303 -20.2192 GPRESSURE: 4051000 -128.325 -57.5213 189.016 -61.2882 -138.26 -80.2146 130.113 -20.6009 -62.2352 PRESSAVG: 4051000 -3.4788 -15.1674 -16.1611 -15.1674 -69.0386 -30.2058 -16.1611 -30.2058 36.2455 GPRESSAVG: 4051000 -3.64506 -16.9981 -17.3291 -12.3952 -68.1397 -29.67 -14.0416 -30.5369 35.7279 TIMING: 4051000 CPU: 11773.1, 0.00288237/step Wall: 11773.1, 0.00288237/step, 0.759825 hours remaining, 208.140625 MB of memory in use. ENERGY: 4051000 751.8167 2087.5037 1958.8088 109.2960 -205752.1363 17556.4474 0.0000 0.0000 34373.4619 -148914.8018 300.1920 -183288.2638 -148821.1784 300.0331 -139.8824 -109.6067 557699.6595 -12.0906 -12.0189 PRESSURE: 4051200 3.25429 107.725 158.164 107.725 141.957 104.483 158.164 104.482 43.0355 GPRESSURE: 4051200 29.5009 73.8774 192.629 2.59984 133.577 152.018 152.204 96.5161 119.427 PRESSAVG: 4051200 2.65504 -35.1798 40.1693 -35.1797 15.3711 -11.4437 40.1693 -11.4436 2.28122 GPRESSAVG: 4051200 2.70636 -35.5282 40.1183 -36.619 15.2464 -11.5434 38.5237 -10.776 2.7594 TIMING: 4051200 CPU: 11773.7, 0.00288551/step Wall: 11773.7, 0.00288551/step, 0.760492 hours remaining, 208.140625 MB of memory in use. ENERGY: 4051200 733.3006 2015.3711 1949.9894 121.2495 -205936.3258 17850.2269 0.0000 0.0000 34409.4777 -148856.7106 300.5065 -183266.1883 -148758.4988 300.0683 62.7488 94.1681 558426.5235 6.7691 6.9040 PRESSURE: 4051400 175.787 -40.5318 -168.831 -40.5334 238.314 -32.5503 -168.83 -32.5484 14.2703 GPRESSURE: 4051400 258.77 -61.0765 -86.2976 -48.0551 218.529 -40.9656 -144.715 31.7389 42.0383 PRESSAVG: 4051400 -13.3959 5.73136 9.56033 5.73137 4.02206 -32.4042 9.56036 -32.4042 17.5776 GPRESSAVG: 4051400 -12.8797 5.09937 9.66292 4.73176 4.33121 -30.2344 8.76807 -34.0829 17.2626 TIMING: 4051400 CPU: 11774.3, 0.00287899/step Wall: 11774.3, 0.00287899/step, 0.758613 hours remaining, 208.140625 MB of memory in use. ENERGY: 4051400 751.3524 2084.7216 1986.2835 119.3068 -206271.7122 18082.8368 0.0000 0.0000 34398.3843 -148848.8267 300.4096 -183247.2110 -148754.6229 299.6528 142.7903 173.1124 558280.9264 2.7346 2.9047 PRESSURE: 4051600 -231.727 56.0849 -254.757 56.0837 21.3904 4.12688 -254.758 4.12665 299.163 GPRESSURE: 4051600 -168.476 125.437 -185.85 -6.94656 48.8279 -4.21296 -268.675 -39.0936 294.343 PRESSAVG: 4051600 -69.7514 79.3788 -7.38816 79.3789 59.4141 20.2811 -7.38813 20.281 13.2946 GPRESSAVG: 4051600 -69.3648 80.7512 -7.37261 78.9485 59.5074 18.2444 -5.93519 22.3894 12.7623 TIMING: 4051600 CPU: 11774.8, 0.00288713/step Wall: 11774.8, 0.00288713/step, 0.760598 hours remaining, 208.140625 MB of memory in use. ENERGY: 4051600 709.8403 2133.2309 1943.9199 118.3760 -206084.9353 17870.3977 0.0000 0.0000 34471.3104 -148837.8601 301.0465 -183309.1705 -148741.7122 301.0658 29.6089 58.2316 559138.2324 0.9858 0.9683 PRESSURE: 4051800 -57.0368 185.205 23.3566 185.207 -269.588 77.4025 23.3575 77.4012 145.921 GPRESSURE: 4051800 -7.31469 247.091 38.729 133.659 -240.642 50.5619 75.8999 40.7706 156.912 PRESSAVG: 4051800 -106.846 -3.78975 -24.8421 -3.78966 21.9584 -1.21411 -24.8421 -1.21404 60.6451 GPRESSAVG: 4051800 -107.963 -4.84771 -22.9809 -2.15047 22.3879 -2.21574 -24.8681 -0.890994 61.1368 TIMING: 4051800 CPU: 11775.4, 0.00288886/step Wall: 11775.4, 0.00288887/step, 0.760895 hours remaining, 208.140625 MB of memory in use. ENERGY: 4051800 747.9304 2097.5021 1965.9318 116.5231 -205476.6598 17569.4051 0.0000 0.0000 34134.9644 -148844.4030 298.1091 -182979.3673 -148754.3549 299.9457 -60.2348 -30.3483 558427.3563 -8.0809 -8.1460 PRESSURE: 4052000 366.177 -26.456 126.109 -26.4558 201.556 -23.4159 126.109 -23.4164 7.85064 GPRESSURE: 4052000 347.43 -99.5852 124.502 -0.558957 223.855 0.541668 116.725 37.9758 110.47 PRESSAVG: 4052000 26.1602 15.3327 -43.044 15.3327 45.3893 84.6815 -43.044 84.6815 -25.7254 GPRESSAVG: 4052000 27.3175 15.4898 -44.9196 15.6682 44.4944 87.8688 -43.603 83.5538 -25.858 TIMING: 4052000 CPU: 11776, 0.00290605/step Wall: 11776, 0.00290605/step, 0.765261 hours remaining, 208.140625 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: 4052000 738.4395 2069.1198 1977.9123 97.3544 -206074.4724 18055.3786 0.0000 0.0000 34458.3277 -148677.9402 300.9331 -183136.2679 -148581.1971 300.2906 191.8610 227.2519 557432.7431 15.2747 15.3179 PRESSURE: 4052200 -325.223 -138.271 -20.8664 -138.271 103.647 -70.8059 -20.8661 -70.8051 -243.683 GPRESSURE: 4052200 -234.117 -117.346 -5.11505 -179.155 36.4668 -117.873 -105.29 -103.746 -186.48 PRESSAVG: 4052200 -2.51375 -12.9467 -39.793 -12.9468 40.6818 -19.9808 -39.793 -19.9807 -44.6273 GPRESSAVG: 4052200 -2.05302 -11.212 -37.7231 -13.884 40.0342 -23.3889 -41.8958 -18.3361 -44.2164 TIMING: 4052200 CPU: 11776.6, 0.00290959/step Wall: 11776.6, 0.00290959/step, 0.766029 hours remaining, 208.140625 MB of memory in use. ENERGY: 4052200 777.3007 2049.6399 1942.0443 120.6134 -205553.2152 17655.9000 0.0000 0.0000 34367.5457 -148640.1713 300.1403 -183007.7170 -148541.9023 300.8841 -155.0865 -128.0433 559590.4904 -2.1531 -2.0784 LDB: ============= START OF LOAD BALANCING ============== 11780.1 LDB: ============== END OF LOAD BALANCING =============== 11780.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11780.1 LDB: ============= START OF LOAD BALANCING ============== 11780.3 LDB: Largest compute 4848 load 0.029579 is 25.1% of average load 0.117847 LDB: Average compute 0.001736 is 1.5% of average load 0.117847 LDB: TIME 11780.3 LOAD: AVG 0.117847 MAX 0.182075 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 11780.3 LOAD: AVG 0.117847 MAX 0.182075 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 11780.3 LOAD: AVG 0.117847 MAX 0.182075 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11780.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11780.4 PRESSURE: 4052400 84.5017 28.5788 -86.9697 28.5788 -50.6109 -42.2196 -86.9704 -42.2194 -122.565 GPRESSURE: 4052400 137.224 74.9574 -8.06205 7.79271 -3.99238 -17.3749 -115.182 -100.797 -120.939 PRESSAVG: 4052400 37.7102 -44.8413 -2.47711 -44.8414 -11.1587 -23.0293 -2.47721 -23.0292 -14.5851 GPRESSAVG: 4052400 38.2641 -47.2273 -4.3912 -44.8213 -11.166 -23.0366 -0.0995727 -22.3656 -15.3691 TIMING: 4052400 CPU: 11777.2, 0.00294973/step Wall: 11777.2, 0.00294973/step, 0.776434 hours remaining, 205.562500 MB of memory in use. ENERGY: 4052400 749.5813 2018.8792 1972.2906 110.5234 -205647.0391 17509.3855 0.0000 0.0000 34464.5923 -148821.7868 300.9879 -183286.3791 -148722.3265 300.5591 -29.5582 4.0976 556448.6641 3.9888 3.9096 PRESSURE: 4052600 39.2612 73.1448 -64.8792 73.1451 41.1916 -35.6205 -64.8793 -35.6203 206.675 GPRESSURE: 4052600 115.273 95.9692 -34.559 40.7533 52.9022 79.9848 -135.319 -37.1758 227.631 PRESSAVG: 4052600 -12.7892 20.1904 44.6068 20.1905 0.467281 -4.56517 44.6067 -4.56523 -29.9473 GPRESSAVG: 4052600 -14.2928 20.7511 44.8808 21.4846 1.33395 -5.75953 45.0824 -5.15694 -29.0095 TIMING: 4052600 CPU: 11777.8, 0.00289828/step Wall: 11777.8, 0.00289828/step, 0.76273 hours remaining, 205.562500 MB of memory in use. ENERGY: 4052600 727.9558 1992.7328 1984.6880 98.7808 -205971.9875 17938.3789 0.0000 0.0000 34226.5007 -149002.9505 298.9085 -183229.4512 -148907.3154 299.3431 95.7092 131.9355 557642.3528 -14.0897 -13.9895 PRESSURE: 4052800 -17.4861 43.683 -55.137 43.6825 -98.4678 93.104 -55.1368 93.1041 -166.832 GPRESSURE: 4052800 -7.04558 -16.5943 -110.626 18.672 -93.5337 63.9687 -9.17196 107.763 -78.243 PRESSAVG: 4052800 13.1232 -5.86396 102.793 -5.86398 41.2082 -11.266 102.793 -11.266 -48.3028 GPRESSAVG: 4052800 13.5485 -6.04694 103.882 -6.96292 41.2268 -8.21749 102.731 -12.6169 -48.8296 TIMING: 4052800 CPU: 11778.3, 0.00289165/step Wall: 11778.3, 0.00289165/step, 0.760826 hours remaining, 205.562500 MB of memory in use. ENERGY: 4052800 724.2918 2022.2152 1969.0060 100.5605 -205760.4634 17565.6459 0.0000 0.0000 34352.7708 -149025.9731 300.0113 -183378.7439 -148933.2883 299.6329 -94.2620 -59.6074 557194.0149 2.0095 1.9819 PRESSURE: 4053000 -93.7467 289.297 161.588 289.296 -42.6731 -50.0227 161.588 -50.0229 109.854 GPRESSURE: 4053000 -37.4246 276.962 134.516 220.829 -23.9021 14.0877 100.489 -118.365 128.219 PRESSAVG: 4053000 29.7243 64.6936 55.0672 64.6937 -60.2692 11.2164 55.0673 11.2164 -0.285072 GPRESSAVG: 4053000 29.7677 65.5722 55.2098 64.8882 -61.8992 11.5267 53.6261 11.7477 1.62375 TIMING: 4053000 CPU: 11778.9, 0.00289356/step Wall: 11778.9, 0.00289356/step, 0.761168 hours remaining, 205.562500 MB of memory in use. ENERGY: 4053000 725.4777 2036.9031 1970.5458 133.7688 -205659.3490 17647.7698 0.0000 0.0000 34124.3498 -149020.5340 298.0164 -183144.8838 -148926.5158 299.4527 -8.8552 22.2975 557722.7706 -10.2767 -10.1692 PRESSURE: 4053200 -139.626 5.27539 -47.0557 5.27585 23.001 -57.5225 -47.0549 -57.5217 91.4304 GPRESSURE: 4053200 -67.3652 13.5021 -110.602 -4.39719 58.852 -6.82372 -58.8754 -84.458 80.6141 PRESSAVG: 4053200 23.4746 6.12772 42.1318 6.12769 -32.9703 0.538398 42.1318 0.538505 -0.54681 GPRESSAVG: 4053200 23.1008 3.72234 38.2758 5.75126 -32.5211 0.656603 44.9941 0.306904 -0.516656 TIMING: 4053200 CPU: 11779.5, 0.00289122/step Wall: 11779.5, 0.00289122/step, 0.760391 hours remaining, 205.562500 MB of memory in use. ENERGY: 4053200 735.8238 2054.3997 1957.0193 103.9141 -206551.2970 18041.7548 0.0000 0.0000 34517.2964 -149141.0888 301.4481 -183658.3853 -149037.4182 299.6338 -8.3983 24.0336 556360.0644 -3.3475 -3.3123 PRESSURE: 4053400 -377.379 59.9333 -85.9407 59.9332 -368.067 -114.066 -85.9404 -114.065 -484.613 GPRESSURE: 4053400 -374.801 88.2026 -97.9827 21.6611 -291.734 -180.418 -82.8161 -71.6366 -456.278 PRESSAVG: 4053400 4.37278 -9.9813 -13.6278 -9.98127 23.3881 -24.3935 -13.6278 -24.3935 -57.0212 GPRESSAVG: 4053400 5.07458 -7.35381 -10.4717 -10.4473 24.0577 -26.6105 -15.9925 -23.1026 -58.489 TIMING: 4053400 CPU: 11780.1, 0.00287287/step Wall: 11780.1, 0.00287286/step, 0.755404 hours remaining, 205.562500 MB of memory in use. ENERGY: 4053400 808.4506 2041.4392 1958.9342 109.7815 -205729.7551 17351.9808 0.0000 0.0000 34294.8096 -149164.3591 299.5051 -183459.1687 -149073.8647 300.1585 -410.0197 -374.2711 557732.5457 -9.7535 -9.7856 PRESSURE: 4053600 176.798 50.0424 49.4465 50.0419 -79.9057 -73.9846 49.4471 -73.9848 70.1194 GPRESSURE: 4053600 198.673 7.00943 58.6178 37.7095 -58.403 -30.1304 104.079 59.8649 125.484 PRESSAVG: 4053600 2.36072 0.604803 19.8881 0.604875 19.6264 -73.3431 19.8882 -73.3431 -28.7035 GPRESSAVG: 4053600 0.957543 -1.72803 21.6453 1.25745 20.2253 -71.8353 19.3571 -73.9884 -27.7242 TIMING: 4053600 CPU: 11780.6, 0.00288139/step Wall: 11780.6, 0.00288139/step, 0.757484 hours remaining, 205.562500 MB of memory in use. ENERGY: 4053600 733.2941 2060.2509 1957.2630 115.4869 -206415.0644 17905.0334 0.0000 0.0000 34227.1075 -149416.6284 298.9138 -183643.7359 -149322.5215 299.0962 55.6707 88.5848 556792.9894 -2.2388 -2.1805 PRESSURE: 4053800 -84.0119 -37.3581 -1.5431 -37.3579 -31.6392 106.954 -1.54271 106.954 -138.928 GPRESSURE: 4053800 -32.8082 -2.99092 -73.6389 -54.7616 -34.6015 133.276 -25.9731 20.1233 -101.054 PRESSAVG: 4053800 93.6257 4.81798 41.8726 4.81799 -47.7887 -1.60491 41.8725 -1.60497 -4.89342 GPRESSAVG: 4053800 94.6544 5.62019 40.6707 4.35964 -48.8746 -0.794865 42.4404 -3.29196 -4.82902 TIMING: 4053800 CPU: 11781.2, 0.00289769/step Wall: 11781.2, 0.00289769/step, 0.761608 hours remaining, 205.562500 MB of memory in use. ENERGY: 4053800 740.5926 2063.0524 1954.1081 106.1876 -206204.5295 17693.7322 0.0000 0.0000 34400.6212 -149246.2354 300.4292 -183646.8566 -149150.2542 298.8205 -84.8596 -56.1545 558161.4147 13.6479 13.6503 PRESSURE: 4054000 322.613 -72.969 -44.8402 -72.9689 -80.1728 149.545 -44.8419 149.546 204.057 GPRESSURE: 4054000 380.458 -40.7743 -56.4697 0.160457 -106.634 67.1098 10.9028 109.053 266.542 PRESSAVG: 4054000 21.0232 8.1988 20.7893 8.19876 -16.7818 17.7262 20.7894 17.7263 -23.7588 GPRESSAVG: 4054000 21.4084 10.4337 19.6199 8.74216 -16.717 16.2533 21.9329 17.2991 -24.4302 TIMING: 4054000 CPU: 11781.8, 0.00288682/step Wall: 11781.8, 0.00288682/step, 0.758591 hours remaining, 205.562500 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: 4054000 706.5813 2060.1192 1980.3546 107.3500 -206897.2851 18181.0783 0.0000 0.0000 34455.3603 -149406.4414 300.9072 -183861.8017 -149311.4851 298.3838 148.8327 180.1224 557068.4320 -6.5058 -6.5796 PRESSURE: 4054200 23.9156 82.3499 -116.04 82.3494 109.59 -68.8428 -116.039 -68.8432 121.958 GPRESSURE: 4054200 63.5789 150.665 -122.821 20.8417 86.1057 -174.845 -96.1832 -4.97406 192.291 PRESSAVG: 4054200 59.725 -12.8064 33.7434 -12.8064 -65.6609 -0.389836 33.7434 -0.389902 15.5334 GPRESSAVG: 4054200 59.5933 -12.8442 33.1447 -14.8268 -65.0808 0.941428 33.9898 -0.755389 15.1116 TIMING: 4054200 CPU: 11782.4, 0.00287401/step Wall: 11782.4, 0.00287401/step, 0.755066 hours remaining, 205.562500 MB of memory in use. ENERGY: 4054200 719.3087 2076.6200 1956.8904 110.2338 -206135.8492 17956.7597 0.0000 0.0000 33997.0557 -149318.9809 296.9047 -183316.0366 -149223.2596 298.6595 85.1545 113.9919 556555.9927 3.1992 3.2080 PRESSURE: 4054400 -25.8135 130.024 -69.5429 130.026 -29.3218 -137.832 -69.5414 -137.833 308.659 GPRESSURE: 4054400 12.6746 207.5 -172.069 175.364 1.53535 -92.415 -42.4697 -179.625 337.226 PRESSAVG: 4054400 -47.7331 -39.4875 -16.9604 -39.4875 -51.9624 -59.0976 -16.9604 -59.0977 85.5598 GPRESSAVG: 4054400 -47.6131 -42.1757 -17.4069 -37.8506 -53.3408 -60.1875 -17.9929 -57.1684 86.5882 TIMING: 4054400 CPU: 11783, 0.00288018/step Wall: 11783, 0.00288018/step, 0.756527 hours remaining, 205.562500 MB of memory in use. ENERGY: 4054400 730.3197 2084.3474 1939.1033 110.6602 -206579.3634 18027.0229 0.0000 0.0000 34258.8406 -149429.0693 299.1910 -183687.9099 -149329.1874 298.7367 84.5080 117.1454 555964.4280 -4.7119 -4.7886 PRESSURE: 4054600 -162.691 -80.8678 -25.1495 -80.8666 -49.9776 -152.994 -25.1495 -152.993 71.3796 GPRESSURE: 4054600 -62.7682 -112.661 -89.9958 -88.9836 -110.629 -127.3 74.0362 -139.141 137.731 PRESSAVG: 4054600 -31.4785 41.8377 13.0274 41.8377 11.4135 -1.54434 13.0274 -1.54438 30.6979 GPRESSAVG: 4054600 -32.0466 42.1396 13.3838 43.2784 11.9874 -1.54421 15.0003 -0.841753 31.1228 TIMING: 4054600 CPU: 11783.5, 0.00287665/step Wall: 11783.5, 0.00287665/step, 0.755441 hours remaining, 205.562500 MB of memory in use. ENERGY: 4054600 733.8441 2035.0566 1947.2958 117.9157 -206269.9832 17744.3408 0.0000 0.0000 34311.1883 -149380.3419 299.6481 -183691.5302 -149287.4150 298.1715 -47.0963 -11.8887 556166.2919 3.5443 3.6879 PRESSURE: 4054800 -147.917 -53.0505 -37.7663 -53.0518 -161.187 -24.8649 -37.7662 -24.8645 -61.6448 GPRESSURE: 4054800 -50.3523 23.5563 -54.5384 -77.3577 -173.806 -25.2175 5.60296 -67.2661 -35.8453 PRESSAVG: 4054800 38.0634 -51.9367 -6.60756 -51.9367 -80.5499 -41.5482 -6.60754 -41.5481 70.0517 GPRESSAVG: 4054800 39.5465 -50.3367 -4.97727 -51.9496 -81.6615 -39.7536 -6.03656 -44.2353 69.3926 TIMING: 4054800 CPU: 11784.1, 0.00285621/step Wall: 11784.1, 0.00285621/step, 0.749914 hours remaining, 205.562500 MB of memory in use. ENERGY: 4054800 732.1214 2030.6752 1938.0095 110.7428 -206338.6551 17756.7461 0.0000 0.0000 34385.3564 -149385.0037 300.2959 -183770.3601 -149284.6631 298.8076 -123.5828 -86.6680 557867.0892 9.1884 9.0925 PRESSURE: 4055000 50.4159 20.3852 -71.9483 20.3845 -157.788 38.4968 -71.9486 38.4961 -93.1137 GPRESSURE: 4055000 82.597 -21.3022 -29.2645 78.4321 -138.121 53.1029 -159.844 -19.6299 -50.911 PRESSAVG: 4055000 -43.8014 -26.8364 22.1235 -26.8363 -55.8958 27.3298 22.1235 27.3297 62.4729 GPRESSAVG: 4055000 -44.2677 -27.6922 21.2541 -27.8387 -55.4725 26.3034 21.1467 30.2233 62.5172 TIMING: 4055000 CPU: 11784.7, 0.00287241/step Wall: 11784.7, 0.0028724/step, 0.754006 hours remaining, 205.562500 MB of memory in use. ENERGY: 4055000 736.8623 2129.7008 1929.5398 103.7249 -206279.3121 17677.2147 0.0000 0.0000 34329.6473 -149372.6223 299.8093 -183702.2696 -149274.4210 298.9104 -66.8285 -35.4783 556816.0576 -12.4081 -12.4077 PRESSURE: 4055200 91.2807 -11.0785 -95.901 -11.0784 -15.878 -51.6364 -95.9013 -51.6387 135.94 GPRESSURE: 4055200 151.516 -12.7059 -75.0189 -100.797 32.1929 -118.824 7.74971 -25.0772 121.475 PRESSAVG: 4055200 -23.9953 -60.2064 -36.1163 -60.2064 -8.99972 16.163 -36.1164 16.1629 32.7716 GPRESSAVG: 4055200 -25.4739 -60.1758 -35.3779 -59.5087 -7.4605 15.4344 -35.8549 16.1338 33.0556 TIMING: 4055200 CPU: 11785.3, 0.00288281/step Wall: 11785.3, 0.00288281/step, 0.756579 hours remaining, 205.562500 MB of memory in use. ENERGY: 4055200 732.0743 2119.3715 1916.8275 99.5657 -206309.1766 17968.1009 0.0000 0.0000 34112.7299 -149360.5068 297.9150 -183473.2367 -149265.4345 298.7124 70.4475 101.7281 558660.8212 -0.0745 0.0404 PRESSURE: 4055400 -97.9251 -39.1488 12.4547 -39.1506 -69.6383 -47.7559 12.4547 -47.756 -299.227 GPRESSURE: 4055400 -17.31 -94.8292 19.4727 40.6886 -23.2826 -64.0854 -53.5383 -48.371 -323.757 PRESSAVG: 4055400 62.1939 -41.3674 7.25961 -41.3674 -45.1595 -7.20429 7.25961 -7.20435 -57.4947 GPRESSAVG: 4055400 62.9046 -42.5466 8.93716 -43.8605 -45.6055 -7.43559 5.0689 -7.81131 -57.4811 TIMING: 4055400 CPU: 11785.8, 0.00287762/step Wall: 11785.8, 0.00287762/step, 0.755054 hours remaining, 205.562500 MB of memory in use. ENERGY: 4055400 759.3637 2066.5033 1954.8310 108.7399 -206122.5461 17664.6851 0.0000 0.0000 34177.7042 -149390.7189 298.4824 -183568.4231 -149293.0051 298.7956 -155.5968 -121.4498 558511.1511 -13.4868 -13.3940 PRESSURE: 4055600 -180.911 -115.337 70.0029 -115.337 -7.34054 20.0406 70.0024 20.04 -87.4181 GPRESSURE: 4055600 -159.593 -80.6977 111.828 -150.829 35.7177 -58.0974 28.1658 1.00326 -44.7538 PRESSAVG: 4055600 22.1215 -15.4175 -43.2346 -15.4176 50.5791 -59.14 -43.2346 -59.1399 -43.2181 GPRESSAVG: 4055600 22.4561 -16.1361 -45.4692 -14.3627 50.0242 -59.3011 -39.7229 -59.2575 -43.3665 TIMING: 4055600 CPU: 11786.4, 0.00288725/step Wall: 11786.4, 0.00288725/step, 0.757421 hours remaining, 205.562500 MB of memory in use. ENERGY: 4055600 728.0971 2120.4683 1937.1502 106.7506 -206074.5411 17632.4145 0.0000 0.0000 34142.1489 -149407.5115 298.1719 -183549.6604 -149311.7421 298.1540 -91.8898 -56.2099 558603.6723 9.8275 9.7046 PRESSURE: 4055800 240.441 -45.3647 6.41412 -45.3645 -22.0653 106.722 6.41432 106.723 -51.9442 GPRESSURE: 4055800 221.121 25.375 19.3589 -158.138 61.0843 45.6956 -25.8679 53.0776 -33.9334 PRESSAVG: 4055800 15.0345 -75.1854 10.1279 -75.1854 6.40139 21.77 10.1279 21.77 -13.7208 GPRESSAVG: 4055800 14.2148 -73.8621 11.3687 -76.176 6.64721 21.6087 4.88548 20.9671 -12.7994 TIMING: 4055800 CPU: 11787, 0.00287178/step Wall: 11787, 0.00287178/step, 0.753204 hours remaining, 205.562500 MB of memory in use. ENERGY: 4055800 752.6591 2082.6386 1937.9675 101.8550 -206343.1965 17890.5712 0.0000 0.0000 34203.7527 -149373.7526 298.7099 -183577.5052 -149267.7700 297.5970 55.4773 82.7573 559059.3351 2.5717 2.6875 PRESSURE: 4056000 -55.699 -250.985 106.983 -250.985 45.9949 41.3063 106.983 41.3064 48.6257 GPRESSURE: 4056000 24.1827 -220.932 115.434 -301.502 6.95377 107.742 115.752 75.6041 97.2765 PRESSAVG: 4056000 33.1567 -44.3044 -21.0846 -44.3045 -23.5471 29.9995 -21.0849 29.9997 7.0857 GPRESSAVG: 4056000 33.0588 -42.2672 -22.1887 -44.4046 -24.2151 31.4015 -18.1783 29.8336 7.3645 TIMING: 4056000 CPU: 11787.6, 0.00288142/step Wall: 11787.6, 0.00288142/step, 0.755573 hours remaining, 205.562500 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: 4056000 726.5694 2068.8893 1962.7138 99.9116 -206458.0533 18088.2834 0.0000 0.0000 34152.0833 -149359.6025 298.2586 -183511.6858 -149263.6440 298.6800 12.9739 42.8043 558272.1195 5.5651 5.4027 PRESSURE: 4056200 -192.41 109.339 -52.2478 109.337 154.595 80.2938 -52.2479 80.2958 61.7079 GPRESSURE: 4056200 -143.953 121.787 -73.542 139.827 156.792 172.434 -165.909 68.1632 90.9336 PRESSAVG: 4056200 -3.48919 19.6681 -10.2496 19.6681 -77.1649 51.9797 -10.2495 51.9798 41.2852 GPRESSAVG: 4056200 -2.72089 18.189 -7.70958 18.0998 -76.4554 51.3892 -11.2425 55.4149 39.5843 TIMING: 4056200 CPU: 11788.1, 0.00287715/step Wall: 11788.1, 0.00287715/step, 0.754293 hours remaining, 205.765625 MB of memory in use. ENERGY: 4056200 747.4194 2135.7482 1987.1701 132.5831 -206306.9234 17955.3077 0.0000 0.0000 34101.9444 -149246.7505 297.8208 -183348.6949 -149147.2956 298.7017 7.9644 34.5909 558411.8769 -13.1230 -13.1973 LDB: ============= START OF LOAD BALANCING ============== 11791.6 LDB: ============== END OF LOAD BALANCING =============== 11791.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11791.6 LDB: ============= START OF LOAD BALANCING ============== 11791.9 LDB: Largest compute 4848 load 0.029861 is 25.3% of average load 0.117814 LDB: Average compute 0.001739 is 1.5% of average load 0.117814 LDB: TIME 11791.9 LOAD: AVG 0.117814 MAX 0.178728 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.867 MB LDB: TIME 11791.9 LOAD: AVG 0.117814 MAX 0.178728 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: TIME 11791.9 LOAD: AVG 0.117814 MAX 0.178728 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.109 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11791.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11791.9 PRESSURE: 4056400 158.307 -79.2011 -44.4495 -79.2 -27.9824 24.2795 -44.4493 24.2809 229.817 GPRESSURE: 4056400 208.368 -33.2016 -59.5078 -109.527 50.0509 -14.428 -66.2759 -25.1064 204.277 PRESSAVG: 4056400 9.09652 -39.9344 35.9151 -39.9344 -1.97036 -9.88096 35.915 -9.88089 4.21085 GPRESSAVG: 4056400 9.84817 -40.8319 34.1275 -37.4774 -2.38908 -10.3285 36.5912 -11.8261 4.23788 TIMING: 4056400 CPU: 11788.7, 0.00293621/step Wall: 11788.7, 0.00293621/step, 0.769613 hours remaining, 207.839844 MB of memory in use. ENERGY: 4056400 774.0530 2087.3740 1981.9377 111.1037 -206569.6338 18027.9710 0.0000 0.0000 34343.6330 -149243.5614 299.9315 -183587.1944 -149147.8450 299.1230 120.0471 154.2321 557756.2645 3.7790 3.8990 PRESSURE: 4056600 -0.200215 -55.0554 176.694 -55.0537 -188.668 -36.8203 176.694 -36.8218 -281.881 GPRESSURE: 4056600 26.7836 -20.1508 223.647 -63.3193 -145.602 -2.50738 233.644 -22.8531 -241.951 PRESSAVG: 4056600 -5.84796 53.9615 14.457 53.9614 -19.3134 -38.7417 14.4571 -38.7417 35.6392 GPRESSAVG: 4056600 -6.61558 53.2824 13.6211 54.4207 -18.9018 -39.0482 17.591 -37.3288 36.1923 TIMING: 4056600 CPU: 11789.3, 0.00287195/step Wall: 11789.3, 0.00287195/step, 0.752609 hours remaining, 208.082031 MB of memory in use. ENERGY: 4056600 766.6591 2132.0035 1946.0493 107.1581 -206202.0079 17772.8284 0.0000 0.0000 34213.2822 -149264.0274 298.7931 -183477.3096 -149162.3961 298.3492 -156.9163 -120.2564 558459.1284 3.4926 3.5583 PRESSURE: 4056800 146.775 255.123 -6.89653 255.123 216.683 -11.6633 -6.89723 -11.664 373.676 GPRESSURE: 4056800 171.422 276.461 42.3088 247.287 234.18 -23.5305 -16.7116 25.5017 418.034 PRESSAVG: 4056800 -41.0415 33.2616 29.0186 33.2616 -1.43299 2.26872 29.0186 2.26873 18.3869 GPRESSAVG: 4056800 -43.1547 34.5932 28.8273 33.0647 -0.431782 3.02021 26.288 1.24586 19.867 TIMING: 4056800 CPU: 11789.9, 0.00287503/step Wall: 11789.9, 0.00287503/step, 0.753258 hours remaining, 208.082031 MB of memory in use. ENERGY: 4056800 732.7716 2107.8303 1971.1631 108.5936 -206609.7167 18241.1416 0.0000 0.0000 34067.7510 -149380.4655 297.5221 -183448.2165 -149292.4516 298.9329 245.7113 274.5451 558097.9441 -8.0292 -7.9065 PRESSURE: 4057000 27.5234 57.4258 56.9317 57.4268 127.173 195.774 56.9326 195.773 240.987 GPRESSURE: 4057000 41.0295 135.627 35.5044 4.15643 219.03 163.144 55.374 241.431 237.809 PRESSAVG: 4057000 -35.1413 39.7515 -3.94843 39.7516 57.8259 8.87432 -3.94841 8.87433 43.5681 GPRESSAVG: 4057000 -33.5396 41.3346 -4.4216 37.5474 57.2 9.30504 -3.88003 8.27226 42.3628 TIMING: 4057000 CPU: 11790.4, 0.00288114/step Wall: 11790.4, 0.00288114/step, 0.754699 hours remaining, 208.082031 MB of memory in use. ENERGY: 4057000 753.4711 2093.7251 1954.6579 113.4780 -206842.1178 18149.8081 0.0000 0.0000 34530.9129 -149246.0647 301.5671 -183776.9776 -149148.2478 299.0086 131.8945 165.9560 558263.7575 22.0842 22.0077 PRESSURE: 4057200 -359.643 67.3645 184.538 67.3618 -45.5349 -81.6614 184.538 -81.661 -153.11 GPRESSURE: 4057200 -260.577 69.7859 158.835 -57.9613 -30.8029 -91.5709 160.648 -54.5745 -164.319 PRESSAVG: 4057200 -73.9721 -37.4046 -39.1968 -37.4045 77.171 24.7337 -39.1967 24.7336 -0.0371137 GPRESSAVG: 4057200 -74.5489 -38.4566 -37.7204 -35.6169 78.577 24.6656 -39.8409 25.7539 -0.532308 TIMING: 4057200 CPU: 11791, 0.00288583/step Wall: 11791, 0.00288583/step, 0.755767 hours remaining, 208.082031 MB of memory in use. ENERGY: 4057200 744.2712 2084.6896 1988.1465 105.7897 -206221.9910 17761.8959 0.0000 0.0000 34398.4058 -149138.7923 300.4098 -183537.1981 -149039.1122 298.9464 -186.0959 -151.8996 559503.1306 1.0539 1.1653 PRESSURE: 4057400 -115.25 -9.72679 -13.6064 -9.72751 -215.189 -44.8793 -13.6081 -44.8784 -26.3395 GPRESSURE: 4057400 -19.8153 28.2539 -70.5917 -3.91203 -238.051 21.8959 65.132 -89.1902 -4.19377 PRESSAVG: 4057400 -5.66261 -26.3431 -50.3667 -26.3431 10.8857 -43.9016 -50.3666 -43.9015 21.3645 GPRESSAVG: 4057400 -4.05323 -26.284 -50.4877 -28.8123 8.96173 -44.5451 -47.9766 -43.2277 21.9124 TIMING: 4057400 CPU: 11791.6, 0.00290738/step Wall: 11791.6, 0.00290738/step, 0.761248 hours remaining, 208.082031 MB of memory in use. ENERGY: 4057400 775.3877 2075.1662 1952.9007 110.7925 -205713.2838 17553.7896 0.0000 0.0000 34190.5905 -149054.6567 298.5949 -183245.2471 -148963.1770 300.0462 -118.9263 -87.3534 558289.7379 8.8625 8.9403 PRESSURE: 4057600 129.061 3.4135 117.607 3.41256 -30.6808 32.2084 117.607 32.2073 81.9589 GPRESSURE: 4057600 180.743 -8.63837 162.76 -45.4035 27.8064 24.4295 83.2407 81.9001 67.6645 PRESSAVG: 4057600 36.4061 -24.1987 6.78755 -24.1988 -39.5567 -3.19297 6.78763 -3.19286 -82.6342 GPRESSAVG: 4057600 36.564 -24.7953 7.03788 -21.3078 -38.6491 -3.78063 5.71168 -4.78894 -83.8172 TIMING: 4057600 CPU: 11792.2, 0.002895/step Wall: 11792.2, 0.002895/step, 0.757846 hours remaining, 208.082031 MB of memory in use. ENERGY: 4057600 745.5548 2079.6143 1974.6522 119.4520 -206288.4966 17948.0174 0.0000 0.0000 34428.3300 -148992.8759 300.6712 -183421.2060 -148888.3299 299.7847 60.1131 92.0713 558209.7058 -28.5949 -28.6341 PRESSURE: 4057800 -95.8416 41.6298 38.8856 41.6299 -277.691 -5.08568 38.8847 -5.08511 -232.747 GPRESSURE: 4057800 -52.9166 96.9788 -28.3152 -35.325 -277.491 -30.1356 -43.7283 -45.9174 -180.463 PRESSAVG: 4057800 -32.4257 -44.889 15.545 -44.889 -56.2434 56.7088 15.545 56.7089 87.2822 GPRESSAVG: 4057800 -33.6637 -45.3171 14.8411 -44.6493 -55.3757 57.3019 14.5509 56.5021 87.852 TIMING: 4057800 CPU: 11792.8, 0.00290617/step Wall: 11792.8, 0.00290617/step, 0.76061 hours remaining, 208.082031 MB of memory in use. ENERGY: 4057800 758.1486 2118.8433 1961.0497 118.9893 -205941.4362 17627.4794 0.0000 0.0000 34245.8961 -149111.0298 299.0779 -183356.9259 -149007.5711 299.8280 -202.0932 -170.2904 559117.4773 -0.4623 -0.3958 PRESSURE: 4058000 -266.388 -78.3455 -14.5166 -78.3455 -44.659 -19.7301 -14.518 -19.7317 -344.471 GPRESSURE: 4058000 -227.727 -56.6491 9.00902 -68.1357 -81.7954 27.7712 -50.3131 -6.6938 -262.312 PRESSAVG: 4058000 -27.5777 -1.48015 11.8966 -1.48022 -11.2116 13.152 11.8966 13.152 87.6035 GPRESSAVG: 4058000 -27.0984 -0.98374 10.4269 -1.66199 -12.7506 14.3795 14.3087 14.3934 88.827 TIMING: 4058000 CPU: 11793.3, 0.00288586/step Wall: 11793.3, 0.00288586/step, 0.755134 hours remaining, 208.082031 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: 4058000 746.9355 2083.3538 1984.0653 116.5866 -205819.0280 17500.3466 0.0000 0.0000 34500.9429 -148886.7973 301.3053 -183387.7402 -148786.3721 299.7368 -218.5058 -190.6113 559611.6285 16.2714 16.3260 PRESSURE: 4058200 69.6872 6.01751 -76.6127 6.01789 236.211 -22.3661 -76.6139 -22.3639 146.729 GPRESSURE: 4058200 124.137 21.1751 -125.479 0.42844 246.686 46.3864 -63.878 -37.2041 168.103 PRESSAVG: 4058200 -52.7826 -38.7336 35.9189 -38.7335 66.9871 18.612 35.9189 18.6119 -0.384321 GPRESSAVG: 4058200 -52.0112 -38.9789 38.5459 -38.9568 66.8933 17.9173 33.9794 18.6613 -0.997484 TIMING: 4058200 CPU: 11793.9, 0.00291318/step Wall: 11793.9, 0.00291318/step, 0.762121 hours remaining, 208.082031 MB of memory in use. ENERGY: 4058200 761.4303 2105.9366 1968.3898 105.2457 -206389.5278 17999.4259 0.0000 0.0000 34469.0291 -148980.0703 301.0266 -183449.0994 -148885.3089 299.8468 150.8756 179.6422 557160.2969 4.6067 4.6282 PRESSURE: 4058400 -197.746 34.6494 168.262 34.6494 -81.9433 -116.363 168.26 -116.363 216.544 GPRESSURE: 4058400 -174.689 -21.3719 179.581 28.5273 -18.0625 -98.9543 143.537 -97.7643 230.63 PRESSAVG: 4058400 -46.701 15.1818 -1.62736 15.1817 -35.7843 -33.627 -1.62728 -33.6268 38.2449 GPRESSAVG: 4058400 -48.0544 15.5174 -2.85838 15.3785 -34.3761 -34.8517 0.468574 -32.5388 37.0608 TIMING: 4058400 CPU: 11794.5, 0.0029193/step Wall: 11794.5, 0.0029193/step, 0.763559 hours remaining, 208.082031 MB of memory in use. ENERGY: 4058400 760.7867 2119.1934 1941.7482 98.2204 -206365.0343 17953.4265 0.0000 0.0000 34444.6635 -149046.9956 300.8138 -183491.6591 -148959.9200 300.5358 -21.0484 12.6262 559114.7095 -14.7468 -15.1232 PRESSURE: 4058600 72.3302 -38.079 61.1531 -38.0794 43.4285 -69.3328 61.1541 -69.3316 -124.315 GPRESSURE: 4058600 87.4431 -26.3919 89.6919 -7.81722 71.2901 -48.6352 -25.0677 -29.3971 -60.6792 PRESSAVG: 4058600 -14.7051 2.15249 8.51189 2.15258 93.1516 6.97012 8.51183 6.97022 -33.0357 GPRESSAVG: 4058600 -15.2273 2.83836 8.52756 -0.533631 93.0444 7.63745 5.23561 5.87632 -32.0234 TIMING: 4058600 CPU: 11795.1, 0.00290832/step Wall: 11795.1, 0.00290832/step, 0.760525 hours remaining, 208.082031 MB of memory in use. ENERGY: 4058600 779.5342 2165.4928 1943.8654 121.7472 -206170.4994 17975.5504 0.0000 0.0000 34335.5748 -148848.7346 299.8611 -183184.3094 -148752.4409 300.0956 -2.8522 32.6846 558200.3315 15.1369 15.2646 PRESSURE: 4058800 -147.667 53.0236 -36.6948 53.0239 -333.413 -324.097 -36.6949 -324.097 -136.225 GPRESSURE: 4058800 -88.9382 49.81 -85.4871 115.173 -295.316 -272.574 7.4489 -366.001 -136.595 PRESSAVG: 4058800 -18.5585 -36.5077 14.5276 -36.5078 80.0457 -91.1944 14.5277 -91.1943 -81.5271 GPRESSAVG: 4058800 -18.7124 -38.3955 15.1273 -35.2179 80.7488 -89.942 15.1265 -91.0758 -81.9303 TIMING: 4058800 CPU: 11795.7, 0.00291459/step Wall: 11795.7, 0.00291459/step, 0.762004 hours remaining, 208.082031 MB of memory in use. ENERGY: 4058800 740.4622 2148.1309 1958.9060 113.4142 -205666.0688 17344.8763 0.0000 0.0000 34531.7415 -148828.5375 301.5743 -183360.2791 -148732.3177 300.2680 -205.7681 -173.6162 558413.1141 -6.6800 -6.6313 PRESSURE: 4059000 218.203 -102.65 11.2678 -102.651 105.472 -72.7133 11.2691 -72.7133 40.8803 GPRESSURE: 4059000 270.521 -84.1561 -62.7724 -124.486 93.5954 -113.75 142.547 -32.6538 87.3922 PRESSAVG: 4059000 -37.4686 32.6077 -14.9788 32.6077 54.3927 -88.5004 -14.9787 -88.5005 9.50985 GPRESSAVG: 4059000 -36.9441 32.3684 -14.3693 34.4526 54.4664 -88.9891 -13.0056 -89.2249 8.36121 TIMING: 4059000 CPU: 11796.2, 0.00289736/step Wall: 11796.2, 0.00289736/step, 0.757337 hours remaining, 208.082031 MB of memory in use. ENERGY: 4059000 754.9456 2130.1101 1954.3462 123.1451 -206442.3631 18145.6169 0.0000 0.0000 34438.8142 -148895.3850 300.7627 -183334.1992 -148794.4474 300.5222 121.5185 150.5027 557313.7715 8.8113 8.6278 PRESSURE: 4059200 136.703 -31.7955 11.7166 -31.7959 112.337 -43.4525 11.7162 -43.4506 -16.8317 GPRESSURE: 4059200 135.245 30.6766 167.21 -2.83788 150.418 29.368 -84.4613 -75.2511 42.5894 PRESSAVG: 4059200 -12.8681 -16.2332 -1.19601 -16.2332 -10.0321 -0.0644097 -1.19603 -0.0643688 18.2881 GPRESSAVG: 4059200 -12.5317 -15.9664 0.370396 -17.5926 -11.0634 0.316809 -4.22276 -1.69739 19.3809 TIMING: 4059200 CPU: 11796.8, 0.0028904/step Wall: 11796.8, 0.0028904/step, 0.755359 hours remaining, 208.242188 MB of memory in use. ENERGY: 4059200 728.8244 2071.0984 1942.9135 115.1810 -206214.7979 17842.5055 0.0000 0.0000 34365.5888 -149148.6863 300.1232 -183514.2751 -149044.2315 300.1978 77.4027 109.4176 557812.5567 -1.5374 -1.4047 PRESSURE: 4059400 152.951 -109.28 71.672 -109.279 -118.081 -32.669 71.6726 -32.6703 109.734 GPRESSURE: 4059400 203.706 -78.8186 22.9934 -155.398 -102.554 7.48704 104.002 -65.7993 140.331 PRESSAVG: 4059400 -35.0838 -31.8312 -17.2612 -31.8312 47.2938 -43.2654 -17.2611 -43.2655 -16.4023 GPRESSAVG: 4059400 -34.7059 -31.064 -18.3234 -31.556 46.9531 -44.1958 -16.2996 -41.1262 -16.2022 TIMING: 4059400 CPU: 11797.4, 0.00289147/step Wall: 11797.4, 0.00289147/step, 0.755476 hours remaining, 208.242188 MB of memory in use. ENERGY: 4059400 739.8077 2004.4510 1961.5969 116.5523 -206088.2700 17851.3282 0.0000 0.0000 34165.1589 -149249.3750 298.3728 -183414.5338 -149152.1421 299.0013 48.2014 80.4945 557863.0051 -1.3975 -1.3183 PRESSURE: 4059600 172.906 59.7331 101.067 59.7333 -78.2966 17.4834 101.067 17.483 -54.5963 GPRESSURE: 4059600 210.876 -61.5777 -2.58158 64.8001 5.65151 93.4043 91.8322 0.0672059 -66.3827 PRESSAVG: 4059600 -0.158351 -18.5868 45.3098 -18.5868 25.6848 7.49805 45.3097 7.49805 -27.7781 GPRESSAVG: 4059600 -0.639859 -17.1183 45.3835 -17.3913 25.392 8.39718 45.0039 6.98774 -26.9132 TIMING: 4059600 CPU: 11798, 0.00288235/step Wall: 11798, 0.00288235/step, 0.752933 hours remaining, 208.242188 MB of memory in use. ENERGY: 4059600 714.7743 2054.0152 1963.8158 114.0075 -206339.6910 17803.5804 0.0000 0.0000 34307.8895 -149381.6083 299.6193 -183689.4978 -149282.8050 298.3784 13.3377 50.0483 556284.9447 -0.7505 -0.7203 PRESSURE: 4059800 48.0108 -284.693 90.1018 -284.692 -251.917 19.937 90.0998 19.9371 -167.089 GPRESSURE: 4059800 71.5773 -269.913 158.978 -364.517 -244.883 11.409 59.3092 42.675 -106.686 PRESSAVG: 4059800 88.0404 -49.7241 27.0271 -49.7241 -36.6092 -5.32767 27.027 -5.32755 -55.638 GPRESSAVG: 4059800 88.7466 -51.8286 26.9612 -52.042 -35.8215 -6.91711 29.6702 -4.09382 -57.1191 TIMING: 4059800 CPU: 11798.6, 0.0028907/step Wall: 11798.6, 0.0028907/step, 0.754955 hours remaining, 208.242188 MB of memory in use. ENERGY: 4059800 731.2784 2102.9724 1959.8735 106.1295 -206330.5946 17622.3552 0.0000 0.0000 34320.1114 -149487.8742 299.7261 -183807.9856 -149395.7268 298.5707 -123.6650 -93.3305 557402.2129 -1.4023 -1.3980 PRESSURE: 4060000 -49.2834 132.517 15.3792 132.517 -45.727 65.9313 15.38 65.932 231.232 GPRESSURE: 4060000 -19.1824 82.083 -42.1235 102.207 -17.2641 69.6708 89.0746 75.4727 272.503 PRESSAVG: 4060000 30.6533 6.66972 -45.5388 6.66965 -102.836 -12.9189 -45.5387 -12.919 49.9384 GPRESSAVG: 4060000 30.344 8.3914 -45.3639 6.50761 -103.504 -11.9328 -46.4836 -13.94 51.0657 TIMING: 4060000 CPU: 11799.1, 0.00291664/step Wall: 11799.1, 0.00291664/step, 0.761567 hours remaining, 208.242188 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: 4060000 696.2925 2098.3061 1939.7484 114.4611 -206501.6443 17962.7591 0.0000 0.0000 34293.3545 -149396.7227 299.4924 -183690.0771 -149299.7656 298.5584 45.4072 78.6854 557029.8606 -7.4149 -7.3649 PRESSURE: 4060200 -236.416 132.744 -122.94 132.744 32.7138 69.2299 -122.939 69.2295 -227.98 GPRESSURE: 4060200 -175.715 118.313 -104.978 151.472 82.6326 64.6012 -109.6 81.1319 -242.762 PRESSAVG: 4060200 95.907 -5.09386 5.56961 -5.09378 -47.7656 -6.25498 5.56952 -6.25497 -13.0427 GPRESSAVG: 4060200 95.5269 -6.08827 5.59319 -4.76754 -47.2149 -7.3395 3.18568 -8.33363 -13.3329 TIMING: 4060200 CPU: 11799.7, 0.00290521/step Wall: 11799.7, 0.00290521/step, 0.758421 hours remaining, 208.242188 MB of memory in use. ENERGY: 4060200 735.8362 2138.0687 1936.4531 102.6392 -206190.2803 17669.9947 0.0000 0.0000 34264.9953 -149342.2932 299.2447 -183607.2885 -149242.7405 299.1757 -143.8939 -111.9481 559034.7017 11.6996 11.6597 LDB: ============= START OF LOAD BALANCING ============== 11803.2 LDB: ============== END OF LOAD BALANCING =============== 11803.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11803.2 LDB: ============= START OF LOAD BALANCING ============== 11803.5 LDB: Largest compute 4848 load 0.030345 is 25.8% of average load 0.117820 LDB: Average compute 0.001734 is 1.5% of average load 0.117820 LDB: TIME 11803.5 LOAD: AVG 0.11782 MAX 0.180349 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 211.57 MB LDB: TIME 11803.5 LOAD: AVG 0.11782 MAX 0.180349 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.773 MB LDB: TIME 11803.5 LOAD: AVG 0.11782 MAX 0.180349 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 211.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11803.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11803.5 PRESSURE: 4060400 -124.102 81.627 72.1944 81.6278 -157.908 80.5887 72.1948 80.5897 -80.2626 GPRESSURE: 4060400 -74.2991 29.8299 0.317105 95.7573 -158.466 125.501 96.9959 32.0794 -30.4288 PRESSAVG: 4060400 -27.8215 -6.40241 -23.7973 -6.40225 17.3782 60.9824 -23.7973 60.9825 0.492913 GPRESSAVG: 4060400 -27.5685 -5.98671 -25.8473 -5.49105 17.7571 61.7208 -22.4798 60.4073 0.261625 TIMING: 4060400 CPU: 11800.3, 0.00296297/step Wall: 11800.3, 0.00296297/step, 0.773335 hours remaining, 208.113281 MB of memory in use. ENERGY: 4060400 709.4636 2131.4392 1967.6564 132.3134 -205976.7020 17590.4188 0.0000 0.0000 34024.4240 -149420.9864 297.1438 -183445.4104 -149322.7814 298.5240 -120.7573 -87.7314 557830.3444 -3.3168 -3.1833 PRESSURE: 4060600 -128.312 109.447 -102.623 109.446 41.1552 -114.076 -102.625 -114.075 -24.1997 GPRESSURE: 4060600 -68.0724 63.8172 -84.2934 124.556 44.0159 -70.705 -100.238 -181.543 10.8484 PRESSAVG: 4060600 -9.78468 21.1006 57.1704 21.1006 50.3571 -32.037 57.1704 -32.037 -44.0452 GPRESSAVG: 4060600 -9.11234 19.5536 58.7338 22.6146 49.6531 -33.7068 58.6985 -28.4657 -44.1378 TIMING: 4060600 CPU: 11800.9, 0.00289415/step Wall: 11800.9, 0.00289415/step, 0.755213 hours remaining, 208.125000 MB of memory in use. ENERGY: 4060600 725.0836 2068.2631 1973.7708 104.0253 -206291.6890 17783.4527 0.0000 0.0000 34129.7413 -149507.3523 298.0635 -183637.0936 -149408.5357 298.0842 -37.1187 -4.4027 556599.2592 -1.1576 -1.1990 PRESSURE: 4060800 -44.714 -22.0983 58.9401 -22.0988 176.794 -121.224 58.939 -121.226 32.169 GPRESSURE: 4060800 19.5592 -60.827 128.822 -26.7616 153.821 -169.976 31.0583 -178.954 102.554 PRESSAVG: 4060800 -72.0578 35.307 59.1139 35.307 43.4851 -19.4799 59.1139 -19.4798 18.0679 GPRESSAVG: 4060800 -73.0148 37.6184 57.7731 31.2441 43.8207 -18.4279 59.3896 -21.3221 19.1601 TIMING: 4060800 CPU: 11801.5, 0.00289857/step Wall: 11801.5, 0.00289857/step, 0.756205 hours remaining, 208.125000 MB of memory in use. ENERGY: 4060800 767.6348 2117.8447 1949.2607 106.0289 -206614.7295 17993.0272 0.0000 0.0000 34045.6800 -149635.2532 297.3294 -183680.9332 -149538.2888 298.7128 54.7496 91.9780 557460.2254 -3.5016 -3.3447 PRESSURE: 4061000 -159.243 -154.721 104.24 -154.72 -267.248 -14.0296 104.24 -14.0294 -194.22 GPRESSURE: 4061000 -162.362 -129.337 124.722 -164.028 -230.884 -33.1827 54.9578 -76.9209 -129.927 PRESSAVG: 4061000 -35.0523 -27.8146 44.7024 -27.8146 24.1009 34.1897 44.7023 34.1898 -6.36777 GPRESSAVG: 4061000 -34.7792 -27.5762 45.3115 -23.6193 24.9031 36.4393 43.1632 33.3512 -7.47164 TIMING: 4061000 CPU: 11802.1, 0.0028812/step Wall: 11802.1, 0.0028812/step, 0.751513 hours remaining, 208.125000 MB of memory in use. ENERGY: 4061000 757.1759 2124.7610 1959.4486 103.8118 -206494.4800 17757.2311 0.0000 0.0000 34225.2684 -149566.7831 298.8978 -183792.0516 -149470.5991 298.2224 -206.9037 -174.3909 558354.2985 -5.7731 -5.7826 PRESSURE: 4061200 -79.3534 103.928 50.0864 103.928 -76.6303 -50.2074 50.0847 -50.2072 98.2869 GPRESSURE: 4061200 -35.1849 179.398 178.409 103.85 -61.5784 -129.616 15.7759 24.1132 152.113 PRESSAVG: 4061200 -12.809 -4.75309 -2.77964 -4.75306 -2.57233 46.2405 -2.77966 46.2406 25.8624 GPRESSAVG: 4061200 -11.6118 -5.21714 -1.69738 -7.55423 -3.90979 40.3773 -3.01574 49.5323 25.8733 TIMING: 4061200 CPU: 11802.6, 0.00289641/step Wall: 11802.6, 0.00289641/step, 0.755319 hours remaining, 208.125000 MB of memory in use. ENERGY: 4061200 732.0634 2105.3394 1939.0976 99.6348 -206206.0294 17746.3057 0.0000 0.0000 34148.0581 -149435.5304 298.2235 -183583.5885 -149340.2968 298.5867 -19.2322 18.4500 557713.8358 3.4937 3.4506 PRESSURE: 4061400 -113.876 -36.2483 -23.7622 -36.2471 -91.5033 -128.172 -23.7618 -128.172 -9.6279 GPRESSURE: 4061400 -122.514 7.66263 -50.1248 41.0173 -64.6115 -145.189 5.75211 11.9496 76.9344 PRESSAVG: 4061400 -35.9958 -28.6668 10.538 -28.6668 14.9526 -1.68566 10.5381 -1.6857 24.0555 GPRESSAVG: 4061400 -37.6913 -29.2512 10.4541 -29.868 15.7819 2.90377 10.9637 -5.47416 24.6774 TIMING: 4061400 CPU: 11803.2, 0.00288976/step Wall: 11803.2, 0.00288976/step, 0.753424 hours remaining, 208.125000 MB of memory in use. ENERGY: 4061400 785.5980 2077.4854 1960.4089 105.6898 -206546.4450 17863.5568 0.0000 0.0000 34478.7686 -149274.9375 301.1117 -183753.7061 -149179.6474 298.7569 -71.6690 -36.7302 556922.3260 1.0041 0.9227 PRESSURE: 4061600 -169.233 75.2751 40.4322 75.2753 -83.3823 -66.7398 40.4324 -66.7389 76.1874 GPRESSURE: 4061600 -112.191 138.648 -23.0254 -143.613 -26.5244 -2.4035 56.5462 -51.7437 55.9622 PRESSAVG: 4061600 24.9357 -19.1677 -39.4268 -19.1677 23.1959 17.7532 -39.4268 17.7532 -7.2556 GPRESSAVG: 4061600 25.8274 -19.6018 -41.3244 -17.5078 22.934 16.7384 -37.4591 20.265 -8.30275 TIMING: 4061600 CPU: 11803.8, 0.00288862/step Wall: 11803.8, 0.00288862/step, 0.752968 hours remaining, 208.125000 MB of memory in use. ENERGY: 4061600 783.5283 2077.6564 1977.8893 110.7274 -206487.0957 18028.1150 0.0000 0.0000 34183.4883 -149325.6909 298.5329 -183509.1793 -149229.0671 299.3066 -58.8093 -27.5844 558225.0182 13.6253 13.4862 PRESSURE: 4061800 -77.6994 -168.662 135.569 -168.661 180.752 190.417 135.568 190.418 5.38518 GPRESSURE: 4061800 -43.1346 -114.817 34.3704 -239.403 233.025 227.191 151.981 57.6195 11.0101 PRESSAVG: 4061800 39.3668 -18.0191 17.6336 -18.0191 -30.5961 -50.3036 17.6336 -50.3036 -54.024 GPRESSAVG: 4061800 39.4459 -18.6619 18.6074 -17.6795 -30.3486 -49.126 15.3534 -53.1449 -54.4169 TIMING: 4061800 CPU: 11804.4, 0.00290247/step Wall: 11804.4, 0.00290247/step, 0.756416 hours remaining, 208.125000 MB of memory in use. ENERGY: 4061800 748.6707 2027.8890 1982.9630 108.3246 -206256.1354 17951.2697 0.0000 0.0000 34078.1292 -149358.8892 297.6128 -183437.0184 -149262.8280 298.9778 36.1461 66.9669 556866.8085 -15.0844 -15.1065 PRESSURE: 4062000 -215.776 -32.9177 -140.983 -32.9188 -239.768 6.58574 -140.982 6.58581 -118.047 GPRESSURE: 4062000 -235.83 -13.9956 -62.1138 -77.8002 -160.606 -95.6651 -182.684 -2.97658 -87.9594 PRESSAVG: 4062000 49.8685 -28.6468 28.2335 -28.6469 -20.0801 54.92 28.2334 54.9199 -32.2345 GPRESSAVG: 4062000 48.6528 -27.417 26.6068 -30.1344 -18.8827 54.0381 29.4508 57.13 -31.859 TIMING: 4062000 CPU: 11804.9, 0.00290763/step Wall: 11804.9, 0.00290763/step, 0.7576 hours remaining, 208.125000 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: 4062000 787.5311 2078.1778 1960.1165 112.1747 -205969.6116 17683.8931 0.0000 0.0000 33976.1861 -149371.5324 296.7225 -183347.7184 -149274.3046 299.0156 -191.1973 -161.4650 557387.9678 -0.8154 -0.6963 PRESSURE: 4062200 -126.876 54.204 0.809399 54.2046 -274.043 -171.459 0.809179 -171.459 -143.163 GPRESSURE: 4062200 -67.436 18.6434 -0.345833 72.4881 -235.502 -198.229 46.1148 -144.197 -144.617 PRESSAVG: 4062200 -13.754 -23.3878 -19.5786 -23.3878 13.9267 -60.4114 -19.5786 -60.4113 16.5537 GPRESSAVG: 4062200 -12.1545 -24.0273 -20.2505 -21.8921 12.6752 -61.6182 -20.1451 -59.3672 16.2848 TIMING: 4062200 CPU: 11805.5, 0.00292129/step Wall: 11805.5, 0.00292129/step, 0.760995 hours remaining, 208.125000 MB of memory in use. ENERGY: 4062200 755.5364 2080.8817 1959.1690 112.7730 -206425.0528 17749.8993 0.0000 0.0000 34341.0876 -149425.7058 299.9093 -183766.7934 -149325.8097 299.0187 -181.3609 -149.1851 557391.4004 5.5755 5.6018 PRESSURE: 4062400 182.196 -26.7913 3.11805 -26.791 101.14 32.8634 3.11874 32.8621 125.918 GPRESSURE: 4062400 173.024 77.1497 -29.7463 -47.0282 112.883 47.3321 -21.0738 6.35392 230.83 PRESSAVG: 4062400 -47.4916 -5.19552 -41.1829 -5.19549 55.8546 -34.521 -41.1829 -34.5208 5.23645 GPRESSAVG: 4062400 -48.8588 -2.30334 -39.1935 -6.52996 55.3844 -34.2742 -41.2694 -34.8529 7.03402 TIMING: 4062400 CPU: 11806.1, 0.00292215/step Wall: 11806.1, 0.00292215/step, 0.761058 hours remaining, 208.125000 MB of memory in use. ENERGY: 4062400 741.8315 2078.1823 1946.6010 100.1712 -206873.9936 18234.1531 0.0000 0.0000 34169.8238 -149603.2307 298.4136 -183773.0545 -149498.9641 298.1464 136.4177 172.2460 556481.7750 4.5332 4.5199 PRESSURE: 4062600 359.793 -47.8709 81.325 -47.8703 96.0751 -103.837 81.3253 -103.836 12.1268 GPRESSURE: 4062600 353.758 -76.5244 -20.521 -74.0117 103.154 -47.6375 117.987 -127.329 91.6707 PRESSAVG: 4062600 -19.7013 -29.5895 -23.8823 -29.5895 2.97152 5.45749 -23.8822 5.45744 56.5091 GPRESSAVG: 4062600 -17.8864 -33.1282 -23.7174 -28.7191 3.0161 7.30286 -24.8273 4.76978 54.7681 TIMING: 4062600 CPU: 11806.7, 0.00289814/step Wall: 11806.7, 0.00289814/step, 0.754644 hours remaining, 208.328125 MB of memory in use. ENERGY: 4062600 733.5015 2085.4229 1964.3688 110.6699 -206557.1751 17900.9571 0.0000 0.0000 34175.6194 -149586.6356 298.4642 -183762.2549 -149491.3349 298.6856 155.9984 182.8608 555624.1750 13.2598 13.2993 PRESSURE: 4062800 -19.8253 -82.0516 -42.5147 -82.0504 -184.486 131.015 -42.515 131.016 135.519 GPRESSURE: 4062800 10.3075 7.45059 -74.0129 -58.3692 -166.42 110.389 -37.105 48.2846 195.625 PRESSAVG: 4062800 -42.4669 -42.7127 -23.1732 -42.7127 -18.7924 -3.51755 -23.1733 -3.51754 104.132 GPRESSAVG: 4062800 -42.1562 -41.9959 -21.9294 -42.1203 -18.7943 -5.78725 -22.9556 -3.13023 104.351 TIMING: 4062800 CPU: 11807.3, 0.00289178/step Wall: 11807.3, 0.00289178/step, 0.752827 hours remaining, 208.531250 MB of memory in use. ENERGY: 4062800 734.8652 2143.9449 1988.3168 117.7561 -206395.2735 17808.3202 0.0000 0.0000 34018.9790 -149583.0913 297.0962 -183602.0703 -149493.9964 297.5636 -22.9310 13.1710 558306.5880 14.2910 14.4669 PRESSURE: 4063000 9.07705 -3.67464 -28.9629 -3.67501 -49.2137 50.9261 -28.9635 50.9248 -134.78 GPRESSURE: 4063000 3.42291 -131.208 -32.9871 103.048 -34.9775 -21.4844 -5.38037 107.037 -58.986 PRESSAVG: 4063000 -43.8172 -3.55475 -47.882 -3.55478 -24.2364 -21.1254 -47.8821 -21.1255 93.9913 GPRESSAVG: 4063000 -45.3403 -4.68196 -49.1493 -3.47344 -23.8549 -19.8009 -44.8288 -21.3268 94.7722 TIMING: 4063000 CPU: 11807.9, 0.00290352/step Wall: 11807.9, 0.00290352/step, 0.755723 hours remaining, 208.531250 MB of memory in use. ENERGY: 4063000 759.7774 2120.6261 1961.4738 119.1178 -206395.4731 17803.5474 0.0000 0.0000 33921.9126 -149709.0179 296.2485 -183630.9305 -149615.6464 297.8387 -58.3054 -30.1802 555886.7343 8.6459 8.5257 PRESSURE: 4063200 130.818 97.9781 -118.806 97.9768 23.8642 -204.073 -118.807 -204.073 60.9665 GPRESSURE: 4063200 139.697 39.1746 -113.002 114.566 63.3056 -212.358 -92.911 -190.814 101.302 PRESSAVG: 4063200 2.10644 10.2215 41.8762 10.2215 -100.832 -45.9074 41.8762 -45.9073 90.0113 GPRESSAVG: 4063200 2.16671 11.8603 41.7912 9.83049 -100.993 -47.5908 39.0599 -44.7053 89.7013 TIMING: 4063200 CPU: 11808.4, 0.00291002/step Wall: 11808.4, 0.00291002/step, 0.757252 hours remaining, 208.531250 MB of memory in use. ENERGY: 4063200 736.5178 2086.6413 1954.5911 118.7862 -206559.2547 17813.0595 0.0000 0.0000 34211.1950 -149638.4638 298.7749 -183849.6587 -149545.6736 297.7777 71.8830 101.4351 554807.3306 -2.9048 -3.0417 PRESSURE: 4063400 -112.386 57.6645 53.4732 57.663 -324.391 -45.0488 53.4724 -45.0472 225.129 GPRESSURE: 4063400 -99.858 36.5266 89.4183 66.5186 -309.407 -39.3315 167.004 -106.013 303.655 PRESSAVG: 4063400 25.9795 29.7842 -28.8747 29.7842 -51.4933 -35.2144 -28.8746 -35.2146 57.2362 GPRESSAVG: 4063400 25.405 28.2145 -27.2373 28.4204 -50.7389 -34.4373 -27.0017 -35.3518 57.0631 TIMING: 4063400 CPU: 11809, 0.00290367/step Wall: 11809, 0.00290367/step, 0.755439 hours remaining, 208.531250 MB of memory in use. ENERGY: 4063400 742.8992 2069.8087 1982.1508 114.5037 -206576.4413 17802.6346 0.0000 0.0000 34390.8669 -149473.5775 300.3440 -183864.4444 -149375.5254 298.4005 -70.5495 -35.2034 555385.5147 10.5741 10.5764 PRESSURE: 4063600 142.377 84.1549 40.0815 84.1545 -44.1728 71.9171 40.0817 71.9178 -220.128 GPRESSURE: 4063600 170.58 -0.603068 -9.50935 162.51 11.6712 103.486 158.612 9.6989 -205.028 PRESSAVG: 4063600 -46.0718 -36.7546 41.9949 -36.7545 -25.0054 -40.4595 41.9948 -40.4596 58.25 GPRESSAVG: 4063600 -46.3206 -37.7703 41.8506 -35.9935 -25.388 -39.9896 42.2769 -39.7544 58.81 TIMING: 4063600 CPU: 11809.6, 0.00293341/step Wall: 11809.6, 0.00293341/step, 0.763012 hours remaining, 208.531250 MB of memory in use. ENERGY: 4063600 737.5812 2044.2133 1954.5930 106.0733 -206453.0331 17788.5589 0.0000 0.0000 34146.2571 -149675.7563 298.2078 -183822.0134 -149580.8981 298.1712 -40.6410 -7.5925 556389.0658 -4.2757 -4.2995 PRESSURE: 4063800 189.113 -38.6576 158.71 -38.6578 100.198 74.4502 158.709 74.4509 3.14637 GPRESSURE: 4063800 258.438 -12.5904 90.5123 2.45258 152.739 40.5984 139.612 100.297 -26.9359 PRESSAVG: 4063800 36.1381 -58.6037 21.6226 -58.6038 83.0467 -43.8743 21.6226 -43.8743 -78.1508 GPRESSAVG: 4063800 37.7739 -56.7929 23.8785 -59.2693 82.4724 -44.0261 18.6466 -45.6938 -79.1789 TIMING: 4063800 CPU: 11810.2, 0.00292129/step Wall: 11810.2, 0.00292129/step, 0.759698 hours remaining, 208.531250 MB of memory in use. ENERGY: 4063800 771.4106 2103.1579 1939.9658 123.8643 -206725.6168 18103.7274 0.0000 0.0000 33873.9638 -149809.5271 295.8298 -183683.4909 -149721.4707 297.9294 97.4859 128.0806 554805.9312 13.6780 13.6891 PRESSURE: 4064000 -196.594 21.0496 61.6283 21.0506 -74.5926 -127.435 61.6266 -127.437 28.165 GPRESSURE: 4064000 -151.053 -63.7662 52.4145 66.9132 -57.3369 -116.697 -2.50932 -182.202 58.7139 PRESSAVG: 4064000 17.2266 11.6211 -3.60684 11.6211 11.7053 -18.0143 -3.6069 -18.0142 -38.4508 GPRESSAVG: 4064000 16.297 11.5102 -8.17156 12.6336 13.009 -16.602 -1.45575 -19.8994 -38.9993 TIMING: 4064000 CPU: 11810.8, 0.00289155/step Wall: 11810.8, 0.00289155/step, 0.751802 hours remaining, 208.531250 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: 4064000 768.3183 2116.9719 1919.8563 109.1310 -206357.5030 17757.1720 0.0000 0.0000 34056.3750 -149629.6785 297.4228 -183686.0535 -149534.2336 298.3189 -81.0072 -49.8919 557158.4421 -3.1730 -3.2311 PRESSURE: 4064200 211.333 88.272 263.079 88.2702 117.022 -23.8055 263.079 -23.8049 22.991 GPRESSURE: 4064200 230.163 31.7038 222.776 119.308 166.912 -24.8563 188.988 16.9964 33.5938 PRESSAVG: 4064200 9.64945 -6.74957 -8.97138 -6.74961 6.10493 15.3204 -8.97136 15.3203 -4.25685 GPRESSAVG: 4064200 10.6818 -7.7695 -6.2391 -6.72044 4.33614 12.5788 -9.89068 18.7396 -3.66788 TIMING: 4064200 CPU: 11811.4, 0.00291604/step Wall: 11811.4, 0.00291604/step, 0.75801 hours remaining, 208.531250 MB of memory in use. ENERGY: 4064200 751.2821 2089.2902 1961.9052 117.9052 -206751.1186 17961.7239 0.0000 0.0000 34495.9422 -149373.0698 301.2616 -183869.0120 -149272.5710 298.9376 117.1151 143.5561 556774.4772 3.8325 3.7834 LDB: ============= START OF LOAD BALANCING ============== 11814.8 LDB: ============== END OF LOAD BALANCING =============== 11814.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11814.8 LDB: ============= START OF LOAD BALANCING ============== 11815.1 LDB: Largest compute 4848 load 0.029877 is 25.4% of average load 0.117815 LDB: Average compute 0.001731 is 1.5% of average load 0.117815 LDB: TIME 11815.1 LOAD: AVG 0.117815 MAX 0.182409 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.406 MB LDB: TIME 11815.1 LOAD: AVG 0.117815 MAX 0.182409 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.477 MB LDB: TIME 11815.1 LOAD: AVG 0.117815 MAX 0.182409 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.477 MB LDB: ============== END OF LOAD BALANCING =============== 11815.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11815.1 PRESSURE: 4064400 -106.583 26.1139 71.4141 26.114 -257.058 -22.5789 71.4143 -22.5791 -214.598 GPRESSURE: 4064400 -75.7724 5.34492 112.034 54.748 -203.002 18.4433 72.5362 -106.828 -208.961 PRESSAVG: 4064400 8.31215 -42.3004 22.1167 -42.3005 -17.1978 -22.5231 22.1168 -22.523 0.911332 GPRESSAVG: 4064400 7.20415 -39.688 20.6834 -42.4616 -17.0143 -19.0493 23.6925 -24.9033 1.54192 TIMING: 4064400 CPU: 11811.9, 0.00296605/step Wall: 11811.9, 0.00296605/step, 0.770842 hours remaining, 208.574219 MB of memory in use. ENERGY: 4064400 734.3972 2085.5226 1974.3735 111.8782 -205797.6786 17445.7323 0.0000 0.0000 34117.8851 -149327.8898 297.9600 -183445.7749 -149230.2891 299.0249 -192.7463 -162.5784 558048.6174 -2.6581 -2.7561 PRESSURE: 4064600 110.798 52.3805 13.4595 52.3801 -26.45 92.6747 13.4595 92.6738 166.733 GPRESSURE: 4064600 141.685 60.2712 -39.9726 50.5696 59.1131 153.23 74.2527 42.9385 133.856 PRESSAVG: 4064600 -4.07721 11.9941 -23.2045 11.9942 17.0586 14.2904 -23.2046 14.2903 29.7968 GPRESSAVG: 4064600 -3.39417 11.6628 -23.8562 10.7198 17.2413 12.2959 -23.7535 17.3254 28.2921 TIMING: 4064600 CPU: 11812.5, 0.002888/step Wall: 11812.5, 0.002888/step, 0.750399 hours remaining, 208.644531 MB of memory in use. ENERGY: 4064600 723.4097 2075.1471 1953.5241 116.8637 -206514.3971 18053.0283 0.0000 0.0000 34284.5361 -149307.8880 299.4154 -183592.4241 -149216.7432 300.3779 83.6939 111.5514 557449.6460 14.2594 14.0464 PRESSURE: 4064800 -307.174 -19.3968 -195.076 -19.3965 -327.07 -83.2731 -195.076 -83.2754 -194.645 GPRESSURE: 4064800 -269.219 -23.1541 -138.989 -20.1504 -268.283 3.27481 -173.547 -106.052 -192.917 PRESSAVG: 4064800 36.3342 52.2193 -27.4738 52.2193 -7.52321 -3.75375 -27.4737 -3.75369 -10.1253 GPRESSAVG: 4064800 36.0826 50.8445 -26.1537 52.9952 -7.61328 -3.27149 -29.8882 -3.43618 -9.14342 TIMING: 4064800 CPU: 11813.1, 0.00289725/step Wall: 11813.1, 0.00289725/step, 0.752642 hours remaining, 208.644531 MB of memory in use. ENERGY: 4064800 763.2325 2050.4937 1958.5212 109.9893 -206000.0703 17573.2804 0.0000 0.0000 34193.6858 -149350.8674 298.6220 -183544.5532 -149252.6548 298.6682 -276.2966 -243.4729 558817.0008 6.2286 6.4420 PRESSURE: 4065000 92.8959 -33.1531 -88.8746 -33.1538 -53.1221 -27.3359 -88.8736 -27.336 -236.662 GPRESSURE: 4065000 113.6 -2.78134 -90.3654 57.7078 -64.1261 -25.9221 -46.4789 -29.7527 -157.078 PRESSAVG: 4065000 -15.2825 -9.63807 -19.7365 -9.6381 -40.1154 -54.812 -19.7365 -54.812 21.7817 GPRESSAVG: 4065000 -15.0306 -9.20634 -21.3927 -10.0547 -39.3462 -53.6787 -16.5348 -56.7148 20.9518 TIMING: 4065000 CPU: 11813.7, 0.0029422/step Wall: 11813.7, 0.0029422/step, 0.764154 hours remaining, 208.644531 MB of memory in use. ENERGY: 4065000 708.3609 2141.2971 1954.8815 120.2776 -206272.4884 17903.7573 0.0000 0.0000 34332.3727 -149111.5412 299.8331 -183443.9139 -149010.1245 299.0960 -65.6295 -35.8680 558182.8683 -11.2054 -11.1417 PRESSURE: 4065200 -254.443 -182.606 -53.5787 -182.606 -298.809 -123.653 -53.5779 -123.651 102.32 GPRESSURE: 4065200 -237.426 -128.577 -144.632 -167.933 -261.585 -90.8859 -63.7589 -83.2361 151.213 PRESSAVG: 4065200 -10.9798 3.83352 -10.3975 3.83346 -44.2918 -20.495 -10.3976 -20.4952 53.7662 GPRESSAVG: 4065200 -10.2815 2.62471 -9.91602 4.09067 -45.1203 -20.8745 -9.97325 -20.1479 53.8051 TIMING: 4065200 CPU: 11814.3, 0.00291117/step Wall: 11814.3, 0.00291117/step, 0.755933 hours remaining, 208.644531 MB of memory in use. ENERGY: 4065200 767.9385 2068.1462 1937.4204 106.7620 -206010.8317 17783.4253 0.0000 0.0000 34095.2238 -149251.9154 297.7621 -183347.1393 -149158.2994 299.4601 -150.3107 -115.9331 560000.7263 -0.5018 -0.5323 PRESSURE: 4065400 -154.022 -12.4427 -142.146 -12.4417 -41.6801 -24.5352 -142.145 -24.5358 76.1554 GPRESSURE: 4065400 -110.407 -49.4711 -67.331 36.3245 -33.1144 -67.1514 -77.204 -43.9372 114.065 PRESSAVG: 4065400 -32.7422 22.8344 -10.5676 22.8345 0.555177 -19.664 -10.5676 -19.664 34.6868 GPRESSAVG: 4065400 -33.241 22.9 -9.21977 23.1491 -0.425907 -20.6283 -13.4108 -19.5638 36.3599 TIMING: 4065400 CPU: 11814.9, 0.00289056/step Wall: 11814.9, 0.00289056/step, 0.750423 hours remaining, 208.644531 MB of memory in use. ENERGY: 4065400 751.0986 2083.4402 1952.1746 114.1957 -206033.7307 17767.2022 0.0000 0.0000 34425.3440 -148940.2755 300.6451 -183365.6194 -148840.6108 300.1953 -39.8489 -9.8186 558914.0073 0.8333 0.8977 PRESSURE: 4065600 -146.91 -78.8544 -131.877 -78.8537 -282.744 -112.016 -131.877 -112.019 74.7638 GPRESSURE: 4065600 -127.429 -91.8528 -173.985 -21.0581 -262.06 -142.226 -22.2822 -169.783 135.34 PRESSAVG: 4065600 27.538 47.6442 -12.7634 47.6442 -29.261 36.0656 -12.7635 36.0656 20.5044 GPRESSAVG: 4065600 27.799 47.8569 -14.9588 48.3504 -27.709 33.6019 -11.9232 37.4035 18.7107 TIMING: 4065600 CPU: 11815.4, 0.00290211/step Wall: 11815.4, 0.00290211/step, 0.753259 hours remaining, 208.644531 MB of memory in use. ENERGY: 4065600 774.1028 2019.2417 1974.6979 104.0584 -205909.6440 17754.1739 0.0000 0.0000 34385.9868 -148897.3825 300.3014 -183283.3693 -148795.9708 299.8460 -118.2965 -84.7164 559616.9577 6.2605 6.2669 PRESSURE: 4065800 -17.5122 41.6375 -91.2369 41.6376 93.9526 32.6266 -91.2368 32.625 190.784 GPRESSURE: 4065800 67.4641 0.064605 -100.267 109.256 143.85 -17.5622 -47.245 23.5662 140.307 PRESSAVG: 4065800 3.37895 -0.568023 -26.1787 -0.568019 10.9824 -25.2459 -26.1787 -25.2458 -41.444 GPRESSAVG: 4065800 3.19212 -0.260705 -23.5645 -0.0515752 10.7322 -25.708 -26.5128 -27.0672 -41.38 TIMING: 4065800 CPU: 11816, 0.00292112/step Wall: 11816, 0.00292112/step, 0.758032 hours remaining, 208.769531 MB of memory in use. ENERGY: 4065800 760.9410 2061.3514 1968.1283 100.1606 -206326.7243 18094.3524 0.0000 0.0000 34343.2957 -148998.4950 299.9285 -183341.7907 -148905.2851 299.7131 89.0749 117.2070 557554.1920 -9.0276 -9.1519 PRESSURE: 4066000 -98.0224 135.948 -84.6198 135.949 -43.5366 44.5304 -84.6201 44.5315 -234.47 GPRESSURE: 4066000 -119.219 76.2531 -164.432 185.391 4.02809 188.79 -58.6528 -26.9695 -179.968 PRESSAVG: 4066000 34.0026 52.3222 -53.1109 52.3222 2.57782 2.80872 -53.1109 2.80859 -33.5891 GPRESSAVG: 4066000 31.6982 52.9076 -54.0906 51.0186 4.49727 3.73299 -53.2248 3.79351 -33.2491 TIMING: 4066000 CPU: 11816.6, 0.00292391/step Wall: 11816.6, 0.00292391/step, 0.758591 hours remaining, 208.769531 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: 4066000 749.4861 2100.2424 1979.4114 107.4423 -205687.6316 17506.9304 0.0000 0.0000 34423.8090 -148820.3100 300.6317 -183244.1190 -148728.1778 299.8381 -125.3428 -98.3863 558469.1034 0.9971 0.9821 PRESSURE: 4066200 -399.569 -57.3543 -9.94368 -57.355 -160.314 -64.1781 -9.94463 -64.179 -14.8061 GPRESSURE: 4066200 -305.11 59.2052 -90.7798 -117.339 -191.356 -19.4 61.6544 -68.0185 6.04283 PRESSAVG: 4066200 9.81648 45.2214 -38.4598 45.2214 -14.5199 -10.2625 -38.46 -10.2625 -0.427215 GPRESSAVG: 4066200 11.843 45.529 -38.7186 45.0859 -15.3123 -9.9054 -36.2814 -11.168 -0.957932 TIMING: 4066200 CPU: 11817.2, 0.00291144/step Wall: 11817.2, 0.00291144/step, 0.755194 hours remaining, 208.769531 MB of memory in use. ENERGY: 4066200 763.7243 2085.8271 1974.2227 108.3085 -205926.6098 17642.9832 0.0000 0.0000 34425.0367 -148926.5072 300.6424 -183351.5439 -148830.2099 299.7981 -191.5631 -163.4745 558713.2542 -1.7102 -1.4757 PRESSURE: 4066400 231.561 84.9573 -15.5887 84.9574 -14.8534 6.88102 -15.5887 6.8814 52.0634 GPRESSURE: 4066400 203.587 44.7671 4.5713 103.266 11.2267 12.9034 -45.5852 13.0176 148.297 PRESSAVG: 4066400 39.5443 51.9077 29.8143 51.9078 -41.6617 17.751 29.8144 17.751 8.14824 GPRESSAVG: 4066400 39.3502 52.6621 30.0815 51.4424 -41.4943 15.3422 27.8517 19.3628 7.81092 TIMING: 4066400 CPU: 11817.8, 0.00291207/step Wall: 11817.8, 0.00291207/step, 0.755196 hours remaining, 208.769531 MB of memory in use. ENERGY: 4066400 732.5687 2095.6518 1962.9819 108.8673 -206075.0134 17983.1998 0.0000 0.0000 34280.2797 -148911.4640 299.3782 -183191.7438 -148818.2846 300.6491 89.5902 121.0372 559918.9935 2.0103 1.8889 PRESSURE: 4066600 -80.2108 7.97834 119.057 7.97858 85.1448 56.7381 119.058 56.7363 115.049 GPRESSURE: 4066600 29.5867 -36.2327 123.218 53.6624 78.6278 108.887 13.6091 53.4434 97.5793 PRESSAVG: 4066600 -51.2269 -12.9732 17.2115 -12.9733 41.9371 -4.17294 17.2117 -4.17294 4.28324 GPRESSAVG: 4066600 -51.2289 -13.9379 16.2776 -12.7076 41.8494 -2.14723 15.2638 -5.60567 3.87104 TIMING: 4066600 CPU: 11818.3, 0.00292186/step Wall: 11818.3, 0.00292186/step, 0.757573 hours remaining, 208.769531 MB of memory in use. ENERGY: 4066600 712.8327 2118.1171 1960.6088 105.7643 -206042.3446 17821.5883 0.0000 0.0000 34547.8409 -148775.5925 301.7149 -183323.4333 -148680.3259 300.1213 39.9944 68.5979 559542.1352 -1.6688 -1.8362 PRESSURE: 4066800 -106.451 42.9161 0.687843 42.9158 -174.823 149.797 0.689127 149.797 270.169 GPRESSURE: 4066800 -113.945 65.6908 -9.4209 137.252 -121.037 136.722 -44.851 166.722 332.023 PRESSAVG: 4066800 -62.2874 13.391 10.0064 13.391 -5.62343 39.6583 10.0064 39.6583 54.7991 GPRESSAVG: 4066800 -62.6733 12.5613 10.1477 15.1686 -5.26352 38.9968 12.9252 40.3778 54.8617 TIMING: 4066800 CPU: 11818.9, 0.00293824/step Wall: 11818.9, 0.00293824/step, 0.761657 hours remaining, 208.769531 MB of memory in use. ENERGY: 4066800 708.3918 2103.0883 1960.9104 109.0773 -205590.0527 17679.3203 0.0000 0.0000 34334.8525 -148694.4121 299.8548 -183029.2646 -148595.7164 300.2439 -3.7017 32.3469 561202.3973 -4.3706 -4.3584 PRESSURE: 4067000 -101.245 54.1642 68.6009 54.1647 -166.551 59.9188 68.5978 59.9188 -23.4212 GPRESSURE: 4067000 -91.2097 17.8328 41.6713 11.714 -124.118 53.167 32.4542 134.07 7.83425 PRESSAVG: 4067000 -85.5176 -3.20656 -47.0902 -3.20652 -51.8097 25.2414 -47.0901 25.2414 91.059 GPRESSAVG: 4067000 -85.801 -2.1366 -45.1048 -4.87213 -53.2305 23.6849 -48.6734 24.0689 92.4699 TIMING: 4067000 CPU: 11819.5, 0.00291919/step Wall: 11819.5, 0.00291919/step, 0.756558 hours remaining, 208.769531 MB of memory in use. ENERGY: 4067000 740.5320 2058.1977 1949.6199 112.0903 -205937.1919 17719.4639 0.0000 0.0000 34585.5535 -148771.7345 302.0442 -183357.2880 -148667.6183 300.5084 -97.0721 -69.1646 561360.2684 -15.4228 -15.5205 PRESSURE: 4067200 189.49 -73.2689 -147.028 -73.2678 118.001 50.991 -147.028 50.9908 174.833 GPRESSURE: 4067200 259.101 -147.949 -154.504 -28.4725 119.099 111.189 -94.5401 5.87932 187.847 PRESSAVG: 4067200 -77.6889 23.3415 -28.6799 23.3415 35.7478 73.7853 -28.68 73.7852 35.4885 GPRESSAVG: 4067200 -76.3794 25.3711 -33.1184 22.6614 35.1279 78.2038 -25.8222 73.3409 35.7937 TIMING: 4067200 CPU: 11820.1, 0.00291324/step Wall: 11820.1, 0.00291324/step, 0.754852 hours remaining, 208.769531 MB of memory in use. ENERGY: 4067200 732.0598 2098.9405 1971.7716 109.6928 -206143.5254 18079.9706 0.0000 0.0000 34477.6503 -148673.4397 301.1019 -183151.0901 -148578.9374 300.9843 160.7746 188.6824 560865.8220 -2.1509 -1.8193 PRESSURE: 4067400 -266.192 -104.715 -57.0816 -104.714 -26.9076 100.098 -57.0809 100.098 -148.921 GPRESSURE: 4067400 -295.972 -47.6447 -53.8818 -84.4491 37.2997 65.2784 -116.199 102.388 -80.597 PRESSAVG: 4067400 -25.2434 -4.30988 -12.0756 -4.30986 1.61108 33.4613 -12.0756 33.4614 54.7994 GPRESSAVG: 4067400 -26.2574 -5.79008 -8.51027 -2.21765 2.74864 30.145 -14.5716 35.5339 54.6775 TIMING: 4067400 CPU: 11820.7, 0.00290045/step Wall: 11820.7, 0.00290045/step, 0.751377 hours remaining, 208.769531 MB of memory in use. ENERGY: 4067400 741.7482 2081.6673 1918.7170 113.5441 -205493.4473 17594.4548 0.0000 0.0000 34343.5165 -148699.7993 299.9305 -183043.3158 -148603.5140 300.8619 -147.3402 -113.0897 560545.8454 10.3890 10.3896 PRESSURE: 4067600 -199.497 20.7343 -4.6662 20.7353 -239.008 -8.41551 -4.66578 -8.41533 -517.828 GPRESSURE: 4067600 -189.309 51.2731 37.1663 1.20055 -163.409 57.973 -113.016 -7.06147 -500.252 PRESSAVG: 4067600 -38.2686 -18.1762 -62.4372 -18.1762 37.0629 -7.99881 -62.4372 -7.99888 -6.65429 GPRESSAVG: 4067600 -38.0469 -20.1643 -64.1421 -18.0386 38.3999 -7.48939 -62.684 -8.42143 -7.9842 TIMING: 4067600 CPU: 11821.3, 0.00292771/step Wall: 11821.3, 0.00292772/step, 0.758278 hours remaining, 208.769531 MB of memory in use. ENERGY: 4067600 755.2279 2083.8604 1990.4788 113.8110 -205410.8640 17357.8899 0.0000 0.0000 34495.4838 -148614.1123 301.2576 -183109.5960 -148514.7444 300.4758 -318.7777 -284.3231 560476.8328 -2.6200 -2.5437 PRESSURE: 4067800 -249.584 -38.8603 -0.885354 -38.8603 -93.987 -20.6198 -0.885782 -20.6188 -32.3223 GPRESSURE: 4067800 -183.611 -95.0132 10.1399 34.9841 -35.4978 -84.3873 110.339 17.4078 -45.088 PRESSAVG: 4067800 6.72437 13.2631 -42.3309 13.2631 -42.7161 12.6742 -42.3308 12.6743 31.0845 GPRESSAVG: 4067800 6.38353 15.0812 -40.0569 10.4358 -43.3866 11.6093 -43.7363 11.26 32.4182 TIMING: 4067800 CPU: 11821.8, 0.00290162/step Wall: 11821.8, 0.00290162/step, 0.751358 hours remaining, 209.011719 MB of memory in use. ENERGY: 4067800 741.0940 2082.5371 1977.9854 125.5489 -205668.5299 17572.1989 0.0000 0.0000 34485.1959 -148683.9696 301.1678 -183169.1655 -148585.0056 300.9509 -125.2978 -88.0657 559804.4504 -1.6358 -1.5283 PRESSURE: 4068000 41.565 138.645 29.2012 138.644 44.1912 59.228 29.2014 59.2274 223.003 GPRESSURE: 4068000 112.729 156.598 -57.9238 94.7521 40.5863 -3.25598 75.2992 43.1088 258.404 PRESSAVG: 4068000 1.31584 38.9389 25.5248 38.9389 -21.0292 81.0016 25.5248 81.0016 -0.261673 GPRESSAVG: 4068000 2.62184 39.0869 23.6979 40.3707 -21.6407 81.9447 26.2002 81.9308 -0.770806 TIMING: 4068000 CPU: 11822.4, 0.00291038/step Wall: 11822.4, 0.00291038/step, 0.753465 hours remaining, 209.011719 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: 4068000 738.5625 2120.1850 1959.6815 117.1297 -205893.4606 17800.5158 0.0000 0.0000 34450.1615 -148707.2246 300.8618 -183157.3861 -148616.2848 301.0804 102.9198 137.2398 558491.0176 -6.6583 -6.5965 PRESSURE: 4068200 355.117 36.7803 -187.649 36.78 110.269 123.587 -187.649 123.586 -29.2054 GPRESSURE: 4068200 334.198 69.7535 -121.997 77.6954 160.628 116.011 -172.03 190.317 24.8602 PRESSAVG: 4068200 46.5097 14.683 -7.47266 14.683 -109.578 104.341 -7.47274 104.341 32.6254 GPRESSAVG: 4068200 44.4994 14.787 -8.04663 15.3041 -109.083 104.43 -6.07584 106.131 34.4523 TIMING: 4068200 CPU: 11823, 0.00291568/step Wall: 11823, 0.00291568/step, 0.754674 hours remaining, 209.011719 MB of memory in use. ENERGY: 4068200 735.5064 2094.3446 1966.9792 111.5374 -206109.5237 17983.6917 0.0000 0.0000 34502.0106 -148715.4539 301.3146 -183217.4645 -148616.0286 300.5586 145.3936 173.2289 557117.3206 -10.1475 -10.0439 LDB: ============= START OF LOAD BALANCING ============== 11826.5 LDB: ============== END OF LOAD BALANCING =============== 11826.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11826.5 LDB: ============= START OF LOAD BALANCING ============== 11826.8 LDB: Largest compute 4848 load 0.030809 is 26.2% of average load 0.117755 LDB: Average compute 0.001733 is 1.5% of average load 0.117755 LDB: TIME 11826.8 LOAD: AVG 0.117755 MAX 0.180293 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.117 MB LDB: TIME 11826.8 LOAD: AVG 0.117755 MAX 0.180293 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: TIME 11826.8 LOAD: AVG 0.117755 MAX 0.180293 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11826.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11826.8 PRESSURE: 4068400 232.243 44.0202 -47.8927 44.021 156.053 -119.103 -47.8923 -119.102 190.854 GPRESSURE: 4068400 241.285 56.9442 -69.3519 -14.1848 154.522 -103.5 -30.6625 -159.644 270.658 PRESSAVG: 4068400 9.73021 6.57087 33.1175 6.5709 -8.30013 -2.07838 33.1175 -2.07836 21.753 GPRESSAVG: 4068400 10.5297 6.89465 34.5282 3.83298 -9.06839 -2.33046 32.3081 -3.30753 21.1588 TIMING: 4068400 CPU: 11823.6, 0.00297036/step Wall: 11823.6, 0.00297036/step, 0.768664 hours remaining, 207.355469 MB of memory in use. ENERGY: 4068400 745.2185 2078.4758 1972.9942 103.5402 -206210.3041 18045.9240 0.0000 0.0000 34506.1564 -148757.9950 301.3508 -183264.1514 -148661.1027 300.3087 193.0498 222.1554 556630.1789 7.7277 7.5400 PRESSURE: 4068600 -238.288 56.1341 0.551951 56.134 -42.2966 40.759 0.550509 40.7612 -24.9062 GPRESSURE: 4068600 -207.783 101.028 -10.0049 -12.3217 47.374 17.6244 -17.1177 -32.8707 -62.4892 PRESSAVG: 4068600 21.6019 -13.4193 38.6414 -13.4193 -90.9968 0.772425 38.6414 0.772338 37.1222 GPRESSAVG: 4068600 21.3163 -13.6785 39.4373 -12.1788 -90.3431 2.47539 36.5944 -0.403951 36.933 TIMING: 4068600 CPU: 11824.2, 0.00291579/step Wall: 11824.2, 0.00291579/step, 0.754381 hours remaining, 207.597656 MB of memory in use. ENERGY: 4068600 736.7290 2104.6916 1937.1248 99.7792 -205420.1600 17569.9374 0.0000 0.0000 34203.4321 -148768.4660 298.7071 -182971.8980 -148677.7078 300.1604 -101.8304 -74.2995 560455.1918 -10.7576 -10.6979 PRESSURE: 4068800 131.916 -88.3592 2.48812 -88.3589 51.0881 61.5159 2.48873 61.5162 -127.403 GPRESSURE: 4068800 123.375 -89.8284 0.23972 -157.094 148.569 34.1783 -34.3575 61.0314 -126.755 PRESSAVG: 4068800 -17.1743 -23.0845 45.2167 -23.0845 -29.7843 65.7423 45.2167 65.7423 73.034 GPRESSAVG: 4068800 -15.5558 -25.4677 44.5647 -22.1935 -30.0282 63.8607 46.4851 66.7916 72.0149 TIMING: 4068800 CPU: 11824.8, 0.00291528/step Wall: 11824.8, 0.00291528/step, 0.754086 hours remaining, 207.597656 MB of memory in use. ENERGY: 4068800 764.7230 2037.3672 1948.8189 112.8629 -206012.3819 17830.4710 0.0000 0.0000 34319.0313 -148999.1076 299.7166 -183318.1389 -148900.8437 299.4578 18.5337 48.3965 557008.8058 8.6918 8.8103 PRESSURE: 4069000 -72.5325 -122.271 49.8346 -122.272 5.2757 191.281 49.8359 191.281 -15.2236 GPRESSURE: 4069000 -24.4709 -94.8516 26.7328 -93.6566 -0.00400659 197.583 88.3253 152.43 29.3293 PRESSAVG: 4069000 -0.414666 -9.42537 18.8199 -9.42539 22.5316 17.7989 18.82 17.799 13.7496 GPRESSAVG: 4069000 -1.48899 -8.53 16.9733 -10.4283 21.9795 18.3415 19.4016 17.8231 14.9994 TIMING: 4069000 CPU: 11825.4, 0.00288887/step Wall: 11825.4, 0.00288887/step, 0.747093 hours remaining, 207.597656 MB of memory in use. ENERGY: 4069000 761.8250 2104.6751 1956.1602 103.3901 -205987.0768 17726.7625 0.0000 0.0000 34191.8601 -149142.4039 298.6060 -183334.2640 -149046.4652 299.1891 -27.4935 1.6181 557221.1511 11.9555 11.8300 PRESSURE: 4069200 187.292 36.6041 -26.5741 36.6036 41.0017 -22.2536 -26.573 -22.2543 -145.06 GPRESSURE: 4069200 194.335 144.475 -1.42986 32.1773 78.7964 8.52147 21.0815 -48.0696 -82.1557 PRESSAVG: 4069200 20.1724 -29.3576 -19.8078 -29.3577 -37.9024 14.2629 -19.8077 14.263 15.593 GPRESSAVG: 4069200 20.1441 -29.1211 -14.9679 -27.6689 -37.7515 14.9928 -22.5898 11.8949 15.3626 TIMING: 4069200 CPU: 11825.9, 0.00288735/step Wall: 11825.9, 0.00288735/step, 0.74654 hours remaining, 207.597656 MB of memory in use. ENERGY: 4069200 777.3961 2042.3482 1945.9367 108.2740 -206216.9258 17879.6694 0.0000 0.0000 34416.0122 -149047.2892 300.5636 -183463.3014 -148949.4603 299.8860 27.7446 63.6586 556102.3471 -0.7123 -0.7483 PRESSURE: 4069400 -169.3 13.712 -232.79 13.7144 318.264 28.0389 -232.791 28.0386 -70.072 GPRESSURE: 4069400 -112.521 0.464854 -196.235 18.406 324.467 -40.762 -214.411 -1.38447 -41.7018 PRESSAVG: 4069400 57.7759 37.6567 -2.60625 37.6566 -7.77714 -60.1592 -2.60618 -60.1591 -25.9587 GPRESSAVG: 4069400 58.0294 37.8076 -6.08186 37.9049 -7.90014 -60.9998 -0.901168 -57.2052 -26.4948 TIMING: 4069400 CPU: 11826.5, 0.00288914/step Wall: 11826.5, 0.00288914/step, 0.746844 hours remaining, 207.597656 MB of memory in use. ENERGY: 4069400 737.9077 2069.9800 1959.5853 114.9370 -206168.5096 17885.0484 0.0000 0.0000 34390.3607 -149010.6905 300.3396 -183401.0512 -148919.4071 299.5628 26.2974 56.7482 556552.4776 8.0134 7.8781 PRESSURE: 4069600 334.34 -4.36415 23.959 -4.36477 238.735 52.3515 23.9604 52.3504 111.001 GPRESSURE: 4069600 425.485 6.59321 29.1484 73.2115 262.678 38.5739 -38.3797 53.2904 86.717 PRESSAVG: 4069600 10.685 27.1588 -41.0542 27.1588 53.8361 -48.1376 -41.0542 -48.1375 -38.1354 GPRESSAVG: 4069600 10.2768 28.0008 -40.9986 25.9592 53.6301 -49.2743 -40.6335 -48.5686 -37.6481 TIMING: 4069600 CPU: 11827.1, 0.00288951/step Wall: 11827.1, 0.00288951/step, 0.746778 hours remaining, 207.597656 MB of memory in use. ENERGY: 4069600 709.6588 2148.8242 1966.0407 110.9267 -206482.1282 18133.0613 0.0000 0.0000 34344.4626 -149069.1539 299.9387 -183413.6166 -148966.4976 299.7904 228.0254 258.2931 557207.8588 8.7952 8.7530 PRESSURE: 4069800 -37.4828 -141.162 79.5434 -141.162 -269.398 35.6355 79.5435 35.6331 -20.7223 GPRESSURE: 4069800 11.0075 -205.763 140.87 -149.538 -278.372 67.8639 48.5398 112.375 40.4082 PRESSAVG: 4069800 7.59087 -80.1472 -33.5889 -80.1472 10.978 35.4252 -33.5889 35.4251 -3.78628 GPRESSAVG: 4069800 9.25427 -79.8042 -34.0644 -78.7235 10.6834 35.9208 -31.3653 34.8521 -5.00611 TIMING: 4069800 CPU: 11827.7, 0.00290234/step Wall: 11827.7, 0.00290234/step, 0.749933 hours remaining, 207.597656 MB of memory in use. ENERGY: 4069800 744.9654 2088.0965 1933.7573 104.7106 -205722.9683 17552.6633 0.0000 0.0000 34294.9748 -149003.8003 299.5065 -183298.7751 -148906.9722 299.7004 -109.2011 -75.6522 558947.8443 4.9275 4.9772 PRESSURE: 4070000 67.7462 41.5179 28.147 41.5177 -182.575 28.6432 28.1467 28.6446 -127.9 GPRESSURE: 4070000 62.0533 94.4739 64.8653 111.579 -154.31 63.4769 21.6574 46.2104 -64.0443 PRESSAVG: 4070000 2.99568 -20.5988 3.89908 -20.5988 -40.2239 53.7496 3.89909 53.7497 50.8019 GPRESSAVG: 4070000 1.92788 -21.0743 5.13128 -21.9335 -40.8589 54.2549 2.7003 53.0991 52.3363 TIMING: 4070000 CPU: 11828.2, 0.0029114/step Wall: 11828.2, 0.0029114/step, 0.752112 hours remaining, 207.863281 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: 4070000 774.5847 2120.9582 1963.4877 112.8396 -205840.3950 17756.2522 0.0000 0.0000 34213.9575 -148898.3153 298.7990 -183112.2728 -148803.2353 299.2903 -80.9097 -52.1003 557811.2993 4.5246 4.4684 PRESSURE: 4070200 9.1032 66.0414 -84.6737 66.0425 -149.437 -75.7839 -84.6745 -75.7827 67.1562 GPRESSURE: 4070200 29.3716 113.555 -147.095 66.4208 -108.857 -114.346 -94.2155 -29.5668 110.799 PRESSAVG: 4070200 5.48174 34.2536 19.833 34.2535 -23.0765 -29.7301 19.8331 -29.7301 64.1544 GPRESSAVG: 4070200 5.32371 35.2981 20.4131 35.4233 -22.8386 -28.7202 19.1507 -27.6581 63.9132 TIMING: 4070200 CPU: 11828.8, 0.00291655/step Wall: 11828.8, 0.00291655/step, 0.75328 hours remaining, 207.863281 MB of memory in use. ENERGY: 4070200 734.3492 2150.4248 1974.5527 116.0675 -205829.3858 17743.3806 0.0000 0.0000 34088.2493 -149022.3617 297.7012 -183110.6110 -148927.5346 299.8014 -24.3926 10.4376 557090.5078 15.5199 15.4661 PRESSURE: 4070400 -46.5334 272.305 -56.9004 272.304 34.3071 -102.653 -56.8992 -102.653 -81.6668 GPRESSURE: 4070400 -32.4324 206.963 -73.846 321.382 49.0108 -118.193 23.1228 -75.5913 -23.7974 PRESSAVG: 4070400 36.8019 75.2207 15.42 75.2207 -42.6464 -3.83205 15.42 -3.83202 -14.2451 GPRESSAVG: 4070400 35.9439 74.8469 16.6634 72.3892 -42.3389 -5.17401 15.8414 -3.41105 -14.3187 TIMING: 4070400 CPU: 11829.4, 0.00292767/step Wall: 11829.4, 0.00292767/step, 0.755989 hours remaining, 207.863281 MB of memory in use. ENERGY: 4070400 749.7133 2068.0216 1957.5073 110.9664 -205742.0556 17581.3831 0.0000 0.0000 34281.8297 -148992.6341 299.3917 -183274.4638 -148899.9185 299.7655 -31.2977 -2.4063 557003.0933 -6.6965 -6.9046 PRESSURE: 4070600 -364.392 -70.717 -79.8752 -70.717 -26.8975 -174.059 -79.8768 -174.059 -112.058 GPRESSURE: 4070600 -308.292 -49.5845 -1.40081 5.36363 -16.3341 -126.619 -65.7175 -175.649 -73.5436 PRESSAVG: 4070600 63.2747 34.7817 -17.3023 34.7817 -57.5119 3.85853 -17.3024 3.85863 -25.9537 GPRESSAVG: 4070600 63.7579 33.6086 -18.0676 35.7806 -57.2499 3.1266 -17.4714 3.68149 -26.177 TIMING: 4070600 CPU: 11830, 0.00292298/step Wall: 11830, 0.00292298/step, 0.754616 hours remaining, 207.863281 MB of memory in use. ENERGY: 4070600 721.8306 2090.4862 1965.4929 113.8321 -205714.3376 17453.9344 0.0000 0.0000 34154.9119 -149213.8495 298.2833 -183368.7614 -149114.9365 299.1305 -167.7824 -132.7233 558544.2939 -6.7303 -6.5563 PRESSURE: 4070800 0.213373 66.2569 -129.957 66.257 243.665 -87.6085 -129.958 -87.6073 145.057 GPRESSURE: 4070800 21.8813 59.0872 -270.1 76.3881 280.252 -188.397 -73.8998 -32.5346 183.274 PRESSAVG: 4070800 -27.3801 -20.6261 31.2298 -20.626 41.8747 -62.0386 31.2298 -62.0386 -16.9898 GPRESSAVG: 4070800 -27.6088 -20.0637 30.4767 -19.855 42.5652 -61.3231 32.0035 -61.707 -17.0813 TIMING: 4070800 CPU: 11830.6, 0.00291465/step Wall: 11830.6, 0.00291465/step, 0.752303 hours remaining, 207.863281 MB of memory in use. ENERGY: 4070800 733.4981 2093.8988 1970.2940 118.3876 -206480.4254 17889.3603 0.0000 0.0000 34375.9742 -149299.0124 300.2139 -183674.9866 -149205.0228 299.3506 129.6451 161.8022 556024.3360 -0.8317 -0.7083 PRESSURE: 4071000 236.035 -57.9504 -64.9321 -57.9518 140.804 -26.4098 -64.9319 -26.4096 4.48497 GPRESSURE: 4071000 266.921 60.103 -78.8027 -36.4251 143.099 -97.2062 -131.271 -18.6594 65.7199 PRESSAVG: 4071000 -17.9626 67.7753 -19.4078 67.7753 17.2845 -96.6915 -19.4079 -96.6916 9.80983 GPRESSAVG: 4071000 -18.5094 67.6852 -18.3757 67.6334 16.7166 -97.9755 -20.2717 -96.9203 10.9016 TIMING: 4071000 CPU: 11831.2, 0.0029384/step Wall: 11831.2, 0.0029384/step, 0.758272 hours remaining, 207.863281 MB of memory in use. ENERGY: 4071000 722.5945 2053.6834 1979.3772 113.2697 -206572.0509 17959.8529 0.0000 0.0000 34459.9955 -149283.2776 300.9477 -183743.2731 -149171.7883 299.3217 127.1081 158.5799 555332.2498 3.0439 3.0363 PRESSURE: 4071200 -106.913 60.6344 38.5761 60.6363 -229.71 -5.75044 38.5757 -5.75051 -135.978 GPRESSURE: 4071200 -74.9095 74.0165 -2.04896 31.9817 -125.006 144.871 79.56 -96.7152 -172.848 PRESSAVG: 4071200 57.7792 -11.0377 -24.6426 -11.0376 -36.0562 -28.3798 -24.6428 -28.3798 -45.6027 GPRESSAVG: 4071200 58.0765 -13.0621 -26.3764 -10.6901 -36.9253 -25.1768 -25.435 -32.3373 -45.8424 TIMING: 4071200 CPU: 11831.8, 0.00293193/step Wall: 11831.8, 0.00293193/step, 0.756437 hours remaining, 207.863281 MB of memory in use. ENERGY: 4071200 730.7159 2134.1797 1993.7468 128.5585 -206209.5971 17543.3657 0.0000 0.0000 34219.7097 -149459.3208 298.8492 -183679.0305 -149361.3114 298.5862 -157.5338 -124.2545 557664.8391 -7.9599 -8.2304 PRESSURE: 4071400 6.0697 261.613 -23.0619 261.612 -14.7988 -21.4348 -23.062 -21.4345 167.753 GPRESSURE: 4071400 30.3932 273.846 -24.0983 212.279 -7.56515 0.0769551 -84.8606 -39.5008 240.66 PRESSAVG: 4071400 36.7057 55.4411 -80.7802 55.4411 3.44848 -50.7741 -80.7803 -50.774 -53.1713 GPRESSAVG: 4071400 36.6045 56.1756 -80.0076 58.0281 4.18295 -51.8732 -82.4385 -48.9858 -53.5836 TIMING: 4071400 CPU: 11832.3, 0.00290633/step Wall: 11832.3, 0.00290633/step, 0.749672 hours remaining, 207.863281 MB of memory in use. ENERGY: 4071400 743.4569 2058.0845 1961.3916 107.4547 -206227.3937 17820.2518 0.0000 0.0000 34048.9742 -149487.7801 297.3582 -183536.7542 -149389.6098 298.4540 53.0081 87.8295 557235.1582 -4.3390 -4.2654 PRESSURE: 4071600 -47.6006 -50.8177 -9.17487 -50.8164 39.2669 17.3668 -9.17378 17.3672 -9.17576 GPRESSURE: 4071600 4.23981 -2.43223 5.83187 -103.17 59.5276 18.173 43.4474 7.81083 8.09381 PRESSAVG: 4071600 -2.88643 -1.68976 -36.3464 -1.6897 8.90174 -27.0271 -36.3466 -27.0271 -28.7235 GPRESSAVG: 4071600 -1.54593 -0.16086 -35.4148 -5.89094 8.21944 -27.9596 -37.4582 -25.7698 -28.9722 TIMING: 4071600 CPU: 11832.9, 0.00292775/step Wall: 11832.9, 0.00292776/step, 0.755036 hours remaining, 207.863281 MB of memory in use. ENERGY: 4071600 745.7971 2130.6995 1981.8876 112.7687 -206046.1672 17677.5853 0.0000 0.0000 34111.6950 -149285.7339 297.9059 -183397.4289 -149195.9156 298.3194 -5.8365 23.9538 555572.7773 -7.5694 -7.4329 PRESSURE: 4071800 84.6752 0.536344 67.3577 0.536649 36.6096 -87.5827 67.3581 -87.5829 247.131 GPRESSURE: 4071800 108.29 34.2325 90.0657 13.5917 74.6012 -108.994 65.4221 -62.2368 287.501 PRESSAVG: 4071800 -5.67133 15.4861 -2.94026 15.4861 16.2235 72.5697 -2.94025 72.5697 7.77779 GPRESSAVG: 4071800 -5.52116 14.3059 -2.46846 17.5342 15.649 73.7883 -0.243164 71.6642 8.3627 TIMING: 4071800 CPU: 11833.5, 0.00289607/step Wall: 11833.5, 0.00289607/step, 0.746703 hours remaining, 207.863281 MB of memory in use. ENERGY: 4071800 745.4270 2111.1010 1944.6204 109.0051 -206490.8546 18077.8826 0.0000 0.0000 34276.6778 -149226.1408 299.3468 -183502.8185 -149138.3944 299.3424 122.8052 156.7973 557723.7363 6.1100 6.1635 PRESSURE: 4072000 -168.15 -111.819 -180.053 -111.819 -282.143 136.415 -180.052 136.414 -209.813 GPRESSURE: 4072000 -143.164 -86.2661 -40.1987 -73.381 -212.394 179.92 -230.392 113.441 -218.948 PRESSAVG: 4072000 -29.7719 17.4229 -34.6897 17.4228 -11.711 37.4861 -34.6896 37.486 43.1637 GPRESSAVG: 4072000 -30.0072 17.5328 -33.3445 16.6661 -10.0436 36.7486 -35.845 38.5877 41.8888 TIMING: 4072000 CPU: 11834.1, 0.00287384/step Wall: 11834.1, 0.00287384/step, 0.740813 hours remaining, 207.863281 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: 4072000 733.7377 2137.3111 1972.6311 117.1689 -205916.3718 17337.3668 0.0000 0.0000 34248.2986 -149369.8576 299.0989 -183618.1562 -149278.8528 298.8908 -220.0354 -191.5017 557416.9101 0.5603 0.6127 PRESSURE: 4072200 -111.246 104.698 33.0097 104.699 -85.882 151.634 33.0098 151.634 31.2403 GPRESSURE: 4072200 -101.288 108.59 -32.1927 50.2472 4.02115 43.1485 42.3245 154.128 37.2101 PRESSAVG: 4072200 19.4237 19.9002 14.4879 19.9001 -6.82606 68.5085 14.4879 68.5085 -6.42637 GPRESSAVG: 4072200 18.1706 20.9081 11.2038 19.9815 -6.19228 66.9309 16.1216 70.5357 -5.49227 TIMING: 4072200 CPU: 11834.7, 0.00288268/step Wall: 11834.7, 0.00288268/step, 0.742931 hours remaining, 207.863281 MB of memory in use. ENERGY: 4072200 733.4174 2095.4928 1945.8434 111.6805 -206167.4251 17803.4799 0.0000 0.0000 34220.5412 -149256.9698 298.8565 -183477.5111 -149157.5154 298.6089 -55.2959 -20.0191 557362.5784 2.0571 2.1620 LDB: ============= START OF LOAD BALANCING ============== 11838.1 LDB: ============== END OF LOAD BALANCING =============== 11838.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11838.1 LDB: ============= START OF LOAD BALANCING ============== 11838.4 LDB: Largest compute 4848 load 0.029249 is 24.8% of average load 0.117908 LDB: Average compute 0.001724 is 1.5% of average load 0.117908 LDB: TIME 11838.4 LOAD: AVG 0.117908 MAX 0.181495 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.098 MB LDB: TIME 11838.4 LOAD: AVG 0.117908 MAX 0.181495 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.168 MB LDB: TIME 11838.4 LOAD: AVG 0.117908 MAX 0.181495 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.168 MB LDB: ============== END OF LOAD BALANCING =============== 11838.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11838.4 PRESSURE: 4072400 -60.958 -0.852456 80.2735 -0.851507 -247.681 -6.04638 80.2728 -6.04782 59.2505 GPRESSURE: 4072400 -67.402 93.2776 59.5074 -45.0177 -191.4 49.6229 146.665 -16.6003 105.115 PRESSAVG: 4072400 13.7363 29.0125 -0.769411 29.0125 -4.83412 15.93 -0.769446 15.93 -19.59 GPRESSAVG: 4072400 15.3976 29.1793 -1.47822 29.8353 -5.64207 16.1514 -1.828 14.3056 -20.5673 TIMING: 4072400 CPU: 11835.2, 0.00294767/step Wall: 11835.2, 0.00294767/step, 0.759517 hours remaining, 207.152344 MB of memory in use. ENERGY: 4072400 731.1611 2070.3423 1964.9013 106.0792 -206317.4361 17708.8769 0.0000 0.0000 34312.8895 -149423.1857 299.6630 -183736.0752 -149329.8136 298.7079 -83.1295 -51.2289 556481.4100 -3.5626 -3.6039 PRESSURE: 4072600 2.38096 221.67 -132.197 221.669 -41.223 -144.71 -132.197 -144.711 -101.87 GPRESSURE: 4072600 52.3403 93.8932 -40.3156 228.718 21.7538 -161.723 -135.851 -87.0321 -111.728 PRESSAVG: 4072600 46.4777 -8.37583 51.3275 -8.37573 -24.8831 2.33006 51.3275 2.33003 -25.6265 GPRESSAVG: 4072600 45.1089 -9.10268 53.22 -7.83187 -25.2131 2.39976 51.5209 3.43555 -24.2465 TIMING: 4072600 CPU: 11835.8, 0.00289703/step Wall: 11835.8, 0.00289703/step, 0.746307 hours remaining, 207.355469 MB of memory in use. ENERGY: 4072600 715.2225 2052.9188 1934.9472 112.4858 -206340.0936 17816.3988 0.0000 0.0000 34174.4951 -149533.6254 298.4544 -183708.1205 -149439.1013 297.7749 -46.9039 -12.5446 556625.0994 -1.3440 -1.4502 PRESSURE: 4072800 -201.288 141.31 -25.1242 141.31 -328.962 124.65 -25.1237 124.65 -294.553 GPRESSURE: 4072800 -208.621 176.628 18.8093 125.036 -241.23 68.9008 -34.8726 157.565 -263.009 PRESSAVG: 4072800 9.46088 -25.242 -23.7955 -25.2421 -69.0585 -9.65261 -23.7955 -9.65258 53.9721 GPRESSAVG: 4072800 9.02486 -24.7285 -25.532 -26.8154 -68.7411 -9.05963 -23.1615 -12.9236 54.1113 TIMING: 4072800 CPU: 11836.4, 0.00290291/step Wall: 11836.4, 0.00290291/step, 0.747662 hours remaining, 207.355469 MB of memory in use. ENERGY: 4072800 754.4906 2090.1209 1971.6023 102.3588 -205872.3499 17369.9207 0.0000 0.0000 33813.4839 -149770.3727 295.3016 -183583.8567 -149670.2029 298.1827 -274.9343 -237.6198 558216.6580 -1.8752 -1.8683 PRESSURE: 4073000 151.671 39.8637 -127.171 39.8632 156.011 87.9953 -127.171 87.9928 108.255 GPRESSURE: 4073000 151.905 130.057 -169.323 -42.8666 173.042 131.614 -85.7992 73.8124 164.997 PRESSAVG: 4073000 -17.6763 -2.34569 -1.39445 -2.3457 -68.3322 38.7431 -1.39445 38.7431 132.476 GPRESSAVG: 4073000 -16.4002 -1.8632 -0.566435 -1.97303 -69.3548 39.3849 -1.83863 39.5958 132.17 TIMING: 4073000 CPU: 11837, 0.00291936/step Wall: 11837, 0.00291936/step, 0.751734 hours remaining, 207.355469 MB of memory in use. ENERGY: 4073000 696.1416 2073.8482 1952.0070 119.4156 -206529.3839 17976.8722 0.0000 0.0000 34115.0902 -149596.0091 297.9356 -183711.0993 -149498.2411 297.6048 138.6454 163.3149 556379.7598 15.4892 15.4718 PRESSURE: 4073200 -60.9281 49.6442 75.2193 49.6442 9.78831 70.4518 75.2193 70.4508 -222.89 GPRESSURE: 4073200 -26.0034 58.491 51.5069 60.9619 -0.789325 105.221 69.8867 -48.5992 -141.577 PRESSAVG: 4073200 19.915 -50.7332 12.199 -50.7333 -55.7726 -16.2209 12.1988 -16.2209 22.9164 GPRESSAVG: 4073200 19.7787 -50.7016 13.7114 -51.4827 -55.9611 -17.044 9.84341 -15.0136 22.6837 TIMING: 4073200 CPU: 11837.6, 0.00289595/step Wall: 11837.6, 0.00289595/step, 0.745546 hours remaining, 207.355469 MB of memory in use. ENERGY: 4073200 728.9204 2114.3493 1962.7653 124.3663 -206569.5303 17851.9129 0.0000 0.0000 34220.7413 -149566.4748 298.8582 -183787.2161 -149465.5119 298.7142 -91.3432 -56.1234 557614.1635 -4.3137 -4.4996 PRESSURE: 4073400 -128.627 146.317 -45.0012 146.317 8.52527 -55.8737 -45.0018 -55.8741 -174.292 GPRESSURE: 4073400 -67.1362 176.566 -1.068 160.811 5.96567 -27.5791 -80.4266 -10.0411 -142.794 PRESSAVG: 4073400 30.2648 -45.1332 43.8488 -45.1331 -6.36546 -43.8399 43.8489 -43.8398 -58.238 GPRESSAVG: 4073400 29.8388 -45.1563 42.6666 -43.439 -6.56737 -43.3454 44.9197 -45.9241 -58.2589 TIMING: 4073400 CPU: 11838.1, 0.00290558/step Wall: 11838.1, 0.00290558/step, 0.747865 hours remaining, 207.355469 MB of memory in use. ENERGY: 4073400 734.0223 2075.4574 1947.2785 102.9513 -206390.6205 17677.5847 0.0000 0.0000 34298.5518 -149554.7744 299.5378 -183853.3262 -149457.9522 298.4901 -98.1313 -67.9883 556584.5316 -11.4462 -11.6625 PRESSURE: 4073600 231.347 10.9692 75.3783 10.9688 153.722 69.3247 75.3778 69.3267 8.47786 GPRESSURE: 4073600 226.714 -57.2492 81.633 -28.6632 215.084 53.9209 14.7008 67.0195 43.1673 PRESSAVG: 4073600 -25.6993 -25.3407 40.4249 -25.3406 14.3993 -7.82591 40.4248 -7.8258 25.7317 GPRESSAVG: 4073600 -26.2209 -27.3503 40.1076 -25.8576 14.2433 -8.33514 39.8997 -6.93937 25.6807 TIMING: 4073600 CPU: 11838.7, 0.00289733/step Wall: 11838.7, 0.00289733/step, 0.745579 hours remaining, 207.355469 MB of memory in use. ENERGY: 4073600 721.1891 2064.6654 1968.2865 116.2883 -206862.3805 18135.2942 0.0000 0.0000 34289.9780 -149566.6789 299.4629 -183856.6569 -149473.6266 298.0050 131.1822 161.6553 555966.0320 4.8105 4.5677 PRESSURE: 4073800 65.011 43.8411 176.459 43.8416 -28.7329 -110.828 176.461 -110.829 -261.38 GPRESSURE: 4073800 126.126 64.2674 147.174 69.8791 -55.3883 -185.739 171.582 -93.3305 -195.307 PRESSAVG: 4073800 48.8193 16.2799 41.6941 16.2799 -48.3183 -15.8339 41.6941 -15.8338 -10.4777 GPRESSAVG: 4073800 49.4208 17.0101 42.0526 14.5077 -48.5314 -17.5677 42.0216 -14.6917 -11.4988 TIMING: 4073800 CPU: 11839.3, 0.00291291/step Wall: 11839.3, 0.00291291/step, 0.749426 hours remaining, 207.355469 MB of memory in use. ENERGY: 4073800 740.0660 2093.8527 1963.6469 117.6897 -206208.7610 17800.7981 0.0000 0.0000 34068.4101 -149424.2975 297.5279 -183492.7075 -149333.0936 298.5044 -75.0338 -41.5229 556951.2058 -3.3256 -3.5364 PRESSURE: 4074000 -34.7123 107.32 188.779 107.321 -241.455 21.5504 188.779 21.5499 -180.206 GPRESSURE: 4074000 -12.9828 114.223 198.964 86.1514 -197.238 -138.63 228.422 15.7878 -142.182 PRESSAVG: 4074000 19.2434 3.83456 52.9332 3.83441 -32.9424 -9.83592 52.9332 -9.83588 4.59819 GPRESSAVG: 4074000 19.2261 4.94533 50.2207 5.23825 -32.4781 -10.3709 54.8838 -10.1615 4.47409 TIMING: 4074000 CPU: 11839.9, 0.00289063/step Wall: 11839.9, 0.00289063/step, 0.743535 hours remaining, 207.355469 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: 4074000 721.1000 2134.0877 1948.4019 102.2577 -205972.0389 17626.5909 0.0000 0.0000 34191.4223 -149248.1785 298.6022 -183439.6008 -149154.8838 298.4590 -152.1244 -117.4674 558709.7017 -3.0336 -2.9260 PRESSURE: 4074200 123.968 99.7461 229.87 99.7468 -298.927 112.721 229.869 112.722 -12.3145 GPRESSURE: 4074200 174.739 126.777 158.613 92.1993 -258.336 124.861 207.4 102.857 -21.4979 PRESSAVG: 4074200 47.5426 0.573837 61.6697 0.573914 -101.691 -17.2391 61.6696 -17.2391 70.5947 GPRESSAVG: 4074200 45.7836 -1.39661 61.9808 -0.0716639 -101.405 -15.7364 60.083 -14.4771 71.8019 TIMING: 4074200 CPU: 11840.5, 0.00289613/step Wall: 11840.5, 0.00289613/step, 0.744789 hours remaining, 207.355469 MB of memory in use. ENERGY: 4074200 740.4222 2087.3807 1961.0892 106.9047 -206594.0003 17922.3087 0.0000 0.0000 34387.9952 -149387.8995 300.3189 -183775.8948 -149289.2312 299.7482 -62.4246 -35.0317 557686.5483 5.4822 5.3934 PRESSURE: 4074400 -78.1978 -110.699 166.905 -110.699 -1.98266 6.26451 166.905 6.26543 -10.7051 GPRESSURE: 4074400 -67.1113 -46.6577 186.463 -108.983 64.3919 -5.72133 172.048 69.1651 -7.02988 PRESSAVG: 4074400 28.0047 -11.037 50.7908 -11.037 -57.5647 5.64892 50.7908 5.64883 42.7257 GPRESSAVG: 4074400 29.1384 -8.49124 51.1071 -9.8861 -57.6407 4.89358 52.7462 3.56085 41.3908 TIMING: 4074400 CPU: 11841, 0.00289711/step Wall: 11841, 0.00289711/step, 0.744878 hours remaining, 207.355469 MB of memory in use. ENERGY: 4074400 761.4413 2100.4580 1948.0109 108.7294 -206245.5623 17784.9529 0.0000 0.0000 34154.4911 -149387.4787 298.2797 -183541.9698 -149300.1321 298.4717 -30.2952 -3.2498 558559.9103 4.3886 4.2962 PRESSURE: 4074600 -168.852 -82.6292 76.8693 -82.6301 150.429 -83.8409 76.8695 -83.8409 62.8279 GPRESSURE: 4074600 -149.8 -169.128 -16.2182 -61.9436 160.808 -30.1829 92.5261 -105.722 124.348 PRESSAVG: 4074600 -10.7653 -13.3824 19.7347 -13.3825 -63.5932 31.1444 19.7347 31.1443 54.5737 GPRESSAVG: 4074600 -11.0806 -14.8575 20.9187 -16.0054 -63.766 32.1627 18.6534 29.7434 55.2622 TIMING: 4074600 CPU: 11841.6, 0.00289686/step Wall: 11841.6, 0.00289686/step, 0.744655 hours remaining, 207.355469 MB of memory in use. ENERGY: 4074600 778.2387 2018.3373 1980.6034 112.7010 -206497.5255 17991.8878 0.0000 0.0000 34313.7401 -149302.0172 299.6704 -183615.7574 -149208.6156 299.0388 14.8015 45.1186 557320.1377 -6.5949 -6.5281 PRESSURE: 4074800 10.5872 129.077 152.905 129.078 -240.756 -90.3006 152.905 -90.2988 -152.566 GPRESSURE: 4074800 40.8282 91.5107 107.395 224.567 -174.058 -55.1591 196.406 -46.6212 -159.073 PRESSAVG: 4074800 18.1048 45.4539 11.5269 45.454 -47.3479 -55.7243 11.5269 -55.7243 67.9042 GPRESSAVG: 4074800 16.8521 46.1866 11.396 46.4901 -47.1544 -53.9896 11.0431 -54.0839 68.701 TIMING: 4074800 CPU: 11842.2, 0.00288068/step Wall: 11842.2, 0.00288068/step, 0.740334 hours remaining, 207.355469 MB of memory in use. ENERGY: 4074800 765.9799 2071.1893 1957.7327 108.4390 -205735.9609 17470.5560 0.0000 0.0000 34098.0200 -149264.0440 297.7865 -183362.0640 -149168.5019 298.7284 -127.5783 -97.4342 557698.0567 12.8870 12.7996 PRESSURE: 4075000 -221.065 -54.5062 -57.4891 -54.5062 66.5917 -224.886 -57.4892 -224.884 -22.0178 GPRESSURE: 4075000 -166.992 -49.0767 -123.975 -144.861 58.2879 -135.552 -49.1348 -292.489 25.2457 PRESSAVG: 4075000 -2.84282 5.57609 -8.34888 5.57612 -0.452359 -50.1974 -8.34896 -50.1974 -6.87286 GPRESSAVG: 4075000 -0.657037 4.31223 -8.21799 8.20659 -0.350463 -52.3313 -7.06497 -51.5137 -8.64509 TIMING: 4075000 CPU: 11842.8, 0.00291516/step Wall: 11842.8, 0.00291516/step, 0.749034 hours remaining, 207.355469 MB of memory in use. ENERGY: 4075000 771.6659 2112.0997 1963.9417 118.3947 -205979.1361 17600.7576 0.0000 0.0000 34297.0803 -149115.1962 299.5249 -183412.2766 -149015.1511 298.7737 -58.8303 -27.8194 557448.4544 -3.3893 -3.2175 PRESSURE: 4075200 79.2914 69.4082 -55.8507 69.4065 118.49 1.13573 -55.8514 1.13319 477.422 GPRESSURE: 4075200 115.462 107.488 -41.3818 79.6568 163.514 -58.221 -21.9173 -6.6398 505.135 PRESSAVG: 4075200 16.0063 33.2963 -46.0137 33.2962 -12.4225 -21.6396 -46.0136 -21.6397 -9.42861 GPRESSAVG: 4075200 14.7298 35.114 -44.4085 34.7136 -12.0644 -22.3973 -48.791 -19.8683 -8.53054 TIMING: 4075200 CPU: 11843.4, 0.00291907/step Wall: 11843.4, 0.00291907/step, 0.749877 hours remaining, 207.558594 MB of memory in use. ENERGY: 4075200 719.9687 2055.3274 1965.3845 119.8354 -206817.6974 18291.2118 0.0000 0.0000 34485.4087 -149180.5609 301.1697 -183665.9696 -149085.6703 299.2591 225.0675 261.3706 556862.3587 -1.9483 -1.9550 PRESSURE: 4075400 -137.515 -14.3974 97.9664 -14.3971 118.36 130.052 97.9665 130.051 -329.308 GPRESSURE: 4075400 -145.265 -57.965 72.9955 -53.9065 170.826 39.2734 164.404 178.76 -277.63 PRESSAVG: 4075400 -40.7696 16.08 -54.2115 16.08 3.17547 1.16929 -54.2115 1.16937 62.9004 GPRESSAVG: 4075400 -39.8299 15.363 -57.2033 14.3314 2.24065 4.92339 -52.0266 -0.446911 62.8499 TIMING: 4075400 CPU: 11843.9, 0.00289348/step Wall: 11843.9, 0.00289348/step, 0.743142 hours remaining, 207.558594 MB of memory in use. ENERGY: 4075400 774.1452 2070.9462 1960.1916 111.3059 -205927.8911 17799.8930 0.0000 0.0000 33974.9429 -149236.4662 296.7116 -183211.4091 -149138.9464 299.2554 -116.1539 -84.0229 558169.5601 8.4354 8.4202 PRESSURE: 4075600 -128.91 66.9707 80.999 66.9707 -3.53481 20.7667 80.9987 20.7651 -6.94667 GPRESSURE: 4075600 -89.063 90.3053 86.9861 31.2208 18.5544 -47.4517 47.3169 34.9241 32.0492 PRESSAVG: 4075600 -28.8191 -38.313 -73.0242 -38.3129 -47.215 -28.6188 -73.0241 -28.6188 92.9934 GPRESSAVG: 4075600 -29.7638 -40.9526 -72.4074 -35.5677 -45.8643 -30.2236 -72.9954 -27.6098 92.8116 TIMING: 4075600 CPU: 11844.5, 0.00291509/step Wall: 11844.5, 0.00291509/step, 0.748531 hours remaining, 207.761719 MB of memory in use. ENERGY: 4075600 728.0580 2103.3319 1947.6472 109.5794 -206396.9445 17858.2002 0.0000 0.0000 34250.1277 -149400.0001 299.1149 -183650.1278 -149310.3057 299.0451 -46.4640 -12.8198 558243.0886 5.6531 5.7278 PRESSURE: 4075800 -124.909 -73.707 -132.568 -73.7075 -84.8964 -101.625 -132.567 -101.624 29.2252 GPRESSURE: 4075800 -45.323 -108.168 -163.75 -111.951 -22.7503 -69.1503 -143.553 -53.83 -11.8012 PRESSAVG: 4075800 -16.2391 -33.3981 5.89215 -33.3982 30.3815 -7.19854 5.89217 -7.19855 9.00065 GPRESSAVG: 4075800 -18.2983 -30.1401 8.24647 -35.8035 30.8017 -8.49831 6.4316 -7.41254 10.7274 TIMING: 4075800 CPU: 11845.1, 0.00292527/step Wall: 11845.1, 0.00292527/step, 0.750981 hours remaining, 207.761719 MB of memory in use. ENERGY: 4075800 756.0335 2124.2330 1977.7694 113.3945 -206077.0675 17757.8261 0.0000 0.0000 34023.7014 -149324.1095 297.1374 -183347.8110 -149223.4434 299.2278 -60.1935 -26.6248 559072.0787 7.7143 7.7436 PRESSURE: 4076000 -33.2699 98.4949 44.3398 98.4965 157.462 -165.235 44.3393 -165.236 168.087 GPRESSURE: 4076000 62.0958 60.0534 9.88543 68.3801 185.228 -173.072 41.3809 -114.88 144.146 PRESSAVG: 4076000 -46.7358 8.03194 29.0421 8.03195 -30.2652 -11.2345 29.0421 -11.2346 85.3093 GPRESSAVG: 4076000 -44.7526 8.24136 26.199 7.72233 -30.5136 -8.85344 28.9696 -13.9705 83.6886 TIMING: 4076000 CPU: 11845.7, 0.00290432/step Wall: 11845.7, 0.00290432/step, 0.745442 hours remaining, 207.761719 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: 4076000 760.7736 2106.2503 1969.8907 96.0308 -206616.3109 18008.3389 0.0000 0.0000 34481.7566 -149193.2700 301.1378 -183675.0266 -149096.2862 300.2236 97.4265 130.4900 556146.5249 2.7694 2.8075 PRESSURE: 4076200 239.874 42.0769 -126.743 42.0759 142.099 -109.937 -126.742 -109.938 396.222 GPRESSURE: 4076200 307.513 61.7014 -161.235 106.423 129.747 -98.3394 -55.2479 -113.968 432.255 PRESSAVG: 4076200 21.0319 7.42678 -38.9284 7.42679 -10.8226 -60.0181 -38.9284 -60.0182 -18.5293 GPRESSAVG: 4076200 20.5468 5.24865 -35.8578 6.9644 -11.4082 -60.4287 -41.5459 -59.5265 -17.5666 TIMING: 4076200 CPU: 11846.3, 0.00290262/step Wall: 11846.3, 0.00290262/step, 0.744844 hours remaining, 207.761719 MB of memory in use. ENERGY: 4076200 706.3893 2091.3781 1941.9601 114.0053 -206474.2369 18043.3043 0.0000 0.0000 34432.1470 -149145.0528 300.7045 -183577.1998 -149050.5365 300.1249 259.3982 289.8383 557604.7122 -2.7733 -2.8093 LDB: ============= START OF LOAD BALANCING ============== 11849.7 LDB: ============== END OF LOAD BALANCING =============== 11849.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11849.7 LDB: ============= START OF LOAD BALANCING ============== 11850 LDB: Largest compute 4848 load 0.030466 is 25.9% of average load 0.117797 LDB: Average compute 0.001735 is 1.5% of average load 0.117797 LDB: TIME 11850 LOAD: AVG 0.117797 MAX 0.182474 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.211 MB LDB: TIME 11850 LOAD: AVG 0.117797 MAX 0.182474 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.414 MB LDB: TIME 11850 LOAD: AVG 0.117797 MAX 0.182474 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11850 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11850 PRESSURE: 4076400 109.354 101.099 -157.56 101.099 -2.50912 77.5154 -157.56 77.515 -109.468 GPRESSURE: 4076400 124.116 127.649 -176.698 34.3574 94.7784 76.9688 -140.284 138.339 -134.753 PRESSAVG: 4076400 22.4831 -7.30181 -18.022 -7.30173 -5.13804 15.6362 -18.0221 15.6363 -5.95523 GPRESSAVG: 4076400 23.3305 -6.16669 -18.7523 -7.57086 -5.10335 16.6797 -16.1118 16.4441 -7.15468 TIMING: 4076400 CPU: 11846.9, 0.00297123/step Wall: 11846.9, 0.00297123/step, 0.762284 hours remaining, 207.355469 MB of memory in use. ENERGY: 4076400 712.0918 2099.4397 1972.2320 109.0044 -206233.8398 17825.9759 0.0000 0.0000 34259.1657 -149255.9303 299.1938 -183515.0960 -149151.2339 299.3318 -0.8742 28.0472 556870.7058 3.7966 3.6908 PRESSURE: 4076600 276.299 135.184 -24.1897 135.183 232.193 77.9129 -24.1893 77.9128 -93.9777 GPRESSURE: 4076600 350.846 176.952 16.6522 99.4366 238.837 -13.829 -19.3693 162.845 -87.5416 PRESSAVG: 4076600 109.314 8.7895 -47.4372 8.78947 -1.89186 -9.90712 -47.4373 -9.90709 -98.5483 GPRESSAVG: 4076600 109.49 9.0075 -45.9529 8.9279 -3.24745 -12.1897 -50.041 -6.19724 -97.0312 TIMING: 4076600 CPU: 11847.5, 0.00292662/step Wall: 11847.5, 0.00292662/step, 0.750679 hours remaining, 207.597656 MB of memory in use. ENERGY: 4076600 733.9938 2099.0876 1981.9235 115.2327 -206479.5916 18045.1581 0.0000 0.0000 34331.9102 -149172.2855 299.8291 -183504.1958 -149079.7721 299.4235 138.1716 167.3804 558128.2620 2.9579 3.0705 PRESSURE: 4076800 47.2528 -0.535866 90.5395 -0.536426 -36.0559 50.2898 90.5398 50.2893 -166.147 GPRESSURE: 4076800 102.104 -50.0601 35.9456 -4.73454 -70.9211 63.0341 91.2029 -19.0466 -98.5841 PRESSAVG: 4076800 13.6871 1.1054 8.00291 1.10533 -15.2749 10.2189 8.00299 10.2188 36.844 GPRESSAVG: 4076800 12.9724 -1.62376 4.56854 2.50352 -14.3942 13.6477 8.44911 6.08984 36.3269 TIMING: 4076800 CPU: 11848, 0.00290397/step Wall: 11848, 0.00290397/step, 0.744708 hours remaining, 207.597656 MB of memory in use. ENERGY: 4076800 750.0059 2083.7108 1978.1064 126.0138 -206440.7108 17976.1448 0.0000 0.0000 34278.7578 -149247.9714 299.3649 -183526.7292 -149152.4769 299.9226 -51.6501 -22.4672 557957.3442 11.7521 11.6350 PRESSURE: 4077000 -180.718 11.0902 -173.729 11.0915 -72.2841 -37.2025 -173.729 -37.2033 -41.5171 GPRESSURE: 4077000 -129.05 19.0685 -148.867 63.5768 -79.7193 -64.8444 -90.9506 -81.3975 30.0307 PRESSAVG: 4077000 -23.9741 -22.1061 24.7957 -22.106 -4.1598 -25.8801 24.7957 -25.8801 -5.28728 GPRESSAVG: 4077000 -23.8121 -21.0595 26.5908 -23.0277 -4.7194 -27.0259 27.0583 -25.2777 -4.86127 TIMING: 4077000 CPU: 11848.6, 0.00288793/step Wall: 11848.6, 0.00288793/step, 0.740432 hours remaining, 207.597656 MB of memory in use. ENERGY: 4077000 770.0300 2135.9367 1970.5671 116.8212 -206341.5703 17764.8280 0.0000 0.0000 34201.4034 -149381.9838 298.6894 -183583.3872 -149286.7412 298.8945 -98.1731 -59.5797 557241.3838 -11.1404 -11.1309 PRESSURE: 4077200 132.15 -43.7744 28.3332 -43.7755 124.14 47.6751 28.3328 47.6749 -31.7794 GPRESSURE: 4077200 132.734 -31.0526 71.0413 -37.881 152.666 80.6777 28.2909 -1.78389 35.2123 PRESSAVG: 4077200 -16.9844 -42.6483 50.6706 -42.6483 18.7019 -31.6907 50.6707 -31.6907 34.6494 GPRESSAVG: 4077200 -17.7071 -42.4694 51.9861 -42.5217 18.683 -30.6036 50.3323 -30.61 34.7345 TIMING: 4077200 CPU: 11849.2, 0.00289572/step Wall: 11849.2, 0.00289571/step, 0.742268 hours remaining, 207.597656 MB of memory in use. ENERGY: 4077200 775.4959 2061.2626 1943.2054 124.5964 -206512.0344 18044.6473 0.0000 0.0000 34188.6202 -149374.2066 298.5777 -183562.8268 -149274.8258 299.1290 74.8368 106.8708 556280.3023 12.1223 11.9035 PRESSURE: 4077400 -112.535 -182.92 2.10037 -182.919 131.493 64.5016 2.10021 64.5024 132.389 GPRESSURE: 4077400 -88.6048 -180.163 -2.08006 -115.373 187.832 119.623 33.9634 -8.23713 144.546 PRESSAVG: 4077400 -39.811 -21.3673 -20.2822 -21.3673 44.0371 -13.3968 -20.2822 -13.3967 26.203 GPRESSAVG: 4077400 -39.5607 -19.539 -21.8683 -21.5335 44.1788 -14.064 -20.4025 -13.5002 25.7881 TIMING: 4077400 CPU: 11849.8, 0.00291011/step Wall: 11849.8, 0.00291011/step, 0.745797 hours remaining, 207.667969 MB of memory in use. ENERGY: 4077400 764.6724 2170.0864 1960.4460 119.4910 -206201.2457 17713.0507 0.0000 0.0000 34200.5591 -149272.9400 298.6820 -183473.4991 -149178.6939 299.0603 50.4490 81.2577 556627.4378 10.1430 10.1354 PRESSURE: 4077600 69.4386 -11.9204 1.36234 -11.922 235.628 -87.4921 1.3623 -87.4916 109.394 GPRESSURE: 4077600 108.134 -4.13206 93.252 -44.8393 235.069 -135.878 -7.44098 -76.9374 163.848 PRESSAVG: 4077600 -86.7467 -25.0357 15.8849 -25.0358 41.403 21.7557 15.8849 21.7557 58.6159 GPRESSAVG: 4077600 -86.0557 -25.892 17.2078 -26.2504 40.4346 22.3114 13.8955 19.8513 58.4786 TIMING: 4077600 CPU: 11850.4, 0.00291897/step Wall: 11850.4, 0.00291897/step, 0.747906 hours remaining, 207.667969 MB of memory in use. ENERGY: 4077600 712.5126 2098.7086 1982.5441 102.9594 -206480.2517 17935.4106 0.0000 0.0000 34510.1806 -149137.9357 301.3860 -183648.1163 -149046.5853 300.0097 138.1535 169.0171 557466.8553 4.4240 4.2858 PRESSURE: 4077800 18.8042 -21.0108 95.2346 -21.0109 -21.7406 45.8241 95.2334 45.8227 55.1897 GPRESSURE: 4077800 88.2774 -43.8016 58.7699 51.0782 53.7699 2.53766 56.8167 59.0143 13.2612 PRESSAVG: 4077800 -52.3157 18.4147 38.3881 18.4146 -25.3288 11.2797 38.3881 11.2797 55.5141 GPRESSAVG: 4077800 -52.6493 17.943 35.361 19.5976 -24.1645 10.2507 39.8531 13.3612 54.9681 TIMING: 4077800 CPU: 11850.9, 0.00289369/step Wall: 11850.9, 0.00289369/step, 0.741267 hours remaining, 207.667969 MB of memory in use. ENERGY: 4077800 746.2616 2021.5753 1982.6645 122.7024 -206242.9608 17867.0450 0.0000 0.0000 34321.0274 -149181.6847 299.7341 -183502.7120 -149074.6660 299.0215 17.4178 51.7695 557517.3784 -7.3768 -7.2819 PRESSURE: 4078000 -123.266 83.9432 35.2118 83.9428 -92.1385 -64.4594 35.2118 -64.4583 -208.202 GPRESSURE: 4078000 -34.6782 3.49691 19.6865 69.5597 -108.59 -83.7385 49.5269 24.872 -178.858 PRESSAVG: 4078000 -3.12862 33.6209 22.9808 33.6208 9.93618 19.7701 22.9808 19.7701 44.1554 GPRESSAVG: 4078000 -3.48808 33.8519 24.06 32.0537 8.94557 18.4393 23.6783 19.8312 45.5304 TIMING: 4078000 CPU: 11851.5, 0.0028793/step Wall: 11851.5, 0.0028793/step, 0.737421 hours remaining, 207.667969 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: 4078000 787.3162 2110.0231 1949.2689 105.6902 -206203.5541 17733.1960 0.0000 0.0000 34390.2797 -149127.7799 300.3389 -183518.0596 -149034.2866 298.8136 -141.2023 -107.3754 558431.3505 16.9877 16.9959 PRESSURE: 4078200 252.77 -6.28006 -42.0531 -6.27967 -86.7752 265.543 -42.052 265.543 -5.02256 GPRESSURE: 4078200 257.547 -34.1266 -45.2977 -55.8991 -47.8392 254.659 -37.3345 274.143 40.0725 PRESSAVG: 4078200 -1.58118 72.2349 -1.90145 72.2348 30.7872 59.7198 -1.90148 59.7198 -21.0701 GPRESSAVG: 4078200 -1.32199 71.356 -0.422372 75.2864 31.166 60.0834 -4.02272 57.5483 -22.0367 TIMING: 4078200 CPU: 11852.1, 0.00289083/step Wall: 11852.1, 0.00289083/step, 0.740214 hours remaining, 207.667969 MB of memory in use. ENERGY: 4078200 736.7492 2092.4836 1949.8181 118.2953 -206241.4205 17948.0344 0.0000 0.0000 34566.0262 -148830.0136 301.8737 -183396.0398 -148731.6837 300.3916 53.6576 83.2600 558338.4323 2.7120 2.6024 PRESSURE: 4078400 70.2006 73.7402 97.2719 73.7397 117.642 20.2042 97.2728 20.205 -215.063 GPRESSURE: 4078400 89.4085 149.551 129.913 -100.337 106.413 -10.0139 107.534 55.7458 -119.794 PRESSAVG: 4078400 -41.1307 31.8625 27.3822 31.8625 21.7973 12.8317 27.3822 12.8317 8.25588 GPRESSAVG: 4078400 -42.1798 33.2214 27.3656 29.0977 22.3619 12.1174 28.4348 14.908 8.41056 TIMING: 4078400 CPU: 11852.7, 0.00290067/step Wall: 11852.7, 0.00290067/step, 0.742572 hours remaining, 207.667969 MB of memory in use. ENERGY: 4078400 732.8012 2120.1571 1937.3766 107.2752 -205836.5979 17767.4135 0.0000 0.0000 34179.2099 -148992.3644 298.4955 -183171.5743 -148895.8290 299.8065 -9.0733 25.3426 558970.1279 -3.6925 -3.8024 PRESSURE: 4078600 -51.2355 -31.2984 189.932 -31.2992 -249.235 -8.80224 189.932 -8.80373 -61.5773 GPRESSURE: 4078600 -12.1793 -57.5628 176.717 2.29363 -200.332 -81.1951 169.06 -20.7715 -65.0088 PRESSAVG: 4078600 14.4632 43.9182 25.763 43.9182 -36.5813 37.8952 25.7629 37.8952 43.3772 GPRESSAVG: 4078600 14.8949 40.9317 24.3316 43.5404 -36.6641 39.5597 27.7217 34.9331 43.2127 TIMING: 4078600 CPU: 11853.3, 0.00288733/step Wall: 11853.3, 0.00288733/step, 0.738995 hours remaining, 207.667969 MB of memory in use. ENERGY: 4078600 762.0277 2109.3277 1935.3833 115.0728 -205728.3122 17593.9230 0.0000 0.0000 34188.9280 -149023.6498 298.5804 -183212.5777 -148932.1752 299.6803 -120.6826 -92.5065 558149.9362 7.0864 7.1478 PRESSURE: 4078800 -119.99 -42.1863 -13.479 -42.1846 245.86 46.1057 -13.4789 46.105 62.0468 GPRESSURE: 4078800 -146.299 -74.2693 -43.262 -22.2632 288.576 30.3273 16.9431 59.4382 132.373 PRESSAVG: 4078800 5.98637 -50.0179 45.8968 -50.0179 -3.88853 102.463 45.8968 102.463 -32.4862 GPRESSAVG: 4078800 5.35712 -48.8651 44.9611 -48.676 -3.78666 101.366 43.9549 104.497 -32.2349 TIMING: 4078800 CPU: 11853.8, 0.00289167/step Wall: 11853.8, 0.00289167/step, 0.739947 hours remaining, 207.667969 MB of memory in use. ENERGY: 4078800 752.6735 2161.7279 1965.1862 115.9157 -205894.1920 17771.4150 0.0000 0.0000 34001.7063 -149125.5675 296.9454 -183127.2738 -149028.4912 299.8325 62.6390 91.5500 558010.5196 -10.1295 -10.2215 PRESSURE: 4079000 78.7378 52.6785 81.8917 52.6789 261.314 -160.171 81.8916 -160.169 -85.3457 GPRESSURE: 4079000 130.496 -17.2199 98.84 85.7555 308.308 -185.162 115.896 -71.7267 -87.1904 PRESSAVG: 4079000 -25.983 -15.7082 1.98147 -15.7083 41.1277 34.4709 1.98144 34.4709 -12.6474 GPRESSAVG: 4079000 -25.8304 -15.0585 2.80154 -17.0358 40.7455 35.4636 1.47458 34.1825 -12.4088 TIMING: 4079000 CPU: 11854.4, 0.0029227/step Wall: 11854.4, 0.0029227/step, 0.747724 hours remaining, 207.667969 MB of memory in use. ENERGY: 4079000 729.7703 2099.2387 2000.8961 103.8641 -206471.7860 18031.1352 0.0000 0.0000 34401.5144 -149105.3672 300.4370 -183506.8816 -149010.1036 299.4924 84.9020 117.2046 557395.2814 0.8324 0.8355 PRESSURE: 4079200 -243.678 5.01582 -54.8184 5.01784 28.86 104.313 -54.8197 104.312 -174.205 GPRESSURE: 4079200 -158.232 -13.2343 -60.251 35.6598 -3.1214 85.5244 -46.6754 120.045 -121.39 PRESSAVG: 4079200 10.8553 -54.9673 42.8963 -54.9673 -16.5997 36.4453 42.8964 36.4453 -41.6929 GPRESSAVG: 4079200 10.7884 -55.8042 43.3635 -53.5985 -15.4157 34.2675 42.2811 37.2554 -42.5265 TIMING: 4079200 CPU: 11855, 0.00292106/step Wall: 11855, 0.00292106/step, 0.747143 hours remaining, 207.667969 MB of memory in use. ENERGY: 4079200 789.5283 2097.3951 1953.7670 110.5083 -206191.5417 17697.6975 0.0000 0.0000 34254.8727 -149287.7727 299.1563 -183542.6454 -149189.0424 299.5586 -129.6743 -94.2476 557496.8699 -15.8125 -15.7179 PRESSURE: 4079400 -13.176 45.3847 125.459 45.384 28.7286 52.0779 125.461 52.0773 -125.967 GPRESSURE: 4079400 9.11694 33.2914 156.428 5.02158 73.1001 30.9512 115.741 53.3924 -106.387 PRESSAVG: 4079400 13.2811 31.6661 4.02486 31.6661 -6.21723 -1.09461 4.02484 -1.09462 -40.2635 GPRESSAVG: 4079400 13.6101 32.3521 3.2881 31.4605 -7.87113 -0.991817 4.95577 -1.05703 -38.9298 TIMING: 4079400 CPU: 11855.6, 0.00289171/step Wall: 11855.6, 0.00289171/step, 0.739474 hours remaining, 207.667969 MB of memory in use. ENERGY: 4079400 758.2702 2109.5173 1948.3317 110.4711 -206430.6984 17890.4863 0.0000 0.0000 34243.1624 -149370.4594 299.0541 -183613.6218 -149259.6768 298.1419 -36.8048 -8.0567 557219.1423 -11.0665 -11.0636 PRESSURE: 4079600 -115.565 -1.66813 -124.45 -1.66881 -74.6981 -8.69634 -124.45 -8.69634 -73.9994 GPRESSURE: 4079600 -70.1381 -50.8511 -96.9267 -10.4634 -71.4313 14.9707 -160.997 -38.1395 -27.8731 PRESSAVG: 4079600 3.55749 26.2883 -22.5399 26.2882 41.2427 9.22919 -22.5399 9.22925 12.2438 GPRESSAVG: 4079600 3.22467 26.046 -20.7355 25.9883 41.4312 9.79821 -24.0354 10.2519 12.5459 TIMING: 4079600 CPU: 11856.2, 0.00290408/step Wall: 11856.2, 0.00290408/step, 0.742475 hours remaining, 207.667969 MB of memory in use. ENERGY: 4079600 773.0101 2103.5779 1979.5482 114.6018 -206112.9446 17675.2637 0.0000 0.0000 34348.9229 -149118.0200 299.9777 -183466.9429 -149024.2774 299.1885 -88.0874 -56.4809 557136.2203 19.0147 19.0672 PRESSURE: 4079800 -71.4006 129.422 -167.915 129.421 -42.0694 -199.079 -167.915 -199.079 100.769 GPRESSURE: 4079800 -36.8483 75.5968 -196.532 129.837 -4.35416 -138.155 -176.681 -209.867 119.099 PRESSAVG: 4079800 21.9314 -21.4319 -25.3918 -21.4319 1.74701 -16.3735 -25.3917 -16.3734 -26.7385 GPRESSAVG: 4079800 22.1415 -22.0723 -28.0486 -19.0996 1.71596 -16.4872 -23.7218 -17.4217 -27.0425 TIMING: 4079800 CPU: 11856.7, 0.00288385/step Wall: 11856.7, 0.00288385/step, 0.737144 hours remaining, 207.667969 MB of memory in use. ENERGY: 4079800 768.1855 2094.9642 1978.4271 106.9879 -206135.4503 17893.6263 0.0000 0.0000 34346.5670 -148946.6924 299.9571 -183293.2593 -148853.4798 299.8754 -4.2338 25.9655 557912.8928 -1.0200 -1.0617 PRESSURE: 4080000 -254.555 -200.428 151.368 -200.429 -307.768 -33.5746 151.368 -33.5741 -127.289 GPRESSURE: 4080000 -243.161 -218.926 164.503 -177.707 -192.001 49.4577 98.5367 -77.8001 -149.99 PRESSAVG: 4080000 40.0368 -25.7028 -5.17893 -25.703 -51.8517 -32.0734 -5.17894 -32.0733 16.1888 GPRESSAVG: 4080000 39.3847 -23.8527 -3.94853 -27.6383 -50.4026 -32.9133 -6.57516 -31.7523 15.7672 TIMING: 4080000 CPU: 11857.3, 0.00289683/step Wall: 11857.3, 0.00289683/step, 0.740301 hours remaining, 207.667969 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: 4080000 759.6652 2098.4490 1982.7388 121.0128 -205968.1976 17639.2635 0.0000 0.0000 34409.0323 -148958.0360 300.5026 -183367.0683 -148857.3316 299.7498 -229.8707 -195.0505 558830.2308 1.4579 1.5831 PRESSURE: 4080200 -197.034 -99.964 50.3401 -99.9641 -192.096 -38.5668 50.3404 -38.5683 -132.471 GPRESSURE: 4080200 -124.517 -80.3009 110.743 -82.9667 -225.011 -29.215 -30.8396 -83.7965 -70.8746 PRESSAVG: 4080200 -45.4835 9.05166 45.0203 9.05155 26.4158 16.7208 45.0202 16.721 19.8068 GPRESSAVG: 4080200 -44.1721 6.02033 44.9129 9.17378 25.9644 19.2839 46.6955 14.2734 19.1471 TIMING: 4080200 CPU: 11857.9, 0.00290717/step Wall: 11857.9, 0.00290717/step, 0.742783 hours remaining, 207.667969 MB of memory in use. ENERGY: 4080200 754.7259 2078.2874 1945.8778 99.0956 -205819.1061 17608.9583 0.0000 0.0000 34410.7170 -148921.4442 300.5173 -183332.1612 -148829.4198 299.8495 -173.8668 -140.1342 559589.8415 0.2464 0.3131 LDB: ============= START OF LOAD BALANCING ============== 11861.4 LDB: ============== END OF LOAD BALANCING =============== 11861.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11861.4 LDB: ============= START OF LOAD BALANCING ============== 11861.7 LDB: Largest compute 4848 load 0.029599 is 25.1% of average load 0.117848 LDB: Average compute 0.001728 is 1.5% of average load 0.117848 LDB: TIME 11861.7 LOAD: AVG 0.117848 MAX 0.184532 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 11861.7 LOAD: AVG 0.117848 MAX 0.184532 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: TIME 11861.7 LOAD: AVG 0.117848 MAX 0.184532 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.34 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11861.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11861.7 PRESSURE: 4080400 25.023 -283.418 -98.962 -283.419 -42.0505 -120.862 -98.9611 -120.861 -78.3918 GPRESSURE: 4080400 53.6368 -290.101 -66.7767 -302.929 -11.8357 -50.5937 -192.965 -90.0871 -39.9863 PRESSAVG: 4080400 7.23485 -45.4014 36.6364 -45.4014 21.3616 17.316 36.6364 17.3158 6.58654 GPRESSAVG: 4080400 6.10347 -43.367 36.5092 -46.3216 21.4562 15.934 34.6355 18.6108 7.3746 TIMING: 4080400 CPU: 11858.5, 0.00299158/step Wall: 11858.5, 0.00299158/step, 0.764182 hours remaining, 207.617188 MB of memory in use. ENERGY: 4080400 727.0311 2072.5751 1989.2483 114.0294 -206122.9458 17797.9725 0.0000 0.0000 34478.5657 -148943.5237 301.1099 -183422.0894 -148846.0224 299.7773 -31.8064 0.6049 558939.4442 11.7277 11.6448 PRESSURE: 4080600 90.9988 -7.65403 107.568 -7.65413 -44.8675 -91.4002 107.568 -91.3999 141.145 GPRESSURE: 4080600 108.026 0.302113 80.8901 5.82496 11.3257 -39.477 -2.65261 -66.428 177.171 PRESSAVG: 4080600 -58.4797 -0.617973 -5.5913 -0.618084 43.737 24.1296 -5.59124 24.1296 6.42653 GPRESSAVG: 4080600 -58.5972 -1.44807 -6.52955 -0.137777 43.4899 23.7656 -3.02698 26.5312 6.85649 TIMING: 4080600 CPU: 11859.1, 0.00290482/step Wall: 11859.1, 0.00290482/step, 0.741859 hours remaining, 207.820312 MB of memory in use. ENERGY: 4080600 752.7784 2067.5664 1964.5722 108.9587 -206146.4475 17909.7691 0.0000 0.0000 34414.5197 -148928.2830 300.5506 -183342.8027 -148839.7029 299.8517 62.4255 98.8410 558950.0761 -2.7721 -2.7503 PRESSURE: 4080800 69.8904 13.2415 46.2935 13.2428 -48.3167 -57.8983 46.2934 -57.8973 87.7132 GPRESSURE: 4080800 147.345 43.6464 82.1428 12.6059 -53.9658 -1.00896 -6.02899 -40.2308 111.755 PRESSAVG: 4080800 29.675 -25.2908 4.60603 -25.2909 -18.0622 -64.6061 4.60601 -64.6061 -1.91136 GPRESSAVG: 4080800 29.9722 -25.161 5.51741 -26.916 -19.1524 -65.5092 2.22792 -64.3856 -1.00975 TIMING: 4080800 CPU: 11859.7, 0.0029267/step Wall: 11859.7, 0.0029267/step, 0.747285 hours remaining, 207.992188 MB of memory in use. ENERGY: 4080800 720.0566 2125.9296 1956.3361 115.4027 -206170.6833 17876.3945 0.0000 0.0000 34260.8817 -149115.6822 299.2088 -183376.5639 -149017.8346 299.7667 36.4289 68.3780 557252.2767 3.2338 3.2700 PRESSURE: 4081000 -129.034 -44.9899 -157.968 -44.9915 -86.4411 67.4562 -157.968 67.4555 -171.368 GPRESSURE: 4081000 -126.072 7.41666 -106.716 -70.4952 -38.4146 40.8564 -140.665 29.5795 -129.893 PRESSAVG: 4081000 -9.29731 15.897 8.66493 15.897 9.10294 -29.1472 8.66494 -29.1471 11.1873 GPRESSAVG: 4081000 -10.9982 17.2791 8.43867 17.0044 11.1685 -27.0338 8.66781 -32.4737 10.4836 TIMING: 4081000 CPU: 11860.2, 0.00290745/step Wall: 11860.2, 0.00290745/step, 0.742206 hours remaining, 207.992188 MB of memory in use. ENERGY: 4081000 741.6771 2094.1173 1979.5195 102.4527 -205988.6413 17586.7721 0.0000 0.0000 34372.2498 -149111.8528 300.1814 -183484.1026 -149020.4954 299.7129 -128.9479 -98.1264 557146.3572 3.6643 3.5513 PRESSURE: 4081200 194.553 -23.9195 1.31994 -23.9198 36.9155 266.912 1.32078 266.911 -341.348 GPRESSURE: 4081200 233.955 -20.7073 -26.142 -10.7581 60.9642 294.083 -15.655 235.496 -304.54 PRESSAVG: 4081200 15.2879 -35.2975 -4.75634 -35.2974 17.2068 -15.1453 -4.75629 -15.1453 -6.07953 GPRESSAVG: 4081200 15.6822 -36.4467 -3.7215 -36.1251 16.2034 -16.9525 -4.34229 -13.8686 -5.26259 TIMING: 4081200 CPU: 11860.8, 0.00291525/step Wall: 11860.8, 0.00291525/step, 0.744036 hours remaining, 207.992188 MB of memory in use. ENERGY: 4081200 761.5759 2107.4123 1961.3034 122.2509 -206155.0323 17756.7276 0.0000 0.0000 34151.5851 -149294.1772 298.2543 -183445.7622 -149197.8192 299.4205 -36.6263 -3.2070 557397.9801 8.8051 8.8743 PRESSURE: 4081400 210.625 -52.1845 -107.713 -52.1837 -98.8453 67.9459 -107.712 67.946 -134.453 GPRESSURE: 4081400 240.861 -122.836 -151.994 -20.004 -71.442 24.2693 -142.765 64.9257 -88.6557 PRESSAVG: 4081400 20.102 -44.0608 26.2847 -44.0608 -20.0771 50.3039 26.2848 50.3039 15.0829 GPRESSAVG: 4081400 21.0754 -44.8504 25.3723 -42.539 -20.9539 50.8935 27.6396 50.2053 15.0998 TIMING: 4081400 CPU: 11861.4, 0.00294791/step Wall: 11861.4, 0.00294791/step, 0.752208 hours remaining, 207.992188 MB of memory in use. ENERGY: 4081400 736.4407 2160.9870 1951.9004 121.1062 -206279.8166 17840.8674 0.0000 0.0000 34135.0027 -149333.5122 298.1095 -183468.5149 -149236.1437 299.0148 -7.5578 26.9211 557828.0227 5.0359 5.0738 PRESSURE: 4081600 -35.6267 -39.0972 33.0863 -39.0963 -68.4456 -37.3687 33.0849 -37.3701 181.724 GPRESSURE: 4081600 17.5682 -6.21421 82.2863 35.7254 -67.3999 44.5117 -12.225 -21.606 229.604 PRESSAVG: 4081600 16.8182 9.52161 31.2443 9.52157 -9.6904 27.8934 31.2443 27.8933 -6.36382 GPRESSAVG: 4081600 16.9058 11.2217 31.7247 9.15663 -8.98677 28.5242 30.1433 28.2281 -7.66479 TIMING: 4081600 CPU: 11862, 0.00291589/step Wall: 11862, 0.00291589/step, 0.743877 hours remaining, 207.992188 MB of memory in use. ENERGY: 4081600 741.2994 2025.2462 1998.1874 118.6090 -206221.4910 17742.0622 0.0000 0.0000 34247.7773 -149348.3096 299.0944 -183596.0868 -149252.3323 298.6613 25.8839 59.9242 556726.9100 0.2547 0.0848 PRESSURE: 4081800 -51.4885 13.5342 42.9773 13.5353 -51.7603 -59.085 42.9768 -59.0867 -86.465 GPRESSURE: 4081800 -20.5072 37.1858 43.5746 36.2034 -25.8557 28.7701 58.6872 -140.326 -47.6127 PRESSAVG: 4081800 18.6323 7.38029 31.1186 7.38025 12.8022 13.6009 31.1186 13.6009 -25.6891 GPRESSAVG: 4081800 17.5677 6.67146 29.2959 7.72726 12.4761 13.4745 33.0543 12.8647 -24.6448 TIMING: 4081800 CPU: 11862.6, 0.00291834/step Wall: 11862.6, 0.00291834/step, 0.744338 hours remaining, 207.992188 MB of memory in use. ENERGY: 4081800 737.1536 2090.2524 1942.2467 110.9327 -206331.4285 17694.5297 0.0000 0.0000 34296.5401 -149459.7734 299.5202 -183756.3135 -149360.2229 299.6713 -63.2379 -31.3252 555937.1365 1.9152 1.7997 PRESSURE: 4082000 -106.244 -89.3796 -31.6889 -89.381 -68.241 25.8794 -31.688 25.881 -26.6278 GPRESSURE: 4082000 -97.9308 -106.632 16.9271 -6.52494 -33.4034 -6.71505 -37.1819 57.7202 21.194 PRESSAVG: 4082000 -28.0212 -59.436 42.2786 -59.4362 -13.3484 32.6757 42.2786 32.6758 23.8902 GPRESSAVG: 4082000 -26.5846 -59.1257 42.7479 -59.8367 -14.0893 34.7461 40.5616 32.1216 22.8055 TIMING: 4082000 CPU: 11863.2, 0.00292787/step Wall: 11863.2, 0.00292787/step, 0.746607 hours remaining, 207.992188 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: 4082000 758.4070 2078.3609 1981.9139 113.8386 -206282.8822 17729.3499 0.0000 0.0000 34074.2318 -149546.7801 297.5787 -183621.0119 -149451.5084 299.0669 -67.0377 -36.7134 556811.8405 -5.8265 -5.9561 PRESSURE: 4082200 219.32 70.0552 36.4272 70.0564 46.2358 -24.3219 36.4273 -24.3211 68.5841 GPRESSURE: 4082200 238.393 73.0409 9.97889 46.451 74.8081 -75.3592 8.74825 -39.7684 123.843 PRESSAVG: 4082200 -30.0445 -28.8753 -2.82365 -28.8753 -5.46179 -14.8651 -2.82353 -14.8652 41.6105 GPRESSAVG: 4082200 -31.0207 -29.7513 -0.432609 -27.922 -4.02566 -17.3614 -3.47325 -14.4405 41.0276 TIMING: 4082200 CPU: 11863.8, 0.0029256/step Wall: 11863.8, 0.0029256/step, 0.745866 hours remaining, 207.992188 MB of memory in use. ENERGY: 4082200 733.7617 2073.1631 2002.4638 118.3810 -206658.9710 18001.7428 0.0000 0.0000 34241.7065 -149487.7520 299.0413 -183729.4586 -149392.9158 298.6664 111.3800 145.6814 556126.1277 2.0348 1.9937 PRESSURE: 4082400 18.6344 33.9236 -82.2019 33.9237 169.814 70.4288 -82.203 70.43 330.347 GPRESSURE: 4082400 50.1858 10.1901 -58.4915 24.9004 236.558 144.724 -69.8606 87.142 312.223 PRESSAVG: 4082400 -17.6363 -18.046 -9.87717 -18.0459 35.2493 -5.13248 -9.87708 -5.13245 -43.7277 GPRESSAVG: 4082400 -17.7916 -19.093 -10.1469 -19.9896 34.3703 -6.73064 -9.22314 -3.0175 -43.0018 TIMING: 4082400 CPU: 11864.3, 0.00289732/step Wall: 11864.3, 0.00289732/step, 0.738494 hours remaining, 207.992188 MB of memory in use. ENERGY: 4082400 788.8840 2052.1081 1975.8772 109.6731 -206415.8186 18045.3329 0.0000 0.0000 34113.6673 -149330.2760 297.9231 -183443.9433 -149239.9926 299.0132 172.9320 199.6557 556435.3050 -8.7049 -8.8077 PRESSURE: 4082600 90.6037 -60.0945 -121.651 -60.0951 -144.115 -62.5474 -121.651 -62.5484 -312.993 GPRESSURE: 4082600 74.3135 -41.7058 -101.567 -36.2305 -81.2006 -127.848 -149.016 -55.2741 -261.666 PRESSAVG: 4082600 34.4342 -25.1898 -13.3627 -25.1899 58.5546 -10.1703 -13.3627 -10.1704 -75.6016 GPRESSAVG: 4082600 34.5443 -24.6692 -14.5382 -23.9147 58.3916 -10.5541 -13.8259 -10.5178 -76.0114 TIMING: 4082600 CPU: 11864.9, 0.0028951/step Wall: 11864.9, 0.0028951/step, 0.737767 hours remaining, 207.992188 MB of memory in use. ENERGY: 4082600 753.9932 2027.4062 1958.0873 118.8481 -206171.1431 17687.5557 0.0000 0.0000 34262.9374 -149362.3153 299.2268 -183625.2527 -149259.6993 299.2263 -122.1683 -89.5176 558396.9334 5.7958 5.6415 PRESSURE: 4082800 -100.647 92.929 19.2782 92.9289 -240.961 32.9956 19.2781 32.9962 27.4129 GPRESSURE: 4082800 -54.0902 176.138 -1.4468 85.4966 -233.639 69.679 36.394 5.47325 70.861 PRESSAVG: 4082800 3.30146 -14.6985 30.0896 -14.6986 -22.7005 6.91191 30.0896 6.91186 11.9083 GPRESSAVG: 4082800 2.6007 -13.3367 31.182 -15.0446 -22.8781 10.1944 29.0496 4.5254 12.9787 TIMING: 4082800 CPU: 11865.5, 0.00291448/step Wall: 11865.5, 0.00291448/step, 0.742546 hours remaining, 207.992188 MB of memory in use. ENERGY: 4082800 766.5154 2105.7438 1969.6296 112.3102 -206680.9850 17783.4485 0.0000 0.0000 34336.8559 -149606.4815 299.8723 -183943.3374 -149513.7080 298.1261 -104.7317 -72.2894 557095.0195 -2.4969 -2.4329 PRESSURE: 4083000 -245.312 26.8128 -58.0902 26.8122 118.38 -31.5618 -58.0897 -31.5626 146.241 GPRESSURE: 4083000 -152.475 23.2194 8.17453 24.6366 138.587 48.9047 -88.5195 -85.607 135.477 PRESSAVG: 4083000 -38.8106 -11.1557 1.67588 -11.1557 47.8174 52.0773 1.67591 52.0774 -46.3371 GPRESSAVG: 4083000 -37.3841 -11.1228 0.298276 -11.717 47.7823 51.8367 4.83746 53.5524 -47.9338 TIMING: 4083000 CPU: 11866.1, 0.00290853/step Wall: 11866.1, 0.00290853/step, 0.740868 hours remaining, 207.992188 MB of memory in use. ENERGY: 4083000 708.2905 2136.5555 1954.7932 114.3075 -206652.3717 17933.6993 0.0000 0.0000 34264.2352 -149540.4905 299.2381 -183804.7257 -149447.0489 298.5261 6.4363 40.5297 558589.2620 -12.4434 -12.5119 PRESSURE: 4083200 -96.8741 81.7052 29.4804 81.705 -15.4986 123.703 29.4795 123.705 231.466 GPRESSURE: 4083200 -53.6875 103.711 36.3841 -18.1782 27.5197 139.209 -58.2999 39.4957 247.901 PRESSAVG: 4083200 -10.7509 30.6764 -17.3281 30.6764 -29.3202 48.4077 -17.3283 48.4076 19.3417 GPRESSAVG: 4083200 -11.0611 29.2215 -18.4041 30.8444 -29.2861 47.7692 -18.0712 48.4832 20.0412 TIMING: 4083200 CPU: 11866.7, 0.00291746/step Wall: 11866.7, 0.00291746/step, 0.74298 hours remaining, 207.992188 MB of memory in use. ENERGY: 4083200 735.9863 2082.7860 1959.7116 130.7333 -206654.5393 17959.7593 0.0000 0.0000 34190.5996 -149594.9631 298.5950 -183785.5627 -149499.5460 298.3885 39.6977 73.9110 557679.0597 -6.9098 -6.7687 PRESSURE: 4083400 -149.214 -132.885 54.1974 -132.887 -305.038 7.02625 54.1977 7.02706 -129.004 GPRESSURE: 4083400 -112.724 -164.335 22.2671 -100.966 -231.421 -42.752 85.4794 28.9569 -149.882 PRESSAVG: 4083400 -78.0963 -12.6489 -21.9636 -12.6489 22.1703 -24.6888 -21.9636 -24.6888 6.1686 GPRESSAVG: 4083400 -78.6937 -11.6701 -21.363 -13.6222 23.2854 -24.2566 -22.0529 -26.0623 5.87117 TIMING: 4083400 CPU: 11867.2, 0.00290943/step Wall: 11867.2, 0.00290943/step, 0.740773 hours remaining, 208.054688 MB of memory in use. ENERGY: 4083400 775.1149 2166.9084 1994.2412 121.1460 -205910.1302 17448.3267 0.0000 0.0000 33816.5431 -149587.8498 295.3283 -183404.3929 -149497.6069 297.6908 -194.4187 -164.6757 557004.0037 -16.5858 -16.5124 PRESSURE: 4083600 42.2175 190.582 56.5419 190.583 -99.7683 -44.995 56.5421 -44.9961 25.9365 GPRESSURE: 4083600 68.2253 128.837 49.5052 159.192 -57.1684 -12.9143 5.82103 -70.7032 34.8726 PRESSAVG: 4083600 -50.0075 13.0535 -24.9362 13.0535 40.7167 -12.9692 -24.9362 -12.9691 33.1042 GPRESSAVG: 4083600 -49.5386 11.4156 -24.8559 14.6971 39.381 -13.7515 -25.8033 -12.2133 34.1077 TIMING: 4083600 CPU: 11867.8, 0.00287945/step Wall: 11867.8, 0.00287945/step, 0.732981 hours remaining, 208.054688 MB of memory in use. ENERGY: 4083600 749.3710 2118.4817 1935.2668 109.3743 -206448.7879 17974.8681 0.0000 0.0000 33994.1060 -149567.3201 296.8790 -183561.4260 -149465.4184 298.2638 -10.5381 15.3099 557018.4326 7.9378 7.9834 PRESSURE: 4083800 -205.315 -43.3548 -26.8904 -43.3556 -191.539 44.6767 -26.8914 44.6768 -218.822 GPRESSURE: 4083800 -150.599 73.9065 -32.6332 -77.425 -215.364 23.2141 -27.3407 97.703 -157.107 PRESSAVG: 4083800 -38.6485 12.3985 -59.2909 12.3984 -4.67344 12.6719 -59.2909 12.672 4.40577 GPRESSAVG: 4083800 -38.9155 14.8751 -59.5316 12.0251 -4.33366 13.2885 -58.3795 12.6471 4.2795 TIMING: 4083800 CPU: 11868.4, 0.00286563/step Wall: 11868.4, 0.00286563/step, 0.729303 hours remaining, 208.054688 MB of memory in use. ENERGY: 4083800 752.9280 2073.6201 1930.1626 132.1666 -206405.7935 17565.2264 0.0000 0.0000 34345.3245 -149606.3652 299.9463 -183951.6898 -149511.4515 297.7310 -205.2253 -174.3566 558068.7581 -12.9721 -12.9899 PRESSURE: 4084000 -60.1006 46.174 7.87729 46.1749 111.647 199.416 7.87729 199.417 271.599 GPRESSURE: 4084000 -37.3398 141.012 13.6104 25.9672 187.815 170.079 -9.44606 253.517 280.491 PRESSAVG: 4084000 0.425128 42.1735 -28.6777 42.1735 38.5419 5.11477 -28.6777 5.11475 -45.1092 GPRESSAVG: 4084000 -0.266875 41.5522 -27.1381 41.1852 39.0552 6.81698 -28.3159 4.61956 -44.4737 TIMING: 4084000 CPU: 11869, 0.00288575/step Wall: 11869, 0.00288575/step, 0.734264 hours remaining, 208.054688 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: 4084000 752.9583 2117.0612 1948.1246 106.7738 -206856.6079 18090.5767 0.0000 0.0000 34048.6128 -149792.5004 297.3550 -183841.1132 -149701.3355 297.3887 107.7151 143.6554 556849.3338 -2.0474 -1.8951 PRESSURE: 4084200 65.8769 -11.2752 106.738 -11.2753 -173.136 -175.588 106.736 -175.587 -61.2025 GPRESSURE: 4084200 130.8 -26.0867 129.079 -22.3506 -176.72 -111.415 96.0506 -188.055 -29.4107 PRESSAVG: 4084200 5.97577 -2.97638 -59.1304 -2.97647 -29.4088 69.3215 -59.1304 69.3213 47.0104 GPRESSAVG: 4084200 8.77951 -3.06405 -61.21 -1.16596 -30.0989 67.0407 -59.4189 69.3196 44.8856 TIMING: 4084200 CPU: 11869.5, 0.00288542/step Wall: 11869.5, 0.00288542/step, 0.734019 hours remaining, 208.054688 MB of memory in use. ENERGY: 4084200 738.3653 2076.4722 1929.5895 109.8969 -206894.5193 17986.1979 0.0000 0.0000 34133.9419 -149920.0557 298.1002 -184053.9976 -149822.1855 297.2248 -56.1537 -25.1104 556607.9490 7.8591 7.8554 LDB: ============= START OF LOAD BALANCING ============== 11873 LDB: ============== END OF LOAD BALANCING =============== 11873 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11873 LDB: ============= START OF LOAD BALANCING ============== 11873.3 LDB: Largest compute 4848 load 0.030329 is 25.7% of average load 0.117872 LDB: Average compute 0.001733 is 1.5% of average load 0.117872 LDB: TIME 11873.3 LOAD: AVG 0.117872 MAX 0.179981 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 11873.3 LOAD: AVG 0.117872 MAX 0.179981 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 11873.3 LOAD: AVG 0.117872 MAX 0.179981 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11873.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11873.3 PRESSURE: 4084400 -238.56 123.661 -29.2765 123.661 0.734833 18.6768 -29.2776 18.6763 -16.491 GPRESSURE: 4084400 -182.42 173.284 -26.2689 69.5442 -31.4621 -13.9332 -37.0165 -26.7156 61.3397 PRESSAVG: 4084400 11.6247 -22.4782 2.2922 -22.4784 9.68075 -22.6404 2.29224 -22.6405 0.882036 GPRESSAVG: 4084400 9.87873 -24.0406 2.04778 -22.7314 11.0622 -22.1902 3.08933 -21.8786 1.76778 TIMING: 4084400 CPU: 11870.1, 0.00296637/step Wall: 11870.1, 0.00296637/step, 0.754447 hours remaining, 207.250000 MB of memory in use. ENERGY: 4084400 804.6121 2106.8251 1960.3067 106.4439 -206846.7683 18031.1902 0.0000 0.0000 33995.3599 -149842.0304 296.8899 -183837.3903 -149749.6911 297.0760 -84.7721 -50.8475 556776.3096 7.3958 7.5696 PRESSURE: 4084600 -71.0268 -4.15506 -131.919 -4.15417 -15.5172 -0.822823 -131.919 -0.823392 -64.3402 GPRESSURE: 4084600 -34.0459 19.5994 -202.859 -67.6596 51.5005 30.0996 -97.1306 -37.8989 -59.5074 PRESSAVG: 4084600 15.7231 -0.483636 -26.5264 -0.483674 -28.897 66.2365 -26.5265 66.2365 49.1 GPRESSAVG: 4084600 15.6727 1.50569 -26.8079 -1.91548 -29.7895 67.8915 -26.1384 64.4815 50.1492 TIMING: 4084600 CPU: 11870.7, 0.00288968/step Wall: 11870.7, 0.00288968/step, 0.734782 hours remaining, 207.250000 MB of memory in use. ENERGY: 4084600 717.7951 2090.1853 1954.7851 112.9205 -206944.9703 17915.2719 0.0000 0.0000 34358.9805 -149795.0320 300.0655 -184154.0125 -149685.9731 297.9646 -50.2947 -14.0176 557725.8780 11.9754 12.0108 PRESSURE: 4084800 -121.336 38.2179 -109.259 38.2183 -181.009 -1.99643 -109.259 -1.99781 -155.52 GPRESSURE: 4084800 -85.4035 79.795 -25.7414 3.51789 -170.765 -55.4422 -146.171 71.7446 -97.5384 PRESSAVG: 4084800 15.4961 -23.8487 -78.9103 -23.8487 11.9278 43.1513 -78.9102 43.1513 -57.8854 GPRESSAVG: 4084800 15.9648 -26.9722 -77.9794 -22.932 12.4632 41.7332 -79.9296 43.1205 -58.874 TIMING: 4084800 CPU: 11871.3, 0.00288529/step Wall: 11871.3, 0.00288529/step, 0.733504 hours remaining, 207.250000 MB of memory in use. ENERGY: 4084800 755.3147 2115.7299 1952.4911 118.6144 -206432.2221 17641.2735 0.0000 0.0000 34192.3806 -149656.4179 298.6106 -183848.7985 -149557.9565 297.6559 -152.6217 -117.9023 558035.5110 -10.1538 -10.1487 PRESSURE: 4085000 -150.751 19.3927 81.4561 19.3922 -131.076 32.1839 81.4558 32.1844 49.7415 GPRESSURE: 4085000 -97.5822 86.3775 95.6625 13.2567 -81.8184 15.4813 98.4284 27.9677 34.3946 PRESSAVG: 4085000 11.5189 6.08138 20.4846 6.08137 -39.786 23.7295 20.4843 23.7297 2.59407 GPRESSAVG: 4085000 11.1263 8.20651 21.562 7.11619 -39.3995 22.5835 21.6658 26.4798 2.20053 TIMING: 4085000 CPU: 11871.9, 0.00286135/step Wall: 11871.9, 0.00286135/step, 0.727261 hours remaining, 207.503906 MB of memory in use. ENERGY: 4085000 746.2705 2121.7908 1975.2001 119.2693 -206522.5580 17686.9249 0.0000 0.0000 34244.1695 -149628.9329 299.0628 -183873.1025 -149534.3632 297.3974 -77.3620 -48.3353 557263.0053 -8.5577 -8.6909 PRESSURE: 4085200 175.097 -53.6959 -18.0401 -53.6955 -187.218 -42.1316 -18.041 -42.1315 80.0899 GPRESSURE: 4085200 193.391 1.51382 -37.4046 -101.243 -127.788 -44.1947 30.0021 -21.4473 97.2348 PRESSAVG: 4085200 25.8102 -1.58264 28.5204 -1.58262 23.0571 -32.9291 28.5204 -32.929 -62.4499 GPRESSAVG: 4085200 26.0328 -1.42432 27.2349 -3.48207 23.6488 -32.2592 30.1903 -34.9175 -63.1482 TIMING: 4085200 CPU: 11872.4, 0.00288647/step Wall: 11872.4, 0.00288647/step, 0.733484 hours remaining, 207.503906 MB of memory in use. ENERGY: 4085200 730.2932 2129.8737 1982.7606 115.3136 -206609.9964 17875.1548 0.0000 0.0000 33977.3180 -149799.2826 296.7324 -183776.6006 -149709.8897 297.7186 22.6561 54.2792 556779.9846 -4.5275 -4.4889 PRESSURE: 4085400 5.34421 -114.055 201.773 -114.057 104.814 33.6944 201.774 33.6946 -245.735 GPRESSURE: 4085400 71.5304 -112.671 259.359 -52.6279 105.505 62.3946 217.788 -0.964596 -211.801 PRESSAVG: 4085400 22.6537 4.56664 -41.3866 4.56663 28.4814 -47.9332 -41.3867 -47.9331 -67.4826 GPRESSAVG: 4085400 22.6217 2.01589 -37.7044 6.11304 28.1102 -49.7762 -45.0156 -46.6895 -67.0048 TIMING: 4085400 CPU: 11873, 0.00291302/step Wall: 11873, 0.00291302/step, 0.740069 hours remaining, 207.503906 MB of memory in use. ENERGY: 4085400 749.2037 2092.4702 1959.5777 117.8389 -207001.1102 17975.5437 0.0000 0.0000 34190.3090 -149916.1669 298.5925 -184106.4759 -149816.7642 297.1696 -45.1922 -11.5885 556978.5725 -5.4492 -5.4243 PRESSURE: 4085600 -253.265 -167.17 40.8249 -167.171 -266.827 -151.818 40.823 -151.818 -45.3596 GPRESSURE: 4085600 -230.747 -123.789 -12.358 -85.2761 -231.423 -24.5936 128.76 -256.103 -8.70643 PRESSAVG: 4085600 11.0929 -29.7696 21.6501 -29.7696 -5.98918 6.83755 21.65 6.83755 -26.4967 GPRESSAVG: 4085600 11.7656 -29.9695 18.6385 -29.0234 -7.47474 9.12201 23.6 5.69264 -25.9324 TIMING: 4085600 CPU: 11873.6, 0.00292789/step Wall: 11873.6, 0.00292789/step, 0.743684 hours remaining, 207.503906 MB of memory in use. ENERGY: 4085600 767.5750 2081.7686 1952.2337 118.4481 -206545.9823 17674.0395 0.0000 0.0000 33966.9130 -149985.0045 296.6415 -183951.9175 -149889.4782 297.4915 -188.4836 -156.9585 557120.0277 -7.1310 -7.2139 PRESSURE: 4085800 -38.6703 -76.4298 -0.703683 -76.4294 -155.441 -27.9657 -0.702875 -27.9668 157.92 GPRESSURE: 4085800 57.6974 -125.393 -56.9522 -26.0298 -143.864 -78.7608 13.187 5.40013 145.812 PRESSAVG: 4085800 29.1227 -30.7661 -17.8918 -30.7662 -72.0466 -32.2329 -17.8917 -32.233 69.3737 GPRESSAVG: 4085800 27.9996 -29.1964 -15.7932 -31.9111 -71.0947 -32.583 -20.4692 -31.4267 69.7586 TIMING: 4085800 CPU: 11874.2, 0.00290171/step Wall: 11874.2, 0.00290171/step, 0.736873 hours remaining, 207.503906 MB of memory in use. ENERGY: 4085800 769.0942 2097.2434 1952.2367 124.3295 -206354.7897 17757.0832 0.0000 0.0000 33915.9076 -149738.8952 296.1961 -183654.8028 -149638.9104 297.2633 -12.0638 19.8820 556468.5315 8.8166 8.8878 PRESSURE: 4086000 -155.464 25.868 24.3789 25.8687 -86.8266 116.298 24.3782 116.3 -69.3663 GPRESSURE: 4086000 -124.371 71.3844 36.5353 10.6092 -65.5241 90.3268 28.1427 82.9275 -35.4235 PRESSAVG: 4086000 31.9194 26.4878 22.6538 26.4878 33.6093 50.0981 22.6538 50.0981 -29.1063 GPRESSAVG: 4086000 31.7913 25.3499 20.3294 26.4332 33.4537 48.9625 23.8144 48.8827 -29.028 TIMING: 4086000 CPU: 11874.8, 0.0029041/step Wall: 11874.8, 0.0029041/step, 0.737318 hours remaining, 207.503906 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: 4086000 774.9096 2109.1907 1932.9150 115.9829 -206844.9190 17989.2508 0.0000 0.0000 34199.9080 -149722.7620 298.6763 -183922.6700 -149623.8214 298.0125 -103.8855 -75.1062 557727.9853 12.1408 12.0723 PRESSURE: 4086200 20.5404 26.1362 -59.6513 26.1355 -197.025 -1.20193 -59.6512 -1.20455 -81.4528 GPRESSURE: 4086200 28.892 25.3275 -48.4709 78.6195 -94.0733 67.5908 -54.0509 -98.7448 -86.0108 PRESSAVG: 4086200 -13.3064 -5.19643 -0.408394 -5.19636 -37.0969 36.748 -0.408277 36.748 -8.24201 GPRESSAVG: 4086200 -12.9123 -5.0629 0.104465 -5.34722 -35.3961 38.1044 -0.692854 37.7034 -10.3774 TIMING: 4086200 CPU: 11875.4, 0.00289791/step Wall: 11875.4, 0.00289791/step, 0.735586 hours remaining, 207.503906 MB of memory in use. ENERGY: 4086200 772.5969 2096.6216 1992.5212 122.6436 -206415.0541 17759.3638 0.0000 0.0000 34009.4835 -149661.8234 297.0133 -183671.3069 -149563.7795 298.5140 -85.9790 -50.3974 556837.9371 -19.5484 -19.5619 PRESSURE: 4086400 -138.589 -108.989 94.8392 -108.988 -253.559 -9.1445 94.8395 -9.14458 -140.053 GPRESSURE: 4086400 -93.2176 -46.1714 32.0858 -127.009 -216.411 -9.181 105.028 -34.7337 -137.519 PRESSAVG: 4086400 11.4825 -51.52 -22.0734 -51.52 37.2158 2.21624 -22.0734 2.21627 -53.5073 GPRESSAVG: 4086400 10.3784 -49.9139 -21.7268 -52.6098 36.9015 4.25627 -21.9706 0.480197 -52.5167 TIMING: 4086400 CPU: 11875.9, 0.00287609/step Wall: 11875.9, 0.00287609/step, 0.729888 hours remaining, 207.503906 MB of memory in use. ENERGY: 4086400 721.1166 2105.4964 1941.2508 118.6507 -206673.3013 17690.8873 0.0000 0.0000 34434.1091 -149661.7904 300.7216 -184095.8995 -149563.0990 298.5338 -177.4005 -149.0489 557371.8407 -1.6030 -1.7456 PRESSURE: 4086600 53.8644 -100.61 1.81763 -100.61 5.0584 -100.913 1.81797 -100.913 -108.197 GPRESSURE: 4086600 43.8018 -137.281 15.8583 -58.6781 37.8984 -85.5599 -4.66591 -107.472 -41.7672 PRESSAVG: 4086600 11.1023 -45.578 45.1198 -45.5779 -0.784385 -2.99801 45.1197 -2.99805 12.9865 GPRESSAVG: 4086600 12.1161 -46.0293 43.5157 -44.4809 -1.08978 -5.65228 47.1887 -0.872192 12.1701 TIMING: 4086600 CPU: 11876.5, 0.00291921/step Wall: 11876.5, 0.00291921/step, 0.740668 hours remaining, 207.503906 MB of memory in use. ENERGY: 4086600 740.5985 2122.8902 1966.4014 105.9374 -206810.9203 17933.2977 0.0000 0.0000 34313.3600 -149628.4351 299.6671 -183941.7951 -149533.2870 298.4605 -16.4246 13.3110 557773.6977 7.7681 7.7322 PRESSURE: 4086800 39.3715 18.6794 -34.2567 18.6792 -22.8516 89.5933 -34.2565 89.5946 -63.3777 GPRESSURE: 4086800 128.337 -64.0137 12.8806 45.3774 -99.2364 69.9517 -17.1326 40.6628 28.5665 PRESSAVG: 4086800 63.5757 -30.7001 -25.3015 -30.7 -102.494 40.7734 -25.3015 40.7734 48.9611 GPRESSAVG: 4086800 62.5269 -31.9747 -24.2613 -32.2702 -102.78 42.7261 -26.3015 39.5259 50.074 TIMING: 4086800 CPU: 11877.1, 0.00289602/step Wall: 11877.1, 0.00289602/step, 0.734623 hours remaining, 207.503906 MB of memory in use. ENERGY: 4086800 733.9658 2121.1203 1956.2339 112.2759 -206672.3954 18040.5849 0.0000 0.0000 33989.7442 -149718.4705 296.8409 -183708.2147 -149614.8597 298.1402 -15.6193 19.2223 557811.9185 3.3475 3.2735 PRESSURE: 4087000 190.21 -22.494 -129.195 -22.4918 396.51 65.7173 -129.196 65.7176 196.375 GPRESSURE: 4087000 208.301 -28.3648 -54.6797 -1.82999 445.376 85.4589 -105.607 82.9303 212.578 PRESSAVG: 4087000 -1.06403 -19.225 -7.88957 -19.225 -20.7916 33.3562 -7.88956 33.3561 6.18837 GPRESSAVG: 4087000 -1.33696 -16.7186 -8.22052 -18.0906 -19.939 31.1169 -6.1967 34.4284 5.98327 TIMING: 4087000 CPU: 11877.7, 0.00287039/step Wall: 11877.7, 0.00287039/step, 0.727963 hours remaining, 207.503906 MB of memory in use. ENERGY: 4087000 712.6775 2132.3973 1961.7633 113.7414 -206847.9122 18143.4321 0.0000 0.0000 34045.7806 -149738.1199 297.3303 -183783.9006 -149640.4171 297.9102 261.0316 288.7517 555899.9109 -5.2224 -5.0976 PRESSURE: 4087200 77.3942 -114.325 -220.813 -114.324 -148.995 -81.2046 -220.814 -81.2038 -47.1632 GPRESSURE: 4087200 131.133 -103.344 -247.008 -146.357 -145.438 -124.712 -209.784 -26.1996 -10.3416 PRESSAVG: 4087200 -3.94078 24.7283 -32.661 24.7283 -51.759 67.272 -32.661 67.2719 49.5689 GPRESSAVG: 4087200 -2.88154 22.605 -32.3579 25.9408 -52.6468 68.3516 -31.8867 66.5887 49.0143 TIMING: 4087200 CPU: 11878.2, 0.00287991/step Wall: 11878.2, 0.00287991/step, 0.730217 hours remaining, 207.503906 MB of memory in use. ENERGY: 4087200 724.2202 2145.9675 1948.6214 119.2784 -206411.6875 17756.7641 0.0000 0.0000 34089.6352 -149627.2007 297.7133 -183716.8360 -149532.3764 297.9701 -39.5879 -8.2157 555564.7767 -2.0436 -2.1714 PRESSURE: 4087400 -206.594 -169.467 34.2545 -169.466 54.5354 37.1029 34.2551 37.1012 -233.999 GPRESSURE: 4087400 -123.005 -142.675 110.625 -99.8394 52.5055 66.0798 86.7073 -35.3243 -226.344 PRESSAVG: 4087400 37.2289 -4.6323 -18.0536 -4.6324 -40.2935 0.5231 -18.0536 0.523118 -52.8972 GPRESSAVG: 4087400 36.8684 -5.25357 -17.5645 -5.1775 -40.5635 0.501854 -20.4765 0.866492 -52.4597 TIMING: 4087400 CPU: 11878.8, 0.00287974/step Wall: 11878.8, 0.00287974/step, 0.730015 hours remaining, 207.503906 MB of memory in use. ENERGY: 4087400 743.1424 2093.5358 1955.1868 120.4469 -206209.2648 17614.5463 0.0000 0.0000 34077.4047 -149605.0019 297.6065 -183682.4066 -149505.0697 298.2748 -128.6857 -98.9476 555964.1374 -18.6539 -18.7183 PRESSURE: 4087600 -72.6267 -26.8583 -33.7615 -26.8571 -314.158 78.8084 -33.7623 78.8077 -76.2968 GPRESSURE: 4087600 -2.20688 -57.8306 17.5397 -27.8749 -257.606 168.989 -67.2139 33.7578 -101.59 PRESSAVG: 4087600 63.6813 -48.6235 -4.46781 -48.6235 -41.0282 34.6058 -4.46789 34.6058 -14.1689 GPRESSAVG: 4087600 63.8407 -46.8158 -0.749592 -49.3832 -40.6909 33.9637 -5.98767 34.6213 -14.9938 TIMING: 4087600 CPU: 11879.4, 0.0028682/step Wall: 11879.4, 0.0028682/step, 0.726928 hours remaining, 207.503906 MB of memory in use. ENERGY: 4087600 738.9927 2123.8836 1933.6562 113.7333 -206123.7845 17556.4533 0.0000 0.0000 33994.6116 -149662.4537 296.8834 -183657.0653 -149570.7212 298.3625 -154.3604 -120.4676 556655.0113 2.8281 2.7187 PRESSURE: 4087800 87.375 70.4853 -25.5915 70.4859 -306.641 -19.8951 -25.5919 -19.896 -172.001 GPRESSURE: 4087800 172.448 14.7141 -85.6145 82.4015 -309.205 1.48328 35.243 -27.0939 -147.372 PRESSAVG: 4087800 58.2395 -7.26752 -50.6553 -7.26759 -28.6124 10.4517 -50.6553 10.4517 -6.85504 GPRESSAVG: 4087800 58.897 -8.68124 -54.4084 -6.91275 -28.3615 9.64246 -47.1176 11.5559 -7.11241 TIMING: 4087800 CPU: 11880, 0.00288091/step Wall: 11880, 0.00288091/step, 0.72999 hours remaining, 207.503906 MB of memory in use. ENERGY: 4087800 754.9476 2144.8181 1955.5850 123.1607 -206244.5536 17640.7855 0.0000 0.0000 33999.0784 -149626.1782 296.9224 -183625.2567 -149535.3007 297.8634 -130.4223 -94.7096 558003.2303 7.5907 7.8077 PRESSURE: 4088000 93.0577 5.46577 -269.533 5.46549 104.022 -80.6071 -269.531 -80.6079 -25.5535 GPRESSURE: 4088000 113.205 -74.2144 -271.277 -37.3897 104.949 -98.2512 -279.366 -24.9956 54.6562 PRESSAVG: 4088000 19.6446 -56.4684 -3.45508 -56.4684 29.2986 -25.4719 -3.45505 -25.472 -84.6971 GPRESSAVG: 4088000 19.2462 -57.3568 -2.78012 -54.0483 29.1829 -26.5961 -3.45183 -24.4563 -84.8947 TIMING: 4088000 CPU: 11880.5, 0.00289567/step Wall: 11880.5, 0.00289567/step, 0.73357 hours remaining, 207.503906 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: 4088000 705.4052 2161.4012 1966.6786 97.4966 -206526.2607 18010.6567 0.0000 0.0000 34039.1444 -149545.4779 297.2723 -183584.6223 -149451.0384 297.0979 57.1753 90.9368 556750.3287 -11.9180 -12.1552 PRESSURE: 4088200 164.46 -10.3677 122.962 -10.3661 308.506 -68.593 122.962 -68.5934 198.641 GPRESSURE: 4088200 220.074 10.278 159.757 -52.2778 334.746 -81.4739 109.269 -35.7012 222.333 PRESSAVG: 4088200 -6.66205 -32.9966 16.1129 -32.9967 17.1498 -11.4779 16.1129 -11.4778 -16.8683 GPRESSAVG: 4088200 -7.32272 -30.0207 14.6618 -35.7713 17.312 -7.27851 14.2234 -12.6133 -16.6907 TIMING: 4088200 CPU: 11881.1, 0.00287398/step Wall: 11881.1, 0.00287398/step, 0.727916 hours remaining, 207.503906 MB of memory in use. ENERGY: 4088200 705.8008 2104.2569 1966.4328 127.7374 -206597.5105 17944.7813 0.0000 0.0000 34338.8475 -149409.6538 299.8897 -183748.5013 -149320.3323 299.1042 223.8688 259.0511 555707.7780 -2.1269 -2.2338 LDB: ============= START OF LOAD BALANCING ============== 11884.6 LDB: ============== END OF LOAD BALANCING =============== 11884.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11884.6 LDB: ============= START OF LOAD BALANCING ============== 11884.9 LDB: Largest compute 4848 load 0.028494 is 24.2% of average load 0.117722 LDB: Average compute 0.001728 is 1.5% of average load 0.117722 LDB: TIME 11884.9 LOAD: AVG 0.117722 MAX 0.180947 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.383 MB LDB: TIME 11884.9 LOAD: AVG 0.117722 MAX 0.180947 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: TIME 11884.9 LOAD: AVG 0.117722 MAX 0.180947 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11884.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11884.9 PRESSURE: 4088400 -410.698 170.093 -10.1522 170.095 -294.311 75.3809 -10.153 75.3818 -304.848 GPRESSURE: 4088400 -321.453 73.0001 12.1624 211.167 -286.204 30.028 -11.6707 80.7956 -295.47 PRESSAVG: 4088400 69.511 14.3572 -28.2012 14.3573 -38.7193 33.2969 -28.2013 33.2969 -1.47684 GPRESSAVG: 4088400 69.0788 13.3337 -26.6544 14.2946 -39.5302 29.1785 -29.3382 33.7635 -0.569967 TIMING: 4088400 CPU: 11881.7, 0.00293105/step Wall: 11881.7, 0.00293105/step, 0.742208 hours remaining, 207.410156 MB of memory in use. ENERGY: 4088400 738.0000 2041.2710 1953.6596 119.8332 -205663.8070 17218.1596 0.0000 0.0000 34358.5952 -149234.2885 300.0622 -183592.8837 -149134.8365 298.9669 -336.6188 -301.0423 557776.5380 9.7716 9.6595 PRESSURE: 4088600 -35.91 106.906 -20.2485 106.908 110.118 32.688 -20.248 32.6874 184.822 GPRESSURE: 4088600 16.8159 121.133 -57.0873 74.2972 128.657 -39.0001 -59.4912 144.129 225.717 PRESSAVG: 4088600 10.2481 96.5009 -32.6474 96.5009 -47.8374 26.2222 -32.6474 26.2223 59.6328 GPRESSAVG: 4088600 10.0434 95.3893 -32.6384 98.128 -47.6179 28.2502 -31.65 24.9276 59.4276 TIMING: 4088600 CPU: 11882.3, 0.00289268/step Wall: 11882.3, 0.00289268/step, 0.732331 hours remaining, 207.652344 MB of memory in use. ENERGY: 4088600 726.3243 2094.2915 1939.2357 113.6117 -206382.5096 17979.4007 0.0000 0.0000 34191.3764 -149338.2691 298.6018 -183529.6455 -149238.0581 299.1246 86.3434 123.7301 557352.3174 7.3478 7.2844 PRESSURE: 4088800 45.2372 79.0452 -42.7137 79.0443 -144.832 -164.058 -42.7121 -164.059 -273.62 GPRESSURE: 4088800 48.488 0.858109 -24.1612 132.935 -107.546 -153.696 -61.2018 -240.464 -205.086 PRESSAVG: 4088800 91.4125 -48.2108 -80.3969 -48.2107 -33.1482 38.5132 -80.3969 38.5132 -55.7203 GPRESSAVG: 4088800 90.8827 -49.0489 -79.878 -48.9641 -31.6912 39.2172 -81.8537 35.6873 -56.3744 TIMING: 4088800 CPU: 11882.9, 0.00286839/step Wall: 11882.9, 0.00286839/step, 0.726022 hours remaining, 207.652344 MB of memory in use. ENERGY: 4088800 753.4379 2071.4069 1952.3138 114.8228 -206090.2320 17629.0638 0.0000 0.0000 34127.8662 -149441.3205 298.0471 -183569.1867 -149344.9037 298.6788 -124.4049 -88.0481 556435.7163 0.8480 0.9390 PRESSURE: 4089000 283.925 -221.45 -87.1936 -221.451 58.6516 195.631 -87.1937 195.629 -97.7073 GPRESSURE: 4089000 302.726 -162.308 -68.7062 -184.681 83.2112 172.785 -146.896 164.034 -51.6681 PRESSAVG: 4089000 9.36038 -34.8083 -68.3946 -34.8084 68.0056 -26.0838 -68.3946 -26.0838 -67.4622 GPRESSAVG: 4089000 8.97598 -34.4312 -69.3569 -33.14 65.6065 -26.2858 -67.9256 -23.5149 -65.4476 TIMING: 4089000 CPU: 11883.4, 0.002867/step Wall: 11883.4, 0.002867/step, 0.72551 hours remaining, 207.652344 MB of memory in use. ENERGY: 4089000 736.2963 2099.3813 1955.9417 114.1093 -206467.9568 17944.8080 0.0000 0.0000 34158.4170 -149459.0033 298.3140 -183617.4203 -149352.6777 298.6542 81.6230 111.4230 555983.5073 3.3013 3.0450 PRESSURE: 4089200 -15.6465 61.7285 -103.336 61.729 186.787 -87.3421 -103.334 -87.3418 76.1438 GPRESSURE: 4089200 4.85871 75.4277 -89.9028 9.16538 239.467 -145.444 -64.3246 -107.519 103.479 PRESSAVG: 4089200 -28.3394 -53.0484 -83.0178 -53.0483 56.2312 42.9736 -83.0178 42.9737 -37.9049 GPRESSAVG: 4089200 -26.9095 -52.2125 -82.4445 -54.6866 56.4792 41.958 -80.8739 44.4357 -39.376 TIMING: 4089200 CPU: 11884, 0.00287426/step Wall: 11884, 0.00287426/step, 0.727189 hours remaining, 207.824219 MB of memory in use. ENERGY: 4089200 757.3441 2087.5978 1973.2558 101.7472 -206535.5539 17969.7652 0.0000 0.0000 34181.5841 -149464.2597 298.5163 -183645.8438 -149369.5365 298.6444 82.4282 115.9347 556602.0227 -3.3377 -3.2688 PRESSURE: 4089400 128.809 49.9817 37.6318 49.9809 -170.318 26.4313 37.6313 26.4322 -356.442 GPRESSURE: 4089400 177.555 -30.9646 67.5197 75.1215 -163.774 131.311 88.1005 -26.7184 -321.545 PRESSAVG: 4089400 -51.9942 36.0334 -23.384 36.0335 51.2502 36.2051 -23.3841 36.2051 21.2394 GPRESSAVG: 4089400 -52.3208 34.455 -21.6219 35.8414 50.7625 37.002 -27.219 35.6196 22.0135 TIMING: 4089400 CPU: 11884.6, 0.00289235/step Wall: 11884.6, 0.00289235/step, 0.731603 hours remaining, 207.824219 MB of memory in use. ENERGY: 4089400 745.7212 2120.2358 1948.2995 114.5605 -206207.7381 17637.3157 0.0000 0.0000 34226.4795 -149415.1259 298.9084 -183641.6054 -149310.2907 298.7489 -132.6502 -102.5880 557713.1193 6.8318 6.8184 PRESSURE: 4089600 -70.1349 -146.531 -67.2748 -146.53 73.5844 66.6723 -67.276 66.6709 70.8867 GPRESSURE: 4089600 -52.4253 -77.6213 -88.8637 -79.1701 92.7501 125.66 -50.7731 30.6614 124.127 PRESSAVG: 4089600 -26.7765 34.6518 -18.5204 34.6517 -6.57288 -4.11316 -18.5204 -4.11333 8.05685 GPRESSAVG: 4089600 -26.4976 36.6024 -21.5825 34.117 -5.336 -3.41418 -17.039 -4.1536 6.44232 TIMING: 4089600 CPU: 11885.2, 0.00289916/step Wall: 11885.2, 0.00289916/step, 0.733166 hours remaining, 207.824219 MB of memory in use. ENERGY: 4089600 708.1581 2085.5128 1962.0449 109.2165 -206409.6004 17848.4940 0.0000 0.0000 34311.3986 -149384.7755 299.6500 -183696.1741 -149288.0919 298.5534 24.7787 54.8173 557073.5398 -8.4308 -8.4638 PRESSURE: 4089800 -489.55 68.561 80.6308 68.5604 -225.496 17.3402 80.6306 17.3412 13.8995 GPRESSURE: 4089800 -418.691 59.8428 50.0558 57.3071 -200.723 44.4207 115.628 38.93 20.5999 PRESSAVG: 4089800 -29.3012 46.1901 -53.0844 46.1902 21.1558 -15.5038 -53.0844 -15.5038 -16.7572 GPRESSAVG: 4089800 -29.817 44.7953 -53.1847 49.4175 20.7549 -16.1331 -54.7563 -16.5021 -15.7179 TIMING: 4089800 CPU: 11885.7, 0.00290388/step Wall: 11885.7, 0.00290388/step, 0.734197 hours remaining, 207.824219 MB of memory in use. ENERGY: 4089800 734.3754 2125.8826 1964.8884 119.3128 -206179.7878 17514.3484 0.0000 0.0000 34366.3768 -149354.6033 300.1301 -183720.9802 -149257.2077 299.2833 -233.7153 -199.6049 558185.2930 -8.3008 -8.2600 PRESSURE: 4090000 -136.314 123.32 -191.723 123.32 -269.857 -72.6143 -191.723 -72.614 -279.204 GPRESSURE: 4090000 -142.632 149.976 -148.606 131.614 -254.797 0.42174 -182.935 -56.9308 -192.467 PRESSAVG: 4090000 -40.9429 50.1707 14.6605 50.1707 58.5159 -21.5046 14.6605 -21.5045 21.319 GPRESSAVG: 4090000 -41.6404 53.5603 17.3366 45.8308 59.1425 -21.6251 14.4685 -19.9333 20.9841 TIMING: 4090000 CPU: 11886.3, 0.00288759/step Wall: 11886.3, 0.00288759/step, 0.729917 hours remaining, 207.824219 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: 4090000 733.2115 2129.3563 1938.5768 113.6450 -205867.4955 17379.7544 0.0000 0.0000 34295.9912 -149276.9603 299.5154 -183572.9514 -149183.8359 299.2422 -228.4582 -196.6321 559178.4809 12.9640 12.8287 PRESSURE: 4090200 -141.637 -59.4148 53.8583 -59.4133 249.457 -34.8917 53.859 -34.8903 119.594 GPRESSURE: 4090200 -89.1931 -40.9192 31.0525 28.0376 266.758 -143.789 91.2016 34.1446 145.133 PRESSAVG: 4090200 -35.3338 46.1629 -55.0374 46.163 40.6459 27.9206 -55.0373 27.9206 -45.1232 GPRESSAVG: 4090200 -35.8153 44.7347 -56.9412 46.7018 41.2272 28.4665 -53.5564 26.872 -44.9118 TIMING: 4090200 CPU: 11886.9, 0.00290598/step Wall: 11886.9, 0.00290598/step, 0.734406 hours remaining, 207.824219 MB of memory in use. ENERGY: 4090200 785.4409 2064.0051 1961.2327 126.8632 -206578.1274 18075.6076 0.0000 0.0000 34352.6318 -149212.3462 300.0101 -183564.9780 -149120.4920 298.9676 75.8047 107.5659 557773.4786 -13.2703 -13.1666 PRESSURE: 4090400 -131.791 43.4802 202.356 43.4796 -129.161 -36.8814 202.355 -36.882 -169.543 GPRESSURE: 4090400 -89.1441 -10.2291 291.637 -14.3765 -83.1276 -26.1507 228.227 -29.7941 -162.061 PRESSAVG: 4090400 -34.2591 35.8108 -30.2849 35.8108 48.5764 37.1843 -30.2849 37.1843 9.36747 GPRESSAVG: 4090400 -33.3084 35.5579 -28.6081 37.6942 47.4623 37.7557 -31.2934 36.3285 9.78386 TIMING: 4090400 CPU: 11887.5, 0.00288833/step Wall: 11887.5, 0.00288833/step, 0.729784 hours remaining, 207.824219 MB of memory in use. ENERGY: 4090400 742.5431 2096.5421 1980.8226 121.7478 -206088.2456 17675.2164 0.0000 0.0000 34241.9685 -149229.4050 299.0436 -183471.3735 -149139.6887 299.4732 -143.4985 -111.4443 558905.2998 7.8949 7.9793 PRESSURE: 4090600 -99.9898 -68.2314 9.92381 -68.2315 -140.492 -56.1136 9.92407 -56.1128 -199.786 GPRESSURE: 4090600 -90.618 -96.526 27.3954 -76.1644 -58.1146 -99.3004 21.0179 -7.51683 -197.377 PRESSAVG: 4090600 5.82897 23.4064 39.1435 23.4064 -2.69786 12.5775 39.1435 12.5775 33.3268 GPRESSAVG: 4090600 6.12434 22.0032 36.5331 23.5743 -2.59492 11.6217 39.141 15.2817 32.8873 TIMING: 4090600 CPU: 11888.1, 0.00289819/step Wall: 11888.1, 0.00289819/step, 0.732114 hours remaining, 207.824219 MB of memory in use. ENERGY: 4090600 770.7145 2062.0434 1929.3900 118.4390 -206271.3173 17746.7202 0.0000 0.0000 34435.8148 -149208.1954 300.7365 -183644.0102 -149111.1622 299.3273 -146.7559 -115.3697 557964.2308 12.1527 12.1389 PRESSURE: 4090800 -296.457 -120.494 15.8703 -120.495 35.6203 22.1813 15.8692 22.1805 28.5553 GPRESSURE: 4090800 -186.76 -155.328 92.5474 -37.0419 0.920725 59.0468 -31.4258 -22.267 40.1132 PRESSAVG: 4090800 12.7705 30.9332 21.0549 30.9333 -7.08042 24.7549 21.0549 24.7549 -40.3025 GPRESSAVG: 4090800 13.4115 31.3954 21.6061 31.0708 -7.97223 25.9564 21.8631 23.1576 -40.5274 TIMING: 4090800 CPU: 11888.6, 0.0028876/step Wall: 11888.6, 0.0028876/step, 0.72928 hours remaining, 207.824219 MB of memory in use. ENERGY: 4090800 698.7003 2094.0920 1940.2767 118.0199 -205842.3746 17639.0284 0.0000 0.0000 34161.8673 -149190.3899 298.3441 -183352.2573 -149096.5113 299.3679 -77.4272 -48.5754 557912.9382 -11.5375 -11.6960 PRESSURE: 4091000 45.1407 -100.865 43.1262 -100.866 -220.004 -48.6114 43.1249 -48.6128 -276.987 GPRESSURE: 4091000 13.1652 -108.182 129.336 -95.3112 -169.447 -81.1399 46.1389 -19.798 -196.88 PRESSAVG: 4091000 -29.5057 5.59487 33.325 5.5948 0.926304 -22.6108 33.325 -22.6107 -22.775 GPRESSAVG: 4091000 -29.6174 6.43605 33.5289 4.04381 0.592997 -21.5962 33.5621 -23.6774 -22.4468 TIMING: 4091000 CPU: 11889.2, 0.00289578/step Wall: 11889.2, 0.00289578/step, 0.731184 hours remaining, 207.824219 MB of memory in use. ENERGY: 4091000 735.9075 2157.8854 1953.1624 100.8725 -205836.0384 17492.8266 0.0000 0.0000 34308.9167 -149086.4674 299.6283 -183395.3841 -148987.1829 299.1271 -150.6166 -117.7208 558657.9442 -17.1181 -17.1571 PRESSURE: 4091200 -241.536 -103.065 100.101 -103.067 -32.0345 12.2663 100.102 12.2664 -113.716 GPRESSURE: 4091200 -245.757 -2.46072 69.5193 -45.6927 33.4124 -50.5271 90.2016 -39.7884 -86.6289 PRESSAVG: 4091200 13.4318 29.8447 -7.38614 29.8448 25.5215 -6.73156 -7.38618 -6.73149 -55.6033 GPRESSAVG: 4091200 12.6834 28.9963 -7.2686 30.401 26.5295 -11.2808 -5.94183 -3.52563 -56.0361 TIMING: 4091200 CPU: 11889.8, 0.00289795/step Wall: 11889.8, 0.00289795/step, 0.731571 hours remaining, 207.824219 MB of memory in use. ENERGY: 4091200 774.9680 2083.7892 1974.1102 117.0480 -206253.3136 17680.9476 0.0000 0.0000 34418.7641 -149203.6865 300.5876 -183622.4506 -149103.0705 299.8585 -129.0954 -99.6578 558076.1894 -5.5500 -5.6077 PRESSURE: 4091400 90.9032 -199.823 -102.152 -199.824 199.189 23.7767 -102.151 23.7752 15.099 GPRESSURE: 4091400 87.1991 -235.657 -99.609 -174.049 211.733 79.4277 -88.2909 17.9117 121.63 PRESSAVG: 4091400 -42.703 -40.6072 31.7895 -40.6072 50.3889 -11.7736 31.7895 -11.7736 18.0194 GPRESSAVG: 4091400 -43.4781 -39.5216 33.839 -41.6402 49.8738 -7.49893 29.2141 -15.2634 19.071 TIMING: 4091400 CPU: 11890.4, 0.00289598/step Wall: 11890.4, 0.00289598/step, 0.730913 hours remaining, 207.824219 MB of memory in use. ENERGY: 4091400 762.3387 2104.5903 1955.6471 128.1897 -206689.0983 18152.3245 0.0000 0.0000 34285.3161 -149300.6920 299.4222 -183586.0080 -149206.5505 299.2643 101.7304 140.1873 557173.9280 8.5685 8.4889 PRESSURE: 4091600 61.3166 -117.763 -139.254 -117.765 169.77 0.272048 -139.255 0.271682 -45.9646 GPRESSURE: 4091600 134.591 -68.4517 -124.958 -92.0691 216.633 44.5179 -187.82 37.6151 -71.5059 PRESSAVG: 4091600 22.1147 26.5155 -35.1344 26.5157 20.3294 12.9779 -35.1344 12.9779 -60.15 GPRESSAVG: 4091600 22.016 26.5392 -35.0891 27.9586 22.1832 10.3955 -35.0909 14.8073 -61.6465 TIMING: 4091600 CPU: 11891, 0.00291852/step Wall: 11891, 0.00291852/step, 0.736439 hours remaining, 207.824219 MB of memory in use. ENERGY: 4091600 740.2241 2106.4279 1961.2335 121.5705 -206578.6855 18145.7044 0.0000 0.0000 34234.2054 -149269.3197 298.9758 -183503.5252 -149169.1068 298.7716 61.7074 93.2394 558300.7963 -5.9020 -5.8158 PRESSURE: 4091800 52.2968 -129.581 45.3087 -129.581 131.542 -93.3601 45.309 -93.3586 -12.6724 GPRESSURE: 4091800 38.2744 -88.077 40.2499 -62.6623 201.35 -88.3899 41.2189 -80.609 21.7591 PRESSAVG: 4091800 26.0585 -26.3742 3.82171 -26.3742 63.4756 51.9644 3.82173 51.9644 -46.2054 GPRESSAVG: 4091800 26.3066 -27.2097 2.4307 -25.9125 62.05 50.6837 4.49681 53.1016 -45.2303 TIMING: 4091800 CPU: 11891.5, 0.00291794/step Wall: 11891.5, 0.00291794/step, 0.736131 hours remaining, 207.824219 MB of memory in use. ENERGY: 4091800 761.3848 2102.8539 1939.9364 111.4174 -206356.5470 17983.2129 0.0000 0.0000 34267.5833 -149190.1583 299.2673 -183457.7416 -149094.1996 299.6763 57.0555 87.1280 557715.9233 14.4429 14.3754 PRESSURE: 4092000 -72.6363 47.5068 -113.328 47.5074 -321.279 53.5369 -113.328 53.5361 -384.042 GPRESSURE: 4092000 -14.3704 45.2684 -122.826 113.255 -289.014 -17.069 -73.7511 99.0282 -362.316 PRESSAVG: 4092000 14.2344 2.7269 31.7705 2.72694 -33.2687 47.1567 31.7706 47.1565 11.2205 GPRESSAVG: 4092000 14.0294 2.28343 31.3408 4.97033 -33.7184 46.8343 31.6217 46.6979 12.1978 TIMING: 4092000 CPU: 11892.1, 0.0028934/step Wall: 11892.1, 0.0028934/step, 0.729781 hours remaining, 207.824219 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: 4092000 778.4559 2094.5899 1966.5804 114.8604 -205853.7648 17584.5832 0.0000 0.0000 34087.8187 -149226.8764 297.6974 -183314.6951 -149127.8541 298.9272 -259.3191 -221.9000 557761.8116 -2.6046 -2.4971 PRESSURE: 4092200 124.84 66.132 66.7272 66.1323 -201.322 85.6501 66.7271 85.6507 -228.832 GPRESSURE: 4092200 160.902 37.1883 46.7057 71.4788 -160.382 145.836 60.8562 124.884 -204.413 PRESSAVG: 4092200 29.083 35.7742 -40.3718 35.7742 30.2887 -19.1506 -40.3718 -19.1507 -83.3511 GPRESSAVG: 4092200 28.7807 38.5893 -40.5675 33.0224 31.781 -17.5521 -39.8743 -19.4975 -84.9375 TIMING: 4092200 CPU: 11892.7, 0.00293946/step Wall: 11892.7, 0.00293946/step, 0.741235 hours remaining, 207.824219 MB of memory in use. ENERGY: 4092200 708.2731 2138.7928 1965.0413 109.9102 -205946.0429 17596.9307 0.0000 0.0000 34281.1172 -149145.9776 299.3855 -183427.0949 -149044.6529 299.1719 -101.7716 -67.9645 558774.0778 -7.9931 -8.1253 LDB: ============= START OF LOAD BALANCING ============== 11896.2 LDB: ============== END OF LOAD BALANCING =============== 11896.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11896.2 LDB: ============= START OF LOAD BALANCING ============== 11896.5 LDB: Largest compute 4848 load 0.028014 is 23.8% of average load 0.117855 LDB: Average compute 0.001725 is 1.5% of average load 0.117855 LDB: TIME 11896.5 LOAD: AVG 0.117855 MAX 0.178781 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 11896.5 LOAD: AVG 0.117855 MAX 0.178781 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: TIME 11896.5 LOAD: AVG 0.117855 MAX 0.178781 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11896.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11896.5 PRESSURE: 4092400 136.5 -3.57923 -201.81 -3.57836 -5.9209 115.475 -201.808 115.476 -96.1825 GPRESSURE: 4092400 130.202 -18.6057 -124.205 -68.0435 14.9549 152.137 -184.797 111.669 -19.6983 PRESSAVG: 4092400 34.3384 26.7139 26.6156 26.7137 1.24875 -51.9296 26.6156 -51.9296 -83.5539 GPRESSAVG: 4092400 34.8358 23.7223 27.5002 27.6189 -0.356542 -50.6358 25.4478 -50.5265 -82.0506 TIMING: 4092400 CPU: 11893.3, 0.00294834/step Wall: 11893.3, 0.00294834/step, 0.743309 hours remaining, 207.355469 MB of memory in use. ENERGY: 4092400 737.2451 2031.3809 1940.9515 114.9159 -205925.7055 17789.0546 0.0000 0.0000 34293.6100 -149018.5475 299.4946 -183312.1575 -148921.2114 299.2671 11.4654 41.8194 559630.6839 -15.9889 -15.8571 PRESSURE: 4092600 -27.5899 -101.853 -5.24377 -101.851 -273.505 -127.933 -5.24328 -127.934 314.102 GPRESSURE: 4092600 19.7773 -93.5165 7.70387 -85.779 -212.914 -134.501 -92.9123 -40.4569 305.446 PRESSAVG: 4092600 57.7846 -15.4821 21.6157 -15.4821 -67.7051 -51.3815 21.6157 -51.3815 37.5123 GPRESSAVG: 4092600 57.8471 -13.8773 20.8374 -15.6108 -67.1444 -51.8594 22.5349 -54.0144 36.9203 TIMING: 4092600 CPU: 11893.9, 0.00289317/step Wall: 11893.9, 0.00289317/step, 0.729238 hours remaining, 207.558594 MB of memory in use. ENERGY: 4092600 756.4073 2108.0702 1970.8540 119.3956 -206000.1095 17924.5997 0.0000 0.0000 34014.9322 -149105.8506 297.0609 -183120.7827 -149008.4817 298.8105 4.3356 37.4361 558263.3759 9.1973 9.2077 PRESSURE: 4092800 127.815 -248.911 141.736 -248.912 -324.3 -13.3717 141.736 -13.3696 -197.291 GPRESSURE: 4092800 199.427 -224.134 130.914 -183.664 -264.092 44.8108 203.636 -71.9983 -214.628 PRESSAVG: 4092800 -51.8046 11.5158 23.4665 11.5157 -27.2475 16.6022 23.4664 16.6022 45.2028 GPRESSAVG: 4092800 -52.0083 14.1266 24.2971 9.4351 -26.5412 16.0025 23.5593 16.9471 45.0506 TIMING: 4092800 CPU: 11894.5, 0.00287892/step Wall: 11894.5, 0.00287892/step, 0.725488 hours remaining, 207.558594 MB of memory in use. ENERGY: 4092800 776.0769 2046.5567 1944.7680 130.5063 -205867.4863 17667.6568 0.0000 0.0000 34246.7380 -149055.1836 299.0853 -183301.9216 -148958.9911 299.1694 -131.2582 -93.0979 558645.2893 -11.2831 -11.1663 PRESSURE: 4093000 -75.1041 -72.1003 -37.7952 -72.0994 -40.5467 -96.8692 -37.7962 -96.8698 -4.27471 GPRESSURE: 4093000 -75.0887 -59.0056 -62.2013 -118.786 20.4285 -17.3825 -11.6623 -139.446 38.2244 PRESSAVG: 4093000 -39.1843 2.13295 42.482 2.13287 7.03353 44.7507 42.4821 44.7507 25.6638 GPRESSAVG: 4093000 -38.4615 -0.0345857 43.236 4.69021 6.02265 44.1859 43.0697 47.2307 25.9203 TIMING: 4093000 CPU: 11895, 0.00290051/step Wall: 11895, 0.00290051/step, 0.730768 hours remaining, 207.558594 MB of memory in use. ENERGY: 4093000 727.2933 2065.2597 1945.7705 117.3712 -205774.7068 17668.3954 0.0000 0.0000 34388.6161 -148862.0006 300.3243 -183250.6167 -148761.9391 299.5462 -39.9752 -5.4786 558043.0014 -2.1623 -2.1728 PRESSURE: 4093200 -38.5363 -106.372 189.104 -106.371 -203.569 -95.5195 189.105 -95.5192 -113.539 GPRESSURE: 4093200 -11.3963 -72.6579 169.309 -121.43 -130.543 -101.701 187.244 -60.7601 -113.332 PRESSAVG: 4093200 -80.7835 -16.3622 2.22731 -16.3621 0.989333 -57.2909 2.22719 -57.291 69.6236 GPRESSAVG: 4093200 -81.0977 -16.4441 1.59541 -16.3253 2.48166 -55.5162 2.41481 -57.8942 68.6194 TIMING: 4093200 CPU: 11895.6, 0.00290644/step Wall: 11895.6, 0.00290644/step, 0.7321 hours remaining, 207.558594 MB of memory in use. ENERGY: 4093200 729.5258 2108.8289 1930.6580 113.3985 -205940.4402 17709.9274 0.0000 0.0000 34569.6205 -148778.4809 301.9051 -183348.1014 -148682.0822 300.3750 -118.5482 -85.0904 559981.8636 -3.3902 -3.3322 PRESSURE: 4093400 1.10942 -67.6074 246.605 -67.6072 35.2145 -1.51044 246.605 -1.51075 -272.46 GPRESSURE: 4093400 26.0245 -49.8307 201.556 -16.634 14.4267 -42.8348 243.583 -53.6302 -178.823 PRESSAVG: 4093400 20.5911 -10.9028 -20.8407 -10.9027 -55.0788 -30.1882 -20.8406 -30.1883 -4.49138 GPRESSAVG: 4093400 21.1997 -12.2108 -21.7821 -10.2717 -54.5701 -32.2041 -20.7455 -31.0458 -5.65326 TIMING: 4093400 CPU: 11896.2, 0.00289813/step Wall: 11896.2, 0.00289813/step, 0.729845 hours remaining, 207.558594 MB of memory in use. ENERGY: 4093400 759.6545 2138.9218 1943.8212 104.2921 -205978.7070 17657.7636 0.0000 0.0000 34712.3110 -148661.9428 303.1512 -183374.2538 -148565.8286 300.5790 -78.7121 -46.1239 559150.8052 -12.9930 -13.0079 PRESSURE: 4093600 -251.676 -30.616 -66.067 -30.6172 145.99 -160.39 -66.0674 -160.39 115.948 GPRESSURE: 4093600 -162.919 10.0083 -77.3323 -11.1535 144.348 -136.694 -59.1252 -158.395 112.855 PRESSAVG: 4093600 -38.4442 -42.7115 -39.0006 -42.7114 -9.05721 -60.615 -39.0006 -60.6151 47.833 GPRESSAVG: 4093600 -38.0777 -42.0816 -37.6055 -45.0815 -9.50468 -59.5766 -38.5956 -59.98 48.012 TIMING: 4093600 CPU: 11896.8, 0.00291332/step Wall: 11896.8, 0.00291332/step, 0.73351 hours remaining, 207.628906 MB of memory in use. ENERGY: 4093600 715.3884 2102.1205 1966.7153 106.2462 -205746.3888 17783.2031 0.0000 0.0000 34212.3900 -148860.3252 298.7853 -183072.7153 -148766.5179 300.5517 3.4205 31.4283 559745.6051 0.1105 0.1432 PRESSURE: 4093800 -57.2909 -16.7701 33.8657 -16.7707 28.0949 -208.28 33.8665 -208.279 -168.808 GPRESSURE: 4093800 -76.1066 13.518 113.88 -15.4747 82.2773 -308.407 9.66236 -221.039 -105.919 PRESSAVG: 4093800 -13.9301 -26.0059 5.66543 -26.0059 13.0605 -46.9526 5.66543 -46.9526 -19.3812 GPRESSAVG: 4093800 -14.5278 -24.7508 7.36144 -24.8501 13.2593 -46.9037 4.5124 -46.9925 -18.6369 TIMING: 4093800 CPU: 11897.4, 0.00292683/step Wall: 11897.4, 0.00292683/step, 0.736748 hours remaining, 207.628906 MB of memory in use. ENERGY: 4093800 769.6912 2091.7184 1968.4473 111.2405 -205970.1047 17834.4708 0.0000 0.0000 34277.5847 -148916.9518 299.3547 -183194.5365 -148824.4298 299.1849 -66.0012 -33.2494 558788.6540 -6.7503 -6.6352 PRESSURE: 4094000 159.886 -81.3525 -11.3763 -81.3527 -41.8355 63.0087 -11.3759 63.0114 -51.4049 GPRESSURE: 4094000 223.464 -101.152 -55.4621 -47.87 -15.6722 29.2392 -10.1195 53.3298 -41.4989 PRESSAVG: 4094000 88.403 -3.12981 26.3369 -3.12976 12.3711 -14.4468 26.3369 -14.4467 -47.725 GPRESSAVG: 4094000 87.5967 -1.61134 24.69 -4.57092 12.7075 -13.3876 26.0219 -13.7709 -47.389 TIMING: 4094000 CPU: 11898, 0.00294308/step Wall: 11898, 0.00294308/step, 0.740676 hours remaining, 207.628906 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: 4094000 726.6090 2081.0440 1960.8103 118.5128 -206018.1343 17895.8481 0.0000 0.0000 34242.6366 -148992.6734 299.0495 -183235.3101 -148893.4815 299.5798 22.2152 55.4310 559678.7077 17.6830 17.6384 PRESSURE: 4094200 -3.51915 -209.485 149.849 -209.483 112.297 219.56 149.849 219.559 -165.555 GPRESSURE: 4094200 65.6798 -183.257 225.439 -226.68 167.293 299.6 151.425 180.508 -201.327 PRESSAVG: 4094200 45.6972 12.0799 -30.1811 12.0799 6.08036 42.3751 -30.1812 42.3752 -68.6841 GPRESSAVG: 4094200 45.9677 10.2332 -30.4359 15.4338 5.66639 42.0727 -31.277 40.4984 -68.6913 TIMING: 4094200 CPU: 11898.5, 0.00291698/step Wall: 11898.5, 0.00291698/step, 0.733946 hours remaining, 207.832031 MB of memory in use. ENERGY: 4094200 704.1317 2050.2982 1949.1769 114.3985 -206437.2877 17977.5334 0.0000 0.0000 34532.6242 -149109.1246 301.5820 -183641.7488 -149016.2081 299.1022 -18.9257 10.5488 559264.4124 -5.6355 -5.6857 PRESSURE: 4094400 91.3199 137.578 112.028 137.579 -51.7196 -208.742 112.029 -208.742 130.382 GPRESSURE: 4094400 102.701 132.62 242.393 115.663 -4.28365 -222.625 44.5834 -166.068 161.758 PRESSAVG: 4094400 -27.4144 40.1949 -20.3899 40.1949 -42.6226 -20.9558 -20.39 -20.9558 56.2425 GPRESSAVG: 4094400 -27.6233 38.8853 -19.9006 36.6305 -41.0192 -21.9248 -18.725 -21.3414 55.0366 TIMING: 4094400 CPU: 11899.1, 0.00291834/step Wall: 11899.1, 0.00291834/step, 0.734124 hours remaining, 207.832031 MB of memory in use. ENERGY: 4094400 744.9176 2143.3013 1938.6842 103.5343 -205942.1144 17722.0474 0.0000 0.0000 34297.7969 -148991.8327 299.5312 -183289.6296 -148892.1764 299.6108 56.6609 86.7252 558690.5837 -4.5982 -4.5353 PRESSURE: 4094600 -201.985 -99.6039 101.176 -99.6051 108.471 -171.02 101.177 -171.019 -26.4459 GPRESSURE: 4094600 -182.164 -152.947 63.9367 -135.742 171.138 -131.144 135.252 -120.232 -16.3953 PRESSAVG: 4094600 4.4893 -26.1041 -4.21188 -26.1041 -15.887 -39.8446 -4.21203 -39.8446 -3.65369 GPRESSAVG: 4094600 5.46928 -25.3779 -5.16027 -26.3254 -17.7438 -38.7767 -4.91751 -38.6363 -2.58551 TIMING: 4094600 CPU: 11899.7, 0.00291143/step Wall: 11899.7, 0.00291143/step, 0.732224 hours remaining, 207.832031 MB of memory in use. ENERGY: 4094600 761.4018 2101.1659 1959.4996 108.4988 -205651.5409 17689.7297 0.0000 0.0000 33960.3064 -149070.9387 296.5838 -183031.2452 -148981.7371 299.0424 -39.9867 -9.1404 558722.7195 -5.0171 -4.9533 PRESSURE: 4094800 -210.737 69.0283 132.05 69.0286 117.664 -70.61 132.05 -70.611 -84.3282 GPRESSURE: 4094800 -157.86 49.919 113.439 7.41427 104.862 -7.62437 190.599 -56.3489 -2.51789 PRESSAVG: 4094800 -39.577 -8.76644 65.4 -8.76661 -17.2504 -27.9714 65.4001 -27.9714 7.89414 GPRESSAVG: 4094800 -40.4615 -9.40796 65.3216 -5.81192 -15.7005 -28.4642 66.5702 -28.8708 7.49665 TIMING: 4094800 CPU: 11900.3, 0.00291058/step Wall: 11900.3, 0.00291058/step, 0.73185 hours remaining, 207.832031 MB of memory in use. ENERGY: 4094800 775.5370 2102.6972 1951.2896 126.2303 -206279.1572 17932.7743 0.0000 0.0000 34265.3544 -149125.2743 299.2479 -183390.6287 -149021.8957 299.3399 -59.1336 -18.5052 557808.3225 -16.3111 -16.2218 PRESSURE: 4095000 137.142 98.8767 -112.742 98.8772 65.0451 172.975 -112.742 172.973 -5.30378 GPRESSURE: 4095000 115.99 138.713 -72.8069 51.5355 94.0837 221.9 -109.384 129.372 70.744 PRESSAVG: 4095000 26.8076 5.39489 22.0308 5.39491 1.87364 19.9239 22.0308 19.924 -14.2514 GPRESSAVG: 4095000 27.5214 7.82076 23.0811 2.16582 0.39974 22.5772 21.7126 18.0809 -13.546 TIMING: 4095000 CPU: 11900.9, 0.0029145/step Wall: 11900.9, 0.0029145/step, 0.732674 hours remaining, 207.832031 MB of memory in use. ENERGY: 4095000 747.4226 2101.5182 1955.7331 118.1099 -206181.7794 17933.9760 0.0000 0.0000 34205.8522 -149119.1675 298.7282 -183325.0197 -149019.1952 299.4224 65.6277 93.6057 558416.3862 4.8100 4.7917 PRESSURE: 4095200 49.4808 -67.0441 241.589 -67.0448 99.0644 98.258 241.588 98.2574 -143.746 GPRESSURE: 4095200 49.8273 -185.556 116.056 -52.6477 122.147 50.6872 249.958 117.442 -67.3515 PRESSAVG: 4095200 16.0628 19.1853 8.14386 19.1854 9.45295 4.66934 8.14384 4.66928 10.765 GPRESSAVG: 4095200 15.2557 18.9143 7.82242 19.1264 10.5755 2.53381 7.81904 6.05045 10.7993 TIMING: 4095200 CPU: 11901.4, 0.00290325/step Wall: 11901.4, 0.00290325/step, 0.729683 hours remaining, 207.832031 MB of memory in use. ENERGY: 4095200 718.6212 2185.6785 1932.4305 119.3346 -206128.4133 17868.9081 0.0000 0.0000 34296.5763 -149006.8641 299.5205 -183303.4404 -148901.9420 299.8832 1.5998 34.8744 557593.4544 12.0936 12.2102 PRESSURE: 4095400 -52.4804 53.9104 -145.937 53.9109 94.4409 -60.6137 -145.938 -60.6141 -34.971 GPRESSURE: 4095400 -72.2062 114.99 -125.26 77.493 179.263 -33.6588 -143.959 -74.9271 -10.9853 PRESSAVG: 4095400 -16.0685 -28.5625 -18.5177 -28.5625 13.3016 -16.1648 -18.5178 -16.1648 -34.1725 GPRESSAVG: 4095400 -14.9377 -29.5912 -18.2049 -27.1049 12.2978 -17.0427 -18.6038 -14.1785 -33.8354 TIMING: 4095400 CPU: 11902, 0.00291539/step Wall: 11902, 0.00291539/step, 0.732572 hours remaining, 207.832031 MB of memory in use. ENERGY: 4095400 718.8922 2094.9121 1944.0368 115.2002 -206144.6706 17837.6293 0.0000 0.0000 34288.0541 -149145.9458 299.4461 -183434.0000 -149041.7788 299.3788 2.3299 32.0237 557127.8388 -12.3131 -12.1584 PRESSURE: 4095600 276.553 -174.725 -117.27 -174.725 64.2352 33.8358 -117.27 33.8358 124.6 GPRESSURE: 4095600 333.132 -71.1453 -123.795 -184.48 98.0643 11.5017 -155.959 72.0106 135.868 PRESSAVG: 4095600 55.8167 28.3797 -57.9273 28.3797 9.29167 -19.2747 -57.9273 -19.2749 -21.0007 GPRESSAVG: 4095600 55.108 28.1454 -57.8825 27.7783 9.34065 -17.778 -58.7174 -20.0014 -20.3925 TIMING: 4095600 CPU: 11902.6, 0.00291617/step Wall: 11902.6, 0.00291617/step, 0.732607 hours remaining, 207.832031 MB of memory in use. ENERGY: 4095600 729.7734 2068.3980 1965.1320 119.8106 -206439.8205 18020.9205 0.0000 0.0000 34430.6902 -149105.0959 300.6918 -183535.7861 -149007.2965 299.2963 155.1293 189.0217 557689.4394 14.7026 14.6854 PRESSURE: 4095800 95.1593 -39.558 -50.1518 -39.5574 168.801 -97.5419 -50.1518 -97.5421 -37.7286 GPRESSURE: 4095800 114.926 -63.6955 -71.2382 54.3485 185.123 -115.048 -104.049 -124.897 22.1412 PRESSAVG: 4095800 4.83958 -24.2232 10.8431 -24.2232 -61.3413 50.7588 10.8431 50.7588 4.33933 GPRESSAVG: 4095800 4.48071 -23.823 8.86243 -23.8954 -60.4753 51.258 12.3238 48.8452 3.81996 TIMING: 4095800 CPU: 11903.2, 0.00287974/step Wall: 11903.2, 0.00287974/step, 0.723296 hours remaining, 207.832031 MB of memory in use. ENERGY: 4095800 736.5285 2082.2426 1949.7507 120.0464 -206459.2620 17990.8743 0.0000 0.0000 34428.5346 -149151.2851 300.6730 -183579.8197 -149059.1054 299.9495 75.4105 107.3970 557027.8679 -17.3875 -17.3915 PRESSURE: 4096000 -0.900899 -182.914 -112.261 -182.914 -201.688 24.7134 -112.261 24.7145 74.697 GPRESSURE: 4096000 42.7961 -157.184 -120.312 -134.704 -188.703 65.0577 -77.7995 26.6771 102.095 PRESSAVG: 4096000 35.321 54.5171 18.1276 54.5171 11.4308 -26.866 18.1276 -26.8659 -28.2569 GPRESSAVG: 4096000 35.8391 56.0277 19.6149 52.8601 11.6164 -27.9843 17.9845 -24.5307 -28.7918 TIMING: 4096000 CPU: 11903.8, 0.00289251/step Wall: 11903.8, 0.00289251/step, 0.726341 hours remaining, 207.832031 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: 4096000 758.9505 2073.8124 1986.4893 122.2955 -206084.5775 17858.9475 0.0000 0.0000 34068.4599 -149215.6224 297.5283 -183284.0823 -149124.7274 299.9544 -42.6307 -14.6041 558303.2749 6.1650 6.2212 PRESSURE: 4096200 11.3903 -44.1797 -66.2414 -44.1791 47.6044 142.044 -66.2417 142.044 68.8267 GPRESSURE: 4096200 69.6461 -36.5019 -48.3332 -7.55469 54.9601 130.384 -54.0987 136.78 89.5746 PRESSAVG: 4096200 67.194 -8.30143 53.5316 -8.30147 -16.5202 -25.0517 53.5316 -25.0517 -50.9416 GPRESSAVG: 4096200 66.0464 -9.12599 53.6249 -7.3409 -17.2779 -24.3779 53.2126 -27.7155 -49.5537 TIMING: 4096200 CPU: 11904.3, 0.00290828/step Wall: 11904.3, 0.00290828/step, 0.73014 hours remaining, 207.832031 MB of memory in use. ENERGY: 4096200 728.9065 2057.0284 1927.7807 112.9140 -206029.7731 17884.3849 0.0000 0.0000 34182.5346 -149136.2239 298.5246 -183318.7585 -149048.5605 299.7127 42.6071 71.3936 558726.5349 -0.0893 -0.2617 LDB: ============= START OF LOAD BALANCING ============== 11907.8 LDB: ============== END OF LOAD BALANCING =============== 11907.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11907.8 LDB: ============= START OF LOAD BALANCING ============== 11908.1 LDB: Largest compute 4848 load 0.029299 is 24.9% of average load 0.117882 LDB: Average compute 0.001726 is 1.5% of average load 0.117882 LDB: TIME 11908.1 LOAD: AVG 0.117882 MAX 0.18015 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 11908.1 LOAD: AVG 0.117882 MAX 0.18015 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.863 MB LDB: TIME 11908.1 LOAD: AVG 0.117882 MAX 0.18015 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.863 MB LDB: ============== END OF LOAD BALANCING =============== 11908.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11908.1 PRESSURE: 4096400 72.7287 135.358 -124.298 135.357 68.6347 32.6298 -124.297 32.6309 269.14 GPRESSURE: 4096400 102.238 147.357 -104.971 154.618 167.166 -17.7719 -276.696 44.8283 232.964 PRESSAVG: 4096400 55.0301 2.27947 -21.972 2.27946 -65.7731 -10.9985 -21.972 -10.9985 12.5349 GPRESSAVG: 4096400 57.1745 2.28735 -21.869 2.91036 -66.2269 -12.5537 -23.2339 -10.8502 11.4244 TIMING: 4096400 CPU: 11904.9, 0.00295624/step Wall: 11904.9, 0.00295624/step, 0.742015 hours remaining, 208.320312 MB of memory in use. ENERGY: 4096400 754.5179 2083.3886 1931.7213 128.5256 -206486.7711 18148.3515 0.0000 0.0000 34165.8995 -149274.3667 298.3793 -183440.2662 -149178.8559 298.7619 136.8343 167.4561 557441.9261 0.5973 0.7907 PRESSURE: 4096600 31.0896 -142.98 101.923 -142.98 117.787 136.984 101.921 136.985 113.075 GPRESSURE: 4096600 54.0847 -179.909 68.2981 -206.135 194.443 117.062 152.181 109.223 101.777 PRESSAVG: 4096600 29.4748 9.27501 -27.1162 9.27503 -8.30195 31.3863 -27.1162 31.3862 -20.3848 GPRESSAVG: 4096600 28.0862 10.3591 -28.3913 9.09371 -7.32557 32.9351 -25.5471 33.7088 -19.7326 TIMING: 4096600 CPU: 11905.5, 0.00290371/step Wall: 11905.5, 0.00290371/step, 0.728669 hours remaining, 208.980469 MB of memory in use. ENERGY: 4096600 749.5358 2089.6803 1931.1423 120.4301 -206224.3591 17818.6304 0.0000 0.0000 34242.2424 -149272.6980 299.0460 -183514.9403 -149176.0726 298.6424 87.3171 116.7684 555728.8538 0.2627 0.3427 PRESSURE: 4096800 100.929 -125.818 98.538 -125.816 -238.139 45.9248 98.5377 45.9232 20.8006 GPRESSURE: 4096800 134.731 -62.9688 134.605 -135.727 -202.857 73.6236 45.3482 13.2248 37.7945 PRESSAVG: 4096800 30.6989 -11.8807 6.19627 -11.8808 40.0206 50.9938 6.19632 50.994 -84.4391 GPRESSAVG: 4096800 31.7146 -13.2771 7.6101 -12.2313 39.9747 52.2716 6.24806 48.7432 -85.0311 TIMING: 4096800 CPU: 11906.1, 0.00293623/step Wall: 11906.1, 0.00293623/step, 0.736669 hours remaining, 209.027344 MB of memory in use. ENERGY: 4096800 767.3882 2076.3016 1956.5924 101.5826 -205970.7604 17695.9299 0.0000 0.0000 34117.7052 -149255.2603 297.9584 -183372.9655 -149161.1555 298.6790 -38.8031 -10.1107 558453.1804 -4.5732 -4.4473 PRESSURE: 4097000 -336.184 -112.124 28.3508 -112.124 113.427 -5.99329 28.3504 -5.99324 105.816 GPRESSURE: 4097000 -327.467 -121.6 56.3514 -69.1966 137.105 34.0413 34.9783 -23.4856 164.312 PRESSAVG: 4097000 2.23997 -41.669 -20.9891 -41.6689 -31.1277 11.3448 -20.9892 11.3449 5.44769 GPRESSAVG: 4097000 0.217249 -41.9389 -20.8659 -39.5234 -31.4584 11.2632 -22.2728 9.74066 7.22586 TIMING: 4097000 CPU: 11906.7, 0.00290463/step Wall: 11906.7, 0.00290463/step, 0.728578 hours remaining, 209.027344 MB of memory in use. ENERGY: 4097000 740.5150 2066.8103 1934.1164 129.8525 -206205.6954 17868.4265 0.0000 0.0000 34268.2013 -149197.7733 299.2727 -183465.9746 -149107.9547 298.5681 -38.9804 -8.6836 558860.8516 -7.8134 -8.0051 PRESSURE: 4097200 -36.4347 38.723 11.8823 38.7225 -211.543 1.89393 11.8829 1.8932 -230.261 GPRESSURE: 4097200 4.36705 26.0353 13.5718 36.0262 -229.411 27.649 42.0486 -7.86731 -156.292 PRESSAVG: 4097200 -31.507 3.80949 15.2463 3.80954 -19.4848 -62.4229 15.2463 -62.4227 82.4567 GPRESSAVG: 4097200 -30.8738 4.92028 16.5314 2.07922 -18.82 -62.9983 14.0349 -61.4516 81.922 TIMING: 4097200 CPU: 11907.3, 0.00290471/step Wall: 11907.3, 0.00290471/step, 0.728437 hours remaining, 209.027344 MB of memory in use. ENERGY: 4097200 733.3605 2074.2393 1934.1826 109.7642 -205628.1057 17404.5976 0.0000 0.0000 34396.1082 -148975.8533 300.3898 -183371.9615 -148875.0260 299.5479 -159.4128 -127.1120 558505.9039 10.4883 10.7427 PRESSURE: 4097400 -293.816 -17.3109 -51.5649 -17.3118 -25.1178 23.5091 -51.5657 23.5087 203.695 GPRESSURE: 4097400 -214.222 -37.706 -87.5019 -1.41953 -19.9803 -95.4555 -14.9099 73.4042 203.281 PRESSAVG: 4097400 16.8909 -18.5651 16.3316 -18.5651 -50.1234 43.7725 16.3317 43.7724 26.5273 GPRESSAVG: 4097400 17.6524 -19.1082 13.4832 -17.9849 -50.1891 40.5043 19.0476 46.7508 25.7041 TIMING: 4097400 CPU: 11907.8, 0.0028821/step Wall: 11907.8, 0.0028821/step, 0.722607 hours remaining, 209.027344 MB of memory in use. ENERGY: 4097400 699.8642 2078.1300 1945.4129 114.8918 -205854.5257 17685.8601 0.0000 0.0000 34443.6579 -148886.7088 300.8050 -183330.3667 -148783.7562 299.8799 -38.4128 -10.3070 560151.4046 -2.2351 -2.2775 PRESSURE: 4097600 -26.9871 82.2588 16.5532 82.2587 -116.58 -64.2505 16.5537 -64.2507 -63.8951 GPRESSURE: 4097600 -20.9622 21.651 29.7862 93.2917 -62.4112 -35.4188 -32.6863 -49.0713 -32.598 PRESSAVG: 4097600 19.764 -38.1921 30.6049 -38.1921 7.64706 25.6457 30.605 25.6458 -18.178 GPRESSAVG: 4097600 19.6782 -38.2115 32.3101 -38.8331 7.81847 27.4355 29.9916 25.1792 -18.2864 TIMING: 4097600 CPU: 11908.4, 0.00288918/step Wall: 11908.4, 0.00288918/step, 0.724221 hours remaining, 209.027344 MB of memory in use. ENERGY: 4097600 736.8044 2068.4203 1934.7046 103.8450 -205850.5299 17663.9647 0.0000 0.0000 34419.7654 -148923.0255 300.5964 -183342.7909 -148822.9541 299.6403 -69.1540 -38.6571 559212.0149 3.0777 3.0701 PRESSURE: 4097800 -101.452 -114.085 -87.6145 -114.085 86.1346 76.7752 -87.6151 76.7769 -172.889 GPRESSURE: 4097800 -47.0465 -125.491 -89.027 -62.2161 39.9515 23.8694 81.0436 54.116 -97.6847 PRESSAVG: 4097800 22.0756 -56.91 -31.2937 -56.91 -24.011 39.0893 -31.2936 39.0893 43.6116 GPRESSAVG: 4097800 21.7836 -56.1929 -32.3488 -57.7278 -24.2436 38.6008 -29.9327 37.9619 44.4078 TIMING: 4097800 CPU: 11909, 0.00288963/step Wall: 11909, 0.00288963/step, 0.724172 hours remaining, 209.027344 MB of memory in use. ENERGY: 4097800 755.3727 2091.2775 1925.9117 121.0157 -206058.8484 17823.1692 0.0000 0.0000 34241.6175 -149100.4842 299.0406 -183342.1017 -149009.8051 299.5270 -62.7355 -34.9265 559718.5977 13.8921 13.9826 PRESSURE: 4098000 -38.6801 -166.585 -67.6269 -166.586 117.258 37.8318 -67.6271 37.8296 -56.8158 GPRESSURE: 4098000 35.3844 -67.6391 -140.323 -67.6532 115.627 130.079 -18.0736 62.4828 -35.3158 PRESSAVG: 4098000 -35.9768 25.2645 -22.762 25.2645 11.0361 16.7833 -22.762 16.7833 -20.165 GPRESSAVG: 4098000 -35.1947 24.9665 -21.0636 26.233 11.1551 17.2424 -25.0008 17.0026 -21.4032 TIMING: 4098000 CPU: 11909.6, 0.00290659/step Wall: 11909.6, 0.00290659/step, 0.728263 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4098000 716.9652 2027.2351 1951.1547 104.0434 -206247.0401 17877.2384 0.0000 0.0000 34326.1241 -149244.2792 299.7786 -183570.4033 -149144.7279 299.3063 7.2540 38.5651 559780.6464 -15.0352 -15.1476 PRESSURE: 4098200 -173.065 79.2486 64.2895 79.2482 -76.7023 3.46857 64.2893 3.46891 -42.1362 GPRESSURE: 4098200 -147.932 -48.5765 70.3211 134.176 -57.2472 0.383125 126.135 -17.3998 7.79199 PRESSAVG: 4098200 -17.89 -39.3508 10.4193 -39.3508 51.7868 -5.06082 10.4192 -5.06087 -4.98894 GPRESSAVG: 4098200 -16.9645 -40.01 8.14652 -37.4387 51.3857 -4.54066 10.7506 -4.25795 -5.4225 TIMING: 4098200 CPU: 11910.2, 0.00290213/step Wall: 11910.2, 0.00290213/step, 0.726983 hours remaining, 209.027344 MB of memory in use. ENERGY: 4098200 775.1562 2049.7401 1944.4019 96.5513 -206091.1761 17857.5083 0.0000 0.0000 34172.8893 -149194.9290 298.4403 -183367.8183 -149100.8698 298.6060 -97.3010 -65.7956 559035.5281 9.6360 9.6662 PRESSURE: 4098400 89.7069 107.377 111.614 107.376 -11.0286 56.8287 111.615 56.8281 -118.652 GPRESSURE: 4098400 172.397 107.59 154.66 124.295 -11.089 31.2772 130.146 43.4686 -102.224 PRESSAVG: 4098400 4.22885 4.98037 69.3003 4.98032 23.1774 46.1901 69.3003 46.19 -36.495 GPRESSAVG: 4098400 4.53622 3.61943 72.8254 4.47766 22.8654 44.2641 70.3697 46.887 -36.3412 TIMING: 4098400 CPU: 11910.7, 0.00290852/step Wall: 11910.7, 0.00290852/step, 0.728423 hours remaining, 209.027344 MB of memory in use. ENERGY: 4098400 712.0697 2077.3320 1921.4549 110.0312 -205513.5471 17564.7025 0.0000 0.0000 34070.1727 -149057.7841 297.5433 -183127.9569 -148960.7327 298.7704 -13.3247 19.6948 559705.0479 -3.0296 -2.9799 PRESSURE: 4098600 -273.212 180.597 11.0486 180.597 -340.47 -80.3781 11.0489 -80.3777 -272.429 GPRESSURE: 4098600 -267.056 162.086 -41.8725 213.53 -244.383 -61.5335 -9.45053 -58.6302 -279.339 PRESSAVG: 4098600 43.1159 -4.53052 28.0087 -4.53046 -17.7562 6.3676 28.0087 6.3677 -70.6344 GPRESSAVG: 4098600 42.3128 -2.38363 26.5893 -6.04586 -17.5911 6.61147 28.8041 5.13948 -70.4206 TIMING: 4098600 CPU: 11911.3, 0.00291667/step Wall: 11911.3, 0.00291667/step, 0.730303 hours remaining, 209.027344 MB of memory in use. ENERGY: 4098600 737.3848 2065.4137 1921.2796 130.6415 -205647.3454 17506.4255 0.0000 0.0000 34179.8484 -149106.3517 298.5011 -183286.2002 -149005.3614 299.6173 -295.3705 -263.5928 560944.4283 -15.0916 -15.2330 PRESSURE: 4098800 180.513 -67.188 -108.559 -67.1866 -92.3011 9.87524 -108.558 9.87689 -34.5408 GPRESSURE: 4098800 207.317 -102.691 -134.479 -47.1653 -80.2559 38.8583 -72.7483 6.81413 16.928 PRESSAVG: 4098800 12.5702 8.74427 10.9561 8.74431 -31.4149 30.2317 10.9562 30.2316 24.9422 GPRESSAVG: 4098800 11.721 6.81623 11.1975 9.40045 -30.9468 32.6024 8.65271 27.2787 25.4408 TIMING: 4098800 CPU: 11911.9, 0.0029124/step Wall: 11911.9, 0.0029124/step, 0.729071 hours remaining, 209.027344 MB of memory in use. ENERGY: 4098800 737.5958 2025.9592 1928.2317 107.1839 -205930.4924 17837.4614 0.0000 0.0000 34151.9725 -149142.0879 298.2577 -183294.0604 -149042.3694 298.8609 17.8902 47.9963 558392.9075 2.0325 2.0717 PRESSURE: 4099000 24.7283 -93.3381 -58.467 -93.3382 -131.172 41.0586 -58.4683 41.0593 26.0469 GPRESSURE: 4099000 37.9885 -203.91 -23.8486 -24.0824 -68.1513 -82.0918 -51.614 36.7353 44.9911 PRESSAVG: 4099000 -3.13857 16.5663 -17.5313 16.5663 -30.7594 39.1185 -17.5313 39.1184 40.4259 GPRESSAVG: 4099000 -2.94532 16.803 -20.054 15.9784 -31.2701 37.5961 -15.555 41.7706 40.3427 TIMING: 4099000 CPU: 11912.5, 0.00288823/step Wall: 11912.5, 0.00288823/step, 0.722859 hours remaining, 209.027344 MB of memory in use. ENERGY: 4099000 709.9582 2149.3738 1961.4736 108.7265 -206071.2774 17686.7400 0.0000 0.0000 34441.6353 -149013.3699 300.7874 -183455.0052 -148916.1988 299.9540 -26.7991 4.9428 556273.8365 2.1760 2.0424 PRESSURE: 4099200 -13.882 -107.953 68.2679 -107.952 -74.4104 62.4469 68.2679 62.445 -0.294011 GPRESSURE: 4099200 19.3307 -112.137 32.5266 -47.2224 -105.068 73.1487 9.15355 76.2349 88.8426 PRESSAVG: 4099200 -69.9058 13.4566 0.258194 13.4567 16.4171 -15.4091 0.258296 -15.4091 67.8436 GPRESSAVG: 4099200 -69.6197 13.6022 0.227233 16.6884 15.5619 -16.4311 0.244866 -16.1345 67.779 TIMING: 4099200 CPU: 11913.1, 0.00287142/step Wall: 11913.1, 0.00287142/step, 0.718494 hours remaining, 209.027344 MB of memory in use. ENERGY: 4099200 746.3787 2105.4903 1909.9879 103.7672 -205811.4643 17653.4095 0.0000 0.0000 34527.5846 -148764.8461 301.5380 -183292.4307 -148664.3138 299.9867 -29.5288 1.0352 558135.2655 4.7850 4.5737 PRESSURE: 4099400 184.258 14.7321 27.9101 14.7309 178.9 63.6256 27.9107 63.6259 123.699 GPRESSURE: 4099400 201.813 -31.8347 43.7134 19.7508 210.377 4.70511 12.1268 81.4522 178.432 PRESSAVG: 4099400 -40.5435 -13.03 -4.31765 -13.03 44.7542 -31.5041 -4.31765 -31.5042 -29.2723 GPRESSAVG: 4099400 -41.4813 -13.0255 -3.86441 -14.951 45.1454 -30.9695 -1.91086 -30.4973 -28.493 TIMING: 4099400 CPU: 11913.6, 0.00289381/step Wall: 11913.6, 0.00289381/step, 0.723935 hours remaining, 209.027344 MB of memory in use. ENERGY: 4099400 707.6162 2033.0919 1950.7905 122.7620 -206037.1238 17982.2030 0.0000 0.0000 34597.2032 -148643.4569 302.1460 -183240.6601 -148542.0391 300.5628 162.2856 196.8740 559057.8947 -8.3539 -8.2763 PRESSURE: 4099600 -77.3968 143.696 -105.181 143.696 66.3038 -135.238 -105.18 -135.24 279.055 GPRESSURE: 4099600 4.83773 118.916 -62.3986 182.174 81.3237 -62.0242 -89.0039 -133.166 280.235 PRESSAVG: 4099600 35.4162 -9.95878 -17.3923 -9.95886 -11.0004 -26.2441 -17.3923 -26.244 -18.9952 GPRESSAVG: 4099600 35.8762 -7.99962 -16.3717 -11.9315 -11.3502 -22.8324 -20.7397 -28.6539 -18.9312 TIMING: 4099600 CPU: 11914.2, 0.0029153/step Wall: 11914.2, 0.0029153/step, 0.72915 hours remaining, 209.027344 MB of memory in use. ENERGY: 4099600 765.8309 2136.9159 1954.7860 108.1966 -205876.0286 17863.6125 0.0000 0.0000 34457.2302 -148589.4565 300.9236 -183046.6868 -148495.3120 300.5903 89.3205 122.1321 557901.3068 1.8069 1.8650 PRESSURE: 4099800 -191.29 -167.5 -62.743 -167.501 -149.062 102.257 -62.7431 102.256 14.5801 GPRESSURE: 4099800 -169.811 -68.3786 -39.5115 -144.801 -118.015 73.4129 -24.4446 84.2841 62.5802 PRESSAVG: 4099800 -42.5351 -66.3829 33.6738 -66.383 8.12595 -6.83308 33.6738 -6.83291 25.016 GPRESSAVG: 4099800 -42.9708 -66.4822 32.7213 -62.7675 7.72871 -11.1051 34.9886 -6.33505 25.5221 TIMING: 4099800 CPU: 11914.8, 0.00290616/step Wall: 11914.8, 0.00290616/step, 0.726701 hours remaining, 209.027344 MB of memory in use. ENERGY: 4099800 777.6337 2117.6945 1954.6417 110.1504 -205683.8524 17669.2177 0.0000 0.0000 34374.2336 -148680.2808 300.1987 -183054.5143 -148582.5189 300.3018 -108.5906 -75.0820 559259.4856 -3.1310 -3.2400 PRESSURE: 4100000 -136.826 19.414 -72.376 19.4128 -57.7927 -41.1193 -72.3766 -41.1199 -6.2092 GPRESSURE: 4100000 -62.4772 137.138 -66.7068 -44.7207 -52.7677 -24.986 -58.4238 -23.339 20.4467 PRESSAVG: 4100000 30.5531 -55.8148 -5.28872 -55.8148 -51.2542 8.99891 -5.28868 8.99886 -7.48113 GPRESSAVG: 4100000 31.7254 -56.2591 -6.26286 -56.4338 -50.7172 12.0959 -4.30603 9.70988 -7.94251 TIMING: 4100000 CPU: 11915.4, 0.00290297/step Wall: 11915.4, 0.00290297/step, 0.725743 hours remaining, 209.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4100000 788.1979 2054.6082 1959.2874 109.3485 -205761.6658 17781.4587 0.0000 0.0000 34517.7570 -148551.0081 301.4522 -183068.7651 -148463.3434 300.8311 -66.9425 -31.5994 559353.0354 -9.3941 -8.9781 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.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 347.225 49.7607 11.2748 49.7615 -68.9364 41.1774 11.2755 41.179 45.7144 GPRESSURE: 4100200 322.078 59.3268 38.9013 56.3513 0.964912 55.8231 49.9555 27.4511 93.7994 PRESSAVG: 4100200 6.80708 39.0849 3.30587 39.085 -3.28221 18.3982 3.30594 18.3982 58.7429 GPRESSAVG: 4100200 6.59089 39.5186 5.94434 39.1013 -3.57334 19.978 1.1662 18.6964 59.5763 TIMING: 4100200 CPU: 11916, 0.00320424/step Wall: 11916, 0.00320424/step, 0.800881 hours remaining, 209.027344 MB of memory in use. ENERGY: 4100200 746.0448 2126.0377 1925.0775 120.1696 -205972.8361 17995.8563 0.0000 0.0000 34631.6633 -148427.9870 302.4469 -183059.6503 -148340.4878 301.2766 108.0010 138.9475 560806.6225 20.7559 20.8646 LDB: ============= START OF LOAD BALANCING ============== 11919.5 LDB: ============== END OF LOAD BALANCING =============== 11919.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11919.5 LDB: ============= START OF LOAD BALANCING ============== 11919.8 LDB: Largest compute 4848 load 0.027213 is 23.1% of average load 0.117892 LDB: Average compute 0.001727 is 1.5% of average load 0.117892 LDB: TIME 11919.8 LOAD: AVG 0.117892 MAX 0.181288 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.871 MB LDB: TIME 11919.8 LOAD: AVG 0.117892 MAX 0.181288 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: TIME 11919.8 LOAD: AVG 0.117892 MAX 0.181288 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11919.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11919.8 PRESSURE: 4100400 -9.18012 121.543 132.86 121.544 -66.4419 -145.005 132.86 -145.007 109.362 GPRESSURE: 4100400 33.5434 54.1385 37.2087 154.47 -50.0248 -157.433 101.447 -184.889 159.278 PRESSAVG: 4100400 8.0828 9.73678 31.8506 9.73693 -28.7304 29.2734 31.8506 29.2736 27.1309 GPRESSAVG: 4100400 8.47968 10.9506 29.6153 8.11438 -28.2699 28.1644 32.6955 28.0754 26.2305 TIMING: 4100400 CPU: 11916.6, 0.00294791/step Wall: 11916.6, 0.00294791/step, 0.73665 hours remaining, 209.214844 MB of memory in use. ENERGY: 4100400 759.1057 2090.8041 1965.8098 107.8751 -205850.2488 17837.8857 0.0000 0.0000 34442.0092 -148646.7592 300.7906 -183088.7684 -148545.2729 300.6104 11.2467 47.5990 560755.0502 2.1611 2.1467 PRESSURE: 4100600 -2.96188 -29.5449 -18.4315 -29.5443 115.005 79.4949 -18.4316 79.4974 -150.529 GPRESSURE: 4100600 -27.9255 -35.5425 -47.6253 -33.4029 175.969 97.7153 40.3869 111.724 -86.8292 PRESSAVG: 4100600 12.0997 -27.8187 30.1288 -27.8186 -48.144 50.8028 30.1287 50.8028 31.8814 GPRESSAVG: 4100600 11.3488 -29.2369 30.1312 -28.7466 -46.6731 49.362 30.7149 51.3616 31.4219 TIMING: 4100600 CPU: 11917.2, 0.00289601/step Wall: 11917.2, 0.00289601/step, 0.723519 hours remaining, 209.417969 MB of memory in use. ENERGY: 4100600 752.8938 2139.8387 1946.4339 121.8102 -205621.2457 17832.7710 0.0000 0.0000 34449.8155 -148377.6825 300.8588 -182827.4981 -148279.0316 300.9156 -12.8286 20.4049 559664.3971 -1.3876 -1.3008 PRESSURE: 4100800 223.335 135.422 -5.66408 135.422 -16.5471 73.3036 -5.6636 73.3026 104.44 GPRESSURE: 4100800 252.162 52.8645 -25.6673 194.051 -8.31041 65.9688 -38.3644 156.388 168.129 PRESSAVG: 4100800 -32.9247 -29.6676 -12.2174 -29.6676 9.56682 -8.14091 -12.2174 -8.14101 40.8853 GPRESSAVG: 4100800 -32.661 -32.1581 -9.90208 -28.3746 9.52129 -7.28976 -13.2512 -7.73332 41.0039 TIMING: 4100800 CPU: 11917.8, 0.00288945/step Wall: 11917.8, 0.00288945/step, 0.721719 hours remaining, 209.417969 MB of memory in use. ENERGY: 4100800 735.0164 2093.1750 1958.1264 129.4002 -205874.0067 18026.5111 0.0000 0.0000 34458.2669 -148473.5107 300.9326 -182931.7776 -148379.7882 301.1283 103.7427 137.3270 558790.9031 5.8425 5.9547 PRESSURE: 4101000 12.1523 -145.149 55.6359 -145.148 125.226 32.2828 55.6362 32.2822 11.9911 GPRESSURE: 4101000 47.2804 -137.491 -4.44986 -82.7517 127.491 -10.2026 156.334 99.1724 61.8536 PRESSAVG: 4101000 28.3719 4.28916 -42.0859 4.28911 -93.2219 29.2362 -42.0858 29.236 80.6127 GPRESSAVG: 4101000 29.0718 7.95129 -44.7771 4.61836 -94.2532 28.9119 -40.8045 30.4407 80.9921 TIMING: 4101000 CPU: 11918.4, 0.00289072/step Wall: 11918.4, 0.00289072/step, 0.721876 hours remaining, 209.417969 MB of memory in use. ENERGY: 4101000 745.8028 2043.1658 1951.6300 101.7929 -205662.9736 17938.6166 0.0000 0.0000 34391.4242 -148490.5414 300.3489 -182881.9656 -148388.9475 300.3096 49.7897 78.8750 559602.2002 5.2542 5.2703 PRESSURE: 4101200 -306.51 10.5863 129.752 10.5869 -73.5609 144.814 129.752 144.814 -172.559 GPRESSURE: 4101200 -251.319 30.0918 158.848 36.1547 -88.5292 73.6678 -11.2229 73.7487 -111.588 PRESSAVG: 4101200 -32.6509 51.9749 -16.9806 51.9749 -31.8794 -16.8051 -16.9807 -16.8052 20.0517 GPRESSAVG: 4101200 -31.8237 51.0667 -14.7532 51.5939 -32.3644 -15.1539 -18.2225 -18.8897 19.8298 TIMING: 4101200 CPU: 11918.9, 0.00288951/step Wall: 11918.9, 0.00288951/step, 0.721415 hours remaining, 209.417969 MB of memory in use. ENERGY: 4101200 771.4877 2117.1632 1991.7528 130.3458 -205579.5772 17563.1491 0.0000 0.0000 34381.3198 -148624.3587 300.2606 -183005.6784 -148525.6217 301.4601 -184.2098 -150.4788 561136.0638 -14.8262 -14.7861 PRESSURE: 4101400 -149.012 -24.2648 -148.682 -24.2634 -69.9607 -94.1039 -148.681 -94.1038 -48.0196 GPRESSURE: 4101400 -116.927 22.336 -211.064 42.0684 -52.7432 -152.898 -27.1996 -133.576 11.6765 PRESSAVG: 4101400 -19.6524 28.4187 -36.1811 28.4187 27.4864 -10.5036 -36.181 -10.5035 -26.7981 GPRESSAVG: 4101400 -20.0656 28.3864 -38.2898 27.2909 27.4142 -11.2307 -34.8871 -10.3019 -26.5132 TIMING: 4101400 CPU: 11919.5, 0.00288686/step Wall: 11919.5, 0.00288686/step, 0.720593 hours remaining, 209.417969 MB of memory in use. ENERGY: 4101400 729.6276 2101.4847 1968.3499 103.9647 -205866.7585 17767.8244 0.0000 0.0000 34663.4642 -148532.0431 302.7247 -183195.5073 -148433.0853 300.8835 -88.9973 -52.6646 558737.2654 -6.3214 -6.3882 PRESSURE: 4101600 113.643 17.0696 49.2236 17.0692 -320.498 67.0524 49.222 67.0527 -98.636 GPRESSURE: 4101600 134.633 -35.4465 135.235 43.2672 -315.247 -14.0977 33.5871 68.0182 -32.5478 PRESSAVG: 4101600 22.4239 39.6894 -22.3277 39.6894 -44.3791 -6.61296 -22.3277 -6.61297 -4.04355 GPRESSAVG: 4101600 21.7165 40.0422 -21.4315 41.5175 -43.3593 -8.64767 -20.9175 -5.75387 -4.05259 TIMING: 4101600 CPU: 11920.1, 0.0028711/step Wall: 11920.1, 0.0028711/step, 0.716499 hours remaining, 209.417969 MB of memory in use. ENERGY: 4101600 725.3419 2072.5462 1954.8281 116.8227 -205681.2665 17499.5960 0.0000 0.0000 34541.2645 -148770.8671 301.6575 -183312.1316 -148665.5192 301.3166 -101.8304 -71.0537 557214.3285 -8.6662 -8.5651 PRESSURE: 4101800 -134.102 -24.9698 82.2978 -24.9701 -120.311 58.913 82.2978 58.9127 -159.487 GPRESSURE: 4101800 -90.393 -63.6474 97.0855 -86.8983 -109.216 18.6815 84.3652 100.565 -123.678 PRESSAVG: 4101800 33.4168 -6.42161 -18.709 -6.42157 -34.795 -8.56442 -18.7091 -8.56442 -38.5048 GPRESSAVG: 4101800 34.8276 -7.63982 -17.8506 -7.48967 -36.0072 -7.59549 -21.4488 -7.97048 -38.5455 TIMING: 4101800 CPU: 11920.7, 0.0028579/step Wall: 11920.7, 0.0028579/step, 0.713045 hours remaining, 209.417969 MB of memory in use. ENERGY: 4101800 762.0031 2120.2653 1934.9248 114.0944 -205755.7941 17528.4367 0.0000 0.0000 34525.3129 -148770.7568 301.5181 -183296.0697 -148676.3196 300.0862 -137.9666 -107.7623 557856.0375 -13.2943 -13.2417 PRESSURE: 4102000 -246.902 0.983167 -103.948 0.982691 243.861 24.0162 -103.948 24.0169 -61.8985 GPRESSURE: 4102000 -169.431 -34.6323 -80.9386 61.2194 252.886 29.1738 -88.9561 11.1284 -57.7971 PRESSAVG: 4102000 10.7966 6.11627 2.1482 6.11632 -11.6538 19.6362 2.14824 19.6362 3.96948 GPRESSAVG: 4102000 10.0324 8.0071 1.64015 5.4888 -10.0229 21.0154 2.42598 18.5218 3.48805 TIMING: 4102000 CPU: 11921.2, 0.00286931/step Wall: 11921.2, 0.00286931/step, 0.715733 hours remaining, 209.417969 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: 4102000 745.0746 2027.7642 1952.9014 103.2569 -205758.2802 17532.9995 0.0000 0.0000 34314.7089 -149081.5747 299.6789 -183396.2836 -148980.3369 300.3606 -21.6468 8.5526 556324.1908 1.0374 1.1659 PRESSURE: 4102200 239.426 -129.451 97.3124 -129.451 95.3993 87.3973 97.3115 87.398 140.873 GPRESSURE: 4102200 300.997 -132.195 108.953 -101.762 141.868 72.7198 84.4305 88.1854 117.311 PRESSAVG: 4102200 -27.322 17.2316 27.5625 17.2317 6.77189 -13.3103 27.5625 -13.3104 30.3594 GPRESSAVG: 4102200 -26.1078 15.5042 27.8723 18.3634 4.55692 -13.5597 29.1531 -13.861 31.0314 TIMING: 4102200 CPU: 11921.8, 0.00288661/step Wall: 11921.8, 0.00288661/step, 0.719889 hours remaining, 209.417969 MB of memory in use. ENERGY: 4102200 718.5967 2134.6095 1997.5816 119.7586 -206413.2675 17985.0167 0.0000 0.0000 34372.7852 -149084.9191 300.1861 -183457.7043 -148989.2393 299.0970 158.5661 186.7251 555417.6890 3.2697 3.1602 PRESSURE: 4102400 6.27661 -3.83847 -228.663 -3.83831 -122.461 34.9349 -228.662 34.936 -121.678 GPRESSURE: 4102400 48.6158 -80.9192 -242.136 62.5389 -148.121 -62.3489 -254.329 103.003 -65.6665 PRESSAVG: 4102400 -23.5322 25.8147 -15.6874 25.8147 41.0776 -2.9101 -15.6874 -2.90999 -26.7992 GPRESSAVG: 4102400 -25.077 26.2908 -14.8199 24.6066 43.1831 -3.76589 -18.0815 -1.32056 -27.7435 TIMING: 4102400 CPU: 11922.4, 0.00290515/step Wall: 11922.4, 0.00290515/step, 0.72435 hours remaining, 209.621094 MB of memory in use. ENERGY: 4102400 765.1369 2061.9232 1960.1729 115.1036 -205615.3180 17395.4781 0.0000 0.0000 34111.6900 -149205.8132 297.9059 -183317.5032 -149106.2768 298.9583 -79.2875 -55.0573 556128.5498 -3.0846 -3.2125 PRESSURE: 4102600 -364.942 121.905 -1.72187 121.904 -259.3 -113.816 -1.72104 -113.814 -482.467 GPRESSURE: 4102600 -348.409 173.286 35.8768 21.1968 -246.598 -191.866 -29.8114 -62.5342 -424.073 PRESSAVG: 4102600 -14.6501 19.4334 -55.3509 19.4334 -12.7019 -50.1157 -55.351 -50.1157 11.3196 GPRESSAVG: 4102600 -13.2242 19.1369 -56.3396 20.0482 -13.7037 -48.7822 -54.6707 -51.5554 10.7805 TIMING: 4102600 CPU: 11923, 0.00290419/step Wall: 11923, 0.00290419/step, 0.72395 hours remaining, 209.621094 MB of memory in use. ENERGY: 4102600 764.1335 2110.5368 1964.9412 111.3148 -205789.0143 17350.1442 0.0000 0.0000 34156.1713 -149331.7724 298.2943 -183487.9437 -149231.0365 299.1194 -368.9030 -339.6936 558609.3998 -5.3441 -5.3825 PRESSURE: 4102800 40.9765 25.1713 97.9716 25.1714 -201.206 100.926 97.9707 100.924 -223.49 GPRESSURE: 4102800 76.685 77.916 51.8425 -2.47918 -152.96 196.678 45.172 144.326 -226.286 PRESSAVG: 4102800 -17.9469 30.7453 -21.6782 30.7454 12.6564 61.6106 -21.6783 61.6105 25.2793 GPRESSAVG: 4102800 -17.1979 31.4001 -21.8232 29.5864 11.5896 61.9047 -22.4732 61.3329 24.8542 TIMING: 4102800 CPU: 11923.5, 0.00290136/step Wall: 11923.5, 0.00290136/step, 0.723083 hours remaining, 209.621094 MB of memory in use. ENERGY: 4102800 730.4137 2048.2152 1963.2042 110.4807 -206598.6591 17847.0017 0.0000 0.0000 34419.1392 -149480.2044 300.5909 -183899.3436 -149384.5804 297.9490 -127.9062 -100.8538 558306.3540 6.6629 6.4153 PRESSURE: 4103000 -99.8569 -70.2168 27.3763 -70.2174 -125.963 -116.172 27.3768 -116.172 -209.859 GPRESSURE: 4103000 -83.987 -44.328 42.2973 -134.144 -167.535 -111.436 -1.58251 -185.296 -94.9456 PRESSAVG: 4103000 -21.7646 11.9761 -10.779 11.976 -35.1455 29.5835 -10.7788 29.5835 78.1096 GPRESSAVG: 4103000 -23.4083 11.7757 -10.3483 13.0782 -33.9772 29.1523 -9.48973 29.5082 78.5717 TIMING: 4103000 CPU: 11924.1, 0.00289748/step Wall: 11924.1, 0.00289748/step, 0.721956 hours remaining, 209.621094 MB of memory in use. ENERGY: 4103000 768.2565 2031.1069 1949.4778 110.0947 -206272.6295 17624.3789 0.0000 0.0000 34226.9784 -149562.3363 298.9127 -183789.3147 -149465.9385 299.0184 -145.2260 -115.4892 557719.1275 7.0665 7.0621 PRESSURE: 4103200 -320.785 2.58979 99.2615 2.58807 -149.729 -102.902 99.2614 -102.904 -190.617 GPRESSURE: 4103200 -274.503 48.5451 80.1985 19.2152 -162.502 -86.6744 99.4312 -128.607 -108.192 PRESSAVG: 4103200 -31.9662 -42.1906 -33.8021 -42.1906 3.12003 -1.13278 -33.8021 -1.13281 80.1523 GPRESSAVG: 4103200 -32.8173 -43.4843 -34.2365 -42.2098 3.36876 -3.43993 -32.6108 1.27156 80.7434 TIMING: 4103200 CPU: 11924.7, 0.0028822/step Wall: 11924.7, 0.0028822/step, 0.717989 hours remaining, 209.621094 MB of memory in use. ENERGY: 4103200 702.3246 2110.9403 1946.5385 113.6454 -206235.5527 17500.3007 0.0000 0.0000 34347.6262 -149514.1771 299.9664 -183861.8033 -149419.7930 298.7762 -220.3770 -181.7322 557747.4857 17.1020 17.0983 PRESSURE: 4103400 -151.709 -9.76721 85.6239 -9.76685 214.276 45.7214 85.6236 45.721 -248.774 GPRESSURE: 4103400 -102.984 -19.3168 76.9926 74.7646 184.02 115.581 156.4 35.0829 -173.151 PRESSAVG: 4103400 -33.7295 -40.5584 -10.3799 -40.5585 28.1003 -17.8986 -10.3799 -17.8985 3.87531 GPRESSAVG: 4103400 -33.31 -40.93 -9.75048 -38.2659 27.0291 -15.8796 -10.3651 -19.3352 4.11896 TIMING: 4103400 CPU: 11925.3, 0.00291213/step Wall: 11925.3, 0.00291214/step, 0.725283 hours remaining, 209.621094 MB of memory in use. ENERGY: 4103400 748.9362 2051.1145 1961.0036 119.7528 -206440.3967 17839.9750 0.0000 0.0000 34332.1905 -149387.4241 299.8316 -183719.6145 -149293.6932 299.0148 -62.0689 -30.7052 557313.6379 -0.5846 -0.7206 PRESSURE: 4103600 0.699015 -101.925 7.35051 -101.924 93.0008 -95.0604 7.35117 -95.0577 123.789 GPRESSURE: 4103600 65.6557 -39.0931 15.5128 1.75106 62.4066 -58.0535 -22.9916 -99.9935 176.449 PRESSAVG: 4103600 -10.2599 13.6642 -25.4405 13.6642 28.2536 -18.681 -25.4405 -18.6809 -10.859 GPRESSAVG: 4103600 -10.9912 15.7157 -26.5106 13.4067 29.7491 -20.2991 -27.3375 -16.1482 -11.4623 TIMING: 4103600 CPU: 11925.9, 0.00290013/step Wall: 11925.9, 0.00290013/step, 0.722133 hours remaining, 209.621094 MB of memory in use. ENERGY: 4103600 710.1388 2026.6643 1950.8158 113.2294 -206058.3148 17708.5398 0.0000 0.0000 34129.8695 -149419.0572 298.0646 -183548.9267 -149319.8952 298.7418 72.4962 101.5037 555925.3363 2.3782 2.4319 PRESSURE: 4103800 -56.7812 68.2085 -159.112 68.2081 -73.1782 3.56289 -159.112 3.56338 184.416 GPRESSURE: 4103800 -57.4822 73.6267 -241.689 94.8593 -16.2257 -84.8255 -130.661 42.3425 229.412 PRESSAVG: 4103800 12.6954 45.6763 -18.0554 45.6764 8.52083 -36.2544 -18.0555 -36.2545 -30.1024 GPRESSAVG: 4103800 14.0091 44.2832 -17.9765 43.5302 8.20825 -33.932 -17.3367 -38.2606 -31.4843 TIMING: 4103800 CPU: 11926.4, 0.00287665/step Wall: 11926.4, 0.00287665/step, 0.716126 hours remaining, 209.632812 MB of memory in use. ENERGY: 4103800 735.4592 2098.5549 1951.8638 114.7997 -206254.2804 17947.1947 0.0000 0.0000 34104.5548 -149301.8534 297.8436 -183406.4082 -149211.8045 299.1134 18.1522 51.9015 557216.6981 -2.9621 -3.0890 PRESSURE: 4104000 -149.099 -58.9457 -91.9833 -58.9468 -25.718 -41.8938 -91.9831 -41.893 -165.147 GPRESSURE: 4104000 -110.67 -49.1868 -57.3725 -65.3329 -49.4382 -74.7878 -131.84 -25.1853 -85.9459 PRESSAVG: 4104000 -54.5068 13.4637 11.8081 13.4636 44.9706 -41.2861 11.8081 -41.2861 -23.9258 GPRESSAVG: 4104000 -55.5013 14.8585 11.67 14.542 45.7152 -41.9648 11.7196 -42.1863 -23.9526 TIMING: 4104000 CPU: 11927, 0.00287893/step Wall: 11927, 0.00287893/step, 0.716535 hours remaining, 209.632812 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: 4104000 697.7279 2055.4453 1941.0811 114.6992 -205890.8879 17635.8587 0.0000 0.0000 34333.2829 -149112.7928 299.8411 -183446.0757 -149017.0273 300.0178 -113.3212 -82.0180 557220.7253 -11.1540 -11.2463 PRESSURE: 4104200 84.575 -48.6439 71.1239 -48.6437 172.73 41.3771 71.1244 41.3779 -164.578 GPRESSURE: 4104200 106.632 -88.9947 26.7599 -10.2853 235.147 -74.1411 133.293 107.999 -147.042 PRESSAVG: 4104200 25.4993 24.5627 -18.6921 24.5627 54.3975 38.9894 -18.6921 38.9894 -17.4147 GPRESSAVG: 4104200 25.6309 24.2714 -18.4094 25.0058 53.6162 38.2945 -18.0036 38.0022 -17.006 TIMING: 4104200 CPU: 11927.6, 0.00289278/step Wall: 11927.6, 0.00289278/step, 0.719821 hours remaining, 209.632812 MB of memory in use. ENERGY: 4104200 701.4983 2072.1627 1962.1935 104.7610 -206053.8362 17792.2756 0.0000 0.0000 34342.5625 -149078.3825 299.9221 -183420.9450 -148980.3374 300.1267 30.9090 64.9123 556294.3392 20.8274 20.7470 LDB: ============= START OF LOAD BALANCING ============== 11931.1 LDB: ============== END OF LOAD BALANCING =============== 11931.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11931.1 LDB: ============= START OF LOAD BALANCING ============== 11931.4 LDB: Largest compute 4848 load 0.026703 is 22.6% of average load 0.117931 LDB: Average compute 0.001723 is 1.5% of average load 0.117931 LDB: TIME 11931.4 LOAD: AVG 0.117931 MAX 0.18093 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 11931.4 LOAD: AVG 0.117931 MAX 0.18093 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: TIME 11931.4 LOAD: AVG 0.117931 MAX 0.18093 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11931.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11931.4 PRESSURE: 4104400 -163.041 102.326 -12.1873 102.326 -225.586 -175.257 -12.1868 -175.257 -17.4273 GPRESSURE: 4104400 -152.31 97.6961 -96.3332 153.458 -233.331 -242.964 23.4961 -90.2369 73.5216 PRESSAVG: 4104400 13.4376 15.4741 -15.9893 15.474 -32.79 -12.3131 -15.9893 -12.3132 46.5105 GPRESSAVG: 4104400 13.5229 16.0258 -16.0967 13.4763 -33.3788 -12.2139 -16.6256 -11.6256 46.6462 TIMING: 4104400 CPU: 11928.2, 0.00294824/step Wall: 11928.2, 0.00294824/step, 0.733456 hours remaining, 207.875000 MB of memory in use. ENERGY: 4104400 738.3099 2037.6528 1948.8637 118.5124 -205808.4453 17582.1097 0.0000 0.0000 34099.6840 -149283.3128 297.8010 -183382.9968 -149183.1552 299.0454 -135.3515 -104.0400 557726.5911 9.0527 8.9301 PRESSURE: 4104600 -357.721 188.298 66.9188 188.297 -267.416 -45.4857 66.9174 -45.4849 -41.2625 GPRESSURE: 4104600 -304.704 168.94 52.5387 244.559 -195.609 -21.1655 50.5678 -47.3924 -54.7957 PRESSAVG: 4104600 -33.7699 67.3079 -3.17497 67.3079 -19.6137 -5.87146 -3.175 -5.87143 73.3893 GPRESSAVG: 4104600 -33.9797 66.504 -2.07878 67.5745 -19.2927 -4.02656 -2.5283 -6.59303 73.3798 TIMING: 4104600 CPU: 11928.8, 0.00291075/step Wall: 11928.8, 0.00291075/step, 0.723968 hours remaining, 208.203125 MB of memory in use. ENERGY: 4104600 754.0503 2080.0828 1947.5417 103.5827 -205803.3763 17445.0434 0.0000 0.0000 34162.7167 -149310.3588 298.3515 -183473.0756 -149220.6981 298.8771 -222.1332 -185.0360 556972.6487 6.6686 6.7025 PRESSURE: 4104800 -56.6533 76.0182 -4.46462 76.0185 -88.3135 342.507 -4.46503 342.507 -287.264 GPRESSURE: 4104800 -29.4336 119.705 -42.1921 78.2977 -20.4655 262.891 54.5561 372.365 -288.752 PRESSAVG: 4104800 36.7457 53.4423 17.5122 53.4423 -41.7726 -13.87 17.5122 -13.8699 1.78852 GPRESSAVG: 4104800 37.3433 54.0596 17.1383 52.2235 -41.8417 -14.9954 17.1857 -9.20335 1.20748 TIMING: 4104800 CPU: 11929.3, 0.00290322/step Wall: 11929.3, 0.00290322/step, 0.721933 hours remaining, 208.273438 MB of memory in use. ENERGY: 4104800 728.8808 2091.4002 1951.2613 116.4708 -206151.2009 17688.4631 0.0000 0.0000 34380.6676 -149194.0571 300.2549 -183574.7247 -149098.3521 299.3070 -144.0769 -112.8837 557120.3021 -1.0795 -1.0970 PRESSURE: 4105000 -83.0982 102.558 -47.9213 102.558 -114.366 87.7646 -47.9204 87.7658 -146.05 GPRESSURE: 4105000 -66.405 55.7888 -85.4556 118.743 -83.5578 206.81 -1.67855 89.2167 -112.104 PRESSAVG: 4105000 -32.11 -19.4915 -22.4687 -19.4916 -9.60551 40.1947 -22.4686 40.1948 54.0966 GPRESSAVG: 4105000 -32.2625 -21.1659 -21.7293 -17.5006 -9.06863 39.6991 -22.9974 38.6978 53.8993 TIMING: 4105000 CPU: 11929.9, 0.00288619/step Wall: 11929.9, 0.00288619/step, 0.717538 hours remaining, 208.273438 MB of memory in use. ENERGY: 4105000 720.5865 2077.7435 1937.0992 111.7040 -205907.5034 17660.5081 0.0000 0.0000 34185.3298 -149214.5322 298.5490 -183399.8620 -149125.7908 299.0022 -114.5048 -87.3556 557873.3429 4.1271 4.1894 PRESSURE: 4105200 -142.595 51.2917 68.5653 51.2924 -75.3721 249.343 68.5664 249.344 -141.054 GPRESSURE: 4105200 -141.331 56.3082 45.853 -0.480201 -36.244 198.018 66.3121 219.437 -79.0969 PRESSAVG: 4105200 -13.5942 4.77394 27.6943 4.77396 15.5025 40.9311 27.6943 40.9311 -34.5017 GPRESSAVG: 4105200 -13.6681 5.10903 26.44 4.87751 15.2829 41.7756 29.1865 38.5363 -33.9848 TIMING: 4105200 CPU: 11930.5, 0.00290349/step Wall: 11930.5, 0.00290349/step, 0.721677 hours remaining, 208.273438 MB of memory in use. ENERGY: 4105200 736.2070 2041.3106 1918.5975 111.6156 -205848.9297 17603.5610 0.0000 0.0000 34235.5896 -149202.0484 298.9879 -183437.6380 -149115.3257 298.8089 -119.6738 -85.5574 558456.4462 -10.8645 -10.7900 PRESSURE: 4105400 21.7541 98.0341 -13.9866 98.0333 -108.295 -40.2665 -13.9871 -40.2648 -54.5545 GPRESSURE: 4105400 82.1319 93.3452 35.9135 75.4427 -40.5486 7.63113 -29.6213 -5.44314 -67.6015 PRESSAVG: 4105400 21.9905 40.1037 28.7804 40.1037 -71.3283 18.7844 28.7803 18.7845 22.4687 GPRESSAVG: 4105400 22.3782 41.2933 29.9031 38.5325 -70.4831 17.9727 29.3633 21.7408 21.0984 TIMING: 4105400 CPU: 11931.1, 0.00290091/step Wall: 11931.1, 0.00290091/step, 0.720876 hours remaining, 208.273438 MB of memory in use. ENERGY: 4105400 748.4063 2012.5594 1960.6735 115.7814 -205966.0976 17656.3212 0.0000 0.0000 34211.9466 -149260.4093 298.7814 -183472.3559 -149163.6882 298.8387 -47.0316 -8.6727 557457.0441 -8.9564 -9.0022 PRESSURE: 4105600 114.88 2.78276 30.8147 2.78177 -198.363 -11.7618 30.8141 -11.7632 -104.432 GPRESSURE: 4105600 189.52 16.3252 11.7258 -36.7813 -199.748 -4.3157 28.7194 -31.233 -76.3763 PRESSAVG: 4105600 23.17 -8.84436 21.435 -8.84434 9.08104 28.7368 21.4349 28.7368 -13.68 GPRESSAVG: 4105600 22.2917 -9.20255 21.6474 -11.0418 8.04382 28.5068 18.9711 26.518 -11.8672 TIMING: 4105600 CPU: 11931.7, 0.00289354/step Wall: 11931.7, 0.00289353/step, 0.718883 hours remaining, 208.273438 MB of memory in use. ENERGY: 4105600 749.3792 2046.3347 1933.6446 114.6623 -205856.6979 17603.3495 0.0000 0.0000 34098.3810 -149310.9466 297.7896 -183409.3276 -149211.5131 299.0746 -62.6380 -28.8682 556748.3401 6.1904 6.1561 PRESSURE: 4105800 -79.7845 1.85812 -149.234 1.85847 24.9121 61.4747 -149.234 61.4739 -28.7616 GPRESSURE: 4105800 -66.2658 5.56476 -101.749 -69.6354 78.6001 89.8603 -105.604 52.5396 -8.93964 PRESSAVG: 4105800 -10.0367 -27.4504 28.6094 -27.4504 39.2366 -73.61 28.6093 -73.61 21.3344 GPRESSAVG: 4105800 -9.70783 -29.3771 28.8902 -23.9956 39.7211 -73.6349 28.4011 -71.9996 21.031 TIMING: 4105800 CPU: 11932.2, 0.00289349/step Wall: 11932.2, 0.00289349/step, 0.718711 hours remaining, 208.273438 MB of memory in use. ENERGY: 4105800 758.4926 2112.7661 1945.0659 103.1636 -206182.1174 17874.1585 0.0000 0.0000 34241.6076 -149146.8632 299.0405 -183388.4708 -149049.9481 298.9686 -27.8780 1.1315 557888.3622 16.8448 17.0147 PRESSURE: 4106000 28.4461 8.24264 -17.2884 8.24369 -103.539 131.854 -17.2898 131.853 -171.858 GPRESSURE: 4106000 61.1536 -114.01 2.95351 130.577 -103.203 159.06 28.2919 82.4533 -108.015 PRESSAVG: 4106000 27.2088 34.1381 -14.9014 34.1381 5.32003 29.2653 -14.9014 29.2652 -76.3233 GPRESSAVG: 4106000 27.6072 36.2785 -13.1987 32.7512 5.17102 29.0294 -12.6661 26.9317 -76.3837 TIMING: 4106000 CPU: 11932.8, 0.00291121/step Wall: 11932.8, 0.00291121/step, 0.722951 hours remaining, 208.273438 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: 4106000 747.7204 2083.1255 1970.7836 112.4639 -206172.6294 17797.6588 0.0000 0.0000 34327.0829 -149133.7943 299.7870 -183460.8772 -149035.1037 299.4487 -82.3170 -50.0214 558770.3660 -14.5982 -14.5352 PRESSURE: 4106200 125.694 -40.3486 135.299 -40.3505 75.3171 27.9349 135.298 27.9341 32.7086 GPRESSURE: 4106200 155.751 45.7097 174.755 -82.9799 63.688 37.8328 101.14 -14.0991 105.603 PRESSAVG: 4106200 2.98872 -21.3404 8.49437 -21.3403 40.8288 50.1948 8.49437 50.1948 -13.033 GPRESSAVG: 4106200 3.88977 -20.3595 7.13125 -21.1608 40.5117 52.623 7.1294 49.2318 -12.9499 TIMING: 4106200 CPU: 11933.4, 0.00288656/step Wall: 11933.4, 0.00288656/step, 0.716669 hours remaining, 208.273438 MB of memory in use. ENERGY: 4106200 754.7002 2085.8866 1927.6975 113.3912 -206160.8095 18017.3974 0.0000 0.0000 34411.4548 -148850.2817 300.5238 -183261.7365 -148755.2260 300.0625 77.9066 108.3474 559187.5451 10.2615 10.4838 PRESSURE: 4106400 9.91734 -129.777 24.8637 -129.776 -173.765 164.361 24.8646 164.361 -205.67 GPRESSURE: 4106400 -47.8006 -221.995 26.2806 -70.1809 -97.3376 196.246 51.4641 228.18 -145.505 PRESSAVG: 4106400 28.0858 -45.7951 48.0056 -45.7949 -44.9697 13.9272 48.0057 13.9271 -27.2261 GPRESSAVG: 4106400 27.1047 -45.5207 48.4896 -46.294 -44.4119 11.4166 48.2686 16.6504 -27.0678 TIMING: 4106400 CPU: 11934, 0.00289268/step Wall: 11934, 0.00289268/step, 0.718027 hours remaining, 208.273438 MB of memory in use. ENERGY: 4106400 759.5802 2135.5523 1937.8300 105.8377 -205227.8252 17424.7567 0.0000 0.0000 34169.0420 -148695.2264 298.4067 -182864.2684 -148601.8539 300.1017 -123.1727 -96.8812 559567.6393 -14.7033 -14.7917 PRESSURE: 4106600 -165.481 -57.3361 56.8873 -57.3359 -269.733 -115.87 56.8868 -115.871 -195.408 GPRESSURE: 4106600 -164.872 -46.6735 16.615 -27.7866 -214.314 -109.3 75.4194 -69.2654 -179.294 PRESSAVG: 4106600 76.6653 -0.874659 29.6538 -0.874564 33.3218 -10.1572 29.6538 -10.1573 -62.1012 GPRESSAVG: 4106600 78.3502 -1.56247 27.1943 -0.625387 32.3325 -8.37458 32.1959 -11.3849 -63.0695 TIMING: 4106600 CPU: 11934.6, 0.00286823/step Wall: 11934.6, 0.00286824/step, 0.7118 hours remaining, 208.273438 MB of memory in use. ENERGY: 4106600 800.1035 2084.4387 1964.7853 120.2392 -205285.3388 17396.3123 0.0000 0.0000 34425.3964 -148494.0634 300.6455 -182919.4598 -148394.8007 300.0527 -210.2074 -186.1602 559463.2591 15.9620 15.8711 PRESSURE: 4106800 -72.231 89.8464 32.3658 89.8464 170.128 61.3729 32.3658 61.3732 -159.662 GPRESSURE: 4106800 -3.10856 55.7931 185.388 90.8395 214.929 36.1314 -78.502 33.057 -172.528 PRESSAVG: 4106800 20.6698 14.5751 22.4212 14.5752 56.9666 -37.6574 22.4212 -37.6574 -82.2114 GPRESSAVG: 4106800 19.3546 13.1438 25.2154 16.3205 56.8574 -38.8346 20.1344 -34.2061 -80.9658 TIMING: 4106800 CPU: 11935.1, 0.00289081/step Wall: 11935.1, 0.00289081/step, 0.717242 hours remaining, 208.273438 MB of memory in use. ENERGY: 4106800 695.6659 2070.1279 1946.0652 96.5133 -205491.3701 17593.6469 0.0000 0.0000 34518.3586 -148570.9922 301.4574 -183089.3508 -148476.7157 301.5616 -20.5883 13.0976 557966.5123 -1.5250 -1.5846 PRESSURE: 4107000 19.0861 60.7356 -15.2051 60.735 78.5865 -9.8186 -15.2049 -9.81827 -124.205 GPRESSURE: 4107000 62.1061 119.591 23.4157 105.79 127.118 -8.97615 13.3267 12.4669 -129.442 PRESSAVG: 4107000 41.7708 23.2012 -13.2192 23.2013 37.4701 -58.823 -13.2191 -58.8229 -24.9769 GPRESSAVG: 4107000 42.4892 25.8583 -14.784 21.0313 37.1405 -57.8206 -13.4945 -60.3772 -24.7593 TIMING: 4107000 CPU: 11935.7, 0.00290396/step Wall: 11935.7, 0.00290396/step, 0.720344 hours remaining, 208.273438 MB of memory in use. ENERGY: 4107000 727.0768 2090.5668 1965.1298 112.0059 -205577.3379 17647.9338 0.0000 0.0000 34472.5538 -148562.0710 301.0574 -183034.6249 -148464.1456 301.0398 -8.8440 19.9275 557809.6556 18.0880 18.2901 PRESSURE: 4107200 -128.86 -51.8671 128.69 -51.8681 -104.648 57.2534 128.69 57.2536 -78.2318 GPRESSURE: 4107200 -81.1622 -124.877 66.428 -26.9812 -28.8404 -3.0172 115.248 -1.66975 -104.768 PRESSAVG: 4107200 -38.1821 -63.2495 21.5458 -63.2495 -12.9593 -26.4453 21.5457 -26.4454 1.83268 GPRESSAVG: 4107200 -37.766 -64.0675 22.318 -62.7376 -12.0709 -28.3297 21.9918 -25.3064 0.989774 TIMING: 4107200 CPU: 11936.3, 0.00290562/step Wall: 11936.3, 0.00290562/step, 0.720593 hours remaining, 208.273438 MB of memory in use. ENERGY: 4107200 762.2686 2082.9582 1968.2596 122.4975 -205523.2772 17643.2178 0.0000 0.0000 34407.3432 -148536.7323 300.4879 -182944.0755 -148441.8564 300.9388 -103.9132 -71.5902 558731.0955 -16.4362 -16.2824 PRESSURE: 4107400 205.386 -82.8414 -2.24383 -82.8421 5.25903 194.495 -2.24192 194.494 58.5235 GPRESSURE: 4107400 224.474 -121.591 0.959763 -76.7323 1.40902 225.338 37.4781 159.05 134.241 PRESSAVG: 4107400 75.6945 10.2594 12.9334 10.2594 -65.6585 32.0582 12.9334 32.0583 -18.5897 GPRESSAVG: 4107400 74.536 9.4294 11.6643 11.3492 -64.9835 32.648 13.2885 29.5049 -18.4622 TIMING: 4107400 CPU: 11936.9, 0.00290581/step Wall: 11936.9, 0.00290581/step, 0.720479 hours remaining, 208.273438 MB of memory in use. ENERGY: 4107400 727.7837 2067.3395 1961.8806 109.7853 -205814.6887 17842.5351 0.0000 0.0000 34313.0867 -148792.2780 299.6647 -183105.3646 -148700.3313 300.7761 89.7229 120.0414 557603.7714 -2.8512 -2.9699 PRESSURE: 4107600 280.886 -50.3939 16.7065 -50.3943 258.827 -150.258 16.707 -150.259 -33.7182 GPRESSURE: 4107600 267.78 -94.9189 -8.63483 -45.0411 329.713 -205.795 108.558 -166.162 6.49613 PRESSAVG: 4107600 16.4505 -1.26551 26.019 -1.2654 10.0166 -12.9005 26.019 -12.9005 -11.0168 GPRESSAVG: 4107600 15.8278 -2.75776 25.8278 -1.38002 9.86634 -11.0086 26.8232 -12.0719 -10.3211 TIMING: 4107600 CPU: 11937.5, 0.00287877/step Wall: 11937.5, 0.00287877/step, 0.713616 hours remaining, 208.273438 MB of memory in use. ENERGY: 4107600 743.8462 2122.6104 1956.0800 113.8243 -205706.9633 17862.3881 0.0000 0.0000 34270.1520 -148638.0624 299.2898 -182908.2144 -148545.7863 301.0459 168.6651 201.3297 557901.9503 5.1501 5.1244 PRESSURE: 4107800 -14.8104 -55.9202 -133.209 -55.9209 -13.5169 -35.9426 -133.208 -35.9431 -132.529 GPRESSURE: 4107800 52.328 -16.4878 -107.44 -60.009 30.8565 -21.0542 -190.23 -20.6559 -145.654 PRESSAVG: 4107800 10.8317 51.7894 -30.5897 51.7894 17.1275 -7.54745 -30.5897 -7.54749 -55.1929 GPRESSAVG: 4107800 12.2298 54.7732 -29.895 52.3 17.6474 -6.40916 -33.5586 -9.07137 -57.0019 TIMING: 4107800 CPU: 11938, 0.00292017/step Wall: 11938, 0.00292017/step, 0.723716 hours remaining, 208.273438 MB of memory in use. ENERGY: 4107800 746.2563 2075.6191 1988.0844 99.2985 -205791.3269 17678.5223 0.0000 0.0000 34295.7942 -148907.7522 299.5137 -183203.5463 -148808.3258 299.9982 -53.6186 -20.8233 559341.5965 -9.0779 -9.0416 PRESSURE: 4108000 32.4011 -117.692 37.6652 -117.692 -212.569 13.0111 37.6668 13.011 -149.237 GPRESSURE: 4108000 76.1747 -76.6069 94.5535 -167.828 -154.726 3.8816 -55.0504 17.7926 -159.668 PRESSAVG: 4108000 20.4138 -30.738 39.2037 -30.738 47.9052 -27.3776 39.2037 -27.3775 -34.1262 GPRESSAVG: 4108000 20.1815 -32.0951 38.7845 -28.9897 47.7241 -29.9555 41.3642 -23.6372 -33.2406 TIMING: 4108000 CPU: 11938.6, 0.00290937/step Wall: 11938.6, 0.00290937/step, 0.720878 hours remaining, 208.273438 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: 4108000 762.5467 2101.0957 1956.9673 108.8989 -205496.9618 17530.9826 0.0000 0.0000 34198.7200 -148837.7505 298.6659 -183036.4705 -148747.9607 300.2168 -109.8018 -79.4067 559041.4717 11.3976 11.5550 PRESSURE: 4108200 -77.4287 -25.3038 50.3682 -25.3036 -50.5038 19.5106 50.3675 19.5099 -229.478 GPRESSURE: 4108200 -34.2424 -46.022 -40.3639 -49.1816 -35.4451 33.5376 65.6817 73.28 -190.683 PRESSAVG: 4108200 -3.07466 0.011826 34.4661 0.0118163 17.2164 -7.0471 34.4662 -7.04705 4.15051 GPRESSAVG: 4108200 -3.43324 -0.0606492 35.5351 -1.1812 17.9033 -6.27051 33.5004 -9.66358 4.12805 TIMING: 4108200 CPU: 11939.2, 0.00289007/step Wall: 11939.2, 0.00289007/step, 0.715935 hours remaining, 208.273438 MB of memory in use. ENERGY: 4108200 759.3048 2114.7701 1934.3028 109.1255 -206141.7458 17782.2360 0.0000 0.0000 34467.8957 -148974.1110 301.0167 -183442.0067 -148876.6598 299.6760 -119.1367 -86.7903 560647.4553 6.0974 6.1994 LDB: ============= START OF LOAD BALANCING ============== 11942.7 LDB: ============== END OF LOAD BALANCING =============== 11942.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11942.7 LDB: ============= START OF LOAD BALANCING ============== 11943 LDB: Largest compute 4848 load 0.026769 is 22.7% of average load 0.117823 LDB: Average compute 0.001737 is 1.5% of average load 0.117823 LDB: TIME 11943 LOAD: AVG 0.117823 MAX 0.181037 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 11943 LOAD: AVG 0.117823 MAX 0.181037 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: TIME 11943 LOAD: AVG 0.117823 MAX 0.181037 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11943 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11943 PRESSURE: 4108400 -145.529 23.0042 281.052 23.0034 177.008 -68.6845 281.052 -68.6833 -100.552 GPRESSURE: 4108400 -152.477 0.450903 242.223 24.4171 241.989 4.0681 222.13 18.7999 -62.3713 PRESSAVG: 4108400 -100.873 0.697774 37.1761 0.697801 38.6339 -21.7037 37.1761 -21.7038 55.2085 GPRESSAVG: 4108400 -101.208 1.63586 38.1078 0.858383 38.0574 -22.763 36.9963 -19.8928 56.1356 TIMING: 4108400 CPU: 11939.8, 0.00295964/step Wall: 11939.8, 0.00295964/step, 0.733005 hours remaining, 206.843750 MB of memory in use. ENERGY: 4108400 702.6408 2129.5544 1943.2386 118.8227 -206026.3118 17802.5141 0.0000 0.0000 34594.9844 -148734.5568 302.1266 -183329.5413 -148635.9866 300.1249 -23.0247 9.0468 558491.4885 -2.3436 -2.3384 PRESSURE: 4108600 25.4083 -62.0567 103.36 -62.0558 55.111 -72.7033 103.358 -72.7032 169.774 GPRESSURE: 4108600 33.7914 -80.6892 148.729 -23.4551 81.7658 -41.1895 47.9418 -162.011 218.906 PRESSAVG: 4108600 19.1078 49.746 8.50536 49.746 -22.0371 -28.0145 8.50538 -28.0145 -17.1512 GPRESSAVG: 4108600 18.859 48.6966 6.78313 47.5392 -22.8633 -26.2095 10.0822 -29.4723 -16.4049 TIMING: 4108600 CPU: 11940.4, 0.00289937/step Wall: 11940.4, 0.00289937/step, 0.717916 hours remaining, 207.046875 MB of memory in use. ENERGY: 4108600 735.7019 2128.8781 1953.2837 112.3118 -206147.5108 17927.9341 0.0000 0.0000 34502.6909 -148786.7103 301.3206 -183289.4012 -148686.9183 300.7586 83.4312 111.4877 557358.3280 -6.6935 -6.8031 PRESSURE: 4108800 -213.953 -91.3275 8.29816 -91.3267 -119.981 184.126 8.29835 184.127 -181.825 GPRESSURE: 4108800 -179.655 -53.7628 45.0903 -136.996 -118.308 73.8435 -75.653 214.142 -134.6 PRESSAVG: 4108800 19.0135 43.2779 11.8548 43.2778 -14.8808 -78.9469 11.8549 -78.9468 -3.49095 GPRESSAVG: 4108800 19.2481 43.3831 12.1434 43.7188 -14.3002 -80.9938 11.0899 -77.9647 -4.88072 TIMING: 4108800 CPU: 11940.9, 0.00290243/step Wall: 11940.9, 0.00290243/step, 0.718514 hours remaining, 207.046875 MB of memory in use. ENERGY: 4108800 729.0461 2119.5554 1971.4494 114.1960 -205735.9561 17544.4881 0.0000 0.0000 34324.4094 -148932.8118 299.7636 -183257.2212 -148834.2037 300.5478 -171.9194 -144.1876 558870.2814 0.2139 0.0224 PRESSURE: 4109000 -145.725 52.2722 -117.614 52.2709 -25.5063 101.437 -117.613 101.439 99.9658 GPRESSURE: 4109000 -97.3103 38.7968 -113.529 14.6919 10.7551 91.5922 -126.258 55.3898 93.9912 PRESSAVG: 4109000 -2.71317 3.33066 -30.2113 3.33059 -37.1211 -47.8181 -30.2112 -47.8181 81.0815 GPRESSAVG: 4109000 -2.73323 3.83616 -31.2736 5.00299 -38.091 -45.9368 -29.9715 -48.1947 81.4384 TIMING: 4109000 CPU: 11941.5, 0.00290135/step Wall: 11941.5, 0.00290135/step, 0.718084 hours remaining, 207.046875 MB of memory in use. ENERGY: 4109000 743.5392 2091.0592 1953.3536 106.8626 -205808.0834 17570.0196 0.0000 0.0000 34496.6156 -148846.6336 301.2675 -183343.2492 -148744.8026 300.4898 -23.7551 2.4787 557920.7078 13.7491 13.5381 PRESSURE: 4109200 106.533 37.6887 -13.3421 37.688 -305.657 -60.8223 -13.3414 -60.8237 -19.6125 GPRESSURE: 4109200 42.4381 80.9331 -76.931 34.3727 -239.357 -124.611 147.537 -31.0702 66.9775 PRESSAVG: 4109200 27.0314 -57.544 -3.33751 -57.544 -46.6983 6.84803 -3.33745 6.84807 6.63548 GPRESSAVG: 4109200 27.2841 -58.4874 -2.21867 -56.3791 -46.7357 3.89504 -3.49229 9.16428 6.8393 TIMING: 4109200 CPU: 11942.1, 0.00291775/step Wall: 11942.1, 0.00291775/step, 0.721982 hours remaining, 207.046875 MB of memory in use. ENERGY: 4109200 752.0265 2106.1340 1942.1733 109.3662 -205787.8329 17664.7751 0.0000 0.0000 34196.7812 -149016.5766 298.6490 -183213.3578 -148918.0075 300.1126 -72.9121 -43.3136 558668.4771 -4.3438 -4.2041 PRESSURE: 4109400 42.6189 -16.6945 -181.21 -16.6945 -209.464 -25.6037 -181.21 -25.6046 102.219 GPRESSURE: 4109400 51.2128 -85.7039 -193.23 -7.45289 -137.87 -9.30864 -147.13 -21.3357 105.928 PRESSAVG: 4109400 -18.8746 -92.5559 41.716 -92.556 -58.9402 -20.1021 41.716 -20.1021 82.9618 GPRESSAVG: 4109400 -19.1293 -92.6312 42.758 -92.8084 -57.3799 -18.1443 40.7748 -20.523 81.5049 TIMING: 4109400 CPU: 11942.7, 0.00293028/step Wall: 11942.7, 0.00293028/step, 0.724918 hours remaining, 207.046875 MB of memory in use. ENERGY: 4109400 750.9811 2056.6469 1976.2129 112.4909 -206053.0391 17952.6828 0.0000 0.0000 34189.5967 -149014.4279 298.5863 -183204.0246 -148916.1595 299.7968 -21.5421 6.4234 559943.3504 1.7156 1.6652 PRESSURE: 4109600 -141.952 -39.784 -100.051 -39.7846 -302.531 -37.8517 -100.051 -37.8513 -31.8726 GPRESSURE: 4109600 -126.134 -23.0403 -7.83656 -59.969 -242.367 44.3987 -137.667 -22.8326 -11.4178 PRESSAVG: 4109600 -9.37583 -35.0554 -5.32007 -35.0555 4.01294 -14.3458 -5.32008 -14.3459 19.7954 GPRESSAVG: 4109600 -9.11594 -34.8687 -5.99648 -35.958 1.79474 -14.3993 -4.82224 -14.6575 21.5592 TIMING: 4109600 CPU: 11943.3, 0.00293382/step Wall: 11943.3, 0.00293382/step, 0.725631 hours remaining, 207.046875 MB of memory in use. ENERGY: 4109600 734.4991 2078.7410 1969.8166 120.5085 -206025.2179 17771.6500 0.0000 0.0000 34147.5517 -149202.4510 298.2191 -183350.0028 -149104.2806 299.6900 -158.7853 -126.6395 559772.8994 4.8109 4.7460 PRESSURE: 4109800 -70.845 -54.7783 -90.6325 -54.7764 -111.303 -141.969 -90.6327 -141.968 90.0698 GPRESSURE: 4109800 -51.3175 -33.6534 -102.351 -53.7108 -46.5698 -148.771 -56.1474 -83.0726 105.269 PRESSAVG: 4109800 -51.6241 41.2333 -32.7112 41.2333 70.0381 -32.0629 -32.7112 -32.0629 23.9897 GPRESSAVG: 4109800 -51.3382 41.9292 -34.2151 39.6948 70.6699 -31.2695 -31.4255 -34.1388 23.4099 TIMING: 4109800 CPU: 11943.9, 0.00295095/step Wall: 11943.9, 0.00295095/step, 0.729704 hours remaining, 207.046875 MB of memory in use. ENERGY: 4109800 761.8689 2129.9100 1966.1466 117.8738 -206073.1216 17865.0195 0.0000 0.0000 34208.1288 -149024.1741 298.7481 -183232.3029 -148935.2504 299.7608 -30.6927 2.4605 559874.0424 14.1346 14.2472 PRESSURE: 4110000 -8.11597 165.819 156.841 165.819 -128.498 -142.014 156.841 -142.013 108.304 GPRESSURE: 4110000 51.8532 103.753 166.636 185.121 -69.1056 -110.989 192.039 -151.511 73.9988 PRESSAVG: 4110000 11.8993 -0.1857 -29.2188 -0.185674 -27.1242 10.3001 -29.2188 10.3001 24.0188 GPRESSAVG: 4110000 12.4633 -1.99691 -30.251 3.759 -27.0329 9.41198 -28.2247 10.7993 23.9733 TIMING: 4110000 CPU: 11944.5, 0.00291076/step Wall: 11944.5, 0.00291076/step, 0.719605 hours remaining, 207.046875 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: 4110000 754.4572 2073.3154 1952.6462 105.3942 -205959.9993 17809.4811 0.0000 0.0000 34381.9330 -148882.7722 300.2660 -183264.7052 -148784.0018 299.6697 -9.4367 18.9155 559733.9561 2.9313 3.1346 PRESSURE: 4110200 -93.7851 -26.1867 274.575 -26.1867 -215.226 157.355 274.574 157.355 24.7097 GPRESSURE: 4110200 -87.3824 -47.0825 199.196 -62.6156 -157.052 241.237 335.398 201.582 56.302 PRESSAVG: 4110200 -19.0296 47.7795 -21.5457 47.7795 31.1316 8.52546 -21.5457 8.52534 18.7099 GPRESSAVG: 4110200 -20.1585 48.5837 -18.1432 45.1515 32.212 8.97577 -24.3321 10.289 18.7639 TIMING: 4110200 CPU: 11945, 0.00290558/step Wall: 11945, 0.00290558/step, 0.718163 hours remaining, 207.046875 MB of memory in use. ENERGY: 4110200 754.6241 2120.2446 1960.2760 122.7754 -206370.6570 17916.5393 0.0000 0.0000 34556.3186 -148939.8789 301.7889 -183496.1975 -148845.9789 299.6524 -94.7673 -62.7108 558895.6269 10.2706 10.2725 PRESSURE: 4110400 -184.137 41.2301 25.6037 41.2313 324.113 74.0245 25.6038 74.0253 0.526388 GPRESSURE: 4110400 -124.746 58.1417 64.5546 35.12 283.93 108.84 36.3565 -65.1675 74.1363 PRESSAVG: 4110400 -19.9628 18.9312 18.2296 18.9311 89.1117 -18.8396 18.2296 -18.8396 -6.2701 GPRESSAVG: 4110400 -19.4438 19.128 17.2477 18.6031 88.5992 -19.3677 20.031 -18.9287 -6.15224 TIMING: 4110400 CPU: 11945.6, 0.00289794/step Wall: 11945.6, 0.00289794/step, 0.716113 hours remaining, 207.046875 MB of memory in use. ENERGY: 4110400 773.6288 2080.6333 1938.0567 108.7952 -206006.5494 17750.7381 0.0000 0.0000 34326.3233 -149028.3740 299.7803 -183354.6972 -148927.8952 299.8738 46.8341 77.7734 558089.2237 20.9596 21.0010 PRESSURE: 4110600 -27.8226 -100.519 73.8071 -100.519 205.444 37.4829 73.8073 37.4826 -54.8621 GPRESSURE: 4110600 -27.8345 28.6375 174.254 -242.878 224.387 11.6665 -23.7391 104.396 14.7497 PRESSAVG: 4110600 -37.1185 -20.8319 22.9574 -20.8321 27.2147 -60.5698 22.9574 -60.5697 5.69186 GPRESSAVG: 4110600 -36.522 -19.5939 22.268 -22.0173 26.9025 -61.0019 22.5383 -60.2209 5.46598 TIMING: 4110600 CPU: 11946.2, 0.00290186/step Wall: 11946.2, 0.00290186/step, 0.71692 hours remaining, 207.046875 MB of memory in use. ENERGY: 4110600 768.2606 2110.8508 1961.9843 128.3088 -206305.3214 17961.4884 0.0000 0.0000 34157.2026 -149217.2259 298.3033 -183374.4285 -149120.7297 299.2777 40.9198 70.4340 558350.8266 -1.4040 -1.3845 PRESSURE: 4110800 -72.4174 -221.653 82.7548 -221.653 -26.0638 -159.556 82.7544 -159.555 -101.398 GPRESSURE: 4110800 -48.9479 -257.703 58.2711 -197.777 -8.74693 -141.549 152.554 -82.1691 -56.1026 PRESSAVG: 4110800 4.22794 -81.1827 -9.01073 -81.1827 -9.81135 -59.703 -9.0108 -59.7031 11.335 GPRESSAVG: 4110800 2.90399 -83.8501 -9.52546 -79.5537 -9.05267 -59.0497 -9.30727 -60.0987 11.7217 TIMING: 4110800 CPU: 11946.8, 0.00293073/step Wall: 11946.8, 0.00293073/step, 0.723891 hours remaining, 207.046875 MB of memory in use. ENERGY: 4110800 751.3136 2159.4673 1958.2953 120.5306 -205885.0955 17690.5897 0.0000 0.0000 34090.0924 -149114.8066 297.7173 -183204.8989 -149023.4060 299.1501 -66.6264 -37.9325 557176.8679 1.9172 1.8577 PRESSURE: 4111000 34.5086 -94.7594 -78.2574 -94.7585 -214.342 83.9713 -78.2586 83.9726 -168.482 GPRESSURE: 4111000 35.9092 -42.3417 -58.1971 -149.372 -155.63 90.7714 -85.2231 192.695 -143.521 PRESSAVG: 4111000 -9.22568 -64.7327 -14.8012 -64.7327 -16.5986 12.0742 -14.8012 12.0741 23.1815 GPRESSAVG: 4111000 -8.43509 -63.0418 -13.3577 -65.4568 -17.9869 10.7795 -15.2379 13.9236 23.7837 TIMING: 4111000 CPU: 11947.4, 0.00290261/step Wall: 11947.4, 0.00290261/step, 0.716783 hours remaining, 207.046875 MB of memory in use. ENERGY: 4111000 758.6842 2144.6693 1936.0682 114.0459 -205838.5750 17585.2191 0.0000 0.0000 34139.9206 -149159.9677 298.1524 -183299.8883 -149058.1541 299.4518 -116.1051 -87.7475 556178.1304 -0.8809 -0.8794 PRESSURE: 4111200 -13.2685 -152.894 187.311 -152.894 -240.121 43.7097 187.31 43.7105 172.561 GPRESSURE: 4111200 64.9583 -67.6401 204.422 -114.785 -228.243 103.719 113.697 -33.3628 175.179 PRESSAVG: 4111200 -43.6186 -77.3846 -2.433 -77.3845 38.7465 10.408 -2.43297 10.4079 34.2429 GPRESSAVG: 4111200 -43.6111 -77.1365 -5.68025 -76.6254 40.1546 11.4863 -3.44914 7.69203 32.5907 TIMING: 4111200 CPU: 11947.9, 0.00290242/step Wall: 11947.9, 0.00290242/step, 0.716576 hours remaining, 207.046875 MB of memory in use. ENERGY: 4111200 740.5320 2134.3810 1939.4256 116.0031 -206392.1868 17889.0076 0.0000 0.0000 34411.2083 -149161.6292 300.5216 -183572.8375 -149064.2482 299.3047 -26.9426 3.9649 556770.4982 9.7903 9.7114 PRESSURE: 4111400 -174.242 -110.237 -9.73354 -110.237 62.3787 73.7481 -9.73364 73.7485 -51.9082 GPRESSURE: 4111400 -179.658 -105.819 36.3038 -111.315 119.006 92.9899 -27.9543 32.1653 -8.69581 PRESSAVG: 4111400 19.0616 -22.0358 10.3759 -22.0358 -16.7292 45.6546 10.3759 45.6547 19.7375 GPRESSAVG: 4111400 18.1136 -22.275 11.336 -23.7389 -17.9849 46.4491 12.2733 44.943 22.0996 TIMING: 4111400 CPU: 11948.5, 0.00290238/step Wall: 11948.5, 0.00290238/step, 0.716404 hours remaining, 207.046875 MB of memory in use. ENERGY: 4111400 759.4944 2140.6823 1948.8974 104.6305 -206166.4366 17853.4779 0.0000 0.0000 34285.8502 -149073.4039 299.4269 -183359.2541 -148974.5079 300.2174 -54.5904 -23.1157 557577.6990 7.3566 7.4094 PRESSURE: 4111600 241.882 115.157 -52.9567 115.158 182.389 40.8616 -52.9562 40.862 403.301 GPRESSURE: 4111600 304.333 142.091 -62.872 152.795 176.394 80.357 -64.5162 85.0358 434.387 PRESSAVG: 4111600 23.7115 10.4372 14.649 10.4373 -3.12208 13.7853 14.649 13.7853 -14.9723 GPRESSAVG: 4111600 25.4934 9.00631 13.8312 10.8981 -2.51797 15.4199 14.7514 13.433 -17.5054 TIMING: 4111600 CPU: 11949.1, 0.00291279/step Wall: 11949.1, 0.00291279/step, 0.718812 hours remaining, 207.046875 MB of memory in use. ENERGY: 4111600 723.6731 2099.5325 1976.9753 122.4665 -206464.0200 18038.9961 0.0000 0.0000 34433.9404 -149068.4360 300.7202 -183502.3764 -148965.8015 300.0801 275.8573 305.0380 556733.3112 1.8724 1.8233 PRESSURE: 4111800 317.487 32.1305 111.819 32.1316 112.886 -30.0745 111.82 -30.0763 -176.774 GPRESSURE: 4111800 381.512 78.0512 74.5479 -69.0635 151.884 -78.904 172.579 7.26045 -171.112 PRESSAVG: 4111800 38.0703 17.8915 -3.39195 17.8914 -52.3577 52.6017 -3.39188 52.6018 -11.9653 GPRESSAVG: 4111800 37.8217 20.6266 -0.665527 17.6467 -52.4202 49.7854 -4.01954 53.467 -10.8918 TIMING: 4111800 CPU: 11949.7, 0.00290922/step Wall: 11949.7, 0.00290922/step, 0.71777 hours remaining, 207.046875 MB of memory in use. ENERGY: 4111800 740.7744 2109.2879 2000.7047 112.9309 -206179.8832 17768.4145 0.0000 0.0000 34391.3406 -149056.4301 300.3481 -183447.7707 -148966.9066 300.0424 84.5333 120.7616 556716.9179 -8.7509 -8.4968 PRESSURE: 4112000 56.7044 52.1127 65.014 52.1119 -68.8072 7.60438 65.0146 7.60438 147.861 GPRESSURE: 4112000 106.564 -14.5262 99.9971 51.4377 -67.8101 -37.648 41.5911 42.4432 191.815 PRESSAVG: 4112000 38.3092 26.2325 67.8094 26.2324 14.684 7.90026 67.8093 7.90026 0.403374 GPRESSAVG: 4112000 38.6671 24.2633 66.1481 27.6652 14.7567 8.17661 67.2691 9.80407 0.460651 TIMING: 4112000 CPU: 11950.3, 0.00289185/step Wall: 11950.3, 0.00289185/step, 0.713322 hours remaining, 207.046875 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: 4112000 768.3543 2119.2084 1984.2541 100.6194 -206318.9594 18000.2551 0.0000 0.0000 34317.1762 -149029.0919 299.7004 -183346.2681 -148931.8607 299.8783 45.2526 76.8562 558169.7745 17.7989 17.9615 PRESSURE: 4112200 384.336 -47.3536 154.205 -47.3528 0.910893 145.301 154.204 145.3 6.47428 GPRESSURE: 4112200 376.567 -138.822 96.8626 -5.19329 31.3315 187.83 147.757 51.9538 60.2047 PRESSAVG: 4112200 27.3367 34.7203 10.4619 34.7202 -41.1522 62.7837 10.4619 62.7838 8.08698 GPRESSAVG: 4112200 26.7525 35.8525 8.22873 34.7991 -40.8968 60.6072 13.1229 61.898 7.81331 TIMING: 4112200 CPU: 11950.8, 0.00287977/step Wall: 11950.8, 0.00287978/step, 0.710185 hours remaining, 207.046875 MB of memory in use. ENERGY: 4112200 770.4457 2140.4789 1988.4165 109.5910 -206580.9959 18174.2052 0.0000 0.0000 34451.8606 -148945.9980 300.8767 -183397.8586 -148849.3621 299.6579 130.5738 156.0343 556656.7585 -1.9095 -2.1103 LDB: ============= START OF LOAD BALANCING ============== 11954.3 LDB: ============== END OF LOAD BALANCING =============== 11954.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11954.3 LDB: ============= START OF LOAD BALANCING ============== 11954.6 LDB: Largest compute 4848 load 0.026394 is 22.4% of average load 0.117839 LDB: Average compute 0.001738 is 1.5% of average load 0.117839 LDB: TIME 11954.6 LOAD: AVG 0.117839 MAX 0.178161 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.211 MB LDB: TIME 11954.6 LOAD: AVG 0.117839 MAX 0.178161 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.375 MB LDB: TIME 11954.6 LOAD: AVG 0.117839 MAX 0.178161 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11954.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11954.6 PRESSURE: 4112400 -250.141 -64.5834 54.7483 -64.5823 -241.623 227.42 54.7492 227.419 4.23838 GPRESSURE: 4112400 -223.508 113.093 44.3586 -107.004 -213.496 187.882 -8.87922 192.049 38.0112 PRESSAVG: 4112400 41.1265 18.3335 52.6699 18.3335 -51.7275 44.8702 52.6699 44.8702 13.3757 GPRESSAVG: 4112400 42.2091 18.6865 53.8372 16.4644 -53.1618 45.5492 51.3426 45.136 13.8934 TIMING: 4112400 CPU: 11951.4, 0.00292273/step Wall: 11951.4, 0.00292273/step, 0.720614 hours remaining, 207.867188 MB of memory in use. ENERGY: 4112400 742.1380 2109.2082 1958.6173 117.1174 -205852.5065 17718.0536 0.0000 0.0000 34210.4072 -148996.9648 298.7680 -183207.3720 -148900.6564 299.4663 -162.5086 -132.9976 557709.7022 0.9249 0.9802 PRESSURE: 4112600 251.436 39.0273 4.84428 39.0268 -152.571 -85.4564 4.84364 -85.4549 -136.016 GPRESSURE: 4112600 281.956 -7.18315 -38.3975 47.2752 -150.041 -29.4834 -38.5795 -77.3224 -77.4213 PRESSAVG: 4112600 -4.02243 -15.1522 20.1798 -15.1521 2.96167 11.5381 20.1799 11.538 -18.2442 GPRESSAVG: 4112600 -3.95106 -13.2048 21.4962 -15.144 3.32105 12.6233 19.5664 10.5143 -18.5006 TIMING: 4112600 CPU: 11952, 0.00286136/step Wall: 11952, 0.00286136/step, 0.705324 hours remaining, 208.332031 MB of memory in use. ENERGY: 4112600 747.7918 2050.9060 1983.1893 108.6596 -205768.6017 17659.6270 0.0000 0.0000 34304.7380 -148913.6899 299.5918 -183218.4279 -148823.3234 299.6431 -12.3834 18.1648 557124.6546 -6.4350 -6.3769 PRESSURE: 4112800 -75.2389 -5.9097 -223.579 -5.91015 -106.684 -174.643 -223.578 -174.642 68.2079 GPRESSURE: 4112800 -70.6087 20.4637 -133.077 44.4709 -124.86 -172.498 -270.426 -125.276 177.591 PRESSAVG: 4112800 34.5439 12.3775 -43.7419 12.3774 0.128462 -36.1852 -43.7418 -36.1851 4.91293 GPRESSAVG: 4112800 32.8452 10.8276 -42.9342 12.3908 0.737491 -36.6952 -43.8006 -37.5397 5.868 TIMING: 4112800 CPU: 11952.6, 0.00287241/step Wall: 11952.6, 0.00287241/step, 0.707889 hours remaining, 208.332031 MB of memory in use. ENERGY: 4112800 760.1494 2055.6189 1987.6315 105.1618 -205745.3478 17473.1103 0.0000 0.0000 34558.3765 -148805.2996 301.8069 -183363.6760 -148717.5299 300.4109 -37.9049 -5.9591 557385.8354 13.1951 13.1502 PRESSURE: 4113000 193.093 -32.5544 -32.1298 -32.5556 -35.6205 -95.4653 -32.1287 -95.4657 -209.803 GPRESSURE: 4113000 230.802 -24.4855 -34.5576 4.48863 3.57634 -172.003 -39.8806 -33.4667 -194.774 PRESSAVG: 4113000 -46.1785 -21.7626 -35.3136 -21.7625 76.2806 -46.2263 -35.3137 -46.2263 -30.339 GPRESSAVG: 4113000 -45.8084 -20.8295 -37.9164 -20.3259 77.3457 -46.5378 -34.3706 -46.7318 -31.9518 TIMING: 4113000 CPU: 11953.1, 0.00286518/step Wall: 11953.1, 0.00286518/step, 0.705949 hours remaining, 208.332031 MB of memory in use. ENERGY: 4113000 704.6328 2117.0829 2000.3886 122.6701 -206001.3711 17664.3658 0.0000 0.0000 34429.9479 -148962.2829 300.6853 -183392.2308 -148870.0922 300.4738 -17.4435 13.2013 556262.1828 -0.0790 -0.1382 PRESSURE: 4113200 35.0941 143.407 -167.563 143.407 -53.3344 88.5113 -167.561 88.5112 126.945 GPRESSURE: 4113200 10.4471 133.894 -259.272 123.734 -11.1968 140.466 -66.1917 104.789 205.733 PRESSAVG: 4113200 -53.4739 18.1804 31.6736 18.1804 32.366 -39.7051 31.6736 -39.7051 27.1802 GPRESSAVG: 4113200 -54.0975 16.6765 33.1499 18.5048 31.3974 -41.2263 30.444 -38.3945 28.6972 TIMING: 4113200 CPU: 11953.7, 0.00287224/step Wall: 11953.7, 0.00287224/step, 0.707528 hours remaining, 208.332031 MB of memory in use. ENERGY: 4113200 729.2237 2129.9930 1986.9554 112.2546 -206047.8316 17802.4641 0.0000 0.0000 34121.8186 -149165.1223 297.9943 -183286.9409 -149064.1247 299.7175 36.2348 68.3278 556747.9516 2.0241 1.9990 PRESSURE: 4113400 -206.115 46.3045 96.7211 46.3055 -54.0749 -0.993131 96.721 -0.992633 -234.723 GPRESSURE: 4113400 -164.109 34.6415 35.6827 25.4325 -53.8055 -26.8521 12.9798 -18.2502 -182.484 PRESSAVG: 4113400 11.8255 4.86634 14.7695 4.86641 18.9769 15.2803 14.7695 15.2803 -39.2253 GPRESSAVG: 4113400 12.5851 4.06787 13.1546 7.49685 19.2203 17.9058 15.4855 15.0492 -39.8945 TIMING: 4113400 CPU: 11954.3, 0.0028693/step Wall: 11954.3, 0.0028693/step, 0.706644 hours remaining, 208.332031 MB of memory in use. ENERGY: 4113400 767.0239 2103.9863 1945.3304 107.9938 -205938.8360 17622.3922 0.0000 0.0000 34118.9938 -149273.1155 297.9697 -183392.1093 -149176.1818 299.2340 -164.9710 -133.4660 558278.9061 -2.8076 -2.6964 PRESSURE: 4113600 -24.1188 -18.4969 -30.6846 -18.4966 -16.378 -73.563 -30.6868 -73.5636 73.1843 GPRESSURE: 4113600 8.90587 -94.5271 -94.5958 -2.66348 4.1534 -99.0498 37.3316 -105.176 106.779 PRESSAVG: 4113600 -56.0221 -30.6536 8.54981 -30.6536 -15.4589 -36.3745 8.54981 -36.3745 36.4079 GPRESSAVG: 4113600 -55.7679 -30.122 9.88045 -34.0393 -15.2656 -34.7824 9.05454 -35.5198 35.6689 TIMING: 4113600 CPU: 11954.9, 0.00287449/step Wall: 11954.9, 0.00287449/step, 0.707764 hours remaining, 208.332031 MB of memory in use. ENERGY: 4113600 765.1502 2082.1446 1992.9337 117.1642 -206375.7730 18082.8223 0.0000 0.0000 34231.3614 -149104.1966 298.9510 -183335.5580 -149011.0212 298.7557 10.8958 39.9462 558097.7426 -11.6911 -11.7882 PRESSURE: 4113800 224.158 35.3323 -184.502 35.3323 -186.11 -91.6837 -184.501 -91.683 -249.12 GPRESSURE: 4113800 223.227 116.66 -252.822 57.4083 -124.864 -10.1886 -185.057 -109.213 -212.919 PRESSAVG: 4113800 100.938 -49.7709 -48.3109 -49.7709 -51.2962 0.20636 -48.3108 0.206337 -22.0977 GPRESSAVG: 4113800 100.394 -50.3671 -48.2364 -46.1 -50.596 0.0172171 -49.2486 -0.0034601 -21.7102 TIMING: 4113800 CPU: 11955.5, 0.00289734/step Wall: 11955.5, 0.00289734/step, 0.713229 hours remaining, 208.332031 MB of memory in use. ENERGY: 4113800 741.8061 2120.6776 1977.1838 115.2673 -205766.0926 17547.7342 0.0000 0.0000 34322.5440 -148940.8795 299.7473 -183263.4236 -148838.4556 299.3076 -70.3574 -38.1856 557179.2726 9.1815 9.3625 PRESSURE: 4114000 172.739 -22.7996 29.8036 -22.8 136.212 172.386 29.8031 172.385 131.324 GPRESSURE: 4114000 188.751 65.0182 58.3587 -52.0218 158.108 163.112 37.9546 142.846 193.425 PRESSAVG: 4114000 33.5566 -16.5984 -1.97677 -16.5983 -29.4697 -20.0785 -1.97676 -20.0785 12.2958 GPRESSAVG: 4114000 34.2838 -14.1936 -1.68646 -19.0537 -30.7421 -22.5383 -1.93368 -19.3722 13.1295 TIMING: 4114000 CPU: 11956, 0.00290212/step Wall: 11956, 0.00290212/step, 0.714245 hours remaining, 208.332031 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: 4114000 690.3391 2090.4742 1986.2201 109.5258 -205853.8565 17674.2314 0.0000 0.0000 34542.9820 -148760.0841 301.6725 -183303.0661 -148658.7223 299.6548 146.7585 180.0947 556736.9979 5.4609 5.5571 PRESSURE: 4114200 -154.16 -68.6939 -135.786 -68.6941 -279.27 -10.6816 -135.788 -10.6818 -71.1617 GPRESSURE: 4114200 -142.283 39.1224 -124.551 -97.0575 -180.38 18.7486 -141.029 6.59966 -68.1712 PRESSAVG: 4114200 -51.6705 8.40956 -25.4928 8.40947 -12.4864 -29.8911 -25.4929 -29.891 63.7293 GPRESSAVG: 4114200 -51.5395 6.13292 -26.3778 7.64808 -11.535 -28.5561 -24.0095 -29.6836 62.6656 TIMING: 4114200 CPU: 11956.6, 0.00290163/step Wall: 11956.6, 0.00290163/step, 0.713963 hours remaining, 208.332031 MB of memory in use. ENERGY: 4114200 766.3571 2113.8140 1953.4297 120.4644 -205537.4876 17389.1645 0.0000 0.0000 34349.3401 -148844.9177 299.9813 -183194.2578 -148743.6109 300.9465 -168.1972 -130.2779 557293.0631 -0.1425 -0.1363 PRESSURE: 4114400 -305.45 -3.30606 103.313 -3.30603 -110.589 -50.9565 103.312 -50.9562 7.28056 GPRESSURE: 4114400 -266.432 3.84033 97.9162 -1.04753 -103.649 -42.6891 -18.4911 11.9435 62.8986 PRESSAVG: 4114400 -33.8306 -9.96706 -13.5859 -9.96706 16.2757 57.8605 -13.5859 57.8604 59.9391 GPRESSAVG: 4114400 -32.879 -8.83562 -12.6747 -9.80762 14.353 57.4886 -15.3631 59.4009 60.5839 TIMING: 4114400 CPU: 11957.2, 0.00288279/step Wall: 11957.2, 0.00288279/step, 0.709166 hours remaining, 208.332031 MB of memory in use. ENERGY: 4114400 753.2498 2140.1964 1940.2720 127.5062 -205984.7216 17631.6031 0.0000 0.0000 34550.9407 -148840.9535 301.7420 -183391.8942 -148749.3444 300.2715 -136.2528 -102.3941 558433.2321 14.1281 14.0193 PRESSURE: 4114600 -257.085 120.261 -131.682 120.26 -339.588 -53.0211 -131.683 -53.0223 -128.096 GPRESSURE: 4114600 -236.293 176.755 -113.312 101.42 -309.995 -93.7239 -154.796 26.163 -76.7953 PRESSAVG: 4114600 34.0279 32.8456 43.1463 32.8456 -72.0913 -4.49007 43.1464 -4.49021 36.2387 GPRESSAVG: 4114600 34.1582 31.7766 43.1489 33.7092 -71.853 -4.15197 44.8441 -4.83085 35.5315 TIMING: 4114600 CPU: 11957.8, 0.00289015/step Wall: 11957.8, 0.00289015/step, 0.710816 hours remaining, 208.332031 MB of memory in use. ENERGY: 4114600 745.4499 2093.8255 1974.1600 124.1554 -205397.5309 17345.4722 0.0000 0.0000 34140.7206 -148973.7472 298.1594 -183114.4678 -148882.3187 299.6266 -241.5897 -207.6946 558331.1808 -0.6083 -0.7211 PRESSURE: 4114800 199.008 17.7537 -158.24 17.7536 38.0627 -174.123 -158.239 -174.122 0.207053 GPRESSURE: 4114800 248.608 34.8455 -147.82 87.352 77.0262 -177.844 -159.856 -162.22 13.1893 PRESSAVG: 4114800 -14.994 15.9788 19.398 15.9789 12.8298 -54.8962 19.3981 -54.8962 14.9468 GPRESSAVG: 4114800 -15.3421 18.1548 19.4409 14.2661 13.3809 -55.1657 17.3569 -54.7779 14.4672 TIMING: 4114800 CPU: 11958.3, 0.00289459/step Wall: 11958.3, 0.00289459/step, 0.711748 hours remaining, 208.332031 MB of memory in use. ENERGY: 4114800 732.6994 2130.4441 1953.5991 96.9008 -206091.7593 18034.4172 0.0000 0.0000 34282.1012 -148861.5975 299.3941 -183143.6987 -148762.6166 299.8766 79.0925 112.9410 558327.7565 4.2609 4.1687 PRESSURE: 4115000 -252.122 -7.07678 19.3212 -7.07717 -390.402 -111.778 19.321 -111.779 -284.291 GPRESSURE: 4115000 -249.842 12.4819 -17.9406 -84.5287 -355.626 -123.542 -14.0604 -75.4674 -227.775 PRESSAVG: 4115000 -37.2271 -18.7817 -32.3798 -18.7816 -5.76226 -30.3508 -32.3798 -30.3509 33.6411 GPRESSAVG: 4115000 -37.7413 -18.9598 -31.304 -18.2694 -6.0284 -29.577 -33.8529 -30.4687 34.0325 TIMING: 4115000 CPU: 11958.9, 0.00289599/step Wall: 11958.9, 0.00289599/step, 0.711931 hours remaining, 208.332031 MB of memory in use. ENERGY: 4115000 758.7779 2063.7944 1925.9050 107.0518 -205498.0801 17448.3819 0.0000 0.0000 34361.4428 -148832.7263 300.0870 -183194.1691 -148735.3583 300.2275 -308.9385 -277.7478 561149.2512 -3.1161 -3.2457 PRESSURE: 4115200 -89.4801 86.6797 -21.4337 86.6781 27.7778 79.9574 -21.4348 79.9566 -194.766 GPRESSURE: 4115200 -53.9972 92.5026 -37.0246 80.8154 72.9855 37.9398 47.9339 42.87 -189.809 PRESSAVG: 4115200 -17.2456 -31.2783 -39.84 -31.2783 25.2971 -62.553 -39.84 -62.553 -55.9707 GPRESSAVG: 4115200 -16.5544 -33.0439 -39.9173 -31.5956 24.4985 -63.1274 -39.1334 -64.0177 -55.7889 TIMING: 4115200 CPU: 11959.5, 0.00289014/step Wall: 11959.5, 0.00289014/step, 0.710333 hours remaining, 208.332031 MB of memory in use. ENERGY: 4115200 735.6132 2101.8042 1932.9140 109.8039 -205781.8987 17740.4952 0.0000 0.0000 34272.5978 -148888.6703 299.3111 -183161.2681 -148789.6892 300.4242 -85.4895 -56.9403 560026.6613 -15.9731 -15.9483 PRESSURE: 4115400 -153.045 49.4305 55.1281 49.4297 -150.81 -30.1687 55.1299 -30.1688 77.8857 GPRESSURE: 4115400 -104.236 62.233 66.2442 62.6862 -119.52 -25.7955 -37.8683 -73.2936 100.204 PRESSAVG: 4115400 57.1881 51.0805 -88.4161 51.0806 -19.5272 -24.3342 -88.4161 -24.3342 -59.4502 GPRESSAVG: 4115400 56.1098 50.881 -92.0813 52.3588 -19.6356 -22.6371 -87.377 -24.8342 -58.3 TIMING: 4115400 CPU: 11960.1, 0.00289823/step Wall: 11960.1, 0.00289823/step, 0.712159 hours remaining, 208.332031 MB of memory in use. ENERGY: 4115400 726.3538 2065.5082 1940.2807 121.5379 -205995.6828 17734.5001 0.0000 0.0000 34349.2569 -149058.2453 299.9806 -183407.5022 -148963.1863 299.8452 -75.3230 -41.1839 559658.0950 -7.2631 -7.2753 PRESSURE: 4115600 -42.0423 103.997 82.4348 103.997 -0.796416 50.2958 82.4325 50.2971 15.0815 GPRESSURE: 4115600 -62.8091 91.5114 114.029 104.378 67.801 4.69281 8.80148 102.587 67.1602 PRESSAVG: 4115600 0.760138 36.5188 7.27608 36.5189 34.3695 -10.5361 7.27617 -10.536 -36.8287 GPRESSAVG: 4115600 0.572417 37.9411 11.1915 35.9731 35.834 -11.8737 8.8755 -10.322 -37.4012 TIMING: 4115600 CPU: 11960.7, 0.00288475/step Wall: 11960.7, 0.00288475/step, 0.708687 hours remaining, 208.332031 MB of memory in use. ENERGY: 4115600 772.9484 2072.3457 1945.6037 114.9923 -206297.4447 17881.7492 0.0000 0.0000 34364.8828 -149144.9225 300.1171 -183509.8053 -149052.5110 299.4720 -9.2524 24.0507 555731.4209 -0.5664 -0.3316 PRESSURE: 4115800 -380.983 -61.4064 10.201 -61.4052 -267.212 -16.3973 10.1998 -16.397 -130.266 GPRESSURE: 4115800 -353.325 -63.2992 19.9231 -94.871 -220.242 -9.97811 -0.502844 53.2538 -101.68 PRESSAVG: 4115800 -2.54759 25.4647 -25.5235 25.4646 2.45248 -12.3542 -25.5236 -12.3541 -9.7446 GPRESSAVG: 4115800 -2.33612 26.4721 -26.8146 26.4517 1.85689 -11.9839 -27.0566 -10.7596 -9.65965 TIMING: 4115800 CPU: 11961.2, 0.00288513/step Wall: 11961.2, 0.00288513/step, 0.70862 hours remaining, 208.566406 MB of memory in use. ENERGY: 4115800 776.7917 2093.0031 1932.4684 113.3931 -205761.5191 17214.5235 0.0000 0.0000 34425.7198 -149205.6195 300.6484 -183631.3393 -149109.6775 300.2803 -259.4869 -225.0823 556987.8128 -3.2799 -3.3796 PRESSURE: 4116000 258.435 145.82 15.9307 145.819 -33.1735 -23.3388 15.9298 -23.3384 -203.318 GPRESSURE: 4116000 281.458 158.513 26.0589 97.9335 27.6847 15.0485 -32.7579 -67.2108 -211.881 PRESSAVG: 4116000 -0.61411 -46.8983 33.5899 -46.8984 62.0018 28.7996 33.59 28.7997 -63.6101 GPRESSAVG: 4116000 -0.500787 -48.3989 34.5915 -47.2856 61.5163 28.4447 33.4467 29.3237 -63.4651 TIMING: 4116000 CPU: 11961.8, 0.00290664/step Wall: 11961.8, 0.00290664/step, 0.713741 hours remaining, 208.566406 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: 4116000 781.6339 2141.8578 1918.0289 104.4706 -206081.2117 17729.2186 0.0000 0.0000 34354.5416 -149051.4603 300.0268 -183406.0018 -148954.5764 299.7097 7.3144 32.4206 556544.1483 -0.7408 -0.8165 PRESSURE: 4116200 -293.969 71.6213 30.92 71.6224 185.544 -77.4718 30.9205 -77.4741 21.5717 GPRESSURE: 4116200 -252.756 74.1804 98.6744 17.8247 186.584 -162.909 33.7272 -80.8243 66.2521 PRESSAVG: 4116200 45.716 -17.3071 2.94817 -17.3071 -10.8484 3.27201 2.948 3.27189 -20.2887 GPRESSAVG: 4116200 45.9544 -17.6051 2.58158 -17.647 -11.3759 5.27582 3.13517 0.457216 -20.3213 TIMING: 4116200 CPU: 11962.4, 0.00289038/step Wall: 11962.4, 0.00289038/step, 0.709588 hours remaining, 208.566406 MB of memory in use. ENERGY: 4116200 747.7420 2159.3388 1977.7367 119.8963 -206128.8788 17846.6117 0.0000 0.0000 34174.1758 -149103.3777 298.4516 -183277.5534 -149005.7995 300.1184 -28.9511 0.0266 558175.8412 4.8597 4.7524 LDB: ============= START OF LOAD BALANCING ============== 11965.9 LDB: ============== END OF LOAD BALANCING =============== 11965.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11965.9 LDB: ============= START OF LOAD BALANCING ============== 11966.2 LDB: Largest compute 4848 load 0.025963 is 22.0% of average load 0.117780 LDB: Average compute 0.001738 is 1.5% of average load 0.117780 LDB: TIME 11966.2 LOAD: AVG 0.11778 MAX 0.180527 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.867 MB LDB: TIME 11966.2 LOAD: AVG 0.11778 MAX 0.180527 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: TIME 11966.2 LOAD: AVG 0.11778 MAX 0.180527 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11966.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11966.2 PRESSURE: 4116400 -20.1194 -144.448 21.5282 -144.448 46.0994 113.891 21.529 113.892 52.5672 GPRESSURE: 4116400 29.7174 -215.662 11.8219 -180.034 90.5753 38.1541 76.2504 127.536 56.1188 PRESSAVG: 4116400 -12.2468 4.40016 -5.75059 4.40003 -79.7363 76.9531 -5.75056 76.953 82.0631 GPRESSAVG: 4116400 -14.1442 2.79923 -5.3193 6.96445 -78.8816 76.0271 -4.94332 77.6858 83.2014 TIMING: 4116400 CPU: 11963, 0.00295545/step Wall: 11963, 0.00295545/step, 0.725399 hours remaining, 207.613281 MB of memory in use. ENERGY: 4116400 716.9250 2072.2050 1955.1525 120.7463 -206130.2458 17780.6566 0.0000 0.0000 34381.0169 -149103.5435 300.2580 -183484.5604 -149002.3973 299.8479 26.1824 58.8039 558084.7640 -3.3067 -3.2748 PRESSURE: 4116600 -214.278 195.687 -77.7682 195.686 -193.307 -28.86 -77.7684 -28.8598 -7.63636 GPRESSURE: 4116600 -170.403 132.176 -111.219 206.025 -148.863 10.9559 -44.3823 -139.561 4.73773 PRESSAVG: 4116600 -50.6003 9.53645 25.7043 9.5365 -2.29172 15.7349 25.7043 15.7348 59.3901 GPRESSAVG: 4116600 -49.9791 10.7457 25.0994 5.71133 -1.36996 16.4626 25.5778 18.3534 57.8502 TIMING: 4116600 CPU: 11963.6, 0.00293526/step Wall: 11963.6, 0.00293526/step, 0.720281 hours remaining, 207.683594 MB of memory in use. ENERGY: 4116600 784.8327 2145.7160 1957.7966 116.8862 -205889.7160 17538.6733 0.0000 0.0000 34299.7417 -149046.0695 299.5482 -183345.8112 -148945.5204 299.4114 -138.4068 -104.8428 557036.2308 2.1660 2.1671 PRESSURE: 4116800 273.183 157.757 200.778 157.757 310.179 -70.7163 200.779 -70.7162 209.974 GPRESSURE: 4116800 312.762 154.42 167.071 134.253 340.757 -79.1342 157.938 -32.4779 239.237 PRESSAVG: 4116800 71.3764 25.0806 17.1544 25.0805 -17.8281 23.1862 17.1543 23.1862 -25.2534 GPRESSAVG: 4116800 72.4615 25.8408 16.382 24.4155 -18.3628 21.7282 16.6935 21.9269 -26.1034 TIMING: 4116800 CPU: 11964.2, 0.00292056/step Wall: 11964.2, 0.00292056/step, 0.716512 hours remaining, 207.683594 MB of memory in use. ENERGY: 4116800 741.0710 2107.2442 1955.4124 109.2494 -206274.3734 18094.3226 0.0000 0.0000 34231.1381 -149035.9356 298.9490 -183267.0738 -148939.7343 299.7218 264.4453 297.5853 558284.1644 9.4316 9.3318 PRESSURE: 4117000 111.501 69.999 -27.4672 69.9984 -174.686 32.1261 -27.4668 32.1231 -96.3635 GPRESSURE: 4117000 103.442 107.252 40.9935 80.1083 -160.396 41.4052 -46.4651 58.9614 -20.5515 PRESSAVG: 4117000 -11.5245 -36.849 47.5106 -36.8492 -35.8712 -35.0445 47.5107 -35.0445 7.10508 GPRESSAVG: 4117000 -13.4476 -38.9555 50.3847 -33.9595 -35.5019 -34.4224 48.0007 -35.2884 8.14296 TIMING: 4117000 CPU: 11964.7, 0.00289152/step Wall: 11964.7, 0.00289152/step, 0.709227 hours remaining, 207.683594 MB of memory in use. ENERGY: 4117000 734.7647 2129.7865 1973.2566 102.3705 -206166.4463 17822.8144 0.0000 0.0000 34256.9451 -149146.5086 299.1744 -183403.4536 -149045.9298 299.4628 -53.1831 -25.8353 560130.2341 -13.4302 -13.6022 PRESSURE: 4117200 -272.129 -29.5012 -10.0899 -29.5021 155.737 18.2158 -10.0895 18.2145 -11.4854 GPRESSURE: 4117200 -209.785 -10.9054 -29.0882 8.90182 202.937 30.4362 71.1076 32.7074 -22.6806 PRESSAVG: 4117200 -49.6419 -12.2414 -61.2706 -12.2415 5.7683 37.5536 -61.2706 37.5534 27.1292 GPRESSAVG: 4117200 -48.6974 -10.8746 -64.7177 -14.9997 5.58194 37.8663 -61.7625 36.1242 25.7047 TIMING: 4117200 CPU: 11965.3, 0.00290329/step Wall: 11965.3, 0.00290329/step, 0.711952 hours remaining, 207.683594 MB of memory in use. ENERGY: 4117200 779.2064 2116.5005 1945.4679 115.8310 -206078.2217 17835.2945 0.0000 0.0000 34275.8024 -149010.1190 299.3391 -183285.9214 -148915.4653 299.1436 -42.6258 -9.8427 558614.1530 -5.5815 -5.8036 PRESSURE: 4117400 -80.1329 -59.2703 -3.72758 -59.2714 -259.603 106.727 -3.72708 106.727 26.6058 GPRESSURE: 4117400 -64.728 -84.2417 1.49562 -53.5686 -210.932 50.9377 -5.61766 177.426 66.9725 PRESSAVG: 4117400 30.692 14.8723 -12.2914 14.8723 -7.60235 -27.6939 -12.2913 -27.6939 -11.4288 GPRESSAVG: 4117400 31.3755 13.8516 -10.8062 17.5713 -8.56863 -28.5952 -12.9771 -26.142 -10.9666 TIMING: 4117400 CPU: 11965.9, 0.00287031/step Wall: 11965.9, 0.00287031/step, 0.703703 hours remaining, 207.683594 MB of memory in use. ENERGY: 4117400 740.9534 2102.9662 1958.6932 129.1734 -206180.3228 17844.4192 0.0000 0.0000 34227.0932 -149177.0243 298.9137 -183404.1175 -149080.1231 299.5651 -104.3767 -69.5626 558289.1177 3.8870 3.9467 PRESSURE: 4117600 17.1171 -100.685 203.066 -100.687 452.888 31.4956 203.065 31.4948 388.838 GPRESSURE: 4117600 51.0454 -89.5871 172.82 -93.4967 397.623 54.8612 204.026 -38.5817 499.103 PRESSAVG: 4117600 -23.5003 -9.86917 15.4644 -9.86915 14.1453 29.131 15.4642 29.1309 18.0759 GPRESSAVG: 4117600 -22.8293 -9.3094 16.2848 -12.0552 14.5175 30.1634 15.3141 28.7982 17.5764 TIMING: 4117600 CPU: 11966.5, 0.00289264/step Wall: 11966.5, 0.00289264/step, 0.709018 hours remaining, 207.683594 MB of memory in use. ENERGY: 4117600 722.0846 2195.2099 1931.7579 111.6688 -206508.8113 18171.3739 0.0000 0.0000 34219.3634 -149157.3528 298.8462 -183376.7162 -149063.0258 299.1741 286.2811 315.9236 556211.3960 2.9070 3.0882 PRESSURE: 4117800 5.70966 -10.0924 -29.6559 -10.0923 -17.6737 2.00929 -29.6572 2.00872 -17.6568 GPRESSURE: 4117800 43.7956 24.7108 41.9225 -15.1101 -3.24702 -3.11818 -63.8502 -50.9004 12.8551 PRESSAVG: 4117800 21.6931 -76.1684 11.3369 -76.1685 14.3201 27.4386 11.3369 27.4386 -35.8998 GPRESSAVG: 4117800 21.9673 -75.1982 12.6678 -75.6433 12.7273 28.0015 11.1087 26.9491 -34.8128 TIMING: 4117800 CPU: 11967, 0.00288623/step Wall: 11967, 0.00288623/step, 0.707287 hours remaining, 207.683594 MB of memory in use. ENERGY: 4117800 773.4463 2057.5474 1972.7872 115.6480 -206162.6146 17764.5784 0.0000 0.0000 34207.2801 -149271.3271 298.7407 -183478.6072 -149170.4875 299.1839 -9.8736 17.8012 557207.5818 0.0378 -0.0394 PRESSURE: 4118000 -42.3173 -42.574 51.5255 -42.5734 42.8856 -103.063 51.5253 -103.061 -93.3807 GPRESSURE: 4118000 37.081 -85.1547 116.811 -64.9595 36.8375 -90.0746 64.7081 -126.015 -75.5771 PRESSAVG: 4118000 -3.23402 7.9713 -20.6199 7.97124 25.2346 35.4802 -20.6199 35.4801 -14.5222 GPRESSAVG: 4118000 -3.76329 8.22349 -21.9449 7.68979 26.1271 33.4546 -19.5012 36.8324 -14.2551 TIMING: 4118000 CPU: 11967.6, 0.00290481/step Wall: 11967.6, 0.00290481/step, 0.711678 hours remaining, 207.683594 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: 4118000 779.3973 2049.3704 1958.7983 99.2658 -206481.0560 17891.7328 0.0000 0.0000 34522.2436 -149180.2479 301.4913 -183702.4915 -149082.1839 299.6155 -30.9375 -0.5529 557719.8057 2.4928 2.7029 PRESSURE: 4118200 46.4025 -148.461 -8.36935 -148.461 237.376 -105.638 -8.36841 -105.638 54.1317 GPRESSURE: 4118200 66.7787 -172.779 -28.6809 -108.723 231.343 -153.998 10.1604 -64.8124 118.757 PRESSAVG: 4118200 -25.9721 -47.3898 78.236 -47.3899 -3.51324 14.129 78.236 14.1289 45.5902 GPRESSAVG: 4118200 -25.3945 -48.1759 80.1849 -44.9446 -2.90369 14.6956 76.6566 13.6715 44.5489 TIMING: 4118200 CPU: 11968.2, 0.00290601/step Wall: 11968.2, 0.00290601/step, 0.71181 hours remaining, 207.683594 MB of memory in use. ENERGY: 4118200 767.6870 2151.8878 1942.8036 97.1916 -206305.4674 18029.5846 0.0000 0.0000 34160.9942 -149155.3187 298.3365 -183316.3129 -149059.0268 299.5641 112.6368 138.9596 557902.8041 5.3683 5.4169 PRESSURE: 4118400 -47.1508 -97.8443 40.9177 -97.8432 97.3785 -7.69981 40.9163 -7.7017 -5.1884 GPRESSURE: 4118400 12.1247 -43.1835 -30.3693 -135.037 139.467 74.3245 93.4434 59.6409 -6.46555 PRESSAVG: 4118400 -12.5274 -46.0582 -22.5128 -46.0581 31.4228 42.3348 -22.5128 42.3347 -18.586 GPRESSAVG: 4118400 -13.0012 -44.6445 -24.7943 -46.8621 30.9721 41.1935 -20.5106 42.7134 -17.8544 TIMING: 4118400 CPU: 11968.8, 0.00288506/step Wall: 11968.8, 0.00288506/step, 0.706518 hours remaining, 207.683594 MB of memory in use. ENERGY: 4118400 699.6148 2158.6921 1939.6361 102.0305 -206191.0354 17877.8576 0.0000 0.0000 34257.3822 -149155.8222 299.1782 -183413.2044 -149059.1643 299.1690 15.0131 48.3755 558649.8159 0.1031 0.0388 PRESSURE: 4118600 144.143 135.066 103.227 135.066 152.856 -71.7664 103.227 -71.767 143.301 GPRESSURE: 4118600 142.136 94.3589 103.753 126.798 179.028 -28.9087 135.245 -6.98959 216.514 PRESSAVG: 4118600 39.0448 26.0953 -4.47445 26.0953 6.98398 0.313635 -4.47443 0.313659 -45.1429 GPRESSAVG: 4118600 38.4218 24.3002 -4.9917 25.4887 7.38029 1.47526 -3.36285 1.41177 -45.2585 TIMING: 4118600 CPU: 11969.4, 0.00288403/step Wall: 11969.4, 0.00288403/step, 0.706106 hours remaining, 207.683594 MB of memory in use. ENERGY: 4118600 775.4733 2117.7037 1940.5878 114.4295 -206252.0442 18031.6201 0.0000 0.0000 34096.6966 -149175.5332 297.7749 -183272.2298 -149083.2275 298.7490 146.7668 179.2260 557849.6732 0.2953 0.1812 PRESSURE: 4118800 -162.073 70.0704 -152.793 70.0691 -97.4038 30.6276 -152.793 30.6278 -123.765 GPRESSURE: 4118800 -137.46 41.9971 -165.414 98.5362 -14.9056 43.42 -149.548 -11.2562 -129.926 PRESSAVG: 4118800 3.89388 6.74791 -7.82718 6.748 32.239 7.63271 -7.82727 7.63266 -12.9866 GPRESSAVG: 4118800 4.24186 5.62753 -7.53644 6.8967 31.4583 7.01172 -10.1727 4.91849 -12.57 TIMING: 4118800 CPU: 11969.9, 0.00289507/step Wall: 11969.9, 0.00289507/step, 0.708649 hours remaining, 207.683594 MB of memory in use. ENERGY: 4118800 753.4987 2061.9597 1950.0057 95.7275 -205868.3540 17627.9994 0.0000 0.0000 34300.6967 -149078.4663 299.5565 -183379.1629 -148986.2781 298.8462 -127.7473 -94.0974 559218.7645 7.7154 7.7101 PRESSURE: 4119000 -1.16379 60.9592 -14.1463 60.9607 -178.397 -110.505 -14.1459 -110.505 -16.4287 GPRESSURE: 4119000 8.29984 82.9425 22.6942 84.0574 -197.413 -151.105 -109.996 22.2165 80.7369 PRESSAVG: 4119000 20 -32.7893 35.0341 -32.7894 -30.398 -23.0363 35.0341 -23.0363 30.7238 GPRESSAVG: 4119000 19.5307 -31.8094 35.766 -33.9077 -29.6223 -23.0154 34.7855 -22.1731 29.9519 TIMING: 4119000 CPU: 11970.5, 0.00289517/step Wall: 11970.5, 0.00289517/step, 0.708513 hours remaining, 207.683594 MB of memory in use. ENERGY: 4119000 739.9846 2104.2235 1936.8063 101.2947 -205957.2784 17626.1500 0.0000 0.0000 34441.7642 -149007.0552 300.7885 -183448.8193 -148910.2814 300.0069 -65.3297 -36.1254 557880.0086 6.7752 6.6201 PRESSURE: 4119200 -136.238 8.79456 -72.6443 8.79448 -223.87 102.607 -72.6448 102.607 18.6932 GPRESSURE: 4119200 -80.2774 20.7156 -136.626 -9.38536 -195.459 61.3631 -20.8497 138.266 31.0139 PRESSAVG: 4119200 35.6015 -16.7561 -11.7151 -16.7561 -34.9623 -42.4562 -11.7151 -42.4562 -5.24527 GPRESSAVG: 4119200 35.56 -16.956 -11.4523 -17.386 -33.9206 -43.0135 -9.91424 -41.685 -6.33122 TIMING: 4119200 CPU: 11971.1, 0.00288627/step Wall: 11971.1, 0.00288627/step, 0.706174 hours remaining, 207.683594 MB of memory in use. ENERGY: 4119200 788.4574 2136.8415 1961.3596 122.9526 -205781.5820 17633.3231 0.0000 0.0000 34239.8460 -148898.8017 299.0251 -183138.6477 -148809.5631 300.8136 -113.8051 -81.5742 558047.3392 -1.5354 -1.5639 PRESSURE: 4119400 -291.471 -15.7043 61.1412 -15.7055 -147.621 -38.262 61.1399 -38.2624 -182.742 GPRESSURE: 4119400 -259.733 -21.5489 18.7215 -29.9019 -135.823 -50.5099 60.1945 -133.563 -127.416 PRESSAVG: 4119400 -70.8213 -11.9834 -44.3852 -11.9835 16.3896 19.9352 -44.3853 19.9351 49.7348 GPRESSAVG: 4119400 -70.6049 -11.4397 -45.5383 -11.1254 15.6459 21.8021 -43.4589 17.8993 50.0869 TIMING: 4119400 CPU: 11971.7, 0.00288279/step Wall: 11971.7, 0.00288279/step, 0.705162 hours remaining, 207.683594 MB of memory in use. ENERGY: 4119400 757.4078 2066.4420 1928.7897 112.0763 -205826.1293 17568.6153 0.0000 0.0000 34407.6240 -148985.1742 300.4903 -183392.7982 -148879.3576 300.2241 -207.2778 -174.3238 558042.6967 -1.5656 -1.6240 PRESSURE: 4119600 -42.3432 -117.972 56.1238 -117.97 -148.858 -29.6327 56.1249 -29.6319 28.1065 GPRESSURE: 4119600 2.2367 -229.919 -27.6699 -47.7953 -156.417 29.5002 28.6805 -16.1538 93.056 PRESSAVG: 4119600 9.47545 -31.3205 -62.7811 -31.3204 13.4664 -52.5304 -62.7812 -52.5302 -1.28357 GPRESSAVG: 4119600 8.52045 -33.0153 -63.6014 -28.9865 14.8951 -55.9961 -65.0446 -51.0088 -1.13568 TIMING: 4119600 CPU: 11972.3, 0.00288466/step Wall: 11972.3, 0.00288466/step, 0.70546 hours remaining, 207.683594 MB of memory in use. ENERGY: 4119600 754.3003 2135.5793 1936.6884 120.2243 -206004.0190 17743.5343 0.0000 0.0000 34447.1321 -148866.5603 300.8354 -183313.6924 -148772.8742 300.3333 -54.3650 -20.3748 559099.0127 7.2194 7.4266 PRESSURE: 4119800 -53.5313 99.7042 28.2212 99.7043 -52.3085 12.9948 28.2219 12.9963 -269.015 GPRESSURE: 4119800 -26.268 38.5677 54.0128 66.9038 -95.4359 -135.498 -36.391 86.4897 -152.662 PRESSAVG: 4119800 6.49623 -32.7955 3.25792 -32.7955 -3.42216 -67.6815 3.25795 -67.6815 22.3589 GPRESSAVG: 4119800 7.62894 -29.4732 4.53275 -34.6107 -5.76361 -66.3294 3.17965 -67.3691 23.0656 TIMING: 4119800 CPU: 11972.8, 0.00289335/step Wall: 11972.8, 0.00289335/step, 0.707424 hours remaining, 207.683594 MB of memory in use. ENERGY: 4119800 791.9123 2114.1137 1951.7789 117.5542 -205710.7514 17687.0443 0.0000 0.0000 34388.2747 -148660.0732 300.3214 -183048.3479 -148569.9256 300.6276 -124.9515 -91.4553 558668.1975 8.4777 8.3103 PRESSURE: 4120000 9.87893 41.1547 -132.442 41.1555 -11.1725 42.6972 -132.443 42.6981 -20.888 GPRESSURE: 4120000 93.6448 24.0227 -115.139 21.0672 8.882 36.6118 -130.314 19.7217 -32.8107 PRESSAVG: 4120000 -10.1765 4.57309 13.6817 4.57315 -22.742 -16.799 13.6817 -16.799 43.7685 GPRESSAVG: 4120000 -11.1063 2.38702 13.3573 4.71358 -21.8178 -16.6748 15.5731 -16.0282 43.5792 TIMING: 4120000 CPU: 11973.4, 0.00293124/step Wall: 11973.4, 0.00293124/step, 0.716526 hours remaining, 207.683594 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: 4120000 759.8830 2113.7109 1958.8193 114.9709 -206497.1829 18007.3245 0.0000 0.0000 34590.3321 -148952.1421 302.0860 -183542.4742 -148857.2317 300.3425 -7.3939 23.2387 557392.6491 3.6166 3.5517 PRESSURE: 4120200 211.13 -135.22 91.653 -135.221 176.077 117.431 91.6533 117.432 122.722 GPRESSURE: 4120200 254.655 -168.254 131.561 -68.8174 187.962 126.494 58.3695 109.694 141.331 PRESSAVG: 4120200 -16.9683 -12.0102 -12.1971 -12.0103 -7.70405 -0.409155 -12.1971 -0.408975 5.58862 GPRESSAVG: 4120200 -17.2345 -10.9214 -12.2431 -11.8683 -7.27994 -0.112634 -13.2335 -2.30362 4.81297 TIMING: 4120200 CPU: 11974, 0.00291742/step Wall: 11974, 0.00291742/step, 0.712985 hours remaining, 207.683594 MB of memory in use. ENERGY: 4120200 688.3288 2184.2384 1930.7771 107.4643 -206119.7944 17922.1696 0.0000 0.0000 34361.2738 -148925.5424 300.0856 -183286.8162 -148821.3682 299.8020 169.9765 194.6492 558605.3450 -6.3613 -6.5671 LDB: ============= START OF LOAD BALANCING ============== 11977.5 LDB: ============== END OF LOAD BALANCING =============== 11977.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11977.5 LDB: ============= START OF LOAD BALANCING ============== 11977.8 LDB: Largest compute 4848 load 0.026689 is 22.6% of average load 0.117854 LDB: Average compute 0.001734 is 1.5% of average load 0.117854 LDB: TIME 11977.8 LOAD: AVG 0.117854 MAX 0.178939 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 11977.8 LOAD: AVG 0.117854 MAX 0.178939 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 11977.8 LOAD: AVG 0.117854 MAX 0.178939 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 11977.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11977.8 PRESSURE: 4120400 -353.827 -106.503 105.736 -106.502 -44.0846 0.548378 105.736 0.548694 -169.676 GPRESSURE: 4120400 -272.974 -86.7591 74.8039 -156.124 -18.0114 69.995 122.955 61.8975 -178.87 PRESSAVG: 4120400 4.98619 -36.7516 2.15092 -36.7516 22.2908 9.68177 2.15095 9.68185 10.9562 GPRESSAVG: 4120400 5.94433 -36.8834 2.46804 -37.9548 20.3478 10.1663 0.0373192 10.1568 11.8482 TIMING: 4120400 CPU: 11974.6, 0.00297218/step Wall: 11974.6, 0.00297218/step, 0.726202 hours remaining, 206.023438 MB of memory in use. ENERGY: 4120400 726.6779 2137.7556 1944.7668 106.1090 -205633.9331 17420.0699 0.0000 0.0000 34422.5869 -148875.9670 300.6210 -183298.5539 -148775.1371 300.2200 -189.1960 -156.6183 557931.1593 12.7444 12.7134 PRESSURE: 4120600 -293.797 70.4271 109.662 70.4274 34.6916 -23.7141 109.661 -23.7145 -36.4029 GPRESSURE: 4120600 -243.147 30.4901 155.196 110.014 82.2429 -50.0743 -10.0392 16.4346 -28.9303 PRESSAVG: 4120600 -111.366 -44.736 18.2939 -44.736 79.7556 49.508 18.2939 49.508 56.0518 GPRESSAVG: 4120600 -112.455 -45.2626 17.6209 -42.73 82.0399 49.0524 19.6198 49.5588 55.3721 TIMING: 4120600 CPU: 11975.2, 0.00290418/step Wall: 11975.2, 0.00290418/step, 0.709427 hours remaining, 206.023438 MB of memory in use. ENERGY: 4120600 774.8254 2065.1133 1984.5734 118.9167 -205810.3865 17617.3131 0.0000 0.0000 34354.5273 -148895.1173 300.0266 -183249.6446 -148806.1010 300.3069 -98.5028 -63.2783 557086.4414 8.1473 8.3189 PRESSURE: 4120800 -203.374 -78.4441 -27.8013 -78.444 -221.082 -50.7109 -27.8004 -50.7107 78.0665 GPRESSURE: 4120800 -215.416 -97.0876 -57.6729 -21.0488 -164.196 10.956 -30.2342 -59.3202 129.349 PRESSAVG: 4120800 -57.3769 -13.0761 -24.5425 -13.0761 -45.9986 13.5628 -24.5425 13.563 58.1051 GPRESSAVG: 4120800 -58.5426 -12.3077 -22.8708 -13.2689 -46.0876 15.4054 -24.2149 12.5634 59.2926 TIMING: 4120800 CPU: 11975.8, 0.00290541/step Wall: 11975.8, 0.00290541/step, 0.709566 hours remaining, 206.023438 MB of memory in use. ENERGY: 4120800 757.4018 2145.3121 1963.6104 119.3387 -205969.2517 17732.5587 0.0000 0.0000 34262.3337 -148988.6962 299.2215 -183251.0300 -148900.3250 299.3724 -115.4632 -83.4208 558194.3011 -15.0901 -15.1125 PRESSURE: 4121000 218.638 34.4223 -61.5884 34.4224 -199.833 106.66 -61.5887 106.66 219.959 GPRESSURE: 4121000 211.095 61.8546 -66.6105 5.37809 -115.111 149.824 -59.0906 116.466 241.975 PRESSAVG: 4121000 3.37573 -49.4884 -6.08017 -49.4884 -112.216 14.5743 -6.08028 14.5743 119.748 GPRESSAVG: 4121000 5.05791 -49.1087 -6.20717 -49.6876 -112.312 13.1114 -6.08135 15.9989 118.276 TIMING: 4121000 CPU: 11976.3, 0.00290668/step Wall: 11976.3, 0.00290668/step, 0.709714 hours remaining, 206.023438 MB of memory in use. ENERGY: 4121000 742.9023 2089.8394 1934.2512 117.0960 -206170.3890 17901.7155 0.0000 0.0000 34399.0456 -148985.5390 300.4154 -183384.5846 -148884.7493 299.9158 79.5883 112.6532 557851.3683 3.6358 3.6739 PRESSURE: 4121200 390.289 -165.354 152.981 -165.354 368.905 84.7149 152.982 84.7142 40.7969 GPRESSURE: 4121200 408.336 -119.084 236.948 -188.124 364.059 164.872 67.7782 49.6588 111.85 PRESSAVG: 4121200 -25.2446 -45.2417 -15.4546 -45.2417 -32.4146 31.6682 -15.4546 31.6681 95.4228 GPRESSAVG: 4121200 -25.6262 -46.5542 -16.6434 -46.5857 -32.6088 30.4229 -15.6886 32.0343 95.5832 TIMING: 4121200 CPU: 11976.9, 0.00290508/step Wall: 11976.9, 0.00290508/step, 0.709162 hours remaining, 206.023438 MB of memory in use. ENERGY: 4121200 761.4232 2103.7250 1957.4634 128.1475 -206218.0601 18145.1349 0.0000 0.0000 34300.2628 -148821.9034 299.5527 -183122.1661 -148730.2855 300.1136 266.6637 294.7485 557167.9996 12.5878 12.4494 PRESSURE: 4121400 -34.4098 185.513 159.107 185.512 -129.646 25.9726 159.108 25.9707 183.849 GPRESSURE: 4121400 -16.5807 203.126 156.024 192.256 -32.1788 68.5177 77.0511 30.5229 174.004 PRESSAVG: 4121400 33.7353 -13.4644 23.6364 -13.4645 -38.9477 15.0339 23.6363 15.0339 -4.10859 GPRESSAVG: 4121400 33.762 -13.0589 23.461 -12.0196 -40.0286 14.6522 24.5446 13.6141 -3.41947 TIMING: 4121400 CPU: 11977.5, 0.00292302/step Wall: 11977.5, 0.00292302/step, 0.713379 hours remaining, 206.023438 MB of memory in use. ENERGY: 4121400 756.3280 2081.7454 1967.9128 109.4801 -206147.9885 17861.3490 0.0000 0.0000 34571.1979 -148799.9753 301.9189 -183371.1732 -148708.8876 300.5124 6.5978 41.7480 557626.0611 -3.1070 -3.2287 PRESSURE: 4121600 120.114 44.045 115.576 44.0459 -239.07 92.3482 115.576 92.3476 223.912 GPRESSURE: 4121600 123.453 134.714 59.0549 105.998 -144.262 29.2873 221.734 49.3804 233.731 PRESSAVG: 4121600 9.41056 8.0631 3.52112 8.06311 -64.3177 -19.2269 3.52104 -19.2269 83.0313 GPRESSAVG: 4121600 8.09482 6.98112 4.02643 10.2947 -62.2812 -17.6003 2.69869 -19.3152 81.7599 TIMING: 4121600 CPU: 11978.1, 0.00293189/step Wall: 11978.1, 0.00293189/step, 0.715381 hours remaining, 206.023438 MB of memory in use. ENERGY: 4121600 700.6669 2129.4221 1946.2573 117.2896 -205845.3748 17747.2234 0.0000 0.0000 34242.9045 -148961.6111 299.0518 -183204.5156 -148861.2417 300.6026 34.9856 70.9740 559276.1632 9.3747 9.1912 PRESSURE: 4121800 0.052477 92.9242 -125.923 92.9239 -281.122 177.006 -125.923 177.007 -5.60639 GPRESSURE: 4121800 46.9056 86.0308 -200.968 92.0041 -265.836 267.295 -81.1254 203.467 48.3276 PRESSAVG: 4121800 65.0726 -4.59307 12.8415 -4.59309 -88.7167 49.5808 12.8415 49.5808 31.7976 GPRESSAVG: 4121800 66.4042 -4.14496 13.743 -7.13399 -90.6963 48.2494 12.8644 51.4375 32.1259 TIMING: 4121800 CPU: 11978.7, 0.00289606/step Wall: 11978.7, 0.00289606/step, 0.706479 hours remaining, 206.023438 MB of memory in use. ENERGY: 4121800 758.2592 2112.5667 1939.8250 108.4545 -206088.4409 17747.1318 0.0000 0.0000 34341.3115 -149080.8923 299.9112 -183422.2037 -148981.7985 299.8976 -95.5586 -56.8675 558076.9321 2.7179 2.6113 PRESSURE: 4122000 -80.4596 39.5319 -69.8677 39.5335 -81.4246 84.7227 -69.8673 84.7222 27.7512 GPRESSURE: 4122000 -20.9636 0.244598 -87.8062 37.2628 -51.5256 170.597 -87.7958 91.2896 27.5863 PRESSAVG: 4122000 57.1308 11.3964 -41.7616 11.3964 -37.0631 27.8218 -41.7616 27.8219 -44.4204 GPRESSAVG: 4122000 57.5639 12.5351 -42.3359 11.0417 -36.9056 28.745 -41.6955 26.8552 -44.6525 TIMING: 4122000 CPU: 11979.2, 0.00288865/step Wall: 11979.2, 0.00288865/step, 0.70451 hours remaining, 206.023438 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: 4122000 741.3439 2113.1417 1974.8421 129.5720 -205979.1243 17664.5872 0.0000 0.0000 34511.9033 -148843.7342 301.4010 -183355.6375 -148746.2495 299.7602 -44.7110 -14.9676 558005.9435 -8.1176 -7.9981 PRESSURE: 4122200 -45.5604 -117.003 -131.99 -117.003 207.345 24.6563 -131.99 24.6554 141.571 GPRESSURE: 4122200 -26.8552 -166.752 -139.575 -43.4338 254.608 -11.6451 -66.1162 44.061 170.215 PRESSAVG: 4122200 90.8278 30.9814 -95.189 30.9813 -25.8877 -14.1834 -95.1891 -14.1833 -46.8238 GPRESSAVG: 4122200 89.497 32.0183 -96.9287 32.5768 -24.9103 -16.4652 -95.564 -13.457 -46.848 TIMING: 4122200 CPU: 11979.8, 0.00289255/step Wall: 11979.8, 0.00289255/step, 0.705301 hours remaining, 206.023438 MB of memory in use. ENERGY: 4122200 752.1593 2158.0756 1967.3906 129.5570 -206216.6387 17998.7154 0.0000 0.0000 34223.3365 -148987.4043 298.8809 -183210.7408 -148890.0390 300.2007 101.1185 132.6560 557492.4312 6.0388 5.9129 PRESSURE: 4122400 256.902 -119.19 147.209 -119.191 67.6088 8.59036 147.209 8.59161 93.786 GPRESSURE: 4122400 273.696 -65.1268 197.844 -168.568 72.2345 61.4789 158.895 13.5692 170.387 PRESSAVG: 4122400 -35.683 7.61164 -22.6571 7.61165 3.0089 -33.3794 -22.6571 -33.3794 18.9039 GPRESSAVG: 4122400 -34.3759 6.97474 -19.5567 4.73177 1.8739 -31.5596 -21.8699 -33.5528 18.8481 TIMING: 4122400 CPU: 11980.4, 0.00291417/step Wall: 11980.4, 0.00291417/step, 0.710409 hours remaining, 206.023438 MB of memory in use. ENERGY: 4122400 778.4823 2103.9576 1969.3542 116.9518 -206264.3289 18015.2330 0.0000 0.0000 34481.6402 -148798.7098 301.1367 -183280.3500 -148694.1758 301.1395 139.4321 172.1057 557970.0124 -4.5901 -4.5513 PRESSURE: 4122600 -396.271 -2.68542 -77.1757 -2.6841 -30.9493 80.419 -77.1759 80.4172 -97.3818 GPRESSURE: 4122600 -324.906 -72.3658 -41.9959 10.712 -35.603 84.237 -112.748 41.1395 -84.5847 PRESSAVG: 4122600 -19.7865 -1.47938 -31.0121 -1.47936 -8.11081 15.6238 -31.012 15.6238 65.5407 GPRESSAVG: 4122600 -19.8387 -3.18876 -32.7367 3.25359 -8.05843 16.197 -30.9842 13.7301 65.1154 TIMING: 4122600 CPU: 11981, 0.00289335/step Wall: 11981, 0.00289335/step, 0.705173 hours remaining, 206.023438 MB of memory in use. ENERGY: 4122600 790.5547 2071.8207 1973.6439 114.3580 -205516.9989 17492.6860 0.0000 0.0000 34359.7525 -148714.1831 300.0723 -183073.9356 -148613.0907 300.6598 -174.8673 -148.3645 558004.5543 12.5478 12.4061 PRESSURE: 4122800 129.352 -62.8829 -73.7901 -62.8826 1.82958 37.1851 -73.7909 37.1849 -49.7797 GPRESSURE: 4122800 101.575 -79.433 -74.4268 -80.9263 71.2961 -21.2213 -68.2025 110.445 5.04289 PRESSAVG: 4122800 8.05181 7.11294 -4.18445 7.11294 -51.7529 -29.655 -4.18439 -29.655 42.9791 GPRESSAVG: 4122800 7.2345 8.81396 -3.36636 5.13206 -51.2891 -30.1491 -5.07557 -27.7421 43.6858 TIMING: 4122800 CPU: 11981.6, 0.00289499/step Wall: 11981.6, 0.00289499/step, 0.705412 hours remaining, 206.023438 MB of memory in use. ENERGY: 4122800 740.6145 2149.4049 1918.5433 127.3363 -205982.1257 17742.7712 0.0000 0.0000 34446.4149 -148857.0406 300.8291 -183303.4554 -148764.6605 300.2697 27.1340 59.3048 556966.1421 -0.2407 -0.1230 PRESSURE: 4123000 37.6943 -30.5229 59.7009 -30.5243 -301.284 -129.749 59.7015 -129.749 66.1991 GPRESSURE: 4123000 27.1907 -55.0549 69.7955 46.9167 -231.736 -69.7682 -36.693 -168.966 101.288 PRESSAVG: 4123000 45.555 2.68804 29.1432 2.68796 -6.6265 19.2035 29.1433 19.2035 4.93318 GPRESSAVG: 4123000 45.6278 2.492 28.3522 1.1443 -5.77726 20.3824 30.6058 16.8489 3.71274 TIMING: 4123000 CPU: 11982.2, 0.00292412/step Wall: 11982.2, 0.00292412/step, 0.712347 hours remaining, 206.023438 MB of memory in use. ENERGY: 4123000 736.4222 2143.7646 1985.0250 121.7861 -205709.9712 17577.5001 0.0000 0.0000 34380.9904 -148764.4828 300.2577 -183145.4731 -148663.8239 301.0570 -65.7969 -34.4188 557130.1639 14.6206 14.5211 PRESSURE: 4123200 -209.533 74.7067 -25.081 74.7076 24.279 -219.907 -25.0803 -219.907 -153.136 GPRESSURE: 4123200 -213.543 84.3429 -32.0412 100.048 51.5953 -211.188 -76.5823 -158.784 -94.5791 PRESSAVG: 4123200 -39.1301 19.0707 -31.0053 19.0707 43.2191 0.189947 -31.0052 0.190017 -59.9812 GPRESSAVG: 4123200 -38.7279 18.0354 -32.0336 20.6826 41.9953 -1.00655 -33.228 1.52992 -59.4143 TIMING: 4123200 CPU: 11982.7, 0.0029059/step Wall: 11982.7, 0.0029059/step, 0.707749 hours remaining, 206.023438 MB of memory in use. ENERGY: 4123200 794.4816 2117.8847 1965.9118 117.2726 -206192.7579 17773.8282 0.0000 0.0000 34599.7256 -148823.6535 302.1680 -183423.3791 -148726.1802 301.1188 -112.7967 -85.5089 557115.7396 -18.6307 -18.7156 PRESSURE: 4123400 -53.7691 37.8936 -44.3133 37.8944 -266.119 164.619 -44.314 164.619 -11.529 GPRESSURE: 4123400 -61.196 -66.1319 -86.2867 180.677 -184.625 71.786 5.19804 187.687 8.97181 PRESSAVG: 4123400 -56.6957 45.4078 -15.4785 45.4078 -32.0826 -91.7003 -15.4785 -91.7004 37.6512 GPRESSAVG: 4123400 -57.1364 44.4653 -14.3702 47.6555 -30.7868 -91.5369 -13.6513 -93.7099 37.9358 TIMING: 4123400 CPU: 11983.3, 0.00289995/step Wall: 11983.3, 0.00289995/step, 0.706138 hours remaining, 206.023438 MB of memory in use. ENERGY: 4123400 750.3400 2123.0660 1959.5149 108.5639 -205848.5685 17609.4936 0.0000 0.0000 34346.5197 -148951.0705 299.9567 -183297.5902 -148852.9676 300.2916 -110.4725 -78.9496 558482.2056 -17.0424 -16.6624 PRESSURE: 4123600 -51.8653 0.0154733 96.6815 0.0153306 121.072 104.572 96.6809 104.571 146.978 GPRESSURE: 4123600 24.7057 58.7201 100.084 -86.3052 127.798 155.227 105.395 29.6004 158.678 PRESSAVG: 4123600 -2.5811 47.4841 43.1432 47.4841 49.1502 -10.6126 43.1432 -10.6126 -39.3165 GPRESSAVG: 4123600 -1.81636 52.0005 40.3906 43.9566 49.6039 -9.7187 43.7573 -9.59951 -40.4995 TIMING: 4123600 CPU: 11983.9, 0.00291429/step Wall: 11983.9, 0.00291429/step, 0.709468 hours remaining, 206.023438 MB of memory in use. ENERGY: 4123600 746.8095 2080.2907 2008.5547 117.0552 -206004.9879 17720.6992 0.0000 0.0000 34254.4653 -149077.1135 299.1528 -183331.5787 -148991.4719 299.5436 72.0616 103.7272 557992.5538 2.4175 2.4293 PRESSURE: 4123800 -251.347 23.4797 39.2799 23.4792 90.2614 -133.497 39.2806 -133.497 -122.373 GPRESSURE: 4123800 -202.548 -25.1356 53.9777 129.777 92.3129 -189.295 81.8765 -144.598 -73.5807 PRESSAVG: 4123800 -69.579 46.7598 32.4907 46.7598 39.0505 47.5086 32.4906 47.5087 -8.41968 GPRESSAVG: 4123800 -69.4552 43.2258 35.6059 50.054 38.9116 46.1823 30.962 49.2234 -8.382 TIMING: 4123800 CPU: 11984.5, 0.00288991/step Wall: 11984.5, 0.00288991/step, 0.703371 hours remaining, 206.023438 MB of memory in use. ENERGY: 4123800 711.2562 2118.5265 1961.5260 119.5335 -206022.8469 17624.1358 0.0000 0.0000 34259.5630 -149228.3059 299.1973 -183487.8689 -149130.8797 299.3419 -94.4861 -61.2720 557367.3358 -12.9827 -12.9752 PRESSURE: 4124000 -22.3675 67.4104 -18.1457 67.4102 -246.867 69.2505 -18.1459 69.2516 158.358 GPRESSURE: 4124000 32.2059 60.4516 -54.2201 67.4894 -192.674 61.9333 -53.8753 58.2294 142.292 PRESSAVG: 4124000 -58.8311 -7.4814 49.7471 -7.48137 -41.6965 -18.0524 49.7471 -18.0524 59.0824 GPRESSAVG: 4124000 -59.279 -5.49934 49.5532 -9.99046 -42.7181 -16.1234 49.9381 -19.3151 60.4039 TIMING: 4124000 CPU: 11985.1, 0.00293141/step Wall: 11985.1, 0.00293141/step, 0.71331 hours remaining, 206.023438 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: 4124000 756.7779 2119.0829 1971.8523 102.1785 -206511.2348 17801.1634 0.0000 0.0000 34506.9525 -149253.2272 301.3578 -183760.1797 -149156.8402 299.3447 -36.9590 -6.0588 556505.0574 -13.8150 -13.8644 PRESSURE: 4124200 -229.599 60.3396 48.9977 60.3388 -236.738 -41.6814 48.9963 -41.6788 -267.669 GPRESSURE: 4124200 -172.333 159.555 142.859 21.5885 -230.894 -36.1308 -45.8078 -41.3221 -224.166 PRESSAVG: 4124200 23.2566 2.28046 8.19989 2.28053 22.1901 -4.53416 8.19983 -4.53412 -6.22321 GPRESSAVG: 4124200 23.2051 0.857956 6.23992 4.78093 23.3561 -5.6699 7.98851 -3.99957 -6.93512 TIMING: 4124200 CPU: 11985.6, 0.0029075/step Wall: 11985.6, 0.0029075/step, 0.707331 hours remaining, 206.023438 MB of memory in use. ENERGY: 4124200 797.9766 2066.9844 1970.3382 114.2935 -205817.5190 17513.1286 0.0000 0.0000 34256.2596 -149098.5381 299.1684 -183354.7977 -148999.4295 299.9971 -244.6688 -209.1308 558397.8484 13.0745 13.2087 LDB: ============= START OF LOAD BALANCING ============== 11989.1 LDB: ============== END OF LOAD BALANCING =============== 11989.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11989.1 LDB: ============= START OF LOAD BALANCING ============== 11989.4 LDB: Largest compute 4848 load 0.026885 is 22.8% of average load 0.117841 LDB: Average compute 0.001742 is 1.5% of average load 0.117841 LDB: TIME 11989.4 LOAD: AVG 0.117841 MAX 0.179938 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.73 MB LDB: TIME 11989.4 LOAD: AVG 0.117841 MAX 0.179938 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: TIME 11989.4 LOAD: AVG 0.117841 MAX 0.179938 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11989.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11989.4 PRESSURE: 4124400 99.6478 -164.259 -15.586 -164.26 353.332 106.849 -15.5868 106.85 186.044 GPRESSURE: 4124400 174.069 -161.478 11.41 -166.532 295.478 104.155 55.5099 140.258 259.69 PRESSAVG: 4124400 -1.92428 -12.5887 -4.73331 -12.5887 9.84205 14.9185 -4.73329 14.9184 -21.405 GPRESSAVG: 4124400 0.181138 -14.1558 -4.43935 -12.2115 7.68343 12.9468 -4.76302 16.1054 -21.4035 TIMING: 4124400 CPU: 11986.2, 0.0029563/step Wall: 11986.2, 0.0029563/step, 0.719037 hours remaining, 208.347656 MB of memory in use. ENERGY: 4124400 730.1987 2055.6758 1967.1185 101.8838 -205977.5749 17732.6470 0.0000 0.0000 34293.4837 -149096.5674 299.4935 -183390.0511 -149001.7274 299.9266 213.0078 243.0791 554508.2232 -4.4957 -4.5130 PRESSURE: 4124600 48.6217 134.271 -30.3755 134.271 -118.147 47.7269 -30.3749 47.726 158.001 GPRESSURE: 4124600 102.666 105.706 -34.7942 145.221 -65.0136 124.221 83.824 9.52841 150.784 PRESSAVG: 4124600 7.63577 -24.7729 9.10861 -24.7729 19.1658 -37.7325 9.10869 -37.7324 14.8867 GPRESSAVG: 4124600 5.58572 -21.4213 8.83334 -27.7551 20.1292 -34.4319 8.56983 -40.286 15.4794 TIMING: 4124600 CPU: 11986.8, 0.00290033/step Wall: 11986.8, 0.00290033/step, 0.705263 hours remaining, 208.417969 MB of memory in use. ENERGY: 4124600 755.0581 2081.1893 1957.9271 112.4653 -206376.4929 17876.1633 0.0000 0.0000 34514.0322 -149079.6576 301.4196 -183593.6897 -148978.9949 300.0641 29.4918 62.8121 556373.0384 13.8961 13.7314 PRESSURE: 4124800 99.4928 -104.796 -61.6439 -104.795 -344.656 -235.335 -61.6432 -235.335 -158.837 GPRESSURE: 4124800 158.956 -206.016 -83.0262 -65.3031 -295.737 -252.05 -81.2323 -197.01 -177.054 PRESSAVG: 4124800 115.825 -11.1198 2.46342 -11.1197 -29.3671 -43.6814 2.46348 -43.6813 -97.6072 GPRESSAVG: 4124800 117.215 -12.7803 2.67826 -11.0349 -30.2762 -46.9165 2.82896 -41.3755 -97.9202 TIMING: 4124800 CPU: 11987.4, 0.00288718/step Wall: 11987.4, 0.00288718/step, 0.701905 hours remaining, 208.417969 MB of memory in use. ENERGY: 4124800 731.3618 2170.3347 1925.1856 114.0211 -205894.4295 17566.1335 0.0000 0.0000 34483.4968 -148903.8962 301.1530 -183387.3929 -148808.5307 300.1416 -134.6669 -104.6116 558564.4313 -3.7166 -3.6605 PRESSURE: 4125000 142.38 118 -21.2091 117.999 -230.099 87.726 -21.2084 87.7254 -215.547 GPRESSURE: 4125000 183.113 63.2047 18.9191 58.8149 -196.767 79.065 -22.1512 73.3971 -181.393 PRESSAVG: 4125000 49.5673 64.704 19.2632 64.704 -1.56091 -36.3959 19.2632 -36.3959 -48.6277 GPRESSAVG: 4125000 48.9953 65.0976 18.9435 66.0954 -0.738527 -35.1554 20.7542 -37.8442 -49.1731 TIMING: 4125000 CPU: 11988, 0.00287137/step Wall: 11988, 0.00287137/step, 0.697902 hours remaining, 208.417969 MB of memory in use. ENERGY: 4125000 769.7073 2167.4846 1963.1069 117.4474 -205837.6506 17712.0742 0.0000 0.0000 34265.0816 -148842.7487 299.2455 -183107.8303 -148754.9208 300.9020 -101.0889 -65.0158 557514.7568 -0.2071 -0.3054 PRESSURE: 4125200 180.502 206.196 55.0363 206.197 -151.913 -143.855 55.0368 -143.858 -47.2849 GPRESSURE: 4125200 252.03 151.252 74.4913 200.616 -125.403 -98.3072 103.296 -86.542 -44.2719 PRESSAVG: 4125200 15.3613 -31.75 40.595 -31.75 4.48819 2.93749 40.5949 2.93736 -49.728 GPRESSAVG: 4125200 16.214 -32.6523 41.176 -32.5606 4.4489 0.488897 38.3976 4.20696 -50.2869 TIMING: 4125200 CPU: 11988.5, 0.00287532/step Wall: 11988.5, 0.00287532/step, 0.698702 hours remaining, 208.417969 MB of memory in use. ENERGY: 4125200 753.4607 2118.4093 1956.6589 119.3547 -205917.2961 17768.5928 0.0000 0.0000 34311.0964 -148889.7232 299.6473 -183200.8196 -148799.7460 300.0171 -6.2319 27.4519 557005.9474 -9.9595 -9.8747 PRESSURE: 4125400 9.8879 63.0612 -182.64 63.0609 27.4724 23.8547 -182.64 23.8549 -160.805 GPRESSURE: 4125400 25.0341 60.4538 -115.076 58.8971 66.9861 82.0345 -295.634 0.43861 -106.455 PRESSAVG: 4125400 15.9518 30.4656 -40.9833 30.4657 -53.0343 17.7416 -40.9832 17.7415 3.18038 GPRESSAVG: 4125400 15.7584 31.6925 -42.0813 31.1293 -53.0639 21.8725 -38.9169 15.3611 3.13861 TIMING: 4125400 CPU: 11989.1, 0.00286923/step Wall: 11989.1, 0.00286923/step, 0.697064 hours remaining, 208.417969 MB of memory in use. ENERGY: 4125400 763.0248 2126.4433 1942.9140 106.8894 -206172.7558 17579.3451 0.0000 0.0000 34464.2068 -149189.9326 300.9845 -183654.1393 -149093.5444 300.5211 -41.1482 -4.8117 555515.1834 -11.3007 -11.3890 PRESSURE: 4125600 -78.3634 -3.86275 13.4193 -3.86356 -204.007 -149.738 13.4198 -149.736 -290.855 GPRESSURE: 4125600 -25.801 6.41798 24.9368 -19.8206 -170.355 -167.46 -10.0975 -73.7349 -279.39 PRESSAVG: 4125600 -18.2242 24.0549 -4.84262 24.055 -6.05947 -1.41747 -4.84274 -1.41743 -13.4091 GPRESSAVG: 4125600 -18.6219 21.8053 -2.67583 24.6931 -5.87587 -3.1229 -5.18296 1.06263 -13.3463 TIMING: 4125600 CPU: 11989.7, 0.00288066/step Wall: 11989.7, 0.00288066/step, 0.699681 hours remaining, 208.417969 MB of memory in use. ENERGY: 4125600 754.0021 2139.3107 1979.9591 123.9675 -205886.0402 17340.6330 0.0000 0.0000 34190.1516 -149358.0162 298.5911 -183548.1678 -149266.2236 299.2381 -191.0750 -158.5153 555264.2637 -12.5642 -12.6147 PRESSURE: 4125800 206.514 122.305 27.5367 122.306 172.071 51.5404 27.5366 51.5403 256.629 GPRESSURE: 4125800 274.691 168.951 8.11762 69.0434 196.923 64.2407 45.2085 77.6179 276.19 PRESSAVG: 4125800 -17.8581 -37.2788 -42.8992 -37.2787 0.153973 -0.420931 -42.8992 -0.421007 37.2379 GPRESSAVG: 4125800 -16.9224 -35.3986 -44.8056 -38.1122 -0.0341676 -1.46984 -44.1369 -1.11372 36.3557 TIMING: 4125800 CPU: 11990.3, 0.00291141/step Wall: 11990.3, 0.00291141/step, 0.706988 hours remaining, 208.417969 MB of memory in use. ENERGY: 4125800 718.6268 2125.7777 1956.1423 113.0486 -206845.1742 18117.8881 0.0000 0.0000 34375.7397 -149437.9510 300.2119 -183813.6907 -149340.9406 298.5563 211.7382 249.2679 554520.6505 6.5113 6.4664 PRESSURE: 4126000 126.952 -16.9978 -109.975 -16.9968 -42.6761 -53.4466 -109.976 -53.4474 -106.843 GPRESSURE: 4126000 135.086 -63.1103 -109.972 79.6298 3.62722 -63.6661 -167.37 13.0835 -73.5835 PRESSAVG: 4126000 -8.06588 8.04835 -30.8465 8.04834 -25.0298 -49.8362 -30.8465 -49.8361 47.214 GPRESSAVG: 4126000 -8.69716 7.38487 -30.3495 8.57805 -26.0413 -50.3385 -32.041 -48.7646 49.0878 TIMING: 4126000 CPU: 11990.9, 0.00290608/step Wall: 11990.9, 0.00290608/step, 0.70553 hours remaining, 208.417969 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: 4126000 743.6464 2081.3584 1949.3137 113.2037 -206190.3824 17882.2297 0.0000 0.0000 34015.3616 -149405.2688 297.0646 -183420.6304 -149305.7392 299.0866 -7.5221 21.7101 555762.2146 4.7061 4.7831 PRESSURE: 4126200 -98.2429 -128.895 118.252 -128.894 -56.856 19.2238 118.253 19.2226 -128.975 GPRESSURE: 4126200 -76.6303 -147.863 57.7835 -109.896 -47.7419 -26.4528 129.218 93.2507 -72.3986 PRESSAVG: 4126200 13.4292 -1.79886 -24.0925 -1.79882 35.0126 -23.21 -24.0925 -23.2102 -25.113 GPRESSAVG: 4126200 12.5057 0.828036 -21.818 -3.94354 36.7351 -23.9645 -23.2435 -23.5655 -25.7635 TIMING: 4126200 CPU: 11991.4, 0.00288981/step Wall: 11991.4, 0.00288981/step, 0.70142 hours remaining, 208.621094 MB of memory in use. ENERGY: 4126200 774.4042 2081.1432 1954.5147 109.1450 -206418.9022 17835.4634 0.0000 0.0000 34421.7723 -149242.4593 300.6139 -183664.2317 -149137.2444 299.0083 -94.6914 -65.5903 555865.3807 7.7763 7.8258 PRESSURE: 4126400 -257.698 83.9216 -7.1551 83.9218 14.2946 69.2488 -7.15474 69.2482 -144.595 GPRESSURE: 4126400 -190.784 76.8163 25.8532 145.135 -16.8317 16.3376 12.4589 20.772 -105.49 PRESSAVG: 4126400 36.5343 -14.3381 52.6748 -14.3382 -24.5782 6.02432 52.6747 6.02444 29.1371 GPRESSAVG: 4126400 38.7511 -15.9434 51.3994 -13.567 -25.7305 5.49293 52.9147 4.87627 28.8721 TIMING: 4126400 CPU: 11992, 0.00288691/step Wall: 11992, 0.00288691/step, 0.700558 hours remaining, 208.621094 MB of memory in use. ENERGY: 4126400 790.7685 2105.1619 1948.6502 114.8015 -205931.1429 17607.6093 0.0000 0.0000 34233.9166 -149130.2350 298.9733 -183364.1516 -149032.2361 298.7169 -129.3331 -104.3687 556213.7798 13.6977 13.9642 PRESSURE: 4126600 70.5149 48.2083 209.456 48.2071 -97.7842 -35.589 209.456 -35.59 -3.15211 GPRESSURE: 4126600 103.26 15.4245 293.378 6.45623 -61.4255 -5.1146 127.53 -66.91 26.7328 PRESSAVG: 4126600 -74.5745 0.72352 29.7745 0.72356 40.9283 -25.8664 29.7745 -25.8663 -31.006 GPRESSAVG: 4126600 -76.7911 1.80086 28.8417 0.181733 41.2362 -24.3534 28.7887 -24.0314 -29.4792 TIMING: 4126600 CPU: 11992.6, 0.0028916/step Wall: 11992.6, 0.0028916/step, 0.701534 hours remaining, 208.621094 MB of memory in use. ENERGY: 4126600 764.0850 2070.9614 1964.8248 114.0578 -206041.2533 17729.6851 0.0000 0.0000 34413.6700 -148983.9692 300.5431 -183397.6392 -148889.1021 299.5817 -10.1405 22.8558 557952.4139 -21.5507 -21.6780 PRESSURE: 4126800 -335.893 8.36107 252.44 8.36159 120.199 -114.776 252.441 -114.778 -390.35 GPRESSURE: 4126800 -257.387 1.66393 277.805 58.0508 149.295 -12.3513 241.555 -55.221 -387.251 PRESSAVG: 4126800 -4.86005 30.9271 102.73 30.9271 49.6659 -55.6903 102.73 -55.6903 -16.4178 GPRESSAVG: 4126800 -3.27006 30.2168 104.194 32.8123 50.4273 -55.3257 102.895 -55.3226 -18.7386 TIMING: 4126800 CPU: 11993.2, 0.00287358/step Wall: 11993.2, 0.00287358/step, 0.697004 hours remaining, 208.621094 MB of memory in use. ENERGY: 4126800 750.4804 2103.9643 1947.5014 115.7265 -206124.4814 17731.1064 0.0000 0.0000 34432.2425 -149043.4599 300.7053 -183475.7024 -148936.6768 300.3891 -202.0147 -165.1142 558092.5846 9.4627 9.4729 PRESSURE: 4127000 -9.541 45.0405 -58.9967 45.0413 1.74752 37.8789 -58.997 37.8781 22.3926 GPRESSURE: 4127000 16.1005 123.011 -49.7581 36.4218 57.4583 11.0997 -68.7834 -11.3095 37.8184 PRESSAVG: 4127000 -24.1439 -26.0947 55.6367 -26.0946 40.5062 -63.6773 55.6367 -63.6773 -1.55006 GPRESSAVG: 4127000 -25.1297 -27.3637 53.4001 -27.2361 40.3573 -62.8013 56.8241 -65.2159 -0.660917 TIMING: 4127000 CPU: 11993.7, 0.0028756/step Wall: 11993.7, 0.0028756/step, 0.697333 hours remaining, 208.621094 MB of memory in use. ENERGY: 4127000 758.2760 2084.0113 1983.8777 117.4537 -205939.8704 17666.4862 0.0000 0.0000 34272.2993 -149057.4662 299.3085 -183329.7655 -148964.0024 300.3659 4.8664 37.1257 557083.5121 4.9374 4.8556 PRESSURE: 4127200 -193.973 88.4049 -55.3551 88.4049 -30.9353 -98.3858 -55.3574 -98.3852 52.0334 GPRESSURE: 4127200 -159.654 22.8079 -58.3072 93.1534 -2.84777 -109.993 38.6164 -35.4173 87.556 PRESSAVG: 4127200 24.3771 15.6147 4.58238 15.6147 -23.0726 51.3191 4.58223 51.3191 -15.0379 GPRESSAVG: 4127200 24.5824 15.0369 4.4918 15.2009 -23.8106 52.1379 5.13063 50.9612 -14.1807 TIMING: 4127200 CPU: 11994.3, 0.00289788/step Wall: 11994.3, 0.00289788/step, 0.702575 hours remaining, 208.621094 MB of memory in use. ENERGY: 4127200 722.3659 2093.6152 1930.0784 124.0157 -205986.1424 17708.5861 0.0000 0.0000 34299.2131 -149108.2679 299.5436 -183407.4810 -149011.5633 299.3634 -57.6250 -24.9819 557872.6051 -4.5778 -4.4696 PRESSURE: 4127400 -348.657 -115.008 12.6778 -115.01 -415.535 -57.1203 12.6779 -57.1216 -53.2624 GPRESSURE: 4127400 -375.053 -146.71 54.3762 -68.2266 -337.938 -0.788868 37.4319 -31.8909 -4.88244 PRESSAVG: 4127400 11.8808 -19.7346 31.8545 -19.7347 1.63323 61.2496 31.8545 61.2497 4.87606 GPRESSAVG: 4127400 12.2034 -19.4769 31.4076 -19.4969 1.94939 60.6482 33.0703 62.5076 3.55685 TIMING: 4127400 CPU: 11994.9, 0.00289634/step Wall: 11994.9, 0.00289634/step, 0.70204 hours remaining, 208.621094 MB of memory in use. ENERGY: 4127400 760.6199 2091.4954 1934.6560 113.7151 -205701.1830 17370.4145 0.0000 0.0000 34414.8977 -149015.3844 300.5539 -183430.2821 -148909.6379 299.9888 -272.4849 -239.2912 558053.8987 6.1300 5.9032 PRESSURE: 4127600 -199.503 -92.4526 128.928 -92.4508 -170.417 -115.57 128.929 -115.571 -99.2327 GPRESSURE: 4127600 -210.112 -101.082 100.347 -13.4664 -102.098 -68.3374 109.514 -138.18 -63.7072 PRESSAVG: 4127600 9.98032 -8.99426 1.54237 -8.99429 -4.62863 -8.01227 1.54247 -8.0123 -7.18448 GPRESSAVG: 4127600 8.1389 -7.8488 2.06282 -7.57665 -5.62838 -8.06309 -0.72414 -10.1969 -3.74247 TIMING: 4127600 CPU: 11995.5, 0.00289523/step Wall: 11995.5, 0.00289523/step, 0.70161 hours remaining, 208.621094 MB of memory in use. ENERGY: 4127600 759.1003 2114.6022 1927.4136 127.0153 -205837.3735 17573.7040 0.0000 0.0000 34196.2004 -149139.3376 298.6439 -183335.5380 -149045.0548 300.0208 -156.3842 -125.3057 556311.0561 -0.6109 -0.4106 PRESSURE: 4127800 -203.294 -6.98966 -62.299 -6.98941 5.66806 -76.0657 -62.2982 -76.0659 66.6149 GPRESSURE: 4127800 -164.28 4.04012 -28.0697 -81.857 50.3781 -53.0985 -51.4478 -62.7858 72.3766 PRESSAVG: 4127800 -53.3086 21.7997 2.32039 21.7998 11.2194 -73.8447 2.32038 -73.8446 68.3896 GPRESSAVG: 4127800 -53.0893 21.7425 3.61236 21.5995 12.4628 -75.4012 2.66067 -72.1639 66.9432 TIMING: 4127800 CPU: 11996.1, 0.00288353/step Wall: 11996.1, 0.00288353/step, 0.698616 hours remaining, 208.621094 MB of memory in use. ENERGY: 4127800 730.4900 2122.3709 1943.9388 106.7051 -206274.3357 17778.3881 0.0000 0.0000 34396.6945 -149195.7485 300.3949 -183592.4429 -149094.5412 299.0620 -43.6702 -13.8418 557396.0408 8.7668 8.7722 PRESSURE: 4128000 -86.3105 -16.2663 -33.2967 -16.2667 239.901 -171.171 -33.2978 -171.169 109.53 GPRESSURE: 4128000 -37.4451 -12.0634 -35.9602 10.9767 232.18 -177.22 -136.661 -163.378 168.812 PRESSAVG: 4128000 -57.4345 13.434 -16.58 13.434 55.8217 -59.5835 -16.58 -59.5834 -1.94963 GPRESSAVG: 4128000 -56.2364 10.8077 -17.6229 13.9213 56.0459 -60.1573 -17.1564 -57.9567 -2.89872 TIMING: 4128000 CPU: 11996.6, 0.00287252/step Wall: 11996.6, 0.00287252/step, 0.695788 hours remaining, 208.621094 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: 4128000 717.1713 2129.7446 1968.9628 99.0163 -206292.2589 17975.1443 0.0000 0.0000 34135.6074 -149266.6123 298.1147 -183402.2197 -149168.9627 298.9355 87.7068 121.1825 557946.9462 -1.1875 -1.0297 PRESSURE: 4128200 -28.84 100.452 27.9697 100.452 92.7056 -45.9888 27.9708 -45.9881 -249.714 GPRESSURE: 4128200 -37.5744 171.557 0.820416 75.356 107.452 -118.814 24.4855 7.84781 -169.407 PRESSAVG: 4128200 -110.408 -43.5473 -18.9658 -43.5473 62.1475 20.995 -18.9657 20.995 7.52085 GPRESSAVG: 4128200 -111.776 -41.1094 -16.5029 -43.0947 62.6501 22.3318 -17.3262 21.0608 8.54806 TIMING: 4128200 CPU: 11997.2, 0.00287455/step Wall: 11997.2, 0.00287455/step, 0.696121 hours remaining, 208.621094 MB of memory in use. ENERGY: 4128200 749.5298 2097.8555 1930.8651 113.5157 -206219.0772 17785.6987 0.0000 0.0000 34273.5295 -149268.0829 299.3193 -183541.6124 -149166.6292 299.0242 -61.9495 -33.1767 557780.2005 -13.5799 -13.5259 LDB: ============= START OF LOAD BALANCING ============== 12000.7 LDB: ============== END OF LOAD BALANCING =============== 12000.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12000.7 LDB: ============= START OF LOAD BALANCING ============== 12001 LDB: Largest compute 4848 load 0.026148 is 22.2% of average load 0.117777 LDB: Average compute 0.001729 is 1.5% of average load 0.117777 LDB: TIME 12001 LOAD: AVG 0.117777 MAX 0.178294 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.512 MB LDB: TIME 12001 LOAD: AVG 0.117777 MAX 0.178294 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.582 MB LDB: TIME 12001 LOAD: AVG 0.117777 MAX 0.178294 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.582 MB LDB: ============== END OF LOAD BALANCING =============== 12001 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001 PRESSURE: 4128400 -189.711 -269.647 200.822 -269.647 -227.584 -110.763 200.822 -110.764 -289.64 GPRESSURE: 4128400 -181.672 -301.78 200.747 -283.723 -107.892 -88.3477 251.852 -48.9982 -326.408 PRESSAVG: 4128400 -31.3048 -26.3791 5.67316 -26.3791 21.5596 -39.1543 5.67316 -39.1541 27.5388 GPRESSAVG: 4128400 -29.0437 -27.8102 4.495 -27.5 20.695 -39.6076 3.9367 -40.2716 26.0227 TIMING: 4128400 CPU: 11997.8, 0.00295237/step Wall: 11997.8, 0.00295237/step, 0.714801 hours remaining, 208.816406 MB of memory in use. ENERGY: 4128400 759.8601 2094.0019 1945.5128 108.5198 -205668.3419 17370.7042 0.0000 0.0000 34144.5758 -149245.1672 298.1931 -183389.7430 -149143.6277 298.8521 -235.6450 -205.3238 558245.0491 5.9312 5.8913 PRESSURE: 4128600 -5.61134 -97.6567 24.3009 -97.6551 62.6859 16.6782 24.3002 16.6783 -38.5658 GPRESSURE: 4128600 -23.0714 -96.4839 39.2545 -128.474 119.595 49.3336 41.2849 -3.19673 29.314 PRESSAVG: 4128600 32.4099 -21.8815 28.5723 -21.8814 5.0164 -2.51892 28.5723 -2.51899 -24.8429 GPRESSAVG: 4128600 31.0497 -22.4806 28.7642 -20.9475 5.79751 -2.84234 30.1799 -2.78392 -24.7835 TIMING: 4128600 CPU: 11998.4, 0.00288526/step Wall: 11998.4, 0.00288526/step, 0.698394 hours remaining, 209.019531 MB of memory in use. ENERGY: 4128600 721.2322 2063.4586 1943.5114 119.2962 -206186.3197 17875.2481 0.0000 0.0000 34345.5106 -149118.0627 299.9479 -183463.5732 -149018.2545 299.6421 6.1696 41.9460 557707.8616 4.1945 4.0213 PRESSURE: 4128800 -204.324 -71.6936 -111.355 -71.6926 148.133 14.191 -111.355 14.1905 -170.739 GPRESSURE: 4128800 -229.673 5.06799 -133.815 -46.1903 231.495 -24.1516 -160.749 25.5614 -134.229 PRESSAVG: 4128800 18.7063 -39.9091 -8.5904 -39.9091 34.884 -38.6887 -8.59036 -38.6888 -23.8915 GPRESSAVG: 4128800 17.8544 -38.4116 -8.63084 -43.6272 35.2625 -39.4124 -9.9645 -38.5274 -23.2181 TIMING: 4128800 CPU: 11998.9, 0.00287562/step Wall: 11998.9, 0.00287562/step, 0.6959 hours remaining, 209.019531 MB of memory in use. ENERGY: 4128800 719.9687 2092.2649 1927.4785 99.6606 -205846.8077 17677.3840 0.0000 0.0000 34175.3574 -149154.6935 298.4619 -183330.0509 -149065.3050 299.2313 -75.6432 -44.1357 557705.4195 9.8996 9.9663 PRESSURE: 4129000 -145.762 -18.0081 -4.61811 -18.0075 210.853 -5.08384 -4.61793 -5.0837 42.9639 GPRESSURE: 4129000 -86.4293 -33.8655 6.13762 10.0368 175.039 -45.3643 11.6374 88.6903 100.843 PRESSAVG: 4129000 31.0282 -33.9528 -25.9743 -33.9529 -42.4848 -62.9133 -25.9744 -62.9132 0.699916 GPRESSAVG: 4129000 31.6321 -33.844 -27.1696 -30.3286 -43.502 -62.7619 -25.6071 -63.5955 1.54826 TIMING: 4129000 CPU: 11999.5, 0.00287013/step Wall: 11999.5, 0.00287013/step, 0.694412 hours remaining, 209.019531 MB of memory in use. ENERGY: 4129000 760.3645 2055.8356 1951.2850 125.5424 -206590.6707 17949.5013 0.0000 0.0000 34508.2870 -149239.8549 301.3695 -183748.1419 -149142.3110 299.9002 36.0181 63.1510 558022.1515 -3.5856 -3.4406 PRESSURE: 4129200 60.8619 -8.87761 42.5855 -8.87704 155.181 -57.3844 42.5849 -57.3854 221.767 GPRESSURE: 4129200 156.413 -12.9009 -34.0086 66.0489 147.365 -5.29107 41.6358 -130.11 217.513 PRESSAVG: 4129200 39.0351 -9.10727 -46.769 -9.10715 11.1476 -49.8308 -46.7689 -49.8307 -46.6511 GPRESSAVG: 4129200 37.8354 -10.2547 -47.0164 -9.1003 12.8199 -50.4694 -47.108 -49.1901 -47.0683 TIMING: 4129200 CPU: 12000.1, 0.00287863/step Wall: 12000.1, 0.00287862/step, 0.696307 hours remaining, 209.019531 MB of memory in use. ENERGY: 4129200 717.5609 2120.2275 1978.2467 114.8122 -206440.5090 18038.1499 0.0000 0.0000 34390.1443 -149081.3675 300.3377 -183471.5117 -148979.9385 299.3991 145.9369 173.7638 556631.4180 1.1772 1.1957 PRESSURE: 4129400 -89.8889 145.526 165.009 145.525 -199.213 -59.9155 165.009 -59.9165 -177.993 GPRESSURE: 4129400 -38.3811 36.6067 76.3748 141.891 -218.072 76.4477 225.991 -198.945 -108.375 PRESSAVG: 4129400 25.2827 -4.34625 -1.97942 -4.3462 -33.6156 -22.8826 -1.97938 -22.8827 45.1152 GPRESSAVG: 4129400 27.0433 -5.91157 -3.62468 -4.58942 -34.4625 -19.7964 -0.307587 -24.4164 44.5263 TIMING: 4129400 CPU: 12000.7, 0.00288527/step Wall: 12000.7, 0.00288528/step, 0.697756 hours remaining, 209.019531 MB of memory in use. ENERGY: 4129400 740.6544 2125.8305 1958.4286 110.3511 -205981.9833 17619.2881 0.0000 0.0000 34301.9496 -149125.4810 299.5675 -183427.4306 -149031.7839 299.7568 -155.6983 -121.6091 558362.5160 12.2607 12.3691 PRESSURE: 4129600 -183.804 3.41923 -3.82254 3.4193 -96.6201 227.132 -3.82304 227.134 -18.7111 GPRESSURE: 4129600 -97.6169 43.2476 129.434 -51.4555 -108.826 199.203 -39.176 261.478 9.18859 PRESSAVG: 4129600 -47.0702 -38.622 -7.30534 -38.622 71.2796 -27.581 -7.30536 -27.581 -57.6364 GPRESSAVG: 4129600 -47.5488 -37.5435 -4.58864 -37.6157 70.8156 -29.1948 -8.59737 -27.1871 -56.8617 TIMING: 4129600 CPU: 12001.2, 0.00287917/step Wall: 12001.2, 0.00287917/step, 0.696119 hours remaining, 209.019531 MB of memory in use. ENERGY: 4129600 740.8467 2030.8784 1962.2342 111.7780 -205808.5967 17660.9438 0.0000 0.0000 34160.5676 -149141.3480 298.3327 -183301.9156 -149039.4286 299.1668 -99.7117 -65.7516 558501.3439 -11.1423 -11.1983 PRESSURE: 4129800 -307.37 -147.289 53.9047 -147.29 -32.2114 -76.4552 53.9056 -76.4544 -34.057 GPRESSURE: 4129800 -272.484 -113.337 169.433 -150.273 29.4359 -111.098 22.404 -53.8346 -36.205 PRESSAVG: 4129800 2.30065 -8.34295 10.6376 -8.343 -14.5374 36.5961 10.6376 36.596 -37.2917 GPRESSAVG: 4129800 2.27427 -6.78751 9.36356 -9.72047 -15.8068 35.9778 10.0619 38.2882 -36.9638 TIMING: 4129800 CPU: 12001.8, 0.00288414/step Wall: 12001.8, 0.00288413/step, 0.697159 hours remaining, 209.019531 MB of memory in use. ENERGY: 4129800 757.9927 2106.5078 1945.4927 116.7106 -205936.5067 17696.6296 0.0000 0.0000 34264.9283 -149048.2450 299.2441 -183313.1733 -148953.3378 299.8183 -124.5460 -93.0845 557038.7092 -16.5095 -16.8321 PRESSURE: 4130000 85.4285 13.8168 184.384 13.8182 218.575 48.7156 184.386 48.7151 -6.48569 GPRESSURE: 4130000 150.643 50.8003 241.46 69.2148 228.397 43.9254 177.985 8.522 10.6047 PRESSAVG: 4130000 -1.67247 -23.6083 44.6149 -23.6083 42.3772 0.194046 44.6149 0.193904 2.80205 GPRESSAVG: 4130000 -2.19511 -24.6884 43.7707 -22.6211 42.9117 2.68213 43.9069 -0.646913 2.35997 TIMING: 4130000 CPU: 12002.4, 0.00288447/step Wall: 12002.4, 0.00288447/step, 0.69708 hours remaining, 209.019531 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: 4130000 728.2117 2123.1449 1927.6072 109.5340 -206190.8131 17961.8889 0.0000 0.0000 34386.2193 -148954.2070 300.3034 -183340.4263 -148857.1694 300.2913 99.1725 129.8815 556499.5234 14.5023 14.3588 PRESSURE: 4130200 239.16 86.3491 67.9536 86.3483 191.711 10.5744 67.9554 10.5742 -116.978 GPRESSURE: 4130200 216.482 42.3856 75.8521 69.424 228.552 85.466 58.2689 -11.945 -50.021 PRESSAVG: 4130200 52.7452 18.3873 3.16768 18.3872 23.0184 -31.5474 3.16762 -31.5475 -56.2907 GPRESSAVG: 4130200 52.2959 20.8387 5.72122 14.4623 23.5036 -33.8947 4.32108 -32.9165 -56.4162 TIMING: 4130200 CPU: 12003, 0.00289035/step Wall: 12003, 0.00289035/step, 0.69834 hours remaining, 209.019531 MB of memory in use. ENERGY: 4130200 726.5097 2135.3848 1953.7224 114.2019 -206403.6427 18042.7770 0.0000 0.0000 34414.5292 -149016.5178 300.5506 -183431.0469 -148920.0757 300.4993 104.6312 131.6711 557192.8576 6.4910 6.4611 PRESSURE: 4130400 -514.895 125.43 83.638 125.429 -209.839 -24.5809 83.6387 -24.5832 -123.684 GPRESSURE: 4130400 -504.629 124.882 9.0164 123.501 -199.429 -30.5436 77.1294 -59.257 -39.845 PRESSAVG: 4130400 -21.8501 -67.0607 -26.3739 -67.0608 32.181 -44.038 -26.3739 -44.038 -22.429 GPRESSAVG: 4130400 -21.8084 -67.0232 -27.9639 -66.2854 32.8215 -43.5076 -26.1275 -40.1812 -23.3266 TIMING: 4130400 CPU: 12003.6, 0.00287314/step Wall: 12003.6, 0.00287314/step, 0.694022 hours remaining, 209.019531 MB of memory in use. ENERGY: 4130400 769.7159 2086.9362 1974.5933 110.5408 -205615.1860 17373.5918 0.0000 0.0000 34227.2224 -149072.5857 298.9148 -183299.8081 -148971.7333 299.6475 -282.8061 -247.9676 556937.4085 -4.0327 -4.1045 PRESSURE: 4130600 -76.1949 -110.95 71.0034 -110.95 -472.991 55.1966 71.0029 55.1951 104.645 GPRESSURE: 4130600 -66.8726 -49.9867 47.252 -106.226 -407.861 11.4484 97.8386 -8.96295 131.195 PRESSAVG: 4130600 25.7257 -84.5575 -19.4984 -84.5576 -53.0367 -4.53584 -19.4984 -4.53581 25.5884 GPRESSAVG: 4130600 26.175 -86.9853 -19.0201 -83.1577 -54.338 -2.56921 -19.1255 -8.48905 26.5137 TIMING: 4130600 CPU: 12004.1, 0.00288868/step Wall: 12004.1, 0.00288868/step, 0.697615 hours remaining, 209.019531 MB of memory in use. ENERGY: 4130600 728.1407 2068.7928 1941.6443 109.5313 -205843.4236 17583.2406 0.0000 0.0000 34311.1601 -149100.9137 299.6479 -183412.0739 -148997.3924 299.3761 -148.1802 -114.5126 558943.8115 -0.5742 -0.5498 PRESSURE: 4130800 207.498 -117.931 -61.968 -117.93 94.5232 -11.4629 -61.9683 -11.4618 -29.3246 GPRESSURE: 4130800 235.248 -162.263 -58.2755 -145.736 64.6534 -27.1097 -51.2009 41.8196 53.462 PRESSAVG: 4130800 -0.369586 28.1782 -63.2982 28.1782 -40.7992 6.37059 -63.2982 6.37061 35.712 GPRESSAVG: 4130800 0.471839 30.9643 -64.2564 26.0196 -41.131 4.46229 -63.6885 7.98478 35.0872 TIMING: 4130800 CPU: 12004.7, 0.00289065/step Wall: 12004.7, 0.00289065/step, 0.697932 hours remaining, 209.019531 MB of memory in use. ENERGY: 4130800 731.2646 2080.4719 1955.3247 128.2669 -205952.7707 17825.5442 0.0000 0.0000 34211.0027 -149020.8958 298.7732 -183231.8985 -148919.7438 299.3633 90.8989 117.7877 557403.0116 -1.8190 -1.8573 PRESSURE: 4131000 48.3174 -52.2557 -19.6543 -52.2558 -68.6015 96.3294 -19.6532 96.3285 -190.808 GPRESSURE: 4131000 54.0466 -24.0819 -14.3708 -43.9533 -19.7596 155.216 -2.5389 109.85 -139.36 PRESSAVG: 4131000 29.3175 19.0021 18.7159 19.0021 -6.91518 25.7613 18.7159 25.7612 -11.8472 GPRESSAVG: 4131000 28.4156 17.2956 19.2755 20.8486 -6.71623 26.5388 20.4478 24.4089 -11.2152 TIMING: 4131000 CPU: 12005.3, 0.00286842/step Wall: 12005.3, 0.00286842/step, 0.692404 hours remaining, 209.089844 MB of memory in use. ENERGY: 4131000 734.8494 2070.2748 1961.2331 117.8088 -205844.3849 17625.0458 0.0000 0.0000 34382.5629 -148952.6101 300.2715 -183335.1730 -148857.0219 300.4745 -70.3640 -35.0242 556830.0569 3.5184 3.4947 PRESSURE: 4131200 -42.9235 -54.7106 36.0773 -54.7111 -230.439 -0.40785 36.0773 -0.405165 -89.4298 GPRESSURE: 4131200 -30.6666 -67.9325 114.249 -36.3835 -235.913 -1.27087 15.4527 16.2186 -1.11137 PRESSAVG: 4131200 -2.95173 16.7774 54.3164 16.7774 14.638 12.6165 54.3164 12.6166 -64.8407 GPRESSAVG: 4131200 -3.06328 15.3592 57.8451 15.9152 14.1992 12.6336 51.2144 12.8497 -64.2679 TIMING: 4131200 CPU: 12005.9, 0.00286915/step Wall: 12005.9, 0.00286915/step, 0.692422 hours remaining, 209.089844 MB of memory in use. ENERGY: 4131200 737.0417 2081.1976 1971.6229 122.4878 -205761.9352 17635.5202 0.0000 0.0000 34303.3624 -148910.7026 299.5798 -183214.0650 -148815.6019 299.1679 -120.9307 -89.2303 558044.3867 -17.7182 -17.7107 PRESSURE: 4131400 122.408 -120.073 -138.008 -120.072 -28.5164 -39.5724 -138.008 -39.5733 125.347 GPRESSURE: 4131400 201.747 9.79585 -79.6818 -107.681 -6.42784 -28.1276 -99.5285 62.4215 122.322 PRESSAVG: 4131400 4.25169 36.0967 42.7614 36.0967 32.2566 13.3975 42.7614 13.3976 13.5583 GPRESSAVG: 4131400 4.24522 38.005 40.088 36.1457 33.4596 12.0655 44.5366 14.7714 11.7734 TIMING: 4131400 CPU: 12006.4, 0.00288085/step Wall: 12006.4, 0.00288085/step, 0.695084 hours remaining, 209.089844 MB of memory in use. ENERGY: 4131400 758.3309 2079.3325 1971.8691 106.6424 -205730.3532 17667.0677 0.0000 0.0000 34394.7866 -148752.3239 300.3782 -183147.1105 -148659.4061 300.2253 73.0797 105.8806 557116.4245 16.6889 16.4927 PRESSURE: 4131600 -172.038 37.6082 -48.58 37.6069 -71.3579 -19.6348 -48.5813 -19.6352 -43.2994 GPRESSURE: 4131600 -117.11 108.248 -13.8934 10.2972 -36.6333 -45.8646 -15.9052 -23.2266 -37.0266 PRESSAVG: 4131600 74.2273 13.827 16.8818 13.8269 0.694073 13.0414 16.8818 13.0413 -8.24004 GPRESSAVG: 4131600 75.0468 13.0031 15.5468 14.2934 -0.311133 12.0241 15.9303 13.3323 -7.60177 TIMING: 4131600 CPU: 12007, 0.00286764/step Wall: 12007, 0.00286764/step, 0.691738 hours remaining, 209.089844 MB of memory in use. ENERGY: 4131600 740.7074 2064.9277 1950.5246 110.9863 -205615.3603 17624.4539 0.0000 0.0000 34388.1357 -148735.6247 300.3201 -183123.7603 -148638.8790 300.4753 -95.5650 -63.5901 558608.0405 22.2271 22.3780 PRESSURE: 4131800 -46.034 112.893 -140.963 112.892 -104.308 91.7341 -140.963 91.7334 -91.6184 GPRESSURE: 4131800 3.80871 173.783 -231.08 92.2581 -60.1921 99.474 -160.683 14.8123 -102.141 PRESSAVG: 4131800 2.34064 20.1218 -35.7808 20.122 0.22666 -11.2705 -35.7807 -11.2705 22.2479 GPRESSAVG: 4131800 0.615708 21.4176 -33.4822 19.6828 1.95819 -10.8488 -36.9812 -10.0179 22.6405 TIMING: 4131800 CPU: 12007.6, 0.00289197/step Wall: 12007.6, 0.00289197/step, 0.697447 hours remaining, 209.089844 MB of memory in use. ENERGY: 4131800 736.4378 2129.8978 1964.9417 120.2569 -205775.0774 17623.7718 0.0000 0.0000 34364.5978 -148835.1735 300.1146 -183199.7713 -148740.1891 300.0124 -80.6533 -52.8415 556949.7122 8.2717 8.4048 PRESSURE: 4132000 -42.8905 -69.3398 158.533 -69.3404 1.73899 -26.1117 158.532 -26.1125 -224.474 GPRESSURE: 4132000 43.5533 -43.7916 186.794 -95.4835 2.48722 30.7176 113.803 -34.2917 -219.181 PRESSAVG: 4132000 59.78 -29.4554 -15.4969 -29.4554 -24.2664 -66.3755 -15.4968 -66.3754 -8.46275 GPRESSAVG: 4132000 60.4952 -29.9189 -17.8421 -28.9168 -24.6382 -63.862 -12.4805 -69.0593 -8.62127 TIMING: 4132000 CPU: 12008.2, 0.00289645/step Wall: 12008.2, 0.00289645/step, 0.698366 hours remaining, 209.089844 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: 4132000 735.8285 2087.7850 1979.9919 118.1820 -205885.8973 17646.9228 0.0000 0.0000 34434.0916 -148883.0956 300.7215 -183317.1872 -148787.4218 300.0364 -88.5419 -57.7134 556637.7957 9.0170 9.0786 PRESSURE: 4132200 59.5342 8.63007 -86.3784 8.6306 -64.0358 -64.332 -86.3797 -64.3323 -111.743 GPRESSURE: 4132200 128.468 50.9341 -125.851 129.749 -98.4257 -32.0824 -28.8395 -57.4015 -41.2332 PRESSAVG: 4132200 40.1831 -8.11545 5.44145 -8.11538 -13.044 -27.7594 5.44135 -27.7593 3.81653 GPRESSAVG: 4132200 39.3363 -8.89874 6.81273 -6.04396 -12.6486 -28.9064 2.85121 -25.562 4.46021 TIMING: 4132200 CPU: 12008.7, 0.00288756/step Wall: 12008.7, 0.00288756/step, 0.696062 hours remaining, 209.089844 MB of memory in use. ENERGY: 4132200 737.0422 2106.9082 1976.7478 128.9923 -205869.3329 17618.9810 0.0000 0.0000 34560.1936 -148740.4678 301.8228 -183300.6614 -148644.9378 300.5778 -38.7483 -3.7303 557085.2368 10.3185 10.3827 LDB: ============= START OF LOAD BALANCING ============== 12012.2 LDB: ============== END OF LOAD BALANCING =============== 12012.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12012.2 LDB: ============= START OF LOAD BALANCING ============== 12012.5 LDB: Largest compute 4848 load 0.027076 is 23.0% of average load 0.117851 LDB: Average compute 0.001733 is 1.5% of average load 0.117851 LDB: TIME 12012.5 LOAD: AVG 0.117851 MAX 0.177746 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 12012.5 LOAD: AVG 0.117851 MAX 0.177746 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: TIME 12012.5 LOAD: AVG 0.117851 MAX 0.177746 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.91 MB LDB: ============== END OF LOAD BALANCING =============== 12012.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12012.5 PRESSURE: 4132400 -202.098 72.3448 12.1875 72.3453 43.9994 -30.053 12.188 -30.0527 -181.115 GPRESSURE: 4132400 -158.813 79.4341 39.1235 55.5269 58.7334 -32.4833 62.9042 -73.7947 -149.925 PRESSAVG: 4132400 31.4788 27.0273 -29.7752 27.0273 -4.39441 19.1147 -29.7752 19.1147 -8.82598 GPRESSAVG: 4132400 32.5365 25.8994 -28.5535 25.2656 -4.14927 19.196 -30.6335 16.3638 -10.1655 TIMING: 4132400 CPU: 12009.3, 0.00294707/step Wall: 12009.3, 0.00294707/step, 0.710244 hours remaining, 207.578125 MB of memory in use. ENERGY: 4132400 776.2957 2085.4831 1973.8687 125.9765 -206064.0413 17773.9523 0.0000 0.0000 34465.8623 -148862.6027 300.9989 -183328.4650 -148764.6517 300.3860 -113.0712 -83.3350 558163.5178 6.0861 6.0739 PRESSURE: 4132600 -31.1411 42.0414 264.112 42.0404 -175.306 135.656 264.113 135.657 -161.21 GPRESSURE: 4132600 -17.3909 70.2549 285.449 35.1483 -130.825 179.537 181.776 140.351 -131.75 PRESSAVG: 4132600 -17.1285 32.4215 47.0438 32.4216 54.1753 -38.1439 47.0438 -38.1439 -16.8556 GPRESSAVG: 4132600 -17.1669 33.2925 45.0985 33.1248 52.5578 -37.3168 49.1539 -38.6979 -15.9696 TIMING: 4132600 CPU: 12009.9, 0.00286901/step Wall: 12009.9, 0.00286901/step, 0.691273 hours remaining, 208.039062 MB of memory in use. ENERGY: 4132600 753.5095 2088.8127 1963.9652 113.3628 -205585.6034 17489.6464 0.0000 0.0000 34514.5741 -148661.7327 301.4244 -183176.3068 -148567.3078 301.3145 -122.5526 -93.3218 558538.1913 6.7304 6.4738 PRESSURE: 4132800 156.844 -164.465 -72.7853 -164.466 -12.9472 0.568502 -72.7847 0.566546 30.8667 GPRESSURE: 4132800 205.89 -228.112 -36.0654 -119.618 24.7119 -6.02632 -82.4678 -60.296 28.8822 PRESSAVG: 4132800 90.0047 -4.81524 5.45793 -4.81529 -25.7781 -12.7911 5.45801 -12.7911 -71.6268 GPRESSAVG: 4132800 89.3466 -5.14529 6.23609 -6.13741 -23.5739 -13.8658 5.78671 -12.0199 -73.447 TIMING: 4132800 CPU: 12010.5, 0.00288955/step Wall: 12010.5, 0.00288955/step, 0.696061 hours remaining, 208.039062 MB of memory in use. ENERGY: 4132800 734.5525 2123.7187 1961.4836 120.0971 -205826.1592 17795.1607 0.0000 0.0000 34304.5723 -148786.5743 299.5904 -183091.1466 -148688.5138 301.0523 58.2546 86.4948 557664.4107 -2.4667 -2.5581 PRESSURE: 4133000 -281.286 -101.03 -110.739 -101.03 -135.926 -19.3106 -110.739 -19.3102 -46.9283 GPRESSURE: 4133000 -299.875 -173.122 -106.713 -150.775 -57.9705 12.5629 -52.0551 -78.5819 -14.2962 PRESSAVG: 4133000 27.7984 -40.1191 -23.3196 -40.1191 19.2613 -43.2076 -23.3197 -43.2076 -20.8571 GPRESSAVG: 4133000 27.7699 -40.3005 -22.8772 -40.5576 17.998 -41.9214 -22.9731 -43.6649 -19.6925 TIMING: 4133000 CPU: 12011.1, 0.00289808/step Wall: 12011.1, 0.00289808/step, 0.697955 hours remaining, 208.039062 MB of memory in use. ENERGY: 4133000 741.1183 2078.3718 1968.9752 93.9080 -205332.3750 17534.8889 0.0000 0.0000 34245.8996 -148669.2133 299.0780 -182915.1128 -148559.6611 300.8401 -154.7137 -124.0472 559605.1533 8.7342 8.6918 PRESSURE: 4133200 -462.533 -4.31705 -124.515 -4.31593 -105.733 37.4501 -124.515 37.4499 -142.591 GPRESSURE: 4133200 -368.18 41.3746 -149.28 -16.4993 -91.5355 96.9729 -51.6373 81.0965 -158.78 PRESSAVG: 4133200 -11.1853 -14.6928 55.4171 -14.6928 -0.790745 31.2598 55.4169 31.2598 35.5516 GPRESSAVG: 4133200 -11.0193 -13.2892 54.4683 -12.4573 -1.23169 31.6165 55.674 31.7359 35.8645 TIMING: 4133200 CPU: 12011.6, 0.00290289/step Wall: 12011.6, 0.00290289/step, 0.698952 hours remaining, 208.039062 MB of memory in use. ENERGY: 4133200 766.2968 2098.6688 1968.2852 129.5003 -205555.9681 17379.6188 0.0000 0.0000 34379.2611 -148834.3371 300.2426 -183213.5982 -148738.8823 299.9074 -236.9520 -206.1652 558344.7438 7.8585 7.8712 PRESSURE: 4133400 139.873 264.887 17.8343 264.886 -125.317 -79.8543 17.8343 -79.8534 -214.538 GPRESSURE: 4133400 172.084 187.867 44.1811 316.823 -141.492 -16.9496 32.7108 -101.861 -137.897 PRESSAVG: 4133400 -28.3504 27.4176 5.55244 27.4176 18.6217 -26.0064 5.55248 -26.0064 -2.671 GPRESSAVG: 4133400 -28.2758 26.5765 6.16048 26.3746 18.3011 -26.0911 3.25624 -24.5851 -2.46708 TIMING: 4133400 CPU: 12012.2, 0.0028922/step Wall: 12012.2, 0.0028922/step, 0.696217 hours remaining, 208.039062 MB of memory in use. ENERGY: 4133400 746.1135 2091.8824 1978.4376 108.4647 -205998.7990 17824.7838 0.0000 0.0000 34569.4809 -148679.6361 301.9039 -183249.1170 -148578.6880 300.6700 -66.6606 -35.7682 558552.6363 -4.1333 -4.1473 PRESSURE: 4133600 128.044 71.9405 -101.189 71.9402 75.3229 190.085 -101.188 190.086 -118.615 GPRESSURE: 4133600 139.34 167.62 -192.627 -32.5838 102.531 173.436 -86.6584 86.0085 -60.8466 PRESSAVG: 4133600 -76.4108 3.44938 2.43851 3.44942 71.983 -13.1716 2.43859 -13.1716 20.8449 GPRESSAVG: 4133600 -77.5003 4.38593 0.859362 3.29635 72.8533 -16.1184 5.05377 -10.7407 20.7988 TIMING: 4133600 CPU: 12012.8, 0.00290144/step Wall: 12012.8, 0.00290144/step, 0.69828 hours remaining, 208.039062 MB of memory in use. ENERGY: 4133600 710.5995 2077.3465 1959.8218 104.1134 -205892.9008 17763.5727 0.0000 0.0000 34379.4223 -148898.0245 300.2440 -183277.4468 -148801.6581 300.6085 28.2507 60.3414 557610.4910 5.4724 5.3839 PRESSURE: 4133800 134.473 -93.9929 90.4796 -93.992 126.686 -27.1244 90.4778 -27.1242 107.687 GPRESSURE: 4133800 127.647 -173.841 84.263 -106.416 142.391 -78.6204 71.6897 -53.2646 203.851 PRESSAVG: 4133800 17.3205 9.02316 -26.841 9.02313 0.0163213 -44.8951 -26.8409 -44.8951 18.2845 GPRESSAVG: 4133800 17.9986 8.10053 -26.6111 9.57994 -1.32664 -42.6684 -26.789 -46.8665 18.8729 TIMING: 4133800 CPU: 12013.4, 0.00287076/step Wall: 12013.4, 0.00287076/step, 0.690736 hours remaining, 208.039062 MB of memory in use. ENERGY: 4133800 720.2463 2129.8744 1976.2257 108.1480 -206092.8556 17892.5708 0.0000 0.0000 34356.8826 -148908.9079 300.0472 -183265.7904 -148812.0790 299.7316 122.9484 157.9627 557658.1347 11.8738 11.8483 PRESSURE: 4134000 -291.989 69.2815 124.934 69.2812 294.126 -113.895 124.935 -113.895 -94.4487 GPRESSURE: 4134000 -243.679 117.517 190.482 36.4243 291.135 -91.4319 28.9626 -119.202 -35.2122 PRESSAVG: 4134000 -30.3334 -13.613 32.8237 -13.613 15.3474 13.0841 32.8237 13.0841 7.39734 GPRESSAVG: 4134000 -29.3671 -13.6905 33.8637 -14.9038 16.0419 13.1785 31.7341 12.5964 5.45826 TIMING: 4134000 CPU: 12014, 0.0028894/step Wall: 12014, 0.0028894/step, 0.69506 hours remaining, 208.039062 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: 4134000 752.2807 2140.4705 1949.9916 129.6359 -205981.4763 17654.7961 0.0000 0.0000 34279.3065 -149074.9950 299.3697 -183354.3014 -148980.4771 299.9782 -30.7707 4.0811 557795.8990 -2.5295 -2.6223 PRESSURE: 4134200 -171.016 7.90564 122.335 7.9048 39.0617 -67.371 122.334 -67.3708 -39.0425 GPRESSURE: 4134200 -113.893 54.9757 120.725 59.7615 56.4755 -36.7437 102.163 29.2912 -28.6815 PRESSAVG: 4134200 37.1515 3.5788 55.7047 3.57868 0.345775 13.9059 55.7048 13.9059 -47.1475 GPRESSAVG: 4134200 35.9038 3.63113 54.5677 5.49624 0.383266 13.8931 55.9073 16.5214 -45.678 TIMING: 4134200 CPU: 12014.5, 0.00288341/step Wall: 12014.5, 0.00288341/step, 0.69346 hours remaining, 208.109375 MB of memory in use. ENERGY: 4134200 715.9714 2085.9814 1957.9454 97.9373 -205835.6141 17661.4760 0.0000 0.0000 34349.3388 -148966.9638 299.9813 -183316.3026 -148868.5761 299.8964 -56.9990 -28.6997 559429.3206 -3.2167 -3.1303 PRESSURE: 4134400 97.92 -82.0556 92.9608 -82.055 -195.715 119.895 92.9607 119.894 113.507 GPRESSURE: 4134400 176.431 -181.643 100.552 45.4467 -165.705 94.0442 153.498 119.455 99.0553 PRESSAVG: 4134400 10.6827 6.57118 61.9623 6.57113 21.9062 29.6498 61.9623 29.6498 6.2058 GPRESSAVG: 4134400 11.3307 6.51031 63.7872 6.13233 21.1537 29.8015 61.5387 25.7575 6.59133 TIMING: 4134400 CPU: 12015.1, 0.00290627/step Wall: 12015.1, 0.00290627/step, 0.698797 hours remaining, 208.109375 MB of memory in use. ENERGY: 4134400 737.3011 2130.0244 1980.9791 121.1347 -205954.8616 17828.3967 0.0000 0.0000 34047.9090 -149109.1167 297.3489 -183157.0256 -149009.4369 300.4230 5.2374 36.5937 558971.6985 12.9316 13.0252 PRESSURE: 4134600 -51.2417 107.971 -26.5625 107.973 92.9084 -262.337 -26.562 -262.338 -60.7375 GPRESSURE: 4134600 -63.5432 76.0373 -38.8797 151.775 126.621 -244.349 -43.0161 -305.361 13.6558 PRESSAVG: 4134600 20.9248 -25.9258 49.4414 -25.9258 -9.46884 2.94257 49.4415 2.94246 21.8873 GPRESSAVG: 4134600 20.7712 -25.3131 47.707 -26.2353 -8.54545 3.34652 49.3722 5.0859 21.1375 TIMING: 4134600 CPU: 12015.7, 0.00290278/step Wall: 12015.7, 0.00290278/step, 0.697796 hours remaining, 208.109375 MB of memory in use. ENERGY: 4134600 705.0524 2127.5930 1969.6432 109.4058 -206135.5258 17819.8866 0.0000 0.0000 34248.2179 -149155.7269 299.0982 -183403.9448 -149060.3613 299.2176 -6.3569 25.5778 558122.3460 11.1144 11.1211 PRESSURE: 4134800 137.144 -63.6198 -28.2148 -63.6205 -303.497 -78.4473 -28.2147 -78.4462 -64.3817 GPRESSURE: 4134800 108.532 -78.597 -45.0498 -88.5582 -210.829 -35.5042 -10.8884 -122.977 -19.4201 PRESSAVG: 4134800 -10.6129 17.1663 2.17013 17.1662 -31.2164 -9.49293 2.17027 -9.4929 26.4978 GPRESSAVG: 4134800 -10.2742 14.8166 2.23633 17.5243 -30.7129 -10.0851 1.88844 -10.6092 26.0241 TIMING: 4134800 CPU: 12016.3, 0.0028893/step Wall: 12016.3, 0.0028893/step, 0.694394 hours remaining, 208.109375 MB of memory in use. ENERGY: 4134800 744.0807 2117.8346 1955.4270 124.2355 -206089.9469 17897.5675 0.0000 0.0000 34262.1561 -148988.6454 299.2199 -183250.8016 -148894.7938 300.0415 -76.9116 -40.5723 557884.9955 -5.1105 -4.9876 PRESSURE: 4135000 -194.288 -149.153 -58.0565 -149.153 -241.473 57.8124 -58.0572 57.8128 -1.12984 GPRESSURE: 4135000 -122.806 -125.948 -90.1309 -96.8567 -183.755 9.73531 -137.621 136.052 -21.238 PRESSAVG: 4135000 -14.4728 -24.1484 5.74227 -24.1484 -19.1736 56.6421 5.74226 56.6421 26.5997 GPRESSAVG: 4135000 -14.1947 -22.2075 9.24133 -25.9999 -18.0355 57.4554 5.72685 57.023 26.1014 TIMING: 4135000 CPU: 12016.8, 0.00289738/step Wall: 12016.8, 0.00289738/step, 0.696177 hours remaining, 208.109375 MB of memory in use. ENERGY: 4135000 737.9409 2115.2142 1928.6537 121.1992 -206137.5485 17652.2711 0.0000 0.0000 34335.5702 -149246.6993 299.8611 -183582.2695 -149146.8557 299.8710 -145.6303 -109.2664 557942.3729 -2.3489 -2.0429 PRESSURE: 4135200 70.3666 72.2659 60.3255 72.266 -65.3167 -85.8375 60.3268 -85.8371 24.1179 GPRESSURE: 4135200 114.384 64.8219 1.94207 86.6991 -74.7641 -76.7192 149.932 -152.661 88.6353 PRESSAVG: 4135200 -27.6178 -21.9782 50.5823 -21.9782 -26.3307 -33.8975 50.5824 -33.8976 39.0574 GPRESSAVG: 4135200 -27.523 -22.5516 49.0154 -21.879 -27.7244 -35.2919 49.4167 -32.9655 40.7196 TIMING: 4135200 CPU: 12017.4, 0.00288249/step Wall: 12017.4, 0.00288249/step, 0.692439 hours remaining, 208.109375 MB of memory in use. ENERGY: 4135200 785.4788 2139.4878 1959.0221 122.3244 -206246.6215 17778.3087 0.0000 0.0000 34174.6310 -149287.3687 298.4556 -183461.9997 -149195.3078 299.7104 9.7226 42.7518 557975.8124 -4.9637 -4.8426 PRESSURE: 4135400 -63.6512 254.712 15.893 254.711 -84.8474 266.817 15.8948 266.814 92.8506 GPRESSURE: 4135400 -34.1026 264.62 -8.36396 221.798 -4.71576 167.789 26.4729 423.817 70.4824 PRESSAVG: 4135400 37.9761 -8.88712 -12.8194 -8.88715 -34.8528 10.8012 -12.8194 10.8012 10.7726 GPRESSAVG: 4135400 37.0158 -9.07309 -14.2683 -8.71473 -33.6016 9.18972 -12.1209 12.3212 10.5992 TIMING: 4135400 CPU: 12018, 0.00286766/step Wall: 12018, 0.00286766/step, 0.688717 hours remaining, 208.109375 MB of memory in use. ENERGY: 4135400 720.0325 2153.8852 1985.0168 120.9582 -206134.2798 17700.7321 0.0000 0.0000 34190.9255 -149262.7294 298.5979 -183453.6549 -149170.9888 299.3014 -18.5493 10.5547 557610.4992 4.6320 4.6711 PRESSURE: 4135600 -180.635 25.7986 -188.112 25.7984 -23.2243 -10.5023 -188.112 -10.5033 78.545 GPRESSURE: 4135600 -122.156 -39.0118 -137.982 45.439 -34.1743 -21.7809 -217.697 -20.1712 122.907 PRESSAVG: 4135600 -4.21508 -5.93283 11.7332 -5.93275 16.796 19.4985 11.7331 19.4984 0.900729 GPRESSAVG: 4135600 -3.2757 -7.00272 11.2402 -4.26923 16.4589 19.547 11.1787 17.7685 0.649632 TIMING: 4135600 CPU: 12018.6, 0.00287959/step Wall: 12018.6, 0.00287959/step, 0.691423 hours remaining, 208.109375 MB of memory in use. ENERGY: 4135600 745.7674 2150.2853 1967.7163 121.3487 -206527.4292 18060.7610 0.0000 0.0000 34100.9385 -149380.6120 297.8120 -183481.5505 -149279.4615 298.6420 -41.7715 -11.1413 559290.1433 4.4939 4.6110 PRESSURE: 4135800 -140.314 -16.7916 -59.5312 -16.7912 -96.7411 -26.2799 -59.5322 -26.28 -38.0353 GPRESSURE: 4135800 -82.1208 -54.5899 -105.623 -16.4034 -89.8923 17.3187 -77.2084 -111.272 -2.79459 PRESSAVG: 4135800 12.9685 -9.99582 -68.71 -9.99582 -44.1741 25.3579 -68.7101 25.3578 42.4887 GPRESSAVG: 4135800 12.5252 -7.32918 -68.9164 -11.676 -45.1199 25.8136 -66.4198 25.0851 44.4805 TIMING: 4135800 CPU: 12019.2, 0.00288057/step Wall: 12019.2, 0.00288057/step, 0.691496 hours remaining, 208.109375 MB of memory in use. ENERGY: 4135800 744.6390 2131.7049 1966.3308 114.2186 -206221.7347 17747.2303 0.0000 0.0000 34178.2358 -149339.3753 298.4870 -183517.6111 -149241.8278 299.0643 -91.6968 -58.2692 558061.1803 3.7610 3.9620 PRESSURE: 4136000 -259.253 -53.5445 -95.4671 -53.5453 47.1966 8.04076 -95.4677 8.0415 -117.622 GPRESSURE: 4136000 -214.832 -29.9056 -59.8179 -136.037 34.3275 -58.5317 -54.4609 64.2109 -55.362 PRESSAVG: 4136000 -12.3725 9.98942 4.98408 9.98949 -6.69078 18.1214 4.98411 18.1212 25.4099 GPRESSAVG: 4136000 -12.7452 9.792 6.98741 9.41945 -5.00451 17.2207 5.73091 19.205 24.474 TIMING: 4136000 CPU: 12019.7, 0.0028892/step Wall: 12019.7, 0.0028892/step, 0.693408 hours remaining, 208.109375 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: 4136000 763.2665 2107.3330 1944.8427 106.0239 -206088.2535 17845.2387 0.0000 0.0000 33978.3220 -149343.2267 296.7411 -183321.5487 -149254.1800 298.9509 -109.8930 -78.6222 559724.1150 2.1155 2.2414 PRESSURE: 4136200 -171.715 -96.1305 -50.6345 -96.1298 14.8913 31.8539 -50.6348 31.8557 49.6333 GPRESSURE: 4136200 -134.875 -86.4029 -43.0222 -103.337 61.3912 -43.104 -104.927 55.1277 56.9248 PRESSAVG: 4136200 51.6396 -46.5461 -16.9562 -46.5461 -43.2436 -15.6025 -16.9562 -15.6023 31.6991 GPRESSAVG: 4136200 53.36 -47.0392 -16.8249 -45.9489 -43.9561 -13.389 -19.0939 -15.6971 30.7866 TIMING: 4136200 CPU: 12020.3, 0.0028721/step Wall: 12020.3, 0.0028721/step, 0.689145 hours remaining, 208.109375 MB of memory in use. ENERGY: 4136200 768.5972 2094.8373 1945.6882 110.6993 -206286.8852 17892.5016 0.0000 0.0000 34167.3914 -149307.1701 298.3923 -183474.5614 -149202.0818 299.8929 -35.7301 -5.5195 557564.9893 13.3651 13.3968 LDB: ============= START OF LOAD BALANCING ============== 12023.8 LDB: ============== END OF LOAD BALANCING =============== 12023.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12023.8 LDB: ============= START OF LOAD BALANCING ============== 12024.1 LDB: Largest compute 4848 load 0.027556 is 23.4% of average load 0.117843 LDB: Average compute 0.001733 is 1.5% of average load 0.117843 LDB: TIME 12024.1 LOAD: AVG 0.117843 MAX 0.17732 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 12024.1 LOAD: AVG 0.117843 MAX 0.17732 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 12024.1 LOAD: AVG 0.117843 MAX 0.17732 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12024.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12024.1 PRESSURE: 4136400 297.094 -144.175 148.347 -144.176 -69.1989 -57.8747 148.347 -57.8735 -352.621 GPRESSURE: 4136400 293.289 -146.796 180.846 -107.575 -9.20236 -79.0453 156.488 -183.001 -323.879 PRESSAVG: 4136400 -2.4448 -0.532402 16.3282 -0.532358 -3.3929 -17.7491 16.3282 -17.7491 -5.9137 GPRESSAVG: 4136400 -1.7825 0.190655 15.451 0.00772358 -4.45404 -19.1958 17.9995 -17.9051 -5.08692 TIMING: 4136400 CPU: 12020.9, 0.00293153/step Wall: 12020.9, 0.00293153/step, 0.70324 hours remaining, 208.183594 MB of memory in use. ENERGY: 4136400 762.3424 2098.3990 1959.6121 108.6201 -206120.5456 17657.7967 0.0000 0.0000 34321.1531 -149212.6223 299.7352 -183533.7754 -149117.8796 299.3428 -41.5752 -13.2640 556925.4069 -3.9171 -3.7745 PRESSURE: 4136600 17.7004 -21.217 -65.9115 -21.2172 -59.2412 47.3812 -65.9108 47.3826 89.537 GPRESSURE: 4136600 29.7907 41.8278 -78.2877 -106.915 -43.8645 -31.7875 -21.3759 122.549 158.392 PRESSAVG: 4136600 35.6996 -5.5507 35.6227 -5.55063 13.4981 60.7128 35.6226 60.7128 -20.0902 GPRESSAVG: 4136600 35.1854 -6.73478 36.6384 -6.87327 14.106 60.8969 32.9387 61.4767 -20.0668 TIMING: 4136600 CPU: 12021.5, 0.00288964/step Wall: 12021.5, 0.00288964/step, 0.693033 hours remaining, 208.425781 MB of memory in use. ENERGY: 4136600 750.1554 2062.9711 1961.5437 107.3560 -205810.9010 17787.9161 0.0000 0.0000 33956.8267 -149184.1320 296.5534 -183140.9587 -149085.2595 299.3990 15.9987 48.1062 556631.4050 9.7025 9.7415 PRESSURE: 4136800 142.446 -72.3944 -7.70108 -72.3955 -189.181 -46.5192 -7.70049 -46.5177 1.99249 GPRESSURE: 4136800 131.475 -130.968 32.6873 -103.596 -106.034 5.85883 -33.866 55.793 13.901 PRESSAVG: 4136800 40.9349 -28.6038 -35.5124 -28.6039 13.9108 3.90538 -35.5124 3.90544 -39.4041 GPRESSAVG: 4136800 40.5976 -27.4115 -38.3358 -27.9205 14.1325 7.43102 -35.2007 2.32507 -39.4873 TIMING: 4136800 CPU: 12022, 0.00288798/step Wall: 12022, 0.00288798/step, 0.692473 hours remaining, 208.425781 MB of memory in use. ENERGY: 4136800 753.6707 2088.9434 1934.4112 122.5582 -205570.9522 17564.7832 0.0000 0.0000 34094.5217 -149012.0637 297.7559 -183106.5854 -148920.7840 298.8703 -14.9142 13.1140 556823.2996 5.1472 5.0809 PRESSURE: 4137000 -139.778 22.7293 53.5712 22.7293 -98.7282 24.9126 53.5708 24.9129 -403.493 GPRESSURE: 4137000 -115.582 -27.2086 28.3582 90.9805 -77.9422 -42.6029 89.1838 -5.3551 -366.74 PRESSAVG: 4137000 66.2448 35.5026 -39.8157 35.5026 -8.93956 3.52927 -39.8158 3.52922 -31.4198 GPRESSAVG: 4137000 67.5618 34.4101 -41.1393 37.0412 -9.50602 -0.323896 -37.5111 4.5515 -31.8666 TIMING: 4137000 CPU: 12022.6, 0.00288564/step Wall: 12022.6, 0.00288564/step, 0.691752 hours remaining, 208.425781 MB of memory in use. ENERGY: 4137000 772.3001 2156.9881 1950.0397 112.1345 -205594.8281 17432.5958 0.0000 0.0000 33983.9743 -149186.7955 296.7905 -183170.7699 -149095.5154 299.3915 -213.9999 -186.7547 556530.7129 8.6285 8.7297 PRESSURE: 4137200 97.9883 -42.499 -124.376 -42.498 59.7326 -67.6503 -124.375 -67.6501 62.0174 GPRESSURE: 4137200 183.844 -105.023 -183.651 -53.0561 42.6861 -27.9148 -123.491 -142.484 89.8277 PRESSAVG: 4137200 51.27 -33.7803 -35.137 -33.7803 -47.0019 -34.7219 -35.137 -34.7218 -0.197899 GPRESSAVG: 4137200 51.1809 -34.7763 -32.8679 -34.2709 -47.9491 -33.8455 -36.3082 -33.0351 1.09474 TIMING: 4137200 CPU: 12023.2, 0.0028867/step Wall: 12023.2, 0.0028867/step, 0.691845 hours remaining, 208.425781 MB of memory in use. ENERGY: 4137200 741.9170 2113.1699 1948.4122 118.9348 -206159.7410 17800.7028 0.0000 0.0000 34479.4213 -148957.1830 301.1174 -183436.6043 -148861.0745 299.6340 73.2461 105.4526 556670.8972 1.3567 1.4422 PRESSURE: 4137400 -200.017 -120.061 61.8179 -120.06 167.64 -17.8471 61.818 -17.8494 124.056 GPRESSURE: 4137400 -95.7223 -71.6809 45.4335 -130.769 152.502 -70.0276 45.8662 87.8655 136.525 PRESSAVG: 4137400 45.1963 -7.96906 -64.2097 -7.96914 -10.2396 -4.3489 -64.2097 -4.34901 19.5951 GPRESSAVG: 4137400 44.574 -5.10516 -64.9553 -9.4705 -8.37331 -3.63099 -65.3853 -5.81603 18.8191 TIMING: 4137400 CPU: 12023.8, 0.00289815/step Wall: 12023.8, 0.00289815/step, 0.694428 hours remaining, 208.425781 MB of memory in use. ENERGY: 4137400 699.9457 2028.2837 1941.0110 99.1236 -205727.9100 17662.6798 0.0000 0.0000 34449.8547 -148847.0115 300.8591 -183296.8661 -148748.5814 300.4255 30.5599 64.4346 557448.2817 18.1839 18.3399 PRESSURE: 4137600 -99.4506 300.843 -19.688 300.844 88.9616 -164.148 -19.6875 -164.147 8.90883 GPRESSURE: 4137600 -3.79954 232.082 -28.3067 255.696 88.8444 -186.151 -96.8485 -168.906 0.204652 PRESSAVG: 4137600 -4.08838 41.58 -10.8238 41.58 -26.8146 11.9198 -10.8239 11.9198 29.5421 GPRESSAVG: 4137600 -3.09952 37.7708 -10.6696 44.9804 -27.6323 12.3907 -8.65245 10.5647 29.1426 TIMING: 4137600 CPU: 12024.4, 0.00287034/step Wall: 12024.4, 0.00287034/step, 0.687606 hours remaining, 208.425781 MB of memory in use. ENERGY: 4137600 716.6917 2057.5452 1972.8764 106.0870 -205876.2446 17792.6288 0.0000 0.0000 34312.3309 -148918.0847 299.6581 -183230.4156 -148817.7987 300.3321 -0.5267 28.4165 557443.7913 -0.4536 -0.5297 PRESSURE: 4137800 52.6477 -189.881 -109.534 -189.881 -207.251 -19.0858 -109.534 -19.0878 -71.1706 GPRESSURE: 4137800 82.7696 -189.147 -112.115 -231.726 -152.866 -6.8258 -14.7923 5.41703 -64.4467 PRESSAVG: 4137800 -56.303 -18.3194 17.073 -18.3193 16.6389 -26.3967 17.0729 -26.3967 56.0645 GPRESSAVG: 4137800 -57.0966 -16.7679 17.466 -20.9941 17.4204 -28.7337 15.6635 -24.1795 55.9754 TIMING: 4137800 CPU: 12024.9, 0.00290647/step Wall: 12024.9, 0.00290647/step, 0.696099 hours remaining, 208.425781 MB of memory in use. ENERGY: 4137800 747.0088 2087.7101 1952.8284 128.0571 -205455.9063 17526.9580 0.0000 0.0000 34167.1974 -148846.1465 298.3906 -183013.3439 -148755.3269 299.9907 -75.2578 -44.8477 559026.4631 5.4668 5.4330 PRESSURE: 4138000 -3.90455 19.3073 48.9899 19.3083 116.166 87.1524 48.9895 87.1526 -143.837 GPRESSURE: 4138000 53.2058 -9.04115 17.5759 36.8111 120.338 90.9106 83.0922 93.336 -114.893 PRESSAVG: 4138000 -0.109004 -25.0962 -33.1498 -25.0962 29.2287 17.4647 -33.1497 17.4646 -36.6319 GPRESSAVG: 4138000 0.821218 -25.4212 -32.6479 -24.6781 27.6602 18.1745 -33.4282 16.6488 -36.2836 TIMING: 4138000 CPU: 12025.5, 0.00292456/step Wall: 12025.5, 0.00292456/step, 0.700271 hours remaining, 208.425781 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: 4138000 755.4297 2136.4116 1956.7138 111.3931 -205991.1007 17591.3703 0.0000 0.0000 34658.9303 -148780.8519 302.6851 -183439.7822 -148692.6250 300.4713 -10.5252 19.5503 557972.9134 -2.5041 -2.6007 PRESSURE: 4138200 120.855 -114.701 43.0641 -114.7 -125.113 109.794 43.0637 109.794 125.132 GPRESSURE: 4138200 147.107 -103.652 103.049 -186.138 -96.7048 24.0496 34.5304 75.087 160.507 PRESSAVG: 4138200 18.9967 4.68394 24.9659 4.68387 -35.4971 24.8928 24.9659 24.8928 -30.1307 GPRESSAVG: 4138200 17.9957 6.62306 26.5101 3.59919 -33.9642 25.9815 25.6329 23.1564 -30.4642 TIMING: 4138200 CPU: 12026.1, 0.00288187/step Wall: 12026.1, 0.00288187/step, 0.689888 hours remaining, 208.425781 MB of memory in use. ENERGY: 4138200 721.4086 2204.8429 1983.7118 108.3858 -206170.2085 17838.0884 0.0000 0.0000 34596.5766 -148717.1944 302.1405 -183313.7710 -148615.2195 301.4766 40.2913 70.3030 557633.8224 -15.5437 -15.4776 PRESSURE: 4138400 -236.511 100.128 -25.1578 100.127 -138.988 21.3503 -25.1585 21.3508 -119.091 GPRESSURE: 4138400 -232.528 88.3939 -45.7976 116.074 -34.0419 86.7707 30.7559 33.5515 -122.061 PRESSAVG: 4138400 48.4029 27.4101 41.8547 27.41 4.19971 -9.8979 41.8547 -9.89785 -2.09402 GPRESSAVG: 4138400 48.2933 26.2249 40.4668 26.8288 3.79464 -8.23243 41.9237 -9.35443 -1.5356 TIMING: 4138400 CPU: 12026.7, 0.00288883/step Wall: 12026.7, 0.00288883/step, 0.691394 hours remaining, 208.425781 MB of memory in use. ENERGY: 4138400 737.2281 2133.6437 1979.3868 110.9248 -205871.1500 17529.3104 0.0000 0.0000 34548.9049 -148831.7514 301.7242 -183380.6562 -148738.8497 300.9408 -164.8634 -129.5434 558408.6462 16.8362 16.8508 PRESSURE: 4138600 67.1535 52.2306 22.218 52.2305 390.785 -6.68179 22.2187 -6.68117 -39.9525 GPRESSURE: 4138600 114.921 50.1238 -32.9268 4.10103 396.88 -51.6154 -19.6734 -44.2815 7.41317 PRESSAVG: 4138600 -34.9552 18.722 -4.77356 18.722 22.5387 -56.9409 -4.77357 -56.9409 -6.98683 GPRESSAVG: 4138600 -34.7008 19.0274 -4.44215 19.6946 22.3684 -59.1143 -4.65044 -58.5861 -6.81944 TIMING: 4138600 CPU: 12027.3, 0.00289156/step Wall: 12027.3, 0.00289156/step, 0.691885 hours remaining, 208.425781 MB of memory in use. ENERGY: 4138600 763.3454 2081.6687 1972.3320 114.2182 -206603.3801 18274.7213 0.0000 0.0000 34472.5696 -148924.5249 301.0575 -183397.0946 -148831.7243 300.4339 139.3288 173.0716 557986.3151 -6.4678 -6.3840 PRESSURE: 4138800 -230.142 -98.8954 53.2635 -98.8946 58.8715 25.0276 53.2627 25.0281 14.2947 GPRESSURE: 4138800 -180.429 -66.0649 -24.1272 -171.805 94.316 74.9364 139.51 20.5822 32.9692 PRESSAVG: 4138800 18.1669 -4.48825 -46.1443 -4.48824 44.1181 40.7181 -46.1443 40.7181 -3.00954 GPRESSAVG: 4138800 17.8831 -3.38558 -47.383 -5.46826 43.7904 40.797 -44.0691 43.6613 -2.24677 TIMING: 4138800 CPU: 12027.8, 0.00287983/step Wall: 12027.8, 0.00287983/step, 0.68892 hours remaining, 208.425781 MB of memory in use. ENERGY: 4138800 759.6911 2146.0227 1941.9758 126.4839 -206321.5597 17685.2911 0.0000 0.0000 34631.9304 -149030.1648 302.4493 -183662.0952 -148931.4664 300.7071 -52.3251 -17.7146 557647.2822 19.7585 19.8089 PRESSURE: 4139000 157.503 -26.9836 -184.201 -26.983 -32.7932 18.3991 -184.201 18.3997 50.7979 GPRESSURE: 4139000 220.928 23.2379 -186.382 -82.9287 -21.4107 -18.6113 -162.281 -23.2319 69.8736 PRESSAVG: 4139000 -15.63 -25.0546 -43.2344 -25.0546 55.4739 6.93708 -43.2344 6.93708 9.09769 GPRESSAVG: 4139000 -16.5241 -27.1648 -43.4097 -23.4617 56.6579 6.40107 -45.1788 7.22802 7.68501 TIMING: 4139000 CPU: 12028.4, 0.00288068/step Wall: 12028.4, 0.00288068/step, 0.688962 hours remaining, 208.425781 MB of memory in use. ENERGY: 4139000 690.1936 2119.0603 1978.5880 108.4435 -205862.6794 17560.1416 0.0000 0.0000 34382.2449 -149024.0076 300.2687 -183406.2525 -148924.4633 300.2619 58.5025 89.7970 556279.1712 16.3139 15.9396 PRESSURE: 4139200 134.177 -65.0834 -94.5957 -65.0835 -17.3588 -33.5115 -94.5945 -33.5093 -4.54681 GPRESSURE: 4139200 185.291 -125.075 -158.995 -45.068 50.3474 -54.4796 -57.5017 -32.1482 -14.2895 PRESSAVG: 4139200 -27.4326 -22.6722 -18.9342 -22.672 9.15882 6.89669 -18.9341 6.89676 14.9526 GPRESSAVG: 4139200 -25.6474 -20.6834 -17.535 -23.4234 8.88397 8.74984 -18.8942 6.17799 14.3739 TIMING: 4139200 CPU: 12029, 0.00289212/step Wall: 12029, 0.00289212/step, 0.691539 hours remaining, 208.425781 MB of memory in use. ENERGY: 4139200 759.1635 2155.3853 1957.5070 102.5028 -206504.6930 17918.3531 0.0000 0.0000 34385.4186 -149226.3628 300.2964 -183611.7813 -149123.4190 299.6906 37.4238 73.7829 556120.5993 -1.1071 -0.7965 PRESSURE: 4139400 -67.5454 -54.3474 155.853 -54.3465 -1.541 -39.0269 155.853 -39.0263 -174.98 GPRESSURE: 4139400 -53.5004 -10.6521 134.83 -14.0624 11.8657 9.4196 122.542 -23.2558 -96.4159 PRESSAVG: 4139400 68.4156 -46.3541 -18.363 -46.3541 -19.1268 3.55172 -18.363 3.55166 -27.2875 GPRESSAVG: 4139400 67.4263 -48.1452 -18.8568 -44.5721 -19.1312 1.99605 -17.901 4.88532 -26.1668 TIMING: 4139400 CPU: 12029.6, 0.0028973/step Wall: 12029.6, 0.0028973/step, 0.692617 hours remaining, 208.425781 MB of memory in use. ENERGY: 4139400 755.4707 2093.4682 1960.7183 136.4247 -206220.1040 17728.0097 0.0000 0.0000 34286.7146 -149259.2978 299.4344 -183546.0123 -149170.2991 299.7810 -81.3555 -46.0168 556700.0725 7.3338 7.3761 PRESSURE: 4139600 -88.1121 11.8577 24.4806 11.8572 171.859 -13.701 24.4812 -13.702 -138.824 GPRESSURE: 4139600 -17.4809 9.45385 14.7393 -19.6634 207.642 -24.1786 3.97456 20.7008 -143.319 PRESSAVG: 4139600 -27.3516 -12.3327 13.761 -12.3327 53.8724 -1.52967 13.761 -1.5297 -42.7741 GPRESSAVG: 4139600 -27.7396 -9.21454 13.8593 -13.0445 54.0769 -0.873253 13.8113 -3.09043 -42.7104 TIMING: 4139600 CPU: 12030.1, 0.00289516/step Wall: 12030.1, 0.00289516/step, 0.691943 hours remaining, 208.425781 MB of memory in use. ENERGY: 4139600 714.2612 2098.3978 1945.0798 117.6818 -206007.6971 17714.6145 0.0000 0.0000 34004.9713 -149412.6907 296.9739 -183417.6620 -149314.5723 299.2874 -18.3592 15.6141 555907.1883 -5.4178 -5.4577 PRESSURE: 4139800 -108.673 -91.055 117.711 -91.0568 -44.8938 61.4201 117.71 61.4203 135.353 GPRESSURE: 4139800 -79.6543 -135.887 92.4139 -69.4864 13.0004 60.0149 118.883 103.38 151.68 PRESSAVG: 4139800 -41.689 -32.8581 49.8528 -32.858 28.4711 7.4171 49.8528 7.41699 -2.38973 GPRESSAVG: 4139800 -41.0445 -36.4332 50.8224 -31.7071 28.6303 7.24296 47.5785 7.67512 -2.61436 TIMING: 4139800 CPU: 12030.7, 0.00289637/step Wall: 12030.7, 0.00289637/step, 0.692072 hours remaining, 208.425781 MB of memory in use. ENERGY: 4139800 779.0069 2104.9815 1961.9127 116.8082 -206291.2816 17820.6707 0.0000 0.0000 34252.8182 -149255.0834 299.1384 -183507.9016 -149165.4877 298.8470 -6.0712 28.3420 556630.7554 -5.2026 -5.0095 PRESSURE: 4140000 -37.2337 72.6693 157.702 72.6685 -246.487 -25.8009 157.703 -25.8005 -181.556 GPRESSURE: 4140000 -23.8929 59.1684 142.297 44.1353 -188.319 -69.7136 145.602 45.8047 -158.994 PRESSAVG: 4140000 33.8218 2.83734 16.8379 2.83731 54.6723 -0.551998 16.8379 -0.551887 -43.8788 GPRESSAVG: 4140000 31.9293 2.2804 14.5167 2.72397 55.0277 -1.03055 19.4089 -0.32519 -42.7168 TIMING: 4140000 CPU: 12031.3, 0.00290079/step Wall: 12031.3, 0.00290079/step, 0.692966 hours remaining, 208.425781 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: 4140000 750.9971 2121.1215 1976.4980 118.7966 -206046.0055 17604.4712 0.0000 0.0000 34141.7917 -149332.3295 298.1688 -183474.1212 -149238.0093 299.8028 -155.0923 -123.7352 556366.2198 14.8718 14.7468 PRESSURE: 4140200 -250.05 80.3718 106.893 80.3711 -7.03102 -214.381 106.892 -214.382 -102.994 GPRESSURE: 4140200 -216.791 -0.586241 130.363 89.0256 -42.0951 -146.351 210.077 -173.693 -2.27099 PRESSAVG: 4140200 25.1803 4.21974 45.2443 4.21966 -43.2699 -37.0063 45.2445 -37.0063 -4.92354 GPRESSAVG: 4140200 27.6258 5.23146 48.3927 4.32609 -44.7497 -37.4406 44.4226 -36.0192 -5.56057 TIMING: 4140200 CPU: 12031.9, 0.00290247/step Wall: 12031.9, 0.00290247/step, 0.693207 hours remaining, 208.425781 MB of memory in use. ENERGY: 4140200 759.3867 2093.3885 1976.2119 106.8927 -206387.1349 17732.3665 0.0000 0.0000 34443.3318 -149275.5569 300.8022 -183718.8886 -149166.6321 298.5561 -120.0251 -87.0523 557546.3571 -7.6711 -7.5615 LDB: ============= START OF LOAD BALANCING ============== 12035.3 LDB: ============== END OF LOAD BALANCING =============== 12035.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12035.3 LDB: ============= START OF LOAD BALANCING ============== 12035.6 LDB: Largest compute 4848 load 0.028574 is 24.3% of average load 0.117761 LDB: Average compute 0.001730 is 1.5% of average load 0.117761 LDB: TIME 12035.6 LOAD: AVG 0.117761 MAX 0.181068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.984 MB LDB: TIME 12035.6 LOAD: AVG 0.117761 MAX 0.181068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: TIME 12035.6 LOAD: AVG 0.117761 MAX 0.181068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12035.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12035.6 PRESSURE: 4140400 38.4627 3.32374 11.6299 3.32496 28.4186 152.301 11.6289 152.299 78.1552 GPRESSURE: 4140400 75.2653 14.2715 26.8196 -34.6285 65.6924 133.247 42.5755 248.217 100.066 PRESSAVG: 4140400 18.4966 -7.75458 17.8203 -7.75455 -6.1695 -64.6118 17.8203 -64.6119 21.3776 GPRESSAVG: 4140400 17.5604 -6.16268 15.6644 -9.17403 -6.04941 -63.1184 18.0042 -65.7207 22.3465 TIMING: 4140400 CPU: 12032.5, 0.00296273/step Wall: 12032.5, 0.00296273/step, 0.707435 hours remaining, 210.113281 MB of memory in use. ENERGY: 4140400 732.9625 2099.1842 1950.8450 105.9755 -206178.8242 17878.8001 0.0000 0.0000 34182.0723 -149228.9845 298.5205 -183411.0568 -149129.5636 298.5457 48.3455 80.3411 557010.5223 11.2349 11.2858 PRESSURE: 4140600 21.6974 275.234 14.6129 275.233 -223.747 -29.8815 14.6126 -29.8806 -136.697 GPRESSURE: 4140600 68.421 256.965 2.5169 281.044 -216.522 35.4376 92.905 -87.1308 -84.9346 PRESSAVG: 4140600 14.62 44.0969 46.3199 44.0968 13.4715 -30.2835 46.3198 -30.2836 -26.6775 GPRESSAVG: 4140600 15.3114 40.9651 45.413 45.5111 14.1716 -31.0966 47.2143 -29.473 -27.5993 TIMING: 4140600 CPU: 12033.1, 0.00289621/step Wall: 12033.1, 0.00289621/step, 0.691391 hours remaining, 210.296875 MB of memory in use. ENERGY: 4140600 741.6980 2135.1191 1949.2540 102.0833 -205667.9068 17440.1744 0.0000 0.0000 34073.0510 -149226.5270 297.5684 -183299.5781 -149139.3604 298.3533 -112.9154 -77.6784 557264.0588 0.4713 0.6279 PRESSURE: 4140800 35.1015 -151.369 81.2974 -151.369 -201.454 69.8932 81.2966 69.893 -262.387 GPRESSURE: 4140800 63.3602 -88.0605 55.4823 -180.434 -155.276 141.716 16.9831 57.5234 -243.352 PRESSAVG: 4140800 -7.91039 14.3966 24.7126 14.3966 41.611 -10.3446 24.7126 -10.3445 -27.5136 GPRESSAVG: 4140800 -9.20624 16.4049 26.1567 12.4508 42.6802 -10.0456 23.0361 -9.24737 -27.0623 TIMING: 4140800 CPU: 12033.6, 0.00290816/step Wall: 12033.6, 0.00290816/step, 0.694082 hours remaining, 210.296875 MB of memory in use. ENERGY: 4140800 750.2227 2122.1683 1937.3973 109.1092 -205678.9195 17434.9876 0.0000 0.0000 34226.2380 -149098.7965 298.9062 -183325.0344 -149003.4160 299.6753 -142.9132 -111.7558 557450.7302 2.0623 2.1372 PRESSURE: 4141000 -118.19 -18.4938 -81.5804 -18.4926 -50.0413 110.874 -81.5792 110.875 -344.112 GPRESSURE: 4141000 -110.207 -32.4314 -51.808 4.32021 -46.1709 97.2596 -95.6653 44.9824 -270.657 PRESSAVG: 4141000 -0.486807 9.11591 -53.0123 9.11594 -8.52918 15.1887 -53.0123 15.1886 -11.9673 GPRESSAVG: 4141000 -0.166199 9.01605 -54.5425 10.9079 -9.47825 14.5782 -50.8579 15.0495 -10.5921 TIMING: 4141000 CPU: 12034.2, 0.00290315/step Wall: 12034.2, 0.00290315/step, 0.692724 hours remaining, 210.296875 MB of memory in use. ENERGY: 4141000 720.3217 2069.4761 1958.7672 115.8956 -205805.7950 17408.9455 0.0000 0.0000 34309.2803 -149223.1086 299.6315 -183532.3888 -149122.9920 298.4756 -170.7811 -142.3450 557178.1939 -6.9944 -6.7455 PRESSURE: 4141200 -172.875 25.0493 30.7675 25.0495 -235.486 -26.3188 30.7684 -26.3183 177.863 GPRESSURE: 4141200 -158.018 -93.0632 38.9318 93.9902 -146.274 3.71041 -9.75254 -88.701 157.715 PRESSAVG: 4141200 -48.3439 -12.1004 1.88463 -12.1006 -0.611725 25.4731 1.88472 25.4731 28.9779 GPRESSAVG: 4141200 -45.5424 -12.1117 3.27051 -13.4865 -0.499443 28.0956 0.806634 24.7211 25.905 TIMING: 4141200 CPU: 12034.8, 0.00288424/step Wall: 12034.8, 0.00288424/step, 0.688051 hours remaining, 210.296875 MB of memory in use. ENERGY: 4141200 715.2033 2043.9170 1971.3785 106.8750 -206005.6086 17500.0799 0.0000 0.0000 34317.2510 -149350.9040 299.7011 -183668.1550 -149245.8308 298.2414 -76.8327 -48.8592 555251.7894 -6.6593 -6.7123 PRESSURE: 4141400 63.8414 -68.8981 -143.283 -68.8977 -3.42503 32.4647 -143.283 32.4662 -248.172 GPRESSURE: 4141400 44.8804 -20.7386 -125.52 -67.0043 63.1862 -13.8331 -106.194 9.99548 -193.753 PRESSAVG: 4141400 -28.6216 -12.8553 -41.6053 -12.8552 -27.3955 -8.88043 -41.6052 -8.88047 35.4702 GPRESSAVG: 4141400 -29.2877 -13.7795 -40.0809 -11.9723 -27.8124 -10.5469 -41.1397 -11.8874 36.7618 TIMING: 4141400 CPU: 12035.4, 0.00287263/step Wall: 12035.4, 0.00287263/step, 0.685121 hours remaining, 210.296875 MB of memory in use. ENERGY: 4141400 732.0641 2074.9978 1944.3001 104.9626 -205818.3128 17553.5475 0.0000 0.0000 34047.6924 -149360.7485 297.3470 -183408.4409 -149269.0721 298.4318 -62.5853 -28.5620 556475.4516 -6.8490 -6.7794 PRESSURE: 4141600 -165.808 17.2766 132.16 17.2774 62.4379 -86.4575 132.16 -86.4572 -117.937 GPRESSURE: 4141600 -146.365 -71.0827 86.2538 65.1854 102.207 -68.6615 95.9024 -64.4535 -79.3112 PRESSAVG: 4141600 29.9663 -16.4815 85.8724 -16.4815 -26.4954 -45.977 85.8723 -45.977 26.8398 GPRESSAVG: 4141600 29.1034 -16.7741 84.4332 -15.8882 -25.4465 -45.292 86.7529 -44.3067 26.9036 TIMING: 4141600 CPU: 12035.9, 0.00286382/step Wall: 12035.9, 0.00286382/step, 0.682862 hours remaining, 210.296875 MB of memory in use. ENERGY: 4141600 735.6712 2063.5119 1972.2434 118.4849 -205977.7699 17631.6699 0.0000 0.0000 34136.9559 -149319.2327 298.1265 -183456.1886 -149219.1448 298.2236 -73.7689 -41.1563 557242.6318 10.1036 10.1869 PRESSURE: 4141800 166.045 47.4828 228.882 47.4827 43.483 -31.698 228.882 -31.6981 -124.174 GPRESSURE: 4141800 157.864 45.9021 155.56 2.52299 132.597 -48.4143 166.716 31.4096 -120.533 PRESSAVG: 4141800 42.5004 96.9633 6.3972 96.9633 4.39827 22.6027 6.39719 22.6026 -57.2196 GPRESSAVG: 4141800 42.2261 97.2631 6.09955 96.2562 4.62164 23.5996 5.58564 23.1876 -57.3312 TIMING: 4141800 CPU: 12036.5, 0.00286675/step Wall: 12036.5, 0.00286675/step, 0.683401 hours remaining, 210.296875 MB of memory in use. ENERGY: 4141800 734.4797 2113.1323 1943.9110 114.4595 -206468.9627 18006.5670 0.0000 0.0000 34026.8903 -149529.5229 297.1653 -183556.4132 -149444.4318 298.5525 28.4512 56.6426 556904.1223 -3.4403 -3.4945 PRESSURE: 4142000 121.246 -101.905 49.9725 -101.906 66.4459 113.43 49.9716 113.43 147.306 GPRESSURE: 4142000 134.476 -55.7125 124.085 -59.0169 98.8391 216.088 -24.4544 89.9497 181.309 PRESSAVG: 4142000 10.99 22.4212 -28.8341 22.4212 2.58398 -29.3173 -28.8341 -29.3174 31.2484 GPRESSAVG: 4142000 11.2639 22.109 -27.0749 24.2939 2.24161 -30.323 -27.8632 -29.5383 31.005 TIMING: 4142000 CPU: 12037.1, 0.00288728/step Wall: 12037.1, 0.00288728/step, 0.688135 hours remaining, 210.296875 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: 4142000 719.6721 2064.5763 1940.2921 124.6415 -206195.0682 17831.9423 0.0000 0.0000 34077.6707 -149436.2732 297.6088 -183513.9439 -149339.8677 298.4101 111.6659 138.2080 556500.9105 14.9408 14.8368 PRESSURE: 4142200 157.034 13.2923 -41.0543 13.293 4.59163 -48.0355 -41.0533 -48.0339 -21.7415 GPRESSURE: 4142200 185.402 -123.816 58.602 89.7367 37.5102 -72.0008 7.24254 -62.1512 24.2874 PRESSAVG: 4142200 -7.95473 -70.7438 64.6065 -70.7438 18.4272 -4.39746 64.6065 -4.39744 -23.1671 GPRESSAVG: 4142200 -7.63562 -72.6331 64.9616 -71.1637 18.4801 -4.22063 63.6567 -2.18986 -23.5111 TIMING: 4142200 CPU: 12037.7, 0.00287956/step Wall: 12037.7, 0.00287956/step, 0.686134 hours remaining, 210.296875 MB of memory in use. ENERGY: 4142200 722.7127 2046.0226 1952.0996 109.5957 -206454.7329 17974.2376 0.0000 0.0000 34259.6368 -149390.4278 299.1979 -183650.0647 -149297.1469 298.8214 46.6279 82.3998 556537.8601 -4.2315 -4.2222 PRESSURE: 4142400 139.543 -60.1525 108.2 -60.1518 -57.5288 -16.8785 108.2 -16.8792 -108.356 GPRESSURE: 4142400 209.655 -75.8076 103.349 -82.6977 -69.3823 -67.9421 135.042 -6.20021 -67.2804 PRESSAVG: 4142400 5.9997 -34.2945 -9.095 -34.2945 20.375 36.283 -9.09503 36.2831 -10.5691 GPRESSAVG: 4142400 5.51835 -32.5644 -11.1415 -33.7774 20.3023 38.8572 -8.94361 34.0997 -9.7698 TIMING: 4142400 CPU: 12038.2, 0.00288714/step Wall: 12038.2, 0.00288714/step, 0.687781 hours remaining, 210.296875 MB of memory in use. ENERGY: 4142400 773.4039 2148.7635 1938.2017 116.5330 -206303.5726 17907.7984 0.0000 0.0000 34085.4854 -149333.3867 297.6770 -183418.8721 -149241.8087 299.1614 -8.7806 24.3307 556096.2890 5.2685 5.3503 PRESSURE: 4142600 134.839 -74.0522 -28.4281 -74.0529 -142.496 35.9112 -28.4274 35.9109 -142.89 GPRESSURE: 4142600 164.546 61.4258 -6.86856 -173.88 -119.456 30.417 -128.984 118.631 -97.2464 PRESSAVG: 4142600 46.2744 -11.8319 42.6448 -11.8319 -15.9907 -23.1042 42.6448 -23.1042 6.52887 GPRESSAVG: 4142600 45.8688 -10.7393 43.4693 -12.4731 -15.0255 -24.3063 40.7974 -22.1817 6.17848 TIMING: 4142600 CPU: 12038.8, 0.00290698/step Wall: 12038.8, 0.00290698/step, 0.692345 hours remaining, 210.296875 MB of memory in use. ENERGY: 4142600 745.9729 2122.2672 1954.1764 107.2929 -206273.5376 17803.9837 0.0000 0.0000 34304.1931 -149235.6513 299.5871 -183539.8444 -149145.9780 299.2347 -50.1826 -17.3853 556930.3229 12.2708 12.3406 PRESSURE: 4142800 33.4741 -312.01 -56.7277 -312.01 -79.5768 -33.8662 -56.7283 -33.8681 35.5273 GPRESSURE: 4142800 55.0993 -256.202 -28.0603 -249.677 -57.4477 -39.4944 46.2299 -66.7265 85.0442 PRESSAVG: 4142800 13.398 -46.7222 -2.60036 -46.7222 -58.7092 3.18831 -2.60041 3.18836 36.217 GPRESSAVG: 4142800 14.5192 -47.2157 -3.38528 -47.6893 -59.556 2.5086 0.0445808 1.79881 35.9913 TIMING: 4142800 CPU: 12039.4, 0.00288806/step Wall: 12039.4, 0.00288806/step, 0.68768 hours remaining, 210.296875 MB of memory in use. ENERGY: 4142800 753.6565 2086.4019 1960.0138 104.9607 -206215.2680 17858.9425 0.0000 0.0000 34120.0987 -149331.1939 297.9793 -183451.2926 -149233.0353 299.3071 -3.5251 27.5653 556342.5720 -3.0314 -3.0152 PRESSURE: 4143000 -76.3289 -39.6169 7.83136 -39.6169 -80.7522 -75.3479 7.83064 -75.3482 -13.1124 GPRESSURE: 4143000 -39.8288 -128.527 72.8853 40.6731 -67.428 -16.9906 -3.62709 -63.596 20.5279 PRESSAVG: 4143000 -63.454 -6.04406 18.5987 -6.04415 6.06917 24.2657 18.5987 24.2656 62.4791 GPRESSAVG: 4143000 -64.0361 -6.0897 19.5525 -4.18 6.74152 24.2595 16.6467 24.4395 62.1326 TIMING: 4143000 CPU: 12040, 0.00287642/step Wall: 12040, 0.00287642/step, 0.684748 hours remaining, 210.296875 MB of memory in use. ENERGY: 4143000 743.1434 2099.0814 1958.5278 117.6191 -206471.3448 17977.6797 0.0000 0.0000 34417.5236 -149157.7697 300.5768 -183575.2933 -149052.9697 299.1352 -56.7312 -28.9096 558555.9206 1.6981 1.6127 PRESSURE: 4143200 -216.568 110.484 -21.2875 110.482 -130.939 -162.545 -21.2878 -162.544 73.0051 GPRESSURE: 4143200 -217.983 127.775 -10.4813 103.474 -68.9884 -141.232 -19.6234 -158.678 105.28 PRESSAVG: 4143200 -59.8189 38.7515 -9.32961 38.7515 -13.3306 -31.9389 -9.32963 -31.9389 79.1878 GPRESSAVG: 4143200 -60.5895 38.7388 -10.6377 37.2357 -12.8812 -34.2872 -6.97207 -31.1765 79.6789 TIMING: 4143200 CPU: 12040.6, 0.00288254/step Wall: 12040.6, 0.00288254/step, 0.686044 hours remaining, 210.296875 MB of memory in use. ENERGY: 4143200 753.8492 2095.6824 1956.3490 105.2560 -205790.0337 17625.7619 0.0000 0.0000 34132.0814 -149121.0538 298.0840 -183253.1353 -149022.7258 300.0265 -91.5009 -60.5639 558700.2957 2.0128 2.0694 PRESSURE: 4143400 24.3802 4.39347 125.802 4.39285 -99.0182 -58.6569 125.802 -58.6593 -282.353 GPRESSURE: 4143400 30.2449 -54.7785 98.7914 -21.1277 -102.359 -35.4945 137.267 58.0606 -204.775 PRESSAVG: 4143400 -98.7741 21.9027 -25.2176 21.9026 24.7516 13.8299 -25.2177 13.83 46.261 GPRESSAVG: 4143400 -97.9821 19.2069 -25.0687 23.7813 22.6725 18.2148 -27.75 13.982 47.8162 TIMING: 4143400 CPU: 12041.1, 0.00289731/step Wall: 12041.1, 0.00289731/step, 0.689398 hours remaining, 210.296875 MB of memory in use. ENERGY: 4143400 731.3481 2071.9695 1971.0394 106.5280 -205851.6945 17657.2717 0.0000 0.0000 34062.4326 -149251.1052 297.4757 -183313.5378 -149149.1744 299.2651 -118.9969 -92.2963 558080.7989 -9.2538 -9.1645 PRESSURE: 4143600 -281.687 -22.9352 -172.57 -22.9361 21.4663 -41.3071 -172.569 -41.3066 -77.6338 GPRESSURE: 4143600 -222.483 25.7316 -145.76 -23.9033 52.0155 0.38757 -153.471 -155.044 -88.2802 PRESSAVG: 4143600 -21.9508 24.4034 -20.4548 24.4034 50.0224 -1.84483 -20.4548 -1.8448 10.0831 GPRESSAVG: 4143600 -22.3912 26.5131 -20.1625 23.0413 51.9439 -3.8155 -19.3048 -2.68019 8.85872 TIMING: 4143600 CPU: 12041.7, 0.00289032/step Wall: 12041.7, 0.00289032/step, 0.687575 hours remaining, 210.296875 MB of memory in use. ENERGY: 4143600 751.6805 2110.3286 1928.7114 113.2442 -206008.2741 17690.2414 0.0000 0.0000 34238.4133 -149175.6546 299.0126 -183414.0679 -149084.1682 298.6516 -112.6183 -86.2493 558818.2930 12.7183 12.8038 PRESSURE: 4143800 -73.2959 25.1089 4.24428 25.1086 -195.593 -213.28 4.24394 -213.281 -292.222 GPRESSURE: 4143800 -25.9702 -45.2564 41.4159 70.3325 -151.87 -216.531 11.6782 -232.992 -278.561 PRESSAVG: 4143800 -9.7545 2.15867 -16.0707 2.15877 62.6696 -44.294 -16.0708 -44.2941 -51.4378 GPRESSAVG: 4143800 -9.0674 1.37169 -15.3393 1.75803 61.2254 -45.6327 -14.8823 -43.3533 -50.4954 TIMING: 4143800 CPU: 12042.3, 0.00287431/step Wall: 12042.3, 0.00287431/step, 0.683607 hours remaining, 210.296875 MB of memory in use. ENERGY: 4143800 716.0725 2063.3596 1940.3216 109.2434 -205808.8735 17662.2885 0.0000 0.0000 34129.3711 -149188.2169 298.0603 -183317.5880 -149091.0299 298.6204 -187.0370 -152.1339 558399.3506 0.4924 0.5542 PRESSURE: 4144000 -23.9083 29.9649 -124.22 29.9649 292.882 112.007 -124.22 112.007 171.345 GPRESSURE: 4144000 29.5773 4.1447 -107.184 -11.4119 344.129 168.854 -170.839 97.2571 164.742 PRESSAVG: 4144000 65.1818 -18.8362 -66.1295 -18.8362 -23.2913 -33.4338 -66.1295 -33.4337 -20.3565 GPRESSAVG: 4144000 65.8333 -17.9939 -68.34 -19.275 -22.1237 -32.3363 -66.9411 -32.7024 -22.1124 TIMING: 4144000 CPU: 12042.9, 0.00288781/step Wall: 12042.9, 0.00288781/step, 0.686657 hours remaining, 210.296875 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: 4144000 736.3956 2047.1401 1953.7205 113.3996 -206130.7435 17959.8657 0.0000 0.0000 34196.8167 -149123.4053 298.6493 -183320.2220 -149025.4193 299.1638 146.7728 179.4831 555894.4881 7.1780 7.1991 PRESSURE: 4144200 205.204 -77.9361 -26.3973 -77.9349 -126.659 -23.5094 -26.3959 -23.5099 5.12425 GPRESSURE: 4144200 214.652 -149.361 12.3972 -30.7727 -101.499 9.41512 -45.9559 -98.5331 66.4627 PRESSAVG: 4144200 26.1358 19.092 22.6878 19.092 -8.42154 -3.18167 22.6877 -3.18164 -33.1363 GPRESSAVG: 4144200 25.659 18.193 22.9574 18.3844 -8.33459 -4.59807 22.6717 -2.97335 -32.1739 TIMING: 4144200 CPU: 12043.4, 0.00287102/step Wall: 12043.4, 0.00287102/step, 0.682505 hours remaining, 210.296875 MB of memory in use. ENERGY: 4144200 730.0998 2112.6667 1911.5609 105.3085 -206197.0328 17641.6742 0.0000 0.0000 34382.7846 -149312.9380 300.2734 -183695.7226 -149213.7661 298.9698 27.8897 59.8721 556969.7840 -5.1407 -4.9498 LDB: ============= START OF LOAD BALANCING ============== 12046.9 LDB: ============== END OF LOAD BALANCING =============== 12046.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12046.9 LDB: ============= START OF LOAD BALANCING ============== 12047.2 LDB: Largest compute 4848 load 0.028318 is 24.0% of average load 0.117817 LDB: Average compute 0.001730 is 1.5% of average load 0.117817 LDB: TIME 12047.2 LOAD: AVG 0.117817 MAX 0.178619 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.871 MB LDB: TIME 12047.2 LOAD: AVG 0.117817 MAX 0.178619 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: TIME 12047.2 LOAD: AVG 0.117817 MAX 0.178619 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.875 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12047.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12047.2 PRESSURE: 4144400 -106.024 -52.9727 245.062 -52.9731 -142.362 -26.7312 245.062 -26.7309 -16.299 GPRESSURE: 4144400 -92.2493 -52.9816 265.217 -57.459 -131.182 11.5533 209.135 -44.4728 54.96 PRESSAVG: 4144400 25.2378 26.0013 8.72428 26.0013 -42.5429 -4.19957 8.72428 -4.19951 -12.2119 GPRESSAVG: 4144400 26.1359 25.7744 10.4824 25.6926 -42.8436 -2.29924 8.45436 -6.18291 -12.8822 TIMING: 4144400 CPU: 12044, 0.00294876/step Wall: 12044, 0.00294876/step, 0.700822 hours remaining, 207.613281 MB of memory in use. ENERGY: 4144400 748.5279 2053.0282 1967.5515 108.2967 -206157.4660 17648.3543 0.0000 0.0000 34379.1958 -149252.5114 300.2421 -183631.7072 -149164.0881 299.2260 -88.2286 -56.1571 557239.9105 -9.8390 -9.8633 PRESSURE: 4144600 -95.9281 -107.612 16.0917 -107.611 5.24939 -134.606 16.0926 -134.606 -93.457 GPRESSURE: 4144600 -20.6843 -35.6354 -23.1681 -128.351 -12.7111 -175.058 63.5561 -48.8923 -50.5832 PRESSAVG: 4144600 -3.68421 -21.081 5.13222 -21.0808 -26.7044 50.0452 5.13231 50.0452 37.0809 GPRESSAVG: 4144600 -4.69931 -19.5622 3.66902 -21.051 -26.6459 46.5047 4.98568 51.8494 38.1023 TIMING: 4144600 CPU: 12044.6, 0.00288067/step Wall: 12044.6, 0.00288067/step, 0.684478 hours remaining, 208.121094 MB of memory in use. ENERGY: 4144600 744.3165 2042.1331 1937.2611 111.2924 -205992.2472 17753.9312 0.0000 0.0000 34173.0354 -149230.2776 298.4416 -183403.3130 -149129.8674 299.1577 -61.3786 -27.9929 558816.5610 2.2307 2.2524 PRESSURE: 4144800 -67.9677 159.585 76.6228 159.585 -30.8651 -56.7246 76.6237 -56.7224 15.2216 GPRESSURE: 4144800 -6.22322 209.669 75.7006 98.4852 3.14795 -10.82 138.186 30.7458 -3.51552 PRESSAVG: 4144800 -23.6547 -1.74873 8.45489 -1.74872 -41.9295 -3.48352 8.45501 -3.48348 26.6329 GPRESSAVG: 4144800 -23.1478 -3.17668 7.68732 -0.0797996 -41.3446 -1.40888 10.6102 -4.01721 25.4934 TIMING: 4144800 CPU: 12045.2, 0.00288735/step Wall: 12045.2, 0.00288735/step, 0.685907 hours remaining, 208.121094 MB of memory in use. ENERGY: 4144800 760.7335 2064.4650 1938.2082 117.4428 -205791.4841 17634.5949 0.0000 0.0000 34074.8124 -149201.2272 297.5838 -183276.0396 -149100.6114 298.7202 -27.8704 -2.1969 558198.0299 -12.9838 -12.9997 PRESSURE: 4145000 -120.851 120.861 42.8476 120.861 -223.075 -39.9934 42.8484 -39.9932 -56.4475 GPRESSURE: 4145000 -114.026 172.901 -14.6654 52.7029 -199.447 -37.4956 41.6233 31.8438 29.3977 PRESSAVG: 4145000 1.60121 1.57049 7.24358 1.57039 -6.00051 -5.81379 7.24364 -5.81388 6.32752 GPRESSAVG: 4145000 0.952028 0.821474 8.5833 1.14974 -5.98738 -5.86729 4.56062 -6.48007 6.68461 TIMING: 4145000 CPU: 12045.8, 0.00290136/step Wall: 12045.8, 0.00290136/step, 0.689073 hours remaining, 208.292969 MB of memory in use. ENERGY: 4145000 745.0775 2041.5873 1974.9609 110.0919 -205923.2434 17547.4318 0.0000 0.0000 34422.0486 -149082.0454 300.6163 -183504.0941 -148982.5842 299.3233 -133.4577 -94.6918 558907.6205 0.6427 0.5498 PRESSURE: 4145200 -48.8121 123.196 108.129 123.195 -169.712 -37.9515 108.128 -37.9502 95.3165 GPRESSURE: 4145200 -23.6001 135.643 118.328 104.943 -146.492 19.467 76.547 -107.18 142.473 PRESSAVG: 4145200 44.1997 -56.2276 67.9592 -56.2277 -34.251 21.3558 67.9592 21.3558 26.2514 GPRESSAVG: 4145200 43.5535 -54.0515 67.4005 -56.615 -33.2892 21.2795 68.0845 20.844 26.1213 TIMING: 4145200 CPU: 12046.3, 0.00290264/step Wall: 12046.3, 0.00290264/step, 0.689217 hours remaining, 208.292969 MB of memory in use. ENERGY: 4145200 736.7923 2118.3567 1958.5087 119.6382 -205994.9750 17724.0150 0.0000 0.0000 34449.5912 -148888.0729 300.8568 -183337.6641 -148777.3307 299.8296 -41.0694 -9.2063 558967.6940 12.0667 12.1285 PRESSURE: 4145400 89.6637 -45.8281 138.578 -45.8277 -185.192 -163.556 138.578 -163.555 92.6265 GPRESSURE: 4145400 165.919 -20.447 102.318 -104.847 -178.08 -193.03 167.369 -102.817 110.724 PRESSAVG: 4145400 5.67869 23.5446 3.52312 23.5446 -83.2075 -4.87807 3.52318 -4.87797 78.954 GPRESSAVG: 4145400 7.48898 20.7617 3.59081 25.7282 -84.2594 -3.95034 3.95214 -5.25177 78.3231 TIMING: 4145400 CPU: 12046.9, 0.00288831/step Wall: 12046.9, 0.00288831/step, 0.685654 hours remaining, 208.292969 MB of memory in use. ENERGY: 4145400 758.7721 2141.0430 1967.9565 122.0720 -206317.0862 18034.6442 0.0000 0.0000 34418.6116 -148873.9866 300.5863 -183292.5982 -148773.5543 299.4302 -0.9671 32.8544 557799.4494 0.4751 0.5176 PRESSURE: 4145600 -448.263 -66.573 -17.791 -66.5729 -221.118 64.2294 -17.7907 64.2294 -260.199 GPRESSURE: 4145600 -450.952 -28.7464 15.3219 -44.7059 -174.405 76.6827 17.9679 87.2947 -215.488 PRESSAVG: 4145600 20.7743 5.04867 -21.152 5.04863 -107.118 0.612545 -21.152 0.612645 80.9205 GPRESSAVG: 4145600 20.3532 9.14488 -20.8896 2.05844 -106.746 0.669149 -21.1513 -0.271381 81.0579 TIMING: 4145600 CPU: 12047.5, 0.00290699/step Wall: 12047.5, 0.00290699/step, 0.689926 hours remaining, 208.292969 MB of memory in use. ENERGY: 4145600 814.4967 2076.9302 1947.1799 110.8812 -205843.2332 17607.4036 0.0000 0.0000 34386.5310 -148899.8107 300.3061 -183286.3417 -148804.6039 300.0929 -309.8601 -280.2815 558583.7053 -1.8078 -1.7783 PRESSURE: 4145800 -137.287 -21.127 -42.3897 -21.1266 -123.724 -232.93 -42.3903 -232.931 -137.176 GPRESSURE: 4145800 -63.2432 8.67009 -126.191 -40.8916 -141.51 -191.027 21.0698 -213.712 -102.92 PRESSAVG: 4145800 -19.8338 14.6929 -38.7933 14.6929 31.4443 -14.5256 -38.7932 -14.5255 10.596 GPRESSAVG: 4145800 -21.4556 13.0979 -38.9134 16.5056 31.5214 -13.9583 -39.4308 -12.4711 12.4595 TIMING: 4145800 CPU: 12048.1, 0.00286422/step Wall: 12048.1, 0.00286422/step, 0.679615 hours remaining, 208.292969 MB of memory in use. ENERGY: 4145800 746.5522 2100.8869 1980.4596 112.2237 -205916.6606 17732.2438 0.0000 0.0000 34320.0050 -148924.2893 299.7251 -183244.2944 -148826.8726 300.6439 -132.7288 -102.5578 557774.2786 7.4022 7.5084 PRESSURE: 4146000 -58.3604 -143.391 149.56 -143.391 -143.287 -29.79 149.56 -29.7904 67.7737 GPRESSURE: 4146000 33.4553 -104.913 100.082 -168.895 -118.154 -70.9961 100.374 66.8298 42.6518 PRESSAVG: 4146000 21.3945 -51.6017 -15.4242 -51.6018 -30.4128 -29.769 -15.4243 -29.769 -1.67062 GPRESSAVG: 4146000 22.9081 -50.5494 -15.1957 -53.6778 -30.598 -31.3726 -12.5723 -30.766 -2.92636 TIMING: 4146000 CPU: 12048.7, 0.0028852/step Wall: 12048.7, 0.0028852/step, 0.684434 hours remaining, 208.292969 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: 4146000 773.7708 2094.9460 1970.5999 105.4330 -205998.4152 17728.3041 0.0000 0.0000 34369.0663 -148956.2950 300.1536 -183325.3614 -148848.8607 300.2395 -44.6245 -14.0157 558229.1246 -3.5630 -3.5387 PRESSURE: 4146200 -53.8348 -165.457 57.5684 -165.456 -104.698 26.6513 57.5678 26.6525 -227.739 GPRESSURE: 4146200 -48.9782 -156.437 1.20976 -54.0123 -50.0193 74.5311 108.582 71.6728 -186.515 PRESSAVG: 4146200 -10.288 -59.4737 18.201 -59.4737 32.188 36.7285 18.201 36.7286 1.30459 GPRESSAVG: 4146200 -10.8014 -59.527 17.1884 -57.2413 32.5836 39.3014 18.3689 35.3774 1.06745 TIMING: 4146200 CPU: 12049.2, 0.00287746/step Wall: 12049.2, 0.00287746/step, 0.682437 hours remaining, 208.292969 MB of memory in use. ENERGY: 4146200 763.7922 2034.6616 1952.4819 94.4818 -206254.3806 17744.1211 0.0000 0.0000 34417.5288 -149247.3133 300.5768 -183664.8421 -149151.4783 299.3649 -128.7572 -95.1707 557144.2861 7.7348 7.6165 PRESSURE: 4146400 -134.629 -179.143 -51.7167 -179.144 -14.4503 -88.4141 -51.7158 -88.4146 251.311 GPRESSURE: 4146400 -95.4352 -270.423 -54.1114 -115.092 -9.7454 14.9045 -34.9837 -153.781 304.655 PRESSAVG: 4146400 -30.4912 -53.0776 55.9383 -53.0776 54.0243 27.5207 55.9384 27.5207 -5.95125 GPRESSAVG: 4146400 -30.8372 -53.1299 56.5964 -55.6571 54.0025 26.8578 54.1963 26.7204 -5.93969 TIMING: 4146400 CPU: 12049.8, 0.0028912/step Wall: 12049.8, 0.0028912/step, 0.685536 hours remaining, 208.292969 MB of memory in use. ENERGY: 4146400 710.0300 2075.8671 1948.4310 115.6601 -206245.3737 17790.4347 0.0000 0.0000 34319.5083 -149285.4424 299.7208 -183604.9507 -149185.1958 299.1562 34.0771 66.4915 556898.4269 5.8606 5.7419 PRESSURE: 4146600 26.9668 -7.85437 0.158096 -7.85409 -139.565 234.973 0.157679 234.972 -106.91 GPRESSURE: 4146600 69.169 -48.7536 34.2032 64.9522 -134.469 163.659 -53.139 228.617 -70.3736 PRESSAVG: 4146600 -4.72502 -40.5221 5.19283 -40.5222 -33.9465 35.7179 5.19273 35.7179 20.3996 GPRESSAVG: 4146600 -4.99794 -41.753 6.93125 -37.7121 -34.5107 34.4714 2.42244 36.4073 21.2103 TIMING: 4146600 CPU: 12050.4, 0.00288494/step Wall: 12050.4, 0.00288494/step, 0.683892 hours remaining, 208.292969 MB of memory in use. ENERGY: 4146600 737.9238 2092.1577 1956.7463 117.8344 -206497.2245 17774.6368 0.0000 0.0000 34409.6331 -149408.2924 300.5079 -183817.9255 -149305.1042 298.6213 -73.1694 -45.2247 556753.7530 -6.0907 -6.0994 PRESSURE: 4146800 304.963 84.6714 99.7141 84.6725 -136.029 -41.5468 99.7144 -41.546 -191.069 GPRESSURE: 4146800 331.46 18.4228 10.82 84.6949 -69.9837 6.67854 120.589 -67.0301 -188.71 PRESSAVG: 4146800 59.776 5.04925 25.4999 5.04932 -68.1805 -1.38738 25.4999 -1.38748 -26.8841 GPRESSAVG: 4146800 60.7213 5.31677 22.8903 4.21594 -67.7028 -1.03757 28.8262 -0.106862 -27.607 TIMING: 4146800 CPU: 12051, 0.00290065/step Wall: 12051, 0.00290065/step, 0.687455 hours remaining, 208.292969 MB of memory in use. ENERGY: 4146800 716.6585 2117.1826 1945.0721 113.2031 -206237.6106 17876.3835 0.0000 0.0000 34220.5570 -149248.5537 298.8566 -183469.1107 -149156.6259 298.1679 -7.3784 24.2555 556228.7950 -11.7629 -11.5295 PRESSURE: 4147000 -159.539 21.9962 156.164 21.9961 -202.605 14.8715 156.164 14.8706 -206.218 GPRESSURE: 4147000 -139.999 34.3131 204.217 46.4166 -175.275 53.1979 174.795 -93.0881 -138.139 PRESSAVG: 4147000 20.7499 8.0495 -5.3961 8.04946 -22.6502 -40.0343 -5.39611 -40.0343 -37.7829 GPRESSAVG: 4147000 20.218 8.54803 -3.48596 5.85728 -21.6322 -40.3447 -6.44879 -39.0899 -38.6946 TIMING: 4147000 CPU: 12051.5, 0.00290094/step Wall: 12051.5, 0.00290094/step, 0.687363 hours remaining, 208.292969 MB of memory in use. ENERGY: 4147000 790.5575 2126.7757 1965.1555 112.0589 -206056.6216 17606.4106 0.0000 0.0000 34137.4764 -149318.1871 298.1311 -183455.6635 -149219.5919 298.6330 -189.4541 -151.1378 556271.0383 -13.2277 -13.3696 PRESSURE: 4147200 209.188 -45.6657 -74.6268 -45.6645 -263.609 22.444 -74.6272 22.4434 -408.755 GPRESSURE: 4147200 248.649 -51.6731 -46.7598 -42.93 -291.824 4.64157 -97.2194 64.7187 -323.579 PRESSAVG: 4147200 83.0766 -54.9637 46.3634 -54.9637 -16.0041 -1.31067 46.3634 -1.31068 -77.6672 GPRESSAVG: 4147200 83.8559 -56.0967 45.0582 -53.1172 -16.3051 -0.784072 46.0705 -1.84527 -78.4054 TIMING: 4147200 CPU: 12052.1, 0.00289831/step Wall: 12052.1, 0.00289831/step, 0.686578 hours remaining, 208.292969 MB of memory in use. ENERGY: 4147200 757.7358 2076.1312 1949.0053 120.6269 -205933.2112 17556.5312 0.0000 0.0000 34215.7271 -149257.4536 298.8145 -183473.1808 -149168.8944 299.0364 -154.3920 -122.2516 557710.2106 -3.5316 -3.6182 PRESSURE: 4147400 54.3841 -103.604 19.3794 -103.603 -272.777 -14.5236 19.3796 -14.526 -50.1717 GPRESSURE: 4147400 94.3828 -102.527 -8.83931 -91.2269 -201.551 20.6991 9.42688 -87.667 -63.7011 PRESSAVG: 4147400 66.0488 -51.1414 -5.5489 -51.1414 -49.1047 -3.84146 -5.54894 -3.84151 -17.7727 GPRESSAVG: 4147400 65.8346 -51.5707 -5.06184 -53.4493 -49.3717 -4.17124 -6.70186 -1.67612 -17.7215 TIMING: 4147400 CPU: 12052.7, 0.00289407/step Wall: 12052.7, 0.00289407/step, 0.685412 hours remaining, 208.292969 MB of memory in use. ENERGY: 4147400 730.0884 2088.4531 1951.2756 105.0343 -206104.1585 17562.7295 0.0000 0.0000 34315.2717 -149351.3059 299.6838 -183666.5776 -149257.8863 298.8061 -89.5216 -56.9564 557477.4084 -0.2762 -0.4195 PRESSURE: 4147600 -87.2645 128.2 56.7075 128.198 195.121 153.851 56.7076 153.85 127.972 GPRESSURE: 4147600 -55.6898 152.485 18.6362 169.503 179.309 221.145 78.7765 108.447 204.741 PRESSAVG: 4147600 -1.03169 65.5226 -32.9894 65.5227 -27.8853 24.8177 -32.9894 24.8177 -28.6337 GPRESSAVG: 4147600 -1.5719 65.858 -32.56 66.2037 -28.6246 22.9909 -31.5273 21.8539 -27.1289 TIMING: 4147600 CPU: 12053.3, 0.00289813/step Wall: 12053.3, 0.00289813/step, 0.686213 hours remaining, 208.292969 MB of memory in use. ENERGY: 4147600 740.8018 2083.8047 1952.2119 116.6463 -206475.8735 17980.0564 0.0000 0.0000 34214.4361 -149387.9164 298.8032 -183602.3525 -149286.9711 298.5338 78.6094 109.4534 557258.5902 -19.1836 -19.1085 PRESSURE: 4147800 -199.313 7.27194 -14.7873 7.27294 -211.494 7.49616 -14.7872 7.49529 -21.7148 GPRESSURE: 4147800 -82.7911 77.4958 -26.5926 -44.6118 -223.165 14.8503 14.7043 0.658371 -31.0421 PRESSAVG: 4147800 -49.4121 61.2874 -42.0578 61.2874 35.5739 -12.9068 -42.0578 -12.9067 25.4134 GPRESSAVG: 4147800 -49.5172 61.8814 -42.8819 62.3684 35.7963 -10.4976 -42.541 -13.3103 24.7723 TIMING: 4147800 CPU: 12053.9, 0.00290593/step Wall: 12053.9, 0.00290593/step, 0.687899 hours remaining, 208.292969 MB of memory in use. ENERGY: 4147800 763.3370 2095.5300 1948.9341 108.4730 -206141.8558 17642.0684 0.0000 0.0000 34194.5754 -149388.9378 298.6297 -183583.5132 -149296.9838 299.3363 -144.1738 -112.3327 557097.1545 3.8584 3.6838 PRESSURE: 4148000 237.227 -35.9023 81.1926 -35.9029 -497.32 173.711 81.1931 173.71 -163.081 GPRESSURE: 4148000 273.943 91.1759 131.792 -25.754 -485.249 241.458 55.6039 110.232 -121.355 PRESSAVG: 4148000 74.4644 -3.72861 -9.4616 -3.7286 -57.9903 -39.7432 -9.46148 -39.7431 31.9923 GPRESSAVG: 4148000 74.8665 -2.00906 -8.96143 -5.91625 -58.4855 -40.5257 -8.26256 -38.4557 31.8438 TIMING: 4148000 CPU: 12054.4, 0.00290003/step Wall: 12054.4, 0.00290003/step, 0.686341 hours remaining, 208.292969 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: 4148000 756.1915 2107.2674 1963.0440 103.3962 -206103.5141 17725.8577 0.0000 0.0000 34192.8245 -149254.9328 298.6144 -183447.7573 -149164.3084 298.8236 -141.0578 -110.8870 557500.9328 16.1554 16.0749 PRESSURE: 4148200 -67.3886 -85.5927 -93.217 -85.5935 51.6929 148.033 -93.217 148.034 61.3663 GPRESSURE: 4148200 -96.2821 -47.6431 -75.2257 -101.35 143.994 157.669 -127.42 138.258 106.871 PRESSAVG: 4148200 -5.24973 -36.0098 -40.2925 -36.0099 -57.431 -34.9357 -40.2925 -34.9355 75.8789 GPRESSAVG: 4148200 -5.29001 -38.6957 -40.4691 -34.8023 -57.5532 -36.5406 -42.369 -34.3117 76.0169 TIMING: 4148200 CPU: 12055, 0.00290655/step Wall: 12055, 0.00290655/step, 0.687721 hours remaining, 208.292969 MB of memory in use. ENERGY: 4148200 797.5343 2094.3353 1948.3921 104.7506 -206153.8734 17830.8977 0.0000 0.0000 34228.6846 -149149.2788 298.9276 -183377.9634 -149050.6174 299.4283 15.2235 51.5278 558259.5787 4.3994 4.3912 LDB: ============= START OF LOAD BALANCING ============== 12058.5 LDB: ============== END OF LOAD BALANCING =============== 12058.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12058.5 LDB: ============= START OF LOAD BALANCING ============== 12058.8 LDB: Largest compute 4848 load 0.027660 is 23.5% of average load 0.117868 LDB: Average compute 0.001728 is 1.5% of average load 0.117868 LDB: TIME 12058.8 LOAD: AVG 0.117868 MAX 0.180186 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 12058.8 LOAD: AVG 0.117868 MAX 0.180186 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 12058.8 LOAD: AVG 0.117868 MAX 0.180186 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12058.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12058.8 PRESSURE: 4148400 -128.478 7.99672 204.28 7.99653 -60.538 164.46 204.279 164.462 -34.3252 GPRESSURE: 4148400 -79.9104 39.4128 253.148 -2.73833 -70.1907 90.027 119.286 185.02 21.3033 PRESSAVG: 4148400 15.4912 -32.1615 16.7577 -32.1614 -17.7215 0.358608 16.7577 0.358539 -6.28227 GPRESSAVG: 4148400 14.7317 -30.7694 16.1955 -33.5374 -17.1684 2.10508 17.3722 -0.763645 -6.59235 TIMING: 4148400 CPU: 12055.6, 0.00297599/step Wall: 12055.6, 0.00297599/step, 0.703987 hours remaining, 207.730469 MB of memory in use. ENERGY: 4148400 758.5964 2113.7528 1965.3824 126.6537 -205920.0747 17682.0518 0.0000 0.0000 34380.2298 -148893.4078 300.2511 -183273.6376 -148799.3187 300.2071 -74.4470 -42.9326 558286.2411 -2.8375 -3.0097 PRESSURE: 4148600 -169.418 -53.1229 -11.8104 -53.1228 -1.73414 -87.2147 -11.8115 -87.2182 -54.8051 GPRESSURE: 4148600 -192.868 -5.60477 76.5725 -23.6945 143.478 -28.2587 -5.26212 -95.3306 -74.206 PRESSAVG: 4148600 -20.6009 -37.8593 -4.00655 -37.8594 42.9848 -0.47932 -4.00665 -0.479363 9.48349 GPRESSAVG: 4148600 -20.2562 -39.8026 -3.24719 -35.7245 42.4462 -2.2785 -4.11209 1.67886 9.72591 TIMING: 4148600 CPU: 12056.2, 0.00289864/step Wall: 12056.2, 0.00289864/step, 0.685528 hours remaining, 207.933594 MB of memory in use. ENERGY: 4148600 749.3013 2143.3476 1956.8955 113.1412 -205871.6403 17697.1266 0.0000 0.0000 34262.4492 -148949.3790 299.2225 -183211.8282 -148854.6990 300.4458 -75.3192 -41.1988 556780.4719 10.6225 10.6387 PRESSURE: 4148800 -380.597 71.494 9.27017 71.4945 -247.462 64.6702 9.27131 64.6709 15.3532 GPRESSURE: 4148800 -314.227 11.2915 -5.1879 113.355 -234.046 -51.9231 24.2434 129.417 27.274 PRESSAVG: 4148800 -8.31664 -17.4073 7.39011 -17.4073 -31.3894 -8.81649 7.39015 -8.81638 18.5653 GPRESSAVG: 4148800 -7.52434 -16.3922 5.46754 -18.9584 -32.1784 -7.41962 6.84777 -11.2859 18.7152 TIMING: 4148800 CPU: 12056.8, 0.00289322/step Wall: 12056.8, 0.00289322/step, 0.684086 hours remaining, 207.933594 MB of memory in use. ENERGY: 4148800 774.1076 2119.5051 1956.6054 113.0584 -205628.8497 17520.7403 0.0000 0.0000 34142.0705 -149002.7624 298.1712 -183144.8329 -148908.7800 299.9352 -204.2353 -173.6662 558272.3206 -7.0469 -6.9959 PRESSURE: 4149000 -13.2052 -312.46 -88.113 -312.46 -71.343 -59.3889 -88.1116 -59.3905 -164.509 GPRESSURE: 4149000 -10.6038 -292.69 -101.902 -341.573 -62.765 -20.7206 -62.4395 -29.2758 -75.8965 PRESSAVG: 4149000 -12.4236 -44.4311 35.4976 -44.4311 -21.918 -5.13741 35.4976 -5.13746 69.4278 GPRESSAVG: 4149000 -13.8934 -45.2039 37.6369 -43.221 -20.8988 -6.80884 36.2333 -1.49444 69.1271 TIMING: 4149000 CPU: 12057.4, 0.00289102/step Wall: 12057.4, 0.00289102/step, 0.683405 hours remaining, 207.933594 MB of memory in use. ENERGY: 4149000 760.2927 2148.2424 2008.6458 108.8195 -205716.9602 17629.5224 0.0000 0.0000 34112.6929 -148948.7445 297.9146 -183061.4374 -148848.5087 299.7735 -83.0191 -49.7551 558020.8541 11.6954 11.4450 PRESSURE: 4149200 81.2445 124.646 -59.9429 124.648 130.765 -146.089 -59.9418 -146.088 66.7285 GPRESSURE: 4149200 104.831 132.111 53.5142 88.229 164.639 -188.4 -124.038 -98.3426 111.207 PRESSAVG: 4149200 -71.6422 1.27405 15.6156 1.27413 67.5348 5.11592 15.6156 5.11582 11.7966 GPRESSAVG: 4149200 -72.0961 2.27173 14.9595 0.620474 68.4208 6.40793 14.2061 2.77611 11.9062 TIMING: 4149200 CPU: 12057.9, 0.00287223/step Wall: 12057.9, 0.00287223/step, 0.678805 hours remaining, 207.933594 MB of memory in use. ENERGY: 4149200 752.4234 2067.6831 1968.1224 106.7654 -206236.5184 18105.2381 0.0000 0.0000 34250.6015 -148985.6845 299.1190 -183236.2860 -148888.8745 299.2059 92.9126 126.8922 557828.0705 2.5631 2.7436 PRESSURE: 4149400 -146.323 -19.2339 5.16639 -19.2337 -43.2458 80.1171 5.16752 80.1154 44.3407 GPRESSURE: 4149400 -116.135 -19.8474 -9.2705 -58.7383 41.3912 -4.25136 -15.5525 -25.0188 10.581 PRESSAVG: 4149400 -2.10585 39.9807 0.44782 39.9807 54.8698 32.3445 0.447816 32.3445 -19.8373 GPRESSAVG: 4149400 -1.32976 38.7688 -0.128603 39.4901 53.9112 33.1595 2.31805 31.8577 -19.9366 TIMING: 4149400 CPU: 12058.5, 0.00288745/step Wall: 12058.5, 0.00288745/step, 0.682241 hours remaining, 207.933594 MB of memory in use. ENERGY: 4149400 748.4002 2113.9753 1972.7281 112.1472 -206107.1516 17687.5534 0.0000 0.0000 34438.5100 -149033.8372 300.7601 -183472.3472 -148941.0612 299.7798 -48.4093 -21.3875 558143.1629 10.9755 10.8816 PRESSURE: 4149600 -15.3537 27.8157 -52.6043 27.8155 -14.8893 147.631 -52.6033 147.632 -144.107 GPRESSURE: 4149600 14.5881 -52.3491 8.86789 68.9044 31.8383 207.406 -54.0305 141.059 -126.796 PRESSAVG: 4149600 -56.9776 5.70263 -72.0348 5.70252 16.6818 42.7304 -72.0348 42.7303 27.1035 GPRESSAVG: 4149600 -56.5606 4.46058 -72.8477 6.22264 17.2013 44.0747 -71.3102 43.3158 26.5723 TIMING: 4149600 CPU: 12059.1, 0.00288882/step Wall: 12059.1, 0.00288882/step, 0.682404 hours remaining, 207.933594 MB of memory in use. ENERGY: 4149600 745.0516 2067.6265 1969.4643 107.4738 -205908.4434 17723.7885 0.0000 0.0000 34205.4923 -149089.5464 298.7251 -183295.0388 -148992.2586 299.6361 -58.1166 -26.7898 557596.1422 -4.3975 -4.2624 PRESSURE: 4149800 63.7939 -42.5423 78.2354 -42.5414 204.977 -148.761 78.2359 -148.761 -189.917 GPRESSURE: 4149800 84.1438 24.3344 220.255 -46.3376 198.265 -123.859 60.846 -133.687 -113.943 PRESSAVG: 4149800 -17.2165 -4.40264 6.99793 -4.40268 55.7659 43.5278 6.99792 43.5278 21.6672 GPRESSAVG: 4149800 -16.0599 -1.78054 7.21349 -4.39647 54.6951 43.0005 7.35004 42.3612 21.1979 TIMING: 4149800 CPU: 12059.7, 0.0029033/step Wall: 12059.7, 0.0029033/step, 0.685663 hours remaining, 207.933594 MB of memory in use. ENERGY: 4149800 736.3152 2079.5123 1952.8314 91.3247 -206257.4426 17819.1137 0.0000 0.0000 34402.7848 -149175.5605 300.4481 -183578.3453 -149080.0601 299.5353 26.2846 56.1551 557757.8849 20.0722 19.9443 PRESSURE: 4150000 -12.7483 -32.1616 96.3117 -32.162 -215.743 132.307 96.312 132.309 -358.922 GPRESSURE: 4150000 40.8544 -60.1754 23.8124 -15.7952 -209.484 137.806 96.2174 62.3179 -325.665 PRESSAVG: 4150000 -2.49178 -10.2323 46.9769 -10.2324 41.7578 43.0145 46.9768 43.0144 -92.1948 GPRESSAVG: 4150000 -3.97669 -9.72667 47.0947 -11.7333 41.6093 41.842 45.3317 44.5451 -90.0185 TIMING: 4150000 CPU: 12060.2, 0.00289109/step Wall: 12060.2, 0.00289109/step, 0.682619 hours remaining, 207.933594 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: 4150000 775.6814 2065.7340 1980.1862 102.4362 -206021.0265 17590.5471 0.0000 0.0000 34246.2902 -149260.1513 299.0814 -183506.4415 -149161.7414 299.4910 -195.8044 -164.7648 556988.5221 -17.6429 -17.4620 PRESSURE: 4150200 -189.207 56.4312 1.57713 56.4324 195.479 -62.6725 1.57675 -62.6713 -51.0047 GPRESSURE: 4150200 -182.913 59.5689 -58.8986 113.16 265.76 13.6246 66.2146 -29.6448 -26.0316 PRESSAVG: 4150200 64.7114 -23.9722 -27.802 -23.9721 29.8084 -35.7728 -27.802 -35.7728 -59.6479 GPRESSAVG: 4150200 65.1278 -26.2608 -25.5206 -23.6442 32.3199 -34.3254 -27.3803 -37.2848 -62.1524 TIMING: 4150200 CPU: 12060.8, 0.00288455/step Wall: 12060.8, 0.00288455/step, 0.680914 hours remaining, 207.933594 MB of memory in use. ENERGY: 4150200 753.9349 2136.0661 1978.3305 116.0778 -206185.2685 17794.6011 0.0000 0.0000 34097.6531 -149308.6051 297.7833 -183406.2581 -149213.8878 299.0976 -14.9111 18.9387 556284.1994 11.6240 11.7651 PRESSURE: 4150400 212.855 -79.5696 147.233 -79.57 256.618 8.55136 147.232 8.55145 347.886 GPRESSURE: 4150400 267.69 -62.7109 214.267 -84.5129 307.576 18.7023 51.9154 37.2115 347.992 PRESSAVG: 4150400 60.9112 -52.9056 28.1066 -52.9055 -10.6059 22.8794 28.1066 22.8793 14.8046 GPRESSAVG: 4150400 62.0147 -53.2883 24.7793 -50.8562 -11.9116 22.3469 29.3557 23.6316 15.5328 TIMING: 4150400 CPU: 12061.4, 0.00288522/step Wall: 12061.4, 0.00288522/step, 0.680912 hours remaining, 207.933594 MB of memory in use. ENERGY: 4150400 734.6252 2093.9569 1979.8353 113.7175 -206753.9031 18223.7847 0.0000 0.0000 34277.5587 -149330.4247 299.3544 -183607.9835 -149243.7696 299.1610 272.4529 307.7527 556399.3080 21.7033 21.8786 PRESSURE: 4150600 -178.474 34.1632 110.45 34.1629 154.113 113.4 110.45 113.399 -90.9913 GPRESSURE: 4150600 -110.709 182.495 93.1937 -15.2205 191.349 163.024 161.784 126.909 -94.0897 PRESSAVG: 4150600 28.2343 -37.8759 11.1796 -37.876 -34.3334 -11.0719 11.1796 -11.0718 15.4652 GPRESSAVG: 4150600 27.1832 -37.2907 11.3847 -38.4658 -33.9174 -11.0797 9.10291 -11.0563 16.1474 TIMING: 4150600 CPU: 12062, 0.00290846/step Wall: 12062, 0.00290846/step, 0.686234 hours remaining, 207.933594 MB of memory in use. ENERGY: 4150600 762.9522 2082.6138 1994.4215 105.1991 -206135.3473 17882.7979 0.0000 0.0000 34167.0533 -149140.3094 298.3894 -183307.3627 -149049.5430 299.6515 -38.4508 -4.4833 559874.5906 3.1220 3.1377 PRESSURE: 4150800 77.569 -63.5535 -20.4884 -63.5535 150.831 27.4055 -20.4885 27.4043 -73.3803 GPRESSURE: 4150800 104.714 -7.02078 -26.6599 -45.8717 201.545 60.2793 -21.0853 107.275 -48.6251 PRESSAVG: 4150800 -49.2454 -9.74554 -9.62954 -9.7455 48.1315 -8.45296 -9.62958 -8.45299 10.1985 GPRESSAVG: 4150800 -49.236 -9.3751 -9.64725 -10.051 48.94 -7.78639 -6.80105 -11.2617 9.3347 TIMING: 4150800 CPU: 12062.6, 0.00288149/step Wall: 12062.6, 0.00288149/step, 0.679711 hours remaining, 208.003906 MB of memory in use. ENERGY: 4150800 779.9104 2069.3451 1967.6211 105.6514 -206215.1613 17996.8499 0.0000 0.0000 34391.7178 -148904.0657 300.3514 -183295.7834 -148804.0299 299.9548 51.6732 85.8777 558386.2690 3.0282 3.0129 PRESSURE: 4151000 -76.0521 47.8669 136.695 47.8673 -167.064 25.1258 136.695 25.1267 -362.652 GPRESSURE: 4151000 -35.2746 -17.3876 120.396 67.7076 -152.366 13.2082 157.851 80.5856 -320.735 PRESSAVG: 4151000 22.6598 62.2596 49.593 62.2596 7.13497 33.0593 49.5929 33.0593 -72.6652 GPRESSAVG: 4151000 22.527 61.0929 52.468 61.4662 6.24422 32.5625 48.1459 34.6335 -71.9925 TIMING: 4151000 CPU: 12063.1, 0.00288447/step Wall: 12063.1, 0.00288447/step, 0.680255 hours remaining, 208.003906 MB of memory in use. ENERGY: 4151000 732.7730 2083.1203 1946.0432 122.4680 -205584.5110 17512.1874 0.0000 0.0000 34416.7240 -148771.1949 300.5698 -183187.9190 -148675.3216 300.2181 -201.9226 -169.4588 559030.8762 -14.2901 -14.4071 PRESSURE: 4151200 145.055 88.8474 -23.5535 88.8486 -73.7925 134.615 -23.5524 134.614 -236.907 GPRESSURE: 4151200 195.101 58.702 -17.1049 72.3287 -54.1837 135.842 -44.4364 152.218 -213.146 PRESSAVG: 4151200 27.0075 15.5425 52.933 15.5424 61.3121 16.6603 52.933 16.6603 -36.9229 GPRESSAVG: 4151200 27.1416 16.0484 51.3207 14.9302 61.9484 16.0107 50.7026 18.7574 -37.8879 TIMING: 4151200 CPU: 12063.7, 0.00288994/step Wall: 12063.7, 0.00288994/step, 0.681383 hours remaining, 208.003906 MB of memory in use. ENERGY: 4151200 727.7163 2056.5077 1963.4430 108.5516 -205957.4002 17785.5651 0.0000 0.0000 34326.7741 -148988.8424 299.7843 -183315.6165 -148889.2382 300.1655 -55.2149 -24.0762 558810.3953 17.1322 17.0674 PRESSURE: 4151400 140.378 153.827 -190.306 153.827 -96.2849 120.053 -190.305 120.054 147.861 GPRESSURE: 4151400 170.97 206.788 -147.391 27.83 21.5855 92.0902 -273.966 85.8212 95.9871 PRESSAVG: 4151400 54.3338 -28.8126 -20.5591 -28.8125 -22.563 55.0745 -20.5592 55.0744 -27.7226 GPRESSAVG: 4151400 54.4681 -28.1996 -19.2976 -28.127 -22.2011 54.3544 -19.6405 52.8005 -28.1936 TIMING: 4151400 CPU: 12064.3, 0.00289295/step Wall: 12064.3, 0.00289295/step, 0.681933 hours remaining, 208.003906 MB of memory in use. ENERGY: 4151400 731.3565 2045.7413 1990.5014 118.3906 -206084.7178 17804.3933 0.0000 0.0000 34297.4491 -149096.8857 299.5282 -183394.3348 -149000.7505 299.6477 63.9847 96.1808 557557.4808 1.3494 1.3578 PRESSURE: 4151600 67.7538 -192.038 -94.1385 -192.038 340.027 188.195 -94.1393 188.194 13.7598 GPRESSURE: 4151600 80.3758 -163.816 -65.3631 -209.181 377.478 167.707 -147.315 143.552 76.2158 PRESSAVG: 4151600 54.5766 -57.0915 -84.4492 -57.0915 -29.7159 31.2252 -84.4493 31.2253 -55.4909 GPRESSAVG: 4151600 55.3359 -57.864 -85.1138 -55.9374 -31.5914 31.4098 -82.2973 32.5156 -54.4054 TIMING: 4151600 CPU: 12064.9, 0.00289891/step Wall: 12064.9, 0.00289891/step, 0.683176 hours remaining, 208.003906 MB of memory in use. ENERGY: 4151600 733.8687 2096.2507 1936.4718 113.3752 -206174.4255 17931.7291 0.0000 0.0000 34185.4586 -149177.2714 298.5501 -183362.7300 -149080.1740 299.0502 140.5137 178.0233 554982.8817 -10.2101 -10.2203 PRESSURE: 4151800 -87.2788 24.7749 81.7179 24.7768 -12.3101 -81.7358 81.7192 -81.7366 -218.711 GPRESSURE: 4151800 -82.8421 29.2945 147.717 11.2405 37.036 -75.2473 2.95777 -86.8925 -172.611 PRESSAVG: 4151800 2.83469 -119.484 7.66158 -119.484 -51.4235 24.1872 7.66154 24.1872 5.04323 GPRESSAVG: 4151800 2.14205 -117.814 7.04665 -121.273 -50.5633 25.9121 5.89043 23.9703 4.67805 TIMING: 4151800 CPU: 12065.5, 0.00291927/step Wall: 12065.5, 0.00291927/step, 0.687812 hours remaining, 208.003906 MB of memory in use. ENERGY: 4151800 748.5446 2129.4293 1983.8665 115.7953 -206248.3462 17763.0795 0.0000 0.0000 34446.9072 -149060.7237 300.8334 -183507.6310 -148964.5178 299.5453 -106.1001 -72.8059 557133.9293 -14.5152 -14.5811 PRESSURE: 4152000 129.103 -100.941 -42.4839 -100.942 -3.99557 19.8243 -42.4828 19.8262 89.3146 GPRESSURE: 4152000 203.048 -40.6404 -42.0452 -107.551 33.6165 38.3294 -70.3243 17.5568 69.3993 PRESSAVG: 4152000 -7.87506 -35.1369 21.3789 -35.137 11.5937 40.0158 21.3789 40.0158 -36.3325 GPRESSAVG: 4152000 -7.34834 -36.8674 21.1779 -33.3304 12.3009 36.5396 22.4433 41.875 -36.8672 TIMING: 4152000 CPU: 12066, 0.00289273/step Wall: 12066, 0.00289273/step, 0.681399 hours remaining, 208.003906 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: 4152000 726.1640 2073.5827 1956.6581 119.7736 -206228.6677 17811.5374 0.0000 0.0000 34472.8071 -149068.1448 301.0596 -183540.9520 -148969.2642 299.7739 71.4739 102.0214 556271.2801 -10.8713 -10.6382 PRESSURE: 4152200 -111.489 3.45347 68.2055 3.45304 -179.401 -19.908 68.2071 -19.9069 88.4921 GPRESSURE: 4152200 -37.1251 -54.7452 82.0492 15.8248 -176.03 -80.8984 93.4197 25.9162 114.789 PRESSAVG: 4152200 47.9779 -11.1714 39.6146 -11.1714 -72.8274 -19.4998 39.6147 -19.4998 27.2781 GPRESSAVG: 4152200 47.0278 -8.76867 41.1531 -13.8064 -74.1584 -16.2459 38.9929 -21.3518 29.2664 TIMING: 4152200 CPU: 12066.6, 0.00288473/step Wall: 12066.6, 0.00288473/step, 0.679353 hours remaining, 208.003906 MB of memory in use. ENERGY: 4152200 776.7856 2121.5284 1923.1794 112.3462 -206027.0381 17715.9500 0.0000 0.0000 34415.5170 -148961.7314 300.5593 -183377.2485 -148866.9347 300.3186 -67.4661 -32.7888 556779.8071 0.8096 0.7119 LDB: ============= START OF LOAD BALANCING ============== 12070.1 LDB: ============== END OF LOAD BALANCING =============== 12070.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12070.1 LDB: ============= START OF LOAD BALANCING ============== 12070.4 LDB: Largest compute 4848 load 0.029824 is 25.3% of average load 0.117884 LDB: Average compute 0.001731 is 1.5% of average load 0.117884 LDB: TIME 12070.4 LOAD: AVG 0.117884 MAX 0.181539 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 12070.4 LOAD: AVG 0.117884 MAX 0.181539 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 12070.4 LOAD: AVG 0.117884 MAX 0.181539 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: ============== END OF LOAD BALANCING =============== 12070.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12070.4 PRESSURE: 4152400 -53.0462 -36.5625 -52.0201 -36.5638 162.854 -40.1616 -52.0212 -40.1611 57.591 GPRESSURE: 4152400 1.71604 -107.273 -55.3213 76.8266 196.007 -29.0731 -42.9404 -67.7453 71.1343 PRESSAVG: 4152400 18.0661 -40.3164 2.6294 -40.3163 -47.8986 -29.4016 2.62937 -29.4016 -11.3526 GPRESSAVG: 4152400 20.0613 -43.8101 2.33137 -38.5406 -47.5021 -29.9073 2.49191 -29.7892 -13.3907 TIMING: 4152400 CPU: 12067.2, 0.00295404/step Wall: 12067.2, 0.00295404/step, 0.695511 hours remaining, 208.441406 MB of memory in use. ENERGY: 4152400 728.5981 2042.2130 1983.9474 123.6887 -205859.7849 17844.4891 0.0000 0.0000 34218.8056 -148918.0430 298.8413 -183136.8486 -148820.8742 300.6051 55.7996 89.6190 557398.2090 -13.7284 -13.6105 PRESSURE: 4152600 -84.7156 -14.5365 -147.532 -14.5365 -486.485 -124.368 -147.53 -124.37 -266.322 GPRESSURE: 4152600 -77.04 -130.444 -87.9792 12.1428 -420.719 -171.694 -213.484 -162.983 -229.694 PRESSAVG: 4152600 16.8396 -1.87576 -45.8481 -1.87575 -19.9143 -25.735 -45.8481 -25.7351 -17.9572 GPRESSAVG: 4152600 15.2294 -0.24441 -46.256 -1.85228 -19.9988 -25.1036 -44.6668 -26.1408 -16.507 TIMING: 4152600 CPU: 12067.8, 0.0029015/step Wall: 12067.8, 0.0029015/step, 0.682981 hours remaining, 208.644531 MB of memory in use. ENERGY: 4152600 735.7918 2100.4772 1948.3729 103.9215 -205607.7416 17324.1040 0.0000 0.0000 34372.9092 -149022.1648 300.1872 -183395.0741 -148927.5946 299.9899 -279.1740 -242.4844 558529.9655 -7.0106 -7.0921 PRESSURE: 4152800 -102.743 55.2855 -41.5544 55.2872 -70.4326 187.998 -41.5528 187.999 -161.567 GPRESSURE: 4152800 -73.8092 73.8445 -151.517 50.3521 -85.665 69.869 -8.53928 186.182 -69.0523 PRESSAVG: 4152800 25.7061 -5.02304 -49.9786 -5.02301 -42.1204 -24.988 -49.9786 -24.988 -20.9358 GPRESSAVG: 4152800 25.1345 -4.75904 -50.9494 -5.9975 -42.8095 -27.5388 -49.6366 -24.1605 -19.589 TIMING: 4152800 CPU: 12068.4, 0.00291108/step Wall: 12068.4, 0.00291108/step, 0.685075 hours remaining, 208.644531 MB of memory in use. ENERGY: 4152800 742.9408 2023.3475 1973.6489 115.0530 -205711.4064 17541.3906 0.0000 0.0000 34343.1908 -148971.8348 299.9276 -183315.0256 -148875.9445 299.2067 -111.5808 -76.1755 559872.1524 -12.4500 -12.4213 PRESSURE: 4153000 25.1716 104.971 -133.638 104.971 -147.743 127.39 -133.639 127.392 -171.917 GPRESSURE: 4153000 48.8513 143.801 -98.3086 99.3064 -127.497 61.3496 -189.48 142.243 -125.613 PRESSAVG: 4153000 -14.7984 19.2034 -49.9137 19.2034 -33.2121 -24.9805 -49.9137 -24.9805 65.7138 GPRESSAVG: 4153000 -14.4345 18.018 -48.745 21.5363 -31.5336 -24.4198 -51.6656 -25.1452 63.9698 TIMING: 4153000 CPU: 12068.9, 0.00289428/step Wall: 12068.9, 0.00289428/step, 0.680959 hours remaining, 208.644531 MB of memory in use. ENERGY: 4153000 734.2297 2086.2302 1951.6619 116.6244 -205940.9341 17656.3434 0.0000 0.0000 34328.8729 -149066.9715 299.8026 -183395.8444 -148965.2838 299.2175 -98.1630 -68.0861 558601.5650 5.9011 6.0006 PRESSURE: 4153200 53.47 -149.792 -53.3972 -149.792 53.81 -29.0534 -53.3972 -29.0536 45.0619 GPRESSURE: 4153200 -8.55811 -118.923 -113.363 -219.35 165.85 -62.8986 -104.162 -31.5952 84.8809 PRESSAVG: 4153200 8.5372 -25.5627 -51.563 -25.5627 -40.036 -33.3948 -51.563 -33.3949 33.6529 GPRESSAVG: 4153200 9.1799 -23.93 -52.2943 -25.4091 -40.0222 -33.9408 -52.5907 -32.5277 32.8031 TIMING: 4153200 CPU: 12069.5, 0.0028769/step Wall: 12069.5, 0.0028769/step, 0.67671 hours remaining, 208.644531 MB of memory in use. ENERGY: 4153200 739.9338 2047.4280 1938.0376 125.0200 -205636.4528 17659.8607 0.0000 0.0000 34087.1862 -149038.9866 297.6919 -183126.1727 -148950.6025 299.5119 50.7806 80.7244 558021.4002 0.7180 0.6536 PRESSURE: 4153400 -194.971 4.52211 87.6276 4.52206 -22.9779 -235.264 87.6281 -235.264 340.036 GPRESSURE: 4153400 -122.283 -5.60012 61.8208 -48.2785 3.50041 -177.093 148.568 -162.795 353.394 PRESSAVG: 4153400 -75.997 -8.12289 38.8791 -8.12284 5.771 -18.9836 38.8792 -18.9835 65.5921 GPRESSAVG: 4153400 -75.6463 -7.78971 38.488 -9.7537 4.1857 -15.1738 40.1917 -22.2159 66.5844 TIMING: 4153400 CPU: 12070.1, 0.0028897/step Wall: 12070.1, 0.0028897/step, 0.67956 hours remaining, 208.644531 MB of memory in use. ENERGY: 4153400 700.3304 2036.0570 1945.2285 117.3441 -206040.1112 17912.8587 0.0000 0.0000 34245.2369 -149083.0555 299.0722 -183328.2924 -148995.9897 299.5659 40.6958 78.2038 557878.9325 -1.5446 -1.6254 PRESSURE: 4153600 -178.018 -64.6692 -183.599 -64.6699 -165.766 15.675 -183.6 15.6749 -92.7462 GPRESSURE: 4153600 -146.407 -66.6625 -154.228 -93.9928 -122.424 0.102776 -149.038 3.057 -65.2386 PRESSAVG: 4153600 0.93107 -15.1651 4.97871 -15.165 12.2014 19.5725 4.97879 19.5724 22.7421 GPRESSAVG: 4153600 0.403232 -16.8925 5.02272 -13.0992 12.2891 17.7303 6.18092 19.9185 23.0897 TIMING: 4153600 CPU: 12070.7, 0.00288084/step Wall: 12070.7, 0.00288084/step, 0.677319 hours remaining, 208.644531 MB of memory in use. ENERGY: 4153600 739.1084 2112.1593 1981.2022 110.4560 -205596.8542 17366.7869 0.0000 0.0000 34124.1085 -149163.0330 298.0143 -183287.1414 -149066.2577 298.4870 -145.5100 -111.3567 557934.1027 11.9582 11.9273 PRESSURE: 4153800 75.0625 -76.0426 -96.3984 -76.042 -48.1475 -115.409 -96.3985 -115.409 -100.245 GPRESSURE: 4153800 112.104 -132.407 -70.7728 -42.8971 0.78495 -89.0991 -39.2834 -93.429 -91.3001 PRESSAVG: 4153800 49.2193 5.55628 -28.2897 5.55631 -21.8823 7.57777 -28.2896 7.57786 -54.7011 GPRESSAVG: 4153800 48.4758 5.56503 -29.3812 3.72171 -20.6815 6.81314 -29.5275 10.2697 -55.6347 TIMING: 4153800 CPU: 12071.2, 0.00286957/step Wall: 12071.2, 0.00286957/step, 0.674507 hours remaining, 208.644531 MB of memory in use. ENERGY: 4153800 745.9926 2115.8356 1958.4754 116.4870 -206375.8133 17805.4213 0.0000 0.0000 34384.4244 -149249.1768 300.2877 -183633.6012 -149152.0005 299.3496 -24.4432 7.1962 557003.4372 -9.1214 -9.2801 PRESSURE: 4154000 70.3231 -0.188361 -11.7101 -0.187972 -215.151 59.9159 -11.7114 59.916 -31.7076 GPRESSURE: 4154000 100.993 6.67836 40.4098 -14.0519 -191.489 97.9007 -76.2028 46.5191 -6.87007 PRESSAVG: 4154000 15.9186 -6.7766 -19.9749 -6.77664 24.3825 -8.69026 -19.9749 -8.69028 -40.2242 GPRESSAVG: 4154000 17.4004 -8.05738 -19.8011 -5.81294 23.9525 -9.4585 -20.6298 -10.2049 -41.1517 TIMING: 4154000 CPU: 12071.8, 0.00287942/step Wall: 12071.8, 0.00287942/step, 0.676663 hours remaining, 208.644531 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: 4154000 757.0750 2063.3208 1966.2400 115.0435 -206168.9237 17788.6415 0.0000 0.0000 34190.9612 -149287.6415 298.5982 -183478.6028 -149186.7131 299.4816 -58.8452 -32.4555 558141.1553 0.0256 0.0671 PRESSURE: 4154200 -154.865 -42.592 -80.883 -42.5915 161.315 -78.3189 -80.8826 -78.319 255.561 GPRESSURE: 4154200 -106.513 -19.1118 -73.1655 -9.76365 155.585 -127.434 -83.3491 7.66339 310.337 PRESSAVG: 4154200 -8.27831 -29.2089 -60.4959 -29.2088 12.905 -46.6723 -60.4959 -46.6723 -21.8012 GPRESSAVG: 4154200 -8.89328 -27.6365 -58.2486 -30.5933 11.9329 -44.1637 -58.6449 -47.1763 -20.9304 TIMING: 4154200 CPU: 12072.4, 0.00289156/step Wall: 12072.4, 0.00289156/step, 0.679357 hours remaining, 208.644531 MB of memory in use. ENERGY: 4154200 740.3477 2081.3557 1973.2454 128.4370 -206341.0718 17911.9234 0.0000 0.0000 34165.4312 -149340.3314 298.3752 -183505.7626 -149255.0012 299.2456 87.3372 119.8028 557669.5746 -5.7248 -5.9636 PRESSURE: 4154400 -58.6505 65.2393 -142.904 65.2401 -414.143 99.3202 -142.906 99.3197 -3.36295 GPRESSURE: 4154400 -26.2823 41.2945 -149.076 18.7315 -398.601 123.707 -142.748 -3.66981 44.5783 PRESSAVG: 4154400 -22.787 -30.8284 -2.43944 -30.8284 6.51211 -56.7228 -2.43943 -56.7229 -18.369 GPRESSAVG: 4154400 -23.2331 -30.9054 -5.23174 -31.2483 7.11566 -57.0747 -2.59786 -55.0576 -18.5506 TIMING: 4154400 CPU: 12073, 0.00288808/step Wall: 12073, 0.00288808/step, 0.678378 hours remaining, 208.644531 MB of memory in use. ENERGY: 4154400 754.6521 2122.4927 1941.7644 118.6690 -206190.5608 17755.1853 0.0000 0.0000 34214.7306 -149283.0667 298.8058 -183497.7973 -149193.4508 299.0852 -158.7187 -126.7684 558165.5809 -11.5480 -11.5560 PRESSURE: 4154600 -20.2814 68.7454 -199.957 68.7455 85.8051 101.752 -199.956 101.752 257.63 GPRESSURE: 4154600 -6.52739 119.489 -235.346 12.5272 98.8137 147.878 -140.828 72.1489 325.766 PRESSAVG: 4154600 -9.75309 -11.2109 -33.9504 -11.211 20.4878 -16.9473 -33.9504 -16.9473 49.8493 GPRESSAVG: 4154600 -8.54563 -11.9859 -33.5364 -12.7974 19.2017 -17.5479 -34.1151 -17.4491 49.7164 TIMING: 4154600 CPU: 12073.6, 0.00288625/step Wall: 12073.6, 0.00288625/step, 0.677789 hours remaining, 208.644531 MB of memory in use. ENERGY: 4154600 765.1572 2126.0587 1951.0866 102.1650 -206718.1136 18154.7194 0.0000 0.0000 34333.5353 -149285.3915 299.8433 -183618.9268 -149190.3753 298.4378 107.7179 139.3508 556595.2988 20.1947 20.1242 PRESSURE: 4154800 169.648 -72.1281 -151.977 -72.1277 -88.3342 -39.7543 -151.975 -39.7544 176.731 GPRESSURE: 4154800 130.042 -7.80323 -139.588 -40.8482 -13.6098 -2.61797 -88.4677 -74.8818 233.79 PRESSAVG: 4154800 -39.8057 51.9581 -48.2286 51.9579 -26.1444 -52.5753 -48.2285 -52.5753 52.2096 GPRESSAVG: 4154800 -41.4472 52.5893 -46.7055 53.5319 -24.814 -52.8743 -49.0575 -52.7566 52.5324 TIMING: 4154800 CPU: 12074.1, 0.00290387/step Wall: 12074.1, 0.00290387/step, 0.681765 hours remaining, 208.644531 MB of memory in use. ENERGY: 4154800 742.4716 2123.7470 1939.6056 110.8064 -206422.4860 18042.2191 0.0000 0.0000 34181.6070 -149282.0293 298.5165 -183463.6363 -149185.1410 299.1973 86.0152 116.7408 557592.6447 -4.5802 -4.5763 PRESSURE: 4155000 157.432 30.8393 34.3871 30.8383 251.494 -91.9266 34.3858 -91.9246 -39.6939 GPRESSURE: 4155000 207.055 79.5756 47.7959 -38.6763 292.367 -93.1855 0.44154 -95.063 -25.4183 PRESSAVG: 4155000 89.6461 22.8057 -13.8137 22.8057 -33.7658 -14.689 -13.8137 -14.6889 -48.3796 GPRESSAVG: 4155000 90.2575 23.657 -11.495 21.803 -34.4618 -12.9313 -14.4045 -16.0502 -48.049 TIMING: 4155000 CPU: 12074.7, 0.00288448/step Wall: 12074.7, 0.00288448/step, 0.677051 hours remaining, 208.644531 MB of memory in use. ENERGY: 4155000 753.3240 2077.4417 1963.7087 103.6818 -206644.5603 18177.9472 0.0000 0.0000 34179.4715 -149388.9853 298.4978 -183568.4568 -149288.8894 298.3871 123.0774 158.0013 558063.1573 2.5002 2.5822 PRESSURE: 4155200 4.68687 -204.993 23.9889 -204.992 104.311 -79.8017 23.9889 -79.8032 0.221164 GPRESSURE: 4155200 -27.2427 -177.225 47.3534 -205.809 209.134 -66.4509 55.677 -93.2723 23.5417 PRESSAVG: 4155200 -53.6011 -16.2262 18.5485 -16.2261 66.2385 -26.2755 18.5485 -26.2756 -15.8374 GPRESSAVG: 4155200 -54.9581 -17.2756 15.0423 -14.8624 67.8225 -27.3612 21.644 -25.5268 -15.969 TIMING: 4155200 CPU: 12075.3, 0.00287161/step Wall: 12075.3, 0.00287162/step, 0.673872 hours remaining, 208.644531 MB of memory in use. ENERGY: 4155200 727.0526 2110.0125 1995.4220 105.7780 -206453.9978 17883.0086 0.0000 0.0000 34298.5596 -149334.1644 299.5379 -183632.7240 -149229.0700 299.1197 36.4062 68.4775 558793.2646 -1.0666 -1.0349 PRESSURE: 4155400 -227.393 61.3128 -41.1737 61.3133 -430.676 -157.277 -41.1731 -157.277 -317.398 GPRESSURE: 4155400 -223.253 75.9743 18.8317 61.8856 -381.134 -170.093 -49.7249 -161.168 -268.478 PRESSAVG: 4155400 3.17887 -9.33439 20.4569 -9.3344 -48.8232 -12.0968 20.457 -12.0968 44.591 GPRESSAVG: 4155400 3.30885 -8.99238 22.0722 -10.4642 -48.3699 -11.0737 16.6966 -13.0123 44.3583 TIMING: 4155400 CPU: 12075.9, 0.00287228/step Wall: 12075.9, 0.00287228/step, 0.673868 hours remaining, 208.644531 MB of memory in use. ENERGY: 4155400 729.9616 2107.3193 1953.4024 101.4223 -205700.8982 17298.7172 0.0000 0.0000 34053.4577 -149456.6177 297.3973 -183510.0754 -149360.3351 298.4047 -325.1555 -290.9551 559298.7560 -0.3511 -0.2342 PRESSURE: 4155600 -48.3501 -30.3327 -40.1022 -30.3339 -206.877 -90.5572 -40.1011 -90.5571 127.923 GPRESSURE: 4155600 -19.0521 -1.56146 -1.82695 -27.7009 -147.371 -63.9456 -56.076 -58.3252 132.639 PRESSAVG: 4155600 -24.7647 12.204 0.524515 12.2041 -32.2693 -18.0628 0.524493 -18.0628 24.508 GPRESSAVG: 4155600 -23.5537 11.5444 0.528875 14.4948 -32.7613 -19.2021 2.75035 -18.9724 23.4822 TIMING: 4155600 CPU: 12076.4, 0.00288016/step Wall: 12076.4, 0.00288016/step, 0.675558 hours remaining, 208.644531 MB of memory in use. ENERGY: 4155600 741.6164 2104.8339 1951.1431 104.9890 -206511.7997 17781.9984 0.0000 0.0000 34314.0809 -149513.1380 299.6734 -183827.2189 -149419.3130 298.6227 -42.4348 -11.2613 556427.4705 -10.8420 -10.9443 PRESSURE: 4155800 67.9932 6.21838 17.9276 6.21957 -316.772 -85.9779 17.9273 -85.9782 -33.0338 GPRESSURE: 4155800 62.2998 31.0005 11.7355 45.6903 -293.733 -101.79 11.5363 -99.7918 40.7311 PRESSAVG: 4155800 9.59871 33.5524 -5.58141 33.5525 -27.6832 2.50294 -5.58137 2.5029 19.7515 GPRESSAVG: 4155800 9.0682 33.2711 -5.30306 34.0018 -27.2532 1.03593 -7.41333 3.53472 20.4197 TIMING: 4155800 CPU: 12077, 0.0028782/step Wall: 12077, 0.0028782/step, 0.674939 hours remaining, 208.644531 MB of memory in use. ENERGY: 4155800 761.6280 2056.3948 1965.6544 121.8910 -206156.1087 17690.6254 0.0000 0.0000 34048.3303 -149511.5847 297.3525 -183559.9151 -149416.1153 298.3462 -93.9374 -63.5674 555063.3393 0.5557 0.7449 PRESSURE: 4156000 148.492 108.01 -33.3102 108.01 181.576 -18.8739 -33.3078 -18.8743 172.719 GPRESSURE: 4156000 126.255 138.692 52.9532 63.4991 208.109 -58.0701 -95.226 23.6815 267.84 PRESSAVG: 4156000 -20.2041 30.8683 14.5822 30.8682 -16.0381 -36.8812 14.5822 -36.8812 43.1498 GPRESSAVG: 4156000 -19.9964 32.6133 14.0696 28.1958 -17.0037 -33.8678 16.1583 -36.7814 44.4342 TIMING: 4156000 CPU: 12077.6, 0.0028753/step Wall: 12077.6, 0.0028753/step, 0.674099 hours remaining, 208.734375 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: 4156000 776.2732 2078.7554 1985.4219 110.2382 -207058.4204 18306.9181 0.0000 0.0000 34472.5768 -149328.2369 301.0576 -183800.8137 -149232.5798 299.0476 167.5958 200.7348 555230.2219 2.3025 2.4780 PRESSURE: 4156200 458.615 -136.369 163.048 -136.368 -9.14749 119.725 163.047 119.723 -229.674 GPRESSURE: 4156200 531.603 -149.517 183.722 -133.174 -20.1582 66.878 178.833 142.206 -201.829 PRESSAVG: 4156200 37.2211 -0.266299 12.276 -0.266196 -70.196 30.6342 12.2761 30.6341 30.2632 GPRESSAVG: 4156200 38.4601 -1.25757 12.1337 0.71873 -70.1721 27.8586 13.037 30.2596 28.9961 TIMING: 4156200 CPU: 12078.2, 0.00288832/step Wall: 12078.2, 0.00288832/step, 0.676989 hours remaining, 208.734375 MB of memory in use. ENERGY: 4156200 744.1500 2090.8961 1955.6237 118.5588 -206649.2803 18109.0473 0.0000 0.0000 34483.7242 -149147.2801 301.1549 -183631.0043 -149042.8369 299.1136 73.2645 103.2053 557470.4058 -0.9039 -0.9053 LDB: ============= START OF LOAD BALANCING ============== 12081.6 LDB: ============== END OF LOAD BALANCING =============== 12081.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12081.6 LDB: ============= START OF LOAD BALANCING ============== 12081.9 LDB: Largest compute 4848 load 0.027219 is 23.1% of average load 0.117832 LDB: Average compute 0.001730 is 1.5% of average load 0.117832 LDB: TIME 12081.9 LOAD: AVG 0.117832 MAX 0.181398 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.625 MB LDB: TIME 12081.9 LOAD: AVG 0.117832 MAX 0.181398 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: TIME 12081.9 LOAD: AVG 0.117832 MAX 0.181398 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: ============== END OF LOAD BALANCING =============== 12081.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12081.9 PRESSURE: 4156400 56.4171 54.994 5.093 54.9944 30.1568 -23.9204 5.09305 -23.9192 -272.638 GPRESSURE: 4156400 74.6176 15.7816 -111.174 65.0853 90.4232 21.8829 37.8673 -40.8641 -252.53 PRESSAVG: 4156400 40.1674 14.1275 -78.0321 14.1275 29.1641 15.8105 -78.032 15.8106 -44.2458 GPRESSAVG: 4156400 39.1822 16.5039 -78.5318 12.0591 28.9355 18.2912 -77.5758 16.6059 -43.049 TIMING: 4156400 CPU: 12078.8, 0.00294092/step Wall: 12078.8, 0.00294092/step, 0.689157 hours remaining, 207.250000 MB of memory in use. ENERGY: 4156400 755.8157 2086.1456 2007.9593 107.6557 -206172.2551 17786.8358 0.0000 0.0000 34370.7115 -149057.1314 300.1680 -183427.8429 -148948.3268 300.0645 -62.0214 -29.1630 559430.6326 8.3619 8.3562 PRESSURE: 4156600 -12.2099 89.9186 -9.58204 89.9188 -65.6394 99.9114 -9.58164 99.9125 -48.1275 GPRESSURE: 4156600 40.9652 80.8109 -7.06076 125.935 -76.4088 49.4802 -9.93826 128.239 4.77423 PRESSAVG: 4156600 17.6114 14.3362 -24.1612 14.3362 -45.1457 46.3154 -24.1611 46.3154 -1.69644 GPRESSAVG: 4156600 18.6235 12.4246 -21.4438 16.0991 -45.2279 45.5039 -26.8349 47.136 -2.75465 TIMING: 4156600 CPU: 12079.3, 0.00289154/step Wall: 12079.3, 0.00289153/step, 0.677422 hours remaining, 207.453125 MB of memory in use. ENERGY: 4156600 728.3789 2153.0927 1938.5525 107.4408 -206151.4471 17817.6688 0.0000 0.0000 34367.0423 -149039.2711 300.1359 -183406.3134 -148942.5176 299.8334 -41.9923 -10.2231 560452.1721 -9.7436 -9.7864 PRESSURE: 4156800 -6.53243 -103.774 -43.4319 -103.774 192.811 186.387 -43.4312 186.387 -190.425 GPRESSURE: 4156800 53.5232 -83.4 -96.2307 -156.094 197.393 194.325 -67.2199 77.9329 -165.249 PRESSAVG: 4156800 5.95806 -33.0322 27.6843 -33.0321 -45.8367 -32.4144 27.6843 -32.4143 17.4417 GPRESSAVG: 4156800 5.16109 -33.6874 26.4716 -35.6904 -44.7956 -32.6689 29.0349 -33.5165 16.6854 TIMING: 4156800 CPU: 12079.9, 0.00288752/step Wall: 12079.9, 0.00288752/step, 0.676322 hours remaining, 207.453125 MB of memory in use. ENERGY: 4156800 767.7102 2103.3275 1965.0765 118.0727 -206447.9451 18006.2046 0.0000 0.0000 34393.6744 -149093.8792 300.3685 -183487.5536 -148992.6371 299.5637 -1.3824 28.5558 560393.0874 -7.4790 -7.6497 PRESSURE: 4157000 109.51 -47.1391 74.3499 -47.1395 245.937 -42.2163 74.3497 -42.215 99.5188 GPRESSURE: 4157000 118.685 -54.3866 14.3421 -102.067 324.813 -8.34892 82.1478 -60.548 126.788 PRESSAVG: 4157000 6.70793 -51.3447 9.48839 -51.3446 62.23 -38.3306 9.4884 -38.3306 -13.1148 GPRESSAVG: 4157000 5.58622 -54.1003 8.81736 -48.5227 62.2346 -38.6804 8.71798 -38.956 -11.8173 TIMING: 4157000 CPU: 12080.5, 0.00290815/step Wall: 12080.5, 0.00290815/step, 0.680993 hours remaining, 207.453125 MB of memory in use. ENERGY: 4157000 761.2625 2080.1083 1968.8013 112.0968 -206666.0466 18256.6358 0.0000 0.0000 34328.6635 -149158.4783 299.8008 -183487.1418 -149060.6199 299.3891 151.6552 190.0953 558892.0932 18.6077 18.6678 PRESSURE: 4157200 -79.6417 239.784 -220.109 239.783 -173.198 -78.5409 -220.109 -78.5423 -137.968 GPRESSURE: 4157200 -47.4308 284.011 -232.105 258.751 -100.584 -44.4089 -213.617 -92.5984 -140.362 PRESSAVG: 4157200 59.5239 10.6678 15.6491 10.6677 -4.78112 -30.931 15.649 -30.9312 -32.3547 GPRESSAVG: 4157200 60.5332 11.2262 18.1339 12.4443 -3.80799 -29.435 13.5225 -30.8893 -33.3955 TIMING: 4157200 CPU: 12081.1, 0.00288871/step Wall: 12081.1, 0.00288871/step, 0.676279 hours remaining, 207.453125 MB of memory in use. ENERGY: 4157200 809.6123 2123.3167 1974.9281 114.4375 -206113.9004 17750.9404 0.0000 0.0000 34226.4168 -149114.2487 298.9078 -183340.6655 -149015.8788 298.9922 -130.2695 -96.1256 558664.8526 7.4627 7.7766 PRESSURE: 4157400 42.5896 -174.892 27.0003 -174.892 2.94513 -104.965 26.9999 -104.964 55.5252 GPRESSURE: 4157400 92.3144 -145.012 -51.036 -111.895 -10.8001 -166.529 70.6069 -100.651 120.741 PRESSAVG: 4157400 -31.8655 35.1159 48.9233 35.1159 -8.42377 -25.3891 48.9232 -25.3891 38.4321 GPRESSAVG: 4157400 -31.4476 36.7348 47.2972 34.0289 -10.9976 -25.5804 50.6392 -24.7755 40.128 TIMING: 4157400 CPU: 12081.6, 0.00289473/step Wall: 12081.6, 0.00289473/step, 0.677528 hours remaining, 207.453125 MB of memory in use. ENERGY: 4157400 735.0613 2060.6531 1994.7351 118.4001 -206197.6754 17970.6711 0.0000 0.0000 34233.9764 -149084.1782 298.9738 -183318.1546 -148983.1485 299.4329 33.6866 67.4183 558424.9011 -0.6191 -0.7724 PRESSURE: 4157600 56.4891 78.2594 42.904 78.26 -403.158 25.4442 42.9037 25.4456 -86.1035 GPRESSURE: 4157600 63.5434 129.177 7.84313 114.515 -372.668 21.7496 67.2657 18.4414 -39.0704 PRESSAVG: 4157600 21.5926 17.9319 39.6192 17.932 -62.9671 -43.2983 39.6193 -43.2982 50.0196 GPRESSAVG: 4157600 20.5862 18.309 39.115 19.0344 -61.9547 -43.7902 41.3288 -44.6331 49.6123 TIMING: 4157600 CPU: 12082.2, 0.00288509/step Wall: 12082.2, 0.00288509/step, 0.675111 hours remaining, 207.714844 MB of memory in use. ENERGY: 4157600 750.5965 2123.9112 1957.3950 121.6763 -205820.2943 17730.5478 0.0000 0.0000 34094.0193 -149042.1481 297.7516 -183136.1674 -148940.4766 299.2768 -144.2574 -116.0650 560879.9060 2.8817 2.7480 PRESSURE: 4157800 -179.199 -16.1347 -121.14 -16.1362 -324.286 -38.902 -121.141 -38.9014 -190.546 GPRESSURE: 4157800 -136.391 -9.49414 -67.579 -106.834 -253.915 -154.291 -124.396 13.7797 -207.846 PRESSAVG: 4157800 -26.58 45.9133 -30.5385 45.9134 -72.2671 -16.5638 -30.5385 -16.5638 35.4155 GPRESSAVG: 4157800 -25.9663 46.154 -32.3382 42.8084 -72.4168 -17.1541 -31.3547 -16.1801 34.9043 TIMING: 4157800 CPU: 12082.8, 0.00289103/step Wall: 12082.8, 0.00289103/step, 0.67634 hours remaining, 207.957031 MB of memory in use. ENERGY: 4157800 786.8949 2121.5953 1950.7217 111.2882 -205979.6356 17695.7758 0.0000 0.0000 34192.0934 -149121.2662 298.6081 -183313.3597 -149020.5380 299.9173 -231.3439 -199.3841 560301.5625 -21.1439 -21.1596 PRESSURE: 4158000 -262.066 36.5685 -107.71 36.5679 30.684 -36.6913 -107.711 -36.6917 -16.6863 GPRESSURE: 4158000 -259.779 -80.8815 -86.1547 60.57 26.8686 -32.344 -74.6593 -70.4962 85.2303 PRESSAVG: 4158000 3.27695 12.6797 -35.2029 12.6798 6.20924 40.9135 -35.2029 40.9134 0.713106 GPRESSAVG: 4158000 2.75732 12.6523 -32.8127 14.6628 5.19808 39.7053 -37.0393 42.4788 1.98638 TIMING: 4158000 CPU: 12083.4, 0.00289768/step Wall: 12083.4, 0.00289768/step, 0.677736 hours remaining, 207.957031 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: 4158000 736.0920 2077.8263 1943.4875 105.4938 -206387.4062 17862.0294 0.0000 0.0000 34195.5617 -149466.9156 298.6383 -183662.4772 -149370.1324 298.8894 -82.6894 -49.2268 559754.2810 3.3998 3.3139 PRESSURE: 4158200 56.5209 70.7594 66.0839 70.7599 30.7012 40.0462 66.0832 40.0466 124.466 GPRESSURE: 4158200 77.7011 5.45133 57.5095 84.6231 56.7162 -67.869 46.1233 -0.766718 169.076 PRESSAVG: 4158200 76.926 17.6006 -25.9276 17.6007 -3.63979 4.79301 -25.9276 4.79316 -69.243 GPRESSAVG: 4158200 77.8091 16.1058 -26.558 18.8852 -3.46347 8.1657 -26.6675 2.39853 -70.1437 TIMING: 4158200 CPU: 12084, 0.00289691/step Wall: 12084, 0.00289691/step, 0.677394 hours remaining, 207.957031 MB of memory in use. ENERGY: 4158200 719.2101 2059.6930 1974.5073 114.3180 -206563.3058 18070.4084 0.0000 0.0000 34129.5440 -149495.6250 298.0618 -183625.1690 -149389.2623 298.2550 70.5627 101.1645 558798.3002 1.3477 1.4006 PRESSURE: 4158400 -43.3343 -10.597 125.506 -10.5969 109.491 59.4022 125.506 59.4008 89.0487 GPRESSURE: 4158400 -32.2779 -1.12269 113.852 2.90133 158.374 92.8639 123.52 59.7202 121.188 PRESSAVG: 4158400 21.919 -29.7169 -17.1326 -29.7168 -2.19789 14.1268 -17.1326 14.1269 24.4401 GPRESSAVG: 4158400 21.1608 -30.4348 -17.6838 -31.3759 -1.173 13.1545 -15.7433 16.8341 24.0119 TIMING: 4158400 CPU: 12084.5, 0.00290787/step Wall: 12084.5, 0.00290787/step, 0.679795 hours remaining, 207.957031 MB of memory in use. ENERGY: 4158400 726.3263 2078.6041 1944.4047 113.0508 -206311.6937 17919.7856 0.0000 0.0000 34100.3469 -149429.1754 297.8068 -183529.5223 -149322.2232 298.3028 51.7352 82.4283 557948.6506 14.7204 14.6666 PRESSURE: 4158600 -223.474 -5.99186 169.986 -5.99313 242.804 15.2161 169.988 15.2161 -14.2138 GPRESSURE: 4158600 -158.181 -74.9523 174.669 46.903 229.148 -18.158 132.119 -77.8173 20.9412 PRESSAVG: 4158600 -63.6962 -7.58572 66.7971 -7.58572 18.4632 50.8659 66.7971 50.8659 43.1077 GPRESSAVG: 4158600 -62.9979 -6.54919 64.9553 -6.94511 17.654 51.5152 67.4016 50.0036 42.8745 TIMING: 4158600 CPU: 12085.1, 0.00289626/step Wall: 12085.1, 0.00289626/step, 0.67692 hours remaining, 207.957031 MB of memory in use. ENERGY: 4158600 747.7022 2095.6976 1977.5584 103.0865 -206535.6818 18056.9278 0.0000 0.0000 34289.4588 -149265.2506 299.4584 -183554.7093 -149171.2845 299.0032 1.7053 30.6362 559048.2421 -0.7084 -0.8231 PRESSURE: 4158800 -35.5077 -72.048 159.465 -72.0484 -257.811 -119.836 159.466 -119.834 95.083 GPRESSURE: 4158800 24.7517 -16.4804 148.026 -64.876 -260.259 -106.276 194.293 -139.422 127.56 PRESSAVG: 4158800 13.4913 -91.3553 -12.6517 -91.3552 -52.5483 6.28881 -12.6518 6.28879 -10.1898 GPRESSAVG: 4158800 13.342 -90.8248 -11.6352 -90.766 -53.1328 3.47429 -13.802 7.55963 -9.2149 TIMING: 4158800 CPU: 12085.7, 0.00290018/step Wall: 12085.7, 0.00290018/step, 0.677675 hours remaining, 207.957031 MB of memory in use. ENERGY: 4158800 735.2552 2066.8534 1957.5467 118.6850 -206150.6348 17631.8203 0.0000 0.0000 34567.2763 -149073.1978 301.8846 -183640.4741 -148978.3182 299.3477 -66.0785 -35.9823 557606.6803 -16.4156 -16.3352 PRESSURE: 4159000 -186.196 -49.9209 55.3569 -49.9217 -77.659 -50.5321 55.3581 -50.5328 129.359 GPRESSURE: 4159000 -145.218 -53.5796 135.817 -22.3857 -39.2639 -102.809 -16.133 -6.34281 151.866 PRESSAVG: 4159000 -10.3671 21.6624 8.43845 21.6623 10.1562 -45.4104 8.43851 -45.4104 13.0835 GPRESSAVG: 4159000 -9.20445 22.6009 9.74877 20.5352 9.67267 -42.9378 8.46726 -49.677 12.5987 TIMING: 4159000 CPU: 12086.3, 0.00290478/step Wall: 12086.3, 0.00290478/step, 0.678588 hours remaining, 207.957031 MB of memory in use. ENERGY: 4159000 735.5531 2091.8992 1935.9124 105.0063 -205866.5330 17544.5830 0.0000 0.0000 34511.8992 -148941.6798 301.4010 -183453.5789 -148837.9123 299.8603 -44.8322 -10.8721 557119.7227 4.2909 4.3557 PRESSURE: 4159200 -123.538 -1.31113 -11.0035 -1.31166 -29.4867 -66.6085 -11.0053 -66.6075 -169.973 GPRESSURE: 4159200 -30.01 -53.4366 -35.7081 37.9915 -74.0439 -115.546 146.07 -32.5428 -130.378 PRESSAVG: 4159200 -2.13007 -6.42177 1.56911 -6.42183 12.7646 -42.348 1.56905 -42.3481 36.1552 GPRESSAVG: 4159200 -2.64411 -5.90659 0.928342 -5.82829 12.8682 -42.4051 2.09416 -40.878 36.3903 TIMING: 4159200 CPU: 12086.9, 0.00290083/step Wall: 12086.9, 0.00290083/step, 0.677505 hours remaining, 207.957031 MB of memory in use. ENERGY: 4159200 720.4683 2052.8778 2000.4896 115.9367 -205589.9118 17476.2099 0.0000 0.0000 34259.2182 -148964.7112 299.1943 -183223.9294 -148867.3444 299.7792 -107.6659 -78.1440 557606.5260 15.5966 15.5381 PRESSURE: 4159400 -13.7628 -136.606 57.8536 -136.606 -67.0511 -122.395 57.8537 -122.393 -65.9407 GPRESSURE: 4159400 41.4283 -143.14 -14.0158 -33.2942 -86.9016 -101.943 88.8503 -77.5885 -12.4191 PRESSAVG: 4159400 59.6216 -20.1198 -26.6559 -20.1197 -38.1189 13.1441 -26.6558 13.1442 -49.942 GPRESSAVG: 4159400 59.0454 -22.5093 -24.5673 -19.242 -37.7296 13.2845 -26.6691 14.4136 -49.5484 TIMING: 4159400 CPU: 12087.4, 0.00288762/step Wall: 12087.4, 0.00288762/step, 0.674258 hours remaining, 207.957031 MB of memory in use. ENERGY: 4159400 772.1149 2080.4572 1952.4149 114.4090 -205858.9584 17743.3314 0.0000 0.0000 34262.1605 -148934.0705 299.2200 -183196.2310 -148838.1053 299.5016 -48.9182 -19.2975 558102.7518 -9.4798 -9.4109 PRESSURE: 4159600 -92.3147 -57.3999 -106.259 -57.4011 45.2253 -15.0456 -106.26 -15.0461 -146.643 GPRESSURE: 4159600 -80.8477 -63.0977 -132.136 -112.285 121.187 68.5642 19.161 -12.7415 -140.883 PRESSAVG: 4159600 6.36573 -16.0659 -3.5812 -16.0658 36.2438 -58.2221 -3.58114 -58.2221 -32.642 GPRESSAVG: 4159600 6.85598 -14.2346 -5.47295 -17.8235 35.7431 -58.8777 -3.8976 -57.6549 -32.6389 TIMING: 4159600 CPU: 12088, 0.00290165/step Wall: 12088, 0.00290165/step, 0.677374 hours remaining, 207.957031 MB of memory in use. ENERGY: 4159600 724.5114 2194.7792 1960.9441 111.6324 -205852.0047 17608.1660 0.0000 0.0000 34216.5271 -149035.4446 298.8214 -183251.9717 -148948.8274 299.7600 -64.5775 -33.5146 557866.3724 3.3225 3.3201 PRESSURE: 4159800 126.571 -69.3539 36.4647 -69.3552 167.439 -27.9462 36.4633 -27.946 -86.7441 GPRESSURE: 4159800 129.021 -108.854 32.8481 -24.8147 190.418 -2.17812 -11.3807 -1.3949 -24.8885 PRESSAVG: 4159800 14.3082 -51.1245 18.817 -51.1245 -37.2722 9.94383 18.8171 9.94373 17.7781 GPRESSAVG: 4159800 13.2598 -49.3339 20.1009 -51.3825 -36.9518 8.33519 18.2802 9.8002 17.6572 TIMING: 4159800 CPU: 12088.6, 0.00291593/step Wall: 12088.6, 0.00291593/step, 0.680545 hours remaining, 207.957031 MB of memory in use. ENERGY: 4159800 736.8009 2071.1246 1979.7751 111.5429 -206172.8578 17928.5059 0.0000 0.0000 34205.7195 -149139.3889 298.7271 -183345.1084 -149045.7881 299.9682 69.0888 98.1837 555779.3884 -1.7286 -2.0116 PRESSURE: 4160000 53.2999 -75.0507 58.0021 -75.0505 -47.5691 55.8273 58.0025 55.8279 77.1654 GPRESSURE: 4160000 121.668 -101.197 4.08631 -18.8597 -26.8245 88.949 48.7261 73.3522 83.5931 PRESSAVG: 4160000 93.7375 -57.5974 -1.56313 -57.5974 -70.3442 -10.3015 -1.56321 -10.3015 -14.1335 GPRESSAVG: 4160000 94.6442 -59.6505 -1.28652 -56.1344 -70.7622 -9.30837 -1.80917 -11.062 -14.1917 TIMING: 4160000 CPU: 12089.2, 0.00290748/step Wall: 12089.2, 0.00290748/step, 0.678412 hours remaining, 207.957031 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: 4160000 711.1129 2138.2035 1986.3082 114.5971 -206144.0693 17678.5018 0.0000 0.0000 34325.9511 -149189.3946 299.7771 -183515.3458 -149101.8985 299.4824 27.6321 59.4788 555807.6153 3.0866 3.2301 PRESSURE: 4160200 -114.723 101.228 -20.6181 101.227 53.3433 -152.731 -20.6189 -152.731 3.17661 GPRESSURE: 4160200 -68.7095 106.1 87.6172 74.5063 122.618 -152.617 -54.3107 -137.522 -17.3234 PRESSAVG: 4160200 58.4166 -8.82442 39.1784 -8.82448 -15.6612 -48.9617 39.1785 -48.9617 -20.058 GPRESSAVG: 4160200 57.7367 -8.31576 39.2522 -9.12004 -15.7122 -48.8061 39.2837 -48.7482 -19.3126 TIMING: 4160200 CPU: 12089.8, 0.00289528/step Wall: 12089.8, 0.00289528/step, 0.675404 hours remaining, 207.957031 MB of memory in use. ENERGY: 4160200 721.7044 2040.0672 1942.1634 116.3852 -206385.7194 17855.5490 0.0000 0.0000 34645.5603 -149064.2899 302.5683 -183709.8502 -148969.9924 300.2187 -19.4011 12.1949 555579.0001 7.5658 7.5706 LDB: ============= START OF LOAD BALANCING ============== 12093.2 LDB: ============== END OF LOAD BALANCING =============== 12093.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12093.2 LDB: ============= START OF LOAD BALANCING ============== 12093.5 LDB: Largest compute 4848 load 0.028086 is 23.8% of average load 0.117823 LDB: Average compute 0.001729 is 1.5% of average load 0.117823 LDB: TIME 12093.5 LOAD: AVG 0.117823 MAX 0.181325 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.562 MB LDB: TIME 12093.5 LOAD: AVG 0.117823 MAX 0.181325 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: TIME 12093.5 LOAD: AVG 0.117823 MAX 0.181325 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: ============== END OF LOAD BALANCING =============== 12093.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12093.5 PRESSURE: 4160400 -82.1209 63.7641 -19.3525 63.7633 180.285 38.8524 -19.352 38.8535 -25.014 GPRESSURE: 4160400 3.95569 138.375 -20.2746 -25.333 125.121 70.9579 -103.032 74.6507 42.1723 PRESSAVG: 4160400 47.8876 33.7171 -13.2769 33.7172 -4.36244 -2.51396 -13.2769 -2.51404 -51.4116 GPRESSAVG: 4160400 47.4091 35.4506 -15.6946 32.1508 -4.40671 -3.89726 -13.9652 -0.0922995 -51.1368 TIMING: 4160400 CPU: 12090.4, 0.00296607/step Wall: 12090.4, 0.00296607/step, 0.691754 hours remaining, 208.203125 MB of memory in use. ENERGY: 4160400 707.2784 2113.3980 1941.4463 111.4998 -205992.7842 17676.1749 0.0000 0.0000 34341.8345 -149101.1523 299.9158 -183442.9868 -149002.5175 300.0627 24.3832 57.0830 556554.8048 -2.6288 -2.7115 PRESSURE: 4160600 -274.343 -44.4499 -126.513 -44.4503 -391.017 -89.1406 -126.514 -89.14 77.7191 GPRESSURE: 4160600 -237.201 -11.5097 -67.9933 -34.9963 -305.803 -76.9089 -136.897 -77.6715 49.7233 PRESSAVG: 4160600 41.9665 35.4874 -7.57268 35.4874 37.3057 -21.4247 -7.57264 -21.4246 -78.124 GPRESSAVG: 4160600 42.728 33.5118 -6.2894 36.7362 37.7012 -20.2652 -6.87471 -21.88 -79.2867 TIMING: 4160600 CPU: 12090.9, 0.00291782/step Wall: 12090.9, 0.00291782/step, 0.680338 hours remaining, 208.406250 MB of memory in use. ENERGY: 4160600 767.6457 2063.1532 1954.7659 112.5253 -205927.7729 17549.8213 0.0000 0.0000 34303.6838 -149176.1776 299.5826 -183479.8614 -149089.4565 299.1716 -195.8804 -164.4266 558000.2674 0.3827 0.3808 PRESSURE: 4160800 -48.7901 -73.7261 24.5844 -73.7268 -44.9 -167.064 24.5846 -167.065 -146.427 GPRESSURE: 4160800 -9.77712 -59.5451 34.8862 -89.7535 -28.1124 -193.771 92.9916 -100.551 -99.4549 PRESSAVG: 4160800 4.10184 -26.8689 7.59681 -26.8689 54.6986 -52.1666 7.59684 -52.1665 -46.0336 GPRESSAVG: 4160800 3.12524 -28.0977 6.35867 -27.5795 54.2763 -52.2756 6.35613 -53.5746 -44.6832 TIMING: 4160800 CPU: 12091.5, 0.00290965/step Wall: 12091.5, 0.00290965/step, 0.678273 hours remaining, 208.406250 MB of memory in use. ENERGY: 4160800 757.7010 2080.0296 1927.0446 115.9261 -206069.6426 17654.0944 0.0000 0.0000 34258.8093 -149276.0376 299.1907 -183534.8469 -149172.8402 299.2454 -80.0389 -45.7815 557004.2670 4.2556 4.2394 PRESSURE: 4161000 147.039 -141.502 -86.4799 -141.502 134.817 87.8961 -86.4797 87.8986 175.657 GPRESSURE: 4161000 178.168 -219.445 -56.9059 -170.683 166.185 89.1129 -74.6319 48.5873 220.512 PRESSAVG: 4161000 8.55629 -1.22663 20.6278 -1.22659 23.827 28.5131 20.6279 28.5131 -20.6412 GPRESSAVG: 4161000 9.39962 -0.383307 22.2184 0.0862799 23.9154 25.5366 20.9201 29.9522 -22.4511 TIMING: 4161000 CPU: 12092.1, 0.00291272/step Wall: 12092.1, 0.00291272/step, 0.678825 hours remaining, 208.406250 MB of memory in use. ENERGY: 4161000 747.3410 2012.4422 1943.7448 85.9198 -206489.9586 18079.9311 0.0000 0.0000 34361.3421 -149259.2377 300.0861 -183620.5797 -149161.1603 299.0371 152.5044 188.2883 556781.6741 3.9141 3.6213 PRESSURE: 4161200 -74.3155 -120.883 100.643 -120.884 43.5058 -46.7876 100.642 -46.7891 -47.5517 GPRESSURE: 4161200 -61.4902 -187.226 37.3825 -63.4916 62.6821 -57.1759 134.848 -21.1254 -5.56171 PRESSAVG: 4161200 -14.6352 -27.969 -0.696994 -27.969 -9.67905 11.137 -0.696835 11.1371 28.7023 GPRESSAVG: 4161200 -15.2924 -27.6175 -1.94518 -26.8813 -10.2766 12.846 1.00727 8.8049 29.8108 TIMING: 4161200 CPU: 12092.7, 0.00290996/step Wall: 12092.7, 0.00290996/step, 0.67802 hours remaining, 208.406250 MB of memory in use. ENERGY: 4161200 772.3061 2052.1815 1950.2872 110.1250 -206038.3124 17831.4449 0.0000 0.0000 34232.2402 -149089.7275 298.9587 -183321.9677 -149003.6557 299.4632 -26.1205 -1.4566 557789.4773 1.4627 1.4139 PRESSURE: 4161400 -274.469 -124.323 60.6768 -124.322 28.0823 -53.0786 60.6764 -53.08 -120.696 GPRESSURE: 4161400 -187.993 -82.6333 77.6233 -91.4351 48.4036 -64.6028 95.8445 -37.3171 -144.721 PRESSAVG: 4161400 72.0113 -16.2538 44.8925 -16.2538 -7.36012 45.287 44.8924 45.2871 -41.0094 GPRESSAVG: 4161400 71.9884 -14.7119 47.6528 -18.4895 -7.98708 45.9362 43.5941 45.9039 -40.4686 TIMING: 4161400 CPU: 12093.3, 0.0028889/step Wall: 12093.3, 0.0028889/step, 0.672953 hours remaining, 208.406250 MB of memory in use. ENERGY: 4161400 742.1078 2045.9680 1968.5179 110.9118 -205896.4801 17633.5329 0.0000 0.0000 34297.3555 -149098.0861 299.5273 -183395.4416 -149007.8290 299.5345 -122.3608 -94.7700 556879.3122 7.8806 7.8442 PRESSURE: 4161600 132.892 -97.3979 -15.1124 -97.3985 -91.0321 52.4697 -15.113 52.47 77.5972 GPRESSURE: 4161600 133.469 -121.398 87.0952 11.187 -27.9277 38.7008 -61.3457 58.4612 99.7944 PRESSAVG: 4161600 -21.6928 -19.134 -1.63683 -19.1339 22.4491 -5.89186 -1.63664 -5.89182 -22.1715 GPRESSAVG: 4161600 -22.9511 -20.2569 -2.1956 -17.9139 23.5759 -5.52169 -0.892047 -4.18425 -22.0197 TIMING: 4161600 CPU: 12093.8, 0.00289197/step Wall: 12093.8, 0.00289197/step, 0.673509 hours remaining, 208.406250 MB of memory in use. ENERGY: 4161600 742.4703 2099.1586 1979.6086 116.3012 -206115.9923 17805.4580 0.0000 0.0000 34129.3493 -149243.6462 298.0601 -183372.9955 -149146.3697 299.3808 39.8190 68.4454 557838.9123 -7.1384 -7.1317 PRESSURE: 4161800 -25.3429 -50.2139 26.4879 -50.2133 94.3447 -200.604 26.4879 -200.604 -168.252 GPRESSURE: 4161800 9.44709 -43.3251 13.4131 -120.078 119.213 -161.976 14.8938 -178.173 -129.21 PRESSAVG: 4161800 -6.48046 -71.2035 7.67543 -71.2035 95.5114 -51.313 7.67544 -51.3132 -63.9919 GPRESSAVG: 4161800 -6.73404 -70.2632 4.58016 -73.3253 96.5685 -50.9227 6.51518 -51.747 -64.6301 TIMING: 4161800 CPU: 12094.4, 0.0028887/step Wall: 12094.4, 0.0028887/step, 0.672586 hours remaining, 208.406250 MB of memory in use. ENERGY: 4161800 725.1685 2067.5788 1949.3873 120.4374 -206343.2865 17855.9511 0.0000 0.0000 34296.2958 -149328.4677 299.5181 -183624.7635 -149230.7110 299.1598 -33.0834 -0.1833 557782.7775 8.3463 8.4014 PRESSURE: 4162000 76.832 129.586 -53.2748 129.586 172.548 66.74 -53.2748 66.7399 -62.3634 GPRESSURE: 4162000 127.678 71.2234 7.89524 127.107 207.471 -44.3479 -13.7169 76.8394 -47.2661 PRESSAVG: 4162000 -78.5645 -4.71165 -16.2821 -4.71163 51.7772 -23.9932 -16.2821 -23.9932 5.14084 GPRESSAVG: 4162000 -77.4281 -6.72165 -15.0677 -2.87806 51.8195 -25.2667 -14.5182 -24.6523 4.4548 TIMING: 4162000 CPU: 12095, 0.00287934/step Wall: 12095, 0.00287934/step, 0.670247 hours remaining, 208.406250 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: 4162000 727.5491 2077.5952 1928.2332 115.1914 -206503.5029 17951.4198 0.0000 0.0000 34202.3179 -149501.1964 298.6973 -183703.5143 -149400.4066 298.6807 62.3389 95.9607 556840.1732 -7.2155 -7.0513 PRESSURE: 4162200 63.3043 -13.0218 60.1516 -13.0215 49.6992 -88.2967 60.1513 -88.2966 -177.505 GPRESSURE: 4162200 36.3701 -31.9299 -2.87428 -34.3058 75.6756 -157.68 69.5887 -37.9644 -76.4346 PRESSAVG: 4162200 -55.2303 37.9332 42.6328 37.9333 28.4407 15.1819 42.6328 15.182 -14.0017 GPRESSAVG: 4162200 -55.9291 37.0947 42.9979 39.238 28.0638 15.9292 41.2746 14.6244 -13.0511 TIMING: 4162200 CPU: 12095.6, 0.00290012/step Wall: 12095.6, 0.00290012/step, 0.674921 hours remaining, 208.406250 MB of memory in use. ENERGY: 4162200 757.0979 2183.0720 1937.8272 119.9279 -206525.6676 17857.2007 0.0000 0.0000 34371.5970 -149298.9449 300.1757 -183670.5419 -149203.1622 298.5992 -21.5004 11.8704 556033.6597 -13.5971 -13.6388 PRESSURE: 4162400 48.4142 -97.744 -82.5448 -97.7436 103.303 37.2595 -82.5466 37.2585 121.265 GPRESSURE: 4162400 112.322 12.319 -69.7383 -69.6232 158.221 -43.0829 -21.2491 73.9973 93.846 PRESSAVG: 4162400 -41.1237 -2.03886 -12.3763 -2.03879 47.5333 -9.23685 -12.3763 -9.23693 9.97857 GPRESSAVG: 4162400 -40.827 1.81311 -13.4738 -5.19968 47.1864 -7.10174 -10.3591 -9.08527 9.40636 TIMING: 4162400 CPU: 12096.2, 0.00288896/step Wall: 12096.2, 0.00288896/step, 0.672164 hours remaining, 208.406250 MB of memory in use. ENERGY: 4162400 735.4569 2110.9464 1941.3108 127.4970 -206552.4321 17892.5097 0.0000 0.0000 34172.7404 -149571.9709 298.4390 -183744.7112 -149468.7463 298.5956 90.9940 121.4632 557046.2802 5.4627 5.2552 PRESSURE: 4162600 132.002 -80.623 27.4535 -80.6234 -19.1592 8.26501 27.4535 8.26342 -113.415 GPRESSURE: 4162600 136.639 -60.5779 81.7107 -83.7794 15.786 -92.1323 27.5249 -27.1155 -42.8441 PRESSAVG: 4162600 -33.8957 -17.0243 51.1239 -17.0242 41.7467 11.6349 51.124 11.6349 1.88172 GPRESSAVG: 4162600 -34.6298 -20.2935 52.5285 -16.1145 41.3742 9.63731 49.8949 11.346 2.79062 TIMING: 4162600 CPU: 12096.7, 0.00289325/step Wall: 12096.7, 0.00289325/step, 0.673003 hours remaining, 208.406250 MB of memory in use. ENERGY: 4162600 781.0520 2119.4457 1937.1057 132.4259 -206717.2771 18060.2089 0.0000 0.0000 34053.7196 -149633.3192 297.3996 -183687.0389 -149527.7595 298.7789 -0.1909 36.5269 557029.9410 3.2443 3.1783 PRESSURE: 4162800 -325.715 -4.66097 -238.701 -4.66067 -171.103 -43.9158 -238.701 -43.915 -437.786 GPRESSURE: 4162800 -254.144 11.0328 -286.396 56.6206 -184.879 -61.881 -344.626 -9.82964 -397.813 PRESSAVG: 4162800 -13.4223 56.2974 -22.4142 56.2975 42.2147 -14.0186 -22.4143 -14.0187 -25.1737 GPRESSAVG: 4162800 -13.4143 55.8828 -23.1756 57.1126 43.0472 -12.405 -23.4887 -13.9095 -26.1368 TIMING: 4162800 CPU: 12097.3, 0.00290191/step Wall: 12097.3, 0.00290191/step, 0.674855 hours remaining, 208.406250 MB of memory in use. ENERGY: 4162800 729.1094 2104.9145 1965.6229 101.9328 -206018.2340 17269.9897 0.0000 0.0000 34027.0593 -149819.6053 297.1668 -183846.6647 -149724.6381 298.2807 -311.5346 -278.9454 558113.7559 1.2062 1.1654 PRESSURE: 4163000 -170.243 134.822 -15.7794 134.82 -193.552 18.5557 -15.7797 18.5553 -211.256 GPRESSURE: 4163000 -158.483 231.873 -48.7654 66.8527 -157.187 43.8252 14.3301 46.1183 -169.567 PRESSAVG: 4163000 0.852748 -5.54585 -10.64 -5.54597 -22.3806 55.4878 -10.6399 55.4878 29.5788 GPRESSAVG: 4163000 1.45214 -4.05198 -8.19103 -6.63119 -22.9924 52.4897 -12.2778 56.4885 29.9045 TIMING: 4163000 CPU: 12097.9, 0.00290016/step Wall: 12097.9, 0.00290016/step, 0.674288 hours remaining, 208.406250 MB of memory in use. ENERGY: 4163000 751.8556 2085.9020 1926.5446 109.8834 -206471.7755 17656.0333 0.0000 0.0000 34153.3488 -149788.2078 298.2697 -183941.5566 -149690.8543 297.2254 -191.6837 -161.7456 555991.4526 2.6836 2.7881 PRESSURE: 4163200 -200.032 62.2814 62.4524 62.2829 -292.036 112.362 62.4525 112.362 59.5919 GPRESSURE: 4163200 -181.114 -30.7319 54.3013 69.8771 -240.343 124.127 96.588 80.2006 81.1479 PRESSAVG: 4163200 -31.4527 9.88763 28.5465 9.88766 -28.7745 22.1589 28.5466 22.1589 18.0602 GPRESSAVG: 4163200 -32.8698 8.78957 28.2534 11.1795 -28.68 25.5231 30.6117 20.6824 19.4333 TIMING: 4163200 CPU: 12098.5, 0.00288944/step Wall: 12098.5, 0.00288944/step, 0.671635 hours remaining, 208.406250 MB of memory in use. ENERGY: 4163200 741.8022 2102.3285 1946.6296 106.7028 -206378.2095 17595.8634 0.0000 0.0000 34119.2334 -149765.6495 297.9718 -183884.8829 -149672.4749 297.4789 -144.1588 -113.4362 556982.7892 -14.0557 -14.0388 PRESSURE: 4163400 -18.3146 52.8454 98.6813 52.8455 270.165 146.382 98.682 146.381 -11.8972 GPRESSURE: 4163400 23.3571 120.721 113.263 -93.0847 300.509 172.517 119.38 142.312 8.12946 PRESSAVG: 4163400 2.63835 23.2226 4.28052 23.2224 -14.2994 14.4269 4.28057 14.427 5.07762 GPRESSAVG: 4163400 2.55007 25.481 4.83751 21.8331 -12.5174 13.5826 2.08306 14.7213 3.72753 TIMING: 4163400 CPU: 12099.1, 0.00290523/step Wall: 12099.1, 0.00290523/step, 0.675143 hours remaining, 208.406250 MB of memory in use. ENERGY: 4163400 728.8339 2129.0353 1948.0922 102.2641 -206888.4136 18058.9795 0.0000 0.0000 34156.4210 -149764.7877 298.2965 -183921.2087 -149668.9542 296.9299 79.9844 110.6651 556273.4300 -2.1945 -2.0799 PRESSURE: 4163600 51.7067 -59.546 -122.702 -59.5457 -48.8653 -11.8525 -122.702 -11.8519 260.636 GPRESSURE: 4163600 57.8465 -77.8529 -30.9904 -102.386 27.3278 118.943 -134.145 -0.0209995 269.531 PRESSAVG: 4163600 -35.8984 -44.4925 23.0353 -44.4927 14.7418 -0.633029 23.0354 -0.633029 33.7413 GPRESSAVG: 4163600 -35.7459 -47.3198 20.7922 -42.3725 13.6768 -1.96102 23.8249 2.31972 34.2413 TIMING: 4163600 CPU: 12099.6, 0.00290946/step Wall: 12099.6, 0.00290946/step, 0.675964 hours remaining, 208.406250 MB of memory in use. ENERGY: 4163600 733.9454 2144.4760 1950.1424 111.1437 -206863.5559 18168.3217 0.0000 0.0000 34038.9371 -149716.5896 297.2705 -183755.5267 -149622.9440 297.0582 87.8259 118.2353 556246.8657 4.1949 4.0574 PRESSURE: 4163800 -7.24414 -23.4208 85.9954 -23.4219 -156.458 12.6566 85.9964 12.6592 31.5297 GPRESSURE: 4163800 -18.544 -51.8331 206.433 -12.2264 -51.7743 -53.0179 -34.2635 45.3775 40.4833 PRESSAVG: 4163800 16.6905 -15.6879 8.27178 -15.688 -26.817 -1.86415 8.27178 -1.86419 33.1543 GPRESSAVG: 4163800 17.5795 -13.1708 10.7022 -19.9417 -27.4695 -1.54769 9.09881 -4.9532 32.9322 TIMING: 4163800 CPU: 12100.2, 0.00293002/step Wall: 12100.2, 0.00293002/step, 0.680579 hours remaining, 208.406250 MB of memory in use. ENERGY: 4163800 773.0233 2109.2774 1934.7423 116.7235 -206758.1081 17944.3011 0.0000 0.0000 34127.4183 -149752.6221 298.0432 -183880.0404 -149658.9097 298.2548 -44.0576 -9.9450 557383.5187 7.6759 7.6808 PRESSURE: 4164000 -33.1726 -52.3932 -2.88694 -52.3937 61.3436 76.6499 -2.88821 76.6487 240.525 GPRESSURE: 4164000 41.5481 -20.2964 -21.6016 4.92331 85.7635 54.9009 70.3397 85.2838 234.322 PRESSAVG: 4164000 -70.4402 -13.7621 -28.948 -13.7621 53.5993 -12.7668 -28.948 -12.7668 -23.0616 GPRESSAVG: 4164000 -71.0167 -12.0459 -29.8158 -11.5529 53.9872 -12.4006 -27.9446 -11.856 -22.3958 TIMING: 4164000 CPU: 12100.8, 0.00294224/step Wall: 12100.8, 0.00294224/step, 0.683254 hours remaining, 208.406250 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: 4164000 755.4675 2118.6892 1941.7897 117.6845 -206968.4128 18218.0634 0.0000 0.0000 34204.1876 -149612.5308 298.7137 -183816.7184 -149526.9872 297.9495 89.5653 120.5446 557796.7737 -13.3008 -13.1418 PRESSURE: 4164200 142.25 25.6948 -63.3281 25.6944 -111.766 47.3804 -63.3288 47.3798 -194.947 GPRESSURE: 4164200 180.523 3.41154 -86.9327 20.5008 -61.7076 17.526 -16.3036 92.6885 -193.794 PRESSAVG: 4164200 55.1767 11.6807 -18.5673 11.6807 28.841 7.20502 -18.5673 7.205 -41.7378 GPRESSAVG: 4164200 55.5288 9.03912 -18.0738 10.1826 29.17 8.25634 -20.977 6.72937 -42.0122 TIMING: 4164200 CPU: 12101.4, 0.00290386/step Wall: 12101.4, 0.00290386/step, 0.67418 hours remaining, 208.406250 MB of memory in use. ENERGY: 4164200 745.9966 2113.8763 1968.3856 111.7329 -206853.6468 17907.8796 0.0000 0.0000 34170.3081 -149835.4677 298.4178 -184005.7758 -149740.2188 298.4585 -54.8211 -24.9928 556841.0267 14.0933 14.2289 LDB: ============= START OF LOAD BALANCING ============== 12104.9 LDB: ============== END OF LOAD BALANCING =============== 12104.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12104.9 LDB: ============= START OF LOAD BALANCING ============== 12105.1 LDB: Largest compute 4848 load 0.026736 is 22.7% of average load 0.117822 LDB: Average compute 0.001730 is 1.5% of average load 0.117822 LDB: TIME 12105.1 LOAD: AVG 0.117822 MAX 0.178758 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.852 MB LDB: TIME 12105.1 LOAD: AVG 0.117822 MAX 0.178758 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: TIME 12105.1 LOAD: AVG 0.117822 MAX 0.178758 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12105.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12105.2 PRESSURE: 4164400 194.9 -84.9603 113.592 -84.9608 101.471 40.9607 113.59 40.9599 -167.428 GPRESSURE: 4164400 204.999 -49.0339 23.5216 -21.846 139.818 36.4286 130.666 46.5198 -119.387 PRESSAVG: 4164400 -42.7154 27.0864 65.4127 27.0865 90.7182 -26.9171 65.4129 -26.9172 -83.8473 GPRESSAVG: 4164400 -42.5278 27.2 65.3953 29.8543 90.0723 -25.3579 65.8955 -28.0102 -83.5108 TIMING: 4164400 CPU: 12102, 0.00295028/step Wall: 12102, 0.00295028/step, 0.684793 hours remaining, 207.660156 MB of memory in use. ENERGY: 4164400 784.9395 2120.5175 1954.6472 106.3272 -207065.7680 18220.4356 0.0000 0.0000 33989.4223 -149889.4787 296.8381 -183878.9010 -149800.0653 297.6750 42.9809 75.1434 555327.2761 -11.9482 -11.9888 PRESSURE: 4164600 -17.918 153.212 -33.6303 153.212 -97.8572 -12.377 -33.6304 -12.3773 86.2158 GPRESSURE: 4164600 28.2317 181.847 22.5623 131.133 -34.7659 -1.87706 -9.11652 17.9812 59.3279 PRESSAVG: 4164600 -23.506 -3.40617 -12.4146 -3.40611 45.0619 4.1257 -12.4146 4.12573 31.5501 GPRESSAVG: 4164600 -24.7005 -2.81572 -13.3798 -4.45538 45.7035 4.67919 -13.0667 3.73791 32.3031 TIMING: 4164600 CPU: 12102.6, 0.00290055/step Wall: 12102.6, 0.00290055/step, 0.673089 hours remaining, 207.707031 MB of memory in use. ENERGY: 4164600 747.5143 2096.6059 1963.0977 117.4455 -206692.0986 17869.6894 0.0000 0.0000 34148.7326 -149749.0133 298.2294 -183897.7459 -149650.0536 297.5613 -9.8531 17.5979 556875.9059 17.7020 17.7687 PRESSURE: 4164800 50.7305 38.7147 33.6813 38.7134 -49.3662 -1.74143 33.6816 -1.74242 -47.1708 GPRESSURE: 4164800 85.3264 54.138 43.831 18.0285 -73.572 -17.3614 48.0559 -21.2275 27.1231 PRESSAVG: 4164800 0.836823 41.9989 -47.9255 41.9989 7.61896 -18.4225 -47.9254 -18.4226 -15.4212 GPRESSAVG: 4164800 2.43007 40.3976 -48.5214 42.0334 6.51278 -18.6722 -47.3506 -18.3689 -15.5957 TIMING: 4164800 CPU: 12103.1, 0.00291437/step Wall: 12103.1, 0.00291437/step, 0.676133 hours remaining, 207.707031 MB of memory in use. ENERGY: 4164800 741.1553 2099.6342 1986.3010 104.5284 -206970.9272 17882.2127 0.0000 0.0000 34191.2643 -149965.8313 298.6008 -184157.0956 -149864.0711 297.8153 -15.2688 12.9592 556469.9590 -2.3218 -2.2176 PRESSURE: 4165000 204.94 -114.994 14.8371 -114.993 -136.394 0.306238 14.8378 0.304755 79.6497 GPRESSURE: 4165000 193.843 -165.452 96.4414 -26.5431 -112.741 23.2369 -27.5042 46.9458 159.545 PRESSAVG: 4165000 4.20486 20.4524 -54.1025 20.4524 21.2858 -33.6546 -54.1025 -33.6545 -12.0249 GPRESSAVG: 4165000 4.2944 22.2406 -52.3955 20.473 21.3837 -36.1863 -53.667 -31.8322 -11.4193 TIMING: 4165000 CPU: 12103.7, 0.00289725/step Wall: 12103.7, 0.00289725/step, 0.672002 hours remaining, 207.707031 MB of memory in use. ENERGY: 4165000 746.5102 2092.3436 1976.8529 105.7268 -207099.8997 18137.5215 0.0000 0.0000 34096.2804 -149944.6642 297.7713 -184040.9446 -149852.9949 297.4109 49.3985 80.2155 556502.3179 4.4886 4.7529 PRESSURE: 4165200 -41.3836 106.759 173.493 106.759 -249.504 112.564 173.494 112.562 156.106 GPRESSURE: 4165200 -10.545 64.5266 131.784 78.4544 -163.548 100.83 154.025 167.509 131.531 PRESSAVG: 4165200 30.1124 4.70847 -14.0845 4.7086 -55.5431 16.9313 -14.0844 16.9313 -0.942491 GPRESSAVG: 4165200 29.9659 4.17887 -15.0532 3.54268 -55.4779 18.9133 -15.2897 15.6473 -1.0446 TIMING: 4165200 CPU: 12104.3, 0.00287308/step Wall: 12104.3, 0.00287308/step, 0.666236 hours remaining, 207.707031 MB of memory in use. ENERGY: 4165200 779.7898 2034.9182 1968.0462 122.4964 -206742.0200 17974.2926 0.0000 0.0000 33888.5236 -149973.9531 295.9569 -183862.4768 -149878.4636 297.4001 -44.9271 -14.1874 558084.6127 -8.7911 -8.8522 PRESSURE: 4165400 192.618 -66.883 68.1463 -66.8832 211.105 16.823 68.1465 16.8235 153.531 GPRESSURE: 4165400 217.58 -13.7955 -33.9263 -87.697 278.359 -85.4283 97.2841 63.879 167.883 PRESSAVG: 4165400 -6.13766 2.78429 -2.13553 2.78445 25.9934 48.0487 -2.13548 48.0486 0.603104 GPRESSAVG: 4165400 -6.08246 4.8154 -3.28552 4.64093 25.0084 47.2861 -0.763426 49.0692 1.14875 TIMING: 4165400 CPU: 12104.9, 0.00289564/step Wall: 12104.9, 0.00289564/step, 0.671306 hours remaining, 207.707031 MB of memory in use. ENERGY: 4165400 771.7733 2032.9923 1962.0822 117.4895 -206812.3005 18187.0633 0.0000 0.0000 33860.8372 -149880.0625 295.7151 -183740.8998 -149784.6003 297.2469 185.7515 221.2738 554947.0781 6.8196 6.6916 PRESSURE: 4165600 -171.71 -71.8555 -117.544 -71.8535 -67.348 -10.9588 -117.544 -10.9581 62.335 GPRESSURE: 4165600 -39.0918 -170.054 -14.6962 -81.3983 -57.0776 3.19884 -139.864 -90.6626 12.0926 PRESSAVG: 4165600 29.3682 18.1075 -0.187723 18.1075 -53.9223 39.5205 -0.187713 39.5206 13.7759 GPRESSAVG: 4165600 30.3589 14.3777 0.682868 18.8083 -53.4212 39.1744 0.0193711 37.7353 11.6151 TIMING: 4165600 CPU: 12105.5, 0.00288489/step Wall: 12105.5, 0.00288489/step, 0.668654 hours remaining, 207.707031 MB of memory in use. ENERGY: 4165600 784.2752 2103.9274 1957.3834 114.6557 -206715.9779 17986.2501 0.0000 0.0000 33957.4193 -149812.0668 296.5586 -183769.4861 -149706.8803 297.1074 -58.9076 -28.0256 556906.8620 -3.5928 -3.8158 PRESSURE: 4165800 -87.2571 56.5905 1.39475 56.5911 -153.384 89.3842 1.39536 89.3834 -22.9152 GPRESSURE: 4165800 -64.7344 9.66817 -11.4827 86.2809 -151.404 63.84 -4.618 107.683 43.812 PRESSAVG: 4165800 13.4056 -14.2903 -9.2263 -14.2903 -48.7992 5.55436 -9.22637 5.5544 18.1194 GPRESSAVG: 4165800 12.9704 -12.2056 -9.70646 -15.112 -49.1992 4.81535 -9.58079 7.36184 18.8052 TIMING: 4165800 CPU: 12106, 0.00289611/step Wall: 12106, 0.00289611/step, 0.671094 hours remaining, 207.707031 MB of memory in use. ENERGY: 4165800 773.5182 2071.8763 1958.6503 110.0349 -206557.8638 17746.6477 0.0000 0.0000 33930.1285 -149967.0079 296.3203 -183897.1364 -149871.0168 297.3956 -87.8522 -57.4420 557389.6887 -5.7581 -5.8079 PRESSURE: 4166000 93.5152 35.4404 58.5825 35.4411 -33.8126 77.5191 58.5814 77.5194 29.563 GPRESSURE: 4166000 94.8593 58.8238 120.185 -4.27115 9.41134 51.8282 -62.6508 38.9209 69.5971 PRESSAVG: 4166000 -4.61692 38.273 17.1014 38.2731 -31.3352 -45.6875 17.1013 -45.6875 26.4005 GPRESSAVG: 4166000 -5.04451 39.2197 16.0247 36.7314 -31.2126 -45.7997 18.566 -47.4546 26.2578 TIMING: 4166000 CPU: 12106.6, 0.00288242/step Wall: 12106.6, 0.00288242/step, 0.667761 hours remaining, 207.707031 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: 4166000 700.7917 2103.5697 1933.4738 116.9000 -207076.6224 17977.5021 0.0000 0.0000 34309.1560 -149935.2291 299.6304 -184244.3851 -149830.3556 297.4022 29.7552 57.9559 556360.4297 -3.1839 -3.3331 PRESSURE: 4166200 119.283 -84.4688 72.4081 -84.4692 -81.6806 87.5426 72.4081 87.5416 -27.8987 GPRESSURE: 4166200 135.683 -5.95315 -27.9165 -119.737 3.4074 57.3187 116.117 168.889 -38.5034 PRESSAVG: 4166200 -7.18298 -3.64297 39.3888 -3.64303 2.51765 25.3893 39.3888 25.3893 29.9974 GPRESSAVG: 4166200 -5.78316 -4.39697 40.0285 -0.841793 1.8262 26.487 38.9617 26.3691 28.9995 TIMING: 4166200 CPU: 12107.2, 0.00287495/step Wall: 12107.2, 0.00287495/step, 0.66587 hours remaining, 207.707031 MB of memory in use. ENERGY: 4166200 731.4973 2082.2668 1937.1978 102.2301 -206802.8839 17946.9208 0.0000 0.0000 34224.5064 -149778.2648 298.8911 -184002.7712 -149678.3020 297.4653 3.2344 33.5290 556796.4026 8.4440 8.3475 PRESSURE: 4166400 24.4334 -150.314 -1.66832 -150.314 -79.4634 -107.586 -1.6668 -107.585 -101.39 GPRESSURE: 4166400 62.231 -95.9482 -26.5083 -113.835 -63.9824 -141.941 -1.54386 -117.892 -54.0917 PRESSAVG: 4166400 13.8751 -39.1675 22.092 -39.1675 -33.5494 1.0001 22.092 1.00017 13.6094 GPRESSAVG: 4166400 13.4126 -37.1987 22.4311 -40.717 -32.9832 1.79625 23.1755 0.202947 13.243 TIMING: 4166400 CPU: 12107.8, 0.00291213/step Wall: 12107.8, 0.00291213/step, 0.674321 hours remaining, 207.707031 MB of memory in use. ENERGY: 4166400 781.7895 2138.3040 1940.7262 100.3971 -206615.5039 17982.7701 0.0000 0.0000 34025.5926 -149645.9243 297.1540 -183671.5170 -149547.7744 297.7075 -52.1401 -18.6144 557648.2050 -2.0216 -2.1092 PRESSURE: 4166600 126.42 -44.3868 69.3386 -44.3878 113.401 -44.1555 69.337 -44.1556 162.04 GPRESSURE: 4166600 173.748 51.7866 75.6454 -91.5247 195.19 -88.7292 148.985 -89.722 135.291 PRESSAVG: 4166600 29.4795 18.931 35.9451 18.9309 23.3333 0.252824 35.9451 0.25279 -48.3183 GPRESSAVG: 4166600 29.2695 16.7835 37.9666 19.2045 21.2524 -3.79958 33.7128 1.27894 -46.3276 TIMING: 4166600 CPU: 12108.3, 0.00291757/step Wall: 12108.3, 0.00291757/step, 0.675416 hours remaining, 207.707031 MB of memory in use. ENERGY: 4166600 737.3328 2067.1124 1978.0614 110.2094 -206399.6996 18060.6755 0.0000 0.0000 34093.8764 -149352.4317 297.7503 -183446.3081 -149252.3746 298.0228 133.9536 168.0763 556295.0968 1.4982 1.3981 PRESSURE: 4166800 367.186 2.53414 13.4936 2.53577 -149.957 28.449 13.4928 28.448 31.2869 GPRESSURE: 4166800 378.465 -13.0503 -84.932 66.821 -127.651 -30.5349 80.3225 -32.594 93.4853 PRESSAVG: 4166800 18.8254 38.6342 -2.36712 38.6343 -65.053 18.2871 -2.36709 18.287 36.5485 GPRESSAVG: 4166800 17.648 38.4227 -3.6327 38.5095 -63.449 20.064 -2.36544 18.4351 35.9712 TIMING: 4166800 CPU: 12108.9, 0.00292153/step Wall: 12108.9, 0.00292153/step, 0.676173 hours remaining, 207.707031 MB of memory in use. ENERGY: 4166800 725.4974 2071.7428 1955.5702 111.2965 -206117.7156 17681.3810 0.0000 0.0000 34175.0823 -149397.1454 298.4595 -183572.2277 -149289.9751 298.6002 82.8386 114.7666 556163.3359 -3.2264 -3.2766 PRESSURE: 4167000 -156.542 10.4354 -77.2946 10.4358 -139.149 -7.67275 -77.2945 -7.67359 -163.395 GPRESSURE: 4167000 -119.889 -16.6511 -63.9652 59.3418 -55.3819 66.2977 -70.865 25.208 -184.958 PRESSAVG: 4167000 77.4999 27.846 5.44427 27.8461 -68.3502 1.52771 5.44418 1.52778 24.3038 GPRESSAVG: 4167000 78.0112 28.3975 7.27757 28.7073 -69.2421 1.94881 5.70716 1.47148 23.9225 TIMING: 4167000 CPU: 12109.5, 0.00291903/step Wall: 12109.5, 0.00291903/step, 0.675432 hours remaining, 207.707031 MB of memory in use. ENERGY: 4167000 739.6386 2065.8639 1940.2845 115.4490 -206050.6742 17564.7182 0.0000 0.0000 34292.9046 -149331.8153 299.4885 -183624.7199 -149236.7086 298.4468 -153.0285 -120.0764 557798.6760 11.1511 10.8972 PRESSURE: 4167200 -98.6174 63.7205 -82.1709 63.7205 -50.1817 99.8126 -82.1711 99.8118 133.075 GPRESSURE: 4167200 -69.817 93.8301 -124.933 -16.1687 -4.94898 -9.71403 -35.2709 182.68 142.311 PRESSAVG: 4167200 -41.0534 6.60597 3.57335 6.60603 -4.44686 36.2835 3.57329 36.2834 19.2138 GPRESSAVG: 4167200 -41.1973 6.83731 1.71271 3.61773 -4.21036 34.1496 4.69933 39.2995 18.8633 TIMING: 4167200 CPU: 12110.1, 0.00289564/step Wall: 12110.1, 0.00289564/step, 0.669857 hours remaining, 207.707031 MB of memory in use. ENERGY: 4167200 756.1474 2088.4155 1951.6744 109.3093 -206502.4237 17907.6593 0.0000 0.0000 34413.5923 -149275.6255 300.5425 -183689.2178 -149185.6688 298.5273 -5.2415 22.5149 556113.2151 -8.7622 -8.8481 PRESSURE: 4167400 -263.802 68.8211 -94.4774 68.8209 -264.663 -196.481 -94.4774 -196.482 -140.955 GPRESSURE: 4167400 -229.919 127.813 -117.352 18.837 -217.531 -162.069 -76.778 -193.717 -124.396 PRESSAVG: 4167400 -17.5359 46.1463 12.7496 46.1463 -14.4293 15.9311 12.7495 15.931 -4.54071 GPRESSAVG: 4167400 -17.8925 48.9761 11.8379 47.207 -13.0195 17.8035 11.7817 12.6913 -5.72424 TIMING: 4167400 CPU: 12110.7, 0.00287987/step Wall: 12110.7, 0.00287987/step, 0.666049 hours remaining, 207.707031 MB of memory in use. ENERGY: 4167400 755.9587 2127.6037 1970.4401 119.8888 -205854.8132 17498.6210 0.0000 0.0000 34292.1120 -149090.1888 299.4815 -183382.3008 -148993.0611 299.3761 -223.1398 -190.6154 557580.7113 -12.1686 -12.2121 PRESSURE: 4167600 -68.2875 64.8636 67.1736 64.8645 43.3525 -4.83386 67.1754 -4.83346 -88.686 GPRESSURE: 4167600 -13.2855 93.6975 40.1439 143.992 80.8639 -32.4824 111.658 -7.78409 -87.4028 PRESSAVG: 4167600 -24.8133 60.779 4.60299 60.779 35.9445 -17.1895 4.6031 -17.1895 -9.36529 GPRESSAVG: 4167600 -26.2472 58.1888 7.16099 61.0884 36.2761 -16.4506 2.43204 -16.6397 -7.80495 TIMING: 4167600 CPU: 12111.2, 0.00288806/step Wall: 12111.2, 0.00288806/step, 0.667784 hours remaining, 207.707031 MB of memory in use. ENERGY: 4167600 753.5522 2117.4866 1958.4502 104.9680 -206309.8117 17778.4416 0.0000 0.0000 34410.6610 -149186.2522 300.5169 -183596.9132 -149086.8872 299.9698 -37.8737 -6.6081 557814.0519 0.5886 0.7413 PRESSURE: 4167800 234.61 -161.738 18.9008 -161.738 -44.5143 26.0029 18.901 26.0035 142.699 GPRESSURE: 4167800 228.804 -96.6408 115.587 -132.224 23.9361 79.7005 -30.0944 69.0569 184.515 PRESSAVG: 4167800 70.3548 5.56027 -18.0262 5.5601 -51.4292 -18.4117 -18.0262 -18.4116 -9.12328 GPRESSAVG: 4167800 71.5227 5.21189 -20.3176 5.02836 -52.464 -21.4125 -15.8272 -18.0941 -9.13559 TIMING: 4167800 CPU: 12111.8, 0.00288046/step Wall: 12111.8, 0.00288046/step, 0.665865 hours remaining, 207.707031 MB of memory in use. ENERGY: 4167800 772.4763 2047.3232 1939.3347 115.7726 -206675.3733 18213.4650 0.0000 0.0000 34157.4875 -149429.5139 298.3058 -183587.0015 -149340.0066 299.4435 110.9315 145.7515 557077.5885 3.2674 3.3077 PRESSURE: 4168000 -134.337 -85.524 -83.6815 -85.5245 41.221 9.5823 -83.6828 9.58332 72.0603 GPRESSURE: 4168000 -109.384 -105.24 -50.3179 -71.2409 57.7303 27.2151 -146.689 -108.66 127.66 PRESSAVG: 4168000 -72.3987 -1.27101 -21.4845 -1.27086 32.3141 -39.8008 -21.4846 -39.8009 53.3416 GPRESSAVG: 4168000 -71.9452 1.01905 -22.3404 -1.91279 31.4869 -36.5894 -21.1134 -40.5106 54.2019 TIMING: 4168000 CPU: 12112.4, 0.00289281/step Wall: 12112.4, 0.0028928/step, 0.668559 hours remaining, 207.707031 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: 4168000 775.7416 2018.9645 1952.4031 117.4869 -206166.0901 17889.1271 0.0000 0.0000 33989.0878 -149423.2790 296.8352 -183412.3668 -149326.5422 298.8807 -7.0187 25.3351 555534.7427 4.4190 4.5812 PRESSURE: 4168200 -41.465 -59.6212 -19.7836 -59.6217 121.736 -105.243 -19.7843 -105.243 42.0851 GPRESSURE: 4168200 16.0604 -38.1546 4.96123 -101.991 67.1334 -172.772 -5.08785 -136.926 144.404 PRESSAVG: 4168200 12.393 -7.5391 39.3832 -7.53904 32.3142 -86.7173 39.3832 -86.7174 -40.7803 GPRESSAVG: 4168200 11.6456 -10.3665 39.7987 -6.95638 33.6289 -88.0662 39.2172 -85.9724 -41.4832 TIMING: 4168200 CPU: 12113, 0.00289422/step Wall: 12113, 0.00289422/step, 0.668727 hours remaining, 207.707031 MB of memory in use. ENERGY: 4168200 717.2250 2065.9207 1953.3789 113.0121 -206532.8989 17874.7611 0.0000 0.0000 34276.4416 -149532.1595 299.3447 -183808.6011 -149426.7039 297.9696 40.7855 75.8658 555863.3007 1.3090 1.2638 LDB: ============= START OF LOAD BALANCING ============== 12116.4 LDB: ============== END OF LOAD BALANCING =============== 12116.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12116.5 LDB: ============= START OF LOAD BALANCING ============== 12116.7 LDB: Largest compute 4848 load 0.026996 is 22.9% of average load 0.117774 LDB: Average compute 0.001741 is 1.5% of average load 0.117774 LDB: TIME 12116.7 LOAD: AVG 0.117774 MAX 0.17815 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.77 MB LDB: TIME 12116.7 LOAD: AVG 0.117774 MAX 0.17815 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.77 MB LDB: TIME 12116.7 LOAD: AVG 0.117774 MAX 0.17815 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12116.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12116.7 PRESSURE: 4168400 248.563 -45.8379 -56.5061 -45.8386 233.849 53.7049 -56.5071 53.7038 -24.6728 GPRESSURE: 4168400 291.331 -66.3853 -31.4018 19.0571 234.768 55.7763 -103.263 110.642 31.772 PRESSAVG: 4168400 0.206034 6.43208 21.6636 6.43203 -33.3924 -1.16281 21.6636 -1.16279 29.8182 GPRESSAVG: 4168400 1.82157 6.87869 23.8056 6.95168 -34.9199 -2.72036 19.6776 0.805369 30.1037 TIMING: 4168400 CPU: 12113.6, 0.00295902/step Wall: 12113.6, 0.00295902/step, 0.683534 hours remaining, 206.960938 MB of memory in use. ENERGY: 4168400 707.8346 2095.4006 1937.2960 112.3223 -206457.4168 18055.0939 0.0000 0.0000 34034.9662 -149514.5032 297.2358 -183549.4694 -149422.2044 297.3391 152.5797 185.9568 557151.9687 -1.1227 -0.9982 PRESSURE: 4168600 86.5987 76.78 -38.1185 76.7787 -13.1832 -243.443 -38.1182 -243.443 12.8088 GPRESSURE: 4168600 75.5785 60.9489 15.3292 -4.93795 24.2632 -244.649 -16.0149 -277.782 83.3232 PRESSAVG: 4168600 70.8037 14.0557 13.3548 14.0556 -19.1882 -20.4885 13.3548 -20.4885 -102.104 GPRESSAVG: 4168600 70.8107 15.371 9.22101 12.5281 -18.9795 -18.166 15.507 -22.4576 -102.071 TIMING: 4168600 CPU: 12114.2, 0.00289485/step Wall: 12114.2, 0.00289485/step, 0.66855 hours remaining, 206.960938 MB of memory in use. ENERGY: 4168600 694.5163 2062.8994 1973.1328 116.2485 -206471.7774 17781.9331 0.0000 0.0000 34315.4089 -149527.6383 299.6850 -183843.0472 -149431.1598 298.1644 28.7414 61.0550 557060.9756 -16.8294 -16.7467 PRESSURE: 4168800 312.396 82.9457 59.6667 82.9465 92.4885 -224.949 59.6673 -224.95 -156.21 GPRESSURE: 4168800 360.996 124.506 98.7656 75.6516 95.8501 -177.469 16.8233 -279.47 -114.639 PRESSAVG: 4168800 -7.79364 -30.1128 26.2049 -30.1128 -13.3369 -13.1281 26.2049 -13.1281 -4.7975 GPRESSAVG: 4168800 -9.26467 -29.7362 29.5562 -30.5653 -13.148 -13.3427 24.54 -13.9724 -4.25825 TIMING: 4168800 CPU: 12114.7, 0.00289609/step Wall: 12114.7, 0.00289609/step, 0.668676 hours remaining, 206.960938 MB of memory in use. ENERGY: 4168800 709.1765 2052.1030 1978.7425 106.8479 -206347.4222 17898.5927 0.0000 0.0000 34225.6023 -149376.3573 298.9007 -183601.9596 -149277.9422 298.9059 82.8916 114.0691 557584.1917 -8.6427 -8.8903 PRESSURE: 4169000 258.536 -127.142 -77.9504 -127.143 51.8701 126.241 -77.9503 126.24 20.5205 GPRESSURE: 4169000 281.875 -207.934 -60.6271 -55.0133 98.5306 65.4444 -126.148 22.5679 40.715 PRESSAVG: 4169000 -67.0198 -30.8655 -7.49799 -30.8655 10.587 -33.2378 -7.49802 -33.238 27.8887 GPRESSAVG: 4169000 -66.4202 -31.47 -9.89853 -28.1983 9.09963 -35.1243 -7.17365 -31.1614 28.9063 TIMING: 4169000 CPU: 12115.3, 0.0028915/step Wall: 12115.3, 0.0028915/step, 0.667455 hours remaining, 206.960938 MB of memory in use. ENERGY: 4169000 726.5304 2114.7953 1982.5811 105.2148 -206393.8990 18044.3529 0.0000 0.0000 34043.3846 -149377.0400 297.3093 -183420.4245 -149273.9130 298.4524 110.3087 140.3736 557132.1088 -9.5147 -9.4714 PRESSURE: 4169200 -44.6791 91.932 -63.7814 91.9325 -72.4067 -24.9633 -63.7805 -24.9645 185.296 GPRESSURE: 4169200 29.6355 123.014 -82.6999 54.3257 -59.7763 -55.2393 -71.002 38.7029 196.839 PRESSAVG: 4169200 -4.7006 -3.8448 -17.186 -3.84487 4.89541 -0.64133 -17.186 -0.641158 -18.1127 GPRESSAVG: 4169200 -4.68352 -2.00863 -14.6377 -6.32244 6.98819 0.25704 -15.8817 -2.0437 -21.002 TIMING: 4169200 CPU: 12115.9, 0.00287582/step Wall: 12115.9, 0.00287582/step, 0.663675 hours remaining, 206.960938 MB of memory in use. ENERGY: 4169200 751.3525 2080.3637 1944.1316 109.5425 -206459.3219 17958.5310 0.0000 0.0000 34216.3516 -149399.0491 298.8199 -183615.4007 -149301.4792 297.9977 22.7368 55.5662 558008.7618 -5.9726 -6.2324 PRESSURE: 4169400 -307.727 17.5986 -42.4891 17.5997 112.958 41.7259 -42.4893 41.7266 191.121 GPRESSURE: 4169400 -222.814 21.2865 -99.5238 73.0549 143.071 43.6862 12.7311 88.1166 161.844 PRESSAVG: 4169400 -14.6623 -36.846 -18.2934 -36.8459 -4.64389 -29.8144 -18.2934 -29.8145 -6.27455 GPRESSAVG: 4169400 -14.9 -38.3392 -20.4384 -34.9494 -3.75523 -28.176 -18.1461 -30.7648 -5.83616 TIMING: 4169400 CPU: 12116.5, 0.00288353/step Wall: 12116.5, 0.00288353/step, 0.665293 hours remaining, 206.960938 MB of memory in use. ENERGY: 4169400 723.3071 2058.1427 1960.3771 112.3167 -206514.0583 18047.3430 0.0000 0.0000 34144.2285 -149468.3430 298.1900 -183612.5715 -149373.1770 298.5295 -1.2156 27.3672 558617.5974 -8.5269 -8.1638 PRESSURE: 4169600 31.5172 19.0326 -166.402 19.0314 192.408 12.8302 -166.401 12.8328 150.979 GPRESSURE: 4169600 41.9614 -70.0826 -145.737 105.188 219.33 1.09088 -201.895 31.6433 198.76 PRESSAVG: 4169600 25.03 -65.6596 -16.7511 -65.6595 17.1419 13.8545 -16.751 13.8545 -38.4329 GPRESSAVG: 4169600 25.4524 -64.4433 -16.3848 -67.1114 16.716 14.3141 -16.7069 13.8647 -37.9894 TIMING: 4169600 CPU: 12117, 0.00288424/step Wall: 12117, 0.00288424/step, 0.665299 hours remaining, 206.960938 MB of memory in use. ENERGY: 4169600 732.8974 2068.6708 1953.3679 111.4245 -206113.7475 17865.2638 0.0000 0.0000 33989.9003 -149392.2228 296.8423 -183382.1231 -149307.1031 297.9356 124.9681 153.3503 558162.1006 1.2463 1.3930 PRESSURE: 4169800 -54.1193 -65.7194 -11.6445 -65.7203 25.1013 27.9297 -11.6442 27.9298 -418.378 GPRESSURE: 4169800 12.9456 -24.382 -79.0185 -51.1134 69.5891 45.4181 -18.8189 44.1617 -431.339 PRESSAVG: 4169800 22.241 8.95936 10.7844 8.95947 -6.18332 35.967 10.7843 35.967 -18.4719 GPRESSAVG: 4169800 21.9884 7.61236 11.2154 9.37686 -6.17685 31.5175 9.67153 38.8273 -17.7976 TIMING: 4169800 CPU: 12117.6, 0.00288657/step Wall: 12117.6, 0.00288657/step, 0.665674 hours remaining, 206.960938 MB of memory in use. ENERGY: 4169800 734.2511 2123.6550 1963.0892 112.8471 -206173.4451 17662.9360 0.0000 0.0000 34235.2159 -149341.4506 298.9847 -183576.6666 -149246.6290 299.0043 -149.1319 -116.2682 559239.7392 -0.8048 -0.6620 PRESSURE: 4170000 -18.6002 -98.297 20.5087 -98.2971 290.988 32.1471 20.5087 32.1486 300.384 GPRESSURE: 4170000 42.7875 -122.078 61.9783 -93.2834 313.338 16.7199 72.2977 -9.69708 304.279 PRESSAVG: 4170000 30.0076 19.2755 -11.5177 19.2754 -76.5275 22.7932 -11.5178 22.7932 40.6483 GPRESSAVG: 4170000 30.1913 20.3404 -11.2301 19.2477 -76.9388 26.8707 -10.5299 20.5453 41.0252 TIMING: 4170000 CPU: 12118.2, 0.00289227/step Wall: 12118.2, 0.00289227/step, 0.666829 hours remaining, 206.960938 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: 4170000 717.5306 2054.2628 1949.4756 112.9779 -206863.5921 18150.5622 0.0000 0.0000 34434.8166 -149443.9665 300.7278 -183878.7831 -149350.9582 299.2089 190.9238 220.1349 557409.5131 -1.9572 -1.9074 PRESSURE: 4170200 -305.229 -45.4167 -64.6407 -45.4179 -66.6343 -77.7713 -64.6414 -77.7708 61.7145 GPRESSURE: 4170200 -209.321 -59.6178 -38.6002 16.733 -56.0445 -152.391 -59.1429 -62.3017 54.3891 PRESSAVG: 4170200 -15.2478 -44.3529 -30.8861 -44.3529 -19.0251 41.275 -30.886 41.275 21.2961 GPRESSAVG: 4170200 -15.6494 -45.5928 -32.9187 -45.2707 -18.1794 39.9754 -29.8692 42.4296 21.0107 TIMING: 4170200 CPU: 12118.8, 0.00287044/step Wall: 12118.8, 0.00287044/step, 0.661637 hours remaining, 206.960938 MB of memory in use. ENERGY: 4170200 758.3585 2104.5497 1946.7901 104.9376 -206537.7287 17789.4116 0.0000 0.0000 34377.2369 -149456.4443 300.2250 -183833.6812 -149364.2355 299.2537 -103.3830 -70.3254 556503.7710 -4.3256 -4.2727 PRESSURE: 4170400 -81.5473 -53.8144 -125.644 -53.8133 -148.484 9.71874 -125.642 9.71771 -98.8784 GPRESSURE: 4170400 -69.4029 -28.1339 -65.469 -122.686 -100.348 -23.9877 -182.439 51.9065 -58.975 PRESSAVG: 4170400 17.6755 -65.041 -49.6884 -65.041 0.924575 33.042 -49.6884 33.042 56.2773 GPRESSAVG: 4170400 18.409 -65.8068 -48.0977 -62.2734 1.19869 31.0535 -49.4544 32.8515 55.5102 TIMING: 4170400 CPU: 12119.3, 0.00288041/step Wall: 12119.3, 0.00288041/step, 0.663773 hours remaining, 206.960938 MB of memory in use. ENERGY: 4170400 785.2463 2107.0218 1924.4580 100.8012 -206313.9463 17773.4170 0.0000 0.0000 34091.5648 -149531.4373 297.7301 -183623.0021 -149437.9942 299.1496 -109.6365 -76.2421 557784.0893 24.9592 25.0393 PRESSURE: 4170600 143.218 81.8377 43.9703 81.8359 -8.47205 -149.492 43.9709 -149.494 -94.1576 GPRESSURE: 4170600 142.5 42.8685 -50.5968 108.651 49.2999 -153.32 106.628 -233.208 -50.5726 PRESSAVG: 4170600 60.0778 17.8125 -45.5579 17.8125 -44.3757 31.6301 -45.558 31.6299 -15.2029 GPRESSAVG: 4170600 59.5466 16.493 -44.8519 17.1155 -43.1317 32.194 -46.4889 32.3246 -15.6715 TIMING: 4170600 CPU: 12119.9, 0.00290825/step Wall: 12119.9, 0.00290825/step, 0.670029 hours remaining, 206.960938 MB of memory in use. ENERGY: 4170600 720.3796 2124.2093 1963.9400 110.4969 -206345.0614 17778.3095 0.0000 0.0000 34278.6252 -149369.1009 299.3638 -183647.7261 -149274.0283 298.6573 13.5296 47.0759 556558.6431 0.1664 0.2478 PRESSURE: 4170800 80.0818 143.423 -131.605 143.423 -133.049 6.35968 -131.606 6.3592 -63.6909 GPRESSURE: 4170800 154.131 70.8553 -174.746 164.417 -161.005 -7.29815 -63.5796 -29.4009 -10.1294 PRESSAVG: 4170800 23.9526 2.98529 27.418 2.98534 -25.493 -2.969 27.4181 -2.96899 -4.01176 GPRESSAVG: 4170800 22.8534 3.30291 26.9001 2.36754 -26.138 -3.00612 28.2298 -3.37352 -2.44446 TIMING: 4170800 CPU: 12120.5, 0.00288574/step Wall: 12120.5, 0.00288574/step, 0.664681 hours remaining, 206.960938 MB of memory in use. ENERGY: 4170800 761.2037 2130.6112 1975.6334 114.3905 -206499.2105 17798.7477 0.0000 0.0000 34249.5843 -149469.0397 299.1101 -183718.6240 -149376.4133 298.3896 -38.8859 -5.6678 557845.5993 -1.8507 -1.9097 PRESSURE: 4171000 96.2331 -54.2971 30.9974 -54.2962 -72.2297 130.768 30.9983 130.767 23.7643 GPRESSURE: 4171000 84.6588 -50.9946 47.0379 -38.8181 -7.91267 168.569 21.1393 91.3503 66.434 PRESSAVG: 4171000 46.3472 30.6829 58.7432 30.6829 -71.8834 12.4767 58.7432 12.4767 -4.39033 GPRESSAVG: 4171000 44.8723 33.7982 58.7773 29.692 -71.1885 14.9779 56.2396 13.0779 -3.52984 TIMING: 4171000 CPU: 12121.1, 0.00292561/step Wall: 12121.1, 0.00292561/step, 0.673702 hours remaining, 206.960938 MB of memory in use. ENERGY: 4171000 754.3793 2141.1310 1976.0288 121.0931 -206608.7121 17943.4206 0.0000 0.0000 34272.1362 -149400.5231 299.3071 -183672.6593 -149305.6876 298.4948 15.9226 47.7267 557832.1415 -9.9755 -9.9487 PRESSURE: 4171200 -24.5843 147.006 10.2844 147.006 -83.4825 -76.76 10.2863 -76.7588 -70.171 GPRESSURE: 4171200 12.1677 184.693 26.9104 196.978 -81.5527 -70.0011 -7.25538 -121.497 -15.4403 PRESSAVG: 4171200 32.8188 57.537 -3.73756 57.5369 -5.79603 -43.3898 -3.73756 -43.3897 -30.0281 GPRESSAVG: 4171200 35.6767 56.6151 -2.80472 56.3279 -7.44341 -44.5962 -4.73669 -44.854 -31.4876 TIMING: 4171200 CPU: 12121.7, 0.00290646/step Wall: 12121.7, 0.00290646/step, 0.669132 hours remaining, 206.960938 MB of memory in use. ENERGY: 4171200 767.6502 2141.5594 1962.1647 104.5844 -206713.4736 18064.0217 0.0000 0.0000 34181.3957 -149492.0975 298.5146 -183673.4932 -149401.0101 299.2678 -59.4126 -28.2751 558689.9720 -1.0018 -1.0848 PRESSURE: 4171400 -200.48 46.5427 -61.4545 46.5426 -356.207 -17.5647 -61.4533 -17.5664 -51.7305 GPRESSURE: 4171400 -223.317 -0.237008 -107.584 -5.98219 -261.982 -48.4541 5.8073 -26.7122 -30.7295 PRESSAVG: 4171400 30.1545 -10.3478 -6.15734 -10.3478 -44.12 -4.97796 -6.15739 -4.97796 2.54692 GPRESSAVG: 4171400 29.0682 -11.3471 -4.67937 -9.44519 -44.5534 -3.42503 -5.77714 -5.72834 3.96017 TIMING: 4171400 CPU: 12122.3, 0.00292169/step Wall: 12122.3, 0.00292169/step, 0.672476 hours remaining, 206.960938 MB of memory in use. ENERGY: 4171400 750.8829 2112.9707 1967.3740 117.2456 -206253.7821 17694.6923 0.0000 0.0000 34006.2525 -149604.3641 296.9851 -183610.6167 -149506.0118 297.8091 -202.8058 -172.0098 558608.0343 -3.8062 -3.8417 PRESSURE: 4171600 -156.166 102.715 3.79115 102.715 -112.97 -213.17 3.79204 -213.169 -113.209 GPRESSURE: 4171600 -146.032 85.5197 1.79072 45.0291 -62.5718 -175.895 -12.94 -288.645 -90.0865 PRESSAVG: 4171600 -13.9356 2.95883 -27.3952 2.95879 -21.2779 21.1615 -27.3951 21.1615 19.3111 GPRESSAVG: 4171600 -12.8927 4.32883 -28.0031 1.68198 -20.4966 18.7468 -26.323 25.0623 17.8594 TIMING: 4171600 CPU: 12122.8, 0.00292327/step Wall: 12122.8, 0.00292327/step, 0.672677 hours remaining, 206.960938 MB of memory in use. ENERGY: 4171600 746.3013 2110.7568 1953.7523 121.9114 -206276.0394 17684.1479 0.0000 0.0000 34238.9887 -149420.1810 299.0176 -183659.1697 -149325.5557 298.2735 -127.4481 -99.5636 557827.8824 -5.3008 -5.1766 PRESSURE: 4171800 137.015 -43.7545 -104.104 -43.7555 88.1353 -15.056 -104.104 -15.0573 76.7893 GPRESSURE: 4171800 94.8894 -121.237 -30.0755 -65.6588 135.982 -83.2459 -124.834 25.1514 178.722 PRESSAVG: 4171800 52.9247 28.7373 -1.03744 28.7373 -25.0636 -10.3085 -1.03738 -10.3086 -18.2474 GPRESSAVG: 4171800 52.8393 29.7237 -2.55813 27.8238 -25.3119 -11.834 -0.102977 -12.017 -17.3492 TIMING: 4171800 CPU: 12123.4, 0.00286948/step Wall: 12123.4, 0.00286947/step, 0.660139 hours remaining, 206.960938 MB of memory in use. ENERGY: 4171800 706.3613 2138.5196 1941.4654 107.8287 -206804.9021 18193.9763 0.0000 0.0000 34356.0908 -149360.6600 300.0403 -183716.7508 -149271.4642 298.7299 100.6465 136.5312 558842.8766 3.2046 3.3927 PRESSURE: 4172000 -162.247 -67.8334 -119.553 -67.8336 1.00628 -31.8659 -119.552 -31.8668 -39.4908 GPRESSURE: 4172000 -169.308 -145.034 -93.936 31.6233 57.8805 -31.7286 -158.18 -9.28373 5.05555 PRESSAVG: 4172000 -82.0569 -9.15363 -46.0048 -9.15361 53.7588 -14.7804 -46.0049 -14.7804 30.5588 GPRESSAVG: 4172000 -81.5443 -11.9433 -42.2146 -5.9499 54.2962 -12.1155 -48.2584 -15.1966 30.1591 TIMING: 4172000 CPU: 12124, 0.0028897/step Wall: 12124, 0.0028897/step, 0.664632 hours remaining, 206.960938 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: 4172000 746.1413 2137.6863 1943.0284 99.2547 -206231.7009 17693.1012 0.0000 0.0000 34067.7209 -149544.7681 297.5219 -183612.4890 -149445.6994 298.6360 -66.9104 -35.4572 557759.2286 0.7536 0.9703 PRESSURE: 4172200 -26.4514 20.1849 164.278 20.1843 -21.1335 56.9667 164.277 56.9669 169.911 GPRESSURE: 4172200 -44.9926 -19.6219 115.476 57.3603 34.1226 5.98406 155.314 72.9929 227.254 PRESSAVG: 4172200 91.7919 18.1416 -32.6393 18.1416 -6.64083 -52.034 -32.6395 -52.034 -62.2327 GPRESSAVG: 4172200 91.8701 21.0705 -34.3318 17.4498 -6.94804 -52.4077 -32.2668 -53.0693 -62.7454 TIMING: 4172200 CPU: 12124.6, 0.0029238/step Wall: 12124.6, 0.0029238/step, 0.672311 hours remaining, 206.960938 MB of memory in use. ENERGY: 4172200 759.4919 2118.9724 1926.6112 118.6489 -206689.1765 18028.5087 0.0000 0.0000 34017.2758 -149719.6676 297.0813 -183736.9434 -149617.2510 298.1300 40.7754 72.1280 558133.8670 7.6394 7.3922 LDB: ============= START OF LOAD BALANCING ============== 12128 LDB: ============== END OF LOAD BALANCING =============== 12128 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12128 LDB: ============= START OF LOAD BALANCING ============== 12128.3 LDB: Largest compute 4848 load 0.027429 is 23.3% of average load 0.117818 LDB: Average compute 0.001733 is 1.5% of average load 0.117818 LDB: TIME 12128.3 LOAD: AVG 0.117818 MAX 0.179649 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12128.3 LOAD: AVG 0.117818 MAX 0.179649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 12128.3 LOAD: AVG 0.117818 MAX 0.179649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: ============== END OF LOAD BALANCING =============== 12128.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12128.3 PRESSURE: 4172400 37.1799 43.7186 -34.6271 43.7164 64.0497 -80.7364 -34.6285 -80.737 53.0879 GPRESSURE: 4172400 61.6713 -10.8433 -33.5681 137.669 73.3507 -148.268 -34.6388 -34.4592 120.544 PRESSAVG: 4172400 -23.7523 -4.82795 -32.74 -4.82796 23.5231 -32.3001 -32.74 -32.3 42.634 GPRESSAVG: 4172400 -24.9187 -5.89119 -33.0013 -5.85795 22.8271 -33.8038 -30.4524 -30.3801 43.6982 TIMING: 4172400 CPU: 12125.2, 0.00293925/step Wall: 12125.2, 0.00293925/step, 0.6757 hours remaining, 206.585938 MB of memory in use. ENERGY: 4172400 702.5584 2170.0650 1947.2921 101.9074 -206592.0954 17962.8260 0.0000 0.0000 34087.3285 -149620.1179 297.6931 -183707.4464 -149520.0219 297.7547 51.4392 85.1885 557526.1085 14.1349 13.8689 PRESSURE: 4172600 -30.142 -25.8908 -144.995 -25.8916 145.504 -149.993 -144.995 -149.993 248.992 GPRESSURE: 4172600 18.3235 -120.256 -94.7662 22.6226 132.109 -151.05 -182.278 -81.4138 313.307 PRESSAVG: 4172600 -25.533 2.01425 -40.2899 2.01422 -34.7283 -32.0854 -40.2899 -32.0855 2.61901 GPRESSAVG: 4172600 -25.1118 1.13283 -39.6711 2.04839 -34.5778 -31.5385 -39.5093 -31.0673 2.21193 TIMING: 4172600 CPU: 12125.7, 0.00288667/step Wall: 12125.7, 0.00288667/step, 0.663454 hours remaining, 206.789062 MB of memory in use. ENERGY: 4172600 735.1373 2115.7059 1969.3335 116.4528 -206790.2884 18041.9584 0.0000 0.0000 34175.0817 -149636.6187 298.4595 -183811.7005 -149539.6167 298.3338 121.4514 154.5800 556799.7941 -19.2141 -19.1592 PRESSURE: 4172800 361.849 -232.96 -50.0873 -232.962 -11.5222 -104.994 -50.0872 -104.994 12.1721 GPRESSURE: 4172800 396.465 -196.552 -32.4504 -216.099 30.7634 -141.009 1.08096 -100.22 31.1669 PRESSAVG: 4172800 -30.6976 -30.4569 -29.8473 -30.4569 -13.3828 -54.8746 -29.8472 -54.8745 24.3382 GPRESSAVG: 4172800 -31.0653 -28.8364 -32.2329 -30.4475 -12.9734 -54.3249 -30.866 -56.8874 23.6515 TIMING: 4172800 CPU: 12126.3, 0.00290614/step Wall: 12126.3, 0.00290614/step, 0.667767 hours remaining, 206.789062 MB of memory in use. ENERGY: 4172800 720.6156 2137.2245 1947.9949 119.0571 -206429.6492 17901.5527 0.0000 0.0000 34276.5196 -149326.6848 299.3454 -183603.2044 -149225.2182 299.0734 120.8330 152.7984 555844.5555 -6.5807 -6.7958 PRESSURE: 4173000 239.197 116.635 45.1189 116.636 -165.346 -45.7322 45.1172 -45.7304 -109.723 GPRESSURE: 4173000 247.22 51.06 55.5972 70.5646 -64.6874 -54.5331 9.29579 -37.7188 -122.014 PRESSAVG: 4173000 35.102 -47.809 -15.688 -47.8091 58.8282 -2.57214 -15.688 -2.5721 -70.2135 GPRESSAVG: 4173000 35.208 -47.7799 -14.9052 -48.9022 60.0931 -2.21759 -15.0677 -4.16364 -70.9574 TIMING: 4173000 CPU: 12126.9, 0.00290426/step Wall: 12126.9, 0.00290426/step, 0.667173 hours remaining, 206.789062 MB of memory in use. ENERGY: 4173000 767.9962 2075.1796 1969.0088 117.0220 -206102.1987 17686.2755 0.0000 0.0000 34162.0099 -149324.7069 298.3453 -183486.7167 -149227.2707 299.0297 -11.9569 20.1729 556538.8627 7.9056 8.1146 PRESSURE: 4173200 -210.554 16.0435 -223.246 16.0444 -260.952 12.4968 -223.246 12.4952 -189.341 GPRESSURE: 4173200 -167.449 -4.7234 -150.168 60.1102 -229.52 29.0776 -268.114 86.8052 -172.937 PRESSAVG: 4173200 4.59606 -5.38548 -54.5857 -5.3855 19.483 -39.5139 -54.5857 -39.514 -23.3727 GPRESSAVG: 4173200 5.96475 -5.06304 -54.586 -3.68303 18.5717 -37.4364 -54.5189 -38.5731 -23.3911 TIMING: 4173200 CPU: 12127.5, 0.00288882/step Wall: 12127.5, 0.00288882/step, 0.663466 hours remaining, 206.789062 MB of memory in use. ENERGY: 4173200 720.0866 2100.7079 1949.8849 104.1046 -206216.4786 17545.3769 0.0000 0.0000 34394.8977 -149401.4200 300.3792 -183796.3177 -149306.6157 298.7018 -220.2823 -189.9687 558005.0667 0.2354 0.3818 PRESSURE: 4173400 -256.507 -91.1581 109.105 -91.1583 108.141 165.249 109.105 165.251 22.9977 GPRESSURE: 4173400 -235.482 -118.678 42.3844 -128.837 108.283 130.393 174.374 172.202 80.9935 PRESSAVG: 4173400 -47.7834 15.6829 -0.139595 15.6829 43.936 -37.2718 -0.139535 -37.2719 31.0132 GPRESSAVG: 4173400 -49.4536 15.7243 1.03771 15.7181 43.9755 -38.2202 0.0192152 -35.2345 32.1992 TIMING: 4173400 CPU: 12128.1, 0.00290135/step Wall: 12128.1, 0.00290135/step, 0.666182 hours remaining, 206.789062 MB of memory in use. ENERGY: 4173400 725.2674 2136.0556 1980.2194 120.8969 -206095.9268 17515.7811 0.0000 0.0000 34348.1404 -149269.5660 299.9709 -183617.7064 -149172.8276 299.0966 -41.7895 -15.4016 556371.2244 9.0553 8.9070 PRESSURE: 4173600 -91.3006 204.996 -42.0148 204.996 -73.1086 29.2851 -42.0134 29.2848 -25.6117 GPRESSURE: 4173600 -75.0818 163.588 -133.159 228.228 -49.2157 3.13536 42.4687 104.862 28.2882 PRESSAVG: 4173600 -24.2931 35.3924 -11.2675 35.3924 -24.663 16.2285 -11.2674 16.2286 37.4904 GPRESSAVG: 4173600 -23.451 33.408 -11.7917 34.4124 -24.2737 16.2593 -10.8552 13.8673 36.4064 TIMING: 4173600 CPU: 12128.6, 0.00289902/step Wall: 12128.6, 0.00289902/step, 0.665486 hours remaining, 206.789062 MB of memory in use. ENERGY: 4173600 749.5174 2069.1401 1978.2934 122.5698 -206052.1707 17632.8003 0.0000 0.0000 34228.6645 -149271.1853 298.9274 -183499.8498 -149176.8908 299.2532 -63.3403 -32.0031 557367.3680 -3.8219 -3.7727 PRESSURE: 4173800 119 37.3263 -143.361 37.3246 28.8693 72.8836 -143.362 72.8831 115.865 GPRESSURE: 4173800 147.061 106.228 -178.475 -110.417 63.2911 12.0684 -103.395 102.105 154.984 PRESSAVG: 4173800 -11.6259 30.0547 -28.5637 30.0548 5.24008 -16.6721 -28.5637 -16.6721 34.4892 GPRESSAVG: 4173800 -12.7189 33.3372 -29.3002 29.9407 5.25745 -17.7074 -28.0298 -16.0615 34.62 TIMING: 4173800 CPU: 12129.2, 0.00291574/step Wall: 12129.2, 0.00291574/step, 0.669161 hours remaining, 206.789062 MB of memory in use. ENERGY: 4173800 732.8988 2114.6967 1970.9283 100.6520 -206677.9675 18079.6717 0.0000 0.0000 34345.9196 -149333.2004 299.9515 -183679.1200 -149231.4174 299.1683 87.9115 121.7787 557178.7458 9.3678 9.0529 PRESSURE: 4174000 49.432 -69.1275 3.83461 -69.1263 -66.8901 -29.7925 3.83437 -29.7937 37.7809 GPRESSURE: 4174000 99.6402 -54.3038 -5.32116 -110.07 -13.8902 7.53921 43.8453 -56.752 31.5033 PRESSAVG: 4174000 54.7101 29.3481 26.3292 29.3481 32.5981 -53.8222 26.3292 -53.8222 -73.7341 GPRESSAVG: 4174000 54.5579 27.7141 30.2446 30.1302 32.5321 -50.1666 21.8692 -55.1273 -73.5633 TIMING: 4174000 CPU: 12129.8, 0.00291975/step Wall: 12129.8, 0.00291975/step, 0.669919 hours remaining, 206.789062 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: 4174000 807.8198 2076.0396 1967.8840 123.0211 -206251.4952 17852.8711 0.0000 0.0000 34154.3226 -149269.5370 298.2782 -183423.8596 -149180.9401 299.2756 6.7743 39.0844 557858.6854 4.5247 4.5089 PRESSURE: 4174200 -9.14898 -96.7973 -47.3723 -96.7974 157.908 -30.0406 -47.372 -30.0416 242.036 GPRESSURE: 4174200 13.5525 -113.885 -44.9026 -43.8676 228.715 -69.4645 -74.7047 -84.4319 228.572 PRESSAVG: 4174200 -0.717383 -16.4274 21.7332 -16.4275 34.995 -58.8805 21.7332 -58.8805 -42.0076 GPRESSAVG: 4174200 -0.694745 -16.6971 20.1212 -14.9129 35.7572 -62.2715 24.3854 -57.0115 -42.3904 TIMING: 4174200 CPU: 12130.4, 0.00292275/step Wall: 12130.4, 0.00292275/step, 0.670446 hours remaining, 206.789062 MB of memory in use. ENERGY: 4174200 762.7108 2057.8442 1977.4382 110.1634 -206380.9129 17837.2802 0.0000 0.0000 34373.2297 -149262.2464 300.1900 -183635.4761 -149162.6984 299.1312 130.2649 156.9465 555505.7536 -2.5767 -2.4427 PRESSURE: 4174400 64.6173 267.33 109.116 267.332 139.982 97.721 109.116 97.7187 -108.522 GPRESSURE: 4174400 88.5021 229.726 40.4304 271.038 135.28 158.1 39.7919 139.147 -35.1304 PRESSAVG: 4174400 5.76685 24.0735 -5.22536 24.0737 24.8862 37.9171 -5.22533 37.9173 -52.857 GPRESSAVG: 4174400 6.56548 22.875 -6.99293 23.0966 23.7847 39.5721 -5.53362 35.7039 -52.5134 TIMING: 4174400 CPU: 12131, 0.00288859/step Wall: 12131, 0.00288859/step, 0.662451 hours remaining, 206.789062 MB of memory in use. ENERGY: 4174400 773.8949 2117.6218 1963.1546 113.9184 -206379.1068 18001.8236 0.0000 0.0000 34391.5832 -149017.1102 300.3502 -183408.6934 -148912.5565 299.1179 32.0257 62.8840 557649.5470 -7.4013 -7.3877 PRESSURE: 4174600 11.3812 109.834 57.5883 109.836 6.92927 -164.697 57.5891 -164.697 265.364 GPRESSURE: 4174600 65.2198 49.2102 26.2165 126.388 35.7314 -32.2135 7.00927 -119.386 286.314 PRESSAVG: 4174600 20.3669 45.6953 4.06912 45.6954 6.62162 -8.81608 4.0692 -8.8159 9.7813 GPRESSAVG: 4174600 20.0775 45.407 3.46935 48.0085 7.81655 -10.6601 4.61971 -4.88746 8.88363 TIMING: 4174600 CPU: 12131.6, 0.00289767/step Wall: 12131.6, 0.00289767/step, 0.664372 hours remaining, 206.789062 MB of memory in use. ENERGY: 4174600 743.7546 2095.3854 2003.2661 103.6309 -206147.0091 17929.3848 0.0000 0.0000 34177.7274 -149093.8599 298.4826 -183271.5873 -149002.0620 300.1321 94.5582 129.0883 558271.3134 12.2566 12.2592 PRESSURE: 4174800 101.045 -97.0534 -14.8723 -97.0527 -5.29846 40.916 -14.8722 40.9139 -133.268 GPRESSURE: 4174800 126.496 -82.7403 -43.2781 -124.807 -31.9644 81.6384 -28.7383 40.8188 -41.2392 PRESSAVG: 4174800 -31.8697 14.4508 29.4514 14.4508 -9.04745 4.14035 29.4513 4.14037 -1.93777 GPRESSAVG: 4174800 -32.1033 15.931 30.7306 11.4562 -9.8528 5.51711 28.2711 1.0496 -0.687415 TIMING: 4174800 CPU: 12132.1, 0.00288178/step Wall: 12132.1, 0.00288178/step, 0.660567 hours remaining, 206.789062 MB of memory in use. ENERGY: 4174800 764.0078 2118.7118 1946.1501 108.2587 -206323.4659 17835.8954 0.0000 0.0000 34505.7385 -149044.7037 301.3472 -183550.4422 -148940.6378 299.9049 -12.5071 17.7642 558262.7489 -14.2850 -14.2145 PRESSURE: 4175000 38.1361 110.908 53.5561 110.909 -203.701 -199.196 53.5565 -199.197 -45.6816 GPRESSURE: 4175000 59.9312 63.608 73.9632 156.527 -146.703 -260.458 -74.6616 -143.543 -39.2776 PRESSAVG: 4175000 16.6055 25.782 39.2708 25.7821 -80.5421 -22.7888 39.2708 -22.7888 22.76 GPRESSAVG: 4175000 17.2755 24.6622 40.2945 26.495 -79.9923 -22.4501 39.0523 -21.752 21.4508 TIMING: 4175000 CPU: 12132.7, 0.00287877/step Wall: 12132.7, 0.00287877/step, 0.659717 hours remaining, 206.789062 MB of memory in use. ENERGY: 4175000 726.2217 2133.0556 1972.2692 99.8855 -205908.3981 17608.4398 0.0000 0.0000 34446.3911 -148922.1352 300.8289 -183368.5263 -148816.1858 300.5711 -70.4154 -42.0165 558143.3616 -13.7255 -13.7554 PRESSURE: 4175200 49.8206 -46.8247 45.2397 -46.8251 203.588 -121.615 45.2406 -121.616 169.879 GPRESSURE: 4175200 118.421 -74.1889 37.1052 52.3812 214.635 -161.213 108.057 -86.098 173.807 PRESSAVG: 4175200 23.5362 -40.4874 0.98548 -40.4874 -22.3693 -12.5624 0.985489 -12.5624 48.441 GPRESSAVG: 4175200 23.4199 -40.4979 0.026842 -41.638 -22.1597 -16.5047 1.94033 -11.4619 49.0044 TIMING: 4175200 CPU: 12133.3, 0.00289064/step Wall: 12133.3, 0.00289063/step, 0.662277 hours remaining, 206.789062 MB of memory in use. ENERGY: 4175200 745.2593 2146.1667 1977.6643 125.3758 -205943.2843 17704.7967 0.0000 0.0000 34383.4844 -148860.5371 300.2795 -183244.0215 -148763.7335 300.2315 141.0957 168.9544 555543.9299 16.5360 16.7549 PRESSURE: 4175400 -355.182 -111.928 2.95477 -111.93 -127.171 21.841 2.95549 21.8425 -288.487 GPRESSURE: 4175400 -284.371 -79.4493 20.1225 -181.876 -114.519 -82.6133 17.6072 10.8607 -278.442 PRESSAVG: 4175400 0.665049 13.6279 1.84301 13.6279 83.8598 17.8714 1.84299 17.8712 -58.4476 GPRESSAVG: 4175400 0.815908 15.4556 0.584047 13.2774 84.0202 19.3172 3.15377 16.51 -58.8559 TIMING: 4175400 CPU: 12133.9, 0.00289891/step Wall: 12133.9, 0.00289891/step, 0.664012 hours remaining, 206.789062 MB of memory in use. ENERGY: 4175400 818.3483 2081.0705 1974.3167 102.2208 -205845.2476 17599.8018 0.0000 0.0000 34376.9203 -148892.5692 300.2222 -183269.4896 -148793.0550 300.5875 -256.9468 -225.7769 557680.9054 8.6924 8.6601 PRESSURE: 4175600 -142.888 -79.2096 48.0684 -79.2103 -43.7905 35.1737 48.0694 35.174 68.2966 GPRESSURE: 4175600 -156.746 -133.746 -3.74764 -58.6493 8.2043 0.666588 127.153 16.3677 129.21 PRESSAVG: 4175600 16.42 -26.758 -37.4153 -26.7579 14.6831 9.87671 -37.4153 9.87674 -25.6803 GPRESSAVG: 4175600 15.5724 -27.7112 -36.6078 -25.9277 14.0062 11.0154 -37.3334 7.92973 -24.4889 TIMING: 4175600 CPU: 12134.4, 0.00288628/step Wall: 12134.4, 0.00288628/step, 0.660958 hours remaining, 206.789062 MB of memory in use. ENERGY: 4175600 754.1763 2086.6285 1966.6339 119.7149 -206117.6478 17781.5771 0.0000 0.0000 34399.3027 -149009.6143 300.4177 -183408.9170 -148906.5958 300.2396 -39.4607 -6.4436 558106.3783 1.8076 1.6965 PRESSURE: 4175800 87.8639 135.025 78.2444 135.027 -11.297 -43.8682 78.2445 -43.8683 105.853 GPRESSURE: 4175800 109.665 70.9567 -30.712 104.356 -6.4564 -15.8831 119.305 -65.4164 172.029 PRESSAVG: 4175800 13.6262 53.1779 -4.6026 53.178 -2.96666 -14.8159 -4.60269 -14.8158 8.51911 GPRESSAVG: 4175800 13.9013 48.9403 -5.82359 54.7332 -3.61646 -14.7914 -5.84553 -15.8436 8.68173 TIMING: 4175800 CPU: 12135, 0.00287844/step Wall: 12135, 0.00287844/step, 0.659004 hours remaining, 206.789062 MB of memory in use. ENERGY: 4175800 753.3218 2133.6723 1943.1798 113.5403 -206009.0010 17811.5128 0.0000 0.0000 34256.3584 -148997.4156 299.1693 -183253.7739 -148900.9040 299.4509 60.8065 91.7460 557319.5641 6.3929 6.3222 PRESSURE: 4176000 -268.614 20.922 9.47588 20.921 -196.915 -169.272 9.47557 -169.27 70.325 GPRESSURE: 4176000 -233.673 -57.3872 42.7236 55.5938 -141.873 -128.623 -51.5735 -84.008 67.1525 PRESSAVG: 4176000 -32.3645 65.2954 27.136 65.2955 26.8747 -45.0396 27.136 -45.0396 5.37029 GPRESSAVG: 4176000 -32.7414 69.0624 29.988 64.0094 28.0342 -46.9284 25.4482 -43.7864 4.31375 TIMING: 4176000 CPU: 12135.6, 0.00290051/step Wall: 12135.6, 0.00290051/step, 0.663895 hours remaining, 206.789062 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: 4176000 788.0426 2099.5815 1956.3767 119.7923 -205927.1582 17636.8911 0.0000 0.0000 34461.2190 -148865.2550 300.9584 -183326.4740 -148765.2430 299.5912 -131.7346 -102.7979 558579.7287 -0.0398 -0.1311 PRESSURE: 4176200 -195.152 67.133 89.8746 67.1327 21.2917 -23.0273 89.8764 -23.0276 80.8854 GPRESSURE: 4176200 -177.239 56.0578 99.2887 125.962 58.6114 -36.5983 136.427 -70.7135 117.043 PRESSAVG: 4176200 13.987 -10.9682 -18.4225 -10.9682 22.3739 -86.4715 -18.4226 -86.4715 -24.2244 GPRESSAVG: 4176200 13.1827 -12.512 -18.1161 -11.1217 21.8187 -86.136 -16.2233 -87.0323 -23.1034 TIMING: 4176200 CPU: 12136.2, 0.0029025/step Wall: 12136.2, 0.0029025/step, 0.664188 hours remaining, 206.789062 MB of memory in use. ENERGY: 4176200 756.3285 2062.2162 1967.1718 114.7718 -206125.9484 17850.3855 0.0000 0.0000 34495.9696 -148879.1050 301.2619 -183375.0747 -148781.1824 300.4436 -30.9917 -0.5285 559359.7408 4.0455 3.9660 LDB: ============= START OF LOAD BALANCING ============== 12139.6 LDB: ============== END OF LOAD BALANCING =============== 12139.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12139.6 LDB: ============= START OF LOAD BALANCING ============== 12139.9 LDB: Largest compute 4848 load 0.028406 is 24.1% of average load 0.117772 LDB: Average compute 0.001732 is 1.5% of average load 0.117772 LDB: TIME 12139.9 LOAD: AVG 0.117772 MAX 0.181437 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12139.9 LOAD: AVG 0.117772 MAX 0.181437 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 12139.9 LOAD: AVG 0.117772 MAX 0.181437 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12139.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12139.9 PRESSURE: 4176400 66.0968 57.5151 -168.045 57.5142 -131.884 -26.6995 -168.046 -26.701 -236.259 GPRESSURE: 4176400 109.301 74.3983 -146.815 -29.2784 -107.959 -47.948 -155.159 22.8778 -209.19 PRESSAVG: 4176400 1.85257 5.08576 33.9092 5.08571 65.3099 -10.6442 33.9092 -10.644 -57.8473 GPRESSAVG: 4176400 2.34669 5.53617 33.351 5.36006 66.447 -10.3974 32.3384 -9.5617 -59.1783 TIMING: 4176400 CPU: 12136.8, 0.00295915/step Wall: 12136.8, 0.00295915/step, 0.676989 hours remaining, 207.613281 MB of memory in use. ENERGY: 4176400 729.9849 2100.4249 1968.1828 117.6106 -205897.9426 17787.7699 0.0000 0.0000 34264.4242 -148929.5453 299.2397 -183193.9695 -148830.1235 300.6326 -100.6820 -69.2828 560327.3204 3.1051 3.2051 PRESSURE: 4176600 -236.074 -76.2287 24.2062 -76.2291 -14.9863 6.96744 24.2056 6.96691 31.5561 GPRESSURE: 4176600 -144.787 -97.6609 -6.90766 -61.4348 10.6657 15.4684 18.3282 -22.5644 0.613187 PRESSAVG: 4176600 -26.7303 -17.964 -0.418682 -17.9641 0.802401 -17.9746 -0.418731 -17.9747 -2.61926 GPRESSAVG: 4176600 -24.9058 -17.5324 1.06624 -18.6062 -0.957055 -17.3885 -1.30128 -16.5552 -1.88281 TIMING: 4176600 CPU: 12137.3, 0.00288748/step Wall: 12137.3, 0.00288748/step, 0.66043 hours remaining, 207.722656 MB of memory in use. ENERGY: 4176600 765.1007 2093.2212 1961.7857 112.3328 -206303.5121 17831.6514 0.0000 0.0000 34489.1729 -149050.2474 301.2025 -183539.4203 -148953.3600 300.2415 -73.1682 -44.5026 559006.1297 -9.5157 -9.2485 PRESSURE: 4176800 -155.556 -42.5827 -129.058 -42.583 -142.533 -81.992 -129.058 -81.9912 -89.6582 GPRESSURE: 4176800 -132.375 -99.0847 -173.268 -25.5341 -132.947 -90.4495 -96.8704 -85.6236 -31.3108 PRESSAVG: 4176800 -61.9369 -0.980947 22.9215 -0.980937 63.0702 -38.8078 22.9216 -38.8077 -4.45873 GPRESSAVG: 4176800 -62.4525 -1.83373 19.2321 -1.06897 63.4769 -38.8406 24.2027 -39.2653 -4.55886 TIMING: 4176800 CPU: 12137.9, 0.00289431/step Wall: 12137.9, 0.00289431/step, 0.661833 hours remaining, 207.722656 MB of memory in use. ENERGY: 4176800 758.6542 2061.5885 1960.9261 122.9711 -205914.6663 17759.6425 0.0000 0.0000 34256.2264 -148994.6574 299.1681 -183250.8839 -148892.6126 300.1778 -129.2493 -98.8775 559128.7736 -1.1085 -1.1781 PRESSURE: 4177000 10.1477 -6.76166 248.86 -6.76142 -323.937 34.1848 248.861 34.1844 -163.174 GPRESSURE: 4177000 6.12242 -86.3433 189.394 -14.4498 -212.643 -39.5475 275.582 91.5869 -171.12 PRESSAVG: 4177000 -5.73001 -11.6684 -30.3597 -11.6684 25.644 3.01743 -30.3597 3.01732 -1.9689 GPRESSAVG: 4177000 -5.28432 -10.8142 -30.5038 -12.2913 25.2552 1.78999 -28.4232 2.6517 -2.09062 TIMING: 4177000 CPU: 12138.5, 0.00290047/step Wall: 12138.5, 0.00290047/step, 0.66308 hours remaining, 207.722656 MB of memory in use. ENERGY: 4177000 743.4379 2136.9573 1947.1777 118.3254 -205590.1084 17547.3731 0.0000 0.0000 34254.8496 -148841.9874 299.1561 -183096.8370 -148745.9358 300.6878 -158.9880 -125.8803 559422.0248 5.9817 5.9601 PRESSURE: 4177200 -162.964 96.779 1.81569 96.7789 228.219 -79.6007 1.81614 -79.5994 98.0401 GPRESSURE: 4177200 -110.862 79.1529 32.1487 116.455 255.397 -186.602 -22.5183 -5.93142 126.326 PRESSAVG: 4177200 1.09414 -12.8583 -30.491 -12.8582 -15.3154 -29.8122 -30.4908 -29.8122 16.9393 GPRESSAVG: 4177200 -0.0470278 -12.7748 -29.9796 -12.8469 -14.8532 -26.9151 -32.4837 -30.391 18.4724 TIMING: 4177200 CPU: 12139.1, 0.00289993/step Wall: 12139.1, 0.00289993/step, 0.662795 hours remaining, 207.722656 MB of memory in use. ENERGY: 4177200 726.6278 2126.3993 1960.8223 112.8065 -206011.5222 17750.3494 0.0000 0.0000 34602.1755 -148732.3415 302.1894 -183334.5169 -148637.0824 300.1908 54.4317 90.2868 556434.5399 0.9060 1.1907 PRESSURE: 4177400 -257.572 45.7166 155.407 45.7174 -133.471 -20.1105 155.408 -20.1095 -231.41 GPRESSURE: 4177400 -201.822 -51.3543 136.573 -0.80296 -108.583 46.5867 160.39 -32.3964 -220.039 PRESSAVG: 4177400 -81.318 -4.2852 -6.05458 -4.28513 29.2247 18.6624 -6.05456 18.6624 47.0546 GPRESSAVG: 4177400 -79.1395 -4.08716 -4.90628 -6.08206 29.5006 17.0392 -6.31685 20.881 45.5805 TIMING: 4177400 CPU: 12139.7, 0.00288543/step Wall: 12139.7, 0.00288543/step, 0.65932 hours remaining, 207.722656 MB of memory in use. ENERGY: 4177400 792.1336 2099.2302 1969.1465 109.6536 -205556.8294 17485.2185 0.0000 0.0000 34288.3085 -148813.1386 299.4483 -183101.4470 -148719.2181 300.9232 -207.4842 -176.8147 558233.8244 -1.6796 -1.3528 PRESSURE: 4177600 -104.781 -74.8186 -122.944 -74.8194 39.5961 -129.884 -122.943 -129.884 183.426 GPRESSURE: 4177600 -71.1873 -48.486 -142.366 -96.8095 73.5981 -134.068 -173.92 -140.891 212.295 PRESSAVG: 4177600 7.27093 -46.5156 -27.6681 -46.5156 8.39437 -29.9216 -27.668 -29.9215 -3.87775 GPRESSAVG: 4177600 6.13871 -46.7785 -28.8498 -43.6365 9.53731 -29.4093 -26.5957 -33.0808 -3.64856 TIMING: 4177600 CPU: 12140.2, 0.00289509/step Wall: 12140.2, 0.00289509/step, 0.661368 hours remaining, 207.812500 MB of memory in use. ENERGY: 4177600 739.1824 2099.2012 1945.8749 100.1929 -205463.5039 17628.8249 0.0000 0.0000 34275.5374 -148674.6903 299.3368 -182950.2277 -148577.2540 300.4254 39.4136 71.5686 557318.5747 3.9292 4.0092 PRESSURE: 4177800 101.111 17.8351 56.6735 17.8339 -54.3702 158.127 56.6734 158.128 -123.776 GPRESSURE: 4177800 67.6173 -5.04877 100.897 122.907 31.139 25.4867 46.5172 213.942 -83.176 PRESSAVG: 4177800 -20.0789 -25.4917 -0.496299 -25.4917 -34.5575 10.3941 -0.496167 10.3942 51.8632 GPRESSAVG: 4177800 -20.4376 -24.711 -1.51236 -26.7903 -34.2417 10.4124 -1.41015 12.7229 52.6936 TIMING: 4177800 CPU: 12140.8, 0.00289419/step Wall: 12140.8, 0.00289419/step, 0.661002 hours remaining, 207.812500 MB of memory in use. ENERGY: 4177800 723.9036 2105.6674 1973.5073 101.0721 -205637.7112 17677.3686 0.0000 0.0000 34397.0236 -148659.1686 300.3978 -183056.1922 -148562.3645 300.1949 -25.6781 5.1934 557911.3996 -0.9244 -0.6619 PRESSURE: 4178000 141.062 106.366 -41.4262 106.366 102.005 -17.7642 -41.4254 -17.7654 -94.4384 GPRESSURE: 4178000 240.395 169.698 -98.6291 71.2618 93.5592 -40.5511 -73.3229 -11.0762 -92.2624 PRESSAVG: 4178000 28.4191 8.17716 14.1858 8.17716 -20.0633 -51.1543 14.1857 -51.1543 -73.231 GPRESSAVG: 4178000 30.5065 9.18841 15.4333 7.97488 -22.0101 -52.1386 14.042 -51.4231 -73.1353 TIMING: 4178000 CPU: 12141.4, 0.00289676/step Wall: 12141.4, 0.00289676/step, 0.661426 hours remaining, 207.812500 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: 4178000 747.7251 2130.2401 1923.5830 123.7685 -205982.3527 18026.4045 0.0000 0.0000 34076.6007 -148954.0307 297.5994 -183030.6315 -148858.0596 299.4732 49.5428 80.5638 558874.0115 -21.6251 -21.5463 PRESSURE: 4178200 171.263 -71.0042 -117.649 -71.0032 -211.978 132.55 -117.65 132.548 360.841 GPRESSURE: 4178200 189.031 -109.002 -182.275 -57.558 -126.471 111.673 -123.907 118.854 349.216 PRESSAVG: 4178200 66.4189 21.5927 -7.54834 21.5927 -46.3308 8.92354 -7.54833 8.92355 -15.3848 GPRESSAVG: 4178200 65.7697 21.5325 -7.27647 21.259 -44.1708 9.73138 -7.36442 10.0717 -16.1837 TIMING: 4178200 CPU: 12142, 0.00290983/step Wall: 12142, 0.00290983/step, 0.664249 hours remaining, 208.054688 MB of memory in use. ENERGY: 4178200 735.3338 2068.0145 1979.7902 108.8028 -206088.2415 17977.0375 0.0000 0.0000 34250.6382 -148968.6245 299.1193 -183219.2627 -148874.0301 299.5126 106.7087 137.2585 557469.8171 1.5678 1.8051 PRESSURE: 4178400 25.4155 -21.5077 -3.17968 -21.5082 75.3076 -78.5601 -3.17916 -78.5581 -30.4668 GPRESSURE: 4178400 97.7334 5.58243 -33.7891 -18.8783 87.1589 -97.6334 -2.45523 -73.5839 -22.1094 PRESSAVG: 4178400 3.57619 21.0964 -40.701 21.0964 -9.82167 -38.0736 -40.7011 -38.0735 -8.07607 GPRESSAVG: 4178400 3.37926 21.4239 -41.5921 21.1067 -10.4646 -37.6201 -38.5464 -40.3002 -7.4113 TIMING: 4178400 CPU: 12142.6, 0.00288424/step Wall: 12142.6, 0.00288424/step, 0.658247 hours remaining, 208.054688 MB of memory in use. ENERGY: 4178400 738.3683 2115.2481 1947.8184 114.7952 -206350.5083 17951.5012 0.0000 0.0000 34413.6876 -149069.0894 300.5433 -183482.7770 -148967.3432 299.0675 23.4188 54.2610 557852.0657 -4.7739 -4.8322 PRESSURE: 4178600 -160.505 -86.7483 172.617 -86.7476 -5.3827 -79.6363 172.617 -79.6357 -245.586 GPRESSURE: 4178600 -172.477 -133.505 48.5217 -79.4908 16.5311 -76.7606 174.265 -76.3148 -161.481 PRESSAVG: 4178600 -23.0681 57.8085 8.48192 57.8085 47.825 -39.9636 8.48187 -39.9637 -32.1255 GPRESSAVG: 4178600 -23.1021 56.6837 8.56257 57.4226 48.0884 -40.2099 6.37796 -40.0855 -31.9841 TIMING: 4178600 CPU: 12143.1, 0.00288497/step Wall: 12143.1, 0.00288497/step, 0.658254 hours remaining, 208.054688 MB of memory in use. ENERGY: 4178600 729.8987 2044.3873 1943.3940 114.6763 -205756.5945 17511.9351 0.0000 0.0000 34456.6827 -148955.6205 300.9188 -183412.3032 -148859.2392 300.0058 -137.1580 -105.8087 557803.2806 -2.4562 -2.3326 PRESSURE: 4178800 -1.55297 154.388 11.9649 154.388 33.4767 31.2286 11.9638 31.2289 292.113 GPRESSURE: 4178800 45.1931 157.032 16.1438 107.633 101.785 119.153 -67.9599 -19.2468 281.968 PRESSAVG: 4178800 -17.8164 -13.1601 52.5775 -13.16 -31.8599 19.441 52.5774 19.441 -2.68572 GPRESSAVG: 4178800 -17.8631 -12.6598 52.5504 -13.0778 -32.9675 20.0243 52.5617 18.778 -1.88041 TIMING: 4178800 CPU: 12143.7, 0.00288014/step Wall: 12143.7, 0.00288014/step, 0.656991 hours remaining, 208.054688 MB of memory in use. ENERGY: 4178800 698.6507 2113.7264 1960.7592 109.2237 -206303.0199 17945.7234 0.0000 0.0000 34333.4879 -149141.4487 299.8429 -183474.9366 -149041.2952 299.8667 108.0122 142.9820 556577.4333 -17.4540 -17.5703 PRESSURE: 4179000 249.796 148.812 23.1587 148.812 183.8 -4.02371 23.1597 -4.02377 314.855 GPRESSURE: 4179000 278.44 249.427 -11.571 57.6504 166.383 -61.7249 47.5119 4.85526 385.774 PRESSAVG: 4179000 13.1936 0.668864 65.8259 0.668871 -55.2787 -45.0907 65.826 -45.0906 35.9411 GPRESSAVG: 4179000 13.3219 -0.430961 64.9996 1.91027 -54.6815 -46.1916 66.441 -42.7519 34.9404 TIMING: 4179000 CPU: 12144.3, 0.0028983/step Wall: 12144.3, 0.0028983/step, 0.660974 hours remaining, 208.054688 MB of memory in use. ENERGY: 4179000 719.4711 2113.3496 1964.0710 108.3717 -206017.7229 17979.1736 0.0000 0.0000 34182.5168 -148950.7691 298.5244 -183133.2859 -148850.3518 299.1288 249.4836 276.8655 555494.5326 -2.0480 -2.1398 PRESSURE: 4179200 88.919 161.637 -54.0626 161.636 -6.37262 -95.7438 -54.0625 -95.7459 -377.527 GPRESSURE: 4179200 138.62 136.744 -62.0189 166.867 -10.0164 -109.68 -118.399 -8.95419 -337.955 PRESSAVG: 4179200 48.7445 36.5338 51.5439 36.5338 4.51623 -81.596 51.5439 -81.596 -24.88 GPRESSAVG: 4179200 47.7994 35.7672 49.6399 37.7745 4.67789 -82.2398 51.9212 -81.5191 -24.8274 TIMING: 4179200 CPU: 12144.9, 0.00288414/step Wall: 12144.9, 0.00288414/step, 0.657583 hours remaining, 208.054688 MB of memory in use. ENERGY: 4179200 734.7992 2132.6645 1969.0126 105.0548 -205485.1036 17516.2771 0.0000 0.0000 34074.1728 -148953.1225 297.5782 -183027.2953 -148858.9152 300.4449 -98.3268 -69.7836 557341.4986 9.4603 9.2166 PRESSURE: 4179400 -26.4471 105.899 -98.2337 105.899 -93.5579 -98.0056 -98.2345 -98.0059 -173.777 GPRESSURE: 4179400 -46.1967 184.827 -5.59077 49.3931 -24.3496 -42.6866 -145.908 -77.3822 -139.478 PRESSAVG: 4179400 9.2702 35.8489 1.65978 35.8489 27.0607 -15.3552 1.6598 -15.3552 -52.4761 GPRESSAVG: 4179400 9.6129 38.0894 4.45456 32.7633 27.7518 -13.635 0.252816 -16.6558 -53.15 TIMING: 4179400 CPU: 12145.4, 0.00288121/step Wall: 12145.4, 0.00288121/step, 0.656757 hours remaining, 208.054688 MB of memory in use. ENERGY: 4179400 735.6610 2120.3357 1926.0444 103.0350 -205740.3383 17611.4100 0.0000 0.0000 34280.3800 -148963.4724 299.3791 -183243.8523 -148866.2234 299.5713 -97.9272 -70.0082 559173.8511 -5.3817 -5.2618 PRESSURE: 4179600 56.0202 -148.509 16.4335 -148.51 -211.349 76.5537 16.4334 76.5534 9.77084 GPRESSURE: 4179600 95.767 -205.68 -18.376 -123.233 -176.137 171.656 129.859 29.1867 28.2276 PRESSAVG: 4179600 5.03692 11.4785 2.18801 11.4787 24.0763 17.9174 2.18802 17.9173 -27.1212 GPRESSAVG: 4179600 6.08381 10.4099 2.46862 13.4337 22.5481 19.0845 1.78471 18.3683 -26.4287 TIMING: 4179600 CPU: 12146, 0.00289138/step Wall: 12146, 0.00289138/step, 0.658913 hours remaining, 208.054688 MB of memory in use. ENERGY: 4179600 780.3546 2050.4383 1947.4918 107.8820 -206132.2443 17924.1781 0.0000 0.0000 34538.3137 -148783.5858 301.6317 -183321.8995 -148685.3333 300.4886 -48.5194 -17.3808 557697.6589 0.6640 0.7344 PRESSURE: 4179800 188.937 -79.2195 -29.5201 -79.2195 -127.34 34.6908 -29.5213 34.6916 222.31 GPRESSURE: 4179800 180.649 -72.3301 -53.3177 -61.675 -14.9709 22.769 2.24394 5.35973 215.571 PRESSAVG: 4179800 3.4628 16.3855 17.0448 16.3854 38.9935 -1.9056 17.0449 -1.90555 -32.6515 GPRESSAVG: 4179800 0.936687 17.7898 17.5598 16.572 41.1611 -1.36944 17.1394 -2.09462 -32.0536 TIMING: 4179800 CPU: 12146.6, 0.00289537/step Wall: 12146.6, 0.00289537/step, 0.659661 hours remaining, 208.054688 MB of memory in use. ENERGY: 4179800 744.7885 2086.0997 1930.6026 104.6322 -206324.9418 18068.1877 0.0000 0.0000 34336.9045 -149053.7267 299.8727 -183390.6312 -148962.8619 300.0904 94.6357 127.0831 558692.4764 3.2683 3.3481 PRESSURE: 4180000 -275.367 -89.0638 -111.429 -89.0643 111.726 267.274 -111.428 267.274 -134.925 GPRESSURE: 4180000 -212.349 -0.957798 -61.5624 -113.196 135.26 274.057 -137.195 229.042 -136.295 PRESSAVG: 4180000 43.7161 -54.6063 45.7607 -54.6063 18.4874 -59.6316 45.7607 -59.6315 -25.5708 GPRESSAVG: 4180000 45.5378 -55.8198 45.069 -53.6548 16.6263 -60.6576 47.9472 -59.3307 -25.7318 TIMING: 4180000 CPU: 12147.2, 0.00289811/step Wall: 12147.2, 0.00289811/step, 0.660125 hours remaining, 208.054688 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: 4180000 727.1753 2072.5731 1939.3327 117.1510 -205703.3599 17534.7399 0.0000 0.0000 34344.0720 -148968.3159 299.9353 -183312.3879 -148871.0407 299.7111 -99.5221 -71.1279 558614.6411 12.2109 12.1441 PRESSURE: 4180200 187.941 -164.351 41.321 -164.351 3.18004 -16.1609 41.3212 -16.1607 101.702 GPRESSURE: 4180200 186.88 -160.071 13.7032 -103.27 86.7117 12.349 -12.118 -43.9776 115.644 PRESSAVG: 4180200 -12.7987 -30.7431 19.0877 -30.7431 18.1352 18.8435 19.0878 18.8435 -3.88976 GPRESSAVG: 4180200 -13.9215 -31.0152 19.4982 -30.7854 18.958 19.6744 15.9886 19.21 -3.0354 TIMING: 4180200 CPU: 12147.8, 0.00289379/step Wall: 12147.8, 0.0028938/step, 0.658981 hours remaining, 208.054688 MB of memory in use. ENERGY: 4180200 730.8834 2052.3829 1955.8639 114.3971 -206031.9584 17903.2505 0.0000 0.0000 34363.0088 -148912.1718 300.1007 -183275.1806 -148813.0350 300.5205 97.6075 129.7451 557156.3957 0.4823 0.6670 LDB: ============= START OF LOAD BALANCING ============== 12151.2 LDB: ============== END OF LOAD BALANCING =============== 12151.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12151.2 LDB: ============= START OF LOAD BALANCING ============== 12151.5 LDB: Largest compute 4848 load 0.027908 is 23.7% of average load 0.117803 LDB: Average compute 0.001746 is 1.5% of average load 0.117803 LDB: TIME 12151.5 LOAD: AVG 0.117803 MAX 0.178833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.391 MB LDB: TIME 12151.5 LOAD: AVG 0.117803 MAX 0.178833 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.594 MB LDB: TIME 12151.5 LOAD: AVG 0.117803 MAX 0.178833 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12151.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12151.5 PRESSURE: 4180400 262.831 -87.8088 -63.4575 -87.8092 -170.917 -58.1181 -63.4588 -58.1173 -32.6201 GPRESSURE: 4180400 284.415 -107.871 -13.8823 -101.526 -136.107 -140.024 -89.6572 17.7719 20.7396 PRESSAVG: 4180400 3.43759 15.8651 39.5663 15.8651 24.4691 -7.99597 39.5663 -7.99599 0.876973 GPRESSAVG: 4180400 3.42442 15.2198 38.4612 14.6351 24.1077 -8.75982 40.9947 -8.14071 1.31185 TIMING: 4180400 CPU: 12148.3, 0.00295089/step Wall: 12148.3, 0.00295089/step, 0.671819 hours remaining, 206.296875 MB of memory in use. ENERGY: 4180400 708.1770 2076.2533 1922.2800 111.6118 -205571.1214 17456.8959 0.0000 0.0000 34440.6179 -148855.2856 300.7785 -183295.9036 -148756.3081 300.6311 19.7646 56.3492 556665.1548 9.5945 9.6146 PRESSURE: 4180600 -146.077 60.5967 52.6128 60.5974 -158.208 59.5797 52.6137 59.5803 74.216 GPRESSURE: 4180600 -117.982 -11.3242 18.1097 52.4202 -136.16 8.34402 52.8336 55.3939 120.669 PRESSAVG: 4180600 -1.77688 10.732 -7.67672 10.732 -56.6622 -5.09626 -7.6767 -5.0963 34.9637 GPRESSAVG: 4180600 -1.80931 10.3002 -6.727 11.7807 -56.5951 -4.9369 -7.74797 -7.06406 34.7769 TIMING: 4180600 CPU: 12148.9, 0.0028861/step Wall: 12148.9, 0.0028861/step, 0.656907 hours remaining, 206.296875 MB of memory in use. ENERGY: 4180600 751.9770 2112.1779 1920.8792 102.1570 -205695.2983 17574.7004 0.0000 0.0000 34478.4374 -148754.9696 301.1088 -183233.4069 -148660.8793 300.9171 -76.6897 -44.4910 557596.1324 -7.8252 -7.8758 PRESSURE: 4180800 10.5726 -123.144 7.63158 -123.144 -292.915 -18.6531 7.63083 -18.6524 89.4515 GPRESSURE: 4180800 17.7753 -61.3322 39.9871 -246.112 -296.457 -67.8378 -6.52808 -3.99777 188.378 PRESSAVG: 4180800 -5.01846 64.8583 13.5416 64.8583 -40.0836 5.53944 13.5416 5.53934 72.0506 GPRESSAVG: 4180800 -6.09892 66.377 15.1278 61.6099 -39.3424 6.0243 11.3926 6.66899 72.9065 TIMING: 4180800 CPU: 12149.5, 0.00288729/step Wall: 12149.5, 0.00288729/step, 0.657019 hours remaining, 206.296875 MB of memory in use. ENERGY: 4180800 786.0270 2115.9791 1932.2333 115.0548 -205952.6717 17683.8307 0.0000 0.0000 34465.2608 -148854.2860 300.9937 -183319.5468 -148749.0405 300.2531 -64.2969 -30.1014 556992.7449 8.9828 9.1551 PRESSURE: 4181000 22.2978 -150.355 -144.677 -150.355 -133.789 -35.1068 -144.678 -35.1069 -216.001 GPRESSURE: 4181000 23.9545 -152.146 -59.5901 -146.796 -60.0741 -85.909 -190.881 -42.2482 -198.614 PRESSAVG: 4181000 9.48263 66.3236 -2.35363 66.3236 -24.3699 28.6687 -2.35375 28.6686 9.07818 GPRESSAVG: 4181000 10.1242 66.7644 -3.77237 67.2713 -23.8171 29.4889 0.0420892 27.7251 7.68336 TIMING: 4181000 CPU: 12150.1, 0.00289711/step Wall: 12150.1, 0.00289711/step, 0.659092 hours remaining, 206.296875 MB of memory in use. ENERGY: 4181000 767.3572 2053.6138 1964.4881 100.1174 -205874.7951 17656.4707 0.0000 0.0000 34384.9991 -148947.7488 300.2927 -183332.7479 -148848.5269 299.9457 -109.1640 -78.2447 556943.0705 -1.9364 -2.0032 PRESSURE: 4181200 89.9365 76.4428 -109.083 76.4426 1.10745 69.8838 -109.082 69.8839 162.574 GPRESSURE: 4181200 178.721 78.6785 -5.60289 59.8532 48.0594 77.4165 -124.461 56.0907 123.361 PRESSAVG: 4181200 11.0064 -0.648826 -71.3476 -0.648753 -9.76924 53.8914 -71.3475 53.8913 18.156 GPRESSAVG: 4181200 10.4154 -1.51632 -69.4143 1.62241 -9.43998 53.042 -75.0546 54.0646 18.0923 TIMING: 4181200 CPU: 12150.7, 0.0028928/step Wall: 12150.7, 0.0028928/step, 0.657951 hours remaining, 206.296875 MB of memory in use. ENERGY: 4181200 736.1493 2085.8848 1955.2363 110.8282 -206138.8408 17902.9712 0.0000 0.0000 34401.3101 -148946.4608 300.4352 -183347.7709 -148844.8934 299.7136 84.5392 116.7141 556384.7905 6.4644 6.3559 PRESSURE: 4181400 -142.119 162.231 124.445 162.231 89.8509 251.835 124.446 251.835 -74.2837 GPRESSURE: 4181400 -88.1655 120.249 212.462 245.499 131.321 145.145 77.322 296.203 -74.1037 PRESSAVG: 4181400 25.9161 -18.8011 -27.9693 -18.8011 6.06005 18.0539 -27.9694 18.0538 4.90205 GPRESSAVG: 4181400 26.3461 -16.7316 -31.2486 -21.0029 5.29172 15.2904 -24.5341 18.9248 5.12516 TIMING: 4181400 CPU: 12151.2, 0.00288432/step Wall: 12151.2, 0.00288432/step, 0.655862 hours remaining, 206.296875 MB of memory in use. ENERGY: 4181400 734.4346 2112.7462 1955.7035 106.4610 -205875.6187 17718.9834 0.0000 0.0000 34417.8849 -148829.4051 300.5799 -183247.2899 -148743.1520 300.6092 -42.1839 -10.3160 556510.7758 12.2927 12.2543 PRESSURE: 4181600 17.8539 -43.7698 31.8666 -43.7688 13.4847 -58.6801 31.8661 -58.6804 -65.1393 GPRESSURE: 4181600 44.4382 -54.5129 60.3746 -87.3519 17.7569 -69.1949 83.0813 -16.2011 0.109201 PRESSAVG: 4181600 -16.8289 0.22095 -4.02256 0.221017 48.6794 -5.21574 -4.02249 -5.21588 -59.6142 GPRESSAVG: 4181600 -17.3594 -0.841522 -4.07538 -0.861175 49.3143 -3.46295 -4.55222 -5.18207 -59.9283 TIMING: 4181600 CPU: 12151.8, 0.00289852/step Wall: 12151.8, 0.00289852/step, 0.65893 hours remaining, 206.296875 MB of memory in use. ENERGY: 4181600 684.1393 2071.5288 1964.0398 104.8323 -205830.6062 17686.8370 0.0000 0.0000 34470.7398 -148848.4892 301.0415 -183319.2290 -148750.1025 300.2845 -11.2669 20.7681 557159.6577 -9.2546 -9.3245 PRESSURE: 4181800 49.8955 -70.5073 3.80657 -70.5075 -192.918 -55.2249 3.80528 -55.2224 6.2093 GPRESSURE: 4181800 65.0185 70.9052 -9.19913 -140.865 -142.819 52.6564 -8.54932 -99.2752 35.1325 PRESSAVG: 4181800 48.9892 17.6829 -19.0589 17.6829 -1.28576 -94.014 -19.059 -94.0141 -17.8122 GPRESSAVG: 4181800 48.5009 17.4659 -19.0273 18.6734 -1.25435 -92.9799 -18.1083 -96.2095 -17.7184 TIMING: 4181800 CPU: 12152.4, 0.00290571/step Wall: 12152.4, 0.00290571/step, 0.660403 hours remaining, 206.500000 MB of memory in use. ENERGY: 4181800 728.5279 2110.0837 1947.0015 118.0848 -205782.6799 17649.1164 0.0000 0.0000 34589.4712 -148640.3944 302.0785 -183229.8656 -148537.9427 300.4033 -45.6044 -14.2228 556133.2065 9.9637 9.8427 PRESSURE: 4182000 -164.214 5.48177 10.6583 5.48166 -19.6191 -48.679 10.6585 -48.681 -186.251 GPRESSURE: 4182000 -146.494 6.85912 87.7567 41.5672 13.1518 -103.671 -98.8987 -85.3414 -145.729 PRESSAVG: 4182000 -34.3999 -49.7495 17.5404 -49.7495 -40.2313 -73.2916 17.5405 -73.2915 43.3458 GPRESSAVG: 4182000 -32.9912 -49.1689 17.8634 -49.564 -41.1825 -75.081 17.9567 -71.3305 42.8588 TIMING: 4182000 CPU: 12153, 0.00290859/step Wall: 12153, 0.00290859/step, 0.660896 hours remaining, 206.500000 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: 4182000 721.1871 2107.2103 1970.1716 117.6211 -205579.3063 17480.0589 0.0000 0.0000 34475.8468 -148707.2105 301.0861 -183183.0573 -148618.0495 300.3644 -123.3615 -93.0236 557724.3610 -10.4285 -10.4383 PRESSURE: 4182200 -189.052 -53.9006 -112.242 -53.9018 -32.6137 22.9098 -112.241 22.9095 -115.427 GPRESSURE: 4182200 -173.427 -23.8436 -52.6527 -35.1287 17.5494 37.5615 -126.342 -41.3995 -107.949 PRESSAVG: 4182200 5.0624 -11.4903 -32.5354 -11.4902 4.2057 -12.0563 -32.5354 -12.0563 -29.5413 GPRESSAVG: 4182200 4.44766 -13.7434 -31.6115 -11.1101 4.43914 -11.4381 -33.3975 -13.624 -29.4471 TIMING: 4182200 CPU: 12153.6, 0.00288669/step Wall: 12153.6, 0.00288669/step, 0.655759 hours remaining, 206.500000 MB of memory in use. ENERGY: 4182200 729.6984 2113.9270 1962.3843 110.3588 -205611.4021 17557.8758 0.0000 0.0000 34364.8734 -148772.2845 300.1170 -183137.1579 -148675.9671 301.1978 -112.3643 -87.9422 559253.1266 -6.7577 -6.8534 PRESSURE: 4182400 277.423 86.2261 -98.3315 86.2258 125.643 75.7359 -98.332 75.7371 80.53 GPRESSURE: 4182400 236.444 125.466 -65.0603 40.1175 218.063 46.3399 -103.553 75.8684 115.539 PRESSAVG: 4182400 5.91191 -33.0298 55.342 -33.0297 33.7131 -34.8971 55.3421 -34.897 -43.7134 GPRESSAVG: 4182400 5.60736 -30.886 54.5254 -32.8729 34.3315 -35.3409 53.4801 -33.7113 -43.7787 TIMING: 4182400 CPU: 12154.1, 0.00288358/step Wall: 12154.1, 0.00288358/step, 0.654894 hours remaining, 206.500000 MB of memory in use. ENERGY: 4182400 728.8681 2048.0439 1968.4310 114.7510 -205736.9188 17820.6329 0.0000 0.0000 34334.7833 -148721.4087 299.8542 -183056.1919 -148622.1827 300.7210 161.1990 190.0155 557998.3609 -1.3628 -1.2799 PRESSURE: 4182600 181.587 -99.3685 -41.5639 -99.3697 217.457 -186.333 -41.5643 -186.333 158.631 GPRESSURE: 4182600 209.47 -82.4064 -88.2908 -114.631 256.196 -195.508 24.2916 -206.899 187.152 PRESSAVG: 4182600 11.7065 18.2747 -3.35586 18.2747 -12.4976 21.4283 -3.35584 21.4283 7.6565 GPRESSAVG: 4182600 11.8511 16.6354 -3.39906 18.105 -13.2051 22.2216 -1.89469 19.2745 8.18193 TIMING: 4182600 CPU: 12154.7, 0.00287557/step Wall: 12154.7, 0.00287557/step, 0.652914 hours remaining, 206.500000 MB of memory in use. ENERGY: 4182600 780.0971 2137.6268 1968.3307 118.5432 -206317.7463 18204.1453 0.0000 0.0000 34220.6940 -148888.3092 298.8578 -183109.0032 -148799.5185 300.3839 185.8916 217.6061 558220.1056 2.2885 2.2760 PRESSURE: 4182800 -27.7608 55.6657 -62.338 55.6663 -170.279 -23.2516 -62.3373 -23.252 -96.9382 GPRESSURE: 4182800 -44.9879 53.6375 10.134 69.3563 -99.8064 54.0853 -81.3314 -46.5707 -48.7067 PRESSAVG: 4182800 63.3554 -53.8833 -19.4443 -53.8834 31.9824 -41.3011 -19.4443 -41.3011 -67.804 GPRESSAVG: 4182800 62.4637 -52.7758 -17.3959 -54.6925 32.5423 -42.2588 -21.377 -38.162 -67.798 TIMING: 4182800 CPU: 12155.3, 0.00289168/step Wall: 12155.3, 0.00289168/step, 0.656411 hours remaining, 206.500000 MB of memory in use. ENERGY: 4182800 761.4157 2079.0632 1951.3155 119.2055 -205868.6671 17592.0872 0.0000 0.0000 34502.0472 -148863.5328 301.3150 -183365.5801 -148771.1082 299.9737 -98.3259 -64.5003 556816.7489 9.1779 9.0693 PRESSURE: 4183000 -110.273 -134.29 -90.4162 -134.29 -30.8066 -16.1204 -90.4163 -16.1196 11.7218 GPRESSURE: 4183000 -81.1417 -140.26 -106.557 -84.535 4.14675 25.5146 -44.03 13.2109 32.911 PRESSAVG: 4183000 30.7228 -28.5969 -28.7047 -28.5969 -54.1629 -1.88271 -28.7047 -1.8827 32.9105 GPRESSAVG: 4183000 31.0426 -28.2778 -29.8603 -28.0014 -53.8629 -0.938079 -27.2353 -2.41986 32.0432 TIMING: 4183000 CPU: 12155.9, 0.002893/step Wall: 12155.9, 0.002893/step, 0.656549 hours remaining, 206.500000 MB of memory in use. ENERGY: 4183000 771.3677 2152.1079 1904.0624 106.4322 -205788.3747 17631.3418 0.0000 0.0000 34566.0287 -148657.0339 301.8737 -183223.0626 -148568.7517 300.5672 -43.1194 -14.6947 559289.2473 3.1568 3.0743 PRESSURE: 4183200 -44.6299 0.544118 121.564 0.543307 182.695 125.322 121.564 125.323 97.947 GPRESSURE: 4183200 -5.03303 -87.0028 88.4513 99.7021 186.603 66.9001 167.346 39.0469 153.766 PRESSAVG: 4183200 -18.194 -81.1069 63.1483 -81.1068 -36.8585 47.4295 63.1483 47.4295 45.2144 GPRESSAVG: 4183200 -17.7213 -81.6944 61.1094 -81.887 -38.0167 44.6406 64.337 46.6378 45.8797 TIMING: 4183200 CPU: 12156.4, 0.00288465/step Wall: 12156.4, 0.00288465/step, 0.654495 hours remaining, 206.500000 MB of memory in use. ENERGY: 4183200 787.7322 2096.2076 1964.6364 103.0552 -205997.5454 18011.7544 0.0000 0.0000 34359.8978 -148674.2619 300.0735 -183034.1597 -148583.2305 300.0235 78.6707 111.7788 559459.2863 -3.2793 -3.2861 PRESSURE: 4183400 99.5789 65.2155 -17.9617 65.2153 207.234 113.077 -17.9608 113.078 -24.2078 GPRESSURE: 4183400 131.812 77.0354 -42.9737 63.0356 241.567 156.637 -34.056 79.622 -10.9455 PRESSAVG: 4183400 -42.3077 -19.0765 35.769 -19.0765 19.2707 33.2581 35.769 33.2581 -6.15452 GPRESSAVG: 4183400 -43.3655 -21.2568 37.2977 -17.9777 19.0985 33.5567 35.5234 35.7679 -5.67214 TIMING: 4183400 CPU: 12157, 0.00289808/step Wall: 12157, 0.00289808/step, 0.65738 hours remaining, 206.500000 MB of memory in use. ENERGY: 4183400 710.6569 2106.5895 1962.3372 127.1669 -205998.9193 17776.5795 0.0000 0.0000 34621.0848 -148694.5044 302.3545 -183315.5892 -148597.5111 300.5312 94.2018 120.8112 556296.4339 -9.7305 -9.9797 PRESSURE: 4183600 217.118 31.646 44.0172 31.6452 6.16828 -183.133 44.0167 -183.133 -149.84 GPRESSURE: 4183600 288.807 34.0453 13.1073 0.571459 18.331 -199.642 41.2587 -124.494 -149.933 PRESSAVG: 4183600 44.7127 -12.125 -12.0065 -12.1252 -46.8962 2.33451 -12.0065 2.33447 1.39611 GPRESSAVG: 4183600 45.4894 -10.0717 -13.248 -13.0237 -47.0158 1.38995 -12.0819 2.51345 0.542615 TIMING: 4183600 CPU: 12157.6, 0.00290931/step Wall: 12157.6, 0.00290931/step, 0.659768 hours remaining, 206.500000 MB of memory in use. ENERGY: 4183600 734.7180 2083.9917 1987.7871 115.1472 -205432.0434 17622.5095 0.0000 0.0000 34196.2520 -148691.6379 298.6444 -182887.8899 -148597.8876 300.5512 24.4822 52.4018 558769.0178 -0.2625 -0.3279 PRESSURE: 4183800 7.79627 -232.54 34.0119 -232.54 101.604 -47.1984 34.0113 -47.1981 -284.898 GPRESSURE: 4183800 32.5245 -217.546 -13.5237 -194.037 172.058 -16.4411 57.0155 -82.1149 -288.101 PRESSAVG: 4183800 -16.8592 -9.66894 -7.93542 -9.66894 -15.4675 3.18727 -7.93538 3.1873 -9.55149 GPRESSAVG: 4183800 -18.1424 -10.1944 -7.17923 -10.6154 -15.0748 5.16008 -6.65037 2.08211 -8.80477 TIMING: 4183800 CPU: 12158.2, 0.00292216/step Wall: 12158.2, 0.00292216/step, 0.662519 hours remaining, 206.500000 MB of memory in use. ENERGY: 4183800 774.4171 2152.3205 1971.2413 120.9851 -205896.4342 17858.4974 0.0000 0.0000 34503.8053 -148515.1676 301.3303 -183018.9729 -148424.6751 300.6740 -58.4992 -27.8394 559336.4660 -13.9594 -14.0073 PRESSURE: 4184000 47.1643 -35.232 -7.78795 -35.2327 -19.817 -7.07073 -7.78848 -7.0701 48.0659 GPRESSURE: 4184000 132.792 40.685 5.19073 -54.445 5.85763 19.6436 -9.57998 -43.4173 36.1479 PRESSAVG: 4184000 13.8975 1.61668 -11.0377 1.61671 57.236 -46.5015 -11.0376 -46.5015 -38.2295 GPRESSAVG: 4184000 14.1263 2.87825 -10.6099 3.10512 57.3042 -47.5914 -10.4282 -44.2433 -38.31 TIMING: 4184000 CPU: 12158.8, 0.00290739/step Wall: 12158.8, 0.00290739/step, 0.659007 hours remaining, 206.500000 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: 4184000 744.0656 2090.2670 1967.5598 107.9521 -205664.5647 17791.9701 0.0000 0.0000 34336.1340 -148626.6162 299.8660 -182962.7501 -148521.5544 300.8127 25.1378 58.2657 558424.3205 10.9680 11.0402 PRESSURE: 4184200 273.523 -46.3526 -77.5356 -46.3528 -23.1526 1.77193 -77.5358 1.7708 79.0667 GPRESSURE: 4184200 287.22 -1.18151 -16.9524 -35.5266 45.1745 -21.679 -108.274 15.2953 94.2839 PRESSAVG: 4184200 55.0428 51.235 11.7146 51.235 -75.6971 -56.3423 11.7144 -56.3422 21.4507 GPRESSAVG: 4184200 54.8807 50.7579 11.4098 51.7463 -75.4122 -56.5788 11.3721 -55.0784 21.1341 TIMING: 4184200 CPU: 12159.3, 0.00288877/step Wall: 12159.3, 0.00288877/step, 0.654627 hours remaining, 206.500000 MB of memory in use. ENERGY: 4184200 740.2789 2107.4987 1954.5932 110.1881 -205600.0985 17780.2347 0.0000 0.0000 34273.4792 -148633.8257 299.3188 -182907.3049 -148539.5745 300.5382 109.8124 142.2261 558308.0459 0.2655 0.2008 LDB: ============= START OF LOAD BALANCING ============== 12162.8 LDB: ============== END OF LOAD BALANCING =============== 12162.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12162.8 LDB: ============= START OF LOAD BALANCING ============== 12163.1 LDB: Largest compute 4848 load 0.027946 is 23.7% of average load 0.117802 LDB: Average compute 0.001736 is 1.5% of average load 0.117802 LDB: TIME 12163.1 LOAD: AVG 0.117802 MAX 0.178647 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.234 MB LDB: TIME 12163.1 LOAD: AVG 0.117802 MAX 0.178647 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.438 MB LDB: TIME 12163.1 LOAD: AVG 0.117802 MAX 0.178647 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12163.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12163.1 PRESSURE: 4184400 225.249 -8.29203 21.7248 -8.29168 25.302 -100.155 21.7242 -100.155 152.447 GPRESSURE: 4184400 235.257 -58.8371 -10.4505 -43.3833 53.6961 -211.966 6.76526 -57.6301 205.787 PRESSAVG: 4184400 18.9522 -38.9353 11.9859 -38.9353 63.6896 3.06224 11.9858 3.06221 -91.0798 GPRESSAVG: 4184400 18.2004 -39.1344 15.3686 -39.4777 65.1321 3.70561 9.54998 -0.921033 -92.0678 TIMING: 4184400 CPU: 12159.9, 0.00293552/step Wall: 12159.9, 0.00293552/step, 0.665058 hours remaining, 207.175781 MB of memory in use. ENERGY: 4184400 718.7203 2105.2688 1963.4128 120.0219 -206024.2590 17921.9878 0.0000 0.0000 34532.0005 -148662.8469 301.5765 -183194.8474 -148570.7521 300.6432 134.3329 164.9133 558390.5738 -2.8127 -2.9117 PRESSURE: 4184600 -54.798 -9.31902 93.0168 -9.32043 287.532 16.5155 93.0158 16.5131 74.0382 GPRESSURE: 4184600 -0.272789 24.2971 37.1136 -55.878 365.974 35.1616 74.9862 32.0755 47.5095 PRESSAVG: 4184600 -15.4836 13.6862 12.2089 13.6862 53.6342 -37.5191 12.2088 -37.519 -33.5177 GPRESSAVG: 4184600 -14.8078 14.0236 11.4588 14.9702 52.8748 -38.2 12.3742 -36.4107 -32.7782 TIMING: 4184600 CPU: 12160.5, 0.00290495/step Wall: 12160.5, 0.00290495/step, 0.657971 hours remaining, 207.707031 MB of memory in use. ENERGY: 4184600 760.9777 2092.5336 1955.6425 118.5120 -206249.3309 17956.5301 0.0000 0.0000 34541.6724 -148823.4626 301.6610 -183365.1350 -148728.5532 301.1892 102.2575 137.7368 556597.8690 1.5443 1.7629 PRESSURE: 4184800 -90.3289 -104.306 -16.1018 -104.306 -34.3982 13.9213 -16.1008 13.9225 -59.493 GPRESSURE: 4184800 -39.9245 -130.999 61.486 -184.334 -15.3895 53.5524 -68.4864 -2.67628 -32.3939 PRESSAVG: 4184800 -34.7819 2.11959 -2.57922 2.11963 37.5944 -17.9015 -2.57923 -17.9016 44.4188 GPRESSAVG: 4184800 -34.4245 0.818402 -2.63985 2.13318 36.8914 -16.7739 -2.5363 -17.7575 44.4696 TIMING: 4184800 CPU: 12161.1, 0.0028979/step Wall: 12161.1, 0.0028979/step, 0.656214 hours remaining, 207.707031 MB of memory in use. ENERGY: 4184800 748.7802 2107.4169 1963.1904 115.4651 -205917.6534 17668.4796 0.0000 0.0000 34386.1883 -148928.1329 300.3031 -183314.3213 -148836.0208 300.1283 -61.4067 -29.2359 557383.5096 15.7438 15.6455 PRESSURE: 4185000 -40.04 -208.492 202.047 -208.49 -56.1836 64.9276 202.047 64.9254 45.1069 GPRESSURE: 4185000 -2.21078 -104.926 193.534 -177.937 -22.139 110.169 141.604 -10.9666 73.6303 PRESSAVG: 4185000 47.4602 1.37627 30.389 1.3763 42.0448 4.74694 30.389 4.74699 -92.4211 GPRESSAVG: 4185000 46.7023 5.41171 29.8504 -0.353476 41.9673 4.81494 31.2193 4.96532 -92.0365 TIMING: 4185000 CPU: 12161.7, 0.00291305/step Wall: 12161.7, 0.00291305/step, 0.659482 hours remaining, 207.707031 MB of memory in use. ENERGY: 4185000 787.0058 2075.9999 1939.5539 101.9724 -206199.7394 18060.2480 0.0000 0.0000 34267.7540 -148967.2055 299.2688 -183234.9595 -148864.0680 299.7057 -17.0389 16.4268 558159.7802 -0.9720 -1.1223 PRESSURE: 4185200 -20.0926 178.424 114.63 178.424 0.654238 -118.13 114.629 -118.129 -205.855 GPRESSURE: 4185200 41.9419 188.637 100.883 243.027 48.6606 -44.3267 98.0128 -179.624 -215.906 PRESSAVG: 4185200 0.82581 37.4315 64.1823 37.4315 -0.694925 4.76385 64.1823 4.7638 -43.738 GPRESSAVG: 4185200 1.00259 34.7955 64.5024 40.0533 -0.388259 2.28923 64.8875 5.57357 -44.1239 TIMING: 4185200 CPU: 12162.3, 0.00288585/step Wall: 12162.3, 0.00288585/step, 0.653164 hours remaining, 207.890625 MB of memory in use. ENERGY: 4185200 744.1865 2139.8165 1954.9026 111.8117 -205874.6552 17842.5660 0.0000 0.0000 34185.6182 -148895.7538 298.5515 -183081.3720 -148801.8746 299.3909 -75.0976 -41.7677 558544.0918 -14.5357 -14.5032 PRESSURE: 4185400 48.2277 -31.2985 172.198 -31.2979 -126.569 -3.60594 172.199 -3.60507 79.8831 GPRESSURE: 4185400 43.2985 -59.899 274.957 -6.9563 -96.4456 -5.82568 116.246 -78.9114 151.882 PRESSAVG: 4185400 60.452 58.3868 72.6236 58.3868 -5.40196 -32.2589 72.6236 -32.259 -57.4992 GPRESSAVG: 4185400 60.4407 56.7316 70.9778 58.3394 -5.15361 -31.0878 73.7913 -33.3409 -57.3384 TIMING: 4185400 CPU: 12162.8, 0.00287845/step Wall: 12162.8, 0.00287845/step, 0.651328 hours remaining, 207.890625 MB of memory in use. ENERGY: 4185400 765.5919 2104.3983 1948.8145 103.7136 -206012.5552 17769.6163 0.0000 0.0000 34293.3045 -149027.1160 299.4920 -183320.4206 -148930.0571 300.1022 0.5140 32.9117 557144.6792 -0.8164 -0.6838 PRESSURE: 4185600 -23.7606 65.8468 18.6042 65.8473 33.8802 19.5715 18.6036 19.5705 97.502 GPRESSURE: 4185600 5.08569 86.8775 7.48031 3.9225 42.7114 -19.8254 -20.1771 99.2811 145.115 PRESSAVG: 4185600 37.3925 31.2672 48.2458 31.2672 6.37394 -18.3051 48.2459 -18.3051 -27.8801 GPRESSAVG: 4185600 38.273 32.0282 48.8586 30.411 5.97363 -18.5365 46.8385 -18.4515 -28.2951 TIMING: 4185600 CPU: 12163.4, 0.00286212/step Wall: 12163.4, 0.00286212/step, 0.647474 hours remaining, 207.890625 MB of memory in use. ENERGY: 4185600 724.7351 2057.5089 1962.7606 116.3024 -206350.4457 17924.9555 0.0000 0.0000 34431.2109 -149132.9723 300.6963 -183564.1832 -149042.6614 299.2045 35.8739 64.3041 556803.9908 5.2955 5.3172 PRESSURE: 4185800 106.741 3.16675 100.51 3.16674 -49.9985 -113.825 100.51 -113.826 -79.7891 GPRESSURE: 4185800 82.4715 38.2468 219.834 -29.9728 9.43338 -148.955 14.1404 -49.5796 -14.2996 PRESSAVG: 4185800 14.9965 26.0179 18.9742 26.0178 45.5607 -51.9042 18.9742 -51.9042 -77.6705 GPRESSAVG: 4185800 14.1992 26.5813 19.3047 26.1953 46.7655 -50.8997 19.8699 -49.3185 -78.0784 TIMING: 4185800 CPU: 12164, 0.00288953/step Wall: 12164, 0.00288953/step, 0.653514 hours remaining, 207.890625 MB of memory in use. ENERGY: 4185800 730.1360 2069.9865 1963.6063 125.5177 -205903.3900 17778.9824 0.0000 0.0000 34119.4556 -149115.7054 297.9737 -183235.1611 -149024.4043 299.4169 -7.6823 25.8684 558085.1009 -5.7044 -5.7046 PRESSURE: 4186000 352.511 73.3943 -89.9307 73.3956 -106.95 129.797 -89.9312 129.799 42.9178 GPRESSURE: 4186000 306.025 -1.65193 -8.02373 91.9217 -102.336 137.155 -37.8634 110.444 170.84 PRESSAVG: 4186000 19.6021 38.3708 -27.7293 38.3709 26.8635 20.6247 -27.7293 20.6247 -47.1692 GPRESSAVG: 4186000 18.5923 36.4085 -27.4025 38.3777 27.1341 20.3581 -28.8295 21.6311 -46.6927 TIMING: 4186000 CPU: 12164.6, 0.00287559/step Wall: 12164.6, 0.00287559/step, 0.650202 hours remaining, 207.890625 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: 4186000 738.2203 2084.5197 1997.0873 122.2006 -206245.6879 18047.8151 0.0000 0.0000 34158.1846 -149097.6604 298.3119 -183255.8449 -149003.0877 299.7549 96.1597 124.8432 558661.4349 -0.2345 -0.3221 PRESSURE: 4186200 18.4629 -30.5162 114.143 -30.516 -86.623 -18.6714 114.143 -18.6712 -369.292 GPRESSURE: 4186200 89.5257 -65.8496 79.3114 5.75663 -53.0889 -6.50768 125.061 -5.46738 -382.697 PRESSAVG: 4186200 50.9848 15.9847 7.1299 15.9846 39.1042 12.766 7.1299 12.766 -97.9601 GPRESSAVG: 4186200 52.302 17.2171 7.18365 14.7596 38.9722 12.1842 7.99376 12.3225 -99.2674 TIMING: 4186200 CPU: 12165.1, 0.00286251/step Wall: 12165.1, 0.00286251/step, 0.647086 hours remaining, 207.890625 MB of memory in use. ENERGY: 4186200 715.7066 2094.6268 1953.8829 118.3751 -205840.1601 17654.8024 0.0000 0.0000 34271.7685 -149030.9977 299.3039 -183302.7662 -148931.1900 299.9012 -145.8173 -115.4200 559231.6361 -2.6237 -2.6644 PRESSURE: 4186400 302.425 107.309 -213.153 107.308 239.357 -203.237 -213.153 -203.239 149.258 GPRESSURE: 4186400 288.403 163.076 -238.909 96.3373 296.851 -286.887 -142.638 -182.078 205.886 PRESSAVG: 4186400 -7.53717 18.0087 0.470838 18.0088 14.3917 40.7089 0.470805 40.7089 0.494486 GPRESSAVG: 4186400 -7.96214 18.7222 0.138941 17.2891 13.1832 39.5647 0.163084 38.7816 1.97073 TIMING: 4186400 CPU: 12165.7, 0.00288472/step Wall: 12165.7, 0.00288472/step, 0.651947 hours remaining, 207.890625 MB of memory in use. ENERGY: 4186400 720.2152 2070.1432 1942.5553 110.2725 -206429.7030 18128.0110 0.0000 0.0000 34311.1922 -149147.3137 299.6482 -183458.5059 -149046.9408 300.0055 230.3467 263.7134 556080.0408 2.4497 2.3973 PRESSURE: 4186600 -224.167 191.273 -217.458 191.272 -160.355 20.0306 -217.456 20.0322 115.448 GPRESSURE: 4186600 -228.985 179.956 -200.55 201.894 -103.822 27.4834 -184.135 -2.68205 153.732 PRESSAVG: 4186600 20.4307 -9.9041 -24.3602 -9.90413 -14.0921 -1.1416 -24.3603 -1.1417 13.5631 GPRESSAVG: 4186600 20.0322 -8.92596 -25.3561 -8.51729 -12.3286 -0.25146 -23.0832 -1.03751 12.3419 TIMING: 4186600 CPU: 12166.3, 0.00285957/step Wall: 12166.3, 0.00285957/step, 0.646104 hours remaining, 207.890625 MB of memory in use. ENERGY: 4186600 711.5771 2090.3797 1945.1012 108.0837 -205985.0740 17526.4024 0.0000 0.0000 34455.6806 -149147.8494 300.9100 -183603.5299 -149046.0513 299.4112 -89.6914 -59.6918 556951.1643 6.6339 6.6818 PRESSURE: 4186800 90.1733 116.286 -14.1915 116.287 109.774 62.8034 -14.1919 62.804 175.245 GPRESSURE: 4186800 138.176 118.618 26.0427 135.021 149.094 66.4241 -44.0169 83.2074 190.702 PRESSAVG: 4186800 -29.916 17.488 -70.6485 17.4881 52.0372 -46.2128 -70.6484 -46.213 56.6584 GPRESSAVG: 4186800 -29.3993 16.7111 -68.3275 17.9506 51.3574 -46.1871 -71.4959 -46.6659 56.3767 TIMING: 4186800 CPU: 12166.9, 0.00287743/step Wall: 12166.9, 0.00287743/step, 0.649979 hours remaining, 207.890625 MB of memory in use. ENERGY: 4186800 737.9965 2058.8018 1955.6589 102.6767 -206150.0521 18021.0042 0.0000 0.0000 34247.1671 -149026.7470 299.0890 -183273.9141 -148925.9758 299.6394 125.0639 159.3239 556989.5122 26.2598 26.1116 PRESSURE: 4187000 -166.722 13.616 -14.8097 13.6163 -99.6318 -168.623 -14.8098 -168.624 -188.995 GPRESSURE: 4187000 -114.152 103.451 -110.75 -26.3403 -112.13 -89.0911 -5.48623 -168.444 -136.136 PRESSAVG: 4187000 -24.0328 42.9591 -11.0167 42.9591 31.6413 -61.1545 -11.0167 -61.1546 -3.77263 GPRESSAVG: 4187000 -24.4535 43.1152 -11.1072 40.7877 31.1698 -60.8561 -10.5534 -60.696 -2.74235 TIMING: 4187000 CPU: 12167.4, 0.00288477/step Wall: 12167.4, 0.00288477/step, 0.651477 hours remaining, 207.890625 MB of memory in use. ENERGY: 4187000 711.2022 2130.4438 1950.0900 113.6447 -205678.1633 17539.8324 0.0000 0.0000 34111.9988 -149120.9515 297.9086 -183232.9503 -149029.2034 298.2275 -151.7829 -120.8057 557676.5679 1.2786 1.3246 PRESSURE: 4187200 202.333 156.598 -120.528 156.598 57.142 -14.0826 -120.527 -14.0835 -280.581 GPRESSURE: 4187200 208.509 162.813 -193.941 73.0286 98.7539 -14.6059 -46.4995 -28.8553 -230.58 PRESSAVG: 4187200 -14.0734 -16.5652 32.9187 -16.5651 -24.2236 -9.62212 32.9187 -9.62193 47.6635 GPRESSAVG: 4187200 -14.4408 -16.8842 30.8716 -16.1502 -23.3232 -9.6001 33.7122 -10.0599 47.5243 TIMING: 4187200 CPU: 12168, 0.00288101/step Wall: 12168, 0.00288101/step, 0.650469 hours remaining, 207.890625 MB of memory in use. ENERGY: 4187200 736.2532 2061.8181 1993.6015 98.5173 -205838.3743 17763.4422 0.0000 0.0000 34217.8380 -148966.9040 298.8329 -183184.7421 -148874.2776 299.4577 -7.0353 25.5609 558598.1354 3.1222 3.2534 PRESSURE: 4187400 -236.039 29.9003 -68.7135 29.8994 -173.006 110.118 -68.7136 110.117 43.0615 GPRESSURE: 4187400 -162.016 1.84082 -35.4695 -3.09637 -142.804 95.7127 -15.6168 142.239 33.1836 PRESSAVG: 4187400 -49.1471 1.31215 -22.9753 1.31221 49.5301 27.1172 -22.9752 27.1171 -12.1242 GPRESSAVG: 4187400 -47.5949 0.98777 -21.4553 3.04472 47.7036 29.6609 -21.2274 28.0003 -12.054 TIMING: 4187400 CPU: 12168.6, 0.00286179/step Wall: 12168.6, 0.00286179/step, 0.64597 hours remaining, 207.890625 MB of memory in use. ENERGY: 4187400 743.8753 2050.7380 1962.6304 112.6645 -205946.5932 17552.7833 0.0000 0.0000 34637.3255 -148886.5761 302.4964 -183523.9016 -148791.4790 299.9487 -121.9947 -90.5457 558099.3504 -3.9137 -3.9818 PRESSURE: 4187600 37.8131 -23.0725 -80.0356 -23.0722 -141.247 -8.28626 -80.0354 -8.28588 82.1396 GPRESSURE: 4187600 75.1701 -10.878 -99.4792 23.2044 -102.019 28.1581 -173.406 -2.74553 103.831 PRESSAVG: 4187600 14.9978 7.5007 -43.0397 7.50078 24.1039 46.7725 -43.0398 46.7725 -10.2259 GPRESSAVG: 4187600 15.1972 8.47016 -44.2065 6.48088 24.5789 44.89 -45.7605 46.3151 -10.8487 TIMING: 4187600 CPU: 12169.2, 0.00288824/step Wall: 12169.2, 0.00288824/step, 0.65178 hours remaining, 207.890625 MB of memory in use. ENERGY: 4187600 765.7057 2066.2137 1939.8903 109.9353 -206053.5165 17874.1746 0.0000 0.0000 34274.9370 -149022.6597 299.3315 -183297.5967 -148922.1943 300.5712 -7.0982 25.6607 558208.7435 9.6252 9.6425 PRESSURE: 4187800 -220.119 -36.9331 0.145853 -36.9328 6.07776 20.9476 0.145072 20.9485 -15.1063 GPRESSURE: 4187800 -175.571 26.4404 -62.1659 -3.21093 55.8074 4.66028 79.0467 29.4455 -17.6182 PRESSAVG: 4187800 39.7363 -36.4644 20.263 -36.4644 24.159 37.7307 20.2631 37.7309 -48.221 GPRESSAVG: 4187800 40.5676 -37.1793 20.6337 -36.0452 24.4653 36.6153 21.1834 38.4788 -48.8979 TIMING: 4187800 CPU: 12169.7, 0.00287299/step Wall: 12169.7, 0.00287299/step, 0.648179 hours remaining, 207.890625 MB of memory in use. ENERGY: 4187800 761.8174 2074.9891 1940.8359 111.8704 -206004.8648 17797.5300 0.0000 0.0000 34247.2720 -149070.5501 299.0899 -183317.8221 -148969.3402 299.8655 -76.3827 -45.7940 558127.1747 5.2248 5.3783 PRESSURE: 4188000 -0.421709 -124.421 -159.407 -124.421 -109.891 205.459 -159.408 205.46 -231.138 GPRESSURE: 4188000 -3.37688 -124.45 -167.772 -156.557 -70.8693 97.224 -174.895 266.522 -172.179 PRESSAVG: 4188000 -6.81708 -24.4798 -25.4521 -24.4798 4.02803 1.25085 -25.4522 1.25076 -6.73604 GPRESSAVG: 4188000 -9.37301 -25.7283 -28.3979 -23.1386 4.88454 1.00966 -24.6139 1.34659 -4.89858 TIMING: 4188000 CPU: 12170.3, 0.00287399/step Wall: 12170.3, 0.00287399/step, 0.648245 hours remaining, 207.890625 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: 4188000 755.9070 2050.6714 1963.8062 108.8643 -205775.8466 17683.3062 0.0000 0.0000 34223.1304 -148990.1612 298.8791 -183213.2916 -148887.9912 299.7746 -113.8167 -82.1417 558107.8446 -3.1750 -3.1290 PRESSURE: 4188200 147.502 15.3674 37.6869 15.3665 -86.0895 -10.9671 37.687 -10.9679 -143.556 GPRESSURE: 4188200 214.447 -31.1396 19.0425 -20.3604 -58.6821 -66.2817 27.6221 36.9421 -147.323 PRESSAVG: 4188200 40.4994 -0.350258 34.3003 -0.350245 5.61091 30.7979 34.3003 30.7977 -10.4548 GPRESSAVG: 4188200 42.5963 0.851267 37.5483 -1.07598 4.33969 32.384 33.7281 31.1473 -11.6116 TIMING: 4188200 CPU: 12170.9, 0.00288129/step Wall: 12170.9, 0.00288129/step, 0.64973 hours remaining, 207.890625 MB of memory in use. ENERGY: 4188200 739.4154 2056.9591 1946.4189 112.0585 -205796.9659 17823.4313 0.0000 0.0000 34229.6319 -148889.0508 298.9359 -183118.6827 -148790.2576 299.8074 -27.3812 2.8139 559003.1910 11.8852 11.7748 LDB: ============= START OF LOAD BALANCING ============== 12174.3 LDB: ============== END OF LOAD BALANCING =============== 12174.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12174.3 LDB: ============= START OF LOAD BALANCING ============== 12174.6 LDB: Largest compute 4848 load 0.028408 is 24.1% of average load 0.117808 LDB: Average compute 0.001749 is 1.5% of average load 0.117808 LDB: TIME 12174.6 LOAD: AVG 0.117808 MAX 0.18087 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 12174.6 LOAD: AVG 0.117808 MAX 0.18087 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 12174.6 LOAD: AVG 0.117808 MAX 0.18087 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12174.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12174.6 PRESSURE: 4188400 15.3954 133.433 -71.1111 133.432 -100.672 79.9324 -71.1109 79.9326 -145.489 GPRESSURE: 4188400 31.7923 136.022 -23.6164 131.924 -88.5174 155.193 -66.6605 -14.1814 -69.7107 PRESSAVG: 4188400 15.4459 19.1024 53.359 19.1025 -24.2762 -19.4995 53.3591 -19.4994 21.9447 GPRESSAVG: 4188400 15.7449 18.1879 52.48 16.2322 -23.7083 -20.3535 53.2226 -19.1893 20.8206 TIMING: 4188400 CPU: 12171.5, 0.00294607/step Wall: 12171.5, 0.00294607/step, 0.664175 hours remaining, 209.156250 MB of memory in use. ENERGY: 4188400 736.0811 2082.3696 1951.1086 111.6276 -205649.1894 17725.1216 0.0000 0.0000 34406.5084 -148636.3724 300.4806 -183042.8808 -148537.0670 300.3072 -76.9219 -42.1453 560066.1630 4.3715 4.2857 PRESSURE: 4188600 143.067 -72.9188 63.1239 -72.9183 204.024 47.6053 63.1227 47.6063 -68.629 GPRESSURE: 4188600 170.1 -19.4696 -5.06111 -64.2232 172.381 -0.011115 155.975 84.64 20.142 PRESSAVG: 4188600 102.073 -6.86565 46.7078 -6.86562 -27.0106 39.4878 46.7078 39.4878 -62.7079 GPRESSAVG: 4188600 100.549 -5.91868 47.5355 -5.4281 -27.2655 38.9616 45.887 40.2342 -60.8645 TIMING: 4188600 CPU: 12172, 0.00288987/step Wall: 12172, 0.00288987/step, 0.651346 hours remaining, 209.156250 MB of memory in use. ENERGY: 4188600 713.3364 2104.7162 1942.0371 126.7757 -205826.5753 17890.2658 0.0000 0.0000 34374.4215 -148675.0226 300.2004 -183049.4441 -148578.6660 300.4346 92.8207 120.8745 558603.8163 4.1183 4.1398 PRESSURE: 4188800 150.025 58.7243 -34.2358 58.7254 67.9869 -40.256 -34.2352 -40.2565 -217.891 GPRESSURE: 4188800 162.911 44.5476 30.6272 -8.39685 119.186 -51.9358 -49.5348 -5.76625 -185.028 PRESSAVG: 4188800 56.7287 -13.1095 -29.8399 -13.1097 -38.7699 22.8403 -29.8398 22.8404 -14.9274 GPRESSAVG: 4188800 57.7753 -14.5836 -29.4827 -12.2744 -38.9289 23.0554 -28.9112 23.1369 -15.5756 TIMING: 4188800 CPU: 12172.6, 0.00288361/step Wall: 12172.6, 0.00288361/step, 0.649773 hours remaining, 209.156250 MB of memory in use. ENERGY: 4188800 744.2729 2090.4714 1975.7807 109.5340 -206204.2948 18013.9444 0.0000 0.0000 34500.0569 -148770.2346 301.2976 -183270.2914 -148672.9627 300.3553 0.0401 32.3566 559367.2453 1.0105 1.0903 PRESSURE: 4189000 97.1379 -86.3073 92.4705 -86.306 -271.381 105.709 92.4707 105.709 -226.67 GPRESSURE: 4189000 65.9186 -99.092 25.5508 -83.0453 -204.597 208.891 122.178 -12.0069 -173.112 PRESSAVG: 4189000 63.9731 4.04868 -14.1694 4.0488 -26.8377 28.9817 -14.1694 28.9816 -11.0188 GPRESSAVG: 4189000 62.7725 5.69479 -13.8443 3.4524 -26.0281 29.9546 -13.9513 27.7953 -10.372 TIMING: 4189000 CPU: 12173.2, 0.0028774/step Wall: 12173.2, 0.0028774/step, 0.648214 hours remaining, 209.156250 MB of memory in use. ENERGY: 4189000 779.8242 2065.0379 1945.1846 107.0002 -205870.9042 17730.8625 0.0000 0.0000 34484.8874 -148758.1073 301.1651 -183242.9947 -148655.2453 301.1906 -133.6380 -103.9299 558023.3712 8.7055 8.7908 PRESSURE: 4189200 -249.109 -96.4408 -155.963 -96.4401 -121.707 66.674 -155.963 66.6751 -227.177 GPRESSURE: 4189200 -221.403 -148.796 -167.102 -142.779 -62.0933 68.7823 -206.248 55.4943 -218.971 PRESSAVG: 4189200 61.0075 -11.2973 15.8998 -11.2973 -5.97853 39.94 15.8999 39.9401 -29.6321 GPRESSAVG: 4189200 62.4134 -13.4693 12.7445 -12.5979 -7.13895 38.2324 16.793 39.4085 -29.2771 TIMING: 4189200 CPU: 12173.8, 0.00288642/step Wall: 12173.8, 0.00288642/step, 0.650087 hours remaining, 209.156250 MB of memory in use. ENERGY: 4189200 733.5351 2011.2428 1966.3249 96.7909 -205427.7967 17322.5790 0.0000 0.0000 34497.7160 -148799.6080 301.2771 -183297.3241 -148698.4187 300.4637 -199.3308 -167.4890 556951.9802 8.4656 8.6658 PRESSURE: 4189400 238.575 -154.807 42.6349 -154.808 -44.1065 -56.6049 42.6349 -56.6044 78.9695 GPRESSURE: 4189400 315.172 -161.13 19.3878 -106.882 -25.7412 -65.929 77.8004 -38.983 57.5909 PRESSAVG: 4189400 26.9825 -19.5457 -33.4015 -19.5457 -9.9776 51.3803 -33.4015 51.3803 -13.502 GPRESSAVG: 4189400 26.5773 -16.8655 -30.8942 -19.6646 -7.97811 50.9643 -35.1222 51.913 -14.9793 TIMING: 4189400 CPU: 12174.4, 0.00290403/step Wall: 12174.4, 0.00290403/step, 0.653891 hours remaining, 209.156250 MB of memory in use. ENERGY: 4189400 757.4004 2108.9137 1955.0132 114.6679 -205795.3502 17797.2596 0.0000 0.0000 34308.7821 -148753.3132 299.6271 -183062.0953 -148660.5978 300.5153 91.1460 115.6739 557848.2818 1.1676 1.2066 PRESSURE: 4189600 140.12 -119.071 -173.155 -119.072 145.601 -38.6362 -173.155 -38.6359 147.731 GPRESSURE: 4189600 158.171 -70.278 -88.732 -166.157 227.814 4.18938 -221.169 -42.2804 132.42 PRESSAVG: 4189600 45.1722 -6.77296 20.8393 -6.773 -16.9108 -29.5865 20.8393 -29.5866 -67.6133 GPRESSAVG: 4189600 45.247 -8.03716 21.4409 -5.49247 -16.9416 -26.858 20.8417 -30.3623 -67.2622 TIMING: 4189600 CPU: 12174.9, 0.0029005/step Wall: 12174.9, 0.0029005/step, 0.652934 hours remaining, 209.156250 MB of memory in use. ENERGY: 4189600 753.9021 2115.2462 1955.7534 107.8158 -206051.3639 18043.9173 0.0000 0.0000 34202.4001 -148872.3291 298.6981 -183074.7291 -148775.0202 299.2697 144.4841 172.8014 558510.4522 -13.1173 -12.9856 PRESSURE: 4189800 69.7477 -163.837 140.654 -163.836 -75.7585 -68.6145 140.654 -68.614 -216.945 GPRESSURE: 4189800 50.6988 -106.781 166.478 -260.062 -21.056 -65.3638 166.369 -115.206 -151.41 PRESSAVG: 4189800 -5.59449 -47.2691 -12.2227 -47.269 26.3557 4.64596 -12.2226 4.64589 -22.3845 GPRESSAVG: 4189800 -5.46189 -46.3862 -13.0385 -48.8176 26.0425 2.36518 -11.4258 6.00539 -21.9199 TIMING: 4189800 CPU: 12175.5, 0.00289335/step Wall: 12175.5, 0.00289335/step, 0.651165 hours remaining, 209.156250 MB of memory in use. ENERGY: 4189800 757.2960 2103.9222 1966.2264 106.9055 -205922.4258 17666.0278 0.0000 0.0000 34595.5017 -148726.5462 302.1311 -183322.0479 -148622.9012 300.2089 -74.3185 -40.5891 558695.7316 -0.5411 -0.4464 PRESSURE: 4190000 131.944 -133.541 -1.7919 -133.543 -59.856 8.08647 -1.79102 8.08527 -254.905 GPRESSURE: 4190000 96.859 -171.059 -123.148 -133.918 -0.960182 38.1427 73.8054 76.4177 -184.518 PRESSAVG: 4190000 4.51696 -66.1124 -35.9589 -66.1125 10.0166 -24.6042 -35.9589 -24.6042 -7.16236 GPRESSAVG: 4190000 5.08206 -67.1972 -36.2961 -64.9189 11.1974 -22.9191 -34.7317 -24.9317 -8.50355 TIMING: 4190000 CPU: 12176.1, 0.00290077/step Wall: 12176.1, 0.00290077/step, 0.652672 hours remaining, 209.156250 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: 4190000 772.0869 2111.7793 1964.3327 118.7430 -205680.8345 17603.6433 0.0000 0.0000 34349.9455 -148760.3038 299.9866 -183110.2492 -148665.3851 300.6172 -60.9392 -29.5398 558486.8634 2.4571 2.5920 PRESSURE: 4190200 -108.392 6.22648 70.0488 6.2262 93.7009 -34.8976 70.0485 -34.8958 -34.0058 GPRESSURE: 4190200 -30.5063 1.03665 120.343 14.3417 118.817 -43.4306 52.5646 -48.2823 -37.5875 PRESSAVG: 4190200 48.5858 15.2467 -31.2463 15.2466 17.5317 -36.1849 -31.2462 -36.1849 -72.7962 GPRESSAVG: 4190200 47.322 16.1996 -31.3192 13.9095 15.8987 -38.5004 -29.4736 -34.9117 -70.6094 TIMING: 4190200 CPU: 12176.7, 0.00287239/step Wall: 12176.7, 0.00287239/step, 0.646129 hours remaining, 209.156250 MB of memory in use. ENERGY: 4190200 745.0194 2137.2006 1977.3812 112.2135 -205925.4048 17794.6189 0.0000 0.0000 34339.7944 -148819.1768 299.8980 -183158.9712 -148723.6010 300.0400 -16.2323 16.9078 557943.9068 -2.2263 -2.4629 PRESSURE: 4190400 127.634 -113.414 81.8611 -113.414 31.1037 8.72005 81.8611 8.71978 -287.779 GPRESSURE: 4190400 132.039 -87.4134 148.785 -64.9806 50.1935 0.881008 60.2821 29.672 -205 PRESSAVG: 4190400 12.0833 -6.18406 23.0427 -6.18403 -2.06321 -2.80455 23.0428 -2.80437 -38.6068 GPRESSAVG: 4190400 12.0428 -7.04747 23.6439 -3.82939 -2.83247 -1.18602 21.2627 -5.85973 -37.8261 TIMING: 4190400 CPU: 12177.3, 0.00289325/step Wall: 12177.3, 0.00289325/step, 0.65066 hours remaining, 209.156250 MB of memory in use. ENERGY: 4190400 737.0042 2118.7304 1956.7172 108.7583 -206066.7954 17848.6521 0.0000 0.0000 34374.8530 -148922.0802 300.2041 -183296.9332 -148821.9717 301.1904 -43.0135 -7.5891 557132.0862 -9.5289 -9.5386 PRESSURE: 4190600 10.7448 105.992 -250.668 105.994 -130.39 -116.829 -250.669 -116.831 -116.825 GPRESSURE: 4190600 65.5557 86.6051 -183.99 138.483 -114.708 -126.887 -261.926 -114.162 -106.494 PRESSAVG: 4190600 45.8722 6.69241 39.7216 6.69242 29.9112 16.5959 39.7216 16.5958 -67.6025 GPRESSAVG: 4190600 46.6381 6.47327 40.6402 6.18034 30.1429 16.7994 36.2966 18.8448 -68.5516 TIMING: 4190600 CPU: 12177.8, 0.00290457/step Wall: 12177.8, 0.00290457/step, 0.653045 hours remaining, 209.156250 MB of memory in use. ENERGY: 4190600 779.2804 2049.8347 1979.8696 120.4171 -206210.8751 17953.1754 0.0000 0.0000 34380.8552 -148947.4427 300.2566 -183328.2979 -148848.3862 299.8379 -78.8235 -51.8821 557225.4400 2.7270 2.7431 PRESSURE: 4190800 -20.4169 -83.272 -101.005 -83.274 -25.4278 -96.2393 -101.004 -96.2392 -102.438 GPRESSURE: 4190800 -2.77133 -53.8632 -19.8042 -75.608 55.6403 -48.2289 -215.294 -163.431 -113.245 PRESSAVG: 4190800 5.28742 53.741 14.3455 53.7411 -10.8346 -25.7356 14.3455 -25.7355 7.24012 GPRESSAVG: 4190800 4.79029 54.0109 15.2778 54.1591 -10.6522 -27.3682 14.9481 -24.4724 7.38435 TIMING: 4190800 CPU: 12178.4, 0.00289256/step Wall: 12178.4, 0.00289256/step, 0.650183 hours remaining, 209.156250 MB of memory in use. ENERGY: 4190800 717.6363 2111.1783 1951.4342 115.9256 -206117.0660 17690.7935 0.0000 0.0000 34311.5328 -149218.5653 299.6511 -183530.0981 -149128.8535 299.5866 -49.4274 -20.1255 558137.5194 0.5643 0.5075 PRESSURE: 4191000 -204.99 159.681 -163.3 159.682 -66.6617 -72.0194 -163.299 -72.0174 224.055 GPRESSURE: 4191000 -137.411 179.662 -237.477 167.956 -4.82612 -66.702 -165.196 -129.193 188.34 PRESSAVG: 4191000 -26.8983 -7.48728 -53.0954 -7.48714 -47.1118 6.69373 -53.0955 6.69356 68.6283 GPRESSAVG: 4191000 -26.8076 -6.05613 -55.4261 -7.8006 -47.4075 7.90989 -51.799 6.5552 68.2272 TIMING: 4191000 CPU: 12179, 0.00287671/step Wall: 12179, 0.00287671/step, 0.64646 hours remaining, 209.156250 MB of memory in use. ENERGY: 4191000 744.2225 2025.7281 1938.5511 112.6554 -206279.9120 17875.8654 0.0000 0.0000 34253.6532 -149329.2363 299.1457 -183582.8894 -149229.7778 299.2726 -15.8655 15.3676 557007.0448 -1.7939 -1.9960 PRESSURE: 4191200 294.805 131.761 -119.022 131.761 2.01519 63.2275 -119.02 63.2269 123.518 GPRESSURE: 4191200 270.409 125.151 -118.513 76.5156 64.0062 39.9965 -113.112 79.9511 180.715 PRESSAVG: 4191200 -54.2503 78.239 -13.4666 78.2391 -52.5841 33.2753 -13.4667 33.2752 77.5815 GPRESSAVG: 4191200 -54.8617 75.6707 -11.1164 76.5049 -52.0935 31.3611 -17.0523 34.4473 77.6711 TIMING: 4191200 CPU: 12179.6, 0.00288279/step Wall: 12179.6, 0.00288279/step, 0.647666 hours remaining, 209.156250 MB of memory in use. ENERGY: 4191200 728.4611 2135.0255 1945.6577 106.1156 -206782.3172 18074.9631 0.0000 0.0000 34393.7931 -149398.3012 300.3695 -183792.0943 -149306.3206 299.1162 140.1128 171.7101 556771.9895 -9.7510 -9.7614 PRESSURE: 4191400 90.8887 -42.8207 0.0341367 -42.8229 -123.229 -23.8165 0.0354579 -23.8161 113.528 GPRESSURE: 4191400 127.622 0.790638 -41.1087 -82.2895 -85.4768 -37.6848 20.2397 -32.6982 133.602 PRESSAVG: 4191400 59.2824 16.1426 -1.20568 16.1426 -52.8976 -1.94395 -1.20566 -1.94395 33.7461 GPRESSAVG: 4191400 59.4604 21.2689 -2.95971 15.0165 -53.8199 0.408098 2.86253 -3.24321 34.4266 TIMING: 4191400 CPU: 12180.1, 0.00288995/step Wall: 12180.1, 0.00288995/step, 0.649114 hours remaining, 209.156250 MB of memory in use. ENERGY: 4191400 729.1194 2100.1188 1967.1581 108.4496 -206056.7195 17779.5855 0.0000 0.0000 34160.7343 -149211.5538 298.3342 -183372.2881 -149118.6567 299.0987 27.0626 58.5826 557242.6874 13.3769 13.3557 PRESSURE: 4191600 285.07 125.556 93.4337 125.555 68.5009 -104.239 93.435 -104.239 -97.4684 GPRESSURE: 4191600 310.9 15.0318 24.4868 207.532 100.652 -118.714 98.1461 -78.7695 -61.6097 PRESSAVG: 4191600 41.6319 -12.1348 -22.3953 -12.1347 -77.7548 -25.689 -22.3952 -25.689 0.734103 GPRESSAVG: 4191600 41.0102 -15.9917 -23.7254 -8.81695 -77.0857 -28.6755 -22.2122 -24.9766 0.445862 TIMING: 4191600 CPU: 12180.7, 0.00288283/step Wall: 12180.7, 0.00288283/step, 0.647356 hours remaining, 209.156250 MB of memory in use. ENERGY: 4191600 714.3102 2104.3030 1959.1013 105.8484 -206241.1757 17921.7441 0.0000 0.0000 34367.4580 -149068.4108 300.1396 -183435.8688 -148973.2026 299.4279 85.3674 116.6475 558163.9313 -11.7963 -11.8765 PRESSURE: 4191800 124.272 -131.598 115.942 -131.599 242.527 68.8911 115.941 68.8905 -283.679 GPRESSURE: 4191800 208.331 -143.986 125.847 -12.6817 212.795 30.7724 132.178 58.2347 -245.736 PRESSAVG: 4191800 -1.93622 17.8841 70.6471 17.8841 45.488 3.68753 70.647 3.68762 -17.6419 GPRESSAVG: 4191800 -0.385537 16.701 71.5491 17.002 45.9694 7.70663 69.1232 0.366618 -19.0119 TIMING: 4191800 CPU: 12181.3, 0.00289937/step Wall: 12181.3, 0.00289937/step, 0.650909 hours remaining, 209.156250 MB of memory in use. ENERGY: 4191800 723.0228 2101.2733 1979.5776 107.2176 -205916.2138 17766.3053 0.0000 0.0000 34227.7432 -149011.0740 298.9194 -183238.8172 -148922.9936 299.8752 27.7070 58.4631 555719.7360 8.6366 8.8573 PRESSURE: 4192000 -184.097 -39.038 -148.74 -39.0386 -130.376 -19.8273 -148.74 -19.8288 -163.316 GPRESSURE: 4192000 -123.32 -44.7068 -115.16 53.1634 -103.181 -12.3619 -146.687 30.0969 -149.005 PRESSAVG: 4192000 99.7862 -31.0653 0.977552 -31.0652 -22.1079 21.5359 0.977528 21.5359 -51.0954 GPRESSAVG: 4192000 98.7062 -29.8395 3.1467 -30.5425 -22.935 17.8859 1.93777 24.8927 -49.3624 TIMING: 4192000 CPU: 12181.9, 0.00288686/step Wall: 12181.9, 0.00288686/step, 0.647941 hours remaining, 209.156250 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: 4192000 734.6533 2050.1530 1945.3139 112.1731 -205887.2300 17574.9092 0.0000 0.0000 34202.7727 -149267.2548 298.7013 -183470.0275 -149165.0095 299.5871 -159.2628 -125.1688 558320.9143 8.8610 8.8029 PRESSURE: 4192200 73.4247 2.62841 130.72 2.62969 13.2002 116.197 130.72 116.197 -107.184 GPRESSURE: 4192200 97.7922 14.5643 171.771 -43.4331 62.5922 116.3 105.894 98.0856 -76.4158 PRESSAVG: 4192200 -32.1834 -49.3725 -21.195 -49.3724 12.365 37.7293 -21.1949 37.7293 17.5666 GPRESSAVG: 4192200 -33.225 -49.1109 -22.17 -49.3861 14.1216 38.9628 -19.3797 36.7882 17.1285 TIMING: 4192200 CPU: 12182.4, 0.00287306/step Wall: 12182.4, 0.00287306/step, 0.644682 hours remaining, 209.156250 MB of memory in use. ENERGY: 4192200 743.7383 2054.7767 1922.9062 114.2215 -206300.1565 18070.3019 0.0000 0.0000 34198.9960 -149195.2158 298.6683 -183394.2118 -149093.9178 299.0901 -6.8529 27.9895 559202.5562 -0.7506 -0.6583 LDB: ============= START OF LOAD BALANCING ============== 12185.9 LDB: ============== END OF LOAD BALANCING =============== 12185.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.9 LDB: ============= START OF LOAD BALANCING ============== 12186.2 LDB: Largest compute 4848 load 0.027323 is 23.2% of average load 0.117757 LDB: Average compute 0.001746 is 1.5% of average load 0.117757 LDB: TIME 12186.2 LOAD: AVG 0.117757 MAX 0.178491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.883 MB LDB: TIME 12186.2 LOAD: AVG 0.117757 MAX 0.178491 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: TIME 12186.2 LOAD: AVG 0.117757 MAX 0.178491 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.953 MB LDB: ============== END OF LOAD BALANCING =============== 12186.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12186.2 PRESSURE: 4192400 152.553 137.456 -20.133 137.455 177.687 -97.9436 -20.1335 -97.9428 22.264 GPRESSURE: 4192400 147.845 202.487 -24.0055 70.1981 188.769 -96.9882 1.14996 -4.62475 105.933 PRESSAVG: 4192400 -23.1162 8.64771 58.2475 8.64772 35.1336 70.3379 58.2475 70.338 -36.5028 GPRESSAVG: 4192400 -21.7144 9.08342 58.2885 6.62365 34.0016 70.6344 52.8886 71.7405 -37.0926 TIMING: 4192400 CPU: 12183, 0.00295778/step Wall: 12183, 0.00295778/step, 0.66353 hours remaining, 208.253906 MB of memory in use. ENERGY: 4192400 741.6022 2101.4722 1949.4089 91.9196 -206480.5417 18129.5244 0.0000 0.0000 34253.8239 -149212.7905 299.1472 -183466.6144 -149119.3456 298.7592 117.5015 147.5157 558567.0299 -8.1618 -8.2685 PRESSURE: 4192600 -93.9977 -14.339 42.7086 -14.3396 -177.807 -13.981 42.7084 -13.9808 -48.7832 GPRESSURE: 4192600 -8.45165 8.91774 -52.5778 -53.4779 -158.362 -35.9387 96.7217 -84.6782 -54.9586 PRESSAVG: 4192600 -17.226 32.5113 8.70572 32.5113 48.3367 -24.0617 8.70582 -24.0618 -18.1641 GPRESSAVG: 4192600 -17.1108 32.4525 5.5161 31.8102 48.9205 -24.2473 11.9141 -23.6991 -19.1555 TIMING: 4192600 CPU: 12183.6, 0.00286578/step Wall: 12183.6, 0.00286578/step, 0.64273 hours remaining, 208.457031 MB of memory in use. ENERGY: 4192600 747.3223 2076.1948 1918.4343 105.5570 -206226.9460 17730.1241 0.0000 0.0000 34434.3397 -149214.9738 300.7237 -183649.3135 -149116.1199 299.2183 -106.8626 -73.9242 558604.8098 4.3155 4.2181 PRESSURE: 4192800 102.367 -4.55352 -105.245 -4.55323 -72.176 35.6244 -105.244 35.6248 62.8009 GPRESSURE: 4192800 133.033 -24.3382 -76.733 10.0238 -6.22091 68.1991 -109.244 52.0683 50.3507 PRESSAVG: 4192800 28.912 -53.0247 1.47487 -53.0247 61.1226 30.8341 1.47493 30.8341 -80.7118 GPRESSAVG: 4192800 27.9061 -54.1832 5.82903 -51.0288 61.1451 30.179 2.33133 31.0267 -79.981 TIMING: 4192800 CPU: 12184.2, 0.00288887/step Wall: 12184.2, 0.00288887/step, 0.64775 hours remaining, 208.457031 MB of memory in use. ENERGY: 4192800 727.1659 2131.5505 1938.7430 117.4777 -206421.0100 18169.4075 0.0000 0.0000 34169.5892 -149167.0762 298.4115 -183336.6654 -149068.2258 299.2032 30.9973 59.0541 559332.8219 3.1076 3.0234 PRESSURE: 4193000 243.175 30.4661 131.666 30.4661 151.723 109.941 131.666 109.94 197.634 GPRESSURE: 4193000 335.502 12.2378 78.3214 3.14031 177.341 126.555 141.141 57.3637 168.51 PRESSAVG: 4193000 75.9941 7.2778 8.96601 7.27782 8.26066 20.7378 8.96609 20.7378 -37.3634 GPRESSAVG: 4193000 77.3847 6.11223 7.65312 8.069 7.09161 19.6757 8.28484 20.9806 -37.4593 TIMING: 4193000 CPU: 12184.8, 0.00288372/step Wall: 12184.8, 0.00288372/step, 0.646433 hours remaining, 208.457031 MB of memory in use. ENERGY: 4193000 736.3446 2098.0359 1949.4882 116.7530 -206557.6527 18304.1719 0.0000 0.0000 34334.3186 -149018.5403 299.8501 -183352.8590 -148928.1873 299.1548 197.5107 227.1178 558837.9616 15.6304 15.6723 PRESSURE: 4193200 -150.394 -117.408 -34.4449 -117.408 -223.358 -201.906 -34.4451 -201.907 -13.8208 GPRESSURE: 4193200 -153.281 -107.274 -129.191 -90.4823 -195.984 -203.911 -135.287 -171.675 58.6836 PRESSAVG: 4193200 14.3155 -11.0566 25.9297 -11.0566 3.51417 -49.7496 25.9298 -49.7498 -32.8898 GPRESSAVG: 4193200 12.218 -8.98797 27.3332 -12.8935 4.85724 -49.0747 24.1014 -47.2592 -32.03 TIMING: 4193200 CPU: 12185.3, 0.00290549/step Wall: 12185.3, 0.00290549/step, 0.651152 hours remaining, 208.457031 MB of memory in use. ENERGY: 4193200 737.8559 2132.7285 1940.4093 102.9655 -205925.4366 17731.8298 0.0000 0.0000 34280.8168 -148998.8307 299.3829 -183279.6475 -148899.0338 299.8697 -129.1909 -96.8603 559592.4821 -5.0200 -4.9849 PRESSURE: 4193400 65.6378 -119.612 48.3876 -119.611 -169.667 47.667 48.3873 47.6676 -1.73848 GPRESSURE: 4193400 109.691 -111.649 99.7081 -72.8923 -122.196 -2.05195 -13.9516 32.5011 7.29988 PRESSAVG: 4193400 5.21311 -44.1404 30.6854 -44.1404 2.93992 30.6992 30.6854 30.6992 -3.08592 GPRESSAVG: 4193400 5.82253 -45.4747 27.3548 -43.3802 2.96825 31.5008 33.0062 27.5365 -4.19524 TIMING: 4193400 CPU: 12185.9, 0.00291182/step Wall: 12185.9, 0.00291182/step, 0.652409 hours remaining, 208.457031 MB of memory in use. ENERGY: 4193400 740.7777 2102.1005 1930.6859 110.8859 -206298.4775 17958.7535 0.0000 0.0000 34464.0813 -148991.1926 300.9834 -183455.2738 -148895.6435 300.4428 -35.2558 -1.7352 558509.1306 1.6890 1.5318 PRESSURE: 4193600 -279.29 -23.8896 -83.3219 -23.89 -159.308 -83.2948 -83.3211 -83.2955 -192.429 GPRESSURE: 4193600 -269.938 -65.1004 -129.187 -12.945 -127.633 -10.1539 -53.7259 -81.1978 -157.835 PRESSAVG: 4193600 4.53539 -43.5732 -29.1556 -43.5733 2.53486 4.58997 -29.1556 4.58996 18.8226 GPRESSAVG: 4193600 4.38009 -42.5245 -27.8165 -43.0874 2.31914 4.65886 -31.5226 6.20032 18.0784 TIMING: 4193600 CPU: 12186.5, 0.00289803/step Wall: 12186.5, 0.00289803/step, 0.649158 hours remaining, 208.457031 MB of memory in use. ENERGY: 4193600 764.3614 2081.8646 1934.4915 122.8909 -206035.0850 17622.5098 0.0000 0.0000 34573.8143 -148935.1525 301.9417 -183508.9668 -148835.6715 300.1723 -210.3421 -185.1351 560355.0605 8.6309 8.2592 PRESSURE: 4193800 -198.077 37.2053 38.8746 37.2056 319.303 -36.6093 38.8764 -36.6099 137.067 GPRESSURE: 4193800 -112.262 0.629301 78.0895 92.9246 344.69 -12.9556 7.66496 -42.4653 126.708 PRESSAVG: 4193800 -17.5036 -21.8272 43.2238 -21.8271 -33.932 43.0494 43.2238 43.0495 39.1377 GPRESSAVG: 4193800 -17.6262 -22.1879 44.6279 -21.5872 -34.1121 42.359 42.4697 40.4025 39.7619 TIMING: 4193800 CPU: 12187.1, 0.00288042/step Wall: 12187.1, 0.00288042/step, 0.645054 hours remaining, 208.601562 MB of memory in use. ENERGY: 4193800 743.7388 2098.2478 1957.8097 111.5344 -206066.2216 17757.2619 0.0000 0.0000 34471.0423 -148926.5868 301.0442 -183397.6291 -148833.4398 300.3190 86.0980 119.7119 556589.7846 -4.0993 -3.9921 PRESSURE: 4194000 -299.578 20.7829 -43.7464 20.783 -193.474 108.494 -43.7464 108.494 80.0449 GPRESSURE: 4194000 -257.35 -22.9422 -103.021 39.0876 -189.774 108.149 -14.6013 138.358 118.425 PRESSAVG: 4194000 -16.0898 -4.65838 4.13668 -4.65837 46.4113 -32.2653 4.13672 -32.2653 21.636 GPRESSAVG: 4194000 -15.9036 -4.48289 4.52509 -5.59056 46.0216 -30.6619 7.16378 -31.3249 21.6312 TIMING: 4194000 CPU: 12187.7, 0.0029023/step Wall: 12187.7, 0.0029023/step, 0.649792 hours remaining, 208.601562 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: 4194000 727.6411 2096.6389 1976.3911 104.8119 -205572.9289 17391.0363 0.0000 0.0000 34123.2885 -149153.1210 298.0072 -183276.4095 -149055.3796 299.9751 -137.6689 -109.5662 557193.1616 17.3192 17.2497 PRESSURE: 4194200 -158.654 65.4287 28.6233 65.4273 -210.507 6.17184 28.6226 6.17052 -197.441 GPRESSURE: 4194200 -144.734 88.9277 -22.971 62.3006 -204.937 4.66557 86.8223 80.6149 -121.219 PRESSAVG: 4194200 -26.7264 41.9666 -28.7489 41.9666 -4.87626 -17.0706 -28.7489 -17.0706 47.2029 GPRESSAVG: 4194200 -26.9007 40.3563 -29.3868 42.079 -5.142 -18.71 -28.185 -18.0612 48.3593 TIMING: 4194200 CPU: 12188.2, 0.00288798/step Wall: 12188.2, 0.00288798/step, 0.646425 hours remaining, 208.601562 MB of memory in use. ENERGY: 4194200 745.3556 2100.9476 1972.4399 118.4037 -206009.7340 17523.6067 0.0000 0.0000 34176.8978 -149372.0828 298.4753 -183548.9805 -149275.1680 298.6984 -188.8674 -156.9631 558129.5904 5.2001 5.4389 PRESSURE: 4194400 -40.0583 -38.4068 38.457 -38.4068 -18.3126 71.6097 38.4587 71.6102 -44.7249 GPRESSURE: 4194400 9.9313 -97.4528 -16.2803 -56.3029 -15.1748 75.9557 34.8181 43.974 -9.0453 PRESSAVG: 4194400 -58.7044 29.529 -47.3057 29.529 -14.4813 4.28738 -47.3057 4.2875 59.3207 GPRESSAVG: 4194400 -58.7444 33.0812 -47.1561 28.8413 -13.4915 3.20159 -46.5583 6.68237 58.4389 TIMING: 4194400 CPU: 12188.8, 0.00289865/step Wall: 12188.8, 0.00289865/step, 0.648654 hours remaining, 208.671875 MB of memory in use. ENERGY: 4194400 747.9337 2053.7375 1934.4110 108.2152 -206197.4707 17754.4036 0.0000 0.0000 34285.1347 -149313.6350 299.4206 -183598.7697 -149221.9784 298.9687 -34.3653 -4.7629 558832.2686 -4.6217 -4.5990 PRESSURE: 4194600 -126.986 49.9281 31.9092 49.9283 12.1751 34.1746 31.9084 34.1735 308.828 GPRESSURE: 4194600 -82.221 39.3584 14.9167 -27.5457 83.5283 62.2641 20.8089 100.684 290.9 PRESSAVG: 4194600 -0.0781027 -32.7032 -31.7464 -32.7032 -105.585 -1.44556 -31.7464 -1.44556 58.3596 GPRESSAVG: 4194600 0.602567 -36.2658 -33.2372 -32.2043 -106.649 -0.52932 -34.5601 -2.4163 58.8041 TIMING: 4194600 CPU: 12189.4, 0.00290839/step Wall: 12189.4, 0.00290839/step, 0.650672 hours remaining, 208.671875 MB of memory in use. ENERGY: 4194600 738.2447 2124.8007 1932.7576 118.4891 -206211.1465 17769.2129 0.0000 0.0000 34256.4816 -149271.1600 299.1704 -183527.6415 -149175.7719 298.7468 64.6723 97.4024 556077.9102 -15.7678 -15.7474 PRESSURE: 4194800 -70.9722 -194.919 43.1792 -194.918 101.721 35.1002 43.1785 35.101 112.684 GPRESSURE: 4194800 -12.5686 -162.108 102.807 -231.309 150.671 45.0899 0.884059 -13.2309 104.361 PRESSAVG: 4194800 -48.5737 -16.7917 19.0379 -16.7916 -30.4774 37.8143 19.0379 37.8144 74.2343 GPRESSAVG: 4194800 -48.7109 -14.7674 20.4277 -15.5669 -29.5291 37.5893 20.9628 37.2468 73.6842 TIMING: 4194800 CPU: 12190, 0.00289107/step Wall: 12190, 0.00289107/step, 0.646636 hours remaining, 208.671875 MB of memory in use. ENERGY: 4194800 737.5885 2052.8740 1953.1508 103.0548 -205879.1007 17768.9175 0.0000 0.0000 34122.9371 -149140.5781 298.0041 -183263.5152 -149052.6153 299.3406 47.8107 80.8213 557157.7481 -1.6056 -1.5186 PRESSURE: 4195000 -255.936 -74.6487 -27.088 -74.6487 -166.778 124.278 -27.0884 124.277 -244.093 GPRESSURE: 4195000 -181.088 -67.2742 -30.8939 -94.0169 -242.625 124.188 60.9115 117.816 -153.539 PRESSAVG: 4195000 -32.7262 -39.5941 6.60001 -39.5941 -5.17123 -12.2358 6.59994 -12.2358 59.7191 GPRESSAVG: 4195000 -32.9971 -40.4838 4.56104 -40.2566 -7.34856 -11.6016 4.49078 -13.1863 61.6703 TIMING: 4195000 CPU: 12190.6, 0.00287933/step Wall: 12190.6, 0.00287933/step, 0.643851 hours remaining, 208.671875 MB of memory in use. ENERGY: 4195000 728.7926 2108.1082 1960.0775 107.5051 -205533.5847 17376.7339 0.0000 0.0000 34213.7403 -149038.6271 298.7971 -183252.3674 -148947.8337 299.9338 -222.2688 -192.4172 557101.0118 7.2739 7.1082 PRESSURE: 4195200 -139.044 -104.015 85.6557 -104.016 -29.8236 -104.126 85.6564 -104.126 51.3396 GPRESSURE: 4195200 -135.921 -87.8205 85.5976 -166.131 -26.7521 -116.637 74.5429 -135.055 138.543 PRESSAVG: 4195200 -48.1391 -65.5193 6.16899 -65.5194 25.3346 2.47047 6.16898 2.47061 2.42709 GPRESSAVG: 4195200 -48.3373 -65.0411 8.51421 -66.1187 27.7 0.827728 6.74922 3.15522 0.48257 TIMING: 4195200 CPU: 12191.1, 0.00287241/step Wall: 12191.1, 0.00287241/step, 0.642143 hours remaining, 208.671875 MB of memory in use. ENERGY: 4195200 723.1488 2064.7730 1922.6047 126.8985 -206195.2531 17838.4989 0.0000 0.0000 34409.2596 -149110.0696 300.5046 -183519.3292 -149015.6728 299.6225 -39.1760 -8.0434 557461.8563 -6.7925 -6.7182 PRESSURE: 4195400 -338.15 69.4246 42.0913 69.4239 -92.9203 -156.97 42.0896 -156.969 -261.689 GPRESSURE: 4195400 -291.141 73.8677 46.7241 108.776 -5.37992 -178.815 99.6049 -148.605 -301.999 PRESSAVG: 4195400 -38.5296 -37.8728 24.9538 -37.8727 74.3404 -19.5116 24.9538 -19.5116 -21.3743 GPRESSAVG: 4195400 -39.2986 -39.5034 24.2113 -37.8941 73.4679 -15.7156 26.7354 -21.0111 -19.4933 TIMING: 4195400 CPU: 12191.7, 0.00288547/step Wall: 12191.7, 0.00288547/step, 0.644902 hours remaining, 208.671875 MB of memory in use. ENERGY: 4195400 742.6516 2111.6260 1923.1936 98.0151 -205914.7118 17647.3798 0.0000 0.0000 34225.2229 -149166.6228 298.8974 -183391.8457 -149059.3953 298.9587 -230.9196 -199.5068 559780.5385 4.8122 4.8920 PRESSURE: 4195600 123.829 -66.5357 17.0051 -66.5341 54.6772 -83.1877 17.0066 -83.1875 296.669 GPRESSURE: 4195600 174.857 -46.9746 106.049 1.22455 114.047 -114.733 -3.94391 -101.966 287.397 PRESSAVG: 4195600 -47.0516 5.5541 -6.69166 5.55416 8.88387 -25.8916 -6.69176 -25.8916 -7.12724 GPRESSAVG: 4195600 -46.1753 7.35628 -5.68034 6.14432 9.09273 -27.617 -9.11515 -25.1616 -8.15069 TIMING: 4195600 CPU: 12192.3, 0.00288836/step Wall: 12192.3, 0.00288836/step, 0.645387 hours remaining, 208.671875 MB of memory in use. ENERGY: 4195600 687.5385 2044.5173 1928.8189 111.4982 -206702.9983 18182.3016 0.0000 0.0000 34273.8274 -149474.4965 299.3219 -183748.3239 -149383.1452 298.0935 158.3917 192.1006 557585.0086 -15.0983 -15.0777 PRESSURE: 4195800 39.9215 -84.4255 82.6862 -84.4257 87.3077 -23.7366 82.6864 -23.7379 -70.879 GPRESSURE: 4195800 62.366 -120.054 63.3976 -83.1953 140.622 -76.5036 78.2147 -4.54432 -42.641 PRESSAVG: 4195800 -25.8604 -27.0638 -10.2016 -27.0638 46.947 -38.1569 -10.2016 -38.1568 28.016 GPRESSAVG: 4195800 -26.0655 -26.1025 -10.0658 -29.884 46.3028 -37.7213 -9.91508 -39.795 29.1322 TIMING: 4195800 CPU: 12192.9, 0.00289719/step Wall: 12192.9, 0.00289719/step, 0.647199 hours remaining, 208.671875 MB of memory in use. ENERGY: 4195800 748.0224 2062.4385 1948.9053 102.5655 -206170.3363 17814.4311 0.0000 0.0000 34084.1618 -149409.8118 297.6655 -183493.9736 -149308.7278 298.4411 18.7834 53.4489 557645.1050 16.3676 16.4565 PRESSURE: 4196000 -55.7574 -113.257 147.326 -113.256 138.168 169.093 147.326 169.094 157.916 GPRESSURE: 4196000 -32.0629 -93.2696 134.566 -48.6853 111.596 102.115 74.8956 137.448 242.139 PRESSAVG: 4196000 43.4411 -43.1495 31.619 -43.1496 -21.9591 37.9974 31.6189 37.9975 51.3924 GPRESSAVG: 4196000 43.4504 -43.7533 29.6839 -42.4234 -21.7404 35.8024 31.8301 39.8826 51.1403 TIMING: 4196000 CPU: 12193.4, 0.0029021/step Wall: 12193.4, 0.0029021/step, 0.648136 hours remaining, 208.671875 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: 4196000 702.4464 1999.4848 1943.1920 121.9825 -206371.6485 17994.8879 0.0000 0.0000 34236.3727 -149373.2820 298.9948 -183609.6548 -149278.1955 298.5874 80.1089 107.2241 557386.0904 24.2915 24.2834 PRESSURE: 4196200 -405.939 7.79472 -75.867 7.79452 -192.832 65.8087 -75.8682 65.8089 217.239 GPRESSURE: 4196200 -378.133 -34.4214 28.0852 -26.6317 -141.72 -27.5129 -147.846 45.9472 230.631 PRESSAVG: 4196200 -27.3564 -30.4461 15.5156 -30.446 -34.2298 -7.77192 15.5156 -7.77189 28.5396 GPRESSAVG: 4196200 -27.4606 -31.6019 17.2065 -29.1262 -33.7378 -6.91047 14.7373 -8.13316 28.0953 TIMING: 4196200 CPU: 12194, 0.00289571/step Wall: 12194, 0.00289571/step, 0.646549 hours remaining, 208.671875 MB of memory in use. ENERGY: 4196200 726.1923 2031.4583 1950.9136 105.7305 -206064.3358 17662.0496 0.0000 0.0000 34179.1013 -149408.8903 298.4946 -183587.9916 -149322.5661 298.4531 -127.1773 -96.4075 557805.9110 -11.0156 -11.0344 LDB: ============= START OF LOAD BALANCING ============== 12197.5 LDB: ============== END OF LOAD BALANCING =============== 12197.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197.5 LDB: ============= START OF LOAD BALANCING ============== 12197.8 LDB: Largest compute 4849 load 0.027114 is 23.0% of average load 0.117767 LDB: Average compute 0.001743 is 1.5% of average load 0.117767 LDB: TIME 12197.8 LOAD: AVG 0.117767 MAX 0.177005 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12197.8 LOAD: AVG 0.117767 MAX 0.177005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 12197.8 LOAD: AVG 0.117767 MAX 0.177005 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12197.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197.8 PRESSURE: 4196400 -5.31678 82.1953 76.8768 82.1949 40.3801 -194.118 76.8762 -194.119 -1.42512 GPRESSURE: 4196400 24.3816 46.0547 146.635 48.4695 59.1261 -136.709 3.78615 -226.013 60.6015 PRESSAVG: 4196400 -37.4969 9.32803 28.5714 9.32807 4.48119 -16.5421 28.5713 -16.5422 18.5914 GPRESSAVG: 4196400 -37.7563 10.0683 31.1334 9.23265 4.4849 -16.977 28.1995 -15.9125 18.3561 TIMING: 4196400 CPU: 12194.6, 0.00295348/step Wall: 12194.6, 0.00295348/step, 0.659282 hours remaining, 208.386719 MB of memory in use. ENERGY: 4196400 745.3851 2010.0442 1957.8292 121.1312 -206210.3525 17942.9089 0.0000 0.0000 34246.6024 -149186.4515 299.0841 -183433.0539 -149093.3216 298.3710 11.2127 48.0364 557996.0249 -4.8081 -4.9718 PRESSURE: 4196600 144.332 -35.538 -196.35 -35.5381 -28.0925 36.3941 -196.349 36.3942 -88.1996 GPRESSURE: 4196600 157.98 -64.1171 -151.292 -28.6407 12.2773 -22.2732 -271.253 28.1171 -62.8243 PRESSAVG: 4196600 10.5281 19.2139 2.19342 19.2138 -13.8171 -26.7046 2.19332 -26.7045 45.0735 GPRESSAVG: 4196600 10.3128 17.0895 -0.630597 19.0685 -13.4155 -24.6976 2.13557 -27.4874 44.838 TIMING: 4196600 CPU: 12195.2, 0.00290899/step Wall: 12195.2, 0.00290899/step, 0.649189 hours remaining, 208.457031 MB of memory in use. ENERGY: 4196600 728.6326 2078.8712 1944.2228 104.7447 -205807.7598 17560.3956 0.0000 0.0000 34260.3170 -149130.5759 299.2039 -183390.8929 -149036.5524 299.4059 9.3465 35.8108 557430.6426 13.9282 13.9117 PRESSURE: 4196800 4.31578 -48.3215 21.6423 -48.3216 -115.126 -7.34703 21.6415 -7.34678 299.121 GPRESSURE: 4196800 32.88 -30.758 -2.96462 -11.0496 -35.6504 -69.2539 32.1835 27.471 291.321 PRESSAVG: 4196800 48.9122 -18.8702 -69.7615 -18.8702 -77.9099 -59.7935 -69.7614 -59.7934 18.8011 GPRESSAVG: 4196800 50.585 -17.7938 -68.815 -19.2184 -79.1767 -60.6461 -70.3039 -61.9975 18.5238 TIMING: 4196800 CPU: 12195.8, 0.00290568/step Wall: 12195.8, 0.00290568/step, 0.64829 hours remaining, 208.457031 MB of memory in use. ENERGY: 4196800 747.0221 2087.0549 1942.0354 121.8917 -205835.1968 17803.4194 0.0000 0.0000 34166.0315 -148967.7418 298.3805 -183133.7734 -148873.8498 299.8922 62.7703 96.1836 558320.8964 -3.3989 -3.3560 PRESSURE: 4197000 -258.016 -31.7645 99.9778 -31.7648 -41.716 -42.0822 99.9781 -42.0831 110.438 GPRESSURE: 4197000 -237.379 -80.7752 158.827 -5.91889 -56.1763 -65.0027 66.0343 -29.9345 214.714 PRESSAVG: 4197000 2.6115 -0.92614 -44.3348 -0.926136 -42.2027 -26.4735 -44.3349 -26.4735 34.9327 GPRESSAVG: 4197000 0.619581 1.13808 -45.8809 -2.56185 -41.4691 -27.6834 -41.9189 -24.7517 36.3352 TIMING: 4197000 CPU: 12196.4, 0.00291555/step Wall: 12196.4, 0.00291555/step, 0.65033 hours remaining, 208.457031 MB of memory in use. ENERGY: 4197000 757.6123 2083.0896 1942.1993 116.0573 -205940.6672 17649.1938 0.0000 0.0000 34259.6997 -149132.8152 299.1985 -183392.5149 -149030.3068 299.4673 -63.0980 -26.2803 557356.3693 -1.5528 -1.5048 PRESSURE: 4197200 148.345 -25.1825 74.7217 -25.182 -43.7925 -24.4425 74.7217 -24.4427 19.0276 GPRESSURE: 4197200 192.25 -30.7816 71.4539 -35.9205 -4.57521 -86.9849 20.7436 -28.2656 45.3951 PRESSAVG: 4197200 -32.442 8.01368 0.935143 8.01358 -59.0495 -13.9447 0.93514 -13.9447 72.2035 GPRESSAVG: 4197200 -32.4514 6.13741 1.04048 10.4819 -58.8025 -11.9962 0.440629 -13.18 72.2201 TIMING: 4197200 CPU: 12196.9, 0.00292142/step Wall: 12196.9, 0.00292142/step, 0.651478 hours remaining, 208.457031 MB of memory in use. ENERGY: 4197200 773.3446 2054.0694 1960.0484 113.0981 -206447.0725 18031.8141 0.0000 0.0000 34409.3310 -149105.3669 300.5052 -183514.6979 -149018.5137 298.2930 41.1935 77.6899 558555.4831 -6.4293 -6.3446 PRESSURE: 4197400 -136.228 11.0214 146.6 11.0214 -132.258 62.9906 146.6 62.9891 -31.1178 GPRESSURE: 4197400 -139.338 -25.9104 195.895 52.1677 -130.502 18.1498 117.886 48.5934 71.3711 PRESSAVG: 4197400 40.516 -25.7411 18.4981 -25.7411 -61.7806 20.8122 18.4981 20.8124 27.7211 GPRESSAVG: 4197400 40.0685 -24.8355 19.2384 -27.9278 -61.1424 18.7038 18.4075 21.9258 27.4517 TIMING: 4197400 CPU: 12197.5, 0.00290826/step Wall: 12197.5, 0.00290826/step, 0.648379 hours remaining, 208.457031 MB of memory in use. ENERGY: 4197400 793.7357 2056.0497 1947.8592 115.2498 -206219.1551 17960.8543 0.0000 0.0000 34274.9798 -149070.4267 299.3319 -183345.4065 -148975.6661 299.4640 -99.8680 -66.1563 558827.9163 2.1522 2.1259 PRESSURE: 4197600 177.237 107.692 -5.24113 107.693 231.198 72.8687 -5.24146 72.8656 9.55968 GPRESSURE: 4197600 160.374 139.307 104.215 35.0188 257.105 -45.8559 -26.9494 63.8174 82.224 PRESSAVG: 4197600 -0.856994 8.93762 36.2461 8.9376 -9.64023 25.5985 36.2461 25.5985 21.6621 GPRESSAVG: 4197600 1.34181 8.67646 35.3177 10.1526 -10.4887 27.7565 36.5237 22.5114 20.9842 TIMING: 4197600 CPU: 12198.1, 0.00289404/step Wall: 12198.1, 0.00289404/step, 0.64505 hours remaining, 208.457031 MB of memory in use. ENERGY: 4197600 747.7619 2088.2280 1893.1531 123.3610 -206450.9518 18303.3696 0.0000 0.0000 34100.6206 -149194.4576 297.8092 -183295.0782 -149102.6817 298.5167 139.3316 166.5675 560109.6143 3.7216 3.9458 PRESSURE: 4197800 -189.597 31.2226 -47.8888 31.2235 6.87762 -81.3642 -47.8892 -81.3641 157.723 GPRESSURE: 4197800 -175.097 -8.7431 -79.3944 77.0778 44.6401 -110.861 -53.6293 -40.2598 198.008 PRESSAVG: 4197800 -55.1209 1.72469 15.8673 1.7247 -21.7773 -0.57509 15.8674 -0.575064 96.8525 GPRESSAVG: 4197800 -55.4609 0.50426 15.7964 2.33625 -20.9299 1.82959 17.3977 0.0592415 96.7355 TIMING: 4197800 CPU: 12198.7, 0.00289713/step Wall: 12198.7, 0.00289713/step, 0.645577 hours remaining, 208.457031 MB of memory in use. ENERGY: 4197800 741.6851 2142.3276 1933.3815 124.1631 -206626.1426 18003.2762 0.0000 0.0000 34471.5112 -149209.7978 301.0483 -183681.3091 -149117.7572 299.2298 -8.3321 22.5172 557907.2187 6.6514 6.7816 PRESSURE: 4198000 4.9374 10.3559 61.2807 10.3567 -115.223 -216.681 61.2806 -216.682 52.7072 GPRESSURE: 4198000 9.83663 -42.5124 45.3935 30.9195 -60.7975 -157.669 92.8853 -317.904 85.3998 PRESSAVG: 4198000 -16.0889 -57.6818 22.9848 -57.6819 -40.1026 -43.7695 22.9848 -43.7695 85.5505 GPRESSAVG: 4198000 -16.7744 -55.8804 23.2971 -57.3781 -40.5926 -45.1557 20.5946 -44.4632 86.5628 TIMING: 4198000 CPU: 12199.3, 0.00290048/step Wall: 12199.3, 0.00290048/step, 0.646162 hours remaining, 208.457031 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: 4198000 759.6815 2103.2149 1936.8687 99.0055 -206583.0512 17932.5091 0.0000 0.0000 34471.6218 -149280.1497 301.0492 -183751.7715 -149192.8952 299.0392 -19.1929 11.4797 558402.3826 9.7863 9.7320 PRESSURE: 4198200 -195.449 13.3136 -34.3053 13.313 -35.4021 -10.0369 -34.3048 -10.0351 -316.627 GPRESSURE: 4198200 -144.187 45.3527 18.7021 -50.7161 43.9866 19.924 3.72887 -14.3696 -358.509 PRESSAVG: 4198200 73.082 -72.4111 34.641 -72.4111 33.1506 -77.0709 34.641 -77.0708 -98.2446 GPRESSAVG: 4198200 72.7552 -72.0779 35.9215 -73.0604 33.5261 -76.1341 33.4133 -76.1939 -98.3092 TIMING: 4198200 CPU: 12199.8, 0.00290084/step Wall: 12199.8, 0.00290084/step, 0.646081 hours remaining, 208.820312 MB of memory in use. ENERGY: 4198200 742.2235 2077.8363 1947.0770 108.0317 -206115.4923 17767.0177 0.0000 0.0000 34126.2785 -149347.0276 298.0333 -183473.3060 -149254.2077 298.9426 -182.4926 -152.9033 558670.8570 2.6627 2.6574 PRESSURE: 4198400 -262.14 -129.878 75.5539 -129.878 -185.646 47.1034 75.5543 47.1021 -336.391 GPRESSURE: 4198400 -215.657 -178.35 75.7337 -97.5109 -187.716 47.4245 94.516 97.9303 -290.033 PRESSAVG: 4198400 78.1069 -79.4796 16.0833 -79.4796 -39.0912 13.1396 16.0833 13.1396 0.056863 GPRESSAVG: 4198400 79.4726 -80.6852 14.0402 -80.6096 -39.326 10.5695 18.1007 13.8679 -1.38178 TIMING: 4198400 CPU: 12200.4, 0.00289729/step Wall: 12200.4, 0.00289729/step, 0.645131 hours remaining, 208.820312 MB of memory in use. ENERGY: 4198400 754.0050 2096.3078 1944.7936 104.1490 -206177.7717 17588.6944 0.0000 0.0000 34291.5671 -149398.2548 299.4768 -183689.8219 -149300.8445 298.8125 -261.3922 -231.1356 559022.7613 13.0242 12.9216 PRESSURE: 4198600 93.3918 59.1969 -179.017 59.1965 -26.3234 -38.1057 -179.017 -38.108 67.4899 GPRESSURE: 4198600 122.742 9.37604 -164.247 117.124 14.4135 -75.8027 -208.6 58.7545 97.9959 PRESSAVG: 4198600 2.64547 -61.7441 -21.1505 -61.7441 34.6681 31.2935 -21.1506 31.2934 -60.3875 GPRESSAVG: 4198600 1.6688 -61.2038 -21.8176 -59.459 35.4227 30.9122 -21.1273 33.3665 -60.6027 TIMING: 4198600 CPU: 12201, 0.00290094/step Wall: 12201, 0.00290094/step, 0.645782 hours remaining, 208.820312 MB of memory in use. ENERGY: 4198600 729.5007 2110.9669 1954.9932 107.9346 -206193.9348 17912.6322 0.0000 0.0000 34112.1878 -149265.7194 297.9102 -183377.9072 -149166.0778 299.0734 44.8528 78.3838 556497.7974 -7.6913 -7.8370 PRESSURE: 4198800 -188.956 52.4723 99.7338 52.4724 -3.10854 -265.319 99.7339 -265.317 -208.832 GPRESSURE: 4198800 -134.589 114.985 93.3333 149.967 41.9067 -210.559 70.7348 -288.122 -214.206 PRESSAVG: 4198800 -50.9061 -47.6968 34.2479 -47.6967 27.8092 -29.7623 34.2479 -29.7624 10.5723 GPRESSAVG: 4198800 -50.0845 -45.7004 36.0299 -49.6608 27.3543 -28.7161 35.6966 -32.5682 10.5181 TIMING: 4198800 CPU: 12201.6, 0.00289223/step Wall: 12201.6, 0.00289223/step, 0.643681 hours remaining, 208.820312 MB of memory in use. ENERGY: 4198800 746.4710 2122.9489 1943.2217 110.0755 -206212.0419 17718.1326 0.0000 0.0000 34537.8389 -149033.3533 301.6275 -183571.1922 -148934.3026 300.0021 -133.6321 -102.2960 559030.1293 -4.1749 -4.0707 PRESSURE: 4199000 -15.4263 -72.8922 -28.5112 -72.8922 -182.122 -107.179 -28.5095 -107.179 71.3403 GPRESSURE: 4199000 -11.5606 -20.3773 -42.1867 -127.547 -125.115 -195.996 -44.7585 -103.074 106.833 PRESSAVG: 4199000 -14.9468 -24.8679 79.9942 -24.8677 -1.97331 23.9971 79.9942 23.9972 27.5011 GPRESSAVG: 4199000 -16.3992 -26.8246 79.1427 -22.4679 -1.58509 23.0635 79.7382 26.2218 28.9243 TIMING: 4199000 CPU: 12202.2, 0.00290193/step Wall: 12202.2, 0.00290193/step, 0.645679 hours remaining, 208.820312 MB of memory in use. ENERGY: 4199000 770.6028 2137.0380 1935.6323 112.7505 -205682.3588 17588.5621 0.0000 0.0000 34184.3397 -148953.4334 298.5403 -183137.7731 -148853.7081 299.9114 -42.0694 -9.9478 558919.2647 3.5270 3.6467 PRESSURE: 4199200 -149.302 55.9517 24.0532 55.953 -13.6936 -120.327 24.0528 -120.327 -128.671 GPRESSURE: 4199200 -115.557 104.017 86.0743 41.5461 -0.470148 -105.343 25.7506 -90.0117 -88.8264 PRESSAVG: 4199200 -26.1955 -2.33411 9.28597 -2.33416 46.1683 18.9519 9.28599 18.9518 28.6563 GPRESSAVG: 4199200 -24.893 -1.49768 10.9018 -4.2063 45.4458 19.1808 7.55365 18.6397 28.0864 TIMING: 4199200 CPU: 12202.7, 0.00286432/step Wall: 12202.7, 0.00286432/step, 0.637151 hours remaining, 208.820312 MB of memory in use. ENERGY: 4199200 810.3432 2065.4126 1970.8834 117.6327 -206079.5782 17904.9906 0.0000 0.0000 34190.3389 -149019.9768 298.5927 -183210.3157 -148920.5208 299.9412 -97.2222 -68.2845 558803.9888 16.2097 16.2130 PRESSURE: 4199400 -99.3027 -37.6739 47.1806 -37.6731 -83.6468 -227.629 47.18 -227.629 49.0902 GPRESSURE: 4199400 -44.3985 -77.528 20.2397 -63.5846 -11.8161 -137.397 40.2094 -246.496 1.62342 PRESSAVG: 4199400 -14.5501 52.3327 -37.9011 52.3327 46.055 -6.99185 -37.9012 -6.99186 -54.9005 GPRESSAVG: 4199400 -13.9935 52.2066 -39.1485 52.5618 47.1142 -4.85612 -37.9672 -9.69685 -56.5828 TIMING: 4199400 CPU: 12203.3, 0.00285338/step Wall: 12203.3, 0.00285338/step, 0.634561 hours remaining, 208.820312 MB of memory in use. ENERGY: 4199400 761.9694 2097.6993 1949.5677 113.7858 -206229.3928 17894.2688 0.0000 0.0000 34416.2091 -148995.8925 300.5653 -183412.1017 -148892.9702 299.6423 -44.6197 -18.1971 559649.1860 -7.7985 -7.8207 PRESSURE: 4199600 228.742 68.771 -66.9534 68.7723 474.842 149.115 -66.9532 149.114 208.073 GPRESSURE: 4199600 303.893 -15.298 -63.3448 159.153 462.777 140.791 -111.092 121.24 234.492 PRESSAVG: 4199600 18.5568 43.1268 -80.6519 43.1267 12.8517 -4.38525 -80.6519 -4.38518 2.7293 GPRESSAVG: 4199600 17.9915 45.4969 -80.8892 42.1102 11.8931 -5.24686 -79.3236 -2.53731 4.31986 TIMING: 4199600 CPU: 12203.9, 0.00289239/step Wall: 12203.9, 0.00289239/step, 0.643075 hours remaining, 208.820312 MB of memory in use. ENERGY: 4199600 741.3638 2124.2103 1929.0795 106.9756 -206901.4848 18384.9076 0.0000 0.0000 34619.4078 -148995.5403 302.3399 -183614.9481 -148893.4319 300.2549 303.8858 333.7210 557426.7985 11.3793 11.4015 PRESSURE: 4199800 324.003 -10.8767 38.9026 -10.8767 89.8443 53.5645 38.9028 53.563 -69.3649 GPRESSURE: 4199800 331.696 57.5098 15.2816 -15.404 133.227 56.0602 15.6095 -6.56252 -16.5918 PRESSAVG: 4199800 -19.9097 20.4579 -9.01434 20.4579 46.9136 17.5137 -9.01441 17.5138 13.3858 GPRESSAVG: 4199800 -18.7027 19.1787 -6.4678 23.3834 46.8628 16.8585 -10.8669 17.9301 12.6372 TIMING: 4199800 CPU: 12204.5, 0.00288241/step Wall: 12204.5, 0.00288241/step, 0.640696 hours remaining, 208.820312 MB of memory in use. ENERGY: 4199800 741.6739 2110.5881 1930.7230 115.2067 -206113.1074 17994.4206 0.0000 0.0000 34279.3065 -148941.1886 299.3697 -183220.4950 -148852.3642 300.2244 114.8275 149.4438 557673.2413 13.4632 13.5991 WRITING COORDINATES TO DCD FILE MD.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES PRESSURE: 4200000 -139.362 -107.626 -81.7218 -107.627 -22.5751 -54.3579 -81.7196 -54.359 134.446 GPRESSURE: 4200000 -89.4082 -157.577 -41.6291 -82.2369 -5.35936 -6.4976 -146.894 -97.3412 163.952 PRESSAVG: 4200000 -37.6305 26.5787 -4.65409 26.5787 14.2593 -15.7031 -4.65405 -15.7031 8.87481 GPRESSAVG: 4200000 -38.3847 27.2326 -6.05928 25.1437 14.6068 -15.0502 -4.65663 -17.82 9.1925 TIMING: 4200000 CPU: 12205.1, 0.00293769/step Wall: 12205.1, 0.00293769/step, 0.652819 hours remaining, 208.820312 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: 4200000 734.2067 2061.5690 1956.3182 109.9252 -206234.5824 17863.4254 0.0000 0.0000 34484.0422 -149025.0958 301.1577 -183509.1380 -148931.7102 299.6717 -9.1636 23.0616 557529.6606 -4.8321 -4.8618 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 -127.276 73.0086 16.8692 73.0088 30.1463 -105.8 16.8693 -105.801 -57.7161 GPRESSURE: 4200200 -86.1875 84.4667 97.7691 102.454 93.4246 -83.1545 -44.9753 -108.97 -61.5654 PRESSAVG: 4200200 -70.2395 15.8458 21.8861 15.8457 38.4579 12.6306 21.886 12.6307 44.5408 GPRESSAVG: 4200200 -69.9127 13.9963 20.4439 15.7982 39.0482 10.058 22.3762 16.0088 43.4817 TIMING: 4200200 CPU: 12205.6, 0.00291132/step Wall: 12205.6, 0.00291133/step, 0.6468 hours remaining, 208.820312 MB of memory in use. ENERGY: 4200200 714.7936 2068.5114 1964.8468 108.3371 -205967.0949 17631.3988 0.0000 0.0000 34423.4317 -149055.7755 300.6284 -183479.2072 -148961.3246 299.7144 -51.6154 -18.1094 557007.0685 4.2531 4.2057 LDB: ============= START OF LOAD BALANCING ============== 12209.1 LDB: ============== END OF LOAD BALANCING =============== 12209.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12209.1 LDB: ============= START OF LOAD BALANCING ============== 12209.4 LDB: Largest compute 4848 load 0.026902 is 22.8% of average load 0.117820 LDB: Average compute 0.001742 is 1.5% of average load 0.117820 LDB: TIME 12209.4 LOAD: AVG 0.11782 MAX 0.179673 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 12209.4 LOAD: AVG 0.11782 MAX 0.179673 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: TIME 12209.4 LOAD: AVG 0.11782 MAX 0.179673 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12209.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12209.4 PRESSURE: 4200400 -182.824 33.7256 31.2716 33.7255 -9.2569 -6.7834 31.2722 -6.78352 -97.93 GPRESSURE: 4200400 -135.462 105.698 -16.6907 15.2113 57.6696 -84.3522 64.7102 137.549 -105.626 PRESSAVG: 4200400 -51.016 31.89 -49.4751 31.8901 9.99694 -24.5879 -49.4751 -24.5879 66.0516 GPRESSAVG: 4200400 -50.6763 32.0156 -48.0759 30.855 8.5662 -21.9883 -50.0868 -25.5252 67.2223 TIMING: 4200400 CPU: 12206.2, 0.00293393/step Wall: 12206.2, 0.00293393/step, 0.651657 hours remaining, 207.589844 MB of memory in use. ENERGY: 4200400 748.3933 2062.8529 1940.8662 109.6217 -205630.5739 17509.0096 0.0000 0.0000 34282.0543 -148977.7759 299.3937 -183259.8302 -148872.5417 300.0755 -96.6702 -61.1394 557012.6918 8.3442 8.3707 PRESSURE: 4200600 -29.5668 34.2233 65.4623 34.2234 33.0662 27.4612 65.4623 27.4622 295.151 GPRESSURE: 4200600 -6.82613 46.4076 -30.7736 48.1231 82.2114 32.1712 149.356 -26.1072 311.299 PRESSAVG: 4200600 -77.1359 18.5128 -18.9133 18.5128 45.8167 8.54306 -18.9133 8.54303 20.4193 GPRESSAVG: 4200600 -78.6857 18.7047 -20.7202 20.2105 47.1769 9.53027 -17.9939 6.86648 19.6825 TIMING: 4200600 CPU: 12206.8, 0.00287435/step Wall: 12206.8, 0.00287435/step, 0.638265 hours remaining, 207.792969 MB of memory in use. ENERGY: 4200600 793.2282 2134.0802 1925.8447 109.2727 -206423.1002 18011.8644 0.0000 0.0000 34281.8996 -149166.9104 299.3924 -183448.8100 -149073.2169 299.6744 99.5502 128.8949 556158.6160 -3.6333 -3.9421 PRESSURE: 4200800 -359.967 -81.981 -36.7607 -81.9821 -99.3354 -71.9156 -36.7587 -71.9164 -471.781 GPRESSURE: 4200800 -292.57 -189.779 33.2565 -99.4464 -62.0761 12.088 -35.1053 -137.26 -473.83 PRESSAVG: 4200800 -50.3925 -44.9637 34.2502 -44.9637 36.7424 41.1427 34.2502 41.1426 48.5155 GPRESSAVG: 4200800 -50.4343 -43.6838 34.3112 -45.0426 35.7533 39.8503 33.723 43.3488 49.5276 TIMING: 4200800 CPU: 12207.4, 0.00288185/step Wall: 12207.4, 0.00288185/step, 0.639771 hours remaining, 207.792969 MB of memory in use. ENERGY: 4200800 767.1737 2041.9211 1932.7267 102.8372 -205937.5729 17553.3921 0.0000 0.0000 34458.0846 -149081.4375 300.9310 -183539.5221 -148983.4623 298.8168 -310.3613 -276.1587 558873.2200 11.6218 11.6155 PRESSURE: 4201000 22.4929 -148.403 18.449 -148.404 147.832 96.7955 18.4486 96.7951 -80.088 GPRESSURE: 4201000 91.4369 -94.6564 53.1918 -80.8705 151.802 136.697 13.8877 71.5406 -60.2053 PRESSAVG: 4201000 8.37431 46.8058 17.8571 46.8058 -3.00022 101.433 17.8571 101.433 14.5984 GPRESSAVG: 4201000 8.25454 48.3529 19.995 46.6348 -3.962 102.249 18.362 100.556 15.0321 TIMING: 4201000 CPU: 12208, 0.0028787/step Wall: 12208, 0.0028787/step, 0.638912 hours remaining, 207.792969 MB of memory in use. ENERGY: 4201000 732.1746 2132.0193 1936.4276 115.9329 -206283.6969 17967.4761 0.0000 0.0000 34259.6019 -149140.0645 299.1976 -183399.6664 -149047.1363 299.2576 30.0789 61.0111 557815.2712 6.6575 6.4415 PRESSURE: 4201200 -119.808 -44.5247 -160.074 -44.5236 -89.9843 -39.9986 -160.074 -39.9978 -143.33 GPRESSURE: 4201200 -121.752 -22.5404 -188.797 -48.4279 -62.0573 0.491406 -97.935 -96.9048 -72.5776 PRESSAVG: 4201200 36.291 -4.36099 29.2004 -4.36111 -34.596 -2.81343 29.2004 -2.81343 -1.536 GPRESSAVG: 4201200 36.6622 -6.6472 27.1801 -4.0324 -33.6163 -4.46837 29.2409 -1.49285 -3.16635 TIMING: 4201200 CPU: 12208.5, 0.00288154/step Wall: 12208.5, 0.00288154/step, 0.639383 hours remaining, 207.792969 MB of memory in use. ENERGY: 4201200 773.5511 2060.7951 1939.6484 123.5035 -205868.5276 17631.7676 0.0000 0.0000 34351.8592 -148987.4026 300.0033 -183339.2619 -148891.3855 299.2662 -117.7073 -85.4622 558476.6981 0.0530 -0.0401 PRESSURE: 4201400 357.293 87.6319 60.5576 87.6315 102.621 -15.2117 60.557 -15.2118 212.481 GPRESSURE: 4201400 388.336 93.4305 56.6542 92.8446 148.78 5.13201 52.8879 39.8332 230.992 PRESSAVG: 4201400 -9.21191 12.2595 46.7555 12.2595 -57.0243 12.7023 46.7555 12.7023 64.6109 GPRESSAVG: 4201400 -8.43692 11.6143 48.0714 11.6812 -57.7655 16.2957 46.679 10.5147 64.5323 TIMING: 4201400 CPU: 12209.1, 0.00290132/step Wall: 12209.1, 0.00290132/step, 0.643609 hours remaining, 208.089844 MB of memory in use. ENERGY: 4201400 732.5485 2112.5992 1949.7686 112.0971 -206323.7843 18075.5395 0.0000 0.0000 34380.0722 -148961.1593 300.2497 -183341.2314 -148859.4848 299.5448 224.1318 256.0359 557269.0628 -0.5418 -0.5567 PRESSURE: 4201600 -155.866 44.1758 -88.4134 44.1771 -61.263 83.698 -88.413 83.6988 66.5549 GPRESSURE: 4201600 -101.666 43.7633 -141.013 113.668 -21.6103 28.2521 -95.1841 14.2703 65.2143 PRESSAVG: 4201600 50.4717 42.394 62.8762 42.394 -8.72966 -21.8871 62.8762 -21.8871 -19.9551 GPRESSAVG: 4201600 49.4334 42.6418 61.5223 42.3995 -9.11527 -22.1777 63.836 -22.6469 -18.3439 TIMING: 4201600 CPU: 12209.7, 0.00289677/step Wall: 12209.7, 0.00289677/step, 0.642439 hours remaining, 208.332031 MB of memory in use. ENERGY: 4201600 751.9399 2118.8048 1943.3206 104.8023 -205806.0526 17656.2332 0.0000 0.0000 34447.4045 -148783.5474 300.8378 -183230.9519 -148685.0865 299.4832 -50.1912 -19.3539 559731.1095 7.2623 7.3247 PRESSURE: 4201800 -140.495 24.9883 175.971 24.9894 292.057 43.3473 175.971 43.3464 90.483 GPRESSURE: 4201800 -104.547 31.6079 98.8372 73.0894 281.086 62.394 166.256 -111.251 155.235 PRESSAVG: 4201800 -39.0984 12.4596 -16.8205 12.4596 26.645 -13.2925 -16.8204 -13.2925 61.6525 GPRESSAVG: 4201800 -38.3208 14.8333 -16.3099 11.7315 27.1194 -17.8853 -17.3335 -11.1644 60.5702 TIMING: 4201800 CPU: 12210.3, 0.00289379/step Wall: 12210.3, 0.00289379/step, 0.641618 hours remaining, 208.332031 MB of memory in use. ENERGY: 4201800 709.1315 2095.6464 1952.2462 110.2163 -206177.5216 17916.5537 0.0000 0.0000 34680.6370 -148713.0905 302.8746 -183393.7274 -148614.9367 301.1827 80.6816 110.5914 556974.2672 16.3997 16.4563 PRESSURE: 4202000 -154.67 167.996 103.233 167.995 2.1584 -30.7357 103.234 -30.7372 -190.507 GPRESSURE: 4202000 -81.7329 142.6 63.3683 118.923 11.1455 -26.6419 63.1181 5.91393 -186.273 PRESSAVG: 4202000 -60.7599 49.9329 7.32239 49.9329 5.3515 -21.4006 7.3225 -21.4007 64.242 GPRESSAVG: 4202000 -60.8944 48.8226 9.45111 49.1302 4.78983 -17.0063 6.52191 -21.8945 64.5122 TIMING: 4202000 CPU: 12210.8, 0.00288736/step Wall: 12210.8, 0.00288736/step, 0.640032 hours remaining, 208.332031 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: 4202000 763.9167 2156.5556 1951.6429 112.3481 -205919.6653 17807.5133 0.0000 0.0000 34473.4935 -148654.1952 301.0656 -183127.6888 -148562.3088 301.3080 -114.3396 -85.6203 559361.3393 2.9446 2.8025 PRESSURE: 4202200 -123.471 -151.314 150.719 -151.315 -103.531 -286.097 150.718 -286.098 2.7895 GPRESSURE: 4202200 -56.5233 -154.535 60.3512 -175.913 -53.531 -315.016 112.907 -224.47 -7.0868 PRESSAVG: 4202200 -16.1271 57.3184 -3.60702 57.3183 -41.8553 -25.7973 -3.60697 -25.7974 34.4125 GPRESSAVG: 4202200 -16.7424 54.574 -6.6584 59.6902 -41.1148 -27.2215 -3.07157 -24.8814 34.2583 TIMING: 4202200 CPU: 12211.4, 0.00290955/step Wall: 12211.4, 0.00290955/step, 0.644789 hours remaining, 208.332031 MB of memory in use. ENERGY: 4202200 706.0946 2106.1143 1964.0288 107.9952 -205469.6615 17618.3980 0.0000 0.0000 34292.4231 -148674.6075 299.4843 -182967.0306 -148578.2848 300.3583 -74.7374 -39.0470 559979.5141 -7.8566 -7.8663 PRESSURE: 4202400 46.6879 26.553 -60.4941 26.5539 -129.363 237.042 -60.4945 237.042 -52.9246 GPRESSURE: 4202400 67.5544 -10.0584 -143.968 46.0839 -124.902 168.687 -32.9136 248.272 6.04868 PRESSAVG: 4202400 10.0238 -2.65533 -1.02398 -2.65531 -36.9498 -59.6734 -1.024 -59.6734 19.1548 GPRESSAVG: 4202400 10.9316 -1.03398 1.74942 -2.15708 -37.8926 -61.2563 -2.2588 -59.1442 19.6226 TIMING: 4202400 CPU: 12212, 0.00288965/step Wall: 12212, 0.00288965/step, 0.640218 hours remaining, 208.332031 MB of memory in use. ENERGY: 4202400 749.0447 2108.5081 1930.8301 106.7953 -205840.2715 17808.1644 0.0000 0.0000 34325.8612 -148811.0677 299.7763 -183136.9288 -148712.6682 299.9521 -45.2000 -17.0998 559593.5219 -2.5904 -2.4461 PRESSURE: 4202600 -54.6262 154.293 73.3382 154.295 -391.406 56.2778 73.3386 56.277 -261.254 GPRESSURE: 4202600 -71.5885 147.088 -5.63482 160.692 -307.414 -49.9365 100.015 40.7096 -241.678 PRESSAVG: 4202600 8.07027 -34.2577 34.2597 -34.2577 -14.7099 -12.2336 34.2597 -12.2337 10.383 GPRESSAVG: 4202600 6.91515 -34.8826 34.0795 -34.8661 -13.6115 -12.1144 34.5269 -11.785 10.7193 TIMING: 4202600 CPU: 12212.6, 0.00292231/step Wall: 12212.6, 0.00292231/step, 0.647292 hours remaining, 208.332031 MB of memory in use. ENERGY: 4202600 729.1956 2162.7247 1958.9441 111.7903 -205620.3633 17459.6693 0.0000 0.0000 34343.7979 -148854.2414 299.9329 -183198.0393 -148753.2129 299.9572 -235.7622 -206.8936 560622.8037 1.2478 1.3410 PRESSURE: 4202800 -317.408 46.6186 107.779 46.6172 -134.375 17.5284 107.78 17.5284 -111.674 GPRESSURE: 4202800 -285.594 -30.1707 125.992 8.1645 -140.572 -40.6504 136.63 65.0206 -41.2911 PRESSAVG: 4202800 -9.09159 -4.22975 27.3895 -4.22972 -33.7784 -90.0268 27.3895 -90.0268 57.2378 GPRESSAVG: 4202800 -8.13146 -3.20409 25.0028 -4.02412 -35.6241 -88.8225 29.5813 -90.3063 57.6304 TIMING: 4202800 CPU: 12213.2, 0.00291549/step Wall: 12213.2, 0.00291549/step, 0.645619 hours remaining, 208.332031 MB of memory in use. ENERGY: 4202800 756.1948 2143.0733 1948.9743 128.0868 -205960.9283 17774.5995 0.0000 0.0000 34316.6383 -148893.3613 299.6957 -183209.9996 -148807.5357 300.0724 -187.8191 -155.8191 559533.7440 4.7893 4.6250 PRESSURE: 4203000 -522.573 -75.0105 -2.46515 -75.0103 -149.67 71.4402 -2.46506 71.4403 -137.699 GPRESSURE: 4203000 -500.922 -105.818 -50.7553 -66.5011 -108.857 109.633 17.4193 0.82774 -103.583 PRESSAVG: 4203000 -30.2983 -30.3326 35.4662 -30.3326 54.2784 65.6037 35.4662 65.6038 -15.1835 GPRESSAVG: 4203000 -30.9918 -32.5292 36.5978 -31.3925 55.3373 65.4715 34.6239 63.5965 -15.528 TIMING: 4203000 CPU: 12213.8, 0.00291141/step Wall: 12213.8, 0.00291141/step, 0.644554 hours remaining, 208.332031 MB of memory in use. ENERGY: 4203000 769.6740 2112.5603 1959.7950 112.6188 -205802.9958 17454.5789 0.0000 0.0000 34352.8486 -149040.9202 300.0120 -183393.7687 -148938.8156 300.0987 -269.9806 -237.7873 557389.9291 2.9322 2.9391 PRESSURE: 4203200 -48.2406 181.46 32.5114 181.46 -297.083 -39.1547 32.5114 -39.1543 70.3889 GPRESSURE: 4203200 41.4768 193.201 105.02 129.012 -296.321 -40.3184 -35.8516 8.95088 72.5115 PRESSAVG: 4203200 26.8954 -18.4443 11.2078 -18.4443 -43.0574 9.76607 11.2077 9.76613 15.7441 GPRESSAVG: 4203200 27.0613 -17.3912 10.8102 -18.6548 -43.727 9.47049 11.0748 11.198 16.42 TIMING: 4203200 CPU: 12214.3, 0.00290336/step Wall: 12214.3, 0.00290336/step, 0.642611 hours remaining, 208.332031 MB of memory in use. ENERGY: 4203200 708.5612 2087.9191 1962.9345 110.1241 -205789.6258 17719.3454 0.0000 0.0000 34271.0704 -148929.6711 299.2978 -183200.7415 -148837.2401 300.2804 -91.6451 -60.7775 557597.2450 -0.1393 -0.0819 PRESSURE: 4203400 -18.9861 -116.454 336.647 -116.454 134.294 -83.588 336.645 -83.588 21.4668 GPRESSURE: 4203400 27.4964 -97.7053 259.018 -69.1928 151.809 -95.1887 324.559 -59.0123 55.1716 PRESSAVG: 4203400 4.70104 -2.49032 83.3701 -2.49034 -18.2756 -1.13621 83.37 -1.13615 -6.56318 GPRESSAVG: 4203400 3.78484 -0.544758 85.6833 -2.26846 -17.4323 -0.494199 82.2779 -2.24778 -5.98529 TIMING: 4203400 CPU: 12214.9, 0.00291076/step Wall: 12214.9, 0.00291076/step, 0.644087 hours remaining, 208.332031 MB of memory in use. ENERGY: 4203400 739.4689 2142.3209 1934.9222 98.2734 -206013.0316 17845.8398 0.0000 0.0000 34357.2115 -148894.9949 300.0501 -183252.2065 -148801.4250 300.0224 45.5916 78.1591 557792.7005 -6.7126 -6.5443 PRESSURE: 4203600 -234.371 -91.6921 -46.9031 -91.6924 -247.62 79.768 -46.9046 79.7695 -359.085 GPRESSURE: 4203600 -182.524 -200.677 -44.4662 -38.836 -217.059 86.9686 -30.1406 42.4811 -336.727 PRESSAVG: 4203600 23.8833 -1.81633 34.7683 -1.81634 48.1882 -33.9613 34.7682 -33.9613 -39.44 GPRESSAVG: 4203600 23.2455 -3.42923 32.7153 -2.21715 48.4081 -35.0135 36.4386 -32.9124 -38.6013 TIMING: 4203600 CPU: 12215.5, 0.00290926/step Wall: 12215.5, 0.00290926/step, 0.643592 hours remaining, 208.332031 MB of memory in use. ENERGY: 4203600 744.3319 2022.9145 1974.4160 112.8810 -205375.2206 17243.4655 0.0000 0.0000 34382.7242 -148894.4875 300.2729 -183277.2117 -148795.0629 299.4763 -280.3588 -245.4367 559051.4703 10.8772 11.0174 PRESSURE: 4203800 -133.801 -144.26 24.9063 -144.26 37.3681 -39.8538 24.9057 -39.8549 -162.904 GPRESSURE: 4203800 -58.3447 -214.302 12.363 -87.6362 11.4611 -54.3136 96.0677 18.3097 -126.677 PRESSAVG: 4203800 -21.801 4.63421 -39.6608 4.63415 25.5483 10.9976 -39.6608 10.9976 5.49903 GPRESSAVG: 4203800 -22.382 2.79243 -38.1977 6.52617 25.4457 10.4392 -41.1242 12.0187 6.07076 TIMING: 4203800 CPU: 12216.1, 0.00290827/step Wall: 12216.1, 0.00290827/step, 0.643212 hours remaining, 208.332031 MB of memory in use. ENERGY: 4203800 738.7743 2085.9973 1940.9751 130.3501 -205993.3703 17628.2815 0.0000 0.0000 34634.2343 -148834.7575 302.4694 -183468.9918 -148740.3740 299.8245 -86.4456 -57.8536 558703.5138 3.0821 3.0448 PRESSURE: 4204000 -66.4483 57.56 156.531 57.5594 -168.904 129.736 156.533 129.737 -125.396 GPRESSURE: 4204000 -66.8647 2.65783 88.8086 111.937 -107.987 45.7894 162.639 125.749 -81.915 PRESSAVG: 4204000 44.0209 -32.6959 53.555 -32.6959 -6.56704 1.20281 53.555 1.2027 -13.2127 GPRESSAVG: 4204000 44.2222 -30.289 53.1416 -32.5788 -6.8095 2.23161 53.0755 -2.84452 -13.4358 TIMING: 4204000 CPU: 12216.7, 0.00290789/step Wall: 12216.7, 0.00290789/step, 0.642966 hours remaining, 208.332031 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: 4204000 751.9377 2093.1809 1965.8842 114.4724 -205658.3817 17563.4930 0.0000 0.0000 34371.7959 -148797.6175 300.1774 -183169.4134 -148694.1568 300.6554 -120.2496 -85.5889 558642.7851 8.0804 7.9923 PRESSURE: 4204200 -342.514 -57.3349 -146.859 -57.3357 -95.2123 24.2527 -146.858 24.252 -202.061 GPRESSURE: 4204200 -278.528 -111.549 -75.8421 26.0375 -94.4205 115.68 -165.211 15.7547 -176.377 PRESSAVG: 4204200 34.7632 -45.5274 23.951 -45.5274 -26.1317 12.2112 23.951 12.2112 -55.5392 GPRESSAVG: 4204200 35.7369 -47.1019 23.439 -45.8565 -26.3193 13.7273 26.4701 13.2953 -55.8048 TIMING: 4204200 CPU: 12217.2, 0.00290417/step Wall: 12217.2, 0.00290417/step, 0.641984 hours remaining, 208.332031 MB of memory in use. ENERGY: 4204200 765.1301 2094.9356 1944.6750 110.3006 -205495.7479 17502.5366 0.0000 0.0000 34418.9119 -148659.2582 300.5889 -183078.1701 -148565.4452 299.6552 -213.2624 -183.1083 559991.1522 -15.6359 -15.4624 LDB: ============= START OF LOAD BALANCING ============== 12220.7 LDB: ============== END OF LOAD BALANCING =============== 12220.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12220.7 LDB: ============= START OF LOAD BALANCING ============== 12221 LDB: Largest compute 4849 load 0.027803 is 23.6% of average load 0.117724 LDB: Average compute 0.001741 is 1.5% of average load 0.117724 LDB: TIME 12221 LOAD: AVG 0.117724 MAX 0.179519 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12221 LOAD: AVG 0.117724 MAX 0.179519 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 12221 LOAD: AVG 0.117724 MAX 0.179519 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12221 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12221 PRESSURE: 4204400 72.2044 -4.91057 -134.371 -4.91037 50.7371 21.5907 -134.371 21.5895 -208.423 GPRESSURE: 4204400 33.6365 -38.4636 -132.459 18.6632 125.933 -14.5194 -151.392 -8.47033 -168.207 PRESSAVG: 4204400 52.1507 55.3915 -29.3943 55.3915 6.54189 13.4859 -29.3942 13.4858 -37.7805 GPRESSAVG: 4204400 51.7962 55.9849 -28.3096 55.909 7.01659 12.292 -32.1465 16.9043 -37.9142 TIMING: 4204400 CPU: 12217.8, 0.00296268/step Wall: 12217.8, 0.00296268/step, 0.654753 hours remaining, 208.320312 MB of memory in use. ENERGY: 4204400 712.9830 2072.8754 1967.6934 114.5504 -205790.4578 17681.6134 0.0000 0.0000 34473.7875 -148766.9546 301.0682 -183240.7421 -148664.7959 300.9926 -28.4938 -2.8793 557186.3290 6.9707 6.9662 PRESSURE: 4204600 253.224 -202.189 32.8979 -202.19 -254.121 -24.4499 32.8961 -24.4508 -304.164 GPRESSURE: 4204600 256.825 -167.636 33.5571 -283.219 -199.377 28.7066 15.8461 -8.19942 -264.685 PRESSAVG: 4204600 66.2484 -20.5442 16.8389 -20.5443 -22.9907 2.92344 16.8389 2.92346 -55.6627 GPRESSAVG: 4204600 66.979 -19.5558 18.1058 -22.6151 -23.3995 2.26894 16.4406 0.675335 -56.0383 TIMING: 4204600 CPU: 12218.4, 0.00289817/step Wall: 12218.4, 0.00289817/step, 0.640335 hours remaining, 208.332031 MB of memory in use. ENERGY: 4204600 746.0113 2116.8336 1954.4672 116.5590 -205873.1193 17572.1096 0.0000 0.0000 34464.1059 -148903.0328 300.9836 -183367.1387 -148800.7996 300.8002 -101.6870 -69.0791 557290.7074 -4.1350 -4.1529 PRESSURE: 4204800 -240.367 20.4902 15.6505 20.4898 -262.406 -143.917 15.6493 -143.917 -6.7164 GPRESSURE: 4204800 -277.126 -10.6339 31.4609 16.8022 -154.676 -152.967 -13.7563 -107.883 26.8344 PRESSAVG: 4204800 12.8428 -4.31195 -6.08671 -4.31184 -48.7789 68.8711 -6.08665 68.8712 37.4188 GPRESSAVG: 4204800 13.8125 -5.38224 -8.85159 -4.05627 -49.8413 71.0305 -5.48176 68.8954 37.4468 TIMING: 4204800 CPU: 12219, 0.0028927/step Wall: 12219, 0.0028927/step, 0.638965 hours remaining, 208.402344 MB of memory in use. ENERGY: 4204800 765.4920 2057.3832 1971.7948 117.7383 -206216.6568 17829.0522 0.0000 0.0000 34455.1645 -149020.0318 300.9055 -183475.1964 -148920.8372 300.5478 -169.8298 -134.9892 558849.9586 0.4942 0.4727 PRESSURE: 4205000 137.758 -87.9195 232.903 -87.9198 -56.4447 27.6741 232.903 27.6761 139.325 GPRESSURE: 4205000 152.947 -105.569 180.277 -42.9352 -40.0323 -29.1372 171.895 30.4934 211.059 PRESSAVG: 4205000 52.5307 19.896 51.141 19.896 -73.8701 61.0657 51.1409 61.0656 5.41579 GPRESSAVG: 4205000 51.2053 21.1352 51.2337 18.6114 -71.5845 59.4929 53.7171 61.1216 4.19849 TIMING: 4205000 CPU: 12219.6, 0.00288631/step Wall: 12219.6, 0.00288631/step, 0.637394 hours remaining, 208.402344 MB of memory in use. ENERGY: 4205000 758.4832 2057.9442 1958.3292 109.2338 -206066.0065 17927.3281 0.0000 0.0000 34251.9856 -149002.7025 299.1311 -183254.6881 -148914.7916 299.9328 73.5460 107.9910 558136.2821 -5.3079 -5.3936 PRESSURE: 4205200 -133.354 -82.9171 119.525 -82.9171 116.952 41.5438 119.525 41.5429 -132.56 GPRESSURE: 4205200 -99.0102 -34.6565 107.855 -133.366 174.073 23.9231 194.197 14.3688 -115.003 PRESSAVG: 4205200 -4.49456 10.9857 41.8383 10.9859 -20.8847 24.4052 41.8382 24.4051 -38.0127 GPRESSAVG: 4205200 -4.74822 10.5885 43.255 12.4797 -21.8477 24.1525 39.9624 24.7973 -36.8909 TIMING: 4205200 CPU: 12220.2, 0.00292642/step Wall: 12220.2, 0.00292642/step, 0.646089 hours remaining, 208.402344 MB of memory in use. ENERGY: 4205200 721.8062 2115.0077 1943.0338 111.6425 -205683.2927 17625.3030 0.0000 0.0000 34182.3454 -148984.1540 298.5229 -183166.4994 -148886.9775 299.3914 -49.6541 -13.3135 558325.0574 -21.1307 -21.1623 PRESSURE: 4205400 105.272 -99.702 79.9045 -99.7018 35.9753 136.603 79.9042 136.605 74.3515 GPRESSURE: 4205400 115.945 -121.956 26.7671 -80.3997 81.2728 114.473 131.208 127.715 103.146 PRESSAVG: 4205400 54.8553 -3.65331 48.3603 -3.65337 -2.40404 64.0173 48.3603 64.0173 -40.3607 GPRESSAVG: 4205400 55.2458 -2.92822 49.2429 -4.51795 -1.82999 63.0684 46.8072 64.9261 -41.2686 TIMING: 4205400 CPU: 12220.7, 0.00288696/step Wall: 12220.7, 0.00288696/step, 0.637216 hours remaining, 208.402344 MB of memory in use. ENERGY: 4205400 730.0523 2095.4301 1948.7882 112.8831 -205902.4219 17829.7351 0.0000 0.0000 34199.9125 -148985.6206 298.6763 -183185.5331 -148888.0606 300.2409 71.8663 100.1212 558600.7509 4.0302 4.0491 PRESSURE: 4205600 -341.756 -32.5881 -17.8785 -32.5878 -179.08 181.361 -17.8782 181.36 -179.875 GPRESSURE: 4205600 -305.28 -82.775 19.7788 -15.1606 -98.9566 85.4488 1.78782 221.178 -200.61 PRESSAVG: 4205600 9.34951 -28.6375 27.7745 -28.6376 -2.68344 29.2668 27.7745 29.2667 10.3872 GPRESSAVG: 4205600 10.1582 -29.7354 24.4937 -27.7696 -2.72856 29.2561 30.6061 27.8061 9.73535 TIMING: 4205600 CPU: 12221.3, 0.00290262/step Wall: 12221.3, 0.00290262/step, 0.640511 hours remaining, 208.402344 MB of memory in use. ENERGY: 4205600 746.8846 2172.2951 1934.2668 109.3578 -205848.2334 17546.2528 0.0000 0.0000 34301.9431 -149037.2332 299.5674 -183339.1763 -148941.3289 299.4962 -233.5704 -201.6154 558758.8326 5.6844 5.7217 PRESSURE: 4205800 -45.3948 4.49251 -4.94615 4.4939 12.3495 85.5656 -4.946 85.566 -69.6591 GPRESSURE: 4205800 -47.632 35.5342 -8.22693 33.4858 6.88422 134.149 42.2262 50.8926 44.9878 PRESSAVG: 4205800 -76.9299 15.9873 -12.7101 15.9873 36.0773 44.6853 -12.7101 44.6851 -1.00737 GPRESSAVG: 4205800 -76.5024 16.2953 -10.8019 14.0735 35.3362 43.247 -12.7416 47.9867 -0.785903 TIMING: 4205800 CPU: 12221.9, 0.00290483/step Wall: 12221.9, 0.00290483/step, 0.640837 hours remaining, 208.402344 MB of memory in use. ENERGY: 4205800 757.6639 2106.3648 1955.0066 111.7250 -206221.0357 17824.7082 0.0000 0.0000 34385.2257 -149080.3416 300.2947 -183465.5672 -148987.1005 299.4370 -34.2348 1.4133 556892.2142 -13.9533 -13.9840 PRESSURE: 4206000 -161.842 32.882 -28.0998 32.8826 -164.767 76.8949 -28.0995 76.895 50.7876 GPRESSURE: 4206000 -67.5828 -14.4698 10.7247 -3.06414 -188.74 109.107 -68.2615 28.813 80.4503 PRESSAVG: 4206000 23.5816 24.7077 -4.75398 24.7078 9.16716 15.1392 -4.75398 15.1391 17.9478 GPRESSAVG: 4206000 22.5702 23.8379 -6.00472 25.0428 9.19555 17.171 -5.93034 12.431 19.0546 TIMING: 4206000 CPU: 12222.5, 0.0029057/step Wall: 12222.5, 0.0029057/step, 0.640868 hours remaining, 208.402344 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: 4206000 756.9712 2108.7617 1926.1891 122.2130 -205911.6114 17586.8946 0.0000 0.0000 34319.9622 -149090.6196 299.7248 -183410.5818 -148997.8127 299.1958 -91.9404 -58.6243 557257.2844 16.8989 16.9401 PRESSURE: 4206200 -88.1194 88.4705 -150.664 88.47 -155.62 34.2467 -150.664 34.2474 -218.51 GPRESSURE: 4206200 -47.2191 75.5294 -123.698 151.918 -155.845 -44.9236 -206.503 14.5586 -174.951 PRESSAVG: 4206200 16.7836 -20.1017 -35.5444 -20.1017 -12.4915 35.8426 -35.5444 35.8425 -4.07752 GPRESSAVG: 4206200 17.349 -19.9155 -34.905 -18.7478 -11.7409 35.5502 -35.8811 35.317 -4.94244 TIMING: 4206200 CPU: 12223.1, 0.00291796/step Wall: 12223.1, 0.00291796/step, 0.643411 hours remaining, 208.402344 MB of memory in use. ENERGY: 4206200 757.8136 2066.6179 1963.9179 117.6702 -206025.2433 17700.4417 0.0000 0.0000 34263.9164 -149154.8655 299.2353 -183418.7819 -149056.8914 299.8373 -154.0833 -126.0048 558718.8504 0.0715 0.2219 PRESSURE: 4206400 -53.4152 -133.279 103.416 -133.28 -71.334 80.5269 103.416 80.5293 -62.7212 GPRESSURE: 4206400 7.50265 -105.783 90.6797 -129.823 -54.9386 121.948 161.81 72.6977 -40.8736 PRESSAVG: 4206400 43.4392 41.211 -5.65746 41.2109 -7.2712 37.1328 -5.65749 37.1327 -24.7969 GPRESSAVG: 4206400 43.8262 41.2079 -4.30437 42.6157 -8.11518 36.5184 -5.22532 38.2458 -24.3498 TIMING: 4206400 CPU: 12223.6, 0.00290976/step Wall: 12223.6, 0.00290976/step, 0.641441 hours remaining, 208.402344 MB of memory in use. ENERGY: 4206400 740.5424 2134.1559 1969.1449 104.4424 -206231.9222 17652.6615 0.0000 0.0000 34445.3417 -149185.6335 300.8197 -183630.9751 -149084.7205 299.7001 -62.4901 -29.4365 558133.0731 3.7904 3.7871 PRESSURE: 4206600 -203.6 -13.7185 2.65378 -13.718 -246.341 63.8832 2.65349 63.884 -40.7711 GPRESSURE: 4206600 -141.806 10.1852 84.4625 12.7801 -163.921 62.4275 -115.179 34.7607 -88.2679 PRESSAVG: 4206600 31.4181 -8.93489 -30.2018 -8.93486 -6.09973 5.64844 -30.2017 5.64841 -26.6494 GPRESSAVG: 4206600 31.2657 -8.53104 -31.419 -11.0114 -6.91625 4.41688 -29.4834 5.65769 -26.0887 TIMING: 4206600 CPU: 12224.2, 0.0028871/step Wall: 12224.2, 0.0028871/step, 0.636286 hours remaining, 208.402344 MB of memory in use. ENERGY: 4206600 694.8759 2089.1609 1951.0229 111.5061 -205908.5532 17531.8111 0.0000 0.0000 34295.3135 -149234.8628 299.5095 -183530.1763 -149134.9721 299.5478 -163.5706 -131.3316 558300.4804 -0.4437 -0.5797 PRESSURE: 4206800 -66.0032 6.80694 -197.948 6.80819 -36.5065 143.668 -197.949 143.668 -88.6398 GPRESSURE: 4206800 -63.4483 -15.9257 -191.699 -34.0353 -16.593 138.747 -206.63 106.129 -12.4358 PRESSAVG: 4206800 21.5968 0.121067 -12.7106 0.121049 -34.3563 17.5225 -12.7107 17.5224 -0.738637 GPRESSAVG: 4206800 20.5399 -0.0299742 -12.1107 -0.374977 -32.9236 19.6826 -12.8864 15.6045 -1.96839 TIMING: 4206800 CPU: 12224.8, 0.00287994/step Wall: 12224.8, 0.00287994/step, 0.634546 hours remaining, 208.402344 MB of memory in use. ENERGY: 4206800 736.8777 2066.3285 1963.0599 112.8347 -206209.3077 17721.2415 0.0000 0.0000 34338.7576 -149270.2078 299.8889 -183608.9654 -149171.0905 299.0642 -63.7165 -30.8257 557817.0258 -4.4994 -4.7840 PRESSURE: 4207000 0.884181 50.4363 -60.6255 50.4363 -220.768 -71.2435 -60.6253 -71.2439 -132.138 GPRESSURE: 4207000 10.8909 24.3764 4.07525 29.7916 -180.059 -74.0333 -54.4243 -29.0566 -75.0788 PRESSAVG: 4207000 22.9496 -20.6397 -27.4249 -20.6397 -54.6923 17.5848 -27.4248 17.5848 53.6214 GPRESSAVG: 4207000 21.4547 -20.1631 -28.1106 -22.881 -55.0132 17.7643 -27.9479 18.7775 55.3171 TIMING: 4207000 CPU: 12225.4, 0.00290723/step Wall: 12225.4, 0.00290723/step, 0.640398 hours remaining, 208.402344 MB of memory in use. ENERGY: 4207000 756.1200 2125.8283 1963.9008 116.3756 -205881.0078 17638.5377 0.0000 0.0000 34176.7215 -149103.5239 298.4738 -183280.2454 -149000.6984 299.4162 -117.3407 -81.4156 558057.3330 7.2929 7.2529 PRESSURE: 4207200 34.8928 46.0535 114.785 46.052 244.795 73.3673 114.786 73.3672 -27.5976 GPRESSURE: 4207200 87.7649 16.5938 76.2089 159.669 253.729 81.5209 54.9659 -8.39758 -7.99981 PRESSAVG: 4207200 55.3224 -17.3998 -34.9123 -17.3999 -14.0073 2.01755 -34.9123 2.0176 -11.574 GPRESSAVG: 4207200 57.2269 -19.2093 -35.1016 -14.3997 -13.9911 2.71547 -33.8695 0.215901 -13.4764 TIMING: 4207200 CPU: 12226, 0.00291048/step Wall: 12226, 0.00291048/step, 0.640953 hours remaining, 208.402344 MB of memory in use. ENERGY: 4207200 747.7315 2106.8599 1965.0172 120.4322 -206366.7240 18008.9055 0.0000 0.0000 34416.8024 -149000.9753 300.5705 -183417.7777 -148899.7298 299.3402 84.0301 111.1647 556754.4751 9.9137 9.9198 PRESSURE: 4207400 112.804 84.9396 164.836 84.9404 -173.997 -41.8419 164.837 -41.8429 68.0508 GPRESSURE: 4207400 86.9797 95.4848 72.7637 89.7367 -124.941 -74.1697 215.725 -96.2503 137.491 PRESSAVG: 4207400 -28.6498 -34.3939 -8.71983 -34.3939 23.4718 16.7091 -8.71978 16.7091 44.2428 GPRESSAVG: 4207400 -29.298 -34.3674 -10.796 -35.8389 23.2048 15.9622 -10.0067 17.8283 45.5457 TIMING: 4207400 CPU: 12226.5, 0.0028992/step Wall: 12226.5, 0.0028992/step, 0.638307 hours remaining, 208.402344 MB of memory in use. ENERGY: 4207400 759.9264 2072.6842 1957.6295 120.7427 -206247.7829 17905.1750 0.0000 0.0000 34293.5152 -149138.1099 299.4938 -183431.6251 -149033.8392 299.1418 2.2860 33.1768 558425.4083 13.0216 13.1508 PRESSURE: 4207600 -344.658 54.4308 -113.222 54.4285 -183.815 -95.6796 -113.222 -95.6804 -140.424 GPRESSURE: 4207600 -321.573 119.826 -73.7582 47.2671 -133.58 -122.656 -148.159 -169.287 -109.307 PRESSAVG: 4207600 10.0401 -43.9859 68.7903 -43.9859 -51.7723 2.51777 68.7903 2.51773 78.2444 GPRESSAVG: 4207600 11.1495 -43.6631 71.2026 -45.0538 -50.9957 1.58337 69.3142 3.45201 75.9244 TIMING: 4207600 CPU: 12227.1, 0.00288118/step Wall: 12227.1, 0.00288118/step, 0.63418 hours remaining, 208.402344 MB of memory in use. ENERGY: 4207600 756.7880 2035.2738 1936.0332 109.5966 -205980.6205 17650.0322 0.0000 0.0000 34354.1314 -149138.7653 300.0232 -183492.8967 -149042.8397 299.5852 -222.9659 -188.1533 560865.1207 12.1707 12.0261 PRESSURE: 4207800 -190.803 27.7259 16.3876 27.7275 -97.3761 14.1898 16.3888 14.1912 89.7135 GPRESSURE: 4207800 -163.28 30.7741 -24.7161 -18.8939 -31.756 63.039 104 -31.8647 101.73 PRESSAVG: 4207800 4.85049 28.3218 1.02103 28.3217 -39.0123 -6.71852 1.02108 -6.71845 4.97663 GPRESSAVG: 4207800 3.65353 28.371 1.40403 29.6034 -40.0158 -8.58744 2.17338 -7.06522 7.16699 TIMING: 4207800 CPU: 12227.7, 0.00290732/step Wall: 12227.7, 0.00290732/step, 0.639772 hours remaining, 208.402344 MB of memory in use. ENERGY: 4207800 760.1811 2103.2758 1940.8395 103.6152 -205920.8153 17705.2332 0.0000 0.0000 34302.6782 -149004.9922 299.5738 -183307.6705 -148909.3879 299.0694 -66.1553 -31.1018 558911.9567 -9.7284 -9.7318 PRESSURE: 4208000 281.828 15.4492 82.1582 15.4491 78.4426 9.07442 82.1586 9.07517 -11.3727 GPRESSURE: 4208000 232.021 48.3851 11.6236 35.8602 134.284 63.0174 115.861 -25.0693 64.8545 PRESSAVG: 4208000 10.2194 -23.4556 29.714 -23.4557 4.63885 16.8033 29.7141 16.8034 10.8761 GPRESSAVG: 4208000 11.1056 -20.561 29.5591 -25.2531 4.97351 19.4661 29.8801 15.9167 10.158 TIMING: 4208000 CPU: 12228.3, 0.00289581/step Wall: 12228.3, 0.00289581/step, 0.637077 hours remaining, 208.605469 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: 4208000 723.0538 2144.5906 1951.5073 123.9193 -206124.9577 18006.0613 0.0000 0.0000 34437.8120 -148738.0135 300.7540 -183175.8255 -148644.4099 300.5142 116.2994 143.7199 558497.2333 8.5781 8.7457 PRESSURE: 4208200 275.538 -100.359 192.537 -100.359 42.6946 100.706 192.535 100.705 114.026 GPRESSURE: 4208200 290.598 -70.5511 128.923 -157.812 92.8953 82.4746 137.626 138.511 153.823 PRESSAVG: 4208200 -10.7849 -15.7545 13.8718 -15.7545 16.849 22.4974 13.8718 22.4974 -17.7985 GPRESSAVG: 4208200 -11.3747 -18.4304 13.2195 -13.9205 16.4024 24.9185 13.7448 22.5331 -17.2246 TIMING: 4208200 CPU: 12228.9, 0.00289464/step Wall: 12228.9, 0.00289464/step, 0.63666 hours remaining, 208.605469 MB of memory in use. ENERGY: 4208200 727.7371 2099.2070 1959.0409 122.4503 -206001.3558 17754.6532 0.0000 0.0000 34530.1760 -148808.0914 301.5606 -183338.2673 -148713.1353 299.9576 144.0863 179.1055 557139.9565 -3.9115 -4.0657 LDB: ============= START OF LOAD BALANCING ============== 12232.3 LDB: ============== END OF LOAD BALANCING =============== 12232.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12232.3 LDB: ============= START OF LOAD BALANCING ============== 12232.6 LDB: Largest compute 4849 load 0.028345 is 24.1% of average load 0.117617 LDB: Average compute 0.001746 is 1.5% of average load 0.117617 LDB: TIME 12232.6 LOAD: AVG 0.117617 MAX 0.177653 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 12232.6 LOAD: AVG 0.117617 MAX 0.177653 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.848 MB LDB: TIME 12232.6 LOAD: AVG 0.117617 MAX 0.177653 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.848 MB LDB: ============== END OF LOAD BALANCING =============== 12232.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12232.6 PRESSURE: 4208400 -142.689 95.2024 -54.8802 95.2032 242.559 96.7627 -54.8798 96.7645 91.5034 GPRESSURE: 4208400 -44.553 79.9318 -86.6904 155.152 248.955 43.5966 -67.2708 196.182 87.9305 PRESSAVG: 4208400 -12.9971 13.6695 24.1715 13.6696 37.76 36.7513 24.1716 36.7514 26.7034 GPRESSAVG: 4208400 -13.2606 14.3989 24.4694 13.6268 38.5299 34.0144 22.8031 38.6903 26.178 TIMING: 4208400 CPU: 12229.4, 0.00296249/step Wall: 12229.4, 0.00296249/step, 0.651419 hours remaining, 208.125000 MB of memory in use. ENERGY: 4208400 786.5590 2129.8929 1960.2759 114.0296 -206240.1715 17997.2533 0.0000 0.0000 34573.5772 -148678.5837 301.9396 -183252.1609 -148580.5907 300.6002 63.7912 97.4441 557764.9631 17.1554 17.1491 PRESSURE: 4208600 29.464 123.921 -162.367 123.921 -223.498 -75.0113 -162.368 -75.0126 -24.1319 GPRESSURE: 4208600 -0.306793 65.1813 -98.9894 164.093 -111.708 -96.0684 -136.923 -81.266 -4.29151 PRESSAVG: 4208600 3.40685 -13.8988 0.239901 -13.8988 23.1872 -8.39412 0.239928 -8.3942 8.5943 GPRESSAVG: 4208600 3.86207 -14.7515 1.04488 -13.8375 22.1777 -7.45011 -1.45731 -8.61867 9.36513 TIMING: 4208600 CPU: 12230, 0.00291903/step Wall: 12230, 0.00291903/step, 0.641699 hours remaining, 208.398438 MB of memory in use. ENERGY: 4208600 757.4050 2101.2002 1967.1037 112.3503 -205570.6617 17404.6414 0.0000 0.0000 34183.7549 -149044.2062 298.5352 -183227.9611 -148943.0984 300.1602 -72.7220 -38.7687 556125.3058 11.7294 11.8016 PRESSURE: 4208800 327.291 -28.1921 48.4784 -28.1917 280.159 -30.1285 48.4791 -30.1294 250.244 GPRESSURE: 4208800 328.42 -37.6515 86.8997 17.2665 320.988 -69.1615 111.404 -59.8503 300.639 PRESSAVG: 4208800 -23.9974 -10.7793 -39.2701 -10.7792 -5.48888 -0.695631 -39.2702 -0.695712 -15.9578 GPRESSAVG: 4208800 -23.3999 -10.3629 -41.4109 -9.08649 -4.37861 -0.072795 -36.611 -1.95543 -17.5966 TIMING: 4208800 CPU: 12230.6, 0.00291056/step Wall: 12230.6, 0.00291056/step, 0.639677 hours remaining, 208.398438 MB of memory in use. ENERGY: 4208800 737.6537 2075.3998 1925.4171 114.0507 -206276.8651 18090.2172 0.0000 0.0000 34362.6378 -148971.4888 300.0975 -183334.1266 -148875.7274 299.3964 285.8978 316.6826 556064.7218 -15.1480 -15.1250 PRESSURE: 4209000 -51.2298 -34.24 -5.71319 -34.2394 -117.39 5.50269 -5.71206 5.50474 -11.2965 GPRESSURE: 4209000 16.9237 -108.997 92.78 40.5526 -111.571 3.506 -82.4174 32.3756 12.433 PRESSAVG: 4209000 -27.525 -26.2772 19.4119 -26.2771 2.19503 17.9403 19.412 17.9403 27.1616 GPRESSAVG: 4209000 -28.6277 -26.8087 21.1557 -27.054 2.00626 19.5175 18.0326 17.3329 28.3078 TIMING: 4209000 CPU: 12231.2, 0.00289891/step Wall: 12231.2, 0.00289891/step, 0.636955 hours remaining, 208.601562 MB of memory in use. ENERGY: 4209000 750.8803 2101.0016 1958.0368 130.2451 -206045.0592 17712.1237 0.0000 0.0000 34458.4106 -148934.3610 300.9339 -183392.7716 -148839.4224 299.5493 -59.9719 -27.4046 558034.2552 0.6105 0.5621 PRESSURE: 4209200 -201.889 -226.944 -75.4611 -226.944 -194.356 2.7688 -75.46 2.76728 -257.147 GPRESSURE: 4209200 -132.649 -188.541 -83.3052 -265.512 -171.233 102.553 0.647009 78.8674 -247.936 PRESSAVG: 4209200 6.7004 -6.3229 19.5091 -6.32289 -10.5741 10.8993 19.5091 10.8993 -11.4018 GPRESSAVG: 4209200 7.42042 -6.41495 20.2927 -5.28432 -10.5425 8.63282 18.7643 12.2519 -11.4778 TIMING: 4209200 CPU: 12231.8, 0.00291482/step Wall: 12231.8, 0.00291482/step, 0.640289 hours remaining, 208.601562 MB of memory in use. ENERGY: 4209200 791.0733 2071.3766 1941.0556 111.9512 -205740.0528 17535.9820 0.0000 0.0000 34421.4543 -148867.1598 300.6111 -183288.6141 -148778.0872 300.3950 -217.7973 -183.9396 558619.8552 -5.0919 -4.8666 PRESSURE: 4209400 290.431 -36.4579 73.2198 -36.4577 255.783 49.6895 73.2184 49.6887 -244.787 GPRESSURE: 4209400 339.354 -90.8311 54.2588 23.3879 282.926 -12.7243 -5.2795 67.3614 -217.403 PRESSAVG: 4209400 -27.8912 -10.043 19.7655 -10.0429 48.2321 11.6654 19.7655 11.6654 -12.2297 GPRESSAVG: 4209400 -28.1704 -9.1995 19.3571 -11.073 48.9517 13.0169 21.6145 11.9395 -12.9291 TIMING: 4209400 CPU: 12232.4, 0.00289476/step Wall: 12232.4, 0.00289476/step, 0.635721 hours remaining, 208.601562 MB of memory in use. ENERGY: 4209400 742.2965 2116.0624 1954.9587 110.0032 -205731.9932 17792.7755 0.0000 0.0000 34168.9326 -148846.9645 298.4058 -183015.8971 -148743.8686 300.1164 100.4755 134.9591 557489.4029 2.7038 2.6174 PRESSURE: 4209600 139.39 89.1871 14.4727 89.1878 76.6877 -87.4921 14.4729 -87.4914 84.7917 GPRESSURE: 4209600 176.145 87.7973 -26.1041 2.69119 129.859 -24.2519 -58.1072 -133.468 91.1649 PRESSAVG: 4209600 -7.32867 23.1272 32.1013 23.1272 23.3455 11.4109 32.1012 11.4111 -56.2028 GPRESSAVG: 4209600 -7.00682 24.3807 31.5326 21.8132 22.5486 10.7166 31.5044 12.7198 -55.494 TIMING: 4209600 CPU: 12232.9, 0.00290922/step Wall: 12232.9, 0.00290922/step, 0.638735 hours remaining, 208.601562 MB of memory in use. ENERGY: 4209600 744.1153 2071.7892 1962.3900 112.4686 -206064.8749 17923.3930 0.0000 0.0000 34236.6950 -149014.0237 298.9976 -183250.7187 -148921.4773 300.0557 100.2899 132.3899 556467.9223 -13.3953 -13.3174 PRESSURE: 4209800 106.347 87.3263 -8.37462 87.3275 -208.118 -71.3203 -8.3728 -71.3202 -68.2714 GPRESSURE: 4209800 103.621 111.227 42.4461 22.069 -96.1486 18.0125 40.3603 -159.463 -74.6036 PRESSAVG: 4209800 35.5085 75.7664 9.62693 75.7664 23.2614 21.4897 9.62695 21.4897 17.7462 GPRESSAVG: 4209800 35.3451 73.6698 10.9193 76.0025 24.0394 22.7208 8.92723 18.8183 16.8789 TIMING: 4209800 CPU: 12233.5, 0.00289775/step Wall: 12233.5, 0.00289775/step, 0.636056 hours remaining, 208.601562 MB of memory in use. ENERGY: 4209800 733.5541 2084.4285 1984.0890 112.6214 -206386.4762 17791.3164 0.0000 0.0000 34486.2292 -149194.2375 301.1768 -183680.4667 -149098.1006 300.2046 -56.6809 -22.3770 557030.5236 25.5054 25.4211 PRESSURE: 4210000 -68.8113 -115.594 45.3059 -115.593 -267.021 -134.135 45.305 -134.134 -63.3118 GPRESSURE: 4210000 -48.5004 -170.113 121.406 -40.063 -219.961 -171.082 -17.2925 -106.708 -44.6661 PRESSAVG: 4210000 4.91584 22.4906 70.203 22.4907 68.6758 -80.7968 70.2029 -80.7967 -79.8879 GPRESSAVG: 4210000 3.89454 21.2578 68.544 22.956 68.9799 -80.8727 70.7822 -77.8548 -79.4815 TIMING: 4210000 CPU: 12234.1, 0.0028872/step Wall: 12234.1, 0.0028872/step, 0.63358 hours remaining, 208.601562 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: 4210000 775.9678 2080.2223 1975.1313 103.9194 -206310.9133 17772.9631 0.0000 0.0000 34589.0538 -149013.6556 302.0748 -183602.7094 -148914.4782 299.2551 -133.0480 -104.3757 558005.1519 -2.0987 -2.2023 PRESSURE: 4210200 271.652 106.707 -20.4746 106.708 -9.48913 -124.857 -20.4746 -124.856 278.487 GPRESSURE: 4210200 311.91 93.2509 -33.7981 43.8206 -14.8744 -123.759 1.20138 -29.2527 344.307 PRESSAVG: 4210200 30.9952 -21.9706 -8.87614 -21.9706 -22.8606 -43.84 -8.87609 -43.8399 -1.17786 GPRESSAVG: 4210200 31.9127 -20.2464 -10.2372 -20.343 -23.0521 -43.5415 -9.28546 -45.9589 -1.74912 TIMING: 4210200 CPU: 12234.7, 0.00289529/step Wall: 12234.7, 0.00289529/step, 0.635194 hours remaining, 208.601562 MB of memory in use. ENERGY: 4210200 744.9161 2127.1397 1976.9118 100.4628 -206403.8681 18034.6011 0.0000 0.0000 34210.9909 -149208.8457 298.7731 -183419.8365 -149111.6009 298.9234 180.2164 213.7809 556759.7913 2.3189 2.3705 PRESSURE: 4210400 -343.799 21.1425 -245.351 21.1432 -325.648 82.4254 -245.351 82.4259 -75.0783 GPRESSURE: 4210400 -334.437 16.9676 -191.098 15.8328 -281.605 26.1528 -266.08 79.1163 -32.6785 PRESSAVG: 4210400 43.237 70.6836 8.18223 70.6836 -29.7612 -3.30399 8.18214 -3.304 20.5754 GPRESSAVG: 4210400 42.5712 71.7636 9.78014 67.8009 -29.3547 -3.95311 10.5671 -3.06225 21.1432 TIMING: 4210400 CPU: 12235.2, 0.00289417/step Wall: 12235.2, 0.00289417/step, 0.634788 hours remaining, 208.601562 MB of memory in use. ENERGY: 4210400 791.1142 2106.7260 1957.8664 104.8709 -205741.2812 17500.8875 0.0000 0.0000 34161.3683 -149118.4478 298.3397 -183279.8161 -149026.7887 299.3328 -248.1753 -216.2404 557313.1190 11.3504 11.4532 PRESSURE: 4210600 122.862 99.7583 24.3032 99.7583 227.469 -69.3969 24.303 -69.3962 252.186 GPRESSURE: 4210600 223.381 189.851 1.64988 56.9452 187.628 -18.3643 78.3793 -49.1137 267.431 PRESSAVG: 4210600 36.0356 -18.9336 31.6318 -18.9336 -28.5529 -17.0572 31.6318 -17.0572 49.5722 GPRESSAVG: 4210600 36.3175 -18.7129 29.3089 -19.5007 -28.8136 -17.7594 32.561 -16.3808 48.928 TIMING: 4210600 CPU: 12235.8, 0.00289272/step Wall: 12235.8, 0.00289272/step, 0.63431 hours remaining, 208.601562 MB of memory in use. ENERGY: 4210600 756.4764 2117.2186 1952.9155 117.5621 -206638.5300 18189.6768 0.0000 0.0000 34530.4887 -148974.1921 301.5633 -183504.6807 -148869.1277 299.7294 200.8392 226.1466 555960.6235 19.0183 18.8106 PRESSURE: 4210800 -337.226 170.914 -39.1992 170.914 229.54 107.248 -39.1987 107.248 -102.269 GPRESSURE: 4210800 -302.631 166.992 -2.11481 187.909 245.994 123.102 -75.6485 159.028 -64.2075 PRESSAVG: 4210800 -15.6487 -43.0296 -21.5738 -43.0295 46.8092 -13.1639 -21.5738 -13.1639 24.9245 GPRESSAVG: 4210800 -15.7259 -43.497 -20.8876 -40.0464 46.1684 -13.6899 -23.8615 -14.1776 26.3021 TIMING: 4210800 CPU: 12236.4, 0.00287795/step Wall: 12236.4, 0.00287795/step, 0.630911 hours remaining, 208.601562 MB of memory in use. ENERGY: 4210800 715.6377 2009.9401 1972.2190 113.8944 -205616.7825 17449.5144 0.0000 0.0000 34451.7391 -148903.8377 300.8756 -183355.5768 -148806.4822 300.0778 -69.9847 -40.2817 558514.1354 18.6950 18.9149 PRESSURE: 4211000 292.238 40.1303 49.2876 40.1302 113.085 36.6493 49.2871 36.6483 3.41616 GPRESSURE: 4211000 325.859 101.884 89.6234 -32.2331 146.037 4.33952 120.551 -9.80499 25.9816 PRESSAVG: 4211000 -12.594 2.85017 -52.4629 2.85018 -9.31872 5.25248 -52.4628 5.25248 2.51539 GPRESSAVG: 4211000 -12.9167 3.85921 -51.9662 -0.138535 -8.71902 6.2139 -51.0006 4.64847 2.27866 TIMING: 4211000 CPU: 12237, 0.00289141/step Wall: 12237, 0.00289141/step, 0.633702 hours remaining, 208.601562 MB of memory in use. ENERGY: 4211000 756.7857 2027.2928 1966.2585 120.5499 -206479.2078 18228.2876 0.0000 0.0000 34511.2985 -148868.7347 301.3958 -183380.0333 -148772.8139 300.2656 136.2462 165.9591 557344.6049 -6.4658 -6.4524 PRESSURE: 4211200 108.085 0.938483 -91.2595 0.939041 -123.401 64.5197 -91.26 64.5219 -97.3827 GPRESSURE: 4211200 113.9 58.4156 -31.8994 23.8495 -76.8744 65.9017 -55.1246 61.9937 -47.0457 PRESSAVG: 4211200 -7.9553 -21.137 -16.7716 -21.1369 -18.5224 -21.193 -16.7717 -21.193 -6.87552 GPRESSAVG: 4211200 -6.94348 -22.0748 -17.2323 -18.587 -18.5227 -20.4779 -16.8063 -20.7121 -8.00037 TIMING: 4211200 CPU: 12237.6, 0.00290551/step Wall: 12237.6, 0.00290551/step, 0.63663 hours remaining, 208.601562 MB of memory in use. ENERGY: 4211200 735.9071 2110.5257 2004.5593 107.2131 -206193.2098 17767.1987 0.0000 0.0000 34461.6176 -149006.1883 300.9619 -183467.8059 -148914.9148 300.0978 -37.5662 -3.3399 557123.7986 -11.1177 -11.1555 PRESSURE: 4211400 -115.77 52.3981 113.702 52.3991 -401.042 62.2823 113.701 62.2827 -232.68 GPRESSURE: 4211400 -166.242 20.5006 145.663 -57.4129 -270.208 93.9472 144.622 12.5533 -217.736 PRESSAVG: 4211400 -3.4262 -4.34612 4.92959 -4.34609 -3.0532 -46.458 4.9296 -46.4579 -19.7423 GPRESSAVG: 4211400 -3.18712 -4.57104 5.75118 -5.57718 -4.26966 -48.151 3.13861 -45.5582 -18.764 TIMING: 4211400 CPU: 12238.1, 0.00289565/step Wall: 12238.1, 0.00289565/step, 0.634308 hours remaining, 208.601562 MB of memory in use. ENERGY: 4211400 751.9433 2079.0326 1948.3752 120.8644 -205587.8457 17434.2627 0.0000 0.0000 34168.8347 -149084.5327 298.4049 -183253.3674 -148983.8430 300.1288 -249.8307 -218.0621 559559.4126 -8.7405 -8.7403 PRESSURE: 4211600 -119.098 17.4393 -20.2215 17.4388 -241.463 -48.1274 -20.2208 -48.1267 -88.1348 GPRESSURE: 4211600 -115.176 40.2613 -31.1585 83.7415 -215.538 -125.817 -33.8023 -80.1609 -16.2819 PRESSAVG: 4211600 14.1872 -10.1989 1.09673 -10.1989 -22.9695 -9.54289 1.09677 -9.54286 -43.9531 GPRESSAVG: 4211600 13.4144 -10.8566 1.73715 -8.14575 -21.4807 -8.44399 1.40397 -10.592 -43.8762 TIMING: 4211600 CPU: 12238.7, 0.00289847/step Wall: 12238.7, 0.00289847/step, 0.634764 hours remaining, 208.601562 MB of memory in use. ENERGY: 4211600 763.4320 2128.9963 1961.3569 120.5123 -206037.4835 17734.1456 0.0000 0.0000 34289.5669 -149039.4735 299.4593 -183329.0404 -148940.9324 299.1441 -149.5652 -115.6653 558282.1222 -17.5785 -17.3142 PRESSURE: 4211800 78.691 20.8931 -24.3488 20.8943 -83.2191 -121.527 -24.3472 -121.526 259.451 GPRESSURE: 4211800 93.7304 52.4429 -37.0481 53.6451 -39.485 -97.0314 -21.09 -36.9536 291.025 PRESSAVG: 4211800 4.96302 -5.79167 -39.8781 -5.79162 11.9671 0.655806 -39.878 0.655921 19.7772 GPRESSAVG: 4211800 4.87944 -5.8668 -42.7095 -6.52232 11.7421 -2.04909 -37.0983 3.64647 20.0083 TIMING: 4211800 CPU: 12239.3, 0.0028965/step Wall: 12239.3, 0.0028965/step, 0.634172 hours remaining, 208.601562 MB of memory in use. ENERGY: 4211800 763.2618 2087.0839 1915.9516 95.7650 -205979.0638 17854.5567 0.0000 0.0000 34093.9468 -149168.4980 297.7509 -183262.4448 -149069.7887 299.5545 84.9743 115.0900 557789.0020 12.2357 12.2099 PRESSURE: 4212000 -78.8601 26.2578 144.429 26.2564 -363.533 70.9057 144.429 70.905 -267.482 GPRESSURE: 4212000 -67.6739 44.1738 129.01 -94.9191 -347.692 88.5821 128.538 -38.8508 -193.846 PRESSAVG: 4212000 13.3076 4.45783 -24.9516 4.45784 30.9423 -28.1396 -24.9516 -28.1398 -25.4797 GPRESSAVG: 4212000 13.3056 5.11492 -22.6142 3.70739 30.3446 -27.3182 -27.6281 -29.3752 -25.0803 TIMING: 4212000 CPU: 12239.9, 0.00292436/step Wall: 12239.9, 0.00292436/step, 0.64011 hours remaining, 208.601562 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: 4212000 730.8351 2127.0045 1952.8966 106.3228 -205617.7630 17309.3402 0.0000 0.0000 34146.7967 -149244.5671 298.2125 -183391.3638 -149145.9928 298.6987 -236.6250 -203.0707 558053.1198 6.2568 6.1899 PRESSURE: 4212200 257.143 -38.9737 145.183 -38.9725 295.748 118.702 145.183 118.701 -268.161 GPRESSURE: 4212200 231.663 -83.8559 67.599 -24.1684 356.686 9.54947 152.043 139.001 -216.098 PRESSAVG: 4212200 39.9045 4.88872 -2.42111 4.88875 -29.4881 11.2598 -2.42119 11.2598 -52.0192 GPRESSAVG: 4212200 40.1952 3.95721 -2.61706 6.22998 -29.5313 9.89967 -1.13771 10.9294 -52.3292 TIMING: 4212200 CPU: 12240.5, 0.00291552/step Wall: 12240.5, 0.00291552/step, 0.638012 hours remaining, 208.601562 MB of memory in use. ENERGY: 4212200 747.8572 2069.1454 1941.0000 107.5857 -206101.9252 17961.3264 0.0000 0.0000 34218.5743 -149056.4362 298.8393 -183275.0104 -148954.3739 299.8586 94.9103 124.0837 558170.2433 -13.8676 -13.8884 LDB: ============= START OF LOAD BALANCING ============== 12243.9 LDB: ============== END OF LOAD BALANCING =============== 12243.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12243.9 LDB: ============= START OF LOAD BALANCING ============== 12244.2 LDB: Largest compute 4849 load 0.028340 is 24.1% of average load 0.117826 LDB: Average compute 0.001744 is 1.5% of average load 0.117826 LDB: TIME 12244.2 LOAD: AVG 0.117826 MAX 0.178167 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.172 MB LDB: TIME 12244.2 LOAD: AVG 0.117826 MAX 0.178167 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.242 MB LDB: TIME 12244.2 LOAD: AVG 0.117826 MAX 0.178167 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.242 MB LDB: ============== END OF LOAD BALANCING =============== 12244.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12244.2 PRESSURE: 4212400 -38.8097 18.7136 -73.8179 18.7128 142.183 39.4227 -73.818 39.4239 0.805565 GPRESSURE: 4212400 15.7485 -18.0374 -116.041 99.4288 165.124 -32.8974 -79.0589 74.5038 15.223 PRESSAVG: 4212400 148.528 -62.6188 -54.9946 -62.6189 -12.8076 70.1193 -54.9947 70.1194 -81.5187 GPRESSAVG: 4212400 147.696 -60.968 -54.5415 -66.7156 -12.1158 73.0623 -54.9649 68.3004 -81.0157 TIMING: 4212400 CPU: 12241.1, 0.00298405/step Wall: 12241.1, 0.00298405/step, 0.652845 hours remaining, 206.074219 MB of memory in use. ENERGY: 4212400 728.1313 2097.9328 1953.4989 106.4501 -206048.9877 17852.6295 0.0000 0.0000 34292.6908 -149017.6543 299.4866 -183310.3451 -148915.9352 299.9731 34.7263 65.3653 558632.2670 18.0673 18.1882 PRESSURE: 4212600 203.351 -60.0261 132.788 -60.0261 92.395 -42.8058 132.788 -42.8041 197.444 GPRESSURE: 4212600 242.273 -61.755 74.0281 -131.339 104.724 -13.8926 221.586 12.4302 240.692 PRESSAVG: 4212600 40.9908 -43.2828 21.3262 -43.2828 -38.7328 5.88342 21.3261 5.88351 -24.1242 GPRESSAVG: 4212600 41.5481 -43.541 17.9758 -40.6211 -39.1999 7.58788 22.6067 6.50466 -24.5087 TIMING: 4212600 CPU: 12241.6, 0.00287917/step Wall: 12241.6, 0.00287917/step, 0.629739 hours remaining, 206.316406 MB of memory in use. ENERGY: 4212600 718.2941 2074.4323 1954.4379 109.7448 -206265.9241 18010.4438 0.0000 0.0000 34532.4478 -148866.1233 301.5805 -183398.5710 -148772.5278 300.1560 164.3966 195.8961 556938.8383 -7.2887 -7.3868 PRESSURE: 4212800 0.860226 69.5622 14.5279 69.5629 423.599 161.065 14.528 161.065 82.4095 GPRESSURE: 4212800 0.361367 30.7392 63.068 82.2124 396.032 171.19 -6.42944 141.437 206.499 PRESSAVG: 4212800 -42.3777 -9.4278 17.841 -9.4278 26.2845 -17.6652 17.8411 -17.6654 34.9668 GPRESSAVG: 4212800 -42.1081 -9.25424 19.8597 -11.1869 25.8853 -21.1113 17.2329 -16.8508 35.7893 TIMING: 4212800 CPU: 12242.2, 0.00289802/step Wall: 12242.2, 0.00289802/step, 0.633701 hours remaining, 206.316406 MB of memory in use. ENERGY: 4212800 733.8960 2111.5171 1933.3326 110.8683 -206201.1891 18032.8019 0.0000 0.0000 34373.5336 -148905.2395 300.1926 -183278.7732 -148816.7782 300.4975 168.9562 200.9644 557645.2496 6.2912 6.5222 PRESSURE: 4213000 -276.892 123.986 -160.689 123.985 -257.372 -6.89376 -160.691 -6.89521 -55.53 GPRESSURE: 4213000 -197.059 50.5386 -185.486 184.977 -207.941 -45.3758 -195.551 -44.7031 -77.9843 PRESSAVG: 4213000 -76.2639 5.36029 -16.8013 5.36025 -11.0377 14.9454 -16.8013 14.9454 93.753 GPRESSAVG: 4213000 -76.1106 4.19901 -16.976 5.93457 -10.5898 16.6497 -16.4626 15.6589 93.1122 TIMING: 4213000 CPU: 12242.8, 0.00289023/step Wall: 12242.8, 0.00289023/step, 0.631836 hours remaining, 206.316406 MB of memory in use. ENERGY: 4213000 745.0340 2098.3703 1927.5293 119.2833 -205970.2461 17487.2201 0.0000 0.0000 34573.6984 -149019.1107 301.9407 -183592.8091 -148915.2560 300.1180 -196.5977 -160.9948 556263.7035 2.1505 2.1373 PRESSURE: 4213200 -65.7467 -62.256 -32.3262 -62.2555 -222.235 -29.5064 -32.3264 -29.5064 -192.951 GPRESSURE: 4213200 -16.1391 -95.2632 -15.0511 -72.343 -185.258 -88.4697 -9.21326 93.0726 -178.866 PRESSAVG: 4213200 -49.0835 0.378066 -74.0667 0.378114 -18.5085 -41.4105 -74.0667 -41.4105 99.6537 GPRESSAVG: 4213200 -49.9132 -0.280655 -74.2568 2.71438 -17.959 -40.9801 -74.2454 -43.9089 99.4928 TIMING: 4213200 CPU: 12243.4, 0.00291846/step Wall: 12243.4, 0.00291846/step, 0.637845 hours remaining, 206.316406 MB of memory in use. ENERGY: 4213200 774.9690 2079.1126 1960.2460 117.2364 -205801.7528 17418.2446 0.0000 0.0000 34443.6413 -149008.3030 300.8049 -183451.9443 -148917.1914 299.7456 -160.3109 -126.7541 558021.4502 10.6872 10.5402 PRESSURE: 4213400 -2.32897 16.0067 -13.944 16.0076 -78.0906 326.076 -13.9441 326.075 -54.1271 GPRESSURE: 4213400 -6.79712 37.4727 11.3578 72.6672 -66.3306 244.68 -34.2783 344.316 36.492 PRESSAVG: 4213400 -15.4451 -4.76964 -48.5054 -4.7696 -14.9095 93.3062 -48.5054 93.3063 51.6246 GPRESSAVG: 4213400 -15.9563 -3.67673 -47.7518 -6.99644 -13.8395 90.3955 -48.624 94.4464 50.9921 TIMING: 4213400 CPU: 12244, 0.002911/step Wall: 12244, 0.002911/step, 0.636054 hours remaining, 206.316406 MB of memory in use. ENERGY: 4213400 770.7936 2089.2232 1919.8927 105.8886 -206028.9948 17678.6880 0.0000 0.0000 34450.8449 -149013.6638 300.8678 -183464.5087 -148916.7144 300.1385 -44.8489 -12.2119 557437.6703 7.0900 7.0654 PRESSURE: 4213600 55.9349 85.3474 -183.319 85.3471 -24.9195 -123.604 -183.32 -123.604 -88.8427 GPRESSURE: 4213600 30.647 102.873 -224.131 134.739 11.7569 -50.7963 -172.932 3.10966 1.34171 PRESSAVG: 4213600 -19.3018 -22.5822 15.6566 -22.5823 6.91201 -20.3732 15.6565 -20.3732 79.6634 GPRESSAVG: 4213600 -18.7953 -23.3441 17.4807 -21.3963 6.59009 -17.8358 14.2201 -20.1046 79.0984 TIMING: 4213600 CPU: 12244.6, 0.00292854/step Wall: 12244.6, 0.00292854/step, 0.639724 hours remaining, 206.316406 MB of memory in use. ENERGY: 4213600 786.5661 2085.6837 1925.6792 110.7362 -206204.9838 17893.1384 0.0000 0.0000 34616.0216 -148787.1586 302.3103 -183403.1802 -148688.0378 300.7412 -19.2758 14.5819 558469.2125 22.4245 22.2978 PRESSURE: 4213800 -210.486 61.8916 -20.8833 61.8926 109.958 18.1711 -20.8843 18.1719 -302.354 GPRESSURE: 4213800 -147.746 85.6177 8.62859 51.9336 186.87 22.2877 -57.8517 10.864 -349.191 PRESSAVG: 4213800 -32.2571 -29.9751 29.69 -29.9751 45.0053 -2.57075 29.6901 -2.57075 14.7573 GPRESSAVG: 4213800 -30.7723 -29.2237 27.782 -30.9461 43.4278 -1.39231 31.0903 -1.84261 14.7121 TIMING: 4213800 CPU: 12245.1, 0.00293666/step Wall: 12245.1, 0.00293666/step, 0.641334 hours remaining, 206.316406 MB of memory in use. ENERGY: 4213800 766.7628 2136.6055 1974.8396 113.8472 -206084.9950 17692.6176 0.0000 0.0000 34336.9143 -149063.4079 299.8728 -183400.3222 -148974.9860 299.7970 -134.2940 -103.3554 557988.9150 9.1685 9.1226 PRESSURE: 4214000 -104.301 15.3377 130.525 15.3392 33.2953 43.3086 130.525 43.3103 -56.4929 GPRESSURE: 4214000 -42.218 -46.4294 171.025 83.8511 38.8136 -8.25748 94.7327 43.4352 -32.5893 PRESSAVG: 4214000 16.9787 45.3628 8.85256 45.3627 -58.1647 26.2579 8.85266 26.2579 36.6146 GPRESSAVG: 4214000 16.3666 47.0643 8.25864 44.1239 -58.4679 24.8217 9.12428 26.138 37.5954 TIMING: 4214000 CPU: 12245.7, 0.00291227/step Wall: 12245.7, 0.00291227/step, 0.635845 hours remaining, 206.316406 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: 4214000 717.3498 2056.6249 1961.2180 110.5151 -205737.1563 17560.9455 0.0000 0.0000 34312.2766 -149018.2265 299.6576 -183330.5031 -148920.6567 299.5685 -42.4995 -11.9979 557515.9141 -1.5238 -1.5020 PRESSURE: 4214200 -12.3013 -63.9242 55.3005 -63.9243 1.40627 -158.038 55.3009 -158.038 -149.341 GPRESSURE: 4214200 54.6654 -98.9489 60.7046 -58.2807 57.5929 -172.082 29.7738 -136.412 -167.168 PRESSAVG: 4214200 42.4329 24.7115 63.6208 24.7115 20.1156 -15.6545 63.6208 -15.6544 -55.2435 GPRESSAVG: 4214200 42.0195 20.564 63.0438 28.3904 20.4721 -16.482 62.8179 -15.4302 -55.5336 TIMING: 4214200 CPU: 12246.3, 0.00291575/step Wall: 12246.3, 0.00291575/step, 0.636443 hours remaining, 206.375000 MB of memory in use. ENERGY: 4214200 762.1972 2082.9034 1902.6547 109.5243 -206020.7733 17784.0529 0.0000 0.0000 34424.4164 -148955.0245 300.6370 -183379.4408 -148861.9252 299.8497 -53.4122 -18.3033 558885.6226 2.4350 2.3193 PRESSURE: 4214400 -76.8898 -73.6068 90.2421 -73.606 -220.662 11.6626 90.2431 11.6651 -140.817 GPRESSURE: 4214400 -56.191 -49.5614 135.645 -118.584 -144.76 1.91185 -0.454863 -3.34364 -128.9 PRESSAVG: 4214400 -49.5711 -42.8514 -88.3843 -42.8515 51.4112 -24.977 -88.3843 -24.9771 -12.3714 GPRESSAVG: 4214400 -49.6013 -40.9881 -86.3982 -44.0242 51.7753 -23.8557 -89.9694 -25.7363 -12.759 TIMING: 4214400 CPU: 12246.9, 0.00291869/step Wall: 12246.9, 0.00291869/step, 0.636922 hours remaining, 206.375000 MB of memory in use. ENERGY: 4214400 765.4843 2065.9805 1955.4672 106.7056 -205828.9184 17522.7886 0.0000 0.0000 34364.6051 -149047.8872 300.1146 -183412.4923 -148956.0548 300.3046 -146.1228 -109.9501 557848.1835 -3.5104 -3.5283 PRESSURE: 4214600 -168.3 -71.2125 31.0378 -71.2116 48.4201 -49.8456 31.0383 -49.8451 135.821 GPRESSURE: 4214600 -112.536 -27.7425 94.441 -131.951 51.0353 -46.8183 -26.334 -44.6202 179.784 PRESSAVG: 4214600 11.1339 -6.68375 -8.02606 -6.68373 -16.7947 23.0621 -8.02601 23.0621 56.2751 GPRESSAVG: 4214600 10.7624 -5.94748 -7.4451 -6.9403 -16.6958 21.8446 -6.67576 25.9971 56.6517 TIMING: 4214600 CPU: 12247.5, 0.00289627/step Wall: 12247.5, 0.00289627/step, 0.631869 hours remaining, 206.375000 MB of memory in use. ENERGY: 4214600 707.6369 2085.6676 1942.2204 117.1739 -205711.2903 17624.1267 0.0000 0.0000 34121.1193 -149113.3455 297.9882 -183234.4648 -149018.9092 299.9932 5.3137 39.4280 557152.7564 16.8714 16.9061 PRESSURE: 4214800 106.41 -60.0329 327.376 -60.0328 114.887 -11.124 327.376 -11.122 16.9676 GPRESSURE: 4214800 195.843 -143.192 360.607 -99.3592 57.361 -56.494 213.509 61.4247 73.7435 PRESSAVG: 4214800 -39.7498 -13.1785 36.7325 -13.1785 34.2665 52.2389 36.7324 52.2388 -4.44268 GPRESSAVG: 4214800 -39.8832 -12.6901 35.3321 -12.821 33.799 52.848 36.0845 49.1032 -3.66344 TIMING: 4214800 CPU: 12248, 0.00289888/step Wall: 12248, 0.00289888/step, 0.632278 hours remaining, 206.375000 MB of memory in use. ENERGY: 4214800 727.3775 2080.1865 1960.4467 118.8324 -206351.2797 17938.7283 0.0000 0.0000 34393.0491 -149132.6591 300.3631 -183525.7082 -149029.3775 299.5085 79.4215 108.9826 558086.4480 -3.3087 -3.2492 PRESSURE: 4215000 -306.658 -89.1477 79.2807 -89.1473 -58.4898 -40.5102 79.2805 -40.5109 -20.8441 GPRESSURE: 4215000 -228.011 -11.0255 115.88 -138.359 -17.6167 -13.8784 130.14 -25.9082 -49.8663 PRESSAVG: 4215000 -46.9037 7.27664 77.0374 7.27656 -4.64317 -5.90794 77.0375 -5.90785 25.5242 GPRESSAVG: 4215000 -45.4934 7.52854 79.3317 6.16755 -4.65956 -6.23576 77.164 -6.37918 23.885 TIMING: 4215000 CPU: 12248.6, 0.00288525/step Wall: 12248.6, 0.00288525/step, 0.629145 hours remaining, 206.375000 MB of memory in use. ENERGY: 4215000 714.7989 2072.0453 1941.3949 117.2611 -205766.5968 17670.0443 0.0000 0.0000 34056.9701 -149194.0823 297.4280 -183251.0523 -149094.8788 298.8753 -128.6639 -98.4981 558654.7745 -8.6742 -8.7560 PRESSURE: 4215200 -187.079 -7.60682 -91.7573 -7.60752 26.0975 -130.562 -91.7584 -130.564 -136.516 GPRESSURE: 4215200 -169.394 -60.0331 -75.4305 50.7377 90.0525 -71.2425 -116.024 -118.479 -119.772 PRESSAVG: 4215200 -53.4795 -2.0414 41.0339 -2.04135 1.41005 -50.2883 41.0338 -50.2884 11.8596 GPRESSAVG: 4215200 -54.1448 -3.18948 39.7897 -3.51061 0.85499 -49.1167 41.1491 -50.0351 13.2014 TIMING: 4215200 CPU: 12249.2, 0.00287529/step Wall: 12249.2, 0.00287529/step, 0.626813 hours remaining, 206.441406 MB of memory in use. ENERGY: 4215200 733.1584 2056.1580 1971.7167 116.0058 -205938.5572 17586.4569 0.0000 0.0000 34269.0270 -149206.0344 299.2799 -183475.0614 -149110.5690 298.9380 -99.1658 -66.3712 556946.3790 -13.4033 -13.3628 PRESSURE: 4215400 22.2135 98.3155 28.4919 98.3168 -85.053 169.288 28.4932 169.287 -298.04 GPRESSURE: 4215400 55.7377 75.4674 -4.3432 50.3426 -19.7292 139.242 34.8377 220.9 -290.725 PRESSAVG: 4215400 -28.1954 24.6903 4.84359 24.6903 97.1516 44.4602 4.84353 44.4603 -67.4067 GPRESSAVG: 4215400 -27.8953 24.9682 4.5831 25.2203 96.7112 44.6654 4.5617 42.7879 -66.5868 TIMING: 4215400 CPU: 12249.8, 0.00290238/step Wall: 12249.8, 0.00290238/step, 0.632558 hours remaining, 206.441406 MB of memory in use. ENERGY: 4215400 719.6435 2068.3595 1965.4101 101.3462 -205960.7269 17659.1262 0.0000 0.0000 34246.1512 -149200.6902 299.0802 -183446.8414 -149097.0973 299.4856 -120.2933 -84.9056 558676.0102 0.5165 0.7430 PRESSURE: 4215600 51.5538 -42.9534 -10.2751 -42.9525 90.3168 -15.9044 -10.2763 -15.9053 -15.3445 GPRESSURE: 4215600 109.617 -54.0991 -49.1791 -17.4673 176.781 -21.4293 6.49883 -33.4889 -60.0409 PRESSAVG: 4215600 -0.753431 -14.1044 -28.4831 -14.1044 35.2134 -5.50706 -28.4832 -5.50712 -24.6363 GPRESSAVG: 4215600 -1.88097 -13.7366 -28.8013 -12.2202 36.7471 -5.5705 -27.8246 -4.38408 -25.9749 TIMING: 4215600 CPU: 12250.4, 0.00288414/step Wall: 12250.4, 0.00288414/step, 0.628422 hours remaining, 206.441406 MB of memory in use. ENERGY: 4215600 778.9075 2081.4881 1941.8202 112.3318 -205968.4172 17843.0138 0.0000 0.0000 34091.8161 -149119.0396 297.7323 -183210.8557 -149020.3157 298.9414 42.1754 75.4523 556502.1995 3.2745 2.9637 PRESSURE: 4215800 -30.8248 66.7228 -108.045 66.7229 153.618 138.883 -108.045 138.884 281.184 GPRESSURE: 4215800 59.6078 123.533 -169.196 25.6 183.301 127.774 -44.1506 124.404 249.466 PRESSAVG: 4215800 -17.5045 11.7706 -5.12219 11.7707 23.9735 54.8343 -5.12219 54.8343 8.88655 GPRESSAVG: 4215800 -17.3948 13.0179 -3.03736 8.81832 23.6769 52.859 -6.95814 54.1763 9.00092 TIMING: 4215800 CPU: 12250.9, 0.00290425/step Wall: 12250.9, 0.00290425/step, 0.632643 hours remaining, 206.441406 MB of memory in use. ENERGY: 4215800 761.0694 2141.4556 1959.5999 101.5410 -206480.0806 18081.1889 0.0000 0.0000 34317.5166 -149117.7092 299.7034 -183435.2258 -149020.2585 299.7618 134.6592 164.1250 556907.2973 5.1185 5.0944 PRESSURE: 4216000 -183.268 0.887039 37.3777 0.887307 -17.2948 21.1624 37.378 21.162 -348.683 GPRESSURE: 4216000 -170.151 7.47753 46.8362 21.3164 17.1396 79.8425 64.4662 -19.83 -284.215 PRESSAVG: 4216000 32.8636 -12.5913 19.3753 -12.5914 -38.0298 39.7798 19.3753 39.7798 22.017 GPRESSAVG: 4216000 32.1847 -14.0507 18.6501 -10.4682 -38.7978 41.1919 22.2104 40.3511 23.3389 TIMING: 4216000 CPU: 12251.5, 0.00288581/step Wall: 12251.5, 0.00288581/step, 0.628466 hours remaining, 206.441406 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: 4216000 760.9756 2188.5173 1944.9803 103.6147 -205792.8496 17609.5730 0.0000 0.0000 33970.8083 -149214.3804 296.6755 -183185.1887 -149125.2716 299.3701 -183.0816 -145.7422 557964.5087 5.6169 5.5753 PRESSURE: 4216200 117.011 -62.6751 -190.959 -62.6753 -76.992 -29.6284 -190.959 -29.6292 -380.563 GPRESSURE: 4216200 188.734 44.8532 -261.977 -55.8678 -78.2233 -72.6145 -237.047 -34.1822 -353.996 PRESSAVG: 4216200 -79.5377 -11.7938 8.28266 -11.7938 22.1177 -9.83854 8.28265 -9.83855 70.5123 GPRESSAVG: 4216200 -78.6971 -10.8017 6.72957 -11.0195 21.3453 -11.9705 7.29531 -8.76898 70.9217 TIMING: 4216200 CPU: 12252.1, 0.0028751/step Wall: 12252.1, 0.0028751/step, 0.625972 hours remaining, 206.441406 MB of memory in use. ENERGY: 4216200 723.6157 2108.3276 1977.3679 118.8947 -206010.3372 17476.5844 0.0000 0.0000 34378.0896 -149227.4572 300.2324 -183605.5468 -149135.1324 299.3872 -113.5146 -81.1616 556773.2467 4.3641 4.5233 LDB: ============= START OF LOAD BALANCING ============== 12255.6 LDB: ============== END OF LOAD BALANCING =============== 12255.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12255.6 LDB: ============= START OF LOAD BALANCING ============== 12255.8 LDB: Largest compute 4849 load 0.027968 is 23.7% of average load 0.117837 LDB: Average compute 0.001740 is 1.5% of average load 0.117837 LDB: TIME 12255.8 LOAD: AVG 0.117837 MAX 0.178644 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.93 MB LDB: TIME 12255.8 LOAD: AVG 0.117837 MAX 0.178644 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: TIME 12255.8 LOAD: AVG 0.117837 MAX 0.178644 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12255.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12255.9 PRESSURE: 4216400 25.7166 112.303 -80.8216 112.303 -60.1237 162.599 -80.8212 162.599 -110.623 GPRESSURE: 4216400 43.8591 172.383 -67.8754 104.79 -37.174 199.689 -127.121 194.244 -64.3326 PRESSAVG: 4216400 10.0744 30.276 6.21587 30.276 45.9852 56.1315 6.21599 56.1315 -51.0205 GPRESSAVG: 4216400 9.99566 30.8101 4.98511 30.0763 46.2755 58.2416 6.40535 56.2854 -51.1922 TIMING: 4216400 CPU: 12252.7, 0.00295246/step Wall: 12252.7, 0.00295246/step, 0.642651 hours remaining, 206.722656 MB of memory in use. ENERGY: 4216400 705.9667 2102.4457 1965.5084 113.1614 -206325.1304 17809.3421 0.0000 0.0000 34432.9977 -149195.7084 300.7119 -183628.7061 -149092.3098 298.4018 -48.3434 -19.2158 556878.8019 1.6797 1.6930 PRESSURE: 4216600 207.724 -51.5911 79.8288 -51.5921 44.765 31.492 79.8292 31.4937 110.883 GPRESSURE: 4216600 206.593 35.2497 56.1807 -29.1372 75.206 69.3768 145.44 -11.0811 177.27 PRESSAVG: 4216600 70.2375 80.6665 -17.7119 80.6665 -41.6496 6.82484 -17.7118 6.82477 4.61274 GPRESSAVG: 4216600 70.918 79.4067 -14.5461 81.2871 -40.7383 5.69492 -18.0411 5.2688 3.4746 TIMING: 4216600 CPU: 12253.3, 0.00289157/step Wall: 12253.3, 0.00289157/step, 0.629238 hours remaining, 206.964844 MB of memory in use. ENERGY: 4216600 774.6993 2080.9795 1962.9522 118.0294 -206586.8702 18140.5733 0.0000 0.0000 34472.8983 -149036.7382 301.0604 -183509.6365 -148941.1855 300.8460 121.1241 153.0229 558172.8116 11.0669 11.2181 PRESSURE: 4216800 239.437 -48.3213 -55.482 -48.3211 315.94 -8.68039 -55.4826 -8.68105 119.621 GPRESSURE: 4216800 290.199 -42.1966 -65.8404 -104.07 387.332 76.9835 -7.73222 68.1001 107.577 PRESSAVG: 4216800 -24.3634 -14.9111 -1.9697 -14.911 -25.1206 5.16387 -1.9697 5.16383 31.2109 GPRESSAVG: 4216800 -25.5941 -14.3651 -4.15161 -14.8259 -24.3866 6.71278 -1.62252 5.27737 31.7768 TIMING: 4216800 CPU: 12253.8, 0.00288583/step Wall: 12253.8, 0.00288583/step, 0.627828 hours remaining, 206.964844 MB of memory in use. ENERGY: 4216800 757.6535 2038.3792 1967.0183 115.8459 -206292.4286 18138.5938 0.0000 0.0000 34277.6845 -148997.2533 299.3555 -183274.9379 -148898.7770 299.3986 224.9994 261.7027 557744.6480 -6.0910 -6.0680 PRESSURE: 4217000 -84.4268 12.8127 182.239 12.8117 81.3167 40.0788 182.238 40.0815 -33.5909 GPRESSURE: 4217000 -28.0397 49.3705 160.594 6.57874 140.13 78.1796 178.085 40.6666 -53.1871 PRESSAVG: 4217000 -37.1382 52.9519 -14.5211 52.9519 46.5864 -46.8498 -14.5212 -46.8498 -49.9398 GPRESSAVG: 4217000 -36.0943 55.2701 -13.6269 50.0177 44.7531 -48.7914 -14.3579 -44.9566 -49.0842 TIMING: 4217000 CPU: 12254.4, 0.00289965/step Wall: 12254.4, 0.00289965/step, 0.630674 hours remaining, 207.054688 MB of memory in use. ENERGY: 4217000 713.9799 2036.5841 1938.1242 107.0379 -206096.9933 17798.6325 0.0000 0.0000 34377.3763 -149125.2583 300.2262 -183502.6346 -149031.1804 299.1679 -12.2337 19.6344 557275.4459 -13.4972 -13.4751 PRESSURE: 4217200 -207.34 72.8895 -195.858 72.8908 83.2085 -126.125 -195.858 -126.125 213.621 GPRESSURE: 4217200 -129.861 43.6458 -155.444 28.7471 96.4206 -169.577 -156.891 -33.4772 224.34 PRESSAVG: 4217200 -22.7567 28.7749 -27.3749 28.7749 39.7777 28.5533 -27.3749 28.5533 12.4069 GPRESSAVG: 4217200 -23.7392 25.8203 -28.4298 31.3333 40.7965 28.6317 -27.7946 29.7537 11.8616 TIMING: 4217200 CPU: 12255, 0.00289879/step Wall: 12255, 0.00289879/step, 0.630326 hours remaining, 207.054688 MB of memory in use. ENERGY: 4217200 711.6006 2124.1101 1925.0423 109.4962 -205651.9852 17613.0150 0.0000 0.0000 34089.7101 -149079.0109 297.7139 -183168.7210 -148974.1316 299.1602 29.8296 63.6331 557550.7964 9.8093 9.6396 PRESSURE: 4217400 131.135 28.2929 -15.517 28.2927 -122.844 19.4508 -15.5169 19.4511 -88.8318 GPRESSURE: 4217400 92.2325 -65.4106 -8.23557 88.6358 -88.8918 -23.0029 9.93494 10.7257 16.2296 PRESSAVG: 4217400 32.032 59.7092 4.34632 59.7092 3.68847 9.57063 4.34631 9.57067 -31.1834 GPRESSAVG: 4217400 31.7154 61.5891 4.39181 56.7716 3.88345 9.65136 6.28825 7.43284 -30.955 TIMING: 4217400 CPU: 12255.6, 0.00292533/step Wall: 12255.6, 0.00292533/step, 0.635934 hours remaining, 207.238281 MB of memory in use. ENERGY: 4217400 728.1571 2099.0480 1955.1681 116.8833 -205984.5364 17765.6536 0.0000 0.0000 34237.7486 -149081.8777 299.0068 -183319.6263 -148982.3593 299.8140 -26.8471 6.5234 556465.2664 1.5123 1.5480 PRESSURE: 4217600 -30.4299 120.225 -12.0423 120.225 -91.9998 -130.835 -12.0424 -130.834 -52.2738 GPRESSURE: 4217600 7.14715 133.146 -60.1731 97.6887 -84.431 -237.31 -2.80251 -33.4106 -9.24822 PRESSAVG: 4217600 71.6479 39.3384 18.1852 39.3384 -108.204 -15.7398 18.1851 -15.7397 8.13929 GPRESSAVG: 4217600 71.7978 38.7013 16.6201 41.517 -107.928 -15.5965 17.5601 -14.5227 7.79456 TIMING: 4217600 CPU: 12256.2, 0.00290723/step Wall: 12256.2, 0.00290723/step, 0.631838 hours remaining, 207.238281 MB of memory in use. ENERGY: 4217600 711.3088 2116.3524 1951.8469 130.7849 -206048.8682 17650.6451 0.0000 0.0000 34380.2367 -149107.6935 300.2512 -183487.9302 -149014.3532 299.8322 -58.2345 -28.8440 556406.0810 -9.4722 -9.4451 PRESSURE: 4217800 -20.932 136.37 51.5677 136.37 -137.168 33.8544 51.5669 33.854 -117.09 GPRESSURE: 4217800 32.277 164.832 25.9253 176.274 -88.4769 1.86978 136.287 91.0297 -127.719 PRESSAVG: 4217800 22.7196 36.3591 -36.0546 36.3591 -44.8913 6.91752 -36.0547 6.91742 -13.5932 GPRESSAVG: 4217800 23.5563 33.9287 -34.9321 35.8709 -45.5459 7.48966 -36.2606 6.16146 -14.1325 TIMING: 4217800 CPU: 12256.7, 0.00291283/step Wall: 12256.7, 0.00291283/step, 0.632893 hours remaining, 207.238281 MB of memory in use. ENERGY: 4217800 761.3065 2117.0279 1965.2070 110.6369 -205899.2283 17489.6525 0.0000 0.0000 34298.4837 -149156.9138 299.5372 -183455.3975 -149056.5633 299.7101 -91.7299 -61.3062 557634.9321 -11.9216 -12.0407 PRESSURE: 4218000 -279.736 80.9845 -84.8237 80.9852 -56.0782 226.235 -84.8211 226.234 -186.255 GPRESSURE: 4218000 -242.336 87.2884 -34.9442 5.9846 -5.01605 261.755 -141.68 245.04 -185.452 PRESSAVG: 4218000 34.828 -23.1862 -2.79176 -23.1863 32.9175 117.723 -2.7917 117.723 -76.077 GPRESSAVG: 4218000 33.9241 -20.1735 -2.28263 -23.9007 32.862 120.023 -2.33655 116.596 -75.3018 TIMING: 4218000 CPU: 12257.3, 0.00289469/step Wall: 12257.3, 0.00289469/step, 0.628792 hours remaining, 207.238281 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: 4218000 770.4591 2124.8040 1941.0241 109.5636 -205855.9041 17661.7501 0.0000 0.0000 34104.0654 -149144.2379 297.8393 -183248.3032 -149049.7405 298.9992 -174.0228 -144.2682 557748.6246 -2.7771 -2.8386 PRESSURE: 4218200 -88.5831 -54.4608 78.9867 -54.4614 -106.427 148.131 78.9858 148.131 195.658 GPRESSURE: 4218200 -36.2052 -63.9241 78.1432 -17.3284 -104.141 65.1779 111.791 72.7941 229.957 PRESSAVG: 4218200 78.725 -49.5402 43.9098 -49.5402 -32.2884 61.3221 43.9098 61.3221 -26.6315 GPRESSAVG: 4218200 80.4014 -50.4399 46.1986 -48.4094 -32.6613 58.9829 42.5538 61.928 -27.6679 TIMING: 4218200 CPU: 12257.9, 0.00289068/step Wall: 12257.9, 0.00289068/step, 0.62776 hours remaining, 207.238281 MB of memory in use. ENERGY: 4218200 762.8701 2106.8137 1948.5500 104.6851 -206446.5480 17939.0654 0.0000 0.0000 34152.7840 -149431.7798 298.2648 -183584.5638 -149335.5236 299.1740 0.2157 29.8704 555261.4699 6.6017 6.6907 PRESSURE: 4218400 130.355 -19.6408 -16.2949 -19.64 -64.887 -122.025 -16.2948 -122.025 48.6343 GPRESSURE: 4218400 176.26 41.4242 87.3496 10.3659 -34.6123 -151.03 43.1812 -57.948 70.2761 PRESSAVG: 4218400 31.9073 -26.3425 23.6219 -26.3425 31.9355 -21.2249 23.6219 -21.2248 -55.399 GPRESSAVG: 4218400 31.4692 -25.5981 21.8705 -28.8524 32.5245 -22.2884 24.4437 -23.06 -55.4589 TIMING: 4218400 CPU: 12258.5, 0.00288989/step Wall: 12258.5, 0.00288989/step, 0.627428 hours remaining, 207.238281 MB of memory in use. ENERGY: 4218400 775.8843 2098.7294 1938.5166 111.5281 -206469.4383 17977.5923 0.0000 0.0000 34195.9705 -149371.2171 298.6419 -183567.1876 -149274.8246 298.6994 38.0342 70.6414 558294.2870 2.8146 2.8449 PRESSURE: 4218600 -16.2094 196.207 25.4554 196.207 -75.1772 141.145 25.4546 141.146 -185.217 GPRESSURE: 4218600 11.8283 117.1 11.7917 178.349 -72.4962 79.5943 -50.5493 170.31 -116.43 PRESSAVG: 4218600 30.7885 -10.2769 56.0752 -10.2769 -59.6966 9.0041 56.0752 9.00405 6.49234 GPRESSAVG: 4218600 29.244 -13.323 56.9885 -7.89527 -58.4114 10.2301 55.305 12.7556 6.99021 TIMING: 4218600 CPU: 12259.1, 0.00290766/step Wall: 12259.1, 0.00290766/step, 0.631124 hours remaining, 207.238281 MB of memory in use. ENERGY: 4218600 703.2534 2133.6243 1996.4924 106.9867 -206130.1266 17695.2360 0.0000 0.0000 34174.3449 -149320.1891 298.4531 -183494.5339 -149231.2754 299.1089 -92.2013 -59.0326 558377.2815 -7.4719 -7.3924 PRESSURE: 4218800 121.811 166.427 133.355 166.425 154.621 12.4643 133.355 12.4664 8.74225 GPRESSURE: 4218800 146.472 132.719 200.051 126.976 171.9 98.9848 84.8203 -28.1357 47.2555 PRESSAVG: 4218800 -23.672 24.6849 15.1599 24.6849 -24.2686 40.2542 15.1598 40.2543 13.4759 GPRESSAVG: 4218800 -23.501 26.17 15.5208 24.6951 -25.2872 39.0625 15.4607 38.4758 14.2521 TIMING: 4218800 CPU: 12259.6, 0.00292524/step Wall: 12259.6, 0.00292524/step, 0.634777 hours remaining, 207.238281 MB of memory in use. ENERGY: 4218800 689.7030 2111.9774 1968.2816 121.8827 -206813.1297 18148.0848 0.0000 0.0000 34356.0128 -149417.1874 300.0396 -183773.2002 -149320.9865 298.9257 95.0579 121.8757 558627.5502 -11.4882 -11.5120 PRESSURE: 4219000 -243.225 -14.4846 102.569 -14.485 3.43591 -2.99542 102.569 -2.99436 -108.532 GPRESSURE: 4219000 -218.911 65.1187 82.5256 -71.2534 125.511 59.2254 46.2978 58.6407 -145.041 PRESSAVG: 4219000 1.63177 45.5475 73.6261 45.5475 -36.4401 -32.9621 73.6261 -32.9621 47.1719 GPRESSAVG: 4219000 3.25037 45.8464 72.1487 44.7358 -36.5096 -31.822 72.899 -32.1956 45.6376 TIMING: 4219000 CPU: 12260.2, 0.00291892/step Wall: 12260.2, 0.00291892/step, 0.633242 hours remaining, 207.238281 MB of memory in use. ENERGY: 4219000 773.7659 2104.1331 1961.8186 112.9390 -206306.8316 17883.0835 0.0000 0.0000 34180.7571 -149290.3344 298.5091 -183471.0915 -149192.4456 298.9312 -116.1068 -79.4803 558503.0762 4.1212 4.1261 PRESSURE: 4219200 -331.991 -16.4442 124.046 -16.4452 -0.162999 106.888 124.046 106.888 111.084 GPRESSURE: 4219200 -293.058 -10.0146 133.431 -2.47084 27.089 82.5604 127.644 103.973 147.776 PRESSAVG: 4219200 0.889152 60.5611 -9.98261 60.5611 52.2377 22.3178 -9.98266 22.3177 -33.0366 GPRESSAVG: 4219200 0.607277 60.0882 -9.52371 60.9982 51.678 24.0119 -11.0824 22.8067 -32.4824 TIMING: 4219200 CPU: 12260.8, 0.00289139/step Wall: 12260.8, 0.00289139/step, 0.62711 hours remaining, 207.238281 MB of memory in use. ENERGY: 4219200 751.0799 2100.2878 1956.1210 111.7865 -206427.6640 17875.5313 0.0000 0.0000 34305.3674 -149327.4903 299.5973 -183632.8577 -149229.8194 298.5383 -73.6901 -39.3974 557518.3186 6.6967 6.6010 PRESSURE: 4219400 54.0595 -76.3788 -14.5897 -76.3779 -24.0424 108.441 -14.5914 108.44 -111.771 GPRESSURE: 4219400 136.668 -32.1362 5.71933 -112.39 3.83679 123.499 39.5604 19.7096 -127.97 PRESSAVG: 4219400 47.3926 -25.1142 -31.4647 -25.1142 17.1628 52.2739 -31.4647 52.2739 -67.0686 GPRESSAVG: 4219400 46.6407 -24.671 -32.6532 -25.6121 18.2844 52.6374 -31.3119 49.7139 -67.8456 TIMING: 4219400 CPU: 12261.4, 0.00288841/step Wall: 12261.4, 0.00288841/step, 0.626303 hours remaining, 207.238281 MB of memory in use. ENERGY: 4219400 745.8377 2094.7638 1949.4323 116.3105 -206137.8035 17700.3355 0.0000 0.0000 34063.6226 -149467.5011 297.4861 -183531.1237 -149365.4979 298.3899 -27.2513 4.1783 557744.6094 -0.8377 -0.9735 PRESSURE: 4219600 109.798 -88.7108 80.2069 -88.7112 -219.502 105.248 80.2069 105.246 11.148 GPRESSURE: 4219600 180.86 -37.3077 58.5125 -153.685 -260.581 73.336 134.937 157.5 71.7748 PRESSAVG: 4219600 106.182 10.7256 -22.1128 10.7256 -35.1741 19.8516 -22.1128 19.8515 -79.619 GPRESSAVG: 4219600 106.443 9.43451 -21.9513 13.5593 -36.0969 19.6807 -21.4109 19.3218 -78.8804 TIMING: 4219600 CPU: 12262, 0.00287867/step Wall: 12262, 0.00287867/step, 0.624031 hours remaining, 207.238281 MB of memory in use. ENERGY: 4219600 725.3348 2140.8689 1938.0830 112.3302 -206240.3727 17926.5049 0.0000 0.0000 34056.1318 -149341.1191 297.4207 -183397.2510 -149244.2450 298.5165 -32.8520 -2.6485 557748.5573 -2.8703 -2.8449 PRESSURE: 4219800 -464.709 133.763 -157.583 133.763 -287.834 -152.656 -157.583 -152.656 -243.939 GPRESSURE: 4219800 -435.265 92.3112 -181.92 113.155 -249.534 -122.841 -183.339 -157.557 -224.849 PRESSAVG: 4219800 53.6786 -13.404 26.6101 -13.4041 -18.9075 -36.2918 26.61 -36.2918 -1.47794 GPRESSAVG: 4219800 53.4901 -13.6868 25.1751 -14.8036 -17.3841 -36.6443 27.7505 -34.7879 -2.51714 TIMING: 4219800 CPU: 12262.5, 0.0028845/step Wall: 12262.5, 0.0028845/step, 0.625135 hours remaining, 207.238281 MB of memory in use. ENERGY: 4219800 799.0160 2069.8363 1953.7363 106.1993 -206289.5179 17754.5953 0.0000 0.0000 34235.6809 -149370.4538 298.9887 -183606.1347 -149276.2150 299.2821 -332.1608 -303.2162 559074.7565 11.0977 11.1963 PRESSURE: 4220000 -228.4 27.0128 66.4033 27.0134 -30.6585 5.10896 66.4025 5.10833 30.0965 GPRESSURE: 4220000 -131.662 43.3832 79.1298 88.1573 -41.3335 -25.2031 -20.2995 97.9243 56.0426 PRESSAVG: 4220000 7.76565 33.1305 3.91294 33.1305 14.5351 23.5603 3.91293 23.5603 -36.1864 GPRESSAVG: 4220000 8.50509 33.6952 4.9895 33.1102 13.5649 23.7391 4.22217 24.2299 -35.6747 TIMING: 4220000 CPU: 12263.1, 0.00287197/step Wall: 12263.1, 0.00287197/step, 0.622261 hours remaining, 207.238281 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: 4220000 759.7885 2092.7349 1968.8952 126.4386 -206284.8549 17746.2477 0.0000 0.0000 34097.0430 -149493.7069 297.7780 -183590.7499 -149392.2869 299.0873 -76.3207 -38.9844 557443.0179 -4.6286 -4.5349 PRESSURE: 4220200 119.743 130.145 -58.8498 130.144 -63.5929 93.4519 -58.8498 93.4506 72.6733 GPRESSURE: 4220200 116.592 176.667 -93.8975 -56.4477 27.1193 78.8593 -76.9744 129.708 71.4771 PRESSAVG: 4220200 61.0599 8.28195 15.9581 8.28193 4.62313 18.9441 15.9582 18.944 -28.5238 GPRESSAVG: 4220200 61.1189 8.83151 16.309 8.57924 4.63451 17.9112 15.4595 17.5132 -28.7199 TIMING: 4220200 CPU: 12263.7, 0.00286729/step Wall: 12263.7, 0.00286729/step, 0.621088 hours remaining, 207.238281 MB of memory in use. ENERGY: 4220200 725.5913 2112.2854 1958.6761 122.7601 -206558.4794 17906.6784 0.0000 0.0000 34294.8356 -149437.6526 299.5053 -183732.4882 -149334.6416 298.4399 42.9411 71.7296 556688.2852 12.3864 12.3445 LDB: ============= START OF LOAD BALANCING ============== 12267.1 LDB: ============== END OF LOAD BALANCING =============== 12267.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12267.2 LDB: ============= START OF LOAD BALANCING ============== 12267.4 LDB: Largest compute 4849 load 0.026647 is 22.6% of average load 0.117813 LDB: Average compute 0.001732 is 1.5% of average load 0.117813 LDB: TIME 12267.4 LOAD: AVG 0.117813 MAX 0.177904 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.578 MB LDB: TIME 12267.4 LOAD: AVG 0.117813 MAX 0.177904 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: TIME 12267.4 LOAD: AVG 0.117813 MAX 0.177904 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12267.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12267.4 PRESSURE: 4220400 -169.79 0.602438 -158.527 0.601568 -98.2386 -153.17 -158.527 -153.171 186.15 GPRESSURE: 4220400 -123.719 -41.9821 -82.3444 77.6969 -86.9397 -114.443 -111.158 -156.257 227.237 PRESSAVG: 4220400 -17.8159 44.5486 23.2183 44.5487 41.2789 -37.2189 23.2182 -37.2189 21.312 GPRESSAVG: 4220400 -17.4836 45.6427 23.4296 44.6027 42.1881 -36.1991 22.979 -36.8857 20.1384 TIMING: 4220400 CPU: 12264.3, 0.00292676/step Wall: 12264.3, 0.00292676/step, 0.633805 hours remaining, 207.632812 MB of memory in use. ENERGY: 4220400 761.8849 2092.7967 1905.4438 116.0892 -206173.7479 17813.7939 0.0000 0.0000 34001.6932 -149482.0462 296.9452 -183483.7394 -149385.8821 298.7395 -27.2930 5.5259 556639.0036 14.9250 14.9476 PRESSURE: 4220600 -80.8164 212.92 24.7273 212.921 27.1475 -13.1675 24.7285 -13.1662 219.813 GPRESSURE: 4220600 13.965 210.945 96.708 248.806 41.529 -57.0225 -36.4005 67.8996 214.617 PRESSAVG: 4220600 -12.4123 2.8318 23.1098 2.83175 -39.0942 -64.994 23.1098 -64.994 64.4954 GPRESSAVG: 4220600 -12.4737 3.44827 21.7414 0.480363 -39.9649 -66.5438 23.7336 -62.7436 65.272 TIMING: 4220600 CPU: 12264.8, 0.00287105/step Wall: 12264.8, 0.00287105/step, 0.621583 hours remaining, 207.632812 MB of memory in use. ENERGY: 4220600 752.3188 2071.9502 1947.9884 115.9085 -206630.1843 18215.4426 0.0000 0.0000 34185.0063 -149341.5696 298.5462 -183526.5758 -149250.0659 298.7280 55.3812 90.0368 557266.0505 4.3297 4.2778 PRESSURE: 4220800 110.841 -40.1959 -12.331 -40.1963 -33.1709 135.82 -12.3312 135.821 85.5342 GPRESSURE: 4220800 156.086 -69.7128 25.0203 2.85682 -30.6802 67.1264 -196.462 66.0271 140.445 PRESSAVG: 4220800 23.1854 50.1809 -27.9092 50.181 -48.1341 -63.2087 -27.9093 -63.2088 43.2101 GPRESSAVG: 4220800 22.65 48.732 -26.2869 50.7572 -48.0148 -64.3673 -28.6444 -64.3409 43.2006 TIMING: 4220800 CPU: 12265.4, 0.00288068/step Wall: 12265.4, 0.00288068/step, 0.623507 hours remaining, 207.632812 MB of memory in use. ENERGY: 4220800 717.3413 2077.4827 1964.8336 122.1182 -206440.7864 17955.6444 0.0000 0.0000 34258.0604 -149345.3058 299.1842 -183603.3662 -149255.6881 299.1130 54.4013 88.6170 555730.0786 6.0871 5.9453 PRESSURE: 4221000 90.4311 -53.4798 -32.8197 -53.4789 -222.035 -88.0907 -32.8197 -88.0908 50.2376 GPRESSURE: 4221000 126.905 -122.839 -129.807 -124.244 -98.9861 -38.9501 -44.1002 -69.1016 -12.6238 PRESSAVG: 4221000 57.1092 -32.8472 -32.6329 -32.8474 -55.2937 -41.5189 -32.633 -41.5189 33.7718 GPRESSAVG: 4221000 57.0305 -33.8987 -32.5588 -32.5264 -54.6041 -39.7674 -32.9827 -41.874 33.6627 TIMING: 4221000 CPU: 12266, 0.0028905/step Wall: 12266, 0.0028905/step, 0.625472 hours remaining, 207.632812 MB of memory in use. ENERGY: 4221000 759.3989 2129.6404 1943.6253 99.4464 -206348.7085 17841.0728 0.0000 0.0000 34408.5062 -149167.0185 300.4980 -183575.5247 -149072.5504 299.8535 -27.1220 5.0985 558213.4964 11.8624 12.0297 PRESSURE: 4221200 -106.305 153.352 26.227 153.353 -77.4855 54.1531 26.2274 54.1559 -202.292 GPRESSURE: 4221200 -107.025 116.013 42.8349 140.914 -67.1831 19.3438 64.2974 16.2746 -106.543 PRESSAVG: 4221200 87.4732 20.4456 -3.99973 20.4456 -87.8331 17.8774 -3.99969 17.8773 11.38 GPRESSAVG: 4221200 87.8984 22.4043 -4.60136 19.8321 -88.4474 17.6512 -3.59225 17.565 12.3061 TIMING: 4221200 CPU: 12266.6, 0.00287658/step Wall: 12266.6, 0.00287658/step, 0.622301 hours remaining, 207.632812 MB of memory in use. ENERGY: 4221200 728.6613 2090.2248 1976.2261 105.7030 -205745.7529 17641.0229 0.0000 0.0000 34199.1965 -149004.7184 298.6701 -183203.9149 -148907.1265 300.4938 -128.6941 -93.5837 559005.2155 3.6734 3.9190 PRESSURE: 4221400 -78.8541 -91.7684 82.693 -91.7686 -99.1276 56.9175 82.6923 56.9186 -11.8936 GPRESSURE: 4221400 -23.8518 -93.2669 102.769 -115.837 -26.4219 104.948 56.9781 83.7153 -38.5731 PRESSAVG: 4221400 7.11392 -35.6719 -1.07139 -35.6719 -56.7136 -11.6069 -1.07143 -11.6068 73.3978 GPRESSAVG: 4221400 7.03717 -35.3341 -2.1779 -35.8232 -55.1392 -10.0661 0.509109 -12.0218 72.3074 TIMING: 4221400 CPU: 12267.2, 0.00288822/step Wall: 12267.2, 0.00288822/step, 0.624658 hours remaining, 207.632812 MB of memory in use. ENERGY: 4221400 744.2754 2051.4638 1941.3742 120.5427 -205976.2762 17706.2459 0.0000 0.0000 34351.0997 -149061.2744 299.9967 -183412.3741 -148972.4187 299.6807 -63.2918 -29.6156 557300.1512 7.9327 8.0684 PRESSURE: 4221600 -29.6921 104.082 66.6634 104.082 8.14398 -45.5345 66.6641 -45.5348 -160.427 GPRESSURE: 4221600 38.1929 135.741 39.8393 115.028 19.3001 -32.9768 105.397 -101.825 -143.417 PRESSAVG: 4221600 -72.6038 -65.9937 28.3266 -65.9938 25.924 -31.0676 28.3267 -31.0676 -22.8982 GPRESSAVG: 4221600 -71.7745 -66.7981 28.3085 -65.0035 24.4466 -33.6972 26.2141 -31.1747 -22.1377 TIMING: 4221600 CPU: 12267.7, 0.00288553/step Wall: 12267.7, 0.00288553/step, 0.623916 hours remaining, 207.632812 MB of memory in use. ENERGY: 4221600 764.6375 2078.0031 1946.0449 104.2625 -206279.8580 18047.8618 0.0000 0.0000 34189.4741 -149149.5742 298.5852 -183339.0483 -149047.5067 299.1794 -60.6584 -28.6414 558599.7067 -23.1927 -23.1552 PRESSURE: 4221800 181.189 232.871 -76.9027 232.871 55.608 -53.4469 -76.9034 -53.4475 93.1886 GPRESSURE: 4221800 225.257 161.81 -9.92647 281.325 34.6136 -74.7527 -135.733 23.1035 152.381 PRESSAVG: 4221800 -29.5679 19.6556 -32.7471 19.6556 56.2795 -25.4836 -32.7473 -25.4835 -0.186883 GPRESSAVG: 4221800 -30.1869 19.3118 -32.6064 19.9803 57.1365 -23.4484 -32.6151 -26.058 -0.60161 TIMING: 4221800 CPU: 12268.3, 0.00288499/step Wall: 12268.3, 0.00288499/step, 0.623639 hours remaining, 207.632812 MB of memory in use. ENERGY: 4221800 748.3837 2127.7440 1935.3208 116.3237 -206216.8010 17999.6279 0.0000 0.0000 34334.9324 -148954.4685 299.8555 -183289.4009 -148856.4379 299.2849 109.9951 137.4174 557432.3530 8.8416 8.7827 PRESSURE: 4222000 89.8137 109.746 58.6722 109.747 -7.4594 137.632 58.6721 137.633 40.2418 GPRESSURE: 4222000 150.66 109.13 22.5183 88.6504 48.8183 100.526 96.3262 96.2868 25.2569 PRESSAVG: 4222000 8.3472 21.6129 -52.3039 21.6129 -38.1959 17.9283 -52.3039 17.9284 52.9546 GPRESSAVG: 4222000 8.79505 21.4158 -51.4896 21.5165 -37.5477 19.8283 -51.9105 16.1859 52.2857 TIMING: 4222000 CPU: 12268.9, 0.00290966/step Wall: 12268.9, 0.00290966/step, 0.62881 hours remaining, 207.632812 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: 4222000 758.3825 2072.0800 1969.0689 108.9694 -206038.3764 17757.7020 0.0000 0.0000 34424.1671 -148948.0065 300.6348 -183372.1736 -148846.5714 300.2401 40.8654 74.9117 555743.7154 7.7020 7.8444 PRESSURE: 4222200 -110.737 127.821 -37.9429 127.821 -112.042 39.5059 -37.942 39.5056 -157.923 GPRESSURE: 4222200 -59.0855 163.871 -16.4719 64.4037 -86.0376 52.6587 -81.9582 -11.625 -119.732 PRESSAVG: 4222200 -77.2174 20.6486 -7.36485 20.6486 8.50986 31.1218 -7.36473 31.1218 63.3089 GPRESSAVG: 4222200 -77.36 21.4318 -7.77246 20.8247 8.72016 29.2226 -7.06746 32.0406 63.9117 TIMING: 4222200 CPU: 12269.5, 0.00288698/step Wall: 12269.5, 0.00288698/step, 0.623747 hours remaining, 207.632812 MB of memory in use. ENERGY: 4222200 739.6943 2104.6864 1937.6377 117.5838 -205788.5398 17484.4757 0.0000 0.0000 34301.9458 -149102.5162 299.5674 -183404.4620 -149006.6687 299.7017 -126.9007 -88.2850 558240.8576 -1.7996 -1.5760 PRESSURE: 4222400 -54.1723 -82.413 38.5771 -82.4133 -139.461 -61.3008 38.5765 -61.2979 -64.9116 GPRESSURE: 4222400 -27.3069 -117.482 65.3949 -80.4943 -74.679 -113.027 99.921 -47.9423 -68.1386 PRESSAVG: 4222400 -55.8123 -2.21671 -19.4838 -2.21673 18.3579 34.2404 -19.4837 34.2403 62.4742 GPRESSAVG: 4222400 -56.3729 -3.91498 -19.4925 -1.02341 17.5745 35.2453 -19.5206 32.123 63.0286 TIMING: 4222400 CPU: 12270, 0.00286814/step Wall: 12270, 0.00286814/step, 0.619519 hours remaining, 207.632812 MB of memory in use. ENERGY: 4222400 754.8038 2101.7428 1947.2523 114.1744 -206126.5375 17776.8059 0.0000 0.0000 34358.0030 -149073.7552 300.0570 -183431.7582 -148976.5951 299.5702 -86.1816 -56.7082 558005.1687 8.3399 8.0767 PRESSURE: 4222600 -43.7309 -0.730097 108.948 -0.729253 10.0283 0.930429 108.948 0.929742 -221.203 GPRESSURE: 4222600 -23.5254 24.2362 72.2394 -24.3221 47.5298 76.2826 80.3369 -14.5105 -181.053 PRESSAVG: 4222600 -25.6368 -40.4658 26.7607 -40.4658 20.9837 13.4058 26.7606 13.4059 5.29132 GPRESSAVG: 4222600 -26.5875 -38.557 26.4499 -41.4242 21.8831 12.6084 25.5894 15.8873 4.77338 TIMING: 4222600 CPU: 12270.6, 0.00288966/step Wall: 12270.6, 0.00288966/step, 0.624005 hours remaining, 207.632812 MB of memory in use. ENERGY: 4222600 750.2384 2112.8443 1967.0020 100.5427 -206219.6994 17665.4354 0.0000 0.0000 34533.9108 -149089.7258 301.5932 -183623.6366 -148989.0158 300.0650 -84.9684 -52.3494 556463.9436 0.2127 0.0230 PRESSURE: 4222800 -179.257 3.28865 258.848 3.2889 38.4066 168.992 258.847 168.99 29.2598 GPRESSURE: 4222800 -121.062 7.49537 274.201 -59.8712 41.5812 186.303 274.053 170.442 58.3189 PRESSAVG: 4222800 -12.4024 13.0469 -7.56996 13.0468 17.4726 40.2018 -7.56998 40.2018 14.7064 GPRESSAVG: 4222800 -12.7349 13.3899 -8.87926 14.0893 16.6857 38.5423 -8.37129 41.4225 16.1079 TIMING: 4222800 CPU: 12271.2, 0.00291342/step Wall: 12271.2, 0.00291342/step, 0.628974 hours remaining, 207.632812 MB of memory in use. ENERGY: 4222800 727.7566 2113.0205 1987.8054 111.5967 -205509.9980 17580.6219 0.0000 0.0000 34198.3484 -148790.8486 298.6627 -182989.1969 -148691.9954 299.9676 -37.1970 -7.0541 557944.2000 6.5922 6.6862 PRESSURE: 4223000 -236.644 -145.195 -4.97684 -145.195 -160.51 81.005 -4.97633 81.0043 -200.306 GPRESSURE: 4223000 -183.044 -172.098 -31.2682 -61.2386 -181.227 107.775 17.8546 96.3021 -131.386 PRESSAVG: 4223000 -26.5643 13.6151 -19.9338 13.6151 40.8172 8.91857 -19.9338 8.91863 -25.1787 GPRESSAVG: 4223000 -26.5283 12.0427 -17.3298 13.3961 40.2162 11.0305 -18.9746 8.2743 -24.2178 TIMING: 4223000 CPU: 12271.8, 0.00287744/step Wall: 12271.8, 0.00287744/step, 0.621048 hours remaining, 207.835938 MB of memory in use. ENERGY: 4223000 752.3713 2094.7324 1971.8130 120.8255 -205348.1166 17422.6884 0.0000 0.0000 34348.4446 -148637.2414 299.9735 -182985.6860 -148542.3317 300.4641 -199.1533 -165.2189 559649.8829 -3.6419 -3.5099 PRESSURE: 4223200 -105.576 17.4992 83.5689 17.5002 -82.1898 80.7756 83.5689 80.7734 273.931 GPRESSURE: 4223200 -31.6951 -14.4834 122.847 -38.5733 -43.4835 139.869 94.7546 106.165 253.126 PRESSAVG: 4223200 -26.5898 17.7572 3.76354 17.7572 23.9983 30.5716 3.76355 30.5717 17.4006 GPRESSAVG: 4223200 -24.6039 18.3484 0.432815 17.3511 24.5681 30.5139 5.9295 29.878 15.1658 TIMING: 4223200 CPU: 12272.4, 0.00289618/step Wall: 12272.4, 0.00289618/step, 0.624931 hours remaining, 207.835938 MB of memory in use. ENERGY: 4223200 703.2453 2134.3067 1952.0588 109.0500 -205660.6316 17808.8972 0.0000 0.0000 34468.8109 -148484.2627 301.0247 -182953.0736 -148389.1774 300.6904 28.7217 59.3158 559946.3566 4.9364 5.0434 PRESSURE: 4223400 104.942 -38.4467 -65.5316 -38.4461 54.5391 -45.3883 -65.533 -45.3859 281.723 GPRESSURE: 4223400 179.184 -100.06 16.3737 25.5083 68.4667 -41.3927 -107.814 -65.2008 278.537 PRESSAVG: 4223400 -51.4293 38.142 22.8739 38.1421 7.68703 31.5603 22.8739 31.5603 54.0571 GPRESSAVG: 4223400 -51.4192 38.3832 25.3003 37.3292 7.27021 31.2473 20.0131 31.0996 53.242 TIMING: 4223400 CPU: 12272.9, 0.00290202/step Wall: 12272.9, 0.00290202/step, 0.626031 hours remaining, 207.835938 MB of memory in use. ENERGY: 4223400 749.6677 2096.6259 1976.6058 117.8234 -205951.3280 18012.8306 0.0000 0.0000 34459.7164 -148538.0581 300.9453 -182997.7745 -148449.1203 300.8550 147.0679 175.3957 558689.2266 3.4383 3.0310 PRESSURE: 4223600 227.351 70.4282 34.6716 70.4283 28.105 -46.2247 34.6718 -46.2232 -88.4381 GPRESSURE: 4223600 256.526 -1.9914 -31.4548 45.6191 79.1793 50.1119 28.9698 -105.834 -81.5874 PRESSAVG: 4223600 -14.7725 0.3368 66.0776 0.33681 -38.1809 -64.897 66.0776 -64.897 44.7678 GPRESSAVG: 4223600 -15.5992 0.483974 66.5079 2.0445 -37.893 -65.1514 64.9885 -63.2793 45.3796 TIMING: 4223600 CPU: 12273.5, 0.00288654/step Wall: 12273.5, 0.00288654/step, 0.622531 hours remaining, 207.835938 MB of memory in use. ENERGY: 4223600 703.4316 2112.0995 1937.2479 111.9347 -205977.5504 17739.9918 0.0000 0.0000 34478.7402 -148894.1048 301.1114 -183372.8450 -148793.9714 300.1818 55.6728 84.7058 558195.1595 -2.7285 -2.7042 PRESSURE: 4223800 83.8997 -97.4889 167.636 -97.4895 47.4768 -71.9738 167.637 -71.9733 106.404 GPRESSURE: 4223800 111.711 -49.6417 194.503 -205.433 71.4075 -72.4095 190.644 -105.827 160.133 PRESSAVG: 4223800 -27.0945 -21.5198 6.82631 -21.5197 9.02002 -20.9938 6.82627 -20.9938 22.9918 GPRESSAVG: 4223800 -26.3964 -22.3127 5.59479 -21.9574 9.3481 -22.0036 10.0744 -19.5465 22.2546 TIMING: 4223800 CPU: 12274.1, 0.00288239/step Wall: 12274.1, 0.00288239/step, 0.621475 hours remaining, 207.835938 MB of memory in use. ENERGY: 4223800 772.1221 2073.3224 1945.8066 125.3451 -206155.4618 17953.1512 0.0000 0.0000 34273.7103 -149012.0042 299.3208 -183285.7145 -148907.9010 299.7660 79.2603 114.4173 557670.3241 1.6391 1.7354 PRESSURE: 4224000 -171.7 193.397 -45.8707 193.396 -204.232 -9.91102 -45.87 -9.91119 -114.666 GPRESSURE: 4224000 -131.523 69.3982 46.2122 178.758 -162.529 -67.9891 47.5544 31.5066 -95.1545 PRESSAVG: 4224000 -28.6726 -15.4771 13.8719 -15.4771 -6.65899 -5.36938 13.8717 -5.36928 -0.242227 GPRESSAVG: 4224000 -30.3437 -16.2397 14.7297 -15.9812 -7.15474 -5.58819 13.4561 -7.60601 1.78708 TIMING: 4224000 CPU: 12274.7, 0.00288671/step Wall: 12274.7, 0.00288671/step, 0.622246 hours remaining, 207.835938 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: 4224000 733.4371 2067.3424 1986.4734 122.9505 -205681.1986 17474.9050 0.0000 0.0000 34397.4770 -148898.6131 300.4017 -183296.0901 -148808.9223 299.9183 -163.5327 -129.7355 557555.7491 -11.8579 -11.9038 PRESSURE: 4224200 -191.205 -21.0374 -169.279 -21.0357 -155.355 -122.309 -169.28 -122.309 21.5376 GPRESSURE: 4224200 -150.539 -34.1081 -170.524 -10.6449 -86.663 -128.526 -179.501 -94.6995 11.2071 PRESSAVG: 4224200 3.05642 -5.48638 -8.09295 -5.48631 4.20263 -20.1979 -8.09302 -20.198 -15.9159 GPRESSAVG: 4224200 3.12355 -3.0091 -9.0403 -4.87912 4.98367 -18.1536 -9.23494 -19.624 -16.8758 TIMING: 4224200 CPU: 12275.2, 0.00287989/step Wall: 12275.2, 0.00287989/step, 0.620617 hours remaining, 207.835938 MB of memory in use. ENERGY: 4224200 752.2231 2084.7281 1920.7819 124.7941 -205862.5438 17710.2602 0.0000 0.0000 34322.7983 -148946.9581 299.7495 -183269.7564 -148852.3375 300.1293 -108.3409 -75.3316 558088.8313 -2.8856 -2.9228 LDB: ============= START OF LOAD BALANCING ============== 12278.7 LDB: ============== END OF LOAD BALANCING =============== 12278.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12278.7 LDB: ============= START OF LOAD BALANCING ============== 12279 LDB: Largest compute 4848 load 0.027774 is 23.6% of average load 0.117801 LDB: Average compute 0.001745 is 1.5% of average load 0.117801 LDB: TIME 12279 LOAD: AVG 0.117801 MAX 0.179959 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.906 MB LDB: TIME 12279 LOAD: AVG 0.117801 MAX 0.179959 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: TIME 12279 LOAD: AVG 0.117801 MAX 0.179959 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.977 MB LDB: ============== END OF LOAD BALANCING =============== 12279 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12279 PRESSURE: 4224400 -26.4434 25.6829 145.595 25.6815 -258.695 -130.835 145.595 -130.836 65.4049 GPRESSURE: 4224400 -34.078 36.5798 129.531 10.8423 -223.935 -164.988 149.928 -130.15 123.479 PRESSAVG: 4224400 66.258 -19.3376 13.6758 -19.3377 7.9328 37.2537 13.6758 37.2537 -41.2288 GPRESSAVG: 4224400 66.707 -20.3673 15.8959 -20.1618 7.78 36.347 12.5416 36.0611 -41.4289 TIMING: 4224400 CPU: 12275.8, 0.00293487/step Wall: 12275.8, 0.00293487/step, 0.632302 hours remaining, 206.777344 MB of memory in use. ENERGY: 4224400 776.3786 2038.6551 1949.6494 99.2072 -205877.5294 17642.5760 0.0000 0.0000 34520.3698 -148850.6933 301.4750 -183371.0631 -148752.3315 300.2830 -73.2446 -44.8446 557416.7758 10.9874 11.0194 PRESSURE: 4224600 17.3478 43.354 29.657 43.354 -46.5336 24.81 29.6572 24.812 376.557 GPRESSURE: 4224600 43.9978 -31.0107 49.1485 80.3712 -15.6184 -66.0719 25.5522 102.896 421.421 PRESSAVG: 4224600 9.90584 28.3087 -9.53026 28.3087 17.2021 -23.8117 -9.53026 -23.8116 -65.1522 GPRESSAVG: 4224600 9.68376 27.2697 -11.9575 28.1671 17.3136 -23.7524 -7.43766 -22.9383 -64.9839 TIMING: 4224600 CPU: 12276.4, 0.00289445/step Wall: 12276.4, 0.00289445/step, 0.623433 hours remaining, 206.914062 MB of memory in use. ENERGY: 4224600 716.7503 2033.2133 1956.0380 102.1085 -205806.7486 17865.3812 0.0000 0.0000 34338.8690 -148794.3884 299.8899 -183133.2574 -148693.7046 300.2949 115.7905 149.9336 557200.0964 -12.6814 -12.6622 PRESSURE: 4224800 -23.3841 -55.3397 167.019 -55.3407 54.0138 76.3757 167.018 76.3763 -385.127 GPRESSURE: 4224800 63.4031 -12.4303 192.713 -91.9771 54.5664 73.2165 120.897 63.1002 -367.787 PRESSAVG: 4224800 17.7567 -38.2254 24.9805 -38.2254 -6.46504 -21.7867 24.9805 -21.7867 -9.5526 GPRESSAVG: 4224800 17.0816 -36.6683 27.4382 -36.1289 -6.33855 -21.3625 24.3202 -21.7007 -8.50879 TIMING: 4224800 CPU: 12277, 0.00289153/step Wall: 12277, 0.00289153/step, 0.622643 hours remaining, 206.914062 MB of memory in use. ENERGY: 4224800 777.0621 2046.9721 1952.9064 122.5449 -205515.0930 17554.7582 0.0000 0.0000 34135.8787 -148924.9706 298.1171 -183060.8493 -148828.6758 299.0581 -118.1659 -83.2723 558095.2504 0.5797 0.7448 PRESSURE: 4225000 173.166 126.53 5.43734 126.528 -82.8216 29.346 5.43663 29.3452 -36.1471 GPRESSURE: 4225000 144.307 169.558 -13.6451 109.417 -43.4008 44.613 -41.7466 5.40721 42.1183 PRESSAVG: 4225000 33.2119 -48.6439 23.8403 -48.6439 8.75556 13.0332 23.8403 13.0332 -42.5346 GPRESSAVG: 4225000 33.7567 -48.1777 22.3745 -49.8508 8.98093 11.6716 22.8768 14.1531 -43.4112 TIMING: 4225000 CPU: 12277.6, 0.00290136/step Wall: 12277.6, 0.00290136/step, 0.624598 hours remaining, 206.914062 MB of memory in use. ENERGY: 4225000 723.2405 2149.9528 1951.7370 113.7817 -205837.1456 17662.4978 0.0000 0.0000 34423.5763 -148812.3596 300.6297 -183235.9359 -148720.2126 300.1473 18.0657 47.6749 558833.6566 -0.1891 -0.2245 PRESSURE: 4225200 151.693 74.2914 -69.2451 74.2926 -254.975 -133.625 -69.2454 -133.626 -3.80273 GPRESSURE: 4225200 167.787 130.147 -32.3459 61.8196 -187.65 -146.428 -86.8998 -70.8087 8.44995 PRESSAVG: 4225200 -53.3365 -16.1042 33.7082 -16.1042 11.3979 -80.3927 33.7082 -80.3925 85.4105 GPRESSAVG: 4225200 -54.0757 -17.099 34.2095 -15.5744 11.781 -80.7586 33.2537 -79.1662 86.1972 TIMING: 4225200 CPU: 12278.1, 0.00290592/step Wall: 12278.1, 0.00290592/step, 0.625418 hours remaining, 206.914062 MB of memory in use. ENERGY: 4225200 719.0393 2112.4422 1972.2122 107.7357 -205772.1400 17638.0440 0.0000 0.0000 34405.3407 -148817.3260 300.4704 -183222.6667 -148720.2402 300.3745 -35.6950 -3.8045 557797.0703 14.4907 14.6342 PRESSURE: 4225400 -162.302 32.0092 48.3598 32.0098 -93.7871 175.02 48.3605 175.019 22.4834 GPRESSURE: 4225400 -118.809 58.2896 -49.6504 36.5708 -54.1929 264.831 19.8593 99.298 35.775 PRESSAVG: 4225400 49.0185 5.76671 33.2697 5.76661 18.3291 -18.8983 33.2697 -18.8982 -40.387 GPRESSAVG: 4225400 49.7416 7.35607 32.1114 5.27038 18.6658 -17.5829 35.3578 -20.5855 -41.6998 TIMING: 4225400 CPU: 12278.7, 0.00289939/step Wall: 12278.7, 0.00289939/step, 0.623851 hours remaining, 206.914062 MB of memory in use. ENERGY: 4225400 701.3096 2200.1993 1961.9197 123.7347 -205621.1122 17534.2466 0.0000 0.0000 34265.2287 -148834.4736 299.2468 -183099.7024 -148730.1708 300.1405 -77.8684 -45.7424 557137.2324 8.9869 8.9025 PRESSURE: 4225600 101.788 -21.4202 55.2056 -21.4206 -50.9768 23.2988 55.206 23.2982 152.727 GPRESSURE: 4225600 106.258 130.088 -3.13378 -78.5275 -18.1442 66.5215 55.951 -84.1083 215.158 PRESSAVG: 4225600 19.395 -22.9533 8.74828 -22.9534 13.4329 59.043 8.74829 59.043 8.06586 GPRESSAVG: 4225600 18.4341 -23.2239 10.1011 -24.0719 13.1899 58.1214 8.26751 61.878 8.6586 TIMING: 4225600 CPU: 12279.3, 0.00288489/step Wall: 12279.3, 0.00288489/step, 0.620572 hours remaining, 206.914062 MB of memory in use. ENERGY: 4225600 710.4408 2132.4794 1955.9415 129.8134 -206022.6523 17821.4571 0.0000 0.0000 34388.4898 -148884.0304 300.3232 -183272.5202 -148789.0403 299.8573 67.8463 101.0906 556981.6190 13.6313 13.4275 PRESSURE: 4225800 78.7 -115.644 -73.5179 -115.644 241.078 -169.303 -73.5187 -169.303 -71.5822 GPRESSURE: 4225800 162.114 -112.835 -35.6739 -24.5339 209.615 -156.146 -62.9146 -152.74 -23.1376 PRESSAVG: 4225800 -12.3334 -36.0365 28.8736 -36.0365 13.8356 23.9505 28.8736 23.9504 13.5625 GPRESSAVG: 4225800 -10.9609 -35.8772 27.3937 -35.3977 12.3444 24.0735 27.4014 20.6749 13.8444 TIMING: 4225800 CPU: 12279.9, 0.00287881/step Wall: 12279.9, 0.00287881/step, 0.619105 hours remaining, 206.914062 MB of memory in use. ENERGY: 4225800 759.0314 2056.3405 1949.6707 115.7572 -206121.0477 17976.1573 0.0000 0.0000 34413.2256 -148850.8649 300.5393 -183264.0905 -148752.1748 300.2861 82.7320 116.1969 557702.9151 5.0216 5.0759 PRESSURE: 4226000 -364.666 137.101 110.664 137.101 12.928 -5.93143 110.664 -5.92919 -266.008 GPRESSURE: 4226000 -290.299 72.4475 51.2575 114.924 6.99908 -56.3205 -24.0989 100.867 -237.928 PRESSAVG: 4226000 58.1414 -3.57541 52.1615 -3.57533 -60.2004 -13.252 52.1615 -13.2521 -4.5444 GPRESSAVG: 4226000 58.0398 -4.97612 52.5717 -3.99776 -58.5152 -11.7799 52.4674 -11.4044 -5.41341 TIMING: 4226000 CPU: 12280.5, 0.00287489/step Wall: 12280.5, 0.00287489/step, 0.618101 hours remaining, 206.914062 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: 4226000 786.1543 2139.8252 1970.1817 119.5393 -205360.1973 17395.3229 0.0000 0.0000 34165.1572 -148784.0168 298.3728 -182949.1739 -148682.7186 300.5230 -205.9152 -173.7427 559149.5103 -2.2011 -1.9629 PRESSURE: 4226200 -95.9842 75.5911 162.926 75.5913 -119.106 -31.4247 162.927 -31.4245 134.649 GPRESSURE: 4226200 -22.4117 184.869 242.072 -32.8492 -135.019 -25.7327 135.023 -59.2168 178.498 PRESSAVG: 4226200 -25.2633 49.5146 24.6231 49.5146 8.84468 34.703 24.623 34.7031 23.2872 GPRESSAVG: 4226200 -24.6141 49.8611 25.4748 50.8874 9.60162 32.1869 23.289 34.4698 22.0061 TIMING: 4226200 CPU: 12281, 0.00288615/step Wall: 12281, 0.00288615/step, 0.620362 hours remaining, 206.914062 MB of memory in use. ENERGY: 4226200 741.3992 2147.5500 1956.1911 110.5325 -206020.9717 17844.2925 0.0000 0.0000 34418.4497 -148802.5568 300.5849 -183221.0065 -148700.4170 300.6882 -26.8138 7.0225 557942.5896 2.2895 2.3312 PRESSURE: 4226400 -332.99 54.5051 -20.7854 54.5049 -232.278 225.671 -20.7849 225.67 -455.094 GPRESSURE: 4226400 -302.174 147.632 -52.0946 107.409 -234.327 230.198 -7.99761 107.56 -394.109 PRESSAVG: 4226400 -11.9468 12.1269 -29.6061 12.1269 5.20611 -10.3402 -29.606 -10.3402 0.672578 GPRESSAVG: 4226400 -12.6136 12.465 -30.9086 11.7855 3.14068 -9.89541 -26.934 -10.3855 3.66203 TIMING: 4226400 CPU: 12281.6, 0.00288966/step Wall: 12281.6, 0.00288966/step, 0.620955 hours remaining, 206.914062 MB of memory in use. ENERGY: 4226400 753.5488 2078.4109 1938.6563 106.3835 -205174.1817 17028.1766 0.0000 0.0000 34378.8996 -148890.1060 300.2395 -183269.0056 -148788.4749 300.1950 -340.1205 -310.2032 557405.4503 -2.0227 -1.9370 PRESSURE: 4226600 -37.4735 98.0681 123.183 98.0686 -39.961 -130.32 123.182 -130.321 -168.865 GPRESSURE: 4226600 15.9631 159.183 80.5545 -0.676429 -44.0443 -90.312 204.839 -68.6029 -125.488 PRESSAVG: 4226600 -54.1862 9.0732 28.6376 9.07312 -6.02483 64.3609 28.6376 64.3607 58.9589 GPRESSAVG: 4226600 -53.6569 7.58667 30.3814 9.76319 -5.19878 63.8604 26.0723 63.9677 57.7765 TIMING: 4226600 CPU: 12282.2, 0.00289282/step Wall: 12282.2, 0.00289282/step, 0.621474 hours remaining, 206.914062 MB of memory in use. ENERGY: 4226600 750.6500 2127.6715 1927.9901 108.6477 -205763.7333 17603.7008 0.0000 0.0000 34312.5078 -148932.5655 299.6597 -183245.0733 -148837.6075 299.2291 -82.0998 -51.1896 556942.9662 -0.4174 -0.3597 PRESSURE: 4226800 27.5397 -7.79961 164.182 -7.79979 -187.134 -192.623 164.182 -192.623 -142.644 GPRESSURE: 4226800 28.4715 -70.2199 216.838 80.4339 -116.596 -125.35 108.998 -176.777 -111.296 PRESSAVG: 4226800 -75.0058 -7.95279 36.8455 -7.95281 -10.3437 13.8748 36.8455 13.8749 66.305 GPRESSAVG: 4226800 -76.2467 -6.94637 35.5607 -8.06273 -9.59486 16.128 39.6754 12.1959 67.0219 TIMING: 4226800 CPU: 12282.8, 0.00287746/step Wall: 12282.8, 0.00287746/step, 0.618014 hours remaining, 206.914062 MB of memory in use. ENERGY: 4226800 793.9456 2141.3353 1921.3073 110.9553 -205985.1453 17630.5820 0.0000 0.0000 34492.8567 -148894.1631 301.2347 -183387.0198 -148803.9299 300.3018 -100.7463 -66.4732 556029.9076 -6.3482 -6.2732 PRESSURE: 4227000 96.1604 -32.0352 75.8529 -32.0351 100.601 101.763 75.8535 101.764 -86.5397 GPRESSURE: 4227000 163.752 -85.7181 49.0805 -30.0226 49.2577 124.615 107.204 15.6701 -18.68 PRESSAVG: 4227000 -30.7867 14.9278 43.5171 14.9278 -45.2166 -44.2331 43.5171 -44.233 71.3251 GPRESSAVG: 4227000 -29.8464 14.6104 43.5343 15.6799 -46.8263 -45.9016 41.2713 -42.1557 72.0955 TIMING: 4227000 CPU: 12283.3, 0.00288514/step Wall: 12283.3, 0.00288514/step, 0.619504 hours remaining, 206.914062 MB of memory in use. ENERGY: 4227000 764.4645 2152.4660 1962.4631 119.6223 -206072.0768 17868.7132 0.0000 0.0000 34282.5784 -148921.7694 299.3983 -183204.3477 -148825.3903 300.4175 36.7406 64.7766 556999.9984 -1.5594 -1.5257 PRESSURE: 4227200 -233.821 44.5528 48.4156 44.5525 -35.9189 -7.74346 48.4161 -7.74373 8.45564 GPRESSURE: 4227200 -181.414 49.974 53.956 91.5062 18.3827 5.64245 12.9431 -55.5658 0.567705 PRESSAVG: 4227200 4.48512 20.774 13.1276 20.7741 -43.7296 -9.27854 13.1276 -9.27852 36.2831 GPRESSAVG: 4227200 5.5344 21.562 13.0971 20.065 -42.3232 -8.48126 11.8895 -10.5817 34.2366 TIMING: 4227200 CPU: 12283.9, 0.00289027/step Wall: 12283.9, 0.00289027/step, 0.620445 hours remaining, 206.914062 MB of memory in use. ENERGY: 4227200 742.6919 2085.2413 1939.3668 111.3545 -205882.3576 17605.6283 0.0000 0.0000 34335.7856 -149062.2893 299.8630 -183398.0748 -148962.5946 300.0256 -87.0948 -54.1544 558009.2132 -0.9871 -0.8507 PRESSURE: 4227400 133.546 -36.2231 17.7686 -36.2221 -39.4449 -10.7108 17.7686 -10.712 -148.126 GPRESSURE: 4227400 220.868 -58.25 -39.3661 -32.0633 -0.41398 99.536 -2.86455 63.1894 -167.754 PRESSAVG: 4227400 -50.0206 -11.0997 33.1757 -11.0997 52.545 8.40015 33.1757 8.40008 -10.2529 GPRESSAVG: 4227400 -50.674 -12.5088 34.2021 -11.1376 51.8116 7.37044 34.0815 9.32571 -9.1802 TIMING: 4227400 CPU: 12284.5, 0.00291279/step Wall: 12284.5, 0.00291279/step, 0.625118 hours remaining, 206.914062 MB of memory in use. ENERGY: 4227400 750.9700 2160.0133 1954.3989 111.9004 -206097.0221 17859.7592 0.0000 0.0000 34245.8461 -149014.1343 299.0775 -183259.9804 -148924.2769 299.7831 -18.0085 17.5666 558339.9463 -2.5761 -2.6809 PRESSURE: 4227600 -275.042 -11.127 -195.687 -11.1283 -61.2633 -67.7568 -195.688 -67.7563 -138.188 GPRESSURE: 4227600 -257.844 -16.5828 -160.474 -24.0811 62.322 15.4995 -99.4434 -120.09 -185.29 PRESSAVG: 4227600 29.21 -15.0993 -8.46809 -15.0993 43.7748 12.8397 -8.46813 12.8398 -25.6704 GPRESSAVG: 4227600 30.5657 -15.3223 -7.1715 -13.3577 43.0256 12.375 -9.65923 14.09 -25.7857 TIMING: 4227600 CPU: 12285.1, 0.00291499/step Wall: 12285.1, 0.00291499/step, 0.625427 hours remaining, 206.914062 MB of memory in use. ENERGY: 4227600 775.6371 2071.6645 1930.0235 111.0867 -206068.0146 17601.2815 0.0000 0.0000 34478.6641 -149099.6572 301.1107 -183578.3213 -149003.5501 300.1640 -158.1644 -126.9374 557716.5750 15.7714 15.9352 PRESSURE: 4227800 -137.128 -0.133495 -171.472 -0.133187 -71.5633 -83.6451 -171.472 -83.6439 -155.313 GPRESSURE: 4227800 -67.7257 -72.142 -64.5673 85.8576 -37.8007 -10.0586 -222.487 -174.96 -147.237 PRESSAVG: 4227800 19.829 36.7666 -17.8151 36.7665 24.0145 -4.0729 -17.815 -4.07284 -28.2412 GPRESSAVG: 4227800 19.5076 38.0488 -18.015 35.68 25.6718 -3.50963 -16.4601 -6.56852 -29.4568 TIMING: 4227800 CPU: 12285.7, 0.00289119/step Wall: 12285.7, 0.00289119/step, 0.620161 hours remaining, 206.914062 MB of memory in use. ENERGY: 4227800 794.4943 2087.4597 1919.0954 108.6149 -206225.5927 17805.7075 0.0000 0.0000 34346.4342 -149163.7868 299.9560 -183510.2210 -149066.9769 299.8467 -121.3347 -84.2543 558208.1527 5.2008 5.2409 PRESSURE: 4228000 75.0683 -53.1596 -54.9711 -53.158 -95.2109 227.313 -54.9716 227.312 141.455 GPRESSURE: 4228000 142.71 -42.4212 -0.801293 -196.925 -47.9669 212.469 -20.835 258.462 124.634 PRESSAVG: 4228000 2.16811 -5.3541 -39.5587 -5.35407 33.4879 1.82767 -39.5588 1.82766 -6.31398 GPRESSAVG: 4228000 2.61942 -6.79479 -42.6263 -5.5956 32.6631 1.51885 -39.1355 3.43364 -5.26677 TIMING: 4228000 CPU: 12286.2, 0.00289757/step Wall: 12286.2, 0.00289757/step, 0.621367 hours remaining, 206.914062 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: 4228000 733.0625 2059.7942 1929.5560 113.1760 -206216.9636 17902.5715 0.0000 0.0000 34370.1323 -149108.6711 300.1629 -183478.8033 -149008.6171 299.0216 40.4375 73.1254 559342.9884 9.7807 10.0053 PRESSURE: 4228200 -59.2583 -43.1895 139.278 -43.1904 100.581 -137.792 139.278 -137.793 -240.633 GPRESSURE: 4228200 4.0339 -37.372 127.97 28.7851 65.6303 -149.69 157.258 -137.769 -174.468 PRESSAVG: 4228200 -55.7843 19.8028 58.652 19.8029 -38.5162 0.85295 58.6521 0.852911 37.5358 GPRESSAVG: 4228200 -56.3347 19.3353 59.8166 21.9932 -38.2559 1.16644 59.0052 -0.245269 37.7475 TIMING: 4228200 CPU: 12286.8, 0.00289795/step Wall: 12286.8, 0.00289795/step, 0.621288 hours remaining, 206.914062 MB of memory in use. ENERGY: 4228200 795.0615 2103.9509 1920.2410 114.7003 -206303.6716 17988.7722 0.0000 0.0000 34408.1670 -148972.7787 300.4951 -183380.9457 -148876.9780 300.1074 -66.4365 -34.9346 558668.3590 -18.9216 -18.9477 LDB: ============= START OF LOAD BALANCING ============== 12290.3 LDB: ============== END OF LOAD BALANCING =============== 12290.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12290.3 LDB: ============= START OF LOAD BALANCING ============== 12290.6 LDB: Largest compute 4849 load 0.026815 is 22.8% of average load 0.117764 LDB: Average compute 0.001738 is 1.5% of average load 0.117764 LDB: TIME 12290.6 LOAD: AVG 0.117764 MAX 0.17713 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 12290.6 LOAD: AVG 0.117764 MAX 0.17713 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 12290.6 LOAD: AVG 0.117764 MAX 0.17713 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 12290.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12290.6 PRESSURE: 4228400 60.6681 -71.5407 -139.952 -71.5408 134.794 139.445 -139.952 139.446 -148.877 GPRESSURE: 4228400 75.518 -89.9757 -103.408 4.20566 189.914 207.524 -180.16 78.6236 -121.871 PRESSAVG: 4228400 -68.6284 19.2877 -1.84681 19.2877 73.472 36.5418 -1.8468 36.5418 -3.34503 GPRESSAVG: 4228400 -69.7751 20.1337 -1.62197 17.7507 72.7989 37.3615 -1.31577 38.1072 -1.10801 TIMING: 4228400 CPU: 12287.4, 0.00299029/step Wall: 12287.4, 0.00299029/step, 0.64092 hours remaining, 207.410156 MB of memory in use. ENERGY: 4228400 759.2488 2046.9028 1925.5535 103.7897 -206060.0666 17871.9199 0.0000 0.0000 34520.1556 -148832.4963 301.4731 -183352.6519 -148734.1291 300.0530 15.5286 47.8536 557342.1277 0.4995 0.6386 PRESSURE: 4228600 -190.643 83.8495 -30.3458 83.8499 68.7497 19.885 -30.3467 19.8863 -1.17411 GPRESSURE: 4228600 -121.799 109.15 -13.0239 70.6723 82.4468 61.7409 6.28301 -50.0517 13.7102 PRESSAVG: 4228600 -15.8113 49.1595 -4.69127 49.1594 21.4366 6.24157 -4.69125 6.24153 -10.287 GPRESSAVG: 4228600 -15.2593 49.0742 -2.35561 50.4763 21.9774 6.22939 -7.15768 5.24643 -11.8411 TIMING: 4228600 CPU: 12288, 0.00289385/step Wall: 12288, 0.00289385/step, 0.620088 hours remaining, 207.613281 MB of memory in use. ENERGY: 4228600 782.9779 2078.1898 1911.1479 117.5613 -205842.1462 17820.1542 0.0000 0.0000 34279.8468 -148852.2684 299.3744 -183132.1152 -148752.4632 300.4781 -41.0223 -8.5472 557684.3559 -1.5539 -1.7077 PRESSURE: 4228800 14.6077 85.2244 95.377 85.2263 -18.835 108.768 95.376 108.768 -6.69312 GPRESSURE: 4228800 63.6263 125.108 126.623 111.626 15.1286 64.4577 39.125 117.614 2.90807 PRESSAVG: 4228800 16.4086 34.3708 -5.01955 34.3708 11.5934 3.27393 -5.01963 3.2739 -27.32 GPRESSAVG: 4228800 16.0173 35.3132 -7.38098 33.0268 13.3346 2.44119 -2.6546 4.02049 -28.2555 TIMING: 4228800 CPU: 12288.6, 0.0028871/step Wall: 12288.6, 0.0028871/step, 0.618482 hours remaining, 207.613281 MB of memory in use. ENERGY: 4228800 725.9875 2073.0335 1920.5913 119.1133 -205984.9360 17740.8989 0.0000 0.0000 34348.8444 -149056.4671 299.9770 -183405.3115 -148965.8992 300.3707 -3.6401 27.2210 556687.4672 0.2273 0.3655 PRESSURE: 4229000 -218.161 -29.3621 7.34735 -29.3634 -143.222 51.13 7.34638 51.1292 -214.365 GPRESSURE: 4229000 -147.868 -87.5901 -48.9307 41.0452 -110.53 36.1242 -6.97522 53.7092 -207.285 PRESSAVG: 4229000 2.14414 -0.867228 11.3304 -0.867269 19.1757 26.1961 11.3303 26.1961 -41.533 GPRESSAVG: 4229000 3.61759 0.335052 12.8445 0.73862 17.7928 25.5873 10.5228 27.3213 -41.6282 TIMING: 4229000 CPU: 12289.2, 0.00290493/step Wall: 12289.2, 0.00290493/step, 0.622139 hours remaining, 207.613281 MB of memory in use. ENERGY: 4229000 753.8115 2066.7003 1928.2281 124.9170 -205437.9466 17453.3980 0.0000 0.0000 34214.6953 -148896.1963 298.8054 -183110.8917 -148795.1294 300.0869 -191.9162 -155.2279 556592.6160 -6.7377 -6.7393 PRESSURE: 4229200 206.254 184.556 -136.436 184.555 199.814 25.8453 -136.435 25.844 106.818 GPRESSURE: 4229200 190.542 195.622 -67.2573 158.565 259.338 9.78956 -157.512 85.3684 158.219 PRESSAVG: 4229200 -12.7797 -40.0636 -51.9907 -40.0637 40.3026 0.259605 -51.9907 0.259693 8.6235 GPRESSAVG: 4229200 -13.2108 -41.9048 -52.6764 -42.5509 40.3028 3.04924 -53.0202 -1.54601 8.68727 TIMING: 4229200 CPU: 12289.7, 0.00288249/step Wall: 12289.7, 0.00288249/step, 0.617173 hours remaining, 207.613281 MB of memory in use. ENERGY: 4229200 746.0628 2031.9431 1973.3841 113.4416 -205865.7720 17781.1514 0.0000 0.0000 34300.2519 -148919.5371 299.5526 -183219.7890 -148824.9378 300.2093 170.9616 202.6997 556263.3761 12.0488 11.9264 PRESSURE: 4229400 3.56957 -65.4207 157.424 -65.421 -73.5352 59.9738 157.423 59.9735 226.924 GPRESSURE: 4229400 25.5607 -50.3821 165.04 -79.2875 1.38334 96.0355 131.5 111.203 237.977 PRESSAVG: 4229400 -21.3376 6.12479 2.44868 6.12479 -5.64979 3.08622 2.44858 3.08622 39.1319 GPRESSAVG: 4229400 -21.4886 7.58696 4.01672 7.32395 -5.92892 2.56107 3.30969 2.02406 39.7281 TIMING: 4229400 CPU: 12290.3, 0.00288098/step Wall: 12290.3, 0.00288098/step, 0.616689 hours remaining, 207.613281 MB of memory in use. ENERGY: 4229400 729.0420 2114.5415 1907.1410 110.0818 -206125.1730 17706.4806 0.0000 0.0000 34433.1335 -149124.7527 300.7131 -183557.8862 -149032.7844 299.8996 52.3193 88.3070 557514.2403 4.0482 4.1035 PRESSURE: 4229600 330.656 -214.444 44.3467 -214.442 -272.556 123.316 44.3448 123.316 17.284 GPRESSURE: 4229600 384.44 -238.327 48.4122 -310.714 -228.501 228.579 18.1846 89.9956 32.9334 PRESSAVG: 4229600 31.7464 -80.9751 32.9026 -80.9752 -40.1457 32.9431 32.9026 32.9431 39.5179 GPRESSAVG: 4229600 30.7432 -79.2771 31.7586 -83.3365 -38.8994 33.319 33.6585 34.1729 39.3394 TIMING: 4229600 CPU: 12290.9, 0.00286998/step Wall: 12290.9, 0.00286998/step, 0.614175 hours remaining, 207.613281 MB of memory in use. ENERGY: 4229600 743.8140 2108.0918 1916.3174 112.8765 -206471.1564 18004.6579 0.0000 0.0000 34480.6810 -149104.7179 301.1284 -183585.3989 -149011.4530 299.5329 25.1280 62.9573 557756.5469 10.3728 10.3944 PRESSURE: 4229800 -153.925 5.58567 79.0165 5.5854 -211.97 -183.823 79.017 -183.824 -13.8401 GPRESSURE: 4229800 -157.083 -22.8913 37.0618 31.6777 -168.467 -143.055 146.624 -184.563 45.781 PRESSAVG: 4229800 41.4265 22.0384 -8.94161 22.0383 -42.7206 11.5032 -8.94158 11.5033 -9.86504 GPRESSAVG: 4229800 43.0343 21.6698 -8.79951 23.5214 -44.5291 11.2474 -9.79796 11.9682 -9.84306 TIMING: 4229800 CPU: 12291.5, 0.00288132/step Wall: 12291.5, 0.00288132/step, 0.616441 hours remaining, 207.613281 MB of memory in use. ENERGY: 4229800 782.1590 2122.5345 1953.2031 108.6604 -206324.5971 17730.2790 0.0000 0.0000 34475.2837 -149152.4774 301.0812 -183627.7611 -149054.6206 299.5127 -126.5782 -93.2565 556285.2614 -3.7197 -3.7793 PRESSURE: 4230000 49.1967 82.0296 -36.7561 82.0298 213.762 56.6253 -36.7568 56.6266 301.112 GPRESSURE: 4230000 80.7082 52.5688 -94.0529 101.034 226.331 42.2215 27.5939 33.0376 365.845 PRESSAVG: 4230000 -36.143 12.0611 -10.5534 12.0612 61.2458 20.415 -10.5534 20.415 -35.6943 GPRESSAVG: 4230000 -36.871 10.2592 -10.1212 13.6593 61.9425 18.9488 -10.8743 21.3529 -35.8681 TIMING: 4230000 CPU: 12292, 0.00289118/step Wall: 12292, 0.00289118/step, 0.618391 hours remaining, 207.613281 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: 4230000 738.6715 2106.8940 1950.5610 116.6697 -206430.5099 18173.6403 0.0000 0.0000 34207.0064 -149137.0669 298.7383 -183344.0733 -149038.9482 299.7717 188.0236 224.2947 556763.5464 -3.5305 -3.5989 PRESSURE: 4230200 128.644 -97.0161 -37.7191 -97.0163 -231.865 99.3051 -37.7192 99.3049 -202.963 GPRESSURE: 4230200 96.5029 -194.968 -53.3691 -76.8467 -136.261 153.6 -37.4455 147.502 -162.393 PRESSAVG: 4230200 23.6344 13.4932 -8.95006 13.493 -48.8979 21.8413 -8.9501 21.8414 -6.35302 GPRESSAVG: 4230200 23.633 13.7268 -8.99736 12.0531 -49.034 24.9113 -8.32141 19.8543 -6.23697 TIMING: 4230200 CPU: 12292.6, 0.00287171/step Wall: 12292.6, 0.00287171/step, 0.614067 hours remaining, 207.816406 MB of memory in use. ENERGY: 4230200 735.9535 2149.1531 1940.5494 113.3734 -206406.5179 17713.7088 0.0000 0.0000 34305.5674 -149448.2123 299.5991 -183753.7797 -149352.1187 299.5209 -102.0610 -67.3836 556756.7211 -10.5389 -10.5460 PRESSURE: 4230400 225.646 -166.338 131.428 -166.337 211.271 -24.3966 131.427 -24.397 -30.0395 GPRESSURE: 4230400 268.633 -173.188 109.012 -155.236 261.583 -11.5479 196.485 -96.8159 -33.4225 PRESSAVG: 4230400 23.2118 -50.7348 -1.62768 -50.7347 56.9893 -28.1964 -1.62759 -28.1964 -26.0248 GPRESSAVG: 4230400 24.4784 -50.4845 -3.47173 -50.9309 55.7964 -29.8297 -0.107646 -24.7689 -26.5246 TIMING: 4230400 CPU: 12293.2, 0.00287864/step Wall: 12293.2, 0.00287864/step, 0.615389 hours remaining, 207.816406 MB of memory in use. ENERGY: 4230400 705.9511 2094.6846 1938.5979 102.8491 -206413.7522 17853.3831 0.0000 0.0000 34359.2041 -149359.0822 300.0675 -183718.2863 -149260.7089 299.3122 135.6260 165.5977 555054.0136 18.0588 17.9167 PRESSURE: 4230600 -184.68 -30.7452 128.863 -30.7449 95.2502 -24.3915 128.863 -24.3926 27.4569 GPRESSURE: 4230600 -151.691 -41.6538 124.581 41.6628 113.694 -61.2851 170.1 -13.6856 79.5162 PRESSAVG: 4230600 -25.4894 -42.4314 19.953 -42.4314 6.52079 16.1018 19.953 16.1018 -3.80734 GPRESSAVG: 4230600 -26.9596 -41.0998 20.3944 -42.3435 6.98953 15.4096 20.2213 12.7303 -2.2343 TIMING: 4230600 CPU: 12293.8, 0.00289653/step Wall: 12293.8, 0.00289653/step, 0.619052 hours remaining, 207.816406 MB of memory in use. ENERGY: 4230600 732.9409 2105.4911 1930.9951 108.9779 -206685.8227 17963.3557 0.0000 0.0000 34373.7731 -149470.2890 300.1947 -183844.0621 -149373.1435 298.6385 -20.6577 13.8397 557218.7617 -7.5920 -7.4015 PRESSURE: 4230800 -63.5066 -138.426 -72.2505 -138.427 -58.3077 -27.2037 -72.2504 -27.2053 -171.834 GPRESSURE: 4230800 -41.8031 -219.382 -36.2674 -46.4 0.176012 -67.3476 -30.9096 -33.2881 -153.754 PRESSAVG: 4230800 23.3732 -29.8336 24.9573 -29.8336 -0.0566409 -3.18917 24.9573 -3.18923 -14.0718 GPRESSAVG: 4230800 23.5541 -31.0852 24.5669 -28.2901 0.468752 -3.84357 25.6519 -2.28666 -14.5929 TIMING: 4230800 CPU: 12294.3, 0.00288255/step Wall: 12294.3, 0.00288255/step, 0.615906 hours remaining, 207.816406 MB of memory in use. ENERGY: 4230800 747.3645 2121.3814 1937.7013 109.0036 -206306.7389 17784.7184 0.0000 0.0000 34202.3510 -149404.2187 298.6976 -183606.5697 -149310.4798 298.3452 -97.8828 -65.1269 556223.0646 3.0816 3.1433 PRESSURE: 4231000 108.483 -54.6496 76.6363 -54.6503 -59.7218 -107.692 76.6353 -107.69 -155.957 GPRESSURE: 4231000 157.007 -72.3144 23.9069 -33.973 -58.4648 -114.591 133.635 -158.203 -117.575 PRESSAVG: 4231000 -11.6855 -34.1822 -22.4917 -34.1822 16.668 -14.5027 -22.4918 -14.5027 -7.69184 GPRESSAVG: 4231000 -11.4356 -36.687 -20.2777 -34.009 17.7835 -14.2149 -24.3885 -14.817 -9.0243 TIMING: 4231000 CPU: 12294.9, 0.0028681/step Wall: 12294.9, 0.0028681/step, 0.612657 hours remaining, 207.816406 MB of memory in use. ENERGY: 4231000 746.4846 2102.0712 1955.8373 117.4819 -206406.9965 17888.6532 0.0000 0.0000 34212.2831 -149384.1853 298.7844 -183596.4683 -149296.1664 299.2981 -35.7320 -6.3443 557327.4786 -0.9031 -0.8921 PRESSURE: 4231200 -118.978 131.409 136.334 131.409 -97.7461 -71.5862 136.333 -71.5857 -145.038 GPRESSURE: 4231200 -74.4969 68.5014 116.217 110.214 -70.4507 -91.7041 184.235 -143.147 -121.814 PRESSAVG: 4231200 62.499 -60.5555 -18.3726 -60.5555 -85.4567 18.6038 -18.3726 18.6038 7.16632 GPRESSAVG: 4231200 63.5946 -57.9671 -18.5094 -61.2525 -86.5492 19.5891 -18.7031 20.8203 7.24906 TIMING: 4231200 CPU: 12295.5, 0.00286756/step Wall: 12295.5, 0.00286756/step, 0.612384 hours remaining, 207.816406 MB of memory in use. ENERGY: 4231200 780.9405 2078.4672 1978.7173 106.6935 -206303.8360 17818.8421 0.0000 0.0000 34150.2932 -149389.8822 298.2430 -183540.1755 -149297.5496 299.1329 -120.5874 -88.9205 557000.0990 -5.2638 -5.2352 PRESSURE: 4231400 -18.3237 -23.0313 0.758271 -23.0301 -231.945 18.6148 0.758894 18.6147 -34.3027 GPRESSURE: 4231400 43.677 -91.9094 54.9201 5.25554 -221.468 13.6657 -85.1298 52.8748 -21.1717 PRESSAVG: 4231400 -21.8912 27.4542 14.4588 27.4542 43.9887 0.615697 14.4588 0.615693 3.38769 GPRESSAVG: 4231400 -23.3006 26.6319 15.4041 27.2968 44.7559 1.5516 13.9349 -0.0865142 3.26823 TIMING: 4231400 CPU: 12296.1, 0.0028804/step Wall: 12296.1, 0.0028804/step, 0.614965 hours remaining, 207.816406 MB of memory in use. ENERGY: 4231400 695.1329 2063.1231 1935.8327 120.9323 -205934.7343 17681.0205 0.0000 0.0000 34013.9743 -149424.7185 297.0525 -183438.6928 -149324.9750 298.5132 -94.8572 -66.3210 557631.8825 8.4951 8.2412 PRESSURE: 4231600 -26.3213 29.9999 -117.817 30.0003 -157.732 14.539 -117.816 14.5391 -56.5514 GPRESSURE: 4231600 -14.4873 41.6691 -104.255 -17.302 -91.2169 -4.87787 -163.991 37.3588 -33.9696 PRESSAVG: 4231600 3.06147 4.02601 -51.9054 4.02598 17.3467 -0.785868 -51.9053 -0.785872 -57.0216 GPRESSAVG: 4231600 3.67372 4.92091 -56.0985 4.92115 16.8993 -2.72542 -51.9034 -0.795064 -56.9401 TIMING: 4231600 CPU: 12296.6, 0.00287389/step Wall: 12296.6, 0.00287389/step, 0.613416 hours remaining, 207.816406 MB of memory in use. ENERGY: 4231600 784.0879 2080.2909 1937.3130 127.1755 -205929.7038 17624.7080 0.0000 0.0000 34128.2794 -149247.8491 298.0508 -183376.1285 -149142.2225 299.4440 -80.2016 -46.5579 557703.3967 -12.2045 -12.1223 PRESSURE: 4231800 -192.188 130.353 -0.272542 130.352 -125.214 14.7194 -0.271488 14.7204 -153.22 GPRESSURE: 4231800 -209.652 136.373 -49.4223 61.1846 -9.77098 26.9655 -60.9945 -26.6586 -139.228 PRESSAVG: 4231800 -21.5165 -20.5964 9.80119 -20.5964 1.01859 33.5781 9.80122 33.5781 9.55804 GPRESSAVG: 4231800 -21.5721 -20.6313 11.4792 -23.3134 0.545339 34.0188 10.4481 33.4104 10.0295 TIMING: 4231800 CPU: 12297.2, 0.0028935/step Wall: 12297.2, 0.0028935/step, 0.61744 hours remaining, 207.816406 MB of memory in use. ENERGY: 4231800 764.5830 2074.7854 1985.9464 104.4119 -206410.9363 17765.3590 0.0000 0.0000 34311.0861 -149404.7645 299.6472 -183715.8505 -149313.0609 298.9580 -156.8741 -119.5503 556802.0230 -3.6466 -3.6658 PRESSURE: 4232000 -55.5217 24.0516 68.0871 24.0528 -97.2061 -35.9226 68.0865 -35.9233 59.176 GPRESSURE: 4232000 -20.3455 -32.567 23.5683 -22.9068 -87.2599 3.38341 143.418 -20.9547 111.551 PRESSAVG: 4232000 1.04457 2.30912 32.436 2.30913 18.5971 54.0133 32.436 54.0133 16.047 GPRESSAVG: 4232000 1.09811 3.23707 31.807 4.06664 17.5323 54.6174 31.9844 55.1556 16.7488 TIMING: 4232000 CPU: 12297.8, 0.00290777/step Wall: 12297.8, 0.00290777/step, 0.620325 hours remaining, 207.816406 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: 4232000 731.6285 2085.3895 1964.7424 114.9738 -206311.2032 17844.0399 0.0000 0.0000 34180.5293 -149389.8998 298.5071 -183570.4291 -149290.2018 299.2741 -31.1839 1.3152 557212.8129 11.8962 11.7931 PRESSURE: 4232200 -250.675 125.008 176.054 125.008 -95.9033 15.2797 176.054 15.2791 30.1387 GPRESSURE: 4232200 -220.35 161.049 243.032 53.2616 -36.567 -40.3745 92.1455 32.0917 50.3099 PRESSAVG: 4232200 -25.9071 10.438 2.15063 10.4381 46.9638 3.90107 2.15056 3.90105 -19.9615 GPRESSAVG: 4232200 -25.7374 9.16069 4.76329 10.2891 48.1618 3.3852 1.58062 2.23869 -21.3034 TIMING: 4232200 CPU: 12298.4, 0.00292282/step Wall: 12298.4, 0.00292282/step, 0.623372 hours remaining, 207.816406 MB of memory in use. ENERGY: 4232200 750.9576 2085.8749 1920.8892 112.9114 -206106.4612 17667.5035 0.0000 0.0000 34066.2367 -149502.0879 297.5089 -183568.3246 -149403.4235 298.3903 -105.4797 -68.8692 556032.4038 0.3651 0.3737 LDB: ============= START OF LOAD BALANCING ============== 12301.9 LDB: ============== END OF LOAD BALANCING =============== 12301.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12301.9 LDB: ============= START OF LOAD BALANCING ============== 12302.1 LDB: Largest compute 4848 load 0.026971 is 22.9% of average load 0.117815 LDB: Average compute 0.001737 is 1.5% of average load 0.117815 LDB: TIME 12302.1 LOAD: AVG 0.117815 MAX 0.177267 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.727 MB LDB: TIME 12302.1 LOAD: AVG 0.117815 MAX 0.177267 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: TIME 12302.1 LOAD: AVG 0.117815 MAX 0.177267 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12302.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12302.2 PRESSURE: 4232400 360.84 105.896 202.173 105.895 376.669 10.8739 202.172 10.8738 196.075 GPRESSURE: 4232400 318.553 109.267 224.618 117.829 460.736 -47.5741 185.87 33.7616 267.569 PRESSAVG: 4232400 4.90195 11.053 -0.881044 11.053 53.9702 36.2429 -0.881083 36.2428 -47.0876 GPRESSAVG: 4232400 5.81666 10.7598 -1.2937 11.5826 53.4748 35.2288 0.371162 36.7958 -47.2691 TIMING: 4232400 CPU: 12299, 0.00295919/step Wall: 12299, 0.00295919/step, 0.630965 hours remaining, 206.585938 MB of memory in use. ENERGY: 4232400 714.2096 2075.4503 1931.8539 119.1568 -206799.3058 18354.6323 0.0000 0.0000 34187.3209 -149416.6821 298.5664 -183604.0030 -149324.4149 298.6326 311.1945 348.9527 557147.5523 3.9282 4.0075 PRESSURE: 4232600 -75.8109 15.4925 -137.225 15.4924 188.41 107.424 -137.224 107.424 -293.899 GPRESSURE: 4232600 14.4522 72.4876 -185.785 -89.3818 145.474 61.4975 -138.289 103.328 -253.527 PRESSAVG: 4232600 20.6671 -42.3691 8.70083 -42.3692 -35.9105 -33.9386 8.7008 -33.9385 -4.54098 GPRESSAVG: 4232600 21.3981 -42.901 8.65024 -41.0466 -36.9396 -32.1261 8.45724 -35.7237 -4.28605 TIMING: 4232600 CPU: 12299.6, 0.00293399/step Wall: 12299.6, 0.00293399/step, 0.625428 hours remaining, 206.585938 MB of memory in use. ENERGY: 4232600 751.4466 2144.6926 1923.8566 121.8973 -206395.2171 17850.9422 0.0000 0.0000 34249.1101 -149353.2718 299.1060 -183602.3818 -149261.0960 298.8379 -60.4334 -31.2000 558382.9474 -6.5948 -6.6092 PRESSURE: 4232800 42.7212 -6.87987 -32.3478 -6.88149 64.8138 13.9953 -32.3479 13.996 67.786 GPRESSURE: 4232800 5.99599 -44.5469 -80.6187 22.3365 119.559 -95.7841 -11.612 106.508 141.98 PRESSAVG: 4232800 30.6847 52.844 33.3293 52.844 -2.53286 13.0529 33.3294 13.053 -25.2239 GPRESSAVG: 4232800 29.1126 52.5431 31.8141 52.1986 -1.40048 13.4748 33.6645 14.1106 -24.9343 TIMING: 4232800 CPU: 12300.1, 0.00291301/step Wall: 12300.1, 0.00291301/step, 0.620794 hours remaining, 206.585938 MB of memory in use. ENERGY: 4232800 733.4180 2098.5412 1935.3341 104.8022 -206795.2815 18123.5030 0.0000 0.0000 34120.3813 -149679.3017 297.9818 -183799.6830 -149587.8261 297.5482 58.4404 89.1781 557867.7627 0.9760 0.9259 PRESSURE: 4233000 273.195 -118.213 19.9456 -118.212 14.2461 -72.5746 19.9464 -72.5754 178.958 GPRESSURE: 4233000 277.091 -76.7271 89.903 -125.364 85.6512 -28.8395 -29.2345 -82.9974 197.303 PRESSAVG: 4233000 45.0839 -2.3957 7.65261 -2.39566 9.10829 7.15955 7.65277 7.15961 -39.5806 GPRESSAVG: 4233000 46.1551 -0.000438301 8.17875 -5.24836 9.00468 5.28046 6.74433 9.74567 -40.2398 TIMING: 4233000 CPU: 12300.7, 0.0028971/step Wall: 12300.7, 0.0028971/step, 0.617244 hours remaining, 206.585938 MB of memory in use. ENERGY: 4233000 740.2559 2058.3650 1918.7689 114.7203 -206740.9244 18090.6964 0.0000 0.0000 34159.4587 -149658.6592 298.3230 -183818.1179 -149564.6713 297.9777 155.4661 186.6816 556092.4867 4.8705 4.9733 PRESSURE: 4233200 -239.72 -200.167 130.64 -200.166 -104.736 -5.48453 130.639 -5.48462 -170.165 GPRESSURE: 4233200 -223.285 -225.962 82.8901 -145.779 -53.1207 39.7044 126.563 -7.94855 -155.133 PRESSAVG: 4233200 92.1806 -64.7657 -28.1282 -64.7658 1.81414 -46.1653 -28.1282 -46.1653 -40.6187 GPRESSAVG: 4233200 92.2592 -65.9284 -28.4812 -64.7876 1.1613 -45.3349 -27.3448 -48.6507 -39.3964 TIMING: 4233200 CPU: 12301.3, 0.00289907/step Wall: 12301.3, 0.00289907/step, 0.617502 hours remaining, 206.585938 MB of memory in use. ENERGY: 4233200 746.3743 2021.9011 1938.2232 109.7890 -206184.4871 17704.7766 0.0000 0.0000 34062.0009 -149601.4219 297.4719 -183663.4228 -149502.6702 297.9074 -171.5404 -143.8464 557857.4061 17.7920 18.0081 PRESSURE: 4233400 1.17956 10.7798 -103.517 10.7797 -67.3318 27.7484 -103.516 27.7501 -311.41 GPRESSURE: 4233400 48.2047 -39.7157 -98.643 -39.2493 -34.5951 64.6105 -101.558 41.1337 -291.349 PRESSAVG: 4233400 67.5369 -60.3785 -13.4106 -60.3785 -22.1986 -9.7934 -13.4106 -9.79334 -55.7268 GPRESSAVG: 4233400 66.5702 -59.8778 -15.288 -59.5716 -21.2477 -10.0218 -12.1277 -9.03451 -55.3824 TIMING: 4233400 CPU: 12301.9, 0.00290829/step Wall: 12301.9, 0.00290829/step, 0.619304 hours remaining, 206.585938 MB of memory in use. ENERGY: 4233400 761.1790 2036.7831 1932.1491 105.0060 -206390.9260 17674.0659 0.0000 0.0000 34343.2547 -149538.4882 299.9282 -183881.7429 -149450.9860 298.0599 -125.8541 -92.5798 557511.5444 -3.4628 -3.3533 PRESSURE: 4233600 -32.1036 62.8535 2.3131 62.8537 -90.4565 -171.965 2.31359 -171.964 -58.4215 GPRESSURE: 4233600 -4.52827 164.913 9.16777 -13.6614 -59.5718 -145.821 1.99579 -156.388 -17.0855 PRESSAVG: 4233600 47.9383 28.5213 42.1563 28.5213 -13.2653 -61.0935 42.1563 -61.0934 -55.1663 GPRESSAVG: 4233600 49.3034 28.1256 43.7988 27.3889 -13.0884 -61.2527 42.0329 -62.6979 -55.7204 TIMING: 4233600 CPU: 12302.5, 0.00291371/step Wall: 12302.5, 0.00291371/step, 0.620296 hours remaining, 206.585938 MB of memory in use. ENERGY: 4233600 728.8006 2063.5148 1965.9890 124.1357 -206061.3272 17675.5017 0.0000 0.0000 34052.1956 -149451.1897 297.3863 -183503.3854 -149352.8429 298.3098 -60.3272 -27.0618 557493.1714 -6.8311 -6.5018 PRESSURE: 4233800 -58.8787 109.51 186.284 109.509 -60.5451 67.9145 186.283 67.9129 -11.5534 GPRESSURE: 4233800 -59.3743 30.9163 240.602 135.578 -37.7311 115.893 106.782 64.2594 64.1185 PRESSAVG: 4233800 96.3484 -17.3801 3.5535 -17.3801 -68.6901 41.1116 3.55352 41.1115 -18.2017 GPRESSAVG: 4233800 96.2639 -20.6678 4.12648 -15.4159 -67.4332 40.8097 0.548391 42.8451 -19.2946 TIMING: 4233800 CPU: 12303.1, 0.00290613/step Wall: 12303.1, 0.00290613/step, 0.618521 hours remaining, 206.789062 MB of memory in use. ENERGY: 4233800 776.3019 2023.9255 1915.5382 126.2742 -206288.5464 17791.8930 0.0000 0.0000 34215.3881 -149439.2255 298.8115 -183654.6136 -149339.3075 298.3717 -43.6591 -10.9956 556991.7735 3.1522 3.1787 PRESSURE: 4234000 62.6019 -17.5567 -95.905 -17.5557 -44.9462 140.97 -95.9056 140.97 -132.179 GPRESSURE: 4234000 114.301 47.9409 -98.2053 -89.4137 -36.2753 126.137 -49.361 191.881 -98.4836 PRESSAVG: 4234000 34.2778 5.31156 10.9819 5.31148 -39.9895 -22.8222 10.9819 -22.8222 -9.21446 GPRESSAVG: 4234000 34.4618 8.04418 10.2665 6.25104 -40.9816 -22.105 13.0913 -22.8933 -8.1504 TIMING: 4234000 CPU: 12303.6, 0.0029044/step Wall: 12303.6, 0.0029044/step, 0.617991 hours remaining, 206.789062 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: 4234000 724.4886 2121.7347 1940.8727 114.3828 -206400.5865 17794.1202 0.0000 0.0000 34255.8027 -149449.1849 299.1644 -183704.9876 -149355.7779 299.0324 -38.1746 -6.8191 557511.8748 -4.9754 -4.8901 PRESSURE: 4234200 -245.144 21.7611 157.665 21.7613 -181.877 27.9834 157.666 27.9843 -237.72 GPRESSURE: 4234200 -253.071 -22.7811 143.866 39.2572 -105.859 93.4384 167.122 -109.455 -212.474 PRESSAVG: 4234200 -17.1364 13.1092 9.36766 13.1092 19.5365 12.0187 9.36769 12.0187 -23.0917 GPRESSAVG: 4234200 -16.6427 13.2553 9.23673 12.1828 18.8675 12.9911 9.84674 9.81725 -22.9301 TIMING: 4234200 CPU: 12304.2, 0.002907/step Wall: 12304.2, 0.002907/step, 0.618384 hours remaining, 206.789062 MB of memory in use. ENERGY: 4234200 732.7259 2065.7667 1938.8120 119.1624 -205783.4113 17425.2483 0.0000 0.0000 34076.1241 -149425.5718 297.5953 -183501.6960 -149334.9111 298.8984 -221.5804 -190.4680 557836.9663 -6.8972 -6.9018 PRESSURE: 4234400 -116.344 148.524 -218.619 148.524 -190.293 -154.338 -218.618 -154.339 -322.193 GPRESSURE: 4234400 -128.864 198.214 -171.746 192.459 -101.337 -80.8074 -259.33 -178.237 -314.189 PRESSAVG: 4234400 34.847 54.5766 -22.5209 54.5766 -36.6895 39.3736 -22.5208 39.3737 -26.8629 GPRESSAVG: 4234400 35.1309 55.9654 -22.3258 54.2216 -36.701 39.9963 -22.1766 39.9074 -27.0377 TIMING: 4234400 CPU: 12304.8, 0.00288714/step Wall: 12304.8, 0.00288714/step, 0.613998 hours remaining, 206.789062 MB of memory in use. ENERGY: 4234400 778.3661 2093.3334 1960.7668 103.7353 -206417.8086 17706.5785 0.0000 0.0000 34260.3520 -149514.6765 299.2042 -183775.0285 -149421.6442 298.3723 -209.6100 -181.4633 557559.7779 -9.5685 -9.5359 PRESSURE: 4234600 -143.275 130.875 -60.4836 130.876 -296.727 79.0434 -60.4823 79.0434 -140.193 GPRESSURE: 4234600 -116.509 110.556 -66.1848 155.065 -276.855 64.3592 -95.8631 32.9487 -88.2815 PRESSAVG: 4234600 62.0055 -4.85596 -19.1658 -4.85594 -70.2862 0.712337 -19.1658 0.712373 11.1273 GPRESSAVG: 4234600 62.6375 -4.64891 -18.8696 -7.24594 -71.4066 0.288213 -20.3331 1.14606 11.9758 TIMING: 4234600 CPU: 12305.4, 0.00287723/step Wall: 12305.4, 0.00287723/step, 0.61173 hours remaining, 206.789062 MB of memory in use. ENERGY: 4234600 754.8380 2066.9793 1922.6155 108.5086 -206439.3865 17627.7874 0.0000 0.0000 34287.1369 -149671.5209 299.4381 -183958.6578 -149578.4047 298.3876 -193.3982 -160.5484 557240.8094 0.9489 1.0689 PRESSURE: 4234800 -71.0736 21.0078 -23.1729 21.008 -351.961 -230.683 -23.1735 -230.684 -56.5232 GPRESSURE: 4234800 -50.9384 -25.71 55.4993 22.8547 -316.012 -253.296 -41.4216 -211.645 -18.735 PRESSAVG: 4234800 3.34408 66.6942 10.7119 66.6942 -53.5367 24.716 10.712 24.7161 71.1017 GPRESSAVG: 4234800 2.1027 65.0828 10.7309 67.8891 -52.9242 23.0407 10.3933 26.3668 71.0414 TIMING: 4234800 CPU: 12305.9, 0.00287811/step Wall: 12305.9, 0.00287811/step, 0.611759 hours remaining, 206.789062 MB of memory in use. ENERGY: 4234800 744.7892 2064.3239 1928.3809 115.9540 -206502.4298 17761.8631 0.0000 0.0000 34089.4177 -149797.7010 297.7114 -183887.1187 -149702.8194 298.2202 -159.8527 -128.5619 556325.0090 6.9697 6.7400 PRESSURE: 4235000 -70.327 21.1978 25.0773 21.2002 -21.8418 -15.7543 25.0763 -15.7536 -92.2034 GPRESSURE: 4235000 19.9823 50.2563 -13.3628 52.2439 -43.9829 -30.2218 39.7131 -25.6537 -58.2962 PRESSAVG: 4235000 -28.9468 54.0471 9.80358 54.0471 -37.863 -16.9237 9.80362 -16.9237 46.2785 GPRESSAVG: 4235000 -27.4475 52.487 9.72513 55.3574 -38.2978 -15.7023 9.45287 -19.0032 44.7258 TIMING: 4235000 CPU: 12306.5, 0.00289035/step Wall: 12306.5, 0.00289035/step, 0.6142 hours remaining, 206.789062 MB of memory in use. ENERGY: 4235000 711.1619 2048.5847 1900.0928 117.2870 -206479.6645 17689.8974 0.0000 0.0000 34168.9709 -149843.6697 298.4061 -184012.6407 -149745.4857 298.0161 -61.4574 -27.4323 554529.5845 -6.8437 -7.0065 PRESSURE: 4235200 248.271 -6.279 55.7157 -6.27852 34.4284 85.5114 55.7146 85.5085 -245.752 GPRESSURE: 4235200 292.924 -70.4587 -5.32978 55.043 73.0652 128.055 33.9429 179.281 -240.786 PRESSAVG: 4235200 46.7862 23.2074 1.10543 23.2074 -59.0713 -54.0055 1.10539 -54.0056 -10.5048 GPRESSAVG: 4235200 45.9549 23.4717 3.15519 23.3333 -58.8291 -55.1373 0.409296 -53.9743 -9.92825 TIMING: 4235200 CPU: 12307.1, 0.0028929/step Wall: 12307.1, 0.0028929/step, 0.614581 hours remaining, 206.789062 MB of memory in use. ENERGY: 4235200 721.5142 2062.4496 1940.0419 112.4609 -206429.2451 17802.9849 0.0000 0.0000 34029.9678 -149759.8259 297.1922 -183789.7937 -149661.7334 297.8171 12.3158 41.7347 556549.5828 -7.5966 -7.6008 PRESSURE: 4235400 -226.768 -107.406 -33.9741 -107.405 -263.77 112.391 -33.9733 112.393 -155.967 GPRESSURE: 4235400 -169.488 -136.503 -16.0818 -158.268 -244.342 120.809 -26.3889 23.5377 -134.467 PRESSAVG: 4235400 -21.8844 -19.9265 20.2501 -19.9266 -16.0202 64.2257 20.2501 64.2257 8.55483 GPRESSAVG: 4235400 -22.3081 -18.7706 17.2127 -21.2425 -15.6248 65.1248 20.6649 64.4711 8.87822 TIMING: 4235400 CPU: 12307.7, 0.00290933/step Wall: 12307.7, 0.00290933/step, 0.617909 hours remaining, 206.789062 MB of memory in use. ENERGY: 4235400 745.1076 2067.5407 1936.5220 106.2982 -206071.5618 17409.4451 0.0000 0.0000 34064.7181 -149741.9301 297.4957 -183806.6482 -149645.9424 297.4872 -215.5017 -182.7654 556622.7852 -9.7832 -9.6849 PRESSURE: 4235600 -209.692 102.969 -71.0956 102.97 23.7952 -2.43099 -71.0949 -2.42969 83.0366 GPRESSURE: 4235600 -157.784 96.9634 -0.271179 68.5915 40.3047 63.5831 -75.8851 -45.1548 121.712 PRESSAVG: 4235600 -16.4161 -7.51383 -41.0804 -7.51387 -23.0932 -10.7838 -41.0804 -10.7838 25.9678 GPRESSAVG: 4235600 -16.4371 -7.86456 -39.1678 -6.49537 -23.5701 -10.4243 -42.1414 -11.3326 26.8794 TIMING: 4235600 CPU: 12308.3, 0.00289442/step Wall: 12308.3, 0.00289442/step, 0.614583 hours remaining, 206.789062 MB of memory in use. ENERGY: 4235600 724.0163 2074.5152 1922.4301 116.4603 -206531.0302 17877.7809 0.0000 0.0000 34207.7558 -149608.0716 298.7448 -183815.8275 -149511.1154 298.0131 -34.2867 1.4110 557689.8694 -4.5138 -4.3759 PRESSURE: 4235800 218.88 -97.3005 4.90814 -97.3012 18.6471 178.546 4.90824 178.547 -4.01883 GPRESSURE: 4235800 217.309 -72.2989 -3.84086 -56.2956 56.6717 177.05 -52.4622 106.571 47.942 PRESSAVG: 4235800 20.3604 -11.2349 -12.0723 -11.2349 -57.8746 -53.9801 -12.0723 -53.98 3.36815 GPRESSAVG: 4235800 20.3808 -10.7513 -13.8606 -10.5952 -56.9783 -52.9586 -9.72666 -55.4975 3.07135 TIMING: 4235800 CPU: 12308.8, 0.0028961/step Wall: 12308.8, 0.0028961/step, 0.614778 hours remaining, 206.789062 MB of memory in use. ENERGY: 4235800 740.7908 2081.4521 1955.0219 107.9399 -206660.0804 17977.8581 0.0000 0.0000 33987.0776 -149809.9399 296.8176 -183797.0175 -149714.8501 297.2720 77.8361 107.3075 557310.4160 -11.3820 -11.1754 PRESSURE: 4236000 14.8796 12.4434 -47.3706 12.443 -105.629 -4.45053 -47.37 -4.4491 67.6799 GPRESSURE: 4236000 61.613 -107.487 -37.3209 4.21624 -29.8689 -75.5923 -70.6115 91.1265 46.4022 PRESSAVG: 4236000 10.6578 -7.91091 48.1888 -7.91081 -23.7025 -0.642647 48.1888 -0.642621 -30.4687 GPRESSAVG: 4236000 10.8655 -7.72991 50.289 -9.46554 -23.5315 -1.96016 47.0314 1.91615 -30.6005 TIMING: 4236000 CPU: 12309.4, 0.00290662/step Wall: 12309.4, 0.00290662/step, 0.616849 hours remaining, 206.789062 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: 4236000 739.4195 2016.8163 1939.0415 115.8720 -206755.3817 18080.2355 0.0000 0.0000 34117.3701 -149746.6268 297.9555 -183863.9969 -149652.5970 297.2658 -7.6897 26.0488 558404.7616 -14.5045 -14.4222 PRESSURE: 4236200 124.283 -66.6086 -52.5778 -66.6093 45.3581 -124.247 -52.5785 -124.248 91.2362 GPRESSURE: 4236200 157.719 -52.0258 -50.0055 -76.7251 118.547 -39.8719 -0.848198 -167.103 90.5452 PRESSAVG: 4236200 6.31268 2.9138 14.6176 2.91388 -10.08 -29.1971 14.6176 -29.1972 14.4537 GPRESSAVG: 4236200 7.34391 0.927847 14.0999 3.55844 -9.91226 -27.0196 13.6379 -30.9033 13.4907 TIMING: 4236200 CPU: 12310, 0.00293244/step Wall: 12310, 0.00293244/step, 0.622167 hours remaining, 206.789062 MB of memory in use. ENERGY: 4236200 740.8756 1995.4361 1967.8689 114.1849 -206527.2710 17790.7172 0.0000 0.0000 34305.7815 -149612.4067 299.6009 -183918.1882 -149518.2895 297.8795 86.9592 122.2706 557239.1060 3.5621 3.6408 LDB: ============= START OF LOAD BALANCING ============== 12313.5 LDB: ============== END OF LOAD BALANCING =============== 12313.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12313.5 LDB: ============= START OF LOAD BALANCING ============== 12313.8 LDB: Largest compute 4848 load 0.027730 is 23.5% of average load 0.117795 LDB: Average compute 0.001745 is 1.5% of average load 0.117795 LDB: TIME 12313.8 LOAD: AVG 0.117795 MAX 0.178 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 12313.8 LOAD: AVG 0.117795 MAX 0.178 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: TIME 12313.8 LOAD: AVG 0.117795 MAX 0.178 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.848 MB LDB: ============== END OF LOAD BALANCING =============== 12313.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12313.8 PRESSURE: 4236400 -166.791 -91.5911 -85.1314 -91.5923 -222.105 -196.156 -85.1319 -196.159 -81.2806 GPRESSURE: 4236400 -130.445 -50.8275 -98.5284 -100.542 -166.352 -213.261 -36.0534 -235.06 -74.314 PRESSAVG: 4236400 18.4079 -10.0766 -13.8874 -10.0766 18.2762 -52.2189 -13.8874 -52.2189 -11.3584 GPRESSAVG: 4236400 18.7443 -8.18332 -16.3077 -10.5019 17.7844 -53.1965 -11.7617 -51.9172 -11.3935 TIMING: 4236400 CPU: 12310.6, 0.00297038/step Wall: 12310.6, 0.00297038/step, 0.63005 hours remaining, 207.121094 MB of memory in use. ENERGY: 4236400 729.0984 2003.8170 1947.1097 131.9616 -206209.8619 17778.8455 0.0000 0.0000 34026.3279 -149592.7017 297.1604 -183619.0297 -149489.8945 298.1805 -156.7253 -123.7039 557583.1693 8.4419 8.3784 PRESSURE: 4236600 -242.789 -132.097 -12.4345 -132.098 135.465 81.352 -12.4351 81.3524 101.257 GPRESSURE: 4236600 -252.725 -126.839 54.2989 -210.745 219.004 91.0996 -42.9725 79.049 129.391 PRESSAVG: 4236600 -7.60471 -18.0014 -8.709 -18.0014 10.6254 -45.9756 -8.70898 -45.9756 21.159 GPRESSAVG: 4236600 -9.39083 -17.9931 -7.61997 -18.1654 11.4136 -45.531 -10.5759 -44.5075 22.1721 TIMING: 4236600 CPU: 12311.2, 0.00288305/step Wall: 12311.2, 0.00288305/step, 0.611366 hours remaining, 207.121094 MB of memory in use. ENERGY: 4236600 722.8337 2080.7595 1945.7283 118.1757 -206193.0262 17688.3325 0.0000 0.0000 34019.9510 -149617.2454 297.1047 -183637.1964 -149525.1796 298.6609 -2.0222 31.8900 556586.6988 8.0599 8.0650 PRESSURE: 4236800 -53.5016 -126.244 -5.86625 -126.243 -38.6591 -38.6168 -5.86566 -38.6163 -255.454 GPRESSURE: 4236800 -43.7106 -102.336 -28.1839 -164.121 -23.4005 35.2309 28.6275 -100.909 -179.142 PRESSAVG: 4236800 -10.3266 -50.8842 34.6181 -50.8841 50.9064 -9.88357 34.6182 -9.88351 -30.092 GPRESSAVG: 4236800 -8.83517 -51.9127 34.8044 -51.0533 49.7417 -10.0494 36.3063 -8.49946 -30.882 TIMING: 4236800 CPU: 12311.8, 0.00289024/step Wall: 12311.8, 0.00289024/step, 0.612731 hours remaining, 207.121094 MB of memory in use. ENERGY: 4236800 735.5522 2024.5142 1943.8541 113.1628 -206113.9848 17573.3508 0.0000 0.0000 34113.8090 -149609.7417 297.9244 -183723.5507 -149509.0452 297.8644 -115.8715 -82.0843 557185.8017 3.4959 3.3415 PRESSURE: 4237000 -376.187 94.3952 -122.776 94.3957 -64.2036 54.5726 -122.776 54.5718 -223.615 GPRESSURE: 4237000 -308.791 100.179 -111.502 108.605 -75.5199 82.8738 17.7775 5.27497 -166.087 PRESSAVG: 4237000 62.4348 38.2604 46.9643 38.2604 30.7679 -10.7392 46.9644 -10.7392 -65.0176 GPRESSAVG: 4237000 62.8894 39.2276 46.2514 37.1311 30.8338 -11.5915 48.3867 -10.4949 -65.3568 TIMING: 4237000 CPU: 12312.3, 0.00290913/step Wall: 12312.3, 0.00290913/step, 0.616574 hours remaining, 207.324219 MB of memory in use. ENERGY: 4237000 765.9919 2105.7206 1934.2431 110.4937 -206132.1096 17462.0307 0.0000 0.0000 34145.7721 -149607.8575 298.2035 -183753.6296 -149512.4102 298.2057 -221.3350 -183.4660 557244.4874 9.3950 9.4554 PRESSURE: 4237200 99.6924 53.8256 1.79461 53.8269 -45.5169 110.501 1.7957 110.5 -24.535 GPRESSURE: 4237200 120.431 28.3417 -42.0669 60.8736 -18.8593 91.2702 63.9347 117.26 22.3353 PRESSAVG: 4237200 -54.1314 26.7315 40.5063 26.7315 -22.2263 22.0692 40.5064 22.0693 41.3872 GPRESSAVG: 4237200 -54.2937 23.8149 39.9626 29.6144 -22.1725 22.2682 40.109 21.3337 42.1521 TIMING: 4237200 CPU: 12312.9, 0.0029114/step Wall: 12312.9, 0.0029114/step, 0.616893 hours remaining, 207.324219 MB of memory in use. ENERGY: 4237200 779.7291 2023.2582 1969.1016 113.1127 -206550.9247 18102.3976 0.0000 0.0000 33938.0713 -149625.2542 296.3896 -183563.3254 -149528.4366 298.6648 9.8802 41.3025 557992.6144 -11.6568 -11.4380 PRESSURE: 4237400 236.821 35.2824 132.328 35.2823 -29.0662 -102.224 132.328 -102.221 -162.85 GPRESSURE: 4237400 243.537 -13.1805 97.0686 26.76 -11.7504 -125.732 167.433 -57.4748 -92.4772 PRESSAVG: 4237400 10.7367 26.8965 1.01059 26.8966 11.6377 25.0706 1.01067 25.0706 -19.0627 GPRESSAVG: 4237400 10.609 29.7267 2.19856 25.8213 12.6765 26.0856 -0.917811 25.1577 -20.0841 TIMING: 4237400 CPU: 12313.5, 0.00288757/step Wall: 12313.5, 0.00288757/step, 0.611684 hours remaining, 207.324219 MB of memory in use. ENERGY: 4237400 724.9897 2086.2654 1944.2649 118.4994 -206509.8776 17846.1363 0.0000 0.0000 34189.0772 -149600.6447 298.5817 -183789.7219 -149503.0002 297.9201 14.9683 46.4365 556064.3026 1.1039 1.0671 PRESSURE: 4237600 -27.1383 54.3827 -82.8026 54.3832 42.2113 -60.7877 -82.803 -60.7888 39.193 GPRESSURE: 4237600 33.0642 94.4238 -59.7045 16.7981 88.2131 -85.8102 -179.788 23.566 26.5831 PRESSAVG: 4237600 18.933 13.9135 23.2536 13.9135 -4.39607 -11.5971 23.2536 -11.597 -53.3025 GPRESSAVG: 4237600 19.1183 14.7836 22.6202 13.7542 -5.04831 -10.4356 25.2524 -12.8053 -52.3287 TIMING: 4237600 CPU: 12314.1, 0.00289225/step Wall: 12314.1, 0.00289225/step, 0.612514 hours remaining, 207.324219 MB of memory in use. ENERGY: 4237600 717.5271 2088.9416 1960.0064 128.5574 -206213.1847 17852.4280 0.0000 0.0000 33996.0609 -149469.6633 296.8961 -183465.7242 -149383.3478 298.2629 18.0887 49.2868 556163.8996 -12.9219 -12.7529 PRESSURE: 4237800 -207.596 70.9745 -80.3857 70.9745 2.2475 -185.289 -80.3858 -185.289 186.221 GPRESSURE: 4237800 -174.253 44.2086 -56.4913 88.3272 77.1304 -202.135 -120.83 -150.825 179.445 PRESSAVG: 4237800 -46.4147 -36.886 20.7011 -36.886 -32.7712 -0.79837 20.701 -0.798367 94.601 GPRESSAVG: 4237800 -47.3135 -37.6758 21.2025 -36.6979 -32.0262 -2.83206 19.2061 0.710877 95.0416 TIMING: 4237800 CPU: 12314.7, 0.00289686/step Wall: 12314.7, 0.00289686/step, 0.61333 hours remaining, 207.324219 MB of memory in use. ENERGY: 4237800 750.2373 2015.8658 1942.7347 103.8864 -205949.4898 17701.6395 0.0000 0.0000 33962.0234 -149473.1026 296.5988 -183435.1260 -149383.6591 298.6887 -6.3755 27.4407 556120.0411 5.1384 5.2340 PRESSURE: 4238000 115.725 98.5067 97.3423 98.5068 28.2459 23.3928 97.3413 23.3941 -134.34 GPRESSURE: 4238000 177.045 208.952 102.805 104.479 81.1243 81.1133 17.0799 14.6776 -178.2 PRESSAVG: 4238000 6.3307 -4.25124 23.0422 -4.25137 -15.2656 83.1314 23.0422 83.1314 -21.166 GPRESSAVG: 4238000 6.11722 -5.68834 22.5088 -3.39427 -15.2965 83.1438 23.6378 83.6889 -21.6071 TIMING: 4238000 CPU: 12315.2, 0.00289903/step Wall: 12315.2, 0.00289903/step, 0.613627 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4238000 760.7480 2100.6313 1941.2507 129.5284 -206198.4516 17833.2944 0.0000 0.0000 34286.7309 -149146.2679 299.4345 -183432.9988 -149051.3906 298.4552 3.2104 26.6562 555967.3699 -10.0336 -10.2621 PRESSURE: 4238200 -84.4104 -108.116 8.04757 -108.116 -93.5764 59.9677 8.04763 59.9669 -275.789 GPRESSURE: 4238200 -56.0369 -38.9155 24.6244 -173.025 -51.962 -16.3429 -14.3784 43.2974 -256.203 PRESSAVG: 4238200 62.0469 4.46209 44.5581 4.46208 2.04479 24.0333 44.5582 24.0334 -45.7411 GPRESSAVG: 4238200 61.8248 6.01592 46.3486 2.60029 1.92657 24.1655 42.552 23.6986 -45.8262 TIMING: 4238200 CPU: 12315.8, 0.00288611/step Wall: 12315.8, 0.00288611/step, 0.610734 hours remaining, 207.558594 MB of memory in use. ENERGY: 4238200 734.6557 2062.7466 1954.7832 112.1102 -205851.4880 17453.6433 0.0000 0.0000 34435.4952 -149098.0538 300.7337 -183533.5490 -149002.2643 299.5405 -151.2587 -121.4007 556954.1332 6.1169 5.9751 PRESSURE: 4238400 -138.421 48.8086 -23.1243 48.8094 -55.5622 135.973 -23.1236 135.972 -396.321 GPRESSURE: 4238400 -65.3264 71.8985 50.5931 54.5846 -98.6253 130.866 -23.3991 80.0421 -339.907 PRESSAVG: 4238400 52.1079 35.8542 -49.2114 35.8543 -38.9566 30.4278 -49.2114 30.4278 -5.99037 GPRESSAVG: 4238400 53.791 33.9263 -50.8628 39.2501 -38.7118 29.5744 -46.9985 30.427 -7.61427 TIMING: 4238400 CPU: 12316.4, 0.00290333/step Wall: 12316.4, 0.00290333/step, 0.614215 hours remaining, 207.558594 MB of memory in use. ENERGY: 4238400 749.4423 2105.7674 1943.5525 101.1212 -205648.0660 17331.1365 0.0000 0.0000 34293.5266 -149123.5194 299.4939 -183417.0459 -149031.2045 299.5991 -196.7682 -167.9530 556882.7785 2.3870 2.4883 PRESSURE: 4238600 -211.337 116.788 -174.588 116.788 149.6 18.4621 -174.586 18.4635 -248.416 GPRESSURE: 4238600 -175.865 56.706 -132.217 96.7989 131.691 14.9488 -187.585 -16.594 -166.669 PRESSAVG: 4238600 20.6117 -10.8255 -2.37557 -10.8254 74.387 50.0943 -2.37559 50.0943 -78.1961 GPRESSAVG: 4238600 19.6508 -10.5459 -3.38625 -14.1499 74.5369 52.7612 -0.871838 48.6499 -77.4572 TIMING: 4238600 CPU: 12317, 0.00289266/step Wall: 12317, 0.00289266/step, 0.611798 hours remaining, 207.558594 MB of memory in use. ENERGY: 4238600 748.7821 2099.8138 1937.5773 104.8152 -205762.1986 17639.4008 0.0000 0.0000 34162.2465 -149069.5628 298.3474 -183231.8093 -148972.2679 299.6979 -103.3846 -70.2811 557961.4945 5.6008 5.5768 PRESSURE: 4238800 -388.825 -20.6248 2.44513 -20.6248 -27.6843 231.753 2.44499 231.755 -155.935 GPRESSURE: 4238800 -394.339 -42.2555 10.361 12.8098 43.6109 244.104 -26.148 119.11 -120.627 PRESSAVG: 4238800 -55.3094 -2.61087 1.19756 -2.61095 81.9772 -15.525 1.19751 -15.525 4.7312 GPRESSAVG: 4238800 -55.061 -1.49753 0.971937 -1.47148 81.163 -15.2558 -1.25388 -15.3921 5.36128 TIMING: 4238800 CPU: 12317.6, 0.00288687/step Wall: 12317.6, 0.00288687/step, 0.610413 hours remaining, 207.558594 MB of memory in use. ENERGY: 4238800 744.7372 2097.8121 1935.0617 111.8168 -205662.7749 17519.7709 0.0000 0.0000 34230.1464 -149023.4298 298.9404 -183253.5762 -148923.1229 299.3937 -190.8150 -157.1185 558697.1145 10.4663 10.4878 PRESSURE: 4239000 66.061 60.4947 -33.2358 60.4942 -119.751 -86.4742 -33.2356 -86.4732 -60.8499 GPRESSURE: 4239000 132.06 93.9465 -86.9014 43.293 -112.87 -124.839 -51.5564 -44.8752 -42.7946 PRESSAVG: 4239000 -31.7978 -4.20673 24.3537 -4.2066 3.94794 -32.1815 24.3537 -32.1816 63.1192 GPRESSAVG: 4239000 -31.5354 -4.14337 26.0555 -6.4364 3.40534 -32.5541 24.6085 -33.3211 63.8016 TIMING: 4239000 CPU: 12318.1, 0.00292407/step Wall: 12318.1, 0.00292407/step, 0.618116 hours remaining, 207.558594 MB of memory in use. ENERGY: 4239000 729.6687 2020.5741 1945.5750 115.6398 -205866.4278 17685.5170 0.0000 0.0000 34312.3931 -149057.0600 299.6587 -183369.4531 -148955.0772 299.4119 -38.1799 -7.8682 557221.9326 11.7565 11.8905 PRESSURE: 4239200 -47.5284 54.9903 -145.563 54.9915 -19.081 37.6045 -145.561 37.6046 -330.928 GPRESSURE: 4239200 -25.8436 154.267 -159.162 112.201 -5.39156 101.785 -128.984 5.15807 -271.39 PRESSAVG: 4239200 -29.3505 -9.30339 3.08094 -9.30338 68.5353 46.4146 3.08088 46.4145 -63.8315 GPRESSAVG: 4239200 -30.4378 -9.26355 1.29924 -8.45248 70.1469 47.0688 2.69289 47.3927 -64.5206 TIMING: 4239200 CPU: 12318.7, 0.0028969/step Wall: 12318.7, 0.0028969/step, 0.612212 hours remaining, 207.558594 MB of memory in use. ENERGY: 4239200 759.5128 2080.7641 1946.9935 111.5333 -206098.5034 17729.8571 0.0000 0.0000 34450.4514 -149019.3913 300.8644 -183469.8426 -148924.0663 299.4260 -132.5125 -100.8751 557994.9194 -8.2156 -8.2705 PRESSURE: 4239400 270.78 -131.182 -9.26842 -131.18 -106.724 136.687 -9.26939 136.687 13.1293 GPRESSURE: 4239400 220.966 -50.1258 -59.2746 -109.427 -46.7561 164.479 -5.91947 143.932 98.0107 PRESSAVG: 4239400 10.5138 31.095 -40.1588 31.095 27.0131 36.0467 -40.1588 36.0466 -19.8989 GPRESSAVG: 4239400 10.6925 32.2467 -37.5692 31.9318 25.656 35.3793 -40.2248 37.5601 -18.7258 TIMING: 4239400 CPU: 12319.3, 0.00290462/step Wall: 12319.3, 0.00290462/step, 0.613681 hours remaining, 207.558594 MB of memory in use. ENERGY: 4239400 735.2832 2099.6957 1942.6034 119.8233 -206255.6296 17994.8595 0.0000 0.0000 34260.4568 -149102.9077 299.2051 -183363.3645 -149008.8095 299.6172 59.0617 90.7402 557851.5522 5.8760 5.8743 PRESSURE: 4239600 4.16257 -56.7833 108.824 -56.7827 -186.831 -91.4016 108.824 -91.4011 331.833 GPRESSURE: 4239600 102.339 -19.8249 68.9558 -26.1221 -167.439 -81.7462 136.539 -120.248 320.726 PRESSAVG: 4239600 23.5326 32.3603 21.158 32.3604 30.4814 39.378 21.158 39.378 -38.8358 GPRESSAVG: 4239600 22.771 31.8108 20.8693 32.774 33.0599 39.4809 21.7695 38.4216 -40.6873 TIMING: 4239600 CPU: 12319.9, 0.00287151/step Wall: 12319.9, 0.00287151/step, 0.606528 hours remaining, 207.558594 MB of memory in use. ENERGY: 4239600 725.1514 2109.7287 1939.3243 127.7957 -206142.8969 17929.7876 0.0000 0.0000 34150.0924 -149161.0168 298.2413 -183311.1091 -149074.7264 299.9221 49.7214 85.2088 557003.7185 5.0594 5.0479 PRESSURE: 4239800 -355.064 60.773 30.3366 60.773 14.4793 169.299 30.338 169.299 -88.861 GPRESSURE: 4239800 -328.881 103.943 8.17376 -15.4035 70.1388 149.969 -0.412407 198.81 -61.9993 PRESSAVG: 4239800 -32.1961 -15.286 33.6367 -15.286 58.4767 -7.07706 33.6368 -7.07717 -10.9825 GPRESSAVG: 4239800 -31.0074 -17.2271 35.1421 -14.7415 55.4864 -6.48791 33.6007 -8.0844 -9.5721 TIMING: 4239800 CPU: 12320.4, 0.00288642/step Wall: 12320.4, 0.00288642/step, 0.609516 hours remaining, 207.558594 MB of memory in use. ENERGY: 4239800 771.9545 2068.7618 1938.1993 119.2988 -206217.1465 17761.2798 0.0000 0.0000 34269.8304 -149287.8219 299.2870 -183557.6523 -149181.9386 299.3756 -143.1484 -106.9140 557866.2854 5.0994 4.9690 PRESSURE: 4240000 -138.656 -51.3313 151.616 -51.3306 -120.661 179.142 151.615 179.142 -137.071 GPRESSURE: 4240000 -99.5429 4.06107 83.8958 -87.4751 -19.3166 81.7612 180.355 194.353 -170.394 PRESSAVG: 4240000 -42.5053 -19.9069 -33.762 -19.9068 21.0008 32.0091 -33.762 32.0091 4.03647 GPRESSAVG: 4240000 -42.0025 -20.3811 -37.1285 -19.7617 21.1091 30.528 -32.6866 33.4407 3.0321 TIMING: 4240000 CPU: 12321, 0.00291943/step Wall: 12321, 0.00291943/step, 0.616324 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4240000 771.6501 2129.0184 1893.9903 103.6960 -206211.7246 17724.5216 0.0000 0.0000 34350.6573 -149238.1909 299.9928 -183588.8482 -149140.2569 298.9408 -132.1292 -96.4178 556679.5591 -5.8227 -5.9538 PRESSURE: 4240200 -72.0111 108.441 -26.3543 108.442 37.1389 218.373 -26.3552 218.371 170.786 GPRESSURE: 4240200 2.57109 62.367 -115.824 158.375 89.3616 170.664 5.9953 238.576 146.734 PRESSAVG: 4240200 25.9717 -34.3936 -10.3561 -34.3936 55.1547 62.1532 -10.3561 62.1532 -45.0186 GPRESSAVG: 4240200 25.1549 -32.9535 -8.93551 -34.4374 56.1277 61.654 -12.39 62.5931 -45.4319 TIMING: 4240200 CPU: 12321.6, 0.00290444/step Wall: 12321.6, 0.00290444/step, 0.612999 hours remaining, 207.558594 MB of memory in use. ENERGY: 4240200 742.0042 2095.4293 1923.6624 104.7025 -206354.9943 17967.4251 0.0000 0.0000 34234.9253 -149286.8456 298.9821 -183521.7709 -149197.9083 299.1642 45.3045 79.5554 557714.2524 12.0359 11.9502 LDB: ============= START OF LOAD BALANCING ============== 12325.1 LDB: ============== END OF LOAD BALANCING =============== 12325.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12325.1 LDB: ============= START OF LOAD BALANCING ============== 12325.4 LDB: Largest compute 4848 load 0.026770 is 22.7% of average load 0.117769 LDB: Average compute 0.001743 is 1.5% of average load 0.117769 LDB: TIME 12325.4 LOAD: AVG 0.117769 MAX 0.178927 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.129 MB LDB: TIME 12325.4 LOAD: AVG 0.117769 MAX 0.178927 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: TIME 12325.4 LOAD: AVG 0.117769 MAX 0.178927 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.129 MB LDB: ============== END OF LOAD BALANCING =============== 12325.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12325.4 PRESSURE: 4240400 69.7149 -97.4765 -52.9073 -97.4763 -101.524 1.75343 -52.9079 1.75344 -81.4193 GPRESSURE: 4240400 47.4544 -54.9071 -46.054 -96.2949 -61.1734 -52.9419 11.1301 -49.2188 -3.62398 PRESSAVG: 4240400 -2.97537 45.1001 22.9885 45.1 -13.982 39.4362 22.9885 39.4361 16.4949 GPRESSAVG: 4240400 -1.1427 46.4801 22.6538 43.3104 -13.9318 41.6629 23.0703 37.6428 14.6122 TIMING: 4240400 CPU: 12322.2, 0.00294606/step Wall: 12322.2, 0.00294606/step, 0.621618 hours remaining, 207.925781 MB of memory in use. ENERGY: 4240400 768.2897 2040.6057 1948.9198 98.4944 -205755.7827 17564.7947 0.0000 0.0000 34148.9464 -149185.7320 298.2312 -183334.6784 -149094.0195 299.8172 -37.7428 -5.7810 557182.9204 -0.1541 -0.1541 PRESSURE: 4240600 156.309 82.2143 99.1543 82.2151 -169.79 -118.46 99.1547 -118.46 -160.24 GPRESSURE: 4240600 173.387 26.6606 69.701 126.536 -158.962 -99.4549 203.252 -61.8728 -90.4793 PRESSAVG: 4240600 -22.6535 -7.7922 57.3024 -7.79219 19.5262 86.192 57.3024 86.1919 -15.7604 GPRESSAVG: 4240600 -24.0885 -10.3242 56.5767 -6.13735 19.6273 82.6934 55.5737 89.4253 -14.6044 TIMING: 4240600 CPU: 12322.8, 0.00291521/step Wall: 12322.8, 0.00291521/step, 0.614948 hours remaining, 208.128906 MB of memory in use. ENERGY: 4240600 703.7439 2039.5046 1924.5404 104.8895 -205762.3250 17652.9957 0.0000 0.0000 34256.5391 -149080.1118 299.1709 -183336.6510 -148983.8118 299.5420 -57.9070 -25.3517 557802.7693 -6.2959 -6.3552 PRESSURE: 4240800 141.501 59.2034 100.751 59.2026 -120.469 -79.9812 100.753 -79.981 30.7799 GPRESSURE: 4240800 140.42 28.3359 91.5102 7.81911 -46.364 -44.8481 90.4642 -123.144 53.8618 PRESSAVG: 4240800 -17.4046 20.2079 -17.7261 20.2079 -31.102 4.44382 -17.7261 4.44387 16.1201 GPRESSAVG: 4240800 -17.8417 21.593 -15.8825 18.4939 -31.3365 4.2861 -14.9125 4.17218 16.7581 TIMING: 4240800 CPU: 12323.4, 0.00290581/step Wall: 12323.4, 0.00290581/step, 0.612802 hours remaining, 208.128906 MB of memory in use. ENERGY: 4240800 734.7721 2147.7005 1964.6973 110.6341 -206082.5222 17746.0178 0.0000 0.0000 34166.3236 -149212.3768 298.3830 -183378.7004 -149122.4801 299.2150 17.2706 49.3061 557195.4974 -10.7955 -10.8067 PRESSURE: 4241000 -29.4523 -77.2096 89.5718 -77.2105 58.4486 -227.956 89.5708 -227.956 -39.0287 GPRESSURE: 4241000 -23.6486 -68.0101 155.77 -18.357 101.764 -218.323 59.5789 -229.967 11.4182 PRESSAVG: 4241000 -17.9161 19.1362 -11.8967 19.1362 17.7546 6.72442 -11.8967 6.72443 -4.17021 GPRESSAVG: 4241000 -17.1295 19.6036 -13.5033 20.6401 17.6979 7.61818 -13.7664 6.34956 -5.0336 TIMING: 4241000 CPU: 12323.9, 0.0028933/step Wall: 12323.9, 0.0028933/step, 0.610005 hours remaining, 208.128906 MB of memory in use. ENERGY: 4241000 761.5825 2088.6292 1956.8120 116.5538 -206036.7192 17777.7429 0.0000 0.0000 34432.0601 -148903.3387 300.7037 -183335.3987 -148798.5318 299.5685 -3.3441 29.8444 558218.5257 -1.4439 -1.4884 PRESSURE: 4241200 308.729 194.946 -41.2159 194.947 83.4324 -4.01909 -41.2162 -4.0191 80.0199 GPRESSURE: 4241200 288.299 274.998 -31.2642 219.988 110.738 -42.9521 -60.8897 -11.651 156.226 PRESSAVG: 4241200 -30.7364 13.4423 -14.6713 13.4422 37.7326 -6.80449 -14.6712 -6.80447 17.8502 GPRESSAVG: 4241200 -31.0898 12.8251 -13.672 13.7633 37.419 -5.50793 -15.4553 -9.98261 18.6174 TIMING: 4241200 CPU: 12324.5, 0.00289376/step Wall: 12324.5, 0.00289376/step, 0.60994 hours remaining, 208.332031 MB of memory in use. ENERGY: 4241200 727.8415 2152.9249 1943.8544 111.7563 -206013.8047 18003.3885 0.0000 0.0000 34288.4004 -148785.6387 299.4491 -183074.0391 -148689.8121 300.8128 157.3937 185.0874 559393.0948 8.2821 8.3156 PRESSURE: 4241400 171.174 -51.2179 44.3084 -51.2183 42.5171 182.32 44.3089 182.321 -35.156 GPRESSURE: 4241400 176.31 -63.573 -21.2252 -39.3457 68.0583 31.5689 25.4417 267.388 40.586 PRESSAVG: 4241400 -2.48432 -30.3555 -12.8777 -30.3555 -29.6267 51.4033 -12.8777 51.4034 80.0661 GPRESSAVG: 4241400 -2.30408 -30.9359 -13.0159 -29.8396 -30.4104 48.1035 -12.7445 54.4731 80.3858 TIMING: 4241400 CPU: 12325.1, 0.0028989/step Wall: 12325.1, 0.0028989/step, 0.610863 hours remaining, 208.332031 MB of memory in use. ENERGY: 4241400 752.3961 2105.9572 1938.2470 128.2331 -206196.3644 17897.1060 0.0000 0.0000 34572.9531 -148801.4718 301.9342 -183374.4250 -148702.7664 300.5000 59.5119 94.9847 557840.4677 15.9850 15.8904 PRESSURE: 4241600 40.0592 104.2 135.249 104.201 -164.439 -117.74 135.249 -117.738 113.104 GPRESSURE: 4241600 112.702 129.544 114.755 103.712 -129.654 -151.211 86.4219 -100.993 90.5908 PRESSAVG: 4241600 -2.11374 -17.0742 -41.4469 -17.0742 -51.3985 4.53104 -41.4469 4.53103 40.005 GPRESSAVG: 4241600 -2.44033 -17.7162 -41.9851 -18.5024 -50.4092 7.55366 -40.7232 2.8426 39.026 TIMING: 4241600 CPU: 12325.7, 0.00289296/step Wall: 12325.7, 0.00289296/step, 0.60945 hours remaining, 208.332031 MB of memory in use. ENERGY: 4241600 742.4766 2096.3507 1971.6388 119.5129 -206029.8917 17722.5953 0.0000 0.0000 34403.5039 -148973.8136 300.4544 -183377.3174 -148876.5352 300.0272 -3.7583 24.5463 557132.7979 -4.5024 -4.6078 PRESSURE: 4241800 -79.65 -55.0935 -20.2615 -55.0929 -109.221 43.4149 -20.2618 43.4138 87.3673 GPRESSURE: 4241800 -84.3787 1.99417 -80.2541 -3.28411 -29.6262 72.2467 43.1461 -8.8224 98.502 PRESSAVG: 4241800 1.7909 33.0183 -15.6471 33.0183 -33.1711 -8.64347 -15.6471 -8.64352 32.4943 GPRESSAVG: 4241800 1.2859 34.0013 -15.1754 34.9214 -34.0147 -10.9863 -14.426 -7.71566 33.4255 TIMING: 4241800 CPU: 12326.3, 0.0029087/step Wall: 12326.3, 0.0029087/step, 0.612605 hours remaining, 208.332031 MB of memory in use. ENERGY: 4241800 736.9750 2061.5941 1953.4860 115.6125 -205836.5232 17705.9441 0.0000 0.0000 34468.9505 -148793.9608 301.0259 -183262.9114 -148685.9730 300.0837 -33.8344 -5.1676 558308.2625 0.3714 0.2322 PRESSURE: 4242000 -44.3364 -2.74005 27.1957 -2.73961 -173.192 -1.77895 27.196 -1.78014 82.5778 GPRESSURE: 4242000 -45.7271 -46.5345 -53.9633 21.1885 -125.713 11.9935 -8.39806 -8.41158 135.111 PRESSAVG: 4242000 3.39185 -0.574766 -23.1213 -0.574815 -49.9462 28.4879 -23.1212 28.4879 69.0646 GPRESSAVG: 4242000 3.95487 -1.44556 -25.2577 -1.32637 -51.3457 32.211 -24.0168 26.8794 69.6375 TIMING: 4242000 CPU: 12326.8, 0.00289243/step Wall: 12326.8, 0.00289243/step, 0.609017 hours remaining, 208.332031 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: 4242000 746.2304 2115.4227 1985.4559 109.5590 -205577.6276 17562.0779 0.0000 0.0000 34317.5199 -148741.3618 299.7034 -183058.8816 -148643.6522 300.7445 -44.9835 -12.1099 558882.6206 7.5034 7.4155 PRESSURE: 4242200 -283.698 66.2411 66.1919 66.2426 -48.4611 -9.6103 66.1913 -9.6111 55.8405 GPRESSURE: 4242200 -232.856 36.4915 -48.4159 149.369 -31.8889 -14.2231 124.474 -12.1112 87.863 PRESSAVG: 4242200 -41.7687 13.702 -54.9753 13.702 -35.1239 -35.4914 -54.9752 -35.4915 75.2381 GPRESSAVG: 4242200 -41.2869 14.3727 -55.0209 14.6683 -34.2453 -36.9015 -53.5586 -34.0464 73.6962 TIMING: 4242200 CPU: 12327.4, 0.00288141/step Wall: 12327.4, 0.00288141/step, 0.606537 hours remaining, 208.332031 MB of memory in use. ENERGY: 4242200 756.8373 2106.7597 1938.7775 108.9369 -205688.9287 17620.6549 0.0000 0.0000 34354.4144 -148802.5479 300.0256 -183156.9623 -148705.2202 300.1927 -92.1062 -58.9608 558046.9244 -0.5515 -0.6120 PRESSURE: 4242400 177.491 -74.3733 68.129 -74.3724 130.587 -38.2306 68.1278 -38.2296 -96.2099 GPRESSURE: 4242400 136.174 -79.1502 84.8555 -44.9393 145.309 -34.8895 125.52 -44.3248 21.1998 PRESSAVG: 4242400 -48.8429 24.7891 30.5225 24.7892 -46.3051 0.287303 30.5225 0.287404 47.079 GPRESSAVG: 4242400 -49.2265 23.5906 32.0438 24.0805 -45.2224 -0.140352 31.5336 -0.70696 46.43 TIMING: 4242400 CPU: 12328, 0.00289567/step Wall: 12328, 0.00289567/step, 0.609377 hours remaining, 208.332031 MB of memory in use. ENERGY: 4242400 723.1364 2130.8971 1937.6443 116.4033 -205666.6363 17834.4543 0.0000 0.0000 34277.3301 -148646.7708 299.3524 -182924.1010 -148548.7789 299.8107 70.6230 100.8943 557202.5112 -16.0230 -16.0063 PRESSURE: 4242600 183.289 42.6753 29.7579 42.6743 -125.015 -46.4058 29.7584 -46.4048 -154.749 GPRESSURE: 4242600 210.37 13.772 7.78215 27.9801 -141.236 73.2989 28.1191 -102.733 -52.3208 PRESSAVG: 4242600 -24.9812 93.5665 83.33 93.5665 -2.77708 0.0260523 83.33 0.0259932 21.8892 GPRESSAVG: 4242600 -25.6257 94.4274 84.7776 92.7074 -2.47731 1.30642 80.8552 -0.927972 22.7679 TIMING: 4242600 CPU: 12328.6, 0.00289785/step Wall: 12328.6, 0.00289785/step, 0.609675 hours remaining, 208.332031 MB of memory in use. ENERGY: 4242600 752.5479 2107.4427 1934.3566 120.1177 -205839.9599 17750.8037 0.0000 0.0000 34383.3809 -148791.3103 300.2786 -183174.6912 -148693.6383 300.1083 -32.1584 5.6044 557834.3159 -1.9564 -1.7784 PRESSURE: 4242800 -190.713 -57.1323 -16.3941 -57.1323 -145.525 -36.5393 -16.394 -36.5377 -46.8964 GPRESSURE: 4242800 -158.11 -94.119 -58.9812 -21.3837 -104.387 -105.736 15.8996 39.6225 -28.9729 PRESSAVG: 4242800 6.77111 18.2685 21.3195 18.2685 -1.87806 -24.6418 21.3195 -24.6418 1.25832 GPRESSAVG: 4242800 6.80557 19.951 19.1509 17.0523 -3.31001 -27.1925 24.1839 -20.9813 2.58749 TIMING: 4242800 CPU: 12329.2, 0.00291063/step Wall: 12329.2, 0.00291063/step, 0.612203 hours remaining, 208.332031 MB of memory in use. ENERGY: 4242800 763.3964 2064.6209 1949.6708 119.0175 -205977.8079 17720.4219 0.0000 0.0000 34531.1022 -148829.5783 301.5687 -183360.6805 -148734.9782 300.6590 -127.7114 -97.1568 557405.7434 2.0505 2.0277 PRESSURE: 4243000 83.8902 216.121 210.988 216.121 -253.045 -166.362 210.989 -166.361 305.13 GPRESSURE: 4243000 112.495 276.219 201.02 263.935 -182.017 -126.658 249.318 -143.528 294.502 PRESSAVG: 4243000 33.8449 -2.14455 17.2735 -2.14465 -16.706 -85.9773 17.2734 -85.9771 18.3115 GPRESSAVG: 4243000 34.1347 -1.37229 19.645 -1.00971 -15.7222 -84.2303 14.1082 -86.7487 17.4535 TIMING: 4243000 CPU: 12329.7, 0.00288963/step Wall: 12329.7, 0.00288963/step, 0.607626 hours remaining, 208.332031 MB of memory in use. ENERGY: 4243000 740.3246 2097.8203 1943.3964 108.8564 -206147.9588 17858.3378 0.0000 0.0000 34467.0201 -148932.2031 301.0091 -183399.2232 -148826.7800 299.9691 45.3250 74.9934 556802.4976 11.8168 11.9553 PRESSURE: 4243200 314.232 200.761 -10.0899 200.761 -125.153 23.0839 -10.0901 23.0841 78.0077 GPRESSURE: 4243200 321.33 184.029 -25.5435 156.879 -103.175 58.3356 -36.3649 31.8041 147.675 PRESSAVG: 4243200 82.2535 10.7236 53.0944 10.7237 -73.6084 2.47634 53.0944 2.47642 -27.8414 GPRESSAVG: 4243200 82.3182 10.1875 53.5161 12.1534 -74.2946 2.35565 52.9066 1.36081 -27.531 TIMING: 4243200 CPU: 12330.3, 0.0028896/step Wall: 12330.3, 0.0028896/step, 0.607457 hours remaining, 208.332031 MB of memory in use. ENERGY: 4243200 714.2049 2058.1103 1934.5204 119.6148 -206344.2800 17866.1523 0.0000 0.0000 34615.6951 -149035.9821 302.3075 -183651.6772 -148942.5508 300.1046 89.0289 121.9431 555961.4080 -6.3988 -6.5025 PRESSURE: 4243400 100.878 10.3362 -36.4282 10.338 -184.428 -158.358 -36.4283 -158.357 -313.008 GPRESSURE: 4243400 157.677 -7.31835 -1.79508 -8.02548 -217.936 -179.725 -27.9234 -154.783 -233.637 PRESSAVG: 4243400 -2.34404 16.6188 75.3039 16.6189 -75.921 8.32427 75.3039 8.32424 30.9165 GPRESSAVG: 4243400 -3.61276 17.4397 73.7768 17.0028 -76.4953 7.95996 77.7856 8.26778 31.8965 TIMING: 4243400 CPU: 12330.9, 0.00288769/step Wall: 12330.9, 0.00288769/step, 0.606896 hours remaining, 208.332031 MB of memory in use. ENERGY: 4243400 772.5220 2039.0969 1943.7182 112.9385 -205544.3616 17488.9144 0.0000 0.0000 34049.0107 -149138.1611 297.3585 -183187.1717 -149042.9443 299.5826 -132.1859 -97.9654 557684.4563 -15.7829 -16.0705 PRESSURE: 4243600 -182.097 -15.5275 68.8939 -15.5256 334.115 -257.13 68.8945 -257.13 -91.6055 GPRESSURE: 4243600 -104.316 0.209668 125.243 68.6458 368.107 -288.019 9.46876 -263.19 -93.1629 PRESSAVG: 4243600 -16.6173 -9.04452 -21.2626 -9.04452 51.8251 -53.7674 -21.2626 -53.7674 -13.6096 GPRESSAVG: 4243600 -15.8663 -10.4406 -20.8674 -10.2022 51.9406 -52.6082 -23.1115 -55.9233 -14.394 TIMING: 4243600 CPU: 12331.5, 0.00290909/step Wall: 12331.5, 0.00290909/step, 0.611232 hours remaining, 208.332031 MB of memory in use. ENERGY: 4243600 745.3032 2126.3125 1928.6475 116.4582 -206089.8623 17764.3615 0.0000 0.0000 34241.3375 -149167.4419 299.0381 -183408.7794 -149073.8224 298.9017 20.1375 56.8761 555228.3253 7.1994 7.2268 PRESSURE: 4243800 66.2289 -9.94312 -114.181 -9.94355 -121.075 -42.0236 -114.181 -42.0245 -225.79 GPRESSURE: 4243800 73.1406 21.2479 -103.897 0.371554 -42.5671 -77.6608 -95.3788 18.5609 -216.174 PRESSAVG: 4243800 13.7424 -10.3584 -10.0973 -10.3585 52.3952 -7.23917 -10.0973 -7.2392 -48.9947 GPRESSAVG: 4243800 13.9732 -10.8542 -11.2695 -8.58421 52.9306 -10.0206 -7.89213 -5.21117 -49.2082 TIMING: 4243800 CPU: 12332.1, 0.0029299/step Wall: 12332.1, 0.0029299/step, 0.615441 hours remaining, 208.332031 MB of memory in use. ENERGY: 4243800 782.7336 2038.3227 1951.2107 109.9277 -206030.0916 17853.9162 0.0000 0.0000 34241.9455 -149052.0353 299.0434 -183293.9808 -148944.4626 298.8286 -93.5455 -61.8668 558092.0733 5.7143 5.8985 PRESSURE: 4244000 43.2296 -8.35726 26.5547 -8.35728 -64.7372 -26.8803 26.5541 -26.8811 -89.5103 GPRESSURE: 4244000 40.1319 -7.6636 154.69 -12.3406 20.7355 -44.2932 -115.625 -43.8677 -91.3848 PRESSAVG: 4244000 11.3222 -2.15728 31.4523 -2.15723 41.1359 3.43812 31.4524 3.43801 -30.2234 GPRESSAVG: 4244000 10.7555 -1.04411 33.9266 -4.05063 41.1689 6.17273 27.1835 2.66031 -29.9523 TIMING: 4244000 CPU: 12332.6, 0.00290558/step Wall: 12332.6, 0.00290558/step, 0.610173 hours remaining, 208.332031 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: 4244000 767.1128 2038.9052 1950.2771 108.1974 -206023.7452 17728.7588 0.0000 0.0000 34340.2740 -149090.2199 299.9022 -183430.4939 -148991.7225 299.3640 -37.0059 -10.1725 557894.4297 7.4116 7.3241 PRESSURE: 4244200 106.164 -20.6407 138.361 -20.6402 -176.94 -49.2089 138.36 -49.2113 7.22973 GPRESSURE: 4244200 109.007 27.3774 87.2612 20.9211 -129.651 -132.978 76.6016 37.8407 59.2856 PRESSAVG: 4244200 -43.3311 21.9671 -7.53547 21.9671 -36.5853 -36.3827 -7.5354 -36.3826 52.7203 GPRESSAVG: 4244200 -43.8377 20.7315 -8.9906 22.9355 -36.0947 -37.8592 -4.21993 -34.3943 53.205 TIMING: 4244200 CPU: 12333.2, 0.00289644/step Wall: 12333.2, 0.00289644/step, 0.608092 hours remaining, 208.332031 MB of memory in use. ENERGY: 4244200 767.9438 2142.1754 1951.2995 125.2035 -206116.4938 17709.4340 0.0000 0.0000 34520.1326 -148900.3050 301.4729 -183420.4376 -148800.1649 299.7921 -21.1822 12.8806 556545.0129 -9.0654 -8.9091 LDB: ============= START OF LOAD BALANCING ============== 12336.7 LDB: ============== END OF LOAD BALANCING =============== 12336.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12336.7 LDB: ============= START OF LOAD BALANCING ============== 12337 LDB: Largest compute 4848 load 0.026789 is 22.8% of average load 0.117742 LDB: Average compute 0.001746 is 1.5% of average load 0.117742 LDB: TIME 12337 LOAD: AVG 0.117742 MAX 0.175671 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 12337 LOAD: AVG 0.117742 MAX 0.175671 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.68 MB LDB: TIME 12337 LOAD: AVG 0.117742 MAX 0.175671 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.68 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12337 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12337 PRESSURE: 4244400 91.8367 91.8891 -65.193 91.8885 70.4958 92.168 -65.1919 92.1681 372.534 GPRESSURE: 4244400 126.245 71.2004 -39.4213 144.851 95.9806 60.8524 -112.934 176.928 407.216 PRESSAVG: 4244400 -11.197 -39.2984 16.3859 -39.2984 11.1319 -27.3522 16.386 -27.3522 31.2179 GPRESSAVG: 4244400 -10.1978 -38.241 15.9694 -38.7657 10.5511 -27.2114 17.6798 -28.8997 30.2843 TIMING: 4244400 CPU: 12333.8, 0.00297349/step Wall: 12333.8, 0.00297349/step, 0.624102 hours remaining, 206.187500 MB of memory in use. ENERGY: 4244400 765.4974 2129.0754 1957.3372 125.2290 -206408.2739 18176.7013 0.0000 0.0000 34377.9661 -148876.4674 300.2313 -183254.4335 -148779.7750 300.5887 178.2887 209.8141 556115.0527 10.3843 10.2126 PRESSURE: 4244600 -77.3224 -1.00836 -248.505 -1.00887 -372.907 81.6901 -248.504 81.6923 -292.328 GPRESSURE: 4244600 -72.4822 59.0807 -194.682 -2.66135 -280.423 131.267 -247.274 86.3708 -288.224 PRESSAVG: 4244600 -0.135641 74.7209 -34.4534 74.7209 -38.7768 10.5844 -34.4534 10.5845 25.6876 GPRESSAVG: 4244600 -0.614487 75.2387 -34.4226 73.4715 -38.8685 11.5389 -36.4585 11.0369 26.7523 TIMING: 4244600 CPU: 12334.4, 0.00292141/step Wall: 12334.4, 0.00292141/step, 0.613008 hours remaining, 206.187500 MB of memory in use. ENERGY: 4244600 766.6222 2111.0060 1924.5929 102.2765 -205903.0449 17553.3396 0.0000 0.0000 34462.7005 -148982.5071 300.9713 -183445.2076 -148879.1555 300.8396 -247.5190 -213.7098 559390.0432 -4.4083 -4.2436 PRESSURE: 4244800 -44.0574 83.0039 -30.4796 83.0032 11.4503 -25.4142 -30.4799 -25.4151 139.237 GPRESSURE: 4244800 -60.1 132.843 -10.3815 42.0105 47.9741 -80.3205 -31.1794 72.0813 220.752 PRESSAVG: 4244800 -39.1519 25.4555 17.1676 25.4555 22.4691 -44.1839 17.1675 -44.184 38.9569 GPRESSAVG: 4244800 -40.4162 26.2573 17.4854 24.9786 23.305 -44.3428 18.469 -45.1069 39.5942 TIMING: 4244800 CPU: 12335, 0.00289229/step Wall: 12335, 0.00289229/step, 0.606738 hours remaining, 206.187500 MB of memory in use. ENERGY: 4244800 760.5203 2087.1891 1946.2378 115.7789 -206148.5288 17935.5102 0.0000 0.0000 34309.3841 -148993.9083 299.6324 -183303.2924 -148895.3938 300.1326 35.5434 69.5421 558700.6970 7.4247 7.4943 PRESSURE: 4245000 53.7803 -43.6784 56.1467 -43.678 43.6025 62.9959 56.1464 62.9955 -99.528 GPRESSURE: 4245000 86.6887 -66.511 21.5141 9.48139 102.801 9.35318 -2.88389 55.0402 -81.6874 PRESSAVG: 4245000 22.4843 -9.62479 -41.378 -9.62469 -3.82347 -5.32009 -41.378 -5.31996 10.8688 GPRESSAVG: 4245000 22.8867 -10.0252 -39.8255 -8.50499 -4.27317 -6.09761 -42.3948 -4.66954 11.052 TIMING: 4245000 CPU: 12335.6, 0.00290276/step Wall: 12335.6, 0.00290276/step, 0.608772 hours remaining, 206.187500 MB of memory in use. ENERGY: 4245000 757.3218 2136.1935 1971.4383 118.7547 -206175.6168 17918.1985 0.0000 0.0000 34259.1195 -149014.5904 299.1934 -183273.7099 -148922.4315 299.7734 -0.7151 35.9340 558047.3593 9.8432 9.8885 PRESSURE: 4245200 3.69971 19.5983 -153.037 19.5987 151.966 41.0482 -153.036 41.049 60.8157 GPRESSURE: 4245200 73.7891 -2.37865 -142.252 34.9951 156.459 86.5218 -116.666 85.308 85.7247 PRESSAVG: 4245200 -25.0394 -55.8079 1.33189 -55.808 37.0213 15.1845 1.33178 15.1846 -32.4026 GPRESSAVG: 4245200 -24.3213 -55.3961 -0.292562 -56.7504 36.5928 15.0238 3.0481 16.5964 -33.0038 TIMING: 4245200 CPU: 12336.1, 0.0028951/step Wall: 12336.1, 0.0028951/step, 0.607005 hours remaining, 206.187500 MB of memory in use. ENERGY: 4245200 734.2452 2092.9289 1957.8265 105.7316 -206004.6359 17786.1975 0.0000 0.0000 34323.4227 -149004.2836 299.7550 -183327.7063 -148909.5708 299.9627 72.1605 105.3242 556685.3923 -6.8069 -6.9108 PRESSURE: 4245400 -118.608 16.5207 77.7436 16.5205 -54.7484 -128.415 77.7435 -128.415 138.994 GPRESSURE: 4245400 -111.477 20.8043 27.3151 17.6741 5.55812 -129.907 49.2117 -149.464 166.6 PRESSAVG: 4245400 67.0615 -17.4846 58.6432 -17.4847 -55.4522 -0.43018 58.6432 -0.430082 -45.4626 GPRESSAVG: 4245400 66.904 -18.9717 57.9882 -17.744 -55.9395 -0.4567 56.7264 -1.80198 -45.2969 TIMING: 4245400 CPU: 12336.7, 0.00289508/step Wall: 12336.7, 0.00289508/step, 0.606841 hours remaining, 206.187500 MB of memory in use. ENERGY: 4245400 750.0039 2077.9812 1939.8307 121.9576 -206059.8407 17647.3092 0.0000 0.0000 34650.7514 -148872.0068 302.6136 -183522.7582 -148782.5067 299.8090 -11.4541 20.2270 557415.5878 -11.2844 -11.4441 PRESSURE: 4245600 131.073 74.0305 142.094 74.0307 -56.0652 9.42573 142.094 9.42517 -124.472 GPRESSURE: 4245600 152.435 35.9935 34.8306 60.5764 10.2103 -44.7046 119.355 -20.2808 -110.327 PRESSAVG: 4245600 56.671 -18.7439 -7.49775 -18.7439 -36.7799 28.3486 -7.49771 28.3486 -28.56 GPRESSAVG: 4245600 56.9123 -19.6425 -6.6586 -17.5763 -36.4603 28.4637 -6.02096 28.292 -28.5564 TIMING: 4245600 CPU: 12337.3, 0.00290002/step Wall: 12337.3, 0.00290002/step, 0.607715 hours remaining, 206.187500 MB of memory in use. ENERGY: 4245600 774.8022 2134.9979 1958.5949 122.0704 -205988.7602 17786.2482 0.0000 0.0000 34480.2280 -148731.8185 301.1244 -183212.0465 -148632.4612 300.6383 -16.4882 17.4395 558133.5955 -2.8897 -2.7015 PRESSURE: 4245800 34.8879 78.7519 99.5641 78.7519 62.6828 42.1554 99.5643 42.154 234.849 GPRESSURE: 4245800 81.9692 239.125 54.0693 -41.512 70.834 36.0353 158.6 117.135 276.024 PRESSAVG: 4245800 4.89026 2.0614 33.9552 2.06143 29.594 -5.01622 33.9552 -5.01615 -43.4383 GPRESSAVG: 4245800 4.69376 3.97516 34.1759 0.432266 29.4785 -4.76839 34.9544 -5.22465 -43.5889 TIMING: 4245800 CPU: 12337.9, 0.00289229/step Wall: 12337.9, 0.00289229/step, 0.605935 hours remaining, 206.187500 MB of memory in use. ENERGY: 4245800 761.5798 2071.3740 1938.6044 125.6248 -206015.4725 17882.6206 0.0000 0.0000 34203.8995 -149031.7692 298.7112 -183235.6687 -148932.4819 300.5088 110.8066 142.9426 556532.2039 -2.9847 -3.1389 PRESSURE: 4246000 -67.2752 -154.67 -96.8445 -154.671 -290.967 -58.5487 -96.8437 -58.5498 38.0261 GPRESSURE: 4246000 -18.6651 -119.071 -56.7909 -94.6615 -229.97 -118.743 -141.842 98.6514 38.4802 PRESSAVG: 4246000 -25.7996 5.73461 53.4657 5.7345 -24.2532 -9.17032 53.4657 -9.17039 88.6171 GPRESSAVG: 4246000 -26.0562 7.93151 53.5839 3.87913 -24.7336 -9.98915 49.9022 -6.26963 89.5746 TIMING: 4246000 CPU: 12338.5, 0.00290541/step Wall: 12338.5, 0.00290541/step, 0.608522 hours remaining, 206.187500 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: 4246000 725.8923 2069.0444 1935.3091 109.6227 -205982.9232 17732.7728 0.0000 0.0000 34238.4337 -149171.8481 299.0128 -183410.2818 -149070.8870 300.1587 -106.7386 -70.0516 558821.2615 12.8548 12.9283 PRESSURE: 4246200 -54.0134 47.5085 -54.1488 47.5069 5.3507 -30.2322 -54.1486 -30.2345 -103.908 GPRESSURE: 4246200 -27.8965 25.4529 -109.757 66.6456 27.7544 25.2737 1.92681 -94.3555 -47.5992 PRESSAVG: 4246200 14.6928 47.6312 -15.9532 47.6312 -66.1025 -77.7749 -15.9531 -77.7749 36.872 GPRESSAVG: 4246200 14.3097 44.5456 -15.1007 48.658 -66.0599 -77.1914 -12.6804 -79.9331 36.995 TIMING: 4246200 CPU: 12339, 0.00289901/step Wall: 12339, 0.00289901/step, 0.607021 hours remaining, 206.257812 MB of memory in use. ENERGY: 4246200 703.4353 2109.2136 1955.5884 117.6305 -206153.2201 17781.8973 0.0000 0.0000 34233.4496 -149252.0053 298.9692 -183485.4549 -149158.8858 299.4889 -50.8568 -15.9138 559278.6505 -4.8459 -4.9184 PRESSURE: 4246400 -17.3159 79.0389 -54.3428 79.0379 -122.729 -6.78755 -54.3427 -6.78786 -125.514 GPRESSURE: 4246400 -30.6234 70.4745 -74.2706 103.632 -57.812 -0.251344 28.4045 -29.2497 -80.3468 PRESSAVG: 4246400 17.6335 12.6933 29.0627 12.6933 56.0432 -35.9896 29.0628 -35.9895 -93.7976 GPRESSAVG: 4246400 18.3805 12.157 28.6331 14.6777 56.1182 -35.1414 29.182 -36.8402 -94.6644 TIMING: 4246400 CPU: 12339.6, 0.00292364/step Wall: 12339.6, 0.00292364/step, 0.612015 hours remaining, 206.257812 MB of memory in use. ENERGY: 4246400 733.7422 2124.5240 1914.7577 124.0936 -205935.5496 17550.5177 0.0000 0.0000 34238.3926 -149249.5217 299.0124 -183487.9143 -149157.4827 299.7581 -88.5195 -56.2607 557599.3725 -6.7070 -6.7219 PRESSURE: 4246600 49.6776 -77.6461 -26.5202 -77.6468 58.1319 66.8316 -26.5212 66.8302 -101.703 GPRESSURE: 4246600 108.46 -41.687 20.166 -35.4918 7.02601 97.3455 -29.2205 44.6656 -18.18 PRESSAVG: 4246600 47.3667 -19.9431 25.2818 -19.9432 24.3312 -20.733 25.2817 -20.7329 -58.6785 GPRESSAVG: 4246600 46.9646 -19.9177 26.2073 -17.7658 23.6096 -20.805 23.2095 -20.2639 -57.7399 TIMING: 4246600 CPU: 12340.2, 0.00290759/step Wall: 12340.2, 0.00290759/step, 0.608494 hours remaining, 206.257812 MB of memory in use. ENERGY: 4246600 723.5860 2109.1026 1944.9820 105.0437 -206186.9996 17688.0749 0.0000 0.0000 34361.5973 -149254.6132 300.0884 -183616.2105 -149158.6393 299.0680 2.0355 32.4352 556746.2676 4.3398 4.2781 PRESSURE: 4246800 64.825 -60.7927 77.867 -60.792 -69.0287 107.763 77.8663 107.763 -159.724 GPRESSURE: 4246800 92.9428 -146.005 147.363 26.8197 -13.3718 97.3428 42.8257 137.837 -139.221 PRESSAVG: 4246800 11.8942 -32.2156 -12.2176 -32.2157 39.3671 -18.8836 -12.2177 -18.8837 -17.721 GPRESSAVG: 4246800 11.9277 -30.4573 -13.8873 -35.5722 40.046 -18.1694 -9.8128 -18.4901 -18.1539 TIMING: 4246800 CPU: 12340.8, 0.00288114/step Wall: 12340.8, 0.00288114/step, 0.602799 hours remaining, 206.257812 MB of memory in use. ENERGY: 4246800 741.2653 2079.6410 1940.1291 113.6825 -205963.8717 17697.7761 0.0000 0.0000 34104.7510 -149286.6266 297.8453 -183391.3776 -149196.8578 299.4461 -54.6426 -19.8834 556761.5651 11.1801 11.2733 PRESSURE: 4247000 -27.6538 74.142 -11.6966 74.1404 275.661 112.905 -11.6969 112.905 35.8902 GPRESSURE: 4247000 -11.3409 36.5448 57.0985 99.5893 370.445 139.547 -126.909 77.3234 28.5443 PRESSAVG: 4247000 -14.386 24.1951 -41.5926 24.1951 34.9906 41.3273 -41.5927 41.3273 14.8507 GPRESSAVG: 4247000 -14.3757 22.2068 -39.914 23.9708 36.025 39.6071 -41.8031 41.6364 14.0829 TIMING: 4247000 CPU: 12341.4, 0.00290034/step Wall: 12341.4, 0.00290034/step, 0.606655 hours remaining, 206.257812 MB of memory in use. ENERGY: 4247000 712.2736 2107.9824 1936.2109 114.8517 -206291.7987 18028.4426 0.0000 0.0000 34037.2174 -149354.8202 297.2555 -183392.0376 -149259.6684 298.4378 94.6326 129.2162 558095.8631 11.8184 11.9107 PRESSURE: 4247200 29.566 -137.973 46.3452 -137.972 -224.913 26.4263 46.3454 26.4278 -268.772 GPRESSURE: 4247200 -2.74622 -159.887 22.778 -57.2297 -131.214 49.3262 57.6054 26.647 -239.571 PRESSAVG: 4247200 28.5237 -54.6712 0.0170871 -54.6713 63.3693 -6.90508 0.0171062 -6.90516 -58.8295 GPRESSAVG: 4247200 27.6518 -55.2628 0.678795 -52.8252 63.1799 -5.67025 -2.69741 -7.83851 -57.6259 TIMING: 4247200 CPU: 12341.9, 0.00287823/step Wall: 12341.9, 0.00287823/step, 0.60187 hours remaining, 206.257812 MB of memory in use. ENERGY: 4247200 730.4047 2069.2163 1918.5225 112.3136 -206131.6638 17719.9489 0.0000 0.0000 34331.8666 -149249.3911 299.8287 -183581.2577 -149151.8734 298.1952 -154.7066 -124.5102 558075.6217 11.0212 11.0686 PRESSURE: 4247400 72.3193 3.55467 -30.3027 3.5552 -350.92 -11.5241 -30.3033 -11.5254 -262.898 GPRESSURE: 4247400 162.096 105.602 82.477 -51.8369 -334.605 26.0252 -102.243 100.79 -290.455 PRESSAVG: 4247400 1.35256 1.49312 2.53487 1.49324 -19.6806 30.6048 2.53484 30.6048 -5.97509 GPRESSAVG: 4247400 2.86607 3.78567 1.47242 0.650259 -21.1848 28.746 4.28504 31.9345 -6.15599 TIMING: 4247400 CPU: 12342.5, 0.00288436/step Wall: 12342.5, 0.00288436/step, 0.602992 hours remaining, 206.257812 MB of memory in use. ENERGY: 4247400 740.2601 2080.0771 1942.4229 113.1369 -206345.2303 17801.8795 0.0000 0.0000 34283.8838 -149383.5700 299.4097 -183667.4538 -149284.2737 299.4707 -180.4995 -154.3212 557996.0024 -8.1010 -8.1582 PRESSURE: 4247600 -272.335 137.696 -19.4045 137.697 90.713 49.1287 -19.4055 49.1284 -116.07 GPRESSURE: 4247600 -239.138 115.903 -70.8648 95.3673 103.461 -53.9753 52.9228 111.055 -69.1884 PRESSAVG: 4247600 -73.3965 -36.6325 37.2563 -36.6325 61.8061 3.23589 37.2563 3.2358 23.6831 GPRESSAVG: 4247600 -73.8465 -37.2562 36.9723 -35.1418 63.1701 5.20194 36.1223 3.6611 22.916 TIMING: 4247600 CPU: 12343.1, 0.0028857/step Wall: 12343.1, 0.0028857/step, 0.603112 hours remaining, 206.257812 MB of memory in use. ENERGY: 4247600 730.6078 2102.5061 1929.1162 113.8808 -206364.2056 17759.1415 0.0000 0.0000 34357.7385 -149371.2147 300.0547 -183728.9532 -149273.4998 299.0751 -99.2308 -68.2885 558424.1373 4.0309 4.0798 PRESSURE: 4247800 54.2216 -305.605 -87.7341 -305.604 15.9103 11.8399 -87.7345 11.8394 -124.956 GPRESSURE: 4247800 38.2234 -279.871 -78.9662 -242.226 54.2115 -32.0836 -163.776 -28.8772 -62.1013 PRESSAVG: 4247800 -15.7381 35.088 7.52198 35.088 51.4066 -23.8852 7.52188 -23.8851 -13.0528 GPRESSAVG: 4247800 -16.3673 34.599 6.37913 34.6054 50.6186 -24.3781 8.12784 -24.6313 -12.0082 TIMING: 4247800 CPU: 12343.7, 0.00290642/step Wall: 12343.7, 0.00290642/step, 0.60728 hours remaining, 206.257812 MB of memory in use. ENERGY: 4247800 729.3802 2077.0590 1949.1311 112.5904 -206085.6840 17813.3575 0.0000 0.0000 34068.9730 -149335.1928 297.5328 -183404.1659 -149234.9277 299.0790 -18.2746 10.1112 557942.3317 7.5386 7.4144 PRESSURE: 4248000 -24.3679 -2.50084 160.645 -2.49991 -64.174 -48.7758 160.644 -48.776 -105.919 GPRESSURE: 4248000 58.7147 -100.142 130.25 44.4388 -89.9323 -84.6681 198.877 -75.3693 -60.6946 PRESSAVG: 4248000 35.2153 22.3132 19.0445 22.3133 -75.3992 51.4292 19.0445 51.4291 71.7005 GPRESSAVG: 4248000 36.1441 22.0438 20.3199 21.4432 -76.0931 49.8149 18.6625 49.993 71.3029 TIMING: 4248000 CPU: 12344.2, 0.0029023/step Wall: 12344.2, 0.0029023/step, 0.606259 hours remaining, 206.257812 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: 4248000 749.7751 2083.1354 1948.3256 112.4546 -206337.9935 17771.2954 0.0000 0.0000 34307.0230 -149365.9844 299.6118 -183673.0074 -149273.8302 298.5042 -64.8202 -30.6374 556162.7214 10.5055 10.4513 PRESSURE: 4248200 -101.524 -107.821 -87.5537 -107.823 147.823 34.3339 -87.5539 34.3334 7.63532 GPRESSURE: 4248200 -85.1394 -28.9958 -108.153 -63.5034 186.001 86.6461 -39.1033 3.2606 49.3113 PRESSAVG: 4248200 30.0742 29.2228 -63.044 29.2227 -12.3555 25.8865 -63.044 25.8866 56.8072 GPRESSAVG: 4248200 28.3516 31.0717 -64.0765 29.7514 -11.3734 26.7596 -60.9128 26.2615 57.0449 TIMING: 4248200 CPU: 12344.8, 0.00288624/step Wall: 12344.8, 0.00288624/step, 0.602742 hours remaining, 206.257812 MB of memory in use. ENERGY: 4248200 711.6685 2072.7027 1960.2515 118.0623 -206258.6639 17831.4991 0.0000 0.0000 34216.1617 -149348.3182 298.8183 -183564.4799 -149255.9936 298.4211 17.9781 50.0576 557052.8731 24.8420 24.6744 LDB: ============= START OF LOAD BALANCING ============== 12348.3 LDB: ============== END OF LOAD BALANCING =============== 12348.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12348.3 LDB: ============= START OF LOAD BALANCING ============== 12348.6 LDB: Largest compute 4849 load 0.027499 is 23.4% of average load 0.117746 LDB: Average compute 0.001750 is 1.5% of average load 0.117746 LDB: TIME 12348.6 LOAD: AVG 0.117746 MAX 0.180301 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.531 MB LDB: TIME 12348.6 LOAD: AVG 0.117746 MAX 0.180301 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.734 MB LDB: TIME 12348.6 LOAD: AVG 0.117746 MAX 0.180301 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.734 MB LDB: ============== END OF LOAD BALANCING =============== 12348.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12348.6 PRESSURE: 4248400 -26.7662 19.0622 196.738 19.0629 95.5597 -53.0163 196.739 -53.0152 -274.957 GPRESSURE: 4248400 13.619 -45.783 176.618 121.221 111.494 -72.0995 222.271 -78.2425 -239.338 PRESSAVG: 4248400 -12.2898 -14.4535 -10.6374 -14.4536 -59.7434 18.9935 -10.6374 18.9936 65.2306 GPRESSAVG: 4248400 -10.8559 -16.0429 -11.0375 -14.1723 -60.3079 18.8705 -11.8215 18.9596 64.0678 TIMING: 4248400 CPU: 12345.4, 0.00297504/step Wall: 12345.4, 0.00297504/step, 0.621123 hours remaining, 207.792969 MB of memory in use. ENERGY: 4248400 713.5277 2141.3185 1995.3668 104.4674 -206519.1681 17987.5503 0.0000 0.0000 34298.7824 -149278.1549 299.5398 -183576.9374 -149188.9064 299.3496 -68.7213 -38.0749 558548.7042 -2.2675 -2.3653 PRESSURE: 4248600 -115.726 0.728307 -111.721 0.727689 -207.474 -48.1893 -111.72 -48.1895 22.1571 GPRESSURE: 4248600 -51.9991 -81.5222 -141.088 -17.9444 -254.954 -120.962 -97.9567 -40.4733 94.4031 PRESSAVG: 4248600 -9.95388 50.0065 -18.8231 50.0064 -34.0314 -0.826093 -18.8232 -0.826086 -13.5568 GPRESSAVG: 4248600 -10.0559 50.8363 -17.8214 48.1335 -34.9199 -0.412463 -19.685 -1.22429 -12.8693 TIMING: 4248600 CPU: 12346, 0.00290206/step Wall: 12346, 0.00290206/step, 0.605725 hours remaining, 207.792969 MB of memory in use. ENERGY: 4248600 798.1852 2042.4172 1939.0541 102.7686 -206302.0523 18012.9157 0.0000 0.0000 34091.2777 -149315.4339 297.7276 -183406.7116 -149217.0908 299.3015 -100.3477 -70.8500 559555.0015 -19.1807 -19.2817 PRESSURE: 4248800 -185.393 4.6104 -154.386 4.61025 27.3156 -67.5653 -154.385 -67.5661 -192.281 GPRESSURE: 4248800 -218.573 86.3127 -92.4456 -9.95279 61.4503 -82.362 -121.534 -38.9849 -105.607 PRESSAVG: 4248800 -7.07357 25.1279 17.7103 25.1278 40.4004 -37.2138 17.7103 -37.2138 -4.88707 GPRESSAVG: 4248800 -8.79726 23.2124 16.0077 28.4168 42.1442 -38.1388 19.2414 -35.5854 -5.45393 TIMING: 4248800 CPU: 12346.6, 0.0029021/step Wall: 12346.6, 0.0029021/step, 0.605571 hours remaining, 207.792969 MB of memory in use. ENERGY: 4248800 739.5036 2032.6429 1967.4177 107.9397 -206180.6173 17734.3100 0.0000 0.0000 34279.2288 -149319.5746 299.3690 -183598.8034 -149221.8503 299.5144 -116.7864 -87.5767 559341.7142 9.4799 9.2977 PRESSURE: 4249000 -145.556 -8.49759 -53.2235 -8.49637 -92.0132 84.0735 -53.2236 84.0746 -115.514 GPRESSURE: 4249000 -136.344 11.9236 -40.2852 50.9885 15.37 114.337 8.19463 -21.4292 -133.768 PRESSAVG: 4249000 -40.1192 59.3436 -41.8864 59.3436 3.23451 -15.4829 -41.8865 -15.483 -13.3493 GPRESSAVG: 4249000 -39.0636 59.4125 -40.4078 57.6439 2.72865 -16.3323 -42.3439 -17.2046 -14.665 TIMING: 4249000 CPU: 12347.2, 0.00289632/step Wall: 12347.2, 0.00289632/step, 0.604205 hours remaining, 207.882812 MB of memory in use. ENERGY: 4249000 755.2036 2119.1133 1941.8658 111.8117 -206178.5661 17830.1035 0.0000 0.0000 34272.6257 -149147.8425 299.3114 -183420.4682 -149056.3993 299.9855 -117.6942 -84.9140 558947.1008 -16.7447 -17.0000 PRESSURE: 4249200 -103.774 104.02 121.617 104.022 -224.237 31.6189 121.617 31.6199 -80.3328 GPRESSURE: 4249200 -57.272 94.6918 164.037 119.777 -206.572 -20.1398 108.334 62.6921 -57.4033 PRESSAVG: 4249200 58.466 49.7205 -21.8592 49.7205 -36.384 -14.4616 -21.8592 -14.4616 -43.9729 GPRESSAVG: 4249200 58.4164 49.1023 -20.3511 51.7902 -37.0984 -15.0828 -22.9174 -12.4012 -42.9355 TIMING: 4249200 CPU: 12347.7, 0.00291545/step Wall: 12347.7, 0.00291545/step, 0.608034 hours remaining, 207.882812 MB of memory in use. ENERGY: 4249200 735.6483 2077.4825 1973.6085 128.0310 -205951.5290 17673.8163 0.0000 0.0000 34316.8191 -149046.1234 299.6973 -183362.9426 -148952.7765 299.4992 -136.1147 -107.0823 558701.3721 -7.2970 -7.2059 PRESSURE: 4249400 -242.89 96.2177 45.1214 96.2175 -176.983 38.1381 45.1223 38.1379 -57.824 GPRESSURE: 4249400 -208.026 47.8992 -9.59268 45.9445 -122.368 -31.3222 96.3611 162.123 -54.4897 PRESSAVG: 4249400 -20.1858 63.4088 52.0492 63.4089 -32.74 -24.7705 52.0491 -24.7706 -0.528559 GPRESSAVG: 4249400 -20.0652 63.7142 48.596 61.7448 -32.6591 -26.7181 51.8631 -25.1275 -0.0706318 TIMING: 4249400 CPU: 12348.3, 0.00288501/step Wall: 12348.3, 0.00288501/step, 0.601525 hours remaining, 207.882812 MB of memory in use. ENERGY: 4249400 781.8355 2131.2619 1971.6082 112.6180 -206174.3897 17695.1727 0.0000 0.0000 34482.7796 -148999.1138 301.1467 -183481.8933 -148900.5038 300.0176 -159.2322 -128.2947 559729.7290 -17.8181 -17.5983 PRESSURE: 4249600 72.1043 109.038 22.8274 109.039 139.146 192.405 22.8262 192.405 185.556 GPRESSURE: 4249600 85.4906 99.3853 159.112 179.028 167.834 247.213 -44.9377 192.193 239.832 PRESSAVG: 4249600 73.1764 19.2088 -5.585 19.2087 -129.268 71.5009 -5.58509 71.5009 36.0049 GPRESSAVG: 4249600 72.7224 20.8814 -4.43568 16.9347 -128.454 73.8767 -4.19473 69.291 35.5767 TIMING: 4249600 CPU: 12348.9, 0.00288756/step Wall: 12348.9, 0.00288756/step, 0.601896 hours remaining, 207.882812 MB of memory in use. ENERGY: 4249600 764.9959 2066.7396 1966.1276 130.0972 -206330.0738 18058.5822 0.0000 0.0000 34319.2240 -149024.3074 299.7183 -183343.5314 -148924.8637 300.9768 132.2686 164.3852 557307.3865 -6.6957 -6.7184 PRESSURE: 4249800 30.6658 79.2464 -225.807 79.2474 -148.173 -80.8157 -225.807 -80.8157 309.152 GPRESSURE: 4249800 91.3991 130.959 -208.9 115.738 -91.2764 10.8869 -255.351 -92.927 277.58 PRESSAVG: 4249800 -34.5698 6.92478 -36.5889 6.92463 -9.54839 46.7652 -36.589 46.7654 30.7202 GPRESSAVG: 4249800 -34.4186 6.39241 -34.6733 8.35568 -8.68006 47.0545 -37.259 47.9633 29.4573 TIMING: 4249800 CPU: 12349.5, 0.00290367/step Wall: 12349.5, 0.00290367/step, 0.605093 hours remaining, 207.882812 MB of memory in use. ENERGY: 4249800 723.5925 2099.8254 1983.4740 105.4014 -206224.4652 17888.4219 0.0000 0.0000 34384.8564 -149038.8937 300.2915 -183423.7501 -148941.1349 299.8698 63.8815 92.5675 559285.1019 -4.4660 -4.5471 PRESSURE: 4250000 166.825 -46.5781 98.9701 -46.5774 7.27007 33.3688 98.9698 33.3697 -179.771 GPRESSURE: 4250000 158.565 -53.16 72.1674 -117.57 103.1 28.2245 134.686 35.8491 -165.123 PRESSAVG: 4250000 -18.0093 20.2152 30.2915 20.2151 -13.4429 30.0242 30.2916 30.0243 25.7999 GPRESSAVG: 4250000 -18.6448 18.5183 27.1089 20.5347 -14.5884 27.7611 32.0519 33.6698 26.7087 TIMING: 4250000 CPU: 12350.1, 0.00289334/step Wall: 12350.1, 0.00289334/step, 0.60278 hours remaining, 207.882812 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: 4250000 742.6318 2095.6489 1952.2790 113.7406 -206221.2232 17947.6479 0.0000 0.0000 34364.8731 -149004.4019 300.1170 -183369.2751 -148908.3020 299.7577 -1.8919 32.1804 559114.4002 -1.8841 -2.1748 PRESSURE: 4250200 -42.2559 -136.315 28.705 -136.316 140.678 118.335 28.7042 118.335 -93.7197 GPRESSURE: 4250200 -17.2967 -77.3928 75.8561 -151.208 194.612 34.7921 6.62324 178.597 -61.7476 PRESSAVG: 4250200 -16.5916 -37.0273 -30.9384 -37.0274 31.391 37.4449 -30.9384 37.4449 -16.5131 GPRESSAVG: 4250200 -16.301 -36.2693 -30.6492 -36.6959 31.8422 39.6559 -30.5644 34.7656 -17.5215 TIMING: 4250200 CPU: 12350.6, 0.0028774/step Wall: 12350.6, 0.0028774/step, 0.599297 hours remaining, 207.882812 MB of memory in use. ENERGY: 4250200 768.4191 2141.3083 1973.4692 118.4124 -206290.1403 17869.7429 0.0000 0.0000 34478.7330 -148940.0554 301.1114 -183418.7884 -148850.0879 300.6044 1.5674 38.5225 557148.9729 -0.5712 -0.6601 PRESSURE: 4250400 17.8222 -18.9852 -128.321 -18.9839 -159.072 -61.5426 -128.32 -61.5443 90.2908 GPRESSURE: 4250400 14.6284 -64.0259 -146.218 66.2611 -108.712 -38.3243 -28.5871 -72.7374 122.788 PRESSAVG: 4250400 0.961669 -37.1344 0.667792 -37.1343 -1.01438 -18.0246 0.667731 -18.0246 26.9853 GPRESSAVG: 4250400 0.706776 -37.9118 1.78402 -35.8856 -2.06663 -18.2483 0.0349228 -19.5106 28.0245 TIMING: 4250400 CPU: 12351.2, 0.00289261/step Wall: 12351.2, 0.00289261/step, 0.602306 hours remaining, 207.882812 MB of memory in use. ENERGY: 4250400 768.2555 2155.2750 1957.5879 115.5566 -206092.6086 17828.7848 0.0000 0.0000 34169.3792 -149097.7695 298.4097 -183267.1487 -149004.2718 299.8074 -16.9863 9.5681 556814.1719 8.9775 8.8882 PRESSURE: 4250600 -50.2113 -29.7274 164.786 -29.726 46.4736 174.956 164.786 174.955 -283.525 GPRESSURE: 4250600 -12.481 -3.11885 213.501 -67.0532 91.6637 134.306 111.571 96.7335 -266.833 PRESSAVG: 4250600 -94.0274 -42.1991 62.8601 -42.1992 56.6395 35.399 62.8601 35.399 59.8577 GPRESSAVG: 4250600 -92.6976 -42.7431 61.013 -42.8342 56.8777 34.6419 61.4336 37.8803 58.5453 TIMING: 4250600 CPU: 12351.8, 0.00289872/step Wall: 12351.8, 0.00289872/step, 0.603417 hours remaining, 207.882812 MB of memory in use. ENERGY: 4250600 721.5023 2053.2375 1981.0218 117.5981 -205683.0392 17506.0356 0.0000 0.0000 34299.9448 -149003.6991 299.5499 -183303.6439 -148908.4422 299.3893 -95.7541 -62.5501 556426.8300 7.4899 7.5751 PRESSURE: 4250800 -164.512 -139.606 5.81271 -139.606 116.866 -272.693 5.8129 -272.693 61.2107 GPRESSURE: 4250800 -109.607 -177.59 50.6737 -207.096 91.8353 -179.166 -81.2672 -362.596 122.176 PRESSAVG: 4250800 -69.6668 12.7559 46.141 12.7559 67.7968 -27.0939 46.1411 -27.0939 -24.7444 GPRESSAVG: 4250800 -70.8815 13.0212 48.2412 13.0525 67.2992 -25.9555 44.7902 -30.9685 -23.3017 TIMING: 4250800 CPU: 12352.4, 0.00289196/step Wall: 12352.4, 0.00289196/step, 0.601849 hours remaining, 207.882812 MB of memory in use. ENERGY: 4250800 751.9434 2099.6399 1988.3799 109.0523 -206401.8394 17946.6745 0.0000 0.0000 34285.3065 -149220.8429 299.4221 -183506.1494 -149123.9955 299.3049 4.5217 34.8013 557098.7088 -8.8715 -8.9613 PRESSURE: 4251000 -92.8282 17.2977 -18.8546 17.2983 -30.3507 52.0259 -18.8545 52.0247 24.6716 GPRESSURE: 4251000 -51.5216 -8.61049 8.94606 -86.1628 -12.8105 132.849 -4.74203 120.686 71.4462 PRESSAVG: 4251000 -42.4851 6.58252 -12.8658 6.58261 -6.86948 37.9391 -12.8657 37.9392 36.2929 GPRESSAVG: 4251000 -41.8205 8.87389 -13.7722 4.56687 -7.00967 39.0017 -11.8634 38.7077 36.3988 TIMING: 4251000 CPU: 12353, 0.00289764/step Wall: 12353, 0.00289764/step, 0.602869 hours remaining, 207.882812 MB of memory in use. ENERGY: 4251000 707.6366 2115.4127 1953.5604 104.1388 -206313.5123 17764.8530 0.0000 0.0000 34227.3272 -149440.5837 298.9158 -183667.9109 -149349.1508 298.8182 -32.8358 2.3713 557349.7848 -4.3539 -4.1438 PRESSURE: 4251200 141.581 107.603 -52.0101 107.602 202.536 118.673 -52.0093 118.672 34.774 GPRESSURE: 4251200 180.255 145.781 8.95134 84.3661 250.816 139.339 -33.9098 87.5929 48.2641 PRESSAVG: 4251200 -34.8819 -16.4359 33.2163 -16.4359 -19.0652 24.7914 33.2163 24.7913 77.2084 GPRESSAVG: 4251200 -36.7123 -17.464 35.2109 -15.1128 -16.9919 25.0587 33.7417 25.244 77.3156 TIMING: 4251200 CPU: 12353.5, 0.0029163/step Wall: 12353.5, 0.0029163/step, 0.60659 hours remaining, 207.882812 MB of memory in use. ENERGY: 4251200 758.4355 2103.4909 1957.1478 103.6327 -206882.4357 18059.8034 0.0000 0.0000 34286.7701 -149613.1553 299.4349 -183899.9254 -149522.5254 297.9957 126.2971 159.7783 555854.8312 7.7538 7.8705 PRESSURE: 4251400 -230.773 114.409 27.4247 114.409 -341.881 143.691 27.425 143.69 163.88 GPRESSURE: 4251400 -200.255 87.387 -21.6884 53.5882 -248.799 74.9058 55.4969 173.231 141.439 PRESSAVG: 4251400 -34.6533 -40.6146 54.7655 -40.6147 -15.1056 21.6432 54.7654 21.6431 57.6618 GPRESSAVG: 4251400 -33.8117 -41.4003 51.7763 -41.8977 -16.1673 19.4763 56.7999 23.3977 57.6277 TIMING: 4251400 CPU: 12354.1, 0.00289506/step Wall: 12354.1, 0.00289506/step, 0.602011 hours remaining, 207.882812 MB of memory in use. ENERGY: 4251400 737.9972 2119.3036 1944.1312 113.1646 -206278.2763 17727.1742 0.0000 0.0000 34052.7379 -149583.7675 297.3910 -183636.5054 -149494.6753 297.9551 -136.2580 -102.5385 558223.6467 2.6343 2.5496 PRESSURE: 4251600 -188.74 -163.69 -129.723 -163.691 -360.933 58.4534 -129.723 58.4534 -139.596 GPRESSURE: 4251600 -180.941 -282.463 -288.132 -76.0158 -379.482 40.0145 1.7596 93.9893 -9.93002 PRESSAVG: 4251600 -17.9525 -7.0921 -15.7295 -7.09209 13.3705 29.3894 -15.7295 29.3894 -1.04152 GPRESSAVG: 4251600 -18.2118 -6.86232 -12.4913 -5.47525 13.5384 29.6188 -16.6618 28.9105 -1.1699 TIMING: 4251600 CPU: 12354.7, 0.00290637/step Wall: 12354.7, 0.00290637/step, 0.604201 hours remaining, 207.882812 MB of memory in use. ENERGY: 4251600 773.3802 2054.0148 2001.4888 111.2736 -206370.1866 17541.4170 0.0000 0.0000 34280.5296 -149608.0826 299.3804 -183888.6122 -149505.3581 298.8846 -229.7565 -190.1176 556967.0820 -1.8745 -1.9478 PRESSURE: 4251800 -261.495 -132.245 -290.986 -132.246 67.1482 -120.444 -290.986 -120.445 -195.162 GPRESSURE: 4251800 -248.789 -146.376 -257.067 -117.042 66.7748 -142.088 -219.497 -108.96 -107.881 PRESSAVG: 4251800 0.831313 -65.6948 3.44802 -65.6947 -1.67471 30.1334 3.44785 30.1335 7.82338 GPRESSAVG: 4251800 1.61177 -64.0902 0.264718 -68.0302 -2.69324 31.8651 3.44886 32.0763 7.80902 TIMING: 4251800 CPU: 12355.3, 0.00287712/step Wall: 12355.3, 0.00287712/step, 0.597961 hours remaining, 207.882812 MB of memory in use. ENERGY: 4251800 778.5657 2100.7589 1949.3364 113.6940 -206308.4640 17722.5235 0.0000 0.0000 33915.5050 -149728.0805 296.1925 -183643.5855 -149630.6535 298.3464 -129.8363 -96.6316 556515.3834 2.3267 2.2425 PRESSURE: 4252000 -285.92 144.58 97.1269 144.581 -201.209 -38.4145 97.1256 -38.4145 -100.446 GPRESSURE: 4252000 -250.959 119.399 86.9154 176.405 -162.89 -62.2871 81.3637 -23.6133 -76.6483 PRESSAVG: 4252000 10.5183 -24.8444 27.8152 -24.8444 16.8366 -10.1632 27.8152 -10.1631 -7.86873 GPRESSAVG: 4252000 9.48347 -23.8591 29.3945 -24.0118 17.5088 -12.1533 26.8241 -10.8705 -7.39276 TIMING: 4252000 CPU: 12355.8, 0.00287994/step Wall: 12355.8, 0.00287994/step, 0.598387 hours remaining, 207.882812 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: 4252000 742.5465 2112.0282 1949.8562 126.9666 -206346.3267 17510.9280 0.0000 0.0000 34160.8311 -149743.1700 298.3350 -183904.0012 -149644.7873 298.2053 -195.8581 -163.4992 557161.6209 6.4954 6.5332 PRESSURE: 4252200 197.408 89.9469 -77.4681 89.9461 45.6318 24.3393 -77.4683 24.3388 274.908 GPRESSURE: 4252200 223.837 122.242 -57.177 28.7749 102.862 -2.72774 -58.5792 12.545 290.159 PRESSAVG: 4252200 67.7896 -0.514923 27.384 -0.515027 -23.4377 45.3316 27.384 45.3316 -28.7851 GPRESSAVG: 4252200 67.6038 -1.95364 28.9763 0.154 -23.8389 44.1352 27.5189 43.9668 -28.427 TIMING: 4252200 CPU: 12356.4, 0.00290002/step Wall: 12356.4, 0.00290002/step, 0.602398 hours remaining, 207.882812 MB of memory in use. ENERGY: 4252200 718.1452 2081.7617 1969.2329 109.3187 -206811.9772 18149.9182 0.0000 0.0000 34129.9261 -149653.6744 298.0651 -183783.6004 -149554.0483 297.7939 172.6490 205.6192 556914.8194 5.1889 5.1126 LDB: ============= START OF LOAD BALANCING ============== 12359.9 LDB: ============== END OF LOAD BALANCING =============== 12359.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12359.9 LDB: ============= START OF LOAD BALANCING ============== 12360.2 LDB: Largest compute 4849 load 0.027858 is 23.7% of average load 0.117775 LDB: Average compute 0.001744 is 1.5% of average load 0.117775 LDB: TIME 12360.2 LOAD: AVG 0.117775 MAX 0.179434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.152 MB LDB: TIME 12360.2 LOAD: AVG 0.117775 MAX 0.179434 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: TIME 12360.2 LOAD: AVG 0.117775 MAX 0.179434 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: ============== END OF LOAD BALANCING =============== 12360.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12360.2 PRESSURE: 4252400 361.003 250.65 -40.2062 250.649 224.838 -37.4009 -40.2071 -37.4003 51.1495 GPRESSURE: 4252400 384.675 229.847 -24.0934 265.144 270.669 -81.9125 24.9122 52.7683 67.6002 PRESSAVG: 4252400 -15.6747 50.167 -70.1386 50.167 -27.5351 18.2371 -70.1387 18.2371 32.4689 GPRESSAVG: 4252400 -15.2418 50.4662 -69.212 49 -26.9435 19.7173 -71.7999 19.1703 30.8435 TIMING: 4252400 CPU: 12357, 0.00295205/step Wall: 12357, 0.00295205/step, 0.613043 hours remaining, 206.972656 MB of memory in use. ENERGY: 4252400 724.2669 2040.0240 1974.9754 113.8079 -206731.9039 18059.5257 0.0000 0.0000 34278.0442 -149541.2598 299.3587 -183819.3040 -149450.9797 299.3241 212.3302 240.9814 555624.5280 -3.5803 -3.7806 PRESSURE: 4252600 154.335 -76.899 -12.126 -76.9008 161.127 9.76324 -12.1272 9.76569 102.189 GPRESSURE: 4252600 142.484 -55.8969 -47.5678 -81.326 238.21 81.9478 -44.8631 -46.4633 131.158 PRESSAVG: 4252600 31.0352 -4.64516 36.1419 -4.64508 21.1138 -1.35096 36.1419 -1.35092 -57.5134 GPRESSAVG: 4252600 30.2837 -5.23816 34.1222 -2.88951 20.8087 -0.189538 37.3506 -2.18504 -56.8156 TIMING: 4252600 CPU: 12357.6, 0.00287864/step Wall: 12357.6, 0.00287864/step, 0.597638 hours remaining, 206.972656 MB of memory in use. ENERGY: 4252600 750.8853 2128.1973 1945.4002 108.3736 -206804.7512 18046.5060 0.0000 0.0000 34332.9913 -149492.3975 299.8386 -183825.3888 -149395.2774 298.7037 139.2168 170.6174 555217.9705 -1.7881 -1.9077 PRESSURE: 4252800 -148.153 84.4391 -233.085 84.4394 106.312 -7.2929 -233.085 -7.29473 46.1012 GPRESSURE: 4252800 -107.701 -32.3438 -179.035 158.976 120.204 11.1527 -235.841 -56.7856 92.6777 PRESSAVG: 4252800 83.4582 -80.2389 24.8956 -80.239 62.0897 16.0405 24.8955 16.0403 -101.987 GPRESSAVG: 4252800 85.0773 -82.0069 26.3736 -79.1994 61.6136 13.5177 24.4642 17.6037 -102.359 TIMING: 4252800 CPU: 12358.2, 0.00288376/step Wall: 12358.2, 0.00288376/step, 0.598541 hours remaining, 206.972656 MB of memory in use. ENERGY: 4252800 771.1743 2061.3851 1974.5765 115.8717 -206671.0571 18046.5392 0.0000 0.0000 34078.8710 -149622.6393 297.6193 -183701.5103 -149528.0894 298.5755 1.4200 35.0602 557208.8356 14.5204 14.7774 PRESSURE: 4253000 136.921 23.5865 -25.481 23.5852 12.5817 -80.7205 -25.4822 -80.7189 117.924 GPRESSURE: 4253000 173.905 -44.365 -39.7333 -18.2269 39.2904 -90.6196 -64.1449 -103.779 142.33 PRESSAVG: 4253000 19.3603 53.2381 -43.7055 53.2381 25.0774 0.559763 -43.7055 0.559664 -92.4654 GPRESSAVG: 4253000 17.3851 54.7848 -45.1492 50.2394 25.8424 0.876174 -42.038 0.566285 -91.5415 TIMING: 4253000 CPU: 12358.7, 0.00287592/step Wall: 12358.7, 0.00287592/step, 0.596754 hours remaining, 206.972656 MB of memory in use. ENERGY: 4253000 712.1028 2101.6043 1969.3659 114.4051 -206680.7811 17973.7748 0.0000 0.0000 34059.3338 -149750.1942 297.4486 -183809.5280 -149650.8007 297.7702 89.1422 118.5083 557504.4737 -16.0092 -16.1047 PRESSURE: 4253200 70.7817 -32.4465 -52.081 -32.4453 49.9615 125.234 -52.0807 125.233 120.77 GPRESSURE: 4253200 126.226 -14.3165 -140.109 -7.09797 47.1937 121.062 -3.22671 142.297 155.935 PRESSAVG: 4253200 66.3982 15.2068 38.9258 15.2067 -49.3463 -62.5886 38.9258 -62.5887 -26.9117 GPRESSAVG: 4253200 68.3135 15.9947 40.673 15.3359 -50.656 -62.6275 36.6511 -64.0696 -27.1787 TIMING: 4253200 CPU: 12359.3, 0.00290268/step Wall: 12359.3, 0.00290268/step, 0.602146 hours remaining, 206.972656 MB of memory in use. ENERGY: 4253200 728.1025 2101.7624 1959.0443 126.7901 -206808.7997 18053.6589 0.0000 0.0000 34029.8398 -149809.6017 297.1911 -183839.4416 -149714.9203 297.0864 80.5044 109.7849 557162.3445 -3.2866 -3.1737 PRESSURE: 4253400 94.6362 -288.825 -130.992 -288.825 -170.928 -191.057 -130.992 -191.056 -227.452 GPRESSURE: 4253400 53.0982 -235.581 -115.492 -208.385 -103.735 -197.868 -140.661 -167.333 -163.427 PRESSAVG: 4253400 32.975 -35.4502 -21.4888 -35.4502 -41.8694 1.98593 -21.4888 1.98595 1.95495 GPRESSAVG: 4253400 32.0761 -34.5121 -22.3469 -35.5331 -41.5247 1.89614 -19.4511 1.93978 2.52167 TIMING: 4253400 CPU: 12359.9, 0.00288304/step Wall: 12359.9, 0.00288304/step, 0.597911 hours remaining, 206.972656 MB of memory in use. ENERGY: 4253400 716.9576 2055.5493 1981.5086 112.3411 -206685.3938 17779.2985 0.0000 0.0000 34230.2165 -149809.5223 298.9410 -184039.7388 -149703.3821 297.3950 -101.2482 -71.3545 556809.6170 -2.3132 -2.3090 PRESSURE: 4253600 -116.043 9.25098 -63.717 9.2502 -136.989 -183.27 -63.7169 -183.27 -144.5 GPRESSURE: 4253600 -30.7004 -2.20468 -111.568 -49.6497 -117.615 -100.031 -51.3431 -173.696 -160.79 PRESSAVG: 4253600 66.0125 -9.50244 28.057 -9.50246 18.9197 -34.8013 28.057 -34.8012 -68.7129 GPRESSAVG: 4253600 66.2187 -10.5309 26.7288 -9.76613 19.344 -33.458 28.2799 -33.1118 -69.1266 TIMING: 4253600 CPU: 12360.5, 0.00287733/step Wall: 12360.5, 0.00287733/step, 0.596567 hours remaining, 206.972656 MB of memory in use. ENERGY: 4253600 752.4708 2044.9295 1975.6526 117.4426 -206654.8929 17888.6939 0.0000 0.0000 34112.6785 -149763.0251 297.9145 -183875.7036 -149666.0703 297.3957 -132.5107 -103.0351 558192.9033 5.4064 5.4787 PRESSURE: 4253800 8.92051 55.82 227.317 55.8215 370.962 48.7205 227.319 48.7209 26.7645 GPRESSURE: 4253800 18.3833 33.2703 302.065 46.9329 473.984 101.071 223.598 16.9514 7.24112 PRESSAVG: 4253800 -20.9204 3.48179 21.3891 3.48188 10.295 14.0292 21.3891 14.0293 -34.197 GPRESSAVG: 4253800 -21.4926 4.85579 21.9138 1.26397 9.95512 12.1562 22.8663 15.9328 -33.7545 TIMING: 4253800 CPU: 12361.1, 0.00290544/step Wall: 12361.1, 0.00290544/step, 0.602232 hours remaining, 206.972656 MB of memory in use. ENERGY: 4253800 722.0050 2071.7768 1938.9450 119.5954 -206850.4294 18046.5840 0.0000 0.0000 34121.7606 -149829.7625 297.9938 -183951.5232 -149720.5726 297.3614 135.5491 166.5362 556536.1180 -14.9408 -15.0973 PRESSURE: 4254000 -60.8038 22.5137 54.6558 22.5121 -110.351 267.651 54.6555 267.65 -21.5465 GPRESSURE: 4254000 -19.8212 -2.1383 -23.293 51.2859 -44.4933 211.125 104.268 274.793 -12.6099 PRESSAVG: 4254000 21.6923 55.2235 -9.29894 55.2235 30.9465 -7.49448 -9.29895 -7.49453 -8.99022 GPRESSAVG: 4254000 22.0351 54.8032 -8.66853 56.9777 31.0817 -5.73723 -11.5224 -10.9555 -8.74958 TIMING: 4254000 CPU: 12361.6, 0.00289511/step Wall: 12361.6, 0.00289511/step, 0.59993 hours remaining, 206.972656 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 737.9127 2060.5896 1962.2032 122.8077 -206526.1746 17912.7024 0.0000 0.0000 33872.2124 -149857.7466 295.8145 -183729.9589 -149757.8294 297.6242 -64.2338 -25.6415 557524.4589 14.5495 14.7891 PRESSURE: 4254200 168.643 -93.1525 171.455 -93.1518 54.7746 -36.5658 171.454 -36.5643 -261.678 GPRESSURE: 4254200 258.944 -110.397 122.509 -84.7878 60.2384 -66.6053 216.496 8.24275 -267.251 PRESSAVG: 4254200 44.2405 15.4841 -6.81576 15.484 -21.6293 24.6199 -6.81578 24.6198 -64.1028 GPRESSAVG: 4254200 43.3424 15.2726 -7.71577 16.4376 -21.0096 22.8278 -7.01436 26.8509 -64.447 TIMING: 4254200 CPU: 12362.2, 0.0029057/step Wall: 12362.2, 0.0029057/step, 0.601964 hours remaining, 206.972656 MB of memory in use. ENERGY: 4254200 724.0758 2056.4277 1930.1204 116.5226 -206536.3126 17949.5235 0.0000 0.0000 33870.6848 -149888.9578 295.8011 -183759.6426 -149790.8123 297.3203 -12.7534 17.3104 558431.1546 -13.8306 -14.0380 PRESSURE: 4254400 162.6 -64.4079 102.14 -64.4076 -172.282 -38.4708 102.14 -38.4719 257.352 GPRESSURE: 4254400 210.749 -29.4267 30.1185 -128.894 -144.319 35.9282 90.2817 -61.9667 278.852 PRESSAVG: 4254400 93.4025 -17.4227 -19.5174 -17.4226 -30.8608 36.8507 -19.5174 36.8507 -46.549 GPRESSAVG: 4254400 94.4448 -16.9637 -20.1229 -19.6761 -32.7029 38.0891 -18.9891 36.7177 -45.8013 TIMING: 4254400 CPU: 12362.8, 0.00287288/step Wall: 12362.8, 0.00287288/step, 0.595005 hours remaining, 206.972656 MB of memory in use. ENERGY: 4254400 750.7675 2052.5028 1975.5255 115.7524 -207097.8675 18089.3770 0.0000 0.0000 34268.7973 -149845.1450 299.2779 -184113.9423 -149748.2726 297.2414 82.5568 115.0943 556936.8495 5.3309 5.3135 PRESSURE: 4254600 -160.84 110.852 -29.4575 110.852 58.7808 -125.034 -29.459 -125.032 158.733 GPRESSURE: 4254600 -47.2244 86.3476 52.2859 59.8578 15.1559 -156.984 -93.0154 -66.6277 194.826 PRESSAVG: 4254600 2.97445 -35.2493 -26.5558 -35.2493 -1.09512 43.758 -26.556 43.758 11.8332 GPRESSAVG: 4254600 2.65004 -36.6912 -24.9929 -33.9293 0.239104 45.5906 -27.2092 42.5217 11.1259 TIMING: 4254600 CPU: 12363.4, 0.00288403/step Wall: 12363.4, 0.00288403/step, 0.597154 hours remaining, 207.042969 MB of memory in use. ENERGY: 4254600 743.6688 2077.2562 1951.0557 108.8936 -206162.6711 17633.1764 0.0000 0.0000 34007.9092 -149640.7111 296.9995 -183648.6204 -149542.5466 297.3636 18.8913 54.2526 556640.4660 4.5708 4.6717 PRESSURE: 4254800 396.431 118.134 109.599 118.134 128.065 23.4653 109.601 23.4661 101.264 GPRESSURE: 4254800 347.233 136.37 -25.2031 51.4013 213.641 20.9834 81.6368 113.029 149.958 PRESSAVG: 4254800 5.39541 0.98411 -17.9835 0.98402 30.5317 -12.0463 -17.9835 -12.0463 6.35436 GPRESSAVG: 4254800 5.14109 2.97564 -17.6719 0.698917 30.4565 -11.8029 -19.2827 -12.9947 6.98497 TIMING: 4254800 CPU: 12363.9, 0.00289702/step Wall: 12363.9, 0.00289702/step, 0.599683 hours remaining, 207.042969 MB of memory in use. ENERGY: 4254800 724.8053 2088.0716 1926.8308 109.8088 -207002.4549 18307.7136 0.0000 0.0000 34076.9958 -149768.2289 297.6029 -183845.2247 -149670.5959 297.7340 208.5865 236.9439 556990.2458 14.0938 14.1942 PRESSURE: 4255000 -32.4864 103.818 -53.0334 103.819 70.5974 -8.52533 -53.0343 -8.52689 -96.3291 GPRESSURE: 4255000 6.70736 87.5863 -3.29329 132.506 75.7835 4.22475 -182.567 -26.2257 -33.4742 PRESSAVG: 4255000 -24.9126 -9.8735 66.4873 -9.87352 49.4496 -11.5577 66.4872 -11.5576 -66.401 GPRESSAVG: 4255000 -24.8973 -12.5744 64.6374 -8.86325 50.0819 -11.8117 67.9499 -9.25821 -66.7971 TIMING: 4255000 CPU: 12364.5, 0.00287449/step Wall: 12364.5, 0.00287449/step, 0.59486 hours remaining, 207.042969 MB of memory in use. ENERGY: 4255000 773.5971 2025.9008 1947.4016 114.8393 -206588.8386 17870.6368 0.0000 0.0000 34020.5365 -149835.9266 297.1098 -183856.4631 -149736.8874 297.4446 -19.4060 16.3389 556013.3583 -13.9547 -13.8708 PRESSURE: 4255200 -55.1824 -34.8926 13.6191 -34.8925 0.784877 6.83275 13.6194 6.83371 75.1809 GPRESSURE: 4255200 -30.8965 -25.1597 2.717 -32.056 61.1754 20.5628 -0.707532 17.6691 76.0948 PRESSAVG: 4255200 -1.80273 15.3784 6.7396 15.3783 27.3366 42.157 6.73964 42.1571 3.56552 GPRESSAVG: 4255200 -1.46453 17.1229 8.92483 16.3872 27.9446 40.4545 5.73687 42.8237 3.11076 TIMING: 4255200 CPU: 12365.1, 0.00287551/step Wall: 12365.1, 0.00287551/step, 0.594911 hours remaining, 207.042969 MB of memory in use. ENERGY: 4255200 736.0739 2043.3655 1928.3376 127.4466 -206708.9550 17884.7601 0.0000 0.0000 34201.1346 -149787.8368 298.6870 -183988.9714 -149690.1460 297.8360 6.9278 35.4579 555994.0677 9.6998 9.8636 PRESSURE: 4255400 189.16 -43.0264 -107.347 -43.0282 149.514 -1.90493 -107.347 -1.90273 144.501 GPRESSURE: 4255400 251.872 -62.2622 -186.68 10.3098 156.345 -31.7016 -34.3535 -77.0559 167.495 PRESSAVG: 4255400 -50.7746 -48.1865 7.80293 -48.1865 24.3806 12.6745 7.80293 12.6745 52.3725 GPRESSAVG: 4255400 -50.1346 -49.6776 7.33617 -47.4007 22.2286 14.6076 8.78908 11.0533 54.2605 TIMING: 4255400 CPU: 12365.7, 0.00288439/step Wall: 12365.7, 0.00288438/step, 0.596587 hours remaining, 207.042969 MB of memory in use. ENERGY: 4255400 717.3128 2114.7523 1935.0204 113.1566 -207005.3675 18083.6765 0.0000 0.0000 34239.9999 -149801.4490 299.0264 -184041.4489 -149710.8705 297.3544 161.0583 191.9042 557522.4219 8.6595 8.7848 PRESSURE: 4255600 121.814 64.0787 -153.096 64.0781 -3.90327 -58.6095 -153.097 -58.6099 101.647 GPRESSURE: 4255600 125.954 42.4316 -75.6402 50.6316 58.5489 -121.758 -169.989 -19.0331 135.59 PRESSAVG: 4255600 21.9576 -47.6955 -21.8295 -47.6955 -2.98351 1.8397 -21.8295 1.83972 2.94464 GPRESSAVG: 4255600 20.5787 -45.5764 -21.6614 -51.4416 -1.94991 0.0837438 -21.6467 1.37957 3.07793 TIMING: 4255600 CPU: 12366.2, 0.00286744/step Wall: 12366.2, 0.00286744/step, 0.592923 hours remaining, 207.285156 MB of memory in use. ENERGY: 4255600 713.2368 2105.8486 1944.0226 121.1131 -206858.2957 18098.7515 0.0000 0.0000 34183.9359 -149691.3872 298.5368 -183875.3231 -149589.1098 297.2655 73.1857 106.6975 558336.3564 7.3062 7.2356 PRESSURE: 4255800 -188.962 -36.977 -114.518 -36.9778 -18.8843 104.026 -114.517 104.026 -42.9559 GPRESSURE: 4255800 -173.607 14.2633 -170.12 -75.9499 -12.7973 81.0665 -121.311 96.9715 27.2523 PRESSAVG: 4255800 19.2919 28.6407 -79.1117 28.6407 -33.9025 19.6964 -79.1116 19.6964 30.5988 GPRESSAVG: 4255800 20.1257 26.8736 -80.8728 30.6528 -33.1137 19.7039 -79.7285 20.0687 29.0202 TIMING: 4255800 CPU: 12366.8, 0.00289622/step Wall: 12366.8, 0.00289622/step, 0.598713 hours remaining, 207.285156 MB of memory in use. ENERGY: 4255800 742.8480 2077.9744 1946.3821 113.1137 -206091.0323 17699.7502 0.0000 0.0000 34109.4017 -149401.5622 297.8859 -183510.9640 -149306.1090 298.0340 -83.6007 -53.0505 558896.6750 5.3294 5.3441 PRESSURE: 4256000 -132.54 329.808 71.3109 329.808 -410.175 41.1608 71.3107 41.1612 2.21762 GPRESSURE: 4256000 -141.728 423.118 75.7813 259.622 -410.172 -28.3798 28.2177 101.386 104.233 PRESSAVG: 4256000 9.94642 4.15369 37.3292 4.15374 -58.9887 20.6875 37.3292 20.6873 33.431 GPRESSAVG: 4256000 9.10866 6.12644 38.2619 3.43595 -59.4821 21.8585 36.6566 20.1867 35.0751 TIMING: 4256000 CPU: 12367.4, 0.00288177/step Wall: 12367.4, 0.00288177/step, 0.595566 hours remaining, 207.285156 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: 4256000 775.4902 2122.4129 1969.2783 108.6917 -206170.2194 17645.3731 0.0000 0.0000 34087.7890 -149461.1843 297.6971 -183548.9733 -149364.3987 298.2844 -180.1659 -149.2222 557621.4038 -5.2038 -5.0995 PRESSURE: 4256200 -322.562 61.0535 115.37 61.0544 16.374 63.455 115.371 63.4545 107.817 GPRESSURE: 4256200 -281.948 94.4511 148.458 41.0282 42.3539 93.8564 119.29 -35.4155 131.506 PRESSAVG: 4256200 -23.4264 2.10484 26.3872 2.10493 -20.6362 -14.0645 26.3873 -14.0645 40.204 GPRESSAVG: 4256200 -22.7376 0.56315 27.8493 3.16935 -20.3899 -15.5123 25.5751 -13.6855 38.7865 TIMING: 4256200 CPU: 12368, 0.00289376/step Wall: 12368, 0.00289376/step, 0.597882 hours remaining, 207.285156 MB of memory in use. ENERGY: 4256200 728.2491 2069.1020 1949.5037 124.2135 -206493.5907 17771.8636 0.0000 0.0000 34338.0906 -149512.5682 299.8831 -183850.6587 -149422.3964 298.7704 -66.1238 -36.0294 556023.1529 -1.2862 -1.4470 LDB: ============= START OF LOAD BALANCING ============== 12371.4 LDB: ============== END OF LOAD BALANCING =============== 12371.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12371.4 LDB: ============= START OF LOAD BALANCING ============== 12371.7 LDB: Largest compute 4848 load 0.027197 is 23.1% of average load 0.117774 LDB: Average compute 0.001740 is 1.5% of average load 0.117774 LDB: TIME 12371.7 LOAD: AVG 0.117774 MAX 0.17879 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 12371.7 LOAD: AVG 0.117774 MAX 0.17879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 12371.7 LOAD: AVG 0.117774 MAX 0.17879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: ============== END OF LOAD BALANCING =============== 12371.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12371.7 PRESSURE: 4256400 -6.87434 1.56361 125.981 1.56309 164.011 29.5572 125.981 29.5571 30.5584 GPRESSURE: 4256400 115.867 0.51241 57.4313 -56.2418 123.142 85.6289 13.8037 -7.54474 46.7469 PRESSAVG: 4256400 2.01346 26.1153 4.53367 26.1153 58.7559 24.7456 4.53359 24.7457 -49.2165 GPRESSAVG: 4256400 1.78255 26.5552 4.31359 26.94 58.9089 25.273 4.75436 23.6527 -48.3565 TIMING: 4256400 CPU: 12368.6, 0.00295575/step Wall: 12368.6, 0.00295575/step, 0.610527 hours remaining, 206.585938 MB of memory in use. ENERGY: 4256400 721.7881 2044.8694 1960.8188 115.3525 -206438.0783 17953.8390 0.0000 0.0000 33931.8259 -149709.5847 296.3351 -183641.4105 -149608.4069 298.7580 62.5649 95.2518 556454.8752 3.8509 4.1117 PRESSURE: 4256600 -242.412 -19.8013 103.812 -19.8017 -113.083 -206.171 103.812 -206.17 -274.568 GPRESSURE: 4256600 -229.529 29.1287 131.132 -67.0085 -131.5 -139.811 80.1619 -302.522 -170.922 PRESSAVG: 4256600 -65.5173 -12.1809 13.6042 -12.1809 44.9114 -29.4833 13.6042 -29.4834 63.2851 GPRESSAVG: 4256600 -66.8514 -12.0289 12.6681 -13.5756 45.0629 -31.1353 13.6901 -28.648 64.1114 TIMING: 4256600 CPU: 12369.2, 0.00289504/step Wall: 12369.2, 0.00289504/step, 0.597827 hours remaining, 206.789062 MB of memory in use. ENERGY: 4256600 809.2233 2090.2222 1967.7412 114.6919 -205770.2042 17492.3876 0.0000 0.0000 33959.6005 -149336.3376 296.5776 -183295.9381 -149250.5957 297.3946 -210.0211 -177.3170 557167.9843 14.2264 14.1076 PRESSURE: 4256800 -29.1365 -179.897 -52.6348 -179.895 122.455 -107.173 -52.636 -107.175 101.688 GPRESSURE: 4256800 -76.5297 -231.268 -14.1946 -182.856 181.485 -113.133 5.16426 -159.29 197.115 PRESSAVG: 4256800 -60.0897 -11.1846 -5.23987 -11.1845 13.5804 -55.8644 -5.23992 -55.8642 62.8142 GPRESSAVG: 4256800 -59.3927 -13.2958 -4.54019 -9.94538 12.8699 -55.1063 -6.97762 -54.7284 63.1954 TIMING: 4256800 CPU: 12369.7, 0.00290667/step Wall: 12369.7, 0.00290667/step, 0.600067 hours remaining, 206.914062 MB of memory in use. ENERGY: 4256800 738.0896 2059.2628 1951.7418 113.0661 -206432.5130 17954.8270 0.0000 0.0000 34192.1601 -149423.3654 298.6086 -183615.5256 -149334.6754 297.6398 65.0021 100.6901 556906.8116 5.4350 5.5575 PRESSURE: 4257000 -224.824 85.267 -19.2622 85.2668 10.5341 -150.093 -19.2611 -150.095 85.6706 GPRESSURE: 4257000 -169.661 135.575 -33.0108 62.3125 78.7337 -117.45 -9.21204 -182.636 68.3826 PRESSAVG: 4257000 -134.345 -18.2241 53.576 -18.2241 93.064 -12.4477 53.576 -12.4476 52.0577 GPRESSAVG: 4257000 -133.854 -17.1063 53.9896 -17.7292 93.6972 -13.498 54.9999 -13.6156 50.8906 TIMING: 4257000 CPU: 12370.3, 0.00291279/step Wall: 12370.3, 0.00291279/step, 0.601167 hours remaining, 206.914062 MB of memory in use. ENERGY: 4257000 735.8444 2060.0290 1962.7174 116.6527 -206046.9504 17663.1304 0.0000 0.0000 34162.0411 -149346.5355 298.3456 -183508.5766 -149250.8008 298.9042 -42.8731 -7.5148 557542.3687 3.5923 3.5780 PRESSURE: 4257200 28.3152 -91.2874 105.442 -91.2875 -134.235 5.83991 105.442 5.841 -7.98109 GPRESSURE: 4257200 88.9466 -146.873 197.673 29.5594 -104.709 -21.1304 25.5116 72.173 -3.53134 PRESSAVG: 4257200 8.89347 12.3676 5.81769 12.3677 -2.60416 -4.78767 5.81761 -4.7876 4.31388 GPRESSAVG: 4257200 9.68979 10.9834 4.9799 10.7395 -3.90572 -3.00991 7.14999 -4.02209 4.97283 TIMING: 4257200 CPU: 12370.9, 0.00292654/step Wall: 12370.9, 0.00292654/step, 0.603843 hours remaining, 206.914062 MB of memory in use. ENERGY: 4257200 696.5357 1993.9322 1954.2908 117.8285 -206208.7032 17764.3685 0.0000 0.0000 34324.5846 -149357.1628 299.7651 -183681.7474 -149258.0392 299.2661 -37.9671 -6.4314 558254.8829 3.5344 3.5856 PRESSURE: 4257400 -1.72104 200.298 -99.6583 200.297 -7.79497 -38.3412 -99.6582 -38.3406 -150.317 GPRESSURE: 4257400 60.5361 185.242 -171.513 246.708 23.9716 -47.5971 -112.641 7.70906 -156.435 PRESSAVG: 4257400 21.8616 6.8712 -21.5093 6.87133 6.2014 -0.130091 -21.5094 -0.130026 -25.0769 GPRESSAVG: 4257400 21.6704 10.5325 -21.3725 5.95161 7.10005 1.34347 -23.9856 -1.03993 -26.4529 TIMING: 4257400 CPU: 12371.5, 0.00290593/step Wall: 12371.5, 0.00290593/step, 0.599429 hours remaining, 206.914062 MB of memory in use. ENERGY: 4257400 685.5346 2091.8686 1945.7589 122.1387 -206225.1410 17663.5697 0.0000 0.0000 34150.2365 -149566.0341 298.2425 -183716.2706 -149467.6252 298.7248 -53.2778 -23.9758 558012.8396 0.9954 0.7725 PRESSURE: 4257600 -56.7409 -7.01921 -96.5094 -7.01849 -97.1347 89.2189 -96.5083 89.2197 -215.542 GPRESSURE: 4257600 -33.9414 -27.4763 -77.9101 5.53698 -47.7714 110.05 -123.699 -8.94887 -194.9 PRESSAVG: 4257600 3.88269 10.0416 -13.248 10.0416 64.6637 4.86366 -13.248 4.86372 -88.1125 GPRESSAVG: 4257600 4.29909 8.27876 -12.4499 10.5546 64.1066 4.72754 -11.8634 2.40295 -87.4569 TIMING: 4257600 CPU: 12372.1, 0.00290807/step Wall: 12372.1, 0.00290807/step, 0.599709 hours remaining, 206.914062 MB of memory in use. ENERGY: 4257600 741.3945 2067.9798 1977.9034 112.9409 -206617.4211 17865.8295 0.0000 0.0000 34267.7738 -149583.5991 299.2690 -183851.3729 -149485.7470 298.3197 -123.1391 -92.2044 558568.6625 -6.5220 -6.3504 PRESSURE: 4257800 -245.72 8.45387 59.1301 8.45382 -365.48 -22.4709 59.1306 -22.4729 -48.0113 GPRESSURE: 4257800 -216.32 -46.0241 131.899 47.8483 -307.074 34.4033 54.0364 -81.3037 -30.7275 PRESSAVG: 4257800 27.9554 -26.276 -50.4264 -26.2759 -13.5493 45.4853 -50.4265 45.4853 3.78273 GPRESSAVG: 4257800 27.3196 -25.8763 -52.8429 -26.4675 -13.2219 45.806 -49.4521 47.2879 4.54266 TIMING: 4257800 CPU: 12372.6, 0.00291596/step Wall: 12372.6, 0.00291596/step, 0.601174 hours remaining, 206.914062 MB of memory in use. ENERGY: 4257800 770.4249 2055.3519 1962.5959 111.0270 -206255.6262 17655.9605 0.0000 0.0000 34220.3396 -149479.9264 298.8547 -183700.2660 -149382.9858 298.6026 -219.7371 -184.7070 558985.4061 6.0629 6.2134 PRESSURE: 4258000 -61.7173 81.1356 -14.6873 81.136 -218.617 -43.9067 -14.6863 -43.9054 -189.301 GPRESSURE: 4258000 -0.712324 5.20818 -20.911 41.6469 -168.789 -41.9427 0.0147472 -27.0389 -204.693 PRESSAVG: 4258000 70.2136 3.64008 -12.234 3.64013 17.8124 37.1641 -12.234 37.1642 -46.3464 GPRESSAVG: 4258000 70.0696 1.8623 -11.6505 3.42216 18.5803 34.3867 -12.0336 39.9085 -46.2086 TIMING: 4258000 CPU: 12373.2, 0.00291165/step Wall: 12373.2, 0.00291165/step, 0.600123 hours remaining, 206.914062 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: 4258000 725.9240 2114.0451 1976.7075 110.2877 -206156.5043 17821.1724 0.0000 0.0000 33951.6460 -149456.7215 296.5082 -183408.3676 -149367.0925 298.1958 -156.5450 -124.7313 559948.8894 13.8932 14.1471 PRESSURE: 4258200 59.0085 93.0351 6.77487 93.0353 -239.609 8.08419 6.77426 8.08506 -50.5009 GPRESSURE: 4258200 88.1992 144.699 -57.7039 128.381 -133.554 -37.5543 -32.1596 14.9546 -85.3089 PRESSAVG: 4258200 -36.5728 1.47457 -20.8709 1.47459 77.333 -4.03667 -20.871 -4.03679 -40.1844 GPRESSAVG: 4258200 -35.3232 2.4673 -21.8402 3.15143 75.7843 -1.34525 -21.6414 -7.84674 -39.8268 TIMING: 4258200 CPU: 12373.8, 0.0029068/step Wall: 12373.8, 0.0029068/step, 0.598963 hours remaining, 206.914062 MB of memory in use. ENERGY: 4258200 736.6699 2096.4472 1971.5137 112.4888 -206127.2187 17803.0373 0.0000 0.0000 34181.6958 -149225.3661 298.5173 -183407.0618 -149132.7101 298.7376 -77.0337 -43.5546 558127.5312 0.1919 0.2114 PRESSURE: 4258400 -129.816 -32.5695 -81.5527 -32.5686 -277.062 -164.254 -81.5524 -164.255 -66.7171 GPRESSURE: 4258400 -98.2218 -34.2898 -1.03256 -110.043 -226.177 -224.76 -12.1203 -175.395 -45.152 PRESSAVG: 4258400 -7.41294 -20.4998 -37.6972 -20.4999 59.6815 -11.3338 -37.6972 -11.3339 -50.7152 GPRESSAVG: 4258400 -8.65989 -20.847 -37.763 -22.8842 60.9506 -12.9055 -38.4351 -7.3151 -50.5365 TIMING: 4258400 CPU: 12374.4, 0.00290207/step Wall: 12374.4, 0.00290207/step, 0.597826 hours remaining, 206.914062 MB of memory in use. ENERGY: 4258400 747.2349 2071.7706 1981.6678 122.0634 -205867.2413 17647.2330 0.0000 0.0000 34140.7291 -149156.5425 298.1595 -183297.2717 -149066.5353 299.1190 -157.8650 -123.1837 558967.3269 0.5178 0.5847 PRESSURE: 4258600 174.501 -79.5557 -41.8696 -79.5569 117.658 25.0275 -41.8696 25.0279 370.834 GPRESSURE: 4258600 189.631 -80.8999 -15.7289 -68.3358 152.82 30.933 -26.3612 152.35 416.56 PRESSAVG: 4258600 -34.2353 -42.3604 9.06551 -42.3604 22.3648 -3.51506 9.06547 -3.51503 -4.23289 GPRESSAVG: 4258600 -33.9866 -40.7294 9.79984 -42.589 22.164 -2.04284 7.827 -5.14409 -4.23835 TIMING: 4258600 CPU: 12375, 0.00290795/step Wall: 12375, 0.00290795/step, 0.598875 hours remaining, 206.914062 MB of memory in use. ENERGY: 4258600 763.5219 2082.9843 1955.3979 116.1453 -206489.3614 18292.7475 0.0000 0.0000 34134.0217 -149144.5427 298.1009 -183278.5644 -149053.6807 299.1805 220.9977 253.0035 556924.1759 -5.3678 -5.3537 PRESSURE: 4258800 -413.831 -73.8537 38.4873 -73.8524 -42.1649 -9.631 38.4871 -9.6303 -203.908 GPRESSURE: 4258800 -368.122 -96.9859 -38.2606 -93.8238 3.48761 23.7123 122.404 -47.9676 -204.89 PRESSAVG: 4258800 -9.07503 -6.09581 -1.25572 -6.09589 16.8632 36.8935 -1.25575 36.8935 51.153 GPRESSAVG: 4258800 -8.54437 -7.52814 0.041581 -4.31815 16.4533 36.066 -2.01028 36.841 51.3592 TIMING: 4258800 CPU: 12375.6, 0.00290057/step Wall: 12375.6, 0.00290057/step, 0.597195 hours remaining, 206.914062 MB of memory in use. ENERGY: 4258800 752.2520 2083.8945 1965.4858 104.1124 -205839.7103 17536.9837 0.0000 0.0000 34229.5661 -149167.4159 298.9353 -183396.9820 -149071.3513 299.3196 -219.9677 -189.8418 559184.5273 19.6471 19.7560 PRESSURE: 4259000 241.22 -90.0489 -5.14507 -90.05 34.3306 146.637 -5.14516 146.637 -127.067 GPRESSURE: 4259000 248.286 -46.2766 31.4243 -113.86 66.7952 75.0235 -44.1317 153.393 -78.0702 PRESSAVG: 4259000 -6.42372 -42.3388 6.33143 -42.3389 1.07006 7.51293 6.33139 7.51282 -5.63746 GPRESSAVG: 4259000 -7.88731 -41.1822 5.55414 -43.0853 2.2313 4.98429 9.72919 7.99764 -5.53799 TIMING: 4259000 CPU: 12376.1, 0.00290085/step Wall: 12376.1, 0.00290085/step, 0.597091 hours remaining, 206.914062 MB of memory in use. ENERGY: 4259000 767.4573 2091.9825 1949.8346 117.2814 -206601.7105 18085.4788 0.0000 0.0000 34250.7963 -149338.8795 299.1207 -183589.6758 -149247.2715 299.1549 49.4943 79.0038 557649.6794 -3.6637 -3.7313 PRESSURE: 4259200 272.867 214.217 -92.1408 214.218 313.143 69.5209 -92.14 69.5227 76.7398 GPRESSURE: 4259200 358.096 245.481 -134.57 136.701 293.989 83.7368 -55.8388 48.4782 106.892 PRESSAVG: 4259200 24.7995 -4.49115 -108.076 -4.49114 -32.3466 4.32097 -108.076 4.32088 -11.4195 GPRESSAVG: 4259200 24.0924 -3.24279 -107.053 -4.94434 -32.4386 6.66052 -110.813 3.96674 -10.8654 TIMING: 4259200 CPU: 12376.7, 0.00290439/step Wall: 12376.7, 0.00290439/step, 0.59766 hours remaining, 206.914062 MB of memory in use. ENERGY: 4259200 727.3427 2045.5069 1966.6087 107.7054 -206703.4886 18185.9681 0.0000 0.0000 34368.5658 -149301.7909 300.1492 -183670.3568 -149209.5810 299.3992 220.9166 252.9920 557099.7231 -6.3222 -6.4039 PRESSURE: 4259400 116.647 -56.8003 -43.66 -56.7997 58.6842 -43.889 -43.6599 -43.889 -231.19 GPRESSURE: 4259400 198.351 -88.5068 -81.1962 -63.2676 59.1923 -58.1956 -64.2559 -55.8621 -215.684 PRESSAVG: 4259400 2.35835 40.057 -17.4471 40.057 56.527 -20.0967 -17.4471 -20.0967 -65.4869 GPRESSAVG: 4259400 3.18392 37.8316 -19.1379 40.2813 54.3089 -20.8081 -16.0374 -22.9215 -64.0834 TIMING: 4259400 CPU: 12377.3, 0.002907/step Wall: 12377.3, 0.002907/step, 0.598034 hours remaining, 206.914062 MB of memory in use. ENERGY: 4259400 741.6488 2125.6187 1980.7683 111.9152 -206557.4722 17886.8435 0.0000 0.0000 34107.0961 -149603.5817 297.8658 -183710.6778 -149503.2595 298.8798 -18.6195 13.9533 558177.5756 -2.2005 -2.1968 PRESSURE: 4259600 -14.488 -13.9851 -84.2269 -13.9847 -72.2934 -107.221 -84.2275 -107.222 253.235 GPRESSURE: 4259600 2.33619 22.041 -64.283 -21.7118 -19.1196 -126.734 -56.75 -82.4612 275.553 PRESSAVG: 4259600 -15.7149 -49.688 -18.5499 -49.688 36.4575 -14.4407 -18.5498 -14.4407 8.21386 GPRESSAVG: 4259600 -15.2816 -47.2079 -18.3352 -51.3325 37.3289 -13.7576 -19.9079 -12.7059 6.69443 TIMING: 4259600 CPU: 12377.9, 0.00292109/step Wall: 12377.9, 0.00292109/step, 0.60077 hours remaining, 206.914062 MB of memory in use. ENERGY: 4259600 766.4040 2116.7585 1942.4700 113.3481 -206925.7725 18250.5497 0.0000 0.0000 34151.7883 -149584.4539 298.2561 -183736.2422 -149485.6918 297.4663 55.4845 86.2566 558393.2590 9.6522 9.5806 PRESSURE: 4259800 -121.048 -6.46934 164.492 -6.46816 33.0049 -91.8343 164.491 -91.8348 88.3594 GPRESSURE: 4259800 -48.8228 15.1616 135.979 3.21581 1.20004 -133.219 157.11 -33.7052 148.48 PRESSAVG: 4259800 -19.5893 -7.96474 -11.6454 -7.96471 30.5957 -73.6367 -11.6453 -73.6368 -22.764 GPRESSAVG: 4259800 -19.7781 -8.39384 -12.7071 -6.95143 31.1588 -74.5995 -10.898 -73.4752 -22.8205 TIMING: 4259800 CPU: 12378.5, 0.0029349/step Wall: 12378.5, 0.0029349/step, 0.603447 hours remaining, 206.914062 MB of memory in use. ENERGY: 4259800 744.1679 2055.3012 1976.3727 106.3064 -206874.8821 17929.0964 0.0000 0.0000 34471.0474 -149592.5900 301.0442 -184063.6374 -149496.5399 297.8599 0.1055 33.6192 557593.7783 -3.9192 -3.8133 PRESSURE: 4260000 -240.922 -85.9814 30.8947 -85.9803 67.7457 -117.437 30.8953 -117.438 14.9572 GPRESSURE: 4260000 -159.523 13.3653 49.004 -129.716 68.3558 -138.687 26.7165 -109.142 26.4035 PRESSAVG: 4260000 42.1051 -11.6716 -6.83078 -11.6716 -25.584 -33.4268 -6.83078 -33.4268 8.49467 GPRESSAVG: 4260000 42.7847 -11.808 -5.6605 -11.2288 -25.8269 -31.2913 -7.4752 -35.2188 8.28952 TIMING: 4260000 CPU: 12379.1, 0.00294105/step Wall: 12379.1, 0.00294105/step, 0.604549 hours remaining, 206.914062 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: 4260000 735.5753 2123.5517 1956.6962 111.6185 -206462.5721 17834.0399 0.0000 0.0000 34197.0835 -149504.0071 298.6516 -183701.0906 -149410.3223 298.5700 -52.7397 -21.5881 557610.9868 8.3386 8.4158 PRESSURE: 4260200 -253.599 -144.073 8.95684 -144.075 -76.8094 125.319 8.95814 125.32 -38.4975 GPRESSURE: 4260200 -225.742 -148.953 -18.4635 -155.434 -18.8667 127.68 81.589 189.19 -20.6692 PRESSAVG: 4260200 -37.1778 -48.1129 27.7459 -48.1129 34.5219 1.48799 27.7459 1.48794 27.6051 GPRESSAVG: 4260200 -36.5091 -50.1477 27.2779 -45.8739 34.846 -1.31517 28.1553 3.65126 26.8049 TIMING: 4260200 CPU: 12379.6, 0.00293845/step Wall: 12379.6, 0.00293845/step, 0.603852 hours remaining, 206.914062 MB of memory in use. ENERGY: 4260200 698.8535 2110.1368 1932.7101 102.2445 -206345.1090 17791.8710 0.0000 0.0000 34199.1147 -149510.1784 298.6694 -183709.2931 -149411.0972 298.8240 -122.9686 -88.4259 559933.9362 8.3164 8.3806 LDB: ============= START OF LOAD BALANCING ============== 12383.1 LDB: ============== END OF LOAD BALANCING =============== 12383.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12383.1 LDB: ============= START OF LOAD BALANCING ============== 12383.4 LDB: Largest compute 4848 load 0.027705 is 23.5% of average load 0.117727 LDB: Average compute 0.001744 is 1.5% of average load 0.117727 LDB: TIME 12383.4 LOAD: AVG 0.117727 MAX 0.181507 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.562 MB LDB: TIME 12383.4 LOAD: AVG 0.117727 MAX 0.181507 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: TIME 12383.4 LOAD: AVG 0.117727 MAX 0.181507 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12383.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12383.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4260400 198.89 26.02 170.05 26.0195 161.595 -217.851 170.051 -217.85 434.708 GPRESSURE: 4260400 208.341 47.03 193.6 -9.30211 209.84 -261.887 145.245 -167.453 472.22 PRESSAVG: 4260400 -36.2554 -37.3308 88.3685 -37.3308 -39.9148 51.7734 88.3684 51.7733 84.0385 GPRESSAVG: 4260400 -37.2594 -36.812 88.0447 -36.566 -38.7527 52.9847 89.3274 52.7519 84.3318 TIMING: 4260400 CPU: 12380.2, 0.00296075/step Wall: 12380.2, 0.00296075/step, 0.608269 hours remaining, 206.585938 MB of memory in use. ENERGY: 4260400 701.3576 2117.1967 1921.7334 109.4815 -206766.3549 18229.2706 0.0000 0.0000 34333.6549 -149353.6601 299.8443 -183687.3150 -149251.9324 298.2876 265.0643 296.8004 557125.8792 2.6228 2.7732 PRESSURE: 4260600 -446.266 50.5371 -13.9066 50.5364 147.443 59.5598 -13.9056 59.5597 132.754 GPRESSURE: 4260600 -367.632 60.0296 -31.5182 155.286 189.852 147.957 -12.7201 39.0702 90.8773 PRESSAVG: 4260600 -77.2852 3.50906 41.7512 3.50906 3.73001 49.0488 41.7511 49.0488 86.9406 GPRESSAVG: 4260600 -77.4582 5.76621 43.1228 1.94884 3.6013 48.9337 40.7404 47.0226 87.5223 TIMING: 4260600 CPU: 12380.8, 0.00291052/step Wall: 12380.8, 0.00291052/step, 0.597789 hours remaining, 206.789062 MB of memory in use. ENERGY: 4260600 752.9182 2117.3239 1935.4628 118.3857 -206017.4622 17646.5702 0.0000 0.0000 34310.6580 -149136.1433 299.6435 -183446.8013 -149043.4843 299.5973 -55.3565 -28.9675 557584.5753 4.4618 4.5551 PRESSURE: 4260800 19.0737 -41.7039 37.7151 -41.7026 -269.333 94.567 37.7155 94.5682 -87.5938 GPRESSURE: 4260800 29.4301 -108.375 -5.49937 -23.6815 -250.584 35.8798 34.0716 139.229 -33.8947 PRESSAVG: 4260800 16.8436 -55.002 59.7421 -55.002 3.88638 9.92101 59.7421 9.92115 -45.4949 GPRESSAVG: 4260800 17.6172 -55.5411 58.679 -56.0149 2.09303 10.3031 58.72 10.5656 -44.5368 TIMING: 4260800 CPU: 12381.4, 0.00288386/step Wall: 12381.4, 0.00288386/step, 0.592152 hours remaining, 206.789062 MB of memory in use. ENERGY: 4260800 752.4340 2075.4494 1960.6423 114.3849 -205983.5290 17831.9326 0.0000 0.0000 34056.8883 -149191.7975 297.4273 -183248.6858 -149100.6940 299.1253 -112.6175 -85.0163 559310.6430 -8.2550 -8.2755 PRESSURE: 4261000 21.5519 -104.459 -70.3638 -104.459 107.326 70.1746 -70.3649 70.1757 76.6463 GPRESSURE: 4261000 25.6346 -110.842 -50.3125 -101.846 196.049 101.17 -92.6733 107.579 94.8089 PRESSAVG: 4261000 49.8399 3.66 -1.72467 3.65998 -15.4884 26.5217 -1.7247 26.5217 31.7276 GPRESSAVG: 4261000 50.2251 3.2003 -2.01686 3.87218 -14.3066 26.5704 -1.48032 26.221 30.3987 TIMING: 4261000 CPU: 12382, 0.00288226/step Wall: 12382, 0.00288226/step, 0.591664 hours remaining, 206.789062 MB of memory in use. ENERGY: 4261000 747.2753 2102.4451 1984.9459 132.5883 -206429.0698 18028.0610 0.0000 0.0000 34312.6981 -149121.0562 299.6613 -183433.7543 -149025.6608 299.3612 68.5079 105.4974 557188.3148 22.0264 22.1057 PRESSURE: 4261200 236.716 -1.4504 47.3518 -1.4497 -145.067 -120.779 47.35 -120.778 -51.6646 GPRESSURE: 4261200 263.163 92.8085 23.9942 -64.0364 -48.8731 -163.291 48.7219 -78.0775 -72.3277 PRESSAVG: 4261200 31.4424 -13.0006 -50.54 -13.0007 27.3592 25.6895 -50.5399 25.6895 -69.0693 GPRESSAVG: 4261200 30.7313 -12.5865 -50.1734 -14.7698 27.1615 26.4869 -49.6886 24.1281 -68.4349 TIMING: 4261200 CPU: 12382.6, 0.00289366/step Wall: 12382.6, 0.00289366/step, 0.593844 hours remaining, 206.789062 MB of memory in use. ENERGY: 4261200 732.3092 2063.4966 1953.6696 123.3127 -206333.9150 17900.1487 0.0000 0.0000 34439.8366 -149121.1417 300.7717 -183560.9782 -149020.9337 299.1152 13.3280 47.3206 557820.8410 -3.4226 -3.5140 PRESSURE: 4261400 138.468 -61.5507 153.552 -61.5509 159.721 2.00499 153.552 2.00463 257.661 GPRESSURE: 4261400 175.13 -27.6197 267.515 -82.9474 174.265 -6.62651 128.987 44.4497 311.219 PRESSAVG: 4261400 79.8537 61.6879 14.1239 61.6879 -23.8062 -7.22767 14.1238 -7.22775 -29.9915 GPRESSAVG: 4261400 79.7433 61.593 14.0899 63.9679 -23.6415 -8.05333 13.1332 -6.92945 -30.847 TIMING: 4261400 CPU: 12383.1, 0.00289332/step Wall: 12383.1, 0.00289332/step, 0.593613 hours remaining, 206.789062 MB of memory in use. ENERGY: 4261400 735.9658 2094.9045 1964.3945 119.8200 -206023.6214 17882.9253 0.0000 0.0000 34118.2035 -149107.4079 297.9628 -183225.6114 -149014.4321 299.5251 185.2835 220.2044 558094.7844 8.6853 8.4183 PRESSURE: 4261600 296.751 105.532 30.6979 105.532 -255.893 72.6772 30.697 72.6757 -446.553 GPRESSURE: 4261600 342.26 100.313 65.3411 131.178 -267.322 55.6779 -18.1991 85.3992 -385.158 PRESSAVG: 4261600 118.816 24.4422 42.003 24.4422 -14.3037 30.0279 42.003 30.0278 -100.35 GPRESSAVG: 4261600 118.17 24.3416 40.3477 26.4248 -14.7618 27.8911 44.0837 32.5901 -99.563 TIMING: 4261600 CPU: 12383.7, 0.00288123/step Wall: 12383.7, 0.00288123/step, 0.590971 hours remaining, 206.789062 MB of memory in use. ENERGY: 4261600 772.1446 2112.6635 1974.1989 125.3240 -205633.2051 17607.2879 0.0000 0.0000 34157.5296 -148884.0566 298.3062 -183041.5862 -148796.2841 299.2876 -135.2314 -103.4068 558342.7173 1.3876 1.2817 PRESSURE: 4261800 -66.224 164.919 48.1339 164.918 -91.3135 -77.2396 48.1338 -77.2382 -19.1978 GPRESSURE: 4261800 -57.118 222.186 47.2377 98.736 4.4475 -117.412 116.401 -15.4697 -16.9523 PRESSAVG: 4261800 50.0137 61.2517 -31.2117 61.2518 -0.592549 11.4743 -31.2117 11.4742 -57.395 GPRESSAVG: 4261800 49.8623 63.6996 -31.4653 59.0388 -0.189661 11.5925 -32.0861 11.5282 -57.5895 TIMING: 4261800 CPU: 12384.3, 0.00288386/step Wall: 12384.3, 0.00288386/step, 0.591351 hours remaining, 206.789062 MB of memory in use. ENERGY: 4261800 722.1738 2059.8164 1937.0893 116.3178 -205981.6964 17772.5656 0.0000 0.0000 34461.8986 -148911.8349 300.9643 -183373.7336 -148822.1572 300.0182 -58.9118 -23.2076 558053.7680 -2.6579 -2.6390 PRESSURE: 4262000 -24.0134 -33.7503 -32.0954 -33.7512 -184.567 88.0141 -32.0952 88.0132 -126.36 GPRESSURE: 4262000 -41.1507 5.96076 71.5685 -29.1245 -79.7618 80.6585 -11.9381 76.8746 -113.425 PRESSAVG: 4262000 49.2979 75.5522 -1.30368 75.5522 20.1764 37.4744 -1.30368 37.4743 -49.7489 GPRESSAVG: 4262000 49.2002 72.8498 -1.19885 76.8437 20.2167 38.1298 -0.975103 36.9531 -49.3617 TIMING: 4262000 CPU: 12384.9, 0.0028705/step Wall: 12384.9, 0.0028705/step, 0.588452 hours remaining, 206.789062 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: 4262000 726.3832 2046.8175 1931.4974 108.7865 -205690.2439 17648.4125 0.0000 0.0000 34292.2862 -148936.0607 299.4831 -183228.3468 -148830.3206 300.0524 -111.6467 -78.1125 557739.3262 6.5751 6.6851 PRESSURE: 4262200 -46.5634 9.3022 69.7807 9.30276 61.5219 -50.9632 69.7816 -50.9619 67.4598 GPRESSURE: 4262200 -25.6924 3.96753 134.452 23.7553 98.2345 -45.2719 2.91488 -64.2181 108.366 PRESSAVG: 4262200 7.02158 22.3218 46.2354 22.3219 -24.1472 -37.0084 46.2354 -37.0085 22.4009 GPRESSAVG: 4262200 6.49304 22.3602 45.5675 20.6337 -24.7277 -35.797 45.9476 -38.4636 23.2485 TIMING: 4262200 CPU: 12385.4, 0.0028981/step Wall: 12385.4, 0.0028981/step, 0.59395 hours remaining, 206.789062 MB of memory in use. ENERGY: 4262200 739.7627 2061.9769 1961.7009 120.5767 -206106.9276 18027.8799 0.0000 0.0000 34248.0933 -148946.9371 299.0971 -183195.0304 -148856.8539 299.2586 27.4728 60.3028 557458.7659 1.7584 1.6713 PRESSURE: 4262400 84.115 -58.2175 -80.3042 -58.2166 -212.325 -31.6032 -80.3037 -31.6052 20.6767 GPRESSURE: 4262400 60.9087 -101.7 -10.4101 -96.2654 -131.909 -2.58129 -89.7128 -29.3743 50.6425 PRESSAVG: 4262400 -9.58861 -45.2665 15.7711 -45.2665 14.1646 -17.3046 15.7712 -17.3046 -36.0579 GPRESSAVG: 4262400 -9.26115 -42.6398 16.6575 -44.9126 13.3637 -18.9673 16.1472 -15.8572 -36.0521 TIMING: 4262400 CPU: 12386, 0.00292043/step Wall: 12386, 0.00292043/step, 0.598364 hours remaining, 206.789062 MB of memory in use. ENERGY: 4262400 751.4123 2096.9055 1964.1503 114.4713 -206059.8147 17680.3221 0.0000 0.0000 34436.0218 -149016.5313 300.7383 -183452.5531 -148914.2464 300.2581 -35.8445 -6.7861 557712.4490 -10.4940 -10.6498 PRESSURE: 4262600 230.516 34.6857 -13.085 34.6859 -77.187 131.082 -13.0859 131.081 -246.92 GPRESSURE: 4262600 276.393 48.3182 9.09173 -32.3124 -87.8174 164.604 7.97118 97.7077 -176.154 PRESSAVG: 4262600 74.0724 -5.97825 14.6399 -5.97827 -2.77685 47.5296 14.6399 47.5296 -28.3558 GPRESSAVG: 4262600 73.938 -7.49633 14.7588 -7.24072 -2.3928 48.5075 14.3065 47.7171 -28.1804 TIMING: 4262600 CPU: 12386.6, 0.00290559/step Wall: 12386.6, 0.00290559/step, 0.595162 hours remaining, 206.789062 MB of memory in use. ENERGY: 4262600 765.0156 2088.8238 1956.8486 120.1682 -206348.0162 17826.7914 0.0000 0.0000 34472.3969 -149117.9717 301.0560 -183590.3686 -149017.6376 300.0886 -31.1972 4.1405 557586.4718 14.3133 14.4549 PRESSURE: 4262800 -131.751 -113.315 -77.3863 -113.315 -96.6026 16.8483 -77.3877 16.8476 -164.78 GPRESSURE: 4262800 -43.3178 -140.647 -100.292 -107.36 -88.8951 -16.8455 -94.413 27.9301 -174.927 PRESSAVG: 4262800 -10.2304 -20.8452 -22.5979 -20.8451 -36.448 -9.12466 -22.598 -9.12452 32.343 GPRESSAVG: 4262800 -9.4762 -20.9147 -21.8874 -18.481 -36.001 -10.6085 -22.6096 -8.39481 31.3241 TIMING: 4262800 CPU: 12387.2, 0.00289034/step Wall: 12387.2, 0.00289034/step, 0.591877 hours remaining, 206.789062 MB of memory in use. ENERGY: 4262800 746.1485 2092.3746 1945.7731 119.1745 -205654.6361 17461.9767 0.0000 0.0000 33996.4883 -149292.7005 296.8998 -183289.1887 -149202.8613 299.0342 -131.0446 -102.3799 559039.7236 -4.7785 -4.7177 PRESSURE: 4263000 -378.507 -35.4634 2.48276 -35.4631 -190.795 -7.64305 2.48234 -7.64328 70.1835 GPRESSURE: 4263000 -350.975 -9.22596 -53.7211 -18.2319 -151.956 -5.72279 31.7672 -10.0777 109.845 PRESSAVG: 4263000 67.9465 -8.57051 -2.72753 -8.57045 -41.7629 14.0391 -2.72756 14.0391 -4.7019 GPRESSAVG: 4263000 67.8051 -11.7715 -3.22166 -8.04522 -43.0689 16.9829 -4.0305 11.3523 -3.25985 TIMING: 4263000 CPU: 12387.8, 0.00287746/step Wall: 12387.8, 0.00287746/step, 0.589081 hours remaining, 206.992188 MB of memory in use. ENERGY: 4263000 726.8625 2082.3757 1976.1892 129.9306 -206238.8763 17632.0482 0.0000 0.0000 34476.0803 -149215.3898 301.0882 -183691.4701 -149126.4232 299.7892 -166.3729 -131.0287 557447.5554 7.1606 7.1588 PRESSURE: 4263200 -141.545 128.18 -47.2906 128.181 -9.60112 -34.1487 -47.2928 -34.1478 -205.287 GPRESSURE: 4263200 -175.385 143.114 -35.941 96.2464 30.8826 -77.494 48.7653 7.57965 -125.571 PRESSAVG: 4263200 35.6357 -3.2146 -10.9978 -3.21464 -67.2805 -7.64834 -10.9978 -7.6485 5.80365 GPRESSAVG: 4263200 35.4186 -0.591183 -10.1709 -4.0747 -65.2372 -8.17147 -10.2248 -6.18949 3.7449 TIMING: 4263200 CPU: 12388.3, 0.00289707/step Wall: 12388.3, 0.00289708/step, 0.592935 hours remaining, 206.992188 MB of memory in use. ENERGY: 4263200 787.5262 2117.6047 1956.0335 100.7767 -206112.1025 17615.4907 0.0000 0.0000 34454.6589 -149080.0119 300.9011 -183534.6708 -148989.0292 299.9666 -118.8109 -90.0246 558118.4087 -8.6137 -8.6912 PRESSURE: 4263400 5.4762 131.452 -69.445 131.453 176.904 36.3418 -69.4449 36.3404 316.302 GPRESSURE: 4263400 35.751 169.959 10.6545 114.89 239.797 119.232 -86.7553 26.5136 311.641 PRESSAVG: 4263400 -9.558 36.9922 27.627 36.9923 -23.1745 34.8151 27.627 34.815 40.1823 GPRESSAVG: 4263400 -9.46023 38.9141 27.1959 34.8682 -24.5575 34.0919 27.8162 34.5719 41.0828 TIMING: 4263400 CPU: 12388.9, 0.00288228/step Wall: 12388.9, 0.00288228/step, 0.589747 hours remaining, 206.992188 MB of memory in use. ENERGY: 4263400 728.6867 2108.2617 1952.5629 100.7827 -206219.0647 17896.0129 0.0000 0.0000 34286.4397 -149146.3181 299.4320 -183432.7579 -149048.2739 299.7760 166.2276 195.7299 556103.9990 2.4833 2.3550 PRESSURE: 4263600 93.7572 9.13935 -4.96056 9.13872 7.50155 -15.1393 -4.9608 -15.1406 -34.977 GPRESSURE: 4263600 166.37 54.8273 23.9664 -17.9763 7.16125 -78.1516 17.6743 39.6196 -10.9439 PRESSAVG: 4263600 26.5762 36.844 -32.793 36.8441 -31.8474 -11.0087 -32.793 -11.0085 22.373 GPRESSAVG: 4263600 27.5333 37.2841 -32.6286 37.3678 -32.2895 -10.1031 -33.0379 -12.1414 22.4096 TIMING: 4263600 CPU: 12389.5, 0.00289482/step Wall: 12389.5, 0.00289482/step, 0.592152 hours remaining, 206.992188 MB of memory in use. ENERGY: 4263600 754.4952 2070.0427 1978.4173 107.9163 -205924.8650 17770.1242 0.0000 0.0000 34262.5105 -148981.3588 299.2230 -183243.8692 -148891.8236 299.8025 22.0939 54.1959 558286.3952 5.7006 5.8845 PRESSURE: 4263800 86.8416 44.1122 -10.5088 44.1117 -40.807 -22.7249 -10.5075 -22.7246 -328.456 GPRESSURE: 4263800 69.7915 87.7418 -9.75454 8.70587 11.1611 75.8282 -52.8464 -52.0011 -270.707 PRESSAVG: 4263800 11.0067 -15.2338 14.2574 -15.2338 44.9588 83.6561 14.2574 83.6561 -68.071 GPRESSAVG: 4263800 11.7165 -18.3997 14.1642 -13.7066 45.6415 83.7807 13.5376 86.1734 -69.1488 TIMING: 4263800 CPU: 12390.1, 0.00287953/step Wall: 12390.1, 0.00287953/step, 0.588864 hours remaining, 206.992188 MB of memory in use. ENERGY: 4263800 725.3257 2071.1978 1960.0142 103.2657 -205864.1260 17657.9876 0.0000 0.0000 34298.1721 -149048.1629 299.5345 -183346.3350 -148956.7795 299.8789 -94.1404 -63.2513 557752.9193 -4.0352 -3.9302 PRESSURE: 4264000 -40.4373 32.8757 19.6929 32.8746 23.401 -112.1 19.6923 -112.101 -404.639 GPRESSURE: 4264000 40.0316 25.2951 96.2567 37.4426 -29.0638 -106.097 -35.5055 -105.07 -352.322 PRESSAVG: 4264000 70.396 11.8558 6.51426 11.8558 39.2865 -33.8242 6.51424 -33.8244 -66.9981 GPRESSAVG: 4264000 71.2704 13.5808 6.84479 12.1331 38.5567 -33.725 6.25446 -35.026 -67.2416 TIMING: 4264000 CPU: 12390.6, 0.00288198/step Wall: 12390.6, 0.00288198/step, 0.589204 hours remaining, 206.992188 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: 4264000 761.7205 2123.3904 1981.6681 100.8528 -205836.3632 17630.2327 0.0000 0.0000 34357.6154 -148880.8833 300.0536 -183238.4988 -148781.5071 300.2429 -140.5583 -113.7846 556825.6654 14.2282 14.1952 PRESSURE: 4264200 340.785 -13.9586 -47.1993 -13.9598 -77.1435 -86.8164 -47.2002 -86.8182 -280.511 GPRESSURE: 4264200 319.655 -6.69077 -102.473 -59.3042 -25.5654 -85.9978 -40.4164 -111.894 -210.442 PRESSAVG: 4264200 89.0755 31.4707 -71.6468 31.4707 -9.79759 19.6106 -71.6467 19.6106 -100.45 GPRESSAVG: 4264200 87.7629 32.5462 -72.1864 29.9734 -9.22143 19.6523 -71.6137 19.5777 -99.6006 TIMING: 4264200 CPU: 12391.2, 0.00289862/step Wall: 12391.2, 0.00289862/step, 0.592446 hours remaining, 206.992188 MB of memory in use. ENERGY: 4264200 753.6888 2118.9621 1942.0074 113.1635 -206583.8404 17971.3806 0.0000 0.0000 34521.3427 -149163.2953 301.4835 -183684.6380 -149061.0753 300.0750 -5.6231 27.8823 556268.0031 -7.0572 -7.0197 LDB: ============= START OF LOAD BALANCING ============== 12394.7 LDB: ============== END OF LOAD BALANCING =============== 12394.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12394.7 LDB: ============= START OF LOAD BALANCING ============== 12395 LDB: Largest compute 4848 load 0.027492 is 23.3% of average load 0.117808 LDB: Average compute 0.001750 is 1.5% of average load 0.117808 LDB: TIME 12395 LOAD: AVG 0.117808 MAX 0.179692 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 12395 LOAD: AVG 0.117808 MAX 0.179692 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 12395 LOAD: AVG 0.117808 MAX 0.179692 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12395 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12395 PRESSURE: 4264400 32.9669 -8.03277 -7.48343 -8.03016 -1.03603 99.9404 -7.48274 99.9405 -57.8449 GPRESSURE: 4264400 78.9652 66.6111 -71.9687 -79.6306 47.1432 127.436 -16.7271 168.494 -52.5377 PRESSAVG: 4264400 144.228 -9.01445 15.1874 -9.01441 -50.6923 37.2332 15.1874 37.2331 -83.4637 GPRESSAVG: 4264400 143.516 -8.51441 14.1095 -9.17993 -51.0038 37.4857 16.6631 37.1443 -82.5841 TIMING: 4264400 CPU: 12391.8, 0.0029571/step Wall: 12391.8, 0.0029571/step, 0.604234 hours remaining, 207.613281 MB of memory in use. ENERGY: 4264400 790.0768 2054.1102 1954.2440 99.2235 -206167.4651 17767.1438 0.0000 0.0000 34248.3175 -149254.3494 299.0991 -183502.6668 -149159.5496 300.1987 -8.6380 24.5236 558211.3176 3.3575 3.3095 PRESSURE: 4264600 74.0907 -71.4425 -98.7757 -71.4426 182.273 -21.1803 -98.7759 -21.1806 10.6957 GPRESSURE: 4264600 28.9924 -65.6995 -107.38 -50.0783 201.685 -54.8144 -137.833 -74.1601 126.43 PRESSAVG: 4264600 10.0541 -18.4205 -62.4043 -18.4205 -19.958 -10.0692 -62.4043 -10.0691 -2.78315 GPRESSAVG: 4264600 10.9495 -19.1928 -62.1968 -17.4463 -20.7232 -9.98422 -63.6731 -9.06401 -3.13379 TIMING: 4264600 CPU: 12392.4, 0.00291305/step Wall: 12392.4, 0.00291305/step, 0.595071 hours remaining, 207.613281 MB of memory in use. ENERGY: 4264600 760.8449 2068.5787 1939.5833 113.2922 -206490.9294 18019.4471 0.0000 0.0000 34326.8438 -149262.3394 299.7849 -183589.1832 -149167.5972 298.6081 89.0199 119.0361 558140.8206 -4.2290 -4.3025 PRESSURE: 4264800 240.368 150.385 -123.411 150.383 137.966 -124.686 -123.411 -124.686 20.6983 GPRESSURE: 4264800 261.542 117.44 -94.213 168.336 203.274 -146.362 -148.251 -87.3123 38.0084 PRESSAVG: 4264800 13.8041 20.6154 -45.7758 20.6153 67.3853 39.3619 -45.7758 39.3619 -40.2673 GPRESSAVG: 4264800 13.8706 19.0779 -45.474 18.7181 67.0805 40.0217 -44.8212 38.6183 -40.058 TIMING: 4264800 CPU: 12393, 0.00291446/step Wall: 12393, 0.00291446/step, 0.595198 hours remaining, 207.613281 MB of memory in use. ENERGY: 4264800 834.1252 2060.6456 1956.5326 103.9010 -206506.2774 18017.1708 0.0000 0.0000 34244.0937 -149289.8087 299.0622 -183533.9023 -149195.7434 299.1617 133.0107 167.6079 556702.2176 13.6407 13.6310 PRESSURE: 4265000 93.917 -57.8154 81.9025 -57.8161 13.6783 -10.362 81.902 -10.3618 438.824 GPRESSURE: 4265000 118.94 19.4698 53.6903 -42.8318 41.0447 -33.702 82.2339 70.7858 497.153 PRESSAVG: 4265000 -60.8663 4.78416 -31.5376 4.78421 10.8793 39.9202 -31.5375 39.9202 61.8771 GPRESSAVG: 4265000 -61.9463 5.1822 -30.6035 6.41033 11.3484 38.7698 -32.6736 40.6804 62.1973 TIMING: 4265000 CPU: 12393.6, 0.00288554/step Wall: 12393.6, 0.00288554/step, 0.58913 hours remaining, 207.613281 MB of memory in use. ENERGY: 4265000 740.7780 2119.0202 1940.2212 103.4069 -206284.1047 17994.3084 0.0000 0.0000 34179.0154 -149207.3546 298.4938 -183386.3700 -149119.6236 298.4786 182.1399 219.0459 556295.3163 3.9633 3.8665 PRESSURE: 4265200 -194.106 -167.385 8.56426 -167.386 -359.762 83.0824 8.56376 83.0836 -2.03998 GPRESSURE: 4265200 -114.685 -154.632 -68.2054 -193.446 -288.464 34.241 1.68132 89.0556 -53.475 PRESSAVG: 4265200 -26.0722 26.1976 4.25347 26.1976 4.06489 -4.30358 4.25355 -4.30369 6.94613 GPRESSAVG: 4265200 -25.4651 25.8403 3.06315 27.1264 3.4852 -3.78612 6.5346 -4.47284 6.34697 TIMING: 4265200 CPU: 12394.1, 0.00288623/step Wall: 12394.1, 0.00288623/step, 0.589112 hours remaining, 207.613281 MB of memory in use. ENERGY: 4265200 757.0900 2086.8671 1953.0724 117.9263 -206140.8807 17614.6798 0.0000 0.0000 34349.0429 -149262.2022 299.9787 -183611.2451 -149162.5987 298.9913 -185.3027 -152.2080 557254.0464 -5.0204 -5.2110 PRESSURE: 4265400 -24.7798 25.3224 11.9053 25.3236 -76.2957 336.739 11.9049 336.739 -156.907 GPRESSURE: 4265400 -13.6816 128.679 74.5571 -30.9775 -15.1717 266.571 43.3868 349.272 -130.015 PRESSAVG: 4265400 -48.7537 13.3469 16.0551 13.347 56.1896 61.374 16.055 61.3741 -54.3903 GPRESSAVG: 4265400 -48.6473 13.9872 18.8241 11.7466 57.4013 63.1831 14.4855 59.7911 -55.3715 TIMING: 4265400 CPU: 12394.7, 0.00289704/step Wall: 12394.7, 0.00289704/step, 0.591157 hours remaining, 207.613281 MB of memory in use. ENERGY: 4265400 777.6419 2094.3834 1937.9720 101.6882 -205995.5294 17749.1655 0.0000 0.0000 34075.4789 -149259.1995 297.5896 -183334.6784 -149168.7080 299.2677 -85.9942 -52.9563 558446.0131 -15.6515 -15.5392 PRESSURE: 4265600 -200.934 -50.6815 -52.0282 -50.6819 -196.632 5.11932 -52.027 5.11948 -26.0524 GPRESSURE: 4265600 -172.505 -96.5666 -36.3624 -34.5786 -154.754 48.6876 -120.288 5.87729 3.47911 PRESSAVG: 4265600 -8.54968 -35.9061 9.41104 -35.906 30.519 20.1788 9.41115 20.1789 6.77161 GPRESSAVG: 4265600 -8.43453 -36.4472 7.21129 -34.6901 30.74 19.188 10.3315 21.0915 7.38007 TIMING: 4265600 CPU: 12395.3, 0.00291694/step Wall: 12395.3, 0.00291694/step, 0.595056 hours remaining, 207.613281 MB of memory in use. ENERGY: 4265600 754.3810 2070.7327 1968.8613 114.0162 -205811.3118 17565.2223 0.0000 0.0000 34224.8455 -149113.2529 298.8941 -183338.0984 -149012.0322 298.9784 -141.2063 -107.9266 558800.4131 9.5803 9.8952 PRESSURE: 4265800 -35.5546 -60.5376 -150.344 -60.5362 -93.8508 126.031 -150.342 126.03 78.6101 GPRESSURE: 4265800 -5.72584 -67.9076 -191.782 -120.779 -44.5484 141.591 -191.728 155.951 95.7382 PRESSAVG: 4265800 -16.6752 -46.2719 -37.0685 -46.2719 -3.9601 -17.7208 -37.0684 -17.7209 10.2816 GPRESSAVG: 4265800 -16.9617 -44.438 -37.603 -46.0589 -3.63035 -16.8397 -37.7026 -17.1068 10.2036 TIMING: 4265800 CPU: 12395.9, 0.00291192/step Wall: 12395.9, 0.00291192/step, 0.59387 hours remaining, 207.613281 MB of memory in use. ENERGY: 4265800 752.0449 2056.1104 1935.8180 107.9757 -206347.7099 17853.7619 0.0000 0.0000 34451.2563 -149190.7426 300.8714 -183641.9989 -149089.8948 300.1796 -16.9318 15.1547 557965.6803 -3.4512 -3.4628 PRESSURE: 4266000 -242.26 136.302 8.00169 136.302 -89.5734 134.469 8.00203 134.468 -104.876 GPRESSURE: 4266000 -205.825 70.1998 37.3629 167.114 -37.6132 152.1 91.6789 181.059 -91.5789 PRESSAVG: 4266000 46.7997 -6.46886 34.5201 -6.46878 -26.2031 54.2655 34.52 54.2654 21.0102 GPRESSAVG: 4266000 47.8617 -8.47466 34.9703 -5.39405 -26.2832 53.9393 35.0844 51.7221 20.7568 TIMING: 4266000 CPU: 12396.5, 0.00290337/step Wall: 12396.5, 0.00290337/step, 0.591964 hours remaining, 207.613281 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: 4266000 748.7531 2072.5417 1969.7843 126.2287 -205726.8155 17565.0753 0.0000 0.0000 34019.8503 -149224.5819 297.1038 -183244.4323 -149127.7372 298.4439 -145.5697 -111.6723 558459.7980 13.8689 14.1118 PRESSURE: 4266200 -286.944 -44.5593 10.2388 -44.5593 -197.439 -47.122 10.2377 -47.1204 -53.3004 GPRESSURE: 4266200 -245.613 -55.9027 -24.7688 -50.6154 -134.852 -94.0248 34.339 -102.106 -67.4249 PRESSAVG: 4266200 47.8262 -8.32179 22.3957 -8.3217 -83.5342 48.5589 22.3957 48.5588 9.66811 GPRESSAVG: 4266200 47.478 -7.76729 22.832 -10.1979 -83.9396 48.3057 20.8272 49.27 10.2741 TIMING: 4266200 CPU: 12397, 0.00290111/step Wall: 12397, 0.00290111/step, 0.591343 hours remaining, 207.613281 MB of memory in use. ENERGY: 4266200 732.1985 2127.7877 1959.5575 113.8120 -205751.6627 17616.0809 0.0000 0.0000 33998.9140 -149203.3122 296.9210 -183202.2262 -149105.9217 298.1838 -179.2281 -149.2964 558697.0085 -8.6800 -8.7292 PRESSURE: 4266400 -143.379 132.197 9.55197 132.197 326.563 -23.2774 9.55319 -23.2782 -146.011 GPRESSURE: 4266400 -149.265 95.9982 22.4548 203.32 310.572 -67.3443 7.761 2.11433 -26.0715 PRESSAVG: 4266400 -36.7289 16.6767 22.9501 16.6766 38.5368 -8.0889 22.9501 -8.08886 0.273644 GPRESSAVG: 4266400 -36.7495 15.3286 21.0248 17.3371 38.1984 -9.052 24.9545 -6.12285 0.689196 TIMING: 4266400 CPU: 12397.6, 0.00289969/step Wall: 12397.6, 0.00289969/step, 0.590892 hours remaining, 207.613281 MB of memory in use. ENERGY: 4266400 740.9632 2133.5023 1968.1648 112.5193 -206058.0195 17808.8118 0.0000 0.0000 34086.6904 -149207.3677 297.6875 -183294.0581 -149126.5144 298.4180 12.3908 45.0784 557603.8745 0.6938 0.7127 PRESSURE: 4266600 195.11 -196.074 62.9545 -196.073 30.8472 -238.318 62.954 -238.318 -389.154 GPRESSURE: 4266600 263.022 -191.988 145.588 -181.53 59.1109 -255.403 -36.5918 -313.049 -384.246 PRESSAVG: 4266600 32.1546 7.30554 6.32972 7.30549 89.2875 -37.6426 6.32969 -37.6426 -79.0027 GPRESSAVG: 4266600 33.8729 6.79396 9.79802 8.11183 88.3849 -36.4112 5.12097 -38.8781 -79.5002 TIMING: 4266600 CPU: 12398.2, 0.00293166/step Wall: 12398.2, 0.00293166/step, 0.597244 hours remaining, 207.613281 MB of memory in use. ENERGY: 4266600 761.6535 2102.0388 1976.4400 112.9375 -206399.9946 17816.3147 0.0000 0.0000 34267.8153 -149362.7949 299.2694 -183630.6102 -149258.6326 298.7837 -54.3992 -20.7045 555949.5821 14.1465 14.2525 PRESSURE: 4266800 37.9788 71.0691 -205.324 71.0679 45.1099 -162.552 -205.325 -162.552 258.823 GPRESSURE: 4266800 59.883 -29.8168 -96.7459 143.214 113.392 -253.678 -224.539 -206.858 266.044 PRESSAVG: 4266800 -29.1223 -14.1491 25.3151 -14.149 57.094 -21.0089 25.3151 -21.009 -1.30778 GPRESSAVG: 4266800 -30.7998 -11.5811 24.9515 -14.6825 58.8564 -21.0464 27.581 -20.5531 -2.26154 TIMING: 4266800 CPU: 12398.8, 0.00291782/step Wall: 12398.8, 0.00291782/step, 0.594262 hours remaining, 207.613281 MB of memory in use. ENERGY: 4266800 734.8989 2118.7213 1972.9611 104.6698 -206355.3947 17969.1306 0.0000 0.0000 34092.8687 -149362.1443 297.7415 -183455.0130 -149265.7431 299.3391 113.9705 146.4398 556235.1441 8.8880 8.5984 PRESSURE: 4267000 5.52463 183.573 60.5987 183.573 -18.5931 -56.241 60.5999 -56.2408 -102.842 GPRESSURE: 4267000 -34.1553 107.798 75.4964 165.921 68.7843 -57.0874 67.3229 -70.7237 -55.2491 PRESSAVG: 4267000 -52.009 21.8998 -21.7601 21.8998 8.03766 -78.5736 -21.7601 -78.5735 62.6341 GPRESSAVG: 4267000 -52.6223 20.695 -21.3586 20.9058 7.24169 -80.1919 -23.6474 -78.3254 64.2965 TIMING: 4267000 CPU: 12399.4, 0.0029022/step Wall: 12399.4, 0.0029022/step, 0.590919 hours remaining, 207.613281 MB of memory in use. ENERGY: 4267000 744.5581 2100.1969 1956.9069 113.4823 -206208.4693 17787.1299 0.0000 0.0000 34146.4976 -149359.6977 298.2099 -183506.1953 -149263.2236 298.8834 -38.6369 -6.8734 556454.0096 6.2209 6.3053 PRESSURE: 4267200 -204.923 63.2389 1.09374 63.238 -42.5879 -16.1606 1.09267 -16.1589 -105.177 GPRESSURE: 4267200 -161.727 27.2291 -47.128 147.818 -44.9844 -75.1841 17.8029 -36.6054 -59.7917 PRESSAVG: 4267200 -39.839 15.318 -77.1734 15.3179 25.8305 10.7685 -77.1733 10.7685 -9.79357 GPRESSAVG: 4267200 -39.5954 16.7402 -78.3823 15.9132 26.2819 11.241 -77.9824 10.7845 -9.68523 TIMING: 4267200 CPU: 12399.9, 0.00290003/step Wall: 12399.9, 0.00290003/step, 0.590317 hours remaining, 207.613281 MB of memory in use. ENERGY: 4267200 743.8976 2079.3276 1967.5133 119.1863 -206030.4261 17648.2805 0.0000 0.0000 34117.5279 -149354.6929 297.9569 -183472.2208 -149257.0054 299.4407 -117.5628 -88.8343 558088.6441 -7.9340 -7.6662 PRESSURE: 4267400 -38.9363 -45.4099 -76.0191 -45.4102 100.905 -186.312 -76.0192 -186.312 -190.663 GPRESSURE: 4267400 -42.413 -59.8528 -47.2366 -25.7765 204.824 -216.81 -35.2897 -233.846 -190.028 PRESSAVG: 4267400 -40.0829 -1.55421 -22.8576 -1.55417 18.139 -11.5151 -22.8577 -11.5151 16.0572 GPRESSAVG: 4267400 -39.9894 -4.53769 -23.0684 -1.29578 18.372 -12.6528 -21.7708 -11.6917 16.0064 TIMING: 4267400 CPU: 12400.5, 0.00290392/step Wall: 12400.5, 0.00290392/step, 0.590948 hours remaining, 207.613281 MB of memory in use. ENERGY: 4267400 733.4102 2045.9638 1942.4910 116.6513 -206126.8657 17768.2863 0.0000 0.0000 34181.5487 -149338.5143 298.5160 -183520.0630 -149239.7309 299.0512 -42.8982 -9.2057 557185.3780 -1.9622 -1.8703 PRESSURE: 4267600 -144.706 -32.9032 87.7813 -32.9036 -251.734 47.1099 87.7801 47.1102 -4.43745 GPRESSURE: 4267600 -64.5951 -52.6417 117.412 9.67879 -255.676 19.5176 8.6858 25.2853 20.8218 PRESSAVG: 4267600 8.44522 -22.4637 -24.8551 -22.4636 -6.5746 4.29432 -24.8551 4.29431 -22.0824 GPRESSAVG: 4267600 7.37354 -19.3531 -24.369 -23.723 -5.36459 5.433 -27.2243 1.84296 -21.6942 TIMING: 4267600 CPU: 12401.1, 0.00288969/step Wall: 12401.1, 0.00288969/step, 0.587892 hours remaining, 207.613281 MB of memory in use. ENERGY: 4267600 740.2946 2017.7082 1941.5333 104.1976 -205892.5249 17520.3378 0.0000 0.0000 34233.5332 -149334.9202 298.9700 -183568.4534 -149236.7363 298.9226 -133.6257 -99.8163 558361.8773 -6.7373 -6.5617 PRESSURE: 4267800 98.3482 -94.4396 -118.358 -94.4384 177.312 -20.7479 -118.36 -20.7488 237.153 GPRESSURE: 4267800 152.773 -71.9015 -109.859 -154.033 167.303 -70.7654 -86.4185 61.6033 277.887 PRESSAVG: 4267800 -37.2904 2.75087 -2.3191 2.7508 -24.0398 1.69502 -2.31908 1.69513 30.8451 GPRESSAVG: 4267800 -35.7371 2.73449 -3.33888 3.27201 -25.9711 1.02884 -0.800702 3.03108 31.3819 TIMING: 4267800 CPU: 12401.7, 0.00289617/step Wall: 12401.7, 0.00289617/step, 0.589049 hours remaining, 207.613281 MB of memory in use. ENERGY: 4267800 746.9584 2103.1222 1974.5422 103.8085 -206385.3796 17974.9676 0.0000 0.0000 33934.9617 -149547.0188 296.3625 -183481.9806 -149457.4110 298.0126 170.9376 199.3210 556071.8278 -10.1617 -10.1088 PRESSURE: 4268000 225.152 -80.7671 169.146 -80.7668 109.182 26.51 169.146 26.5105 -187.385 GPRESSURE: 4268000 218.971 -94.6009 184.459 -65.0063 189.122 24.66 196.185 -28.1043 -161.505 PRESSAVG: 4268000 -25.3213 -28.0135 3.98587 -28.0135 57.495 49.0335 3.98588 49.0336 -11.4711 GPRESSAVG: 4268000 -24.99 -28.4442 5.22563 -28.9154 57.4126 48.9289 5.19012 50.0868 -11.6662 TIMING: 4268000 CPU: 12402.3, 0.00289593/step Wall: 12402.3, 0.00289593/step, 0.58884 hours remaining, 207.613281 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: 4268000 751.0288 2109.8863 1965.4542 116.4542 -206288.9881 17730.6109 0.0000 0.0000 34188.0623 -149427.4915 298.5729 -183615.5538 -149336.1734 298.1548 48.9830 82.1961 556240.8244 6.9009 6.9188 PRESSURE: 4268200 45.6756 117.776 -53.2214 117.777 -129.929 151.184 -53.2216 151.183 -36.1878 GPRESSURE: 4268200 90.207 144.838 -100.209 147.598 -75.5618 182.386 -43.0837 163.145 -27.1973 PRESSAVG: 4268200 4.54813 25.304 11.9297 25.304 50.5983 4.75854 11.9296 4.7586 -21.3992 GPRESSAVG: 4268200 5.04428 25.6327 11.4494 25.9149 50.6471 4.3654 10.9375 5.86095 -21.8916 TIMING: 4268200 CPU: 12402.8, 0.00291147/step Wall: 12402.8, 0.00291147/step, 0.591838 hours remaining, 207.613281 MB of memory in use. ENERGY: 4268200 720.4670 2065.6894 1940.7643 115.5911 -206738.9487 17912.1998 0.0000 0.0000 34448.3973 -149535.8398 300.8464 -183984.2370 -149438.6945 299.1555 -40.1471 -4.1841 557971.2871 11.2491 11.2666 LDB: ============= START OF LOAD BALANCING ============== 12406.3 LDB: ============== END OF LOAD BALANCING =============== 12406.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12406.3 LDB: ============= START OF LOAD BALANCING ============== 12406.6 LDB: Largest compute 4848 load 0.028246 is 24.0% of average load 0.117755 LDB: Average compute 0.001743 is 1.5% of average load 0.117755 LDB: TIME 12406.6 LOAD: AVG 0.117755 MAX 0.1796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 12406.6 LOAD: AVG 0.117755 MAX 0.1796 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 12406.6 LOAD: AVG 0.117755 MAX 0.1796 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: ============== END OF LOAD BALANCING =============== 12406.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12406.6 PRESSURE: 4268400 -123.112 -54.8486 -134.3 -54.8493 -178.152 -97.144 -134.302 -97.1448 -44.8627 GPRESSURE: 4268400 -98.133 65.1831 -34.144 -77.4124 -177.26 -52.9537 -72.113 -137.31 23.2084 PRESSAVG: 4268400 -15.5746 23.3836 14.7651 23.3834 60.8406 -0.985249 14.7651 -0.985402 -10.1294 GPRESSAVG: 4268400 -16.6624 23.9353 17.0537 22.7465 62.2849 0.797888 12.2073 -2.87219 -9.7281 TIMING: 4268400 CPU: 12403.4, 0.00294394/step Wall: 12403.4, 0.00294394/step, 0.598275 hours remaining, 207.898438 MB of memory in use. ENERGY: 4268400 759.6349 2078.9027 1952.2317 108.2556 -206159.7310 17699.1987 0.0000 0.0000 34053.1939 -149508.3135 297.3950 -183561.5074 -149409.9344 298.7705 -115.3754 -84.0615 558068.9958 11.7122 11.9648 PRESSURE: 4268600 52.9906 0.580627 -81.8706 0.580549 -104.084 33.442 -81.8709 33.4417 67.3665 GPRESSURE: 4268600 124.705 21.4729 -94.6794 -13.1207 -51.4226 62.1143 -6.8015 56.2586 15.9553 PRESSAVG: 4268600 11.3508 -6.96902 -45.21 -6.96904 33.9179 10.6859 -45.21 10.6859 -20.3174 GPRESSAVG: 4268600 12.4571 -4.98093 -48.3362 -7.94494 32.7578 9.04892 -41.9786 12.1736 -19.8819 TIMING: 4268600 CPU: 12404, 0.00288197/step Wall: 12404, 0.00288197/step, 0.58552 hours remaining, 207.968750 MB of memory in use. ENERGY: 4268600 804.7030 2103.1013 1954.8088 116.3580 -206507.3480 17862.6276 0.0000 0.0000 34237.9255 -149427.8238 299.0083 -183665.7493 -149328.4664 298.3004 5.4245 29.7459 554821.1522 8.3171 8.4443 PRESSURE: 4268800 -108.652 -187.32 -19.3678 -187.32 -223.747 -151.219 -19.3677 -151.219 144.524 GPRESSURE: 4268800 -52.978 -166.818 -44.4914 -227.9 -204.556 -51.3699 -31.1699 -149.177 168.079 PRESSAVG: 4268800 -26.8114 -75.7916 -8.52807 -75.7915 -29.3093 6.46866 -8.52791 6.46861 11.6634 GPRESSAVG: 4268800 -26.6577 -78.4706 -4.35389 -74.7362 -28.2171 6.29229 -9.74264 8.20037 9.94986 TIMING: 4268800 CPU: 12404.6, 0.00287555/step Wall: 12404.6, 0.00287555/step, 0.584056 hours remaining, 207.968750 MB of memory in use. ENERGY: 4268800 746.2669 2111.1358 1965.7052 125.1454 -206151.2363 17626.9316 0.0000 0.0000 34256.9129 -149319.1384 299.1741 -183576.0514 -149221.7812 299.4140 -62.6251 -29.8181 556926.2517 -14.8191 -14.9750 PRESSURE: 4269000 -239.244 -56.6241 24.2107 -56.624 -152.981 97.0865 24.2104 97.085 87.1707 GPRESSURE: 4269000 -210.026 11.1766 37.7777 -36.4149 -146.291 156.547 24.2221 4.98123 148.339 PRESSAVG: 4269000 -63.7013 -41.7637 6.25606 -41.7638 39.6982 -10.6532 6.25595 -10.6532 23.3477 GPRESSAVG: 4269000 -63.4955 -41.4564 2.37383 -42.7781 39.6194 -9.29755 8.27396 -13.5269 23.1495 TIMING: 4269000 CPU: 12405.2, 0.00288532/step Wall: 12405.2, 0.00288532/step, 0.585881 hours remaining, 207.968750 MB of memory in use. ENERGY: 4269000 726.9773 2098.8525 1946.3649 127.0745 -206322.1066 17814.7520 0.0000 0.0000 33979.9628 -149628.1227 296.7555 -183608.0855 -149529.0524 298.2549 -101.6849 -69.3261 558355.9258 -0.2184 -0.2422 PRESSURE: 4269200 30.1105 5.35141 -104.585 5.34992 -319.541 28.6213 -104.585 28.6193 122.783 GPRESSURE: 4269200 58.4 -59.7913 -124.502 42.4106 -268.557 3.77021 -172.881 7.48968 132.647 PRESSAVG: 4269200 21.6531 -38.4254 22.1706 -38.4255 -28.3954 -5.49465 22.1708 -5.49472 -0.733324 GPRESSAVG: 4269200 21.4385 -40.0621 22.8578 -36.3034 -27.8854 -6.18988 22.4009 -4.47369 -0.925782 TIMING: 4269200 CPU: 12405.7, 0.00290376/step Wall: 12405.7, 0.00290376/step, 0.589463 hours remaining, 207.968750 MB of memory in use. ENERGY: 4269200 724.3005 2163.2903 1962.5305 123.2660 -206231.0758 17735.4944 0.0000 0.0000 34125.4625 -149396.7314 298.0262 -183522.1940 -149300.4460 298.1296 -55.5491 -25.8368 557997.4621 -2.4919 -2.4576 PRESSURE: 4269400 76.4784 14.0438 -56.8327 14.0446 311.878 -50.844 -56.8348 -50.8434 94.8542 GPRESSURE: 4269400 100.574 -15.7193 -16.464 65.1397 359.56 -78.6758 -62.3038 -24.0015 126.236 PRESSAVG: 4269400 -23.3509 47.2329 -29.7871 47.2329 60.6606 -13.7349 -29.7871 -13.7349 -3.54266 GPRESSAVG: 4269400 -24.884 49.6156 -29.8118 45.3272 61.619 -15.4623 -31.7634 -12.9635 -2.78542 TIMING: 4269400 CPU: 12406.3, 0.00288761/step Wall: 12406.3, 0.00288761/step, 0.586024 hours remaining, 207.968750 MB of memory in use. ENERGY: 4269400 728.1678 2070.5721 1956.0612 117.3146 -206219.5821 17826.8178 0.0000 0.0000 34206.1581 -149314.4906 298.7309 -183520.6486 -149218.7546 298.4598 161.0701 195.4567 554811.3082 11.2557 11.3165 PRESSURE: 4269600 33.333 -73.1475 50.3715 -73.147 -93.6994 113.786 50.3716 113.785 -106.973 GPRESSURE: 4269600 -0.327436 -21.308 93.1531 -90.2444 -7.64703 147.477 88.1848 101.941 -65.0056 PRESSAVG: 4269600 -7.85624 -16.327 1.89853 -16.3271 12.9769 -34.7701 1.89861 -34.7701 -57.6614 GPRESSAVG: 4269600 -6.59821 -16.3584 3.85005 -15.7782 11.5352 -31.9581 -0.310271 -37.8986 -57.531 TIMING: 4269600 CPU: 12406.9, 0.00288538/step Wall: 12406.9, 0.00288538/step, 0.585412 hours remaining, 207.968750 MB of memory in use. ENERGY: 4269600 755.0228 2151.4827 1950.6868 117.3319 -206363.8526 17706.9260 0.0000 0.0000 34256.9919 -149425.4106 299.1748 -183682.4025 -149337.9461 298.6432 -55.7797 -24.3267 555552.9280 -17.5136 -17.5313 PRESSURE: 4269800 -132.016 -13.6508 -136.073 -13.6517 4.3873 95.1172 -136.072 95.1185 -86.5667 GPRESSURE: 4269800 -77.8948 33.8836 -70.8126 -54.5138 -27.3039 -19.3814 -179.649 109.072 -17.0869 PRESSAVG: 4269800 43.1605 -21.66 -2.9315 -21.66 39.3649 20.3407 -2.93153 20.3407 -66.4286 GPRESSAVG: 4269800 42.2423 -22.1445 -6.74748 -21.64 39.2071 21.0176 0.035985 21.5044 -66.1958 TIMING: 4269800 CPU: 12407.5, 0.0028775/step Wall: 12407.5, 0.0028775/step, 0.583653 hours remaining, 207.968750 MB of memory in use. ENERGY: 4269800 732.9516 2116.9462 1955.4498 114.9925 -206248.6091 17610.9872 0.0000 0.0000 34331.6028 -149385.6791 299.8264 -183717.2819 -149290.4517 298.7982 -71.3985 -40.7619 555127.1952 5.3656 5.0846 PRESSURE: 4270000 -207.286 98.1098 -156.069 98.1091 -213.634 20.5196 -156.069 20.5187 -67.5634 GPRESSURE: 4270000 -231.723 53.6556 -197.344 170.667 -122.274 9.85832 -121.684 75.39 -25.4755 PRESSAVG: 4270000 -99.8306 -17.7331 15.749 -17.733 36.6185 27.0665 15.7491 27.0665 56.8587 GPRESSAVG: 4270000 -99.3613 -18.031 17.5307 -16.5492 35.8842 25.6753 15.2144 27.6381 56.8859 TIMING: 4270000 CPU: 12408.1, 0.00288342/step Wall: 12408.1, 0.00288342/step, 0.584693 hours remaining, 207.968750 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: 4270000 746.7127 2057.7352 1914.9887 103.0576 -206261.9121 17616.1695 0.0000 0.0000 34285.4304 -149537.8180 299.4232 -183823.2484 -149439.3830 299.4383 -162.8277 -126.4910 555538.8162 -2.1178 -2.1971 PRESSURE: 4270200 73.1626 -44.1751 -64.8674 -44.1749 123.912 -14.9862 -64.8654 -14.9874 -166.764 GPRESSURE: 4270200 117.018 -90.6075 -81.1471 -67.075 196.884 -21.9089 -21.4228 -55.7659 -188.3 PRESSAVG: 4270200 -24.0491 7.95743 20.7654 7.9575 -9.83929 22.5309 20.7654 22.5308 24.6638 GPRESSAVG: 4270200 -25.4312 9.16465 19.9397 6.04297 -9.49268 22.3906 22.1082 21.2706 25.4875 TIMING: 4270200 CPU: 12408.6, 0.00288326/step Wall: 12408.6, 0.00288326/step, 0.584501 hours remaining, 207.968750 MB of memory in use. ENERGY: 4270200 759.6323 2069.1655 1946.3817 112.5194 -206418.6377 17848.4172 0.0000 0.0000 34274.9302 -149407.5915 299.3315 -183682.5217 -149310.7917 298.7033 10.1035 41.8673 556071.1233 -3.0749 -3.1455 PRESSURE: 4270400 77.9747 -7.34496 38.8048 -7.34555 100.905 18.5587 38.8045 18.5586 -60.8321 GPRESSURE: 4270400 57.0577 -41.1697 42.3084 2.68176 165.016 -0.765809 43.7442 100.567 -6.53841 PRESSAVG: 4270400 -41.4981 -30.851 -16.2087 -30.851 53.4482 41.8274 -16.2088 41.8275 -3.67977 GPRESSAVG: 4270400 -41.9793 -33.1381 -15.3116 -28.2232 54.1897 42.2325 -17.2767 43.7433 -3.94321 TIMING: 4270400 CPU: 12409.2, 0.00288673/step Wall: 12409.2, 0.00288673/step, 0.585044 hours remaining, 207.968750 MB of memory in use. ENERGY: 4270400 719.0461 2149.5645 1931.9134 109.4484 -206542.5228 17824.2620 0.0000 0.0000 34297.1115 -149511.1770 299.5252 -183808.2885 -149414.6043 298.5584 39.3491 71.8451 556238.7873 2.7568 2.7557 PRESSURE: 4270600 -69.5711 36.4046 121.36 36.4044 147.027 -30.6333 121.359 -30.6351 -415.689 GPRESSURE: 4270600 -22.7499 -58.375 255.059 53.2257 139.254 -5.29692 70.2627 -67.9807 -349.836 PRESSAVG: 4270600 6.10843 -1.6735 -11.3554 -1.67352 -3.85021 16.8963 -11.3555 16.8963 29.5168 GPRESSAVG: 4270600 6.95227 -0.068046 -9.74445 -4.3122 -5.7401 16.5627 -12.6744 18.1974 30.7803 TIMING: 4270600 CPU: 12409.8, 0.00289169/step Wall: 12409.8, 0.00289169/step, 0.585889 hours remaining, 207.968750 MB of memory in use. ENERGY: 4270600 764.3258 2093.3495 1930.1550 113.6298 -206099.7652 17616.1832 0.0000 0.0000 34195.9886 -149386.1332 298.6421 -183582.1219 -149290.8498 298.5627 -112.7444 -77.7773 556869.1853 10.5917 10.6641 PRESSURE: 4270800 -96.2296 -5.96864 -13.9977 -5.96942 -152.427 -95.7395 -13.9984 -95.7383 -45.1483 GPRESSURE: 4270800 -77.2124 -18.5915 -6.26077 -97.1056 -102.265 -95.5119 -85.4542 -101.784 -11.4832 PRESSAVG: 4270800 4.29079 -56.2612 -3.57105 -56.2612 26.7547 -10.7608 -3.57115 -10.7608 13.8793 GPRESSAVG: 4270800 4.67442 -57.0726 -3.72405 -54.7572 28.1197 -11.8495 -4.31976 -11.6528 12.1131 TIMING: 4270800 CPU: 12410.4, 0.00289165/step Wall: 12410.4, 0.00289165/step, 0.58572 hours remaining, 207.968750 MB of memory in use. ENERGY: 4270800 760.0243 2070.9564 1941.2425 123.3790 -206381.1476 17843.9498 0.0000 0.0000 34193.5981 -149447.9975 298.6212 -183641.5956 -149355.2198 298.8295 -97.9350 -63.6535 556651.6673 14.9749 14.9691 PRESSURE: 4271000 211.833 149.177 31.3162 149.175 450.291 137.058 31.3172 137.058 -29.5043 GPRESSURE: 4271000 235.697 177.845 28.0512 148.378 485.379 153.27 2.17882 89.0536 15.6032 PRESSAVG: 4271000 26.8328 -34.3655 -22.3103 -34.3655 21.0754 24.804 -22.3103 24.804 -29.7218 GPRESSAVG: 4271000 27.6598 -33.0313 -24.8424 -36.1537 21.3764 23.735 -20.4057 25.993 -30.6019 TIMING: 4271000 CPU: 12410.9, 0.00289191/step Wall: 12410.9, 0.00289191/step, 0.585611 hours remaining, 207.968750 MB of memory in use. ENERGY: 4271000 739.2482 2074.0122 1956.3925 114.2381 -206734.7399 18136.6581 0.0000 0.0000 34068.1674 -149646.0235 297.5258 -183714.1909 -149551.5977 297.9515 210.8733 245.5595 555795.3500 6.0621 6.1448 PRESSURE: 4271200 215.877 51.2019 67.82 51.2011 121.068 -40.4354 67.8198 -40.4355 94.5595 GPRESSURE: 4271200 195.372 -12.3039 16.3617 59.9375 153.114 -18.2823 45.173 20.4476 176.677 PRESSAVG: 4271200 38.3573 -22.5858 -41.8537 -22.5857 62.8852 -26.9547 -41.8537 -26.955 -62.3582 GPRESSAVG: 4271200 36.7294 -23.1813 -41.1013 -20.1234 61.6239 -23.4921 -41.0339 -30.5442 -60.2799 TIMING: 4271200 CPU: 12411.5, 0.00290343/step Wall: 12411.5, 0.00290343/step, 0.587783 hours remaining, 207.968750 MB of memory in use. ENERGY: 4271200 746.5396 2027.4257 1957.3077 114.8230 -206556.7824 18122.6448 0.0000 0.0000 34198.9203 -149389.1214 298.6677 -183588.0416 -149294.1809 297.6681 143.8348 175.0542 555778.1250 12.9614 12.6911 PRESSURE: 4271400 71.6744 147.416 -98.3254 147.418 -14.6058 253.644 -98.3247 253.645 18.2079 GPRESSURE: 4271400 105.189 176.679 -31.2828 73.4429 13.1339 301.165 -88.8266 328.708 63.9163 PRESSAVG: 4271400 9.26703 -11.5797 -7.45571 -11.5796 -1.7515 -1.20514 -7.45564 -1.20517 31.293 GPRESSAVG: 4271400 10.4822 -12.2296 -5.33777 -11.2758 -1.44335 -0.842286 -9.17735 -0.500863 29.5176 TIMING: 4271400 CPU: 12412.1, 0.00287418/step Wall: 12412.1, 0.00287418/step, 0.581702 hours remaining, 207.968750 MB of memory in use. ENERGY: 4271400 760.8794 2029.1702 1946.4364 103.6579 -206035.3980 17788.4681 0.0000 0.0000 34020.5174 -149386.2686 297.1096 -183406.7859 -149286.6783 298.8437 25.0922 60.7464 556637.3289 12.9362 12.8521 PRESSURE: 4271600 0.25243 67.6295 -69.5309 67.6297 133.998 116.55 -69.5322 116.551 197.916 GPRESSURE: 4271600 75.4101 47.1286 -154.484 126.544 122.866 121.323 -3.05943 106.43 236.391 PRESSAVG: 4271600 41.0671 80.2655 -30.7291 80.2655 -25.3491 -35.3244 -30.7292 -35.3245 -21.6809 GPRESSAVG: 4271600 39.333 81.7423 -33.2796 77.6952 -25.756 -36.4641 -29.3136 -36.7342 -20.4564 TIMING: 4271600 CPU: 12412.7, 0.00288618/step Wall: 12412.7, 0.00288618/step, 0.583971 hours remaining, 207.968750 MB of memory in use. ENERGY: 4271600 709.2885 2099.3097 1967.7540 114.6408 -206361.5670 17950.5895 0.0000 0.0000 34214.5548 -149305.4297 298.8042 -183519.9846 -149209.7496 298.8570 110.7222 144.8889 556292.9031 -1.9876 -2.2931 PRESSURE: 4271800 -73.0807 -38.0179 17.456 -38.0191 95.3004 -17.4295 17.4562 -17.4292 5.17956 GPRESSURE: 4271800 9.66799 4.7685 -28.8556 -70.9627 144.125 21.9374 8.58679 -19.407 -19.8322 PRESSAVG: 4271800 -4.24397 2.78781 1.50668 2.78785 5.30649 19.1412 1.5066 19.1413 31.6899 GPRESSAVG: 4271800 -3.01041 1.01149 3.05098 4.36911 4.95539 18.6675 0.563639 20.5329 30.5968 TIMING: 4271800 CPU: 12413.3, 0.00288447/step Wall: 12413.3, 0.00288447/step, 0.583465 hours remaining, 207.968750 MB of memory in use. ENERGY: 4271800 754.5673 2054.8652 1963.0160 111.5732 -206427.8816 17836.1508 0.0000 0.0000 34262.7532 -149444.9559 299.2251 -183707.7091 -149338.7931 298.8319 9.1331 44.6537 555655.9912 10.9175 10.8472 PRESSURE: 4272000 -111.898 -4.15221 184.325 -4.15178 -44.2849 65.3892 184.324 65.3914 -69.0214 GPRESSURE: 4272000 -118.457 -30.5494 159.899 2.9035 -47.5387 37.3809 171.734 160.743 52.401 PRESSAVG: 4272000 -0.150297 29.8744 60.4799 29.8743 2.94496 -48.1718 60.4799 -48.1718 -25.1715 GPRESSAVG: 4272000 -0.466718 31.4259 60.6752 29.1519 2.21514 -45.775 61.1263 -47.85 -24.0371 TIMING: 4272000 CPU: 12413.8, 0.00287987/step Wall: 12413.8, 0.00287987/step, 0.582374 hours remaining, 207.968750 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: 4272000 734.3824 2124.8038 1953.4669 122.4735 -206150.5077 17677.5441 0.0000 0.0000 34001.7305 -149536.1064 296.9456 -183537.8369 -149433.9967 298.3797 -75.0682 -37.8649 557489.6984 -7.4589 -7.4296 PRESSURE: 4272200 214.864 -10.0571 -14.3268 -10.0578 61.9177 80.7763 -14.3264 80.7759 41.9683 GPRESSURE: 4272200 227.949 37.3275 7.18574 11.2412 134.388 -11.8703 -79.9951 80.2054 48.6987 PRESSAVG: 4272200 12.5543 20.8606 -20.5827 20.8606 -12.9128 57.024 -20.5828 57.0241 42.3099 GPRESSAVG: 4272200 13.1191 20.0403 -22.1376 21.3253 -11.8775 54.6685 -21.7175 55.0648 40.8812 TIMING: 4272200 CPU: 12414.4, 0.00288847/step Wall: 12414.4, 0.00288847/step, 0.583953 hours remaining, 207.968750 MB of memory in use. ENERGY: 4272200 754.9479 2102.7797 1936.1740 111.0400 -206912.3833 18247.0891 0.0000 0.0000 34314.8651 -149445.4875 299.6803 -183760.3526 -149341.5810 298.6201 106.2501 137.0120 556976.9855 13.9838 14.0409 LDB: ============= START OF LOAD BALANCING ============== 12417.9 LDB: ============== END OF LOAD BALANCING =============== 12417.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12417.9 LDB: ============= START OF LOAD BALANCING ============== 12418.2 LDB: Largest compute 4848 load 0.027635 is 23.4% of average load 0.117863 LDB: Average compute 0.001739 is 1.5% of average load 0.117863 LDB: TIME 12418.2 LOAD: AVG 0.117863 MAX 0.179634 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 12418.2 LOAD: AVG 0.117863 MAX 0.179634 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: TIME 12418.2 LOAD: AVG 0.117863 MAX 0.179634 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12418.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12418.2 PRESSURE: 4272400 267.025 60.6596 -44.5884 60.6582 51.2839 37.2122 -44.5877 37.2126 -139.267 GPRESSURE: 4272400 332.373 107.553 -76.511 -43.3818 36.4243 -35.1807 -53.8499 13.7302 -92.8456 PRESSAVG: 4272400 49.8146 40.4245 -14.3515 40.4245 -19.4391 17.2971 -14.3516 17.2969 -41.6895 GPRESSAVG: 4272400 49.0519 39.8345 -13.5539 39.8519 -19.6788 16.6804 -12.1793 19.3605 -40.7902 TIMING: 4272400 CPU: 12415, 0.00297381/step Wall: 12415, 0.00297381/step, 0.60104 hours remaining, 207.613281 MB of memory in use. ENERGY: 4272400 750.3250 2076.7341 1933.6715 106.1118 -206398.3976 17935.0752 0.0000 0.0000 34249.0107 -149347.4693 299.1051 -183596.4800 -149252.6845 298.4401 59.6806 91.9838 556284.1124 -3.7713 -3.8057 PRESSURE: 4272600 -146.986 -57.1656 148.43 -57.1658 -7.3419 -161.917 148.43 -161.917 -195.797 GPRESSURE: 4272600 -116.883 -156.053 54.5762 -59.2831 47.057 -164.493 213.167 -37.7184 -185.684 PRESSAVG: 4272600 -16.0715 29.7527 13.7708 29.7527 6.43173 10.9822 13.7708 10.9822 5.62935 GPRESSAVG: 4272600 -15.146 29.9331 13.2719 29.9552 6.51436 13.8834 13.178 10.2327 5.31158 TIMING: 4272600 CPU: 12415.6, 0.00287725/step Wall: 12415.6, 0.00287725/step, 0.581364 hours remaining, 207.613281 MB of memory in use. ENERGY: 4272600 737.9957 2092.2002 1946.6250 126.6662 -206434.9189 17816.4049 0.0000 0.0000 34389.4229 -149325.6040 300.3314 -183715.0269 -149236.0292 299.5399 -116.7084 -85.1702 557784.4472 -1.3368 -1.1067 PRESSURE: 4272800 -146.268 5.5119 22.0192 5.51293 45.3513 53.9423 22.0193 53.9423 -331.945 GPRESSURE: 4272800 -119.483 79.9168 58.4215 67.4778 72.3048 123.055 -58.188 -15.8248 -263.83 PRESSAVG: 4272800 -32.5286 29.5298 45.4877 29.5298 69.3365 -1.60422 45.4877 -1.60424 -15.9068 GPRESSAVG: 4272800 -32.6106 29.1537 44.7436 29.2607 69.914 -0.66947 46.7643 -2.05727 -15.6026 TIMING: 4272800 CPU: 12416.2, 0.00288397/step Wall: 12416.2, 0.00288397/step, 0.582562 hours remaining, 207.613281 MB of memory in use. ENERGY: 4272800 730.5557 2052.6838 1967.7782 114.9900 -206276.9382 17729.5667 0.0000 0.0000 34346.5303 -149334.8335 299.9568 -183681.3638 -149229.4111 299.3040 -144.2871 -103.6696 559226.0044 6.9670 7.2336 PRESSURE: 4273000 -67.412 -23.5685 15.2161 -23.5705 242.409 -49.629 15.2154 -49.6285 126.177 GPRESSURE: 4273000 -43.1407 36.3954 -2.82243 -30.645 247.541 -86.1662 18.7848 -60.0766 179.909 PRESSAVG: 4273000 -7.53172 55.8097 -10.615 55.8097 55.2333 7.99399 -10.6149 7.99407 -72.7132 GPRESSAVG: 4273000 -7.69187 56.2843 -9.22734 57.3553 54.109 6.51658 -13.6133 8.64356 -71.1796 TIMING: 4273000 CPU: 12416.7, 0.00288053/step Wall: 12416.7, 0.00288053/step, 0.581708 hours remaining, 207.613281 MB of memory in use. ENERGY: 4273000 753.6713 2064.4500 1955.8531 102.8025 -206506.7339 18079.8444 0.0000 0.0000 34263.6987 -149286.4140 299.2334 -183550.1126 -149191.7789 299.3788 100.3913 128.1031 559205.9190 -8.3372 -8.2541 PRESSURE: 4273200 89.4131 80.0158 22.4932 80.0151 -130.053 -28.2922 22.4919 -28.2931 -164.906 GPRESSURE: 4273200 133.794 117.196 121.739 -2.61342 -81.4321 -75.2012 -7.25749 75.7268 -146.005 PRESSAVG: 4273200 -32.0005 30.3685 6.58806 30.3685 -9.03472 1.48826 6.58806 1.48819 -35.2413 GPRESSAVG: 4273200 -31.61 28.5008 5.08219 28.6499 -7.89694 2.12235 9.78714 1.69848 -36.364 TIMING: 4273200 CPU: 12417.3, 0.0029012/step Wall: 12417.3, 0.0029012/step, 0.585721 hours remaining, 207.613281 MB of memory in use. ENERGY: 4273200 752.2001 2049.9210 1930.0715 110.5697 -206121.8034 17665.0796 0.0000 0.0000 34449.1592 -149164.8024 300.8531 -183613.9616 -149060.0753 299.0810 -68.5155 -31.2144 558140.7615 -25.4255 -25.2903 PRESSURE: 4273400 0.812862 -104.898 286.639 -104.899 -76.1174 24.303 286.639 24.3015 115.96 GPRESSURE: 4273400 66.8359 -144.151 253.764 -61.3324 -10.4714 43.1945 293.704 85.3593 92.8359 PRESSAVG: 4273400 22.3962 82.1296 34.213 82.1296 13.6026 -40.597 34.2129 -40.5969 -39.8539 GPRESSAVG: 4273400 22.2621 84.9959 35.2996 81.3016 13.6209 -40.8604 33.1734 -39.089 -39.2899 TIMING: 4273400 CPU: 12417.9, 0.00288822/step Wall: 12417.9, 0.00288822/step, 0.582939 hours remaining, 207.613281 MB of memory in use. ENERGY: 4273400 723.6115 2116.3938 1936.4721 108.4063 -206523.1368 17838.1996 0.0000 0.0000 34569.6460 -149230.4074 301.9053 -183800.0534 -149125.4354 299.5079 13.5519 49.7334 556735.1062 -1.2850 -1.1356 PRESSURE: 4273600 -44.7949 -131.046 51.4746 -131.048 30.8496 5.17564 51.474 5.17558 81.4563 GPRESSURE: 4273600 -37.741 -184.59 54.7353 -36.8669 85.1369 72.0216 56.3589 -43.6189 124.741 PRESSAVG: 4273600 -22.6318 -76.1767 -9.96312 -76.1767 63.1604 -14.0804 -9.96307 -14.0804 32.6118 GPRESSAVG: 4273600 -21.434 -80.1661 -11.3281 -74.9769 60.8571 -13.0196 -8.49728 -15.8086 33.6293 TIMING: 4273600 CPU: 12418.5, 0.00289009/step Wall: 12418.5, 0.00289009/step, 0.583156 hours remaining, 207.613281 MB of memory in use. ENERGY: 4273600 717.1995 2102.2924 1945.2172 117.6041 -206335.2237 17843.3519 0.0000 0.0000 34226.9129 -149382.6457 298.9121 -183609.5585 -149288.6729 299.1626 22.5037 57.3790 556136.2265 24.3801 24.3508 PRESSURE: 4273800 172.097 -185.092 54.4919 -185.092 -296.634 78.7005 54.4931 78.6987 82.2704 GPRESSURE: 4273800 212.876 -109.7 54.8527 -226.992 -285.951 6.25238 24.7635 69.6131 124.127 PRESSAVG: 4273800 -32.0475 -58.8945 49.7746 -58.8945 -113.065 -35.3653 49.7745 -35.3653 110.134 GPRESSAVG: 4273800 -33.5631 -57.0327 49.9008 -59.1716 -110.929 -36.3498 50.0612 -34.3701 109.335 TIMING: 4273800 CPU: 12419, 0.0028951/step Wall: 12419, 0.0028951/step, 0.584005 hours remaining, 207.613281 MB of memory in use. ENERGY: 4273800 750.3898 2087.1762 1945.4864 111.9705 -206362.1345 17952.8752 0.0000 0.0000 34071.0504 -149443.1859 297.5510 -183514.2363 -149340.7057 299.3408 -14.0891 17.0171 557838.5066 -11.6597 -11.7188 PRESSURE: 4274000 203.807 -42.2672 75.7182 -42.2681 -116.412 -138.544 75.7186 -138.544 -141.792 GPRESSURE: 4274000 222.713 -29.6299 8.35189 -27.7381 -64.2301 -147.724 25.4928 -72.8553 -119.834 PRESSAVG: 4274000 55.7288 -22.3088 48.5343 -22.3087 -27.9593 11.1184 48.5343 11.1184 13.3605 GPRESSAVG: 4274000 56.9619 -22.255 49.661 -20.0399 -29.3321 10.2114 43.0439 10.2838 13.0801 TIMING: 4274000 CPU: 12419.6, 0.00289919/step Wall: 12419.6, 0.00289919/step, 0.58467 hours remaining, 207.613281 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: 4274000 781.1406 2075.7243 1970.5461 120.5706 -206662.0287 18037.3963 0.0000 0.0000 34216.6347 -149460.0160 298.8224 -183676.6507 -149363.9631 299.4030 -18.1326 12.8830 557448.2039 13.7100 13.5699 PRESSURE: 4274200 -195.655 110.291 -186.362 110.292 -394.613 179.952 -186.362 179.953 -238.234 GPRESSURE: 4274200 -130.544 161.45 -224.001 76.5961 -363.276 163.217 -143.823 157.62 -240.546 PRESSAVG: 4274200 64.0609 8.33293 -28.1597 8.33294 -103.372 9.64836 -28.1597 9.64845 22.0158 GPRESSAVG: 4274200 64.1584 8.79413 -30.3102 5.92364 -101.998 9.1363 -24.7698 10.8369 20.6673 TIMING: 4274200 CPU: 12420.2, 0.0028912/step Wall: 12420.2, 0.0028912/step, 0.582897 hours remaining, 207.613281 MB of memory in use. ENERGY: 4274200 780.2110 2098.8706 1951.9301 102.0615 -206131.6169 17578.9070 0.0000 0.0000 34140.5889 -149479.0477 298.1583 -183619.6366 -149383.4267 298.5207 -276.1672 -244.7886 557037.7375 -5.7650 -5.7242 PRESSURE: 4274400 -424.695 14.6466 -2.13305 14.6465 -437.224 62.6156 -2.13379 62.6145 -489.139 GPRESSURE: 4274400 -388.14 13.8718 -28.4362 86.1269 -386.379 52.0309 74.9204 18.3415 -476.67 PRESSAVG: 4274400 -15.5676 40.164 12.6088 40.164 8.37038 0.569043 12.6087 0.56894 28.758 GPRESSAVG: 4274400 -16.6595 37.4406 12.8756 42.2925 7.06049 1.40905 12.8215 -0.316953 31.327 TIMING: 4274400 CPU: 12420.8, 0.00288597/step Wall: 12420.8, 0.00288597/step, 0.581683 hours remaining, 207.613281 MB of memory in use. ENERGY: 4274400 760.2289 2086.9227 1928.2054 114.3167 -205478.0443 17152.0127 0.0000 0.0000 34136.7415 -149299.6164 298.1247 -183436.3579 -149199.1429 299.2031 -450.3525 -417.0632 559921.9702 7.1869 7.2427 PRESSURE: 4274600 -236.135 1.35888 -47.8266 1.36004 -71.7281 122.235 -47.8266 122.235 -319.124 GPRESSURE: 4274600 -217.757 16.2719 -52.149 20.1903 -44.5193 125.662 -37.0369 50.6759 -274.449 PRESSAVG: 4274600 -16.4948 40.9995 2.90334 40.9995 36.9308 -4.94345 2.90342 -4.94335 -9.2324 GPRESSAVG: 4274600 -16.2422 43.7899 4.56796 37.9847 37.5672 -2.88933 1.59031 -4.97019 -10.6716 TIMING: 4274600 CPU: 12421.4, 0.00288781/step Wall: 12421.4, 0.00288781/step, 0.581894 hours remaining, 207.613281 MB of memory in use. ENERGY: 4274600 740.5966 2105.8604 1944.2197 105.4341 -206091.1695 17580.4435 0.0000 0.0000 34105.6635 -149508.9517 297.8532 -183614.6152 -149409.3653 298.2994 -208.9955 -178.9084 559101.6325 3.7346 3.5511 PRESSURE: 4274800 103.317 -43.2747 121.788 -43.2741 -52.0151 7.49006 121.787 7.48811 -34.0523 GPRESSURE: 4274800 99.7516 12.5421 122.747 -100.059 -10.1846 -38.2415 67.0985 66.0671 18.1995 PRESSAVG: 4274800 -58.4927 50.9261 23.6027 50.9261 4.42809 -18.2145 23.6027 -18.2145 36.3437 GPRESSAVG: 4274800 -58.7601 49.3061 24.9386 52.702 5.64045 -20.8734 22.4321 -16.5814 35.4209 TIMING: 4274800 CPU: 12421.9, 0.00288532/step Wall: 12421.9, 0.00288532/step, 0.581232 hours remaining, 207.613281 MB of memory in use. ENERGY: 4274800 732.0740 2077.2500 1989.4532 112.2375 -206506.2808 18044.0199 0.0000 0.0000 34076.1786 -149475.0676 297.5957 -183551.2462 -149379.2950 297.8583 5.7500 35.9222 558362.1811 -5.9070 -5.8996 PRESSURE: 4275000 174.387 43.5016 154.783 43.5018 258.731 -43.86 154.781 -43.8599 -37.0674 GPRESSURE: 4275000 171.275 38.885 100.042 0.430763 272.834 -67.06 139.898 -27.397 41.107 PRESSAVG: 4275000 12.4097 39.6345 -42.7332 39.6344 24.9384 -12.8021 -42.7333 -12.8023 3.42491 GPRESSAVG: 4275000 12.663 40.3062 -42.6049 40.7469 24.4777 -13.7142 -43.1936 -13.1435 3.46835 TIMING: 4275000 CPU: 12422.5, 0.00289121/step Wall: 12422.5, 0.00289121/step, 0.582258 hours remaining, 207.613281 MB of memory in use. ENERGY: 4275000 768.3879 2061.4006 1948.3084 114.6725 -206698.0360 18085.3705 0.0000 0.0000 34325.0879 -149394.8083 299.7695 -183719.8962 -149298.4874 298.9201 132.0169 161.7386 556104.1800 13.5910 13.5363 PRESSURE: 4275200 -126.075 -74.901 63.3222 -74.9012 138.366 -51.4157 63.3212 -51.417 -185.067 GPRESSURE: 4275200 -23.1082 -81.6456 35.228 -14.6215 147.552 56.3356 76.0335 -85.3439 -204.425 PRESSAVG: 4275200 -41.4248 -38.5895 -13.2565 -38.5895 -16.1998 21.5925 -13.2566 21.5924 62.1854 GPRESSAVG: 4275200 -41.4954 -38.333 -17.4711 -39.8074 -16.7208 24.6193 -8.75849 21.04 63.22 TIMING: 4275200 CPU: 12423.1, 0.00290002/step Wall: 12423.1, 0.00290002/step, 0.58387 hours remaining, 207.613281 MB of memory in use. ENERGY: 4275200 799.1575 2098.1190 1958.3666 106.7885 -206543.6522 17822.1679 0.0000 0.0000 34520.7281 -149238.3245 301.4781 -183759.0526 -149139.4435 299.3858 -57.5920 -26.6604 555783.7093 1.5202 1.6680 PRESSURE: 4275400 -222.781 -0.684294 -150.753 -0.685461 -63.3166 32.3211 -150.753 32.3208 -146.522 GPRESSURE: 4275400 -132.655 28.5871 -125.115 -14.5134 -87.7002 54.4476 -202.646 41.6837 -126.906 PRESSAVG: 4275400 20.338 -22.7475 23.3045 -22.7475 -54.7642 -16.3617 23.3046 -16.3616 29.5266 GPRESSAVG: 4275400 19.8565 -22.9934 24.336 -21.0711 -54.6082 -20.6267 22.3387 -14.7765 29.8684 TIMING: 4275400 CPU: 12423.7, 0.00288599/step Wall: 12423.7, 0.00288599/step, 0.580886 hours remaining, 207.613281 MB of memory in use. ENERGY: 4275400 796.5345 2146.7955 1945.8191 102.4044 -206123.5900 17573.4501 0.0000 0.0000 34224.7535 -149333.8329 298.8933 -183558.5864 -149240.6364 299.4196 -144.2066 -115.7538 555831.9780 -1.6332 -1.6278 PRESSURE: 4275600 -256.033 -170.19 -117.032 -170.191 147.562 -107.68 -117.034 -107.679 111.098 GPRESSURE: 4275600 -185.816 -173.658 -98.2298 -149.102 180.274 -189.532 -96.9605 -3.39407 106.056 PRESSAVG: 4275600 56.4209 -53.5782 26.5619 -53.5782 -1.57246 -28.4493 26.5619 -28.4494 -38.5127 GPRESSAVG: 4275600 56.9376 -52.7185 27.5265 -56.1096 -2.58723 -25.3075 25.9412 -28.735 -38.539 TIMING: 4275600 CPU: 12424.2, 0.00287642/step Wall: 12424.2, 0.00287642/step, 0.578799 hours remaining, 207.613281 MB of memory in use. ENERGY: 4275600 785.7440 2106.3969 1948.2306 104.0960 -206346.6341 17796.5496 0.0000 0.0000 34418.3875 -149187.2295 300.5843 -183605.6170 -149087.8283 299.0802 0.8755 33.5048 556447.4216 5.4453 5.2705 PRESSURE: 4275800 -30.431 -1.90643 -92.6169 -1.90833 -133.979 -45.1457 -92.6169 -45.1473 -259.756 GPRESSURE: 4275800 12.7688 132.93 -54.5129 -33.4272 -124.852 -53.2638 -58.6237 -64.5504 -199.263 PRESSAVG: 4275800 27.01 30.7791 12.3376 30.7791 44.7513 -11.0266 12.3376 -11.0267 -88.2916 GPRESSAVG: 4275800 27.0262 31.2745 12.0682 32.7663 46.2043 -8.61117 11.5779 -13.0649 -89.1218 TIMING: 4275800 CPU: 12424.8, 0.00288643/step Wall: 12424.8, 0.00288643/step, 0.580653 hours remaining, 207.613281 MB of memory in use. ENERGY: 4275800 749.7591 2091.5156 1972.0925 107.8912 -205766.5021 17571.9921 0.0000 0.0000 34134.4535 -149138.7981 298.1047 -183273.2516 -149039.6303 299.8065 -141.3885 -103.7821 558451.2346 -5.5101 -5.2971 PRESSURE: 4276000 65.1749 291.575 -37.3455 291.577 259.424 34.2538 -37.3459 34.2526 -150.335 GPRESSURE: 4276000 72.7312 238.201 -44.387 313.298 296.003 51.6365 13.0089 62.9252 -105.258 PRESSAVG: 4276000 -28.292 6.38946 -33.6133 6.38949 54.7666 -17.7773 -33.6133 -17.7774 -29.6831 GPRESSAVG: 4276000 -28.4 6.10365 -35.8088 3.82444 55.2193 -18.8988 -31.1831 -16.2498 -29.8993 TIMING: 4276000 CPU: 12425.4, 0.00287649/step Wall: 12425.4, 0.00287649/step, 0.578494 hours remaining, 207.613281 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: 4276000 769.8809 2057.8768 1930.1197 97.6812 -206539.8011 18029.1295 0.0000 0.0000 34379.2202 -149275.8928 300.2423 -183655.1131 -149181.1777 298.7661 58.0880 87.8251 557408.8517 -1.0695 -1.0267 PRESSURE: 4276200 73.6303 -45.3249 -50.583 -45.3235 91.6403 -136.772 -50.5831 -136.773 -180.599 GPRESSURE: 4276200 117.64 -79.2096 70.955 -16.7968 99.5328 -83.4934 -54.0133 -179.879 -124.028 PRESSAVG: 4276200 79.259 11.8385 46.6339 11.8386 52.0324 11.4216 46.6338 11.4215 -97.7407 GPRESSAVG: 4276200 80.0205 9.29605 50.5387 15.7003 50.657 10.2209 44.7739 8.6526 -97.2918 TIMING: 4276200 CPU: 12426, 0.00288022/step Wall: 12426, 0.00288022/step, 0.579085 hours remaining, 207.613281 MB of memory in use. ENERGY: 4276200 762.4914 2127.2564 1931.8585 111.7129 -206667.0423 18095.6089 0.0000 0.0000 34302.0872 -149336.0269 299.5687 -183638.1141 -149246.0319 298.7756 -5.1095 31.0484 559178.7496 11.1836 11.1286 LDB: ============= START OF LOAD BALANCING ============== 12429.4 LDB: ============== END OF LOAD BALANCING =============== 12429.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12429.4 LDB: ============= START OF LOAD BALANCING ============== 12429.7 LDB: Largest compute 4848 load 0.025701 is 21.8% of average load 0.117769 LDB: Average compute 0.001739 is 1.5% of average load 0.117769 LDB: TIME 12429.7 LOAD: AVG 0.117769 MAX 0.179319 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.172 MB LDB: TIME 12429.7 LOAD: AVG 0.117769 MAX 0.179319 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: TIME 12429.7 LOAD: AVG 0.117769 MAX 0.179319 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12429.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12429.7 PRESSURE: 4276400 150.106 -45.5111 -168.631 -45.5091 -502.025 117.445 -168.63 117.445 -37.9986 GPRESSURE: 4276400 135.57 -164.23 -176.35 15.5799 -378.593 142.951 -114.338 72.7103 -55.3717 PRESSAVG: 4276400 6.30587 -43.4856 41.1423 -43.4856 -23.7018 -12.7533 41.1424 -12.7532 13.018 GPRESSAVG: 4276400 6.88552 -41.5127 38.5638 -44.5673 -23.006 -13.4778 41.9567 -9.56088 11.6809 TIMING: 4276400 CPU: 12426.6, 0.00296309/step Wall: 12426.6, 0.00296309/step, 0.595581 hours remaining, 207.414062 MB of memory in use. ENERGY: 4276400 743.1175 2053.2721 1955.3005 123.0497 -205871.9384 17723.9994 0.0000 0.0000 33976.9702 -149296.2289 296.7293 -183273.1992 -149198.8405 298.4463 -129.9724 -99.4649 558222.8992 -1.4593 -1.4799 PRESSURE: 4276600 -372.712 192.28 -91.6013 192.28 16.0407 67.468 -91.6026 67.4663 -119.646 GPRESSURE: 4276600 -329.108 107.014 -139.632 242.435 23.6687 -8.19989 -72.7648 106.291 -79.3885 PRESSAVG: 4276600 29.643 -3.4356 30.9179 -3.43568 10.3046 8.40443 30.918 8.40445 -33.1512 GPRESSAVG: 4276600 28.9625 -3.84962 31.7246 -3.52031 10.102 9.26906 28.973 7.09971 -33.0923 TIMING: 4276600 CPU: 12427.1, 0.00288883/step Wall: 12427.1, 0.00288883/step, 0.580495 hours remaining, 207.484375 MB of memory in use. ENERGY: 4276600 777.2246 2104.9350 1953.3559 104.0035 -206029.9771 17911.8310 0.0000 0.0000 34130.4812 -149048.1458 298.0700 -183178.6270 -148959.5886 298.7350 -158.7723 -128.2759 559780.9021 2.2655 1.9907 PRESSURE: 4276800 -138.902 -16.5299 42.1057 -16.5293 -127.79 3.69993 42.1071 3.69917 -388.65 GPRESSURE: 4276800 -142.824 -62.4093 19.4925 -26.772 -59.9642 -73.0395 105.586 83.1511 -335.411 PRESSAVG: 4276800 43.3977 59.172 22.4969 59.1721 63.1498 -28.052 22.4968 -28.052 -98.338 GPRESSAVG: 4276800 42.5249 59.7261 20.7443 58.5156 62.2904 -29.3441 23.4502 -28.1503 -97.1573 TIMING: 4276800 CPU: 12427.7, 0.0028981/step Wall: 12427.7, 0.00289811/step, 0.582197 hours remaining, 207.484375 MB of memory in use. ENERGY: 4276800 710.2001 2072.7744 1956.0778 111.0644 -205825.9698 17563.7355 0.0000 0.0000 34357.3758 -149054.7418 300.0515 -183412.1177 -148955.8188 299.5453 -218.4476 -179.3999 559541.8562 2.7365 2.5527 PRESSURE: 4277000 216.084 29.6663 -57.2139 29.6667 90.0914 46.0733 -57.2143 46.0729 -10.4503 GPRESSURE: 4277000 208.459 11.1703 -22.7304 23.7124 146.138 49.7631 -60.7335 17.845 38.5724 PRESSAVG: 4277000 64.9474 9.15571 20.4691 9.15578 15.458 -15.3467 20.4691 -15.3467 -27.346 GPRESSAVG: 4277000 65.3542 9.25298 19.9126 8.18289 15.1514 -12.0457 21.3755 -17.3828 -27.3526 TIMING: 4277000 CPU: 12428.3, 0.00289069/step Wall: 12428.3, 0.00289069/step, 0.580547 hours remaining, 207.484375 MB of memory in use. ENERGY: 4277000 756.3761 2072.8727 1967.0007 120.2917 -206406.5592 18079.9160 0.0000 0.0000 34049.7682 -149360.3338 297.3651 -183410.1020 -149262.6606 299.6415 98.5751 131.0566 557514.7245 17.6865 17.7176 PRESSURE: 4277200 -118.547 -32.7533 82.178 -32.7525 -224.645 91.9747 82.1771 91.9739 -183.713 GPRESSURE: 4277200 -119.039 63.1955 79.6222 -75.1707 -162.054 99.8741 91.3334 50.3709 -171.813 PRESSAVG: 4277200 75.2066 39.7492 46.6325 39.7492 -25.5378 -5.13923 46.6326 -5.13914 -66.328 GPRESSAVG: 4277200 74.9573 38.6801 45.0616 39.2584 -24.5713 -8.40491 48.2208 -3.3105 -67.1863 TIMING: 4277200 CPU: 12428.9, 0.00289532/step Wall: 12428.9, 0.00289532/step, 0.581317 hours remaining, 207.484375 MB of memory in use. ENERGY: 4277200 725.7261 2119.2702 1921.0628 114.1105 -206013.2746 17542.0432 0.0000 0.0000 34061.2999 -149529.7619 297.4658 -183591.0618 -149437.2477 298.5355 -175.6352 -150.9687 558319.9823 -5.5531 -5.6001 PRESSURE: 4277400 -160.031 163.955 9.42323 163.955 244.407 -61.1544 9.4226 -61.1547 -137.538 GPRESSURE: 4277400 -188.489 81.3394 16.8657 273.505 270.791 -19.0952 17.8038 -61.3732 -47.3461 PRESSAVG: 4277400 -34.9926 -26.6813 -7.81794 -26.6813 39.698 4.33071 -7.81802 4.33066 -24.8639 GPRESSAVG: 4277400 -34.6943 -24.5671 -4.49883 -26.2831 38.4548 5.58262 -10.154 5.16223 -24.1861 TIMING: 4277400 CPU: 12429.5, 0.0028663/step Wall: 12429.5, 0.0028663/step, 0.57533 hours remaining, 207.484375 MB of memory in use. ENERGY: 4277400 720.0971 2050.2561 1940.7162 122.3182 -206290.0313 17806.7958 0.0000 0.0000 34415.8080 -149234.0399 300.5618 -183649.8479 -149140.6486 298.6370 -17.7205 11.6522 559295.6429 -6.7195 -6.8086 PRESSURE: 4277600 -102.321 -130.344 24.5009 -130.344 88.0104 -71.3596 24.5015 -71.3589 -23.0356 GPRESSURE: 4277600 -36.6739 -112.303 64.1044 -6.15537 61.6541 -25.5376 9.55608 -102.035 37.3543 PRESSAVG: 4277600 50.6756 26.8082 -53.2802 26.8082 -43.9459 15.4082 -53.2802 15.4081 2.94017 GPRESSAVG: 4277600 50.5613 26.1946 -54.5053 26.68 -42.8596 14.9017 -52.8082 13.7133 2.05985 TIMING: 4277600 CPU: 12430, 0.00287879/step Wall: 12430, 0.00287879/step, 0.577678 hours remaining, 207.484375 MB of memory in use. ENERGY: 4277600 748.1572 2145.3772 1958.1887 121.2810 -206293.2170 17961.8061 0.0000 0.0000 34145.5992 -149212.8077 298.2020 -183358.4069 -149124.3593 298.7653 -12.4489 20.7782 559835.1158 3.2233 3.2539 PRESSURE: 4277800 -34.5507 115.361 140.485 115.362 412.739 88.0809 140.485 88.0796 -111.886 GPRESSURE: 4277800 19.582 140.188 131.567 141.946 425.675 42.8568 86.233 132.847 -77.5107 PRESSAVG: 4277800 17.885 -11.4698 24.5536 -11.4697 83.5784 38.7479 24.5536 38.7479 -88.9308 GPRESSAVG: 4277800 18.1484 -11.0048 25.0649 -9.2521 82.8366 40.0871 24.3742 38.1577 -89.1599 TIMING: 4277800 CPU: 12430.6, 0.00288053/step Wall: 12430.6, 0.00288053/step, 0.577866 hours remaining, 207.484375 MB of memory in use. ENERGY: 4277800 716.3621 2095.8627 1922.5992 113.5763 -206553.0944 18033.9060 0.0000 0.0000 34341.9035 -149328.8847 299.9164 -183670.7882 -149233.4013 299.0230 88.7675 122.5821 558222.5217 4.1775 3.9417 PRESSURE: 4278000 -201.525 168.84 -2.6484 168.841 -26.6197 -51.4265 -2.64772 -51.4273 -467.341 GPRESSURE: 4278000 -204.988 146.862 -8.3808 178.876 -31.0078 -88.7512 -11.6069 17.2748 -357.32 PRESSAVG: 4278000 26.6624 55.6886 26.539 55.6887 19.7144 -5.1322 26.5389 -5.13218 -51.2444 GPRESSAVG: 4278000 26.1599 53.4348 24.9136 54.5155 20.6456 -7.50291 26.7594 -3.03036 -51.2118 TIMING: 4278000 CPU: 12431.2, 0.0028858/step Wall: 12431.2, 0.0028858/step, 0.578764 hours remaining, 207.484375 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: 4278000 786.4077 2039.7777 1972.1647 105.9660 -205818.1638 17607.7098 0.0000 0.0000 34008.6114 -149297.5265 297.0057 -183306.1379 -149204.8286 297.9115 -231.8287 -197.7719 558828.1148 -1.6225 -1.4688 PRESSURE: 4278200 -134.87 -66.7755 -38.9395 -66.7753 -181.683 189.656 -38.9381 189.655 73.6823 GPRESSURE: 4278200 -94.6268 -115.173 -36.9877 -5.64762 -121.092 156.517 -24.412 153.874 75.7603 PRESSAVG: 4278200 12.4045 -9.04233 36.3593 -9.04233 -48.1525 -9.09871 36.3593 -9.09885 11.3414 GPRESSAVG: 4278200 13.2414 -8.04418 35.3575 -8.43847 -48.9803 -8.58771 37.6402 -9.96072 11.5514 TIMING: 4278200 CPU: 12431.8, 0.00288009/step Wall: 12431.8, 0.00288009/step, 0.577458 hours remaining, 207.484375 MB of memory in use. ENERGY: 4278200 758.2461 2043.9635 1962.0026 129.8768 -206062.3684 17802.1733 0.0000 0.0000 34215.5542 -149150.5518 298.8129 -183366.1061 -149060.6102 298.2313 -80.9569 -46.6528 558800.5925 -8.1355 -8.0625 PRESSURE: 4278400 -192.687 -15.2679 -83.9491 -15.2687 10.5478 128.855 -83.9485 128.856 -261.419 GPRESSURE: 4278400 -160.854 26.2088 -97.71 -34.6276 69.7682 64.2462 -8.4611 182.618 -253.798 PRESSAVG: 4278400 -8.07371 33.3327 -21.8274 33.3326 17.5965 33.9897 -21.8275 33.9897 37.3774 GPRESSAVG: 4278400 -8.57832 33.8388 -19.1516 33.2209 18.2983 36.2358 -21.4195 32.3342 37.855 TIMING: 4278400 CPU: 12432.3, 0.00289681/step Wall: 12432.3, 0.00289681/step, 0.580649 hours remaining, 207.484375 MB of memory in use. ENERGY: 4278400 699.5030 2086.9015 1932.0930 99.5014 -206101.4687 17713.4550 0.0000 0.0000 34250.1974 -149319.8174 299.1155 -183570.0148 -149220.0918 298.8219 -147.8527 -114.9612 560459.2893 15.6334 15.8583 PRESSURE: 4278600 167.326 -175.531 107.333 -175.531 -19.2447 118.589 107.335 118.588 27.2315 GPRESSURE: 4278600 104.246 -142.162 85.0577 -139.081 48.4571 106.52 110.431 144.294 118.001 PRESSAVG: 4278600 -21.0311 -16.9509 31.2656 -16.9509 31.2691 30.1236 31.2655 30.1235 -21.2143 GPRESSAVG: 4278600 -21.2395 -16.0957 29.1772 -16.837 30.7442 28.3559 32.7593 31.4461 -20.5429 TIMING: 4278600 CPU: 12432.9, 0.00288062/step Wall: 12432.9, 0.00288062/step, 0.577245 hours remaining, 207.484375 MB of memory in use. ENERGY: 4278600 725.1479 2043.6537 1935.1345 111.5888 -206166.9131 17935.9305 0.0000 0.0000 34321.8891 -149093.5685 299.7416 -183415.4577 -149000.6891 299.1014 58.4375 90.2347 557743.5061 -3.6588 -3.6794 PRESSURE: 4278800 -238.814 -34.2906 35.1345 -34.2912 -182.841 73.6698 35.1347 73.6699 -40.9133 GPRESSURE: 4278800 -179.712 34.8266 -38.9807 -42.4437 -179.293 7.6656 95.6543 28.0045 -7.58801 PRESSAVG: 4278800 10.3311 27.1051 8.46476 27.1052 9.66209 41.4239 8.46483 41.4239 23.9153 GPRESSAVG: 4278800 10.6921 24.5064 9.84391 27.791 9.75946 42.1711 8.08855 40.4472 23.261 TIMING: 4278800 CPU: 12433.5, 0.00288589/step Wall: 12433.5, 0.00288589/step, 0.578139 hours remaining, 207.687500 MB of memory in use. ENERGY: 4278800 746.0321 2033.3571 1949.9730 102.3646 -205524.8319 17513.9120 0.0000 0.0000 34032.5721 -149146.6211 297.2149 -183179.1932 -149049.3886 298.9236 -154.1894 -122.1977 558867.0528 14.6362 14.5708 PRESSURE: 4279000 -149.978 6.07021 -28.3859 6.07137 117.297 183.223 -28.3864 183.222 -152.167 GPRESSURE: 4279000 -62.6575 94.7948 -3.35089 6.13996 135.735 170.573 -145.445 190.096 -163.722 PRESSAVG: 4279000 33.6752 -31.7949 25.175 -31.7949 23.6381 107.87 25.175 107.87 -23.1913 GPRESSAVG: 4279000 34.8223 -31.6308 24.5613 -32.2547 22.4399 106.673 23.9774 111.122 -23.7948 TIMING: 4279000 CPU: 12434.1, 0.00289668/step Wall: 12434.1, 0.00289668/step, 0.58014 hours remaining, 207.687500 MB of memory in use. ENERGY: 4279000 740.4712 2009.0809 1955.3277 108.1350 -206120.3713 17738.7694 0.0000 0.0000 34455.7371 -149112.8500 300.9105 -183568.5871 -149022.6606 298.4110 -61.6157 -30.2149 557276.6030 11.3740 11.1558 PRESSURE: 4279200 -32.6191 -10.9769 293.604 -10.9779 5.12604 -34.5227 293.604 -34.521 171.938 GPRESSURE: 4279200 4.51325 -24.17 257.204 -23.128 66.4092 -22.8686 262.142 33.7204 170.453 PRESSAVG: 4279200 22.6236 -10.9189 78.0342 -10.9189 -16.3577 45.3203 78.0342 45.3203 28.2596 GPRESSAVG: 4279200 22.2094 -9.79275 78.7824 -10.8551 -15.0196 46.775 77.6882 44.6876 27.4195 TIMING: 4279200 CPU: 12434.6, 0.00289177/step Wall: 12434.6, 0.00289177/step, 0.578997 hours remaining, 207.687500 MB of memory in use. ENERGY: 4279200 735.3763 2079.6866 1943.4579 125.4118 -206117.9873 17982.2001 0.0000 0.0000 34128.6341 -149123.2206 298.0538 -183251.8546 -149025.9314 299.2902 48.1485 80.4584 558437.0862 11.5085 11.5365 PRESSURE: 4279400 -203.019 95.3655 48.6663 95.3645 -335.252 35.7068 48.6668 35.7066 -110.92 GPRESSURE: 4279400 -195.018 66.1723 -49.354 170.608 -265.12 5.43964 64.0642 106.808 -96.413 PRESSAVG: 4279400 16.5469 -38.8333 16.3309 -38.8334 -39.3553 12.6305 16.331 12.6304 -20.7214 GPRESSAVG: 4279400 18.2546 -39.3723 17.5113 -39.3 -40.4647 13.8626 13.857 10.8247 -21.4993 TIMING: 4279400 CPU: 12435.2, 0.00289002/step Wall: 12435.2, 0.00289002/step, 0.578485 hours remaining, 207.687500 MB of memory in use. ENERGY: 4279400 766.7135 2044.7777 1927.9665 110.8633 -205585.7947 17397.3312 0.0000 0.0000 34148.5221 -149189.6203 298.2275 -183338.1424 -149099.7420 299.2044 -216.3971 -185.5168 557814.5793 -14.5099 -14.5698 PRESSURE: 4279600 -313.999 -14.3527 -99.4519 -14.3533 71.8204 53.9093 -99.4528 53.9087 348.603 GPRESSURE: 4279600 -294.235 -32.5351 -88.1011 64.4707 100.256 33.3143 -70.4691 79.5957 389.558 PRESSAVG: 4279600 -18.8612 30.233 32.3281 30.233 -37.2768 -2.88951 32.3282 -2.88954 48.1793 GPRESSAVG: 4279600 -20.8141 29.2357 31.0838 30.8124 -36.8332 -3.87714 34.6425 -2.0381 50.0377 TIMING: 4279600 CPU: 12435.8, 0.0028882/step Wall: 12435.8, 0.0028882/step, 0.577961 hours remaining, 207.687500 MB of memory in use. ENERGY: 4279600 785.4600 2068.6078 1950.4244 110.5605 -206111.9315 17850.9683 0.0000 0.0000 34256.8610 -149089.0495 299.1737 -183345.9105 -148993.1745 299.5955 35.4748 65.1932 556755.6228 -2.6529 -2.5365 PRESSURE: 4279800 -470.871 -26.8768 33.8854 -26.8759 -321.809 -132.276 33.8855 -132.276 -226.657 GPRESSURE: 4279800 -463.383 7.2579 95.8377 -59.3392 -294.35 -76.3278 -42.3065 -149.861 -171.8 PRESSAVG: 4279800 -49.253 79.0925 58.2463 79.0925 -16.88 -18.8013 58.2463 -18.8013 70.1958 GPRESSAVG: 4279800 -49.9561 78.9797 57.3773 78.8177 -16.7602 -20.8151 57.5983 -17.2775 69.9891 TIMING: 4279800 CPU: 12436.4, 0.0028996/step Wall: 12436.4, 0.0028996/step, 0.58008 hours remaining, 207.687500 MB of memory in use. ENERGY: 4279800 761.3919 2085.4203 1974.5241 114.5691 -205603.1457 17242.1155 0.0000 0.0000 34268.9340 -149156.1909 299.2791 -183425.1249 -149058.7689 299.6235 -339.7793 -309.8445 558037.1604 1.3543 1.0909 PRESSURE: 4280000 -56.5798 57.9804 -29.0971 57.9811 -41.7595 -4.31284 -29.0966 -4.31195 -10.2705 GPRESSURE: 4280000 -81.9897 -61.6653 -42.3071 43.4803 -34.4747 41.758 -7.30813 34.4108 102.858 PRESSAVG: 4280000 -36.8877 16.3687 -17.9621 16.3687 -30.4975 -22.9561 -17.962 -22.9559 38.5888 GPRESSAVG: 4280000 -36.6675 16.2927 -18.1656 16.6432 -30.4794 -21.2351 -17.9219 -22.9864 38.6934 TIMING: 4280000 CPU: 12437, 0.00290192/step Wall: 12437, 0.00290192/step, 0.580383 hours remaining, 207.687500 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: 4280000 763.7232 2040.3393 1961.4783 104.6294 -206067.3576 17809.1393 0.0000 0.0000 34330.3294 -149057.7186 299.8153 -183388.0480 -148961.2569 299.4310 -36.2032 -4.5354 556397.8811 -9.5988 -9.4845 PRESSURE: 4280200 -271.51 -59.3203 161.654 -59.3212 -159.297 -26.5184 161.655 -26.5193 -206.879 GPRESSURE: 4280200 -221.749 -86.3222 95.3333 -57.0574 -152.188 -75.9512 167.081 43.0199 -176.483 PRESSAVG: 4280200 -45.9176 38.8723 -2.60438 38.8722 6.59616 -35.1138 -2.60438 -35.1137 33.6589 GPRESSAVG: 4280200 -45.177 40.1252 -1.37172 36.4705 6.94322 -33.6216 -3.8706 -35.4612 32.7584 TIMING: 4280200 CPU: 12437.5, 0.00289839/step Wall: 12437.5, 0.00289839/step, 0.579518 hours remaining, 207.687500 MB of memory in use. ENERGY: 4280200 772.6110 2109.0623 1949.7024 121.6190 -205941.8052 17562.4766 0.0000 0.0000 34307.9090 -149118.4248 299.6195 -183426.3338 -149021.8189 299.2060 -212.5619 -183.4737 557405.0040 -1.8875 -1.8251 LDB: ============= START OF LOAD BALANCING ============== 12441 LDB: ============== END OF LOAD BALANCING =============== 12441 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12441 LDB: ============= START OF LOAD BALANCING ============== 12441.3 LDB: Largest compute 4848 load 0.027522 is 23.4% of average load 0.117761 LDB: Average compute 0.001741 is 1.5% of average load 0.117761 LDB: TIME 12441.3 LOAD: AVG 0.117761 MAX 0.177727 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 12441.3 LOAD: AVG 0.117761 MAX 0.177727 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 12441.3 LOAD: AVG 0.117761 MAX 0.177727 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12441.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12441.3 PRESSURE: 4280400 76.7086 22.5108 117.583 22.5105 49.6185 -41.0935 117.584 -41.0939 176.448 GPRESSURE: 4280400 149.015 -46.5115 106.204 89.9382 102.282 -55.001 119.981 42.1853 161.921 PRESSAVG: 4280400 -24.2296 -19.915 -11.9865 -19.9151 -36.8566 -10.6052 -11.9866 -10.6053 36.8305 GPRESSAVG: 4280400 -24.2941 -22.0171 -13.7752 -17.5142 -37.9184 -11.8751 -10.9049 -9.48889 37.9743 TIMING: 4280400 CPU: 12438.1, 0.00296351/step Wall: 12438.1, 0.00296351/step, 0.592373 hours remaining, 207.664062 MB of memory in use. ENERGY: 4280400 770.7815 2048.7518 1952.8268 113.8360 -206470.3121 18010.9878 0.0000 0.0000 34445.0196 -149128.1086 300.8169 -183573.1282 -149032.3120 299.4286 100.9252 137.7390 555670.8736 -8.0853 -8.0794 PRESSURE: 4280600 31.113 41.2521 -46.5106 41.2531 74.2083 33.0597 -46.5099 33.0591 2.16216 GPRESSURE: 4280600 68.6838 123.274 -141.735 81.8397 80.1634 21.1488 -32.5098 -18.413 45.9052 PRESSAVG: 4280600 -24.3223 -7.79287 -28.3369 -7.79281 -31.8023 -5.77256 -28.3369 -5.77245 37.1954 GPRESSAVG: 4280600 -23.9882 -6.51473 -28.5587 -6.47598 -31.494 -8.22902 -27.9379 -4.6781 36.557 TIMING: 4280600 CPU: 12438.7, 0.00289412/step Wall: 12438.7, 0.00289412/step, 0.578341 hours remaining, 207.867188 MB of memory in use. ENERGY: 4280600 778.6133 2048.8072 1966.2274 120.1313 -206129.9558 17836.7436 0.0000 0.0000 34246.6515 -149132.7816 299.0845 -183379.4331 -149038.0689 299.1884 35.8278 64.9175 557030.0039 -6.3097 -6.3084 PRESSURE: 4280800 -216.56 43.5784 77.0005 43.5777 -203.814 56.7012 77.0003 56.7025 115.619 GPRESSURE: 4280800 -186.575 -13.3143 51.97 22.0691 -149.22 47.6681 54.014 46.2457 121.897 PRESSAVG: 4280800 21.8315 -11.1008 27.5404 -11.1007 -19.9701 49.9159 27.5404 49.9159 -3.92791 GPRESSAVG: 4280800 21.1589 -9.79598 26.4393 -13.0859 -18.677 54.4997 28.0887 46.7749 -4.35721 TIMING: 4280800 CPU: 12439.3, 0.00289322/step Wall: 12439.3, 0.00289322/step, 0.578001 hours remaining, 207.867188 MB of memory in use. ENERGY: 4280800 734.4284 2137.2772 1934.7902 124.7998 -205916.9578 17514.9079 0.0000 0.0000 34444.4801 -149026.2741 300.8122 -183470.7542 -148928.0107 299.2389 -101.5850 -71.2995 556881.8384 -0.6888 -0.6251 PRESSURE: 4281000 -187.71 -58.3177 32.7933 -58.319 -81.4943 124.566 32.7933 124.566 63.3006 GPRESSURE: 4281000 -158.798 -48.8834 23.965 -136.239 -110.812 78.0772 -63.5642 90.0792 157.707 PRESSAVG: 4281000 -7.51193 -9.84756 -13.5244 -9.84755 -9.90943 3.62954 -13.5244 3.62948 8.72894 GPRESSAVG: 4281000 -6.05217 -11.0612 -11.017 -8.04012 -11.6959 0.479583 -13.8169 3.7154 9.0184 TIMING: 4281000 CPU: 12439.9, 0.0028913/step Wall: 12439.9, 0.0028913/step, 0.577457 hours remaining, 208.070312 MB of memory in use. ENERGY: 4281000 741.4203 2104.2906 1940.9264 113.7771 -206061.8690 17744.4069 0.0000 0.0000 34228.5129 -149188.5347 298.9261 -183417.0476 -149093.4799 299.1627 -68.6347 -37.3008 556322.3283 -2.8975 -2.9099 PRESSURE: 4281200 -160.905 -142.159 153.138 -142.159 -56.1626 -71.0289 153.138 -71.029 5.93289 GPRESSURE: 4281200 -174.39 -105.734 197.286 -139.545 -2.72294 -104.448 163.931 -182.241 62.1497 PRESSAVG: 4281200 1.88758 -18.1541 6.13923 -18.1541 -13.1973 21.564 6.13919 21.5641 19.908 GPRESSAVG: 4281200 0.395215 -16.6688 7.56025 -19.0948 -11.9415 22.7317 5.8492 20.2158 19.9387 TIMING: 4281200 CPU: 12440.4, 0.00287927/step Wall: 12440.4, 0.00287927/step, 0.574895 hours remaining, 208.070312 MB of memory in use. ENERGY: 4281200 772.1291 2140.8024 1959.8778 116.1249 -206226.6704 17723.3607 0.0000 0.0000 34306.7700 -149207.6057 299.6096 -183514.3756 -149116.7105 298.3734 -70.3784 -38.3209 555652.5538 2.8661 2.7975 PRESSURE: 4281400 -29.9729 24.9085 198.655 24.909 69.3742 -52.5525 198.654 -52.5513 -233.524 GPRESSURE: 4281400 -53.5637 -107.125 170.132 104.921 145.234 76.6507 165.603 -121.39 -185.979 PRESSAVG: 4281400 11.9793 -15.3265 36.4388 -15.3265 -18.301 -18.5701 36.4388 -18.5701 11.8931 GPRESSAVG: 4281400 13.3861 -16.6684 34.4699 -16.1261 -19.9355 -18.218 39.0458 -14.8031 11.7033 TIMING: 4281400 CPU: 12441, 0.00289118/step Wall: 12441, 0.00289118/step, 0.577112 hours remaining, 208.070312 MB of memory in use. ENERGY: 4281400 734.2924 2059.2165 1974.1406 123.4888 -206016.1632 17720.8221 0.0000 0.0000 34254.7031 -149149.4998 299.1548 -183404.2028 -149061.1260 299.2019 -64.7075 -31.4364 557032.3223 1.8571 1.7180 PRESSURE: 4281600 -76.3144 -49.9016 202.167 -49.9024 -355.046 8.82634 202.168 8.82777 -94.6995 GPRESSURE: 4281600 -27.5872 -91.3959 278.024 -42.1837 -379.881 111.475 89.3996 -8.71633 -24.0999 PRESSAVG: 4281600 26.9945 -15.735 5.88802 -15.7351 -51.9672 4.48438 5.88809 4.48425 12.2082 GPRESSAVG: 4281600 26.428 -17.4404 4.80932 -13.6414 -51.335 5.0818 5.75507 2.04695 12.1009 TIMING: 4281600 CPU: 12441.6, 0.00288367/step Wall: 12441.6, 0.00288367/step, 0.575452 hours remaining, 208.070312 MB of memory in use. ENERGY: 4281600 779.9576 2100.8195 1970.5228 114.6550 -205596.2294 17380.2208 0.0000 0.0000 34136.4929 -149113.5609 298.1225 -183250.0538 -149015.9943 299.4620 -175.3533 -143.8561 556866.6575 -4.2549 -4.2687 PRESSURE: 4281800 -3.65841 71.9549 86.801 71.9554 -352.846 -5.30118 86.8012 -5.30151 26.4026 GPRESSURE: 4281800 18.498 89.3728 72.3937 86.0948 -292.559 -7.94129 148.046 -40.9527 50.3582 PRESSAVG: 4281800 20.2002 53.0642 -58.1493 53.0641 -20.3439 -10.1482 -58.1493 -10.1483 24.0556 GPRESSAVG: 4281800 19.9823 55.1319 -57.9244 52.354 -19.8777 -11.7372 -58.8047 -7.61875 23.3893 TIMING: 4281800 CPU: 12442.2, 0.00287865/step Wall: 12442.2, 0.00287865/step, 0.574291 hours remaining, 208.070312 MB of memory in use. ENERGY: 4281800 785.1592 2103.3136 1966.9364 117.9194 -206398.2525 17651.7337 0.0000 0.0000 34464.9434 -149308.2468 300.9909 -183773.1903 -149215.0144 299.4722 -110.0339 -74.5676 556217.3824 7.9706 7.8313 PRESSURE: 4282000 265.096 89.6912 27.6936 89.691 214.309 30.2726 27.6926 30.273 111.243 GPRESSURE: 4282000 291.68 74.6289 103.891 109.19 249.741 48.098 -0.86948 62.2739 147.087 PRESSAVG: 4282000 8.99448 53.588 19.6028 53.5881 -12.1794 -6.90608 19.6028 -6.90611 -39.9979 GPRESSAVG: 4282000 9.10772 54.3291 19.2775 51.7881 -11.6088 -9.06903 20.6026 -9.10013 -39.829 TIMING: 4282000 CPU: 12442.8, 0.00286898/step Wall: 12442.8, 0.00286898/step, 0.572202 hours remaining, 208.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4282000 750.3090 2078.3976 1954.9071 123.2272 -206558.5273 18127.3095 0.0000 0.0000 34196.4084 -149327.9685 298.6457 -183524.3769 -149229.9298 298.6543 196.8824 229.5025 556066.0020 -14.3943 -14.1100 PRESSURE: 4282200 -121.038 -151.231 265.339 -151.23 -18.0576 48.8284 265.339 48.8293 -392.55 GPRESSURE: 4282200 -59.5886 -119.151 165.787 -165.136 -33.8256 29.9954 324.507 104.342 -348.836 PRESSAVG: 4282200 77.2943 -14.9374 -4.77069 -14.9375 -12.7534 -89.6169 -4.77065 -89.6168 -67.5721 GPRESSAVG: 4282200 77.3038 -14.3787 -4.41947 -14.6874 -13.235 -88.2316 -6.34841 -88.3907 -66.8833 TIMING: 4282200 CPU: 12443.3, 0.00290335/step Wall: 12443.3, 0.00290335/step, 0.578897 hours remaining, 208.070312 MB of memory in use. ENERGY: 4282200 751.0434 2091.9224 1970.8046 100.1928 -206128.7395 17800.3384 0.0000 0.0000 33999.8738 -149414.5641 296.9294 -183414.4380 -149315.6354 298.7040 -177.2149 -147.4167 558925.2771 -1.0104 -0.9382 PRESSURE: 4282400 198.612 -49.0569 130.059 -49.0566 -136.008 -138.697 130.059 -138.697 203.56 GPRESSURE: 4282400 272.508 -68.676 237.302 -18.7336 -106.505 -84.188 117.569 -153.091 205.959 PRESSAVG: 4282400 50.452 -42.0898 4.80155 -42.0898 9.55284 29.4965 4.80147 29.4965 -42.5925 GPRESSAVG: 4282400 51.2713 -45.6119 4.83386 -39.2544 8.42337 28.5922 3.03317 29.0632 -41.8939 TIMING: 4282400 CPU: 12443.9, 0.00290489/step Wall: 12443.9, 0.00290489/step, 0.579041 hours remaining, 208.070312 MB of memory in use. ENERGY: 4282400 736.8820 2063.5038 1956.5236 111.7536 -206199.0271 17848.7707 0.0000 0.0000 33899.0805 -149582.5128 296.0491 -183481.5933 -149483.6682 298.7627 88.7214 123.9872 557800.2276 5.8041 5.9336 PRESSURE: 4282600 106.268 71.6133 66.6726 71.6141 42.0235 43.7334 66.6747 43.7335 218.646 GPRESSURE: 4282600 170.093 11.1529 59.0329 21.7008 44.1478 43.323 -25.2464 63.9917 255.746 PRESSAVG: 4282600 5.69128 -41.7336 21.4796 -41.7337 -46.1035 -25.8674 21.4797 -25.8674 44.8699 GPRESSAVG: 4282600 4.66842 -40.5987 21.5118 -43.0293 -44.5498 -25.8069 22.4024 -22.0014 44.5159 TIMING: 4282600 CPU: 12444.5, 0.00290299/step Wall: 12444.5, 0.00290299/step, 0.578502 hours remaining, 208.070312 MB of memory in use. ENERGY: 4282600 721.7485 2109.0574 1950.6718 98.3161 -206618.4016 18080.3295 0.0000 0.0000 34156.7659 -149501.5124 298.2995 -183658.2783 -149408.3120 298.6441 122.3126 156.6621 556501.4960 1.4859 1.5448 PRESSURE: 4282800 -337.441 -86.9868 158.099 -86.9857 60.1427 70.6229 158.099 70.6224 -308.001 GPRESSURE: 4282800 -234.911 -72.7179 156.854 49.7214 73.2092 12.9966 73.3445 96.8299 -320.542 PRESSAVG: 4282800 68.684 21.6964 70.5684 21.6965 -54.4353 -14.1346 70.5685 -14.1346 16.4391 GPRESSAVG: 4282800 69.1444 22.6114 69.6465 21.466 -54.976 -13.3065 69.3345 -18.0272 16.959 TIMING: 4282800 CPU: 12445.1, 0.00291654/step Wall: 12445.1, 0.00291654/step, 0.581039 hours remaining, 208.070312 MB of memory in use. ENERGY: 4282800 731.3874 2088.7368 1952.1343 123.8408 -206202.1578 17569.3081 0.0000 0.0000 34214.1566 -149522.5939 298.8007 -183736.7505 -149427.4273 298.1029 -195.0997 -160.7480 557646.7476 10.2292 10.3758 PRESSURE: 4283000 -78.9608 187.649 -145.361 187.65 -133.681 -108.944 -145.361 -108.943 114.469 GPRESSURE: 4283000 -63.8704 185.369 -145.946 181.56 -103.195 -86.6966 -142.469 -139.389 175.593 PRESSAVG: 4283000 -9.01888 35.053 33.4347 35.053 22.8093 -1.15751 33.4347 -1.15751 13.7999 GPRESSAVG: 4283000 -8.66714 35.2042 33.2926 34.5573 23.5136 1.07519 32.6161 -1.50311 13.1703 TIMING: 4283000 CPU: 12445.7, 0.00290948/step Wall: 12445.7, 0.00290948/step, 0.579471 hours remaining, 208.070312 MB of memory in use. ENERGY: 4283000 725.5059 2080.3197 1967.5316 116.7366 -205992.8815 17634.6488 0.0000 0.0000 34115.4336 -149352.7053 297.9386 -183468.1389 -149255.7647 298.6276 -32.7245 2.8427 556721.8218 9.1968 9.3389 PRESSURE: 4283200 304.942 1.97249 -141.653 1.97341 -204.038 78.8635 -141.653 78.8627 160.897 GPRESSURE: 4283200 309.311 -80.7145 -128.311 -59.1687 -109.358 47.3579 -170.863 24.0028 160.52 PRESSAVG: 4283200 -8.20438 -25.3139 29.3057 -25.3138 -4.21606 -7.222 29.3057 -7.22212 16.4165 GPRESSAVG: 4283200 -8.25304 -24.6388 28.9376 -24.8192 -4.0888 -7.96542 31.986 -8.23597 16.2597 TIMING: 4283200 CPU: 12446.2, 0.0029288/step Wall: 12446.2, 0.00292879/step, 0.583156 hours remaining, 208.070312 MB of memory in use. ENERGY: 4283200 737.8928 2102.3479 2007.8942 117.2501 -206446.1600 18057.8874 0.0000 0.0000 34002.0659 -149420.8218 296.9485 -183422.8878 -149331.6523 298.6759 87.2669 120.1574 556362.1885 1.3320 1.3060 PRESSURE: 4283400 1.31541 -70.8129 -116.531 -70.813 135.56 -35.616 -116.531 -35.6168 -61.7669 GPRESSURE: 4283400 58.6711 -35.785 -152.273 -126.956 109.565 -23.936 -79.9859 -5.31141 0.148854 PRESSAVG: 4283400 -46.3597 38.0908 7.89715 38.0909 -2.39968 6.1321 7.89712 6.13208 61.6354 GPRESSAVG: 4283400 -46.91 36.2553 9.80083 38.9444 -2.54181 6.42198 3.85088 7.36001 61.5115 TIMING: 4283400 CPU: 12446.8, 0.00292481/step Wall: 12446.8, 0.00292481/step, 0.582201 hours remaining, 208.070312 MB of memory in use. ENERGY: 4283400 737.9618 2147.2869 1990.0264 106.3488 -206455.9834 17914.0997 0.0000 0.0000 34316.5503 -149243.7094 299.6950 -183560.2597 -149150.2088 298.6700 25.0362 56.1283 556671.2661 4.2920 4.0199 PRESSURE: 4283600 199.888 29.7791 -18.7788 29.7786 -85.489 -74.5722 -18.7808 -74.5732 -63.8536 GPRESSURE: 4283600 240.268 -74.6802 -4.34198 -49.2023 -97.1323 -202.439 29.3273 -19.1831 7.9386 PRESSAVG: 4283600 34.5368 4.02044 -37.7921 4.02051 -26.493 17.5975 -37.7922 17.5975 -0.206757 GPRESSAVG: 4283600 35.1086 3.51929 -38.3076 5.22528 -26.8261 17.3177 -33.7258 17.5724 -0.782461 TIMING: 4283600 CPU: 12447.4, 0.00292029/step Wall: 12447.4, 0.00292029/step, 0.581138 hours remaining, 208.070312 MB of memory in use. ENERGY: 4283600 756.7002 2120.4824 1982.5794 109.3904 -206711.0115 18132.7423 0.0000 0.0000 34072.3621 -149536.7547 297.5624 -183609.1168 -149449.0726 298.8427 16.8485 50.3581 557382.6267 2.6123 2.5000 PRESSURE: 4283800 -193.027 37.7978 11.0678 37.7978 -138.909 -3.56207 11.0675 -3.56102 -172.246 GPRESSURE: 4283800 -196.567 5.16071 40.5151 -9.45107 -152.662 -3.76418 -6.61687 7.05366 -59.1775 PRESSAVG: 4283800 5.86228 -11.4179 24.3101 -11.4179 -10.6026 -15.1655 24.3102 -15.1655 43.6752 GPRESSAVG: 4283800 4.39496 -12.0263 23.2783 -13.019 -10.0514 -16.9018 24.2003 -14.842 44.7372 TIMING: 4283800 CPU: 12448, 0.0029136/step Wall: 12448, 0.0029136/step, 0.579645 hours remaining, 208.070312 MB of memory in use. ENERGY: 4283800 698.0020 2055.9630 1925.5109 111.6208 -205910.3436 17600.3803 0.0000 0.0000 33962.9012 -149555.9655 296.6065 -183518.8667 -149444.8029 298.4322 -168.0608 -136.1355 558420.6263 12.9783 13.0269 PRESSURE: 4284000 -123.189 -125.904 203.633 -125.905 -144.039 239.056 203.633 239.056 -1.94499 GPRESSURE: 4284000 -80.926 -190.32 182.082 11.809 -122.699 193.315 195.931 194.14 32.6168 PRESSAVG: 4284000 -101.082 -37.2394 31.3513 -37.2394 26.6901 16.2502 31.3513 16.2503 68.0718 GPRESSAVG: 4284000 -100.06 -35.9649 31.9423 -38.6873 26.8011 16.225 30.9623 16.3974 66.9376 TIMING: 4284000 CPU: 12448.6, 0.00291158/step Wall: 12448.6, 0.00291158/step, 0.57908 hours remaining, 208.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4284000 725.0459 2028.2221 1946.5026 111.5682 -206227.1689 17860.9796 0.0000 0.0000 34302.9355 -149251.9151 299.5761 -183554.8505 -149149.9898 297.7996 -89.7245 -57.0026 558205.7448 -2.1067 -2.1072 PRESSURE: 4284200 -25.5841 -58.8411 6.55996 -58.841 -282.466 -164.651 6.55987 -164.65 -396.176 GPRESSURE: 4284200 6.8441 -143.893 -48.7019 -31.334 -277.376 -157.704 94.1672 -191.254 -341.37 PRESSAVG: 4284200 -20.7006 -42.0911 10.1009 -42.0912 44.6541 -4.37357 10.1009 -4.37351 28.5991 GPRESSAVG: 4284200 -20.7565 -43.4169 10.2108 -41.6346 45.4642 -3.77634 7.81841 -7.10014 28.374 TIMING: 4284200 CPU: 12449.2, 0.00292832/step Wall: 12449.2, 0.00292832/step, 0.582248 hours remaining, 208.070312 MB of memory in use. ENERGY: 4284200 777.3083 2114.6135 1970.7066 116.3632 -205868.1464 17355.2124 0.0000 0.0000 34226.4338 -149307.5086 298.9080 -183533.9424 -149221.9661 299.1411 -234.7421 -203.9674 557093.2448 17.5175 17.6939 LDB: ============= START OF LOAD BALANCING ============== 12452.6 LDB: ============== END OF LOAD BALANCING =============== 12452.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12452.6 LDB: ============= START OF LOAD BALANCING ============== 12452.9 LDB: Largest compute 4848 load 0.027144 is 23.0% of average load 0.117793 LDB: Average compute 0.001742 is 1.5% of average load 0.117793 LDB: TIME 12452.9 LOAD: AVG 0.117793 MAX 0.180265 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 12452.9 LOAD: AVG 0.117793 MAX 0.180265 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: TIME 12452.9 LOAD: AVG 0.117793 MAX 0.180265 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12452.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12452.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 4284400 -109.166 -94.7473 -119.271 -94.7485 172.207 -26.8087 -119.272 -26.8086 26.4112 GPRESSURE: 4284400 -78.8979 -127.237 -193.218 -17.6339 252.181 -4.0797 -36.7894 -80.3788 9.38958 PRESSAVG: 4284400 -73.9282 -25.444 45.8198 -25.4441 10.3409 -0.218012 45.8198 -0.218012 21.8358 GPRESSAVG: 4284400 -73.2747 -24.4832 47.1564 -24.7611 8.11546 1.41409 45.4341 0.0487108 22.7329 TIMING: 4284400 CPU: 12449.8, 0.00295433/step Wall: 12449.8, 0.00295433/step, 0.587254 hours remaining, 207.097656 MB of memory in use. ENERGY: 4284400 761.2051 2111.2805 1947.1000 128.0399 -205983.8584 17650.4169 0.0000 0.0000 34222.4271 -149163.3887 298.8730 -183385.8159 -149066.0015 299.2854 29.8176 60.8909 556234.4193 -13.9172 -14.1421 PRESSURE: 4284600 -67.8085 -44.2736 -44.2523 -44.2709 24.1904 46.3215 -44.2521 46.3216 -141.276 GPRESSURE: 4284600 -122.967 -16.097 -11.3116 -120.18 84.1185 88.1109 -32.6656 -48.0972 -48.8615 PRESSAVG: 4284600 -16.0541 4.82597 -7.87104 4.8259 51.6206 6.81264 -7.87112 6.81246 -43.5393 GPRESSAVG: 4284600 -17.8966 6.21838 -9.35022 4.1007 53.4808 3.65445 -6.74278 8.58687 -43.4476 TIMING: 4284600 CPU: 12450.3, 0.00289687/step Wall: 12450.3, 0.00289687/step, 0.575673 hours remaining, 207.593750 MB of memory in use. ENERGY: 4284600 726.0603 2131.4184 1957.5114 97.6200 -206043.6102 17719.4117 0.0000 0.0000 34098.2729 -149313.3155 297.7887 -183411.5884 -149211.1434 299.0230 -61.6314 -29.2367 558032.0080 -2.6576 -2.6211 PRESSURE: 4284800 -138.285 -4.67404 -30.7552 -4.67358 53.786 -116.588 -30.7551 -116.588 -32.1983 GPRESSURE: 4284800 -111.575 -46.778 6.52803 -20.8621 119.105 -89.2213 -23.8537 -64.5559 -31.4098 PRESSAVG: 4284800 22.473 -59.0995 -4.4641 -59.0995 48.8785 -21.227 -4.46407 -21.2269 -38.9987 GPRESSAVG: 4284800 23.6236 -59.443 -4.66165 -58.773 48.9588 -17.6494 -3.87714 -23.8191 -40.1094 TIMING: 4284800 CPU: 12450.9, 0.00292253/step Wall: 12450.9, 0.00292253/step, 0.580609 hours remaining, 207.593750 MB of memory in use. ENERGY: 4284800 722.3373 2123.0742 1933.8778 116.0744 -206220.1903 17751.6677 0.0000 0.0000 34378.9955 -149194.1634 300.2403 -183573.1588 -149091.7313 299.7306 -38.8992 -7.9600 556489.1025 10.7843 10.8243 PRESSURE: 4285000 -36.9498 -276.217 37.192 -276.217 167.716 -188.961 37.1914 -188.96 -191.741 GPRESSURE: 4285000 30.5293 -321.004 104.086 -238.575 170.486 -193.438 11.3395 -134.994 -151.866 PRESSAVG: 4285000 -37.5526 -24.0961 25.8625 -24.096 20.8942 5.85166 25.8625 5.85162 -11.6907 GPRESSAVG: 4285000 -38.6152 -24.5749 24.803 -24.767 21.7342 2.93575 26.0537 6.96277 -11.4196 TIMING: 4285000 CPU: 12451.5, 0.00288915/step Wall: 12451.5, 0.00288915/step, 0.573817 hours remaining, 207.593750 MB of memory in use. ENERGY: 4285000 738.8546 2098.5384 1959.9315 111.4868 -206000.0452 17648.0982 0.0000 0.0000 34366.1780 -149076.9577 300.1284 -183443.1356 -148984.6628 299.9471 -20.3249 16.3831 555809.9063 -9.4497 -9.4335 PRESSURE: 4285200 70.2143 -76.9821 120.456 -76.9817 -130.057 -132.143 120.457 -132.141 86.4417 GPRESSURE: 4285200 154.35 -104.888 157.44 -32.1132 -152.637 -121.086 130.15 -224.669 120.496 PRESSAVG: 4285200 -8.28347 -32.0028 68.7179 -32.0028 28.2322 -30.9879 68.7178 -30.9879 35.7496 GPRESSAVG: 4285200 -7.76765 -31.6498 68.1969 -30.535 27.2107 -30.4769 68.8872 -31.6866 35.6972 TIMING: 4285200 CPU: 12452.1, 0.00291025/step Wall: 12452.1, 0.00291025/step, 0.577846 hours remaining, 207.593750 MB of memory in use. ENERGY: 4285200 761.5572 2157.9779 1952.4290 114.3058 -206186.6709 17832.3148 0.0000 0.0000 34276.6772 -149091.4090 299.3467 -183368.0862 -148995.9357 299.2409 8.8664 40.7364 557400.1225 18.5661 18.3801 PRESSURE: 4285400 -283.704 -71.0269 58.4488 -71.0276 -73.6928 4.89504 58.4478 4.89501 -170.687 GPRESSURE: 4285400 -178.276 -47.4821 14.6857 -108.88 -81.2125 66.7605 120.299 -67.6779 -172.558 PRESSAVG: 4285400 4.65898 -58.0551 10.6257 -58.055 -34.4777 -3.67518 10.6257 -3.67513 68.4179 GPRESSAVG: 4285400 4.68932 -57.8408 11.0531 -60.1337 -34.6496 -5.47276 12.28 -1.2762 68.8759 TIMING: 4285400 CPU: 12452.7, 0.00288095/step Wall: 12452.7, 0.00288095/step, 0.57187 hours remaining, 207.593750 MB of memory in use. ENERGY: 4285400 786.6805 2089.8593 1950.4962 123.7469 -206490.9651 17777.8701 0.0000 0.0000 34600.9000 -149161.4120 302.1783 -183762.3120 -149061.3314 299.8354 -176.0280 -144.0158 556904.6449 12.8664 12.9718 PRESSURE: 4285600 -167.965 -111.736 32.0737 -111.736 -99.846 -53.032 32.0753 -53.0315 52.9853 GPRESSURE: 4285600 -173.998 -147.643 59.8325 -118.674 -92.8947 -86.8142 -11.2117 -43.5652 146.248 PRESSAVG: 4285600 -3.91415 31.9541 -4.37796 31.9542 1.50412 41.018 -4.37798 41.0179 31.9408 GPRESSAVG: 4285600 -4.47665 31.6657 -3.47766 31.3559 1.53985 42.7427 -5.54084 40.3683 32.2812 TIMING: 4285600 CPU: 12453.2, 0.00289065/step Wall: 12453.2, 0.00289065/step, 0.573634 hours remaining, 207.593750 MB of memory in use. ENERGY: 4285600 717.8426 2162.5502 1996.1012 117.5168 -206204.7471 17611.0488 0.0000 0.0000 34384.6891 -149214.9984 300.2900 -183599.6875 -149120.9476 299.9050 -71.6084 -40.2148 556934.4234 9.8436 9.7815 PRESSURE: 4285800 -36.8812 45.5116 87.3693 45.5132 373.535 -58.9741 87.3691 -58.9736 183.372 GPRESSURE: 4285800 71.1757 65.8395 85.9632 -13.2443 356.418 -42.7252 54.2264 -38.73 204.861 PRESSAVG: 4285800 -5.49523 9.4594 -40.8834 9.45936 -29.6872 -9.75156 -40.8832 -9.75151 32.6886 GPRESSAVG: 4285800 -5.8341 8.70445 -40.6205 8.65415 -29.4459 -9.91773 -42.2311 -9.47202 33.4055 TIMING: 4285800 CPU: 12453.8, 0.00289487/step Wall: 12453.8, 0.00289487/step, 0.57431 hours remaining, 207.593750 MB of memory in use. ENERGY: 4285800 707.0493 2117.1517 1977.9631 106.0863 -206218.1632 17844.1253 0.0000 0.0000 34298.6394 -149167.1481 299.5385 -183465.7875 -149063.1963 299.0857 173.3420 210.8183 555340.8567 -0.8313 -0.6248 PRESSURE: 4286000 -48.3727 -10.1759 -70.1678 -10.1747 -5.77812 24.6388 -70.1676 24.639 27.3302 GPRESSURE: 4286000 -51.5147 73.5134 -28.3549 -42.8677 64.0587 7.90091 -96.3979 -4.79603 53.4163 PRESSAVG: 4286000 6.72494 -10.4873 -12.8989 -10.4872 44.6454 32.2647 -12.8989 32.2646 -72.9071 GPRESSAVG: 4286000 6.336 -9.43957 -13.5149 -10.6801 45.7729 32.1801 -13.4268 32.1161 -74.357 TIMING: 4286000 CPU: 12454.4, 0.0028993/step Wall: 12454.4, 0.0028993/step, 0.575028 hours remaining, 207.593750 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: 4286000 703.2063 2114.8944 1963.6926 115.8676 -205906.4213 17678.5606 0.0000 0.0000 34234.9628 -149095.2370 298.9824 -183330.1998 -148997.9582 299.6878 -8.9402 21.9868 557635.2599 -7.1789 -7.4160 PRESSURE: 4286200 88.127 17.8252 15.5369 17.8249 396.029 -66.769 15.5367 -66.7712 64.3585 GPRESSURE: 4286200 116.333 -13.3178 -1.259 30.2615 348.082 -74.6788 67.2461 -53.3949 173.438 PRESSAVG: 4286200 6.82739 -8.24122 -58.876 -8.24124 49.3859 51.645 -58.8759 51.6449 -46.6084 GPRESSAVG: 4286200 8.45488 -10.6149 -60.4932 -7.82217 47.5663 52.1157 -56.2186 50.9604 -46.4309 TIMING: 4286200 CPU: 12455, 0.00290862/step Wall: 12455, 0.00290862/step, 0.576714 hours remaining, 207.593750 MB of memory in use. ENERGY: 4286200 735.4702 2041.0677 1969.7297 122.3599 -206210.7415 18030.4102 0.0000 0.0000 34111.3528 -149200.3511 297.9029 -183311.7039 -149102.5343 298.5171 182.8381 212.6176 557143.4889 3.2016 3.1967 PRESSURE: 4286400 -134.181 -128.043 20.0075 -128.043 -189.442 -47.2344 20.0076 -47.2343 -89.2335 GPRESSURE: 4286400 -137.287 -109.92 1.04479 -215.127 -110.538 -5.40841 -14.1098 -91.1653 -66.6864 PRESSAVG: 4286400 -35.9708 34.1658 -10.0666 34.1659 78.0086 16.4242 -10.0666 16.424 -21.6402 GPRESSAVG: 4286400 -37.4305 35.0599 -9.19426 34.0898 79.1508 16.3901 -12.3858 17.5903 -20.4944 TIMING: 4286400 CPU: 12455.6, 0.00289884/step Wall: 12455.6, 0.00289884/step, 0.574615 hours remaining, 207.593750 MB of memory in use. ENERGY: 4286400 713.8158 2061.0729 1954.8884 116.1895 -206033.6274 17456.0095 0.0000 0.0000 34462.4555 -149269.1958 300.9692 -183731.6514 -149171.4128 299.6260 -137.6187 -104.8373 556805.0204 6.7992 7.0753 PRESSURE: 4286600 24.0233 -2.66705 122.953 -2.66801 -83.5297 -63.5769 122.953 -63.5773 75.5256 GPRESSURE: 4286600 69.295 16.4803 49.3427 67.7258 -47.8744 -18.6873 120.738 6.16912 84.8845 PRESSAVG: 4286600 93.1478 1.31542 -13.2905 1.31536 38.9973 21.5216 -13.2906 21.5215 -125.239 GPRESSAVG: 4286600 93.983 0.554013 -14.0392 2.35646 38.4103 20.054 -13.3068 20.27 -125.747 TIMING: 4286600 CPU: 12456.1, 0.00288387/step Wall: 12456.1, 0.00288387/step, 0.571487 hours remaining, 207.593750 MB of memory in use. ENERGY: 4286600 746.2602 2116.5606 1965.1571 123.3315 -206231.4033 17857.8015 0.0000 0.0000 34196.9971 -149225.2954 298.6509 -183422.2924 -149124.6773 298.8257 5.3398 35.4350 556035.7197 2.3022 2.2154 PRESSURE: 4286800 102.44 -131.183 111.098 -131.183 -103.523 -20.1685 111.096 -20.172 -13.6482 GPRESSURE: 4286800 141.788 -115.44 185.901 -159.255 -62.7472 -51.9063 109.378 -17.1427 1.00501 PRESSAVG: 4286800 46.3939 -56.7611 -43.6154 -56.7611 42.0927 -9.17304 -43.6153 -9.17303 -76.1617 GPRESSAVG: 4286800 46.5223 -55.573 -41.081 -55.8854 41.9296 -8.45989 -45.0612 -8.41713 -75.8257 TIMING: 4286800 CPU: 12456.7, 0.00289809/step Wall: 12456.7, 0.00289809/step, 0.574145 hours remaining, 207.593750 MB of memory in use. ENERGY: 4286800 748.8883 2096.3201 1972.5945 105.3124 -206369.0424 17835.4517 0.0000 0.0000 34397.7439 -149212.7314 300.4041 -183610.4753 -149115.5617 299.6873 -4.9103 26.6820 556171.4439 4.1083 4.2088 PRESSURE: 4287000 206.037 134.9 -4.67278 134.899 -89.7856 116.489 -4.67255 116.488 -43.263 GPRESSURE: 4287000 254.256 121.252 -45.0172 95.879 -66.736 151.714 39.3271 168.221 -9.98425 PRESSAVG: 4287000 30.9693 5.72886 -13.6851 5.72878 5.5836 -13.303 -13.685 -13.303 -52.0434 GPRESSAVG: 4287000 30.5214 5.40462 -14.1114 2.98007 6.13426 -12.461 -12.4111 -13.2058 -52.4802 TIMING: 4287000 CPU: 12457.3, 0.00289613/step Wall: 12457.3, 0.00289613/step, 0.573594 hours remaining, 207.593750 MB of memory in use. ENERGY: 4287000 728.4365 2116.2078 1930.8431 100.0160 -206232.3117 17853.3327 0.0000 0.0000 34458.9625 -149044.5130 300.9387 -183503.4756 -148949.8649 299.8190 24.3294 59.1785 557987.0563 -5.1635 -5.2749 PRESSURE: 4287200 -248.351 -94.8629 -36.5369 -94.863 -218.455 -4.38155 -36.538 -4.38237 -154.752 GPRESSURE: 4287200 -216.8 -217.929 -91.4301 -76.3105 -154.316 71.2658 -20.221 -9.58991 -149.644 PRESSAVG: 4287200 73.5097 0.954396 -92.9077 0.954538 -38.1325 28.3999 -92.9077 28.3998 -50.3475 GPRESSAVG: 4287200 75.0087 1.22023 -92.1151 0.939395 -38.9469 28.7056 -93.646 27.5294 -50.9259 TIMING: 4287200 CPU: 12457.9, 0.00292185/step Wall: 12457.9, 0.00292185/step, 0.578526 hours remaining, 207.593750 MB of memory in use. ENERGY: 4287200 759.2914 2064.1700 1974.3211 109.4014 -205881.2909 17505.2539 0.0000 0.0000 34160.8571 -149307.9958 298.3353 -183468.8530 -149209.6266 299.2034 -207.1861 -173.5869 558112.2904 -4.9901 -4.9547 PRESSURE: 4287400 -62.589 -61.6444 75.2982 -61.6443 -370.477 -186.849 75.2977 -186.851 -225.951 GPRESSURE: 4287400 -0.908516 -104.575 75.4601 -45.5208 -336.386 -204.171 8.01187 -193.483 -233.816 PRESSAVG: 4287400 -4.62235 -24.6776 -21.9169 -24.6775 -11.4974 10.5648 -21.917 10.5647 49.6767 GPRESSAVG: 4287400 -6.70213 -23.6722 -24.2208 -24.6513 -11.1504 8.92809 -19.741 10.9916 50.7595 TIMING: 4287400 CPU: 12458.5, 0.00291747/step Wall: 12458.5, 0.00291747/step, 0.577497 hours remaining, 207.593750 MB of memory in use. ENERGY: 4287400 769.7700 2121.9781 1949.7996 100.7130 -206057.0750 17615.3820 0.0000 0.0000 34271.7178 -149227.7146 299.3034 -183499.4324 -149135.5383 298.1685 -219.6724 -190.3701 558421.4300 11.1856 10.9690 PRESSURE: 4287600 -59.6386 -83.5122 -138.096 -83.5105 -28.3501 -79.4364 -138.096 -79.4361 -52.228 GPRESSURE: 4287600 -37.4542 -83.5262 -125.936 -31.5272 10.1743 65.1192 -174.661 -130.466 -16.6144 PRESSAVG: 4287600 59.0363 -28.1208 -6.86735 -28.1208 -45.2507 -56.189 -6.86736 -56.189 -7.96845 GPRESSAVG: 4287600 59.6377 -31.0651 -6.16422 -26.6984 -45.1866 -54.6598 -7.61841 -56.0352 -8.87118 TIMING: 4287600 CPU: 12459, 0.00292009/step Wall: 12459, 0.00292009/step, 0.577853 hours remaining, 207.593750 MB of memory in use. ENERGY: 4287600 760.0400 2114.0946 1954.3014 115.3668 -206312.0613 17854.6878 0.0000 0.0000 34148.2315 -149365.3391 298.2250 -183513.5706 -149267.8314 298.7669 -46.7389 -14.6314 558181.8429 1.9390 1.8600 PRESSURE: 4287800 200.841 168.645 -55.851 168.645 48.9759 -16.3238 -55.85 -16.3226 -100.89 GPRESSURE: 4287800 208.859 75.6142 -27.7347 182.739 104.134 -27.6183 -3.98403 11.9563 -68.2554 PRESSAVG: 4287800 33.4971 -6.49758 0.596964 -6.49753 -24.6029 -7.51443 0.596991 -7.51457 -16.4563 GPRESSAVG: 4287800 34.545 -6.3827 -0.692327 -6.16614 -25.2205 -8.28527 2.01989 -8.09366 -16.754 TIMING: 4287800 CPU: 12459.6, 0.00287369/step Wall: 12459.6, 0.00287369/step, 0.568512 hours remaining, 207.593750 MB of memory in use. ENERGY: 4287800 752.4337 2033.9611 1958.7517 115.0841 -206494.3786 18059.1473 0.0000 0.0000 34241.6611 -149333.3396 299.0409 -183575.0007 -149234.2093 298.6186 49.6424 81.5791 556767.4958 -2.5207 -2.4765 PRESSURE: 4288000 -74.1918 13.6472 -62.1416 13.6477 56.4627 -185.247 -62.1407 -185.246 -82.0116 GPRESSURE: 4288000 -32.8416 -56.4595 2.96566 19.5003 87.5794 -168.879 -121.34 -200.609 -51.6072 PRESSAVG: 4288000 16.0882 26.8286 43.6558 26.8286 12.426 7.92735 43.6557 7.92727 -59.6262 GPRESSAVG: 4288000 16.7832 26.4086 46.7243 27.0327 12.7024 8.21099 39.8155 8.03022 -60.4305 TIMING: 4288000 CPU: 12460.2, 0.00289389/step Wall: 12460.2, 0.00289389/step, 0.572347 hours remaining, 207.593750 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: 4288000 776.9936 2083.6853 1945.2337 124.5172 -206302.8103 17821.8885 0.0000 0.0000 34240.3726 -149310.1194 299.0297 -183550.4920 -149219.8647 298.6573 -33.2469 1.0435 557763.1934 -10.3707 -10.3150 PRESSURE: 4288200 -46.9401 10.5347 20.1178 10.5358 -171.633 114.52 20.1175 114.518 -81.0192 GPRESSURE: 4288200 -35.7029 49.0814 -4.88301 -35.6355 -124.519 125.683 28.9626 85.5882 -31.1467 PRESSAVG: 4288200 -22.82 -13.9767 16.3083 -13.9766 32.6083 5.50497 16.3082 5.50495 -16.4805 GPRESSAVG: 4288200 -22.391 -11.6432 14.9035 -16.0243 30.7009 6.44447 17.4466 5.93583 -15.4817 TIMING: 4288200 CPU: 12460.8, 0.00289167/step Wall: 12460.8, 0.00289167/step, 0.571747 hours remaining, 207.796875 MB of memory in use. ENERGY: 4288200 776.4747 2060.5188 1969.0112 105.9859 -206013.8778 17638.0194 0.0000 0.0000 34166.5453 -149297.3225 298.3849 -183463.8678 -149204.3765 299.0493 -99.8640 -63.7894 558616.8616 -2.2308 -2.3906 LDB: ============= START OF LOAD BALANCING ============== 12464.2 LDB: ============== END OF LOAD BALANCING =============== 12464.2 LDB: =============== DONE WITH MIGRATION ================ 12464.2 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12464.5 LDB: Largest compute 4848 load 0.026881 is 22.8% of average load 0.117687 LDB: Average compute 0.001744 is 1.5% of average load 0.117687 LDB: TIME 12464.5 LOAD: AVG 0.117687 MAX 0.178028 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 12464.5 LOAD: AVG 0.117687 MAX 0.178028 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: TIME 12464.5 LOAD: AVG 0.117687 MAX 0.178028 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12464.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12464.5 PRESSURE: 4288400 83.9109 170.628 135.941 170.627 -342.6 58.99 135.94 58.9893 -125.99 GPRESSURE: 4288400 70.859 203.592 135.734 147.914 -307.703 34.3179 123.664 97.7607 -47.8548 PRESSAVG: 4288400 46.1414 7.23897 47.536 7.23891 -37.6833 44.438 47.5361 44.4381 -10.6479 GPRESSAVG: 4288400 44.6717 7.10289 47.5942 8.61236 -35.472 43.4189 47.8826 44.148 -11.3679 TIMING: 4288400 CPU: 12461.4, 0.00293563/step Wall: 12461.4, 0.00293563/step, 0.580277 hours remaining, 208.125000 MB of memory in use. ENERGY: 4288400 747.8942 2086.1982 1986.7755 117.5501 -206279.8955 17693.6830 0.0000 0.0000 34229.8663 -149417.9283 298.9379 -183647.7946 -149320.6855 298.0806 -128.2266 -94.8996 557673.5316 -0.7299 -0.7227 PRESSURE: 4288600 23.7882 -32.733 -86.4513 -32.7332 -1.98702 -88.6136 -86.4514 -88.6129 -29.1911 GPRESSURE: 4288600 51.9281 23.3976 -105.401 -22.0684 32.5163 -119.064 -25.4763 -14.246 20.6911 PRESSAVG: 4288600 58.5401 2.96018 6.56057 2.96029 -9.68591 35.3442 6.56046 35.3442 -41.7906 GPRESSAVG: 4288600 59.4182 2.33243 7.30207 3.74536 -9.96075 33.5631 6.68722 35.6004 -43.1838 TIMING: 4288600 CPU: 12461.9, 0.00289181/step Wall: 12461.9, 0.00289181/step, 0.571454 hours remaining, 208.125000 MB of memory in use. ENERGY: 4288600 755.5129 2080.7341 1978.9892 112.0942 -206237.1314 17921.1322 0.0000 0.0000 33984.7941 -149403.8748 296.7977 -183388.6689 -149309.4364 298.0785 -2.4633 35.0452 558682.9607 2.3545 2.0912 PRESSURE: 4288800 -4.00226 -118.058 3.69996 -118.058 -120.34 -14.7967 3.69954 -14.7952 -154.285 GPRESSURE: 4288800 49.04 -126.944 -7.79687 -87.1023 -76.1717 -33.714 45.905 -41.4907 -149.786 PRESSAVG: 4288800 2.61755 14.0364 38.9186 14.0363 -21.2287 75.3077 38.9187 75.3077 -22.4085 GPRESSAVG: 4288800 1.73475 16.0417 37.8799 10.4897 -22.1324 75.7867 39.8622 77.4643 -20.1077 TIMING: 4288800 CPU: 12462.5, 0.00286557/step Wall: 12462.5, 0.00286557/step, 0.566109 hours remaining, 208.328125 MB of memory in use. ENERGY: 4288800 735.4017 2091.6818 1965.6742 116.4231 -206395.7383 17869.9470 0.0000 0.0000 34151.9328 -149464.6777 298.2573 -183616.6105 -149365.7343 298.8108 -92.8758 -58.9724 558785.4847 -13.6732 -13.5018 PRESSURE: 4289000 -58.4935 -119.909 2.41003 -119.909 174.307 -47.6522 2.41063 -47.6519 -117.134 GPRESSURE: 4289000 -27.6796 -239.512 -16.2385 -12.5415 154.852 3.14807 -43.1139 -102.585 -38.0269 PRESSAVG: 4289000 42.484 -14.6497 17.8651 -14.6497 5.54962 22.8399 17.8651 22.8399 -58.6195 GPRESSAVG: 4289000 42.4129 -18.1238 17.1991 -10.184 6.26023 25.0184 17.7186 20.9207 -58.2259 TIMING: 4289000 CPU: 12463.1, 0.00287245/step Wall: 12463.1, 0.00287245/step, 0.567308 hours remaining, 208.328125 MB of memory in use. ENERGY: 4289000 736.7181 2083.0637 1948.0794 113.6783 -206544.4863 17985.1595 0.0000 0.0000 34330.1098 -149347.6774 299.8134 -183677.7872 -149253.3487 298.6791 -0.4401 29.7151 558059.1451 -3.5286 -3.1843 PRESSURE: 4289200 51.5676 -89.0935 -78.3497 -89.0935 -164.095 -33.5474 -78.3506 -33.5464 -139.673 GPRESSURE: 4289200 11.1876 -67.6782 -39.6755 -18.481 -64.8881 -30.679 -182.281 -13.6091 -102.655 PRESSAVG: 4289200 12.3614 -67.1499 40.0394 -67.1498 18.9587 3.80689 40.0393 3.80682 -41.1963 GPRESSAVG: 4289200 14.0241 -67.1368 40.4529 -69.2457 19.0612 4.91241 40.7019 2.21628 -42.8596 TIMING: 4289200 CPU: 12463.7, 0.00287853/step Wall: 12463.7, 0.00287853/step, 0.56835 hours remaining, 208.328125 MB of memory in use. ENERGY: 4289200 794.4334 2061.0568 1966.4019 107.0349 -206554.5439 17991.9557 0.0000 0.0000 34140.8353 -149492.8259 298.1604 -183633.6612 -149396.2264 298.5142 -84.0670 -52.1187 557335.7627 -3.2921 -3.2581 PRESSURE: 4289400 144.723 247.871 21.5273 247.87 -25.356 -69.1129 21.5273 -69.1118 360.485 GPRESSURE: 4289400 216.102 246.414 5.79278 241.477 18.2332 -78.0379 124.816 -65.7958 330.869 PRESSAVG: 4289400 6.3987 -38.5631 -31.9676 -38.5631 -18.5411 -38.4712 -31.9675 -38.4712 44.2525 GPRESSAVG: 4289400 5.29336 -38.0283 -32.5811 -39.1016 -18.2348 -41.5904 -31.1736 -37.3141 45.3134 TIMING: 4289400 CPU: 12464.2, 0.00289742/step Wall: 12464.2, 0.00289742/step, 0.571919 hours remaining, 208.328125 MB of memory in use. ENERGY: 4289400 765.2930 2079.8611 1969.2595 102.0241 -206439.9641 17958.3175 0.0000 0.0000 34212.4383 -149352.7706 298.7857 -183565.2089 -149252.9406 298.5050 159.9505 188.4014 556507.6548 10.7034 10.7907 PRESSURE: 4289600 -104.076 -151.925 38.1045 -151.925 -166.485 56.4036 38.1047 56.4038 -101.55 GPRESSURE: 4289600 -92.1096 -99.7626 28.7027 -209.054 -91.0058 40.6537 62.4622 169.343 -108.084 PRESSAVG: 4289600 -42.6194 32.7709 -41.365 32.7709 -4.1787 -30.4594 -41.365 -30.4595 37.0404 GPRESSAVG: 4289600 -41.908 33.2891 -40.9896 32.2204 -4.66298 -27.0192 -42.5829 -31.6202 36.7953 TIMING: 4289600 CPU: 12464.8, 0.00288198/step Wall: 12464.8, 0.00288198/step, 0.568711 hours remaining, 208.328125 MB of memory in use. ENERGY: 4289600 769.2336 2039.0293 1960.3994 118.0262 -206044.8784 17617.8961 0.0000 0.0000 34135.6985 -149404.5953 298.1155 -183540.2938 -149307.9160 298.7507 -124.0372 -97.0665 557673.9709 -3.2526 -3.2586 PRESSURE: 4289800 -119.008 -14.3769 170.777 -14.3765 89.8226 186.501 170.778 186.502 -15.0025 GPRESSURE: 4289800 -104.787 -31.4721 207.387 -51.0029 104.757 195.166 190.562 184.951 52.8517 PRESSAVG: 4289800 -26.5792 -75.4579 30.9866 -75.4578 -5.11794 73.893 30.9868 73.8929 32.184 GPRESSAVG: 4289800 -26.4313 -76.2969 30.9421 -74.9597 -4.90148 72.1638 32.951 72.7831 31.8275 TIMING: 4289800 CPU: 12465.4, 0.0028969/step Wall: 12465.4, 0.0028969/step, 0.571493 hours remaining, 208.328125 MB of memory in use. ENERGY: 4289800 721.5139 2075.5879 1941.9422 106.2002 -206087.4857 17745.4846 0.0000 0.0000 34168.1550 -149328.6018 298.3990 -183496.7568 -149236.0344 298.1835 -14.7293 17.6071 557373.3010 0.1623 0.1649 PRESSURE: 4290000 -316.679 -67.4305 48.6273 -67.4308 -551.991 -73.6039 48.6286 -73.6032 -232.142 GPRESSURE: 4290000 -278.871 -55.8406 -42.3413 -84.4025 -491.069 -166.05 166.768 -32.2928 -233.845 PRESSAVG: 4290000 -2.30004 -47.2629 40.86 -47.2628 -22.1646 -5.64743 40.8601 -5.64745 -4.86753 GPRESSAVG: 4290000 -1.6571 -47.1624 42.2467 -45.2071 -22.9245 -6.05675 39.6544 -3.94219 -4.65993 TIMING: 4290000 CPU: 12466, 0.00289982/step Wall: 12466, 0.00289982/step, 0.571909 hours remaining, 208.328125 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: 4290000 785.0618 2073.4720 1977.2200 119.4312 -205863.7949 17311.9692 0.0000 0.0000 33982.8925 -149613.7481 296.7811 -183596.6406 -149517.5941 298.0558 -366.9374 -334.5949 557850.4146 -9.7774 -9.7472 PRESSURE: 4290200 131.073 37.6276 -44.908 37.6275 57.9285 45.1723 -44.907 45.172 208.971 GPRESSURE: 4290200 162.081 103.958 -1.7127 -23.3615 82.357 0.794369 -56.5629 99.3727 245.137 PRESSAVG: 4290200 38.4625 -47.9763 35.6469 -47.9763 -50.6615 -52.2583 35.647 -52.2583 37.8813 GPRESSAVG: 4290200 38.1182 -45.3142 34.068 -50.5992 -50.169 -51.74 35.276 -52.7623 37.8432 TIMING: 4290200 CPU: 12466.6, 0.00288569/step Wall: 12466.6, 0.00288569/step, 0.568963 hours remaining, 208.328125 MB of memory in use. ENERGY: 4290200 728.0105 2079.2741 1944.8655 117.9124 -206429.4309 18056.8868 0.0000 0.0000 34008.6454 -149493.8363 297.0060 -183502.4817 -149396.3536 298.6915 132.6575 163.1913 555978.9867 8.5608 8.5975 PRESSURE: 4290400 -77.2838 -4.83743 -5.70029 -4.83671 -254.293 -64.2188 -5.70155 -64.2186 69.6098 GPRESSURE: 4290400 -65.5427 33.3245 12.0363 -24.1854 -146.792 -152.817 -51.7043 -22.5942 22.5089 PRESSAVG: 4290400 112.804 -27.4611 -29.964 -27.4611 -7.46438 3.6994 -29.964 3.69943 -82.8175 GPRESSAVG: 4290400 112.556 -30.1007 -28.2814 -27.0954 -6.8404 2.70652 -29.7655 3.57981 -83.5582 TIMING: 4290400 CPU: 12467.1, 0.00288808/step Wall: 12467.1, 0.00288808/step, 0.569272 hours remaining, 208.328125 MB of memory in use. ENERGY: 4290400 740.2131 2114.5820 1974.8458 120.1014 -206305.1669 17713.7381 0.0000 0.0000 34177.3914 -149464.2951 298.4797 -183641.6865 -149365.1458 298.2516 -87.3225 -63.2754 556953.7586 7.5075 7.3859 PRESSURE: 4290600 -119.627 151.758 60.6632 151.758 -21.7985 55.8636 60.6629 55.8636 -203.049 GPRESSURE: 4290600 -101.672 113.299 -18.2954 156.861 -16.9353 -4.1166 113.691 117.065 -129.6 PRESSAVG: 4290600 74.3948 37.8704 28.213 37.8704 -47.3541 -0.816455 28.213 -0.816388 -66.306 GPRESSAVG: 4290600 75.2861 36.0338 27.2668 40.3568 -47.71 -0.790639 29.2343 0.59804 -66.9693 TIMING: 4290600 CPU: 12467.7, 0.00288604/step Wall: 12467.7, 0.00288604/step, 0.56871 hours remaining, 208.328125 MB of memory in use. ENERGY: 4290600 735.0215 2139.0327 1925.5099 120.6847 -206057.9587 17359.9729 0.0000 0.0000 34404.4157 -149373.3213 300.4623 -183777.7370 -149275.5789 298.5410 -114.8251 -82.7357 556476.7670 -13.0884 -13.1311 PRESSURE: 4290800 92.6371 78.4788 -28.5049 78.4784 60.3655 -41.9035 -28.5054 -41.8989 54.9684 GPRESSURE: 4290800 88.8831 102.966 -9.74299 25.1497 140.946 -17.1128 12.3298 -122.257 75.9064 PRESSAVG: 4290800 -12.4739 13.4743 -35.6184 13.4743 17.9765 40.8361 -35.6183 40.8361 -11.8802 GPRESSAVG: 4290800 -13.7867 13.4595 -37.709 12.1344 18.2137 41.0955 -34.9017 39.8019 -10.7466 TIMING: 4290800 CPU: 12468.3, 0.00290012/step Wall: 12468.3, 0.00290012/step, 0.571323 hours remaining, 208.328125 MB of memory in use. ENERGY: 4290800 744.3432 2056.1484 1967.6378 115.1123 -206255.6240 17867.4092 0.0000 0.0000 34189.6788 -149315.2943 298.5870 -183504.9730 -149224.3674 299.3506 69.3236 101.9119 555442.4614 -2.1259 -2.1066 PRESSURE: 4291000 288.323 4.72013 -85.6461 4.72253 -14.3595 130.423 -85.6465 130.423 -8.513 GPRESSURE: 4291000 308.486 30.3266 -96.195 -41.7328 41.9571 212.475 -143.817 137.023 24.8752 PRESSAVG: 4291000 -12.249 36.7242 -5.55746 36.7243 -40.7361 45.2282 -5.55751 45.2282 62.4918 GPRESSAVG: 4291000 -11.8793 37.7552 -5.53669 36.6522 -40.2969 45.1633 -5.53324 45.0118 61.7642 TIMING: 4291000 CPU: 12468.9, 0.00290451/step Wall: 12468.9, 0.00290451/step, 0.572027 hours remaining, 208.328125 MB of memory in use. ENERGY: 4291000 705.1639 2101.1940 1957.4148 121.5862 -206551.7074 17818.2064 0.0000 0.0000 34440.3178 -149407.8244 300.7759 -183848.1422 -149309.9102 298.9735 88.4835 125.1061 554436.3564 3.1689 3.1960 PRESSURE: 4291200 93.9533 137.013 57.4553 137.013 94.2228 -84.3232 57.4566 -84.3207 143.807 GPRESSURE: 4291200 72.5209 101.989 -20.5721 158.913 157.915 112.344 104.395 -112.584 213.561 PRESSAVG: 4291200 5.04642 -13.1979 -21.8712 -13.1979 27.2653 26.1057 -21.8711 26.1058 -5.49948 GPRESSAVG: 4291200 5.78846 -12.9647 -19.964 -11.055 25.6415 24.3049 -23.0094 26.3566 -5.16706 TIMING: 4291200 CPU: 12469.4, 0.00288757/step Wall: 12469.4, 0.00288757/step, 0.568531 hours remaining, 208.328125 MB of memory in use. ENERGY: 4291200 750.0478 2138.5968 1960.7541 121.8320 -206454.0970 17927.1180 0.0000 0.0000 34246.0183 -149309.7299 299.0790 -183555.7483 -149214.2776 299.4006 110.6611 147.9987 555796.6693 8.9374 8.7543 PRESSURE: 4291400 -223.63 -6.71297 37.847 -6.71441 -47.2489 58.4745 37.8453 58.474 197.156 GPRESSURE: 4291400 -181.665 72.5577 -38.0363 -56.4667 -4.80871 -0.0601783 77.9421 46.1751 206.35 PRESSAVG: 4291400 9.00764 14.3113 3.8651 14.3113 -34.3959 -49.5438 3.86503 -49.5438 25.1753 GPRESSAVG: 4291400 7.9803 14.2566 6.21662 13.0397 -34.1823 -50.5933 2.78815 -47.1349 26.0999 TIMING: 4291400 CPU: 12470, 0.00288355/step Wall: 12470, 0.00288355/step, 0.567579 hours remaining, 208.328125 MB of memory in use. ENERGY: 4291400 721.8128 2169.0527 1939.3875 117.3661 -205968.7722 17585.5538 0.0000 0.0000 34033.6067 -149401.9925 297.2240 -183435.5992 -149307.1033 298.8461 -24.5745 6.6254 557058.4999 -0.0710 -0.0340 PRESSURE: 4291600 60.1673 -45.2612 -95.9076 -45.262 -71.6643 -66.0863 -95.9072 -66.0868 -14.3619 GPRESSURE: 4291600 27.9834 -66.5199 -147.515 -108.852 58.5224 -58.4225 -35.9464 -130.155 -7.93098 PRESSAVG: 4291600 -22.8438 18.4548 -37.3912 18.4547 -6.06653 20.5023 -37.3912 20.5022 20.2329 GPRESSAVG: 4291600 -22.2603 19.2449 -39.3685 17.2321 -5.13418 25.4097 -38.7485 15.765 18.6624 TIMING: 4291600 CPU: 12470.6, 0.00288422/step Wall: 12470.6, 0.00288422/step, 0.567551 hours remaining, 208.328125 MB of memory in use. ENERGY: 4291600 763.0570 2105.6450 1941.1813 113.6877 -206478.1973 17920.7882 0.0000 0.0000 34215.6397 -149418.1984 298.8137 -183633.8382 -149314.6560 298.7669 -8.6196 26.1916 557307.9116 -2.8925 -2.9107 PRESSURE: 4291800 -283.287 32.199 -223.042 32.1994 -271.436 -53.9123 -223.042 -53.9136 -227.956 GPRESSURE: 4291800 -251.784 7.42076 -262.654 95.3493 -214.496 80.9619 -230.528 -99.8152 -224.794 PRESSAVG: 4291800 -24.325 2.81597 64.3026 2.8159 -14.3405 -30.7719 64.3026 -30.7719 65.2199 GPRESSAVG: 4291800 -25.1267 3.71962 65.1039 2.5134 -15.0582 -33.0224 66.3841 -26.9691 66.2975 TIMING: 4291800 CPU: 12471.2, 0.00288153/step Wall: 12471.2, 0.00288153/step, 0.566861 hours remaining, 208.328125 MB of memory in use. ENERGY: 4291800 774.5200 2092.1108 1957.8447 115.0115 -206206.9657 17556.2598 0.0000 0.0000 34080.5856 -149630.6333 297.6342 -183711.2190 -149539.1215 298.4739 -260.8933 -230.3582 557699.2841 8.8515 8.7042 PRESSURE: 4292000 -303.188 -135.569 -182.727 -135.569 -97.7064 24.7733 -182.725 24.7732 -148.286 GPRESSURE: 4292000 -271.918 -107.453 -93.3757 -141.104 -54.1803 71.4961 -243.559 -9.17929 -121.577 PRESSAVG: 4292000 15.4289 -19.4929 -24.2537 -19.493 -23.2845 -17.2363 -24.2538 -17.2362 -4.54155 GPRESSAVG: 4292000 15.7452 -18.3749 -24.194 -18.1594 -22.0512 -16.8694 -25.2324 -20.2227 -6.20842 TIMING: 4292000 CPU: 12471.8, 0.0028755/step Wall: 12471.8, 0.0028755/step, 0.565515 hours remaining, 208.328125 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: 4292000 739.4531 2106.6867 1922.6655 109.1128 -206354.9496 17527.8544 0.0000 0.0000 34316.5014 -149632.6757 299.6945 -183949.1771 -149528.3526 297.0499 -183.0602 -149.2250 556699.0060 -4.1324 -4.1715 PRESSURE: 4292200 -305.411 61.4892 12.7588 61.4905 -175.454 -163.895 12.759 -163.895 -66.3644 GPRESSURE: 4292200 -313.355 182.236 62.2425 13.3076 -74.2494 -115.583 1.82395 -230.793 -60.0283 PRESSAVG: 4292200 -51.0443 47.2 29.9172 47.2 22.9221 -46.4968 29.9172 -46.4967 -3.3377 GPRESSAVG: 4292200 -49.6498 47.3765 29.2638 47.8226 21.5079 -47.9466 31.8813 -44.7505 -3.43872 TIMING: 4292200 CPU: 12472.3, 0.00288642/step Wall: 12472.3, 0.00288642/step, 0.567501 hours remaining, 208.531250 MB of memory in use. ENERGY: 4292200 775.0513 2151.9714 1942.4301 106.6248 -206371.0766 17477.2462 0.0000 0.0000 34284.3684 -149633.3844 299.4139 -183917.7528 -149538.1634 298.4210 -182.4100 -149.2109 557072.4011 -10.4866 -10.5269 LDB: ============= START OF LOAD BALANCING ============== 12475.8 LDB: ============== END OF LOAD BALANCING =============== 12475.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12475.8 LDB: ============= START OF LOAD BALANCING ============== 12476.1 LDB: Largest compute 4848 load 0.028239 is 24.0% of average load 0.117709 LDB: Average compute 0.001742 is 1.5% of average load 0.117709 LDB: TIME 12476.1 LOAD: AVG 0.117709 MAX 0.177985 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 12476.1 LOAD: AVG 0.117709 MAX 0.177985 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 12476.1 LOAD: AVG 0.117709 MAX 0.177985 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12476.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12476.1 PRESSURE: 4292400 8.67055 -88.6062 15.825 -88.6053 101.138 90.6404 15.8247 90.641 65.4835 GPRESSURE: 4292400 88.6312 23.7529 -15.9045 -87.9229 90.1547 40.1089 -20.3222 23.908 104.182 PRESSAVG: 4292400 -12.356 18.8216 10.0469 18.8216 38.4051 -1.34259 10.0469 -1.34263 -8.43534 GPRESSAVG: 4292400 -13.99 16.6699 10.9916 18.4016 38.349 -3.09431 7.7405 0.440776 -7.49331 TIMING: 4292400 CPU: 12472.9, 0.00294486/step Wall: 12472.9, 0.00294486/step, 0.578829 hours remaining, 209.488281 MB of memory in use. ENERGY: 4292400 762.4859 2126.5611 1941.2712 116.3818 -206799.9029 17936.9413 0.0000 0.0000 34103.6913 -149812.5704 297.8360 -183916.2616 -149719.3239 297.5823 58.4306 94.3225 555517.2410 5.8713 5.6219 PRESSURE: 4292600 33.8384 -51.6693 39.0069 -51.6691 -144.267 -63.6125 39.0055 -63.6128 -112.703 GPRESSURE: 4292600 6.29974 -49.345 23.2076 -120.651 -91.6127 -4.79675 89.871 -57.523 -51.592 PRESSAVG: 4292600 -55.3292 -34.2447 39.3945 -34.2446 75.3616 -22.907 39.3945 -22.9069 -50.9589 GPRESSAVG: 4292600 -54.0968 -32.6496 38.8531 -35.4599 75.3825 -21.5755 40.5607 -25.705 -52.2574 TIMING: 4292600 CPU: 12473.5, 0.00288366/step Wall: 12473.5, 0.00288366/step, 0.566638 hours remaining, 209.691406 MB of memory in use. ENERGY: 4292600 786.6886 2110.8274 1946.9413 108.5945 -206821.2202 18051.6375 0.0000 0.0000 33985.1716 -149831.3592 296.8010 -183816.5308 -149742.9123 297.0259 -74.3773 -45.6350 557865.8878 -10.3088 -10.3239 PRESSURE: 4292800 142.85 -60.8345 126.526 -60.8337 -116.294 -103.69 126.525 -103.69 127.929 GPRESSURE: 4292800 164.144 -92.1992 115.581 -8.29648 -61.3673 -107.711 143.397 -68.5521 135.105 PRESSAVG: 4292800 -12.2539 10.4403 6.6999 10.4404 -82.7541 -40.6361 6.6999 -40.6361 40.4031 GPRESSAVG: 4292800 -13.5069 9.76461 5.30266 10.7637 -82.3012 -40.6162 5.19795 -40.3838 41.5509 TIMING: 4292800 CPU: 12474.1, 0.00288004/step Wall: 12474.1, 0.00288004/step, 0.565767 hours remaining, 209.691406 MB of memory in use. ENERGY: 4292800 755.5301 2112.2079 1977.8152 115.2165 -207129.0011 18219.8395 0.0000 0.0000 34212.5775 -149735.8144 298.7869 -183948.3919 -149640.2183 297.0311 51.4950 79.2938 557557.0586 -18.2016 -18.0857 PRESSURE: 4293000 -170.651 128.448 105.906 128.447 66.1563 -3.22838 105.906 -3.22701 -157.591 GPRESSURE: 4293000 -211.815 134.571 42.8741 103.143 111.313 -22.5687 63.8881 -84.4625 -82.5675 PRESSAVG: 4293000 -14.6013 -29.5664 27.2946 -29.5665 19.8428 -66.8995 27.2947 -66.8994 -0.23234 GPRESSAVG: 4293000 -14.7913 -28.8967 25.9417 -28.7668 19.0605 -66.2725 31.0574 -67.027 0.624251 TIMING: 4293000 CPU: 12474.6, 0.0028748/step Wall: 12474.6, 0.0028748/step, 0.564578 hours remaining, 209.691406 MB of memory in use. ENERGY: 4293000 737.6750 2147.4811 1942.5901 111.1469 -206776.6529 17862.9414 0.0000 0.0000 34235.8738 -149738.9447 298.9904 -183974.8184 -149637.7032 298.0852 -87.3617 -61.0229 557314.7318 1.6697 1.6311 PRESSURE: 4293200 -295.07 20.9237 -156.569 20.9245 -149.07 -39.8275 -156.568 -39.8265 -54.8134 GPRESSURE: 4293200 -232.265 -26.246 -94.1533 31.8241 -133.949 -24.9024 -212.563 1.41595 -30.2645 PRESSAVG: 4293200 -35.3565 11.5658 -6.41954 11.5658 40.1063 -56.362 -6.41947 -56.3621 -20.2339 GPRESSAVG: 4293200 -34.9234 13.0448 -3.35887 8.69594 39.7068 -55.1776 -9.24678 -56.7092 -19.9658 TIMING: 4293200 CPU: 12475.2, 0.00288801/step Wall: 12475.2, 0.00288801/step, 0.567012 hours remaining, 209.894531 MB of memory in use. ENERGY: 4293200 701.5969 2092.6888 1960.3257 108.9745 -206289.0268 17565.2789 0.0000 0.0000 34127.3190 -149732.8431 298.0424 -183860.1620 -149635.6677 298.2605 -166.3179 -132.1595 557605.0090 -5.1614 -5.0608 PRESSURE: 4293400 162.29 91.1374 127.006 91.1369 -58.259 177.318 127.006 177.318 -56.5617 GPRESSURE: 4293400 189.671 63.4802 211.618 117.558 -29.8428 132.18 67.2906 155.565 -23.846 PRESSAVG: 4293400 31.2896 -4.94176 -14.916 -4.94182 -2.10253 -25.5446 -14.9161 -25.5445 6.41416 GPRESSAVG: 4293400 33.7738 -6.59392 -14.7809 -2.2083 -1.61324 -26.9486 -15.4721 -24.4286 3.2114 TIMING: 4293400 CPU: 12475.8, 0.002896/step Wall: 12475.8, 0.002896/step, 0.56842 hours remaining, 209.894531 MB of memory in use. ENERGY: 4293400 730.2836 2062.9091 1941.6046 108.7078 -206496.6985 17852.1552 0.0000 0.0000 34019.6453 -149781.3929 297.1020 -183801.0382 -149681.0171 298.1235 15.8230 45.3276 556055.2304 11.8671 11.7907 PRESSURE: 4293600 -154.762 -31.4864 -164.713 -31.4872 120.913 -68.5036 -164.713 -68.5032 302.878 GPRESSURE: 4293600 -112.337 -78.8597 -216.18 0.0873408 198.776 -69.6876 -82.47 -28.9824 285.32 PRESSAVG: 4293600 41.3219 -18.2704 -8.68765 -18.2703 -36.6871 -5.41104 -8.68764 -5.41109 -1.62043 GPRESSAVG: 4293600 39.3787 -17.2124 -10.2171 -19.637 -35.9195 -8.41959 -7.23024 -4.53552 -0.311662 TIMING: 4293600 CPU: 12476.4, 0.00288621/step Wall: 12476.4, 0.00288621/step, 0.566339 hours remaining, 209.894531 MB of memory in use. ENERGY: 4293600 751.1297 2107.8469 1982.5172 115.2252 -206968.7978 18173.1858 0.0000 0.0000 34064.4598 -149774.4332 297.4934 -183838.8930 -149687.0414 297.5971 89.6762 123.9198 557358.1876 1.0048 1.0492 PRESSURE: 4293800 -57.2397 85.181 -45.2739 85.1823 20.1018 109.346 -45.2743 109.346 96.0577 GPRESSURE: 4293800 -71.3763 38.225 -51.5938 139.138 87.0394 87.9489 -76.6229 166.711 139.708 PRESSAVG: 4293800 20.4964 -2.46544 16.9049 -2.46538 12.0629 35.7162 16.905 35.7161 6.18823 GPRESSAVG: 4293800 20.8598 -3.72902 16.9802 -1.80001 10.2084 38.3683 15.4799 35.6981 6.698 TIMING: 4293800 CPU: 12477, 0.00289001/step Wall: 12477, 0.00289001/step, 0.566923 hours remaining, 209.894531 MB of memory in use. ENERGY: 4293800 743.2910 2097.3535 1961.8644 124.6076 -206852.1551 17998.7533 0.0000 0.0000 34067.6743 -149858.6110 297.5215 -183926.2853 -149767.9765 297.5775 19.6399 51.7904 557969.0560 12.9158 12.5887 PRESSURE: 4294000 -585.402 -44.522 81.0544 -44.5224 -90.765 63.4938 81.0541 63.4948 -349.279 GPRESSURE: 4294000 -518.074 19.4273 147.558 -98.3759 -72.5508 72.2447 67.8888 218.006 -334.886 PRESSAVG: 4294000 -50.0134 45.1766 -2.70795 45.1765 34.4297 25.5754 -2.70804 25.5754 18.352 GPRESSAVG: 4294000 -49.7691 44.619 -3.00454 45.5324 33.8118 26.3918 -2.67401 24.4527 18.2844 TIMING: 4294000 CPU: 12477.5, 0.00289056/step Wall: 12477.5, 0.00289056/step, 0.566871 hours remaining, 209.894531 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: 4294000 753.5161 2096.0393 1947.7714 124.1282 -206349.7131 17511.0953 0.0000 0.0000 33955.5483 -149961.6146 296.5422 -183917.1629 -149860.2894 296.5253 -341.8153 -308.5037 557552.4129 0.9227 0.7757 PRESSURE: 4294200 -236.447 -36.5585 18.6703 -36.5575 28.6899 17.9508 18.671 17.9516 -41.0439 GPRESSURE: 4294200 -223.614 -40.8814 31.6523 -46.0251 58.1238 -20.8911 95.3576 20.4662 20.9684 PRESSAVG: 4294200 15.0723 2.57894 -6.00253 2.57899 -49.5889 83.4662 -6.00252 83.4663 61.6163 GPRESSAVG: 4294200 15.1126 4.14892 -5.43485 2.18029 -48.9671 80.7472 -4.20511 83.7555 60.62 TIMING: 4294200 CPU: 12478.1, 0.00290487/step Wall: 12478.1, 0.00290487/step, 0.569515 hours remaining, 209.894531 MB of memory in use. ENERGY: 4294200 760.9185 2092.0467 1973.8346 103.5563 -206505.3008 17812.8306 0.0000 0.0000 33991.4158 -149770.6982 296.8555 -183762.1140 -149676.7353 297.1323 -82.9336 -48.1739 557227.7433 9.0332 8.9218 PRESSURE: 4294400 -117.268 117.813 33.2011 117.814 63.1653 150.109 33.2011 150.107 20.2367 GPRESSURE: 4294400 -109.476 171.892 77.606 40.0279 123.745 170.246 38.4732 106.112 58.6116 PRESSAVG: 4294400 -18.3478 35.5923 58.9763 35.5923 -5.10934 -16.6486 58.9762 -16.6486 -34.5937 GPRESSAVG: 4294400 -18.2768 35.7802 58.3713 35.0071 -4.23485 -14.911 58.7923 -15.9647 -35.6581 TIMING: 4294400 CPU: 12478.7, 0.00290545/step Wall: 12478.7, 0.00290545/step, 0.569468 hours remaining, 209.894531 MB of memory in use. ENERGY: 4294400 759.9180 2120.8031 1911.7236 121.1493 -206625.8422 17860.3550 0.0000 0.0000 34041.3530 -149810.5400 297.2916 -183851.8930 -149713.9049 297.2078 -11.2888 24.2936 556744.9015 -19.3503 -19.3899 PRESSURE: 4294600 -0.189007 -7.85348 -181.396 -7.85305 -18.8803 -93.5886 -181.396 -93.5879 -294.28 GPRESSURE: 4294600 56.8444 -46.7005 -190.278 -18.9728 -48.318 -33.6368 -164.9 -189.517 -231.094 PRESSAVG: 4294600 -25.5668 33.9884 -16.8216 33.9884 41.2078 -42.5214 -16.8216 -42.5213 -8.34238 GPRESSAVG: 4294600 -25.1551 33.8108 -17.8738 33.7145 41.003 -43.3028 -15.6681 -43.541 -8.20465 TIMING: 4294600 CPU: 12479.3, 0.00292286/step Wall: 12479.3, 0.00292286/step, 0.572719 hours remaining, 209.894531 MB of memory in use. ENERGY: 4294600 711.1629 2115.8499 1946.2879 103.7832 -206694.8463 17966.6730 0.0000 0.0000 33936.2789 -149914.8106 296.3740 -183851.0895 -149818.0124 296.9518 -104.4499 -74.1894 558625.5435 2.4329 2.5478 PRESSURE: 4294800 66.6088 92.2892 134.885 92.2905 -126.844 32.8061 134.884 32.8074 -44.3619 GPRESSURE: 4294800 147.801 104.342 73.9722 107.371 -96.4072 -11.3144 108.799 6.09325 -62.6458 PRESSAVG: 4294800 21.3782 3.22016 -22.4471 3.2202 -23.4898 -37.138 -22.4471 -37.1379 -0.221226 GPRESSAVG: 4294800 21.3917 1.54733 -20.2014 3.5696 -24.6636 -36.0416 -23.2749 -37.3266 1.50682 TIMING: 4294800 CPU: 12479.9, 0.00288708/step Wall: 12479.9, 0.00288708/step, 0.565548 hours remaining, 209.894531 MB of memory in use. ENERGY: 4294800 763.2090 2133.3383 1944.7074 121.1359 -206685.0222 17876.9831 0.0000 0.0000 34008.8648 -149836.7837 297.0079 -183845.6486 -149741.6383 297.4035 -34.8657 -3.7507 556082.9990 -0.7776 -0.5883 PRESSURE: 4295000 69.5849 -75.8208 332.246 -75.8213 -68.8282 -189.154 332.247 -189.153 -11.0146 GPRESSURE: 4295000 31.9254 -13.2814 309.519 -83.6775 -16.8043 -66.7772 393.794 -239.678 62.1133 PRESSAVG: 4295000 65.2571 38.2247 -0.461215 38.2247 -95.1572 -39.8577 -0.461194 -39.8577 -20.2358 GPRESSAVG: 4295000 64.3356 38.6188 -0.939997 37.7932 -93.6672 -41.07 0.252575 -37.0982 -20.8142 TIMING: 4295000 CPU: 12480.4, 0.00288889/step Wall: 12480.4, 0.00288889/step, 0.56574 hours remaining, 209.894531 MB of memory in use. ENERGY: 4295000 735.8561 2075.7682 1967.5269 114.8602 -206430.0432 17830.2699 0.0000 0.0000 34093.8792 -149611.8826 297.7503 -183705.7618 -149508.9936 297.5271 -3.4193 25.7448 556691.8192 -16.7119 -16.7153 PRESSURE: 4295200 -359.657 117.937 -92.3624 117.938 -402.942 136.09 -92.3611 136.09 -147.343 GPRESSURE: 4295200 -289.839 52.548 -122.595 151.192 -373.338 82.2093 -65.9507 167.209 -143.904 PRESSAVG: 4295200 27.4874 38.2987 2.03715 38.2988 -18.3435 21.9534 2.0372 21.9535 5.20374 GPRESSAVG: 4295200 27.5751 38.4119 1.60746 39.1525 -19.3917 23.4917 0.84568 21.0553 5.78337 TIMING: 4295200 CPU: 12481, 0.00288762/step Wall: 12481, 0.00288762/step, 0.565331 hours remaining, 209.894531 MB of memory in use. ENERGY: 4295200 739.0619 2099.9578 1957.6270 112.8456 -206058.7676 17409.6631 0.0000 0.0000 34244.7461 -149494.8661 299.0679 -183739.6122 -149393.1533 298.2332 -303.3143 -269.0269 556432.0865 4.7826 4.6556 PRESSURE: 4295400 -184.112 10.762 80.749 10.7615 212.51 -13.7303 80.7496 -13.7309 84.2563 GPRESSURE: 4295400 -170.892 64.6233 58.3652 -87.924 204.119 -101.998 87.6765 30.3952 171.094 PRESSAVG: 4295400 35.943 3.64818 8.01904 3.64831 74.9428 -3.63833 8.01904 -3.63837 -73.1837 GPRESSAVG: 4295400 36.3252 2.45935 7.91441 4.15956 75.3923 -4.25685 11.2555 -3.17746 -73.8141 TIMING: 4295400 CPU: 12481.6, 0.00289304/step Wall: 12481.6, 0.00289304/step, 0.566232 hours remaining, 209.894531 MB of memory in use. ENERGY: 4295400 742.2414 2113.5082 1979.8494 108.1576 -206418.7259 17731.1020 0.0000 0.0000 34174.3566 -149569.5107 298.4532 -183743.8674 -149474.4541 298.7876 37.5515 68.1071 554873.5682 12.5674 12.6345 PRESSURE: 4295600 45.257 -13.465 -37.7211 -13.466 -30.8577 231.433 -37.7222 231.431 -132.496 GPRESSURE: 4295600 39.9704 1.65087 -9.07231 -63.9175 61.6075 265.404 -53.8234 222.292 -123.014 PRESSAVG: 4295600 -17.4339 -31.0907 -16.9649 -31.0907 52.9958 24.7497 -16.9649 24.7495 -2.2344 GPRESSAVG: 4295600 -17.2897 -29.3959 -16.1707 -30.641 52.745 26.5314 -18.2104 24.333 -2.35344 TIMING: 4295600 CPU: 12482.2, 0.00290652/step Wall: 12482.2, 0.00290652/step, 0.56871 hours remaining, 209.894531 MB of memory in use. ENERGY: 4295600 714.0478 2111.4643 1961.7928 110.4816 -206406.2216 17751.8465 0.0000 0.0000 34129.4479 -149627.1407 298.0610 -183756.5886 -149531.9908 298.6309 -39.3657 -7.1453 556446.8820 11.1092 11.0340 PRESSURE: 4295800 -305.178 110.612 -32.1278 110.612 -287.311 122.296 -32.1273 122.295 115.735 GPRESSURE: 4295800 -196.295 98.2396 -73.501 34.6227 -244.119 130.407 -19.2181 96.4932 54.9801 PRESSAVG: 4295800 -41.0895 -49.0548 -32.4713 -49.0549 5.81662 -21.4216 -32.4714 -21.4216 2.13952 GPRESSAVG: 4295800 -41.5197 -51.4115 -34.4183 -48.5449 5.72082 -21.9473 -33.9562 -22.9541 2.46015 TIMING: 4295800 CPU: 12482.8, 0.00290267/step Wall: 12482.8, 0.00290268/step, 0.567796 hours remaining, 209.894531 MB of memory in use. ENERGY: 4295800 749.5228 2105.1532 1955.0639 113.4343 -206244.4778 17533.6884 0.0000 0.0000 34206.1627 -149581.4526 298.7309 -183787.6153 -149478.1262 298.5868 -158.9178 -128.4780 556830.9882 -11.0445 -11.1129 PRESSURE: 4296000 -46.1468 -46.7249 -81.0192 -46.7251 83.6565 -202.501 -81.0188 -202.502 52.8307 GPRESSURE: 4296000 -40.9901 -106.944 -136.097 44.297 121.24 -146.821 -8.7869 -150.835 100.516 PRESSAVG: 4296000 10.0864 43.9755 -31.2243 43.9755 0.138852 -29.4722 -31.2243 -29.4722 20.0893 GPRESSAVG: 4296000 10.8214 45.7697 -30.4559 42.4849 0.0477088 -31.4307 -32.4053 -29.7346 19.0981 TIMING: 4296000 CPU: 12483.3, 0.00291183/step Wall: 12483.3, 0.00291183/step, 0.569425 hours remaining, 209.894531 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: 4296000 739.6280 2105.5324 1968.2763 116.2709 -206484.6819 17793.0926 0.0000 0.0000 34309.5186 -149452.3631 299.6336 -183761.8817 -149354.7832 298.1379 30.1135 60.2553 557485.4339 10.1048 9.9891 PRESSURE: 4296200 75.5873 52.1917 -12.1639 52.1918 157.559 -30.7549 -12.1638 -30.7541 -103.989 GPRESSURE: 4296200 114.76 55.7049 54.7726 79.6352 164.79 -36.7591 -98.8331 -76.8699 -47.3089 PRESSAVG: 4296200 -16.4439 30.7643 -24.3223 30.7643 -1.20086 -85.4069 -24.3223 -85.4069 11.4316 GPRESSAVG: 4296200 -18.0295 28.8071 -22.9198 31.0046 -1.10916 -83.2358 -23.1236 -85.7353 12.6284 TIMING: 4296200 CPU: 12483.9, 0.00287565/step Wall: 12483.9, 0.00287565/step, 0.56219 hours remaining, 209.894531 MB of memory in use. ENERGY: 4296200 755.2596 2097.4341 1961.4013 114.2242 -206632.2742 18061.9106 0.0000 0.0000 34115.5682 -149526.4763 297.9397 -183642.0446 -149430.2389 298.8124 43.0525 77.4136 557363.8293 -2.0711 -2.1701 LDB: ============= START OF LOAD BALANCING ============== 12487.4 LDB: ============== END OF LOAD BALANCING =============== 12487.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12487.4 LDB: ============= START OF LOAD BALANCING ============== 12487.7 LDB: Largest compute 4848 load 0.026656 is 22.6% of average load 0.117880 LDB: Average compute 0.001741 is 1.5% of average load 0.117880 LDB: TIME 12487.7 LOAD: AVG 0.11788 MAX 0.178349 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 12487.7 LOAD: AVG 0.11788 MAX 0.178349 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: TIME 12487.7 LOAD: AVG 0.11788 MAX 0.178349 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.543 MB LDB: ============== END OF LOAD BALANCING =============== 12487.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12487.7 PRESSURE: 4296400 -24.7779 -53.5391 -74.9099 -53.5401 -302.881 -191.178 -74.9105 -191.177 -23.5968 GPRESSURE: 4296400 -28.8737 -86.5312 -22.5568 -65.3585 -226.817 -233.665 -119.107 -115.027 4.12723 PRESSAVG: 4296400 11.294 -37.2146 -46.9464 -37.2146 50.0641 -14.0812 -46.9464 -14.0811 -35.1048 GPRESSAVG: 4296400 12.0571 -37.3784 -47.0416 -36.0737 49.2285 -16.5495 -48.8462 -12.9433 -35.2477 TIMING: 4296400 CPU: 12484.5, 0.00294056/step Wall: 12484.5, 0.00294056/step, 0.574717 hours remaining, 206.843750 MB of memory in use. ENERGY: 4296400 761.9250 2099.0451 1983.6150 108.2582 -206464.3910 17888.8964 0.0000 0.0000 34209.0840 -149413.5672 298.7564 -183622.6512 -149321.7102 298.3405 -117.0851 -83.8545 557822.1115 8.7511 8.6793 PRESSURE: 4296600 34.9801 131.183 63.4598 131.183 265.863 39.2223 63.4605 39.223 -200.117 GPRESSURE: 4296600 99.5554 63.7641 -33.6921 94.4644 311.186 75.9916 74.2346 56.7603 -213.426 PRESSAVG: 4296600 10.8928 -62.1669 -30.3937 -62.1668 -5.78748 -25.0891 -30.3938 -25.0891 28.7888 GPRESSAVG: 4296600 11.1746 -60.464 -33.6533 -64.5872 -5.06341 -24.3858 -27.9859 -23.8089 27.7232 TIMING: 4296600 CPU: 12485.1, 0.00287791/step Wall: 12485.1, 0.00287791/step, 0.562311 hours remaining, 206.914062 MB of memory in use. ENERGY: 4296600 774.3633 2122.9254 1960.7358 108.2230 -206501.1087 17936.6677 0.0000 0.0000 34064.6967 -149533.4967 297.4955 -183598.1934 -149446.2118 298.4930 33.5753 65.7716 556498.3001 11.2980 11.2781 PRESSURE: 4296800 -277.369 38.7518 163.146 38.7528 126.216 15.2379 163.147 15.2369 -71.9373 GPRESSURE: 4296800 -245.491 -8.49057 134.556 46.9893 151.551 -19.5784 126.573 -42.9578 -42.7967 PRESSAVG: 4296800 25.772 -24.725 32.8077 -24.7249 93.2363 28.5906 32.8079 28.5907 -84.8125 GPRESSAVG: 4296800 26.7949 -25.6508 36.8194 -23.7649 92.5974 29.2462 31.5255 27.7273 -85.7043 TIMING: 4296800 CPU: 12485.7, 0.00287467/step Wall: 12485.7, 0.00287467/step, 0.561519 hours remaining, 206.914062 MB of memory in use. ENERGY: 4296800 739.2128 2098.5497 1965.3187 105.4775 -206320.3203 17896.3269 0.0000 0.0000 33984.2658 -149531.1688 296.7930 -183515.4346 -149444.0107 298.2982 -74.3637 -45.5787 557132.0802 11.3986 11.2293 PRESSURE: 4297000 37.4219 -121.389 1.09547 -121.391 -96.4291 44.629 1.09604 44.6287 49.4874 GPRESSURE: 4297000 37.3792 -22.403 30.1391 -141.239 -85.8272 155.051 -64.02 -1.48979 138.369 PRESSAVG: 4297000 4.35682 -41.6694 7.31187 -41.6694 35.1507 29.4058 7.31191 29.4057 -32.1409 GPRESSAVG: 4297000 2.7773 -41.2076 7.39818 -41.7042 36.6838 30.2728 6.6031 25.5145 -31.9183 TIMING: 4297000 CPU: 12486.2, 0.0028847/step Wall: 12486.2, 0.0028847/step, 0.563318 hours remaining, 206.914062 MB of memory in use. ENERGY: 4297000 742.6638 2154.9301 1979.6994 97.3125 -206137.1004 17656.0637 0.0000 0.0000 34090.4661 -149415.9649 297.7205 -183506.4309 -149326.4915 298.8296 -3.1733 29.9737 555620.0918 2.4555 2.5143 PRESSURE: 4297200 -210.999 -147.354 126.57 -147.354 -140.728 230.991 126.569 230.99 -148.419 GPRESSURE: 4297200 -208.654 -109.165 76.826 -134.095 -25.391 302.524 208.409 270.454 -159.561 PRESSAVG: 4297200 -38.5693 1.27896 15.7132 1.27898 -29.3309 74.937 15.7132 74.937 29.1568 GPRESSAVG: 4297200 -37.319 2.4552 12.4746 3.38673 -31.3295 74.4208 17.4681 77.6873 29.1961 TIMING: 4297200 CPU: 12486.8, 0.00290007/step Wall: 12486.8, 0.00290007/step, 0.566157 hours remaining, 206.914062 MB of memory in use. ENERGY: 4297200 772.1157 2120.5788 1962.5810 102.4831 -206450.6417 17678.9543 0.0000 0.0000 34400.9764 -149412.9524 300.4323 -183813.9288 -149312.5876 299.3440 -166.7153 -131.2020 558311.0045 -12.9144 -13.1508 PRESSURE: 4297400 174.879 15.1896 -17.6672 15.1892 -101.482 -30.8019 -17.6666 -30.8023 101.398 GPRESSURE: 4297400 227.082 -16.0586 11.6896 0.958227 -2.76569 -92.0538 -81.509 -12.4955 57.7159 PRESSAVG: 4297400 20.9169 0.627227 -25.195 0.627216 7.44619 22.7921 -25.1949 22.792 -17.1104 GPRESSAVG: 4297400 21.1097 -2.25633 -23.3234 -0.0846987 7.91557 24.9304 -27.0281 20.1603 -18.0972 TIMING: 4297400 CPU: 12487.4, 0.00290017/step Wall: 12487.4, 0.00290017/step, 0.566016 hours remaining, 206.914062 MB of memory in use. ENERGY: 4297400 762.1303 2093.4339 1982.0667 128.4289 -206567.8269 18135.7879 0.0000 0.0000 34056.4963 -149409.4828 297.4239 -183465.9791 -149318.8189 298.7203 58.2650 94.0108 557597.6365 3.7509 3.6427 PRESSURE: 4297600 140.578 91.3001 53.0547 91.3004 -134.558 46.302 53.0542 46.3014 49.1283 GPRESSURE: 4297600 148.589 76.5492 12.7833 127.238 -59.8223 -22.0607 90.5446 94.8537 64.7643 PRESSAVG: 4297600 60.1062 -2.21054 33.8131 -2.21062 37.9881 -7.87218 33.813 -7.87219 -18.5784 GPRESSAVG: 4297600 60.0048 0.330963 35.0491 -2.64815 37.2856 -11.4183 33.4206 -4.15083 -17.5013 TIMING: 4297600 CPU: 12488, 0.00288335/step Wall: 12488, 0.00288335/step, 0.562574 hours remaining, 206.914062 MB of memory in use. ENERGY: 4297600 770.6406 2109.2318 1969.9846 121.4797 -206821.1905 18309.3768 0.0000 0.0000 34364.2616 -149176.2153 300.1116 -183540.4770 -149074.3882 298.8681 18.3830 51.1770 559068.0699 26.5053 26.5964 PRESSURE: 4297800 -297.49 13.7814 110.063 13.7817 -333.79 123.414 110.063 123.415 -19.4921 GPRESSURE: 4297800 -245.702 10.2438 68.0651 17.8024 -320.07 161.588 162.392 36.919 13.645 PRESSAVG: 4297800 48.9 -53.0816 12.9207 -53.0815 21.1424 -23.7269 12.9207 -23.7271 -46.733 GPRESSAVG: 4297800 48.1399 -52.5446 13.2184 -53.8146 21.9359 -24.0682 15.282 -25.1982 -46.6393 TIMING: 4297800 CPU: 12488.5, 0.00288157/step Wall: 12488.5, 0.00288157/step, 0.562065 hours remaining, 206.914062 MB of memory in use. ENERGY: 4297800 766.5410 2080.5151 1976.1356 111.2921 -205938.7675 17639.1644 0.0000 0.0000 34337.8516 -149027.2678 299.8810 -183365.1194 -148932.5928 300.1636 -216.9240 -184.0423 559368.1084 7.7698 7.8122 PRESSURE: 4298000 -330.358 -35.9519 -143.091 -35.9507 73.1356 170.316 -143.092 170.316 -68.2804 GPRESSURE: 4298000 -302.197 -17.0994 -123.006 -64.9713 74.4629 157.947 -90.4688 172.07 11.3788 PRESSAVG: 4298000 -17.668 17.4622 -15.3413 17.4623 -27.4733 -25.4308 -15.3414 -25.4307 35.166 GPRESSAVG: 4298000 -17.1687 16.4338 -15.8256 17.7099 -27.6392 -25.2397 -16.9663 -24.266 34.1163 TIMING: 4298000 CPU: 12489.1, 0.00288899/step Wall: 12489.1, 0.00288899/step, 0.563353 hours remaining, 206.914062 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: 4298000 778.2216 2055.3048 1954.0580 116.1847 -206363.0787 18021.2398 0.0000 0.0000 34334.3367 -149103.7331 299.8503 -183438.0698 -149009.3842 299.8179 -108.5008 -72.1185 558568.6391 -3.3251 -3.5639 PRESSURE: 4298200 -316.988 38.7028 -36.9858 38.7025 -237.106 113.652 -36.9859 113.652 3.34964 GPRESSURE: 4298200 -275.391 28.7038 -50.7922 49.0063 -202.197 58.9743 -39.6561 163.642 20.1587 PRESSAVG: 4298200 -9.22241 16.0045 -33.2264 16.0045 -44.7694 50.1987 -33.2264 50.1986 68.1187 GPRESSAVG: 4298200 -10.3126 16.7689 -33.1703 16.6286 -45.7545 51.684 -32.6281 49.622 70.4829 TIMING: 4298200 CPU: 12489.7, 0.0028697/step Wall: 12489.7, 0.0028697/step, 0.559432 hours remaining, 206.914062 MB of memory in use. ENERGY: 4298200 779.0029 2095.2181 1959.8253 103.8766 -206111.1125 17734.2825 0.0000 0.0000 34195.3526 -149243.5545 298.6365 -183438.9071 -149145.7892 298.9678 -183.5815 -152.4763 558999.6832 4.7090 4.8053 PRESSURE: 4298400 -121.6 -85.3556 32.5148 -85.3567 218.266 48.5048 32.5148 48.5043 -159.145 GPRESSURE: 4298400 -62.0077 -19.7154 17.5246 -131.244 222.941 66.1724 -6.31706 65.4095 -130.634 PRESSAVG: 4298400 -18.3246 -14.1571 -40.9838 -14.1572 -50.9192 22.6104 -40.9837 22.6104 13.008 GPRESSAVG: 4298400 -17.7675 -13.9113 -40.3019 -13.7166 -49.3906 22.8581 -41.876 21.9684 10.8647 TIMING: 4298400 CPU: 12490.3, 0.00288637/step Wall: 12490.3, 0.00288637/step, 0.562521 hours remaining, 206.914062 MB of memory in use. ENERGY: 4298400 735.7930 2113.1539 1957.2613 109.4445 -206133.7057 17847.9355 0.0000 0.0000 34207.4519 -149162.6656 298.7422 -183370.1175 -149060.3682 298.5586 -20.8262 10.1000 557683.4879 -18.7453 -18.7645 PRESSURE: 4298600 -225.639 -140.478 12.5326 -140.477 24.5968 -153.61 12.5339 -153.611 -46.422 GPRESSURE: 4298600 -193.756 -56.3209 -2.34446 -301.338 59.7519 -62.9228 1.4723 -158.327 -7.2146 PRESSAVG: 4298600 -17.9434 4.76189 26.9627 4.76186 48.8443 19.2529 26.9627 19.2531 -40.5882 GPRESSAVG: 4298600 -17.375 4.35281 24.5086 3.67503 47.5906 18.5987 26.8741 20.2123 -40.1905 TIMING: 4298600 CPU: 12490.9, 0.00289193/step Wall: 12490.9, 0.00289194/step, 0.563445 hours remaining, 206.914062 MB of memory in use. ENERGY: 4298600 761.0100 2097.4557 1959.9607 110.3279 -205961.5403 17668.9554 0.0000 0.0000 34367.9878 -148995.8428 300.1442 -183363.8306 -148898.1915 299.9958 -82.4880 -47.0730 557825.8952 -3.2291 -3.3250 PRESSURE: 4298800 -177.555 70.633 85.7638 70.6329 -106.867 15.0465 85.7642 15.0462 -20.6095 GPRESSURE: 4298800 -120.734 90.0935 16.1263 89.3191 -133.319 9.49358 69.7285 -3.85675 47.2951 PRESSAVG: 4298800 -9.63291 60.4224 -8.35207 60.4225 68.2722 -14.8795 -8.35211 -14.8796 -11.5994 GPRESSAVG: 4298800 -9.75806 60.4123 -8.43707 61.1193 69.0037 -14.8753 -7.82043 -14.3837 -11.5398 TIMING: 4298800 CPU: 12491.4, 0.00289614/step Wall: 12491.4, 0.00289614/step, 0.564103 hours remaining, 206.914062 MB of memory in use. ENERGY: 4298800 709.1318 2107.7016 1940.7692 108.2406 -206044.1012 17573.3017 0.0000 0.0000 34471.4221 -149133.5342 301.0475 -183604.9564 -149042.8637 300.0184 -101.6773 -68.9194 556797.8095 15.6800 15.9019 PRESSURE: 4299000 154.866 -24.4847 14.8578 -24.4843 117.238 -125.609 14.8566 -125.608 51.6704 GPRESSURE: 4299000 141.989 -15.8943 -18.2598 -51.8013 204.981 -74.5696 25.1141 -136.843 75.1394 PRESSAVG: 4299000 -10.7583 9.4486 15.9655 9.44856 18.7073 17.0262 15.9654 17.0262 -40.8234 GPRESSAVG: 4299000 -11.4766 10.085 16.3565 8.5655 19.6245 17.3917 17.2163 15.7615 -40.651 TIMING: 4299000 CPU: 12492, 0.00290001/step Wall: 12492, 0.00290001/step, 0.564697 hours remaining, 206.914062 MB of memory in use. ENERGY: 4299000 755.0007 2058.1092 1958.2324 115.8336 -206244.1137 17890.1474 0.0000 0.0000 34327.0499 -149139.7405 299.7867 -183466.7904 -149039.7216 299.4472 107.9246 140.7032 556434.1024 -10.9581 -10.8344 PRESSURE: 4299200 83.0608 102.105 -19.8466 102.105 52.8746 -35.936 -19.846 -35.9353 101.122 GPRESSURE: 4299200 116.063 104.719 20.6028 62.6912 136.04 0.469106 -36.6368 -51.9179 75.987 PRESSAVG: 4299200 12.0786 40.0179 -22.6417 40.0178 -30.3429 -1.85411 -22.6417 -1.85402 53.5318 GPRESSAVG: 4299200 11.6757 38.5143 -22.3113 40.8551 -31.0068 -2.04597 -21.9493 -2.80727 54.418 TIMING: 4299200 CPU: 12492.6, 0.00288578/step Wall: 12492.6, 0.00288578/step, 0.561765 hours remaining, 206.914062 MB of memory in use. ENERGY: 4299200 723.8293 2144.8706 1976.6851 116.1252 -206378.5456 17990.1610 0.0000 0.0000 34254.5942 -149172.2803 299.1539 -183426.8745 -149079.2271 299.6586 79.0191 109.3634 557046.0718 11.7558 11.6956 PRESSURE: 4299400 124.482 -31.151 185.556 -31.1506 52.5453 -162.922 185.556 -162.922 184.404 GPRESSURE: 4299400 181.754 -5.79187 176.78 -59.6801 135.419 -194.35 161.046 -99.7027 144.986 PRESSAVG: 4299400 21.9857 6.30701 14.1412 6.307 -12.9843 -47.0591 14.1411 -47.0589 8.92684 GPRESSAVG: 4299400 23.6868 6.1654 13.4757 5.10722 -13.4504 -46.5194 12.8326 -46.0334 7.43654 TIMING: 4299400 CPU: 12493.2, 0.00290323/step Wall: 12493.2, 0.00290323/step, 0.565001 hours remaining, 206.914062 MB of memory in use. ENERGY: 4299400 714.9739 2121.4486 1968.0171 115.4615 -206147.7593 17918.3944 0.0000 0.0000 34083.9169 -149225.5468 297.6633 -183309.4637 -149134.0330 299.1853 120.4771 154.0531 557546.3030 5.9761 5.8910 PRESSURE: 4299600 -66.7396 101.66 -79.0419 101.66 241.023 18.3044 -79.0409 18.3046 -60.6632 GPRESSURE: 4299600 -31.1887 110.828 -150.766 100.046 217.64 100.49 -95.6789 -28.4333 39.1751 PRESSAVG: 4299600 5.0806 -43.2299 0.834148 -43.2299 -8.35931 27.0576 0.834177 27.0577 -19.6828 GPRESSAVG: 4299600 3.70846 -41.1167 1.15546 -43.6071 -8.21012 28.9589 0.923761 26.163 -18.8796 TIMING: 4299600 CPU: 12493.7, 0.00290269/step Wall: 12493.7, 0.00290269/step, 0.564735 hours remaining, 206.914062 MB of memory in use. ENERGY: 4299600 763.5692 2115.3601 1979.7725 125.0200 -206247.9163 17790.8020 0.0000 0.0000 34155.6605 -149317.7320 298.2899 -183473.3925 -149217.0979 298.7006 37.8734 75.2089 557196.4683 -7.6538 -7.7937 PRESSURE: 4299800 20.9366 -85.8341 -20.566 -85.8337 206.515 28.4798 -20.566 28.4814 340.1 GPRESSURE: 4299800 132.37 -84.862 -44.2017 -143.602 220.891 -1.13341 16.3833 43.157 298.583 PRESSAVG: 4299800 21.3484 1.35365 30.8036 1.35374 -27.7775 36.556 30.8036 36.556 18.7558 GPRESSAVG: 4299800 21.2886 -0.154183 31.6179 2.75853 -27.8464 32.413 31.2048 37.8462 18.7908 TIMING: 4299800 CPU: 12494.3, 0.00289232/step Wall: 12494.3, 0.00289232/step, 0.562557 hours remaining, 206.914062 MB of memory in use. ENERGY: 4299800 740.0406 2081.8382 1962.5113 119.6684 -206514.9730 18097.2958 0.0000 0.0000 34109.2144 -149404.4043 297.8843 -183513.6187 -149304.0492 298.3801 189.1838 217.2812 557489.0559 4.1089 4.0777 PRESSURE: 4300000 11.8196 36.9139 -0.466461 36.9143 -42.6753 76.0895 -0.467997 76.0888 -184.239 GPRESSURE: 4300000 75.7448 -20.4773 52.6488 151.074 -71.0413 142.699 78.6331 -6.52258 -119.944 PRESSAVG: 4300000 22.6953 -7.10416 17.0254 -7.10415 -16.8993 -7.18093 17.0254 -7.18094 -23.2862 GPRESSAVG: 4300000 23.3358 -6.4733 18.5789 -7.10571 -16.1319 -7.95363 17.821 -5.20361 -24.4204 TIMING: 4300000 CPU: 12494.9, 0.00289309/step Wall: 12494.9, 0.00289309/step, 0.562546 hours remaining, 206.914062 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: 4300000 780.8919 2084.2520 1967.7613 109.7100 -206941.7371 17994.8639 0.0000 0.0000 34368.2804 -149635.9775 300.1467 -184004.2579 -149533.5224 298.0879 -71.6983 -38.4134 556764.3079 -5.8301 -5.7388 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.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 -46.9091 -25.0456 -31.0617 -25.0462 33.3559 -105.394 -31.0626 -105.394 -210.631 GPRESSURE: 4300200 -65.787 38.2383 -63.2946 -24.2369 111.398 -210.802 -103.041 -62.9103 -165.31 PRESSAVG: 4300200 49.9334 13.9436 54.722 13.9437 -12.7574 22.8319 54.722 22.8318 -35.497 GPRESSAVG: 4300200 48.879 14.5403 53.8171 13.2014 -13.2031 24.4599 53.1755 19.4312 -34.5559 TIMING: 4300200 CPU: 12495.5, 0.00298942/step Wall: 12495.5, 0.00298942/step, 0.58111 hours remaining, 206.914062 MB of memory in use. ENERGY: 4300200 747.9641 2079.8553 1980.9697 117.7635 -206260.2752 17571.2439 0.0000 0.0000 34209.6796 -149552.7991 298.7616 -183762.4787 -149456.0508 299.0007 -74.7282 -39.8998 557093.9630 0.5596 0.3733 LDB: ============= START OF LOAD BALANCING ============== 12499 LDB: ============== END OF LOAD BALANCING =============== 12499 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12499 LDB: ============= START OF LOAD BALANCING ============== 12499.3 LDB: Largest compute 4848 load 0.026393 is 22.4% of average load 0.117795 LDB: Average compute 0.001739 is 1.5% of average load 0.117795 LDB: TIME 12499.3 LOAD: AVG 0.117795 MAX 0.179716 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 12499.3 LOAD: AVG 0.117795 MAX 0.179716 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: TIME 12499.3 LOAD: AVG 0.117795 MAX 0.179716 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: ============== END OF LOAD BALANCING =============== 12499.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12499.3 PRESSURE: 4300400 72.6772 -84.2582 12.4845 -84.2592 14.9748 -59.9116 12.4846 -59.9118 50.2267 GPRESSURE: 4300400 78.4972 25.8293 22.5402 -168.846 6.31147 -21.6624 22.0351 -50.1733 140.04 PRESSAVG: 4300400 31.1006 -2.64803 17.5039 -2.64803 25.4937 -26.8185 17.5038 -26.8185 -51.6365 GPRESSAVG: 4300400 31.4409 -4.11558 16.6026 -2.35034 25.1716 -24.5195 18.975 -25.7628 -51.2322 TIMING: 4300400 CPU: 12496.1, 0.00296856/step Wall: 12496.1, 0.00296856/step, 0.57689 hours remaining, 207.214844 MB of memory in use. ENERGY: 4300400 770.9356 2082.0418 1984.8779 109.3343 -206410.9270 17823.8829 0.0000 0.0000 34133.8230 -149506.0315 298.0992 -183639.8545 -149403.7549 298.5751 45.9596 74.9496 555630.1236 1.6526 1.7935 PRESSURE: 4300600 -48.9577 49.4295 88.053 49.4303 -104.51 -209.771 88.0535 -209.771 33.5825 GPRESSURE: 4300600 5.05275 83.2432 32.4792 9.88972 -45.7742 -215.144 100.431 -204.837 18.17 PRESSAVG: 4300600 42.4968 -52.5191 -1.57329 -52.5191 -51.3452 -38.1825 -1.57326 -38.1824 12.1289 GPRESSAVG: 4300600 42.5779 -50.9784 0.8259 -54.2405 -50.2004 -41.6136 -3.48524 -39.1453 11.1542 TIMING: 4300600 CPU: 12496.7, 0.00289612/step Wall: 12496.7, 0.00289612/step, 0.562652 hours remaining, 207.214844 MB of memory in use. ENERGY: 4300600 734.1470 2115.1787 1950.3419 113.2745 -206270.2671 17887.2023 0.0000 0.0000 34114.2532 -149355.8695 297.9283 -183470.1227 -149261.7153 298.4310 -39.9618 -7.5172 557512.0437 1.0935 1.1772 PRESSURE: 4300800 -144.803 -129.753 6.27601 -129.753 -276.019 -139.65 6.27666 -139.651 -434.988 GPRESSURE: 4300800 -97.6935 -115.836 27.4785 -207.48 -291.7 -158.283 37.7997 -80.1095 -379.574 PRESSAVG: 4300800 -58.49 -3.40411 39.74 -3.40405 3.73044 -41.6697 39.74 -41.6697 45.5569 GPRESSAVG: 4300800 -57.5505 -5.92039 38.1646 -0.0104117 3.5963 -40.3969 39.6279 -40.0839 44.5916 TIMING: 4300800 CPU: 12497.3, 0.00290863/step Wall: 12497.3, 0.00290863/step, 0.56492 hours remaining, 207.214844 MB of memory in use. ENERGY: 4300800 772.6293 2109.8577 1944.7292 111.2135 -205948.5477 17353.2836 0.0000 0.0000 34192.9877 -149463.8468 298.6159 -183656.8345 -149372.8766 298.4173 -285.2700 -256.3225 558154.5056 -3.0675 -3.1209 PRESSURE: 4301000 37.3763 -20.6181 -72.2262 -20.6179 -184.931 -73.5558 -72.2265 -73.5542 -271.747 GPRESSURE: 4301000 59.2128 -8.61421 -112.116 1.85407 -134.315 -104.771 -29.1465 -91.7089 -238.962 PRESSAVG: 4301000 47.5934 -21.6486 13.6161 -21.6487 -18.0374 -0.28714 13.6161 -0.287053 -32.2957 GPRESSAVG: 4301000 48.2668 -22.0464 12.5052 -24.0672 -19.5376 -0.650574 15.5648 -1.07252 -31.5561 TIMING: 4301000 CPU: 12497.8, 0.00290056/step Wall: 12497.8, 0.00290056/step, 0.563191 hours remaining, 207.214844 MB of memory in use. ENERGY: 4301000 749.8117 2057.9543 1942.9774 115.2346 -206031.5504 17545.8648 0.0000 0.0000 34267.5563 -149352.1513 299.2671 -183619.7076 -149252.8099 298.1833 -139.7673 -104.6880 555266.1808 -0.9132 -0.9423 PRESSURE: 4301200 84.4673 41.8951 -46.2649 41.8948 -36.4864 44.8218 -46.2654 44.8216 -185.351 GPRESSURE: 4301200 152.3 31.9466 -76.0649 10.6822 16.147 78.475 2.76899 -47.1087 -213.987 PRESSAVG: 4301200 32.301 -39.2777 -26.7243 -39.2778 -43.602 -6.76533 -26.7244 -6.76526 45.4779 GPRESSAVG: 4301200 32.245 -38.9539 -26.5671 -37.0538 -42.8448 -5.14103 -25.611 -7.66235 44.4084 TIMING: 4301200 CPU: 12498.4, 0.00289994/step Wall: 12498.4, 0.00289994/step, 0.562911 hours remaining, 207.214844 MB of memory in use. ENERGY: 4301200 745.4868 2057.6260 1939.6891 115.8682 -206095.9697 17748.8623 0.0000 0.0000 34229.8887 -149258.5486 298.9381 -183488.4373 -149175.4335 299.3689 -45.7901 -15.1800 556737.1298 11.3923 11.2695 PRESSURE: 4301400 431.45 51.5783 -40.1949 51.5803 185.131 202.329 -40.1946 202.329 310.877 GPRESSURE: 4301400 469.344 60.6264 -85.1056 114.386 197.561 156.258 18.6365 262.591 355.671 PRESSAVG: 4301400 -15.9061 17.2829 23.8021 17.2829 -29.5012 80.5738 23.8021 80.5737 10.4477 GPRESSAVG: 4301400 -17.1397 18.6425 25.27 16.6685 -28.4212 79.5037 21.7703 81.766 10.2787 TIMING: 4301400 CPU: 12499, 0.00288477/step Wall: 12499, 0.00288477/step, 0.559806 hours remaining, 207.214844 MB of memory in use. ENERGY: 4301400 768.7267 2083.6596 1967.4955 105.2496 -206806.0524 18373.6012 0.0000 0.0000 34429.8415 -149077.4782 300.6844 -183507.3197 -148986.2447 299.6636 309.1529 340.8587 556237.1338 -11.6532 -11.7607 PRESSURE: 4301600 160.237 30.3973 110.338 30.3995 -253.026 6.82559 110.339 6.82582 147.009 GPRESSURE: 4301600 171.854 1.68112 141.167 41.9151 -202.05 30.4876 67.44 -93.0128 181.105 PRESSAVG: 4301600 8.55039 7.99327 22.5558 7.9933 20.5033 6.8972 22.5557 6.89714 7.66741 GPRESSAVG: 4301600 8.96183 7.80582 21.2255 7.65299 19.1093 6.33746 21.9034 7.00167 8.25805 TIMING: 4301600 CPU: 12499.6, 0.00289293/step Wall: 12499.6, 0.00289293/step, 0.561228 hours remaining, 207.214844 MB of memory in use. ENERGY: 4301600 741.5651 2078.7904 1970.2395 118.9036 -206306.7447 17802.3856 0.0000 0.0000 34616.3380 -148978.5226 302.3131 -183594.8605 -148878.6535 300.4449 18.0735 50.3029 556198.1622 12.2404 12.1097 PRESSURE: 4301800 167.643 21.3957 77.5565 21.3971 -78.4619 154.807 77.5558 154.806 250.904 GPRESSURE: 4301800 190.395 95.9106 205.377 -35.3341 -51.2843 138.465 34.3534 165.605 293.227 PRESSAVG: 4301800 21.3833 -48.5386 19.1982 -48.5386 -22.9793 33.3117 19.1982 33.3118 53.7876 GPRESSAVG: 4301800 21.7214 -48.5079 19.0671 -48.035 -23.5999 33.4754 20.9401 34.7673 53.7681 TIMING: 4301800 CPU: 12500.2, 0.0029164/step Wall: 12500.2, 0.0029164/step, 0.565619 hours remaining, 207.214844 MB of memory in use. ENERGY: 4301800 740.4072 2046.7676 1959.1646 126.2985 -206186.5445 17917.6884 0.0000 0.0000 34289.4688 -149106.7494 299.4585 -183396.2182 -149011.7540 300.0961 113.3619 144.1127 557779.8350 17.3972 17.2965 PRESSURE: 4302000 173.167 10.0081 101.267 10.0079 278.155 -50.608 101.268 -50.6069 79.7431 GPRESSURE: 4302000 187.033 -69.1077 75.9491 2.31239 377.689 -69.4574 171.355 -25.353 58.7964 PRESSAVG: 4302000 -9.20567 4.44409 62.0118 4.44419 -20.6843 36.0551 62.0118 36.0551 38.7133 GPRESSAVG: 4302000 -10.1517 5.38549 61.8018 3.37036 -19.9589 35.8421 61.9695 33.9712 38.1401 TIMING: 4302000 CPU: 12500.7, 0.00290199/step Wall: 12500.7, 0.00290199/step, 0.562663 hours remaining, 207.214844 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: 4302000 741.9744 2079.2977 1934.5794 112.6304 -206055.8007 17961.2585 0.0000 0.0000 34285.8600 -148940.2003 299.4269 -183226.0602 -148846.1278 298.9023 177.0216 207.8396 558491.7256 2.9411 2.6765 PRESSURE: 4302200 24.443 -30.3078 37.5418 -30.3073 -240.046 -0.366329 37.5427 -0.364617 -187.262 GPRESSURE: 4302200 -8.13995 -42.2188 66.777 -80.4561 -126.386 49.6163 127.251 -13.006 -186.724 PRESSAVG: 4302200 75.4224 -13.2769 32.6869 -13.277 7.60339 -23.0954 32.687 -23.0955 -42.6296 GPRESSAVG: 4302200 75.1765 -12.3641 32.6309 -13.7327 7.62889 -23.8916 33.2102 -21.9024 -41.5706 TIMING: 4302200 CPU: 12501.3, 0.00288254/step Wall: 12501.3, 0.00288254/step, 0.558732 hours remaining, 207.214844 MB of memory in use. ENERGY: 4302200 727.7631 2102.3485 1991.7930 129.9672 -206042.4511 17694.1511 0.0000 0.0000 34425.1120 -148971.3162 300.6431 -183396.4282 -148883.1424 299.6727 -134.2883 -107.0832 558452.4006 13.4654 13.7449 PRESSURE: 4302400 -169.422 149.446 -86.2875 149.445 171.302 -67.6645 -86.287 -67.6668 -201.781 GPRESSURE: 4302400 -127.303 -11.717 -19.1565 155.668 171.34 -88.0888 -157.284 -116.961 -139.129 PRESSAVG: 4302400 20.8381 5.43497 45.1812 5.435 27.0397 -13.149 45.1812 -13.1491 -2.40662 GPRESSAVG: 4302400 20.731 3.08281 43.3647 7.32515 27.1605 -11.5749 45.8089 -12.617 -3.17243 TIMING: 4302400 CPU: 12501.9, 0.00288946/step Wall: 12501.9, 0.00288946/step, 0.559912 hours remaining, 207.214844 MB of memory in use. ENERGY: 4302400 749.7294 2042.1918 1984.2967 119.8855 -205856.1971 17888.5232 0.0000 0.0000 34238.0929 -148833.4777 299.0098 -183071.5706 -148737.4104 299.3382 -66.6334 -31.6974 560916.5804 15.1571 14.9063 PRESSURE: 4302600 -150.125 83.7101 113.885 83.7093 -79.2167 71.5889 113.885 71.5892 245.079 GPRESSURE: 4302600 -137.097 80.205 107.581 92.4429 -33.3927 93.9782 109.486 56.8917 287.052 PRESSAVG: 4302600 -24.8334 15.6561 44.6695 15.6561 -4.09745 -75.9431 44.6695 -75.9432 25.025 GPRESSAVG: 4302600 -24.6534 18.2416 47.6128 15.2511 -4.74916 -77.057 42.8302 -74.9253 24.9049 TIMING: 4302600 CPU: 12502.5, 0.00289149/step Wall: 12502.5, 0.00289149/step, 0.560145 hours remaining, 207.214844 MB of memory in use. ENERGY: 4302600 751.6732 2069.1786 1953.7758 118.5688 -206477.5183 18016.2741 0.0000 0.0000 34410.5518 -149157.4960 300.5159 -183568.0478 -149065.9426 299.4348 5.2458 38.8540 559342.4193 -1.3019 -1.4992 PRESSURE: 4302800 -129.369 -136.684 42.9357 -136.684 -178.694 224.606 42.9385 224.607 -153.106 GPRESSURE: 4302800 -93.9708 -130.753 26.3948 -172.762 -143.158 250.649 28.4638 111.456 -131.923 PRESSAVG: 4302800 -64.962 -15.0778 30.8435 -15.0778 0.498918 -4.72857 30.8435 -4.7286 58.7175 GPRESSAVG: 4302800 -65.1451 -17.2669 30.1773 -14.9937 0.527865 -3.03681 30.4534 -6.98419 58.3761 TIMING: 4302800 CPU: 12503, 0.00288912/step Wall: 12503, 0.00288912/step, 0.559527 hours remaining, 207.214844 MB of memory in use. ENERGY: 4302800 704.1442 2103.1830 1958.9304 109.9176 -205947.7931 17517.0444 0.0000 0.0000 34255.7992 -149298.7743 299.1644 -183554.5735 -149198.6375 298.7703 -153.7233 -123.0171 557958.1057 -1.9152 -2.0804 PRESSURE: 4303000 -95.0725 111.78 79.259 111.778 -17.4091 3.37124 79.2576 3.37037 -4.62628 GPRESSURE: 4303000 -34.0445 142.424 106.247 74.5001 -43.4769 -39.5888 118.295 11.7837 59.8541 PRESSAVG: 4303000 19.6123 2.55574 39.6078 2.55573 -16.179 26.9621 39.6077 26.962 1.07922 GPRESSAVG: 4303000 19.7696 4.00343 39.4466 3.89249 -16.9565 27.3769 41.0542 28.3953 2.12794 TIMING: 4303000 CPU: 12503.6, 0.00288432/step Wall: 12503.6, 0.00288432/step, 0.558437 hours remaining, 207.214844 MB of memory in use. ENERGY: 4303000 742.5362 2085.3005 1965.3421 103.8226 -206679.9372 18082.1381 0.0000 0.0000 34171.7078 -149529.0898 298.4300 -183700.7977 -149428.7355 298.4335 -39.0359 -5.8891 557435.6157 1.5042 1.6470 PRESSURE: 4303200 71.0728 139.008 -46.2694 139.007 -168.573 -70.3504 -46.2706 -70.3501 68.0124 GPRESSURE: 4303200 88.1214 113.317 -41.424 102.937 -103.239 -42.7209 -59.4717 -138.94 90.0781 PRESSAVG: 4303200 -6.76024 17.8001 32.9885 17.8002 -4.00359 -3.34328 32.9885 -3.34327 46.8331 GPRESSAVG: 4303200 -5.29084 17.5188 32.2091 16.3314 -4.22535 -3.50027 31.9186 -5.42802 46.0908 TIMING: 4303200 CPU: 12504.2, 0.00286989/step Wall: 12504.2, 0.00286989/step, 0.555482 hours remaining, 207.214844 MB of memory in use. ENERGY: 4303200 714.9007 2083.2121 1951.1867 118.5118 -206524.4678 17932.0469 0.0000 0.0000 34129.6359 -149594.9737 298.0626 -183724.6097 -149496.3884 298.3285 -9.8294 24.9867 557552.8381 12.0231 12.1915 PRESSURE: 4303400 -58.9088 -1.47171 108.261 -1.47429 -263.918 38.4415 108.26 38.4433 -118.242 GPRESSURE: 4303400 -57.2495 -24.6417 169.629 -45.9935 -217.963 -42.8392 164.591 22.7823 -62.4278 PRESSAVG: 4303400 -59.5172 6.69747 0.0785728 6.69737 34.0046 -32.2287 0.0785584 -32.2286 31.6161 GPRESSAVG: 4303400 -61.3683 8.53902 1.19109 5.43524 34.602 -33.8533 0.285182 -31.7366 33.1594 TIMING: 4303400 CPU: 12504.8, 0.00286365/step Wall: 12504.8, 0.00286365/step, 0.554116 hours remaining, 207.214844 MB of memory in use. ENERGY: 4303400 741.8715 2033.6032 1998.1405 98.0840 -206264.4920 17750.6714 0.0000 0.0000 34129.4968 -149512.6246 298.0614 -183642.1214 -149414.9143 297.5736 -147.0228 -112.5469 557843.3879 2.0345 2.1310 PRESSURE: 4303600 -190.865 -23.0878 21.5685 -23.0875 -178.373 -58.6841 21.5687 -58.6848 -254.393 GPRESSURE: 4303600 -132.416 21.6102 -71.5726 -15.2622 -137.145 -35.4131 33.2483 -17.5303 -245.167 PRESSAVG: 4303600 59.652 5.35326 -57.7937 5.35325 -97.5987 5.66979 -57.7938 5.66973 3.45964 GPRESSAVG: 4303600 60.3507 3.78853 -56.8882 8.53438 -96.7172 5.4807 -59.3093 9.23115 2.41552 TIMING: 4303600 CPU: 12505.3, 0.00287162/step Wall: 12505.3, 0.00287162/step, 0.555498 hours remaining, 207.214844 MB of memory in use. ENERGY: 4303600 743.5557 2144.2165 1974.8897 103.4579 -206269.5533 17761.5966 0.0000 0.0000 34062.7299 -149479.1071 297.4783 -183541.8370 -149386.2629 297.7338 -207.8772 -171.5759 560641.3048 -11.4957 -11.3170 PRESSURE: 4303800 238.033 51.005 62.2952 51.0063 192.072 -99.6617 62.2944 -99.6615 -30.5048 GPRESSURE: 4303800 253.465 23.4997 6.21392 91.2608 250.361 -9.81293 118.764 -93.8645 -9.96225 PRESSAVG: 4303800 6.00773 -22.5773 23.5743 -22.5773 -51.0002 39.4181 23.5742 39.418 41.7809 GPRESSAVG: 4303800 5.57094 -22.645 22.6222 -23.9583 -50.5817 38.6978 23.8996 37.5419 41.5225 TIMING: 4303800 CPU: 12505.9, 0.00286602/step Wall: 12505.9, 0.00286602/step, 0.554256 hours remaining, 207.507812 MB of memory in use. ENERGY: 4303800 737.7582 2088.3524 1969.0464 97.9247 -206942.8375 18143.1809 0.0000 0.0000 34340.6770 -149565.8980 299.9057 -183906.5750 -149463.2688 298.0134 133.2000 164.6211 556683.5979 -1.0705 -1.1628 PRESSURE: 4304000 89.3838 156.727 117.72 156.727 -327.619 70.9103 117.72 70.9104 -142.552 GPRESSURE: 4304000 27.6809 180.541 13.7437 141.849 -238.716 50.0302 161.182 -16.617 -75.4108 PRESSAVG: 4304000 -47.6675 27.3726 22.8888 27.3725 -7.40726 25.9141 22.8888 25.9141 69.9134 GPRESSAVG: 4304000 -46.697 29.1951 22.6804 25.6534 -8.45968 28.6791 23.8611 23.2288 70.0069 TIMING: 4304000 CPU: 12506.5, 0.0028935/step Wall: 12506.5, 0.0028935/step, 0.55941 hours remaining, 207.507812 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: 4304000 743.2037 2096.4785 1988.9767 114.0710 -206520.7638 17659.1779 0.0000 0.0000 34380.5155 -149538.3405 300.2536 -183918.8560 -149446.9750 298.1254 -126.9290 -95.4821 557094.6624 4.9462 4.9501 PRESSURE: 4304200 162.437 -63.2594 -4.73329 -63.2599 -235.873 -45.9398 -4.73313 -45.9394 65.9543 GPRESSURE: 4304200 203.72 -3.47483 -85.8553 -142.562 -156.857 -18.1643 -19.6531 -91.6149 39.6042 PRESSAVG: 4304200 2.06115 -9.83651 84.8404 -9.83654 -61.2166 -29.2541 84.8404 -29.2541 77.2211 GPRESSAVG: 4304200 2.48505 -10.4068 84.4856 -9.10977 -62.0047 -32.4703 85.4226 -24.6594 77.6562 TIMING: 4304200 CPU: 12507.1, 0.00286973/step Wall: 12507.1, 0.00286973/step, 0.554654 hours remaining, 207.507812 MB of memory in use. ENERGY: 4304200 789.8198 2095.9876 1949.6643 117.8075 -206437.3008 17948.6678 0.0000 0.0000 34165.4929 -149369.8608 298.3757 -183535.3538 -149276.3901 298.8254 -2.4936 28.8225 557545.5777 6.0219 6.0455 LDB: ============= START OF LOAD BALANCING ============== 12510.5 LDB: ============== END OF LOAD BALANCING =============== 12510.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510.5 LDB: ============= START OF LOAD BALANCING ============== 12510.8 LDB: Largest compute 4848 load 0.026832 is 22.8% of average load 0.117739 LDB: Average compute 0.001736 is 1.5% of average load 0.117739 LDB: TIME 12510.8 LOAD: AVG 0.117739 MAX 0.178766 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.441 MB LDB: TIME 12510.8 LOAD: AVG 0.117739 MAX 0.178766 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: TIME 12510.8 LOAD: AVG 0.117739 MAX 0.178766 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12510.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12510.8 PRESSURE: 4304400 -78.2136 63.4674 172.7 63.4679 217.29 4.78749 172.701 4.78696 341.819 GPRESSURE: 4304400 -25.1631 50.2927 160.906 89.2183 226.884 51.5694 122.11 -77.8687 378.055 PRESSAVG: 4304400 2.49682 -1.23441 9.97629 -1.23441 -47.0682 -22.2834 9.97632 -22.2835 71.2819 GPRESSAVG: 4304400 2.52727 -2.62482 12.6252 -0.620348 -46.7519 -19.4604 9.36459 -24.1615 70.8455 TIMING: 4304400 CPU: 12507.7, 0.00294006/step Wall: 12507.7, 0.00294006/step, 0.568084 hours remaining, 206.382812 MB of memory in use. ENERGY: 4304400 720.9722 2028.8566 1961.6797 115.6585 -206138.6311 17814.2498 0.0000 0.0000 34258.8816 -149238.3328 299.1913 -183497.2144 -149137.9132 298.8255 160.2985 193.2586 555953.8809 8.9035 8.8736 PRESSURE: 4304600 -144.841 78.5667 115.859 78.5672 4.81726 151.126 115.86 151.125 -113.221 GPRESSURE: 4304600 -65.2826 22.6963 170.193 111.602 35.1254 173.448 66.0634 175.557 -119.834 PRESSAVG: 4304600 -11.1752 58.2146 3.2225 58.2145 -62.0525 -44.3722 3.2225 -44.3721 92.7466 GPRESSAVG: 4304600 -11.0535 55.9397 4.36988 60.3048 -62.836 -44.4175 1.64443 -45.1427 93.6191 TIMING: 4304600 CPU: 12508.2, 0.00291095/step Wall: 12508.2, 0.00291095/step, 0.562298 hours remaining, 206.640625 MB of memory in use. ENERGY: 4304600 724.8126 2063.6893 1983.6296 128.5388 -206185.0941 17700.6415 0.0000 0.0000 34372.1292 -149211.6531 300.1804 -183583.7823 -149109.6395 298.9076 -84.4150 -49.9971 556820.5815 6.5063 6.5765 PRESSURE: 4304800 -60.8833 140.603 126.814 140.601 -19.5774 5.34793 126.814 5.349 -95.2528 GPRESSURE: 4304800 -77.9287 81.3309 159.61 157.502 30.0239 8.58872 131.458 -67.1037 -42.0263 PRESSAVG: 4304800 -21.1439 36.2339 56.6019 36.2338 31.0097 -40.1681 56.6019 -40.1681 -27.0611 GPRESSAVG: 4304800 -22.2399 38.5601 56.254 35.1097 32.3505 -41.0397 56.1799 -39.3251 -27.9726 TIMING: 4304800 CPU: 12508.8, 0.00289229/step Wall: 12508.8, 0.00289229/step, 0.558533 hours remaining, 206.640625 MB of memory in use. ENERGY: 4304800 751.4939 2073.7310 1937.8309 109.7997 -206001.0543 17771.3797 0.0000 0.0000 34375.9836 -148980.8355 300.2140 -183356.8190 -148888.0771 299.1685 -58.5712 -29.9770 558288.1884 -5.7318 -5.9540 PRESSURE: 4305000 55.5736 -110.16 -178.932 -110.161 -131.449 14.2361 -178.932 14.2379 -68.1922 GPRESSURE: 4305000 41.0567 -128.213 -316.52 -44.8452 -45.0712 50.3137 -83.8627 -15.6545 -50.5498 PRESSAVG: 4305000 -48.4517 -20.7049 10.9399 -20.7049 -5.99182 27.0467 10.9399 27.0467 43.0268 GPRESSAVG: 4305000 -49.3511 -22.6087 9.66016 -18.5186 -6.03116 25.794 12.3578 25.5947 43.8031 TIMING: 4305000 CPU: 12509.4, 0.002876/step Wall: 12509.4, 0.002876/step, 0.555227 hours remaining, 206.640625 MB of memory in use. ENERGY: 4305000 763.6147 2076.3610 1956.6223 116.0254 -205799.9175 17522.5531 0.0000 0.0000 34439.3137 -148925.4275 300.7671 -183364.7412 -148825.8514 299.8955 -48.0225 -18.1881 556775.3680 -3.8056 -3.8597 PRESSURE: 4305200 50.265 -25.042 136.599 -25.042 26.5413 24.2754 136.599 24.2757 255.036 GPRESSURE: 4305200 54.2168 -64.4585 159.713 39.9148 73.2892 -17.0328 122.73 22.8798 303.604 PRESSAVG: 4305200 64.3905 -83.0689 54.6297 -83.0689 -103.801 36.7478 54.6298 36.7478 45.588 GPRESSAVG: 4305200 65.8123 -81.2817 53.4877 -86.1691 -103.772 39.8603 55.1757 36.6097 43.3982 TIMING: 4305200 CPU: 12510, 0.00288476/step Wall: 12510, 0.00288476/step, 0.556759 hours remaining, 206.640625 MB of memory in use. ENERGY: 4305200 724.2993 2057.5301 1928.9356 102.1261 -206150.2948 17942.4705 0.0000 0.0000 34448.9440 -148945.9892 300.8512 -183394.9332 -148847.0330 299.2156 110.6141 143.7034 557556.1949 2.0592 1.8129 PRESSURE: 4305400 -191.072 117.976 98.2937 117.977 -144.308 -45.9666 98.2947 -45.9659 -261.117 GPRESSURE: 4305400 -137.551 101.59 136.713 136.466 -189.168 -27.9732 161.499 -39.9301 -171.386 PRESSAVG: 4305400 -32.8234 12.4301 14.4737 12.4301 -9.91897 36.8414 14.4736 36.8416 19.4459 GPRESSAVG: 4305400 -34.049 11.2973 15.049 12.3996 -10.8987 34.2707 13.9961 38.1889 22.4277 TIMING: 4305400 CPU: 12510.6, 0.00291008/step Wall: 12510.6, 0.00291008/step, 0.561483 hours remaining, 206.640625 MB of memory in use. ENERGY: 4305400 748.8901 2133.3756 1938.8840 100.9423 -205560.9921 17284.8526 0.0000 0.0000 34435.8464 -148918.2011 300.7368 -183354.0475 -148832.9949 299.7976 -198.8322 -166.0348 558343.4802 -7.7655 -7.5067 PRESSURE: 4305600 -334.264 -193.234 79.257 -193.233 -353.486 -65.0161 79.2575 -65.0149 -168.612 GPRESSURE: 4305600 -301.253 -106.25 91.7577 -258.899 -315.873 -71.5086 99.3022 -44.7446 -132.224 PRESSAVG: 4305600 -109.981 8.61294 8.91993 8.61312 92.6867 9.67449 8.92002 9.67449 45.9626 GPRESSAVG: 4305600 -108.963 8.84181 9.46409 10.6699 93.7909 10.9272 10.0179 9.56812 43.8221 TIMING: 4305600 CPU: 12511.1, 0.0028924/step Wall: 12511.1, 0.0028924/step, 0.557912 hours remaining, 206.710938 MB of memory in use. ENERGY: 4305600 731.9072 2114.5187 1960.0536 104.0645 -205341.1227 17280.6511 0.0000 0.0000 34326.7059 -148823.2216 299.7837 -183149.9276 -148727.2050 300.5789 -285.4542 -249.7834 558897.2671 9.5562 9.5499 PRESSURE: 4305800 -79.7683 34.8242 164.169 34.8237 -77.5531 -113.068 164.17 -113.068 -31.2058 GPRESSURE: 4305800 6.83141 -32.688 104.075 26.692 -28.8254 -68.0577 152.339 -211.865 -80.6913 PRESSAVG: 4305800 -45.1893 -36.3008 -22.1806 -36.3008 3.83547 -2.7355 -22.1807 -2.73553 6.08908 GPRESSAVG: 4305800 -43.6959 -34.0178 -23.7645 -37.5482 2.31369 -3.61305 -21.8956 -4.71195 6.62512 TIMING: 4305800 CPU: 12511.7, 0.00289359/step Wall: 12511.7, 0.00289359/step, 0.55798 hours remaining, 206.710938 MB of memory in use. ENERGY: 4305800 727.5213 2152.4478 1926.5306 109.7757 -206011.7112 17737.4521 0.0000 0.0000 34558.6176 -148799.3661 301.8090 -183357.9836 -148703.8299 300.3553 -62.8424 -34.2285 559536.1733 -11.7549 -11.5857 PRESSURE: 4306000 -4.49478 -100.54 -11.1224 -100.539 -16.392 -60.0149 -11.1208 -60.0152 -259.295 GPRESSURE: 4306000 4.14077 -77.3388 -42.5226 -139.963 18.1962 -29.1276 0.832685 -84.7591 -201.076 PRESSAVG: 4306000 -28.6098 2.14748 -27.1981 2.14748 46.2833 -80.2828 -27.1981 -80.2828 -61.5285 GPRESSAVG: 4306000 -29.7966 -0.411562 -26.3057 3.1886 46.9926 -80.2134 -27.4642 -78.1242 -61.6281 TIMING: 4306000 CPU: 12512.3, 0.00289618/step Wall: 12512.3, 0.00289618/step, 0.558319 hours remaining, 206.710938 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: 4306000 759.1310 2144.7134 1940.9909 102.2395 -205597.4639 17569.1734 0.0000 0.0000 34261.1247 -148820.0909 299.2109 -183081.2156 -148723.3710 300.7466 -93.3941 -59.5797 558013.5639 -14.6183 -14.8107 PRESSURE: 4306200 -126.46 -102.008 -96.3103 -102.007 0.685587 -209.468 -96.3101 -209.467 14.1732 GPRESSURE: 4306200 -83.5972 -140.553 -126.135 -0.14673 17.9843 -230.697 -102.596 -131.481 48.9744 PRESSAVG: 4306200 -4.48504 -18.4305 -27.813 -18.4306 10.1053 14.9023 -27.8131 14.9023 -0.16345 GPRESSAVG: 4306200 -3.99056 -16.943 -28.2544 -19.2091 9.94267 14.9148 -28.7282 16.1765 -0.86464 TIMING: 4306200 CPU: 12512.9, 0.0028975/step Wall: 12512.9, 0.0028975/step, 0.558413 hours remaining, 206.710938 MB of memory in use. ENERGY: 4306200 776.4435 2075.5448 1935.1793 111.9810 -205759.9587 17792.2517 0.0000 0.0000 34235.8350 -148832.7233 298.9901 -183068.5584 -148736.7144 300.4277 -37.2005 -5.5462 557217.0046 1.8189 1.6958 PRESSURE: 4306400 197.851 172.283 -39.7798 172.282 -233.868 37.5811 -39.7796 37.5817 -217.846 GPRESSURE: 4306400 237.491 168.131 -120.616 145.672 -192.339 11.2247 -8.38322 34.0729 -208.952 PRESSAVG: 4306400 69.7494 -60.2218 -25.5896 -60.2219 -3.4649 -35.8607 -25.5896 -35.8608 -38.1733 GPRESSAVG: 4306400 69.0058 -60.6409 -26.5689 -62.1467 -3.61611 -34.1876 -23.7551 -37.4975 -37.1664 TIMING: 4306400 CPU: 12513.5, 0.00289759/step Wall: 12513.5, 0.00289759/step, 0.558269 hours remaining, 206.710938 MB of memory in use. ENERGY: 4306400 768.3138 2078.1922 1942.3257 118.7464 -205733.5829 17480.9023 0.0000 0.0000 34263.8788 -149081.2237 299.2350 -183345.1025 -148993.4552 299.7003 -84.6208 -54.6000 556923.7637 9.3704 9.4077 PRESSURE: 4306600 -200.507 1.16312 13.156 1.16312 -45.1454 -36.2966 13.1554 -36.2952 15.3053 GPRESSURE: 4306600 -139.438 -74.634 -0.623853 -42.9513 -27.5411 -107.09 6.84378 -21.1877 29.1661 PRESSAVG: 4306600 -0.221993 -34.3328 -33.6136 -34.3329 -51.1467 -63.5221 -33.6136 -63.5222 20.5669 GPRESSAVG: 4306600 0.694143 -32.8988 -30.8539 -33.4605 -51.8583 -65.562 -35.8047 -62.3932 20.7815 TIMING: 4306600 CPU: 12514, 0.00289529/step Wall: 12514, 0.00289529/step, 0.557665 hours remaining, 206.710938 MB of memory in use. ENERGY: 4306600 784.9887 2090.2344 1943.5186 109.5541 -205828.9577 17567.9262 0.0000 0.0000 34239.9621 -149092.7736 299.0261 -183332.7357 -148997.0452 299.7659 -76.7825 -45.9377 556729.4227 -10.2673 -10.1275 PRESSURE: 4306800 -225.923 27.0632 -166.541 27.0623 -80.1428 -62.9973 -166.541 -62.9964 -282.375 GPRESSURE: 4306800 -178.159 -6.49585 -139.801 29.286 -14.9759 -91.5431 -162.864 -51.3954 -298.785 PRESSAVG: 4306800 26.1364 -63.8689 -4.46429 -63.8689 -7.15215 -19.6616 -4.46428 -19.6617 -18.5079 GPRESSAVG: 4306800 26.5295 -65.4776 -4.24695 -62.4516 -6.57681 -18.1973 -4.49979 -20.5442 -19.8212 TIMING: 4306800 CPU: 12514.6, 0.00290449/step Wall: 12514.6, 0.00290449/step, 0.559275 hours remaining, 206.710938 MB of memory in use. ENERGY: 4306800 739.7442 2085.9530 1971.8443 120.2166 -205987.8913 17637.7084 0.0000 0.0000 34207.6929 -149224.7320 298.7443 -183432.4248 -149130.9085 299.2770 -196.1468 -163.9734 558840.4375 0.1588 0.0438 PRESSURE: 4307000 -146.359 70.7334 19.6896 70.7325 -346.606 -64.2903 19.6901 -64.2914 -240.221 GPRESSURE: 4307000 -108.952 -13.7525 25.8526 158.147 -311.031 -125.823 53.8721 -3.06617 -219.891 PRESSAVG: 4307000 -54.0584 19.539 -8.255 19.5391 3.28497 18.6286 -8.25498 18.6286 16.6146 GPRESSAVG: 4307000 -55.1243 20.1289 -7.63895 18.7123 3.0143 17.7338 -9.15206 18.3382 17.9723 TIMING: 4307000 CPU: 12515.2, 0.00290555/step Wall: 12515.2, 0.00290555/step, 0.559318 hours remaining, 206.710938 MB of memory in use. ENERGY: 4307000 760.0692 2093.8241 1932.0485 102.8766 -205920.6188 17413.1603 0.0000 0.0000 34239.6483 -149378.9919 299.0234 -183618.6402 -149282.3834 299.1039 -244.3954 -213.2915 557725.4718 -11.3862 -11.3792 PRESSURE: 4307200 33.1749 -119.134 -126.63 -119.133 -101.087 71.7033 -126.631 71.7049 0.396041 GPRESSURE: 4307200 78.3846 -149.623 -48.43 -50.3886 -112.275 82.3118 -102.968 109.582 75.2985 PRESSAVG: 4307200 1.4186 -20.0281 6.64091 -20.0282 27.9962 46.83 6.64099 46.8301 -38.8264 GPRESSAVG: 4307200 2.20966 -20.7133 3.74134 -19.8383 27.3097 47.6129 9.31202 47.213 -39.6656 TIMING: 4307200 CPU: 12515.8, 0.0029089/step Wall: 12515.8, 0.0029089/step, 0.559802 hours remaining, 206.710938 MB of memory in use. ENERGY: 4307200 717.7834 2132.2896 1921.8121 107.4939 -206071.3073 17754.1280 0.0000 0.0000 34355.9737 -149081.8265 300.0393 -183437.8002 -148989.4995 299.5696 -22.5053 13.8026 558028.9873 -3.1372 -3.3821 PRESSURE: 4307400 167.472 34.2781 -106.091 34.2774 342.647 -58.2055 -106.09 -58.2046 84.4691 GPRESSURE: 4307400 216.705 56.1451 -58.0196 76.7367 348.107 -87.1716 -109.307 -78.2051 117.219 PRESSAVG: 4307400 55.6126 -10.7332 12.2246 -10.7333 61.4421 -52.4345 12.2247 -52.4345 -63.8098 GPRESSAVG: 4307400 54.2365 -9.50233 13.7419 -11.0947 62.7396 -53.6952 11.2128 -51.0592 -63.9638 TIMING: 4307400 CPU: 12516.4, 0.00293313/step Wall: 12516.4, 0.00293313/step, 0.564302 hours remaining, 206.953125 MB of memory in use. ENERGY: 4307400 690.1435 2093.5770 1949.6303 115.8495 -206138.5798 17893.8711 0.0000 0.0000 34291.2342 -149104.2741 299.4739 -183395.5083 -149006.1786 299.4735 198.1960 227.3436 557134.8946 17.7483 17.6708 PRESSURE: 4307600 -311.12 13.3166 -36.152 13.3157 -11.3156 207.924 -36.1532 207.924 76.9002 GPRESSURE: 4307600 -289.328 0.0950292 72.2671 67.6637 -11.6559 124.161 -80.1225 247.927 144.274 PRESSAVG: 4307600 15.1654 25.2078 -6.4595 25.2078 -4.42801 -43.6104 -6.45948 -43.6104 -7.57708 GPRESSAVG: 4307600 15.9299 25.3523 -5.04089 24.2655 -5.91164 -44.0222 -8.38773 -45.1953 -6.29832 TIMING: 4307600 CPU: 12516.9, 0.00290237/step Wall: 12516.9, 0.00290237/step, 0.558222 hours remaining, 206.953125 MB of memory in use. ENERGY: 4307600 757.0013 2097.8020 1925.5714 118.3698 -205964.0096 17815.5968 0.0000 0.0000 34182.8152 -149066.8532 298.5270 -183249.6684 -148967.4198 298.6531 -81.8452 -52.2366 556992.0575 1.0534 1.2400 PRESSURE: 4307800 94.992 20.9145 -178.12 20.9149 -21.8854 123.623 -178.12 123.623 228.608 GPRESSURE: 4307800 118.023 72.7522 -287.388 42.3714 13.8862 56.8413 -179.081 133.884 272.178 PRESSAVG: 4307800 -35.4233 12.8262 -27.4675 12.8261 37.1247 -6.1435 -27.4675 -6.14337 -10.9781 GPRESSAVG: 4307800 -35.2555 12.9667 -27.727 13.8607 38.5895 -6.15357 -25.5089 -5.60127 -12.5038 TIMING: 4307800 CPU: 12517.5, 0.00289122/step Wall: 12517.5, 0.00289122/step, 0.555918 hours remaining, 206.953125 MB of memory in use. ENERGY: 4307800 756.5057 2105.6458 1939.2477 116.1991 -206309.5304 18032.5568 0.0000 0.0000 34169.5376 -149189.8378 298.4111 -183359.3753 -149095.3168 298.6171 100.5717 134.6957 556824.2721 -3.0922 -3.0566 PRESSURE: 4308000 -136.4 -133.531 -67.8041 -133.531 -146.167 153.125 -67.8039 153.124 -83.0682 GPRESSURE: 4308000 -131.717 -119.83 -61.6414 -182.419 -78.5136 125.094 -43.4191 152.791 -57.6232 PRESSAVG: 4308000 -0.461255 -19.7134 -41.7591 -19.7134 7.87435 11.4994 -41.7591 11.4995 -9.02633 GPRESSAVG: 4308000 -0.0499411 -22.6421 -42.9004 -17.7947 7.13019 12.4337 -43.4452 9.49052 -8.78301 TIMING: 4308000 CPU: 12518.1, 0.00287838/step Wall: 12518.1, 0.00287838/step, 0.553289 hours remaining, 206.953125 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: 4308000 757.0256 2123.9741 1919.4030 123.0468 -206034.0956 17673.7366 0.0000 0.0000 34252.0545 -149184.8551 299.1317 -183436.9096 -149099.7823 298.9704 -121.8783 -89.2847 557746.0821 -0.5377 -0.5676 PRESSURE: 4308200 -63.2826 85.9353 153.416 85.9371 -207.187 -7.08271 153.415 -7.08237 46.5577 GPRESSURE: 4308200 9.43801 136.898 169.527 61.0906 -210.192 -28.0137 225.856 52.0603 70.1407 PRESSAVG: 4308200 -46.5659 4.85809 -31.3629 4.85821 42.2213 41.3959 -31.3628 41.3958 21.6613 GPRESSAVG: 4308200 -46.7453 6.30932 -29.9548 3.97449 42.6827 41.8107 -30.1449 41.5797 21.877 TIMING: 4308200 CPU: 12518.7, 0.00288588/step Wall: 12518.7, 0.00288588/step, 0.55457 hours remaining, 206.953125 MB of memory in use. ENERGY: 4308200 702.7210 2093.0185 1924.7164 115.9422 -206266.3942 17618.1157 0.0000 0.0000 34411.5213 -149400.3590 300.5244 -183811.8804 -149307.4527 298.7631 -74.6374 -43.5377 558310.5733 5.7723 5.9381 LDB: ============= START OF LOAD BALANCING ============== 12522.1 LDB: ============== END OF LOAD BALANCING =============== 12522.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.1 LDB: ============= START OF LOAD BALANCING ============== 12522.4 LDB: Largest compute 4848 load 0.026981 is 22.9% of average load 0.117778 LDB: Average compute 0.001736 is 1.5% of average load 0.117778 LDB: TIME 12522.4 LOAD: AVG 0.117778 MAX 0.179054 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.898 MB LDB: TIME 12522.4 LOAD: AVG 0.117778 MAX 0.179054 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 12522.4 LOAD: AVG 0.117778 MAX 0.179054 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: ============== END OF LOAD BALANCING =============== 12522.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12522.4 PRESSURE: 4308400 -98.3233 155.578 19.9816 155.578 -17.2044 121.054 19.9809 121.054 -55.1583 GPRESSURE: 4308400 -89.0848 120.775 62.4571 104.329 20.0283 132.508 -54.7407 102.735 0.480417 PRESSAVG: 4308400 56.9064 -14.5306 46.7768 -14.5306 34.8343 -12.6069 46.7768 -12.6068 -69.8259 GPRESSAVG: 4308400 56.6361 -12.7541 46.1789 -15.6107 35.1875 -13.0874 47.3259 -13.3221 -70.0329 TIMING: 4308400 CPU: 12519.3, 0.00294944/step Wall: 12519.3, 0.00294944/step, 0.56662 hours remaining, 206.644531 MB of memory in use. ENERGY: 4308400 740.8607 2144.2783 1937.2042 109.0590 -206278.1508 17864.7345 0.0000 0.0000 34164.1589 -149317.8552 298.3641 -183482.0141 -149227.9271 298.9804 -56.8953 -22.8587 558035.5469 7.3049 7.2635 PRESSURE: 4308600 287.927 -2.28025 202.69 -2.28004 215.039 88.9783 202.691 88.9782 103.052 GPRESSURE: 4308600 305.963 74.2904 119.769 -59.8071 200.741 65.9832 268.992 94.4848 196.838 PRESSAVG: 4308600 0.349952 -6.79681 8.50139 -6.79675 56.3032 47.9918 8.50137 47.9918 -41.0722 GPRESSAVG: 4308600 0.446343 -9.5361 7.63045 -6.06786 54.866 49.2222 7.27951 48.0925 -38.9546 TIMING: 4308600 CPU: 12519.8, 0.00288464/step Wall: 12519.8, 0.00288464/step, 0.554011 hours remaining, 206.847656 MB of memory in use. ENERGY: 4308600 720.2903 2100.4911 1961.7068 112.0317 -206607.2057 18014.9166 0.0000 0.0000 34337.4389 -149360.3304 299.8774 -183697.7693 -149268.8627 299.2305 202.0059 234.5141 556450.5690 5.1936 5.4526 PRESSURE: 4308800 -292.596 -165.738 -92.9996 -165.738 18.8881 -50.6661 -92.9981 -50.6657 -291.44 GPRESSURE: 4308800 -277.913 -176.861 -127.156 -60.6472 48.8754 -47.9593 -79.5694 -126.567 -244.826 PRESSAVG: 4308800 4.89919 2.55718 -17.4775 2.55711 -1.12762 -13.0963 -17.4775 -13.0963 -2.45923 GPRESSAVG: 4308800 5.08573 4.23105 -17.8531 3.536 0.0999288 -14.9428 -16.4891 -13.0746 -3.99273 TIMING: 4308800 CPU: 12520.4, 0.00288407/step Wall: 12520.4, 0.00288407/step, 0.553742 hours remaining, 206.847656 MB of memory in use. ENERGY: 4308800 785.5566 2173.8778 1965.8483 116.9209 -205968.9545 17503.6092 0.0000 0.0000 34161.6746 -149261.4671 298.3424 -183423.1417 -149169.2587 299.2857 -188.3827 -157.9544 556870.5901 0.4374 0.3976 PRESSURE: 4309000 -125.355 -134.737 47.7844 -134.737 271.735 -77.9753 47.7863 -77.9755 58.0917 GPRESSURE: 4309000 -35.1796 -90.5965 19.9851 -195.903 264.26 -55.8941 6.69186 -68.7976 64.5458 PRESSAVG: 4309000 -13.5087 -33.5542 -37.2556 -33.5541 37.2111 -72.6942 -37.2555 -72.6943 -34.3954 GPRESSAVG: 4309000 -14.1452 -34.0497 -37.446 -37.2586 38.0314 -72.2893 -39.3785 -72.5504 -34.5922 TIMING: 4309000 CPU: 12521, 0.00287966/step Wall: 12521, 0.00287966/step, 0.552734 hours remaining, 206.847656 MB of memory in use. ENERGY: 4309000 751.8832 2147.5048 1982.9224 121.6627 -206701.7500 18054.2060 0.0000 0.0000 34326.9962 -149316.5747 299.7862 -183643.5709 -149227.0082 299.0201 68.1573 97.8755 556405.5149 -3.5643 -3.5686 PRESSURE: 4309200 127.76 -162.394 22.0615 -162.394 -19.9423 43.1708 22.0618 43.1711 -97.3895 GPRESSURE: 4309200 157.745 -142.928 -20.2842 -175.902 21.3887 27.6781 34.0782 73.0417 -71.9274 PRESSAVG: 4309200 39.2716 -0.242094 -5.81494 -0.242057 25.4922 17.6224 -5.81483 17.6225 -31.5397 GPRESSAVG: 4309200 38.3231 0.00626479 -5.50127 1.46731 26.0155 17.4898 -4.27446 18.2265 -31.0017 TIMING: 4309200 CPU: 12521.6, 0.00289222/step Wall: 12521.6, 0.00289222/step, 0.554984 hours remaining, 206.847656 MB of memory in use. ENERGY: 4309200 760.0260 2096.8732 1952.1875 116.0649 -206088.5303 17743.5386 0.0000 0.0000 34144.5861 -149275.2541 298.1932 -183419.8402 -149180.6590 299.1926 3.4760 35.7355 557051.3068 11.0747 11.1123 PRESSURE: 4309400 128.153 39.8175 -192.002 39.8181 109.125 -61.1476 -192.002 -61.1492 -135.111 GPRESSURE: 4309400 106.399 44.5238 -236.168 -1.82638 139.513 -14.1606 -102.635 -66.8279 -41.1433 PRESSAVG: 4309400 14.8089 -15.402 7.30382 -15.4019 -11.0258 -17.6454 7.3038 -17.6453 -19.9973 GPRESSAVG: 4309400 15.577 -16.6186 6.69837 -15.0314 -11.4903 -17.7115 7.53802 -15.298 -20.6844 TIMING: 4309400 CPU: 12522.2, 0.00290775/step Wall: 12522.2, 0.00290775/step, 0.557803 hours remaining, 206.847656 MB of memory in use. ENERGY: 4309400 762.8266 2152.3170 1947.8980 116.9678 -206440.2345 17884.1985 0.0000 0.0000 34297.8915 -149278.1352 299.5320 -183576.0267 -149186.0637 298.3209 34.0556 68.2564 557950.4793 -5.4047 -5.5325 PRESSURE: 4309600 73.6467 45.9298 180.863 45.9313 -209.109 30.3876 180.863 30.3861 -353.317 GPRESSURE: 4309600 73.3138 -5.19116 149.719 -32.158 -159.292 -48.2125 250.169 59.6504 -327.207 PRESSAVG: 4309600 56.3615 -6.47587 3.52259 -6.47586 -48.3854 5.99189 3.52259 5.99194 1.08094 GPRESSAVG: 4309600 55.514 -5.97432 4.23963 -8.01786 -48.5539 2.11818 4.20763 6.45198 2.4741 TIMING: 4309600 CPU: 12522.7, 0.00291326/step Wall: 12522.7, 0.00291326/step, 0.558698 hours remaining, 206.847656 MB of memory in use. ENERGY: 4309600 777.7226 2081.9136 1952.5912 109.1731 -206278.9528 17799.9968 0.0000 0.0000 34174.9496 -149382.6060 298.4583 -183557.5555 -149283.1212 298.6180 -162.9264 -137.7283 559088.2665 3.0190 3.1447 PRESSURE: 4309800 -117.183 11.4321 22.6832 11.4323 162.502 -7.53737 22.6824 -7.53717 -293.529 GPRESSURE: 4309800 -99.3727 -68.0743 82.8256 18.5528 186.215 -10.9652 -72.9303 23.5267 -248.732 PRESSAVG: 4309800 -30.3961 -19.4002 56.4369 -19.4002 61.6794 28.7478 56.437 28.748 -48.5141 GPRESSAVG: 4309800 -29.6365 -17.4649 57.0954 -20.1189 60.6496 30.3492 55.1784 25.4485 -48.3577 TIMING: 4309800 CPU: 12523.3, 0.00289154/step Wall: 12523.3, 0.00289154/step, 0.554373 hours remaining, 206.847656 MB of memory in use. ENERGY: 4309800 759.7946 2056.4672 1973.7393 111.1620 -206242.9301 17752.8069 0.0000 0.0000 34200.8181 -149388.1420 298.6843 -183588.9600 -149294.2819 298.9917 -82.7366 -53.9630 558004.0921 -5.7436 -5.7815 PRESSURE: 4310000 -4.87388 -77.2195 49.9666 -77.2182 -358.502 -77.5852 49.9661 -77.5839 -241.437 GPRESSURE: 4310000 29.8546 -27.0863 92.5745 -37.2347 -294.045 -46.253 63.8711 -101.374 -249.469 PRESSAVG: 4310000 43.362 18.7164 -32.1685 18.7164 67.6926 -5.88468 -32.1685 -5.88482 -86.0053 GPRESSAVG: 4310000 42.349 16.3097 -31.9026 20.4513 68.7631 -4.34244 -31.8604 -5.40752 -86.394 TIMING: 4310000 CPU: 12523.9, 0.002904/step Wall: 12523.9, 0.002904/step, 0.556599 hours remaining, 206.847656 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: 4310000 759.4956 2126.1735 1964.2227 124.2512 -205845.2741 17547.8132 0.0000 0.0000 34188.2536 -149135.0642 298.5745 -183323.3179 -149048.6445 298.7048 -201.6043 -171.2199 559096.8195 8.3498 8.2394 PRESSURE: 4310200 22.838 -134.63 20.6747 -134.63 146.543 -86.4475 20.6753 -86.4476 155.469 GPRESSURE: 4310200 81.6705 -133.362 47.6137 -117.844 153.869 -157.756 -24.6268 -38.491 189.358 PRESSAVG: 4310200 2.59193 -20.3811 4.20382 -20.3811 55.9341 54.2024 4.20383 54.2023 -57.7056 GPRESSAVG: 4310200 3.4896 -21.2973 3.62588 -20.1421 55.849 53.7636 5.80273 54.3053 -57.9792 TIMING: 4310200 CPU: 12524.5, 0.00289839/step Wall: 12524.5, 0.00289839/step, 0.555364 hours remaining, 206.847656 MB of memory in use. ENERGY: 4310200 799.6140 2074.3596 1971.2631 106.1994 -206537.9804 18162.0011 0.0000 0.0000 34320.1744 -149104.3687 299.7266 -183424.5431 -149016.1303 299.6807 108.2835 141.6326 557970.4186 0.2735 0.4531 PRESSURE: 4310400 -123.86 -46.2132 -54.3622 -46.2144 -92.1654 -70.119 -54.3615 -70.1178 -229.125 GPRESSURE: 4310400 -94.9596 -42.9844 -79.8304 -60.5038 -33.3491 -0.725246 -130.38 -25.7259 -214.218 PRESSAVG: 4310400 13.6066 -16.2275 -18.04 -16.2276 -17.7257 4.41236 -18.0401 4.41228 -27.3453 GPRESSAVG: 4310400 13.7364 -14.7963 -18.286 -18.3871 -18.6176 5.53626 -20.5544 4.88006 -26.8755 TIMING: 4310400 CPU: 12525.1, 0.00289568/step Wall: 12525.1, 0.00289568/step, 0.554684 hours remaining, 206.847656 MB of memory in use. ENERGY: 4310400 756.6116 2146.3707 1955.6409 118.4643 -206214.7480 17820.1805 0.0000 0.0000 34345.8037 -149071.6763 299.9504 -183417.4800 -148970.7440 299.1003 -148.3835 -114.1755 558986.4950 -10.4881 -10.5856 PRESSURE: 4310600 -12.8606 46.8847 -16.3024 46.8845 -190.066 -27.4154 -16.3026 -27.4173 -179.889 GPRESSURE: 4310600 8.92663 -49.8141 -0.730329 145.508 -168.362 -39.7857 59.0714 65.6715 -130.845 PRESSAVG: 4310600 -27.941 1.93161 26.1976 1.93172 30.0793 16.2711 26.1977 16.2712 9.14523 GPRESSAVG: 4310600 -29.4585 0.0497794 24.3121 4.02739 31.333 17.9643 27.5744 14.8795 9.13122 TIMING: 4310600 CPU: 12525.6, 0.0028944/step Wall: 12525.6, 0.0028944/step, 0.554278 hours remaining, 206.847656 MB of memory in use. ENERGY: 4310600 755.1443 2104.7722 1955.4511 106.7931 -205540.1424 17542.0624 0.0000 0.0000 34105.0368 -148970.8824 297.8478 -183075.9192 -148874.9489 299.9149 -127.6053 -96.7601 558657.7198 3.7612 3.6686 PRESSURE: 4310800 78.0706 100.044 -52.8469 100.045 -112.155 -31.074 -52.846 -31.075 44.2392 GPRESSURE: 4310800 107.842 82.4958 15.8484 70.7648 -126.018 -52.9033 -33.092 -106.022 119.433 PRESSAVG: 4310800 -13.4828 -5.20081 66.8638 -5.20074 18.5084 8.73414 66.8637 8.73411 -11.0123 GPRESSAVG: 4310800 -12.3501 -2.72963 66.863 -6.10428 19.0143 7.83482 65.5408 8.53039 -11.9249 TIMING: 4310800 CPU: 12526.2, 0.00288027/step Wall: 12526.2, 0.00288027/step, 0.551411 hours remaining, 206.847656 MB of memory in use. ENERGY: 4310800 731.5956 2118.4395 1963.8060 106.5595 -206005.2368 17872.1679 0.0000 0.0000 34334.3166 -148878.3516 299.8501 -183212.6683 -148778.3429 300.1313 3.3851 33.7524 559120.8364 -1.9956 -1.7536 PRESSURE: 4311000 -35.5908 28.9042 73.1764 28.9035 66.5569 -214.947 73.1754 -214.948 36.017 GPRESSURE: 4311000 16.3947 88.3805 118.642 11.94 76.2168 -256.219 43.9429 -185.812 66.2859 PRESSAVG: 4311000 25.1684 -24.4155 31.3734 -24.4155 12.5312 -10.2056 31.3734 -10.2058 23.9487 GPRESSAVG: 4311000 26.1663 -26.5916 32.3466 -24.3037 11.9501 -11.0521 31.6329 -6.29236 23.9444 TIMING: 4311000 CPU: 12526.8, 0.00289681/step Wall: 12526.8, 0.00289681/step, 0.554417 hours remaining, 206.847656 MB of memory in use. ENERGY: 4311000 731.7425 2100.8200 1941.7395 111.3918 -206002.7762 17821.4148 0.0000 0.0000 34355.2263 -148940.4414 300.0327 -183295.6677 -148847.6391 300.6348 22.3277 52.9658 559230.1389 20.5494 20.6869 PRESSURE: 4311200 38.8791 24.8814 -90.5923 24.8815 24.2724 73.8101 -90.5929 73.8104 276.075 GPRESSURE: 4311200 71.0118 -43.3984 -9.43268 -7.05904 44.4559 41.5319 -133.595 123.324 320.016 PRESSAVG: 4311200 8.55571 -27.136 25.3848 -27.1359 -31.1221 -28.8359 25.3848 -28.8358 16.6473 GPRESSAVG: 4311200 6.69092 -27.0934 24.9638 -26.1753 -29.628 -29.2193 26.6109 -30.5359 16.3625 TIMING: 4311200 CPU: 12527.4, 0.00288831/step Wall: 12527.4, 0.00288831/step, 0.55263 hours remaining, 206.847656 MB of memory in use. ENERGY: 4311200 740.9747 2089.6994 1974.2755 113.2685 -206456.6832 18119.1817 0.0000 0.0000 34444.2708 -148975.0125 300.8104 -183419.2833 -148875.9022 300.3343 113.0756 145.1614 556978.4726 -1.9730 -2.1915 PRESSURE: 4311400 348.167 165.281 -62.2703 165.28 349.668 72.9228 -62.2693 72.9225 139.53 GPRESSURE: 4311400 347.997 180.697 -110.425 142.132 337.867 162.566 -99.303 -76.5054 240.434 PRESSAVG: 4311400 19.1808 -38.608 -31.3835 -38.6079 -47.6658 -29.5436 -31.3836 -29.5434 18.3741 GPRESSAVG: 4311400 20.3623 -37.7488 -29.0707 -38.4876 -49.8152 -28.8118 -32.3877 -29.7283 19.4217 TIMING: 4311400 CPU: 12527.9, 0.00286556/step Wall: 12527.9, 0.00286556/step, 0.548118 hours remaining, 206.847656 MB of memory in use. ENERGY: 4311400 738.3414 2118.4380 1972.1818 113.5340 -206544.8676 18165.9774 0.0000 0.0000 34374.5290 -149061.8661 300.2013 -183436.3950 -148965.9214 300.2682 279.1215 308.7659 556560.7972 -3.3703 -3.3437 PRESSURE: 4311600 -43.1518 -62.9971 60.3514 -62.9973 237.993 -72.46 60.3514 -72.4597 -183.041 GPRESSURE: 4311600 5.4251 -76.7681 38.9369 -42.2462 150.544 -30.4555 91.8299 -91.0691 -59.8672 PRESSAVG: 4311600 -22.1359 -4.21498 8.39882 -4.21506 30.7716 23.7167 8.39876 23.7167 2.17753 GPRESSAVG: 4311600 -21.7168 -5.23052 7.03068 -3.34439 31.1754 23.2838 8.09701 23.2439 1.74857 TIMING: 4311600 CPU: 12528.5, 0.00286094/step Wall: 12528.5, 0.00286094/step, 0.547075 hours remaining, 206.847656 MB of memory in use. ENERGY: 4311600 743.6718 2079.6447 2004.0989 110.7839 -206167.5436 17794.5672 0.0000 0.0000 34332.3159 -149102.4611 299.8327 -183434.7770 -149009.1235 299.4838 3.9331 32.0339 557816.8000 3.6044 3.7357 PRESSURE: 4311800 -155.045 62.7095 -99.0375 62.7083 -114.298 -159.97 -99.0385 -159.969 310.403 GPRESSURE: 4311800 -70.5767 136.944 -184.225 26.2742 -77.2851 -118.375 -42.1773 -187.181 288.068 PRESSAVG: 4311800 -33.4556 -49.7461 -22.69 -49.7461 54.6663 -11.732 -22.6901 -11.7321 58.5646 GPRESSAVG: 4311800 -32.873 -50.0042 -25.7339 -51.0483 54.3721 -12.5139 -19.5905 -9.81137 58.4777 TIMING: 4311800 CPU: 12529.1, 0.00289953/step Wall: 12529.1, 0.00289953/step, 0.554294 hours remaining, 206.847656 MB of memory in use. ENERGY: 4311800 733.0191 2085.0745 1970.1106 115.0799 -206205.9376 17898.0017 0.0000 0.0000 34260.7480 -149143.9038 299.2076 -183404.6518 -149047.3343 299.3585 13.6867 46.7353 558489.0573 26.5918 26.6590 PRESSURE: 4312000 141.111 115.376 122.154 115.376 150.227 -51.9406 122.154 -51.94 164.693 GPRESSURE: 4312000 210.397 105.859 102.843 24.8366 184.824 17.5924 1.51445 -113.013 166.958 PRESSAVG: 4312000 -16.9736 42.212 -23.3562 42.212 56.8715 -11.8784 -23.3562 -11.8785 12.4768 GPRESSAVG: 4312000 -17.1369 46.0073 -21.1309 40.4645 58.2454 -9.98246 -24.5251 -12.7672 11.2588 TIMING: 4312000 CPU: 12529.7, 0.00288819/step Wall: 12529.7, 0.00288819/step, 0.551966 hours remaining, 206.847656 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: 4312000 746.7034 2068.4849 1980.2765 126.6030 -206329.7297 18101.5197 0.0000 0.0000 34482.3379 -148823.8043 301.1428 -183306.1422 -148726.6098 300.9687 152.0101 187.3932 557330.6299 17.4582 17.4558 PRESSURE: 4312200 -189.171 -53.8453 -143.617 -53.8457 122.365 -57.8476 -143.616 -57.8468 290.173 GPRESSURE: 4312200 -159.316 26.0758 -220.079 -67.4138 109.338 -67.8268 -5.96596 -50.8064 362.092 PRESSAVG: 4312200 -105.473 -19.5261 -34.961 -19.5263 67.2176 -75.7337 -34.9609 -75.7338 -32.4774 GPRESSAVG: 4312200 -105.892 -21.2747 -34.3541 -19.4652 65.4298 -76.2706 -35.9596 -74.0104 -30.8373 TIMING: 4312200 CPU: 12530.2, 0.00289266/step Wall: 12530.2, 0.00289266/step, 0.552658 hours remaining, 206.847656 MB of memory in use. ENERGY: 4312200 764.8169 2079.2435 1958.5804 113.4348 -206212.8452 17999.1953 0.0000 0.0000 34400.1024 -148897.4719 300.4246 -183297.5743 -148798.8135 300.4167 74.4557 104.0379 559009.3718 -23.5775 -23.7665 LDB: ============= START OF LOAD BALANCING ============== 12533.7 LDB: ============== END OF LOAD BALANCING =============== 12533.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12533.7 LDB: ============= START OF LOAD BALANCING ============== 12534 LDB: Largest compute 4848 load 0.027920 is 23.7% of average load 0.117719 LDB: Average compute 0.001735 is 1.5% of average load 0.117719 LDB: TIME 12534 LOAD: AVG 0.117719 MAX 0.178685 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 12534 LOAD: AVG 0.117719 MAX 0.178685 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: TIME 12534 LOAD: AVG 0.117719 MAX 0.178685 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12534 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12534 PRESSURE: 4312400 49.6707 4.78159 -15.9496 4.7812 -191.224 117.448 -15.948 117.45 77.6625 GPRESSURE: 4312400 87.3087 -9.50222 2.72273 42.5521 -132.158 71.9526 31.8535 126.187 81.0955 PRESSAVG: 4312400 8.91566 7.73973 30.7569 7.7398 -62.7328 -28.4271 30.757 -28.4269 37.5886 GPRESSAVG: 4312400 9.3249 7.37012 30.4773 10.4756 -63.0912 -27.4828 30.5536 -31.0981 37.8281 TIMING: 4312400 CPU: 12530.8, 0.00294102/step Wall: 12530.8, 0.00294102/step, 0.561735 hours remaining, 206.777344 MB of memory in use. ENERGY: 4312400 767.7274 2005.6935 2012.8684 107.7786 -206242.6070 17923.2532 0.0000 0.0000 34549.8640 -148875.4219 301.7326 -183425.2859 -148766.5048 299.9331 -21.2970 12.0819 558851.5439 -5.4095 -5.3127 PRESSURE: 4312600 1.03385 64.2485 23.3226 64.2476 85.6719 -176.427 23.323 -176.425 -211.901 GPRESSURE: 4312600 15.527 49.401 -22.8848 33.0008 130.14 -200.116 46.8318 -128.785 -183.793 PRESSAVG: 4312600 38.6404 67.696 1.23685 67.696 -14.0975 -57.7314 1.23677 -57.7315 39.2438 GPRESSAVG: 4312600 37.6916 68.9201 1.18445 64.9621 -12.8794 -58.6081 1.8499 -57.0833 38.4777 TIMING: 4312600 CPU: 12531.4, 0.00288958/step Wall: 12531.4, 0.00288958/step, 0.551749 hours remaining, 207.019531 MB of memory in use. ENERGY: 4312600 766.8585 2030.4271 1997.4500 115.6904 -206022.0250 17728.1783 0.0000 0.0000 34413.7642 -148969.6565 300.5440 -183383.4206 -148868.4049 300.3797 -41.7316 -12.7087 557840.9269 21.2622 21.0966 PRESSURE: 4312800 331.677 -2.32817 -3.59155 -2.32871 348.307 -4.39395 -3.59287 -4.39426 92.3991 GPRESSURE: 4312800 347.874 3.48272 -10.9112 -50.915 366.878 -86.9169 49.9402 17.5371 150.975 PRESSAVG: 4312800 -26.8601 43.8988 -40.6213 43.8988 14.2957 9.94594 -40.6214 9.94596 17.4596 GPRESSAVG: 4312800 -27.284 44.0088 -40.9614 46.0241 13.4185 10.5212 -42.4167 11.0936 18.737 TIMING: 4312800 CPU: 12532, 0.00288278/step Wall: 12532, 0.00288278/step, 0.550291 hours remaining, 207.019531 MB of memory in use. ENERGY: 4312800 754.7293 2093.5202 2008.1911 107.8638 -206020.6856 18019.7387 0.0000 0.0000 34126.9912 -148909.6513 298.0395 -183036.6425 -148814.6804 299.7496 257.4611 288.5756 557548.7796 1.6317 1.6238 PRESSURE: 4313000 -406.688 -56.3782 -35.6644 -56.3772 -30.85 151.832 -35.665 151.831 132.325 GPRESSURE: 4313000 -393.742 -34.4088 -67.4732 -12.0247 34.057 109.107 14.4296 199.026 141.664 PRESSAVG: 4313000 -17.027 -5.01336 -26.914 -5.01337 -2.7652 28.1488 -26.914 28.1488 20.4708 GPRESSAVG: 4313000 -17.6003 -7.28479 -28.9189 -6.39993 -1.31045 28.4852 -24.4637 26.0705 19.8185 TIMING: 4313000 CPU: 12532.6, 0.00289044/step Wall: 12532.6, 0.00289044/step, 0.551592 hours remaining, 207.019531 MB of memory in use. ENERGY: 4313000 769.4243 2044.4038 1975.4079 106.8018 -205986.8780 17782.8029 0.0000 0.0000 34175.1772 -149132.8601 298.4603 -183308.0373 -149036.4636 299.3798 -101.7377 -72.6735 559383.4964 0.2262 0.3026 PRESSURE: 4313200 -5.71595 25.4214 -232.441 25.4196 -20.6921 132.88 -232.44 132.881 -260.15 GPRESSURE: 4313200 42.5179 77.2927 -198.45 63.3951 -10.517 52.4331 -228.988 177.415 -223.37 PRESSAVG: 4313200 -21.5149 12.2033 -12.5812 12.2032 -4.55465 -27.1705 -12.5813 -27.1706 -16.5081 GPRESSAVG: 4313200 -21.0185 13.3044 -11.9391 13.4617 -4.72413 -28.8034 -13.6082 -26.4208 -16.7003 TIMING: 4313200 CPU: 12533.1, 0.0028997/step Wall: 12533.1, 0.00289969/step, 0.553197 hours remaining, 207.019531 MB of memory in use. ENERGY: 4313200 729.7149 2084.9158 1973.8329 88.7818 -206193.4047 17754.8354 0.0000 0.0000 34442.4260 -149118.8980 300.7943 -183561.3240 -149019.7173 299.1902 -95.5192 -63.7897 558887.5402 -14.1925 -14.1476 PRESSURE: 4313400 -20.9521 -16.5319 -94.7006 -16.5327 -19.4764 -21.4171 -94.7014 -21.4182 77.8713 GPRESSURE: 4313400 1.30545 -16.4706 -84.7961 -18.2509 -42.3139 14.4039 -106.863 -37.6392 165.867 PRESSAVG: 4313400 13.8194 -7.99693 -74.4279 -7.99698 -62.4288 11.7844 -74.4279 11.7844 11.3227 GPRESSAVG: 4313400 13.4569 -8.48865 -74.4694 -8.36428 -62.3381 14.2072 -72.087 11.447 10.9884 TIMING: 4313400 CPU: 12533.7, 0.00289772/step Wall: 12533.7, 0.00289772/step, 0.55266 hours remaining, 207.019531 MB of memory in use. ENERGY: 4313400 755.2667 2132.7695 1973.3536 106.2537 -206563.8416 17879.9770 0.0000 0.0000 34361.1300 -149355.0912 300.0843 -183716.2211 -149259.2044 299.4846 12.4809 41.6195 557480.1799 -12.4289 -12.6310 PRESSURE: 4313600 123.275 -46.1037 82.4222 -46.1037 -98.8235 -63.716 82.4208 -63.7161 -249.285 GPRESSURE: 4313600 139.097 -79.7673 64.0997 -89.0747 -38.9674 -76.4543 40.015 -37.0868 -233.143 PRESSAVG: 4313600 4.15092 -19.8081 -22.318 -19.8081 -6.44218 -34.0148 -22.318 -34.0149 -41.0479 GPRESSAVG: 4313600 2.16318 -20.714 -21.4852 -18.0877 -6.03639 -34.0333 -23.0022 -32.2769 -39.8194 TIMING: 4313600 CPU: 12534.3, 0.00287849/step Wall: 12534.3, 0.00287849/step, 0.548832 hours remaining, 207.019531 MB of memory in use. ENERGY: 4313600 737.5494 2103.1346 1933.7917 115.4189 -206462.4313 17817.9688 0.0000 0.0000 34354.6104 -149399.9576 300.0274 -183754.5680 -149301.3305 298.7103 -74.9444 -44.3379 557948.0227 -14.4464 -14.5642 PRESSURE: 4313800 58.0645 -41.3007 85.8014 -41.2986 -256.372 126.553 85.8015 126.555 4.5102 GPRESSURE: 4313800 105.891 -33.5542 112.099 24.6439 -224.528 152.14 72.9475 87.0698 30.5176 PRESSAVG: 4313800 -4.58045 -4.01379 49.0451 -4.01376 23.0809 -10.9914 49.0451 -10.9913 13.6289 GPRESSAVG: 4313800 -1.83218 -1.90481 48.4391 -7.14201 21.708 -10.0636 46.78 -13.9631 12.544 TIMING: 4313800 CPU: 12534.9, 0.00289136/step Wall: 12534.9, 0.00289136/step, 0.551126 hours remaining, 207.019531 MB of memory in use. ENERGY: 4313800 751.1799 2068.3971 1965.2367 117.2012 -206352.9747 17980.7227 0.0000 0.0000 34244.9548 -149225.2822 299.0697 -183470.2370 -149126.2404 299.3555 -64.5992 -29.3731 559989.8535 10.7098 10.8066 PRESSURE: 4314000 -435.263 -4.41765 -24.0002 -4.4182 -133.776 -148.461 -24.0002 -148.462 -7.41298 GPRESSURE: 4314000 -390.83 108.38 -11.1756 10.3175 -121.07 -85.1454 -87.7179 -140.044 40.9129 PRESSAVG: 4314000 -27.443 6.43654 59.5836 6.43654 11.864 34.2843 59.5837 34.2841 -41.8494 GPRESSAVG: 4314000 -27.633 6.19153 60.1019 7.45249 12.4653 32.2059 59.2429 36.0277 -41.8899 TIMING: 4314000 CPU: 12535.5, 0.00286548/step Wall: 12535.5, 0.00286548/step, 0.546032 hours remaining, 207.019531 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: 4314000 767.3879 2135.1818 1950.2577 117.7905 -205937.0946 17508.7140 0.0000 0.0000 34192.8471 -149264.9157 298.6146 -183457.7628 -149177.8842 299.3476 -192.1506 -156.9955 558967.8329 -19.1428 -19.0192 PRESSURE: 4314200 -302.333 -64.6802 -21.6742 -64.6816 -218.396 95.0941 -21.6753 95.0927 -194.336 GPRESSURE: 4314200 -234.582 -103.295 -30.1009 -32.6525 -187.038 23.0678 15.617 140.705 -210.023 PRESSAVG: 4314200 60.6139 -25.3617 -46.5197 -25.3617 -3.93037 34.3894 -46.5198 34.3894 -36.3844 GPRESSAVG: 4314200 60.6973 -25.8893 -47.5875 -26.5277 -2.2829 35.4724 -43.7633 34.1462 -37.8431 TIMING: 4314200 CPU: 12536, 0.00286863/step Wall: 12536, 0.00286863/step, 0.546475 hours remaining, 207.019531 MB of memory in use. ENERGY: 4314200 765.1843 2113.6507 1947.4802 108.9180 -206086.1197 17606.2065 0.0000 0.0000 34239.7112 -149304.9688 299.0239 -183544.6800 -149204.0600 299.7253 -238.3549 -210.5479 558426.4530 6.7664 6.8571 PRESSURE: 4314400 -138.474 19.5953 38.2162 19.5949 -207.748 27.7585 38.2165 27.76 -290.104 GPRESSURE: 4314400 -141.024 8.75991 48.4672 8.09718 -223.242 81.7706 49.2951 34.2256 -180.326 PRESSAVG: 4314400 -28.9899 -75.9617 -29.8984 -75.9617 28.6139 100.966 -29.8983 100.966 -28.1985 GPRESSAVG: 4314400 -29.8592 -74.2238 -26.8019 -76.3038 28.5173 101.827 -32.5071 101.528 -27.1698 TIMING: 4314400 CPU: 12536.6, 0.00287545/step Wall: 12536.6, 0.00287545/step, 0.547613 hours remaining, 207.019531 MB of memory in use. ENERGY: 4314400 741.9031 2101.1064 1964.3714 117.3578 -206115.4345 17622.4269 0.0000 0.0000 34291.4109 -149276.8581 299.4754 -183568.2690 -149176.3129 299.5411 -212.1083 -181.5305 559654.0381 -9.5248 -9.5039 PRESSURE: 4314600 -59.6685 -147.396 138.728 -147.396 216.888 2.5364 138.729 2.5373 1.08608 GPRESSURE: 4314600 -69.4404 -180.928 62.6659 -142.284 262.483 28.792 182.703 1.55962 74.9587 PRESSAVG: 4314600 -47.1855 -28.4154 -10.2341 -28.4154 60.5633 23.68 -10.234 23.68 -34.8436 GPRESSAVG: 4314600 -47.9016 -29.8978 -11.5549 -26.4838 61.3929 23.7548 -10.4837 23.4372 -35.2407 TIMING: 4314600 CPU: 12537.2, 0.00287192/step Wall: 12537.2, 0.00287192/step, 0.546782 hours remaining, 207.019531 MB of memory in use. ENERGY: 4314600 731.5786 2174.8276 1974.5598 124.8207 -206587.2356 18098.0841 0.0000 0.0000 34104.0457 -149379.3190 297.8391 -183483.3648 -149277.2893 299.0038 52.7686 89.3337 559195.6057 -7.1553 -7.2498 PRESSURE: 4314800 23.7121 151.193 -12.8256 151.192 181.819 141.58 -12.8264 141.58 -40.7745 GPRESSURE: 4314800 60.0661 184.849 -63.9957 206.696 220.362 74.7248 5.6942 183.073 -34.0531 PRESSAVG: 4314800 -24.8697 34.3364 -21.0386 34.3364 -1.24933 -24.3096 -21.0386 -24.3094 13.5823 GPRESSAVG: 4314800 -24.0263 34.2274 -22.4565 33.6159 -1.6043 -27.1851 -18.1017 -22.9226 12.8447 TIMING: 4314800 CPU: 12537.8, 0.0028965/step Wall: 12537.8, 0.0028965/step, 0.551301 hours remaining, 207.019531 MB of memory in use. ENERGY: 4314800 750.4264 2116.7088 1946.5706 109.3460 -206523.3220 17936.9825 0.0000 0.0000 34209.6383 -149453.6495 298.7613 -183663.2878 -149356.4480 298.8030 54.9189 82.1248 556847.5799 -4.1789 -4.2620 PRESSURE: 4315000 155.818 44.6839 -65.0229 44.6835 62.4939 37.1436 -65.0204 37.1428 -26.0809 GPRESSURE: 4315000 135.332 18.041 -97.5682 69.8145 118.342 20.8929 -30.2372 49.2134 27.256 PRESSAVG: 4315000 -12.1234 19.5868 -10.2475 19.5868 -3.67398 23.2956 -10.2476 23.2957 -6.24842 GPRESSAVG: 4315000 -12.3401 21.3056 -9.07864 16.8576 -4.01389 24.6475 -13.3947 22.709 -5.23558 TIMING: 4315000 CPU: 12538.3, 0.00288413/step Wall: 12538.3, 0.00288412/step, 0.548785 hours remaining, 207.019531 MB of memory in use. ENERGY: 4315000 740.6308 2085.4692 1946.8667 118.2750 -206657.6052 18082.0928 0.0000 0.0000 34362.0506 -149322.2202 300.0923 -183684.2708 -149225.9227 299.5261 64.0769 93.6435 558010.4471 -7.3486 -7.1965 PRESSURE: 4315200 -7.90832 144.396 -74.7307 144.395 -9.47583 -98.6455 -74.7318 -98.6444 92.3045 GPRESSURE: 4315200 17.4003 138.785 -137.128 110.456 17.9263 -78.7383 -140.193 -35.5372 128.432 PRESSAVG: 4315200 8.05263 63.2283 19.4873 63.2282 -6.83454 -31.2169 19.4874 -31.2169 50.1237 GPRESSAVG: 4315200 9.20027 60.1652 19.4746 66.0227 -7.29519 -31.8468 18.7458 -32.5993 49.4803 TIMING: 4315200 CPU: 12538.9, 0.00289511/step Wall: 12538.9, 0.00289511/step, 0.550714 hours remaining, 207.019531 MB of memory in use. ENERGY: 4315200 725.8944 2088.5240 1937.6982 114.3393 -206750.9368 18008.3808 0.0000 0.0000 34479.2505 -149396.8497 301.1159 -183876.1002 -149300.4869 299.7380 24.9734 54.5861 556683.5701 17.1139 17.1285 PRESSURE: 4315400 -91.0057 -209.024 -58.6153 -209.025 8.54221 -14.762 -58.6147 -14.7624 137.155 GPRESSURE: 4315400 -37.2384 -214.229 -41.2939 -193.965 16.1842 33.5461 -110.26 -60.3068 176.697 PRESSAVG: 4315400 46.9565 3.33654 28.7278 3.33658 -50.8782 -0.019195 28.7278 -0.01925 -3.61594 GPRESSAVG: 4315400 46.2381 5.31534 27.4369 1.93962 -50.9082 0.521871 32.7298 -0.15348 -3.12136 TIMING: 4315400 CPU: 12539.5, 0.00287448/step Wall: 12539.5, 0.00287448/step, 0.546631 hours remaining, 207.019531 MB of memory in use. ENERGY: 4315400 781.3328 2067.1303 1963.2952 118.2106 -206293.9303 17783.6216 0.0000 0.0000 34291.9980 -149288.3420 299.4805 -183580.3400 -149181.5881 299.5584 18.2305 51.8808 557403.6285 -2.5126 -2.5971 PRESSURE: 4315600 -97.5264 150.609 95.0517 150.607 15.6724 64.6995 95.0513 64.6997 -137.86 GPRESSURE: 4315600 -52.6455 116.697 91.7851 68.2408 13.6563 54.611 130.353 103.756 -73.2613 PRESSAVG: 4315600 25.6012 -12.4165 50.0425 -12.4165 -26.0193 -91.8566 50.0424 -91.8566 31.8179 GPRESSAVG: 4315600 25.7256 -14.351 52.7064 -11.7572 -26.139 -90.6864 46.6598 -92.1069 31.8437 TIMING: 4315600 CPU: 12540.1, 0.00288666/step Wall: 12540.1, 0.00288666/step, 0.548786 hours remaining, 207.019531 MB of memory in use. ENERGY: 4315600 758.9469 2099.5843 1942.4617 118.8415 -206159.0910 17769.9042 0.0000 0.0000 34278.4607 -149190.8918 299.3623 -183469.3524 -149093.2679 300.1263 -73.2380 -37.4168 558059.8625 10.4666 10.4768 PRESSURE: 4315800 -201.175 -105.715 7.57032 -105.716 -186.357 76.5452 7.56973 76.5465 -227.348 GPRESSURE: 4315800 -154.202 -53.8327 84.4239 -154.659 -182.758 98.6338 -59.9977 148.783 -186.34 PRESSAVG: 4315800 -37.3283 -12.4825 -10.5169 -12.4825 27.4219 -6.5374 -10.517 -6.53734 -14.5053 GPRESSAVG: 4315800 -37.4939 -11.4653 -12.1179 -12.4919 27.7298 -6.09962 -8.60584 -6.28186 -14.6659 TIMING: 4315800 CPU: 12540.6, 0.00289198/step Wall: 12540.6, 0.00289198/step, 0.549636 hours remaining, 207.019531 MB of memory in use. ENERGY: 4315800 771.9751 2126.0100 1992.3621 115.7452 -205889.6534 17584.9973 0.0000 0.0000 34287.9622 -149010.6016 299.4453 -183298.5638 -148913.1294 299.3936 -204.9599 -174.4332 557637.0202 -8.1372 -8.1433 PRESSURE: 4316000 -299.721 13.1144 82.1657 13.1135 -91.3444 -10.2073 82.167 -10.2078 17.8207 GPRESSURE: 4316000 -247.636 74.3742 112.652 22.0728 -53.5049 -8.35664 24.8849 -45.015 20.8243 PRESSAVG: 4316000 4.54491 5.29419 -31.9896 5.2941 11.7049 -48.8117 -31.9895 -48.8118 -41.4111 GPRESSAVG: 4316000 4.26733 6.85488 -31.9893 4.22654 11.7778 -50.3774 -31.7058 -48.3764 -41.879 TIMING: 4316000 CPU: 12541.2, 0.00287894/step Wall: 12541.2, 0.00287894/step, 0.546999 hours remaining, 207.019531 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: 4316000 748.9363 2101.3827 2000.0796 107.2597 -205746.4070 17547.1537 0.0000 0.0000 34280.5020 -148961.0930 299.3801 -183241.5950 -148862.8248 299.9271 -124.4150 -93.4387 559038.8367 -8.3871 -8.6113 PRESSURE: 4316200 82.0795 -70.5417 82.864 -70.5421 173.558 -142.271 82.8642 -142.271 -23.5736 GPRESSURE: 4316200 106.809 -114.165 85.2031 -92.4015 198.838 -56.0176 127.363 -108.788 12.5195 PRESSAVG: 4316200 -10.9557 -12.7696 43.4501 -12.7696 -6.38332 -28.5147 43.4501 -28.5147 13.3539 GPRESSAVG: 4316200 -10.0554 -14.8482 41.6645 -12.2334 -7.12812 -27.5251 43.1731 -27.2337 12.7749 TIMING: 4316200 CPU: 12541.8, 0.00290356/step Wall: 12541.8, 0.00290356/step, 0.551515 hours remaining, 207.019531 MB of memory in use. ENERGY: 4316200 763.9009 2064.8224 1966.2526 112.1130 -206475.0815 18019.0355 0.0000 0.0000 34625.2797 -148923.6773 302.3912 -183548.9570 -148828.3265 300.3871 77.3548 106.0555 556307.4133 -1.3284 -1.4695 LDB: ============= START OF LOAD BALANCING ============== 12545.3 LDB: ============== END OF LOAD BALANCING =============== 12545.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12545.3 LDB: ============= START OF LOAD BALANCING ============== 12545.6 LDB: Largest compute 4849 load 0.028052 is 23.8% of average load 0.117771 LDB: Average compute 0.001750 is 1.5% of average load 0.117771 LDB: TIME 12545.6 LOAD: AVG 0.117771 MAX 0.180214 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 12545.6 LOAD: AVG 0.117771 MAX 0.180214 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 12545.6 LOAD: AVG 0.117771 MAX 0.180214 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: ============== END OF LOAD BALANCING =============== 12545.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12545.6 PRESSURE: 4316400 47.5178 70.812 30.3986 70.8108 -5.97488 -51.7954 30.3988 -51.795 17.187 GPRESSURE: 4316400 53.6459 8.73257 20.3065 39.9887 29.2507 -94.9874 39.4562 5.26623 53.6034 PRESSAVG: 4316400 -33.9001 22.334 14.7878 22.3338 22.5272 -53.577 14.7878 -53.5768 -13.5354 GPRESSAVG: 4316400 -34.3335 20.5524 14.5421 22.3852 22.6842 -53.8034 13.3508 -53.9186 -13.4203 TIMING: 4316400 CPU: 12542.4, 0.00295557/step Wall: 12542.4, 0.00295557/step, 0.561231 hours remaining, 209.398438 MB of memory in use. ENERGY: 4316400 757.5471 2078.3028 1962.2194 121.9411 -205940.0666 17771.8947 0.0000 0.0000 34478.8821 -148769.2794 301.1127 -183248.1615 -148669.2951 300.6532 19.5766 45.5000 558239.3574 -8.3028 -8.3565 PRESSURE: 4316600 -243.626 110.912 -197.839 110.913 -90.1818 -138.733 -197.839 -138.733 71.72 GPRESSURE: 4316600 -147.384 123.696 -164.073 224.59 -28.3477 -157.158 -293.426 -86.258 41.6087 PRESSAVG: 4316600 -50.8313 45.8306 4.81456 45.8307 13.0302 -29.8051 4.81455 -29.805 30.8419 GPRESSAVG: 4316600 -51.5509 47.1869 6.32407 47.5256 14.0193 -29.5252 6.1476 -31.268 30.7762 TIMING: 4316600 CPU: 12543, 0.00289122/step Wall: 12543, 0.00289122/step, 0.54885 hours remaining, 209.539062 MB of memory in use. ENERGY: 4316600 730.0958 2093.9632 1947.5386 116.7811 -205945.1652 17618.8346 0.0000 0.0000 34373.0892 -149064.8629 300.1887 -183437.9520 -148962.1408 300.1054 -87.3627 -44.7076 557579.4241 -2.3197 -2.2518 PRESSURE: 4316800 -41.5694 -73.8183 -174.63 -73.8182 -255.874 -243.757 -174.629 -243.756 -170.762 GPRESSURE: 4316800 -1.12459 -109.044 -194.451 -44.5425 -199.96 -279.153 -177.756 -193.131 -163.352 PRESSAVG: 4316800 -48.8864 -32.7417 -26.7006 -32.7416 -11.0023 -37.0579 -26.7006 -37.0579 43.6395 GPRESSAVG: 4316800 -48.2023 -34.6505 -27.6793 -32.1066 -11.8459 -36.7895 -26.4581 -35.4986 44.157 TIMING: 4316800 CPU: 12543.5, 0.00287314/step Wall: 12543.5, 0.00287314/step, 0.545259 hours remaining, 209.539062 MB of memory in use. ENERGY: 4316800 778.7587 2083.1705 1949.2695 114.7976 -205687.8008 17504.1596 0.0000 0.0000 34313.6318 -148944.0129 299.6695 -183257.6448 -148849.2753 300.1073 -156.0684 -121.4787 558499.4343 -5.4164 -5.2971 PRESSURE: 4317000 -174.71 -10.4956 -136.322 -10.4949 -81.9299 37.7475 -136.32 37.7493 -177.312 GPRESSURE: 4317000 -140.136 -97.8487 -76.18 -43.9727 -70.1294 84.2337 -164.973 -29.3626 -125.005 PRESSAVG: 4317000 -11.2455 -31.1751 -4.98225 -31.1751 15.6294 -3.00044 -4.98219 -3.00037 -12.7345 GPRESSAVG: 4317000 -11.3933 -28.7435 -3.62475 -31.5879 14.5527 -2.81422 -6.31225 -3.54877 -11.8905 TIMING: 4317000 CPU: 12544.1, 0.00287994/step Wall: 12544.1, 0.00287994/step, 0.546389 hours remaining, 209.656250 MB of memory in use. ENERGY: 4317000 770.3121 2085.5151 1930.4620 117.2056 -206064.6543 17721.6593 0.0000 0.0000 34341.3452 -149098.1552 299.9115 -183439.5004 -149001.3602 300.0606 -144.6507 -111.7570 558190.1028 -2.7835 -2.9104 PRESSURE: 4317200 -39.4899 -20.6818 77.3283 -20.6841 29.2844 -5.64989 77.3285 -5.6499 -40.9656 GPRESSURE: 4317200 -32.5363 66.3952 47.3446 -20.624 22.3836 -12.4257 131.613 -10.5989 66.7377 PRESSAVG: 4317200 0.471616 20.8739 -12.7466 20.8739 -17.6475 -25.8322 -12.7466 -25.8322 26.6379 GPRESSAVG: 4317200 1.34737 19.8115 -12.995 20.6316 -17.8828 -28.0613 -11.2717 -24.5325 25.9733 TIMING: 4317200 CPU: 12544.7, 0.00288942/step Wall: 12544.7, 0.00288942/step, 0.548027 hours remaining, 209.656250 MB of memory in use. ENERGY: 4317200 716.3290 2124.9875 1938.6451 106.5861 -205824.8333 17635.6929 0.0000 0.0000 34171.8587 -149130.7340 298.4313 -183302.5926 -149035.2011 299.3947 -17.0570 18.8617 558925.7846 3.1540 3.1460 PRESSURE: 4317400 -214.201 261.24 -94.2086 261.241 39.5265 -3.46946 -94.2086 -3.46902 -253.113 GPRESSURE: 4317400 -200.101 147.457 -71.3258 312.262 78.6224 48.3774 -110.12 -94.8431 -215.258 PRESSAVG: 4317400 15.5474 30.1925 29.3368 30.1925 -5.26868 -18.5905 29.3367 -18.5906 13.723 GPRESSAVG: 4317400 14.5891 33.2367 28.007 28.1971 -5.40802 -17.8447 28.8243 -18.0674 15.3104 TIMING: 4317400 CPU: 12545.3, 0.00291241/step Wall: 12545.3, 0.00291241/step, 0.552225 hours remaining, 209.656250 MB of memory in use. ENERGY: 4317400 759.5163 2085.6666 1956.4870 112.0731 -205951.5339 17622.7694 0.0000 0.0000 34199.4834 -149215.5381 298.6726 -183415.0215 -149134.4439 298.7771 -142.5958 -112.2454 559790.1504 8.0006 8.1638 PRESSURE: 4317600 155.032 -30.8993 43.6213 -30.9 -48.5076 13.6904 43.6211 13.6914 67.489 GPRESSURE: 4317600 161.987 9.50777 125.647 -0.00862342 6.68559 -85.6933 34.5008 56.4588 105.312 PRESSAVG: 4317600 58.4986 38.7282 6.10367 38.7282 -66.9522 23.869 6.10364 23.8689 -23.858 GPRESSAVG: 4317600 59.8775 37.7441 5.98505 39.4073 -67.0484 23.6536 8.6167 22.6637 -24.9386 TIMING: 4317600 CPU: 12545.9, 0.00290874/step Wall: 12545.9, 0.00290874/step, 0.551368 hours remaining, 209.656250 MB of memory in use. ENERGY: 4317600 758.6213 2115.6529 1919.2349 119.2450 -206205.9030 17951.5722 0.0000 0.0000 34146.5870 -149194.9898 298.2106 -183341.5768 -149106.8538 299.1250 58.0046 91.3282 557868.8708 -10.7705 -10.7032 PRESSURE: 4317800 97.7694 119.304 -131.62 119.303 -84.3939 12.6076 -131.62 12.606 -289.475 GPRESSURE: 4317800 142.236 135.492 -133.817 46.4949 -109.102 -57.8845 -106.878 -11.7671 -217.557 PRESSAVG: 4317800 30.6864 16.7295 -10.9963 16.7296 -46.5954 24.3771 -10.9964 24.3771 0.469825 GPRESSAVG: 4317800 30.6371 16.8471 -10.0266 15.4114 -47.2145 26.4996 -13.7654 23.7239 0.734444 TIMING: 4317800 CPU: 12546.4, 0.0028915/step Wall: 12546.4, 0.0028915/step, 0.547939 hours remaining, 209.656250 MB of memory in use. ENERGY: 4317800 755.1057 2050.9655 1956.2816 104.3110 -206425.8616 17845.1321 0.0000 0.0000 34411.3263 -149302.7395 300.5227 -183714.0658 -149210.9474 299.6309 -92.0333 -61.4746 557500.8159 -5.1464 -5.2810 PRESSURE: 4318000 49.6825 -29.2361 58.8559 -29.2364 -50.2715 -6.11466 58.8555 -6.11407 432.265 GPRESSURE: 4318000 74.5306 -43.1109 -43.2893 18.4511 0.772739 -55.8956 57.1552 -14.0921 438.458 PRESSAVG: 4318000 32.6978 13.7956 -2.20034 13.7956 -24.2529 -32.4552 -2.20024 -32.4554 32.7756 GPRESSAVG: 4318000 31.45 14.7293 -1.92318 14.1098 -22.728 -33.2559 -1.06629 -31.5128 33.4483 TIMING: 4318000 CPU: 12547, 0.00287681/step Wall: 12547, 0.00287681/step, 0.544995 hours remaining, 209.656250 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: 4318000 743.2840 2089.0294 1944.6199 117.9861 -206136.2174 17955.6130 0.0000 0.0000 34175.4824 -149110.2027 298.4630 -183285.6851 -149017.7344 299.1006 143.8919 171.2539 556951.2596 13.7402 14.0567 PRESSURE: 4318200 -204.927 258.716 3.41565 258.717 -298.104 -77.1331 3.41699 -77.1337 -12.5204 GPRESSURE: 4318200 -187.996 260.522 -87.3315 245.032 -230.489 26.1176 47.0158 -79.4851 0.52829 PRESSAVG: 4318200 -58.292 28.1414 22.129 28.1415 26.2866 -22.0872 22.129 -22.0873 44.4247 GPRESSAVG: 4318200 -57.8187 27.2927 22.6383 28.0856 26.991 -22.8594 20.7759 -22.0752 43.5188 TIMING: 4318200 CPU: 12547.6, 0.00287715/step Wall: 12547.6, 0.00287715/step, 0.544901 hours remaining, 209.656250 MB of memory in use. ENERGY: 4318200 736.0126 2042.8888 1962.9046 113.0141 -205594.2553 17346.2161 0.0000 0.0000 34333.1913 -149060.0278 299.8403 -183393.2191 -148966.5235 298.9627 -171.8504 -139.3191 557425.1346 4.1398 4.2304 PRESSURE: 4318400 -114.475 50.0356 1.78621 50.0365 167.714 119.755 1.78749 119.755 -160.881 GPRESSURE: 4318400 -76.5191 78.9128 -2.46039 55.2704 185.074 86.3858 -59.5767 96.0139 -122.972 PRESSAVG: 4318400 -48.2603 34.1087 33.4155 34.1087 33.1923 -26.3998 33.4154 -26.4 5.09094 GPRESSAVG: 4318400 -47.7779 33.113 32.6254 35.4826 32.6437 -25.8344 34.2206 -25.9794 4.78767 TIMING: 4318400 CPU: 12548.2, 0.00286711/step Wall: 12548.2, 0.00286711/step, 0.54284 hours remaining, 209.656250 MB of memory in use. ENERGY: 4318400 756.9779 2061.5603 1957.3745 118.9474 -205792.8831 17826.5611 0.0000 0.0000 34013.9468 -149057.5151 297.0523 -183071.4620 -148962.7438 299.2585 -35.8806 -4.8058 557695.7597 -3.3257 -3.4489 PRESSURE: 4318600 -165.813 36.9567 48.4606 36.9585 -35.1545 -43.4545 48.4605 -43.4549 -90.3944 GPRESSURE: 4318600 -174.75 -91.5507 -7.20103 31.4176 54.1736 -96.3987 50.6395 -61.0019 -69.8306 PRESSAVG: 4318600 -13.3569 48.6036 20.1341 48.6036 20.4808 -12.333 20.1341 -12.333 -8.28304 GPRESSAVG: 4318600 -13.5803 48.9786 20.1843 49.3353 20.5585 -12.3078 19.2224 -12.4859 -7.67632 TIMING: 4318600 CPU: 12548.7, 0.00289117/step Wall: 12548.7, 0.00289117/step, 0.547234 hours remaining, 209.656250 MB of memory in use. ENERGY: 4318600 761.8455 2081.4221 1969.7688 117.9220 -205844.9189 17618.9807 0.0000 0.0000 34367.4917 -148927.4880 300.1399 -183294.9798 -148833.7111 299.8151 -97.1208 -63.4691 556836.0758 -0.3864 -0.2327 PRESSURE: 4318800 -149.508 -104.855 162.215 -104.856 -208.207 -55.0698 162.214 -55.0688 -5.09043 GPRESSURE: 4318800 -139.701 -120.2 138.664 -62.5983 -153.735 -5.8549 203.324 -126.948 20.0928 PRESSAVG: 4318800 9.57417 17.508 -3.20184 17.508 -36.3812 -50.7402 -3.20189 -50.7403 14.6103 GPRESSAVG: 4318800 8.6485 17.952 -2.70142 16.9506 -36.0822 -51.8188 -4.1607 -49.8559 15.312 TIMING: 4318800 CPU: 12549.3, 0.0029028/step Wall: 12549.3, 0.0029028/step, 0.549275 hours remaining, 209.656250 MB of memory in use. ENERGY: 4318800 752.9551 2117.0647 1949.5060 100.1741 -205669.2898 17751.5080 0.0000 0.0000 34384.1280 -148613.9539 300.2851 -182998.0819 -148514.3855 300.6833 -120.9348 -91.1144 558246.9588 -4.0656 -4.0406 PRESSURE: 4319000 -19.6054 62.0411 18.1791 62.041 -215.8 -110.965 18.1779 -110.963 -203.165 GPRESSURE: 4319000 58.8953 135.643 -26.0271 66.0612 -196.281 -94.0482 66.0759 -88.6037 -190.736 PRESSAVG: 4319000 -36.7786 -0.515466 -6.51623 -0.515477 -50.8226 -32.4284 -6.51626 -32.4284 85.5066 GPRESSAVG: 4319000 -36.7904 -0.352939 -7.4885 -0.678333 -50.0203 -32.1631 -3.47423 -33.2568 84.9639 TIMING: 4319000 CPU: 12549.9, 0.00288957/step Wall: 12549.9, 0.00288957/step, 0.54661 hours remaining, 209.656250 MB of memory in use. ENERGY: 4319000 754.6890 2063.1083 1925.7095 111.4272 -205380.4953 17662.9104 0.0000 0.0000 34167.7129 -148694.9379 298.3951 -182862.6508 -148596.5312 300.9569 -146.1902 -109.3739 560983.0143 -0.6982 -0.6156 PRESSURE: 4319200 -23.8241 -235.989 100.014 -235.991 25.7141 -67.8095 100.015 -67.8095 256.546 GPRESSURE: 4319200 5.35246 -287.762 26.5733 -236.946 97.2257 -92.999 64.5465 -59.6934 241.206 PRESSAVG: 4319200 -12.4196 -15.8441 44.1833 -15.8442 17.8541 -13.5832 44.1833 -13.5831 5.75636 GPRESSAVG: 4319200 -11.4367 -18.0592 44.3375 -14.1977 16.6212 -14.6654 41.6287 -14.3423 5.13238 TIMING: 4319200 CPU: 12550.5, 0.00290838/step Wall: 12550.5, 0.00290838/step, 0.550007 hours remaining, 209.656250 MB of memory in use. ENERGY: 4319200 743.5254 2097.8395 1935.8759 110.5975 -206167.8336 17932.6568 0.0000 0.0000 34468.6306 -148878.7081 301.0231 -183347.3386 -148772.4485 299.6976 86.1452 114.5946 558368.6407 3.7303 3.4390 PRESSURE: 4319400 -307.444 45.9129 -70.9784 45.9127 -471.225 41.2495 -70.9778 41.2492 -46.9854 GPRESSURE: 4319400 -286.441 50.5555 -111.048 -40.9684 -439.734 15.1612 -97.5478 100.375 -0.00801328 PRESSAVG: 4319400 -60.08 24.6294 5.34953 24.6294 49.4042 -16.3442 5.34957 -16.3442 17.2426 GPRESSAVG: 4319400 -60.4515 26.1162 7.67644 23.2823 50.3202 -16.4495 6.93693 -14.1466 16.8199 TIMING: 4319400 CPU: 12551.1, 0.00290764/step Wall: 12551.1, 0.00290764/step, 0.549705 hours remaining, 209.656250 MB of memory in use. ENERGY: 4319400 750.3128 2074.8385 1947.7071 128.5173 -205412.4607 17380.6872 0.0000 0.0000 34191.3007 -148939.0970 298.6011 -183130.3977 -148843.7797 299.5239 -275.2183 -242.0608 559211.0060 2.1889 2.2295 PRESSURE: 4319600 -203.397 -20.4356 -62.2555 -20.4359 45.053 14.0015 -62.2562 14.0009 151.869 GPRESSURE: 4319600 -169.738 19.5534 -14.3197 25.782 66.8475 -28.0286 -72.6492 59.1735 187.253 PRESSAVG: 4319600 -55.6067 -3.46311 11.5675 -3.46311 1.71658 -5.62623 11.5675 -5.62611 76.7805 GPRESSAVG: 4319600 -55.0722 -3.75566 12.0143 -2.43259 0.851849 -5.89471 9.72434 -4.84996 77.7832 TIMING: 4319600 CPU: 12551.6, 0.00289197/step Wall: 12551.6, 0.00289196/step, 0.546581 hours remaining, 209.656250 MB of memory in use. ENERGY: 4319600 733.7686 2087.6970 1960.0491 122.4379 -205875.9233 17750.9235 0.0000 0.0000 34441.9020 -148779.1452 300.7897 -183221.0472 -148689.8225 299.7136 -2.1584 28.1206 558022.1371 7.6301 7.8543 PRESSURE: 4319800 -72.6325 4.12483 31.8067 4.12509 -41.3644 52.2937 31.8047 52.2945 128.776 GPRESSURE: 4319800 -27.6199 3.37332 -12.1705 3.76405 -37.7484 140.517 66.3742 5.29681 176.325 PRESSAVG: 4319800 -59.2968 -42.4312 -25.1412 -42.4313 36.4589 -8.59269 -25.1413 -8.59275 0.791669 GPRESSAVG: 4319800 -60.1869 -39.1756 -26.0546 -45.799 36.1779 -6.26639 -23.686 -9.60437 1.50116 TIMING: 4319800 CPU: 12552.2, 0.0029047/step Wall: 12552.2, 0.0029047/step, 0.548827 hours remaining, 209.656250 MB of memory in use. ENERGY: 4319800 727.6037 2010.1211 1935.0414 103.4039 -205899.9895 17869.8260 0.0000 0.0000 34458.4836 -148795.5098 300.9345 -183253.9934 -148694.4720 300.6696 4.9264 36.9857 559105.9589 -7.3488 -7.5026 PRESSURE: 4320000 -60.3173 -76.4661 -183.452 -76.4661 36.9586 180.886 -183.452 180.886 -231.826 GPRESSURE: 4320000 -40.7964 -119.317 -121.301 -34.2023 86.2776 223.305 -171.431 118.639 -208.972 PRESSAVG: 4320000 80.953 -25.5298 -12.8215 -25.5298 -11.0363 22.3144 -12.8215 22.3144 -43.8311 GPRESSAVG: 4320000 79.8315 -28.5086 -13.9258 -22.3426 -11.1957 21.264 -12.2705 21.9856 -42.7864 TIMING: 4320000 CPU: 12552.8, 0.0028973/step Wall: 12552.8, 0.0028973/step, 0.547269 hours remaining, 209.656250 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: 4320000 767.3985 2051.1647 1938.5080 117.6396 -205891.4219 17696.1824 0.0000 0.0000 34498.1965 -148822.3321 301.2813 -183320.5287 -148725.0386 300.6454 -85.0617 -54.4969 559299.5340 8.6952 8.6164 PRESSURE: 4320200 -73.5174 -34.1942 -167.632 -34.1961 -50.0007 41.121 -167.632 41.1193 -59.0598 GPRESSURE: 4320200 -2.53648 -63.0748 -172.925 -16.9178 -44.5261 83.7895 -69.9435 -39.9609 -36.8219 PRESSAVG: 4320200 28.1298 25.4613 -38.577 25.4613 -51.7912 46.31 -38.5769 46.31 38.3214 GPRESSAVG: 4320200 28.3745 28.2389 -37.0243 22.8899 -51.2903 45.727 -39.2768 46.5953 37.169 TIMING: 4320200 CPU: 12553.4, 0.00289392/step Wall: 12553.4, 0.00289392/step, 0.546469 hours remaining, 209.656250 MB of memory in use. ENERGY: 4320200 731.0365 2025.8930 1944.1274 124.3862 -205594.1184 17609.7991 0.0000 0.0000 34272.4035 -148886.4728 299.3094 -183158.8763 -148787.0370 299.7790 -60.8593 -27.9615 560551.6948 4.8867 4.7511 LDB: ============= START OF LOAD BALANCING ============== 12556.8 LDB: ============== END OF LOAD BALANCING =============== 12556.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12556.8 LDB: ============= START OF LOAD BALANCING ============== 12557.1 LDB: Largest compute 4849 load 0.027226 is 23.1% of average load 0.117832 LDB: Average compute 0.001738 is 1.5% of average load 0.117832 LDB: TIME 12557.1 LOAD: AVG 0.117832 MAX 0.178978 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.18 MB LDB: TIME 12557.1 LOAD: AVG 0.117832 MAX 0.178978 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: TIME 12557.1 LOAD: AVG 0.117832 MAX 0.178978 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.387 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12557.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12557.1 PRESSURE: 4320400 -127.342 44.1315 -96.125 44.1309 42.3287 -67.0448 -96.1258 -67.0454 -28.9173 GPRESSURE: 4320400 -113.628 4.80295 -52.3127 51.1317 74.7546 -123.065 -151.918 -40.2791 41.5739 PRESSAVG: 4320400 -29.3077 43.3613 -32.6722 43.3611 -17.0711 50.2355 -32.6722 50.2356 19.1934 GPRESSAVG: 4320400 -29.242 41.13 -32.3114 46.4705 -16.894 51.7812 -34.4201 48.6187 19.4888 TIMING: 4320400 CPU: 12554, 0.00294277/step Wall: 12554, 0.00294277/step, 0.55553 hours remaining, 207.097656 MB of memory in use. ENERGY: 4320400 755.5667 2065.6410 1934.6686 114.2939 -206314.7728 17934.1223 0.0000 0.0000 34613.8902 -148896.5902 302.2917 -183510.4804 -148803.1371 299.5823 -37.9769 0.9001 557261.2333 -9.0618 -8.8824 PRESSURE: 4320600 -407.37 -148.39 113.993 -148.39 -284.732 -112.896 113.991 -112.895 -158.316 GPRESSURE: 4320600 -333.727 -172.977 92.7339 -123.155 -223.065 -68.255 184.045 -100.002 -198.586 PRESSAVG: 4320600 -25.1715 23.0169 10.5712 23.0169 -7.49472 -3.07634 10.5711 -3.0764 9.97898 GPRESSAVG: 4320600 -24.4148 23.5354 10.0559 21.999 -7.7432 -4.34493 12.5458 0.074161 8.47086 TIMING: 4320600 CPU: 12554.5, 0.00288871/step Wall: 12554.5, 0.00288871/step, 0.545165 hours remaining, 207.097656 MB of memory in use. ENERGY: 4320600 759.7480 2033.9925 1983.6576 113.2751 -205593.5732 17317.8465 0.0000 0.0000 34389.9918 -148995.0617 300.3364 -183385.0535 -148893.2081 300.1653 -283.4727 -251.7924 558302.7564 -7.5624 -7.8957 PRESSURE: 4320800 -41.1942 -44.095 64.0725 -44.0935 -99.3541 124.697 64.0728 124.699 -138.641 GPRESSURE: 4320800 46.4177 -40.0816 124.891 -68.2559 -65.4752 150.295 34.7408 84.9999 -164.024 PRESSAVG: 4320800 -17.2163 -21.2731 22.3866 -21.2731 -13.1047 0.195567 22.3865 0.195583 -14.0154 GPRESSAVG: 4320800 -17.5248 -20.5058 21.975 -23.6321 -12.7264 0.68804 23.0195 -0.422397 -13.9949 TIMING: 4320800 CPU: 12555.1, 0.00291415/step Wall: 12555.1, 0.00291415/step, 0.549804 hours remaining, 207.097656 MB of memory in use. ENERGY: 4320800 719.9270 2076.9531 1946.0239 107.6568 -205666.1761 17625.2477 0.0000 0.0000 34073.6002 -149116.7674 297.5732 -183190.3675 -149024.7543 299.3195 -93.0629 -61.0272 557813.9525 -14.7788 -14.7487 PRESSURE: 4321000 -65.9968 111.91 -207.066 111.911 -183.502 -131.24 -207.066 -131.239 116.22 GPRESSURE: 4321000 -25.7073 146.696 -127.333 39.2246 -134.692 -130.825 -198.709 -127.084 122.467 PRESSAVG: 4321000 20.2112 36.2545 -9.60141 36.2545 -35.051 26.0472 -9.60141 26.0473 47.4357 GPRESSAVG: 4321000 20.6828 33.728 -8.45505 38.4451 -35.6419 24.0734 -8.65438 26.6146 47.7529 TIMING: 4321000 CPU: 12555.7, 0.00291007/step Wall: 12555.7, 0.00291007/step, 0.548871 hours remaining, 207.390625 MB of memory in use. ENERGY: 4321000 759.6850 2064.6611 1940.1111 113.5417 -205950.1674 17785.7879 0.0000 0.0000 34297.5897 -148988.7908 299.5294 -183286.3806 -148895.9024 298.9749 -44.4261 -12.6442 557109.2787 10.8653 10.9313 PRESSURE: 4321200 -122.78 -84.0865 82.0943 -84.0859 146.93 73.1452 82.0934 73.1453 65.4987 GPRESSURE: 4321200 -96.7129 -124.027 111.198 -85.5068 201.083 109.988 141.231 -0.93571 88.0278 PRESSAVG: 4321200 -70.4706 27.034 -26.211 27.0339 93.1739 -31.2434 -26.2109 -31.2433 -18.9159 GPRESSAVG: 4321200 -70.4742 27.5454 -27.2519 24.6541 93.1396 -28.2368 -26.5542 -33.0565 -19.4832 TIMING: 4321200 CPU: 12556.3, 0.00289415/step Wall: 12556.3, 0.00289415/step, 0.545709 hours remaining, 207.390625 MB of memory in use. ENERGY: 4321200 741.7644 2066.8178 1969.4294 111.6345 -205705.5934 17691.3256 0.0000 0.0000 34239.3510 -148885.2706 299.0208 -183124.6216 -148780.2883 299.6741 29.8831 64.1326 558011.0699 1.2624 1.0607 PRESSURE: 4321400 -13.947 70.928 44.186 70.9293 252.336 30.1507 44.1866 30.1506 4.65663 GPRESSURE: 4321400 12.4271 127.559 -20.1974 64.7011 248.512 141.99 62.2385 -93.081 81.871 PRESSAVG: 4321400 -9.69846 28.2432 28.4932 28.2432 -22.0732 -14.7779 28.4933 -14.7779 42.1548 GPRESSAVG: 4321400 -10.0606 27.7006 27.3284 30.1506 -21.7688 -14.1894 29.3427 -14.2131 41.4694 TIMING: 4321400 CPU: 12556.9, 0.00289306/step Wall: 12556.9, 0.00289306/step, 0.545342 hours remaining, 207.390625 MB of memory in use. ENERGY: 4321400 724.0869 2107.8710 1949.1357 112.4508 -205936.8785 17838.6864 0.0000 0.0000 34320.5859 -148884.0619 299.7302 -183204.6478 -148787.4645 300.2142 81.0152 114.2700 557886.1385 3.4611 3.2133 PRESSURE: 4321600 -236.309 79.4841 -82.8465 79.4852 -144.716 -12.9917 -82.8452 -12.9925 -376.269 GPRESSURE: 4321600 -245.006 86.6297 13.1027 61.0066 -86.4365 -15.2877 -169.064 19.5472 -322.938 PRESSAVG: 4321600 -20.9817 42.2297 28.9678 42.2297 -46.4779 1.31143 28.9678 1.31142 44.065 GPRESSAVG: 4321600 -19.9335 43.3241 30.0158 41.5241 -46.9451 0.628426 29.8045 0.782811 44.1065 TIMING: 4321600 CPU: 12557.4, 0.00287535/step Wall: 12557.4, 0.00287535/step, 0.541844 hours remaining, 207.390625 MB of memory in use. ENERGY: 4321600 746.4549 2118.1633 1952.6570 100.2064 -205746.2263 17536.4083 0.0000 0.0000 34220.9479 -149071.3886 298.8600 -183292.3364 -148977.8173 299.6869 -252.4314 -218.1270 559024.2091 -7.7982 -7.5907 PRESSURE: 4321800 -290.627 -61.527 1.21176 -61.527 -33.2547 53.0179 1.21054 53.0169 -1.64264 GPRESSURE: 4321800 -300.554 -106.674 62.2882 3.5043 -4.75026 81.1705 8.82742 16.8135 81.9972 PRESSAVG: 4321800 32.6357 17.8926 4.73221 17.8925 -26.2855 32.5678 4.73209 32.5677 -18.0396 GPRESSAVG: 4321800 32.3 17.1561 5.24312 17.8892 -26.4673 32.0973 2.65183 32.3231 -17.6152 TIMING: 4321800 CPU: 12558, 0.00288494/step Wall: 12558, 0.00288494/step, 0.54349 hours remaining, 207.390625 MB of memory in use. ENERGY: 4321800 763.6959 2088.8599 1961.5913 108.4108 -206139.8166 17741.6580 0.0000 0.0000 34446.9116 -149028.6891 300.8334 -183475.6007 -148941.0760 299.7914 -108.5081 -74.4356 558050.7093 -3.8965 -3.9275 PRESSURE: 4322000 88.5016 -97.2233 -44.4105 -97.2229 -132.454 0.89456 -44.4083 0.893877 -49.6423 GPRESSURE: 4322000 105.789 -117.463 -6.2624 -31.9237 -115.894 61.9446 -114.09 -29.7061 16.409 PRESSAVG: 4322000 -22.5236 -57.1089 18.2974 -57.1088 58.5121 15.8649 18.2974 15.8647 -13.8997 GPRESSAVG: 4322000 -23.962 -57.1759 18.7023 -54.2994 58.8425 13.1911 18.0392 17.0839 -12.6386 TIMING: 4322000 CPU: 12558.6, 0.00288727/step Wall: 12558.6, 0.00288727/step, 0.543768 hours remaining, 207.390625 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: 4322000 692.2679 2080.9501 1974.6508 108.1931 -205839.6689 17667.2642 0.0000 0.0000 34189.4119 -149126.9310 298.5846 -183316.3428 -149034.8033 299.3799 -31.1982 2.1013 557319.2260 7.3629 7.4140 PRESSURE: 4322200 71.9139 24.8124 -75.3101 24.8131 25.3919 96.3641 -75.3091 96.3652 -65.6481 GPRESSURE: 4322200 88.7525 56.8014 8.86732 75.5718 0.509585 123.702 -106.726 44.6063 31.4507 PRESSAVG: 4322200 -8.9892 15.4914 -78.8263 15.4915 20.6687 -31.4229 -78.8263 -31.4227 -16.8271 GPRESSAVG: 4322200 -7.9129 15.2442 -78.3777 14.8196 19.3351 -29.7208 -77.1977 -30.7582 -16.9521 TIMING: 4322200 CPU: 12559.2, 0.00288918/step Wall: 12559.2, 0.00288918/step, 0.543969 hours remaining, 207.390625 MB of memory in use. ENERGY: 4322200 733.1357 2082.5896 1944.0533 117.5498 -205931.6750 17845.9978 0.0000 0.0000 34014.3165 -149194.0323 297.0555 -183208.3489 -149098.4153 299.9514 10.5526 40.2376 558890.8693 -1.7159 -1.8433 PRESSURE: 4322400 -50.7277 75.5988 -11.2911 75.5971 217.062 -15.4371 -11.2904 -15.4387 -180.343 GPRESSURE: 4322400 -31.6085 106.23 -5.66504 9.20118 228.884 -47.2562 48.7068 -41.1516 -116.217 PRESSAVG: 4322400 33.7338 12.9969 22.7058 12.9969 -9.48614 17.3046 22.7059 17.3046 -17.7319 GPRESSAVG: 4322400 32.8353 13.6572 21.8861 12.0376 -8.36609 17.3429 22.2993 19.3879 -18.2933 TIMING: 4322400 CPU: 12559.8, 0.00289088/step Wall: 12559.8, 0.00289088/step, 0.544128 hours remaining, 207.390625 MB of memory in use. ENERGY: 4322400 769.9543 2020.9342 1931.5923 121.8176 -206407.7333 18039.9478 0.0000 0.0000 34210.4686 -149313.0184 298.7685 -183523.4870 -149224.6695 298.9223 -4.6693 27.0197 557279.8270 2.1719 2.0586 PRESSURE: 4322600 -190.174 -38.0223 -86.6119 -38.0214 -63.234 224.566 -86.6112 224.566 -69.9702 GPRESSURE: 4322600 -104.019 -4.28482 -68.3019 37.6762 -94.6678 215.926 -39.6664 306.842 -31.3311 PRESSAVG: 4322600 -5.96963 4.59025 -59.2831 4.59021 80.8001 81.647 -59.2831 81.6469 -47.7165 GPRESSAVG: 4322600 -6.47787 4.91903 -60.1814 4.33784 81.113 81.0492 -58.997 77.3094 -47.3299 TIMING: 4322600 CPU: 12560.3, 0.00289728/step Wall: 12560.3, 0.00289728/step, 0.545171 hours remaining, 207.390625 MB of memory in use. ENERGY: 4322600 734.4507 2073.8742 1959.6478 119.5500 -205731.2239 17626.7141 0.0000 0.0000 34058.6332 -149158.3541 297.4425 -183216.9872 -149068.3819 298.2252 -107.7929 -76.6728 558313.8167 9.0380 9.1018 PRESSURE: 4322800 117.956 21.0213 -39.3242 21.0205 148.298 161.562 -39.3234 161.562 230.19 GPRESSURE: 4322800 141.133 13.3972 -96.4377 23.2883 165.179 102.783 -1.63926 136.387 278.094 PRESSAVG: 4322800 -1.45026 -31.7805 -7.55537 -31.7805 42.2925 49.1109 -7.55537 49.1109 -28.294 GPRESSAVG: 4322800 -0.815277 -34.0524 -6.16753 -31.9433 42.5136 48.8009 -9.0666 50.9664 -29.4893 TIMING: 4322800 CPU: 12560.9, 0.00288055/step Wall: 12560.9, 0.00288055/step, 0.541863 hours remaining, 207.390625 MB of memory in use. ENERGY: 4322800 755.4005 2083.8062 1964.1955 128.5121 -205973.0449 17906.2730 0.0000 0.0000 34148.5072 -148986.3503 298.2274 -183134.8576 -148888.8543 299.3972 165.4812 194.8022 556399.6174 4.1827 4.0697 PRESSURE: 4323000 97.4475 -91.09 -15.1608 -91.0912 260.305 104.808 -15.1602 104.808 -131.524 GPRESSURE: 4323000 125.319 -60.9868 -113.959 0.239687 236.619 102.812 -43.7611 95.6129 -45.7602 PRESSAVG: 4323000 -47.6811 16.545 -35.6079 16.545 26.4792 50.6105 -35.6078 50.6105 7.06456 GPRESSAVG: 4323000 -47.7889 17.8138 -36.5681 16.49 25.8965 51.2613 -36.2803 49.3104 7.691 TIMING: 4323000 CPU: 12561.5, 0.00286512/step Wall: 12561.5, 0.00286512/step, 0.538801 hours remaining, 207.390625 MB of memory in use. ENERGY: 4323000 753.7188 2057.4686 1942.4807 113.3288 -205709.7158 17841.1147 0.0000 0.0000 34300.7262 -148700.8780 299.5568 -183001.6042 -148606.8050 300.2849 75.4097 105.3925 557076.9947 -4.7125 -4.7338 PRESSURE: 4323200 -36.1774 1.38883 -92.5879 1.38859 327.813 47.4346 -92.5892 47.4331 18.2546 GPRESSURE: 4323200 -30.0033 -5.57236 -2.97241 -23.1626 376.569 -42.8515 2.45509 48.194 52.6915 PRESSAVG: 4323200 59.0357 -4.88717 -14.2679 -4.8872 56.1935 90.38 -14.2679 90.38 -122.808 GPRESSAVG: 4323200 58.9833 -3.74504 -15.0058 -4.95354 57.082 91.6418 -13.1753 91.1081 -122.858 TIMING: 4323200 CPU: 12562.1, 0.00287308/step Wall: 12562.1, 0.00287308/step, 0.54014 hours remaining, 207.390625 MB of memory in use. ENERGY: 4323200 750.0176 2148.5062 1964.4362 113.6507 -205657.0688 17719.0805 0.0000 0.0000 34355.0046 -148606.3729 300.0308 -182961.3775 -148503.8683 300.0484 103.2969 133.0856 557067.3883 -2.5262 -2.2643 PRESSURE: 4323400 112.177 -138.415 2.89881 -138.416 17.3478 -23.4159 2.89922 -23.4151 -139.709 GPRESSURE: 4323400 117.35 -89.4338 35.4796 -130.502 57.4308 23.7533 60.4088 30.2686 -88.5263 PRESSAVG: 4323400 -2.31013 16.7279 -18.4809 16.7279 88.8078 35.3644 -18.4809 35.3645 -67.0948 GPRESSAVG: 4323400 -2.62993 16.7929 -17.2604 15.9365 88.4435 32.0836 -18.8716 36.3472 -66.6584 TIMING: 4323400 CPU: 12562.6, 0.00289603/step Wall: 12562.6, 0.00289603/step, 0.544293 hours remaining, 207.390625 MB of memory in use. ENERGY: 4323400 764.2583 2065.1384 1944.7523 112.1746 -205879.3370 17867.8223 0.0000 0.0000 34564.4743 -148560.7168 301.8602 -183125.1911 -148467.2464 300.9565 -3.3946 28.7516 558455.6669 6.4676 6.3851 PRESSURE: 4323600 -83.3712 -31.2448 -151.736 -31.2448 95.7717 -0.966531 -151.735 -0.966692 -118.595 GPRESSURE: 4323600 -38.5212 91.2691 -135.462 -126.317 105.762 12.0859 -169.217 -44.6377 -75.995 PRESSAVG: 4323600 20.8376 -26.5317 -33.2935 -26.5317 -21.3713 -6.22638 -33.2935 -6.22626 -29.826 GPRESSAVG: 4323600 20.4292 -27.0322 -33.849 -27.1913 -20.7068 -3.99884 -35.1238 -6.55846 -29.9499 TIMING: 4323600 CPU: 12563.2, 0.00288637/step Wall: 12563.2, 0.00288637/step, 0.542317 hours remaining, 207.390625 MB of memory in use. ENERGY: 4323600 754.7545 2084.7335 1944.1886 115.9372 -205487.8101 17622.9177 0.0000 0.0000 34522.9105 -148442.3682 301.4972 -182965.2787 -148342.8358 301.0621 -35.3980 -2.9180 559866.6562 -10.1199 -10.0758 PRESSURE: 4323800 -79.5986 186.185 30.2989 186.187 138.624 75.475 30.2974 75.4757 -112.308 GPRESSURE: 4323800 11.7703 192.994 33.2885 157.733 127.629 94.2635 67.4073 135.56 -109.41 PRESSAVG: 4323800 -5.2922 -1.88373 -7.83515 -1.88365 -18.4037 -43.9548 -7.83516 -43.955 33.2049 GPRESSAVG: 4323800 -4.63768 -2.18842 -8.03177 -1.38162 -18.5821 -43.6111 -5.16156 -44.2303 33.283 TIMING: 4323800 CPU: 12563.8, 0.00291353/step Wall: 12563.8, 0.00291353/step, 0.547258 hours remaining, 207.390625 MB of memory in use. ENERGY: 4323800 752.5599 2097.2828 1940.9416 110.0111 -205741.8220 17745.9614 0.0000 0.0000 34518.2728 -148576.7924 301.4567 -183095.0652 -148483.6272 301.2171 -17.7608 9.9963 559068.1142 3.1697 3.3544 PRESSURE: 4324000 -9.48978 -166.621 35.257 -166.621 -2.20003 -58.9885 35.2577 -58.9876 251.079 GPRESSURE: 4324000 44.5233 -168.176 58.5986 -180.579 27.9631 -138.176 38.9448 -92.7118 246.914 PRESSAVG: 4324000 -0.960172 -25.1442 -46.0915 -25.1442 22.1042 -19.9494 -46.0916 -19.9494 -33.3186 GPRESSAVG: 4324000 -1.10436 -26.6826 -45.4638 -24.733 22.0867 -20.4848 -46.8327 -20.0923 -33.4125 TIMING: 4324000 CPU: 12564.4, 0.00290672/step Wall: 12564.4, 0.00290672/step, 0.545817 hours remaining, 207.390625 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: 4324000 707.8273 2089.9548 1980.7276 112.9162 -205700.4813 17880.6396 0.0000 0.0000 34452.1416 -148476.2741 300.8791 -182928.4157 -148373.4576 300.7969 79.7964 106.4669 560230.7889 -4.0582 -4.1434 PRESSURE: 4324200 -70.0662 -107.683 9.79204 -107.683 228.877 -215.536 9.79292 -215.536 133.063 GPRESSURE: 4324200 -41.8249 -124.846 12.7878 -126.043 240.616 -284.238 -53.5096 -201.807 182.881 PRESSAVG: 4324200 27.0427 -8.84885 -2.42176 -8.84877 -20.9836 -50.9174 -2.42176 -50.9175 -0.5068 GPRESSAVG: 4324200 27.0591 -7.99653 -1.94938 -6.82483 -20.9769 -49.9125 -3.69309 -52.0263 -0.146547 TIMING: 4324200 CPU: 12565, 0.00289676/step Wall: 12565, 0.00289676/step, 0.543786 hours remaining, 207.390625 MB of memory in use. ENERGY: 4324200 762.0954 2149.2699 1961.8837 109.9721 -206188.9905 17982.1885 0.0000 0.0000 34591.4036 -148632.1774 302.0953 -183223.5810 -148540.2328 301.1554 97.2913 127.2239 557740.7690 1.8508 1.9786 LDB: ============= START OF LOAD BALANCING ============== 12568.4 LDB: ============== END OF LOAD BALANCING =============== 12568.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12568.4 LDB: ============= START OF LOAD BALANCING ============== 12568.7 LDB: Largest compute 4848 load 0.026818 is 22.8% of average load 0.117835 LDB: Average compute 0.001741 is 1.5% of average load 0.117835 LDB: TIME 12568.7 LOAD: AVG 0.117835 MAX 0.18062 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.84 MB LDB: TIME 12568.7 LOAD: AVG 0.117835 MAX 0.18062 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.969 MB LDB: TIME 12568.7 LOAD: AVG 0.117835 MAX 0.18062 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.969 MB LDB: ============== END OF LOAD BALANCING =============== 12568.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12568.7 PRESSURE: 4324400 -142.842 -19.7496 -11.2464 -19.7512 167.21 73.3924 -11.2467 73.3913 -204.692 GPRESSURE: 4324400 -86.8136 8.07138 -0.855828 -60.9245 217.042 148.881 -32.8947 54.4274 -204.467 PRESSAVG: 4324400 -24.2869 28.5573 -23.8837 28.5574 40.2728 -21.3028 -23.8837 -21.3028 -9.04558 GPRESSAVG: 4324400 -23.339 28.8967 -25.2932 25.5193 40.0734 -21.6941 -23.5149 -20.2215 -9.91353 TIMING: 4324400 CPU: 12565.5, 0.00295143/step Wall: 12565.5, 0.00295143/step, 0.553885 hours remaining, 206.589844 MB of memory in use. ENERGY: 4324400 710.7639 2049.8305 1929.5250 100.9325 -205813.5941 17772.9360 0.0000 0.0000 34451.9516 -148797.6547 300.8775 -183249.6062 -148695.0495 300.6049 -60.1079 -24.7462 559618.3059 2.3134 2.2736 PRESSURE: 4324600 201.237 -48.066 61.4483 -48.0651 16.9876 11.9229 61.4488 11.9223 54.6732 GPRESSURE: 4324600 243.803 7.32412 123.34 -54.2779 49.5974 21.3736 53.291 2.01198 73.1726 PRESSAVG: 4324600 15.4961 14.267 21.5425 14.2671 4.5268 -26.3429 21.5425 -26.343 -56.9534 GPRESSAVG: 4324600 14.7132 12.7918 23.425 17.4076 4.43164 -25.7139 21.3895 -26.2252 -56.4836 TIMING: 4324600 CPU: 12566.1, 0.00288196/step Wall: 12566.1, 0.00288196/step, 0.540688 hours remaining, 206.589844 MB of memory in use. ENERGY: 4324600 788.0331 2147.5304 1945.2187 111.5742 -206359.1662 18135.6234 0.0000 0.0000 34330.8855 -148900.3009 299.8202 -183231.1864 -148809.2703 300.7141 90.9658 122.1909 558256.0142 -12.3102 -12.4463 PRESSURE: 4324800 117.055 -13.4941 -11.6207 -13.4934 181.023 -28.2138 -11.6206 -28.2143 286.687 GPRESSURE: 4324800 138.566 15.845 -73.8243 -36.6683 191.745 54.9055 103.526 -5.93985 362.844 PRESSAVG: 4324800 4.63946 -38.0412 -33.142 -38.0413 -20.9642 22.2477 -33.1419 22.2478 31.0741 GPRESSAVG: 4324800 5.11043 -35.9561 -33.3099 -38.4431 -21.4368 20.7453 -33.2354 21.8733 31.3322 TIMING: 4324800 CPU: 12566.7, 0.00288497/step Wall: 12566.7, 0.00288497/step, 0.541092 hours remaining, 206.714844 MB of memory in use. ENERGY: 4324800 746.1346 2098.2833 1964.7559 111.2489 -206507.6441 18141.3974 0.0000 0.0000 34446.2343 -148999.5897 300.8275 -183445.8240 -148897.2755 300.1876 194.9217 231.0515 557698.8073 4.9164 5.0019 PRESSURE: 4325000 -84.1908 107.534 -105.592 107.534 98.4447 -117.588 -105.594 -117.588 182.86 GPRESSURE: 4325000 -45.3 194.902 -105.233 123.154 94.6116 -56.5215 -93.3929 -188.681 244.343 PRESSAVG: 4325000 29.6421 21.268 16.7141 21.268 -32.4346 -39.2571 16.7141 -39.257 -38.1897 GPRESSAVG: 4325000 29.9832 22.8645 14.6673 18.6688 -32.8529 -37.8714 19.4136 -38.156 -37.75 TIMING: 4325000 CPU: 12567.3, 0.00289332/step Wall: 12567.3, 0.00289331/step, 0.542497 hours remaining, 206.714844 MB of memory in use. ENERGY: 4325000 743.5564 2112.3799 1986.2069 104.5497 -206370.6935 18063.9307 0.0000 0.0000 34255.6534 -149104.4164 299.1631 -183360.0698 -149013.5421 299.9230 65.7048 97.8850 558567.2023 -13.6607 -13.5399 PRESSURE: 4325200 266.868 -13.4949 -132.344 -13.4938 -26.0165 51.0357 -132.343 51.0349 -7.52448 GPRESSURE: 4325200 318.296 -89.7337 -106.19 -6.4452 29.0515 15.8796 -124.727 79.2423 -7.21592 PRESSAVG: 4325200 -33.49 7.50227 -18.72 7.50229 25.8124 -31.5772 -18.7199 -31.5772 -20.768 GPRESSAVG: 4325200 -34.0812 4.68899 -17.779 10.8895 27.0798 -33.1026 -21.1586 -32.5679 -21.5672 TIMING: 4325200 CPU: 12567.9, 0.00289973/step Wall: 12567.9, 0.00289973/step, 0.543539 hours remaining, 206.714844 MB of memory in use. ENERGY: 4325200 775.5054 2034.4440 1947.2402 109.2204 -206427.6016 18030.5244 0.0000 0.0000 34491.2225 -149039.4447 301.2204 -183530.6672 -148940.8594 299.4497 77.7756 113.3771 557404.3776 -9.4818 -9.5229 PRESSURE: 4325400 -123.896 -152.602 75.1821 -152.604 238.544 41.0495 75.1829 41.0491 -16.9112 GPRESSURE: 4325400 -124.802 -166.831 71.0751 -116.236 318.446 16.1807 -25.8986 31.735 -2.71215 PRESSAVG: 4325400 -18.2464 -48.5947 23.5053 -48.5947 46.4798 -0.477339 23.5053 -0.477318 -3.35329 GPRESSAVG: 4325400 -17.6775 -47.5582 23.8266 -48.2284 44.8149 1.31836 24.0888 -0.994728 -1.93157 TIMING: 4325400 CPU: 12568.4, 0.00290349/step Wall: 12568.4, 0.00290349/step, 0.544082 hours remaining, 206.714844 MB of memory in use. ENERGY: 4325400 723.1344 2081.3860 1971.6971 121.1995 -206427.7254 17965.2291 0.0000 0.0000 34456.0541 -149109.0252 300.9133 -183565.0793 -149016.4226 299.7230 32.5789 63.6439 556895.7610 8.2933 8.4020 PRESSURE: 4325600 -16.2064 26.3867 -94.7809 26.3852 95.5183 18.5877 -94.7806 18.5879 -243.266 GPRESSURE: 4325600 -23.2855 32.4115 -70.2727 -19.6177 152.78 -5.41943 -107.962 39.6304 -187.662 PRESSAVG: 4325600 -20.299 -12.7154 2.93494 -12.7153 75.4723 -18.3122 2.93504 -18.3122 -55.6151 GPRESSAVG: 4325600 -20.9868 -13.0627 3.96455 -14.083 76.7309 -19.4394 0.634971 -18.4804 -56.154 TIMING: 4325600 CPU: 12569, 0.00287944/step Wall: 12569, 0.00287944/step, 0.539415 hours remaining, 206.714844 MB of memory in use. ENERGY: 4325600 751.7557 2076.5812 1987.0439 108.7443 -206574.2230 17998.3697 0.0000 0.0000 34493.2245 -149158.5037 301.2379 -183651.7282 -149060.7270 299.5580 -54.6514 -19.3890 557623.9808 -0.1473 -0.1366 PRESSURE: 4325800 -174.259 132.765 8.30182 132.765 -28.5878 53.2015 8.30135 53.2018 -244.641 GPRESSURE: 4325800 -74.5537 162.117 26.2772 179.592 -29.7846 110.5 -37.7802 -60.2052 -244.702 PRESSAVG: 4325800 15.635 -8.71348 18.9296 -8.71348 -11.1185 -4.49175 18.9296 -4.49168 -5.30675 GPRESSAVG: 4325800 15.062 -9.05063 16.5211 -9.08008 -10.4637 -3.68959 20.2149 -5.18915 -5.24787 TIMING: 4325800 CPU: 12569.6, 0.00290987/step Wall: 12569.6, 0.00290987/step, 0.544953 hours remaining, 206.714844 MB of memory in use. ENERGY: 4325800 737.9685 2090.1876 1940.6152 98.1794 -205749.6890 17563.5547 0.0000 0.0000 34265.8617 -149053.3219 299.2523 -183319.1836 -148972.0978 299.8362 -149.1626 -116.3468 558231.7799 -0.2634 -0.2165 PRESSURE: 4326000 176.271 -73.3505 42.1642 -73.3513 43.0391 216.946 42.1639 216.946 51.0066 GPRESSURE: 4326000 201.25 -96.0235 47.0696 -44.6378 90.6075 214.757 44.9159 265.062 80.0446 PRESSAVG: 4326000 25.7603 -61.2585 0.447699 -61.2586 -15.0617 -24.4592 0.44769 -24.4594 -33.8915 GPRESSAVG: 4326000 27.0629 -61.5713 -0.459278 -60.1561 -17.1321 -26.1337 2.28644 -22.4598 -33.4714 TIMING: 4326000 CPU: 12570.2, 0.00290105/step Wall: 12570.2, 0.00290105/step, 0.543141 hours remaining, 206.714844 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: 4326000 719.6333 2041.6787 1939.3166 99.0255 -206022.3825 17959.0703 0.0000 0.0000 34177.4287 -149086.2294 298.4800 -183263.6581 -148990.8801 298.7797 90.1055 123.9675 559691.2848 -7.7309 -7.8469 PRESSURE: 4326200 -325.221 -70.7667 -194.968 -70.7669 -359.014 183.313 -194.968 183.311 -226.471 GPRESSURE: 4326200 -271.572 -6.68809 -201.388 -106.534 -313.48 233.855 -134.712 144.568 -229.401 PRESSAVG: 4326200 -23.5442 -24.5865 -54.0254 -24.5865 29.8404 67.9107 -54.0254 67.9106 -11.948 GPRESSAVG: 4326200 -24.381 -23.8384 -51.7082 -24.8634 32.1694 68.3227 -54.0424 67.5418 -12.8666 TIMING: 4326200 CPU: 12570.8, 0.00291245/step Wall: 12570.8, 0.00291245/step, 0.545113 hours remaining, 206.714844 MB of memory in use. ENERGY: 4326200 743.3174 2076.0042 1937.1273 112.7400 -205821.3002 17406.4131 0.0000 0.0000 34299.7256 -149245.9726 299.5480 -183545.6981 -149141.6497 298.5171 -303.5687 -271.4845 560588.9001 -1.8839 -1.6927 PRESSURE: 4326400 -283.258 -50.4614 -81.801 -50.462 125.011 12.0534 -81.8009 12.0535 6.46715 GPRESSURE: 4326400 -295.678 -51.5976 -62.769 -102.153 129.893 38.4606 -92.9306 27.2027 111.304 PRESSAVG: 4326400 9.7241 -49.1072 -55.8816 -49.1072 16.7186 14.9844 -55.8817 14.9844 37.0427 GPRESSAVG: 4326400 11.2212 -48.8509 -55.5066 -49.8362 15.2029 15.9908 -57.0476 15.0639 37.2709 TIMING: 4326400 CPU: 12571.3, 0.00290598/step Wall: 12571.3, 0.00290598/step, 0.543741 hours remaining, 206.714844 MB of memory in use. ENERGY: 4326400 769.9146 2101.0973 1935.1448 103.2741 -206309.1727 17716.9644 0.0000 0.0000 34341.0806 -149341.6970 299.9092 -183682.7776 -149246.8074 299.2772 -50.5933 -18.1605 556152.4818 21.1618 21.2317 PRESSURE: 4326600 -91.0935 14.5261 -141.167 14.5254 128.765 -192.995 -141.166 -192.996 -178.551 GPRESSURE: 4326600 -74.6602 -31.8826 -29.4466 3.33612 152.188 -230.164 -155.813 -85.2363 -119.986 PRESSAVG: 4326600 40.6525 -20.8182 -0.814546 -20.8182 5.59491 9.54737 -0.81459 9.54734 -8.69539 GPRESSAVG: 4326600 40.2746 -20.7348 -2.29755 -21.0711 6.13582 9.19768 -0.786528 9.094 -8.90217 TIMING: 4326600 CPU: 12571.9, 0.0028834/step Wall: 12571.9, 0.0028834/step, 0.539356 hours remaining, 206.714844 MB of memory in use. ENERGY: 4326600 736.7325 2081.6816 1967.8919 115.5685 -206302.5123 17714.3145 0.0000 0.0000 34319.1038 -149367.2195 299.7173 -183686.3233 -149272.1306 299.0920 -46.9597 -14.1528 557597.4918 12.5174 12.5028 PRESSURE: 4326800 186.262 -136.042 -39.3727 -136.043 7.81158 -222.313 -39.3722 -222.312 -96.3994 GPRESSURE: 4326800 194.058 -220.857 -63.7804 -84.2524 58.1938 -169.267 -66.084 -259.883 -73.9949 PRESSAVG: 4326800 -51.329 33.0144 -52.2066 33.0145 30.798 -33.303 -52.2065 -33.303 -23.1912 GPRESSAVG: 4326800 -51.947 33.63 -53.6756 32.3977 31.2893 -33.9215 -51.2288 -33.4041 -22.8689 TIMING: 4326800 CPU: 12572.5, 0.00290381/step Wall: 12572.5, 0.00290381/step, 0.543012 hours remaining, 206.714844 MB of memory in use. ENERGY: 4326800 762.8741 2073.1377 1960.8662 103.6056 -206399.3727 17995.1255 0.0000 0.0000 34167.6242 -149336.1393 298.3944 -183503.7635 -149241.2063 299.1397 32.5580 59.4189 557222.6742 -14.5740 -14.5089 PRESSURE: 4327000 -295.516 2.99984 -86.9853 2.9987 -451.869 16.961 -86.9832 16.9594 -211.084 GPRESSURE: 4327000 -264.715 16.3243 -36.0397 -37.8204 -382.543 -12.6089 -94.6714 -31.5 -204.14 PRESSAVG: 4327000 11.2231 -30.2146 -20.3697 -30.2146 -77.4441 -4.99811 -20.3697 -4.99827 22.565 GPRESSAVG: 4327000 10.4569 -30.5143 -17.2779 -29.7601 -76.421 -5.14483 -21.0045 -1.48128 22.2204 TIMING: 4327000 CPU: 12573.1, 0.00289688/step Wall: 12573.1, 0.00289688/step, 0.541556 hours remaining, 206.714844 MB of memory in use. ENERGY: 4327000 800.4762 2069.4604 1945.9133 110.0934 -206065.0157 17432.9231 0.0000 0.0000 34463.7985 -149242.3507 300.9809 -183706.1491 -149136.3941 298.4953 -319.4893 -283.7997 557763.7205 -14.5520 -14.5812 PRESSURE: 4327200 232.889 -24.0232 -91.2163 -24.0224 -241.034 51.4643 -91.2171 51.463 86.8596 GPRESSURE: 4327200 232.008 -27.4485 -52.3953 41.3611 -168.039 49.2784 -145.186 16.5616 107.055 PRESSAVG: 4327200 90.6128 18.079 -26.3895 18.0789 -112.782 23.4332 -26.3894 23.4331 23.7279 GPRESSAVG: 4327200 89.9324 17.6249 -27.0702 17.715 -112.157 25.0154 -25.316 18.5318 23.8163 TIMING: 4327200 CPU: 12573.7, 0.0028878/step Wall: 12573.7, 0.0028878/step, 0.539698 hours remaining, 206.714844 MB of memory in use. ENERGY: 4327200 767.7044 2118.2356 1915.4973 122.4752 -206559.9813 18030.0159 0.0000 0.0000 34240.5689 -149365.4841 299.0314 -183606.0530 -149270.9401 298.9019 26.2384 57.0078 556717.6915 0.5195 0.5306 PRESSURE: 4327400 -247.75 20.1199 0.834008 20.12 -315.509 -190.649 0.833904 -190.649 -66.1778 GPRESSURE: 4327400 -134.356 -65.4594 -105.112 19.3761 -330.999 -122.626 43.9218 -237.787 -68.2408 PRESSAVG: 4327400 -18.6421 25.0654 10.5409 25.0655 30.7118 11.1484 10.5408 11.1484 21.9738 GPRESSAVG: 4327400 -17.82 26.2515 9.15334 24.9419 28.6248 14.188 9.97481 12.1483 22.9529 TIMING: 4327400 CPU: 12574.2, 0.00287313/step Wall: 12574.2, 0.00287313/step, 0.536796 hours remaining, 206.714844 MB of memory in use. ENERGY: 4327400 762.9862 2134.2140 1969.8254 112.6166 -206388.4003 17761.5944 0.0000 0.0000 34199.6168 -149447.5468 298.6738 -183647.1636 -149344.1209 298.5203 -209.8122 -177.8651 558387.4004 11.3479 11.2525 PRESSURE: 4327600 -319.222 54.9011 144.634 54.9007 -24.3631 105.103 144.632 105.104 -206.87 GPRESSURE: 4327600 -294.302 171.775 166.146 65.17 -7.4473 104.334 118.81 30.9849 -151.13 PRESSAVG: 4327600 35.0266 30.9335 -21.8062 30.9335 -50.5183 -19.5671 -21.8062 -19.567 1.098 GPRESSAVG: 4327600 33.2464 27.7356 -21.3427 32.7983 -49.69 -23.404 -20.5111 -19.0323 1.6277 TIMING: 4327600 CPU: 12574.8, 0.00288307/step Wall: 12574.8, 0.00288307/step, 0.538493 hours remaining, 206.714844 MB of memory in use. ENERGY: 4327600 758.8236 2154.7784 1976.7318 114.3223 -205876.9604 17393.6280 0.0000 0.0000 34259.6485 -149219.0278 299.1980 -183478.6763 -149121.8174 298.9283 -183.4850 -150.9597 557668.3627 -4.7979 -4.9386 PRESSURE: 4327800 -188.467 55.5216 41.5918 55.5212 -168.256 -33.898 41.5921 -33.8983 -76.3915 GPRESSURE: 4327800 -150.868 77.3356 -25.0063 88.4831 -122.344 -25.174 95.0014 -17.2284 -57.6223 PRESSAVG: 4327800 -30.8311 46.7509 -11.5088 46.751 -44.1341 -16.6885 -11.5089 -16.6884 42.3362 GPRESSAVG: 4327800 -28.7176 49.0346 -10.9908 44.8863 -44.8509 -16.5044 -10.6647 -14.8883 40.9286 TIMING: 4327800 CPU: 12575.4, 0.00288231/step Wall: 12575.4, 0.00288231/step, 0.53819 hours remaining, 206.714844 MB of memory in use. ENERGY: 4327800 775.9541 2072.5517 1957.9176 122.0704 -206000.8071 17688.9290 0.0000 0.0000 34234.8124 -149148.5718 298.9811 -183383.3842 -149057.7866 299.8797 -144.3716 -110.2781 557433.9129 -10.8763 -10.8800 PRESSURE: 4328000 81.0719 80.4702 63.9613 80.4704 -144.554 133.65 63.9612 133.652 157.113 GPRESSURE: 4328000 54.3518 66.7377 98.7431 96.645 -118.303 80.8447 -2.50128 94.0051 267.25 PRESSAVG: 4328000 -13.0353 -27.8245 -70.428 -27.8245 5.6146 -35.7389 -70.4282 -35.7389 31.6969 GPRESSAVG: 4328000 -13.6364 -28.8027 -71.6157 -26.5356 5.77499 -36.8633 -70.0856 -35.7197 32.487 TIMING: 4328000 CPU: 12576, 0.0028754/step Wall: 12576, 0.0028754/step, 0.536742 hours remaining, 206.714844 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: 4328000 718.8361 2085.5385 1981.3346 106.9750 -206414.2316 17783.2453 0.0000 0.0000 34479.5871 -149258.7149 301.1188 -183738.3020 -149157.5654 299.6456 31.2102 67.7664 556406.5011 8.0921 8.2085 PRESSURE: 4328200 235.971 115.186 55.2175 115.186 -26.9954 63.808 55.2188 63.8084 293.406 GPRESSURE: 4328200 255.17 66.7498 81.1891 112.514 29.2779 -6.0999 125.381 44.7229 320.312 PRESSAVG: 4328200 -41.5323 21.7779 -42.2195 21.7778 2.30308 26.238 -42.2195 26.238 45.1242 GPRESSAVG: 4328200 -42.0232 23.8455 -40.6145 22.2776 1.82913 27.7735 -43.244 24.2749 45.6335 TIMING: 4328200 CPU: 12576.5, 0.00287931/step Wall: 12576.5, 0.00287931/step, 0.537312 hours remaining, 206.714844 MB of memory in use. ENERGY: 4328200 716.0167 2122.1142 1950.0900 112.7955 -206304.7429 17899.5835 0.0000 0.0000 34299.4923 -149204.6506 299.5460 -183504.1429 -149111.4658 299.4633 167.4606 201.5864 557242.2782 1.9650 1.8132 LDB: ============= START OF LOAD BALANCING ============== 12580 LDB: ============== END OF LOAD BALANCING =============== 12580 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12580 LDB: ============= START OF LOAD BALANCING ============== 12580.3 LDB: Largest compute 4849 load 0.027357 is 23.2% of average load 0.117812 LDB: Average compute 0.001743 is 1.5% of average load 0.117812 LDB: TIME 12580.3 LOAD: AVG 0.117812 MAX 0.177242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 12580.3 LOAD: AVG 0.117812 MAX 0.177242 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 12580.3 LOAD: AVG 0.117812 MAX 0.177242 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12580.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12580.3 PRESSURE: 4328400 260.657 -99.1384 -104.966 -99.1384 -47.7312 89.7793 -104.967 89.7809 117.677 GPRESSURE: 4328400 286.214 -128.452 -77.3706 -72.108 33.7348 85.337 -76.6544 16.817 120.23 PRESSAVG: 4328400 47.6196 26.1868 -20.358 26.1868 -15.4151 20.7992 -20.3579 20.7992 3.44463 GPRESSAVG: 4328400 48.7502 25.7818 -22.3757 26.0717 -15.3865 20.208 -20.3315 19.6917 2.4367 TIMING: 4328400 CPU: 12577.1, 0.00293034/step Wall: 12577.1, 0.00293034/step, 0.546672 hours remaining, 208.898438 MB of memory in use. ENERGY: 4328400 718.4657 2087.2719 1944.8002 126.2745 -206097.2757 17784.0146 0.0000 0.0000 34104.9736 -149331.4752 297.8472 -183436.4488 -149245.6738 298.5798 110.2009 146.7262 556772.7237 11.8830 11.9335 PRESSURE: 4328600 292.99 70.1663 -6.4527 70.1663 84.3162 -80.8474 -6.45296 -80.8466 -126.649 GPRESSURE: 4328600 260.785 69.827 -5.85424 154.363 107.934 -66.8534 46.7937 -97.7313 -27.6387 PRESSAVG: 4328600 38.1499 34.5077 -18.8161 34.5078 -38.1743 -24.8542 -18.8161 -24.8543 -3.39655 GPRESSAVG: 4328600 37.5871 33.0395 -15.8341 35.31 -37.2362 -25.4128 -20.147 -21.9179 -3.84069 TIMING: 4328600 CPU: 12577.7, 0.00287679/step Wall: 12577.7, 0.00287679/step, 0.536521 hours remaining, 209.101562 MB of memory in use. ENERGY: 4328600 728.4375 2057.2823 1950.0499 112.8428 -206284.7538 17897.0394 0.0000 0.0000 34208.2067 -149330.8952 298.7488 -183539.1019 -149240.6362 298.9887 83.5524 113.6931 555857.3006 -1.1403 -1.1633 PRESSURE: 4328800 -114.01 125.601 63.7028 125.602 14.0781 -95.1506 63.7019 -95.1515 65.7876 GPRESSURE: 4328800 -125.509 48.2349 94.3089 201.084 34.1842 -44.5698 88.3907 -169.362 169.601 PRESSAVG: 4328800 -24.2034 20.0492 9.41039 20.0492 -35.8533 -21.5771 9.41033 -21.577 49.4121 GPRESSAVG: 4328800 -24.3644 19.0692 8.51289 20.439 -36.303 -21.0335 9.76995 -25.946 50.3598 TIMING: 4328800 CPU: 12578.3, 0.00288252/step Wall: 12578.3, 0.00288252/step, 0.53743 hours remaining, 209.101562 MB of memory in use. ENERGY: 4328800 733.7980 2105.4174 1962.0179 108.4569 -206194.1425 17953.4632 0.0000 0.0000 34003.4872 -149327.5019 296.9609 -183330.9891 -149235.3285 298.7830 -11.3815 26.0920 557548.5446 -3.5482 -3.4358 PRESSURE: 4329000 -125.875 38.9037 -34.612 38.9035 83.2437 -34.3381 -34.6129 -34.3382 130.646 GPRESSURE: 4329000 -100.164 -7.67852 5.76716 -36.632 164.071 -10.5816 -81.8133 -105.482 114.947 PRESSAVG: 4329000 -62.5846 21.6341 -10.7387 21.6341 8.16144 -48.1396 -10.7387 -48.1395 80.4478 GPRESSAVG: 4329000 -63.0355 22.4869 -9.11129 21.1406 8.7436 -49.2848 -12.3778 -45.0505 80.5798 TIMING: 4329000 CPU: 12578.9, 0.00289382/step Wall: 12578.9, 0.00289382/step, 0.539376 hours remaining, 209.101562 MB of memory in use. ENERGY: 4329000 745.4240 2108.7986 1932.5553 109.9130 -205981.7663 17863.8817 0.0000 0.0000 33940.0294 -149281.1643 296.4067 -183221.1938 -149189.6868 298.7210 29.3380 59.6181 556339.0054 8.6749 8.7626 PRESSURE: 4329200 -24.0354 55.2635 -5.02935 55.2635 -88.7219 0.473535 -5.0301 0.471734 43.7632 GPRESSURE: 4329200 -16.0577 10.0762 49.7058 39.2071 -36.433 39.6498 -7.82916 -19.8538 84.1658 PRESSAVG: 4329200 -24.636 50.7922 -6.19043 50.7921 29.406 -16.0445 -6.19049 -16.0446 -20.6726 GPRESSAVG: 4329200 -24.6953 50.902 -7.44502 51.8996 28.9199 -16.464 -4.03205 -16.4641 -20.446 TIMING: 4329200 CPU: 12579.4, 0.00287469/step Wall: 12579.4, 0.00287469/step, 0.535651 hours remaining, 209.101562 MB of memory in use. ENERGY: 4329200 714.6572 2164.6999 1942.5827 119.9324 -205855.1531 17607.9400 0.0000 0.0000 34121.9572 -149183.3838 297.9955 -183305.3409 -149092.2500 299.2343 -22.9980 10.5583 555898.6628 -5.3009 -5.4071 PRESSURE: 4329400 -57.8781 9.67588 63.4217 9.67576 53.1876 176.56 63.4234 176.561 -79.1018 GPRESSURE: 4329400 -76.5722 64.0636 66.6475 -48.7377 95.6693 229.058 105.566 119.313 -8.9807 PRESSAVG: 4329400 -23.4386 -5.84567 -64.7482 -5.84572 -19.5149 15.2719 -64.7481 15.2719 8.96658 GPRESSAVG: 4329400 -22.6061 -5.44245 -64.1107 -9.39447 -19.7617 16.0891 -67.5959 15.0002 7.90816 TIMING: 4329400 CPU: 12580, 0.00287327/step Wall: 12580, 0.00287327/step, 0.535227 hours remaining, 209.101562 MB of memory in use. ENERGY: 4329400 758.1172 2152.5574 1905.1180 109.7727 -206046.6961 17768.5841 0.0000 0.0000 34367.1696 -148985.3771 300.1370 -183352.5467 -148888.3046 299.8321 -27.9308 3.3721 557440.9673 -11.3290 -11.4865 PRESSURE: 4329600 -246.141 -83.6828 94.0682 -83.6818 -204.794 -14.1324 94.0687 -14.1342 -145.895 GPRESSURE: 4329600 -240.682 -161.085 47.531 -66.9688 -151.562 -65.0377 45.3388 -55.5806 -107.819 PRESSAVG: 4329600 -28.6924 27.7839 63.4295 27.7838 24.1393 -15.6723 63.4295 -15.6723 40.9585 GPRESSAVG: 4329600 -30.086 27.5962 61.8759 28.9296 24.3361 -14.443 64.134 -16.9136 41.7796 TIMING: 4329600 CPU: 12580.6, 0.00288694/step Wall: 12580.6, 0.00288694/step, 0.537612 hours remaining, 209.410156 MB of memory in use. ENERGY: 4329600 777.7521 2075.0933 1960.2579 120.0297 -205720.9148 17492.9631 0.0000 0.0000 34490.4816 -148804.3370 301.2140 -183294.8186 -148706.7000 300.4842 -198.9433 -166.6878 557671.4531 12.1351 12.0099 PRESSURE: 4329800 -6.30145 115.477 158.228 115.479 109.926 -38.1927 158.228 -38.1934 -87.4002 GPRESSURE: 4329800 44.9354 119.07 138.953 92.679 106.629 14.7715 166.368 -73.8105 -47.1954 PRESSAVG: 4329800 -5.2408 12.0655 16.1419 12.0656 -38.1941 -46.0781 16.1419 -46.0781 51.1047 GPRESSAVG: 4329800 -2.91649 11.8117 14.7504 13.2728 -38.2392 -47.3234 17.8437 -44.1219 49.0862 TIMING: 4329800 CPU: 12581.2, 0.00288299/step Wall: 12581.2, 0.00288299/step, 0.536717 hours remaining, 209.410156 MB of memory in use. ENERGY: 4329800 747.4150 2099.7922 1940.7220 128.9014 -206142.0489 17800.6073 0.0000 0.0000 34583.6723 -148840.9387 302.0278 -183424.6109 -148741.7725 301.0355 5.4082 34.7895 557396.5042 2.5566 2.6435 PRESSURE: 4330000 0.706655 -50.3943 169.943 -50.3948 34.75 -27.5296 169.942 -27.5303 72.43 GPRESSURE: 4330000 18.1118 39.4593 129.583 -35.5249 55.9628 -3.07173 158.666 -15.398 119.559 PRESSAVG: 4330000 11.826 48.9031 50.1357 48.9031 -22.2461 -17.5115 50.1358 -17.5115 16.0781 GPRESSAVG: 4330000 11.1333 50.4373 51.4603 46.8255 -21.7831 -16.9804 51.1464 -19.8213 16.2665 TIMING: 4330000 CPU: 12581.7, 0.00288784/step Wall: 12581.7, 0.00288784/step, 0.537458 hours remaining, 209.410156 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: 4330000 751.0693 2111.2609 1960.1705 119.4234 -206407.2493 18020.7244 0.0000 0.0000 34428.5905 -149016.0103 300.6734 -183444.6008 -148926.0285 299.6973 35.9622 64.5445 557859.1799 1.8860 1.8722 PRESSURE: 4330200 -80.4657 -44.8648 5.4343 -44.8636 -107.977 47.7279 5.4343 47.726 -284.984 GPRESSURE: 4330200 -95.6222 14.757 50.8815 -91.69 -62.1717 10.6007 -2.56981 90.3562 -220.424 PRESSAVG: 4330200 -32.5461 -10.1243 7.29388 -10.1244 -24.5891 -10.8452 7.2938 -10.8451 68.5856 GPRESSAVG: 4330200 -32.1193 -12.7613 8.71393 -7.79861 -25.5211 -12.5393 5.56918 -10.1045 69.4437 TIMING: 4330200 CPU: 12582.3, 0.00290402/step Wall: 12582.3, 0.00290402/step, 0.540308 hours remaining, 209.410156 MB of memory in use. ENERGY: 4330200 776.7268 2059.9984 1971.9601 124.3186 -205790.9702 17692.6164 0.0000 0.0000 34298.1175 -148867.2323 299.5340 -183165.3498 -148763.2898 299.4108 -157.8090 -126.0725 558306.8425 3.8168 3.9344 PRESSURE: 4330400 5.97995 -60.6547 -78.2866 -60.6546 -107.736 212.356 -78.2863 212.356 -321.541 GPRESSURE: 4330400 75.742 -48.4095 -61.7064 -37.5667 -98.8537 98.3569 -55.5237 254.464 -295.276 PRESSAVG: 4330400 11.1443 63.1724 -4.83513 63.1725 -81.9346 14.7238 -4.83509 14.7239 67.3138 GPRESSAVG: 4330400 9.93096 64.6196 -5.80998 61.3003 -81.3917 16.0734 -4.93516 15.3637 67.8631 TIMING: 4330400 CPU: 12582.9, 0.00288531/step Wall: 12582.9, 0.00288531/step, 0.536668 hours remaining, 209.410156 MB of memory in use. ENERGY: 4330400 756.1171 2075.4223 1922.8068 119.0515 -205833.5581 17641.9022 0.0000 0.0000 34297.1974 -149021.0607 299.5260 -183318.2581 -148920.5917 300.0694 -141.0993 -106.1293 558939.1580 -1.1588 -1.1992 PRESSURE: 4330600 -10.1908 11.6828 -33.5906 11.682 141.646 -82.6564 -33.5908 -82.6557 166.512 GPRESSURE: 4330600 27.7388 74.6503 -127.961 93.7968 181.959 -34.1559 -79.2372 -53.5084 196.567 PRESSAVG: 4330600 -4.76696 25.7818 -18.071 25.7818 -4.42921 22.9419 -18.071 22.9419 29.3808 GPRESSAVG: 4330600 -4.55899 24.7659 -19.7742 26.9984 -4.36924 21.9267 -16.7856 25.0088 29.1216 TIMING: 4330600 CPU: 12583.5, 0.0028756/step Wall: 12583.5, 0.0028756/step, 0.534702 hours remaining, 209.410156 MB of memory in use. ENERGY: 4330600 752.2624 2086.6706 1952.3934 114.3590 -206552.0396 18085.2966 0.0000 0.0000 34398.9187 -149162.1391 300.4143 -183561.0578 -149063.7812 299.5225 99.3224 135.4218 556575.7806 6.7282 6.7311 PRESSURE: 4330800 -38.8594 34.1552 -11.2899 34.1549 -220.311 -165.75 -11.2884 -165.75 -144.419 GPRESSURE: 4330800 -2.92323 29.5381 -155.973 79.6216 -185.734 -129.258 79.5311 -112.038 -115.982 PRESSAVG: 4330800 -52.6608 53.8696 23.8354 53.8696 -19.4323 -32.2313 23.8354 -32.2313 54.3385 GPRESSAVG: 4330800 -51.5245 55.2099 24.3012 52.2804 -19.5759 -31.4188 23.0985 -33.4348 53.9144 TIMING: 4330800 CPU: 12584, 0.00287289/step Wall: 12584, 0.00287289/step, 0.534038 hours remaining, 209.410156 MB of memory in use. ENERGY: 4330800 762.8771 2131.3086 1963.6042 122.0233 -206088.8992 17652.7585 0.0000 0.0000 34525.0592 -148931.2683 301.5159 -183456.3275 -148829.5664 300.4113 -134.5295 -101.5464 557805.0568 -5.9182 -5.7287 PRESSURE: 4331000 -469.5 -21.3598 7.55422 -21.3597 -276.153 246.589 7.55527 246.587 -143.554 GPRESSURE: 4331000 -450.686 14.1195 37.7944 -64.5123 -269.267 212.593 -44.5032 248.09 -64.1894 PRESSAVG: 4331000 -76.0494 -8.76144 19.4763 -8.7615 -19.1082 -61.0539 19.4764 -61.0539 58.3875 GPRESSAVG: 4331000 -76.3009 -9.98634 21.3519 -7.97519 -18.4439 -61.6044 16.5183 -62.8224 58.3242 TIMING: 4331000 CPU: 12584.6, 0.00287281/step Wall: 12584.6, 0.00287281/step, 0.533865 hours remaining, 209.410156 MB of memory in use. ENERGY: 4331000 795.0954 2137.8691 1960.6472 104.2943 -205634.6217 17386.7599 0.0000 0.0000 34113.0504 -149136.9053 297.9178 -183249.9558 -149036.2265 299.4392 -296.4024 -261.3807 557526.3439 -12.2567 -12.1402 PRESSURE: 4331200 190.289 141.5 -10.3703 141.498 161.661 149.12 -10.3708 149.121 -134.304 GPRESSURE: 4331200 243.791 43.0375 -2.17357 190.659 142.601 148.131 -88.3933 146.651 -74.439 PRESSAVG: 4331200 -56.0896 -18.5903 4.03418 -18.5903 -3.7491 -5.64613 4.03412 -5.64613 94.3035 GPRESSAVG: 4331200 -56.5325 -18.652 2.15391 -18.0761 -4.89515 -6.31948 6.62821 -4.71852 95.3562 TIMING: 4331200 CPU: 12585.2, 0.00286567/step Wall: 12585.2, 0.00286567/step, 0.532379 hours remaining, 209.410156 MB of memory in use. ENERGY: 4331200 717.7851 2033.8843 1966.2982 126.5692 -206114.6890 17865.0715 0.0000 0.0000 34413.5528 -148991.5279 300.5421 -183405.0807 -148901.7118 298.6840 72.5490 103.9845 556006.7427 11.4883 11.3095 PRESSURE: 4331400 -8.23089 -23.1483 19.906 -23.1472 -319.228 -29.9571 19.9051 -29.957 -120.578 GPRESSURE: 4331400 -31.6091 -22.8944 -17.7176 17.3511 -236.623 -4.10647 23.9728 -43.168 -65.3684 PRESSAVG: 4331400 -49.6277 62.0359 -21.0822 62.0359 33.127 63.4362 -21.0822 63.4363 12.5572 GPRESSAVG: 4331400 -50.1456 62.0332 -19.7672 60.6876 34.1079 63.6523 -21.2464 62.3433 11.5931 TIMING: 4331400 CPU: 12585.8, 0.00289167/step Wall: 12585.8, 0.00289166/step, 0.537046 hours remaining, 209.410156 MB of memory in use. ENERGY: 4331400 729.9375 2121.0157 1958.5142 111.1217 -205881.4470 17657.2926 0.0000 0.0000 34295.6655 -149007.8998 299.5126 -183303.5653 -148913.6661 300.1731 -149.3458 -111.2000 557264.6491 -1.3145 -1.4815 PRESSURE: 4331600 93.3719 61.5778 169.582 61.5767 -202.499 19.6927 169.582 19.6915 52.86 GPRESSURE: 4331600 92.9798 90.1662 150.796 109.228 -139.528 36.5402 128.093 45.6516 92.6244 PRESSAVG: 4331600 19.1332 21.0961 -36.0324 21.0961 -35.6881 -8.74585 -36.0324 -8.74573 20.1055 GPRESSAVG: 4331600 19.7032 20.8454 -35.5398 22.0276 -37.005 -9.18079 -36.2434 -7.58169 20.8762 TIMING: 4331600 CPU: 12586.3, 0.00286931/step Wall: 12586.3, 0.00286931/step, 0.532735 hours remaining, 209.410156 MB of memory in use. ENERGY: 4331600 748.9691 2143.9713 1953.1105 119.7569 -206278.6718 17742.1745 0.0000 0.0000 34608.4240 -148962.2655 302.2440 -183570.6895 -148875.2417 300.1536 -18.7558 15.3588 556703.3077 1.1835 1.1915 PRESSURE: 4331800 -110.957 29.9748 75.4071 29.9739 314.245 -32.2625 75.408 -32.2624 -156.219 GPRESSURE: 4331800 5.88774 -33.6805 27.9079 83.9604 275.829 -82.8995 77.9084 -29.0305 -132.023 PRESSAVG: 4331800 -4.12559 -6.79731 -42.4766 -6.7973 28.7102 48.0889 -42.4765 48.0889 -40.7526 GPRESSAVG: 4331800 -4.6719 -5.86476 -41.3679 -7.55861 29.4478 48.6596 -42.2206 48.18 -41.1196 TIMING: 4331800 CPU: 12586.9, 0.00286976/step Wall: 12586.9, 0.00286976/step, 0.532659 hours remaining, 209.410156 MB of memory in use. ENERGY: 4331800 772.5725 2106.4127 1967.9801 103.5384 -206500.6711 18007.5981 0.0000 0.0000 34351.0879 -149191.4813 299.9966 -183542.5692 -149103.1717 300.4783 15.6898 49.8980 558217.4713 -5.3893 -5.4479 PRESSURE: 4332000 -216.993 32.2638 30.7387 32.2632 85.3714 -263.895 30.7389 -263.896 -100.297 GPRESSURE: 4332000 -141.474 3.4087 71.0599 83.2664 96.139 -270.531 29.5667 -217.461 -97.8314 PRESSAVG: 4332000 -45.1052 61.119 -30.864 61.1188 -5.22874 38.49 -30.864 38.49 -0.680957 GPRESSAVG: 4332000 -45.6829 62.0321 -31.8638 61.2585 -4.73107 38.645 -33.3961 38.7489 -0.928019 TIMING: 4332000 CPU: 12587.5, 0.00289539/step Wall: 12587.5, 0.00289539/step, 0.537255 hours remaining, 209.410156 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: 4332000 761.3655 2123.6396 1944.9856 126.5512 -205794.1810 17613.7402 0.0000 0.0000 34143.9524 -149079.9465 298.1876 -183223.8989 -148977.6503 299.5581 -77.3064 -47.7223 558199.9484 -17.0050 -17.1140 PRESSURE: 4332200 121.411 -94.6002 -162.824 -94.6005 -253.509 -106.175 -162.823 -106.175 -101.982 GPRESSURE: 4332200 166.755 -122.869 -238.956 -150.649 -231.832 -140.559 -115.881 -114.341 -66.2206 PRESSAVG: 4332200 4.31333 -12.933 -12.496 -12.933 -23.4628 -9.10462 -12.4961 -9.10458 -31.0286 GPRESSAVG: 4332200 5.02427 -13.6247 -11.2359 -12.1371 -22.9969 -12.0883 -12.7847 -8.11356 -32.1968 TIMING: 4332200 CPU: 12588.1, 0.00289804/step Wall: 12588.1, 0.00289804/step, 0.537587 hours remaining, 209.410156 MB of memory in use. ENERGY: 4332200 736.6034 2110.3246 1963.4494 115.6577 -206054.2496 17843.1051 0.0000 0.0000 34186.7608 -149098.3486 298.5615 -183285.1094 -149002.6099 300.0241 -78.0266 -43.7660 557536.5874 -16.7260 -16.7231 LDB: ============= START OF LOAD BALANCING ============== 12591.5 LDB: ============== END OF LOAD BALANCING =============== 12591.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.5 LDB: ============= START OF LOAD BALANCING ============== 12591.8 LDB: Largest compute 4848 load 0.026846 is 22.8% of average load 0.117701 LDB: Average compute 0.001731 is 1.5% of average load 0.117701 LDB: TIME 12591.8 LOAD: AVG 0.117701 MAX 0.177751 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12591.8 LOAD: AVG 0.117701 MAX 0.177751 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 12591.8 LOAD: AVG 0.117701 MAX 0.177751 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: ============== END OF LOAD BALANCING =============== 12591.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.8 PRESSURE: 4332400 -397.177 34.9782 -193.356 34.9783 -151.725 8.64182 -193.356 8.64045 -378.215 GPRESSURE: 4332400 -372.164 48.6238 -221.065 109.75 -153.807 -54.4018 -164.819 -63.4474 -313.324 PRESSAVG: 4332400 11.0835 22.1439 -28.0692 22.1439 -10.1224 2.99386 -28.0692 2.99383 -15.5514 GPRESSAVG: 4332400 10.9391 21.1712 -30.7726 22.3894 -10.9825 5.72191 -25.9446 1.31509 -14.6753 TIMING: 4332400 CPU: 12588.7, 0.00295545/step Wall: 12588.7, 0.00295545/step, 0.548071 hours remaining, 207.046875 MB of memory in use. ENERGY: 4332400 764.0812 2099.7034 1960.3014 114.7908 -205813.8070 17318.3118 0.0000 0.0000 34323.3443 -149233.2740 299.7543 -183556.6183 -149141.4925 299.6672 -309.0387 -279.7652 557251.3088 -4.8634 -4.9062 PRESSURE: 4332600 -214.264 -8.8734 -44.8612 -8.87426 -27.8073 128.023 -44.862 128.025 -160.008 GPRESSURE: 4332600 -215.05 -26.2854 -89.3822 -47.4934 17.537 102.38 -18.4878 159.554 -125.519 PRESSAVG: 4332600 12.9546 -46.955 -54.3241 -46.955 -37.7111 7.33404 -54.324 7.33406 39.7059 GPRESSAVG: 4332600 13.3476 -47.5753 -53.3621 -49.292 -37.3566 7.76724 -54.4763 8.40371 38.6728 TIMING: 4332600 CPU: 12589.2, 0.00290569/step Wall: 12589.2, 0.00290569/step, 0.538683 hours remaining, 207.250000 MB of memory in use. ENERGY: 4332600 747.2803 2134.6356 1932.6444 113.7710 -205903.1414 17438.2365 0.0000 0.0000 34344.7804 -149191.7932 299.9415 -183536.5736 -149089.9473 299.3753 -134.0263 -107.6776 555052.7406 4.9831 4.8879 PRESSURE: 4332800 -151.981 -104.727 -162.132 -104.727 -22.0967 114.867 -162.132 114.865 45.1306 GPRESSURE: 4332800 -106.817 -37.5663 -92.978 -26.543 -25.4908 86.303 -134.669 144.001 94.8136 PRESSAVG: 4332800 -15.7177 -2.97521 -41.7009 -2.97518 19.9087 -1.8351 -41.7009 -1.83526 -10.5408 GPRESSAVG: 4332800 -18.4566 -1.70563 -43.9061 -1.99122 21.4774 -1.23912 -39.6909 -0.72415 -9.7194 TIMING: 4332800 CPU: 12589.8, 0.00288922/step Wall: 12589.8, 0.00288922/step, 0.535469 hours remaining, 207.250000 MB of memory in use. ENERGY: 4332800 761.6610 2059.7325 1977.8611 117.1044 -206018.1783 17762.8895 0.0000 0.0000 34168.7809 -149170.1489 298.4045 -183338.9298 -149076.9571 299.2118 -42.9822 -12.4981 556478.7699 -2.1166 -2.2329 PRESSURE: 4333000 51.3451 137.553 -110.12 137.553 -242.868 175.422 -110.12 175.423 114.509 GPRESSURE: 4333000 101.316 100.192 -10.789 98.0129 -223.776 234.623 -99.2803 151.063 130.09 PRESSAVG: 4333000 -43.8012 -37.7634 -22.6252 -37.7635 1.79378 49.3266 -22.6251 49.3266 20.0715 GPRESSAVG: 4333000 -42.2585 -38.6666 -18.387 -36.9569 0.609612 48.1459 -26.0896 48.6715 19.8701 TIMING: 4333000 CPU: 12590.4, 0.00287032/step Wall: 12590.4, 0.00287032/step, 0.531806 hours remaining, 207.250000 MB of memory in use. ENERGY: 4333000 752.5244 2063.9127 1954.3538 111.4705 -206415.1917 17978.5231 0.0000 0.0000 34190.1496 -149364.2576 298.5911 -183554.4072 -149269.1157 299.6204 -25.6712 2.5433 556967.1084 -7.3120 -7.2596 PRESSURE: 4333200 240.765 -83.0813 98.5737 -83.0822 -138.799 -19.4495 98.5738 -19.4495 0.892429 GPRESSURE: 4333200 228.894 -102.359 102.486 -61.0884 -36.2406 -16.8933 83.4094 -3.41796 14.4053 PRESSAVG: 4333200 -51.6893 -25.9406 -52.2844 -25.9405 7.99209 40.5196 -52.2844 40.5197 34.7463 GPRESSAVG: 4333200 -51.3564 -24.6745 -53.6485 -26.8218 7.98219 39.0071 -52.1122 40.7277 34.8367 TIMING: 4333200 CPU: 12591, 0.00287319/step Wall: 12591, 0.00287319/step, 0.532179 hours remaining, 207.250000 MB of memory in use. ENERGY: 4333200 730.4098 2157.1499 1982.8928 112.6989 -206460.4389 17955.8150 0.0000 0.0000 34201.2349 -149320.2376 298.6879 -183521.4725 -149226.6987 298.2672 34.2861 69.0197 556809.0160 -2.9836 -2.8459 PRESSURE: 4333400 1.21658 197.106 -68.5339 197.107 178.49 234.849 -68.5331 234.849 22.1683 GPRESSURE: 4333400 56.4286 184.246 -97.4977 185.971 172.369 262.349 -66.1555 231.037 65.7201 PRESSAVG: 4333400 35.2504 -51.0671 -25.6652 -51.0672 23.9614 28.5192 -25.6652 28.5193 -37.7909 GPRESSAVG: 4333400 35.5744 -52.4593 -26.0838 -49.1154 23.3973 29.1495 -23.8985 28.3796 -38.2666 TIMING: 4333400 CPU: 12591.5, 0.00288698/step Wall: 12591.5, 0.00288698/step, 0.534572 hours remaining, 207.453125 MB of memory in use. ENERGY: 4333400 751.6546 2093.9161 1926.3798 117.7390 -206473.4816 18047.9851 0.0000 0.0000 34252.0814 -149283.7257 299.1319 -183535.8070 -149180.6401 299.4246 67.2917 98.1726 557701.9846 7.1403 6.9017 PRESSURE: 4333600 -229.997 157.199 42.9186 157.198 -15.4681 154.312 42.918 154.313 -326.457 GPRESSURE: 4333600 -181.756 179.431 106.348 158.639 -37.7994 108.179 -30.0001 180.672 -261.188 PRESSAVG: 4333600 -23.5014 9.28895 43.2725 9.28906 -36.2928 19.5629 43.2724 19.5628 27.9434 GPRESSAVG: 4333600 -24.6578 9.80172 42.3222 6.17944 -36.6115 20.9467 44.9019 17.2708 29.7362 TIMING: 4333600 CPU: 12592.1, 0.00288777/step Wall: 12592.1, 0.00288777/step, 0.534558 hours remaining, 207.453125 MB of memory in use. ENERGY: 4333600 744.8317 2138.3586 1919.7510 121.2876 -205960.8957 17590.4856 0.0000 0.0000 34223.4194 -149222.7618 298.8816 -183446.1812 -149135.0470 299.3153 -190.6408 -160.2478 559305.9510 -10.6169 -10.5110 PRESSURE: 4333800 59.1573 68.7217 49.7484 68.7218 -214.934 55.346 49.7473 55.3485 261.654 GPRESSURE: 4333800 135.151 56.7163 47.3164 28.6161 -188.324 63.5362 50.905 -53.1676 252.175 PRESSAVG: 4333800 77.6256 33.6288 0.0422697 33.6289 -86.5424 -14.7612 0.0422007 -14.7612 29.3434 GPRESSAVG: 4333800 77.6277 32.9617 1.10598 35.867 -86.5705 -16.1127 -3.01519 -13.6064 29.0939 TIMING: 4333800 CPU: 12592.7, 0.00290033/step Wall: 12592.7, 0.00290033/step, 0.536723 hours remaining, 207.453125 MB of memory in use. ENERGY: 4333800 756.2032 2072.5768 1944.7521 123.7967 -206266.7577 17851.4828 0.0000 0.0000 34237.5489 -149280.3973 299.0050 -183517.9462 -149183.9600 299.7150 35.2924 66.3344 557586.6223 6.8088 6.7171 PRESSURE: 4334000 85.8585 316.166 -30.6946 316.166 -290.907 62.8236 -30.6949 62.8244 -191.123 GPRESSURE: 4334000 138.11 228.581 -34.774 258.2 -289.031 20.9892 -18.1851 77.358 -150.339 PRESSAVG: 4334000 31.6701 21.9934 -7.98014 21.9933 -43.5535 0.556013 -7.98023 0.556038 -9.26166 GPRESSAVG: 4334000 32.2796 22.3008 -8.26739 20.1636 -44.0173 1.81846 -6.52231 1.13872 -9.48393 TIMING: 4334000 CPU: 12593.3, 0.00289932/step Wall: 12593.3, 0.00289932/step, 0.536375 hours remaining, 207.453125 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: 4334000 760.6870 2072.4813 1925.6477 105.3893 -205943.6109 17606.3914 0.0000 0.0000 34399.4194 -149073.5948 300.4187 -183473.0142 -148973.9136 299.9554 -132.0571 -100.4200 558260.2866 -7.0484 -7.0739 PRESSURE: 4334200 -106.341 82.6838 42.0782 82.6843 139.669 -8.51788 42.0788 -8.51742 6.39818 GPRESSURE: 4334200 -40.0667 103.501 34.6222 136.174 101.809 22.9714 98.2744 -29.3363 79.1384 PRESSAVG: 4334200 99.3044 16.495 32.9562 16.4951 -81.1409 14.4787 32.9562 14.4786 14.8457 GPRESSAVG: 4334200 98.8622 18.4515 35.5996 17.9072 -81.8127 14.6688 31.1405 12.4142 15.9672 TIMING: 4334200 CPU: 12593.9, 0.00291858/step Wall: 12593.9, 0.00291858/step, 0.539775 hours remaining, 207.453125 MB of memory in use. ENERGY: 4334200 763.6122 2087.6101 1943.0991 123.3799 -206082.0674 17833.0607 0.0000 0.0000 34049.0497 -149282.2556 297.3588 -183331.3053 -149184.1121 299.2016 13.2420 46.9603 557593.8716 11.0031 11.0056 PRESSURE: 4334400 -340.769 -140.243 80.8926 -140.244 -322.453 -94.2842 80.8935 -94.2839 -277.741 GPRESSURE: 4334400 -327.317 -123.752 68.5552 -145.535 -218.44 -111.949 85.4272 -60.499 -300.793 PRESSAVG: 4334400 29.9995 -1.06567 -3.22246 -1.06547 -6.69615 -14.9593 -3.22252 -14.9595 -7.8305 GPRESSAVG: 4334400 30.3735 -4.13703 -5.4445 0.564946 -5.98892 -14.417 -2.24848 -12.6823 -9.00403 TIMING: 4334400 CPU: 12594.4, 0.00288761/step Wall: 12594.4, 0.00288761/step, 0.533887 hours remaining, 207.453125 MB of memory in use. ENERGY: 4334400 767.1955 2063.3423 1932.0311 113.4960 -205642.1294 17347.1010 0.0000 0.0000 34056.4760 -149362.4876 297.4237 -183418.9636 -149264.7096 298.3148 -313.6545 -282.1837 557710.9346 5.1576 5.1269 PRESSURE: 4334600 -151.591 0.526722 16.179 0.526271 -235.407 -71.6576 16.1797 -71.6573 -186.815 GPRESSURE: 4334600 -70.1986 27.246 23.4631 -18.7862 -199.927 -44.8455 -159.582 -132.592 -211.078 PRESSAVG: 4334600 19.0485 -24.9683 -39.9278 -24.9683 -17.4442 -98.5134 -39.9279 -98.5134 3.26823 GPRESSAVG: 4334600 18.9522 -23.4204 -39.3679 -26.3346 -17.2424 -98.404 -41.6702 -99.0271 2.88697 TIMING: 4334600 CPU: 12595, 0.00289183/step Wall: 12595, 0.00289183/step, 0.534507 hours remaining, 207.656250 MB of memory in use. ENERGY: 4334600 748.1810 2030.2616 1930.4547 111.3928 -205760.1606 17517.6267 0.0000 0.0000 34049.5823 -149372.6615 297.3635 -183422.2438 -149280.3873 298.5565 -191.2709 -160.4010 557532.3043 1.6242 1.5323 PRESSURE: 4334800 -165.962 106.361 -207.4 106.361 -27.0243 3.52053 -207.401 3.52017 -63.3311 GPRESSURE: 4334800 -147.318 88.8046 -212.873 64.7704 -14.7482 -40.0676 -169.496 -49.2653 0.362833 PRESSAVG: 4334800 -28.9587 -20.4277 -39.1699 -20.4276 -7.24595 -28.6357 -39.1698 -28.6356 17.775 GPRESSAVG: 4334800 -27.9994 -20.7013 -40.5256 -20.5953 -9.0828 -31.2034 -37.1106 -27.6112 18.938 TIMING: 4334800 CPU: 12595.6, 0.00289367/step Wall: 12595.6, 0.00289367/step, 0.534685 hours remaining, 207.656250 MB of memory in use. ENERGY: 4334800 741.0577 2146.0575 1945.7016 114.6330 -206394.0896 17791.3384 0.0000 0.0000 34225.1304 -149430.1710 298.8966 -183655.3014 -149335.1046 298.6831 -85.4391 -53.9010 557685.3509 -6.1432 -6.0481 PRESSURE: 4335000 -144.763 86.6403 -44.3732 86.6403 -189.212 -19.6225 -44.3736 -19.624 -394.84 GPRESSURE: 4335000 -122.436 31.39 -91.9008 99.206 -193.609 3.78411 6.00695 -61.3092 -313.581 PRESSAVG: 4335000 20.6438 28.1732 -24.465 28.1732 6.28065 12.5414 -24.4651 12.5415 23.7221 GPRESSAVG: 4335000 19.4084 27.782 -24.4561 28.7984 8.01787 15.7143 -25.0503 11.3287 23.2883 TIMING: 4335000 CPU: 12596.2, 0.00289035/step Wall: 12596.2, 0.00289035/step, 0.533912 hours remaining, 207.656250 MB of memory in use. ENERGY: 4335000 762.4157 2110.7095 1945.2450 117.8142 -205966.6358 17629.3824 0.0000 0.0000 34134.9363 -149266.1328 298.1089 -183401.0691 -149168.7477 298.6322 -242.9384 -209.8754 557628.9744 16.8822 16.9048 PRESSURE: 4335200 125.203 -21.0861 -102.197 -21.085 -187.813 -39.2059 -102.193 -39.2051 -129.479 GPRESSURE: 4335200 119.135 -44.3568 -75.8107 -17.7075 -137.537 -138.811 -71.0763 -24.3153 -72.9377 PRESSAVG: 4335200 17.9497 13.2945 -43.7188 13.2945 -27.6624 -4.78305 -43.7187 -4.78301 5.39876 GPRESSAVG: 4335200 17.2958 13.6713 -42.9699 13.0535 -27.853 -6.83599 -42.085 -3.98897 6.05519 TIMING: 4335200 CPU: 12596.8, 0.00289875/step Wall: 12596.8, 0.00289875/step, 0.535303 hours remaining, 207.656250 MB of memory in use. ENERGY: 4335200 767.4696 2124.8157 1948.1765 122.1058 -206508.5755 17974.8695 0.0000 0.0000 34209.6120 -149361.5264 298.7610 -183571.1384 -149267.7993 298.7986 -64.0295 -30.4466 558004.7363 -1.4380 -1.5007 PRESSURE: 4335400 -373.706 38.8763 -21.567 38.8771 -258.446 91.7041 -21.5671 91.7054 158.06 GPRESSURE: 4335400 -331.202 61.9562 11.5236 -9.64058 -223.985 13.4656 -65.7621 85.0088 177.016 PRESSAVG: 4335400 -68.1007 -6.48632 13.9414 -6.48644 -48.8622 -45.5238 13.9415 -45.5237 95.4457 GPRESSAVG: 4335400 -66.2855 -5.65807 15.3389 -5.69232 -48.1016 -44.4606 13.4146 -47.2242 93.2417 TIMING: 4335400 CPU: 12597.3, 0.00289227/step Wall: 12597.3, 0.00289227/step, 0.533946 hours remaining, 207.656250 MB of memory in use. ENERGY: 4335400 752.0223 2072.6781 1951.7167 108.6885 -206360.3742 17798.1571 0.0000 0.0000 34335.4342 -149341.6773 299.8599 -183677.1115 -149248.3140 298.4294 -158.0308 -126.0569 558228.8970 -7.1724 -7.0485 PRESSURE: 4335600 -99.0838 -63.3621 89.9601 -63.3636 33.4142 132.694 89.9608 132.694 -160.507 GPRESSURE: 4335600 -69.8928 -82.3776 22.7021 -55.2288 29.8793 189.215 117.108 84.391 -111.126 PRESSAVG: 4335600 -18.4125 11.671 -38.2267 11.671 25.2441 10.9068 -38.2268 10.9067 -0.94331 GPRESSAVG: 4335600 -18.9889 10.2435 -38.0547 11.7977 24.47 11.168 -39.7884 11.6853 0.103705 TIMING: 4335600 CPU: 12597.9, 0.00291703/step Wall: 12597.9, 0.00291703/step, 0.538355 hours remaining, 207.656250 MB of memory in use. ENERGY: 4335600 746.8194 2107.4219 1964.9824 118.4264 -206204.6291 17859.6383 0.0000 0.0000 34120.5002 -149286.8404 297.9828 -183407.3406 -149180.7507 299.4081 -75.3924 -50.3799 558755.2355 1.9628 1.8616 PRESSURE: 4335800 213.171 132.203 58.5273 132.205 242.212 -96.3442 58.5277 -96.3426 -7.03125 GPRESSURE: 4335800 229.137 65.6621 40.0951 229.016 262.374 -137.414 65.695 -46.4124 60.8295 PRESSAVG: 4335800 -13.4885 13.1713 -27.6033 13.1712 100.994 -10.0416 -27.6034 -10.0416 -38.5684 GPRESSAVG: 4335800 -13.7904 14.6184 -28.3005 10.9636 100.468 -11.2838 -28.3171 -9.14392 -37.7438 TIMING: 4335800 CPU: 12598.5, 0.00290455/step Wall: 12598.5, 0.00290455/step, 0.53589 hours remaining, 207.656250 MB of memory in use. ENERGY: 4335800 733.1055 2088.4244 1958.0768 99.3478 -206500.7145 18069.9892 0.0000 0.0000 34294.2540 -149257.5167 299.5003 -183551.7708 -149158.7378 298.7047 149.4506 184.1135 555981.3213 16.3123 16.3112 PRESSURE: 4336000 -106.697 79.1173 3.52413 79.1171 -191.12 90.2974 3.52468 90.2971 147.015 GPRESSURE: 4336000 -52.0017 99.4075 -54.562 87.2756 -164.331 27.9147 31.5228 35.2953 173.148 PRESSAVG: 4336000 16.4769 19.078 36.2598 19.078 -10.0076 20.6678 36.2598 20.6678 -59.0747 GPRESSAVG: 4336000 15.6535 18.3197 35.2925 19.6332 -10.215 19.9239 36.6327 21.3305 -58.652 TIMING: 4336000 CPU: 12599.1, 0.00288777/step Wall: 12599.1, 0.00288777/step, 0.532633 hours remaining, 207.656250 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: 4336000 765.1987 2068.1162 1950.3442 118.2161 -206073.0935 17724.1906 0.0000 0.0000 34131.5349 -149315.4927 298.0792 -183447.0277 -149226.5764 299.5852 -50.2674 -14.3948 557590.5238 -17.5352 -17.7378 PRESSURE: 4336200 245.002 112.44 -1.41155 112.439 189.897 -145.934 -1.41171 -145.933 -37.4038 GPRESSURE: 4336200 254.208 72.2289 -94.1113 98.8034 223.87 -165.391 110.402 -90.2471 16.8001 PRESSAVG: 4336200 75.8306 27.448 14.2325 27.448 -50.727 13.2173 14.2326 13.2174 18.0844 GPRESSAVG: 4336200 75.6025 26.9606 13.3803 28.9893 -49.4837 16.0042 17.2827 9.21442 17.3218 TIMING: 4336200 CPU: 12599.7, 0.00289625/step Wall: 12599.7, 0.00289625/step, 0.534037 hours remaining, 207.656250 MB of memory in use. ENERGY: 4336200 718.1939 2076.6062 1942.5502 102.8757 -206563.2746 18102.3261 0.0000 0.0000 34296.0945 -149324.6280 299.5163 -183620.7225 -149227.5816 299.1889 132.4983 164.9592 556811.1591 14.3960 14.4802 LDB: ============= START OF LOAD BALANCING ============== 12603.1 LDB: ============== END OF LOAD BALANCING =============== 12603.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603.1 LDB: ============= START OF LOAD BALANCING ============== 12603.4 LDB: Largest compute 4848 load 0.027421 is 23.3% of average load 0.117729 LDB: Average compute 0.001742 is 1.5% of average load 0.117729 LDB: TIME 12603.4 LOAD: AVG 0.117729 MAX 0.177869 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.898 MB LDB: TIME 12603.4 LOAD: AVG 0.117729 MAX 0.177869 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: TIME 12603.4 LOAD: AVG 0.117729 MAX 0.177869 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12603.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12603.4 PRESSURE: 4336400 -335.041 33.3062 143.403 33.3054 -157.371 238.401 143.403 238.403 60.1719 GPRESSURE: 4336400 -231.601 -10.2904 97.6167 87.0309 -172.677 215.725 176.491 165.148 75.7894 PRESSAVG: 4336400 0.571473 -7.23103 26.7176 -7.23106 -26.4941 -10.1903 26.7174 -10.1904 40.5633 GPRESSAVG: 4336400 2.41129 -4.81115 27.3043 -8.78278 -27.9336 -9.64544 22.9454 -8.17805 40.1378 TIMING: 4336400 CPU: 12600.3, 0.00294927/step Wall: 12600.3, 0.00294927/step, 0.543649 hours remaining, 207.355469 MB of memory in use. ENERGY: 4336400 757.1274 2007.0328 1982.0402 108.0120 -206362.2291 17692.9477 0.0000 0.0000 34343.1642 -149471.9049 299.9274 -183815.0691 -149377.2878 298.9549 -144.0800 -109.4962 556814.1616 4.8802 4.8718 PRESSURE: 4336600 -310.078 116.581 32.9566 116.582 -286.497 -25.4355 32.9573 -25.435 -30.2991 GPRESSURE: 4336600 -272.134 25.5694 11.1201 123.471 -190.146 -24.7008 3.63705 7.70257 -76.0984 PRESSAVG: 4336600 -31.5348 -64.8777 -1.27513 -64.8778 -5.58118 28.6412 -1.27511 28.6412 39.943 GPRESSAVG: 4336600 -33.0853 -65.8382 0.0422682 -65.3294 -4.85853 28.0875 -1.28747 29.7719 40.7994 TIMING: 4336600 CPU: 12600.8, 0.00290393/step Wall: 12600.8, 0.00290393/step, 0.535129 hours remaining, 207.558594 MB of memory in use. ENERGY: 4336600 726.0736 2069.7627 1934.3482 113.9940 -206114.8521 17567.5600 0.0000 0.0000 34088.1704 -149614.9431 297.7005 -183703.1136 -149517.4914 297.9341 -208.9582 -179.4597 558469.3316 0.9423 0.9519 PRESSURE: 4336800 -392.772 7.20201 102.102 7.2002 -224.096 12.3467 102.101 12.3464 169.365 GPRESSURE: 4336800 -335.248 29.6547 95.5764 -62.4019 -243.424 49.3958 6.40313 -79.3691 207.632 PRESSAVG: 4336800 -8.47268 -15.3093 -50.9315 -15.3092 -58.3278 33.4696 -50.9315 33.4697 14.2503 GPRESSAVG: 4336800 -8.23718 -14.7337 -50.283 -14.0052 -58.4812 33.7071 -49.3299 32.224 14.4544 TIMING: 4336800 CPU: 12601.4, 0.0029033/step Wall: 12601.4, 0.0029033/step, 0.534853 hours remaining, 207.558594 MB of memory in use. ENERGY: 4336800 722.4741 2122.1693 1964.2894 122.6306 -206755.9325 17778.2145 0.0000 0.0000 34373.9541 -149672.2005 300.1963 -184046.1546 -149574.6757 297.8710 -149.1676 -123.6798 559321.1943 -17.5167 -17.4213 PRESSURE: 4337000 -21.8025 -32.7898 127.826 -32.7906 33.5505 -143.828 127.825 -143.826 108.591 GPRESSURE: 4337000 -36.4634 -10.5946 165.322 -18.7875 59.2903 -199.429 125.676 -149.242 188.909 PRESSAVG: 4337000 -22.5168 6.7148 68.6304 6.71487 2.62631 49.5391 68.6304 49.539 40.5769 GPRESSAVG: 4337000 -21.9909 7.33957 66.7851 4.49844 2.6286 49.304 68.716 50.4528 40.7337 TIMING: 4337000 CPU: 12602, 0.00291486/step Wall: 12602, 0.00291486/step, 0.536819 hours remaining, 207.558594 MB of memory in use. ENERGY: 4337000 762.1589 2044.8252 1945.4299 124.2366 -206581.6431 17923.9906 0.0000 0.0000 34070.3534 -149710.6485 297.5449 -183781.0019 -149609.5029 298.1453 40.1129 70.5786 556763.0362 6.8955 7.1238 PRESSURE: 4337200 -218.251 -71.6838 -50.0848 -71.6849 -182.956 -1.58453 -50.0847 -1.58431 43.7058 GPRESSURE: 4337200 -177.286 -98.0922 -162.039 -63.8182 -137.416 -74.2655 -1.20147 -24.9954 46.1588 PRESSAVG: 4337200 -28.1523 -16.0969 -1.89653 -16.0969 20.8985 3.40254 -1.89649 3.40263 44.829 GPRESSAVG: 4337200 -28.7946 -16.9117 -1.54759 -14.7371 20.7706 2.69046 -3.37332 3.50603 45.372 TIMING: 4337200 CPU: 12602.6, 0.00290798/step Wall: 12602.6, 0.00290798/step, 0.535392 hours remaining, 207.558594 MB of memory in use. ENERGY: 4337200 726.0206 2048.5542 1944.8323 119.6681 -206184.1136 17693.2083 0.0000 0.0000 34069.3424 -149582.4877 297.5360 -183651.8300 -149485.6752 297.5657 -119.1670 -89.5146 558569.4092 12.5251 12.4493 PRESSURE: 4337400 -361.551 -148.697 -61.603 -148.698 -421.968 -13.4102 -61.603 -13.4102 -163.702 GPRESSURE: 4337400 -272.462 -226.304 -52.2785 -117.176 -402.182 -4.66476 -56.8312 -18.1756 -167.882 PRESSAVG: 4337400 47.8685 -43.1086 -38.2504 -43.1087 -32.1488 14.1054 -38.2503 14.1054 15.1357 GPRESSAVG: 4337400 48.6697 -44.5377 -36.9929 -42.1989 -31.7838 14.995 -36.8656 13.9991 13.9052 TIMING: 4337400 CPU: 12603.2, 0.00292034/step Wall: 12603.2, 0.00292034/step, 0.537504 hours remaining, 207.558594 MB of memory in use. ENERGY: 4337400 765.8555 2077.4908 1946.0715 126.8616 -206151.2855 17539.1387 0.0000 0.0000 34180.4554 -149515.4120 298.5064 -183695.8674 -149424.7144 298.6888 -315.7404 -280.8419 558993.6143 10.2852 10.2637 PRESSURE: 4337600 -92.6046 -54.8123 51.0865 -54.8134 -23.7894 -27.8314 51.0857 -27.8318 -65.2287 GPRESSURE: 4337600 -52.522 -92.6094 11.5534 14.285 17.6137 10.0633 2.95017 -56.5337 -57.4834 PRESSAVG: 4337600 24.4518 -19.115 -21.0051 -19.1149 -32.2922 -16.6408 -21.0051 -16.6409 -33.1122 GPRESSAVG: 4337600 23.6414 -18.796 -20.4638 -18.2197 -31.6412 -17.141 -22.5754 -17.0097 -33.2436 TIMING: 4337600 CPU: 12603.7, 0.00289791/step Wall: 12603.7, 0.00289791/step, 0.533215 hours remaining, 207.558594 MB of memory in use. ENERGY: 4337600 763.6921 2090.1770 1969.7659 117.6046 -206562.0172 17891.4869 0.0000 0.0000 34262.0429 -149467.2478 299.2189 -183729.2907 -149372.8764 298.6867 -60.5409 -30.7972 559303.5457 -13.6509 -13.7478 PRESSURE: 4337800 79.89 252.076 -94.4779 252.076 186.815 9.39941 -94.4774 9.39954 110.563 GPRESSURE: 4337800 150.841 281.725 -139.01 190.989 209.424 57.7897 -27.4721 -17.868 110.181 PRESSAVG: 4337800 -35.5364 -19.1614 -49.8041 -19.1614 53.8677 -20.6937 -49.804 -20.6935 -23.6711 GPRESSAVG: 4337800 -35.6783 -19.8983 -50.3786 -19.2566 52.9297 -22.1201 -48.6064 -19.3954 -22.1009 TIMING: 4337800 CPU: 12604.3, 0.00291786/step Wall: 12604.3, 0.00291786/step, 0.536725 hours remaining, 207.558594 MB of memory in use. ENERGY: 4337800 725.6510 2125.9771 1969.8417 109.0349 -206821.9998 18108.5242 0.0000 0.0000 34319.7917 -149463.1791 299.7233 -183782.9708 -149369.9900 299.0284 125.7561 156.8150 556821.0707 -1.7799 -1.6165 PRESSURE: 4338000 -140.354 -218.66 -152.005 -218.66 -216.274 26.5382 -152.004 26.5366 -146.499 GPRESSURE: 4338000 -153.915 -182.433 -115.965 -231.977 -161.659 35.5149 -154.34 76.1171 -84.7048 PRESSAVG: 4338000 -10.2211 -2.51713 -1.31609 -2.5171 35.2445 -11.4756 -1.31607 -11.4756 -39.1412 GPRESSAVG: 4338000 -9.61111 0.118789 -1.75078 -3.60858 35.3057 -10.7895 -0.863286 -10.9492 -39.6354 TIMING: 4338000 CPU: 12604.9, 0.00289845/step Wall: 12604.9, 0.00289845/step, 0.532993 hours remaining, 207.558594 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: 4338000 742.0329 2148.9535 1963.4883 110.1780 -206400.2944 17726.2230 0.0000 0.0000 34229.7506 -149479.6681 298.9369 -183709.4187 -149388.3527 298.2881 -167.7088 -133.4263 558006.7411 -4.7059 -4.6469 PRESSURE: 4338200 40.7957 -117.802 -98.7886 -117.802 69.1487 82.7786 -98.7884 82.7783 82.3708 GPRESSURE: 4338200 51.3956 -157.26 -42.2888 -114.617 56.4691 92.3875 -78.721 35.4055 183.738 PRESSAVG: 4338200 -36.6854 -34.8155 -20.8396 -34.8155 3.78319 -46.9261 -20.8396 -46.926 12.4443 GPRESSAVG: 4338200 -37.3106 -36.538 -20.2745 -33.0921 4.05572 -44.7932 -20.978 -49.0151 12.9138 TIMING: 4338200 CPU: 12605.5, 0.00288403/step Wall: 12605.5, 0.00288403/step, 0.530181 hours remaining, 207.558594 MB of memory in use. ENERGY: 4338200 765.9463 2096.0123 1945.9114 112.1149 -206443.5492 17934.7615 0.0000 0.0000 34070.4181 -149518.3845 297.5454 -183588.8026 -149421.7955 298.1340 64.1050 97.2010 557405.7248 -6.8193 -6.7804 PRESSURE: 4338400 -167.816 11.9764 157.063 11.9782 -222.01 -118.623 157.063 -118.624 -72.0469 GPRESSURE: 4338400 -155.313 59.3194 175.624 -75.0514 -200.893 -23.7733 80.0498 -247.359 -19.4868 PRESSAVG: 4338400 -4.25351 -14.9083 49.5973 -14.9084 1.77047 21.2772 49.5973 21.2772 22.0395 GPRESSAVG: 4338400 -4.2703 -15.1029 49.1187 -16.1936 1.30682 20.6511 48.4596 21.138 22.4918 TIMING: 4338400 CPU: 12606.1, 0.00290172/step Wall: 12606.1, 0.00290172/step, 0.533271 hours remaining, 207.558594 MB of memory in use. ENERGY: 4338400 753.8838 2099.7274 1983.4599 107.1396 -205993.6199 17583.5050 0.0000 0.0000 34015.5852 -149450.3191 297.0666 -183465.9043 -149363.5897 298.2052 -153.9577 -125.2312 557264.2604 6.5188 6.5094 PRESSURE: 4338600 -205.826 -16.3358 -60.7791 -16.3355 -66.1258 -187.482 -60.7787 -187.482 -132.784 GPRESSURE: 4338600 -148.857 -5.88094 -2.82441 -25.1396 -71.6442 -116.062 -98.9177 -133.484 -81.705 PRESSAVG: 4338600 16.5106 -0.567806 66.6053 -0.567798 -39.099 -7.55504 66.6053 -7.55515 36.0041 GPRESSAVG: 4338600 17.0963 1.70053 67.721 0.112511 -39.1495 -10.1751 67.2898 -4.59007 35.5945 TIMING: 4338600 CPU: 12606.6, 0.00287621/step Wall: 12606.6, 0.00287621/step, 0.528423 hours remaining, 207.558594 MB of memory in use. ENERGY: 4338600 724.6746 2065.5752 1962.4205 103.1337 -205859.9266 17531.7832 0.0000 0.0000 34057.8296 -149414.5098 297.4355 -183472.3394 -149324.8898 298.2372 -134.9121 -100.7353 556325.0551 4.4719 4.5138 PRESSURE: 4338800 421.227 132.496 -106.717 132.497 262.581 -103.126 -106.717 -103.126 70.7214 GPRESSURE: 4338800 471.898 74.7264 -28.934 89.2672 276.844 -37.4254 -148.626 -88.4758 111.241 PRESSAVG: 4338800 -10.2783 -18.8458 6.5905 -18.8458 20.7569 -47.4612 6.59049 -47.4614 -8.62723 GPRESSAVG: 4338800 -10.1185 -18.786 4.66845 -21.8658 21.3831 -45.104 7.56338 -49.933 -9.01208 TIMING: 4338800 CPU: 12607.2, 0.00289125/step Wall: 12607.2, 0.00289125/step, 0.531026 hours remaining, 207.558594 MB of memory in use. ENERGY: 4338800 717.2305 2088.4196 1943.9567 115.2102 -206345.8672 18002.4552 0.0000 0.0000 34235.3842 -149243.2108 298.9861 -183478.5950 -149148.9978 298.0335 251.5098 286.6610 555936.4081 0.6171 0.7508 PRESSURE: 4339000 -49.554 114.851 -84.6242 114.852 -142.034 42.3978 -84.6229 42.3965 -327.775 GPRESSURE: 4339000 9.65489 142.198 -15.5228 153.128 -135.267 8.70115 -74.649 84.4621 -302.01 PRESSAVG: 4339000 74.4401 11.8625 -57.7682 11.8625 -29.5425 -43.5273 -57.7683 -43.5274 -34.4818 GPRESSAVG: 4339000 75.2416 11.7447 -57.1393 13.8824 -30.2835 -44.729 -58.4245 -41.7099 -34.6439 TIMING: 4339000 CPU: 12607.8, 0.00289203/step Wall: 12607.8, 0.00289203/step, 0.53101 hours remaining, 207.558594 MB of memory in use. ENERGY: 4339000 770.4194 2070.4392 1976.7699 106.9258 -206235.4559 17736.3143 0.0000 0.0000 34049.0351 -149525.5522 297.3587 -183574.5873 -149431.9513 298.8887 -173.1211 -142.5406 557452.6913 3.4719 3.4381 PRESSURE: 4339200 102.777 111.895 122.453 111.895 -115.122 61.4734 122.452 61.4715 24.0817 GPRESSURE: 4339200 133.835 180.719 80.9424 98.9462 -124.662 -13.5102 173.506 43.7411 99.0241 PRESSAVG: 4339200 35.9311 -7.40323 -18.124 -7.40325 -0.467987 9.34777 -18.1239 9.34788 -20.0399 GPRESSAVG: 4339200 34.9668 -9.97756 -19.3774 -5.8486 0.123248 8.41093 -16.4795 8.12972 -19.497 TIMING: 4339200 CPU: 12608.4, 0.00289961/step Wall: 12608.4, 0.00289961/step, 0.53224 hours remaining, 207.558594 MB of memory in use. ENERGY: 4339200 737.7297 2042.6937 1933.2276 116.8677 -206348.5047 17929.0596 0.0000 0.0000 34047.8320 -149541.0944 297.3482 -183588.9264 -149446.9655 298.2129 3.9121 36.0659 556991.3212 5.1411 5.1977 PRESSURE: 4339400 4.55906 102.954 35.7263 102.954 35.9422 51.4927 35.7262 51.4919 -55.5813 GPRESSURE: 4339400 42.9104 91.3914 12.4165 37.8104 25.7231 64.3562 50.519 -12.3688 16.7774 PRESSAVG: 4339400 -21.6646 -59.19 31.3785 -59.1899 39.5426 11.9419 31.3786 11.9418 1.27534 GPRESSAVG: 4339400 -21.0057 -58.2595 30.9298 -59.1945 38.5524 11.0341 30.4179 12.8001 2.01873 TIMING: 4339400 CPU: 12609, 0.00290129/step Wall: 12609, 0.00290129/step, 0.532386 hours remaining, 207.718750 MB of memory in use. ENERGY: 4339400 721.7562 2057.6600 1967.7366 115.8118 -206195.9034 17786.9760 0.0000 0.0000 34098.4170 -149447.5459 297.7900 -183545.9629 -149347.2862 298.3925 -5.0267 28.4703 557082.9623 6.3844 6.5218 PRESSURE: 4339600 -20.8353 -53.6929 -7.27709 -53.6937 68.6651 32.2717 -7.27717 32.2738 -94.4573 GPRESSURE: 4339600 -8.53365 -121.525 -15.3253 -57.8047 141.389 38.701 22.2337 -70.5362 -77.6207 PRESSAVG: 4339600 -2.08785 -24.0321 -23.7357 -24.032 34.6627 -29.0858 -23.7358 -29.0859 -36.9264 GPRESSAVG: 4339600 -3.42076 -23.8682 -22.8517 -23.2914 35.8867 -24.6729 -23.4233 -30.5202 -36.5335 TIMING: 4339600 CPU: 12609.5, 0.00290758/step Wall: 12609.5, 0.00290758/step, 0.533379 hours remaining, 207.718750 MB of memory in use. ENERGY: 4339600 776.3007 2146.4985 1959.3721 100.1233 -206313.0069 17880.9441 0.0000 0.0000 34127.6196 -149322.1488 298.0450 -183449.7684 -149229.1405 298.6259 -15.5425 18.4117 558085.7125 -1.4505 -1.3558 PRESSURE: 4339800 -75.9087 148.473 20.113 148.473 146.508 33.0259 20.1127 33.0247 -155.553 GPRESSURE: 4339800 -62.0353 119.048 -78.9231 145.371 175.859 -32.5093 -16.8627 111.115 -100.902 PRESSAVG: 4339800 -26.8145 -14.4493 -20.0579 -14.4493 82.3775 9.31297 -20.0579 9.31304 -44.6738 GPRESSAVG: 4339800 -25.3624 -14.9933 -21.493 -14.3757 80.645 6.31307 -22.302 10.5659 -44.9482 TIMING: 4339800 CPU: 12610.1, 0.00287917/step Wall: 12610.1, 0.00287917/step, 0.528008 hours remaining, 207.718750 MB of memory in use. ENERGY: 4339800 768.8966 2106.7032 1975.9655 103.1738 -206573.9488 18029.4403 0.0000 0.0000 34339.0764 -149250.6931 299.8917 -183589.7694 -149153.0592 299.4520 -28.3178 4.3072 557666.9657 3.6297 3.4448 PRESSURE: 4340000 -126.239 40.335 146.441 40.3345 -343.289 55.5522 146.441 55.5533 -95.5895 GPRESSURE: 4340000 -76.8824 59.7683 129.746 75.4656 -313.885 5.02512 107.478 37.6288 -76.112 PRESSAVG: 4340000 -15.6793 47.359 21.9733 47.359 46.7586 -3.88389 21.9733 -3.88377 -11.3317 GPRESSAVG: 4340000 -15.9289 46.8044 23.5324 47.6134 46.5879 -3.21678 22.0624 -2.77877 -11.1157 TIMING: 4340000 CPU: 12610.7, 0.00289016/step Wall: 12610.7, 0.00289016/step, 0.529862 hours remaining, 207.960938 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: 4340000 748.8982 2095.6234 1974.5015 118.4539 -206105.2914 17568.1771 0.0000 0.0000 34292.4303 -149307.2069 299.4843 -183599.6372 -149203.9859 299.4533 -188.3726 -155.6266 557435.6205 6.5825 6.5144 PRESSURE: 4340200 56.3772 -70.5944 -20.8243 -70.5933 -114.975 11.4595 -20.8244 11.4577 -341.882 GPRESSURE: 4340200 90.8166 -82.0623 -74.416 19.1298 -79.5086 -47.1182 61.7965 65.047 -302.725 PRESSAVG: 4340200 15.5134 -13.7149 -1.37654 -13.7149 28.2688 10.075 -1.37656 10.0751 -62.2027 GPRESSAVG: 4340200 15.3673 -13.0057 -0.735588 -13.0206 28.476 10.2106 -2.42062 10.4001 -62.2912 TIMING: 4340200 CPU: 12611.3, 0.00287841/step Wall: 12611.3, 0.00287841/step, 0.527548 hours remaining, 207.960938 MB of memory in use. ENERGY: 4340200 742.5279 2152.9511 1980.7624 108.4928 -206007.9782 17538.4535 0.0000 0.0000 34232.6456 -149252.1449 298.9622 -183484.7905 -149159.3233 298.7008 -133.4934 -97.1391 558195.9726 -6.1401 -6.1493 LDB: ============= START OF LOAD BALANCING ============== 12614.7 LDB: ============== END OF LOAD BALANCING =============== 12614.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12614.7 LDB: ============= START OF LOAD BALANCING ============== 12615 LDB: Largest compute 4848 load 0.025984 is 22.1% of average load 0.117839 LDB: Average compute 0.001738 is 1.5% of average load 0.117839 LDB: TIME 12615 LOAD: AVG 0.117839 MAX 0.179021 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 12615 LOAD: AVG 0.117839 MAX 0.179021 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 12615 LOAD: AVG 0.117839 MAX 0.179021 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: ============== END OF LOAD BALANCING =============== 12615 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12615 PRESSURE: 4340400 -170.952 -51.0434 237.561 -51.0451 -268.628 -102.109 237.561 -102.109 -116.378 GPRESSURE: 4340400 -98.0869 -76.7319 181.035 -26.9745 -153.304 -42.1026 230.957 -141.362 -193.383 PRESSAVG: 4340400 -10.5964 36.4327 60.9303 36.4327 24.7546 -12.7862 60.9303 -12.7861 -22.776 GPRESSAVG: 4340400 -11.6347 38.0054 59.1683 35.3707 25.947 -14.0142 60.2613 -11.6247 -22.7827 TIMING: 4340400 CPU: 12611.9, 0.00295032/step Wall: 12611.9, 0.00295032/step, 0.540564 hours remaining, 206.476562 MB of memory in use. ENERGY: 4340400 764.6612 2210.1037 1945.3162 118.2837 -206361.2614 17624.7352 0.0000 0.0000 34385.3898 -149312.7717 300.2962 -183698.1614 -149217.6732 299.0163 -185.3192 -148.2580 558048.5616 -2.8726 -2.8235 PRESSURE: 4340600 -100.911 38.982 36.2534 38.9828 56.0867 -3.30934 36.2548 -3.30961 -140.695 GPRESSURE: 4340600 -157.057 52.0799 -48.2719 -42.0088 118.512 93.1463 55.2675 -18.4384 -46.765 PRESSAVG: 4340600 -54.611 24.4304 55.3008 24.4304 54.717 17.8717 55.3007 17.8717 -23.0702 GPRESSAVG: 4340600 -53.1303 23.0477 57.4607 23.1024 53.5353 19.2875 55.2557 17.6292 -23.7398 TIMING: 4340600 CPU: 12612.4, 0.00288042/step Wall: 12612.4, 0.00288042/step, 0.527597 hours remaining, 206.476562 MB of memory in use. ENERGY: 4340600 757.8227 2160.9575 1945.2666 114.0097 -206195.3335 17716.5599 0.0000 0.0000 34196.0067 -149304.7104 298.6422 -183500.7171 -149217.3602 299.6170 -61.8397 -28.4364 558270.9409 -7.6547 -7.7783 PRESSURE: 4340800 227.835 -19.4673 87.5306 -19.4674 105.705 117.554 87.5307 117.553 34.9526 GPRESSURE: 4340800 220.777 -58.2104 32.7331 42.4416 182.436 42.032 160.983 126.383 67.3428 PRESSAVG: 4340800 28.8154 18.7852 -36.1518 18.7853 -24.7795 65.633 -36.1518 65.633 -10.0783 GPRESSAVG: 4340800 29.3728 18.8817 -37.5072 20.4645 -24.2421 64.6351 -33.2667 64.6496 -11.0056 TIMING: 4340800 CPU: 12613, 0.00291513/step Wall: 12613, 0.00291513/step, 0.533793 hours remaining, 206.476562 MB of memory in use. ENERGY: 4340800 754.9552 2205.4002 1963.1950 120.5135 -206867.6087 18106.6781 0.0000 0.0000 34281.3807 -149435.4859 299.3878 -183716.8667 -149339.4095 299.6350 122.8310 156.8520 556457.9112 -2.0141 -1.9583 PRESSURE: 4341000 -65.7186 -33.0648 176.589 -33.0642 -25.226 237.272 176.588 237.273 84.8671 GPRESSURE: 4341000 -34.8352 -29.8958 291.121 3.0788 9.07764 312.009 194.451 250.323 119.338 PRESSAVG: 4341000 80.2371 -29.5131 22.8061 -29.5131 -45.5831 51.0717 22.8061 51.0717 -37.6382 GPRESSAVG: 4341000 78.6993 -28.7094 22.7599 -31.1302 -45.7435 52.1855 22.6042 50.4064 -35.174 TIMING: 4341000 CPU: 12613.6, 0.00292058/step Wall: 12613.6, 0.00292058/step, 0.534629 hours remaining, 206.476562 MB of memory in use. ENERGY: 4341000 750.2319 2132.6288 1945.7987 120.5018 -206765.8833 17964.8528 0.0000 0.0000 34427.8148 -149424.0546 300.6667 -183851.8693 -149329.4909 299.4745 -2.0259 31.1935 557042.7949 -0.9947 -0.7394 PRESSURE: 4341200 -11.1144 83.3369 68.4351 83.3383 31.1816 133.182 68.434 133.182 61.4962 GPRESSURE: 4341200 -3.29556 89.027 5.44985 27.0422 37.8462 54.7691 72.9292 76.0004 138.121 PRESSAVG: 4341200 76.3614 33.874 26.3178 33.8741 -7.04083 8.36461 26.3178 8.36457 17.7288 GPRESSAVG: 4341200 78.2572 33.414 26.1497 34.2714 -7.61726 8.58729 25.7771 10.2408 15.6176 TIMING: 4341200 CPU: 12614.2, 0.00289239/step Wall: 12614.2, 0.00289239/step, 0.529307 hours remaining, 206.476562 MB of memory in use. ENERGY: 4341200 760.1123 2109.5327 1957.1685 96.8894 -206766.8603 18021.7468 0.0000 0.0000 34191.3317 -149630.0790 298.6014 -183821.4107 -149538.1951 299.0061 27.1878 57.5571 557437.1621 29.0165 28.7525 PRESSURE: 4341400 -411.913 -15.9677 -36.9857 -15.9662 -192.566 -24.5955 -36.9856 -24.5965 -428.234 GPRESSURE: 4341400 -397.91 -122.886 -48.1522 15.0677 -145.323 -16.0902 -7.55073 -107.465 -400.376 PRESSAVG: 4341400 16.4217 25.6684 -40.1592 25.6685 34.9896 -0.983604 -40.1592 -0.983624 -2.4729 GPRESSAVG: 4341400 16.3117 26.8248 -40.5999 25.7651 34.4892 -1.44342 -40.3541 -2.53411 -2.06354 TIMING: 4341400 CPU: 12614.8, 0.00288201/step Wall: 12614.8, 0.00288201/step, 0.527247 hours remaining, 206.679688 MB of memory in use. ENERGY: 4341400 784.3610 2137.1479 1996.9541 107.7279 -206037.5899 17381.0738 0.0000 0.0000 33990.2586 -149640.0665 296.8454 -183630.3251 -149541.9205 298.3751 -344.2378 -314.5363 560009.5862 16.3128 16.2458 PRESSURE: 4341600 77.47 -180.636 17.4164 -180.638 -225.139 4.83304 17.4169 4.83352 32.6903 GPRESSURE: 4341600 79.2663 -170.747 -62.7383 -230.672 -197.049 13.6812 93.1655 5.34758 93.9453 PRESSAVG: 4341600 -36.3547 -13.8 -3.13082 -13.8001 1.16069 2.57142 -3.13086 2.57143 27.9818 GPRESSAVG: 4341600 -37.8258 -16.0766 -0.800388 -11.7833 2.09208 3.22503 -4.73331 2.6893 28.1374 TIMING: 4341600 CPU: 12615.3, 0.00288321/step Wall: 12615.3, 0.00288321/step, 0.527308 hours remaining, 206.679688 MB of memory in use. ENERGY: 4341600 766.5500 2124.8875 1975.1305 106.0128 -206552.4932 17871.3870 0.0000 0.0000 34220.9638 -149487.5617 298.8602 -183708.5255 -149397.1344 298.3421 -38.3261 -7.9457 558270.5397 -2.4041 -2.5321 PRESSURE: 4341800 -64.0902 65.6999 81.5911 65.7002 -97.6475 101.753 81.5901 101.754 189.282 GPRESSURE: 4341800 -11.5626 121.374 42.8243 -19.0664 -43.7292 115.23 116.806 73.4114 177.181 PRESSAVG: 4341800 10.3965 -4.00699 15.858 -4.00693 -69.4319 38.9057 15.8579 38.9058 54.2469 GPRESSAVG: 4341800 10.5944 -2.43033 14.0375 -5.37835 -68.8942 39.0994 16.0219 38.0654 53.2982 TIMING: 4341800 CPU: 12615.9, 0.00289438/step Wall: 12615.9, 0.00289438/step, 0.529189 hours remaining, 206.679688 MB of memory in use. ENERGY: 4341800 774.0617 2095.7540 1942.0069 108.7067 -206576.0755 18008.7406 0.0000 0.0000 34162.4783 -149484.3274 298.3494 -183646.8057 -149385.4186 298.5440 9.1816 40.6299 556757.2961 -1.5962 -1.6672 PRESSURE: 4342000 -28.4962 5.44631 33.6534 5.44755 99.1477 -32.8189 33.6534 -32.819 -188.872 GPRESSURE: 4342000 -63.2279 -65.4898 15.4254 36.5738 146.421 -110.556 -29.7796 -22.4943 -101.351 PRESSAVG: 4342000 40.7666 -29.9133 47.9075 -29.9133 31.4326 -30.2206 47.9076 -30.2206 -61.1056 GPRESSAVG: 4342000 40.2253 -30.1785 49.7774 -28.3012 30.5111 -31.4417 47.2142 -27.7825 -59.6067 TIMING: 4342000 CPU: 12616.5, 0.00288071/step Wall: 12616.5, 0.00288071/step, 0.52653 hours remaining, 206.679688 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: 4342000 760.8726 2070.3612 1990.6283 124.7755 -206331.9306 17724.8836 0.0000 0.0000 34233.8158 -149426.5935 298.9724 -183660.4093 -149323.1375 298.4607 -39.4069 -6.0524 555994.8049 3.6979 3.7099 PRESSURE: 4342200 -155.449 16.9087 117.048 16.9075 87.9812 22.5424 117.048 22.5414 -12.3932 GPRESSURE: 4342200 -122.563 67.5911 89.699 8.31746 137.733 10.9705 132.016 36.2687 -4.48097 PRESSAVG: 4342200 -37.3196 37.7363 19.258 37.7363 12.3992 -13.6585 19.2581 -13.6587 61.1505 GPRESSAVG: 4342200 -37.7707 38.3063 14.6935 36.3925 13.3997 -13.5227 24.3191 -15.1988 60.3791 TIMING: 4342200 CPU: 12617.1, 0.00287913/step Wall: 12617.1, 0.00287913/step, 0.52608 hours remaining, 206.679688 MB of memory in use. ENERGY: 4342200 780.2006 2081.2348 1969.9645 109.6561 -206488.7481 17815.4930 0.0000 0.0000 34290.7535 -149441.4455 299.4697 -183732.1990 -149343.3709 299.0679 -26.6204 3.5630 556946.8333 12.0767 12.0027 PRESSURE: 4342400 132.88 -123.196 -47.7662 -123.198 256.079 -240.037 -47.7659 -240.037 -3.63681 GPRESSURE: 4342400 127.997 -137.043 -28.6947 -231.378 312.963 -228.393 -34.9866 -229.176 34.0131 PRESSAVG: 4342400 -53.9343 12.7546 24.1577 12.7546 20.8773 -79.9721 24.1577 -79.9721 18.0732 GPRESSAVG: 4342400 -52.6741 11.3321 26.8644 14.4258 19.8269 -79.6771 19.212 -76.693 17.0561 TIMING: 4342400 CPU: 12617.6, 0.00289227/step Wall: 12617.6, 0.00289227/step, 0.528321 hours remaining, 206.679688 MB of memory in use. ENERGY: 4342400 725.5508 2113.0647 1932.7126 93.4735 -206646.3978 18001.1393 0.0000 0.0000 34427.8274 -149352.6296 300.6668 -183780.4570 -149259.7131 299.1972 128.4406 158.3243 556183.9527 -4.9946 -5.2637 PRESSURE: 4342600 -11.1562 -188.945 -183.875 -188.947 -11.5696 -42.8706 -183.874 -42.8712 -278.694 GPRESSURE: 4342600 67.1884 -175.797 -141.846 -237.513 13.9004 -93.0829 -245.638 21.2467 -285.666 PRESSAVG: 4342600 6.15503 7.82419 17.6386 7.82413 31.2918 -46.9985 17.6386 -46.9985 -69.6852 GPRESSAVG: 4342600 6.37821 8.56853 18.1712 6.87665 31.635 -46.7583 18.3245 -49.0973 -70.2356 TIMING: 4342600 CPU: 12618.2, 0.00289546/step Wall: 12618.2, 0.00289546/step, 0.528742 hours remaining, 206.679688 MB of memory in use. ENERGY: 4342600 738.3528 2134.8934 1975.1090 112.7622 -206156.2230 17745.2150 0.0000 0.0000 34137.3973 -149312.4934 298.1304 -183449.8907 -149223.1976 299.4905 -100.4733 -68.1923 556727.9582 -10.7461 -10.7408 PRESSURE: 4342800 -151.584 76.0714 -181.839 76.073 27.9337 -116.619 -181.837 -116.62 -77.6576 GPRESSURE: 4342800 -161.364 27.9637 -112.65 82.475 81.8356 -84.205 -197.521 -69.8658 -19.7805 PRESSAVG: 4342800 61.2928 25.2109 -55.7814 25.211 -7.58703 -47.3989 -55.7813 -47.3989 -73.806 GPRESSAVG: 4342800 60.3057 25.5792 -56.2335 26.0096 -7.88307 -46.7799 -54.8674 -46.9915 -72.5087 TIMING: 4342800 CPU: 12618.8, 0.0028866/step Wall: 12618.8, 0.0028866/step, 0.526966 hours remaining, 206.679688 MB of memory in use. ENERGY: 4342800 774.4834 2103.2272 1954.1436 116.3987 -206273.0183 17684.9962 0.0000 0.0000 34309.6119 -149330.1574 299.6344 -183639.7693 -149231.9793 298.5406 -67.1028 -33.1029 556749.1424 -6.7001 -6.6954 PRESSURE: 4343000 -72.2985 112.742 -103.069 112.742 -133.873 -104.386 -103.068 -104.385 -160.074 GPRESSURE: 4343000 -65.0081 77.9362 -4.48584 68.3843 -76.4713 -109.156 -186.731 -113.306 -132.694 PRESSAVG: 4343000 -15.5663 -17.8547 -51.202 -17.8547 32.8897 -33.382 -51.202 -33.3819 -14.64 GPRESSAVG: 4343000 -15.4644 -15.3238 -51.4653 -19.6852 33.2863 -33.3521 -50.2211 -34.7497 -14.828 TIMING: 4343000 CPU: 12619.4, 0.00290224/step Wall: 12619.4, 0.00290224/step, 0.529659 hours remaining, 206.679688 MB of memory in use. ENERGY: 4343000 748.5284 2096.5392 1963.7904 117.4384 -206102.3411 17698.2204 0.0000 0.0000 34166.5250 -149311.2994 298.3848 -183477.8244 -149214.5171 299.4156 -122.0819 -91.3911 558097.4106 0.8945 0.9980 PRESSURE: 4343200 63.8529 59.9512 53.9009 59.951 -51.592 -152.516 53.9005 -152.517 -111.675 GPRESSURE: 4343200 105.846 47.0372 -16.6577 47.3817 -88.1841 -90.112 123.226 -164.316 -18.7031 PRESSAVG: 4343200 34.7623 40.5546 -11.6421 40.5547 10.9418 4.07387 -11.6422 4.07381 -63.9557 GPRESSAVG: 4343200 35.4382 39.7951 -12.7132 40.2703 11.4105 4.01239 -12.3103 4.62554 -65.0097 TIMING: 4343200 CPU: 12620, 0.00290354/step Wall: 12620, 0.00290354/step, 0.529735 hours remaining, 206.789062 MB of memory in use. ENERGY: 4343200 768.9475 2075.7417 1944.5550 107.1554 -206085.0646 17708.7056 0.0000 0.0000 34176.0354 -149303.9240 298.4678 -183479.9594 -149208.2337 298.1640 -33.1379 -0.3471 556808.4839 -6.0839 -6.0537 PRESSURE: 4343400 30.0628 -44.0466 -11.8338 -44.0477 286.301 56.0238 -11.8333 56.0256 86.4653 GPRESSURE: 4343400 107.247 -28.1934 -28.4909 -66.4457 291.617 99.1117 39.1157 14.8401 99.8124 PRESSAVG: 4343400 14.15 22.0943 20.1598 22.0942 23.1336 16.5674 20.1598 16.5674 -39.9657 GPRESSAVG: 4343400 13.6966 19.7122 21.9961 24.1374 22.3438 18.2522 19.2489 16.041 -38.4379 TIMING: 4343400 CPU: 12620.5, 0.00290057/step Wall: 12620.5, 0.00290057/step, 0.529031 hours remaining, 206.789062 MB of memory in use. ENERGY: 4343400 748.9867 2065.7437 1963.8335 125.9996 -206131.8153 17861.1932 0.0000 0.0000 34296.3764 -149069.6823 299.5188 -183366.0587 -148972.5337 298.9782 134.2764 166.2257 556213.1132 -0.8940 -0.7992 PRESSURE: 4343600 265.677 -92.7002 -86.0222 -92.6985 -21.5649 63.0629 -86.0227 63.0631 273.085 GPRESSURE: 4343600 303.043 -40.7473 -49.4819 -79.6485 26.1293 85.904 -107.167 -30.3223 282.906 PRESSAVG: 4343600 43.3255 -2.4039 -3.44438 -2.40384 -39.96 24.8207 -3.4444 24.8209 20.0148 GPRESSAVG: 4343600 43.6021 -1.01274 -4.13666 -2.07202 -38.0003 24.6137 -1.48497 24.8804 18.4819 TIMING: 4343600 CPU: 12621.1, 0.00288217/step Wall: 12621.1, 0.00288217/step, 0.525516 hours remaining, 206.789062 MB of memory in use. ENERGY: 4343600 704.8992 2090.0606 1964.3045 119.6452 -206426.5324 18023.6080 0.0000 0.0000 34455.0001 -149069.0148 300.9041 -183524.0149 -148973.6189 300.1233 172.3989 204.0261 556430.5662 7.7934 8.0279 PRESSURE: 4343800 -98.2089 96.8417 -72.7892 96.8405 -94.0158 97.7448 -72.7899 97.7447 -52.4828 GPRESSURE: 4343800 -45.7799 23.1575 -95.8252 25.1882 -86.0548 68.1001 -70.3741 71.822 -18.2174 PRESSAVG: 4343800 24.9881 21.5182 15.2945 21.5183 -51.0738 42.6625 15.2944 42.6625 27.2155 GPRESSAVG: 4343800 24.7891 21.8879 16.2374 20.956 -51.162 40.8014 14.03 43.9811 27.6036 TIMING: 4343800 CPU: 12621.7, 0.00289926/step Wall: 12621.7, 0.00289926/step, 0.528471 hours remaining, 206.789062 MB of memory in use. ENERGY: 4343800 702.3063 2108.4533 1951.0428 116.1144 -205511.8094 17353.8530 0.0000 0.0000 34092.0980 -149187.9417 297.7348 -183280.0397 -149093.2660 299.2058 -81.5692 -50.0174 557231.9908 0.3766 0.4102 PRESSURE: 4344000 -80.9163 -132.58 152.554 -132.579 -303.281 -102.485 152.554 -102.484 -312.373 GPRESSURE: 4344000 -47.3111 -119.02 204.813 -152.366 -305.39 -177.244 141.505 -123.01 -247.861 PRESSAVG: 4344000 11.3796 -3.52737 6.3682 -3.52734 -12.0772 -27.4209 6.36816 -27.4208 -2.0072 GPRESSAVG: 4344000 9.54159 -4.02233 5.6513 -5.08133 -11.505 -25.5325 7.36309 -28.6783 -0.695604 TIMING: 4344000 CPU: 12622.3, 0.00290702/step Wall: 12622.3, 0.00290702/step, 0.529723 hours remaining, 206.789062 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: 4344000 755.4280 2063.7592 1961.4714 118.4839 -205636.1804 17475.5752 0.0000 0.0000 34204.0793 -149057.3834 298.7127 -183261.4627 -148952.9013 298.9432 -232.1901 -200.1876 557906.4334 -0.9016 -0.8863 PRESSURE: 4344200 28.0106 117.918 71.7854 117.918 -278.152 57.1801 71.7837 57.1825 -115.924 GPRESSURE: 4344200 78.8831 55.7603 22.0074 160.491 -260.728 156.968 14.9533 68.9099 -77.6042 PRESSAVG: 4344200 -14.4092 -11.1625 47.3995 -11.1625 82.5568 19.3617 47.3995 19.3618 -47.0682 GPRESSAVG: 4344200 -13.2748 -12.8363 46.8294 -11.393 81.7555 19.0446 46.1214 19.8258 -47.0738 TIMING: 4344200 CPU: 12622.8, 0.00287079/step Wall: 12622.8, 0.00287079/step, 0.522962 hours remaining, 206.789062 MB of memory in use. ENERGY: 4344200 767.0810 2107.9786 1959.1142 118.7315 -205820.9452 17579.7799 0.0000 0.0000 34257.2912 -149030.9688 299.1774 -183288.2600 -148935.1389 299.3184 -122.0216 -86.4832 556809.5892 7.0264 7.1356 LDB: ============= START OF LOAD BALANCING ============== 12626.3 LDB: ============== END OF LOAD BALANCING =============== 12626.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.3 LDB: ============= START OF LOAD BALANCING ============== 12626.6 LDB: Largest compute 4848 load 0.025872 is 22.0% of average load 0.117721 LDB: Average compute 0.001737 is 1.5% of average load 0.117721 LDB: TIME 12626.6 LOAD: AVG 0.117721 MAX 0.17796 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12626.6 LOAD: AVG 0.117721 MAX 0.17796 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 12626.6 LOAD: AVG 0.117721 MAX 0.17796 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12626.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12626.6 PRESSURE: 4344400 136.279 -33.9144 -39.4499 -33.9149 -108.8 116.519 -39.4502 116.519 -270.863 GPRESSURE: 4344400 150.626 -106.682 -32.8952 59.1078 -63.9944 217.851 -77.0231 136.305 -228.829 PRESSAVG: 4344400 -10.8571 -34.6919 -19.2835 -34.6918 5.97431 28.5107 -19.2836 28.5108 -11.3165 GPRESSAVG: 4344400 -10.5457 -33.9746 -17.4433 -32.4943 6.0226 28.07 -17.711 29.5383 -11.5761 TIMING: 4344400 CPU: 12623.4, 0.00294097/step Wall: 12623.4, 0.00294097/step, 0.535583 hours remaining, 207.414062 MB of memory in use. ENERGY: 4344400 760.7602 2068.4039 1968.0639 113.3730 -205560.0278 17762.7649 0.0000 0.0000 34078.7901 -148807.8717 297.6185 -182886.6618 -148707.2315 299.5581 -81.1279 -47.3994 559031.7348 -5.3998 -5.3664 PRESSURE: 4344600 214.2 -112.537 -103.766 -112.539 14.1555 103.817 -103.765 103.816 -38.9216 GPRESSURE: 4344600 229.182 -88.2347 -56.4098 7.54004 108.174 52.882 -125.486 78.7877 -64.7583 PRESSAVG: 4344600 5.87376 38.8819 -60.7531 38.8819 57.9149 7.35732 -60.7531 7.35734 -34.3305 GPRESSAVG: 4344600 5.98367 40.4167 -60.8945 38.0473 58.2735 6.43287 -60.8628 6.9759 -34.7409 TIMING: 4344600 CPU: 12624, 0.00289571/step Wall: 12624, 0.00289571/step, 0.527181 hours remaining, 207.484375 MB of memory in use. ENERGY: 4344600 745.7127 2148.6719 1972.9733 119.6112 -206081.0892 17818.0676 0.0000 0.0000 34383.2534 -148892.7992 300.2775 -183276.0526 -148797.8674 300.2539 63.1445 90.8661 558493.5051 9.8194 9.8388 PRESSURE: 4344800 171.342 158.23 -70.9597 158.23 171.595 -169.706 -70.9607 -169.706 280.392 GPRESSURE: 4344800 223.862 259.265 20.1619 91.9833 255.969 -109.024 -148.268 -263.332 238.352 PRESSAVG: 4344800 2.96367 55.4937 -26.752 55.4938 -9.86511 -50.2047 -26.7519 -50.2048 34.0733 GPRESSAVG: 4344800 2.7081 55.5253 -26.6406 56.6038 -10.1185 -48.02 -28.2092 -51.7095 34.9984 TIMING: 4344800 CPU: 12624.6, 0.002887/step Wall: 12624.6, 0.002887/step, 0.525434 hours remaining, 207.484375 MB of memory in use. ENERGY: 4344800 728.7018 2102.3774 1954.2905 110.8177 -206210.3069 17929.9686 0.0000 0.0000 34492.8936 -148891.2573 301.2350 -183384.1509 -148797.7070 299.8307 207.7763 239.3942 557697.6808 9.0573 9.1960 PRESSURE: 4345000 -97.6625 16.1681 -168.261 16.1684 143.627 -57.1894 -168.259 -57.1903 101.585 GPRESSURE: 4345000 -24.7749 25.3718 -283.205 -96.0677 153.064 -51.8953 -88.2648 -96.5596 116.132 PRESSAVG: 4345000 26.4753 -13.391 -32.326 -13.391 37.7894 -0.248736 -32.3259 -0.248771 -44.7747 GPRESSAVG: 4345000 25.8923 -14.2097 -32.3267 -14.5908 37.9528 -1.12801 -31.7052 0.115729 -44.6036 TIMING: 4345000 CPU: 12625.2, 0.00290222/step Wall: 12625.2, 0.00290222/step, 0.528044 hours remaining, 207.484375 MB of memory in use. ENERGY: 4345000 759.2360 2091.6180 1970.9092 119.4640 -206072.4186 17845.3063 0.0000 0.0000 34436.3622 -148849.5229 300.7413 -183285.8851 -148759.3635 300.1448 49.1832 81.4738 557344.6055 6.4967 6.4138 PRESSURE: 4345200 126.058 -28.4935 184.23 -28.4945 -173.476 111.263 184.229 111.262 -131.728 GPRESSURE: 4345200 116.678 -28.9268 142.865 -4.73263 -105.196 67.7646 205.317 154.937 -100.363 PRESSAVG: 4345200 44.5571 -21.5569 -54.6538 -21.5571 14.1447 -8.89781 -54.6538 -8.89789 -8.56538 GPRESSAVG: 4345200 44.8914 -22.1737 -56.9077 -22.4394 13.6234 -10.0688 -53.8071 -8.09966 -8.44567 TIMING: 4345200 CPU: 12625.8, 0.00288234/step Wall: 12625.8, 0.00288234/step, 0.524265 hours remaining, 207.484375 MB of memory in use. ENERGY: 4345200 731.5204 2114.1132 1978.8118 109.9156 -205888.5298 17752.2011 0.0000 0.0000 34472.9914 -148728.9762 301.0612 -183201.9677 -148635.2940 301.0026 -59.7152 -29.6270 558866.5650 16.7121 16.6897 PRESSURE: 4345400 65.2478 -68.9739 -67.9717 -68.9733 210.717 -42.8565 -67.9712 -42.8561 151.204 GPRESSURE: 4345400 93.4598 -31.3109 -53.5315 -127.394 289.828 -92.7874 -69.8647 72.386 136.145 PRESSAVG: 4345400 68.3739 28.8782 30.902 28.8781 -41.4239 -24.5971 30.902 -24.5971 -7.63511 GPRESSAVG: 4345400 67.5758 27.8938 33.447 29.7889 -40.463 -26.5002 30.3834 -22.2031 -7.54984 TIMING: 4345400 CPU: 12626.3, 0.00288213/step Wall: 12626.3, 0.00288213/step, 0.524068 hours remaining, 207.484375 MB of memory in use. ENERGY: 4345400 763.7461 2121.4555 1927.9994 121.1432 -206182.6936 17942.5321 0.0000 0.0000 34449.8077 -148856.0096 300.8587 -183305.8173 -148765.7961 300.8630 142.3896 173.1442 558023.6816 6.4383 6.5210 PRESSURE: 4345600 76.5859 -76.1364 109.011 -76.1372 -183.073 -59.373 109.011 -59.373 -188.551 GPRESSURE: 4345600 29.8898 -74.9654 -10.174 -74.1727 -90.5767 -56.2945 165.654 -62.7984 -145.913 PRESSAVG: 4345600 57.4738 -23.5883 -1.98012 -23.5884 9.55885 1.98992 -1.98021 1.98992 -37.6981 GPRESSAVG: 4345600 57.8899 -19.7996 -2.55519 -26.8641 7.83019 4.67769 -1.50694 -1.06709 -36.9285 TIMING: 4345600 CPU: 12626.9, 0.00288464/step Wall: 12626.9, 0.00288464/step, 0.524363 hours remaining, 207.484375 MB of memory in use. ENERGY: 4345600 753.6707 2064.3149 1954.2186 109.1886 -205652.1020 17715.8064 0.0000 0.0000 34302.9130 -148751.9896 299.5759 -183054.9026 -148655.1687 300.9427 -98.3461 -68.8666 559046.5405 9.7782 9.5972 PRESSURE: 4345800 2.14784 28.5893 103.871 28.59 -368.232 99.6486 103.871 99.648 -289.143 GPRESSURE: 4345800 -0.333839 76.5372 99.987 -4.76963 -311.507 132.039 53.7113 60.8005 -250.305 PRESSAVG: 4345800 69.2246 56.0981 18.1536 56.0981 -64.8075 8.07985 18.1535 8.07982 -17.5516 GPRESSAVG: 4345800 69.6966 54.7983 18.8827 58.4287 -64.5245 4.17655 17.3379 10.7611 -18.4969 TIMING: 4345800 CPU: 12627.5, 0.00289435/step Wall: 12627.5, 0.00289435/step, 0.525967 hours remaining, 207.484375 MB of memory in use. ENERGY: 4345800 762.4391 2037.6010 1953.4701 114.0534 -205591.4740 17469.7250 0.0000 0.0000 34306.5116 -148947.6739 299.6073 -183254.1855 -148847.8903 300.0660 -218.4089 -187.3818 558050.1636 -4.3782 -4.4416 PRESSURE: 4346000 38.7525 -169.024 174.626 -169.025 -119.951 -109.205 174.625 -109.205 173.403 GPRESSURE: 4346000 20.9084 -78.3977 196.975 -124.45 -67.3654 -116.975 178.107 -48.2041 238.681 PRESSAVG: 4346000 -4.39705 26.0612 1.58916 26.0612 42.4634 13.564 1.58915 13.564 -2.18525 GPRESSAVG: 4346000 -4.73006 24.9849 2.3611 26.6031 42.9812 18.1944 2.25453 11.0453 -2.68267 TIMING: 4346000 CPU: 12628.1, 0.00289086/step Wall: 12628.1, 0.00289086/step, 0.525172 hours remaining, 207.484375 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: 4346000 721.0216 2059.2195 1960.1609 101.2985 -205847.9302 17645.5270 0.0000 0.0000 34298.2143 -149062.4884 299.5348 -183360.7027 -148959.4454 299.5104 30.7349 64.0747 557488.6664 11.9604 11.8562 PRESSURE: 4346200 -405.602 130.236 -190.515 130.238 70.847 132.777 -190.515 132.779 73.037 GPRESSURE: 4346200 -313.5 45.2945 -186.397 170.047 36.0294 -20.814 -143.572 79.1653 109.919 PRESSAVG: 4346200 29.0495 44.3822 36.4343 44.3821 -15.1608 50.9707 36.4342 50.9706 -10.7146 GPRESSAVG: 4346200 28.757 44.4091 35.5013 42.8446 -14.798 47.6181 36.094 53.4074 -10.9616 TIMING: 4346200 CPU: 12628.6, 0.00289141/step Wall: 12628.6, 0.00289141/step, 0.525113 hours remaining, 207.484375 MB of memory in use. ENERGY: 4346200 735.5670 2172.0547 1947.5987 105.0297 -206221.6427 17619.1386 0.0000 0.0000 34626.6515 -149015.6026 302.4032 -183642.2541 -148923.1199 300.4063 -87.2395 -55.8507 556050.8558 1.0580 0.9992 PRESSURE: 4346400 -100.838 7.72938 47.2651 7.73018 -86.4566 -83.4962 47.2642 -83.4954 -185.028 GPRESSURE: 4346400 -72.757 -18.1228 -54.1451 1.52821 -41.9291 -100.112 119.93 -127.908 -147.518 PRESSAVG: 4346400 -4.95607 42.3655 19.422 42.3656 -42.9311 -12.7877 19.4219 -12.7877 73.1516 GPRESSAVG: 4346400 -5.5243 45.0939 17.3278 42.3031 -41.6995 -13.248 20.7098 -11.9389 72.5008 TIMING: 4346400 CPU: 12629.2, 0.00290599/step Wall: 12629.2, 0.00290599/step, 0.527598 hours remaining, 207.484375 MB of memory in use. ENERGY: 4346400 766.9572 2066.1232 1915.5730 111.9892 -206184.3090 17721.0824 0.0000 0.0000 34331.6228 -149270.9611 299.8266 -183602.5839 -149168.1654 299.4567 -124.1075 -87.4015 557946.9584 8.4215 8.4257 PRESSURE: 4346600 -193.906 172.871 -231.836 172.87 -144.73 -63.7389 -231.835 -63.7375 74.8336 GPRESSURE: 4346600 -215.327 244.917 -214.859 68.9787 -60.7897 -122.555 -224.956 -62.2381 112.098 PRESSAVG: 4346600 -18.4241 -36.7029 -11.5794 -36.7029 49.4235 -38.0655 -11.5794 -38.0656 -49.8413 GPRESSAVG: 4346600 -18.9571 -38.4551 -11.0866 -36.3076 48.4515 -37.5209 -10.2342 -39.2615 -48.5131 TIMING: 4346600 CPU: 12629.8, 0.00292919/step Wall: 12629.8, 0.00292919/step, 0.531647 hours remaining, 207.484375 MB of memory in use. ENERGY: 4346600 749.2393 2086.2034 1957.5030 111.8445 -206153.8071 17691.6169 0.0000 0.0000 34381.5991 -149175.8010 300.2631 -183557.4001 -149074.0576 299.7542 -87.9342 -54.6729 556606.9374 -6.2806 -6.3395 PRESSURE: 4346800 30.384 -19.2144 -67.2193 -19.2146 -50.7564 -150.568 -67.2207 -150.566 -7.00896 GPRESSURE: 4346800 66.0284 -58.8936 -72.189 56.688 27.4407 -107.095 -103.532 -183.152 -24.863 PRESSAVG: 4346800 -0.864486 -19.9546 -26.1614 -19.9545 -33.9911 -28.0662 -26.1615 -28.0662 25.4035 GPRESSAVG: 4346800 -0.439733 -19.0979 -27.7534 -18.7802 -33.9569 -27.7366 -28.2104 -28.3576 25.1072 TIMING: 4346800 CPU: 12630.4, 0.00290946/step Wall: 12630.4, 0.00290946/step, 0.527905 hours remaining, 207.484375 MB of memory in use. ENERGY: 4346800 806.2239 2110.5193 1966.8281 108.8372 -206230.7025 17852.9081 0.0000 0.0000 34320.2077 -149065.1783 299.7269 -183385.3859 -148969.2466 299.7913 -9.1271 22.8687 557908.8132 -3.1507 -3.0965 PRESSURE: 4347000 -70.3212 14.5825 -203.298 14.5831 -278.903 64.4654 -203.298 64.4655 -101.864 GPRESSURE: 4347000 -52.8656 45.5597 -183.317 52.5827 -276.491 -0.733654 -222.265 103.662 -23.997 PRESSAVG: 4347000 59.3236 -16.9227 -53.0375 -16.9227 0.605825 -31.4445 -53.0374 -31.4446 -43.3231 GPRESSAVG: 4347000 59.6337 -17.5201 -53.0444 -16.3464 0.195812 -29.865 -51.4881 -34.2367 -43.2033 TIMING: 4347000 CPU: 12631, 0.00290682/step Wall: 12631, 0.00290682/step, 0.527265 hours remaining, 207.484375 MB of memory in use. ENERGY: 4347000 805.6457 2118.7065 1968.0633 103.5797 -206204.8116 17680.2468 0.0000 0.0000 34333.7520 -149194.8176 299.8452 -183528.5697 -149094.1689 300.3247 -150.3630 -117.7844 558121.7442 5.5354 5.5420 PRESSURE: 4347200 -222.432 13.3575 -28.2835 13.3574 -140.417 24.697 -28.2843 24.6976 48.5959 GPRESSURE: 4347200 -203.814 -46.8419 -12.496 49.1159 -118.915 15.1058 -41.0235 23.9625 109.777 PRESSAVG: 4347200 5.91216 6.5923 -37.4468 6.59244 -31.0186 12.0934 -37.4469 12.0934 21.5456 GPRESSAVG: 4347200 5.91573 5.37349 -35.2726 6.01461 -30.5035 11.0989 -38.8366 16.4671 20.5753 TIMING: 4347200 CPU: 12631.5, 0.00290088/step Wall: 12631.5, 0.00290088/step, 0.526026 hours remaining, 207.484375 MB of memory in use. ENERGY: 4347200 784.6949 2125.9857 1978.1846 127.2435 -206073.0489 17656.6546 0.0000 0.0000 34374.0925 -149026.1932 300.1975 -183400.2857 -148936.7188 299.6919 -104.7510 -70.9839 560173.8885 -1.1869 -1.3375 PRESSURE: 4347400 44.3056 -18.1524 -44.7688 -18.1521 225.71 22.5512 -44.7684 22.5502 104.746 GPRESSURE: 4347400 110.434 -40.6896 -101.364 -14.4905 226.26 33.4003 -10.4754 116.763 128.038 PRESSAVG: 4347400 45.1452 12.9117 -56.3559 12.9116 -34.8815 -46.3482 -56.356 -46.3482 -25.4933 GPRESSAVG: 4347400 46.48 15.6607 -56.1206 14.0465 -35.7024 -45.2765 -57.2651 -48.0539 -25.9422 TIMING: 4347400 CPU: 12632.1, 0.00286293/step Wall: 12632.1, 0.00286293/step, 0.518985 hours remaining, 207.484375 MB of memory in use. ENERGY: 4347400 760.9112 2122.8351 1944.0573 105.2762 -206905.1853 18283.6458 0.0000 0.0000 34498.9614 -149189.4982 301.2880 -183688.4596 -149095.4404 300.1385 124.9204 154.9109 559241.7040 -5.0765 -5.0549 PRESSURE: 4347600 193.654 42.2956 106.795 42.2962 -240.84 66.7947 106.795 66.7945 -205.99 GPRESSURE: 4347600 194.67 11.7499 121.783 56.0188 -200.027 89.9683 133.925 140.485 -151.639 PRESSAVG: 4347600 2.5021 39.778 14.8232 39.778 50.3547 45.4145 14.8232 45.4144 -56.6173 GPRESSAVG: 4347600 2.22342 38.671 15.433 39.0655 49.6445 43.151 15.3273 46.3306 -54.9263 TIMING: 4347600 CPU: 12632.7, 0.00286167/step Wall: 12632.7, 0.00286167/step, 0.518598 hours remaining, 207.609375 MB of memory in use. ENERGY: 4347600 777.3500 2147.9464 1947.6055 108.9117 -206155.0756 17736.9257 0.0000 0.0000 34033.8927 -149402.4437 297.2264 -183436.3364 -149302.8404 298.5302 -84.3920 -52.3316 558106.8183 -1.2535 -1.0195 PRESSURE: 4347800 -13.2371 59.68 -72.1187 59.6796 -211.137 153.403 -72.1189 153.401 -84.8644 GPRESSURE: 4347800 3.04538 -4.11045 -142.364 19.9252 -139.226 246.209 16.3833 93.5983 -78.418 PRESSAVG: 4347800 45.4052 44.3701 -2.16729 44.3701 12.6432 16.9362 -2.16724 16.9363 -69.4652 GPRESSAVG: 4347800 45.0259 45.2225 -3.00417 43.2787 13.3843 16.7451 -0.82512 16.1244 -69.7573 TIMING: 4347800 CPU: 12633.3, 0.00286618/step Wall: 12633.3, 0.00286618/step, 0.519256 hours remaining, 207.609375 MB of memory in use. ENERGY: 4347800 742.7396 2135.1686 1987.9770 127.0462 -206166.1430 17657.2684 0.0000 0.0000 34229.4177 -149286.5256 298.9340 -183515.9432 -149181.0320 299.2677 -103.0796 -71.5329 556708.9303 -3.8056 -3.7824 PRESSURE: 4348000 89.0584 1.60402 -115.255 1.6049 -152.2 -58.1571 -115.254 -58.1582 244.071 GPRESSURE: 4348000 114.418 72.0826 -52.1464 7.67105 -152.059 -71.2242 -122.266 -70.7655 307.48 PRESSAVG: 4348000 68.5323 -14.0346 -2.32094 -14.0346 -53.2383 -24.8457 -2.321 -24.8456 8.60798 GPRESSAVG: 4348000 68.3844 -12.5028 -2.61319 -12.1629 -52.9641 -24.6475 -2.77757 -24.0355 8.83195 TIMING: 4348000 CPU: 12633.8, 0.0028662/step Wall: 12633.8, 0.0028662/step, 0.5191 hours remaining, 207.609375 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: 4348000 769.6393 2183.1600 1946.3655 112.8572 -206798.4379 18100.3128 0.0000 0.0000 34382.0823 -149304.0208 300.2673 -183686.1031 -149201.3517 298.9075 60.3099 89.9464 555609.5207 7.9674 8.0841 PRESSURE: 4348200 -337.265 -179.095 -159.717 -179.095 -73.0936 -3.30683 -159.717 -3.30653 65.675 GPRESSURE: 4348200 -225.331 -154.02 -111.015 -179.849 -106.631 -33.6123 -172.174 -11.3174 70.5181 PRESSAVG: 4348200 19.9016 -1.13991 -66.6847 -1.13981 -18.4944 -23.8297 -66.6848 -23.8298 -0.50639 GPRESSAVG: 4348200 20.0664 -2.91356 -67.5723 -2.83955 -17.7047 -21.1811 -65.645 -26.1643 -1.48377 TIMING: 4348200 CPU: 12634.4, 0.00287535/step Wall: 12634.4, 0.00287535/step, 0.520599 hours remaining, 207.609375 MB of memory in use. ENERGY: 4348200 745.7736 2157.8640 1950.5252 112.4817 -205912.3534 17439.7219 0.0000 0.0000 34177.1146 -149328.8725 298.4772 -183505.9872 -149234.3956 298.9627 -114.8945 -87.1478 557408.7045 0.3003 0.2926 LDB: ============= START OF LOAD BALANCING ============== 12637.9 LDB: ============== END OF LOAD BALANCING =============== 12637.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12637.9 LDB: ============= START OF LOAD BALANCING ============== 12638.2 LDB: Largest compute 4848 load 0.025223 is 21.4% of average load 0.117805 LDB: Average compute 0.001739 is 1.5% of average load 0.117805 LDB: TIME 12638.2 LOAD: AVG 0.117805 MAX 0.17913 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 12638.2 LOAD: AVG 0.117805 MAX 0.17913 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: TIME 12638.2 LOAD: AVG 0.117805 MAX 0.17913 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12638.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12638.2 PRESSURE: 4348400 -67.5132 -105.116 20.6099 -105.116 -190.346 -198.234 20.6109 -198.235 64.5146 GPRESSURE: 4348400 -36.2229 -172.091 -4.41517 4.75804 -178.051 -242.419 -107.724 -219.193 130.85 PRESSAVG: 4348400 -11.956 -29.6659 12.2021 -29.6659 -60.8608 -35.8698 12.202 -35.8698 55.096 GPRESSAVG: 4348400 -11.6401 -29.428 13.8025 -28.6973 -61.8237 -35.8078 10.7112 -36.5094 55.6421 TIMING: 4348400 CPU: 12635, 0.00295797/step Wall: 12635, 0.00295797/step, 0.535392 hours remaining, 207.152344 MB of memory in use. ENERGY: 4348400 745.3992 2118.8428 1981.3196 115.3165 -206218.4973 17765.9234 0.0000 0.0000 34121.0246 -149370.6711 297.9874 -183491.6958 -149273.8558 298.6592 -64.4482 -27.8079 558614.8378 -5.9069 -5.9406 PRESSURE: 4348600 -13.0896 29.0583 228.445 29.0582 -79.303 14.6288 228.446 14.628 -107.336 GPRESSURE: 4348600 71.2619 -91.7285 251.648 99.9072 -111.866 6.93691 232.109 43.1043 -45.6538 PRESSAVG: 4348600 4.6635 -45.5996 19.6461 -45.5995 5.28087 -35.1069 19.6461 -35.1068 12.9257 GPRESSAVG: 4348600 4.30898 -46.7049 19.8086 -44.8426 6.41586 -35.8237 18.4665 -31.3062 12.2912 TIMING: 4348600 CPU: 12635.6, 0.00288193/step Wall: 12635.6, 0.00288193/step, 0.52147 hours remaining, 207.410156 MB of memory in use. ENERGY: 4348600 756.2365 2145.0032 1951.3542 107.4670 -206304.5101 17813.8890 0.0000 0.0000 34223.3955 -149307.1648 298.8814 -183530.5603 -149208.7527 298.9035 -66.5761 -28.7527 557172.1696 7.6234 7.6720 PRESSURE: 4348800 -63.4491 -74.0915 -53.0375 -74.0913 134.163 9.47872 -53.0385 9.47812 127.086 GPRESSURE: 4348800 -25.8656 -58.3913 -95.1732 -57.402 148.397 -19.2898 -13.0942 -17.4598 171.973 PRESSAVG: 4348800 52.0453 16.7542 18.6675 16.7542 -3.51926 62.4285 18.6675 62.4285 -30.6064 GPRESSAVG: 4348800 53.0075 17.7919 19.4033 16.4161 -4.24628 62.6616 18.9469 60.1456 -30.7391 TIMING: 4348800 CPU: 12636.2, 0.00287637/step Wall: 12636.2, 0.00287637/step, 0.520304 hours remaining, 207.410156 MB of memory in use. ENERGY: 4348800 739.1742 2098.5054 1953.2835 113.5795 -206637.3175 18068.7572 0.0000 0.0000 34290.5393 -149373.4784 299.4678 -183664.0176 -149276.0784 299.1217 65.9334 98.1681 556812.0307 5.9732 6.0074 PRESSURE: 4349000 38.1668 112.764 41.1231 112.764 -5.32016 -30.8085 41.1217 -30.8087 149.493 GPRESSURE: 4349000 82.4818 80.9207 -20.306 120.317 35.5019 -22.4061 -8.36868 -59.2088 169.061 PRESSAVG: 4349000 0.23926 -40.2175 -22.1298 -40.2175 -70.8419 24.3748 -22.1298 24.3747 76.0561 GPRESSAVG: 4349000 -0.0136568 -40.6186 -21.7203 -38.9568 -69.5739 23.7254 -21.2443 23.5339 74.9126 TIMING: 4349000 CPU: 12636.7, 0.00287419/step Wall: 12636.7, 0.00287419/step, 0.519749 hours remaining, 207.410156 MB of memory in use. ENERGY: 4349000 732.3649 2155.2762 1974.9966 117.3228 -205975.9543 17736.6407 0.0000 0.0000 34049.1675 -149210.1855 297.3598 -183259.3530 -149110.0039 298.5231 60.7798 95.6817 557886.9646 1.8178 1.7750 PRESSURE: 4349200 -141.571 71.0365 80.9686 71.036 -144.004 -39.7145 80.9669 -39.7155 -101.098 GPRESSURE: 4349200 -96.6785 94.8125 155.349 53.6374 -181.456 0.439071 43.0032 -75.865 -11.7503 PRESSAVG: 4349200 31.6493 22.9783 -1.53633 22.9782 -69.1266 -3.73108 -1.53641 -3.731 55.3294 GPRESSAVG: 4349200 29.9655 23.5039 -1.48946 23.7676 -68.5986 -2.39523 -2.66506 -3.45785 56.5472 TIMING: 4349200 CPU: 12637.3, 0.00289421/step Wall: 12637.3, 0.00289421/step, 0.52321 hours remaining, 207.410156 MB of memory in use. ENERGY: 4349200 749.9501 2106.0894 1964.5822 111.5466 -206366.2960 17828.6946 0.0000 0.0000 34303.9999 -149301.4332 299.5854 -183605.4331 -149202.9518 298.1543 -128.8909 -96.6283 558300.1567 5.9507 5.9714 PRESSURE: 4349400 -51.065 -51.1773 -1.60817 -51.1782 29.9431 7.35467 -1.60789 7.35278 5.12396 GPRESSURE: 4349400 -38.8528 -91.607 -72.9487 -16.3118 114.353 -47.6145 11.0311 -8.26575 -0.380009 PRESSAVG: 4349400 14.409 -21.7015 -9.56031 -21.7016 -14.0683 -2.74158 -9.56029 -2.7416 -14.6001 GPRESSAVG: 4349400 15.3848 -19.6735 -9.97971 -24.3995 -15.2866 -5.18652 -9.71089 -3.50908 -14.5829 TIMING: 4349400 CPU: 12637.9, 0.00291119/step Wall: 12637.9, 0.00291119/step, 0.526117 hours remaining, 207.410156 MB of memory in use. ENERGY: 4349400 712.1538 2110.5641 1977.2752 120.5904 -206556.0796 17933.7681 0.0000 0.0000 34203.2069 -149498.5210 298.7051 -183701.7280 -149401.6004 298.8134 -5.3327 25.0400 557291.2051 -4.7531 -4.8282 PRESSURE: 4349600 -112.225 45.7265 41.2723 45.7281 -143.394 -118.454 41.2724 -118.453 -276.91 GPRESSURE: 4349600 -48.8834 95.9401 -46.3845 77.3619 -171.894 -164.931 90.6335 -122.3 -213.398 PRESSAVG: 4349600 -22.2221 22.7885 -20.326 22.7885 0.377956 6.84496 -20.3259 6.84498 2.0993 GPRESSAVG: 4349600 -22.1268 20.8323 -21.614 23.9925 -1.23595 7.30707 -19.5105 9.38048 2.9631 TIMING: 4349600 CPU: 12638.5, 0.00290354/step Wall: 12638.5, 0.00290354/step, 0.524573 hours remaining, 207.410156 MB of memory in use. ENERGY: 4349600 797.5980 2140.6736 1978.2520 121.7687 -206307.6109 17563.5338 0.0000 0.0000 34115.7900 -149589.9949 297.9417 -183705.7848 -149490.2807 298.9329 -177.5099 -144.7251 555882.3444 -6.5816 -6.7999 PRESSURE: 4349800 -70.419 -55.8729 -80.599 -55.8715 101.612 -38.6734 -80.5989 -38.6728 158.986 GPRESSURE: 4349800 -72.5574 -99.7049 -140.645 -87.5226 175.816 -22.7123 -35.3123 5.19713 174.102 PRESSAVG: 4349800 20.0763 64.3333 8.09812 64.3333 -12.5172 -27.3144 8.09822 -27.3142 -54.4533 GPRESSAVG: 4349800 19.2871 64.9691 8.69609 64.9014 -11.4397 -25.6993 7.82537 -29.5745 -54.8148 TIMING: 4349800 CPU: 12639.1, 0.00290915/step Wall: 12639.1, 0.00290915/step, 0.525425 hours remaining, 207.410156 MB of memory in use. ENERGY: 4349800 764.2457 2099.6113 1947.7884 125.9943 -206939.1293 18030.9838 0.0000 0.0000 34331.3339 -149639.1720 299.8241 -183970.5059 -149547.3728 298.9703 63.3930 92.4538 555136.6932 -15.6314 -15.6558 PRESSURE: 4350000 113.831 -86.2138 -63.1208 -86.2124 -15.4643 -6.76901 -63.122 -6.76883 -204.219 GPRESSURE: 4350000 151.541 -69.8932 -17.0876 -105.044 -6.23577 -52.4815 -75.5303 -6.91976 -151.616 PRESSAVG: 4350000 -2.8825 -6.40346 -45.4656 -6.40357 -70.6348 -31.0586 -45.4656 -31.0587 26.4654 GPRESSAVG: 4350000 -2.77625 -8.08817 -44.222 -6.61871 -70.9091 -31.0221 -46.7352 -32.775 26.2687 TIMING: 4350000 CPU: 12639.6, 0.00290373/step Wall: 12639.6, 0.00290373/step, 0.524284 hours remaining, 207.710938 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: 4350000 749.9042 2123.5142 1965.6804 123.6175 -206552.7445 17911.1093 0.0000 0.0000 34365.4111 -149313.5077 300.1217 -183678.9188 -149224.4202 299.2655 -35.2838 -2.1035 557318.8871 -15.6840 -15.8056 PRESSURE: 4350200 -3.76594 2.52109 -14.2437 2.52008 113.459 -135.032 -14.2434 -135.032 -19.1105 GPRESSURE: 4350200 8.75267 -9.07715 -3.44026 16.0101 151.423 -121.371 0.284673 -119.121 36.1424 PRESSAVG: 4350200 9.78713 10.6209 6.66693 10.6209 1.98606 -7.50014 6.66695 -7.50025 -0.0448509 GPRESSAVG: 4350200 9.91701 12.5537 6.46355 8.68662 1.99523 -7.32351 7.24682 -6.46207 -0.577801 TIMING: 4350200 CPU: 12640.2, 0.0029003/step Wall: 12640.2, 0.0029003/step, 0.523504 hours remaining, 207.710938 MB of memory in use. ENERGY: 4350200 743.5600 2108.7202 1981.2235 107.0906 -206313.6486 17683.1496 0.0000 0.0000 34266.5262 -149423.3786 299.2581 -183689.9048 -149330.0569 299.2578 30.1940 65.4393 556491.1448 3.9094 3.7781 PRESSURE: 4350400 -11.2897 -198.429 142.296 -198.429 -259.945 -48.6035 142.295 -48.6051 -52.8686 GPRESSURE: 4350400 21.7021 -298.459 116.326 -117.363 -242.89 10.3725 54.4443 -40.2387 -4.696 PRESSAVG: 4350400 -35.1724 -22.1328 64.9144 -22.1326 14.6428 -7.63791 64.9144 -7.63793 -33.5315 GPRESSAVG: 4350400 -35.4952 -24.1853 62.4612 -20.0018 14.1487 -7.80269 67.5294 -8.9381 -32.7984 TIMING: 4350400 CPU: 12640.8, 0.00290877/step Wall: 12640.8, 0.00290877/step, 0.524872 hours remaining, 207.710938 MB of memory in use. ENERGY: 4350400 735.6267 2110.3315 1975.9378 119.5329 -206004.1304 17708.4411 0.0000 0.0000 33982.8579 -149371.4025 296.7808 -183354.2604 -149278.0871 297.5046 -108.0344 -75.2948 558250.7139 -18.0204 -18.0483 PRESSURE: 4350600 -268.957 -37.363 -44.9536 -37.3639 81.6419 4.93366 -44.9543 4.93417 -344.546 GPRESSURE: 4350600 -267.566 -52.263 -96.5878 -103.061 70.772 15.6329 -1.81179 -59.3343 -259.749 PRESSAVG: 4350600 29.7233 -40.6192 7.0042 -40.6193 19.1996 25.9545 7.00416 25.9545 0.751567 GPRESSAVG: 4350600 29.9563 -38.7545 7.33268 -42.3996 19.2405 24.9296 6.3646 28.15 0.446528 TIMING: 4350600 CPU: 12641.4, 0.00289397/step Wall: 12641.4, 0.00289397/step, 0.52204 hours remaining, 207.710938 MB of memory in use. ENERGY: 4350600 735.2975 2098.6363 1970.5291 110.8127 -206248.1124 17626.6262 0.0000 0.0000 34401.0496 -149305.1611 300.4329 -183706.2108 -149208.0534 299.2571 -177.2870 -152.1811 557103.8042 16.5582 16.5478 PRESSURE: 4350800 -74.8042 -15.1724 7.62519 -15.1726 127.216 51.9634 7.62463 51.964 0.68218 GPRESSURE: 4350800 -47.0307 -60.4599 -29.9538 32.6811 182.102 -17.0704 -37.4566 103.149 8.50885 PRESSAVG: 4350800 -15.1763 3.59032 49.7755 3.59027 81.2863 -7.31418 49.7755 -7.31421 -37.3428 GPRESSAVG: 4350800 -15.7908 1.90454 51.3053 3.44149 81.5607 -7.1668 48.9372 -8.57988 -37.0712 TIMING: 4350800 CPU: 12642, 0.00292369/step Wall: 12642, 0.00292369/step, 0.527238 hours remaining, 207.710938 MB of memory in use. ENERGY: 4350800 735.2586 2068.2518 1985.8767 117.0148 -206324.1859 17757.9251 0.0000 0.0000 34411.7291 -149248.1299 300.5262 -183659.8590 -149145.0134 299.5944 17.6980 47.8602 557341.9830 9.5891 9.5662 PRESSURE: 4351000 93.4116 -69.1391 100.806 -69.1392 -150.241 107.209 100.806 107.208 55.3657 GPRESSURE: 4351000 113.883 -70.2882 140.974 -37.5913 -112.755 69.5557 116.793 138.179 93.8195 PRESSAVG: 4351000 5.94793 -44.6215 19.4716 -44.6215 -61.0768 33.2135 19.4715 33.2135 8.10705 GPRESSAVG: 4351000 6.90028 -41.8942 18.8799 -44.4074 -61.7033 31.4515 19.1287 34.9422 7.90621 TIMING: 4351000 CPU: 12642.6, 0.00294765/step Wall: 12642.6, 0.00294765/step, 0.531397 hours remaining, 207.710938 MB of memory in use. ENERGY: 4351000 732.2311 2049.8470 1942.4600 107.3788 -206404.7556 17973.5809 0.0000 0.0000 34204.4581 -149394.7996 298.7160 -183599.2577 -149294.8620 298.8987 -0.4880 31.6491 559249.4217 -15.6739 -15.6323 PRESSURE: 4351200 -106.271 13.4973 209.282 13.498 -261.567 18.323 209.283 18.3243 -75.4738 GPRESSURE: 4351200 -142.788 14.5536 189.172 -22.4914 -220.758 62.2186 228.45 -18.5311 9.31804 PRESSAVG: 4351200 12.3222 52.6017 12.0056 52.6017 -60.4235 38.8716 12.0056 38.8716 56.3735 GPRESSAVG: 4351200 11.1193 51.4147 12.5949 53.7008 -58.9855 41.0459 13.1452 38.3069 56.662 TIMING: 4351200 CPU: 12643.1, 0.00293606/step Wall: 12643.1, 0.00293606/step, 0.529143 hours remaining, 207.710938 MB of memory in use. ENERGY: 4351200 750.0377 2072.6931 1952.6267 124.3743 -206112.2863 17674.0803 0.0000 0.0000 34110.0003 -149428.4738 297.8911 -183538.4741 -149333.7190 298.7255 -147.7705 -118.0760 558175.3741 2.7574 2.9319 PRESSURE: 4351400 154.666 61.5964 208.243 61.5964 -128.15 -51.4197 208.244 -51.4206 -97.4901 GPRESSURE: 4351400 171.094 -19.4214 196.186 86.3057 -100.793 -43.3885 170.82 37.7877 -36.5061 PRESSAVG: 4351400 21.8367 17.7447 95.4404 17.7447 -40.9508 -23.7757 95.4405 -23.7757 80.9627 GPRESSAVG: 4351400 22.816 16.1394 95.7345 17.4475 -41.0804 -23.6812 92.5801 -23.3871 80.0043 TIMING: 4351400 CPU: 12643.7, 0.0029348/step Wall: 12643.7, 0.0029348/step, 0.528753 hours remaining, 207.710938 MB of memory in use. ENERGY: 4351400 756.5753 2089.1911 1935.7412 111.7186 -206531.3940 17832.1954 0.0000 0.0000 34509.3262 -149296.6461 301.3785 -183805.9723 -149201.7583 299.4570 -23.6581 11.2650 557273.0310 20.6162 20.5800 PRESSURE: 4351600 -243.32 88.2236 -16.6047 88.2241 -182.943 -210.863 -16.6049 -210.865 253.482 GPRESSURE: 4351600 -175.854 24.225 -34.1147 225.02 -123.931 -144.26 45.5284 -131.652 219.906 PRESSAVG: 4351600 -16.3218 33.688 -11.386 33.688 -40.5328 -26.4667 -11.386 -26.4668 71.5244 GPRESSAVG: 4351600 -17.0449 35.2931 -13.7967 33.5299 -40.6026 -25.4812 -9.62281 -25.5295 72.4281 TIMING: 4351600 CPU: 12644.3, 0.00291469/step Wall: 12644.3, 0.00291469/step, 0.524968 hours remaining, 207.710938 MB of memory in use. ENERGY: 4351600 757.4633 2076.8361 1967.2716 121.7091 -206551.8708 17996.0086 0.0000 0.0000 34269.7200 -149362.8620 299.2860 -183632.5820 -149270.0888 298.9851 -57.5938 -26.6263 559552.0791 4.8899 4.9269 PRESSURE: 4351800 119.655 -129.658 153.43 -129.657 -59.6373 -50.4983 153.43 -50.4986 -154.476 GPRESSURE: 4351800 98.5387 -121.479 96.3566 -99.7933 -20.1837 -101.719 149.308 -53.4257 -88.576 PRESSAVG: 4351800 -47.7778 -1.48769 3.05779 -1.48769 3.54018 -78.6667 3.0579 -78.6667 -13.4505 GPRESSAVG: 4351800 -48.4464 -0.918673 3.15647 1.27246 3.96188 -79.9725 4.52559 -80.6303 -12.936 TIMING: 4351800 CPU: 12644.9, 0.00291209/step Wall: 12644.9, 0.00291209/step, 0.524338 hours remaining, 207.710938 MB of memory in use. ENERGY: 4351800 758.2549 2070.4454 1948.9958 115.8087 -206292.7193 17772.5526 0.0000 0.0000 34200.6734 -149425.9885 298.6830 -183626.6619 -149331.7781 299.0168 -31.4862 -3.4070 556343.5267 -19.2294 -19.1402 PRESSURE: 4352000 -147.709 42.3878 -38.8629 42.3884 -3.23522 -170.414 -38.8639 -170.414 -221.17 GPRESSURE: 4352000 -116.637 98.2605 -90.0526 37.1489 11.1492 -130.479 -67.1546 -106.938 -175.909 PRESSAVG: 4352000 1.9413 -42.399 2.73073 -42.399 28.183 51.2728 2.73077 51.2729 -50.0246 GPRESSAVG: 4352000 2.98803 -40.7812 1.93333 -43.9318 27.5779 50.2029 0.470718 49.8924 -50.3966 TIMING: 4352000 CPU: 12645.5, 0.00289399/step Wall: 12645.5, 0.00289398/step, 0.520917 hours remaining, 207.710938 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: 4352000 726.7814 2108.4004 1926.8120 115.9657 -206223.1731 17559.4096 0.0000 0.0000 34283.6633 -149502.1408 299.4078 -183785.8041 -149408.4134 298.5642 -124.0380 -93.7989 556516.7992 -6.6334 -6.6102 PRESSURE: 4352200 -360.352 -95.8081 164.644 -95.8087 43.2 -172.366 164.645 -172.366 104.052 GPRESSURE: 4352200 -304.608 -147.142 74.3621 -105.668 32.9509 -156.306 161.289 -165.107 154.275 PRESSAVG: 4352200 55.3097 9.09025 21.9171 9.09038 50.8492 23.0125 21.9171 23.0125 -54.3953 GPRESSAVG: 4352200 54.4364 6.69964 21.4088 10.114 51.5438 25.3532 23.4288 24.8568 -54.6374 TIMING: 4352200 CPU: 12646.1, 0.00290029/step Wall: 12646.1, 0.00290029/step, 0.521892 hours remaining, 207.710938 MB of memory in use. ENERGY: 4352200 744.8079 2024.3895 1964.7582 109.7421 -206413.7009 17842.1486 0.0000 0.0000 34044.8144 -149683.0404 297.3218 -183727.8547 -149583.2498 298.4575 -71.0335 -39.1275 555517.5076 17.2545 17.1143 LDB: ============= START OF LOAD BALANCING ============== 12649.5 LDB: ============== END OF LOAD BALANCING =============== 12649.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12649.5 LDB: ============= START OF LOAD BALANCING ============== 12649.8 LDB: Largest compute 4848 load 0.026619 is 22.6% of average load 0.117757 LDB: Average compute 0.001736 is 1.5% of average load 0.117757 LDB: TIME 12649.8 LOAD: AVG 0.117757 MAX 0.182473 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 12649.8 LOAD: AVG 0.117757 MAX 0.182473 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: TIME 12649.8 LOAD: AVG 0.117757 MAX 0.182473 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: ============== END OF LOAD BALANCING =============== 12649.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12649.8 PRESSURE: 4352400 87.1258 -197.392 92.7306 -197.391 -129.009 -0.773652 92.7306 -0.772167 -233.36 GPRESSURE: 4352400 124.429 -259.804 81.7512 -127.449 -49.3502 12.6647 74.1827 -78.8101 -247.867 PRESSAVG: 4352400 95.5615 -50.9479 17.2496 -50.948 13.0182 -11.9361 17.2496 -11.9361 -42.6761 GPRESSAVG: 4352400 95.393 -49.0389 18.1805 -52.6377 12.9342 -12.6108 16.0172 -12.784 -41.9834 TIMING: 4352400 CPU: 12646.6, 0.0029857/step Wall: 12646.6, 0.0029857/step, 0.537094 hours remaining, 206.074219 MB of memory in use. ENERGY: 4352400 725.4354 2089.7172 1961.1185 110.8856 -206360.4336 17919.2396 0.0000 0.0000 34050.3791 -149503.6582 297.3704 -183554.0373 -149410.9662 297.9596 -91.7480 -57.5962 558947.9287 21.9679 22.1146 PRESSURE: 4352600 15.5315 -80.9633 140.065 -80.9639 100.638 -25.6854 140.063 -25.6875 133.968 GPRESSURE: 4352600 109.764 -9.91201 154.829 -118.257 58.7556 20.2685 143.866 -45.954 177.342 PRESSAVG: 4352600 45.438 2.14618 13.8911 2.14617 -39.5509 77.7092 13.8911 77.7093 -8.73479 GPRESSAVG: 4352600 47.2692 1.37684 12.2533 2.88101 -40.8832 78.4132 15.2627 77.119 -9.68293 TIMING: 4352600 CPU: 12647.2, 0.00294898/step Wall: 12647.2, 0.00294898/step, 0.530325 hours remaining, 206.074219 MB of memory in use. ENERGY: 4352600 722.3231 2110.5596 1945.0598 126.3375 -206858.2348 18136.4616 0.0000 0.0000 34236.2804 -149581.2129 298.9940 -183817.4933 -149491.2934 298.3275 83.3791 115.2870 556517.3569 -0.9492 -1.0990 PRESSURE: 4352800 74.1191 10.7385 -120.255 10.738 145.604 55.4228 -120.254 55.4241 -172.529 GPRESSURE: 4352800 124.327 51.3853 -172.814 -33.678 169.671 76.1373 -10.9597 9.08677 -151.458 PRESSAVG: 4352800 12.0252 15.7484 98.8777 15.7485 29.742 49.4093 98.8777 49.4093 -9.75398 GPRESSAVG: 4352800 11.714 14.3538 98.6251 16.3261 30.6029 49.2998 99.8001 50.042 -10.8471 TIMING: 4352800 CPU: 12647.8, 0.00292999/step Wall: 12647.8, 0.00292999/step, 0.526746 hours remaining, 206.074219 MB of memory in use. ENERGY: 4352800 730.6370 2072.4557 1946.4482 111.1548 -206569.8949 17872.0220 0.0000 0.0000 34262.8257 -149574.3515 299.2258 -183837.1771 -149472.1609 298.6879 15.7311 47.5131 556617.6162 10.6711 10.4899 PRESSURE: 4353000 -14.5447 26.2286 13.4411 26.2289 -36.2237 -63.4595 13.4414 -63.4583 -59.4967 GPRESSURE: 4353000 -0.160833 79.2458 18.2888 -6.0799 -1.44471 -59.1577 -19.4919 10.9748 1.25077 PRESSAVG: 4353000 66.4892 32.3451 43.5015 32.3451 -50.3738 14.0452 43.5015 14.0452 -38.5306 GPRESSAVG: 4353000 65.5617 34.4304 46.5543 31.8114 -50.1159 12.7334 42.0512 13.573 -37.4595 TIMING: 4353000 CPU: 12648.4, 0.00292311/step Wall: 12648.4, 0.00292311/step, 0.525348 hours remaining, 206.074219 MB of memory in use. ENERGY: 4353000 727.3504 2098.8142 1938.5209 111.6179 -206401.1613 17813.3136 0.0000 0.0000 34195.3529 -149516.1915 298.6365 -183711.5444 -149415.0636 298.3704 -36.7550 -0.1183 556235.5273 -7.4717 -7.3379 PRESSURE: 4353200 19.8473 78.7877 91.4231 78.7873 -42.7661 -148.634 91.4228 -148.635 89.2793 GPRESSURE: 4353200 91.3567 -9.15058 34.8373 54.5869 -0.449372 -100.249 47.1792 -185.864 74.4601 PRESSAVG: 4353200 2.43256 33.8731 -3.6829 33.8732 -6.73551 -48.2357 -3.68285 -48.2357 -13.4859 GPRESSAVG: 4353200 2.23395 32.9318 -4.82283 33.1282 -6.53641 -48.8743 -4.35068 -47.8754 -13.4071 TIMING: 4353200 CPU: 12649, 0.0029029/step Wall: 12649, 0.0029029/step, 0.521554 hours remaining, 206.074219 MB of memory in use. ENERGY: 4353200 759.3798 2052.4817 1940.6628 110.9236 -206550.2335 17918.2707 0.0000 0.0000 34194.0202 -149574.4948 298.6249 -183768.5149 -149487.2681 298.6419 22.1202 55.1225 557628.6152 -5.9296 -5.9032 PRESSURE: 4353400 282.486 -118.51 -72.3984 -118.509 -68.0819 205.819 -72.3986 205.821 -277.935 GPRESSURE: 4353400 263.206 -32.4435 -175.316 -119.809 19.1704 232.075 -59.2162 155.292 -244.051 PRESSAVG: 4353400 87.3541 -19.5909 -20.5963 -19.5909 -44.1098 -11.1882 -20.5963 -11.1883 -36.8467 GPRESSAVG: 4353400 86.7097 -19.5077 -20.6518 -18.6771 -44.7399 -10.2271 -20.6418 -11.1753 -35.8274 TIMING: 4353400 CPU: 12649.6, 0.00288286/step Wall: 12649.6, 0.00288286/step, 0.517794 hours remaining, 206.074219 MB of memory in use. ENERGY: 4353400 763.5265 2149.4170 1936.0311 115.1563 -206514.0408 17833.4364 0.0000 0.0000 34319.1760 -149397.2975 299.7179 -183716.4735 -149308.9202 298.0608 -21.1769 12.7754 556829.6645 2.1325 2.0475 PRESSURE: 4353600 -153.738 13.4607 -158.59 13.4602 -145.989 20.8091 -158.59 20.8103 -415.494 GPRESSURE: 4353600 -120.932 67.8675 -55.4403 26.3187 -131.336 28.3639 -148.455 32.6427 -375.795 PRESSAVG: 4353600 23.0553 1.077 9.44198 1.07708 33.3879 22.3042 9.44195 22.3042 -73.8686 GPRESSAVG: 4353600 23.2427 0.649207 9.9332 0.240848 33.4882 19.6766 11.1343 24.6778 -75.0131 TIMING: 4353600 CPU: 12650.1, 0.00289003/step Wall: 12650.1, 0.00289003/step, 0.51892 hours remaining, 206.132812 MB of memory in use. ENERGY: 4353600 773.0043 2153.1790 1958.1866 111.7083 -206125.6547 17617.0295 0.0000 0.0000 34080.1146 -149432.4324 297.6301 -183512.5470 -149341.3913 298.7349 -238.4068 -209.3542 558674.8439 -5.8085 -6.0941 PRESSURE: 4353800 151.122 67.3538 -158.656 67.3543 -305.487 -101.096 -158.656 -101.096 209.233 GPRESSURE: 4353800 157.158 119.642 -159.905 -25.0787 -233.621 6.91324 -62.7231 -132.183 226.275 PRESSAVG: 4353800 7.02224 -51.2897 1.5495 -51.2898 -9.18565 6.96436 1.54945 6.96439 12.7182 GPRESSAVG: 4353800 6.31423 -53.3299 -0.81343 -50.2041 -8.50218 8.40129 1.51217 5.94381 13.1186 TIMING: 4353800 CPU: 12650.7, 0.00290703/step Wall: 12650.7, 0.00290703/step, 0.521812 hours remaining, 206.132812 MB of memory in use. ENERGY: 4353800 780.0073 2069.6836 1939.5438 119.7157 -206252.1354 17947.4494 0.0000 0.0000 34018.8674 -149376.8682 297.0952 -183395.7356 -149278.1494 298.7275 18.2893 49.9374 558035.6783 3.5183 3.6436 PRESSURE: 4354000 7.20195 -101.667 -102.213 -101.668 -123.478 165.475 -102.213 165.475 -10.4393 GPRESSURE: 4354000 15.503 -32.1609 -94.1003 -70.5154 -85.6578 167.6 -120.65 74.4665 32.7896 PRESSAVG: 4354000 9.99655 3.8447 -20.9123 3.84477 -12.8214 -26.6634 -20.9123 -26.6634 29.601 GPRESSAVG: 4354000 11.7579 5.9299 -18.5738 4.74098 -14.6823 -27.2167 -21.8712 -28.1897 29.7532 TIMING: 4354000 CPU: 12651.3, 0.00289145/step Wall: 12651.3, 0.00289145/step, 0.518855 hours remaining, 206.132812 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: 4354000 744.3759 2169.0856 1952.0314 106.9280 -206129.8083 17626.2677 0.0000 0.0000 34301.5970 -149229.5227 299.5644 -183531.1196 -149131.8980 299.1048 -42.2386 -12.4551 557660.7409 8.9254 8.9429 PRESSURE: 4354200 169.297 80.4884 69.1063 80.4884 173.245 -6.71821 69.1064 -6.71827 -309.509 GPRESSURE: 4354200 161.273 138.583 93.0749 65.1488 204.587 4.19627 94.4983 -35.4998 -248.134 PRESSAVG: 4354200 44.4198 9.43953 -6.30653 9.43956 12.8327 -30.8809 -6.3065 -30.8811 -10.6998 GPRESSAVG: 4354200 44.2865 8.90112 -6.76545 8.19649 14.7486 -30.8388 -6.76089 -28.9852 -12.1948 TIMING: 4354200 CPU: 12651.9, 0.00290681/step Wall: 12651.9, 0.00290681/step, 0.52145 hours remaining, 206.132812 MB of memory in use. ENERGY: 4354200 748.2969 2105.6589 1925.1249 118.4678 -206180.9481 17709.5575 0.0000 0.0000 34352.1345 -149221.7073 300.0057 -183573.8419 -149127.1446 299.8462 11.0110 39.2419 555858.5932 15.5176 15.6134 PRESSURE: 4354400 64.9604 -120.203 191.64 -120.204 -9.83002 225.698 191.642 225.698 -236.354 GPRESSURE: 4354400 20.699 -219.019 183.2 -84.6422 100.413 146.369 112.934 228.738 -212.931 PRESSAVG: 4354400 9.28193 2.99296 5.88207 2.99306 18.3658 -51.1177 5.882 -51.1178 -34.5239 GPRESSAVG: 4354400 8.00577 3.90098 7.74928 1.6708 18.0861 -52.0807 4.66403 -51.0912 -33.2968 TIMING: 4354400 CPU: 12652.5, 0.00290685/step Wall: 12652.5, 0.00290685/step, 0.521295 hours remaining, 206.132812 MB of memory in use. ENERGY: 4354400 780.7987 2089.5651 1924.2656 106.4661 -206202.3766 17731.2599 0.0000 0.0000 34287.8277 -149282.1935 299.4441 -183570.0212 -149186.0285 298.8256 -60.4079 -30.6063 556580.0669 -2.2921 -2.4016 PRESSURE: 4354600 101.46 -70.4312 161.291 -70.4313 -62.0268 140.079 161.29 140.08 -160.912 GPRESSURE: 4354600 80.0909 -141.455 163.763 13.1465 38.377 -10.0487 96.8508 183.204 -134.832 PRESSAVG: 4354600 4.45825 15.818 13.7026 15.8181 -14.7351 -27.9182 13.7026 -27.9181 36.001 GPRESSAVG: 4354600 6.04636 15.1178 11.7804 17.5074 -15.8003 -26.7492 14.9488 -27.8024 36.4789 TIMING: 4354600 CPU: 12653, 0.0029042/step Wall: 12653, 0.0029042/step, 0.520659 hours remaining, 206.199219 MB of memory in use. ENERGY: 4354600 758.5124 2070.4429 1935.4741 101.4767 -205871.1908 17626.7627 0.0000 0.0000 34215.1342 -149163.3878 298.8093 -183378.5220 -149061.8271 298.6498 -40.4930 -5.4547 556950.4636 8.5747 8.9083 PRESSURE: 4354800 -283.011 -54.6955 -209.945 -54.6966 -129.978 71.3426 -209.944 71.3434 -55.7993 GPRESSURE: 4354800 -271.825 -27.1771 -202.787 -31.4639 -102.487 58.1903 -168.09 -3.53391 -2.19435 PRESSAVG: 4354800 11.4487 39.0852 11.0361 39.0851 45.9681 28.5198 11.0361 28.5198 -38.6153 GPRESSAVG: 4354800 10.6055 37.9586 9.94279 39.5587 47.2819 27.6193 12.6317 26.8481 -38.662 TIMING: 4354800 CPU: 12653.6, 0.00291932/step Wall: 12653.6, 0.00291932/step, 0.523207 hours remaining, 206.199219 MB of memory in use. ENERGY: 4354800 770.8639 2098.9525 1963.5070 125.6948 -206222.8488 17672.6792 0.0000 0.0000 34398.0116 -149193.1399 300.4064 -183591.1515 -149096.8478 299.4288 -156.2628 -125.5022 557383.2856 6.2671 6.4085 PRESSURE: 4355000 51.8033 132.863 -41.0551 132.864 -81.3171 -167.53 -41.0543 -167.53 276.555 GPRESSURE: 4355000 79.3248 108.033 -49.884 142.081 -62.6739 -49.2633 -74.2637 -145.069 324.379 PRESSAVG: 4355000 -15.8272 20.0247 -67.3759 20.0247 -28.2172 0.146831 -67.3758 0.14695 85.8404 GPRESSAVG: 4355000 -15.3366 22.2845 -68.3399 15.3838 -29.3516 0.433272 -66.9538 0.949972 86.6929 TIMING: 4355000 CPU: 12654.2, 0.0029096/step Wall: 12654.2, 0.0029096/step, 0.521303 hours remaining, 206.199219 MB of memory in use. ENERGY: 4355000 733.7368 2055.2553 1950.2042 122.0053 -206083.0896 17744.9665 0.0000 0.0000 34573.3869 -148903.5347 301.9380 -183476.9216 -148804.8639 299.7652 82.3472 113.6766 556431.2188 13.9320 14.0016 PRESSURE: 4355200 -35.9612 -135.187 81.8828 -135.186 175.73 44.786 81.8824 44.7857 136.865 GPRESSURE: 4355200 -1.22493 -142.058 94.1779 -135.205 155.532 36.1713 134.02 149.412 212.747 PRESSAVG: 4355200 -75.2777 -11.3839 3.68598 -11.384 60.8913 -8.61584 3.68597 -8.61597 17.2979 GPRESSAVG: 4355200 -75.0514 -12.3067 6.40041 -8.57294 61.7495 -10.4365 3.29235 -9.34704 16.1849 TIMING: 4355200 CPU: 12654.8, 0.00289441/step Wall: 12654.8, 0.00289441/step, 0.518421 hours remaining, 206.199219 MB of memory in use. ENERGY: 4355200 726.2886 2123.2908 1937.9527 112.1887 -206162.4488 17855.2166 0.0000 0.0000 34380.9021 -149026.6093 300.2570 -183407.5114 -148930.5775 299.7612 92.2114 122.3513 556060.8372 0.9705 0.9610 PRESSURE: 4355400 -113.906 194.288 210.028 194.288 -177.454 -165.256 210.03 -165.256 -20.1988 GPRESSURE: 4355400 -107.963 72.2124 262.684 211.162 -134.559 -90.2598 135.742 -263.412 23.0565 PRESSAVG: 4355400 -34.6421 1.13195 31.9539 1.132 21.3647 -33.7349 31.9538 -33.7349 34.413 GPRESSAVG: 4355400 -35.3232 2.25674 30.9233 2.0871 21.3758 -31.2801 30.4549 -32.9484 34.7598 TIMING: 4355400 CPU: 12655.4, 0.00291439/step Wall: 12655.4, 0.00291439/step, 0.521837 hours remaining, 206.199219 MB of memory in use. ENERGY: 4355400 767.4417 2116.7658 1936.8293 116.9790 -206178.7035 17678.1891 0.0000 0.0000 34447.5952 -149114.9035 300.8394 -183562.4987 -149020.0362 300.0538 -103.8528 -73.1553 556027.8097 7.0452 6.9374 PRESSURE: 4355600 70.3756 91.1529 -30.3353 91.1528 -233.187 8.57706 -30.3359 8.57722 -186.305 GPRESSURE: 4355600 74.0593 137.383 -7.52616 3.01348 -237.837 69.4732 -21.1289 64.7556 -81.2152 PRESSAVG: 4355600 27.9011 26.1735 -16.6719 26.1735 -7.1127 -39.0403 -16.6719 -39.0403 -23.5874 GPRESSAVG: 4355600 29.1738 26.0917 -14.1799 24.0749 -7.96029 -37.797 -16.9157 -39.4066 -23.9462 TIMING: 4355600 CPU: 12656, 0.00289523/step Wall: 12656, 0.00289523/step, 0.518245 hours remaining, 206.199219 MB of memory in use. ENERGY: 4355600 756.3701 2163.4664 1944.9035 107.2954 -205840.0158 17628.5061 0.0000 0.0000 34141.6128 -149097.8615 298.1672 -183239.4743 -149003.6475 298.9805 -116.3723 -81.6644 558427.7304 -0.9330 -0.9109 PRESSURE: 4355800 -223.144 23.2468 161.697 23.247 -184.798 122.953 161.697 122.954 131.476 GPRESSURE: 4355800 -119.597 -4.02893 173.217 48.6248 -133.726 198.033 169.982 120.727 70.6621 PRESSAVG: 4355800 21.6417 63.2437 -21.7658 63.2437 -20.609 -2.67954 -21.7659 -2.67957 18.7143 GPRESSAVG: 4355800 22.8922 64.2456 -24.17 64.5333 -21.5534 -2.15051 -20.4304 -3.69203 18.0522 TIMING: 4355800 CPU: 12656.5, 0.00289722/step Wall: 12656.5, 0.00289722/step, 0.518441 hours remaining, 206.199219 MB of memory in use. ENERGY: 4355800 739.6219 2106.5256 1935.6549 103.4917 -205810.7614 17658.9054 0.0000 0.0000 34282.5863 -148983.9757 299.3984 -183266.5620 -148885.5752 299.9021 -92.1551 -60.8868 557728.9060 6.5823 6.4636 PRESSURE: 4356000 69.4131 120.94 25.5595 120.939 75.6372 -59.6769 25.5593 -59.6772 -32.776 GPRESSURE: 4356000 77.0244 137.79 16.3956 81.3095 152.413 -55.4233 28.5127 -37.2408 -31.5866 PRESSAVG: 4356000 -38.9619 -38.0035 21.1499 -38.0036 -25.1438 -26.8474 21.1499 -26.8474 21.235 GPRESSAVG: 4356000 -42.0873 -38.4324 20.268 -38.5995 -22.5913 -29.6179 21.0565 -25.9184 21.8877 TIMING: 4356000 CPU: 12657.1, 0.00291033/step Wall: 12657.1, 0.00291033/step, 0.520626 hours remaining, 206.199219 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: 4356000 772.4927 2094.3739 1971.5011 118.4396 -206175.9202 17845.2020 0.0000 0.0000 34334.0267 -149039.8843 299.8476 -183373.9110 -148940.1863 299.3588 37.4248 65.9504 556617.7838 -14.2903 -14.2636 PRESSURE: 4356200 -271.159 208.335 -161.435 208.334 -52.1106 45.7806 -161.436 45.7809 337.749 GPRESSURE: 4356200 -209.06 229.386 -195.828 162.818 -22.4053 37.1805 -56.8283 -18.5812 342.636 PRESSAVG: 4356200 -33.4051 22.9971 -22.1614 22.9972 47.4305 -28.9996 -22.1614 -28.9997 40.0183 GPRESSAVG: 4356200 -32.2297 23.8574 -20.7463 22.772 46.4189 -26.8634 -20.1382 -30.3821 39.4229 TIMING: 4356200 CPU: 12657.7, 0.00288771/step Wall: 12657.7, 0.00288771/step, 0.516418 hours remaining, 206.199219 MB of memory in use. ENERGY: 4356200 752.4752 2072.8079 1951.7016 116.4305 -206005.4472 17774.8139 0.0000 0.0000 34310.0399 -149027.1782 299.6381 -183337.2180 -148934.1656 300.1115 4.8264 37.0572 557923.6306 18.0146 17.8707 LDB: ============= START OF LOAD BALANCING ============== 12661.2 LDB: ============== END OF LOAD BALANCING =============== 12661.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661.2 LDB: ============= START OF LOAD BALANCING ============== 12661.4 LDB: Largest compute 4848 load 0.025091 is 21.3% of average load 0.117665 LDB: Average compute 0.001738 is 1.5% of average load 0.117665 LDB: TIME 12661.5 LOAD: AVG 0.117665 MAX 0.180339 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 12661.5 LOAD: AVG 0.117665 MAX 0.180339 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: TIME 12661.5 LOAD: AVG 0.117665 MAX 0.180339 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.594 MB LDB: ============== END OF LOAD BALANCING =============== 12661.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12661.5 PRESSURE: 4356400 60.8773 -115.189 213.372 -115.191 -372.53 107.407 213.371 107.406 41.0973 GPRESSURE: 4356400 66.0119 -158.865 195.309 -90.8243 -315.903 191.486 127.11 -23.7642 81.2575 PRESSAVG: 4356400 -12.0737 42.6506 42.1799 42.6506 -26.3983 9.31001 42.1798 9.30996 16.471 GPRESSAVG: 4356400 -12.8075 42.0678 41.6847 43.2794 -26.3126 9.29305 41.5273 9.52739 16.9405 TIMING: 4356400 CPU: 12658.3, 0.00295048/step Wall: 12658.3, 0.00295048/step, 0.52748 hours remaining, 208.523438 MB of memory in use. ENERGY: 4356400 755.2440 2141.5092 1925.9112 106.1392 -206006.1953 17699.9522 0.0000 0.0000 34210.5466 -149166.8928 298.7692 -183377.4394 -149074.6529 299.4281 -90.1851 -56.2110 558338.9346 -7.3337 -7.3932 PRESSURE: 4356600 -112.037 -16.0534 -175.794 -16.0524 -122.665 65.4945 -175.794 65.4948 121.064 GPRESSURE: 4356600 -73.4097 6.03958 -88.6849 51.4185 -128.36 71.3647 -220.772 83.3338 162.178 PRESSAVG: 4356600 -26.4659 38.0858 7.21443 38.0859 -8.80573 6.60973 7.21439 6.60973 82.9854 GPRESSAVG: 4356600 -25.1819 36.6089 7.15341 37.5741 -9.91643 4.40022 6.93711 8.15142 82.0953 TIMING: 4356600 CPU: 12658.9, 0.00290677/step Wall: 12658.9, 0.00290677/step, 0.519505 hours remaining, 208.593750 MB of memory in use. ENERGY: 4356600 756.7258 2144.3136 1957.1132 118.4691 -205994.9833 17593.5226 0.0000 0.0000 34360.9169 -149063.9222 300.0824 -183424.8390 -148978.1294 299.5504 -37.8795 -13.1974 557789.1981 15.9046 15.6657 PRESSURE: 4356800 -22.5712 -31.9376 -100.235 -31.9362 457.734 65.3716 -100.234 65.3708 144.699 GPRESSURE: 4356800 2.01392 8.35391 -201.296 7.04809 565.833 71.8332 -102.529 86.2568 100.45 PRESSAVG: 4356800 -17.3731 13.256 -31.5434 13.256 57.1244 27.6514 -31.5435 27.6514 -9.67173 GPRESSAVG: 4356800 -18.2674 13.6559 -29.9087 14.4256 57.2877 26.9392 -33.0299 27.9212 -8.94059 TIMING: 4356800 CPU: 12659.4, 0.00291169/step Wall: 12659.4, 0.00291169/step, 0.520223 hours remaining, 208.593750 MB of memory in use. ENERGY: 4356800 767.5603 2067.3488 1994.5196 123.9587 -206239.4001 17902.5904 0.0000 0.0000 34423.2928 -148960.1296 300.6272 -183383.4224 -148861.8068 299.7287 193.2872 222.7658 556371.9676 10.0265 10.0266 PRESSURE: 4357000 87.8314 -83.8857 -84.0926 -83.8853 -90.8368 -137.486 -84.0921 -137.486 55.0275 GPRESSURE: 4357000 111.966 -57.9609 -47.2045 -129.347 -100.815 -106.643 -134.994 -79.7563 136.604 PRESSAVG: 4357000 45.0144 8.80423 -31.6317 8.80414 18.9892 -5.2899 -31.6317 -5.28982 -22.5773 GPRESSAVG: 4357000 45.7761 8.65853 -32.2938 8.69688 17.9516 -3.52514 -31.0824 -8.07673 -22.8383 TIMING: 4357000 CPU: 12660, 0.00290532/step Wall: 12660, 0.00290532/step, 0.518922 hours remaining, 208.593750 MB of memory in use. ENERGY: 4357000 742.2182 2066.3287 1972.4734 112.8978 -205871.8597 17797.6918 0.0000 0.0000 34280.7708 -148899.4790 299.3825 -183180.2498 -148800.3367 300.1221 17.3407 49.2516 557789.5240 13.8088 13.6298 PRESSURE: 4357200 -138.667 45.2986 -100.982 45.2982 28.7858 -57.0208 -100.981 -57.0209 137.839 GPRESSURE: 4357200 -116.445 122.128 -150.458 96.1917 57.0207 -119.6 -51.1526 -77.1845 175.045 PRESSAVG: 4357200 -8.6892 18.9454 21.3837 18.9455 -13.1549 21.5115 21.3836 21.5115 2.48162 GPRESSAVG: 4357200 -8.58687 20.0546 20.4131 18.5839 -11.9963 21.9311 22.5627 22.476 1.69566 TIMING: 4357200 CPU: 12660.6, 0.00289077/step Wall: 12660.6, 0.00289077/step, 0.516163 hours remaining, 208.796875 MB of memory in use. ENERGY: 4357200 780.1770 2063.9950 1986.1065 111.4928 -206065.6995 17951.6155 0.0000 0.0000 34304.8106 -148867.5022 299.5924 -183172.3128 -148766.2042 300.2778 9.3193 38.5402 557528.0970 -6.4542 -6.2958 PRESSURE: 4357400 98.0524 -61.8258 -82.3172 -61.8261 -92.8643 218.752 -82.3172 218.752 200.541 GPRESSURE: 4357400 145.889 -56.2707 -52.4743 -1.85064 -30.5712 374.544 -79.7329 158.263 191.434 PRESSAVG: 4357400 -32.7812 -5.27663 -22.4079 -5.27663 1.66999 8.54807 -22.408 8.54805 15.3117 GPRESSAVG: 4357400 -32.5605 -5.6727 -20.9492 -5.26164 1.40524 10.157 -21.4934 9.54062 15.151 TIMING: 4357400 CPU: 12661.2, 0.00288724/step Wall: 12661.2, 0.00288724/step, 0.515372 hours remaining, 208.796875 MB of memory in use. ENERGY: 4357400 767.2159 2086.1133 2000.8608 106.4896 -206505.6781 18177.2022 0.0000 0.0000 34677.5319 -148690.2645 302.8475 -183367.7964 -148585.9984 300.6372 68.5763 102.2506 558235.9061 -5.2665 -5.3347 PRESSURE: 4357600 -465.366 29.1842 -16.579 29.1839 -238.954 50.6631 -16.5776 50.6627 -71.901 GPRESSURE: 4357600 -411.679 56.7845 -75.7776 185.944 -202.285 46.3421 -84.1454 65.3451 -63.1596 PRESSAVG: 4357600 42.8423 2.10197 0.253241 2.10193 4.27279 -21.9969 0.253379 -21.9968 -2.30097 GPRESSAVG: 4357600 41.7365 1.06956 -0.640877 2.75316 4.59331 -23.3739 -1.04994 -21.9903 -2.1775 TIMING: 4357600 CPU: 12661.8, 0.0028881/step Wall: 12661.8, 0.0028881/step, 0.515365 hours remaining, 208.796875 MB of memory in use. ENERGY: 4357600 803.8910 2155.5165 1943.3448 123.0093 -205644.1716 17530.3891 0.0000 0.0000 34370.5738 -148717.4470 300.1668 -183088.0208 -148622.8451 300.7576 -258.7404 -225.7080 557569.1720 14.9380 14.7174 PRESSURE: 4357800 60.2715 24.3348 22.3856 24.3337 -96.4549 -38.8016 22.3857 -38.8024 214.673 GPRESSURE: 4357800 65.4173 -31.4647 -18.5358 132.606 -9.78459 -4.73985 24.7571 -26.0089 225.491 PRESSAVG: 4357800 -15.6318 0.386639 -11.2783 0.386574 38.0721 33.6856 -11.2783 33.6857 4.21155 GPRESSAVG: 4357800 -16.1128 0.701008 -12.7194 0.22327 38.6134 32.2658 -10.1308 34.2561 4.06821 TIMING: 4357800 CPU: 12662.3, 0.00288454/step Wall: 12662.3, 0.00288454/step, 0.51457 hours remaining, 208.796875 MB of memory in use. ENERGY: 4357800 754.2354 2111.1860 1943.7049 107.3961 -205835.1272 17828.2143 0.0000 0.0000 34306.3612 -148784.0293 299.6060 -183090.3905 -148693.1520 300.6815 59.4964 93.7080 556725.6497 8.8840 8.8563 PRESSURE: 4358000 -8.11665 19.1093 -41.3707 19.1092 157.027 -46.6815 -41.372 -46.6821 -44.6632 GPRESSURE: 4358000 -41.9349 41.7118 -24.0293 109.001 198.644 28.0249 -81.9863 -56.636 43.6664 PRESSAVG: 4358000 39.3548 37.2565 -15.3945 37.2564 26.9907 -30.1381 -15.3945 -30.1381 -9.90146 GPRESSAVG: 4358000 39.2043 37.4288 -12.6518 37.0318 25.5038 -28.7315 -16.6683 -30.0606 -8.48012 TIMING: 4358000 CPU: 12662.9, 0.00290106/step Wall: 12662.9, 0.00290106/step, 0.517355 hours remaining, 208.796875 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: 4358000 757.1442 2076.3477 1949.9685 121.8859 -206097.0442 17914.1424 0.0000 0.0000 34404.4914 -148873.0640 300.4630 -183277.5555 -148779.2105 299.7274 34.7490 66.7919 557530.7236 18.8147 18.7427 PRESSURE: 4358200 -282.398 -76.9358 -27.4901 -76.9354 -418.639 -59.3671 -27.4905 -59.3679 -487.333 GPRESSURE: 4358200 -220.644 -77.3206 -48.1723 -115.279 -387.073 -73.2911 35.0898 -99.9267 -480.521 PRESSAVG: 4358200 -9.90889 4.05055 -0.0370137 4.05059 -24.3308 -35.0294 -0.0370856 -35.0293 29.4803 GPRESSAVG: 4358200 -8.51842 4.52878 -0.575321 1.97925 -24.0866 -33.0943 0.496837 -37.294 27.4927 TIMING: 4358200 CPU: 12663.5, 0.00289893/step Wall: 12663.5, 0.00289893/step, 0.516814 hours remaining, 208.796875 MB of memory in use. ENERGY: 4358200 765.6595 2054.7256 1959.8579 107.3026 -205668.7026 17294.3160 0.0000 0.0000 34398.6636 -149088.1774 300.4121 -183486.8409 -148985.1588 299.6123 -396.1233 -362.7461 559252.6736 -1.5865 -1.7041 PRESSURE: 4358400 40.2856 2.43603 -42.2295 2.43549 68.5019 -170.431 -42.2299 -170.431 -47.1348 GPRESSURE: 4358400 131.226 -22.0724 -15.4915 45.765 4.29562 -236.31 -75.794 -160.944 12.9069 PRESSAVG: 4358400 -15.6433 -17.9203 11.9694 -17.9203 -37.8851 -12.9762 11.9694 -12.9761 28.4202 GPRESSAVG: 4358400 -16.9263 -19.275 12.293 -15.2321 -37.928 -16.3296 11.8222 -9.26971 29.6781 TIMING: 4358400 CPU: 12664.1, 0.00288709/step Wall: 12664.1, 0.00288709/step, 0.514543 hours remaining, 209.000000 MB of memory in use. ENERGY: 4358400 782.2721 2143.3946 1951.4031 106.5789 -206252.6589 17840.3512 0.0000 0.0000 34351.2989 -149077.3599 299.9984 -183428.6588 -148983.3318 300.0098 20.5509 49.4763 558103.7336 -8.3694 -8.3921 PRESSURE: 4358600 -190.483 -229.899 -40.7136 -229.899 -243.58 -10.9208 -40.7143 -10.9222 -217.968 GPRESSURE: 4358600 -156.325 -130.584 -88.7623 -257.537 -192.928 -2.06694 3.79722 28.2873 -201.333 PRESSAVG: 4358600 4.64004 29.3254 -12.4341 29.3254 -54.1846 16.0763 -12.4342 16.0762 67.7789 GPRESSAVG: 4358600 6.78587 30.3755 -14.1611 27.9018 -53.6198 17.2871 -11.6105 15.3287 65.8306 TIMING: 4358600 CPU: 12664.7, 0.00289311/step Wall: 12664.7, 0.00289311/step, 0.515455 hours remaining, 209.000000 MB of memory in use. ENERGY: 4358600 772.7664 2099.1819 1942.2224 117.5513 -205972.6608 17533.5770 0.0000 0.0000 34386.4924 -149120.8693 300.3058 -183507.3618 -149024.3350 299.7574 -217.3435 -183.5288 558783.5129 6.0781 6.3322 PRESSURE: 4358800 75.989 -113.598 -115.118 -113.599 32.743 28.8088 -115.118 28.807 -86.3429 GPRESSURE: 4358800 132.335 -211.941 -162.306 -102.178 66.7599 70.1088 -83.8366 -20.4191 -94.6793 PRESSAVG: 4358800 27.1089 -42.1233 -1.20794 -42.1233 -30.5139 -16.3267 -1.20801 -16.3269 1.76358 GPRESSAVG: 4358800 26.781 -44.7082 2.14678 -40.0418 -31.9567 -15.9054 -3.49843 -16.8561 3.23003 TIMING: 4358800 CPU: 12665.2, 0.00288163/step Wall: 12665.2, 0.00288163/step, 0.513251 hours remaining, 209.000000 MB of memory in use. ENERGY: 4358800 734.8744 2130.9040 1918.0324 115.4117 -205969.1651 17824.5994 0.0000 0.0000 34142.7439 -149102.5994 298.1771 -183245.3433 -148996.7068 300.1795 7.4631 34.8053 558330.2975 -0.5471 -0.6486 PRESSURE: 4359000 111.571 -18.6161 57.3648 -18.6161 36.6787 43.4852 57.3655 43.4852 197.712 GPRESSURE: 4359000 113.779 -54.0344 36.2124 -20.4731 17.0396 26.8542 89.0915 -26.1179 301.496 PRESSAVG: 4359000 100.362 -26.6884 -5.04914 -26.6885 -15.3042 -12.2762 -5.04923 -12.2761 -51.5683 GPRESSAVG: 4359000 99.4048 -25.8927 -6.82322 -27.7741 -15.6151 -12.8154 -3.0247 -12.1503 -50.2137 TIMING: 4359000 CPU: 12665.8, 0.00288765/step Wall: 12665.8, 0.00288765/step, 0.514163 hours remaining, 209.000000 MB of memory in use. ENERGY: 4359000 728.1776 2087.6199 1964.2540 109.0554 -206319.5842 17951.1793 0.0000 0.0000 34333.2492 -149146.0488 299.8408 -183479.2979 -149049.7571 299.5620 115.3208 144.1047 555447.2586 11.1633 11.1920 PRESSURE: 4359200 4.66942 -34.3599 -12.6208 -34.3593 -143.401 -73.4716 -12.6198 -73.4719 -250.777 GPRESSURE: 4359200 71.7949 -84.4064 -7.68894 -42.1755 -123.659 -44.5834 54.4214 -117.446 -231.964 PRESSAVG: 4359200 1.13903 22.171 39.6657 22.171 84.8836 40.9932 39.6657 40.9932 -57.5912 GPRESSAVG: 4359200 1.06837 23.6998 37.9812 20.8148 86.6509 42.0119 39.8589 40.1225 -59.1715 TIMING: 4359200 CPU: 12666.4, 0.00288643/step Wall: 12666.4, 0.00288643/step, 0.513785 hours remaining, 209.000000 MB of memory in use. ENERGY: 4359200 747.6937 2154.9103 1952.7507 113.1111 -205853.0454 17608.2905 0.0000 0.0000 33932.3335 -149343.9555 296.3395 -183276.2891 -149250.4600 298.9560 -129.8363 -94.6093 558653.1272 9.4771 9.5159 PRESSURE: 4359400 -52.5674 -152.401 12.7503 -152.401 287.872 -43.9507 12.7509 -43.9497 134.754 GPRESSURE: 4359400 -55.4862 -214.77 1.62553 -98.198 289.159 -95.9303 21.149 -25.3102 231.841 PRESSAVG: 4359400 9.31045 -71.2748 26.9231 -71.2748 37.8778 7.90215 26.9231 7.90207 -8.62593 GPRESSAVG: 4359400 9.15483 -71.9115 28.3046 -70.2158 37.3819 7.08636 27.2085 7.97599 -7.57041 TIMING: 4359400 CPU: 12667, 0.00290467/step Wall: 12667, 0.00290467/step, 0.51687 hours remaining, 209.000000 MB of memory in use. ENERGY: 4359400 750.0137 2123.7531 1946.6948 110.4467 -206689.6441 18062.4622 0.0000 0.0000 34129.7801 -149566.4936 298.0639 -183696.2737 -149468.3228 298.7572 123.3531 155.1714 556809.6514 12.8541 12.9888 PRESSURE: 4359600 -87.6531 -88.6792 23.9818 -88.6785 161.725 -54.0527 23.982 -54.0507 -56.1371 GPRESSURE: 4359600 -17.1864 -76.6678 -84.3681 -147.274 114.474 -20.8091 44.2811 -30.0183 8.19269 PRESSAVG: 4359600 10.0407 -33.3903 -4.87027 -33.3904 56.1347 -33.013 -4.87022 -33.0129 -45.2387 GPRESSAVG: 4359600 11.1548 -33.7543 -4.54763 -33.8629 56.3935 -33.8588 -5.42693 -29.9508 -46.2918 TIMING: 4359600 CPU: 12667.5, 0.00287547/step Wall: 12667.5, 0.00287547/step, 0.511514 hours remaining, 209.000000 MB of memory in use. ENERGY: 4359600 718.2486 2085.3445 1929.9426 107.3286 -206544.0208 17866.7697 0.0000 0.0000 34066.5761 -149769.8106 297.5119 -183836.3868 -149665.9733 297.4240 5.9782 35.1602 557593.4829 6.9789 7.0855 PRESSURE: 4359800 -84.2298 -42.4211 -33.6066 -42.4203 -46.4245 -51.5405 -33.6076 -51.5424 -104.529 GPRESSURE: 4359800 -32.1885 -16.8466 -70.0034 -90.5433 -38.1007 -22.6429 81.6086 -40.5366 -64.1974 PRESSAVG: 4359800 -17.3112 14.9064 7.85765 14.9064 51.2357 -2.89295 7.85765 -2.89309 -35.2351 GPRESSAVG: 4359800 -17.4979 14.415 7.05337 14.9815 50.4611 -0.627315 8.7774 -6.83468 -34.1591 TIMING: 4359800 CPU: 12668.1, 0.00288223/step Wall: 12668.1, 0.00288223/step, 0.512557 hours remaining, 209.000000 MB of memory in use. ENERGY: 4359800 747.5069 2103.7793 1934.0230 102.9760 -206488.6613 17879.2397 0.0000 0.0000 34093.1032 -149628.0332 297.7435 -183721.1364 -149536.1941 297.6366 -78.3946 -44.8289 558135.7384 -0.4369 -0.3986 PRESSURE: 4360000 -148.339 -99.339 -150.521 -99.3393 112.735 -67.4562 -150.522 -67.4553 27.0666 GPRESSURE: 4360000 -114.759 -73.3207 -156.852 -70.8134 123.033 -136.514 -124.884 -65.834 78.8651 PRESSAVG: 4360000 -27.5866 36.1432 -58.3276 36.1432 14.8626 -18.0746 -58.3276 -18.0746 24.1087 GPRESSAVG: 4360000 -27.9992 36.5783 -59.4904 36.4511 15.8957 -20.3174 -58.3952 -16.7945 23.4808 TIMING: 4360000 CPU: 12668.7, 0.00290368/step Wall: 12668.7, 0.00290368/step, 0.516209 hours remaining, 209.000000 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: 4360000 741.5599 2047.6940 1927.0898 107.3670 -206570.0788 18023.4937 0.0000 0.0000 34008.5917 -149714.2827 297.0055 -183722.8744 -149619.9290 297.3586 -2.8457 29.0463 558059.0040 3.7949 3.7925 PRESSURE: 4360200 -149.365 113.908 -22.8601 113.908 48.6992 74.4293 -22.8617 74.4294 -201.083 GPRESSURE: 4360200 -94.1988 59.8857 8.06661 175.151 75.7535 138.653 54.9138 55.4076 -181.791 PRESSAVG: 4360200 -15.6639 0.625414 -3.60555 0.625397 -23.1501 11.9237 -3.60552 11.9237 46.121 GPRESSAVG: 4360200 -13.9643 -0.0897707 -3.49152 0.388306 -24.2196 11.5431 -3.47115 12.9792 46.2526 TIMING: 4360200 CPU: 12669.3, 0.00290563/step Wall: 12669.3, 0.00290563/step, 0.516395 hours remaining, 209.000000 MB of memory in use. ENERGY: 4360200 779.0917 2140.3264 1918.8983 108.3699 -206417.9344 17798.4660 0.0000 0.0000 34034.0984 -149638.6837 297.2282 -183672.7822 -149542.2089 298.0628 -100.5831 -66.7453 557932.6022 2.4356 2.6896 LDB: ============= START OF LOAD BALANCING ============== 12672.7 LDB: ============== END OF LOAD BALANCING =============== 12672.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12672.7 LDB: ============= START OF LOAD BALANCING ============== 12673 LDB: Largest compute 4848 load 0.025351 is 21.5% of average load 0.117809 LDB: Average compute 0.001739 is 1.5% of average load 0.117809 LDB: TIME 12673 LOAD: AVG 0.117809 MAX 0.180197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 12673 LOAD: AVG 0.117809 MAX 0.180197 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: TIME 12673 LOAD: AVG 0.117809 MAX 0.180197 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12673 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12673 PRESSURE: 4360400 101.648 38.7734 -69.6588 38.7739 122.117 64.8867 -69.6586 64.8882 -125.632 GPRESSURE: 4360400 106.971 77.9028 -2.46734 67.131 160.89 72.4988 -78.4486 -12.2661 -73.9283 PRESSAVG: 4360400 25.674 89.5937 1.63893 89.5935 -33.0584 -22.8493 1.63895 -22.8493 10.0614 GPRESSAVG: 4360400 24.8628 89.4218 0.934989 89.1946 -31.2811 -21.4421 2.34544 -24.4701 8.95499 TIMING: 4360400 CPU: 12669.9, 0.00296984/step Wall: 12669.9, 0.00296984/step, 0.527642 hours remaining, 206.343750 MB of memory in use. ENERGY: 4360400 697.1778 2074.9134 1956.6662 101.8209 -206910.7173 18104.7638 0.0000 0.0000 34354.4203 -149620.9549 300.0257 -183975.3752 -149526.4047 298.2722 32.7113 64.6443 557774.6880 0.8923 0.8456 PRESSURE: 4360600 -122.579 157.292 -110.167 157.291 -172.724 -205.492 -110.166 -205.49 -275.36 GPRESSURE: 4360600 -97.5138 249.837 -241.834 90.5821 -163.174 -266.604 -54.8778 -194.485 -223.276 PRESSAVG: 4360600 19.9641 60.7287 15.9936 60.7286 -85.2389 -8.09116 15.9935 -8.09108 70.3269 GPRESSAVG: 4360600 19.3368 60.8986 17.4801 61.5258 -85.5659 -7.26793 15.1668 -7.03734 70.8595 TIMING: 4360600 CPU: 12670.5, 0.0028959/step Wall: 12670.5, 0.0028959/step, 0.514344 hours remaining, 206.546875 MB of memory in use. ENERGY: 4360600 782.0502 2140.8104 1972.4062 117.3969 -206829.8189 17980.7059 0.0000 0.0000 34319.1790 -149517.2702 299.7179 -183836.4492 -149416.3963 298.6631 -190.2211 -161.3212 559020.7348 1.6840 1.5434 PRESSURE: 4360800 195.568 23.066 12.1325 23.0668 209.337 -26.1686 12.1318 -26.1687 166.281 GPRESSURE: 4360800 218.359 -20.3771 23.2002 73.7226 239.092 -28.2994 22.0357 -87.2938 204.212 PRESSAVG: 4360800 -63.8806 18.1639 6.28657 18.1639 -5.96113 1.72877 6.2865 1.72869 50.0062 GPRESSAVG: 4360800 -63.0248 20.9756 6.52732 17.1593 -6.47495 0.850495 5.18384 1.90152 49.306 TIMING: 4360800 CPU: 12671, 0.00289657/step Wall: 12671, 0.00289657/step, 0.514303 hours remaining, 206.546875 MB of memory in use. ENERGY: 4360800 751.3969 2070.3648 1943.6291 115.5411 -206907.6107 18039.6916 0.0000 0.0000 34476.1966 -149510.7905 301.0892 -183986.9872 -149413.2448 299.1759 190.3957 220.5545 556805.9316 -6.6118 -6.7312 PRESSURE: 4361000 -157.627 92.842 52.5676 92.843 207.022 189.796 52.5673 189.796 -150.321 GPRESSURE: 4361000 -177.179 45.1628 115.857 89.0083 256.046 117.027 -22.5916 183.945 -77.2161 PRESSAVG: 4361000 11.3507 51.3229 -34.7672 51.3228 -8.66254 33.2637 -34.7672 33.2636 -10.9257 GPRESSAVG: 4361000 10.073 49.3128 -37.6417 51.8653 -9.85737 33.2886 -32.3354 32.0604 -8.81637 TIMING: 4361000 CPU: 12671.6, 0.00290943/step Wall: 12671.6, 0.00290943/step, 0.516423 hours remaining, 206.546875 MB of memory in use. ENERGY: 4361000 746.4567 2078.6749 1964.1214 117.3509 -206069.6158 17772.7755 0.0000 0.0000 34136.5202 -149253.7161 298.1227 -183390.2363 -149158.4935 299.1964 -33.6422 0.5504 557798.6518 -2.7459 -2.8669 PRESSURE: 4361200 -27.3684 90.7782 62.1402 90.7772 204.164 71.5036 62.1416 71.5032 -319.881 GPRESSURE: 4361200 12.0391 82.1982 43.4356 168.738 221.344 115.939 33.3779 127.542 -271.043 PRESSAVG: 4361200 44.1475 76.1187 19.6696 76.1186 44.9832 16.9588 19.6697 16.9588 -62.3292 GPRESSAVG: 4361200 44.5289 76.2831 21.5898 77.3204 44.9769 19.1901 18.5281 16.9328 -62.7206 TIMING: 4361200 CPU: 12672.2, 0.00290362/step Wall: 12672.2, 0.00290362/step, 0.515232 hours remaining, 206.546875 MB of memory in use. ENERGY: 4361200 753.7478 2128.8648 1932.7685 101.4070 -205855.5316 17665.9500 0.0000 0.0000 34095.5767 -149177.2168 297.7652 -183272.7935 -149077.0873 299.6237 -47.6951 -12.5531 556717.3988 8.9338 8.9284 PRESSURE: 4361400 74.6748 -169.604 -2.53415 -169.602 -119.192 40.1976 -2.5351 40.196 -118.598 GPRESSURE: 4361400 93.9764 -102.207 -129.354 -181.762 -47.2465 83.2778 24.5271 76.6771 -107.776 PRESSAVG: 4361400 19.5617 19.3908 3.03162 19.3908 -12.9718 31.1114 3.03163 31.1115 16.0853 GPRESSAVG: 4361400 19.5306 20.3751 3.21274 18.8161 -12.3226 30.4454 3.5757 31.3241 15.0754 TIMING: 4361400 CPU: 12672.8, 0.00290237/step Wall: 12672.8, 0.00290237/step, 0.514848 hours remaining, 206.546875 MB of memory in use. ENERGY: 4361400 758.4989 2085.8721 1937.6286 112.7518 -206019.2672 17640.8119 0.0000 0.0000 34208.8766 -149274.8273 298.7546 -183483.7039 -149172.6443 299.0136 -54.3719 -20.3486 555846.7700 7.5584 7.4278 PRESSURE: 4361600 45.5503 11.2051 -60.4951 11.2055 101.207 133.084 -60.4937 133.087 57.6346 GPRESSURE: 4361600 67.2207 84.396 -110.521 42.7663 192.53 134.417 -55.2739 158.945 49.3047 PRESSAVG: 4361600 6.47876 -23.3249 -20.2089 -23.3248 19.4554 -10.3648 -20.2088 -10.3648 -14.0541 GPRESSAVG: 4361600 5.72337 -25.9316 -20.443 -23.3233 20.147 -12.6186 -20.1424 -10.0957 -14.2898 TIMING: 4361600 CPU: 12673.4, 0.00291443/step Wall: 12673.4, 0.00291443/step, 0.516826 hours remaining, 206.546875 MB of memory in use. ENERGY: 4361600 733.6180 2093.5454 1944.5105 106.2521 -206360.0380 17961.5604 0.0000 0.0000 34488.5421 -149032.0095 301.1970 -183520.5516 -148931.8229 299.7242 68.1305 103.0183 556175.5228 3.9600 3.8602 PRESSURE: 4361800 -66.9625 -82.8566 -278.725 -82.8571 -55.4939 -50.3495 -278.724 -50.3492 -24.5093 GPRESSURE: 4361800 -14.8474 -114.977 -303.314 -36.469 -41.0281 91.2103 -222.691 -53.9512 15.5394 PRESSAVG: 4361800 8.63589 -27.5534 -37.3132 -27.5533 -32.391 18.002 -37.3131 18.0019 -4.50319 GPRESSAVG: 4361800 9.30367 -25.7882 -37.9758 -28.3686 -34.4011 20.248 -37.5199 17.89 -3.43995 TIMING: 4361800 CPU: 12673.9, 0.00289871/step Wall: 12673.9, 0.00289871/step, 0.513877 hours remaining, 206.546875 MB of memory in use. ENERGY: 4361800 750.9897 2103.2657 1943.6891 115.7823 -206029.7075 17812.7461 0.0000 0.0000 34383.5282 -148919.7064 300.2799 -183303.2346 -148829.5773 299.9730 -48.9886 -13.4453 558019.8934 -9.4194 -9.5125 PRESSURE: 4362000 196.775 29.8875 -66.5569 29.888 221.812 8.54447 -66.5578 8.54402 -161.19 GPRESSURE: 4362000 258.331 74.1168 -127.482 -44.6662 226.669 91.2045 -43.2684 -21.2118 -142.813 PRESSAVG: 4362000 16.6645 4.04195 -41.519 4.0419 63.5627 35.543 -41.5189 35.543 -78.3039 GPRESSAVG: 4362000 16.9607 3.41559 -41.6728 5.84612 65.2941 33.0988 -41.2835 35.8457 -79.7616 TIMING: 4362000 CPU: 12674.5, 0.00288891/step Wall: 12674.5, 0.00288891/step, 0.511979 hours remaining, 206.546875 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: 4362000 728.3423 2114.2111 1950.5038 117.5984 -206208.9446 17909.8371 0.0000 0.0000 34524.4343 -148864.0177 301.5105 -183388.4520 -148771.7685 299.7240 85.7991 114.0624 557484.0733 0.6411 0.8311 PRESSURE: 4362200 -169.548 80.6818 117.926 80.6824 -81.8433 52.2539 117.926 52.255 -255.987 GPRESSURE: 4362200 -96.1699 3.83315 156.933 180.751 -90.5073 74.7126 90.0064 24.6589 -220.123 PRESSAVG: 4362200 48.8844 -13.5749 -23.5213 -13.5749 28.5622 65.5026 -23.5213 65.5026 -58.635 GPRESSAVG: 4362200 48.5952 -14.5221 -24.1353 -13.1779 26.9437 65.9285 -24.5242 65.4398 -57.0777 TIMING: 4362200 CPU: 12675.1, 0.00292529/step Wall: 12675.1, 0.00292529/step, 0.518263 hours remaining, 206.546875 MB of memory in use. ENERGY: 4362200 695.4847 2205.2451 1954.9930 114.3801 -205709.7606 17596.4364 0.0000 0.0000 34320.4993 -148822.7220 299.7295 -183143.2213 -148724.6616 300.5860 -169.1258 -135.6000 559512.6789 6.2705 6.1537 PRESSURE: 4362400 -257.571 22.6778 -7.86988 22.6786 -134.914 216.531 -7.87 216.53 -396.972 GPRESSURE: 4362400 -227.243 26.509 -37.1509 1.02038 -147.255 61.1129 51.0219 276.309 -314.495 PRESSAVG: 4362400 51.1494 6.66117 -4.58432 6.6612 -9.03997 75.1725 -4.58437 75.1725 -51.4315 GPRESSAVG: 4362400 50.543 7.53064 -4.05898 6.41621 -8.7403 74.2398 -2.50443 77.4655 -50.7891 TIMING: 4362400 CPU: 12675.7, 0.00288389/step Wall: 12675.7, 0.00288389/step, 0.510768 hours remaining, 206.546875 MB of memory in use. ENERGY: 4362400 737.9586 2141.2084 1933.9792 116.6167 -205619.8070 17565.1645 0.0000 0.0000 34246.9517 -148877.9279 299.0871 -183124.8796 -148779.4038 300.6737 -263.1526 -229.6644 559994.2973 -3.1074 -2.9954 PRESSURE: 4362600 134.964 72.6401 -128.563 72.6401 -108.163 -73.2372 -128.563 -73.2369 88.511 GPRESSURE: 4362600 172.545 35.9985 -77.3241 0.370901 -21.5279 -53.5534 -153.329 -98.3829 74.1131 PRESSAVG: 4362600 32.9518 6.07222 25.4565 6.07211 21.5387 39.8804 25.4564 39.8804 -51.8277 GPRESSAVG: 4362600 33.4304 7.79729 26.9785 2.66037 22.0454 40.3581 23.3193 38.0246 -52.4442 TIMING: 4362600 CPU: 12676.3, 0.00289424/step Wall: 12676.3, 0.00289424/step, 0.512441 hours remaining, 206.546875 MB of memory in use. ENERGY: 4362600 729.8435 2112.2414 1925.4042 111.3850 -206018.1941 17844.7352 0.0000 0.0000 34407.5031 -148887.0818 300.4893 -183294.5849 -148788.3555 300.1430 38.4375 75.0434 557236.8582 0.8876 1.0106 PRESSURE: 4362800 299.651 -45.3862 10.9826 -45.3851 -38.3961 -28.8752 10.9819 -28.8748 63.7706 GPRESSURE: 4362800 290.308 -66.0314 32.9479 -49.8736 61.9327 74.7968 -15.1425 -24.8368 76.3356 PRESSAVG: 4362800 8.22974 17.0711 -31.4972 17.0711 -23.9176 -17.0521 -31.4972 -17.0522 19.9172 GPRESSAVG: 4362800 8.90541 16.9036 -33.0371 20.0963 -24.5636 -18.1354 -30.0695 -15.3876 20.4284 TIMING: 4362800 CPU: 12676.8, 0.00290408/step Wall: 12676.8, 0.00290408/step, 0.514022 hours remaining, 206.546875 MB of memory in use. ENERGY: 4362800 685.5731 2084.1435 1956.2534 117.3211 -206019.3050 17844.2061 0.0000 0.0000 34439.4700 -148892.3379 300.7685 -183331.8079 -148794.9987 300.0405 108.3417 142.8589 557019.3928 1.4098 1.5901 PRESSURE: 4363000 -181.373 41.0382 -40.1091 41.039 -301.426 -129.182 -40.1083 -129.184 -356.535 GPRESSURE: 4363000 -118.237 91.1835 -106.766 41.8073 -334.674 -103.945 14.4827 -115.243 -275.492 PRESSAVG: 4363000 8.65966 -8.59449 -13.5321 -8.5946 52.3188 5.32474 -13.5321 5.32458 -54.0655 GPRESSAVG: 4363000 9.39668 -10.4384 -11.9834 -8.2003 52.2841 5.55585 -13.9344 4.20651 -54.9533 TIMING: 4363000 CPU: 12677.4, 0.00291695/step Wall: 12677.4, 0.00291695/step, 0.516138 hours remaining, 206.546875 MB of memory in use. ENERGY: 4363000 742.6067 2074.9354 1934.9317 107.3059 -205353.5688 17346.2573 0.0000 0.0000 34227.1412 -148920.3905 298.9141 -183147.5317 -148820.2738 300.8899 -279.7781 -242.8014 559149.4879 2.3043 2.2425 PRESSURE: 4363200 -213.481 -57.7835 -12.5405 -57.7838 -165.713 -83.3612 -12.5405 -83.3616 -42.7554 GPRESSURE: 4363200 -146.731 -103.429 -80.1865 15.2643 -104.882 -97.3992 -61.5106 -34.8254 -65.4666 PRESSAVG: 4363200 -1.27439 2.24916 -33.469 2.24919 -36.3717 2.5624 -33.469 2.56247 27.5473 GPRESSAVG: 4363200 -3.2646 3.37707 -32.7407 1.79456 -34.3455 3.60766 -35.4068 1.58204 27.5726 TIMING: 4363200 CPU: 12678, 0.00290439/step Wall: 12678, 0.00290439/step, 0.513754 hours remaining, 206.546875 MB of memory in use. ENERGY: 4363200 770.3150 2112.6879 1939.1554 115.4432 -205795.2753 17660.5580 0.0000 0.0000 34297.1272 -148899.9885 299.5253 -183197.1157 -148812.9339 300.2127 -140.6499 -105.6932 557730.0446 -3.3663 -3.3458 PRESSURE: 4363400 -224.923 147.757 -173.47 147.756 -109.274 63.858 -173.47 63.8589 -173.598 GPRESSURE: 4363400 -187.839 117.671 -193.383 203.837 -92.987 38.3011 -227.087 40.4129 -135.513 PRESSAVG: 4363400 10.2065 21.5219 4.2041 21.5219 31.0059 15.0192 4.20406 15.0192 14.7771 GPRESSAVG: 4363400 11.5759 21.1798 3.56062 22.0741 28.4452 15.7886 4.1811 14.887 16.25 TIMING: 4363400 CPU: 12678.6, 0.00289092/step Wall: 12678.6, 0.00289092/step, 0.511212 hours remaining, 206.546875 MB of memory in use. ENERGY: 4363400 751.0649 2180.0129 1937.7019 103.5898 -205895.6178 17744.8049 0.0000 0.0000 34225.3507 -148953.0928 298.8985 -183178.4434 -148850.1922 300.4171 -169.2650 -138.7796 558542.8512 18.6632 18.7570 PRESSURE: 4363600 -173.623 94.2939 78.855 94.2931 59.0138 6.53033 78.8559 6.53191 -41.4412 GPRESSURE: 4363600 -84.0197 12.7842 140.023 95.1843 120.336 38.8542 92.2248 65.5554 -92.5123 PRESSAVG: 4363600 -84.4911 45.7264 -15.0042 45.7265 61.2272 19.3641 -15.0042 19.3641 -36.4786 GPRESSAVG: 4363600 -84.4502 45.9587 -16.8596 45.0667 63.0248 18.1801 -14.9353 19.6855 -37.6627 TIMING: 4363600 CPU: 12679.2, 0.00287053/step Wall: 12679.2, 0.00287053/step, 0.507446 hours remaining, 206.546875 MB of memory in use. ENERGY: 4363600 784.8345 2162.5071 1921.5130 105.3982 -206136.8829 17812.5659 0.0000 0.0000 34436.5181 -148913.5460 300.7427 -183350.0641 -148815.6016 299.6386 -52.0166 -18.7321 558020.7925 -19.9142 -19.6960 PRESSURE: 4363800 186.592 -73.7541 160.217 -73.7545 -567.234 35.2155 160.216 35.216 -411.097 GPRESSURE: 4363800 157.122 -31.1773 220.599 -128.797 -497.271 50.0446 70.0684 58.8752 -365.131 PRESSAVG: 4363800 -28.5531 40.9897 10.5145 40.9896 91.3649 34.5277 10.5145 34.5277 -12.5596 GPRESSAVG: 4363800 -28.4694 41.9496 12.0059 42.5205 91.6094 35.2933 11.5975 35.3292 -12.6865 TIMING: 4363800 CPU: 12679.7, 0.0029022/step Wall: 12679.7, 0.0029022/step, 0.512882 hours remaining, 206.546875 MB of memory in use. ENERGY: 4363800 800.4599 2109.3591 1943.4336 122.7306 -205648.1311 17522.4172 0.0000 0.0000 34045.6326 -149104.0981 297.3290 -183149.7307 -148999.7442 299.9955 -263.9128 -235.0937 560009.6062 16.7507 16.8178 PRESSURE: 4364000 -2.46274 -121.756 -71.1876 -121.756 179.377 -97.1166 -71.1877 -97.116 -102.95 GPRESSURE: 4364000 46.3046 -57.5907 -170.732 -134.572 173.443 -63.3469 -29.8354 -111.82 -54.4896 PRESSAVG: 4364000 -22.1381 -45.5447 -2.1846 -45.5447 -15.3104 -32.2333 -2.18453 -32.2334 -5.66274 GPRESSAVG: 4364000 -21.8959 -44.0511 -2.89326 -45.7085 -15.451 -32.3838 -1.92502 -31.6517 -5.22919 TIMING: 4364000 CPU: 12680.3, 0.00289395/step Wall: 12680.3, 0.00289395/step, 0.511264 hours remaining, 206.546875 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: 4364000 796.6426 2147.9810 1947.2311 97.7904 -206095.5508 17840.8932 0.0000 0.0000 34278.6752 -148986.3373 299.3642 -183265.0125 -148896.2524 299.5698 24.6548 55.0862 558393.3029 -14.3704 -14.1920 PRESSURE: 4364200 368.032 36.2222 -146.189 36.2205 166.068 69.1195 -146.19 69.1198 312.076 GPRESSURE: 4364200 424.01 12.7562 -212.835 85.0082 196.435 108.624 -109.862 16.7315 319.492 PRESSAVG: 4364200 28.3014 24.9042 -13.5557 24.9042 -24.119 27.7759 -13.5558 27.776 -7.91695 GPRESSAVG: 4364200 27.8871 24.1532 -10.8146 23.9659 -23.9637 30.142 -15.2705 25.1456 -7.73499 TIMING: 4364200 CPU: 12680.9, 0.00290081/step Wall: 12680.9, 0.00290081/step, 0.512315 hours remaining, 206.546875 MB of memory in use. ENERGY: 4364200 764.5558 2136.3536 1907.6236 113.3541 -206819.4442 18411.3151 0.0000 0.0000 34559.9661 -148926.2759 301.8208 -183486.2421 -148827.9746 301.2581 282.0588 313.3124 559341.1146 -1.2449 -1.2705 LDB: ============= START OF LOAD BALANCING ============== 12684.4 LDB: ============== END OF LOAD BALANCING =============== 12684.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12684.4 LDB: ============= START OF LOAD BALANCING ============== 12684.7 LDB: Largest compute 4848 load 0.024582 is 20.9% of average load 0.117769 LDB: Average compute 0.001740 is 1.5% of average load 0.117769 LDB: TIME 12684.7 LOAD: AVG 0.117769 MAX 0.180127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.602 MB LDB: TIME 12684.7 LOAD: AVG 0.117769 MAX 0.180127 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: TIME 12684.7 LOAD: AVG 0.117769 MAX 0.180127 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.664 MB LDB: ============== END OF LOAD BALANCING =============== 12684.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12684.7 PRESSURE: 4364400 171.716 104.062 81.3765 104.062 -141.532 -142.165 81.3761 -142.166 211.543 GPRESSURE: 4364400 185.568 35.5935 139.454 44.2609 -111.67 -167.603 102.537 -38.4043 265.757 PRESSAVG: 4364400 26.3555 57.3327 -16.752 57.3328 7.46965 -32.685 -16.7521 -32.6849 -34.3276 GPRESSAVG: 4364400 27.5554 55.4353 -16.6813 56.71 8.20051 -33.1015 -14.7089 -32.5566 -35.4672 TIMING: 4364400 CPU: 12681.5, 0.00296465/step Wall: 12681.5, 0.00296465/step, 0.523425 hours remaining, 207.414062 MB of memory in use. ENERGY: 4364400 766.6865 2145.8018 1942.6979 118.7154 -206244.1976 18116.2687 0.0000 0.0000 34212.8650 -148941.1623 298.7895 -183154.0273 -148845.3719 300.1987 80.5754 113.2181 559345.5900 -0.1675 0.0962 PRESSURE: 4364600 -117.625 -84.778 -185.67 -84.7793 280.02 187.195 -185.67 187.196 -147.764 GPRESSURE: 4364600 -50.3726 -90.3118 -144.303 -68.239 332.42 154.023 -159.7 242.106 -177.85 PRESSAVG: 4364600 -14.6134 -25.1629 -19.2011 -25.1629 77.5812 -43.6644 -19.2011 -43.6645 -55.3889 GPRESSAVG: 4364600 -15.1886 -25.4114 -22.1181 -23.3543 77.3119 -44.5398 -19.9428 -43.0522 -54.1094 TIMING: 4364600 CPU: 12682.1, 0.0029027/step Wall: 12682.1, 0.0029027/step, 0.512326 hours remaining, 207.761719 MB of memory in use. ENERGY: 4364600 776.7870 2101.4947 1953.3071 98.8766 -205842.5603 17947.1021 0.0000 0.0000 34254.9746 -148710.0184 299.1572 -182964.9930 -148608.2648 300.1085 4.8766 34.7324 559715.8391 2.5263 2.6713 PRESSURE: 4364800 -83.9137 70.2882 52.2211 70.2883 -214.854 -37.1382 52.2212 -37.1375 0.315524 GPRESSURE: 4364800 -84.6838 26.8207 45.2998 143.449 -165.926 35.1801 26.4585 -133.258 47.0939 PRESSAVG: 4364800 -13.1181 2.60176 27.8074 2.60166 59.7278 21.8616 27.8074 21.8616 -30.2315 GPRESSAVG: 4364800 -12.9946 5.11981 30.2347 2.96257 60.1033 20.884 27.9945 23.1984 -30.3063 TIMING: 4364800 CPU: 12682.6, 0.00289519/step Wall: 12682.6, 0.00289519/step, 0.510841 hours remaining, 207.761719 MB of memory in use. ENERGY: 4364800 748.4350 2134.3957 1929.4669 99.6748 -205899.4644 17665.0618 0.0000 0.0000 34480.8006 -148841.6297 301.1294 -183322.4303 -148741.3025 299.9463 -99.4842 -67.8388 559413.6407 5.4594 5.6008 PRESSURE: 4365000 129.172 -15.388 -114.053 -15.3893 -172.714 123.288 -114.053 123.287 -35.1733 GPRESSURE: 4365000 135.454 8.48395 -78.1247 -25.4342 -166.854 126.157 -131.432 79.2191 44.2407 PRESSAVG: 4365000 27.2298 -13.1638 -68.8078 -13.1639 9.90027 23.8035 -68.8079 23.8036 -53.193 GPRESSAVG: 4365000 27.0597 -15.0224 -67.7059 -15.3929 10.2182 25.2834 -69.5196 20.4209 -53.9223 TIMING: 4365000 CPU: 12683.2, 0.00289406/step Wall: 12683.2, 0.00289406/step, 0.510479 hours remaining, 207.761719 MB of memory in use. ENERGY: 4365000 768.9637 2102.7146 1936.4388 110.2845 -205911.7324 17701.6203 0.0000 0.0000 34294.3666 -148997.3439 299.5012 -183291.7105 -148898.3787 299.8100 -26.2384 4.2801 557896.3880 -5.3543 -5.5482 PRESSURE: 4365200 -185.304 20.3024 -61.7752 20.3029 38.2404 64.4401 -61.7755 64.4405 -300.144 GPRESSURE: 4365200 -136.1 54.0224 -24.0935 27.2598 59.6673 43.6769 5.88701 76.3396 -272.782 PRESSAVG: 4365200 19.892 29.8578 -29.0789 29.8578 4.27734 0.334969 -29.0788 0.334852 -49.3398 GPRESSAVG: 4365200 20.7392 30.7662 -29.6349 30.9242 3.27994 -1.57375 -27.5402 1.89389 -49.0639 TIMING: 4365200 CPU: 12683.8, 0.00288436/step Wall: 12683.8, 0.00288436/step, 0.508609 hours remaining, 207.761719 MB of memory in use. ENERGY: 4365200 770.5472 2120.9134 1930.6616 102.7258 -205420.7754 17599.7863 0.0000 0.0000 34157.8955 -148738.2455 298.3094 -182896.1410 -148638.7902 299.9680 -149.0692 -116.4046 559736.0833 -8.3901 -8.3482 PRESSURE: 4365400 -254.475 -3.72259 76.238 -3.72137 -67.7537 244.881 76.2352 244.88 -118.145 GPRESSURE: 4365400 -205.507 -63.3353 96.8439 15.4629 -8.99255 307.907 38.6327 257.66 -127.58 PRESSAVG: 4365400 61.9217 33.4251 25.1005 33.4251 -28.4813 17.7457 25.1004 17.7457 -4.39729 GPRESSAVG: 4365400 62.6822 31.5766 24.9984 34.5336 -29.4258 19.5724 24.0644 17.7239 -4.47199 TIMING: 4365400 CPU: 12684.4, 0.00290725/step Wall: 12684.4, 0.00290725/step, 0.512484 hours remaining, 207.761719 MB of memory in use. ENERGY: 4365400 750.2871 2091.1359 1933.9294 106.3514 -205822.3631 17629.4390 0.0000 0.0000 34421.7584 -148889.4618 300.6138 -183311.2203 -148787.1212 299.7225 -146.7913 -114.0266 558220.8122 9.6810 9.5948 PRESSURE: 4365600 21.9767 31.0314 92.3706 31.0308 11.8221 -37.1477 92.3713 -37.1477 86.5301 GPRESSURE: 4365600 85.4807 69.6086 54.9559 9.78263 3.36776 6.94652 106.783 -79.677 132.066 PRESSAVG: 4365600 -5.12587 -5.65317 33.6855 -5.65327 -3.38095 45.891 33.6855 45.891 38.5159 GPRESSAVG: 4365600 -4.57053 -3.80629 32.9524 -6.10912 -3.74484 44.5068 34.7009 46.2272 38.2841 TIMING: 4365600 CPU: 12685, 0.00291601/step Wall: 12685, 0.00291601/step, 0.513866 hours remaining, 207.761719 MB of memory in use. ENERGY: 4365600 736.5444 2122.3890 1940.7262 123.3471 -206015.4727 17766.2660 0.0000 0.0000 34572.9444 -148753.2556 301.9341 -183326.1999 -148654.7619 300.8623 40.1096 73.6383 558536.9355 10.0030 9.9896 PRESSURE: 4365800 285.21 -99.317 14.2773 -99.3167 -297.815 -76.2564 14.278 -76.2548 24.4943 GPRESSURE: 4365800 246.128 -54.0266 -5.68971 -96.3983 -249.897 2.26315 34.7495 -60.7813 107.762 PRESSAVG: 4365800 93.8489 47.1805 -7.20265 47.1805 -63.9003 -44.2784 -7.20256 -44.2784 -26.9363 GPRESSAVG: 4365800 92.7661 47.7144 -7.11379 45.9167 -63.1882 -43.1977 -6.99203 -44.5093 -26.4041 TIMING: 4365800 CPU: 12685.5, 0.00289191/step Wall: 12685.5, 0.00289191/step, 0.509458 hours remaining, 207.761719 MB of memory in use. ENERGY: 4365800 751.3669 2053.9104 1944.8174 112.0437 -205700.2849 17602.3027 0.0000 0.0000 34469.6308 -148766.2130 301.0319 -183235.8438 -148673.7150 300.0492 3.9631 34.6640 556512.6478 1.0041 1.0579 PRESSURE: 4366000 133.948 -164.613 79.7911 -164.612 -240.628 -84.9505 79.7915 -84.9503 6.2502 GPRESSURE: 4366000 146.167 -120.345 65.9366 -173.716 -235.988 -126.64 145.072 -162.286 81.0695 PRESSAVG: 4366000 -8.75254 6.78154 25.3773 6.78157 -22.4467 -22.6413 25.3774 -22.6412 11.8052 GPRESSAVG: 4366000 -8.03822 3.99491 25.0758 7.27189 -22.9094 -23.8822 24.9822 -21.6569 11.6856 TIMING: 4366000 CPU: 12686.1, 0.00289592/step Wall: 12686.1, 0.00289592/step, 0.510003 hours remaining, 207.761719 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: 4366000 762.7715 2062.0754 1941.4006 123.3194 -205985.9904 17766.5302 0.0000 0.0000 34326.8025 -149003.0910 299.7845 -183329.8935 -148908.7799 299.9004 -33.4766 -2.9172 557272.1620 -6.4647 -6.4207 PRESSURE: 4366200 130.793 -30.0446 73.5434 -30.0433 -18.0846 38.6 73.5438 38.6008 1.73849 GPRESSURE: 4366200 196.202 33.5219 26.8074 -23.0603 0.0175597 -39.4483 154.826 76.5701 15.7954 PRESSAVG: 4366200 6.44548 -13.0399 27.1143 -13.0399 8.46623 -34.0644 27.1142 -34.0642 19.213 GPRESSAVG: 4366200 7.0482 -13.2651 26.6374 -12.5013 8.82906 -31.2231 27.5544 -34.9016 18.7575 TIMING: 4366200 CPU: 12686.7, 0.00289368/step Wall: 12686.7, 0.00289368/step, 0.509449 hours remaining, 207.761719 MB of memory in use. ENERGY: 4366200 740.4655 2107.6469 1946.0230 117.6881 -206389.7931 18008.9816 0.0000 0.0000 34480.4423 -148988.5457 301.1263 -183468.9881 -148904.5664 299.8489 38.1490 70.6717 557447.1735 11.3749 11.5449 PRESSURE: 4366400 31.8082 128.445 -62.4853 128.444 332.495 -15.8095 -62.4853 -15.808 128.425 GPRESSURE: 4366400 -35.9267 12.4856 -33.0232 222.539 426.024 -29.8231 -73.3141 17.234 186.372 PRESSAVG: 4366400 -33.7089 20.8389 26.8694 20.8388 31.7231 13.6083 26.8693 13.6082 25.3025 GPRESSAVG: 4366400 -35.6909 23.3476 26.1636 20.814 33.0992 12.157 27.8614 12.1168 26.0844 TIMING: 4366400 CPU: 12687.3, 0.0029303/step Wall: 12687.3, 0.0029303/step, 0.515733 hours remaining, 207.761719 MB of memory in use. ENERGY: 4366400 756.5671 2085.9376 1937.6404 130.3365 -206794.8100 18348.6793 0.0000 0.0000 34462.1258 -149073.5233 300.9663 -183535.6492 -148984.4243 300.5635 164.2429 192.1563 558253.9501 7.7722 7.8309 PRESSURE: 4366600 -358.079 -56.4276 -97.977 -56.4282 -56.0221 -48.4524 -97.9769 -48.4524 47.0375 GPRESSURE: 4366600 -319.149 -11.9256 -99.8571 -119.895 -22.9336 -28.8636 -36.7459 -20.4832 85.6727 PRESSAVG: 4366600 -6.58931 26.6375 -9.00806 26.6375 24.4974 -55.2889 -9.00804 -55.2889 -3.34201 GPRESSAVG: 4366600 -6.51318 26.5766 -8.15343 26.087 23.7056 -55.8465 -8.87028 -53.1941 -2.5293 TIMING: 4366600 CPU: 12687.9, 0.00290499/step Wall: 12687.9, 0.00290499/step, 0.511117 hours remaining, 207.761719 MB of memory in use. ENERGY: 4366600 750.6861 2101.7136 1949.5283 117.8443 -206347.0452 17862.1410 0.0000 0.0000 34371.5104 -149193.6215 300.1749 -183565.1319 -149098.5636 300.4118 -122.3545 -85.4698 558759.6057 4.8554 4.8877 PRESSURE: 4366800 161.337 -23.1891 -92.6704 -23.1874 -46.683 67.0664 -92.6702 67.0672 -197.984 GPRESSURE: 4366800 178.74 -72.8433 -35.0849 -17.3979 -54.1836 -46.2437 -169.432 108.857 -116.133 PRESSAVG: 4366800 -9.16514 11.6881 -13.7873 11.6882 31.8251 -28.6132 -13.7873 -28.6131 -51.1976 GPRESSAVG: 4366800 -8.65246 12.1001 -14.8924 10.3217 32.4786 -29.0434 -14.156 -30.2869 -52.9846 TIMING: 4366800 CPU: 12688.5, 0.00292974/step Wall: 12688.5, 0.00292974/step, 0.515308 hours remaining, 207.761719 MB of memory in use. ENERGY: 4366800 732.8051 2055.2724 1939.6589 110.6074 -206202.2971 17917.3647 0.0000 0.0000 34439.4454 -149007.1430 300.7682 -183446.5884 -148905.1707 299.5926 -27.7767 2.8076 558543.9122 -9.5125 -9.7195 PRESSURE: 4367000 77.8213 -30.6984 59.4635 -30.6992 -27.6105 -92.0134 59.4641 -92.0124 -79.793 GPRESSURE: 4367000 126.33 -144.432 26.8392 -23.1107 4.00595 -86.647 81.3175 -129.805 -69.9582 PRESSAVG: 4367000 16.7185 0.192253 -75.9986 0.192224 -11.9558 19.489 -75.9987 19.4891 6.45358 GPRESSAVG: 4367000 15.7953 -0.422823 -74.5757 0.604678 -12.5994 22.2093 -78.5744 18.8066 7.70112 TIMING: 4367000 CPU: 12689, 0.00292137/step Wall: 12689, 0.00292137/step, 0.513674 hours remaining, 207.761719 MB of memory in use. ENERGY: 4367000 762.3975 2113.1176 1941.4099 113.9627 -206095.5506 17932.7533 0.0000 0.0000 34095.8956 -149136.0141 297.7679 -183231.9097 -149043.6815 298.8763 -9.8608 20.1259 560097.0345 3.7387 3.6323 PRESSURE: 4367200 -97.9512 142.035 66.8167 142.036 -152.098 54.6605 66.8166 54.6611 110.317 GPRESSURE: 4367200 -63.266 109.642 151.237 163.696 -53.2841 28.9527 111.445 98.6038 76.14 PRESSAVG: 4367200 82.9189 -11.1471 -31.3661 -11.1471 -48.7302 -4.84244 -31.3661 -4.84236 -25.7881 GPRESSAVG: 4367200 83.2495 -11.7726 -30.6916 -10.1592 -47.6718 -6.46384 -30.2068 -3.36209 -26.8789 TIMING: 4367200 CPU: 12689.6, 0.00290671/step Wall: 12689.6, 0.00290671/step, 0.510935 hours remaining, 207.761719 MB of memory in use. ENERGY: 4367200 755.7032 2070.5207 1949.1582 120.6502 -206284.6808 17732.5629 0.0000 0.0000 34423.8370 -149232.2488 300.6319 -183656.0857 -149148.0681 299.1827 -46.5775 -13.4700 556673.6185 2.8002 2.8996 PRESSURE: 4367400 -121.147 -90.658 -20.172 -90.6576 62.2643 69.0117 -20.1712 69.0112 -170.682 GPRESSURE: 4367400 -67.0098 -93.7965 -64.9868 -87.1051 75.4924 93.2881 48.3507 39.2058 -144.364 PRESSAVG: 4367400 12.8747 -11.6793 32.9234 -11.6792 -46.7617 6.71943 32.9234 6.71937 -1.7366 GPRESSAVG: 4367400 13.3594 -11.2569 29.0323 -11.3503 -47.5906 6.47929 33.5916 5.78724 -1.07964 TIMING: 4367400 CPU: 12690.2, 0.00291055/step Wall: 12690.2, 0.00291055/step, 0.511447 hours remaining, 207.761719 MB of memory in use. ENERGY: 4367400 771.2130 2048.1206 1922.4133 108.5022 -206463.2429 17888.6354 0.0000 0.0000 34417.7175 -149306.6410 300.5785 -183724.3585 -149203.6713 299.6366 -76.5215 -45.2936 557051.1554 -11.8745 -11.7703 PRESSURE: 4367600 55.6876 66.9696 37.5727 66.9691 -99.3169 15.4076 37.5738 15.4084 268.092 GPRESSURE: 4367600 88.2109 93.2405 62.1335 55.6161 -77.6579 70.8682 75.6172 -103.185 315.513 PRESSAVG: 4367600 -69.4171 -54.3791 15.6897 -54.3792 68.6608 48.5167 15.6897 48.5167 9.58502 GPRESSAVG: 4367600 -68.9474 -55.5964 17.3065 -53.6508 69.0474 48.3906 13.3601 48.2964 8.66006 TIMING: 4367600 CPU: 12690.8, 0.00287673/step Wall: 12690.8, 0.00287673/step, 0.505345 hours remaining, 207.761719 MB of memory in use. ENERGY: 4367600 744.0943 2041.8208 1936.9557 109.3453 -205944.0337 17834.1835 0.0000 0.0000 34181.9671 -149095.6670 298.5196 -183277.6341 -148994.8993 299.4337 74.8210 108.6887 556617.4782 2.9429 2.9200 PRESSURE: 4367800 418.447 -17.4485 -11.7997 -17.4498 -188.304 58.8546 -11.7973 58.8557 200.717 GPRESSURE: 4367800 422.561 63.8351 27.4677 -85.073 -146.073 50.7784 -66.6243 15.6114 251.983 PRESSAVG: 4367800 -6.78497 0.869357 36.2809 0.869312 -27.0195 19.1425 36.2809 19.1425 5.87252 GPRESSAVG: 4367800 -7.01658 2.63762 37.3017 0.794427 -27.6932 18.2749 36.1554 19.7542 6.45765 TIMING: 4367800 CPU: 12691.4, 0.00290319/step Wall: 12691.4, 0.00290319/step, 0.509833 hours remaining, 207.761719 MB of memory in use. ENERGY: 4367800 713.3950 2142.0325 1951.0807 116.6064 -206280.2562 18055.6493 0.0000 0.0000 34457.4333 -148844.0590 300.9253 -183301.4923 -148749.9122 299.8271 143.6204 176.1570 559135.6012 -9.3107 -9.4174 PRESSURE: 4368000 -154.745 166.873 20.4327 166.874 -82.063 -17.0319 20.4313 -17.0314 -312.308 GPRESSURE: 4368000 -150.948 33.2204 32.1561 129.456 -48.8886 -33.3355 74.21 8.02637 -264.12 PRESSAVG: 4368000 -52.0425 -9.60325 29.068 -9.60327 -19.4759 8.60148 29.068 8.60143 92.9742 GPRESSAVG: 4368000 -52.1135 -11.1168 30.3003 -8.83217 -20.2231 8.63832 30.3239 9.9117 93.229 TIMING: 4368000 CPU: 12691.9, 0.00290282/step Wall: 12691.9, 0.00290282/step, 0.509607 hours remaining, 207.761719 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: 4368000 735.6007 2045.2290 1957.6717 111.1658 -205732.2892 17610.1482 0.0000 0.0000 34246.5311 -149025.9428 299.0835 -183272.4738 -148927.8692 299.6269 -183.0386 -154.6522 558473.8982 7.1519 6.9641 PRESSURE: 4368200 215.755 -41.2641 -36.6375 -41.2652 148.28 -91.1377 -36.6379 -91.1362 -29.9544 GPRESSURE: 4368200 270.343 -59.3545 -50.3587 57.4214 162.124 -75.0303 33.0978 35.0883 5.97789 PRESSAVG: 4368200 8.10074 -8.99216 24.9315 -8.99211 -29.094 10.209 24.9314 10.209 -16.5027 GPRESSAVG: 4368200 7.93488 -8.48371 24.3194 -11.2109 -29.0755 11.4342 26.3257 9.30948 -16.8184 TIMING: 4368200 CPU: 12692.5, 0.00287206/step Wall: 12692.5, 0.00287206/step, 0.504046 hours remaining, 207.761719 MB of memory in use. ENERGY: 4368200 756.7863 2049.9403 1947.1886 110.0332 -206130.8892 17972.8288 0.0000 0.0000 34400.2359 -148893.8760 300.4258 -183294.1120 -148801.4213 300.0172 111.3603 146.1482 558221.9967 -12.4987 -12.6530 LDB: ============= START OF LOAD BALANCING ============== 12696 LDB: ============== END OF LOAD BALANCING =============== 12696 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12696 LDB: ============= START OF LOAD BALANCING ============== 12696.3 LDB: Largest compute 4848 load 0.025774 is 21.9% of average load 0.117788 LDB: Average compute 0.001746 is 1.5% of average load 0.117788 LDB: TIME 12696.3 LOAD: AVG 0.117788 MAX 0.17983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 12696.3 LOAD: AVG 0.117788 MAX 0.17983 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: TIME 12696.3 LOAD: AVG 0.117788 MAX 0.17983 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12696.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12696.3 PRESSURE: 4368400 -420.163 -33.8979 175.676 -33.8961 -268.241 100.563 175.676 100.562 17.8934 GPRESSURE: 4368400 -372.288 -89.0729 45.5468 -1.13244 -219.565 39.6949 199.265 109.079 13.7034 PRESSAVG: 4368400 -31.2137 16.9845 52.9467 16.9845 -52.3857 58.9908 52.9466 58.9908 34.4087 GPRESSAVG: 4368400 -30.9243 15.6332 50.2415 18.4949 -52.1145 57.1207 52.0617 59.6755 33.9885 TIMING: 4368400 CPU: 12693.1, 0.00296026/step Wall: 12693.1, 0.00296026/step, 0.519362 hours remaining, 207.355469 MB of memory in use. ENERGY: 4368400 783.5691 2057.5997 1962.2271 108.0978 -205992.6862 17687.0727 0.0000 0.0000 34408.1068 -148986.0129 300.4946 -183394.1198 -148883.9353 299.8124 -223.5036 -192.7164 559007.3199 -16.3969 -16.3501 PRESSURE: 4368600 101.573 3.73315 173.231 3.73136 8.7866 -88.7463 173.23 -88.7446 203.82 GPRESSURE: 4368600 75.6956 32.7012 219.254 -37.4176 74.188 -110.246 135.475 -114.458 263.009 PRESSAVG: 4368600 89.3964 22.0288 72.0356 22.0289 -79.7633 -30.4003 72.0356 -30.4001 -9.94409 GPRESSAVG: 4368600 89.2546 22.1595 73.2193 20.5359 -79.8639 -29.2018 72.3635 -30.8589 -9.832 TIMING: 4368600 CPU: 12693.7, 0.00289021/step Wall: 12693.7, 0.00289021/step, 0.506911 hours remaining, 207.558594 MB of memory in use. ENERGY: 4368600 746.7171 2082.5866 1950.6428 107.8487 -206086.2371 17812.6358 0.0000 0.0000 34292.3717 -149093.4346 299.4838 -183385.8062 -148995.6009 300.0529 104.7265 137.6308 557168.6438 -0.1037 -0.1471 PRESSURE: 4368800 -0.153999 -197.523 10.269 -197.523 -322.288 -85.5025 10.2687 -85.5025 -183.363 GPRESSURE: 4368800 8.06306 -169.395 22.0211 -254.91 -273.359 -80.3352 15.1448 -54.4166 -138.777 PRESSAVG: 4368800 56.8371 -37.7819 23.8128 -37.7819 -15.8963 -5.83508 23.8127 -5.83498 -28.244 GPRESSAVG: 4368800 55.9082 -37.7736 24.4281 -34.888 -15.9541 -6.13332 23.1951 -6.28924 -27.0432 TIMING: 4368800 CPU: 12694.3, 0.00289384/step Wall: 12694.3, 0.00289384/step, 0.507387 hours remaining, 207.558594 MB of memory in use. ENERGY: 4368800 796.1010 2093.1339 1952.0081 124.9940 -205893.6343 17633.1152 0.0000 0.0000 34106.8912 -149187.3909 297.8640 -183294.2821 -149094.8842 299.5749 -168.6017 -134.6909 558062.1691 4.2322 4.3036 PRESSURE: 4369000 -52.2384 27.0746 103.571 27.0756 -35.8968 35.0921 103.571 35.092 -155.12 GPRESSURE: 4369000 -41.248 -131.3 32.7482 161.617 -22.2058 27.3293 133.09 121.394 -82.8326 PRESSAVG: 4369000 -9.85275 -17.7954 8.91906 -17.7954 -64.6312 24.0256 8.91902 24.0255 76.1924 GPRESSAVG: 4369000 -9.33878 -18.454 9.06709 -18.3147 -63.4765 24.174 7.43852 24.7068 75.2504 TIMING: 4369000 CPU: 12694.8, 0.0029067/step Wall: 12694.8, 0.0029067/step, 0.509479 hours remaining, 207.558594 MB of memory in use. ENERGY: 4369000 746.4664 2102.0402 1964.6400 112.7973 -206266.2875 17796.4767 0.0000 0.0000 34410.8965 -149132.9704 300.5189 -183543.8669 -149027.1377 300.1493 -81.0852 -48.7621 558035.0505 0.5695 0.8117 PRESSURE: 4369200 -93.7272 -134.615 -73.5114 -134.615 85.6261 -37.3348 -73.512 -37.3347 110.516 GPRESSURE: 4369200 -22.7863 -28.9319 -184.778 -141.602 98.3947 -38.5533 -30.8627 -9.8513 112.557 PRESSAVG: 4369200 -18.1794 -15.4391 -23.9449 -15.4391 -13.1039 3.12396 -23.9449 3.12403 44.0022 GPRESSAVG: 4369200 -16.8572 -15.3922 -23.5446 -14.3866 -15.0711 3.21569 -23.5859 0.624766 44.5252 TIMING: 4369200 CPU: 12695.4, 0.00291375/step Wall: 12695.4, 0.00291375/step, 0.510553 hours remaining, 207.628906 MB of memory in use. ENERGY: 4369200 743.5547 2121.9709 1933.3503 119.1400 -206231.5857 17797.8088 0.0000 0.0000 34313.7576 -149202.0033 299.6706 -183515.7609 -149100.9616 299.7580 34.1384 62.7217 556983.7956 4.2396 4.1990 PRESSURE: 4369400 -152.338 70.6831 -91.3096 70.6825 -182.128 170.498 -91.3095 170.498 -37.0288 GPRESSURE: 4369400 -128.545 49.585 -97.7952 3.67196 -138.023 151.766 -47.2276 219.567 -19.3779 PRESSAVG: 4369400 6.62424 -46.1236 -20.4777 -46.1235 60.1588 5.66712 -20.4775 5.66708 -41.2438 GPRESSAVG: 4369400 5.00557 -44.9086 -21.1064 -49.9923 61.3503 5.91085 -18.1746 6.09816 -41.3282 TIMING: 4369400 CPU: 12696, 0.00290693/step Wall: 12696, 0.00290693/step, 0.509197 hours remaining, 207.628906 MB of memory in use. ENERGY: 4369400 785.2267 2074.1971 1989.9066 121.2148 -206161.3508 17759.1879 0.0000 0.0000 34265.2514 -149166.3664 299.2470 -183431.6178 -149076.2267 299.3099 -123.8313 -95.3154 557517.9045 8.5131 8.3426 PRESSURE: 4369600 178.124 -157.121 32.7059 -157.12 109.954 63.373 32.7056 63.3742 -121.85 GPRESSURE: 4369600 139.479 -144.641 -30.4595 -123.953 180.814 58.4329 8.43927 12.8308 -57.5628 PRESSAVG: 4369600 -43.0724 -3.1981 27.3883 -3.19823 104.102 -18.1777 27.3883 -18.1777 -28.5893 GPRESSAVG: 4369600 -42.7555 -2.4521 28.1392 -1.82339 102.766 -20.7208 25.1132 -16.8135 -27.4799 TIMING: 4369600 CPU: 12696.6, 0.00290905/step Wall: 12696.6, 0.00290905/step, 0.509407 hours remaining, 207.628906 MB of memory in use. ENERGY: 4369600 741.7984 2101.8752 1969.1876 101.5503 -205933.3911 17719.8740 0.0000 0.0000 34118.8048 -149180.3008 297.9680 -183299.1056 -149089.1249 299.5512 55.4096 87.5768 557440.7183 10.8135 10.8437 PRESSURE: 4369800 -165.342 122.376 40.083 122.376 9.84132 52.1626 40.0835 52.1634 107.489 GPRESSURE: 4369800 -135.403 28.2318 -37.4435 148.145 66.0179 139.676 139.827 26.7074 120.085 PRESSAVG: 4369800 -45.645 39.8684 -29.1788 39.8684 50.3616 -95.6452 -29.1789 -95.6452 -2.32311 GPRESSAVG: 4369800 -46.5661 38.1291 -31.426 39.0729 52.0537 -91.4737 -27.3807 -97.3459 -3.43982 TIMING: 4369800 CPU: 12697.2, 0.00292349/step Wall: 12697.2, 0.00292349/step, 0.511774 hours remaining, 207.628906 MB of memory in use. ENERGY: 4369800 743.6723 2048.9555 1962.8155 121.8344 -206011.5106 17792.0537 0.0000 0.0000 34269.8564 -149072.3228 299.2872 -183342.1792 -148980.1773 299.7965 -16.0037 16.8999 558124.1206 0.7978 0.6826 PRESSURE: 4370000 273.212 27.5421 -95.9701 27.5413 -130.597 39.6132 -95.9704 39.6134 31.8872 GPRESSURE: 4370000 198.626 58.4971 -50.2056 -26.5005 -83.9351 11.1727 -56.7681 71.0732 165.341 PRESSAVG: 4370000 -69.3167 -21.8305 -60.5789 -21.8305 32.2062 28.0951 -60.5789 28.0951 28.8343 GPRESSAVG: 4370000 -67.4808 -19.4102 -58.2317 -20.2992 30.9342 26.9025 -62.5749 29.0632 28.7729 TIMING: 4370000 CPU: 12697.8, 0.00292585/step Wall: 12697.8, 0.00292585/step, 0.512025 hours remaining, 207.628906 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: 4370000 739.0638 2053.0472 1991.6144 120.2706 -206387.6838 17927.5093 0.0000 0.0000 34552.1410 -149004.0375 301.7524 -183556.1785 -148907.7643 299.9929 58.1674 93.3439 556442.4515 -2.7587 -2.5912 PRESSURE: 4370200 -11.4765 170.122 -84.1663 170.122 -34.6857 -191.341 -84.1675 -191.342 189.644 GPRESSURE: 4370200 26.4595 193.477 48.1892 135.367 -4.42959 -159.779 -203.049 -227.318 216.768 PRESSAVG: 4370200 -33.4199 56.8111 -80.2333 56.811 -6.94226 -34.7827 -80.2334 -34.7826 14.9226 GPRESSAVG: 4370200 -33.4892 55.845 -80.0999 55.8304 -7.95012 -36.2955 -81.682 -33.5932 15.9464 TIMING: 4370200 CPU: 12698.3, 0.00292763/step Wall: 12698.3, 0.00292763/step, 0.512173 hours remaining, 207.628906 MB of memory in use. ENERGY: 4370200 733.7296 2079.7901 1955.2041 114.2059 -206287.4061 17968.5493 0.0000 0.0000 34387.7082 -149048.2189 300.3164 -183435.9271 -148956.4057 300.4202 47.8274 79.5991 557461.5051 -8.4799 -8.4977 PRESSURE: 4370400 -91.1986 95.7476 16.0159 95.7482 -123.705 -133.125 16.0148 -133.125 -31.4283 GPRESSURE: 4370400 -7.21449 150.89 38.7586 77.5646 -103.267 -51.3688 28.8133 -178.512 -25.9792 PRESSAVG: 4370400 -24.0722 24.4809 -64.6862 24.4807 -3.69824 -67.6215 -64.6861 -67.6217 10.8139 GPRESSAVG: 4370400 -23.8099 25.2711 -65.8917 24.5526 -2.26327 -65.4936 -62.1236 -67.4388 9.26954 TIMING: 4370400 CPU: 12698.9, 0.00290802/step Wall: 12698.9, 0.00290802/step, 0.508581 hours remaining, 207.628906 MB of memory in use. ENERGY: 4370400 751.7527 2110.2848 1973.3985 116.2828 -205865.7000 17618.3391 0.0000 0.0000 34109.1443 -149186.4978 297.8836 -183295.6421 -149091.8481 299.6922 -82.1107 -45.4868 556748.7234 -5.6522 -5.6012 PRESSURE: 4370600 -61.5058 -72.3328 148.311 -72.3328 25.4656 92.8026 148.31 92.8023 -129.548 GPRESSURE: 4370600 -71.3663 -102.268 105.947 30.3157 75.0179 -5.40935 150.633 134.088 -70.382 PRESSAVG: 4370600 9.66249 1.87371 -23.0463 1.87375 -38.0739 -2.99051 -23.0463 -2.99064 56.914 GPRESSAVG: 4370600 8.64393 -0.0970005 -22.3686 1.16813 -38.3981 -3.25523 -22.8548 -4.17054 57.756 TIMING: 4370600 CPU: 12699.5, 0.00290801/step Wall: 12699.5, 0.00290801/step, 0.508417 hours remaining, 207.628906 MB of memory in use. ENERGY: 4370600 775.4340 2057.0410 1964.0459 119.4290 -206212.0377 17868.8559 0.0000 0.0000 34196.3616 -149230.8702 298.6453 -183427.2318 -149136.5841 299.6489 -55.1961 -22.2435 556952.9615 9.5009 9.3340 PRESSURE: 4370800 360.79 0.685384 -207.569 0.686225 -262.607 23.4189 -207.569 23.4203 233.165 GPRESSURE: 4370800 474.107 59.0559 -196.66 -14.3598 -285.527 -17.0398 -119.459 -9.52856 251.317 PRESSAVG: 4370800 -21.7678 -5.90877 -10.1052 -5.9087 9.0381 11.7173 -10.1052 11.7173 6.25657 GPRESSAVG: 4370800 -21.1826 -3.15086 -11.5489 -6.68735 8.4306 9.62336 -10.5184 12.7864 5.7097 TIMING: 4370800 CPU: 12700.1, 0.00289196/step Wall: 12700.1, 0.00289196/step, 0.50545 hours remaining, 207.628906 MB of memory in use. ENERGY: 4370800 721.5252 2040.7738 1970.4034 101.6785 -206100.8904 17913.4175 0.0000 0.0000 34187.9944 -149165.0976 298.5723 -183353.0920 -149066.8475 299.0964 110.4496 146.6325 557696.0626 -2.1577 -2.3474 PRESSURE: 4371000 130.308 161.741 -138.317 161.74 -234.062 17.4926 -138.316 17.4926 -147.363 GPRESSURE: 4371000 183.483 160.985 -157.786 273.566 -240.906 -50.1305 -222.928 53.1371 -102.529 PRESSAVG: 4371000 48.1537 -24.7208 -43.0306 -24.7209 -78.9703 -33.434 -43.0306 -33.4339 36.5596 GPRESSAVG: 4371000 47.9521 -27.6588 -43.4424 -22.1197 -78.7005 -30.0201 -42.5865 -35.6012 36.3245 TIMING: 4371000 CPU: 12700.7, 0.00288689/step Wall: 12700.7, 0.00288689/step, 0.504404 hours remaining, 207.628906 MB of memory in use. ENERGY: 4371000 760.5288 2057.7287 1957.4621 115.6600 -206184.2517 17812.5150 0.0000 0.0000 34282.4748 -149197.8823 299.3974 -183480.3571 -149107.8990 299.4813 -83.7056 -53.3171 557747.6336 1.9143 1.8587 PRESSURE: 4371200 -191.599 -13.4142 47.1261 -13.4137 -273.164 17.601 47.1256 17.602 31.0117 GPRESSURE: 4371200 -134.036 -43.6057 105.434 58.1144 -249.132 -44.0291 54.6649 75.4857 29.5863 PRESSAVG: 4371200 39.972 4.29425 -33.9236 4.29413 -33.4594 7.18216 -33.9236 7.18228 7.15313 GPRESSAVG: 4371200 39.3505 5.17709 -32.5641 3.77521 -33.288 4.98755 -34.1422 9.37282 7.75232 TIMING: 4371200 CPU: 12701.2, 0.00290964/step Wall: 12701.2, 0.00290964/step, 0.508217 hours remaining, 207.628906 MB of memory in use. ENERGY: 4371200 757.2145 2075.3748 1957.9530 114.6092 -206004.2461 17781.0939 0.0000 0.0000 34061.3465 -149256.6542 297.4662 -183318.0008 -149158.8329 300.0890 -144.5837 -117.8607 557663.1866 4.5552 4.6049 PRESSURE: 4371400 18.8551 22.8661 -54.1408 22.8676 -195.488 52.6403 -54.1414 52.6397 -52.6414 GPRESSURE: 4371400 66.5486 26.6121 -109.391 27.612 -173.665 50.7588 -4.88683 96.3925 -18.4761 PRESSAVG: 4371400 -35.0476 -25.0868 -81.5827 -25.0868 -10.9651 3.4772 -81.5827 3.47717 52.9481 GPRESSAVG: 4371400 -35.1169 -26.4144 -81.8843 -26.3336 -11.0179 4.75109 -81.1602 1.67602 54.1035 TIMING: 4371400 CPU: 12701.8, 0.0029096/step Wall: 12701.8, 0.0029096/step, 0.508048 hours remaining, 207.628906 MB of memory in use. ENERGY: 4371400 719.8051 2023.2128 1951.5920 108.7425 -205966.5431 17698.2370 0.0000 0.0000 34218.3420 -149246.6117 298.8373 -183464.9537 -149145.5977 298.0009 -76.4247 -41.8640 556938.0616 2.3118 2.6562 PRESSURE: 4371600 23.7266 43.4871 85.1374 43.4857 -507.336 51.3433 85.136 51.3453 -5.51628 GPRESSURE: 4371600 155.261 -81.7172 85.897 68.3644 -465.569 -44.4801 50.2348 41.943 -80.3234 PRESSAVG: 4371600 -47.9899 -5.13221 -3.1905 -5.1323 1.1101 28.2601 -3.19053 28.2601 44.1111 GPRESSAVG: 4371600 -47.9046 -4.95037 -3.9748 -3.24513 1.25838 27.3243 -2.62727 29.8758 44.0034 TIMING: 4371600 CPU: 12702.4, 0.00288707/step Wall: 12702.4, 0.00288707/step, 0.503953 hours remaining, 207.628906 MB of memory in use. ENERGY: 4371600 746.4866 2029.2596 1954.3466 116.0692 -205963.2577 17496.8047 0.0000 0.0000 34308.9055 -149311.3854 299.6282 -183620.2909 -149220.7836 298.3631 -163.0419 -130.2104 558153.4400 -0.9229 -0.8810 PRESSURE: 4371800 115.384 -58.9622 67.8608 -58.9626 -135.263 170.956 67.8616 170.958 -114.483 GPRESSURE: 4371800 108.747 -33.7997 199.369 -97.0522 -18.9033 148.788 61.8143 168.063 -122.311 PRESSAVG: 4371800 -13.8887 -35.3399 6.43382 -35.3399 -12.1917 53.9447 6.43384 53.9448 10.7389 GPRESSAVG: 4371800 -13.1934 -33.598 6.49017 -37.8939 -11.8752 55.0197 6.78311 54.0744 9.58729 TIMING: 4371800 CPU: 12703, 0.00291588/step Wall: 12703, 0.00291588/step, 0.508821 hours remaining, 207.628906 MB of memory in use. ENERGY: 4371800 746.2849 2048.2187 1961.7200 114.6033 -206003.7421 17873.3369 0.0000 0.0000 34135.9149 -149123.6634 298.1174 -183259.5783 -149024.3348 299.2671 -44.7873 -10.8223 558429.9365 -5.1138 -5.1604 PRESSURE: 4372000 17.3661 -19.1897 -40.112 -19.1882 139.686 21.4302 -40.1131 21.4294 -63.5763 GPRESSURE: 4372000 129.259 5.62078 -23.3452 -2.92794 24.4286 100.724 -78.2559 -26.0652 35.0486 PRESSAVG: 4372000 87.373 -5.24376 42.5659 -5.24376 -48.5301 26.2107 42.5659 26.2107 19.9182 GPRESSAVG: 4372000 86.7228 -3.71642 43.2582 -6.311 -49.0132 24.8449 40.3685 26.3737 21.2871 TIMING: 4372000 CPU: 12703.6, 0.00291864/step Wall: 12703.6, 0.00291864/step, 0.50914 hours remaining, 207.628906 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: 4372000 713.7745 2084.0543 1939.8722 110.8299 -206031.6645 17814.1311 0.0000 0.0000 34353.6429 -149015.3595 300.0189 -183369.0024 -148915.9280 299.2666 31.1587 62.9119 557926.0565 19.5870 19.6656 PRESSURE: 4372200 372.15 -174.863 -18.5377 -174.864 -75.6301 77.7611 -18.5366 77.7612 67.9593 GPRESSURE: 4372200 393.86 -148.061 -5.95121 -226.674 -46.0013 72.8196 -12.8091 34.8311 115.573 PRESSAVG: 4372200 -70.4744 -13.5845 -8.74472 -13.5845 -31.4551 4.54177 -8.74468 4.54169 47.5551 GPRESSAVG: 4372200 -70.4937 -14.8484 -9.08932 -10.1581 -30.7302 5.58738 -8.45049 2.76805 46.9744 TIMING: 4372200 CPU: 12704.2, 0.00294008/step Wall: 12704.2, 0.00294008/step, 0.512716 hours remaining, 207.628906 MB of memory in use. ENERGY: 4372200 733.8785 2081.6678 1959.1435 100.5691 -206057.3291 17889.0314 0.0000 0.0000 34079.8367 -149213.2020 297.6277 -183293.0387 -149117.3574 299.2893 121.4930 154.4773 557226.4332 -18.1248 -18.0831 LDB: ============= START OF LOAD BALANCING ============== 12707.6 LDB: ============== END OF LOAD BALANCING =============== 12707.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12707.6 LDB: ============= START OF LOAD BALANCING ============== 12707.9 LDB: Largest compute 4848 load 0.026261 is 22.3% of average load 0.117779 LDB: Average compute 0.001734 is 1.5% of average load 0.117779 LDB: TIME 12707.9 LOAD: AVG 0.117779 MAX 0.179603 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.934 MB LDB: TIME 12707.9 LOAD: AVG 0.117779 MAX 0.179603 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: TIME 12707.9 LOAD: AVG 0.117779 MAX 0.179603 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: ============== END OF LOAD BALANCING =============== 12707.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12707.9 PRESSURE: 4372400 -106.691 -0.831423 -58.2021 -0.833169 57.0298 6.31804 -58.2014 6.31776 122.731 GPRESSURE: 4372400 -62.6344 -12.7324 -9.76258 58.5488 123.284 -47.8349 -49.8409 -20.7037 110.334 PRESSAVG: 4372400 -51.7783 -49.1563 5.76231 -49.1562 36.1606 74.7266 5.76236 74.7266 44.8676 GPRESSAVG: 4372400 -52.8908 -50.8975 4.12913 -49.5606 35.9072 71.6462 6.92518 77.8237 46.2182 TIMING: 4372400 CPU: 12704.8, 0.00298932/step Wall: 12704.8, 0.00298932/step, 0.521139 hours remaining, 208.339844 MB of memory in use. ENERGY: 4372400 754.7871 2073.2723 1931.0772 102.5218 -206432.0348 18002.1530 0.0000 0.0000 34383.6115 -149184.6120 300.2806 -183568.2235 -149090.3643 299.0779 24.3564 56.9944 556747.8347 9.7500 9.7449 PRESSURE: 4372600 -17.4317 4.95911 135.815 4.95905 92.7712 13.0954 135.814 13.0957 -178.452 GPRESSURE: 4372600 -1.1975 -18.6536 113.433 52.1054 42.1802 -71.9669 143.056 103.524 -42.9059 PRESSAVG: 4372600 59.3921 12.5574 54.6244 12.5574 -61.3783 -6.6013 54.6243 -6.60118 -10.8452 GPRESSAVG: 4372600 58.9557 13.333 57.106 14.3351 -60.8905 -5.18447 54.2536 -7.29187 -10.9221 TIMING: 4372600 CPU: 12705.3, 0.00293117/step Wall: 12705.3, 0.00293117/step, 0.510838 hours remaining, 208.542969 MB of memory in use. ENERGY: 4372600 759.0374 2040.3247 1932.1626 116.4407 -206006.2089 17871.7709 0.0000 0.0000 34190.7241 -149095.7484 298.5961 -183286.4726 -149005.9861 299.2801 -34.3708 -0.6411 558175.7795 -4.2771 -4.2856 PRESSURE: 4372800 79.6022 -40.7096 61.4184 -40.7084 -153.905 -101.128 61.418 -101.128 102.636 GPRESSURE: 4372800 79.5484 -164.067 114.022 -75.4495 -71.8479 -156.293 -73.7405 -53.1149 114.169 PRESSAVG: 4372800 1.19931 19.8829 -3.99639 19.8828 49.0253 -5.07864 -3.99635 -5.0787 -15.9864 GPRESSAVG: 4372800 2.73457 20.8549 -6.33092 17.3181 48.5516 -1.87174 -1.6831 -7.57815 -16.6213 TIMING: 4372800 CPU: 12705.9, 0.0029277/step Wall: 12705.9, 0.0029277/step, 0.51007 hours remaining, 208.542969 MB of memory in use. ENERGY: 4372800 725.2683 2031.4364 1953.3756 102.5532 -206085.1237 17860.1670 0.0000 0.0000 34304.1870 -149108.1363 299.5870 -183412.3233 -149014.7269 299.5382 9.4445 40.6231 558211.6426 11.4127 11.5550 PRESSURE: 4373000 303.67 62.1839 -62.149 62.1833 -13.7901 86.8978 -62.1474 86.8976 -254.904 GPRESSURE: 4373000 335.785 -51.0071 6.88215 98.5252 -29.842 13.4692 -90.3488 37.7995 -173.293 PRESSAVG: 4373000 79.2967 3.47209 20.696 3.47214 -86.3457 -44.2676 20.696 -44.2675 -13.3027 GPRESSAVG: 4373000 79.3254 2.34921 21.7989 5.02694 -86.0752 -45.7521 17.7026 -42.8532 -14.4464 TIMING: 4373000 CPU: 12706.5, 0.0029054/step Wall: 12706.5, 0.0029054/step, 0.506024 hours remaining, 208.542969 MB of memory in use. ENERGY: 4373000 750.1779 2106.9313 1987.3180 109.7322 -206260.5909 17772.8189 0.0000 0.0000 34363.9799 -149169.6328 300.1092 -183533.6127 -149073.9874 299.8244 11.6586 44.2165 556999.3733 -6.7839 -7.0654 PRESSURE: 4373200 -120.126 12.6925 56.5605 12.6928 18.8718 -104.892 56.5609 -104.892 -330.87 GPRESSURE: 4373200 -139.923 -6.14464 13.067 0.10446 58.6497 -36.5092 80.1868 -125.99 -250.02 PRESSAVG: 4373200 43.2212 -23.1623 16.1572 -23.1623 -38.1811 10.2484 16.1573 10.2486 9.41154 GPRESSAVG: 4373200 43.5681 -21.8996 15.4977 -23.4849 -39.4652 8.1874 16.4486 11.5469 11.1568 TIMING: 4373200 CPU: 12707.1, 0.00289387/step Wall: 12707.1, 0.00289387/step, 0.503855 hours remaining, 208.542969 MB of memory in use. ENERGY: 4373200 748.8790 2122.0814 1980.8333 115.3864 -206056.4789 17487.7483 0.0000 0.0000 34493.9717 -149107.5789 301.2444 -183601.5506 -149010.3920 300.6966 -144.0413 -110.4309 556731.4784 4.8172 5.0866 PRESSURE: 4373400 -194.561 -14.4726 2.13192 -14.4725 -299.214 -49.4054 2.13109 -49.4062 -208.167 GPRESSURE: 4373400 -171.052 -47.667 64.9659 -47.3304 -265.729 -54.3198 -22.5169 -36.5987 -174.924 PRESSAVG: 4373400 5.66976 0.152946 -2.61502 0.153001 20.7942 12.9662 -2.61505 12.9663 40.5745 GPRESSAVG: 4373400 5.52419 -0.192569 -2.23493 -1.324 22.4484 15.312 -2.83591 10.9463 38.7861 TIMING: 4373400 CPU: 12707.7, 0.00291948/step Wall: 12707.7, 0.00291948/step, 0.508151 hours remaining, 208.542969 MB of memory in use. ENERGY: 4373400 768.6023 2104.0599 1946.5420 116.4597 -205772.2028 17425.8101 0.0000 0.0000 34251.9444 -149158.7845 299.1307 -183410.7289 -149064.0514 300.4103 -233.9807 -203.9015 558562.1421 22.3462 22.2529 PRESSURE: 4373600 -241.794 -19.9791 82.4195 -19.9795 -223.728 8.42211 82.4188 8.42365 -136.56 GPRESSURE: 4373600 -218.123 28.4191 4.31905 23.7858 -208.391 -8.65201 161.598 112.215 -83.9547 PRESSAVG: 4373600 -28.033 38.4302 -11.3152 38.4303 22.1236 -39.2906 -11.3152 -39.2906 -24.1391 GPRESSAVG: 4373600 -28.6151 38.6917 -11.6851 36.7716 22.2203 -42.4721 -11.4482 -37.1743 -23.4895 TIMING: 4373600 CPU: 12708.3, 0.0029048/step Wall: 12708.3, 0.0029048/step, 0.505434 hours remaining, 208.542969 MB of memory in use. ENERGY: 4373600 779.6012 2111.4408 1964.7844 135.3126 -206191.2250 17658.0103 0.0000 0.0000 34270.3289 -149271.7470 299.2913 -183542.0759 -149173.1661 298.6209 -200.6941 -170.1560 558224.3250 -10.0162 -9.9614 PRESSURE: 4373800 -180.003 173.724 -52.421 173.724 -136.998 -63.627 -52.4215 -63.6268 41.4623 GPRESSURE: 4373800 -160.115 125.149 7.65763 188.842 -114.409 -127.394 -60.9601 -0.575515 100.687 PRESSAVG: 4373800 -31.1981 53.766 38.5647 53.7661 -18.5535 -12.1637 38.5646 -12.1637 53.9319 GPRESSAVG: 4373800 -30.23 55.0417 37.7734 54.2819 -19.4835 -10.8265 40.7994 -13.0253 54.2977 TIMING: 4373800 CPU: 12708.8, 0.00292237/step Wall: 12708.8, 0.00292237/step, 0.50833 hours remaining, 208.542969 MB of memory in use. ENERGY: 4373800 760.7996 2058.5956 1947.8129 117.3162 -206069.2064 17828.9686 0.0000 0.0000 34133.3741 -149222.3394 298.0952 -183355.7136 -149126.3000 298.9427 -91.8462 -57.9454 558840.9001 1.3934 1.5281 PRESSURE: 4374000 -246.003 37.9237 66.4493 37.9244 -170.929 86.6106 66.4485 86.6108 136.899 GPRESSURE: 4374000 -213.6 89.9452 32.8257 -53.7818 -135.381 55.7219 68.846 132.237 160.218 PRESSAVG: 4374000 -45.2543 32.4757 22.4476 32.4757 15.4706 -3.41239 22.4475 -3.41248 34.2862 GPRESSAVG: 4374000 -45.9112 31.2397 24.3415 33.3184 15.7603 -2.38612 20.9758 -4.61187 34.3884 TIMING: 4374000 CPU: 12709.4, 0.00291266/step Wall: 12709.4, 0.00291266/step, 0.50648 hours remaining, 208.542969 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: 4374000 721.1393 2017.7263 1970.3360 110.4836 -206171.1929 17798.6446 0.0000 0.0000 34356.2911 -149196.5720 300.0420 -183552.8631 -149093.4305 298.7716 -93.3443 -62.9210 558774.0281 1.5008 1.4125 PRESSURE: 4374200 -75.7805 -170.558 5.78652 -170.557 -123.468 -157.027 5.78669 -157.029 59.5299 GPRESSURE: 4374200 -34.9273 -183.626 -23.0863 -123.628 -74.9601 -94.6632 32.6085 -301.004 69.822 PRESSAVG: 4374200 -8.82091 -5.96449 -14.828 -5.96454 -18.4108 14.662 -14.8281 14.6619 16.0116 GPRESSAVG: 4374200 -7.07163 -4.97531 -14.5021 -4.60696 -19.3865 13.6953 -14.9574 15.3064 15.3355 TIMING: 4374200 CPU: 12710, 0.00288356/step Wall: 12710, 0.00288356/step, 0.501259 hours remaining, 208.542969 MB of memory in use. ENERGY: 4374200 756.9266 2116.6900 1973.5030 107.0665 -206024.7476 17591.0263 0.0000 0.0000 34262.7655 -149216.7697 299.2253 -183479.5352 -149117.6948 298.4852 -46.5727 -13.3551 555875.3304 -3.7400 -3.7075 PRESSURE: 4374400 -155.739 115.019 -128.401 115.018 -158.533 88.648 -128.401 88.6478 29.2262 GPRESSURE: 4374400 -124.255 86.4597 -178.648 140.043 -121.956 76.402 -173.581 88.4669 58.8086 PRESSAVG: 4374400 -41.1974 54.3377 41.0261 54.3377 18.3956 19.8783 41.026 19.8784 57.5569 GPRESSAVG: 4374400 -42.4863 52.7023 39.0388 52.1584 19.812 20.4344 42.4208 19.0318 58.0833 TIMING: 4374400 CPU: 12710.6, 0.00285922/step Wall: 12710.6, 0.00285922/step, 0.496869 hours remaining, 208.656250 MB of memory in use. ENERGY: 4374400 764.0305 2033.7912 1957.4950 116.1843 -205958.8813 17549.4931 0.0000 0.0000 34236.6711 -149301.2160 298.9974 -183537.8871 -149200.1960 298.3496 -95.0154 -62.4674 556597.9076 11.5850 11.8030 PRESSURE: 4374600 82.9702 17.7337 53.8932 17.7331 -65.1961 -65.7813 53.8922 -65.7802 56.031 GPRESSURE: 4374600 60.8946 -90.9486 36.8149 -10.4955 3.72966 -14.2369 60.2233 -43.9782 112.295 PRESSAVG: 4374600 -81.816 -9.34679 0.551995 -9.34683 53.2762 32.852 0.552058 32.8521 28.1374 GPRESSAVG: 4374600 -82.5198 -9.57406 2.64364 -7.6966 53.8956 34.0671 -1.1064 33.4703 28.9103 TIMING: 4374600 CPU: 12711.1, 0.00286588/step Wall: 12711.1, 0.00286588/step, 0.497866 hours remaining, 208.656250 MB of memory in use. ENERGY: 4374600 720.6283 2012.7106 1931.2559 128.9171 -205655.1836 17524.9190 0.0000 0.0000 34116.2327 -149220.5200 297.9455 -183336.7527 -149124.3274 298.9589 24.6017 58.9731 555348.5124 -0.1342 0.0954 PRESSURE: 4374800 -132.482 -25.4306 66.1618 -25.4296 -80.5718 104.968 66.1614 104.967 -57.716 GPRESSURE: 4374800 -52.5739 -77.5885 84.4521 41.7821 -42.5989 74.8862 27.1385 98.9871 -75.4385 PRESSAVG: 4374800 -3.68997 -31.855 22.8867 -31.855 42.6196 -15.8513 22.8867 -15.8513 -22.067 GPRESSAVG: 4374800 -2.4862 -30.38 22.3003 -32.5084 42.2216 -15.0121 23.8253 -15.9871 -22.9222 TIMING: 4374800 CPU: 12711.7, 0.00287531/step Wall: 12711.7, 0.00287531/step, 0.499345 hours remaining, 208.656250 MB of memory in use. ENERGY: 4374800 748.6458 2117.2347 1973.5992 113.5440 -205955.2502 17615.5899 0.0000 0.0000 34141.9714 -149244.6653 298.1703 -183386.6367 -149150.8757 299.2139 -90.2565 -56.8704 555383.2507 5.6209 5.6044 PRESSURE: 4375000 -291.551 -100.628 118.985 -100.628 -43.7267 -150.756 118.984 -150.756 -39.0831 GPRESSURE: 4375000 -186.956 -99.1611 65.5786 -78.279 -6.37047 -113.21 199.906 -152.39 -67.1904 PRESSAVG: 4375000 6.03098 20.9267 21.2889 20.9268 -16.5501 -29.81 21.2889 -29.8101 -5.54405 GPRESSAVG: 4375000 7.16835 19.484 20.4636 21.9205 -17.3696 -29.1745 21.3052 -30.4541 -5.31628 TIMING: 4375000 CPU: 12712.3, 0.00288969/step Wall: 12712.3, 0.00288969/step, 0.501683 hours remaining, 208.656250 MB of memory in use. ENERGY: 4375000 777.0655 2064.7413 1955.7728 111.1936 -206065.5664 17641.0148 0.0000 0.0000 34211.7667 -149304.0117 298.7799 -183515.7784 -149209.9920 298.9389 -124.7870 -86.8391 556707.6729 -5.3544 -5.1725 PRESSURE: 4375200 6.29013 82.8937 -184.21 82.8938 -40.895 9.13483 -184.208 9.13569 -102.609 GPRESSURE: 4375200 24.5297 61.7554 -161.048 139.346 4.1288 3.53573 -195.881 45.4133 -67.8927 PRESSAVG: 4375200 -17.9933 101.558 57.8426 101.558 77.5635 -50.3227 57.8425 -50.3226 -10.2088 GPRESSAVG: 4375200 -19.2145 101.85 57.4012 101.209 78.6711 -51.9721 58.2054 -50.8876 -9.98018 TIMING: 4375200 CPU: 12712.9, 0.00288407/step Wall: 12712.9, 0.00288407/step, 0.500546 hours remaining, 208.656250 MB of memory in use. ENERGY: 4375200 735.4207 2126.4737 1931.2360 102.9868 -206186.0458 17797.5903 0.0000 0.0000 33985.6103 -149506.7281 296.8048 -183492.3384 -149400.9485 298.6583 -45.7381 -13.0781 558288.8544 16.4538 16.4921 PRESSURE: 4375400 -145.078 36.1788 -42.074 36.1784 -381.697 -101.211 -42.0741 -101.21 -3.52038 GPRESSURE: 4375400 -129.657 20.1161 -121.351 49.8395 -327.661 -76.584 -81.117 -153.327 13.9749 PRESSAVG: 4375400 -41.1996 15.1739 -8.19807 15.1739 10.0258 -20.5006 -8.19804 -20.5005 91.8357 GPRESSAVG: 4375400 -40.2846 17.2243 -9.50669 12.8018 9.36555 -21.7863 -8.36211 -17.7389 91.4228 TIMING: 4375400 CPU: 12713.5, 0.00288487/step Wall: 12713.5, 0.00288487/step, 0.500525 hours remaining, 208.656250 MB of memory in use. ENERGY: 4375400 720.0637 2151.6550 1935.3627 120.0209 -206274.1539 17661.7611 0.0000 0.0000 34068.9203 -149616.3701 297.5324 -183685.2904 -149522.1423 298.2507 -176.7650 -147.7808 558951.2039 20.2206 20.1679 PRESSURE: 4375600 10.1391 65.93 -119.572 65.9308 256.033 -147.098 -119.573 -147.098 -141.826 GPRESSURE: 4375600 74.8345 34.296 -62.3139 -28.6405 269.226 -167.298 -155.696 -210.907 -117.47 PRESSAVG: 4375600 -63.4738 -2.57691 -18.6945 -2.57685 54.4964 -9.64289 -18.6946 -9.64288 -3.4329 GPRESSAVG: 4375600 -64.4763 -3.9182 -17.3863 -0.77542 54.8424 -8.82991 -18.9624 -13.1463 -2.94838 TIMING: 4375600 CPU: 12714, 0.00288599/step Wall: 12714, 0.00288599/step, 0.500558 hours remaining, 208.656250 MB of memory in use. ENERGY: 4375600 732.2421 2128.3995 1959.8540 103.9165 -206450.0157 17956.2631 0.0000 0.0000 34121.4831 -149447.8574 297.9914 -183569.3405 -149354.1031 297.9287 41.4488 75.5304 557913.7050 -4.1367 -4.1941 PRESSURE: 4375800 -140.811 8.67617 -94.6792 8.67483 -2.97355 98.1801 -94.6792 98.1806 -56.3767 GPRESSURE: 4375800 -139.655 43.7661 -105.687 -101.447 82.5484 79.796 -145.883 152.449 -41.7202 PRESSAVG: 4375800 -82.1379 -25.3547 -51.9249 -25.3546 34.2556 31.1968 -51.9247 31.1969 62.1266 GPRESSAVG: 4375800 -81.7363 -27.5168 -52.4554 -23.8357 34.9946 30.5026 -52.1376 33.3385 61.5441 TIMING: 4375800 CPU: 12714.6, 0.00288286/step Wall: 12714.6, 0.00288286/step, 0.499856 hours remaining, 208.656250 MB of memory in use. ENERGY: 4375800 689.3841 2067.9096 1957.3857 110.6118 -206212.8103 17626.9511 0.0000 0.0000 34312.8865 -149447.6815 299.6630 -183760.5680 -149348.3067 298.6726 -66.7206 -32.9424 557294.5205 4.7481 4.9341 PRESSURE: 4376000 -258.754 -164.962 -3.25144 -164.962 -69.1757 89.3536 -3.24949 89.3536 300.055 GPRESSURE: 4376000 -242.123 -199.67 -0.117345 -71.4376 0.136885 62.9154 23.1573 127.524 307.565 PRESSAVG: 4376000 -57.3946 -6.52737 -43.1405 -6.52734 61.2345 23.9132 -43.1404 23.9133 35.0481 GPRESSAVG: 4376000 -56.796 -6.48565 -41.1239 -5.43691 62.1103 23.9682 -42.2185 23.6548 33.8509 TIMING: 4376000 CPU: 12715.2, 0.00290464/step Wall: 12715.2, 0.00290464/step, 0.50347 hours remaining, 208.656250 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: 4376000 714.7218 2058.0421 1949.8571 121.7992 -206149.2386 17861.2641 0.0000 0.0000 34184.6125 -149258.9419 298.5427 -183443.5544 -149159.7277 298.8447 -9.2913 21.8597 558229.4775 12.9626 13.0550 PRESSURE: 4376200 -91.4617 -41.297 -80.585 -41.2966 -7.35501 -36.3949 -80.5854 -36.3948 226.566 GPRESSURE: 4376200 -93.0041 -43.3971 -159.513 -137.839 65.5443 -45.2406 -68.3917 18.274 241.005 PRESSAVG: 4376200 -14.0586 33.9191 -22.6199 33.9191 39.333 7.04421 -22.6198 7.04428 -13.3373 GPRESSAVG: 4376200 -13.7745 33.5148 -24.627 31.9702 38.0089 7.01199 -21.5824 6.6398 -12.5588 TIMING: 4376200 CPU: 12715.8, 0.00289831/step Wall: 12715.8, 0.00289831/step, 0.502212 hours remaining, 208.656250 MB of memory in use. ENERGY: 4376200 763.6093 2122.1572 1952.3435 119.1900 -206342.1573 18050.7144 0.0000 0.0000 34218.8643 -149115.2785 298.8419 -183334.1428 -149021.9925 299.2748 42.5832 71.1816 558242.0130 3.9790 3.8919 LDB: ============= START OF LOAD BALANCING ============== 12719.2 LDB: ============== END OF LOAD BALANCING =============== 12719.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12719.2 LDB: ============= START OF LOAD BALANCING ============== 12719.5 LDB: Largest compute 4848 load 0.025320 is 21.5% of average load 0.117817 LDB: Average compute 0.001737 is 1.5% of average load 0.117817 LDB: TIME 12719.5 LOAD: AVG 0.117817 MAX 0.180434 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 12719.5 LOAD: AVG 0.117817 MAX 0.180434 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.973 MB LDB: TIME 12719.5 LOAD: AVG 0.117817 MAX 0.180434 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.973 MB LDB: ============== END OF LOAD BALANCING =============== 12719.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12719.5 PRESSURE: 4376400 -178.076 54.0799 6.0429 54.0789 59.2938 103.346 6.04232 103.346 -27.2163 GPRESSURE: 4376400 -123.617 -38.1753 50.8974 122.634 106.596 121.977 53.1989 44.2704 -36.5372 PRESSAVG: 4376400 -39.2243 -20.6422 18.4203 -20.6422 8.46065 -5.33765 18.4203 -5.33751 19.8311 GPRESSAVG: 4376400 -40.9774 -19.2276 18.2517 -20.5884 8.7571 -4.53619 18.2104 -5.21352 20.2757 TIMING: 4376400 CPU: 12716.4, 0.00295459/step Wall: 12716.4, 0.00295459/step, 0.511801 hours remaining, 207.355469 MB of memory in use. ENERGY: 4376400 740.9183 2082.5767 1955.3684 111.9463 -206296.3979 17788.1343 0.0000 0.0000 34575.1944 -149042.2595 301.9538 -183617.4539 -148943.2963 299.6840 -48.6661 -17.8527 557918.1176 -3.6442 -3.9815 PRESSURE: 4376600 -46.6788 -55.5389 -104.386 -55.5383 59.1505 -10.8762 -104.385 -10.8757 331.589 GPRESSURE: 4376600 23.0146 -77.0116 -45.0645 -8.86756 80.5734 31.4434 -190.312 -13.4562 338.879 PRESSAVG: 4376600 -9.27735 14.6103 -30.266 14.6103 -18.4616 -7.58723 -30.266 -7.58718 -1.30048 GPRESSAVG: 4376600 -6.97541 14.7051 -28.5277 14.5537 -20.0774 -7.66306 -30.0977 -6.6285 -1.95456 TIMING: 4376600 CPU: 12716.9, 0.00289817/step Wall: 12716.9, 0.00289817/step, 0.501866 hours remaining, 207.355469 MB of memory in use. ENERGY: 4376600 745.7755 2089.0552 1973.5288 138.3353 -206117.2659 18093.2372 0.0000 0.0000 34145.1154 -148932.2184 298.1978 -183077.3338 -148847.6768 299.5085 114.6870 147.4891 558840.5392 -9.6798 -9.6691 PRESSURE: 4376800 133.017 -4.72184 -167.796 -4.72187 -199.066 67.9655 -167.795 67.9646 -259.127 GPRESSURE: 4376800 149.585 32.7228 -76.6009 -48.8328 -211.766 126.819 -191.59 5.18162 -162.748 PRESSAVG: 4376800 20.392 -60.6463 -55.5451 -60.6462 -36.0501 11.2641 -55.5451 11.2641 40.21 GPRESSAVG: 4376800 19.0863 -60.6104 -55.5626 -61.1429 -35.5672 11.8179 -56.0228 8.83867 40.6875 TIMING: 4376800 CPU: 12717.5, 0.00287544/step Wall: 12717.5, 0.00287544/step, 0.497771 hours remaining, 207.355469 MB of memory in use. ENERGY: 4376800 767.4030 2097.9363 1925.7800 108.0840 -206310.1883 17892.6452 0.0000 0.0000 34459.0503 -149059.2896 300.9395 -183518.3399 -148962.0362 299.7860 -108.3922 -74.9761 557552.4613 8.1840 8.0689 PRESSURE: 4377000 -199.682 209.509 -75.0448 209.509 -98.7148 -68.1709 -75.0461 -68.1715 137.258 GPRESSURE: 4377000 -201.76 327.019 -39.4399 98.6858 -42.778 -86.6751 -101.772 25.051 179.828 PRESSAVG: 4377000 22.3731 -1.51014 32.9014 -1.51026 -23.8308 -4.26499 32.9015 -4.26493 26.4105 GPRESSAVG: 4377000 22.8606 -2.91728 32.6634 -0.423152 -23.836 -4.11815 31.8167 -5.18128 26.3189 TIMING: 4377000 CPU: 12718.1, 0.0029079/step Wall: 12718.1, 0.0029079/step, 0.503228 hours remaining, 207.355469 MB of memory in use. ENERGY: 4377000 782.2741 2086.7350 1982.9942 101.3809 -206045.3623 17841.6914 0.0000 0.0000 34221.7578 -149028.5289 298.8671 -183250.2867 -148928.3257 299.6341 -53.7129 -21.5701 557223.7739 8.3176 8.4478 PRESSURE: 4377200 137.705 67.3586 61.9807 67.3566 -57.9226 152.58 61.9809 152.581 75.3387 GPRESSURE: 4377200 211.14 126.043 -20.8675 29.6537 -7.1364 88.3457 67.4435 135.928 51.3462 PRESSAVG: 4377200 10.6397 41.0899 27.2492 41.0899 -6.64988 -22.1098 27.2492 -22.1096 -37.0455 GPRESSAVG: 4377200 10.9873 42.3204 26.9134 41.0916 -6.4823 -21.5881 27.4358 -21.2942 -37.4567 TIMING: 4377200 CPU: 12718.7, 0.00288708/step Wall: 12718.7, 0.00288708/step, 0.499465 hours remaining, 207.355469 MB of memory in use. ENERGY: 4377200 790.1229 2045.3163 1934.7377 121.6276 -206352.0735 17927.3286 0.0000 0.0000 34474.8701 -149058.0701 301.0776 -183532.9403 -148958.7684 299.5985 51.7070 85.1166 558016.7144 -11.0186 -10.9839 PRESSURE: 4377400 128.476 -149.81 -175.735 -149.809 -148.424 258.754 -175.735 258.755 173.284 GPRESSURE: 4377400 160.871 -134.003 -178.209 -176.471 -120.193 259.472 -93.7513 255.335 209.859 PRESSAVG: 4377400 57.6112 19.2129 18.2226 19.213 -44.0202 10.1843 18.2226 10.1843 -4.15934 GPRESSAVG: 4377400 56.8784 18.3857 18.0163 18.6649 -44.0411 8.30537 21.1818 10.5992 -3.40219 TIMING: 4377400 CPU: 12719.3, 0.00290488/step Wall: 12719.3, 0.00290488/step, 0.502383 hours remaining, 207.425781 MB of memory in use. ENERGY: 4377400 764.3703 2044.9638 1958.2013 117.3330 -205895.3812 17682.4854 0.0000 0.0000 34371.4383 -148956.5891 300.1743 -183328.0274 -148853.1172 300.2210 51.1122 83.5123 557905.0750 3.1439 3.1450 PRESSURE: 4377600 135.668 -26.2235 -58.3197 -26.2249 222.521 78.7989 -58.3197 78.7976 200.468 GPRESSURE: 4377600 140 -39.9821 -93.3514 -63.4376 229.846 57.0459 28.9856 96.7984 275.53 PRESSAVG: 4377600 -22.789 18.3577 -9.30903 18.3577 4.92973 -25.1429 -9.30899 -25.143 39.0401 GPRESSAVG: 4377600 -21.6067 18.8887 -8.92627 17.7081 3.95579 -24.2634 -11.5019 -25.7806 38.7382 TIMING: 4377600 CPU: 12719.8, 0.00289881/step Wall: 12719.8, 0.00289881/step, 0.501173 hours remaining, 207.425781 MB of memory in use. ENERGY: 4377600 730.5644 2048.6717 1997.8382 111.6960 -206277.1265 17935.7011 0.0000 0.0000 34347.4328 -149105.2223 299.9647 -183452.6551 -149005.7377 299.8182 186.2190 215.1255 557187.7826 7.0603 7.0291 PRESSURE: 4377800 271.958 -85.4688 34.3399 -85.4689 -325.479 57.1021 34.3411 57.101 -85.4629 GPRESSURE: 4377800 302.805 -69.133 58.7109 -97.5029 -313.44 -11.4909 3.68421 -12.0189 -28.4083 PRESSAVG: 4377800 18.3209 -33.0554 -25.9076 -33.0554 -26.4607 44.1265 -25.9075 44.1264 18.304 GPRESSAVG: 4377800 17.5446 -34.371 -27.3964 -30.2986 -25.3058 43.0809 -26.0497 44.5192 18.1116 TIMING: 4377800 CPU: 12720.4, 0.00289103/step Wall: 12720.4, 0.00289103/step, 0.499667 hours remaining, 207.425781 MB of memory in use. ENERGY: 4377800 756.5588 2083.4901 1972.3525 113.8426 -206266.8061 17825.8221 0.0000 0.0000 34391.0873 -149123.6527 300.3459 -183514.7400 -149033.5396 299.7814 -46.3279 -13.0143 558049.5800 3.3881 3.4501 PRESSURE: 4378000 -25.2216 43.8276 5.36524 43.8277 -287.987 20.01 5.36463 20.0109 82.836 GPRESSURE: 4378000 18.3319 97.3515 11.4039 -41.7318 -206.411 4.75616 -48.1397 -40.1685 64.7498 PRESSAVG: 4378000 30.4868 -2.85563 -44.9236 -2.85552 -33.4546 4.48555 -44.9236 4.48565 -33.8606 GPRESSAVG: 4378000 30.2973 -1.32173 -43.1809 -4.34356 -33.073 6.22026 -46.4306 4.06977 -34.2594 TIMING: 4378000 CPU: 12721, 0.00290414/step Wall: 12721, 0.00290414/step, 0.50177 hours remaining, 207.425781 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: 4378000 716.8424 2074.7804 1928.8215 122.1771 -205746.7643 17676.2682 0.0000 0.0000 34086.7022 -149141.1725 297.6876 -183227.8748 -149043.5894 299.8701 -76.7910 -41.1096 559840.0643 -12.2762 -12.3450 PRESSURE: 4378200 12.5683 74.2445 -116.407 74.2445 215.346 130.51 -116.405 130.508 -288.438 GPRESSURE: 4378200 49.5722 88.7313 -141.783 42.0885 270.683 194.864 -42.0107 77.1403 -260.398 PRESSAVG: 4378200 -10.2243 -25.4273 -54.4241 -25.4273 -45.5851 9.87332 -54.4241 9.87331 76.7643 GPRESSAVG: 4378200 -9.34408 -26.4486 -54.0736 -25.5635 -45.99 11.0036 -53.5177 7.77394 76.4732 TIMING: 4378200 CPU: 12721.6, 0.00288715/step Wall: 12721.6, 0.00288715/step, 0.498675 hours remaining, 207.425781 MB of memory in use. ENERGY: 4378200 744.5906 2093.8160 1987.1486 115.4861 -206066.6998 17711.0558 0.0000 0.0000 34362.4617 -149052.1411 300.0959 -183414.6029 -148958.1930 299.6540 -20.1744 19.9521 557830.5846 6.9850 7.0464 PRESSURE: 4378400 48.9741 -166.656 7.77293 -166.656 -50.3611 55.0156 7.77423 55.0162 15.7013 GPRESSURE: 4378400 61.7214 -182.129 -42.5538 -183.838 48.1811 -17.1782 36.8001 43.7514 6.02356 PRESSAVG: 4378400 40.8244 21.7397 23.2176 21.7397 -31.8401 -11.5011 23.2176 -11.5011 -20.8598 GPRESSAVG: 4378400 40.479 21.6435 22.3507 22.3817 -31.8386 -12.3418 23.9082 -8.04267 -20.1297 TIMING: 4378400 CPU: 12722.1, 0.00288753/step Wall: 12722.1, 0.00288753/step, 0.498581 hours remaining, 207.425781 MB of memory in use. ENERGY: 4378400 766.8347 2072.0324 1962.2394 118.7764 -205966.4916 17813.7269 0.0000 0.0000 34164.4309 -149068.4509 298.3665 -183232.8818 -148971.1179 299.9566 4.7714 38.6420 557561.5884 -3.9585 -3.8298 PRESSURE: 4378600 41.5423 -91.7874 -146.028 -91.7872 -316.362 -50.7148 -146.029 -50.7159 -100.044 GPRESSURE: 4378600 79.0051 -4.83422 -93.0588 -210.191 -268.006 -66.0056 -149.812 -82.3655 -81.7676 PRESSAVG: 4378600 31.6576 -46.7788 -15.7679 -46.7788 5.7837 43.8321 -15.7679 43.832 -34.3945 GPRESSAVG: 4378600 32.0691 -44.3009 -15.1483 -49.0792 6.57865 44.0371 -16.3918 44.238 -35.5081 TIMING: 4378600 CPU: 12722.7, 0.00288327/step Wall: 12722.7, 0.00288327/step, 0.497684 hours remaining, 207.425781 MB of memory in use. ENERGY: 4378600 785.7692 2114.0776 1934.8336 116.4502 -205966.9811 17645.3032 0.0000 0.0000 34251.6819 -149118.8654 299.1285 -183370.5473 -149022.9768 299.4491 -124.9542 -90.2561 557704.9087 1.0156 1.0466 PRESSURE: 4378800 -327.677 238.505 -11.551 238.505 76.9323 -20.9312 -11.5518 -20.9315 -21.4613 GPRESSURE: 4378800 -325.648 181.687 -34.3755 132.05 170.494 -30.7129 -25.0354 18.8959 -32.9918 PRESSAVG: 4378800 -7.91012 4.65643 6.38847 4.65641 47.5247 28.1415 6.38845 28.1415 -60.4818 GPRESSAVG: 4378800 -9.89997 3.53674 6.87604 4.63787 47.1306 28.2491 4.73456 27.3896 -58.5532 TIMING: 4378800 CPU: 12723.3, 0.00287936/step Wall: 12723.3, 0.00287936/step, 0.496849 hours remaining, 207.425781 MB of memory in use. ENERGY: 4378800 785.7843 2076.6170 1929.8036 106.0922 -205815.7539 17664.3591 0.0000 0.0000 34191.0711 -149062.0267 298.5991 -183253.0978 -148965.5301 299.5213 -90.7352 -62.7153 556783.5603 -6.9557 -7.1075 PRESSURE: 4379000 -40.9016 -10.7441 -161.052 -10.7436 53.5305 8.49113 -161.051 8.49011 -105.872 GPRESSURE: 4379000 18.2891 -40.8603 -160.824 -27.7141 75.8592 -98.7581 -59.4143 73.5427 -89.9434 PRESSAVG: 4379000 33.1311 26.4832 -38.4568 26.4832 -19.5063 84.9106 -38.4567 84.9108 -35.1059 GPRESSAVG: 4379000 33.4834 24.7509 -38.8269 28.1042 -19.005 84.4639 -35.63 85.5635 -35.4115 TIMING: 4379000 CPU: 12723.9, 0.00290097/step Wall: 12723.9, 0.00290097/step, 0.500417 hours remaining, 207.425781 MB of memory in use. ENERGY: 4379000 783.5914 2101.1321 1965.4407 122.2371 -205925.5001 17740.5334 0.0000 0.0000 34256.2499 -148956.3157 299.1684 -183212.5655 -148866.4862 300.0726 -31.0811 1.4017 557904.4107 -7.1604 -6.9777 PRESSURE: 4379200 174.418 -142.203 -23.5576 -142.204 -4.09784 -134.42 -23.5597 -134.42 -142.278 GPRESSURE: 4379200 172.637 -209.092 -50.8435 -83.5722 75.7441 -71.6261 -74.7323 -144.951 -132.57 PRESSAVG: 4379200 18.1693 -32.3066 -40.1659 -32.3066 39.1197 43.7432 -40.1659 43.7433 -57.0967 GPRESSAVG: 4379200 18.6375 -31.6342 -38.437 -30.9646 39.1825 42.0163 -42.6196 41.8498 -57.878 TIMING: 4379200 CPU: 12724.5, 0.00290035/step Wall: 12724.5, 0.00290035/step, 0.50015 hours remaining, 207.425781 MB of memory in use. ENERGY: 4379200 747.2409 2099.8652 1934.1379 102.3979 -206328.8808 17911.4331 0.0000 0.0000 34447.4011 -149086.4047 300.8377 -183533.8058 -148981.2383 300.1304 9.3475 38.6038 558561.9924 0.0641 -0.0193 PRESSURE: 4379400 -92.064 230.641 67.4183 230.642 -198.449 50.9996 67.4192 50.9972 121.706 GPRESSURE: 4379400 -87.9629 269.841 57.5944 218.83 -192.469 61.7298 75.8759 -12.0318 198.546 PRESSAVG: 4379400 -8.20198 -16.8119 16.4762 -16.812 -23.4367 -7.29103 16.4763 -7.29105 -9.92116 GPRESSAVG: 4379400 -8.38266 -13.7876 14.896 -20.4518 -25.1566 -5.66799 16.7174 -6.88653 -8.4548 TIMING: 4379400 CPU: 12725, 0.00289668/step Wall: 12725, 0.00289668/step, 0.499356 hours remaining, 207.425781 MB of memory in use. ENERGY: 4379400 732.7450 2164.0477 1967.9038 118.3405 -206141.1278 17702.3776 0.0000 0.0000 34287.2237 -149168.4895 299.4389 -183455.7132 -149073.0370 300.0986 -56.2691 -27.2954 556538.0125 -13.8533 -13.9980 PRESSURE: 4379600 203.81 -27.2833 -128.281 -27.2832 -35.1193 -89.7472 -128.282 -89.747 -159.036 GPRESSURE: 4379600 204.411 -39.4458 -164.867 30.6783 -9.05906 -89.5058 -63.376 -79.753 -86.733 PRESSAVG: 4379600 33.0343 4.35166 -33.4711 4.35167 5.67601 29.2994 -33.4711 29.2994 -31.4155 GPRESSAVG: 4379600 32.6395 1.09513 -34.8968 7.0391 6.16348 28.7674 -32.5103 30.8277 -30.8379 TIMING: 4379600 CPU: 12725.6, 0.00289773/step Wall: 12725.6, 0.00289773/step, 0.499376 hours remaining, 207.425781 MB of memory in use. ENERGY: 4379600 747.9951 2083.9917 1969.8207 115.9939 -206204.5248 17810.6860 0.0000 0.0000 34341.3086 -149134.7288 299.9112 -183476.0374 -149038.4046 298.9691 3.2185 36.2064 556422.8191 2.4316 2.6550 PRESSURE: 4379800 198.719 146.348 -104.894 146.346 22.5789 -4.68094 -104.894 -4.68059 -205.455 GPRESSURE: 4379800 234.27 238.014 -60.3921 65.06 46.8518 103.408 -153.545 -19.9539 -171.149 PRESSAVG: 4379800 53.4819 -12.648 -41.2932 -12.648 40.905 -35.8592 -41.2932 -35.8591 -38.5886 GPRESSAVG: 4379800 52.5143 -12.7251 -41.0712 -12.3166 42.3803 -34.8257 -39.7119 -37.9659 -38.906 TIMING: 4379800 CPU: 12726.2, 0.00290014/step Wall: 12726.2, 0.00290014/step, 0.49963 hours remaining, 207.425781 MB of memory in use. ENERGY: 4379800 736.7218 2126.5293 1924.1239 114.4869 -206268.9430 17843.3185 0.0000 0.0000 34319.2091 -149204.5534 299.7182 -183523.7625 -149108.1911 299.5309 5.2809 36.6576 556401.4863 18.5994 18.6629 PRESSURE: 4380000 -315.15 -7.43332 -47.6465 -7.43264 67.4892 5.09646 -47.6459 5.09727 -68.7608 GPRESSURE: 4380000 -289.456 -7.39235 -128.785 -15.6251 101.53 -48.4886 -7.00266 -25.7412 -43.2145 PRESSAVG: 4380000 12.2527 -1.77002 -19.6943 -1.76996 50.3173 -18.2998 -19.6942 -18.2998 -56.9162 GPRESSAVG: 4380000 12.9113 0.475089 -19.4877 -4.80695 49.4736 -18.7222 -21.1391 -16.7434 -56.3969 TIMING: 4380000 CPU: 12726.8, 0.00289114/step Wall: 12726.8, 0.00289114/step, 0.497918 hours remaining, 207.425781 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: 4380000 752.1003 2136.7496 1959.3465 101.9026 -205716.6081 17526.9790 0.0000 0.0000 34247.3380 -148992.1922 299.0905 -183239.5302 -148903.5526 299.4971 -105.4738 -77.0468 557060.3233 1.8846 1.9960 PRESSURE: 4380200 18.2844 59.0437 -83.5611 59.0427 19.6984 17.4114 -83.5609 17.4117 109.261 GPRESSURE: 4380200 37.4826 11.0831 -17.5596 117.811 77.7523 42.3383 -136.784 -26.3191 141.232 PRESSAVG: 4380200 -14.9447 3.16665 37.6856 3.16659 36.619 -29.6116 37.6857 -29.6114 1.95993 GPRESSAVG: 4380200 -13.7699 2.82753 37.9423 5.22395 35.4241 -27.8869 37.7676 -32.7175 1.95495 TIMING: 4380200 CPU: 12727.4, 0.00289309/step Wall: 12727.4, 0.00289309/step, 0.498093 hours remaining, 207.425781 MB of memory in use. ENERGY: 4380200 740.9686 2065.9499 1941.9044 113.7243 -206107.4635 17846.1987 0.0000 0.0000 34461.8623 -148936.8554 300.9640 -183398.7177 -148836.7442 299.5613 49.0812 85.4890 557264.6695 7.8781 7.8697 LDB: ============= START OF LOAD BALANCING ============== 12730.8 LDB: ============== END OF LOAD BALANCING =============== 12730.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12730.8 LDB: ============= START OF LOAD BALANCING ============== 12731.1 LDB: Largest compute 4848 load 0.026145 is 22.2% of average load 0.117823 LDB: Average compute 0.001741 is 1.5% of average load 0.117823 LDB: TIME 12731.1 LOAD: AVG 0.117823 MAX 0.179449 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 12731.1 LOAD: AVG 0.117823 MAX 0.179449 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: TIME 12731.1 LOAD: AVG 0.117823 MAX 0.179449 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12731.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12731.1 Info: useSync: 0 useProxySync: 0 PRESSURE: 4380400 -271.837 91.296 -109.544 91.295 -194.728 53.7968 -109.545 53.7968 -107.218 GPRESSURE: 4380400 -225.703 135.223 -64.5523 56.7847 -193.053 79.3864 -126.42 32.7386 -54.6874 PRESSAVG: 4380400 -4.34689 45.2756 -31.7707 45.2755 35.4954 16.0842 -31.7706 16.0843 -29.6193 GPRESSAVG: 4380400 -5.19941 43.9512 -30.8426 45.3742 36.6959 12.2016 -32.8814 20.7901 -30.2654 TIMING: 4380400 CPU: 12727.9, 0.00293102/step Wall: 12727.9, 0.00293102/step, 0.504461 hours remaining, 205.871094 MB of memory in use. ENERGY: 4380400 774.3092 2086.5908 1970.6027 113.4515 -205913.8563 17748.5897 0.0000 0.0000 34353.0655 -148867.2469 300.0139 -183220.3124 -148772.2524 300.4400 -191.2607 -157.8145 560232.6991 0.5097 0.4104 PRESSURE: 4380600 127.091 117.512 -104.424 117.511 -289.743 98.827 -104.423 98.8282 -56.3796 GPRESSURE: 4380600 144.516 83.2791 -93.9769 186.472 -282.536 118.114 -92.1009 80.7959 26.1342 PRESSAVG: 4380600 11.4257 84.8549 1.33498 84.855 4.94388 19.9674 1.33497 19.9674 28.9447 GPRESSAVG: 4380600 11.9461 88.2881 2.27687 82.9169 5.38187 20.8263 2.13262 18.4232 28.6104 TIMING: 4380600 CPU: 12728.5, 0.00289604/step Wall: 12728.5, 0.00289604/step, 0.49828 hours remaining, 205.871094 MB of memory in use. ENERGY: 4380600 728.4247 2067.8422 1938.7292 104.0838 -205945.1494 17676.1887 0.0000 0.0000 34339.4917 -149090.3892 299.8953 -183429.8809 -148995.2273 299.4879 -73.0106 -37.2953 559241.6084 15.1048 15.3128 PRESSURE: 4380800 -77.5054 -130 -132.79 -130 -54.085 53.0547 -132.791 53.0559 -147.003 GPRESSURE: 4380800 -61.7272 -191.336 -67.7949 -85.5156 -36.1581 51.6658 -118.403 -16.8355 -85.4467 PRESSAVG: 4380800 39.3574 -6.70729 -7.77919 -6.70734 -58.2815 -0.498058 -7.77912 -0.498153 11.5153 GPRESSAVG: 4380800 39.0002 -9.39361 -7.64438 -4.03857 -58.4192 2.18149 -8.16515 -1.95078 11.9577 TIMING: 4380800 CPU: 12729.1, 0.00289266/step Wall: 12729.1, 0.00289266/step, 0.497538 hours remaining, 205.871094 MB of memory in use. ENERGY: 4380800 741.8487 2078.1603 1935.9347 112.1234 -206004.7455 17752.1136 0.0000 0.0000 34326.9776 -149057.5872 299.7860 -183384.5648 -148954.5797 299.8303 -92.8643 -61.1107 559945.9750 -2.4696 -2.4871 PRESSURE: 4381000 135.852 168.955 78.6052 168.956 -148.873 272.5 78.6063 272.501 124.38 GPRESSURE: 4381000 212.256 148.295 33.1141 177.192 -130.134 197.879 67.271 316.8 133.229 PRESSAVG: 4381000 76.4941 45.2918 -64.2409 45.2917 -72.2019 49.3408 -64.2408 49.3408 20.6321 GPRESSAVG: 4381000 77.2899 46.9052 -65.52 43.903 -72.1163 47.1784 -64.8676 50.2991 20.3557 TIMING: 4381000 CPU: 12729.7, 0.00289556/step Wall: 12729.7, 0.00289556/step, 0.497875 hours remaining, 205.871094 MB of memory in use. ENERGY: 4381000 729.2712 2042.0952 1943.3168 109.7378 -206288.3005 18147.1784 0.0000 0.0000 34278.9596 -149037.7415 299.3667 -183316.7012 -148938.9002 299.6143 37.1196 71.7836 559101.9519 8.3081 8.5098 PRESSURE: 4381200 -62.1433 -97.6944 62.2689 -97.6942 70.2287 167.448 62.2676 167.447 -212.648 GPRESSURE: 4381200 -0.37872 -80.8542 54.0124 -114.61 24.2641 170.477 171.642 102.925 -139.878 PRESSAVG: 4381200 12.1566 -29.9901 -3.33711 -29.9901 -22.0171 28.034 -3.33714 28.0341 26.6454 GPRESSAVG: 4381200 12.1473 -30.6684 -1.58071 -28.5378 -21.5315 27.0222 -3.40447 27.8071 26.8528 TIMING: 4381200 CPU: 12730.3, 0.00290868/step Wall: 12730.3, 0.00290868/step, 0.499969 hours remaining, 206.074219 MB of memory in use. ENERGY: 4381200 761.1340 2112.9608 1973.6543 102.8623 -206194.2973 17881.8687 0.0000 0.0000 34135.2380 -149226.5793 298.1115 -183361.8173 -149128.1525 299.2233 -68.1875 -38.6641 558789.2423 5.5950 5.8229 PRESSURE: 4381400 -335.205 -40.9916 7.67828 -40.9903 -38.9688 -7.14456 7.67829 -7.14267 -53.7011 GPRESSURE: 4381400 -304.505 -92.5232 64.7568 -93.5071 -29.1684 -3.97512 -18.723 10.123 0.508712 PRESSAVG: 4381400 -12.6432 4.29862 -61.3465 4.29859 61.1338 -22.1255 -61.3464 -22.1254 -53.4027 GPRESSAVG: 4381400 -11.6843 4.84812 -64.3554 3.50543 60.2289 -21.6691 -59.1251 -21.9512 -53.869 TIMING: 4381400 CPU: 12730.8, 0.00290883/step Wall: 12730.8, 0.00290883/step, 0.499834 hours remaining, 206.074219 MB of memory in use. ENERGY: 4381400 740.1100 2091.6554 1955.7459 140.0713 -206307.7005 17775.7557 0.0000 0.0000 34281.1973 -149323.1649 299.3862 -183604.3623 -149229.8142 298.9503 -142.6251 -111.0548 559426.0549 -1.6374 -1.7748 PRESSURE: 4381600 7.31459 78.1988 -140.369 78.1998 34.9474 -47.9275 -140.369 -47.9268 50.0044 GPRESSURE: 4381600 17.6746 74.1453 -197.622 125.801 95.6967 44.5681 -76.7833 1.20726 67.762 PRESSAVG: 4381600 -61.9744 31.0828 10.7706 31.0828 33.9544 -16.7564 10.7706 -16.7563 39.7646 GPRESSAVG: 4381600 -63.6373 29.4553 12.8019 31.6153 35.1244 -14.5824 9.47438 -17.0442 40.1011 TIMING: 4381600 CPU: 12731.4, 0.00290279/step Wall: 12731.4, 0.00290279/step, 0.498635 hours remaining, 206.074219 MB of memory in use. ENERGY: 4381600 735.0001 2102.6820 1969.4977 112.7141 -206015.8310 17750.0054 0.0000 0.0000 34103.3091 -149242.6226 297.8327 -183345.9317 -149146.0257 299.0357 30.7555 60.3777 557317.7854 3.9148 3.8627 PRESSURE: 4381800 -147.854 6.33328 -9.74656 6.33156 -377.079 39.5482 -9.74761 39.5487 40.2435 GPRESSURE: 4381800 -73.6373 108.596 -68.6121 6.25336 -357.434 -16.6833 39.1353 41.9291 42.9915 PRESSAVG: 4381800 -41.9983 -2.12673 -22.3212 -2.12675 30.0136 -53.2646 -22.3212 -53.2645 26.9083 GPRESSAVG: 4381800 -41.5664 -1.42907 -23.3566 -2.48286 29.5596 -55.806 -21.176 -52.5625 26.8295 TIMING: 4381800 CPU: 12732, 0.00289765/step Wall: 12732, 0.00289765/step, 0.49759 hours remaining, 206.074219 MB of memory in use. ENERGY: 4381800 775.6256 2052.8219 1961.5030 108.8044 -206012.7828 17741.9543 0.0000 0.0000 34273.4422 -149098.6313 299.3185 -183372.0736 -149001.4572 299.4135 -161.5631 -129.3600 558632.2771 4.9746 4.9409 PRESSURE: 4382000 96.4286 134.228 48.1971 134.228 340.538 -57.1103 48.1966 -57.1093 300.605 GPRESSURE: 4382000 155.297 123.15 1.01476 146.167 386.768 -103.154 40.8176 -22.5155 294.906 PRESSAVG: 4382000 -59.7158 55.1807 -1.67599 55.1807 15.8181 -24.2118 -1.67605 -24.2116 2.01763 GPRESSAVG: 4382000 -60.0216 56.6021 0.0345002 54.3828 16.047 -23.3249 -3.73378 -26.4428 1.92355 TIMING: 4382000 CPU: 12732.6, 0.00287306/step Wall: 12732.6, 0.00287306/step, 0.493209 hours remaining, 206.074219 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: 4382000 732.9059 2096.3957 1937.3847 105.9509 -206655.4404 18288.0741 0.0000 0.0000 34367.0169 -149127.7122 300.1357 -183494.7291 -149034.4211 299.5413 245.8573 278.9901 557352.0955 -13.9600 -14.0170 PRESSURE: 4382200 -41.6399 183.917 54.361 183.917 -188.877 -40.0689 54.3619 -40.0684 155.328 GPRESSURE: 4382200 -32.763 163.979 89.546 122.401 -110.548 -29.593 35.8305 -32.7888 164.863 PRESSAVG: 4382200 -79.1946 13.6906 40.3659 13.6906 -6.00213 48.8942 40.3658 48.8942 82.9144 GPRESSAVG: 4382200 -78.6023 11.4358 39.6802 15.7171 -6.42457 49.2808 40.6301 51.8119 82.3978 TIMING: 4382200 CPU: 12733.2, 0.00288735/step Wall: 12733.2, 0.00288735/step, 0.495501 hours remaining, 206.074219 MB of memory in use. ENERGY: 4382200 714.5847 2132.9411 1954.5508 120.7672 -205488.0559 17534.9923 0.0000 0.0000 34097.8226 -148932.3971 297.7848 -183030.2197 -148839.2455 299.1257 -25.0631 7.1841 558753.5936 -0.7608 -0.8763 PRESSURE: 4382400 -72.3901 26.9425 8.56164 26.9419 -65.0559 30.5224 8.56182 30.5215 18.1323 GPRESSURE: 4382400 -23.738 -43.571 -33.1355 42.7229 -59.1455 -27.9806 -27.3757 60.8063 59.4854 PRESSAVG: 4382400 -19.6463 22.8899 -9.40075 22.8899 -13.6343 -23.4294 -9.40072 -23.4294 50.5385 GPRESSAVG: 4382400 -20.2121 25.3244 -9.27324 21.366 -14.5859 -23.9299 -9.84991 -25.0442 52.2079 TIMING: 4382400 CPU: 12733.7, 0.0028997/step Wall: 12733.7, 0.0028997/step, 0.49746 hours remaining, 206.074219 MB of memory in use. ENERGY: 4382400 739.3464 2054.0756 1929.0822 121.5213 -205868.1369 17838.1236 0.0000 0.0000 34265.6439 -148920.3439 299.2504 -183185.9877 -148827.5449 299.5507 -39.7712 -7.7994 559114.6946 5.7526 5.8033 PRESSURE: 4382600 -81.5196 -38.3792 -160.199 -38.3801 -114.379 -24.7755 -160.198 -24.7774 145.425 GPRESSURE: 4382600 -103.295 -85.7417 -162.117 8.63535 -72.0041 6.33053 -89.9632 -32.6609 219.336 PRESSAVG: 4382600 2.29498 -5.9789 -4.21785 -5.97893 6.38094 18.6648 -4.21775 18.6646 42.3343 GPRESSAVG: 4382600 3.56941 -7.37986 -2.73935 -5.39885 6.463 19.9317 -3.40257 18.4205 40.6397 TIMING: 4382600 CPU: 12734.3, 0.00291596/step Wall: 12734.3, 0.00291596/step, 0.500087 hours remaining, 206.074219 MB of memory in use. ENERGY: 4382600 716.1785 2075.9327 1946.8723 121.8583 -205738.7553 17638.1992 0.0000 0.0000 34348.5002 -148891.2142 299.9740 -183239.7144 -148787.8295 299.9207 -16.8244 14.6790 558920.9613 17.0034 16.8907 PRESSURE: 4382800 -108.089 -64.2534 -184.367 -64.2533 -343.08 -56.2534 -184.368 -56.2541 56.9992 GPRESSURE: 4382800 -103.257 -112.221 -145.361 -35.6978 -247.485 -43.7572 -173.573 -47.8868 43.9448 PRESSAVG: 4382800 20.8941 12.5371 24.42 12.5371 -45.5734 23.8518 24.4201 23.8518 29.6145 GPRESSAVG: 4382800 20.9047 13.006 23.2097 11.5898 -45.8913 21.2752 25.9333 24.8729 28.8286 TIMING: 4382800 CPU: 12734.9, 0.00291569/step Wall: 12734.9, 0.00291569/step, 0.499879 hours remaining, 206.074219 MB of memory in use. ENERGY: 4382800 754.3725 2065.9325 1972.2077 107.7991 -205600.2122 17424.6157 0.0000 0.0000 34355.8306 -148919.4541 300.0380 -183275.2846 -148826.1102 300.2597 -131.3901 -102.2657 558177.3030 1.6451 1.2807 PRESSURE: 4383000 -139.306 114.853 -81.6251 114.853 -44.639 144.787 -81.6266 144.786 -163.625 GPRESSURE: 4383000 -116.135 50.2886 -19.1122 56.6565 45.4269 156.369 -140.467 116.434 -180.728 PRESSAVG: 4383000 10.1198 44.5226 8.51306 44.5226 -35.2867 16.7488 8.51312 16.7488 47.1979 GPRESSAVG: 4383000 8.47893 44.1962 10.9763 46.1187 -34.9407 16.1271 6.31695 17.3968 48.4527 TIMING: 4383000 CPU: 12735.5, 0.00288529/step Wall: 12735.5, 0.00288529/step, 0.494507 hours remaining, 206.074219 MB of memory in use. ENERGY: 4383000 769.0400 2052.7337 1948.2194 112.1085 -205894.0679 17644.0863 0.0000 0.0000 34497.6705 -148870.2094 301.2767 -183367.8800 -148775.8192 300.3460 -115.8566 -83.8118 557156.4306 7.3437 7.3303 PRESSURE: 4383200 19.0268 27.0225 -102.499 27.0224 -56.1797 -0.108713 -102.498 -0.109045 93.5083 GPRESSURE: 4383200 51.5188 -41.3504 -54.5162 119.063 -61.5649 4.8194 -119.75 -50.8065 151.884 PRESSAVG: 4383200 -32.8179 28.9249 -30.8647 28.9249 -33.2551 12.7505 -30.8647 12.7505 85.2605 GPRESSAVG: 4383200 -32.8083 28.3919 -30.6726 26.8946 -32.3946 13.7772 -29.6151 12.8185 84.3008 TIMING: 4383200 CPU: 12736.1, 0.00289518/step Wall: 12736.1, 0.00289518/step, 0.496041 hours remaining, 206.074219 MB of memory in use. ENERGY: 4383200 802.8186 2013.1057 1958.4554 115.8550 -206178.6592 17839.5332 0.0000 0.0000 34465.4521 -148983.4393 300.9954 -183448.8914 -148887.4410 299.9795 18.7852 47.2792 557286.6708 6.3958 6.3660 PRESSURE: 4383400 106.874 150.441 64.273 150.441 8.27834 -97.5186 64.2721 -97.519 -32.3807 GPRESSURE: 4383400 64.3379 154.219 82.2659 84.3462 53.0028 -97.6735 174.421 -101.921 66.7758 PRESSAVG: 4383400 10.3232 -3.02515 -32.424 -3.02508 -27.5848 -70.0229 -32.4241 -70.0229 38.0208 GPRESSAVG: 4383400 10.665 -3.47785 -33.9844 -1.29222 -28.383 -69.3765 -31.8439 -73.0784 38.6958 TIMING: 4383400 CPU: 12736.6, 0.00289575/step Wall: 12736.6, 0.00289575/step, 0.495978 hours remaining, 206.074219 MB of memory in use. ENERGY: 4383400 759.2802 2028.5900 1970.1122 94.6386 -206026.5685 17714.7350 0.0000 0.0000 34216.6223 -149242.5902 298.8223 -183459.2125 -149145.0886 299.2322 27.5904 61.3722 554999.0953 6.9198 6.9926 PRESSURE: 4383600 164.306 -197.589 -74.5256 -197.589 -127.796 -126.481 -74.5234 -126.48 22.7771 GPRESSURE: 4383600 174.847 -53.1523 -130.902 -249.304 -100.263 -121.358 4.24728 -93.1727 77.7136 PRESSAVG: 4383600 55.326 -7.24889 -13.8641 -7.24896 -31.8972 -33.9835 -13.8641 -33.9835 -3.80486 GPRESSAVG: 4383600 56.0524 -7.40518 -14.8051 -7.7939 -32.6168 -34.0854 -14.7277 -34.0352 -4.31338 TIMING: 4383600 CPU: 12737.2, 0.00291656/step Wall: 12737.2, 0.00291656/step, 0.499379 hours remaining, 206.074219 MB of memory in use. ENERGY: 4383600 740.9819 2080.1615 1958.1758 106.2588 -206196.6161 17870.8878 0.0000 0.0000 34161.6244 -149278.5258 298.3420 -183440.1502 -149183.2066 298.8452 19.7622 50.7658 556858.5015 6.5413 6.3740 PRESSURE: 4383800 -266.786 -0.933875 93.899 -0.934356 -210.998 107.87 93.9004 107.868 -91.9004 GPRESSURE: 4383800 -247.991 8.90612 44.606 -86.2524 -142.037 174.951 75.3552 58.0285 -82.1537 PRESSAVG: 4383800 14.4201 12.025 15.7163 12.0251 -23.2823 -52.5529 15.7163 -52.5529 19.7419 GPRESSAVG: 4383800 14.6571 10.3931 16.9109 12.0393 -24.1651 -51.0082 16.8139 -51.5468 19.4444 TIMING: 4383800 CPU: 12737.8, 0.00292357/step Wall: 12737.8, 0.00292357/step, 0.500418 hours remaining, 206.074219 MB of memory in use. ENERGY: 4383800 769.2762 2113.5742 1944.0200 125.0767 -206160.5966 17658.8678 0.0000 0.0000 34190.2234 -149359.5584 298.5917 -183549.7818 -149261.9150 298.6714 -189.8947 -157.3940 557682.9274 3.6266 3.3122 PRESSURE: 4384000 -112.155 -143.256 -11.0369 -143.254 -180.214 214.28 -11.0369 214.279 -346.157 GPRESSURE: 4384000 -83.4072 -148.788 -1.84081 -140.267 -151.416 143.194 -67.5713 243.965 -313.303 PRESSAVG: 4384000 -19.7192 -23.937 -4.45759 -23.937 7.65538 -19.0184 -4.45754 -19.0183 49.7981 GPRESSAVG: 4384000 -21.2663 -21.3289 -3.69568 -25.3915 9.27636 -19.5925 -5.58771 -18.0743 50.042 TIMING: 4384000 CPU: 12738.4, 0.00289794/step Wall: 12738.4, 0.00289794/step, 0.49587 hours remaining, 206.074219 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: 4384000 755.7718 2065.0155 1942.1993 121.3337 -205779.2081 17367.4518 0.0000 0.0000 34206.7825 -149320.6535 298.7363 -183527.4360 -149222.1157 298.7042 -212.8423 -182.7088 557338.6392 12.5781 12.6840 PRESSURE: 4384200 274.105 -258.432 9.93255 -258.433 0.636722 -131.733 9.93316 -131.732 -168.435 GPRESSURE: 4384200 296.464 -302.49 19.4156 -251.289 6.75092 -122.185 1.8595 -92.143 -97.9991 PRESSAVG: 4384200 39.5573 -8.16397 -32.6879 -8.16398 33.6381 -14.764 -32.6878 -14.764 -67.7981 GPRESSAVG: 4384200 40.3912 -8.25021 -34.7134 -7.97394 33.4166 -16.9011 -32.7526 -14.9302 -67.821 TIMING: 4384200 CPU: 12739, 0.00287795/step Wall: 12739, 0.00287795/step, 0.492289 hours remaining, 206.074219 MB of memory in use. ENERGY: 4384200 750.8241 2053.7668 1942.0664 117.6492 -206593.6348 18101.4271 0.0000 0.0000 34335.7485 -149292.1527 299.8626 -183627.9012 -149192.7313 299.0945 35.4354 68.4053 556386.8945 1.7991 1.9956 LDB: ============= START OF LOAD BALANCING ============== 12742.4 LDB: ============== END OF LOAD BALANCING =============== 12742.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12742.4 LDB: ============= START OF LOAD BALANCING ============== 12742.7 LDB: Largest compute 4848 load 0.027501 is 23.3% of average load 0.117786 LDB: Average compute 0.001736 is 1.5% of average load 0.117786 LDB: TIME 12742.7 LOAD: AVG 0.117786 MAX 0.181242 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 12742.7 LOAD: AVG 0.117786 MAX 0.181242 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: TIME 12742.7 LOAD: AVG 0.117786 MAX 0.181242 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12742.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12742.7 PRESSURE: 4384400 183.303 -167.444 71.4232 -167.445 92.3193 58.7744 71.424 58.7757 228.531 GPRESSURE: 4384400 212.361 -170.066 114.187 -151.202 179.509 56.5536 28.7578 92.3241 216.051 PRESSAVG: 4384400 49.5363 -24.4339 19.6292 -24.4339 -21.3579 -38.0484 19.6293 -38.0484 -18.4059 GPRESSAVG: 4384400 49.0374 -27.3782 19.7643 -22.2856 -22.4552 -37.7131 20.2472 -39.4416 -16.7957 TIMING: 4384400 CPU: 12739.5, 0.00294107/step Wall: 12739.5, 0.00294107/step, 0.502923 hours remaining, 207.535156 MB of memory in use. ENERGY: 4384400 742.1915 2095.6134 1945.1754 95.6346 -206335.1648 18089.9415 0.0000 0.0000 34208.2959 -149158.3125 298.7496 -183366.6084 -149065.4243 298.5084 168.0511 202.6403 556347.0297 3.2575 3.2622 PRESSURE: 4384600 78.7002 -235.136 36.3909 -235.135 -178.242 85.8217 36.3909 85.8215 126.372 GPRESSURE: 4384600 83.8573 -256.237 -4.39835 -252.34 -91.6148 95.8096 56.3542 85.2603 126.629 PRESSAVG: 4384600 35.7782 -13.6686 2.5328 -13.6687 -72.7924 -8.94473 2.53281 -8.94474 7.71959 GPRESSAVG: 4384600 35.5199 -10.234 5.5298 -16.5726 -71.022 -6.75822 0.681718 -8.84801 5.7152 TIMING: 4384600 CPU: 12740.1, 0.00287989/step Wall: 12740.1, 0.00287989/step, 0.4923 hours remaining, 207.605469 MB of memory in use. ENERGY: 4384600 741.7109 2106.7658 1965.3583 111.6608 -206448.5503 17973.3775 0.0000 0.0000 34183.6211 -149366.0559 298.5341 -183549.6770 -149276.9840 299.0619 8.9431 39.6237 556213.2838 -9.7649 -9.9290 PRESSURE: 4384800 125.003 -103.331 67.6299 -103.333 8.19824 -12.965 67.6295 -12.9668 37.5302 GPRESSURE: 4384800 131.103 -57.5877 42.1657 -107.336 87.6869 -24.245 100.851 -31.3689 65.0391 PRESSAVG: 4384800 -24.4475 -10.1118 -6.94846 -10.1119 30.851 -4.0705 -6.94848 -4.07038 -28.2614 GPRESSAVG: 4384800 -22.8267 -12.4013 -9.88039 -8.04471 30.5638 -4.94355 -4.2076 -2.79388 -29.0909 TIMING: 4384800 CPU: 12740.7, 0.00289026/step Wall: 12740.7, 0.00289026/step, 0.493913 hours remaining, 207.605469 MB of memory in use. ENERGY: 4384800 749.2537 2069.6005 1967.3486 105.4604 -206298.8186 17670.9987 0.0000 0.0000 34258.5251 -149477.6314 299.1882 -183736.1566 -149374.4587 298.3945 56.9104 94.6097 554451.8088 -7.2860 -7.1179 PRESSURE: 4385000 202.136 17.2182 111.279 17.2183 17.6317 -10.8117 111.277 -10.8122 68.5213 GPRESSURE: 4385000 185.624 17.1637 215.792 17.1919 104.538 -20.1525 24.6367 40.0536 91.6057 PRESSAVG: 4385000 -29.1947 41.8962 -19.3702 41.8962 70.1575 34.1714 -19.3702 34.1713 -33.6337 GPRESSAVG: 4385000 -29.5528 42.9681 -17.766 40.7043 69.1251 33.6627 -19.6278 34.1895 -32.2423 TIMING: 4385000 CPU: 12741.3, 0.00289979/step Wall: 12741.3, 0.00289979/step, 0.495381 hours remaining, 207.605469 MB of memory in use. ENERGY: 4385000 728.1986 2110.4745 1943.3040 110.4315 -206021.6860 17801.1184 0.0000 0.0000 34058.3771 -149269.7819 297.4403 -183328.1590 -149167.4752 298.8682 96.0964 127.2556 556385.3308 2.4430 2.4433 PRESSURE: 4385200 -95.6622 -118.118 -239.809 -118.118 36.6334 71.4148 -239.81 71.4158 -142.6 GPRESSURE: 4385200 -36.2018 -151.157 -159.784 -126.953 54.84 122.763 -251.372 72.692 -112.787 PRESSAVG: 4385200 37.5284 -23.6021 -40.0504 -23.602 46.4082 32.9374 -40.0504 32.9373 -70.8059 GPRESSAVG: 4385200 35.3529 -23.266 -41.1837 -22.4433 47.8496 32.3253 -41.0161 31.3945 -70.1808 TIMING: 4385200 CPU: 12741.9, 0.00288664/step Wall: 12741.9, 0.00288664/step, 0.492974 hours remaining, 207.605469 MB of memory in use. ENERGY: 4385200 726.4503 2090.7894 1937.8362 120.6479 -205931.1058 17482.9085 0.0000 0.0000 34261.0042 -149311.4693 299.2099 -183572.4735 -149211.1608 299.7233 -67.2096 -31.3831 555685.5538 4.3769 4.3406 PRESSURE: 4385400 140.938 -19.2723 -12.8338 -19.2726 183.353 30.8752 -12.8328 30.8743 72.7292 GPRESSURE: 4385400 175.504 -120.587 49.8925 25.877 200.45 20.7443 15.0508 25.4843 123.825 PRESSAVG: 4385400 24.8907 -11.8757 44.567 -11.8757 -10.6016 52.8346 44.567 52.8347 11.1299 GPRESSAVG: 4385400 25.6361 -12.5738 46.1413 -11.0048 -11.5687 54.2512 44.5955 54.7951 11.5824 TIMING: 4385400 CPU: 12742.4, 0.00290339/step Wall: 12742.4, 0.00290339/step, 0.495673 hours remaining, 207.605469 MB of memory in use. ENERGY: 4385400 733.0769 2014.7144 1963.5650 102.2758 -206751.5584 17992.9811 0.0000 0.0000 34545.8735 -149399.0717 301.6977 -183944.9452 -149298.2570 299.2228 132.3399 166.5929 553946.8966 8.4730 8.5499 PRESSURE: 4385600 -146.444 159.593 12.0534 159.594 -330.261 -95.5712 12.0542 -95.5708 -360.395 GPRESSURE: 4385600 -132.862 111.861 -48.0593 149.243 -271.144 -50.3131 83.3572 -117.452 -332.462 PRESSAVG: 4385600 77.6313 8.51874 -12.7726 8.51868 -67.6657 7.18422 -12.7726 7.1842 -28.6523 GPRESSAVG: 4385600 77.0567 8.91681 -13.0978 8.83354 -67.0752 5.69873 -12.9007 6.53678 -28.192 TIMING: 4385600 CPU: 12743, 0.00291406/step Wall: 12743, 0.00291406/step, 0.497333 hours remaining, 207.605469 MB of memory in use. ENERGY: 4385600 737.0353 2071.4189 1922.0327 103.3812 -205784.7603 17424.6123 0.0000 0.0000 34088.6055 -149437.6745 297.7043 -183526.2800 -149333.9780 298.4782 -279.0336 -245.4895 557258.2233 -6.2289 -6.0702 PRESSURE: 4385800 58.5458 134.512 14.6028 134.512 327.176 -94.4062 14.6025 -94.4068 299.247 GPRESSURE: 4385800 120.898 195.218 -4.89508 144.036 339.637 -95.3398 27.2234 -91.8749 317.8 PRESSAVG: 4385800 39.7046 10.579 40.3544 10.579 40.0715 9.74925 40.3544 9.74917 -41.2347 GPRESSAVG: 4385800 41.0621 8.938 39.5282 9.27808 38.0586 11.5864 40.2612 8.12674 -40.9858 TIMING: 4385800 CPU: 12743.6, 0.00291029/step Wall: 12743.6, 0.00291029/step, 0.496528 hours remaining, 207.605469 MB of memory in use. ENERGY: 4385800 712.6266 2075.2016 1947.5682 98.6495 -206524.0701 18052.4340 0.0000 0.0000 34119.0557 -149518.5345 297.9702 -183637.5902 -149426.7708 298.3654 228.3232 259.4449 556298.7581 12.8472 12.7116 PRESSURE: 4386000 181.896 15.7394 -16.0736 15.7414 73.8026 -216.432 -16.0729 -216.432 82.1075 GPRESSURE: 4386000 168.172 71.5794 -0.843855 26.4165 88.5707 -251.462 44.9285 -144.078 166.016 PRESSAVG: 4386000 -1.59741 46.064 -29.8919 46.064 -20.3526 -9.25526 -29.8919 -9.25536 39.5892 GPRESSAVG: 4386000 -2.83373 49.1793 -26.8665 44.5679 -18.3903 -9.89421 -31.6093 -8.40659 39.5698 TIMING: 4386000 CPU: 12744.2, 0.00291068/step Wall: 12744.2, 0.00291068/step, 0.496433 hours remaining, 207.605469 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: 4386000 742.2064 2023.4722 1972.0108 114.6600 -206378.2471 17889.4585 0.0000 0.0000 33958.3163 -149678.1229 296.5664 -183636.4393 -149582.2046 298.0483 112.6021 140.9197 554220.5761 5.8797 6.1153 PRESSURE: 4386200 53.6043 32.7283 77.4397 32.7278 97.3013 -34.2666 77.4399 -34.2659 -91.6068 GPRESSURE: 4386200 78.394 -10.2937 -19.381 -9.68897 173.267 42.5609 92.0944 24.8891 -84.5535 PRESSAVG: 4386200 -25.4418 -0.987013 -6.67817 -0.98697 -6.28022 -69.1115 -6.67813 -69.1115 0.0532134 GPRESSAVG: 4386200 -23.8552 -2.97751 -8.66343 2.11359 -7.63803 -66.991 -4.63793 -69.333 0.127848 TIMING: 4386200 CPU: 12744.8, 0.00290181/step Wall: 12744.8, 0.00290181/step, 0.494759 hours remaining, 207.605469 MB of memory in use. ENERGY: 4386200 723.3336 2105.9323 1948.6789 109.5765 -206438.8031 17766.0366 0.0000 0.0000 34250.1945 -149535.0507 299.1155 -183785.2452 -149436.2649 298.2419 19.7663 55.7025 556513.5967 -10.5563 -10.4551 PRESSURE: 4386400 -213.409 167.433 193.971 167.433 -78.0947 40.0233 193.971 40.024 -140.928 GPRESSURE: 4386400 -155.3 137.247 118.043 141.55 -38.3298 73.8152 268.579 -74.3282 -139.397 PRESSAVG: 4386400 -20.8509 19.5944 -19.2532 19.5944 36.001 -12.896 -19.2532 -12.8959 24.3668 GPRESSAVG: 4386400 -21.3358 19.9386 -19.1861 18.4205 36.8299 -12.9472 -20.6366 -14.6663 23.8908 TIMING: 4386400 CPU: 12745.3, 0.00288491/step Wall: 12745.3, 0.00288491/step, 0.491717 hours remaining, 207.605469 MB of memory in use. ENERGY: 4386400 740.1717 2074.8793 1928.7096 108.2637 -206268.9513 17653.7603 0.0000 0.0000 34202.6470 -149560.5197 298.7002 -183763.1667 -149466.1872 298.1243 -144.1438 -111.0091 558390.5416 13.1723 13.1283 PRESSURE: 4386600 66.2185 149.013 -66.6567 149.013 -100.988 32.2311 -66.6562 32.2294 -115.728 GPRESSURE: 4386600 105.347 163.42 63.8823 68.3617 -71.1281 13.6941 -95.2206 21.6585 -84.6733 PRESSAVG: 4386600 15.2056 -42.3667 25.7138 -42.3667 24.9292 17.5482 25.7139 17.5483 -48.5854 GPRESSAVG: 4386600 15.0011 -42.2675 25.6328 -42.0978 24.3956 15.4185 26.7595 20.3761 -47.916 TIMING: 4386600 CPU: 12745.9, 0.00289023/step Wall: 12745.9, 0.00289023/step, 0.492464 hours remaining, 207.605469 MB of memory in use. ENERGY: 4386600 755.5797 2071.8615 1964.9264 112.6562 -206602.8351 17955.5719 0.0000 0.0000 34093.9506 -149648.2889 297.7510 -183742.2394 -149549.2639 297.8280 -50.1658 -16.8180 557840.9320 -2.8169 -2.8398 PRESSURE: 4386800 137.29 34.483 10.2069 34.4831 61.6512 -32.9393 10.2072 -32.9393 -9.60913 GPRESSURE: 4386800 191.416 80.9951 19.6412 -45.8218 51.5307 -37.6771 41.6786 -32.3057 35.1895 PRESSAVG: 4386800 -22.4207 -9.6879 12.1082 -9.68792 -17.9814 17.4286 12.1083 17.4287 15.4053 GPRESSAVG: 4386800 -20.9088 -11.1113 12.7429 -10.7579 -18.8471 18.108 12.7236 16.5496 14.5762 TIMING: 4386800 CPU: 12746.5, 0.00286872/step Wall: 12746.5, 0.00286872/step, 0.488639 hours remaining, 207.605469 MB of memory in use. ENERGY: 4386800 728.0066 2072.8792 1954.4730 98.5789 -206387.6521 17923.9518 0.0000 0.0000 34106.6201 -149503.1425 297.8616 -183609.7625 -149406.8119 298.1210 63.1107 92.7121 557699.8908 -8.3323 -8.3932 PRESSURE: 4387000 67.4825 -131.518 135.769 -131.517 66.0151 -41.7996 135.77 -41.7986 10.9531 GPRESSURE: 4387000 82.173 -148.799 167.542 -76.1762 126.029 -22.3632 124.948 -33.6854 25.0845 PRESSAVG: 4387000 72.7135 -41.3936 6.15996 -41.3936 -52.9983 -11.2903 6.15993 -11.2903 1.64095 GPRESSAVG: 4387000 70.902 -41.1963 5.20021 -40.7025 -51.7231 -10.6181 5.94424 -12.0789 2.28711 TIMING: 4387000 CPU: 12747.1, 0.00289875/step Wall: 12747.1, 0.00289875/step, 0.493592 hours remaining, 207.605469 MB of memory in use. ENERGY: 4387000 733.5198 2080.7252 1934.5054 103.6960 -206420.8172 17948.8592 0.0000 0.0000 34069.5699 -149549.9416 297.5380 -183619.5116 -149457.5077 298.6106 48.1502 77.7620 556143.5558 7.1187 7.1553 PRESSURE: 4387200 -114.086 7.05461 -176.112 7.05455 -205.63 -169.546 -176.112 -169.546 -63.0211 GPRESSURE: 4387200 -141.379 4.40528 -194.723 15.2606 -143.868 -138.051 -184.854 -187.425 -12.5155 PRESSAVG: 4387200 49.3961 -23.7298 -2.38494 -23.7296 -143.379 -2.45952 -2.3849 -2.45944 78.0848 GPRESSAVG: 4387200 49.5764 -23.6263 -1.70028 -25.5141 -143.625 -1.96087 -3.80185 -2.5213 77.8285 TIMING: 4387200 CPU: 12747.7, 0.00289611/step Wall: 12747.7, 0.00289611/step, 0.492982 hours remaining, 207.605469 MB of memory in use. ENERGY: 4387200 775.3108 2058.7163 1951.0631 114.8940 -206441.8671 17883.8544 0.0000 0.0000 34395.1733 -149262.8553 300.3816 -183658.0286 -149160.0941 298.5318 -127.5792 -99.2544 557263.9692 -5.2994 -5.4068 PRESSURE: 4387400 124.932 15.0224 0.466483 15.0226 -40.231 -4.83333 0.464566 -4.83272 -282.791 GPRESSURE: 4387400 83.8939 35.626 -37.32 42.5822 1.04037 -46.6936 28.336 -2.77576 -173.936 PRESSAVG: 4387400 60.192 27.2059 7.82979 27.2059 -73.4008 -44.1963 7.82972 -44.1963 10.2445 GPRESSAVG: 4387400 60.445 27.3989 8.59168 30.0647 -73.817 -45.2773 8.42782 -45.1285 10.212 TIMING: 4387400 CPU: 12748.2, 0.00288596/step Wall: 12748.2, 0.00288596/step, 0.491094 hours remaining, 207.605469 MB of memory in use. ENERGY: 4387400 719.1440 2069.1230 1957.1491 116.0311 -206121.5136 17690.5324 0.0000 0.0000 34220.1406 -149349.3935 298.8530 -183569.5341 -149260.5764 299.5070 -66.0300 -29.6671 556730.2505 -0.9881 -1.0533 PRESSURE: 4387600 194.92 14.2911 139.373 14.2921 297.611 -17.4119 139.373 -17.4118 -18.6002 GPRESSURE: 4387600 218.99 60.7999 150.537 19.7655 317.943 45.7531 110.478 -27.9731 31.4536 PRESSAVG: 4387600 23.89 22.0296 1.27351 22.0296 50.8459 -13.764 1.27366 -13.764 -58.9625 GPRESSAVG: 4387600 23.619 23.4957 0.673624 21.7786 50.1832 -15.2998 2.24119 -11.5993 -58.3032 TIMING: 4387600 CPU: 12748.8, 0.00290784/step Wall: 12748.8, 0.00290784/step, 0.494655 hours remaining, 207.773438 MB of memory in use. ENERGY: 4387600 747.0053 1992.1303 1951.4742 111.2178 -206550.0025 18072.2857 0.0000 0.0000 34244.8817 -149431.0075 299.0691 -183675.8893 -149341.2947 298.5328 157.9767 189.4621 557834.6425 5.2578 5.1663 PRESSURE: 4387800 -67.8177 28.5116 -126.288 28.5117 233.527 -161.863 -126.287 -161.865 -94.1643 GPRESSURE: 4387800 -12.5915 1.9496 -154.999 22.851 286.411 -130.744 -98.9009 -92.8013 -95.289 PRESSAVG: 4387800 24.2757 -15.588 12.6156 -15.5881 34.9084 -79.9817 12.6157 -79.9817 -71.1028 GPRESSAVG: 4387800 25.1944 -15.8752 12.3042 -17.0531 35.5606 -77.1258 11.6685 -80.4178 -72.537 TIMING: 4387800 CPU: 12749.4, 0.00289427/step Wall: 12749.4, 0.00289427/step, 0.492186 hours remaining, 207.773438 MB of memory in use. ENERGY: 4387800 733.8116 2040.3107 1913.7715 114.6656 -206299.2331 17943.5652 0.0000 0.0000 34085.5798 -149467.5286 297.6778 -183553.1085 -149372.1005 297.5965 23.8482 59.5100 557583.2287 -3.9729 -3.9274 PRESSURE: 4388000 -242.392 28.039 -3.88017 28.0389 5.7982 75.7028 -3.87918 75.7 -189.135 GPRESSURE: 4388000 -191.869 38.7528 -6.42203 52.6893 57.8099 -52.0917 2.12343 70.5692 -210.14 PRESSAVG: 4388000 -15.0443 -8.72444 -11.1436 -8.72448 109.688 -7.47709 -11.1436 -7.47706 -104.576 GPRESSAVG: 4388000 -16.5589 -8.38991 -12.6726 -8.13661 110.707 -10.0624 -9.9135 -6.83162 -103.83 TIMING: 4388000 CPU: 12750, 0.00289651/step Wall: 12750, 0.00289651/step, 0.492407 hours remaining, 207.773438 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: 4388000 782.1739 2063.7041 1981.9393 110.7925 -205972.2081 17692.3691 0.0000 0.0000 33968.3705 -149372.8586 296.6542 -183341.2292 -149278.2437 297.8319 -141.9096 -114.7332 557477.1622 -3.3109 -3.2275 PRESSURE: 4388200 13.0878 -57.8775 -19.1775 -57.8776 56.432 96.8352 -19.1775 96.8342 -12.8297 GPRESSURE: 4388200 -6.17302 28.1861 -5.0147 -86.7795 94.4249 80.1849 -6.81599 88.4365 62.6817 PRESSAVG: 4388200 -12.3242 -12.2754 -17.7102 -12.2755 38.134 -11.4345 -17.7103 -11.4345 -8.25272 GPRESSAVG: 4388200 -11.8597 -11.0218 -16.0401 -13.5221 38.0058 -11.7157 -19.3707 -11.0544 -9.0893 TIMING: 4388200 CPU: 12750.5, 0.00289246/step Wall: 12750.5, 0.00289246/step, 0.491558 hours remaining, 207.773438 MB of memory in use. ENERGY: 4388200 714.5735 2074.9484 1952.2834 112.0157 -205863.4948 17669.7979 0.0000 0.0000 34242.6576 -149097.2184 299.0496 -183339.8760 -148996.0117 299.1280 18.8967 50.3112 556505.9359 5.8524 5.6856 LDB: ============= START OF LOAD BALANCING ============== 12754 LDB: ============== END OF LOAD BALANCING =============== 12754 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12754 LDB: ============= START OF LOAD BALANCING ============== 12754.3 LDB: Largest compute 4848 load 0.029712 is 25.2% of average load 0.117766 LDB: Average compute 0.001735 is 1.5% of average load 0.117766 LDB: TIME 12754.3 LOAD: AVG 0.117766 MAX 0.180057 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.148 MB LDB: TIME 12754.3 LOAD: AVG 0.117766 MAX 0.180057 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: TIME 12754.3 LOAD: AVG 0.117766 MAX 0.180057 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12754.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12754.3 PRESSURE: 4388400 -129.815 -128.762 -7.44436 -128.762 -14.2161 -159.888 -7.44416 -159.888 -42.4158 GPRESSURE: 4388400 -93.7596 -68.3114 11.687 -189.181 37.3654 -175.852 -56.4649 -221.978 -23.1989 PRESSAVG: 4388400 -1.18668 2.30846 -48.5849 2.30844 73.9726 -57.122 -48.5849 -57.1219 -57.0796 GPRESSAVG: 4388400 -1.67419 1.02254 -47.2295 2.38921 74.6034 -56.3064 -49.7594 -58.0382 -56.9098 TIMING: 4388400 CPU: 12751.1, 0.00295453/step Wall: 12751.1, 0.00295453/step, 0.501942 hours remaining, 207.671875 MB of memory in use. ENERGY: 4388400 744.2294 2025.3148 1948.1298 119.7286 -206149.3458 17770.3015 0.0000 0.0000 34318.9020 -149222.7397 299.7155 -183541.6417 -149127.3760 299.7849 -62.1490 -26.5311 557135.6287 5.2354 5.3398 PRESSURE: 4388600 -168.855 95.933 121.112 95.9324 134.996 121.52 121.112 121.519 -102.034 GPRESSURE: 4388600 -60.1817 77.2669 116.96 110.243 125.299 84.9636 87.3267 209.014 -96.615 PRESSAVG: 4388600 -4.81694 29.0215 -12.5606 29.0215 45.3373 10.9364 -12.5606 10.9365 -57.316 GPRESSAVG: 4388600 -4.80418 28.5668 -14.155 29.4509 45.5092 11.7955 -11.7121 10.554 -57.8403 TIMING: 4388600 CPU: 12751.7, 0.00289397/step Wall: 12751.7, 0.00289397/step, 0.491492 hours remaining, 207.875000 MB of memory in use. ENERGY: 4388600 735.2883 2039.6842 1939.5136 107.4823 -206234.7369 17738.7653 0.0000 0.0000 34522.1619 -149151.8412 301.4906 -183674.0031 -149048.4778 299.1289 -45.2974 -10.4994 556916.2251 -5.5986 -5.7117 PRESSURE: 4388800 196.859 73.259 -86.5523 73.2589 140.841 115.11 -86.5534 115.108 -27.737 GPRESSURE: 4388800 236.328 135.14 -92.214 70.8053 154.925 52.7638 -81.0879 206.503 21.1606 PRESSAVG: 4388800 6.53515 18.8411 -79.7057 18.8411 -30.7191 30.44 -79.7057 30.4399 38.2736 GPRESSAVG: 4388800 7.26146 18.2735 -79.5067 18.0529 -32.1693 31.4645 -79.7805 32.1042 39.499 TIMING: 4388800 CPU: 12752.3, 0.00290398/step Wall: 12752.3, 0.00290398/step, 0.493031 hours remaining, 207.875000 MB of memory in use. ENERGY: 4388800 782.3572 2082.2020 1961.7040 109.3052 -206017.5294 18031.7932 0.0000 0.0000 33997.8981 -149052.2696 296.9121 -183050.1677 -148965.0703 299.1866 103.3209 137.4711 557176.9601 4.6966 4.8637 PRESSURE: 4389000 124.157 154.174 -74.3859 154.173 11.6128 -7.72456 -74.3847 -7.72373 -140.228 GPRESSURE: 4389000 119.632 86.8448 -71.8428 211.821 60.7701 -75.7452 -67.7259 -9.65883 -90.748 PRESSAVG: 4389000 -37.9007 54.8287 -19.2584 54.8286 26.081 -10.7166 -19.2585 -10.7166 -10.9773 GPRESSAVG: 4389000 -38.5044 54.1063 -18.5241 57.4691 26.1982 -11.8214 -18.0301 -10.9764 -10.3491 TIMING: 4389000 CPU: 12752.9, 0.00289492/step Wall: 12752.9, 0.00289492/step, 0.491331 hours remaining, 207.875000 MB of memory in use. ENERGY: 4389000 758.7079 2064.7425 1956.3088 116.9153 -206214.2845 17878.4707 0.0000 0.0000 34426.6926 -149012.4468 300.6569 -183439.1394 -148912.0727 299.6061 -1.4860 29.8847 555988.4277 -7.5990 -7.5517 PRESSURE: 4389200 -27.9175 -125.637 -5.85929 -125.636 196.588 210.77 -5.85857 210.769 29.8378 GPRESSURE: 4389200 43.2596 -75.5616 -73.7158 -117.113 222.231 183.626 10.9165 211.821 27.8731 PRESSAVG: 4389200 8.21224 -2.27901 -61.2975 -2.27905 21.5229 38.5053 -61.2975 38.5053 -11.2142 GPRESSAVG: 4389200 9.2623 -0.126578 -62.1768 -3.66334 21.6146 39.5242 -61.4759 37.366 -11.6164 TIMING: 4389200 CPU: 12753.5, 0.00289449/step Wall: 12753.5, 0.00289449/step, 0.491098 hours remaining, 207.875000 MB of memory in use. ENERGY: 4389200 728.7972 2068.2120 1920.7841 125.0374 -206151.1013 17861.7850 0.0000 0.0000 34295.1096 -149151.3761 299.5077 -183446.4857 -149056.8645 299.9351 66.1695 97.7880 557421.5026 6.1736 6.4201 PRESSURE: 4389400 66.7757 -158.973 41.6547 -158.973 -92.6391 62.8896 41.6539 62.8902 13.1892 GPRESSURE: 4389400 67.0622 -114.224 95.3221 -138.917 -40.772 116.702 85.2955 -97.522 60.3402 PRESSAVG: 4389400 -2.97156 -29.2149 -13.5246 -29.2149 -38.5145 -25.204 -13.5247 -25.204 40.0538 GPRESSAVG: 4389400 -4.07562 -30.1991 -11.066 -29.267 -37.0424 -24.7538 -12.9714 -25.6824 40.5478 TIMING: 4389400 CPU: 12754, 0.00288201/step Wall: 12754, 0.00288201/step, 0.488821 hours remaining, 207.875000 MB of memory in use. ENERGY: 4389400 742.2480 2099.4247 1969.8893 117.1128 -205814.9518 17689.0276 0.0000 0.0000 34087.5933 -149109.6563 297.6954 -183197.2495 -149010.1195 299.4946 -4.2247 28.8768 558802.9567 -0.4774 -0.1901 PRESSURE: 4389600 -90.4485 37.419 -42.6706 37.4202 220.17 -115.887 -42.671 -115.886 177.516 GPRESSURE: 4389600 -87.0844 88.3653 -85.2814 -30.4211 312.028 -179.14 -19.6743 -88.887 173.232 PRESSAVG: 4389600 -19.189 -44.9561 1.03695 -44.9561 20.4887 -26.4059 1.03689 -26.4059 -38.5762 GPRESSAVG: 4389600 -18.7862 -45.94 0.566379 -44.591 20.1919 -27.8275 -0.143227 -26.0394 -39.2949 TIMING: 4389600 CPU: 12754.6, 0.00287471/step Wall: 12754.6, 0.00287471/step, 0.487423 hours remaining, 207.875000 MB of memory in use. ENERGY: 4389600 735.5570 2089.3848 1964.0488 119.3048 -206170.6505 17971.5702 0.0000 0.0000 34273.5522 -149017.2328 299.3195 -183290.7850 -148914.8273 298.9177 102.4122 132.7252 556863.1825 -12.4255 -12.6297 PRESSURE: 4389800 241.759 100.526 -189.785 100.526 83.8943 128.69 -189.786 128.69 190.553 GPRESSURE: 4389800 261.358 87.7537 -169.68 167.964 121.755 78.0082 -237.744 73.9433 219.691 PRESSAVG: 4389800 36.592 22.8315 -19.1463 22.8315 -48.3315 12.3705 -19.1464 12.3705 41.4803 GPRESSAVG: 4389800 37.5509 22.7707 -20.2341 23.0624 -49.8999 11.6887 -20.5658 12.7512 42.25 TIMING: 4389800 CPU: 12755.2, 0.00288859/step Wall: 12755.2, 0.00288859/step, 0.489615 hours remaining, 207.875000 MB of memory in use. ENERGY: 4389800 724.0478 2036.3381 1969.9116 122.4339 -206155.9863 18035.5072 0.0000 0.0000 34505.8460 -148761.9018 301.3481 -183267.7478 -148664.2681 299.9589 172.0689 200.9342 556611.4394 9.9136 9.9670 PRESSURE: 4390000 -77.6414 -50.4901 -80.3613 -50.4901 94.3838 -76.2125 -80.3613 -76.2125 57.2933 GPRESSURE: 4390000 -39.6677 -91.921 -72.0652 -21.4009 169.06 -40.9892 -123.283 -117.396 44.1628 PRESSAVG: 4390000 -16.3243 -9.82868 26.9669 -9.82875 -36.08 -24.9467 26.9669 -24.9469 47.7778 GPRESSAVG: 4390000 -16.9205 -10.0612 27.5289 -8.73866 -34.3034 -23.9879 30.4361 -24.4285 47.1447 TIMING: 4390000 CPU: 12755.8, 0.00288724/step Wall: 12755.8, 0.00288724/step, 0.489226 hours remaining, 207.875000 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: 4390000 718.8050 2070.3072 1958.3121 123.1024 -205845.9864 17753.7829 0.0000 0.0000 34465.2585 -148756.4183 300.9937 -183221.6768 -148663.4362 300.3930 24.6786 57.8519 556487.2295 -1.5422 -1.3597 PRESSURE: 4390200 -350.155 -167.069 69.7489 -167.069 50.1928 32.4085 69.7501 32.4082 331.62 GPRESSURE: 4390200 -297.829 -120.981 105.49 -110.409 133.723 78.1955 67.7294 20.3797 282.326 PRESSAVG: 4390200 -45.1986 23.4083 0.489452 23.4083 23.2071 -8.42983 0.489412 -8.42978 15.7655 GPRESSAVG: 4390200 -44.1553 23.1677 1.71243 22.0457 21.9127 -7.86383 -1.03677 -9.50665 15.9564 TIMING: 4390200 CPU: 12756.3, 0.00288898/step Wall: 12756.3, 0.00288898/step, 0.489361 hours remaining, 207.875000 MB of memory in use. ENERGY: 4390200 720.2736 2059.2778 1963.4603 109.5347 -205614.2012 17479.7983 0.0000 0.0000 34493.5017 -148788.3548 301.2403 -183281.8565 -148691.4921 300.1346 10.5526 39.4069 557471.0786 -2.0753 -2.0954 PRESSURE: 4390400 450.073 255.719 -56.7338 255.72 52.6186 107.248 -56.7357 107.246 -78.2466 GPRESSURE: 4390400 405.598 228.808 -62.7499 254.539 92.3353 161.162 -79.7767 99.6212 22.5924 PRESSAVG: 4390400 -67.5274 50.5519 -39.9967 50.5519 41.7169 -31.8869 -39.9968 -31.8869 31.8286 GPRESSAVG: 4390400 -69.1442 48.9582 -41.6284 51.096 42.298 -32.95 -40.8827 -31.9194 32.7274 TIMING: 4390400 CPU: 12756.9, 0.00289507/step Wall: 12756.9, 0.00289507/step, 0.490232 hours remaining, 207.875000 MB of memory in use. ENERGY: 4390400 762.5988 2111.6174 1953.6523 103.4252 -205948.3748 17841.3406 0.0000 0.0000 34423.5031 -148752.2374 300.6290 -183175.7405 -148657.2639 301.1326 141.4817 173.5086 556779.8102 2.0060 1.9604 PRESSURE: 4390600 -133.223 -73.1038 40.2375 -73.1044 -98.0972 148.671 40.2378 148.672 -82.4888 GPRESSURE: 4390600 -133.769 -188.966 57.5412 -30.746 -98.5558 163.982 5.47071 120.205 22.2848 PRESSAVG: 4390600 16.2272 -1.59139 -27.2317 -1.5914 35.7576 62.7849 -27.2317 62.7849 -21.6247 GPRESSAVG: 4390600 16.1323 -0.623895 -28.6903 -1.15183 35.8477 62.7989 -25.8354 63.2106 -21.4382 TIMING: 4390600 CPU: 12757.5, 0.00287858/step Wall: 12757.5, 0.00287858/step, 0.48728 hours remaining, 207.875000 MB of memory in use. ENERGY: 4390600 767.2844 2054.0862 1924.5723 103.1206 -205570.9871 17654.8343 0.0000 0.0000 34184.2422 -148882.8470 298.5395 -183067.0893 -148776.7451 300.2050 -104.6028 -70.0133 558066.5634 10.1200 10.1806 PRESSURE: 4390800 25.7621 176.728 69.9487 176.727 120.757 -5.20709 69.9495 -5.20506 -27.8339 GPRESSURE: 4390800 21.0866 233.02 31.7174 167.976 130.47 59.9147 68.8022 30.5978 54.2623 PRESSAVG: 4390800 -7.89355 -28.9986 -69.677 -28.9987 -32.1944 -16.9001 -69.677 -16.9001 32.6036 GPRESSAVG: 4390800 -7.54786 -29.0341 -68.6781 -27.1078 -33.2166 -14.9204 -68.9453 -17.9612 32.9671 TIMING: 4390800 CPU: 12758.1, 0.002871/step Wall: 12758.1, 0.002871/step, 0.485837 hours remaining, 207.875000 MB of memory in use. ENERGY: 4390800 756.0299 2085.6928 1942.1213 108.2955 -205843.7994 17972.0895 0.0000 0.0000 33996.9280 -148982.6424 296.9036 -182979.5704 -148895.1145 299.5988 39.5618 68.6063 558052.2219 -2.4948 -2.5991 PRESSURE: 4391000 62.6687 17.2329 -7.64131 17.2341 -4.25535 -178.191 -7.64205 -178.19 101.874 GPRESSURE: 4391000 74.7422 -44.5783 -72.0208 73.6473 2.74481 -77.1844 15.477 -246.882 185.017 PRESSAVG: 4391000 58.471 19.7027 -42.8149 19.7028 41.4955 -5.45465 -42.8149 -5.45453 -64.1448 GPRESSAVG: 4391000 57.9646 18.5721 -43.1876 16.8592 41.9358 -5.66315 -42.7411 -4.96437 -64.6212 TIMING: 4391000 CPU: 12758.6, 0.00288335/step Wall: 12758.6, 0.00288335/step, 0.487767 hours remaining, 207.875000 MB of memory in use. ENERGY: 4391000 748.2029 2093.4392 1970.9991 116.6355 -206078.6850 17837.0063 0.0000 0.0000 34143.0994 -149169.3026 298.1802 -183312.4019 -149077.5554 298.8220 53.4291 87.5013 557334.6976 11.9406 11.7598 PRESSURE: 4391200 -75.1678 -47.0686 87.8377 -47.068 55.4303 55.5007 87.8372 55.5027 -9.29546 GPRESSURE: 4391200 -37.3628 -17.8077 56.1847 -37.119 85.8706 -20.4713 50.9641 57.5948 6.00375 PRESSAVG: 4391200 -43.4234 10.5515 11.3066 10.5515 47.379 -35.4616 11.3067 -35.4617 -20.7387 GPRESSAVG: 4391200 -44.3262 12.433 12.9279 12.1913 47.852 -37.3553 9.73474 -33.8045 -20.5463 TIMING: 4391200 CPU: 12759.2, 0.00291121/step Wall: 12759.2, 0.00291121/step, 0.492318 hours remaining, 207.875000 MB of memory in use. ENERGY: 4391200 752.7595 2091.3429 1925.2662 111.3415 -206326.2477 17936.8765 0.0000 0.0000 34164.9400 -149343.7211 298.3709 -183508.6611 -149242.8793 298.4141 -9.6777 18.1705 558476.9706 -5.5943 -5.6735 PRESSURE: 4391400 242.851 -18.389 -319.66 -18.389 -36.976 -143.076 -319.659 -143.074 55.8405 GPRESSURE: 4391400 226.901 -91.1281 -230.111 17.0277 13.716 -133.448 -261.344 -105.458 111.686 PRESSAVG: 4391400 -27.823 15.478 -18.9422 15.4779 46.977 58.4542 -18.9421 58.4543 -15.7216 GPRESSAVG: 4391400 -26.2998 13.9225 -17.5717 14.2384 45.8648 60.6159 -19.5335 56.1206 -16.4749 TIMING: 4391400 CPU: 12759.8, 0.00289485/step Wall: 12759.8, 0.00289485/step, 0.489391 hours remaining, 207.875000 MB of memory in use. ENERGY: 4391400 737.0234 2068.9444 1948.0778 112.4388 -206326.7041 18034.3015 0.0000 0.0000 34199.4681 -149226.4501 298.6725 -183425.9182 -149136.6084 298.0859 87.2384 117.4345 557782.3869 1.1441 1.0300 PRESSURE: 4391600 293.966 3.56505 -57.8482 3.56533 4.51125 -55.3402 -57.8476 -55.3414 57.5215 GPRESSURE: 4391600 324.05 -18.0762 -25.2257 -20.8479 60.4579 -99.1243 -44.4032 -52.144 70.7257 PRESSAVG: 4391600 16.795 65.8286 -14.694 65.8286 11.7371 -25.771 -14.6941 -25.771 0.33189 GPRESSAVG: 4391600 16.4244 67.7635 -17.3779 66.147 13.0821 -26.3886 -13.5278 -27.3311 -0.430677 TIMING: 4391600 CPU: 12760.4, 0.0029129/step Wall: 12760.4, 0.0029129/step, 0.492279 hours remaining, 207.875000 MB of memory in use. ENERGY: 4391600 735.5956 2076.8174 1950.7352 97.8017 -206614.3921 18066.9119 0.0000 0.0000 34306.2502 -149380.2802 299.6050 -183686.5304 -149280.7214 299.0669 118.6663 151.7446 556402.9711 9.6214 9.6920 PRESSURE: 4391800 70.817 12.207 -35.5725 12.2054 286.403 -67.7308 -35.5717 -67.7308 130.337 GPRESSURE: 4391800 90.7509 46.9165 45.5935 7.71765 371.474 1.56751 -62.3136 -117.498 116.964 PRESSAVG: 4391800 80.3061 -35.9661 18.9916 -35.9661 -57.5686 -9.90182 18.9916 -9.90184 -44.2199 GPRESSAVG: 4391800 80.4872 -36.0293 18.7593 -37.9935 -57.125 -12.0914 19.9571 -8.10274 -44.261 TIMING: 4391800 CPU: 12761, 0.0028993/step Wall: 12761, 0.0028993/step, 0.489821 hours remaining, 207.875000 MB of memory in use. ENERGY: 4391800 721.3239 2075.8002 1978.7899 114.3959 -206650.4184 18061.5733 0.0000 0.0000 34411.4742 -149287.0611 300.5240 -183698.5353 -149191.6451 299.2378 162.5191 193.0630 557077.6640 -7.1608 -6.9663 PRESSURE: 4392000 331.507 -19.5372 -54.1205 -19.538 312.706 -23.9142 -54.1219 -23.9149 319.791 GPRESSURE: 4392000 351.829 -19.6028 -75.376 -52.5923 370.012 57.3967 -53.1643 -62.8013 338.83 PRESSAVG: 4392000 23.5744 -59.1255 -8.88968 -59.1255 46.1972 28.7397 -8.88971 28.7397 -13.3418 GPRESSAVG: 4392000 24.5751 -60.2436 -9.51577 -57.132 44.3744 29.2752 -11.7196 30.0886 -12.2165 TIMING: 4392000 CPU: 12761.6, 0.0029059/step Wall: 12761.6, 0.0029059/step, 0.490774 hours remaining, 207.875000 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: 4392000 761.4871 2071.9811 1979.1554 115.8151 -206921.3765 18252.2869 0.0000 0.0000 34405.0545 -149335.5964 300.4679 -183740.6509 -149245.4416 299.5426 321.3347 353.5571 555796.1365 18.8099 18.9110 PRESSURE: 4392200 -130.701 67.9254 -60.018 67.9258 116 41.0657 -60.0182 41.0653 -209.794 GPRESSURE: 4392200 -107.36 190.876 -80.2572 22.3318 160.301 80.3839 -19.9305 32.4317 -181.88 PRESSAVG: 4392200 4.31867 14.5685 -45.2538 14.5686 16.3537 3.88213 -45.2539 3.88211 -47.5143 GPRESSAVG: 4392200 3.27681 15.9803 -44.7936 13.3647 16.5571 4.53581 -43.0433 4.19686 -46.7037 TIMING: 4392200 CPU: 12762.1, 0.00289635/step Wall: 12762.1, 0.00289634/step, 0.489 hours remaining, 207.875000 MB of memory in use. ENERGY: 4392200 735.2171 2098.7195 1939.0730 104.8847 -206090.7609 17656.5697 0.0000 0.0000 34226.3195 -149329.9774 298.9070 -183556.2969 -149225.0210 299.8239 -74.8315 -42.9793 557486.6066 -8.9473 -8.9566 LDB: ============= START OF LOAD BALANCING ============== 12765.6 LDB: ============== END OF LOAD BALANCING =============== 12765.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12765.6 LDB: ============= START OF LOAD BALANCING ============== 12765.9 LDB: Largest compute 4848 load 0.028023 is 23.8% of average load 0.117744 LDB: Average compute 0.001733 is 1.5% of average load 0.117744 LDB: TIME 12765.9 LOAD: AVG 0.117744 MAX 0.181226 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 12765.9 LOAD: AVG 0.117744 MAX 0.181226 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.426 MB LDB: TIME 12765.9 LOAD: AVG 0.117744 MAX 0.181226 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12765.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12765.9 PRESSURE: 4392400 -159.677 -90.8625 4.66636 -90.8621 -132.491 55.0297 4.66562 55.0309 -127.649 GPRESSURE: 4392400 -154.652 -111.606 -22.0882 39.2313 -47.2477 16.2887 17.6681 69.0184 -130.007 PRESSAVG: 4392400 9.11245 -16.2064 32.3945 -16.2064 42.5886 43.1665 32.3945 43.1666 -43.1754 GPRESSAVG: 4392400 9.02184 -18.6108 31.7025 -13.7116 43.8188 44.6037 32.1316 41.0105 -44.504 TIMING: 4392400 CPU: 12762.7, 0.00296385/step Wall: 12762.7, 0.00296385/step, 0.500232 hours remaining, 206.789062 MB of memory in use. ENERGY: 4392400 750.1145 2099.4412 1934.6469 108.2805 -206201.0648 17641.5761 0.0000 0.0000 34372.0894 -149294.9163 300.1800 -183667.0057 -149197.4742 299.4405 -139.9389 -110.6355 556768.1634 2.8419 2.7789 PRESSURE: 4392600 27.2073 -30.1558 42.8605 -30.1568 -204.484 37.0911 42.8617 37.0909 -190.411 GPRESSURE: 4392600 58.3956 -61.5689 26.8883 12.5342 -176.46 85.4294 5.60644 15.3684 -156.389 PRESSAVG: 4392600 -9.63577 -22.4148 2.98955 -22.4147 -19.0857 12.8529 2.98956 12.8528 28.6311 GPRESSAVG: 4392600 -9.25582 -21.3553 3.58981 -22.7474 -19.6983 10.8484 0.093871 13.1395 29.1045 TIMING: 4392600 CPU: 12763.3, 0.00292958/step Wall: 12763.3, 0.00292958/step, 0.494285 hours remaining, 206.789062 MB of memory in use. ENERGY: 4392600 727.9338 2042.5877 1940.8077 116.7455 -205974.8048 17654.1630 0.0000 0.0000 34153.1145 -149339.4526 298.2676 -183492.5671 -149238.1700 299.0008 -122.5625 -91.4844 557770.0925 -0.0301 0.0501 PRESSURE: 4392800 -230.318 102.828 17.9969 102.829 -80.9777 -113.222 17.9966 -113.222 164.784 GPRESSURE: 4392800 -168.618 126.286 101.755 137.872 -44.9414 -40.0908 -73.3735 -117.816 171.122 PRESSAVG: 4392800 -27.7883 24.5715 34.8526 24.5717 -115.408 14.005 34.8526 14.005 139.585 GPRESSAVG: 4392800 -27.9083 24.0771 34.6295 23.0423 -115.467 14.3513 38.4787 16.1373 139.984 TIMING: 4392800 CPU: 12763.9, 0.0029166/step Wall: 12763.9, 0.0029166/step, 0.491933 hours remaining, 206.789062 MB of memory in use. ENERGY: 4392800 734.7314 2129.8115 1926.3403 105.4840 -206313.0920 17773.1797 0.0000 0.0000 34249.8233 -149393.7218 299.1122 -183643.5451 -149302.1978 298.7764 -48.8372 -14.1458 556891.7585 -1.2038 -1.1303 PRESSURE: 4393000 162.323 36.8812 48.0853 36.8814 57.1926 26.7231 48.0863 26.7226 312.326 GPRESSURE: 4393000 177.801 10.1352 41.3475 84.3343 82.3593 75.1159 30.1462 -46.8236 371.601 PRESSAVG: 4393000 -41.2349 15.5767 -2.28854 15.5767 -0.317291 5.41618 -2.28858 5.41624 58.4699 GPRESSAVG: 4393000 -41.322 16.4708 -1.23233 14.7426 0.439136 5.85415 -3.50072 3.38768 57.7082 TIMING: 4393000 CPU: 12764.5, 0.00291183/step Wall: 12764.5, 0.00291183/step, 0.490966 hours remaining, 206.789062 MB of memory in use. ENERGY: 4393000 700.0609 2107.4038 1926.2902 116.6665 -206332.2998 18032.9287 0.0000 0.0000 34084.5787 -149364.3710 297.6691 -183448.9497 -149265.5175 298.2253 177.2806 210.5872 557799.7536 5.6392 5.6084 PRESSURE: 4393200 151.566 96.2951 57.9697 96.2963 -213.329 -75.3467 57.9703 -75.346 -307.095 GPRESSURE: 4393200 114.599 -1.67593 116.206 169.226 -109.681 -35.7314 4.12301 -54.2475 -275.454 PRESSAVG: 4393200 61.8636 8.40677 -13.4465 8.40675 -95.4966 52.1084 -13.4465 52.1085 40.5785 GPRESSAVG: 4393200 62.3495 7.84763 -12.0354 8.38749 -96.7138 53.3194 -15.8695 53.5127 41.0399 TIMING: 4393200 CPU: 12765.1, 0.00291023/step Wall: 12765.1, 0.00291023/step, 0.490535 hours remaining, 206.789062 MB of memory in use. ENERGY: 4393200 745.0576 2144.1023 1933.7315 115.8574 -206538.4915 17879.3402 0.0000 0.0000 34541.2489 -149179.1537 301.6573 -183720.4026 -149088.1487 299.7107 -122.9527 -90.1784 557031.2880 2.3152 2.2252 PRESSURE: 4393400 -175.86 231.633 -45.286 231.633 42.8785 18.1595 -45.2863 18.1592 220.441 GPRESSURE: 4393400 -149.266 297.988 -57.7028 185.404 93.8854 -65.8223 -82.3075 70.2725 241.839 PRESSAVG: 4393400 -4.50755 81.7394 -5.75688 81.7394 -44.4046 -17.9172 -5.75699 -17.9173 -0.0176443 GPRESSAVG: 4393400 -3.81779 82.0859 -8.34404 81.3566 -43.9474 -20.4184 -3.66474 -16.8885 -1.38525 TIMING: 4393400 CPU: 12765.6, 0.00290117/step Wall: 12765.6, 0.00290117/step, 0.488847 hours remaining, 206.789062 MB of memory in use. ENERGY: 4393400 720.4555 2052.4347 1942.7188 117.5262 -205869.1852 17828.9289 0.0000 0.0000 34287.3264 -148919.7948 299.4397 -183207.1212 -148832.8133 300.3369 29.1531 62.1529 559506.6617 -16.3099 -16.3835 PRESSURE: 4393600 111.396 150.189 -146.931 150.19 115.969 59.3653 -146.931 59.3646 -41.2548 GPRESSURE: 4393600 149.261 181.196 -235.701 97.3982 79.738 68.3313 -9.36777 71.6686 44.886 PRESSAVG: 4393600 -4.39282 16.1741 -20.0327 16.1742 -3.15759 1.4556 -20.0327 1.45553 57.3143 GPRESSAVG: 4393600 -4.24319 14.4207 -18.7289 17.4172 -4.19163 2.14899 -20.4479 -0.460118 58.0167 TIMING: 4393600 CPU: 12766.2, 0.0029252/step Wall: 12766.2, 0.0029252/step, 0.492734 hours remaining, 206.789062 MB of memory in use. ENERGY: 4393600 722.4065 2062.3962 1975.9318 115.4653 -206070.9750 17824.0325 0.0000 0.0000 34354.3248 -149016.4179 300.0249 -183370.7427 -148925.0394 299.7953 62.0368 91.2948 557879.0403 16.5880 16.5273 PRESSURE: 4393800 189.676 -1.80551 -13.6733 -1.80597 64.2576 34.035 -13.6739 34.0342 105.034 GPRESSURE: 4393800 247.669 4.60867 -132.229 -129.886 75.5319 -21.9451 40.3954 147.87 133.188 PRESSAVG: 4393800 47.5388 -6.67979 -81.5461 -6.67968 -1.90135 76.9977 -81.5461 76.9977 -35.241 GPRESSAVG: 4393800 46.4675 -5.36965 -83.1607 -7.12455 -1.21735 77.0853 -82.3168 76.2607 -35.108 TIMING: 4393800 CPU: 12766.8, 0.0029047/step Wall: 12766.8, 0.00290469/step, 0.489118 hours remaining, 206.789062 MB of memory in use. ENERGY: 4393800 698.4554 2011.2694 1971.5623 107.5525 -206264.3697 18014.2677 0.0000 0.0000 34449.7281 -149011.5345 300.8580 -183461.2626 -148909.7294 299.6288 119.6561 152.1297 558123.8452 3.4655 3.3807 PRESSURE: 4394000 45.7338 -91.5678 -126.296 -91.5673 66.2739 79.7019 -126.298 79.7019 173.935 GPRESSURE: 4394000 61.9902 20.0197 -194.973 -122.179 83.9835 158.318 -18.7251 43.1787 251.008 PRESSAVG: 4394000 55.0692 -12.9044 -16.212 -12.9044 8.30548 -0.589838 -16.212 -0.589565 -45.1463 GPRESSAVG: 4394000 54.6768 -12.9729 -13.8589 -12.5453 8.40176 0.375776 -14.4738 -0.548043 -45.0606 TIMING: 4394000 CPU: 12767.4, 0.00291205/step Wall: 12767.4, 0.00291205/step, 0.490195 hours remaining, 206.789062 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: 4394000 709.4718 2081.7342 1949.0634 99.4704 -206495.3542 18049.0207 0.0000 0.0000 34579.5401 -149027.0536 301.9917 -183606.5937 -148933.3524 299.6287 95.3143 132.3273 558313.0677 6.0761 6.0060 PRESSURE: 4394200 -100.08 -56.9209 -33.638 -56.921 -45.8465 -90.7547 -33.6371 -90.7551 -275.907 GPRESSURE: 4394200 -47.2506 -38.5518 -42.4932 -75.3856 -8.85763 -53.6129 -25.611 -169.881 -274.703 PRESSAVG: 4394200 -3.10376 5.97122 -1.67717 5.97111 25.3513 20.4722 -1.67708 20.4723 -44.4523 GPRESSAVG: 4394200 -3.17875 7.58323 -2.01821 5.25482 25.1313 19.93 -2.73072 20.4384 -43.4766 TIMING: 4394200 CPU: 12768, 0.00291298/step Wall: 12768, 0.00291298/step, 0.490191 hours remaining, 206.789062 MB of memory in use. ENERGY: 4394200 732.1594 2074.2671 1969.2428 116.4968 -205916.2740 17661.7893 0.0000 0.0000 34194.2259 -149168.0927 298.6267 -183362.3186 -149075.7532 299.6559 -140.6109 -110.2703 558608.1923 -7.4016 -7.1747 PRESSURE: 4394400 9.37183 137.605 -29.7612 137.606 182.74 160.091 -29.7609 160.092 -226.622 GPRESSURE: 4394400 90.6151 101.415 66.9004 228.111 204.293 180.617 -64.9476 171.995 -226.487 PRESSAVG: 4394400 -23.9947 34.3638 -50.4251 34.3639 59.4441 -30.6102 -50.4251 -30.6102 -49.1379 GPRESSAVG: 4394400 -23.587 33.8493 -53.0609 36.4267 59.1117 -30.8296 -49.3515 -29.9874 -48.659 TIMING: 4394400 CPU: 12768.5, 0.00288966/step Wall: 12768.5, 0.00288966/step, 0.486104 hours remaining, 206.789062 MB of memory in use. ENERGY: 4394400 736.6069 2075.8705 1962.1185 110.5602 -206470.4967 18008.9520 0.0000 0.0000 34390.9890 -149185.3996 300.3451 -183576.3886 -149087.7926 299.5508 -11.5032 22.8069 557813.1542 -4.5628 -4.3781 PRESSURE: 4394600 12.2645 -43.9947 60.5069 -43.9942 104.983 -16.4365 60.5072 -16.4369 215.492 GPRESSURE: 4394600 5.05998 -27.5699 39.1837 -20.2479 250.719 -75.4423 108.619 50.5167 181.744 PRESSAVG: 4394600 -15.5088 -2.23192 -27.6675 -2.2318 19.2645 19.3749 -27.6676 19.375 -17.7281 GPRESSAVG: 4394600 -16.631 -4.39916 -26.7034 -3.20177 19.6986 18.351 -27.5925 17.9874 -17.4279 TIMING: 4394600 CPU: 12769.1, 0.00289036/step Wall: 12769.1, 0.00289035/step, 0.486061 hours remaining, 206.789062 MB of memory in use. ENERGY: 4394600 707.3409 2003.7503 1967.5284 119.4868 -206185.3817 17986.6306 0.0000 0.0000 34199.3218 -149201.3228 298.6712 -183400.6446 -149102.3227 299.5178 110.9129 145.8411 557401.8367 -4.6575 -4.7868 PRESSURE: 4394800 -228.953 -34.9699 -232.657 -34.9709 -95.968 -179.17 -232.657 -179.171 81.9349 GPRESSURE: 4394800 -180.01 35.7831 -262.897 -108.796 -72.2977 -76.4113 -221.579 -220.512 108.042 PRESSAVG: 4394800 -28.9643 25.7454 8.04279 25.7453 37.9232 43.9831 8.0428 43.983 -51.6365 GPRESSAVG: 4394800 -28.3074 28.3863 8.83602 24.6103 37.0894 43.8643 7.04377 45.3788 -51.4976 TIMING: 4394800 CPU: 12769.7, 0.00291024/step Wall: 12769.7, 0.00291024/step, 0.489243 hours remaining, 206.789062 MB of memory in use. ENERGY: 4394800 751.1134 2097.3678 1949.4219 117.0487 -206288.6218 17707.4660 0.0000 0.0000 34574.2093 -149091.9947 301.9452 -183666.2040 -148995.4821 299.9018 -80.9955 -48.0884 557196.0614 -14.2259 -14.2385 PRESSURE: 4395000 71.8229 112.174 66.2465 112.175 -102.215 82.611 66.2457 82.6103 -16.0828 GPRESSURE: 4395000 91.6695 8.35208 133.144 137.953 -59.8233 124.039 74.9999 55.5585 6.11516 PRESSAVG: 4395000 -29.181 75.0026 -41.1967 75.0026 49.8369 63.8508 -41.1966 63.8508 9.11433 GPRESSAVG: 4395000 -28.9144 74.1494 -40.8755 76.0958 51.5615 63.3736 -40.5111 64.3279 7.46044 TIMING: 4395000 CPU: 12770.3, 0.00290096/step Wall: 12770.3, 0.00290096/step, 0.487523 hours remaining, 206.789062 MB of memory in use. ENERGY: 4395000 760.3575 2080.2413 1974.3584 107.9824 -206250.4667 17890.1074 0.0000 0.0000 34297.0132 -149140.4065 299.5243 -183437.4197 -149050.1713 300.1779 -15.4917 12.6538 556734.1172 9.9234 10.0358 PRESSURE: 4395200 -56.3706 -41.8458 59.8602 -41.8467 -227.288 -49.8514 59.8604 -49.8517 -247.646 GPRESSURE: 4395200 -78.5901 -34.6873 92.3352 72.1343 -189.541 -49.7535 47.8566 -99.9928 -175.823 PRESSAVG: 4395200 -81.7622 50.0101 16.8521 50.0101 33.8072 52.7351 16.852 52.7352 45.2199 GPRESSAVG: 4395200 -81.6654 49.4354 18.8567 51.1899 33.734 54.9782 16.2773 53.3095 45.0753 TIMING: 4395200 CPU: 12770.9, 0.00290239/step Wall: 12770.9, 0.00290239/step, 0.487601 hours remaining, 206.789062 MB of memory in use. ENERGY: 4395200 767.3661 2094.9777 1978.4883 118.8879 -205732.8617 17495.4608 0.0000 0.0000 34266.7844 -149010.8965 299.2604 -183277.6809 -148916.2679 299.7729 -177.1015 -147.9849 557645.7496 -0.9117 -0.9520 PRESSURE: 4395400 -20.1942 -251.816 -15.8962 -251.815 17.8358 -110.75 -15.8963 -110.749 -2.15243 GPRESSURE: 4395400 67.946 -178.882 16.9931 -278.16 62.3626 -97.7001 108.667 -184.184 -49.285 PRESSAVG: 4395400 -8.74417 -4.62085 -16.9 -4.62094 -52.6001 45 -16.9001 45.0002 25.9657 GPRESSAVG: 4395400 -9.52226 -4.40885 -19.4086 -5.84531 -51.563 44.5189 -13.777 43.3828 25.5239 TIMING: 4395400 CPU: 12771.4, 0.00289003/step Wall: 12771.4, 0.00289003/step, 0.485364 hours remaining, 206.789062 MB of memory in use. ENERGY: 4395400 762.9311 2064.4579 1969.3087 112.7709 -206096.9875 17942.7619 0.0000 0.0000 34241.9093 -149002.8477 299.0431 -183244.7570 -148912.5540 299.9727 -1.5036 27.0079 559008.4569 -11.7929 -11.8538 PRESSURE: 4395600 -163.67 -40.2107 -26.2032 -40.2106 25.7646 -30.3114 -26.2027 -30.3106 -85.9165 GPRESSURE: 4395600 -160.488 -55.098 -20.0358 -21.3605 34.6265 -51.8366 -34.5125 30.8331 6.66912 PRESSAVG: 4395600 -10.917 13.1862 -50.8565 13.1862 -4.66882 -0.361627 -50.8565 -0.361655 55.5205 GPRESSAVG: 4395600 -9.80088 14.6092 -49.5681 13.711 -5.94943 -0.213888 -53.1114 0.0475748 56.0278 TIMING: 4395600 CPU: 12772, 0.00290331/step Wall: 12772, 0.00290331/step, 0.487434 hours remaining, 206.789062 MB of memory in use. ENERGY: 4395600 735.6860 2042.4906 1929.2998 115.0563 -205822.7653 17732.7834 0.0000 0.0000 34387.3254 -148880.1238 300.3131 -183267.4493 -148783.2742 300.6332 -74.6073 -39.7308 559369.5194 13.3116 13.4258 PRESSURE: 4395800 -13.0913 119.638 -153.243 119.638 -103.43 110.193 -153.245 110.193 -183.8 GPRESSURE: 4395800 8.09313 98.785 -117.9 97.3121 -94.0689 187.127 -158.336 98.702 -120.477 PRESSAVG: 4395800 -19.4993 34.0162 1.142 34.0163 25.7444 -16.8352 1.14201 -16.8351 10.7242 GPRESSAVG: 4395800 -20.418 31.8722 2.69335 32.4183 25.7339 -17.4383 0.618129 -16.002 11.4401 TIMING: 4395800 CPU: 12772.6, 0.00289285/step Wall: 12772.6, 0.00289285/step, 0.485516 hours remaining, 206.789062 MB of memory in use. ENERGY: 4395800 746.4665 2082.8422 1968.1916 118.9431 -205915.4246 17748.0454 0.0000 0.0000 34541.6389 -148709.2968 301.6607 -183250.9357 -148608.6577 300.1668 -100.1072 -68.8178 558607.9163 5.6564 5.5853 PRESSURE: 4396000 76.3771 181.177 -87.4771 181.178 -258.007 43.6644 -87.476 43.6658 -255.081 GPRESSURE: 4396000 102.465 103.948 -145.667 200.128 -261.899 -4.31707 -67.0569 34.2081 -177.421 PRESSAVG: 4396000 67.9155 47.2099 -23.5078 47.2099 -55.6421 9.71824 -23.5078 9.71827 -37.2905 GPRESSAVG: 4396000 68.3151 48.633 -24.5816 50.1767 -55.8185 9.18155 -24.1147 9.0339 -37.5587 TIMING: 4396000 CPU: 12773.2, 0.00288218/step Wall: 12773.2, 0.00288218/step, 0.483566 hours remaining, 206.789062 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: 4396000 734.2717 2121.3115 1964.8167 133.4280 -206062.8396 17691.6445 0.0000 0.0000 34664.8077 -148752.5595 302.7364 -183417.3672 -148653.7498 300.7370 -145.5704 -112.2851 558241.7710 -8.3390 -8.3541 PRESSURE: 4396200 154.546 -129.463 160.211 -129.463 -119.389 -23.0184 160.212 -23.018 -25.4058 GPRESSURE: 4396200 160.158 -71.2615 210.955 -106.41 -79.7484 -81.7001 177.843 14.9911 26.1616 PRESSAVG: 4396200 -6.18383 32.572 56.521 32.572 42.4633 -18.9433 56.521 -18.9433 2.10218 GPRESSAVG: 4396200 -6.45838 35.0834 55.3407 30.9344 43.1229 -17.9546 58.1498 -18.6687 1.386 TIMING: 4396200 CPU: 12773.8, 0.00288255/step Wall: 12773.8, 0.00288255/step, 0.483468 hours remaining, 206.789062 MB of memory in use. ENERGY: 4396200 740.1708 2067.4701 1964.3351 109.2239 -206130.1828 17953.8517 0.0000 0.0000 34475.3025 -148819.8286 301.0814 -183295.1311 -148715.9860 300.6827 3.2503 35.5238 559027.0153 12.7939 12.6835 LDB: ============= START OF LOAD BALANCING ============== 12777.2 LDB: ============== END OF LOAD BALANCING =============== 12777.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12777.2 LDB: ============= START OF LOAD BALANCING ============== 12777.5 LDB: Largest compute 4848 load 0.027012 is 22.9% of average load 0.117780 LDB: Average compute 0.001731 is 1.5% of average load 0.117780 LDB: TIME 12777.5 LOAD: AVG 0.11778 MAX 0.182353 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 12777.5 LOAD: AVG 0.11778 MAX 0.182353 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.441 MB LDB: TIME 12777.5 LOAD: AVG 0.11778 MAX 0.182353 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.441 MB LDB: ============== END OF LOAD BALANCING =============== 12777.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12777.5 PRESSURE: 4396400 171.626 -97.3181 44.5469 -97.3176 133.559 -33.6985 44.5476 -33.6978 -16.1725 GPRESSURE: 4396400 205.019 -66.0412 33.5132 -148.236 185.116 58.8885 173.812 -112.054 -6.36126 PRESSAVG: 4396400 22.8519 -16.9759 28.8745 -16.9759 -78.2576 28.2003 28.8745 28.2002 9.64929 GPRESSAVG: 4396400 22.4614 -19.2692 29.9778 -16.9565 -77.9163 30.0501 26.9391 28.5364 9.1195 TIMING: 4396400 CPU: 12774.4, 0.00298644/step Wall: 12774.4, 0.00298644/step, 0.500727 hours remaining, 207.613281 MB of memory in use. ENERGY: 4396400 714.4526 2056.5457 1933.7936 105.8707 -206163.2780 17927.4263 0.0000 0.0000 34481.6799 -148943.5092 301.1371 -183425.1891 -148849.3252 299.8077 96.3373 127.9247 558618.0800 -15.2521 -15.4452 PRESSURE: 4396600 -45.8559 85.2124 -68.5987 85.213 87.4912 6.41327 -68.5988 6.41331 22.7369 GPRESSURE: 4396600 2.16928 115.147 -55.4098 16.6473 70.1888 -20.2474 6.79286 42.5551 85.1803 PRESSAVG: 4396600 43.5747 13.7552 3.25732 13.7552 12.8187 33.2182 3.25723 33.2182 -22.3533 GPRESSAVG: 4396600 44.9654 16.0196 3.31989 12.049 11.2327 33.3201 5.27694 33.373 -22.2795 TIMING: 4396600 CPU: 12774.9, 0.00292707/step Wall: 12774.9, 0.00292707/step, 0.49061 hours remaining, 207.683594 MB of memory in use. ENERGY: 4396600 737.1119 2083.5724 1949.0236 115.9240 -205774.6937 17944.7072 0.0000 0.0000 34140.0965 -148804.2580 298.1540 -182944.3545 -148702.6723 299.8663 21.4574 52.5128 559312.0509 11.3467 11.3062 PRESSURE: 4396800 107.867 1.09992 -196.072 1.0998 -57.2948 -20.5877 -196.072 -20.5875 33.9482 GPRESSURE: 4396800 175.272 35.5054 -146.271 -47.7189 -41.9423 -46.1776 -172.717 -54.3398 54.9568 PRESSAVG: 4396800 74.2245 -12.7914 20.2195 -12.7914 -25.9296 -34.7104 20.2196 -34.7103 -9.66995 GPRESSAVG: 4396800 73.3925 -16.5677 22.1461 -9.51532 -25.6952 -37.3183 18.2551 -34.969 -8.9433 TIMING: 4396800 CPU: 12775.5, 0.002912/step Wall: 12775.5, 0.002912/step, 0.487922 hours remaining, 207.683594 MB of memory in use. ENERGY: 4396800 761.7648 2043.0830 1942.9963 114.5541 -206055.7327 17902.0165 0.0000 0.0000 34352.2748 -148939.0432 300.0070 -183291.3180 -148843.2832 300.1834 28.1735 62.7621 558265.8308 12.8750 12.9180 PRESSURE: 4397000 -179.917 6.58982 84.8161 6.58981 -446.142 70.8932 84.8163 70.8921 123.478 GPRESSURE: 4397000 -186.682 -4.42751 58.4301 115.598 -332.701 -32.6179 174.231 160.027 125.027 PRESSAVG: 4397000 -46.1463 3.31343 4.90988 3.31337 1.31794 12.215 4.9099 12.2149 7.36053 GPRESSAVG: 4397000 -45.2165 5.78055 1.52332 1.79204 0.315837 13.1236 5.55091 13.292 7.501 TIMING: 4397000 CPU: 12776.1, 0.00289677/step Wall: 12776.1, 0.00289677/step, 0.485208 hours remaining, 207.683594 MB of memory in use. ENERGY: 4397000 725.1798 2030.6504 1977.0577 119.4908 -205314.3744 17401.7659 0.0000 0.0000 34177.9310 -148882.2989 298.4844 -183060.2298 -148779.7023 300.0898 -167.5273 -131.4522 558653.1138 -12.4893 -12.4666 PRESSURE: 4397200 -80.4697 -24.0176 -117.436 -24.0178 -268.301 119.333 -117.436 119.332 -36.4146 GPRESSURE: 4397200 -22.7311 -27.9924 -182.918 -55.3787 -244.896 74.6773 -37.2551 145.124 -22.5728 PRESSAVG: 4397200 27.519 0.356438 31.9823 0.356414 -53.4752 14.3768 31.9824 14.3767 45.2052 GPRESSAVG: 4397200 25.8712 -0.751892 32.3683 2.19563 -51.9394 16.2847 32.9678 12.6786 45.4764 TIMING: 4397200 CPU: 12776.7, 0.00289573/step Wall: 12776.7, 0.00289573/step, 0.484875 hours remaining, 207.683594 MB of memory in use. ENERGY: 4397200 724.6126 2041.2328 1981.3811 119.2348 -205782.3672 17636.5071 0.0000 0.0000 34473.8321 -148805.5667 301.0685 -183279.3987 -148709.6415 300.2309 -128.3951 -96.7334 558286.6353 6.4163 6.4694 PRESSURE: 4397400 -209.814 102.826 201.225 102.826 -2.18358 89.649 201.224 89.6497 -145.631 GPRESSURE: 4397400 -185.465 183.72 137.929 -52.1321 -7.44035 93.6933 216.498 48.452 -74.9394 PRESSAVG: 4397400 35.5953 8.15053 52.3255 8.15056 -52.5489 63.3292 52.3255 63.3291 -13.5146 GPRESSAVG: 4397400 36.9987 9.5592 53.0614 6.69106 -53.2593 61.9613 51.2983 64.2981 -14.2568 TIMING: 4397400 CPU: 12777.3, 0.00292129/step Wall: 12777.3, 0.00292129/step, 0.488991 hours remaining, 207.683594 MB of memory in use. ENERGY: 4397400 726.0273 2027.9779 1973.5628 108.7300 -205781.3750 17559.7627 0.0000 0.0000 34603.7146 -148781.5996 302.2028 -183385.3142 -148686.6773 300.5329 -119.2098 -89.2816 558788.8325 -10.1561 -10.1725 PRESSURE: 4397600 -151.786 -30.4529 -24.6167 -30.452 149.415 168.316 -24.6162 168.316 219.079 GPRESSURE: 4397600 -148.425 -14.1731 21.3716 -100.482 210.967 159.678 -95.5684 110.31 244.071 PRESSAVG: 4397600 -48.993 -39.7606 7.61653 -39.7606 6.39321 54.5841 7.61648 54.584 50.2363 GPRESSAVG: 4397600 -49.7192 -38.6317 8.90222 -39.7701 6.37402 55.3257 5.4678 55.4646 51.2027 TIMING: 4397600 CPU: 12777.8, 0.00290931/step Wall: 12777.8, 0.00290931/step, 0.486824 hours remaining, 207.683594 MB of memory in use. ENERGY: 4397600 743.7194 2084.5403 1949.1425 105.4601 -205729.9803 17797.6175 0.0000 0.0000 34204.7067 -148844.7939 298.7182 -183049.5006 -148745.9333 300.0094 72.2359 102.2043 557293.3516 2.5455 2.6192 PRESSURE: 4397800 20.112 84.1933 170.732 84.193 170.293 10.9616 170.733 10.9622 -42.5163 GPRESSURE: 4397800 41.05 37.1455 145.818 75.6252 183.399 -13.8075 229.922 27.898 12.8004 PRESSAVG: 4397800 -49.0371 10.8825 18.8999 10.8826 18.2629 28.9176 18.8999 28.9177 -7.59684 GPRESSAVG: 4397800 -49.5024 11.0874 17.221 9.69607 19.6243 26.5812 22.4422 29.4441 -8.4851 TIMING: 4397800 CPU: 12778.4, 0.00289616/step Wall: 12778.4, 0.00289616/step, 0.484464 hours remaining, 207.683594 MB of memory in use. ENERGY: 4397800 750.2362 2098.7952 1968.5313 125.8545 -205518.5317 17627.9069 0.0000 0.0000 34170.9641 -148776.2435 298.4235 -182947.2076 -148685.2256 299.8896 49.2963 79.0830 558080.5289 -12.7903 -12.7877 PRESSURE: 4398000 -124.667 -83.8537 124.391 -83.8531 131.962 -65.3976 124.392 -65.3945 -102.37 GPRESSURE: 4398000 -124.003 0.174756 117.879 -128.051 138.26 -2.88933 58.8504 -106.449 -20.7387 PRESSAVG: 4398000 17.5505 -53.9948 -0.724573 -53.9948 19.2115 -0.358687 -0.724516 -0.358652 -12.2981 GPRESSAVG: 4398000 18.7504 -52.199 -2.25304 -53.9188 17.7664 0.98216 -1.5177 -1.04504 -12.3159 TIMING: 4398000 CPU: 12779, 0.00288528/step Wall: 12779, 0.00288528/step, 0.482483 hours remaining, 207.917969 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: 4398000 778.7421 2101.4880 1979.6919 118.8411 -205804.5191 17666.2699 0.0000 0.0000 34195.9325 -148963.5537 298.6416 -183159.4862 -148871.8976 300.1740 -31.6916 -2.1607 558012.1757 8.1546 8.0670 PRESSURE: 4398200 -22.3564 168.967 -19.1216 168.968 -7.83227 -10.3929 -19.121 -10.3903 -240.747 GPRESSURE: 4398200 30.8916 155.858 -47.305 126.725 75.2887 91.6906 46.3706 -78.4401 -277.521 PRESSAVG: 4398200 -11.9878 48.2517 -83.6802 48.2517 35.6292 -7.75758 -83.6802 -7.75755 -33.754 GPRESSAVG: 4398200 -12.457 45.3095 -81.5413 50.1572 35.3861 -7.96834 -84.367 -7.44013 -33.883 TIMING: 4398200 CPU: 12779.6, 0.00291961/step Wall: 12779.6, 0.00291961/step, 0.488062 hours remaining, 207.917969 MB of memory in use. ENERGY: 4398200 748.6051 2077.0160 1958.5792 111.8811 -205807.7876 17728.4247 0.0000 0.0000 34379.8704 -148803.4112 300.2480 -183183.2815 -148704.1787 300.2109 -90.3117 -57.1136 557051.2174 -3.3709 -3.6513 PRESSURE: 4398400 56.9059 73.9471 152.707 73.9481 -116.779 -100.08 152.708 -100.08 -312.042 GPRESSURE: 4398400 53.4228 10.7716 94.1876 96.1474 -87.6438 -153.158 184.524 -64.9625 -260.604 PRESSAVG: 4398400 -11.6459 39.7408 -19.7757 39.7409 25.8397 -4.77795 -19.7756 -4.77797 17.4012 GPRESSAVG: 4398400 -12.7322 40.2578 -20.5931 38.568 27.5771 -3.62356 -22.0506 -5.04805 16.4749 TIMING: 4398400 CPU: 12780.2, 0.00293045/step Wall: 12780.2, 0.00293045/step, 0.489712 hours remaining, 207.917969 MB of memory in use. ENERGY: 4398400 755.7557 2088.5256 1972.1508 124.6897 -205782.1901 17576.6961 0.0000 0.0000 34439.0591 -148825.3131 300.7649 -183264.3721 -148736.1783 300.1350 -123.9717 -98.2749 559110.9015 10.5317 10.4399 PRESSURE: 4398600 -18.4705 128.944 -130.639 128.944 55.7557 74.7169 -130.638 74.7151 -37.614 GPRESSURE: 4398600 33.2558 76.2961 -107.59 247.961 95.9939 78.0382 -77.4108 98.8509 -30.2435 PRESSAVG: 4398600 42.8402 -24.9937 -18.9541 -24.9936 36.9062 -2.94555 -18.9542 -2.94573 -43.3662 GPRESSAVG: 4398600 43.9813 -23.3984 -18.0609 -26.1899 35.1638 -3.78031 -15.3861 -4.21023 -43.1332 TIMING: 4398600 CPU: 12780.8, 0.00290065/step Wall: 12780.8, 0.00290065/step, 0.48457 hours remaining, 207.917969 MB of memory in use. ENERGY: 4398600 744.3060 2056.4320 1981.3297 106.7483 -205534.2014 17679.0270 0.0000 0.0000 34232.5642 -148733.7942 298.9615 -182966.3585 -148638.8042 299.9384 -0.1096 33.0021 558223.7472 12.1267 12.0040 PRESSURE: 4398800 1.41448 -79.828 69.0417 -79.8281 -102.879 -107.599 69.0409 -107.599 -196.551 GPRESSURE: 4398800 39.6056 -23.991 52.5561 -127.957 -76.051 -32.4684 33.1455 -106.554 -165.913 PRESSAVG: 4398800 21.6027 20.0147 40.4681 20.0147 -17.6566 -11.0397 40.4682 -11.0398 -48.4898 GPRESSAVG: 4398800 20.9254 19.9982 39.4312 20.9103 -17.2361 -11.1327 39.6098 -10.0143 -48.7187 TIMING: 4398800 CPU: 12781.3, 0.00290436/step Wall: 12781.3, 0.00290436/step, 0.485029 hours remaining, 207.917969 MB of memory in use. ENERGY: 4398800 699.7497 2043.1106 1987.9854 121.7753 -205756.8063 17704.5631 0.0000 0.0000 34291.2915 -148908.3307 299.4744 -183199.6222 -148811.6885 299.4351 -99.3386 -67.4527 560470.9061 -14.8479 -15.0098 PRESSURE: 4399000 -121.214 78.5277 19.6406 78.5278 -62.096 50.6834 19.6417 50.6825 -191.823 GPRESSURE: 4399000 -99.7206 68.9289 120.345 36.4206 -1.48581 61.2458 -9.90653 119.589 -185.935 PRESSAVG: 4399000 7.09114 -59.8915 12.3173 -59.8915 24.2119 1.46373 12.3173 1.46371 10.2215 GPRESSAVG: 4399000 6.14529 -60.9624 12.7564 -59.8524 23.8283 1.74635 10.7675 1.43855 11.545 TIMING: 4399000 CPU: 12781.9, 0.00292198/step Wall: 12781.9, 0.00292198/step, 0.487809 hours remaining, 207.917969 MB of memory in use. ENERGY: 4399000 732.3822 2017.0619 1950.5204 130.2421 -205773.4607 17560.0817 0.0000 0.0000 34397.3073 -148985.8650 300.4002 -183383.1722 -148889.0243 299.8470 -125.0446 -95.7138 558780.1316 13.8415 13.8395 PRESSURE: 4399200 -60.9227 205.899 74.9621 205.9 62.2288 -105.755 74.9609 -105.758 393.168 GPRESSURE: 4399200 -29.2838 217.602 15.4689 144.689 116.282 -67.8277 78.5315 -161.621 400.648 PRESSAVG: 4399200 -33.6005 13.6773 -34.2644 13.6773 42.2793 -43.1543 -34.2644 -43.1544 0.452848 GPRESSAVG: 4399200 -33.3635 12.7613 -36.0355 14.507 42.3361 -43.6652 -32.7803 -44.1887 -0.111337 TIMING: 4399200 CPU: 12782.5, 0.00289669/step Wall: 12782.5, 0.00289669/step, 0.483426 hours remaining, 207.917969 MB of memory in use. ENERGY: 4399200 722.7287 2104.4521 1979.4775 106.4879 -206391.4828 18099.1574 0.0000 0.0000 34536.8397 -148842.3395 301.6188 -183379.1792 -148745.8230 299.7310 131.4915 162.5484 558477.8356 3.0439 2.9537 PRESSURE: 4399400 -7.42304 60.8967 -140.307 60.8967 359.677 44.087 -140.309 44.0843 -82.4844 GPRESSURE: 4399400 36.4651 -28.3759 -98.5744 191.271 368.313 32.9955 -151.395 81.3455 -38.536 PRESSAVG: 4399400 -37.5342 35.067 -64.3117 35.067 70.1961 29.2668 -64.3119 29.2667 -7.05412 GPRESSAVG: 4399400 -36.9442 35.5413 -62.4237 32.7667 70.15 27.9984 -63.9075 30.6119 -7.60038 TIMING: 4399400 CPU: 12783.1, 0.00289451/step Wall: 12783.1, 0.00289451/step, 0.4829 hours remaining, 207.917969 MB of memory in use. ENERGY: 4399400 700.1427 2112.8390 1968.2173 124.1394 -206080.0980 17889.3429 0.0000 0.0000 34307.5933 -148977.8234 299.6167 -183285.4167 -148885.8942 299.9036 89.9231 122.0807 557950.8584 8.5359 8.5352 PRESSURE: 4399600 -352.178 -40.0487 -36.111 -40.0496 -138.362 -75.3516 -36.1111 -75.3516 5.3139 GPRESSURE: 4399600 -309.809 -47.355 16.2699 15.9325 -115.316 -66.1299 -38.2501 10.561 33.5469 PRESSAVG: 4399600 34.8041 18.1196 -35.7524 18.1197 -27.948 3.2323 -35.7524 3.2322 -16.7579 GPRESSAVG: 4399600 35.7535 18.6444 -37.231 19.0872 -29.3925 5.54861 -37.1513 1.56978 -16.7531 TIMING: 4399600 CPU: 12783.7, 0.00292212/step Wall: 12783.7, 0.00292212/step, 0.487344 hours remaining, 207.917969 MB of memory in use. ENERGY: 4399600 735.5476 2098.7475 1976.1323 112.6875 -205643.7060 17579.9808 0.0000 0.0000 34323.9576 -148816.6526 299.7597 -183140.6102 -148713.2535 299.8741 -161.7420 -130.5260 559182.2226 -3.3006 -3.4640 PRESSURE: 4399800 219.858 96.7313 62.4573 96.7313 -129.77 169.886 62.4572 169.886 32.2333 GPRESSURE: 4399800 209.034 125.889 142.042 114.008 -52.689 109.064 34.0411 170.654 61.4217 PRESSAVG: 4399800 -3.68054 23.0093 14.0018 23.0094 -62.49 -13.351 14.0018 -13.3511 47.9335 GPRESSAVG: 4399800 -5.60569 21.9229 14.8826 24.0774 -60.2419 -14.1597 14.0501 -12.7857 47.4709 TIMING: 4399800 CPU: 12784.2, 0.00290248/step Wall: 12784.2, 0.00290248/step, 0.483907 hours remaining, 207.917969 MB of memory in use. ENERGY: 4399800 736.9860 2090.0060 1925.6938 114.2727 -206201.7325 17941.1218 0.0000 0.0000 34512.8098 -148880.8424 301.4090 -183393.6523 -148789.2573 299.7208 40.7740 72.5891 557822.4910 -6.0790 -6.1255 PRESSURE: 4400000 -220.899 78.1925 -15.9838 78.1919 -77.067 85.4731 -15.9829 85.4731 -59.6375 GPRESSURE: 4400000 -214.315 8.42103 7.62046 72.0391 17.9254 28.9799 7.11424 43.1405 -82.5548 PRESSAVG: 4400000 -3.50909 31.2868 13.5685 31.2869 13.3563 -2.88655 13.5685 -2.88664 -16.0693 GPRESSAVG: 4400000 -3.28845 31.9627 14.6476 29.3253 11.8359 -0.815532 14.4785 -2.95444 -15.4443 TIMING: 4400000 CPU: 12784.8, 0.00290011/step Wall: 12784.8, 0.0029001/step, 0.483351 hours remaining, 207.917969 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: 4400000 751.7118 2090.9633 1997.8464 112.1759 -206134.1527 17745.6611 0.0000 0.0000 34356.6388 -149079.1554 300.0451 -183435.7941 -148974.7719 300.2837 -119.2011 -92.9814 557367.6803 -2.0740 -2.2989 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.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 125.083 58.0831 -33.7363 58.0834 89.5775 -98.9097 -33.737 -98.9101 108.853 GPRESSURE: 4400200 89.7632 -22.3195 -1.55717 139.848 199.245 -73.7271 5.53446 -51.1557 117.722 PRESSAVG: 4400200 -3.45936 10.4343 -10.8078 10.4342 -6.38518 -21.3576 -10.8078 -21.3575 12.0683 GPRESSAVG: 4400200 -3.7223 11.9587 -12.1939 14.3808 -6.09124 -25.2563 -12.1218 -17.1042 11.629 TIMING: 4400200 CPU: 12785.4, 0.0029728/step Wall: 12785.4, 0.0029728/step, 0.495302 hours remaining, 208.042969 MB of memory in use. ENERGY: 4400200 748.5314 2089.0716 1977.0327 114.0245 -206497.7800 18136.0914 0.0000 0.0000 34381.5831 -149051.4452 300.2629 -183433.0283 -148959.3238 300.2948 107.8378 135.5767 557856.6108 0.7412 0.6052 LDB: ============= START OF LOAD BALANCING ============== 12788.9 LDB: ============== END OF LOAD BALANCING =============== 12788.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12788.9 LDB: ============= START OF LOAD BALANCING ============== 12789.2 LDB: Largest compute 4848 load 0.027575 is 23.4% of average load 0.117745 LDB: Average compute 0.001726 is 1.5% of average load 0.117745 LDB: TIME 12789.2 LOAD: AVG 0.117745 MAX 0.182245 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.832 MB LDB: TIME 12789.2 LOAD: AVG 0.117745 MAX 0.182245 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.832 MB LDB: TIME 12789.2 LOAD: AVG 0.117745 MAX 0.182245 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.832 MB LDB: ============== END OF LOAD BALANCING =============== 12789.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12789.2 PRESSURE: 4400400 -99.3196 -76.2495 27.4841 -76.2499 -150.357 106.793 27.4847 106.793 15.3091 GPRESSURE: 4400400 -50.8408 -123.926 93.4569 -11.4586 -114.208 135.332 57.3853 97.6268 23.3496 PRESSAVG: 4400400 -10.0265 20.8351 15.9783 20.835 25.1766 -2.30881 15.9784 -2.30876 18.9315 GPRESSAVG: 4400400 -10.6061 19.6182 16.1851 18.4301 24.2061 -0.370323 17.4729 -4.83653 20.813 TIMING: 4400400 CPU: 12786, 0.00298014/step Wall: 12786, 0.00298014/step, 0.496359 hours remaining, 207.136719 MB of memory in use. ENERGY: 4400400 732.6259 2145.3162 1966.9838 115.2626 -205810.2355 17657.5165 0.0000 0.0000 34054.8511 -149137.6794 297.4095 -183192.5304 -149048.7275 299.7569 -78.1224 -47.2331 559339.9184 11.3605 11.4710 PRESSURE: 4400600 153.179 -28.7537 -103.445 -28.7533 42.9214 -67.2457 -103.446 -67.2469 92.5395 GPRESSURE: 4400600 160.858 49.0363 -93.4466 32.3643 87.5312 -100.229 -92.2981 -5.03402 139.632 PRESSAVG: 4400600 36.241 51.7935 -22.1748 51.7935 -56.4745 -44.8956 -22.1748 -44.8955 -33.7833 GPRESSAVG: 4400600 36.0336 51.7295 -24.1154 50.9716 -54.5268 -46.0643 -22.625 -45.596 -35.376 TIMING: 4400600 CPU: 12786.6, 0.0029272/step Wall: 12786.6, 0.0029272/step, 0.487379 hours remaining, 207.136719 MB of memory in use. ENERGY: 4400600 788.8056 2072.1290 1946.1866 111.5156 -206462.9539 18053.8247 0.0000 0.0000 34377.4585 -149113.0339 300.2269 -183490.4924 -149013.3864 299.0664 96.2134 129.3404 557774.5558 -18.0056 -17.9564 PRESSURE: 4400800 98.2968 92.3416 123.135 92.3431 266.124 -53.3391 123.136 -53.3386 -103.404 GPRESSURE: 4400800 135.172 155.302 131.452 5.39126 332.166 -101.986 139.661 -64.0043 -103.905 PRESSAVG: 4400800 44.7875 8.34487 -20.4732 8.34489 -38.1602 -16.494 -20.4733 -16.494 -0.217024 GPRESSAVG: 4400800 45.3256 11.2878 -18.3842 6.50044 -39.4623 -15.3489 -21.736 -17.2505 0.523091 TIMING: 4400800 CPU: 12787.2, 0.00289256/step Wall: 12787.2, 0.00289256/step, 0.481451 hours remaining, 207.339844 MB of memory in use. ENERGY: 4400800 728.9859 2102.7783 1935.1877 102.4615 -206538.0900 18019.2808 0.0000 0.0000 34506.6791 -149142.7167 301.3554 -183649.3958 -149036.9724 299.8349 87.0057 121.1443 556745.1992 2.1368 2.1288 PRESSURE: 4401000 129.19 97.2433 -113.059 97.2418 155.478 -30.1062 -113.06 -30.1055 -153.549 GPRESSURE: 4401000 144.252 112.726 -153.356 55.9321 176.208 -8.16746 -30.8566 -11.2544 -96.1973 PRESSAVG: 4401000 27.6554 12.8368 -21.1912 12.8367 -12.6905 -37.2678 -21.1913 -37.2678 -53.0324 GPRESSAVG: 4401000 27.2824 9.49435 -23.2655 15.687 -12.4135 -37.3766 -19.5241 -37.1402 -53.5388 TIMING: 4401000 CPU: 12787.8, 0.00290291/step Wall: 12787.8, 0.00290291/step, 0.483013 hours remaining, 207.339844 MB of memory in use. ENERGY: 4401000 742.4215 2058.9287 1958.6482 135.0899 -206472.8650 17980.8348 0.0000 0.0000 34405.9129 -149191.0290 300.4754 -183596.9419 -149094.3670 298.9496 43.7064 74.7542 557652.8423 -12.6892 -12.8899 PRESSURE: 4401200 104.6 90.0913 122.224 90.0909 3.31428 -199.261 122.225 -199.263 104.386 GPRESSURE: 4401200 97.4453 79.5903 233.358 78.3179 36.8185 -212.464 45.5137 -128.567 173.629 PRESSAVG: 4401200 -61.1401 74.1538 43.7579 74.1538 33.8036 1.89186 43.758 1.89191 49.7307 GPRESSAVG: 4401200 -60.0255 75.5342 47.4435 74.4404 33.2169 0.677792 40.521 2.554 48.8494 TIMING: 4401200 CPU: 12788.3, 0.00288897/step Wall: 12788.3, 0.00288897/step, 0.480532 hours remaining, 207.339844 MB of memory in use. ENERGY: 4401200 740.7551 2074.3051 1962.9669 101.7807 -206218.0435 17781.3951 0.0000 0.0000 34292.4211 -149264.4194 299.4842 -183556.8405 -149165.5171 299.1662 70.7669 102.6308 557047.3422 7.4647 7.3470 PRESSURE: 4401400 -27.5159 142.825 -141.735 142.826 122.308 25.5238 -141.735 25.5238 -183.697 GPRESSURE: 4401400 -66.8896 114.504 -141.792 97.9646 171.061 50.3362 -141.109 1.66549 -102.008 PRESSAVG: 4401400 6.14059 51.6585 -43.9068 51.6586 18.8019 14.9387 -43.9069 14.9386 -14.9571 GPRESSAVG: 4401400 5.26001 50.77 -45.5255 51.1854 18.5594 15.8692 -41.7312 13.0148 -14.049 TIMING: 4401400 CPU: 12788.9, 0.00293175/step Wall: 12788.9, 0.00293175/step, 0.487486 hours remaining, 207.339844 MB of memory in use. ENERGY: 4401400 745.3368 2082.7458 1954.7152 108.1873 -206194.5036 17795.1840 0.0000 0.0000 34260.2641 -149248.0703 299.2034 -183508.3344 -149154.6040 299.0601 -29.6347 0.7209 558560.8835 3.3285 3.2568 PRESSURE: 4401600 -130.8 98.127 -9.98131 98.1259 208.293 -54.64 -9.98068 -54.6381 225.296 GPRESSURE: 4401600 -24.5025 121.302 -19.1422 65.8728 201.863 -26.7815 47.3059 -62.1526 223.157 PRESSAVG: 4401600 -62.591 0.126404 31.2465 0.12643 76.5532 -64.5471 31.2465 -64.5472 -5.11297 GPRESSAVG: 4401600 -62.1871 2.61853 32.2106 -2.84328 77.3741 -63.7895 29.478 -64.1444 -6.332 TIMING: 4401600 CPU: 12789.5, 0.0029214/step Wall: 12789.5, 0.0029214/step, 0.485602 hours remaining, 207.339844 MB of memory in use. ENERGY: 4401600 714.8971 2074.3254 1962.1871 110.9028 -206469.6920 18013.9764 0.0000 0.0000 34246.2880 -149347.1153 299.0814 -183593.4033 -149258.4224 299.0128 100.9297 133.5059 556063.7191 2.9497 2.9517 PRESSURE: 4401800 42.3602 123.505 -95.0914 123.504 111.808 -68.3061 -95.0907 -68.3058 15.6705 GPRESSURE: 4401800 49.9435 138.002 21.65 81.2466 140.106 -164.054 -104.62 -77.3125 73.4397 PRESSAVG: 4401800 -9.5144 46.6431 76.2498 46.643 -58.462 -12.6444 76.2498 -12.6444 88.6307 GPRESSAVG: 4401800 -10.6174 46.4814 75.3578 48.7481 -58.0585 -14.0411 78.7248 -11.5725 89.0897 TIMING: 4401800 CPU: 12790.1, 0.0029155/step Wall: 12790.1, 0.00291551/step, 0.48446 hours remaining, 207.339844 MB of memory in use. ENERGY: 4401800 767.2482 2058.0099 1923.5082 125.3300 -206293.5269 17859.4594 0.0000 0.0000 34130.7906 -149429.1806 298.0727 -183559.9712 -149326.0012 299.1155 56.6127 87.8299 556942.7751 6.8848 6.8046 PRESSURE: 4402000 -75.982 17.9046 64.8018 17.9041 -34.5468 -157.841 64.8019 -157.841 -150.991 GPRESSURE: 4402000 -56.6095 42.6826 115.341 14.821 10.126 -161.545 33.0689 -178.887 -117.675 PRESSAVG: 4402000 -31.0829 27.9604 -35.3454 27.9604 13.2268 49.2774 -35.3455 49.2776 -0.690282 GPRESSAVG: 4402000 -31.4445 27.212 -36.2841 28.3001 13.519 50.669 -35.815 48.5491 -0.044897 TIMING: 4402000 CPU: 12790.7, 0.00291367/step Wall: 12790.7, 0.00291367/step, 0.483993 hours remaining, 207.339844 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: 4402000 739.9081 2034.7911 1941.3560 110.2639 -206889.7149 18001.8269 0.0000 0.0000 34453.6639 -149607.9051 300.8924 -184061.5690 -149508.2582 298.2183 -87.1732 -54.7194 557553.7823 -6.1821 -5.9901 PRESSURE: 4402200 -123.083 122.441 6.44652 122.44 -34.3234 139.839 6.44592 139.839 12.165 GPRESSURE: 4402200 -116.408 76.1463 64.8129 48.056 -42.746 95.9242 -10.0527 157.29 98.2025 PRESSAVG: 4402200 -13.4759 -11.9098 -14.2574 -11.9099 3.01668 -43.1392 -14.2574 -43.1392 9.63962 GPRESSAVG: 4402200 -12.7891 -11.6394 -12.3315 -14.6081 1.60402 -44.738 -15.9536 -42.2976 10.2995 TIMING: 4402200 CPU: 12791.3, 0.00290886/step Wall: 12791.3, 0.00290886/step, 0.483032 hours remaining, 207.339844 MB of memory in use. ENERGY: 4402200 717.4255 2069.5359 1950.6178 110.6790 -206361.1483 17847.9430 0.0000 0.0000 34180.2826 -149484.6644 298.5049 -183664.9469 -149395.6401 297.8177 -48.4137 -20.3170 558282.7120 -0.2732 -0.2952 PRESSURE: 4402400 -38.6772 112.771 32.2707 112.771 -57.2937 89.4446 32.2707 89.4451 25.9887 GPRESSURE: 4402400 3.04165 129.059 42.7922 112.668 -24.8536 51.5124 45.5896 72.4426 46.0931 PRESSAVG: 4402400 29.6278 7.72649 4.90943 7.72661 -12.8125 10.4439 4.9095 10.4437 27.144 GPRESSAVG: 4402400 30.107 7.36868 3.71747 9.83967 -11.815 13.0778 5.68277 8.4392 25.2369 TIMING: 4402400 CPU: 12791.8, 0.00291536/step Wall: 12791.8, 0.00291536/step, 0.483951 hours remaining, 207.339844 MB of memory in use. ENERGY: 4402400 738.2637 2067.2367 1953.5319 119.2411 -206560.0373 17868.0936 0.0000 0.0000 34214.9415 -149598.7287 298.8076 -183813.6702 -149500.7348 299.1523 -23.3274 8.0937 558036.0337 14.6531 14.5096 PRESSURE: 4402600 -178.057 -36.5429 -48.6276 -36.5434 -144.552 127.365 -48.6262 127.364 -280.55 GPRESSURE: 4402600 -132.418 9.21975 30.1735 -100.079 -137.263 194.151 -156.383 138.481 -231.563 PRESSAVG: 4402600 73.0025 -29.086 14.6172 -29.0861 -72.6902 -33.4276 14.6173 -33.4277 -1.28916 GPRESSAVG: 4402600 73.4351 -29.169 15.9738 -30.1818 -72.6066 -33.5209 14.791 -34.4958 -1.92743 TIMING: 4402600 CPU: 12792.4, 0.00288969/step Wall: 12792.4, 0.00288969/step, 0.479528 hours remaining, 207.339844 MB of memory in use. ENERGY: 4402600 757.0142 2058.1698 1945.5781 121.0983 -206101.2836 17638.3744 0.0000 0.0000 34032.2292 -149548.8196 297.2119 -183581.0489 -149448.6518 298.5583 -201.0528 -167.0813 559172.7186 -0.3256 -0.3663 PRESSURE: 4402800 -186.561 15.8354 24.978 15.8356 148.976 -209.749 24.9777 -209.748 -90.4633 GPRESSURE: 4402800 -186.251 31.3187 36.4711 -66.026 214.225 -184.632 -2.69479 -244.24 -51.7198 PRESSAVG: 4402800 59.0559 20.4085 32.2575 20.4084 -24.669 8.72825 32.2576 8.72829 -27.5273 GPRESSAVG: 4402800 58.9197 19.4493 31.1078 19.6841 -25.8165 9.84513 30.4258 8.42922 -26.639 TIMING: 4402800 CPU: 12793, 0.00287893/step Wall: 12793, 0.00287893/step, 0.477582 hours remaining, 207.339844 MB of memory in use. ENERGY: 4402800 778.4293 2089.5529 1966.6498 118.1768 -206343.4847 17944.6560 0.0000 0.0000 34184.4284 -149261.5915 298.5411 -183446.0199 -149169.8025 298.4726 -42.6825 -7.9151 558119.0607 2.2865 2.1547 PRESSURE: 4403000 -301.86 5.81428 75.123 5.81549 -11.7839 17.7367 75.1236 17.7383 -161.774 GPRESSURE: 4403000 -231.627 44.0785 68.3975 3.60205 26.4975 35.1432 135.011 -4.48598 -168.706 PRESSAVG: 4403000 -10.0249 31.6483 8.37477 31.6483 -16.8958 4.28057 8.37478 4.2806 33.4685 GPRESSAVG: 4403000 -9.92724 32.6116 9.03464 32.6967 -16.4931 3.90835 9.57017 5.89293 33.1894 TIMING: 4403000 CPU: 12793.6, 0.00288662/step Wall: 12793.6, 0.00288662/step, 0.478697 hours remaining, 207.339844 MB of memory in use. ENERGY: 4403000 769.2930 2086.7761 1958.7904 110.3344 -206104.7441 17598.4934 0.0000 0.0000 34203.1946 -149377.8622 298.7050 -183581.0568 -149282.1320 298.6006 -158.4725 -124.6120 558251.0135 2.1826 2.2564 PRESSURE: 4403200 -207.471 33.0044 20.5551 33.006 68.7769 170.014 20.5547 170.016 46.852 GPRESSURE: 4403200 -230.651 25.3015 -20.4516 96.5398 158.837 185.371 29.7786 112.776 66.6783 PRESSAVG: 4403200 -16.3921 40.1333 -50.7929 40.1333 -12.2329 55.0884 -50.7929 55.0884 11.4069 GPRESSAVG: 4403200 -17.1439 41.3534 -50.1235 41.4241 -11.7654 53.7927 -50.7368 54.4326 11.367 TIMING: 4403200 CPU: 12794.1, 0.00290079/step Wall: 12794.1, 0.00290079/step, 0.480887 hours remaining, 207.339844 MB of memory in use. ENERGY: 4403200 768.4286 2131.5810 1926.1969 119.3459 -206290.9235 17810.3167 0.0000 0.0000 34139.5315 -149395.5229 298.1490 -183535.0544 -149297.1470 298.4959 -30.6140 -1.7119 557367.3900 -5.7394 -5.8475 PRESSURE: 4403400 53.6957 61.785 -38.6761 61.7845 186.478 -124.303 -38.6758 -124.301 1.33126 GPRESSURE: 4403400 81.8579 96.0049 -78.3012 55.612 218.178 -168.984 -26.0691 -75.9716 32.7174 PRESSAVG: 4403400 -14.7155 24.2557 31.5125 24.2557 40.2328 17.0346 31.5125 17.0346 -66.7952 GPRESSAVG: 4403400 -12.784 23.0154 29.6688 23.54 38.2936 17.4936 31.5832 18.198 -66.4301 TIMING: 4403400 CPU: 12794.7, 0.00290426/step Wall: 12794.7, 0.00290426/step, 0.4813 hours remaining, 207.339844 MB of memory in use. ENERGY: 4403400 724.2193 2137.1177 1946.6012 115.3637 -206230.8200 17862.1284 0.0000 0.0000 34123.2172 -149322.1724 298.0065 -183445.3896 -149225.2294 298.3925 80.5017 110.9179 558089.1987 -13.7593 -13.6402 PRESSURE: 4403600 97.8585 219.902 -78.4006 219.901 303.013 -27.3853 -78.4016 -27.3855 49.6269 GPRESSURE: 4403600 207.807 163.299 -126.214 318.62 270.518 -41.8204 -15.6771 27.5489 67.1179 PRESSAVG: 4403600 -44.0273 23.1638 9.31681 23.1639 6.21687 2.96085 9.31677 2.96073 21.4335 GPRESSAVG: 4403600 -44.6063 22.6006 9.55964 24.4058 7.60533 2.95806 11.4559 3.76872 21.1609 TIMING: 4403600 CPU: 12795.3, 0.0029051/step Wall: 12795.3, 0.0029051/step, 0.481278 hours remaining, 207.339844 MB of memory in use. ENERGY: 4403600 750.8384 2097.5621 1945.9081 109.4940 -206315.5798 17994.0214 0.0000 0.0000 34167.2289 -149250.5269 298.3909 -183417.7558 -149152.9777 298.9311 150.1660 181.8143 557142.4443 -5.4590 -5.2800 PRESSURE: 4403800 -262.799 74.4268 -32.818 74.4265 -82.5796 53.9353 -32.8194 53.9356 -190.828 GPRESSURE: 4403800 -198.046 82.0718 8.28422 83.4994 -41.7995 55.148 -98.5486 107.387 -196.033 PRESSAVG: 4403800 -41.5365 45.1153 -19.2312 45.1153 -34.0511 13.6722 -19.2313 13.6722 75.283 GPRESSAVG: 4403800 -42.5992 46.1364 -17.5472 43.9636 -34.0258 13.5406 -21.4295 13.5585 76.1504 TIMING: 4403800 CPU: 12795.9, 0.00292329/step Wall: 12795.9, 0.00292329/step, 0.484129 hours remaining, 207.339844 MB of memory in use. ENERGY: 4403800 759.7349 2043.8172 1962.0048 123.9553 -206379.2463 17762.7563 0.0000 0.0000 34323.6803 -149403.2975 299.7572 -183726.9779 -149308.8482 298.5776 -178.7356 -145.2928 559063.8626 -0.1016 -0.1582 PRESSURE: 4404000 -137.423 73.5756 -189.427 73.5772 5.15388 102.2 -189.426 102.198 69.4013 GPRESSURE: 4404000 -50.6541 106.835 -253.152 -26.5461 26.5 136.027 -128.848 -24.3253 65.022 PRESSAVG: 4404000 -27.7349 -10.721 -78.0636 -10.721 10.5822 15.8987 -78.0635 15.8987 68.547 GPRESSAVG: 4404000 -27.8147 -10.3785 -77.7522 -10.8587 10.9628 14.7156 -78.2329 16.317 68.2535 TIMING: 4404000 CPU: 12796.5, 0.00292223/step Wall: 12796.5, 0.00292223/step, 0.483792 hours remaining, 207.339844 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: 4404000 763.5291 2062.3193 1979.5907 129.9779 -206357.0709 17871.8388 0.0000 0.0000 34073.8986 -149475.9164 297.5758 -183549.8150 -149377.8013 298.8624 -20.9560 13.6226 558728.5325 17.1314 17.1339 PRESSURE: 4404200 -97.0569 36.7679 -140.083 36.7669 39.9424 -76.9415 -140.082 -76.9416 -372.106 GPRESSURE: 4404200 -53.8969 96.3595 -115.96 40.694 70.8185 -40.9489 -103.677 -83.6239 -349.333 PRESSAVG: 4404200 -52.6618 7.31191 -49.9542 7.31204 5.41663 -7.28093 -49.9541 -7.2809 -23.498 GPRESSAVG: 4404200 -52.6148 7.61654 -52.3079 6.81631 5.6227 -8.33768 -47.8387 -5.5743 -23.9925 TIMING: 4404200 CPU: 12797.1, 0.00293321/step Wall: 12797.1, 0.00293321/step, 0.485446 hours remaining, 207.339844 MB of memory in use. ENERGY: 4404200 745.7278 2080.8334 1956.9070 105.5249 -206087.9834 17573.8705 0.0000 0.0000 34144.5058 -149480.6140 298.1925 -183625.1198 -149383.7700 298.3695 -143.0737 -110.8037 558279.3831 -23.5811 -23.6616 LDB: ============= START OF LOAD BALANCING ============== 12800.5 LDB: ============== END OF LOAD BALANCING =============== 12800.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12800.5 LDB: ============= START OF LOAD BALANCING ============== 12800.8 LDB: Largest compute 4848 load 0.025620 is 21.8% of average load 0.117744 LDB: Average compute 0.001733 is 1.5% of average load 0.117744 LDB: TIME 12800.8 LOAD: AVG 0.117744 MAX 0.179259 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 12800.8 LOAD: AVG 0.117744 MAX 0.179259 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: TIME 12800.8 LOAD: AVG 0.117744 MAX 0.179259 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12800.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12800.8 PRESSURE: 4404400 302.415 14.3163 -100.377 14.3155 44.0588 117.39 -100.379 117.389 -28.7807 GPRESSURE: 4404400 316.763 -72.8193 -148.302 64.7726 83.0177 197.828 -64.3735 27.9447 13.9633 PRESSAVG: 4404400 10.4537 -14.8888 -35.836 -14.8888 64.7787 -11.7066 -35.8361 -11.7067 -51.0204 GPRESSAVG: 4404400 9.4139 -16.7941 -33.1731 -14.0798 64.2467 -9.04378 -38.5779 -12.7737 -50.3081 TIMING: 4404400 CPU: 12797.7, 0.002998/step Wall: 12797.7, 0.002998/step, 0.496002 hours remaining, 207.191406 MB of memory in use. ENERGY: 4404400 728.6223 2091.5579 1957.4231 106.2787 -206286.4689 17874.1946 0.0000 0.0000 33950.3389 -149578.0535 296.4968 -183528.3923 -149486.1359 298.6649 105.8978 137.9148 557509.1967 8.0707 7.7842 PRESSURE: 4404600 -292.526 -3.1869 115.929 -3.18626 -101.869 51.196 115.928 51.1956 -67.9052 GPRESSURE: 4404600 -233.637 10.3469 36.7452 38.0221 -115.481 71.0802 121.829 33.6526 -20.0641 PRESSAVG: 4404600 -64.5079 8.42071 -1.74506 8.42078 56.9242 -10.1343 -1.74507 -10.1345 27.2378 GPRESSAVG: 4404600 -64.9249 10.0727 -2.256 6.52393 57.3811 -11.772 -0.906984 -10.838 27.3782 TIMING: 4404600 CPU: 12798.2, 0.00290279/step Wall: 12798.2, 0.00290279/step, 0.480089 hours remaining, 207.191406 MB of memory in use. ENERGY: 4404600 707.6679 2102.1069 1970.0720 117.3266 -206358.2375 17674.7922 0.0000 0.0000 34102.5809 -149683.6910 297.8263 -183786.2719 -149584.5960 298.1038 -154.1001 -123.0605 557383.7401 6.5514 6.6115 PRESSURE: 4404800 -76.5213 25.3064 76.9244 25.3064 127.447 14.4439 76.9252 14.4451 497.09 GPRESSURE: 4404800 3.97596 -30.1301 75.5318 -15.0108 139.235 47.4218 125.992 -29.5479 500.846 PRESSAVG: 4404800 -86.6531 -1.58774 65.7038 -1.58771 26.3284 19.6729 65.7038 19.6731 20.0718 GPRESSAVG: 4404800 -85.4239 -2.8497 67.1202 -0.0131621 25.4556 21.2696 63.8862 18.627 19.3192 TIMING: 4404800 CPU: 12798.8, 0.00287811/step Wall: 12798.8, 0.00287811/step, 0.475848 hours remaining, 207.191406 MB of memory in use. ENERGY: 4404800 709.5656 2076.7977 2000.2776 94.6859 -207214.6397 18141.4809 0.0000 0.0000 34382.3012 -149809.5309 300.2692 -184191.8321 -149715.0561 297.2124 182.6720 214.6858 555707.4001 -13.4176 -13.5497 PRESSURE: 4405000 198.082 -0.226887 129.497 -0.227266 193.232 112.357 129.497 112.354 27.5794 GPRESSURE: 4405000 226.381 52.4263 208.252 2.06797 206.934 24.5718 83.5602 128.723 78.4096 PRESSAVG: 4405000 -59.3102 8.39556 68.4278 8.39556 21.047 -12.8283 68.4278 -12.8282 38.7833 GPRESSAVG: 4405000 -60.3265 7.59099 67.498 8.93419 21.519 -15.2708 69.0019 -11.2858 39.5659 TIMING: 4405000 CPU: 12799.4, 0.0028921/step Wall: 12799.4, 0.0028921/step, 0.477999 hours remaining, 207.191406 MB of memory in use. ENERGY: 4405000 743.1124 2121.7791 1973.4136 125.6463 -206864.4087 18034.3499 0.0000 0.0000 34089.5099 -149776.5976 297.7122 -183866.1075 -149680.7866 297.9048 139.6314 170.5747 555969.5487 0.1734 0.2528 PRESSURE: 4405200 -93.8312 -65.6091 -119.314 -65.6079 -276.352 -20.6342 -119.313 -20.6338 -203.097 GPRESSURE: 4405200 -69.6724 -96.6177 -160.737 -113.182 -268.536 -94.316 -23.0928 27.545 -138.225 PRESSAVG: 4405200 -23.7554 -69.0695 23.1059 -69.0694 41.9211 -18.0543 23.1059 -18.0545 7.18355 GPRESSAVG: 4405200 -23.5708 -67.1146 22.1254 -69.2768 39.4759 -16.2872 24.8064 -19.4971 9.92566 TIMING: 4405200 CPU: 12800, 0.00290741/step Wall: 12800, 0.00290741/step, 0.480369 hours remaining, 207.191406 MB of memory in use. ENERGY: 4405200 796.5264 2068.3947 1975.8359 105.5563 -206283.7436 17593.1509 0.0000 0.0000 33933.5582 -149810.7213 296.3502 -183744.2795 -149712.8819 297.3832 -191.0935 -158.8112 555760.3460 8.4498 8.6103 PRESSURE: 4405400 -178.463 19.3764 68.5229 19.3776 -238.307 151.446 68.5217 151.446 -353.095 GPRESSURE: 4405400 -163.22 22.6279 -66.6915 13.9033 -240.297 35.6421 60.9521 178.717 -257.269 PRESSAVG: 4405400 7.56458 -49.5155 46.631 -49.5155 56.5165 -6.12587 46.631 -6.12575 -31.0653 GPRESSAVG: 4405400 6.49412 -51.0489 47.709 -49.0811 59.6752 -6.35509 45.0247 -5.74688 -33.4498 TIMING: 4405400 CPU: 12800.6, 0.00291775/step Wall: 12800.6, 0.00291775/step, 0.481915 hours remaining, 207.191406 MB of memory in use. ENERGY: 4405400 770.0601 2078.7526 1939.0571 114.4823 -206251.5023 17500.4555 0.0000 0.0000 34101.2721 -149747.4226 297.8149 -183848.6947 -149652.6761 296.9945 -256.6217 -220.2621 556969.7798 11.0052 10.9065 PRESSURE: 4405600 71.0629 29.7901 90.8228 29.7894 -99.3156 67.8337 90.8225 67.8328 -380.103 GPRESSURE: 4405600 99.5163 -59.7556 133.806 -1.77284 -49.4351 39.7141 27.9769 201.053 -357.486 PRESSAVG: 4405600 96.7226 -55.3966 -20.2781 -55.3965 -3.46906 48.7827 -20.2781 48.7828 -26.6537 GPRESSAVG: 4405600 97.1794 -56.8215 -18.5641 -56.4544 -4.34624 50.5259 -21.0533 48.2885 -26.9932 TIMING: 4405600 CPU: 12801.1, 0.00289825/step Wall: 12801.1, 0.00289825/step, 0.478533 hours remaining, 207.191406 MB of memory in use. ENERGY: 4405600 741.4016 2074.0068 1947.5239 106.6393 -206558.3901 17758.5953 0.0000 0.0000 34244.1903 -149686.0329 299.0630 -183930.2232 -149590.1372 297.5785 -136.1185 -102.4681 557276.5755 22.2000 21.9467 PRESSURE: 4405800 -114.824 24.7756 136.235 24.7759 -256.773 113.647 136.235 113.648 -55.1344 GPRESSURE: 4405800 -56.85 114.49 147.43 -58.8687 -227.595 141.838 162.06 125.086 -45.8395 PRESSAVG: 4405800 34.8526 -23.2582 13.0649 -23.2582 -7.36065 63.677 13.0649 63.677 -23.7688 GPRESSAVG: 4405800 36.1755 -20.4351 11.9988 -22.0295 -8.41974 62.8098 14.3936 63.2641 -24.4622 TIMING: 4405800 CPU: 12801.7, 0.00288693/step Wall: 12801.7, 0.00288693/step, 0.476504 hours remaining, 207.199219 MB of memory in use. ENERGY: 4405800 768.4441 2084.9564 1980.4233 121.0148 -206457.5946 17724.5403 0.0000 0.0000 34112.4428 -149665.7730 297.9124 -183778.2158 -149573.3941 298.1140 -142.2440 -110.0948 557809.7195 1.2411 1.0979 PRESSURE: 4406000 -88.766 186.311 83.3546 186.312 -293.196 24.4184 83.3544 24.4171 -343.334 GPRESSURE: 4406000 -87.7944 158.035 -22.553 152.596 -275.608 -43.2621 98.14 59.7691 -261.878 PRESSAVG: 4406000 -31.6879 11.0013 36.2515 11.0013 38.5912 74.4073 36.2515 74.4072 -1.87789 GPRESSAVG: 4406000 -32.7949 8.35646 34.4391 10.5177 37.5649 72.3985 37.0538 75.4086 1.04116 TIMING: 4406000 CPU: 12802.3, 0.0028972/step Wall: 12802.3, 0.0028972/step, 0.478037 hours remaining, 207.199219 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: 4406000 748.6205 2151.7679 1983.1475 108.4544 -206208.4365 17589.3776 0.0000 0.0000 34060.8031 -149566.2653 297.4615 -183627.0684 -149463.9741 298.5423 -241.7653 -208.4270 558281.6399 1.6751 1.9370 PRESSURE: 4406200 -242.025 29.0027 85.9288 29.0048 -259.369 -94.6223 85.9293 -94.6231 -55.4473 GPRESSURE: 4406200 -210.916 -32.373 166.585 38.2913 -196.634 -89.2414 99.2051 -62.5889 -49.3942 PRESSAVG: 4406200 -27.4554 -19.2647 32.9206 -19.2647 -17.2228 79.5364 32.9205 79.5365 40.0745 GPRESSAVG: 4406200 -27.9174 -18.7239 36.1606 -17.2321 -15.3145 81.1011 31.3466 77.4437 38.9906 TIMING: 4406200 CPU: 12802.9, 0.00289957/step Wall: 12802.9, 0.00289957/step, 0.478268 hours remaining, 207.199219 MB of memory in use. ENERGY: 4406200 735.9247 2169.5504 1989.4662 122.8146 -206146.4037 17778.0091 0.0000 0.0000 34075.0273 -149275.6114 297.5857 -183350.6387 -149181.8903 298.7308 -185.6138 -152.3149 560302.1896 -1.5346 -1.4137 PRESSURE: 4406400 -33.5713 81.548 -63.4739 81.5477 115.741 86.9336 -63.4741 86.9343 -196.833 GPRESSURE: 4406400 2.01447 -20.7974 -76.1634 103.552 75.5899 169.144 -99.1909 94.1843 -99.2468 PRESSAVG: 4406400 51.7731 -2.05329 6.60134 -2.05329 -9.26465 57.05 6.60128 57.0501 -0.909032 GPRESSAVG: 4406400 51.2969 -2.56373 4.34609 -3.99783 -10.2776 56.603 8.03407 59.3777 0.615972 TIMING: 4406400 CPU: 12803.5, 0.00288052/step Wall: 12803.5, 0.00288052/step, 0.474966 hours remaining, 207.199219 MB of memory in use. ENERGY: 4406400 756.0211 2064.2056 1960.4439 116.2420 -206085.0488 17798.6128 0.0000 0.0000 34138.8519 -149250.6714 298.1431 -183389.5234 -149154.4919 299.4262 -38.2211 -7.2141 558726.5784 13.8665 13.8784 PRESSURE: 4406600 -61.6919 99.8578 -39.949 99.8583 127.765 13.904 -39.9485 13.904 -281.935 GPRESSURE: 4406600 -20.5306 31.3878 -64.4625 165.628 135.469 61.4974 5.73527 45.388 -243.383 PRESSAVG: 4406600 -39.2716 -38.7803 -46.8056 -38.7804 17.9983 -14.8963 -46.8056 -14.8964 -8.36055 GPRESSAVG: 4406600 -38.5404 -35.0501 -47.9308 -38.3043 18.8016 -14.8843 -45.4454 -14.4315 -10.6452 TIMING: 4406600 CPU: 12804, 0.00289822/step Wall: 12804, 0.00289822/step, 0.477724 hours remaining, 207.199219 MB of memory in use. ENERGY: 4406600 764.8384 2110.7181 1958.6612 116.8096 -206244.8159 17797.8149 0.0000 0.0000 34109.1907 -149386.7830 297.8840 -183495.9737 -149286.0529 299.3267 -71.9540 -42.8148 559077.7301 -9.8780 -10.1280 PRESSURE: 4406800 -97.0509 34.9411 3.2395 34.9401 56.2876 -59.9187 3.23809 -59.9175 150.554 GPRESSURE: 4406800 -54.3759 23.1787 -21.8855 -81.6299 85.2861 -59.3617 -19.6795 -17.2049 168.221 PRESSAVG: 4406800 -10.925 -39.0761 -48.1402 -39.0762 31.2427 -30.1811 -48.1402 -30.181 -17.3158 GPRESSAVG: 4406800 -11.7715 -39.6325 -47.71 -38.3134 31.2757 -31.1574 -47.1674 -30.8851 -15.8456 TIMING: 4406800 CPU: 12804.6, 0.00288692/step Wall: 12804.6, 0.00288692/step, 0.475701 hours remaining, 207.199219 MB of memory in use. ENERGY: 4406800 722.2652 2124.2348 1953.1818 126.9517 -206866.5174 17994.0763 0.0000 0.0000 34393.6726 -149552.1349 300.3685 -183945.8075 -149458.3998 298.4620 36.5970 66.3771 557422.8413 1.0006 1.2195 PRESSURE: 4407000 -31.9577 49.2707 200.965 49.2696 133.912 53.7899 200.966 53.789 -74.1173 GPRESSURE: 4407000 -19.0877 44.379 192.396 -4.94037 216.265 -28.4351 187.56 129.593 -73.9326 PRESSAVG: 4407000 -17.0432 -1.19164 -12.0787 -1.19167 107.889 7.43184 -12.0785 7.43172 -48.7189 GPRESSAVG: 4407000 -15.0853 -4.4825 -9.39968 -1.40776 107.488 6.87642 -13.738 8.27832 -49.9829 TIMING: 4407000 CPU: 12805.2, 0.00290019/step Wall: 12805.2, 0.00290019/step, 0.477726 hours remaining, 207.199219 MB of memory in use. ENERGY: 4407000 749.0394 2051.4242 1946.0278 108.0609 -206579.1742 18027.3899 0.0000 0.0000 34070.4856 -149626.7463 297.5460 -183697.2319 -149530.9291 298.5048 9.2789 41.0815 557703.5793 14.0424 14.1399 PRESSURE: 4407200 -65.1234 -122.845 -80.2389 -122.844 78.4699 108.606 -80.2396 108.607 223.198 GPRESSURE: 4407200 -21.147 -124.161 -72.8408 -24.529 111.227 153.789 -69.6339 98.9171 236.705 PRESSAVG: 4407200 -14.6344 -34.7152 -64.5356 -34.7151 43.0577 62.1056 -64.5357 62.1056 20.1002 GPRESSAVG: 4407200 -15.6727 -32.2197 -66.8542 -35.7578 43.1471 63.9908 -64.3932 59.5376 20.894 TIMING: 4407200 CPU: 12805.8, 0.00290252/step Wall: 12805.8, 0.00290252/step, 0.477949 hours remaining, 207.199219 MB of memory in use. ENERGY: 4407200 741.5574 2079.3273 1957.8174 117.3093 -206581.9462 18038.7381 0.0000 0.0000 34152.5203 -149494.6764 298.2625 -183647.1968 -149402.9579 298.8257 78.8482 108.9282 556910.6540 16.1745 16.1228 PRESSURE: 4407400 -82.5076 74.1494 -103.785 74.1509 16.5912 -134.665 -103.785 -134.664 -109.491 GPRESSURE: 4407400 -65.0609 10.514 -99.3624 127.284 5.92335 -97.8529 -86.0316 -67.7447 -17.5844 PRESSAVG: 4407400 -43.2791 19.0374 -27.9602 19.0375 35.8014 31.224 -27.9602 31.224 -33.5019 GPRESSAVG: 4407400 -42.6951 18.1744 -27.4319 19.6918 35.2844 30.4021 -29.0807 34.0145 -33.3472 TIMING: 4407400 CPU: 12806.4, 0.00290513/step Wall: 12806.4, 0.00290513/step, 0.478217 hours remaining, 207.199219 MB of memory in use. ENERGY: 4407400 715.9710 2099.9458 1963.5284 108.1842 -205991.5584 17671.9064 0.0000 0.0000 34161.0158 -149271.0068 298.3366 -183432.0227 -149180.1876 298.5543 -58.4692 -25.5740 557890.2867 -13.6599 -13.5860 PRESSURE: 4407600 -96.2318 5.7159 88.8308 5.71773 -13.0812 -8.00052 88.829 -8.0001 103.383 GPRESSURE: 4407600 -40.2712 53.5212 103.087 -82.1596 38.1282 -41.0959 -10.0249 -2.31922 103.687 PRESSAVG: 4407600 -36.5971 -28.2429 -51.5236 -28.2429 27.2258 8.67998 -51.5236 8.67994 17.322 GPRESSAVG: 4407600 -35.5683 -28.1304 -52.2443 -28.4009 27.4694 11.2404 -50.1128 6.06496 15.4868 TIMING: 4407600 CPU: 12806.9, 0.0028804/step Wall: 12806.9, 0.0028804/step, 0.473985 hours remaining, 207.199219 MB of memory in use. ENERGY: 4407600 747.3967 2050.4215 1963.3337 103.8831 -206260.5253 17924.1973 0.0000 0.0000 34404.0674 -149067.2255 300.4593 -183471.2929 -148973.8103 299.2171 -1.9768 33.8479 557514.6025 2.6502 2.4626 PRESSURE: 4407800 -159.616 -22.232 -62.5576 -22.2321 -197.282 46.0153 -62.5571 46.0154 -105.096 GPRESSURE: 4407800 -161.56 -78.8757 -106.401 56.3601 -135.495 -9.51279 -6.62577 -9.24676 -68.2189 PRESSAVG: 4407800 -17.1042 -18.6573 37.4112 -18.6573 10.9127 8.4919 37.4111 8.49176 0.712711 GPRESSAVG: 4407800 -18.8103 -20.0159 36.2216 -18.0126 10.8459 5.92728 37.3777 10.8246 2.41551 TIMING: 4407800 CPU: 12807.5, 0.0028988/step Wall: 12807.5, 0.0028988/step, 0.476853 hours remaining, 207.199219 MB of memory in use. ENERGY: 4407800 775.5574 2087.2997 1990.3069 106.9280 -206230.5998 17803.3684 0.0000 0.0000 34363.0455 -149104.0938 300.1010 -183467.1393 -149011.2316 299.8681 -153.9978 -121.7580 559825.7935 -1.8263 -1.8496 PRESSURE: 4408000 53.6747 -97.8502 141.193 -97.8512 -222.682 -87.3307 141.193 -87.3305 85.5219 GPRESSURE: 4408000 123.423 -71.8199 161.991 -187.481 -131.058 -57.6088 152.814 -137.669 21.4231 PRESSAVG: 4408000 47.0159 51.7021 34.6369 51.7021 -35.321 -44.8433 34.6369 -44.8432 24.4177 GPRESSAVG: 4408000 47.3294 53.6478 38.1927 50.816 -35.2732 -41.7741 31.9488 -46.6807 24.221 TIMING: 4408000 CPU: 12808.1, 0.00289567/step Wall: 12808.1, 0.00289567/step, 0.476177 hours remaining, 207.199219 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: 4408000 737.0324 2100.6654 1977.6468 118.0514 -206588.0285 18068.6207 0.0000 0.0000 34401.5554 -149184.4564 300.4373 -183586.0118 -149092.7375 300.1002 -27.8284 4.5959 559687.1128 12.0375 12.0924 PRESSURE: 4408200 154.749 -147.159 -15.5242 -147.16 -154.809 213.197 -15.5246 213.196 -131.227 GPRESSURE: 4408200 121.314 -172.084 43.2825 -59.4352 -99.0857 134.234 -58.7059 223.466 -52.5598 PRESSAVG: 4408200 -1.97671 48.3752 13.8187 48.3752 -37.9872 -58.8461 13.8186 -58.8461 62.8705 GPRESSAVG: 4408200 -1.50844 47.6958 11.6128 49.3291 -39.0306 -60.9421 15.6941 -58.1617 63.0722 TIMING: 4408200 CPU: 12808.7, 0.00292307/step Wall: 12808.7, 0.00292307/step, 0.48052 hours remaining, 207.199219 MB of memory in use. ENERGY: 4408200 724.0915 2077.7540 1970.4831 121.5804 -205888.9605 17469.1223 0.0000 0.0000 34288.8849 -149237.0443 299.4534 -183525.9292 -149137.6509 299.1948 -43.7624 -10.1106 556974.7918 7.6355 7.5110 LDB: ============= START OF LOAD BALANCING ============== 12812.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12812.1 LDB: =============== DONE WITH MIGRATION ================ 12812.1 LDB: ============= START OF LOAD BALANCING ============== 12812.4 LDB: Largest compute 4848 load 0.027477 is 23.3% of average load 0.117743 LDB: Average compute 0.001735 is 1.5% of average load 0.117743 LDB: TIME 12812.4 LOAD: AVG 0.117743 MAX 0.182113 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.852 MB LDB: TIME 12812.4 LOAD: AVG 0.117743 MAX 0.182113 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: TIME 12812.4 LOAD: AVG 0.117743 MAX 0.182113 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: ============== END OF LOAD BALANCING =============== 12812.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12812.4 PRESSURE: 4408400 -13.4384 0.0980008 -67.0911 0.0982446 72.9699 89.2576 -67.0921 89.2589 165.658 GPRESSURE: 4408400 92.7867 -52.2134 -71.3872 24.8715 46.4504 121.175 -189.942 67.8582 173.515 PRESSAVG: 4408400 69.658 25.3454 -26.8856 25.3454 -17.1708 -0.64793 -26.8856 -0.647868 -61.7722 GPRESSAVG: 4408400 69.6254 26.4303 -26.5193 24.4691 -16.5504 0.153938 -27.1802 0.0066192 -61.9591 TIMING: 4408400 CPU: 12809.3, 0.00295632/step Wall: 12809.3, 0.00295632/step, 0.485823 hours remaining, 207.277344 MB of memory in use. ENERGY: 4408400 747.4458 2099.8115 1957.9306 124.3516 -206620.5758 18013.6266 0.0000 0.0000 34302.9152 -149374.4945 299.5759 -183677.4097 -149281.2603 299.1704 75.0631 104.2506 555766.9017 -3.0950 -2.9614 PRESSURE: 4408600 201.158 -42.2933 131.123 -42.2945 -29.0888 -16.5683 131.123 -16.5687 -44.2097 GPRESSURE: 4408600 184.28 -96.2521 173.542 26.5437 12.1684 -10.7483 89.0296 -111.564 33.7412 PRESSAVG: 4408600 32.3995 21.0295 -12.7098 21.0295 -18.3766 7.81342 -12.7098 7.81333 -44.4221 GPRESSAVG: 4408600 31.8002 20.6189 -13.539 20.2879 -18.9585 5.62883 -12.0075 8.42752 -42.8321 TIMING: 4408600 CPU: 12809.8, 0.00290326/step Wall: 12809.8, 0.00290326/step, 0.476941 hours remaining, 207.480469 MB of memory in use. ENERGY: 4408600 704.0925 2079.1663 1959.1128 131.6365 -206412.2109 17905.3714 0.0000 0.0000 34249.8259 -149383.0055 299.1122 -183632.8313 -149292.8886 298.9314 42.6198 76.7298 556740.8873 -10.1331 -9.9968 PRESSURE: 4408800 26.3575 -120.393 181.7 -120.393 70.7972 50.3523 181.701 50.3532 155.169 GPRESSURE: 4408800 35.727 -31.4368 212.46 -225.594 96.2576 32.6121 151.987 113.739 217.73 PRESSAVG: 4408800 -1.48129 -14.1542 -13.3307 -14.1542 77.9832 17.5121 -13.3307 17.5121 -66.6574 GPRESSAVG: 4408800 -1.79839 -13.6045 -12.5537 -15.3969 79.3073 18.4714 -15.25 17.0639 -67.5472 TIMING: 4408800 CPU: 12810.4, 0.00290094/step Wall: 12810.4, 0.00290094/step, 0.476399 hours remaining, 207.480469 MB of memory in use. ENERGY: 4408800 742.6920 2071.0997 1952.7808 115.9119 -206191.4229 17925.6784 0.0000 0.0000 34168.7719 -149214.4882 298.4044 -183383.2601 -149120.4510 298.6674 84.1080 116.5715 556277.6350 3.2815 3.3206 PRESSURE: 4409000 -248.784 -103.798 -72.1059 -103.799 -142.618 126.886 -72.1063 126.887 -99.0981 GPRESSURE: 4409000 -186.975 -160.164 -99.149 -22.8517 -159.678 92.487 -38.1831 28.6646 -55.668 PRESSAVG: 4409000 -24.5043 -78.3528 -27.525 -78.3529 75.3894 47.5593 -27.525 47.5593 -37.4301 GPRESSAVG: 4409000 -22.2182 -80.2734 -29.0821 -77.3977 73.2482 46.1028 -25.7352 47.7483 -37.6963 TIMING: 4409000 CPU: 12811, 0.00290743/step Wall: 12811, 0.00290743/step, 0.477303 hours remaining, 207.589844 MB of memory in use. ENERGY: 4409000 751.4674 2092.4552 1959.9601 109.0727 -205954.8488 17617.0545 0.0000 0.0000 34227.9268 -149196.9121 298.9210 -183424.8389 -149102.2433 299.0655 -163.5000 -134.1068 558104.9326 4.4850 4.4445 PRESSURE: 4409200 153.651 -174.358 -192.005 -174.356 71.6078 95.231 -192.004 95.2302 -239.197 GPRESSURE: 4409200 127.33 -138.589 -131.699 -246.783 105.064 64.6052 -110.992 101.559 -141.202 PRESSAVG: 4409200 2.04393 -15.4525 -14.6259 -15.4526 2.04265 7.66172 -14.626 7.66166 14.1084 GPRESSAVG: 4409200 -0.303128 -14.3417 -14.5364 -15.8133 3.68291 12.794 -13.7578 5.84325 14.943 TIMING: 4409200 CPU: 12811.6, 0.00288848/step Wall: 12811.6, 0.00288848/step, 0.474032 hours remaining, 207.589844 MB of memory in use. ENERGY: 4409200 719.7760 2075.3797 1969.4129 117.7944 -206138.9331 17750.6254 0.0000 0.0000 34358.1385 -149147.8060 300.0582 -183505.9446 -149047.3449 299.9828 -4.6460 30.3970 557846.2979 6.0650 6.1076 PRESSURE: 4409400 361.354 -43.4452 -68.9538 -43.4442 18.396 12.4935 -68.9547 12.4946 166.241 GPRESSURE: 4409400 401.207 -46.8505 -55.7898 -21.6467 24.1715 -26.2708 -45.2533 0.587867 226.269 PRESSAVG: 4409400 25.5292 9.06644 22.1091 9.06646 44.2421 23.7952 22.109 23.7953 -53.4929 GPRESSAVG: 4409400 25.4175 8.28734 20.5905 9.26338 43.7135 19.884 21.0954 26.3714 -52.7548 TIMING: 4409400 CPU: 12812.2, 0.00290659/step Wall: 12812.2, 0.00290659/step, 0.476843 hours remaining, 207.792969 MB of memory in use. ENERGY: 4409400 744.2413 2152.4710 1909.4365 114.4254 -206710.5166 18230.3931 0.0000 0.0000 34327.7459 -149231.8033 299.7927 -183559.5493 -149137.2146 300.0849 181.9968 217.2159 557875.9235 5.4261 5.4587 PRESSURE: 4409600 39.0254 178.699 -135.053 178.7 -261.008 -164.62 -135.053 -164.621 211.409 GPRESSURE: 4409600 42.094 157.635 -79.6115 168.594 -175.973 -161.614 -137.358 -158.246 212.103 PRESSAVG: 4409600 36.2353 15.4583 -4.79433 15.4583 -42.2033 -16.8117 -4.79439 -16.8117 -6.15098 GPRESSAVG: 4409600 36.4958 15.723 -2.773 15.5949 -40.9982 -16.0137 -4.76659 -17.3408 -6.99747 TIMING: 4409600 CPU: 12812.7, 0.0028656/step Wall: 12812.7, 0.0028656/step, 0.469958 hours remaining, 207.792969 MB of memory in use. ENERGY: 4409600 724.1913 2063.7599 1946.4203 108.7656 -206009.4787 17759.8964 0.0000 0.0000 34019.1721 -149387.2732 297.0979 -183406.4454 -149291.1522 298.9743 -3.5243 26.0745 557158.8625 -4.0397 -3.8333 PRESSURE: 4409800 -37.2878 -63.5318 30.5087 -63.5318 -352.736 23.5327 30.5084 23.533 -129.287 GPRESSURE: 4409800 27.7837 -45.9392 46.2566 -76.7232 -291.854 -62.8097 -27.9613 76.0467 -157.951 PRESSAVG: 4409800 36.2987 -24.2936 -27.3221 -24.2936 -18.1122 -40.9766 -27.3221 -40.9764 0.270375 GPRESSAVG: 4409800 36.6575 -23.729 -27.1127 -26.2561 -18.1741 -38.0965 -27.239 -43.2613 -0.193207 TIMING: 4409800 CPU: 12813.3, 0.00289053/step Wall: 12813.3, 0.00289053/step, 0.473886 hours remaining, 207.792969 MB of memory in use. ENERGY: 4409800 768.2574 2090.3653 1932.4714 114.5625 -205994.5555 17687.2399 0.0000 0.0000 34139.2059 -149262.4530 298.1462 -183401.6589 -149162.0276 298.4998 -173.1034 -140.6740 558607.1799 6.1523 6.0967 PRESSURE: 4410000 -168.692 159.844 155.097 159.845 -145.287 108.081 155.097 108.08 -49.8167 GPRESSURE: 4410000 -114.992 258.126 154.056 132.39 -105.771 197.373 201.098 34.5869 -56.6058 PRESSAVG: 4410000 65.859 -33.6712 29.4573 -33.6712 5.91624 -5.32722 29.4573 -5.32726 -11.03 GPRESSAVG: 4410000 67.132 -34.9382 30.5892 -31.5957 4.42246 -9.95556 28.2709 -3.25962 -10.848 TIMING: 4410000 CPU: 12813.9, 0.00288183/step Wall: 12813.9, 0.00288183/step, 0.472299 hours remaining, 207.792969 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: 4410000 696.9078 2116.0919 1974.4294 111.7016 -206224.4277 17718.0795 0.0000 0.0000 34358.9053 -149248.3122 300.0649 -183607.2175 -149149.7508 299.4849 -121.2652 -92.4562 557892.5907 20.2484 20.2355 PRESSURE: 4410200 -209.491 7.99778 -38.9564 7.99729 -442.992 138.413 -38.9569 138.411 -87.7976 GPRESSURE: 4410200 -187.187 -53.5439 -100.274 33.7896 -388.149 58.3819 -33.4793 150.766 -61.3355 PRESSAVG: 4410200 33.5039 -8.70899 16.8463 -8.709 -44.1929 -27.7218 16.8463 -27.7217 25.8172 GPRESSAVG: 4410200 32.0094 -6.94232 14.72 -10.0258 -43.7671 -25.184 18.396 -29.4612 27.2054 TIMING: 4410200 CPU: 12814.5, 0.00288598/step Wall: 12814.5, 0.00288598/step, 0.47282 hours remaining, 207.792969 MB of memory in use. ENERGY: 4410200 775.3643 2148.1457 1922.7084 118.7677 -205837.5587 17424.2295 0.0000 0.0000 34183.0672 -149265.2758 298.5292 -183448.3430 -149173.2131 298.9054 -246.7600 -212.2236 558861.8487 5.0427 5.1493 PRESSURE: 4410400 28.7546 -45.9201 -8.80628 -45.92 -60.3445 70.3837 -8.80766 70.3822 -5.45628 GPRESSURE: 4410400 9.93832 -36.1818 38.1304 -63.7597 -32.5997 19.9311 -130.524 124.885 75.0856 PRESSAVG: 4410400 17.1227 28.687 7.06207 28.687 42.8105 -23.7737 7.06208 -23.7737 -43.6584 GPRESSAVG: 4410400 17.3419 29.1925 8.59595 28.0604 43.9863 -23.4406 5.02041 -23.6249 -44.0975 TIMING: 4410400 CPU: 12815, 0.00289309/step Wall: 12815, 0.00289309/step, 0.473825 hours remaining, 207.792969 MB of memory in use. ENERGY: 4410400 766.6156 2079.1145 1956.8548 108.6850 -206209.3121 17793.8986 0.0000 0.0000 34400.7236 -149103.4200 300.4301 -183504.1436 -148999.9255 299.6995 -12.3487 17.4747 557523.9969 5.4249 5.7436 PRESSURE: 4410600 -189.748 72.6502 168.475 72.6493 -55.6904 -112.385 168.475 -112.385 -219.127 GPRESSURE: 4410600 -107.106 97.1012 150.427 85.868 -42.626 -153.1 82.1953 -158.012 -228.958 PRESSAVG: 4410600 11.7881 -19.6702 28.8675 -19.6702 62.5106 -15.867 28.8676 -15.867 -30.5585 GPRESSAVG: 4410600 11.4144 -21.4233 28.6365 -17.4937 60.9649 -15.7878 29.3655 -13.9859 -29.1087 TIMING: 4410600 CPU: 12815.6, 0.00289838/step Wall: 12815.6, 0.00289838/step, 0.474529 hours remaining, 207.792969 MB of memory in use. ENERGY: 4410600 758.0996 2142.9168 1929.2257 107.1766 -206053.4911 17679.6081 0.0000 0.0000 34433.2739 -149003.1904 300.7143 -183436.4643 -148908.6843 300.0328 -154.8551 -126.2301 558162.3068 14.5801 14.4236 PRESSURE: 4410800 -308.822 -36.3567 234.911 -36.3573 128.407 -78.2213 234.91 -78.2226 247.631 GPRESSURE: 4410800 -295.693 0.769183 247.06 -91.1587 142.233 19.9989 274.475 -87.8953 308.625 PRESSAVG: 4410800 21.7337 -28.3668 34.575 -28.3668 3.01651 23.1289 34.575 23.1289 9.94302 GPRESSAVG: 4410800 22.2091 -27.9544 33.7448 -29.5979 5.24453 22.0038 34.8969 22.439 7.52166 TIMING: 4410800 CPU: 12816.2, 0.00290781/step Wall: 12816.2, 0.00290781/step, 0.475911 hours remaining, 207.792969 MB of memory in use. ENERGY: 4410800 761.1764 2107.6375 1910.8091 117.4009 -206480.8179 18098.9790 0.0000 0.0000 34537.1339 -148947.6811 301.6214 -183484.8150 -148851.0770 300.4186 22.4056 51.7216 557848.9844 11.5644 11.6584 PRESSURE: 4411000 -173.546 30.7779 -164.32 30.7788 -249.872 95.4344 -164.322 95.4349 -105.063 GPRESSURE: 4411000 -171.456 20.2797 -92.2489 60.9812 -190.225 39.8818 -135.097 127.768 -56.5853 PRESSAVG: 4411000 19.8085 -24.3495 26.6064 -24.3496 -23.4399 22.7598 26.6063 22.7596 -12.9588 GPRESSAVG: 4411000 19.7577 -23.9156 26.5006 -23.7505 -25.6454 22.4282 28.0918 20.9673 -11.0675 TIMING: 4411000 CPU: 12816.8, 0.00288771/step Wall: 12816.8, 0.00288771/step, 0.472462 hours remaining, 207.792969 MB of memory in use. ENERGY: 4411000 726.0070 2106.8022 1942.0599 112.8533 -205935.0136 17667.2728 0.0000 0.0000 34379.2010 -149000.8173 300.2421 -183380.0183 -148904.3398 300.3661 -176.1600 -139.4220 558734.3756 -5.5301 -5.6517 PRESSURE: 4411200 -33.3028 54.4829 -36.6486 54.4826 188.333 -53.7766 -36.6493 -53.7786 -27.5305 GPRESSURE: 4411200 -8.76892 69.7106 81.5621 68.7346 212.886 -75.9211 -110.126 15.4225 17.0363 PRESSAVG: 4411200 52.3026 -28.8049 -37.9937 -28.8049 -62.7087 21.99 -37.9935 21.99 -3.64434 GPRESSAVG: 4411200 52.2209 -28.2572 -37.3396 -27.4734 -62.691 22.2913 -39.2543 23.1099 -3.76932 TIMING: 4411200 CPU: 12817.4, 0.00289097/step Wall: 12817.4, 0.00289097/step, 0.472834 hours remaining, 207.792969 MB of memory in use. ENERGY: 4411200 765.2531 2036.6299 1976.6497 111.6783 -206078.3705 17869.9570 0.0000 0.0000 34459.9399 -148858.2625 300.9472 -183318.2025 -148763.9495 300.2382 42.4998 73.7179 557347.7226 -4.6835 -4.7465 PRESSURE: 4411400 -91.4539 143.587 67.5334 143.588 9.84377 -89.9055 67.5358 -89.906 -137.895 GPRESSURE: 4411400 -56.8991 78.2323 93.7437 186.845 -26.0073 -64.1607 21.5803 22.1939 -36.0773 PRESSAVG: 4411400 31.3095 45.9177 -21.9311 45.9177 -36.3593 39.199 -21.931 39.199 4.88682 GPRESSAVG: 4411400 31.3143 43.0566 -21.2001 42.6443 -36.5671 37.9247 -23.0305 38.8829 4.68663 TIMING: 4411400 CPU: 12817.9, 0.00290831/step Wall: 12817.9, 0.00290831/step, 0.475509 hours remaining, 207.792969 MB of memory in use. ENERGY: 4411400 780.0930 2103.9784 1927.8019 114.8281 -205587.9922 17716.4254 0.0000 0.0000 34196.5669 -148748.2985 298.6471 -182944.8654 -148657.4782 300.7027 -73.1685 -39.6612 558164.2310 -0.0543 -0.1887 PRESSURE: 4411600 181.015 5.08514 3.56929 5.08485 76.3621 118.656 3.56887 118.658 422.747 GPRESSURE: 4411600 227.362 -18.4569 2.31006 -4.90684 75.6606 62.7277 43.4147 211.352 471.566 PRESSAVG: 4411600 -3.12874 24.9082 -35.1338 24.9083 2.96837 39.1871 -35.1339 39.1871 62.9012 GPRESSAVG: 4411600 -3.53202 26.0464 -35.1436 28.2514 4.36438 40.8558 -33.7109 39.2468 62.0474 TIMING: 4411600 CPU: 12818.5, 0.00290133/step Wall: 12818.5, 0.00290132/step, 0.474205 hours remaining, 207.792969 MB of memory in use. ENERGY: 4411600 718.2905 2154.0371 1936.2582 114.4723 -206423.6546 18172.7510 0.0000 0.0000 34399.4220 -148928.4235 300.4187 -183327.8455 -148835.5856 300.1790 226.7080 258.1960 556454.0479 20.9136 20.9599 PRESSURE: 4411800 38.5277 74.9663 73.841 74.9673 -82.1389 -13.274 73.8395 -13.275 -11.9859 GPRESSURE: 4411800 43.1778 58.7665 133.801 45.8438 -99.13 39.5911 88.8451 -37.3468 96.8583 PRESSAVG: 4411800 48.3439 29.5462 102.029 29.5463 -11.7901 53.7816 102.029 53.7816 -3.1103 GPRESSAVG: 4411800 49.185 29.3924 101.025 27.032 -13.3914 54.0287 101.522 53.426 -2.4077 TIMING: 4411800 CPU: 12819.1, 0.00290137/step Wall: 12819.1, 0.00290137/step, 0.474052 hours remaining, 207.792969 MB of memory in use. ENERGY: 4411800 767.3253 2066.5851 1981.9690 109.4385 -206067.4739 17878.1907 0.0000 0.0000 34316.1111 -148947.8542 299.6911 -183263.9653 -148851.2569 300.1187 -18.5323 13.6354 557792.9688 11.1478 11.1287 PRESSURE: 4412000 111.367 52.8421 37.1286 52.8428 149.438 70.3461 37.1275 70.3454 4.54386 GPRESSURE: 4412000 179.014 160.454 44.203 -65.722 156.728 169.972 25.6794 24.952 14.428 PRESSAVG: 4412000 17.1666 20.7216 58.1717 20.7216 -79.1599 22.0217 58.1717 22.0216 44.1286 GPRESSAVG: 4412000 18.2214 19.5578 57.7847 22.784 -79.2768 20.8156 58.1395 20.7094 43.3116 TIMING: 4412000 CPU: 12819.7, 0.00287391/step Wall: 12819.7, 0.00287391/step, 0.469405 hours remaining, 207.792969 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: 4412000 732.5926 2123.0711 1946.6812 111.9163 -206015.6619 17875.4935 0.0000 0.0000 34328.6348 -148897.2723 299.8005 -183225.9071 -148797.0442 299.9955 88.4495 116.7234 558626.8287 -5.9549 -5.9146 PRESSURE: 4412200 -174.57 -44.1773 39.4658 -44.1775 43.7853 114.695 39.4658 114.696 -240.321 GPRESSURE: 4412200 -124.73 -62.7143 29.0364 -13.3831 86.153 90.7915 27.7144 152.982 -236.156 PRESSAVG: 4412200 1.14688 -51.68 -8.61374 -51.68 -47.8628 10.3479 -8.61372 10.348 21.1693 GPRESSAVG: 4412200 -0.0721992 -50.0747 -8.41919 -53.2856 -48.0584 11.3923 -8.99769 12.8037 22.7953 TIMING: 4412200 CPU: 12820.3, 0.00291741/step Wall: 12820.3, 0.00291741/step, 0.476349 hours remaining, 207.792969 MB of memory in use. ENERGY: 4412200 752.3695 2083.0240 1935.9450 116.1384 -205572.2839 17575.4437 0.0000 0.0000 34074.8448 -149034.5184 297.5841 -183109.3632 -148935.4256 299.9106 -123.7017 -91.5776 559221.6200 -8.5155 -8.4451 LDB: ============= START OF LOAD BALANCING ============== 12823.7 LDB: ============== END OF LOAD BALANCING =============== 12823.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12823.7 LDB: ============= START OF LOAD BALANCING ============== 12824 LDB: Largest compute 4848 load 0.026362 is 22.4% of average load 0.117795 LDB: Average compute 0.001735 is 1.5% of average load 0.117795 LDB: TIME 12824 LOAD: AVG 0.117795 MAX 0.180923 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.371 MB LDB: TIME 12824 LOAD: AVG 0.117795 MAX 0.180923 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: TIME 12824 LOAD: AVG 0.117795 MAX 0.180923 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12824 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12824 PRESSURE: 4412400 -48.1061 10.8847 -65.8344 10.8845 -164.31 -37.6861 -65.8351 -37.6875 19.57 GPRESSURE: 4412400 -1.71217 12.4579 -50.8473 10.0146 -145.016 3.12213 -149.928 -38.9343 49.0995 PRESSAVG: 4412400 -4.46035 -46.9533 -26.3151 -46.9532 -83.264 6.87999 -26.3152 6.88005 71.0382 GPRESSAVG: 4412400 -5.04957 -46.2833 -27.2624 -46.8738 -82.2247 6.40928 -25.0547 3.70032 70.113 TIMING: 4412400 CPU: 12820.9, 0.00297309/step Wall: 12820.9, 0.00297309/step, 0.485274 hours remaining, 209.175781 MB of memory in use. ENERGY: 4412400 717.3714 2103.8713 1948.5431 110.8661 -205767.3861 17791.9257 0.0000 0.0000 34018.1825 -149076.6260 297.0892 -183094.8085 -148974.5403 299.3568 -64.2820 -32.5428 560628.0661 -5.5620 -5.7204 PRESSURE: 4412600 132.167 -95.2856 0.331448 -95.2856 33.1784 -61.6789 0.330717 -61.6768 -35.7552 GPRESSURE: 4412600 129.143 -58.2599 -15.9122 -82.1717 100.279 -176.447 5.29813 51.1592 -10.3165 PRESSAVG: 4412600 57.9892 -50.1025 28.3907 -50.1025 -39.6089 -25.4102 28.3908 -25.4102 -88.1691 GPRESSAVG: 4412600 59.1083 -50.1377 30.274 -50.1257 -39.655 -26.6887 29.4323 -23.3087 -88.7863 TIMING: 4412600 CPU: 12821.4, 0.00293053/step Wall: 12821.4, 0.00293053/step, 0.478165 hours remaining, 209.175781 MB of memory in use. ENERGY: 4412600 745.9592 2103.9001 1922.7520 109.8611 -206270.1503 17917.4352 0.0000 0.0000 34337.3188 -149132.9240 299.8763 -183470.2428 -149040.5283 299.9630 43.1967 73.0352 558256.8579 -23.2629 -23.1110 PRESSURE: 4412800 -305.563 87.174 -15.1514 87.1735 98.3332 130.294 -15.1519 130.295 -189.161 GPRESSURE: 4412800 -224.64 96.2172 -35.3901 95.2853 145.308 166.02 -58.6272 130.924 -208.96 PRESSAVG: 4412800 58.4116 13.2731 65.3 13.2731 -5.14146 -23.6997 65.3 -23.6997 -50.2342 GPRESSAVG: 4412800 59.5647 13.3627 65.9705 14.2104 -6.03913 -21.9139 62.2603 -25.4371 -50.3025 TIMING: 4412800 CPU: 12822, 0.00294164/step Wall: 12822, 0.00294164/step, 0.479815 hours remaining, 209.175781 MB of memory in use. ENERGY: 4412800 721.7061 2125.6071 1933.7956 118.5321 -205868.2880 17615.2998 0.0000 0.0000 34195.5259 -149157.8213 298.6380 -183353.3472 -149056.2762 299.5783 -132.1305 -96.0973 558918.9466 1.0120 1.0744 PRESSURE: 4413000 80.6832 164.063 101.417 164.064 -186.87 -110.255 101.416 -110.255 -241.861 GPRESSURE: 4413000 87.6876 125.983 21.4712 166.216 -118.032 -73.2364 130.526 -111.187 -211.838 PRESSAVG: 4413000 45.0333 48.2734 -26.9977 48.2734 29.2021 36.9171 -26.9977 36.9169 0.542023 GPRESSAVG: 4413000 41.8049 45.042 -26.9194 47.3987 31.3728 36.7895 -25.8722 37.0414 0.864714 TIMING: 4413000 CPU: 12822.6, 0.00292546/step Wall: 12822.6, 0.00292546/step, 0.477013 hours remaining, 209.175781 MB of memory in use. ENERGY: 4413000 739.0010 2069.7946 1935.9198 102.9386 -206054.2683 17792.0061 0.0000 0.0000 34103.8334 -149310.7748 297.8373 -183414.6082 -149213.9468 299.1836 -116.0158 -80.7275 558212.0899 24.9258 24.6808 PRESSURE: 4413200 -171.041 133.27 -85.5034 133.271 18.7578 -138.341 -85.5041 -138.342 -228.083 GPRESSURE: 4413200 -116.592 139.863 -6.62866 54.0999 10.7432 -205.817 -179.961 -137.946 -191.539 PRESSAVG: 4413200 -21.0782 -17.705 -17.1183 -17.705 28.4529 43.8419 -17.1183 43.842 -30.8798 GPRESSAVG: 4413200 -21.3944 -15.465 -16.691 -17.0887 27.3298 44.3291 -18.5192 43.5755 -29.6728 TIMING: 4413200 CPU: 12823.2, 0.00294239/step Wall: 12823.2, 0.00294239/step, 0.47961 hours remaining, 209.175781 MB of memory in use. ENERGY: 4413200 767.0905 2057.8943 1934.0649 116.4379 -206119.7163 17540.5986 0.0000 0.0000 34300.6766 -149402.9535 299.5563 -183703.6301 -149313.3366 298.9752 -126.7887 -99.1290 556414.2108 -7.8350 -7.9125 PRESSURE: 4413400 105.031 17.0769 -92.8312 17.0752 130.763 -37.7866 -92.8305 -37.7867 3.22953 GPRESSURE: 4413400 140.522 41.3056 -122.797 28.3801 137.136 -40.9799 -51.9686 11.8381 47.4012 PRESSAVG: 4413400 -13.8643 12.2391 -29.2701 12.2391 -12.2259 16.6492 -29.2701 16.649 39.9794 GPRESSAVG: 4413400 -12.398 13.5815 -33.368 12.0031 -11.7291 16.536 -26.979 17.9245 38.6938 TIMING: 4413400 CPU: 12823.8, 0.00291888/step Wall: 12823.8, 0.00291888/step, 0.475615 hours remaining, 209.175781 MB of memory in use. ENERGY: 4413400 713.3533 2070.6975 1953.9054 110.0218 -206166.5189 17765.3749 0.0000 0.0000 34349.4365 -149203.7293 299.9822 -183553.1658 -149116.2589 298.5535 79.6745 108.3534 556713.2432 4.6297 4.8556 PRESSURE: 4413600 -159.858 148.577 -2.08394 148.576 372.88 -4.11904 -2.08306 -4.1195 67.8613 GPRESSURE: 4413600 -75.851 170.281 86.8048 62.6206 407.174 17.0393 45.5006 69.5738 46.7705 PRESSAVG: 4413600 -8.91242 4.43211 -37.1406 4.43206 46.0632 21.3414 -37.1406 21.3414 -22.4937 GPRESSAVG: 4413600 -8.1219 3.84583 -33.1548 5.32599 45.8196 20.9056 -36.4625 22.0482 -22.2853 TIMING: 4413600 CPU: 12824.4, 0.00292241/step Wall: 12824.4, 0.00292241/step, 0.476029 hours remaining, 209.175781 MB of memory in use. ENERGY: 4413600 760.2396 2083.0877 1953.0960 101.6472 -206435.1128 18041.0011 0.0000 0.0000 34095.0762 -149400.9650 297.7608 -183496.0412 -149307.9089 298.8285 93.6276 126.0311 557046.4936 4.8857 5.1375 PRESSURE: 4413800 256.002 -175.484 -57.6027 -175.484 -34.3527 89.5386 -57.6037 89.5391 -91.1816 GPRESSURE: 4413800 289.978 -147.052 -94.7931 -168.684 9.993 97.6512 -18.4574 108.809 -81.3716 PRESSAVG: 4413800 30.963 -14.3304 -46.2119 -14.3305 25.9533 3.60257 -46.2119 3.60257 -3.33871 GPRESSAVG: 4413800 30.2546 -13.5945 -47.0724 -15.8941 26.3966 3.34993 -48.0875 3.57539 -2.93384 TIMING: 4413800 CPU: 12825, 0.00292588/step Wall: 12825, 0.00292588/step, 0.47643 hours remaining, 209.175781 MB of memory in use. ENERGY: 4413800 743.7671 2071.6340 1939.6327 108.4593 -206372.4867 17942.8825 0.0000 0.0000 34280.4239 -149285.6873 299.3795 -183566.1111 -149190.4290 298.7463 43.4893 72.8664 557575.3544 17.8592 17.9058 PRESSURE: 4414000 -88.3235 10.9922 -20.926 10.9918 -396.342 -83.2535 -20.9264 -83.2548 94.898 GPRESSURE: 4414000 -4.49536 -38.0902 -30.0475 -20.3133 -446.476 -47.481 -49.3174 -133.818 144.699 PRESSAVG: 4414000 42.3066 28.2461 -44.3101 28.2461 -47.0908 8.31892 -44.3102 8.31901 -9.38999 GPRESSAVG: 4414000 42.9944 29.3735 -43.1121 27.968 -47.8633 10.229 -44.6467 7.59516 -9.05505 TIMING: 4414000 CPU: 12825.5, 0.00292418/step Wall: 12825.5, 0.00292418/step, 0.475992 hours remaining, 209.175781 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: 4414000 730.1927 2077.9646 1958.2308 107.0228 -205992.7162 17672.5038 0.0000 0.0000 34160.1797 -149286.6218 298.3293 -183446.8015 -149187.3209 299.5738 -129.9224 -102.0906 559397.9533 -4.7247 -4.6413 PRESSURE: 4414200 -234.977 -47.6872 -54.4083 -47.6877 74.1688 -222.746 -54.4079 -222.746 -129.362 GPRESSURE: 4414200 -181.846 -0.415054 -55.7754 -46.1923 125.698 -159.079 3.0137 -216.043 -133.787 PRESSAVG: 4414200 3.74466 0.128305 -17.7297 0.128307 10.8837 -11.5373 -17.7296 -11.5374 13.2973 GPRESSAVG: 4414200 4.01437 -1.33525 -19.2455 1.45563 11.2084 -12.4547 -17.2293 -12.3565 13.4944 TIMING: 4414200 CPU: 12826.1, 0.0029099/step Wall: 12826.1, 0.0029099/step, 0.473506 hours remaining, 209.175781 MB of memory in use. ENERGY: 4414200 724.6227 2144.8328 1956.7266 104.6689 -205738.1475 17593.0311 0.0000 0.0000 34084.9777 -149129.2876 297.6726 -183214.2654 -149039.2798 299.2512 -96.7233 -63.3119 558839.3560 9.3085 9.5724 PRESSURE: 4414400 100.364 46.1999 52.6968 46.1995 49.1078 98.1566 52.6977 98.1566 33.7931 GPRESSURE: 4414400 169.606 -12.0425 44.2182 69.0697 75.0296 116.806 4.39305 140.675 32.2672 PRESSAVG: 4414400 46.1707 0.148107 16.8035 0.148143 -13.1073 -23.5565 16.8035 -23.5565 -11.0275 GPRESSAVG: 4414400 47.6686 0.261218 17.6724 -1.09637 -14.8107 -24.9732 16.667 -22.1348 -10.7514 TIMING: 4414400 CPU: 12826.7, 0.00288745/step Wall: 12826.7, 0.00288745/step, 0.469692 hours remaining, 209.175781 MB of memory in use. ENERGY: 4414400 723.7728 2080.8700 1940.0617 106.9481 -206461.8342 17955.7555 0.0000 0.0000 34461.0638 -149193.3624 300.9570 -183654.4262 -149093.9122 299.3486 61.0884 92.3010 558133.6274 7.3453 7.3688 PRESSURE: 4414600 -138.508 49.3541 4.42839 49.3532 -19.003 -71.5897 4.42864 -71.5898 88.4936 GPRESSURE: 4414600 -107.193 66.4114 -30.4213 70.2866 -18.9502 -32.3856 0.487785 1.25891 149.544 PRESSAVG: 4414600 -4.99802 63.3093 -26.9643 63.3093 -22.1686 48.6687 -26.9642 48.6687 29.158 GPRESSAVG: 4414600 -5.19548 63.2383 -27.1458 64.7285 -21.755 49.9593 -28.5193 48.4234 28.8732 TIMING: 4414600 CPU: 12827.3, 0.0028835/step Wall: 12827.3, 0.0028835/step, 0.468888 hours remaining, 209.175781 MB of memory in use. ENERGY: 4414600 730.1591 2091.0064 1932.0583 96.5061 -205910.6600 17733.6837 0.0000 0.0000 34439.9297 -148887.3166 300.7725 -183327.2463 -148795.3508 299.4849 -23.0059 7.8002 558140.8032 0.6638 0.6409 PRESSURE: 4414800 -105.12 2.73102 125.478 2.73179 -241.241 94.3949 125.477 94.395 2.78919 GPRESSURE: 4414800 -43.0117 -42.3706 152.304 52.406 -206.068 73.5006 174.017 123.722 -9.91024 PRESSAVG: 4414800 24.2389 19.0237 1.63715 19.0237 26.3531 -17.996 1.63715 -17.9959 -54.1133 GPRESSAVG: 4414800 23.8045 19.2579 0.970067 17.9643 26.9452 -19.0758 5.18718 -17.416 -53.7674 TIMING: 4414800 CPU: 12827.9, 0.00288866/step Wall: 12827.9, 0.00288866/step, 0.469568 hours remaining, 209.175781 MB of memory in use. ENERGY: 4414800 749.6158 2105.3874 1942.0947 108.1373 -206039.0928 17720.2003 0.0000 0.0000 34344.7704 -149068.8868 299.9414 -183413.6572 -148969.0385 299.9795 -114.5239 -86.3299 557572.8566 -1.1738 -1.0059 PRESSURE: 4415000 -39.7484 -59.2465 81.5335 -59.2469 -124.407 110.07 81.5339 110.071 -112.706 GPRESSURE: 4415000 -64.6568 -73.3063 74.6222 14.1952 -63.9921 106.816 127.106 46.8937 -50.3074 PRESSAVG: 4415000 -20.1134 -15.9321 34.0193 -15.9321 -8.9355 6.77832 34.0193 6.77837 44.6249 GPRESSAVG: 4415000 -20.1164 -17.0968 33.6172 -13.302 -8.52128 7.44306 31.8163 4.4083 44.1631 TIMING: 4415000 CPU: 12828.4, 0.00288934/step Wall: 12828.4, 0.00288934/step, 0.469518 hours remaining, 209.175781 MB of memory in use. ENERGY: 4415000 745.2339 2111.8633 1956.3877 110.6077 -206069.8630 17617.7267 0.0000 0.0000 34297.4715 -149230.5722 299.5283 -183528.0438 -149128.2523 299.5986 -92.2872 -59.6521 557649.9913 5.1920 5.1751 PRESSURE: 4415200 -125.734 29.1992 128.254 29.1992 -89.5466 86.9557 128.254 86.9566 47.2415 GPRESSURE: 4415200 -112.765 -136.415 137.405 138.216 -81.933 35.2415 139.013 73.6131 114.062 PRESSAVG: 4415200 42.535 63.7952 22.3279 63.7951 -46.3504 13.5213 22.3279 13.5213 17.6231 GPRESSAVG: 4415200 42.115 62.3239 24.976 61.8551 -46.2887 12.3623 21.0946 14.7118 18.1898 TIMING: 4415200 CPU: 12829, 0.00289634/step Wall: 12829, 0.00289634/step, 0.470494 hours remaining, 209.175781 MB of memory in use. ENERGY: 4415200 758.2205 2085.9515 1939.5819 105.9409 -206294.2574 17894.8756 0.0000 0.0000 34298.8038 -149210.8832 299.5400 -183509.6870 -149114.3186 299.4055 -56.0130 -26.8787 558222.1896 4.6026 4.6720 PRESSURE: 4415400 165.275 11.8991 128.24 11.8988 64.6683 68.1332 128.239 68.1334 -108.77 GPRESSURE: 4415400 143.59 29.1582 34.5229 54.0922 108.88 86.9363 238.209 15.4453 -47.8659 PRESSAVG: 4415400 -2.10133 -24.9697 22.2987 -24.9696 -15.0495 -18.8926 22.2987 -18.8927 -22.3459 GPRESSAVG: 4415400 -1.45185 -22.4914 20.6746 -25.4191 -14.4753 -17.5625 23.542 -19.9159 -23.2101 TIMING: 4415400 CPU: 12829.6, 0.00288583/step Wall: 12829.6, 0.00288583/step, 0.468626 hours remaining, 209.175781 MB of memory in use. ENERGY: 4415400 754.9272 2109.7151 1945.3151 105.9621 -206164.9205 17700.8755 0.0000 0.0000 34445.7021 -149102.4235 300.8229 -183548.1255 -148996.8633 299.7227 40.3912 68.2012 558540.5639 -13.1656 -13.0458 PRESSURE: 4415600 -97.9014 -34.2132 151.41 -34.2116 243.202 73.5038 151.412 73.5039 -29.0252 GPRESSURE: 4415600 -23.9259 -91.0556 215.454 50.0054 259.182 58.6442 190.657 87.8778 -24.9229 PRESSAVG: 4415600 -11.9735 28.2478 44.0428 28.2479 -9.42934 -12.6466 44.0427 -12.6465 13.9618 GPRESSAVG: 4415600 -11.6102 28.2372 44.3353 27.3407 -11.5997 -11.6239 44.9599 -13.913 15.3793 TIMING: 4415600 CPU: 12830.2, 0.00290098/step Wall: 12830.2, 0.00290098/step, 0.470926 hours remaining, 209.175781 MB of memory in use. ENERGY: 4415600 733.7632 2033.6986 1961.1584 106.4221 -206218.0321 17993.7061 0.0000 0.0000 34224.8893 -149164.3944 298.8945 -183389.2837 -149066.2757 299.5084 38.7584 70.1110 559259.8803 -2.4803 -2.6102 PRESSURE: 4415800 -159.445 -58.8922 -1.49574 -58.893 -67.4178 -76.2416 -1.49641 -76.2403 -15.2459 GPRESSURE: 4415800 -120.583 -6.91018 -33.9292 -58.394 -51.9548 -114.167 49.4412 33.3346 29.5547 PRESSAVG: 4415800 -7.71246 -6.54168 7.11285 -6.54174 -41.1813 0.850009 7.11287 0.85017 41.8318 GPRESSAVG: 4415800 -9.22912 -9.45186 5.54319 -3.61405 -39.6843 -1.4941 7.19652 2.49281 42.5517 TIMING: 4415800 CPU: 12830.8, 0.00289182/step Wall: 12830.8, 0.00289182/step, 0.469277 hours remaining, 209.175781 MB of memory in use. ENERGY: 4415800 757.9229 2092.9575 1943.0200 110.7195 -206321.1386 17883.1663 0.0000 0.0000 34361.8202 -149171.5321 300.0903 -183533.3523 -149075.1709 299.2418 -80.7029 -47.6612 558862.0594 -2.3540 -2.1206 PRESSURE: 4416000 154.492 -209.978 -82.156 -209.978 -45.3189 120.95 -82.1569 120.951 -172.571 GPRESSURE: 4416000 208.105 -212.25 -119.061 -121.219 -31.9895 127.616 -98.604 151.935 -153.75 PRESSAVG: 4416000 20.9715 -16.8488 -40.996 -16.8488 -52.3185 18.7001 -40.9961 18.7002 34.9004 GPRESSAVG: 4416000 22.6333 -17.2881 -38.9807 -17.4247 -53.1522 20.969 -44.5937 17.0365 33.9133 TIMING: 4416000 CPU: 12831.3, 0.00290709/step Wall: 12831.3, 0.00290709/step, 0.471594 hours remaining, 209.175781 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: 4416000 720.3897 2116.3031 1961.5860 110.8072 -206347.2067 17733.0403 0.0000 0.0000 34509.3443 -149195.7361 301.3787 -183705.0804 -149087.5279 299.6175 -21.1328 7.4550 556939.3842 1.1845 1.1315 PRESSURE: 4416200 -75.0044 -35.6573 -49.4162 -35.6561 17.7132 61.3402 -49.4152 61.3387 -114.677 GPRESSURE: 4416200 -69.1603 -16.5587 -98.9356 -6.11071 35.3975 50.2098 32.8298 206.511 -38.3917 PRESSAVG: 4416200 21.1042 -3.01887 -3.83923 -3.01882 33.3955 -18.1255 -3.8393 -18.1256 -36.5915 GPRESSAVG: 4416200 21.1252 -0.86677 -5.78237 -4.11368 34.1366 -18.8448 0.249183 -17.7835 -36.8922 TIMING: 4416200 CPU: 12831.9, 0.00289508/step Wall: 12831.9, 0.00289508/step, 0.469485 hours remaining, 209.175781 MB of memory in use. ENERGY: 4416200 736.9885 2140.3382 1946.7904 109.8623 -206185.3109 17738.1425 0.0000 0.0000 34357.6496 -149155.5394 300.0539 -183513.1891 -149067.4245 299.3638 -57.3226 -24.0515 556981.6324 5.9694 6.1232 LDB: ============= START OF LOAD BALANCING ============== 12835.4 LDB: ============== END OF LOAD BALANCING =============== 12835.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12835.4 LDB: ============= START OF LOAD BALANCING ============== 12835.7 LDB: Largest compute 4848 load 0.029279 is 24.9% of average load 0.117734 LDB: Average compute 0.001739 is 1.5% of average load 0.117734 LDB: TIME 12835.7 LOAD: AVG 0.117734 MAX 0.180694 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 12835.7 LOAD: AVG 0.117734 MAX 0.180694 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 12835.7 LOAD: AVG 0.117734 MAX 0.180694 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12835.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12835.7 PRESSURE: 4416400 168.311 -102.952 20.8074 -102.951 112.123 35.5305 20.808 35.5299 33.217 GPRESSURE: 4416400 203.068 -75.3295 48.7954 -149.765 217.178 115.634 -19.1185 30.869 -3.09118 PRESSAVG: 4416400 21.1222 -6.52912 -23.9757 -6.52913 40.501 4.41192 -23.9757 4.41189 -20.6388 GPRESSAVG: 4416400 20.4725 -7.48644 -21.9481 -5.04372 40.8862 3.82223 -25.3476 3.72491 -20.6197 TIMING: 4416400 CPU: 12832.5, 0.00294599/step Wall: 12832.5, 0.00294599/step, 0.477578 hours remaining, 207.250000 MB of memory in use. ENERGY: 4416400 753.0952 2038.8243 1963.6105 108.0394 -206578.4226 17978.9231 0.0000 0.0000 34460.7230 -149275.2070 300.9541 -183735.9301 -149174.5982 299.6336 104.5504 139.0517 556780.2641 13.6615 13.5796 PRESSURE: 4416600 44.0164 33.9971 -12.9102 33.9968 -85.5125 -181.141 -12.9108 -181.139 -285.52 GPRESSURE: 4416600 -4.43647 71.9873 2.77635 -33.6704 -11.745 -191.134 64.2627 -154.59 -219.764 PRESSAVG: 4416600 40.933 -39.7602 -32.0562 -39.7602 -39.5244 -34.0966 -32.0562 -34.0966 -2.19371 GPRESSAVG: 4416600 41.8404 -40.7843 -34.0364 -40.8562 -38.5528 -35.4974 -32.5227 -32.1084 -3.52931 TIMING: 4416600 CPU: 12833.1, 0.00289268/step Wall: 12833.1, 0.00289268/step, 0.468774 hours remaining, 207.492188 MB of memory in use. ENERGY: 4416600 751.6398 2060.7074 1944.1327 103.2990 -205915.9863 17587.1315 0.0000 0.0000 34189.1682 -149279.9078 298.5825 -183469.0760 -149195.0714 299.0075 -109.0055 -78.6485 556341.0205 -0.2617 -0.0806 PRESSURE: 4416800 -152.644 6.12352 34.8184 6.12325 -135.38 -132.376 34.8163 -132.375 -239.944 GPRESSURE: 4416800 -98.0764 38.3218 17.1356 34.2516 -81.6816 -99.0738 -76.6924 -74.8421 -265.152 PRESSAVG: 4416800 78.1412 -2.56725 0.228474 -2.56738 -25.4674 -26.7656 0.228414 -26.7656 -39.1363 GPRESSAVG: 4416800 77.9207 1.31059 2.12269 -6.12363 -26.2416 -24.1682 0.0950434 -27.9652 -38.5248 TIMING: 4416800 CPU: 12833.7, 0.00289033/step Wall: 12833.7, 0.00289033/step, 0.468234 hours remaining, 207.492188 MB of memory in use. ENERGY: 4416800 739.2732 2071.5219 1949.1863 114.2257 -206138.8943 17520.7267 0.0000 0.0000 34178.0448 -149565.9157 298.4854 -183743.9604 -149467.7499 298.3915 -175.9893 -148.3033 556862.9525 4.5125 4.3848 PRESSURE: 4417000 51.9378 129.172 -14.0186 129.172 58.5193 18.5617 -14.0186 18.5617 21.1106 GPRESSURE: 4417000 87.517 162.035 63.9639 58.7026 78.2963 26.9548 -94.5652 -9.63289 80.0441 PRESSAVG: 4417000 27.4098 3.02032 -102.82 3.02032 -21.6591 -17.0895 -102.82 -17.0896 -3.8005 GPRESSAVG: 4417000 27.0062 2.18804 -102.379 6.09123 -21.3193 -17.1382 -102.741 -17.7478 -3.47582 TIMING: 4417000 CPU: 12834.2, 0.00289879/step Wall: 12834.2, 0.00289879/step, 0.469442 hours remaining, 207.492188 MB of memory in use. ENERGY: 4417000 733.3645 2139.7559 1929.5161 120.6216 -206433.7441 17840.2290 0.0000 0.0000 34341.3536 -149328.9034 299.9116 -183670.2570 -149230.3507 299.0006 43.8559 81.9525 554960.5660 0.6501 0.7370 PRESSURE: 4417200 -242.989 120.805 81.8202 120.805 -204.834 -125.008 81.82 -125.008 -168.276 GPRESSURE: 4417200 -195.52 173.854 79.3271 83.8008 -161.822 -44.9427 126.067 -190.187 -158.842 PRESSAVG: 4417200 42.0972 39.4206 39.5001 39.4205 -43.7534 29.1502 39.5001 29.1503 28.0081 GPRESSAVG: 4417200 42.1997 38.8143 41.4354 38.318 -43.0079 29.32 37.4952 29.1809 27.4323 TIMING: 4417200 CPU: 12834.8, 0.00288928/step Wall: 12834.8, 0.00288928/step, 0.467743 hours remaining, 207.492188 MB of memory in use. ENERGY: 4417200 756.8592 2075.8820 1961.3723 109.2244 -205891.5187 17410.0250 0.0000 0.0000 34063.7499 -149514.4060 297.4872 -183578.1558 -149418.2338 298.4701 -205.3666 -172.0613 556105.1219 8.7839 8.8747 PRESSURE: 4417400 69.7125 -11.2255 -218.689 -11.2258 -206.857 98.1393 -218.69 98.1381 8.37604 GPRESSURE: 4417400 63.0013 -81.1232 -216.441 62.8878 -115.799 -28.9713 -68.1837 138.079 10.5498 PRESSAVG: 4417400 40.3009 -21.0448 21.7993 -21.0449 -66.3717 7.42933 21.7992 7.42932 3.49463 GPRESSAVG: 4417400 39.9929 -20.2905 19.5755 -21.3812 -66.9864 5.06316 23.5643 8.91544 4.20587 TIMING: 4417400 CPU: 12835.4, 0.00289999/step Wall: 12835.4, 0.00289999/step, 0.469314 hours remaining, 207.492188 MB of memory in use. ENERGY: 4417400 748.0361 2080.8068 1946.7412 113.9775 -206224.7812 17836.5187 0.0000 0.0000 34000.9703 -149497.7306 296.9389 -183498.7009 -149403.7185 298.4802 -42.9228 -14.0828 556435.2598 -7.5254 -7.5959 PRESSURE: 4417600 97.6139 75.8526 -93.9701 75.8521 114.538 13.5051 -93.9715 13.5056 -43.5485 GPRESSURE: 4417600 77.117 115.941 -124.185 102.064 163.114 52.5038 -90.2321 -11.8123 11.1012 PRESSAVG: 4417600 10.1467 16.7048 7.09185 16.7048 -24.0128 51.3871 7.09185 51.3871 44.7657 GPRESSAVG: 4417600 9.33763 15.1683 8.0273 18.4159 -23.3592 51.663 6.4686 52.132 45.0659 TIMING: 4417600 CPU: 12836, 0.00290062/step Wall: 12836, 0.00290062/step, 0.469256 hours remaining, 207.492188 MB of memory in use. ENERGY: 4417600 762.9754 2010.7832 1937.7925 109.6846 -206652.1058 18090.2944 0.0000 0.0000 34312.1528 -149428.4230 299.6566 -183740.5758 -149339.9537 298.0558 56.2010 83.7774 557509.0374 10.2998 10.3481 PRESSURE: 4417800 -186.662 -40.8202 -11.1018 -40.8192 -35.1826 11.5581 -11.1016 11.558 -192.118 GPRESSURE: 4417800 -217.821 31.532 -14.3925 -18.8116 17.6982 81.6301 43.5593 76.8741 -130.089 PRESSAVG: 4417800 -8.63658 16.545 -21.3733 16.5449 4.04008 12.3858 -21.3733 12.3858 2.7777 GPRESSAVG: 4417800 -6.96539 16.664 -22.2069 13.9744 2.41609 14.3974 -21.6087 10.5068 1.91999 TIMING: 4417800 CPU: 12836.6, 0.00293257/step Wall: 12836.6, 0.00293257/step, 0.474261 hours remaining, 207.492188 MB of memory in use. ENERGY: 4417800 752.7967 2074.8758 1974.6422 111.4401 -206275.7175 17659.9810 0.0000 0.0000 34396.7990 -149305.1827 300.3958 -183701.9817 -149205.7514 299.2678 -137.9876 -110.0708 558046.0433 -0.6063 -0.8764 PRESSURE: 4418000 58.4889 5.43264 48.5549 5.43208 -230.889 -39.2652 48.5537 -39.263 -137.242 GPRESSURE: 4418000 42.7162 34.8246 86.9044 -6.42759 -134.324 -6.34225 69.9233 1.64685 -108.012 PRESSAVG: 4418000 14.3801 -45.1357 -29.312 -45.1356 19.881 9.85347 -29.312 9.85346 -16.6711 GPRESSAVG: 4418000 14.0496 -47.0749 -30.2012 -41.895 20.2178 7.67627 -28.4257 9.70956 -16.4458 TIMING: 4418000 CPU: 12837.1, 0.00290256/step Wall: 12837.1, 0.00290256/step, 0.469247 hours remaining, 207.492188 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: 4418000 740.7076 2058.3232 1957.7783 117.0931 -205986.6611 17702.8437 0.0000 0.0000 34018.4568 -149391.4584 297.0916 -183409.9152 -149298.5029 298.9337 -103.2142 -66.5401 557923.5279 5.8633 5.9405 PRESSURE: 4418200 129.21 -113.069 31.8384 -113.069 -201.499 142.569 31.8373 142.568 -142.322 GPRESSURE: 4418200 174.242 -163.402 15.9252 -133.682 -185.336 45.6904 33.0095 216.724 -121.945 PRESSAVG: 4418200 54.5836 -13.5296 61.3584 -13.5296 -47.3083 79.1756 61.3585 79.1755 -31.4257 GPRESSAVG: 4418200 53.4998 -9.99292 60.9318 -14.7562 -45.7882 80.7862 62.7853 80.3072 -31.9599 TIMING: 4418200 CPU: 12837.7, 0.0029118/step Wall: 12837.7, 0.0029118/step, 0.47058 hours remaining, 207.492188 MB of memory in use. ENERGY: 4418200 712.4391 2057.7577 1954.3775 115.0753 -206139.5328 17738.3539 0.0000 0.0000 34148.2556 -149413.2736 298.2252 -183561.5293 -149314.1823 299.1802 -71.5371 -44.3465 557013.3382 -8.0501 -8.0827 PRESSURE: 4418400 32.9698 -60.0866 -56.0035 -60.0865 -103.37 94.3061 -56.0039 94.3057 -193.29 GPRESSURE: 4418400 88.5805 -100.69 71.4986 -1.04741 -104.321 105.309 -95.409 17.3312 -129.444 PRESSAVG: 4418400 10.3664 41.2239 -14.5293 41.2239 15.1969 4.318 -14.5293 4.31794 -4.35239 GPRESSAVG: 4418400 10.1528 40.774 -13.7237 39.9277 14.3308 2.61881 -15.4358 2.49996 -3.27636 TIMING: 4418400 CPU: 12838.3, 0.00291627/step Wall: 12838.3, 0.00291627/step, 0.471139 hours remaining, 207.492188 MB of memory in use. ENERGY: 4418400 748.2679 2136.3647 1976.6508 115.1535 -206225.9258 17720.9286 0.0000 0.0000 34224.9728 -149303.5876 298.8952 -183528.5603 -149208.4477 298.4272 -87.8969 -48.3947 556692.6223 7.0703 7.0691 PRESSURE: 4418600 187.311 25.2286 -26.8771 25.2288 131.186 151.767 -26.8776 151.768 -16.3043 GPRESSURE: 4418600 250.011 21.4934 -18.269 19.4298 90.2544 153.599 -0.316888 152.875 55.1973 PRESSAVG: 4418600 20.4235 -14.8108 9.58655 -14.8108 42.3838 44.1842 9.5867 44.1843 -65.3979 GPRESSAVG: 4418600 19.2775 -16.4241 12.8833 -14.0063 43.992 44.3652 7.58425 44.826 -66.4381 TIMING: 4418600 CPU: 12838.9, 0.00289314/step Wall: 12838.9, 0.00289314/step, 0.467242 hours remaining, 207.492188 MB of memory in use. ENERGY: 4418600 730.8401 2055.2932 1968.7071 122.1752 -206399.9568 17946.7770 0.0000 0.0000 34192.0620 -149384.1023 298.6078 -183576.1642 -149287.9212 298.3858 100.7307 131.8210 557062.3108 -0.8636 -1.0562 PRESSURE: 4418800 136.617 101.486 -59.0877 101.487 -289.08 17.9413 -59.0881 17.9414 -30.4083 GPRESSURE: 4418800 141.353 31.4735 -136.365 141.438 -221.416 87.8036 -53.6154 -18.9179 -7.3396 PRESSAVG: 4418800 3.91554 77.2757 -15.3649 77.2757 -35.4877 34.8539 -15.3649 34.854 -0.72791 GPRESSAVG: 4418800 4.60763 78.0215 -18.8964 78.2554 -36.552 37.1355 -12.7809 35.2233 -0.350163 TIMING: 4418800 CPU: 12839.5, 0.00294391/step Wall: 12839.5, 0.00294391/step, 0.475278 hours remaining, 207.492188 MB of memory in use. ENERGY: 4418800 783.7172 2084.0739 1967.4569 128.9556 -206299.4318 17860.7018 0.0000 0.0000 34191.6958 -149282.8306 298.6046 -183474.5264 -149187.7508 299.3632 -60.9570 -29.1340 556742.9039 -10.7667 -10.7649 PRESSURE: 4419000 -75.484 -102.854 80.9223 -102.854 -24.4246 39.1519 80.9217 39.1526 -80.1391 GPRESSURE: 4419000 15.418 -47.6928 -6.98447 -71.318 -21.6487 39.9102 60.5013 41.9197 -73.2499 PRESSAVG: 4419000 -27.2632 54.8175 12.8945 54.8174 -64.6792 -21.6826 12.8946 -21.6826 42.504 GPRESSAVG: 4419000 -26.4265 54.5014 13.2443 53.872 -64.5347 -24.1575 10.4601 -19.6609 41.3804 TIMING: 4419000 CPU: 12840.1, 0.00290868/step Wall: 12840.1, 0.00290868/step, 0.469429 hours remaining, 207.492188 MB of memory in use. ENERGY: 4419000 782.0063 2153.2210 1977.2111 113.5723 -206225.6825 17644.8145 0.0000 0.0000 34244.4642 -149310.3931 299.0654 -183554.8573 -149220.9589 299.0950 -60.0159 -26.4935 557506.4811 -16.4795 -16.5269 PRESSURE: 4419200 -2.41138 -220.721 -15.1475 -220.721 61.1379 4.49476 -15.1472 4.49498 -154.93 GPRESSURE: 4419200 12.2537 -186.614 10.7405 -218.03 70.8566 59.9639 -50.9225 -11.5667 -79.6469 PRESSAVG: 4419200 -7.81014 -13.1809 6.95928 -13.1809 38.9716 -41.8265 6.95926 -41.8265 -4.76305 GPRESSAVG: 4419200 -8.47728 -12.0632 6.41561 -11.9014 39.2713 -40.8294 7.67403 -43.9407 -4.43423 TIMING: 4419200 CPU: 12840.6, 0.00290874/step Wall: 12840.6, 0.00290874/step, 0.469277 hours remaining, 207.492188 MB of memory in use. ENERGY: 4419200 711.7901 2051.0926 1955.6743 113.2154 -206057.9592 17750.6068 0.0000 0.0000 34157.6326 -149317.9475 298.3071 -183475.5800 -149214.7599 299.1040 -32.0678 1.1545 558387.2376 8.7995 8.7866 PRESSURE: 4419400 -255.711 21.1347 57.3824 21.134 162.148 85.35 57.3818 85.3486 -85.3785 GPRESSURE: 4419400 -215.503 9.45891 215.37 -14.3665 157.59 101.964 -1.25133 114.21 -23.7455 PRESSAVG: 4419400 -36.7592 4.3071 -53.514 4.30713 22.4188 -3.16585 -53.514 -3.16587 59.2196 GPRESSAVG: 4419400 -36.6461 4.29704 -53.677 3.67967 22.7073 -3.1527 -52.8386 -2.58524 58.6457 TIMING: 4419400 CPU: 12841.2, 0.00292219/step Wall: 12841.2, 0.00292219/step, 0.471284 hours remaining, 207.492188 MB of memory in use. ENERGY: 4419400 735.1030 2073.7818 1970.7664 110.0129 -206358.9611 17981.3418 0.0000 0.0000 34061.3360 -149426.6192 297.4661 -183487.9552 -149336.2193 298.5374 -59.6473 -27.2195 558030.6081 14.9597 14.9023 PRESSURE: 4419600 95.2835 -0.305937 60.148 -0.305928 148.855 -83.5409 60.1487 -83.5401 12.8279 GPRESSURE: 4419600 109.764 53.0741 80.8526 6.85447 153.574 -128.009 126.555 -75.3189 91.9475 PRESSAVG: 4419600 -28.0538 -89.4523 56.3034 -89.4523 -26.4712 -37.8944 56.3034 -37.8945 38.5447 GPRESSAVG: 4419600 -27.036 -91.1527 57.0229 -88.2661 -27.2305 -38.3566 54.4517 -37.8042 38.1798 TIMING: 4419600 CPU: 12841.8, 0.00291156/step Wall: 12841.8, 0.00291156/step, 0.469408 hours remaining, 207.492188 MB of memory in use. ENERGY: 4419600 716.8568 2119.5926 1967.1235 107.0798 -206355.3196 17820.3797 0.0000 0.0000 34223.0346 -149401.2525 298.8783 -183624.2872 -149300.6064 298.6732 85.6553 118.4283 556825.6164 -5.3268 -5.3622 PRESSURE: 4419800 -394.403 -28.7483 -29.0004 -28.7477 -89.6751 -122.713 -28.9996 -122.714 37.0542 GPRESSURE: 4419800 -314.404 -83.9153 18.6107 -47.5276 -44.6161 -194.773 -73.5286 -119.733 5.12347 PRESSAVG: 4419800 -24.9736 -40.0491 -17.5065 -40.0492 18.881 -70.3419 -17.5066 -70.3418 11.3741 GPRESSAVG: 4419800 -25.6591 -38.6384 -18.071 -39.8983 18.5554 -72.0071 -16.25 -70.0845 12.6285 TIMING: 4419800 CPU: 12842.4, 0.0029002/step Wall: 12842.4, 0.0029002/step, 0.467415 hours remaining, 207.492188 MB of memory in use. ENERGY: 4419800 739.3384 2046.2355 1933.9578 115.3544 -206022.8058 17635.2811 0.0000 0.0000 34147.0797 -149405.5590 298.2149 -183552.6387 -149314.2024 298.7785 -149.0080 -117.9654 559322.6260 1.7605 1.8416 PRESSURE: 4420000 34.5544 23.3659 32.2878 23.3654 143.556 -21.3554 32.2866 -21.3566 -83.6935 GPRESSURE: 4420000 48.436 66.1822 48.6803 -67.0439 109.963 -11.5102 77.3902 16.6916 29.0103 PRESSAVG: 4420000 81.7286 7.0188 -29.4313 7.01885 -32.7345 11.8092 -29.4314 11.8091 -9.52763 GPRESSAVG: 4420000 82.6445 7.33258 -29.6469 6.18584 -32.0697 14.6906 -30.0952 11.2634 -10.842 TIMING: 4420000 CPU: 12843, 0.00290952/step Wall: 12843, 0.00290952/step, 0.468757 hours remaining, 207.492188 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: 4420000 746.1060 2058.5721 1968.3582 112.6620 -206444.3124 17977.7226 0.0000 0.0000 34340.8147 -149240.0769 299.9069 -183580.8916 -149146.1127 298.5318 31.4724 62.4697 558426.2137 13.1555 13.2443 PRESSURE: 4420200 94.6293 39.3791 -20.299 39.3786 -15.1448 94.5291 -20.299 94.5298 -71.3771 GPRESSURE: 4420200 81.5959 -45.732 22.1724 118.234 10.3798 92.203 -41.7613 127.097 9.55432 PRESSAVG: 4420200 60.4081 2.52143 35.8335 2.52144 10.1295 -16.9471 35.8335 -16.9471 -37.616 GPRESSAVG: 4420200 59.4532 3.30373 35.9417 3.90901 11.0078 -19.5092 36.8512 -13.6572 -37.1455 TIMING: 4420200 CPU: 12843.6, 0.00290989/step Wall: 12843.6, 0.00290989/step, 0.468655 hours remaining, 207.550781 MB of memory in use. ENERGY: 4420200 742.6770 2078.0294 1967.1873 102.1859 -206292.8932 17957.0134 0.0000 0.0000 34251.3435 -149194.4567 299.1255 -183445.8002 -149092.5005 299.0938 2.7025 33.8433 557829.5889 10.9739 11.1052 LDB: ============= START OF LOAD BALANCING ============== 12847 LDB: ============== END OF LOAD BALANCING =============== 12847 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12847 LDB: ============= START OF LOAD BALANCING ============== 12847.3 LDB: Largest compute 4848 load 0.027971 is 23.7% of average load 0.117777 LDB: Average compute 0.001733 is 1.5% of average load 0.117777 LDB: TIME 12847.3 LOAD: AVG 0.117777 MAX 0.180841 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 12847.3 LOAD: AVG 0.117777 MAX 0.180841 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: TIME 12847.3 LOAD: AVG 0.117777 MAX 0.180841 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12847.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12847.3 PRESSURE: 4420400 421.947 -30.0112 3.73741 -30.0108 8.75269 94.9071 3.73689 94.9077 -26.6307 GPRESSURE: 4420400 419.912 -66.5495 -86.6389 -2.1501 53.0573 143.336 31.3761 73.9906 12.3949 PRESSAVG: 4420400 8.5791 -21.228 1.91597 -21.228 -16.6443 7.83511 1.91599 7.83509 -20.6381 GPRESSAVG: 4420400 8.52637 -21.7315 -0.46659 -23.625 -16.5856 10.4886 2.24756 5.09021 -21.0331 TIMING: 4420400 CPU: 12844.2, 0.00298717/step Wall: 12844.2, 0.00298717/step, 0.480935 hours remaining, 206.074219 MB of memory in use. ENERGY: 4420400 731.9603 2135.9952 1982.5417 117.0619 -206535.0159 18054.4810 0.0000 0.0000 34359.1477 -149153.8280 300.0670 -183512.9758 -149058.3838 298.9121 134.6897 161.7882 557388.3307 -9.5678 -9.6975 PRESSURE: 4420600 69.6204 149.531 -109.439 149.531 162.561 -121.941 -109.439 -121.942 -104.061 GPRESSURE: 4420600 97.9478 163.572 -98.3278 23.7656 227.234 -62.6282 -138.847 -190.618 -110.755 PRESSAVG: 4420600 62.563 -13.1532 -0.108993 -13.1532 -17.1995 19.1516 -0.108942 19.1516 -12.2007 GPRESSAVG: 4420600 63.3282 -14.874 0.985921 -12.3483 -17.1319 16.659 -0.222354 18.9384 -12.5238 TIMING: 4420600 CPU: 12844.7, 0.00289809/step Wall: 12844.7, 0.00289809/step, 0.466432 hours remaining, 206.074219 MB of memory in use. ENERGY: 4420600 774.6749 2162.0340 1938.5935 119.7987 -206367.3680 18002.4029 0.0000 0.0000 34284.9530 -149084.9110 299.4190 -183369.8640 -148986.8810 299.6202 42.7067 71.4757 557374.4233 11.0543 11.2241 PRESSURE: 4420800 100.296 -17.5577 -3.77107 -17.5573 -108.833 154.096 -3.77061 154.097 -365.648 GPRESSURE: 4420800 57.6911 25.9131 28.8773 -17.9049 -69.1752 123.558 -81.9544 141.298 -263.721 PRESSAVG: 4420800 64.4229 -11.1654 13.6503 -11.1654 43.0691 52.6028 13.6504 52.6028 -112.524 GPRESSAVG: 4420800 63.5415 -10.4752 15.5039 -11.8252 41.614 53.4154 11.6812 53.7954 -110.556 TIMING: 4420800 CPU: 12845.3, 0.00290062/step Wall: 12845.3, 0.00290062/step, 0.466678 hours remaining, 206.074219 MB of memory in use. ENERGY: 4420800 769.3533 2093.1476 1979.5166 114.1845 -205978.2612 17738.9070 0.0000 0.0000 34040.5673 -149242.5848 297.2847 -183283.1521 -149146.8296 299.1757 -124.7282 -91.7351 558167.7571 -1.6775 -1.8002 PRESSURE: 4421000 -32.8545 -15.3554 5.92052 -15.3553 48.6911 49.8259 5.92103 49.8259 -26.8616 GPRESSURE: 4421000 33.3634 -51.4493 91.1395 8.43085 49.0651 75.3556 -55.2299 80.7868 11.3951 PRESSAVG: 4421000 40.9466 53.468 -12.1028 53.468 -33.2213 1.38902 -12.1028 1.38901 -6.63604 GPRESSAVG: 4421000 39.6145 54.0159 -12.7529 54.5166 -31.9359 1.47486 -11.2759 0.239422 -6.8005 TIMING: 4421000 CPU: 12845.9, 0.00291936/step Wall: 12845.9, 0.00291936/step, 0.469531 hours remaining, 206.074219 MB of memory in use. ENERGY: 4421000 731.0601 2020.9221 1926.9646 110.0831 -205851.0457 17800.2844 0.0000 0.0000 34148.8824 -149112.8491 298.2307 -183261.7315 -149015.3015 299.0781 -3.6750 31.2746 560154.7236 0.3631 0.2927 PRESSURE: 4421200 144.533 -22.7556 54.3268 -22.7552 124.606 -63.7438 54.327 -63.7444 -49.9422 GPRESSURE: 4421200 161.682 7.48652 47.1715 37.9901 143.787 -89.118 37.5952 -91.3523 16.8195 PRESSAVG: 4421200 52.3389 -8.53889 -48.4837 -8.5388 -91.8449 15.8883 -48.4836 15.8883 31.6786 GPRESSAVG: 4421200 53.9386 -7.8399 -50.5276 -9.42418 -92.4593 16.6443 -47.0613 15.4209 30.4093 TIMING: 4421200 CPU: 12846.5, 0.00292767/step Wall: 12846.5, 0.00292767/step, 0.470704 hours remaining, 206.074219 MB of memory in use. ENERGY: 4421200 792.9827 2093.7491 1962.4357 118.5895 -206225.9679 18054.2653 0.0000 0.0000 34199.8465 -149004.0991 298.6758 -183203.9456 -148911.5440 299.3459 73.0657 107.4295 558929.0607 -2.6091 -2.7038 PRESSURE: 4421400 -136.755 31.0964 -130.009 31.0974 -337.611 15.539 -130.007 15.5395 -230.288 GPRESSURE: 4421400 -168.283 31.5892 -110.391 -20.608 -262.947 57.633 -123.805 -3.21453 -180.518 PRESSAVG: 4421400 26.6132 -16.8635 -26.3772 -16.8634 -44.0005 13.0854 -26.3773 13.0855 5.24796 GPRESSAVG: 4421400 25.2221 -18.2246 -25.5976 -16.3235 -44.5235 12.3196 -26.4134 13.5605 7.50637 TIMING: 4421400 CPU: 12847.1, 0.00297157/step Wall: 12847.1, 0.00297157/step, 0.477597 hours remaining, 206.074219 MB of memory in use. ENERGY: 4421400 761.3839 2011.4846 1937.6646 124.2601 -205781.2036 17509.7575 0.0000 0.0000 34221.3945 -149215.2582 298.8639 -183436.6527 -149119.1968 299.5345 -234.8847 -203.9159 559376.3473 -4.0465 -3.9317 PRESSURE: 4421600 -195.744 78.7056 176.155 78.7063 -126.458 -59.7901 176.155 -59.7899 -335.427 GPRESSURE: 4421600 -195.263 75.1373 128.764 91.4737 -118.397 -33.6639 266.763 -10.5645 -240.622 PRESSAVG: 4421600 10.4256 33.7425 -13.9299 33.7424 -59.5542 -17.1775 -13.9299 -17.1775 37.2186 GPRESSAVG: 4421600 10.3574 33.6828 -13.3374 34.7251 -58.2215 -18.423 -13.4988 -16.6171 35.8226 TIMING: 4421600 CPU: 12847.7, 0.00291099/step Wall: 12847.7, 0.00291099/step, 0.467699 hours remaining, 206.074219 MB of memory in use. ENERGY: 4421600 742.0040 2045.3408 1980.8374 128.6762 -206018.7197 17494.5868 0.0000 0.0000 34140.0742 -149487.2003 298.1538 -183627.2745 -149395.1305 299.0784 -219.2097 -184.7610 558123.6995 -3.9700 -4.0139 PRESSURE: 4421800 -205.169 -21.1274 19.2033 -21.1277 -204.221 85.9504 19.2031 85.9497 257.432 GPRESSURE: 4421800 -173.183 3.16872 -30.3948 -37.6332 -165.167 138.111 63.2913 71.5813 272.563 PRESSAVG: 4421800 -16.8198 6.04051 -10.6336 6.04057 -60.7108 7.58211 -10.6336 7.5821 69.302 GPRESSAVG: 4421800 -16.0187 3.89535 -12.8543 6.01613 -61.631 8.76407 -10.3764 5.99418 69.546 TIMING: 4421800 CPU: 12848.2, 0.00290305/step Wall: 12848.2, 0.00290305/step, 0.466262 hours remaining, 206.074219 MB of memory in use. ENERGY: 4421800 710.3246 2102.4715 1968.1980 126.7892 -206172.5660 17697.4890 0.0000 0.0000 34175.7403 -149391.5533 298.4652 -183567.2936 -149299.1419 297.8463 -50.6525 -21.9290 558287.5886 -2.7428 -2.7012 PRESSURE: 4422000 157.592 129.502 72.8408 129.502 -196.053 77.7556 72.8409 77.754 9.96177 GPRESSURE: 4422000 176.404 110.599 43.8532 199.263 -157.003 119.814 138.635 -11.8282 48.7543 PRESSAVG: 4422000 21.212 -10.566 50.6293 -10.566 -42.9425 7.46997 50.6291 7.47003 38.5776 GPRESSAVG: 4422000 21.6206 -9.67605 51.8192 -12.2876 -43.2133 8.28913 48.6429 8.3128 39.0957 TIMING: 4422000 CPU: 12848.8, 0.00289264/step Wall: 12848.8, 0.00289264/step, 0.46443 hours remaining, 206.277344 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: 4422000 726.9237 2096.1864 1964.7210 117.0065 -206081.9764 17722.4046 0.0000 0.0000 34102.9000 -149351.8341 297.8291 -183454.7342 -149262.8581 298.5808 -9.4994 22.7185 558063.3476 5.6157 5.8344 PRESSURE: 4422200 -70.8503 -9.97796 78.9775 -9.97733 114.686 49.7086 78.9769 49.7084 363.262 GPRESSURE: 4422200 -9.22795 39.1286 -18.7321 53.0001 162.522 14.9486 126.322 -32.6969 361.397 PRESSAVG: 4422200 -36.0143 22.9372 53.9332 22.9372 6.31727 -20.7144 53.9333 -20.7144 39.7182 GPRESSAVG: 4422200 -36.6877 25.9791 54.5851 22.2157 7.76689 -22.5965 53.8995 -19.5317 39.0113 TIMING: 4422200 CPU: 12849.4, 0.00289371/step Wall: 12849.4, 0.00289371/step, 0.46444 hours remaining, 206.277344 MB of memory in use. ENERGY: 4422200 771.5363 2030.8657 1982.8586 106.6520 -206612.9019 18161.5063 0.0000 0.0000 34276.5197 -149282.9633 299.3454 -183559.4831 -149191.3558 298.6306 135.6993 171.5639 558516.1872 3.3404 3.3635 PRESSURE: 4422400 165.986 -26.4437 -149.543 -26.443 95.5819 -195.03 -149.543 -195.03 180.296 GPRESSURE: 4422400 219.425 -87.0359 -188.972 25.9346 156.972 -156.339 -57.2493 -210.849 159.747 PRESSAVG: 4422400 51.6111 40.8898 66.7125 40.8897 -110.518 -68.6495 66.7125 -68.6495 36.0872 GPRESSAVG: 4422400 50.8988 39.1568 66.9699 41.5279 -110.699 -67.8347 67.5367 -70.2553 36.9803 TIMING: 4422400 CPU: 12850, 0.00290484/step Wall: 12850, 0.00290484/step, 0.466066 hours remaining, 206.277344 MB of memory in use. ENERGY: 4422400 695.1269 2075.7218 1965.1265 129.4761 -206426.8486 18200.8414 0.0000 0.0000 34189.5979 -149170.9578 298.5863 -183360.5557 -149073.9375 298.6290 147.2881 178.7146 558376.0180 -7.6064 -7.6067 PRESSURE: 4422600 -166.066 3.5367 -39.9213 3.53633 363.141 109.664 -39.9223 109.665 28.2112 GPRESSURE: 4422600 -122.309 -49.346 -79.4185 75.1189 285.679 92.1734 -28.5955 143.021 147.535 PRESSAVG: 4422600 -24.4879 12.5008 62.5534 12.5009 80.0793 38.8543 62.5533 38.8543 -4.20269 GPRESSAVG: 4422600 -24.5934 12.5584 62.3949 12.3652 80.2069 40.2497 61.6927 39.611 -4.19084 TIMING: 4422600 CPU: 12850.6, 0.00289504/step Wall: 12850.6, 0.00289504/step, 0.464332 hours remaining, 206.277344 MB of memory in use. ENERGY: 4422600 707.0823 2091.3102 1965.2535 119.2853 -206285.3696 18021.2217 0.0000 0.0000 34136.2701 -149244.9465 298.1205 -183381.2166 -149141.7803 299.3899 75.0952 103.6348 558252.4642 17.1296 17.1409 PRESSURE: 4422800 -90.0486 -32.5615 127.114 -32.5622 215.829 36.255 127.114 36.2547 178.538 GPRESSURE: 4422800 -25.7972 -37.7791 95.5851 -51.3689 231.324 83.1806 113.486 53.8415 177.472 PRESSAVG: 4422800 -37.5635 -42.4216 21.6461 -42.4216 65.0541 31.4784 21.6461 31.4784 -15.407 GPRESSAVG: 4422800 -35.9447 -42.7181 21.5735 -39.2882 64.2808 31.529 20.6641 30.8515 -16.1771 TIMING: 4422800 CPU: 12851.1, 0.00291755/step Wall: 12851.1, 0.00291755/step, 0.46778 hours remaining, 206.277344 MB of memory in use. ENERGY: 4422800 773.7215 2073.2609 1932.2028 118.2394 -206626.6265 18081.7244 0.0000 0.0000 34219.0590 -149428.4185 298.8436 -183647.4775 -149336.0350 298.4116 101.4393 127.6662 556851.2940 4.0279 4.0530 PRESSURE: 4423000 -252.126 93.6146 120.04 93.6148 -197.424 -7.33264 120.039 -7.33436 -249.062 GPRESSURE: 4423000 -253.938 112.302 122.474 110.405 -130.928 57.9928 161.03 -98.4738 -225.859 PRESSAVG: 4423000 13.1185 31.6627 -19.7202 31.6627 -13.9773 12.4089 -19.7202 12.4089 34.0346 GPRESSAVG: 4423000 12.7769 32.033 -20.5852 29.7465 -13.882 10.2165 -18.5501 13.5934 34.3871 TIMING: 4423000 CPU: 12851.7, 0.0028965/step Wall: 12851.7, 0.0028965/step, 0.464244 hours remaining, 206.277344 MB of memory in use. ENERGY: 4423000 754.7997 2110.4195 1960.0163 108.6080 -206284.1859 17553.9592 0.0000 0.0000 34241.1645 -149555.2189 299.0366 -183796.3834 -149451.3712 298.9419 -232.8708 -203.5748 556231.7374 11.0586 11.0940 PRESSURE: 4423200 -308.088 -25.6689 -85.1743 -25.6692 -348.285 5.31225 -85.1722 5.31217 -137.719 GPRESSURE: 4423200 -287.67 -64.8736 -84.5069 17.4419 -296.935 57.606 -100.786 -18.6987 -110.009 PRESSAVG: 4423200 -43.019 -3.00531 26.9596 -3.00534 30.9041 -0.558495 26.9596 -0.558496 62.9773 GPRESSAVG: 4423200 -43.3704 -3.55164 28.7542 -3.42248 32.4027 0.536615 27.5441 -1.83139 61.9841 TIMING: 4423200 CPU: 12852.3, 0.00289085/step Wall: 12852.3, 0.00289085/step, 0.463179 hours remaining, 206.277344 MB of memory in use. ENERGY: 4423200 759.3301 2084.1506 1954.1226 113.7277 -206122.1930 17474.9911 0.0000 0.0000 34132.9471 -149602.9238 298.0915 -183735.8709 -149503.3471 297.4153 -264.6975 -231.5378 556669.3063 16.9541 17.0055 PRESSURE: 4423400 7.04648 -210.943 -31.8078 -210.941 -246.977 -18.0161 -31.8088 -18.0152 76.4236 GPRESSURE: 4423400 46.499 -215.125 -17.3135 -148.333 -188.864 -3.26094 -72.0795 -68.903 73.183 PRESSAVG: 4423400 -38.0421 30.6029 -62.5798 30.6028 36.586 13.1105 -62.5799 13.1105 8.0444 GPRESSAVG: 4423400 -36.6621 32.183 -63.2214 29.7475 35.6954 14.3678 -62.0908 13.0676 7.87995 TIMING: 4423400 CPU: 12852.9, 0.00288776/step Wall: 12852.9, 0.00288776/step, 0.462523 hours remaining, 206.277344 MB of memory in use. ENERGY: 4423400 770.5899 2127.0356 1947.5281 123.8930 -206613.1267 17692.1461 0.0000 0.0000 34250.4333 -149701.5007 299.1176 -183951.9340 -149607.8283 297.9771 -54.5024 -23.0606 555885.4781 2.1961 2.3044 PRESSURE: 4423600 244.668 99.5816 15.8703 99.5813 20.3296 -60.5588 15.8698 -60.5585 145.682 GPRESSURE: 4423600 295.486 77.1427 -0.56067 57.7005 44.7443 -98.8198 -18.5776 -75.9272 164.66 PRESSAVG: 4423600 -11.0478 -14.8491 36.2703 -14.849 -10.9077 -7.10973 36.2703 -7.10978 47.1014 GPRESSAVG: 4423600 -12.4932 -16.5117 35.6329 -15.4199 -11.3066 -7.40664 34.1601 -8.13957 48.9622 TIMING: 4423600 CPU: 12853.4, 0.00286774/step Wall: 12853.4, 0.00286774/step, 0.459157 hours remaining, 206.277344 MB of memory in use. ENERGY: 4423600 730.6776 2117.6720 1935.8467 105.7990 -206949.6366 18023.6616 0.0000 0.0000 34164.7865 -149871.1932 298.3696 -184035.9797 -149773.7321 298.0607 136.8931 168.2968 554537.5037 8.3820 8.3875 PRESSURE: 4423800 -362.133 -178.666 51.2745 -178.667 -49.2548 195.971 51.2749 195.973 -356.607 GPRESSURE: 4423800 -251.904 -154.9 130.79 -136.151 -42.2643 194.73 14.9231 199.299 -379.894 PRESSAVG: 4423800 29.1897 -34.3693 23.7899 -34.3693 34.0124 -20.2731 23.7899 -20.273 -13.6339 GPRESSAVG: 4423800 30.9845 -34.6478 25.8137 -31.037 34.5237 -20.9586 24.0451 -18.9998 -16.1039 TIMING: 4423800 CPU: 12854, 0.00291968/step Wall: 12854, 0.00291968/step, 0.46731 hours remaining, 206.277344 MB of memory in use. ENERGY: 4423800 716.3150 2097.3065 1954.1544 120.7544 -206186.4509 17566.1752 0.0000 0.0000 34081.8051 -149649.9403 297.6449 -183731.7454 -149544.8623 297.5507 -255.9983 -224.6872 557147.9005 16.5227 16.4681 PRESSURE: 4424000 51.1863 76.193 132.143 76.1935 131.445 -122.902 132.144 -122.903 -83.7163 GPRESSURE: 4424000 64.418 30.7002 137.459 66.7674 137.264 -58.2859 112.52 -97.8565 -13.2627 PRESSAVG: 4424000 -35.9013 -16.5263 86.905 -16.5263 64.0671 -5.07439 86.905 -5.07452 -26.0228 GPRESSAVG: 4424000 -35.5615 -17.036 84.8417 -18.3025 62.9735 -4.97207 88.3503 -4.16296 -24.7938 TIMING: 4424000 CPU: 12854.6, 0.00288645/step Wall: 12854.6, 0.00288645/step, 0.461832 hours remaining, 206.277344 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: 4424000 754.4685 2095.8359 1967.2630 116.4033 -206736.7419 17937.7865 0.0000 0.0000 34214.5716 -149650.4131 298.8044 -183864.9847 -149557.9524 297.5719 32.9717 62.8064 555812.2416 0.7143 0.8727 PRESSURE: 4424200 122.061 210.847 158.812 210.848 228.517 -19.7629 158.812 -19.7623 76.7868 GPRESSURE: 4424200 109.554 133.02 173.212 193.405 256.809 -29.7953 149.477 -88.1788 158.201 PRESSAVG: 4424200 4.70952 -30.1621 60.5348 -30.1621 -80.6178 0.337895 60.5348 0.337902 45.3266 GPRESSAVG: 4424200 3.40885 -29.2851 58.6205 -30.4723 -78.8522 1.37214 59.6516 -1.4076 44.8322 TIMING: 4424200 CPU: 12855.2, 0.00289605/step Wall: 12855.2, 0.00289605/step, 0.463207 hours remaining, 206.277344 MB of memory in use. ENERGY: 4424200 758.4117 2126.8954 1972.8163 122.1710 -206454.7700 17986.1590 0.0000 0.0000 34062.1364 -149426.1803 297.4731 -183488.3167 -149334.4384 298.2631 142.4549 174.8548 556415.7616 -10.1939 -10.2037 LDB: ============= START OF LOAD BALANCING ============== 12858.7 LDB: ============== END OF LOAD BALANCING =============== 12858.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12858.7 LDB: ============= START OF LOAD BALANCING ============== 12858.9 LDB: Largest compute 4848 load 0.027648 is 23.5% of average load 0.117764 LDB: Average compute 0.001728 is 1.5% of average load 0.117764 LDB: TIME 12858.9 LOAD: AVG 0.117764 MAX 0.179255 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.125 MB LDB: TIME 12858.9 LOAD: AVG 0.117764 MAX 0.179255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.328 MB LDB: TIME 12858.9 LOAD: AVG 0.117764 MAX 0.179255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12858.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12859 PRESSURE: 4424400 238.731 165.753 -65.4465 165.752 139.252 186.932 -65.4472 186.932 -143.989 GPRESSURE: 4424400 255.107 165.949 -11.9145 183.335 158.986 41.9366 -91.8123 138.141 -75.9095 PRESSAVG: 4424400 54.3072 -0.899709 -13.0248 -0.89977 17.291 -7.1192 -13.0248 -7.11923 -87.5655 GPRESSAVG: 4424400 55.1451 -2.77089 -11.1359 -0.273237 16.1128 -7.54585 -12.0034 -5.70791 -87.0875 TIMING: 4424400 CPU: 12855.8, 0.00294718/step Wall: 12855.8, 0.00294718/step, 0.471221 hours remaining, 208.117188 MB of memory in use. ENERGY: 4424400 727.7042 2072.5594 1955.5605 110.9590 -206314.9246 17840.2201 0.0000 0.0000 34239.3574 -149368.5640 299.0208 -183607.9214 -149267.6132 298.6766 77.9976 112.7279 557203.9026 -5.3224 -5.2765 PRESSURE: 4424600 -148.233 -8.31857 159.039 -8.31839 -277.45 93.2718 159.039 93.2737 -176.481 GPRESSURE: 4424600 -150.666 -101.985 101.006 134.674 -222.552 75.3571 288.483 100.615 -141.884 PRESSAVG: 4424600 25.5084 -1.33323 69.0529 -1.33324 -16.0173 -16.4002 69.053 -16.4002 -0.195918 GPRESSAVG: 4424600 25.6286 3.06512 69.118 -3.86186 -16.0449 -14.4417 67.9133 -16.645 -0.536149 TIMING: 4424600 CPU: 12856.4, 0.00290003/step Wall: 12856.4, 0.00290003/step, 0.463521 hours remaining, 208.187500 MB of memory in use. ENERGY: 4424600 754.7823 2134.1745 1969.2833 107.9939 -206290.0979 17657.4002 0.0000 0.0000 34292.7109 -149373.7528 299.4868 -183666.4637 -149273.9739 298.8180 -200.7214 -171.7011 557168.9367 3.0984 3.0159 PRESSURE: 4424800 -144.834 -56.9865 -9.16373 -56.9865 -212.846 -85.8677 -9.16413 -85.868 -400.174 GPRESSURE: 4424800 -83.5419 -28.8348 93.579 -102.214 -229.178 22.7933 -125.088 -93.2752 -338.542 PRESSAVG: 4424800 9.7197 -2.33186 -9.45837 -2.33185 11.8721 -26.2344 -9.45835 -26.2345 -13.1392 GPRESSAVG: 4424800 9.37121 -4.18161 -10.9893 -0.916995 11.5554 -27.1784 -8.15677 -27.7443 -11.6352 TIMING: 4424800 CPU: 12856.9, 0.00289594/step Wall: 12856.9, 0.00289594/step, 0.462707 hours remaining, 208.187500 MB of memory in use. ENERGY: 4424800 778.8187 2076.9213 1956.6537 109.5091 -206171.1121 17637.8635 0.0000 0.0000 34214.8823 -149396.4635 298.8071 -183611.3458 -149299.6245 299.1815 -252.6179 -217.0874 558226.7296 2.8175 3.0971 PRESSURE: 4425000 -69.6339 4.67831 -64.9559 4.67836 -207.94 -149.734 -64.9555 -149.734 -84.528 GPRESSURE: 4425000 -1.06315 56.286 -52.6527 33.9461 -193.474 -217.718 -145.026 -123.089 -63.56 PRESSAVG: 4425000 33.9247 2.28575 -28.0269 2.28577 -36.6585 -32.936 -28.0269 -32.936 50.3975 GPRESSAVG: 4425000 33.7739 0.665254 -27.9507 1.90819 -34.9002 -33.7656 -27.1068 -31.2678 49.3333 TIMING: 4425000 CPU: 12857.5, 0.00290493/step Wall: 12857.5, 0.00290493/step, 0.463982 hours remaining, 208.187500 MB of memory in use. ENERGY: 4425000 834.6558 2064.9519 1989.4710 126.2997 -206400.7898 17743.9210 0.0000 0.0000 34313.9187 -149327.5717 299.6720 -183641.4904 -149233.8278 299.4987 -120.7005 -86.0325 556980.4864 15.8879 16.0690 PRESSURE: 4425200 -235.498 -165.953 115.582 -165.953 -190.425 179.579 115.582 179.577 233.3 GPRESSURE: 4425200 -203.058 -141.154 54.1264 -118.802 -118.004 195.171 74.7599 149.609 224.891 PRESSAVG: 4425200 1.72334 15.4743 -3.72868 15.4742 -19.3604 47.2427 -3.7287 47.2427 18.0736 GPRESSAVG: 4425200 1.97006 14.7255 -2.72918 17.9392 -20.0685 46.7543 -4.92626 47.8618 18.8882 TIMING: 4425200 CPU: 12858.1, 0.0028953/step Wall: 12858.1, 0.0028953/step, 0.462283 hours remaining, 208.187500 MB of memory in use. ENERGY: 4425200 725.3488 2084.4328 1938.6104 112.4495 -206347.6546 17819.1689 0.0000 0.0000 34159.2188 -149508.4255 298.3210 -183667.6443 -149416.0153 298.3548 -64.2079 -32.0572 558116.4998 0.1455 0.2633 PRESSURE: 4425400 -217.92 47.9873 156.831 47.9869 -323.988 -25.8852 156.831 -25.8851 324.487 GPRESSURE: 4425400 -175.028 24.7241 183.611 -38.997 -219.277 -63.9759 196.716 40.4516 266.961 PRESSAVG: 4425400 -70.113 32.6057 -8.38966 32.6057 -22.0173 4.29672 -8.38976 4.29668 73.9362 GPRESSAVG: 4425400 -70.249 33.562 -7.33523 31.2057 -21.8236 3.3766 -10.5495 3.74114 74.1831 TIMING: 4425400 CPU: 12858.7, 0.00290876/step Wall: 12858.7, 0.00290876/step, 0.464271 hours remaining, 208.187500 MB of memory in use. ENERGY: 4425400 757.9624 2141.5092 1959.5554 102.7233 -206316.7625 17702.4017 0.0000 0.0000 34157.8823 -149494.7282 298.3093 -183652.6105 -149400.4528 298.7638 -72.4738 -42.4480 556814.0857 -6.0647 -5.9631 PRESSURE: 4425600 7.93919 11.4271 -40.779 11.4259 -305.734 68.8852 -40.7782 68.8862 -117.753 GPRESSURE: 4425600 60.8172 -41.1023 -57.2443 -68.8069 -260.249 102.392 -39.292 87.3793 -128.207 PRESSAVG: 4425600 100.06 81.7375 49.7672 81.7374 -12.6234 -22.3204 49.7672 -22.3203 -14.8239 GPRESSAVG: 4425600 100.511 83.4653 49.4239 80.287 -12.7553 -21.2509 51.1532 -21.6658 -15.0858 TIMING: 4425600 CPU: 12859.3, 0.00289145/step Wall: 12859.3, 0.00289145/step, 0.461347 hours remaining, 208.187500 MB of memory in use. ENERGY: 4425600 740.2527 2068.6297 1949.1236 108.7461 -206046.5056 17600.4525 0.0000 0.0000 34193.9860 -149385.3151 298.6246 -183579.3010 -149283.1621 299.0753 -138.5160 -109.2126 556939.6616 24.2044 24.2233 PRESSURE: 4425800 190.169 118.985 14.594 118.986 230.552 1.09714 14.5955 1.09606 -34.5312 GPRESSURE: 4425800 215.076 145.821 -26.0134 96.6829 253.886 57.0144 33.1336 -57.0121 21.4428 PRESSAVG: 4425800 -8.68593 11.1302 -12.9193 11.1302 43.0276 47.1322 -12.9193 47.1323 39.2682 GPRESSAVG: 4425800 -8.54783 11.2518 -14.329 12.3116 43.8654 47.4198 -11.8157 46.1433 38.2857 TIMING: 4425800 CPU: 12859.8, 0.00290111/step Wall: 12859.8, 0.00290111/step, 0.462727 hours remaining, 208.187500 MB of memory in use. ENERGY: 4425800 729.7105 2061.1884 1927.0048 111.8680 -206159.9026 17984.7414 0.0000 0.0000 33980.1082 -149365.2813 296.7567 -183345.3894 -149270.0479 298.8919 128.7300 163.4683 556838.3151 24.5366 24.5344 PRESSURE: 4426000 263.728 57.8822 107.223 57.883 -133.112 -165.719 107.224 -165.72 -152.178 GPRESSURE: 4426000 238.051 -23.05 119.239 118.332 -76.3588 -218.701 72.3746 -164.781 -88.9635 PRESSAVG: 4426000 -7.84176 14.5737 72.6789 14.5737 -10.6921 26.6729 72.6789 26.6727 35.309 GPRESSAVG: 4426000 -10.1296 14.3033 74.9166 14.577 -9.17199 25.4977 71.5516 27.7215 36.3965 TIMING: 4426000 CPU: 12860.4, 0.00291246/step Wall: 12860.4, 0.00291246/step, 0.464375 hours remaining, 208.187500 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: 4426000 726.3115 2097.7891 1957.2299 122.3393 -205933.8891 17729.0187 0.0000 0.0000 34172.7570 -149128.4436 298.4392 -183301.2006 -149029.7142 298.5600 -7.1873 24.2430 556870.7799 5.5917 5.6983 PRESSURE: 4426200 9.99077 61.9306 -184.706 61.9298 -118.698 60.6481 -184.707 60.6482 -261.637 GPRESSURE: 4426200 16.7594 62.3524 -207.938 141.473 -94.4076 74.9352 -93.9101 36.9764 -195.717 PRESSAVG: 4426200 4.15509 7.50927 26.0363 7.50925 -8.37987 -4.95529 26.0364 -4.95527 -16.8206 GPRESSAVG: 4426200 6.21843 8.5061 25.1259 6.54002 -9.84309 -4.5716 24.9589 -5.3485 -16.5552 TIMING: 4426200 CPU: 12861, 0.00289571/step Wall: 12861, 0.00289571/step, 0.461545 hours remaining, 208.187500 MB of memory in use. ENERGY: 4426200 770.7106 2075.0295 1951.2649 119.8311 -205870.5374 17550.8450 0.0000 0.0000 34308.2564 -149094.6000 299.6225 -183402.8564 -149001.9850 299.0068 -123.4478 -91.1216 555416.6040 -7.0151 -6.7266 PRESSURE: 4426400 -119.133 249.078 18.2523 249.078 -173.461 7.60219 18.2519 7.60288 56.1472 GPRESSURE: 4426400 -117.551 96.3161 25.5151 252.931 -159.345 -25.3531 -11.1405 2.01644 143.867 PRESSAVG: 4426400 -10.518 -2.48464 41.1918 -2.48462 21.0938 -21.5114 41.1918 -21.5113 -18.1714 GPRESSAVG: 4426400 -10.2921 -4.68619 40.5076 -3.23574 20.3635 -22.591 42.094 -20.999 -17.297 TIMING: 4426400 CPU: 12861.6, 0.00288353/step Wall: 12861.6, 0.00288353/step, 0.459442 hours remaining, 208.187500 MB of memory in use. ENERGY: 4426400 755.8264 2024.2131 1976.2776 114.7327 -205741.8890 17658.0811 0.0000 0.0000 34200.4553 -149012.3027 298.6811 -183212.7580 -148907.4944 299.2788 -78.8158 -44.3430 558508.7937 -2.5318 -2.4086 PRESSURE: 4426600 -220.168 -29.6221 140.149 -29.6209 -160.788 221.777 140.149 221.778 -380.402 GPRESSURE: 4426600 -175.779 -65.7207 205.285 -2.4595 -173.233 171.254 140.216 237.007 -317.599 PRESSAVG: 4426600 -11.6454 11.6261 28.7664 11.6261 -6.38946 -2.02007 28.7664 -2.02004 15.2178 GPRESSAVG: 4426600 -12.0315 10.7645 29.6647 11.277 -4.7259 -1.55573 30.8102 -0.817622 13.8389 TIMING: 4426600 CPU: 12862.2, 0.00289424/step Wall: 12862.2, 0.00289424/step, 0.460988 hours remaining, 208.187500 MB of memory in use. ENERGY: 4426600 762.5980 2049.3875 1975.9541 117.4972 -205563.5713 17449.1690 0.0000 0.0000 34250.6149 -148958.3507 299.1191 -183208.9656 -148860.5065 299.9339 -253.7861 -222.2036 560122.1520 -0.9390 -0.9729 PRESSURE: 4426800 -116.997 80.3375 41.3836 80.3385 -100.312 8.36069 41.3834 8.36024 -390.73 GPRESSURE: 4426800 -66.5438 137.253 -22.172 80.7722 -136.464 -21.9486 37.5824 39.4321 -307.136 PRESSAVG: 4426800 -17.0318 17.0414 6.06627 17.0415 -4.3338 71.3784 6.0663 71.3784 5.20501 GPRESSAVG: 4426800 -16.6496 18.4286 4.57247 16.3542 -4.56895 71.9866 7.29511 68.2515 5.07186 TIMING: 4426800 CPU: 12862.7, 0.00287357/step Wall: 12862.7, 0.00287357/step, 0.457537 hours remaining, 208.187500 MB of memory in use. ENERGY: 4426800 782.2841 2106.6208 1960.4467 110.7402 -205676.9163 17560.5236 0.0000 0.0000 34168.4018 -148987.8992 298.4012 -183156.3010 -148899.2874 299.1868 -202.6795 -170.0479 558825.7079 -5.3869 -5.3822 PRESSURE: 4427000 -56.6595 120.289 203.903 120.289 184.038 -152.46 203.903 -152.459 239.06 GPRESSURE: 4427000 25.9833 52.3273 77.0729 130.964 244.315 -142.833 195.409 -201.352 206.443 PRESSAVG: 4427000 7.58294 -11.9146 10.7483 -11.9147 6.23872 12.938 10.7484 12.9379 -29.267 GPRESSAVG: 4427000 6.87218 -12.999 11.7748 -8.55893 6.78018 12.1297 8.04753 13.9534 -28.3871 TIMING: 4427000 CPU: 12863.3, 0.00287721/step Wall: 12863.3, 0.00287721/step, 0.457956 hours remaining, 208.187500 MB of memory in use. ENERGY: 4427000 751.8101 2046.9555 1959.7736 109.8202 -205993.6982 17789.1223 0.0000 0.0000 34399.9743 -148936.2421 300.4235 -183336.2164 -148841.8591 300.0306 122.1462 158.9136 557309.3705 -5.1485 -4.9116 PRESSURE: 4427200 -291.333 -111.389 -57.275 -111.389 194.341 -130.218 -57.2757 -130.219 154.778 GPRESSURE: 4427200 -196.378 -108.683 -58.5143 -188.154 219.228 -44.7587 -44.4661 -143.276 144.413 PRESSAVG: 4427200 -26.2 0.771753 6.75231 0.771759 2.24966 -27.2111 6.75229 -27.2112 74.398 GPRESSAVG: 4427200 -24.6253 1.69393 6.43742 0.630122 1.85915 -27.6781 7.26406 -26.5608 73.7577 TIMING: 4427200 CPU: 12863.9, 0.00287588/step Wall: 12863.9, 0.00287588/step, 0.457585 hours remaining, 208.187500 MB of memory in use. ENERGY: 4427200 754.4404 2062.6397 1948.4585 111.7575 -206118.1738 17747.5000 0.0000 0.0000 34501.4430 -148991.9348 301.3097 -183493.3777 -148888.6610 300.3485 19.2622 55.7544 556315.2762 16.8159 16.9972 PRESSURE: 4427400 327.887 69.9963 -68.158 69.9966 -4.11443 -79.1392 -68.1577 -79.1384 -70.8112 GPRESSURE: 4427400 316.792 58.6048 -43.4162 106.076 5.49424 -57.0039 -112.768 -108.465 17.3248 PRESSAVG: 4427400 -64.8149 48.0059 11.6345 48.0057 22.4393 16.1843 11.6345 16.1844 29.7678 GPRESSAVG: 4427400 -65.4238 48.8076 9.76413 45.0317 22.3501 18.5182 11.8754 15.1683 30.4514 TIMING: 4427400 CPU: 12864.5, 0.00287785/step Wall: 12864.5, 0.00287785/step, 0.457738 hours remaining, 208.187500 MB of memory in use. ENERGY: 4427400 713.5160 2054.6602 1959.5013 113.0846 -205854.2790 17795.4571 0.0000 0.0000 34278.4411 -148939.6186 299.3622 -183218.0598 -148834.2416 299.7171 84.3204 113.2037 557322.0932 -4.2026 -4.2075 PRESSURE: 4427600 -132.861 -86.8541 -9.11795 -86.8552 73.7892 -47.7569 -9.11906 -47.7568 232.363 GPRESSURE: 4427600 -165.073 -116.589 -124.22 -13.0985 154.542 -128.435 33.8135 -66.9438 266.227 PRESSAVG: 4427600 5.98482 20.8819 29.6342 20.8819 3.40366 -15.1455 29.6341 -15.1454 -13.6078 GPRESSAVG: 4427600 6.73555 20.2981 29.531 21.7338 3.17669 -15.4052 28.9128 -16.5261 -14.3533 TIMING: 4427600 CPU: 12865, 0.002891/step Wall: 12865, 0.002891/step, 0.459669 hours remaining, 208.390625 MB of memory in use. ENERGY: 4427600 750.7751 2038.9704 1994.9575 115.3402 -206166.6321 17978.5930 0.0000 0.0000 34360.4051 -148927.5909 300.0780 -183287.9959 -148827.2662 299.5440 57.7637 85.2318 558357.7199 -1.4064 -1.4804 PRESSURE: 4427800 -229.187 -125.612 -5.29474 -125.612 -343.845 145.563 -5.29519 145.562 -367.715 GPRESSURE: 4427800 -141.147 -67.4756 124.853 -228.261 -300.484 118.272 -39.9257 86.42 -401.938 PRESSAVG: 4427800 -69.1277 -65.2633 -12.3665 -65.2634 32.3892 0.948281 -12.3666 0.948341 4.38049 GPRESSAVG: 4427800 -69.5963 -65.7505 -11.7424 -63.7705 32.6046 -0.0682921 -11.4689 2.00757 4.33569 TIMING: 4427800 CPU: 12865.6, 0.00290671/step Wall: 12865.6, 0.00290671/step, 0.462006 hours remaining, 208.390625 MB of memory in use. ENERGY: 4427800 781.6123 2105.4059 1983.4559 110.4525 -205886.9815 17362.3026 0.0000 0.0000 34664.2715 -148879.4809 302.7317 -183543.7524 -148783.8619 301.2129 -313.5824 -281.1898 558211.0897 -10.7860 -10.8853 PRESSURE: 4428000 -78.299 20.4086 -13.0327 20.4073 -4.38066 255.551 -13.033 255.552 64.3496 GPRESSURE: 4428000 -85.0073 46.3846 -38.8771 -66.3529 32.6776 227.806 9.40538 203.669 135.99 PRESSAVG: 4428000 25.4565 -27.3125 41.043 -27.3124 45.1194 3.98722 41.043 3.98712 -63.3293 GPRESSAVG: 4428000 25.8958 -27.6903 43.0733 -27.2012 43.4367 6.50496 40.4228 2.64864 -62.2867 TIMING: 4428000 CPU: 12866.2, 0.00289313/step Wall: 12866.2, 0.00289313/step, 0.459686 hours remaining, 208.390625 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: 4428000 720.8687 2155.0250 1949.0176 115.7108 -205947.2684 17728.1998 0.0000 0.0000 34357.8569 -148920.5897 300.0557 -183278.4466 -148822.8610 300.4596 -6.1100 27.8866 556606.6423 2.4155 2.3486 PRESSURE: 4428200 -160.367 59.2705 -59.7491 59.2704 -11.4131 130.496 -59.7489 130.496 76.727 GPRESSURE: 4428200 -129.303 -14.6104 -37.5466 160.902 68.2316 79.6651 -32.062 181.378 58.1715 PRESSAVG: 4428200 -26.4497 8.87556 -4.15868 8.87567 -22.7517 45.7835 -4.15872 45.7833 15.7756 GPRESSAVG: 4428200 -26.3194 7.97026 -6.02668 10.1234 -20.8143 43.1142 -4.10207 47.999 14.1415 TIMING: 4428200 CPU: 12866.8, 0.00288877/step Wall: 12866.8, 0.00288877/step, 0.458833 hours remaining, 208.390625 MB of memory in use. ENERGY: 4428200 735.3819 2120.4318 1947.1588 114.9977 -206182.0680 17750.9196 0.0000 0.0000 34222.6553 -149290.5229 298.8750 -183513.1781 -149199.2895 299.6906 -31.6845 -0.9668 557299.1565 -11.1420 -10.9974 LDB: ============= START OF LOAD BALANCING ============== 12870.2 LDB: ============== END OF LOAD BALANCING =============== 12870.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12870.2 LDB: ============= START OF LOAD BALANCING ============== 12870.5 LDB: Largest compute 4848 load 0.027190 is 23.1% of average load 0.117759 LDB: Average compute 0.001729 is 1.5% of average load 0.117759 LDB: TIME 12870.5 LOAD: AVG 0.117759 MAX 0.179664 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.988 MB LDB: TIME 12870.5 LOAD: AVG 0.117759 MAX 0.179664 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: TIME 12870.5 LOAD: AVG 0.117759 MAX 0.179664 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12870.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12870.5 PRESSURE: 4428400 -306.563 -44.5284 25.2071 -44.5297 -284.642 70.3462 25.2078 70.3464 -178.351 GPRESSURE: 4428400 -263.911 -35.335 24.0438 -8.23786 -280.305 120.228 -68.4024 -24.2511 -124.764 PRESSAVG: 4428400 -4.51989 -26.5893 11.5464 -26.5893 -5.69794 10.1789 11.5465 10.1789 41.4475 GPRESSAVG: 4428400 -4.75446 -24.4271 12.1461 -27.4454 -5.75641 12.3585 13.0154 10.049 42.063 TIMING: 4428400 CPU: 12867.4, 0.00292934/step Wall: 12867.4, 0.00292934/step, 0.465114 hours remaining, 206.843750 MB of memory in use. ENERGY: 4428400 740.9207 2076.8208 1956.8558 111.3102 -205980.9969 17514.4082 0.0000 0.0000 34224.8672 -149355.8140 298.8943 -183580.6812 -149263.0732 299.3527 -256.5186 -222.9934 559689.8074 10.4099 10.5174 PRESSURE: 4428600 -182.36 -82.8302 226.977 -82.8307 -4.21893 -35.2038 226.977 -35.2038 53.87 GPRESSURE: 4428600 -149.405 -147.614 237.926 -68.2214 9.85882 -39.9781 110.282 12.0229 114.171 PRESSAVG: 4428600 -11.5408 8.77461 1.73682 8.77458 -6.00837 -7.62708 1.73675 -7.627 34.2675 GPRESSAVG: 4428600 -11.8835 7.58623 2.60753 8.72934 -6.0506 -9.58505 0.860713 -7.03407 34.4414 TIMING: 4428600 CPU: 12867.9, 0.00286382/step Wall: 12867.9, 0.00286382/step, 0.454552 hours remaining, 206.843750 MB of memory in use. ENERGY: 4428600 749.2250 2050.2892 1963.8453 107.8198 -206285.6005 17839.1185 0.0000 0.0000 34295.1549 -149280.1478 299.5081 -183575.3027 -149189.3330 299.1598 -44.2361 -8.4583 557664.9440 5.5728 5.5024 PRESSURE: 4428800 -97.793 47.0955 -38.7779 47.0961 41.2797 2.65624 -38.7787 2.65592 -240.358 GPRESSURE: 4428800 -47.8231 20.8401 13.1706 42.5473 112.161 -66.2313 -146.823 30.7395 -257.516 PRESSAVG: 4428800 -19.8801 -15.8762 -22.8384 -15.8762 -2.41776 7.67583 -22.8384 7.67585 -7.32619 GPRESSAVG: 4428800 -18.7693 -16.9818 -22.7682 -14.5764 -3.08097 9.83768 -24.1413 6.45129 -7.63636 TIMING: 4428800 CPU: 12868.5, 0.00288884/step Wall: 12868.5, 0.00288884/step, 0.458362 hours remaining, 206.843750 MB of memory in use. ENERGY: 4428800 758.4150 2021.0517 1968.4999 106.4399 -205718.3892 17451.6133 0.0000 0.0000 34283.5952 -149128.7741 299.4072 -183412.3693 -149032.3043 299.1553 -98.9571 -64.3928 556928.1166 -9.8747 -9.8289 PRESSURE: 4429000 46.2029 23.1919 49.6274 23.1919 -203.257 -161.177 49.628 -161.176 -7.33055 GPRESSURE: 4429000 70.4797 -10.0867 76.2343 40.9982 -174.59 -37.0244 -5.38542 -282.449 22.4966 PRESSAVG: 4429000 3.56344 33.3442 17.2567 33.3441 -11.1802 -6.56393 17.2567 -6.56385 -12.5189 GPRESSAVG: 4429000 3.56848 35.6679 17.8558 31.5309 -11.6179 -7.33394 17.6625 -6.52608 -11.1741 TIMING: 4429000 CPU: 12869.1, 0.00289677/step Wall: 12869.1, 0.00289677/step, 0.45946 hours remaining, 206.843750 MB of memory in use. ENERGY: 4429000 772.7150 2019.7946 1985.0141 112.0449 -206129.6023 17755.3898 0.0000 0.0000 34207.7312 -149276.9128 298.7446 -183484.6440 -149181.2988 299.2613 -54.7950 -27.2046 557495.0096 -6.7119 -6.4078 PRESSURE: 4429200 -12.4722 49.9839 79.7696 49.9839 166.951 -65.2131 79.7689 -65.2129 88.4339 GPRESSURE: 4429200 12.7003 4.03229 131.509 120.84 200.21 -88.6376 100.479 -30.6263 116.827 PRESSAVG: 4429200 60.284 -22.2076 63.6326 -22.2077 29.2661 -81.1251 63.6327 -81.1251 -33.8622 GPRESSAVG: 4429200 60.459 -23.6074 63.5034 -21.7311 30.3206 -79.7224 64.5984 -81.1925 -35.0598 TIMING: 4429200 CPU: 12869.7, 0.00287946/step Wall: 12869.7, 0.00287946/step, 0.456555 hours remaining, 207.046875 MB of memory in use. ENERGY: 4429200 763.5176 2098.5038 1930.9758 114.4463 -206560.9872 18146.8308 0.0000 0.0000 34307.7706 -149198.9424 299.6183 -183506.7130 -149103.0706 298.6450 80.9710 109.9123 557348.1601 18.5626 18.5733 PRESSURE: 4429400 432.733 -9.90158 56.6661 -9.90239 320.45 70.2836 56.6673 70.2817 97.3217 GPRESSURE: 4429400 484.45 23.934 -17.7568 -20.6065 377.101 84.9945 56.3625 14.0335 88.8956 PRESSAVG: 4429400 -18.5398 28.1609 4.76771 28.1609 28.5103 -22.3423 4.76769 -22.3423 -7.14899 GPRESSAVG: 4429400 -18.587 29.2586 4.67876 29.7105 28.5954 -24.2579 3.07628 -21.5685 -6.60363 TIMING: 4429400 CPU: 12870.2, 0.00289071/step Wall: 12870.2, 0.00289071/step, 0.458178 hours remaining, 207.046875 MB of memory in use. ENERGY: 4429400 689.9159 2048.9733 1974.4273 118.0141 -206374.5339 18162.1212 0.0000 0.0000 34234.3633 -149146.7187 298.9772 -183381.0820 -149049.1161 299.4994 283.5017 316.8157 557655.5308 0.9405 1.1349 PRESSURE: 4429600 -198.081 -83.1924 -34.7187 -83.1919 -107.974 8.58151 -34.7175 8.58181 246.557 GPRESSURE: 4429600 -134.6 -110.406 44.7743 -51.407 -64.6975 -48.1383 -104.901 -26.1693 240.483 PRESSAVG: 4429600 -7.10247 -12.8367 21.8764 -12.8368 19.2722 -32.8581 21.8764 -32.8582 -12.6184 GPRESSAVG: 4429600 -6.58841 -13.7661 20.8699 -13.9677 18.743 -32.5924 22.8473 -33.9218 -13.3631 TIMING: 4429600 CPU: 12870.8, 0.00288614/step Wall: 12870.8, 0.00288614/step, 0.457293 hours remaining, 207.046875 MB of memory in use. ENERGY: 4429600 726.3573 2072.7003 1933.1251 111.6390 -205972.9913 17749.5427 0.0000 0.0000 34393.9008 -148985.7262 300.3705 -183379.6269 -148896.7936 299.3737 -19.8327 13.7286 558275.3774 -0.1495 -0.4028 PRESSURE: 4429800 -8.5862 41.1394 -56.0621 41.1396 -296.291 -113.7 -56.0622 -113.699 -88.5831 GPRESSURE: 4429800 -5.18312 13.5664 -15.2545 133.86 -219.167 -134.189 -165.643 -187.032 -51.9152 PRESSAVG: 4429800 58.5635 -49.9003 43.8063 -49.9003 -29.7519 -13.8759 43.8063 -13.8758 -13.299 GPRESSAVG: 4429800 57.3557 -50.2436 44.2378 -49.2972 -28.8958 -13.0825 42.8613 -14.1755 -12.9528 TIMING: 4429800 CPU: 12871.4, 0.0029016/step Wall: 12871.4, 0.0029016/step, 0.459581 hours remaining, 207.046875 MB of memory in use. ENERGY: 4429800 740.8493 2124.3330 1965.0584 118.2463 -205563.1626 17557.3049 0.0000 0.0000 34137.0914 -148920.2793 298.1277 -183057.3707 -148822.7701 299.3891 -131.1534 -92.0885 558983.0123 5.1709 5.1691 PRESSURE: 4430000 108.295 -41.3504 -39.0351 -41.3499 -38.8216 -222.322 -39.0348 -222.321 10.834 GPRESSURE: 4430000 208.956 -88.054 -6.52739 -57.945 -29.5312 -123.959 -35.3847 -243.67 -4.93784 PRESSAVG: 4430000 -6.60919 -28.0018 12.5219 -28.0018 32.4081 -68.1859 12.5219 -68.1859 6.44794 GPRESSAVG: 4430000 -6.33566 -27.1481 13.0271 -28.0393 31.1064 -66.988 13.0773 -67.4496 7.30722 TIMING: 4430000 CPU: 12872, 0.00289292/step Wall: 12872, 0.00289292/step, 0.458045 hours remaining, 207.046875 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: 4430000 718.0003 2107.2564 1936.0128 102.2860 -206049.4587 17830.5538 0.0000 0.0000 34439.6041 -148915.7453 300.7696 -183355.3493 -148822.0993 299.7576 26.7693 58.1622 558112.6342 10.7490 10.6926 PRESSURE: 4430200 -54.1473 -131.014 45.6301 -131.015 -13.4991 8.62284 45.6295 8.62338 115.033 GPRESSURE: 4430200 -17.5599 -99.5338 -14.3506 -123.352 37.196 22.1898 53.1374 45.916 130.161 PRESSAVG: 4430200 -14.3135 -19.5386 7.19193 -19.5386 42.7722 19.1779 7.19191 19.178 -44.329 GPRESSAVG: 4430200 -15.0997 -20.2319 5.80379 -22.2199 43.6513 20.1203 8.80278 17.9666 -44.7324 TIMING: 4430200 CPU: 12872.6, 0.00289677/step Wall: 12872.6, 0.00289677/step, 0.458495 hours remaining, 207.046875 MB of memory in use. ENERGY: 4430200 742.6139 2126.7810 1942.1167 122.4668 -206132.3860 17852.0456 0.0000 0.0000 34487.9226 -148858.4394 301.1916 -183346.3620 -148761.6339 299.7052 15.7956 49.9323 557872.8193 -5.2901 -5.3936 PRESSURE: 4430400 6.83986 -102.12 2.40197 -102.119 393.804 46.3806 2.4029 46.3793 -58.6067 GPRESSURE: 4430400 29.8888 -117.816 49.9922 0.374553 396.153 -14.4471 -94.0911 70.8561 2.40999 PRESSAVG: 4430400 -18.0401 0.479836 58.7704 0.479796 27.6751 8.76838 58.7704 8.76847 -39.4673 GPRESSAVG: 4430400 -17.7861 -0.285906 59.7415 2.54945 27.7963 7.34503 57.5166 10.886 -39.5891 TIMING: 4430400 CPU: 12873.1, 0.00290986/step Wall: 12873.1, 0.00290986/step, 0.460404 hours remaining, 207.046875 MB of memory in use. ENERGY: 4430400 732.3224 2044.2931 1943.5791 113.7239 -205993.0359 18023.5992 0.0000 0.0000 34417.7442 -148717.7739 300.5787 -183135.5181 -148622.6466 300.0219 114.0125 142.8172 558398.4198 -9.9441 -9.8596 PRESSURE: 4430600 -156.725 -245.742 76.6871 -245.742 -78.3963 80.7458 76.6868 80.7476 82.8312 GPRESSURE: 4430600 -83.7921 -243.871 39.926 -195.204 -65.6831 68.8814 53.5891 31.9852 110.062 PRESSAVG: 4430600 -63.7311 -33.8922 5.50605 -33.8922 -41.8674 -3.19626 5.50611 -3.1964 70.3773 GPRESSAVG: 4430600 -62.2218 -32.7049 6.11921 -33.2953 -40.8057 -3.05246 5.29557 -6.18938 68.6598 TIMING: 4430600 CPU: 12873.7, 0.00288215/step Wall: 12873.7, 0.00288215/step, 0.45586 hours remaining, 207.046875 MB of memory in use. ENERGY: 4430600 753.5487 2048.3473 1986.8103 131.5856 -205807.8126 17682.3503 0.0000 0.0000 34404.7563 -148800.4141 300.4653 -183205.1704 -148704.8332 300.6132 -50.7633 -13.1376 558865.1225 -11.7404 -11.4559 PRESSURE: 4430800 -139.813 71.4385 169.181 71.438 -77.8841 -8.44881 169.18 -8.44853 -99.1271 GPRESSURE: 4430800 -76.6302 100.16 254.215 54.1253 -22.7059 -22.2275 133.313 85.9822 -105.595 PRESSAVG: 4430800 5.5585 -1.10108 -11.6204 -1.10096 -4.27603 -3.97583 -11.6204 -3.97589 18.7392 GPRESSAVG: 4430800 5.39485 -0.933228 -12.9489 -3.44763 -5.44251 -3.46672 -9.98299 -1.72039 20.077 TIMING: 4430800 CPU: 12874.3, 0.00288741/step Wall: 12874.3, 0.00288741/step, 0.456532 hours remaining, 207.046875 MB of memory in use. ENERGY: 4430800 756.3763 2023.0152 1950.3607 110.2157 -205986.2926 17877.7541 0.0000 0.0000 34295.6959 -148972.8746 299.5128 -183268.5706 -148869.9784 300.0290 -105.6080 -68.3103 557431.8290 6.6739 6.6765 PRESSURE: 4431000 -231.882 62.4588 43.2938 62.4578 52.8296 -21.3628 43.2937 -21.3639 64.6087 GPRESSURE: 4431000 -133.567 55.0357 94.1841 60.9429 57.6056 -73.1578 34.2197 -18.0134 63.1975 PRESSAVG: 4431000 -9.77239 32.93 -1.30197 32.93 65.8661 19.9893 -1.30198 19.9892 -49.8736 GPRESSAVG: 4431000 -10.2864 31.2668 -2.21635 33.0221 65.8324 19.0059 -2.31825 21.0885 -49.4897 TIMING: 4431000 CPU: 12874.9, 0.00288973/step Wall: 12874.9, 0.00288973/step, 0.456738 hours remaining, 207.046875 MB of memory in use. ENERGY: 4431000 744.0841 2085.6942 1967.7718 115.5399 -205910.2808 17752.3351 0.0000 0.0000 34285.8177 -148959.0380 299.4266 -183244.8557 -148860.9814 300.1197 -38.1479 -4.2545 558065.7678 2.0734 2.0188 PRESSURE: 4431200 -129.25 -31.1618 37.5992 -31.1614 -262.675 -2.53257 37.6 -2.53373 -150.821 GPRESSURE: 4431200 -113.115 -72.215 11.7346 -21.1516 -203.851 77.3203 77.2094 -118.204 -125.287 PRESSAVG: 4431200 -39.6043 17.2187 -34.9478 17.2187 29.758 -66.6679 -34.9479 -66.668 -24.3504 GPRESSAVG: 4431200 -39.5092 15.9893 -33.9478 19.4481 30.7469 -66.1868 -35.1144 -67.9283 -25.1252 TIMING: 4431200 CPU: 12875.4, 0.00289646/step Wall: 12875.4, 0.00289646/step, 0.457641 hours remaining, 207.046875 MB of memory in use. ENERGY: 4431200 749.4236 2057.3290 1946.8601 107.8842 -205559.3793 17438.4083 0.0000 0.0000 34382.6031 -148876.8711 300.2718 -183259.4742 -148782.5294 299.8246 -180.9153 -147.4177 557653.6645 -11.3989 -11.2958 PRESSURE: 4431400 -136.215 246.867 -53.4339 246.868 377.428 66.6412 -53.4343 66.641 -160.105 GPRESSURE: 4431400 -71.5598 234.303 -17.9432 223.026 358.672 100.056 -84.1587 16.2285 -107.176 PRESSAVG: 4431400 6.23625 18.4145 3.4957 18.4144 -14.4189 -7.72443 3.49564 -7.7245 5.27092 GPRESSAVG: 4431400 6.16748 19.4919 4.86295 17.1409 -15.9387 -6.29992 3.87986 -7.74364 6.77057 TIMING: 4431400 CPU: 12876, 0.0029016/step Wall: 12876, 0.0029016/step, 0.458292 hours remaining, 207.046875 MB of memory in use. ENERGY: 4431400 733.0968 2112.9129 1964.7902 125.7344 -205676.2947 17605.6200 0.0000 0.0000 34306.6941 -148827.4465 299.6089 -183134.1405 -148734.8845 300.0337 27.0358 59.9787 555707.0483 -0.9706 -1.0002 PRESSURE: 4431600 -141.92 -79.1258 25.2645 -79.1253 98.1947 182.478 25.2642 182.478 -26.4775 GPRESSURE: 4431600 -138.787 -28.4905 48.7448 -50.6308 169.483 186.553 -0.072064 225.529 -10.7951 PRESSAVG: 4431600 -12.1714 40.217 -22.2993 40.2171 29.5778 64.7788 -22.2993 64.7788 32.9477 GPRESSAVG: 4431600 -11.9658 40.3767 -23.4291 40.1882 30.5888 62.3759 -21.648 64.8095 31.54 TIMING: 4431600 CPU: 12876.6, 0.00290184/step Wall: 12876.6, 0.00290184/step, 0.458168 hours remaining, 207.046875 MB of memory in use. ENERGY: 4431600 740.8676 2062.8325 1952.9482 111.9219 -205729.7508 17624.2939 0.0000 0.0000 34277.2491 -148959.6376 299.3517 -183236.8867 -148867.2511 300.0563 -23.4011 6.6337 554918.2339 16.7847 16.7210 PRESSURE: 4431800 41.2996 124.05 39.1625 124.049 -76.6285 -17.028 39.1622 -17.0279 -167.487 GPRESSURE: 4431800 59.5469 259.254 -34.2851 21.9608 -49.7135 -65.7781 10.6378 55.3472 -109.117 PRESSAVG: 4431800 6.33852 2.29282 -18.2915 2.29272 6.70667 32.7126 -18.2914 32.7127 17.1295 GPRESSAVG: 4431800 5.79947 5.27714 -18.1774 0.828313 6.19949 31.9472 -18.4321 33.3239 18.2363 TIMING: 4431800 CPU: 12877.2, 0.00287475/step Wall: 12877.2, 0.00287475/step, 0.453731 hours remaining, 207.046875 MB of memory in use. ENERGY: 4431800 748.1911 2078.1347 1943.7080 108.2991 -205932.7205 17737.9867 0.0000 0.0000 34332.8507 -148983.5501 299.8373 -183316.4009 -148886.7385 300.3401 -67.6053 -33.0946 557877.2109 10.0582 10.0784 PRESSURE: 4432000 186.876 107.032 59.5292 107.032 -271.666 -195.544 59.5279 -195.545 336.935 GPRESSURE: 4432000 224.39 68.205 28.4209 211.218 -185.207 -107.233 60.9477 -242.422 320.008 PRESSAVG: 4432000 -42.9788 22.6444 -35.1507 22.6444 33.2806 16.08 -35.1507 16.0801 -20.8864 GPRESSAVG: 4432000 -42.7753 20.3944 -32.8288 25.452 33.8741 18.6746 -35.7989 14.2864 -21.7151 TIMING: 4432000 CPU: 12877.8, 0.00288128/step Wall: 12877.8, 0.00288128/step, 0.454602 hours remaining, 207.046875 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: 4432000 771.5653 2030.8152 1952.5661 107.7341 -206282.5190 18012.8451 0.0000 0.0000 34365.8407 -149041.1526 300.1254 -183406.9933 -148951.6538 299.9549 84.0483 119.7304 556540.7695 -10.1948 -10.2054 PRESSURE: 4432200 -29.3549 -22.8683 -35.8331 -22.8691 -60.2345 95.5105 -35.8329 95.5108 -74.8597 GPRESSURE: 4432200 24.1729 6.34217 17.3856 -14.2694 1.85153 83.8476 -62.6627 95.3239 -87.2544 PRESSAVG: 4432200 -47.6832 -10.7881 6.33655 -10.7882 7.03684 30.5737 6.33654 30.5737 8.6947 GPRESSAVG: 4432200 -47.4885 -10.7586 5.2575 -11.9338 6.65002 30.0903 7.26554 31.6884 9.42856 TIMING: 4432200 CPU: 12878.3, 0.00289458/step Wall: 12878.3, 0.00289458/step, 0.456539 hours remaining, 207.046875 MB of memory in use. ENERGY: 4432200 721.2210 2009.9424 1978.1767 107.6637 -205852.8979 17643.3951 0.0000 0.0000 34403.4268 -148989.0722 300.4537 -183392.4990 -148885.5508 299.6786 -54.8164 -20.4100 556903.8678 -10.6506 -10.4700 LDB: ============= START OF LOAD BALANCING ============== 12881.8 LDB: ============== END OF LOAD BALANCING =============== 12881.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12881.8 LDB: ============= START OF LOAD BALANCING ============== 12882.1 LDB: Largest compute 4848 load 0.028317 is 24.0% of average load 0.117752 LDB: Average compute 0.001732 is 1.5% of average load 0.117752 LDB: TIME 12882.1 LOAD: AVG 0.117752 MAX 0.180495 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 12882.1 LOAD: AVG 0.117752 MAX 0.180495 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: TIME 12882.1 LOAD: AVG 0.117752 MAX 0.180495 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.621 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12882.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12882.1 PRESSURE: 4432400 -87.346 46.419 -21.5619 46.42 52.996 13.8318 -21.5616 13.8329 -55.4304 GPRESSURE: 4432400 -47.1971 102.872 -44.1432 -7.15327 114.341 26.1977 0.338267 -45.7134 -61.8765 PRESSAVG: 4432400 -10.1875 12.256 -19.8115 12.2561 57.9801 -41.3501 -19.8115 -41.3501 -4.81509 GPRESSAVG: 4432400 -9.5073 14.576 -21.3305 11.4385 57.0448 -43.5966 -19.871 -40.9435 -4.3185 TIMING: 4432400 CPU: 12878.9, 0.00296652/step Wall: 12878.9, 0.00296652/step, 0.467722 hours remaining, 208.019531 MB of memory in use. ENERGY: 4432400 745.4339 2154.0241 1956.4548 128.7017 -206368.5231 17850.9215 0.0000 0.0000 34437.1974 -149095.7897 300.7486 -183532.9871 -148999.0936 299.9847 -29.9268 1.7559 556422.7552 14.3258 14.4063 PRESSURE: 4432600 -72.2299 5.39356 156.803 5.39365 -173.647 -112.179 156.803 -112.179 -228.677 GPRESSURE: 4432600 -76.5909 -29.4245 190.917 96.3762 -105.233 -88.2 197.763 -69.814 -194.695 PRESSAVG: 4432600 61.5739 -55.9941 15.7051 -55.9942 -9.19756 -8.69855 15.705 -8.69854 -46.6571 GPRESSAVG: 4432600 60.3674 -58.871 15.0674 -55.1164 -8.27642 -6.42707 17.7176 -9.884 -46.7946 TIMING: 4432600 CPU: 12879.5, 0.00289692/step Wall: 12879.5, 0.00289692/step, 0.456587 hours remaining, 208.222656 MB of memory in use. ENERGY: 4432600 731.8710 2166.9651 1959.3162 109.7061 -206110.2673 17643.4281 0.0000 0.0000 34435.4266 -149063.5541 300.7331 -183498.9807 -148968.3097 300.4291 -158.1843 -125.5064 557629.2969 1.9064 1.7655 PRESSURE: 4432800 -75.2563 170.013 -102.62 170.015 -286.821 36.1222 -102.62 36.1215 -96.8949 GPRESSURE: 4432800 -53.2907 200.154 -159.273 103.428 -225.046 34.1078 -47.4463 111.822 -89.5361 PRESSAVG: 4432800 -5.90284 21.665 -13.4531 21.665 19.9737 -17.3805 -13.4531 -17.3804 -23.0119 GPRESSAVG: 4432800 -5.23187 23.2261 -12.6217 20.947 20.7039 -17.8259 -14.9427 -15.4615 -24.3169 TIMING: 4432800 CPU: 12880.1, 0.00289782/step Wall: 12880.1, 0.00289782/step, 0.456568 hours remaining, 208.222656 MB of memory in use. ENERGY: 4432800 803.8815 2104.1054 1970.9990 119.4646 -205640.7757 17336.7816 0.0000 0.0000 34256.7890 -149048.7546 299.1731 -183305.5436 -148953.7023 299.9365 -152.9907 -122.6241 556670.2400 -2.9803 -2.9483 PRESSURE: 4433000 13.2177 100.809 164.173 100.809 -218.212 49.5998 164.172 49.5996 -188.497 GPRESSURE: 4433000 32.5966 81.8652 57.56 165.66 -178.199 71.715 206.22 12.9037 -156.748 PRESSAVG: 4433000 -14.547 -23.0918 9.26553 -23.0918 19.9038 -16.7772 9.26549 -16.7772 21.3211 GPRESSAVG: 4433000 -13.9745 -21.9583 8.75671 -23.8094 19.8479 -16.9311 8.51165 -18.7528 20.6499 TIMING: 4433000 CPU: 12880.7, 0.00289647/step Wall: 12880.7, 0.00289647/step, 0.456194 hours remaining, 208.222656 MB of memory in use. ENERGY: 4433000 761.1421 2124.9360 1976.9559 112.9369 -206111.1981 17663.2370 0.0000 0.0000 34365.1122 -149106.8779 300.1191 -183471.9901 -149011.9948 300.0006 -131.1637 -100.7835 556081.4336 8.8926 8.8411 PRESSURE: 4433200 94.3748 1.0064 30.8366 1.00692 -153.305 -122.989 30.8375 -122.988 58.4215 GPRESSURE: 4433200 150.555 -39.2754 -57.2881 48.2381 -159.845 -69.3629 74.7837 -157.333 120.922 PRESSAVG: 4433200 -15.661 36.5664 42.5849 36.5665 -24.2509 -20.4302 42.5848 -20.43 52.5311 GPRESSAVG: 4433200 -16.5068 34.7454 42.8837 36.669 -24.4191 -20.0877 41.8538 -22.7741 53.4236 TIMING: 4433200 CPU: 12881.3, 0.00291445/step Wall: 12881.3, 0.00291445/step, 0.458864 hours remaining, 208.222656 MB of memory in use. ENERGY: 4433200 744.7015 2105.9015 1973.1692 116.8144 -206235.6189 17868.5276 0.0000 0.0000 34290.3857 -149136.1191 299.4665 -183426.5048 -149040.9710 299.6709 -0.1696 37.2107 557251.9484 4.2064 4.1659 PRESSURE: 4433400 169.085 55.7196 5.2784 55.7189 115.748 -130.144 5.27882 -130.146 247.165 GPRESSURE: 4433400 115.733 42.1748 32.5515 32.4244 191.199 -162.128 36.8296 -80.573 311.033 PRESSAVG: 4433400 13.5009 15.8793 -21.6534 15.8793 -23.2461 1.04786 -21.6535 1.04783 -1.52546 GPRESSAVG: 4433400 13.6978 17.2485 -22.3664 15.3328 -23.1759 -1.53146 -21.4245 4.59146 -1.54187 TIMING: 4433400 CPU: 12881.8, 0.00292002/step Wall: 12881.8, 0.00292002/step, 0.459579 hours remaining, 208.222656 MB of memory in use. ENERGY: 4433400 767.9415 2160.4176 1943.0248 113.7692 -206162.1060 17875.7683 0.0000 0.0000 34173.2889 -149127.8956 298.4438 -183301.1845 -149038.9255 299.7625 177.3326 205.9885 557224.1866 -3.7569 -3.6733 PRESSURE: 4433600 -62.8865 -239.808 60.6244 -239.808 -121.251 65.1053 60.624 65.1038 -68.6342 GPRESSURE: 4433600 -11.6618 -270.233 -2.01536 -188.13 -82.6354 90.7709 159.828 25.952 -59.4056 PRESSAVG: 4433600 6.2977 -14.6507 36.9638 -14.6507 -19.1113 21.6914 36.9638 21.6914 -41.1494 GPRESSAVG: 4433600 5.43832 -14.5535 37.6665 -14.0614 -19.0306 22.9944 35.6224 19.6332 -40.6533 TIMING: 4433600 CPU: 12882.4, 0.00292228/step Wall: 12882.4, 0.00292228/step, 0.459773 hours remaining, 208.222656 MB of memory in use. ENERGY: 4433600 760.7489 2099.8857 1952.8838 98.9721 -206188.8250 17696.2085 0.0000 0.0000 34304.3517 -149275.7744 299.5884 -183580.1261 -149182.2159 299.2650 -84.2572 -51.2343 558945.8414 -17.9877 -18.0818 PRESSURE: 4433800 -321.303 -168.153 6.32939 -168.153 142.844 -23.6113 6.33082 -23.6112 -48.6763 GPRESSURE: 4433800 -292.625 -177.002 29.86 -136.237 127.475 -3.5229 65.595 20.9085 32.9446 PRESSAVG: 4433800 -2.48902 -4.42621 9.59233 -4.42615 -16.2833 2.69105 9.59227 2.69116 4.8271 GPRESSAVG: 4433800 -3.0993 -4.71354 9.63572 -5.21626 -15.3669 1.56976 10.8957 4.14716 4.63558 TIMING: 4433800 CPU: 12883, 0.00291823/step Wall: 12883, 0.00291823/step, 0.458973 hours remaining, 208.222656 MB of memory in use. ENERGY: 4433800 816.2004 2135.9111 1954.9682 109.3151 -206423.3519 17958.1814 0.0000 0.0000 33944.2953 -149504.4804 296.4440 -183448.7757 -149418.0298 298.8346 -75.7115 -44.0687 558442.6387 -4.6484 -4.6102 PRESSURE: 4434000 156.563 -95.5123 -38.3515 -95.5128 187.167 97.2677 -38.3507 97.2683 17.3446 GPRESSURE: 4434000 138.489 -133.721 -41.475 -86.3711 203.243 70.8223 -7.68544 61.386 112.698 PRESSAVG: 4434000 41.6459 -10.9178 -43.6216 -10.9178 30.0581 5.37951 -43.6217 5.37958 -63.5981 GPRESSAVG: 4434000 41.7764 -11.8978 -43.3386 -9.14197 29.2057 7.51288 -42.9355 3.69958 -63.6058 TIMING: 4434000 CPU: 12883.6, 0.00290728/step Wall: 12883.6, 0.00290728/step, 0.457089 hours remaining, 208.222656 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: 4434000 738.3347 2134.8321 1970.1736 118.4822 -206558.0648 18006.4779 0.0000 0.0000 34183.2865 -149406.4778 298.5311 -183589.7643 -149313.7042 298.6981 120.3581 151.4770 558790.6365 2.7020 2.4588 PRESSURE: 4434200 71.5804 136.391 -10.1739 136.391 82.1157 -181.619 -10.1741 -181.621 -60.2002 GPRESSURE: 4434200 102.117 81.8633 -139.884 28.2506 82.1427 -115.847 48.6728 -115.577 -5.08969 PRESSAVG: 4434200 38.3706 -22.8721 -37.0453 -22.8721 -31.3314 -3.32112 -37.0452 -3.32105 -19.9592 GPRESSAVG: 4434200 38.4968 -24.4304 -39.8421 -23.4112 -31.4662 -2.67955 -35.3862 -2.31166 -20.1132 TIMING: 4434200 CPU: 12884.2, 0.00291074/step Wall: 12884.2, 0.00291074/step, 0.457471 hours remaining, 208.222656 MB of memory in use. ENERGY: 4434200 779.9068 2118.6578 1970.9153 112.2261 -206432.4669 17919.0136 0.0000 0.0000 34003.4691 -149528.2782 296.9608 -183531.7473 -149427.0468 299.4147 31.1653 59.7234 556197.7818 -4.3067 -4.3609 PRESSURE: 4434400 -37.8024 23.4916 -134.999 23.4911 -121.117 -77.7074 -134.998 -77.7074 -308.555 GPRESSURE: 4434400 -63.7333 94.7514 -91.597 -23.275 -112.61 -97.2199 -117.698 -140.235 -181.475 PRESSAVG: 4434400 34.0167 -13.5835 -8.72273 -13.5834 17.1925 -6.9178 -8.7228 -6.91781 8.06462 GPRESSAVG: 4434400 33.5742 -12.6958 -6.30898 -13.4686 17.3571 -8.73775 -11.2113 -4.20485 8.54749 TIMING: 4434400 CPU: 12884.7, 0.00289968/step Wall: 12884.7, 0.00289968/step, 0.455572 hours remaining, 208.222656 MB of memory in use. ENERGY: 4434400 704.1938 2120.4371 1952.5570 105.0193 -206140.2273 17488.9565 0.0000 0.0000 34336.3983 -149432.6654 299.8683 -183769.0637 -149335.6502 299.1754 -155.8248 -119.2727 556515.1059 19.7579 19.8263 PRESSURE: 4434600 -247.616 34.7 -106.168 34.7001 -124.82 155.391 -106.169 155.391 -97.1641 GPRESSURE: 4434600 -258.09 -47.2406 -134.719 75.0803 -15.8866 165.587 -119.981 116.598 -86.9581 PRESSAVG: 4434600 -30.8834 19.737 -49.3239 19.7369 23.441 -36.4362 -49.324 -36.4362 45.1316 GPRESSAVG: 4434600 -30.4909 20.0712 -50.8401 21.8106 22.3607 -35.3921 -49.1073 -39.9842 45.4256 TIMING: 4434600 CPU: 12885.3, 0.00290934/step Wall: 12885.3, 0.00290934/step, 0.456927 hours remaining, 208.222656 MB of memory in use. ENERGY: 4434600 786.3116 2068.3257 1949.0942 119.2362 -206339.6367 17759.4449 0.0000 0.0000 34226.6229 -149430.6012 298.9096 -183657.2241 -149331.4338 299.5185 -156.5332 -120.3117 555931.6443 12.5631 12.4318 PRESSURE: 4434800 36.0213 -110.963 70.7227 -110.963 -256.595 39.0168 70.7221 39.0167 -162.612 GPRESSURE: 4434800 101.695 -132.78 45.9985 6.18854 -235.995 -34.7137 118.314 101.477 -147.737 PRESSAVG: 4434800 27.5897 15.1551 28.4955 15.1552 -55.2634 19.4761 28.4955 19.4761 21.4482 GPRESSAVG: 4434800 29.33 16.1303 30.4293 13.5321 -54.4142 18.0601 27.7997 21.3314 19.2306 TIMING: 4434800 CPU: 12885.9, 0.00289165/step Wall: 12885.9, 0.00289165/step, 0.453988 hours remaining, 208.222656 MB of memory in use. ENERGY: 4434800 790.4068 2105.3801 1952.7359 110.8074 -206366.0679 17750.1692 0.0000 0.0000 34212.4263 -149444.1423 298.7856 -183656.5685 -149347.1257 299.6424 -127.7284 -94.0125 556480.2891 -2.0752 -1.9512 PRESSURE: 4435000 -30.4973 61.1024 23.1636 61.1028 92.9162 -113.763 23.1631 -113.76 18.3062 GPRESSURE: 4435000 -4.37081 63.6611 24.5059 44.1815 116.875 -154.722 -26.6762 -54.1727 56.8338 PRESSAVG: 4435000 22.7304 -38.6486 12.304 -38.6486 25.9491 10.3269 12.304 10.327 -10.3088 GPRESSAVG: 4435000 21.1209 -39.8224 11.3588 -37.986 25.4539 8.66759 13.1183 11.6791 -8.7688 TIMING: 4435000 CPU: 12886.5, 0.00290488/step Wall: 12886.5, 0.00290488/step, 0.455905 hours remaining, 208.222656 MB of memory in use. ENERGY: 4435000 758.8020 2095.7877 1947.2644 131.6070 -206371.4714 17982.6188 0.0000 0.0000 34062.6397 -149392.7519 297.4775 -183455.3915 -149289.5583 298.9098 26.9084 56.4461 557113.7643 12.7903 12.6020 PRESSURE: 4435200 -46.443 -40.4453 108.312 -40.4448 -262.496 -21.3501 108.312 -21.352 -244.881 GPRESSURE: 4435200 -35.7666 -78.7223 176.177 -3.17352 -194.573 55.0982 70.4021 -89.0089 -229.535 PRESSAVG: 4435200 20.1201 -13.6543 61.3296 -13.6544 75.9723 21.7699 61.3296 21.7699 -41.2902 GPRESSAVG: 4435200 21.1029 -13.3061 62.4743 -15.8743 75.4674 22.529 61.7013 19.7693 -41.673 TIMING: 4435200 CPU: 12887.1, 0.0028929/step Wall: 12887.1, 0.0028929/step, 0.453864 hours remaining, 208.222656 MB of memory in use. ENERGY: 4435200 748.5881 2049.5865 1948.9685 104.9479 -205918.4992 17599.1210 0.0000 0.0000 34054.4477 -149412.8395 297.4060 -183467.2872 -149320.1746 298.8763 -184.6068 -153.2915 557482.4345 18.2674 18.2991 PRESSURE: 4435400 -128.679 -187.901 107.888 -187.902 138.231 22.7742 107.888 22.7734 -185.838 GPRESSURE: 4435400 -70.6478 -212.648 95.9111 -138.044 196.195 -18.9332 73.0581 -7.02115 -212.634 PRESSAVG: 4435400 -45.0517 -24.8669 52.5342 -24.8668 17.2356 19.2999 52.5342 19.2999 39.6441 GPRESSAVG: 4435400 -45.0071 -24.048 53.076 -24.6556 17.6869 18.6539 49.532 19.1258 38.8934 TIMING: 4435400 CPU: 12887.7, 0.00291482/step Wall: 12887.7, 0.00291482/step, 0.457141 hours remaining, 208.222656 MB of memory in use. ENERGY: 4435400 744.1085 2133.4271 1978.9594 111.7357 -206303.3837 17711.5720 0.0000 0.0000 34117.2420 -149506.3391 297.9544 -183623.5811 -149407.2635 298.1933 -58.7620 -29.0292 554969.3766 3.9426 3.8578 PRESSURE: 4435600 -79.2405 -182.488 35.003 -182.488 8.64323 -56.3269 35.001 -56.3264 297.334 GPRESSURE: 4435600 -3.64172 -251.362 3.18636 -149.495 44.1611 -68.6511 24.6201 -93.6769 291.651 PRESSAVG: 4435600 -63.841 25.1089 69.9391 25.1089 -0.23769 -49.2335 69.9392 -49.2335 32.4657 GPRESSAVG: 4435600 -64.6023 24.6951 68.5893 25.5392 -0.162833 -46.5336 71.3801 -48.0699 33.6478 TIMING: 4435600 CPU: 12888.2, 0.00290152/step Wall: 12888.2, 0.00290152/step, 0.454894 hours remaining, 208.222656 MB of memory in use. ENERGY: 4435600 752.7755 2120.3365 1957.4217 119.5196 -206510.1633 17916.5981 0.0000 0.0000 34268.0032 -149375.5088 299.2710 -183643.5120 -149281.8293 297.9628 75.5791 110.7233 555340.8564 -10.5377 -10.3724 PRESSURE: 4435800 -113.592 48.4181 99.1073 48.4177 -262.768 20.2566 99.1074 20.2577 -101.101 GPRESSURE: 4435800 -40.2965 68.2997 80.2087 11.8432 -287.852 -19.5554 64.8022 69.9378 -51.8248 PRESSAVG: 4435800 5.90204 -64.9314 34.0107 -64.9313 -25.0687 -6.16733 34.0107 -6.16729 8.54722 GPRESSAVG: 4435800 7.35767 -67.3774 34.225 -63.1611 -25.5736 -7.0001 32.5926 -5.90821 8.80865 TIMING: 4435800 CPU: 12888.8, 0.00290447/step Wall: 12888.8, 0.00290447/step, 0.455195 hours remaining, 208.222656 MB of memory in use. ENERGY: 4435800 787.7142 2102.8213 1959.8891 122.1668 -206144.5198 17557.4414 0.0000 0.0000 34280.8703 -149333.6167 299.3834 -183614.4870 -149232.0540 299.0909 -159.1540 -126.6578 557433.7681 -3.5398 -3.1358 PRESSURE: 4436000 -53.8882 75.9471 54.7319 75.9494 -41.299 -59.8945 54.7314 -59.8952 -200.479 GPRESSURE: 4436000 -11.6126 156.808 5.908 25.3225 -23.1873 -51.1736 108.748 -81.3207 -181.218 PRESSAVG: 4436000 21.8963 -17.3772 12.552 -17.3772 40.8031 -52.1436 12.5519 -52.1436 -18.446 GPRESSAVG: 4436000 21.2074 -13.4359 14.3662 -20.4211 41.437 -51.3725 13.282 -52.6319 -18.0122 TIMING: 4436000 CPU: 12889.4, 0.00289748/step Wall: 12889.4, 0.00289748/step, 0.453938 hours remaining, 208.222656 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: 4436000 747.0587 2050.3359 1990.0626 115.2687 -205800.7340 17426.0092 0.0000 0.0000 34186.3852 -149285.6136 298.5582 -183471.9989 -149185.9660 298.8589 -98.5554 -72.0058 557233.7173 14.7511 14.8774 PRESSURE: 4436200 -41.3189 93.2907 -97.14 93.2919 -3.02071 -80.8097 -97.1399 -80.8106 202.632 GPRESSURE: 4436200 -35.9273 47.8996 -80.65 129.795 108.77 -171.319 -125.131 -104.126 192.612 PRESSAVG: 4436200 25.6086 26.5804 -37.146 26.5804 -24.5924 -50.0179 -37.146 -50.0179 -12.9429 GPRESSAVG: 4436200 26.6279 23.724 -40.3435 29.006 -24.2508 -53.1645 -33.441 -48.1455 -14.3656 TIMING: 4436200 CPU: 12890, 0.00290854/step Wall: 12890, 0.00290854/step, 0.45551 hours remaining, 208.222656 MB of memory in use. ENERGY: 4436200 755.6501 2132.1910 1971.2855 118.0908 -206461.2478 18006.8626 0.0000 0.0000 34107.3771 -149369.7907 297.8682 -183477.1678 -149277.7006 299.3066 52.7640 88.4848 557173.6730 -3.9756 -3.9962 LDB: ============= START OF LOAD BALANCING ============== 12893.4 LDB: ============== END OF LOAD BALANCING =============== 12893.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12893.4 LDB: ============= START OF LOAD BALANCING ============== 12893.7 LDB: Largest compute 4848 load 0.028105 is 23.9% of average load 0.117747 LDB: Average compute 0.001732 is 1.5% of average load 0.117747 LDB: TIME 12893.7 LOAD: AVG 0.117747 MAX 0.178871 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 12893.7 LOAD: AVG 0.117747 MAX 0.178871 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: TIME 12893.7 LOAD: AVG 0.117747 MAX 0.178871 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: ============== END OF LOAD BALANCING =============== 12893.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12893.7 PRESSURE: 4436400 -205.789 -136.502 -142.317 -136.502 -20.8821 -163.373 -142.317 -163.373 202.095 GPRESSURE: 4436400 -168.692 -141.23 -124.959 -135.448 11.2335 -172.701 -188.493 -118.095 237.703 PRESSAVG: 4436400 -33.5649 -29.8601 -41.5572 -29.8601 -16.2358 -10.5254 -41.5572 -10.5255 34.9483 GPRESSAVG: 4436400 -34.5964 -29.9934 -39.4252 -32.5868 -15.5006 -9.30437 -43.0695 -11.7946 35.2402 TIMING: 4436400 CPU: 12890.6, 0.00295925/step Wall: 12890.6, 0.00295926/step, 0.463288 hours remaining, 209.085938 MB of memory in use. ENERGY: 4436400 719.1210 2126.8439 1975.2475 111.5663 -206047.8958 17721.7667 0.0000 0.0000 34113.8383 -149279.5121 297.9246 -183393.3503 -149181.4434 298.7024 -8.1917 26.7482 557834.7872 -4.9508 -4.9523 PRESSURE: 4436600 -57.6299 9.18636 181.649 9.18616 -28.0619 9.80479 181.648 9.80477 94.2532 GPRESSURE: 4436600 -2.13426 40.218 141.333 49.4361 -24.5289 52.2808 176.19 -64.9919 148.446 PRESSAVG: 4436600 -20.8597 -23.268 -36.7954 -23.2681 10.1417 27.3294 -36.7954 27.3295 40.5472 GPRESSAVG: 4436600 -20.3619 -21.6408 -36.806 -23.2679 9.8653 28.1714 -36.4524 27.1606 41.1128 TIMING: 4436600 CPU: 12891.1, 0.00290839/step Wall: 12891.1, 0.00290839/step, 0.455162 hours remaining, 209.156250 MB of memory in use. ENERGY: 4436600 742.1660 2150.5859 1955.5822 108.8918 -206298.4812 17879.6160 0.0000 0.0000 34093.1157 -149368.5236 297.7437 -183461.6393 -149270.0188 298.8054 2.8538 40.5943 558067.7113 9.9431 10.2054 PRESSURE: 4436800 -158.419 -150.101 149.388 -150.1 -247.89 89.0404 149.389 89.0413 -259.927 GPRESSURE: 4436800 -68.5457 -62.7251 39.5967 -136.288 -217.85 -40.4657 145.225 131.327 -286.844 PRESSAVG: 4436800 -51.1702 -1.42313 39.5272 -1.42313 17.8101 22.3955 39.527 22.3954 -20.1242 GPRESSAVG: 4436800 -51.1075 -3.28168 37.9976 -0.0657005 17.0667 22.2668 38.0658 22.0395 -19.2191 TIMING: 4436800 CPU: 12891.7, 0.00292139/step Wall: 12891.7, 0.00292139/step, 0.457035 hours remaining, 209.230469 MB of memory in use. ENERGY: 4436800 773.8408 2119.3504 1945.8028 105.5027 -205944.2936 17440.5014 0.0000 0.0000 34062.7813 -149496.5142 297.4787 -183559.2954 -149400.1080 298.6700 -222.0787 -191.0800 556216.0362 -17.8281 -17.7533 PRESSURE: 4437000 14.4073 57.8507 159.117 57.8507 119.897 -149.65 159.116 -149.648 -36.9287 GPRESSURE: 4437000 81.7775 0.0522896 154.027 111.817 123.759 -162.763 159.425 -165.169 -14.0257 PRESSAVG: 4437000 -22.3796 47.4782 29.4801 47.4782 34.8399 19.227 29.4802 19.2269 15.5445 GPRESSAVG: 4437000 -22.9919 48.0501 30.2448 47.0574 35.2209 21.68 31.2834 18.5943 15.3968 TIMING: 4437000 CPU: 12892.3, 0.00291063/step Wall: 12892.3, 0.00291063/step, 0.45519 hours remaining, 209.230469 MB of memory in use. ENERGY: 4437000 756.9198 2070.1220 1958.4928 124.4588 -206460.5623 17889.1615 0.0000 0.0000 34250.8520 -149410.5554 299.1212 -183661.4074 -149307.9462 298.3600 32.4585 63.8369 556189.6233 9.3349 9.2086 PRESSURE: 4437200 12.4986 20.5453 158.089 20.5459 507.082 -2.02278 158.089 -2.02176 36.8453 GPRESSURE: 4437200 80.948 23.8244 153.195 -16.7751 517.428 -77.0353 20.8998 1.47848 56.6308 PRESSAVG: 4437200 -74.3169 46.5369 -3.17065 46.537 48.6746 -0.184157 -3.17065 -0.184108 11.9882 GPRESSAVG: 4437200 -74.4392 47.4318 -3.97437 46.6818 47.6951 0.15893 -3.68805 -0.365127 13.0812 TIMING: 4437200 CPU: 12892.9, 0.00289889/step Wall: 12892.9, 0.00289889/step, 0.453194 hours remaining, 209.230469 MB of memory in use. ENERGY: 4437200 725.2760 2099.8582 1945.4150 121.4446 -206607.7984 18060.8263 0.0000 0.0000 34138.4871 -149516.4913 298.1399 -183654.9784 -149410.0028 299.2501 185.4753 218.3357 554954.2051 -4.5514 -4.5543 PRESSURE: 4437400 -120.025 30.2228 35.9682 30.2231 -166.428 -1.46554 35.9678 -1.46764 -188.335 GPRESSURE: 4437400 -111.674 8.60226 -24.1228 -38.9306 -107.509 -13.2038 85.9197 -26.5836 -162.425 PRESSAVG: 4437400 -7.47715 44.5591 48.7794 44.5591 52.7351 9.59397 48.7795 9.59395 8.18214 GPRESSAVG: 4437400 -7.45599 45.3508 48.804 43.5046 53.2534 7.73522 49.795 10.3014 7.3004 TIMING: 4437400 CPU: 12893.5, 0.00289671/step Wall: 12893.5, 0.00289671/step, 0.452692 hours remaining, 209.230469 MB of memory in use. ENERGY: 4437400 746.7139 2106.5664 1954.7905 110.7581 -206375.6442 17655.4435 0.0000 0.0000 34181.3357 -149620.0362 298.5141 -183801.3719 -149525.6994 298.4874 -158.2628 -127.2027 556721.7910 17.8134 17.6993 PRESSURE: 4437600 149.685 -35.5951 -64.0022 -35.5951 50.7224 -128.978 -64.0034 -128.978 110.256 GPRESSURE: 4437600 194.894 10.9287 -21.3955 -80.3442 77.807 -97.616 -162.231 -145.122 135.842 PRESSAVG: 4437600 17.9958 47.5434 -48.7224 47.5433 -24.2771 27.2246 -48.7224 27.2247 -6.14097 GPRESSAVG: 4437600 17.9141 46.891 -49.1277 48.4942 -23.072 28.3708 -50.5796 27.8214 -7.63197 TIMING: 4437600 CPU: 12894.1, 0.00289932/step Wall: 12894.1, 0.00289932/step, 0.452939 hours remaining, 209.230469 MB of memory in use. ENERGY: 4437600 722.2982 2156.4116 1942.2707 97.8229 -206701.7854 17948.3154 0.0000 0.0000 34236.6707 -149597.9959 298.9974 -183834.6666 -149503.8253 298.3349 103.5547 136.1812 553317.0759 -4.1408 -4.2633 PRESSURE: 4437800 -351.179 -5.36667 86.8432 -5.36588 -129.882 127.93 86.8421 127.929 -194.56 GPRESSURE: 4437800 -306.177 -42.9292 72.3229 51.3416 -126.244 80.6772 24.2589 115.867 -146.418 PRESSAVG: 4437800 13.9943 -11.568 36.4135 -11.568 -48.3792 43.3506 36.4135 43.3506 12.5117 GPRESSAVG: 4437800 13.797 -11.1171 38.7584 -10.9051 -48.9792 40.6908 35.1033 44.2564 12.8653 TIMING: 4437800 CPU: 12894.6, 0.0029119/step Wall: 12894.6, 0.0029119/step, 0.454742 hours remaining, 209.230469 MB of memory in use. ENERGY: 4437800 718.3259 2102.9932 1933.5258 104.6486 -206037.9522 17412.1125 0.0000 0.0000 34233.1656 -149533.1806 298.9667 -183766.3462 -149436.7598 298.4825 -225.2069 -192.9465 556344.6354 -7.2911 -7.4389 PRESSURE: 4438000 47.5162 202.085 -18.1708 202.084 -295.893 61.1141 -18.171 61.1129 19.1303 GPRESSURE: 4438000 79.5149 147.03 69.7881 200.234 -263.014 52.0689 62.3728 -5.76179 59.2071 PRESSAVG: 4438000 13.7794 -12.4812 -2.54462 -12.4813 -11.9493 -0.125895 -2.54465 -0.125865 -0.319711 GPRESSAVG: 4438000 13.2104 -13.5628 -6.31866 -14.4323 -12.8898 -0.809375 -0.535381 0.707055 0.708115 TIMING: 4438000 CPU: 12895.2, 0.00288156/step Wall: 12895.2, 0.00288156/step, 0.449843 hours remaining, 209.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4438000 735.6520 2083.1801 1968.7673 109.4715 -206281.1908 17618.8926 0.0000 0.0000 34302.4520 -149462.7752 299.5718 -183765.2272 -149370.4300 298.9475 -76.4154 -41.4308 555259.8541 0.5035 0.3429 PRESSURE: 4438200 84.4832 -72.6356 161.817 -72.6356 89.4577 92.9826 161.817 92.9822 -123.642 GPRESSURE: 4438200 108.009 -45.087 154.581 19.721 91.6734 123.282 138.058 67.9172 -60.1261 PRESSAVG: 4438200 78.8181 -26.4894 10.7856 -26.4895 -63.2625 112.376 10.7856 112.376 -26.7146 GPRESSAVG: 4438200 80.0145 -26.1399 13.5436 -23.5791 -64.1552 114.477 10.226 110.926 -27.4146 TIMING: 4438200 CPU: 12895.8, 0.00289788/step Wall: 12895.8, 0.00289788/step, 0.45223 hours remaining, 209.230469 MB of memory in use. ENERGY: 4438200 763.9771 2129.4372 1939.9279 113.5668 -206473.4519 17686.1665 0.0000 0.0000 34179.9945 -149660.3818 298.5024 -183840.3763 -149568.4562 298.4304 16.7663 46.5189 553822.6040 -3.7197 -3.8518 PRESSURE: 4438400 -3.96417 185.787 2.91146 185.787 26.6368 128.569 2.91082 128.57 396.777 GPRESSURE: 4438400 14.1918 107.034 -67.5091 94.7698 138.1 144.07 50.7789 162.003 367.759 PRESSAVG: 4438400 -2.61826 61.1743 65.7756 61.1743 16.5542 47.0042 65.7757 47.004 -39.9889 GPRESSAVG: 4438400 -3.69306 60.7118 64.5445 58.1073 19.1484 47.6493 63.8869 48.1676 -40.6747 TIMING: 4438400 CPU: 12896.4, 0.00289166/step Wall: 12896.4, 0.00289166/step, 0.451099 hours remaining, 209.230469 MB of memory in use. ENERGY: 4438400 744.1977 2134.1069 1940.8798 114.1095 -206679.1395 17869.0972 0.0000 0.0000 34217.0540 -149659.6945 298.8260 -183876.7485 -149573.2756 298.1152 139.8166 173.3503 553892.4713 -8.6843 -8.4065 PRESSURE: 4438600 -75.8988 58.4512 -42.3187 58.4511 -44.604 185.158 -42.3192 185.157 -107.25 GPRESSURE: 4438600 -36.1394 67.7239 -124.081 8.77333 -9.45995 167.395 -27.5051 175.992 -89.3221 PRESSAVG: 4438600 63.6598 50.8662 -55.9533 50.8662 -8.3714 40.7481 -55.9532 40.7482 4.41938 GPRESSAVG: 4438600 64.2123 51.3913 -54.0381 51.9443 -8.49299 39.93 -56.0122 40.3385 4.31916 TIMING: 4438600 CPU: 12896.9, 0.00289466/step Wall: 12896.9, 0.00289466/step, 0.451406 hours remaining, 209.230469 MB of memory in use. ENERGY: 4438600 743.0033 2120.6980 1958.1037 112.5437 -206210.2898 17576.9160 0.0000 0.0000 34182.7068 -149516.3181 298.5261 -183699.0249 -149418.2371 299.0152 -75.9176 -44.9738 555824.5069 19.9026 20.0128 PRESSURE: 4438800 274.276 116.221 -48.8368 116.22 363.122 55.9157 -48.8361 55.9152 59.4519 GPRESSURE: 4438800 326.203 81.685 21.3165 135.372 349.144 85.3387 -32.8352 59.3287 106.522 PRESSAVG: 4438800 -11.5079 13.5267 -46.2313 13.5268 11.9736 5.64569 -46.2313 5.64558 -17.3937 GPRESSAVG: 4438800 -11.7581 14.0941 -48.751 12.0042 11.5603 5.15836 -45.1893 5.5549 -16.9736 TIMING: 4438800 CPU: 12897.5, 0.00291616/step Wall: 12897.5, 0.00291616/step, 0.454598 hours remaining, 209.230469 MB of memory in use. ENERGY: 4438800 717.8382 2084.0423 1943.3526 113.0638 -206815.9075 18197.0903 0.0000 0.0000 34217.3793 -149543.1410 298.8289 -183760.5203 -149444.2924 298.7562 232.2832 260.6232 555713.6124 -5.6427 -5.7238 PRESSURE: 4439000 130.032 59.6514 -80.4235 59.6515 -192.501 88.6 -80.4233 88.5989 -342.637 GPRESSURE: 4439000 155.91 17.0185 -161.795 64.1405 -129.677 76.7337 -1.89259 1.59184 -314.309 PRESSAVG: 4439000 83.8496 1.24854 61.5277 1.24856 -84.2875 -8.07192 61.5276 -8.07197 -83.9884 GPRESSAVG: 4439000 84.5561 0.201424 62.7833 2.66081 -85.5147 -5.97798 61.7553 -9.62099 -83.1938 TIMING: 4439000 CPU: 12898.1, 0.00290143/step Wall: 12898.1, 0.00290143/step, 0.45214 hours remaining, 209.230469 MB of memory in use. ENERGY: 4439000 739.0391 2134.3734 1930.4336 102.5293 -206558.0742 17955.7209 0.0000 0.0000 34106.4902 -149589.4877 297.8605 -183695.9779 -149486.1588 298.5030 -135.0355 -96.0257 558061.7815 -28.1421 -28.0508 PRESSURE: 4439200 103.143 94.3376 -166.674 94.3389 47.4623 19.0838 -166.672 19.0851 -154.824 GPRESSURE: 4439200 144.148 133.264 -178.296 104.176 44.4778 -34.4793 -130.922 -21.7855 -91.0845 PRESSAVG: 4439200 82.5076 -8.13415 -60.867 -8.13418 -20.4473 74.764 -60.867 74.7641 -67.1753 GPRESSAVG: 4439200 82.6941 -7.70303 -62.1502 -8.0245 -20.0931 72.4888 -60.1721 75.9485 -67.2874 TIMING: 4439200 CPU: 12898.7, 0.00290501/step Wall: 12898.7, 0.00290501/step, 0.452537 hours remaining, 209.230469 MB of memory in use. ENERGY: 4439200 742.7862 2065.1886 1938.3937 116.6735 -206252.4259 17686.9092 0.0000 0.0000 34304.5007 -149397.9739 299.5897 -183702.4746 -149303.2555 298.2037 -1.4059 32.5136 556575.4000 -1.7050 -1.5621 PRESSURE: 4439400 63.3154 126.192 -48.2074 126.193 169.059 -21.3533 -48.207 -21.3532 85.1323 GPRESSURE: 4439400 190.348 4.40936 -31.7589 166.156 127.975 16.0074 -8.29476 8.06908 84.9002 PRESSAVG: 4439400 70.9943 12.0489 -25.3364 12.049 -6.05199 18.9964 -25.3364 18.9964 -56.0949 GPRESSAVG: 4439400 70.8491 12.7685 -24.1085 9.41957 -6.77647 22.3365 -25.9281 18.4052 -56.2356 TIMING: 4439400 CPU: 12899.3, 0.00290147/step Wall: 12899.3, 0.00290147/step, 0.451824 hours remaining, 209.230469 MB of memory in use. ENERGY: 4439400 724.9645 2112.5617 1935.0568 118.5171 -206175.1335 17851.0471 0.0000 0.0000 34309.9662 -149123.0202 299.6375 -183432.9864 -149035.2577 299.3219 105.8354 134.4078 555584.6552 2.9491 2.6123 PRESSURE: 4439600 24.7844 140.967 -11.2241 140.968 7.58021 -22.859 -11.2245 -22.8595 223.441 GPRESSURE: 4439600 20.4746 72.2686 -61.2998 163.426 54.8126 -74.115 17.9191 -48.0987 265.572 PRESSAVG: 4439600 78.4197 16.6883 -52.5262 16.6884 -1.01216 4.31303 -52.5262 4.31318 -69.8617 GPRESSAVG: 4439600 77.9741 17.8629 -55.0423 17.3827 -1.03093 -0.200713 -51.1977 5.7056 -69.6853 TIMING: 4439600 CPU: 12899.9, 0.00291863/step Wall: 12899.9, 0.00291863/step, 0.454334 hours remaining, 209.363281 MB of memory in use. ENERGY: 4439600 731.5404 2073.0888 1959.1919 91.0473 -206272.4472 18044.8685 0.0000 0.0000 34259.0245 -149113.6857 299.1926 -183372.7102 -149024.9319 299.5657 85.2685 113.6198 557515.7382 2.5153 2.4193 PRESSURE: 4439800 -426.156 -26.9842 28.3736 -26.9834 -12.915 -53.4151 28.3723 -53.4171 -464.461 GPRESSURE: 4439800 -330.26 -78.316 -44.0341 -82.9751 -12.3407 -40.6137 -19.5676 -78.9795 -451.34 PRESSAVG: 4439800 43.3216 7.8817 1.54248 7.88177 -22.4326 21.2871 1.54237 21.2873 -48.0158 GPRESSAVG: 4439800 42.9437 8.12099 4.92036 6.60968 -21.782 23.0599 -0.16801 22.0385 -48.4105 TIMING: 4439800 CPU: 12900.4, 0.00291235/step Wall: 12900.4, 0.00291235/step, 0.453193 hours remaining, 209.363281 MB of memory in use. ENERGY: 4439800 701.7133 2063.4610 1960.5125 104.9381 -205428.7204 17192.1800 0.0000 0.0000 34198.5273 -149207.3882 298.6642 -183405.9155 -149107.7649 299.1388 -301.1774 -264.6469 558816.8473 -9.0423 -9.0829 PRESSURE: 4440000 -281.501 -48.6297 54.7074 -48.63 -118.555 -112.183 54.7065 -112.183 -275.973 GPRESSURE: 4440000 -211.146 -125.864 60.1382 -127.187 -120.782 -17.4205 70.601 -156.826 -257.101 PRESSAVG: 4440000 1.00718 -55.0207 -30.0354 -55.0207 -7.20876 18.1503 -30.0355 18.1502 -22.881 GPRESSAVG: 4440000 -0.0227891 -55.8266 -29.4891 -51.8766 -6.65556 19.2475 -30.4868 19.4218 -22.7524 TIMING: 4440000 CPU: 12901, 0.00292085/step Wall: 12901, 0.00292085/step, 0.454354 hours remaining, 209.363281 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: 4440000 745.4310 2107.8729 1948.8626 102.6579 -205618.2141 17359.7055 0.0000 0.0000 34305.0881 -149048.5962 299.5949 -183353.6842 -148946.6955 298.9286 -225.3426 -196.3433 557266.9926 -9.6942 -9.8102 PRESSURE: 4440200 -83.0894 -204.687 -180.213 -204.688 -72.2029 58.0869 -180.214 58.0886 345.457 GPRESSURE: 4440200 -82.5795 -98.4122 -190.063 -248.83 -62.1618 96.8759 -168.551 2.75088 423.099 PRESSAVG: 4440200 -25.8557 -106.913 -37.3379 -106.913 8.79609 -22.1342 -37.3379 -22.1341 0.473122 GPRESSAVG: 4440200 -24.3857 -106.25 -37.5747 -108.434 6.77625 -21.3032 -39.3299 -25.47 0.611901 TIMING: 4440200 CPU: 12901.6, 0.00290276/step Wall: 12901.6, 0.00290276/step, 0.451379 hours remaining, 209.363281 MB of memory in use. ENERGY: 4440200 720.6767 2102.2493 1920.5117 100.5615 -205924.7891 17866.5721 0.0000 0.0000 34179.4564 -149034.7614 298.4977 -183214.2178 -148941.3844 299.1649 63.3882 92.7859 557178.9172 -5.5288 -5.6659 LDB: ============= START OF LOAD BALANCING ============== 12905.1 LDB: ============== END OF LOAD BALANCING =============== 12905.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12905.1 LDB: ============= START OF LOAD BALANCING ============== 12905.4 LDB: Largest compute 4848 load 0.029369 is 24.9% of average load 0.117733 LDB: Average compute 0.001735 is 1.5% of average load 0.117733 LDB: TIME 12905.4 LOAD: AVG 0.117733 MAX 0.179256 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.555 MB LDB: TIME 12905.4 LOAD: AVG 0.117733 MAX 0.179256 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: TIME 12905.4 LOAD: AVG 0.117733 MAX 0.179256 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12905.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12905.4 PRESSURE: 4440400 -230.58 -71.932 -86.1197 -71.9309 -68.6917 -12.1869 -86.1188 -12.185 -184.559 GPRESSURE: 4440400 -183.772 -53.103 -14.59 -137.937 -119.418 1.246 -141.769 -24.3082 -81.0429 PRESSAVG: 4440400 -31.3106 19.0436 -10.9864 19.0437 -64.4962 -15.1364 -10.9864 -15.1364 82.495 GPRESSAVG: 4440400 -32.2145 17.2314 -13.7628 21.117 -63.748 -16.1795 -8.53492 -13.7538 81.8218 TIMING: 4440400 CPU: 12902.2, 0.00297042/step Wall: 12902.2, 0.00297042/step, 0.461735 hours remaining, 206.449219 MB of memory in use. ENERGY: 4440400 761.8939 2102.8550 1939.2292 114.7511 -205708.3089 17617.0107 0.0000 0.0000 34270.7107 -148901.8582 299.2946 -183172.5689 -148803.9257 299.4842 -161.2769 -128.0776 557950.3094 -4.4373 -4.7136 PRESSURE: 4440600 33.1074 -49.6069 196.578 -49.606 -189.98 -25.9647 196.58 -25.9655 -110.373 GPRESSURE: 4440600 60.2094 -168.1 243.522 -26.1575 -130.643 -39.1964 131.885 -40.7963 -100.306 PRESSAVG: 4440600 -27.3994 14.0702 25.1026 14.0701 -2.36118 3.58224 25.1026 3.58226 17.0249 GPRESSAVG: 4440600 -28.3274 13.8755 27.2622 14.7972 -1.66778 2.50058 22.1192 4.04195 17.0993 TIMING: 4440600 CPU: 12902.8, 0.00290312/step Wall: 12902.8, 0.00290312/step, 0.451112 hours remaining, 206.449219 MB of memory in use. ENERGY: 4440600 714.7344 2057.3428 1936.1461 114.6095 -205860.9282 17592.2874 0.0000 0.0000 34490.6394 -148955.1686 301.2153 -183445.8080 -148854.6905 299.2154 -89.0816 -56.9134 557950.1031 -4.2452 -4.2986 PRESSURE: 4440800 -82.5587 147.114 48.7859 147.115 -199.75 21.743 48.7854 21.7418 69.0195 GPRESSURE: 4440800 -75.8022 152.94 -48.6676 103.121 -202.009 -67.3013 196.32 20.6266 163.989 PRESSAVG: 4440800 13.7899 27.6251 41.9086 27.6251 8.23896 -26.3822 41.9086 -26.3823 -31.1529 GPRESSAVG: 4440800 14.2443 28.5626 39.9739 25.2268 6.54388 -23.5591 44.7482 -27.9658 -30.368 TIMING: 4440800 CPU: 12903.4, 0.00288773/step Wall: 12903.4, 0.00288773/step, 0.448561 hours remaining, 206.449219 MB of memory in use. ENERGY: 4440800 767.8704 2067.3456 1909.4522 109.5730 -206142.0685 17728.6195 0.0000 0.0000 34464.2950 -149094.9127 300.9853 -183559.2076 -149005.7843 299.8293 -71.0965 -37.9407 556438.3100 -3.0413 -3.1933 PRESSURE: 4441000 118.375 -161.766 75.3295 -161.766 -73.4368 120.694 75.329 120.693 -194.567 GPRESSURE: 4441000 78.6227 -221.024 36.734 -148.078 23.1166 91.9892 -0.345905 145.207 -146.425 PRESSAVG: 4441000 68.2986 -14.674 -28.0083 -14.674 -29.9433 27.9956 -28.0084 27.9956 -12.8802 GPRESSAVG: 4441000 67.58 -14.4187 -28.3439 -14.5842 -28.5172 25.3272 -29.397 28.7627 -13.3576 TIMING: 4441000 CPU: 12903.9, 0.00289281/step Wall: 12903.9, 0.00289281/step, 0.44919 hours remaining, 206.507812 MB of memory in use. ENERGY: 4441000 727.8315 2077.6249 1952.1295 101.4986 -205895.4526 17648.7833 0.0000 0.0000 34322.0990 -149065.4858 299.7434 -183387.5848 -148975.4016 299.3505 -49.8762 -14.8954 556069.4896 8.4917 8.5684 PRESSURE: 4441200 -254.139 34.2909 38.0212 34.291 -178.508 -30.3096 38.0204 -30.3083 -342.33 GPRESSURE: 4441200 -202.94 70.6006 64.3828 -65.8271 -195.696 -11.3575 -41.5028 24.0953 -279.074 PRESSAVG: 4441200 -24.5637 -18.7492 -34.2163 -18.7492 17.2172 -41.8675 -34.2163 -41.8675 -0.675677 GPRESSAVG: 4441200 -23.1933 -19.2011 -34.2811 -19.1788 15.8881 -39.2632 -33.8279 -41.5589 -1.06714 TIMING: 4441200 CPU: 12904.5, 0.00288434/step Wall: 12904.5, 0.00288434/step, 0.447714 hours remaining, 206.507812 MB of memory in use. ENERGY: 4441200 732.2161 2088.4932 1935.7022 109.1856 -205728.9487 17421.4781 0.0000 0.0000 34219.9891 -149221.8843 298.8517 -183441.8734 -149121.8336 298.9938 -258.3256 -225.9031 556954.5165 -2.6741 -2.7908 PRESSURE: 4441400 441.875 78.9639 -12.5143 78.9622 -47.0582 -87.8157 -12.5138 -87.8168 -67.9556 GPRESSURE: 4441400 464.505 16.5307 -82.0045 93.8273 -37.2756 -83.4601 42.4255 -133.654 4.85931 PRESSAVG: 4441400 18.1473 -2.47585 -19.3784 -2.47583 -22.3194 -53.3416 -19.3783 -53.3417 -49.2711 GPRESSAVG: 4441400 17.8386 -3.77293 -17.6318 -0.460723 -22.2514 -55.5924 -17.7944 -54.5998 -48.9065 TIMING: 4441400 CPU: 12905.1, 0.00290065/step Wall: 12905.1, 0.00290065/step, 0.450084 hours remaining, 206.507812 MB of memory in use. ENERGY: 4441400 728.8713 2053.1580 1943.7112 112.4761 -206330.1571 17909.5626 0.0000 0.0000 34387.6405 -149194.7374 300.3158 -183582.3779 -149101.9271 299.3326 108.9537 144.0295 556398.3764 -17.8144 -17.7731 PRESSURE: 4441600 -215.62 12.7402 -115.133 12.741 -334.961 211.104 -115.133 211.103 -230.319 GPRESSURE: 4441600 -152.784 46.8883 -81.5797 9.39108 -275.238 84.7053 -60.9966 201.802 -252.58 PRESSAVG: 4441600 26.0424 4.87453 -7.25827 4.87451 -31.0035 3.0491 -7.25832 3.0491 15.8196 GPRESSAVG: 4441600 27.5535 4.13357 -6.14446 5.43214 -30.6981 2.84099 -9.74267 2.22842 14.1977 TIMING: 4441600 CPU: 12905.7, 0.00289494/step Wall: 12905.7, 0.00289494/step, 0.449038 hours remaining, 206.507812 MB of memory in use. ENERGY: 4441600 743.6420 2115.0217 1931.7473 107.2587 -205750.7086 17426.6066 0.0000 0.0000 34231.0816 -149195.3507 298.9485 -183426.4323 -149095.9070 299.2219 -260.3001 -226.8676 557750.5691 3.6195 3.6844 PRESSURE: 4441800 55.4656 -75.3337 35.3811 -75.3337 87.8069 -70.7154 35.3818 -70.7144 224.138 GPRESSURE: 4441800 64.2947 16.9704 65.0772 -174.343 162.745 -114.685 82.8591 -31.1096 249.89 PRESSAVG: 4441800 13.6395 3.16757 13.6174 3.16755 -20.2784 27.3112 13.6175 27.311 83.284 GPRESSAVG: 4441800 12.8725 5.89572 12.4342 1.09475 -21.0967 28.1032 15.4775 29.3924 84.8849 TIMING: 4441800 CPU: 12906.2, 0.00289353/step Wall: 12906.2, 0.00289353/step, 0.448657 hours remaining, 206.507812 MB of memory in use. ENERGY: 4441800 748.2092 2135.4561 1950.0044 118.4905 -206531.0574 18051.9243 0.0000 0.0000 34084.5617 -149442.4110 297.6690 -183526.9727 -149348.2937 299.4212 122.4701 158.9766 555489.9908 25.5484 25.5536 PRESSURE: 4442000 -230.68 73.2471 78.9499 73.2489 -208.976 -133.735 78.9494 -133.735 62.5899 GPRESSURE: 4442000 -242.758 38.2708 47.2627 120.423 -143.683 -16.5622 79.0787 -151.344 96.0455 PRESSAVG: 4442000 20.6576 -25.7072 31.0443 -25.7072 -77.8414 -4.19236 31.0443 -4.19238 41.1552 GPRESSAVG: 4442000 18.9354 -25.9704 29.3858 -25.3558 -76.2376 -4.00527 29.7342 -6.07469 41.2721 TIMING: 4442000 CPU: 12906.8, 0.00290342/step Wall: 12906.8, 0.00290342/step, 0.45003 hours remaining, 206.507812 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: 4442000 761.0089 2046.5504 1972.1704 105.5520 -206386.5378 17772.4920 0.0000 0.0000 34307.3002 -149421.4638 299.6142 -183728.7641 -149322.5550 299.3083 -125.6887 -96.7983 556975.4708 -5.3429 -5.3434 PRESSURE: 4442200 18.8168 136.825 -104.871 136.825 10.5258 -44.43 -104.872 -44.429 -41.5679 GPRESSURE: 4442200 62.934 132.978 -192.062 72.3928 -21.001 36.3305 -106.237 -39.6689 33.1665 PRESSAVG: 4442200 71.3165 29.7908 21.5848 29.7907 -63.1969 -48.6058 21.5848 -48.6058 -23.6768 GPRESSAVG: 4442200 72.0291 29.2894 22.2952 29.0932 -63.8128 -48.4407 20.9091 -47.7308 -23.1434 TIMING: 4442200 CPU: 12907.4, 0.00289755/step Wall: 12907.4, 0.00289755/step, 0.44896 hours remaining, 206.507812 MB of memory in use. ENERGY: 4442200 714.2211 2063.5975 1953.7600 117.9891 -206272.4896 17792.1268 0.0000 0.0000 34180.8671 -149449.9278 298.5100 -183630.7950 -149350.8520 298.8923 -4.0751 25.0332 558064.9275 -5.1857 -4.9757 PRESSURE: 4442400 75.9809 128.398 81.9879 128.399 -210.472 15.4851 81.9895 15.4855 -9.77985 GPRESSURE: 4442400 93.6491 39.6476 68.8621 269.121 -129.909 -11.7592 97.4544 43.5572 0.844942 PRESSAVG: 4442400 4.03353 -28.9023 6.37163 -28.9023 -33.7576 10.1213 6.37161 10.1212 48.9211 GPRESSAVG: 4442400 4.00122 -29.2837 6.97357 -28.0632 -32.7996 8.95285 7.06569 11.0176 47.7861 TIMING: 4442400 CPU: 12908, 0.00291106/step Wall: 12908, 0.00291106/step, 0.450891 hours remaining, 206.519531 MB of memory in use. ENERGY: 4442400 732.5919 2064.0013 1988.2479 102.2712 -206229.5373 17840.3298 0.0000 0.0000 34148.2736 -149353.8217 298.2254 -183502.0953 -149255.3896 299.2752 -48.0904 -11.8049 557959.5605 6.3990 6.3292 PRESSURE: 4442600 64.8418 -28.8467 -65.2991 -28.8461 211.439 -33.4195 -65.2999 -33.4204 114.631 GPRESSURE: 4442600 79.552 -46.5242 -74.4849 -44.9803 244.38 -26.2349 -158.76 -71.9136 167.271 PRESSAVG: 4442600 15.85 -39.8405 0.853538 -39.8405 23.7355 -7.90039 0.853583 -7.90028 -25.5433 GPRESSAVG: 4442600 16.1733 -40.0497 2.41283 -41.3866 22.8147 -5.93165 0.643578 -9.15336 -25.2012 TIMING: 4442600 CPU: 12908.6, 0.00290223/step Wall: 12908.6, 0.00290223/step, 0.449362 hours remaining, 206.519531 MB of memory in use. ENERGY: 4442600 715.3653 2059.5789 1922.4985 126.6423 -206486.5278 18008.8785 0.0000 0.0000 34186.6671 -149466.8972 298.5607 -183653.5643 -149374.1473 298.7536 130.3038 163.7343 556696.6048 4.6807 4.5956 PRESSURE: 4442800 -43.0969 247.568 -179.54 247.569 -230.344 12.1565 -179.54 12.1541 -19.0603 GPRESSURE: 4442800 -10.558 326.497 -121.683 165.129 -206.655 44.12 -157.848 -1.40609 8.02676 PRESSAVG: 4442800 18.6646 9.3357 -0.59692 9.33573 13.9161 -2.92981 -0.597005 -2.92987 40.6924 GPRESSAVG: 4442800 18.4509 9.39008 -2.41445 11.2595 13.9679 -5.13561 0.835501 -1.55798 40.9045 TIMING: 4442800 CPU: 12909.2, 0.0029122/step Wall: 12909.2, 0.0029122/step, 0.450744 hours remaining, 206.519531 MB of memory in use. ENERGY: 4442800 767.8894 2108.1595 1954.6410 105.5787 -206289.4810 17729.0474 0.0000 0.0000 34267.1960 -149356.9691 299.2639 -183624.1651 -149260.4481 298.8832 -97.5005 -69.7287 556371.4905 24.4244 24.4411 PRESSURE: 4443000 -318.934 61.3428 23.2126 61.3425 208.078 25.0208 23.2131 25.0197 126.811 GPRESSURE: 4443000 -208.52 54.1214 48.8391 25.7493 126.334 -0.0510674 -82.665 102.045 183.105 PRESSAVG: 4443000 -7.36159 52.0358 -22.7995 52.0358 35.6029 -94.9275 -22.7996 -94.9275 -34.9829 GPRESSAVG: 4443000 -6.55534 52.5799 -23.5539 51.6262 36.6852 -93.9454 -22.75 -95.1913 -36.6662 TIMING: 4443000 CPU: 12909.7, 0.00290611/step Wall: 12909.7, 0.00290611/step, 0.44964 hours remaining, 206.519531 MB of memory in use. ENERGY: 4443000 737.7813 2165.2246 1960.1501 128.5535 -205783.2213 17603.9452 0.0000 0.0000 33835.6802 -149351.8864 295.4954 -183187.5666 -149254.0982 298.7002 5.3184 33.6397 556687.8013 -2.2472 -2.1788 PRESSURE: 4443200 103.485 -124.098 38.3402 -124.096 19.6449 137.58 38.3402 137.581 23.4162 GPRESSURE: 4443200 128.238 -101.155 -22.7038 -118.203 37.5914 157.193 52.819 88.6897 71.3504 PRESSAVG: 4443200 35.8209 60.0897 -6.85968 60.0898 -70.1216 -39.9034 -6.85965 -39.9034 33.2149 GPRESSAVG: 4443200 35.9212 60.2803 -5.32968 59.8624 -70.8944 -39.7002 -7.80693 -40.8824 34.1079 TIMING: 4443200 CPU: 12910.3, 0.00291549/step Wall: 12910.3, 0.00291549/step, 0.45093 hours remaining, 206.519531 MB of memory in use. ENERGY: 4443200 714.7504 2123.7828 1966.8552 109.0183 -206271.8211 17869.8854 0.0000 0.0000 34287.8405 -149199.6885 299.4442 -183487.5291 -149104.4986 298.0359 48.8486 79.0600 557429.1483 -0.3619 -0.2884 PRESSURE: 4443400 -158.936 68.1553 -77.9425 68.1552 -295.996 -94.1446 -77.9428 -94.1431 -92.3878 GPRESSURE: 4443400 -125.846 167.386 -111.57 79.7275 -250.195 -63.6317 -76.1484 -79.0002 -63.5982 PRESSAVG: 4443400 49.3169 37.4556 47.716 37.4555 -51.6905 57.5065 47.716 57.5065 37.2833 GPRESSAVG: 4443400 47.6308 36.6963 46.4946 39.0122 -51.7396 58.7891 48.7381 56.0805 38.8677 TIMING: 4443400 CPU: 12910.9, 0.00292457/step Wall: 12910.9, 0.00292457/step, 0.45217 hours remaining, 206.519531 MB of memory in use. ENERGY: 4443400 756.6162 2072.5680 1974.3669 122.1603 -206110.2182 17582.7553 0.0000 0.0000 34335.4738 -149266.2778 299.8602 -183601.7516 -149168.2372 298.9176 -182.4399 -146.5465 557548.9296 11.6366 11.5863 PRESSURE: 4443600 -81.2766 -151.07 52.0299 -151.07 -128.396 167.077 52.0287 167.074 -221.781 GPRESSURE: 4443600 -19.123 -105.046 70.286 -151.394 -113.696 152.884 72.3975 167.326 -206.884 PRESSAVG: 4443600 32.3509 30.8495 -35.365 30.8494 -73.2142 2.88556 -35.3651 2.88542 26.8158 GPRESSAVG: 4443600 33.5013 31.1227 -34.1209 29.5734 -72.8528 2.70783 -37.0737 4.56621 25.6089 TIMING: 4443600 CPU: 12911.5, 0.00293001/step Wall: 12911.5, 0.00293001/step, 0.452849 hours remaining, 206.519531 MB of memory in use. ENERGY: 4443600 745.3330 2103.5179 1977.4495 122.6336 -206283.4689 17698.0829 0.0000 0.0000 34241.9098 -149394.5422 299.0431 -183636.4520 -149294.8287 298.7308 -143.8178 -113.2346 558033.3560 -4.6825 -4.5809 PRESSURE: 4443800 31.9245 123.801 0.433364 123.801 7.31869 -11.5061 0.434365 -11.5069 103.648 GPRESSURE: 4443800 38.2337 93.4284 20.6961 80.3771 50.842 31.5003 0.432121 -16.6881 144.047 PRESSAVG: 4443800 35.3133 -10.068 34.1889 -10.068 -64.8412 10.0116 34.189 10.0116 51.9229 GPRESSAVG: 4443800 34.0177 -11.556 34.9969 -9.34709 -63.7548 11.0863 34.0805 9.90608 52.0439 TIMING: 4443800 CPU: 12912.1, 0.00290788/step Wall: 12912.1, 0.00290788/step, 0.449267 hours remaining, 206.519531 MB of memory in use. ENERGY: 4443800 786.0524 2116.9398 1951.1296 114.6175 -206445.6816 18080.4501 0.0000 0.0000 34216.0106 -149180.4816 298.8169 -183396.4922 -149075.5401 298.0707 47.6303 77.7077 559481.3325 7.4650 7.4356 PRESSURE: 4444000 -266.743 88.1717 17.0481 88.1724 -124.581 -98.2861 17.0482 -98.2868 -364.211 GPRESSURE: 4444000 -219.156 49.9862 16.7211 190.043 -117.753 -185.682 44.5044 9.10164 -325.98 PRESSAVG: 4444000 -81.5573 14.6447 -64.5906 14.6446 -0.534201 -14.7547 -64.5907 -14.7547 86.9458 GPRESSAVG: 4444000 -81.2006 15.8198 -65.6797 14.6267 -1.57932 -16.7179 -64.6928 -14.0668 87.6993 TIMING: 4444000 CPU: 12912.7, 0.00290362/step Wall: 12912.7, 0.00290362/step, 0.448448 hours remaining, 206.519531 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: 4444000 766.4500 2128.0825 1965.9480 112.1578 -206295.2764 17564.2277 0.0000 0.0000 34454.7929 -149303.6174 300.9023 -183758.4104 -149209.5867 299.9655 -251.8454 -220.9632 557728.7759 1.6181 1.6398 PRESSURE: 4444200 -394.721 121.769 -86.5794 121.77 -293.096 -43.8607 -86.5812 -43.861 -262.004 GPRESSURE: 4444200 -299.701 147.766 14.0359 76.5203 -312.266 -72.4327 -113.68 -44.7941 -234.497 PRESSAVG: 4444200 -46.2619 -43.6807 -73.7901 -43.6807 30.5889 20.5697 -73.7901 20.5695 72.889 GPRESSAVG: 4444200 -45.7362 -45.0235 -73.0825 -41.4402 30.2121 20.4941 -72.5265 19.6691 72.4266 TIMING: 4444200 CPU: 12913.2, 0.00292018/step Wall: 12913.2, 0.00292018/step, 0.450843 hours remaining, 206.519531 MB of memory in use. ENERGY: 4444200 773.0060 2092.7971 1961.5378 117.6094 -205750.6654 17384.5099 0.0000 0.0000 34135.6391 -149285.5661 298.1150 -183421.2052 -149185.6395 299.2938 -316.6068 -282.1548 558231.0379 19.0720 18.9675 LDB: ============= START OF LOAD BALANCING ============== 12916.7 LDB: ============== END OF LOAD BALANCING =============== 12916.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12916.7 LDB: ============= START OF LOAD BALANCING ============== 12917 LDB: Largest compute 4848 load 0.029273 is 24.9% of average load 0.117752 LDB: Average compute 0.001737 is 1.5% of average load 0.117752 LDB: TIME 12917 LOAD: AVG 0.117752 MAX 0.179489 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 12917 LOAD: AVG 0.117752 MAX 0.179489 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: TIME 12917 LOAD: AVG 0.117752 MAX 0.179489 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.02 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12917 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12917 PRESSURE: 4444400 -54.9187 -16.6178 -159.149 -16.6191 -231.886 261.124 -159.149 261.124 -111.958 GPRESSURE: 4444400 -14.0225 -117.21 -193.249 11.2609 -174.26 305.221 -120.227 198.974 -107.338 PRESSAVG: 4444400 29.3854 -16.8406 -41.423 -16.8407 -12.1169 25.8042 -41.423 25.8042 11.2498 GPRESSAVG: 4444400 28.5422 -17.9613 -41.9222 -18.2915 -11.0921 24.4674 -41.5767 24.8356 11.0274 TIMING: 4444400 CPU: 12913.8, 0.00296502/step Wall: 12913.8, 0.00296502/step, 0.457602 hours remaining, 207.414062 MB of memory in use. ENERGY: 4444400 759.7777 2143.0153 1942.5389 107.4899 -206610.9613 17967.2381 0.0000 0.0000 34327.7821 -149363.1192 299.7931 -183690.9014 -149266.9920 299.2896 -132.9210 -98.5403 559193.1742 9.5061 9.4925 PRESSURE: 4444600 -120.399 -3.16897 -48.7415 -3.17146 -72.6677 -82.4904 -48.7405 -82.4897 4.39878 GPRESSURE: 4444600 -39.108 -47.8789 -75.4486 35.1236 -137.988 -117.614 -50.2454 -101.457 95.1753 PRESSAVG: 4444600 -0.855835 -7.27972 -28.3013 -7.27968 -10.1009 -0.233017 -28.3014 -0.232931 21.1449 GPRESSAVG: 4444600 1.5999 -6.4657 -30.6318 -6.71645 -10.9196 2.81856 -27.1474 0.145862 20.1387 TIMING: 4444600 CPU: 12914.4, 0.00291359/step Wall: 12914.4, 0.00291359/step, 0.449501 hours remaining, 207.671875 MB of memory in use. ENERGY: 4444600 789.7484 2079.8283 1955.9972 117.4846 -206629.4467 17907.3858 0.0000 0.0000 34421.9648 -149357.0376 300.6156 -183779.0024 -149260.1309 299.1781 -62.8893 -27.3070 557736.3015 3.3961 3.6063 PRESSURE: 4444800 -6.66206 -169.796 -134.146 -169.796 -122.275 -19.5311 -134.147 -19.5303 218.222 GPRESSURE: 4444800 17.6822 -152.166 -196.744 -170.087 -65.9998 -32.1681 -97.4139 -17.4683 220.435 PRESSAVG: 4444800 -19.9082 -33.9547 -17.4937 -33.9546 17.4368 24.1092 -17.4937 24.1092 -15.9358 GPRESSAVG: 4444800 -22.2264 -31.8164 -13.1693 -35.0257 18.1174 22.5246 -20.7031 24.1028 -14.473 TIMING: 4444800 CPU: 12915, 0.00290489/step Wall: 12915, 0.00290489/step, 0.447998 hours remaining, 207.671875 MB of memory in use. ENERGY: 4444800 757.6727 2104.1141 1950.5770 105.9884 -206366.6995 17767.4544 0.0000 0.0000 34308.4658 -149372.4270 299.6244 -183680.8928 -149274.9425 298.8563 29.7619 57.3726 557269.7837 -6.1357 -6.1940 PRESSURE: 4445000 -254.495 10.9013 -59.4016 10.9028 33.333 -0.761959 -59.4023 -0.762901 -111.431 GPRESSURE: 4445000 -206.312 8.3902 -76.3217 7.33233 94.6698 30.6213 -112.968 -27.1852 -133.806 PRESSAVG: 4445000 -60.5378 -96.1029 -28.1797 -96.1028 62.3929 32.516 -28.1796 32.516 26.8618 GPRESSAVG: 4445000 -60.8992 -96.6581 -27.3465 -96.3985 63.6115 33.7114 -27.8675 33.2446 25.6361 TIMING: 4445000 CPU: 12915.6, 0.0029081/step Wall: 12915.6, 0.0029081/step, 0.448332 hours remaining, 207.671875 MB of memory in use. ENERGY: 4445000 749.2214 2095.7873 1932.3276 103.8607 -206102.0321 17802.3557 0.0000 0.0000 34193.6136 -149224.8657 298.6213 -183418.4793 -149130.1033 299.1041 -110.8644 -81.8159 557760.4536 9.5723 9.4495 PRESSURE: 4445200 -168.639 -134.965 -23.6493 -134.964 -72.0176 180.727 -23.6513 180.725 -67.9981 GPRESSURE: 4445200 -197.887 -120.915 9.09307 -74.8396 29.3182 135.301 -78.0648 216.785 -43.9487 PRESSAVG: 4445200 -30.0971 -67.4425 15.0031 -67.4425 35.3937 0.518278 15.003 0.518261 -26.7223 GPRESSAVG: 4445200 -28.9108 -68.8137 13.8072 -66.4088 34.6564 0.201062 14.7217 0.115579 -27.2465 TIMING: 4445200 CPU: 12916.2, 0.00290579/step Wall: 12916.2, 0.00290579/step, 0.447815 hours remaining, 207.671875 MB of memory in use. ENERGY: 4445200 778.6664 2102.6547 1955.4118 126.2869 -206241.8674 17785.1296 0.0000 0.0000 34133.4030 -149360.3150 298.0955 -183493.7180 -149266.3344 299.2522 -102.8850 -70.8391 558441.7680 -7.1419 -7.1670 PRESSURE: 4445400 -152.738 -53.8582 136.242 -53.8578 44.5449 177.27 136.243 177.269 103.127 GPRESSURE: 4445400 -128.304 -16.6295 132.541 -19.7766 83.0001 108.79 72.0312 238.813 120.555 PRESSAVG: 4445400 -20.4273 46.0944 7.81246 46.0944 -19.2826 25.3568 7.81253 25.3568 70.506 GPRESSAVG: 4445400 -22.2534 47.7344 7.87663 45.8429 -18.8466 25.3392 7.11295 26.9101 71.6151 TIMING: 4445400 CPU: 12916.7, 0.00289787/step Wall: 12916.7, 0.00289787/step, 0.446434 hours remaining, 207.671875 MB of memory in use. ENERGY: 4445400 709.8753 2095.8255 1948.7381 102.3349 -206500.2105 17996.9496 0.0000 0.0000 34135.3822 -149511.1049 298.1128 -183646.4871 -149416.4934 298.2468 -1.6886 25.0838 558016.6895 10.2654 10.1717 PRESSURE: 4445600 196.029 17.4481 -71.2539 17.4489 -36.5081 -4.4242 -71.2534 -4.42393 -55.92 GPRESSURE: 4445600 217.279 47.3275 -40.041 65.0268 -33.8721 43.0756 -54.2695 -50.605 8.55313 PRESSAVG: 4445600 -3.37075 43.7503 71.9847 43.7502 29.492 -10.0192 71.9846 -10.0191 26.0426 GPRESSAVG: 4445600 -0.606263 42.182 71.1416 42.9854 27.8476 -9.39854 74.2732 -11.6272 24.778 TIMING: 4445600 CPU: 12917.3, 0.00289985/step Wall: 12917.3, 0.00289985/step, 0.446576 hours remaining, 207.671875 MB of memory in use. ENERGY: 4445600 734.5366 2051.8970 1959.2987 109.7574 -206498.2186 17921.2162 0.0000 0.0000 34304.5341 -149416.9786 299.5900 -183721.5128 -149316.2986 298.8017 34.5336 63.9868 556986.7065 17.3880 17.3398 PRESSURE: 4445800 -38.0141 161.033 -49.0482 161.033 176.171 69.9008 -49.0489 69.9014 -92.2501 GPRESSURE: 4445800 -35.0219 91.3617 -151.728 217.883 237.609 47.4828 11.9576 47.4106 -60.0279 PRESSAVG: 4445800 -22.015 23.6149 13.4377 23.6149 23.4446 62.4073 13.4378 62.4074 20.0697 GPRESSAVG: 4445800 -22.153 22.6694 12.8996 23.6323 24.1369 60.9968 13.5705 63.8111 18.7933 TIMING: 4445800 CPU: 12917.9, 0.0029109/step Wall: 12917.9, 0.0029109/step, 0.448118 hours remaining, 207.671875 MB of memory in use. ENERGY: 4445800 715.5781 2080.8547 1942.2673 108.9990 -206143.1197 17789.9292 0.0000 0.0000 34229.7322 -149275.7591 298.9368 -183505.4913 -149181.6730 298.9927 15.3023 47.5198 557398.7265 7.1664 6.9257 PRESSURE: 4446000 -62.4166 -7.27524 6.13407 -7.27359 -180.446 111.538 6.1338 111.537 -5.03615 GPRESSURE: 4446000 -57.6502 -9.61485 -28.7934 -10.1888 -120.777 57.9871 65.6563 181.231 38.8458 PRESSAVG: 4446000 -42.4091 -51.4639 -26.7175 -51.464 -56.5839 7.82557 -26.7175 7.82543 63.0378 GPRESSAVG: 4446000 -42.2545 -48.188 -25.9977 -52.7024 -57.0565 9.64809 -26.8024 7.0735 63.766 TIMING: 4446000 CPU: 12918.5, 0.0029004/step Wall: 12918.5, 0.0029004/step, 0.44634 hours remaining, 207.671875 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: 4446000 732.0661 2022.6249 1933.2383 121.6415 -206438.1219 17880.6995 0.0000 0.0000 34513.2949 -149234.5568 301.4132 -183747.8517 -149141.9381 299.6062 -82.6329 -46.5271 557925.4020 -11.9851 -11.8483 PRESSURE: 4446200 -152.865 -179.272 -132.518 -179.272 -282.041 -4.28762 -132.518 -4.28631 32.084 GPRESSURE: 4446200 -113.598 -197.284 -197.229 -210.021 -278.492 11.6368 -165.619 38.6625 79.6514 PRESSAVG: 4446200 -18.0023 0.689769 -46.0582 0.68979 -48.4535 15.7888 -46.0582 15.7887 51.3416 GPRESSAVG: 4446200 -19.5564 -1.27225 -43.6247 2.09567 -47.2892 15.211 -47.1905 14.3539 52.2905 TIMING: 4446200 CPU: 12919.1, 0.00290836/step Wall: 12919.1, 0.00290836/step, 0.447402 hours remaining, 207.781250 MB of memory in use. ENERGY: 4446200 764.9358 2090.6855 1946.9169 109.9069 -206289.0281 17690.9334 0.0000 0.0000 34282.2516 -149403.3980 299.3954 -183685.6496 -149310.9798 299.1146 -134.2738 -104.1463 558942.9992 -5.0381 -4.8517 PRESSURE: 4446400 -162.851 134.749 114.189 134.748 256.061 -242.66 114.19 -242.66 401.314 GPRESSURE: 4446400 -86.1304 126.603 75.5558 128.24 315.041 -230.159 95.1816 -227.53 354.949 PRESSAVG: 4446400 -25.4493 -59.602 4.51806 -59.6021 16.851 -24.6721 4.51804 -24.6722 -0.147344 GPRESSAVG: 4446400 -24.7593 -59.5809 0.739803 -58.797 16.3268 -25.9783 5.60018 -24.3949 -0.401126 TIMING: 4446400 CPU: 12919.6, 0.00289842/step Wall: 12919.6, 0.00289842/step, 0.445713 hours remaining, 207.781250 MB of memory in use. ENERGY: 4446400 712.7846 2028.2637 1972.2042 111.7570 -206629.2726 18006.8587 0.0000 0.0000 34208.6931 -149588.7113 298.7530 -183797.4044 -149494.3886 298.5019 164.8414 194.6200 557005.1518 -2.9152 -2.9446 PRESSURE: 4446600 251.902 -78.4124 -58.7024 -78.4126 70.4593 -38.6126 -58.7018 -38.6128 -115.299 GPRESSURE: 4446600 311.636 -18.9756 -24.4432 -93.1524 12.1256 -24.6964 -69.3889 4.98742 -49.5514 PRESSAVG: 4446600 50.0314 26.2997 33.0015 26.2999 8.74124 -29.5065 33.0015 -29.5065 -25.2376 GPRESSAVG: 4446600 49.7445 27.403 34.7324 25.4977 9.16924 -27.1756 32.8703 -28.821 -26.0828 TIMING: 4446600 CPU: 12920.2, 0.00289498/step Wall: 12920.2, 0.00289498/step, 0.445023 hours remaining, 207.781250 MB of memory in use. ENERGY: 4446600 733.2478 2084.7556 1949.6956 121.3161 -206470.3160 17977.4640 0.0000 0.0000 34195.0868 -149408.7500 298.6342 -183603.8368 -149307.1389 298.4350 69.0206 91.4036 558171.1962 11.1783 10.9436 PRESSURE: 4446800 31.8428 13.2149 -19.7279 13.2146 317.392 130.669 -19.7275 130.668 -0.613935 GPRESSURE: 4446800 77.1613 -66.9221 -17.2479 38.7491 368.388 172.46 -21.0112 110.371 -13.0271 PRESSAVG: 4446800 -21.8667 -7.12089 -41.0986 -7.12083 36.964 -18.8712 -41.0986 -18.8711 14.2518 GPRESSAVG: 4446800 -23.107 -8.43948 -42.2772 -6.54599 37.4182 -20.063 -39.5318 -18.2622 14.5812 TIMING: 4446800 CPU: 12920.8, 0.00290263/step Wall: 12920.8, 0.00290263/step, 0.446037 hours remaining, 207.781250 MB of memory in use. ENERGY: 4446800 715.8972 2119.2125 1941.2858 114.7815 -206488.5768 18043.2942 0.0000 0.0000 34117.9744 -149436.1313 297.9608 -183554.1056 -149342.9224 299.0783 116.2068 144.1741 558993.2186 9.7830 9.6308 PRESSURE: 4447000 74.8891 8.567 -60.1553 8.56824 60.085 5.92341 -60.1553 5.92227 -313.509 GPRESSURE: 4447000 91.4984 -60.2659 -105.593 45.3878 83.794 57.3616 20.2958 -50.1041 -257.095 PRESSAVG: 4447000 -29.5462 15.2682 17.3243 15.268 39.9627 -18.6097 17.3243 -18.6097 -2.58924 GPRESSAVG: 4447000 -28.0773 16.4563 18.7835 14.163 39.9058 -18.9393 15.9462 -19.8846 -3.36914 TIMING: 4447000 CPU: 12921.4, 0.00291646/step Wall: 12921.4, 0.00291646/step, 0.448001 hours remaining, 207.781250 MB of memory in use. ENERGY: 4447000 740.0884 2049.5102 1964.8649 108.3069 -206531.9452 17970.4641 0.0000 0.0000 34338.8089 -149359.9018 299.8894 -183698.7107 -149262.5474 298.2590 -59.5116 -27.2674 558490.4516 2.6091 2.8198 PRESSURE: 4447200 -137.158 -285.371 -1.27564 -285.373 -219.746 22.4332 -1.27699 22.4329 -88.8141 GPRESSURE: 4447200 -103.666 -293.993 5.60118 -293.704 -153.024 66.2773 -57.8856 -5.70555 -93.982 PRESSAVG: 4447200 23.8191 42.9262 51.0573 42.9261 21.1995 23.4156 51.0574 23.4158 -36.4379 GPRESSAVG: 4447200 22.6915 41.5294 52.1483 43.571 21.7204 23.7772 50.965 25.6056 -36.248 TIMING: 4447200 CPU: 12922, 0.00290544/step Wall: 12922, 0.00290544/step, 0.446146 hours remaining, 207.781250 MB of memory in use. ENERGY: 4447200 752.2263 2079.4303 1952.8300 123.6546 -206010.4315 17634.1694 0.0000 0.0000 34188.7906 -149279.3303 298.5792 -183468.1209 -149180.5428 298.7605 -148.5726 -116.8909 559187.8888 2.8602 2.7213 PRESSURE: 4447400 -66.8695 119.169 -27.1773 119.169 129.294 -76.996 -27.1778 -76.9957 150.124 GPRESSURE: 4447400 -30.5456 144.357 -72.7476 91.1236 237.981 -19.349 -19.1303 -72.0226 110.108 PRESSAVG: 4447400 -10.8634 44.6898 19.9288 44.6898 4.82442 -28.6486 19.9288 -28.6486 24.603 GPRESSAVG: 4447400 -11.3803 44.895 18.6834 44.0731 5.22549 -27.959 19.5263 -29.6873 24.1221 TIMING: 4447400 CPU: 12922.5, 0.00289789/step Wall: 12922.5, 0.00289789/step, 0.444826 hours remaining, 207.781250 MB of memory in use. ENERGY: 4447400 746.1290 2069.9662 1938.9749 102.9326 -206404.3085 17962.5163 0.0000 0.0000 34272.6699 -149311.1196 299.3118 -183583.7894 -149215.1488 299.3041 70.8496 105.8477 557472.9459 6.1880 5.9891 PRESSURE: 4447600 -178.176 87.9319 22.4729 87.9329 -258.489 121.754 22.4719 121.754 -207.26 GPRESSURE: 4447600 -75.8171 132.15 57.4905 135.692 -209.33 116.181 19.9018 155.264 -248.206 PRESSAVG: 4447600 8.10492 35.4637 -3.90876 35.4637 -3.81996 38.7359 -3.90885 38.7359 -34.5098 GPRESSAVG: 4447600 8.49521 37.9071 -6.00584 36.4666 -5.40103 37.7929 -3.51277 38.0859 -33.346 TIMING: 4447600 CPU: 12923.1, 0.00290586/step Wall: 12923.1, 0.00290586/step, 0.445888 hours remaining, 207.781250 MB of memory in use. ENERGY: 4447600 769.9582 2055.7267 1942.4389 109.1908 -205631.5708 17629.2330 0.0000 0.0000 33998.6166 -149126.4066 296.9184 -183125.0232 -149036.0522 298.7585 -214.6417 -177.7846 559182.0494 -10.0749 -10.0839 PRESSURE: 4447800 -83.99 50.6416 -136.15 50.6403 -150.038 16.6663 -136.15 16.6661 220.742 GPRESSURE: 4447800 -18.0838 21.4466 -147.121 56.5081 -125.003 -17.2276 -103.091 57.898 225.286 PRESSAVG: 4447800 -21.4775 63.9325 -32.9799 63.9326 31.8736 -9.5605 -32.9797 -9.56055 -32.0416 GPRESSAVG: 4447800 -22.438 61.8807 -30.5728 63.2821 33.1817 -9.69252 -34.5771 -6.08624 -32.4379 TIMING: 4447800 CPU: 12923.7, 0.00291269/step Wall: 12923.7, 0.00291269/step, 0.446774 hours remaining, 207.781250 MB of memory in use. ENERGY: 4447800 765.9407 2108.8752 1960.8927 108.7106 -206071.3536 17813.1942 0.0000 0.0000 34057.9501 -149255.7901 297.4365 -183313.7402 -149162.7001 298.9967 -4.4287 27.3999 557112.3487 -7.2152 -7.2314 PRESSURE: 4448000 51.8808 142.579 73.4125 142.578 93.538 -103.497 73.4121 -103.498 -142.812 GPRESSURE: 4448000 80.1979 184.129 59.6724 109.622 144.811 -101.723 20.6721 -138.955 -134.405 PRESSAVG: 4448000 17.8663 14.9028 -8.1793 14.9028 -4.47763 43.791 -8.17933 43.7907 8.29527 GPRESSAVG: 4448000 18.3212 16.3549 -8.03131 15.4553 -5.79952 41.5639 -9.38228 42.5527 9.31426 TIMING: 4448000 CPU: 12924.3, 0.00291053/step Wall: 12924.3, 0.00291053/step, 0.446281 hours remaining, 207.781250 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: 4448000 742.2387 2041.0987 1936.4829 102.3800 -206460.4476 18100.6761 0.0000 0.0000 34325.2745 -149212.2966 299.7712 -183537.5711 -149116.6462 299.3131 0.8690 30.2013 557975.9622 7.2280 7.2786 PRESSURE: 4448200 95.9994 -9.26197 -150.32 -9.26372 -53.3065 43.0615 -150.32 43.0621 129.88 GPRESSURE: 4448200 144.921 -44.5684 -163.99 -10.0157 -49.817 110.121 -111.338 2.4402 168.466 PRESSAVG: 4448200 -34.2924 -0.773228 7.96484 -0.773238 20.5487 71.2873 7.96476 71.2875 -33.9415 GPRESSAVG: 4448200 -34.757 -1.70054 8.44082 -1.43652 20.3757 74.9663 7.82148 69.5365 -33.788 TIMING: 4448200 CPU: 12924.9, 0.00291276/step Wall: 12924.9, 0.00291277/step, 0.446462 hours remaining, 207.781250 MB of memory in use. ENERGY: 4448200 733.9936 2112.0601 1952.9204 103.6083 -206531.0705 18025.5307 0.0000 0.0000 34263.7785 -149339.1788 299.2341 -183602.9573 -149246.2543 298.5547 57.5243 87.8567 557334.8341 -15.8951 -16.0564 LDB: ============= START OF LOAD BALANCING ============== 12928.3 LDB: ============== END OF LOAD BALANCING =============== 12928.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12928.3 LDB: ============= START OF LOAD BALANCING ============== 12928.6 LDB: Largest compute 4848 load 0.029694 is 25.2% of average load 0.117753 LDB: Average compute 0.001734 is 1.5% of average load 0.117753 LDB: TIME 12928.6 LOAD: AVG 0.117753 MAX 0.183791 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.969 MB LDB: TIME 12928.6 LOAD: AVG 0.117753 MAX 0.183791 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.102 MB LDB: TIME 12928.6 LOAD: AVG 0.117753 MAX 0.183791 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12928.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12928.6 PRESSURE: 4448400 52.1146 173.478 -19.9137 173.477 -103.347 -6.37907 -19.9131 -6.37992 228.218 GPRESSURE: 4448400 73.3605 39.4972 -61.1232 150.825 -65.7681 -17.2098 2.62329 44.081 269.637 PRESSAVG: 4448400 54.7563 -32.6678 -23.472 -32.6678 -14.4233 6.57525 -23.472 6.57542 40.9305 GPRESSAVG: 4448400 55.9025 -36.2333 -23.3042 -31.388 -13.7495 5.13637 -21.9857 8.35559 39.1712 TIMING: 4448400 CPU: 12925.5, 0.00294456/step Wall: 12925.5, 0.00294456/step, 0.451172 hours remaining, 207.152344 MB of memory in use. ENERGY: 4448400 700.8594 2077.8929 1957.0829 125.3932 -206372.0250 17853.0217 0.0000 0.0000 34371.7341 -149286.0408 300.1769 -183657.7749 -149183.8265 299.2800 58.9954 92.4097 557202.0357 27.0878 27.1081 PRESSURE: 4448600 -222.002 96.8584 148.741 96.8595 -110.593 135.096 148.74 135.096 -187.94 GPRESSURE: 4448600 -255.461 93.953 147.685 61.5477 -57.9901 181.979 146.436 96.8878 -113.482 PRESSAVG: 4448600 -18.3556 4.94975 3.36846 4.94975 -3.20895 19.3078 3.36853 19.3078 -28.1513 GPRESSAVG: 4448600 -19.1773 8.42385 1.55082 3.27514 -3.20436 20.4369 3.80209 16.4478 -26.7187 TIMING: 4448600 CPU: 12926, 0.00292472/step Wall: 12926, 0.00292472/step, 0.44797 hours remaining, 207.355469 MB of memory in use. ENERGY: 4448600 717.2262 2132.7298 1953.5023 121.4245 -205994.2410 17554.3123 0.0000 0.0000 34333.3743 -149181.6716 299.8419 -183515.0459 -149092.8379 299.3508 -173.5114 -142.3113 558604.2818 -16.5719 -16.3668 PRESSURE: 4448800 91.2814 70.9123 -56.9529 70.9118 -232.355 1.25609 -56.9538 1.25465 -23.0081 GPRESSURE: 4448800 40.4468 26.7417 -33.4456 51.548 -113.54 -49.9444 -32.3829 91.5796 10.3865 PRESSAVG: 4448800 17.8386 3.49547 -5.61016 3.4955 -40.5566 30.909 -5.61009 30.909 8.58438 GPRESSAVG: 4448800 18.4816 1.3906 -3.61094 5.99187 -40.2644 28.9909 -4.39297 32.737 7.35802 TIMING: 4448800 CPU: 12926.6, 0.00292718/step Wall: 12926.6, 0.00292718/step, 0.448184 hours remaining, 207.355469 MB of memory in use. ENERGY: 4448800 751.3528 2047.3068 1990.2543 110.4038 -205821.7901 17640.4100 0.0000 0.0000 34030.7586 -149251.3037 297.1991 -183282.0624 -149156.5079 299.1965 -54.6940 -20.9022 558124.0265 -4.7112 -4.8083 PRESSURE: 4449000 90.748 -108.955 -4.60666 -108.955 -51.6904 -40.3673 -4.6069 -40.3664 -385.38 GPRESSURE: 4449000 127.836 -81.4717 -79.1107 -104.557 -44.1705 3.46237 -50.2769 -62.2409 -343.509 PRESSAVG: 4449000 19.9082 -1.48704 13.485 -1.48712 47.5454 -9.27387 13.485 -9.27386 -60.848 GPRESSAVG: 4449000 19.5233 0.278481 12.9837 -3.90503 47.1697 -7.17998 12.5361 -10.5569 -59.8238 TIMING: 4449000 CPU: 12927.2, 0.00291851/step Wall: 12927.2, 0.00291851/step, 0.446694 hours remaining, 207.355469 MB of memory in use. ENERGY: 4449000 745.9448 2163.1068 1976.0569 129.0522 -206288.4992 17720.8159 0.0000 0.0000 34483.0655 -149070.4570 301.1492 -183553.5225 -148976.5307 299.4014 -115.4408 -86.6145 557834.5167 2.2019 2.2898 PRESSURE: 4449200 74.1579 28.2171 29.2472 28.2172 230.321 96.3786 29.2486 96.3776 197.393 GPRESSURE: 4449200 151.861 -2.67795 65.2876 54.5938 197.687 83.8583 88.018 75.9993 251.713 PRESSAVG: 4449200 -17.9147 -42.145 -34.1108 -42.1449 18.233 -30.7537 -34.1107 -30.7537 -4.90115 GPRESSAVG: 4449200 -18.2561 -43.503 -32.1803 -42.598 18.5683 -32.7988 -34.0424 -28.3878 -4.75334 TIMING: 4449200 CPU: 12927.8, 0.00290272/step Wall: 12927.8, 0.00290272/step, 0.444117 hours remaining, 207.355469 MB of memory in use. ENERGY: 4449200 709.3932 2134.1219 1942.4152 109.4579 -206264.5950 18024.1863 0.0000 0.0000 34285.3514 -149059.6691 299.4225 -183345.0205 -148968.6047 299.3761 167.2903 200.4205 556378.0122 -1.5276 -1.4804 PRESSURE: 4449400 14.5044 -90.9681 75.2184 -90.9674 -92.6279 -107.262 75.2192 -107.263 -174.165 GPRESSURE: 4449400 95.0599 -152.39 50.26 -24.3639 -62.8544 6.04461 47.72 -139.955 -179.626 PRESSAVG: 4449400 -45.5365 3.29036 -35.1342 3.29033 28.583 -28.0866 -35.1341 -28.0865 25.2638 GPRESSAVG: 4449400 -46.171 2.83592 -36.3448 4.65676 28.8145 -27.8252 -35.0682 -27.9152 25.7459 TIMING: 4449400 CPU: 12928.4, 0.00292395/step Wall: 12928.4, 0.00292395/step, 0.447202 hours remaining, 207.355469 MB of memory in use. ENERGY: 4449400 753.3056 2059.1553 1941.2695 117.0920 -206242.6736 17784.2478 0.0000 0.0000 34339.9442 -149247.6592 299.8993 -183587.6035 -149148.6660 298.8617 -84.0961 -49.1401 556569.4476 2.7701 2.7965 PRESSURE: 4449600 -54.4758 29.3805 -82.25 29.3817 19.6477 62.5016 -82.2495 62.5012 -27.6611 GPRESSURE: 4449600 -63.3377 62.1014 -44.6266 11.6219 48.7418 -8.30418 -77.3785 99.7343 55.0674 PRESSAVG: 4449600 -2.27657 29.7855 -10.9701 29.7855 31.4734 9.71628 -10.9701 9.71639 -14.4823 GPRESSAVG: 4449600 -1.52301 29.6201 -8.18236 29.1492 31.0842 8.84789 -13.0207 9.33786 -15.0753 TIMING: 4449600 CPU: 12929, 0.00290143/step Wall: 12929, 0.00290143/step, 0.443597 hours remaining, 207.355469 MB of memory in use. ENERGY: 4449600 756.5215 2065.4530 1939.1538 113.9835 -206141.8467 17772.5683 0.0000 0.0000 34385.8458 -149108.3208 300.3001 -183494.1666 -149014.0067 298.6872 -20.8297 13.4905 557493.1697 4.9048 4.8286 PRESSURE: 4449800 -36.6512 4.35911 20.3757 4.36008 -19.7834 -29.4297 20.3769 -29.4291 56.3804 GPRESSURE: 4449800 -38.4638 30.3378 3.79045 5.76158 32.9373 -7.72377 -3.11716 9.51552 82.7674 PRESSAVG: 4449800 34.1315 14.114 -25.1766 14.114 -37.3619 45.353 -25.1765 45.353 -6.63416 GPRESSAVG: 4449800 33.4909 15.4591 -26.9762 13.7842 -36.7454 47.6789 -22.6387 42.3961 -6.14212 TIMING: 4449800 CPU: 12929.5, 0.00291559/step Wall: 12929.5, 0.00291559/step, 0.4456 hours remaining, 207.355469 MB of memory in use. ENERGY: 4449800 721.5096 2092.0308 1957.4353 108.0748 -205998.2552 17697.0637 0.0000 0.0000 34320.8835 -149101.2574 299.7328 -183422.1409 -149005.5848 299.4026 -0.0181 25.7470 557057.6505 -3.2882 -3.1322 PRESSURE: 4450000 -116.122 -85.467 172.764 -85.4683 179.934 10.5124 172.764 10.5103 19.0836 GPRESSURE: 4450000 -133.481 -121.503 155.606 -80.4641 224.432 4.40438 174.424 -10.5583 95.3169 PRESSAVG: 4450000 -17.3378 -12.1019 -42.3237 -12.102 23.9259 14.3366 -42.3238 14.3365 -4.75904 GPRESSAVG: 4450000 -17.4327 -10.7956 -42.8646 -12.9816 24.9558 16.3564 -42.1634 15.4749 -5.18185 TIMING: 4450000 CPU: 12930.1, 0.0029248/step Wall: 12930.1, 0.0029248/step, 0.446845 hours remaining, 207.355469 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: 4450000 764.6877 2079.3856 1949.3685 107.3803 -206196.8935 17824.2533 0.0000 0.0000 34513.1651 -148958.6531 301.4121 -183471.8181 -148861.0864 299.6115 27.6321 62.0892 557765.8556 0.6097 0.7804 PRESSURE: 4450200 217.735 -65.6784 38.6286 -65.6784 33.7348 -44.488 38.6292 -44.488 120.733 GPRESSURE: 4450200 263.145 -33.3248 16.2357 -107.482 88.7262 -47.8688 -1.8132 -27.4914 102.734 PRESSAVG: 4450200 -16.5278 -16.541 -18.6387 -16.541 -11.8134 12.8519 -18.6387 12.8519 69.1385 GPRESSAVG: 4450200 -15.4329 -18.6152 -20.0749 -16.0511 -12.7008 11.2064 -18.7285 11.5083 69.1326 TIMING: 4450200 CPU: 12930.7, 0.00290734/step Wall: 12930.7, 0.00290734/step, 0.444016 hours remaining, 207.355469 MB of memory in use. ENERGY: 4450200 729.1881 2121.3845 1945.4257 115.9226 -206174.1862 17904.5849 0.0000 0.0000 34393.4312 -148964.2493 300.3664 -183357.6805 -148861.0727 300.0643 124.0675 151.5350 556590.6526 13.5991 13.6663 PRESSURE: 4450400 33.6689 24.7543 118.904 24.7532 112.742 15.7133 118.904 15.7136 -106.568 GPRESSURE: 4450400 51.2464 -36.1473 152.978 50.6144 168.854 14.2134 92.4825 -9.96718 -89.2186 PRESSAVG: 4450400 39.3788 -21.0183 -47.3763 -21.0183 58.7661 -27.4398 -47.3762 -27.4397 -36.7338 GPRESSAVG: 4450400 38.6428 -20.3823 -45.8507 -19.7558 59.2798 -27.7477 -47.9592 -27.0253 -36.4568 TIMING: 4450400 CPU: 12931.3, 0.00292123/step Wall: 12931.3, 0.00292123/step, 0.445974 hours remaining, 207.355469 MB of memory in use. ENERGY: 4450400 778.6325 2052.8678 1978.2610 111.1177 -206383.0128 17947.7400 0.0000 0.0000 34430.1892 -149084.2046 300.6874 -183514.3937 -148987.3451 299.9974 13.2808 43.6272 556998.4976 20.4704 20.4886 PRESSURE: 4450600 -254.113 131.045 -274.805 131.047 28.4606 7.46891 -274.804 7.47074 -239.988 GPRESSURE: 4450600 -232.624 126.266 -299.633 167.664 52.169 -1.23145 -217.988 38.5157 -191.543 PRESSAVG: 4450600 5.46509 25.9842 22.8388 25.9842 26.2864 11.5499 22.8388 11.55 -71.7867 GPRESSAVG: 4450600 6.06829 26.04 22.5329 25.3772 25.3241 10.0772 25.434 12.8882 -71.9409 TIMING: 4450600 CPU: 12931.9, 0.00290896/step Wall: 12931.9, 0.00290896/step, 0.443939 hours remaining, 207.355469 MB of memory in use. ENERGY: 4450600 762.4388 2076.5781 1965.9789 106.6014 -205818.1892 17551.1688 0.0000 0.0000 34290.5431 -149064.8802 299.4678 -183355.4233 -148967.2951 299.7200 -155.2136 -123.9991 557708.5285 -13.3451 -13.5162 PRESSURE: 4450800 -8.77017 -122.461 -143.151 -122.461 37.6059 22.3865 -143.151 22.3866 120.519 GPRESSURE: 4450800 55.5482 -173.666 -116.887 -80.2121 83.4095 50.2647 -140.263 57.9101 118.597 PRESSAVG: 4450800 -8.61235 -13.0074 -16.9115 -13.0074 7.43387 64.8909 -16.9116 64.8909 -33.2407 GPRESSAVG: 4450800 -8.954 -14.7961 -16.8411 -13.1132 7.72377 66.3643 -19.7388 64.6682 -32.7269 TIMING: 4450800 CPU: 12932.5, 0.00293502/step Wall: 12932.5, 0.00293502/step, 0.447753 hours remaining, 207.355469 MB of memory in use. ENERGY: 4450800 747.8617 2066.3528 1944.7076 109.7002 -206276.6895 17944.4859 0.0000 0.0000 34243.8699 -149219.7115 299.0602 -183463.5813 -149124.6076 299.8571 49.7849 85.8517 557889.7987 -11.4731 -11.3191 PRESSURE: 4451000 -87.9562 -22.5676 -67.4426 -22.5677 47.5419 92.6297 -67.4424 92.6298 -65.9651 GPRESSURE: 4451000 -62.6374 -21.2308 -90.7321 -97.0631 115.741 80.0521 -118.884 58.9673 -74.4301 PRESSAVG: 4451000 -27.2058 8.52842 41.6792 8.52847 65.8213 64.3036 41.6791 64.3037 -55.9591 GPRESSAVG: 4451000 -27.9266 8.75233 41.6569 8.90415 66.5191 64.7572 41.3173 63.6773 -56.3832 TIMING: 4451000 CPU: 12933, 0.00288363/step Wall: 12933, 0.00288363/step, 0.439753 hours remaining, 207.355469 MB of memory in use. ENERGY: 4451000 764.4751 2113.5521 1956.6661 128.7513 -205816.7524 17592.6238 0.0000 0.0000 34160.5968 -149100.0871 298.3330 -183260.6839 -149004.1687 299.4745 -35.4598 -7.1088 558167.6565 -5.7812 -5.9302 PRESSURE: 4451200 -124.959 -88.1397 -31.8866 -88.1399 -190.194 110.913 -31.8864 110.914 -67.292 GPRESSURE: 4451200 -101.264 -63.4996 3.68329 -39.2568 -159.593 167.938 19.5436 109.209 -20.2944 PRESSAVG: 4451200 101.669 -15.3859 23.486 -15.3858 -25.1722 -16.9015 23.486 -16.9014 -27.621 GPRESSAVG: 4451200 100.361 -13.8689 23.0305 -16.7528 -24.016 -16.69 24.817 -16.8462 -27.2007 TIMING: 4451200 CPU: 12933.6, 0.00288499/step Wall: 12933.6, 0.00288499/step, 0.4398 hours remaining, 207.355469 MB of memory in use. ENERGY: 4451200 775.7784 2094.4707 1927.5337 112.9769 -205864.3969 17601.6028 0.0000 0.0000 34063.5577 -149288.4766 297.4855 -183352.0344 -149191.6207 299.1547 -127.4815 -93.7173 556094.1882 16.2918 16.3813 PRESSURE: 4451400 -172.324 -46.7389 55.533 -46.7377 213.387 50.7605 55.5329 50.7596 -100.022 GPRESSURE: 4451400 -128.836 -64.6151 126.545 -82.3661 215.899 -45.8842 -69.221 98.6428 -47.2116 PRESSAVG: 4451400 -38.9926 -1.23693 -23.0509 -1.23687 25.9117 50.0813 -23.051 50.0813 17.4678 GPRESSAVG: 4451400 -37.1797 -2.15655 -22.5318 0.264266 23.9061 49.8955 -23.8714 51.0538 17.9298 TIMING: 4451400 CPU: 12934.2, 0.00287805/step Wall: 12934.2, 0.00287805/step, 0.438583 hours remaining, 207.355469 MB of memory in use. ENERGY: 4451400 749.1456 2081.3522 1965.8680 105.9519 -206186.9002 17807.4826 0.0000 0.0000 34342.0099 -149135.0900 299.9173 -183477.0998 -149036.5155 299.0671 -19.6529 13.2840 557734.9755 1.4623 1.5521 PRESSURE: 4451600 71.5113 -56.8664 -39.9946 -56.8662 -13.4781 69.3312 -39.9962 69.3317 -241.877 GPRESSURE: 4451600 130.353 -13.5218 -23.195 -102.277 -42.6309 72.9527 -85.7514 27.977 -169.002 PRESSAVG: 4451600 22.5815 -42.5596 35.2464 -42.5597 58.6172 61.7316 35.2462 61.7316 -51.9501 GPRESSAVG: 4451600 21.3311 -42.3684 33.8346 -42.6637 58.9092 61.8298 35.8619 59.8502 -50.6948 TIMING: 4451600 CPU: 12934.8, 0.00290199/step Wall: 12934.8, 0.00290199/step, 0.442069 hours remaining, 207.355469 MB of memory in use. ENERGY: 4451600 719.5555 2154.5213 1946.7692 129.6435 -206146.3945 17646.1162 0.0000 0.0000 34566.4661 -148983.3228 301.8775 -183549.7888 -148884.8046 299.9640 -61.2812 -27.0932 557189.1587 9.7495 9.8485 PRESSURE: 4451800 -311.658 -38.0238 92.6944 -38.0236 -339.645 -34.7652 92.6931 -34.7656 -246.14 GPRESSURE: 4451800 -256.732 -88.2037 -4.68711 -84.6752 -312.701 28.0678 7.53645 -94.0247 -223.295 PRESSAVG: 4451800 -6.80762 -35.1545 -13.9361 -35.1545 -30.1184 -18.794 -13.9361 -18.7941 15.4903 GPRESSAVG: 4451800 -6.3352 -33.6675 -11.8047 -36.4873 -28.4863 -18.1893 -14.9116 -17.8093 13.6199 TIMING: 4451800 CPU: 12935.4, 0.00289948/step Wall: 12935.4, 0.00289948/step, 0.441526 hours remaining, 207.355469 MB of memory in use. ENERGY: 4451800 754.8620 2068.8361 1959.9188 103.8503 -205562.7712 17366.5331 0.0000 0.0000 34233.3037 -149075.4672 298.9680 -183308.7709 -148972.7629 299.8817 -299.1480 -264.2428 558711.8253 -7.1452 -7.0672 PRESSURE: 4452000 -60.8206 -156.15 -178.998 -156.149 126.1 17.5073 -178.996 17.5068 176.038 GPRESSURE: 4452000 -41.5517 -180.483 -177.201 -143.539 156.253 69.5709 -175.877 -23.6117 227.372 PRESSAVG: 4452000 22.3646 -83.3213 42.7571 -83.3213 -10.3356 -39.0108 42.7572 -39.0108 -14.9074 GPRESSAVG: 4452000 22.5485 -82.96 45.4417 -82.3765 -12.2808 -39.164 43.2682 -37.4583 -13.6523 TIMING: 4452000 CPU: 12935.9, 0.00288663/step Wall: 12935.9, 0.00288663/step, 0.439409 hours remaining, 207.355469 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: 4452000 754.8471 2081.6181 1959.6683 111.5650 -206439.5843 17870.8317 0.0000 0.0000 34349.9761 -149311.0780 299.9869 -183661.0541 -149207.3670 299.6849 80.4391 114.0244 556512.9348 -0.9594 -1.1282 PRESSURE: 4452200 239.955 65.9456 -46.7061 65.9447 -135.254 -101.465 -46.7055 -101.466 -213.32 GPRESSURE: 4452200 330.131 164.349 -22.9876 14.9558 -150.365 -99.1873 -93.8412 -115.749 -199.227 PRESSAVG: 4452200 22.5114 -9.67748 -5.50239 -9.67741 43.1024 29.1067 -5.50237 29.1068 -42.0241 GPRESSAVG: 4452200 22.6417 -10.2888 -8.56761 -9.90379 44.5635 29.3941 -5.70504 27.327 -43.5349 TIMING: 4452200 CPU: 12936.5, 0.00289684/step Wall: 12936.5, 0.00289684/step, 0.440802 hours remaining, 207.355469 MB of memory in use. ENERGY: 4452200 776.1066 2017.6806 1965.1049 127.3174 -206382.8510 17784.6174 0.0000 0.0000 34134.3123 -149577.7119 298.1034 -183712.0241 -149480.8222 298.2766 -36.2064 -6.4866 555996.7387 7.8632 7.8901 LDB: ============= START OF LOAD BALANCING ============== 12940 LDB: ============== END OF LOAD BALANCING =============== 12940 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12940 LDB: ============= START OF LOAD BALANCING ============== 12940.3 LDB: Largest compute 4848 load 0.029776 is 25.3% of average load 0.117745 LDB: Average compute 0.001741 is 1.5% of average load 0.117745 LDB: TIME 12940.3 LOAD: AVG 0.117745 MAX 0.179608 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 12940.3 LOAD: AVG 0.117745 MAX 0.179608 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: TIME 12940.3 LOAD: AVG 0.117745 MAX 0.179608 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.902 MB LDB: ============== END OF LOAD BALANCING =============== 12940.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12940.3 PRESSURE: 4452400 -65.435 25.4591 73.3204 25.4594 34.1177 -50.5533 73.3197 -50.5534 -77.1028 GPRESSURE: 4452400 -42.0403 -33.3248 51.0487 47.2071 79.8264 -6.23248 -5.74772 -153.243 -44.8898 PRESSAVG: 4452400 43.9642 -50.0348 30.8729 -50.0347 -25.0578 4.52387 30.873 4.52378 -15.6306 GPRESSAVG: 4452400 43.6412 -47.6786 30.1593 -49.3921 -25.2691 2.77964 31.1524 6.35956 -15.4578 TIMING: 4452400 CPU: 12937.1, 0.00295584/step Wall: 12937.1, 0.00295584/step, 0.449616 hours remaining, 206.093750 MB of memory in use. ENERGY: 4452400 760.6659 2114.2863 1990.6705 113.5019 -206417.8405 17793.9414 0.0000 0.0000 33994.2636 -149650.5109 296.8804 -183644.7745 -149561.5914 297.9868 -36.1400 -2.3679 557923.1345 1.0919 0.9714 PRESSURE: 4452600 173.687 -80.4171 7.26183 -80.4169 -24.4895 209.421 7.26248 209.418 80.0559 GPRESSURE: 4452600 187.496 -122.904 26.7956 -19.784 96.9926 156.97 -42.4852 223.004 44.2495 PRESSAVG: 4452600 43.3388 9.63864 4.42892 9.63865 -70.5526 -4.87988 4.42888 -4.88 12.3524 GPRESSAVG: 4452600 42.9128 7.62714 4.2344 12.2171 -70.6165 -3.78523 6.29441 -7.01112 13.2517 TIMING: 4452600 CPU: 12937.7, 0.00289488/step Wall: 12937.7, 0.00289488/step, 0.440182 hours remaining, 206.500000 MB of memory in use. ENERGY: 4452600 729.6450 2055.1906 1957.2466 115.6468 -206745.7722 18035.2488 0.0000 0.0000 34224.6991 -149628.0952 298.8928 -183852.7943 -149539.9233 297.9319 76.4177 109.5792 558317.1277 -4.9538 -4.8174 PRESSURE: 4452800 -30.825 39.6197 -125.9 39.6198 162.704 -64.715 -125.9 -64.7155 100.104 GPRESSURE: 4452800 -51.8807 1.95236 -169.33 113.134 209.884 -66.3539 -78.2075 4.82194 176.467 PRESSAVG: 4452800 28.7671 -19.2533 -8.24533 -19.2533 -36.2976 5.26861 -8.24533 5.26863 3.16665 GPRESSAVG: 4452800 28.755 -21.5028 -8.52742 -17.6014 -36.789 3.59386 -9.48612 4.23258 3.7004 TIMING: 4452800 CPU: 12938.3, 0.00291608/step Wall: 12938.3, 0.00291608/step, 0.443245 hours remaining, 206.500000 MB of memory in use. ENERGY: 4452800 733.0887 2099.1324 1959.3123 119.2948 -206697.6166 17930.2589 0.0000 0.0000 34294.0504 -149562.4791 299.4985 -183856.5295 -149469.0918 298.0593 77.3274 111.4898 557710.8199 -1.4546 -1.4445 PRESSURE: 4453000 -373.758 6.5602 -93.9455 6.56049 -218.271 -164.024 -93.9459 -164.023 -312.164 GPRESSURE: 4453000 -303.048 -22.0641 -79.1965 44.8434 -211.913 -184.865 -65.9848 -99.6125 -286.255 PRESSAVG: 4453000 40.718 31.0137 8.16659 31.0137 -33.1226 1.10994 8.16659 1.11005 -1.94506 GPRESSAVG: 4453000 40.7148 32.5422 7.90576 28.6176 -32.9373 5.13697 8.11231 4.63173 -2.12367 TIMING: 4453000 CPU: 12938.8, 0.0029031/step Wall: 12938.8, 0.00290309/step, 0.441109 hours remaining, 206.570312 MB of memory in use. ENERGY: 4453000 731.2379 2086.5567 1946.8976 104.0679 -205817.1145 17419.9064 0.0000 0.0000 33972.1392 -149556.3089 296.6871 -183528.4481 -149463.1918 298.3658 -301.3975 -267.0721 558161.0442 1.8835 1.8846 PRESSURE: 4453200 43.0378 -11.1084 -16.2284 -11.107 -133.567 -66.4172 -16.2287 -66.4154 25.7316 GPRESSURE: 4453200 76.4593 63.4234 -103.393 -100.114 -57.1263 -109.377 -113.658 -4.13949 13.0966 PRESSAVG: 4453200 66.8854 -68.2696 11.1556 -68.2697 -70.3206 -58.2373 11.1556 -58.2372 -41.0927 GPRESSAVG: 4453200 66.8343 -67.9236 13.1186 -68.8851 -70.3965 -61.8842 11.5149 -58.9577 -41.079 TIMING: 4453200 CPU: 12939.4, 0.00291273/step Wall: 12939.4, 0.00291273/step, 0.442411 hours remaining, 206.570312 MB of memory in use. ENERGY: 4453200 705.5113 2179.1328 1962.7658 107.3559 -206472.8865 17858.8053 0.0000 0.0000 33989.2315 -149670.0838 296.8364 -183659.3153 -149572.8350 297.5204 -21.5993 10.8099 557581.4054 -14.8426 -14.8804 PRESSURE: 4453400 -83.5073 0.0135597 -50.8393 0.0138829 -87.5315 -14.5565 -50.8403 -14.5562 -128.743 GPRESSURE: 4453400 -57.7429 -30.3891 7.04489 69.9872 -9.23766 -0.233348 -63.151 22.8342 -130.79 PRESSAVG: 4453400 14.6861 -19.6426 -33.7429 -19.6426 -23.2956 -0.56844 -33.743 -0.56834 7.05032 GPRESSAVG: 4453400 14.4692 -19.3832 -32.8063 -20.0464 -23.3246 1.05536 -34.0256 -0.26219 6.72064 TIMING: 4453400 CPU: 12940, 0.00292119/step Wall: 12940, 0.00292119/step, 0.443534 hours remaining, 206.570312 MB of memory in use. ENERGY: 4453400 752.9291 2096.9588 1934.7055 103.5773 -206415.7877 17807.1087 0.0000 0.0000 34215.3819 -149505.1263 298.8114 -183720.5082 -149405.9265 298.4697 -99.9273 -65.9234 557478.6935 -0.5197 -0.7116 PRESSURE: 4453600 -46.3259 140.433 16.9244 140.434 -111.896 -143.555 16.9253 -143.553 52.056 GPRESSURE: 4453600 -9.18288 197.333 48.3743 88.9117 -68.642 -166.515 35.3595 -128.638 92.7274 PRESSAVG: 4453600 9.86383 -25.3892 30.3912 -25.3891 -14.8757 9.27876 30.3913 9.27867 -14.401 GPRESSAVG: 4453600 11.8021 -26.6598 30.2567 -24.5036 -15.7335 8.27437 28.2125 8.07151 -15.4723 TIMING: 4453600 CPU: 12940.6, 0.0028847/step Wall: 12940.6, 0.0028847/step, 0.437834 hours remaining, 206.570312 MB of memory in use. ENERGY: 4453600 710.5924 2030.0370 1954.0851 106.2551 -206440.8900 17899.1059 0.0000 0.0000 34187.7427 -149553.0718 298.5701 -183740.8146 -149453.3342 298.3565 -35.3885 4.9675 558274.4915 -6.4710 -6.4679 PRESSURE: 4453800 -83.9466 -119.964 10.2303 -119.964 -219.397 158.358 10.2291 158.36 -296.814 GPRESSURE: 4453800 -48.2073 -41.8365 3.95951 -134.166 -232.976 250.932 3.68586 193.775 -225.766 PRESSAVG: 4453800 -27.2419 40.1625 -48.8024 40.1624 49.0827 19.3341 -48.8023 19.3342 -27.2731 GPRESSAVG: 4453800 -29.0837 41.7578 -50.4907 39.838 49.8682 20.8807 -46.5358 19.5659 -26.3488 TIMING: 4453800 CPU: 12941.2, 0.00290469/step Wall: 12941.2, 0.00290469/step, 0.440707 hours remaining, 206.570312 MB of memory in use. ENERGY: 4453800 791.3484 2115.6239 1942.7283 112.8871 -206618.4719 17859.9313 0.0000 0.0000 34185.0479 -149610.9050 298.5465 -183795.9529 -149515.0769 298.2798 -200.0525 -168.9830 557687.5476 -1.8108 -1.8548 PRESSURE: 4454000 -203.835 -145.617 56.1988 -145.617 -384.261 171.386 56.1991 171.387 -272.234 GPRESSURE: 4454000 -146.109 -102.531 62.3785 -125.775 -368.377 199.75 95.8331 120.082 -248.783 PRESSAVG: 4454000 4.94098 8.34201 -48.0581 8.34209 17.0814 18.6246 -48.0581 18.6247 -43.0427 GPRESSAVG: 4454000 5.98879 6.62797 -49.274 8.77101 16.4486 20.3939 -47.842 18.9607 -43.39 TIMING: 4454000 CPU: 12941.7, 0.002895/step Wall: 12941.7, 0.002895/step, 0.439075 hours remaining, 206.570312 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: 4454000 696.4612 2105.3596 1963.0464 115.4505 -205879.1656 17408.1097 0.0000 0.0000 34036.6917 -149554.0464 297.2509 -183590.7382 -149452.4005 297.5852 -286.7764 -254.4229 558871.6510 -7.0068 -6.9842 PRESSURE: 4454200 -98.7759 26.8178 114.795 26.8167 -21.137 85.96 114.795 85.9612 -63.9637 GPRESSURE: 4454200 -114.487 -37.1496 134.691 59.1548 38.3694 56.0393 67.5394 79.8351 -16.6423 PRESSAVG: 4454200 -96.7301 -24.7936 0.963873 -24.7935 -2.70123 -18.9208 0.963907 -18.9208 78.0854 GPRESSAVG: 4454200 -96.7397 -24.8965 3.18837 -25.1187 -2.19406 -20.5118 -0.657008 -19.541 78.0455 TIMING: 4454200 CPU: 12942.3, 0.00290962/step Wall: 12942.3, 0.00290962/step, 0.44113 hours remaining, 206.570312 MB of memory in use. ENERGY: 4454200 756.5859 2105.1393 1942.6738 121.6998 -206183.8193 17813.4406 0.0000 0.0000 33992.6205 -149451.6594 296.8660 -183444.2799 -149365.8589 297.3721 -61.2922 -30.9198 558465.5293 -7.1153 -6.9627 PRESSURE: 4454400 -53.4362 -55.81 75.933 -55.8106 -2.95116 28.5485 75.9328 28.549 62.5198 GPRESSURE: 4454400 -32.1824 -34.1389 99.3284 -58.6802 41.3355 98.0921 -10.1429 -24.477 97.3985 PRESSAVG: 4454400 86.9737 -38.4371 -21.063 -38.4371 -31.0692 -30.4548 -21.0629 -30.4548 -31.5928 GPRESSAVG: 4454400 87.32 -37.4378 -21.7363 -39.381 -31.1759 -30.8874 -19.9753 -31.6179 -31.695 TIMING: 4454400 CPU: 12942.9, 0.00291225/step Wall: 12942.9, 0.00291225/step, 0.441368 hours remaining, 206.570312 MB of memory in use. ENERGY: 4454400 767.4611 2055.0296 1962.3135 119.1457 -206441.1811 17831.8946 0.0000 0.0000 34089.7778 -149615.5589 297.7145 -183705.3367 -149516.6432 298.0043 2.0441 35.5172 557121.1453 8.1039 8.1497 PRESSURE: 4454600 138.139 -89.5161 -16.8906 -89.5168 -163.954 89.4019 -16.8896 89.4022 90.7621 GPRESSURE: 4454600 224.039 -199.618 -22.4864 -89.6291 -131.832 183.871 -91.4121 76.72 68.9803 PRESSAVG: 4454600 89.1654 -53.7484 -24.0336 -53.7485 -34.976 35.9214 -24.0337 35.9214 6.44417 GPRESSAVG: 4454600 90.3147 -54.815 -24.2165 -53.6299 -35.7037 36.7113 -26.4107 36.1707 5.80866 TIMING: 4454600 CPU: 12943.5, 0.00290719/step Wall: 12943.5, 0.00290719/step, 0.440439 hours remaining, 206.570312 MB of memory in use. ENERGY: 4454600 746.7220 2074.0330 1954.2975 111.3112 -206670.1703 18031.8461 0.0000 0.0000 34104.9805 -149646.9800 297.8473 -183751.9605 -149558.0704 297.4087 21.6493 53.7290 556461.6661 20.2112 20.1399 PRESSURE: 4454800 -54.2916 103.12 -99.3919 103.122 -191.211 7.29418 -99.3916 7.29599 172.395 GPRESSURE: 4454800 8.00584 143.443 -111.906 -7.81746 -192.712 -19.4415 -198.428 -57.7895 212.59 PRESSAVG: 4454800 58.6443 -69.0366 -35.1922 -69.0365 -108.459 6.57792 -35.1922 6.57793 12.8562 GPRESSAVG: 4454800 56.9912 -67.5411 -33.4557 -67.6057 -107.247 5.32132 -34.8463 8.66118 13.2294 TIMING: 4454800 CPU: 12944.1, 0.00290066/step Wall: 12944.1, 0.00290066/step, 0.439289 hours remaining, 206.570312 MB of memory in use. ENERGY: 4454800 758.3827 2098.8637 1954.7494 111.5091 -206516.6751 17863.6230 0.0000 0.0000 34083.1115 -149646.4356 297.6563 -183729.5471 -149554.9973 298.0779 -24.3692 9.2946 556366.7894 -12.3195 -12.3420 PRESSURE: 4455000 121.988 76.9736 80.2265 76.974 -5.05239 9.04049 80.2253 9.04102 29.6594 GPRESSURE: 4455000 114.81 55.0876 163.635 84.2281 40.3875 -70.6055 119.106 -3.40273 93.2535 PRESSAVG: 4455000 73.0359 40.4444 -31.9495 40.4445 -44.9229 70.3274 -31.9495 70.3274 32.6529 GPRESSAVG: 4455000 74.0072 39.6401 -31.319 38.8681 -44.9832 70.7882 -31.3442 67.2433 31.8986 TIMING: 4455000 CPU: 12944.6, 0.0028839/step Wall: 12944.6, 0.0028839/step, 0.43659 hours remaining, 206.570312 MB of memory in use. ENERGY: 4455000 717.1332 2114.8562 1982.9015 115.8328 -206437.3386 17804.6892 0.0000 0.0000 34163.5441 -149538.3816 298.3587 -183701.9258 -149445.8760 298.8592 48.8651 82.8171 557182.4740 20.2553 20.3075 PRESSURE: 4455200 -219.528 69.5874 42.6239 69.5881 -135.429 -67.9411 42.6228 -67.9402 -231.438 GPRESSURE: 4455200 -139.895 97.749 27.6107 67.0035 -122.618 -153.941 87.5324 69.7733 -223.013 PRESSAVG: 4455200 -27.5877 -8.31283 -28.1245 -8.31286 -50.2612 8.90217 -28.1244 8.90211 50.2889 GPRESSAVG: 4455200 -27.6298 -9.31452 -29.4349 -6.36371 -50.3903 10.5461 -27.3125 9.71871 50.1845 TIMING: 4455200 CPU: 12945.2, 0.00289492/step Wall: 12945.2, 0.00289492/step, 0.438097 hours remaining, 206.570312 MB of memory in use. ENERGY: 4455200 767.9181 2040.6582 1962.1380 100.1021 -206027.6022 17682.4823 0.0000 0.0000 34113.0482 -149361.2553 297.9177 -183474.3035 -149268.0569 298.6386 -195.4650 -161.8420 558576.1909 -9.1867 -9.2785 PRESSURE: 4455400 2.48994 -12.0434 -83.7983 -12.0438 -21.8957 -159.604 -83.7987 -159.604 57.7627 GPRESSURE: 4455400 35.1429 2.30197 -51.3151 -34.2196 -21.837 -144.006 -82.2662 -119.416 120.16 PRESSAVG: 4455400 -18.774 5.40655 7.14056 5.40659 -7.34447 -1.44774 7.14053 -1.44766 19.8513 GPRESSAVG: 4455400 -19.3585 5.44257 6.92613 5.80484 -8.29287 -1.66195 8.67343 -1.43013 21.2715 TIMING: 4455400 CPU: 12945.8, 0.00288724/step Wall: 12945.8, 0.00288724/step, 0.436775 hours remaining, 206.570312 MB of memory in use. ENERGY: 4455400 746.5361 2064.6257 1969.4750 118.2947 -206328.4224 17841.1640 0.0000 0.0000 34381.9459 -149206.3809 300.2661 -183588.3268 -149103.0472 299.3421 12.7857 44.4886 558079.3867 -2.0891 -2.1266 PRESSURE: 4455600 -276.507 -23.9875 86.0095 -23.9871 -19.7613 3.40803 86.0098 3.40809 203.285 GPRESSURE: 4455600 -154.485 -103.514 48.5213 -32.8029 -27.4921 -2.73633 67.8263 -8.58471 185.365 PRESSAVG: 4455600 3.50171 26.5147 -21.6053 26.5148 -6.79201 60.8632 -21.6054 60.8632 23.8806 GPRESSAVG: 4455600 4.15865 27.7091 -23.4037 25.6202 -6.61669 58.9075 -22.5357 62.4769 23.389 TIMING: 4455600 CPU: 12946.4, 0.00289172/step Wall: 12946.4, 0.00289172/step, 0.437293 hours remaining, 206.570312 MB of memory in use. ENERGY: 4455600 756.3968 2084.3092 1960.7833 112.6138 -206666.6443 18102.9051 0.0000 0.0000 34373.2941 -149276.3420 300.1905 -183649.6361 -149184.9290 299.5825 -30.9946 1.1292 558249.6863 6.8634 6.9770 PRESSURE: 4455800 179.114 140 -120.589 140 -252.12 28.5603 -120.589 28.5603 -61.0888 GPRESSURE: 4455800 161.319 87.648 -71.7423 77.0827 -207.299 66.6589 -111.413 -29.6559 -4.77815 PRESSAVG: 4455800 -11.8832 -24.7408 -15.121 -24.7408 -33.9359 29.4646 -15.121 29.4644 38.8729 GPRESSAVG: 4455800 -13.4682 -25.5661 -12.0239 -26.0668 -32.4574 33.7315 -15.0696 25.5954 38.3816 TIMING: 4455800 CPU: 12947, 0.00291519/step Wall: 12947, 0.00291519/step, 0.44068 hours remaining, 206.570312 MB of memory in use. ENERGY: 4455800 734.1193 2112.1512 1947.8276 110.4328 -206771.3559 17992.2771 0.0000 0.0000 34451.2178 -149423.3301 300.8711 -183874.5480 -149329.0976 298.9228 -44.6983 -16.9195 558546.2256 -2.3154 -2.5146 PRESSURE: 4456000 -180.781 -9.1673 -77.7847 -9.16729 -206.603 -46.4098 -77.7847 -46.4092 155.979 GPRESSURE: 4456000 -136.211 -18.443 -93.3988 -2.37659 -182.913 -18.0363 13.6334 -141.666 182.176 PRESSAVG: 4456000 28.161 26.1828 -26.938 26.1828 -18.8787 0.449108 -26.9381 0.44919 -10.4872 GPRESSAVG: 4456000 28.6448 28.1496 -28.999 25.8764 -20.3691 -2.01588 -27.1591 2.66127 -10.2878 TIMING: 4456000 CPU: 12947.5, 0.0029051/step Wall: 12947.5, 0.0029051/step, 0.438992 hours remaining, 206.570312 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: 4456000 779.9272 2014.7354 1980.1207 106.8023 -206156.5261 17967.7195 0.0000 0.0000 34093.2796 -149213.9415 297.7451 -183307.2210 -149116.3760 299.1468 -77.1351 -45.6493 559228.7708 -0.4016 -0.6707 PRESSURE: 4456200 -257.333 -152.474 74.2842 -152.475 -173.432 -253.043 74.2832 -253.044 -222.653 GPRESSURE: 4456200 -204.918 -156.9 57.4953 -96.0516 -192.525 -221.3 78.29 -234.424 -167.705 PRESSAVG: 4456200 26.3404 14.5445 22.6811 14.5445 -36.4957 22.33 22.6811 22.33 -17.9396 GPRESSAVG: 4456200 26.6647 11.9882 24.3538 16.9407 -36.4749 22.6416 22.4148 21.7194 -18.1488 TIMING: 4456200 CPU: 12948.1, 0.00290534/step Wall: 12948.1, 0.00290534/step, 0.438868 hours remaining, 206.570312 MB of memory in use. ENERGY: 4456200 785.2061 2115.5381 1965.6668 102.8188 -205831.2935 17532.4496 0.0000 0.0000 34378.1413 -148951.4729 300.2329 -183329.6142 -148854.7145 299.5775 -217.8062 -188.3829 558579.0013 -9.3650 -9.3197 LDB: ============= START OF LOAD BALANCING ============== 12951.6 LDB: ============== END OF LOAD BALANCING =============== 12951.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12951.6 LDB: ============= START OF LOAD BALANCING ============== 12951.9 LDB: Largest compute 4848 load 0.031322 is 26.6% of average load 0.117713 LDB: Average compute 0.001735 is 1.5% of average load 0.117713 LDB: TIME 12951.9 LOAD: AVG 0.117713 MAX 0.181255 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.637 MB LDB: TIME 12951.9 LOAD: AVG 0.117713 MAX 0.181255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: TIME 12951.9 LOAD: AVG 0.117713 MAX 0.181255 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: ============== END OF LOAD BALANCING =============== 12951.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12951.9 PRESSURE: 4456400 -225.626 21.8072 -144.096 21.808 -63.8807 -49.5624 -144.095 -49.5612 49.5973 GPRESSURE: 4456400 -240.037 68.515 -163.034 44.2679 -5.10345 -11.4744 -81.3235 -30.4886 102.3 PRESSAVG: 4456400 -4.35128 3.98669 17.9762 3.98666 -33.9315 -31.1325 17.9763 -31.1325 -17.2751 GPRESSAVG: 4456400 -4.52717 3.74355 16.7173 1.86654 -33.5422 -32.2246 20.2826 -29.8132 -17.7619 TIMING: 4456400 CPU: 12948.7, 0.00296199/step Wall: 12948.7, 0.00296199/step, 0.44726 hours remaining, 207.097656 MB of memory in use. ENERGY: 4456400 754.3314 2062.6389 1991.6137 119.7568 -205934.2861 17655.7051 0.0000 0.0000 34382.0032 -148968.2370 300.2666 -183350.2402 -148868.3212 299.8866 -79.9698 -47.6133 559397.5889 -18.5193 -18.6104 PRESSURE: 4456600 171.726 -49.939 109.826 -49.9392 10.1425 -138.768 109.826 -138.769 176.276 GPRESSURE: 4456600 257.256 24.8387 23.6006 -23.9253 -11.251 -167.475 165.461 -104.755 205.13 PRESSAVG: 4456600 72.6325 23.3507 14.8842 23.3507 6.63977 -15.1112 14.8841 -15.1113 -54.3549 GPRESSAVG: 4456600 74.1845 24.1354 15.4365 24.3071 5.50696 -14.9089 13.4166 -15.5271 -55.1452 TIMING: 4456600 CPU: 12949.3, 0.0028875/step Wall: 12949.3, 0.0028875/step, 0.435852 hours remaining, 207.097656 MB of memory in use. ENERGY: 4456600 749.0882 2069.9941 1964.1352 115.7790 -206364.2978 17995.6763 0.0000 0.0000 34347.2034 -149122.4217 299.9627 -183469.6251 -149026.0720 299.8084 119.3816 150.3782 556957.6857 8.3058 8.1821 PRESSURE: 4456800 41.9193 -18.2216 56.0685 -18.2211 332.789 9.2459 56.0686 9.24755 219.034 GPRESSURE: 4456800 83.4484 -9.27278 28.767 -117.729 367.903 3.35581 150.731 -96.6093 236.13 PRESSAVG: 4456800 35.2849 61.5097 -29.4382 61.5097 19.7654 -16.2149 -29.4382 -16.2149 -55.3357 GPRESSAVG: 4456800 34.3994 61.7556 -29.8298 60.1102 20.5427 -15.0511 -28.8746 -17.3194 -54.7718 TIMING: 4456800 CPU: 12949.9, 0.00291167/step Wall: 12949.9, 0.00291167/step, 0.439339 hours remaining, 207.097656 MB of memory in use. ENERGY: 4456800 679.6879 2056.5205 1957.7717 113.7074 -206126.7050 17948.8947 0.0000 0.0000 34391.1745 -148978.9483 300.3467 -183370.1227 -148877.7502 299.7721 197.9141 229.1605 556734.5187 -0.0951 0.0568 PRESSURE: 4457000 89.5897 -4.6411 8.39031 -4.64024 3.03389 68.9107 8.38969 68.9098 94.9193 GPRESSURE: 4457000 127.966 -14.2427 22.6078 14.3388 -6.08434 108.868 -46.5582 31.4767 151.064 PRESSAVG: 4457000 30.2444 47.4841 -4.62117 47.4842 -37.3266 -30.0111 -4.62131 -30.0111 21.7684 GPRESSAVG: 4457000 29.8044 48.5846 -5.57493 46.91 -37.3605 -31.7143 -5.17275 -30.3934 22.0887 TIMING: 4457000 CPU: 12950.5, 0.0028999/step Wall: 12950.5, 0.0028999/step, 0.437401 hours remaining, 207.097656 MB of memory in use. ENERGY: 4457000 733.7185 2088.7296 1954.8318 109.4076 -206094.5270 18064.2473 0.0000 0.0000 34203.5849 -148940.0072 298.7084 -183143.5922 -148840.0210 299.8756 62.5143 90.9820 558686.6228 4.8954 4.8442 PRESSURE: 4457200 -129.53 136.933 -131.575 136.932 -100.082 75.4645 -131.574 75.4636 -194.063 GPRESSURE: 4457200 -48.7331 93.3516 -228.254 57.4727 -97.5398 77.4918 -75.6689 40.9039 -192.328 PRESSAVG: 4457200 13.8985 -18.1812 -15.2543 -18.1813 53.4676 19.4497 -15.2543 19.4498 -37.0995 GPRESSAVG: 4457200 13.9585 -17.6513 -14.6191 -18.7018 52.8201 20.6683 -16.8828 21.6784 -36.9568 TIMING: 4457200 CPU: 12951, 0.00289406/step Wall: 12951, 0.00289406/step, 0.436359 hours remaining, 207.097656 MB of memory in use. ENERGY: 4457200 696.1977 2127.5968 1967.5650 111.6430 -206045.3786 17619.3566 0.0000 0.0000 34427.3055 -149095.7141 300.6622 -183523.0196 -148991.2336 299.5858 -141.2249 -112.8670 558552.2352 10.0888 9.9406 PRESSURE: 4457400 193.364 28.8791 82.0792 28.8801 234.868 101.01 82.0793 101.011 118.767 GPRESSURE: 4457400 157.687 -26.3155 95.3497 48.5253 286.041 115.969 21.2011 74.2967 199.381 PRESSAVG: 4457400 -41.9082 -1.46256 -20.6377 -1.46247 45.5484 62.7644 -20.6377 62.7644 0.0713851 GPRESSAVG: 4457400 -42.9233 -2.91569 -19.3052 -0.707061 46.8114 59.9065 -21.2763 62.1645 -0.73762 TIMING: 4457400 CPU: 12951.6, 0.0029252/step Wall: 12951.6, 0.0029252/step, 0.440892 hours remaining, 207.156250 MB of memory in use. ENERGY: 4457400 743.7925 2092.0917 1977.0252 107.3787 -206223.1388 18125.0041 0.0000 0.0000 34013.9876 -149163.8590 297.0526 -183177.8466 -149068.8279 299.9447 182.3330 214.3696 556862.7957 1.2372 1.0502 PRESSURE: 4457600 -303.443 94.3918 30.306 94.3921 -196.857 25.6887 30.305 25.6878 -399.48 GPRESSURE: 4457600 -238.059 59.632 32.6399 66.5679 -208.82 -56.6389 83.0834 -9.30709 -341.814 PRESSAVG: 4457600 -106.777 66.984 38.8939 66.984 69.226 33.9085 38.894 33.9085 8.35203 GPRESSAVG: 4457600 -106.225 66.112 37.8018 67.0191 68.063 34.8147 42.1307 33.6671 8.81906 TIMING: 4457600 CPU: 12952.2, 0.00292939/step Wall: 12952.2, 0.00292939/step, 0.441361 hours remaining, 207.390625 MB of memory in use. ENERGY: 4457600 803.0594 2026.7511 1956.7027 119.0556 -206087.1195 17649.2736 0.0000 0.0000 34462.8610 -149069.4160 300.9727 -183532.2771 -148974.7125 298.8957 -299.9267 -262.8979 558866.1080 -9.7329 -9.7810 PRESSURE: 4457800 300.75 6.82036 92.505 6.82098 422.827 191.4 92.5043 191.399 206.959 GPRESSURE: 4457800 410.055 -27.0066 72.563 30.9025 366.405 134.5 93.1768 117.587 247.463 PRESSAVG: 4457800 54.4284 8.89734 1.77974 8.89724 5.39409 9.968 1.77967 9.96808 -66.4162 GPRESSAVG: 4457800 56.2059 9.87615 0.350247 6.59855 4.98184 10.1537 0.141145 10.116 -67.7188 TIMING: 4457800 CPU: 12952.8, 0.00287414/step Wall: 12952.8, 0.00287414/step, 0.432877 hours remaining, 207.390625 MB of memory in use. ENERGY: 4457800 765.4539 2037.9059 1981.2149 112.4579 -206434.0148 18329.1035 0.0000 0.0000 34266.8507 -148941.0281 299.2609 -183207.8787 -148843.7602 298.9535 310.1784 341.3078 557822.7923 -2.1979 -2.1770 PRESSURE: 4458000 -193.654 -173.566 113.233 -173.566 -233.349 -151.447 113.232 -151.447 -103.761 GPRESSURE: 4458000 -150.224 -183.709 71.0759 -218.784 -199.855 -38.8996 67.0703 -187.215 -92.9739 PRESSAVG: 4458000 -22.1506 -26.397 60.1895 -26.397 97.4331 -30.0999 60.1894 -30.0998 -31.8775 GPRESSAVG: 4458000 -24.071 -25.3916 59.442 -25.0549 99.0526 -30.8645 60.2848 -28.4647 -31.304 TIMING: 4458000 CPU: 12953.4, 0.00288899/step Wall: 12953.4, 0.00288899/step, 0.434954 hours remaining, 207.390625 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: 4458000 772.8305 2095.1873 1973.1075 117.1827 -205869.5964 17648.3172 0.0000 0.0000 34265.7590 -148997.2122 299.2514 -183262.9712 -148906.1459 299.3291 -176.9211 -147.6843 559338.4701 14.4683 14.5592 PRESSURE: 4458200 -95.1573 176.737 -68.4981 176.737 -151.07 -18.0103 -68.4985 -18.0093 -123.877 GPRESSURE: 4458200 -74.5572 78.4018 -68.7028 249.334 -108.623 97.4408 -39.5502 -65.5247 -92.4351 PRESSAVG: 4458200 -33.109 7.0929 34.6202 7.09285 36.6692 -7.06698 34.6204 -7.067 26.0304 GPRESSAVG: 4458200 -33.0484 5.55886 37.549 8.83226 36.5882 -4.84442 35.1011 -7.95385 26.0386 TIMING: 4458200 CPU: 12953.9, 0.00290708/step Wall: 12953.9, 0.00290708/step, 0.437515 hours remaining, 207.390625 MB of memory in use. ENERGY: 4458200 757.8535 2107.5034 1961.0115 100.8102 -206172.3749 17786.7226 0.0000 0.0000 34335.7506 -149122.7232 299.8626 -183458.4738 -149024.8420 299.2317 -123.3680 -91.8719 559304.5620 9.8635 9.8595 PRESSURE: 4458400 90.6113 0.197392 -40.5383 0.195975 -185.551 35.1412 -40.5392 35.1408 -128.613 GPRESSURE: 4458400 152.113 -9.48567 -50.4833 74.1515 -102.274 13.8842 -10.5703 129.185 -167.781 PRESSAVG: 4458400 3.35876 -3.82095 26.1528 -3.82088 -5.34339 -38.4262 26.1527 -38.4261 8.06941 GPRESSAVG: 4458400 3.3068 -4.49083 26.2345 -4.39254 -5.12348 -40.0595 24.4144 -38.7021 8.80127 TIMING: 4458400 CPU: 12954.5, 0.00291672/step Wall: 12954.5, 0.00291672/step, 0.438804 hours remaining, 207.390625 MB of memory in use. ENERGY: 4458400 750.6635 2074.9427 1963.5764 113.3420 -205859.6222 17620.5831 0.0000 0.0000 34087.2922 -149249.2223 297.6928 -183336.5145 -149167.0118 298.3945 -74.5174 -39.3140 558469.6390 2.0283 2.3282 PRESSURE: 4458600 66.5695 -89.1872 49.5038 -89.1875 -204.766 -0.885236 49.5046 -0.884681 5.19099 GPRESSURE: 4458600 95.5321 -34.3192 103.495 -94.5273 -200.492 47.6736 49.7313 10.9493 58.4408 PRESSAVG: 4458600 6.45425 -37.2387 28.065 -37.2387 44.0818 10.6243 28.0651 10.6243 -32.68 GPRESSAVG: 4458600 5.54143 -34.8683 24.8275 -38.5542 43.5352 11.1953 30.1419 10.4793 -31.527 TIMING: 4458600 CPU: 12955.1, 0.00289373/step Wall: 12955.1, 0.00289373/step, 0.435185 hours remaining, 207.390625 MB of memory in use. ENERGY: 4458600 760.5892 2065.9985 1964.5087 104.8893 -206001.4108 17672.8968 0.0000 0.0000 34329.9288 -149102.5994 299.8118 -183432.5282 -149007.5171 298.1828 -44.3351 -15.5065 558064.2601 5.9520 5.8499 PRESSURE: 4458800 -84.7713 -20.2163 126.126 -20.2158 -167.132 41.9096 126.126 41.9094 -282.324 GPRESSURE: 4458800 -12.2021 8.68756 27.9931 -89.3381 -199.02 163.407 135.638 -27.8065 -236.167 PRESSAVG: 4458800 51.9317 42.0116 37.7959 42.0115 -15.246 3.47685 37.7959 3.47687 -1.68447 GPRESSAVG: 4458800 52.8375 41.0114 39.2964 43.517 -14.7314 3.12962 38.3855 5.71018 -3.01589 TIMING: 4458800 CPU: 12955.7, 0.00292688/step Wall: 12955.7, 0.00292688/step, 0.440007 hours remaining, 207.390625 MB of memory in use. ENERGY: 4458800 740.7032 2088.2523 1925.5885 109.5206 -205892.2671 17752.2497 0.0000 0.0000 34330.1377 -148945.8150 299.8136 -183275.9527 -148848.3580 299.4280 -178.0758 -149.1298 559214.8562 11.6671 11.6967 PRESSURE: 4459000 -5.88229 86.335 -29.4543 86.3342 -174.515 -43.4559 -29.4562 -43.4571 -50.2897 GPRESSURE: 4459000 42.169 126.569 -64.2186 107.391 -140.912 -34.1307 76.2408 -68.1461 -31.984 PRESSAVG: 4459000 30.1582 -30.4442 27.696 -30.4442 -52.2747 15.7799 27.6961 15.78 0.315701 GPRESSAVG: 4459000 30.1389 -29.2249 26.966 -30.744 -51.1002 16.5295 27.6012 13.3298 -0.353875 TIMING: 4459000 CPU: 12956.3, 0.00290777/step Wall: 12956.3, 0.00290777/step, 0.436973 hours remaining, 207.390625 MB of memory in use. ENERGY: 4459000 742.9654 2088.9832 1942.4974 106.6276 -205822.9702 17628.3080 0.0000 0.0000 34288.8051 -149024.7836 299.4527 -183313.5888 -148937.8436 299.6761 -76.8956 -43.5758 558668.1831 -7.2669 -7.1051 PRESSURE: 4459200 26.6256 78.6975 -36.4724 78.6966 -200.815 163.394 -36.4732 163.393 17.3217 GPRESSURE: 4459200 69.3399 57.8509 -3.19245 41.0541 -164.473 150.754 -14.9708 142.895 32.9176 PRESSAVG: 4459200 0.68389 7.92238 25.0442 7.92247 -74.9552 80.0112 25.0441 80.0113 75.5896 GPRESSAVG: 4459200 0.955073 5.60368 25.9546 7.64783 -76.0916 77.8585 23.5673 82.0984 76.1601 TIMING: 4459200 CPU: 12956.8, 0.00287991/step Wall: 12956.8, 0.00287991/step, 0.432626 hours remaining, 207.390625 MB of memory in use. ENERGY: 4459200 769.7945 2088.7454 1963.6444 97.9216 -205692.7996 17690.2125 0.0000 0.0000 34127.2007 -148955.2805 298.0413 -183082.4812 -148855.3570 299.4274 -52.2892 -20.7386 558399.2637 0.4394 0.3412 PRESSURE: 4459400 -463.373 26.0852 -17.9971 26.084 -403.917 10.8133 -17.9979 10.8143 -172.761 GPRESSURE: 4459400 -476.821 20.4858 77.924 -26.594 -359.654 49.9057 -135.929 52.9675 -114.184 PRESSAVG: 4459400 -1.42438 5.48505 -32.4141 5.48504 -72.8885 1.66183 -32.4141 1.66186 71.2428 GPRESSAVG: 4459400 -0.783451 6.44598 -33.7601 5.73128 -73.3199 4.97672 -31.0675 -0.517597 70.6604 TIMING: 4459400 CPU: 12957.4, 0.00288743/step Wall: 12957.4, 0.00288743/step, 0.433596 hours remaining, 207.390625 MB of memory in use. ENERGY: 4459400 765.6881 2067.5853 1954.2264 120.2466 -205353.4645 17365.1842 0.0000 0.0000 34217.9649 -148862.5691 298.8340 -183080.5340 -148762.0811 299.8942 -346.6837 -316.8866 560575.4528 -1.0234 -1.1476 PRESSURE: 4459600 -110.647 76.9845 24.7856 76.9847 52.8938 -71.6543 24.7864 -71.6542 -87.0983 GPRESSURE: 4459600 -29.9638 8.5856 -19.3876 97.6402 109.358 -19.2158 105.03 -139.064 -132.204 PRESSAVG: 4459600 29.61 35.9454 27.1028 35.9454 -31.9137 -10.5549 27.1028 -10.5548 60.3981 GPRESSAVG: 4459600 30.0202 35.7852 26.0303 36.4706 -32.1265 -12.2289 26.8951 -12.9969 60.1812 TIMING: 4459600 CPU: 12958, 0.00288735/step Wall: 12958, 0.00288735/step, 0.433423 hours remaining, 207.390625 MB of memory in use. ENERGY: 4459600 721.6132 2082.6347 1959.1399 114.1876 -205786.3456 17707.1917 0.0000 0.0000 34353.0806 -148848.4978 300.0140 -183201.5785 -148753.9317 300.1692 -48.2837 -17.6033 559109.1895 19.3648 19.3583 PRESSURE: 4459800 -190.849 -37.3841 -15.5788 -37.384 13.018 64.8059 -15.5803 64.8069 -19.6194 GPRESSURE: 4459800 -159.035 -39.0182 -41.1914 9.98441 -3.45692 47.0194 -8.98155 131.2 38.37 PRESSAVG: 4459800 -10.1952 78.8187 -6.54799 78.8187 22.7305 -23.2791 -6.54811 -23.279 -31.5323 GPRESSAVG: 4459800 -10.8737 76.9032 -3.01644 80.419 22.3096 -23.3565 -8.26521 -21.7834 -30.2962 TIMING: 4459800 CPU: 12958.6, 0.00288101/step Wall: 12958.6, 0.00288101/step, 0.432311 hours remaining, 207.390625 MB of memory in use. ENERGY: 4459800 701.5039 2068.7538 1952.0817 127.0832 -205372.9467 17532.9400 0.0000 0.0000 34071.2438 -148919.3404 297.5526 -182990.5841 -148832.1398 299.9210 -65.8169 -41.3739 559883.5603 -6.3324 -6.2868 PRESSURE: 4460000 233.994 -82.3565 -187.01 -82.3556 -84.4491 -14.5766 -187.009 -14.5762 0.855615 GPRESSURE: 4460000 252.797 -25.2285 -129.369 -196.171 -29.7151 37.3085 -210.232 -100.795 13.9194 PRESSAVG: 4460000 -1.03146 12.4829 22.6 12.4828 5.02161 -22.2551 22.6001 -22.255 18.3368 GPRESSAVG: 4460000 -2.47498 12.7803 19.8746 9.46331 7.20136 -20.8976 23.0663 -20.7609 17.0666 TIMING: 4460000 CPU: 12959.2, 0.00288196/step Wall: 12959.2, 0.00288196/step, 0.432294 hours remaining, 207.390625 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: 4460000 716.2062 2067.8690 1932.9959 109.3905 -206064.7789 17955.2223 0.0000 0.0000 34285.4585 -148997.6364 299.4234 -183283.0950 -148897.5794 299.3634 50.1336 79.0005 558956.6491 7.4423 7.2643 PRESSURE: 4460200 -3.01837 -30.8434 87.8782 -30.8425 -134.982 98.614 87.8776 98.613 -136.27 GPRESSURE: 4460200 33.0891 -67.7032 103.719 -26.9622 -124.838 152.303 70.0284 10.3053 -89.2112 PRESSAVG: 4460200 -55.491 4.5193 -9.57167 4.51935 -2.86595 -33.4807 -9.57165 -33.4807 59.775 GPRESSAVG: 4460200 -53.8272 4.73182 -9.29502 4.73402 -4.66766 -35.1595 -8.74465 -34.1395 60.0305 TIMING: 4460200 CPU: 12959.7, 0.00289994/step Wall: 12959.7, 0.00289994/step, 0.43483 hours remaining, 207.390625 MB of memory in use. ENERGY: 4460200 724.3330 2078.3716 1974.6819 110.0416 -205754.6011 17673.0305 0.0000 0.0000 34243.0370 -148951.1053 299.0530 -183194.1423 -148856.5054 299.7818 -91.4234 -60.3201 559085.7565 0.4727 0.5119 LDB: ============= START OF LOAD BALANCING ============== 12963.2 LDB: ============== END OF LOAD BALANCING =============== 12963.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12963.2 LDB: ============= START OF LOAD BALANCING ============== 12963.5 LDB: Largest compute 4848 load 0.029404 is 25.0% of average load 0.117677 LDB: Average compute 0.001741 is 1.5% of average load 0.117677 LDB: TIME 12963.5 LOAD: AVG 0.117677 MAX 0.181883 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.59 MB LDB: TIME 12963.5 LOAD: AVG 0.117677 MAX 0.181883 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: TIME 12963.5 LOAD: AVG 0.117677 MAX 0.181883 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.652 MB LDB: ============== END OF LOAD BALANCING =============== 12963.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12963.5 PRESSURE: 4460400 200.305 94.8096 127.24 94.8084 207.539 122.12 127.241 122.12 145.893 GPRESSURE: 4460400 220.485 143.181 114.723 37.9066 224.438 93.3718 97.3035 203.226 207.217 PRESSAVG: 4460400 40.7783 44.0526 8.74023 44.0526 -8.37165 16.2991 8.74025 16.2992 -5.45759 GPRESSAVG: 4460400 40.9009 44.6875 9.24846 43.9698 -8.66791 17.985 8.56356 14.9327 -5.03299 TIMING: 4460400 CPU: 12960.3, 0.00294896/step Wall: 12960.3, 0.00294896/step, 0.442016 hours remaining, 207.101562 MB of memory in use. ENERGY: 4460400 708.9284 2036.6903 1942.3037 105.8397 -206038.2785 17988.3549 0.0000 0.0000 34315.4892 -148940.6723 299.6857 -183256.1615 -148843.1760 300.0740 184.5789 217.3800 558716.1306 8.9830 9.0667 PRESSURE: 4460600 50.9383 -60.5688 142.12 -60.5678 -83.5158 7.19303 142.12 7.1928 346.134 GPRESSURE: 4460600 103.224 -20.6726 196.574 -159.46 -44.5759 -68.1578 144.497 47.7544 342.866 PRESSAVG: 4460600 -28.1009 -28.9974 28.4396 -28.9973 -8.60826 0.532326 28.4395 0.532312 27.6126 GPRESSAVG: 4460600 -27.0392 -29.8637 27.9989 -27.7924 -6.89434 -0.988449 29.781 1.7739 25.5642 TIMING: 4460600 CPU: 12960.9, 0.00289156/step Wall: 12960.9, 0.00289156/step, 0.433252 hours remaining, 207.171875 MB of memory in use. ENERGY: 4460600 734.9889 2075.1005 1970.3531 113.9981 -206020.6979 17893.1406 0.0000 0.0000 34237.9097 -148995.2071 299.0082 -183233.1167 -148897.1226 299.7671 104.5189 133.8382 557847.3647 -3.0322 -2.7898 PRESSURE: 4460800 -45.7863 -126.978 32.5522 -126.978 -184.202 211.233 32.5518 211.234 223.559 GPRESSURE: 4460800 16.1991 -151.382 41.755 -103.975 -107.829 36.5065 37.1241 266.064 188.13 PRESSAVG: 4460800 -11.6769 30.4424 16.4064 30.4423 -23.7852 -13.3217 16.4063 -13.3216 21.7894 GPRESSAVG: 4460800 -11.7768 31.7877 16.1666 30.5846 -24.1166 -11.8711 15.4566 -13.7542 22.5776 TIMING: 4460800 CPU: 12961.5, 0.00288728/step Wall: 12961.5, 0.00288728/step, 0.432451 hours remaining, 207.171875 MB of memory in use. ENERGY: 4460800 778.1234 2086.0292 1941.6862 100.8722 -206253.5717 17796.3707 0.0000 0.0000 34257.7327 -149292.7574 299.1813 -183550.4901 -149196.3390 299.4993 -2.1429 32.1664 556529.5568 -4.5575 -4.4386 PRESSURE: 4461000 -108.532 36.98 62.4463 36.9807 44.2905 63.9536 62.4457 63.9534 -224.307 GPRESSURE: 4461000 -67.8622 -33.3546 71.7348 62.1597 48.7036 28.4869 49.8102 50.8405 -174.612 PRESSAVG: 4461000 33.894 10.0199 28.199 10.0199 -13.6101 17.2948 28.199 17.2947 -46.0803 GPRESSAVG: 4461000 32.8244 9.16039 27.1176 10.0814 -13.3354 14.6961 29.9517 16.8161 -45.3233 TIMING: 4461000 CPU: 12962.1, 0.00289472/step Wall: 12962.1, 0.00289472/step, 0.433404 hours remaining, 207.171875 MB of memory in use. ENERGY: 4461000 727.0253 2172.0698 1946.4413 111.8382 -205954.6884 17562.8981 0.0000 0.0000 34155.3731 -149279.0426 298.2874 -183434.4157 -149181.8819 299.2943 -96.1830 -64.5902 557777.3917 -8.5988 -8.6114 PRESSURE: 4461200 110.486 13.5333 -64.0126 13.5329 93.6319 146.058 -64.0122 146.057 -237.336 GPRESSURE: 4461200 115.651 -38.8524 18.3989 -28.502 184.856 199.192 -73.4581 138.426 -232.617 PRESSAVG: 4461200 -89.3051 31.7738 -31.3208 31.7738 72.8956 43.5182 -31.3209 43.5181 -3.41367 GPRESSAVG: 4461200 -88.2889 29.2335 -29.6343 31.9262 73.0334 46.6746 -33.5817 42.419 -4.64591 TIMING: 4461200 CPU: 12962.6, 0.00288135/step Wall: 12962.6, 0.00288135/step, 0.431243 hours remaining, 207.171875 MB of memory in use. ENERGY: 4461200 727.9826 2116.6531 1962.7895 111.0424 -206181.6803 17733.5145 0.0000 0.0000 34246.7758 -149282.9224 299.0856 -183529.6982 -149185.3356 299.2038 -11.0727 22.6300 557024.9367 -6.6077 -6.6338 PRESSURE: 4461400 3.57288 57.7071 88.5547 57.7053 -90.267 107.308 88.5546 107.307 187.98 GPRESSURE: 4461400 42.2166 93.0115 74.3667 48.847 -70.0777 12.9061 49.3219 135.091 221.252 PRESSAVG: 4461400 27.1876 24.4711 -9.49159 24.4711 33.1235 -13.721 -9.4916 -13.7211 3.50687 GPRESSAVG: 4461400 26.7261 28.482 -10.2168 21.78 32.0176 -15.355 -9.63923 -11.249 5.13452 TIMING: 4461400 CPU: 12963.2, 0.00288803/step Wall: 12963.2, 0.00288803/step, 0.432081 hours remaining, 207.171875 MB of memory in use. ENERGY: 4461400 754.2800 2128.2855 1911.0869 103.0419 -206561.3044 18037.2619 0.0000 0.0000 34372.7549 -149254.5933 300.1858 -183627.3482 -149154.1075 298.8120 33.7618 64.4638 556932.6131 21.2727 21.2927 PRESSURE: 4461600 -35.1011 201.782 82.6703 201.781 -143.927 246.645 82.6709 246.646 -153.751 GPRESSURE: 4461600 -20.6437 149.492 132.874 163.717 -89.6607 258.486 156.984 307.671 -127.979 PRESSAVG: 4461600 12.2579 24.369 27.5965 24.3689 2.74838 26.6118 27.5965 26.6118 6.33146 GPRESSAVG: 4461600 11.7554 23.3242 29.5634 26.1314 4.18239 26.923 27.1586 26.1172 5.54515 TIMING: 4461600 CPU: 12963.8, 0.00289639/step Wall: 12963.8, 0.00289639/step, 0.433172 hours remaining, 207.171875 MB of memory in use. ENERGY: 4461600 782.4944 2106.2643 1954.4789 119.2212 -206175.0376 17758.0395 0.0000 0.0000 34144.0731 -149310.4661 298.1887 -183454.5393 -149209.3409 299.0180 -110.9262 -79.4279 557523.3710 7.1126 7.1610 PRESSURE: 4461800 -131.363 134.669 -52.8474 134.668 -139.103 105.055 -52.8479 105.055 88.0567 GPRESSURE: 4461800 -131.633 135.291 -36.6691 194.409 -84.8805 91.1553 -3.04843 44.1869 119.658 PRESSAVG: 4461800 5.59851 51.3377 -42.8584 51.3377 6.29804 0.423546 -42.8583 0.423576 3.69935 GPRESSAVG: 4461800 7.16613 53.6812 -45.5622 48.7798 4.47312 2.01198 -40.9395 -0.607437 4.52046 TIMING: 4461800 CPU: 12964.4, 0.00287955/step Wall: 12964.4, 0.00287955/step, 0.430493 hours remaining, 207.171875 MB of memory in use. ENERGY: 4461800 719.2245 2111.6180 1920.5562 105.3951 -206202.0588 17695.0133 0.0000 0.0000 34354.1444 -149296.1074 300.0233 -183650.2517 -149197.7724 299.0693 -60.8031 -32.2853 557847.0212 5.1986 5.3866 PRESSURE: 4462000 -8.72939 -8.11081 42.4567 -8.11098 -82.6453 117.293 42.4565 117.294 -28.6632 GPRESSURE: 4462000 -21.2368 14.5969 78.2822 19.0217 -48.0958 63.1838 18.2201 137.565 45.9607 PRESSAVG: 4462000 -62.4252 58.5227 -17.247 58.5226 47.4219 44.9312 -17.2469 44.9312 -12.7727 GPRESSAVG: 4462000 -63.3038 56.1636 -14.8639 61.7934 47.6125 44.1331 -19.4086 45.1553 -12.4405 TIMING: 4462000 CPU: 12964.9, 0.00288163/step Wall: 12964.9, 0.00288163/step, 0.430644 hours remaining, 207.171875 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: 4462000 745.6168 2059.4669 1963.1496 116.4063 -206431.1715 17906.8631 0.0000 0.0000 34332.3153 -149307.3535 299.8326 -183639.6688 -149204.1403 299.0117 -40.0126 -7.7906 558109.8390 -9.2587 -9.3773 PRESSURE: 4462200 -99.9394 -26.7522 -56.764 -26.7529 -90.4126 17.5712 -56.7648 17.5713 -122.509 GPRESSURE: 4462200 -30.4636 40.0577 -97.3627 -98.0165 -61.2722 73.6402 -55.9657 -12.5646 -119.057 PRESSAVG: 4462200 -11.2356 49.7005 42.8115 49.7004 2.06694 36.1794 42.8115 36.1794 32.5902 GPRESSAVG: 4462200 -10.8206 51.3693 42.7661 48.2241 2.57781 35.5372 44.1952 36.8486 31.8209 TIMING: 4462200 CPU: 12965.5, 0.00289691/step Wall: 12965.5, 0.00289691/step, 0.432766 hours remaining, 207.171875 MB of memory in use. ENERGY: 4462200 690.3007 2081.4938 1932.7488 108.5220 -205953.8664 17473.8993 0.0000 0.0000 34299.8973 -149367.0045 299.5495 -183666.9018 -149268.4085 298.8270 -104.2871 -70.2643 558382.6010 7.8072 7.8594 PRESSURE: 4462400 94.8703 -9.42788 20.9548 -9.42718 286.899 64.8619 20.9548 64.8624 41.0019 GPRESSURE: 4462400 162.384 -92.7308 -35.294 -66.8213 228.162 3.54001 34.4584 128.673 116.176 PRESSAVG: 4462400 29.7875 48.6028 77.0273 48.6028 26.2953 53.2929 77.0273 53.293 -28.1293 GPRESSAVG: 4462400 29.2582 47.6197 77.1083 47.5522 25.681 52.8957 75.8943 53.6696 -27.4217 TIMING: 4462400 CPU: 12966.1, 0.00296394/step Wall: 12966.1, 0.00296394/step, 0.442615 hours remaining, 207.171875 MB of memory in use. ENERGY: 4462400 729.7066 2119.3158 1958.5020 109.7524 -206754.6438 18153.0723 0.0000 0.0000 34259.7495 -149424.5452 299.1989 -183684.2946 -149329.3608 299.0778 140.9238 168.9073 557061.0746 9.3178 9.1725 PRESSURE: 4462600 -130.285 75.6059 15.8732 75.6069 -21.0526 36.0455 15.8732 36.0458 -114.088 GPRESSURE: 4462600 -114.649 74.2355 0.0604544 138.064 -28.0288 27.3348 151.085 -9.10162 -11.3014 PRESSAVG: 4462600 19.0764 81.5842 -16.0773 81.5842 6.2809 8.72895 -16.0773 8.72896 -9.74365 GPRESSAVG: 4462600 20.2146 80.4078 -17.2141 85.5075 5.33658 8.39934 -14.0142 7.33848 -10.6794 TIMING: 4462600 CPU: 12966.7, 0.00291546/step Wall: 12966.7, 0.00291546/step, 0.435213 hours remaining, 207.375000 MB of memory in use. ENERGY: 4462600 788.1010 2092.2653 1989.4507 113.3797 -206222.5011 17694.1241 0.0000 0.0000 34273.4448 -149271.7356 299.3185 -183545.1803 -149177.3565 299.1414 -88.4750 -51.3262 556723.6483 5.2046 4.9573 PRESSURE: 4462800 187.15 49.5627 -47.2558 49.5618 -146.496 88.8665 -47.256 88.8671 -8.8372 GPRESSURE: 4462800 188.953 123.195 -1.88335 -102.771 -85.8466 37.5768 27.1419 107.233 28.9052 PRESSAVG: 4462800 4.62157 24.2533 34.2906 24.2532 23.5381 9.7909 34.2905 9.79076 -24.4847 GPRESSAVG: 4462800 2.75138 23.2489 33.3915 22.8871 23.8785 10.8158 35.4033 10.18 -23.2859 TIMING: 4462800 CPU: 12967.3, 0.00287198/step Wall: 12967.3, 0.00287198/step, 0.428563 hours remaining, 207.375000 MB of memory in use. ENERGY: 4462800 772.6506 2090.6036 1942.7128 95.8994 -206237.4499 17899.3899 0.0000 0.0000 34154.4342 -149281.7594 298.2792 -183436.1936 -149180.5858 299.1212 10.6055 44.0040 556841.8010 1.2250 1.1146 PRESSURE: 4463000 33.9372 -131.028 11.6418 -131.028 168.085 14.6776 11.6422 14.6762 -1.92167 GPRESSURE: 4463000 4.87126 -186.837 27.5299 -46.9494 207.71 37.7224 69.171 48.5884 89.0369 PRESSAVG: 4463000 -28.0259 -28.1869 -15.8178 -28.187 75.7788 -15.7229 -15.8178 -15.7229 -3.78194 GPRESSAVG: 4463000 -26.8592 -26.5185 -16.4029 -28.6248 76.1997 -15.332 -16.3438 -14.8144 -4.63544 TIMING: 4463000 CPU: 12967.9, 0.00288194/step Wall: 12967.9, 0.00288194/step, 0.429889 hours remaining, 207.375000 MB of memory in use. ENERGY: 4463000 731.0569 2085.9599 1929.2457 103.7169 -206144.2139 17891.4257 0.0000 0.0000 34256.4635 -149146.3453 299.1702 -183402.8088 -149048.5071 299.2964 66.7000 100.5393 557158.0519 14.6570 14.9017 PRESSURE: 4463200 151.991 13.4472 85.5126 13.4464 41.6441 -43.2496 85.5129 -43.2496 -112.276 GPRESSURE: 4463200 154.335 38.4198 151.861 -52.5161 66.2503 -15.5598 22.2592 -82.4805 -47.2081 PRESSAVG: 4463200 72.6708 2.85945 -36.2385 2.8595 -21.9016 -42.3688 -36.2385 -42.3688 -25.674 GPRESSAVG: 4463200 72.0714 2.63883 -33.8613 2.38508 -21.8565 -40.8739 -37.9992 -44.3726 -25.0827 TIMING: 4463200 CPU: 12968.4, 0.00290235/step Wall: 12968.4, 0.00290235/step, 0.432772 hours remaining, 207.375000 MB of memory in use. ENERGY: 4463200 764.8565 2097.6563 1939.2812 120.8975 -206110.8476 17821.8846 0.0000 0.0000 34306.8526 -149059.4190 299.6103 -183366.2716 -148968.5012 299.9171 27.1197 57.7922 556887.1957 8.3651 8.3774 PRESSURE: 4463400 -192.29 5.35261 157.809 5.35249 2.92417 -52.2124 157.809 -52.2112 -238.636 GPRESSURE: 4463400 -154.846 108.157 78.7817 8.86724 49.8458 -48.4509 280.223 -8.76465 -235.052 PRESSAVG: 4463400 49.034 -12.4841 7.16894 -12.4842 -13.6167 55.7321 7.16882 55.7322 -3.72784 GPRESSAVG: 4463400 49.9846 -14.1106 4.84571 -12.5537 -13.0539 53.7135 10.4399 55.7169 -5.10523 TIMING: 4463400 CPU: 12969, 0.00290095/step Wall: 12969, 0.00290095/step, 0.432403 hours remaining, 207.375000 MB of memory in use. ENERGY: 4463400 758.0569 2098.4740 1936.3312 129.8615 -206064.6431 17559.2650 0.0000 0.0000 34507.7880 -149074.8665 301.3651 -183582.6544 -148979.6884 299.4944 -142.6672 -113.3506 557550.1814 10.5632 10.6085 PRESSURE: 4463600 -225.187 63.2061 -130.461 63.205 -91.4253 -74.0858 -130.46 -74.0871 25.1917 GPRESSURE: 4463600 -220.477 107.89 -125.291 -71.3495 -71.8661 -140.346 -117.743 14.1233 91.7391 PRESSAVG: 4463600 69.7789 -25.0227 11.6403 -25.0228 -8.61324 6.82548 11.6403 6.82538 -40.3269 GPRESSAVG: 4463600 69.4262 -24.5427 13.9914 -23.7688 -9.93826 6.94958 8.81968 7.48731 -38.7523 TIMING: 4463600 CPU: 12969.6, 0.00291457/step Wall: 12969.6, 0.00291457/step, 0.434272 hours remaining, 207.375000 MB of memory in use. ENERGY: 4463600 752.5201 2115.3101 1948.1359 112.5921 -206016.6601 17707.2791 0.0000 0.0000 34299.2699 -149081.5528 299.5441 -183380.8227 -148989.3940 299.2492 -97.1402 -66.8678 558965.4581 6.9462 6.9119 PRESSURE: 4463800 -44.992 19.538 -119.659 19.5381 -41.1358 28.9288 -119.66 28.9293 5.51582 GPRESSURE: 4463800 -51.3728 101.937 -50.6277 -31.5197 38.1444 61.0969 -153.026 7.14185 36.3423 PRESSAVG: 4463800 12.5054 -62.0624 -42.301 -62.0623 -3.1419 47.4086 -42.3009 47.4086 -22.9012 GPRESSAVG: 4463800 12.1744 -60.6837 -39.5717 -64.4778 -2.32214 48.9263 -44.4844 47.629 -22.8219 TIMING: 4463800 CPU: 12970.2, 0.00291135/step Wall: 12970.2, 0.00291134/step, 0.433629 hours remaining, 207.375000 MB of memory in use. ENERGY: 4463800 764.7384 2114.2567 1952.4223 110.1621 -206010.0284 17733.1566 0.0000 0.0000 34333.5979 -149001.6944 299.8438 -183335.2923 -148906.7815 300.1099 -26.8707 7.7046 558283.5368 -4.5125 -4.3232 PRESSURE: 4464000 30.5283 47.1782 -55.4938 47.178 -75.2276 26.9285 -55.4923 26.9293 123.012 GPRESSURE: 4464000 117.992 83.4599 -110.668 -0.047226 -49.3402 -61.9905 -5.25494 141.62 118.502 PRESSAVG: 4464000 -25.4081 20.7347 -11.4057 20.7347 -18.2034 13.7094 -11.4056 13.7094 -16.1666 GPRESSAVG: 4464000 -24.7258 20.9492 -16.3494 23.1997 -18.2656 11.6242 -7.95201 14.7977 -16.5756 TIMING: 4464000 CPU: 12970.8, 0.00290264/step Wall: 12970.8, 0.00290264/step, 0.432171 hours remaining, 207.375000 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: 4464000 735.8889 2075.8721 1933.2894 108.0101 -205926.4408 17790.5111 0.0000 0.0000 34237.6627 -149045.2065 299.0060 -183282.8692 -148944.5842 299.3486 26.1043 62.3848 557476.3461 -19.9260 -19.8557 PRESSURE: 4464200 -176.562 11.7393 -204.458 11.7384 108.914 60.4705 -204.458 60.4712 -60.3321 GPRESSURE: 4464200 -141.066 -25.9709 -140.344 35.7929 125.194 93.4859 -259.717 -13.7567 -9.5782 PRESSAVG: 4464200 -9.56209 -27.6151 -41.646 -27.6152 105.205 14.0898 -41.646 14.0898 -86.7751 GPRESSAVG: 4464200 -9.59835 -27.6049 -37.3916 -28.3014 105.406 14.6897 -43.5678 13.553 -86.9972 TIMING: 4464200 CPU: 12971.3, 0.00288829/step Wall: 12971.3, 0.00288829/step, 0.429875 hours remaining, 207.375000 MB of memory in use. ENERGY: 4464200 749.8323 2086.8454 1921.9665 120.0226 -205821.7235 17650.1082 0.0000 0.0000 34313.6502 -148979.2983 299.6696 -183292.9485 -148882.7788 299.9184 -42.6601 -8.4832 557348.6901 2.9560 2.9367 LDB: ============= START OF LOAD BALANCING ============== 12974.8 LDB: ============== END OF LOAD BALANCING =============== 12974.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12974.8 LDB: ============= START OF LOAD BALANCING ============== 12975.1 LDB: Largest compute 4848 load 0.029840 is 25.3% of average load 0.117835 LDB: Average compute 0.001736 is 1.5% of average load 0.117835 LDB: TIME 12975.1 LOAD: AVG 0.117835 MAX 0.183705 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 12975.1 LOAD: AVG 0.117835 MAX 0.183705 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: TIME 12975.1 LOAD: AVG 0.117835 MAX 0.183705 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.43 MB LDB: ============== END OF LOAD BALANCING =============== 12975.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12975.1 PRESSURE: 4464400 -6.40409 174.659 23.9423 174.66 113.276 123.371 23.9421 123.37 -235.022 GPRESSURE: 4464400 6.89084 110.762 -14.1791 197.386 112.083 97.9974 65.0372 100.122 -151.41 PRESSAVG: 4464400 24.0887 -11.1523 -14.8779 -11.1522 37.4743 9.33748 -14.8779 9.33741 -3.73386 GPRESSAVG: 4464400 25.3175 -11.8068 -18.0018 -11.6863 35.9833 9.17033 -14.1449 9.20832 -3.60586 TIMING: 4464400 CPU: 12971.9, 0.00296897/step Wall: 12971.9, 0.00296897/step, 0.441716 hours remaining, 207.355469 MB of memory in use. ENERGY: 4464400 744.4774 2110.0390 1956.7739 111.2424 -205980.1471 17742.1043 0.0000 0.0000 34438.9425 -148876.5675 300.7639 -183315.5100 -148775.4126 300.2752 -42.7169 -10.8122 557073.1532 19.2764 19.2316 PRESSURE: 4464600 -156.025 -29.3898 -73.3242 -29.3905 81.5273 -94.5146 -73.3257 -94.5158 105.956 GPRESSURE: 4464600 -123.393 -92.0383 -7.55872 -43.1199 117.1 -135.454 -16.4244 -46.9807 137.616 PRESSAVG: 4464600 51.7217 20.462 -24.3381 20.4619 21.5446 -14.7558 -24.3382 -14.7558 -14.3921 GPRESSAVG: 4464600 50.9109 19.8118 -25.0873 20.6637 22.1693 -13.1969 -23.6815 -14.9833 -13.3944 TIMING: 4464600 CPU: 12972.5, 0.00290771/step Wall: 12972.5, 0.00290771/step, 0.432441 hours remaining, 207.558594 MB of memory in use. ENERGY: 4464600 759.7032 2098.3114 1947.4203 110.3881 -205682.0030 17677.4640 0.0000 0.0000 34189.1026 -148899.6135 298.5819 -183088.7161 -148806.3745 300.6912 10.4861 43.7743 558406.4442 19.6247 19.8953 PRESSURE: 4464800 -46.2708 -245.848 -68.0905 -245.849 -86.7408 70.8545 -68.0904 70.8544 45.8797 GPRESSURE: 4464800 -8.48931 -223.508 -19.2646 -188.904 -49.4462 109.334 -99.0924 95.5859 70.836 PRESSAVG: 4464800 -0.766941 -51.3132 -48.0584 -51.3132 18.115 -16.7305 -48.0585 -16.7305 13.944 GPRESSAVG: 4464800 -0.374684 -50.7949 -49.1224 -50.2701 18.4004 -19.396 -48.4304 -14.1711 13.4811 TIMING: 4464800 CPU: 12973.1, 0.00292482/step Wall: 12973.1, 0.00292482/step, 0.434823 hours remaining, 207.761719 MB of memory in use. ENERGY: 4464800 756.7771 2081.0912 1937.8677 111.6102 -205770.0231 17777.6206 0.0000 0.0000 34193.4323 -148911.6238 298.6197 -183105.0562 -148817.7236 300.2037 -29.0440 4.3002 557789.7748 10.4307 10.5022 PRESSURE: 4465000 -103.948 -81.819 127.592 -81.819 -193.135 143.345 127.592 143.347 -72.3523 GPRESSURE: 4465000 -79.1268 -24.0544 129.173 -47.4102 -131.209 212.795 141.112 170.914 -67.1018 PRESSAVG: 4465000 6.17475 -28.2227 -66.792 -28.2226 -20.7678 -5.1648 -66.7919 -5.16487 -18.654 GPRESSAVG: 4465000 5.59932 -28.134 -63.958 -26.9815 -20.327 -3.13343 -66.173 -7.09197 -17.9328 TIMING: 4465000 CPU: 12973.7, 0.00293347/step Wall: 12973.7, 0.00293347/step, 0.435946 hours remaining, 207.761719 MB of memory in use. ENERGY: 4465000 766.4432 2057.5170 1956.1233 117.4850 -205783.8921 17666.5841 0.0000 0.0000 34357.3837 -148862.3559 300.0516 -183219.7396 -148760.7910 299.4793 -123.1452 -92.4793 557321.8906 -11.0824 -10.8868 PRESSURE: 4465200 -21.1525 -133.479 220.33 -133.48 -310.087 57.7806 220.329 57.7793 156.692 GPRESSURE: 4465200 -18.7688 -125.915 153.377 -157.254 -235.891 84.5229 244.742 43.6368 169.346 PRESSAVG: 4465200 -25.7609 4.67617 3.77903 4.67607 1.98964 -32.4673 3.77902 -32.4672 61.5372 GPRESSAVG: 4465200 -26.2359 5.24327 0.810787 3.22388 3.02129 -33.8969 3.97983 -33.2292 60.8663 TIMING: 4465200 CPU: 12974.3, 0.00292737/step Wall: 12974.3, 0.00292737/step, 0.434877 hours remaining, 207.761719 MB of memory in use. ENERGY: 4465200 731.8704 2069.6921 1938.1890 111.3371 -205728.7536 17691.2174 0.0000 0.0000 34146.0677 -149040.3798 298.2061 -183186.4475 -148949.6615 299.3537 -58.1827 -28.4382 557509.7747 12.5887 12.5506 PRESSURE: 4465400 -515.842 158.558 81.1458 158.558 3.71544 124.403 81.1451 124.405 16.6346 GPRESSURE: 4465400 -436.799 170.415 59.4564 189.107 25.6527 156.737 72.8125 70.373 12.1607 PRESSAVG: 4465400 -31.9184 -22.1942 -46.1962 -22.1941 -5.79717 16.0076 -46.1963 16.0076 38.095 GPRESSAVG: 4465400 -30.211 -21.569 -43.4202 -23.7921 -6.02184 15.2289 -48.3834 17.2531 36.5385 TIMING: 4465400 CPU: 12974.8, 0.00289858/step Wall: 12974.8, 0.00289858/step, 0.43044 hours remaining, 207.761719 MB of memory in use. ENERGY: 4465400 765.9945 2106.1858 1940.2966 113.1616 -206123.0278 17614.5505 0.0000 0.0000 34361.5971 -149221.2417 300.0884 -183582.8388 -149122.6889 299.4050 -165.1639 -132.9951 558636.7703 0.1265 0.1019 PRESSURE: 4465600 -98.9277 91.5095 181.081 91.5077 -106.667 -20.3173 181.079 -20.3183 23.5975 GPRESSURE: 4465600 -95.928 64.0823 133.112 105.896 -24.4981 -29.9146 197.067 32.9559 36.5279 PRESSAVG: 4465600 -17.4875 10.0499 41.7966 10.0499 -26.9626 42.0986 41.7966 42.0986 -4.52851 GPRESSAVG: 4465600 -18.9656 8.08263 40.79 10.4326 -26.6607 42.1717 42.8855 43.2169 -2.8116 TIMING: 4465600 CPU: 12975.4, 0.0029274/step Wall: 12975.4, 0.0029274/step, 0.434557 hours remaining, 207.761719 MB of memory in use. ENERGY: 4465600 755.0462 2079.4227 1940.9251 118.1321 -206282.3493 17845.9882 0.0000 0.0000 34143.9333 -149398.9017 298.1875 -183542.8350 -149299.3345 298.7514 -60.6656 -27.9661 558248.8025 -16.3262 -16.1460 PRESSURE: 4465800 -104.66 69.5374 115.098 69.537 0.367857 98.5316 115.097 98.5308 22.5832 GPRESSURE: 4465800 -59.2575 103.525 113.62 2.13933 45.4088 136.523 64.4655 101.011 31.6855 PRESSAVG: 4465800 21.0029 -13.0018 4.18545 -13.0018 10.9219 17.4034 4.18539 17.4034 15.882 GPRESSAVG: 4465800 21.7686 -13.9367 3.8713 -12.198 12.0326 16.7855 5.07785 15.8414 14.3958 TIMING: 4465800 CPU: 12976, 0.00291896/step Wall: 12976, 0.00291896/step, 0.433142 hours remaining, 207.761719 MB of memory in use. ENERGY: 4465800 720.3483 2055.7486 1960.9210 120.9271 -206151.9404 17630.7844 0.0000 0.0000 34146.0853 -149517.1257 298.2063 -183663.2110 -149426.5090 298.0473 -27.2363 5.9456 557650.8057 15.9356 16.0657 PRESSURE: 4466000 -126.97 -71.6303 162.832 -71.6313 108.002 79.02 162.831 79.0201 -10.2167 GPRESSURE: 4466000 -101.429 -96.8471 146.134 -24.1605 137.696 104.609 172.618 43.1545 25.4925 PRESSAVG: 4466000 -55.9666 -14.2175 37.006 -14.2174 -9.23093 -26.5266 37.0059 -26.5267 58.0051 GPRESSAVG: 4466000 -55.5395 -12.85 35.7364 -14.5228 -10.1811 -26.436 35.6674 -26.0928 59.0667 TIMING: 4466000 CPU: 12976.6, 0.00290181/step Wall: 12976.6, 0.00290182/step, 0.430436 hours remaining, 207.761719 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: 4466000 760.7949 2140.7800 1947.1693 124.1956 -206620.3867 18027.7717 0.0000 0.0000 34131.0824 -149488.5928 298.0752 -183619.6752 -149395.7385 298.5185 -9.7283 20.5865 558498.5632 -2.3975 -2.2180 PRESSURE: 4466200 77.6333 -120.996 -52.3223 -120.996 350.931 -7.6982 -52.3229 -7.69615 62.0869 GPRESSURE: 4466200 109.188 -128.937 -11.7391 -96.6809 351.199 -76.6328 -40.1235 30.4338 127.21 PRESSAVG: 4466200 -42.3944 0.101392 20.5049 0.101399 -10.0197 1.28577 20.5048 1.2858 63.0348 GPRESSAVG: 4466200 -43.4492 -0.0837286 21.1058 -1.12273 -9.79625 1.63959 20.1456 1.27641 63.6431 TIMING: 4466200 CPU: 12977.2, 0.00288685/step Wall: 12977.2, 0.00288685/step, 0.428056 hours remaining, 207.761719 MB of memory in use. ENERGY: 4466200 717.0163 2078.8020 1948.7034 113.7314 -206268.9314 18048.9162 0.0000 0.0000 34031.4179 -149330.3442 297.2048 -183361.7620 -149236.8103 298.3884 163.5505 195.8658 558425.1677 3.5402 3.4659 PRESSURE: 4466400 211.475 118.395 65.2212 118.395 76.6001 -40.704 65.2205 -40.706 296.672 GPRESSURE: 4466400 229.154 74.3627 127.775 186.322 139.973 -21.3234 7.59442 -72.8189 296.596 PRESSAVG: 4466400 20.8966 11.2574 25.2394 11.2575 -19.0014 41.9873 25.2393 41.9873 -28.04 GPRESSAVG: 4466400 22.2936 12.0126 26.7108 13.0136 -19.4827 41.4474 27.0394 42.2587 -28.4231 TIMING: 4466400 CPU: 12977.8, 0.00290429/step Wall: 12977.8, 0.00290429/step, 0.43048 hours remaining, 207.761719 MB of memory in use. ENERGY: 4466400 768.1400 2093.3675 1940.1346 119.5505 -206870.7554 18418.8369 0.0000 0.0000 34196.4184 -149334.3074 298.6458 -183530.7258 -149227.3905 299.0451 194.9158 221.9077 557889.5809 -8.7149 -8.5374 PRESSURE: 4466600 241.986 46.278 25.3089 46.2773 189.373 119.069 25.3097 119.07 -256.857 GPRESSURE: 4466600 247.85 163.758 45.5715 32.1294 202.535 134.053 46.1044 112.843 -183.013 PRESSAVG: 4466600 -28.8447 -0.190645 -47.6158 -0.190728 -19.4625 -3.55288 -47.6158 -3.553 26.1759 GPRESSAVG: 4466600 -28.9222 -1.11512 -46.2867 -0.571293 -19.6419 -1.53165 -48.3018 -5.53648 25.8512 TIMING: 4466600 CPU: 12978.3, 0.00290768/step Wall: 12978.3, 0.00290768/step, 0.430821 hours remaining, 207.761719 MB of memory in use. ENERGY: 4466600 747.1262 2048.5105 1946.4939 113.7282 -206400.1657 17984.7655 0.0000 0.0000 34133.7806 -149425.7608 298.0988 -183559.5414 -149335.6714 298.9896 58.1673 89.1239 556938.5832 -7.3771 -7.5710 PRESSURE: 4466800 70.4742 68.6993 -193.738 68.6993 171.565 66.467 -193.74 66.4649 147.168 GPRESSURE: 4466800 155.876 49.076 -253.385 65.9936 165.127 128.952 -104.689 86.7611 148.282 PRESSAVG: 4466800 -10.1036 39.6656 -30.9817 39.6657 40.9975 16.638 -30.9817 16.638 -9.9713 GPRESSAVG: 4466800 -10.6817 38.0285 -33.9085 41.5675 41.52 16.2394 -30.8114 16.9736 -10.6849 TIMING: 4466800 CPU: 12978.9, 0.00290547/step Wall: 12978.9, 0.00290547/step, 0.430332 hours remaining, 207.761719 MB of memory in use. ENERGY: 4466800 748.6149 2149.5992 1942.7207 115.6407 -206584.2801 18128.5600 0.0000 0.0000 34234.8425 -149264.3020 298.9814 -183499.1446 -149161.4356 299.0489 129.7357 156.4281 557260.6115 6.9742 6.7178 PRESSURE: 4467000 25.9212 115.364 46.131 115.364 -434.064 -4.38983 46.1304 -4.39158 -147.053 GPRESSURE: 4467000 19.7387 87.7193 54.8285 117.549 -392.376 -71.1532 -4.68404 -34.327 -95.4853 PRESSAVG: 4467000 -4.70284 22.2346 -52.7678 22.2346 12.4158 72.7217 -52.7678 72.7216 -47.9215 GPRESSAVG: 4467000 -4.83627 22.7403 -52.0692 22.9516 11.2107 71.1469 -53.42 74.7824 -47.4385 TIMING: 4467000 CPU: 12979.5, 0.00289836/step Wall: 12979.5, 0.00289836/step, 0.429119 hours remaining, 207.761719 MB of memory in use. ENERGY: 4467000 781.6792 2104.0634 1946.2952 99.9399 -205969.5904 17716.0717 0.0000 0.0000 34108.6876 -149212.8535 297.8797 -183321.5411 -149110.0900 299.4052 -185.0654 -156.0410 558205.9815 -13.4028 -13.6880 PRESSURE: 4467200 -213.059 -66.9319 62.9686 -66.9306 -46.781 9.91341 62.9692 9.91336 -5.0849 GPRESSURE: 4467200 -181.934 -7.49939 72.0743 -158.621 -23.7217 75.7808 -4.08945 27.8424 23.4015 PRESSAVG: 4467200 106.487 51.4586 12.3369 51.4586 -15.0686 -38.2791 12.3369 -38.2791 -55.9468 GPRESSAVG: 4467200 104.871 54.1372 12.5511 48.06 -13.8265 -37.5793 11.8794 -38.2365 -55.4276 TIMING: 4467200 CPU: 12980.1, 0.00290793/step Wall: 12980.1, 0.00290793/step, 0.430374 hours remaining, 207.761719 MB of memory in use. ENERGY: 4467200 742.0659 2039.8674 1930.3168 106.5175 -205884.8144 17678.3999 0.0000 0.0000 34167.9637 -149219.6832 298.3973 -183387.6469 -149130.8462 299.1039 -88.3084 -60.7513 557419.9502 11.8237 11.8723 PRESSURE: 4467400 222.019 75.7946 65.0007 75.7944 -135.03 -66.0605 64.9995 -66.0603 92.3336 GPRESSURE: 4467400 278.252 138.282 -11.0072 25.5068 -62.5605 -103.138 46.0115 -17.1659 56.8077 PRESSAVG: 4467400 52.5763 17.4898 -17.4758 17.4897 5.42486 -27.6161 -17.4759 -27.616 -48.745 GPRESSAVG: 4467400 53.4776 13.7407 -17.1 19.7663 5.30917 -25.4287 -18.7487 -27.9786 -50.1318 TIMING: 4467400 CPU: 12980.7, 0.00292446/step Wall: 12980.7, 0.00292446/step, 0.432657 hours remaining, 207.964844 MB of memory in use. ENERGY: 4467400 740.9475 2032.2014 1922.0758 124.1781 -206236.3467 17882.4342 0.0000 0.0000 34298.4994 -149236.0104 299.5373 -183534.5098 -149141.5616 299.1070 59.7744 90.8331 556765.3402 3.0854 2.8850 PRESSURE: 4467600 -83.4067 -107.142 -76.9489 -107.142 -112.934 -8.34132 -76.9492 -8.34125 -268.219 GPRESSURE: 4467600 -80.5731 -33.3378 -29.9215 -139.43 -43.452 20.1088 -94.1002 45.549 -241.385 PRESSAVG: 4467600 -7.3206 24.7273 -37.9348 24.7273 -18.784 13.5225 -37.935 13.5225 -10.4172 GPRESSAVG: 4467600 -6.77234 27.7622 -37.7486 22.4883 -18.3895 11.4128 -35.3607 12.6286 -10.9775 TIMING: 4467600 CPU: 12981.2, 0.00292031/step Wall: 12981.2, 0.00292031/step, 0.431881 hours remaining, 207.964844 MB of memory in use. ENERGY: 4467600 729.3242 2089.5604 1963.8683 115.7539 -206097.8868 17620.9227 0.0000 0.0000 34284.5499 -149293.9075 299.4155 -183578.4574 -149195.3158 298.9924 -154.8534 -121.8034 557018.0122 -12.1739 -12.0465 PRESSURE: 4467800 -124.192 -245.145 -62.7255 -245.145 420.507 107.053 -62.7251 107.053 39.748 GPRESSURE: 4467800 -64.0139 -241.205 -73.8493 -139.272 471.379 86.3146 -42.8607 128.22 29.5886 PRESSAVG: 4467800 15.0756 -2.77143 -27.1321 -2.77143 81.7503 3.74855 -27.132 3.74863 -78.38 GPRESSAVG: 4467800 13.8464 -3.71839 -25.5495 -1.74463 81.3785 3.4724 -28.0223 5.04192 -77.0985 TIMING: 4467800 CPU: 12981.8, 0.0029127/step Wall: 12981.8, 0.0029127/step, 0.430594 hours remaining, 207.964844 MB of memory in use. ENERGY: 4467800 755.0966 2080.9311 1932.9145 116.7691 -206273.4688 17926.1547 0.0000 0.0000 34228.8974 -149232.7053 298.9295 -183461.6027 -149135.7451 299.8123 112.0212 145.6513 557841.8459 6.1486 6.0421 PRESSURE: 4468000 48.2061 50.6135 -29.6243 50.6125 144.505 105.412 -29.6238 105.41 73.4396 GPRESSURE: 4468000 54.1241 106.395 -52.223 -19.3298 179.102 33.9967 -53.5848 114.654 124.926 PRESSAVG: 4468000 23.7593 -21.3827 -41.4906 -21.3827 -4.55732 16.2891 -41.4905 16.289 -12.556 GPRESSAVG: 4468000 23.5744 -22.7776 -43.1182 -20.664 -4.86434 14.6942 -40.6555 16.3087 -12.7793 TIMING: 4468000 CPU: 12982.4, 0.00291505/step Wall: 12982.4, 0.00291505/step, 0.43078 hours remaining, 207.964844 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: 4468000 743.5105 2106.6538 1956.5086 99.3466 -206522.7942 17992.0581 0.0000 0.0000 34238.9140 -149385.8026 299.0170 -183624.7165 -149292.0627 299.5012 88.7170 119.3839 557329.6413 2.2153 1.9769 PRESSURE: 4468200 -50.2184 303.676 -89.4958 303.674 131.693 28.6236 -89.4966 28.6241 -178.632 GPRESSURE: 4468200 -34.0827 228.911 -58.7522 268.064 182.061 64.5079 -101.307 14.6254 -141.653 PRESSAVG: 4468200 38.1505 28.8103 -64.6847 28.8104 23.602 21.4425 -64.6847 21.4425 -74.0699 GPRESSAVG: 4468200 39.4028 31.4578 -63.5689 26.9127 22.0539 23.4895 -66.3038 21.2453 -73.9409 TIMING: 4468200 CPU: 12983, 0.00293035/step Wall: 12983, 0.00293035/step, 0.432878 hours remaining, 207.964844 MB of memory in use. ENERGY: 4468200 737.1130 2090.6196 1951.3725 113.8992 -206475.4456 17863.6716 0.0000 0.0000 34232.3711 -149486.3986 298.9598 -183718.7697 -149394.1585 298.7844 -32.3857 2.1084 556639.2789 -4.1058 -4.1614 LDB: ============= START OF LOAD BALANCING ============== 12986.5 LDB: ============== END OF LOAD BALANCING =============== 12986.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.5 LDB: ============= START OF LOAD BALANCING ============== 12986.8 LDB: Largest compute 4848 load 0.030099 is 25.6% of average load 0.117737 LDB: Average compute 0.001733 is 1.5% of average load 0.117737 LDB: TIME 12986.8 LOAD: AVG 0.117737 MAX 0.180297 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 12986.8 LOAD: AVG 0.117737 MAX 0.180297 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: TIME 12986.8 LOAD: AVG 0.117737 MAX 0.180297 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.832 MB LDB: ============== END OF LOAD BALANCING =============== 12986.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.8 PRESSURE: 4468400 -130.186 30.5596 -10.0777 30.5596 -21.2249 -166.659 -10.0782 -166.661 -279.971 GPRESSURE: 4468400 -13.6385 122.618 -88.5238 32.9668 -38.6564 -95.273 29.1473 -177.908 -286.532 PRESSAVG: 4468400 40.3246 -23.3822 -37.9231 -23.3821 40.6256 -33.0595 -37.9231 -33.0596 -81.202 GPRESSAVG: 4468400 39.6218 -24.9793 -39.3424 -21.3063 41.6558 -32.1708 -36.0093 -34.3324 -80.6175 TIMING: 4468400 CPU: 12983.6, 0.0029463/step Wall: 12983.6, 0.0029463/step, 0.43507 hours remaining, 207.414062 MB of memory in use. ENERGY: 4468400 787.7353 2065.2141 1938.0666 104.3585 -206058.5480 17669.2099 0.0000 0.0000 34002.4495 -149491.5141 296.9518 -183493.9636 -149394.9439 298.5131 -143.7938 -112.9424 557667.5254 -0.0839 0.2200 PRESSURE: 4468600 -34.8432 -102.012 -56.1035 -102.011 52.6891 33.2506 -56.1039 33.2499 -83.0741 GPRESSURE: 4468600 -25.7355 -77.7081 -39.0279 -120.614 113.678 39.5936 -51.9138 127.527 -60.713 PRESSAVG: 4468600 44.7318 -38.0446 5.90527 -38.0445 0.971654 3.41989 5.90521 3.41991 -64.8184 GPRESSAVG: 4468600 44.3695 -37.987 6.35546 -38.9889 1.98978 1.73515 4.13077 3.18726 -65.8899 TIMING: 4468600 CPU: 12984.2, 0.0029122/step Wall: 12984.2, 0.0029122/step, 0.429874 hours remaining, 207.484375 MB of memory in use. ENERGY: 4468600 772.3803 2148.0957 1928.0804 116.8323 -206708.8605 18030.7306 0.0000 0.0000 34136.5087 -149576.2325 298.1226 -183712.7412 -149484.4082 298.5120 -21.7427 9.0766 557046.5899 -6.3716 -6.5102 PRESSURE: 4468800 -114.375 153.274 134.561 153.274 -369.164 38.4854 134.562 38.4857 -299.492 GPRESSURE: 4468800 -130.605 123.118 195.1 131.089 -343.093 37.6408 166.391 30.058 -198.765 PRESSAVG: 4468800 -8.50166 25.4863 -58.2723 25.4864 5.195 0.903144 -58.2722 0.903077 27.2597 GPRESSAVG: 4468800 -9.16789 26.381 -59.3031 24.9984 5.21073 2.27966 -57.6692 1.321 28.0231 TIMING: 4468800 CPU: 12984.8, 0.00292007/step Wall: 12984.8, 0.00292007/step, 0.430873 hours remaining, 207.484375 MB of memory in use. ENERGY: 4468800 775.0635 2100.5569 1923.7275 110.4248 -206589.9199 17643.7704 0.0000 0.0000 34266.9603 -149769.4164 299.2619 -184036.3767 -149675.2277 298.5274 -261.0106 -224.1542 556631.8255 7.9844 8.0220 PRESSURE: 4469000 -105.336 141.828 -238.471 141.827 185.542 35.5497 -238.473 35.5484 333.199 GPRESSURE: 4469000 -65.0143 112.544 -118.234 181.77 217.98 46.0065 -277.866 -36.1422 358.781 PRESSAVG: 4469000 13.1253 -7.18868 -8.00522 -7.18864 -27.2246 43.9028 -8.0053 43.9028 34.6088 GPRESSAVG: 4469000 13.3218 -9.14863 -10.1684 -3.73103 -27.8158 44.301 -5.81514 43.2469 34.5782 TIMING: 4469000 CPU: 12985.3, 0.00294814/step Wall: 12985.3, 0.00294814/step, 0.434851 hours remaining, 207.484375 MB of memory in use. ENERGY: 4469000 755.3908 2102.6290 1955.9957 115.2579 -206914.0378 18157.7739 0.0000 0.0000 34071.4731 -149755.5176 297.5546 -183826.9907 -149649.5480 298.2017 137.8017 170.5824 555332.8425 6.8365 6.6947 PRESSURE: 4469200 90.4916 96.2024 -8.43452 96.2028 91.0731 -125.465 -8.43507 -125.465 -157.409 GPRESSURE: 4469200 171.057 24.8068 26.8099 116.695 96.8294 -125.527 33.3748 -125.721 -150.943 PRESSAVG: 4469200 -19.5294 17.2505 10.8271 17.2505 22.8296 -6.95111 10.827 -6.95108 -5.48453 GPRESSAVG: 4469200 -18.4962 17.8379 13.4739 14.5636 22.7121 -8.41107 10.182 -6.41986 -6.5179 TIMING: 4469200 CPU: 12985.9, 0.00291171/step Wall: 12985.9, 0.00291171/step, 0.429316 hours remaining, 207.484375 MB of memory in use. ENERGY: 4469200 721.7991 2122.1630 1932.1465 121.4839 -206389.8897 17848.4603 0.0000 0.0000 33952.1375 -149691.6994 296.5125 -183643.8369 -149600.0597 298.2923 8.0519 38.9810 555540.5637 -0.7281 -0.7673 PRESSURE: 4469400 -139.866 84.395 9.29345 84.3966 17.6243 125.971 9.29421 125.971 -278.209 GPRESSURE: 4469400 -94.9831 127.433 4.17262 58.3617 -8.27009 149.476 18.5837 160 -206.397 PRESSAVG: 4469400 64.9795 31.3552 40.8589 31.3552 -98.4866 58.173 40.8589 58.1731 9.9106 GPRESSAVG: 4469400 64.7832 29.4368 40.0548 31.1722 -99.5783 59.6514 40.2815 58.7908 10.7968 TIMING: 4469400 CPU: 12986.5, 0.0029163/step Wall: 12986.5, 0.0029163/step, 0.42983 hours remaining, 207.484375 MB of memory in use. ENERGY: 4469400 763.4273 2095.4290 1953.8634 126.6914 -206479.6105 17674.8395 0.0000 0.0000 34111.4993 -149753.8606 297.9042 -183865.3599 -149668.4171 297.9946 -133.4835 -103.2167 556818.9812 -7.8655 -7.9994 PRESSURE: 4469600 80.9403 122.706 48.198 122.707 -93.8326 -143.488 48.1978 -143.488 -145.56 GPRESSURE: 4469600 59.109 79.1551 107.645 123.559 -26.1898 -103.209 39.1373 -159.716 -89.61 PRESSAVG: 4469600 8.36779 7.4138 17.1426 7.41383 -33.6247 -51.8154 17.1426 -51.8154 26.9603 GPRESSAVG: 4469600 8.21587 8.80338 17.1693 7.8076 -31.9071 -53.0073 17.5193 -51.946 25.5555 TIMING: 4469600 CPU: 12987.1, 0.00290845/step Wall: 12987.1, 0.00290845/step, 0.428512 hours remaining, 207.484375 MB of memory in use. ENERGY: 4469600 775.3411 2060.3918 1953.4966 107.8522 -206492.9805 17727.6120 0.0000 0.0000 34097.7716 -149770.5152 297.7843 -183868.2868 -149678.6432 297.9383 -52.8176 -18.8969 557168.3687 0.5678 0.6214 PRESSURE: 4469800 -148.057 23.9844 -63.514 23.983 134.391 24.9878 -63.513 24.9895 46.4937 GPRESSURE: 4469800 -123.62 77.3163 -20.2601 -57.1524 197.028 73.8131 6.742 56.2217 44.4719 PRESSAVG: 4469800 -2.04682 5.8606 3.94429 5.86054 43.8404 42.9119 3.94434 42.912 -53.637 GPRESSAVG: 4469800 -1.94347 5.29516 3.1904 3.40847 43.0995 44.4004 4.40529 42.5686 -52.9358 TIMING: 4469800 CPU: 12987.7, 0.00288437/step Wall: 12987.7, 0.00288437/step, 0.424804 hours remaining, 207.484375 MB of memory in use. ENERGY: 4469800 740.7007 2080.3866 1945.0730 111.1577 -206926.3173 18053.7124 0.0000 0.0000 34427.1987 -149568.0883 300.6613 -183995.2870 -149459.5932 298.0110 10.9425 39.2934 557516.2159 -3.9478 -3.9266 PRESSURE: 4470000 -95.8091 -94.0329 -178.353 -94.0345 -90.4693 -82.665 -178.351 -82.6668 163.527 GPRESSURE: 4470000 -24.6473 -91.0164 -37.9371 -101.217 -66.217 -64.5338 -201.186 -89.5669 172.226 PRESSAVG: 4470000 15.5131 -31.0196 44.0588 -31.0197 -44.1981 40.9897 44.0588 40.9898 25.899 GPRESSAVG: 4470000 16.7534 -31.5476 44.8688 -27.9792 -45.0423 40.1777 43.0391 40.4503 25.7481 TIMING: 4470000 CPU: 12988.2, 0.00288123/step Wall: 12988.2, 0.00288123/step, 0.424182 hours remaining, 207.484375 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: 4470000 736.4250 2132.2638 1918.4733 108.0109 -206284.7552 17836.5183 0.0000 0.0000 34087.3802 -149465.6837 297.6936 -183553.0639 -149376.0138 298.5929 -7.5837 27.1206 558973.8286 -0.9287 -0.8469 PRESSURE: 4470200 -328.135 -14.7877 124.73 -14.7889 -217.39 -14.5584 124.73 -14.558 -66.742 GPRESSURE: 4470200 -317.09 -20.4952 120.746 -36.4759 -163.335 5.93674 53.7224 -60.4822 -47.237 PRESSAVG: 4470200 -4.5772 -21.1787 -9.23404 -21.1786 39.3162 58.3703 -9.23411 58.3704 -1.67175 GPRESSAVG: 4470200 -4.11167 -20.3158 -8.24901 -23.3529 39.2011 55.4607 -8.93053 59.6921 -1.96096 TIMING: 4470200 CPU: 12988.8, 0.00290827/step Wall: 12988.8, 0.00290827/step, 0.428001 hours remaining, 207.484375 MB of memory in use. ENERGY: 4470200 763.8059 2085.7974 1942.0410 115.7876 -206225.8398 17635.8719 0.0000 0.0000 34271.5712 -149410.9648 299.3022 -183682.5360 -149314.7382 298.7890 -204.0891 -175.8875 558454.1081 11.0224 11.0428 PRESSURE: 4470400 7.97253 -86.0405 72.8615 -86.0401 -257.882 57.6114 72.8611 57.6116 -27.8149 GPRESSURE: 4470400 38.8756 -88.2208 35.6954 -49.971 -202.637 40.3884 15.0091 60.7968 -14.4922 PRESSAVG: 4470400 62.327 8.6067 -17.9111 8.6067 -43.7864 65.335 -17.9112 65.3351 -36.688 GPRESSAVG: 4470400 60.609 7.86244 -19.7961 12.0136 -43.2024 68.0286 -17.3397 64.6055 -35.385 TIMING: 4470400 CPU: 12989.4, 0.00290488/step Wall: 12989.4, 0.00290488/step, 0.42734 hours remaining, 207.484375 MB of memory in use. ENERGY: 4470400 724.0793 2106.6385 1942.9638 110.3251 -206211.9198 17713.5136 0.0000 0.0000 34199.1991 -149415.2004 298.6701 -183614.3995 -149316.6452 298.9430 -92.5749 -59.4177 557833.9394 -6.0491 -5.9928 PRESSURE: 4470600 290.028 -59.7642 -22.7077 -59.763 106.879 25.2175 -22.7091 25.2173 201.494 GPRESSURE: 4470600 332.851 -34.8657 43.3744 -110.849 190.888 -11.5817 -23.1479 41.6157 174.223 PRESSAVG: 4470600 60.7605 28.4558 21.1379 28.4558 -30.4967 15.5113 21.1379 15.5113 -36.4199 GPRESSAVG: 4470600 61.399 29.8034 22.4091 25.2532 -31.1803 15.5486 19.2761 14.7518 -36.3888 TIMING: 4470600 CPU: 12990, 0.00291061/step Wall: 12990, 0.00291061/step, 0.428021 hours remaining, 207.484375 MB of memory in use. ENERGY: 4470600 778.0493 2098.2905 1933.4301 115.6139 -206710.1872 18085.7985 0.0000 0.0000 34427.0696 -149271.9355 300.6602 -183699.0050 -149171.6943 298.9934 199.4670 232.6541 555913.0738 -2.0520 -2.0567 PRESSURE: 4470800 -28.8452 -152.669 46.4515 -152.669 -146.684 94.2896 46.4519 94.2913 -255.857 GPRESSURE: 4470800 -36.7172 -82.2698 63.5611 -162.827 -94.1439 80.3175 121.969 103.479 -206.377 PRESSAVG: 4470800 -31.7206 8.89294 -17.5655 8.89296 -41.1955 -22.9309 -17.5654 -22.9309 28.5311 GPRESSAVG: 4470800 -31.8451 9.14068 -19.1476 10.8014 -40.2959 -24.2052 -17.2259 -22.4848 27.845 TIMING: 4470800 CPU: 12990.6, 0.00290071/step Wall: 12990.6, 0.00290071/step, 0.426405 hours remaining, 207.484375 MB of memory in use. ENERGY: 4470800 774.1676 2132.4016 1958.8359 120.4793 -205896.1250 17568.0625 0.0000 0.0000 34171.2616 -149170.9166 298.4261 -183342.1781 -149073.5277 299.1326 -143.7955 -112.4128 556768.3164 -14.7950 -14.7653 PRESSURE: 4471000 -61.8674 -95.5858 90.7011 -95.587 -357.909 91.0325 90.6991 91.0332 -317.873 GPRESSURE: 4471000 -82.1118 -281.848 115.275 -37.7899 -287.185 90.2248 67.1671 101.828 -273.34 PRESSAVG: 4471000 28.7039 -37.8679 -12.0799 -37.8679 34.4051 73.8399 -12.0799 73.8397 17.5618 GPRESSAVG: 4471000 28.6378 -40.0518 -11.3713 -39.9801 33.7423 73.275 -10.7084 75.4596 18.0126 TIMING: 4471000 CPU: 12991.1, 0.00288681/step Wall: 12991.1, 0.00288681/step, 0.424201 hours remaining, 207.484375 MB of memory in use. ENERGY: 4471000 807.0758 2128.3288 1977.1760 126.3782 -206282.9857 17687.2145 0.0000 0.0000 34457.9307 -149098.8818 300.9297 -183556.8124 -149003.9944 300.2375 -245.8833 -214.2122 558327.7890 26.8903 26.7976 PRESSURE: 4471200 -259.103 110.416 -141.21 110.415 -5.12801 24.7097 -141.211 24.7096 -261.688 GPRESSURE: 4471200 -240.009 139.838 -235.384 127.409 67.8177 -17.7391 -58.8622 38.4323 -248.31 PRESSAVG: 4471200 47.8871 -18.6736 -8.24507 -18.6737 18.4344 22.1843 -8.2451 22.1843 -71.1935 GPRESSAVG: 4471200 47.9715 -18.827 -7.45665 -17.3264 19.1417 22.7576 -9.623 21.6381 -71.0033 TIMING: 4471200 CPU: 12991.7, 0.00289474/step Wall: 12991.7, 0.00289474/step, 0.425205 hours remaining, 207.484375 MB of memory in use. ENERGY: 4471200 751.6624 2114.4226 1982.0214 116.9414 -206006.6942 17620.6208 0.0000 0.0000 34507.0977 -148913.9279 301.3591 -183421.0256 -148811.4080 300.3439 -175.3066 -140.1671 557389.8158 -1.6240 -1.2967 PRESSURE: 4471400 88.5134 -104.282 201.168 -104.283 -160.099 -9.63146 201.168 -9.63219 -85.2329 GPRESSURE: 4471400 114.743 -61.2767 352.138 -131.364 -89.047 -28.7966 89.2555 -68.234 -86.6607 PRESSAVG: 4471400 49.0336 3.17181 6.01994 3.17179 -1.29398 -41.1073 6.01998 -41.1073 33.038 GPRESSAVG: 4471400 48.4696 5.58834 5.96353 2.73636 -1.90703 -40.0351 5.01576 -41.9328 33.8646 TIMING: 4471400 CPU: 12992.3, 0.0028885/step Wall: 12992.3, 0.0028885/step, 0.424128 hours remaining, 207.484375 MB of memory in use. ENERGY: 4471400 746.9937 2067.8101 1946.6587 110.9244 -205813.9070 17830.0011 0.0000 0.0000 34098.9532 -149012.5660 297.7946 -183111.5191 -148913.2235 299.7965 -52.2730 -20.3217 558437.6032 26.9259 26.8091 PRESSURE: 4471600 -181.38 -15.0468 -25.0612 -15.0468 7.45258 -128.008 -25.0605 -128.007 190.448 GPRESSURE: 4471600 -90.0549 0.034896 -62.4032 -15.1673 64.1656 -49.324 7.55853 -127.753 144.665 PRESSAVG: 4471600 -12.5637 14.7675 13.4122 14.7676 -13.3514 -0.222558 13.4122 -0.22259 25.0395 GPRESSAVG: 4471600 -12.5356 14.6665 13.798 15.5556 -12.35 -0.225598 14.1466 -0.206209 24.3871 TIMING: 4471600 CPU: 12992.9, 0.00290816/step Wall: 12992.9, 0.00290817/step, 0.426854 hours remaining, 207.484375 MB of memory in use. ENERGY: 4471600 714.5137 2160.6038 1943.4024 122.8548 -206103.4364 17808.0317 0.0000 0.0000 34165.7834 -149188.2466 298.3783 -183354.0300 -149094.0002 299.4704 5.5070 39.5918 557410.9911 -0.2919 -0.1662 PRESSURE: 4471800 -98.1795 79.1663 -154.697 79.1664 61.2341 112.756 -154.697 112.758 299.789 GPRESSURE: 4471800 -50.2698 120.506 -119.664 84.1393 82.4907 170.97 -135.793 105.487 322.382 PRESSAVG: 4471800 -29.9338 24.6731 -17.9033 24.673 -19.4313 -60.1361 -17.9033 -60.1362 76.2919 GPRESSAVG: 4471800 -29.0307 24.5016 -18.7265 22.8557 -21.4877 -60.4698 -17.8133 -58.2379 77.0582 TIMING: 4471800 CPU: 12993.5, 0.00291205/step Wall: 12993.5, 0.00291205/step, 0.427263 hours remaining, 207.484375 MB of memory in use. ENERGY: 4471800 720.7761 2122.6867 1924.3374 105.0623 -206125.2512 17852.3128 0.0000 0.0000 34189.3384 -149210.7375 298.5840 -183400.0759 -149112.1525 299.0751 87.6145 118.2008 557051.2468 8.9756 8.8466 PRESSURE: 4472000 127.827 -198.919 -42.5024 -198.92 8.19927 -9.18574 -42.5005 -9.18592 -140.016 GPRESSURE: 4472000 152.138 -122.987 0.470472 -271.803 30.4535 -1.48658 -29.1849 -61.7757 -89.5043 PRESSAVG: 4472000 -31.5863 11.6699 -23.4965 11.6698 12.5705 -42.7342 -23.4964 -42.7342 38.0982 GPRESSAVG: 4472000 -32.1975 13.0928 -22.7226 11.8415 12.8275 -44.4454 -22.0304 -44.1467 38.1774 TIMING: 4472000 CPU: 12994.1, 0.00291935/step Wall: 12994.1, 0.00291935/step, 0.428172 hours remaining, 207.484375 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: 4472000 745.6669 2120.7719 1933.2693 119.2477 -206319.9710 17803.3875 0.0000 0.0000 34454.5644 -149143.0633 300.9003 -183597.6277 -149040.1588 299.9773 -1.3300 31.0289 556042.7872 6.3608 6.2691 PRESSURE: 4472200 204.976 -132.316 -174.273 -132.315 43.247 70.1529 -174.272 70.1519 34.1848 GPRESSURE: 4472200 217.934 -154.028 -252.316 -44.3648 163.225 50.9566 -170.052 46.6325 5.55289 PRESSAVG: 4472200 31.5277 23.4181 31.1899 23.4181 9.30861 -79.2392 31.19 -79.2393 -33.2069 GPRESSAVG: 4472200 32.6135 20.7902 30.9623 24.3252 9.24658 -76.8402 29.6365 -80.2807 -34.4775 TIMING: 4472200 CPU: 12994.6, 0.00291625/step Wall: 12994.6, 0.00291625/step, 0.427555 hours remaining, 207.484375 MB of memory in use. ENERGY: 4472200 746.0592 2102.0931 1966.6078 118.7469 -206119.6771 17849.9524 0.0000 0.0000 34157.9274 -149178.2904 298.3097 -183336.2178 -149078.9150 299.9726 94.1360 128.9042 556872.0922 2.5431 2.4609 LDB: ============= START OF LOAD BALANCING ============== 12998.1 LDB: ============== END OF LOAD BALANCING =============== 12998.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12998.1 LDB: ============= START OF LOAD BALANCING ============== 12998.4 LDB: Largest compute 4848 load 0.029183 is 24.8% of average load 0.117746 LDB: Average compute 0.001742 is 1.5% of average load 0.117746 LDB: TIME 12998.4 LOAD: AVG 0.117746 MAX 0.181131 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.5 MB LDB: TIME 12998.4 LOAD: AVG 0.117746 MAX 0.181131 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: TIME 12998.4 LOAD: AVG 0.117746 MAX 0.181131 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.508 MB LDB: ============== END OF LOAD BALANCING =============== 12998.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12998.4 PRESSURE: 4472400 -247.141 -136.536 -39.021 -136.537 -126.527 -64.7261 -39.0214 -64.7261 -242.806 GPRESSURE: 4472400 -227.148 -164.511 -44.3902 -206.333 -106.368 -21.3429 -121.567 -59.6914 -175.622 PRESSAVG: 4472400 -8.50226 -15.9654 -26.3051 -15.9653 4.99613 15.4226 -26.3051 15.4226 12.7922 GPRESSAVG: 4472400 -9.34602 -14.8528 -27.739 -15.1279 5.41115 15.2538 -26.9083 14.6474 14.0873 TIMING: 4472400 CPU: 12995.2, 0.0029645/step Wall: 12995.2, 0.0029645/step, 0.434463 hours remaining, 207.632812 MB of memory in use. ENERGY: 4472400 739.9637 2155.7057 1943.9424 110.3843 -206134.7652 17666.7256 0.0000 0.0000 34238.6611 -149279.3825 299.0147 -183518.0436 -149190.7710 299.0540 -205.4914 -169.7125 558122.9434 3.0954 3.3841 PRESSURE: 4472600 -184.963 -70.804 19.049 -70.8035 124.277 -89.5287 19.0493 -89.5282 -7.0645 GPRESSURE: 4472600 -183.1 -66.9894 -10.4612 10.7573 171.388 -114.132 96.9348 -75.5987 28.4438 PRESSAVG: 4472600 3.01297 8.23186 18.5363 8.23188 -12.7981 34.1521 18.5363 34.1521 -49.1849 GPRESSAVG: 4472600 2.8113 5.25036 19.9884 7.66751 -13.044 34.7692 21.7735 35.6897 -49.3018 TIMING: 4472600 CPU: 12995.8, 0.00288794/step Wall: 12995.8, 0.00288794/step, 0.423083 hours remaining, 207.703125 MB of memory in use. ENERGY: 4472600 746.7101 2044.6201 1968.9363 97.2108 -206448.3729 17975.2445 0.0000 0.0000 34366.5598 -149249.0913 300.1317 -183615.6511 -149154.8995 299.2388 -22.5837 5.5771 557578.7063 -19.6567 -19.8448 PRESSURE: 4472800 -368.214 -113.13 154.832 -113.131 -249.552 -68.754 154.833 -68.7524 42.9088 GPRESSURE: 4472800 -330.636 -85.4599 169.752 -145.51 -210.427 -57.9568 147.459 -77.558 77.8998 PRESSAVG: 4472800 -41.0577 -46.3715 43.0527 -46.3715 0.57693 4.99671 43.0528 4.99685 15.1726 GPRESSAVG: 4472800 -40.8743 -46.9286 41.125 -45.1108 0.97611 5.03136 41.3511 4.30925 14.2751 TIMING: 4472800 CPU: 12996.4, 0.00288902/step Wall: 12996.4, 0.00288902/step, 0.423081 hours remaining, 207.703125 MB of memory in use. ENERGY: 4472800 718.0717 2102.0536 1955.3290 120.3350 -206053.5072 17597.2785 0.0000 0.0000 34209.2459 -149351.1936 298.7579 -183560.4395 -149250.0768 299.4785 -191.6193 -154.3879 558524.9349 -8.4361 -8.5410 PRESSURE: 4473000 -70.5237 -35.9865 -144.592 -35.9868 42.3657 237.433 -144.591 237.432 240.601 GPRESSURE: 4473000 -26.9354 -69.1345 -104.454 3.36034 99.5454 193.933 -249.465 200.454 254.04 PRESSAVG: 4473000 15.9246 -48.831 -45.619 -48.831 -37.2509 1.52515 -45.619 1.52515 3.90162 GPRESSAVG: 4473000 16.3923 -46.9274 -43.8879 -51.0751 -36.9491 0.316048 -45.5174 2.55037 3.86099 TIMING: 4473000 CPU: 12997, 0.00290191/step Wall: 12997, 0.00290191/step, 0.424807 hours remaining, 207.703125 MB of memory in use. ENERGY: 4473000 722.2697 2126.2250 1980.7166 120.2149 -206470.1090 17981.5625 0.0000 0.0000 34177.0687 -149362.0515 298.4768 -183539.1202 -149270.6065 299.3743 70.8142 108.8835 556436.5584 -5.8082 -5.5653 PRESSURE: 4473200 295.482 -145.802 -24.0226 -145.802 36.0447 -19.2372 -24.0222 -19.2374 -120.946 GPRESSURE: 4473200 313.712 -169.602 -98.6227 -98.5684 104.276 -82.1037 85.2473 79.9839 -114.714 PRESSAVG: 4473200 -6.2171 -34.5105 -21.1862 -34.5104 -34.4807 -16.6915 -21.1862 -16.6915 37.71 GPRESSAVG: 4473200 -7.70784 -33.6555 -21.4053 -33.5746 -33.1385 -16.2731 -20.419 -15.619 37.5345 TIMING: 4473200 CPU: 12997.5, 0.0028969/step Wall: 12997.5, 0.0028969/step, 0.423913 hours remaining, 207.828125 MB of memory in use. ENERGY: 4473200 742.8951 2072.3688 1978.5257 119.2933 -206692.2107 18031.1436 0.0000 0.0000 34313.7272 -149434.2571 299.6703 -183747.9843 -149336.3206 298.5547 70.1936 101.0915 556989.3683 -0.9959 -1.1040 PRESSURE: 4473400 178.238 63.9948 -29.9282 63.9935 -100.332 12.7137 -29.9277 12.7127 12.8052 GPRESSURE: 4473400 219.025 30.0883 -32.9876 91.2943 -94.9714 -34.4027 -14.6522 -45.2443 62.4067 PRESSAVG: 4473400 66.1421 -18.4581 12.8295 -18.4582 8.07307 11.0675 12.8295 11.0676 -46.1138 GPRESSAVG: 4473400 66.9902 -20.3559 11.9569 -17.8973 6.56158 9.42955 12.6178 11.0102 -45.7971 TIMING: 4473400 CPU: 12998.1, 0.00289934/step Wall: 12998.1, 0.00289934/step, 0.424109 hours remaining, 207.828125 MB of memory in use. ENERGY: 4473400 742.6930 2070.6313 1955.8677 118.5702 -206542.3086 18002.9491 0.0000 0.0000 34163.6394 -149487.9579 298.3596 -183651.5973 -149392.1631 298.4679 30.2372 62.1536 558134.3672 9.3671 9.2516 PRESSURE: 4473600 198.677 110.649 2.44595 110.648 71.0619 -152.515 2.44624 -152.514 167.633 GPRESSURE: 4473600 260.536 101.991 -79.5997 191.823 64.3556 -116.135 37.7326 -129.841 208.304 PRESSAVG: 4473600 18.5575 -33.0938 -13.8976 -33.0938 38.6406 25.0545 -13.8977 25.0544 -18.5411 GPRESSAVG: 4473600 19.1951 -32.8315 -13.1142 -35.5116 39.361 24.9828 -11.2322 25.1157 -20.0756 TIMING: 4473600 CPU: 12998.7, 0.00288221/step Wall: 12998.7, 0.00288221/step, 0.421443 hours remaining, 207.828125 MB of memory in use. ENERGY: 4473600 745.2286 2093.3452 1954.8839 118.7325 -206581.6847 18158.8618 0.0000 0.0000 34156.7167 -149353.9159 298.2991 -183510.6326 -149258.2164 298.8108 145.7907 177.7317 557954.4639 12.8857 12.8268 PRESSURE: 4473800 32.0647 -56.3169 26.1356 -56.3178 184.399 -140.452 26.1357 -140.453 -161.604 GPRESSURE: 4473800 48.4486 -17.2062 129.499 -77.4993 220.184 -152.545 -47.3279 -64.3421 -135.742 PRESSAVG: 4473800 5.07479 -40.3171 13.3675 -40.3171 77.7729 39.551 13.3675 39.551 -44.4556 GPRESSAVG: 4473800 4.32523 -39.3013 15.3684 -38.9605 77.2474 40.6079 10.8624 38.6625 -43.8311 TIMING: 4473800 CPU: 12999.3, 0.00288472/step Wall: 12999.3, 0.00288472/step, 0.421649 hours remaining, 208.031250 MB of memory in use. ENERGY: 4473800 741.6220 2078.3794 1973.4613 127.9423 -206201.9943 17785.7152 0.0000 0.0000 34115.9684 -149378.9058 297.9432 -183494.8741 -149286.3720 299.3298 18.2864 44.2969 556039.5715 12.7974 12.5805 PRESSURE: 4474000 50.1759 -54.7725 -5.17369 -54.7732 -144.059 -19.2985 -5.17523 -19.2983 -101.444 GPRESSURE: 4474000 99.4815 -23.543 54.474 4.21825 -135.577 -18.1219 51.1351 -69.8684 -67.9467 PRESSAVG: 4474000 7.8064 3.36485 4.07112 3.36481 -0.238919 -52.2079 4.07127 -52.2079 0.200035 GPRESSAVG: 4474000 7.54327 2.68398 4.48933 3.69327 -0.254541 -52.4239 4.31226 -51.7959 0.45072 TIMING: 4474000 CPU: 12999.9, 0.00288691/step Wall: 12999.9, 0.00288691/step, 0.42181 hours remaining, 208.031250 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: 4474000 759.2027 2058.9689 1962.5751 110.7617 -205854.2496 17499.7885 0.0000 0.0000 34267.1163 -149195.8364 299.2632 -183462.9526 -149098.4928 299.4500 -65.1090 -34.6807 557227.2598 2.5892 2.5798 PRESSURE: 4474200 101.334 64.64 69.3284 64.6413 -41.2299 -76.298 69.3283 -76.2975 48.967 GPRESSURE: 4474200 163.251 34.7163 44.16 105.799 -11.2466 -65.3241 92.7672 -165.369 58.8901 PRESSAVG: 4474200 4.52091 -10.4031 -45.7434 -10.4031 -5.62596 -69.4364 -45.7433 -69.4363 7.56974 GPRESSAVG: 4474200 4.55055 -11.3454 -48.0444 -11.5003 -5.59866 -69.3021 -46.3966 -70.4263 7.73867 TIMING: 4474200 CPU: 13000.4, 0.00288704/step Wall: 13000.4, 0.00288704/step, 0.421668 hours remaining, 208.031250 MB of memory in use. ENERGY: 4474200 713.6947 2071.5648 1949.5230 107.1035 -206281.6732 17853.5064 0.0000 0.0000 34306.3705 -149279.9102 299.6061 -183586.2807 -149183.3878 299.3012 36.3570 70.2981 558622.9649 2.1549 2.2302 PRESSURE: 4474400 93.2692 92.1634 -20.7485 92.1635 81.4217 -220.452 -20.7468 -220.453 -91.9858 GPRESSURE: 4474400 82.5766 98.2227 10.6477 68.2447 151.642 -283.874 -58.2479 -140.104 -41.4729 PRESSAVG: 4474400 31.9475 15.4409 -52.1795 15.4409 -22.3249 -34.504 -52.1796 -34.504 -5.30703 GPRESSAVG: 4474400 30.6776 18.0439 -51.2105 15.2973 -21.1437 -34.62 -51.0779 -34.8916 -4.94343 TIMING: 4474400 CPU: 13001, 0.00291004/step Wall: 13001, 0.00291004/step, 0.424866 hours remaining, 208.031250 MB of memory in use. ENERGY: 4474400 720.7784 2079.2132 1938.5447 110.8648 -206395.2225 18048.1849 0.0000 0.0000 34333.3309 -149164.3057 299.8415 -183497.6366 -149075.6281 298.7254 27.5684 64.2486 557756.3434 1.4385 1.5301 PRESSURE: 4474600 -129.343 -14.6024 75.3893 -14.6035 64.3323 -151.808 75.3903 -151.809 62.1842 GPRESSURE: 4474600 -15.9995 -64.1991 137.223 93.7981 46.551 -175.435 29.8991 -85.2168 67.0781 PRESSAVG: 4474600 27.9267 17.333 -1.95202 17.3329 -83.4468 -53.0259 -1.95214 -53.026 10.3032 GPRESSAVG: 4474600 27.8308 16.0055 -5.09178 18.1817 -84.6489 -53.0436 -1.85675 -49.83 10.771 TIMING: 4474600 CPU: 13001.6, 0.00288519/step Wall: 13001.6, 0.00288519/step, 0.421077 hours remaining, 208.031250 MB of memory in use. ENERGY: 4474600 746.9849 2058.2585 1939.7157 104.9731 -205983.7034 17618.1603 0.0000 0.0000 34279.4356 -149236.1753 299.3708 -183515.6110 -149144.9638 299.2436 -0.9423 32.5432 555741.5490 -15.0723 -15.3490 PRESSURE: 4474800 -36.039 -55.3987 11.2608 -55.3982 -175.981 -76.3133 11.2592 -76.3132 -207.35 GPRESSURE: 4474800 13.0949 -160.159 97.0035 -4.88248 -158.974 -107.587 -104.25 -114.974 -176.585 PRESSAVG: 4474800 46.0456 -31.1016 19.7734 -31.1016 23.2073 -57.9275 19.7733 -57.9274 -50.8643 GPRESSAVG: 4474800 47.2022 -29.8785 22.2383 -31.0847 23.2583 -57.2084 18.1165 -61.2332 -52.2753 TIMING: 4474800 CPU: 13002.2, 0.00290417/step Wall: 13002.2, 0.00290417/step, 0.423686 hours remaining, 208.031250 MB of memory in use. ENERGY: 4474800 743.6930 2025.0088 1946.5549 114.0127 -205695.9729 17558.5243 0.0000 0.0000 34115.0024 -149193.1768 297.9348 -183308.1792 -149095.5151 298.5858 -139.7902 -107.4880 557950.8568 6.1295 6.0617 PRESSURE: 4475000 -238.794 12.9208 -137.763 12.9194 26.0367 60.3621 -137.764 60.3641 210.581 GPRESSURE: 4475000 -153.56 16.9026 -145.335 -3.27157 66.5592 119.685 -98.5877 42.3193 183.862 PRESSAVG: 4475000 33.796 28.6986 -13.9772 28.6984 36.2402 -18.2025 -13.977 -18.2024 -54.0946 GPRESSAVG: 4475000 32.7638 28.9547 -15.985 26.5481 36.3428 -19.8759 -10.3245 -18.7988 -53.6166 TIMING: 4475000 CPU: 13002.8, 0.00290944/step Wall: 13002.8, 0.00290944/step, 0.424293 hours remaining, 208.031250 MB of memory in use. ENERGY: 4475000 737.3540 2086.1321 1953.7867 116.5225 -206102.5008 17723.4920 0.0000 0.0000 34333.9778 -149151.2357 299.8472 -183485.2135 -149046.1731 299.1143 -0.7251 32.2868 557072.3961 5.3139 5.1633 PRESSURE: 4475200 -81.0807 -32.695 114.7 -32.695 -253.37 113.695 114.7 113.694 -266.463 GPRESSURE: 4475200 -48.3156 -44.14 115.103 10.8433 -164.556 199.379 151.191 31.3068 -286.137 PRESSAVG: 4475200 66.4503 -2.92237 58.6392 -2.92243 51.0243 0.0958631 58.6393 0.095979 -109.929 GPRESSAVG: 4475200 67.3648 -6.52233 59.1592 0.476936 51.5549 0.097417 56.47 2.50963 -111.108 TIMING: 4475200 CPU: 13003.3, 0.0028965/step Wall: 13003.3, 0.0028965/step, 0.422245 hours remaining, 208.031250 MB of memory in use. ENERGY: 4475200 775.8618 2062.0088 1924.6685 108.3827 -205874.2057 17528.6031 0.0000 0.0000 34384.6368 -149090.0440 300.2896 -183474.6808 -148993.5198 299.5010 -200.3044 -166.3362 558120.1028 2.5152 2.6038 PRESSURE: 4475400 59.9879 64.6652 -32.3817 64.6629 -123.795 64.1076 -32.3826 64.1081 -311.043 GPRESSURE: 4475400 62.1825 104.961 -46.1798 30.5846 -149.239 23.3017 -36.2186 119.889 -193.125 PRESSAVG: 4475400 54.2044 34.6986 6.01449 34.6986 2.84847 -2.46693 6.01454 -2.46686 -60.4019 GPRESSAVG: 4475400 53.8313 38.271 5.43073 33.0286 1.30002 -0.628742 5.8981 -4.03329 -58.5829 TIMING: 4475400 CPU: 13003.9, 0.00291423/step Wall: 13003.9, 0.00291423/step, 0.424668 hours remaining, 208.031250 MB of memory in use. ENERGY: 4475400 770.2435 2145.6951 1956.8402 105.9599 -205934.8557 17479.3077 0.0000 0.0000 34394.1858 -149082.6236 300.3730 -183476.8093 -148983.0355 299.7455 -124.9503 -93.3937 557652.7853 -1.1163 -1.1505 PRESSURE: 4475600 -48.6734 36.578 -142.017 36.5775 -192.156 56.9812 -142.019 56.979 -69.8089 GPRESSURE: 4475600 -4.04454 21.0963 -75.8251 36.2661 -165.497 154.497 -172.373 -15.3931 -50.2366 PRESSAVG: 4475600 89.4787 2.89101 -19.9589 2.89094 -72.4309 3.16128 -19.9589 3.16128 -7.80811 GPRESSAVG: 4475600 91.6391 1.98305 -16.7862 0.633082 -72.6932 3.98413 -19.8444 3.18912 -9.28693 TIMING: 4475600 CPU: 13004.5, 0.00290994/step Wall: 13004.5, 0.00290994/step, 0.423882 hours remaining, 208.031250 MB of memory in use. ENERGY: 4475600 791.0018 2049.6058 1949.6899 105.8309 -206047.3010 17721.1366 0.0000 0.0000 34319.4433 -149110.5927 299.7202 -183430.0360 -149008.3354 299.5345 -103.5460 -73.2595 556800.8060 3.0799 3.2197 PRESSURE: 4475800 -61.9225 -88.7987 61.6824 -88.7991 -246.564 -41.4443 61.6821 -41.4442 -258.306 GPRESSURE: 4475800 -37.2506 -30.5237 83.2771 -35.4803 -194.598 -40.3539 37.9989 26.5752 -233.827 PRESSAVG: 4475800 42.611 -22.9994 -5.73315 -22.9994 -132.159 51.1401 -5.73319 51.14 64.3865 GPRESSAVG: 4475800 41.1581 -23.8181 -9.92886 -21.1727 -131.392 49.6005 -3.04133 52.0183 65.5509 TIMING: 4475800 CPU: 13005.1, 0.00290321/step Wall: 13005.1, 0.00290321/step, 0.42274 hours remaining, 208.031250 MB of memory in use. ENERGY: 4475800 745.3834 2126.0863 1948.5313 91.8586 -205909.2680 17389.7690 0.0000 0.0000 34442.5996 -149165.0397 300.7958 -183607.6393 -149069.1162 299.2498 -188.9308 -155.2250 557251.3814 -8.3870 -8.2278 PRESSURE: 4476000 -144.761 63.9952 -18.2791 63.995 147.876 -11.6818 -18.2797 -11.6827 30.9426 GPRESSURE: 4476000 -98.0534 70.1607 -74.6261 93.2645 143.255 -15.1972 -55.6047 15.67 79.078 PRESSAVG: 4476000 106.127 64.0729 24.4499 64.0729 -31.3988 43.8212 24.4499 43.8211 -20.5286 GPRESSAVG: 4476000 105.585 64.1621 26.9427 63.8267 -30.7509 44.5852 22.7502 42.7816 -20.8689 TIMING: 4476000 CPU: 13005.7, 0.00291502/step Wall: 13005.7, 0.00291502/step, 0.424298 hours remaining, 208.031250 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: 4476000 767.0601 2086.9445 1955.4462 112.0025 -205780.8005 17702.0029 0.0000 0.0000 34063.2112 -149094.1331 297.4825 -183157.3443 -148997.2358 299.4695 11.3524 41.4266 557909.7607 18.0663 17.9884 PRESSURE: 4476200 -101.036 13.6284 -184.937 13.6293 -193.583 -52.0271 -184.937 -52.0285 -186.51 GPRESSURE: 4476200 -50.9739 24.2077 -183.275 103.378 -204.377 -72.4119 -266.973 4.60023 -132.045 PRESSAVG: 4476200 8.46683 1.92778 5.54253 1.92771 -30.9147 61.3062 5.54259 61.3063 4.34645 GPRESSAVG: 4476200 8.81668 1.18137 5.04152 1.50868 -31.2136 59.4765 4.09568 62.8076 4.39484 TIMING: 4476200 CPU: 13006.2, 0.00291731/step Wall: 13006.2, 0.00291731/step, 0.424469 hours remaining, 208.031250 MB of memory in use. ENERGY: 4476200 783.6230 2125.9727 1934.2342 112.7619 -205805.7480 17504.6739 0.0000 0.0000 34422.9340 -148921.5481 300.6240 -183344.4822 -148831.9204 299.8521 -160.3765 -129.1320 558680.4168 -6.0338 -6.0007 LDB: ============= START OF LOAD BALANCING ============== 13009.7 LDB: ============== END OF LOAD BALANCING =============== 13009.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13009.7 LDB: ============= START OF LOAD BALANCING ============== 13010 LDB: Largest compute 4848 load 0.028241 is 24.0% of average load 0.117760 LDB: Average compute 0.001741 is 1.5% of average load 0.117760 LDB: TIME 13010 LOAD: AVG 0.11776 MAX 0.180391 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207 MB LDB: TIME 13010 LOAD: AVG 0.11776 MAX 0.180391 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: TIME 13010 LOAD: AVG 0.11776 MAX 0.180391 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13010 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13010 PRESSURE: 4476400 170.454 -77.2288 -92.7011 -77.2295 -0.688305 30.5429 -92.7011 30.5436 -168.337 GPRESSURE: 4476400 214.978 -88.7009 -106.052 -38.7821 -0.297872 49.5539 -74.5274 63.6463 -133.284 PRESSAVG: 4476400 48.7558 -8.87463 -7.13645 -8.8747 -22.9753 14.8064 -7.13645 14.8065 -38.902 GPRESSAVG: 4476400 49.2562 -8.4045 -4.58323 -9.83988 -23.4687 15.3414 -6.73569 13.9763 -38.6431 TIMING: 4476400 CPU: 13006.8, 0.00295964/step Wall: 13006.8, 0.00295964/step, 0.430463 hours remaining, 208.183594 MB of memory in use. ENERGY: 4476400 749.7237 2101.0133 1949.2355 112.5250 -205723.8115 17621.3106 0.0000 0.0000 34291.0730 -148898.9305 299.4725 -183190.0035 -148803.0612 299.7611 0.4760 27.1323 557431.5084 -4.3738 -4.2852 PRESSURE: 4476600 140.651 32.6304 174.391 32.6308 87.1834 -6.47085 174.392 -6.47132 46.8646 GPRESSURE: 4476600 164.528 11.101 227.313 -46.3564 146.93 95.2494 89.9509 -16.7738 57.1682 PRESSAVG: 4476600 42.8152 -32.543 -31.0961 -32.5431 78.5341 -11.0871 -31.0961 -11.0872 -127.768 GPRESSAVG: 4476600 42.8667 -30.1935 -31.092 -31.6972 78.6823 -11.5127 -31.783 -9.14658 -128.207 TIMING: 4476600 CPU: 13007.4, 0.00289168/step Wall: 13007.4, 0.00289168/step, 0.420418 hours remaining, 208.253906 MB of memory in use. ENERGY: 4476600 753.7877 2054.8860 1971.1827 114.4491 -205869.2788 17870.5415 0.0000 0.0000 34195.7656 -148908.6663 298.6401 -183104.4319 -148813.7418 299.4810 91.5664 122.8753 557080.2578 -2.1395 -2.2195 PRESSURE: 4476800 287.269 102.185 -39.2921 102.185 -237.31 224.508 -39.2919 224.509 -27.5506 GPRESSURE: 4476800 241.139 46.3656 -34.9572 124.132 -161.823 176.632 -52.3014 250.342 34.4598 PRESSAVG: 4476800 6.52913 -24.5592 2.2267 -24.5591 42.4439 -32.2894 2.22667 -32.2894 -15.5286 GPRESSAVG: 4476800 5.39236 -27.1683 0.612002 -23.0371 42.6067 -29.7798 4.23572 -32.9499 -15.1423 TIMING: 4476800 CPU: 13008, 0.00289725/step Wall: 13008, 0.00289725/step, 0.421067 hours remaining, 208.253906 MB of memory in use. ENERGY: 4476800 701.6961 2112.7615 1966.5096 111.0351 -205989.9175 17737.1184 0.0000 0.0000 34578.2428 -148782.5540 301.9804 -183360.7968 -148690.8168 300.2258 7.4695 37.9251 557939.9860 11.1482 10.9523 PRESSURE: 4477000 -290.355 -89.5607 53.5683 -89.5607 -196.895 -36.3564 53.5691 -36.3557 -381.572 GPRESSURE: 4477000 -294.671 -170.11 -1.04238 -40.2805 -134.82 -17.2581 49.3995 -51.8252 -351.104 PRESSAVG: 4477000 14.3888 -28.5435 -11.2664 -28.5436 -29.4921 27.0164 -11.2664 27.0165 -17.0775 GPRESSAVG: 4477000 13.567 -27.3422 -10.4735 -30.4797 -29.0421 25.5489 -13.0571 25.0396 -17.1647 TIMING: 4477000 CPU: 13008.6, 0.00290608/step Wall: 13008.6, 0.00290608/step, 0.422189 hours remaining, 208.253906 MB of memory in use. ENERGY: 4477000 789.6170 2118.1168 1949.1311 123.0409 -205545.0626 17368.9478 0.0000 0.0000 34325.4722 -148870.7368 299.7729 -183196.2091 -148770.3456 300.3140 -289.6072 -260.1983 559499.3792 -10.7269 -10.8799 PRESSURE: 4477200 -153.473 46.5368 11.9711 46.5376 -30.706 120.026 11.9705 120.028 -343.545 GPRESSURE: 4477200 -133.952 76.6215 45.6911 -53.658 29.2917 139.919 69.6661 9.22292 -333.127 PRESSAVG: 4477200 10.367 -41.0625 -24.2658 -41.0624 38.4129 -16.6057 -24.2658 -16.6057 -14.7466 GPRESSAVG: 4477200 11.6268 -40.9003 -25.4694 -40.4813 38.3629 -18.2864 -22.6892 -14.6481 -15.7591 TIMING: 4477200 CPU: 13009.2, 0.00292527/step Wall: 13009.2, 0.00292527/step, 0.424814 hours remaining, 208.253906 MB of memory in use. ENERGY: 4477200 737.1836 2099.9784 1981.2650 121.5384 -205697.7557 17497.1865 0.0000 0.0000 34390.2136 -148870.3901 300.3383 -183260.6037 -148771.1230 300.2650 -175.9080 -145.9294 560257.0432 11.3444 11.4102 PRESSURE: 4477400 -130.984 -0.314128 53.2424 -0.3136 -206.29 -7.13784 53.2426 -7.13599 -209.124 GPRESSURE: 4477400 -100.624 1.18628 5.42734 -29.9597 -148.736 -97.5915 75.3208 -71.5686 -220.944 PRESSAVG: 4477400 -39.8941 81.3224 -20.3006 81.3224 25.2014 -50.5446 -20.3007 -50.5445 -20.9992 GPRESSAVG: 4477400 -40.134 80.9822 -19.6482 79.3879 24.8379 -46.4965 -20.4725 -52.5284 -20.5303 TIMING: 4477400 CPU: 13009.7, 0.00290389/step Wall: 13009.7, 0.00290389/step, 0.421548 hours remaining, 208.253906 MB of memory in use. ENERGY: 4477400 801.9503 2180.0696 1961.9771 110.0546 -206232.6117 17710.1292 0.0000 0.0000 34523.5023 -148944.9286 301.5023 -183468.4309 -148847.0508 300.5846 -182.1327 -156.7680 559701.1295 -11.8973 -11.9421 PRESSURE: 4477600 -170.512 78.0769 -5.27535 78.0763 -34.2318 -115.841 -5.27541 -115.842 -80.0131 GPRESSURE: 4477600 -144.463 5.97355 -100.337 55.0809 31.4338 -147.67 31.9446 -150.491 -79.9986 PRESSAVG: 4477600 22.0177 -57.5017 26.1523 -57.5017 10.7716 -27.2412 26.1524 -27.2412 -52.316 GPRESSAVG: 4477600 22.2654 -56.45 26.139 -56.0278 10.0486 -29.8239 25.8874 -24.9476 -52.1777 TIMING: 4477600 CPU: 13010.3, 0.00290752/step Wall: 13010.3, 0.00290752/step, 0.421914 hours remaining, 208.253906 MB of memory in use. ENERGY: 4477600 753.9475 2086.9563 1927.2273 113.5687 -206008.1276 17798.2579 0.0000 0.0000 34290.2709 -149037.8991 299.4655 -183328.1699 -148943.4860 300.7477 -94.9189 -64.3425 557920.3034 -6.5089 -6.6212 PRESSURE: 4477800 48.316 -228.777 -207.553 -228.777 -220.771 -6.45933 -207.554 -6.45925 -107.493 GPRESSURE: 4477800 102.79 -177.616 -129.289 -255.723 -240.593 24.5887 -284.662 -125.717 -31.9935 PRESSAVG: 4477800 16.4809 4.88949 -32.7192 4.88953 25.3819 -35.0626 -32.7192 -35.0625 -29.9525 GPRESSAVG: 4477800 16.3702 6.17944 -32.674 5.24549 24.8346 -34.5598 -33.1479 -35.1706 -29.5667 TIMING: 4477800 CPU: 13010.9, 0.00292204/step Wall: 13010.9, 0.00292204/step, 0.423858 hours remaining, 208.253906 MB of memory in use. ENERGY: 4477800 759.0047 2077.3828 1928.1906 119.6046 -205877.9862 17833.4833 0.0000 0.0000 34293.8112 -148866.5089 299.4964 -183160.3202 -148773.2289 299.6369 -93.3159 -56.5988 558055.1037 3.9701 3.8794 PRESSURE: 4478000 -189.507 29.2583 87.9727 29.2579 -7.30227 -106.887 87.9738 -106.887 -157.691 GPRESSURE: 4478000 -105.304 -16.9976 61.1515 57.9257 25.2296 -40.1901 147.929 -182.469 -172.521 PRESSAVG: 4478000 0.57661 -38.5079 -34.1112 -38.5079 21.4601 -9.67268 -34.1111 -9.67269 -22.0738 GPRESSAVG: 4478000 0.863098 -41.7423 -34.0989 -36.981 22.3067 -10.8566 -33.9769 -11.3119 -23.7766 TIMING: 4478000 CPU: 13011.5, 0.00288859/step Wall: 13011.5, 0.00288859/step, 0.418846 hours remaining, 208.253906 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: 4478000 765.3857 2058.6708 1937.5154 118.9268 -205870.9588 17677.0626 0.0000 0.0000 34420.4402 -148892.9574 300.6023 -183313.3976 -148786.6691 300.2456 -118.1668 -84.1984 558775.3713 -0.0124 -0.2023 PRESSURE: 4478200 -25.0607 -9.7441 1.18848 -9.74418 20.83 -6.69029 1.18867 -6.6908 -48.1564 GPRESSURE: 4478200 -2.31119 7.24434 38.4793 -4.71994 51.7338 -7.12196 -18.4047 -56.282 -11.9526 PRESSAVG: 4478200 -34.7237 11.8921 15.364 11.8922 66.0227 -5.30838 15.364 -5.30829 -22.6858 GPRESSAVG: 4478200 -34.2585 13.1213 16.4723 11.6346 65.0707 -2.90576 16.2535 -5.74102 -21.8591 TIMING: 4478200 CPU: 13012.1, 0.0029069/step Wall: 13012.1, 0.0029069/step, 0.421339 hours remaining, 208.253906 MB of memory in use. ENERGY: 4478200 769.8475 2103.5325 1909.9298 115.8483 -206173.8368 17862.1169 0.0000 0.0000 34418.7770 -148993.7849 300.5877 -183412.5620 -148903.4790 300.2156 -17.4624 12.4900 557552.2193 2.8711 2.9844 PRESSURE: 4478400 -9.41087 -1.41278 50.9615 -1.41277 83.1588 -63.8917 50.962 -63.8917 -66.4779 GPRESSURE: 4478400 8.01537 -49.0091 12.7468 19.8276 110.543 -22.0552 75.8129 -79.4507 -10.8157 PRESSAVG: 4478400 -1.80098 3.78011 22.1549 3.78015 59.7399 -32.253 22.1549 -32.253 -48.9671 GPRESSAVG: 4478400 -2.19884 3.54532 18.7833 2.94108 59.5573 -33.5727 22.2207 -30.2117 -48.0007 TIMING: 4478400 CPU: 13012.7, 0.0029126/step Wall: 13012.7, 0.0029126/step, 0.422004 hours remaining, 208.253906 MB of memory in use. ENERGY: 4478400 779.6190 2093.3412 1951.6595 101.9644 -206342.8791 18069.1619 0.0000 0.0000 34281.9243 -149065.2087 299.3926 -183347.1330 -148974.3354 299.6690 2.4234 35.9141 557106.3075 2.9906 3.1193 PRESSURE: 4478600 53.3214 136.324 -148.471 136.323 -161.085 92.9302 -148.472 92.9313 -31.5986 GPRESSURE: 4478600 95.7903 14.4003 -232.107 202.745 -106.888 106.777 -140.924 -25.6607 -23.6692 PRESSAVG: 4478600 -1.39702 -12.0701 -16.3232 -12.0701 -8.6789 -2.71603 -16.3232 -2.71603 12.0182 GPRESSAVG: 4478600 -2.05312 -12.329 -13.6017 -11.4604 -7.46294 -1.87507 -17.0393 -4.70775 11.2939 TIMING: 4478600 CPU: 13013.2, 0.00289721/step Wall: 13013.2, 0.00289721/step, 0.419613 hours remaining, 208.253906 MB of memory in use. ENERGY: 4478600 797.4592 2049.7162 1970.0190 109.9443 -206360.5027 18021.0062 0.0000 0.0000 34249.7622 -149162.5956 299.1117 -183412.3578 -149069.4453 298.8592 -46.4540 -11.5890 557015.3539 0.6474 0.5926 PRESSURE: 4478800 -184.142 164.718 59.3089 164.719 -71.6795 53.3252 59.3094 53.3238 -152.38 GPRESSURE: 4478800 -166.594 147.051 86.5287 111.754 -53.4038 35.095 27.7787 112.567 -85.4996 PRESSAVG: 4478800 -2.47964 16.1629 8.99739 16.1628 -7.23438 -17.6352 8.9973 -17.6351 4.4064 GPRESSAVG: 4478800 -1.96685 17.1597 8.31084 13.8007 -7.39269 -19.5362 7.0288 -17.1934 4.39091 TIMING: 4478800 CPU: 13013.8, 0.0028961/step Wall: 13013.8, 0.0028961/step, 0.419291 hours remaining, 208.253906 MB of memory in use. ENERGY: 4478800 766.7781 2105.0345 1942.6389 115.8865 -205912.7131 17697.3979 0.0000 0.0000 34172.6934 -149112.2837 298.4386 -183284.9772 -149016.5278 299.3944 -136.0674 -101.8326 558236.8650 -1.7692 -1.6562 PRESSURE: 4479000 -224.564 122.812 73.0834 122.81 201.969 91.2306 73.0851 91.2298 -111.588 GPRESSURE: 4479000 -212.289 173.899 82.9503 88.0394 248.439 81.5836 146.97 122.381 -69.5072 PRESSAVG: 4479000 -32.8285 58.9213 32.1013 58.9212 45.556 34.5784 32.1013 34.5783 -29.1841 GPRESSAVG: 4479000 -31.2093 58.8305 30.4833 59.3721 44.3646 36.8895 36.018 36.7772 -29.6949 TIMING: 4479000 CPU: 13014.4, 0.0029088/step Wall: 13014.4, 0.0029088/step, 0.420968 hours remaining, 208.253906 MB of memory in use. ENERGY: 4479000 790.3572 2063.9646 1953.1748 114.8162 -206118.9855 17901.2108 0.0000 0.0000 34201.7297 -149093.7321 298.6922 -183295.4618 -148997.6612 299.4938 -44.7275 -11.1192 557323.6787 -5.4855 -5.5132 PRESSURE: 4479200 -126.554 -26.7936 35.868 -26.793 53.1401 29.2946 35.867 29.2948 -137.01 GPRESSURE: 4479200 -47.9817 -76.6503 19.6615 -23.5401 53.9129 66.0712 62.9113 3.1963 -130.388 PRESSAVG: 4479200 10.6919 7.05831 77.6666 7.05826 -2.4096 -15.6961 77.6666 -15.6961 -17.2719 GPRESSAVG: 4479200 8.16267 6.68546 80.7304 6.82714 -1.31292 -16.7583 75.2583 -17.0913 -16.4656 TIMING: 4479200 CPU: 13015, 0.00290486/step Wall: 13015, 0.00290486/step, 0.420237 hours remaining, 208.253906 MB of memory in use. ENERGY: 4479200 738.6884 2105.2267 1937.9943 116.8932 -205935.9101 17645.3529 0.0000 0.0000 34395.4503 -148996.3044 300.3840 -183391.7546 -148896.3047 299.7175 -70.1415 -41.4855 557891.8105 -2.9965 -3.2053 PRESSURE: 4479400 -93.3267 88.9109 41.8021 88.912 105.163 -58.0345 41.801 -58.033 13.7141 GPRESSURE: 4479400 -65.109 83.9862 -64.5278 122.449 140.839 -108.1 126.689 -64.4945 49.3347 PRESSAVG: 4479400 -14.7492 -38.2419 37.545 -38.242 46.7183 -8.90975 37.5448 -8.9098 -31.9044 GPRESSAVG: 4479400 -13.1206 -36.4191 37.3463 -38.9943 45.3633 -9.76772 38.1869 -8.04391 -32.4736 TIMING: 4479400 CPU: 13015.5, 0.00288444/step Wall: 13015.5, 0.00288444/step, 0.417123 hours remaining, 208.253906 MB of memory in use. ENERGY: 4479400 779.9237 2059.3498 1978.4244 109.2759 -206091.8890 17887.9759 0.0000 0.0000 34385.3472 -148891.5922 300.2958 -183276.9393 -148797.3806 300.4956 8.5169 41.6883 557072.0863 0.0216 -0.0770 PRESSURE: 4479600 -245.025 169.777 -14.859 169.778 -237.061 24.3419 -14.8596 24.3419 91.5554 GPRESSURE: 4479600 -206.161 136.493 -41.3174 257.804 -199.676 111.888 -5.52887 -96.2305 118.302 PRESSAVG: 4479600 -90.1201 38.8376 61.1879 38.8377 20.6447 -56.3574 61.1879 -56.3574 39.6979 GPRESSAVG: 4479600 -90.0925 36.2798 60.329 39.2555 21.9819 -55.257 60.9092 -57.8207 38.4826 TIMING: 4479600 CPU: 13016.1, 0.00289099/step Wall: 13016.1, 0.00289099/step, 0.417908 hours remaining, 208.253906 MB of memory in use. ENERGY: 4479600 751.1982 2127.7316 1974.3055 98.1155 -205635.7240 17584.6386 0.0000 0.0000 34395.4874 -148704.2471 300.3843 -183099.7345 -148602.5150 300.9427 -130.1769 -95.8449 559135.2213 -9.9258 -9.8760 PRESSURE: 4479800 -181.282 156.36 -38.7618 156.36 -59.1265 -11.8919 -38.7611 -11.8918 50.4513 GPRESSURE: 4479800 -141.818 153.683 29.4359 133.334 -14.6235 38.3778 -49.8571 -41.7245 56.0578 PRESSAVG: 4479800 -85.2205 4.6147 1.37084 4.61456 3.09577 34.4853 1.37088 34.4852 49.273 GPRESSAVG: 4479800 -85.1152 5.32692 0.533767 4.49694 2.00255 33.3051 2.16963 35.9491 49.9391 TIMING: 4479800 CPU: 13016.7, 0.00290181/step Wall: 13016.7, 0.00290181/step, 0.419311 hours remaining, 208.253906 MB of memory in use. ENERGY: 4479800 782.0319 2100.1063 1941.4454 109.7987 -205973.8283 17827.0675 0.0000 0.0000 34479.7547 -148733.6239 301.1203 -183213.3785 -148628.9747 300.3739 -63.3190 -33.4611 558016.8697 -10.9506 -11.0578 PRESSURE: 4480000 -46.8416 -41.5087 145.208 -41.5091 123.004 144.515 145.209 144.513 -122.579 GPRESSURE: 4480000 -1.19327 -101.313 138.117 19.3989 131.85 107.958 176.953 187.109 -69.4069 PRESSAVG: 4480000 11.0014 20.7579 70.2471 20.758 12.3267 25.7661 70.2471 25.7662 -48.2656 GPRESSAVG: 4480000 10.2522 21.1816 70.1317 22.0343 12.6362 24.3876 70.1912 24.4904 -47.9168 TIMING: 4480000 CPU: 13017.3, 0.00290311/step Wall: 13017.3, 0.00290311/step, 0.419338 hours remaining, 208.253906 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: 4480000 738.7104 2112.4692 1970.4344 109.6843 -206035.0164 17659.7261 0.0000 0.0000 34715.0967 -148728.8952 303.1756 -183443.9919 -148628.1613 300.9805 -15.4723 20.4165 556944.1592 -8.3125 -8.3428 PRESSURE: 4480200 -373.462 145.852 -16.9532 145.854 -174.405 7.0566 -16.9534 7.05665 -87.1887 GPRESSURE: 4480200 -314.329 197.099 -61.7417 110.682 -174.598 5.28203 -88.6317 -17.4908 -37.8188 PRESSAVG: 4480200 70.6987 -17.7909 30.2463 -17.7909 -57.508 -19.0051 30.2463 -19.0051 -8.8685 GPRESSAVG: 4480200 71.3773 -18.7027 30.9836 -20.0139 -58.5581 -17.5831 29.1802 -17.7182 -9.47706 TIMING: 4480200 CPU: 13017.9, 0.00290366/step Wall: 13017.9, 0.00290366/step, 0.419257 hours remaining, 208.253906 MB of memory in use. ENERGY: 4480200 766.9041 2171.5257 1955.3641 113.7378 -205635.8043 17334.4789 0.0000 0.0000 34679.3277 -148614.4660 302.8632 -183293.7937 -148515.3554 301.4330 -211.6851 -175.5818 557508.3364 1.4407 1.1140 LDB: ============= START OF LOAD BALANCING ============== 13021.3 LDB: ============== END OF LOAD BALANCING =============== 13021.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13021.3 LDB: ============= START OF LOAD BALANCING ============== 13021.6 LDB: Largest compute 4848 load 0.029490 is 25.1% of average load 0.117712 LDB: Average compute 0.001742 is 1.5% of average load 0.117712 LDB: TIME 13021.6 LOAD: AVG 0.117712 MAX 0.183106 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 13021.6 LOAD: AVG 0.117712 MAX 0.183106 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: TIME 13021.6 LOAD: AVG 0.117712 MAX 0.183106 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13021.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13021.6 PRESSURE: 4480400 -22.3632 -248.127 14.7934 -248.127 -205.931 25.2081 14.7934 25.2094 -35.6142 GPRESSURE: 4480400 42.6675 -183.382 83.1507 -187.949 -186.79 61.2797 12.7735 38.4764 -28.34 PRESSAVG: 4480400 29.4555 20.6927 23.0712 20.6927 -28.1895 36.7127 23.0712 36.7127 -51.0411 GPRESSAVG: 4480400 26.8807 21.0515 22.2573 23.4314 -25.7168 37.6692 22.9297 36.8254 -51.0126 TIMING: 4480400 CPU: 13018.5, 0.00295603/step Wall: 13018.5, 0.00295603/step, 0.426654 hours remaining, 206.074219 MB of memory in use. ENERGY: 4480400 755.5083 2099.7371 1961.1900 101.7752 -205813.0970 17713.4704 0.0000 0.0000 34256.3285 -148925.0874 299.1690 -183181.4159 -148834.3707 300.6428 -87.9694 -57.4875 557334.6948 -16.5917 -16.6162 PRESSURE: 4480600 -303.028 9.16094 -157.66 9.16087 -61.984 43.709 -157.661 43.7086 89.788 GPRESSURE: 4480600 -245.596 -3.29235 -59.6645 -60.3755 -47.2594 -22.2811 -87.2412 48.1407 108.429 PRESSAVG: 4480600 50.5365 -37.1644 -14.7441 -37.1644 -26.4651 -50.7077 -14.7441 -50.7078 -24.0296 GPRESSAVG: 4480600 51.8048 -37.5205 -13.4131 -37.6356 -28.8163 -53.3442 -14.5632 -51.5035 -22.8907 TIMING: 4480600 CPU: 13019, 0.00290882/step Wall: 13019, 0.00290881/step, 0.419677 hours remaining, 206.593750 MB of memory in use. ENERGY: 4480600 766.0567 2071.0542 1962.8671 121.7751 -205943.5543 17725.6092 0.0000 0.0000 34512.4285 -148783.7635 301.4056 -183296.1920 -148679.6245 300.0705 -91.7413 -61.4755 559315.6358 0.0139 0.0326 PRESSURE: 4480800 82.5125 -72.9612 -26.4607 -72.9628 -83.7881 -49.4666 -26.4613 -49.4678 -279.026 GPRESSURE: 4480800 134.043 -63.2184 -13.9513 -106.091 -46.1833 -34.224 0.759947 -79.9095 -259.636 PRESSAVG: 4480800 6.75368 -5.67867 -64.8929 -5.67868 -30.5907 16.4378 -64.8931 16.4377 7.25211 GPRESSAVG: 4480800 6.94076 -4.62591 -64.8835 -4.6143 -29.8305 19.6013 -64.582 16.0031 6.54588 TIMING: 4480800 CPU: 13019.6, 0.00291385/step Wall: 13019.6, 0.00291385/step, 0.420242 hours remaining, 206.593750 MB of memory in use. ENERGY: 4480800 743.3231 2181.4652 1938.4228 117.9328 -206093.3393 17711.7464 0.0000 0.0000 34663.7973 -148736.6519 302.7276 -183400.4492 -148647.0058 299.8604 -93.4339 -57.2587 558548.2710 -5.5283 -5.4480 PRESSURE: 4481000 -21.7457 -127.423 120.644 -127.423 90.6454 -12.961 120.644 -12.962 214.853 GPRESSURE: 4481000 80.0883 -95.5145 41.7672 -87.7137 67.4377 -46.6068 150.008 27.0954 243.15 PRESSAVG: 4481000 -48.3964 -8.91981 38.8325 -8.91974 115.398 3.38974 38.8325 3.38968 -36.3215 GPRESSAVG: 4481000 -47.4917 -9.56999 38.4617 -10.9505 114.156 -0.452295 37.2782 5.03669 -36.5283 TIMING: 4481000 CPU: 13020.2, 0.0028868/step Wall: 13020.2, 0.0028868/step, 0.41618 hours remaining, 206.593750 MB of memory in use. ENERGY: 4481000 738.7223 2127.7629 1956.5898 114.1918 -205971.4735 18006.0429 0.0000 0.0000 34459.4588 -148568.7049 300.9430 -183028.1637 -148478.1365 300.4458 94.5843 130.2253 558850.7153 10.2266 10.0454 PRESSURE: 4481200 -127.749 54.8002 -50.3781 54.8002 -21.4961 69.3786 -50.3769 69.3787 -11.1459 GPRESSURE: 4481200 -101.03 103.002 -1.17692 33.3701 -28.7542 -13.3685 -108.008 38.8094 55.7156 PRESSAVG: 4481200 -73.5987 -10.198 23.7412 -10.198 33.8025 46.373 23.7412 46.373 31.0638 GPRESSAVG: 4481200 -73.3423 -9.01472 23.6513 -9.47543 34.6796 49.3051 26.062 44.9404 30.3758 TIMING: 4481200 CPU: 13020.8, 0.00288001/step Wall: 13020.8, 0.00288001/step, 0.415042 hours remaining, 206.593750 MB of memory in use. ENERGY: 4481200 760.6546 2071.0239 1966.7426 107.3289 -205852.3483 17791.9128 0.0000 0.0000 34507.5020 -148647.1834 301.3626 -183154.6854 -148552.5394 301.0115 -53.4638 -24.6895 560607.5693 -2.9108 -2.7623 PRESSURE: 4481400 45.8356 -11.2215 82.7357 -11.2224 117.159 -160.764 82.7359 -160.763 52.1635 GPRESSURE: 4481400 112.819 -3.73125 150.105 -133.834 158.383 -215.198 114.554 -189.91 40.0648 PRESSAVG: 4481400 -7.94772 3.97695 40.2263 3.97689 50.1833 -21.9037 40.2263 -21.9036 -9.29712 GPRESSAVG: 4481400 -8.88987 2.57116 40.541 4.04673 50.8404 -21.8025 39.2466 -21.7326 -8.87069 TIMING: 4481400 CPU: 13021.4, 0.00290935/step Wall: 13021.4, 0.00290935/step, 0.419108 hours remaining, 206.593750 MB of memory in use. ENERGY: 4481400 754.6917 2033.9092 1940.0862 120.5193 -205622.3283 17931.4271 0.0000 0.0000 34417.8429 -148423.8519 300.5796 -182841.6947 -148327.6105 300.5402 71.7194 103.7557 559047.0187 10.9795 11.0266 PRESSURE: 4481600 -186.459 151.505 -80.1721 151.504 -187.645 2.33427 -80.1709 2.33468 -216.64 GPRESSURE: 4481600 -82.2898 192.97 6.58638 89.4836 -161.971 -36.0341 5.38151 27.5625 -238.981 PRESSAVG: 4481600 1.71358 -2.10165 6.98386 -2.10154 1.30989 1.16593 6.98386 1.1659 -18.4383 GPRESSAVG: 4481600 1.17609 -2.29759 6.45843 -3.09727 1.5702 -0.0845904 7.23461 2.06318 -18.1102 TIMING: 4481600 CPU: 13021.9, 0.00290179/step Wall: 13021.9, 0.00290179/step, 0.417858 hours remaining, 206.593750 MB of memory in use. ENERGY: 4481600 727.1144 2029.7993 1955.2367 116.3848 -205190.6683 17531.7135 0.0000 0.0000 34357.6636 -148472.7560 300.0540 -182830.4196 -148372.3777 300.9678 -196.9146 -161.0805 561078.9961 -5.1383 -5.1213 PRESSURE: 4481800 85.9695 -103.682 77.5766 -103.682 -126.031 -148.864 77.5776 -148.864 -80.27 GPRESSURE: 4481800 83.7887 -78.0066 71.3422 -88.6112 -114.513 -137.303 157.631 -188.026 6.02919 PRESSAVG: 4481800 30.8856 8.37551 -3.62978 8.37557 12.5022 -27.3333 -3.6298 -27.3333 -10.2001 GPRESSAVG: 4481800 31.1745 8.21869 -2.10059 9.65655 11.9604 -25.0393 -2.62602 -29.6174 -10.4754 TIMING: 4481800 CPU: 13022.5, 0.00290324/step Wall: 13022.5, 0.00290324/step, 0.417905 hours remaining, 206.593750 MB of memory in use. ENERGY: 4481800 730.2857 2051.1484 1953.5471 117.9969 -205733.7147 17828.6141 0.0000 0.0000 34389.1410 -148662.9816 300.3289 -183052.1226 -148571.1613 301.1680 -40.1105 -8.2318 558726.9321 11.0626 10.8865 PRESSURE: 4482000 -228.634 250.299 98.4923 250.298 10.4612 96.9149 98.4912 96.9155 37.6842 GPRESSURE: 4482000 -109.322 231.992 134.823 258.303 1.05874 105.528 11.1149 146.525 15.3567 PRESSAVG: 4482000 -29.9113 51.8438 -0.401698 51.8439 41.839 -51.9949 -0.401744 -51.995 -0.4072 GPRESSAVG: 4482000 -30.2065 54.5491 0.242341 50.5472 42.7585 -54.3217 -1.22813 -49.3434 -1.47088 TIMING: 4482000 CPU: 13023.1, 0.00290278/step Wall: 13023.1, 0.00290278/step, 0.417677 hours remaining, 206.593750 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: 4482000 712.3092 2037.6520 1944.1685 111.3636 -205558.3581 17692.5097 0.0000 0.0000 34398.3524 -148662.0028 300.4094 -183060.3552 -148563.3859 300.6105 -60.1630 -30.9687 558438.3423 3.8402 3.6937 PRESSURE: 4482200 31.5973 68.8352 112.481 68.836 -200.424 -47.6702 112.481 -47.6689 -229.343 GPRESSURE: 4482200 89.6007 67.4209 147.024 98.912 -194.1 -2.61037 54.6741 -26.7038 -185.246 PRESSAVG: 4482200 18.432 23.7124 29.3374 23.7123 -64.1733 -6.87153 29.3374 -6.87158 49.6058 GPRESSAVG: 4482200 18.2631 21.202 30.1262 24.5008 -64.5549 -4.49854 29.6412 -8.83829 50.0841 TIMING: 4482200 CPU: 13023.7, 0.00290051/step Wall: 13023.7, 0.00290051/step, 0.41719 hours remaining, 206.593750 MB of memory in use. ENERGY: 4482200 741.3490 2108.7448 1951.5237 111.3966 -205728.0670 17522.5271 0.0000 0.0000 34467.9138 -148824.6119 301.0169 -183292.5257 -148724.8318 300.4955 -132.7231 -96.5819 559061.2730 1.2882 1.2641 PRESSURE: 4482400 155.626 69.3806 -136.979 69.3796 -240.346 -89.8523 -136.981 -89.8536 -250.326 GPRESSURE: 4482400 178.59 111.909 -201.55 22.1448 -190.384 -19.4172 -159.771 -82.5756 -220.228 PRESSAVG: 4482400 88.4346 -14.0811 -7.24052 -14.0812 16.8462 -15.4097 -7.2405 -15.4097 -53.6911 GPRESSAVG: 4482400 88.5317 -12.0346 -8.77641 -16.452 16.761 -17.3205 -7.68235 -13.2239 -53.4814 TIMING: 4482400 CPU: 13024.3, 0.00289717/step Wall: 13024.3, 0.00289717/step, 0.416548 hours remaining, 206.593750 MB of memory in use. ENERGY: 4482400 742.3705 2120.6842 1942.9410 108.8861 -205673.3851 17666.7801 0.0000 0.0000 34278.6881 -148813.0352 299.3643 -183091.7232 -148716.4983 300.1966 -111.6821 -77.3410 559125.3421 17.1966 17.2704 PRESSURE: 4482600 -171.299 -112.136 86.9337 -112.136 -131.77 65.8594 86.9346 65.858 67.8586 GPRESSURE: 4482600 -90.4895 -64.2009 92.8299 -33.8732 -111.364 80.945 107.054 129.762 59.7115 PRESSAVG: 4482600 69.0425 37.3935 41.4988 37.3935 6.60629 -13.3821 41.4988 -13.382 -59.3064 GPRESSAVG: 4482600 68.038 36.4612 42.1446 39.3685 7.38059 -11.9765 41.695 -15.844 -58.2897 TIMING: 4482600 CPU: 13024.8, 0.0029171/step Wall: 13024.8, 0.0029171/step, 0.419252 hours remaining, 206.593750 MB of memory in use. ENERGY: 4482600 729.6490 2064.9355 1931.6441 106.1585 -205743.0692 17597.6142 0.0000 0.0000 34416.9053 -148896.1626 300.5714 -183313.0679 -148801.4041 300.3274 -78.4036 -47.3806 557919.7046 5.4474 5.7096 PRESSURE: 4482800 228.602 -89.3711 23.4124 -89.3721 -25.2796 -2.3784 23.4125 -2.37761 249.195 GPRESSURE: 4482800 231.654 -200.067 15.2996 -41.5486 41.9579 76.9659 92.371 -57.6741 270.062 PRESSAVG: 4482800 21.0866 -48.1237 -36.4095 -48.1236 65.8032 5.71389 -36.4095 5.71388 -46.4136 GPRESSAVG: 4482800 22.1803 -49.6763 -37.297 -48.107 66.0333 5.03053 -35.6237 6.80331 -47.8649 TIMING: 4482800 CPU: 13025.4, 0.00288465/step Wall: 13025.4, 0.00288465/step, 0.414427 hours remaining, 206.593750 MB of memory in use. ENERGY: 4482800 738.4722 2120.9064 1973.7367 113.6812 -206317.3727 18084.8843 0.0000 0.0000 34352.7313 -148932.9607 300.0109 -183285.6920 -148842.5249 300.1696 150.8391 181.2246 557805.6279 13.4921 13.4495 PRESSURE: 4483000 28.5569 46.5998 -42.9577 46.5997 -239.945 -90.0385 -42.9574 -90.0404 41.7944 GPRESSURE: 4483000 42.9933 -23.3836 -48.0871 42.2273 -220.152 -95.1548 -43.7605 -134.497 115.47 PRESSAVG: 4483000 4.92929 -35.4056 51.1531 -35.4055 -60.7022 -36.7279 51.153 -36.7279 35.4531 GPRESSAVG: 4483000 3.70036 -32.8475 52.9281 -35.8134 -62.3156 -37.7794 51.034 -37.1784 38.3897 TIMING: 4483000 CPU: 13026, 0.00288349/step Wall: 13026, 0.00288349/step, 0.414101 hours remaining, 206.593750 MB of memory in use. ENERGY: 4483000 691.4506 2071.3685 1958.5240 107.2773 -206196.5737 17711.2582 0.0000 0.0000 34533.4928 -149123.2023 301.5896 -183656.6951 -149022.0885 299.8049 -56.5313 -20.5628 557419.6905 -6.7732 -6.7418 PRESSURE: 4483200 30.4583 107.261 128.101 107.262 -45.7681 -66.4426 128.102 -66.4422 -49.701 GPRESSURE: 4483200 96.6679 42.0146 56.8618 101.052 -63.6232 -160.074 125.073 -73.0709 4.65843 PRESSAVG: 4483200 55.9223 -50.9098 74.9827 -50.9099 -8.3641 38.4546 74.9826 38.4547 -15.711 GPRESSAVG: 4483200 57.0291 -51.0828 72.3185 -52.099 -7.26328 36.276 74.868 42.7153 -18.079 TIMING: 4483200 CPU: 13026.6, 0.00290812/step Wall: 13026.6, 0.00290812/step, 0.417476 hours remaining, 206.609375 MB of memory in use. ENERGY: 4483200 778.9038 2070.6946 1962.7492 112.4013 -206095.1499 17703.4527 0.0000 0.0000 34179.2687 -149287.6798 298.4961 -183466.9485 -149187.9987 299.2908 -21.6702 12.5677 557006.1608 10.6157 10.5623 PRESSURE: 4483400 -155.669 142.632 2.4681 142.632 49.1961 104.746 2.46851 104.746 -47.4755 GPRESSURE: 4483400 -125.448 125.352 -71.0222 154.38 55.554 157.837 -21.7619 120.702 17.1974 PRESSAVG: 4483400 20.8624 52.111 50.4868 52.1109 26.517 -14.9382 50.4868 -14.9382 -28.4435 GPRESSAVG: 4483400 20.946 53.6848 51.4161 53.4677 27.0118 -12.1931 51.5591 -17.19 -28.6518 TIMING: 4483400 CPU: 13027.2, 0.0029358/step Wall: 13027.2, 0.0029358/step, 0.421287 hours remaining, 206.609375 MB of memory in use. ENERGY: 4483400 765.3386 2072.3630 1935.7762 123.6343 -205957.1641 17667.9539 0.0000 0.0000 34181.0025 -149211.0955 298.5112 -183392.0980 -149114.9631 299.1782 -51.3160 -17.5655 556093.5450 6.3119 6.4353 PRESSURE: 4483600 -27.8918 151.938 74.8156 151.938 -226.27 90.774 74.8153 90.7742 63.2192 GPRESSURE: 4483600 5.46884 127.538 87.9282 164.919 -189.04 22.9638 50.2706 142.446 81.3057 PRESSAVG: 4483600 45.7519 21.9698 -0.767123 21.9697 -19.8752 39.4746 -0.767161 39.4746 10.601 GPRESSAVG: 4483600 46.777 19.4595 -0.583027 21.9707 -20.9315 39.5564 -0.575444 38.0861 10.8457 TIMING: 4483600 CPU: 13027.7, 0.00290774/step Wall: 13027.7, 0.00290774/step, 0.417099 hours remaining, 206.609375 MB of memory in use. ENERGY: 4483600 759.7638 2063.0500 1943.5515 111.5776 -206237.2936 17764.9280 0.0000 0.0000 34337.2123 -149257.2104 299.8754 -183594.4227 -149172.0284 299.2660 -63.6475 -34.0884 555982.5497 12.1592 12.2304 PRESSURE: 4483800 426.608 39.8992 42.4009 39.8992 71.2203 82.8667 42.401 82.867 -92.3166 GPRESSURE: 4483800 398.445 42.3467 9.45934 56.2692 145.019 30.6065 98.4321 100.292 -28.1739 PRESSAVG: 4483800 16.0843 32.3786 -35.3536 32.3788 -10.4216 -23.7526 -35.3535 -23.7526 -21.2562 GPRESSAVG: 4483800 15.9701 33.1691 -34.5899 33.2819 -9.4181 -21.3818 -36.8531 -22.7304 -21.7944 TIMING: 4483800 CPU: 13028.3, 0.00289854/step Wall: 13028.3, 0.00289854/step, 0.415618 hours remaining, 206.609375 MB of memory in use. ENERGY: 4483800 751.6721 2074.0721 1945.9908 116.0373 -206487.7573 18126.3482 0.0000 0.0000 34150.4755 -149323.1613 298.2446 -183473.6369 -149226.4542 299.2372 135.1706 171.7635 557401.3439 -5.1978 -5.0808 PRESSURE: 4484000 -62.8302 64.9581 -61.0659 64.9573 175.291 -0.352768 -61.0657 -0.351729 -164.264 GPRESSURE: 4484000 -76.3766 41.0623 -91.9706 11.7674 229.193 10.2428 -80.9644 46.8508 -91.9305 PRESSAVG: 4484000 18.3533 54.6201 -50.7502 54.6202 -2.55115 32.2102 -50.7501 32.2101 10.4616 GPRESSAVG: 4484000 17.2736 55.7921 -51.1509 52.5695 -2.28628 28.8877 -52.7888 32.2255 11.1583 TIMING: 4484000 CPU: 13028.9, 0.0028855/step Wall: 13028.9, 0.0028855/step, 0.413589 hours remaining, 206.609375 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: 4484000 709.8642 2071.7808 1990.2452 119.7585 -206222.5410 17836.8274 0.0000 0.0000 34220.8364 -149273.2284 298.8591 -183494.0648 -149165.2975 298.2946 -17.2678 20.2953 558384.5584 8.7546 8.7152 PRESSURE: 4484200 120.517 -170.029 105.228 -170.03 105.827 49.9554 105.227 49.9551 -156.645 GPRESSURE: 4484200 138.387 -118.24 131.65 -227.141 120.966 85.9532 59.6956 24.8673 -88.4168 PRESSAVG: 4484200 -28.0183 73.5928 -60.0116 73.5928 -4.33032 37.7851 -60.0116 37.7852 -23.6443 GPRESSAVG: 4484200 -27.6741 72.995 -60.6053 73.8611 -5.14134 40.1582 -58.3798 36.9646 -23.0805 TIMING: 4484200 CPU: 13029.5, 0.00287049/step Wall: 13029.5, 0.00287049/step, 0.411277 hours remaining, 206.609375 MB of memory in use. ENERGY: 4484200 688.1831 2137.8576 1949.1526 112.5610 -205929.9047 17644.9573 0.0000 0.0000 34236.1747 -149161.0184 298.9930 -183397.1932 -149067.1869 298.4275 23.2330 56.9789 558519.8672 -18.6643 -18.6320 LDB: ============= START OF LOAD BALANCING ============== 13032.9 LDB: ============== END OF LOAD BALANCING =============== 13032.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13032.9 LDB: ============= START OF LOAD BALANCING ============== 13033.2 LDB: Largest compute 4848 load 0.031237 is 26.5% of average load 0.117781 LDB: Average compute 0.001736 is 1.5% of average load 0.117781 LDB: TIME 13033.2 LOAD: AVG 0.117781 MAX 0.186143 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 13033.2 LOAD: AVG 0.117781 MAX 0.186143 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: TIME 13033.2 LOAD: AVG 0.117781 MAX 0.186143 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.816 MB LDB: ============== END OF LOAD BALANCING =============== 13033.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13033.2 PRESSURE: 4484400 3.74881 164.684 -10.0329 164.682 83.9331 -11.3041 -10.0328 -11.3049 131.473 GPRESSURE: 4484400 -26.9161 168.122 -78.9472 128.515 130.015 -34.0173 121.896 -65.9529 208.002 PRESSAVG: 4484400 50.9525 90.2736 -2.90141 90.2736 1.90713 21.6199 -2.9014 21.62 -25.3161 GPRESSAVG: 4484400 50.2254 91.0547 -3.60904 90.1012 0.709344 20.3799 -2.438 20.6432 -24.0652 TIMING: 4484400 CPU: 13030.1, 0.0029396/step Wall: 13030.1, 0.0029396/step, 0.421017 hours remaining, 207.507812 MB of memory in use. ENERGY: 4484400 701.7175 2136.6142 1964.8990 103.4733 -206292.9352 17852.0389 0.0000 0.0000 34354.1567 -149180.0356 300.0234 -183534.1923 -149081.7613 299.6830 73.0516 103.7004 556128.2349 9.1812 8.9565 PRESSURE: 4484600 -117.024 103.484 154.982 103.484 -96.2076 -139.844 154.981 -139.845 61.8061 GPRESSURE: 4484600 -96.9593 112.223 208.044 71.6151 5.71814 -91.3605 103.772 -139.345 38.87 PRESSAVG: 4484600 28.7742 20.8765 30.3964 20.8766 -7.49718 -37.2639 30.3965 -37.2639 -49.6188 GPRESSAVG: 4484600 28.5968 19.4835 29.732 21.5198 -6.31312 -38.3805 30.9647 -36.1223 -50.2642 TIMING: 4484600 CPU: 13030.6, 0.00289452/step Wall: 13030.6, 0.00289452/step, 0.414399 hours remaining, 207.507812 MB of memory in use. ENERGY: 4484600 749.5951 2036.7751 1935.6088 111.1734 -206004.9325 17594.7517 0.0000 0.0000 34318.4381 -149258.5904 299.7115 -183577.0285 -149163.4737 299.3816 -50.4752 -17.4571 556856.8445 -9.4473 -9.3268 PRESSURE: 4484800 -65.0768 -28.8193 135.998 -28.8183 -5.11718 -48.4613 135.999 -48.4632 7.96451 GPRESSURE: 4484800 -43.7181 -31.4805 199.999 -41.0323 10.8948 -20.4797 103.14 -60.4833 71.6275 PRESSAVG: 4484800 12.7572 13.8901 -31.2341 13.8901 42.6416 -7.11597 -31.234 -7.11602 -33.6268 GPRESSAVG: 4484800 13.459 14.1209 -30.4347 13.481 40.661 -6.46743 -32.0236 -7.02497 -33.0837 TIMING: 4484800 CPU: 13031.2, 0.00287451/step Wall: 13031.2, 0.00287451/step, 0.411375 hours remaining, 207.507812 MB of memory in use. ENERGY: 4484800 764.9995 2080.7438 1969.2466 117.2425 -206367.9379 17779.8838 0.0000 0.0000 34360.6694 -149295.1522 300.0803 -183655.8216 -149202.0660 299.2683 -20.7431 12.9347 556466.6279 7.2574 7.0121 PRESSURE: 4485000 188.219 -47.6159 85.4825 -47.6168 -231.401 69.7412 85.4831 69.7407 58.0645 GPRESSURE: 4485000 211.963 0.233177 -35.1855 -113.755 -218.189 87.4392 100.978 72.5354 121.26 PRESSAVG: 4485000 15.3175 13.4134 -10.3281 13.4135 23.9602 0.746366 -10.3281 0.746366 2.01615 GPRESSAVG: 4485000 14.8672 13.0492 -10.0846 15.8639 24.7893 1.68136 -9.35463 1.61568 1.52233 TIMING: 4485000 CPU: 13031.8, 0.00288047/step Wall: 13031.8, 0.00288047/step, 0.412068 hours remaining, 207.507812 MB of memory in use. ENERGY: 4485000 713.3457 2154.9243 1957.8770 117.7733 -206252.9055 17895.9631 0.0000 0.0000 34171.7314 -149241.2908 298.4302 -183413.0221 -149136.7029 298.3661 4.9611 38.3445 557004.5453 13.7646 13.7263 PRESSURE: 4485200 276.485 -56.9058 -144.806 -56.9051 -2.72664 -80.9425 -144.806 -80.9424 -218.113 GPRESSURE: 4485200 244.842 -172.803 -67.9017 -14.1445 62.302 -116.054 -187.656 27.7286 -157.537 PRESSAVG: 4485200 60.0079 -59.5592 -63.4386 -59.5592 -11.5996 -45.3188 -63.4387 -45.3188 -40.6592 GPRESSAVG: 4485200 60.4512 -59.5619 -66.3515 -59.9826 -10.2833 -45.6217 -64.5678 -44.7688 -41.8387 TIMING: 4485200 CPU: 13032.4, 0.00291108/step Wall: 13032.4, 0.00291108/step, 0.416284 hours remaining, 207.710938 MB of memory in use. ENERGY: 4485200 790.7556 2128.4639 1939.9557 112.5587 -206174.8049 17885.6105 0.0000 0.0000 34245.1201 -149072.3405 299.0712 -183317.4606 -148979.9492 299.0561 18.5485 49.8688 557751.6511 2.5830 2.7764 PRESSURE: 4485400 -345.354 90.3821 -8.09911 90.3818 52.1489 49.1337 -8.09831 49.1318 -6.42757 GPRESSURE: 4485400 -319.766 119.364 31.25 68.3685 141.27 10.9608 30.9332 67.1771 -18.0017 PRESSAVG: 4485400 -0.32473 15.1939 -30.8128 15.1937 52.1045 -21.0694 -30.8128 -21.0694 -29.8737 GPRESSAVG: 4485400 -0.309152 16.2253 -29.144 13.8755 51.991 -19.6164 -29.777 -24.069 -29.6838 TIMING: 4485400 CPU: 13033, 0.00291531/step Wall: 13033, 0.00291531/step, 0.416728 hours remaining, 207.710938 MB of memory in use. ENERGY: 4485400 774.4013 2007.3881 1944.0448 114.0186 -205861.3915 17670.1232 0.0000 0.0000 34353.8757 -148997.5399 300.0209 -183351.4156 -148900.4881 299.1586 -99.8774 -65.4992 558201.9322 7.3020 7.3327 PRESSURE: 4485600 236.684 -84.2109 49.3537 -84.2112 -85.6107 -79.058 49.3536 -79.058 99.154 GPRESSURE: 4485600 263.536 -114.621 54.1073 -101.667 -59.7736 -11.8648 7.66204 -108.582 135.562 PRESSAVG: 4485600 14.5259 42.371 5.07452 42.3711 27.5557 -9.44851 5.07455 -9.44846 -19.4527 GPRESSAVG: 4485600 16.1947 42.1809 3.57307 43.3953 26.426 -11.2032 2.64725 -7.54892 -20.0936 TIMING: 4485600 CPU: 13033.5, 0.00288984/step Wall: 13033.5, 0.00288984/step, 0.412927 hours remaining, 207.710938 MB of memory in use. ENERGY: 4485600 773.6458 2068.3626 1953.5120 112.8611 -205830.2597 17820.0475 0.0000 0.0000 34162.7475 -148939.0831 298.3518 -183101.8306 -148846.5040 299.7272 83.4092 113.1082 556669.7840 7.5429 7.5090 PRESSURE: 4485800 162.092 -115.859 81.7607 -115.86 134.898 -114.863 81.7621 -114.861 15.778 GPRESSURE: 4485800 189.021 -208.528 96.2102 -65.6955 156.316 -146.589 21.1697 -84.5697 63.9058 PRESSAVG: 4485800 -10.1605 18.249 -29.1329 18.2491 -9.00393 34.5278 -29.1329 34.5277 0.00207885 GPRESSAVG: 4485800 -12.1996 17.8928 -29.0819 16.6885 -7.89115 35.479 -28.0401 33.7242 0.922541 TIMING: 4485800 CPU: 13034.1, 0.00290582/step Wall: 13034.1, 0.00290582/step, 0.415048 hours remaining, 207.710938 MB of memory in use. ENERGY: 4485800 728.5911 2118.4048 1961.7478 111.4598 -206172.8502 18023.9590 0.0000 0.0000 34102.9319 -149125.7558 297.8294 -183228.6876 -149027.2032 299.5386 104.2558 136.4142 557785.1275 -6.3874 -6.3894 PRESSURE: 4486000 36.552 34.605 -33.9349 34.6045 -20.0954 199.806 -33.9349 199.806 -137.888 GPRESSURE: 4486000 110.004 40.9505 32.5305 47.1112 -24.3482 174.872 15.8426 173.164 -115.009 PRESSAVG: 4486000 41.5987 22.9216 5.81089 22.9215 -24.518 -20.9391 5.81089 -20.9391 7.15817 GPRESSAVG: 4486000 43.5177 23.4201 7.35715 22.7466 -25.4829 -20.1468 7.48065 -19.4894 6.20306 TIMING: 4486000 CPU: 13034.7, 0.00290473/step Wall: 13034.7, 0.00290473/step, 0.414731 hours remaining, 207.710938 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: 4486000 758.0052 2108.0912 1942.4191 114.6871 -206175.2800 17764.2322 0.0000 0.0000 34284.9961 -149202.8492 299.4194 -183487.8453 -149108.1464 299.3670 -40.4773 -9.7845 557485.8743 8.0797 8.0793 PRESSURE: 4486200 -20.0785 157.341 234.013 157.341 13.5726 -96.3929 234.011 -96.3922 47.261 GPRESSURE: 4486200 26.2776 108.209 177.592 169.629 96.4383 -141.527 210.165 -94.48 20.3941 PRESSAVG: 4486200 23.5677 17.4342 32.4007 17.4342 -4.63153 5.76062 32.4008 5.76055 -17.6454 GPRESSAVG: 4486200 22.2157 16.9089 31.6774 18.5733 -3.341 3.62489 31.5715 6.41875 -17.4098 TIMING: 4486200 CPU: 13035.3, 0.00291791/step Wall: 13035.3, 0.00291791/step, 0.416451 hours remaining, 207.710938 MB of memory in use. ENERGY: 4486200 736.1980 2076.2041 1975.9134 108.8304 -206316.1802 17929.0473 0.0000 0.0000 34411.5724 -149078.4145 300.5248 -183489.9869 -148979.8412 299.0616 13.5850 47.7033 558088.9429 0.4303 0.4883 PRESSURE: 4486400 -406.809 123.323 62.7781 123.321 -146.686 205.058 62.7764 205.055 -81.8034 GPRESSURE: 4486400 -370.788 131.068 67.432 142.993 -130.278 270.426 54.412 208.222 -35.1338 PRESSAVG: 4486400 3.8729 -45.1744 93.582 -45.1744 49.5075 13.4961 93.582 13.4963 -50.5744 GPRESSAVG: 4486400 4.34426 -42.1803 93.914 -46.391 48.3944 16.6564 92.9614 11.1004 -50.2338 TIMING: 4486400 CPU: 13035.9, 0.00291326/step Wall: 13035.9, 0.00291326/step, 0.415626 hours remaining, 207.710938 MB of memory in use. ENERGY: 4486400 745.0023 2047.1149 1961.2876 124.3622 -205994.4677 17426.4116 0.0000 0.0000 34391.3630 -149298.9263 300.3483 -183690.2892 -149204.0359 299.7727 -211.7660 -178.7334 557671.9437 0.9354 0.8350 PRESSURE: 4486600 -116.629 -116.668 134.212 -116.667 63.3675 -139.841 134.21 -139.843 374.487 GPRESSURE: 4486600 -60.6082 -118.204 138.78 -146.746 87.4641 -89.1509 98.6488 -153.865 391.125 PRESSAVG: 4486600 -6.59516 -39.9242 5.6775 -39.9241 55.4964 57.2312 5.67752 57.2313 -33.6613 GPRESSAVG: 4486600 -6.91845 -41.4547 8.52642 -38.6748 54.9382 55.2091 4.7557 59.5949 -32.1615 TIMING: 4486600 CPU: 13036.5, 0.00292445/step Wall: 13036.5, 0.00292445/step, 0.417059 hours remaining, 207.710938 MB of memory in use. ENERGY: 4486600 768.0995 2034.3442 1960.1431 117.4681 -206632.5657 18191.1496 0.0000 0.0000 34106.7157 -149454.6455 297.8624 -183561.3612 -149357.3353 299.4821 107.0753 139.3269 555990.0056 5.0800 5.2861 PRESSURE: 4486800 -76.3684 56.8905 -87.6727 56.8906 14.4149 107.513 -87.6731 107.509 230.482 GPRESSURE: 4486800 -88.339 30.4765 -146.115 94.009 39.3456 92.043 -48.8823 154.28 296.102 PRESSAVG: 4486800 -52.4948 -61.7975 66.8461 -61.7974 5.11395 36.2657 66.8461 36.2657 79.6364 GPRESSAVG: 4486800 -52.2747 -61.0131 63.2624 -62.8517 6.56948 37.4362 67.5644 33.96 77.6935 TIMING: 4486800 CPU: 13037, 0.00293197/step Wall: 13037, 0.00293197/step, 0.417968 hours remaining, 207.710938 MB of memory in use. ENERGY: 4486800 727.9677 2084.7242 1939.9279 109.6251 -206552.8481 17917.9715 0.0000 0.0000 34185.1677 -149587.4641 298.5476 -183772.6318 -149499.2404 298.4621 56.1763 82.3696 557533.9235 10.7518 10.6628 PRESSURE: 4487000 -329.55 59.7874 92.1902 59.7878 -290.941 88.0351 92.1903 88.0363 -230.138 GPRESSURE: 4487000 -283.699 50.5623 130.711 8.80329 -248.343 91.0324 42.0181 135.904 -230.526 PRESSAVG: 4487000 49.013 32.9608 24.98 32.9608 -23.6205 3.19723 24.98 3.19716 23.1249 GPRESSAVG: 4487000 49.3481 33.343 27.1402 33.4757 -24.3177 4.01288 24.8655 3.30469 23.5217 TIMING: 4487000 CPU: 13037.6, 0.00292866/step Wall: 13037.6, 0.00292866/step, 0.417334 hours remaining, 207.710938 MB of memory in use. ENERGY: 4487000 717.5174 2070.0273 1986.3721 117.9477 -205809.8631 17423.9700 0.0000 0.0000 33934.5919 -149559.4368 296.3592 -183494.0287 -149460.4441 298.0873 -283.5429 -254.1895 559293.5620 16.1725 16.1840 PRESSURE: 4487200 -94.633 -14.8452 18.7038 -14.8455 51.974 23.1741 18.705 23.1747 -106.492 GPRESSURE: 4487200 -91.0214 -28.8202 -27.0012 -32.4848 134.882 89.4448 86.4626 19.9164 -94.1605 PRESSAVG: 4487200 -20.8234 8.4416 7.56991 8.44166 1.03444 31.6947 7.56999 31.6946 -2.54522 GPRESSAVG: 4487200 -18.9272 6.26526 9.54946 8.10451 -0.988592 28.9531 7.29861 34.0245 -2.43228 TIMING: 4487200 CPU: 13038.2, 0.00292136/step Wall: 13038.2, 0.00292136/step, 0.416131 hours remaining, 207.710938 MB of memory in use. ENERGY: 4487200 731.3395 2088.5871 1945.1818 119.3724 -206164.8071 17854.2871 0.0000 0.0000 34111.6355 -149314.4037 297.9054 -183426.0392 -149218.9173 298.3914 -49.7171 -16.7665 559126.7943 -7.4447 -7.4493 PRESSURE: 4487400 -104.405 -0.714101 -2.78614 -0.71368 98.283 72.0545 -2.78609 72.0543 -188.215 GPRESSURE: 4487400 -67.6623 -11.3549 5.96536 3.82768 149.723 132.14 -39.5964 -8.99993 -180.841 PRESSAVG: 4487400 -81.403 -24.8052 -28.0418 -24.8052 35.8718 29.7107 -28.0418 29.7106 61.6782 GPRESSAVG: 4487400 -83.1299 -23.9195 -30.602 -24.5341 36.9263 31.7476 -25.618 28.1191 61.602 TIMING: 4487400 CPU: 13038.8, 0.00291679/step Wall: 13038.8, 0.00291679/step, 0.415318 hours remaining, 207.710938 MB of memory in use. ENERGY: 4487400 722.7513 2089.3381 1963.9711 106.8288 -205957.5206 17673.3276 0.0000 0.0000 34142.7643 -149258.5395 298.1773 -183401.3037 -149168.4655 299.2133 -64.7791 -32.9268 557734.0576 5.3823 5.1328 PRESSURE: 4487600 -75.7106 -60.1376 -26.4289 -60.138 -208.612 -2.65688 -26.4282 -2.65728 -141.843 GPRESSURE: 4487600 -7.2262 56.5262 47.9085 -177.517 -120.531 -45.4787 -36.8492 77.0413 -198.727 PRESSAVG: 4487600 -69.2889 51.0897 35.7556 51.0897 6.05325 -29.9383 35.7556 -29.9382 23.73 GPRESSAVG: 4487600 -70.021 51.9798 36.8765 51.3242 6.69359 -31.0955 33.4342 -29.7196 23.1692 TIMING: 4487600 CPU: 13039.4, 0.00289922/step Wall: 13039.4, 0.00289922/step, 0.412655 hours remaining, 207.710938 MB of memory in use. ENERGY: 4487600 763.7094 2040.1177 1966.2795 118.5493 -205517.4328 17379.4636 0.0000 0.0000 34140.4104 -149108.9029 298.1567 -183249.3133 -149007.6038 298.7800 -142.0553 -108.8281 556958.1953 -13.1686 -13.3861 PRESSURE: 4487800 -179.887 -50.5568 -12.1386 -50.5548 -26.3713 -239.502 -12.1389 -239.502 -153.894 GPRESSURE: 4487800 -147.584 -41.9682 -45.8444 -75.3598 -19.305 -199.823 38.8646 -284.943 -109.493 PRESSAVG: 4487800 -17.5364 -34.6073 22.6714 -34.6072 46.3645 -53.8496 22.6714 -53.8496 -20.7931 GPRESSAVG: 4487800 -16.2491 -34.6258 21.6865 -34.6794 45.4338 -52.713 24.4219 -52.2456 -21.1448 TIMING: 4487800 CPU: 13040, 0.00291032/step Wall: 13040, 0.00291032/step, 0.414074 hours remaining, 207.710938 MB of memory in use. ENERGY: 4487800 769.9592 2081.0627 1941.1049 124.6856 -205988.0592 17629.2411 0.0000 0.0000 34145.3332 -149296.6724 298.1997 -183442.0056 -149201.0089 299.5867 -120.0510 -92.1271 556330.5159 2.6783 2.6800 PRESSURE: 4488000 130.317 -56.6047 109.976 -56.6032 0.195345 -78.916 109.976 -78.9147 -142.801 GPRESSURE: 4488000 143.136 -61.3816 43.4249 -71.5763 1.54323 -5.70152 125.558 -154.737 -69.5182 PRESSAVG: 4488000 -30.2261 -77.2359 35.6838 -77.236 24.4561 -80.2485 35.6839 -80.2485 10.0624 GPRESSAVG: 4488000 -31.865 -78.5517 34.3713 -75.4974 24.4037 -81.0947 35.9009 -81.4331 11.4798 TIMING: 4488000 CPU: 13040.5, 0.0029032/step Wall: 13040.5, 0.0029032/step, 0.4129 hours remaining, 207.710938 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: 4488000 773.9089 2092.7382 1957.7245 110.2926 -206289.8677 17937.1653 0.0000 0.0000 34232.2985 -149185.7398 298.9592 -183418.0383 -149091.6688 299.2961 -4.0963 25.0536 557828.8782 1.4308 1.3395 PRESSURE: 4488200 80.8315 -49.6663 12.5197 -49.6661 -112.168 -32.5105 12.5198 -32.51 76.9142 GPRESSURE: 4488200 103.065 -33.5122 44.9909 -81.6344 -66.7749 -32.2056 81.3634 12.2036 121.592 PRESSAVG: 4488200 -10.2825 -30.0285 -21.6372 -30.0285 3.61164 23.2033 -21.6372 23.2033 -1.26517 GPRESSAVG: 4488200 -8.82962 -28.3086 -20.2023 -32.0053 3.15403 25.5994 -20.7073 21.9724 -1.8725 TIMING: 4488200 CPU: 13041.1, 0.00289138/step Wall: 13041.1, 0.00289138/step, 0.411058 hours remaining, 207.710938 MB of memory in use. ENERGY: 4488200 743.2637 2079.1895 1948.3233 111.3516 -206138.9312 17724.5002 0.0000 0.0000 34110.4977 -149421.8053 297.8955 -183532.3030 -149327.5668 298.7633 15.1926 52.6274 555485.2789 -2.6453 -2.5160 LDB: ============= START OF LOAD BALANCING ============== 13044.6 LDB: ============== END OF LOAD BALANCING =============== 13044.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13044.6 LDB: ============= START OF LOAD BALANCING ============== 13044.9 LDB: Largest compute 4848 load 0.029385 is 25.0% of average load 0.117772 LDB: Average compute 0.001744 is 1.5% of average load 0.117772 LDB: TIME 13044.9 LOAD: AVG 0.117772 MAX 0.178833 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.051 MB LDB: TIME 13044.9 LOAD: AVG 0.117772 MAX 0.178833 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: TIME 13044.9 LOAD: AVG 0.117772 MAX 0.178833 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13044.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13044.9 PRESSURE: 4488400 130.141 -92.2269 75.6216 -92.2284 -300.11 -5.89689 75.6213 -5.89903 -15.8107 GPRESSURE: 4488400 148.349 -16.7946 88.5153 -1.82109 -248.451 -153.632 -39.7659 63.3433 0.488883 PRESSAVG: 4488400 -3.10208 -22.3315 -7.44259 -22.3314 9.04759 7.97274 -7.44267 7.97274 48.8626 GPRESSAVG: 4488400 -3.41464 -20.4015 -5.34862 -21.8688 9.66926 7.35322 -10.2364 8.08892 48.0786 TIMING: 4488400 CPU: 13041.7, 0.00297184/step Wall: 13041.7, 0.00297184/step, 0.422331 hours remaining, 210.757812 MB of memory in use. ENERGY: 4488400 728.9502 2018.1593 1936.3338 98.4296 -205949.1117 17663.3869 0.0000 0.0000 34053.9445 -149449.9072 297.4016 -183503.8518 -149350.7835 299.0391 -61.9266 -33.2044 557662.3468 18.2694 18.1111 PRESSURE: 4488600 -256.236 40.7804 -51.1354 40.7796 -64.2843 -147.679 -51.1354 -147.679 132.245 GPRESSURE: 4488600 -184.801 102.854 -114.784 30.6019 -63.7052 -162.453 -64.0395 -170.485 155.859 PRESSAVG: 4488600 -28.0538 -0.910004 17.8581 -0.910014 -8.08548 -49.9556 17.8581 -49.9556 50.4932 GPRESSAVG: 4488600 -26.9609 -5.08321 16.7295 -1.04233 -9.6765 -51.5292 20.0167 -47.1352 51.0285 TIMING: 4488600 CPU: 13042.3, 0.00289279/step Wall: 13042.3, 0.00289279/step, 0.410936 hours remaining, 210.902344 MB of memory in use. ENERGY: 4488600 723.1684 2020.9677 1964.1568 107.2974 -206118.1053 17725.9767 0.0000 0.0000 34084.9591 -149491.5792 297.6724 -183576.5382 -149395.4543 298.5946 -62.7584 -30.8823 557485.4283 4.7846 4.7970 PRESSURE: 4488800 -1.70073 -194.806 3.13232 -194.806 -118.097 -101.077 3.13135 -101.076 -128.102 GPRESSURE: 4488800 14.4338 -169.801 131.059 -205.554 -41.9026 -116.406 -43.0277 -67.3158 -117.452 PRESSAVG: 4488800 -28.7386 -50.3066 -14.3926 -50.3067 -12.1876 53.7372 -14.3925 53.7371 51.1556 GPRESSAVG: 4488800 -29.9728 -48.6374 -14.3789 -51.2777 -10.826 53.3997 -14.3854 52.9541 51.475 TIMING: 4488800 CPU: 13042.9, 0.0029189/step Wall: 13042.9, 0.0029189/step, 0.414483 hours remaining, 210.902344 MB of memory in use. ENERGY: 4488800 723.3726 2085.9556 1972.4044 114.2009 -206353.7979 17839.2791 0.0000 0.0000 34084.4683 -149534.1170 297.6681 -183618.5853 -149435.5026 297.8685 -82.6335 -48.3069 557818.4630 3.4098 3.5587 PRESSURE: 4489000 -12.194 -46.6167 -204.13 -46.6167 96.5957 167.238 -204.13 167.238 242.668 GPRESSURE: 4489000 12.5597 -2.1353 -197.726 -83.9627 101.279 87.5354 -185.251 206.239 311.687 PRESSAVG: 4489000 -46.0181 -33.248 14.3671 -33.2479 -33.249 -8.68497 14.3672 -8.68501 71.4312 GPRESSAVG: 4489000 -46.8572 -33.9528 12.9545 -32.3054 -32.0667 -9.09536 14.3162 -9.05349 70.8196 TIMING: 4489000 CPU: 13043.5, 0.00291748/step Wall: 13043.5, 0.00291748/step, 0.41412 hours remaining, 210.902344 MB of memory in use. ENERGY: 4489000 749.1098 2056.9305 1959.1297 101.3954 -206272.3835 18014.2062 0.0000 0.0000 34140.4773 -149251.1346 298.1573 -183391.6119 -149157.4546 298.0912 109.0231 141.8420 557863.2317 -2.6120 -2.7014 PRESSURE: 4489200 -91.8403 -14.0472 -221.2 -14.0479 22.6331 41.7892 -221.2 41.7902 176.897 GPRESSURE: 4489200 -55.7897 60.608 -190.679 -44.4775 93.8362 42.3561 -162.833 87.2216 169.05 PRESSAVG: 4489200 -27.1284 39.914 -65.5224 39.9141 -6.72117 -4.37869 -65.5225 -4.37868 49.2601 GPRESSAVG: 4489200 -28.0251 40.8356 -65.3324 39.1269 -6.5664 -3.52186 -65.2435 -2.89651 49.5161 TIMING: 4489200 CPU: 13044, 0.00292036/step Wall: 13044, 0.00292036/step, 0.414367 hours remaining, 210.902344 MB of memory in use. ENERGY: 4489200 724.9477 2083.8468 2003.9298 109.4048 -206565.0562 17987.4307 0.0000 0.0000 34367.7003 -149287.7959 300.1417 -183655.4962 -149194.2457 299.0784 35.8965 69.0323 559831.6700 5.1368 4.9749 PRESSURE: 4489400 30.8664 -85.3949 -15.4234 -85.3935 26.0365 51.6798 -15.4227 51.6813 -149.505 GPRESSURE: 4489400 70.3337 -185.836 17.0915 -71.3255 29.3977 57.3321 16.8608 47.5074 -100.932 PRESSAVG: 4489400 -19.3836 2.85831 -2.0867 2.85833 31.3696 31.3853 -2.08673 31.3855 -34.3319 GPRESSAVG: 4489400 -19.2022 0.0134819 -1.10974 3.73146 30.4762 30.9972 -2.59637 29.7158 -33.3154 TIMING: 4489400 CPU: 13044.6, 0.00287614/step Wall: 13044.6, 0.00287614/step, 0.407933 hours remaining, 210.902344 MB of memory in use. ENERGY: 4489400 784.7663 2073.1928 1962.8337 101.2026 -206324.4199 17941.4840 0.0000 0.0000 34172.2999 -149288.6406 298.4352 -183460.9405 -149198.6866 299.3039 -30.8675 -0.4004 558125.7984 -7.4487 -7.3472 PRESSURE: 4489600 -78.2121 -39.5518 -64.4154 -39.5512 -36.9868 96.0002 -64.417 95.9989 -151.023 GPRESSURE: 4489600 -81.2053 -58.0243 -50.1535 -27.8905 -5.49322 113.603 -45.3773 172.477 -81.5861 PRESSAVG: 4489600 -31.594 -29.533 -29.9601 -29.533 18.2459 16.3548 -29.9602 16.3549 3.08558 GPRESSAVG: 4489600 -30.4259 -27.0174 -29.4975 -31.4978 17.2287 17.2561 -30.7153 16.3854 3.49756 TIMING: 4489600 CPU: 13045.2, 0.00289292/step Wall: 13045.2, 0.00289292/step, 0.410151 hours remaining, 210.902344 MB of memory in use. ENERGY: 4489600 787.9278 2088.6272 1976.8891 108.1087 -206078.9503 17820.1088 0.0000 0.0000 34065.3820 -149231.9066 297.5015 -183297.2886 -149138.3329 299.1122 -88.7408 -56.0949 557533.3823 -3.4209 -3.2332 PRESSURE: 4489800 281.668 144.301 142.241 144.3 -6.22365 -48.7133 142.241 -48.7142 90.2712 GPRESSURE: 4489800 352.101 141.999 138.912 151.428 25.7495 -103.201 131.555 -8.62291 74.2573 PRESSAVG: 4489800 -3.25715 29.2865 -43.84 29.2863 -0.828684 13.2096 -43.8401 13.2095 7.69201 GPRESSAVG: 4489800 -2.64898 28.5296 -43.5115 32.4714 0.0497901 11.9263 -44.5019 13.2565 6.85189 TIMING: 4489800 CPU: 13045.8, 0.00289453/step Wall: 13045.8, 0.00289453/step, 0.41022 hours remaining, 210.902344 MB of memory in use. ENERGY: 4489800 742.0645 2026.3932 1947.8266 119.0717 -206549.3507 18047.4014 0.0000 0.0000 34432.7264 -149233.8670 300.7096 -183666.5933 -149128.6836 298.8530 121.9052 150.7026 556238.7573 1.2021 1.4176 PRESSURE: 4490000 207.855 83.8764 -81.3112 83.876 142.513 68.4217 -81.3106 68.4216 140.841 GPRESSURE: 4490000 195.243 70.9416 59.1161 168.951 223.251 -12.8143 -62.2775 107.388 181.797 PRESSAVG: 4490000 1.51996 13.9523 8.59698 13.9525 49.8177 -7.32937 8.59699 -7.32935 -81.4402 GPRESSAVG: 4490000 -0.499704 15.7639 7.37856 12.1426 50.4248 -5.49329 11.9249 -9.89182 -80.2472 TIMING: 4490000 CPU: 13046.4, 0.00289867/step Wall: 13046.4, 0.00289867/step, 0.410645 hours remaining, 210.902344 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: 4490000 709.1967 2040.5168 1939.1131 110.2785 -206449.4237 18031.2226 0.0000 0.0000 34312.7683 -149306.3277 299.6619 -183619.0960 -149208.9184 299.0108 163.7363 200.0970 557886.9595 -10.0342 -10.1074 PRESSURE: 4490200 -1.59095 14.3862 -43.7945 14.3851 -45.4356 70.2254 -43.7941 70.2258 119.734 GPRESSURE: 4490200 58.5007 41.5361 -22.5244 35.1811 -11.6731 119.597 -110.562 72.7277 119.789 PRESSAVG: 4490200 14.4813 23.6406 14.3515 23.6406 27.1514 6.80013 14.3516 6.80008 -22.1505 GPRESSAVG: 4490200 16.3351 23.7651 15.1867 23.6313 27.0166 5.55403 12.4539 8.1365 -23.7521 TIMING: 4490200 CPU: 13046.9, 0.00292372/step Wall: 13046.9, 0.00292372/step, 0.414032 hours remaining, 210.902344 MB of memory in use. ENERGY: 4490200 737.8048 2091.8108 1936.8597 122.1083 -206122.9125 17922.3891 0.0000 0.0000 34107.7901 -149204.1496 297.8718 -183311.9397 -149107.9833 298.8411 24.2359 55.5387 558316.8182 6.4941 6.5332 PRESSURE: 4490400 111.719 -57.2409 56.0048 -57.24 -47.3938 -54.2592 56.004 -54.2605 -56.0282 GPRESSURE: 4490400 123.15 -128.46 18.9335 -6.02873 28.5406 -113.35 60.9519 1.59969 -30.7054 PRESSAVG: 4490400 -36.9173 32.0033 4.95227 32.0033 -1.65436 -5.12096 4.95231 -5.12092 28.3985 GPRESSAVG: 4490400 -37.2213 32.3887 4.06832 31.304 -1.77907 -6.11705 4.9853 -2.22547 29.0659 TIMING: 4490400 CPU: 13047.5, 0.00292445/step Wall: 13047.5, 0.00292445/step, 0.413972 hours remaining, 210.902344 MB of memory in use. ENERGY: 4490400 721.5772 2067.0522 1920.6439 120.7755 -206073.3559 17933.4879 0.0000 0.0000 33998.0232 -149311.7961 296.9132 -183309.8194 -149216.7136 298.2574 2.7655 40.3284 558867.2735 -3.3910 -3.3115 PRESSURE: 4490600 -84.0798 -38.7616 -9.78719 -38.7607 -222 9.92615 -9.7864 9.92584 54.3832 GPRESSURE: 4490600 -24.0669 12.6246 -38.0891 -28.1348 -244.563 4.45626 -31.8573 135.782 109.578 PRESSAVG: 4490600 -30.0733 -8.94393 -1.05288 -8.94394 -27.0141 19.5382 -1.05299 19.5382 31.4254 GPRESSAVG: 4490600 -30.9467 -9.72401 -1.28689 -6.65496 -25.8286 19.6011 -1.68695 17.3277 31.5797 TIMING: 4490600 CPU: 13048.1, 0.00290596/step Wall: 13048.1, 0.00290596/step, 0.411193 hours remaining, 211.054688 MB of memory in use. ENERGY: 4490600 748.9944 2111.6740 1945.8762 108.4027 -206380.3573 17771.3985 0.0000 0.0000 34306.5648 -149387.4468 299.6078 -183694.0115 -149298.9430 298.0430 -83.8987 -53.0175 558067.2359 -8.5540 -8.3985 PRESSURE: 4490800 -112.781 -22.9384 -180.929 -22.938 -6.61987 -26.8209 -180.93 -26.8207 -240.999 GPRESSURE: 4490800 -140.554 101.718 -228.9 -119.125 69.5035 -73.2262 -183.756 -26.085 -185.364 PRESSAVG: 4490800 84.5749 14.886 -122.384 14.8861 -12.158 -43.4701 -122.384 -43.4701 -54.3094 GPRESSAVG: 4490800 85.1747 14.9981 -122.335 14.0647 -13.5481 -44.9655 -120.808 -42.3374 -53.322 TIMING: 4490800 CPU: 13048.7, 0.00289001/step Wall: 13048.7, 0.00289001/step, 0.408776 hours remaining, 211.054688 MB of memory in use. ENERGY: 4490800 778.0714 2109.0234 1931.2413 120.5938 -206143.1266 17762.2517 0.0000 0.0000 34047.4075 -149394.5376 297.3445 -183441.9450 -149295.4264 297.6239 -120.1333 -85.4715 558491.5246 6.0358 6.1015 PRESSURE: 4491000 60.2779 -14.6062 84.5643 -14.6052 -314.104 111.118 84.5645 111.117 -154.646 GPRESSURE: 4491000 120.466 -0.429882 37.353 -13.8869 -261.604 185.188 149.128 132.223 -177.244 PRESSAVG: 4491000 3.66168 67.7923 -20.5131 67.7922 -19.0112 -8.64029 -20.5131 -8.6403 -18.8603 GPRESSAVG: 4491000 4.01219 66.6102 -20.7359 68.2135 -17.2104 -5.0545 -21.1063 -9.34921 -20.4867 TIMING: 4491000 CPU: 13049.3, 0.00292096/step Wall: 13049.3, 0.00292096/step, 0.412991 hours remaining, 211.054688 MB of memory in use. ENERGY: 4491000 738.4176 2038.2536 1943.9400 113.9066 -206187.4624 17777.6851 0.0000 0.0000 34215.1408 -149360.1186 298.8093 -183575.2594 -149264.1689 298.7891 -136.1574 -106.1274 558216.1568 -11.4033 -11.2283 PRESSURE: 4491200 193.527 30.324 -41.8748 30.3242 193.086 71.6724 -41.8724 71.6738 164.33 GPRESSURE: 4491200 177.229 76.0385 3.54696 103.996 208.305 25.3258 -58.3821 90.1553 266.952 PRESSAVG: 4491200 43.0047 20.1985 -7.17231 20.1985 -32.5318 76.1934 -7.17223 76.1934 -2.65302 GPRESSAVG: 4491200 43.1749 22.0239 -8.1863 18.733 -33.6784 75.1002 -5.25497 77.0082 -1.35857 TIMING: 4491200 CPU: 13049.8, 0.00290464/step Wall: 13049.8, 0.00290464/step, 0.410523 hours remaining, 211.054688 MB of memory in use. ENERGY: 4491200 740.6881 2073.0620 1945.1702 106.6718 -206438.9043 18090.5885 0.0000 0.0000 34101.1748 -149381.5489 297.8140 -183482.7237 -149291.0107 299.1067 183.6477 217.4951 557720.1426 2.6066 2.7126 PRESSURE: 4491400 64.6949 -167.496 63.6093 -167.495 -36.5589 221.712 63.61 221.712 -57.4281 GPRESSURE: 4491400 103.627 -195.519 77.5203 -177.758 -61.7055 261.642 -11.998 199.737 18.281 PRESSAVG: 4491400 79.5715 -10.4445 0.021659 -10.4445 -71.7177 15.6696 0.0216931 15.6696 -44.1546 GPRESSAVG: 4491400 78.2201 -11.2405 1.6654 -8.79477 -70.8545 16.6654 -4.03785 14.9772 -43.6368 TIMING: 4491400 CPU: 13050.4, 0.00291331/step Wall: 13050.4, 0.00291331/step, 0.411586 hours remaining, 211.054688 MB of memory in use. ENERGY: 4491400 744.4495 2071.2153 1966.3560 110.9644 -206065.4363 17835.7427 0.0000 0.0000 33972.0937 -149364.6148 296.6867 -183336.7084 -149269.3986 298.2981 -9.7641 20.0676 559457.9400 -12.1003 -12.0904 PRESSURE: 4491600 1.97092 -8.94323 64.8789 -8.94362 200.179 157.634 64.88 157.634 -58.1333 GPRESSURE: 4491600 41.3637 -12.4647 12.6227 -14.5501 264.024 197.269 85.2841 130.237 -53.5647 PRESSAVG: 4491600 80.3623 -4.11369 7.67492 -4.11365 -25.3442 47.6927 7.67493 47.6928 -84.5609 GPRESSAVG: 4491600 81.123 -3.91091 6.46907 -5.62964 -25.0855 46.4014 9.56391 47.9047 -85.8087 TIMING: 4491600 CPU: 13051, 0.00290822/step Wall: 13051, 0.00290822/step, 0.410705 hours remaining, 211.054688 MB of memory in use. ENERGY: 4491600 785.3999 2090.8393 1933.4012 121.8829 -206613.3116 18080.9649 0.0000 0.0000 34236.1685 -149364.6548 298.9930 -183600.8233 -149265.2120 297.9775 48.0055 83.9410 557407.8277 -9.8476 -9.9238 PRESSURE: 4491800 59.7881 -85.0784 80.5172 -85.0794 -74.163 -13.772 80.5183 -13.7713 -57.2296 GPRESSURE: 4491800 121.794 -87.7246 96.8236 -142.031 -85.4629 4.51887 156.823 3.6609 -16.2451 PRESSAVG: 4491800 -28.7206 -53.565 20.4041 -53.5651 68.6943 56.2995 20.4041 56.2995 13.9731 GPRESSAVG: 4491800 -28.9696 -54.3465 21.2365 -52.6978 68.6743 57.629 20.6278 55.1796 14.5769 TIMING: 4491800 CPU: 13051.6, 0.00290937/step Wall: 13051.6, 0.00290937/step, 0.410707 hours remaining, 211.054688 MB of memory in use. ENERGY: 4491800 742.4535 2080.1934 1946.5684 105.2938 -206337.0806 17833.1930 0.0000 0.0000 34070.5901 -149558.7884 297.5469 -183629.3785 -149461.9313 298.4654 -23.8682 6.6952 557623.3838 17.9823 18.0939 PRESSURE: 4492000 124.807 -39.6673 -43.7619 -39.6679 -207.581 26.7591 -43.762 26.7585 59.6012 GPRESSURE: 4492000 173.199 -18.9676 -54.1734 -101.874 -172.254 63.6536 -55.8763 72.0145 74.5296 PRESSAVG: 4492000 37.0833 -34.9434 32.5238 -34.9434 13.3892 44.7949 32.5238 44.7948 -29.4382 GPRESSAVG: 4492000 37.6688 -35.6466 31.6822 -36.3666 13.4941 44.6311 32.9886 45.8054 -29.9428 TIMING: 4492000 CPU: 13052.2, 0.00289259/step Wall: 13052.2, 0.00289259/step, 0.408177 hours remaining, 211.054688 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: 4492000 757.6044 2087.0319 1967.7220 122.9420 -206465.3514 17833.4991 0.0000 0.0000 34230.9101 -149465.6420 298.9471 -183696.5521 -149374.3186 298.7928 -7.7240 25.1583 556537.6877 7.0114 7.0734 PRESSURE: 4492200 -123.796 -22.7734 62.048 -22.7744 -99.0668 -43.3706 62.0473 -43.3706 -72.26 GPRESSURE: 4492200 -117.373 16.883 43.6038 -106.37 -57.2577 8.38484 102.068 -38.9257 -14.035 PRESSAVG: 4492200 -13.7092 31.1623 -36.3797 31.1623 9.46807 -20.7661 -36.3796 -20.7662 47.275 GPRESSAVG: 4492200 -14.222 31.3276 -35.9365 31.194 10.056 -20.9938 -36.8925 -21.726 47.621 TIMING: 4492200 CPU: 13052.8, 0.00290823/step Wall: 13052.8, 0.00290823/step, 0.410221 hours remaining, 211.054688 MB of memory in use. ENERGY: 4492200 712.3700 2052.7673 1932.8260 110.5179 -206112.7979 17518.5965 0.0000 0.0000 34180.6585 -149605.0616 298.5082 -183785.7201 -149502.1155 298.7607 -98.3742 -62.8886 557214.3339 14.3446 14.4850 LDB: ============= START OF LOAD BALANCING ============== 13056.2 LDB: ============== END OF LOAD BALANCING =============== 13056.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13056.2 LDB: ============= START OF LOAD BALANCING ============== 13056.5 LDB: Largest compute 4848 load 0.030335 is 25.7% of average load 0.117875 LDB: Average compute 0.001738 is 1.5% of average load 0.117875 LDB: TIME 13056.5 LOAD: AVG 0.117875 MAX 0.182433 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 13056.5 LOAD: AVG 0.117875 MAX 0.182433 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: TIME 13056.5 LOAD: AVG 0.117875 MAX 0.182433 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.816 MB LDB: ============== END OF LOAD BALANCING =============== 13056.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13056.5 PRESSURE: 4492400 -367.087 90.399 81.1384 90.3991 -82.5694 99.361 81.1386 99.3623 86.9809 GPRESSURE: 4492400 -305.649 -21.1038 60.7572 81.8966 -59.9289 194.177 27.9843 66.9559 92.9317 PRESSAVG: 4492400 21.2384 10.2847 83.7825 10.2847 -40.7779 12.0876 83.7825 12.0877 27.7025 GPRESSAVG: 4492400 22.2299 10.8462 84.228 10.928 -40.9566 13.3373 82.2595 12.9906 27.1489 TIMING: 4492400 CPU: 13053.3, 0.00298549/step Wall: 13053.3, 0.00298549/step, 0.420954 hours remaining, 207.355469 MB of memory in use. ENERGY: 4492400 722.6035 2083.2847 1947.4951 124.3026 -206210.9042 17446.2773 0.0000 0.0000 34303.9666 -149582.9745 299.5851 -183886.9411 -149487.8688 297.9327 -120.8918 -90.8822 555470.5166 2.7210 2.8074 PRESSURE: 4492600 -65.5228 -30.0439 83.3147 -30.0428 59.9521 93.1513 83.315 93.1526 49.7381 GPRESSURE: 4492600 -15.5572 -25.3352 -2.43709 -38.16 73.3089 88.7056 79.7699 70.981 78.9373 PRESSAVG: 4492600 -42.7506 20.558 37.8163 20.5581 28.2546 35.4856 37.8163 35.4856 12.2974 GPRESSAVG: 4492600 -43.3118 20.4911 35.883 22.1079 27.6664 31.4434 40.7368 35.1805 12.9904 TIMING: 4492600 CPU: 13053.9, 0.0028909/step Wall: 13053.9, 0.0028909/step, 0.407457 hours remaining, 207.558594 MB of memory in use. ENERGY: 4492600 736.9967 2046.3026 1966.1707 107.6212 -206259.1847 17671.3905 0.0000 0.0000 34264.5595 -149466.1435 299.2409 -183730.7030 -149366.3419 298.5609 14.7225 45.5630 555331.1175 -0.7329 -0.8850 PRESSURE: 4492800 -342.066 162.611 -245.205 162.61 44.1298 90.2687 -245.205 90.2676 -130.126 GPRESSURE: 4492800 -284.319 168.821 -172.278 186.487 45.6534 26.5614 -286.664 100.499 -96.3831 PRESSAVG: 4492800 -36.5077 8.564 -18.1768 8.56404 10.4553 14.9038 -18.1768 14.9038 15.7357 GPRESSAVG: 4492800 -36.3697 8.76108 -15.2722 5.59512 10.3987 16.9407 -21.163 16.2065 15.766 TIMING: 4492800 CPU: 13054.5, 0.0029043/step Wall: 13054.5, 0.0029043/step, 0.409184 hours remaining, 207.558594 MB of memory in use. ENERGY: 4492800 725.6712 2076.8567 1969.9682 108.8227 -205569.4791 17380.5847 0.0000 0.0000 34024.3382 -149283.2373 297.1430 -183307.5756 -149187.5016 298.8689 -142.6874 -111.6828 556843.8284 -3.4389 -3.4017 PRESSURE: 4493000 -78.0833 23.5962 -13.1832 23.5969 -149.743 15.8557 -13.1829 15.8545 123.065 GPRESSURE: 4493000 -50.752 5.16854 -69.0549 27.3438 -113.546 -53.5254 2.22292 95.112 159.818 PRESSAVG: 4493000 55.9427 -36.8646 -6.7385 -36.8646 -7.01475 26.672 -6.73846 26.672 -2.71965 GPRESSAVG: 4493000 56.4102 -38.3651 -7.97749 -36.1278 -8.3896 27.5839 -5.83491 26.4545 -1.56508 TIMING: 4493000 CPU: 13055.1, 0.00288055/step Wall: 13055.1, 0.00288055/step, 0.405677 hours remaining, 207.558594 MB of memory in use. ENERGY: 4493000 730.1633 2021.3729 1959.3807 113.6719 -206341.1227 17764.2542 0.0000 0.0000 34380.5496 -149371.7301 300.2539 -183752.2797 -149265.6640 299.3028 -34.9203 -1.4937 556576.1500 15.4028 15.4852 PRESSURE: 4493200 265.807 65.8883 -90.4665 65.8883 93.3771 -3.95549 -90.4666 -3.95411 203.069 GPRESSURE: 4493200 334.751 4.76481 -75.6408 106.421 101.566 91.9582 -171.381 -100.791 224.434 PRESSAVG: 4493200 2.28879 -57.978 1.47572 -57.978 -74.0561 -53.1026 1.47575 -53.1024 14.4522 GPRESSAVG: 4493200 2.23618 -56.8377 0.125244 -57.0967 -72.7373 -54.0239 2.10629 -54.6206 12.9789 TIMING: 4493200 CPU: 13055.7, 0.00288794/step Wall: 13055.7, 0.00288794/step, 0.406558 hours remaining, 207.558594 MB of memory in use. ENERGY: 4493200 757.8248 2066.6219 1977.8645 119.5569 -206576.9392 18129.4390 0.0000 0.0000 34246.9197 -149278.7124 299.0869 -183525.6321 -149184.6955 299.4834 187.4180 220.2503 556126.1681 -19.1050 -19.1741 PRESSURE: 4493400 -222.652 129.07 38.1306 129.071 -73.4673 199.746 38.1322 199.746 -74.061 GPRESSURE: 4493400 -131.72 120.228 42.5777 65.9832 -59.8983 133.864 49.814 217.634 -59.585 PRESSAVG: 4493400 39.0699 -35.93 -70.7151 -35.9299 9.58088 -24.1524 -70.7152 -24.1524 -5.70283 GPRESSAVG: 4493400 39.9364 -36.1842 -69.5729 -35.757 8.91038 -23.6607 -71.0469 -24.4841 -4.96467 TIMING: 4493400 CPU: 13056.2, 0.00291468/step Wall: 13056.2, 0.00291468/step, 0.410161 hours remaining, 207.558594 MB of memory in use. ENERGY: 4493400 740.3819 2099.6268 1953.5166 104.9022 -206134.5393 17699.7781 0.0000 0.0000 34140.0487 -149396.2851 298.1535 -183536.3338 -149294.1124 299.0958 -123.3935 -83.7345 557829.7749 14.3160 14.6274 PRESSURE: 4493600 -234.196 92.9943 -98.6483 92.9957 272.96 60.304 -98.6491 60.3036 -108.595 GPRESSURE: 4493600 -193.086 64.2515 -185.932 169.373 304.764 -23.1383 -44.7934 94.9998 -89.1778 PRESSAVG: 4493600 25.1057 14.3941 66.2573 14.3942 -27.6417 -50.0893 66.2573 -50.0893 -6.12998 GPRESSAVG: 4493600 24.8564 15.5445 65.9 11.8302 -27.4296 -49.8721 65.2192 -48.9678 -6.06785 TIMING: 4493600 CPU: 13056.8, 0.00290909/step Wall: 13056.8, 0.00290909/step, 0.409212 hours remaining, 207.558594 MB of memory in use. ENERGY: 4493600 727.3129 2069.5419 1942.4147 108.4342 -206234.8444 17710.1458 0.0000 0.0000 34192.8795 -149484.1152 298.6149 -183676.9948 -149380.6252 298.2068 -23.2772 7.5002 556414.6855 -2.8887 -2.8803 PRESSURE: 4493800 -73.7981 -18.1498 65.8115 -18.1491 -171.901 -44.6669 65.8105 -44.6667 139.349 GPRESSURE: 4493800 -49.9756 -39.8846 23.2729 28.4883 -87.1924 -38.921 75.3726 -4.57428 140.152 PRESSAVG: 4493800 22.2491 -28.8023 -26.4398 -28.8023 39.0177 -9.06536 -26.4399 -9.0654 -24.3079 GPRESSAVG: 4493800 21.8104 -30.4105 -27.0517 -25.6879 38.7005 -9.41405 -25.1078 -8.25115 -23.1366 TIMING: 4493800 CPU: 13057.4, 0.00288857/step Wall: 13057.4, 0.00288857/step, 0.406165 hours remaining, 207.558594 MB of memory in use. ENERGY: 4493800 761.0771 2081.9974 1925.4287 123.0472 -206565.6622 17899.7096 0.0000 0.0000 34259.4742 -149514.9279 299.1965 -183774.4021 -149417.4852 298.3320 -35.4499 0.9945 556814.7087 12.3196 12.4581 PRESSURE: 4494000 71.5634 194.035 14.7953 194.035 -14.6918 -208.67 14.7962 -208.668 -102.129 GPRESSURE: 4494000 119.796 205.227 67.2561 146.366 25.4791 -236.214 -11.3457 -230.632 -78.3153 PRESSAVG: 4494000 54.5448 -1.29701 23.8903 -1.29696 18.0892 14.9706 23.8902 14.9708 -58.1875 GPRESSAVG: 4494000 54.2812 -0.183412 25.3044 -2.92104 19.3077 17.1036 22.544 13.4691 -59.1056 TIMING: 4494000 CPU: 13058, 0.00290026/step Wall: 13058, 0.00290026/step, 0.407647 hours remaining, 207.558594 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: 4494000 727.0531 2081.0565 1983.3669 118.9207 -206335.7417 17901.5211 0.0000 0.0000 34152.3400 -149371.4833 298.2609 -183523.8233 -149273.2511 299.0904 -15.0858 22.3199 557779.2863 4.8155 4.8277 PRESSURE: 4494200 289.188 87.8832 -41.91 87.883 -320.793 14.6897 -41.9097 14.6887 -44.9538 GPRESSURE: 4494200 327.118 90.0674 -14.7178 110.292 -273.711 31.2836 -75.4636 28.2386 -47.5798 PRESSAVG: 4494200 21.0876 32.3758 -14.1339 32.3758 -30.8116 -4.24627 -14.134 -4.24638 31.5085 GPRESSAVG: 4494200 21.9148 31.8498 -15.0629 32.8481 -33.171 -6.50399 -12.9154 -3.01618 32.7816 TIMING: 4494200 CPU: 13058.6, 0.00290045/step Wall: 13058.6, 0.00290045/step, 0.407513 hours remaining, 207.558594 MB of memory in use. ENERGY: 4494200 752.5942 2100.5864 1990.1990 109.6771 -206387.5160 17883.3826 0.0000 0.0000 34221.4624 -149329.6142 298.8645 -183551.0766 -149234.3160 298.7534 -25.5195 1.9424 558658.7517 7.2615 7.1751 PRESSURE: 4494400 -105.648 47.2702 69.8895 47.2699 191.895 70.6062 69.8889 70.6054 8.8335 GPRESSURE: 4494400 -79.3676 69.3671 74.7622 70.0661 232.333 56.1759 32.7859 86.4804 53.6182 PRESSAVG: 4494400 32.191 11.9728 -8.27487 11.9728 -2.5313 26.9508 -8.27491 26.9508 -23.5587 GPRESSAVG: 4494400 31.4778 11.109 -8.65013 13.0946 -0.902499 28.0083 -7.70128 26.9458 -24.073 TIMING: 4494400 CPU: 13059.1, 0.00290047/step Wall: 13059.1, 0.00290047/step, 0.407355 hours remaining, 207.558594 MB of memory in use. ENERGY: 4494400 720.4889 2058.3902 1971.1190 120.3644 -206539.4989 18038.9106 0.0000 0.0000 34173.1086 -149457.1172 298.4423 -183630.2258 -149362.8005 297.7198 31.6935 68.8613 556505.1462 2.0337 2.1674 PRESSURE: 4494600 96.5461 -29.1796 -108.692 -29.1793 15.9663 114.273 -108.692 114.273 160.12 GPRESSURE: 4494600 122.775 -15.071 -75.7874 -53.8349 75.3002 154.302 -90.176 47.48 166.143 PRESSAVG: 4494600 -10.6982 16.9476 -0.751393 16.9475 -24.2134 8.05565 -0.75143 8.05567 35.893 GPRESSAVG: 4494600 -10.9502 17.8949 -0.126894 15.5523 -23.3422 6.89459 -0.86736 7.42244 35.651 TIMING: 4494600 CPU: 13059.7, 0.00290767/step Wall: 13059.7, 0.00290767/step, 0.408204 hours remaining, 207.558594 MB of memory in use. ENERGY: 4494600 721.8817 2064.9829 1955.3452 126.9380 -206622.3601 18167.6457 0.0000 0.0000 34200.4856 -149385.0810 298.6813 -183585.5667 -149288.3797 298.3753 90.8776 121.4059 556977.1822 0.3271 0.4529 PRESSURE: 4494800 161.236 56.6371 -184.79 56.6347 263.577 86.9375 -184.791 86.9387 115.483 GPRESSURE: 4494800 196.907 72.9297 -170.3 81.3191 351 -10.5015 -194.035 163.458 82.2882 PRESSAVG: 4494800 -4.93104 -39.508 -32.8589 -39.5081 -1.32957 -6.87173 -32.8588 -6.87177 -12.5177 GPRESSAVG: 4494800 -3.76785 -42.1046 -31.5666 -38.3336 -2.35421 -5.70437 -32.9215 -8.141 -12.552 TIMING: 4494800 CPU: 13060.3, 0.00290146/step Wall: 13060.3, 0.00290146/step, 0.407171 hours remaining, 207.558594 MB of memory in use. ENERGY: 4494800 752.3875 2039.8094 1948.3386 113.2564 -206472.6299 18083.2855 0.0000 0.0000 34069.2463 -149466.3063 297.5352 -183535.5526 -149368.8780 298.2620 180.0989 210.0651 556260.8853 -6.2594 -6.2247 PRESSURE: 4495000 -65.4914 -196.891 -90.561 -196.89 112.347 5.18305 -90.5611 5.18304 -25.8847 GPRESSURE: 4495000 -14.625 -99.3683 -164.738 -204.067 105.984 -28.7238 -73.8202 -26.2719 29.908 PRESSAVG: 4495000 3.13333 -23.2369 11.3841 -23.2368 -23.7258 12.6098 11.3843 12.6098 23.0965 GPRESSAVG: 4495000 3.25048 -20.8442 10.5231 -23.2807 -23.5598 12.8711 11.5023 11.8013 22.9934 TIMING: 4495000 CPU: 13060.9, 0.00289708/step Wall: 13060.9, 0.00289708/step, 0.406396 hours remaining, 207.558594 MB of memory in use. ENERGY: 4495000 745.9344 2124.6508 1923.0206 106.7409 -206395.8259 17881.9896 0.0000 0.0000 34210.6831 -149402.8064 298.7704 -183613.4895 -149308.2196 297.9954 6.9903 40.4225 556905.9019 0.8347 0.8947 PRESSURE: 4495200 50.9895 -110.83 -18.3233 -110.829 24.9455 -103.389 -18.3233 -103.389 -53.7084 GPRESSURE: 4495200 87.1941 -195.822 -151.363 -160.424 100.713 -156.474 73.503 -19.2731 -49.3837 PRESSAVG: 4495200 14.7411 -7.02032 -9.90284 -7.02014 38.2057 -51.9553 -9.90292 -51.9552 -54.5026 GPRESSAVG: 4495200 14.3494 -6.37592 -10.9939 -8.26069 37.7547 -52.2929 -10.2133 -49.0102 -52.9733 TIMING: 4495200 CPU: 13061.5, 0.00289063/step Wall: 13061.5, 0.00289063/step, 0.40533 hours remaining, 207.558594 MB of memory in use. ENERGY: 4495200 744.4615 2071.7518 1952.4777 108.9659 -206425.2931 17850.2443 0.0000 0.0000 34359.8903 -149337.5017 300.0735 -183697.3920 -149249.7960 298.7107 7.4089 46.1744 555793.7215 -0.5186 -0.2897 PRESSURE: 4495400 -180.082 -116.987 -113.549 -116.987 16.9364 -12.3063 -113.548 -12.3078 22.6936 GPRESSURE: 4495400 -143.821 -77.4103 -94.1652 -96.8674 38.7811 -7.66878 -77.0931 33.5152 54.8133 PRESSAVG: 4495400 30.409 11.3441 -26.9224 11.344 6.20988 -50.5239 -26.9224 -50.5239 -17.805 GPRESSAVG: 4495400 31.7601 10.9765 -25.9946 10.6895 6.65547 -51.5356 -28.2592 -50.7257 -19.6799 TIMING: 4495400 CPU: 13062, 0.00287367/step Wall: 13062, 0.00287367/step, 0.402792 hours remaining, 207.558594 MB of memory in use. ENERGY: 4495400 726.6929 2121.3635 1930.8554 122.4342 -206126.7892 17619.4158 0.0000 0.0000 34390.6000 -149215.4275 300.3417 -183606.0275 -149117.5414 298.7077 -46.8175 -16.7424 555754.5049 6.2713 6.2452 PRESSURE: 4495600 -114.059 -23.3838 12.182 -23.3838 140.284 -158.977 12.1817 -158.976 155.954 GPRESSURE: 4495600 -93.4362 -69.1823 -56.8724 -19.134 171.824 -125.712 -10.1365 -164.981 195.064 PRESSAVG: 4495600 -19.7631 22.9489 16.8174 22.949 12.4569 -31.7248 16.8175 -31.7249 42.787 GPRESSAVG: 4495600 -20.7366 23.6775 16.267 22.5423 12.142 -31.181 17.7243 -31.9534 43.575 TIMING: 4495600 CPU: 13062.6, 0.00288067/step Wall: 13062.6, 0.00288067/step, 0.403614 hours remaining, 207.558594 MB of memory in use. ENERGY: 4495600 795.1033 2069.7757 1980.5050 119.2508 -206286.7641 17834.5810 0.0000 0.0000 34174.9268 -149312.6216 298.4581 -183487.5484 -149226.6396 298.7931 60.7263 91.1506 556101.0485 11.8269 11.6602 PRESSURE: 4495800 24.9393 83.7424 -79.9842 83.7433 -48.8471 41.0323 -79.9841 41.0325 7.92268 GPRESSURE: 4495800 32.7695 90.6402 -54.0083 56.0322 13.4522 147.049 -108.862 -10.4956 37.7241 PRESSAVG: 4495800 9.24071 -15.8764 -43.0486 -15.8764 -39.4609 15.4258 -43.0486 15.4257 -12.4401 GPRESSAVG: 4495800 8.84182 -17.739 -41.9419 -14.5114 -40.22 14.8955 -42.4992 13.1842 -11.1673 TIMING: 4495800 CPU: 13063.2, 0.00288764/step Wall: 13063.2, 0.00288764/step, 0.404431 hours remaining, 207.558594 MB of memory in use. ENERGY: 4495800 748.4927 2092.3650 1955.1050 122.5489 -206162.1073 17837.7394 0.0000 0.0000 34022.0697 -149383.7865 297.1232 -183405.8562 -149293.2650 298.8645 -5.3284 27.9819 556261.5613 -14.2201 -14.1818 PRESSURE: 4496000 85.2275 -136.314 -116.184 -136.314 -118.489 37.2708 -116.184 37.2714 -241.07 GPRESSURE: 4496000 76.0204 -86.9116 -108.111 -125.999 -77.9664 21.5768 -139.348 21.9957 -185.905 PRESSAVG: 4496000 59.969 12.64 -34.5842 12.64 6.71311 40.4334 -34.5843 40.4334 -71.3201 GPRESSAVG: 4496000 59.9707 11.7787 -36.5277 12.4813 6.91091 42.2991 -34.4247 39.4639 -72.4969 TIMING: 4496000 CPU: 13063.8, 0.00288241/step Wall: 13063.8, 0.00288241/step, 0.403538 hours remaining, 207.558594 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: 4496000 745.2694 2110.1349 1968.1871 114.2490 -206018.2250 17543.2900 0.0000 0.0000 34252.0765 -149285.0183 299.1319 -183537.0948 -149191.2691 299.0655 -91.4438 -62.6170 556556.6754 -1.5460 -1.8718 PRESSURE: 4496200 32.5973 145.431 -7.33846 145.431 86.4797 233.304 -7.33764 233.304 -46.16 GPRESSURE: 4496200 51.2638 45.2895 -73.1392 113.62 143.507 241.377 70.4762 155.196 -25.2159 PRESSAVG: 4496200 13.674 -37.3066 -54.5718 -37.3065 -23.915 13.7642 -54.5718 13.7643 -5.77706 GPRESSAVG: 4496200 13.1602 -36.8269 -53.2712 -37.623 -24.3828 9.65263 -55.4739 15.3087 -4.67664 TIMING: 4496200 CPU: 13064.3, 0.00289423/step Wall: 13064.3, 0.00289423/step, 0.405032 hours remaining, 207.558594 MB of memory in use. ENERGY: 4496200 692.5266 2077.0491 1953.5495 109.8530 -206197.4497 17832.9151 0.0000 0.0000 34285.8507 -149245.7058 299.4269 -183531.5565 -149148.2740 298.5334 24.3057 56.5182 557895.5117 -5.3394 -5.2998 LDB: ============= START OF LOAD BALANCING ============== 13067.8 LDB: ============== END OF LOAD BALANCING =============== 13067.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13067.8 LDB: ============= START OF LOAD BALANCING ============== 13068.1 LDB: Largest compute 4848 load 0.030703 is 26.1% of average load 0.117756 LDB: Average compute 0.001733 is 1.5% of average load 0.117756 LDB: TIME 13068.1 LOAD: AVG 0.117756 MAX 0.18041 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 13068.1 LOAD: AVG 0.117756 MAX 0.18041 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: TIME 13068.1 LOAD: AVG 0.117756 MAX 0.18041 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13068.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13068.1 PRESSURE: 4496400 -127.564 -113.26 59.7796 -113.26 -62.8198 -18.6024 59.7791 -18.6028 -121.61 GPRESSURE: 4496400 -107.895 -115.571 53.635 -68.2268 41.7172 45.188 79.2824 -16.9866 -149.372 PRESSAVG: 4496400 19.649 32.8342 -23.0039 32.8342 -16.3854 25.2259 -23.004 25.226 35.6437 GPRESSAVG: 4496400 19.7562 30.1702 -24.5182 33.755 -14.5415 27.9335 -20.0246 25.2263 33.4858 TIMING: 4496400 CPU: 13064.9, 0.00294482/step Wall: 13064.9, 0.00294482/step, 0.411948 hours remaining, 206.843750 MB of memory in use. ENERGY: 4496400 717.9198 2118.9992 1941.6640 111.9315 -206194.9353 17683.3290 0.0000 0.0000 34353.5774 -149267.5145 300.0183 -183621.0919 -149169.3587 298.8711 -103.9978 -71.8499 557252.7998 12.9691 12.9002 PRESSURE: 4496600 278.428 80.8121 -112.825 80.8109 243.996 16.2807 -112.825 16.2802 138.881 GPRESSURE: 4496600 333.653 44.0092 -96.7979 123.614 246.434 105.186 -117.891 20.2928 167.956 PRESSAVG: 4496600 -7.61892 -37.1433 -35.4262 -37.1433 3.41595 19.7489 -35.4262 19.7489 21.157 GPRESSAVG: 4496600 -6.75451 -35.453 -37.133 -37.2706 1.33616 19.2535 -37.9336 20.2713 22.2422 TIMING: 4496600 CPU: 13065.5, 0.00290263/step Wall: 13065.5, 0.00290263/step, 0.405885 hours remaining, 206.843750 MB of memory in use. ENERGY: 4496600 719.1425 2122.4074 1956.0518 115.6111 -206396.6499 18004.3820 0.0000 0.0000 34329.9403 -149149.1149 299.8119 -183479.0552 -149058.2941 298.6067 220.4348 249.3479 556098.1160 5.6514 5.6079 PRESSURE: 4496800 -125.544 93.4282 9.65285 93.4283 69.2266 -266.993 9.65319 -266.991 -243.908 GPRESSURE: 4496800 -89.8756 140.196 -26.1555 72.4087 46.1683 -307.68 12.4621 -212.727 -140.086 PRESSAVG: 4496800 -95.6212 22.5936 -49.836 22.5935 61.0098 3.44651 -49.836 3.44647 16.5328 GPRESSAVG: 4496800 -96.9814 22.0988 -48.6155 22.9876 62.0404 -0.411204 -50.0041 5.033 17.2607 TIMING: 4496800 CPU: 13066.1, 0.00287548/step Wall: 13066.1, 0.00287548/step, 0.401929 hours remaining, 206.843750 MB of memory in use. ENERGY: 4496800 704.9540 2023.0334 1959.6437 107.5109 -206016.0471 17641.0557 0.0000 0.0000 34197.1212 -149382.7282 298.6520 -183579.8494 -149287.6784 297.9738 -100.0752 -61.2646 557090.3348 -6.0262 -5.8934 PRESSURE: 4497000 26.0481 23.6788 98.4599 23.6802 438.665 1.15942 98.4613 1.15893 -76.1291 GPRESSURE: 4497000 69.46 -43.9423 152.759 13.1545 421.584 -52.6489 140.314 -18.658 -11.3734 PRESSAVG: 4497000 -28.9802 81.6823 -2.08253 81.6823 36.2686 -24.1731 -2.08257 -24.1731 -15.5844 GPRESSAVG: 4497000 -29.2896 82.0624 -1.22479 80.8751 37.2414 -20.8114 -2.71574 -27.8971 -16.03 TIMING: 4497000 CPU: 13066.7, 0.00287657/step Wall: 13066.7, 0.00287657/step, 0.401921 hours remaining, 206.843750 MB of memory in use. ENERGY: 4497000 710.6288 2066.7029 1929.5142 115.1713 -206456.6983 17979.0863 0.0000 0.0000 34303.7302 -149351.8647 299.5830 -183655.5949 -149251.9436 298.8187 129.5280 159.8903 557311.9380 -2.7654 -2.6928 PRESSURE: 4497200 166.707 28.0438 22.0811 28.0449 124.459 53.7906 22.0797 53.7913 -41.1828 GPRESSURE: 4497200 131.127 28.9725 -97.2143 11.0965 165.798 12.7285 108.774 65.8973 63.4679 PRESSAVG: 4497200 21.3265 87.3952 3.93193 87.3953 15.9101 0.374178 3.93195 0.374193 -1.96187 GPRESSAVG: 4497200 20.9887 88.9068 2.95849 86.1006 15.1653 -1.14815 5.14662 2.38342 -1.45543 TIMING: 4497200 CPU: 13067.2, 0.00288551/step Wall: 13067.2, 0.00288551/step, 0.40301 hours remaining, 207.039062 MB of memory in use. ENERGY: 4497200 736.0948 2049.7400 1967.8883 115.2238 -206023.6363 17889.4676 0.0000 0.0000 34065.7020 -149199.5198 297.5042 -183265.2218 -149106.8645 299.1617 83.3276 120.1308 557410.5103 11.7582 11.5662 PRESSURE: 4497400 -318.719 -20.761 -70.8106 -20.7605 -226.787 -30.9172 -70.8098 -30.918 -478.246 GPRESSURE: 4497400 -277.311 -33.8979 -42.4256 -18.6275 -221.484 -54.2671 -80.8005 -42.5949 -425.94 PRESSAVG: 4497400 6.66182 34.7322 -30.3144 34.7322 -56.4078 -9.45835 -30.3144 -9.45835 69.6925 GPRESSAVG: 4497400 7.83479 33.6095 -29.3515 36.5754 -56.9487 -8.70018 -30.3988 -10.0925 68.5448 TIMING: 4497400 CPU: 13067.8, 0.00290138/step Wall: 13067.8, 0.00290138/step, 0.405065 hours remaining, 207.039062 MB of memory in use. ENERGY: 4497400 787.1875 2066.4975 1973.8986 110.5475 -205581.5131 17276.9037 0.0000 0.0000 34158.0139 -149208.4646 298.3104 -183366.4784 -149114.0870 298.3951 -341.2506 -308.2450 558384.2458 6.6488 6.4770 PRESSURE: 4497600 -110.723 161.791 11.0272 161.79 82.8653 61.7018 11.0276 61.7005 -175.138 GPRESSURE: 4497600 -101.237 152.324 -17.2324 232.455 168.946 8.41174 37.721 85.5776 -170.626 PRESSAVG: 4497600 35.3621 -2.49685 -63.8502 -2.49686 43.9493 -9.54147 -63.8503 -9.54153 -99.8486 GPRESSAVG: 4497600 35.8622 -3.61795 -64.5954 -2.42652 42.9762 -8.92597 -62.7583 -9.39005 -99.6596 TIMING: 4497600 CPU: 13068.4, 0.00288967/step Wall: 13068.4, 0.00288967/step, 0.40327 hours remaining, 207.039062 MB of memory in use. ENERGY: 4497600 748.8742 2047.8739 1978.0066 106.8804 -205940.1075 17737.0715 0.0000 0.0000 34184.3908 -149137.0101 298.5408 -183321.4009 -149036.7681 298.7036 -67.6653 -34.3057 558353.6799 -6.8457 -6.9404 PRESSURE: 4497800 -98.2739 -157.391 -98.2468 -157.392 189.891 -33.8767 -98.2464 -33.8786 -174.702 GPRESSURE: 4497800 -58.6928 -132.771 -131.555 -151.2 202.867 -136.436 -124.973 46.3964 -134.093 PRESSAVG: 4497800 87.8384 -21.1167 -12.1565 -21.1168 -25.3014 -5.11863 -12.1565 -5.11866 -27.1368 GPRESSAVG: 4497800 87.8221 -21.0068 -9.95467 -20.5356 -25.9881 -6.36307 -16.3135 -5.52902 -26.6465 TIMING: 4497800 CPU: 13069, 0.00288576/step Wall: 13069, 0.00288576/step, 0.402563 hours remaining, 207.039062 MB of memory in use. ENERGY: 4497800 702.8107 2097.0778 1956.6455 110.7476 -205790.0500 17581.5832 0.0000 0.0000 34276.6691 -149064.5160 299.3467 -183341.1851 -148969.5366 299.5603 -27.6950 3.3606 557511.1654 11.8000 11.7292 PRESSURE: 4498000 117.862 192.158 0.636505 192.158 168.714 67.7463 0.636866 67.7472 34.5288 GPRESSURE: 4498000 200.761 186.179 52.2109 233.254 143.231 123.616 37.132 -9.07501 74.1644 PRESSAVG: 4498000 -59.521 -18.544 -69.6747 -18.544 18.2608 -17.1297 -69.6746 -17.1297 47.0134 GPRESSAVG: 4498000 -60.3206 -17.8379 -71.9566 -20.3339 18.2738 -15.6038 -66.9393 -17.4393 47.5535 TIMING: 4498000 CPU: 13069.6, 0.00288688/step Wall: 13069.6, 0.00288688/step, 0.40256 hours remaining, 207.039062 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: 4498000 762.1196 2090.3676 1956.1204 107.6646 -206357.8597 18068.3149 0.0000 0.0000 34261.5585 -149111.7142 299.2147 -183373.2726 -149019.4547 299.5631 107.0350 139.3855 558411.8629 1.9177 1.8355 PRESSURE: 4498200 -41.5686 -16.8038 66.2008 -16.8034 2.0108 56.2238 66.2011 56.2236 25.7808 GPRESSURE: 4498200 -46.2306 -49.049 59.3486 -11.4084 100.204 32.0854 47.204 29.2059 14.3558 PRESSAVG: 4498200 -2.51374 -4.56209 -26.394 -4.56208 77.4079 -12.1528 -26.3941 -12.1528 -63.961 GPRESSAVG: 4498200 -2.64442 -5.20093 -26.4304 -3.26521 77.4216 -12.6657 -26.8918 -11.3475 -64.4163 TIMING: 4498200 CPU: 13070.1, 0.00288985/step Wall: 13070.1, 0.00288985/step, 0.402813 hours remaining, 207.039062 MB of memory in use. ENERGY: 4498200 765.9521 2074.1805 1962.1301 108.8644 -205942.1401 17715.4157 0.0000 0.0000 34408.9131 -148906.6843 300.5016 -183315.5974 -148803.2728 299.2405 -4.5924 22.7762 558479.7807 3.6444 3.4536 PRESSURE: 4498400 54.0712 -66.2009 -159.86 -66.2012 -51.0345 -67.9919 -159.86 -67.9931 -314.689 GPRESSURE: 4498400 124.681 -116.896 -120.359 -52.1633 -55.4215 -76.4837 -201.682 -132.728 -276.065 PRESSAVG: 4498400 32.9548 -49.7139 -11.2253 -49.7139 -12.9767 13.6956 -11.2253 13.6957 -52.3644 GPRESSAVG: 4498400 34.5199 -49.0315 -10.46 -47.9166 -12.8938 12.108 -11.087 12.4008 -53.0707 TIMING: 4498400 CPU: 13070.7, 0.002903/step Wall: 13070.7, 0.002903/step, 0.404485 hours remaining, 207.039062 MB of memory in use. ENERGY: 4498400 753.7455 2106.3021 1947.7839 111.8888 -205901.4749 17585.1232 0.0000 0.0000 34332.3391 -149064.2924 299.8329 -183396.6315 -148964.6184 299.3065 -103.8840 -68.9352 557777.1369 -10.7954 -10.4815 PRESSURE: 4498600 46.1387 42.0026 -69.1247 42.0037 -149.844 96.6797 -69.1247 96.6795 -41.3729 GPRESSURE: 4498600 62.7833 69.0134 -140.79 55.108 -98.1756 44.0206 44.4698 82.8587 -17.0092 PRESSAVG: 4498600 25.6132 42.7202 -50.0984 42.7203 -24.8228 2.468 -50.0984 2.46799 -22.1239 GPRESSAVG: 4498600 24.0104 41.8711 -50.5909 42.09 -23.5926 3.01695 -48.1869 4.03395 -21.1219 TIMING: 4498600 CPU: 13071.3, 0.00289946/step Wall: 13071.3, 0.00289946/step, 0.40383 hours remaining, 207.039062 MB of memory in use. ENERGY: 4498600 740.7081 2051.3787 1952.1632 104.2598 -205959.6668 17685.7614 0.0000 0.0000 34314.4523 -149110.9432 299.6766 -183425.3956 -149012.9302 299.4666 -48.3594 -17.4672 558121.0451 -7.1112 -6.9014 PRESSURE: 4498800 -318.728 168.33 62.4931 168.329 -76.5136 -27.0539 62.4941 -27.0536 -17.9128 GPRESSURE: 4498800 -241.215 236.979 49.7264 101.255 -72.3286 42.5541 77.7105 -71.2497 -1.30476 PRESSAVG: 4498800 38.6688 59.1795 17.8859 59.1796 -6.9174 34.4158 17.886 34.4158 20.8492 GPRESSAVG: 4498800 39.8171 60.8397 17.7557 57.3029 -7.38665 34.5848 17.6053 31.4064 21.1722 TIMING: 4498800 CPU: 13071.9, 0.0028959/step Wall: 13071.9, 0.0028959/step, 0.403174 hours remaining, 207.039062 MB of memory in use. ENERGY: 4498800 738.0106 2140.8562 1938.9916 102.4317 -205850.2667 17577.8667 0.0000 0.0000 34302.7943 -149049.3156 299.5748 -183352.1099 -148954.1548 300.5723 -137.7182 -104.9493 556714.2973 17.5335 17.8676 PRESSURE: 4499000 63.1779 51.8239 41.5473 51.8221 185.478 -18.4441 41.5471 -18.4436 53.2835 GPRESSURE: 4499000 142.304 45.3071 -35.8217 -4.66387 199.601 -45.3483 95.9694 -51.7078 58.2309 PRESSAVG: 4499000 50.5659 -10.6116 -21.0189 -10.6116 35.9254 4.95769 -21.0189 4.95777 -59.3001 GPRESSAVG: 4499000 50.4703 -11.3412 -20.4727 -12.7269 36.2802 6.97891 -21.6285 6.66418 -59.3028 TIMING: 4499000 CPU: 13072.4, 0.00286752/step Wall: 13072.4, 0.00286752/step, 0.399063 hours remaining, 207.039062 MB of memory in use. ENERGY: 4499000 752.8287 2111.3302 1970.6346 110.8461 -206202.4766 18120.3670 0.0000 0.0000 34020.6340 -149115.8361 297.1107 -183136.4701 -149008.7523 299.3042 100.6465 133.3786 558020.3369 9.0637 9.1492 PRESSURE: 4499200 -203.114 212.126 31.1685 212.127 -253.016 -115.647 31.1691 -115.648 -176.858 GPRESSURE: 4499200 -169.141 189.558 77.1881 177.434 -274.005 -170.986 37.7964 -19.9448 -94.6142 PRESSAVG: 4499200 9.95365 7.08305 -19.5337 7.08307 -3.98667 1.12343 -19.5338 1.12354 17.6702 GPRESSAVG: 4499200 9.05031 7.20074 -18.1339 8.25408 -3.52838 0.343845 -20.8227 0.971684 18.6516 TIMING: 4499200 CPU: 13073, 0.00289567/step Wall: 13073, 0.00289567/step, 0.40282 hours remaining, 207.039062 MB of memory in use. ENERGY: 4499200 769.6862 2058.1036 1988.7433 109.8862 -205598.3481 17260.8102 0.0000 0.0000 34133.9757 -149277.1429 298.1005 -183411.1186 -149182.0257 298.9851 -210.9959 -179.2534 557952.7922 7.8791 8.0578 PRESSURE: 4499400 -197.307 262.893 -140.554 262.894 -149.141 175.235 -140.554 175.235 -376.068 GPRESSURE: 4499400 -210.322 139.978 -142.167 288.191 -99.6657 98.2154 -192.794 187.278 -323.695 PRESSAVG: 4499400 -37.346 25.9239 16.4274 25.9239 46.9918 29.5734 16.4274 29.5734 16.7135 GPRESSAVG: 4499400 -36.0567 25.6385 15.8187 27.5539 47.0455 26.7451 17.439 29.732 16.1716 TIMING: 4499400 CPU: 13073.6, 0.00288346/step Wall: 13073.6, 0.00288346/step, 0.400962 hours remaining, 207.039062 MB of memory in use. ENERGY: 4499400 721.7666 2071.3814 1964.3839 102.9134 -205945.6970 17392.0872 0.0000 0.0000 34221.4500 -149471.7145 298.8644 -183693.1645 -149372.7556 298.5390 -240.8389 -211.2275 558457.8231 8.7864 9.0535 PRESSURE: 4499600 31.6572 -18.545 -74.3453 -18.5451 74.2434 83.6564 -74.3466 83.6574 106.832 GPRESSURE: 4499600 53.0062 43.2569 -61.6753 -33.3451 126.099 5.63104 -87.9902 96.8864 128.314 PRESSAVG: 4499600 -75.2455 35.1779 -16.2988 35.1778 68.8147 57.7082 -16.2989 57.7083 -21.4862 GPRESSAVG: 4499600 -74.6827 36.0039 -16.8984 33.8754 69.0086 59.5132 -17.2646 57.8764 -20.8487 TIMING: 4499600 CPU: 13074.2, 0.00291781/step Wall: 13074.2, 0.00291781/step, 0.405576 hours remaining, 207.039062 MB of memory in use. ENERGY: 4499600 723.7846 2101.6666 1941.0044 116.8049 -206473.9270 17911.0566 0.0000 0.0000 34329.1733 -149350.4365 299.8052 -183679.6098 -149253.5765 298.5394 70.9107 102.4731 556289.5160 -9.3057 -8.8409 PRESSURE: 4499800 -151.051 55.4288 145.668 55.4282 163.019 -21.2839 145.668 -21.2836 -26.234 GPRESSURE: 4499800 -88.7352 -24.0863 60.4214 43.7512 169.514 -21.3692 171.551 -15.482 -10.3525 PRESSAVG: 4499800 -4.13919 -7.42539 1.62427 -7.42539 24.9501 -1.78556 1.62432 -1.78549 -26.6041 GPRESSAVG: 4499800 -3.99667 -7.3525 2.01317 -8.44778 25.2079 -3.40853 1.45268 -0.331679 -26.7677 TIMING: 4499800 CPU: 13074.8, 0.00289161/step Wall: 13074.8, 0.00289161/step, 0.401773 hours remaining, 207.039062 MB of memory in use. ENERGY: 4499800 746.8020 2061.9980 1966.7565 120.9342 -206384.8375 17905.4614 0.0000 0.0000 34057.0246 -149525.8607 297.4285 -183582.8853 -149430.0700 298.8479 -4.7555 23.4754 557109.3046 -1.9310 -1.8522 PRESSURE: 4500000 39.0187 -173.533 -61.3756 -173.534 -49.6754 -101.861 -61.3759 -101.86 258.367 GPRESSURE: 4500000 29.2238 -164.252 -148.621 -202.504 -39.0002 -62.9926 -8.51839 -86.8692 346.072 PRESSAVG: 4500000 29.9287 -0.919952 18.7474 -0.919908 -36.9095 -13.3892 18.7473 -13.3892 -1.06318 GPRESSAVG: 4500000 29.8791 -0.986776 19.5198 0.380285 -36.0632 -11.6048 18.8651 -15.5901 -2.14799 TIMING: 4500000 CPU: 13075.3, 0.00290053/step Wall: 13075.3, 0.00290053/step, 0.402852 hours remaining, 207.039062 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: 4500000 776.1905 2084.7606 1951.8875 99.8330 -206328.8143 17993.5038 0.0000 0.0000 34097.2573 -149325.3815 297.7798 -183422.6389 -149236.8986 298.6008 82.5700 112.0986 556022.0391 -2.6814 -2.7774 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.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 -224.707 -41.9468 -14.2516 -41.9462 -184.535 -190.179 -14.252 -190.179 -422.496 GPRESSURE: 4500200 -191.868 -28.5651 6.31922 41.4449 -140.309 -243.845 39.1419 -121.282 -400.266 PRESSAVG: 4500200 14.2527 -6.84628 12.109 -6.84624 -7.09054 -11.2516 12.1089 -11.2517 20.0657 GPRESSAVG: 4500200 14.5364 -5.5472 12.1356 -7.5623 -7.57044 -12.2343 12.3588 -10.6619 20.9149 TIMING: 4500200 CPU: 13075.9, 0.002975/step Wall: 13075.9, 0.002975/step, 0.413029 hours remaining, 207.039062 MB of memory in use. ENERGY: 4500200 774.4438 2083.2733 1933.2903 107.0737 -206085.0695 17683.8716 0.0000 0.0000 34221.7131 -149281.4038 298.8667 -183503.1169 -149184.5910 298.8210 -277.2460 -244.1474 558826.6466 9.0760 9.2936 LDB: ============= START OF LOAD BALANCING ============== 13079.4 LDB: ============== END OF LOAD BALANCING =============== 13079.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13079.4 LDB: ============= START OF LOAD BALANCING ============== 13079.7 LDB: Largest compute 4848 load 0.031144 is 26.4% of average load 0.117799 LDB: Average compute 0.001730 is 1.5% of average load 0.117799 LDB: TIME 13079.7 LOAD: AVG 0.117799 MAX 0.182817 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.965 MB LDB: TIME 13079.7 LOAD: AVG 0.117799 MAX 0.182817 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: TIME 13079.7 LOAD: AVG 0.117799 MAX 0.182817 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.098 MB LDB: ============== END OF LOAD BALANCING =============== 13079.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13079.7 PRESSURE: 4500400 -103.889 61.8312 -229.121 61.8308 177.208 21.9885 -229.12 21.9888 -185.246 GPRESSURE: 4500400 -88.7751 78.8614 -273.116 108.988 163.452 24.8556 -255.727 73.6878 -82.6996 PRESSAVG: 4500400 -12.7498 19.4114 -27.4579 19.4114 60.3521 71.8591 -27.4579 71.8591 -29.3943 GPRESSAVG: 4500400 -14.1521 15.8933 -29.3456 21.7605 61.0988 72.1197 -27.2928 72.1239 -28.7683 TIMING: 4500400 CPU: 13076.5, 0.00296198/step Wall: 13076.5, 0.00296198/step, 0.411058 hours remaining, 207.281250 MB of memory in use. ENERGY: 4500400 782.4948 2059.4040 1960.2479 128.1450 -206061.4518 17703.9034 0.0000 0.0000 34174.7240 -149252.5326 298.4564 -183427.2566 -149154.7066 300.1405 -37.3087 -2.6742 556681.1746 6.0693 6.0595 PRESSURE: 4500600 -91.8525 -56.2243 21.7874 -56.2246 -105.911 3.62026 21.7878 3.61955 48.7621 GPRESSURE: 4500600 -48.2551 -26.276 -46.9223 -21.1796 -78.7153 83.6824 104.365 31.1403 80.4683 PRESSAVG: 4500600 26.7617 59.3514 13.104 59.3513 11.6129 12.8925 13.104 12.8925 -26.7899 GPRESSAVG: 4500600 27.6434 63.6741 14.0001 55.3349 11.3731 11.5235 13.0932 13.2493 -27.1179 TIMING: 4500600 CPU: 13077.1, 0.00291214/step Wall: 13077.1, 0.00291214/step, 0.403979 hours remaining, 207.484375 MB of memory in use. ENERGY: 4500600 737.3432 2168.2564 1929.3356 122.1327 -206118.4003 17598.9335 0.0000 0.0000 34279.6029 -149282.7959 299.3723 -183562.3988 -149189.2793 299.3128 -49.6671 -15.5007 555495.9509 3.8616 3.9662 PRESSURE: 4500800 -162.663 78.1665 -152.115 78.1668 -25.0062 140.837 -152.116 140.836 240.728 GPRESSURE: 4500800 -49.8796 31.4296 -62.395 113.25 -40.7004 86.7721 -145.44 152.46 241.747 PRESSAVG: 4500800 -13.0166 26.9365 -12.7852 26.9366 -23.7302 1.50317 -12.7851 1.5032 41.7791 GPRESSAVG: 4500800 -12.9065 26.2959 -12.7577 30.4832 -23.6013 4.10196 -13.0694 -0.113356 41.7076 TIMING: 4500800 CPU: 13077.7, 0.00289219/step Wall: 13077.7, 0.00289219/step, 0.401051 hours remaining, 207.484375 MB of memory in use. ENERGY: 4500800 741.8094 2118.7372 1976.2551 107.4248 -206320.4001 17970.1814 0.0000 0.0000 34179.7951 -149226.1971 298.5007 -183405.9922 -149125.0514 298.8695 17.6865 50.3889 557082.4856 1.6774 1.7333 PRESSURE: 4501000 -298.495 -47.3532 9.37363 -47.3532 -28.2402 85.561 9.37343 85.56 -288.108 GPRESSURE: 4501000 -211.359 -16.6262 18.1431 -72.8429 -69.3424 74.6411 72.0607 143.163 -227.612 PRESSAVG: 4501000 -35.5098 50.5215 28.5517 50.5215 14.5795 -3.63515 28.5517 -3.63508 53.854 GPRESSAVG: 4501000 -35.9028 50.5446 27.0022 49.0896 15.3688 -5.23169 29.1551 -2.69317 53.8973 TIMING: 4501000 CPU: 13078.3, 0.00291153/step Wall: 13078.3, 0.00291153/step, 0.40357 hours remaining, 207.484375 MB of memory in use. ENERGY: 4501000 725.9153 2121.2196 1984.6520 110.5561 -205777.6489 17389.3950 0.0000 0.0000 34247.6887 -149198.2223 299.0936 -183445.9110 -149095.9215 298.8465 -204.9479 -169.4377 558300.4652 10.9746 11.1211 PRESSURE: 4501200 -186.987 -12.0712 102.451 -12.0706 -137.582 -0.895666 102.452 -0.895417 101.634 GPRESSURE: 4501200 -111.863 -25.6532 130.94 22.1379 -102.886 97.1767 63.4902 -110.894 80.7216 PRESSAVG: 4501200 -54.9531 -7.0407 80.4471 -7.04064 -22.2598 27.1938 80.4471 27.1938 41.143 GPRESSAVG: 4501200 -54.1418 -8.51746 82.4866 -5.31131 -22.2869 26.4539 79.6962 27.1535 40.6024 TIMING: 4501200 CPU: 13078.9, 0.00289309/step Wall: 13078.9, 0.00289309/step, 0.400853 hours remaining, 207.484375 MB of memory in use. ENERGY: 4501200 742.5212 2092.7292 1972.7535 119.1731 -205911.3404 17718.0410 0.0000 0.0000 34331.0147 -148935.1079 299.8213 -183266.1226 -148841.4904 299.3764 -74.3117 -44.6758 558396.3398 -12.0233 -11.9421 PRESSURE: 4501400 -314.913 -66.8585 57.9274 -66.8573 -254.889 -30.1496 57.9274 -30.1503 -16.8604 GPRESSURE: 4501400 -227.015 -16.3499 28.8702 -44.7135 -217.814 -75.5132 62.3598 25.0037 -49.9456 PRESSAVG: 4501400 50.9247 -11.4262 16.3963 -11.4261 -57.2158 -9.72432 16.3963 -9.72421 39.2589 GPRESSAVG: 4501400 49.9611 -9.73827 16.1313 -12.9554 -57.262 -9.26207 17.3915 -8.65341 40.0742 TIMING: 4501400 CPU: 13079.4, 0.00290719/step Wall: 13079.4, 0.00290719/step, 0.402646 hours remaining, 207.484375 MB of memory in use. ENERGY: 4501400 735.4853 2150.7272 1950.6560 108.5624 -205610.2932 17441.3516 0.0000 0.0000 34250.6980 -148972.8128 299.1199 -183223.5107 -148876.3335 299.7345 -195.5543 -164.9246 557895.9414 10.9893 10.9244 PRESSURE: 4501600 -145.385 57.1815 51.4138 57.1814 -299.857 60.5575 51.4136 60.5579 -312.999 GPRESSURE: 4501600 -125.793 20.1061 49.2487 52.2971 -285.283 94.216 -40.5693 -16.3611 -252.239 PRESSAVG: 4501600 18.5674 -50.6534 21.4311 -50.6534 -75.9853 -2.35969 21.4312 -2.35956 43.263 GPRESSAVG: 4501600 19.3075 -52.3687 20.6852 -50.2429 -75.8066 -1.71074 20.1417 -2.64781 42.9072 TIMING: 4501600 CPU: 13080, 0.00291414/step Wall: 13080, 0.00291414/step, 0.403446 hours remaining, 207.484375 MB of memory in use. ENERGY: 4501600 741.7147 2143.4810 1938.3654 115.2370 -205771.3325 17541.0763 0.0000 0.0000 34349.6312 -148941.8270 299.9839 -183291.4581 -148847.3230 300.0743 -252.7471 -221.1048 559519.1298 -4.7183 -4.5306 PRESSURE: 4501800 67.3785 22.1332 -144.645 22.1331 349.54 -58.4502 -144.644 -58.451 75.9261 GPRESSURE: 4501800 151.964 -42.4059 -186.608 95.788 333.802 -38.2738 -128.118 -78.577 105.881 PRESSAVG: 4501800 -28.5665 -20.2763 10.6594 -20.2762 8.30245 -38.7938 10.6595 -38.7939 48.1323 GPRESSAVG: 4501800 -28.0814 -21.4514 11.3142 -19.8519 7.55372 -36.0855 11.3869 -39.7145 48.8555 TIMING: 4501800 CPU: 13080.6, 0.0029226/step Wall: 13080.6, 0.0029226/step, 0.404456 hours remaining, 207.484375 MB of memory in use. ENERGY: 4501800 771.6540 2081.7366 1967.2587 111.3991 -206113.2607 18066.5655 0.0000 0.0000 34384.6231 -148730.0238 300.2895 -183114.6469 -148631.4244 300.2338 164.2816 197.2156 559092.7986 9.2894 9.4426 PRESSURE: 4502000 -238.83 -183.155 -134.29 -183.154 -94.75 -87.2964 -134.29 -87.2974 -9.35802 GPRESSURE: 4502000 -188.36 -149.557 -40.8238 -182.168 -16.6126 -147.12 -209.055 -52.4203 -44.5384 PRESSAVG: 4502000 -35.1879 -2.25212 -32.9905 -2.25208 75.7116 -8.67707 -32.9904 -8.67715 -10.734 GPRESSAVG: 4502000 -34.1174 0.102492 -33.9665 -0.973159 74.9734 -10.436 -33.0382 -6.53554 -10.2544 TIMING: 4502000 CPU: 13081.2, 0.0029131/step Wall: 13081.2, 0.0029131/step, 0.402979 hours remaining, 207.484375 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: 4502000 767.8430 2082.2719 1946.2802 119.7073 -206084.2533 17850.8685 0.0000 0.0000 34308.3256 -149008.9569 299.6231 -183317.2825 -148915.0845 300.0251 -114.3128 -83.1702 558495.2564 9.9299 10.2006 PRESSURE: 4502200 46.8571 -42.5238 51.7834 -42.5248 -33.5495 -122.961 51.7815 -122.961 -4.91796 GPRESSURE: 4502200 78.105 -23.7528 8.18665 -165.494 -15.2566 -33.8329 77.2153 -168.805 33.1162 PRESSAVG: 4502200 -61.3952 64.8029 45.7028 64.8028 0.999933 -60.7098 45.7027 -60.7098 24.864 GPRESSAVG: 4502200 -61.6127 64.9316 46.2317 62.5872 1.80686 -61.3238 47.0826 -63.867 24.2361 TIMING: 4502200 CPU: 13081.8, 0.00290606/step Wall: 13081.8, 0.00290606/step, 0.401843 hours remaining, 207.484375 MB of memory in use. ENERGY: 4502200 784.8203 2124.9470 1930.9938 114.1010 -205985.0196 17814.7890 0.0000 0.0000 34159.6976 -149055.6709 298.3251 -183215.3685 -148957.8366 299.7307 2.7966 31.9882 558243.5205 -11.8438 -11.8566 PRESSURE: 4502400 -132.996 24.9525 106.36 24.9519 39.009 151.915 106.36 151.915 29.0302 GPRESSURE: 4502400 -97.3007 104.903 49.3515 1.40676 44.213 151.879 108.828 241.964 71.9227 PRESSAVG: 4502400 3.84608 20.2614 16.6889 20.2615 29.3736 12.2223 16.689 12.2223 -74.3332 GPRESSAVG: 4502400 3.52716 21.5949 17.7859 20.1119 29.7786 11.8029 14.846 16.4371 -74.1016 TIMING: 4502400 CPU: 13082.4, 0.00292414/step Wall: 13082.4, 0.00292414/step, 0.404181 hours remaining, 207.484375 MB of memory in use. ENERGY: 4502400 752.4791 2121.2848 1964.2387 110.3917 -205691.6810 17667.1119 0.0000 0.0000 34163.6555 -148912.5194 298.3597 -183076.1748 -148815.3045 300.1236 -21.6523 6.2783 558680.3402 -13.7045 -13.5986 PRESSURE: 4502600 -167.06 58.7091 -87.4261 58.7093 -190.237 290.779 -87.4272 290.778 -179.805 GPRESSURE: 4502600 -153.581 49.7239 -107.486 72.8045 -151.816 272.5 -69.4003 198.114 -119.989 PRESSAVG: 4502600 43.2576 36.0456 60.181 36.0455 -25.5807 22.1491 60.1811 22.1491 -13.7183 GPRESSAVG: 4502600 42.8777 34.1958 58.6179 37.534 -25.2032 23.3085 61.3959 19.9398 -13.7633 TIMING: 4502600 CPU: 13082.9, 0.0029289/step Wall: 13082.9, 0.0029289/step, 0.404676 hours remaining, 207.484375 MB of memory in use. ENERGY: 4502600 759.0107 2109.4374 1955.6703 119.8027 -205761.4769 17633.7028 0.0000 0.0000 34168.2490 -149015.6041 298.3998 -183183.8531 -148920.9982 299.6688 -179.0340 -141.7955 557835.8400 1.3195 1.3037 PRESSURE: 4502800 129.109 30.2187 -29.0486 30.2181 97.2106 -15.8277 -29.0493 -15.8274 53.1328 GPRESSURE: 4502800 133.178 52.8577 -58.5289 90.5575 126.898 -15.4927 74.1287 26.1828 110.092 PRESSAVG: 4502800 10.616 4.85442 5.71667 4.85442 -49.1221 7.40842 5.71668 7.40841 47.7473 GPRESSAVG: 4502800 11.6987 5.87307 6.65233 4.48898 -51.3025 7.79799 4.9475 5.65833 48.4572 TIMING: 4502800 CPU: 13083.5, 0.00291671/step Wall: 13083.5, 0.00291671/step, 0.40283 hours remaining, 207.484375 MB of memory in use. ENERGY: 4502800 727.5074 2159.6656 1938.4132 105.9737 -206300.9393 17928.2710 0.0000 0.0000 34280.8622 -149160.2461 299.3833 -183441.1083 -149062.9347 300.4772 93.1507 123.3891 555217.5133 3.0804 2.9511 PRESSURE: 4503000 -24.9953 -126.487 -76.895 -126.486 364.086 -38.1478 -76.8935 -38.1479 72.8338 GPRESSURE: 4503000 -4.6456 -72.7303 -78.0054 -83.0983 343.864 -35.2661 -126.39 -57.6639 161.757 PRESSAVG: 4503000 -17.4838 0.0814897 37.8635 0.0815342 36.2266 -19.8176 37.8635 -19.8178 13.1506 GPRESSAVG: 4503000 -19.7618 -0.779852 38.2412 -1.57812 38.0928 -21.0902 38.1467 -18.1608 13.2012 TIMING: 4503000 CPU: 13084.1, 0.00289272/step Wall: 13084.1, 0.00289272/step, 0.399356 hours remaining, 207.484375 MB of memory in use. ENERGY: 4503000 739.8007 2036.8850 1935.9795 108.3805 -206179.8867 17973.0439 0.0000 0.0000 34231.4907 -149154.3064 298.9521 -183385.7970 -149055.0886 300.1634 137.3081 166.9917 556203.9630 10.6311 10.5107 PRESSURE: 4503200 -99.9677 -85.0855 -55.3707 -85.0853 -33.647 -21.7999 -55.3697 -21.7985 112.808 GPRESSURE: 4503200 -67.6691 -67.587 -17.8885 -151.601 5.06683 41.6966 -71.307 -29.9568 141.238 PRESSAVG: 4503200 -58.2048 -37.5073 -7.31799 -37.5073 -3.24942 21.3058 -7.31804 21.3058 35.5392 GPRESSAVG: 4503200 -56.8841 -38.6675 -7.28025 -36.2314 -4.47943 23.7166 -7.95409 18.7151 35.8577 TIMING: 4503200 CPU: 13084.7, 0.00288865/step Wall: 13084.7, 0.00288865/step, 0.398633 hours remaining, 207.484375 MB of memory in use. ENERGY: 4503200 746.9099 2048.5216 1943.6508 114.3161 -206441.3209 18054.9233 0.0000 0.0000 34531.4868 -149001.5124 301.5721 -183532.9992 -148903.7649 299.4191 -6.9354 26.2120 557114.7089 -8.6383 -8.5019 PRESSURE: 4503400 12.6505 4.73004 -122.852 4.72918 -92.9458 -19.4749 -122.852 -19.4753 -162.203 GPRESSURE: 4503400 77.3604 -30.1893 -52.0832 25.9291 -32.1715 -71.5365 -115.594 -24.1673 -180.628 PRESSAVG: 4503400 -13.9762 -65.4627 -56.8097 -65.4626 4.76385 -34.987 -56.8097 -34.9871 40.0821 GPRESSAVG: 4503400 -13.0997 -65.4974 -55.9264 -64.4969 5.90231 -36.8638 -55.8765 -33.0497 38.4971 TIMING: 4503400 CPU: 13085.3, 0.00290605/step Wall: 13085.3, 0.00290605/step, 0.400874 hours remaining, 207.484375 MB of memory in use. ENERGY: 4503400 749.5873 2084.7048 1955.0329 109.5935 -205680.3528 17654.7358 0.0000 0.0000 34162.2862 -148964.4123 298.3477 -183126.6985 -148873.9857 300.3565 -80.8327 -45.1465 558851.8541 10.2899 10.4332 PRESSURE: 4503600 -273.802 -37.2201 -27.7197 -37.2199 -149.966 -71.994 -27.7187 -71.9966 -124.857 GPRESSURE: 4503600 -270.435 -76.2947 42.3025 10.5998 -123.418 -66.5434 -81.5032 -116.015 -57.064 PRESSAVG: 4503600 30.705 13.6752 -60.4095 13.6752 -28.5083 36.2061 -60.4095 36.2062 -2.07867 GPRESSAVG: 4503600 29.8618 14.535 -61.3332 14.3541 -28.3938 38.1803 -60.3915 34.9615 -1.31209 TIMING: 4503600 CPU: 13085.8, 0.00288856/step Wall: 13085.8, 0.00288856/step, 0.3983 hours remaining, 207.484375 MB of memory in use. ENERGY: 4503600 712.5838 2061.4106 1958.1119 120.3645 -205785.8951 17554.8985 0.0000 0.0000 34341.6369 -149036.8888 299.9141 -183378.5257 -148938.1883 299.5922 -182.8750 -150.3054 558442.8907 0.0394 0.0520 PRESSURE: 4503800 -190.197 -32.8802 142.297 -32.8802 -26.6967 -24.5629 142.297 -24.5626 -201.712 GPRESSURE: 4503800 -123.436 -53.9599 135.05 -55.1896 12.2173 11.183 76.3105 -60.7449 -213.377 PRESSAVG: 4503800 54.8964 -14.2926 13.4312 -14.2926 -8.92289 -31.5714 13.4313 -31.5715 -15.7038 GPRESSAVG: 4503800 56.4043 -14.3832 14.2919 -16.7652 -9.96948 -34.0898 12.3117 -31.177 -15.8231 TIMING: 4503800 CPU: 13086.4, 0.00288778/step Wall: 13086.4, 0.00288778/step, 0.398033 hours remaining, 207.746094 MB of memory in use. ENERGY: 4503800 723.8725 2010.0485 1966.1884 120.9071 -205991.4067 17617.5430 0.0000 0.0000 34443.6976 -149109.1497 300.8054 -183552.8473 -149014.7772 300.2253 -139.5353 -108.1985 558366.5073 10.0899 10.2039 PRESSURE: 4504000 -211.139 107.143 -48.6199 107.143 -65.0508 90.1018 -48.6199 90.0998 -81.2491 GPRESSURE: 4504000 -200.477 34.5588 -44.1301 132.724 -24.661 143.643 -32.0788 105.755 -41.9394 PRESSAVG: 4504000 -72.8954 -26.9076 38.9725 -26.9075 90.4379 3.75795 38.9724 3.75794 -67.4136 GPRESSAVG: 4504000 -72.4739 -26.0035 38.7018 -26.5009 89.6932 5.87411 39.2024 4.12393 -67.7049 TIMING: 4504000 CPU: 13087, 0.00290224/step Wall: 13087, 0.00290224/step, 0.399864 hours remaining, 207.746094 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 736.8069 2082.3817 1957.2125 109.6433 -205635.3484 17539.6190 0.0000 0.0000 34039.9057 -149169.7793 297.2790 -183209.6850 -149069.0608 299.4194 -119.1463 -89.0258 559013.3235 -16.6237 -16.8285 PRESSURE: 4504200 -127.108 69.7914 -35.4445 69.7915 99.3874 -11.4222 -35.4461 -11.422 55.1793 GPRESSURE: 4504200 -106.706 57.6828 -13.8581 95.3696 90.3569 -82.7145 -58.7554 -33.7964 127.597 PRESSAVG: 4504200 -23.893 2.05509 -36.0231 2.05513 16.8942 -16.3771 -36.023 -16.3772 40.3648 GPRESSAVG: 4504200 -25.1748 0.52263 -37.3079 4.18687 18.7973 -17.1212 -35.1426 -16.2204 39.1073 TIMING: 4504200 CPU: 13087.6, 0.00290693/step Wall: 13087.6, 0.00290693/step, 0.400349 hours remaining, 207.746094 MB of memory in use. ENERGY: 4504200 715.8321 2078.6579 1984.4327 128.1574 -206512.8406 17886.6440 0.0000 0.0000 34477.0247 -149242.0919 301.0964 -183719.1165 -149146.5983 299.1674 9.1531 37.0826 558120.5162 11.1220 10.9099 LDB: ============= START OF LOAD BALANCING ============== 13091 LDB: ============== END OF LOAD BALANCING =============== 13091 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13091 LDB: ============= START OF LOAD BALANCING ============== 13091.3 LDB: Largest compute 4848 load 0.028576 is 24.3% of average load 0.117819 LDB: Average compute 0.001733 is 1.5% of average load 0.117819 LDB: TIME 13091.3 LOAD: AVG 0.117819 MAX 0.182185 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 13091.3 LOAD: AVG 0.117819 MAX 0.182185 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: TIME 13091.3 LOAD: AVG 0.117819 MAX 0.182185 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: ============== END OF LOAD BALANCING =============== 13091.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13091.3 PRESSURE: 4504400 -47.0694 -78.8081 146.154 -78.8077 -222.455 -127.359 146.154 -127.357 -82.2012 GPRESSURE: 4504400 -118.195 -147.45 115.181 -117.988 -170.255 -174.613 115.035 -111.475 43.2949 PRESSAVG: 4504400 -30.5298 31.876 -42.2155 31.876 24.9648 30.8486 -42.2154 30.8487 53.5338 GPRESSAVG: 4504400 -30.8949 32.1489 -41.0602 30.3212 24.8535 31.392 -42.0521 30.2216 54.4203 TIMING: 4504400 CPU: 13088.2, 0.00295483/step Wall: 13088.2, 0.00295483/step, 0.406781 hours remaining, 205.835938 MB of memory in use. ENERGY: 4504400 755.7113 2022.5128 1955.2323 113.7771 -206353.4244 17915.0022 0.0000 0.0000 34239.7067 -149351.4820 299.0239 -183591.1887 -149251.7419 298.9656 -117.2418 -81.7184 557787.2682 15.9896 16.1263 PRESSURE: 4504600 -316.419 32.5825 -37.5147 32.5821 -42.0502 129.222 -37.5156 129.221 85.417 GPRESSURE: 4504600 -198.294 110.918 36.1877 51.1266 -32.384 134.29 -78.0845 110.387 44.3096 PRESSAVG: 4504600 -11.1829 -15.5255 5.50182 -15.5255 -10.6575 87.2331 5.50183 87.2331 -6.96525 GPRESSAVG: 4504600 -10.2051 -14.6253 3.28417 -15.0453 -11.4595 87.5661 4.93959 88.6376 -7.09479 TIMING: 4504600 CPU: 13088.7, 0.00290801/step Wall: 13088.7, 0.00290801/step, 0.400174 hours remaining, 206.093750 MB of memory in use. ENERGY: 4504600 743.0893 2117.9190 1946.6047 101.3215 -206293.9633 17894.7493 0.0000 0.0000 34016.0014 -149474.2781 297.0702 -183490.2795 -149382.1837 298.5130 -91.0174 -62.1227 558592.2801 -9.6019 -9.5865 PRESSURE: 4504800 -259.044 15.0276 -6.07214 15.0264 67.7594 -43.4563 -6.07296 -43.4561 187.687 GPRESSURE: 4504800 -121.638 -46.2678 8.3087 -19.6065 126.011 -76.1167 27.3203 -34.7024 108.026 PRESSAVG: 4504800 6.01081 56.858 20.5166 56.858 -7.26982 35.4682 20.5168 35.4681 13.3524 GPRESSAVG: 4504800 6.85853 55.9149 21.134 57.725 -7.57985 35.9855 20.7058 35.327 12.6256 TIMING: 4504800 CPU: 13089.3, 0.00292055/step Wall: 13089.3, 0.00292055/step, 0.401738 hours remaining, 206.093750 MB of memory in use. ENERGY: 4504800 761.3762 2027.7119 1935.8413 115.0386 -206573.8978 18009.5993 0.0000 0.0000 34154.5846 -149569.7458 298.2805 -183724.3304 -149474.6893 298.0281 -1.1990 37.4664 558393.1434 4.0311 3.9681 PRESSURE: 4505000 151.702 32.9883 34.0398 32.9896 116.137 -25.522 34.0387 -25.5219 284.841 GPRESSURE: 4505000 221.899 -25.9602 127.041 120.812 103.289 -40.8253 -72.1435 -67.6384 316.572 PRESSAVG: 4505000 5.36888 -2.92517 -23.4376 -2.92518 -26.4293 -62.5505 -23.4375 -62.5505 26.8608 GPRESSAVG: 4505000 5.64938 -2.41384 -22.3489 -3.09628 -26.5947 -63.3857 -23.3235 -62.5055 26.3512 TIMING: 4505000 CPU: 13089.9, 0.00290953/step Wall: 13089.9, 0.00290953/step, 0.40006 hours remaining, 206.093750 MB of memory in use. ENERGY: 4505000 752.7333 2103.5266 1957.2574 92.8157 -206780.1284 18164.8250 0.0000 0.0000 34279.6140 -149429.3565 299.3724 -183708.9705 -149332.0000 298.1984 184.2267 213.9199 557669.9943 1.9334 1.8020 PRESSURE: 4505200 -215.369 8.33052 17.9807 8.33047 -240.373 70.0333 17.9808 70.0325 -36.4402 GPRESSURE: 4505200 -196.381 -9.63942 47.504 12.7711 -148.671 98.7985 -5.6893 52.7634 -53.5897 PRESSAVG: 4505200 -10.2935 35.8766 -24.1181 35.8766 42.7519 -39.5195 -24.1182 -39.5196 -13.8083 GPRESSAVG: 4505200 -11.747 35.7739 -24.2663 34.7815 43.3941 -39.733 -26.1995 -39.9536 -13.1602 TIMING: 4505200 CPU: 13090.5, 0.00289945/step Wall: 13090.5, 0.00289945/step, 0.398513 hours remaining, 206.093750 MB of memory in use. ENERGY: 4505200 764.7335 2071.3729 1972.8252 118.6591 -206143.2498 17756.3666 0.0000 0.0000 34105.3266 -149353.9659 297.8503 -183459.2925 -149261.2554 298.7848 -164.0607 -132.8806 557847.5550 6.2167 6.1623 PRESSURE: 4505400 51.7291 71.9894 -19.4082 71.99 45.3763 187.919 -19.4085 187.92 62.4369 GPRESSURE: 4505400 100.394 -16.3187 -20.9408 60.8218 35.6664 152.629 38.8485 172.174 126.296 PRESSAVG: 4505400 38.6713 60.3323 -19.4143 60.3324 -39.5107 -40.8316 -19.4142 -40.8315 29.2192 GPRESSAVG: 4505400 39.531 62.0059 -19.3256 58.9082 -39.7136 -41.1973 -18.0579 -41.229 28.6143 TIMING: 4505400 CPU: 13091.1, 0.00290141/step Wall: 13091.1, 0.00290141/step, 0.398621 hours remaining, 206.093750 MB of memory in use. ENERGY: 4505400 742.5282 2044.4804 1980.5348 113.1697 -206234.0158 17855.5229 0.0000 0.0000 34285.1745 -149212.6053 299.4210 -183497.7798 -149112.3023 299.0794 53.1808 87.4520 556760.8620 9.4599 9.4772 PRESSURE: 4505600 -29.152 -83.9275 106.057 -83.9276 -174.047 -36.0538 106.058 -36.0528 -173.863 GPRESSURE: 4505600 -42.606 -91.3101 115.69 -89.1794 -132.117 -16.4495 73.4554 38.312 -104.062 PRESSAVG: 4505600 -0.236522 49.8825 -34.3135 49.8826 -7.47352 -29.6445 -34.3134 -29.6446 17.6544 GPRESSAVG: 4505600 -1.21517 47.9589 -36.2581 52.3528 -7.50636 -29.1457 -33.7124 -28.6666 18.6697 TIMING: 4505600 CPU: 13091.7, 0.00292683/step Wall: 13091.7, 0.00292683/step, 0.401951 hours remaining, 206.093750 MB of memory in use. ENERGY: 4505600 766.8165 2112.7190 1985.0543 113.0431 -206359.8276 17651.1230 0.0000 0.0000 34539.1269 -149191.9448 301.6388 -183731.0717 -149089.9904 300.2031 -125.6872 -92.9284 557407.4633 3.3148 3.3161 PRESSURE: 4505800 143.943 26.1553 -27.8591 26.1552 -117.451 -70.9368 -27.8567 -70.9365 129.708 GPRESSURE: 4505800 164.189 7.88877 58.0477 73.3035 -83.0158 -88.442 -88.6783 -2.31589 168.208 PRESSAVG: 4505800 -16.3594 -10.7672 4.04883 -10.7672 -77.1541 10.3874 4.04885 10.3873 82.5647 GPRESSAVG: 4505800 -16.4999 -11.5717 5.46708 -10.7263 -77.7154 8.72966 2.63674 11.7054 83.5452 TIMING: 4505800 CPU: 13092.2, 0.00290706/step Wall: 13092.2, 0.00290706/step, 0.399075 hours remaining, 206.093750 MB of memory in use. ENERGY: 4505800 738.8662 2098.3411 1956.0183 122.9303 -206249.0043 17970.2140 0.0000 0.0000 34212.5811 -149150.0533 298.7870 -183362.6344 -149053.0477 299.7715 52.0668 83.1270 558425.5827 -3.6496 -3.5567 PRESSURE: 4506000 -303 -161.801 -0.613642 -161.801 -93.6943 86.9463 -0.614422 86.9465 42.2864 GPRESSURE: 4506000 -196.221 -143.337 -7.75341 -210.734 -84.7673 104.921 4.41319 76.6703 35.9253 PRESSAVG: 4506000 -9.83989 -15.0376 -19.6289 -15.0377 12.1783 -43.822 -19.6289 -43.8221 36.4548 GPRESSAVG: 4506000 -8.9387 -11.3807 -17.9709 -16.8948 12.4552 -42.8063 -20.5375 -46.1737 35.4439 TIMING: 4506000 CPU: 13092.8, 0.00289965/step Wall: 13092.8, 0.00289965/step, 0.397896 hours remaining, 206.093750 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: 4506000 743.6501 2116.5764 1985.9524 130.0189 -206061.5752 17745.4485 0.0000 0.0000 34273.8227 -149066.1064 299.3218 -183339.9290 -148969.5491 298.8996 -118.1359 -81.6877 559561.8614 12.9311 12.9868 PRESSURE: 4506200 -118.609 -89.5059 -103.467 -89.5057 -69.0921 143.64 -103.467 143.64 239.596 GPRESSURE: 4506200 -160.222 -26.6944 -83.0914 -147.169 29.4163 121.688 -150.449 170.899 272.848 PRESSAVG: 4506200 -8.64273 -3.62057 -65.5053 -3.62049 9.37163 25.0858 -65.5053 25.0856 -20.2128 GPRESSAVG: 4506200 -9.42953 -7.18794 -67.4435 -1.81972 10.1805 24.7838 -62.8763 26.6966 -20.2913 TIMING: 4506200 CPU: 13093.4, 0.00289085/step Wall: 13093.4, 0.00289085/step, 0.396528 hours remaining, 206.093750 MB of memory in use. ENERGY: 4506200 744.0579 2071.9012 1949.8353 113.6189 -206123.5981 17830.3866 0.0000 0.0000 34367.3443 -149046.4539 300.1386 -183413.7982 -148947.5010 300.0585 17.2983 47.3474 558391.8473 -6.4946 -6.5134 PRESSURE: 4506400 -177.065 -124.34 65.8083 -124.341 82.056 44.0639 65.8088 44.063 -95.7139 GPRESSURE: 4506400 -15.8581 -152.416 20.196 -131.37 -4.32437 8.84903 48.8683 75.9046 -83.2398 PRESSAVG: 4506400 -1.90245 -37.1449 28.347 -37.1449 -28.3707 -34.567 28.3469 -34.567 29.479 GPRESSAVG: 4506400 -1.75405 -36.3432 30.798 -38.1696 -28.6252 -34.708 25.2355 -35.8768 29.7993 TIMING: 4506400 CPU: 13094, 0.00290697/step Wall: 13094, 0.00290697/step, 0.398578 hours remaining, 206.093750 MB of memory in use. ENERGY: 4506400 742.4911 2113.9674 1960.5775 103.8181 -206142.8815 17831.4642 0.0000 0.0000 34424.9587 -148965.6046 300.6417 -183390.5633 -148862.0482 300.1767 -63.5744 -34.4741 557336.7276 -0.2647 -0.1933 PRESSURE: 4506600 -105.109 -144.376 -86.5262 -144.376 25.3493 45.6939 -86.5269 45.6942 194.908 GPRESSURE: 4506600 -67.6764 -197.62 -143.094 -122.576 74.059 32.6933 -24.5957 71.618 198.547 PRESSAVG: 4506600 -58.4388 0.859008 0.38739 0.85911 17.5035 -36.9116 0.387346 -36.9117 20.2433 GPRESSAVG: 4506600 -59.2818 2.91046 -1.47127 0.271232 17.9135 -37.7413 1.06434 -36.3506 20.9715 TIMING: 4506600 CPU: 13094.6, 0.0028997/step Wall: 13094.6, 0.0028997/step, 0.39742 hours remaining, 206.093750 MB of memory in use. ENERGY: 4506600 756.0343 2125.0638 1953.2802 108.3501 -206297.6232 17987.0217 0.0000 0.0000 34310.8863 -149056.9868 299.6455 -183367.8731 -148960.6242 299.9561 38.3826 68.3100 557607.1193 -6.8973 -6.7989 PRESSURE: 4506800 -139.378 52.1117 -89.2721 52.1114 93.0577 21.9011 -89.2701 21.9006 290.085 GPRESSURE: 4506800 -71.8448 73.7368 -74.6231 52.9984 108.669 -74.3197 -50.1241 15.3558 304.687 PRESSAVG: 4506800 -91.2036 -31.9691 -6.47263 -31.9692 30.0759 7.14397 -6.47261 7.14381 41.6773 GPRESSAVG: 4506800 -90.8357 -33.9732 -6.13814 -32.6814 30.7163 7.426 -5.23263 6.65211 40.3617 TIMING: 4506800 CPU: 13095.1, 0.00289377/step Wall: 13095.1, 0.00289377/step, 0.396446 hours remaining, 206.093750 MB of memory in use. ENERGY: 4506800 756.2691 2079.1432 1968.4732 121.5089 -206467.6598 18178.2680 0.0000 0.0000 34291.1205 -149072.8771 299.4729 -183363.9975 -148975.4352 299.7209 81.2548 113.8373 557334.0414 -6.4834 -6.5859 PRESSURE: 4507000 21.988 29.2575 69.3212 29.2572 234.645 17.9484 69.3215 17.9488 -15.9019 GPRESSURE: 4507000 20.1769 -41.0721 80.0157 -0.0767709 295.025 47.0055 93.5167 -66.6884 20.1969 PRESSAVG: 4507000 -53.4929 -62.7077 -19.5343 -62.7077 34.7187 96.0708 -19.5343 96.0707 37.4348 GPRESSAVG: 4507000 -53.0658 -61.8151 -20.9441 -62.3117 33.6737 96.0823 -19.4791 95.7458 37.9866 TIMING: 4507000 CPU: 13095.7, 0.00289596/step Wall: 13095.7, 0.00289596/step, 0.396586 hours remaining, 206.093750 MB of memory in use. ENERGY: 4507000 747.9982 2125.2833 1954.7860 122.0431 -206187.1899 17715.5669 0.0000 0.0000 34479.1703 -149042.3421 301.1152 -183521.5124 -148947.0091 300.1863 80.2436 111.7997 555690.4527 6.2202 6.1982 PRESSURE: 4507200 -203.62 46.6037 183.604 46.6039 -187.666 32.2253 183.603 32.2255 -53.5686 GPRESSURE: 4507200 -198.505 68.5434 199.972 83.3845 -135.599 22.9173 63.7742 46.2379 -23.9854 PRESSAVG: 4507200 36.6003 -33.3527 37.2009 -33.3526 -48.8125 13.1841 37.2011 13.1841 14.5345 GPRESSAVG: 4507200 35.371 -34.6168 37.5229 -30.8708 -48.1476 11.5641 36.6419 17.591 15.0718 TIMING: 4507200 CPU: 13096.3, 0.00289878/step Wall: 13096.3, 0.00289878/step, 0.396811 hours remaining, 206.093750 MB of memory in use. ENERGY: 4507200 771.3934 2124.7841 1954.2777 115.4524 -206028.3359 17525.5264 0.0000 0.0000 34493.2537 -149043.6482 301.2382 -183536.9019 -148941.0059 300.5032 -148.2850 -119.3632 557188.6905 0.7741 0.7651 PRESSURE: 4507400 -149.864 -142.057 179.812 -142.056 -162.751 5.30666 179.812 5.30611 -25.8124 GPRESSURE: 4507400 -154.972 -225.357 192.548 -93.8568 -106.779 16.5881 142.366 -41.1773 27.8116 PRESSAVG: 4507400 16.7446 -15.4293 32.8524 -15.4293 46.9494 1.97635 32.8525 1.97633 15.9467 GPRESSAVG: 4507400 18.6522 -15.6541 32.7551 -16.1731 45.0674 3.55308 33.2048 -1.14024 15.6916 TIMING: 4507400 CPU: 13096.9, 0.00287945/step Wall: 13096.9, 0.00287945/step, 0.394004 hours remaining, 206.164062 MB of memory in use. ENERGY: 4507400 779.2580 2130.6526 1952.4916 120.3017 -206038.9852 17478.7945 0.0000 0.0000 34476.5537 -149100.9331 301.0923 -183577.4869 -149002.8802 300.2665 -112.8090 -77.9798 554499.2300 26.5469 26.4704 PRESSURE: 4507600 -53.9927 -108.679 -95.8314 -108.679 -62.3514 24.1585 -95.8315 24.158 -74.7856 GPRESSURE: 4507600 -93.5834 -71.5836 -105.354 -132.957 5.90091 88.2954 -168.24 -86.8062 -10.142 PRESSAVG: 4507600 16.8223 -33.1014 9.36519 -33.1013 -39.5591 -69.9184 9.36515 -69.9183 -28.9285 GPRESSAVG: 4507600 15.043 -33.8768 9.61183 -33.432 -37.6291 -68.8859 10.1929 -69.2249 -29.4421 TIMING: 4507600 CPU: 13097.5, 0.00288899/step Wall: 13097.5, 0.00288899/step, 0.395149 hours remaining, 206.164062 MB of memory in use. ENERGY: 4507600 750.4584 2104.0440 1945.6693 117.0731 -205796.6915 17741.9805 0.0000 0.0000 34186.2375 -148951.2286 298.5569 -183137.4661 -148855.3096 300.6298 -63.7099 -32.6082 558020.1920 -17.2218 -17.3427 PRESSURE: 4507800 120.731 133.564 -5.22011 133.565 -45.2391 -137.478 -5.2213 -137.476 -2.50977 GPRESSURE: 4507800 147.405 195.48 -12.0916 115.228 -0.921913 -120.923 54.0296 -103.618 16.1561 PRESSAVG: 4507800 -30.4442 -8.40656 10.3534 -8.40653 67.8753 -20.9563 10.3534 -20.9564 -40.9653 GPRESSAVG: 4507800 -29.9839 -7.90795 10.7262 -7.70879 65.9726 -20.5912 10.2428 -24.7265 -39.4577 TIMING: 4507800 CPU: 13098, 0.00290845/step Wall: 13098, 0.00290845/step, 0.39765 hours remaining, 206.164062 MB of memory in use. ENERGY: 4507800 767.7087 2079.7782 1995.8091 106.3528 -206140.7595 17883.1386 0.0000 0.0000 34222.3284 -149085.6437 298.8721 -183307.9721 -148992.8129 299.8569 24.3274 54.2129 556586.4386 -1.1781 -1.1563 PRESSURE: 4508000 -172.702 107.997 24.6168 107.999 -44.718 -76.9151 24.617 -76.9147 254.62 GPRESSURE: 4508000 -146.487 69.3634 54.605 96.2812 23.7506 -110.137 84.3898 -55.9272 257.366 PRESSAVG: 4508000 -45.3768 -8.62327 15.5422 -8.62333 -7.31331 -32.4223 15.5422 -32.4222 63.8873 GPRESSAVG: 4508000 -44.6056 -7.56018 16.6952 -10.6907 -7.04925 -32.8743 14.0469 -30.9847 63.0499 TIMING: 4508000 CPU: 13098.6, 0.00290033/step Wall: 13098.6, 0.00290033/step, 0.396379 hours remaining, 206.164062 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: 4508000 754.5895 2119.6477 1951.9965 98.4940 -205987.1310 17772.1079 0.0000 0.0000 34284.4619 -149005.8336 299.4147 -183290.2955 -148907.3869 299.8906 12.3999 44.8763 556972.3367 3.7324 3.7984 PRESSURE: 4508200 -176.956 -8.67719 -42.6177 -8.67791 -46.8915 -103.212 -42.6182 -103.214 -7.80446 GPRESSURE: 4508200 -97.2802 30.2325 -10.8152 -16.0071 -70.1123 -134.356 -82.535 -121.589 29.9246 PRESSAVG: 4508200 -133.862 -37.1931 10.9171 -37.193 60.8112 -6.21194 10.917 -6.21199 71.7927 GPRESSAVG: 4508200 -133.128 -37.2034 11.16 -34.6309 60.7132 -7.13819 9.45564 -6.02286 71.4612 TIMING: 4508200 CPU: 13099.2, 0.0029129/step Wall: 13099.2, 0.0029129/step, 0.397935 hours remaining, 206.164062 MB of memory in use. ENERGY: 4508200 757.1239 2084.7810 1956.9191 117.4293 -205797.3629 17624.8284 0.0000 0.0000 34115.7953 -149140.4860 297.9417 -183256.2813 -149042.3857 299.4760 -77.2174 -45.8226 556691.2511 -0.4194 -0.3178 LDB: ============= START OF LOAD BALANCING ============== 13102.7 LDB: ============== END OF LOAD BALANCING =============== 13102.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13102.7 LDB: ============= START OF LOAD BALANCING ============== 13103 LDB: Largest compute 4848 load 0.028143 is 23.9% of average load 0.117751 LDB: Average compute 0.001735 is 1.5% of average load 0.117751 LDB: TIME 13103 LOAD: AVG 0.117751 MAX 0.181679 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 13103 LOAD: AVG 0.117751 MAX 0.181679 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.52 MB LDB: TIME 13103 LOAD: AVG 0.117751 MAX 0.181679 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13103 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13103 PRESSURE: 4508400 -81.2259 -20.8822 -200.813 -20.8821 8.69821 -33.3896 -200.814 -33.3883 -208.955 GPRESSURE: 4508400 -100.551 11.5579 -158.712 -55.2918 44.9995 -102.082 -249.847 28.8977 -122.512 PRESSAVG: 4508400 1.28995 28.0979 -12.1738 28.098 -16.9056 -77.9314 -12.1739 -77.9314 17.9431 GPRESSAVG: 4508400 0.474813 28.6171 -12.1354 24.7205 -15.5396 -77.471 -9.90139 -77.7738 17.7465 TIMING: 4508400 CPU: 13099.8, 0.00297479/step Wall: 13099.8, 0.00297479/step, 0.406224 hours remaining, 207.554688 MB of memory in use. ENERGY: 4508400 745.5349 2116.2519 1936.9515 119.2006 -205547.8773 17476.9243 0.0000 0.0000 34185.3443 -148967.6697 298.5491 -183153.0141 -148878.4131 299.7361 -93.8274 -59.3544 557241.6478 0.7758 0.8939 PRESSURE: 4508600 150.053 43.2405 38.3925 43.2401 44.5066 -247.247 38.3917 -247.248 18.9381 GPRESSURE: 4508600 190.034 73.1667 14.4924 31.3462 23.1397 -246.676 67.6549 -200.561 107.719 PRESSAVG: 4508600 -30.3952 26.6124 -47.6307 26.6125 -5.37636 -71.4583 -47.6307 -71.4584 18.4619 GPRESSAVG: 4508600 -28.6919 26.0678 -50.0972 29.049 -6.34106 -71.0628 -48.8516 -72.3266 17.9007 TIMING: 4508600 CPU: 13100.4, 0.00291583/step Wall: 13100.4, 0.00291583/step, 0.398011 hours remaining, 207.566406 MB of memory in use. ENERGY: 4508600 780.7546 2124.8831 1940.0130 115.3936 -206251.8517 18031.1458 0.0000 0.0000 34422.9304 -148836.7313 300.6240 -183259.6617 -148739.6346 299.9021 71.1660 106.9643 558111.3009 -5.7699 -5.7107 PRESSURE: 4508800 352.808 -49.7258 -54.7333 -49.7261 202.749 96.607 -54.7334 96.605 100.041 GPRESSURE: 4508800 340.825 -101.74 -47.3846 -95.7136 259.201 141.673 -85.0994 111.68 141.845 PRESSAVG: 4508800 48.1475 20.7547 51.3445 20.7547 -39.396 -23.0932 51.3444 -23.0932 23.6557 GPRESSAVG: 4508800 47.1863 21.2014 53.2498 19.3078 -38.7012 -23.7004 51.8793 -22.2249 24.5937 TIMING: 4508800 CPU: 13101, 0.00293613/step Wall: 13101, 0.00293613/step, 0.400618 hours remaining, 207.566406 MB of memory in use. ENERGY: 4508800 793.7688 2093.3278 1981.2161 118.5507 -206239.8561 18107.0362 0.0000 0.0000 34342.5467 -148803.4099 299.9220 -183145.9565 -148710.7770 300.6336 218.5326 247.2900 558029.3119 10.8024 11.0262 PRESSURE: 4509000 -40.1109 67.955 -135.865 67.9548 206.668 -109.882 -135.865 -109.882 -34.0708 GPRESSURE: 4509000 -25.2459 -57.5398 -70.3495 80.1349 248.96 8.87405 -131.095 -224.649 -3.7249 PRESSAVG: 4509000 -54.3318 -19.4477 45.9536 -19.4477 12.3706 -34.944 45.9536 -34.944 22.7591 GPRESSAVG: 4509000 -55.0049 -19.0341 44.8656 -20.069 12.9313 -33.7929 46.0308 -36.3227 22.9305 TIMING: 4509000 CPU: 13101.5, 0.00291335/step Wall: 13101.5, 0.00291335/step, 0.397348 hours remaining, 207.566406 MB of memory in use. ENERGY: 4509000 751.3163 2098.2460 1944.3863 118.2576 -205847.3065 17872.8636 0.0000 0.0000 34162.8612 -148899.3755 298.3528 -183062.2366 -148805.1490 300.4731 44.1620 73.3297 559003.2937 -6.4007 -6.3811 PRESSURE: 4509200 -115.68 25.1926 201.404 25.1913 -91.5935 -24.859 201.402 -24.8592 -176.699 GPRESSURE: 4509200 -22.0998 41.2007 195.975 32.1589 -51.3012 8.20337 202.92 2.61321 -199.614 PRESSAVG: 4509200 -16.4876 11.579 13.2161 11.579 46.992 -29.2106 13.216 -29.2105 -25.5315 GPRESSAVG: 4509200 -15.2606 12.6009 13.528 12.0976 46.8262 -29.8473 13.2227 -28.3054 -25.8056 TIMING: 4509200 CPU: 13102.1, 0.0029079/step Wall: 13102.1, 0.0029079/step, 0.396443 hours remaining, 207.617188 MB of memory in use. ENERGY: 4509200 780.4634 2116.8881 1950.4050 120.0014 -205943.3588 17783.1438 0.0000 0.0000 34230.4711 -148961.9860 298.9432 -183192.4571 -148859.5692 300.1078 -127.9907 -91.0050 559738.3371 1.6577 1.9200 PRESSURE: 4509400 -294.158 100.156 -122.558 100.157 -150.89 -7.26486 -122.559 -7.26494 -76.6302 GPRESSURE: 4509400 -220.923 93.148 -87.1351 125.122 -145.426 36.9983 -83.6119 -57.4464 -48.5231 PRESSAVG: 4509400 24.1398 12.9016 6.76564 12.9016 31.8538 -16.7957 6.76555 -16.7956 -22.717 GPRESSAVG: 4509400 22.5892 9.76804 7.76746 14.2696 32.899 -16.4298 5.2928 -17.5774 -21.9553 TIMING: 4509400 CPU: 13102.7, 0.00290183/step Wall: 13102.7, 0.00290183/step, 0.395456 hours remaining, 207.617188 MB of memory in use. ENERGY: 4509400 796.5030 2097.1710 1957.7065 111.1949 -205701.2473 17518.0542 0.0000 0.0000 34272.0596 -148948.5581 299.3064 -183220.6176 -148850.9406 300.0446 -173.8926 -138.2907 558735.3065 11.0922 11.1776 PRESSURE: 4509600 -21.1195 258.356 57.9957 258.355 18.1778 27.4285 57.9962 27.4299 161.19 GPRESSURE: 4509600 3.68355 244.868 61.8647 292.437 5.37576 3.48969 93.4831 25.4821 228.736 PRESSAVG: 4509600 -49.6625 19.4105 -4.50393 19.4105 4.70411 -21.3703 -4.50398 -21.3702 41.0054 GPRESSAVG: 4509600 -48.0572 19.9969 -7.08892 18.7749 3.08093 -23.4447 -2.54215 -19.7294 40.9626 TIMING: 4509600 CPU: 13103.3, 0.00289316/step Wall: 13103.3, 0.00289315/step, 0.394112 hours remaining, 207.617188 MB of memory in use. ENERGY: 4509600 769.8964 2036.6572 1975.7789 104.5336 -205975.9561 17796.6450 0.0000 0.0000 34388.4250 -148904.0200 300.3227 -183292.4450 -148801.8726 299.7100 52.7495 79.2650 558923.8289 -1.3177 -1.3379 PRESSURE: 4509800 109.072 19.0728 -94.769 19.0723 3.3776 -126.511 -94.7689 -126.51 8.76733 GPRESSURE: 4509800 148.967 32.6743 -69.4162 -22.2124 31.9668 -146.922 -77.7217 -169.011 30.9702 PRESSAVG: 4509800 -49.229 64.5799 15.2031 64.5799 -41.4568 -29.6289 15.2032 -29.6289 30.4428 GPRESSAVG: 4509800 -49.8458 65.6445 17.1177 64.9612 -41.5532 -26.8655 14.3883 -31.5562 30.8082 TIMING: 4509800 CPU: 13103.9, 0.00290506/step Wall: 13103.9, 0.00290506/step, 0.395573 hours remaining, 207.617188 MB of memory in use. ENERGY: 4509800 721.4394 2167.0630 1961.7697 110.9481 -205719.7877 17761.6386 0.0000 0.0000 34095.2471 -148901.6817 297.7623 -182996.9288 -148813.8740 299.4818 40.4058 70.6348 557607.7648 -20.0810 -20.1969 PRESSURE: 4510000 -260.761 179.807 -16.2734 179.808 128.574 -37.9508 -16.2736 -37.9521 -212.093 GPRESSURE: 4510000 -237.568 126.891 -47.5628 160.601 145.637 -0.981096 -8.16737 -2.79181 -162.207 PRESSAVG: 4510000 -41.1149 71.1949 13.6919 71.1949 106.804 -5.87244 13.692 -5.87256 -52.6348 GPRESSAVG: 4510000 -40.9487 72.0073 11.2795 70.5899 106.841 -6.42412 13.6127 -5.2363 -52.204 TIMING: 4510000 CPU: 13104.4, 0.00290092/step Wall: 13104.4, 0.00290092/step, 0.394847 hours remaining, 207.617188 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: 4510000 747.7602 2128.6124 1952.6733 96.0252 -205548.5183 17535.8835 0.0000 0.0000 34288.6258 -148798.9379 299.4511 -183087.5637 -148703.5711 300.0120 -114.7603 -84.7126 557645.0181 4.3514 4.5629 PRESSURE: 4510200 53.189 18.5834 -51.4891 18.5836 -340.402 -4.3234 -51.4878 -4.32182 43.7696 GPRESSURE: 4510200 130.282 72.0136 -43.0756 -97.111 -306.488 -50.4565 -40.9811 -27.8052 36.9464 PRESSAVG: 4510200 14.0159 -5.74463 -42.7358 -5.74453 -27.8835 -31.7178 -42.7359 -31.7178 -0.97429 GPRESSAVG: 4510200 13.6046 -7.08005 -42.2083 -4.40246 -26.3954 -31.4085 -41.7467 -30.2091 -2.01651 TIMING: 4510200 CPU: 13105, 0.00289365/step Wall: 13105, 0.00289365/step, 0.393697 hours remaining, 207.617188 MB of memory in use. ENERGY: 4510200 724.8382 2132.9757 1956.8298 121.4679 -205482.2059 17532.0029 0.0000 0.0000 34308.1686 -148705.9229 299.6218 -183014.0915 -148604.2080 300.4771 -81.1479 -46.4201 559841.1527 -4.9473 -4.9358 PRESSURE: 4510400 -226.523 129.091 57.3903 129.092 -73.9181 -32.819 57.3891 -32.8199 -203.942 GPRESSURE: 4510400 -145.651 84.707 79.7077 148.89 -2.4736 -114.965 86.052 41.2681 -248.75 PRESSAVG: 4510400 -31.1639 -18.9022 -4.78937 -18.9022 30.6011 -13.8178 -4.78923 -13.8179 -18.4504 GPRESSAVG: 4510400 -30.4846 -16.7154 -2.40649 -20.6895 29.9115 -13.5708 -6.08983 -13.677 -18.0424 TIMING: 4510400 CPU: 13105.6, 0.00290429/step Wall: 13105.6, 0.00290429/step, 0.394983 hours remaining, 207.617188 MB of memory in use. ENERGY: 4510400 732.8824 2126.1012 1968.2666 103.0734 -205775.4329 17661.5275 0.0000 0.0000 34373.2824 -148810.2994 300.1904 -183183.5818 -148716.5908 301.1218 -168.1277 -132.2916 560003.5622 -6.3378 -6.2052 PRESSURE: 4510600 -112.409 28.0641 -0.28678 28.064 132.255 22.2459 -0.286116 22.2463 16.002 GPRESSURE: 4510600 -45.2443 23.8795 17.0028 -6.76209 136.159 88.6407 15.7879 -11.9875 34.5962 PRESSAVG: 4510600 27.5349 -30.3571 39.3673 -30.3571 -3.44434 28.4454 39.3673 28.4456 3.63184 GPRESSAVG: 4510600 26.8764 -31.4606 38.4186 -28.9372 -2.42434 27.8179 39.0612 28.3541 2.83154 TIMING: 4510600 CPU: 13106.2, 0.00291155/step Wall: 13106.2, 0.00291155/step, 0.395809 hours remaining, 207.687500 MB of memory in use. ENERGY: 4510600 737.5408 2090.9263 1991.5120 114.9718 -205874.5352 17863.5647 0.0000 0.0000 34440.5237 -148635.4959 300.7777 -183076.0196 -148538.9463 300.4334 11.9494 41.8369 559861.7451 9.2408 9.0945 PRESSURE: 4510800 134.365 112.234 4.82631 112.234 -126.753 -25.09 4.8261 -25.0895 -19.8524 GPRESSURE: 4510800 111.211 127.543 94.5953 72.0085 -45.0488 -99.9553 29.7759 -36.7446 15.8729 PRESSAVG: 4510800 60.7473 65.1008 16.2586 65.1009 -53.3603 16.2936 16.2586 16.2936 -59.6028 GPRESSAVG: 4510800 61.2241 64.3799 15.0315 65.4398 -53.8882 16.2774 16.6058 15.9307 -59.4678 TIMING: 4510800 CPU: 13106.8, 0.00292486/step Wall: 13106.8, 0.00292486/step, 0.397455 hours remaining, 207.687500 MB of memory in use. ENERGY: 4510800 759.0885 2116.4269 1967.7137 134.6591 -206095.9483 17950.6591 0.0000 0.0000 34431.5061 -148735.8949 300.6989 -183167.4010 -148642.4495 300.3123 -4.0802 27.3451 558022.0670 -17.4053 -17.3773 PRESSURE: 4511000 -62.2413 62.6683 70.5481 62.6693 25.3139 46.3521 70.5466 46.3498 -313.619 GPRESSURE: 4511000 -41.2968 -39.7113 85.5578 39.8548 68.3892 18.7379 1.25601 55.3673 -290.193 PRESSAVG: 4511000 60.2747 -15.5774 32.3168 -15.5773 16.9624 -15.1463 32.3167 -15.1464 -76.3797 GPRESSAVG: 4511000 59.5248 -16.7156 34.0474 -16.8484 17.5086 -14.9555 30.6622 -14.8289 -76.73 TIMING: 4511000 CPU: 13107.4, 0.00292159/step Wall: 13107.4, 0.00292159/step, 0.396849 hours remaining, 207.687500 MB of memory in use. ENERGY: 4511000 722.8546 2115.7858 1960.4891 109.1706 -205393.8623 17484.2660 0.0000 0.0000 34357.9800 -148643.3162 300.0568 -183001.2962 -148540.7065 300.5477 -116.8489 -87.7004 559318.3043 0.2858 0.1011 PRESSURE: 4511200 233.055 -290.015 -163.756 -290.015 32.864 -151.208 -163.757 -151.208 92.6353 GPRESSURE: 4511200 235.437 -265.17 -259.459 -381.057 80.3322 -157.037 -96.163 -98.621 140.104 PRESSAVG: 4511200 -10.6058 41.4327 -21.8721 41.4326 32.0779 -15.0173 -21.872 -15.0173 -24.1501 GPRESSAVG: 4511200 -11.1743 41.5954 -22.9191 43.2473 31.9918 -15.0601 -19.9433 -15.2135 -23.542 TIMING: 4511200 CPU: 13107.9, 0.00290628/step Wall: 13107.9, 0.00290628/step, 0.394608 hours remaining, 207.687500 MB of memory in use. ENERGY: 4511200 749.1062 2125.5578 1976.5233 115.2173 -205932.3982 17959.8854 0.0000 0.0000 34396.0572 -148610.0509 300.3893 -183006.1081 -148521.8696 301.5748 119.5183 151.9577 557800.5336 -0.8927 -0.9082 PRESSURE: 4511400 -44.0414 -16.3319 -139.594 -16.3317 -11.9164 24.2752 -139.593 24.2743 -101.691 GPRESSURE: 4511400 -50.3112 -87.3329 -143.552 10.2484 47.9971 20.4825 -183.186 12.2881 -58.5369 PRESSAVG: 4511400 -32.0932 38.6547 7.55567 38.6547 26.0848 21.7156 7.55567 21.7156 14.9165 GPRESSAVG: 4511400 -31.7679 39.3152 9.59736 37.237 26.2254 21.2309 6.04068 20.285 14.9058 TIMING: 4511400 CPU: 13108.5, 0.00290248/step Wall: 13108.5, 0.00290248/step, 0.393932 hours remaining, 207.687500 MB of memory in use. ENERGY: 4511400 790.0333 2007.1492 1996.3281 116.0570 -205661.1224 17671.5847 0.0000 0.0000 34355.0964 -148724.8736 300.0316 -183079.9701 -148622.6175 299.8043 -52.5496 -20.2837 557522.6533 2.9694 3.1211 PRESSURE: 4511600 162.091 -69.0747 60.6989 -69.075 -1.65236 -3.58444 60.6995 -3.58363 -55.2881 GPRESSURE: 4511600 200.842 -89.389 9.54953 -106.603 20.86 40.4378 99.2176 17.332 -12.3388 PRESSAVG: 4511600 -6.50839 17.0472 -29.819 17.0472 62.3439 -37.8914 -29.8191 -37.8914 -34.8964 GPRESSAVG: 4511600 -4.4114 17.9502 -31.0641 17.2588 61.09 -37.6118 -28.8789 -36.1941 -35.8354 TIMING: 4511600 CPU: 13109.1, 0.00288555/step Wall: 13109.1, 0.00288555/step, 0.391472 hours remaining, 207.687500 MB of memory in use. ENERGY: 4511600 751.3059 2047.9421 1973.2229 109.9906 -205635.2422 17676.3160 0.0000 0.0000 34354.0973 -148722.3673 300.0229 -183076.4646 -148619.0110 300.4728 35.0502 69.7879 556352.6434 6.9797 6.9477 PRESSURE: 4511800 -308.795 -141.64 1.47692 -141.639 -124.26 -51.1579 1.4767 -51.1589 -217.273 GPRESSURE: 4511800 -234.079 -66.3405 26.0156 -97.3622 -131.243 -136.261 58.8118 -43.5573 -192.825 PRESSAVG: 4511800 40.2673 -12.3635 1.82274 -12.3635 -73.2564 25.0898 1.82271 25.0898 14.0272 GPRESSAVG: 4511800 37.2691 -13.3064 0.587324 -11.7089 -72.5185 25.2428 2.35438 24.6477 16.3703 TIMING: 4511800 CPU: 13109.7, 0.00290232/step Wall: 13109.7, 0.00290232/step, 0.393587 hours remaining, 207.687500 MB of memory in use. ENERGY: 4511800 764.4264 2035.2123 1964.6354 98.9243 -205475.7600 17394.6454 0.0000 0.0000 34411.5331 -148806.3833 300.5245 -183217.9163 -148717.3808 300.4893 -216.7757 -186.0492 558184.7375 -6.3206 -6.2930 PRESSURE: 4512000 -387.547 -75.8086 -104.959 -75.8105 -66.863 -23.0146 -104.958 -23.014 -321.227 GPRESSURE: 4512000 -352.664 -23.3641 -87.8752 -101.414 -43.196 59.6329 -107.849 -58.6669 -290.066 PRESSAVG: 4512000 14.1933 -2.74291 -58.0705 -2.74289 4.14026 61.9904 -58.0705 61.9905 -37.2948 GPRESSAVG: 4512000 15.4808 0.650583 -56.6682 -4.84722 4.11977 63.6988 -57.5128 59.4177 -38.9572 TIMING: 4512000 CPU: 13110.3, 0.00290105/step Wall: 13110.3, 0.00290105/step, 0.393253 hours remaining, 207.687500 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: 4512000 758.0254 2133.0611 1985.3547 112.4423 -205737.9357 17433.1554 0.0000 0.0000 34491.7346 -148824.1621 301.2249 -183315.8968 -148726.6024 300.3736 -258.5456 -228.6419 558612.3303 -6.3204 -6.4522 PRESSURE: 4512200 -138.579 11.0926 -121.759 11.0916 -56.9379 121.282 -121.76 121.281 -178.895 GPRESSURE: 4512200 -123.053 48.9621 -42.3541 -19.6943 -30.2269 89.3337 -179.023 89.1457 -133.355 PRESSAVG: 4512200 15.4709 -41.3121 -19.0042 -41.3121 1.78292 41.7016 -19.0043 41.7017 -25.8802 GPRESSAVG: 4512200 14.9215 -44.1777 -20.3059 -40.0786 2.74474 40.4117 -19.6097 43.8075 -26.0751 TIMING: 4512200 CPU: 13110.8, 0.00290151/step Wall: 13110.8, 0.00290151/step, 0.393155 hours remaining, 207.687500 MB of memory in use. ENERGY: 4512200 719.4066 2109.7289 1969.3655 121.1831 -205929.1444 17593.7200 0.0000 0.0000 34418.5009 -148997.2393 300.5853 -183415.7403 -148895.3572 300.2195 -124.8041 -95.5451 558781.8805 -2.8755 -2.8029 LDB: ============= START OF LOAD BALANCING ============== 13114.3 LDB: ============== END OF LOAD BALANCING =============== 13114.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13114.3 LDB: ============= START OF LOAD BALANCING ============== 13114.6 LDB: Largest compute 4848 load 0.028788 is 24.4% of average load 0.117824 LDB: Average compute 0.001733 is 1.5% of average load 0.117824 LDB: TIME 13114.6 LOAD: AVG 0.117824 MAX 0.180611 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.277 MB LDB: TIME 13114.6 LOAD: AVG 0.117824 MAX 0.180611 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: TIME 13114.6 LOAD: AVG 0.117824 MAX 0.180611 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13114.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13114.6 PRESSURE: 4512400 -92.1396 79.1189 -190.166 79.118 -174.749 4.46235 -190.165 4.46171 34.7526 GPRESSURE: 4512400 -79.5245 13.234 -162.093 106.726 -118.294 -5.90911 -239.964 -41.2301 71.7217 PRESSAVG: 4512400 5.45891 9.0161 -24.5054 9.01614 14.8159 59.0562 -24.5053 59.0562 -30.0777 GPRESSAVG: 4512400 6.93266 9.35726 -22.7183 7.6064 15.0376 60.6771 -25.5828 59.2779 -30.9755 TIMING: 4512400 CPU: 13111.4, 0.00295175/step Wall: 13111.4, 0.00295175/step, 0.399798 hours remaining, 206.132812 MB of memory in use. ENERGY: 4512400 749.8796 2104.7462 1963.5176 106.6064 -206146.8925 17795.8580 0.0000 0.0000 34432.5131 -148993.7716 300.7077 -183426.2847 -148895.4573 299.9910 -77.3788 -42.0323 559909.1626 -3.2676 -3.0018 PRESSURE: 4512600 -216.3 37.4396 -62.8463 37.438 24.0757 -5.66321 -62.8457 -5.66355 259.033 GPRESSURE: 4512600 -140.824 8.68904 -48.4867 48.5395 -4.96173 -32.5898 -50.7436 108.117 309.055 PRESSAVG: 4512600 -61.5046 9.71717 6.67691 9.71726 -30.1083 10.6173 6.67695 10.6172 75.6599 GPRESSAVG: 4512600 -61.5157 10.2241 5.82052 9.97008 -30.8144 9.48783 8.31888 10.3539 76.7253 TIMING: 4512600 CPU: 13112, 0.00290509/step Wall: 13112, 0.00290509/step, 0.393317 hours remaining, 206.132812 MB of memory in use. ENERGY: 4512600 736.1695 2126.7516 1978.3762 112.4992 -206367.8077 18020.7308 0.0000 0.0000 34234.3034 -149158.9771 298.9767 -183393.2805 -149063.6186 299.3590 22.2694 54.4231 557434.1070 -5.3177 -5.2016 PRESSURE: 4512800 -297.628 28.506 -1.33147 28.5053 -29.8171 -13.1536 -1.33202 -13.1524 -163.583 GPRESSURE: 4512800 -250.401 -10.615 -46.7801 -51.3654 9.15364 -39.7371 27.3603 34.7608 -153.519 PRESSAVG: 4512800 13.2441 14.9407 28.3805 14.9408 -28.38 31.6907 28.3805 31.6907 59.891 GPRESSAVG: 4512800 12.4195 14.7771 27.4693 16.0514 -27.6804 33.2848 26.5572 30.9291 59.1477 TIMING: 4512800 CPU: 13112.6, 0.00290099/step Wall: 13112.6, 0.00290099/step, 0.3926 hours remaining, 206.132812 MB of memory in use. ENERGY: 4512800 755.1340 2103.5982 1967.2686 134.6788 -205833.3599 17501.5423 0.0000 0.0000 34235.9376 -149135.2004 298.9910 -183371.1380 -149034.6024 299.0886 -163.6762 -131.5887 558719.4385 14.9184 14.6289 PRESSURE: 4513000 370.127 28.1386 124.386 28.1385 66.4857 72.6688 124.385 72.67 -17.9359 GPRESSURE: 4513000 370.095 -0.695441 233.265 -10.0429 130.29 -46.5526 -7.22347 144.601 17.3533 PRESSAVG: 4513000 2.27506 -41.1036 21.7494 -41.1037 -3.61219 -6.0098 21.7495 -6.00965 48.215 GPRESSAVG: 4513000 1.93324 -40.6576 23.2465 -42.6198 -3.52562 -9.07813 22.9965 -4.38538 48.727 TIMING: 4513000 CPU: 13113.2, 0.00289085/step Wall: 13113.2, 0.00289085/step, 0.391068 hours remaining, 206.132812 MB of memory in use. ENERGY: 4513000 782.2681 2059.8636 1979.9663 121.4913 -206550.1593 18249.0645 0.0000 0.0000 34144.1863 -149213.3191 298.1897 -183357.5054 -149121.5939 299.4825 139.5588 172.5794 557669.6420 15.6260 15.7116 PRESSURE: 4513200 139.802 -103.438 36.7723 -103.439 159.303 -70.7718 36.7722 -70.7717 175.884 GPRESSURE: 4513200 167.452 -70.1498 -43.7834 -136.152 194.447 -44.7731 127.168 -95.4489 209.045 PRESSAVG: 4513200 38.8268 -35.7812 30.2458 -35.7813 -41.8365 40.4232 30.2458 40.4232 -7.40325 GPRESSAVG: 4513200 39.0118 -34.1975 27.9298 -35.4222 -41.5967 42.4154 32.8209 38.1084 -7.619 TIMING: 4513200 CPU: 13113.7, 0.00288558/step Wall: 13113.7, 0.00288558/step, 0.390195 hours remaining, 206.132812 MB of memory in use. ENERGY: 4513200 743.8914 2086.3686 2000.3148 113.4358 -206509.1135 18106.6442 0.0000 0.0000 34162.7166 -149295.7421 298.3515 -183458.4587 -149197.1490 298.7886 158.3297 190.3147 556976.4384 -3.4710 -3.4013 PRESSURE: 4513400 -174.678 -182.328 -69.4589 -182.329 -41.6483 92.5968 -69.4586 92.5983 5.27433 GPRESSURE: 4513400 -193.222 -157.98 -14.4432 -159.688 33.7139 87.2804 -99.2319 98.5892 55.5137 PRESSAVG: 4513400 -82.5314 -48.0159 -34.1428 -48.0158 19.8407 -8.72717 -34.1429 -8.72716 -18.8356 GPRESSAVG: 4513400 -83.1074 -48.9696 -33.0096 -47.1818 19.4694 -8.71701 -37.7945 -8.49891 -17.4087 TIMING: 4513400 CPU: 13114.3, 0.00287655/step Wall: 13114.3, 0.00287655/step, 0.388814 hours remaining, 206.277344 MB of memory in use. ENERGY: 4513400 749.2626 2108.2296 1953.4653 103.4102 -206566.6520 17891.0112 0.0000 0.0000 34283.0278 -149478.2454 299.4022 -183761.2732 -149375.2639 299.0489 -70.3507 -34.6649 556941.2197 -27.1754 -27.0156 PRESSURE: 4513600 338.562 -64.6646 -0.461308 -64.6641 -15.3996 79.7505 -0.462367 79.7517 71.5356 GPRESSURE: 4513600 373.604 -28.5475 37.793 -62.6225 -11.7612 159.811 71.9112 12.57 128.01 PRESSAVG: 4513600 27.8928 -12.1341 -36.1654 -12.1341 -36.6028 37.8643 -36.1655 37.8642 -15.7617 GPRESSAVG: 4513600 28.165 -13.316 -35.1158 -12.9497 -37.1214 36.3561 -36.1938 40.334 -15.5388 TIMING: 4513600 CPU: 13114.9, 0.00286962/step Wall: 13114.9, 0.00286962/step, 0.387717 hours remaining, 206.277344 MB of memory in use. ENERGY: 4513600 715.5299 2079.7722 1942.4730 115.8531 -206255.6511 18027.8112 0.0000 0.0000 34113.9998 -149260.2119 297.9260 -183374.2116 -149158.3299 298.8083 131.5659 163.2842 556344.6091 -8.1572 -8.1651 PRESSURE: 4513800 -30.3666 -7.05647 105.975 -7.05594 -572.529 -99.0099 105.976 -99.0099 -76.25 GPRESSURE: 4513800 -45.4472 31.7071 36.4509 38.5576 -488.008 -121.639 66.4073 -117.178 -52.825 PRESSAVG: 4513800 -10.7586 71.755 -39.0223 71.7549 -15.0234 -32.7546 -39.0223 -32.7545 19.8766 GPRESSAVG: 4513800 -11.2607 74.1437 -39.5698 71.9187 -14.2837 -31.4547 -40.1423 -35.7891 19.2633 TIMING: 4513800 CPU: 13115.5, 0.00285772/step Wall: 13115.5, 0.00285772/step, 0.38595 hours remaining, 206.277344 MB of memory in use. ENERGY: 4513800 755.6336 2094.4185 1980.7902 119.9789 -206044.0760 17787.3058 0.0000 0.0000 34168.7333 -149137.2156 298.4040 -183305.9489 -149043.5126 299.2789 -226.3818 -195.4267 558829.2134 -1.9685 -2.0937 PRESSURE: 4514000 196.92 158.318 -101.889 158.32 62.6183 -16.0135 -101.889 -16.0114 28.344 GPRESSURE: 4514000 200.769 62.974 -183.946 165.026 102.247 -132.907 -54.7639 11.6362 69.074 PRESSAVG: 4514000 16.9636 49.6012 -34.4246 49.6012 -29.4942 26.9654 -34.4247 26.9654 30.5547 GPRESSAVG: 4514000 17.6267 48.9437 -32.7712 48.58 -29.492 23.7569 -32.5278 30.547 29.8987 TIMING: 4514000 CPU: 13116, 0.00288186/step Wall: 13116, 0.00288186/step, 0.389051 hours remaining, 206.277344 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: 4514000 741.6619 2135.5893 1950.3645 104.8005 -206440.4534 18024.2265 0.0000 0.0000 34236.1874 -149247.6233 298.9931 -183483.8107 -149140.6269 299.0086 95.9607 124.0300 556692.3110 6.0081 6.0111 PRESSURE: 4514200 -311.057 -71.5524 36.9967 -71.5514 -28.4501 0.705942 36.9963 0.707884 5.28011 GPRESSURE: 4514200 -261.303 1.97858 -48.2708 -95.6904 -33.4691 -15.5228 78.4288 43.5604 69.5307 PRESSAVG: 4514200 12.6408 28.1488 15.2836 28.1487 35.1877 -25.8017 15.2835 -25.8017 0.756515 GPRESSAVG: 4514200 10.7093 29.3385 14.9528 27.4287 35.9629 -25.4131 13.2385 -26.0907 1.28279 TIMING: 4514200 CPU: 13116.6, 0.00288352/step Wall: 13116.6, 0.00288352/step, 0.389115 hours remaining, 206.277344 MB of memory in use. ENERGY: 4514200 759.2318 2060.6375 1946.5723 106.4980 -205811.3186 17687.8482 0.0000 0.0000 34220.1913 -149030.3394 298.8534 -183250.5307 -148937.7433 299.0102 -111.4090 -75.0805 558558.6068 16.1950 15.9850 PRESSURE: 4514400 -134.843 -21.2984 40.6117 -21.2991 172.604 -49.1979 40.6112 -49.1968 -130.178 GPRESSURE: 4514400 -84.2981 -93.1372 -29.1204 -23.5507 156.465 -122.027 57.575 -60.012 -72.7007 PRESSAVG: 4514400 -18.8657 17.2825 -20.6402 17.2824 12.2965 -11.7626 -20.6402 -11.7627 14.9342 GPRESSAVG: 4514400 -17.9599 14.2306 -21.0034 20.1114 12.0875 -10.399 -18.5387 -13.1816 14.3085 TIMING: 4514400 CPU: 13117.2, 0.00287629/step Wall: 13117.2, 0.00287629/step, 0.387979 hours remaining, 206.277344 MB of memory in use. ENERGY: 4514400 741.4429 2115.8506 1945.9521 126.7879 -206227.6378 17766.2698 0.0000 0.0000 34554.1269 -148977.2075 301.7698 -183531.3344 -148884.9035 300.3811 -30.8059 -0.1781 557896.9903 2.7883 2.8120 PRESSURE: 4514600 134.491 -172.597 -123.273 -172.596 145.255 -13.4665 -123.273 -13.4659 364.105 GPRESSURE: 4514600 158.413 -182.665 -30.1544 -211.794 238.498 -53.7405 -98.7348 74.6781 337.586 PRESSAVG: 4514600 -82.4827 -38.9649 57.7938 -38.9649 28.0227 -27.903 57.7937 -27.9031 47.6679 GPRESSAVG: 4514600 -82.2286 -38.2995 58.2973 -40.0236 27.3327 -28.1965 55.7005 -27.4257 48.1983 TIMING: 4514600 CPU: 13117.8, 0.00287937/step Wall: 13117.8, 0.00287937/step, 0.388236 hours remaining, 206.277344 MB of memory in use. ENERGY: 4514600 748.7188 2102.9669 1925.5835 112.6376 -206431.0669 18212.0549 0.0000 0.0000 34383.7676 -148945.3377 300.2820 -183329.1053 -148846.4913 300.9369 214.6170 244.8322 556288.2517 -2.2640 -2.2325 PRESSURE: 4514800 -191.866 14.7574 45.4808 14.7566 154.599 197.904 45.4803 197.903 -197.735 GPRESSURE: 4514800 -100.691 15.3869 -20.5308 -74.575 152.575 150.856 52.5133 208.144 -180.747 PRESSAVG: 4514800 11.3949 -18.3127 -17.9765 -18.3127 28.7422 2.49402 -17.9766 2.49407 40.4815 GPRESSAVG: 4514800 12.0445 -17.4419 -18.345 -19.1262 28.6724 2.51319 -18.6462 2.92925 40.0179 TIMING: 4514800 CPU: 13118.3, 0.00289039/step Wall: 13118.3, 0.00289039/step, 0.38956 hours remaining, 206.277344 MB of memory in use. ENERGY: 4514800 752.0465 2118.4881 1957.9856 106.0246 -205940.4937 17728.8774 0.0000 0.0000 34424.4159 -148852.6556 300.6370 -183277.0714 -148753.4149 300.6569 -78.3340 -42.9544 555809.6207 26.8729 26.9116 PRESSURE: 4515000 -220.022 130.222 119.058 130.221 -40.4345 -59.765 119.059 -59.7651 -240.541 GPRESSURE: 4515000 -155.684 82.2531 150.366 86.8728 -11.8617 -65.1061 99.8004 -132.289 -237.124 PRESSAVG: 4515000 -61.06 21.9915 -12.4842 21.9916 -17.4495 0.305056 -12.4842 0.304967 59.8006 GPRESSAVG: 4515000 -62.5686 23.9379 -13.4843 22.0605 -16.6165 0.47687 -10.533 -0.83113 60.3304 TIMING: 4515000 CPU: 13118.9, 0.00287198/step Wall: 13118.9, 0.00287198/step, 0.386919 hours remaining, 206.277344 MB of memory in use. ENERGY: 4515000 790.7300 2034.7383 1961.3237 106.7643 -205917.5334 17691.1111 0.0000 0.0000 34216.9314 -149115.9346 298.8250 -183332.8660 -149014.6426 299.7952 -166.9992 -134.8898 557284.2650 -6.2363 -6.2849 PRESSURE: 4515200 -141.806 0.506844 121.486 0.508696 178.847 -16.7807 121.485 -16.7813 122.15 GPRESSURE: 4515200 -58.7494 34.907 51.0364 -4.91535 168.635 -14.0509 159.234 -25.3894 155.332 PRESSAVG: 4515200 18.9276 25.3113 11.5322 25.3113 -52.0804 11.7739 11.5323 11.7739 72.3393 GPRESSAVG: 4515200 19.209 23.1118 8.97792 28.4492 -52.7247 10.8169 13.9533 15.8121 72.1104 TIMING: 4515200 CPU: 13119.5, 0.0028848/step Wall: 13119.5, 0.0028848/step, 0.388486 hours remaining, 206.277344 MB of memory in use. ENERGY: 4515200 750.4202 2059.2457 1941.1691 115.8974 -206347.6356 17882.5196 0.0000 0.0000 34635.8831 -148962.5004 302.4838 -183598.3835 -148862.5258 299.8512 53.0637 88.4061 558012.5360 13.0622 12.8649 PRESSURE: 4515400 -66.8714 50.7303 19.0849 50.7325 -76.1349 21.7863 19.0854 21.7857 -87.7639 GPRESSURE: 4515400 -71.2063 84.0102 79.2937 -7.45052 0.551479 75.875 12.4319 48.853 -68.1598 PRESSAVG: 4515400 3.83451 -29.0947 36.2587 -29.0947 -3.30782 -37.4229 36.2587 -37.4231 27.8508 GPRESSAVG: 4515400 3.17039 -28.377 39.9626 -29.4244 -3.5613 -35.818 33.5957 -41.3007 28.0889 TIMING: 4515400 CPU: 13120.1, 0.00286626/step Wall: 13120.1, 0.00286626/step, 0.385831 hours remaining, 206.277344 MB of memory in use. ENERGY: 4515400 770.7005 2095.2234 1948.4451 109.8746 -206346.5129 17872.8769 0.0000 0.0000 34531.2540 -149018.1384 301.5700 -183549.3924 -148921.8172 300.2275 -76.9234 -46.2716 557365.1631 9.4592 9.2327 PRESSURE: 4515600 -119.094 8.64109 53.0824 8.64085 -24.4677 8.77522 53.0833 8.77609 -293.42 GPRESSURE: 4515600 -121.968 -63.4742 94.5586 -44.3675 41.6991 11.0106 -4.38274 -73.0463 -267.65 PRESSAVG: 4515600 -29.0345 -40.1814 46.304 -40.1815 6.34878 -19.9937 46.3039 -19.9937 -0.635828 GPRESSAVG: 4515600 -28.6627 -40.6644 46.7255 -40.9421 6.43041 -23.2815 45.9378 -17.2177 -0.764277 TIMING: 4515600 CPU: 13120.6, 0.00288488/step Wall: 13120.6, 0.00288488/step, 0.388177 hours remaining, 206.480469 MB of memory in use. ENERGY: 4515600 740.2948 2119.9058 1970.0979 108.4586 -205949.5622 17636.8768 0.0000 0.0000 34228.3661 -149145.5622 298.9248 -183373.9284 -149050.1269 300.1648 -145.6606 -115.9730 559397.3069 -7.7738 -7.6655 PRESSURE: 4515800 72.3985 -15.9092 15.0262 -15.9095 -90.918 -63.6651 15.0259 -63.6643 11.2651 GPRESSURE: 4515800 109.855 -22.6679 49.9434 -80.3673 -35.151 -5.90957 66.6 -54.3672 14.8123 PRESSAVG: 4515800 -73.9129 -20.1418 -3.51478 -20.1418 26.8238 -36.0816 -3.51468 -36.0816 0.841204 GPRESSAVG: 4515800 -74.4637 -20.2977 -6.46329 -22.2155 27.2682 -34.1328 -0.846997 -36.7992 1.39464 TIMING: 4515800 CPU: 13121.2, 0.00290334/step Wall: 13121.2, 0.00290334/step, 0.390499 hours remaining, 206.480469 MB of memory in use. ENERGY: 4515800 767.5785 2104.5633 1933.8508 113.3421 -206288.0937 17936.0675 0.0000 0.0000 34226.2662 -149206.4253 298.9065 -183432.6915 -149111.6478 299.6121 -2.4181 29.8386 558448.8225 -15.4160 -15.2669 PRESSURE: 4516000 -1.31314 -137.252 -102.785 -137.251 6.23021 -137.507 -102.785 -137.506 23.7534 GPRESSURE: 4516000 24.4706 -66.1233 -105.565 -157.724 56.4163 -106.464 -207.226 -77.4663 56.5664 PRESSAVG: 4516000 -28.7898 -33.5547 33.4683 -33.5548 -0.29771 -12.7605 33.4682 -12.7604 53.2002 GPRESSAVG: 4516000 -28.1099 -34.3334 33.5906 -29.1944 -1.0868 -13.3296 32.3793 -13.3799 53.6674 TIMING: 4516000 CPU: 13121.8, 0.00288444/step Wall: 13121.8, 0.00288444/step, 0.387797 hours remaining, 206.480469 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: 4516000 746.9081 2046.8120 1936.9461 120.9390 -206239.3503 17984.1644 0.0000 0.0000 34277.4085 -149126.1722 299.3531 -183403.5807 -149036.1875 299.6328 9.5568 45.8178 558686.8497 8.0376 8.1569 PRESSURE: 4516200 131.622 66.9517 -159.12 66.9503 147.345 196.522 -159.12 196.524 -180.534 GPRESSURE: 4516200 197.273 68.4739 -179.399 -36.8453 113.881 148.231 -94.2883 209.558 -116.901 PRESSAVG: 4516200 44.0506 -6.61348 27.4751 -6.61345 -63.3137 -43.8863 27.4751 -43.8862 13.1412 GPRESSAVG: 4516200 43.6952 -2.62707 28.7395 -10.8952 -64.5233 -43.5135 26.4555 -44.1742 14.4948 TIMING: 4516200 CPU: 13122.4, 0.00287609/step Wall: 13122.4, 0.00287609/step, 0.386515 hours remaining, 206.480469 MB of memory in use. ENERGY: 4516200 741.5566 2051.2361 1946.3291 106.3676 -206532.3673 18077.8723 0.0000 0.0000 34329.2774 -149279.7281 299.8061 -183609.0055 -149187.0931 299.4783 32.8106 64.7514 557260.9561 -2.0407 -2.1111 LDB: ============= START OF LOAD BALANCING ============== 13125.8 LDB: ============== END OF LOAD BALANCING =============== 13125.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13125.8 LDB: ============= START OF LOAD BALANCING ============== 13126.1 LDB: Largest compute 4848 load 0.029958 is 25.4% of average load 0.117798 LDB: Average compute 0.001741 is 1.5% of average load 0.117798 LDB: TIME 13126.1 LOAD: AVG 0.117798 MAX 0.1791 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.895 MB LDB: TIME 13126.1 LOAD: AVG 0.117798 MAX 0.1791 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: TIME 13126.1 LOAD: AVG 0.117798 MAX 0.1791 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.137 MB LDB: ============== END OF LOAD BALANCING =============== 13126.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13126.1 PRESSURE: 4516400 18.2282 43.8961 51.7008 43.8947 156.266 36.3451 51.7004 36.3444 369.555 GPRESSURE: 4516400 52.983 -13.0222 64.5047 13.1285 193.314 55.0912 44.6729 20.5812 389.142 PRESSAVG: 4516400 -14.7763 -32.6357 21.9273 -32.6357 -14.3948 3.86554 21.9273 3.86554 59.0721 GPRESSAVG: 4516400 -14.1279 -35.2781 20.7064 -31.8486 -12.9839 4.35842 23.6811 3.34804 56.4008 TIMING: 4516400 CPU: 13123, 0.00294747/step Wall: 13123, 0.00294747/step, 0.395944 hours remaining, 206.921875 MB of memory in use. ENERGY: 4516400 723.5844 2083.4016 1967.7300 117.9249 -206654.5002 18193.3976 0.0000 0.0000 34043.4507 -149525.0109 297.3099 -183568.4616 -149439.2629 298.6108 181.3496 211.8130 556363.1625 9.9670 9.7630 PRESSURE: 4516600 25.1844 92.9425 -7.76235 92.9409 -59.5346 3.87295 -7.76245 3.87246 116.073 GPRESSURE: 4516600 30.3869 91.3154 -28.8321 -2.92849 -49.9813 -30.1121 16.313 20.5934 193.852 PRESSAVG: 4516600 -26.6895 29.4692 14.1502 29.4692 -17.8624 -6.65691 14.1503 -6.65708 22.8349 GPRESSAVG: 4516600 -26.793 31.4415 15.3879 29.765 -18.7003 -7.91698 11.5484 -3.71875 23.9323 TIMING: 4516600 CPU: 13123.5, 0.00288742/step Wall: 13123.5, 0.00288742/step, 0.387716 hours remaining, 207.289062 MB of memory in use. ENERGY: 4516600 751.9110 2035.1652 1970.2589 108.6209 -206642.5615 18029.8032 0.0000 0.0000 34149.4432 -149597.3591 298.2356 -183746.8023 -149499.7920 297.7153 27.2409 58.0860 556945.3172 -7.2390 -7.1870 PRESSURE: 4516800 -90.2445 55.6806 34.2364 55.6814 188.451 -127.828 34.2358 -127.826 111.46 GPRESSURE: 4516800 -81.46 40.5343 -27.2175 20.3905 225.953 -166.315 46.5354 -86.5803 153.011 PRESSAVG: 4516800 0.960301 -38.7158 27.039 -38.7158 -42.2432 -2.77068 27.039 -2.7707 64.9648 GPRESSAVG: 4516800 1.25095 -39.6722 26.2865 -38.5353 -41.3713 -3.24119 29.735 -3.91536 64.3148 TIMING: 4516800 CPU: 13124.1, 0.00289917/step Wall: 13124.1, 0.00289917/step, 0.389134 hours remaining, 207.289062 MB of memory in use. ENERGY: 4516800 743.5411 2108.9180 1963.0779 124.8526 -206999.0774 18205.8537 0.0000 0.0000 34023.5068 -149829.3272 297.1357 -183852.8340 -149733.9954 297.6548 69.8888 99.1680 557724.2752 7.8939 8.0648 PRESSURE: 4517000 142.48 -26.9145 162.325 -26.9146 103.298 -129.254 162.325 -129.252 112.179 GPRESSURE: 4517000 171.324 33.2678 125.969 -62.4911 137.904 -175.188 178.514 -164.93 141.438 PRESSAVG: 4517000 -28.7881 36.9455 40.1989 36.9454 -11.7708 -39.3632 40.199 -39.3632 65.0886 GPRESSAVG: 4517000 -28.9633 36.8656 39.9458 34.9596 -12.3194 -39.4693 38.0814 -40.1403 65.2863 TIMING: 4517000 CPU: 13124.7, 0.00288816/step Wall: 13124.7, 0.00288816/step, 0.387495 hours remaining, 207.289062 MB of memory in use. ENERGY: 4517000 731.8363 2101.2241 1955.2726 113.1039 -206918.4528 18238.1591 0.0000 0.0000 34087.1308 -149691.7260 297.6914 -183778.8568 -149601.1905 297.4797 119.3189 150.2222 556697.5026 8.1766 8.0012 PRESSURE: 4517200 82.6771 -64.7014 27.587 -64.6998 98.3265 74.4471 27.5879 74.4486 -85.7353 GPRESSURE: 4517200 144.623 -13.9217 62.118 -39.6535 77.8484 18.3999 -63.1361 120 -36.6828 PRESSAVG: 4517200 -15.2105 -12.1465 -29.3121 -12.1464 -9.34008 -0.497771 -29.3121 -0.497767 5.25047 GPRESSAVG: 4517200 -15.8678 -11.2501 -30.2053 -11.9759 -10.0002 -1.2804 -27.8705 -0.868737 6.33404 TIMING: 4517200 CPU: 13125.3, 0.00288523/step Wall: 13125.3, 0.00288523/step, 0.386941 hours remaining, 207.289062 MB of memory in use. ENERGY: 4517200 760.9125 2073.1287 1957.8286 120.3889 -206748.2719 17963.9586 0.0000 0.0000 34216.0472 -149656.0074 298.8173 -183872.0546 -149552.3732 297.5064 31.7561 61.9295 555963.0076 -6.4334 -6.5113 PRESSURE: 4517400 312.874 62.8224 197.318 62.822 165.201 -194.614 197.319 -194.615 219.931 GPRESSURE: 4517400 341.858 20.7491 161.643 27.905 223.01 -162.314 186.185 -193.77 235.92 PRESSAVG: 4517400 -5.56606 5.19374 22.6302 5.19377 33.9763 -72.0571 22.6302 -72.0571 -9.9275 GPRESSAVG: 4517400 -4.33865 3.78496 22.7573 5.31195 34.2225 -70.6451 23.1594 -73.1427 -11.3554 TIMING: 4517400 CPU: 13125.9, 0.00288972/step Wall: 13125.9, 0.00288972/step, 0.387383 hours remaining, 207.289062 MB of memory in use. ENERGY: 4517400 746.2912 2117.3294 1998.7784 118.9300 -206962.3600 18232.3299 0.0000 0.0000 34142.6188 -149606.0822 298.1760 -183748.7011 -149520.2514 298.0639 232.6687 266.9293 556593.9809 6.1609 6.1761 PRESSURE: 4517600 -40.9108 -206.185 165.614 -206.184 -113.091 -47.4578 165.615 -47.4569 -322.567 GPRESSURE: 4517600 -14.3342 -215.184 195.644 -181.386 -110.997 42.3786 150.614 -140.019 -271.773 PRESSAVG: 4517600 -37.7636 18.5319 -29.137 18.5318 20.5776 -80.2861 -29.137 -80.2862 17.7455 GPRESSAVG: 4517600 -38.6051 18.5307 -28.0527 19.7564 20.1684 -79.2954 -29.6804 -81.1659 18.2616 TIMING: 4517600 CPU: 13126.4, 0.00289985/step Wall: 13126.4, 0.00289985/step, 0.388579 hours remaining, 207.289062 MB of memory in use. ENERGY: 4517600 770.9186 2106.3211 1974.7054 117.0895 -206367.4156 17758.0363 0.0000 0.0000 34224.7149 -149415.6298 298.8929 -183640.3447 -149316.8995 298.1045 -158.8561 -132.3681 559444.4527 0.1865 -0.0584 PRESSURE: 4517800 122.338 -70.31 -25.3228 -70.3108 5.02855 6.53348 -25.323 6.53388 1.30286 GPRESSURE: 4517800 168.796 -183.1 -13.529 -42.9423 30.9259 42.501 46.1571 35.1405 27.2606 PRESSAVG: 4517800 -84.7967 -29.4338 34.8148 -29.4336 22.4519 -11.6706 34.8148 -11.6707 10.1861 GPRESSAVG: 4517800 -84.8262 -28.4651 35.0053 -28.5516 22.5895 -13.1763 34.9651 -9.46238 10.4872 TIMING: 4517800 CPU: 13127, 0.00289114/step Wall: 13127, 0.00289114/step, 0.387253 hours remaining, 207.289062 MB of memory in use. ENERGY: 4517800 742.0802 2174.3372 1978.2454 118.5449 -206538.6126 18096.5256 0.0000 0.0000 34253.8016 -149175.0777 299.1470 -183428.8793 -149085.7818 299.1555 42.8898 75.6608 558678.6208 -17.3862 -17.2498 PRESSURE: 4518000 -79.674 44.1666 55.8464 44.1657 -119.687 -71.1329 55.8474 -71.1319 -62.3809 GPRESSURE: 4518000 18.4082 -51.7975 71.8722 68.6703 -164.991 -62.2692 103.129 -49.6244 -20.352 PRESSAVG: 4518000 -57.3706 -32.7819 26.0608 -32.782 4.30512 -48.3183 26.0608 -48.3183 58.3251 GPRESSAVG: 4518000 -57.8609 -32.8431 23.6216 -33.2589 4.07305 -49.0761 28.4596 -47.3662 58.4839 TIMING: 4518000 CPU: 13127.6, 0.00288076/step Wall: 13127.6, 0.00288076/step, 0.385701 hours remaining, 207.289062 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: 4518000 734.5291 2134.0396 1971.9325 126.3718 -206020.5467 17833.5271 0.0000 0.0000 34173.1174 -149047.0291 298.4423 -183220.1466 -148955.2209 299.3101 -87.2474 -55.6451 558556.6591 1.7532 1.5653 PRESSURE: 4518200 19.7054 8.91063 -10.5942 8.91233 87.5212 84.332 -10.5926 84.332 235.588 GPRESSURE: 4518200 29.4737 -3.28857 34.8398 37.3245 75.3123 30.6116 0.502295 26.5852 350.742 PRESSAVG: 4518200 -22.6449 14.1803 -20.7502 14.1803 -8.79401 34.5627 -20.7501 34.5626 34.018 GPRESSAVG: 4518200 -22.3327 13.8241 -19.9594 14.3573 -8.79907 35.5434 -21.6101 33.6534 34.5068 TIMING: 4518200 CPU: 13128.2, 0.00289931/step Wall: 13128.2, 0.00289931/step, 0.388024 hours remaining, 207.289062 MB of memory in use. ENERGY: 4518200 769.2661 2143.2647 1954.4576 129.9017 -206408.7956 18190.8370 0.0000 0.0000 34148.5850 -149072.4836 298.2281 -183221.0686 -148980.8385 298.8302 114.2715 151.8425 556859.0038 0.8597 1.1250 PRESSURE: 4518400 -106.027 87.7234 17.5819 87.7223 32.1663 19.3126 17.5821 19.3125 -262.454 GPRESSURE: 4518400 -33.223 39.2241 1.88658 43.1396 70.2976 -28.5178 -22.0653 89.2883 -268.268 PRESSAVG: 4518400 -60.9193 11.5819 2.42541 11.5818 -31.8063 45.6457 2.4254 45.6458 99.1355 GPRESSAVG: 4518400 -60.689 12.1747 3.96164 12.8808 -30.7494 43.4798 -0.278211 47.0481 98.2158 TIMING: 4518400 CPU: 13128.8, 0.00289357/step Wall: 13128.8, 0.00289357/step, 0.387096 hours remaining, 207.289062 MB of memory in use. ENERGY: 4518400 737.9344 2088.0473 1950.8090 119.9078 -205977.6969 17560.5488 0.0000 0.0000 34260.3337 -149260.1158 299.2040 -183520.4496 -149163.8293 299.2230 -112.1051 -77.0646 558416.3706 2.1367 2.2591 PRESSURE: 4518600 -468.204 165.536 42.4366 165.536 -116.261 -51.0138 42.4372 -51.0143 -101.871 GPRESSURE: 4518600 -478.38 174.707 34.7092 174.964 -4.74622 -26.5061 61.8402 -52.1422 -125.972 PRESSAVG: 4518600 -66.8282 44.0012 7.14652 44.0012 100.145 5.00291 7.14654 5.00285 36.4152 GPRESSAVG: 4518600 -67.4096 43.3052 8.12256 44.5973 100.975 6.94175 8.85876 3.77147 35.6665 TIMING: 4518600 CPU: 13129.3, 0.00289547/step Wall: 13129.3, 0.00289547/step, 0.387189 hours remaining, 207.289062 MB of memory in use. ENERGY: 4518600 777.2221 2098.8944 1950.0263 107.0346 -205954.4495 17571.7590 0.0000 0.0000 34180.6889 -149268.8243 298.5085 -183449.5132 -149177.3522 298.9313 -228.7790 -203.0328 558157.4024 23.2440 23.0774 PRESSURE: 4518800 62.0951 -22.7411 -219.057 -22.7406 -10.4143 140.463 -219.058 140.463 31.9195 GPRESSURE: 4518800 133.142 -26.169 -204.483 -68.637 -30.4197 155.852 -194.66 114.858 88.1407 PRESSAVG: 4518800 7.6009 1.52202 -9.74742 1.52198 8.10557 20.9355 -9.74738 20.9354 -26.6538 GPRESSAVG: 4518800 7.20166 2.29056 -10.5671 -0.136798 6.45296 23.909 -9.1688 21.4268 -25.1766 TIMING: 4518800 CPU: 13129.9, 0.00289948/step Wall: 13129.9, 0.00289948/step, 0.387564 hours remaining, 207.289062 MB of memory in use. ENERGY: 4518800 730.9307 2108.4403 1971.1155 122.0691 -206567.5731 17873.0001 0.0000 0.0000 34270.9916 -149491.0258 299.2971 -183762.0174 -149391.5613 298.1470 27.8667 63.6209 556522.0789 -3.6491 -3.8407 PRESSURE: 4519000 -128.26 -7.57907 37.8292 -7.57999 -215.831 -84.643 37.8304 -84.6441 -228.313 GPRESSURE: 4519000 -17.1369 -71.0063 -26.3105 72.4801 -184.476 -57.8091 16.0496 -146.357 -258.539 PRESSAVG: 4519000 -12.2257 -33.0394 -45.8951 -33.0394 -15.671 -2.58077 -45.895 -2.58073 18.268 GPRESSAVG: 4519000 -11.0712 -33.6712 -45.4814 -32.4373 -16.1393 -4.78482 -47.6117 -3.97389 17.2165 TIMING: 4519000 CPU: 13130.5, 0.00288992/step Wall: 13130.5, 0.00288992/step, 0.386125 hours remaining, 207.289062 MB of memory in use. ENERGY: 4519000 740.6827 2087.2926 1958.0287 114.6049 -206169.7758 17520.1952 0.0000 0.0000 34329.5503 -149419.4215 299.8085 -183748.9718 -149333.7467 298.9982 -190.8012 -153.3840 557567.5327 -3.2096 -3.3313 PRESSURE: 4519200 -45.7052 7.88914 64.1073 7.88824 103.717 -62.7812 64.107 -62.7814 -391.399 GPRESSURE: 4519200 -8.56644 -40.7442 29.7601 -96.8147 122.048 -174.317 72.0107 -1.11959 -350.848 PRESSAVG: 4519200 -21.1487 -11.3934 -55.0452 -11.3934 47.4824 -10.6478 -55.0452 -10.6477 -30.2887 GPRESSAVG: 4519200 -22.0762 -10.9626 -57.2294 -13.3633 49.4136 -10.7893 -53.203 -9.8507 -31.1321 TIMING: 4519200 CPU: 13131.1, 0.00286951/step Wall: 13131.1, 0.00286951/step, 0.383239 hours remaining, 207.289062 MB of memory in use. ENERGY: 4519200 764.6776 2140.9867 1995.8357 105.3748 -205892.7963 17774.9269 0.0000 0.0000 33817.5062 -149293.4883 295.3367 -183110.9945 -149186.4288 298.8467 -111.1290 -79.1223 558675.5887 -1.3183 -1.2649 PRESSURE: 4519400 137.261 -78.6799 83.8675 -78.6803 -62.679 189.558 83.8677 189.557 -153.487 GPRESSURE: 4519400 132.578 -91.9568 55.1291 -32.4396 -11.0079 206.193 104.824 145.834 -93.9144 PRESSAVG: 4519400 -7.10024 -30.739 -16.9778 -30.7391 41.6325 35.6723 -16.9777 35.6723 -67.8952 GPRESSAVG: 4519400 -6.47602 -30.9293 -14.2911 -30.554 39.5188 35.7793 -16.6718 35.0529 -66.5049 TIMING: 4519400 CPU: 13131.6, 0.00287288/step Wall: 13131.6, 0.00287288/step, 0.38353 hours remaining, 207.289062 MB of memory in use. ENERGY: 4519400 759.0335 2066.3892 1984.0368 109.6509 -206109.0298 17700.9299 0.0000 0.0000 34170.7014 -149318.2881 298.4212 -183488.9895 -149220.7055 298.7160 -26.3016 9.2184 555938.7137 -11.1210 -11.1540 PRESSURE: 4519600 180.746 106.637 135.052 106.637 -39.2639 123.607 135.053 123.607 -122.176 GPRESSURE: 4519600 201.97 219.619 156.401 47.2047 62.5397 119.492 123.95 65.2468 -137.926 PRESSAVG: 4519600 3.08179 26.325 -13.6012 26.3251 -23.3599 -2.82512 -13.6012 -2.82515 23.896 GPRESSAVG: 4519600 3.26601 28.9662 -14.7414 25.6625 -22.5597 -2.06241 -15.1349 -2.25156 23.0374 TIMING: 4519600 CPU: 13132.2, 0.00290553/step Wall: 13132.2, 0.00290553/step, 0.387727 hours remaining, 207.289062 MB of memory in use. ENERGY: 4519600 726.3840 2122.2405 1969.5754 124.2758 -206315.7589 17751.9848 0.0000 0.0000 34143.8078 -149477.4907 298.1864 -183621.2984 -149387.3345 298.4361 6.4353 42.1945 556472.4122 1.2060 1.2479 PRESSURE: 4519800 -206.017 103.135 -40.3788 103.135 -333.442 -38.7285 -40.3789 -38.7294 48.4207 GPRESSURE: 4519800 -110.529 43.3853 -156.859 4.99208 -303.313 0.484912 -40.3925 -106.478 19.3237 PRESSAVG: 4519800 69.1795 32.1308 -17.338 32.1308 -73.6973 12.5598 -17.3381 12.5599 48.0996 GPRESSAVG: 4519800 68.3771 29.2717 -18.0609 32.9573 -72.1755 10.942 -17.912 13.6468 47.762 TIMING: 4519800 CPU: 13132.8, 0.00291941/step Wall: 13132.8, 0.00291941/step, 0.389417 hours remaining, 207.289062 MB of memory in use. ENERGY: 4519800 741.2553 2038.8511 1950.5306 103.2115 -206355.2757 17694.5374 0.0000 0.0000 34222.9120 -149603.9777 298.8772 -183826.8897 -149503.9960 298.0648 -163.6796 -131.5064 556751.4157 14.5272 14.6546 PRESSURE: 4520000 45.7048 -80.715 208.704 -80.7139 -43.3173 -68.2719 208.704 -68.2722 -214.023 GPRESSURE: 4520000 -22.57 -106.603 104.814 -70.6194 12.0532 -54.0578 190.909 -48.5243 -106.634 PRESSAVG: 4520000 43.5494 5.76761 -7.12618 5.76762 -49.2574 15.3026 -7.1261 15.3027 53.3622 GPRESSAVG: 4520000 45.2321 6.8236 -6.08136 3.82296 -50.8579 15.2498 -8.40165 14.3949 52.9279 TIMING: 4520000 CPU: 13133.4, 0.00289951/step Wall: 13133.4, 0.00289951/step, 0.386601 hours remaining, 207.289062 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: 4520000 732.3673 2073.0610 1973.0266 117.4380 -206328.9716 17757.2702 0.0000 0.0000 34006.9687 -149668.8397 296.9913 -183675.8085 -149570.5917 297.6140 -70.5450 -39.0504 556977.4789 15.8847 15.7673 PRESSURE: 4520200 -141.584 83.6472 -153.243 83.6479 231.666 -2.58279 -153.242 -2.58216 -146.355 GPRESSURE: 4520200 -109.282 120.76 -108.562 126.119 268.894 8.97359 -83.7669 -20.9248 -130.976 PRESSAVG: 4520200 -54.6717 12.5696 19.2572 12.5696 82.827 2.85146 19.2571 2.85157 -37.2576 GPRESSAVG: 4520200 -56.2038 12.6066 17.9104 14.728 83.2348 3.00283 21.6704 2.52032 -36.7182 TIMING: 4520200 CPU: 13134, 0.00288587/step Wall: 13134, 0.00288587/step, 0.384623 hours remaining, 207.289062 MB of memory in use. ENERGY: 4520200 779.1948 2055.9142 1953.3781 131.5539 -206920.9632 18147.2263 0.0000 0.0000 34466.8581 -149386.8377 301.0076 -183853.6959 -149287.7087 298.6547 -18.7573 9.5454 557347.6394 -3.0341 -3.2291 LDB: ============= START OF LOAD BALANCING ============== 13137.4 LDB: ============== END OF LOAD BALANCING =============== 13137.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13137.4 LDB: ============= START OF LOAD BALANCING ============== 13137.7 LDB: Largest compute 4848 load 0.027728 is 23.5% of average load 0.117809 LDB: Average compute 0.001733 is 1.5% of average load 0.117809 LDB: TIME 13137.7 LOAD: AVG 0.117809 MAX 0.181068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 13137.7 LOAD: AVG 0.117809 MAX 0.181068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: TIME 13137.7 LOAD: AVG 0.117809 MAX 0.181068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.539 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13137.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13137.7 PRESSURE: 4520400 -289.516 37.0665 153.194 37.0666 -367.319 -134.841 153.193 -134.84 -117.197 GPRESSURE: 4520400 -249.265 -1.32764 227.044 110.232 -331.421 -104.9 33.333 -99.8666 -89.1086 PRESSAVG: 4520400 -39.7107 -1.03293 -25.3838 -1.03283 31.9407 -23.2129 -25.3838 -23.213 -16.9197 GPRESSAVG: 4520400 -38.6664 -1.05929 -23.8164 -0.650307 32.8465 -20.6105 -26.7739 -23.6676 -18.0473 TIMING: 4520400 CPU: 13134.5, 0.00293606/step Wall: 13134.5, 0.00293606/step, 0.391149 hours remaining, 208.042969 MB of memory in use. ENERGY: 4520400 727.7882 2035.3640 1970.2180 108.8025 -206073.2490 17487.5932 0.0000 0.0000 34201.1759 -149542.3072 298.6874 -183743.4831 -149435.9372 299.1641 -258.0106 -223.2646 557508.8556 -8.2299 -7.9557 PRESSURE: 4520600 -159.653 -17.5308 58.2877 -17.5314 341.8 5.14333 58.2884 5.14445 -203.349 GPRESSURE: 4520600 -171.62 -85.4771 -11.6172 10.7183 380.148 -17.1744 84.4212 -11.8661 -123.586 PRESSAVG: 4520600 16.6068 -27.3655 56.1738 -27.3655 -13.22 -27.5099 56.1739 -27.5099 7.6973 GPRESSAVG: 4520600 15.0796 -27.7035 54.8864 -27.7998 -12.9398 -29.2005 57.9508 -28.1747 8.8096 TIMING: 4520600 CPU: 13135.1, 0.00289575/step Wall: 13135.1, 0.00289575/step, 0.385618 hours remaining, 208.246094 MB of memory in use. ENERGY: 4520600 749.9305 2120.2320 1988.3612 103.7904 -206591.3078 17903.9886 0.0000 0.0000 34184.9551 -149540.0500 298.5457 -183725.0051 -149447.9809 298.3969 -7.0675 28.3139 556703.6510 3.6947 3.6498 PRESSURE: 4520800 -120.766 -59.4763 127.594 -59.4761 -82.585 -65.0765 127.593 -65.0749 -22.4398 GPRESSURE: 4520800 -126.994 -86.3656 26.2801 -80.2323 13.1661 -143.293 151.135 -32.264 -0.341627 PRESSAVG: 4520800 0.582529 -54.3834 6.83012 -54.3834 25.4613 -30.4367 6.83012 -30.4367 -12.8915 GPRESSAVG: 4520800 2.95874 -53.4514 9.30257 -54.5262 23.67 -32.2786 5.957 -27.4202 -12.5865 TIMING: 4520800 CPU: 13135.7, 0.00288368/step Wall: 13135.7, 0.00288368/step, 0.38385 hours remaining, 208.246094 MB of memory in use. ENERGY: 4520800 737.1897 2119.3848 1984.9837 102.5169 -206391.1871 17745.2581 0.0000 0.0000 34312.6753 -149389.1785 299.6611 -183701.8538 -149290.8435 298.7815 -75.2637 -38.0565 557713.8119 4.3841 4.6807 PRESSURE: 4521000 -35.0647 52.9042 61.2597 52.904 263.362 -14.0309 61.2594 -14.0305 107.926 GPRESSURE: 4521000 -5.00102 101.974 44.798 57.8486 277.215 -55.0257 12.4669 -31.5924 164.926 PRESSAVG: 4521000 -133.014 28.63 14.8502 28.6299 27.4702 79.3602 14.8502 79.3601 29.3418 GPRESSAVG: 4521000 -133.856 27.3152 14.2622 28.1651 28.9009 78.9495 14.1646 78.1731 28.4307 TIMING: 4521000 CPU: 13136.3, 0.00290902/step Wall: 13136.3, 0.00290902/step, 0.387061 hours remaining, 208.390625 MB of memory in use. ENERGY: 4521000 716.1026 2148.8843 2003.8015 111.8693 -206587.4259 18078.2098 0.0000 0.0000 34247.4201 -149281.1383 299.0912 -183528.5583 -149185.1904 298.6145 112.0744 145.7132 558655.8031 -25.4007 -25.5083 PRESSURE: 4521200 -192.811 -22.8438 47.3504 -22.8433 69.4921 -85.5541 47.3522 -85.5547 289.761 GPRESSURE: 4521200 -157.619 -80.1513 69.9004 -9.69227 104.301 -24.9195 109.048 -99.2817 305.995 PRESSAVG: 4521200 -24.6743 12.2877 20.701 12.2878 -44.9576 8.34233 20.7011 8.34234 46.7264 GPRESSAVG: 4521200 -24.474 12.265 18.1074 14.4491 -45.6594 9.25056 22.233 8.62797 47.4464 TIMING: 4521200 CPU: 13136.9, 0.00291124/step Wall: 13136.9, 0.00291124/step, 0.387195 hours remaining, 208.390625 MB of memory in use. ENERGY: 4521200 755.6447 2083.3084 1966.6066 97.4860 -206464.2667 17923.8999 0.0000 0.0000 34419.9445 -149217.3766 300.5979 -183637.3211 -149130.3291 299.2284 55.4808 84.2258 558013.0131 -7.6351 -7.5623 PRESSURE: 4521400 77.9265 43.3393 45.942 43.339 158.024 -13.4686 45.9407 -13.4697 244.107 GPRESSURE: 4521400 103.556 54.5941 -37.3078 119.967 197.512 -153.024 3.78776 55.1788 268.18 PRESSAVG: 4521400 20.1552 -27.3418 -28.5933 -27.3418 -89.0254 -51.5536 -28.5933 -51.5538 47.8986 GPRESSAVG: 4521400 19.7217 -26.7438 -29.1203 -26.9818 -87.9237 -52.1238 -28.3332 -52.7084 46.8291 TIMING: 4521400 CPU: 13137.4, 0.00290418/step Wall: 13137.4, 0.00290418/step, 0.386094 hours remaining, 208.390625 MB of memory in use. ENERGY: 4521400 742.6270 2057.7446 1981.9614 107.3173 -206337.3408 18172.6835 0.0000 0.0000 34259.1823 -149015.8247 299.1940 -183275.0070 -148925.9877 299.4085 160.0193 189.7494 558148.0975 -6.9905 -7.1243 PRESSURE: 4521600 -101.941 -45.6766 4.63393 -45.6762 -218.242 -88.9733 4.63348 -88.9714 -247.037 GPRESSURE: 4521600 -93.6484 -47.9224 24.5677 -96.032 -148.657 -148.977 -30.5841 -13.2869 -226.256 PRESSAVG: 4521600 -8.5758 -10.2503 35.3814 -10.2502 -26.9345 12.6526 35.3813 12.6527 42.3434 GPRESSAVG: 4521600 -8.64396 -9.60203 38.4601 -13.7262 -27.98 13.7663 35.2443 12.7658 43.6214 TIMING: 4521600 CPU: 13138, 0.00289845/step Wall: 13138, 0.00289845/step, 0.385171 hours remaining, 208.390625 MB of memory in use. ENERGY: 4521600 782.1127 2060.7381 1966.0469 119.0433 -205891.6076 17729.2995 0.0000 0.0000 34017.7971 -149216.5699 297.0859 -183234.3670 -149123.3964 299.1032 -189.0735 -156.1871 558196.5185 2.2777 2.3325 PRESSURE: 4521800 24.2072 -103.179 6.89213 -103.177 191.985 23.6039 6.8925 23.6042 75.4819 GPRESSURE: 4521800 98.657 -86.7491 62.2456 -33.506 186.047 36.9086 32.5851 22.1745 90.7643 PRESSAVG: 4521800 -19.3861 13.9933 1.57984 13.9934 -34.2132 -21.5635 1.5798 -21.5634 30.1911 GPRESSAVG: 4521800 -18.591 12.8045 1.87934 15.9025 -34.8229 -21.5254 -1.83933 -22.4341 29.8413 TIMING: 4521800 CPU: 13138.6, 0.00289872/step Wall: 13138.6, 0.00289872/step, 0.385046 hours remaining, 208.390625 MB of memory in use. ENERGY: 4521800 718.3393 2025.2514 1969.4666 106.5258 -206121.2919 17880.8428 0.0000 0.0000 34280.3068 -149140.5592 299.3784 -183420.8660 -149041.1695 298.0000 97.2247 125.1562 557468.7824 -7.8028 -7.8575 PRESSURE: 4522000 -70.1971 -83.796 -41.1963 -83.7954 -133.678 -221.424 -41.1965 -221.422 39.5791 GPRESSURE: 4522000 -40.7337 -91.1703 -29.0242 -91.4995 -71.1463 -234.789 -116.626 -211.915 37.7567 PRESSAVG: 4522000 -9.60713 -65.5989 0.235788 -65.5989 -39.3357 -20.405 0.235751 -20.4048 4.60136 GPRESSAVG: 4522000 -10.0386 -66.1053 -0.736954 -64.7944 -38.3132 -22.7762 3.15339 -17.6636 4.30877 TIMING: 4522000 CPU: 13139.2, 0.00289211/step Wall: 13139.2, 0.00289211/step, 0.384007 hours remaining, 208.390625 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: 4522000 720.1769 2111.2406 1963.0753 117.2082 -205973.4898 17632.6162 0.0000 0.0000 34310.3362 -149118.8364 299.6407 -183429.1727 -149026.2778 299.1628 -54.7654 -24.7078 557334.1643 -14.7805 -14.6810 PRESSURE: 4522200 25.6825 37.8696 -68.2716 37.8694 164.647 12.0279 -68.2716 12.0282 -28.9986 GPRESSURE: 4522200 60.9316 -0.741624 -87.3881 86.9169 206.166 -2.20773 43.7382 -116.243 -10.5508 PRESSAVG: 4522200 39.7159 36.4676 33.049 36.4676 23.5446 -12.2098 33.049 -12.2097 9.46371 GPRESSAVG: 4522200 39.7813 35.03 31.7506 36.1987 22.8015 -9.95861 33.3226 -13.4523 9.97024 TIMING: 4522200 CPU: 13139.8, 0.00289892/step Wall: 13139.8, 0.00289892/step, 0.384751 hours remaining, 208.390625 MB of memory in use. ENERGY: 4522200 747.9401 2071.3239 1933.9281 111.6175 -206482.8507 18075.1757 0.0000 0.0000 34377.6281 -149165.2372 300.2284 -183542.8654 -149066.5639 299.7984 53.7770 85.5155 557802.7609 24.2414 24.1843 PRESSURE: 4522400 -96.4217 -56.0929 157.578 -56.0919 -323.346 60.3536 157.579 60.353 38.3794 GPRESSURE: 4522400 -83.4046 -36.5484 88.4983 -8.33999 -261.101 122.549 185.804 52.0328 63.9564 PRESSAVG: 4522400 31.369 24.2257 43.6271 24.2256 -58.7805 -4.5615 43.6271 -4.56146 12.1721 GPRESSAVG: 4522400 30.474 25.9933 44.1758 23.7991 -58.0534 -4.08066 43.2385 -5.82595 12.3359 TIMING: 4522400 CPU: 13140.3, 0.00290086/step Wall: 13140.3, 0.00290086/step, 0.384848 hours remaining, 208.390625 MB of memory in use. ENERGY: 4522400 738.0943 2106.9809 1957.5897 124.8738 -205938.7372 17609.0470 0.0000 0.0000 34048.2478 -149353.9038 297.3518 -183402.1516 -149258.4576 299.1476 -127.1295 -93.5163 559177.4024 -5.0798 -5.0811 PRESSURE: 4522600 -142.156 8.98998 -162.272 8.98869 409.639 -141.925 -162.27 -141.926 195.697 GPRESSURE: 4522600 -109.336 -19.1457 -133.038 -34.7295 447.143 -161.939 -261.123 -142.811 212.757 PRESSAVG: 4522600 -11.5853 -51.2846 62.2213 -51.2846 38.8586 -6.95878 62.2214 -6.95876 -14.9529 GPRESSAVG: 4522600 -10.8726 -50.3411 62.4839 -52.9835 38.7784 -7.00808 60.5195 -6.72088 -15.8568 TIMING: 4522600 CPU: 13140.9, 0.00291521/step Wall: 13140.9, 0.00291521/step, 0.386589 hours remaining, 208.390625 MB of memory in use. ENERGY: 4522600 714.2140 2054.5164 1977.9071 130.7035 -206574.7275 18110.3299 0.0000 0.0000 34242.9687 -149344.0879 299.0524 -183587.0566 -149248.8350 298.5123 154.3936 183.5215 557682.4289 4.1068 4.0163 PRESSURE: 4522800 -26.8399 85.15 -20.728 85.1502 -44.7736 60.0884 -20.7281 60.0878 -108.476 GPRESSURE: 4522800 15.8548 100.712 -37.1941 67.271 1.51451 12.3738 -72.0674 75.9927 -106.924 PRESSAVG: 4522800 27.6447 -24.4834 -6.65041 -24.4835 -16.7718 11.1025 -6.65038 11.1025 9.50128 GPRESSAVG: 4522800 27.219 -24.8454 -8.41538 -22.1008 -16.7142 10.5989 -5.33865 11.634 9.76429 TIMING: 4522800 CPU: 13141.5, 0.00290668/step Wall: 13141.5, 0.00290668/step, 0.385296 hours remaining, 208.390625 MB of memory in use. ENERGY: 4522800 703.3125 2078.6060 1976.5795 110.6569 -206611.0587 18007.9273 0.0000 0.0000 34338.8038 -149395.1727 299.8893 -183733.9765 -149303.0100 298.5122 -60.0298 -29.8514 559356.3778 6.7914 6.7564 PRESSURE: 4523000 -135.725 19.31 -6.15595 19.3112 -370.93 41.3204 -6.15578 41.3214 -83.9769 GPRESSURE: 4523000 -137.656 -13.6474 128.717 24.7587 -366.967 15.5564 -58.3116 145.322 3.18327 PRESSAVG: 4523000 24.2484 41.6367 -27.8344 41.6367 -38.2143 32.5089 -27.8345 32.509 -22.0239 GPRESSAVG: 4523000 24.2711 40.309 -27.2313 41.4064 -37.9629 31.3914 -26.3941 34.6463 -22.605 TIMING: 4523000 CPU: 13142.1, 0.00289732/step Wall: 13142.1, 0.00289732/step, 0.383895 hours remaining, 208.390625 MB of memory in use. ENERGY: 4523000 791.2362 2068.4463 1953.7865 101.5217 -206583.4539 17956.2959 0.0000 0.0000 34225.4460 -149486.7214 298.8993 -183712.1674 -149386.4553 298.0673 -196.8772 -167.1468 559814.4714 -11.9966 -12.0989 PRESSURE: 4523200 -134.129 189.836 -101.287 189.835 -115.465 -38.2288 -101.288 -38.228 128.732 GPRESSURE: 4523200 -120.607 135.943 -101.626 182.381 -105.575 20.5301 -93.5082 -89.7111 198.433 PRESSAVG: 4523200 -34.8604 -22.108 -33.6474 -22.108 3.90926 -28.081 -33.6472 -28.0809 52.0828 GPRESSAVG: 4523200 -35.5529 -22.2517 -33.8943 -20.5988 3.27809 -26.7093 -33.8626 -28.0194 52.9548 TIMING: 4523200 CPU: 13142.7, 0.00288574/step Wall: 13142.7, 0.00288574/step, 0.382201 hours remaining, 208.390625 MB of memory in use. ENERGY: 4523200 757.9366 2073.2928 1937.0661 110.7366 -206379.4191 17963.8282 0.0000 0.0000 34135.3969 -149401.1618 298.1129 -183536.5587 -149315.5934 298.2457 -40.2874 -9.2497 558976.7506 7.0439 6.8934 PRESSURE: 4523400 -364.825 -81.4191 18.8657 -81.4195 212.048 5.21481 18.8654 5.21341 -302.022 GPRESSURE: 4523400 -298.471 -48.9346 42.8165 -82.9183 203.932 45.6591 -10.4188 49.2571 -256.116 PRESSAVG: 4523400 -58.5772 -8.18263 19.3277 -8.18272 78.2386 -37.1314 19.3276 -37.1314 -7.80918 GPRESSAVG: 4523400 -57.9823 -6.71247 20.0009 -10.7982 78.6564 -36.8492 16.3838 -39.4549 -8.49231 TIMING: 4523400 CPU: 13143.2, 0.00289066/step Wall: 13143.2, 0.00289066/step, 0.382691 hours remaining, 208.390625 MB of memory in use. ENERGY: 4523400 737.3106 2014.7855 1965.9691 106.6438 -206027.0698 17625.9228 0.0000 0.0000 34319.6760 -149256.7619 299.7223 -183576.4379 -149156.3741 298.9188 -151.5997 -116.8851 558161.8631 3.9507 4.0606 PRESSURE: 4523600 179.824 -32.9603 -9.08208 -32.9603 -27.9388 22.1883 -9.08174 22.1882 449.521 GPRESSURE: 4523600 190.756 -44.6608 43.7644 -49.2134 12.4802 13.1561 8.59676 30.3985 486.784 PRESSAVG: 4523600 -33.6179 1.89228 -48.0829 1.89223 13.5213 -1.11445 -48.0828 -1.11445 -2.6482 GPRESSAVG: 4523600 -34.1776 1.03191 -48.0317 2.56738 13.7827 -3.03798 -46.6435 0.657245 -2.56924 TIMING: 4523600 CPU: 13143.8, 0.00289409/step Wall: 13143.8, 0.00289409/step, 0.382985 hours remaining, 208.390625 MB of memory in use. ENERGY: 4523600 751.6051 2008.3550 1955.8432 132.5886 -206612.9607 18190.5868 0.0000 0.0000 34194.0215 -149379.9605 298.6249 -183573.9820 -149293.9987 298.7486 200.4688 230.0066 557604.0880 -7.5816 -7.6547 PRESSURE: 4523800 -80.2096 72.5705 15.6725 72.5711 383.592 -193.989 15.6739 -193.988 8.42889 GPRESSURE: 4523800 -70.4045 166.055 -23.352 35.9222 412.557 -157.031 48.0982 -149.347 67.5386 PRESSAVG: 4523800 -85.5107 -22.0095 -33.6401 -22.0094 2.18309 -78.8142 -33.6401 -78.8141 51.9022 GPRESSAVG: 4523800 -84.6134 -21.7479 -34.1418 -22.9412 2.19842 -77.746 -34.6629 -78.8667 50.3858 TIMING: 4523800 CPU: 13144.4, 0.00288397/step Wall: 13144.4, 0.00288397/step, 0.381486 hours remaining, 208.390625 MB of memory in use. ENERGY: 4523800 725.3122 2040.3192 1970.2331 113.9653 -206660.4693 18005.3485 0.0000 0.0000 34410.3241 -149394.9669 300.5139 -183805.2910 -149299.8335 298.6520 103.9371 136.5637 557001.9169 -10.4751 -10.6764 PRESSURE: 4524000 -107.477 -23.4522 -124.036 -23.4522 -144.202 57.1679 -124.036 57.1683 -54.2571 GPRESSURE: 4524000 -70.672 -63.744 -149.038 -30.188 -188.408 87.2828 -50.2486 37.1529 49.5299 PRESSAVG: 4524000 2.55067 -29.6788 -4.1227 -29.6789 -29.2133 -50.1797 -4.12269 -50.1797 10.253 GPRESSAVG: 4524000 2.53714 -31.0395 -3.49062 -29.7761 -29.141 -50.2697 -2.63292 -49.6561 10.2442 TIMING: 4524000 CPU: 13145, 0.00288819/step Wall: 13145, 0.00288819/step, 0.381883 hours remaining, 208.390625 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: 4524000 762.2109 2066.9137 1945.4632 112.3402 -206583.4354 17827.8666 0.0000 0.0000 34480.2502 -149388.3907 301.1246 -183868.6409 -149294.8710 298.6081 -101.9785 -69.8499 557836.4835 -5.4699 -5.4532 PRESSURE: 4524200 -32.5154 -11.9664 37.4234 -11.9651 36.5708 -35.9294 37.4239 -35.9309 -197.431 GPRESSURE: 4524200 11.8645 19.9734 127.751 -3.99111 73.925 -30.6534 -6.66045 -8.57592 -202.863 PRESSAVG: 4524200 71.1771 -21.5656 21.512 -21.5656 -64.9599 -26.1784 21.5119 -26.1784 12.1711 GPRESSAVG: 4524200 71.6329 -21.8396 21.7242 -19.2822 -65.3154 -25.4362 19.2728 -28.1346 11.9231 TIMING: 4524200 CPU: 13145.6, 0.00289507/step Wall: 13145.6, 0.00289507/step, 0.382632 hours remaining, 208.390625 MB of memory in use. ENERGY: 4524200 744.7911 2022.1821 1978.8026 124.5086 -206210.8870 17646.5853 0.0000 0.0000 34382.6084 -149311.4090 300.2719 -183694.0174 -149214.7244 298.9543 -64.4584 -39.0244 556451.7088 6.1294 6.0802 LDB: ============= START OF LOAD BALANCING ============== 13149 LDB: ============== END OF LOAD BALANCING =============== 13149 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13149 LDB: ============= START OF LOAD BALANCING ============== 13149.3 LDB: Largest compute 4848 load 0.029447 is 25.0% of average load 0.117802 LDB: Average compute 0.001742 is 1.5% of average load 0.117802 LDB: TIME 13149.3 LOAD: AVG 0.117802 MAX 0.181258 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 13149.3 LOAD: AVG 0.117802 MAX 0.181258 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.859 MB LDB: TIME 13149.3 LOAD: AVG 0.117802 MAX 0.181258 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13149.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13149.3 PRESSURE: 4524400 -186.762 25.2555 -7.49583 25.2549 -81.5122 -7.97989 -7.49674 -7.97951 -124.536 GPRESSURE: 4524400 -178.004 48.5948 46.5704 26.5077 -12.6984 -11.8963 -89.1695 28.1886 -98.7134 PRESSAVG: 4524400 5.52838 68.1176 7.83044 68.1176 -76.8007 -94.7506 7.83047 -94.7506 61.7393 GPRESSAVG: 4524400 4.62597 70.4711 7.94348 66.6797 -75.2834 -95.1653 9.98366 -94.0587 60.9301 TIMING: 4524400 CPU: 13146.1, 0.00295286/step Wall: 13146.1, 0.00295286/step, 0.390105 hours remaining, 208.445312 MB of memory in use. ENERGY: 4524400 783.5025 2072.4954 1970.6526 116.7860 -206065.6643 17705.3758 0.0000 0.0000 34213.7114 -149203.1406 298.7969 -183416.8520 -149103.6701 298.7998 -130.9369 -96.4721 557058.6001 -3.1777 -3.2425 PRESSURE: 4524600 0.172063 9.78462 104.101 9.78533 -53.1036 167.202 104.102 167.202 90.8442 GPRESSURE: 4524600 21.3526 -11.5035 160.824 90.732 22.6743 181.562 78.3626 130.164 92.6092 PRESSAVG: 4524600 -17.5587 26.4128 -3.37932 26.4128 -12.4312 6.56539 -3.37933 6.56522 56.4124 GPRESSAVG: 4524600 -17.1683 24.6373 -3.92345 26.5338 -14.2709 6.29945 -3.71805 4.96101 57.155 TIMING: 4524600 CPU: 13146.7, 0.00289914/step Wall: 13146.7, 0.00289914/step, 0.382848 hours remaining, 208.445312 MB of memory in use. ENERGY: 4524600 741.2701 2062.9770 1956.0088 110.5889 -206614.5525 17974.2348 0.0000 0.0000 34375.3389 -149394.1341 300.2084 -183769.4730 -149293.3482 299.6427 12.6375 45.5454 555179.2841 8.8075 8.5719 PRESSURE: 4524800 196.177 15.8447 111.141 15.8455 115.111 78.3403 111.142 78.3392 181.314 GPRESSURE: 4524800 254.61 50.2924 94.3314 -37.1236 125.587 122.423 127.115 81.0722 205.051 PRESSAVG: 4524800 10.9928 12.3102 1.59781 12.3103 -18.8677 19.1071 1.59769 19.1072 22.0681 GPRESSAVG: 4524800 11.4005 12.7666 0.857966 11.2588 -19.1721 18.9494 1.47411 21.5943 22.1257 TIMING: 4524800 CPU: 13147.3, 0.0028976/step Wall: 13147.3, 0.0028976/step, 0.382483 hours remaining, 208.445312 MB of memory in use. ENERGY: 4524800 715.1145 2118.1012 1947.5104 124.1130 -206276.0815 17904.2111 0.0000 0.0000 34184.2660 -149282.7653 298.5397 -183467.0313 -149183.7641 299.0793 164.2005 195.0827 556677.3671 4.7311 4.7847 PRESSURE: 4525000 -122.314 -42.0369 -81.1557 -42.0372 -96.3734 25.319 -81.1557 25.3199 -177.905 GPRESSURE: 4525000 -102.95 -13.9537 -62.9818 -45.2715 -59.0959 22.8393 -122.099 -0.926767 -117.108 PRESSAVG: 4525000 -3.55395 23.3055 -25.2746 23.3055 0.890146 18.1519 -25.2747 18.152 -11.852 GPRESSAVG: 4525000 -4.48166 22.9668 -24.2212 21.9901 1.10979 17.0082 -25.7055 17.3953 -10.8348 TIMING: 4525000 CPU: 13147.9, 0.0029081/step Wall: 13147.9, 0.0029081/step, 0.383707 hours remaining, 208.445312 MB of memory in use. ENERGY: 4525000 762.1680 2099.5658 1952.4597 119.2425 -206286.4931 17727.6999 0.0000 0.0000 34512.7848 -149112.5725 301.4087 -183625.3573 -149018.2977 299.3762 -132.1973 -93.0512 557536.5588 -4.8386 -4.7356 PRESSURE: 4525200 -231.3 155.919 -58.2174 155.919 -126.889 -60.448 -58.2176 -60.4462 -56.7973 GPRESSURE: 4525200 -234.448 144.64 -88.8187 177.228 -66.2119 -100.058 -123.32 -53.6777 -27.8353 PRESSAVG: 4525200 -24.3005 14.9396 -19.6041 14.9395 -24.4994 -49.119 -19.6041 -49.1189 108.644 GPRESSAVG: 4525200 -23.5422 14.7566 -20.5867 15.4747 -23.5409 -47.5026 -20.1325 -49.9308 106.827 TIMING: 4525200 CPU: 13148.5, 0.00290518/step Wall: 13148.5, 0.00290518/step, 0.383161 hours remaining, 208.445312 MB of memory in use. ENERGY: 4525200 767.0531 2056.2164 1968.4506 119.4448 -206092.6764 17764.1277 0.0000 0.0000 34344.0382 -149073.3455 299.9350 -183417.3837 -148970.8637 300.1897 -138.3290 -109.4985 557786.7791 19.9479 19.9147 PRESSURE: 4525400 21.6633 -85.0381 24.0229 -85.0381 -309.695 -103.904 24.0219 -103.905 -25.2669 GPRESSURE: 4525400 38.8986 -40.8151 107.858 -112.219 -245.689 -47.1616 -67.2122 3.46252 -18.3873 PRESSAVG: 4525400 -25.0089 25.6165 -57.8137 25.6166 -50.3019 14.769 -57.8138 14.769 51.3125 GPRESSAVG: 4525400 -24.9117 25.7174 -56.473 26.8996 -50.1539 13.3406 -58.0813 15.0628 51.2443 TIMING: 4525400 CPU: 13149.1, 0.00290116/step Wall: 13149.1, 0.00290116/step, 0.38247 hours remaining, 208.445312 MB of memory in use. ENERGY: 4525400 758.2404 2087.6614 1969.1843 107.2681 -206137.9911 17743.2837 0.0000 0.0000 34410.5886 -149061.7647 300.5162 -183472.3533 -148965.2201 299.7460 -104.4330 -75.0593 557492.6796 -7.9994 -7.9405 PRESSURE: 4525600 90.8587 123.218 73.8965 123.216 120.19 -23.4275 73.8966 -23.428 -165.653 GPRESSURE: 4525600 122.941 133.083 113.985 180.627 131.772 -137.927 60.9443 55.0083 -112.13 PRESSAVG: 4525600 10.1907 39.8038 -11.0746 39.8038 -22.6614 -43.054 -11.0745 -43.054 -13.1573 GPRESSAVG: 4525600 10.7145 39.4159 -13.625 37.6101 -23.7686 -42.4774 -9.59531 -44.8255 -12.5274 TIMING: 4525600 CPU: 13149.6, 0.00289736/step Wall: 13149.6, 0.00289736/step, 0.381808 hours remaining, 208.445312 MB of memory in use. ENERGY: 4525600 772.5871 2098.4069 1955.0018 121.9038 -206179.8579 17818.5586 0.0000 0.0000 34199.5531 -149213.8467 298.6732 -183413.3998 -149117.2902 299.7492 15.1317 47.5279 556911.5810 -8.5427 -8.5272 PRESSURE: 4525800 117.881 125.549 84.248 125.55 1.12075 132.816 84.2484 132.816 -481.958 GPRESSURE: 4525800 79.0629 96.3326 156.301 45.8457 45.4526 126.262 51.4276 91.7675 -386.629 PRESSAVG: 4525800 -20.53 37.0611 3.87406 37.0611 10.2692 -17.8852 3.87409 -17.8852 28.5599 GPRESSAVG: 4525800 -21.6732 38.208 6.88494 37.8351 9.90711 -15.5602 2.60462 -17.4214 29.5068 TIMING: 4525800 CPU: 13150.2, 0.00290398/step Wall: 13150.2, 0.00290398/step, 0.382519 hours remaining, 208.445312 MB of memory in use. ENERGY: 4525800 731.7646 2118.7342 1956.2178 120.1802 -205942.7034 17684.6928 0.0000 0.0000 34164.7164 -149166.3973 298.3690 -183331.1138 -149070.0767 299.2451 -120.9853 -87.3710 558856.4849 6.0997 5.9136 PRESSURE: 4526000 -68.4849 -31.3713 -152.012 -31.3712 8.03891 65.8113 -152.013 65.8098 -141.915 GPRESSURE: 4526000 9.63659 -54.0877 -203.835 5.93531 -9.69445 111.516 -167.858 99.8248 -105.081 PRESSAVG: 4526000 -12.6931 3.32407 -23.5804 3.32392 6.21262 42.0439 -23.5805 42.0439 -54.6397 GPRESSAVG: 4526000 -12.7423 2.82669 -24.9748 4.77233 6.341 40.5816 -22.7005 42.397 -54.8767 TIMING: 4526000 CPU: 13150.8, 0.00289947/step Wall: 13150.8, 0.00289947/step, 0.381764 hours remaining, 208.445312 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: 4526000 709.8910 2094.7879 1994.7004 104.5007 -206089.3740 17565.1114 0.0000 0.0000 34370.9764 -149249.4062 300.1703 -183620.3826 -149155.8618 299.3310 -67.4536 -35.0464 557997.3631 -20.3734 -20.4260 PRESSURE: 4526200 -70.1427 166.36 -8.6688 166.361 -110.808 13.2895 -8.66886 13.2878 -205.838 GPRESSURE: 4526200 -90.0077 176.387 48.5722 96.8934 -65.1454 74.2788 -69.9752 -31.2138 -141.933 PRESSAVG: 4526200 -21.8545 42.5022 1.95612 42.5022 47.1796 25.3718 1.95616 25.3717 -39.1487 GPRESSAVG: 4526200 -21.5707 41.7789 2.07974 41.2407 46.6893 26.2466 2.56534 25.3601 -39.2576 TIMING: 4526200 CPU: 13151.4, 0.002899/step Wall: 13151.4, 0.002899/step, 0.381541 hours remaining, 208.445312 MB of memory in use. ENERGY: 4526200 746.9078 2057.1906 1987.2421 124.7410 -206023.7404 17670.8014 0.0000 0.0000 34229.0524 -149207.8051 298.9308 -183436.8575 -149114.3049 299.0308 -128.9295 -99.0287 557522.6163 -4.6079 -4.7130 PRESSURE: 4526400 -246.253 -128.899 -10.2547 -128.9 30.6955 30.6145 -10.254 30.613 -200.474 GPRESSURE: 4526400 -196.18 -192.57 26.1731 -138.796 49.6126 -37.1508 14.131 -47.0168 -173.666 PRESSAVG: 4526400 -73.5189 -33.2627 -19.0768 -33.2627 42.8865 -7.1961 -19.0769 -7.19587 1.8534 GPRESSAVG: 4526400 -73.1336 -34.5039 -20.0257 -32.2597 44.3559 -8.44061 -18.1318 -6.74139 0.146945 TIMING: 4526400 CPU: 13152, 0.00290768/step Wall: 13152, 0.00290768/step, 0.382521 hours remaining, 208.445312 MB of memory in use. ENERGY: 4526400 787.8462 2064.2691 1949.6819 122.6970 -206084.7436 17598.3237 0.0000 0.0000 34421.1482 -149140.7775 300.6084 -183561.9256 -149051.8280 299.9783 -138.6774 -106.7442 558850.5059 -9.5930 -9.5436 PRESSURE: 4526600 74.1244 50.9256 40.2976 50.9264 182.734 67.79 40.2972 67.7911 -55.0468 GPRESSURE: 4526600 83.6334 -39.4376 52.3826 141.228 216.789 -20.6372 94.8673 104.861 -18.1903 PRESSAVG: 4526600 5.75313 -35.9327 -23.3459 -35.9328 84.9307 -34.1132 -23.346 -34.1133 -122.207 GPRESSAVG: 4526600 5.2057 -36.4287 -23.1795 -35.7204 83.2189 -34.367 -23.2803 -33.7068 -120.913 TIMING: 4526600 CPU: 13152.5, 0.00290603/step Wall: 13152.5, 0.00290603/step, 0.382143 hours remaining, 208.445312 MB of memory in use. ENERGY: 4526600 731.2609 2139.3205 1968.5103 105.4177 -206250.9271 17888.3232 0.0000 0.0000 34242.8338 -149175.2607 299.0512 -183418.0945 -149080.0232 298.6470 67.2706 94.0774 557460.0124 -10.5078 -10.8293 PRESSURE: 4526800 -148.599 167.345 -22.735 167.343 -42.7558 27.8408 -22.7358 27.8412 164.716 GPRESSURE: 4526800 -56.8307 117.2 -59.5656 280.443 -21.0178 47.0186 -31.7751 56.8772 144.875 PRESSAVG: 4526800 -9.03032 -5.47834 -28.1035 -5.47836 11.6767 -9.00613 -28.1035 -9.00605 -26.321 GPRESSAVG: 4526800 -9.0097 -5.49013 -28.4849 -5.54734 12.4957 -8.03766 -28.7826 -8.71622 -26.905 TIMING: 4526800 CPU: 13153.1, 0.00290009/step Wall: 13153.1, 0.00290009/step, 0.3812 hours remaining, 208.445312 MB of memory in use. ENERGY: 4526800 755.1343 2128.4945 1954.6669 103.3072 -206082.2312 17776.3319 0.0000 0.0000 34348.0797 -149016.2168 299.9703 -183364.2964 -148919.9615 299.8188 -8.8798 22.3420 557746.1537 -7.8916 -7.8064 PRESSURE: 4527000 -213.83 28.4567 -28.9614 28.4559 -190.658 -24.4775 -28.9619 -24.477 -24.3042 GPRESSURE: 4527000 -219.545 53.3911 -105.522 25.1862 -136.71 -104.07 5.9227 -60.6025 11.803 PRESSAVG: 4527000 -52.1162 -32.3513 -49.5741 -32.3513 -9.17689 9.72118 -49.5741 9.72108 20.8598 GPRESSAVG: 4527000 -53.0435 -31.0427 -49.8992 -34.3297 -8.87572 8.12488 -49.6569 8.41324 21.6396 TIMING: 4527000 CPU: 13153.7, 0.00294087/step Wall: 13153.7, 0.00294087/step, 0.386397 hours remaining, 208.445312 MB of memory in use. ENERGY: 4527000 823.7937 2167.5607 1968.3555 117.7216 -205462.0707 17472.8064 0.0000 0.0000 34104.9423 -148806.8904 297.8469 -182911.8327 -148708.8862 299.6416 -142.9308 -114.8171 559563.2100 -13.4778 -13.4266 PRESSURE: 4527200 31.8669 -146.83 -135.778 -146.831 46.0996 242.211 -135.779 242.212 25.5687 GPRESSURE: 4527200 74.0675 -114.341 -138.231 -207.925 72.1691 254.735 -93.0653 281.529 50.4485 PRESSAVG: 4527200 16.9109 -44.8827 -26.8222 -44.8826 -77.3973 62.5528 -26.8222 62.5528 61.2516 GPRESSAVG: 4527200 17.5299 -45.0897 -24.564 -43.3688 -79.0484 62.9834 -27.8625 64.8315 61.5931 TIMING: 4527200 CPU: 13154.3, 0.00290864/step Wall: 13154.3, 0.00290864/step, 0.382001 hours remaining, 208.445312 MB of memory in use. ENERGY: 4527200 770.0414 2105.1350 1980.5619 111.6296 -206315.6956 17855.9218 0.0000 0.0000 34503.6720 -148988.7339 301.3291 -183492.4058 -148894.7690 300.2109 34.5117 65.5617 556575.8367 0.2550 0.0249 PRESSURE: 4527400 -52.0406 82.1231 -0.905803 82.1218 -200.883 58.3445 -0.907293 58.344 -130.237 GPRESSURE: 4527400 -31.3623 21.9596 17.3862 133.492 -108.732 62.6709 -5.74836 49.2963 -132.295 PRESSAVG: 4527400 -19.3765 -47.9985 -7.85349 -47.9986 24.816 19.769 -7.85341 19.7691 -59.0675 GPRESSAVG: 4527400 -19.5563 -48.2702 -9.15119 -48.0894 25.7689 20.4075 -6.27524 21.1024 -60.163 TIMING: 4527400 CPU: 13154.9, 0.00290331/step Wall: 13154.9, 0.00290331/step, 0.38114 hours remaining, 208.445312 MB of memory in use. ENERGY: 4527400 793.7613 2038.1408 1982.7432 116.6262 -206287.0456 17792.2296 0.0000 0.0000 34437.1990 -149126.3456 300.7486 -183563.5446 -149031.6171 299.7971 -127.7203 -90.7967 556905.8573 -17.8760 -17.9835 PRESSURE: 4527600 -133.459 -32.264 31.2198 -32.2642 -353.598 -204.395 31.2198 -204.394 -242.171 GPRESSURE: 4527600 -123.526 -30.3621 -0.524697 -45.3428 -340.42 -114.415 48.6941 -222.34 -179.046 PRESSAVG: 4527600 57.9037 -57.5939 -13.8167 -57.5939 -65.032 15.1517 -13.8168 15.1517 46.6529 GPRESSAVG: 4527600 58.3759 -56.4811 -12.2635 -59.3539 -65.561 15.9373 -12.2315 12.4632 47.1466 TIMING: 4527600 CPU: 13155.4, 0.00288889/step Wall: 13155.4, 0.00288889/step, 0.379086 hours remaining, 208.445312 MB of memory in use. ENERGY: 4527600 788.3057 2095.1119 1958.7737 118.1173 -205916.9732 17476.6750 0.0000 0.0000 34451.6691 -149028.3206 300.8750 -183479.9896 -148933.1731 299.6759 -243.0760 -214.3305 557024.8826 13.1748 13.3205 PRESSURE: 4527800 219.408 27.1115 61.873 27.1113 48.4278 -72.7716 61.8734 -72.7704 281.937 GPRESSURE: 4527800 232.287 -17.61 129.449 17.8247 136.465 -150.635 21.3036 -24.995 278.132 PRESSAVG: 4527800 14.8488 30.2055 24.3053 30.2055 27.0112 -60.3559 24.3053 -60.3559 -8.97015 GPRESSAVG: 4527800 14.0973 28.36 22.8224 32.054 26.7647 -61.6037 24.2187 -60.001 -7.92006 TIMING: 4527800 CPU: 13156, 0.00290819/step Wall: 13156, 0.00290819/step, 0.381458 hours remaining, 208.445312 MB of memory in use. ENERGY: 4527800 728.6974 2112.4806 1966.5950 94.0933 -206019.1256 17826.7274 0.0000 0.0000 34270.4373 -149020.0946 299.2923 -183290.5319 -148923.8631 300.1755 183.2574 215.6282 555627.5271 10.9633 10.9806 PRESSURE: 4528000 -74.1958 -113.84 -17.7253 -113.841 -64.097 58.0061 -17.7249 58.006 20.7343 GPRESSURE: 4528000 -112.791 -154.825 -25.6684 -147.002 14.59 78.1312 -59.6639 50.405 56.5527 PRESSAVG: 4528000 42.0726 -37.2404 -14.1318 -37.2404 30.6503 -8.75876 -14.1318 -8.75872 -62.9576 GPRESSAVG: 4528000 43.4842 -35.8294 -13.1239 -36.5936 31.8804 -9.14635 -16.6757 -9.96565 -65.0154 TIMING: 4528000 CPU: 13156.6, 0.00291491/step Wall: 13156.6, 0.00291491/step, 0.382177 hours remaining, 208.445312 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: 4528000 745.7035 2109.0678 1959.8736 120.7085 -206096.4437 17675.7685 0.0000 0.0000 34439.4673 -149045.8547 300.7684 -183485.3220 -148947.8932 299.8760 -39.1862 -13.8829 557338.3686 3.2551 3.4497 PRESSURE: 4528200 -56.298 128.085 -44.2476 128.084 -213.745 1.11215 -44.2474 1.11039 -130.251 GPRESSURE: 4528200 -89.4366 163.637 -82.126 108.401 -111.419 -100.369 -13.3993 42.0034 -105.347 PRESSAVG: 4528200 34.2462 -18.235 -49.8195 -18.2349 13.1919 -51.6207 -49.8195 -51.6206 12.1292 GPRESSAVG: 4528200 32.6722 -18.7878 -48.5381 -19.8053 13.0152 -50.8287 -49.4579 -51.2293 13.6571 TIMING: 4528200 CPU: 13157.2, 0.00290423/step Wall: 13157.2, 0.00290423/step, 0.380615 hours remaining, 208.445312 MB of memory in use. ENERGY: 4528200 768.0309 2095.2759 1950.4906 114.9406 -205709.0028 17557.3434 0.0000 0.0000 34116.6597 -149106.2617 297.9493 -183222.9214 -149010.9306 299.5074 -133.4315 -102.0675 556614.4282 19.8558 19.7815 LDB: ============= START OF LOAD BALANCING ============== 13160.7 LDB: ============== END OF LOAD BALANCING =============== 13160.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13160.7 LDB: ============= START OF LOAD BALANCING ============== 13161 LDB: Largest compute 4848 load 0.029827 is 25.3% of average load 0.117811 LDB: Average compute 0.001749 is 1.5% of average load 0.117811 LDB: TIME 13161 LOAD: AVG 0.117811 MAX 0.179358 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.852 MB LDB: TIME 13161 LOAD: AVG 0.117811 MAX 0.179358 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: TIME 13161 LOAD: AVG 0.117811 MAX 0.179358 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.055 MB LDB: ============== END OF LOAD BALANCING =============== 13161 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13161 PRESSURE: 4528400 130.206 -38.1882 67.7353 -38.1883 -86.635 16.8878 67.7342 16.8879 -49.7683 GPRESSURE: 4528400 182.828 -89.5062 48.7073 -108.993 -124.315 -16.4065 47.5963 20.0184 23.2952 PRESSAVG: 4528400 55.0383 26.1962 29.0326 26.1962 48.907 -14.6835 29.0326 -14.6837 -57.4822 GPRESSAVG: 4528400 55.583 26.1946 26.9269 25.2311 48.6343 -12.7767 28.8966 -14.7604 -57.9918 TIMING: 4528400 CPU: 13157.8, 0.00297763/step Wall: 13157.8, 0.00297763/step, 0.390069 hours remaining, 206.843750 MB of memory in use. ENERGY: 4528400 759.6285 2037.6842 1980.4914 135.8442 -206097.1575 17786.9389 0.0000 0.0000 34448.1428 -148948.4275 300.8442 -183396.5703 -148849.7037 300.0134 -2.0657 27.2694 556506.2693 15.4877 15.4085 PRESSURE: 4528600 210.704 -209.269 172.078 -209.269 -5.37882 -48.108 172.08 -48.107 -139.931 GPRESSURE: 4528600 278.946 -181.814 245.537 -228.929 7.25701 -11.7777 152.972 -75.4802 -133.507 PRESSAVG: 4528600 60.4784 -16.9586 -31.3112 -16.9587 -99.2512 -8.50415 -31.3111 -8.50424 -0.58865 GPRESSAVG: 4528600 61.7442 -15.157 -28.7959 -18.114 -100.115 -10.7793 -31.0684 -9.45328 -1.30192 TIMING: 4528600 CPU: 13158.4, 0.00290596/step Wall: 13158.4, 0.00290596/step, 0.38052 hours remaining, 206.843750 MB of memory in use. ENERGY: 4528600 782.9849 2137.2546 1936.2746 105.3669 -206280.5902 17944.1629 0.0000 0.0000 34483.3573 -148891.1889 301.1517 -183374.5462 -148794.6894 300.2878 21.7980 50.8988 558102.9853 -13.1205 -13.2244 PRESSURE: 4528800 76.6572 -28.354 56.7154 -28.3537 -14.0634 221.992 56.7159 221.991 -28.6167 GPRESSURE: 4528800 98.9688 -60.4056 67.9351 29.4649 -4.65028 137.618 37.0705 97.9148 24.5355 PRESSAVG: 4528800 67.2436 -3.84507 2.91657 -3.84506 -7.72134 8.39877 2.91665 8.3988 -23.9394 GPRESSAVG: 4528800 66.4655 -7.36888 1.58407 0.0775879 -5.99998 7.68474 3.22724 10.486 -24.4682 TIMING: 4528800 CPU: 13158.9, 0.00289924/step Wall: 13158.9, 0.00289924/step, 0.379479 hours remaining, 207.046875 MB of memory in use. ENERGY: 4528800 761.7945 2049.8113 1951.5995 108.4294 -206386.8958 17798.8790 0.0000 0.0000 34521.7027 -149194.6793 301.4866 -183716.3820 -149097.6106 299.8776 11.3257 39.6180 555462.2766 11.8609 11.9991 PRESSURE: 4529000 2.04836 71.2102 120.3 71.2106 25.2328 98.2612 120.3 98.2637 -260.981 GPRESSURE: 4529000 28.4643 104.563 234.732 6.12739 30.3148 171.92 99.5302 49.0872 -202.211 PRESSAVG: 4529000 7.58069 -27.0866 46.8409 -27.0866 12.1653 60.5387 46.8408 60.5387 -49.2558 GPRESSAVG: 4529000 7.48051 -24.403 45.8183 -29.8678 10.6417 61.2228 47.7673 60.433 -47.8431 TIMING: 4529000 CPU: 13159.5, 0.00291168/step Wall: 13159.5, 0.00291168/step, 0.380945 hours remaining, 207.046875 MB of memory in use. ENERGY: 4529000 745.3231 2064.7343 1985.4048 110.6839 -205788.1102 17579.5730 0.0000 0.0000 34127.0321 -149175.3589 298.0399 -183302.3910 -149070.8398 299.6144 -77.9000 -47.8107 559397.8838 -9.8366 -9.9070 PRESSURE: 4529200 -0.966875 83.9877 70.5601 83.9873 -21.0544 79.2383 70.5599 79.2384 -341.085 GPRESSURE: 4529200 3.37884 35.5287 90.6474 -10.2898 21.5261 36.0623 68.7119 77.5232 -293.192 PRESSAVG: 4529200 7.90623 47.1909 45.2432 47.191 9.88245 -3.0866 45.2431 -3.08662 -23.3049 GPRESSAVG: 4529200 6.60067 46.8549 45.5466 47.7163 10.1332 -5.78244 44.632 -3.08717 -22.5015 TIMING: 4529200 CPU: 13160.1, 0.00289476/step Wall: 13160.1, 0.00289476/step, 0.378571 hours remaining, 207.046875 MB of memory in use. ENERGY: 4529200 717.5729 2113.8025 1941.5414 118.0848 -206018.9506 17686.5957 0.0000 0.0000 34108.5942 -149332.7592 297.8788 -183441.3534 -149235.1536 299.5264 -121.0353 -89.4289 559313.7360 -1.8387 -1.9226 PRESSURE: 4529400 -297.106 -13.286 47.2927 -13.2861 -352.618 -63.8901 47.2926 -63.8899 236.452 GPRESSURE: 4529400 -264.592 -26.2194 130.735 16.5141 -302.176 -61.1847 47.7636 -11.8259 235.939 PRESSAVG: 4529400 -23.6689 34.6987 71.6532 34.6988 57.9112 7.73811 71.6532 7.73803 22.8269 GPRESSAVG: 4529400 -22.5909 34.7818 73.56 35.8415 58.4396 8.38265 70.5794 8.73557 20.976 TIMING: 4529400 CPU: 13160.7, 0.00288494/step Wall: 13160.7, 0.00288494/step, 0.377126 hours remaining, 207.046875 MB of memory in use. ENERGY: 4529400 757.9070 2139.7340 1954.1942 119.7744 -206612.2887 17964.0318 0.0000 0.0000 34386.0936 -149290.5536 300.3023 -183676.6473 -149188.0734 298.9803 -137.7573 -110.2764 558622.1310 19.0231 18.9416 PRESSURE: 4529600 146.235 0.154956 3.81678 0.154021 -221.55 -127.214 3.81674 -127.213 -4.07661 GPRESSURE: 4529600 168.477 -28.5045 -32.8801 -36.6167 -171.308 -75.1698 -9.26549 -157.117 29.9871 PRESSAVG: 4529600 -21.7909 -6.10151 35.3871 -6.1015 -28.4738 -46.1432 35.387 -46.1432 8.4079 GPRESSAVG: 4529600 -23.4841 -9.59475 35.6442 -4.71078 -27.9613 -43.0916 35.7685 -49.5604 9.53029 TIMING: 4529600 CPU: 13161.3, 0.00290311/step Wall: 13161.3, 0.00290311/step, 0.37934 hours remaining, 207.046875 MB of memory in use. ENERGY: 4529600 744.5431 2118.8810 1972.1062 105.6112 -206181.2871 17730.5175 0.0000 0.0000 34351.6896 -149157.9386 300.0018 -183509.6282 -149054.9454 299.3662 -26.4637 9.0520 557368.4808 -13.9523 -13.9717 PRESSURE: 4529800 143.999 116.303 -32.2194 116.303 16.0394 112.929 -32.2197 112.929 3.88711 GPRESSURE: 4529800 166.498 55.5738 5.10961 156.544 72.4708 151.433 -49.0066 162.564 18.5214 PRESSAVG: 4529800 37.6179 13.3825 -4.629 13.3825 -64.8257 63.1491 -4.62908 63.1491 7.11768 GPRESSAVG: 4529800 37.8606 16.2096 -6.24151 12.1681 -65.1311 61.1385 -3.41443 64.8771 7.30074 TIMING: 4529800 CPU: 13161.8, 0.00292828/step Wall: 13161.8, 0.00292828/step, 0.382466 hours remaining, 207.046875 MB of memory in use. ENERGY: 4529800 731.8313 2133.1514 1975.3626 108.7319 -206093.7917 17902.4618 0.0000 0.0000 34198.0441 -149044.2086 298.6600 -183242.2527 -148942.1387 299.4737 54.6418 85.8299 559041.8389 -6.6967 -6.6566 PRESSURE: 4530000 -361.808 -24.9013 75.8798 -24.9027 0.260131 -145.746 75.8793 -145.747 -6.91847 GPRESSURE: 4530000 -344.446 34.0582 -0.413007 -72.2561 44.1656 -165.099 39.2898 -210.542 27.9808 PRESSAVG: 4530000 -60.052 38.6211 -35.8593 38.6211 31.5765 49.7505 -35.8594 49.7505 42.5761 GPRESSAVG: 4530000 -59.3968 38.4388 -34.4264 35.7275 30.8642 50.666 -36.9497 49.8003 42.354 TIMING: 4530000 CPU: 13162.4, 0.00292409/step Wall: 13162.4, 0.00292409/step, 0.381756 hours remaining, 207.046875 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: 4530000 724.3189 2133.3836 1994.6570 116.2094 -205953.4890 17650.4840 0.0000 0.0000 34210.6850 -149123.7511 298.7704 -183334.4362 -149026.6507 299.3795 -122.8220 -90.7664 560216.7758 4.7002 4.6071 PRESSURE: 4530200 77.6217 64.5154 22.8018 64.5157 42.9623 47.1313 22.8018 47.1331 211.904 GPRESSURE: 4530200 73.002 70.3194 38.1016 58.5929 126.185 87.6793 66.7545 89.4098 230.278 PRESSAVG: 4530200 -28.6179 21.4623 -17.1563 21.4623 24.6371 -14.4006 -17.1562 -14.4006 -38.635 GPRESSAVG: 4530200 -27.6664 22.3887 -20.0148 24.3482 24.6312 -14.6536 -14.5542 -13.9323 -39.0794 TIMING: 4530200 CPU: 13163, 0.00292269/step Wall: 13163, 0.00292269/step, 0.381411 hours remaining, 207.046875 MB of memory in use. ENERGY: 4530200 793.2895 2129.1456 1970.2035 108.8772 -206464.3143 18242.3630 0.0000 0.0000 34150.9796 -149069.4560 298.2490 -183220.4355 -148975.8713 299.2854 110.8293 143.1548 558563.7281 -14.2053 -14.0382 PRESSURE: 4530400 -149.603 231.809 66.9467 231.81 48.99 48.2702 66.9466 48.2695 24.4846 GPRESSURE: 4530400 -113.871 171.368 63.3302 175.157 59.2877 1.53106 123.068 50.5006 78.6631 PRESSAVG: 4530400 -29.1665 36.4607 -22.5521 36.4608 44.1477 83.6205 -22.5521 83.6204 -6.46123 GPRESSAVG: 4530400 -29.6506 36.9083 -17.967 36.3301 44.7008 82.1753 -26.9036 84.5522 -5.97227 TIMING: 4530400 CPU: 13163.6, 0.00290391/step Wall: 13163.6, 0.00290391/step, 0.378799 hours remaining, 207.046875 MB of memory in use. ENERGY: 4530400 792.8019 2084.0517 1975.9801 127.6863 -206159.6330 17906.3376 0.0000 0.0000 34188.8399 -149083.9356 298.5796 -183272.7754 -148997.0284 299.5247 -25.3762 8.0267 558456.2195 2.8400 3.0260 PRESSURE: 4530600 -44.7973 -36.6088 128.279 -36.6082 -66.6479 -87.9798 128.277 -87.9794 -342.071 GPRESSURE: 4530600 15.5955 -26.2265 170.551 -7.92633 -73.0468 -108.182 103.215 -109.836 -277.952 PRESSAVG: 4530600 20.1452 49.458 33.6669 49.458 -27.9314 -19.6817 33.6668 -19.6817 44.3654 GPRESSAVG: 4530600 21.3481 47.8755 30.9488 50.0337 -27.7929 -18.2587 36.7323 -20.2963 43.0945 TIMING: 4530600 CPU: 13164.2, 0.00290889/step Wall: 13164.2, 0.00290889/step, 0.379286 hours remaining, 207.046875 MB of memory in use. ENERGY: 4530600 748.7514 2089.1018 1957.4581 122.7272 -205896.9658 17505.2560 0.0000 0.0000 34345.2551 -149128.4163 299.9457 -183473.6714 -149033.3921 298.9639 -151.1719 -111.8011 557294.1609 12.1931 12.2166 PRESSURE: 4530800 -66.1673 -116.64 122.972 -116.639 -190.244 -36.0469 122.972 -36.0477 17.6023 GPRESSURE: 4530800 6.15203 -99.4265 31.6611 -165.569 -128.244 -55.0811 161.219 -18.2594 -27.1966 PRESSAVG: 4530800 4.79712 -8.86538 51.352 -8.86537 -3.61838 39.5479 51.352 39.5481 21.3309 GPRESSAVG: 4530800 3.4671 -7.94661 52.4722 -8.78769 -2.42862 37.9947 49.0786 39.6839 21.7689 TIMING: 4530800 CPU: 13164.8, 0.00291821/step Wall: 13164.8, 0.00291821/step, 0.38034 hours remaining, 207.046875 MB of memory in use. ENERGY: 4530800 731.7976 2110.1368 1962.9231 104.9331 -205967.7439 17711.9540 0.0000 0.0000 34255.8460 -149090.1532 299.1648 -183345.9992 -148994.1816 299.6076 -79.6030 -49.7630 558388.1768 7.5032 7.6025 PRESSURE: 4531000 -247.453 173.643 -4.61159 173.642 -212.761 35.951 -4.61157 35.9534 43.78 GPRESSURE: 4531000 -208.99 151.42 75.2791 178.378 -195.727 -3.90945 -22.2117 -6.27769 84.4269 PRESSAVG: 4531000 37.1044 14.5091 5.2405 14.5091 -7.452 2.17725 5.2405 2.17721 -39.1972 GPRESSAVG: 4531000 36.477 13.0367 3.58789 14.9867 -7.82618 5.06273 7.08045 2.03566 -38.3317 TIMING: 4531000 CPU: 13165.3, 0.00291238/step Wall: 13165.3, 0.00291238/step, 0.379419 hours remaining, 207.046875 MB of memory in use. ENERGY: 4531000 758.4944 2080.4526 1965.9621 117.0863 -205928.3496 17608.6957 0.0000 0.0000 34401.9738 -148995.6847 300.4410 -183397.6585 -148899.8103 299.7790 -138.8114 -106.7637 557239.7043 -3.1816 -3.2270 PRESSURE: 4531200 59.3476 -2.30602 -74.9939 -2.30479 128.062 -57.451 -74.9939 -57.4514 -178.504 GPRESSURE: 4531200 156.74 38.5716 -46.9633 34.3743 140.68 -83.1756 -83.9113 -61.8241 -183.593 PRESSAVG: 4531200 0.753289 -23.1383 28.4806 -23.1383 1.71718 6.18707 28.4805 6.18724 26.3023 GPRESSAVG: 4531200 2.17722 -20.9499 29.6379 -24.1793 1.46082 5.47401 28.1665 2.99052 24.9152 TIMING: 4531200 CPU: 13165.9, 0.00290288/step Wall: 13165.9, 0.00290288/step, 0.378019 hours remaining, 207.046875 MB of memory in use. ENERGY: 4531200 739.8683 2091.8113 1956.2383 111.0056 -206083.1845 17679.1814 0.0000 0.0000 34411.3242 -149093.7553 300.5227 -183505.0796 -149002.1216 299.9885 2.9684 37.9422 557351.6520 9.5909 9.5178 PRESSURE: 4531400 -135.856 -267.955 92.9396 -267.955 -72.8553 -116.783 92.9392 -116.783 24.7003 GPRESSURE: 4531400 -52.1503 -294.844 85.3926 -178.575 -17.816 3.02429 111.67 -185.033 -15.4609 PRESSAVG: 4531400 -34.0158 -33.6473 20.9383 -33.6472 4.34883 -9.48648 20.9382 -9.48643 54.5896 GPRESSAVG: 4531400 -34.9952 -35.9379 19.4894 -32.9245 3.98259 -10.0722 21.0751 -7.32065 56.0326 TIMING: 4531400 CPU: 13166.5, 0.00291396/step Wall: 13166.5, 0.00291396/step, 0.3793 hours remaining, 207.046875 MB of memory in use. ENERGY: 4531400 756.7334 2116.4536 1961.7710 109.9387 -205860.0319 17644.7015 0.0000 0.0000 34277.5268 -148992.9068 299.3542 -183270.4336 -148896.9513 299.9137 -61.3371 -28.4757 556481.1785 8.3076 8.3400 PRESSURE: 4531600 -211.59 150.573 139.935 150.572 -94.6496 69.3378 139.935 69.3366 -215.847 GPRESSURE: 4531600 -149.731 127.203 107.233 120.831 -84.4525 39.421 180.736 123.663 -186.547 PRESSAVG: 4531600 -26.7538 -23.2509 -6.44125 -23.2509 23.6356 24.1622 -6.44131 24.1622 36.6049 GPRESSAVG: 4531600 -26.1603 -19.3573 -5.52583 -25.775 22.2909 24.5329 -6.95934 23.9976 36.8014 TIMING: 4531600 CPU: 13167.1, 0.00290406/step Wall: 13167.1, 0.00290406/step, 0.37785 hours remaining, 207.046875 MB of memory in use. ENERGY: 4531600 745.6277 2118.2634 1971.8290 104.3197 -205633.8105 17384.3696 0.0000 0.0000 34324.0352 -148985.3660 299.7603 -183309.4012 -148884.7446 299.8674 -174.0290 -140.2434 557577.5690 11.1622 10.9774 PRESSURE: 4531800 -74.7108 -108.33 170.142 -108.33 -95.539 100.83 170.142 100.827 49.743 GPRESSURE: 4531800 -27.103 -108.098 202.016 -89.9587 -24.941 204.848 130.754 53.9367 19.1346 PRESSAVG: 4531800 -82.4089 -20.8292 11.0252 -20.8291 13.6687 14.4466 11.0253 14.4466 34.8085 GPRESSAVG: 4531800 -82.9743 -23.6517 11.8692 -17.2566 15.2897 15.5761 10.9907 13.8497 34.2852 TIMING: 4531800 CPU: 13167.7, 0.00291712/step Wall: 13167.7, 0.00291712/step, 0.379388 hours remaining, 207.046875 MB of memory in use. ENERGY: 4531800 740.7418 2104.5384 1960.0917 117.6893 -206062.3584 17774.8004 0.0000 0.0000 34447.6446 -148916.8522 300.8398 -183364.4968 -148808.9918 300.2008 -40.1689 -10.9698 558249.2178 -11.3106 -11.1331 PRESSURE: 4532000 113.944 -91.4535 7.9744 -91.4541 214.657 5.60111 7.97384 5.6029 93.3871 GPRESSURE: 4532000 104.299 -13.4062 -15.7791 -139.855 294.37 -4.88129 34.7661 38.9066 107.719 PRESSAVG: 4532000 53.6332 -14.2518 47.5191 -14.2519 14.2182 0.629026 47.5191 0.629153 -28.9841 GPRESSAVG: 4532000 55.1597 -11.8741 45.2454 -15.6694 13.0705 -1.84037 48.5779 2.71621 -29.1186 TIMING: 4532000 CPU: 13168.3, 0.00292365/step Wall: 13168.3, 0.00292365/step, 0.380074 hours remaining, 207.046875 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: 4532000 747.3675 2135.4040 1959.7205 113.4226 -205886.3640 17884.3675 0.0000 0.0000 34113.8163 -148932.2657 297.9244 -183046.0820 -148836.6629 300.2883 140.6628 168.7963 557310.3510 12.9558 13.0372 PRESSURE: 4532200 84.266 112.763 -33.2808 112.764 135.974 -138.74 -33.2803 -138.74 160.867 GPRESSURE: 4532200 115.62 133.776 -133.093 101.749 204.455 -149.731 30.4158 -197.241 156.4 PRESSAVG: 4532200 11.2797 18.9269 63.6465 18.9271 -37.7734 -24.3255 63.6464 -24.3257 -23.2041 GPRESSAVG: 4532200 11.028 18.3856 63.78 19.0066 -37.9783 -22.0231 62.0272 -25.9976 -22.87 TIMING: 4532200 CPU: 13168.8, 0.00291141/step Wall: 13168.8, 0.00291141/step, 0.378322 hours remaining, 207.046875 MB of memory in use. ENERGY: 4532200 785.8315 2125.1176 1953.1548 121.0125 -206134.8932 17986.3379 0.0000 0.0000 34235.4541 -148927.9849 298.9867 -183163.4390 -148833.1197 299.9930 127.0356 158.8252 557825.8013 -16.5659 -16.6068 LDB: ============= START OF LOAD BALANCING ============== 13172.3 LDB: ============== END OF LOAD BALANCING =============== 13172.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13172.3 LDB: ============= START OF LOAD BALANCING ============== 13172.6 LDB: Largest compute 4848 load 0.029699 is 25.2% of average load 0.117753 LDB: Average compute 0.001741 is 1.5% of average load 0.117753 LDB: TIME 13172.6 LOAD: AVG 0.117753 MAX 0.179068 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.871 MB LDB: TIME 13172.6 LOAD: AVG 0.117753 MAX 0.179068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: TIME 13172.6 LOAD: AVG 0.117753 MAX 0.179068 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.871 MB LDB: ============== END OF LOAD BALANCING =============== 13172.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13172.6 PRESSURE: 4532400 -59.5365 -33.0228 -3.39591 -33.0219 -225.736 30.4004 -3.3957 30.3993 27.8121 GPRESSURE: 4532400 -23.3949 -109.64 -20.7028 6.31117 -153.009 16.3488 43.8697 56.4822 25.6766 PRESSAVG: 4532400 79.9694 -0.517537 -1.38675 -0.517453 -12.4105 -22.9954 -1.38683 -22.9954 -76.3527 GPRESSAVG: 4532400 80.1345 -2.74689 -0.667745 0.514949 -11.0724 -25.0956 -1.6291 -21.0903 -77.4612 TIMING: 4532400 CPU: 13169.4, 0.00296639/step Wall: 13169.4, 0.00296639/step, 0.385301 hours remaining, 206.957031 MB of memory in use. ENERGY: 4532400 753.4710 2139.4997 1985.6072 113.0171 -206087.6179 17645.9357 0.0000 0.0000 34295.1295 -149154.9578 299.5079 -183450.0873 -149057.3282 300.1299 -85.8201 -50.2424 557260.2217 -2.9313 -2.7997 PRESSURE: 4532600 -41.6693 -80.309 64.3649 -80.3112 -76.7184 76.637 64.3645 76.6364 -40.2698 GPRESSURE: 4532600 19.1031 19.5407 74.4799 -142.759 -58.5111 63.4296 56.411 5.24679 -17.2649 PRESSAVG: 4532600 33.1466 -11.8159 29.6192 -11.8159 26.5203 23.8377 29.6192 23.8376 -77.1948 GPRESSAVG: 4532600 32.716 -12.1858 32.4047 -12.2399 25.6021 24.055 29.6719 22.0666 -75.9829 TIMING: 4532600 CPU: 13170, 0.00292262/step Wall: 13170, 0.00292262/step, 0.379454 hours remaining, 206.957031 MB of memory in use. ENERGY: 4532600 718.6255 2117.2039 1954.7910 110.9456 -206142.3243 17791.3220 0.0000 0.0000 34252.0347 -149197.4016 299.1315 -183449.4364 -149099.1058 299.2562 -52.8859 -18.8910 557420.1223 -5.8426 -5.8883 PRESSURE: 4532800 -30.2964 -15.9131 -110.825 -15.9143 -41.1043 10.4503 -110.825 10.4485 -146.73 GPRESSURE: 4532800 40.876 -64.97 -118.595 20.2112 -67.7948 28.1349 -123.268 -26.2427 -85.6519 PRESSAVG: 4532800 0.612929 -8.69636 -80.9954 -8.69637 6.55844 11.0211 -80.9954 11.021 27.3734 GPRESSAVG: 4532800 0.499451 -8.80717 -82.1763 -7.5943 6.59763 10.5086 -80.0209 13.2338 27.4888 TIMING: 4532800 CPU: 13170.6, 0.0029243/step Wall: 13170.6, 0.0029243/step, 0.379509 hours remaining, 206.957031 MB of memory in use. ENERGY: 4532800 760.0165 2101.8960 1937.6617 114.6389 -205972.9216 17698.9119 0.0000 0.0000 34364.5697 -148995.2268 300.1143 -183359.7965 -148898.3560 299.0667 -72.7102 -37.5236 556577.2092 11.5149 11.5286 PRESSURE: 4533000 -199.744 175.83 109.408 175.83 -127.992 51.5765 109.409 51.5771 -86.0292 GPRESSURE: 4533000 -193.911 190.165 159.192 151.981 -55.6119 21.29 96.2425 77.1334 -65.4577 PRESSAVG: 4533000 -12.7317 12.4124 -20.875 12.4122 -2.32515 9.71243 -20.875 9.71235 45.4312 GPRESSAVG: 4533000 -13.6883 13.7658 -22.0533 12.7119 -2.13317 10.5847 -21.9678 9.34147 45.9959 TIMING: 4533000 CPU: 13171.2, 0.00292167/step Wall: 13171.2, 0.00292167/step, 0.379006 hours remaining, 206.957031 MB of memory in use. ENERGY: 4533000 738.4009 2086.7251 1961.6195 106.8905 -205907.0514 17606.1712 0.0000 0.0000 34325.3825 -149081.8618 299.7721 -183407.2443 -148986.4697 299.7648 -137.9218 -104.9935 556948.3371 10.1248 10.0582 PRESSURE: 4533200 24.0971 -68.6703 -3.22211 -68.6688 21.1799 98.5196 -3.22171 98.5192 103.583 GPRESSURE: 4533200 46.8785 -90.3315 -73.2076 -96.592 64.4378 197.382 10.0843 5.9216 144.968 PRESSAVG: 4533200 -3.61682 33.7374 21.7143 33.7373 7.21955 -62.3907 21.7143 -62.3907 17.3894 GPRESSAVG: 4533200 -3.43317 34.6543 22.3462 32.4309 7.8799 -60.5107 22.8617 -65.2353 17.2432 TIMING: 4533200 CPU: 13171.8, 0.00291704/step Wall: 13171.8, 0.00291704/step, 0.378243 hours remaining, 206.957031 MB of memory in use. ENERGY: 4533200 749.4022 2105.7022 1985.3491 100.9470 -206228.6587 17858.0696 0.0000 0.0000 34312.3956 -149116.7931 299.6587 -183429.1887 -149013.8669 299.4918 49.6199 85.4280 555702.5448 6.9974 7.2300 PRESSURE: 4533400 -130.302 -143.533 -25.0593 -143.533 -178.052 82.1399 -25.0591 82.1392 -271.926 GPRESSURE: 4533400 -87.302 -141.744 -65.8892 -122.814 -176.786 74.8445 -52.1528 134.916 -209.238 PRESSAVG: 4533400 -21.534 35.0271 -21.0019 35.0271 -12.8904 -7.99203 -21.0019 -7.99204 24.9164 GPRESSAVG: 4533400 -21.457 33.411 -23.1025 35.7473 -13.4486 -7.90076 -20.2211 -6.73811 24.5964 TIMING: 4533400 CPU: 13172.4, 0.00292755/step Wall: 13172.4, 0.00292755/step, 0.379443 hours remaining, 207.128906 MB of memory in use. ENERGY: 4533400 737.6019 2087.2530 1961.9095 126.4348 -205670.4860 17503.4515 0.0000 0.0000 34224.7382 -149029.0970 298.8932 -183253.8353 -148929.6651 299.6159 -193.4267 -157.7754 557882.9382 -3.1693 -3.4364 PRESSURE: 4533600 65.46 -14.2748 127.565 -14.2737 -308.222 -99.6879 127.565 -99.6872 -137.918 GPRESSURE: 4533600 134.163 11.938 166.309 2.58039 -305.848 -114.004 102.837 -115.613 -108.249 PRESSAVG: 4533600 -3.76788 38.8817 6.23087 38.8817 -11.0919 -0.551319 6.23093 -0.551182 -55.2583 GPRESSAVG: 4533600 -3.96594 36.1397 7.00417 39.1793 -10.9156 -4.73807 5.56087 1.41795 -56.0233 TIMING: 4533600 CPU: 13172.9, 0.00294302/step Wall: 13172.9, 0.00294302/step, 0.381285 hours remaining, 207.128906 MB of memory in use. ENERGY: 4533600 751.6560 2058.1777 1938.1787 113.5919 -205974.6551 17732.4313 0.0000 0.0000 34448.9692 -148931.6502 300.8514 -183380.6194 -148837.6050 299.7973 -126.8932 -93.3113 558558.4411 -23.3727 -23.6349 PRESSURE: 4533800 -296.275 33.2291 -35.743 33.2288 62.1411 -9.76396 -35.7426 -9.76206 -347.002 GPRESSURE: 4533800 -230.631 96.8679 -125.825 -25.2689 57.6852 11.5794 -48.2024 -87.8758 -301.432 PRESSAVG: 4533800 10.7533 3.89076 -9.94127 3.89084 38.7529 -2.81222 -9.94125 -2.8122 -21.2904 GPRESSAVG: 4533800 10.4928 7.25723 -10.4687 1.84133 38.5606 -0.975748 -10.1375 -5.30065 -20.7168 TIMING: 4533800 CPU: 13173.5, 0.00292879/step Wall: 13173.5, 0.00292879/step, 0.379278 hours remaining, 207.128906 MB of memory in use. ENERGY: 4533800 766.1150 2076.5637 1978.4414 121.2074 -205268.0922 17384.9314 0.0000 0.0000 34259.0894 -148681.7438 299.1931 -182940.8332 -148586.4509 300.6163 -193.7119 -158.1261 559488.7659 9.4053 9.4455 PRESSURE: 4534000 -226.756 -122.473 28.2624 -122.473 17.2644 173.003 28.2629 173.003 0.456726 GPRESSURE: 4534000 -237.438 -98.378 -28.5047 -72.9912 56.6654 129.448 -24.9355 129.281 74.7971 PRESSAVG: 4534000 40.7232 -34.6653 7.54268 -34.6652 -22.2359 -11.9708 7.54275 -11.9708 0.536829 GPRESSAVG: 4534000 40.4642 -35.0085 8.66615 -33.9654 -22.9615 -10.8213 6.99647 -10.7804 1.22801 TIMING: 4534000 CPU: 13174.1, 0.00292015/step Wall: 13174.1, 0.00292015/step, 0.377997 hours remaining, 207.128906 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: 4534000 747.5192 2065.3214 1946.8625 129.8701 -205746.8424 17654.9625 0.0000 0.0000 34380.9234 -148821.3833 300.2572 -183202.3067 -148718.4912 300.2470 -69.6783 -35.3252 557861.3229 6.3414 6.2436 PRESSURE: 4534200 176.809 -125.013 55.1058 -125.013 -120.632 -156.975 55.1059 -156.975 69.0711 GPRESSURE: 4534200 218.031 -122.137 56.186 -105.838 -75.7486 -124.119 57.4381 -191.822 86.3054 PRESSAVG: 4534200 -10.6995 -6.06355 -2.89078 -6.06354 2.64661 -62.4834 -2.89087 -62.4834 23.9765 GPRESSAVG: 4534200 -11.4981 -6.59651 -2.27318 -5.34233 4.06279 -63.904 -3.36736 -62.7374 23.1597 TIMING: 4534200 CPU: 13174.7, 0.00293229/step Wall: 13174.7, 0.00293229/step, 0.379406 hours remaining, 207.128906 MB of memory in use. ENERGY: 4534200 744.1018 2062.8373 1965.1335 118.1705 -205925.3275 17926.3294 0.0000 0.0000 34289.0625 -148819.6924 299.4549 -183108.7549 -148722.2147 300.2982 41.7493 76.1958 557539.4945 5.3079 5.2414 PRESSURE: 4534400 -196.321 89.835 -59.6265 89.8342 -255.175 -85.2407 -59.6266 -85.2406 -31.735 GPRESSURE: 4534400 -156.569 78.9435 -124.266 85.7111 -213.522 -89.3948 -63.1112 -156.007 -8.32918 PRESSAVG: 4534400 -36.1256 -3.24699 61.8057 -3.24695 -14.5698 3.33646 61.8057 3.33652 34.9572 GPRESSAVG: 4534400 -36.9843 -5.07523 61.6838 -2.25088 -14.552 4.47311 63.7887 0.729439 34.9782 TIMING: 4534400 CPU: 13175.3, 0.00291683/step Wall: 13175.3, 0.00291683/step, 0.377244 hours remaining, 207.128906 MB of memory in use. ENERGY: 4534400 748.8531 2088.2622 1954.8086 109.0802 -205809.3606 17567.4169 0.0000 0.0000 34426.9802 -148913.9592 300.6594 -183340.9394 -148817.7409 300.1221 -161.0768 -126.1401 557736.3855 -5.2460 -5.5194 PRESSURE: 4534600 -234.19 21.3579 64.1956 21.3574 -58.5305 -103.751 64.1949 -103.751 -214.78 GPRESSURE: 4534600 -145.389 7.25291 38.5321 -54.3124 -38.7383 7.9276 58.9911 -94.7769 -210.066 PRESSAVG: 4534600 -4.76334 -12.515 -16.9304 -12.515 70.7903 10.2162 -16.9305 10.2163 -38.4374 GPRESSAVG: 4534600 -4.02879 -10.9652 -16.8148 -12.4852 69.3573 10.5835 -16.1503 14.1063 -37.8088 TIMING: 4534600 CPU: 13175.9, 0.00293366/step Wall: 13175.9, 0.00293366/step, 0.379257 hours remaining, 207.128906 MB of memory in use. ENERGY: 4534600 720.5319 2151.1725 1930.7402 123.6721 -206167.1230 17692.9900 0.0000 0.0000 34517.1285 -149030.8879 301.4467 -183548.0164 -148930.4394 299.8933 -169.1668 -131.3976 558762.8878 9.1965 9.1732 PRESSURE: 4534800 -309.333 -169.7 3.64544 -169.701 -117.503 107.742 3.64543 107.743 -208.608 GPRESSURE: 4534800 -258.332 -103.983 -8.21205 -241.998 -90.6941 164.649 84.6463 59.2552 -194.523 PRESSAVG: 4534800 -71.5892 -19.3434 -25.5958 -19.3434 79.1592 48.2229 -25.5958 48.223 -12.3798 GPRESSAVG: 4534800 -71.5895 -19.8904 -26.2726 -18.1119 79.2557 48.2106 -27.4369 46.5723 -12.0613 TIMING: 4534800 CPU: 13176.5, 0.00293197/step Wall: 13176.5, 0.00293197/step, 0.378876 hours remaining, 207.128906 MB of memory in use. ENERGY: 4534800 758.6833 2080.9590 1937.3091 117.6016 -205884.4148 17583.8716 0.0000 0.0000 34370.1896 -149035.8006 300.1634 -183405.9902 -148940.4866 299.6610 -211.8150 -181.1831 558604.3442 -1.6032 -1.4650 PRESSURE: 4535000 -162.175 60.8121 3.46372 60.8113 189.227 17.721 3.46351 17.7224 220.708 GPRESSURE: 4535000 -75.6553 4.86027 82.5141 84.6361 254.393 148.047 7.41338 -30.7246 161.472 PRESSAVG: 4535000 -6.93226 -22.9649 -10.3245 -22.9649 42.6289 -9.04313 -10.3244 -9.04308 -41.8969 GPRESSAVG: 4535000 -6.68973 -22.5469 -9.61225 -23.8996 43.7209 -9.49598 -9.27509 -7.55858 -43.3868 TIMING: 4535000 CPU: 13177, 0.00291084/step Wall: 13177, 0.00291084/step, 0.375983 hours remaining, 207.261719 MB of memory in use. ENERGY: 4535000 731.4703 2116.0604 1965.8622 112.3721 -206001.2680 17894.5102 0.0000 0.0000 34348.9039 -148832.0888 299.9775 -183180.9928 -148742.9534 299.7076 82.5868 113.4030 558229.0905 -2.0668 -2.1185 PRESSURE: 4535200 -229.642 -14.2096 -29.074 -14.2089 -99.6279 -257.383 -29.074 -257.382 68.5427 GPRESSURE: 4535200 -169.8 -6.407 49.9262 -26.938 -60.3454 -210.959 -32.9165 -222.294 66.0899 PRESSAVG: 4535200 40.5945 -1.07733 4.65856 -1.07733 28.8218 -49.6694 4.65862 -49.6693 -29.2122 GPRESSAVG: 4535200 40.4324 -1.51753 4.18938 -1.50022 27.922 -50.4128 3.05864 -51.1681 -27.6353 TIMING: 4535200 CPU: 13177.6, 0.00289583/step Wall: 13177.6, 0.00289583/step, 0.373884 hours remaining, 207.261719 MB of memory in use. ENERGY: 4535200 767.1476 2081.7383 1966.5457 116.3685 -205600.8358 17724.3276 0.0000 0.0000 34226.8705 -148717.8376 298.9118 -182944.7081 -148616.8938 300.4239 -86.9091 -54.6850 558716.1858 13.4014 13.5730 PRESSURE: 4535400 13.4235 168.254 -33.0692 168.255 347.963 -116.072 -33.0684 -116.071 -25.8167 GPRESSURE: 4535400 2.39003 118.173 61.7718 255.644 431.564 -87.641 -137.194 -263.41 -2.39076 PRESSAVG: 4535400 -10.6597 44.9677 -21.3434 44.9678 20.0698 -49.4548 -21.3435 -49.4548 16.8936 GPRESSAVG: 4535400 -11.079 45.9975 -20.7601 44.3848 20.6486 -49.835 -20.2596 -48.8569 16.6177 TIMING: 4535400 CPU: 13178.2, 0.00291071/step Wall: 13178.2, 0.00291071/step, 0.375643 hours remaining, 207.261719 MB of memory in use. ENERGY: 4535400 754.7080 2124.1804 1972.1980 115.0532 -206000.9576 18007.7504 0.0000 0.0000 34413.9969 -148613.0707 300.5460 -183027.0676 -148516.4641 300.7607 111.8565 143.8545 557244.2878 8.7679 8.7291 PRESSURE: 4535600 -122.902 48.7658 104.721 48.7662 45.0738 121.836 104.72 121.836 -291.636 GPRESSURE: 4535600 -120.846 -22.8678 140.572 73.0442 75.5695 130.048 171.797 117.673 -222.654 PRESSAVG: 4535600 -42.4643 3.92544 -27.8428 3.9254 66.1647 -2.90451 -27.8428 -2.90438 -46.9043 GPRESSAVG: 4535600 -40.1853 5.48691 -28.0632 4.52289 64.5023 -2.57066 -28.2153 -2.52231 -46.7065 TIMING: 4535600 CPU: 13178.8, 0.00291458/step Wall: 13178.8, 0.00291458/step, 0.375981 hours remaining, 207.261719 MB of memory in use. ENERGY: 4535600 763.4977 2032.5674 1937.7976 124.3934 -205592.9205 17618.6797 0.0000 0.0000 34496.6835 -148619.3013 301.2681 -183115.9848 -148523.4389 301.2167 -123.1549 -89.3101 557102.0829 -7.7346 -7.4632 PRESSURE: 4535800 96.9045 -154.915 -78.3115 -154.915 73.9428 -78.138 -78.3108 -78.1366 51.9955 GPRESSURE: 4535800 162.962 -138.037 -103.982 -75.8904 74.2026 -26.9779 -55.045 -110.435 105.369 PRESSAVG: 4535800 -29.4293 58.4055 -28.3462 58.4055 76.8398 18.8213 -28.3462 18.8213 -77.6891 GPRESSAVG: 4535800 -30.8265 57.7444 -24.4389 57.9178 78.1421 18.9955 -29.9434 19.5873 -77.7848 TIMING: 4535800 CPU: 13179.4, 0.00291647/step Wall: 13179.4, 0.00291647/step, 0.376063 hours remaining, 207.261719 MB of memory in use. ENERGY: 4535800 770.5739 2094.9169 1950.3892 101.5201 -205411.1174 17650.2764 0.0000 0.0000 34260.6499 -148582.7911 299.2068 -182843.4409 -148490.2307 300.6212 74.2809 114.1777 557521.3284 -10.0929 -10.1564 PRESSURE: 4536000 -1.18376 -33.6262 92.4827 -33.6266 34.7018 -34.0619 92.4829 -34.0623 -279.323 GPRESSURE: 4536000 27.077 -60.2702 85.4018 -35.5266 52.2029 4.44204 66.5541 -37.6892 -228.413 PRESSAVG: 4536000 65.8784 -45.6647 -24.9083 -45.6646 -18.9332 20.6066 -24.9081 20.6068 -55.5026 GPRESSAVG: 4536000 64.7293 -45.3759 -25.148 -48.4189 -18.4406 22.2557 -25.8182 18.4356 -55.0342 TIMING: 4536000 CPU: 13179.9, 0.00290135/step Wall: 13179.9, 0.00290135/step, 0.373952 hours remaining, 207.261719 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: 4536000 778.3199 2128.7379 1961.2377 123.5638 -205645.9035 17561.8364 0.0000 0.0000 34422.0732 -148670.1345 300.6165 -183092.2077 -148567.5697 301.1516 -81.9349 -49.7110 557099.6433 -2.8525 -2.9152 PRESSURE: 4536200 -149.204 276.167 233.999 276.168 -212.133 -82.4201 233.999 -82.4201 -332.149 GPRESSURE: 4536200 -85.0408 226.289 175.814 267.988 -203.733 -60.2132 197.413 -107.423 -294.464 PRESSAVG: 4536200 -12.9355 -30.4717 34.6402 -30.4718 31.3197 -19.1156 34.6403 -19.1155 -66.2237 GPRESSAVG: 4536200 -11.9548 -31.7393 31.0425 -29.2357 29.9421 -20.6981 37.116 -18.3472 -66.5934 TIMING: 4536200 CPU: 13180.5, 0.00290443/step Wall: 13180.5, 0.00290443/step, 0.374188 hours remaining, 207.261719 MB of memory in use. ENERGY: 4536200 767.1339 2096.7618 1929.1780 121.3526 -205719.7686 17441.4215 0.0000 0.0000 34416.2813 -148947.6395 300.5659 -183363.9208 -148848.7702 300.8793 -231.1621 -194.4126 557480.7383 -15.9465 -16.2020 LDB: ============= START OF LOAD BALANCING ============== 13184 LDB: ============== END OF LOAD BALANCING =============== 13184 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13184 LDB: ============= START OF LOAD BALANCING ============== 13184.3 LDB: Largest compute 4848 load 0.030357 is 25.8% of average load 0.117765 LDB: Average compute 0.001744 is 1.5% of average load 0.117765 LDB: TIME 13184.3 LOAD: AVG 0.117765 MAX 0.180287 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.855 MB LDB: TIME 13184.3 LOAD: AVG 0.117765 MAX 0.180287 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.059 MB LDB: TIME 13184.3 LOAD: AVG 0.117765 MAX 0.180287 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13184.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13184.3 PRESSURE: 4536400 259.746 57.2689 -5.19974 57.2683 -4.93975 -8.85869 -5.20015 -8.85889 216.463 GPRESSURE: 4536400 280.927 35.3073 3.48773 59.4564 118.24 -20.9606 -1.23329 25.841 170.207 PRESSAVG: 4536400 -1.11595 -6.38534 -7.84028 -6.38537 34.7802 13.4587 -7.84035 13.4587 -36.502 GPRESSAVG: 4536400 -1.50903 -7.5035 -9.85346 -6.3882 35.5617 12.4377 -6.61769 13.4223 -37.1208 TIMING: 4536400 CPU: 13181.1, 0.00299332/step Wall: 13181.1, 0.00299332/step, 0.385473 hours remaining, 207.667969 MB of memory in use. ENERGY: 4536400 731.0170 2108.2844 1959.7099 116.5419 -205933.2140 17860.7601 0.0000 0.0000 34191.7115 -148965.1892 298.6047 -183156.9007 -148867.4526 299.8867 157.0895 189.7912 557150.5299 -0.9459 -1.0227 PRESSURE: 4536600 -173.786 38.3599 -6.87547 38.3601 -115.126 -70.5336 -6.87487 -70.534 81.8875 GPRESSURE: 4536600 -75.8735 26.3268 -10.1273 58.1517 -124.053 -108.649 -62.6367 -76.2886 105.579 PRESSAVG: 4536600 8.92994 -11.2025 18.2719 -11.2025 -36.0967 -46.7966 18.2719 -46.7967 6.48547 GPRESSAVG: 4536600 9.17381 -9.02695 21.4523 -10.3966 -35.8164 -45.5547 18.9487 -46.924 6.4811 TIMING: 4536600 CPU: 13181.7, 0.00292374/step Wall: 13181.7, 0.00292374/step, 0.37635 hours remaining, 207.871094 MB of memory in use. ENERGY: 4536600 746.1244 2115.2194 1955.5107 109.6870 -206036.7251 17584.8186 0.0000 0.0000 34554.8457 -148970.5193 301.7761 -183525.3650 -148876.6480 300.2471 -69.0082 -31.4489 557718.5428 -6.8938 -6.7205 PRESSURE: 4536800 -268.187 -41.0009 106.715 -41.0004 20.5284 52.6432 106.716 52.6444 217.351 GPRESSURE: 4536800 -257.971 -5.29401 125.321 -9.28297 45.0943 116.659 67.0411 16.3067 281.914 PRESSAVG: 4536800 -58.0857 -28.9709 7.73556 -28.9709 76.3586 -28.2898 7.73563 -28.2899 0.552342 GPRESSAVG: 4536800 -58.2448 -32.1725 7.03605 -27.8325 75.9636 -29.4357 5.90594 -27.5142 0.814712 TIMING: 4536800 CPU: 13182.3, 0.00290683/step Wall: 13182.3, 0.00290683/step, 0.374012 hours remaining, 207.871094 MB of memory in use. ENERGY: 4536800 717.0013 2115.8081 1977.2188 113.4939 -205709.8608 17654.4973 0.0000 0.0000 34236.8576 -148894.9838 298.9990 -183131.8414 -148797.7561 300.5911 -10.1026 23.0123 558094.2711 6.2751 6.1778 PRESSURE: 4537000 -13.7533 -139.022 -46.0314 -139.023 280.68 -96.0455 -46.033 -96.0478 -38.5776 GPRESSURE: 4537000 39.6901 -74.6107 -61.1304 -154.981 279.241 -78.0753 -85.4172 -68.9297 10.5321 PRESSAVG: 4537000 -40.8232 29.0511 1.77049 29.0512 -9.66829 -6.97694 1.7705 -6.97707 17.4679 GPRESSAVG: 4537000 -40.7643 31.3561 -1.40275 27.9497 -10.4356 -5.7265 2.33035 -9.08831 17.8199 TIMING: 4537000 CPU: 13182.9, 0.0029134/step Wall: 13182.9, 0.0029134/step, 0.374695 hours remaining, 207.871094 MB of memory in use. ENERGY: 4537000 800.8574 2043.3339 1995.9041 118.6453 -206406.8482 18013.4065 0.0000 0.0000 34387.6179 -149047.0831 300.3156 -183434.7010 -148952.3718 300.2020 76.1162 109.8212 557952.3937 -11.0079 -11.1267 PRESSURE: 4537200 164.458 28.9687 165.571 28.9679 134.271 32.5421 165.571 32.5424 -209.107 GPRESSURE: 4537200 226.867 58.7001 220.286 19.3756 139.34 -50.826 62.9563 77.8828 -195.004 PRESSAVG: 4537200 -19.1595 -28.6367 51.5682 -28.6366 -3.32381 0.715502 51.5682 0.715529 43.1949 GPRESSAVG: 4537200 -19.1861 -28.8932 54.3555 -26.2245 -1.43729 -1.00608 50.927 4.48298 41.583 TIMING: 4537200 CPU: 13183.5, 0.0029226/step Wall: 13183.5, 0.0029226/step, 0.375717 hours remaining, 207.871094 MB of memory in use. ENERGY: 4537200 736.6175 2100.9151 1965.4812 110.7500 -206242.3644 17948.9739 0.0000 0.0000 34346.4008 -149033.2261 299.9557 -183379.6269 -148941.4919 299.6968 29.8741 57.0678 558161.7503 6.9039 6.9865 PRESSURE: 4537400 -86.2701 -3.02258 154.224 -3.02292 -214.005 -36.9612 154.223 -36.9605 -22.4599 GPRESSURE: 4537400 -60.3533 0.0299998 75.2767 21.9634 -183.191 -23.2241 185.313 -62.2257 3.82442 PRESSAVG: 4537400 -5.3951 5.31749 10.7121 5.31758 77.4201 11.4533 10.712 11.4534 -100.24 GPRESSAVG: 4537400 -5.45983 4.9367 10.0985 4.82756 75.6302 11.572 12.0954 10.4251 -98.7857 TIMING: 4537400 CPU: 13184, 0.00291364/step Wall: 13184, 0.00291364/step, 0.374402 hours remaining, 207.871094 MB of memory in use. ENERGY: 4537400 777.3350 2068.1315 1985.2879 120.0675 -206450.7859 17987.7488 0.0000 0.0000 34333.7341 -149178.4812 299.8450 -183512.2153 -149078.6994 299.4526 -107.5785 -79.9066 560128.9915 -9.4049 -9.5384 PRESSURE: 4537600 260.957 -181.879 108.018 -181.879 -50.3603 -1.51414 108.019 -1.5143 -96.9942 GPRESSURE: 4537600 302.852 -163.277 48.8037 -69.3357 -8.22185 -11.2716 179.266 -15.5164 -63.6368 PRESSAVG: 4537600 42.964 -28.9534 -8.26919 -28.9534 -14.4944 -32.2694 -8.26924 -32.2694 3.86932 GPRESSAVG: 4537600 42.8964 -30.3672 -9.01569 -29.4696 -14.6343 -32.0427 -8.7687 -34.0575 4.21196 TIMING: 4537600 CPU: 13184.6, 0.00290026/step Wall: 13184.6, 0.00290026/step, 0.372522 hours remaining, 208.074219 MB of memory in use. ENERGY: 4537600 763.2187 2059.4316 1944.8069 100.5773 -206120.5001 17992.3203 0.0000 0.0000 34135.8083 -149124.3370 298.1165 -183260.1452 -149026.8530 299.0661 37.8676 76.9977 558367.6158 10.7796 10.8247 PRESSURE: 4537800 -266.451 69.2351 -179.905 69.2361 124.122 187.86 -179.905 187.859 20.3957 GPRESSURE: 4537800 -213.357 -4.52681 -137.609 126.097 120.564 142.925 -154.741 276.036 53.2143 PRESSAVG: 4537800 -37.8137 -1.95623 -27.0496 -1.95626 10.4634 27.9379 -27.0495 27.9379 60.764 GPRESSAVG: 4537800 -37.9785 0.240267 -27.7969 -2.70658 10.394 27.1758 -27.2266 31.0602 60.8131 TIMING: 4537800 CPU: 13185.2, 0.00291126/step Wall: 13185.2, 0.00291126/step, 0.373774 hours remaining, 208.074219 MB of memory in use. ENERGY: 4537800 728.6460 2116.9623 1961.5972 112.0619 -206151.1016 17754.1458 0.0000 0.0000 34456.9247 -149020.7637 300.9209 -183477.6885 -148919.9829 299.4217 -40.6442 -13.1929 558334.9371 11.1379 11.0762 PRESSURE: 4538000 76.5046 4.88533 152.675 4.88559 232.181 65.2063 152.675 65.2063 235.817 GPRESSURE: 4538000 29.782 29.7518 121.621 9.15644 342.428 94.2169 197.903 -27.1394 267.763 PRESSAVG: 4538000 -63.4557 -1.24449 -16.1512 -1.24441 -0.711224 22.7009 -16.1514 22.7009 48.8487 GPRESSAVG: 4538000 -64.6276 -0.613387 -13.5823 -0.521586 0.41959 24.4525 -16.6181 20.4339 48.9698 TIMING: 4538000 CPU: 13185.8, 0.00291592/step Wall: 13185.8, 0.00291592/step, 0.37421 hours remaining, 208.074219 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: 4538000 782.4202 2189.0457 1933.0865 116.9990 -206534.9028 18076.3097 0.0000 0.0000 34385.3525 -149051.6890 300.2958 -183437.0416 -148954.1412 300.4893 181.5007 213.3246 555895.1783 -5.1061 -5.0794 PRESSURE: 4538200 -88.1941 107.608 -172.694 107.609 -134.587 -20.3951 -172.694 -20.3944 -364.669 GPRESSURE: 4538200 -93.0148 147.83 -214.423 80.2264 -131.252 51.4173 -187.91 -101.566 -268.61 PRESSAVG: 4538200 -10.6593 55.5694 20.5333 55.5695 32.007 -50.346 20.5332 -50.346 -34.1684 GPRESSAVG: 4538200 -10.3026 55.2753 18.8119 55.591 31.7319 -51.7434 19.0256 -49.6562 -34.37 TIMING: 4538200 CPU: 13186.4, 0.00290728/step Wall: 13186.4, 0.00290728/step, 0.372939 hours remaining, 208.074219 MB of memory in use. ENERGY: 4538200 765.9439 2126.0842 1956.7041 117.1542 -205559.3421 17404.5141 0.0000 0.0000 34208.1452 -148980.7964 298.7482 -183188.9416 -148880.9684 299.7395 -195.8165 -164.2923 555955.6550 -4.2736 -4.3136 PRESSURE: 4538400 -38.334 144.7 -103.483 144.701 -180.837 41.5067 -103.483 41.5048 -135.356 GPRESSURE: 4538400 42.1261 80.521 -200.459 228.572 -157.956 -68.4832 -104.086 89.1771 -150.73 PRESSAVG: 4538400 -5.1899 40.5535 -32.1817 40.5535 34.7076 -32.3722 -32.1817 -32.3722 -0.255893 GPRESSAVG: 4538400 -5.12486 38.8389 -32.4095 40.4564 34.5589 -33.1704 -30.4727 -30.2906 -0.206684 TIMING: 4538400 CPU: 13187, 0.00290518/step Wall: 13187, 0.00290518/step, 0.372509 hours remaining, 208.074219 MB of memory in use. ENERGY: 4538400 776.8727 2144.5071 1978.1680 120.6066 -205748.4233 17642.9833 0.0000 0.0000 34306.5901 -148778.6956 299.6080 -183085.2857 -148686.3628 300.2341 -118.1756 -88.8534 557431.4644 9.7539 9.7425 PRESSURE: 4538600 24.5437 13.3634 -42.9801 13.3625 -264.649 -59.5384 -42.9803 -59.5378 52.9736 GPRESSURE: 4538600 40.2032 -9.83908 -27.2905 79.2549 -240.529 -61.9512 -24.4974 -52.2186 105.364 PRESSAVG: 4538600 -5.47541 60.9541 -19.9233 60.9541 -33.1359 -39.9104 -19.9233 -39.9105 26.9979 GPRESSAVG: 4538600 -4.48835 62.2461 -21.3144 61.3986 -33.4344 -38.0398 -18.6384 -41.5123 26.4655 TIMING: 4538600 CPU: 13187.5, 0.0029062/step Wall: 13187.5, 0.0029062/step, 0.372478 hours remaining, 208.074219 MB of memory in use. ENERGY: 4538600 764.9390 2110.7709 1992.4797 115.8297 -206023.1146 17844.7354 0.0000 0.0000 34241.5921 -148952.7678 299.0403 -183194.3599 -148858.9172 299.7776 -62.3774 -31.6539 557759.1636 -3.8712 -3.8191 PRESSURE: 4538800 -39.4059 -12.3057 10.4858 -12.3054 -275.557 -205.871 10.4853 -205.87 -120.201 GPRESSURE: 4538800 0.0775598 -14.9883 15.1553 -13.3013 -228.91 -135.217 47.6954 -236.924 -107.156 PRESSAVG: 4538800 -57.6494 8.78678 8.66689 8.78671 -50.0755 -41.0057 8.66681 -41.0058 67.5122 GPRESSAVG: 4538800 -57.465 7.9456 11.1876 9.32314 -49.5411 -40.6477 7.57943 -39.7427 67.3752 TIMING: 4538800 CPU: 13188.1, 0.00291846/step Wall: 13188.1, 0.00291846/step, 0.373887 hours remaining, 208.074219 MB of memory in use. ENERGY: 4538800 761.3140 2131.8254 1961.2292 120.0273 -206073.6353 17769.7997 0.0000 0.0000 34360.1394 -148969.3003 300.0756 -183329.4397 -148879.0879 299.2740 -145.0547 -111.9961 557523.2534 -13.4042 -13.2103 PRESSURE: 4539000 -77.0053 -41.968 -46.8812 -41.9684 -52.3152 -58.0962 -46.8827 -58.0958 -92.9648 GPRESSURE: 4539000 -50.9613 -89.9935 49.8219 1.46383 0.764991 -88.7782 -89.9869 -48.9928 -67.9381 PRESSAVG: 4539000 -28.6648 9.85678 38.123 9.85676 0.781692 -71.0753 38.1229 -71.0753 63.5542 GPRESSAVG: 4539000 -29.3339 10.8626 37.9489 8.64662 0.860072 -71.014 37.0678 -71.4502 64.3054 TIMING: 4539000 CPU: 13188.7, 0.00291192/step Wall: 13188.7, 0.00291192/step, 0.372888 hours remaining, 208.074219 MB of memory in use. ENERGY: 4539000 790.5730 2072.5583 1978.8271 102.0872 -205637.4553 17745.3977 0.0000 0.0000 34066.4140 -148881.5980 297.5105 -182948.0120 -148779.3880 299.2694 -74.0951 -39.3781 560001.3852 11.8904 11.9439 PRESSURE: 4539200 244.182 132.479 92.5654 132.481 118.914 70.7754 92.5668 70.7744 32.8222 GPRESSURE: 4539200 299.441 134.191 53.1044 204.744 119.727 67.8985 193.959 -1.97311 85.0343 PRESSAVG: 4539200 -32.6771 0.902753 46.6774 0.902732 44.7799 14.3317 46.6772 14.3317 -31.9063 GPRESSAVG: 4539200 -33.3207 1.65332 47.6984 1.63235 43.9436 14.7939 46.7103 11.7093 -30.94 TIMING: 4539200 CPU: 13189.3, 0.00290951/step Wall: 13189.3, 0.00290951/step, 0.372417 hours remaining, 208.074219 MB of memory in use. ENERGY: 4539200 765.8643 2092.2739 1943.1080 114.9195 -206156.8803 17932.0696 0.0000 0.0000 34350.7924 -148957.8526 299.9940 -183308.6450 -148861.1769 299.5975 131.9729 168.0673 558677.6048 -6.6012 -6.7724 PRESSURE: 4539400 260.646 -120.608 1.85113 -120.607 89.4117 157.42 1.85163 157.421 -215.06 GPRESSURE: 4539400 298.127 -159.878 -53.6609 -112.093 96.8764 249.589 110.653 234.337 -177.349 PRESSAVG: 4539400 62.8411 -10.1302 24.626 -10.1302 -14.4387 36.2191 24.626 36.2191 -56.3303 GPRESSAVG: 4539400 63.0215 -10.7745 24.4111 -9.79362 -14.6379 34.0931 24.9381 38.5288 -56.1709 TIMING: 4539400 CPU: 13189.9, 0.00289641/step Wall: 13189.9, 0.00289641/step, 0.37058 hours remaining, 208.074219 MB of memory in use. ENERGY: 4539400 712.9607 2081.2862 1955.5094 109.2518 -205948.7176 17841.5021 0.0000 0.0000 34281.9038 -148966.3036 299.3924 -183248.2074 -148859.8812 299.9499 44.9990 72.5514 558617.4213 -2.6426 -2.5958 PRESSURE: 4539600 -123.445 -41.0096 -26.5162 -41.0091 195.668 91.7791 -26.5165 91.7793 217.68 GPRESSURE: 4539600 -41.2383 -43.6809 11.5132 -38.0271 213.069 114.468 4.03195 102.824 212.362 PRESSAVG: 4539600 -82.3907 19.3759 4.74687 19.3758 61.4547 61.5101 4.74687 61.51 -29.948 GPRESSAVG: 4539600 -82.4476 19.1456 4.8126 19.509 61.0273 63.0255 3.41416 60.2135 -29.2248 TIMING: 4539600 CPU: 13190.4, 0.00290231/step Wall: 13190.4, 0.00290231/step, 0.371173 hours remaining, 208.074219 MB of memory in use. ENERGY: 4539600 677.7251 2111.0374 1969.9899 97.1816 -205760.9040 17654.5711 0.0000 0.0000 34288.9098 -148961.4891 299.4536 -183250.3990 -148875.4693 299.4645 96.6341 128.0644 557368.6714 -16.9613 -16.8817 PRESSURE: 4539800 0.361659 116.668 -155.512 116.668 -162.434 149.644 -155.513 149.644 -62.2579 GPRESSURE: 4539800 54.2301 127.18 -204.128 47.0329 -155.366 73.9567 -185.164 140.794 -6.16023 PRESSAVG: 4539800 12.1402 17.125 -28.5991 17.125 -9.92789 56.1979 -28.5991 56.1979 25.9944 GPRESSAVG: 4539800 12.1116 16.6321 -27.651 15.6011 -10.4143 53.4092 -29.9289 57.4798 26.3581 TIMING: 4539800 CPU: 13191, 0.00290339/step Wall: 13191, 0.00290339/step, 0.37115 hours remaining, 208.074219 MB of memory in use. ENERGY: 4539800 735.7879 2122.5223 1968.3596 121.8293 -205956.5700 17805.2566 0.0000 0.0000 34310.2913 -148892.5230 299.6403 -183202.8143 -148791.9606 299.9551 -74.7768 -35.7653 558291.1471 9.4022 9.3518 PRESSURE: 4540000 -57.1789 -36.5707 89.5542 -36.5706 170.577 -119.518 89.5532 -119.518 -130.572 GPRESSURE: 4540000 -9.92396 22.1823 73.9937 -31.5237 211.082 -114.825 125.94 -165.432 -112.472 PRESSAVG: 4540000 -16.7384 19.4363 8.09935 19.4363 44.5619 1.31247 8.09932 1.3126 2.46832 GPRESSAVG: 4540000 -15.7397 18.7795 4.36508 19.8731 45.5958 2.44559 10.2404 1.12666 1.0146 TIMING: 4540000 CPU: 13191.6, 0.00292334/step Wall: 13191.6, 0.00292334/step, 0.373538 hours remaining, 208.074219 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: 4540000 776.3904 2076.6850 1959.8108 105.7077 -205920.1619 17822.6159 0.0000 0.0000 34301.2008 -148877.7513 299.5609 -183178.9521 -148783.3570 299.7365 -5.7247 29.5623 557010.9161 10.0973 10.2902 PRESSURE: 4540200 208.228 36.791 88.866 36.7901 190.59 93.2717 88.8674 93.2707 274.752 GPRESSURE: 4540200 244.287 91.5129 134.393 -34.6658 195.322 -76.1751 145.992 54.2364 339.002 PRESSAVG: 4540200 -12.8249 -27.866 18.3081 -27.866 1.84552 -23.5864 18.308 -23.5864 3.64721 GPRESSAVG: 4540200 -13.021 -25.5864 19.7853 -28.46 2.49136 -23.9376 18.4284 -22.9604 3.35744 TIMING: 4540200 CPU: 13192.2, 0.00292496/step Wall: 13192.2, 0.00292496/step, 0.373583 hours remaining, 208.074219 MB of memory in use. ENERGY: 4540200 734.8284 2141.2860 1944.8638 123.6201 -206096.4136 18065.1003 0.0000 0.0000 34235.4244 -148851.2907 298.9865 -183086.7150 -148753.6964 299.7947 224.5233 259.5370 556371.9757 -2.4441 -2.3907 LDB: ============= START OF LOAD BALANCING ============== 13195.7 LDB: ============== END OF LOAD BALANCING =============== 13195.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13195.7 LDB: ============= START OF LOAD BALANCING ============== 13195.9 LDB: Largest compute 4848 load 0.029716 is 25.2% of average load 0.117795 LDB: Average compute 0.001740 is 1.5% of average load 0.117795 LDB: TIME 13196 LOAD: AVG 0.117795 MAX 0.180806 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 13196 LOAD: AVG 0.117795 MAX 0.180806 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 13196 LOAD: AVG 0.117795 MAX 0.180806 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: ============== END OF LOAD BALANCING =============== 13196 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13196 PRESSURE: 4540400 171.644 -111.556 148.088 -111.556 17.7909 -87.9327 148.09 -87.9346 -90.4413 GPRESSURE: 4540400 184.988 -122.099 182.7 -70.4193 16.0513 -19.2467 114.92 -52.9169 -16.3137 PRESSAVG: 4540400 -28.0854 -68.1424 32.3266 -68.1425 -32.7627 20.0641 32.3267 20.0639 8.90924 GPRESSAVG: 4540400 -29.0025 -69.8488 32.6916 -65.7543 -33.4802 20.4251 32.1642 22.2181 10.0809 TIMING: 4540400 CPU: 13192.8, 0.00295563/step Wall: 13192.8, 0.00295563/step, 0.377336 hours remaining, 208.320312 MB of memory in use. ENERGY: 4540400 784.3502 2109.2088 1939.4122 118.1864 -205760.2612 17620.2823 0.0000 0.0000 34392.0043 -148796.8169 300.3539 -183188.8213 -148701.2599 299.8638 32.9978 61.5753 556716.0127 -17.3130 -17.4673 PRESSURE: 4540600 -128.964 -7.77477 82.1323 -7.77477 144.757 25.633 82.1331 25.6343 -64.3123 GPRESSURE: 4540600 -69.5171 -44.2772 111.992 36.5256 147.066 34.0281 105.942 63.5455 -34.2964 PRESSAVG: 4540600 -54.3896 39.3368 62.7634 39.3368 30.1312 -48.801 62.7634 -48.801 38.0635 GPRESSAVG: 4540600 -53.5054 38.8345 63.3221 38.3652 29.8428 -48.4801 62.9281 -50.7 36.9613 TIMING: 4540600 CPU: 13193.4, 0.00291149/step Wall: 13193.4, 0.00291149/step, 0.371539 hours remaining, 208.390625 MB of memory in use. ENERGY: 4540600 740.7819 2099.7564 1958.8375 115.3036 -205515.1263 17501.0074 0.0000 0.0000 34226.3390 -148873.1006 298.9071 -183099.4396 -148771.9294 299.8127 -16.1732 14.4173 558752.4835 4.6017 4.4329 PRESSURE: 4540800 -43.7142 1.18003 43.2957 1.18055 59.5763 173.172 43.2962 173.172 11.5329 GPRESSURE: 4540800 -48.7637 -70.2523 17.7052 50.3788 117.633 106.269 116.896 179.738 47.237 PRESSAVG: 4540800 -35.3578 9.9118 26.3864 9.9117 45.6255 16.4821 26.3863 16.4821 -78.8183 GPRESSAVG: 4540800 -35.4693 10.1075 26.1406 9.49149 46.6816 16.1438 25.7938 17.4199 -79.2479 TIMING: 4540800 CPU: 13194, 0.00292761/step Wall: 13194, 0.00292761/step, 0.373432 hours remaining, 208.515625 MB of memory in use. ENERGY: 4540800 746.1241 2091.3801 1949.1420 103.8774 -205950.2012 17985.7817 0.0000 0.0000 34172.5806 -148901.3153 298.4376 -183073.8959 -148799.7619 299.5659 9.1317 38.7021 560625.2292 -22.8502 -22.6785 PRESSURE: 4541000 154.923 207.475 21.2489 207.474 -96.7986 74.1294 21.2482 74.1292 -96.9771 GPRESSURE: 4541000 141.558 138.667 68.7725 186.13 -56.4942 17.1756 -87.4922 108.691 -27.6444 PRESSAVG: 4541000 1.44081 19.6352 27.3135 19.6351 76.6845 -17.201 27.3136 -17.2009 -81.9693 GPRESSAVG: 4541000 2.4425 20.1585 27.1858 19.7288 75.0746 -17.7429 26.4655 -19.4998 -81.1281 TIMING: 4541000 CPU: 13194.5, 0.00294431/step Wall: 13194.5, 0.00294431/step, 0.3754 hours remaining, 208.515625 MB of memory in use. ENERGY: 4541000 741.4376 2172.5764 1951.0016 126.8239 -206634.4892 18044.8540 0.0000 0.0000 34485.3753 -149112.4204 301.1694 -183597.7957 -149010.3856 299.3376 -12.9508 19.1399 560820.3622 -1.2813 -1.2037 PRESSURE: 4541200 172.282 4.0875 -52.2617 4.08867 -140.594 -102.783 -52.2635 -102.784 -57.6706 GPRESSURE: 4541200 129.115 4.01528 -159.636 19.189 -43.1669 -97.6939 -94.7949 -94.9821 -13.7353 PRESSAVG: 4541200 20.0451 -0.00210616 10.2265 -0.00204348 -16.959 -17.3368 10.2265 -17.3367 34.8737 GPRESSAVG: 4541200 19.1664 2.06768 9.96608 -1.28314 -16.1185 -14.661 9.62849 -15.9948 34.6603 TIMING: 4541200 CPU: 13195.1, 0.00294878/step Wall: 13195.1, 0.00294878/step, 0.375806 hours remaining, 208.515625 MB of memory in use. ENERGY: 4541200 698.0351 2118.3418 1980.5112 117.2877 -206064.1266 17864.8749 0.0000 0.0000 34246.3863 -149038.6896 299.0822 -183285.0760 -148941.4120 299.5988 -8.6608 24.0711 560329.1626 12.6532 12.5694 PRESSURE: 4541400 -24.8074 -29.4592 -48.7648 -29.457 -134.982 -2.45201 -48.7643 -2.45084 107.579 GPRESSURE: 4541400 -7.88756 -72.1725 -2.68752 3.99483 -99.0083 -21.5131 -87.0647 -1.03475 156.284 PRESSAVG: 4541400 -17.7797 11.5325 -31.4406 11.5325 -3.44295 12.5366 -31.4406 12.5367 26.0941 GPRESSAVG: 4541400 -17.573 9.81853 -30.9364 13.2023 -2.83019 11.3529 -29.6053 13.3172 25.2879 TIMING: 4541400 CPU: 13195.7, 0.002926/step Wall: 13195.7, 0.002926/step, 0.37274 hours remaining, 208.515625 MB of memory in use. ENERGY: 4541400 738.2729 2074.3428 1919.0830 130.4694 -205923.8123 17696.2076 0.0000 0.0000 34233.8923 -149131.5442 298.9731 -183365.4365 -149034.9803 298.8031 -17.4033 16.4627 558172.4250 1.6238 1.6282 PRESSURE: 4541600 -145.768 -6.93194 -102.334 -6.93309 -40.7834 -65.7392 -102.334 -65.7387 49.1323 GPRESSURE: 4541600 -74.3745 -63.3523 -171.15 72.6785 -12.7225 -131.517 -103.131 -76.4082 37.2024 PRESSAVG: 4541600 -61.3278 42.9377 -50.1518 42.9378 35.1321 17.9832 -50.1517 17.9831 45.6449 GPRESSAVG: 4541600 -61.407 39.8998 -50.4834 42.9848 34.2887 18.2563 -51.5144 17.724 47.1054 TIMING: 4541600 CPU: 13196.3, 0.00292536/step Wall: 13196.3, 0.00292536/step, 0.372496 hours remaining, 208.515625 MB of memory in use. ENERGY: 4541600 742.5708 2097.6027 1930.7947 109.7309 -205659.3117 17522.6234 0.0000 0.0000 34151.5769 -149104.4123 298.2542 -183255.9892 -149007.7215 298.8838 -45.8064 -16.6315 558282.5748 6.4830 6.6624 PRESSURE: 4541800 -2.22221 -206.275 -35.6507 -206.274 -156.008 83.2531 -35.6499 83.2555 -87.4495 GPRESSURE: 4541800 15.3063 -275.506 -79.1108 -117.571 -113.055 53.2886 -42.2728 80.8749 -58.8149 PRESSAVG: 4541800 -5.15551 7.88341 -44.0584 7.88333 2.39721 22.1843 -44.0584 22.1844 -14.2234 GPRESSAVG: 4541800 -5.78055 12.8874 -44.9715 5.61509 2.56115 22.2042 -42.6606 20.7886 -13.7355 TIMING: 4541800 CPU: 13196.9, 0.00289095/step Wall: 13196.9, 0.00289095/step, 0.367954 hours remaining, 208.515625 MB of memory in use. ENERGY: 4541800 768.7655 2140.1554 1949.2748 110.7586 -206376.4217 17965.4191 0.0000 0.0000 34317.9268 -149124.1214 299.7070 -183442.0482 -149033.6072 299.1026 -81.8932 -52.1880 560067.9116 -5.6606 -5.6516 PRESSURE: 4542000 176.073 -15.0031 -13.6279 -15.0027 222.003 59.6456 -13.628 59.6451 218.641 GPRESSURE: 4542000 225.938 -51.542 -62.665 12.2257 229.665 30.5621 39.6705 118.284 254.731 PRESSAVG: 4542000 35.3736 -25.4652 -28.1389 -25.4653 -29.3237 2.55549 -28.1388 2.55543 -22.6722 GPRESSAVG: 4542000 36.1975 -27.7698 -25.7828 -23.4333 -30.1166 -0.121516 -29.3625 3.7514 -22.6475 TIMING: 4542000 CPU: 13197.5, 0.00291069/step Wall: 13197.5, 0.00291069/step, 0.370305 hours remaining, 208.515625 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: 4542000 760.7420 2169.7981 1928.1297 98.8281 -206958.9727 18291.2690 0.0000 0.0000 34595.3461 -149114.8597 302.1298 -183710.2058 -149025.4956 299.7309 205.5725 236.7780 556687.1774 -5.5408 -5.5222 PRESSURE: 4542200 -87.5324 -123.078 36.9098 -123.077 -258.314 58.6513 36.9093 58.6524 58.8655 GPRESSURE: 4542200 -30.2617 -86.2754 -56.8337 -160.329 -278.376 161.961 40.5511 51.7879 113.323 PRESSAVG: 4542200 6.95493 -20.124 -38.6697 -20.1239 -80.6175 -56.2461 -38.6698 -56.2461 63.3017 GPRESSAVG: 4542200 6.26766 -18.588 -40.5193 -18.9042 -80.4422 -55.1459 -36.3893 -55.6619 64.311 TIMING: 4542200 CPU: 13198, 0.00291537/step Wall: 13198, 0.00291537/step, 0.370738 hours remaining, 208.515625 MB of memory in use. ENERGY: 4542200 719.6384 2106.5202 1950.9940 104.4609 -206206.8121 17832.5026 0.0000 0.0000 34218.9174 -149273.7788 298.8423 -183492.6961 -149178.2163 299.7847 -95.6603 -65.1049 558008.8562 -3.4536 -3.2878 PRESSURE: 4542400 144.558 0.716523 -40.0015 0.716523 60.7893 -176.683 -40.0023 -176.683 -81.2667 GPRESSURE: 4542400 130.423 -54.0516 -88.3732 1.41553 91.1953 -145.617 -62.5517 -137.494 7.40682 PRESSAVG: 4542400 11.6261 33.0708 -47.9005 33.0708 -13.7081 -26.1647 -47.9004 -26.1647 58.7894 GPRESSAVG: 4542400 11.8905 32.1187 -48.077 31.9645 -13.1974 -25.808 -49.4563 -25.3045 58.4669 TIMING: 4542400 CPU: 13198.6, 0.00290915/step Wall: 13198.6, 0.00290915/step, 0.369785 hours remaining, 208.515625 MB of memory in use. ENERGY: 4542400 728.5721 2107.4974 1978.1348 112.5984 -206261.9165 17816.6047 0.0000 0.0000 34222.7717 -149295.7375 298.8760 -183518.5092 -149195.8223 298.9814 41.3603 76.3417 556721.3183 18.9025 19.0534 PRESSURE: 4542600 158.153 65.1924 -56.8957 65.1922 42.4175 108.417 -56.8953 108.417 143.623 GPRESSURE: 4542600 243.555 22.2132 14.1192 92.1241 10.9093 173.742 -92.0231 109.248 184.235 PRESSAVG: 4542600 24.9876 12.899 13.0249 12.8991 -51.1253 -25.7789 13.0249 -25.779 15.891 GPRESSAVG: 4542600 26.0732 12.5272 15.2454 11.8927 -51.1188 -25.7136 12.7013 -28.5751 14.6496 TIMING: 4542600 CPU: 13199.2, 0.00292984/step Wall: 13199.2, 0.00292984/step, 0.372253 hours remaining, 208.515625 MB of memory in use. ENERGY: 4542600 759.6331 2107.2705 1975.8791 111.2711 -206789.1873 18072.4844 0.0000 0.0000 34369.7832 -149392.8660 300.1599 -183762.6492 -149294.1651 298.9254 114.7311 146.2330 557074.5487 -3.4156 -3.4653 PRESSURE: 4542800 -85.4283 -13.4964 193.302 -13.4979 -188.327 109.163 193.303 109.162 44.8034 GPRESSURE: 4542800 -62.2535 50.7188 152.511 -138.765 -177.511 137.766 183.607 55.096 94.6477 PRESSAVG: 4542800 42.1375 20.8958 42.4333 20.8957 -34.1757 6.42126 42.4333 6.42122 -6.94039 GPRESSAVG: 4542800 40.2364 21.3106 39.0734 22.0566 -33.5783 5.38356 44.2507 7.41085 -5.9237 TIMING: 4542800 CPU: 13199.8, 0.00292427/step Wall: 13199.8, 0.00292427/step, 0.371382 hours remaining, 208.515625 MB of memory in use. ENERGY: 4542800 758.8069 2117.9663 1973.0883 120.3900 -206236.4824 17514.0940 0.0000 0.0000 34288.9434 -149463.1934 299.4539 -183752.1369 -149368.0835 298.7269 -76.3171 -48.3722 557475.8365 0.3405 0.2448 PRESSURE: 4543000 132.755 37.1226 12.2785 37.1218 -1.73667 123.547 12.2771 123.545 -127.101 GPRESSURE: 4543000 126.732 -27.7187 30.2389 74.8838 32.8374 -18.0032 56.9325 181.038 -62.4081 PRESSAVG: 4543000 9.84383 -47.7688 47.5673 -47.7688 -41.8741 -5.58112 47.5674 -5.58105 70.5763 GPRESSAVG: 4543000 10.9324 -48.1625 49.8751 -46.6931 -42.6762 -4.6726 46.6806 -5.51479 70.3505 TIMING: 4543000 CPU: 13200.4, 0.00292252/step Wall: 13200.4, 0.00292252/step, 0.370998 hours remaining, 208.515625 MB of memory in use. ENERGY: 4543000 714.9211 2130.5878 1974.2285 113.0086 -206430.0979 17875.5443 0.0000 0.0000 34160.0844 -149461.7232 298.3285 -183621.8076 -149364.6794 299.2575 1.3056 32.3870 558304.3842 12.8487 12.8689 PRESSURE: 4543200 132.511 -69.3286 10.7953 -69.3275 -306.963 -80.8691 10.7952 -80.87 -174.776 GPRESSURE: 4543200 149.413 -87.8192 -108.753 -105.262 -280.294 -131.784 60.079 -34.4378 -136.843 PRESSAVG: 4543200 105.491 -76.7882 -32.0732 -76.7882 -111.278 48.2596 -32.0733 48.2596 4.48941 GPRESSAVG: 4543200 104.281 -76.5662 -31.3067 -77.9733 -110.055 46.8051 -34.3954 50.0672 4.53001 TIMING: 4543200 CPU: 13201, 0.00290242/step Wall: 13201, 0.00290242/step, 0.368285 hours remaining, 208.515625 MB of memory in use. ENERGY: 4543200 765.3035 2047.7004 1960.5098 123.7825 -206373.5164 17787.2972 0.0000 0.0000 34097.5974 -149591.3256 297.7828 -183688.9231 -149489.1437 298.4056 -116.4094 -89.2415 557891.9680 -0.4322 -0.4149 PRESSURE: 4543400 -371.103 -40.7167 -146.61 -40.7166 -76.7449 16.6869 -146.61 16.6901 -81.3246 GPRESSURE: 4543400 -273.206 -109.183 -178.292 -49.3364 -66.9926 32.9836 -169.873 -32.0548 -86.9992 PRESSAVG: 4543400 55.0031 19.3404 -5.83203 19.3404 -77.7437 -7.85441 -5.83208 -7.85443 17.8435 GPRESSAVG: 4543400 55.8496 18.8933 -6.81141 19.1811 -78.0803 -5.6744 -4.51313 -10.1733 17.1043 TIMING: 4543400 CPU: 13201.5, 0.00290187/step Wall: 13201.5, 0.00290187/step, 0.368054 hours remaining, 208.585938 MB of memory in use. ENERGY: 4543400 747.7846 2165.3033 1977.9375 116.2288 -206712.8720 17946.7872 0.0000 0.0000 34242.5307 -149516.2999 299.0485 -183758.8306 -149422.4866 298.5999 -176.3908 -142.3993 558703.7968 -1.6324 -1.7088 PRESSURE: 4543600 88.766 -18.3138 -1.92514 -18.3141 -123.44 48.9986 -1.9238 48.9984 198.61 GPRESSURE: 4543600 118.241 -13.6962 31.4687 -6.24714 -47.995 144.201 -62.581 -141.358 200.177 PRESSAVG: 4543600 26.3857 -11.8334 -57.6618 -11.8335 -57.962 14.4136 -57.6617 14.4136 78.0505 GPRESSAVG: 4543600 26.5176 -11.3924 -58.11 -12.4644 -58.6026 14.6121 -57.9308 13.6663 77.9393 TIMING: 4543600 CPU: 13202.1, 0.00289336/step Wall: 13202.1, 0.00289336/step, 0.366814 hours remaining, 208.585938 MB of memory in use. ENERGY: 4543600 739.3342 2120.2032 1966.9661 122.7554 -206220.3440 17819.3866 0.0000 0.0000 34061.0685 -149390.6301 297.4638 -183451.6986 -149289.3561 298.3701 54.6455 90.1411 556779.5396 15.4914 15.2848 PRESSURE: 4543800 19.7548 -138.993 -38.7899 -138.994 -204.633 -102.828 -38.7897 -102.829 -63.0207 GPRESSURE: 4543800 37.5805 -108.261 8.0912 -97.9174 -156.609 -55.2953 -93.5984 -126.544 -29.5674 PRESSAVG: 4543800 36.1212 -46.2711 8.18082 -46.2712 -83.737 -55.3611 8.18084 -55.361 38.4169 GPRESSAVG: 4543800 37.1988 -46.729 9.34077 -46.428 -83.3979 -57.4024 7.54141 -53.0834 36.894 TIMING: 4543800 CPU: 13202.7, 0.00289881/step Wall: 13202.7, 0.00289881/step, 0.367344 hours remaining, 208.585938 MB of memory in use. ENERGY: 4543800 767.2788 2192.2786 1959.9278 117.9478 -206590.0664 17857.8089 0.0000 0.0000 34161.7339 -149533.0906 298.3429 -183694.8245 -149442.7243 298.6297 -82.6329 -49.5321 555609.1833 -3.0663 -3.1017 PRESSURE: 4544000 -87.124 -117.169 -48.9795 -117.17 184.453 137.822 -48.9805 137.823 -190.031 GPRESSURE: 4544000 -17.7804 -117.665 -47.6393 -129.511 174.282 178.672 -115.558 76.9087 -150.294 PRESSAVG: 4544000 39.7711 -24.2003 -12.5922 -24.2004 -40.3304 -78.8009 -12.5922 -78.8009 47.2229 GPRESSAVG: 4544000 38.3801 -23.0673 -12.9638 -25.0195 -41.3376 -75.6429 -10.969 -78.8339 48.8406 TIMING: 4544000 CPU: 13203.3, 0.00289414/step Wall: 13203.3, 0.00289414/step, 0.366591 hours remaining, 208.585938 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: 4544000 746.7232 2112.7645 1955.9512 112.2162 -206642.9995 17828.7719 0.0000 0.0000 34188.6244 -149697.9480 298.5778 -183886.5724 -149600.3325 298.0755 -30.9005 2.0692 555588.4542 15.5545 15.2944 PRESSURE: 4544200 183.22 -98.6001 -119.857 -98.6012 -72.0805 -125.794 -119.857 -125.794 271.767 GPRESSURE: 4544200 182.322 -132.207 -96.3764 -42.0601 16.6899 -35.3362 -44.9222 -191.777 288.471 PRESSAVG: 4544200 0.918436 -35.9863 -19.8324 -35.9862 -2.89141 -17.7192 -19.8324 -17.7192 75.6355 GPRESSAVG: 4544200 0.56056 -38.3138 -21.9119 -33.2374 -1.37612 -17.8035 -18.6357 -20.9847 74.0979 TIMING: 4544200 CPU: 13203.9, 0.00290085/step Wall: 13203.9, 0.00290085/step, 0.367279 hours remaining, 208.585938 MB of memory in use. ENERGY: 4544200 709.4668 2117.7468 1967.3894 113.8959 -206625.3338 18042.0795 0.0000 0.0000 34068.4582 -149606.2972 297.5283 -183674.7554 -149509.7019 298.2914 127.6355 162.4942 556474.9057 24.5542 24.4275 LDB: ============= START OF LOAD BALANCING ============== 13207.3 LDB: ============== END OF LOAD BALANCING =============== 13207.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13207.3 LDB: ============= START OF LOAD BALANCING ============== 13207.6 LDB: Largest compute 4848 load 0.029792 is 25.3% of average load 0.117831 LDB: Average compute 0.001739 is 1.5% of average load 0.117831 LDB: TIME 13207.6 LOAD: AVG 0.117831 MAX 0.182504 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 13207.6 LOAD: AVG 0.117831 MAX 0.182504 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: TIME 13207.6 LOAD: AVG 0.117831 MAX 0.182504 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.895 MB LDB: ============== END OF LOAD BALANCING =============== 13207.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13207.6 PRESSURE: 4544400 -7.19027 -42.4346 69.9081 -42.4345 164.508 52.6321 69.9081 52.6317 19.1823 GPRESSURE: 4544400 19.4289 19.8575 135.309 -95.0992 189.479 33.1043 69.722 48.4968 69.6767 PRESSAVG: 4544400 32.0883 27.4042 -6.45085 27.4042 -49.3527 -20.2051 -6.45089 -20.2052 22.8884 GPRESSAVG: 4544400 32.8742 29.8576 -4.32828 25.5102 -50.4943 -21.3814 -8.98043 -18.9201 23.1841 TIMING: 4544400 CPU: 13204.5, 0.00296864/step Wall: 13204.5, 0.00296864/step, 0.375698 hours remaining, 207.058594 MB of memory in use. ENERGY: 4544400 698.2465 2157.7732 1950.0501 115.7943 -206099.8836 17769.0228 0.0000 0.0000 34029.7746 -149379.2221 297.1905 -183408.9966 -149292.5518 298.1580 58.8335 92.8614 558545.1502 1.8747 1.8547 PRESSURE: 4544600 286.853 -29.575 -136.322 -29.5754 220.131 -42.3309 -136.323 -42.3312 -47.7915 GPRESSURE: 4544600 372.291 -11.0379 -170.916 -3.56167 245.927 -132.484 -90.1486 -28.9338 -40.7554 PRESSAVG: 4544600 15.9511 61.1969 -11.2948 61.1969 -11.222 42.4939 -11.2949 42.4939 5.51061 GPRESSAVG: 4544600 15.8777 62.1437 -11.6296 61.7763 -12.9879 41.57 -11.8135 44.2813 6.96581 TIMING: 4544600 CPU: 13205, 0.0029154/step Wall: 13205, 0.0029154/step, 0.368798 hours remaining, 207.070312 MB of memory in use. ENERGY: 4544600 734.8343 2092.9013 1946.1745 112.5316 -206261.5490 18108.4810 0.0000 0.0000 33986.9907 -149279.6356 296.8168 -183266.6264 -149194.2498 298.9143 153.0644 192.4878 558108.9961 3.4132 3.2852 PRESSURE: 4544800 44.6483 -47.322 57.9486 -47.3222 -361.127 22.4879 57.9504 22.4879 -57.2521 GPRESSURE: 4544800 41.725 -17.5369 82.9766 -136.988 -313.525 -70.0898 -28.444 3.14128 1.62468 PRESSAVG: 4544800 12.8638 20.5859 -37.3408 20.5859 -16.298 29.8278 -37.3407 29.8279 -30.2381 GPRESSAVG: 4544800 12.158 19.3133 -38.9587 21.0268 -14.8451 27.0662 -35.381 29.5335 -30.6749 TIMING: 4544800 CPU: 13205.6, 0.0029388/step Wall: 13205.6, 0.0029388/step, 0.371595 hours remaining, 207.070312 MB of memory in use. ENERGY: 4544800 768.2210 2080.3966 1991.5534 107.2905 -206245.7225 17751.6168 0.0000 0.0000 34373.3941 -149173.2501 300.1914 -183546.6442 -149075.1518 299.1237 -124.5768 -90.0585 558621.7514 -11.2241 -11.1207 PRESSURE: 4545000 -110.521 -11.3865 -43.038 -11.3865 -288.855 255.894 -43.0381 255.893 -250.095 GPRESSURE: 4545000 -4.55394 30.8181 -23.2515 42.4697 -258.487 188.658 -9.5727 230.958 -278.825 PRESSAVG: 4545000 16.0689 -8.34506 20.0878 -8.34503 -28.2947 57.0571 20.0878 57.0573 17.9049 GPRESSAVG: 4545000 16.6503 -7.63283 22.0876 -9.92151 -27.1819 58.9059 18.6873 57.5179 15.8767 TIMING: 4545000 CPU: 13206.2, 0.0029265/step Wall: 13206.2, 0.0029265/step, 0.369877 hours remaining, 207.070312 MB of memory in use. ENERGY: 4545000 796.0861 2034.4127 1945.1028 115.0677 -206026.8112 17637.1791 0.0000 0.0000 34373.3217 -149125.6412 300.1908 -183498.9628 -149028.8476 298.5968 -216.4905 -180.6219 559346.7514 1.8930 1.7817 PRESSURE: 4545200 -71.3425 52.7966 -26.229 52.7969 -82.7897 55.0692 -26.2292 55.069 -61.8634 GPRESSURE: 4545200 -36.8786 42.2637 -34.5045 104.01 -69.9369 -4.33079 -42.5759 98.6992 -0.81251 PRESSAVG: 4545200 72.9675 16.8097 9.63823 16.8097 -61.6911 -41.6975 9.63818 -41.6975 7.63804 GPRESSAVG: 4545200 74.0486 16.812 8.74612 18.1265 -62.5713 -42.2277 9.26811 -43.0751 7.82748 TIMING: 4545200 CPU: 13206.8, 0.00292235/step Wall: 13206.8, 0.00292235/step, 0.36919 hours remaining, 207.070312 MB of memory in use. ENERGY: 4545200 741.0999 2081.4847 1953.3778 107.3119 -206144.5966 17829.1500 0.0000 0.0000 34205.2115 -149226.9607 298.7226 -183432.1722 -149131.8636 298.7656 -71.9986 -35.8760 557910.2818 6.3048 6.4349 PRESSURE: 4545400 34.0167 -93.221 36.2196 -93.2206 -221.579 36.1574 36.2202 36.1566 -17.4677 GPRESSURE: 4545400 98.4174 -55.1246 64.0344 -21.6419 -165.916 154.696 71.7331 -14.4611 -40.0428 PRESSAVG: 4545400 -35.6318 1.96409 18.4105 1.96411 -15.7815 -2.01419 18.4106 -2.01424 49.7541 GPRESSAVG: 4545400 -35.22 1.48118 17.5552 0.287076 -16.367 0.887143 20.1996 -0.706542 49.5857 TIMING: 4545400 CPU: 13207.4, 0.0029047/step Wall: 13207.4, 0.0029047/step, 0.366799 hours remaining, 207.070312 MB of memory in use. ENERGY: 4545400 768.2656 2056.0216 1959.6113 109.1476 -206344.0709 17878.5172 0.0000 0.0000 34273.6604 -149298.8473 299.3204 -183572.5077 -149203.7367 298.5023 -68.3434 -35.8470 558450.0095 -0.5531 -0.6671 PRESSURE: 4545600 -78.4227 -52.2099 4.84658 -52.2105 -123.938 -124.946 4.8479 -124.946 -53.2539 GPRESSURE: 4545600 -33.2708 -52.391 6.22134 -73.1062 -91.0174 -159.466 65.0192 -82.035 -38.4576 PRESSAVG: 4545600 93.4612 10.4849 27.1814 10.485 -113.854 8.12679 27.1815 8.12684 34.216 GPRESSAVG: 4545600 91.7113 12.5905 27.9971 8.75981 -112.939 6.44398 27.5102 7.28741 34.7732 TIMING: 4545600 CPU: 13208, 0.00290648/step Wall: 13208, 0.00290648/step, 0.366862 hours remaining, 207.070312 MB of memory in use. ENERGY: 4545600 711.5809 2096.7477 1975.2112 119.3529 -206167.4364 17731.9447 0.0000 0.0000 34333.3088 -149199.2902 299.8413 -183532.5990 -149099.6331 299.0957 -85.2050 -54.2486 558626.8805 4.6076 4.5151 PRESSURE: 4545800 34.2368 123.877 77.6769 123.877 14.3096 48.716 77.6782 48.7156 -391.948 GPRESSURE: 4545800 69.1965 157.272 61.1523 73.9194 48.8149 28.1765 96.8744 31.8598 -379.633 PRESSAVG: 4545800 33.2241 -6.9822 -14.7087 -6.98231 -18.3625 -13.1811 -14.7089 -13.1812 -35.0766 GPRESSAVG: 4545800 34.3445 -8.98891 -14.3999 -4.10966 -18.535 -13.5953 -15.9995 -13.7199 -35.7392 TIMING: 4545800 CPU: 13208.5, 0.00290408/step Wall: 13208.5, 0.00290408/step, 0.366398 hours remaining, 207.070312 MB of memory in use. ENERGY: 4545800 767.9902 2039.6023 1994.0348 114.3955 -205914.2975 17644.8331 0.0000 0.0000 34191.9063 -149161.5353 298.6064 -183353.4417 -149055.0270 299.6735 -114.4674 -87.2074 557348.0141 -6.7383 -6.6432 PRESSURE: 4546000 -115.26 35.8682 110.581 35.8679 137.048 37.6343 110.581 37.6337 6.54332 GPRESSURE: 4546000 -62.2785 31.4017 105.277 15.897 155.888 67.9322 115.261 -8.33812 34.9105 PRESSAVG: 4546000 2.69002 -29.6468 18.8845 -29.6468 2.39568 -5.27721 18.8845 -5.27716 -4.71056 GPRESSAVG: 4546000 3.13105 -28.719 18.5419 -28.9654 3.40577 -3.98273 19.0676 -5.29707 -5.69362 TIMING: 4546000 CPU: 13209.1, 0.00291633/step Wall: 13209.1, 0.00291633/step, 0.367782 hours remaining, 207.070312 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: 4546000 755.6065 2052.7177 1934.3272 100.9761 -206114.3141 17782.8052 0.0000 0.0000 34249.1356 -149238.7458 299.1062 -183487.8815 -149143.2298 298.9572 9.4439 42.8398 557464.2458 0.1250 0.2811 PRESSURE: 4546200 168.346 135.733 -41.0593 135.734 -112.398 -5.40395 -41.0608 -5.40435 26.5035 GPRESSURE: 4546200 190.695 117.568 18.81 121.838 -31.7157 11.5245 -67.8904 -10.8858 26.3869 PRESSAVG: 4546200 -82.2105 38.1922 86.6688 38.1922 31.9059 -24.0633 86.6687 -24.0631 30.7133 GPRESSAVG: 4546200 -81.5327 37.28 89.2387 38.2999 29.3405 -26.1037 86.1581 -22.0039 32.6536 TIMING: 4546200 CPU: 13209.7, 0.00289501/step Wall: 13209.7, 0.00289501/step, 0.364932 hours remaining, 207.070312 MB of memory in use. ENERGY: 4546200 764.6333 2099.5375 1956.0617 102.9266 -206257.4454 17896.1058 0.0000 0.0000 34241.4164 -149196.7642 299.0388 -183438.1806 -149105.0492 298.9777 27.4836 61.7886 556332.0786 -6.5304 -6.5129 PRESSURE: 4546400 92.5913 166.108 -51.5179 166.106 -162.709 -8.52573 -51.5184 -8.52357 22.4187 GPRESSURE: 4546400 165.357 191.38 27.6151 108.21 -103.891 16.4358 -77.3305 63.9176 -15.054 PRESSAVG: 4546400 4.69641 -20.6443 -0.821797 -20.6442 -37.568 3.84626 -0.821651 3.84619 5.02095 GPRESSAVG: 4546400 4.30224 -19.3853 -1.72022 -22.5309 -36.5527 5.80948 1.2458 2.17351 4.4857 TIMING: 4546400 CPU: 13210.3, 0.00289247/step Wall: 13210.3, 0.00289247/step, 0.364452 hours remaining, 207.070312 MB of memory in use. ENERGY: 4546400 747.4403 2133.3462 1926.4355 104.1904 -206064.5235 17948.9533 0.0000 0.0000 34119.4811 -149084.6768 297.9739 -183204.1579 -148994.9068 298.7980 -15.8998 15.4706 557747.6262 -9.2835 -9.2549 PRESSURE: 4546600 47.203 14.793 -230.859 14.7919 -92.7915 45.6865 -230.858 45.6867 -127.126 GPRESSURE: 4546600 49.3797 99.1969 -251.004 24.2067 -72.8883 -24.5182 -235.806 -10.2768 -63.8116 PRESSAVG: 4546600 31.998 26.2968 -58.4815 26.2968 -18.6409 50.4766 -58.4816 50.4766 20.8612 GPRESSAVG: 4546600 32.4663 24.4124 -57.8392 28.659 -19.1937 49.796 -61.2906 51.7831 20.8437 TIMING: 4546600 CPU: 13210.9, 0.002912/step Wall: 13210.9, 0.002912/step, 0.36675 hours remaining, 207.070312 MB of memory in use. ENERGY: 4546600 733.7293 2146.0120 1949.3647 117.1296 -206148.6262 17763.8693 0.0000 0.0000 34391.4704 -149047.0509 300.3493 -183438.5214 -148955.9596 298.9839 -57.5716 -29.1067 556671.5405 11.4061 11.3721 PRESSURE: 4546800 42.5857 -84.1522 -62.2557 -84.1536 49.0676 65.0641 -62.2556 65.0657 -31.2354 GPRESSURE: 4546800 35.9884 -53.4725 70.6434 -154.11 89.5895 105.354 -15.3773 24.1995 43.7604 PRESSAVG: 4546800 -73.6618 35.413 27.7694 35.413 40.5132 28.4947 27.7693 28.4947 17.7492 GPRESSAVG: 4546800 -73.8868 36.0779 25.8406 33.4721 41.7401 28.0486 28.93 28.3789 17.7004 TIMING: 4546800 CPU: 13211.4, 0.00289637/step Wall: 13211.4, 0.00289637/step, 0.364621 hours remaining, 207.070312 MB of memory in use. ENERGY: 4546800 753.4408 2116.3190 1959.0003 102.3583 -206064.3215 17825.0900 0.0000 0.0000 34444.5305 -148863.5827 300.8127 -183308.1132 -148764.2528 300.2674 20.1393 56.4461 556966.7592 -5.1332 -4.8154 PRESSURE: 4547000 13.7484 91.7842 137.562 91.7851 233.503 27.3786 137.562 27.3771 278.402 GPRESSURE: 4547000 36.3706 80.2941 110.935 16.4914 269.636 -14.2685 159.034 17.4376 318.425 PRESSAVG: 4547000 26.3988 -6.39059 -37.0303 -6.39057 2.58544 -53.2325 -37.0303 -53.2325 -6.4134 GPRESSAVG: 4547000 27.0777 -4.74528 -36.9605 -5.55118 1.97109 -54.1557 -36.3873 -52.8319 -6.29566 TIMING: 4547000 CPU: 13212, 0.00289338/step Wall: 13212, 0.00289338/step, 0.364084 hours remaining, 207.070312 MB of memory in use. ENERGY: 4547000 776.1687 2149.2316 1963.3562 120.9141 -206407.4163 18063.1809 0.0000 0.0000 34217.3899 -149117.1749 298.8290 -183334.5647 -149021.1049 300.3415 175.2177 208.1439 555889.0650 7.5236 7.5844 PRESSURE: 4547200 92.6832 143.272 100.339 143.273 -85.647 -70.381 100.338 -70.3808 -166.397 GPRESSURE: 4547200 85.462 110.864 89.3946 181.319 -39.5008 -82.782 65.1893 -119.605 -123.268 PRESSAVG: 4547200 22.5197 -2.59249 63.9645 -2.59245 30.7309 31.1743 63.9645 31.1742 -40.3662 GPRESSAVG: 4547200 20.8004 -3.80364 64.936 -4.01535 30.9125 32.1482 63.901 29.7049 -38.6759 TIMING: 4547200 CPU: 13212.6, 0.00290694/step Wall: 13212.6, 0.00290694/step, 0.365629 hours remaining, 207.070312 MB of memory in use. ENERGY: 4547200 733.0935 2017.0506 1993.2278 112.0122 -206247.8105 17713.6378 0.0000 0.0000 34392.3831 -149286.4055 300.3572 -183678.7887 -149200.0526 298.8594 -53.1203 -25.7691 556940.5589 4.2948 4.3457 PRESSURE: 4547400 258.46 28.7371 -12.2605 28.7393 -261.429 -132.334 -12.2607 -132.334 234.308 GPRESSURE: 4547400 283.715 -99.7513 14.0548 62.9816 -227.509 -149.513 -11.4115 -89.6692 277.234 PRESSAVG: 4547400 -16.4021 10.9095 49.0319 10.9096 27.84 -50.0435 49.0319 -50.0435 41.4121 GPRESSAVG: 4547400 -16.1248 9.03356 46.9795 12.9312 29.5912 -49.0094 49.2421 -49.618 39.4692 TIMING: 4547400 CPU: 13213.2, 0.00289816/step Wall: 13213.2, 0.00289816/step, 0.364363 hours remaining, 207.070312 MB of memory in use. ENERGY: 4547400 772.5661 2096.6275 1949.4386 117.7336 -206011.0668 17821.9018 0.0000 0.0000 34034.1592 -149218.6401 297.2288 -183252.7993 -149122.8903 299.4311 77.1131 111.1466 555871.7963 17.6167 17.6452 PRESSURE: 4547600 14.9052 -19.3412 75.693 -19.3407 208.682 -173.058 75.6936 -173.057 87.2295 GPRESSURE: 4547600 63.8351 -61.432 63.3125 13.1475 255.792 -140.92 94.3019 -204.598 89.9737 PRESSAVG: 4547600 -14.3267 -31.757 -36.3357 -31.757 7.18092 -53.8222 -36.3357 -53.8224 -13.4649 GPRESSAVG: 4547600 -13.7548 -30.7782 -36.436 -32.3334 6.06888 -55.6575 -36.4838 -53.9616 -13.2171 TIMING: 4547600 CPU: 13213.8, 0.00289694/step Wall: 13213.8, 0.00289694/step, 0.364049 hours remaining, 207.070312 MB of memory in use. ENERGY: 4547600 767.9074 2126.6014 1951.3202 118.6697 -206150.4482 17760.0456 0.0000 0.0000 34093.4238 -149332.4800 297.7463 -183425.9038 -149238.3172 298.4069 103.6055 136.5334 554223.5446 -6.8702 -6.9677 PRESSURE: 4547800 148.67 -57.539 -73.1685 -57.5393 75.5341 -88.8319 -73.1676 -88.8314 -118.338 GPRESSURE: 4547800 112.937 -116.274 11.376 -118.979 165.81 -60.3794 -73.851 -84.8793 -72.4936 PRESSAVG: 4547800 -3.29363 -47.0194 16.7367 -47.0194 8.26679 -91.7212 16.7367 -91.7212 24.2426 GPRESSAVG: 4547800 -4.52323 -46.2503 17.4809 -45.5869 8.67562 -91.4803 15.6542 -90.142 24.7203 TIMING: 4547800 CPU: 13214.3, 0.0029089/step Wall: 13214.3, 0.0029089/step, 0.36539 hours remaining, 207.070312 MB of memory in use. ENERGY: 4547800 751.6006 2108.1773 1957.4747 119.4232 -206456.7431 17977.1409 0.0000 0.0000 34208.9636 -149333.9629 298.7554 -183542.9264 -149242.3138 299.1951 35.2887 68.7512 557237.2753 9.7386 9.6242 PRESSURE: 4548000 -233.031 -76.6243 57.0624 -76.626 -300.965 104.764 57.0619 104.766 -429.78 GPRESSURE: 4548000 -229.671 -130.921 78.9743 -17.6458 -295.316 40.7781 63.7547 63.0725 -348.553 PRESSAVG: 4548000 43.1797 -13.6614 43.3965 -13.6614 -21.9114 28.9199 43.3964 28.9198 -27.5963 GPRESSAVG: 4548000 44.7476 -14.6515 45.613 -15.6165 -22.3116 28.1177 43.3528 26.2359 -28.9712 TIMING: 4548000 CPU: 13214.9, 0.00289704/step Wall: 13214.9, 0.00289704/step, 0.363739 hours remaining, 207.070312 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: 4548000 757.7649 2103.2204 1959.1424 119.1251 -205679.3869 17228.4693 0.0000 0.0000 34163.6248 -149348.0400 298.3594 -183511.6649 -149246.5174 299.3012 -321.2588 -291.1803 557291.9226 -2.1093 -2.1784 PRESSURE: 4548200 121.865 61.5597 73.0193 61.5589 -6.83175 -76.4926 73.019 -76.4938 -103.212 GPRESSURE: 4548200 147.504 73.3413 -7.30749 -22.2689 69.251 5.63164 145.819 -59.5426 -107.859 PRESSAVG: 4548200 -28.1274 -18.0617 39.1357 -18.0617 10.9706 -7.85017 39.1356 -7.85008 -10.981 GPRESSAVG: 4548200 -28.3662 -15.9412 38.508 -16.2306 10.8959 -7.0202 41.1016 -6.5271 -10.3637 TIMING: 4548200 CPU: 13215.5, 0.00289691/step Wall: 13215.5, 0.00289691/step, 0.363563 hours remaining, 207.070312 MB of memory in use. ENERGY: 4548200 762.3747 2090.3297 1977.2020 104.5888 -206481.0707 17862.2398 0.0000 0.0000 34346.8157 -149337.5201 299.9593 -183684.3358 -149243.6220 299.0726 3.9405 36.2987 556483.7068 -9.3792 -9.2780 LDB: ============= START OF LOAD BALANCING ============== 13219 LDB: ============== END OF LOAD BALANCING =============== 13219 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13219 LDB: ============= START OF LOAD BALANCING ============== 13219.3 LDB: Largest compute 4848 load 0.029894 is 25.4% of average load 0.117801 LDB: Average compute 0.001738 is 1.5% of average load 0.117801 LDB: TIME 13219.3 LOAD: AVG 0.117801 MAX 0.181653 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.125 MB LDB: TIME 13219.3 LOAD: AVG 0.117801 MAX 0.181653 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: TIME 13219.3 LOAD: AVG 0.117801 MAX 0.181653 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13219.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13219.3 PRESSURE: 4548400 -112.117 87.0681 -78.0923 87.067 54.2755 37.8057 -78.0915 37.806 366.179 GPRESSURE: 4548400 -25.4408 85.0897 -67.9396 51.5332 39.0374 24.839 -118.533 13.5421 386.983 PRESSAVG: 4548400 -1.28577 30.3292 34.6248 30.3293 9.25735 -47.5588 34.6248 -47.5588 -11.0397 GPRESSAVG: 4548400 -1.35965 28.9126 32.9736 30.4876 8.03609 -47.8939 34.2188 -48.5358 -9.78693 TIMING: 4548400 CPU: 13216.1, 0.00298537/step Wall: 13216.1, 0.00298537/step, 0.374498 hours remaining, 206.914062 MB of memory in use. ENERGY: 4548400 747.5258 2069.4262 1953.5867 115.8938 -206489.9673 17924.3074 0.0000 0.0000 34326.2579 -149352.9694 299.7797 -183679.2273 -149249.0900 299.5121 102.7793 133.5264 555794.5019 -1.0227 -1.0368 PRESSURE: 4548600 180.594 -64.7489 -179.818 -64.7502 -39.1926 -66.2962 -179.818 -66.2975 -46.9604 GPRESSURE: 4548600 196.095 -34.6059 -231.651 -16.1611 16.7141 -39.4969 -85.6464 -32.4223 -23.9736 PRESSAVG: 4548600 -7.39981 17.2528 -52.9112 17.2529 -26.9676 1.83209 -52.9112 1.83219 53.5412 GPRESSAVG: 4548600 -7.31449 19.2785 -50.4644 16.0098 -25.6246 1.60208 -57.1352 1.93496 52.2235 TIMING: 4548600 CPU: 13216.7, 0.00289111/step Wall: 13216.7, 0.00289111/step, 0.362513 hours remaining, 207.171875 MB of memory in use. ENERGY: 4548600 744.0450 2095.4145 1947.3990 124.7992 -206268.1652 17811.7786 0.0000 0.0000 34113.1010 -149431.6277 297.9182 -183544.7288 -149336.1616 299.0419 31.4804 62.9452 556896.1214 6.3913 6.4282 PRESSURE: 4548800 -122.553 23.9546 -23.4271 23.9556 -272.076 -72.2784 -23.4273 -72.2788 -228.026 GPRESSURE: 4548800 -140.472 -42.9626 35.8105 -36.0723 -240.923 -17.8856 12.6688 -110.838 -157.574 PRESSAVG: 4548800 -29.162 5.10783 -54.3239 5.10788 -11.1241 -33.5601 -54.3239 -33.5601 25.0186 GPRESSAVG: 4548800 -29.4183 5.86932 -56.6338 4.74517 -11.811 -34.0585 -50.9791 -31.9708 25.5712 TIMING: 4548800 CPU: 13217.3, 0.00289965/step Wall: 13217.3, 0.00289965/step, 0.363423 hours remaining, 207.171875 MB of memory in use. ENERGY: 4548800 768.0207 2075.2875 1956.6654 116.3515 -206257.0247 17572.0037 0.0000 0.0000 34302.1632 -149466.5327 299.5693 -183768.6959 -149373.2400 299.0780 -207.5515 -179.6565 556311.3239 -5.0892 -5.2194 PRESSURE: 4549000 217.346 39.1135 -66.7438 39.1135 58.8152 -108.547 -66.7433 -108.548 -56.3628 GPRESSURE: 4549000 234.103 13.4178 -54.6605 91.259 137.996 -47.5378 -95.7088 -144.041 -56.1322 PRESSAVG: 4549000 -42.2571 1.5475 17.8097 1.54767 52.5478 28.5208 17.8097 28.5208 3.75061 GPRESSAVG: 4549000 -42.1654 -0.943868 18.9017 3.7571 52.9348 30.0712 16.595 28.1043 3.74339 TIMING: 4549000 CPU: 13217.8, 0.00288956/step Wall: 13217.8, 0.00288956/step, 0.361998 hours remaining, 207.171875 MB of memory in use. ENERGY: 4549000 754.9783 2107.2698 1972.4556 114.9650 -206540.1643 17973.4868 0.0000 0.0000 34329.5372 -149287.4717 299.8084 -183617.0089 -149190.7111 298.9131 73.2661 105.3222 556447.4517 4.6805 4.8376 PRESSURE: 4549200 189.451 51.9141 19.7436 51.9125 235.046 116.433 19.7441 116.432 186.065 GPRESSURE: 4549200 233.54 45.2865 18.5688 48.511 257.065 91.4079 -26.7368 86.0358 232.768 PRESSAVG: 4549200 47.2239 24.466 18.3144 24.466 16.389 -1.70715 18.3144 -1.70719 -73.2381 GPRESSAVG: 4549200 48.3314 26.1237 16.7309 22.1317 15.1757 -2.1722 17.8351 -2.36955 -72.8226 TIMING: 4549200 CPU: 13218.4, 0.00290381/step Wall: 13218.4, 0.00290381/step, 0.363622 hours remaining, 207.171875 MB of memory in use. ENERGY: 4549200 768.3392 2105.3842 1962.1171 118.2519 -206818.2413 18327.5960 0.0000 0.0000 34307.6627 -149228.8903 299.6174 -183536.5530 -149137.8707 299.6623 203.5207 241.1242 556888.1811 -3.2084 -3.1052 PRESSURE: 4549400 -118.486 23.1694 65.7541 23.1685 -165.314 -101.404 65.754 -101.403 -74.8603 GPRESSURE: 4549400 -70.6758 44.4006 54.6683 42.5848 -200.21 -72.2594 70.1472 -84.7659 6.81287 PRESSAVG: 4549400 32.4904 -19.5847 -24.7431 -19.5848 -29.6756 21.5594 -24.7431 21.5594 38.7049 GPRESSAVG: 4549400 32.3875 -19.4428 -22.3495 -18.7545 -28.859 21.3349 -22.9358 21.3833 37.5977 TIMING: 4549400 CPU: 13219, 0.00293177/step Wall: 13219, 0.00293177/step, 0.36696 hours remaining, 207.171875 MB of memory in use. ENERGY: 4549400 706.1397 2067.1245 1960.0511 109.6520 -205992.8696 17544.1840 0.0000 0.0000 34459.3737 -149146.3445 300.9423 -183605.7182 -149043.7513 299.9586 -119.5536 -88.0244 556736.5823 13.8399 13.7087 PRESSURE: 4549600 58.576 96.2833 68.9106 96.2837 79.6526 84.5055 68.9119 84.5032 87.4265 GPRESSURE: 4549600 100.571 201.691 -46.9471 24.8351 160.149 114.939 -35.3082 104.414 64.0675 PRESSAVG: 4549600 -37.804 16.3957 -22.4832 16.3956 2.1695 47.4593 -22.4832 47.4592 42.9874 GPRESSAVG: 4549600 -38.713 16.3548 -24.3809 18.3287 2.76053 46.8957 -23.9874 47.5762 43.3803 TIMING: 4549600 CPU: 13219.6, 0.00294544/step Wall: 13219.6, 0.00294544/step, 0.368507 hours remaining, 207.230469 MB of memory in use. ENERGY: 4549600 749.4655 2085.4461 2013.4247 126.7259 -206296.3624 18015.5774 0.0000 0.0000 34145.8678 -149159.8550 298.2044 -183305.7228 -149062.6170 298.8275 75.2184 108.2624 557552.5579 2.4510 2.4759 PRESSURE: 4549800 -237.843 -18.4792 -20.8234 -18.4799 27.5238 72.6998 -20.8234 72.7014 160.584 GPRESSURE: 4549800 -157.921 -90.3691 -48.786 52.9742 7.5639 81.4364 16.8885 90.4236 199.139 PRESSAVG: 4549800 -132.537 76.0583 -21.6761 76.0583 9.32225 33.7794 -21.6762 33.7793 72.3325 GPRESSAVG: 4549800 -131.692 74.9953 -21.6297 75.8644 8.41428 31.111 -20.7111 35.2088 72.1997 TIMING: 4549800 CPU: 13220.2, 0.00291662/step Wall: 13220.2, 0.00291662/step, 0.36474 hours remaining, 207.242188 MB of memory in use. ENERGY: 4549800 720.5479 2120.2118 1971.5340 118.8877 -206064.6713 17777.7311 0.0000 0.0000 34300.6526 -149055.1062 299.5561 -183355.7588 -148962.7935 298.8635 -16.5782 16.2608 557972.0911 -16.9608 -17.0260 PRESSURE: 4550000 45.938 11.4029 164.96 11.4024 -45.1161 -129.164 164.96 -129.163 25.0008 GPRESSURE: 4550000 75.9211 119.89 265.449 -78.4031 -1.635 -148.929 82.3774 -142.872 46.0131 PRESSAVG: 4550000 -126.728 61.635 38.3667 61.635 84.6859 10.8112 38.3667 10.8113 8.77982 GPRESSAVG: 4550000 -127.039 62.5116 38.8399 60.6317 84.7383 12.7346 40.0678 10.1673 8.58644 TIMING: 4550000 CPU: 13220.8, 0.00293307/step Wall: 13220.8, 0.00293307/step, 0.366634 hours remaining, 207.242188 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: 4550000 758.5068 2157.3172 1964.7545 113.1826 -206570.1045 18039.3046 0.0000 0.0000 34345.9369 -149191.1019 299.9516 -183537.0388 -149079.7503 298.9123 8.6076 40.0997 558520.7249 -11.0875 -11.2382 PRESSURE: 4550200 64.2561 5.03592 -42.5794 5.03546 -266.022 131.25 -42.5781 131.251 18.664 GPRESSURE: 4550200 10.4503 27.7321 -46.9932 -9.27636 -184.056 136.904 -80.1141 161.586 76.0089 PRESSAVG: 4550200 22.7162 61.1789 -18.1782 61.1789 -99.1933 47.4349 -18.1782 47.435 81.9802 GPRESSAVG: 4550200 22.3759 61.6878 -17.5335 59.8281 -98.9082 46.6598 -19.5285 45.9842 81.8409 TIMING: 4550200 CPU: 13221.3, 0.00292669/step Wall: 13221.3, 0.00292669/step, 0.365673 hours remaining, 207.242188 MB of memory in use. ENERGY: 4550200 745.5866 2101.9307 1952.0553 131.6376 -205982.4617 17633.2552 0.0000 0.0000 34157.6800 -149260.3163 298.3075 -183417.9963 -149165.1204 299.1101 -61.0340 -32.5324 557729.1221 1.8343 1.7695 PRESSURE: 4550400 10.8286 69.4103 82.7927 69.4107 168.007 138.135 82.7919 138.134 185.025 GPRESSURE: 4550400 40.5054 137.926 91.4559 9.9998 164.205 163.126 -0.281296 81.2757 234.351 PRESSAVG: 4550400 -31.7506 60.2303 -16.3569 60.2303 -40.8937 48.0815 -16.3569 48.0815 76.1568 GPRESSAVG: 4550400 -31.8198 61.3351 -16.6295 59.0786 -41.8357 50.0055 -17.033 49.3341 76.9939 TIMING: 4550400 CPU: 13221.9, 0.00291752/step Wall: 13221.9, 0.00291752/step, 0.364366 hours remaining, 207.242188 MB of memory in use. ENERGY: 4550400 765.9824 2124.7129 1970.3290 114.4694 -206607.6921 17961.8953 0.0000 0.0000 34255.9389 -149414.3642 299.1656 -183670.3032 -149310.9654 299.4587 121.2868 146.3537 555934.1240 1.1708 1.1128 PRESSURE: 4550600 -53.5885 -21.2427 -50.0674 -21.2432 61.1994 -61.0626 -50.0671 -61.0612 107.019 GPRESSURE: 4550600 -4.03641 -53.3992 -62.1696 -11.5761 81.0919 -70.8344 42.4658 -57.1301 123.785 PRESSAVG: 4550600 -52.1747 42.702 19.0729 42.702 2.49604 39.4155 19.0729 39.4156 101.291 GPRESSAVG: 4550600 -53.4814 39.4084 19.8127 46.4375 3.87416 39.8232 19.516 37.0559 101.271 TIMING: 4550600 CPU: 13222.5, 0.00291851/step Wall: 13222.5, 0.00291851/step, 0.364327 hours remaining, 207.242188 MB of memory in use. ENERGY: 4550600 749.0343 2108.9780 1991.0894 118.5755 -206547.3539 17828.7361 0.0000 0.0000 34220.5160 -149530.4248 298.8563 -183750.9407 -149431.9340 298.3399 38.2099 66.9468 557643.7852 17.2042 17.2211 PRESSURE: 4550800 -288.122 95.405 -94.2222 95.4048 -64.4292 -55.6303 -94.2214 -55.631 106.56 GPRESSURE: 4550800 -252.294 34.5343 -55.6316 37.5502 -10.1844 11.5451 -111.922 -86.7996 100.91 PRESSAVG: 4550800 -38.2415 13.4758 1.25731 13.4759 -4.31274 -7.4769 1.25732 -7.47696 50.1282 GPRESSAVG: 4550800 -37.2673 14.5805 1.06943 13.8617 -4.78112 -9.27871 2.12372 -5.55503 50.0257 TIMING: 4550800 CPU: 13223.1, 0.00290563/step Wall: 13223.1, 0.00290563/step, 0.362558 hours remaining, 207.242188 MB of memory in use. ENERGY: 4550800 785.9111 2055.8771 1969.8839 129.4356 -206667.7177 17886.1280 0.0000 0.0000 34182.0814 -149658.4005 298.5206 -183840.4819 -149559.2997 298.0691 -81.9969 -53.8559 557532.1349 2.5247 2.6591 PRESSURE: 4551000 9.52231 4.88198 53.1001 4.88118 -30.4852 -30.9552 53.0997 -30.9556 60.327 GPRESSURE: 4551000 40.2692 -4.93712 61.88 -56.437 15.0864 -23.6527 96.4073 -19.782 70.848 PRESSAVG: 4551000 -16.5785 36.247 27.6765 36.247 16.1003 -32.4607 27.6764 -32.4607 55.3799 GPRESSAVG: 4551000 -17.6675 37.5678 27.5996 33.8691 16.4202 -30.9711 25.7239 -32.6428 56.1848 TIMING: 4551000 CPU: 13223.7, 0.00291529/step Wall: 13223.7, 0.00291529/step, 0.363602 hours remaining, 207.242188 MB of memory in use. ENERGY: 4551000 771.9104 2090.5452 1935.7319 124.8213 -206002.1564 17680.1216 0.0000 0.0000 33922.7235 -149476.3026 296.2556 -183399.0261 -149383.7358 297.8711 13.1214 42.0679 557245.2195 18.3006 18.3125 PRESSURE: 4551200 -244.182 -16.0419 28.5031 -16.0433 -82.4873 -73.0418 28.5023 -73.0422 -339.832 GPRESSURE: 4551200 -207.193 -9.41318 142.662 16.1242 -130.468 -185.951 29.209 5.54845 -232.794 PRESSAVG: 4551200 -65.8237 38.8339 -41.2696 38.834 56.7183 -4.52514 -41.2697 -4.52515 -6.98316 GPRESSAVG: 4551200 -64.4305 37.3509 -40.3144 40.7433 56.0081 -3.74552 -40.9703 -5.36904 -8.19408 TIMING: 4551200 CPU: 13224.3, 0.00289522/step Wall: 13224.3, 0.00289522/step, 0.360937 hours remaining, 207.242188 MB of memory in use. ENERGY: 4551200 747.2956 2097.7848 1969.9112 105.4468 -205968.2548 17424.7152 0.0000 0.0000 34150.4352 -149472.6659 298.2442 -183623.1011 -149367.3188 298.5226 -222.1673 -190.1517 556866.1658 -5.3629 -5.5388 PRESSURE: 4551400 -62.4762 -123.976 -7.08427 -123.976 65.1107 152.536 -7.08334 152.536 -193.723 GPRESSURE: 4551400 6.84005 -161.912 -76.1515 -120.543 47.19 220.556 11.4704 133.17 -143.64 PRESSAVG: 4551400 -55.1009 6.20119 -0.2575 6.20109 41.2334 31.1326 -0.257517 31.1327 55.6718 GPRESSAVG: 4551400 -55.0397 5.88569 -1.23281 5.89116 41.3074 31.5075 0.574153 30.5422 55.9728 TIMING: 4551400 CPU: 13224.8, 0.00292118/step Wall: 13224.8, 0.00292118/step, 0.364011 hours remaining, 207.242188 MB of memory in use. ENERGY: 4551400 772.3697 2135.3757 1951.1772 122.5703 -206335.8384 17894.1463 0.0000 0.0000 34010.2338 -149449.9655 297.0198 -183460.1993 -149356.0269 298.2034 -63.6963 -29.8699 555259.6342 13.9348 14.0802 PRESSURE: 4551600 192.623 29.8347 136.971 29.8342 -8.02796 -90.0944 136.972 -90.0943 100.237 GPRESSURE: 4551600 209.447 -38.7472 188.176 16.4236 46.9603 -191.011 100.086 -20.9435 111.352 PRESSAVG: 4551600 28.7856 -2.46041 21.6236 -2.46045 -17.2629 57.2308 21.6235 57.2308 21.6575 GPRESSAVG: 4551600 28.7432 1.11275 20.8466 -2.99395 -16.5741 55.1764 21.2234 60.7886 20.6855 TIMING: 4551600 CPU: 13225.4, 0.00288829/step Wall: 13225.4, 0.00288829/step, 0.359753 hours remaining, 207.242188 MB of memory in use. ENERGY: 4551600 746.0789 2125.3638 1940.5843 109.3687 -206385.4339 17861.8550 0.0000 0.0000 34135.6740 -149466.5093 298.1153 -183602.1833 -149371.1259 298.3397 94.9437 122.5864 556263.9872 11.0600 10.9515 PRESSURE: 4551800 161.246 157.053 68.1341 157.053 44.208 27.4856 68.1342 27.4864 -136.459 GPRESSURE: 4551800 136.846 157.309 116.342 119.225 91.4482 84.5901 51.3975 -49.4751 -66.2726 PRESSAVG: 4551800 62.569 67.9518 -53.8134 67.952 -47.3454 -51.8467 -53.8134 -51.8468 -79.3431 GPRESSAVG: 4551800 61.6445 64.4924 -52.3214 69.3523 -46.8932 -52.6222 -52.9623 -54.0812 -78.51 TIMING: 4551800 CPU: 13226, 0.00290229/step Wall: 13226, 0.00290229/step, 0.361335 hours remaining, 207.242188 MB of memory in use. ENERGY: 4551800 708.1543 2067.0761 1961.4000 118.0873 -206425.6965 17811.4050 0.0000 0.0000 34359.4433 -149400.1304 300.0696 -183759.5738 -149302.7625 298.2839 22.9984 54.0070 557933.7586 -21.3732 -21.2529 PRESSURE: 4552000 -245.308 -79.0774 43.1187 -79.0771 121.423 -61.7977 43.1201 -61.7977 -45.8315 GPRESSURE: 4552000 -201.663 -97.0542 -36.2659 -94.3462 142.076 -74.6135 7.57978 -109.053 -10.1424 PRESSAVG: 4552000 142.347 61.5983 -57.0385 61.5983 -77.9439 -11.74 -57.0385 -11.74 -35.9989 GPRESSAVG: 4552000 142.108 62.8584 -58.4986 59.6109 -77.5161 -10.1302 -58.4828 -12.4568 -35.9778 TIMING: 4552000 CPU: 13226.6, 0.00290097/step Wall: 13226.6, 0.00290097/step, 0.36101 hours remaining, 207.242188 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: 4552000 753.1013 2083.6255 1965.5518 106.3169 -206269.2181 17839.9301 0.0000 0.0000 34237.3671 -149283.3255 299.0034 -183520.6925 -149186.3537 299.3281 -56.5722 -23.2434 556869.3454 9.4682 9.5379 PRESSURE: 4552200 -290.272 -51.5201 -129.685 -51.5191 -160.138 -206.971 -129.685 -206.972 -178.586 GPRESSURE: 4552200 -277.113 -104.096 -114.396 31.3578 -141.203 -128.592 -87.3116 -184.448 -122.085 PRESSAVG: 4552200 0.275107 -17.9033 4.94313 -17.9034 24.2753 3.52822 4.94312 3.52822 13.5655 GPRESSAVG: 4552200 0.928459 -16.7281 6.65465 -17.7199 23.099 4.56789 8.18395 4.24729 13.5606 TIMING: 4552200 CPU: 13227.2, 0.00288997/step Wall: 13227.2, 0.00288997/step, 0.35948 hours remaining, 207.242188 MB of memory in use. ENERGY: 4552200 781.2601 2117.1747 1956.1343 105.8851 -206084.8429 17470.2249 0.0000 0.0000 34583.0895 -149071.0743 302.0227 -183654.1638 -148966.0072 299.6889 -209.6654 -180.1336 558168.8884 12.7053 12.5294 LDB: ============= START OF LOAD BALANCING ============== 13230.6 LDB: ============== END OF LOAD BALANCING =============== 13230.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13230.6 LDB: ============= START OF LOAD BALANCING ============== 13230.9 LDB: Largest compute 4848 load 0.029965 is 25.4% of average load 0.117849 LDB: Average compute 0.001742 is 1.5% of average load 0.117849 LDB: TIME 13230.9 LOAD: AVG 0.117849 MAX 0.177177 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 13230.9 LOAD: AVG 0.117849 MAX 0.177177 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: TIME 13230.9 LOAD: AVG 0.117849 MAX 0.177177 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: ============== END OF LOAD BALANCING =============== 13230.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13230.9 PRESSURE: 4552400 -64.8555 -160.2 -76.9781 -160.201 279.555 -20.1648 -76.978 -20.1662 114.159 GPRESSURE: 4552400 -24.9222 -115.432 -107.365 -191.04 270.569 -53.8487 -69.0587 7.06276 180.413 PRESSAVG: 4552400 -8.53059 22.0609 -30.4844 22.0609 54.0643 -16.1658 -30.4842 -16.1658 7.49992 GPRESSAVG: 4552400 -9.47084 21.1364 -31.2657 22.7545 54.4857 -16.1587 -31.5805 -17.2206 8.23613 TIMING: 4552400 CPU: 13227.7, 0.0029374/step Wall: 13227.7, 0.0029374/step, 0.365216 hours remaining, 207.671875 MB of memory in use. ENERGY: 4552400 730.6498 2109.2039 1964.8509 104.0602 -206474.9050 17903.0730 0.0000 0.0000 34417.7270 -149245.3403 300.5786 -183663.0673 -149148.1478 299.6918 109.6196 142.0198 556208.3806 17.6779 17.7503 PRESSURE: 4552600 -96.5295 -14.8482 -19.3499 -14.8478 -184.604 108.531 -19.349 108.53 -105.899 GPRESSURE: 4552600 -9.71802 29.9511 -89.8121 5.1633 -208.871 131.04 -73.7872 122.717 -75.5433 PRESSAVG: 4552600 3.64536 -21.2226 -18.8813 -21.2226 -8.80813 -28.8438 -18.8813 -28.8439 34.0922 GPRESSAVG: 4552600 4.60117 -22.0234 -18.0682 -22.6132 -9.47773 -31.1004 -21.7113 -27.2192 33.4029 TIMING: 4552600 CPU: 13228.3, 0.00286764/step Wall: 13228.3, 0.00286764/step, 0.356384 hours remaining, 207.875000 MB of memory in use. ENERGY: 4552600 765.7131 2152.7166 1950.0510 110.7485 -206204.0249 17624.6095 0.0000 0.0000 34328.3300 -149271.8563 299.7978 -183600.1862 -149184.0775 300.4682 -129.0108 -98.0440 556642.6274 9.6431 9.5088 PRESSURE: 4552800 -29.5419 54.8352 44.433 54.8355 -139.374 1.91082 44.4335 1.91076 28.5696 GPRESSURE: 4552800 -16.8912 -105.823 140.732 90.9605 -114.925 30.5745 70.0709 1.50797 92.5767 PRESSAVG: 4552800 36.4481 -14.3385 38.4128 -14.3386 -53.1531 21.9223 38.4129 21.9224 25.1259 GPRESSAVG: 4552800 36.4886 -13.0977 40.7134 -12.7873 -53.2977 22.0817 39.4533 20.1928 24.5984 TIMING: 4552800 CPU: 13228.9, 0.00288607/step Wall: 13228.9, 0.00288607/step, 0.358514 hours remaining, 207.875000 MB of memory in use. ENERGY: 4552800 742.3483 2103.0962 1940.3851 114.1485 -206424.8053 18031.4964 0.0000 0.0000 34054.2910 -149439.0397 297.4046 -183493.3307 -149341.5293 298.9403 -46.7820 -13.0798 557575.0239 2.8070 2.5964 PRESSURE: 4553000 -235.469 180.428 7.97481 180.429 -371.796 19.5453 7.97537 19.5442 -124.307 GPRESSURE: 4553000 -179.479 243.049 -78.7408 214.763 -385.696 -2.08474 39.4254 84.0529 -70.0055 PRESSAVG: 4553000 35.0632 26.1516 38.6296 26.1517 -71.3582 5.5534 38.6296 5.55342 38.6588 GPRESSAVG: 4553000 35.8533 24.3605 35.6504 25.8548 -71.2373 7.8263 38.6971 5.06248 37.7605 TIMING: 4553000 CPU: 13229.5, 0.00288349/step Wall: 13229.5, 0.00288349/step, 0.358034 hours remaining, 207.875000 MB of memory in use. ENERGY: 4553000 775.1514 2063.5384 1948.2527 115.0648 -206452.5576 17709.8094 0.0000 0.0000 34184.4898 -149656.2511 298.5417 -183840.7409 -149557.8786 298.3363 -243.8573 -211.7269 558249.4672 0.7879 0.7922 PRESSURE: 4553200 -67.5522 42.0647 141.573 42.0643 -65.4993 172.352 141.573 172.352 163.379 GPRESSURE: 4553200 -41.5988 7.5925 162.955 65.7332 7.38322 82.2085 99.2103 171.316 159.626 PRESSAVG: 4553200 -5.486 1.82253 39.2646 1.82255 4.245 -6.3568 39.2646 -6.35676 -3.06023 GPRESSAVG: 4553200 -5.32461 4.54452 40.7666 2.92879 4.41552 -7.77017 39.5819 -4.00648 -2.90008 TIMING: 4553200 CPU: 13230, 0.00290573/step Wall: 13230, 0.00290573/step, 0.360633 hours remaining, 207.875000 MB of memory in use. ENERGY: 4553200 756.3718 2117.3663 1931.1083 130.9316 -206671.3234 17979.7680 0.0000 0.0000 34182.7033 -149573.0741 298.5260 -183755.7773 -149477.0888 298.0700 10.1092 41.8036 557996.3443 -1.4337 -1.2697 PRESSURE: 4553400 -310.066 -33.3017 103.554 -33.3027 -58.6303 18.1741 103.555 18.175 59.3288 GPRESSURE: 4553400 -289.927 -1.92012 137.93 -52.8395 -80.144 59.3543 102.691 10.6223 148.826 PRESSAVG: 4553400 -69.4345 -44.0393 88.7137 -44.0393 40.8071 1.55298 88.7137 1.55289 40.0066 GPRESSAVG: 4553400 -69.4997 -46.6366 88.2513 -44.4502 39.8377 1.21621 89.629 0.530126 40.6467 TIMING: 4553400 CPU: 13230.6, 0.00289276/step Wall: 13230.6, 0.00289277/step, 0.358864 hours remaining, 207.875000 MB of memory in use. ENERGY: 4553400 752.4756 2120.4112 1937.5466 103.6064 -206394.4948 17837.9009 0.0000 0.0000 34004.6391 -149637.9151 296.9710 -183642.5542 -149540.7285 297.9621 -103.1225 -73.7485 556978.6042 3.7930 3.6615 PRESSURE: 4553600 -55.1022 -15.6199 -105.393 -15.6192 42.33 -52.1924 -105.393 -52.1928 41.2732 GPRESSURE: 4553600 -33.0345 11.0798 7.29196 -47.3205 68.0216 -36.9966 -83.1349 56.4987 90.0334 PRESSAVG: 4553600 -37.3118 -1.30034 20.9903 -1.30035 -3.21278 -4.2761 20.9903 -4.27612 25.0815 GPRESSAVG: 4553600 -37.6365 1.78299 19.1134 -1.84315 -2.99159 -3.3822 20.772 -2.49225 24.7541 TIMING: 4553600 CPU: 13231.2, 0.00290034/step Wall: 13231.2, 0.00290034/step, 0.359643 hours remaining, 207.875000 MB of memory in use. ENERGY: 4553600 733.1738 2138.0617 1966.8359 115.3732 -206577.4200 17791.7341 0.0000 0.0000 34382.2362 -149450.0051 300.2686 -183832.2412 -149350.0721 298.5074 9.5003 41.6735 555950.5561 -5.1477 -5.2913 PRESSURE: 4553800 -220.29 -133.728 143.595 -133.729 147.013 -167.644 143.593 -167.644 202.704 GPRESSURE: 4553800 -170.567 -127.299 116.839 -118.526 150.818 -177.362 206.12 -142.642 238.355 PRESSAVG: 4553800 25.8047 -0.493978 14.3734 -0.49402 -10.3816 14.6951 14.3735 14.6952 -4.99386 GPRESSAVG: 4553800 25.1677 -2.13743 15.7114 1.20269 -9.31037 12.827 13.7222 13.6818 -5.27845 TIMING: 4553800 CPU: 13231.8, 0.00291067/step Wall: 13231.8, 0.00291067/step, 0.360761 hours remaining, 207.875000 MB of memory in use. ENERGY: 4553800 739.7918 2169.1682 1953.2797 119.6613 -206735.9935 18015.0612 0.0000 0.0000 34393.0251 -149346.0062 300.3628 -183739.0313 -149251.1792 299.3456 43.1424 72.8686 557608.4984 3.4764 3.5263 PRESSURE: 4554000 182.761 -110.827 -104.353 -110.827 -77.9801 -93.4601 -104.353 -93.4579 -220.229 GPRESSURE: 4554000 229.638 -72.6993 31.9804 -148.225 -12.149 -48.8288 -132.542 -75.3836 -221.254 PRESSAVG: 4554000 59.5817 -47.6913 13.7821 -47.6914 -15.006 2.51133 13.7821 2.5113 -74.2329 GPRESSAVG: 4554000 59.9501 -49.6687 14.7847 -48.6223 -15.0717 3.5303 12.4532 1.69922 -74.2315 TIMING: 4554000 CPU: 13232.4, 0.00290963/step Wall: 13232.4, 0.00290963/step, 0.36047 hours remaining, 207.875000 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: 4554000 706.8390 2125.6384 1943.7504 120.3582 -206251.6182 17722.8009 0.0000 0.0000 34214.7146 -149417.5167 298.8056 -183632.2313 -149324.2863 299.0352 -38.4826 -1.2551 556561.2995 -9.8857 -9.7844 PRESSURE: 4554200 -377.525 96.2779 -49.9386 96.2783 -115.643 179.046 -49.9397 179.046 -51.3868 GPRESSURE: 4554200 -337.769 82.2298 -47.769 62.322 -113.242 173.01 -78.2397 178.097 4.56889 PRESSAVG: 4554200 43.4369 -4.62321 -29.1997 -4.62318 -2.80748 24.3873 -29.1996 24.3874 -18.8071 GPRESSAVG: 4554200 43.2462 -2.58479 -29.1232 -4.27105 -4.15291 21.8609 -29.2844 23.8524 -17.6236 TIMING: 4554200 CPU: 13233, 0.00290722/step Wall: 13233, 0.00290722/step, 0.360011 hours remaining, 207.875000 MB of memory in use. ENERGY: 4554200 749.1892 2075.9240 1965.0995 110.0769 -206172.8007 17660.1124 0.0000 0.0000 34178.3550 -149434.0438 298.4881 -183612.3988 -149336.7977 298.5342 -181.5185 -148.8140 557655.5051 7.2741 7.1566 PRESSURE: 4554400 -59.3895 -4.14179 -105.342 -4.14117 245.331 192.703 -105.343 192.703 -24.6113 GPRESSURE: 4554400 -22.3368 4.57298 -204.841 31.7915 237.014 221.196 -46.2772 281.634 39.9274 PRESSAVG: 4554400 -28.8127 17.0866 -6.94945 17.0865 93.673 34.4357 -6.94953 34.4357 -63.7827 GPRESSAVG: 4554400 -28.4393 15.6275 -7.89225 16.7715 94.3932 34.9583 -5.46255 35.9851 -64.3827 TIMING: 4554400 CPU: 13233.5, 0.00289862/step Wall: 13233.5, 0.00289862/step, 0.358785 hours remaining, 207.875000 MB of memory in use. ENERGY: 4554400 738.1090 2108.0681 1949.5755 110.2836 -206562.4877 18069.6117 0.0000 0.0000 34110.5098 -149476.3301 297.8956 -183586.8399 -149377.4343 298.6161 53.7767 84.8681 556923.2616 0.3592 0.5237 PRESSURE: 4554600 -12.5736 -66.7725 -35.6262 -66.7714 -138.326 157.435 -35.6259 157.435 -355.194 GPRESSURE: 4554600 57.3005 -84.4552 40.9143 -40.4733 -152.536 167.547 61.5444 67.5553 -295.558 PRESSAVG: 4554600 1.58782 -39.6222 -30.9744 -39.6221 -24.1466 12.3943 -30.9744 12.3943 48.1326 GPRESSAVG: 4554600 1.80183 -40.3201 -28.8221 -37.4718 -24.6324 13.3549 -32.3405 12.9259 48.3498 TIMING: 4554600 CPU: 13234.1, 0.00290225/step Wall: 13234.1, 0.00290225/step, 0.359073 hours remaining, 207.875000 MB of memory in use. ENERGY: 4554600 726.2942 2078.9975 1964.2597 113.7096 -206199.3674 17611.1326 0.0000 0.0000 34239.2915 -149465.6822 299.0202 -183704.9736 -149370.8030 298.4303 -168.6979 -130.2644 556928.4489 8.5246 8.5064 PRESSURE: 4554800 -95.6539 43.2498 47.7261 43.25 172.232 -125.773 47.7274 -125.771 -238.884 GPRESSURE: 4554800 -39.6592 17.1519 20.2624 116.099 166.129 -36.3503 34.5647 -80.0112 -191.775 PRESSAVG: 4554800 50.8971 34.2748 28.6415 34.2748 12.7248 15.8037 28.6415 15.8036 -8.23209 GPRESSAVG: 4554800 50.2579 34.6836 28.8484 34.7839 12.0634 16.1357 30.5461 13.2275 -7.68815 TIMING: 4554800 CPU: 13234.7, 0.00293399/step Wall: 13234.7, 0.00293399/step, 0.362837 hours remaining, 207.945312 MB of memory in use. ENERGY: 4554800 727.0576 2089.8651 1949.3562 115.2964 -206422.3486 17838.6649 0.0000 0.0000 34344.5764 -149357.5321 299.9397 -183702.1085 -149259.7029 298.4701 -54.1020 -21.7684 557668.0786 18.4633 18.2111 PRESSURE: 4555000 -51.1913 5.19771 -70.7303 5.19844 46.6718 17.7657 -70.731 17.7648 -218.281 GPRESSURE: 4555000 -70.2921 26.8246 -118.064 -6.49116 98.1847 103.95 -118.405 -1.25225 -160.626 PRESSAVG: 4555000 -8.08828 13.0441 -39.3933 13.0442 54.5555 28.2292 -39.3933 28.229 -15.6866 GPRESSAVG: 4555000 -8.10922 14.8914 -39.8674 11.1266 54.4228 27.794 -40.1736 30.3388 -15.7759 TIMING: 4555000 CPU: 13235.3, 0.00290044/step Wall: 13235.3, 0.00290044/step, 0.358526 hours remaining, 207.945312 MB of memory in use. ENERGY: 4555000 739.3624 2117.0872 1976.5920 125.1674 -206189.8776 17707.8038 0.0000 0.0000 34322.2555 -149201.6094 299.7448 -183523.8648 -149107.9588 298.6737 -74.2670 -44.2446 557011.6766 10.2602 10.1792 PRESSURE: 4555200 110.506 -46.3427 118.13 -46.3424 -110.497 -9.07785 118.13 -9.07734 -467.19 GPRESSURE: 4555200 91.9207 -13.3997 83.5492 34.4251 -119.184 9.10463 124.438 -165.189 -343.573 PRESSAVG: 4555200 121.713 16.1756 2.02815 16.1755 -22.9727 13.9577 2.02811 13.9577 -106.609 GPRESSAVG: 4555200 120.848 16.6917 0.942532 16.8476 -22.0043 14.4369 4.11109 12.3239 -107.342 TIMING: 4555200 CPU: 13235.9, 0.00289455/step Wall: 13235.9, 0.00289455/step, 0.357638 hours remaining, 207.945312 MB of memory in use. ENERGY: 4555200 773.3658 2065.9309 1962.4379 116.6303 -206423.8582 17821.4486 0.0000 0.0000 34334.5804 -149349.4642 299.8524 -183684.0446 -149254.6766 298.5905 -155.7270 -123.6122 556261.5333 -2.6228 -2.8331 PRESSURE: 4555400 56.3168 -62.5666 90.6122 -62.5667 -204.878 97.1523 90.6118 97.1522 -192.573 GPRESSURE: 4555400 74.8132 -121.927 -8.90015 62.8438 -183.888 92.0351 97.2245 113.434 -151.794 PRESSAVG: 4555400 73.314 58.687 -7.4416 58.6869 -10.0184 24.231 -7.4416 24.231 -74.5818 GPRESSAVG: 4555400 73.257 58.8229 -6.81651 57.457 -10.2874 24.7626 -9.94439 25.1595 -74.1455 TIMING: 4555400 CPU: 13236.4, 0.00289046/step Wall: 13236.4, 0.00289046/step, 0.356972 hours remaining, 207.945312 MB of memory in use. ENERGY: 4555400 765.1870 2039.2325 1962.8155 131.1406 -206388.1704 17694.1156 0.0000 0.0000 34393.6956 -149401.9836 300.3687 -183795.6791 -149300.8091 298.6651 -113.7113 -86.9562 557260.2782 -3.7621 -3.7253 PRESSURE: 4555600 114.867 134.949 57.0352 134.95 60.5684 25.6885 57.0359 25.6881 -138.635 GPRESSURE: 4555600 171.391 212.154 2.5823 77.1765 28.8947 -13.4069 42.906 -21.1269 -70.1139 PRESSAVG: 4555600 106.177 61.6628 61.6086 61.6629 14.6798 -7.3306 61.6085 -7.33055 -100.12 GPRESSAVG: 4555600 107.545 60.5947 61.6859 62.3273 13.4602 -10.5386 62.034 -7.20034 -100.051 TIMING: 4555600 CPU: 13237, 0.00291594/step Wall: 13237, 0.00291594/step, 0.359957 hours remaining, 207.945312 MB of memory in use. ENERGY: 4555600 723.0031 2140.4062 1981.8530 120.6268 -206565.2330 17912.8594 0.0000 0.0000 34263.0076 -149423.4769 299.2274 -183686.4845 -149327.5318 298.8874 12.2671 43.3906 556413.4856 6.9121 6.9845 PRESSURE: 4555800 -8.40001 -74.7674 149.164 -74.767 101.656 -55.9526 149.163 -55.9534 -195.448 GPRESSURE: 4555800 2.0532 -88.7196 38.5579 -3.51583 167.814 5.86654 32.7357 -85.0265 -166.798 PRESSAVG: 4555800 71.9417 17.796 -18.8217 17.796 -26.2091 -38.4406 -18.8216 -38.4406 -67.9554 GPRESSAVG: 4555800 71.8903 17.1868 -19.9892 16.4701 -25.6132 -37.0653 -19.2952 -37.4534 -68.5208 TIMING: 4555800 CPU: 13237.6, 0.00291202/step Wall: 13237.6, 0.00291202/step, 0.359311 hours remaining, 207.945312 MB of memory in use. ENERGY: 4555800 770.7438 2000.2149 1948.7585 111.7303 -206600.4099 17949.9403 0.0000 0.0000 34225.6569 -149593.3652 298.9012 -183819.0221 -149500.0471 298.4675 -34.0637 1.0230 558348.5202 -7.4076 -7.4146 PRESSURE: 4556000 -62.492 -1.77094 -45.3931 -1.77195 97.734 -4.81416 -45.3944 -4.81515 -236.472 GPRESSURE: 4556000 -44.1313 -71.9094 -124.528 -40.0706 143.146 21.325 -7.84051 -34.2711 -197.717 PRESSAVG: 4556000 23.0494 43.9498 -27.3731 43.9498 58.6054 33.423 -27.3731 33.4231 -40.813 GPRESSAVG: 4556000 23.0253 45.1571 -25.5997 44.1744 58.1319 32.5482 -28.2574 31.407 -40.2664 TIMING: 4556000 CPU: 13238.2, 0.00289605/step Wall: 13238.2, 0.00289605/step, 0.357179 hours remaining, 207.945312 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: 4556000 783.1108 2067.3762 1962.5013 127.3632 -206345.4826 17935.4074 0.0000 0.0000 34073.2434 -149396.4804 297.5701 -183469.7238 -149301.9576 297.9386 -67.0766 -32.9010 557716.8267 13.6139 13.6303 PRESSURE: 4556200 -183.158 -61.8529 113.342 -61.853 -49.7501 24.2562 113.341 24.2543 -189.399 GPRESSURE: 4556200 -92.5557 -17.0928 80.5198 -62.9582 -67.936 28.8322 111.812 9.37653 -163.413 PRESSAVG: 4556200 -24.7829 -4.96571 -85.3681 -4.96578 36.3118 12.6229 -85.3682 12.6229 -2.57685 GPRESSAVG: 4556200 -25.6256 -6.64479 -87.179 -2.90017 36.5697 15.5371 -84.5312 11.7876 -2.19867 TIMING: 4556200 CPU: 13238.8, 0.00289686/step Wall: 13238.8, 0.00289686/step, 0.357119 hours remaining, 208.148438 MB of memory in use. ENERGY: 4556200 729.4642 2068.6309 1955.0282 118.1916 -206438.9641 17830.0507 0.0000 0.0000 34166.8260 -149570.7725 298.3874 -183737.5985 -149475.8226 298.6397 -140.7691 -107.9681 558911.9247 2.9840 2.9151 LDB: ============= START OF LOAD BALANCING ============== 13242.2 LDB: ============== END OF LOAD BALANCING =============== 13242.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13242.2 LDB: ============= START OF LOAD BALANCING ============== 13242.5 LDB: Largest compute 4848 load 0.031013 is 26.3% of average load 0.117813 LDB: Average compute 0.001741 is 1.5% of average load 0.117813 LDB: TIME 13242.5 LOAD: AVG 0.117813 MAX 0.177683 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.684 MB LDB: TIME 13242.5 LOAD: AVG 0.117813 MAX 0.177683 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: TIME 13242.5 LOAD: AVG 0.117813 MAX 0.177683 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.887 MB LDB: ============== END OF LOAD BALANCING =============== 13242.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13242.5 PRESSURE: 4556400 -128.339 30.6369 -86.8644 30.6376 -238.16 -101.54 -86.8652 -101.54 219.512 GPRESSURE: 4556400 -160.319 82.8625 -56.4719 99.0925 -175.735 -58.014 -61.1053 -175.347 275.733 PRESSAVG: 4556400 32.2991 30.4087 36.3416 30.4086 -29.2543 37.9959 36.3417 37.9958 -9.86187 GPRESSAVG: 4556400 31.8664 31.6403 36.1655 29.4772 -28.4356 36.8642 39.4265 37.9845 -9.5466 TIMING: 4556400 CPU: 13239.4, 0.00296907/step Wall: 13239.4, 0.00296907/step, 0.365856 hours remaining, 208.183594 MB of memory in use. ENERGY: 4556400 745.2651 2040.0277 1932.2693 118.4059 -205953.3959 17622.2311 0.0000 0.0000 34110.2101 -149384.9868 297.8929 -183495.1968 -149285.1565 297.8840 -48.9955 -20.1071 558028.5272 -2.2724 -2.0386 PRESSURE: 4556600 -133.496 -42.6232 24.9697 -42.6236 -227.04 54.4686 24.9702 54.4673 -73.5059 GPRESSURE: 4556600 -62.6578 6.33468 18.6736 -82.529 -216.662 43.3364 -15.8468 32.0281 -58.105 PRESSAVG: 4556600 48.3177 -0.934049 13.6228 -0.934008 -57.6598 54.5027 13.6228 54.5028 -1.16047 GPRESSAVG: 4556600 49.0582 -2.97381 15.9528 0.123184 -58.5836 54.17 8.51036 55.4977 -0.925264 TIMING: 4556600 CPU: 13239.9, 0.00290747/step Wall: 13239.9, 0.00290747/step, 0.358103 hours remaining, 208.343750 MB of memory in use. ENERGY: 4556600 757.9539 2063.6788 1948.4226 117.0802 -205875.5442 17668.3831 0.0000 0.0000 33769.0144 -149551.0112 294.9132 -183320.0256 -149444.5730 298.0780 -144.6807 -112.4748 558789.3009 -3.5009 -3.4835 PRESSURE: 4556800 18.9434 -29.6078 9.64756 -29.6085 -197.067 211.931 9.64813 211.931 125.757 GPRESSURE: 4556800 51.8013 -23.1583 16.5083 -7.18715 -101.854 187.024 120.914 248.615 97.8268 PRESSAVG: 4556800 50.593 26.2119 8.53001 26.2118 -23.1812 54.2773 8.52997 54.2773 -24.1195 GPRESSAVG: 4556800 51.3997 28.5754 9.28003 24.8545 -22.0606 52.4622 12.3175 53.9137 -25.9985 TIMING: 4556800 CPU: 13240.5, 0.00291407/step Wall: 13240.5, 0.00291407/step, 0.358755 hours remaining, 208.343750 MB of memory in use. ENERGY: 4556800 740.1735 2076.2633 1969.0035 113.6195 -206474.3013 17854.9712 0.0000 0.0000 34258.8885 -149461.3819 299.1914 -183720.2703 -149371.6213 298.3950 -17.4555 15.9247 557464.9806 1.0975 1.1135 PRESSURE: 4557000 -178.265 -67.3008 150.645 -67.3018 5.89267 -60.1076 150.645 -60.1094 104.861 GPRESSURE: 4557000 -126.316 -3.57737 88.6064 -79.0729 12.7237 -48.4836 149.964 38.0766 152.339 PRESSAVG: 4557000 -22.4453 4.28503 19.5939 4.285 -15.9026 10.2689 19.5939 10.2688 27.2859 GPRESSAVG: 4557000 -23.5175 2.92478 18.2585 5.34478 -16.8386 11.6765 17.9476 9.40753 29.1784 TIMING: 4557000 CPU: 13241.1, 0.00294047/step Wall: 13241.1, 0.00294047/step, 0.361842 hours remaining, 208.343750 MB of memory in use. ENERGY: 4557000 772.6645 2111.0343 1944.9062 111.7305 -206469.8243 17879.1964 0.0000 0.0000 34278.2217 -149372.0706 299.3602 -183650.2923 -149276.8631 298.7540 -22.5039 12.9157 558036.1743 -3.6874 -3.7259 PRESSURE: 4557200 -13.9634 147.718 -75.3879 147.718 242.429 -118.722 -75.3873 -118.721 105.488 GPRESSURE: 4557200 31.0956 209.718 -55.7033 146.571 229.116 -183.719 -85.0224 -86.2945 157.114 PRESSAVG: 4557200 8.78578 53.4696 47.0136 53.4696 -1.05091 -119.205 47.0136 -119.205 11.221 GPRESSAVG: 4557200 7.55473 53.645 48.115 54.7078 0.132222 -120.072 46.3116 -116.645 11.1403 TIMING: 4557200 CPU: 13241.7, 0.00292446/step Wall: 13241.7, 0.00292446/step, 0.359709 hours remaining, 208.343750 MB of memory in use. ENERGY: 4557200 756.9623 2048.8168 1968.6169 106.8604 -206919.1453 18278.5072 0.0000 0.0000 34143.8344 -149615.5472 298.1866 -183759.3817 -149525.7165 298.3237 111.3179 139.1086 557205.7767 6.3186 6.2758 PRESSURE: 4557400 64.7933 82.9048 171.823 82.9053 249.983 -143.284 171.823 -143.284 -58.77 GPRESSURE: 4557400 106.053 106.554 330.537 48.89 319.887 -151.001 97.2865 -104.649 -67.7856 PRESSAVG: 4557400 24.6871 -32.7452 -11.8056 -32.7451 16.6989 14.6134 -11.8056 14.6136 -42.3989 GPRESSAVG: 4557400 26.0575 -32.9528 -11.1446 -34.2336 15.4898 14.1876 -9.94969 15.0412 -42.7659 TIMING: 4557400 CPU: 13242.3, 0.00291499/step Wall: 13242.3, 0.00291499/step, 0.358382 hours remaining, 208.585938 MB of memory in use. ENERGY: 4557400 701.3379 2093.9618 1960.0887 108.0564 -206436.0078 17820.3702 0.0000 0.0000 34138.9272 -149613.2657 298.1437 -183752.1929 -149515.2906 298.3877 85.3353 119.3847 556433.3887 -0.3377 -0.4062 PRESSURE: 4557600 3.55905 84.0941 -21.8378 84.0934 -32.7903 -117.834 -21.8367 -117.836 -46.6729 GPRESSURE: 4557600 24.0609 97.2671 -175.373 133.587 78.5171 -63.0005 -74.0216 -173.091 -87.8058 PRESSAVG: 4557600 21.9315 22.7149 -41.4965 22.7149 26.4928 -16.107 -41.4965 -16.107 -49.358 GPRESSAVG: 4557600 21.7456 23.9589 -43.7475 21.0725 26.8061 -15.8959 -41.4645 -17.75 -49.4958 TIMING: 4557600 CPU: 13242.9, 0.00289243/step Wall: 13242.9, 0.00289243/step, 0.355448 hours remaining, 208.585938 MB of memory in use. ENERGY: 4557600 744.4358 2111.2337 1929.6563 107.6256 -206444.9826 17887.7926 0.0000 0.0000 34074.3004 -149589.9382 297.5793 -183664.2386 -149494.4337 298.0913 -25.3014 4.9241 556444.5035 -0.3112 -0.3147 PRESSURE: 4557800 104.588 64.4849 -14.6314 64.4865 44.6559 -104.512 -14.6305 -104.512 256.47 GPRESSURE: 4557800 160.988 69.4708 -39.4897 34.2354 40.6429 -56.0519 12.4441 -84.7014 299.674 PRESSAVG: 4557800 6.38084 66.4485 15.6323 66.4485 64.3197 -55.7774 15.6323 -55.7772 -32.2414 GPRESSAVG: 4557800 5.88548 65.6984 15.2908 68.0363 64.5872 -54.7192 15.1249 -54.8972 -31.717 TIMING: 4557800 CPU: 13243.4, 0.00289157/step Wall: 13243.4, 0.00289157/step, 0.355182 hours remaining, 208.585938 MB of memory in use. ENERGY: 4557800 758.8423 2057.0177 1958.5129 112.5888 -206958.2612 18348.0728 0.0000 0.0000 34409.1942 -149314.0325 300.5041 -183723.2266 -149220.5415 298.6850 135.2378 167.1017 558530.1765 12.8197 12.9186 PRESSURE: 4558000 5.20513 93.971 5.90309 93.9707 -113.917 47.2562 5.90259 47.2552 42.5693 GPRESSURE: 4558000 0.634489 118.29 -15.6318 105.93 -71.1703 -9.62885 -111.188 -24.6847 124.589 PRESSAVG: 4558000 39.4929 -15.1862 19.8048 -15.1861 42.3936 -15.6059 19.8049 -15.6061 -77.582 GPRESSAVG: 4558000 39.4554 -14.4993 21.9804 -14.1717 41.7921 -15.4625 17.4874 -17.0806 -77.3998 TIMING: 4558000 CPU: 13244, 0.00288461/step Wall: 13244, 0.00288461/step, 0.354166 hours remaining, 208.585938 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: 4558000 750.7451 2121.2686 1971.5015 111.7955 -206979.5032 18198.5422 0.0000 0.0000 34540.0678 -149285.5825 301.6470 -183825.6503 -149194.2153 298.6903 -22.0476 18.0177 557350.0304 1.4348 1.2826 PRESSURE: 4558200 171.177 37.5039 1.80444 37.5037 -21.1774 16.6924 1.80372 16.6921 -219.862 GPRESSURE: 4558200 221.701 99.222 -24.3142 -18.7318 -40.9435 2.68877 64.1923 10.4581 -142.393 PRESSAVG: 4558200 -9.4558 11.8703 22.7307 11.8703 -12.5855 40.5929 22.7306 40.5929 24.6532 GPRESSAVG: 4558200 -10.0329 12.5545 22.8059 12.0819 -13.2113 39.6243 23.3007 39.8946 26.0078 TIMING: 4558200 CPU: 13244.6, 0.0028931/step Wall: 13244.6, 0.0028931/step, 0.355047 hours remaining, 208.585938 MB of memory in use. ENERGY: 4558200 776.3935 2128.3528 1932.6841 106.9970 -206321.5502 17971.3705 0.0000 0.0000 34193.6115 -149212.1409 298.6213 -183405.7524 -149113.9613 299.4756 -23.2875 12.7882 557716.9276 0.8706 0.9212 PRESSURE: 4558400 -162.636 118.779 -205.231 118.779 -52.9517 -133.911 -205.231 -133.912 33.2879 GPRESSURE: 4558400 -181.645 91.8549 -217.755 97.2594 37.592 -151.74 -103.265 -168.459 58.2097 PRESSAVG: 4558400 24.2723 -42.3288 61.184 -42.3289 -26.7365 -9.70692 61.1839 -9.70696 -4.66479 GPRESSAVG: 4558400 25.0873 -43.4899 58.2257 -43.1531 -27.3848 -10.6923 65.5682 -8.53674 -5.22168 TIMING: 4558400 CPU: 13245.2, 0.00290347/step Wall: 13245.2, 0.00290347/step, 0.356158 hours remaining, 208.585938 MB of memory in use. ENERGY: 4558400 752.8050 2118.4246 1959.8904 113.7146 -206241.1519 17854.9222 0.0000 0.0000 34233.0433 -149208.3516 298.9657 -183441.3949 -149111.2011 299.6590 -60.7666 -28.6144 559208.4227 -2.3763 -2.5064 PRESSURE: 4558600 -50.6956 -69.311 -337.634 -69.3101 -100.685 -88.2777 -337.634 -88.2779 -203.163 GPRESSURE: 4558600 -49.4484 -12.9445 -332.541 -130.107 -58.3634 -51.0804 -283.002 -67.4438 -158.775 PRESSAVG: 4558600 -58.0317 -12.5258 -44.1268 -12.5257 55.3283 -17.233 -44.1269 -17.2332 11.2771 GPRESSAVG: 4558600 -57.8734 -10.8415 -42.4527 -14.015 56.7151 -17.1285 -44.7162 -14.9885 10.3406 TIMING: 4558600 CPU: 13245.7, 0.00288964/step Wall: 13245.7, 0.00288964/step, 0.354302 hours remaining, 208.585938 MB of memory in use. ENERGY: 4558600 742.4287 2107.0652 1982.9273 116.3162 -206233.4707 17845.6832 0.0000 0.0000 34083.0964 -149355.9537 297.6562 -183439.0501 -149262.7778 299.0577 -118.1811 -88.8623 559689.1197 2.8579 3.0607 PRESSURE: 4558800 68.1065 26.8556 -64.133 26.855 -106.686 -89.0943 -64.1331 -89.094 -19.2612 GPRESSURE: 4558800 138.389 -11.2637 -69.5721 1.69125 -114.304 -110.583 -50.8688 3.15984 4.53959 PRESSAVG: 4558800 -10.3102 -16.7633 8.62952 -16.7632 -28.4149 -4.82393 8.62948 -4.82393 27.6101 GPRESSAVG: 4558800 -10.9358 -16.8503 8.21391 -16.8729 -28.4248 -5.26341 6.95238 -5.6968 28.5459 TIMING: 4558800 CPU: 13246.3, 0.00291506/step Wall: 13246.3, 0.00291506/step, 0.357257 hours remaining, 208.585938 MB of memory in use. ENERGY: 4558800 754.1353 2079.8571 1949.0558 127.8971 -206079.1815 17743.8450 0.0000 0.0000 34177.2020 -149247.1892 298.4780 -183424.3913 -149146.7586 299.0200 -19.2803 9.5414 559330.8632 -3.7050 -3.6049 PRESSURE: 4559000 -315.259 -138.947 272.57 -138.947 -288.973 57.7181 272.57 57.7171 -76.508 GPRESSURE: 4559000 -303.365 -62.6265 230.918 -265.656 -242.6 126.971 222.704 35.7028 -30.6034 PRESSAVG: 4559000 -21.8757 30.232 12.3322 30.232 -21.5104 -76.2647 12.3321 -76.2648 12.8212 GPRESSAVG: 4559000 -22.0518 29.5036 10.1322 30.1077 -21.0071 -75.2092 13.0399 -75.8669 11.4467 TIMING: 4559000 CPU: 13246.9, 0.00291315/step Wall: 13246.9, 0.00291315/step, 0.356861 hours remaining, 208.585938 MB of memory in use. ENERGY: 4559000 785.3921 2056.4495 1971.9383 124.7454 -205999.5465 17542.3142 0.0000 0.0000 34449.4037 -149069.3035 300.8552 -183518.7071 -148973.4437 299.2624 -226.9133 -192.1896 558508.6407 -10.1883 -10.5374 PRESSURE: 4559200 -81.2869 -45.9726 14.0898 -45.9736 52.9413 27.0621 14.0912 27.0617 322.452 GPRESSURE: 4559200 -54.8643 -61.5553 39.3014 -74.7772 90.0491 77.4026 -24.9685 30.9237 358.88 PRESSAVG: 4559200 -59.916 -55.2074 61.2785 -55.2075 35.6514 -44.5944 61.2784 -44.5944 39.365 GPRESSAVG: 4559200 -59.2062 -55.7837 64.5008 -54.5682 35.8935 -45.2737 59.1653 -45.4502 38.7825 TIMING: 4559200 CPU: 13247.5, 0.00290441/step Wall: 13247.5, 0.00290441/step, 0.355629 hours remaining, 208.585938 MB of memory in use. ENERGY: 4559200 750.9108 2099.6219 1963.0407 125.4784 -205930.5543 17760.3421 0.0000 0.0000 34228.5715 -149002.5889 298.9266 -183231.1604 -148905.3333 299.5297 98.0355 131.3550 556780.0305 5.0334 5.1566 PRESSURE: 4559400 52.0855 35.7853 -11.5692 35.7855 21.6304 -180.656 -11.5689 -180.656 63.8213 GPRESSURE: 4559400 102.753 34.973 -56.8307 167.307 52.1392 -116.224 75.504 -255.398 83.1581 PRESSAVG: 4559400 -41.5929 -46.0095 -5.95398 -46.0095 -11.3651 -28.1933 -5.95397 -28.1933 20.7232 GPRESSAVG: 4559400 -42.2354 -44.1495 -6.86862 -45.7908 -11.8 -25.9628 -5.20088 -28.8092 21.722 TIMING: 4559400 CPU: 13248.1, 0.00289866/step Wall: 13248.1, 0.00289866/step, 0.354764 hours remaining, 208.585938 MB of memory in use. ENERGY: 4559400 749.0561 2121.2810 1975.4732 113.8565 -206154.7745 17989.7150 0.0000 0.0000 34273.4790 -148931.9137 299.3188 -183205.3926 -148830.5952 298.7827 45.8457 79.3502 558873.7529 -10.7449 -10.7711 PRESSURE: 4559600 -129.96 107.086 -141.77 107.086 -248.309 22.4768 -141.769 22.4763 -218.153 GPRESSURE: 4559600 -92.9364 68.6217 -111.713 106.722 -238.259 67.7372 -206.234 13.2676 -166.599 PRESSAVG: 4559600 61.6267 -23.385 51.405 -23.3851 -52.58 -24.3655 51.405 -24.3654 4.55787 GPRESSAVG: 4559600 61.1609 -22.0966 49.4329 -25.2626 -52.9892 -27.3153 51.709 -24.3589 5.59947 TIMING: 4559600 CPU: 13248.7, 0.0028861/step Wall: 13248.7, 0.0028861/step, 0.353066 hours remaining, 208.585938 MB of memory in use. ENERGY: 4559600 755.1012 2102.0635 1955.5299 109.1925 -205633.1150 17629.3109 0.0000 0.0000 34183.5977 -148898.3192 298.5339 -183081.9169 -148804.1917 299.4046 -198.8072 -165.9315 559253.8988 4.5348 4.5904 PRESSURE: 4559800 12.4958 -53.6387 135.539 -53.6382 49.2893 -145.685 135.541 -145.685 -21.2107 GPRESSURE: 4559800 85.0428 -131.449 77.978 38.9984 60.0436 -75.8222 81.4708 -164.283 -10.5568 PRESSAVG: 4559800 11.5847 -1.3014 28.3626 -1.30136 5.31554 -28.7016 28.3626 -28.7016 -3.84776 GPRESSAVG: 4559800 12.0905 -2.20591 29.1613 1.0782 4.90034 -26.0347 27.3291 -28.6738 -4.30653 TIMING: 4559800 CPU: 13249.2, 0.00289604/step Wall: 13249.2, 0.00289604/step, 0.354122 hours remaining, 208.585938 MB of memory in use. ENERGY: 4559800 772.0978 2081.6416 1960.8892 124.2404 -206004.4379 17947.7872 0.0000 0.0000 34184.9417 -148932.8399 298.5456 -183117.7817 -148839.5880 299.7322 13.5248 44.8432 558790.5948 4.3508 4.2281 PRESSURE: 4560000 -291.525 -68.6478 108.211 -68.6467 50.6464 99.2448 108.21 99.2454 -153.793 GPRESSURE: 4560000 -253.882 -88.5995 54.6559 -61.5665 72.1431 102.69 64.701 134.615 -122.589 PRESSAVG: 4560000 -8.56733 40.1708 19.8342 40.1708 14.037 -2.51728 19.8342 -2.51728 -12.6999 GPRESSAVG: 4560000 -9.23088 39.8293 20.0102 40.2987 13.7915 -4.71224 19.4903 -1.69541 -11.9489 TIMING: 4560000 CPU: 13249.8, 0.00289578/step Wall: 13249.8, 0.00289578/step, 0.353928 hours remaining, 208.585938 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: 4560000 737.9454 2166.7809 1947.7298 132.4273 -205893.9635 17743.1644 0.0000 0.0000 34219.2908 -148946.6249 298.8456 -183165.9156 -148852.4374 298.9007 -131.5571 -101.4426 558284.2670 -2.4101 -2.4627 PRESSURE: 4560200 -19.5061 -153.576 52.0055 -153.575 -36.9715 -144.362 52.0058 -144.362 129.952 GPRESSURE: 4560200 12.7559 -112.378 82.3742 -201.026 27.7415 -56.653 89.2597 -203.985 130.193 PRESSAVG: 4560200 -21.5861 -31.3262 27.8888 -31.3261 87.594 16.5178 27.8888 16.5178 -22.3881 GPRESSAVG: 4560200 -21.1524 -31.94 28.4345 -31.7058 89.0521 17.473 27.6506 16.487 -23.9979 TIMING: 4560200 CPU: 13250.4, 0.00289219/step Wall: 13250.4, 0.00289219/step, 0.353329 hours remaining, 208.585938 MB of memory in use. ENERGY: 4560200 753.9883 2059.9618 1953.4987 103.4604 -206172.0994 17959.6117 0.0000 0.0000 34447.3610 -148894.2174 300.8374 -183341.5784 -148801.5255 300.2664 24.4914 56.8968 558767.9378 14.5399 14.6339 LDB: ============= START OF LOAD BALANCING ============== 13253.9 LDB: ============== END OF LOAD BALANCING =============== 13253.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13253.9 LDB: ============= START OF LOAD BALANCING ============== 13254.1 LDB: Largest compute 4848 load 0.030771 is 26.1% of average load 0.117841 LDB: Average compute 0.001739 is 1.5% of average load 0.117841 LDB: TIME 13254.1 LOAD: AVG 0.117841 MAX 0.178193 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.074 MB LDB: TIME 13254.1 LOAD: AVG 0.117841 MAX 0.178193 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: TIME 13254.1 LOAD: AVG 0.117841 MAX 0.178193 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: ============== END OF LOAD BALANCING =============== 13254.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13254.2 PRESSURE: 4560400 -89.9432 -28.2909 37.707 -28.2923 -224.877 106.734 37.7082 106.733 -128.741 GPRESSURE: 4560400 -52.5952 58.5051 104.457 -25.9882 -170.066 109.144 -34.7955 82.0282 -103.139 PRESSAVG: 4560400 13.8227 13.4794 1.86756 13.4795 21.7588 -16.9973 1.86754 -16.9973 -62.8656 GPRESSAVG: 4560400 14.1486 13.8604 2.28288 14.0869 21.545 -16.4767 1.66326 -16.0461 -62.7304 TIMING: 4560400 CPU: 13251, 0.00294645/step Wall: 13251, 0.00294645/step, 0.359794 hours remaining, 209.023438 MB of memory in use. ENERGY: 4560400 782.2735 2049.3553 1939.5711 110.2910 -206115.8773 17820.4842 0.0000 0.0000 34501.7954 -148912.1068 301.3128 -183413.9023 -148813.3011 300.0883 -147.8538 -108.6003 559170.5621 -9.0947 -9.0122 PRESSURE: 4560600 36.583 -94.4935 -39.2783 -94.4932 35.9855 78.7298 -39.2768 78.7302 -12.8065 GPRESSURE: 4560600 57.5308 -104.109 -74.6753 -43.623 82.0405 20.2061 -6.03686 90.035 11.5989 PRESSAVG: 4560600 -24.4478 7.93083 -38.5579 7.93079 89.0414 -15.6926 -38.5579 -15.6927 -83.153 GPRESSAVG: 4560600 -24.7203 7.67695 -38.8417 7.13343 88.7664 -15.4519 -38.2063 -17.6801 -82.7064 TIMING: 4560600 CPU: 13251.6, 0.0028882/step Wall: 13251.6, 0.0028882/step, 0.352521 hours remaining, 209.484375 MB of memory in use. ENERGY: 4560600 777.4680 2081.8475 1996.1077 114.0220 -206195.1576 17853.0368 0.0000 0.0000 34445.1267 -148927.5488 300.8179 -183372.6755 -148831.6666 299.9229 19.9207 50.3901 558400.1065 -6.1864 -6.2201 PRESSURE: 4560800 -55.0881 127.296 -119.971 127.297 -216.232 33.046 -119.971 33.0466 19.5814 GPRESSURE: 4560800 -22.6235 115.082 -198.395 92.0848 -166.152 29.8375 -71.4086 -30.9225 29.3054 PRESSAVG: 4560800 -8.08227 14.7245 -38.5899 14.7245 -54.1482 -54.1768 -38.5899 -54.1767 64.5472 GPRESSAVG: 4560800 -8.96468 14.5543 -38.8069 13.7328 -53.1589 -54.4092 -37.6582 -53.3603 64.1288 TIMING: 4560800 CPU: 13252.1, 0.00288786/step Wall: 13252.1, 0.00288786/step, 0.352319 hours remaining, 209.484375 MB of memory in use. ENERGY: 4560800 768.1124 2031.3530 1959.0929 117.5371 -206103.0130 17785.6324 0.0000 0.0000 34370.0499 -149071.2352 300.1622 -183441.2852 -148976.5091 300.2101 -83.9129 -53.1568 559406.1923 0.7723 0.6684 PRESSURE: 4561000 -397.499 -93.8087 -72.9877 -93.8077 -152.781 96.413 -72.9886 96.4137 -274.021 GPRESSURE: 4561000 -377.904 -100.567 -110.945 -108.327 -143.743 142.014 -42.1421 46.7267 -187.772 PRESSAVG: 4561000 102.422 -14.6145 13.1502 -14.6145 -90.689 2.39864 13.1502 2.39857 6.31972 GPRESSAVG: 4561000 102.515 -16.173 14.0808 -12.5272 -91.265 0.873159 12.9111 2.22315 7.31267 TIMING: 4561000 CPU: 13252.7, 0.0029035/step Wall: 13252.7, 0.0029035/step, 0.354066 hours remaining, 209.484375 MB of memory in use. ENERGY: 4561000 766.2010 2078.8861 1987.9133 106.1946 -205840.3199 17441.6246 0.0000 0.0000 34419.1951 -149040.3051 300.5914 -183459.5003 -148946.8287 300.0265 -274.7669 -236.4727 558617.4606 6.0176 6.1875 PRESSURE: 4561200 238.717 140.098 -147.079 140.098 -270.339 7.77393 -147.08 7.77227 146.859 GPRESSURE: 4561200 197.02 209.754 -232.513 15.6422 -155.985 187.752 -36.7808 45.7724 174.774 PRESSAVG: 4561200 1.43544 -9.29853 13.0778 -9.29848 -54.7813 -21.1692 13.0777 -21.1692 83.9141 GPRESSAVG: 4561200 1.34369 -5.17096 10.3828 -12.4732 -54.5299 -19.7201 13.6459 -19.3882 84.0646 TIMING: 4561200 CPU: 13253.3, 0.00291138/step Wall: 13253.3, 0.00291139/step, 0.354865 hours remaining, 209.484375 MB of memory in use. ENERGY: 4561200 712.1648 2050.3440 1946.3522 118.1597 -206227.7032 17858.4503 0.0000 0.0000 34417.0067 -149125.2254 300.5723 -183542.2321 -149025.0558 299.8344 38.4122 71.9364 557796.1913 10.1894 10.2928 PRESSURE: 4561400 -80.7613 71.8473 101.384 71.8466 -315.771 44.9247 101.385 44.9238 85.3835 GPRESSURE: 4561400 -7.3972 69.9229 222.774 43.0869 -265.35 50.0471 51.0572 52.6946 62.9278 PRESSAVG: 4561400 -36.4962 28.7519 9.02604 28.7519 3.12267 10.4524 9.02603 10.4524 -9.8167 GPRESSAVG: 4561400 -35.4449 27.3929 8.65774 29.416 1.51121 8.7595 10.8169 10.951 -9.01948 TIMING: 4561400 CPU: 13253.9, 0.00291742/step Wall: 13253.9, 0.00291742/step, 0.355438 hours remaining, 209.484375 MB of memory in use. ENERGY: 4561400 750.9793 2076.1019 1947.7239 109.0262 -205852.0293 17727.9203 0.0000 0.0000 34223.4478 -149016.8299 298.8819 -183240.2777 -148919.6341 299.6111 -103.7161 -69.9399 558264.7447 -14.3967 -14.3177 PRESSURE: 4561600 -23.8162 92.3187 -15.4174 92.3204 49.9996 -184.358 -15.4178 -184.359 221.8 GPRESSURE: 4561600 -33.7591 78.182 -32.4266 90.8626 174.875 -144.189 -13.038 -240.126 201.514 PRESSAVG: 4561600 -25.6636 31.1274 1.20302 31.1274 -8.15462 1.42987 1.20303 1.42969 7.64899 GPRESSAVG: 4561600 -26.6788 29.1392 2.80997 32.2216 -6.5483 3.43738 -1.36106 0.291311 6.55838 TIMING: 4561600 CPU: 13254.5, 0.0029125/step Wall: 13254.5, 0.0029125/step, 0.354678 hours remaining, 209.750000 MB of memory in use. ENERGY: 4561600 758.0748 2058.7361 1970.2644 114.5638 -206370.1779 18016.1965 0.0000 0.0000 34454.4524 -148997.8898 300.8993 -183452.3423 -148907.7377 300.0710 82.6611 114.2099 557982.8617 -8.7231 -8.8896 PRESSURE: 4561800 -8.53693 -99.1238 -121.155 -99.1252 -243.123 44.2761 -121.156 44.2771 5.83679 GPRESSURE: 4561800 80.5808 -103.414 -57.8385 -71.3943 -267.491 -16.2591 -63.3569 58.5875 38.2356 PRESSAVG: 4561800 19.5332 -23.624 -1.22156 -23.6239 55.5279 -11.3431 -1.22152 -11.3431 -50.3322 GPRESSAVG: 4561800 20.7148 -23.3048 -2.0949 -25.0522 54.4317 -11.036 -0.749884 -10.4759 -50.6096 TIMING: 4561800 CPU: 13255, 0.00292665/step Wall: 13255, 0.00292665/step, 0.356238 hours remaining, 209.750000 MB of memory in use. ENERGY: 4561800 752.8731 2074.0674 1970.6779 123.2436 -205740.8938 17766.2741 0.0000 0.0000 34276.8507 -148776.9070 299.3483 -183053.7577 -148681.4986 299.4313 -81.9410 -49.5581 559006.4919 8.2430 8.1790 PRESSURE: 4562000 5.30136 -119.783 21.9094 -119.783 -14.8282 97.7723 21.9084 97.772 89.2386 GPRESSURE: 4562000 46.3766 -146.343 98.3333 -86.9645 24.4428 52.2117 27.5164 87.9223 99.2106 PRESSAVG: 4562000 8.87245 -18.9555 -21.7453 -18.9554 10.3409 5.61511 -21.7455 5.61515 -3.65103 GPRESSAVG: 4562000 8.22063 -19.4135 -23.2878 -19.548 11.5006 4.96345 -21.8929 5.73738 -4.07626 TIMING: 4562000 CPU: 13255.6, 0.00292056/step Wall: 13255.6, 0.00292056/step, 0.355335 hours remaining, 209.750000 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: 4562000 762.9983 2112.8202 1924.1252 118.7332 -205625.1689 17866.5035 0.0000 0.0000 34339.4786 -148500.5101 299.8952 -182839.9887 -148405.1080 301.6316 26.5706 56.6767 559319.7040 5.1874 5.2150 PRESSURE: 4562200 46.0303 8.07803 -4.52208 8.07761 148.674 -124.559 -4.52243 -124.558 -110.608 GPRESSURE: 4562200 47.6115 57.459 93.2076 -50.2105 188.763 -85.486 -37.6358 -246.084 -68.1851 PRESSAVG: 4562200 -21.0007 -37.904 1.48059 -37.904 19.2235 -62.1298 1.48054 -62.1299 -28.316 GPRESSAVG: 4562200 -20.9905 -37.3041 4.88738 -36.3503 16.822 -61.8908 0.704097 -65.6448 -26.2892 TIMING: 4562200 CPU: 13256.2, 0.00291501/step Wall: 13256.2, 0.00291501/step, 0.354498 hours remaining, 209.750000 MB of memory in use. ENERGY: 4562200 756.9053 2100.1301 1976.0384 108.9725 -205800.3136 17839.2677 0.0000 0.0000 34503.2269 -148515.7727 301.3253 -183018.9997 -148413.5485 301.7021 28.0320 56.0631 558386.2265 -10.0311 -10.1526 PRESSURE: 4562400 -392.342 49.2652 77.4559 49.2654 -325.409 19.2483 77.4542 19.2484 -136.105 GPRESSURE: 4562400 -363.057 48.514 105.543 69.294 -260.067 -4.54406 -2.94545 59.7133 -138.406 PRESSAVG: 4562400 -18.4608 -26.2868 35.9282 -26.2868 -75.7354 -62.4802 35.9282 -62.4801 86.5924 GPRESSAVG: 4562400 -19.3546 -27.0707 34.3775 -25.2713 -73.8328 -62.6601 36.2708 -59.6728 85.4408 TIMING: 4562400 CPU: 13256.8, 0.00290497/step Wall: 13256.8, 0.00290497/step, 0.353115 hours remaining, 209.750000 MB of memory in use. ENERGY: 4562400 766.2345 2098.0774 1964.1321 100.7526 -205648.9489 17361.3679 0.0000 0.0000 34670.3447 -148688.0397 302.7847 -183358.3844 -148586.1206 301.3966 -284.6186 -253.8436 558996.0992 -2.5346 -2.5822 PRESSURE: 4562600 -281.243 150.817 -119.524 150.817 -232.561 -58.804 -119.524 -58.8045 -7.67327 GPRESSURE: 4562600 -252.688 142.254 -205.733 177.201 -181.398 -51.387 -73.1536 -115.769 8.93113 PRESSAVG: 4562600 -65.17 -0.892586 27.6229 -0.892554 68.5008 -11.6936 27.6229 -11.6936 36.164 GPRESSAVG: 4562600 -64.3248 0.113094 27.4266 -2.51314 68.3502 -11.3693 26.7227 -11.7301 35.2575 TIMING: 4562600 CPU: 13257.4, 0.00291084/step Wall: 13257.4, 0.00291084/step, 0.353667 hours remaining, 209.750000 MB of memory in use. ENERGY: 4562600 710.5988 2060.1455 1987.6178 109.1172 -205601.5813 17345.2562 0.0000 0.0000 34685.2266 -148703.6192 302.9147 -183388.8458 -148604.8930 301.0256 -173.8259 -141.7180 558962.9642 13.1649 13.0943 PRESSURE: 4562800 3.05387 91.2552 14.3024 91.2545 -84.9108 9.07141 14.3003 9.07288 -304.868 GPRESSURE: 4562800 23.4594 19.9446 -88.7216 136.959 -63.9357 89.2398 108.103 -64.1546 -252.291 PRESSAVG: 4562800 -34.9828 30.7217 -1.41106 30.7216 4.8044 4.22408 -1.41106 4.224 -14.8058 GPRESSAVG: 4562800 -35.3744 30.7862 -1.2847 31.6186 3.85906 4.30316 0.56778 5.34601 -13.586 TIMING: 4562800 CPU: 13258, 0.0028828/step Wall: 13258, 0.0028828/step, 0.3501 hours remaining, 209.750000 MB of memory in use. ENERGY: 4562800 774.0659 2058.0074 1947.2588 122.3951 -206027.2022 17877.4750 0.0000 0.0000 34439.2397 -148808.7601 300.7664 -183247.9999 -148713.2196 301.2606 -128.9082 -97.5890 559466.0537 -14.9947 -15.0338 PRESSURE: 4563000 -173.099 186.608 -142.577 186.608 -103.492 30.1033 -142.576 30.103 -58.2304 GPRESSURE: 4563000 -100.472 125.659 -190.961 202.067 -70.8982 82.5081 -137.195 -24.3335 -68.1223 PRESSAVG: 4563000 28.5922 78.0937 -62.2957 78.0937 53.9274 -54.6193 -62.2957 -54.6192 -23.3235 GPRESSAVG: 4563000 27.7009 77.9056 -62.085 76.5451 54.6816 -53.9786 -62.0417 -57.29 -22.8315 TIMING: 4563000 CPU: 13258.5, 0.00288319/step Wall: 13258.5, 0.00288319/step, 0.349987 hours remaining, 209.750000 MB of memory in use. ENERGY: 4563000 794.7259 2022.4088 1979.9803 118.5359 -205732.0664 17637.5844 0.0000 0.0000 34212.7922 -148966.0390 298.7888 -183178.8312 -148861.1672 301.0179 -111.6072 -79.8307 557923.6654 19.7321 19.8503 PRESSURE: 4563200 164.722 4.64106 -25.5057 4.64053 100.302 86.5849 -25.5064 86.5848 152.634 GPRESSURE: 4563200 111.883 -36.5696 -8.13592 38.6479 214.118 102.339 -35.9321 55.3405 196.014 PRESSAVG: 4563200 3.99897 -7.21495 -23.1163 -7.215 -51.5147 46.6133 -23.1163 46.6134 57.421 GPRESSAVG: 4563200 4.61419 -7.02761 -22.6801 -5.77204 -50.5713 46.2755 -24.4332 48.5966 55.769 TIMING: 4563200 CPU: 13259.1, 0.00289318/step Wall: 13259.1, 0.00289318/step, 0.351039 hours remaining, 209.750000 MB of memory in use. ENERGY: 4563200 743.0008 2134.9020 1976.9578 112.2964 -206552.0731 18116.1653 0.0000 0.0000 34591.9794 -148876.7715 302.1004 -183468.7508 -148782.5049 300.8462 139.2195 174.0052 557094.3838 3.3017 3.2706 PRESSURE: 4563400 207.981 -64.5727 -131.831 -64.5735 158.814 4.67233 -131.832 4.67026 -76.3424 GPRESSURE: 4563400 247.219 -74.2685 2.55031 -45.5052 150.778 -63.0643 -245.517 22.0085 -9.63269 PRESSAVG: 4563400 21.3567 -61.8919 -12.0048 -61.8919 -6.63866 17.223 -12.0047 17.2229 -44.5896 GPRESSAVG: 4563400 21.6649 -63.2693 -11.7834 -61.9889 -6.87024 18.1052 -12.1556 15.5743 -44.1854 TIMING: 4563400 CPU: 13259.7, 0.00290072/step Wall: 13259.7, 0.00290072/step, 0.351793 hours remaining, 209.750000 MB of memory in use. ENERGY: 4563400 764.6068 2112.9122 1941.5828 119.9866 -206334.4421 18024.1311 0.0000 0.0000 34353.5475 -149017.6750 300.0181 -183371.2225 -148927.0880 300.9063 96.8176 129.4545 557383.9378 -9.9572 -9.7969 PRESSURE: 4563600 -85.566 67.4136 42.9406 67.4126 -447.252 37.8866 42.9394 37.8872 -145.841 GPRESSURE: 4563600 -141.146 76.6527 65.3999 73.808 -346.726 2.89271 82.0518 -12.7313 -91.9788 PRESSAVG: 4563600 22.2501 -10.4352 -46.7405 -10.4352 -33.3796 19.4821 -46.7405 19.4822 -16.997 GPRESSAVG: 4563600 21.6024 -6.47437 -48.4477 -13.5417 -33.6854 16.5275 -45.2351 21.7296 -15.913 TIMING: 4563600 CPU: 13260.3, 0.00291771/step Wall: 13260.3, 0.00291771/step, 0.353692 hours remaining, 209.757812 MB of memory in use. ENERGY: 4563600 755.3201 2107.7570 1980.6482 118.9377 -205649.9569 17395.0548 0.0000 0.0000 34230.3835 -149061.8557 298.9425 -183292.2392 -148972.0065 299.9187 -226.2194 -193.2836 558996.7596 -9.3755 -9.3320 PRESSURE: 4563800 -181.024 77.0914 -79.5994 77.0924 78.7287 91.3182 -79.598 91.3185 152.19 GPRESSURE: 4563800 -91.5409 107.344 -130.808 75.502 91.7765 84.9057 -13.9631 83.4726 148.135 PRESSAVG: 4563800 -2.49659 30.2307 -6.75511 30.2306 -37.6821 19.5902 -6.75507 19.5902 70.8291 GPRESSAVG: 4563800 -1.54072 27.8331 -6.3103 34.4282 -36.85 21.8673 -8.41139 19.1203 69.8884 TIMING: 4563800 CPU: 13260.9, 0.00292663/step Wall: 13260.9, 0.00292663/step, 0.35461 hours remaining, 209.757812 MB of memory in use. ENERGY: 4563800 725.6592 2104.0499 1955.9413 121.0219 -206024.8705 17750.7293 0.0000 0.0000 34242.5807 -149124.8883 299.0490 -183367.4689 -149021.1417 299.0886 16.6316 49.4569 557972.8398 10.2168 10.4992 PRESSURE: 4564000 -77.7144 103.193 69.1025 103.193 -22.6105 -16.8584 69.1008 -16.8587 -265.947 GPRESSURE: 4564000 -7.30133 93.8158 100.209 21.966 -36.7757 -18.217 83.0625 33.8332 -235.158 PRESSAVG: 4564000 -50.742 33.3351 -3.71447 33.3351 17.7078 48.1022 -3.71444 48.1021 37.2878 GPRESSAVG: 4564000 -50.355 32.9946 -2.10344 30.0513 16.8182 48.3283 -3.0222 47.8228 37.3938 TIMING: 4564000 CPU: 13261.4, 0.00289799/step Wall: 13261.4, 0.00289799/step, 0.350979 hours remaining, 209.757812 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: 4564000 780.1683 2121.6533 1972.2165 111.9526 -205989.7912 17774.8699 0.0000 0.0000 34143.4470 -149085.4836 298.1832 -183228.9306 -148993.2612 299.6335 -122.0906 -93.0783 557899.3019 1.4179 1.2857 PRESSURE: 4564200 194.998 -9.28415 -67.1398 -9.28413 75.4772 -245.754 -67.1405 -245.754 -167.448 GPRESSURE: 4564200 178.445 -26.2398 -24.1347 -62.5162 84.0089 -164.255 -77.5987 -247.246 -58.0225 PRESSAVG: 4564200 -0.307344 0.0716599 -3.93479 0.0716611 -4.45269 15.8587 -3.93481 15.8587 -4.19272 GPRESSAVG: 4564200 -0.608311 -2.34633 -4.43929 2.86072 -4.01233 16.2551 -3.09882 15.0797 -3.97256 TIMING: 4564200 CPU: 13262, 0.00290269/step Wall: 13262, 0.00290269/step, 0.351387 hours remaining, 209.757812 MB of memory in use. ENERGY: 4564200 711.5164 2078.3144 1969.8994 126.1389 -206335.7134 17840.3945 0.0000 0.0000 34448.9975 -149160.4524 300.8517 -183609.4498 -149068.8501 299.6871 34.3422 68.1439 556748.0940 -2.9843 -2.8644 LDB: ============= START OF LOAD BALANCING ============== 13265.5 LDB: ============== END OF LOAD BALANCING =============== 13265.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13265.5 LDB: ============= START OF LOAD BALANCING ============== 13265.8 LDB: Largest compute 4848 load 0.030836 is 26.2% of average load 0.117858 LDB: Average compute 0.001732 is 1.5% of average load 0.117858 LDB: TIME 13265.8 LOAD: AVG 0.117858 MAX 0.179391 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 13265.8 LOAD: AVG 0.117858 MAX 0.179391 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: TIME 13265.8 LOAD: AVG 0.117858 MAX 0.179391 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13265.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13265.8 PRESSURE: 4564400 -173.222 -54.1694 120.81 -54.1704 -244.379 -46.8537 120.81 -46.8528 -102.008 GPRESSURE: 4564400 -87.1934 47.5011 15.2639 -173.37 -246.107 -105.104 75.8176 62.0545 -92.5912 PRESSAVG: 4564400 21.188 -32.0269 31.0964 -32.027 -43.0434 -29.6754 31.0965 -29.6755 38.8693 GPRESSAVG: 4564400 20.671 -29.1517 30.6678 -33.7333 -42.9124 -29.684 29.5685 -28.8321 39.1043 TIMING: 4564400 CPU: 13262.6, 0.0029626/step Wall: 13262.6, 0.0029626/step, 0.358475 hours remaining, 209.273438 MB of memory in use. ENERGY: 4564400 767.8433 2124.3520 1948.9613 110.3483 -205704.5073 17541.7973 0.0000 0.0000 33928.0720 -149283.1331 296.3023 -183211.2052 -149189.4023 299.2655 -173.2032 -141.9640 557949.8434 5.6713 5.6209 PRESSURE: 4564600 52.3268 -28.5453 50.8873 -28.5466 -130.958 -109.224 50.8876 -109.224 -54.4829 GPRESSURE: 4564600 72.3245 -92.6464 9.83617 37.9186 -77.1572 -22.3259 60.1045 -148.063 -27.2015 PRESSAVG: 4564600 14.3297 -29.5646 -26.2322 -29.5646 -37.863 13.7336 -26.2322 13.7336 0.410462 GPRESSAVG: 4564600 14.9901 -31.1477 -26.307 -30.1047 -38.7439 14.0019 -26.3965 13.9865 0.172588 TIMING: 4564600 CPU: 13263.2, 0.00290966/step Wall: 13263.2, 0.00290966/step, 0.351908 hours remaining, 209.476562 MB of memory in use. ENERGY: 4564600 774.7873 2137.6004 1976.9237 106.9661 -206459.4742 17802.3402 0.0000 0.0000 34447.6425 -149213.2140 300.8398 -183660.8564 -149115.9795 298.9972 -44.3712 -10.6781 556958.2006 -7.7076 -7.8604 PRESSURE: 4564800 -30.1392 85.7737 -54.8338 85.7744 -148.072 59.7837 -54.8342 59.7837 -194.549 GPRESSURE: 4564800 36.6016 86.323 -81.0121 86.2157 -149.59 90.82 -67.1262 5.35602 -168.888 PRESSAVG: 4564800 24.8823 -32.8669 -19.2545 -32.867 -19.5785 -25.3462 -19.2545 -25.3461 4.24901 GPRESSAVG: 4564800 25.6051 -31.7289 -19.009 -32.3024 -19.0413 -23.7308 -17.1577 -26.1445 3.10053 TIMING: 4564800 CPU: 13263.8, 0.00289575/step Wall: 13263.8, 0.00289575/step, 0.350064 hours remaining, 209.476562 MB of memory in use. ENERGY: 4564800 748.7344 2068.6070 1954.7828 117.1273 -205937.8807 17576.5985 0.0000 0.0000 34284.9815 -149187.0492 299.4193 -183472.0307 -149089.4093 299.6642 -124.2535 -93.9589 557707.5129 3.1843 3.2215 PRESSURE: 4565000 -73.0009 -9.11882 41.7833 -9.11843 -70.3883 110.927 41.7837 110.927 -3.44526 GPRESSURE: 4565000 -29.91 42.1815 29.088 -36.7875 -68.8347 132.463 -15.3616 118.14 48.1985 PRESSAVG: 4565000 -15.233 -21.0556 -64.155 -21.0556 26.5906 28.695 -64.155 28.6951 29.617 GPRESSAVG: 4565000 -14.8865 -20.5214 -63.3642 -22.5857 26.2975 25.3299 -64.8763 29.0947 29.761 TIMING: 4565000 CPU: 13264.4, 0.00290558/step Wall: 13264.4, 0.00290558/step, 0.351091 hours remaining, 209.476562 MB of memory in use. ENERGY: 4565000 736.2191 2113.1976 1955.9049 118.4917 -205938.5630 17675.2252 0.0000 0.0000 34301.3923 -149038.1322 299.5626 -183339.5245 -148939.7498 299.5030 -48.9448 -16.8487 557870.7293 13.6582 13.7240 PRESSURE: 4565200 -87.2588 -17.947 151.196 -17.9465 -125.332 189.879 151.196 189.879 31.8695 GPRESSURE: 4565200 -93.5843 108.482 150.365 -65.9113 -80.2779 187.699 83.4949 218.051 85.2358 PRESSAVG: 4565200 -43.3031 -15.1335 24.3486 -15.1335 -11.5022 -5.00824 24.3486 -5.00821 50.0976 GPRESSAVG: 4565200 -44.3831 -15.6703 25.1657 -13.7932 -11.5734 -2.23437 23.2807 -6.5092 51.6148 TIMING: 4565200 CPU: 13264.9, 0.00289121/step Wall: 13264.9, 0.00289121/step, 0.349193 hours remaining, 209.476562 MB of memory in use. ENERGY: 4565200 725.8670 2115.1017 1971.2249 113.6413 -205726.8508 17578.4608 0.0000 0.0000 34143.5866 -149078.9686 298.1844 -183222.5552 -148980.1532 299.3857 -60.2404 -29.5421 558213.7110 -1.5692 -1.4472 PRESSURE: 4565400 157.128 -63.5296 0.312885 -63.5304 -158.184 136.638 0.312945 136.637 -318.1 GPRESSURE: 4565400 91.1833 4.13465 -20.2275 -113.849 -124.717 138.512 -33.351 89.9347 -188.34 PRESSAVG: 4565400 -3.79886 16.2826 37.1925 16.2827 -17.6221 62.0679 37.1925 62.068 36.3989 GPRESSAVG: 4565400 -3.3414 17.3055 37.4824 15.7541 -17.7624 59.5425 37.7694 64.2803 35.8452 TIMING: 4565400 CPU: 13265.5, 0.00288491/step Wall: 13265.5, 0.00288491/step, 0.348273 hours remaining, 209.476562 MB of memory in use. ENERGY: 4565400 738.1183 2125.1281 1955.7766 124.5877 -206050.6001 17752.9793 0.0000 0.0000 34337.1833 -149016.8267 299.8752 -183354.0100 -148914.2957 299.4975 -106.3850 -73.9578 559128.9827 4.9927 4.9138 PRESSURE: 4565600 184.254 -42.8179 84.1799 -42.8187 -34.6821 -8.35065 84.1805 -8.35138 -148.495 GPRESSURE: 4565600 161.397 -28.3457 97.1521 -17.5597 28.9088 4.48626 75.2534 -17.9107 -90.6334 PRESSAVG: 4565600 -8.17526 16.0635 41.3318 16.0635 39.4267 -19.1309 41.3317 -19.1308 -8.88574 GPRESSAVG: 4565600 -8.2799 15.8162 41.3676 16.8414 39.7261 -17.2901 39.945 -22.1255 -9.34503 TIMING: 4565600 CPU: 13266.1, 0.00290316/step Wall: 13266.1, 0.00290316/step, 0.350314 hours remaining, 209.476562 MB of memory in use. ENERGY: 4565600 770.1151 2111.8905 1944.5067 117.0874 -206132.4002 17940.9182 0.0000 0.0000 34161.9542 -149085.9281 298.3448 -183247.8823 -148978.1924 299.8480 0.3592 33.2241 557923.7274 7.4552 7.3670 PRESSURE: 4565800 206.423 -75.1196 -35.3497 -75.119 32.3049 69.3241 -35.3488 69.3231 274.223 GPRESSURE: 4565800 243.17 -12.1999 120.404 -84.1203 98.2955 62.0992 -52.0189 98.5876 265.268 PRESSAVG: 4565800 14.9632 28.5414 -1.57064 28.5414 20.8942 -7.71649 -1.57062 -7.71651 -50.7035 GPRESSAVG: 4565800 14.927 28.9418 -1.98464 28.6442 20.1799 -6.84014 -0.82688 -6.08635 -50.7774 TIMING: 4565800 CPU: 13266.7, 0.00289765/step Wall: 13266.7, 0.00289765/step, 0.349489 hours remaining, 209.476562 MB of memory in use. ENERGY: 4565800 731.7937 2095.4445 1981.4740 117.4290 -206348.0429 18030.9982 0.0000 0.0000 34472.1613 -148918.7422 301.0540 -183390.9035 -148821.1618 300.0547 170.9836 202.2443 555621.6710 -4.9487 -5.2235 PRESSURE: 4566000 -377.928 48.4175 -98.546 48.417 -0.131645 -40.8907 -98.5461 -40.8894 -338.771 GPRESSURE: 4566000 -319.53 15.6406 -133.325 12.8852 55.9505 0.308732 -25.1418 -132.492 -359.425 PRESSAVG: 4566000 -40.4987 22.9534 -65.3405 22.9534 2.68921 -50.6075 -65.3404 -50.6075 12.9164 GPRESSAVG: 4566000 -39.4958 21.7713 -65.2554 22.3978 2.46454 -51.0934 -65.0742 -51.4801 12.4318 TIMING: 4566000 CPU: 13267.2, 0.00287819/step Wall: 13267.2, 0.00287818/step, 0.346981 hours remaining, 209.476562 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: 4566000 729.5312 2069.9306 1958.3282 116.9400 -205802.5142 17445.7012 0.0000 0.0000 34566.4616 -148915.6214 301.8775 -183482.0830 -148814.9448 299.9569 -238.9437 -207.6680 559091.1888 -8.2977 -8.1998 PRESSURE: 4566200 32.81 24.9669 -80.1494 24.9674 -318.976 -6.1474 -80.1488 -6.14632 -85.8089 GPRESSURE: 4566200 89.3327 34.0846 -96.2076 -35.9275 -313.055 -9.37915 -18.1181 -27.2469 -52.3484 PRESSAVG: 4566200 -39.2431 14.6469 -25.2064 14.6469 20.1277 20.4849 -25.2065 20.4849 -29.0289 GPRESSAVG: 4566200 -40.4336 13.6418 -26.5575 14.7081 21.1711 17.8441 -24.5679 21.2938 -28.4171 TIMING: 4566200 CPU: 13267.8, 0.00289273/step Wall: 13267.8, 0.00289273/step, 0.348574 hours remaining, 209.476562 MB of memory in use. ENERGY: 4566200 757.5051 2010.6368 1966.4321 116.4025 -206033.8472 17640.2642 0.0000 0.0000 34442.5784 -149100.0281 300.7956 -183542.6065 -148997.6309 300.1206 -123.9916 -92.0236 557368.7897 -16.0481 -15.8932 PRESSURE: 4566400 204.055 14.5507 245.377 14.5511 192.358 -23.7815 245.376 -23.7828 78.8735 GPRESSURE: 4566400 247.659 9.33389 212.572 61.8911 198.513 -38.6933 255.195 -62.8921 112.015 PRESSAVG: 4566400 31.6849 40.6191 -3.49554 40.6191 87.3792 -7.23189 -3.49546 -7.23207 -105.393 GPRESSAVG: 4566400 33.3706 42.8179 -4.78734 40.9105 85.9803 -6.05689 -3.81635 -6.73846 -105.378 TIMING: 4566400 CPU: 13268.4, 0.00290831/step Wall: 13268.4, 0.00290831/step, 0.35029 hours remaining, 209.476562 MB of memory in use. ENERGY: 4566400 765.2490 2092.3416 1943.7649 126.3231 -206560.6371 18079.7057 0.0000 0.0000 34519.8957 -149033.3571 301.4708 -183553.2529 -148938.9246 299.7233 158.4287 186.0622 556971.2884 4.5570 4.6576 PRESSURE: 4566600 -36.2493 73.3059 -15.5567 73.3052 24.1051 69.8817 -15.5572 69.8826 163.947 GPRESSURE: 4566600 32.1666 -5.2184 27.9797 86.8963 77.2621 30.031 -73.552 111.28 128.814 PRESSAVG: 4566600 17.614 -12.6057 -31.9362 -12.6058 -17.4057 29.6623 -31.9361 29.6624 -14.0126 GPRESSAVG: 4566600 17.2812 -14.3348 -30.0981 -15.3785 -17.533 29.8709 -32.5433 29.1776 -13.0093 TIMING: 4566600 CPU: 13269, 0.0028986/step Wall: 13269, 0.0028986/step, 0.348959 hours remaining, 209.476562 MB of memory in use. ENERGY: 4566600 714.8304 2088.6772 1932.3680 106.9384 -205699.2625 17745.8462 0.0000 0.0000 34156.1003 -148954.5021 298.2937 -183110.6024 -148859.9173 299.4018 50.6009 79.4141 558562.1251 -4.6014 -4.4204 PRESSURE: 4566800 7.41712 -114.669 -13.4595 -114.671 14.2683 83.4383 -13.4586 83.4372 -350.691 GPRESSURE: 4566800 34.5222 -162.801 -11.8114 -88.2692 60.648 75.7803 30.3486 62.3052 -314.1 PRESSAVG: 4566800 0.0667618 6.78994 -72.2098 6.78988 -26.1468 4.75811 -72.2097 4.7581 4.3024 GPRESSAVG: 4566800 -0.0972516 6.48599 -73.6927 8.34191 -24.7833 3.43957 -69.2228 4.54466 3.37117 TIMING: 4566800 CPU: 13269.6, 0.0029243/step Wall: 13269.6, 0.0029243/step, 0.351891 hours remaining, 209.476562 MB of memory in use. ENERGY: 4566800 761.7195 2062.0974 1923.0555 107.3417 -205726.9562 17695.8669 0.0000 0.0000 34226.4275 -148950.4478 298.9079 -183176.8753 -148854.0291 298.9981 -109.6684 -72.9767 559375.9187 -7.2592 -7.1698 PRESSURE: 4567000 254.38 117.376 -36.1419 117.376 -58.6872 1.50195 -36.1427 1.50199 183.48 GPRESSURE: 4567000 228.749 57.2488 -59.3525 114.766 43.3842 -78.501 -7.08109 63.4472 196.828 PRESSAVG: 4567000 18.6389 -31.0479 -24.086 -31.0477 -0.117739 51.6781 -24.086 51.678 -11.4277 GPRESSAVG: 4567000 18.2825 -29.5422 -24.1702 -31.4335 -0.411541 51.9708 -28.9192 51.961 -10.5489 TIMING: 4567000 CPU: 13270.1, 0.00290826/step Wall: 13270.1, 0.00290826/step, 0.349798 hours remaining, 209.476562 MB of memory in use. ENERGY: 4567000 727.5921 2050.5585 1956.6607 114.1940 -206089.4599 17851.2017 0.0000 0.0000 34359.9068 -149029.3460 300.0736 -183389.2528 -148934.5482 299.7582 126.3912 156.3203 557422.1302 2.3645 2.4407 PRESSURE: 4567200 68.0132 -90.3411 -2.57408 -90.3418 42.3289 -25.1667 -2.57276 -25.1687 148.75 GPRESSURE: 4567200 37.7521 -102.473 104.029 -139.907 154.025 -93.5086 -17.4743 47.5914 161.915 PRESSAVG: 4567200 -6.72974 48.9022 -19.4106 48.9022 4.39996 20.0033 -19.4106 20.0032 17.7185 GPRESSAVG: 4567200 -6.4761 49.0379 -19.5117 48.0885 4.516 21.6289 -15.5649 20.0045 17.3237 TIMING: 4567200 CPU: 13270.7, 0.00290486/step Wall: 13270.7, 0.00290486/step, 0.349229 hours remaining, 209.476562 MB of memory in use. ENERGY: 4567200 747.2428 2023.5769 1971.3125 120.8413 -206291.4256 17994.9334 0.0000 0.0000 34338.3452 -149095.1736 299.8853 -183433.5188 -149004.6065 298.7958 86.3639 117.8974 556995.3793 5.1296 5.1212 PRESSURE: 4567400 327.785 -35.9414 -121.844 -35.9408 -141.354 10.8758 -121.844 10.8772 -102.677 GPRESSURE: 4567400 331.326 -39.2258 -199.503 86.2354 -58.1462 33.9673 -55.3773 32.8025 -107.695 PRESSAVG: 4567400 20.2811 -28.8307 -79.8074 -28.8306 -36.0886 10.3272 -79.8075 10.3273 20.5 GPRESSAVG: 4567400 20.7384 -30.0314 -80.1697 -26.0918 -36.1025 10.4219 -80.836 9.66325 20.7213 TIMING: 4567400 CPU: 13271.3, 0.00290152/step Wall: 13271.3, 0.00290152/step, 0.348666 hours remaining, 209.476562 MB of memory in use. ENERGY: 4567400 765.6924 2108.5851 1951.8045 119.7980 -206134.6186 17938.5169 0.0000 0.0000 34242.5967 -149007.6249 299.0491 -183250.2216 -148909.9232 299.9640 27.9180 55.1617 556734.5840 1.5641 1.7857 PRESSURE: 4567600 211.313 218.933 86.6081 218.933 25.2249 155.346 86.6089 155.347 -25.2274 GPRESSURE: 4567600 286.043 201.684 68.4909 288.518 24.945 243.776 127.059 106.976 -0.166973 PRESSAVG: 4567600 87.7284 31.3439 72.4009 31.344 -52.8335 50.2586 72.4008 50.2586 -54.5717 GPRESSAVG: 4567600 87.6331 29.5448 72.9363 30.9677 -53.5602 50.2415 73.3053 49.9612 -53.2859 TIMING: 4567600 CPU: 13271.9, 0.0029072/step Wall: 13271.9, 0.0029072/step, 0.349188 hours remaining, 209.476562 MB of memory in use. ENERGY: 4567600 754.1321 2095.9128 1965.1299 120.9925 -206207.1673 18022.5745 0.0000 0.0000 34247.0477 -149001.3778 299.0880 -183248.4255 -148908.5161 300.2579 70.4369 103.6071 558424.4394 -6.5589 -6.4043 PRESSURE: 4567800 -214.677 45.2234 -159.362 45.2232 -81.7248 -118.112 -159.362 -118.113 -16.0329 GPRESSURE: 4567800 -177.202 57.2597 -92.6332 77.9147 -8.57159 -191.849 -154.268 -39.5678 -38.6612 PRESSAVG: 4567800 51.0304 81.8034 21.0908 81.8035 -63.9332 88.6747 21.0908 88.6746 -1.09115 GPRESSAVG: 4567800 50.7103 83.9913 19.3948 79.5457 -62.6329 87.5804 22.4936 88.9518 -1.89265 TIMING: 4567800 CPU: 13272.5, 0.00290233/step Wall: 13272.5, 0.00290233/step, 0.348441 hours remaining, 209.476562 MB of memory in use. ENERGY: 4567800 743.9535 2131.7356 1931.7050 114.3293 -206124.2351 17739.2757 0.0000 0.0000 34436.1961 -149027.0400 300.7399 -183463.2360 -148934.8466 300.2865 -104.1450 -74.8117 559895.5050 -4.6646 -4.6051 PRESSURE: 4568000 168.208 -142.277 65.7523 -142.276 255.135 -46.2903 65.7505 -46.2893 -91.5641 GPRESSURE: 4568000 177.535 -145.371 45.8911 -155.79 323.711 16.823 24.65 -20.5819 -72.2741 PRESSAVG: 4568000 21.8285 55.7974 31.1364 55.7974 -30.7895 -31.2699 31.1363 -31.2699 8.83032 GPRESSAVG: 4568000 22.3515 52.0853 32.2904 59.6386 -31.8179 -30.3405 28.5346 -29.0638 8.9815 TIMING: 4568000 CPU: 13273.1, 0.00290188/step Wall: 13273.1, 0.00290188/step, 0.348226 hours remaining, 209.476562 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: 4568000 760.5962 2087.5701 1943.0948 108.3425 -206112.5838 18016.7050 0.0000 0.0000 34197.3864 -148998.8887 298.6543 -183196.2752 -148903.8613 300.0971 110.5929 142.9907 557522.4902 -0.0436 -0.1617 PRESSURE: 4568200 -241.979 -36.1552 -21.1316 -36.1559 -68.9336 -239.081 -21.1313 -239.08 -36.2337 GPRESSURE: 4568200 -168.018 -59.9662 -36.1605 -58.6157 -30.8879 -251.203 -29.1682 -267.904 -63.0069 PRESSAVG: 4568200 -19.7012 16.0403 96.7022 16.0403 39.4229 -38.6331 96.7021 -38.6331 -3.45285 GPRESSAVG: 4568200 -20.7111 19.6787 98.3991 13.0008 40.5027 -37.9503 96.6548 -40.5925 -3.99651 TIMING: 4568200 CPU: 13273.6, 0.00291051/step Wall: 13273.6, 0.00291051/step, 0.3491 hours remaining, 209.476562 MB of memory in use. ENERGY: 4568200 771.7909 2097.5046 1973.8371 110.0643 -205718.8257 17657.1614 0.0000 0.0000 34119.1559 -148989.3115 297.9711 -183108.4674 -148889.8505 299.7380 -115.7153 -87.3044 560415.7790 5.4229 5.2650 LDB: ============= START OF LOAD BALANCING ============== 13277.1 LDB: ============== END OF LOAD BALANCING =============== 13277.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13277.1 LDB: ============= START OF LOAD BALANCING ============== 13277.4 LDB: Largest compute 4848 load 0.027143 is 23.0% of average load 0.117819 LDB: Average compute 0.001733 is 1.5% of average load 0.117819 LDB: TIME 13277.4 LOAD: AVG 0.117819 MAX 0.179361 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.734 MB LDB: TIME 13277.4 LOAD: AVG 0.117819 MAX 0.179361 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: TIME 13277.4 LOAD: AVG 0.117819 MAX 0.179361 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13277.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13277.4 PRESSURE: 4568400 348.666 1.57415 26.0982 1.57416 -112.341 16.8565 26.0975 16.8553 27.6444 GPRESSURE: 4568400 304.831 -24.8226 -4.47952 -74.0309 -71.4024 45.9559 -20.0833 79.9362 127.684 PRESSAVG: 4568400 9.10456 -16.9537 19.0037 -16.9538 31.5903 -54.0027 19.0037 -54.0027 20.7252 GPRESSAVG: 4568400 9.42013 -18.0189 16.3551 -15.7133 31.0607 -55.364 21.1026 -53.6248 21.2065 TIMING: 4568400 CPU: 13274.2, 0.00293592/step Wall: 13274.2, 0.00293592/step, 0.351984 hours remaining, 207.765625 MB of memory in use. ENERGY: 4568400 764.3547 2123.5821 1949.3298 113.8226 -206409.5457 17997.2266 0.0000 0.0000 34243.1254 -149218.1045 299.0537 -183461.2300 -149118.3152 298.9918 87.9901 120.3707 558440.6065 20.4733 20.5625 PRESSURE: 4568600 164.008 150.352 112.304 150.353 96.8758 -90.0173 112.304 -90.0173 76.7844 GPRESSURE: 4568600 197.022 34.5675 176.258 194.146 97.7447 -89.5999 50.1864 -31.9919 129.447 PRESSAVG: 4568600 40.0546 24.2792 21.4051 24.2793 -1.15885 26.9971 21.4051 26.9972 -22.0517 GPRESSAVG: 4568600 40.3736 23.4133 20.6326 23.7893 -0.731981 27.6528 20.7005 27.4223 -22.1457 TIMING: 4568600 CPU: 13274.8, 0.00288862/step Wall: 13274.8, 0.00288863/step, 0.346154 hours remaining, 207.765625 MB of memory in use. ENERGY: 4568600 791.4124 2129.4194 1967.5325 103.9794 -206108.5432 17913.8229 0.0000 0.0000 34091.5814 -149110.7952 297.7303 -183202.3767 -149022.5484 299.4418 112.5561 141.4045 557922.3556 5.6147 5.8320 PRESSURE: 4568800 -126.46 73.029 -29.0112 73.0303 90.3503 -112.996 -29.0103 -112.996 97.3438 GPRESSURE: 4568800 -87.3323 101.014 -79.55 115.981 69.1391 -122.457 11.4113 -68.8603 176.117 PRESSAVG: 4568800 29.565 29.7822 38.7832 29.7823 23.7505 -40.5318 38.7831 -40.5317 -14.1964 GPRESSAVG: 4568800 29.4203 29.4449 40.258 30.2642 23.6029 -38.0013 40.6096 -43.9842 -14.4228 TIMING: 4568800 CPU: 13275.4, 0.00292772/step Wall: 13275.4, 0.00292772/step, 0.350675 hours remaining, 207.765625 MB of memory in use. ENERGY: 4568800 722.7442 2098.6091 1948.8807 107.9162 -205920.0250 17698.6295 0.0000 0.0000 34153.1945 -149190.0507 298.2683 -183343.2452 -149094.9986 298.9174 20.4114 52.6412 558831.0723 13.0397 12.8668 PRESSURE: 4569000 -126.582 30.3716 -32.9084 30.3725 -2.19491 -34.6605 -32.9091 -34.6582 262.294 GPRESSURE: 4569000 -31.6688 78.6937 -25.0307 63.3745 11.5425 -4.93899 -89.654 -48.4735 257.869 PRESSAVG: 4569000 -46.3096 -7.418 -10.2207 -7.41794 49.5911 -15.3359 -10.2208 -15.336 34.8335 GPRESSAVG: 4569000 -46.6676 -5.49919 -11.3669 -8.89801 50.032 -17.5855 -13.2444 -13.6841 34.6017 TIMING: 4569000 CPU: 13276, 0.00292487/step Wall: 13276, 0.00292487/step, 0.350172 hours remaining, 207.765625 MB of memory in use. ENERGY: 4569000 748.2809 2060.2765 1966.5221 115.9095 -206315.9343 18018.6176 0.0000 0.0000 34301.9471 -149104.3805 299.5674 -183406.3276 -149008.9857 299.1143 44.5058 79.2475 558625.5619 12.7050 12.6554 PRESSURE: 4569200 29.4389 17.9763 -177.058 17.9771 89.1262 -53.3766 -177.058 -53.3756 95.0492 GPRESSURE: 4569200 26.4637 0.0950731 -153.095 -4.17576 170.049 -69.4277 -159.907 -58.7024 106.744 PRESSAVG: 4569200 46.0185 4.98902 -40.7091 4.98894 -43.5827 -45.0692 -40.7091 -45.0692 7.11426 GPRESSAVG: 4569200 44.8704 3.81029 -38.3819 7.02126 -43.7284 -45.5131 -39.4929 -44.7867 8.71958 TIMING: 4569200 CPU: 13276.5, 0.0028843/step Wall: 13276.5, 0.0028843/step, 0.345155 hours remaining, 207.765625 MB of memory in use. ENERGY: 4569200 733.6374 2102.3788 1967.9900 109.5641 -206247.2635 17895.5024 0.0000 0.0000 34394.7556 -149043.4353 300.3780 -183438.1909 -148940.8245 299.5453 71.2048 101.0854 559480.2624 3.1833 3.2872 PRESSURE: 4569400 -170.391 -120.96 -28.557 -120.961 -315.122 32.6402 -28.5575 32.6409 162.142 GPRESSURE: 4569400 -136.671 -270.197 -15.9477 -91.4965 -292.706 62.2438 -69.5311 49.7274 183.345 PRESSAVG: 4569400 -0.881483 2.81308 -35.9866 2.81307 7.98463 -69.0835 -35.9866 -69.0835 -23.8618 GPRESSAVG: 4569400 0.0712781 0.703067 -38.1964 2.18918 8.09518 -69.5668 -33.751 -68.7281 -25.0081 TIMING: 4569400 CPU: 13277.1, 0.00290883/step Wall: 13277.1, 0.00290883/step, 0.347929 hours remaining, 207.765625 MB of memory in use. ENERGY: 4569400 754.9038 2108.8102 1962.7590 114.2797 -205935.7211 17817.4210 0.0000 0.0000 34434.1261 -148743.4213 300.7218 -183177.5474 -148645.3213 299.1705 -107.7903 -82.0105 560996.8764 -5.5862 -5.6139 PRESSURE: 4569600 -139.058 55.8 -21.8256 55.8005 57.7784 -126.193 -21.8263 -126.194 -313.402 GPRESSURE: 4569600 -118.302 150.808 -1.5379 15.5532 53.2862 -64.3738 28.5444 -193.749 -221.207 PRESSAVG: 4569600 -37.4 -4.06721 33.3015 -4.06708 88.3084 -32.5409 33.3017 -32.5411 -40.7832 GPRESSAVG: 4569600 -36.9805 -2.54434 37.2037 -4.57296 86.9682 -31.854 31.1219 -34.2096 -40.0096 TIMING: 4569600 CPU: 13277.7, 0.00288548/step Wall: 13277.7, 0.00288548/step, 0.344975 hours remaining, 207.765625 MB of memory in use. ENERGY: 4569600 691.1723 2145.2429 1952.2590 119.0237 -205813.3026 17793.5789 0.0000 0.0000 34296.9257 -148815.1002 299.5236 -183112.0259 -148720.4308 300.0605 -131.5606 -95.4075 561033.7544 3.3751 3.3261 PRESSURE: 4569800 -18.0827 -237.727 -140.324 -237.727 -104.761 113.42 -140.324 113.42 -171.531 GPRESSURE: 4569800 26.7775 -268.131 -237.495 -181.985 -61.7976 56.4175 -135.242 149.064 -166.892 PRESSAVG: 4569800 -9.16234 16.0547 70.8152 16.0547 53.4699 -37.4038 70.8151 -37.4038 -1.23428 GPRESSAVG: 4569800 -9.86268 16.0728 66.0962 17.6746 54.5971 -37.3985 71.244 -36.2445 -1.8276 TIMING: 4569800 CPU: 13278.3, 0.00289596/step Wall: 13278.3, 0.00289596/step, 0.346067 hours remaining, 207.765625 MB of memory in use. ENERGY: 4569800 771.8678 2060.8070 1969.5515 126.1473 -205775.2369 17700.8418 0.0000 0.0000 34188.8686 -148957.1529 298.5799 -183146.0215 -148863.6539 299.5404 -98.1247 -67.3042 559009.9532 14.3578 14.3023 PRESSURE: 4570000 -77.4265 144.86 -102.17 144.862 57.0264 13.8815 -102.171 13.8799 33.0817 GPRESSURE: 4570000 -49.4502 109.438 -127.773 185.481 120.097 35.3608 -135.94 43.2639 38.609 PRESSAVG: 4570000 0.292872 0.904473 19.0413 0.904513 -6.16504 26.5725 19.0413 26.5725 7.41369 GPRESSAVG: 4570000 0.386318 0.592463 19.9305 1.30271 -6.23843 26.464 20.7499 27.2521 7.41575 TIMING: 4570000 CPU: 13278.9, 0.00288616/step Wall: 13278.9, 0.00288616/step, 0.344735 hours remaining, 207.765625 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: 4570000 745.3454 2134.9840 1970.9063 112.9088 -206445.1860 17980.6052 0.0000 0.0000 34394.4607 -149105.9756 300.3754 -183500.4363 -149021.0819 299.5275 4.2272 36.4186 557827.3922 0.5138 0.5212 PRESSURE: 4570200 -11.8525 147.462 -28.0763 147.463 29.2342 -197.998 -28.0753 -197.998 -51.6424 GPRESSURE: 4570200 48.0107 131.44 -48.976 92.7454 -3.30698 -161.078 -66.3091 -198.74 14.3305 PRESSAVG: 4570200 -48.2174 59.7036 -42.6522 59.7035 8.16536 -23.2522 -42.6521 -23.2521 33.7948 GPRESSAVG: 4570200 -47.2955 60.2312 -43.5995 58.7483 8.78986 -23.5477 -45.0444 -23.5801 32.6273 TIMING: 4570200 CPU: 13279.4, 0.00287816/step Wall: 13279.4, 0.00287816/step, 0.34362 hours remaining, 207.765625 MB of memory in use. ENERGY: 4570200 713.9665 2068.5668 1960.5801 112.0007 -206202.4227 17789.2628 0.0000 0.0000 34508.8175 -149049.2284 301.3741 -183558.0459 -148953.7225 300.0619 -11.4202 19.6781 557265.2640 -2.0857 -1.9594 PRESSURE: 4570400 -71.8181 -11.7089 25.2442 -11.709 94.7923 -144.264 25.2452 -144.265 -41.339 GPRESSURE: 4570400 -51.4334 -40.4127 -53.1071 79.9535 152.488 -109.68 32.2876 -233.61 -19.0789 PRESSAVG: 4570400 -63.6689 -7.10674 59.0515 -7.10676 21.7642 -78.521 59.0516 -78.521 63.67 GPRESSAVG: 4570400 -64.4265 -6.4641 59.9269 -6.77648 21.2337 -78.4593 59.1924 -77.6246 64.4534 TIMING: 4570400 CPU: 13280, 0.00287599/step Wall: 13280, 0.00287599/step, 0.343202 hours remaining, 207.765625 MB of memory in use. ENERGY: 4570400 743.8987 2092.1504 1968.1247 104.9617 -206371.0569 17909.5309 0.0000 0.0000 34337.3977 -149214.9928 299.8770 -183552.3904 -149115.5023 299.9217 -6.1216 27.3254 556984.3843 7.2551 7.0869 PRESSURE: 4570600 62.0115 145.684 3.44811 145.684 -3.78369 -67.0877 3.44823 -67.0898 245.906 GPRESSURE: 4570600 93.6878 180.812 50.7136 138.581 91.3932 -127.963 -0.382766 -169.289 217.961 PRESSAVG: 4570600 -48.7844 36.3292 32.0695 36.3292 -19.1079 -25.6885 32.0696 -25.6885 51.6548 GPRESSAVG: 4570600 -48.8779 38.3347 32.3405 35.5295 -19.5921 -27.6595 32.9411 -25.6556 51.6237 TIMING: 4570600 CPU: 13280.6, 0.00289491/step Wall: 13280.6, 0.00289492/step, 0.345299 hours remaining, 207.765625 MB of memory in use. ENERGY: 4570600 751.7381 2078.6310 1961.4884 119.0370 -206134.4509 17904.5835 0.0000 0.0000 34208.0724 -149110.9005 298.7476 -183318.9729 -149012.9484 298.8335 101.3778 134.3474 557604.2816 -5.4125 -5.6154 PRESSURE: 4570800 -77.8112 -125.509 144.963 -125.51 -140.485 164.922 144.963 164.923 -55.169 GPRESSURE: 4570800 -1.29635 -132.527 157.465 -186.907 -143.354 202.974 111.679 236.411 -25.6143 PRESSAVG: 4570800 -28.7899 -38.9416 31.9729 -38.9417 12.5117 23.0975 31.9729 23.0975 38.5923 GPRESSAVG: 4570800 -28.2627 -40.1863 32.6937 -40.3689 13.2583 24.3666 30.7021 22.393 37.5542 TIMING: 4570800 CPU: 13281.2, 0.00288477/step Wall: 13281.2, 0.00288477/step, 0.343929 hours remaining, 207.765625 MB of memory in use. ENERGY: 4570800 768.2316 2080.6308 1964.8064 117.6082 -206349.4048 17740.7783 0.0000 0.0000 34413.1305 -149264.2190 300.5384 -183677.3495 -149173.0136 299.1244 -91.1551 -56.7549 558191.9145 7.4380 7.5166 PRESSURE: 4571000 -13.2864 -215.909 -89.1358 -215.908 -178.699 190.264 -89.1356 190.264 19.2869 GPRESSURE: 4571000 11.6414 -249.383 -51.5807 -227.462 -130.222 177.049 -99.9562 19.378 49.8326 PRESSAVG: 4571000 -12.5061 -6.58589 11.9417 -6.58593 -47.5407 21.5069 11.9417 21.5069 -15.4538 GPRESSAVG: 4571000 -12.3041 -6.86258 11.982 -5.5464 -48.316 23.1594 12.0494 20.346 -15.6942 TIMING: 4571000 CPU: 13281.8, 0.00290492/step Wall: 13281.8, 0.00290492/step, 0.346169 hours remaining, 207.765625 MB of memory in use. ENERGY: 4571000 770.4254 2086.9413 1952.9769 103.1830 -206082.6568 17730.6411 0.0000 0.0000 34259.3704 -149179.1187 299.1956 -183438.4890 -149080.4728 299.0930 -57.5662 -22.9161 557140.4124 -25.1669 -25.4381 PRESSURE: 4571200 0.569714 -27.0562 2.22483 -27.0572 82.0741 27.8058 2.22475 27.8065 -31.2386 GPRESSURE: 4571200 41.4893 -82.4326 -28.5235 4.48707 76.081 -57.4833 18.2266 90.4871 41.3469 PRESSAVG: 4571200 29.8168 -7.38347 19.7851 -7.38348 -26.0245 27.4249 19.7851 27.425 28.7758 GPRESSAVG: 4571200 28.5246 -8.06085 18.3509 -7.46239 -25.8084 26.7145 20.3925 29.8484 29.8665 TIMING: 4571200 CPU: 13282.3, 0.0029007/step Wall: 13282.3, 0.0029007/step, 0.345506 hours remaining, 207.765625 MB of memory in use. ENERGY: 4571200 741.7657 2102.7817 1936.8673 118.8859 -205863.4632 17640.8882 0.0000 0.0000 34115.5538 -149206.7206 297.9396 -183322.2744 -149115.0595 298.5792 17.1350 52.9724 556932.4651 10.8560 10.8609 PRESSURE: 4571400 -21.9412 142.762 213.178 142.761 -80.694 72.1164 213.178 72.1176 291.552 GPRESSURE: 4571400 -1.65264 138.432 234.974 143.306 -5.11947 80.844 210.487 69.1874 296.839 PRESSAVG: 4571400 -27.4944 -9.02513 -33.0361 -9.02519 56.2692 -50.3074 -33.0362 -50.3073 0.644744 GPRESSAVG: 4571400 -26.9808 -10.5532 -32.5431 -8.15698 57.1896 -50.7543 -31.8821 -51.5787 -0.531425 TIMING: 4571400 CPU: 13282.9, 0.00290134/step Wall: 13282.9, 0.00290134/step, 0.34542 hours remaining, 207.765625 MB of memory in use. ENERGY: 4571400 718.5487 2133.4095 1950.2691 111.8284 -206574.5989 18065.1767 0.0000 0.0000 34329.1691 -149266.1975 299.8052 -183595.3666 -149167.0160 298.7785 62.9724 96.6890 557560.4748 9.8065 9.8925 PRESSURE: 4571600 -83.0723 141.151 136.171 141.151 -260.178 -82.5366 136.172 -82.537 -152.318 GPRESSURE: 4571600 -30.1056 251.41 153.229 137.131 -224.489 -56.3872 91.7678 -90.0906 -137.755 PRESSAVG: 4571600 -21.3754 -35.5251 -11.5317 -35.5251 1.12096 1.85121 -11.5316 1.85113 53.0542 GPRESSAVG: 4571600 -21.1498 -34.559 -14.0067 -35.9538 1.10189 2.65858 -11.2109 1.67724 53.1438 TIMING: 4571600 CPU: 13283.5, 0.00290406/step Wall: 13283.5, 0.00290406/step, 0.345583 hours remaining, 207.765625 MB of memory in use. ENERGY: 4571600 757.7777 2076.7611 1938.1057 119.1198 -205785.4025 17452.4615 0.0000 0.0000 34226.8221 -149214.3546 298.9114 -183441.1767 -149124.2437 298.7956 -165.1894 -130.7834 557367.3910 10.9332 11.0320 PRESSURE: 4571800 11.2932 134.319 63.3957 134.319 -305.324 15.4474 63.3976 15.4484 -17.4951 GPRESSURE: 4571800 -17.7136 150.651 29.0222 104.35 -230.993 57.1116 89.5073 -8.14275 39.2789 PRESSAVG: 4571800 -2.6835 17.6302 60.9003 17.6302 74.7145 -33.4572 60.9003 -33.4572 -47.9805 GPRESSAVG: 4571800 -2.24724 18.0726 62.6756 16.5211 74.7543 -34.8749 60.0812 -31.5176 -48.1804 TIMING: 4571800 CPU: 13284.1, 0.00291559/step Wall: 13284.1, 0.00291559/step, 0.346793 hours remaining, 207.765625 MB of memory in use. ENERGY: 4571800 774.9660 2075.0965 1948.0208 105.5727 -206330.5622 17742.0753 0.0000 0.0000 34288.3152 -149396.5157 299.4484 -183684.8309 -149301.8932 298.8931 -103.8421 -69.8093 557740.3452 8.0168 8.1089 PRESSURE: 4572000 101.135 -88.9051 80.9289 -88.9045 150.698 18.5579 80.9288 18.557 -105.38 GPRESSURE: 4572000 71.5668 -87.213 49.9052 -49.8967 227.573 58.911 81.8038 0.881748 -59.8764 PRESSAVG: 4572000 78.6192 80.5784 25.0094 80.5785 -47.5101 -51.601 25.0094 -51.6011 -30.2434 GPRESSAVG: 4572000 77.4431 80.4498 26.0075 81.2702 -48.2988 -52.2984 23.4083 -51.2405 -29.099 TIMING: 4572000 CPU: 13284.7, 0.00291664/step Wall: 13284.7, 0.00291664/step, 0.346757 hours remaining, 207.765625 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: 4572000 721.2512 2088.8680 1969.3950 115.2485 -206325.2971 17897.3524 0.0000 0.0000 34221.8288 -149311.3531 298.8677 -183533.1820 -149207.5506 298.5491 48.8180 79.7544 557182.9592 0.2886 0.0151 PRESSURE: 4572200 -49.7026 42.5661 -153.361 42.5653 107.332 48.7937 -153.36 48.7953 -94.78 GPRESSURE: 4572200 -0.946324 -15.884 -131.48 109.233 115.149 -11.0287 -125.583 6.61213 -54.9629 PRESSAVG: 4572200 -51.6755 20.3213 -9.58697 20.3213 -6.5433 -12.9185 -9.58698 -12.9185 60.4704 GPRESSAVG: 4572200 -50.2852 21.5858 -9.57942 20.4362 -7.29731 -11.4116 -8.13516 -14.1657 60.0283 TIMING: 4572200 CPU: 13285.2, 0.00290861/step Wall: 13285.2, 0.00290861/step, 0.34564 hours remaining, 207.765625 MB of memory in use. ENERGY: 4572200 739.1936 2142.5978 1933.6604 94.9147 -206106.3466 17713.3252 0.0000 0.0000 34050.3939 -149432.2609 297.3706 -183482.6548 -149340.4559 298.4025 -12.3835 19.7466 557010.9943 0.7505 0.8153 LDB: ============= START OF LOAD BALANCING ============== 13288.7 LDB: ============== END OF LOAD BALANCING =============== 13288.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13288.7 LDB: ============= START OF LOAD BALANCING ============== 13289 LDB: Largest compute 4848 load 0.028679 is 24.3% of average load 0.117799 LDB: Average compute 0.001732 is 1.5% of average load 0.117799 LDB: TIME 13289 LOAD: AVG 0.117799 MAX 0.182664 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.871 MB LDB: TIME 13289 LOAD: AVG 0.117799 MAX 0.182664 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.945 MB LDB: TIME 13289 LOAD: AVG 0.117799 MAX 0.182664 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.945 MB LDB: ============== END OF LOAD BALANCING =============== 13289 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13289 PRESSURE: 4572400 -81.3801 -10.2887 110.998 -10.2897 -25.1122 -127.933 110.999 -127.933 215.104 GPRESSURE: 4572400 -86.0415 -30.4782 74.6499 -54.2896 1.93762 -82.2688 166.525 -170.989 300.258 PRESSAVG: 4572400 -6.48649 -44.3372 52.5513 -44.3372 -14.437 15.3055 52.5513 15.3054 -12.5302 GPRESSAVG: 4572400 -7.42115 -45.4236 49.9667 -42.9983 -12.7765 16.6069 53.3071 13.3106 -13.0823 TIMING: 4572400 CPU: 13285.8, 0.00298148/step Wall: 13285.8, 0.00298148/step, 0.354134 hours remaining, 207.636719 MB of memory in use. ENERGY: 4572400 775.3341 2114.5551 1938.3154 113.2210 -206464.9133 18038.0976 0.0000 0.0000 34086.6356 -149398.7545 297.6871 -183485.3901 -149306.8515 297.6362 36.2038 72.0515 558580.3715 -11.1512 -11.0933 PRESSURE: 4572600 0.252467 -49.6148 7.07288 -49.6142 -32.551 24.7122 7.072 24.7123 79.9325 GPRESSURE: 4572600 79.5891 -10.017 -72.0553 -100.242 8.38974 -45.8213 55.1007 -13.0532 59.2728 PRESSAVG: 4572600 -44.7338 16.8791 10.7289 16.8791 32.9248 -23.7885 10.7288 -23.7884 -1.85171 GPRESSAVG: 4572600 -43.5912 17.4655 13.5585 17.1367 31.4942 -27.6895 10.5034 -21.3371 -1.31335 TIMING: 4572600 CPU: 13286.4, 0.00291839/step Wall: 13286.4, 0.00291839/step, 0.346478 hours remaining, 207.761719 MB of memory in use. ENERGY: 4572600 755.7534 2049.8635 1936.0909 98.4968 -206209.3430 17842.5079 0.0000 0.0000 34418.8444 -149107.7861 300.5883 -183526.6305 -149006.3935 299.5461 15.8780 49.0839 559364.5531 -4.5536 -4.4701 PRESSURE: 4572800 82.1613 5.3725 -208.195 5.37369 146.113 7.28372 -208.195 7.28429 -30.0933 GPRESSURE: 4572800 154.873 -54.7433 -277.939 44.2438 123.631 -12.6237 -120.08 22.5755 20.3925 PRESSAVG: 4572800 32.1596 59.9843 -39.236 59.9842 -19.6177 -15.3009 -39.236 -15.3011 -21.2781 GPRESSAVG: 4572800 32.1939 59.4661 -40.6857 60.3179 -19.6231 -12.5603 -39.2883 -16.9302 -21.0517 TIMING: 4572800 CPU: 13287, 0.00291233/step Wall: 13287, 0.00291233/step, 0.345596 hours remaining, 207.761719 MB of memory in use. ENERGY: 4572800 726.8655 2095.4459 1971.6695 107.4842 -206113.7941 17892.8518 0.0000 0.0000 34246.6285 -149072.8488 299.0843 -183319.4773 -148971.1450 299.5702 66.0603 99.6323 559248.9968 -2.9121 -2.8270 PRESSURE: 4573000 -324.242 -93.7135 -205.483 -93.7125 -160.217 -169.503 -205.483 -169.504 -41.0272 GPRESSURE: 4573000 -277.742 -83.6156 -203.487 -16.8175 -153.773 -218.657 -212.997 -190.364 5.73559 PRESSAVG: 4573000 92.1406 -10.8656 -51.2094 -10.8656 -53.1161 5.84237 -51.2094 5.84226 -24.5209 GPRESSAVG: 4573000 91.5673 -9.39308 -53.0832 -12.4007 -53.7823 3.85385 -51.4218 8.03275 -23.2274 TIMING: 4573000 CPU: 13287.6, 0.00289763/step Wall: 13287.6, 0.00289763/step, 0.343691 hours remaining, 207.761719 MB of memory in use. ENERGY: 4573000 756.6360 2020.4621 1936.9792 106.0868 -205873.6150 17677.1892 0.0000 0.0000 34136.6615 -149239.6002 298.1240 -183376.2617 -149144.7289 299.2083 -175.1622 -141.9265 561139.4356 4.8346 4.8525 PRESSURE: 4573200 66.4021 32.4103 18.9201 32.4086 26.8184 -91.7778 18.9202 -91.7772 218.978 GPRESSURE: 4573200 114.698 27.4935 90.1501 34.6348 40.842 -41.393 -31.1603 -59.76 256.573 PRESSAVG: 4573200 4.12506 -17.2508 -14.5934 -17.2508 -57.3992 28.6857 -14.5932 28.6857 65.5571 GPRESSAVG: 4573200 4.33502 -16.4652 -11.8026 -17.4727 -56.2306 29.8237 -14.9031 27.4187 64.1039 TIMING: 4573200 CPU: 13288.2, 0.00290086/step Wall: 13288.2, 0.00290086/step, 0.343913 hours remaining, 207.761719 MB of memory in use. ENERGY: 4573200 708.2555 2091.6809 1951.3048 110.6647 -206315.6146 17926.5501 0.0000 0.0000 34284.2962 -149242.8624 299.4133 -183527.1586 -149143.3626 299.1664 104.0661 137.3709 556681.9449 4.0943 4.0694 PRESSURE: 4573400 -110.63 -105.384 -133.085 -105.384 -7.24155 -164.898 -133.086 -164.897 -106.933 GPRESSURE: 4573400 -59.792 -153.277 -60.8516 -57.5596 11.8052 -166.151 -205.803 -214.098 -97.5014 PRESSAVG: 4573400 30.7822 -9.80597 13.1977 -9.80603 9.51665 5.0916 13.1978 5.09145 -10.6003 GPRESSAVG: 4573400 30.3706 -13.4176 12.6366 -10.2569 9.02821 7.93608 12.6065 4.14086 -9.38404 TIMING: 4573400 CPU: 13288.7, 0.00286957/step Wall: 13288.7, 0.00286957/step, 0.340044 hours remaining, 207.761719 MB of memory in use. ENERGY: 4573400 709.9948 2106.4302 1965.3660 119.2177 -205957.9302 17641.8888 0.0000 0.0000 34284.4021 -149130.6306 299.4142 -183415.0327 -149039.3517 298.8779 -74.9349 -48.4960 558569.1281 9.8995 10.0049 PRESSURE: 4573600 126.62 3.75602 -44.8892 3.75474 -67.2173 34.0293 -44.8895 34.0294 -91.3787 GPRESSURE: 4573600 93.1407 -1.02718 -22.7047 56.144 16.1575 2.03261 -20.4979 79.8541 -38.6167 PRESSAVG: 4573600 39.4575 13.8427 -28.9444 13.8426 -16.2416 -60.8076 -28.9444 -60.8075 -20.4383 GPRESSAVG: 4573600 40.0449 15.765 -29.3847 14.0243 -16.1752 -63.1752 -27.8663 -58.7773 -20.9335 TIMING: 4573600 CPU: 13289.3, 0.00291429/step Wall: 13289.3, 0.00291429/step, 0.345182 hours remaining, 207.761719 MB of memory in use. ENERGY: 4573600 756.1686 2083.3550 1964.8553 100.4218 -206182.2844 17961.5071 0.0000 0.0000 34122.0683 -149193.9083 297.9965 -183315.9765 -149112.6942 299.2190 -10.6588 23.5605 557364.8433 0.9259 0.9787 PRESSURE: 4573800 181.174 -218.767 49.7501 -218.767 -189.756 -5.46367 49.7517 -5.46488 138.374 GPRESSURE: 4573800 219.552 -187.824 59.9401 -190.392 -215.966 -48.0399 26.3162 31.1588 214.797 PRESSAVG: 4573800 65.6609 17.878 48.1164 17.878 -6.19769 10.4319 48.1163 10.4318 -61.1461 GPRESSAVG: 4573800 64.8021 17.2762 47.2531 17.2938 -5.47651 11.3309 46.8701 8.60992 -61.319 TIMING: 4573800 CPU: 13289.9, 0.002929/step Wall: 13289.9, 0.002929/step, 0.346761 hours remaining, 207.761719 MB of memory in use. ENERGY: 4573800 735.2736 2081.8657 1939.6539 113.2544 -206211.9769 17788.0254 0.0000 0.0000 34098.5037 -149455.4003 297.7907 -183553.9039 -149362.5259 299.0299 43.2636 72.7946 557454.9312 -0.5610 -0.6645 PRESSURE: 4574000 -29.6071 149.115 214.303 149.116 44.3936 -126.244 214.303 -126.243 -161.087 GPRESSURE: 4574000 11.3741 122.521 206.243 190.545 81.2162 -103.33 257.033 -130.787 -160.175 PRESSAVG: 4574000 45.976 31.3081 -21.3349 31.3081 19.7711 -14.5915 -21.3349 -14.5916 -53.2689 GPRESSAVG: 4574000 46.7607 30.6845 -22.0921 30.8094 20.5757 -14.8682 -19.1744 -15.4437 -53.4861 TIMING: 4574000 CPU: 13290.5, 0.00293595/step Wall: 13290.5, 0.00293595/step, 0.347421 hours remaining, 207.761719 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: 4574000 688.5235 2111.5713 1978.8668 113.2476 -206298.4020 17639.3355 0.0000 0.0000 34043.5991 -149723.2583 297.3112 -183766.8574 -149624.5998 298.2119 -48.7669 -22.5281 557927.4102 4.1594 4.6168 PRESSURE: 4574200 371.415 -63.2972 121.002 -63.2968 53.7727 -54.727 121.004 -54.7273 -87.8057 GPRESSURE: 4574200 387.187 -99.3918 119.789 24.0039 89.8492 -60.8688 167.504 -31.4008 -40.0044 PRESSAVG: 4574200 -15.9728 20.4472 35.5357 20.4472 47.6769 -27.1662 35.5357 -27.166 -38.3982 GPRESSAVG: 4574200 -15.3649 19.9815 36.4095 21.3362 46.9432 -27.0994 33.7401 -27.4639 -38.3431 TIMING: 4574200 CPU: 13291.1, 0.00292892/step Wall: 13291.1, 0.00292892/step, 0.346426 hours remaining, 207.832031 MB of memory in use. ENERGY: 4574200 693.2411 2111.8174 1966.8176 107.5928 -206545.2383 18122.4880 0.0000 0.0000 34063.9736 -149479.3078 297.4892 -183543.2814 -149375.2261 297.9063 112.4606 145.6773 558910.1587 -2.2314 -2.2549 PRESSURE: 4574400 31.9572 -71.1992 214.844 -71.1998 -57.5411 49.8282 214.844 49.8277 -69.3485 GPRESSURE: 4574400 99.6676 -46.8931 211.922 -153.803 -61.7217 40.9591 219.705 52.2174 -42.5889 PRESSAVG: 4574400 -4.59939 -22.4972 27.1783 -22.4971 12.5556 -6.92747 27.1783 -6.92744 -19.2899 GPRESSAVG: 4574400 -5.82489 -21.1053 26.2331 -23.7669 12.7297 -6.3062 27.7983 -5.73455 -18.0834 TIMING: 4574400 CPU: 13291.7, 0.00290925/step Wall: 13291.7, 0.00290925/step, 0.343938 hours remaining, 207.832031 MB of memory in use. ENERGY: 4574400 717.1996 2125.3190 1966.2257 107.6286 -206410.8232 17881.8892 0.0000 0.0000 34255.9718 -149356.5891 299.1659 -183612.5609 -149258.5692 299.1786 -31.6441 -1.5477 559069.4411 -3.7779 -3.7262 PRESSURE: 4574600 -205.062 -26.4274 7.40944 -26.4277 -68.3923 56.3344 7.40988 56.334 -85.6832 GPRESSURE: 4574600 -182.645 -30.7605 36.9257 -106.628 -30.9265 71.1538 -7.03577 51.7901 -33.6229 PRESSAVG: 4574600 3.34559 -30.5584 43.1222 -30.5584 19.7525 14.0218 43.1221 14.0217 -8.81827 GPRESSAVG: 4574600 3.78577 -30.5366 46.1651 -29.7272 20.0412 14.9141 42.2716 13.4675 -9.61139 TIMING: 4574600 CPU: 13292.2, 0.00290458/step Wall: 13292.2, 0.00290458/step, 0.343225 hours remaining, 207.832031 MB of memory in use. ENERGY: 4574600 744.5952 2105.4484 1997.1216 108.6054 -206206.9545 17772.9722 0.0000 0.0000 34261.1004 -149217.1113 299.2107 -183478.2117 -149113.4659 298.5445 -119.7127 -82.3981 558641.0408 4.7600 4.7385 PRESSURE: 4574800 81.5359 21.119 160.722 21.1184 114.468 113.439 160.723 113.44 143.503 GPRESSURE: 4574800 132.02 8.42455 155.736 44.3257 145.614 87.6762 163.142 128.945 174.687 PRESSAVG: 4574800 -16.8015 -16.4766 5.17487 -16.4766 12.1685 15.0488 5.17483 15.0486 12.2161 GPRESSAVG: 4574800 -16.688 -16.6507 2.40394 -17.3971 11.5515 14.5914 8.07817 14.0461 12.708 TIMING: 4574800 CPU: 13292.8, 0.00291153/step Wall: 13292.8, 0.00291153/step, 0.343884 hours remaining, 207.832031 MB of memory in use. ENERGY: 4574800 765.8819 2142.1482 1963.7913 108.6238 -206485.8314 17972.1230 0.0000 0.0000 34434.6371 -149098.6261 300.7263 -183533.2632 -149003.9256 300.3255 113.1689 150.7738 554877.8830 2.5277 2.5238 PRESSURE: 4575000 3.46344 164.681 -27.1574 164.68 -54.6576 -60.7008 -27.1571 -60.6986 -40.457 GPRESSURE: 4575000 43.7416 175.837 -96.4927 92.9237 -87.0655 -15.2483 -14.3519 -47.1264 53.7146 PRESSAVG: 4575000 -30.4371 29.5159 -20.3513 29.516 34.3279 54.4495 -20.3513 54.4496 0.287649 GPRESSAVG: 4575000 -30.851 29.7474 -17.4391 29.9113 34.2581 54.0424 -23.6177 54.655 0.652578 TIMING: 4575000 CPU: 13293.4, 0.00288989/step Wall: 13293.4, 0.00288989/step, 0.341167 hours remaining, 207.832031 MB of memory in use. ENERGY: 4575000 710.3527 2099.8205 1947.7184 123.7829 -205812.2537 17583.6003 0.0000 0.0000 34339.2779 -149007.7010 299.8935 -183346.9789 -148907.2776 299.6782 -30.5504 3.4636 559228.7135 1.3928 1.3532 PRESSURE: 4575200 -61.8392 -50.3337 -104.17 -50.3339 16.6633 -77.5268 -104.172 -77.5243 104.227 GPRESSURE: 4575200 -8.17305 -34.6304 16.4954 -120.8 14.825 -43.3559 -171.03 -105.928 151.39 PRESSAVG: 4575200 -19.5726 -33.6367 -5.61861 -33.6368 53.0819 -13.6407 -5.61867 -13.6406 -14.2518 GPRESSAVG: 4575200 -18.2824 -34.3068 -5.33758 -33.3706 53.4399 -12.073 -4.70488 -11.8945 -15.1799 TIMING: 4575200 CPU: 13294, 0.00289771/step Wall: 13294, 0.00289771/step, 0.341929 hours remaining, 207.832031 MB of memory in use. ENERGY: 4575200 748.2220 2109.0907 1936.5924 114.1504 -206142.2837 17754.0435 0.0000 0.0000 34428.5276 -149051.6572 300.6729 -183480.1847 -148955.0777 299.5125 19.6838 52.6807 557309.4705 6.4192 6.6592 PRESSURE: 4575400 43.3601 81.0588 -30.4202 81.0578 -59.9544 157.899 -30.4198 157.9 9.69947 GPRESSURE: 4575400 82.9433 47.1495 -6.87039 43.8429 16.6572 127.671 32.4873 143.67 -18.4406 PRESSAVG: 4575400 -100.643 20.5209 -23.2118 20.5208 54.5401 -41.3034 -23.2121 -41.3034 4.81843 GPRESSAVG: 4575400 -100.675 20.5587 -25.1048 19.8323 55.9194 -43.3777 -23.0161 -40.0848 4.33063 TIMING: 4575400 CPU: 13294.6, 0.00286834/step Wall: 13294.6, 0.00286834/step, 0.338305 hours remaining, 207.832031 MB of memory in use. ENERGY: 4575400 734.5306 2043.4579 1986.1163 107.5670 -206024.7681 17864.7226 0.0000 0.0000 34385.3953 -148902.9783 300.2962 -183288.3737 -148816.6111 299.8387 -2.2983 27.0533 557961.7017 -13.7615 -13.4750 PRESSURE: 4575600 58.5841 17.0703 56.5823 17.0698 -364.914 74.6802 56.5834 74.6789 -92.2888 GPRESSURE: 4575600 81.9511 99.9858 -30.0628 -32.4342 -348.157 93.8522 188.398 -14.4209 -38.8713 PRESSAVG: 4575600 76.0372 22.7909 29.6636 22.7909 21.8055 -85.1912 29.6635 -85.1911 -66.862 GPRESSAVG: 4575600 74.332 25.25 29.072 22.3241 21.2662 -85.3951 30.8308 -86.3117 -64.9326 TIMING: 4575600 CPU: 13295.1, 0.00288949/step Wall: 13295.1, 0.00288949/step, 0.340639 hours remaining, 207.832031 MB of memory in use. ENERGY: 4575600 744.9902 2111.8417 1975.2589 119.1645 -205866.1213 17590.6315 0.0000 0.0000 34315.2582 -149008.9764 299.6837 -183324.2346 -148918.4544 300.0847 -132.8730 -101.6925 557390.7119 10.3269 10.2218 PRESSURE: 4575800 19.1913 -90.6208 52.8645 -90.6205 -75.206 97.4418 52.8646 97.4409 70.0398 GPRESSURE: 4575800 89.0477 -52.5859 29.127 -129.834 5.98807 52.5281 53.6873 75.6553 15.4926 PRESSAVG: 4575800 31.6074 35.5592 -16.7797 35.5592 -92.044 -21.4162 -16.7797 -21.4163 56.1999 GPRESSAVG: 4575800 33.3063 35.3252 -16.4545 35.3965 -92.2915 -21.2638 -17.863 -21.0467 54.7197 TIMING: 4575800 CPU: 13295.7, 0.00291446/step Wall: 13295.7, 0.00291446/step, 0.343421 hours remaining, 207.832031 MB of memory in use. ENERGY: 4575800 752.7345 2081.5929 1960.0998 114.0486 -205959.7805 17651.4816 0.0000 0.0000 34153.1615 -149246.6616 298.2681 -183399.8231 -149150.0129 299.7526 4.6750 36.8428 556833.1515 -1.4122 -1.4218 PRESSURE: 4576000 -174.293 78.1537 216.21 78.1527 -247.956 -131.669 216.211 -131.669 24.8471 GPRESSURE: 4576000 -177.675 152.582 171.408 69.3303 -191.205 -132.018 156.619 -85.2286 66.0384 PRESSAVG: 4576000 -2.24073 15.9507 41.2377 15.9506 -57.7315 54.7441 41.2376 54.7441 7.54409 GPRESSAVG: 4576000 -2.81763 14.2432 41.8393 17.8981 -58.2755 53.9595 39.8652 53.5931 8.8232 TIMING: 4576000 CPU: 13296.3, 0.00289753/step Wall: 13296.3, 0.00289753/step, 0.341265 hours remaining, 207.832031 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: 4576000 768.8239 2053.5870 1937.3853 118.2242 -205997.1237 17754.3712 0.0000 0.0000 34325.2710 -149039.4610 299.7711 -183364.7320 -148941.7845 299.7832 -132.4673 -100.9473 558433.9233 -17.4760 -17.4233 PRESSURE: 4576200 -194.201 0.3624 57.5318 0.363469 -91.181 22.5926 57.5311 22.592 -73.0973 GPRESSURE: 4576200 -173.752 29.816 -0.423839 -15.2781 -82.4041 2.8564 150.403 -13.7812 -9.93252 PRESSAVG: 4576200 34.9344 -5.3425 39.0208 -5.34258 6.07325 -39.6863 39.0208 -39.6864 -51.0338 GPRESSAVG: 4576200 35.9396 -1.98878 38.9057 -9.09913 6.31336 -39.601 40.7759 -38.0263 -52.1228 TIMING: 4576200 CPU: 13296.9, 0.00291861/step Wall: 13296.9, 0.00291861/step, 0.343585 hours remaining, 207.832031 MB of memory in use. ENERGY: 4576200 769.6700 2060.4080 1977.7112 118.3745 -205579.0238 17539.4854 0.0000 0.0000 34243.6975 -148869.6771 299.0587 -183113.3746 -148778.4329 300.3453 -119.4930 -88.6962 558185.2896 -3.3420 -3.2899 LDB: ============= START OF LOAD BALANCING ============== 13300.3 LDB: ============== END OF LOAD BALANCING =============== 13300.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13300.3 LDB: ============= START OF LOAD BALANCING ============== 13300.6 LDB: Largest compute 4848 load 0.028923 is 24.5% of average load 0.117871 LDB: Average compute 0.001733 is 1.5% of average load 0.117871 LDB: TIME 13300.6 LOAD: AVG 0.117871 MAX 0.181475 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.156 MB LDB: TIME 13300.6 LOAD: AVG 0.117871 MAX 0.181475 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: TIME 13300.6 LOAD: AVG 0.117871 MAX 0.181475 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.227 MB LDB: ============== END OF LOAD BALANCING =============== 13300.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13300.6 PRESSURE: 4576400 -23.2966 -163.077 -85.1334 -163.076 -139.707 43.4424 -85.1339 43.4425 -267.248 GPRESSURE: 4576400 -32.7623 -163.238 -91.7396 -91.1159 -57.6925 22.4434 -6.13022 61.4947 -236.462 PRESSAVG: 4576400 9.5622 30.5916 3.91984 30.5916 74.0423 -21.179 3.91985 -21.1791 -57.5959 GPRESSAVG: 4576400 8.42003 29.0431 3.74332 31.799 74.8556 -20.0998 4.20021 -22.2709 -56.7554 TIMING: 4576400 CPU: 13297.5, 0.00295857/step Wall: 13297.5, 0.00295857/step, 0.348125 hours remaining, 206.863281 MB of memory in use. ENERGY: 4576400 753.8019 2102.7758 1957.5076 106.1585 -205759.3298 17490.0261 0.0000 0.0000 34400.9621 -148948.0977 300.4322 -183349.0598 -148848.0809 300.1822 -143.4172 -108.9721 558452.7440 8.6695 8.8401 PRESSURE: 4576600 9.2716 82.7559 58.1309 82.7554 -89.0583 -28.2625 58.131 -28.2628 -189.025 GPRESSURE: 4576600 43.335 41.3564 52.5192 101.457 -55.1072 -7.33456 -1.55347 -8.30908 -155.665 PRESSAVG: 4576600 10.5532 -36.5548 -81.1936 -36.5547 28.6061 -23.4092 -81.1936 -23.4093 -51.206 GPRESSAVG: 4576600 11.6015 -38.0837 -81.9541 -35.5019 28.2614 -23.9003 -81.6069 -24.1456 -51.8533 TIMING: 4576600 CPU: 13298.1, 0.00290434/step Wall: 13298.1, 0.00290434/step, 0.341583 hours remaining, 207.066406 MB of memory in use. ENERGY: 4576600 764.5772 2146.8548 1958.6655 116.4755 -205633.7656 17452.8849 0.0000 0.0000 34403.2444 -148791.0633 300.4521 -183194.3077 -148700.3762 299.1251 -89.6040 -55.8123 558363.9702 -4.0155 -3.9968 PRESSURE: 4576800 -450.799 138.084 22.979 138.084 223.46 156.15 22.9772 156.15 172.172 GPRESSURE: 4576800 -410.973 98.3809 16.0777 149.28 268.853 75.7593 90.8508 186.691 177.389 PRESSAVG: 4576800 -38.2311 17.9564 -13.9893 17.9565 138.661 19.5456 -13.9893 19.5455 -91.8935 GPRESSAVG: 4576800 -38.0768 17.3291 -14.6714 17.8818 138.041 19.1135 -13.6224 18.3135 -91.7255 TIMING: 4576800 CPU: 13298.6, 0.00289485/step Wall: 13298.6, 0.00289485/step, 0.340306 hours remaining, 207.066406 MB of memory in use. ENERGY: 4576800 757.6670 2121.9083 1969.5238 105.4116 -205847.2145 17798.1963 0.0000 0.0000 34156.7463 -148937.7611 298.2994 -183094.5075 -148846.4167 300.5479 -18.3889 11.7565 557250.7706 2.8456 2.7461 PRESSURE: 4577000 -143.803 -62.9197 -8.5857 -62.92 197.504 -45.7078 -8.58432 -45.7085 -151.8 GPRESSURE: 4577000 -141.274 -25.3789 12.9084 -128.542 228.12 -95.1193 -90.0975 -71.8446 -88.8557 PRESSAVG: 4577000 -34.0365 -49.5355 3.82166 -49.5355 21.6332 -8.8464 3.82169 -8.84636 17.3631 GPRESSAVG: 4577000 -34.4238 -50.0328 5.75767 -49.0636 21.3216 -10.2988 2.49209 -5.40403 18.0712 TIMING: 4577000 CPU: 13299.2, 0.00288406/step Wall: 13299.2, 0.00288405/step, 0.338876 hours remaining, 207.066406 MB of memory in use. ENERGY: 4577000 714.9864 2112.6751 1978.4757 108.0199 -206330.8141 17976.1977 0.0000 0.0000 34442.7779 -148997.6814 300.7973 -183440.4594 -148890.5474 299.2237 -32.7000 -0.6701 559677.9654 1.6533 1.6563 PRESSURE: 4577200 72.5636 64.3377 67.7823 64.3387 -81.1612 17.4235 67.7851 17.4225 -6.02922 GPRESSURE: 4577200 143.555 -25.9767 50.0107 -12.1329 -26.2293 37.7225 27.9496 16.0053 -28.9019 PRESSAVG: 4577200 21.548 -5.81572 36.6155 -5.81572 25.0345 10.1493 36.6155 10.1494 -45.5174 GPRESSAVG: 4577200 21.02 -4.88077 36.8071 -8.12796 26.4459 12.4111 37.2857 9.7034 -46.5985 TIMING: 4577200 CPU: 13299.8, 0.00287928/step Wall: 13299.8, 0.00287928/step, 0.338155 hours remaining, 207.066406 MB of memory in use. ENERGY: 4577200 744.8294 2094.3793 1968.1951 107.5020 -205949.5897 17672.8696 0.0000 0.0000 34469.1125 -148892.7018 301.0273 -183361.8143 -148792.2664 300.3949 -4.8756 29.4747 555952.4285 0.3550 0.2891 PRESSURE: 4577400 82.5012 -3.91364 -65.3291 -3.91379 -57.434 87.9241 -65.3304 87.9241 69.4558 GPRESSURE: 4577400 109.238 -15.926 -16.6378 -37.3441 -12.6724 178.698 -99.8147 100.059 81.4445 PRESSAVG: 4577400 40.5869 -23.2775 -29.1007 -23.2776 -23.9156 3.32405 -29.1007 3.32409 -13.321 GPRESSAVG: 4577400 40.56 -23.3746 -29.1858 -22.44 -24.1166 0.478015 -28.771 2.75886 -13.4861 TIMING: 4577400 CPU: 13300.4, 0.00288256/step Wall: 13300.4, 0.00288256/step, 0.338381 hours remaining, 207.066406 MB of memory in use. ENERGY: 4577400 760.5101 2046.4798 1966.0646 103.6702 -205954.7242 17841.5002 0.0000 0.0000 34222.6668 -149013.8325 298.8751 -183236.4993 -148915.4946 299.7589 31.5076 59.3366 557313.1482 1.1168 0.9857 PRESSURE: 4577600 13.0938 -186.379 41.79 -186.38 -98.468 -65.1434 41.7912 -65.1425 -172.555 GPRESSURE: 4577600 8.92829 -261.791 30.0491 -226.045 -17.8061 -59.005 97.7182 -5.07639 -150.426 PRESSAVG: 4577600 -11.5681 -7.27594 41.6533 -7.27599 8.36427 10.1647 41.6533 10.1647 4.9266 GPRESSAVG: 4577600 -12.3624 -5.99463 40.5754 -7.44002 8.00405 12.0967 42.2141 10.6377 5.79462 TIMING: 4577600 CPU: 13300.9, 0.00289257/step Wall: 13300.9, 0.00289257/step, 0.339395 hours remaining, 207.066406 MB of memory in use. ENERGY: 4577600 760.2907 2133.2174 1928.9768 122.7053 -206016.8661 17647.3775 0.0000 0.0000 34407.6496 -149016.6489 300.4906 -183424.2985 -148918.1080 300.1349 -85.9766 -53.1012 557319.6742 0.5743 0.4787 PRESSURE: 4577800 -114.846 42.158 46.9613 42.1577 129.182 -3.23349 46.9617 -3.23371 105.355 GPRESSURE: 4577800 -86.463 -5.2316 59.3589 155.435 193.696 -38.7542 71.3969 24.6775 109.423 PRESSAVG: 4577800 -75.0291 8.31183 -4.72436 8.31184 89.8445 36.0081 -4.72427 36.0081 7.12025 GPRESSAVG: 4577800 -74.155 6.05595 -1.91743 7.96041 89.6138 35.1581 -5.75706 36.0826 6.08303 TIMING: 4577800 CPU: 13301.5, 0.00288242/step Wall: 13301.5, 0.00288242/step, 0.338043 hours remaining, 207.066406 MB of memory in use. ENERGY: 4577800 779.6888 2045.3382 1971.5435 134.6472 -206537.2685 18107.1443 0.0000 0.0000 34396.0814 -149102.8250 300.3895 -183498.9064 -149005.9604 300.0940 39.8969 72.2185 558590.2556 7.3119 7.1806 PRESSURE: 4578000 124.923 -54.9278 3.39525 -54.9292 -115.172 -156.917 3.395 -156.919 243.323 GPRESSURE: 4578000 191.46 42.2516 -99.6873 -46.6378 -110.257 -173.937 -16.1211 -149.197 268.937 PRESSAVG: 4578000 12.88 46.8299 19.9929 46.8298 20.6662 20.1984 19.993 20.1983 -48.1671 GPRESSAVG: 4578000 13.9029 46.1735 18.8201 47.8955 21.0021 20.0656 20.1503 20.1752 -48.9621 TIMING: 4578000 CPU: 13302.1, 0.00287534/step Wall: 13302.1, 0.00287534/step, 0.337054 hours remaining, 207.066406 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: 4578000 733.2351 2051.7998 2014.3103 115.0204 -206362.5274 17933.3227 0.0000 0.0000 34330.2453 -149184.5939 299.8146 -183514.8392 -149091.2508 299.5348 84.3579 116.7135 556689.5362 -4.8736 -4.6857 PRESSURE: 4578200 -297.136 200.43 196.379 200.431 131.736 -126.472 196.379 -126.473 -351.276 GPRESSURE: 4578200 -277.918 164.479 182.635 161.148 121.853 -227.733 201.255 -105.522 -269.837 PRESSAVG: 4578200 -27.1144 45.0608 11.6907 45.0608 -10.2321 -21.6295 11.6909 -21.6293 3.89029 GPRESSAVG: 4578200 -28.2108 45.8673 12.0459 44.0274 -11.7087 -19.6464 12.4081 -23.2483 6.03773 TIMING: 4578200 CPU: 13302.7, 0.00287967/step Wall: 13302.7, 0.00287967/step, 0.337401 hours remaining, 207.066406 MB of memory in use. ENERGY: 4578200 726.9134 2122.8917 1941.3390 108.6207 -205960.9264 17599.7810 0.0000 0.0000 34173.0750 -149288.3055 298.4420 -183461.3805 -149194.7884 299.2077 -172.2256 -141.9674 557654.1464 -11.1521 -11.2939 PRESSURE: 4578400 68.8466 52.5341 44.2555 52.5328 -41.776 -92.1634 44.2549 -92.1637 -59.5385 GPRESSURE: 4578400 85.3485 61.1679 74.7681 -2.60605 -57.7632 -77.9134 61.9765 -58.9434 36.8394 PRESSAVG: 4578400 44.0502 90.9688 16.1236 90.9688 30.5736 -57.2763 16.1235 -57.2762 -50.5601 GPRESSAVG: 4578400 45.3922 91.4179 15.6585 92.165 31.1684 -58.536 15.9965 -56.2188 -51.7163 TIMING: 4578400 CPU: 13303.2, 0.00288126/step Wall: 13303.2, 0.00288126/step, 0.337428 hours remaining, 207.066406 MB of memory in use. ENERGY: 4578400 735.2717 2103.2620 1955.2583 114.0234 -206163.1455 17690.8064 0.0000 0.0000 34180.7418 -149383.7818 298.5089 -183564.5236 -149279.2111 299.6817 -10.8226 21.4749 555962.3271 8.0212 8.2814 PRESSURE: 4578600 42.286 77.2103 98.8372 77.2105 -27.372 8.00804 98.8367 8.00696 -130.816 GPRESSURE: 4578600 84.1128 191.426 113.914 82.8311 78.6558 -6.70715 105.472 21.4508 -177.188 PRESSAVG: 4578600 -12.1816 58.9921 17.0598 58.992 -0.27566 -45.4653 17.0598 -45.4652 23.4323 GPRESSAVG: 4578600 -13.0068 58.4211 16.9559 58.0473 -0.255917 -45.1856 16.1958 -45.0983 24.6964 TIMING: 4578600 CPU: 13303.8, 0.00290206/step Wall: 13303.8, 0.00290206/step, 0.339703 hours remaining, 207.066406 MB of memory in use. ENERGY: 4578600 708.7190 2035.9095 1944.6862 114.7895 -206341.9695 17671.5905 0.0000 0.0000 34573.3525 -149292.9222 301.9377 -183866.2748 -149192.8166 298.5543 -38.6342 -4.8064 555524.4257 3.6583 3.8112 PRESSURE: 4578800 -106.515 -25.0829 -83.4984 -25.0823 139.145 38.9178 -83.4977 38.9181 -300.486 GPRESSURE: 4578800 -28.376 64.7445 -131.297 23.1875 149.813 59.2498 -4.15951 61.9556 -288.379 PRESSAVG: 4578800 -39.2625 58.0054 24.0857 58.0055 66.141 7.7386 24.0857 7.73849 -0.163828 GPRESSAVG: 4578800 -38.8135 58.3071 23.5525 60.0599 64.5015 7.31608 22.8438 8.69082 0.886904 TIMING: 4578800 CPU: 13304.4, 0.00288277/step Wall: 13304.4, 0.00288277/step, 0.337284 hours remaining, 207.066406 MB of memory in use. ENERGY: 4578800 761.0192 2067.7591 1946.2203 115.4371 -206086.8338 17670.9044 0.0000 0.0000 34360.4458 -149165.0479 300.0783 -183525.4937 -149072.5922 298.9612 -89.2852 -55.6475 556330.3077 8.9049 8.8583 PRESSURE: 4579000 -321.416 0.349228 81.7235 0.348566 210.054 -93.9487 81.7233 -93.9477 13.2555 GPRESSURE: 4579000 -277.148 -28.7209 125.722 -45.3706 214.216 -131.326 119.446 -114.476 52.1386 PRESSAVG: 4579000 -70.7369 25.298 -6.70954 25.2979 116.399 2.79293 -6.70949 2.79288 -20.3338 GPRESSAVG: 4579000 -70.1302 23.9165 -4.76403 23.6884 118.292 5.13533 -6.43499 1.88433 -23.0907 TIMING: 4579000 CPU: 13305, 0.0028832/step Wall: 13305, 0.0028832/step, 0.337175 hours remaining, 207.066406 MB of memory in use. ENERGY: 4579000 739.4347 2081.3242 1965.8231 110.5497 -206648.5274 17934.3200 0.0000 0.0000 34425.9567 -149391.1188 300.6504 -183817.0755 -149301.2986 299.2824 -32.7019 -3.5976 556806.8309 8.4428 8.3570 PRESSURE: 4579200 -209.871 17.1494 141.533 17.1493 8.31674 4.13773 141.533 4.13678 69.5698 GPRESSURE: 4579200 -231.226 10.8412 97.6789 -6.38353 87.9696 55.1093 188.12 2.39164 99.2207 PRESSAVG: 4579200 -48.0883 -7.5456 15.2367 -7.54563 54.9917 -30.0936 15.2367 -30.0935 26.8403 GPRESSAVG: 4579200 -49.2984 -8.7038 13.8431 -6.10906 55.3374 -31.3002 17.2085 -29.7067 27.9064 TIMING: 4579200 CPU: 13305.6, 0.00288317/step Wall: 13305.6, 0.00288317/step, 0.337011 hours remaining, 207.066406 MB of memory in use. ENERGY: 4579200 777.7259 2104.2640 1933.4342 106.6830 -206489.4146 17889.6710 0.0000 0.0000 34376.2409 -149301.3956 300.2163 -183677.6365 -149205.7319 298.8355 -43.9950 -14.6787 558467.7609 11.2479 11.3151 PRESSURE: 4579400 -136.307 1.10757 19.3163 1.10758 23.2765 38.4937 19.3166 38.493 -68.9201 GPRESSURE: 4579400 -124.07 37.7695 6.10047 54.9432 24.7948 87.2241 41.6793 35.2694 24.337 PRESSAVG: 4579400 12.3299 -6.0567 16.291 -6.05667 19.4812 -32.6796 16.2912 -32.6797 1.22271 GPRESSAVG: 4579400 12.0772 -5.88503 15.5334 -7.20184 18.9805 -32.9103 15.2829 -33.7991 1.76785 TIMING: 4579400 CPU: 13306.1, 0.00289122/step Wall: 13306.1, 0.00289122/step, 0.33779 hours remaining, 207.066406 MB of memory in use. ENERGY: 4579400 753.5840 2159.9143 1931.9332 106.6295 -205890.4499 17553.3713 0.0000 0.0000 34015.3431 -149369.6745 297.0645 -183385.0176 -149271.3529 299.1423 -60.6501 -24.9793 557804.3325 11.0113 10.9419 PRESSURE: 4579600 2.3402 -56.4949 64.4648 -56.494 -168.779 -11.9412 64.4652 -11.9411 -238.259 GPRESSURE: 4579600 55.9968 62.4149 59.6645 -149.906 -177.406 -55.7548 29.6839 64.3297 -189.399 PRESSAVG: 4579600 -48.0574 -2.1773 38.0035 -2.17723 -18.1328 -39.4239 38.0034 -39.4239 30.1006 GPRESSAVG: 4579600 -47.5922 -1.24344 39.31 -1.43336 -17.9533 -39.454 38.5065 -38.3358 29.6012 TIMING: 4579600 CPU: 13306.7, 0.0028918/step Wall: 13306.7, 0.0028918/step, 0.337698 hours remaining, 207.066406 MB of memory in use. ENERGY: 4579600 743.3733 2095.9193 1972.0500 118.7328 -206013.6136 17727.3125 0.0000 0.0000 33936.5202 -149419.7056 296.3761 -183356.2258 -149332.8903 298.6977 -134.8994 -103.6025 558773.2226 -12.0298 -11.9814 PRESSURE: 4579800 -58.7606 -101.656 -58.2872 -101.654 120.969 -22.5464 -58.2864 -22.5479 67.6986 GPRESSURE: 4579800 -55.6641 -100.281 -108.343 -39.4545 190.839 11.8465 -7.40613 -158.353 97.7888 PRESSAVG: 4579800 8.63676 9.91118 39.6889 9.91125 -1.57252 29.5766 39.689 29.5765 -5.78822 GPRESSAVG: 4579800 8.89458 9.96666 39.9274 10.6676 -1.8912 28.1078 39.2042 29.7224 -5.48341 TIMING: 4579800 CPU: 13307.3, 0.00289429/step Wall: 13307.3, 0.00289429/step, 0.337828 hours remaining, 207.066406 MB of memory in use. ENERGY: 4579800 727.3000 2074.9663 1971.3909 123.7392 -206583.5794 18027.5878 0.0000 0.0000 34179.1182 -149479.4770 298.4947 -183658.5952 -149384.8749 299.3510 43.3023 77.6546 557585.8303 0.4253 0.5067 PRESSURE: 4580000 -240.179 43.7246 -31.553 43.7251 -52.6886 -98.3421 -31.5533 -98.3418 17.3059 GPRESSURE: 4580000 -209.53 37.5779 -66.2768 30.975 -11.205 -53.0599 -53.5649 -58.7512 36.4496 PRESSAVG: 4580000 52.5791 33.8977 -22.0859 33.8975 -65.2113 17.0884 -22.0859 17.0884 41.0368 GPRESSAVG: 4580000 52.3938 33.2993 -22.4515 32.9442 -64.9109 17.8049 -22.7 16.2707 40.742 TIMING: 4580000 CPU: 13307.9, 0.00289365/step Wall: 13307.9, 0.00289365/step, 0.337593 hours remaining, 207.066406 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: 4580000 747.6861 2104.3213 1986.8018 125.9475 -206533.4950 17847.9000 0.0000 0.0000 34194.4365 -149526.4018 298.6285 -183720.8383 -149437.1650 298.5634 -91.8540 -61.4284 558481.7391 9.4682 9.4083 PRESSURE: 4580200 10.6448 8.95206 39.6727 8.95159 -103.193 -29.7393 39.672 -29.7401 -16.4613 GPRESSURE: 4580200 11.7932 -55.4123 18.044 2.86981 -46.8206 58.3903 109.832 -32.2747 10.9903 PRESSAVG: 4580200 -16.2946 17.2976 17.3228 17.2977 -52.0262 -20.3538 17.3227 -20.3537 18.252 GPRESSAVG: 4580200 -17.8207 16.7728 16.0564 16.9749 -51.4318 -20.5544 19.6615 -18.2092 19.0645 TIMING: 4580200 CPU: 13308.5, 0.00292969/step Wall: 13308.5, 0.00292969/step, 0.341634 hours remaining, 207.066406 MB of memory in use. ENERGY: 4580200 701.1223 2095.5846 1967.2335 104.7521 -206370.4048 17783.0354 0.0000 0.0000 34221.9121 -149496.7648 298.8685 -183718.6769 -149405.7065 298.5752 -36.3366 -8.0123 557428.5630 -16.6896 -16.7293 LDB: ============= START OF LOAD BALANCING ============== 13311.9 LDB: ============== END OF LOAD BALANCING =============== 13311.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13311.9 LDB: ============= START OF LOAD BALANCING ============== 13312.2 LDB: Largest compute 4848 load 0.030673 is 26.0% of average load 0.117832 LDB: Average compute 0.001735 is 1.5% of average load 0.117832 LDB: TIME 13312.2 LOAD: AVG 0.117832 MAX 0.177917 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.496 MB LDB: TIME 13312.2 LOAD: AVG 0.117832 MAX 0.177917 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.5 MB LDB: TIME 13312.2 LOAD: AVG 0.117832 MAX 0.177917 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13312.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13312.2 PRESSURE: 4580400 -274.984 -36.7894 -8.1055 -36.7886 103.169 127.449 -8.10489 127.448 4.92792 GPRESSURE: 4580400 -232.944 -41.1889 67.5096 -79.5225 107.617 149.337 8.34462 149.644 58.557 PRESSAVG: 4580400 -12.0962 46.3997 9.3909 46.3997 -13.5013 -47.2102 9.3909 -47.2101 29.2294 GPRESSAVG: 4580400 -11.4247 49.0046 10.9853 44.2213 -13.6942 -46.9908 7.99425 -48.6288 29.782 TIMING: 4580400 CPU: 13309, 0.00298069/step Wall: 13309, 0.00298069/step, 0.347416 hours remaining, 207.558594 MB of memory in use. ENERGY: 4580400 732.4492 1997.8048 1977.3958 118.9314 -206544.8554 17893.6369 0.0000 0.0000 34243.5096 -149581.1279 299.0571 -183824.6375 -149479.4556 298.7460 -55.6292 -22.2565 557784.2055 1.2106 1.5544 PRESSURE: 4580600 25.5549 94.7578 152.483 94.7571 -243.456 -84.0148 152.482 -84.0157 12.451 GPRESSURE: 4580600 100.338 124.226 152.077 105.672 -259.986 -102.769 152.594 -67.6357 59.4569 PRESSAVG: 4580600 41.6398 48.4225 46.0063 48.4225 -3.1267 -6.55768 46.0063 -6.55771 -35.9611 GPRESSAVG: 4580600 41.1481 47.0187 45.4353 50.5401 -2.53906 -6.61294 44.319 -6.8668 -36.0727 TIMING: 4580600 CPU: 13309.6, 0.00290765/step Wall: 13309.6, 0.00290765/step, 0.338741 hours remaining, 207.800781 MB of memory in use. ENERGY: 4580600 745.3538 2070.3142 1956.0091 112.9617 -206176.4470 17803.3530 0.0000 0.0000 33852.8437 -149635.6115 295.6453 -183488.4552 -149545.3044 298.2736 -68.4832 -33.3971 557674.6460 0.8507 0.8454 PRESSURE: 4580800 -82.6463 -143.417 129.284 -143.417 76.4376 -18.7788 129.286 -18.7779 96.5913 GPRESSURE: 4580800 -9.16472 -111.667 175.195 -92.9646 46.5176 90.1342 258.995 -80.9472 139.097 PRESSAVG: 4580800 -34.5485 71.2228 20.1937 71.2227 23.9836 4.86581 20.1936 4.86574 5.85703 GPRESSAVG: 4580800 -33.832 70.9991 17.6895 69.7623 22.4502 3.95734 23.6757 7.70548 6.51679 TIMING: 4580800 CPU: 13310.2, 0.00288709/step Wall: 13310.2, 0.00288709/step, 0.336186 hours remaining, 207.800781 MB of memory in use. ENERGY: 4580800 723.8682 2063.8365 1970.7863 116.2026 -206479.2006 17889.7650 0.0000 0.0000 34118.5500 -149596.1919 297.9658 -183714.7419 -149498.8637 298.0629 30.1276 58.8168 556187.0890 -1.5693 -1.6217 PRESSURE: 4581000 56.2501 -41.4826 26.066 -41.4827 300.811 -64.0869 26.0652 -64.0875 -209.332 GPRESSURE: 4581000 129.692 -85.7366 23.3786 -69.0557 241.804 27.6613 11.2147 -129.241 -133.955 PRESSAVG: 4581000 -14.5639 -52.1336 -9.94945 -52.1335 -27.7288 -43.2396 -9.94935 -43.2397 68.5152 GPRESSAVG: 4581000 -14.7327 -51.6225 -7.37778 -50.8316 -27.2834 -41.2415 -10.6844 -44.5161 67.7836 TIMING: 4581000 CPU: 13310.8, 0.00287819/step Wall: 13310.8, 0.00287819/step, 0.33499 hours remaining, 207.800781 MB of memory in use. ENERGY: 4581000 723.3879 2096.2063 1974.0520 117.4675 -206456.7204 18010.1511 0.0000 0.0000 34017.2630 -149518.1925 297.0812 -183535.4555 -149425.3997 298.5282 49.2430 79.1803 557290.9509 8.7408 8.5892 PRESSURE: 4581200 -208.265 -73.0207 115.425 -73.0197 23.0921 -157.627 115.425 -157.627 -50.7858 GPRESSURE: 4581200 -192.77 -91.0617 167.247 -77.3877 58.6153 -207.278 146.235 -18.9528 -0.981987 PRESSAVG: 4581200 -42.2445 -34.1113 94.9779 -34.1113 19.9175 5.24132 94.9779 5.24126 39.5706 GPRESSAVG: 4581200 -42.0268 -33.9247 94.0385 -35.9443 20.4917 3.27017 95.361 3.80731 38.5855 TIMING: 4581200 CPU: 13311.4, 0.00290102/step Wall: 13311.4, 0.00290102/step, 0.337485 hours remaining, 207.925781 MB of memory in use. ENERGY: 4581200 740.7506 2047.4774 2005.4968 110.5923 -206449.3232 17819.2248 0.0000 0.0000 34271.3477 -149454.4335 299.3002 -183725.7812 -149355.8998 298.0838 -78.6529 -45.0455 557435.8541 5.7479 5.6835 PRESSURE: 4581400 121.93 128.588 -49.2103 128.588 15.6011 -50.3876 -49.21 -50.386 -258.551 GPRESSURE: 4581400 141.788 60.4031 -91.3999 169.03 32.1045 -13.84 21.0794 -28.0249 -196.834 PRESSAVG: 4581400 8.42124 3.7635 19.9242 3.76349 -49.9821 -35.9345 19.9241 -35.9345 42.9277 GPRESSAVG: 4581400 8.29621 2.17543 19.3882 6.08475 -50.5085 -35.9829 18.3649 -35.1727 43.5696 TIMING: 4581400 CPU: 13311.9, 0.00291068/step Wall: 13311.9, 0.00291068/step, 0.338448 hours remaining, 207.925781 MB of memory in use. ENERGY: 4581400 753.5651 2096.5699 1990.4173 124.2036 -206359.2102 17889.7143 0.0000 0.0000 34083.1272 -149421.6127 297.6564 -183504.7400 -149329.1646 298.2454 -40.3399 -7.6473 556578.9911 0.4556 0.4524 PRESSURE: 4581600 171.63 34.7895 -119.577 34.7897 249.678 83.3671 -119.576 83.3669 -137.842 GPRESSURE: 4581600 233.148 -34.9492 -170.264 46.1328 240.986 52.6861 -135.664 78.3305 -106.032 PRESSAVG: 4581600 46.077 -44.6703 4.39924 -44.6703 42.8265 -9.13611 4.39921 -9.13609 -83.302 GPRESSAVG: 4581600 46.2708 -43.7153 4.40363 -44.5275 42.8955 -8.85787 4.51646 -9.84005 -83.2433 TIMING: 4581600 CPU: 13312.5, 0.00289905/step Wall: 13312.5, 0.00289905/step, 0.336934 hours remaining, 207.925781 MB of memory in use. ENERGY: 4581600 709.6115 2138.0099 1981.9382 116.4599 -206677.8721 17899.7057 0.0000 0.0000 34286.3783 -149545.7686 299.4315 -183832.1469 -149451.6558 298.9250 94.4885 122.7008 557182.0070 1.8671 1.9743 PRESSURE: 4581800 -261.986 -37.8486 72.5355 -37.8475 -168.936 0.49037 72.5351 0.490912 17.878 GPRESSURE: 4581800 -234.644 -46.8915 42.4832 -72.1095 -137.887 -11.1985 119.271 98.4276 52.8393 PRESSAVG: 4581800 33.2817 1.63345 26.0082 1.63351 -40.5953 9.40287 26.0082 9.403 5.80919 GPRESSAVG: 4581800 33.444 1.17563 27.4448 1.16778 -39.8195 9.5669 25.9874 9.70867 5.00943 TIMING: 4581800 CPU: 13313.1, 0.00290236/step Wall: 13313.1, 0.00290236/step, 0.337158 hours remaining, 207.925781 MB of memory in use. ENERGY: 4581800 728.9148 2125.1510 1982.9359 110.2235 -206716.9048 17791.6876 0.0000 0.0000 34072.3805 -149905.6115 297.5626 -183977.9920 -149807.4351 298.7117 -137.6812 -106.5640 556576.9098 -0.5015 -0.4554 PRESSURE: 4582000 -237.21 -25.1157 71.3355 -25.1161 118.942 73.2541 71.3357 73.254 21.2881 GPRESSURE: 4582000 -267.314 -104.531 134.204 -38.4494 176.799 102.007 37.1664 54.396 67.9507 PRESSAVG: 4582000 -33.562 1.52589 5.50584 1.52593 -3.33987 12.887 5.5058 12.8869 4.20614 GPRESSAVG: 4582000 -33.0073 2.14897 5.22643 -0.171014 -4.28323 13.4488 4.90041 11.0866 4.63689 TIMING: 4582000 CPU: 13313.7, 0.00289928/step Wall: 13313.7, 0.00289928/step, 0.336639 hours remaining, 208.003906 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: 4582000 776.5800 2007.9200 2013.3322 114.5106 -206826.6680 17952.8835 0.0000 0.0000 34283.2983 -149678.1434 299.4046 -183961.4416 -149580.0536 298.4986 -32.3265 -7.5212 557572.4042 -10.8986 -10.8846 PRESSURE: 4582200 293.101 -46.9491 -94.0124 -46.9492 265.484 86.5694 -94.0129 86.569 223.916 GPRESSURE: 4582200 367.786 -40.9495 -143.712 6.28362 300.63 -13.0003 62.7574 194.887 215.508 PRESSAVG: 4582200 8.2236 30.2081 -15.6725 30.208 -18.8601 -10.0927 -15.6724 -10.0927 56.7598 GPRESSAVG: 4582200 7.32691 28.9491 -16.8666 32.4623 -17.7738 -11.6658 -13.7362 -7.20961 57.1406 TIMING: 4582200 CPU: 13314.3, 0.00291161/step Wall: 13314.3, 0.00291161/step, 0.337908 hours remaining, 208.003906 MB of memory in use. ENERGY: 4582200 688.3308 2127.5488 1985.2996 119.0180 -207160.4967 18365.3609 0.0000 0.0000 34224.4079 -149650.5307 298.8903 -183874.9387 -149557.2284 298.6652 260.8336 294.6413 556330.3329 15.3744 15.5646 PRESSURE: 4582400 39.911 16.9093 113.703 16.9089 498.414 35.5813 113.704 35.5825 -52.7044 GPRESSURE: 4582400 30.3593 -15.2911 43.0218 105.101 521.449 -46.4214 110.502 48.9395 30.5393 PRESSAVG: 4582400 1.67889 -27.5939 -51.2635 -27.5941 -28.5221 14.6869 -51.2635 14.6868 15.2265 GPRESSAVG: 4582400 0.753291 -27.275 -51.7054 -30.6028 -29.3621 14.8089 -50.8074 14.0007 16.3549 TIMING: 4582400 CPU: 13314.8, 0.00289651/step Wall: 13314.8, 0.00289651/step, 0.335995 hours remaining, 208.003906 MB of memory in use. ENERGY: 4582400 726.0311 2141.1193 1954.7200 108.6628 -206812.5788 18255.7803 0.0000 0.0000 34121.4778 -149504.7874 297.9914 -183626.2653 -149413.7723 298.4597 161.8734 194.1158 557771.0310 -3.8722 -4.0846 PRESSURE: 4582600 217.397 22.655 -30.8125 22.6551 -147.354 -14.9546 -30.8126 -14.9537 -81.9932 GPRESSURE: 4582600 222.798 50.1174 22.4762 -27.7934 -83.6024 44.2941 -118.394 41.9825 -59.9695 PRESSAVG: 4582600 62.6283 16.1943 21.283 16.1944 -27.1328 13.3742 21.2831 13.3741 -70.7065 GPRESSAVG: 4582600 63.247 16.8108 21.7556 17.2646 -26.9285 16.051 19.6519 13.3784 -71.8525 TIMING: 4582600 CPU: 13315.4, 0.00289748/step Wall: 13315.4, 0.00289748/step, 0.335947 hours remaining, 208.003906 MB of memory in use. ENERGY: 4582600 766.0989 2082.4309 1986.4712 120.1519 -206367.7570 17832.8742 0.0000 0.0000 34265.5511 -149314.1787 299.2496 -183579.7298 -149220.6242 298.9245 -3.9835 26.4089 557350.5425 -11.7370 -11.8447 PRESSURE: 4582800 -33.4806 85.9576 -61.2262 85.9571 -260.637 -7.78241 -61.2258 -7.78203 -42.1491 GPRESSURE: 4582800 24.6482 63.4037 -9.91146 120.467 -234.997 -13.8827 -21.8821 -50.961 -34.4684 PRESSAVG: 4582800 65.2207 -2.65984 13.0051 -2.65991 -3.4404 -2.30272 13.005 -2.30275 -8.41379 GPRESSAVG: 4582800 65.3398 -2.32225 14.0162 -3.05654 -3.06551 -5.81841 14.5902 -2.0285 -9.09713 TIMING: 4582800 CPU: 13316, 0.00289799/step Wall: 13316, 0.00289799/step, 0.335845 hours remaining, 208.003906 MB of memory in use. ENERGY: 4582800 759.9201 2113.2576 1959.6232 119.3218 -206446.8099 17763.3059 0.0000 0.0000 34238.0665 -149493.3147 299.0096 -183731.3812 -149396.1470 299.6586 -112.0888 -81.6056 557977.1419 17.7888 17.7257 PRESSURE: 4583000 95.4918 49.6086 126.054 49.6079 -18.0651 -83.6875 126.055 -83.6886 -56.1581 GPRESSURE: 4583000 111.537 -3.73838 91.1949 43.8239 0.00638863 -108.965 89.7171 -62.4808 -0.362227 PRESSAVG: 4583000 3.65864 47.0098 53.4147 47.0099 -9.74278 -45.8816 53.4147 -45.8817 34.6348 GPRESSAVG: 4583000 3.58809 46.6602 52.8295 48.1169 -10.3629 -44.4356 50.6931 -44.7431 35.1762 TIMING: 4583000 CPU: 13316.6, 0.0028773/step Wall: 13316.6, 0.0028773/step, 0.333287 hours remaining, 208.003906 MB of memory in use. ENERGY: 4583000 745.8643 2081.3037 1983.9533 124.5765 -206423.2956 17840.2123 0.0000 0.0000 34081.8654 -149565.5202 297.6454 -183647.3856 -149466.3496 298.2637 7.0895 37.0604 557864.1833 9.5169 9.4671 PRESSURE: 4583200 -164.684 -31.6356 21.4637 -31.6368 -87.7058 72.9899 21.4633 72.9914 18.5262 GPRESSURE: 4583200 -116.631 -88.431 96.123 -48.3631 -49.6449 56.9624 90.4924 135.751 21.9342 PRESSAVG: 4583200 -24.9079 -3.56282 8.25904 -3.56282 48.2453 45.5853 8.25906 45.5852 30.5843 GPRESSAVG: 4583200 -24.4361 -2.9844 9.2073 -3.5849 47.5453 44.7326 9.35359 45.1284 30.9519 TIMING: 4583200 CPU: 13317.2, 0.00291638/step Wall: 13317.2, 0.00291638/step, 0.337652 hours remaining, 208.003906 MB of memory in use. ENERGY: 4583200 761.7710 2055.8672 1984.5538 134.8251 -206389.1478 17694.4327 0.0000 0.0000 34075.1244 -149682.5736 297.5865 -183757.6979 -149580.7846 297.9700 -77.9544 -48.1140 557456.5285 17.9739 18.0204 PRESSURE: 4583400 83.2553 -72.9244 -73.4992 -72.9248 -0.207057 -118.302 -73.4988 -118.303 -208.396 GPRESSURE: 4583400 63.0195 -131.249 -29.6452 -32.2113 71.0746 -176.501 -120.829 -20.0792 -152.344 PRESSAVG: 4583400 11.8771 10.2215 -30.3985 10.2216 -75.5515 -11.035 -30.3985 -11.035 36.3433 GPRESSAVG: 4583400 12.6219 9.34048 -31.9292 11.2531 -75.1214 -10.0978 -31.5455 -10.8212 34.7257 TIMING: 4583400 CPU: 13317.7, 0.00291904/step Wall: 13317.7, 0.00291904/step, 0.337798 hours remaining, 208.003906 MB of memory in use. ENERGY: 4583400 716.7810 2105.3779 1943.2210 106.1771 -206129.3935 17409.6723 0.0000 0.0000 34135.9486 -149712.2155 298.1177 -183848.1641 -149616.3090 297.5174 -41.7826 -6.0834 555392.1219 -9.1104 -9.2580 PRESSURE: 4583600 -323.185 -137.315 42.9516 -137.314 -105.844 -247.92 42.9515 -247.92 -287.478 GPRESSURE: 4583600 -254.86 -155.432 -32.3547 -110.192 -94.0386 -215.831 41.6608 -332.062 -267.066 PRESSAVG: 4583600 50.3926 -24.3137 3.784 -24.3136 1.04904 15.1825 3.78402 15.1825 -13.5661 GPRESSAVG: 4583600 50.4201 -24.3778 6.62115 -23.3813 0.294067 16.7932 3.02842 12.8629 -12.565 TIMING: 4583600 CPU: 13318.3, 0.00290869/step Wall: 13318.3, 0.00290869/step, 0.336438 hours remaining, 208.003906 MB of memory in use. ENERGY: 4583600 749.7068 2080.3633 1959.2676 105.0167 -205989.5399 17365.3736 0.0000 0.0000 34227.0703 -149502.7417 298.9135 -183729.8120 -149405.5822 297.3574 -238.8358 -205.3215 557624.4696 12.6252 12.7164 PRESSURE: 4583800 -81.211 46.0966 16.8461 46.0977 -94.0051 -8.3635 16.8452 -8.36423 -21.7137 GPRESSURE: 4583800 -0.0220975 10.2829 -28.2478 -28.8134 -136.905 28.619 55.9457 -121.746 46.7326 PRESSAVG: 4583800 9.53792 25.458 2.0659 25.458 -9.37799 -44.8137 2.06588 -44.8137 -12.2072 GPRESSAVG: 4583800 9.16538 26.8164 0.640587 24.1291 -10.3879 -47.1022 5.07183 -44.0341 -11.0043 TIMING: 4583800 CPU: 13318.9, 0.00289545/step Wall: 13318.9, 0.00289545/step, 0.334746 hours remaining, 208.003906 MB of memory in use. ENERGY: 4583800 729.2762 2039.0527 1963.0831 108.6394 -206245.1196 17624.5131 0.0000 0.0000 34266.0404 -149514.5148 299.2539 -183780.5552 -149417.0758 298.9158 -65.6433 -30.0650 556031.3770 -4.0158 -4.0756 PRESSURE: 4584000 2.16345 81.555 26.5033 81.5565 -40.8166 11.2771 26.5047 11.2771 61.2081 GPRESSURE: 4584000 23.4095 79.6584 41.9816 5.70894 46.9745 47.1164 -2.54476 -5.87883 39.8301 PRESSAVG: 4584000 16.6928 -34.402 -6.35949 -34.4019 -26.4189 -31.7969 -6.35951 -31.7969 33.1658 GPRESSAVG: 4584000 15.9186 -34.3454 -6.6594 -35.6516 -25.0789 -29.47 -7.07659 -31.7134 32.5998 TIMING: 4584000 CPU: 13319.5, 0.00289303/step Wall: 13319.5, 0.00289303/step, 0.334306 hours remaining, 208.003906 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: 4584000 764.7563 2089.0231 1980.3926 113.5458 -206474.8960 17742.2012 0.0000 0.0000 34347.9239 -149437.0531 299.9690 -183784.9770 -149345.3274 297.9849 7.5183 36.7381 556005.6913 7.8132 7.8132 PRESSURE: 4584200 -95.9197 -57.1413 -184.626 -57.1413 -290.538 -70.219 -184.626 -70.2187 69.3181 GPRESSURE: 4584200 -90.655 -48.1052 -197.408 -105.915 -257.499 -1.01371 -209.18 -129.15 109.881 PRESSAVG: 4584200 10.0495 0.325934 4.12113 0.326038 -60.0262 -6.24294 4.12103 -6.24279 -2.46051 GPRESSAVG: 4584200 10.9121 -0.719988 5.85333 -0.195443 -58.9433 -6.70398 2.77982 -4.63871 -3.92238 TIMING: 4584200 CPU: 13320.1, 0.0029063/step Wall: 13320.1, 0.0029063/step, 0.335678 hours remaining, 208.003906 MB of memory in use. ENERGY: 4584200 754.7698 2082.5728 1956.9539 94.1091 -206199.7668 17542.0131 0.0000 0.0000 34313.4617 -149455.8864 299.6680 -183769.3481 -149351.4872 298.6652 -105.7133 -79.4242 556909.1634 -17.4791 -17.3179 LDB: ============= START OF LOAD BALANCING ============== 13323.5 LDB: ============== END OF LOAD BALANCING =============== 13323.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13323.5 LDB: ============= START OF LOAD BALANCING ============== 13323.8 LDB: Largest compute 4848 load 0.031493 is 26.7% of average load 0.117869 LDB: Average compute 0.001739 is 1.5% of average load 0.117869 LDB: TIME 13323.8 LOAD: AVG 0.117869 MAX 0.182281 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.633 MB LDB: TIME 13323.8 LOAD: AVG 0.117869 MAX 0.182281 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: TIME 13323.8 LOAD: AVG 0.117869 MAX 0.182281 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.633 MB LDB: ============== END OF LOAD BALANCING =============== 13323.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13323.8 PRESSURE: 4584400 -193.72 -68.7315 64.6911 -68.7309 -74.7403 60.7135 64.6908 60.7152 -67.493 GPRESSURE: 4584400 -58.4681 -154.712 39.4728 36.3943 -113.458 33.6718 28.9065 34.3616 -56.9374 PRESSAVG: 4584400 18.9805 -8.19647 37.7924 -8.19654 -4.51581 -6.52841 37.7924 -6.52835 -22.0346 GPRESSAVG: 4584400 19.6002 -7.99113 38.07 -6.52638 -6.36016 -7.50893 38.2946 -9.02224 -20.8901 TIMING: 4584400 CPU: 13320.7, 0.00295521/step Wall: 13320.7, 0.00295521/step, 0.341163 hours remaining, 207.500000 MB of memory in use. ENERGY: 4584400 736.8187 2093.1505 1948.6517 118.3574 -206163.8821 17799.2403 0.0000 0.0000 34171.9688 -149295.6946 298.4323 -183467.6634 -149206.8223 299.1663 -111.9843 -76.2878 557091.3555 -2.5233 -2.5500 PRESSURE: 4584600 -165.092 -83.8763 101.149 -83.8775 27.7962 -105.256 101.148 -105.255 67.7414 GPRESSURE: 4584600 -123.289 -83.4915 58.4988 -74.3649 -4.91308 -102.065 79.8421 -173.775 150.354 PRESSAVG: 4584600 -24.7723 -62.5141 31.1087 -62.5141 -39.3168 49.7941 31.1087 49.7941 66.8028 GPRESSAVG: 4584600 -25.0729 -62.1258 29.4896 -61.3857 -39.0808 50.8142 32.6338 50.1548 67.0993 TIMING: 4584600 CPU: 13321.2, 0.00288782/step Wall: 13321.2, 0.00288782/step, 0.333222 hours remaining, 207.703125 MB of memory in use. ENERGY: 4584600 779.3638 2138.5357 1964.6462 124.7133 -206589.8425 17929.8133 0.0000 0.0000 34282.3905 -149370.3798 299.3966 -183652.7703 -149279.0220 299.7639 -23.1850 7.3841 557459.9979 0.9046 0.9819 PRESSURE: 4584800 113.928 -56.5389 39.9228 -56.5387 -420.733 83.8829 39.9226 83.8842 -196.387 GPRESSURE: 4584800 122.329 0.925397 0.852713 -183.444 -358.612 -14.1667 -38.0091 4.566 -165.506 PRESSAVG: 4584800 58.5112 -34.0228 5.96592 -34.0228 41.2087 -32.112 5.96597 -32.112 -21.9476 GPRESSAVG: 4584800 58.9251 -34.3874 6.973 -35.0473 41.4673 -30.8003 6.43855 -31.3087 -22.5834 TIMING: 4584800 CPU: 13321.8, 0.00287487/step Wall: 13321.8, 0.00287487/step, 0.331568 hours remaining, 207.703125 MB of memory in use. ENERGY: 4584800 751.3153 2100.8712 1926.5545 115.3122 -205908.5896 17535.4892 0.0000 0.0000 34235.4709 -149243.5763 298.9869 -183479.0472 -149154.6284 299.1453 -167.7305 -133.9296 558952.2929 25.9241 25.9363 PRESSURE: 4585000 -27.1005 -59.3284 48.2839 -59.3275 255.324 -9.74725 48.2848 -9.74717 -5.76883 GPRESSURE: 4585000 -8.16927 -56.8919 13.335 -29.1886 284.898 -57.3171 79.1388 -2.72403 54.653 PRESSAVG: 4585000 -36.7381 -45.4981 16.0613 -45.4982 29.0617 2.90761 16.0612 2.90755 -45.7474 GPRESSAVG: 4585000 -38.5039 -43.3463 14.1621 -46.606 30.0043 9.95838e-05 18.073 2.71713 -45.3134 TIMING: 4585000 CPU: 13322.4, 0.00289931/step Wall: 13322.4, 0.00289931/step, 0.334226 hours remaining, 207.703125 MB of memory in use. ENERGY: 4585000 737.5172 2057.6240 1963.5138 109.2011 -206182.2749 17978.5509 0.0000 0.0000 33990.3582 -149345.5098 296.8463 -183335.8679 -149246.6090 298.2729 74.1517 110.4605 557439.0115 -17.8079 -17.9377 PRESSURE: 4585200 -252.15 -12.8748 -117.532 -12.8763 -166.008 -63.62 -117.533 -63.6207 -202.282 GPRESSURE: 4585200 -219.273 -60.0189 -141.696 -68.8548 -95.7681 -4.25109 -116.018 -35.8477 -209.714 PRESSAVG: 4585200 -15.8678 -62.9123 12.9389 -62.9124 50.7217 -31.1248 12.9389 -31.1247 51.7625 GPRESSAVG: 4585200 -13.6279 -63.1662 15.1349 -64.014 49.4162 -29.5842 10.432 -30.912 51.2168 TIMING: 4585200 CPU: 13323, 0.00289676/step Wall: 13323, 0.00289676/step, 0.333771 hours remaining, 207.703125 MB of memory in use. ENERGY: 4585200 791.7102 2057.4195 1992.8264 119.1106 -205743.4358 17411.8463 0.0000 0.0000 34007.3450 -149363.1780 296.9946 -183370.5230 -149274.6988 298.0478 -206.8133 -174.9183 557481.8925 28.8721 29.0017 PRESSURE: 4585400 -29.9819 23.7639 91.929 23.7648 228.484 -147.4 91.9301 -147.401 -208.736 GPRESSURE: 4585400 -0.828945 -69.491 78.4334 14.5455 308.065 -66.8549 47.188 -179.61 -224.227 PRESSAVG: 4585400 -55.7337 -43.3939 -8.21226 -43.3939 59.5026 -14.3758 -8.21216 -14.3759 19.7544 GPRESSAVG: 4585400 -56.2817 -43.1366 -8.2841 -42.3705 59.9164 -15.0534 -8.47256 -14.2705 19.9319 TIMING: 4585400 CPU: 13323.6, 0.00290481/step Wall: 13323.6, 0.00290481/step, 0.334538 hours remaining, 207.703125 MB of memory in use. ENERGY: 4585400 742.9378 2057.4479 1990.5820 109.6670 -206425.9446 17913.5531 0.0000 0.0000 34245.8865 -149365.8703 299.0778 -183611.7568 -149266.1311 298.8526 -3.4113 27.6697 558853.8183 7.8411 7.8555 PRESSURE: 4585600 -77.0596 -48.4711 -30.7781 -48.4704 -380.262 170.204 -30.7778 170.204 -38.5368 GPRESSURE: 4585600 -106.566 10.2315 -30.9677 -4.127 -294.428 136.658 6.44085 138.593 -5.57683 PRESSAVG: 4585600 -8.3306 -7.86158 -55.2004 -7.86162 -38.9624 23.515 -55.2004 23.5152 19.7103 GPRESSAVG: 4585600 -8.80675 -10.1444 -56.5663 -6.96021 -38.109 24.3098 -55.6254 22.8164 19.0248 TIMING: 4585600 CPU: 13324.1, 0.00292682/step Wall: 13324.1, 0.00292682/step, 0.336909 hours remaining, 207.703125 MB of memory in use. ENERGY: 4585600 723.5589 2044.7593 1990.2341 113.5380 -205713.6324 17453.8912 0.0000 0.0000 34039.2232 -149348.4277 297.2730 -183387.6509 -149251.6437 298.5140 -165.2861 -135.5237 558092.6325 -9.1942 -9.2970 PRESSURE: 4585800 -55.1525 -38.5729 -31.4392 -38.5718 -202.45 -40.6684 -31.4395 -40.6667 -54.5676 GPRESSURE: 4585800 -51.5605 13.7884 23.6686 -100.341 -140.961 -34.3346 -108.069 -60.4843 -9.57805 PRESSAVG: 4585800 -31.5338 -2.18241 -4.44917 -2.18255 41.9011 25.8432 -4.44914 25.8431 45.2337 GPRESSAVG: 4585800 -30.0124 -0.665612 -3.72449 -3.19411 40.2173 25.2879 -3.47535 25.7707 46.1386 TIMING: 4585800 CPU: 13324.7, 0.00294769/step Wall: 13324.7, 0.00294769/step, 0.339149 hours remaining, 207.703125 MB of memory in use. ENERGY: 4585800 738.8628 2087.9609 1972.8886 105.6624 -206189.4575 17704.2332 0.0000 0.0000 34125.5167 -149454.3331 298.0266 -183579.8497 -149355.8982 298.6056 -104.0568 -67.3666 558979.9092 18.5337 18.7812 PRESSURE: 4586000 88.8486 -30.0263 92.5164 -30.0249 -25.643 2.27804 92.5165 2.27741 -148.095 GPRESSURE: 4586000 105.056 -49.0782 30.2095 -50.9856 22.2413 7.10141 90.562 38.2472 -128.629 PRESSAVG: 4586000 13.3421 -7.63411 8.39319 -7.63411 -0.446556 -16.7609 8.39319 -16.7609 -4.50148 GPRESSAVG: 4586000 12.0022 -8.42009 6.711 -6.75095 1.27916 -16.8077 7.22818 -16.7692 -4.24101 TIMING: 4586000 CPU: 13325.3, 0.00291289/step Wall: 13325.3, 0.00291289/step, 0.334983 hours remaining, 207.703125 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: 4586000 740.6372 2065.3386 1957.9319 114.5408 -206491.1988 17989.8872 0.0000 0.0000 34148.2085 -149474.6547 298.2248 -183622.8632 -149379.3808 298.3656 -28.2966 -0.4439 559340.6020 2.7980 3.0135 PRESSURE: 4586200 107.715 12.6636 57.4716 12.6639 138.642 -24.7109 57.4708 -24.7123 207.711 GPRESSURE: 4586200 157.196 -34.3362 67.3752 41.1281 193.901 -15.2044 84.5925 26.9593 200.384 PRESSAVG: 4586200 -12.7926 57.6495 31.8103 57.6495 7.40282 -0.607501 31.8102 -0.607388 14.6002 GPRESSAVG: 4586200 -10.7019 58.3111 34.1271 57.1108 5.65481 -0.964836 30.8356 -0.514093 13.8884 TIMING: 4586200 CPU: 13325.9, 0.00292839/step Wall: 13325.9, 0.00292839/step, 0.336602 hours remaining, 207.703125 MB of memory in use. ENERGY: 4586200 720.3028 2041.6347 1937.8331 107.4357 -206449.8475 18105.2178 0.0000 0.0000 34216.2896 -149321.1338 298.8194 -183537.4235 -149230.1452 298.5095 151.3560 183.8266 557523.6175 3.0701 2.9471 PRESSURE: 4586400 209.869 151.747 49.8151 151.747 -27.9974 -81.0946 49.8139 -81.0934 -62.968 GPRESSURE: 4586400 237.534 175.37 74.9433 155.265 42.3863 -22.3506 -36.5553 -60.163 -71.4442 PRESSAVG: 4586400 -23.2142 -8.19329 -3.74874 -8.19333 30.0021 -28.8379 -3.74884 -28.8378 -8.8702 GPRESSAVG: 4586400 -23.7 -9.03329 -3.66768 -6.73085 30.2798 -27.3103 -3.00705 -29.4255 -9.26351 TIMING: 4586400 CPU: 13326.5, 0.00289981/step Wall: 13326.5, 0.00289981/step, 0.333155 hours remaining, 207.703125 MB of memory in use. ENERGY: 4586400 735.8683 2056.9292 1960.4169 106.3770 -206116.8929 17738.4683 0.0000 0.0000 34174.4599 -149344.3732 298.4541 -183518.8332 -149244.2432 298.8972 39.6346 69.4919 557648.8615 -0.6941 -0.8946 PRESSURE: 4586600 38.9976 72.5654 -59.971 72.5659 -440.764 209.897 -59.9708 209.897 94.7949 GPRESSURE: 4586600 92.1613 -16.4188 26.1341 116.233 -306.359 127.568 -139.655 281.725 16.0706 PRESSAVG: 4586600 39.4876 -32.0366 -3.57522 -32.0365 7.01232 48.506 -3.57524 48.506 1.66899 GPRESSAVG: 4586600 38.4915 -31.9809 -3.73041 -33.0934 8.67057 47.4444 -4.03663 48.4072 1.09103 TIMING: 4586600 CPU: 13327.1, 0.00290796/step Wall: 13327.1, 0.00290796/step, 0.333931 hours remaining, 207.703125 MB of memory in use. ENERGY: 4586600 783.7514 2092.0120 1956.0040 109.2791 -206012.9066 17688.8070 0.0000 0.0000 34045.1683 -149337.8848 297.3249 -183383.0531 -149244.2282 298.5148 -102.3239 -66.0422 556423.8858 16.0563 16.0844 PRESSURE: 4586800 -440.919 138.75 30.3936 138.75 -174.457 24.7353 30.3929 24.7363 -200.778 GPRESSURE: 4586800 -429.358 93.2315 37.0842 123.142 -109.089 -38.8704 94.4244 3.09661 -193.615 PRESSAVG: 4586800 15.4378 -46.8903 20.0683 -46.8903 -55.4446 -33.0162 20.0683 -33.0161 -3.98595 GPRESSAVG: 4586800 16.4921 -46.5591 17.7502 -45.7788 -56.3346 -32.2019 22.3182 -33.0317 -3.5189 TIMING: 4586800 CPU: 13327.6, 0.00292034/step Wall: 13327.6, 0.00292034/step, 0.33519 hours remaining, 207.703125 MB of memory in use. ENERGY: 4586800 742.3221 2094.7220 1954.9571 105.2488 -205618.9388 17218.2219 0.0000 0.0000 34233.7432 -149269.7237 298.9718 -183503.4669 -149166.1740 299.0438 -272.0512 -244.0205 555808.7804 -14.6643 -14.4538 PRESSURE: 4587000 -255.714 29.6137 -3.39593 29.6141 14.2372 -10.8516 -3.39582 -10.8519 -211.832 GPRESSURE: 4587000 -243.486 61.8006 -10.979 45.9896 42.5264 34.3558 26.6543 -68.0523 -159.657 PRESSAVG: 4587000 -28.8175 8.61833 73.5806 8.61833 69.8611 -63.8208 73.5807 -63.8207 -13.6212 GPRESSAVG: 4587000 -30.3866 7.60235 75.3245 9.44622 70.3248 -64.0637 73.8838 -62.7598 -12.9412 TIMING: 4587000 CPU: 13328.2, 0.00292396/step Wall: 13328.2, 0.00292396/step, 0.335443 hours remaining, 207.703125 MB of memory in use. ENERGY: 4587000 780.2807 2091.4349 1941.6693 104.1545 -205928.1692 17556.3709 0.0000 0.0000 34136.9314 -149317.3274 298.1263 -183454.2588 -149217.8994 299.2430 -151.1029 -120.2056 556557.1373 9.1408 8.9990 PRESSURE: 4587200 168.447 49.9705 87.3769 49.9698 -44.3514 -75.3504 87.3774 -75.3492 329.007 GPRESSURE: 4587200 226.449 39.2282 -24.3486 70.9912 -8.74072 -57.121 106.196 19.327 333.799 PRESSAVG: 4587200 -42.7537 35.7407 -10.1156 35.7407 -26.4871 -5.9425 -10.1157 -5.94244 22.2731 GPRESSAVG: 4587200 -41.4183 36.4896 -9.26983 33.6563 -27.8188 -4.79195 -11.0599 -5.14004 22.5907 TIMING: 4587200 CPU: 13328.8, 0.00291774/step Wall: 13328.8, 0.00291774/step, 0.334567 hours remaining, 207.812500 MB of memory in use. ENERGY: 4587200 750.2926 2074.6078 1980.5756 105.9514 -206781.1829 18163.1405 0.0000 0.0000 34330.4741 -149376.1409 299.8166 -183706.6150 -149277.3701 298.4255 151.0340 183.8356 556481.8592 -15.6559 -15.5488 PRESSURE: 4587400 -1.94466 -64.5265 -164.288 -64.5255 -17.7419 -63.877 -164.289 -63.8763 -77.9084 GPRESSURE: 4587400 -22.9648 -6.26413 -208.679 -74.7248 33.6198 -121.106 -220.546 -49.6738 -19.3064 PRESSAVG: 4587400 -48.4975 75.0934 35.6223 75.0934 7.03397 -40.072 35.6224 -40.0719 74.1936 GPRESSAVG: 4587400 -48.2365 74.411 32.3668 74.8067 7.39178 -40.1283 35.3357 -41.1716 73.1444 TIMING: 4587400 CPU: 13329.4, 0.00289276/step Wall: 13329.4, 0.00289276/step, 0.331542 hours remaining, 207.812500 MB of memory in use. ENERGY: 4587400 749.4848 2007.5834 1955.3231 111.9621 -206248.5210 17854.2995 0.0000 0.0000 34183.9623 -149385.9056 298.5370 -183569.8680 -149286.2712 297.8506 -32.5317 -2.8838 558554.2111 10.9100 10.7666 PRESSURE: 4587600 257.758 31.2717 -17.736 31.2733 187.217 -5.95403 -17.7352 -5.95426 201.933 GPRESSURE: 4587600 275.781 -5.40261 -11.2479 66.126 266.037 4.8612 -60.3489 -50.437 209.612 PRESSAVG: 4587600 2.21734 55.7863 -21.9952 55.7864 -3.19221 -53.4844 -21.9952 -53.4844 -24.4768 GPRESSAVG: 4587600 1.00505 57.4398 -20.5423 56.7134 -2.88764 -52.8985 -21.1321 -53.4703 -23.6822 TIMING: 4587600 CPU: 13330, 0.00291063/step Wall: 13330, 0.00291063/step, 0.333429 hours remaining, 207.812500 MB of memory in use. ENERGY: 4587600 715.1533 2110.8133 1995.2901 117.5341 -206917.7482 18295.1081 0.0000 0.0000 34194.4319 -149489.4175 298.6285 -183683.8494 -149391.4494 298.2594 215.6362 250.4768 557091.4088 -8.4839 -8.5216 PRESSURE: 4587800 -76.882 137.601 -135.791 137.601 -346.01 -55.047 -135.791 -55.046 -11.9983 GPRESSURE: 4587800 -20.065 120.215 -136.381 100.762 -320.85 53.2101 -187.634 -153.898 13.591 PRESSAVG: 4587800 -44.8282 37.5101 21.3279 37.51 49.6818 -12.0997 21.328 -12.0998 15.1439 GPRESSAVG: 4587800 -43.8769 36.3894 21.1342 35.0544 49.8629 -13.3875 21.5812 -12.0823 14.0162 TIMING: 4587800 CPU: 13330.5, 0.00288228/step Wall: 13330.5, 0.00288228/step, 0.330021 hours remaining, 207.812500 MB of memory in use. ENERGY: 4587800 731.1902 2104.3792 1968.0005 107.8660 -206296.0568 17718.7867 0.0000 0.0000 34277.2296 -149388.6046 299.3516 -183665.8343 -149297.3591 298.5118 -144.9633 -109.1082 557402.6717 6.6658 6.6674 PRESSURE: 4588000 -302.656 -4.65961 -46.0101 -4.65874 -137.607 190.651 -46.0104 190.652 -57.0829 GPRESSURE: 4588000 -223.89 42.0832 13.9169 -57.3745 -189.665 215.181 -232.116 143.687 6.66847 PRESSAVG: 4588000 -21.4415 19.9219 -29.244 19.9218 8.08916 21.2743 -29.2441 21.2742 43.754 GPRESSAVG: 4588000 -22.623 18.7816 -29.066 23.1427 8.21496 19.5685 -31.9354 22.8748 45.5002 TIMING: 4588000 CPU: 13331.1, 0.00289492/step Wall: 13331.1, 0.00289492/step, 0.331308 hours remaining, 207.812500 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: 4588000 778.6039 2056.4364 1954.7165 124.1721 -206077.6565 17642.0053 0.0000 0.0000 34370.4812 -149151.2411 300.1660 -183521.7223 -149053.9194 298.7914 -165.7821 -135.6287 557291.6242 10.1339 10.3641 PRESSURE: 4588200 1.83626 160.29 98.3801 160.289 55.7421 76.2797 98.3806 76.2791 -113.755 GPRESSURE: 4588200 74.1015 154.067 75.2579 135.394 23.7052 85.0371 57.8205 46.8204 -63.926 PRESSAVG: 4588200 16.2197 -36.1326 13.5465 -36.1325 -9.98055 32.8731 13.5466 32.873 14.8905 GPRESSAVG: 4588200 17.0578 -34.7619 12.4674 -39.4744 -11.1579 34.0944 15.3146 33.5121 15.128 TIMING: 4588200 CPU: 13331.7, 0.00290245/step Wall: 13331.7, 0.00290245/step, 0.332008 hours remaining, 207.812500 MB of memory in use. ENERGY: 4588200 745.6240 2057.1492 1934.0373 112.9494 -206258.3869 17819.3644 0.0000 0.0000 34270.3119 -149318.9507 299.2912 -183589.2626 -149219.8180 299.0902 -18.7254 11.2936 557835.6779 7.0432 7.0093 LDB: ============= START OF LOAD BALANCING ============== 13335.2 LDB: ============== END OF LOAD BALANCING =============== 13335.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13335.2 LDB: ============= START OF LOAD BALANCING ============== 13335.5 LDB: Largest compute 4848 load 0.031012 is 26.3% of average load 0.117830 LDB: Average compute 0.001739 is 1.5% of average load 0.117830 LDB: TIME 13335.5 LOAD: AVG 0.11783 MAX 0.181159 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.867 MB LDB: TIME 13335.5 LOAD: AVG 0.11783 MAX 0.181159 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: TIME 13335.5 LOAD: AVG 0.11783 MAX 0.181159 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.105 MB LDB: ============== END OF LOAD BALANCING =============== 13335.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13335.5 PRESSURE: 4588400 9.94217 149.888 -73.8094 149.889 114.797 -101.581 -73.8099 -101.582 -22.7217 GPRESSURE: 4588400 40.4096 183.41 4.67373 80.6163 191.458 -97.8133 -96.3327 -142.324 -27.5051 PRESSAVG: 4588400 70.4314 -18.015 20.3028 -18.0151 -22.0039 -24.1521 20.3027 -24.1521 -64.1963 GPRESSAVG: 4588400 69.7203 -18.685 19.8778 -15.591 -20.7901 -23.6157 20.1476 -25.7046 -65.1861 TIMING: 4588400 CPU: 13332.3, 0.0029507/step Wall: 13332.3, 0.0029507/step, 0.337363 hours remaining, 206.585938 MB of memory in use. ENERGY: 4588400 717.8280 2134.4407 1960.5895 125.5767 -206316.1606 17829.6030 0.0000 0.0000 34338.4746 -149209.6481 299.8864 -183548.1228 -149120.6948 299.3630 34.0058 68.1207 557543.8264 -5.2563 -5.4187 PRESSURE: 4588600 94.8141 -91.0689 55.361 -91.0679 173.067 6.88193 55.3602 6.88171 114.838 GPRESSURE: 4588600 193.542 -45.102 114.976 -55.8541 165.864 -26.3618 36.3632 -16.9287 117.1 PRESSAVG: 4588600 -37.6376 12.2857 23.402 12.2859 43.207 45.5604 23.402 45.5605 52.6716 GPRESSAVG: 4588600 -36.1724 12.4919 27.1675 11.4465 42.4866 44.167 22.8834 45.9915 52.2917 TIMING: 4588600 CPU: 13332.9, 0.00290702/step Wall: 13332.9, 0.00290702/step, 0.332208 hours remaining, 206.710938 MB of memory in use. ENERGY: 4588600 715.6085 2051.7564 1965.5396 116.6875 -206254.4820 17861.3787 0.0000 0.0000 34356.5260 -149186.9852 300.0441 -183543.5112 -149083.6766 299.6357 127.5730 158.8355 556028.9291 19.4137 19.5353 PRESSURE: 4588800 35.025 -172.399 26.1177 -172.399 188.702 57.9047 26.1168 57.9039 87.2163 GPRESSURE: 4588800 69.0756 -217.578 41.1153 -162.134 213.227 124.429 -2.29199 74.3107 128.743 PRESSAVG: 4588800 41.0708 -2.59946 -1.70049 -2.59949 -51.6117 43.7567 -1.70054 43.7568 -6.57937 GPRESSAVG: 4588800 39.9116 -4.47127 -1.97889 -0.421215 -51.4063 46.578 -1.1679 42.887 -5.04858 TIMING: 4588800 CPU: 13333.5, 0.00293061/step Wall: 13333.5, 0.00293061/step, 0.334741 hours remaining, 206.710938 MB of memory in use. ENERGY: 4588800 762.4037 2106.5461 1951.3930 108.8454 -206202.7021 17893.7214 0.0000 0.0000 34145.9343 -149233.8582 298.2049 -183379.7925 -149128.2348 298.9743 103.6478 137.0151 556502.4897 -5.7067 -5.5144 PRESSURE: 4589000 -55.9054 -70.1011 97.2444 -70.1006 51.0885 107.475 97.244 107.475 89.66 GPRESSURE: 4589000 -7.78804 -86.4371 133.714 -64.946 111.349 72.8283 63.4421 96.5542 74.9845 PRESSAVG: 4589000 -40.9431 -15.9611 49.8555 -15.9612 -22.5051 65.2406 49.8555 65.2407 82.0918 GPRESSAVG: 4589000 -41.1149 -13.0393 51.2666 -18.7424 -22.6139 63.6101 47.732 64.4574 82.2618 TIMING: 4589000 CPU: 13334, 0.00291837/step Wall: 13334, 0.00291837/step, 0.333181 hours remaining, 206.710938 MB of memory in use. ENERGY: 4589000 768.9152 2140.9607 1955.4737 117.1067 -206135.3614 17867.0266 0.0000 0.0000 34052.2022 -149233.6763 297.3864 -183285.8785 -149137.4252 299.3873 28.2810 59.5153 556750.6310 6.2145 6.1777 PRESSURE: 4589200 -10.5087 100.436 -75.6107 100.436 26.2182 48.7414 -75.61 48.7423 30.0167 GPRESSURE: 4589200 -11.0232 49.0742 -42.5536 137.885 122.832 45.2481 -139.859 107.711 24.7963 PRESSAVG: 4589200 64.5152 -38.3974 -11.1778 -38.3974 -19.5598 17.0389 -11.1778 17.0391 19.3168 GPRESSAVG: 4589200 65.7436 -40.2764 -15.3415 -37.4585 -19.2242 17.0238 -8.37241 19.5438 17.8838 TIMING: 4589200 CPU: 13334.6, 0.00291224/step Wall: 13334.6, 0.00291224/step, 0.332319 hours remaining, 206.710938 MB of memory in use. ENERGY: 4589200 760.7277 2156.8243 1944.0720 119.1130 -206486.2965 17848.8263 0.0000 0.0000 34344.3970 -149312.3362 299.9382 -183656.7332 -149212.2959 299.6795 15.2420 45.5352 555322.7204 21.4241 21.4677 PRESSURE: 4589400 315.348 63.9827 0.439152 63.9825 47.6741 -234.71 0.438775 -234.71 -37.793 GPRESSURE: 4589400 363.025 35.0383 -110.238 21.9777 51.0274 -264.679 12.4157 -191.524 19.4685 PRESSAVG: 4589400 37.5796 -10.6605 30.544 -10.6603 -30.8023 -23.6792 30.544 -23.6792 1.34109 GPRESSAVG: 4589400 37.0839 -10.3087 32.1229 -10.1756 -31.0903 -23.214 28.1141 -25.6606 2.04919 TIMING: 4589400 CPU: 13335.2, 0.00293308/step Wall: 13335.2, 0.00293308/step, 0.334534 hours remaining, 206.710938 MB of memory in use. ENERGY: 4589400 715.3827 2066.4393 1968.1509 104.5455 -206496.8582 17987.6706 0.0000 0.0000 34374.2811 -149280.3880 300.1991 -183654.6691 -149183.5515 299.8849 108.4098 144.5070 557097.5196 2.7061 2.6809 PRESSURE: 4589600 268.373 -27.6437 -65.8269 -27.643 248.96 8.59073 -65.8269 8.58989 114.014 GPRESSURE: 4589600 255.019 24.4639 -25.5965 10.6704 344.583 48.5899 -74.1682 19.7843 134.467 PRESSAVG: 4589600 -24.0456 37.2248 -20.313 37.2247 -8.79787 -21.5026 -20.313 -21.5026 50.3113 GPRESSAVG: 4589600 -24.4927 40.2089 -17.7059 35.7912 -8.83738 -20.0394 -19.5915 -21.2324 50.3517 TIMING: 4589600 CPU: 13335.8, 0.00291067/step Wall: 13335.8, 0.00291067/step, 0.331817 hours remaining, 206.710938 MB of memory in use. ENERGY: 4589600 712.0823 2117.9465 1964.3793 115.7162 -206472.1503 18098.0721 0.0000 0.0000 34269.3447 -149194.6092 299.2827 -183463.9539 -149102.7001 298.3156 210.4490 244.6898 557859.7436 5.8226 5.6739 PRESSURE: 4589800 -214.263 -70.4991 106.462 -70.4983 28.5045 172.966 106.462 172.968 -123.363 GPRESSURE: 4589800 -125.534 -70.6217 65.9302 -48.4621 33.707 189.437 136.863 150.975 -115.837 PRESSAVG: 4589800 -88.6489 11.6083 -21.4094 11.6083 60.4501 80.497 -21.4093 80.497 36.8794 GPRESSAVG: 4589800 -86.9487 10.1694 -23.8395 12.9601 59.9202 80.2752 -20.6585 81.1943 35.7955 TIMING: 4589800 CPU: 13336.4, 0.00290715/step Wall: 13336.4, 0.00290715/step, 0.331253 hours remaining, 206.710938 MB of memory in use. ENERGY: 4589800 742.5925 2122.6308 1953.5746 121.3805 -206386.8035 17778.7459 0.0000 0.0000 34293.4113 -149374.4678 299.4929 -183667.8792 -149276.7006 298.9525 -103.0405 -69.2214 559168.1868 2.8935 2.9223 PRESSURE: 4590000 7.73983 170.154 19.1913 170.153 -144.176 -116.282 19.1913 -116.282 191.937 GPRESSURE: 4590000 30.7756 124.702 34.3082 228.689 -108.425 -58.1735 -18.7223 -113.209 216.693 PRESSAVG: 4590000 -25.4605 -18.747 -9.08617 -18.747 -3.61937 8.3586 -9.08621 8.35865 36.4687 GPRESSAVG: 4590000 -26.9188 -20.2217 -9.81376 -19.0878 -1.10607 9.32883 -8.26427 7.47375 35.3641 TIMING: 4590000 CPU: 13337, 0.00292019/step Wall: 13337, 0.00292019/step, 0.332577 hours remaining, 206.710938 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: 4590000 720.7088 2084.6074 1971.2904 117.1347 -206521.5472 17996.5910 0.0000 0.0000 34271.6899 -149359.5250 299.3032 -183631.2148 -149264.6370 298.4095 18.5002 46.3480 560624.6988 2.4629 2.4464 PRESSURE: 4590200 36.6322 15.9394 229.589 15.9391 -12.5917 85.665 229.589 85.6641 158.487 GPRESSURE: 4590200 4.5794 -87.7951 215.029 30.7278 20.7738 96.3346 305.177 33.498 256.451 PRESSAVG: 4590200 -39.3772 17.093 50.806 17.093 33.3821 -4.76479 50.806 -4.76463 33.3578 GPRESSAVG: 4590200 -38.9481 17.1718 51.4251 14.8089 31.8738 -6.86408 48.8466 -3.66592 34.8438 TIMING: 4590200 CPU: 13337.5, 0.002929/step Wall: 13337.5, 0.002929/step, 0.333417 hours remaining, 206.710938 MB of memory in use. ENERGY: 4590200 729.6728 2117.9765 1946.1056 109.5824 -206247.1657 17904.0348 0.0000 0.0000 34103.9319 -149335.8618 297.8381 -183439.7937 -149244.7467 298.8010 60.8424 93.9348 559907.5516 9.1209 9.2565 PRESSURE: 4590400 92.575 -38.4121 -35.8422 -38.4113 296.212 -133.131 -35.8433 -133.131 277.274 GPRESSURE: 4590400 115.649 -40.0255 -58.4504 -99.5091 336.262 -59.2812 53.2513 -92.8289 312.235 PRESSAVG: 4590400 14.2537 31.2165 -0.463974 31.2166 -19.029 22.4689 -0.463898 22.469 4.90886 GPRESSAVG: 4590400 13.6033 31.2685 -0.587555 32.6631 -18.2657 22.1319 1.12273 23.0323 4.66049 TIMING: 4590400 CPU: 13338.1, 0.00289548/step Wall: 13338.1, 0.00289548/step, 0.329441 hours remaining, 206.710938 MB of memory in use. ENERGY: 4590400 709.0651 2034.7735 1984.8824 114.3362 -206872.0892 18286.0477 0.0000 0.0000 34257.5312 -149485.4530 299.1795 -183742.9842 -149389.8553 298.1264 222.0203 254.7154 559062.3993 0.0445 -0.0006 PRESSURE: 4590600 193.278 100.223 -210.572 100.223 170.811 57.2322 -210.573 57.2325 -26.2726 GPRESSURE: 4590600 218.274 82.3756 -147.668 101.658 188.531 111.295 -193.691 103.628 27.7589 PRESSAVG: 4590600 -12.2828 -34.0852 -21.6983 -34.0851 -18.3871 -37.9622 -21.6982 -37.9622 6.53524 GPRESSAVG: 4590600 -11.2073 -35.2766 -21.6569 -32.5676 -18.2942 -37.4717 -23.5026 -36.609 5.40943 TIMING: 4590600 CPU: 13338.7, 0.00292373/step Wall: 13338.7, 0.00292373/step, 0.332493 hours remaining, 206.710938 MB of memory in use. ENERGY: 4590600 722.7495 2058.2675 1951.3215 115.4302 -206161.4580 18012.8427 0.0000 0.0000 34007.0008 -149293.8458 296.9916 -183300.8466 -149201.1151 298.0700 112.6057 144.8548 559000.9689 -8.0449 -8.0307 PRESSURE: 4590800 25.4657 7.55074 -44.0259 7.55025 -165.726 -24.9057 -44.0264 -24.9054 148.9 GPRESSURE: 4590800 39.1977 72.9106 -33.0362 2.18378 -111.47 -127.399 -65.9206 37.2175 182.293 PRESSAVG: 4590800 -43.9552 6.08102 -0.411227 6.08099 29.175 -33.5933 -0.411325 -33.5933 29.8248 GPRESSAVG: 4590800 -45.3374 7.01209 0.584579 4.88583 29.0195 -33.2589 -1.27864 -35.5444 31.0297 TIMING: 4590800 CPU: 13339.3, 0.0029363/step Wall: 13339.3, 0.0029363/step, 0.333759 hours remaining, 206.710938 MB of memory in use. ENERGY: 4590800 710.7396 2071.7231 1968.8899 113.6695 -206051.7839 17732.6810 0.0000 0.0000 34049.0230 -149405.0578 297.3586 -183454.0808 -149316.5286 298.3412 2.8799 36.6735 556760.8637 5.0149 4.9039 PRESSURE: 4591000 104.403 109.152 -45.4011 109.152 -99.6973 -48.7112 -45.4005 -48.7104 -101.665 GPRESSURE: 4591000 61.2486 101.659 -55.5867 147.311 3.84207 -114.802 -44.5777 51.1177 -70.402 PRESSAVG: 4591000 23.1556 -21.9354 59.2249 -21.9354 22.665 -55.02 59.225 -55.0199 -33.4506 GPRESSAVG: 4591000 22.9278 -22.3359 58.986 -22.1893 22.8367 -57.4995 59.9429 -54.8492 -33.6365 TIMING: 4591000 CPU: 13339.9, 0.0029069/step Wall: 13339.9, 0.0029069/step, 0.330256 hours remaining, 206.710938 MB of memory in use. ENERGY: 4591000 754.5000 2056.4883 1967.0472 97.6575 -206518.2687 17881.3645 0.0000 0.0000 34314.0381 -149447.1730 299.6730 -183761.2111 -149349.8547 298.5423 -32.3199 -1.7705 558738.7541 4.1233 4.0427 PRESSURE: 4591200 39.8336 -71.3162 -72.4574 -71.317 -47.7588 5.28147 -72.4564 5.28151 189.415 GPRESSURE: 4591200 16.2304 -83.5559 -89.0766 -36.8279 23.5842 -65.7553 -149.439 83.3865 252.296 PRESSAVG: 4591200 -2.83697 49.7243 -15.0068 49.7243 7.78965 -58.3795 -15.0069 -58.3795 -1.10129 GPRESSAVG: 4591200 -1.84716 48.205 -16.3645 51.3797 7.3337 -57.0287 -13.5788 -58.8729 -1.73222 TIMING: 4591200 CPU: 13340.5, 0.00289286/step Wall: 13340.5, 0.00289286/step, 0.3285 hours remaining, 206.710938 MB of memory in use. ENERGY: 4591200 734.8908 2030.5296 1947.5213 107.5621 -206665.7856 17954.7303 0.0000 0.0000 34331.6312 -149558.9202 299.8267 -183890.5514 -149465.1997 297.8179 60.4967 97.3703 556749.9152 1.2838 1.2514 PRESSURE: 4591400 -193.439 35.0774 5.81185 35.0783 -1.21287 -154.112 5.81274 -154.114 -58.759 GPRESSURE: 4591400 -187.572 44.4572 86.6967 56.0317 32.8656 -185.506 56.8178 -151.92 -11.4254 PRESSAVG: 4591400 -9.50042 -9.58579 13.1158 -9.58576 52.1935 -26.3442 13.1158 -26.3442 -22.1647 GPRESSAVG: 4591400 -10.1607 -9.00233 14.961 -9.96258 51.8806 -26.4032 13.592 -25.937 -21.9022 TIMING: 4591400 CPU: 13341, 0.00288155/step Wall: 13341, 0.00288155/step, 0.327056 hours remaining, 206.710938 MB of memory in use. ENERGY: 4591400 733.2432 2000.1743 1979.8390 111.0508 -205974.2340 17623.5814 0.0000 0.0000 34187.5735 -149338.7719 298.5686 -183526.3454 -149239.9094 298.6683 -84.4704 -55.3772 558771.6670 6.8428 6.6059 PRESSURE: 4591600 -147.962 -119.536 60.1023 -119.537 13.6879 57.463 60.1001 57.4635 -437.1 GPRESSURE: 4591600 -103.919 -123.201 3.46276 -155.715 50.8233 94.8662 56.6505 -41.4632 -422.019 PRESSAVG: 4591600 5.19436 -49.0449 -1.9198 -49.045 -5.32966 -20.1621 -1.91986 -20.1619 -14.8166 GPRESSAVG: 4591600 4.66345 -48.9524 -2.44192 -49.7763 -4.78336 -18.5957 -2.71001 -20.6625 -15.1465 TIMING: 4591600 CPU: 13341.6, 0.00288561/step Wall: 13341.6, 0.00288561/step, 0.327356 hours remaining, 206.710938 MB of memory in use. ENERGY: 4591600 747.2747 2143.1722 1942.8555 105.5252 -206281.0444 17733.3563 0.0000 0.0000 34309.5856 -149299.2749 299.6341 -183608.8605 -149203.1875 298.8740 -190.4580 -158.3716 557936.8847 -4.9840 -5.0888 PRESSURE: 4591800 16.6582 25.7469 80.1944 25.7464 -111.963 -2.12253 80.1943 -2.12176 49.4426 GPRESSURE: 4591800 25.274 -40.2775 -25.0011 75.5361 -59.8071 -1.07484 39.3779 23.3381 77.9805 PRESSAVG: 4591800 -11.6296 14.7087 -42.8648 14.7087 55.5076 7.74511 -42.8648 7.7452 -45.8737 GPRESSAVG: 4591800 -11.802 15.2737 -42.8645 13.4509 55.4734 6.00744 -42.4644 6.91878 -45.9855 TIMING: 4591800 CPU: 13342.2, 0.00289405/step Wall: 13342.2, 0.00289405/step, 0.328153 hours remaining, 206.710938 MB of memory in use. ENERGY: 4591800 726.6612 2106.5229 1930.4546 111.9952 -206213.8658 17791.9777 0.0000 0.0000 34188.4468 -149357.8074 298.5762 -183546.2541 -149261.6192 297.9358 -15.2873 14.4825 558282.4978 -0.6652 -0.7714 PRESSURE: 4592000 -275.6 -42.2741 22.608 -42.2749 -10.4287 25.0388 22.6084 25.0398 234.798 GPRESSURE: 4592000 -237.091 -62.7654 0.493428 -77.5434 42.9428 19.6846 21.7489 58.4339 237.809 PRESSAVG: 4592000 7.73386 20.0169 -20.3105 20.0169 32.3338 26.0472 -20.3106 26.0471 37.695 GPRESSAVG: 4592000 7.96339 20.2821 -21.4439 20.8934 32.069 25.8728 -20.0044 27.7347 37.9837 TIMING: 4592000 CPU: 13342.8, 0.00289049/step Wall: 13342.8, 0.00289049/step, 0.327589 hours remaining, 206.710938 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: 4592000 729.4047 2085.8233 1940.3759 125.4137 -206366.2685 17817.5362 0.0000 0.0000 34595.1765 -149072.5382 302.1283 -183667.7147 -148979.8935 299.1902 -17.0769 14.5535 556988.7877 25.9209 26.0054 PRESSURE: 4592200 -138.077 0.750042 49.1038 0.74945 -42.0647 -20.1239 49.1025 -20.1251 -111.628 GPRESSURE: 4592200 -146.87 -58.8479 -38.3917 50.7927 28.6786 -0.813332 82.6086 40.7017 -84.1616 PRESSAVG: 4592200 -103.204 -14.0414 13.1752 -14.0414 73.7604 -31.9043 13.1753 -31.9043 41.0124 GPRESSAVG: 4592200 -102.631 -13.8917 11.4438 -14.4371 73.2138 -32.2628 14.7247 -32.5257 39.9182 TIMING: 4592200 CPU: 13343.4, 0.00290523/step Wall: 13343.4, 0.00290523/step, 0.329098 hours remaining, 206.710938 MB of memory in use. ENERGY: 4592200 753.6072 2046.8321 1965.1231 117.8649 -205702.9552 17587.0226 0.0000 0.0000 34215.0683 -149017.4371 298.8087 -183232.5054 -148919.8294 299.9368 -97.2566 -67.4511 558493.5371 3.8564 3.5004 LDB: ============= START OF LOAD BALANCING ============== 13346.8 LDB: ============== END OF LOAD BALANCING =============== 13346.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13346.8 LDB: ============= START OF LOAD BALANCING ============== 13347.1 LDB: Largest compute 4848 load 0.030254 is 25.7% of average load 0.117776 LDB: Average compute 0.001734 is 1.5% of average load 0.117776 LDB: TIME 13347.1 LOAD: AVG 0.117776 MAX 0.178703 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 13347.1 LOAD: AVG 0.117776 MAX 0.178703 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 13347.1 LOAD: AVG 0.117776 MAX 0.178703 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13347.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13347.1 PRESSURE: 4592400 -153.96 -2.76927 -25.4356 -2.76828 87.7626 92.599 -25.4338 92.5986 -139.818 GPRESSURE: 4592400 -160.305 -100.824 -62.5773 45.1635 117.613 43.6843 -91.7663 114.96 -74.6079 PRESSAVG: 4592400 -75.1173 -45.9209 8.99576 -45.9209 -62.6221 49.2909 8.99565 49.2909 103.757 GPRESSAVG: 4592400 -74.8375 -46.134 9.52499 -46.6872 -62.4512 48.3026 7.18576 50.8767 103.434 TIMING: 4592400 CPU: 13343.9, 0.00296292/step Wall: 13343.9, 0.00296293/step, 0.335469 hours remaining, 208.078125 MB of memory in use. ENERGY: 4592400 730.9469 2098.9682 1947.8980 121.5311 -206105.3659 17797.5311 0.0000 0.0000 34391.6093 -149016.8812 300.3505 -183408.4905 -148919.6223 299.8681 -68.6718 -39.1002 560121.8209 -11.3274 -11.2849 PRESSURE: 4592600 146.215 -65.854 -224.446 -65.853 -95.8899 -116.94 -224.445 -116.94 -105.129 GPRESSURE: 4592600 180.131 -24.0357 -217.899 -12.1144 -53.8224 -137.454 -140.925 -65.4415 -81.9561 PRESSAVG: 4592600 -32.6308 -44.0788 4.32938 -44.0789 -31.1683 -50.657 4.32931 -50.6569 10.5637 GPRESSAVG: 4592600 -32.54 -44.171 6.06704 -44.5249 -30.989 -45.509 4.71976 -52.9244 10.8785 TIMING: 4592600 CPU: 13344.5, 0.00291469/step Wall: 13344.5, 0.00291469/step, 0.329846 hours remaining, 208.281250 MB of memory in use. ENERGY: 4592600 731.1115 2123.5745 1959.8143 120.2053 -205874.7831 17681.2110 0.0000 0.0000 34241.0177 -149017.8488 299.0353 -183258.8665 -148924.0707 299.7279 -18.2680 14.7843 557774.3775 -17.7451 -17.5502 PRESSURE: 4592800 -63.496 150.331 82.9802 150.33 126.408 81.1509 82.9805 81.1512 299.306 GPRESSURE: 4592800 -51.1839 107.637 131.03 104.173 151.643 60.7916 107.202 82.5119 363.109 PRESSAVG: 4592800 -41.042 31.7046 -20.5859 31.7047 12.7 -52.1105 -20.586 -52.1105 34.6122 GPRESSAVG: 4592800 -41.5352 31.9626 -21.2016 33.5322 12.9861 -56.297 -21.9268 -49.841 34.6446 TIMING: 4592800 CPU: 13345.1, 0.00291916/step Wall: 13345.1, 0.00291916/step, 0.330189 hours remaining, 208.281250 MB of memory in use. ENERGY: 4592800 741.3196 2106.3456 1935.6530 99.7017 -206301.8161 18042.8602 0.0000 0.0000 34348.3866 -149027.5494 299.9730 -183375.9360 -148929.3465 299.0341 120.7394 154.5228 557707.6308 2.0901 2.0318 PRESSURE: 4593000 -99.0074 131.404 47.3468 131.404 121.323 -51.0945 47.3481 -51.0953 48.7772 GPRESSURE: 4593000 5.02861 132.151 81.9843 110.627 129.997 -152.278 -0.971915 -96.1157 31.8583 PRESSAVG: 4593000 -43.2713 6.50505 -49.6301 6.50501 -8.9541 5.33816 -49.6301 5.33815 69.2658 GPRESSAVG: 4593000 -44.205 5.79042 -49.6481 6.16411 -10.611 7.69408 -50.1816 2.93374 71.4307 TIMING: 4593000 CPU: 13345.7, 0.00290424/step Wall: 13345.7, 0.00290424/step, 0.32834 hours remaining, 208.281250 MB of memory in use. ENERGY: 4593000 727.4580 2040.0279 1972.1224 115.1518 -206017.5185 17780.8438 0.0000 0.0000 34536.2590 -148845.6556 301.6137 -183381.9146 -148745.8133 299.9968 23.6975 55.6279 556595.2165 5.6801 5.5382 PRESSURE: 4593200 106.129 63.0593 -208.136 63.0614 -224.604 20.3421 -208.135 20.3408 -28.2744 GPRESSURE: 4593200 181.933 37.5871 -130.833 78.7245 -207.093 49.1778 -185.669 10.7845 -34.0515 PRESSAVG: 4593200 56.7221 10.9741 32.0807 10.9742 -38.567 37.3699 32.0808 37.3699 -25.7762 GPRESSAVG: 4593200 57.5973 10.8923 30.0131 12.4651 -37.6499 37.4177 35.3487 37.7092 -27.3374 TIMING: 4593200 CPU: 13346.3, 0.0028888/step Wall: 13346.3, 0.0028888/step, 0.326435 hours remaining, 208.281250 MB of memory in use. ENERGY: 4593200 713.4617 2095.6822 1947.1159 109.4247 -205475.1926 17688.6839 0.0000 0.0000 34133.1223 -148787.7020 298.0930 -182920.8243 -148694.6829 300.0165 -48.9163 -19.7371 558374.5565 -2.5404 -2.4633 PRESSURE: 4593400 -143.359 -145.216 -39.4039 -145.216 -149.374 -115.055 -39.4041 -115.055 -243.898 GPRESSURE: 4593400 -123.783 -107.066 -58.4248 -145.109 -146.525 -130.784 -35.6552 -45.2032 -163.107 PRESSAVG: 4593400 -20.5139 -64.2435 -15.9946 -64.2436 -89.6329 -40.6689 -15.9946 -40.669 33.7354 GPRESSAVG: 4593400 -21.2211 -61.9311 -14.334 -64.8798 -89.7171 -41.1453 -18.4102 -40.621 34.7789 TIMING: 4593400 CPU: 13346.8, 0.00289658/step Wall: 13346.8, 0.00289658/step, 0.327153 hours remaining, 208.281250 MB of memory in use. ENERGY: 4593400 750.8074 2092.4740 1930.8304 112.2894 -205918.9229 17674.2313 0.0000 0.0000 34463.6893 -148894.6011 300.9800 -183358.2904 -148797.4356 300.0203 -178.8770 -144.4716 558665.8333 -25.4705 -25.3864 PRESSURE: 4593600 -76.3782 -68.5949 64.7417 -68.5943 -99.6694 232.944 64.7404 232.944 1.06271 GPRESSURE: 4593600 -16.0574 -25.8284 83.5956 -174.197 -40.514 183.87 68.9953 190.044 -28.1419 PRESSAVG: 4593600 -4.15884 28.0709 -1.25161 28.0709 -46.7486 -33.4407 -1.2516 -33.4406 42.0877 GPRESSAVG: 4593600 -3.03516 25.3474 -1.42131 27.1127 -47.5996 -34.1052 0.470137 -30.8809 42.1095 TIMING: 4593600 CPU: 13347.4, 0.00289235/step Wall: 13347.4, 0.00289235/step, 0.326514 hours remaining, 208.281250 MB of memory in use. ENERGY: 4593600 723.4507 2078.2612 1959.9142 116.5592 -205906.9996 17787.2300 0.0000 0.0000 34429.8516 -148811.7326 300.6845 -183241.5843 -148712.3932 300.0695 -58.3283 -28.2378 558782.8193 -2.9399 -2.8417 PRESSURE: 4593800 -36.9723 -42.0687 91.9252 -42.0671 118.375 -15.0902 91.9251 -15.0893 77.3352 GPRESSURE: 4593800 34.1459 28.2867 189.474 -25.1429 101.241 -60.0124 156.085 -3.50891 125.329 PRESSAVG: 4593800 -35.1237 42.4032 49.5188 42.4032 5.90439 22.4724 49.5187 22.4724 49.3936 GPRESSAVG: 4593800 -36.7384 43.1047 50.8698 43.7952 6.45768 23.365 47.9261 20.9118 50.4131 TIMING: 4593800 CPU: 13348, 0.00288214/step Wall: 13348, 0.00288214/step, 0.325202 hours remaining, 208.281250 MB of memory in use. ENERGY: 4593800 763.9025 2124.4382 1939.4813 110.0434 -205769.3580 17804.7028 0.0000 0.0000 34271.1488 -148755.6408 299.2985 -183026.7896 -148660.0440 300.3436 52.9127 86.9052 558943.9643 6.7248 6.7108 PRESSURE: 4594000 -270.304 -172.685 -185.163 -172.685 32.3522 37.3029 -185.164 37.3016 68.858 GPRESSURE: 4594000 -262.08 -197.414 -166.799 -144.426 84.3427 11.9613 -152.186 77.7323 106.634 PRESSAVG: 4594000 -63.6246 -25.3961 11.3301 -25.3962 36.7671 37.5896 11.3301 37.5896 7.11075 GPRESSAVG: 4594000 -61.3315 -25.4843 11.2023 -26.5968 37.3629 39.6596 9.87281 36.9003 4.41339 TIMING: 4594000 CPU: 13348.6, 0.00289992/step Wall: 13348.6, 0.00289992/step, 0.327046 hours remaining, 208.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4594000 755.5353 2079.3447 1958.9409 119.2897 -205969.8394 17807.1408 0.0000 0.0000 34345.2408 -148904.3472 299.9455 -183249.5880 -148802.0366 300.4684 -56.3645 -23.7011 559945.3287 -6.5822 -6.5184 PRESSURE: 4594200 169.1 -15.7376 182.535 -15.7381 -87.6864 -47.7084 182.535 -47.7076 -484.852 GPRESSURE: 4594200 223.656 82.0152 247.12 -14.5343 -92.6356 -19.7304 100.714 -81.4989 -437.138 PRESSAVG: 4594200 -57.0989 -69.7916 22.9973 -69.7915 -8.05998 5.62924 22.9974 5.62928 42.3634 GPRESSAVG: 4594200 -57.0824 -72.0487 24.3888 -67.3943 -9.46377 4.19392 22.7968 5.99728 43.7262 TIMING: 4594200 CPU: 13349.2, 0.00288261/step Wall: 13349.2, 0.00288262/step, 0.324935 hours remaining, 208.281250 MB of memory in use. ENERGY: 4594200 769.3672 2110.7117 1961.8183 103.3164 -205848.3821 17736.1526 0.0000 0.0000 34148.4605 -149018.5555 298.2270 -183167.0160 -148934.3349 299.7685 -134.4794 -102.0392 559914.4959 -7.5985 -7.6066 PRESSURE: 4594400 -47.1044 -147.308 0.966935 -147.309 -2.35843 -57.3828 0.967489 -57.3828 -125.641 GPRESSURE: 4594400 -44.4094 -143.47 -16.4887 -39.2425 22.328 -120.897 88.5322 -14.4326 -50.7303 PRESSAVG: 4594400 4.52044 -10.5514 -30.5381 -10.5515 -23.0629 -12.3469 -30.538 -12.347 27.7572 GPRESSAVG: 4594400 2.83342 -7.25861 -31.9696 -11.4982 -21.509 -15.1787 -26.834 -11.5559 27.6814 TIMING: 4594400 CPU: 13349.7, 0.00288696/step Wall: 13349.7, 0.00288696/step, 0.325264 hours remaining, 208.281250 MB of memory in use. ENERGY: 4594400 758.6624 2066.0909 1976.8415 102.2881 -205707.8845 17631.6263 0.0000 0.0000 34254.5025 -148917.8728 299.1531 -183172.3753 -148815.0058 300.0487 -58.3679 -24.2706 558891.2066 3.0716 3.0019 PRESSURE: 4594600 -167.463 -51.83 -52.5088 -51.8298 164.46 -42.8968 -52.5093 -42.8952 436.722 GPRESSURE: 4594600 -95.0089 -41.3427 -79.9352 -41.6133 194.284 39.8505 19.5964 -36.205 425.682 PRESSAVG: 4594600 -27.8228 -25.594 32.983 -25.5941 -3.0035 51.8479 32.983 51.848 16.7566 GPRESSAVG: 4594600 -27.0479 -25.5572 32.3453 -26.6867 -4.03686 53.8529 31.342 50.1366 16.564 TIMING: 4594600 CPU: 13350.3, 0.00288759/step Wall: 13350.3, 0.00288759/step, 0.325175 hours remaining, 208.281250 MB of memory in use. ENERGY: 4594600 747.3049 2132.6746 1985.8820 104.7047 -206325.6257 17984.5155 0.0000 0.0000 34356.3209 -149014.2230 300.0423 -183370.5440 -148922.1013 299.2968 144.5730 174.9858 556930.0776 -4.6899 -4.8403 PRESSURE: 4594800 59.7762 103.904 9.57749 103.903 -12.7494 -61.6933 9.57854 -61.6946 21.9435 GPRESSURE: 4594800 45.7382 130.499 93.1552 46.0395 28.628 -122.776 54.4642 -20.0598 92.3322 PRESSAVG: 4594800 -29.3332 -5.85315 -21.7389 -5.85327 -14.6441 -20.9211 -21.7389 -20.9211 112.605 GPRESSAVG: 4594800 -30.3493 -5.46927 -21.3405 -6.71956 -13.9873 -20.1319 -22.2743 -19.8113 113.519 TIMING: 4594800 CPU: 13350.9, 0.00289893/step Wall: 13350.9, 0.00289893/step, 0.32629 hours remaining, 208.281250 MB of memory in use. ENERGY: 4594800 720.5595 1980.6557 1964.1727 118.7061 -206327.3700 17853.0634 0.0000 0.0000 34585.6385 -149104.5740 302.0450 -183690.2125 -149001.2987 299.5674 22.9901 55.5662 557462.5116 22.8760 23.0609 PRESSURE: 4595000 87.2075 130.382 12.1371 130.382 12.1 31.1945 12.1373 31.1938 -127.473 GPRESSURE: 4595000 28.8462 28.099 13.9082 172.719 99.1936 -20.917 49.0745 -33.6578 -56.0175 PRESSAVG: 4595000 6.54743 -32.9887 0.382787 -32.9887 -54.1453 -57.5874 0.382844 -57.5874 34.2615 GPRESSAVG: 4595000 7.76514 -34.2606 0.20697 -30.5881 -55.2697 -58.3333 -0.080702 -58.816 34.2042 TIMING: 4595000 CPU: 13351.5, 0.00290904/step Wall: 13351.5, 0.00290904/step, 0.327267 hours remaining, 208.281250 MB of memory in use. ENERGY: 4595000 747.2334 2042.7311 1981.4572 107.5472 -206058.3180 17843.9495 0.0000 0.0000 34132.2811 -149203.1185 298.0857 -183335.3997 -149106.9637 299.7224 -9.3885 24.0074 558158.5700 -4.4454 -4.4334 PRESSURE: 4595200 -202.523 -89.8861 -89.2382 -89.8861 -34.3374 -78.4671 -89.2382 -78.4665 41.04 GPRESSURE: 4595200 -165.455 -90.4328 -79.1307 -39.5367 24.6599 -82.9272 -31.1117 -86.8505 37.2208 PRESSAVG: 4595200 26.0009 -0.152952 -2.78694 -0.152876 9.97279 -8.897 -2.78686 -8.89692 -34.5201 GPRESSAVG: 4595200 25.5915 -0.441921 -3.04513 -0.168036 9.34269 -9.58451 -0.43493 -6.78893 -33.9258 TIMING: 4595200 CPU: 13352.1, 0.00290484/step Wall: 13352.1, 0.00290484/step, 0.326633 hours remaining, 208.425781 MB of memory in use. ENERGY: 4595200 781.7376 2105.9641 2005.4481 108.4096 -206417.2712 17896.1470 0.0000 0.0000 34219.4489 -149300.1160 298.8470 -183519.5649 -149205.1452 299.0140 -65.2734 -34.5246 558182.8299 0.4845 0.3361 PRESSURE: 4595400 223.036 -204.709 176.209 -204.709 100.408 237.302 176.21 237.303 277.004 GPRESSURE: 4595400 270.301 -103.903 125.629 -212.851 112.372 315.343 223.479 182.62 312.435 PRESSAVG: 4595400 32.0626 -21.8984 4.73539 -21.8983 1.57199 15.439 4.73537 15.439 9.38547 GPRESSAVG: 4595400 31.6845 -22.8475 6.01536 -21.6045 2.8109 17.2464 3.07382 13.5154 8.15118 TIMING: 4595400 CPU: 13352.6, 0.00290422/step Wall: 13352.6, 0.00290422/step, 0.326402 hours remaining, 208.425781 MB of memory in use. ENERGY: 4595400 741.7457 2083.6232 1972.8883 105.9763 -206609.1684 18207.9084 0.0000 0.0000 34194.5816 -149302.4448 298.6298 -183497.0264 -149210.7118 298.8487 200.1492 231.7025 558388.3687 14.3400 14.2155 PRESSURE: 4595600 155.201 -84.2974 46.4978 -84.2975 -236.596 77.2554 46.4986 77.2565 -202.991 GPRESSURE: 4595600 136.57 -85.2946 38.4713 -36.818 -182.629 134.516 42.6464 102.519 -148.885 PRESSAVG: 4595600 25.2704 -33.8682 -16.6298 -33.8683 3.61508 11.8751 -16.6298 11.8753 -5.15992 GPRESSAVG: 4595600 25.2075 -32.4885 -15.1239 -35.5753 3.74467 12.9321 -17.7518 12.247 -4.67366 TIMING: 4595600 CPU: 13353.2, 0.00289252/step Wall: 13353.2, 0.00289252/step, 0.324926 hours remaining, 208.425781 MB of memory in use. ENERGY: 4595600 749.4918 2051.5505 1924.1998 121.0207 -206019.4110 17679.6982 0.0000 0.0000 34174.1849 -149319.2651 298.4517 -183493.4500 -149214.7586 298.7291 -94.7953 -64.9812 560126.6723 7.9085 8.0928 PRESSURE: 4595800 -65.6611 155.308 -4.33633 155.307 -187.42 1.63522 -4.33643 1.63458 -144.547 GPRESSURE: 4595800 -88.8331 175.876 47.5281 160.576 -119.432 17.7098 55.9215 -87.7115 -99.8231 PRESSAVG: 4595800 5.67312 -47.2698 -19.5599 -47.2698 -13.0935 -20.8466 -19.5599 -20.8466 -10.8246 GPRESSAVG: 4595800 6.96702 -48.7915 -20.559 -47.0719 -13.2646 -20.821 -17.6228 -22.39 -11.6711 TIMING: 4595800 CPU: 13353.8, 0.00287324/step Wall: 13353.8, 0.00287324/step, 0.322601 hours remaining, 208.425781 MB of memory in use. ENERGY: 4595800 787.8014 2041.1686 1950.3250 104.3831 -206518.3217 17872.0607 0.0000 0.0000 34446.8216 -149315.7612 300.8327 -183762.5828 -149213.7726 298.2324 -132.5427 -102.6960 558330.5631 -6.0817 -5.9895 PRESSURE: 4596000 132.683 38.0209 -15.1875 38.0215 -14.7806 90.6866 -15.1877 90.685 -122.125 GPRESSURE: 4596000 199.475 129.698 -46.4703 149.066 -29.0017 53.4772 3.72293 114.18 -83.8497 PRESSAVG: 4596000 84.7131 53.9977 -34.749 53.9976 -36.5446 2.67979 -34.749 2.67988 -34.7196 GPRESSAVG: 4596000 83.5465 56.1759 -35.6035 52.399 -36.7239 1.50529 -35.1097 5.09321 -33.0605 TIMING: 4596000 CPU: 13354.4, 0.00289336/step Wall: 13354.4, 0.00289336/step, 0.3247 hours remaining, 208.425781 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: 4596000 744.9542 2029.6914 1958.1083 115.8307 -206631.6823 17948.7150 0.0000 0.0000 34336.3996 -149497.9831 299.8683 -183834.3826 -149399.2028 298.9560 -1.4073 28.8744 556115.7588 4.4830 4.5874 PRESSURE: 4596200 -253.218 112.552 44.4111 112.555 -236.829 128.423 44.4113 128.423 144.949 GPRESSURE: 4596200 -184.49 102.1 30.5872 140.628 -242.584 89.441 75.5295 155.026 174.451 PRESSAVG: 4596200 -23.3156 26.8143 -20.282 26.8143 38.4013 -1.10221 -20.282 -1.10231 6.25003 GPRESSAVG: 4596200 -21.7392 24.463 -18.984 28.7247 39.2157 0.180551 -21.1837 -1.29457 4.23682 TIMING: 4596200 CPU: 13354.9, 0.00288873/step Wall: 13354.9, 0.00288874/step, 0.32402 hours remaining, 208.425781 MB of memory in use. ENERGY: 4596200 713.6749 2110.6358 1930.8089 104.8910 -206110.5954 17576.6887 0.0000 0.0000 34072.8609 -149601.0351 297.5668 -183673.8960 -149511.1085 298.4836 -115.0328 -84.2074 557139.8616 7.1119 7.2378 LDB: ============= START OF LOAD BALANCING ============== 13358.4 LDB: ============== END OF LOAD BALANCING =============== 13358.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13358.4 LDB: ============= START OF LOAD BALANCING ============== 13358.7 LDB: Largest compute 4848 load 0.030228 is 25.6% of average load 0.117875 LDB: Average compute 0.001729 is 1.5% of average load 0.117875 LDB: TIME 13358.7 LOAD: AVG 0.117875 MAX 0.180239 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.793 MB LDB: TIME 13358.7 LOAD: AVG 0.117875 MAX 0.180239 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: TIME 13358.7 LOAD: AVG 0.117875 MAX 0.180239 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13358.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13358.7 PRESSURE: 4596400 -260.577 54.7405 98.5315 54.7406 -250.629 -81.0795 98.5319 -81.0776 -20.6186 GPRESSURE: 4596400 -232.515 142.525 125.494 31.7503 -228.984 -95.6922 61.4259 -14.9539 36.7247 PRESSAVG: 4596400 -30.497 -24.2355 -83.6177 -24.2356 -39.2286 40.0222 -83.6177 40.0222 65.4673 GPRESSAVG: 4596400 -31.4202 -25.5731 -85.8084 -23.4238 -39.8604 38.7312 -82.8756 40.5645 66.1474 TIMING: 4596400 CPU: 13355.5, 0.00296207/step Wall: 13355.5, 0.00296207/step, 0.332081 hours remaining, 206.851562 MB of memory in use. ENERGY: 4596400 736.4665 2103.8810 1937.7635 125.2153 -206349.9417 17585.7251 0.0000 0.0000 34145.2810 -149715.6092 298.1992 -183860.8903 -149617.3180 297.7585 -177.2749 -141.5916 556813.8901 -1.4194 -1.7111 PRESSURE: 4596600 -83.7082 57.3631 70.7103 57.3639 182.931 224.453 70.7106 224.453 -199.348 GPRESSURE: 4596600 -49.4257 49.3796 30.7461 49.5464 193.915 290.772 66.1326 156.416 -160.48 PRESSAVG: 4596600 -55.6922 -5.39741 6.54609 -5.39736 30.3727 30.7284 6.54609 30.7285 -53.9332 GPRESSAVG: 4596600 -55.9888 -3.18627 8.11267 -5.38251 30.9215 31.9528 6.38644 29.7187 -53.2332 TIMING: 4596600 CPU: 13356.1, 0.00289566/step Wall: 13356.1, 0.00289566/step, 0.324475 hours remaining, 207.312500 MB of memory in use. ENERGY: 4596600 783.7332 2083.0419 1956.5684 107.0869 -206519.0871 17919.3669 0.0000 0.0000 34196.3408 -149472.9490 298.6451 -183669.2898 -149381.4800 298.1593 -33.3750 -5.3303 555880.6756 -26.4176 -26.1002 PRESSURE: 4596800 -120.17 -131.447 38.9206 -131.448 -250.108 34.6129 38.9195 34.6112 -254.983 GPRESSURE: 4596800 -108.086 -173.09 21.5968 -56.2565 -204.079 151.199 72.1883 102.278 -235.447 PRESSAVG: 4596800 -21.2265 50.0243 65.5512 50.0243 27.1818 23.338 65.5512 23.3381 -2.63937 GPRESSAVG: 4596800 -20.0798 50.1072 65.7481 48.983 25.6855 22.3058 63.2649 23.8343 -2.18952 TIMING: 4596800 CPU: 13356.7, 0.00290194/step Wall: 13356.7, 0.00290194/step, 0.325018 hours remaining, 207.312500 MB of memory in use. ENERGY: 4596800 762.1215 2111.5554 1973.5402 104.3449 -206337.5232 17468.4364 0.0000 0.0000 34349.9172 -149567.6075 299.9864 -183917.5247 -149472.3171 298.2082 -208.4203 -182.5372 556398.6685 1.1053 1.1387 PRESSURE: 4597000 -44.8296 75.3849 52.2029 75.3849 -4.39635 -64.6917 52.2029 -64.6924 -18.1833 GPRESSURE: 4597000 26.4805 99.6161 123.363 11.4251 32.3198 -110.677 -24.8652 -143.148 -25.1046 PRESSAVG: 4597000 21.1922 -6.84867 10.4371 -6.84874 17.8633 -18.828 10.437 -18.828 -14.8372 GPRESSAVG: 4597000 21.6561 -6.2136 10.0484 -6.35393 19.6076 -19.2089 11.6511 -19.1444 -16.796 TIMING: 4597000 CPU: 13357.3, 0.00288743/step Wall: 13357.3, 0.00288743/step, 0.323232 hours remaining, 207.312500 MB of memory in use. ENERGY: 4597000 784.1369 2104.0819 2020.4467 111.0355 -206538.8598 17908.0567 0.0000 0.0000 34166.8549 -149444.2472 298.3876 -183611.1021 -149345.1924 299.1636 -22.4698 11.2319 556004.9295 8.0728 8.1559 PRESSURE: 4597200 -200.772 26.2824 38.1329 26.2812 -12.5034 127.156 38.1338 127.156 -156.046 GPRESSURE: 4597200 -74.065 16.9809 144.952 43.0529 -8.28051 113.22 65.6843 160.58 -196.653 PRESSAVG: 4597200 -11.6407 -23.4241 69.6332 -23.4242 22.7482 10.9439 69.6331 10.9439 -30.7026 GPRESSAVG: 4597200 -11.6087 -24.6178 70.7932 -24.0596 21.4848 11.986 70.8964 11.7039 -29.3521 TIMING: 4597200 CPU: 13357.9, 0.00289461/step Wall: 13357.9, 0.00289461/step, 0.323875 hours remaining, 207.421875 MB of memory in use. ENERGY: 4597200 734.4060 2076.7053 1973.0574 127.6513 -206428.5389 17825.6333 0.0000 0.0000 34190.7727 -149500.3128 298.5965 -183691.0855 -149401.2928 298.7765 -123.1073 -92.9995 557710.1689 -6.5317 -6.4920 PRESSURE: 4597400 -326.556 51.8196 74.9879 51.8186 -242.199 -86.0083 74.9884 -86.0096 -279.594 GPRESSURE: 4597400 -257.695 73.5687 51.2578 36.3599 -276.039 -147.817 144.05 80.1168 -221.382 PRESSAVG: 4597400 63.0588 -16.7512 4.12053 -16.7512 43.4285 64.7154 4.12047 64.7153 -103.956 GPRESSAVG: 4597400 61.7697 -18.007 2.56692 -15.3863 44.029 64.4347 3.46723 63.4336 -103.858 TIMING: 4597400 CPU: 13358.4, 0.00287599/step Wall: 13358.4, 0.00287599/step, 0.321631 hours remaining, 207.421875 MB of memory in use. ENERGY: 4597400 786.0550 2101.7288 1971.2332 111.3997 -206185.9524 17651.3947 0.0000 0.0000 33940.0276 -149624.1135 296.4067 -183564.1411 -149530.3977 298.5559 -282.7830 -251.7053 558237.6282 0.8439 0.6470 PRESSURE: 4597600 -183.948 -117.431 48.4591 -117.431 -174.313 167.062 48.4584 167.062 -64.3273 GPRESSURE: 4597600 -172.512 -167.197 94.26 -196.847 -88.0159 193.147 94.7213 242.729 -56.3266 PRESSAVG: 4597600 47.7476 34.0584 33.1079 34.0584 -35.3942 44.8222 33.1079 44.8222 -50.7921 GPRESSAVG: 4597600 47.3336 35.6896 32.7204 32.6042 -34.8137 44.4381 34.1719 44.7192 -50.9688 TIMING: 4597600 CPU: 13359, 0.00289839/step Wall: 13359, 0.00289839/step, 0.323975 hours remaining, 207.421875 MB of memory in use. ENERGY: 4597600 745.9632 2101.7555 1944.5607 121.3632 -206346.1349 17711.4706 0.0000 0.0000 34179.1036 -149541.9182 298.4946 -183721.0217 -149443.3297 298.4834 -140.8629 -105.6183 557685.1625 -12.8129 -12.8163 PRESSURE: 4597800 -206.384 143.777 45.4006 143.777 15.0365 -95.3167 45.401 -95.3171 99.2653 GPRESSURE: 4597800 -190.276 82.7627 84.0122 159.631 116.038 -81.4957 -28.3387 -42.3313 86.4818 PRESSAVG: 4597800 -67.7693 -8.0506 23.0258 -8.05057 46.9725 -0.808516 23.0259 -0.808577 -17.9181 GPRESSAVG: 4597800 -67.451 -8.97242 25.6593 -6.00161 46.4488 -1.35679 20.2761 1.37423 -17.3997 TIMING: 4597800 CPU: 13359.6, 0.00290898/step Wall: 13359.6, 0.00290898/step, 0.324998 hours remaining, 207.421875 MB of memory in use. ENERGY: 4597800 754.5695 2114.6700 1957.3269 107.8841 -206324.9149 17768.8241 0.0000 0.0000 34215.2001 -149406.4403 298.8099 -183621.6404 -149314.2313 298.5448 -30.6939 4.0811 556863.3292 -12.9050 -12.8006 PRESSURE: 4598000 -287.62 206.438 30.4682 206.439 -318.215 53.8928 30.4678 53.8922 -331.367 GPRESSURE: 4598000 -276.922 190.458 -55.4187 128.976 -284.556 34.3424 56.4825 34.4304 -272.789 PRESSAVG: 4598000 37.293 -4.98828 20.7088 -4.98832 -44.8333 37.9707 20.7088 37.9707 -35.0251 GPRESSAVG: 4598000 38.3748 -3.34993 20.1042 -6.50814 -44.7649 36.1656 21.3872 36.4279 -35.5171 TIMING: 4598000 CPU: 13360.2, 0.00289374/step Wall: 13360.2, 0.00289374/step, 0.323135 hours remaining, 207.421875 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: 4598000 783.5705 2096.8103 1979.4119 123.8641 -206141.8436 17513.4728 0.0000 0.0000 34280.3554 -149364.3587 299.3789 -183644.7141 -149272.2179 299.1221 -312.4009 -278.0893 557781.1561 -14.1884 -13.9691 PRESSURE: 4598200 -47.4524 187.313 132.876 187.312 -293.827 61.4452 132.877 61.4444 -4.66467 GPRESSURE: 4598200 -95.32 148.98 190.844 189.905 -264.399 32.6595 111.734 70.6473 103.735 PRESSAVG: 4598200 -1.68167 -0.971167 -25.4175 -0.971207 12.3264 -2.95378 -25.4174 -2.9538 -44.7261 GPRESSAVG: 4598200 -2.96953 -2.61739 -25.7602 1.21037 13.1444 -1.73133 -24.456 -1.84803 -44.1205 TIMING: 4598200 CPU: 13360.8, 0.00293297/step Wall: 13360.8, 0.00293297/step, 0.327352 hours remaining, 207.421875 MB of memory in use. ENERGY: 4598200 715.3853 2091.7026 1970.0732 118.3446 -206448.7963 17623.9995 0.0000 0.0000 34266.9527 -149662.3384 299.2618 -183929.2911 -149562.6981 299.2972 -115.3146 -85.3281 557101.4918 -11.3605 -11.3152 PRESSURE: 4598400 53.369 -46.9454 -6.59332 -46.9441 -56.4446 43.3653 -6.59409 43.3664 -95.6352 GPRESSURE: 4598400 105.596 5.70788 -30.9474 -76.241 -7.11839 14.3676 9.89013 -61.2926 -96.8262 PRESSAVG: 4598400 21.3626 -17.9229 14.7503 -17.9228 -25.8372 43.0001 14.7503 43.0002 10.3297 GPRESSAVG: 4598400 21.6993 -18.8213 13.5867 -19.9405 -25.5955 44.8798 15.3673 41.5852 9.30777 TIMING: 4598400 CPU: 13361.3, 0.00292728/step Wall: 13361.3, 0.00292728/step, 0.326554 hours remaining, 207.421875 MB of memory in use. ENERGY: 4598400 696.4082 2073.7245 1981.8885 109.1404 -206263.4341 17524.3617 0.0000 0.0000 34265.2708 -149612.6401 299.2471 -183877.9109 -149519.7145 298.6589 -32.9036 0.5505 555603.8111 1.9517 1.8039 PRESSURE: 4598600 306.982 1.66934 26.9275 1.67005 -24.4562 146.481 26.9281 146.48 80.4949 GPRESSURE: 4598600 334.525 0.110853 -49.5219 -19.6544 -11.6741 26.8299 24.7308 121.598 126.554 PRESSAVG: 4598600 36.5503 -55.0376 31.1842 -55.0377 14.8469 -67.5453 31.1841 -67.5452 -0.735209 GPRESSAVG: 4598600 37.6805 -53.2867 31.9108 -53.9743 13.334 -66.9609 29.7466 -67.9443 -0.745443 TIMING: 4598600 CPU: 13361.9, 0.00292652/step Wall: 13361.9, 0.00292652/step, 0.326307 hours remaining, 207.421875 MB of memory in use. ENERGY: 4598600 746.4860 2076.6941 2019.3262 103.9934 -206726.3946 18112.1236 0.0000 0.0000 34124.3801 -149543.3913 298.0167 -183667.7713 -149448.8891 298.5813 121.0069 149.8018 556311.9512 16.8873 16.7563 PRESSURE: 4598800 -46.1407 98.5507 0.864303 98.5497 117.879 -165.961 0.863432 -165.962 -73.9826 GPRESSURE: 4598800 9.18596 172.983 -19.7758 102.401 114.273 -104.296 63.9005 -54.4096 -31.269 PRESSAVG: 4598800 -9.42505 18.0365 28.528 18.0365 3.34252 -14.0421 28.528 -14.0421 48.586 GPRESSAVG: 4598800 -11.3842 18.4188 29.1478 16.5582 5.12212 -15.1789 28.2083 -12.0091 49.2039 TIMING: 4598800 CPU: 13362.5, 0.00290552/step Wall: 13362.5, 0.00290552/step, 0.323804 hours remaining, 207.421875 MB of memory in use. ENERGY: 4598800 803.5156 2089.8293 1979.9231 113.6684 -206638.4862 17905.8565 0.0000 0.0000 34251.4666 -149494.2267 299.1266 -183745.6933 -149394.8848 299.0722 -0.7480 30.7298 556486.2054 14.1678 14.3139 PRESSURE: 4599000 258.676 -9.26779 -129.594 -9.26773 -91.4578 10.6387 -129.593 10.6386 354.538 GPRESSURE: 4599000 265.412 -8.81364 -88.3618 -36.1307 3.29469 -11.6936 -192.115 19.3369 342.377 PRESSAVG: 4599000 53.3944 37.779 -17.1146 37.779 -79.2798 8.98485 -17.1145 8.98486 48.2603 GPRESSAVG: 4599000 54.3376 35.7254 -19.5019 40.8169 -80.581 8.70833 -14.8769 9.02634 48.7408 TIMING: 4599000 CPU: 13363.1, 0.00291756/step Wall: 13363.1, 0.00291756/step, 0.324984 hours remaining, 207.421875 MB of memory in use. ENERGY: 4599000 749.1633 2141.7996 1989.3707 109.1446 -206780.6977 18091.3402 0.0000 0.0000 34379.6158 -149320.2635 300.2457 -183699.8792 -149214.7349 299.4693 173.9188 203.6944 556803.4891 7.4583 7.4991 PRESSURE: 4599200 -367.335 191.812 -137.856 191.811 -144.043 -85.6347 -137.856 -85.6348 204.698 GPRESSURE: 4599200 -296.747 167.265 -127.87 180.173 -134.43 -125.385 -78.1836 -78.9399 214.197 PRESSAVG: 4599200 -45.0332 31.0721 0.222966 31.072 -18.0096 -2.28213 0.222956 -2.28219 76.5402 GPRESSAVG: 4599200 -45.9579 33.2995 3.08995 27.8767 -17.7087 -2.40674 -0.511703 -5.27013 76.7117 TIMING: 4599200 CPU: 13363.7, 0.00293118/step Wall: 13363.7, 0.00293118/step, 0.326338 hours remaining, 207.421875 MB of memory in use. ENERGY: 4599200 765.8905 2133.0909 1974.4426 109.7542 -205850.5753 17609.4019 0.0000 0.0000 34233.7679 -149024.2273 298.9720 -183257.9952 -148927.5633 299.3894 -102.2267 -72.3264 557962.2262 4.4991 4.3484 PRESSURE: 4599400 254.407 56.2769 192.153 56.2777 97.4559 83.8662 192.154 83.8663 171.895 GPRESSURE: 4599400 285.812 61.4446 212.552 -24.0053 118.837 129.395 155.931 92.7712 221.475 PRESSAVG: 4599400 -1.93964 40.8774 16.0514 40.8774 -38.4911 6.78792 16.0515 6.78792 47.7925 GPRESSAVG: 4599400 -2.25061 39.7705 16.369 41.1737 -38.6528 7.52453 15.3899 6.91993 47.9414 TIMING: 4599400 CPU: 13364.3, 0.00291502/step Wall: 13364.3, 0.00291502/step, 0.324377 hours remaining, 207.421875 MB of memory in use. ENERGY: 4599400 754.8556 2107.4896 1997.9204 104.1896 -206405.8999 17955.4653 0.0000 0.0000 34410.9107 -149075.0687 300.5190 -183485.9794 -148972.7064 299.8182 174.5862 208.7083 555246.9903 2.4539 2.3460 PRESSURE: 4599600 -43.4214 -60.1933 -155.671 -60.1929 26.0722 46.1127 -155.672 46.1137 -117.196 GPRESSURE: 4599600 -29.5172 -104.692 -128.506 -51.9448 86.621 19.0439 -193.761 114.306 -97.6245 PRESSAVG: 4599600 40.0504 -0.773034 -16.243 -0.772972 -30.7575 -58.0723 -16.2429 -58.0723 -0.267722 GPRESSAVG: 4599600 40.7507 -3.04282 -17.9037 -0.12503 -30.379 -58.8989 -15.1601 -56.978 -1.39759 TIMING: 4599600 CPU: 13364.8, 0.00290625/step Wall: 13364.8, 0.00290625/step, 0.323239 hours remaining, 207.421875 MB of memory in use. ENERGY: 4599600 801.0294 2147.7229 1942.2190 107.0454 -206215.2736 17817.2885 0.0000 0.0000 34414.2658 -148985.7026 300.5483 -183399.9685 -148897.1886 300.3392 -44.8484 -13.5069 557386.7555 3.0084 2.9914 PRESSURE: 4599800 389.286 145.123 57.4858 145.124 24.4416 178.881 57.4867 178.88 257.799 GPRESSURE: 4599800 361.349 181.278 81.1826 120.694 69.6455 100.561 56.6491 153.334 344.479 PRESSAVG: 4599800 88.3148 28.3553 -33.5498 28.3553 -20.2552 59.4064 -33.5498 59.4064 -61.5907 GPRESSAVG: 4599800 87.944 30.4605 -32.5795 28.9 -19.2587 59.5092 -34.3928 60.5277 -62.8627 TIMING: 4599800 CPU: 13365.4, 0.002901/step Wall: 13365.4, 0.002901/step, 0.322494 hours remaining, 207.421875 MB of memory in use. ENERGY: 4599800 735.5849 2167.8559 1936.9510 117.2224 -206375.5818 18049.5884 0.0000 0.0000 34279.6054 -149088.7738 299.3723 -183368.3793 -148997.7790 300.1373 223.8420 258.4911 556341.8680 2.1563 1.9408 PRESSURE: 4600000 89.4596 -96.5828 -93.435 -96.5819 75.1074 44.0091 -93.4342 44.0074 114.006 GPRESSURE: 4600000 125.425 -24.2351 -15.7462 -105.44 144.902 35.893 -52.8862 -35.1254 106.589 PRESSAVG: 4600000 29.3354 23.2849 -32.2786 23.2849 23.1607 29.0132 -32.2785 29.0133 -24.0826 GPRESSAVG: 4600000 28.9502 24.5376 -34.3491 22.2947 22.6479 28.3746 -32.4901 28.4337 -22.9028 TIMING: 4600000 CPU: 13366, 0.00291788/step Wall: 13366, 0.00291788/step, 0.324208 hours remaining, 207.421875 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: 4600000 741.8593 2149.6600 1983.8695 108.2564 -206097.6359 17918.4457 0.0000 0.0000 34229.2229 -148966.3221 298.9323 -183195.5450 -148867.6802 299.9777 92.8576 125.6391 556561.2607 9.4712 9.5651 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.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 -13.6184 68.9 -119.047 68.8992 192.283 154.233 -119.047 154.232 -63.8145 GPRESSURE: 4600200 17.9383 -11.7131 -204.398 181.924 192.019 227.43 -97.0419 101.236 5.13386 PRESSAVG: 4600200 38.7439 -15.702 -39.3868 -15.702 40.2856 18.7036 -39.3869 18.7037 -66.1704 GPRESSAVG: 4600200 39.1652 -16.5625 -39.238 -16.8777 39.5837 19.6796 -39.2449 18.3578 -65.7622 TIMING: 4600200 CPU: 13366.7, 0.00324897/step Wall: 13366.7, 0.00324897/step, 0.360816 hours remaining, 207.546875 MB of memory in use. ENERGY: 4600200 721.7939 2113.9629 1981.5130 116.2990 -206054.6753 17645.1777 0.0000 0.0000 34431.0267 -149044.9021 300.6947 -183475.9288 -148946.2431 299.6085 38.2835 71.6969 557065.8797 4.2864 4.3289 LDB: ============= START OF LOAD BALANCING ============== 13370.1 LDB: ============== END OF LOAD BALANCING =============== 13370.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13370.1 LDB: ============= START OF LOAD BALANCING ============== 13370.4 LDB: Largest compute 4848 load 0.029255 is 24.8% of average load 0.117794 LDB: Average compute 0.001729 is 1.5% of average load 0.117794 LDB: TIME 13370.4 LOAD: AVG 0.117794 MAX 0.181141 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.539 MB LDB: TIME 13370.4 LOAD: AVG 0.117794 MAX 0.181141 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: TIME 13370.4 LOAD: AVG 0.117794 MAX 0.181141 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13370.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13370.4 PRESSURE: 4600400 33.1619 -84.5683 -17.8285 -84.5683 -97.1652 -66.6525 -17.8288 -66.6504 33.5945 GPRESSURE: 4600400 19.9303 -141.238 -22.6179 -60.432 -13.4833 -108.952 118.186 -44.3398 62.2612 PRESSAVG: 4600400 69.2121 -16.7417 -64.6822 -16.7416 17.6195 13.4961 -64.6822 13.4961 -86.8899 GPRESSAVG: 4600400 69.0468 -16.7727 -65.7795 -16.695 17.9319 14.1186 -63.8007 15.0842 -86.8 TIMING: 4600400 CPU: 13367.3, 0.00298973/step Wall: 13367.3, 0.00298973/step, 0.33186 hours remaining, 206.902344 MB of memory in use. ENERGY: 4600400 729.7410 2071.4498 1975.3144 115.7775 -205783.7305 17501.5890 0.0000 0.0000 34361.1510 -149028.7078 300.0845 -183389.8589 -148933.1015 299.5945 -10.1363 22.9028 556770.2313 -0.0194 0.0596 PRESSURE: 4600600 -120.709 -34.2337 -12.2262 -34.2321 -6.58576 -17.1282 -12.2254 -17.1285 -157.5 GPRESSURE: 4600600 -88.7912 -19.4734 66.0764 -103.418 -12.9327 30.9872 7.9813 18.7032 -88.855 PRESSAVG: 4600600 -1.68215 -35.4907 32.0724 -35.4907 4.9404 -29.2531 32.0725 -29.253 -2.2194 GPRESSAVG: 4600600 -1.17628 -36.6763 35.5501 -34.9518 5.31819 -30.7745 31.1384 -30.9932 -3.00814 TIMING: 4600600 CPU: 13367.8, 0.00290423/step Wall: 13367.8, 0.00290423/step, 0.322208 hours remaining, 207.046875 MB of memory in use. ENERGY: 4600600 732.2826 2089.7070 1958.1155 122.6832 -205926.0174 17719.9273 0.0000 0.0000 34270.7150 -149032.5867 299.2947 -183303.3017 -148940.8324 299.6969 -94.9318 -63.5263 557361.6830 0.3463 0.3779 PRESSURE: 4600800 -51.2553 -119.004 92.4721 -119.005 293.418 145.478 92.4725 145.478 -153.073 GPRESSURE: 4600800 -0.746855 -56.9629 158.034 -164.981 319.997 119.371 -3.41687 86.52 -133.259 PRESSAVG: 4600800 9.89172 -68.4714 0.110188 -68.4714 23.6384 -29.1662 0.110248 -29.166 -56.3372 GPRESSAVG: 4600800 10.1299 -66.1716 -2.11013 -69.1722 22.8488 -27.9814 -0.731896 -28.9773 -55.7794 TIMING: 4600800 CPU: 13368.4, 0.00291464/step Wall: 13368.4, 0.00291464/step, 0.323201 hours remaining, 207.046875 MB of memory in use. ENERGY: 4600800 759.0477 2090.4306 1962.5301 109.7397 -205927.3296 17844.4420 0.0000 0.0000 34097.1749 -149063.9645 297.7791 -183161.1394 -148963.8676 299.9020 29.6966 61.9968 557286.7519 -7.6024 -7.6002 PRESSURE: 4601000 104.703 -256.591 -87.546 -256.591 -51.9516 119.687 -87.546 119.687 10.4566 GPRESSURE: 4601000 121.412 -236.006 -49.6233 -299.753 -23.3096 156.44 -142.272 89.1466 59.6811 PRESSAVG: 4601000 -16.4015 -68.3236 -48.2619 -68.3237 17.7929 43.2481 -48.2619 43.2482 26.7986 GPRESSAVG: 4601000 -16.5466 -71.2774 -47.3202 -66.0542 18.3079 43.38 -46.8164 41.975 26.9147 TIMING: 4601000 CPU: 13369, 0.00290086/step Wall: 13369, 0.00290086/step, 0.321512 hours remaining, 207.046875 MB of memory in use. ENERGY: 4601000 745.3001 2053.4941 1952.1109 107.6713 -206325.4792 17937.6320 0.0000 0.0000 34303.1320 -149226.1388 299.5778 -183529.2708 -149121.1886 299.2803 21.0693 52.5944 558749.9670 9.3967 9.5587 PRESSURE: 4601200 -32.3849 -25.6267 21.4937 -25.6271 -98.7574 -120.867 21.4941 -120.865 29.8825 GPRESSURE: 4601200 50.6907 72.0147 35.7699 -101.298 -69.0887 -85.9663 70.5959 -117.951 25.7236 PRESSAVG: 4601200 -18.277 -26.0936 -13.7517 -26.0936 18.6127 0.334303 -13.7515 0.334333 26.9923 GPRESSAVG: 4601200 -17.9532 -25.2574 -13.2308 -26.5445 18.2061 -1.03018 -13.9569 1.95561 27.1307 TIMING: 4601200 CPU: 13369.6, 0.00289987/step Wall: 13369.6, 0.00289987/step, 0.321241 hours remaining, 207.046875 MB of memory in use. ENERGY: 4601200 765.1492 2062.7923 1934.2191 112.3403 -206044.5488 17775.9034 0.0000 0.0000 34359.2971 -149034.8475 300.0683 -183394.1446 -148929.5429 299.5818 -33.7533 2.4418 559246.8959 9.1093 9.1279 PRESSURE: 4601400 327.303 25.6331 13.7973 25.6339 143.568 -45.2357 13.7973 -45.2343 312.846 GPRESSURE: 4601400 348.584 97.6328 31.3874 2.73158 189.002 -41.5474 -18.8528 -45.0819 339.972 PRESSAVG: 4601400 18.5097 -37.584 -11.0263 -37.5839 -79.2782 15.8456 -11.0263 15.8457 61.9346 GPRESSAVG: 4601400 19.0898 -35.4812 -14.4835 -40.7356 -78.892 16.2302 -9.08277 17.2814 61.0973 TIMING: 4601400 CPU: 13370.2, 0.00290821/step Wall: 13370.2, 0.00290821/step, 0.322003 hours remaining, 207.046875 MB of memory in use. ENERGY: 4601400 724.2853 2126.0040 1966.2321 116.5724 -206302.3726 18140.9412 0.0000 0.0000 34233.5853 -148994.7523 298.9704 -183228.3376 -148908.8266 299.6722 261.2393 292.5195 557115.1626 0.3887 0.4317 PRESSURE: 4601600 41.6462 43.9367 71.5249 43.9368 -108.064 -75.2654 71.525 -75.2639 57.3503 GPRESSURE: 4601600 32.8579 77.9488 3.33909 59.8304 -16.8839 -288.646 95.8128 55.9637 64.4525 PRESSAVG: 4601600 4.64565 -17.332 -24.1696 -17.3321 -21.7638 17.835 -24.1697 17.8349 39.9235 GPRESSAVG: 4601600 3.52777 -17.7033 -23.039 -15.2123 -21.7902 15.8672 -26.1717 16.4839 40.6529 TIMING: 4601600 CPU: 13370.7, 0.00289763/step Wall: 13370.7, 0.00289763/step, 0.320672 hours remaining, 207.046875 MB of memory in use. ENERGY: 4601600 722.5114 2033.6868 1955.5412 126.3637 -206136.5139 17776.0068 0.0000 0.0000 34402.7134 -149119.6906 300.4475 -183522.4040 -149012.1698 300.4800 -3.0225 26.8088 557483.8566 7.6018 7.4635 PRESSURE: 4601800 -279.644 41.5374 143.024 41.5388 -71.4508 -61.5827 143.025 -61.5829 -238.195 GPRESSURE: 4601800 -238.29 7.84468 136.765 64.9888 -38.6415 -100.398 235.572 -98.4292 -221.069 PRESSAVG: 4601800 -26.1913 -12.0017 10.7879 -12.0016 27.6478 -60.0726 10.7879 -60.0726 -4.8348 GPRESSAVG: 4601800 -24.248 -13.3102 12.3176 -13.1025 26.9895 -59.02 12.3575 -58.6969 -5.98607 TIMING: 4601800 CPU: 13371.3, 0.00290696/step Wall: 13371.3, 0.00290696/step, 0.321542 hours remaining, 207.046875 MB of memory in use. ENERGY: 4601800 746.2951 2106.9119 1984.6594 108.7432 -205825.1039 17542.5803 0.0000 0.0000 34273.2456 -149062.6684 299.3168 -183335.9140 -148963.0180 299.7657 -196.4299 -166.0002 558609.3442 -1.1261 -1.0815 PRESSURE: 4602000 -57.0689 -68.2813 -91.3876 -68.2811 29.9588 -120.454 -91.3885 -120.454 -32.7527 GPRESSURE: 4602000 -36.5227 -39.7706 -127.018 -47.4696 6.46582 -172.792 -133.13 -184.543 70.9237 PRESSAVG: 4602000 -3.64377 -63.2298 23.2254 -63.2298 3.76682 -27.9727 23.2255 -27.9727 -7.13362 GPRESSAVG: 4602000 -3.72098 -64.2937 22.5602 -61.8547 3.26715 -27.1236 22.3273 -30.6852 -6.6035 TIMING: 4602000 CPU: 13371.9, 0.00291101/step Wall: 13371.9, 0.00291101/step, 0.321829 hours remaining, 207.046875 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: 4602000 704.0384 2123.2709 1961.2020 128.1698 -206123.3427 17865.3753 0.0000 0.0000 34183.2658 -149158.0205 298.5310 -183341.2863 -149075.3791 299.4860 -19.9542 13.6223 558393.5908 -2.3369 -2.3524 PRESSURE: 4602200 128.851 -158.367 -117.596 -158.366 78.0217 -12.2365 -117.595 -12.2356 24.6751 GPRESSURE: 4602200 196.215 -130.621 -25.4434 -159.485 61.8363 -86.1843 -251.248 156.957 75.5271 PRESSAVG: 4602200 60.0468 -11.9443 -35.4285 -11.9443 -37.2044 20.7051 -35.4285 20.705 -5.75025 GPRESSAVG: 4602200 58.2944 -11.6087 -35.3775 -11.9573 -36.6363 19.5576 -34.5937 22.0368 -5.30857 TIMING: 4602200 CPU: 13372.5, 0.00291302/step Wall: 13372.5, 0.00291302/step, 0.321889 hours remaining, 207.046875 MB of memory in use. ENERGY: 4602200 741.8122 2072.7789 1956.2252 121.7347 -206220.5328 17913.0649 0.0000 0.0000 34099.3066 -149315.6102 297.7977 -183414.9169 -149224.7981 298.8857 77.1825 111.1929 556688.2076 5.6974 5.4499 PRESSURE: 4602400 205.554 92.0961 -21.0626 92.0968 27.8281 -82.0301 -21.0616 -82.0305 -32.6777 GPRESSURE: 4602400 193.854 48.6829 -11.3748 34.0467 75.1544 -110.095 -15.039 6.61563 36.6143 PRESSAVG: 4602400 35.1451 1.03637 1.98456 1.0364 9.34053 -36.0311 1.98456 -36.031 1.65853 GPRESSAVG: 4602400 36.5424 4.26829 2.08829 -0.972753 10.1264 -35.5733 1.77656 -35.0201 -0.659148 TIMING: 4602400 CPU: 13373.1, 0.00291369/step Wall: 13373.1, 0.00291369/step, 0.321801 hours remaining, 207.046875 MB of memory in use. ENERGY: 4602400 715.5729 2171.3630 1975.1644 115.4291 -206293.0593 17871.9704 0.0000 0.0000 34130.7058 -149312.8536 298.0719 -183443.5595 -149219.0674 299.2852 66.9014 101.8741 557710.9729 15.3814 15.3366 PRESSURE: 4602600 19.2719 -5.50394 38.1104 -5.50323 112.626 -36.1504 38.1107 -36.1507 -208.667 GPRESSURE: 4602600 67.7782 -35.0366 -18.2311 -57.429 132.957 -86.3394 131.043 -57.5481 -179.384 PRESSAVG: 4602600 -26.6904 -6.9229 48.2531 -6.92295 51.7264 -0.324516 48.2531 -0.324439 -41.4798 GPRESSAVG: 4602600 -27.3604 -8.16432 47.6463 -6.35236 52.1592 -0.976002 47.9572 0.278338 -41.3575 TIMING: 4602600 CPU: 13373.7, 0.00291476/step Wall: 13373.7, 0.00291476/step, 0.321757 hours remaining, 207.046875 MB of memory in use. ENERGY: 4602600 778.3496 2093.0330 1938.3577 122.9688 -205884.1214 17703.0125 0.0000 0.0000 34093.4630 -149154.9368 297.7467 -183248.3998 -149064.5223 298.2394 -25.5897 7.1172 558342.7828 -5.4813 -5.5196 PRESSURE: 4602800 -343.892 -86.7573 23.0273 -86.7565 -72.954 139.32 23.0277 139.32 -23.2404 GPRESSURE: 4602800 -258.619 -17.5491 34.5886 -91.0625 -62.25 117.812 33.9148 179.312 -21.2318 PRESSAVG: 4602800 12.0788 -18.3049 57.1309 -18.3049 9.71598 13.3011 57.1309 13.3011 20.674 GPRESSAVG: 4602800 12.5137 -18.4427 59.5746 -16.8371 7.59429 13.071 56.1666 11.9385 22.0598 TIMING: 4602800 CPU: 13374.2, 0.00293493/step Wall: 13374.2, 0.00293493/step, 0.323821 hours remaining, 207.046875 MB of memory in use. ENERGY: 4602800 738.9275 2094.8052 1930.1902 108.6453 -205786.2982 17505.9992 0.0000 0.0000 34311.8711 -149095.8597 299.6541 -183407.7308 -148997.3616 298.8930 -146.6956 -114.0336 558036.6495 14.1563 14.0559 PRESSURE: 4603000 169.818 181.106 -2.02265 181.108 120.676 23.19 -2.02177 23.1903 85.1128 GPRESSURE: 4603000 224.548 168.568 -10.1835 190.091 98.934 4.40026 9.44305 -2.51517 139.14 PRESSAVG: 4603000 16.7935 51.2803 -48.4073 51.2804 -10.0854 6.79722 -48.4072 6.79733 4.42102 GPRESSAVG: 4603000 15.7748 50.5975 -50.0079 49.6756 -8.6414 5.5602 -47.8035 7.38433 4.35299 TIMING: 4603000 CPU: 13374.8, 0.00292298/step Wall: 13374.8, 0.00292298/step, 0.322339 hours remaining, 207.046875 MB of memory in use. ENERGY: 4603000 716.4724 2087.5276 1961.7519 109.4304 -206221.6273 17919.0382 0.0000 0.0000 34240.4036 -149187.0032 299.0300 -183427.4068 -149080.8782 298.6205 125.2024 154.2073 557953.9414 3.7097 3.8288 PRESSURE: 4603200 94.026 35.7375 91.3024 35.7363 -46.2708 -48.4457 91.3025 -48.445 236.574 GPRESSURE: 4603200 70.525 86.2949 98.8299 31.2072 53.2558 -46.4197 37.4738 -75.5617 266.85 PRESSAVG: 4603200 3.52241 86.9293 6.84202 86.9294 39.5383 -3.12471 6.84198 -3.12472 18.6815 GPRESSAVG: 4603200 2.98328 87.4887 8.31579 86.8684 39.8701 -2.41963 5.71421 -3.73384 18.9498 TIMING: 4603200 CPU: 13375.4, 0.0028871/step Wall: 13375.4, 0.0028871/step, 0.318222 hours remaining, 207.046875 MB of memory in use. ENERGY: 4603200 739.4657 2124.2348 1955.7802 102.2402 -206351.8606 17946.3620 0.0000 0.0000 34261.5384 -149222.2394 299.2145 -183483.7778 -149131.8333 298.9329 94.7764 130.2101 556396.0298 20.5807 20.6011 PRESSURE: 4603400 -346.585 25.4116 -83.5544 25.4117 -84.382 35.101 -83.5538 35.1009 -17.9196 GPRESSURE: 4603400 -314.084 100.867 -53.8368 2.76054 -85.0934 39.3087 -102.309 12.0735 51.7548 PRESSAVG: 4603400 -54.1192 47.0659 8.02268 47.0659 52.4834 11.5027 8.02268 11.5028 -5.16453 GPRESSAVG: 4603400 -53.3724 47.7505 6.10558 46.2999 52.8372 11.9779 10.4811 13.076 -5.63239 TIMING: 4603400 CPU: 13376, 0.00291804/step Wall: 13376, 0.00291804/step, 0.321471 hours remaining, 207.046875 MB of memory in use. ENERGY: 4603400 753.0590 2123.0669 1973.1434 107.2346 -206001.3877 17554.7376 0.0000 0.0000 34329.7451 -149160.4010 299.8102 -183490.1461 -149061.4547 299.0523 -149.6288 -115.8074 557294.2333 -2.2668 -2.0559 PRESSURE: 4603600 40.1541 34.2706 150.762 34.2692 -88.4364 -214.547 150.762 -214.549 -20.3832 GPRESSURE: 4603600 -13.5298 20.0629 111.05 -15.0062 -4.37289 -243.71 127.861 -199.619 54.2038 PRESSAVG: 4603600 34.02 -13.1168 37.7668 -13.1169 -10.6468 -5.13643 37.7666 -5.13642 -31.6181 GPRESSAVG: 4603600 35.4048 -15.9339 39.6204 -11.1186 -12.042 -7.06218 36.6216 -5.73332 -31.3193 TIMING: 4603600 CPU: 13376.6, 0.0029125/step Wall: 13376.6, 0.0029125/step, 0.320699 hours remaining, 207.046875 MB of memory in use. ENERGY: 4603600 754.2213 2088.5809 1922.6664 100.4660 -206297.0932 17786.6846 0.0000 0.0000 34363.9320 -149280.5420 300.1088 -183644.4740 -149185.0253 299.4109 -22.8885 12.1004 558068.1527 -2.7483 -2.6522 PRESSURE: 4603800 -21.5926 -83.9514 -20.6508 -83.9517 53.9422 -47.2771 -20.6516 -47.2768 119.845 GPRESSURE: 4603800 22.9851 -59.3054 -78.2507 -1.49761 102.435 -58.6169 -17.9267 -108.502 123.968 PRESSAVG: 4603800 -25.4439 -5.1678 46.1222 -5.16773 17.6932 -0.581466 46.1223 -0.581505 -17.5558 GPRESSAVG: 4603800 -26.5677 -4.93817 44.6735 -4.45642 18.6513 2.88102 46.7617 -1.14056 -17.4084 TIMING: 4603800 CPU: 13377.1, 0.00290463/step Wall: 13377.1, 0.00290463/step, 0.319671 hours remaining, 207.046875 MB of memory in use. ENERGY: 4603800 723.3136 2101.9931 1955.7775 125.3258 -206250.0876 17817.6499 0.0000 0.0000 34265.5605 -149260.4671 299.2497 -183526.0277 -149160.9257 299.6275 50.7316 83.1293 557545.7295 -8.4355 -8.4416 PRESSURE: 4604000 71.5924 -151.514 -67.2195 -151.514 178.881 50.1888 -67.2183 50.1907 -46.6894 GPRESSURE: 4604000 136.603 -143.108 -54.0943 -193.192 221.499 9.15409 -36.713 38.0363 -54.1848 PRESSAVG: 4604000 3.80629 -70.636 -6.27646 -70.6361 35.5742 -65.6678 -6.27647 -65.6679 -0.955161 GPRESSAVG: 4604000 3.63616 -68.825 -7.45316 -72.9509 36.2755 -67.2571 -6.16705 -65.0411 -1.57915 TIMING: 4604000 CPU: 13377.7, 0.00290872/step Wall: 13377.7, 0.00290872/step, 0.319959 hours remaining, 207.046875 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: 4604000 721.1888 2074.4850 1952.4454 105.2902 -206246.6625 17806.6461 0.0000 0.0000 34395.1912 -149191.4157 300.3818 -183586.6069 -149096.9532 299.4096 67.9278 101.3058 556345.4966 12.8084 12.7775 PRESSURE: 4604200 -197.764 0.980492 137.672 0.979594 -122.312 25.5075 137.673 25.5061 -160.741 GPRESSURE: 4604200 -185.749 -20.6591 176.437 -40.5636 -57.352 48.7307 140.75 44.2564 -142.811 PRESSAVG: 4604200 14.8088 4.19398 34.7225 4.19409 64.3986 29.8356 34.7225 29.8355 -28.0552 GPRESSAVG: 4604200 13.6984 1.7239 34.8124 5.04466 65.2565 31.0502 33.0838 29.8852 -27.1244 TIMING: 4604200 CPU: 13378.3, 0.00289888/step Wall: 13378.3, 0.00289888/step, 0.318715 hours remaining, 207.046875 MB of memory in use. ENERGY: 4604200 746.6077 2098.1415 1940.8223 107.8685 -205807.5216 17509.6537 0.0000 0.0000 34295.6497 -149108.7780 299.5124 -183404.4277 -149007.6523 299.4059 -160.2721 -128.6375 558951.5419 17.0507 17.2768 LDB: ============= START OF LOAD BALANCING ============== 13381.8 LDB: ============== END OF LOAD BALANCING =============== 13381.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13381.8 LDB: ============= START OF LOAD BALANCING ============== 13382.1 LDB: Largest compute 4848 load 0.030934 is 26.2% of average load 0.117912 LDB: Average compute 0.001727 is 1.5% of average load 0.117912 LDB: TIME 13382.1 LOAD: AVG 0.117912 MAX 0.180085 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.531 MB LDB: TIME 13382.1 LOAD: AVG 0.117912 MAX 0.180085 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: TIME 13382.1 LOAD: AVG 0.117912 MAX 0.180085 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.738 MB LDB: ============== END OF LOAD BALANCING =============== 13382.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13382.1 PRESSURE: 4604400 -118.006 -61.3896 124.603 -61.389 145.594 -6.87131 124.604 -6.87257 -32.0856 GPRESSURE: 4604400 -101.614 -129.665 172.673 11.8114 165.596 -92.1672 57.0347 43.5287 30.2242 PRESSAVG: 4604400 -6.13284 -22.8638 25.1509 -22.8638 -3.03997 -17.8162 25.151 -17.8163 -29.5191 GPRESSAVG: 4604400 -4.81254 -20.078 24.2341 -24.435 -4.50303 -17.3285 26.6616 -17.6217 -29.711 TIMING: 4604400 CPU: 13378.9, 0.00295954/step Wall: 13378.9, 0.00295954/step, 0.325221 hours remaining, 207.671875 MB of memory in use. ENERGY: 4604400 752.8539 2182.4283 1913.3487 110.9047 -205966.6659 17692.3191 0.0000 0.0000 34238.3593 -149076.4519 299.0121 -183314.8112 -148977.0739 299.3889 -1.4992 31.4019 557666.9736 -12.8973 -13.0089 PRESSURE: 4604600 -309.378 -92.7159 -120.114 -92.7165 98.6925 64.5731 -120.115 64.5728 -48.7223 GPRESSURE: 4604600 -233.909 -114.463 -137.984 -52.133 117.062 61.995 -102.145 78.2118 -37.7744 PRESSAVG: 4604600 22.7094 -24.2958 -10.1206 -24.2958 -0.257714 -2.87571 -10.1206 -2.87556 -27.6997 GPRESSAVG: 4604600 22.7717 -24.2592 -7.33935 -23.037 -0.248817 -2.5744 -11.1057 -4.35859 -27.8573 TIMING: 4604600 CPU: 13379.5, 0.00287765/step Wall: 13379.5, 0.00287765/step, 0.316062 hours remaining, 207.683594 MB of memory in use. ENERGY: 4604600 775.2914 2108.1663 1955.5128 104.0168 -206017.7941 17775.5031 0.0000 0.0000 34239.9057 -149059.3980 299.0256 -183299.3037 -148963.4718 299.5128 -86.4693 -51.5404 557906.0603 -1.7493 -1.7781 PRESSURE: 4604800 103.59 82.9955 -16.959 82.9958 -341.973 -22.5613 -16.9578 -22.5621 73.748 GPRESSURE: 4604800 90.5335 64.1685 -76.7579 47.3133 -214.87 74.04 -36.766 -103.596 55.6484 PRESSAVG: 4604800 25.2528 33.0497 -23.5918 33.0496 -65.2546 52.7066 -23.5919 52.7066 39.8298 GPRESSAVG: 4604800 24.8382 32.8091 -24.2792 32.488 -64.8122 52.2666 -23.3614 53.9868 39.9333 TIMING: 4604800 CPU: 13380.1, 0.00292146/step Wall: 13380.1, 0.00292146/step, 0.320712 hours remaining, 207.742188 MB of memory in use. ENERGY: 4604800 745.2812 2115.0574 1970.4334 121.5601 -205779.1614 17615.7061 0.0000 0.0000 34082.7708 -149128.3524 297.6533 -183211.1232 -149035.3852 299.5829 -54.8786 -22.8958 558543.3207 -0.0573 -0.0136 PRESSURE: 4605000 202.374 40.6036 19.7562 40.6035 -114.142 120.911 19.7569 120.913 -14.6688 GPRESSURE: 4605000 242.857 8.67529 -71.3699 63.9775 -90.0727 30.5543 54.2168 166.533 10.1883 PRESSAVG: 4605000 79.0198 -25.136 6.38383 -25.1361 -41.0729 17.4652 6.3838 17.4652 6.48768 GPRESSAVG: 4605000 79.9875 -25.2543 5.21797 -25.8134 -42.0066 17.4361 7.60955 17.3527 6.11024 TIMING: 4605000 CPU: 13380.6, 0.00289129/step Wall: 13380.6, 0.00289129/step, 0.317238 hours remaining, 207.742188 MB of memory in use. ENERGY: 4605000 731.5891 2040.0203 1971.7796 124.3932 -206434.8524 18029.8179 0.0000 0.0000 34422.9174 -149114.3349 300.6239 -183537.2523 -149017.6588 299.4640 24.5212 54.3241 557991.9560 14.8115 14.6970 PRESSURE: 4605200 116.223 -52.5893 19.9981 -52.5891 0.328637 -61.8989 19.9985 -61.8988 -102.971 GPRESSURE: 4605200 126.015 -86.5463 53.3904 -42.5353 -8.16591 -125.847 -47.5444 -74.1956 -4.29955 PRESSAVG: 4605200 66.1815 -0.0905243 -10.7903 -0.0905669 -68.1028 45.6621 -10.7903 45.6621 -3.16639 GPRESSAVG: 4605200 64.6034 -0.101861 -8.78915 2.88442 -67.2374 45.837 -12.2511 45.8017 -2.84074 TIMING: 4605200 CPU: 13381.2, 0.00288792/step Wall: 13381.2, 0.00288792/step, 0.316708 hours remaining, 207.742188 MB of memory in use. ENERGY: 4605200 774.9787 2071.5799 1973.3187 114.4458 -206151.9388 17772.7930 0.0000 0.0000 34262.1588 -149182.6639 299.2200 -183444.8227 -149085.8027 299.7072 4.5267 37.8499 557172.4115 -1.6959 -1.8249 PRESSURE: 4605400 155.764 80.8557 129.577 80.8556 -11.5148 12.4387 129.577 12.4377 -239.209 GPRESSURE: 4605400 233.045 82.4378 120.471 15.2856 -16.3509 26.1082 112.842 40.298 -206.529 PRESSAVG: 4605400 37.9011 26.2585 11.5103 26.2585 -25.263 -14.5567 11.5103 -14.5566 -6.44989 GPRESSAVG: 4605400 39.1605 23.8799 13.4313 25.006 -26.2061 -13.1618 9.60654 -13.8213 -6.70372 TIMING: 4605400 CPU: 13381.8, 0.00288934/step Wall: 13381.8, 0.00288934/step, 0.316704 hours remaining, 207.742188 MB of memory in use. ENERGY: 4605400 751.2331 2134.7226 1933.0638 110.8916 -206032.6196 17730.6383 0.0000 0.0000 34337.0320 -149035.0382 299.8738 -183372.0702 -148938.6945 299.6053 -31.6532 3.3883 557399.5503 2.0627 2.0835 PRESSURE: 4605600 124.994 -194.7 -46.9537 -194.699 -174.036 -5.78335 -46.955 -5.78118 -201.666 GPRESSURE: 4605600 141.701 -104.377 -130.241 -185.826 -144.849 16.9684 -15.074 -11.1472 -155.222 PRESSAVG: 4605600 108.549 -37.496 11.342 -37.496 -69.7561 34.9045 11.342 34.9046 -73.4314 GPRESSAVG: 4605600 109.2 -34.439 8.57272 -37.9353 -70.7984 34.4019 13.0418 34.3849 -73.7776 TIMING: 4605600 CPU: 13382.4, 0.00291491/step Wall: 13382.4, 0.00291491/step, 0.319345 hours remaining, 207.742188 MB of memory in use. ENERGY: 4605600 715.9966 2087.8932 1955.6426 107.6175 -205594.9919 17421.3402 0.0000 0.0000 34383.2638 -148923.2379 300.2776 -183306.5018 -148820.5350 300.3211 -83.5691 -52.7898 558370.9824 -11.5462 -11.7919 PRESSURE: 4605800 -4.0967 -23.0156 59.2841 -23.0155 -124.215 -13.2774 59.2848 -13.2783 -206.204 GPRESSURE: 4605800 21.3193 -110.861 29.3303 9.52379 -87.7486 -117.063 66.3547 2.08783 -171.283 PRESSAVG: 4605800 7.84656 0.796547 -59.8714 0.796502 -10.3789 45.5478 -59.8714 45.5477 11.6616 GPRESSAVG: 4605800 6.02471 -0.0113543 -61.1913 0.485933 -8.75561 43.997 -60.6748 44.6561 11.5741 TIMING: 4605800 CPU: 13383, 0.00289744/step Wall: 13383, 0.00289744/step, 0.31727 hours remaining, 207.742188 MB of memory in use. ENERGY: 4605800 776.4065 2108.6364 1936.6629 115.3554 -205903.0468 17674.8852 0.0000 0.0000 34269.8628 -149021.2376 299.2872 -183291.1003 -148930.2099 300.1714 -111.5052 -79.2373 558015.2017 3.0431 2.9477 PRESSURE: 4606000 -6.48325 73.2798 -11.0723 73.2788 -90.2738 147.788 -11.0722 147.787 41.1905 GPRESSURE: 4606000 34.997 68.8432 -6.9135 69.9974 -49.9738 75.8612 -88.0891 110.192 69.4371 PRESSAVG: 4606000 23.4804 3.04979 -13.0033 3.04981 -52.9783 22.5345 -13.0032 22.5345 0.360492 GPRESSAVG: 4606000 23.3805 4.86128 -11.0023 1.9396 -52.663 24.001 -14.92 22.149 0.0922988 TIMING: 4606000 CPU: 13383.5, 0.00289195/step Wall: 13383.5, 0.00289195/step, 0.316508 hours remaining, 207.742188 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: 4606000 729.5111 2139.6030 1991.5466 105.0480 -206299.2480 17814.8451 0.0000 0.0000 34506.0355 -149012.6588 301.3498 -183518.6943 -148917.7703 299.5447 -18.5222 18.1534 558328.3833 -9.7125 -9.7301 PRESSURE: 4606200 139.003 -107.909 -211.851 -107.909 -157.406 52.797 -211.851 52.7969 77.7186 GPRESSURE: 4606200 141.939 -113.689 -155.138 -156.248 -101.279 92.2771 -161.229 58.2352 104.679 PRESSAVG: 4606200 51.8456 24.957 -98.9284 24.9572 -78.6408 34.8263 -98.9285 34.8262 10.9461 GPRESSAVG: 4606200 52.6085 22.9008 -99.3757 24.9312 -78.9039 36.3117 -95.6725 33.6898 10.1475 TIMING: 4606200 CPU: 13384.1, 0.00291074/step Wall: 13384.1, 0.00291074/step, 0.318403 hours remaining, 207.742188 MB of memory in use. ENERGY: 4606200 774.6403 2111.3611 1973.8014 106.8406 -206364.6047 17788.0191 0.0000 0.0000 34502.3584 -149107.5838 301.3177 -183609.9422 -149004.4352 299.8307 19.7716 48.4463 557908.1585 -5.2830 -5.3826 PRESSURE: 4606400 -387.665 -365.847 7.68008 -365.849 143.235 -72.7693 7.67952 -72.7678 -394.11 GPRESSURE: 4606400 -353.509 -295.164 11.8788 -378.116 208.039 -109.626 27.7411 -68.6381 -391.902 PRESSAVG: 4606400 -26.6 1.89588 -8.76933 1.89592 35.9944 -0.14616 -8.76934 -0.146012 12.2448 GPRESSAVG: 4606400 -26.7105 2.55394 -7.99952 3.36559 34.6652 -2.18574 -12.1891 2.74292 13.2288 TIMING: 4606400 CPU: 13384.7, 0.00291117/step Wall: 13384.7, 0.00291117/step, 0.318288 hours remaining, 207.742188 MB of memory in use. ENERGY: 4606400 773.8525 2086.5317 1943.1455 125.9793 -206204.7182 17620.7886 0.0000 0.0000 34457.0383 -149197.3822 300.9219 -183654.4205 -149099.7803 300.3201 -212.8465 -179.1241 558213.5434 7.2131 7.0611 PRESSURE: 4606600 52.7192 -25.2707 64.5459 -25.2723 96.3009 -44.7545 64.5448 -44.7556 80.0796 GPRESSURE: 4606600 67.6755 14.1733 26.2334 1.71925 156.03 107.145 114.804 -68.6379 102.481 PRESSAVG: 4606600 41.2076 -18.6729 -52.43 -18.6729 -3.41935 15.986 -52.43 15.9859 -29.7759 GPRESSAVG: 4606600 40.5747 -18.1773 -53.3959 -19.7204 -2.62979 16.4377 -51.4892 14.3233 -29.5801 TIMING: 4606600 CPU: 13385.3, 0.00289813/step Wall: 13385.3, 0.00289813/step, 0.316701 hours remaining, 207.742188 MB of memory in use. ENERGY: 4606600 751.3618 2043.6653 1967.0528 110.8123 -206484.3320 18025.3221 0.0000 0.0000 34287.8879 -149298.2297 299.4447 -183586.1176 -149203.1156 299.4121 76.3666 108.7288 557717.1370 2.6708 2.7883 PRESSURE: 4606800 -189.942 -199.816 96.0632 -199.816 -130.304 -39.5518 96.064 -39.5528 157.238 GPRESSURE: 4606800 -185.201 -294.344 88.1954 -125.931 -106.114 -20.3678 59.134 12.3515 229.677 PRESSAVG: 4606800 -8.55483 -78.6302 7.12444 -78.6302 -3.83907 10.3617 7.12447 10.3616 16.1553 GPRESSAVG: 4606800 -8.29152 -80.3591 7.63746 -75.5625 -4.67702 11.5761 6.12237 9.22349 16.6695 TIMING: 4606800 CPU: 13385.9, 0.00292716/step Wall: 13385.9, 0.00292715/step, 0.31971 hours remaining, 207.742188 MB of memory in use. ENERGY: 4606800 755.0943 2122.0453 1956.4749 104.0268 -206198.4404 17751.7593 0.0000 0.0000 34062.1474 -149446.8923 297.4732 -183509.0397 -149345.5931 298.4103 -54.3359 -20.5458 557380.4651 1.2538 1.2336 PRESSURE: 4607000 164.779 -28.7555 4.50246 -28.7548 -245.261 -117.523 4.50188 -117.525 7.38726 GPRESSURE: 4607000 186.231 -23.0862 1.28001 37.5527 -202.165 -159.604 -41.317 -66.8288 36.6951 PRESSAVG: 4607000 -31.2693 -41.1383 -63.9009 -41.1382 -52.0751 47.4517 -63.9009 47.4516 31.6721 GPRESSAVG: 4607000 -32.1641 -41.4253 -64.9578 -42.8452 -51.4863 45.4399 -61.9196 47.7624 31.9535 TIMING: 4607000 CPU: 13386.4, 0.00290959/step Wall: 13386.4, 0.00290959/step, 0.31763 hours remaining, 207.742188 MB of memory in use. ENERGY: 4607000 780.9706 2083.3589 1970.1496 99.3602 -206598.9533 17933.5975 0.0000 0.0000 34347.5499 -149383.9666 299.9657 -183731.5165 -149282.8232 298.5833 -24.3647 6.9206 556825.7437 -17.2241 -17.2323 PRESSURE: 4607200 154.832 67.3943 -19.2755 67.394 413.001 -76.4953 -19.2741 -76.4966 107.14 GPRESSURE: 4607200 242.063 96.2141 -20.454 38.4212 418.193 -60.5602 40.8455 -64.8825 107.467 PRESSAVG: 4607200 24.336 58.8473 -60.6603 58.8474 12.593 -28.6282 -60.6603 -28.6282 -26.7573 GPRESSAVG: 4607200 24.9544 59.483 -59.7793 59.2182 14.1993 -27.9692 -62.3136 -26.0654 -29.3743 TIMING: 4607200 CPU: 13387, 0.00293644/step Wall: 13387, 0.00293644/step, 0.320398 hours remaining, 207.742188 MB of memory in use. ENERGY: 4607200 726.2143 2092.7373 1941.1852 106.3226 -206691.7182 18141.6834 0.0000 0.0000 34119.3710 -149564.2044 297.9730 -183683.5754 -149470.8591 299.2083 224.9910 255.9076 555201.2476 3.3906 3.2598 PRESSURE: 4607400 -82.7359 -75.9771 -140.024 -75.977 -85.324 -26.6793 -140.023 -26.68 -190.595 GPRESSURE: 4607400 -108.443 -75.8023 -59.4214 -42.7834 9.22928 -0.120462 -184.854 -15.8644 -169.258 PRESSAVG: 4607400 12.7336 -5.22902 -64.0377 -5.22898 33.7456 -58.8289 -64.0376 -58.8289 -43.6822 GPRESSAVG: 4607400 12.8175 -6.38305 -63.1343 -4.71331 33.3007 -58.111 -63.5031 -61.1903 -43.1511 TIMING: 4607400 CPU: 13387.6, 0.0029227/step Wall: 13387.6, 0.0029227/step, 0.318737 hours remaining, 207.742188 MB of memory in use. ENERGY: 4607400 761.5483 2149.7740 1958.4936 107.9445 -206591.8890 17763.8512 0.0000 0.0000 34238.3034 -149611.9742 299.0116 -183850.2776 -149517.6758 298.2723 -119.5516 -89.4906 557570.3666 0.9323 0.9890 PRESSURE: 4607600 -183.339 -267.968 -237.462 -267.967 -183.829 -27.3656 -237.463 -27.3661 -6.59413 GPRESSURE: 4607600 -164.302 -132.722 -242.271 -244.332 -147.587 -49.5382 -183.153 -105.333 26.7573 PRESSAVG: 4607600 -32.2121 -44.4324 -34.5247 -44.4324 -3.24539 23.71 -34.5246 23.71 -8.05555 GPRESSAVG: 4607600 -32.6843 -42.0446 -37.3096 -45.5115 -4.90576 22.066 -33.7155 24.3502 -5.45344 TIMING: 4607600 CPU: 13388.2, 0.00289108/step Wall: 13388.2, 0.00289108/step, 0.315128 hours remaining, 207.742188 MB of memory in use. ENERGY: 4607600 767.4976 2065.9383 1971.0605 110.5898 -206393.9634 17583.4062 0.0000 0.0000 34256.1862 -149639.2848 299.1678 -183895.4710 -149544.9645 298.8169 -124.5874 -95.0440 554330.2434 -14.5043 -14.3478 PRESSURE: 4607800 -301.679 54.5678 -150.926 54.5666 -137.077 21.6115 -150.925 21.6113 -107.646 GPRESSURE: 4607800 -238.794 59.6933 -139.101 42.2105 -80.0207 -1.92222 -51.4205 124.31 -145.401 PRESSAVG: 4607800 -42.3496 -31.0916 -50.0029 -31.0916 -39.1128 -8.50036 -50.0028 -8.50023 48.5664 GPRESSAVG: 4607800 -41.0324 -32.3222 -48.6809 -32.6426 -38.193 -7.89284 -50.3031 -8.34896 46.6268 TIMING: 4607800 CPU: 13388.8, 0.00291105/step Wall: 13388.8, 0.00291105/step, 0.317143 hours remaining, 207.753906 MB of memory in use. ENERGY: 4607800 771.6333 2069.9343 1948.9351 138.3988 -205923.6449 17491.1627 0.0000 0.0000 33855.0163 -149648.5645 295.6643 -183503.5807 -149553.1439 297.6761 -182.1341 -154.7385 555891.2007 -10.9653 -10.8662 PRESSURE: 4608000 -28.3408 217.334 -100.726 217.335 115.568 54.1227 -100.726 54.1228 26.0906 GPRESSURE: 4608000 54.0711 224.653 -125.024 217.852 90.9193 79.7837 -18.9589 20.6903 62.106 PRESSAVG: 4608000 23.3692 23.5147 -46.4131 23.5146 27.1156 11.925 -46.4132 11.925 -2.15319 GPRESSAVG: 4608000 22.3885 24.2947 -48.4109 24.3552 27.5989 12.7107 -44.2308 10.5338 -1.43628 TIMING: 4608000 CPU: 13389.4, 0.00291581/step Wall: 13389.4, 0.00291581/step, 0.317499 hours remaining, 207.753906 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: 4608000 722.3886 2098.5356 1947.0117 108.0283 -206636.7024 17896.2765 0.0000 0.0000 34138.9042 -149725.5574 298.1435 -183864.4616 -149621.8186 297.2759 37.7726 69.0322 556324.1677 16.1105 16.1837 PRESSURE: 4608200 -124.184 -54.7375 -40.1143 -54.7376 -122.288 -62.0343 -40.1125 -62.0359 -235.417 GPRESSURE: 4608200 -116.214 -50.9916 -27.1783 -63.0419 -71.0148 -36.9997 -83.9789 -102.14 -197.742 PRESSAVG: 4608200 -22.9259 28.0806 -38.4058 28.0807 -11.1994 0.492231 -38.4057 0.492073 1.26815 GPRESSAVG: 4608200 -21.9851 27.6 -36.2513 29.5766 -12.0659 -2.18705 -41.1797 2.99061 1.40553 TIMING: 4608200 CPU: 13389.9, 0.00287728/step Wall: 13389.9, 0.00287728/step, 0.313144 hours remaining, 207.753906 MB of memory in use. ENERGY: 4608200 784.0360 2113.5012 1963.8470 107.4868 -206154.3927 17562.2299 0.0000 0.0000 34117.3655 -149505.9263 297.9554 -183623.2919 -149409.5978 298.7022 -160.6296 -128.3235 556682.1357 -10.9524 -10.8818 LDB: ============= START OF LOAD BALANCING ============== 13393.4 LDB: ============== END OF LOAD BALANCING =============== 13393.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13393.4 LDB: ============= START OF LOAD BALANCING ============== 13393.7 LDB: Largest compute 4848 load 0.030822 is 26.1% of average load 0.117880 LDB: Average compute 0.001728 is 1.5% of average load 0.117880 LDB: TIME 13393.7 LOAD: AVG 0.11788 MAX 0.181843 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 13393.7 LOAD: AVG 0.11788 MAX 0.181843 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: TIME 13393.7 LOAD: AVG 0.11788 MAX 0.181843 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13393.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13393.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 4608400 50.3619 188.809 -23.5951 188.808 -114.491 -57.125 -23.5958 -57.1225 141.587 GPRESSURE: 4608400 60.7098 175.721 -57.2425 230.411 -32.3041 56.6266 -32.8923 -46.167 144.639 PRESSAVG: 4608400 54.0939 32.6668 -18.2214 32.6668 -39.4987 12.5325 -18.2215 12.5326 -4.03813 GPRESSAVG: 4608400 53.8482 30.6461 -17.6964 33.3938 -38.5418 13.0177 -18.8857 11.9922 -4.85245 TIMING: 4608400 CPU: 13390.5, 0.00295434/step Wall: 13390.5, 0.00295434/step, 0.321367 hours remaining, 206.554688 MB of memory in use. ENERGY: 4608400 766.9492 2105.8626 1966.5559 116.5906 -206623.1019 18037.6307 0.0000 0.0000 34101.8843 -149527.6286 297.8202 -183629.5128 -149431.8012 298.2835 25.8192 57.6817 556797.7072 3.5190 3.4847 PRESSURE: 4608600 88.0886 112.138 166.817 112.138 -1.2623 -9.06837 166.817 -9.06787 89.4581 GPRESSURE: 4608600 185.809 83.7909 216.016 165.733 15.891 -12.4553 192.311 -7.69668 71.7089 PRESSAVG: 4608600 42.4439 13.0228 21.4047 13.0226 -39.9217 -16.9736 21.4048 -16.9737 54.1899 GPRESSAVG: 4608600 42.4144 17.0012 20.1907 9.78976 -40.1604 -15.8623 25.0923 -17.1663 54.7199 TIMING: 4608600 CPU: 13391.1, 0.00291388/step Wall: 13391.1, 0.00291387/step, 0.316803 hours remaining, 206.878906 MB of memory in use. ENERGY: 4608600 731.5405 2090.7229 1972.2716 109.3079 -206455.7880 17938.1898 0.0000 0.0000 34264.6131 -149349.1422 299.2414 -183613.7553 -149251.1668 298.6767 58.7614 91.1363 557702.8924 18.9040 18.9913 PRESSURE: 4608800 -258.37 -8.89629 79.0422 -8.89735 -152.761 1.57181 79.0436 1.5718 -319.205 GPRESSURE: 4608800 -205.127 54.139 88.1968 -31.0765 -131.574 73.4159 25.5554 50.1618 -299.555 PRESSAVG: 4608800 11.5527 11.1733 -1.56583 11.1732 -3.82957 -27.1347 -1.56569 -27.1346 38.3487 GPRESSAVG: 4608800 12.7007 7.73436 -0.993674 12.6852 -4.33685 -27.3372 -3.93172 -26.4276 37.9113 TIMING: 4608800 CPU: 13391.7, 0.00291049/step Wall: 13391.7, 0.00291049/step, 0.316274 hours remaining, 206.878906 MB of memory in use. ENERGY: 4608800 757.0090 2113.4214 1964.1196 110.5642 -205887.3987 17265.9596 0.0000 0.0000 34314.0221 -149362.3029 299.6729 -183676.3250 -149264.6378 298.8135 -243.4453 -212.0853 556953.0190 15.3573 15.4251 PRESSURE: 4609000 132.6 4.8271 29.2372 4.82761 -171.15 124.904 29.2382 124.903 227.856 GPRESSURE: 4609000 167.512 -54.6401 26.6713 -56.3346 -97.2611 183.418 74.5608 88.3917 220.004 PRESSAVG: 4609000 13.4581 -37.3024 -18.1099 -37.3024 -79.402 2.77309 -18.1098 2.77308 72.9487 GPRESSAVG: 4609000 11.9901 -36.3586 -15.4453 -36.8265 -79.0851 2.57803 -18.7622 -0.416215 73.8507 TIMING: 4609000 CPU: 13392.3, 0.00293139/step Wall: 13392.3, 0.00293139/step, 0.318381 hours remaining, 206.878906 MB of memory in use. ENERGY: 4609000 724.9997 2071.6800 1952.6029 114.0944 -206338.2872 17786.1155 0.0000 0.0000 34356.7969 -149331.9979 300.0465 -183688.7948 -149243.4402 299.0217 63.1021 96.7519 555925.0569 2.3349 2.2519 PRESSURE: 4609200 -115.36 -137.605 -173.343 -137.605 -184.165 69.0452 -173.343 69.0459 -235.736 GPRESSURE: 4609200 -68.8002 -66.8721 -130.994 -177.238 -192.487 28.8479 -157.746 100.285 -176.793 PRESSAVG: 4609200 70.5933 -15.7166 -2.40944 -15.7166 -68.0978 1.35281 -2.40941 1.35279 0.749486 GPRESSAVG: 4609200 70.7877 -13.3757 -4.31924 -17.334 -67.6764 0.42067 -0.91306 3.64337 0.231771 TIMING: 4609200 CPU: 13392.9, 0.00293373/step Wall: 13392.9, 0.00293373/step, 0.318473 hours remaining, 206.878906 MB of memory in use. ENERGY: 4609200 737.7753 2071.7450 1945.3608 110.3284 -205881.8532 17524.0720 0.0000 0.0000 34174.4185 -149318.1533 298.4537 -183492.5717 -149223.0662 298.5198 -178.4200 -146.0270 557761.5453 1.0817 1.1143 PRESSURE: 4609400 29.347 -217.859 29.8166 -217.859 -36.8017 127.662 29.8149 127.661 -286.616 GPRESSURE: 4609400 29.7296 -147.447 13.3418 -151.126 55.8169 105.934 38.6705 119.535 -267.935 PRESSAVG: 4609400 54.2097 -16.2442 -29.9036 -16.2442 41.1148 24.881 -29.9036 24.8809 -28.6726 GPRESSAVG: 4609400 54.0318 -17.7275 -28.9989 -15.0171 41.4097 25.0193 -30.5768 25.3145 -28.2773 TIMING: 4609400 CPU: 13393.5, 0.00294997/step Wall: 13393.5, 0.00294997/step, 0.320072 hours remaining, 206.878906 MB of memory in use. ENERGY: 4609400 736.1236 2104.0738 1975.2293 108.2254 -206128.5782 17726.4151 0.0000 0.0000 34311.2037 -149167.3072 299.6483 -183478.5109 -149075.4962 298.8152 -98.0237 -60.7960 557365.2823 22.2173 22.3881 PRESSURE: 4609600 -195.087 -91.2336 108.14 -91.2345 182.48 105.968 108.14 105.97 191.449 GPRESSURE: 4609600 -121.395 -103.336 59.9611 -42.6736 196.05 247.563 160.744 78.5751 203.968 PRESSAVG: 4609600 -30.5247 49.6083 -17.8631 49.6083 55.7113 34.6228 -17.8632 34.6229 -55.2514 GPRESSAVG: 4609600 -31.6078 49.26 -19.3318 47.9025 57.0068 34.9642 -18.3673 33.739 -55.5564 TIMING: 4609600 CPU: 13394, 0.00292642/step Wall: 13394, 0.00292642/step, 0.317354 hours remaining, 206.878906 MB of memory in use. ENERGY: 4609600 732.2324 2112.4934 1947.6052 123.2847 -206038.7879 17769.0777 0.0000 0.0000 34138.3810 -149215.7135 298.1390 -183354.0945 -149117.9406 299.3231 59.6139 92.8746 556549.2234 -10.0216 -10.0525 PRESSURE: 4609800 -196.88 -26.0018 93.339 -26.0013 -78.5706 62.4798 93.3391 62.4789 -93.3949 GPRESSURE: 4609800 -228.706 -71.1065 59.1001 30.0008 -15.1667 0.3687 146.017 109.358 -40.0629 PRESSAVG: 4609800 -10.8761 -39.9868 -15.4315 -39.9869 -15.3399 21.8526 -15.4315 21.8525 17.645 GPRESSAVG: 4609800 -11.0315 -40.4227 -15.0195 -39.1797 -15.4088 20.9892 -14.6437 23.1754 17.3162 TIMING: 4609800 CPU: 13394.6, 0.00293451/step Wall: 13394.6, 0.00293451/step, 0.318069 hours remaining, 206.878906 MB of memory in use. ENERGY: 4609800 740.5484 2092.1887 1970.7829 106.0640 -205970.9101 17661.4807 0.0000 0.0000 34219.0280 -149180.8173 298.8433 -183399.8453 -149082.5034 298.5513 -122.9483 -94.6451 559179.2393 -2.8570 -3.0414 PRESSURE: 4610000 -198.613 -136.667 -97.655 -136.668 -8.56219 -252.422 -97.6561 -252.422 -132.863 GPRESSURE: 4610000 -191.193 -118.847 -120.908 -103.555 43.5727 -138.124 -154.903 -284.517 -105.15 PRESSAVG: 4610000 54.0657 -2.23854 2.88369 -2.23863 -34.9241 -8.64803 2.88359 -8.6481 3.16418 GPRESSAVG: 4610000 56.2171 -2.76562 4.12214 -0.296569 -36.6726 -9.08631 2.71518 -8.63697 3.25099 TIMING: 4610000 CPU: 13395.2, 0.00291422/step Wall: 13395.2, 0.00291422/step, 0.315707 hours remaining, 206.878906 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: 4610000 756.2284 2114.3550 1951.4525 103.9668 -205890.9884 17641.6217 0.0000 0.0000 34196.0024 -149127.3616 298.6422 -183323.3640 -149025.1140 299.5888 -113.3462 -84.2566 559456.5209 7.4352 7.5985 PRESSURE: 4610200 -238.095 28.1068 60.2782 28.1064 5.24279 -44.6234 60.2773 -44.6241 -149.579 GPRESSURE: 4610200 -221.745 20.6702 106.736 28.3816 43.911 37.3879 51.8153 -110.498 -114.721 PRESSAVG: 4610200 11.0412 3.64211 -36.0164 3.64208 -57.1246 -29.0108 -36.0163 -29.0108 30.9947 GPRESSAVG: 4610200 9.55169 4.41616 -36.3663 0.827206 -57.1046 -28.6658 -35.2961 -28.4426 32.0455 TIMING: 4610200 CPU: 13395.8, 0.00289577/step Wall: 13395.8, 0.00289577/step, 0.313548 hours remaining, 206.878906 MB of memory in use. ENERGY: 4610200 764.4301 2121.8142 1948.0774 102.2073 -205836.5228 17541.9322 0.0000 0.0000 34268.7839 -149089.2777 299.2778 -183358.0617 -148991.0464 299.4511 -127.4769 -97.5182 558042.0538 -5.0296 -5.1691 PRESSURE: 4610400 18.5941 -71.0557 -99.662 -71.056 -240.659 146.461 -99.6625 146.46 -115.689 GPRESSURE: 4610400 100.578 -74.4872 -27.9676 -23.8088 -177.982 183.353 -109.485 156.933 -161.638 PRESSAVG: 4610400 -20.1729 34.9999 27.4369 34.9999 92.3231 -8.19171 27.437 -8.19164 -38.2624 GPRESSAVG: 4610400 -19.4302 34.8333 27.2206 36.2985 93.0026 -7.77036 27.6011 -9.39273 -39.603 TIMING: 4610400 CPU: 13396.4, 0.00289933/step Wall: 13396.4, 0.00289933/step, 0.313772 hours remaining, 206.878906 MB of memory in use. ENERGY: 4610400 748.1571 2068.6208 1956.0038 109.4882 -205999.7124 17643.7965 0.0000 0.0000 34406.7242 -149066.9218 300.4825 -183473.6460 -148968.3769 299.8294 -112.5849 -79.6807 558516.1394 11.2959 11.3231 PRESSURE: 4610600 -327.767 -20.1854 222.036 -20.1861 -57.8408 1.29656 222.036 1.29535 -60.9231 GPRESSURE: 4610600 -256.805 -8.61886 149.869 65.9677 -19.5188 119.904 188.579 -46.0647 -89.6549 PRESSAVG: 4610600 -6.25272 -36.9359 4.39723 -36.9359 13.4724 6.83917 4.39734 6.83904 -31.137 GPRESSAVG: 4610600 -5.23743 -38.4458 4.14844 -34.8684 11.9345 6.66745 4.90749 8.70744 -30.323 TIMING: 4610600 CPU: 13397, 0.00291102/step Wall: 13397, 0.00291102/step, 0.314876 hours remaining, 206.878906 MB of memory in use. ENERGY: 4610600 776.4820 2083.7700 1946.4302 109.3235 -205891.7892 17616.3824 0.0000 0.0000 34441.2483 -148918.1528 300.7840 -183359.4011 -148819.1626 300.0068 -148.8437 -121.9929 558826.9461 -7.9724 -7.8753 PRESSURE: 4610800 -185.552 -7.86234 -28.965 -7.86173 61.1234 -143.382 -28.9646 -143.384 -122.354 GPRESSURE: 4610800 -123.085 24.8212 -26.2015 -4.58977 68.2482 -100.526 26.3542 -142.106 -99.475 PRESSAVG: 4610800 -21.9395 -33.4094 -52.2135 -33.4094 -10.9773 -34.248 -52.2136 -34.2481 6.30137 GPRESSAVG: 4610800 -22.8052 -30.5677 -53.2146 -36.2528 -10.5578 -36.1134 -52.1902 -34.8429 5.91971 TIMING: 4610800 CPU: 13397.5, 0.00291975/step Wall: 13397.5, 0.00291975/step, 0.315657 hours remaining, 206.878906 MB of memory in use. ENERGY: 4610800 779.1148 2093.3565 1959.2283 110.7915 -205989.9368 17732.7902 0.0000 0.0000 34277.1349 -149037.5206 299.3507 -183314.6555 -148939.3766 300.3411 -82.2609 -51.4371 557773.6943 -8.8718 -9.1478 PRESSURE: 4611000 92.5497 25.4082 4.75425 25.4086 -180.05 23.6432 4.75383 23.6435 -133.599 GPRESSURE: 4611000 99.6051 33.677 -3.11475 -34.1546 -165.404 55.5524 5.0423 -62.1872 -49.9781 PRESSAVG: 4611000 -65.6063 16.1894 -15.009 16.1895 48.4046 -34.4151 -15.009 -34.4152 1.25155 GPRESSAVG: 4611000 -64.7741 14.4064 -12.1806 17.0786 48.3472 -33.2272 -17.4348 -35.0899 -0.401306 TIMING: 4611000 CPU: 13398.1, 0.00291474/step Wall: 13398.1, 0.00291474/step, 0.314954 hours remaining, 206.878906 MB of memory in use. ENERGY: 4611000 738.1064 2174.8280 1961.8650 123.8726 -205742.7241 17686.7502 0.0000 0.0000 34221.6139 -148835.6881 298.8659 -183057.3020 -148745.2674 299.7613 -73.6995 -38.5923 559484.8384 -5.3167 -5.6094 PRESSURE: 4611200 -58.4758 -1.31745 137.079 -1.31771 -207.905 -68.7303 137.078 -68.73 -129.101 GPRESSURE: 4611200 -55.1805 14.7385 84.4486 -46.8879 -144.336 -34.8292 113.268 -64.014 -95.3387 PRESSAVG: 4611200 71.4584 -28.7765 37.1029 -28.7766 -85.0497 -1.36614 37.1029 -1.36607 49.1855 GPRESSAVG: 4611200 69.695 -27.8549 34.9614 -28.7949 -84.7824 -2.92605 38.4518 -1.03487 50.4414 TIMING: 4611200 CPU: 13398.7, 0.00292238/step Wall: 13398.7, 0.00292238/step, 0.315617 hours remaining, 206.878906 MB of memory in use. ENERGY: 4611200 792.9302 2106.0632 1969.2371 115.4671 -205876.7213 17828.7839 0.0000 0.0000 34051.7239 -149012.5160 297.3822 -183064.2399 -148912.8303 300.3014 -131.8270 -98.2852 557981.2950 11.8648 11.7847 PRESSURE: 4611400 -262.053 -97.4685 -87.8766 -97.4698 1.78414 -24.5599 -87.8762 -24.5595 -291.173 GPRESSURE: 4611400 -235.125 -84.2604 -52.1055 -18.4374 21.4245 -27.9205 -15.5548 4.52397 -233.455 PRESSAVG: 4611400 -2.39628 -16.4865 10.4256 -16.4865 -1.54364 26.4275 10.4257 26.4275 31.1035 GPRESSAVG: 4611400 -3.23813 -14.4088 12.9736 -16.7085 -0.89158 27.53 7.53676 26.8681 31.5791 TIMING: 4611400 CPU: 13399.3, 0.00290521/step Wall: 13399.3, 0.00290521/step, 0.313602 hours remaining, 206.878906 MB of memory in use. ENERGY: 4611400 751.8442 2111.3950 1943.5001 124.5637 -206283.5907 17870.2831 0.0000 0.0000 34450.9076 -149031.0970 300.8683 -183482.0045 -148934.5458 299.7309 -183.8139 -149.0519 559783.8313 9.0545 9.1498 PRESSURE: 4611600 -370.923 325.4 -40.2781 325.401 -115.385 59.655 -40.279 59.6548 25.438 GPRESSURE: 4611600 -305.292 272.92 -41.2751 286.132 -81.3486 128.192 -8.21877 -0.0645065 9.60588 PRESSAVG: 4611600 -45.7179 -28.2172 -0.698018 -28.2173 56.2926 12.7218 -0.698067 12.7217 18.4623 GPRESSAVG: 4611600 -43.5837 -31.2202 -2.80323 -26.2086 55.9358 13.7822 2.68129 13.4767 17.3296 TIMING: 4611600 CPU: 13399.9, 0.00291649/step Wall: 13399.9, 0.00291649/step, 0.314656 hours remaining, 206.878906 MB of memory in use. ENERGY: 4611600 754.5200 2082.5455 1949.9669 108.6079 -205945.4808 17657.0388 0.0000 0.0000 34319.7702 -149073.0315 299.7231 -183392.8017 -148977.5675 299.9502 -153.6232 -125.6783 559285.3679 9.6790 9.8939 PRESSURE: 4611800 232.155 24.5645 98.3246 24.5646 -352.9 -92.487 98.3241 -92.4877 -204.496 GPRESSURE: 4611800 263.655 116.551 165.116 4.00074 -297.8 -11.9964 -45.0951 -121.818 -206.062 PRESSAVG: 4611800 5.55177 -34.7909 -62.2621 -34.7909 -30.3776 10.7853 -62.2621 10.7852 33.5646 GPRESSAVG: 4611800 5.03655 -32.5701 -61.5841 -35.3482 -31.3713 11.95 -62.7207 9.73173 34.7634 TIMING: 4611800 CPU: 13400.4, 0.00289457/step Wall: 13400.4, 0.00289457/step, 0.312131 hours remaining, 206.878906 MB of memory in use. ENERGY: 4611800 773.8860 2077.6432 1949.6529 133.5494 -206282.5961 17815.6331 0.0000 0.0000 34195.9219 -149336.3096 298.6415 -183532.2315 -149241.4043 299.2726 -108.4135 -80.0691 559819.4518 2.9129 2.8096 PRESSURE: 4612000 -333.563 -47.4122 -126.3 -47.412 156.857 38.6813 -126.299 38.6799 -8.86631 GPRESSURE: 4612000 -317.397 -99.4876 -199.627 -107.35 200.069 -19.9708 -58.001 -39.2946 34.1717 PRESSAVG: 4612000 6.03483 -17.0485 -41.591 -17.0485 51.5379 -9.31052 -41.5911 -9.31056 -43.0206 GPRESSAVG: 4612000 5.35738 -17.0934 -41.2277 -19.0468 52.759 -8.34957 -41.8733 -10.4793 -43.7419 TIMING: 4612000 CPU: 13401, 0.00290075/step Wall: 13401, 0.00290075/step, 0.312636 hours remaining, 206.878906 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: 4612000 792.9230 2069.2602 1944.9084 112.2065 -206276.6872 17880.4142 0.0000 0.0000 34201.5127 -149275.4622 298.6903 -183476.9749 -149189.8780 298.7034 -61.8577 -27.7187 558797.1435 4.8507 4.7915 PRESSURE: 4612200 -56.9063 92.8952 -115.617 92.8948 60.013 17.2117 -115.617 17.2131 -133.82 GPRESSURE: 4612200 -3.33557 21.8209 -136.103 141.981 49.2527 -59.9583 -107.524 10.1036 -67.4905 PRESSAVG: 4612200 13.6478 -18.1316 2.72638 -18.1316 -4.94786 -1.95938 2.72639 -1.95948 -7.329 GPRESSAVG: 4612200 14.6711 -17.3003 2.50179 -18.9852 -5.97127 -3.54118 3.69277 -0.877865 -7.51811 TIMING: 4612200 CPU: 13401.6, 0.00287968/step Wall: 13401.6, 0.00287968/step, 0.310205 hours remaining, 206.878906 MB of memory in use. ENERGY: 4612200 719.1858 2101.1692 1955.5506 97.7484 -206558.6779 17979.0792 0.0000 0.0000 34249.4136 -149456.5310 299.1086 -183705.9446 -149353.3254 299.1457 -43.5712 -7.1911 560878.8529 0.4570 0.3939 LDB: ============= START OF LOAD BALANCING ============== 13405.1 LDB: ============== END OF LOAD BALANCING =============== 13405.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13405.1 LDB: ============= START OF LOAD BALANCING ============== 13405.4 LDB: Largest compute 4848 load 0.030307 is 25.7% of average load 0.117820 LDB: Average compute 0.001731 is 1.5% of average load 0.117820 LDB: TIME 13405.4 LOAD: AVG 0.11782 MAX 0.182236 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 13405.4 LOAD: AVG 0.11782 MAX 0.182236 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.766 MB LDB: TIME 13405.4 LOAD: AVG 0.11782 MAX 0.182236 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13405.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13405.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4612400 109.048 91.2306 74.6943 91.2312 -22.7506 -179.65 74.6952 -179.651 -116.386 GPRESSURE: 4612400 119.296 66.7878 98.772 52.0185 -18.7039 -200.316 44.3061 -226.702 -38.8552 PRESSAVG: 4612400 38.1175 -21.7712 9.04456 -21.7713 -41.6083 14.1553 9.04459 14.1553 -6.65208 GPRESSAVG: 4612400 37.831 -23.1863 9.65403 -19.2097 -41.1883 12.5177 9.7801 15.3524 -6.69628 TIMING: 4612400 CPU: 13402.2, 0.00295212/step Wall: 13402.2, 0.00295212/step, 0.317845 hours remaining, 207.742188 MB of memory in use. ENERGY: 4612400 754.2798 2128.2239 1973.2971 89.1866 -206566.9836 17865.5328 0.0000 0.0000 34198.8327 -149557.6306 298.6669 -183756.4634 -149468.0418 297.7974 -10.0296 20.5790 558743.2186 -3.3810 -3.3512 PRESSURE: 4612600 -130.911 200.244 -238.143 200.243 -142.428 -25.2986 -238.143 -25.297 118.817 GPRESSURE: 4612600 -56.6728 169.242 -230.919 200.597 -114.517 -31.1966 -210.389 21.2872 103.737 PRESSAVG: 4612600 74.3576 8.16396 -44.8856 8.16402 -17.241 -30.7347 -44.8856 -30.7348 14.2627 GPRESSAVG: 4612600 75.3742 8.75223 -45.9132 7.68188 -17.3348 -29.7626 -46.2455 -32.3538 13.5962 TIMING: 4612600 CPU: 13402.8, 0.00288318/step Wall: 13402.8, 0.00288318/step, 0.310262 hours remaining, 207.742188 MB of memory in use. ENERGY: 4612600 724.9517 2091.7564 1935.9898 118.0160 -206380.7778 17853.9841 0.0000 0.0000 34370.2501 -149285.8297 300.1639 -183656.0798 -149191.9340 298.4199 -51.5076 -22.4843 558194.3670 23.7931 23.8786 PRESSURE: 4612800 -48.1303 -77.8682 -5.81796 -77.8676 -1.81039 55.1282 -5.81867 55.1293 -94.0929 GPRESSURE: 4612800 -35.6662 -84.641 -32.2143 -29.0698 79.155 8.92261 38.5082 92.2255 -103.613 PRESSAVG: 4612800 55.6864 22.7744 -54.4369 22.7744 4.17889 -3.95374 -54.4369 -3.95368 -39.9229 GPRESSAVG: 4612800 54.8434 22.8276 -54.484 21.6426 4.80407 -4.39723 -55.3581 -2.49714 -39.5124 TIMING: 4612800 CPU: 13403.4, 0.00289588/step Wall: 13403.4, 0.00289588/step, 0.311468 hours remaining, 207.742188 MB of memory in use. ENERGY: 4612800 774.1434 2094.1966 1967.5109 109.8176 -206528.8177 17870.8828 0.0000 0.0000 34395.4236 -149316.8428 300.3838 -183712.2664 -149219.2831 298.9955 -48.0112 -20.0413 556188.6606 6.6475 6.7117 PRESSURE: 4613000 -107.246 -83.4301 -38.3429 -83.4293 -30.6105 0.068738 -38.3431 0.0687468 -187.562 GPRESSURE: 4613000 -83.5107 -87.8811 -42.9931 -15.9462 -25.8739 29.9253 -82.2758 -8.13414 -119.929 PRESSAVG: 4613000 3.9352 6.67755 12.5388 6.67752 -10.3851 64.6193 12.5389 64.6193 15.6646 GPRESSAVG: 4613000 3.97877 8.04726 11.9062 8.15369 -12.6289 64.2224 12.2512 64.1119 18.117 TIMING: 4613000 CPU: 13403.9, 0.00288215/step Wall: 13403.9, 0.00288215/step, 0.309832 hours remaining, 207.742188 MB of memory in use. ENERGY: 4613000 739.7385 2152.2688 1945.0130 118.5746 -206286.7178 17653.7309 0.0000 0.0000 34366.0393 -149311.3527 300.1272 -183677.3921 -149214.4917 299.4093 -108.4729 -76.4380 556352.8172 3.0716 3.1556 PRESSURE: 4613200 276.477 -51.5018 163.988 -51.5024 -52.1778 182.163 163.988 182.162 -199.943 GPRESSURE: 4613200 269.554 -21.77 235.86 -125.071 15.0801 113.489 97.9899 138.593 -162.398 PRESSAVG: 4613200 32.4313 -10.9785 -4.59859 -10.9785 37.6088 56.6362 -4.59862 56.6362 -56.6076 GPRESSAVG: 4613200 33.0234 -11.1946 -3.55821 -12.0591 38.6783 59.4433 -3.87382 54.4411 -57.973 TIMING: 4613200 CPU: 13404.5, 0.00289191/step Wall: 13404.5, 0.00289191/step, 0.310719 hours remaining, 207.742188 MB of memory in use. ENERGY: 4613200 753.7386 2048.9122 1962.4707 106.8778 -206491.9958 18107.7209 0.0000 0.0000 34068.9522 -149443.3234 297.5326 -183512.2756 -149349.7891 299.3693 8.1187 40.7456 556583.4685 4.4775 4.5762 PRESSURE: 4613400 -44.5864 -162.194 84.7669 -162.193 -135.69 -4.54019 84.7657 -4.5397 -371.556 GPRESSURE: 4613400 -73.438 -144.012 139.757 -190.063 -83.5201 -88.7691 82.0053 -45.9673 -288.393 PRESSAVG: 4613400 22.9345 -17.0824 -46.5142 -17.0824 -23.1348 -12.2851 -46.5142 -12.2852 9.16292 GPRESSAVG: 4613400 21.2988 -17.8809 -46.2544 -16.9947 -22.9064 -13.4895 -46.7102 -10.8069 10.3719 TIMING: 4613400 CPU: 13405.1, 0.00288291/step Wall: 13405.1, 0.00288291/step, 0.309593 hours remaining, 207.742188 MB of memory in use. ENERGY: 4613400 766.0840 2069.7461 1960.6231 123.8067 -206178.0679 17653.3588 0.0000 0.0000 34050.6323 -149553.8169 297.3726 -183604.4492 -149450.7042 298.1071 -183.9439 -148.4505 557136.3626 2.9875 2.9214 PRESSURE: 4613600 187.834 -90.3107 -61.1711 -90.3103 67.4443 -100.414 -61.1713 -100.415 -41.0371 GPRESSURE: 4613600 205.853 -132.063 -59.5737 -78.0561 85.8779 -57.1049 -79.0782 -77.0478 22.2669 PRESSAVG: 4613600 41.3818 -58.5081 -2.63078 -58.5082 -13.0494 -28.1632 -2.63081 -28.1632 -52.1075 GPRESSAVG: 4613600 42.2371 -58.8815 -1.90827 -57.3549 -14.0613 -28.8722 -2.47654 -26.7258 -52.027 TIMING: 4613600 CPU: 13405.7, 0.00287235/step Wall: 13405.7, 0.00287235/step, 0.308299 hours remaining, 207.742188 MB of memory in use. ENERGY: 4613600 764.2851 2048.3726 1985.3981 116.6646 -206466.8621 17964.5358 0.0000 0.0000 34207.0241 -149380.5818 298.7384 -183587.6059 -149281.2697 299.1645 71.4138 104.6658 556132.8664 -7.9251 -7.9504 PRESSURE: 4613800 -61.4514 0.786158 -2.0383 0.786636 -238.167 103.976 -2.03923 103.978 -58.124 GPRESSURE: 4613800 -53.9404 8.12116 63.1524 -27.4181 -187.286 -0.101039 21.0169 166.077 -14.1636 PRESSAVG: 4613800 43.8221 -2.78006 8.04082 -2.7801 -5.92975 -4.33153 8.04079 -4.33154 -9.0892 GPRESSAVG: 4613800 44.2814 -2.61458 6.72037 -3.3033 -5.47148 -5.34828 7.86708 -2.9907 -10.0006 TIMING: 4613800 CPU: 13406.2, 0.00290919/step Wall: 13406.2, 0.00290919/step, 0.312091 hours remaining, 207.742188 MB of memory in use. ENERGY: 4613800 703.4119 2112.8769 1956.0993 114.4603 -206269.4861 17784.2836 0.0000 0.0000 34352.3327 -149246.0213 300.0075 -183598.3540 -149142.7223 299.7702 -119.2475 -85.1299 556997.3148 9.6010 9.6031 PRESSURE: 4614000 -53.3693 -179.065 8.01847 -179.066 270.904 -93.4765 8.01858 -93.4769 -2.09235 GPRESSURE: 4614000 31.5687 -192.616 37.2477 -188.589 249.828 -78.731 -11.1841 -67.7111 29.185 PRESSAVG: 4614000 38.1214 -11.579 -28.6451 -11.579 -23.0628 15.7533 -28.6451 15.7533 -5.16928 GPRESSAVG: 4614000 37.492 -11.4715 -27.355 -11.4854 -23.4493 18.4142 -29.2818 12.8225 -4.68341 TIMING: 4614000 CPU: 13406.8, 0.00288626/step Wall: 13406.8, 0.00288626/step, 0.309471 hours remaining, 207.742188 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: 4614000 727.6245 2080.0549 1952.7766 119.1982 -206524.4809 17932.4021 0.0000 0.0000 34436.8210 -149275.6036 300.7453 -183712.4246 -149174.7623 299.4115 71.8141 103.5274 557332.8509 3.2964 3.1198 PRESSURE: 4614200 61.836 -13.9843 51.5261 -13.9853 -80.2896 -173.854 51.5253 -173.853 -223.465 GPRESSURE: 4614200 74.2893 14.7483 104.784 35.0508 -44.2718 -181.06 38.4833 -188.036 -179.719 PRESSAVG: 4614200 39.7209 -7.92826 17.3168 -7.92833 38.3959 -16.471 17.3168 -16.4711 -47.6956 GPRESSAVG: 4614200 39.8876 -6.33813 15.3799 -9.20495 38.7996 -16.9125 17.6307 -16.3619 -48.2733 TIMING: 4614200 CPU: 13407.4, 0.00290426/step Wall: 13407.4, 0.00290426/step, 0.31124 hours remaining, 207.742188 MB of memory in use. ENERGY: 4614200 761.1211 2090.1191 1962.3934 106.4737 -206052.8242 17651.2343 0.0000 0.0000 34320.4819 -149161.0006 299.7293 -183481.4825 -149066.5565 299.1224 -80.6394 -49.9004 556786.1779 10.1404 10.1380 PRESSURE: 4614400 -32.9125 91.3588 -134.452 91.3586 74.4742 -11.8613 -134.453 -11.8607 -105.249 GPRESSURE: 4614400 -4.59764 47.5828 -171.901 119.921 116.492 19.2944 -78.4825 -41.1296 -81.6446 PRESSAVG: 4614400 8.42319 4.73563 -27.8856 4.73555 -74.2041 -14.5839 -27.8855 -14.584 36.3034 GPRESSAVG: 4614400 9.06117 5.31733 -27.6072 4.66815 -74.0754 -15.3335 -28.7139 -14.6583 35.3319 TIMING: 4614400 CPU: 13408, 0.00290625/step Wall: 13408, 0.00290625/step, 0.311291 hours remaining, 207.742188 MB of memory in use. ENERGY: 4614400 713.1893 2141.1613 1959.6602 120.2449 -205946.2989 17774.5672 0.0000 0.0000 34144.9420 -149092.5339 298.1963 -183237.4759 -148996.2987 299.6819 -21.2290 10.0831 557400.6178 -9.8258 -9.8941 PRESSURE: 4614600 63.4061 -20.3394 105.898 -20.3397 304.719 -112.447 105.898 -112.447 -219.759 GPRESSURE: 4614600 102.668 -13.1639 24.0839 -93.8344 343.78 -143.894 132.996 -83.764 -193.431 PRESSAVG: 4614600 2.32164 10.5887 5.95347 10.5886 61.0621 -22.4709 5.9535 -22.4709 -46.316 GPRESSAVG: 4614600 2.33613 8.71985 7.48295 12.9254 59.7683 -21.9494 5.83419 -22.6502 -44.575 TIMING: 4614600 CPU: 13408.6, 0.00290656/step Wall: 13408.6, 0.00290656/step, 0.311163 hours remaining, 207.742188 MB of memory in use. ENERGY: 4614600 754.1170 2088.9935 1969.5701 107.9884 -206502.6697 18063.5914 0.0000 0.0000 34400.5413 -149117.8679 300.4285 -183518.4092 -149029.0427 299.3527 49.4554 84.3391 557904.1379 5.6892 5.8431 PRESSURE: 4614800 -44.0833 -7.04233 12.2568 -7.04225 172.972 100.93 12.2553 100.929 27.4478 GPRESSURE: 4614800 9.84816 -24.9257 -7.13449 -105.668 169.843 230.878 55.9446 114.553 63.8637 PRESSAVG: 4614800 64.615 2.71559 61.4102 2.71564 -57.0212 -30.7864 61.4102 -30.7864 -17.7161 GPRESSAVG: 4614800 64.4721 1.92631 61.975 1.95791 -55.8226 -31.8381 61.2421 -29.1506 -19.1668 TIMING: 4614800 CPU: 13409.1, 0.00290855/step Wall: 13409.1, 0.00290856/step, 0.311215 hours remaining, 207.742188 MB of memory in use. ENERGY: 4614800 711.8558 2057.7946 1956.2360 119.6960 -206169.9312 17904.2912 0.0000 0.0000 34154.0426 -149266.0151 298.2757 -183420.0577 -149168.8374 299.2056 52.1121 81.1849 558197.7560 -3.3741 -3.5058 PRESSURE: 4615000 180.866 109.306 5.76878 109.307 138.722 6.55671 5.76844 6.55551 91.6591 GPRESSURE: 4615000 164.374 157.823 49.101 74.8192 162.055 -73.7907 39.2074 22.3216 174.103 PRESSAVG: 4615000 -37.9195 -35.3368 -5.74858 -35.3369 -3.34609 -49.747 -5.74862 -49.7471 38.6484 GPRESSAVG: 4615000 -38.7242 -32.82 -7.43275 -35.1366 -2.94485 -49.7782 -4.34781 -49.5195 39.3904 TIMING: 4615000 CPU: 13409.7, 0.00291283/step Wall: 13409.7, 0.00291283/step, 0.311511 hours remaining, 207.742188 MB of memory in use. ENERGY: 4615000 732.4278 2090.5560 1975.7022 128.8599 -206354.5959 17952.2137 0.0000 0.0000 34321.0787 -149153.7577 299.7345 -183474.8364 -149061.3120 299.7069 137.0826 166.8439 557251.6704 -0.8724 -0.7595 PRESSURE: 4615200 -1.38838 16.893 105.686 16.8924 101.819 18.108 105.686 18.1072 99.1549 GPRESSURE: 4615200 -24.1057 9.16551 64.5757 -10.433 179.815 52.2319 98.9466 4.42925 143.174 PRESSAVG: 4615200 11.6953 -35.4527 39.5325 -35.4528 -37.2878 -26.9327 39.5324 -26.9327 48.1151 GPRESSAVG: 4615200 11.9924 -36.2669 39.6848 -35.2352 -37.3551 -24.7178 38.4926 -28.3871 47.6332 TIMING: 4615200 CPU: 13410.3, 0.00291228/step Wall: 13410.3, 0.00291227/step, 0.31129 hours remaining, 207.742188 MB of memory in use. ENERGY: 4615200 757.6632 2061.2551 1978.8991 126.6997 -206321.6490 17947.0950 0.0000 0.0000 34294.5043 -149155.5327 299.5024 -183450.0370 -149063.4559 299.4205 66.5285 99.6277 557400.8687 7.5075 7.4235 PRESSURE: 4615400 -199.232 188.59 149.782 188.587 78.663 56.3722 149.783 56.3728 -46.7812 GPRESSURE: 4615400 -196.804 118.882 126.685 239.675 143.018 65.8892 153.968 50.7414 -10.1738 PRESSAVG: 4615400 -75.7373 72.7823 26.6361 72.7823 53.8228 24.1013 26.636 24.1013 25.8243 GPRESSAVG: 4615400 -77.61 73.3356 27.9114 74.2116 52.8358 22.7998 25.958 25.2485 27.9658 TIMING: 4615400 CPU: 13410.9, 0.00290838/step Wall: 13410.9, 0.00290838/step, 0.310712 hours remaining, 207.742188 MB of memory in use. ENERGY: 4615400 767.5573 2056.9202 1992.6593 110.1631 -206027.7624 17743.0469 0.0000 0.0000 34401.8146 -148955.6009 300.4396 -183357.4155 -148858.0994 298.9615 -55.7834 -21.3199 559181.9427 1.3033 1.0639 PRESSURE: 4615600 166.242 -0.533559 131.431 -0.534523 228.286 -3.78427 131.431 -3.78463 -65.6917 GPRESSURE: 4615600 180.952 11.9733 120.784 38.4693 240.361 126.901 122.186 -68.2997 5.79442 PRESSAVG: 4615600 -2.04032 55.4339 25.7947 55.4339 -6.65602 33.507 25.7948 33.5069 15.5903 GPRESSAVG: 4615600 0.166294 55.0309 25.7208 54.1375 -6.79036 34.0036 26.6878 32.5603 13.6187 TIMING: 4615600 CPU: 13411.5, 0.00290425/step Wall: 13411.5, 0.00290425/step, 0.310109 hours remaining, 207.742188 MB of memory in use. ENERGY: 4615600 693.2248 2104.0219 1967.2416 122.4573 -206250.8054 17904.5265 0.0000 0.0000 34384.8223 -149074.5110 300.2912 -183459.3333 -148977.6981 300.0389 109.6122 142.3694 557689.9425 2.2980 2.3315 PRESSURE: 4615800 -419.591 44.4445 93.0236 44.4448 -96.679 -28.8706 93.0239 -28.8718 -68.2866 GPRESSURE: 4615800 -347.853 -31.8887 113.339 18.2791 -99.3139 59.5498 177.361 -90.0085 -41.3126 PRESSAVG: 4615800 35.0645 -13.7174 -4.49238 -13.7173 -81.8435 38.375 -4.49248 38.3748 71.5854 GPRESSAVG: 4615800 34.1766 -14.9779 -5.31384 -13.8124 -81.628 37.9941 -4.19641 38.0491 72.1491 TIMING: 4615800 CPU: 13412, 0.00288865/step Wall: 13412, 0.00288865/step, 0.308283 hours remaining, 207.742188 MB of memory in use. ENERGY: 4615800 740.5938 2100.0349 1953.1764 114.5633 -205917.2387 17603.8752 0.0000 0.0000 34262.5515 -149142.4435 299.2234 -183404.9950 -149045.9395 299.6908 -194.8520 -162.8266 558912.6829 8.2688 8.2326 PRESSURE: 4616000 -211.808 -16.1226 63.8747 -16.1227 -1.12624 -54.0532 63.875 -54.054 -8.92101 GPRESSURE: 4616000 -122.627 -6.14123 26.5707 -96.3111 -12.6235 -79.8725 10.5906 -39.8 2.08319 PRESSAVG: 4616000 -28.8086 -7.82167 -7.67954 -7.82166 -26.1094 -48.0171 -7.6795 -48.0171 23.2278 GPRESSAVG: 4616000 -28.3492 -8.97274 -8.59469 -5.6422 -25.3011 -49.5349 -9.49405 -46.7661 22.4599 TIMING: 4616000 CPU: 13412.6, 0.00290238/step Wall: 13412.6, 0.00290238/step, 0.309587 hours remaining, 207.742188 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: 4616000 762.1074 2105.5042 1959.0619 109.4959 -206081.5581 17916.6098 0.0000 0.0000 34068.7360 -149160.0429 297.5307 -183228.7789 -149073.5163 299.3414 -73.9516 -44.3891 560106.3211 -10.5634 -10.3968 PRESSURE: 4616200 -226.797 58.6793 76.3156 58.6791 -118.593 -194.314 76.3153 -194.313 -345.416 GPRESSURE: 4616200 -219.201 88.2779 14.4426 31.3503 -116.697 -76.6149 60.3995 -253.273 -258.132 PRESSAVG: 4616200 -28.8684 34.0548 10.7913 34.0548 -50.8823 -26.5227 10.7913 -26.5228 19.7167 GPRESSAVG: 4616200 -29.6527 35.1566 11.1976 34.0058 -50.9508 -25.7952 9.55102 -25.676 20.7812 TIMING: 4616200 CPU: 13413.2, 0.00289592/step Wall: 13413.2, 0.00289592/step, 0.308737 hours remaining, 207.742188 MB of memory in use. ENERGY: 4616200 753.9325 2066.9094 1946.1894 107.8239 -205928.7062 17721.8020 0.0000 0.0000 34133.4704 -149198.5785 298.0961 -183332.0489 -149099.2754 299.3302 -230.2686 -198.0101 559574.3284 -20.0113 -19.9407 LDB: ============= START OF LOAD BALANCING ============== 13416.7 LDB: ============== END OF LOAD BALANCING =============== 13416.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13416.7 LDB: ============= START OF LOAD BALANCING ============== 13417 LDB: Largest compute 4848 load 0.030150 is 25.6% of average load 0.117832 LDB: Average compute 0.001722 is 1.5% of average load 0.117832 LDB: TIME 13417 LOAD: AVG 0.117832 MAX 0.184983 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.926 MB LDB: TIME 13417 LOAD: AVG 0.117832 MAX 0.184983 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: TIME 13417 LOAD: AVG 0.117832 MAX 0.184983 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.996 MB LDB: ============== END OF LOAD BALANCING =============== 13417 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13417 PRESSURE: 4616400 -253.596 -45.8622 125.972 -45.8623 -40.2404 20.4193 125.97 20.4199 -317.812 GPRESSURE: 4616400 -190.042 -44.0355 121.351 17.4943 -94.9123 -2.2232 101.84 -18.8389 -253.716 PRESSAVG: 4616400 81.0669 52.7498 36.3332 52.7498 -67.2855 1.49821 36.3332 1.49821 -12.136 GPRESSAVG: 4616400 82.6679 54.6057 37.0256 51.2148 -68.5543 1.5061 35.0043 0.0719244 -12.8944 TIMING: 4616400 CPU: 13413.8, 0.00297043/step Wall: 13413.8, 0.00297043/step, 0.316516 hours remaining, 207.136719 MB of memory in use. ENERGY: 4616400 792.9283 2114.3124 1953.4040 108.6004 -206327.7740 17875.3886 0.0000 0.0000 34177.1481 -149305.9922 298.4775 -183483.1403 -149211.8924 299.4061 -203.8829 -179.5568 556995.3078 0.5485 0.4064 PRESSURE: 4616600 66.4737 57.5004 58.3338 57.4986 63.7661 204.789 58.333 204.79 -83.3624 GPRESSURE: 4616600 105.788 53.7789 170.153 -14.6158 57.6666 185.724 28.1731 295.359 -2.84088 PRESSAVG: 4616600 -15.515 16.8988 67.5324 16.8988 51.5578 -22.0026 67.5324 -22.0026 -17.6727 GPRESSAVG: 4616600 -15.9268 15.8479 67.0029 16.1777 53.0216 -20.4198 70.4858 -20.5824 -18.5654 TIMING: 4616600 CPU: 13414.4, 0.00290981/step Wall: 13414.4, 0.00290981/step, 0.309895 hours remaining, 207.339844 MB of memory in use. ENERGY: 4616600 741.4993 2078.7605 1973.2286 102.9881 -206216.7636 17872.5594 0.0000 0.0000 34117.8533 -149329.8745 297.9597 -183447.7277 -149240.3444 298.8526 15.6258 53.5380 557374.5422 6.1234 6.1765 PRESSURE: 4616800 329.277 32.6565 -113.046 32.655 -40.9786 99.9275 -113.046 99.9263 159.948 GPRESSURE: 4616800 388.791 16.5817 -90.5633 72.6982 2.57536 81.9779 -173.057 72.9915 159.281 PRESSAVG: 4616800 43.4653 24.9102 36.1848 24.9102 -5.97278 -2.57976 36.1847 -2.57978 -21.6464 GPRESSAVG: 4616800 43.3476 25.4957 36.7788 25.9785 -5.25813 -3.82 38.0308 -1.66955 -22.014 TIMING: 4616800 CPU: 13415, 0.00288468/step Wall: 13415, 0.00288468/step, 0.307058 hours remaining, 207.339844 MB of memory in use. ENERGY: 4616800 744.3381 2100.6454 1956.0703 132.8187 -206703.1979 18097.4820 0.0000 0.0000 34240.4768 -149431.3667 299.0306 -183671.8435 -149336.8864 298.6819 149.4153 183.5491 556109.1081 5.2821 5.3585 PRESSURE: 4617000 37.7964 -21.3192 48.4553 -21.3187 -94.367 -35.0727 48.4554 -35.0731 14.9635 GPRESSURE: 4617000 80.4968 -25.2627 -7.08508 -11.4488 -54.1971 -35.3722 45.9964 -46.8928 32.8491 PRESSAVG: 4617000 40.618 55.2869 13.2111 55.2869 -100.313 33.1053 13.2112 33.1054 55.6 GPRESSAVG: 4617000 40.5033 55.099 12.2782 54.4086 -100.604 33.592 12.004 29.8903 55.8974 TIMING: 4617000 CPU: 13415.5, 0.00288588/step Wall: 13415.5, 0.00288588/step, 0.307026 hours remaining, 207.339844 MB of memory in use. ENERGY: 4617000 742.8758 2166.0159 1978.8271 112.3066 -206494.2613 17705.0036 0.0000 0.0000 34334.6555 -149454.5769 299.8531 -183789.2323 -149361.9987 298.8372 -13.8690 19.7163 556047.0450 -1.3651 -1.4013 PRESSURE: 4617200 -212.431 -149.98 -158.722 -149.981 -44.3849 -14.3112 -158.723 -14.3116 173.076 GPRESSURE: 4617200 -221.664 -112.212 -201.464 -189.839 8.76134 -70.9179 -92.6359 1.55291 210.251 PRESSAVG: 4617200 55.6936 -30.3552 -13.6435 -30.3553 -21.7247 19.406 -13.6436 19.406 -3.54783 GPRESSAVG: 4617200 56.9482 -32.246 -13.9244 -30.2295 -22.0352 18.5095 -13.3921 21.6878 -3.64394 TIMING: 4617200 CPU: 13416.1, 0.00288591/step Wall: 13416.1, 0.00288591/step, 0.306868 hours remaining, 207.339844 MB of memory in use. ENERGY: 4617200 748.5300 2088.6040 1966.5584 112.1134 -206173.8702 17766.0545 0.0000 0.0000 34010.9897 -149481.0202 297.0264 -183492.0098 -149395.7121 297.8971 -27.9135 -0.8840 558579.5167 10.1403 10.4230 PRESSURE: 4617400 -149.437 73.5491 36.2707 73.5505 95.124 -222.014 36.2713 -222.015 -33.2698 GPRESSURE: 4617400 -95.0877 93.4439 37.6252 50.7447 122.052 -211.865 58.9717 -256.316 -10.4228 PRESSAVG: 4617400 29.4058 -36.755 -21.4987 -36.755 16.4765 -43.535 -21.4988 -43.5351 -21.8017 GPRESSAVG: 4617400 28.9564 -37.6406 -20.7218 -36.982 17.1679 -42.875 -21.9796 -44.2142 -22.244 TIMING: 4617400 CPU: 13416.7, 0.00291257/step Wall: 13416.7, 0.00291257/step, 0.309542 hours remaining, 207.339844 MB of memory in use. ENERGY: 4617400 775.6391 2101.2860 1960.3371 119.2268 -206300.3074 17827.2546 0.0000 0.0000 33991.8492 -149524.7146 296.8593 -183516.5638 -149429.4115 297.9573 -29.1942 5.5139 556999.3194 8.0268 7.9601 PRESSURE: 4617600 -388.376 21.5575 39.6806 21.5583 -24.5313 -3.44333 39.6812 -3.44157 2.29678 GPRESSURE: 4617600 -375.618 50.0532 0.920224 2.38882 59.422 33.9226 22.1614 -41.978 -1.1602 PRESSAVG: 4617600 -53.7205 -11.9197 -8.04917 -11.9197 15.8827 -72.0948 -8.04911 -72.0947 36.9077 GPRESSAVG: 4617600 -54.0757 -10.8627 -6.68086 -10.7132 13.9233 -71.4071 -10.0363 -72.9325 39.2357 TIMING: 4617600 CPU: 13417.3, 0.00293203/step Wall: 13417.3, 0.00293203/step, 0.311447 hours remaining, 207.339844 MB of memory in use. ENERGY: 4617600 768.4111 2114.0792 1973.1021 115.7035 -206684.9598 17870.5718 0.0000 0.0000 34146.7932 -149696.2989 298.2124 -183843.0921 -149592.4449 297.4062 -136.8703 -105.7853 557624.7957 -0.3100 -0.3056 PRESSURE: 4617800 209.566 -1.72855 -54.8151 -1.72854 105.699 -28.2007 -54.8172 -28.2014 2.95519 GPRESSURE: 4617800 210.727 -0.614521 -145.2 -26.7393 163.091 70.8304 67.4026 -11.6703 37.1255 PRESSAVG: 4617800 -32.4305 11.5381 21.4231 11.5381 -36.2485 -37.669 21.4232 -37.669 16.9928 GPRESSAVG: 4617800 -31.8604 12.7523 18.2589 10.6618 -34.3627 -37.0517 24.8169 -37.1124 14.878 TIMING: 4617800 CPU: 13417.9, 0.00291648/step Wall: 13417.9, 0.00291648/step, 0.309633 hours remaining, 207.339844 MB of memory in use. ENERGY: 4617800 749.6025 2104.6652 1947.9457 119.2632 -207124.5626 18174.9853 0.0000 0.0000 34292.8484 -149735.2523 299.4880 -184028.1007 -149646.8403 297.9774 106.0732 136.9812 556765.2676 -17.2287 -17.1150 PRESSURE: 4618000 45.8197 -157.439 27.4297 -157.437 -1.33405 17.8842 27.4297 17.8843 -83.4585 GPRESSURE: 4618000 65.9309 -153.957 28.5079 -92.3321 44.2927 6.25423 75.5508 -12.4433 -43.187 PRESSAVG: 4618000 26.6332 -24.4234 23.1695 -24.4233 10.0516 -49.2429 23.1696 -49.2429 -3.25638 GPRESSAVG: 4618000 25.9214 -25.1798 23.5463 -23.5608 9.8835 -49.2847 21.1781 -49.3394 -2.15401 TIMING: 4618000 CPU: 13418.4, 0.00291174/step Wall: 13418.4, 0.00291174/step, 0.308968 hours remaining, 207.542969 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: 4618000 748.9434 2034.3910 1975.2637 120.6583 -206535.1038 17874.7799 0.0000 0.0000 34164.4974 -149616.5699 298.3671 -183781.0674 -149518.6795 298.7695 -12.9909 22.3455 557106.5801 11.1428 11.2170 PRESSURE: 4618200 170.913 32.5213 117.995 32.5208 183.342 -146.343 117.995 -146.343 123.576 GPRESSURE: 4618200 217.87 35.6338 139.085 47.1382 182.7 -117.935 -17.2788 -131.755 171.142 PRESSAVG: 4618200 -8.72754 16.7075 31.7031 16.7076 -6.77206 -43.4302 31.703 -43.4303 59.4595 GPRESSAVG: 4618200 -8.62172 18.2431 32.7609 16.4818 -6.35162 -45.1045 32.3474 -42.1272 58.8153 TIMING: 4618200 CPU: 13419, 0.00292294/step Wall: 13419, 0.00292294/step, 0.309994 hours remaining, 207.542969 MB of memory in use. ENERGY: 4618200 746.4112 2086.0943 1961.8364 107.4545 -206851.9387 18199.3694 0.0000 0.0000 34215.7839 -149534.9891 298.8150 -183750.7729 -149436.8046 298.1287 159.2772 190.5707 556778.9399 14.6533 14.6140 PRESSURE: 4618400 1.26397 -22.4139 76.143 -22.4132 -163.361 128.619 76.1426 128.619 -179.211 GPRESSURE: 4618400 22.5116 -48.5506 44.0054 25.4844 -140.985 100.143 92.8132 171.412 -137.766 PRESSAVG: 4618400 14.8618 -24.4439 51.8342 -24.4438 -14.2049 -36.8313 51.8342 -36.8314 -2.04277 GPRESSAVG: 4618400 15.2108 -25.8449 49.8537 -25.3865 -14.5367 -34.465 51.4806 -37.8542 -2.2955 TIMING: 4618400 CPU: 13419.6, 0.00293056/step Wall: 13419.6, 0.00293056/step, 0.310639 hours remaining, 207.542969 MB of memory in use. ENERGY: 4618400 757.8122 2083.2844 1949.1993 120.3136 -206494.1262 17703.5897 0.0000 0.0000 34210.1032 -149669.8239 298.7653 -183879.9271 -149578.0437 298.4755 -113.7695 -85.4131 556510.0771 -0.4620 -0.5405 PRESSURE: 4618600 -319.04 -47.9438 -28.9529 -47.9442 40.9374 -22.7319 -28.9529 -22.7312 -91.028 GPRESSURE: 4618600 -321.591 -26.9585 -61.1649 -101.816 98.5036 87.4266 -73.4627 -16.1955 -56.7781 PRESSAVG: 4618600 15.247 -8.74003 36.6612 -8.73999 4.81024 -16.3352 36.6611 -16.3351 0.263914 GPRESSAVG: 4618600 15.3535 -8.47905 38.7081 -8.92364 4.83345 -16.2432 36.9634 -17.7279 0.364975 TIMING: 4618600 CPU: 13420.2, 0.00290471/step Wall: 13420.2, 0.00290471/step, 0.307738 hours remaining, 207.542969 MB of memory in use. ENERGY: 4618600 712.3150 2092.3346 1962.2604 111.7195 -206154.6795 17586.7035 0.0000 0.0000 34251.4143 -149437.9321 299.1261 -183689.3463 -149338.1182 297.9005 -123.0437 -93.2883 556381.1624 6.7737 6.8506 PRESSURE: 4618800 9.87492 95.0755 75.0156 95.0752 -216.531 60.7587 75.0171 60.7583 223.37 GPRESSURE: 4618800 110.9 41.3151 21.8024 118.233 -214.769 -37.5869 172.608 -4.58494 220.765 PRESSAVG: 4618800 -35.6494 -39.1008 19.5403 -39.1007 -8.22095 -16.1312 19.5403 -16.1312 4.26266 GPRESSAVG: 4618800 -36.2958 -40.1772 20.3953 -38.2314 -7.11641 -17.7564 20.2087 -15.0351 4.01577 TIMING: 4618800 CPU: 13420.8, 0.00289422/step Wall: 13420.8, 0.00289422/step, 0.306465 hours remaining, 207.542969 MB of memory in use. ENERGY: 4618800 740.3531 2041.8986 1954.9940 121.3741 -206279.6233 17829.0194 0.0000 0.0000 34215.6718 -149376.3123 298.8140 -183591.9842 -149271.1329 298.5738 5.5710 38.9653 555613.1523 -13.2026 -13.1321 PRESSURE: 4619000 -202.054 59.5243 122.799 59.5246 -244.413 -149.251 122.799 -149.251 -219.652 GPRESSURE: 4619000 -154.237 4.59826 52.8832 117.641 -201.581 -110.289 132.706 -150.427 -217.809 PRESSAVG: 4619000 27.4245 -29.1223 16.0538 -29.1222 -50.8053 -41.9922 16.0539 -41.9922 35.399 GPRESSAVG: 4619000 27.6656 -27.6385 13.0495 -29.4533 -51.6246 -42.1557 15.4599 -40.1302 35.5878 TIMING: 4619000 CPU: 13421.4, 0.00290757/step Wall: 13421.4, 0.00290757/step, 0.307718 hours remaining, 207.542969 MB of memory in use. ENERGY: 4619000 738.2999 2087.0499 1962.6856 117.3252 -205788.5976 17408.4512 0.0000 0.0000 34203.5594 -149271.2264 298.7082 -183474.7858 -149178.1926 298.8854 -222.0397 -191.2092 559134.2513 4.0061 3.8762 PRESSURE: 4619200 -65.0103 -62.5178 207.858 -62.5173 -181.127 6.68573 207.86 6.68463 87.7668 GPRESSURE: 4619200 -27.0325 -73.1601 183.46 -0.00291041 -183.451 31.1994 237.153 3.42651 145.781 PRESSAVG: 4619200 -69.7847 13.1899 9.65093 13.1899 -43.519 -37.8655 9.65096 -37.8655 97.5495 GPRESSAVG: 4619200 -70.1689 14.4017 11.6536 10.1651 -43.2312 -38.0493 10.3561 -38.7303 97.2246 TIMING: 4619200 CPU: 13421.9, 0.00289444/step Wall: 13421.9, 0.00289444/step, 0.306168 hours remaining, 207.542969 MB of memory in use. ENERGY: 4619200 750.5861 2076.7237 1976.1601 116.9020 -206405.1585 17870.6502 0.0000 0.0000 34254.5055 -149359.6309 299.1531 -183614.1364 -149266.6568 298.6198 -52.7902 -21.5676 557527.5692 -5.2514 -5.3918 PRESSURE: 4619400 179.9 -90.9437 30.7289 -90.9442 40.5696 131.345 30.7302 131.344 34.5565 GPRESSURE: 4619400 186.408 -160.109 20.9705 -20.2945 92.9295 79.5889 39.8059 177.642 66.2307 PRESSAVG: 4619400 22.4495 47.529 5.92527 47.5288 30.171 -17.5952 5.92524 -17.5953 -12.0617 GPRESSAVG: 4619400 22.5653 45.9448 4.74088 49.8651 30.3669 -15.5936 5.4849 -19.3354 -12.5657 TIMING: 4619400 CPU: 13422.5, 0.00289949/step Wall: 13422.5, 0.00289949/step, 0.30654 hours remaining, 207.542969 MB of memory in use. ENERGY: 4619400 733.0994 2099.5402 1916.9669 114.4663 -206388.3782 17955.6399 0.0000 0.0000 34078.5557 -149490.1097 297.6165 -183568.6655 -149392.3069 298.7797 85.0086 115.1893 556738.2919 13.5196 13.4555 PRESSURE: 4619600 -365.041 -57.8756 153.055 -57.8756 -335.694 -8.61414 153.056 -8.61661 -60.3524 GPRESSURE: 4619600 -325.609 -94.7695 108.054 -106.653 -306.769 -31.1653 175.116 38.6679 -30.2095 PRESSAVG: 4619600 -20.8901 -36.5505 -5.09703 -36.5505 -22.0602 -38.4547 -5.09702 -38.4547 18.2213 GPRESSAVG: 4619600 -21.4187 -34.3404 -3.86369 -35.8278 -21.3828 -39.0429 -6.43005 -36.7725 17.7762 TIMING: 4619600 CPU: 13423.1, 0.00291396/step Wall: 13423.1, 0.00291396/step, 0.307909 hours remaining, 207.542969 MB of memory in use. ENERGY: 4619600 749.1707 2091.6945 1966.9594 114.4284 -206107.8824 17387.9714 0.0000 0.0000 34150.8271 -149646.8309 298.2477 -183797.6580 -149553.1443 297.7268 -253.6957 -220.8625 557648.9074 -8.2430 -8.3417 PRESSURE: 4619800 -167.522 -113.907 -261.602 -113.908 -202.15 -6.10253 -261.601 -6.10396 -234.553 GPRESSURE: 4619800 -91.4387 -121.382 -173.673 -116.628 -210.626 -50.294 -291.717 -45.5722 -204.135 PRESSAVG: 4619800 5.08321 -0.612088 -33.2321 -0.612213 2.0079 37.1229 -33.2322 37.1228 -41.8318 GPRESSAVG: 4619800 6.90349 -3.49888 -32.0109 0.36056 -0.0397697 35.7286 -32.0503 35.1154 -41.4411 TIMING: 4619800 CPU: 13423.7, 0.00291758/step Wall: 13423.7, 0.00291758/step, 0.308129 hours remaining, 207.542969 MB of memory in use. ENERGY: 4619800 740.2329 2074.5345 1948.9670 118.2212 -206305.7545 17693.9082 0.0000 0.0000 34146.7075 -149583.1832 298.2117 -183729.8907 -149488.1486 297.7602 -201.4086 -168.7333 559170.5000 -11.5802 -11.5258 PRESSURE: 4620000 -383.483 -74.4799 -67.0238 -74.4799 -204.718 -128.322 -67.0228 -128.323 -326.631 GPRESSURE: 4620000 -317.425 -142.985 -155.555 -49.9028 -162.905 -188.157 -57.1219 -141.509 -343.792 PRESSAVG: 4620000 -32.5184 5.11132 35.0007 5.11124 6.68015 -70.0186 35.0006 -70.0186 71.8488 GPRESSAVG: 4620000 -32.3901 6.30621 32.6262 4.56172 6.19813 -67.9191 34.4631 -70.6574 72.7916 TIMING: 4620000 CPU: 13424.3, 0.00292804/step Wall: 13424.3, 0.00292804/step, 0.309071 hours remaining, 207.542969 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: 4620000 775.1739 2146.3257 1971.3010 120.2460 -206288.4660 17553.5371 0.0000 0.0000 34124.4831 -149597.3994 298.0176 -183721.8825 -149507.2446 298.3521 -304.9438 -274.7075 558130.9212 15.3368 15.5332 PRESSURE: 4620200 -45.9296 9.90915 -40.1044 9.90925 -5.2715 -73.2931 -40.1047 -73.2926 -198.024 GPRESSURE: 4620200 -51.8549 -63.848 21.9056 64.8846 -15.3117 -80.3137 -79.8575 -149.966 -94.7041 PRESSAVG: 4620200 -86.6906 11.9991 -5.94665 11.9992 18.5928 -36.4762 -5.94666 -36.4761 48.1502 GPRESSAVG: 4620200 -87.1963 10.9761 -6.23925 12.122 19.7522 -38.7318 -4.54631 -35.1288 47.0972 TIMING: 4620200 CPU: 13424.9, 0.00290058/step Wall: 13424.9, 0.00290058/step, 0.306011 hours remaining, 207.542969 MB of memory in use. ENERGY: 4620200 763.9072 2133.9159 1970.3278 119.2976 -206211.6629 17610.3118 0.0000 0.0000 34051.8023 -149562.1003 297.3829 -183613.9026 -149468.4835 297.8860 -83.0749 -53.9569 557466.6229 -6.6492 -6.7823 LDB: ============= START OF LOAD BALANCING ============== 13428.3 LDB: ============== END OF LOAD BALANCING =============== 13428.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13428.3 LDB: ============= START OF LOAD BALANCING ============== 13428.6 LDB: Largest compute 4848 load 0.030848 is 26.2% of average load 0.117784 LDB: Average compute 0.001724 is 1.5% of average load 0.117784 LDB: TIME 13428.6 LOAD: AVG 0.117784 MAX 0.183388 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 13428.6 LOAD: AVG 0.117784 MAX 0.183388 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: TIME 13428.6 LOAD: AVG 0.117784 MAX 0.183388 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.402 MB LDB: ============== END OF LOAD BALANCING =============== 13428.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13428.6 PRESSURE: 4620400 114.096 35.7491 61.1427 35.7501 119.062 -145.315 61.1429 -145.314 -241.984 GPRESSURE: 4620400 76.2074 -3.03878 77.2518 -61.2616 210.527 -185.582 8.49592 -108.989 -189.993 PRESSAVG: 4620400 -46.9319 -12.1083 -81.9815 -12.1083 44.1242 -1.26073 -81.9815 -1.26083 1.75865 GPRESSAVG: 4620400 -47.7403 -10.6775 -80.8194 -13.4598 43.6033 0.436691 -83.3304 -0.924615 3.1905 TIMING: 4620400 CPU: 13425.4, 0.00297685/step Wall: 13425.4, 0.00297685/step, 0.313892 hours remaining, 207.718750 MB of memory in use. ENERGY: 4620400 718.0325 2122.6038 1932.3085 126.7798 -206251.7627 17763.5108 0.0000 0.0000 33998.8008 -149589.7264 296.9200 -183588.5272 -149495.9464 297.9095 -2.9422 32.2473 556310.4211 -0.3497 -0.3155 PRESSURE: 4620600 -169.662 -1.84194 -36.4201 -1.84321 57.8226 -38.4372 -36.4202 -38.4362 175.511 GPRESSURE: 4620600 -128.014 -71.1776 -122.46 44.8662 113.135 -28.0755 -18.6681 -6.53256 166.65 PRESSAVG: 4620600 13.083 -30.3755 -34.713 -30.3755 -45.6228 -40.4004 -34.713 -40.4004 8.36282 GPRESSAVG: 4620600 14.0146 -32.7643 -34.8908 -29.1511 -45.6201 -42.4923 -32.5122 -37.9348 8.53448 TIMING: 4620600 CPU: 13426, 0.00291884/step Wall: 13426, 0.00291884/step, 0.307613 hours remaining, 207.992188 MB of memory in use. ENERGY: 4620600 741.5341 2031.1034 1962.4891 119.7322 -206367.8457 17859.9063 0.0000 0.0000 34158.8745 -149494.2062 298.3179 -183653.0806 -149397.3789 298.3890 21.2239 50.5905 556758.0605 -8.0590 -7.6903 PRESSURE: 4620800 161.672 64.4195 179.01 64.4189 -260.669 -53.8118 179.009 -53.8115 116.48 GPRESSURE: 4620800 158.922 86.8619 94.9474 54.1343 -208.634 0.00698531 166.363 -172.824 159.645 PRESSAVG: 4620800 36.6679 -33.2023 37.7479 -33.2023 -20.0852 -7.01578 37.7478 -7.0158 3.89749 GPRESSAVG: 4620800 37.2306 -29.4196 36.0448 -34.7006 -20.0148 -6.18673 37.2027 -10.4089 3.11923 TIMING: 4620800 CPU: 13426.6, 0.00292806/step Wall: 13426.6, 0.00292806/step, 0.308422 hours remaining, 207.992188 MB of memory in use. ENERGY: 4620800 738.0561 2183.7889 1954.0940 124.0263 -206336.8840 17750.9559 0.0000 0.0000 34148.4272 -149437.5356 298.2267 -183585.9628 -149342.3011 298.8505 5.8276 36.6443 557442.6585 6.8267 6.7784 PRESSURE: 4621000 -315.791 -17.9719 -87.2538 -17.9714 170.563 41.1172 -87.2546 41.1174 -229.645 GPRESSURE: 4621000 -296.742 61.7176 -94.5633 -6.91339 147.158 -4.09643 -71.2567 -34.4173 -139.095 PRESSAVG: 4621000 43.1686 -27.3038 11.2506 -27.3038 34.5079 19.2385 11.2506 19.2385 -74.0661 GPRESSAVG: 4621000 42.4775 -29.1317 10.3132 -26.4327 34.3116 19.7215 11.0837 20.8002 -73.1842 TIMING: 4621000 CPU: 13427.2, 0.00291775/step Wall: 13427.2, 0.00291775/step, 0.307174 hours remaining, 207.992188 MB of memory in use. ENERGY: 4621000 717.6410 2080.3031 1954.7862 99.9520 -205703.9980 17393.8746 0.0000 0.0000 34026.3498 -149431.0911 297.1606 -183457.4410 -149330.8536 297.8196 -124.9574 -96.2262 558107.6664 1.2035 1.2016 PRESSURE: 4621200 -66.595 -139.947 202.819 -139.947 229.721 -31.996 202.819 -31.995 -254.662 GPRESSURE: 4621200 -38.4371 -126.493 180.456 -158.712 287.01 -43.3387 262.874 -114.771 -240.481 PRESSAVG: 4621200 16.7563 -18.7739 22.0766 -18.774 -32.3263 93.8227 22.0766 93.8227 -22.4067 GPRESSAVG: 4621200 17.2471 -19.2638 22.028 -19.0906 -32.8204 93.5268 21.7629 95.4095 -22.4253 TIMING: 4621200 CPU: 13427.8, 0.00290111/step Wall: 13427.8, 0.00290111/step, 0.305261 hours remaining, 207.992188 MB of memory in use. ENERGY: 4621200 710.5475 2098.4107 1935.9881 125.5433 -206171.3009 17893.8882 0.0000 0.0000 33962.0495 -149444.8735 296.5990 -183406.9230 -149354.1034 298.4545 -30.5120 2.6973 558169.6938 -12.6589 -12.6662 PRESSURE: 4621400 53.5498 62.0162 27.2138 62.0174 147.435 121.265 27.2128 121.265 -1.45891 GPRESSURE: 4621400 115.817 21.4418 -21.0203 31.9817 154.012 33.076 100.502 71.9922 36.0547 PRESSAVG: 4621400 38.5963 27.0533 6.69429 27.0533 -36.0773 9.25609 6.69427 9.2561 -8.0854 GPRESSAVG: 4621400 38.6193 24.7197 8.09103 28.265 -35.7304 8.37514 6.23642 8.36074 -8.12566 TIMING: 4621400 CPU: 13428.4, 0.00288984/step Wall: 13428.4, 0.00288984/step, 0.303915 hours remaining, 207.992188 MB of memory in use. ENERGY: 4621400 759.3152 2126.7796 1957.6892 99.2677 -206589.6281 17989.9506 0.0000 0.0000 34082.6624 -149573.9634 297.6524 -183656.6258 -149476.4107 298.5204 66.5085 101.9613 557384.0924 -1.8555 -1.7456 PRESSURE: 4621600 96.294 99.4544 -13.474 99.4534 -168.311 14.249 -13.4737 14.2492 225.832 GPRESSURE: 4621600 141.259 73.5719 -61.9182 -16.9483 -129.07 57.7254 -15.4273 -63.9616 231.222 PRESSAVG: 4621600 35.9726 55.2793 -7.3724 55.2792 5.6415 -18.4866 -7.37233 -18.4867 -50.1514 GPRESSAVG: 4621600 35.392 58.2942 -6.28581 53.4987 5.5973 -17.4986 -6.64025 -20.0987 -49.2972 TIMING: 4621600 CPU: 13428.9, 0.00289257/step Wall: 13428.9, 0.00289257/step, 0.304041 hours remaining, 207.992188 MB of memory in use. ENERGY: 4621600 746.3563 2067.8202 1913.0456 111.7928 -206512.8974 18090.2365 0.0000 0.0000 34035.0223 -149548.6237 297.2363 -183583.6459 -149453.4466 298.6089 51.2717 81.1370 558740.0854 -2.8458 -2.7693 PRESSURE: 4621800 -48.0451 52.0923 66.5173 52.0923 213.391 -210.656 66.5162 -210.657 51.3373 GPRESSURE: 4621800 40.8943 67.7519 64.1031 94.9657 223.461 -225.913 2.76367 -179.302 47.405 PRESSAVG: 4621800 34.5442 6.88373 6.60481 6.88369 -57.4428 27.8886 6.60482 27.8885 28.8378 GPRESSAVG: 4621800 34.3434 7.04208 5.14843 6.63228 -57.0359 26.4904 7.25924 28.4853 27.8028 TIMING: 4621800 CPU: 13429.5, 0.00288158/step Wall: 13429.5, 0.00288158/step, 0.302726 hours remaining, 207.992188 MB of memory in use. ENERGY: 4621800 725.4500 2105.1011 1983.8660 118.8149 -206623.8374 17944.1068 0.0000 0.0000 34269.5287 -149476.9698 299.2843 -183746.4985 -149387.1775 298.3508 72.2278 103.9201 557728.1578 1.9797 1.7034 PRESSURE: 4622000 14.5671 38.8354 52.5684 38.8343 149.042 -58.4304 52.5673 -58.4291 -242.477 GPRESSURE: 4622000 30.0605 39.8337 64.6554 -9.2831 166.486 -112.271 51.3588 -1.25507 -177.36 PRESSAVG: 4622000 -23.4969 2.12652 -17.218 2.12645 33.5791 -3.33822 -17.218 -3.33829 -17.4559 GPRESSAVG: 4622000 -23.4742 -0.28705 -17.3053 2.51854 32.959 0.121883 -16.8447 -4.40116 -16.9231 TIMING: 4622000 CPU: 13430.1, 0.00288203/step Wall: 13430.1, 0.00288203/step, 0.302613 hours remaining, 207.992188 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: 4622000 733.0729 2095.8538 1962.8558 126.6436 -206035.9169 17703.6025 0.0000 0.0000 34019.1522 -149394.7361 297.0977 -183413.8883 -149302.8633 298.2876 -26.2892 6.3956 558320.4766 -2.4579 -2.4794 PRESSURE: 4622200 -62.7778 10.4773 66.3011 10.4774 8.62338 61.2264 66.3007 61.2254 -43.8213 GPRESSURE: 4622200 -28.0258 47.8993 66.4265 87.5188 50.2285 -56.4159 55.0214 80.5329 -27.5832 PRESSAVG: 4622200 -6.34252 31.4684 7.40392 31.4684 -16.0288 -15.6579 7.40385 -15.658 -20.9032 GPRESSAVG: 4622200 -7.61685 33.2505 9.33054 31.3725 -15.4693 -16.6359 6.39031 -14.4293 -21.3383 TIMING: 4622200 CPU: 13430.7, 0.00291169/step Wall: 13430.7, 0.00291169/step, 0.305566 hours remaining, 207.992188 MB of memory in use. ENERGY: 4622200 806.7801 2110.4958 1962.1371 111.8439 -206569.4487 17998.4861 0.0000 0.0000 34243.7874 -149335.9182 299.0595 -183579.7056 -149243.3877 298.8405 -32.6586 -1.7935 558555.4806 -14.4249 -14.8081 PRESSURE: 4622400 118.409 39.742 -160.222 39.743 -14.9963 -111.079 -160.223 -111.079 -6.90626 GPRESSURE: 4622400 151.44 22.8216 -86.7938 15.0634 55.2512 -145.599 -185.001 -182.108 -16.765 PRESSAVG: 4622400 -27.4952 69.8772 -22.6454 69.8772 43.4735 14.9156 -22.6453 14.9156 -3.44263 GPRESSAVG: 4622400 -26.7004 70.0903 -21.8422 69.4738 42.5863 13.3945 -23.2165 17.0301 -4.02559 TIMING: 4622400 CPU: 13431.3, 0.00292053/step Wall: 13431.3, 0.00292053/step, 0.306331 hours remaining, 207.992188 MB of memory in use. ENERGY: 4622400 764.7378 2070.3995 1979.4500 122.4832 -206553.6287 17930.7914 0.0000 0.0000 34280.9707 -149404.7960 299.3842 -183685.7667 -149316.0984 298.8360 32.1687 63.3087 556462.7728 4.1786 3.9535 PRESSURE: 4622600 -37.9338 39.065 -173.653 39.0645 -75.7218 22.6983 -173.653 22.6983 -162.45 GPRESSURE: 4622600 -67.3503 -17.6568 -222.709 124.824 -17.5319 -64.0508 -90.0273 126.942 -98.0123 PRESSAVG: 4622600 -0.446933 -15.8616 -33.3783 -15.8617 56.4872 -7.91598 -33.3783 -7.91609 -51.3448 GPRESSAVG: 4622600 -0.70121 -16.7771 -33.5405 -13.9947 56.8938 -9.0389 -32.819 -7.63424 -51.6893 TIMING: 4622600 CPU: 13431.8, 0.00291231/step Wall: 13431.8, 0.00291231/step, 0.305307 hours remaining, 207.992188 MB of memory in use. ENERGY: 4622600 761.1448 2127.0491 1937.0081 116.9733 -206393.1098 17768.5719 0.0000 0.0000 34260.1446 -149422.2180 299.2024 -183682.3626 -149321.6695 298.8354 -92.0353 -60.9648 558545.4204 1.5651 1.5011 PRESSURE: 4622800 -268.015 0.895627 42.4574 0.895675 -134.424 -8.02617 42.4576 -8.02706 -82.628 GPRESSURE: 4622800 -252.531 -51.4792 83.6462 -13.465 -137.343 2.29992 37.4943 9.98176 -3.70929 PRESSAVG: 4622800 -18.3133 -14.6029 6.54028 -14.6029 41.2214 -7.38506 6.54021 -7.38495 4.38603 GPRESSAVG: 4622800 -17.4855 -14.4903 3.70215 -14.8817 39.8278 -5.42791 8.53066 -8.74037 4.77631 TIMING: 4622800 CPU: 13432.4, 0.00291453/step Wall: 13432.4, 0.00291453/step, 0.305378 hours remaining, 207.992188 MB of memory in use. ENERGY: 4622800 749.5546 2146.6940 1941.4894 114.3299 -206265.3865 17664.2571 0.0000 0.0000 34079.7437 -149569.3178 297.6269 -183649.0615 -149479.0755 298.3636 -161.6891 -131.1947 558035.5494 9.0980 9.0395 PRESSURE: 4623000 -234.658 -15.7319 223.565 -15.7315 124.509 117.586 223.565 117.587 -146.752 GPRESSURE: 4623000 -212.802 -37.1388 158.232 83.4565 123.578 81.8982 240.444 96.1015 -80.7161 PRESSAVG: 4623000 -36.6868 5.86459 33.4062 5.8646 17.2934 -64.4303 33.4063 -64.4303 28.2769 GPRESSAVG: 4623000 -37.9632 6.37916 35.4663 5.87927 17.5925 -65.7946 32.9887 -63.1712 29.2137 TIMING: 4623000 CPU: 13433, 0.00292557/step Wall: 13433, 0.00292557/step, 0.306372 hours remaining, 207.992188 MB of memory in use. ENERGY: 4623000 756.7669 2155.4187 1935.0794 118.3410 -206554.7084 17931.0442 0.0000 0.0000 34265.1894 -149392.8687 299.2464 -183658.0581 -149293.4882 298.7473 -85.6337 -56.6467 557319.1935 2.9612 2.9477 PRESSURE: 4623200 -279.358 -234.076 34.3776 -234.076 -180.499 83.6543 34.3763 83.6536 -119.156 GPRESSURE: 4623200 -244.068 -241.395 -8.74757 -178.324 -177.34 64.0826 140.302 175.881 -57.9427 PRESSAVG: 4623200 -3.65701 3.12333 42.532 3.12338 24.2755 9.00969 42.532 9.00961 -40.6635 GPRESSAVG: 4623200 -2.76442 1.87745 42.9591 2.68659 24.651 11.1568 39.2318 6.14864 -42.1313 TIMING: 4623200 CPU: 13433.6, 0.0029176/step Wall: 13433.6, 0.0029176/step, 0.305375 hours remaining, 207.992188 MB of memory in use. ENERGY: 4623200 750.7952 2060.1482 1951.3809 133.1459 -205704.6604 17327.7534 0.0000 0.0000 34038.9153 -149442.5215 297.2703 -183481.4368 -149349.0677 299.1843 -193.0043 -159.7838 556850.0178 -6.6817 -6.7482 PRESSURE: 4623400 -112.584 -90.3017 152.509 -90.3029 -238.75 34.6188 152.508 34.6197 -234.835 GPRESSURE: 4623400 -111.217 -139.407 76.3895 -150.233 -206.928 -3.31532 191.136 63.5855 -170.694 PRESSAVG: 4623400 9.62695 -38.6887 20.2286 -38.6888 10.4015 -10.8785 20.2286 -10.8785 -35.3335 GPRESSAVG: 4623400 9.41096 -39.9863 19.4899 -38.9989 9.87599 -13.2844 21.32 -7.43086 -34.5465 TIMING: 4623400 CPU: 13434.2, 0.0029113/step Wall: 13434.2, 0.0029113/step, 0.304554 hours remaining, 207.992188 MB of memory in use. ENERGY: 4623400 733.7389 2066.1606 1962.8097 117.7661 -206171.0708 17666.4685 0.0000 0.0000 34250.8708 -149373.2561 299.1214 -183624.1270 -149273.9853 299.2542 -195.3897 -162.9464 558570.8867 -5.1017 -5.0865 PRESSURE: 4623600 -37.7733 98.021 18.2897 98.0227 108.819 -51.7322 18.2896 -51.7322 -85.9643 GPRESSURE: 4623600 42.14 3.25984 154.788 166.165 140.731 -45.0048 -24.2596 -44.7963 -97.2539 PRESSAVG: 4623600 14.9626 14.9404 5.77656 14.9404 23.1616 -2.03898 5.77657 -2.03883 21.6929 GPRESSAVG: 4623600 14.6178 17.0774 5.39896 15.8054 22.8746 -1.42883 6.48964 -3.04633 22.0949 TIMING: 4623600 CPU: 13434.8, 0.00291576/step Wall: 13434.8, 0.00291576/step, 0.304858 hours remaining, 207.992188 MB of memory in use. ENERGY: 4623600 768.0912 2099.2132 1930.0112 100.8748 -206158.9951 17743.4564 0.0000 0.0000 34293.7141 -149223.6341 299.4955 -183517.3482 -149122.0901 299.2727 -4.9727 28.5391 557447.6360 19.9390 19.8624 PRESSURE: 4623800 95.7574 11.2641 -119.324 11.2634 -236.836 15.9919 -119.324 15.9927 -64.7188 GPRESSURE: 4623800 112.115 -50.8317 -191.002 70.4955 -216.519 95.3857 -13.594 45.4973 -11.4426 PRESSAVG: 4623800 -2.64296 -12.396 -42.0417 -12.396 -54.4368 8.88206 -42.0417 8.88217 34.8411 GPRESSAVG: 4623800 -1.4098 -12.4262 -42.4461 -14.462 -55.6062 10.5051 -42.9764 7.28562 34.6812 TIMING: 4623800 CPU: 13435.3, 0.00292652/step Wall: 13435.3, 0.00292652/step, 0.305822 hours remaining, 207.992188 MB of memory in use. ENERGY: 4623800 734.4364 2106.0861 1970.5591 111.7301 -206230.8049 17811.7822 0.0000 0.0000 34141.6854 -149354.5257 298.1678 -183496.2111 -149252.4240 298.8140 -68.5991 -38.6155 558016.8480 -7.4129 -7.4449 PRESSURE: 4624000 50.3052 41.0254 -149.592 41.0261 30.2306 -94.7367 -149.592 -94.7374 -222.57 GPRESSURE: 4624000 30.8655 40.7051 -121.335 93.6353 78.5697 -159.368 -173.158 -48.0376 -159.866 PRESSAVG: 4624000 47.0223 -3.24236 -42.0497 -3.24221 -21.0227 29.8769 -42.0497 29.877 -12.8251 GPRESSAVG: 4624000 45.9703 -1.28313 -42.8071 -3.14515 -18.5649 28.297 -40.7166 30.0041 -14.0567 TIMING: 4624000 CPU: 13435.9, 0.00288722/step Wall: 13435.9, 0.00288722/step, 0.301554 hours remaining, 207.992188 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: 4624000 752.8188 2114.4834 1915.6056 101.3345 -206001.1996 17787.9616 0.0000 0.0000 33977.5925 -149351.4032 296.7348 -183328.9957 -149259.2930 299.2483 -47.3448 -16.8104 557781.7675 4.3915 4.4496 PRESSURE: 4624200 -149.704 148.671 27.0175 148.671 -68.2375 -7.4554 27.0183 -7.45516 -85.1289 GPRESSURE: 4624200 -55.8008 55.2946 -111.409 157.99 -43.4473 44.355 58.8242 -116.583 -90.5654 PRESSAVG: 4624200 65.5827 -32.1551 -9.68161 -32.1551 -16.8833 7.33598 -9.68155 7.336 -29.9593 GPRESSAVG: 4624200 65.7524 -31.2282 -8.36593 -30.3682 -16.8322 9.29376 -10.4291 6.9658 -29.37 TIMING: 4624200 CPU: 13436.5, 0.00292514/step Wall: 13436.5, 0.00292514/step, 0.305352 hours remaining, 207.992188 MB of memory in use. ENERGY: 4624200 728.3011 2040.7324 1957.9616 119.9490 -206307.8895 17731.2446 0.0000 0.0000 34299.7531 -149429.9476 299.5483 -183729.7007 -149333.3150 298.7313 -101.0235 -63.2712 559749.2159 6.2467 6.5167 LDB: ============= START OF LOAD BALANCING ============== 13440 LDB: ============== END OF LOAD BALANCING =============== 13440 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13440 LDB: ============= START OF LOAD BALANCING ============== 13440.3 LDB: Largest compute 4848 load 0.029849 is 25.3% of average load 0.117878 LDB: Average compute 0.001729 is 1.5% of average load 0.117878 LDB: TIME 13440.3 LOAD: AVG 0.117878 MAX 0.179865 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.562 MB LDB: TIME 13440.3 LOAD: AVG 0.117878 MAX 0.179865 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.566 MB LDB: TIME 13440.3 LOAD: AVG 0.117878 MAX 0.179865 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.566 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13440.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13440.3 PRESSURE: 4624400 59.4022 27.0292 -61.8437 27.0293 17.4858 -122.965 -61.8434 -122.967 -49.4759 GPRESSURE: 4624400 99.4033 63.9886 0.939472 63.0885 81.104 -84.2631 -59.7913 -119.432 -48.4634 PRESSAVG: 4624400 -71.6668 4.37429 -14.2364 4.37417 29.9931 18.2021 -14.2365 18.2022 78.4724 GPRESSAVG: 4624400 -72.3922 2.27438 -15.1225 3.15184 30.3449 16.0999 -13.9959 18.5183 78.238 TIMING: 4624400 CPU: 13437.1, 0.00298871/step Wall: 13437.1, 0.00298871/step, 0.311822 hours remaining, 207.355469 MB of memory in use. ENERGY: 4624400 734.2154 2060.2455 1954.2465 96.3758 -206470.4324 17897.4921 0.0000 0.0000 34363.6447 -149364.2124 300.1063 -183727.8571 -149264.1532 298.9367 9.1374 44.0146 557897.7016 12.2662 12.0636 PRESSURE: 4624600 -156.262 -66.2682 -52.685 -66.2675 -131.269 -90.8411 -52.6849 -90.8391 -114.909 GPRESSURE: 4624600 -169.207 -59.102 15.2367 -40.3606 -74.8666 -87.5226 -123.62 -85.005 -66.1045 PRESSAVG: 4624600 -8.61048 -57.904 -20.5795 -57.9039 1.59058 55.2082 -20.5795 55.2082 39.7963 GPRESSAVG: 4624600 -8.68145 -56.8996 -21.2031 -58.3483 2.08877 56.9066 -21.2363 56.0582 39.6561 TIMING: 4624600 CPU: 13437.7, 0.002907/step Wall: 13437.7, 0.002907/step, 0.303136 hours remaining, 207.355469 MB of memory in use. ENERGY: 4624600 780.6624 2157.1125 1987.9487 116.2442 -206534.1407 17857.6913 0.0000 0.0000 34360.7381 -149273.7435 300.0809 -183634.4816 -149177.1335 299.4026 -134.1465 -103.3925 557540.8806 10.9255 11.0212 PRESSURE: 4624800 192.399 91.4958 5.24567 91.4944 269.618 -168.207 5.24425 -168.208 210.091 GPRESSURE: 4624800 268.935 90.3788 -78.0869 63.7984 263.668 -148.082 70.3213 -190.37 241.235 PRESSAVG: 4624800 26.7448 11.4451 -6.62014 11.4449 -45.0396 30.4811 -6.62016 30.481 13.3242 GPRESSAVG: 4624800 26.9277 10.9649 -4.70116 11.3089 -46.127 30.0448 -5.74752 30.9934 14.068 TIMING: 4624800 CPU: 13438.3, 0.00290636/step Wall: 13438.3, 0.00290636/step, 0.302908 hours remaining, 207.355469 MB of memory in use. ENERGY: 4624800 758.4891 2099.9988 1979.9355 112.2236 -206761.4443 18238.0424 0.0000 0.0000 34247.4568 -149325.2981 299.0916 -183572.7549 -149227.1648 299.5880 224.0359 257.9459 556599.2197 -1.6569 -1.7104 PRESSURE: 4625000 122.516 122.94 242.19 122.94 -178.009 -58.8463 242.19 -58.8446 -290.354 GPRESSURE: 4625000 163.385 99.5507 270.949 87.534 -134.594 -145.087 269.023 -38.9603 -278.238 PRESSAVG: 4625000 71.7095 14.7815 14.9206 14.7816 -47.5911 -54.6071 14.9207 -54.607 -27.5059 GPRESSAVG: 4625000 72.1892 17.0313 12.6676 15.0555 -47.5658 -54.3888 15.223 -57.0654 -27.6102 TIMING: 4625000 CPU: 13438.8, 0.00289299/step Wall: 13438.8, 0.00289299/step, 0.301353 hours remaining, 207.355469 MB of memory in use. ENERGY: 4625000 762.6875 2162.3658 1920.0506 105.2091 -206485.0037 17989.2364 0.0000 0.0000 34203.9052 -149341.5490 298.7112 -183545.4542 -149238.9154 299.0346 -115.2823 -83.1491 558311.4097 -1.1292 -0.9956 PRESSURE: 4625200 23.6605 73.7669 113.456 73.7675 -113.216 -33.9298 113.456 -33.9305 103.003 GPRESSURE: 4625200 -28.0324 26.2928 94.6719 109.893 -34.6505 -55.0953 150.802 -52.8529 159.893 PRESSAVG: 4625200 16.5153 0.609788 70.8036 0.609855 -95.3645 -22.4055 70.8036 -22.4055 89.5385 GPRESSAVG: 4625200 16.3069 -1.88575 72.1596 -0.0236966 -94.8622 -22.1708 70.3471 -23.6898 89.4218 TIMING: 4625200 CPU: 13439.4, 0.00289047/step Wall: 13439.4, 0.00289047/step, 0.30093 hours remaining, 207.355469 MB of memory in use. ENERGY: 4625200 768.5541 2125.8681 1967.2415 115.6690 -206928.2429 18234.0423 0.0000 0.0000 34296.6132 -149420.2547 299.5209 -183716.8679 -149322.6831 298.1107 4.4824 32.4033 560361.9965 3.5631 3.6222 PRESSURE: 4625400 -57.0602 -57.7549 167.166 -57.7544 -77.7064 1.72076 167.166 1.72289 -182.804 GPRESSURE: 4625400 -47.3932 -41.1167 246.034 -22.6041 -33.8248 -42.4533 151.709 -49.3063 -142.985 PRESSAVG: 4625400 -44.9409 -11.3277 50.6354 -11.3277 22.9309 -32.1693 50.6353 -32.1692 2.696 GPRESSAVG: 4625400 -45.0224 -10.9191 51.5049 -9.3789 23.0742 -31.9506 49.2171 -32.4723 3.18833 TIMING: 4625400 CPU: 13440, 0.00289148/step Wall: 13440, 0.00289148/step, 0.300874 hours remaining, 207.355469 MB of memory in use. ENERGY: 4625400 767.4285 2105.6790 1974.5343 114.9610 -206428.5932 17925.8168 0.0000 0.0000 34087.6908 -149452.4828 297.6963 -183540.1735 -149355.3618 298.5309 -105.8568 -74.7344 558662.0510 -6.4380 -6.2533 PRESSURE: 4625600 -21.444 -66.1692 9.97848 -66.1691 -17.3797 -11.9572 9.97853 -11.9562 -268.938 GPRESSURE: 4625600 18.8241 -145.514 50.7441 -17.8894 11.5394 0.365606 49.6374 36.9084 -234.482 PRESSAVG: 4625600 0.667511 -34.7838 41.9639 -34.7838 70.4027 -25.0814 41.9639 -25.0814 -72.4764 GPRESSAVG: 4625600 2.43257 -33.1119 41.6395 -37.5812 68.5843 -25.5225 42.063 -22.6866 -72.3855 TIMING: 4625600 CPU: 13440.6, 0.00288161/step Wall: 13440.6, 0.00288161/step, 0.299688 hours remaining, 207.355469 MB of memory in use. ENERGY: 4625600 776.7600 2108.2026 1945.2671 102.0124 -206470.0256 17743.2723 0.0000 0.0000 34090.5728 -149703.9384 297.7215 -183794.5113 -149610.5338 298.3936 -102.5871 -68.0394 556948.6288 -0.4687 -0.4562 PRESSURE: 4625800 -104.193 44.1623 -58.3346 44.1633 -258.304 94.4135 -58.335 94.4124 -29.3258 GPRESSURE: 4625800 -120.556 60.7403 -90.9329 106.755 -142.175 53.0987 -125.709 50.583 -24.0572 PRESSAVG: 4625800 -44.962 28.8727 -49.4363 28.8727 6.18315 -10.8162 -49.4363 -10.8161 29.5256 GPRESSAVG: 4625800 -44.4095 26.9961 -49.634 31.6629 5.39236 -12.1498 -49.5024 -11.8038 29.5408 TIMING: 4625800 CPU: 13441.2, 0.00288786/step Wall: 13441.2, 0.00288786/step, 0.300177 hours remaining, 207.355469 MB of memory in use. ENERGY: 4625800 793.6038 2061.2017 1992.4517 116.5990 -206378.0740 17780.7383 0.0000 0.0000 34013.8145 -149619.6651 297.0511 -183633.4795 -149517.5597 298.3164 -130.6076 -95.5959 556466.3348 -3.0844 -3.1588 PRESSURE: 4626000 -27.8203 -13.681 -40.699 -13.6814 -36.5846 225.186 -40.6989 225.188 54.0134 GPRESSURE: 4626000 -50.515 28.3787 -93.3621 -1.95871 61.4316 232.99 -9.91608 246.972 71.3775 PRESSAVG: 4626000 23.4467 20.261 44.2941 20.2611 -24.8013 21.5727 44.294 21.5727 22.0115 GPRESSAVG: 4626000 22.6548 21.7947 43.6827 18.8415 -22.403 22.7719 43.2366 21.0928 20.9635 TIMING: 4626000 CPU: 13441.7, 0.00288703/step Wall: 13441.7, 0.00288703/step, 0.29993 hours remaining, 207.355469 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: 4626000 793.0464 2066.3898 1964.4129 112.4649 -206513.8344 17841.0203 0.0000 0.0000 34259.7002 -149476.7998 299.1985 -183736.5001 -149381.5413 298.2785 -3.4638 27.4314 556282.0615 6.8856 7.0718 PRESSURE: 4626200 60.1146 85.5271 -111.261 85.5274 238.383 -51.3943 -111.259 -51.3952 179.021 GPRESSURE: 4626200 115.557 107.548 -123.407 83.1433 149.602 -96.2091 -141.304 -61.7382 289.567 PRESSAVG: 4626200 -79.8097 60.8923 1.07003 60.8923 -3.64077 1.90739 1.06995 1.90724 21.6423 GPRESSAVG: 4626200 -80.8915 60.0682 1.35984 61.7774 -3.5377 -0.572889 2.40888 3.47081 22.7469 TIMING: 4626200 CPU: 13442.3, 0.00290306/step Wall: 13442.3, 0.00290306/step, 0.301434 hours remaining, 207.355469 MB of memory in use. ENERGY: 4626200 775.1363 2082.3661 1929.7422 116.6070 -206292.2929 18004.1260 0.0000 0.0000 34063.8714 -149320.4439 297.4883 -183384.3153 -149226.0405 298.3016 159.1730 184.9089 556660.4146 -20.6027 -20.5608 PRESSURE: 4626400 -250.15 -100.533 1.94783 -100.533 -35.3439 -162.384 1.94756 -162.385 -228.628 GPRESSURE: 4626400 -250.075 -63.5572 36.7794 -174.476 21.6407 -63.433 -83.7888 -196.581 -187.14 PRESSAVG: 4626400 -80.7534 23.725 26.1015 23.725 93.7124 -15.2159 26.1015 -15.2158 -11.3578 GPRESSAVG: 4626400 -79.5999 21.765 25.9763 22.4567 93.2598 -15.0498 25.2023 -15.6721 -12.068 TIMING: 4626400 CPU: 13442.9, 0.00292118/step Wall: 13442.9, 0.00292118/step, 0.303154 hours remaining, 207.355469 MB of memory in use. ENERGY: 4626400 780.3641 2100.0979 1944.4729 108.5395 -206209.8245 17722.7549 0.0000 0.0000 34070.6897 -149482.9054 297.5478 -183553.5951 -149379.1902 298.8701 -171.3740 -138.5247 558350.2877 0.5338 0.5306 PRESSURE: 4626600 68.3938 -166.29 -158.225 -166.292 88.5908 -199.537 -158.224 -199.536 69.0974 GPRESSURE: 4626600 76.4394 -162.242 -169.171 -212.823 204.447 -171.37 -143.342 -259.964 51.0157 PRESSAVG: 4626600 46.6435 38.0099 -34.1604 38.01 0.580776 21.5706 -34.1604 21.5705 -12.3509 GPRESSAVG: 4626600 44.895 36.9754 -33.7865 39.9822 2.04756 23.7804 -33.7543 21.1356 -11.888 TIMING: 4626600 CPU: 13443.5, 0.00292147/step Wall: 13443.5, 0.00292147/step, 0.303022 hours remaining, 207.355469 MB of memory in use. ENERGY: 4626600 759.0908 2059.3763 1984.0883 118.6483 -206212.4503 17908.2045 0.0000 0.0000 34115.7196 -149267.3224 297.9411 -183383.0420 -149173.8987 299.1464 75.3607 110.6339 558159.8314 11.6245 11.6848 PRESSURE: 4626800 77.9005 162.036 15.8999 162.036 -82.8775 -1.82117 15.8999 -1.82012 -128.436 GPRESSURE: 4626800 118.713 164.989 98.3592 107.577 -49.755 -6.94207 -12.9836 25.4255 -104.571 PRESSAVG: 4626800 -9.42524 39.747 27.8322 39.747 14.8377 -58.0679 27.8323 -58.068 -20.9063 GPRESSAVG: 4626800 -8.72485 41.3965 27.3958 38.0113 13.4901 -59.556 28.1529 -57.7141 -20.2433 TIMING: 4626800 CPU: 13444.1, 0.00292801/step Wall: 13444.1, 0.00292801/step, 0.303537 hours remaining, 207.425781 MB of memory in use. ENERGY: 4626800 766.6522 2147.8364 2003.1997 112.2138 -206099.9815 17760.9965 0.0000 0.0000 34093.1693 -149215.9137 297.7441 -183309.0830 -149116.6656 298.7311 -44.4711 -11.8709 559125.5816 -5.1646 -5.1593 PRESSURE: 4627000 155.434 35.2667 146.916 35.2662 22.1636 104.677 146.917 104.678 -48.6806 GPRESSURE: 4627000 167.503 77.4152 128.567 -23.3603 83.8122 44.5266 128.498 141.134 -18.4442 PRESSAVG: 4627000 65.5341 17.3986 18.452 17.3986 -78.2422 -29.0251 18.452 -29.0251 30.0315 GPRESSAVG: 4627000 64.7439 17.2501 19.0757 18.7595 -77.2828 -29.5135 17.7838 -27.0164 29.3669 TIMING: 4627000 CPU: 13444.6, 0.00291234/step Wall: 13444.6, 0.00291234/step, 0.301751 hours remaining, 207.425781 MB of memory in use. ENERGY: 4627000 764.2169 2110.7205 1965.6270 106.9560 -206211.2853 17916.3091 0.0000 0.0000 34367.1778 -148980.2780 300.1371 -183347.4557 -148881.0012 299.7144 42.9724 77.6237 557615.5468 5.7745 5.6093 PRESSURE: 4627200 -390.948 -24.5125 -60.7632 -24.5119 -97.8174 -12.689 -60.7638 -12.6887 83.928 GPRESSURE: 4627200 -412.275 -81.2575 -38.6415 34.6642 -28.7608 6.42785 -124.987 4.49286 137.263 PRESSAVG: 4627200 2.31361 37.6172 15.1601 37.6171 -46.5228 19.3604 15.1601 19.3606 63.5642 GPRESSAVG: 4627200 2.90228 38.1743 15.9395 37.7843 -46.4692 20.1595 14.1558 18.4573 62.7803 TIMING: 4627200 CPU: 13445.2, 0.00290738/step Wall: 13445.2, 0.00290738/step, 0.301075 hours remaining, 207.425781 MB of memory in use. ENERGY: 4627200 773.9783 2106.6248 1990.7758 100.1668 -205900.8859 17652.1739 0.0000 0.0000 34260.2052 -149016.9612 299.2029 -183277.1664 -148918.5500 299.5030 -134.9458 -101.2577 558415.8795 6.4517 6.4045 PRESSURE: 4627400 -58.6425 -29.0742 31.7032 -29.0748 -199.148 -75.5477 31.7031 -75.5478 5.29517 GPRESSURE: 4627400 -42.6475 61.2605 89.3549 -30.3917 -119.287 -106.501 8.17399 -89.0308 -3.49868 PRESSAVG: 4627400 -45.2309 -22.0326 25.75 -22.0327 -30.284 -17.9506 25.75 -17.9505 61.2432 GPRESSAVG: 4627400 -45.2925 -21.3546 23.6242 -22.1158 -31.1764 -18.5939 27.642 -18.7618 62.4204 TIMING: 4627400 CPU: 13445.8, 0.00291164/step Wall: 13445.8, 0.00291164/step, 0.301354 hours remaining, 207.425781 MB of memory in use. ENERGY: 4627400 728.7378 2121.6192 1963.4404 115.1908 -205745.3953 17619.9023 0.0000 0.0000 34293.9759 -148902.5290 299.4978 -183196.5048 -148812.7177 299.6826 -84.1650 -55.1444 559090.3354 -4.7572 -4.6829 PRESSURE: 4627600 124.985 69.3619 55.2503 69.3621 66.2476 -50.839 55.251 -50.8397 133.879 GPRESSURE: 4627600 199.348 104.015 180.453 96.2969 81.5083 -39.6884 -0.202385 -90.8474 133.339 PRESSAVG: 4627600 -39.27 -11.7798 38.8813 -11.7797 11.5293 -12.0992 38.8813 -12.0992 34.3895 GPRESSAVG: 4627600 -39.23 -11.2045 38.1732 -13.8483 12.6513 -10.0469 37.4903 -13.0202 33.1862 TIMING: 4627600 CPU: 13446.4, 0.00293288/step Wall: 13446.4, 0.00293288/step, 0.30339 hours remaining, 207.425781 MB of memory in use. ENERGY: 4627600 705.2670 2206.0527 1930.0674 119.2785 -206182.0070 17940.2555 0.0000 0.0000 34339.6719 -148941.4141 299.8969 -183281.0860 -148842.7635 300.3124 108.3704 138.0650 556961.5769 2.2163 2.2025 PRESSURE: 4627800 -66.7633 -107.577 -17.9497 -107.576 112.202 -50.4391 -17.9486 -50.4395 -54.9376 GPRESSURE: 4627800 -23.5427 -122.067 -21.6571 -86.6963 80.4364 -64.6868 -141.994 -76.6157 11.9056 PRESSAVG: 4627800 -17.0581 -18.7038 -46.1592 -18.7037 -40.4423 -15.855 -46.1592 -15.8551 68.518 GPRESSAVG: 4627800 -17.2764 -18.1755 -45.9682 -16.3282 -41.1297 -16.1515 -45.7481 -14.5109 69.5467 TIMING: 4627800 CPU: 13447, 0.00289736/step Wall: 13447, 0.00289736/step, 0.299555 hours remaining, 207.425781 MB of memory in use. ENERGY: 4627800 697.1771 2177.2166 1979.5664 115.6622 -206140.3668 17880.9081 0.0000 0.0000 34236.4516 -149053.3848 298.9954 -183289.8364 -148956.6121 300.1922 -3.1664 22.9331 557817.1607 3.6725 3.7135 PRESSURE: 4628000 27.813 -0.624456 89.0158 -0.623687 163.702 37.9587 89.0163 37.9587 78.2093 GPRESSURE: 4628000 15.3042 29.7038 59.8059 4.87534 227.347 143.229 74.981 29.1815 118.35 PRESSAVG: 4628000 38.5859 -59.9145 -10.4685 -59.9145 -20.2818 6.73522 -10.4686 6.73524 10.7134 GPRESSAVG: 4628000 38.0717 -60.3457 -8.49239 -61.5813 -19.6398 5.7081 -11.4998 7.14296 10.4155 TIMING: 4628000 CPU: 13447.6, 0.00290752/step Wall: 13447.6, 0.00290752/step, 0.300444 hours remaining, 207.425781 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: 4628000 779.4698 2106.9108 1996.0650 113.4811 -206382.0208 18046.5758 0.0000 0.0000 34290.9669 -149048.5512 299.4715 -183339.5182 -148954.5887 299.5928 89.9082 120.3340 557484.9406 9.6725 9.6158 PRESSURE: 4628200 -184.743 30.4257 -6.99985 30.4269 -188.596 -218.486 -6.99883 -218.487 28.6131 GPRESSURE: 4628200 -120.977 -28.5909 -81.428 64.8774 -148.905 -198.722 18.2634 -281.459 26.4055 PRESSAVG: 4628200 -43.8455 1.66484 -45.9562 1.66498 1.51744 27.207 -45.9563 27.2071 53.5443 GPRESSAVG: 4628200 -43.2826 0.395183 -48.3329 3.99802 1.04832 30.8616 -45.3195 23.6082 53.048 TIMING: 4628200 CPU: 13448.1, 0.00291341/step Wall: 13448.1, 0.00291341/step, 0.300891 hours remaining, 207.425781 MB of memory in use. ENERGY: 4628200 733.3074 2134.2020 1945.3513 111.0429 -205779.5764 17555.1005 0.0000 0.0000 34327.7352 -148972.8371 299.7926 -183300.5722 -148871.6451 299.7638 -114.9085 -81.1589 557236.2628 3.7388 3.6046 LDB: ============= START OF LOAD BALANCING ============== 13451.6 LDB: ============== END OF LOAD BALANCING =============== 13451.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13451.6 LDB: ============= START OF LOAD BALANCING ============== 13451.9 LDB: Largest compute 4848 load 0.030875 is 26.2% of average load 0.117941 LDB: Average compute 0.001727 is 1.5% of average load 0.117941 LDB: TIME 13451.9 LOAD: AVG 0.117941 MAX 0.180895 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 13451.9 LOAD: AVG 0.117941 MAX 0.180895 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: TIME 13451.9 LOAD: AVG 0.117941 MAX 0.180895 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13451.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13451.9 PRESSURE: 4628400 -49.1567 -110.18 108.567 -110.179 -355.646 -2.00465 108.567 -2.00505 58.8041 GPRESSURE: 4628400 -7.31214 -83.6457 148.518 -114.59 -321.592 -107.229 27.1398 46.8312 89.1102 PRESSAVG: 4628400 14.5858 5.70241 -43.2664 5.70229 24.9213 -42.5025 -43.2665 -42.5024 -18.2358 GPRESSAVG: 4628400 14.3492 7.76288 -42.4095 3.6603 24.5407 -45.2067 -43.1172 -40.3195 -17.3623 TIMING: 4628400 CPU: 13448.7, 0.00296053/step Wall: 13448.7, 0.00296053/step, 0.305592 hours remaining, 209.929688 MB of memory in use. ENERGY: 4628400 751.1478 2111.4926 1970.7942 123.4939 -205966.6004 17598.8539 0.0000 0.0000 34357.0383 -149053.7796 300.0486 -183410.8178 -148958.9936 299.6007 -115.3327 -79.9314 558080.6491 7.0904 7.1759 PRESSURE: 4628600 157.208 131.592 136.123 131.593 226.016 42.8328 136.123 42.8333 104.199 GPRESSURE: 4628600 182.231 117.135 118.746 94.5342 290.587 66.6528 105.847 83.5421 126.264 PRESSAVG: 4628600 29.591 -20.0426 -12.8473 -20.0425 3.99211 35.6581 -12.8472 35.6583 -59.5675 GPRESSAVG: 4628600 28.9969 -20.3106 -12.3717 -21.2924 5.28245 33.6094 -12.342 37.9855 -60.0865 TIMING: 4628600 CPU: 13449.3, 0.00289597/step Wall: 13449.3, 0.00289597/step, 0.298767 hours remaining, 210.000000 MB of memory in use. ENERGY: 4628600 699.4292 2073.0409 1982.3068 103.6351 -206208.0440 18055.6637 0.0000 0.0000 34290.0675 -149003.9008 299.4637 -183293.9683 -148902.2650 299.6650 162.4742 199.6939 557154.3770 -8.6615 -8.6024 PRESSURE: 4628800 293.023 101.524 -54.7243 101.523 266.519 -89.6868 -54.7217 -89.6868 126.441 GPRESSURE: 4628800 322.073 59.6435 -105.7 136.801 257.962 -104.752 -16.0371 -22.0672 193.554 PRESSAVG: 4628800 -11.1429 30.3659 -18.0943 30.366 -8.3631 28.8089 -18.0942 28.8089 21.2571 GPRESSAVG: 4628800 -10.2114 28.604 -16.1313 30.4382 -8.534 32.0267 -18.4682 27.5685 21.0633 TIMING: 4628800 CPU: 13449.9, 0.00289836/step Wall: 13449.9, 0.00289836/step, 0.298853 hours remaining, 210.300781 MB of memory in use. ENERGY: 4628800 761.1743 2114.9399 1939.0682 104.3279 -206788.8384 18236.8274 0.0000 0.0000 34521.2122 -149111.2884 301.4823 -183632.5006 -149015.8504 299.5657 228.6610 257.8630 555202.0357 0.5837 0.7726 PRESSURE: 4629000 -0.140615 156.669 -119.879 156.668 -92.6988 -108.554 -119.88 -108.553 -332.5 GPRESSURE: 4629000 -0.233226 253.221 -136.42 106.49 -68.9805 -195.917 -100.346 -38.8013 -244.835 PRESSAVG: 4629000 15.8359 34.3737 2.39588 34.3737 -3.05429 -48.8228 2.39582 -48.8229 40.2676 GPRESSAVG: 4629000 16.0256 34.4904 1.77575 35.7499 -3.87849 -50.5261 1.87607 -48.6501 41.1229 TIMING: 4629000 CPU: 13450.5, 0.00290663/step Wall: 13450.5, 0.00290663/step, 0.299545 hours remaining, 210.300781 MB of memory in use. ENERGY: 4629000 757.8444 2070.2837 1969.2933 115.4980 -206064.3527 17602.3999 0.0000 0.0000 34464.4052 -149084.6281 300.9862 -183549.0333 -148985.2991 300.1550 -141.7796 -104.6830 557338.0372 17.6831 17.7567 PRESSURE: 4629200 43.5716 121.891 -89.034 121.893 -247.187 -85.0844 -89.0351 -85.0838 -167.898 GPRESSURE: 4629200 88.3201 123.223 -71.0253 104.02 -167.58 -103.912 -96.7646 -84.3575 -201.397 PRESSAVG: 4629200 14.0463 -8.75229 -5.14578 -8.75233 32.9595 41.2337 -5.14591 41.2338 -22.4968 GPRESSAVG: 4629200 13.9296 -7.79985 -4.9026 -8.81153 33.3815 40.645 -5.57671 41.014 -23.4741 TIMING: 4629200 CPU: 13451.1, 0.00290814/step Wall: 13451.1, 0.00290814/step, 0.299538 hours remaining, 210.300781 MB of memory in use. ENERGY: 4629200 746.2051 2073.1562 1956.7805 122.0577 -206027.2844 17555.7527 0.0000 0.0000 34410.9210 -149162.4114 300.5191 -183573.3324 -149061.7379 300.0765 -123.8380 -93.5525 556686.8655 8.1697 7.9457 PRESSURE: 4629400 109.397 112.122 63.1234 112.124 39.3244 60.678 63.1238 60.6777 -44.7486 GPRESSURE: 4629400 128.801 91.637 52.8496 154.426 86.0189 50.9695 70.6943 66.4477 -12.5063 PRESSAVG: 4629400 -16.5245 5.51969 -3.94106 5.51973 47.607 20.815 -3.94101 20.8151 -6.44474 GPRESSAVG: 4629400 -17.2758 2.72591 -5.20363 6.06696 48.7303 21.9302 -3.45405 21.4321 -7.06726 TIMING: 4629400 CPU: 13451.6, 0.00289999/step Wall: 13451.6, 0.00289999/step, 0.298538 hours remaining, 210.300781 MB of memory in use. ENERGY: 4629400 723.1956 2042.7648 1972.4728 116.0343 -206059.3894 17833.0653 0.0000 0.0000 34129.0114 -149242.8453 298.0571 -183371.8568 -149144.3212 298.9924 34.6577 67.4380 557549.2909 8.2126 8.1291 PRESSURE: 4629600 -55.5497 -34.2161 93.0733 -34.2166 -98.6066 -5.4476 93.0726 -5.44615 -289.787 GPRESSURE: 4629600 -37.3706 -22.6755 121.24 -38.3498 -48.2182 -43.417 98.8689 -17.4453 -267.143 PRESSAVG: 4629600 62.9217 7.58284 1.30662 7.58294 15.5173 -46.9785 1.30661 -46.9784 -75.0909 GPRESSAVG: 4629600 63.7362 8.83169 1.63849 6.42706 15.1412 -47.7268 0.676791 -48.5596 -75.5421 TIMING: 4629600 CPU: 13452.2, 0.00289319/step Wall: 13452.2, 0.00289319/step, 0.297677 hours remaining, 210.300781 MB of memory in use. ENERGY: 4629600 728.4561 2102.6536 1973.5822 129.3842 -206111.6698 17642.1649 0.0000 0.0000 34313.5378 -149221.8910 299.6687 -183535.4288 -149125.0661 298.7683 -147.9812 -117.5772 558273.2412 1.1160 1.1118 PRESSURE: 4629800 -187.28 -76.0733 -60.9905 -76.0737 -134.155 15.906 -60.9907 15.9046 -292.664 GPRESSURE: 4629800 -123.58 -77.5345 -1.11076 -49.5862 -111.945 70.5968 -24.9408 -27.5102 -266.004 PRESSAVG: 4629800 -20.1298 -25.9662 22.8026 -25.9663 -0.785662 -53.9573 22.8026 -53.9573 5.21169 GPRESSAVG: 4629800 -20.3166 -22.1876 25.1335 -28.7199 -1.33371 -55.3876 21.9732 -51.2662 6.14992 TIMING: 4629800 CPU: 13452.8, 0.00290168/step Wall: 13452.8, 0.00290168/step, 0.29839 hours remaining, 210.300781 MB of memory in use. ENERGY: 4629800 774.8591 2057.7944 1961.0150 107.6356 -205900.0221 17510.0300 0.0000 0.0000 34347.3559 -149141.3321 299.9640 -183488.6881 -149047.7208 299.9098 -204.6996 -167.1766 557173.8901 -5.2346 -5.1668 PRESSURE: 4630000 42.3892 57.35 44.8409 57.3516 147.48 83.8016 44.8401 83.801 23.0285 GPRESSURE: 4630000 48.2252 63.9579 60.29 10.3307 175.4 141.683 30.3749 39.6238 76.8884 PRESSAVG: 4630000 -44.8404 0.309288 -6.90474 0.309251 37.3503 -39.7821 -6.90469 -39.7822 30.7491 GPRESSAVG: 4630000 -45.5124 -2.28829 -10.6639 3.7637 37.4885 -39.8754 -5.06354 -40.7102 30.8884 TIMING: 4630000 CPU: 13453.4, 0.00290488/step Wall: 13453.4, 0.00290488/step, 0.298557 hours remaining, 210.300781 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: 4630000 725.5700 2038.5383 1947.4568 110.8693 -206373.3124 17886.1392 0.0000 0.0000 34504.4548 -149160.2839 301.3360 -183664.7388 -149061.5182 300.0192 70.9658 100.1712 556290.6415 7.7530 7.6215 PRESSURE: 4630200 178.422 78.9274 70.2377 78.9262 83.7076 -70.1454 70.2379 -70.1466 -107.366 GPRESSURE: 4630200 248.103 97.7261 35.9001 65.5514 63.6755 -17.4392 57.644 -158.25 -55.6296 PRESSAVG: 4630200 66.063 6.49018 36.8152 6.49023 1.78261 3.4555 36.8152 3.45549 -34.5249 GPRESSAVG: 4630200 66.1447 6.16787 36.6399 5.71649 1.69893 4.67136 36.5085 2.3875 -34.7857 TIMING: 4630200 CPU: 13454, 0.00290627/step Wall: 13454, 0.00290627/step, 0.298539 hours remaining, 210.300781 MB of memory in use. ENERGY: 4630200 759.8010 2091.7647 1961.0804 117.5246 -206451.9034 17966.3503 0.0000 0.0000 34170.0166 -149385.3659 298.4153 -183555.3824 -149290.1768 299.1973 51.5879 85.3829 556832.8490 11.1069 11.0193 PRESSURE: 4630400 -68.5345 -183.37 56.5228 -183.369 151.486 156.238 56.5224 156.238 55.9802 GPRESSURE: 4630400 -16.5565 -117.098 -70.7346 -252.071 146.524 110.922 69.0991 196.292 111.184 PRESSAVG: 4630400 2.33552 -20.8934 61.4149 -20.8934 -8.28189 2.47952 61.4148 2.47944 10.2708 GPRESSAVG: 4630400 2.40935 -19.4399 59.7781 -21.5992 -8.62086 1.89554 63.2962 3.58534 10.2046 TIMING: 4630400 CPU: 13454.5, 0.00289041/step Wall: 13454.5, 0.00289041/step, 0.296749 hours remaining, 210.300781 MB of memory in use. ENERGY: 4630400 722.3111 2050.2317 1970.8355 112.7433 -206491.9318 17905.1430 0.0000 0.0000 34247.2300 -149483.4372 299.0896 -183730.6672 -149383.9276 298.9994 46.3105 80.3839 556717.1822 1.4415 1.3310 PRESSURE: 4630600 -535.626 20.7464 116.119 20.7472 20.9848 -17.0889 116.119 -17.0885 246.981 GPRESSURE: 4630600 -478.302 9.48587 185.144 29.3521 43.6117 -39.6658 113.789 4.33714 250.329 PRESSAVG: 4630600 -48.218 34.1595 58.7363 34.1595 33.3464 27.1961 58.7363 27.1961 5.9462 GPRESSAVG: 4630600 -49.0093 32.0248 62.0832 34.0373 34.3118 28.6505 58.0745 26.4768 6.05289 TIMING: 4630600 CPU: 13455.1, 0.00290213/step Wall: 13455.1, 0.00290213/step, 0.297791 hours remaining, 210.300781 MB of memory in use. ENERGY: 4630600 723.6451 2062.9089 1955.4069 113.8738 -206212.0955 17730.5660 0.0000 0.0000 34145.5444 -149480.1504 298.2015 -183625.6947 -149386.7865 298.4092 -89.2199 -61.4536 557437.1528 -2.9751 -2.8815 PRESSURE: 4630800 -169.412 -21.7996 -138.095 -21.7998 -360.661 151.158 -138.094 151.158 -147.091 GPRESSURE: 4630800 -108.133 -100.79 -115.304 32.1761 -341.123 97.711 -153.629 201.969 -125.46 PRESSAVG: 4630800 -24.8433 59.5895 -0.342606 59.5895 -3.95673 -4.62525 -0.342608 -4.6252 29.2033 GPRESSAVG: 4630800 -24.2811 61.8761 -1.46569 58.9022 -5.60132 -5.37064 -2.34578 -3.20236 30.488 TIMING: 4630800 CPU: 13455.7, 0.00293573/step Wall: 13455.7, 0.00293573/step, 0.301075 hours remaining, 210.300781 MB of memory in use. ENERGY: 4630800 733.6567 2042.7382 1935.7399 115.1003 -206057.6746 17491.9160 0.0000 0.0000 34242.1711 -149496.3523 299.0454 -183738.5234 -149404.2368 298.0004 -225.7216 -191.5720 558178.9177 0.1344 0.2019 PRESSURE: 4631000 185.636 29.0141 -36.2713 29.0138 335.142 25.9433 -36.2731 25.9438 -155.286 GPRESSURE: 4631000 233.088 45.6148 64.1467 85.928 370.765 59.4955 -51.7691 -69.7889 -150.266 PRESSAVG: 4631000 53.2733 20.7153 29.7787 20.7152 -44.2371 -2.53933 29.7787 -2.53932 -32.529 GPRESSAVG: 4631000 52.4327 19.4551 32.683 20.3092 -41.9918 -2.86298 28.913 -5.06174 -33.8422 TIMING: 4631000 CPU: 13456.3, 0.00292578/step Wall: 13456.3, 0.00292578/step, 0.299893 hours remaining, 210.300781 MB of memory in use. ENERGY: 4631000 689.4963 2076.2306 1953.1256 104.9958 -206691.0752 18204.5107 0.0000 0.0000 34269.8243 -149392.8920 299.2869 -183662.7163 -149296.1369 298.5504 121.8307 151.1956 557907.4463 -7.8310 -7.8004 PRESSURE: 4631200 -160.386 -8.6242 70.8408 -8.62395 35.2465 -32.4866 70.8414 -32.4859 -70.6894 GPRESSURE: 4631200 -131.324 44.1697 118.414 -140.73 15.2819 0.810294 21.8342 23.0408 12.6063 PRESSAVG: 4631200 0.765892 13.475 -23.0953 13.475 -9.19981 -50.8075 -23.0952 -50.8074 25.9459 GPRESSAVG: 4631200 1.19886 14.0925 -26.5472 14.7635 -10.1693 -50.8079 -22.0023 -49.5208 26.2217 TIMING: 4631200 CPU: 13456.9, 0.00293035/step Wall: 13456.9, 0.00293035/step, 0.300198 hours remaining, 210.300781 MB of memory in use. ENERGY: 4631200 733.3854 2072.6052 1951.7263 111.4804 -206269.8739 17721.3457 0.0000 0.0000 34334.1636 -149345.1674 299.8488 -183679.3310 -149250.3495 299.2243 -65.2764 -34.4786 557716.4701 5.8373 5.7504 PRESSURE: 4631400 173.646 182.685 -142.884 182.683 237.165 72.7401 -142.885 72.7417 478.093 GPRESSURE: 4631400 211.629 114.731 -138.948 309.922 296.343 73.5656 -80.0784 20.857 468.604 PRESSAVG: 4631400 -6.60953 -42.997 28.7665 -42.997 -35.8292 -28.9384 28.7665 -28.9385 -5.52914 GPRESSAVG: 4631400 -5.45813 -40.3102 30.636 -44.5795 -35.5852 -29.3594 30.3911 -29.1503 -6.98952 TIMING: 4631400 CPU: 13457.5, 0.00291843/step Wall: 13457.5, 0.00291843/step, 0.298815 hours remaining, 210.300781 MB of memory in use. ENERGY: 4631400 738.8394 2073.0947 1977.6280 104.1484 -206776.7931 18275.2411 0.0000 0.0000 34250.0513 -149357.7902 299.1142 -183607.8415 -149267.1252 298.6459 296.3013 325.5255 557804.6675 -15.9893 -16.0109 PRESSURE: 4631600 -106.287 136.633 31.3364 136.632 -6.63871 -173.297 31.3363 -173.295 -82.8163 GPRESSURE: 4631600 -36.535 67.2012 49.8811 161.46 29.1649 -177.405 84.6616 -158.794 -86.146 PRESSAVG: 4631600 31.9875 1.62699 -3.82297 1.62715 -44.1016 -19.8049 -3.82306 -19.805 33.4765 GPRESSAVG: 4631600 31.6714 -1.25375 -3.42587 3.67199 -44.2233 -19.715 -4.45752 -19.7094 33.8893 TIMING: 4631600 CPU: 13458, 0.00290928/step Wall: 13458, 0.00290928/step, 0.297717 hours remaining, 210.300781 MB of memory in use. ENERGY: 4631600 742.8874 2097.1790 1970.4893 108.4134 -206417.5872 17894.1285 0.0000 0.0000 34182.4349 -149422.0548 298.5237 -183604.4897 -149326.7262 299.1411 -65.2472 -31.1720 559137.0554 7.1208 7.1124 PRESSURE: 4631800 -247.97 8.91902 48.174 8.91885 -36.8 55.9404 48.1726 55.9392 108.651 GPRESSURE: 4631800 -198.491 77.1824 4.56828 -40.5213 46.1893 -58.0406 117.618 125.722 73.3937 PRESSAVG: 4631800 -11.5055 -14.351 12.3518 -14.3511 15.5322 35.2835 12.3517 35.2835 9.98152 GPRESSAVG: 4631800 -12.1549 -14.3164 12.0492 -15.7434 15.8227 37.7797 14.191 34.5848 9.99214 TIMING: 4631800 CPU: 13458.6, 0.00291247/step Wall: 13458.6, 0.00291247/step, 0.297881 hours remaining, 210.300781 MB of memory in use. ENERGY: 4631800 719.4916 2050.2403 1959.4768 115.5369 -206130.8148 17757.8061 0.0000 0.0000 34293.9579 -149234.3052 299.4977 -183528.2631 -149135.2467 298.9771 -58.7062 -26.3025 557328.8186 4.6694 4.5533 PRESSURE: 4632000 240.277 147.104 43.4796 147.103 5.52374 175.489 43.4804 175.49 32.711 GPRESSURE: 4632000 246.284 226.123 20.6171 107.029 14.3488 115.872 13.2828 140.569 105.041 PRESSAVG: 4632000 0.859738 24.6173 -13.8093 24.6172 30.2882 62.5387 -13.8093 62.5386 -41.8016 GPRESSAVG: 4632000 1.16837 27.3798 -12.5565 25.8542 29.5935 58.4045 -15.56 64.1995 -41.3924 TIMING: 4632000 CPU: 13459.2, 0.00290352/step Wall: 13459.2, 0.00290352/step, 0.296804 hours remaining, 210.300781 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: 4632000 724.6506 2077.6429 1963.6803 112.5367 -206523.5285 17848.5639 0.0000 0.0000 34407.9621 -149388.4920 300.4933 -183796.4540 -149293.7282 299.1155 92.8374 121.8912 555464.8843 -3.5512 -3.5435 PRESSURE: 4632200 146.883 -69.4963 -39.9109 -69.4959 -148.516 23.3742 -39.9101 23.3744 91.755 GPRESSURE: 4632200 175.885 -39.4549 -94.3138 -113.394 -85.621 8.81779 0.273742 62.2761 110.775 PRESSAVG: 4632200 61.2301 4.58804 -15.0686 4.588 -53.4366 25.4864 -15.0686 25.4864 -37.6466 GPRESSAVG: 4632200 62.5636 2.58012 -15.9593 4.00008 -54.5342 28.7837 -14.0828 23.7171 -37.5796 TIMING: 4632200 CPU: 13459.8, 0.00294016/step Wall: 13459.8, 0.00294016/step, 0.300386 hours remaining, 210.300781 MB of memory in use. ENERGY: 4632200 737.7825 2052.3556 1965.1853 113.7144 -206410.2387 17893.1537 0.0000 0.0000 34396.1850 -149251.8622 300.3904 -183648.0472 -149153.4989 299.2721 30.0406 67.0130 556996.7994 -9.9510 -9.8500 LDB: ============= START OF LOAD BALANCING ============== 13463.3 LDB: ============== END OF LOAD BALANCING =============== 13463.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13463.3 LDB: ============= START OF LOAD BALANCING ============== 13463.6 LDB: Largest compute 4848 load 0.032089 is 27.2% of average load 0.117900 LDB: Average compute 0.001738 is 1.5% of average load 0.117900 LDB: TIME 13463.6 LOAD: AVG 0.1179 MAX 0.181207 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.801 MB LDB: TIME 13463.6 LOAD: AVG 0.1179 MAX 0.181207 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: TIME 13463.6 LOAD: AVG 0.1179 MAX 0.181207 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13463.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13463.6 PRESSURE: 4632400 -207.589 36.3601 45.1681 36.3607 -39.7599 -112.276 45.169 -112.276 -335.813 GPRESSURE: 4632400 -207.266 83.3356 120.722 54.3616 -7.62097 -98.1239 136.551 -7.60602 -273.058 PRESSAVG: 4632400 20.4977 2.57625 -34.7532 2.57617 -16.7645 26.0794 -34.7531 26.0794 21.4401 GPRESSAVG: 4632400 20.2138 2.63946 -34.4751 3.05641 -16.4055 24.0132 -35.3086 26.585 21.4075 TIMING: 4632400 CPU: 13460.4, 0.00297311/step Wall: 13460.4, 0.00297311/step, 0.303587 hours remaining, 206.812500 MB of memory in use. ENERGY: 4632400 725.0354 2079.1426 1985.6742 109.4175 -205892.5729 17588.8706 0.0000 0.0000 34054.6144 -149349.8182 297.4074 -183404.4325 -149254.9135 298.5488 -194.3874 -162.6486 558888.2127 8.3911 8.4052 PRESSURE: 4632600 -109.383 -47.7189 -56.9307 -47.72 -215.655 201.057 -56.9305 201.058 -187.744 GPRESSURE: 4632600 -132.026 -138.659 -72.6672 -4.80488 -139.396 230.223 -82.6178 163.319 -148.838 PRESSAVG: 4632600 -80.2657 23.3353 -4.08779 23.3352 2.45348 23.0306 -4.08786 23.0307 41.0316 GPRESSAVG: 4632600 -82.3164 23.4337 -5.89344 22.8895 3.88644 25.6393 -4.25496 21.6377 41.4312 TIMING: 4632600 CPU: 13461, 0.00291037/step Wall: 13461, 0.00291037/step, 0.297019 hours remaining, 207.140625 MB of memory in use. ENERGY: 4632600 742.9273 2097.0401 1947.0828 103.1052 -206214.4742 17639.3912 0.0000 0.0000 34257.8068 -149427.1206 299.1819 -183684.9275 -149328.0526 298.5707 -170.9273 -140.0869 557194.3457 -12.2602 -12.3329 PRESSURE: 4632800 -23.411 -54.1944 -7.95704 -54.1964 -84.3328 -48.7557 -7.95717 -48.7546 137.457 GPRESSURE: 4632800 -11.8323 1.5409 -13.9708 -49.8425 -14.6548 -131.871 42.2074 -61.0853 167.594 PRESSAVG: 4632800 -19.2338 -6.79084 -12.2217 -6.79079 -12.9631 63.0168 -12.2217 63.0167 80.5496 GPRESSAVG: 4632800 -17.2426 -7.08426 -9.66804 -7.54097 -15.1156 62.1414 -13.2756 62.8514 80.6632 TIMING: 4632800 CPU: 13461.5, 0.00289039/step Wall: 13461.5, 0.00289039/step, 0.294819 hours remaining, 207.140625 MB of memory in use. ENERGY: 4632800 757.2643 2164.2139 1978.9941 110.2913 -206325.1638 17869.9329 0.0000 0.0000 34000.6867 -149443.7807 296.9365 -183444.4674 -149346.0905 298.8554 9.9045 47.0356 557581.3710 16.1176 16.1016 PRESSURE: 4633000 -100.504 -70.0346 34.2749 -70.035 -90.169 62.5137 34.2739 62.514 99.1786 GPRESSURE: 4633000 -77.4043 -26.5948 6.03774 -70.1567 -25.1477 -60.5576 24.4374 37.0343 111.517 PRESSAVG: 4633000 4.03959 4.19658 -18.4746 4.19652 15.2966 49.2076 -18.4746 49.2076 -18.5975 GPRESSAVG: 4633000 3.25907 4.79817 -21.2316 4.56743 16.3497 49.5158 -16.7793 50.3934 -19.0948 TIMING: 4633000 CPU: 13462.1, 0.0029262/step Wall: 13462.1, 0.0029262/step, 0.29831 hours remaining, 207.140625 MB of memory in use. ENERGY: 4633000 772.8278 2135.5243 1968.3766 122.5450 -206116.3592 17754.9982 0.0000 0.0000 34067.7140 -149294.3733 297.5218 -183362.0873 -149198.7801 298.2568 -30.4982 2.9885 558428.7215 0.2463 0.1713 PRESSURE: 4633200 85.5937 8.48936 -11.9839 8.48839 -2.908 -47.2838 -11.9833 -47.2856 -85.666 GPRESSURE: 4633200 71.5462 56.8271 -11.6157 -1.49508 24.8122 -107.556 -39.0084 29.548 -8.86711 PRESSAVG: 4633200 -8.41831 15.2541 -13.203 15.254 14.5676 43.4583 -13.203 43.4583 1.8817 GPRESSAVG: 4633200 -7.52849 15.5044 -12.2417 16.1157 15.7303 42.5352 -14.4753 43.9983 0.0981207 TIMING: 4633200 CPU: 13462.7, 0.00293037/step Wall: 13462.7, 0.00293037/step, 0.298572 hours remaining, 207.140625 MB of memory in use. ENERGY: 4633200 779.7352 2148.1023 1949.6636 105.7943 -206504.7248 18015.4989 0.0000 0.0000 34210.7659 -149295.1647 298.7711 -183505.9306 -149191.4591 298.6438 -0.9934 29.1638 557824.2387 2.6770 2.7666 PRESSURE: 4633400 -85.5425 67.0866 14.9235 67.0867 -15.1139 116.755 14.9225 116.757 82.0651 GPRESSURE: 4633400 -36.1768 -64.7564 96.121 65.0471 28.6835 93.2618 -13.6597 183.761 79.051 PRESSAVG: 4633400 -14.2249 47.1215 -42.2994 47.1214 -54.1445 43.1869 -42.2994 43.1868 57.9648 GPRESSAVG: 4633400 -14.7246 47.481 -41.8492 45.2133 -54.947 42.8955 -43.7493 43.8135 58.9338 TIMING: 4633400 CPU: 13463.3, 0.00290842/step Wall: 13463.3, 0.00290842/step, 0.296174 hours remaining, 207.140625 MB of memory in use. ENERGY: 4633400 732.9269 2110.8889 1961.1170 122.2385 -206302.4085 17744.0856 0.0000 0.0000 34321.1242 -149310.0274 299.7349 -183631.1516 -149205.2398 298.9696 -6.1971 23.8526 557583.6040 -3.4682 -3.5793 PRESSURE: 4633600 173.399 -48.646 3.20076 -48.6468 7.30743 -185.64 3.19953 -185.638 -522.576 GPRESSURE: 4633600 131.684 -143.598 33.544 -59.072 29.2658 -162.245 -21.5695 -277.109 -403.683 PRESSAVG: 4633600 -13.2958 24.8874 2.9382 24.8873 20.7553 -8.10482 2.93827 -8.10495 -25.9467 GPRESSAVG: 4633600 -12.535 23.3156 1.97837 25.0465 19.9495 -6.268 5.20685 -9.84216 -25.4495 TIMING: 4633600 CPU: 13463.9, 0.00291873/step Wall: 13463.9, 0.00291873/step, 0.297062 hours remaining, 207.230469 MB of memory in use. ENERGY: 4633600 768.2705 2116.0356 1952.2119 108.9188 -205977.2828 17707.9199 0.0000 0.0000 34098.3426 -149225.5835 297.7893 -183323.9261 -149126.8972 298.9397 -113.9567 -80.9111 558782.6402 -6.1624 -6.0117 PRESSURE: 4633800 54.1298 -110.414 -115.302 -110.413 -292.124 213.031 -115.302 213.031 -230.004 GPRESSURE: 4633800 75.3543 -117.06 -77.1114 -92.313 -248.885 159.314 -135.184 208.879 -195.938 PRESSAVG: 4633800 8.88267 -8.24981 23.3221 -8.24979 35.3377 66.1715 23.3221 66.1715 -42.1779 GPRESSAVG: 4633800 9.34999 -8.69802 21.7191 -5.56324 36.0187 64.4627 24.557 67.9578 -42.7131 TIMING: 4633800 CPU: 13464.5, 0.00292054/step Wall: 13464.5, 0.00292054/step, 0.297084 hours remaining, 207.230469 MB of memory in use. ENERGY: 4633800 763.0449 2054.7354 1948.0928 113.1724 -206201.5820 17761.8991 0.0000 0.0000 34288.1642 -149272.4732 299.4471 -183560.6374 -149174.4078 299.2067 -155.9994 -123.1565 558573.7842 0.6808 0.8852 PRESSURE: 4634000 215.209 -155.493 -87.9344 -155.494 85.071 4.92586 -87.932 4.92631 164.14 GPRESSURE: 4634000 282.858 -151.058 -92.6704 -166.25 71.2843 17.9684 -94.0854 73.1044 217.512 PRESSAVG: 4634000 89.2446 -31.516 -9.6638 -31.5161 12.4654 76.6513 -9.6638 76.6514 -46.8202 GPRESSAVG: 4634000 88.884 -30.4464 -8.8936 -32.9853 11.8463 78.5568 -10.9319 74.65 -45.8424 TIMING: 4634000 CPU: 13465, 0.00291842/step Wall: 13465, 0.00291842/step, 0.296706 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4634000 739.0853 2129.7161 1942.3302 111.6835 -206696.6670 18214.9691 0.0000 0.0000 34223.7993 -149335.0835 298.8850 -183558.8828 -149237.0044 298.5020 154.8066 190.5516 557196.0071 18.2966 18.2960 PRESSURE: 4634200 23.6308 117.211 -108.655 117.212 -69.1754 23.5634 -108.656 23.5641 275.1 GPRESSURE: 4634200 88.6525 75.41 -134.503 74.8992 -57.4695 -26.6028 -170.927 93.7759 292.981 PRESSAVG: 4634200 24.1741 -43.1269 6.64588 -43.1269 -12.6036 -1.60991 6.64589 -1.6098 18.9333 GPRESSAVG: 4634200 23.5987 -42.2357 8.08722 -44.2632 -12.95 -2.72553 7.1684 -0.572775 19.983 TIMING: 4634200 CPU: 13465.6, 0.00291435/step Wall: 13465.6, 0.00291435/step, 0.29613 hours remaining, 207.281250 MB of memory in use. ENERGY: 4634200 767.0152 2121.4400 1941.9769 116.2931 -206434.0158 18023.4909 0.0000 0.0000 34154.9138 -149308.8859 298.2834 -183463.7997 -149219.0191 298.9136 76.5186 108.0548 556764.6617 10.1679 10.2106 PRESSURE: 4634400 -120.901 141.091 112.665 141.091 562.088 45.4588 112.664 45.4601 144.574 GPRESSURE: 4634400 -56.4112 216.341 167.769 62.8116 540.56 8.59842 -9.09671 -34.2385 196.631 PRESSAVG: 4634400 -30.9993 10.1492 -34.9525 10.1493 -11.8282 -32.3438 -34.9526 -32.3438 11.2074 GPRESSAVG: 4634400 -29.972 9.02683 -34.2155 12.8681 -11.1157 -33.7928 -35.8614 -32.1458 9.88059 TIMING: 4634400 CPU: 13466.2, 0.0028959/step Wall: 13466.2, 0.0028959/step, 0.294095 hours remaining, 207.281250 MB of memory in use. ENERGY: 4634400 721.4312 2181.2036 1932.4852 120.3016 -206701.1714 18210.0537 0.0000 0.0000 34198.1829 -149337.5133 298.6612 -183535.6963 -149241.9666 298.2517 195.2537 226.9263 557165.7493 -10.5400 -10.4024 PRESSURE: 4634600 21.7438 35.7336 25.5718 35.7337 15.2448 3.19165 25.5723 3.1927 260.757 GPRESSURE: 4634600 -21.2524 82.5553 -12.882 30.5086 105.17 20.305 97.9647 -106.194 319.867 PRESSAVG: 4634600 -46.1516 18.8026 -67.9363 18.8025 46.1707 -20.889 -67.9362 -20.889 -2.61408 GPRESSAVG: 4634600 -45.3817 17.9742 -68.7908 17.175 45.7362 -17.6936 -66.2306 -23.3277 -2.18418 TIMING: 4634600 CPU: 13466.8, 0.00291706/step Wall: 13466.8, 0.00291706/step, 0.296082 hours remaining, 207.281250 MB of memory in use. ENERGY: 4634600 722.1577 2153.9228 1938.5489 121.2159 -206252.0849 17930.9558 0.0000 0.0000 34136.0592 -149249.2245 298.1187 -183385.2837 -149155.6309 298.6795 99.2485 134.5949 557061.7570 -0.8650 -0.6099 PRESSURE: 4634800 0.739527 -23.3761 -171.484 -23.3778 162.89 -134.702 -171.483 -134.702 189.062 GPRESSURE: 4634800 85.2385 -3.91367 -136.772 86.3046 164.296 -150.168 -169.506 -101.921 191.453 PRESSAVG: 4634800 17.5183 2.35069 14.5567 2.3506 -51.0813 12.5395 14.5567 12.5395 38.0443 GPRESSAVG: 4634800 17.1159 4.24277 14.6196 1.30957 -50.0808 10.0198 14.6299 13.9068 37.4566 TIMING: 4634800 CPU: 13467.4, 0.00289622/step Wall: 13467.4, 0.00289622/step, 0.293806 hours remaining, 207.281250 MB of memory in use. ENERGY: 4634800 730.2537 2110.8137 1965.4868 114.3018 -206065.8034 17975.3980 0.0000 0.0000 34132.9603 -149036.5890 298.0916 -183169.5493 -148945.3820 299.6290 117.5641 146.9957 557500.6418 1.4938 1.4972 PRESSURE: 4635000 191.727 47.7971 -70.4396 47.7975 76.0343 -47.9019 -70.4397 -47.903 -251.855 GPRESSURE: 4635000 135.879 -17.94 -29.8708 60.5113 137.972 -12.5157 -1.52875 -43.8065 -161.066 PRESSAVG: 4635000 4.30404 13.0632 21.4519 13.0633 -7.17909 -5.44804 21.4519 -5.44805 -2.50886 GPRESSAVG: 4635000 2.98908 11.9814 22.8362 14.7492 -7.12204 -3.67554 17.8092 -5.84972 -0.58194 TIMING: 4635000 CPU: 13468, 0.00290937/step Wall: 13468, 0.00290937/step, 0.294977 hours remaining, 207.281250 MB of memory in use. ENERGY: 4635000 740.4732 2094.8432 1962.4247 112.1745 -205901.2757 17797.8578 0.0000 0.0000 34184.6803 -149008.8219 298.5433 -183193.5022 -148919.0394 299.5158 5.3020 37.5947 556824.5697 -1.7946 -1.5716 PRESSURE: 4635200 187.429 -74.4961 111.375 -74.4953 27.573 69.7018 111.375 69.6998 14.4818 GPRESSURE: 4635200 222.219 -107.351 98.3381 -52.2205 8.61862 103.466 36.2768 68.3181 93.8398 PRESSAVG: 4635200 -6.16546 8.62965 -0.661371 8.62971 39.3747 41.7889 -0.661413 41.7889 -28.0895 GPRESSAVG: 4635200 -4.41803 9.36181 -3.03799 7.10484 39.342 41.2137 1.85075 42.6932 -29.4196 TIMING: 4635200 CPU: 13468.5, 0.00290586/step Wall: 13468.5, 0.00290586/step, 0.294461 hours remaining, 207.281250 MB of memory in use. ENERGY: 4635200 704.2565 2146.9022 1954.6172 103.6817 -205965.0673 17844.9048 0.0000 0.0000 34083.7844 -149126.9204 297.6622 -183210.7049 -149028.6020 299.4754 76.4946 108.2258 556825.4086 1.7066 1.8348 PRESSURE: 4635400 170.856 38.0351 172.838 38.0349 97.7938 36.4389 172.839 36.4375 -39.7368 GPRESSURE: 4635400 228.341 51.4805 127.273 54.254 104.95 50.0102 137.176 5.77788 -11.6549 PRESSAVG: 4635400 -4.44029 26.7947 -3.63766 26.7948 37.4653 53.7142 -3.63766 53.7143 -35.087 GPRESSAVG: 4635400 -4.88231 28.6212 -3.6228 26.9235 38.4486 51.8285 -4.18725 52.9764 -35.6056 TIMING: 4635400 CPU: 13469.1, 0.00291733/step Wall: 13469.1, 0.00291733/step, 0.295461 hours remaining, 207.281250 MB of memory in use. ENERGY: 4635400 753.0279 2107.9933 1952.4383 107.7539 -206631.6686 18136.5775 0.0000 0.0000 34449.6054 -149124.2723 300.8570 -183573.8777 -149027.7318 299.0738 76.3042 107.2121 557995.8444 -0.6873 -0.6798 PRESSURE: 4635600 111.661 37.3522 -26.1401 37.3514 -35.7187 -152.326 -26.1397 -152.326 -303.925 GPRESSURE: 4635600 158.279 21.5218 -0.42913 -12.2321 -15.8287 -72.6052 1.90894 -99.6839 -277.312 PRESSAVG: 4635600 21.3591 -40.3191 -12.3906 -40.3192 20.646 -4.11614 -12.3906 -4.11609 -14.3588 GPRESSAVG: 4635600 21.7526 -42.8618 -10.4578 -38.7515 19.6706 -4.253 -12.2216 -1.87139 -13.6645 TIMING: 4635600 CPU: 13469.7, 0.00292015/step Wall: 13469.7, 0.00292015/step, 0.295585 hours remaining, 207.281250 MB of memory in use. ENERGY: 4635600 802.8759 2071.0183 1956.2052 115.2266 -205977.3700 17785.1196 0.0000 0.0000 34070.2018 -149176.7226 297.5435 -183246.9244 -149077.2755 299.1032 -75.9941 -44.9538 558554.6643 9.2154 9.2529 PRESSURE: 4635800 -79.7229 8.06037 129.856 8.05983 -278.866 -69.7975 129.857 -69.7976 69.9982 GPRESSURE: 4635800 -58.0285 10.2027 95.7131 29.4288 -165.151 -38.7255 170.802 -104.102 35.3742 PRESSAVG: 4635800 -39.9306 -36.7924 -0.442957 -36.7924 36.0554 12.743 -0.442923 12.7428 -28.0745 GPRESSAVG: 4635800 -39.2595 -36.8054 -0.731408 -37.7545 35.764 13.633 0.00135488 13.7212 -28.1319 TIMING: 4635800 CPU: 13470.3, 0.00293674/step Wall: 13470.3, 0.00293674/step, 0.2971 hours remaining, 207.281250 MB of memory in use. ENERGY: 4635800 745.9199 2124.9688 1955.9394 107.9185 -206261.6077 17813.2864 0.0000 0.0000 34382.4427 -149131.1320 300.2704 -183513.5747 -149036.3928 299.5748 -96.1970 -62.6018 558111.6916 -10.6499 -10.5425 PRESSURE: 4636000 132.29 30.3086 -73.4783 30.3082 -79.9221 -139.878 -73.4789 -139.879 200.359 GPRESSURE: 4636000 149.114 23.1771 -73.1649 54.4727 -79.8457 -104.061 -117.459 -50.7874 297.037 PRESSAVG: 4636000 -21.9649 -58.3374 4.38795 -58.3374 -3.62441 -36.1771 4.38804 -36.1771 38.6031 GPRESSAVG: 4636000 -22.454 -58.0758 3.43754 -57.7407 -3.45011 -35.9206 5.32275 -39.8442 39.3884 TIMING: 4636000 CPU: 13470.9, 0.00291775/step Wall: 13470.9, 0.00291775/step, 0.295017 hours remaining, 207.281250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4636000 721.7478 2106.6437 1944.2275 112.2165 -206417.5457 17862.3704 0.0000 0.0000 34455.0064 -149215.3334 300.9041 -183670.3398 -149110.5527 299.3943 84.2425 122.1019 557455.0456 4.3379 4.4948 PRESSURE: 4636200 -159.822 -36.6492 67.0156 -36.6502 30.7484 95.1403 67.014 95.1404 231.431 GPRESSURE: 4636200 -101.973 -71.3318 24.531 14.5706 50.826 125.619 96.9617 101.642 249.937 PRESSAVG: 4636200 -0.0495185 24.4101 22.7797 24.4101 -13.7667 -21.9053 22.7797 -21.9053 45.6773 GPRESSAVG: 4636200 -0.947042 26.1667 22.633 23.3874 -12.0074 -21.7201 21.5476 -19.7078 44.4215 TIMING: 4636200 CPU: 13471.5, 0.00290575/step Wall: 13471.5, 0.00290575/step, 0.293642 hours remaining, 207.281250 MB of memory in use. ENERGY: 4636200 721.3758 2117.8036 1964.4082 110.5635 -205735.3795 17703.1040 0.0000 0.0000 33966.7575 -149151.3669 296.6401 -183118.1244 -149051.4157 298.8186 34.1194 66.2634 556642.7042 10.6203 10.4890 LDB: ============= START OF LOAD BALANCING ============== 13474.9 LDB: ============== END OF LOAD BALANCING =============== 13474.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13474.9 LDB: ============= START OF LOAD BALANCING ============== 13475.2 LDB: Largest compute 4848 load 0.031208 is 26.5% of average load 0.117882 LDB: Average compute 0.001734 is 1.5% of average load 0.117882 LDB: TIME 13475.2 LOAD: AVG 0.117882 MAX 0.185096 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 13475.2 LOAD: AVG 0.117882 MAX 0.185096 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: TIME 13475.2 LOAD: AVG 0.117882 MAX 0.185096 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 13475.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13475.2 PRESSURE: 4636400 -110.051 -60.9616 8.61733 -60.9605 -12.1058 5.67451 8.61622 5.67543 -354.812 GPRESSURE: 4636400 -69.1555 -62.0645 -49.9486 -72.1318 26.8315 -27.0658 41.829 48.4068 -326.787 PRESSAVG: 4636400 8.63504 14.4403 -20.9885 14.4404 12.0586 -8.67311 -20.9885 -8.67308 11.9186 GPRESSAVG: 4636400 8.7565 14.582 -20.0052 13.0223 9.4928 -8.85481 -22.6582 -8.74285 13.8675 TIMING: 4636400 CPU: 13472, 0.00296177/step Wall: 13472, 0.00296177/step, 0.299139 hours remaining, 207.949219 MB of memory in use. ENERGY: 4636400 773.4749 2074.5962 1943.3910 106.3594 -205666.7382 17549.6864 0.0000 0.0000 34182.6930 -149036.5373 298.5260 -183219.2303 -148941.9643 299.2236 -158.9896 -123.0370 556079.2323 10.8708 10.7056 PRESSURE: 4636600 280.153 -11.8353 -62.4099 -11.8359 -22.7412 -231.2 -62.4082 -231.199 20.6254 GPRESSURE: 4636600 292.539 16.928 -108.075 10.8803 62.5398 -290.323 -26.6334 -161.744 12.2264 PRESSAVG: 4636600 -32.5249 21.9827 -23.4096 21.9827 25.3919 -74.6328 -23.4096 -74.6327 27.0981 GPRESSAVG: 4636600 -32.3232 19.8301 -23.2734 24.1836 27.4467 -75.4128 -22.3557 -75.3473 24.9128 TIMING: 4636600 CPU: 13472.6, 0.0029255/step Wall: 13472.6, 0.0029255/step, 0.295313 hours remaining, 208.058594 MB of memory in use. ENERGY: 4636600 710.3457 2068.9120 1943.0746 106.1447 -206295.1370 17882.7868 0.0000 0.0000 34369.6924 -149214.1808 300.1591 -183583.8732 -149120.0859 299.3013 92.6792 122.4349 555473.6819 6.6550 6.6787 PRESSURE: 4636800 -197.141 -99.5032 139.124 -99.5035 -153.811 54.4229 139.123 54.4223 -386.625 GPRESSURE: 4636800 -188.427 -100.279 91.2028 -131.831 -110.674 75.1421 98.3902 52.6008 -340.407 PRESSAVG: 4636800 41.2279 2.89654 -21.6852 2.89658 -15.4273 -27.0572 -21.6851 -27.0572 -14.8695 GPRESSAVG: 4636800 41.3646 3.56313 -21.9663 2.87483 -15.7034 -26.1064 -21.0043 -27.9035 -14.2091 TIMING: 4636800 CPU: 13473.2, 0.00292274/step Wall: 13473.2, 0.00292274/step, 0.294872 hours remaining, 208.058594 MB of memory in use. ENERGY: 4636800 770.3826 2138.0283 1936.0244 120.7860 -205866.6716 17484.2446 0.0000 0.0000 34124.5983 -149292.6074 298.0186 -183417.2057 -149197.5395 298.9975 -245.8588 -213.1693 557679.1120 3.6437 3.8174 PRESSURE: 4637000 -232.431 78.4471 14.6112 78.4477 -158.421 -70.8716 14.6113 -70.8705 -142.561 GPRESSURE: 4637000 -133.227 20.2555 -18.8499 170.242 -212.92 -103.315 16.2493 -73.7392 -93.2952 PRESSAVG: 4637000 68.2902 -5.89382 26.573 -5.89379 -8.41835 -12.5377 26.5731 -12.5378 -20.0091 GPRESSAVG: 4637000 67.7797 -5.4705 25.4822 -6.81669 -9.17992 -12.8849 27.4478 -12.7111 -18.434 TIMING: 4637000 CPU: 13473.8, 0.00290938/step Wall: 13473.8, 0.00290938/step, 0.293363 hours remaining, 208.058594 MB of memory in use. ENERGY: 4637000 763.5598 2145.8406 1955.1184 112.0257 -205835.2130 17363.3638 0.0000 0.0000 34276.0292 -149219.2755 299.3411 -183495.3048 -149118.2754 299.6154 -177.8045 -146.4806 557430.6949 13.2876 13.3886 PRESSURE: 4637200 171.54 15.8192 -17.773 15.8196 -74.8129 -9.59887 -17.774 -9.59721 -77.5664 GPRESSURE: 4637200 175.911 91.6894 -18.6723 -97.0425 -45.4846 -22.9938 -23.8722 -50.7537 -30.3873 PRESSAVG: 4637200 53.267 44.3274 -11.7171 44.3274 -66.4802 -52.5466 -11.7171 -52.5467 29.1587 GPRESSAVG: 4637200 52.7251 44.3437 -10.849 44.4351 -65.3245 -52.0262 -12.9411 -53.4258 28.4599 TIMING: 4637200 CPU: 13474.4, 0.0028989/step Wall: 13474.4, 0.0028989/step, 0.292145 hours remaining, 208.058594 MB of memory in use. ENERGY: 4637200 717.3667 2165.2280 1954.4577 121.9071 -206721.5656 17908.7747 0.0000 0.0000 34495.5195 -149358.3119 301.2580 -183853.8314 -149261.6668 300.0489 6.3868 33.3463 556126.6624 5.3152 5.2868 PRESSURE: 4637400 -39.739 -1.82882 -17.899 -1.82728 -67.0965 -114.828 -17.8988 -114.829 -171.596 GPRESSURE: 4637400 -23.6133 -63.5388 -82.5298 -19.8315 -64.3427 -130.219 11.2943 -162.57 -107.326 PRESSAVG: 4637400 0.653282 11.0741 -5.3998 11.074 -1.27827 -84.1438 -5.39977 -84.1438 1.70053 GPRESSAVG: 4637400 2.5091 10.2803 -5.31156 9.91677 -2.09292 -87.9291 -5.07448 -82.9032 0.894633 TIMING: 4637400 CPU: 13475, 0.00289693/step Wall: 13475, 0.00289693/step, 0.291785 hours remaining, 208.058594 MB of memory in use. ENERGY: 4637400 745.2406 2089.8395 1957.3198 128.5248 -206305.9488 17759.8760 0.0000 0.0000 34104.9150 -149520.2331 297.8467 -183625.1481 -149425.4130 298.7956 -92.8105 -65.0941 556834.7145 0.3585 0.4369 PRESSURE: 4637600 28.4396 -9.92756 100.092 -9.92652 -73.0058 38.6862 100.093 38.6877 -41.7888 GPRESSURE: 4637600 52.0919 32.3331 139.103 -22.439 -15.1853 11.2189 38.1984 38.3846 -17.5071 PRESSAVG: 4637600 18.7008 -14.8893 7.34746 -14.8894 -18.1616 -68.136 7.34749 -68.136 -35.6044 GPRESSAVG: 4637600 19.4354 -14.5433 7.55667 -13.7412 -18.6025 -65.1189 5.59964 -68.6616 -35.4896 TIMING: 4637600 CPU: 13475.5, 0.00292798/step Wall: 13475.5, 0.00292798/step, 0.29475 hours remaining, 208.058594 MB of memory in use. ENERGY: 4637600 752.2910 2082.8428 1955.5556 107.9445 -206578.4031 17904.8037 0.0000 0.0000 34157.5330 -149617.4324 298.3062 -183774.9655 -149524.6146 298.8867 -28.7850 6.4665 557122.0774 -11.6884 -11.5522 PRESSURE: 4637800 33.0431 50.3127 -60.7501 50.3127 -7.6596 -44.3275 -60.7517 -44.3274 -38.2213 GPRESSURE: 4637800 70.3743 81.7814 -118.604 34.7823 54.6922 60.0296 6.84179 -92.0795 -42.2188 PRESSAVG: 4637800 64.1503 16.6885 0.477001 16.6885 -27.6579 -79.0086 0.477003 -79.0086 3.66401 GPRESSAVG: 4637800 64.1794 16.9302 0.870785 15.9931 -27.7807 -79.8476 2.49821 -79.1152 3.7161 TIMING: 4637800 CPU: 13476.1, 0.00293039/step Wall: 13476.1, 0.00293039/step, 0.29483 hours remaining, 208.058594 MB of memory in use. ENERGY: 4637800 724.6243 2081.4115 1947.3912 118.8717 -206385.3248 17794.4889 0.0000 0.0000 34088.6186 -149629.9186 297.7044 -183718.5372 -149535.4259 298.7632 -4.2793 27.6159 557104.5462 13.3855 13.3716 PRESSURE: 4638000 283.136 -160.002 151.757 -160.003 -173.471 -13.91 151.758 -13.9083 140.016 GPRESSURE: 4638000 334.95 -148.943 121.418 -153.636 -109.449 -56.1543 112.829 73.1986 135.978 PRESSAVG: 4638000 24.698 -48.6805 2.10429 -48.6804 -3.24682 43.7254 2.1043 43.7253 47.2143 GPRESSAVG: 4638000 23.619 -48.5705 0.784419 -48.6085 -2.95229 44.4826 2.05452 44.9546 47.7579 TIMING: 4638000 CPU: 13476.7, 0.00294258/step Wall: 13476.7, 0.00294259/step, 0.295893 hours remaining, 208.058594 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: 4638000 728.0094 2132.8294 1941.6887 113.3586 -206556.5685 17946.6156 0.0000 0.0000 34218.1572 -149475.9096 298.8357 -183694.0668 -149382.2338 298.6138 83.2272 120.4930 557348.9565 22.8885 22.8082 PRESSURE: 4638200 -140.576 -118.006 203.129 -118.006 73.7431 66.3518 203.129 66.351 106.379 GPRESSURE: 4638200 -49.8641 -114.66 156.873 -197.673 143.694 95.9233 165.439 15.9336 47.5221 PRESSAVG: 4638200 72.8198 13.564 25.8801 13.5641 -71.602 -15.1364 25.88 -15.1363 -14.1371 GPRESSAVG: 4638200 72.7349 13.4071 25.2856 14.2217 -69.8999 -12.8223 26.3883 -18.2144 -15.6285 TIMING: 4638200 CPU: 13477.3, 0.00293256/step Wall: 13477.3, 0.00293256/step, 0.294722 hours remaining, 208.058594 MB of memory in use. ENERGY: 4638200 706.8249 2107.7867 1992.8366 107.7289 -206561.6248 17883.3657 0.0000 0.0000 34177.6189 -149585.4631 298.4816 -183763.0819 -149496.1994 298.7057 13.1823 47.1175 557553.9631 -4.3064 -4.2645 PRESSURE: 4638400 -116.421 -81.6635 101.938 -81.664 321.905 88.3238 101.936 88.3229 -44.4691 GPRESSURE: 4638400 -41.0357 -62.3656 35.1323 -118.897 322.376 78.8707 48.7668 43.4051 -41.3864 PRESSAVG: 4638400 -13.4856 10.6473 61.9339 10.6472 -17.015 19.2361 61.9338 19.2361 9.55678 GPRESSAVG: 4638400 -13.0218 10.1807 62.7288 11.5027 -19.1248 17.3136 62.9428 21.7106 10.8816 TIMING: 4638400 CPU: 13477.9, 0.0029311/step Wall: 13477.9, 0.0029311/step, 0.294413 hours remaining, 208.058594 MB of memory in use. ENERGY: 4638400 730.5898 2133.7987 1966.1278 117.9906 -206314.5398 17896.6884 0.0000 0.0000 34063.7660 -149405.5786 297.4873 -183469.3445 -149309.8408 298.1534 53.6714 79.9847 558706.0759 -6.9813 -7.0884 PRESSURE: 4638600 36.8697 20.5508 61.709 20.55 154.59 -102.62 61.7086 -102.62 -48.0751 GPRESSURE: 4638600 50.3518 22.5759 12.0429 21.8393 195.071 -124.702 44.3877 -62.7614 -9.68914 PRESSAVG: 4638600 -27.1525 -4.36687 -28.3057 -4.36683 -9.46793 -1.71769 -28.3058 -1.71761 25.7988 GPRESSAVG: 4638600 -27.7002 -4.49952 -27.7096 -4.97699 -8.1318 -1.26604 -29.5215 -2.99251 25.3357 TIMING: 4638600 CPU: 13478.5, 0.00293205/step Wall: 13478.5, 0.00293205/step, 0.294345 hours remaining, 208.058594 MB of memory in use. ENERGY: 4638600 765.1157 2042.0480 1964.3454 131.9852 -206673.2866 18103.2533 0.0000 0.0000 34264.4632 -149402.0757 299.2401 -183666.5389 -149302.2320 298.9133 47.7949 78.5778 560018.1515 -3.6072 -3.4988 PRESSURE: 4638800 -172.725 -166.891 -16.6773 -166.892 -218.626 84.1393 -16.6766 84.1415 -116.016 GPRESSURE: 4638800 -142.665 -156.365 -77.6486 -176.221 -194.306 19.7128 -31.1609 159.005 -76.298 PRESSAVG: 4638800 -43.0609 -6.60064 10.1191 -6.60068 -84.1418 -9.66072 10.1191 -9.6608 33.1628 GPRESSAVG: 4638800 -42.403 -5.85657 10.8799 -6.51224 -84.3356 -8.71241 10.2309 -9.39309 32.8271 TIMING: 4638800 CPU: 13479.1, 0.00292722/step Wall: 13479.1, 0.00292722/step, 0.293698 hours remaining, 208.058594 MB of memory in use. ENERGY: 4638800 770.0207 2114.1192 1951.5114 138.6904 -206315.5602 17699.6645 0.0000 0.0000 34246.3294 -149395.2246 299.0817 -183641.5539 -149296.1936 298.7768 -169.1224 -137.7561 558281.7853 -31.3466 -31.3038 PRESSURE: 4639000 203.302 -62.6621 3.63252 -62.6624 169.951 -14.2663 3.63157 -14.2664 28.6482 GPRESSURE: 4639000 239.728 -75.0427 29.922 -20.9101 215.717 -12.3845 -12.7059 72.2853 44.4023 PRESSAVG: 4639000 -35.5665 -15.101 -14.4479 -15.1009 -30.8243 17.6852 -14.4479 17.6851 78.1367 GPRESSAVG: 4639000 -35.7786 -12.5961 -17.4165 -16.3693 -30.1022 16.5013 -12.5926 16.6363 77.9332 TIMING: 4639000 CPU: 13479.6, 0.00291354/step Wall: 13479.6, 0.00291354/step, 0.292163 hours remaining, 208.058594 MB of memory in use. ENERGY: 4639000 752.4404 2078.5593 1983.0436 121.7865 -206442.5081 18097.4383 0.0000 0.0000 34155.6239 -149253.6161 298.2896 -183409.2401 -149162.3934 299.1594 133.9671 166.6159 556967.5241 3.9153 4.0175 PRESSURE: 4639200 167.998 39.3591 53.7381 39.3584 4.74312 106.242 53.7381 106.242 -27.7529 GPRESSURE: 4639200 176.464 -0.604373 86.2451 98.5499 26.0768 158.243 87.9201 63.6396 38.6892 PRESSAVG: 4639200 50.4839 20.6696 22.0181 20.6697 -12.6921 31.8923 22.0181 31.8923 -11.3937 GPRESSAVG: 4639200 49.5585 18.1494 23.365 22.2499 -12.8917 30.2959 21.9828 34.6089 -11.1874 TIMING: 4639200 CPU: 13480.2, 0.00290812/step Wall: 13480.2, 0.00290812/step, 0.291458 hours remaining, 208.058594 MB of memory in use. ENERGY: 4639200 720.8825 2089.5682 1973.8439 120.8558 -206465.1085 17942.3116 0.0000 0.0000 34241.7233 -149375.9231 299.0415 -183617.6465 -149275.8021 299.1035 48.3295 80.4099 557222.3173 8.7994 8.4932 PRESSURE: 4639400 -273.308 -55.9018 -2.58969 -55.9018 -148.955 85.9924 -2.58906 85.9919 -221.161 GPRESSURE: 4639400 -182.733 -52.6418 -37.1002 3.66826 -110.281 102.195 40.211 45.9156 -238.416 PRESSAVG: 4639400 10.834 36.5065 -32.5409 36.5066 63.4034 3.66249 -32.5409 3.6624 -59.2956 GPRESSAVG: 4639400 11.1936 36.7496 -31.575 35.2931 63.9888 5.08055 -33.4267 1.16155 -59.8609 TIMING: 4639400 CPU: 13480.8, 0.00291295/step Wall: 13480.8, 0.00291295/step, 0.291781 hours remaining, 208.261719 MB of memory in use. ENERGY: 4639400 774.8273 2109.9098 1951.9176 108.4948 -205852.7239 17527.6395 0.0000 0.0000 34146.7768 -149233.1582 298.2123 -183379.9349 -149137.7869 299.8015 -214.4746 -177.1434 558248.7049 4.9806 5.1072 PRESSURE: 4639600 -49.9153 -238.552 117.262 -238.553 -65.7429 51.1286 117.261 51.1268 -158.1 GPRESSURE: 4639600 -44.8316 -239.678 -35.7624 -192.158 -23.0499 56.6074 71.987 126.651 -101.898 PRESSAVG: 4639600 -39.8458 -59.4898 -6.75232 -59.4898 58.7187 53.4247 -6.7523 53.4247 14.8521 GPRESSAVG: 4639600 -40.6448 -59.9319 -7.09191 -59.0743 57.9353 52.0984 -7.04236 57.1552 15.9041 TIMING: 4639600 CPU: 13481.4, 0.00291007/step Wall: 13481.4, 0.00291007/step, 0.291331 hours remaining, 208.261719 MB of memory in use. ENERGY: 4639600 769.7170 2086.4494 1950.0487 114.1772 -206479.1923 17826.1361 0.0000 0.0000 34364.1201 -149368.5437 300.1104 -183732.6638 -149276.6191 299.5495 -91.2527 -56.5932 556234.5361 11.2417 11.0649 PRESSURE: 4639800 129.479 50.3658 83.2691 50.3664 242.41 -43.271 83.27 -43.2689 -31.4856 GPRESSURE: 4639800 142.807 124.236 -22.8633 70.7823 260.951 -110.891 64.6225 3.66107 51.1808 PRESSAVG: 4639800 10.2671 -20.999 -31.8261 -20.999 -11.5159 -20.385 -31.826 -20.385 40.8533 GPRESSAVG: 4639800 10.6743 -20.4501 -31.7786 -21.3863 -11.4182 -18.3918 -33.1912 -22.5033 41.4066 TIMING: 4639800 CPU: 13482, 0.00291493/step Wall: 13482, 0.00291493/step, 0.291655 hours remaining, 208.261719 MB of memory in use. ENERGY: 4639800 751.3801 2139.3611 1947.2424 108.9618 -206402.1469 18064.1320 0.0000 0.0000 34063.2910 -149327.7784 297.4832 -183391.0694 -149241.4293 299.1099 113.4680 151.6462 557077.2702 13.2015 13.5542 PRESSURE: 4640000 -43.313 41.6514 81.562 41.6511 -225.846 -51.8141 81.5619 -51.8144 -376.758 GPRESSURE: 4640000 6.19585 33.881 35.5452 43.3977 -202.931 -22.3467 143.837 -55.3731 -343.937 PRESSAVG: 4640000 -19.0008 -10.6464 4.79734 -10.6463 -20.9595 76.6131 4.79736 76.613 -2.7931 GPRESSAVG: 4640000 -18.4445 -10.2214 3.77058 -12.3888 -21.0796 76.2215 5.68644 74.4318 -1.95627 TIMING: 4640000 CPU: 13482.6, 0.00290937/step Wall: 13482.6, 0.00290937/step, 0.290937 hours remaining, 208.261719 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: 4640000 731.7639 2124.1194 1968.5209 113.2238 -205777.2495 17453.4999 0.0000 0.0000 34042.1883 -149343.9333 297.2989 -183386.1216 -149249.8880 298.9716 -215.3054 -180.2238 558331.1324 -14.2511 -13.8268 PRESSURE: 4640200 -180.816 -135.506 -27.4463 -135.506 -31.8183 139.765 -27.4467 139.766 -48.3256 GPRESSURE: 4640200 -112.169 -37.2386 11.6794 -196.404 -31.3752 131.365 -48.4049 125.899 4.54706 PRESSAVG: 4640200 46.3458 19.0892 4.81847 19.0892 -0.624802 -14.4782 4.81846 -14.4783 -28.3153 GPRESSAVG: 4640200 46.8881 17.395 5.09527 22.3912 0.621032 -14.2401 4.92567 -12.8576 -29.6497 TIMING: 4640200 CPU: 13483.1, 0.00293402/step Wall: 13483.1, 0.00293402/step, 0.293239 hours remaining, 208.261719 MB of memory in use. ENERGY: 4640200 710.7482 2097.1588 1961.3585 121.6094 -206234.1332 17740.7017 0.0000 0.0000 34371.2320 -149231.3246 300.1725 -183602.5566 -149130.8285 298.3705 -86.9868 -46.3325 556507.3133 5.8019 5.9531 LDB: ============= START OF LOAD BALANCING ============== 13486.6 LDB: ============== END OF LOAD BALANCING =============== 13486.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13486.6 LDB: ============= START OF LOAD BALANCING ============== 13486.9 LDB: Largest compute 4848 load 0.031759 is 27.0% of average load 0.117826 LDB: Average compute 0.001728 is 1.5% of average load 0.117826 LDB: TIME 13486.9 LOAD: AVG 0.117826 MAX 0.186326 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 13486.9 LOAD: AVG 0.117826 MAX 0.186326 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: TIME 13486.9 LOAD: AVG 0.117826 MAX 0.186326 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.152 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13486.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13486.9 PRESSURE: 4640400 169.246 -113.844 47.1348 -113.843 -74.1447 99.8162 47.1361 99.8172 -39.6134 GPRESSURE: 4640400 178.375 -69.6718 112.122 -74.1587 -26.0933 122.677 44.2159 60.9914 -1.46671 PRESSAVG: 4640400 -16.0969 -52.6796 22.9485 -52.6795 -33.6338 -16.1801 22.9485 -16.1801 25.3064 GPRESSAVG: 4640400 -16.2823 -50.7001 24.6737 -54.0296 -33.5106 -16.1802 21.5956 -16.7502 26.1277 TIMING: 4640400 CPU: 13483.7, 0.00296841/step Wall: 13483.7, 0.00296841/step, 0.296511 hours remaining, 206.902344 MB of memory in use. ENERGY: 4640400 719.9635 2082.9597 1965.5807 115.7273 -206483.3914 17902.1390 0.0000 0.0000 34373.1722 -149323.8490 300.1895 -183697.0212 -149225.3634 299.3506 18.4961 50.2716 557040.7164 -8.1414 -7.8884 PRESSURE: 4640600 20.2697 4.31528 29.3104 4.31511 -221.675 -211.607 29.3103 -211.608 -74.8697 GPRESSURE: 4640600 29.2213 65.1953 110.88 1.12075 -180.204 -219.975 -24.0588 -209.124 -15.2654 PRESSAVG: 4640600 42.9465 -11.3889 12.5207 -11.3889 -56.4694 17.202 12.5207 17.202 -4.74922 GPRESSAVG: 4640600 43.6993 -11.3423 13.3526 -11.5028 -55.8556 17.0273 12.2706 17.818 -5.86533 TIMING: 4640600 CPU: 13484.3, 0.00293154/step Wall: 13484.3, 0.00293154/step, 0.292666 hours remaining, 206.902344 MB of memory in use. ENERGY: 4640600 733.5195 2121.7604 1986.4985 118.1895 -205743.9717 17464.1752 0.0000 0.0000 34027.4238 -149292.4047 297.1700 -183319.8285 -149193.2438 298.9476 -92.0917 -55.4160 557350.2417 -6.0907 -6.0072 PRESSURE: 4640800 153.936 -25.5225 74.4904 -25.521 -2.31942 31.9538 74.4915 31.9563 105.803 GPRESSURE: 4640800 172.552 -129.97 151.909 88.5017 77.96 97.7942 17.5468 -58.8558 104.633 PRESSAVG: 4640800 15.653 27.6172 1.91515 27.6173 -75.2999 -19.4665 1.91515 -19.4666 18.2492 GPRESSAVG: 4640800 13.919 27.3851 1.79954 27.0819 -75.1192 -18.2054 2.62545 -19.4341 19.536 TIMING: 4640800 CPU: 13484.9, 0.00294321/step Wall: 13484.9, 0.00294321/step, 0.293667 hours remaining, 206.902344 MB of memory in use. ENERGY: 4640800 741.5270 2127.8142 1940.1099 112.5286 -206482.7160 17990.7205 0.0000 0.0000 34262.1606 -149307.8551 299.2200 -183570.0157 -149214.1287 299.2592 85.8065 118.3818 557748.3532 -13.7992 -13.8881 PRESSURE: 4641000 6.16458 -63.1497 -136.438 -63.1505 -91.7093 192.45 -136.438 192.449 259.094 GPRESSURE: 4641000 26.3659 -97.863 -161.148 12.2921 -27.0225 156.685 -116.599 100.434 265.265 PRESSAVG: 4641000 94.5808 -23.0763 -15.6236 -23.0764 10.2388 -20.2343 -15.6236 -20.2343 -46.6518 GPRESSAVG: 4641000 95.8198 -20.9919 -17.0705 -23.5697 8.74823 -20.7977 -13.9805 -21.4031 -46.4418 TIMING: 4641000 CPU: 13485.5, 0.00293991/step Wall: 13485.5, 0.00293991/step, 0.293175 hours remaining, 206.902344 MB of memory in use. ENERGY: 4641000 768.8848 2073.3603 1968.3042 115.8555 -206367.4190 18037.1065 0.0000 0.0000 34190.8382 -149213.0695 298.5971 -183403.9077 -149108.3025 299.1843 57.8497 88.2026 558659.2024 19.3892 19.3754 PRESSURE: 4641200 292.073 -63.9713 41.5527 -63.9703 232.251 -27.4945 41.5521 -27.4925 218.647 GPRESSURE: 4641200 316.772 12.7242 69.3023 -120.66 238.491 -14.5855 -58.9507 -58.9936 287.906 PRESSAVG: 4641200 10.6636 -59.1607 -35.8332 -59.1607 -33.8224 3.74192 -35.8331 3.74198 -19.549 GPRESSAVG: 4641200 12.0992 -60.0446 -35.6878 -58.3533 -34.9029 2.5456 -37.5677 6.10323 -19.8222 TIMING: 4641200 CPU: 13486.1, 0.00292124/step Wall: 13486.1, 0.00292124/step, 0.29115 hours remaining, 206.902344 MB of memory in use. ENERGY: 4641200 709.1914 2105.3875 1972.1459 112.8709 -206702.8422 18299.6684 0.0000 0.0000 34267.6036 -149235.9743 299.2675 -183503.5780 -149141.6869 299.4591 247.6569 281.0561 557522.1992 -14.2359 -14.2086 PRESSURE: 4641400 20.3672 57.6608 -105.589 57.6606 -48.7955 -55.0377 -105.588 -55.0388 12.2982 GPRESSURE: 4641400 25.7337 165.323 -138.106 53.0375 8.23781 -69.6889 -163.65 -42.2682 40.1184 PRESSAVG: 4641400 -49.5658 -53.0394 -8.71265 -53.0395 55.6861 -62.0318 -8.71259 -62.0319 -17.6133 GPRESSAVG: 4641400 -50.7897 -54.9018 -8.12297 -52.3182 55.852 -60.7797 -8.13815 -61.6115 -17.0304 TIMING: 4641400 CPU: 13486.7, 0.00293227/step Wall: 13486.7, 0.00293227/step, 0.292087 hours remaining, 206.902344 MB of memory in use. ENERGY: 4641400 714.1483 2129.2139 1952.7549 115.7756 -206478.1702 17961.4556 0.0000 0.0000 34384.3343 -149220.4876 300.2869 -183604.8219 -149127.6590 299.0785 -5.3767 24.6966 558722.4074 -3.8310 -3.9894 PRESSURE: 4641600 -204.114 -96.7951 16.0956 -96.7933 92.0464 120.838 16.0955 120.837 59.3727 GPRESSURE: 4641600 -157.497 -147.496 30.5064 -60.249 77.5267 49.6086 -4.89199 122.915 112.193 PRESSAVG: 4641600 27.0529 -11.1865 19.4465 -11.1866 -26.6384 113.094 19.4466 113.094 22.4262 GPRESSAVG: 4641600 27.4563 -9.91606 19.3146 -11.9661 -27.2841 109.631 18.591 113.692 22.6128 TIMING: 4641600 CPU: 13487.3, 0.0029294/step Wall: 13487.3, 0.0029294/step, 0.291639 hours remaining, 206.902344 MB of memory in use. ENERGY: 4641600 743.1366 2117.7515 1956.0999 110.3252 -206040.7328 17691.6349 0.0000 0.0000 34167.8033 -149253.9814 298.3959 -183421.7847 -149155.1909 299.5583 -17.5651 10.7408 558546.7470 7.6135 7.5950 PRESSURE: 4641800 -59.0017 -43.1712 8.93643 -43.1715 -111.503 37.0568 8.93565 37.0576 158.301 GPRESSURE: 4641800 -114.594 -40.815 -106.641 -137.772 -12.489 7.94722 58.0978 -46.5654 200.409 PRESSAVG: 4641800 -23.6923 -13.6063 23.3184 -13.6063 -1.37783 11.7669 23.3183 11.7671 30.2093 GPRESSAVG: 4641800 -24.2901 -13.4617 21.5812 -14.4587 -0.563124 15.9143 25.9173 9.96426 29.3638 TIMING: 4641800 CPU: 13487.8, 0.00291566/step Wall: 13487.8, 0.00291566/step, 0.290108 hours remaining, 206.902344 MB of memory in use. ENERGY: 4641800 774.3457 2115.9754 1954.4326 112.7399 -206339.3249 18028.8021 0.0000 0.0000 34124.7338 -149228.2954 298.0198 -183353.0293 -149132.2645 298.7532 -4.0676 24.4421 558932.1511 1.7131 1.5035 PRESSURE: 4642000 -33.6396 10.7656 142.151 10.7654 14.9145 95.9135 142.15 95.9134 -110.61 GPRESSURE: 4642000 -89.6177 147.313 70.5135 -6.40566 120.431 123.395 135.827 48.4662 -68.7025 PRESSAVG: 4642000 22.8643 32.8496 -10.025 32.8497 -97.5635 -10.988 -10.025 -10.988 67.6366 GPRESSAVG: 4642000 22.4642 32.4756 -9.23684 34.9644 -97.4618 -13.3049 -13.5061 -10.0593 67.4055 TIMING: 4642000 CPU: 13488.4, 0.00291865/step Wall: 13488.4, 0.00291865/step, 0.290243 hours remaining, 206.902344 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: 4642000 750.9632 2027.1846 1965.2170 111.3843 -206032.8186 17892.3804 0.0000 0.0000 34205.8417 -149079.8473 298.7281 -183285.6890 -148977.1664 299.5085 -43.1118 -12.6297 558709.0372 -2.3542 -2.5307 PRESSURE: 4642200 442.007 14.1726 -76.7116 14.1735 -78.4168 -162.136 -76.7107 -162.135 124.325 GPRESSURE: 4642200 436.547 -32.3473 -125.559 11.0925 -43.8372 -121.742 -48.8538 -177.203 199.568 PRESSAVG: 4642200 30.2549 55.8035 1.96257 55.8034 -59.8991 50.9354 1.96255 50.9353 5.08735 GPRESSAVG: 4642200 29.3103 53.9969 1.33794 55.3993 -60.6947 52.121 5.97752 49.0066 6.57761 TIMING: 4642200 CPU: 13489, 0.00293334/step Wall: 13489, 0.00293334/step, 0.291541 hours remaining, 206.902344 MB of memory in use. ENERGY: 4642200 721.3006 2086.3129 1969.0060 121.4788 -206207.9464 18013.5605 0.0000 0.0000 34310.0460 -148986.2417 299.6382 -183296.2877 -148888.1791 299.7230 162.6384 197.4260 558730.7523 -8.1856 -8.2689 PRESSURE: 4642400 19.7735 111.79 -75.4157 111.79 -29.7268 8.39791 -75.416 8.39568 -223.884 GPRESSURE: 4642400 -5.81744 117.909 -75.4659 112.04 26.8117 26.9245 -73.8355 -63.1904 -160.684 PRESSAVG: 4642400 6.74529 35.4965 -6.74909 35.4964 -27.7484 30.4331 -6.74911 30.4332 11.7897 GPRESSAVG: 4642400 6.24084 38.4006 -7.15728 34.2638 -25.4681 29.0877 -9.98378 31.6297 9.93303 TIMING: 4642400 CPU: 13489.6, 0.0029206/step Wall: 13489.6, 0.0029206/step, 0.290113 hours remaining, 207.105469 MB of memory in use. ENERGY: 4642400 773.3817 2091.5614 2007.0599 107.2869 -206169.9524 17965.5698 0.0000 0.0000 34358.5461 -148866.5466 300.0617 -183225.0927 -148774.7967 299.6862 -77.9458 -46.5631 559036.9594 -3.0711 -3.0981 PRESSURE: 4642600 -16.1565 82.2666 218.006 82.2665 71.1936 -121.031 218.006 -121.031 -152.945 GPRESSURE: 4642600 -24.9101 134.446 236.515 40.0663 89.837 -55.0556 251.674 -194.404 -53.6368 PRESSAVG: 4642600 20.4007 32.5854 3.31408 32.5855 -5.44847 -29.3414 3.31409 -29.3415 9.74259 GPRESSAVG: 4642600 21.5288 32.3632 2.37807 31.3454 -6.75756 -28.668 5.42778 -30.2063 10.1543 TIMING: 4642600 CPU: 13490.2, 0.00290585/step Wall: 13490.2, 0.00290585/step, 0.288486 hours remaining, 207.105469 MB of memory in use. ENERGY: 4642600 759.6874 2048.3398 1995.5864 111.8134 -205993.1641 17828.8628 0.0000 0.0000 34399.5725 -148849.3019 300.4200 -183248.8744 -148747.4287 300.6626 -32.6361 3.7634 558471.5366 8.2316 8.3085 PRESSURE: 4642800 147.415 70.809 64.5677 70.8092 -141.87 -35.4682 64.5676 -35.4681 46.2769 GPRESSURE: 4642800 216.101 139.415 60.0111 -4.80126 -132.738 9.86139 123.282 -39.56 68.3656 PRESSAVG: 4642800 68.2086 -21.0797 45.2578 -21.0798 -46.3792 -27.4887 45.2578 -27.4887 -0.921528 GPRESSAVG: 4642800 69.9547 -20.7243 47.0926 -19.2936 -46.642 -27.7064 44.4463 -25.9366 -2.40685 TIMING: 4642800 CPU: 13490.8, 0.00291391/step Wall: 13490.8, 0.00291391/step, 0.289125 hours remaining, 207.105469 MB of memory in use. ENERGY: 4642800 743.2436 2081.0646 1957.4216 117.0461 -206279.0016 17884.8121 0.0000 0.0000 34701.6356 -148793.7780 303.0580 -183495.4136 -148699.8550 301.0286 17.2738 50.5761 556749.7250 6.9693 6.9686 PRESSURE: 4643000 -109.581 44.9497 12.321 44.9484 67.9648 -70.6606 12.3215 -70.6614 74.7455 GPRESSURE: 4643000 -45.4268 -93.7679 45.8768 42.9381 77.3839 -115.563 26.952 52.9463 103.059 PRESSAVG: 4643000 70.019 1.79784 -19.601 1.79796 44.1924 -28.6682 -19.6009 -28.6682 -92.5512 GPRESSAVG: 4643000 67.4201 -0.27491 -19.0388 1.36674 45.4682 -30.1909 -20.1817 -26.6569 -91.036 TIMING: 4643000 CPU: 13491.3, 0.00291591/step Wall: 13491.3, 0.0029159/step, 0.289161 hours remaining, 207.105469 MB of memory in use. ENERGY: 4643000 755.6693 2142.9392 1985.7155 119.5780 -206057.7675 17735.5089 0.0000 0.0000 34436.0599 -148882.2966 300.7387 -183318.3565 -148779.6443 300.9336 11.0432 45.0054 555079.7944 7.2201 7.2841 PRESSURE: 4643200 74.3904 -51.2862 17.1952 -51.2843 9.80309 -90.491 17.1962 -90.4909 -193.731 GPRESSURE: 4643200 64.6684 -35.9672 -11.3071 -89.7171 61.4564 -157.727 67.7494 -68.4259 -146.94 PRESSAVG: 4643200 88.5446 11.774 10.147 11.774 -34.5728 10.9535 10.147 10.9536 -43.1805 GPRESSAVG: 4643200 90.4133 14.1393 11.5779 12.4654 -35.8444 13.9958 9.06306 8.65639 -42.9918 TIMING: 4643200 CPU: 13491.9, 0.00293052/step Wall: 13491.9, 0.00293052/step, 0.290447 hours remaining, 207.105469 MB of memory in use. ENERGY: 4643200 749.0503 2111.5977 1957.6650 116.2141 -206137.6721 17752.7811 0.0000 0.0000 34545.2091 -148905.1549 301.6919 -183450.3640 -148807.0485 300.5666 -36.5127 -6.9383 557146.6301 3.5971 3.8590 PRESSURE: 4643400 33.3824 64.5463 122.196 64.5477 -66.0358 8.73965 122.196 8.73885 -84.6819 GPRESSURE: 4643400 103.975 37.9129 119.654 109.332 -89.0134 21.7216 163.462 -99.952 -17.9651 PRESSAVG: 4643400 13.5028 -12.4084 -2.92376 -12.4084 67.3173 -1.46629 -2.92378 -1.46625 -38.7357 GPRESSAVG: 4643400 13.1821 -15.6138 -4.168 -11.5755 67.1696 -2.68189 -1.20263 -3.02126 -38.0535 TIMING: 4643400 CPU: 13492.5, 0.00292791/step Wall: 13492.5, 0.00292791/step, 0.290025 hours remaining, 207.105469 MB of memory in use. ENERGY: 4643400 722.9589 2143.5755 1986.0693 112.1356 -205931.3416 17780.6602 0.0000 0.0000 34411.8748 -148774.0672 300.5275 -183185.9419 -148674.6936 301.3767 -39.1118 -1.0013 557643.8572 14.0281 14.0994 PRESSURE: 4643600 122.043 117.594 156.703 117.595 -35.5315 -55.4666 156.704 -55.4641 -59.7374 GPRESSURE: 4643600 158.392 108.109 181.916 89.3217 -35.2438 42.1098 159.443 -107.345 5.2685 PRESSAVG: 4643600 64.4422 27.0595 -21.1147 27.0595 -7.53058 7.72265 -21.1147 7.72267 -9.90741 GPRESSAVG: 4643600 64.3007 30.0972 -22.5529 24.4617 -7.71409 9.59579 -21.7753 7.94816 -9.98803 TIMING: 4643600 CPU: 13493.1, 0.002908/step Wall: 13493.1, 0.002908/step, 0.287892 hours remaining, 207.105469 MB of memory in use. ENERGY: 4643600 744.8033 2059.2927 1996.1844 108.2688 -206091.1636 18016.1299 0.0000 0.0000 34436.6789 -148729.8057 300.7441 -183166.4846 -148635.3371 300.7977 8.9247 42.8056 560859.3167 15.6681 15.5328 PRESSURE: 4643800 -49.1458 32.8663 21.0947 32.8662 -186.892 0.378564 21.0948 0.378289 -142.649 GPRESSURE: 4643800 -12.5504 59.9424 -15.6443 -1.26591 -158.827 82.3477 68.7196 -72.3616 -114.655 PRESSAVG: 4643800 33.0801 -11.6861 -22.1129 -11.6861 -30.4083 -79.2195 -22.113 -79.2195 -34.7575 GPRESSAVG: 4643800 32.5159 -12.2382 -22.7245 -9.94789 -29.7639 -81.069 -19.8145 -78.6514 -34.5319 TIMING: 4643800 CPU: 13493.7, 0.00291536/step Wall: 13493.7, 0.00291536/step, 0.288459 hours remaining, 207.105469 MB of memory in use. ENERGY: 4643800 748.5129 2123.2758 1970.2415 124.9451 -205853.7523 17618.7542 0.0000 0.0000 34597.6766 -148670.3461 302.1501 -183268.0227 -148581.8744 300.2401 -126.2287 -95.3442 558579.1385 -10.6952 -10.5933 PRESSURE: 4644000 -63.4488 -61.1398 -135.896 -61.1397 -3.58476 -36.2143 -135.897 -36.2132 -99.7868 GPRESSURE: 4644000 -26.9453 32.0189 -141.647 -135.954 12.5644 -38.8548 -75.6663 -112.778 -38.3582 PRESSAVG: 4644000 2.86539 26.2296 18.3563 26.2296 -23.0481 -18.9318 18.3562 -18.9318 14.3233 GPRESSAVG: 4644000 3.46582 26.1282 19.9112 26.647 -22.1585 -21.7896 17.8825 -17.9986 13.545 TIMING: 4644000 CPU: 13494.3, 0.00292602/step Wall: 13494.3, 0.00292602/step, 0.28935 hours remaining, 207.117188 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: 4644000 746.2045 2041.5146 1965.5078 102.6151 -205940.6750 17812.3135 0.0000 0.0000 34430.3333 -148842.1862 300.6887 -183272.5195 -148739.8620 300.8133 -55.6068 -17.5797 558012.7107 -1.9531 -1.7159 PRESSURE: 4644200 173.591 3.6421 -134.21 3.64113 -126.473 -38.2378 -134.21 -38.2369 -145.732 GPRESSURE: 4644200 188.742 -8.89981 -82.6883 -11.7768 -89.1638 -30.1349 -212.785 -26.0173 -101.619 PRESSAVG: 4644200 42.9859 -23.679 -23.1214 -23.679 -1.47113 -21.8859 -23.1214 -21.8859 -30.2812 GPRESSAVG: 4644200 42.256 -25.4209 -23.2949 -23.0921 -1.44558 -21.0327 -25.8574 -19.3885 -29.5985 TIMING: 4644200 CPU: 13494.8, 0.00292464/step Wall: 13494.8, 0.00292464/step, 0.289052 hours remaining, 207.117188 MB of memory in use. ENERGY: 4644200 762.6478 2054.2797 1951.7034 118.8952 -205874.0859 17628.8629 0.0000 0.0000 34368.9854 -148988.7114 300.1529 -183357.6968 -148895.9377 300.4801 -32.8712 -0.6802 558874.9357 3.7445 3.7373 LDB: ============= START OF LOAD BALANCING ============== 13498.3 LDB: ============== END OF LOAD BALANCING =============== 13498.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13498.3 LDB: ============= START OF LOAD BALANCING ============== 13498.6 LDB: Largest compute 4848 load 0.031259 is 26.5% of average load 0.117869 LDB: Average compute 0.001720 is 1.5% of average load 0.117869 LDB: TIME 13498.6 LOAD: AVG 0.117869 MAX 0.185324 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.992 MB LDB: TIME 13498.6 LOAD: AVG 0.117869 MAX 0.185324 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: TIME 13498.6 LOAD: AVG 0.117869 MAX 0.185324 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.195 MB LDB: ============== END OF LOAD BALANCING =============== 13498.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13498.6 PRESSURE: 4644400 -59.6589 85.707 85.8867 85.7075 -58.8318 -48.5868 85.8859 -48.5861 35.9456 GPRESSURE: 4644400 -36.7615 -1.55944 70.7848 -28.745 -40.0295 -7.43017 46.0057 -104.099 90.5048 PRESSAVG: 4644400 14.127 8.69848 56.7901 8.69852 60.5766 -72.7929 56.7899 -72.7928 -68.403 GPRESSAVG: 4644400 14.8747 9.18444 56.7954 7.03377 60.1956 -71.718 56.801 -74.2137 -68.714 TIMING: 4644400 CPU: 13495.4, 0.00300384/step Wall: 13495.4, 0.00300384/step, 0.296713 hours remaining, 209.414062 MB of memory in use. ENERGY: 4644400 760.1351 2096.5532 1974.0345 130.7801 -206033.3068 17775.7216 0.0000 0.0000 34370.5539 -148925.5285 300.1666 -183296.0823 -148831.1345 299.9547 -27.5151 4.5712 558415.8128 2.1002 2.1188 PRESSURE: 4644600 -91.2157 -213.859 -137.38 -213.859 213.319 99.358 -137.38 99.3593 186.278 GPRESSURE: 4644600 -54.4981 -316.508 -27.8433 -90.9707 268.143 44.0579 -106.383 41.8858 202.151 PRESSAVG: 4644600 -52.7314 -25.5509 3.69479 -25.5509 53.0858 52.0092 3.69483 52.0091 -10.361 GPRESSAVG: 4644600 -52.2733 -26.5728 5.76215 -23.6749 52.2669 51.5834 4.19393 51.31 -9.85362 TIMING: 4644600 CPU: 13496, 0.00293412/step Wall: 13496, 0.00293412/step, 0.289663 hours remaining, 209.414062 MB of memory in use. ENERGY: 4644600 752.9028 2066.3779 1932.7533 103.4698 -205847.4028 17761.0802 0.0000 0.0000 34291.3932 -148939.4255 299.4753 -183230.8187 -148840.6105 299.3623 102.7937 138.5986 557951.0913 -3.3355 -3.2867 PRESSURE: 4644800 -125.128 -202.035 -79.1638 -202.035 45.2408 -138.098 -79.164 -138.098 -178.197 GPRESSURE: 4644800 -136.04 -205.306 -76.3603 -201.654 55.0095 -65.6285 -68.309 -162.604 -76.4056 PRESSAVG: 4644800 77.9478 -14.5047 -42.0706 -14.5046 23.3391 -2.32924 -42.0707 -2.32922 -80.2502 GPRESSAVG: 4644800 77.9905 -12.1232 -45.0653 -15.3804 21.4071 -2.11072 -41.7616 0.203618 -78.6103 TIMING: 4644800 CPU: 13496.6, 0.0029552/step Wall: 13496.6, 0.0029552/step, 0.29158 hours remaining, 209.414062 MB of memory in use. ENERGY: 4644800 752.0898 2114.9675 1961.7886 121.3958 -206038.9690 17769.6776 0.0000 0.0000 34256.4753 -149062.5743 299.1703 -183319.0496 -148970.5665 299.7074 -86.0278 -52.4788 557620.8646 7.0122 6.9291 PRESSURE: 4645000 173.673 10.8486 -54.2885 10.8491 191.613 102.936 -54.2883 102.938 91.9751 GPRESSURE: 4645000 229.656 2.17268 51.607 -21.8681 212.113 177.027 -54.9433 16.7747 114.131 PRESSAVG: 4645000 -18.0604 15.4127 -30.42 15.4128 82.9645 -28.7538 -30.42 -28.7537 -21.3364 GPRESSAVG: 4645000 -18.5932 14.1545 -31.4067 16.8706 84.5262 -28.2399 -30.2202 -32.3181 -22.538 TIMING: 4645000 CPU: 13497.2, 0.002962/step Wall: 13497.2, 0.002962/step, 0.292086 hours remaining, 209.414062 MB of memory in use. ENERGY: 4645000 709.7858 2118.5128 1955.4464 116.3904 -206226.1862 17905.7195 0.0000 0.0000 34222.6344 -149197.6968 298.8748 -183420.3312 -149092.9020 299.0868 152.4206 185.2999 556333.9713 14.5226 14.4650 PRESSURE: 4645200 -105.396 45.3204 38.678 45.3203 86.6747 52.2156 38.6781 52.2149 55.5162 GPRESSURE: 4645200 -21.7229 25.399 -25.5522 75.786 82.7192 49.1539 28.7747 22.6755 75.5201 PRESSAVG: 4645200 -32.4577 22.3837 -11.8434 22.3836 -20.2764 -13.3532 -11.8434 -13.353 48.1108 GPRESSAVG: 4645200 -32.584 24.142 -11.1744 22.2088 -20.2503 -14.3959 -11.6364 -13.1813 48.5216 TIMING: 4645200 CPU: 13497.8, 0.00294693/step Wall: 13497.8, 0.00294693/step, 0.290436 hours remaining, 209.414062 MB of memory in use. ENERGY: 4645200 744.7765 2082.2793 1960.2713 97.8534 -206133.1518 17708.1211 0.0000 0.0000 34383.1601 -149156.6901 300.2767 -183539.8502 -149061.8650 299.3787 12.2650 45.5055 556036.6583 -1.5411 -1.4376 PRESSURE: 4645400 165.121 -71.2856 25.1257 -71.2859 -321.485 226.769 25.1267 226.77 -2.26942 GPRESSURE: 4645400 87.1117 -28.5658 55.9499 -5.3286 -204.773 219.561 -27.7297 237.623 65.5211 PRESSAVG: 4645400 -31.6418 65.1444 -8.23203 65.1445 -30.5587 35.8582 -8.23204 35.8583 106.425 GPRESSAVG: 4645400 -31.2085 62.6553 -7.86822 65.3296 -31.6768 34.8805 -8.96736 36.8912 107.778 TIMING: 4645400 CPU: 13498.4, 0.00294647/step Wall: 13498.4, 0.00294647/step, 0.290227 hours remaining, 209.414062 MB of memory in use. ENERGY: 4645400 730.0722 2037.2085 1990.1092 112.3207 -205723.8933 17529.4661 0.0000 0.0000 34105.8505 -149218.8660 297.8549 -183324.7166 -149121.5229 298.2224 -52.8777 -17.3801 556570.1104 14.7413 14.9641 PRESSURE: 4645600 -135.058 155.832 -15.9238 155.832 -51.4366 39.1016 -15.9244 39.1021 141.795 GPRESSURE: 4645600 -82.7791 137.006 -43.6113 156.981 -58.3242 51.305 -20.1778 77.6135 209.387 PRESSAVG: 4645600 44.0997 34.9963 22.853 34.9964 -83.8594 9.46974 22.8529 9.46969 59.4321 GPRESSAVG: 4645600 43.8413 34.8132 22.5897 34.1718 -82.8738 9.53737 21.9035 9.57428 58.4595 TIMING: 4645600 CPU: 13499, 0.00294741/step Wall: 13499, 0.00294741/step, 0.290156 hours remaining, 209.414062 MB of memory in use. ENERGY: 4645600 728.8680 2066.8194 1953.6123 101.8608 -206146.4323 17830.3540 0.0000 0.0000 34369.7959 -149095.1219 300.1600 -183464.9178 -148994.5724 298.6718 -14.8998 22.7614 556077.9893 6.5575 6.4756 PRESSURE: 4645800 -60.4583 3.18628 -152.571 3.18622 -198.49 20.9923 -152.571 20.9939 -21.7962 GPRESSURE: 4645800 46.1629 30.2857 -187.653 -2.86162 -212.452 -22.0315 -48.0149 32.192 -9.51796 PRESSAVG: 4645800 33.0895 27.107 -27.2756 27.107 30.8393 18.4119 -27.2756 18.4117 -93.2557 GPRESSAVG: 4645800 32.5637 27.1561 -26.7028 27.2365 30.3053 18.7412 -25.8939 17.8645 -92.3203 TIMING: 4645800 CPU: 13499.6, 0.00293664/step Wall: 13499.6, 0.00293664/step, 0.288932 hours remaining, 209.414062 MB of memory in use. ENERGY: 4645800 748.5664 2073.2428 1962.0975 105.0825 -206152.7418 17736.5292 0.0000 0.0000 34272.2805 -149254.9429 299.3084 -183527.2234 -149160.1048 299.2447 -93.5816 -58.6022 557053.4242 -9.7757 -9.8171 PRESSURE: 4646000 -163.629 91.9345 227.084 91.9344 -187.599 16.1201 227.084 16.1204 17.3201 GPRESSURE: 4646000 -170.542 149.99 196.255 75.9574 -125.293 109.805 152.998 27.4635 35.8545 PRESSAVG: 4646000 29.9818 20.9851 5.10553 20.985 -10.8841 -52.4721 5.10551 -52.4721 28.7519 GPRESSAVG: 4646000 30.1389 22.4571 5.92549 19.9869 -10.4689 -51.4443 2.86559 -52.18 28.2183 TIMING: 4646000 CPU: 13500.2, 0.00293213/step Wall: 13500.2, 0.00293213/step, 0.288326 hours remaining, 209.414062 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: 4646000 787.7910 2079.7341 1967.9643 113.2448 -206293.3929 17922.4002 0.0000 0.0000 34348.9748 -149073.2839 299.9781 -183422.2586 -148985.6551 299.5107 -111.3029 -86.6602 558092.7912 15.9498 15.9628 PRESSURE: 4646200 188.459 -19.8125 45.8177 -19.8132 -327.217 -15.1519 45.8176 -15.1521 59.1241 GPRESSURE: 4646200 231.749 51.8141 -99.3503 -105.71 -256.701 18.4903 116.754 -50.0024 34.1865 PRESSAVG: 4646200 48.5591 20.3469 1.25249 20.3469 -41.0081 18.9139 1.25248 18.9139 -16.4295 GPRESSAVG: 4646200 49.33 19.4658 1.42384 21.5237 -41.0373 17.2735 3.02645 19.5262 -16.5656 TIMING: 4646200 CPU: 13500.8, 0.00294575/step Wall: 13500.8, 0.00294575/step, 0.289501 hours remaining, 209.414062 MB of memory in use. ENERGY: 4646200 723.5548 2068.4222 1953.2540 123.9276 -205926.6916 17705.6008 0.0000 0.0000 34368.0417 -148983.8904 300.1447 -183351.9322 -148888.4559 299.8835 -26.5446 3.0781 557617.0958 -2.9595 -2.7576 PRESSURE: 4646400 -148.031 -10.9353 -36.7967 -10.9351 343.364 114.77 -36.7966 114.771 -84.0536 GPRESSURE: 4646400 -65.7056 -44.3792 -149.21 37.9112 325.335 200.385 24.771 38.1412 -62.8606 PRESSAVG: 4646400 -37.1541 -24.1653 43.1137 -24.1652 9.7939 -9.98508 43.1137 -9.98495 -17.1668 GPRESSAVG: 4646400 -36.9093 -26.1142 42.1147 -22.942 9.02579 -9.11345 42.5529 -9.87479 -16.8253 TIMING: 4646400 CPU: 13501.3, 0.00295734/step Wall: 13501.3, 0.00295734/step, 0.290476 hours remaining, 209.414062 MB of memory in use. ENERGY: 4646400 718.3540 2098.6060 1941.1988 115.0771 -205928.9781 17637.8476 0.0000 0.0000 34310.6352 -149107.2594 299.6433 -183417.8946 -149006.4184 299.2412 37.0930 65.5897 557069.3080 -14.8423 -14.9030 PRESSURE: 4646600 -90.6278 81.0331 -63.3177 81.0335 -80.0258 -93.4525 -63.3198 -93.4505 -87.3753 GPRESSURE: 4646600 -71.9811 112.526 -4.64483 105.479 -41.9257 -90.9654 -76.4556 -24.6465 -45.8865 PRESSAVG: 4646600 -25.4423 -4.7075 3.603 -4.70737 -6.67894 -36.1143 3.60296 -36.1144 25.4536 GPRESSAVG: 4646600 -25.3116 -2.71396 3.19236 -5.42625 -6.48814 -37.6273 2.58222 -36.9476 25.0324 TIMING: 4646600 CPU: 13501.9, 0.0029184/step Wall: 13501.9, 0.0029184/step, 0.28649 hours remaining, 209.484375 MB of memory in use. ENERGY: 4646600 746.7632 2114.2838 1993.3423 114.6901 -206172.1687 17683.7195 0.0000 0.0000 34292.2069 -149227.1629 299.4824 -183519.3698 -149125.4528 299.4256 -86.0096 -53.2644 557029.1866 -2.2225 -2.2558 PRESSURE: 4646800 -97.1973 -17.7106 -32.4686 -17.7099 -155.526 -116.433 -32.4682 -116.432 -16.4966 GPRESSURE: 4646800 -42.1882 -6.58958 -26.0531 -85.905 -115.207 -138.447 -34.4936 -57.2173 -15.262 PRESSAVG: 4646800 14.4677 52.6521 -32.7148 52.6521 -70.518 -62.5683 -32.7147 -62.5685 81.4588 GPRESSAVG: 4646800 12.6793 52.3091 -33.7728 53.3505 -69.7026 -62.3121 -29.8876 -62.6036 82.3873 TIMING: 4646800 CPU: 13502.5, 0.00291456/step Wall: 13502.5, 0.00291456/step, 0.285951 hours remaining, 209.484375 MB of memory in use. ENERGY: 4646800 726.8892 2098.4710 1998.4209 110.6906 -205831.9803 17532.9913 0.0000 0.0000 34117.5926 -149246.9247 297.9574 -183364.5174 -149152.9091 298.8598 -89.7401 -57.5524 557042.8923 8.4695 8.4546 PRESSURE: 4647000 -246.296 74.4491 69.87 74.4491 -81.927 -97.6881 69.869 -97.6878 7.81005 GPRESSURE: 4647000 -142.17 119.658 78.3397 -35.0016 -124.671 -125.111 26.3948 -145.408 46.9397 PRESSAVG: 4647000 33.0126 88.8738 29.09 88.8738 33.4659 -18.9586 29.09 -18.9585 16.6199 GPRESSAVG: 4647000 34.1493 87.6111 30.6847 88.0803 32.324 -16.7506 28.0473 -17.5705 16.6085 TIMING: 4647000 CPU: 13503.1, 0.00290546/step Wall: 13503.1, 0.00290546/step, 0.284897 hours remaining, 209.484375 MB of memory in use. ENERGY: 4647000 775.4273 2112.6051 1977.0360 114.1057 -206290.9631 17849.4716 0.0000 0.0000 34158.1365 -149304.1809 298.3115 -183462.3175 -149209.3540 299.3417 -106.8042 -73.3007 557705.6862 27.6995 27.6939 PRESSURE: 4647200 34.8431 225.461 -25.6065 225.462 32.1658 -56.5813 -25.6066 -56.5817 -120.921 GPRESSURE: 4647200 27.6152 156.804 12.1533 277.51 67.8526 -50.5093 15.9302 -36.1412 -58.7095 PRESSAVG: 4647200 -1.7354 87.4236 0.177389 87.4235 88.1687 3.69421 0.1775 3.6943 -37.6552 GPRESSAVG: 4647200 -1.682 90.0155 0.0758483 88.6144 87.9047 2.10112 1.43937 2.51925 -36.9516 TIMING: 4647200 CPU: 13503.7, 0.00289844/step Wall: 13503.7, 0.00289844/step, 0.284047 hours remaining, 209.484375 MB of memory in use. ENERGY: 4647200 777.8338 2035.2258 1981.5779 122.6150 -206405.2085 17726.6328 0.0000 0.0000 34245.8525 -149515.4707 299.0775 -183761.3232 -149419.0583 299.1082 -17.9708 12.2528 557386.9166 16.2594 16.4237 PRESSURE: 4647400 -82.3386 50.7438 51.0901 50.7434 -2.18586 -28.7314 51.0899 -28.7314 14.2316 GPRESSURE: 4647400 -94.1421 94.5823 33.0021 88.112 13.6784 10.4631 27.1851 -72.7425 108.076 PRESSAVG: 4647400 0.620424 55.9883 42.9467 55.9884 38.1648 -36.4621 42.9467 -36.4622 -2.88255 GPRESSAVG: 4647400 1.17931 55.7299 44.2864 55.1649 38.7867 -36.9799 41.4015 -37.1499 -4.78939 TIMING: 4647400 CPU: 13504.2, 0.00289718/step Wall: 13504.2, 0.00289718/step, 0.283763 hours remaining, 209.484375 MB of memory in use. ENERGY: 4647400 751.6120 2097.7901 1954.0014 99.4442 -206345.6560 17838.8993 0.0000 0.0000 34073.0921 -149530.8169 297.5688 -183603.9090 -149440.2438 298.4854 -23.4309 9.2041 556976.7268 11.9676 11.7255 PRESSURE: 4647600 34.5839 37.0675 -3.6609 37.0691 -127.455 69.2024 -3.661 69.2031 123.413 GPRESSURE: 4647600 64.5064 68.8845 -12.7623 34.4233 -104.054 60.9741 -45.4913 17.669 159.098 PRESSAVG: 4647600 13.3432 3.31386 -91.477 3.31393 -25.1982 -35.0114 -91.477 -35.0114 2.25152 GPRESSAVG: 4647600 14.0288 2.7414 -91.5182 4.18339 -26.3638 -34.3597 -92.4854 -35.1528 2.10358 TIMING: 4647600 CPU: 13504.8, 0.00292723/step Wall: 13504.8, 0.00292722/step, 0.286543 hours remaining, 209.484375 MB of memory in use. ENERGY: 4647600 799.2141 2062.9291 1970.8482 110.4918 -206592.8017 17989.3435 0.0000 0.0000 34291.2178 -149368.7572 299.4737 -183659.9751 -149269.3273 298.7940 10.1808 39.8503 555705.6487 -3.2011 -3.4104 PRESSURE: 4647800 -69.4107 -199.859 -94.1728 -199.858 -116.751 31.078 -94.1743 31.0772 63.8548 GPRESSURE: 4647800 -53.5017 -170.094 -63.8194 -186.076 -70.3116 -17.7377 -89.7125 103.17 109.883 PRESSAVG: 4647800 -10.7402 6.07949 -13.513 6.07952 -1.37914 8.48498 -13.5129 8.48489 -13.7729 GPRESSAVG: 4647800 -10.3519 5.13722 -14.5171 4.27713 -1.36919 7.62128 -12.3722 10.6788 -13.8776 TIMING: 4647800 CPU: 13505.4, 0.00292604/step Wall: 13505.4, 0.00292604/step, 0.286264 hours remaining, 209.687500 MB of memory in use. ENERGY: 4647800 732.7669 2069.8458 1983.4820 119.0227 -206105.4573 17653.3555 0.0000 0.0000 34215.4818 -149331.5026 298.8123 -183546.9844 -149238.1323 298.9461 -40.7690 -4.6436 556037.2038 -8.6307 -8.5329 PRESSURE: 4648000 68.5459 -47.2643 -236.287 -47.2636 47.608 91.7289 -236.289 91.7288 -27.2864 GPRESSURE: 4648000 149.23 -53.2055 -321.662 -49.9846 68.3656 52.2283 -183.83 62.9977 -26.1812 PRESSAVG: 4648000 40.4102 -45.7033 -23.6527 -45.7033 -10.6296 24.7373 -23.6528 24.7371 -50.8463 GPRESSAVG: 4648000 39.9627 -43.6671 -24.5477 -44.2955 -10.9959 26.1201 -24.1191 22.778 -50.1238 TIMING: 4648000 CPU: 13506, 0.0029302/step Wall: 13506, 0.0029302/step, 0.286508 hours remaining, 209.687500 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: 4648000 748.2535 2079.7736 1985.6642 116.0937 -205883.7367 17618.1726 0.0000 0.0000 34128.5831 -149207.1960 298.0534 -183335.7790 -149106.9429 298.7792 29.6225 63.8049 556526.7704 -7.0219 -7.0523 PRESSURE: 4648200 -51.8527 -86.8882 -17.167 -86.8875 -165.999 -130.478 -17.1666 -130.481 -372.086 GPRESSURE: 4648200 -111.284 -49.9472 -19.1465 -103.071 -87.1962 -167.533 11.18 -32.2477 -274.694 PRESSAVG: 4648200 -52.8729 -14.9721 -49.7347 -14.972 78.9909 24.4503 -49.7346 24.4503 -19.3244 GPRESSAVG: 4648200 -54.0079 -14.3402 -47.4346 -15.6341 80.4108 23.6605 -48.8384 25.0588 -19.4731 TIMING: 4648200 CPU: 13506.6, 0.00292819/step Wall: 13506.6, 0.00292819/step, 0.286149 hours remaining, 209.687500 MB of memory in use. ENERGY: 4648200 738.2446 2060.4957 1961.1617 107.8447 -206039.0458 17656.5843 0.0000 0.0000 34459.4800 -149055.2348 300.9432 -183514.7147 -148956.5253 299.3696 -196.6458 -157.7246 557193.8180 2.2645 2.3099 LDB: ============= START OF LOAD BALANCING ============== 13510.1 LDB: ============== END OF LOAD BALANCING =============== 13510.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13510.1 LDB: ============= START OF LOAD BALANCING ============== 13510.3 LDB: Largest compute 4848 load 0.030818 is 26.1% of average load 0.117902 LDB: Average compute 0.001726 is 1.5% of average load 0.117902 LDB: TIME 13510.3 LOAD: AVG 0.117902 MAX 0.18566 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 13510.3 LOAD: AVG 0.117902 MAX 0.18566 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: TIME 13510.3 LOAD: AVG 0.117902 MAX 0.18566 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.781 MB LDB: ============== END OF LOAD BALANCING =============== 13510.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13510.4 PRESSURE: 4648400 -57.3748 -140.312 -111.169 -140.311 0.674915 29.3527 -111.169 29.3519 61.6773 GPRESSURE: 4648400 -53.5155 -187.629 -60.135 -155.124 19.3765 124.891 -90.54 -50.9652 131.881 PRESSAVG: 4648400 -37.8669 -13.5446 11.7587 -13.5446 13.1266 -54.1375 11.7586 -54.1374 33.0222 GPRESSAVG: 4648400 -37.3693 -14.6915 11.1844 -14.4974 11.9543 -53.9538 10.2229 -54.3331 33.6254 TIMING: 4648400 CPU: 13507.2, 0.00294481/step Wall: 13507.2, 0.00294481/step, 0.28761 hours remaining, 205.628906 MB of memory in use. ENERGY: 4648400 707.6510 2036.3522 1970.5848 107.7476 -206114.8943 17754.5255 0.0000 0.0000 34265.0597 -149272.9735 299.2453 -183538.0331 -149173.8934 299.1884 1.6591 32.5808 556695.7049 2.7606 2.7368 PRESSURE: 4648600 -71.0301 14.7153 102.715 14.7145 -177.82 -41.6394 102.715 -41.6384 162.869 GPRESSURE: 4648600 15.7477 96.3563 78.2113 -16.813 -163.684 -94.7581 42.4889 -33.1441 158.375 PRESSAVG: 4648600 -15.6564 -34.4104 -49.4399 -34.4105 -19.5236 -25.9327 -49.4399 -25.9329 27.7604 GPRESSAVG: 4648600 -15.0581 -34.3738 -49.6583 -32.207 -18.9489 -25.4585 -49.0121 -26.3395 26.8727 TIMING: 4648600 CPU: 13507.8, 0.00290123/step Wall: 13507.8, 0.00290123/step, 0.283192 hours remaining, 205.871094 MB of memory in use. ENERGY: 4648600 749.2231 2100.9851 1987.0309 113.7687 -205926.0680 17592.3985 0.0000 0.0000 34036.9481 -149345.7136 297.2531 -183382.6617 -149244.9058 299.0506 -28.6606 3.4794 556885.3922 -2.4732 -2.3781 PRESSURE: 4648800 177.295 9.39288 -24.0729 9.39344 89.3475 -119.867 -24.0712 -119.865 103.629 GPRESSURE: 4648800 205.016 -70.8542 93.5144 136.118 117.778 -142.981 -106.269 -58.8327 141.859 PRESSAVG: 4648800 -14.6487 9.98631 25.0278 9.98625 31.8246 13.8249 25.0279 13.8249 -10.6543 GPRESSAVG: 4648800 -14.8328 8.78926 24.334 10.4899 31.0264 14.8935 25.7936 13.0921 -9.46551 TIMING: 4648800 CPU: 13508.3, 0.00292667/step Wall: 13508.3, 0.00292667/step, 0.285513 hours remaining, 205.871094 MB of memory in use. ENERGY: 4648800 753.3165 2052.8571 1978.0414 114.3876 -206491.1707 18107.2466 0.0000 0.0000 34186.3886 -149298.9329 298.5582 -183485.3215 -149203.9482 298.8384 123.4237 154.8845 558954.5959 2.1739 2.2427 PRESSURE: 4649000 -85.5702 -24.7185 8.39683 -24.7198 107.982 -84.2952 8.39635 -84.2963 -71.7496 GPRESSURE: 4649000 -36.0046 24.9373 -66.1649 42.5953 176.146 -59.6917 1.25323 -106.486 -92.0173 PRESSAVG: 4649000 50.085 10.5911 -41.9947 10.5911 -42.9518 37.203 -41.9945 37.2029 19.863 GPRESSAVG: 4649000 49.9878 13.1118 -40.2143 8.90237 -41.4302 35.8455 -43.1055 39.6485 19.1563 TIMING: 4649000 CPU: 13508.9, 0.00292663/step Wall: 13508.9, 0.00292663/step, 0.285346 hours remaining, 205.871094 MB of memory in use. ENERGY: 4649000 727.1582 2059.3250 1979.6280 113.2663 -206439.8631 17978.5882 0.0000 0.0000 34380.2226 -149201.6748 300.2510 -183581.8974 -149103.0577 299.6906 -16.4460 16.0414 557495.4255 8.9987 9.2380 PRESSURE: 4649200 -109.814 199.241 -130.071 199.24 -119.241 -80.1603 -130.07 -80.1595 -236.986 GPRESSURE: 4649200 -127.705 210.889 -80.7277 190.404 -117.66 -55.8625 -135.605 -16.5451 -123.713 PRESSAVG: 4649200 69.7812 -26.3847 -10.9727 -26.3847 -100.427 -45.9928 -10.9725 -45.9929 -1.54617 GPRESSAVG: 4649200 69.9666 -28.7023 -10.453 -25.1242 -101.97 -46.1096 -11.9336 -46.1847 -0.424645 TIMING: 4649200 CPU: 13509.5, 0.00291984/step Wall: 13509.5, 0.00291984/step, 0.284522 hours remaining, 205.871094 MB of memory in use. ENERGY: 4649200 735.1672 2103.6500 1960.0240 102.1712 -205740.6462 17482.1933 0.0000 0.0000 34228.5903 -149128.8502 298.9268 -183357.4404 -149025.0221 299.4071 -155.3471 -123.0260 558650.3193 -10.7306 -10.8094 PRESSURE: 4649400 108.343 -15.8766 -68.6161 -15.877 48.9791 -18.5827 -68.6166 -18.5818 96.6599 GPRESSURE: 4649400 181.944 -24.9628 -108.965 49.1047 82.8925 -40.5789 -46.7967 -53.7984 76.5629 PRESSAVG: 4649400 24.1757 -18.9596 38.8284 -18.9595 -45.7795 3.45101 38.8286 3.45105 28.2868 GPRESSAVG: 4649400 22.9953 -20.1022 38.3522 -17.9189 -45.2823 5.26154 38.5723 2.24745 28.7318 TIMING: 4649400 CPU: 13510.1, 0.00292003/step Wall: 13510.1, 0.00292003/step, 0.284379 hours remaining, 205.871094 MB of memory in use. ENERGY: 4649400 712.6106 2078.0388 1950.8851 114.7189 -206277.9049 17914.2048 0.0000 0.0000 34446.5787 -149060.8680 300.8305 -183507.4467 -148962.2651 299.6586 84.6607 113.7998 558057.1406 2.2277 2.1483 PRESSURE: 4649600 60.8754 -28.809 -19.9628 -28.8077 -71.0733 51.3449 -19.9627 51.3432 20.4863 GPRESSURE: 4649600 99.5994 -92.4697 26.5609 -27.9139 -37.1917 49.0981 34.6825 63.2362 53.4052 PRESSAVG: 4649600 -12.8565 15.3099 -1.34183 15.3099 12.9147 -81.3402 -1.34177 -81.3402 18.0962 GPRESSAVG: 4649600 -13.1083 15.1942 -3.05595 15.2147 13.2732 -81.6845 0.428645 -82.1136 17.447 TIMING: 4649600 CPU: 13510.7, 0.0029079/step Wall: 13510.7, 0.0029079/step, 0.283035 hours remaining, 205.871094 MB of memory in use. ENERGY: 4649600 738.2878 2071.7040 1976.9805 98.4768 -206102.8080 17873.1281 0.0000 0.0000 34222.9535 -149121.2773 298.8776 -183344.2308 -149022.3374 299.0348 3.4295 38.6043 558708.9043 6.0514 5.8706 PRESSURE: 4649800 -145.667 -83.8242 -48.9306 -83.8253 -86.43 17.2124 -48.9313 17.2113 57.2549 GPRESSURE: 4649800 -158.769 25.4976 -20.2321 -125.377 -31.7004 25.5378 -86.3571 32.2623 113.291 PRESSAVG: 4649800 -43.7703 8.9457 -48.687 8.94573 -25.0318 -15.8095 -48.687 -15.8095 49.6654 GPRESSAVG: 4649800 -42.6271 10.1401 -45.3236 7.98571 -25.598 -17.4541 -51.7119 -13.7306 49.1367 TIMING: 4649800 CPU: 13511.3, 0.00290235/step Wall: 13511.3, 0.00290235/step, 0.282334 hours remaining, 205.871094 MB of memory in use. ENERGY: 4649800 766.7680 2049.7897 1963.9082 103.0539 -206106.3797 17916.6470 0.0000 0.0000 34073.0076 -149233.2052 297.5680 -183306.2128 -149141.4350 298.8744 -58.2808 -25.7261 559613.9406 -6.3789 -6.3628 PRESSURE: 4650000 -181.209 169.994 -131.837 169.994 188.611 -0.0888154 -131.837 -0.0898217 199.047 GPRESSURE: 4650000 -107.677 174.675 -112.741 112.445 247.072 16.21 -159.514 25.8641 173.404 PRESSAVG: 4650000 -62.6628 9.204 -21.9353 9.20398 0.46298 -19.1219 -21.9353 -19.1218 46.2846 GPRESSAVG: 4650000 -63.1987 8.71798 -24.6972 6.98804 1.1843 -18.4568 -18.0518 -19.5057 46.2124 TIMING: 4650000 CPU: 13511.8, 0.00290151/step Wall: 13511.8, 0.00290151/step, 0.282091 hours remaining, 205.871094 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: 4650000 701.8607 2035.4588 1946.6506 114.1939 -206123.6925 17782.6174 0.0000 0.0000 34380.1815 -149162.7296 300.2507 -183542.9111 -149060.6931 299.9111 68.8161 104.2664 558374.1390 -5.3051 -5.2673 PRESSURE: 4650200 -304.281 45.9122 184.179 45.9122 -223.177 95.2752 184.181 95.2756 -59.2075 GPRESSURE: 4650200 -278.888 -35.86 87.3379 -6.69862 -191.989 32.3566 195.586 128.891 -26.4792 PRESSAVG: 4650200 -28.0548 -38.8245 -25.4652 -38.8245 -5.91133 6.80877 -25.4652 6.80874 29.0194 GPRESSAVG: 4650200 -27.7535 -38.9641 -24.8843 -38.2584 -6.82501 7.37626 -27.956 5.32091 29.0706 TIMING: 4650200 CPU: 13512.4, 0.0029239/step Wall: 13512.4, 0.0029239/step, 0.284106 hours remaining, 205.871094 MB of memory in use. ENERGY: 4650200 701.7000 2098.4748 1970.6690 116.7115 -205472.9671 17360.7716 0.0000 0.0000 34205.7509 -149018.8893 298.7273 -183224.6402 -148917.1593 299.4992 -195.5551 -165.7854 559690.1686 -1.6489 -1.8360 PRESSURE: 4650400 18.2243 11.6091 -88.4952 11.6091 46.6395 22.2966 -88.4941 22.2957 7.4845 GPRESSURE: 4650400 68.9055 -0.679103 -107.175 90.8176 40.0281 32.4873 12.2615 3.18147 68.9938 PRESSAVG: 4650400 -85.168 -33.2727 -35.473 -33.2728 14.9235 36.245 -35.4731 36.2451 17.1682 GPRESSAVG: 4650400 -86.2216 -33.171 -35.635 -32.4946 15.6651 34.9241 -34.7813 37.3046 16.868 TIMING: 4650400 CPU: 13513, 0.00292731/step Wall: 13513, 0.00292731/step, 0.284275 hours remaining, 205.871094 MB of memory in use. ENERGY: 4650400 765.2619 2081.8046 1968.2546 116.2737 -206196.5221 18029.5322 0.0000 0.0000 34204.7505 -149030.6446 298.7186 -183235.3951 -148932.5878 299.6055 24.1161 59.3091 559670.6766 -17.6921 -17.8962 PRESSURE: 4650600 -291.467 -23.3787 63.3523 -23.3788 -68.1732 10.3097 63.3517 10.3071 166.505 GPRESSURE: 4650600 -272.138 -47.4182 15.9603 -26.866 11.0901 7.06355 62.1843 -24.6961 159.276 PRESSAVG: 4650600 -25.4793 29.2455 16.0734 29.2455 15.3633 -12.6493 16.0735 -12.6494 -7.95212 GPRESSAVG: 4650600 -25.1555 29.9709 16.7919 30.1531 15.0746 -12.0227 16.8075 -12.036 -7.99656 TIMING: 4650600 CPU: 13513.6, 0.00291688/step Wall: 13513.6, 0.00291688/step, 0.2831 hours remaining, 205.871094 MB of memory in use. ENERGY: 4650600 724.6094 2049.6066 1971.2612 121.9043 -206396.0508 17910.7758 0.0000 0.0000 34409.7301 -149208.1633 300.5087 -183617.8935 -149104.7853 298.9753 -64.3786 -33.9240 558843.5749 -6.0227 -6.0258 PRESSURE: 4650800 154.023 63.3192 61.187 63.3206 -71.4927 86.2922 61.187 86.2931 29.4221 GPRESSURE: 4650800 139.262 49.7763 70.4758 13.6986 -61.5836 -6.1235 63.6091 137.544 120.936 PRESSAVG: 4650800 -35.2185 34.8814 5.54981 34.8815 -25.0959 -7.62348 5.54982 -7.62341 57.1484 GPRESSAVG: 4650800 -35.1443 34.1468 4.89618 33.3598 -27.0213 -7.54477 5.78789 -8.51057 58.5655 TIMING: 4650800 CPU: 13514.2, 0.00293064/step Wall: 13514.2, 0.00293064/step, 0.284272 hours remaining, 206.171875 MB of memory in use. ENERGY: 4650800 728.5724 2086.2298 1960.9450 116.7153 -205969.4451 17781.6964 0.0000 0.0000 34231.8169 -149063.4693 298.9550 -183295.2862 -148971.8659 299.5339 37.3173 66.2047 557087.2942 -1.0553 -1.2000 PRESSURE: 4651000 -322.282 110.425 -95.4686 110.424 63.8995 54.7013 -95.4681 54.7008 -253.685 GPRESSURE: 4651000 -325.284 175.485 -31.4234 51.0011 94.433 94.5196 -136.366 125.99 -191.247 PRESSAVG: 4651000 -47.2253 -27.0378 23.6025 -27.0379 -24.67 77.1193 23.6026 77.1194 18.8226 GPRESSAVG: 4651000 -47.0398 -25.5192 23.1728 -27.8702 -23.3373 77.0511 22.5965 78.1082 17.6066 TIMING: 4651000 CPU: 13514.8, 0.00292505/step Wall: 13514.8, 0.00292505/step, 0.283567 hours remaining, 206.171875 MB of memory in use. ENERGY: 4651000 768.6114 2119.0028 1953.6823 112.5547 -205946.2341 17614.7945 0.0000 0.0000 34356.7224 -149020.8660 300.0458 -183377.5884 -148925.3969 300.0034 -170.6893 -140.6993 558840.5005 -17.6909 -17.5902 PRESSURE: 4651200 79.7825 -59.8439 14.6571 -59.8447 -127.729 -46.5556 14.657 -46.5546 -49.9189 GPRESSURE: 4651200 87.903 -15.9603 -9.50179 -87.066 -56.9442 24.899 -21.6425 -128.046 -22.5951 PRESSAVG: 4651200 -98.0657 -33.2439 -4.5806 -33.244 6.32999 -9.07014 -4.58057 -9.07013 45.6349 GPRESSAVG: 4651200 -97.6293 -35.491 -6.17857 -30.2964 5.66772 -7.0859 -2.07795 -11.3893 45.4088 TIMING: 4651200 CPU: 13515.3, 0.00291238/step Wall: 13515.3, 0.00291238/step, 0.282178 hours remaining, 206.171875 MB of memory in use. ENERGY: 4651200 731.3896 2043.7952 1958.4784 122.4926 -206032.6871 17843.1521 0.0000 0.0000 34217.4722 -149115.9069 298.8297 -183333.3792 -149021.3797 299.4577 -32.6217 2.7879 558280.7643 -15.3669 -15.5176 PRESSURE: 4651400 -160.403 -324.772 -121.885 -324.773 -264.472 148.261 -121.885 148.262 -289.322 GPRESSURE: 4651400 -157.64 -306.647 -117.051 -352.298 -173.71 182.852 -96.0858 111.089 -278.701 PRESSAVG: 4651400 63.2306 -11.197 28.95 -11.197 -55.0632 27.2588 28.9501 27.2587 -9.65329 GPRESSAVG: 4651400 61.6458 -10.8673 30.177 -11.7204 -54.6197 26.1313 27.9976 26.5014 -8.9216 TIMING: 4651400 CPU: 13515.9, 0.00290649/step Wall: 13515.9, 0.00290649/step, 0.281445 hours remaining, 206.171875 MB of memory in use. ENERGY: 4651400 754.1330 2071.6834 1964.8235 108.4233 -205962.5365 17541.7077 0.0000 0.0000 34457.6059 -149064.1597 300.9268 -183521.7656 -148969.7473 299.5407 -238.0657 -203.3501 558686.8265 -0.4953 -0.6318 PRESSURE: 4651600 -289.943 200.739 -111.669 200.739 -197.745 -17.4357 -111.669 -17.436 -75.4547 GPRESSURE: 4651600 -230.872 210.16 -127.622 174.996 -228.887 -60.5052 -113.507 -23.7131 -9.18644 PRESSAVG: 4651600 29.4974 17.0592 34.7586 17.0591 -13.4182 2.80223 34.7585 2.8022 -34.7994 GPRESSAVG: 4651600 30.8627 17.7009 34.7632 15.7009 -13.4521 1.79298 33.9924 4.77657 -36.2669 TIMING: 4651600 CPU: 13516.5, 0.00289103/step Wall: 13516.5, 0.00289103/step, 0.279788 hours remaining, 206.171875 MB of memory in use. ENERGY: 4651600 730.5331 2106.8821 1971.7095 110.2173 -205837.8344 17559.0139 0.0000 0.0000 34303.1835 -149056.2949 299.5782 -183359.4784 -148956.0357 299.4304 -187.7143 -156.3152 557332.2945 -6.2401 -6.2854 PRESSURE: 4651800 168.475 112.986 60.3352 112.985 81.4576 -110.949 60.3354 -110.949 -110.755 GPRESSURE: 4651800 203.413 163.362 51.6563 95.5685 136.056 -33.7758 113.602 -96.5521 -97.6027 PRESSAVG: 4651800 63.4401 9.34957 9.05719 9.34963 -69.5408 8.45154 9.05715 8.45159 -26.3019 GPRESSAVG: 4651800 63.684 7.77124 7.81595 10.4148 -69.7138 10.0809 10.4956 6.01703 -25.9615 TIMING: 4651800 CPU: 13517.1, 0.00291935/step Wall: 13517.1, 0.00291935/step, 0.282366 hours remaining, 206.171875 MB of memory in use. ENERGY: 4651800 697.8225 2053.1601 1936.2625 112.0972 -205709.0510 17592.3615 0.0000 0.0000 34265.2095 -149052.1377 299.2466 -183317.3472 -148952.5911 299.6376 46.3925 80.6220 556962.1187 -10.8009 -10.6638 PRESSURE: 4652000 80.169 -15.5311 -52.0814 -15.5311 21.7558 38.9404 -52.081 38.9395 -15.5667 GPRESSURE: 4652000 66.0497 -120.781 -17.801 -16.0131 76.4176 47.2678 -98.5631 0.500821 43.6473 PRESSAVG: 4652000 65.2569 20.9205 -18.908 20.9205 -20.3412 33.8151 -18.9081 33.815 -40.7548 GPRESSAVG: 4652000 66.0959 21.8647 -17.241 21.9776 -20.4439 32.4528 -18.204 35.9515 -41.0402 TIMING: 4652000 CPU: 13517.7, 0.00291715/step Wall: 13517.7, 0.00291715/step, 0.281992 hours remaining, 206.171875 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: 4652000 766.8055 2076.0475 1977.5260 118.4289 -206352.9971 17922.0995 0.0000 0.0000 34348.2067 -149143.8831 299.9714 -183492.0898 -149045.8733 299.6716 28.7860 62.0382 556454.5081 1.3869 1.5373 PRESSURE: 4652200 -186.957 45.3635 164.962 45.3639 -246.374 6.23522 164.963 6.23446 -555.349 GPRESSURE: 4652200 -123.173 -21.4693 113.403 135.253 -243.669 30.6981 185.242 44.8731 -515.882 PRESSAVG: 4652200 65.4838 51.8833 10.3008 51.8833 54.5662 -16.5073 10.3008 -16.5072 -63.4332 GPRESSAVG: 4652200 64.6596 51.9099 10.673 50.3987 55.7779 -16.7887 8.52173 -17.3092 -63.8543 TIMING: 4652200 CPU: 13518.3, 0.00292487/step Wall: 13518.3, 0.00292487/step, 0.282575 hours remaining, 206.171875 MB of memory in use. ENERGY: 4652200 781.8218 2114.4234 1946.4749 123.0828 -206004.3160 17570.1024 0.0000 0.0000 34268.8960 -149199.5148 299.2788 -183468.4108 -149100.6186 299.9307 -329.5603 -294.2413 558813.5806 18.8723 18.8611 LDB: ============= START OF LOAD BALANCING ============== 13521.7 LDB: ============== END OF LOAD BALANCING =============== 13521.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521.7 LDB: ============= START OF LOAD BALANCING ============== 13522 LDB: Largest compute 4848 load 0.030943 is 26.3% of average load 0.117821 LDB: Average compute 0.001724 is 1.5% of average load 0.117821 LDB: TIME 13522 LOAD: AVG 0.117821 MAX 0.189092 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.09 MB LDB: TIME 13522 LOAD: AVG 0.117821 MAX 0.189092 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.297 MB LDB: TIME 13522 LOAD: AVG 0.117821 MAX 0.189092 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13522 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13522 PRESSURE: 4652400 -199.117 66.8963 70.3626 66.894 -101.233 99.2395 70.3628 99.2411 -161.533 GPRESSURE: 4652400 -97.4604 150.928 58.8097 2.57221 -133.736 152.336 106.591 70.1738 -125.249 PRESSAVG: 4652400 16.0918 40.8657 -47.6789 40.8657 -59.3462 50.0557 -47.6789 50.0557 1.40703 GPRESSAVG: 4652400 15.5988 41.4155 -46.2188 41.5367 -61.4381 49.8704 -48.1266 50.5914 3.45374 TIMING: 4652400 CPU: 13518.9, 0.0029867/step Wall: 13518.9, 0.0029867/step, 0.288383 hours remaining, 208.093750 MB of memory in use. ENERGY: 4652400 768.1522 2080.1659 1957.9500 113.7677 -206098.2621 17632.7155 0.0000 0.0000 34382.4878 -149163.0229 300.2708 -183545.5107 -149058.5865 299.5913 -153.9609 -118.8152 556801.5381 -13.9491 -14.1285 PRESSURE: 4652600 -100.796 84.0435 -130.519 84.0436 -168.133 -65.7357 -130.518 -65.7372 -137.247 GPRESSURE: 4652600 -7.02759 105.282 -209.439 45.439 -135.103 29.1134 -14.5195 -50.3929 -173.583 PRESSAVG: 4652600 22.8495 0.382791 -24.6214 0.382737 -27.7427 -66.4439 -24.6214 -66.4438 -9.3017 GPRESSAVG: 4652600 24.4899 -2.11427 -25.035 1.90432 -27.1421 -66.2743 -26.4555 -66.3517 -11.2559 TIMING: 4652600 CPU: 13519.4, 0.00291748/step Wall: 13519.4, 0.00291748/step, 0.281537 hours remaining, 208.203125 MB of memory in use. ENERGY: 4652600 769.8793 2079.6953 1971.3857 113.1770 -206070.8422 17782.0839 0.0000 0.0000 34231.6690 -149122.9518 298.9537 -183354.6209 -149022.5862 299.4929 -135.3919 -105.2380 559022.2954 -4.7316 -4.6360 PRESSURE: 4652800 -90.2458 -201.455 -83.9433 -201.456 -222.827 -91.8501 -83.9436 -91.8503 30.3119 GPRESSURE: 4652800 -56.4483 -109.476 -15.0103 -288.151 -171.307 -175.129 -44.6255 -156.577 46.0987 PRESSAVG: 4652800 43.4892 -26.5458 -21.1013 -26.5457 -12.0896 -5.89189 -21.1014 -5.892 -34.7688 GPRESSAVG: 4652800 41.5993 -24.6076 -21.9548 -28.6559 -11.3862 -6.40913 -17.2085 -7.24407 -33.8788 TIMING: 4652800 CPU: 13520, 0.00289965/step Wall: 13520, 0.00289965/step, 0.279655 hours remaining, 208.203125 MB of memory in use. ENERGY: 4652800 765.9678 2138.4927 1973.4538 109.5289 -205950.3273 17700.4586 0.0000 0.0000 34260.4467 -149001.9788 299.2050 -183262.4255 -148907.6206 300.2571 -94.2535 -60.5522 557165.0088 -1.1231 -1.2219 PRESSURE: 4653000 33.6868 108.373 46.3323 108.373 -208.974 143.726 46.3317 143.727 -47.0472 GPRESSURE: 4653000 55.0771 148.649 -10.0794 88.7492 -134.7 102.521 -2.40832 99.4754 -50.7813 PRESSAVG: 4653000 7.01541 -46.7682 56.4558 -46.7681 -41.3143 -61.8599 56.4557 -61.8598 70.7264 GPRESSAVG: 4653000 7.35648 -49.402 55.7971 -45.1559 -41.4251 -58.8044 55.0378 -61.2853 70.4054 TIMING: 4653000 CPU: 13520.6, 0.00290064/step Wall: 13520.6, 0.00290063/step, 0.279589 hours remaining, 208.203125 MB of memory in use. ENERGY: 4653000 766.2260 2134.1929 1998.3056 122.4928 -206093.2346 17731.9830 0.0000 0.0000 34433.4411 -148906.5931 300.7158 -183340.0343 -148810.8416 300.4174 -74.1116 -43.4680 556312.6870 12.1425 12.1123 PRESSURE: 4653200 -15.521 174.407 -10.6588 174.406 -18.2346 -160.3 -10.6593 -160.3 -121.787 GPRESSURE: 4653200 41.8177 158.803 23.5136 126.341 -31.5746 -193.386 -11.5697 -222.959 -62.613 PRESSAVG: 4653200 31.0092 3.00432 28.0182 3.00422 -8.87924 -32.7839 28.0182 -32.7839 -30.3644 GPRESSAVG: 4653200 32.6057 5.56053 26.389 1.90022 -9.45524 -30.8132 28.4288 -33.6849 -31.4774 TIMING: 4653200 CPU: 13521.2, 0.00291078/step Wall: 13521.2, 0.00291078/step, 0.280405 hours remaining, 208.203125 MB of memory in use. ENERGY: 4653200 762.3436 2139.4468 1970.0793 115.5882 -206170.1270 17744.8362 0.0000 0.0000 34574.8764 -148862.9565 301.9510 -183437.8330 -148759.8889 300.8430 -51.8476 -17.4566 557110.1037 -2.7448 -2.7757 PRESSURE: 4653400 -340.777 308.491 66.7316 308.492 -184.244 -47.7443 66.7306 -47.7437 -67.9637 GPRESSURE: 4653400 -337.848 179.506 84.1641 373.239 -113.268 -42.6072 7.7246 -40.5279 -60.2129 PRESSAVG: 4653400 0.942884 29.3656 13.8059 29.3656 -27.7185 -19.4052 13.8059 -19.4052 13.4503 GPRESSAVG: 4653400 -1.87709 28.1516 15.3109 27.1045 -26.2662 -24.0041 14.0276 -18.2565 14.7689 TIMING: 4653400 CPU: 13521.8, 0.00290972/step Wall: 13521.8, 0.00290972/step, 0.280141 hours remaining, 208.203125 MB of memory in use. ENERGY: 4653400 780.3622 2109.7540 1989.9458 130.1201 -205805.6911 17457.6440 0.0000 0.0000 34412.0939 -148925.7710 300.5294 -183337.8649 -148829.0449 300.8405 -197.6618 -170.4429 556248.1773 -4.4418 -4.4581 PRESSURE: 4653600 -460.35 -28.6906 206.754 -28.6903 -55.2983 -0.0237407 206.753 -0.0246341 -189.269 GPRESSURE: 4653600 -395.761 52.3532 286.644 -101.831 -58.9523 44.7429 150.014 63.9081 -144.476 PRESSAVG: 4653600 -27.8056 50.7824 86.3321 50.7824 47.476 -64.3201 86.3321 -64.3202 16.5545 GPRESSAVG: 4653600 -25.9061 52.9468 85.268 51.1394 45.7977 -61.7244 85.2081 -65.4163 16.35 TIMING: 4653600 CPU: 13522.3, 0.00290447/step Wall: 13522.3, 0.00290447/step, 0.279475 hours remaining, 208.203125 MB of memory in use. ENERGY: 4653600 753.2035 2119.4021 1955.8771 114.2795 -206067.7285 17665.7598 0.0000 0.0000 34480.5281 -148978.6785 301.1270 -183459.2066 -148875.4463 300.4546 -234.9726 -199.7300 557480.4523 12.0750 12.0805 PRESSURE: 4653800 -196.161 190.417 135.942 190.419 -51.512 87.2987 135.94 87.2956 -140.294 GPRESSURE: 4653800 -191.354 245.083 56.7734 150.877 13.4321 55.3626 126.483 136.933 -127.459 PRESSAVG: 4653800 -51.4099 23.5497 11.8316 23.5497 78.0246 0.746595 11.8316 0.746641 -29.4043 GPRESSAVG: 4653800 -51.7939 20.6597 11.1529 26.3027 78.4689 -0.544439 10.9651 1.43323 -29.3594 TIMING: 4653800 CPU: 13522.9, 0.002903/step Wall: 13522.9, 0.002903/step, 0.279172 hours remaining, 208.203125 MB of memory in use. ENERGY: 4653800 754.9270 2143.1615 1946.6491 110.1909 -206252.1421 17716.2982 0.0000 0.0000 34455.2339 -149125.6816 300.9061 -183580.9154 -149024.2189 300.1354 -129.3223 -101.7934 558664.4921 -0.9299 -0.8948 PRESSURE: 4654000 -157.01 52.1916 79.4342 52.1906 76.8389 168.499 79.4335 168.498 -307.928 GPRESSURE: 4654000 -29.5435 138.812 11.3623 -11.847 41.5655 125.014 60.0417 112.226 -298.688 PRESSAVG: 4654000 -20.1054 -36.2153 13.9145 -36.2152 26.5453 21.2658 13.9145 21.2658 -31.2706 GPRESSAVG: 4654000 -19.7846 -35.0194 13.822 -38.4609 25.8323 21.9559 15.2498 19.7494 -31.02 TIMING: 4654000 CPU: 13523.5, 0.00292729/step Wall: 13523.5, 0.00292729/step, 0.281345 hours remaining, 208.203125 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: 4654000 735.9574 2122.2891 1942.5923 110.5570 -205802.1667 17531.8646 0.0000 0.0000 34468.4684 -148890.4379 301.0217 -183358.9063 -148791.5343 299.8243 -129.3665 -95.5552 559089.4131 -8.2769 -8.3241 PRESSURE: 4654200 -169.475 -28.2594 16.4255 -28.2589 -239.828 5.83977 16.4244 5.84012 94.4132 GPRESSURE: 4654200 -152.674 -81.4239 -54.4177 -21.209 -204.297 12.7724 4.22561 -76.8009 138.139 PRESSAVG: 4654200 -68.595 -66.8286 -19.5385 -66.8287 83.4656 -27.754 -19.5385 -27.754 9.43233 GPRESSAVG: 4654200 -68.7544 -68.7576 -19.0514 -66.2192 83.3782 -27.4621 -19.9336 -24.674 9.68744 TIMING: 4654200 CPU: 13524.1, 0.00292232/step Wall: 13524.1, 0.00292232/step, 0.280705 hours remaining, 208.203125 MB of memory in use. ENERGY: 4654200 745.7740 2129.0617 1960.3472 108.9818 -205770.3865 17413.4774 0.0000 0.0000 34326.4286 -149086.3158 299.7812 -183412.7444 -148982.2257 300.3167 -104.9629 -72.9442 559153.2242 8.1010 8.1038 PRESSURE: 4654400 -141.187 -41.0089 -2.12039 -41.0092 172.184 -47.5717 -2.11978 -47.572 -156.648 GPRESSURE: 4654400 -96.1048 -23.8786 48.658 7.76167 166.706 -123.599 34.3864 -21.4993 -89.2754 PRESSAVG: 4654400 -32.1744 36.9877 42.5644 36.9877 67.3623 21.1513 42.5644 21.1513 -3.85063 GPRESSAVG: 4654400 -33.1047 38.0288 45.5777 35.882 67.8952 21.0477 41.8491 19.825 -3.75227 TIMING: 4654400 CPU: 13524.7, 0.00291272/step Wall: 13524.7, 0.00291272/step, 0.279621 hours remaining, 208.203125 MB of memory in use. ENERGY: 4654400 762.9066 2131.3853 1965.1154 121.1896 -206408.4807 17957.6980 0.0000 0.0000 34368.7562 -149101.4296 300.1509 -183470.1858 -149007.7351 299.6653 -41.8834 -6.2247 557664.6225 10.4458 10.3461 PRESSURE: 4654600 49.3554 -94.6623 28.7521 -94.6624 187.029 133.185 28.7503 133.184 -54.6552 GPRESSURE: 4654600 107.533 -58.3152 102.142 -135.469 219.973 166.544 30.6037 149.749 -43.7174 PRESSAVG: 4654600 -11.2126 -62.615 -11.7781 -62.6151 9.12692 12.906 -11.7783 12.906 -17.0726 GPRESSAVG: 4654600 -11.0236 -62.4226 -13.6002 -60.6906 9.23614 12.8683 -11.1237 12.3908 -17.2104 TIMING: 4654600 CPU: 13525.3, 0.00292267/step Wall: 13525.3, 0.00292267/step, 0.280414 hours remaining, 208.203125 MB of memory in use. ENERGY: 4654600 733.3953 2082.6173 1973.8105 102.7780 -206413.0567 18031.9653 0.0000 0.0000 34267.5673 -149220.9230 299.2672 -183488.4903 -149122.2796 299.2710 60.5764 94.5959 558508.8530 -6.3861 -6.3326 PRESSURE: 4654800 141.315 -21.727 1.46916 -21.7266 -317.056 11.3762 1.46896 11.3773 -159.161 GPRESSURE: 4654800 89.9251 74.3546 -6.18592 -35.5664 -212.557 46.936 -47.0832 -24.5489 -121.869 PRESSAVG: 4654800 54.9954 -5.76997 -39.0427 -5.76987 18.5565 3.88237 -39.0427 3.88249 -62.3688 GPRESSAVG: 4654800 56.4315 -4.84669 -38.555 -4.62754 17.9111 2.51314 -38.8647 5.17641 -63.1076 TIMING: 4654800 CPU: 13525.8, 0.00289208/step Wall: 13525.8, 0.00289208/step, 0.277318 hours remaining, 208.203125 MB of memory in use. ENERGY: 4654800 741.7075 2098.5371 1951.8727 116.5190 -206239.1189 17773.2613 0.0000 0.0000 34430.0330 -149127.1883 300.6860 -183557.2213 -149030.9595 300.0680 -111.6338 -81.5004 557949.5909 3.7277 3.7450 PRESSURE: 4655000 128.095 106.48 -41.3175 106.48 -3.83359 -25.4568 -41.318 -25.4568 91.9605 GPRESSURE: 4655000 98.9513 -13.8493 -88.4286 109.875 61.6065 4.93838 -12.8371 -43.8652 141.111 PRESSAVG: 4655000 66.7332 -19.0139 -59.8541 -19.014 -39.8603 13.3246 -59.8541 13.3246 -14.5669 GPRESSAVG: 4655000 66.2448 -18.9918 -60.3288 -21.374 -39.5521 13.7561 -59.7004 12.1838 -14.3905 TIMING: 4655000 CPU: 13526.4, 0.00290873/step Wall: 13526.4, 0.00290873/step, 0.278754 hours remaining, 208.203125 MB of memory in use. ENERGY: 4655000 721.8002 2116.2296 1950.7184 115.5207 -206306.9605 17869.4218 0.0000 0.0000 34326.6419 -149206.6278 299.7831 -183533.2697 -149102.7050 299.5411 72.0739 100.5563 556811.8424 4.1020 4.1007 PRESSURE: 4655200 -1.44968 -76.9621 -126.953 -76.9622 -78.4382 -37.405 -126.954 -37.4059 67.3835 GPRESSURE: 4655200 30.5077 -17.4747 -138.33 -67.2224 -35.8117 30.9916 -166.282 -68.6559 87.2012 PRESSAVG: 4655200 16.6798 -6.91389 -7.54814 -6.91393 -56.7764 -12.5821 -7.54818 -12.5821 12.4731 GPRESSAVG: 4655200 16.6014 -9.42856 -5.52565 -5.86557 -57.0718 -11.0577 -8.05726 -12.3475 12.6854 TIMING: 4655200 CPU: 13527, 0.00290329/step Wall: 13527, 0.00290329/step, 0.278071 hours remaining, 208.203125 MB of memory in use. ENERGY: 4655200 728.8881 2076.1447 1967.4094 115.5143 -206675.5803 17825.4005 0.0000 0.0000 34557.3403 -149404.8830 301.7978 -183962.2234 -149302.9711 299.3757 -4.1681 27.2991 555292.1884 -9.2078 -9.2617 PRESSURE: 4655400 46.8001 -68.5877 -344.037 -68.5867 115.887 -75.4049 -344.036 -75.406 209.477 GPRESSURE: 4655400 52.4817 -70.5046 -310.906 -112.726 166.717 -119.369 -307.919 -55.019 241.887 PRESSAVG: 4655400 91.6666 2.28191 -49.007 2.28189 -47.6583 -28.3135 -49.0071 -28.3136 5.36962 GPRESSAVG: 4655400 91.1197 4.53676 -50.0192 1.76151 -45.9164 -30.3307 -50.6319 -27.7112 4.07769 TIMING: 4655400 CPU: 13527.6, 0.00291818/step Wall: 13527.6, 0.00291818/step, 0.279335 hours remaining, 208.203125 MB of memory in use. ENERGY: 4655400 771.3516 1994.5503 1972.6163 112.2691 -206324.2379 17955.2758 0.0000 0.0000 34280.1398 -149238.0350 299.3770 -183518.1748 -149141.4055 299.2066 124.0548 153.6954 555824.0251 16.4593 16.4270 PRESSURE: 4655600 116.281 -15.7913 -148.513 -15.7908 -135.738 -60.1718 -148.511 -60.1713 51.54 GPRESSURE: 4655600 125.605 -0.403322 -120.942 83.5921 -41.0027 -69.9054 -129.656 -34.6012 52.8968 PRESSAVG: 4655600 -55.8615 31.8845 0.0727605 31.8845 24.918 17.5609 0.0727701 17.5609 8.21186 GPRESSAVG: 4655600 -55.9263 31.9069 -0.330828 32.4665 24.6881 18.9017 2.19591 16.2821 8.38598 TIMING: 4655600 CPU: 13528.2, 0.00290983/step Wall: 13528.2, 0.00290983/step, 0.278374 hours remaining, 208.203125 MB of memory in use. ENERGY: 4655600 758.2269 2052.7789 1966.7090 108.2039 -206236.4993 18022.2982 0.0000 0.0000 34177.5303 -149150.7520 298.4809 -183328.2823 -149057.6466 299.0672 10.6944 45.8329 557491.4971 -7.5772 -7.6174 PRESSURE: 4655800 1.04819 125.923 156.262 125.923 -142.641 17.3897 156.262 17.3879 47.497 GPRESSURE: 4655800 -1.51695 186.312 252.511 73.8358 -139.509 22.1076 78.4403 71.5077 137.281 PRESSAVG: 4655800 0.904514 4.60915 5.48332 4.60918 52.0512 -8.73204 5.48331 -8.73197 5.15653 GPRESSAVG: 4655800 1.71205 3.95712 4.89575 3.79745 50.5167 -6.46978 5.09308 -8.37284 6.00968 TIMING: 4655800 CPU: 13528.8, 0.00289774/step Wall: 13528.8, 0.00289775/step, 0.277057 hours remaining, 208.203125 MB of memory in use. ENERGY: 4655800 750.1302 2041.4798 1943.3520 117.7143 -206048.0602 17788.2690 0.0000 0.0000 34223.8265 -149183.2883 298.8852 -183407.1148 -149087.3244 299.1942 -31.3652 -1.2485 558343.1416 19.3707 19.4128 PRESSURE: 4656000 -299.027 -95.9603 102.283 -95.9601 143.499 96.3745 102.282 96.3751 -239.671 GPRESSURE: 4656000 -280.148 -76.0671 155.467 -223.766 216.141 196.174 120.49 8.39268 -222.269 PRESSAVG: 4656000 -26.1003 -49.7338 -30.2368 -49.7337 78.6565 -59.28 -30.2368 -59.2799 -15.8342 GPRESSAVG: 4656000 -26.834 -50.4189 -28.6938 -48.2481 80.1246 -59.275 -31.1454 -61.6843 -16.7193 TIMING: 4656000 CPU: 13529.3, 0.00291246/step Wall: 13529.3, 0.00291246/step, 0.278302 hours remaining, 208.203125 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: 4656000 739.4545 2087.7480 1927.8375 99.4041 -205777.9352 17554.3385 0.0000 0.0000 34080.6799 -149288.4728 297.6351 -183369.1527 -149190.1287 298.9082 -131.7328 -95.4254 559068.4204 12.2407 12.1904 PRESSURE: 4656200 -89.9332 4.15505 96.5152 4.15641 120.831 228.172 96.5164 228.171 100.741 GPRESSURE: 4656200 -23.0524 25.0638 37.0596 62.3765 126.275 203.499 122.033 256.996 148.229 PRESSAVG: 4656200 -13.5405 -49.8419 35.3261 -49.8419 17.2289 22.8212 35.3262 22.8214 -24.9211 GPRESSAVG: 4656200 -12.9914 -50.473 33.7511 -50.3703 16.2403 20.447 36.7071 26.3093 -24.1314 TIMING: 4656200 CPU: 13529.9, 0.00290506/step Wall: 13529.9, 0.00290506/step, 0.277433 hours remaining, 208.203125 MB of memory in use. ENERGY: 4656200 716.2211 2146.1342 1951.0495 99.5284 -206295.2606 17826.2943 0.0000 0.0000 34206.8450 -149349.1882 298.7369 -183556.0332 -149252.0681 299.4298 43.8796 83.8172 557304.6604 -7.0776 -6.9608 LDB: ============= START OF LOAD BALANCING ============== 13533.4 LDB: ============== END OF LOAD BALANCING =============== 13533.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.4 LDB: ============= START OF LOAD BALANCING ============== 13533.7 LDB: Largest compute 4848 load 0.031171 is 26.4% of average load 0.117896 LDB: Average compute 0.001723 is 1.5% of average load 0.117896 LDB: TIME 13533.7 LOAD: AVG 0.117896 MAX 0.189646 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 13533.7 LOAD: AVG 0.117896 MAX 0.189645 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: TIME 13533.7 LOAD: AVG 0.117896 MAX 0.189645 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.82 MB LDB: ============== END OF LOAD BALANCING =============== 13533.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13533.7 PRESSURE: 4656400 174.028 -6.63462 60.7497 -6.63652 88.547 199.529 60.7492 199.529 -112.427 GPRESSURE: 4656400 185.332 28.0771 112.123 -9.78319 110.676 286.851 7.599 108.214 -51.1427 PRESSAVG: 4656400 18.4988 17.2318 34.9736 17.2319 -17.1543 40.1123 34.9737 40.1124 12.9719 GPRESSAVG: 4656400 18.6968 15.986 37.7062 17.3408 -16.1466 41.6767 33.0552 38.6826 12.0304 TIMING: 4656400 CPU: 13530.5, 0.00297384/step Wall: 13530.5, 0.00297384/step, 0.283837 hours remaining, 206.902344 MB of memory in use. ENERGY: 4656400 753.6356 2153.8814 1968.6834 109.6531 -206779.2594 17977.3530 0.0000 0.0000 34288.5826 -149527.4703 299.4507 -183816.0528 -149432.4822 299.2238 50.0492 81.6218 556578.5456 4.7722 4.8602 PRESSURE: 4656600 -8.14482 -131.685 -103.733 -131.685 -132.528 45.6102 -103.733 45.6096 -160.681 GPRESSURE: 4656600 38.2517 -127.192 -192.838 -138.985 -85.3368 122.356 -37.4597 61.2163 -144.999 PRESSAVG: 4656600 74.0373 -18.9908 4.78294 -18.9909 19.8891 13.0038 4.78298 13.0038 -70.0855 GPRESSAVG: 4656600 72.2981 -17.0733 2.14284 -21.0122 21.1977 13.1372 8.09003 13.9873 -69.9726 TIMING: 4656600 CPU: 13531.1, 0.00291387/step Wall: 13531.1, 0.00291387/step, 0.277951 hours remaining, 207.343750 MB of memory in use. ENERGY: 4656600 720.3487 2114.4225 1962.9030 120.6253 -206119.7531 17694.0101 0.0000 0.0000 34124.7036 -149382.7399 298.0195 -183507.4435 -149279.4761 298.7622 -100.4512 -64.0281 557479.3169 7.9470 7.8411 PRESSURE: 4656800 -179.913 31.3094 -241.637 31.3088 -65.3688 27.9938 -241.638 27.9946 144.113 GPRESSURE: 4656800 -142.645 32.5687 -261.371 83.3275 -36.012 -7.59414 -155.115 31.3144 180.541 PRESSAVG: 4656800 16.6132 -60.6993 48.2805 -60.6993 -6.62371 4.47184 48.2806 4.47182 -2.98293 GPRESSAVG: 4656800 17.3058 -61.8368 49.7734 -58.7538 -7.70055 3.98309 46.2248 4.12977 -2.38443 TIMING: 4656800 CPU: 13531.7, 0.00289686/step Wall: 13531.7, 0.00289686/step, 0.276168 hours remaining, 207.343750 MB of memory in use. ENERGY: 4656800 752.3929 2171.5433 1931.2488 105.3185 -206320.9826 17936.5910 0.0000 0.0000 34127.5309 -149296.3572 298.0442 -183423.8881 -149204.1103 299.1463 -33.7229 0.6282 557239.2977 2.3355 2.4070 PRESSURE: 4657000 344.257 103.703 66.3021 103.702 94.5839 65.6945 66.3025 65.6943 -189.737 GPRESSURE: 4657000 349.865 130.402 98.815 69.9314 120.054 55.3106 55.9452 32.7716 -134.683 PRESSAVG: 4657000 -40.785 23.3693 -59.3231 23.3693 96.4528 19.3653 -59.323 19.3654 -47.2687 GPRESSAVG: 4657000 -39.6774 23.7627 -59.2013 21.5401 96.1055 19.734 -59.6655 19.1509 -47.7611 TIMING: 4657000 CPU: 13532.3, 0.00289968/step Wall: 13532.3, 0.00289968/step, 0.276275 hours remaining, 207.414062 MB of memory in use. ENERGY: 4657000 700.7431 2092.8304 1959.7994 113.8568 -206795.5023 18128.0875 0.0000 0.0000 34497.1043 -149303.0807 301.2718 -183800.1850 -149204.1007 299.0203 83.0346 111.7453 556235.0869 2.7997 2.8890 PRESSURE: 4657200 16.2643 16.1739 -166.765 16.1757 -97.7919 -78.0648 -166.767 -78.0634 26.1246 GPRESSURE: 4657200 43.0335 38.8889 -211.233 28.8985 -53.7277 -44.2073 -176.117 -117.194 62.1959 PRESSAVG: 4657200 17.6317 21.6628 -1.12335 21.6628 10.5256 -27.4667 -1.12325 -27.4667 -51.1369 GPRESSAVG: 4657200 17.0836 24.5259 -0.9904 21.607 9.98641 -28.2832 -0.860379 -27.1098 -50.1173 TIMING: 4657200 CPU: 13532.8, 0.00292916/step Wall: 13532.8, 0.00292916/step, 0.278921 hours remaining, 207.414062 MB of memory in use. ENERGY: 4657200 714.2625 2089.7568 1974.4452 108.0464 -206450.0251 17928.8309 0.0000 0.0000 34416.4669 -149218.2164 300.5676 -183634.6833 -149118.0205 299.2281 -18.4677 17.1672 558045.5948 -7.6599 -7.6824 PRESSURE: 4657400 22.6304 -21.2668 69.0851 -21.265 -17.2654 -6.43063 69.0848 -6.43083 -220.18 GPRESSURE: 4657400 63.8094 -70.674 130.875 53.9065 53.3544 22.6693 12.7875 33.3036 -231.024 PRESSAVG: 4657400 40.6746 -6.95334 -48.7345 -6.95332 42.3427 -39.1863 -48.7347 -39.1863 -67.2376 GPRESSAVG: 4657400 39.0549 -7.24995 -49.3403 -7.51017 43.5528 -39.7917 -47.6298 -38.5745 -67.5138 TIMING: 4657400 CPU: 13533.4, 0.00294161/step Wall: 13533.4, 0.00294161/step, 0.279943 hours remaining, 207.414062 MB of memory in use. ENERGY: 4657400 747.4118 2092.0234 1945.3237 122.0211 -206051.8420 17803.4807 0.0000 0.0000 34254.2416 -149087.3397 299.1508 -183341.5813 -148975.5715 299.6494 -71.6052 -37.9534 559148.2946 5.2599 5.0313 PRESSURE: 4657600 104.697 17.0026 -31.2259 17.0018 -0.348281 257.767 -31.2247 257.769 215.042 GPRESSURE: 4657600 108.317 6.99134 -76.2585 19.4586 74.2426 261.973 72.3615 192.371 243.628 PRESSAVG: 4657600 -9.96198 32.476 -30.3654 32.4759 44.5548 24.4272 -30.3654 24.4271 -58.1774 GPRESSAVG: 4657600 -9.1165 29.5989 -30.0088 33.9783 44.481 24.5014 -32.4353 22.691 -58.6641 TIMING: 4657600 CPU: 13534, 0.00292763/step Wall: 13534, 0.00292763/step, 0.27845 hours remaining, 207.414062 MB of memory in use. ENERGY: 4657600 776.3852 2098.7794 1943.7239 113.6297 -206330.0121 18112.6105 0.0000 0.0000 34223.6462 -149061.2372 298.8836 -183284.8834 -148966.8843 299.7002 106.4633 142.0624 557548.4507 -7.8615 -7.7666 PRESSURE: 4657800 -113.545 -35.4525 -88.5178 -35.4531 24.5372 13.3022 -88.5171 13.3013 -129.976 GPRESSURE: 4657800 -96.9833 -56.5596 -51.292 -27.3486 33.8478 13.378 -66.5634 26.7985 -63.683 PRESSAVG: 4657800 34.5993 0.249018 -62.457 0.249025 -17.4445 41.0657 -62.457 41.0658 5.64609 GPRESSAVG: 4657800 35.6673 0.962409 -64.8426 0.651066 -18.3727 41.8227 -60.7215 40.19 5.90526 TIMING: 4657800 CPU: 13534.6, 0.00292182/step Wall: 13534.6, 0.00292182/step, 0.277735 hours remaining, 207.414062 MB of memory in use. ENERGY: 4657800 762.9425 2080.7331 1983.1260 119.5523 -206073.9967 17689.5032 0.0000 0.0000 34323.8263 -149114.3133 299.7585 -183438.1396 -149011.0727 299.9679 -72.9946 -42.2729 556775.8101 7.6003 7.7333 PRESSURE: 4658000 -35.5418 47.0386 -142.203 47.0392 -63.0557 42.4412 -142.204 42.4424 170.828 GPRESSURE: 4658000 -19.477 -28.6318 -145.257 119.244 3.52722 134.185 -137.508 36.0657 193.592 PRESSAVG: 4658000 -56.7276 -13.6541 -37.2541 -13.6541 -6.2984 19.6257 -37.2542 19.6256 4.04267 GPRESSAVG: 4658000 -57.5766 -15.4241 -36.1032 -13.3856 -5.74087 19.7893 -37.0069 19.3771 3.85636 TIMING: 4658000 CPU: 13535.2, 0.00292522/step Wall: 13535.2, 0.00292522/step, 0.277896 hours remaining, 207.414062 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: 4658000 766.7798 2119.3124 1974.3813 110.9833 -205997.4405 17936.9415 0.0000 0.0000 34088.1929 -149000.8492 297.7007 -183089.0421 -148913.9341 299.8161 24.0769 59.2140 559396.0952 -19.6611 -19.8204 PRESSURE: 4658200 308.32 6.42706 67.8803 6.42743 119.991 154.614 67.8808 154.614 -15.6302 GPRESSURE: 4658200 332.478 135.268 115.432 -14.5965 134.544 132.465 104.117 129.289 67.5986 PRESSAVG: 4658200 -29.1485 29.1869 12.9781 29.1868 33.3652 -23.4517 12.9781 -23.4517 20.9984 GPRESSAVG: 4658200 -28.3955 32.1343 13.5962 27.8839 32.8843 -24.7823 12.9191 -21.3109 21.0202 TIMING: 4658200 CPU: 13535.8, 0.00288884/step Wall: 13535.8, 0.00288884/step, 0.274279 hours remaining, 207.414062 MB of memory in use. ENERGY: 4658200 739.3479 2089.9601 1946.9855 99.4791 -206485.7466 18128.0015 0.0000 0.0000 34454.5055 -149027.4669 300.8998 -183481.9725 -148935.1309 300.0010 137.5602 178.2068 557140.8332 8.4051 8.5030 PRESSURE: 4658400 -234.41 137.128 -95.1612 137.128 -349.848 -20.2092 -95.1627 -20.2089 -192.534 GPRESSURE: 4658400 -173.297 201.212 -63.3874 198.596 -319.827 51.8552 -104.079 -18.9268 -187.06 PRESSAVG: 4658400 1.57755 30.7541 1.26142 30.754 -7.25955 -1.43067 1.26139 -1.43067 28.9003 GPRESSAVG: 4658400 0.0221743 30.1707 1.69336 31.3488 -6.27989 1.10809 -0.138838 -1.56559 29.6387 TIMING: 4658400 CPU: 13536.3, 0.0029073/step Wall: 13536.3, 0.0029073/step, 0.27587 hours remaining, 207.414062 MB of memory in use. ENERGY: 4658400 785.5466 2056.7354 1935.5664 114.5028 -205893.8610 17553.5441 0.0000 0.0000 34384.7866 -149063.1791 300.2909 -183447.9658 -148968.1587 300.0540 -258.9306 -226.7278 558334.1111 7.7394 7.7936 PRESSURE: 4658600 110.086 -85.8842 -58.5308 -85.8851 163.483 68.9742 -58.53 68.9751 -133.524 GPRESSURE: 4658600 166.354 -94.1832 -41.7197 31.1851 184.384 30.7704 -51.5239 -36.6073 -131.796 PRESSAVG: 4658600 36.119 14.184 -27.314 14.184 -38.7268 29.6049 -27.3141 29.6049 25.7782 GPRESSAVG: 4658600 37.1084 13.9649 -27.5554 14.9572 -39.266 29.75 -27.3304 27.9288 26.1184 TIMING: 4658600 CPU: 13536.9, 0.00291038/step Wall: 13536.9, 0.00291038/step, 0.276001 hours remaining, 207.414062 MB of memory in use. ENERGY: 4658600 721.3898 2027.7582 1939.0722 115.5539 -206192.1786 17818.7098 0.0000 0.0000 34317.2042 -149252.4905 299.7007 -183569.6947 -149159.8517 299.7359 46.6814 72.9809 558076.6323 7.7235 7.9870 PRESSURE: 4658800 -48.1684 197.348 -44.7677 197.349 24.2553 51.1472 -44.7658 51.1467 97.535 GPRESSURE: 4658800 -58.2332 162.428 -90.3278 123.688 60.6024 101.196 -81.1957 127.017 162.701 PRESSAVG: 4658800 -23.3161 -32.3538 19.3208 -32.3539 42.0333 54.196 19.3209 54.1959 -5.84916 GPRESSAVG: 4658800 -23.5038 -32.8531 18.6881 -32.7868 42.4838 53.016 20.3997 54.7952 -6.02276 TIMING: 4658800 CPU: 13537.5, 0.00292481/step Wall: 13537.5, 0.00292481/step, 0.277207 hours remaining, 207.414062 MB of memory in use. ENERGY: 4658800 750.1884 2050.1253 1954.8554 108.2942 -206400.7352 17804.2097 0.0000 0.0000 34471.8671 -149261.1952 301.0514 -183733.0623 -149163.7433 299.0370 24.5406 55.0236 556834.2137 4.2894 4.3191 PRESSURE: 4659000 -155.498 175.546 -70.4245 175.545 -63.9156 -46.5792 -70.4258 -46.5807 -194.062 GPRESSURE: 4659000 -205.444 199.563 -116.923 153.979 16.4229 112.853 0.62951 -136.468 -138.806 PRESSAVG: 4659000 -4.63766 18.7217 -15.9354 18.7218 14.6583 15.0601 -15.9355 15.0601 -10.5557 GPRESSAVG: 4659000 -6.27353 17.3106 -16.9399 19.1485 15.6624 13.7242 -17.2179 14.8156 -9.57753 TIMING: 4659000 CPU: 13538.1, 0.00289168/step Wall: 13538.1, 0.00289168/step, 0.273907 hours remaining, 207.414062 MB of memory in use. ENERGY: 4659000 731.5569 2083.2375 1946.8923 115.1552 -206204.4377 17566.3158 0.0000 0.0000 34466.3367 -149294.9433 301.0031 -183761.2800 -149205.1714 299.3982 -137.8250 -109.2759 557148.0030 -0.1783 -0.0629 PRESSURE: 4659200 -81.4625 -141.468 19.3454 -141.467 145.223 -104.644 19.345 -104.642 202.933 GPRESSURE: 4659200 -23.8686 -84.276 48.0141 -103.097 161.808 -64.1856 -66.89 -114.832 236.121 PRESSAVG: 4659200 -3.43596 -10.5379 -27.7438 -10.5379 -14.3575 -18.1892 -27.7438 -18.1892 -4.99619 GPRESSAVG: 4659200 -3.21511 -9.47696 -25.4508 -11.1726 -13.9587 -17.8255 -28.8039 -18.7481 -5.12312 TIMING: 4659200 CPU: 13538.7, 0.00293775/step Wall: 13538.7, 0.00293775/step, 0.278107 hours remaining, 207.414062 MB of memory in use. ENERGY: 4659200 765.1007 2072.5098 1934.7124 105.1697 -206438.9903 18038.7046 0.0000 0.0000 34127.9987 -149394.7945 298.0483 -183522.7932 -149300.9776 299.2953 88.8978 124.6869 557123.4725 -7.5965 -7.4323 PRESSURE: 4659400 -347.874 -11.2424 24.3961 -11.243 -227.677 -65.3613 24.3956 -65.3622 -275.773 GPRESSURE: 4659400 -332.255 -30.4785 14.424 -45.9451 -203.455 -105.751 20.4578 -47.5327 -205.292 PRESSAVG: 4659400 10.2394 39.8825 43.3244 39.8826 -7.98975 -36.3417 43.3243 -36.3418 1.16876 GPRESSAVG: 4659400 11.3242 40.2694 42.6281 39.4838 -8.66258 -37.5237 43.7285 -33.025 0.410416 TIMING: 4659400 CPU: 13539.3, 0.00289893/step Wall: 13539.3, 0.00289893/step, 0.274271 hours remaining, 207.414062 MB of memory in use. ENERGY: 4659400 742.7306 2062.2890 1923.8618 110.5606 -206035.7526 17484.2194 0.0000 0.0000 34304.3694 -149407.7218 299.5886 -183712.0912 -149306.9193 299.0787 -283.7743 -247.0006 558186.7748 1.1395 1.0240 PRESSURE: 4659600 19.6024 -79.6998 -98.4578 -79.7002 -369.117 -109.88 -98.456 -109.882 -247.925 GPRESSURE: 4659600 28.0678 -93.0082 -82.7606 -37.8207 -330.018 -123.479 -119.761 -67.7976 -184.995 PRESSAVG: 4659600 -7.25093 -36.333 -48.2418 -36.333 -46.8823 -3.64408 -48.2417 -3.64408 60.1883 GPRESSAVG: 4659600 -7.23711 -35.7021 -49.2589 -36.8168 -47.516 -3.164 -49.0966 -4.48463 60.5575 TIMING: 4659600 CPU: 13539.8, 0.00288257/step Wall: 13539.8, 0.00288257/step, 0.272563 hours remaining, 207.414062 MB of memory in use. ENERGY: 4659600 708.2720 2103.2814 1940.2052 133.2087 -206169.9052 17598.8226 0.0000 0.0000 34266.1167 -149419.9987 299.2545 -183686.1154 -149320.5489 298.9699 -199.1466 -162.3152 557635.8692 2.0183 1.9348 PRESSURE: 4659800 -151.147 -193.085 42.7219 -193.085 -31.5616 -16.0844 42.7223 -16.085 101.524 GPRESSURE: 4659800 -115.299 -180.521 -12.7805 -298.748 -42.5041 -49.2502 86.6756 64.1181 176.208 PRESSAVG: 4659800 -39.062 11.5076 -13.3284 11.5076 11.2028 -5.24501 -13.3285 -5.24501 50.5726 GPRESSAVG: 4659800 -38.5407 10.9221 -11.8784 10.3991 10.9218 -4.91453 -11.7588 -7.32762 50.5873 TIMING: 4659800 CPU: 13540.4, 0.00290657/step Wall: 13540.4, 0.00290657/step, 0.27467 hours remaining, 207.414062 MB of memory in use. ENERGY: 4659800 745.5424 2101.0268 1951.3857 102.8645 -205967.0366 17674.4841 0.0000 0.0000 34185.0566 -149206.6766 298.5466 -183391.7332 -149105.3808 299.0489 -27.0614 6.1351 557485.8572 7.5711 7.6561 PRESSURE: 4660000 126.617 98.5202 84.1363 98.5176 -29.7595 26.4137 84.1378 26.4134 144.827 GPRESSURE: 4660000 114.352 136.194 100.323 24.1138 -0.0656029 13.1102 158.518 -8.42229 235.826 PRESSAVG: 4660000 -34.4156 -25.9525 42.6385 -25.9525 18.5368 12.9774 42.6385 12.9776 85.7724 GPRESSAVG: 4660000 -34.9582 -27.0478 41.9417 -24.5095 19.5497 11.8916 45.6281 12.9011 85.2947 TIMING: 4660000 CPU: 13541, 0.00290892/step Wall: 13541, 0.00290892/step, 0.274731 hours remaining, 207.414062 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: 4660000 720.9931 2096.0915 1959.8040 117.3547 -206192.9245 17825.6277 0.0000 0.0000 34153.1828 -149319.8706 298.2682 -183473.0534 -149219.8088 299.0704 80.5615 116.7043 557481.2327 23.2979 23.2954 PRESSURE: 4660200 140.748 103.093 58.2196 103.092 298.673 -120.556 58.2204 -120.555 129.32 GPRESSURE: 4660200 198.893 123.071 28.8719 14.7099 323.246 -140.657 36.1992 -173.627 143.038 PRESSAVG: 4660200 -29.5186 35.3929 42.4956 35.393 -35.3577 -45.1011 42.4955 -45.1012 56.545 GPRESSAVG: 4660200 -29.8033 36.3047 43.8621 32.8782 -35.6618 -44.461 38.5719 -42.9139 56.9987 TIMING: 4660200 CPU: 13541.6, 0.00292881/step Wall: 13541.6, 0.00292881/step, 0.276447 hours remaining, 207.414062 MB of memory in use. ENERGY: 4660200 704.2433 1986.0621 1955.9308 110.3988 -206444.3620 17973.6338 0.0000 0.0000 34194.2325 -149519.8606 298.6267 -183714.0931 -149417.4643 298.8003 189.5804 221.7256 556899.0693 -2.7771 -2.8221 LDB: ============= START OF LOAD BALANCING ============== 13545 LDB: ============== END OF LOAD BALANCING =============== 13545 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13545 LDB: ============= START OF LOAD BALANCING ============== 13545.3 LDB: Largest compute 4848 load 0.031546 is 26.8% of average load 0.117843 LDB: Average compute 0.001729 is 1.5% of average load 0.117843 LDB: TIME 13545.3 LOAD: AVG 0.117843 MAX 0.186026 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.074 MB LDB: TIME 13545.3 LOAD: AVG 0.117843 MAX 0.186026 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: TIME 13545.3 LOAD: AVG 0.117843 MAX 0.186026 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13545.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13545.3 PRESSURE: 4660400 -268.486 61.8906 -32.1457 61.8913 -38.8671 -24.8884 -32.1471 -24.8886 -38.1284 GPRESSURE: 4660400 -238.752 77.8724 -86.0267 99.883 33.0707 -33.8157 5.42313 19.0915 -38.2938 PRESSAVG: 4660400 19.5105 25.1409 -10.8399 25.1409 -77.3798 19.5028 -10.8399 19.5028 11.5815 GPRESSAVG: 4660400 20.4343 24.6887 -14.7197 28.5382 -78.4525 20.0346 -9.10378 17.3807 12.2706 TIMING: 4660400 CPU: 13542.2, 0.00297996/step Wall: 13542.2, 0.00297996/step, 0.281109 hours remaining, 208.703125 MB of memory in use. ENERGY: 4660400 691.0035 2024.0029 1956.1018 100.0040 -206067.9426 17717.1259 0.0000 0.0000 34033.6129 -149546.0918 297.2240 -183579.7047 -149449.8752 298.4136 -115.1605 -81.3249 559118.1783 -15.4292 -15.2492 PRESSURE: 4660600 -105.469 -115.089 -158.049 -115.088 -66.7005 81.0551 -158.049 81.0551 -263.49 GPRESSURE: 4660600 -134.438 -51.3082 -175.325 -182.317 0.169196 121.074 -167.478 44.5972 -192.231 PRESSAVG: 4660600 27.1601 16.7205 25.6916 16.7204 -51.3724 25.7766 25.6917 25.7766 28.7802 GPRESSAVG: 4660600 28.7361 16.9396 27.17 16.1178 -50.8274 26.4305 26.6643 27.1663 26.9981 TIMING: 4660600 CPU: 13542.8, 0.00291956/step Wall: 13542.8, 0.00291957/step, 0.27525 hours remaining, 208.847656 MB of memory in use. ENERGY: 4660600 721.9520 2113.1019 1961.6387 109.8879 -206209.4921 17654.2434 0.0000 0.0000 34145.5327 -149503.1355 298.2014 -183648.6683 -149412.4231 298.3271 -145.2198 -108.8331 557926.7136 1.5226 1.6356 PRESSURE: 4660800 3.34818 -51.9374 134.543 -51.9388 -91.8219 -189.275 134.542 -189.275 59.0637 GPRESSURE: 4660800 43.2497 -46.4746 193.234 39.7197 -42.4213 -235.236 120.904 -103.385 73.6902 PRESSAVG: 4660800 -0.525477 -8.00718 31.7908 -8.00713 -14.5281 -45.9414 31.7909 -45.9415 0.853418 GPRESSAVG: 4660800 -1.765 -5.97569 32.6932 -6.55504 -13.4893 -46.8565 30.3587 -46.0855 1.21545 TIMING: 4660800 CPU: 13543.3, 0.00292556/step Wall: 13543.3, 0.00292556/step, 0.275653 hours remaining, 208.847656 MB of memory in use. ENERGY: 4660800 761.7341 2061.6180 1927.4610 103.3336 -206583.0974 18001.6667 0.0000 0.0000 34237.0790 -149490.2051 299.0009 -183727.2841 -149393.0957 298.2198 -9.8033 24.8395 557365.9593 -4.7334 -4.6796 PRESSURE: 4661000 48.8481 -200.084 -176.495 -200.084 14.5109 -62.1825 -176.496 -62.1825 67.9202 GPRESSURE: 4661000 58.5188 -180.719 -114.415 -211.687 81.1569 -119.497 -174.776 -40.7007 83.9002 PRESSAVG: 4661000 -40.9823 -21.4777 0.580274 -21.4778 10.9803 -37.6051 0.580249 -37.6052 3.50061 GPRESSAVG: 4661000 -41.9769 -23.8225 1.01539 -23.1066 10.446 -37.1712 2.88715 -38.2212 4.76454 TIMING: 4661000 CPU: 13543.9, 0.00293476/step Wall: 13543.9, 0.00293476/step, 0.276357 hours remaining, 208.847656 MB of memory in use. ENERGY: 4661000 728.0875 2112.2301 1962.7309 104.6307 -206616.5269 18004.9501 0.0000 0.0000 34228.9490 -149474.9486 298.9299 -183703.8976 -149377.9118 298.6251 43.7597 74.5253 557876.8431 -8.8338 -8.9221 PRESSURE: 4661200 176.942 -132.594 -74.7522 -132.594 13.183 13.2855 -74.7532 13.2866 509.761 GPRESSURE: 4661200 247.618 -165.757 -114.697 -128.17 -8.48889 -19.2735 -22.8535 -7.19726 551.164 PRESSAVG: 4661200 9.0366 0.693214 -9.25455 0.693057 -9.34995 -49.8889 -9.2545 -49.889 40.7377 GPRESSAVG: 4661200 11.0647 1.09367 -10.5439 2.70192 -9.15588 -50.0608 -10.467 -50.6347 38.8087 TIMING: 4661200 CPU: 13544.5, 0.00289551/step Wall: 13544.5, 0.00289551/step, 0.2725 hours remaining, 208.847656 MB of memory in use. ENERGY: 4661200 726.4433 2110.0116 1962.1184 103.2518 -206866.2995 18280.1389 0.0000 0.0000 34256.7124 -149427.6232 299.1724 -183684.3356 -149332.3575 298.9925 233.2955 263.4312 557415.5882 13.4748 13.5725 PRESSURE: 4661400 -198.1 -85.6376 41.6113 -85.6355 -187.957 -121.339 41.6107 -121.341 -33.0666 GPRESSURE: 4661400 -120.008 -193.413 64.3412 -81.7139 -186.61 -28.237 48.6276 -100.477 -15.6835 PRESSAVG: 4661400 18.7904 -37.7483 49.1734 -37.7482 -18.0785 -17.2214 49.1734 -17.2215 25.2097 GPRESSAVG: 4661400 18.6983 -36.7642 50.1608 -39.771 -17.9554 -19.076 49.7456 -18.2208 25.3893 TIMING: 4661400 CPU: 13545.1, 0.00291053/step Wall: 13545.1, 0.00291053/step, 0.273751 hours remaining, 208.847656 MB of memory in use. ENERGY: 4661400 763.2116 2080.2904 1971.0322 116.7442 -206055.4854 17656.5522 0.0000 0.0000 34166.5969 -149301.0580 298.3854 -183467.6549 -149205.4433 298.2058 -139.7079 -107.4340 558701.2105 8.6406 8.7107 PRESSURE: 4661600 -151.931 113.767 -29.5228 113.766 -201.72 -76.7506 -29.5232 -76.7503 -104.662 GPRESSURE: 4661600 -112.952 110.024 -24.0358 125.768 -192.351 -33.3393 -56.0423 -3.47597 -57.863 PRESSAVG: 4661600 -14.3963 -51.9526 32.9027 -51.9526 -20.4558 2.52963 32.9028 2.52975 -7.54323 GPRESSAVG: 4661600 -15.0105 -51.3508 32.2774 -51.7096 -20.1561 5.74617 33.3322 2.15343 -6.89765 TIMING: 4661600 CPU: 13545.7, 0.00292013/step Wall: 13545.7, 0.00292013/step, 0.274493 hours remaining, 208.847656 MB of memory in use. ENERGY: 4661600 744.3626 2106.6498 1960.6115 118.0256 -205903.8018 17543.5001 0.0000 0.0000 34287.8629 -149142.7893 299.4444 -183430.6522 -149051.6710 298.8522 -152.7708 -121.0553 557801.3671 -14.1318 -14.0214 PRESSURE: 4661800 -113.812 -12.8841 11.8372 -12.8832 -133.938 -6.22309 11.8381 -6.22289 -276.128 GPRESSURE: 4661800 -58.0054 15.3742 61.6309 -31.5007 -101.491 -5.15368 -46.2979 -58.5318 -257.134 PRESSAVG: 4661800 16.7476 22.251 -2.88304 22.251 0.321724 -53.2074 -2.88311 -53.2074 -46.6273 GPRESSAVG: 4661800 16.6605 21.1869 -0.988874 23.2132 1.37796 -54.2509 -4.33896 -53.0676 -47.3882 TIMING: 4661800 CPU: 13546.3, 0.00291705/step Wall: 13546.3, 0.00291705/step, 0.27404 hours remaining, 208.847656 MB of memory in use. ENERGY: 4661800 757.9435 2054.0988 1934.4046 108.1725 -206020.1444 17655.5332 0.0000 0.0000 34467.7096 -149042.2822 301.0151 -183509.9918 -148949.0178 299.3137 -174.6259 -138.8766 558622.1691 -9.8526 -9.7832 PRESSURE: 4662000 -231.535 -11.7125 -126.348 -11.7115 161.594 -52.7724 -126.348 -52.7751 -5.9792 GPRESSURE: 4662000 -181.49 -26.9691 -172.714 -27.7079 200.763 -16.0567 -161.511 -55.2407 -6.16192 PRESSAVG: 4662000 -29.0807 -25.2476 -43.7441 -25.2475 20.4284 -1.68575 -43.7442 -1.68576 -22.8753 GPRESSAVG: 4662000 -28.1562 -25.7367 -44.1394 -24.8935 19.136 0.164129 -45.385 -3.76837 -22.2041 TIMING: 4662000 CPU: 13546.8, 0.00292092/step Wall: 13546.8, 0.00292092/step, 0.274242 hours remaining, 208.847656 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: 4662000 724.0663 2083.2868 1930.6158 111.6321 -206426.7269 18019.8387 0.0000 0.0000 34304.2628 -149253.0245 299.5877 -183557.2873 -149159.0518 299.6115 -25.3070 4.3704 560088.9493 -10.5092 -10.4081 PRESSURE: 4662200 -19.0625 92.4585 -41.2521 92.4583 -196.605 36.8502 -41.2523 36.8496 186.009 GPRESSURE: 4662200 -1.7965 56.8355 -24.5482 102.456 -85.4587 15.9298 -12.7192 56.1445 172.347 PRESSAVG: 4662200 16.0922 -39.5466 -52.6387 -39.5465 -7.27074 41.8423 -52.6387 41.8423 -5.72375 GPRESSAVG: 4662200 15.6 -38.5748 -53.4617 -40.1407 -6.75882 41.5765 -51.1116 43.025 -5.62659 TIMING: 4662200 CPU: 13547.4, 0.00293392/step Wall: 13547.4, 0.00293392/step, 0.275299 hours remaining, 208.847656 MB of memory in use. ENERGY: 4662200 716.2881 2118.7633 1970.1192 125.3307 -206085.6453 17808.1641 0.0000 0.0000 34043.0545 -149303.9253 297.3065 -183346.9798 -149206.3709 298.6257 -9.8863 28.3641 558853.9384 1.0326 1.0715 PRESSURE: 4662400 -90.0659 80.2718 14.5946 80.2704 373.017 -212.813 14.5947 -212.812 138.834 GPRESSURE: 4662400 -72.2142 82.4488 49.9587 1.62854 415.902 -168.45 60.2506 -278.661 188.51 PRESSAVG: 4662400 26.4397 2.16342 7.60297 2.16336 -36.0214 -7.42183 7.60299 -7.42206 -9.20042 GPRESSAVG: 4662400 26.8229 2.67959 7.38062 0.37904 -36.5391 -8.36564 6.99975 -5.57438 -9.49107 TIMING: 4662400 CPU: 13548, 0.00292741/step Wall: 13548, 0.00292741/step, 0.274526 hours remaining, 208.847656 MB of memory in use. ENERGY: 4662400 744.9480 2160.8917 1945.6632 118.1464 -206778.0867 18165.1330 0.0000 0.0000 34312.2912 -149331.0132 299.6578 -183643.3045 -149237.6824 299.1034 140.5949 177.3994 557486.5129 -6.2607 -6.4024 PRESSURE: 4662600 -284.093 48.1788 -93.2297 48.1796 -202.261 -97.3196 -93.2298 -97.3198 140.137 GPRESSURE: 4662600 -223.13 -13.5583 -103.279 72.8489 -172.542 -61.7753 -69.2946 -101.063 157.916 PRESSAVG: 4662600 -3.34186 9.04495 14.9563 9.04492 -23.1994 6.06806 14.9563 6.06808 12.4076 GPRESSAVG: 4662600 -3.55018 7.02855 14.3091 10.9126 -23.0496 5.65769 16.729 4.64197 12.2048 TIMING: 4662600 CPU: 13548.6, 0.00294251/step Wall: 13548.6, 0.00294251/step, 0.275779 hours remaining, 208.847656 MB of memory in use. ENERGY: 4662600 751.7940 2090.6569 1953.3234 118.6145 -206036.3910 17787.5375 0.0000 0.0000 34249.0074 -149085.4573 299.1051 -183334.4647 -148978.7923 299.1149 -115.4055 -79.2520 558674.2853 -4.7112 -4.7984 PRESSURE: 4662800 297.638 38.2371 80.5769 38.2364 69.5803 -51.3813 80.5773 -51.3802 287.744 GPRESSURE: 4662800 299.189 6.9848 107.171 40.8074 116.198 -27.5907 73.4079 -46.6919 327.006 PRESSAVG: 4662800 -5.0319 18.1824 81.044 18.1824 21.544 -38.9388 81.044 -38.9389 33.3443 GPRESSAVG: 4662800 -5.62152 19.0872 81.495 16.0758 22.4808 -39.7026 79.9207 -38.3141 33.4343 TIMING: 4662800 CPU: 13549.2, 0.00294943/step Wall: 13549.2, 0.00294943/step, 0.276263 hours remaining, 208.847656 MB of memory in use. ENERGY: 4662800 736.1219 2087.0001 1943.6219 103.4550 -206478.9302 18184.2172 0.0000 0.0000 34182.1374 -149242.3768 298.5211 -183424.5142 -149147.1719 299.1304 218.3208 247.4642 557047.1817 16.6188 16.7646 PRESSURE: 4663000 -145.2 145.665 -86.1102 145.664 -355.946 10.3348 -86.1107 10.334 -38.2903 GPRESSURE: 4663000 -110.168 167.449 -18.5126 176.811 -327.587 -8.42842 -105.474 74.5942 -6.31278 PRESSAVG: 4663000 2.57207 46.8991 27.9226 46.8991 16.9765 5.96718 27.9226 5.96709 -0.57703 GPRESSAVG: 4663000 2.85653 46.5535 26.9248 50.0182 17.1371 6.93426 28.4121 7.16687 -0.86793 TIMING: 4663000 CPU: 13549.8, 0.00292207/step Wall: 13549.8, 0.00292207/step, 0.273538 hours remaining, 208.847656 MB of memory in use. ENERGY: 4663000 738.1313 2105.9368 1947.7234 122.4071 -205954.6615 17553.9144 0.0000 0.0000 34110.1939 -149376.3546 297.8928 -183486.5486 -149287.1406 298.6733 -179.8120 -148.0224 558506.0452 6.3239 6.3752 PRESSURE: 4663200 -85.1849 -70.6085 115.949 -70.6077 -159.75 11.369 115.949 11.3701 -122.855 GPRESSURE: 4663200 -60.5284 -64.7742 55.0374 -114.89 -143.556 106.212 146.628 24.4915 -73.7001 PRESSAVG: 4663200 69.3532 24.535 -31.6813 24.535 -40.3668 8.06072 -31.6814 8.06077 -43.8635 GPRESSAVG: 4663200 70.3242 26.5116 -29.9708 22.2315 -40.8148 6.29657 -32.7998 7.55909 -44.366 TIMING: 4663200 CPU: 13550.4, 0.00293462/step Wall: 13550.4, 0.00293462/step, 0.27455 hours remaining, 208.847656 MB of memory in use. ENERGY: 4663200 713.9212 2164.3286 1964.1466 111.2271 -206016.6400 17528.5065 0.0000 0.0000 33979.0216 -149555.4884 296.7472 -183534.5100 -149456.1610 298.2849 -122.5968 -92.5950 559197.4528 -4.9590 -4.9522 PRESSURE: 4663400 -194.673 24.1101 -25.4473 24.1099 -105.944 34.1108 -25.4478 34.1103 -223.942 GPRESSURE: 4663400 -196.732 -29.3734 -34.758 35.9335 -59.3839 40.0668 -52.3611 -36.4092 -171.917 PRESSAVG: 4663400 36.6444 -15.3822 -10.8175 -15.3822 41.8641 50.1452 -10.8175 50.1452 -19.9699 GPRESSAVG: 4663400 36.0449 -16.1001 -9.70044 -13.9929 42.0871 52.7054 -10.6479 48.6877 -19.4514 TIMING: 4663400 CPU: 13550.9, 0.00291268/step Wall: 13550.9, 0.00291268/step, 0.272335 hours remaining, 208.847656 MB of memory in use. ENERGY: 4663400 740.3937 2089.3872 1953.6656 116.0676 -206134.5468 17554.8170 0.0000 0.0000 34208.9402 -149471.2755 298.7552 -183680.2157 -149377.0489 297.9490 -174.8531 -142.6776 558349.9441 19.5128 19.5602 PRESSURE: 4663600 268.591 -156.193 153.164 -156.193 171.918 -5.77967 153.163 -5.78045 178.714 GPRESSURE: 4663600 315.482 -62.4939 241.416 -257.358 203.707 -24.7519 30.2364 -0.311161 197.863 PRESSAVG: 4663600 30.3527 3.72602 -37.1527 3.72596 -26.2957 22.1393 -37.1527 22.1393 13.7169 GPRESSAVG: 4663600 30.7804 1.2229 -38.6029 3.77882 -26.3711 18.7888 -37.26 25.1563 13.557 TIMING: 4663600 CPU: 13551.5, 0.00293223/step Wall: 13551.5, 0.00293223/step, 0.274001 hours remaining, 208.847656 MB of memory in use. ENERGY: 4663600 784.9610 2059.2482 1957.0493 104.2132 -206998.8135 18308.7940 0.0000 0.0000 34355.0342 -149429.5137 300.0311 -183784.5479 -149336.9198 299.0590 206.4077 239.0175 556177.7945 5.9247 5.9887 PRESSURE: 4663800 26.9101 -53.8951 133.469 -53.8937 133.587 -92.3937 133.467 -92.3957 66.0051 GPRESSURE: 4663800 102.639 -79.0492 138.228 -29.2278 155.593 -5.60207 107.923 -43.6464 67.276 PRESSAVG: 4663800 -16.3938 0.973227 -28.4561 0.973158 -12.3254 56.3676 -28.4562 56.3676 8.04031 GPRESSAVG: 4663800 -16.9317 3.7974 -29.2448 0.808912 -11.6738 59.522 -27.7236 55.8063 6.98634 TIMING: 4663800 CPU: 13552.1, 0.00289877/step Wall: 13552.1, 0.00289877/step, 0.270713 hours remaining, 208.847656 MB of memory in use. ENERGY: 4663800 719.9821 2100.0133 1945.6226 109.2687 -206593.6775 17946.0376 0.0000 0.0000 34401.3980 -149371.3553 300.4360 -183772.7533 -149274.3578 299.1605 75.5007 108.5028 557014.5395 -6.8930 -7.2064 PRESSURE: 4664000 -50.8718 -62.7246 -67.0493 -62.7227 -140.347 -49.3535 -67.05 -49.3537 -68.0938 GPRESSURE: 4664000 -50.7866 -32.8176 -75.8124 -33.9195 -94.1267 -92.8483 -96.3923 9.28519 -9.54966 PRESSAVG: 4664000 9.42132 5.15378 14.4746 5.15385 10.1929 14.801 14.4747 14.8009 8.87146 GPRESSAVG: 4664000 8.80685 4.78494 14.4488 4.94908 9.53736 13.4406 15.119 12.9062 9.96333 TIMING: 4664000 CPU: 13552.7, 0.00291462/step Wall: 13552.7, 0.00291462/step, 0.272031 hours remaining, 208.847656 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: 4664000 745.1017 2057.5381 1958.9020 116.8329 -206465.4986 17822.5045 0.0000 0.0000 34188.8226 -149575.7969 298.5795 -183764.6194 -149482.7567 298.8104 -86.4376 -51.4877 557236.3710 9.4952 9.4358 PRESSURE: 4664200 194.242 -59.4707 -107.146 -59.4707 -152.982 47.5021 -107.145 47.5023 78.1292 GPRESSURE: 4664200 225.119 -182.961 -142.84 -28.1687 -133.148 69.7376 -48.0678 52.3459 121.294 PRESSAVG: 4664200 76.2095 -24.2104 -42.1218 -24.2104 -29.5865 16.7223 -42.1217 16.7223 -11.8218 GPRESSAVG: 4664200 76.5633 -23.2893 -42.8227 -24.5328 -29.6547 17.0781 -43.6404 15.9623 -11.6347 TIMING: 4664200 CPU: 13553.3, 0.00293381/step Wall: 13553.3, 0.00293381/step, 0.27366 hours remaining, 208.847656 MB of memory in use. ENERGY: 4664200 751.1240 2111.5178 1969.5813 123.1641 -206574.2542 18018.3504 0.0000 0.0000 33901.7870 -149698.7296 296.0727 -183600.5166 -149610.2227 297.6051 39.7962 71.0882 557531.1305 11.6004 11.7580 LDB: ============= START OF LOAD BALANCING ============== 13556.8 LDB: ============== END OF LOAD BALANCING =============== 13556.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13556.8 LDB: ============= START OF LOAD BALANCING ============== 13557 LDB: Largest compute 4848 load 0.029915 is 25.4% of average load 0.117810 LDB: Average compute 0.001732 is 1.5% of average load 0.117810 LDB: TIME 13557 LOAD: AVG 0.11781 MAX 0.19056 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.41 MB LDB: TIME 13557 LOAD: AVG 0.11781 MAX 0.19056 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 13557 LOAD: AVG 0.11781 MAX 0.19056 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13557.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13557.1 PRESSURE: 4664400 -118.049 -21.7104 245.357 -21.7095 -219.039 99.2868 245.357 99.2871 -35.357 GPRESSURE: 4664400 -82.0761 -88.0822 250.64 66.5045 -123.259 74.4027 305.098 162.9 -83.1409 PRESSAVG: 4664400 -48.2911 8.31261 55.4905 8.31263 -15.627 44.1346 55.4906 44.1348 51.5846 GPRESSAVG: 4664400 -47.6602 4.37228 55.8577 8.68029 -16.6555 43.2126 56.2923 44.7726 51.7224 TIMING: 4664400 CPU: 13553.9, 0.00298921/step Wall: 13553.9, 0.00298921/step, 0.27866 hours remaining, 207.414062 MB of memory in use. ENERGY: 4664400 798.8109 2079.5640 1967.0127 113.5931 -206327.6381 17692.3784 0.0000 0.0000 33894.9262 -149781.3528 296.0128 -183676.2790 -149686.8965 298.6542 -124.1484 -96.1585 557995.6464 -4.1112 -4.1978 PRESSURE: 4664600 180.809 98.9174 -40.0667 98.9156 218.508 101.235 -40.067 101.237 127.831 GPRESSURE: 4664600 201.215 124.428 103.814 44.2285 284.218 145.129 -132.268 47.4362 145.723 PRESSAVG: 4664600 -27.0468 -3.90647 -9.00789 -3.90651 -10.1304 4.53985 -9.00785 4.5397 25.2073 GPRESSAVG: 4664600 -28.1288 -2.25943 -7.20758 -4.49515 -9.31278 4.69716 -11.023 4.50552 25.5773 TIMING: 4664600 CPU: 13554.5, 0.00292816/step Wall: 13554.5, 0.00292817/step, 0.272807 hours remaining, 207.617188 MB of memory in use. ENERGY: 4664600 719.0618 2088.4224 1946.8816 134.2558 -206662.1882 18044.8400 0.0000 0.0000 34166.0626 -149562.6641 298.3807 -183728.7267 -149460.0801 298.0428 175.7159 210.3854 556384.4636 -3.9899 -3.9548 PRESSURE: 4664800 -141.502 46.9313 92.8809 46.9305 -326.458 -0.705275 92.8813 -0.707146 -133.703 GPRESSURE: 4664800 -109.129 96.6239 83.9192 77.2639 -315.466 37.9273 27.6089 -93.2355 -79.123 PRESSAVG: 4664800 12.6643 -3.91065 53.8436 -3.91079 55.7196 -10.076 53.8435 -10.0759 -76.2607 GPRESSAVG: 4664800 13.8355 -4.00574 51.2622 -2.68339 55.0185 -9.31913 56.3451 -11.4444 -76.7819 TIMING: 4664800 CPU: 13555.1, 0.00295033/step Wall: 13555.1, 0.00295033/step, 0.274708 hours remaining, 207.617188 MB of memory in use. ENERGY: 4664800 759.4419 2063.6114 1968.6947 105.9623 -206240.0653 17497.7257 0.0000 0.0000 34455.6527 -149388.9765 300.9098 -183844.6292 -149296.3298 299.2686 -200.5543 -167.9060 556701.3149 -2.6256 -2.6426 PRESSURE: 4665000 -3.1659 -13.2584 78.2537 -13.2594 -3.76022 -13.7979 78.2538 -13.7986 284.684 GPRESSURE: 4665000 32.9179 -14.1589 155.842 0.793393 64.7312 17.4456 46.8378 -33.0217 282.599 PRESSAVG: 4665000 37.2833 -29.5001 1.62535 -29.5 -54.0638 -35.05 1.62538 -35.05 7.82018 GPRESSAVG: 4665000 35.108 -29.3509 1.75148 -32.0203 -52.8086 -36.2245 1.71001 -32.3327 9.01608 TIMING: 4665000 CPU: 13555.6, 0.00293388/step Wall: 13555.6, 0.00293388/step, 0.273014 hours remaining, 207.617188 MB of memory in use. ENERGY: 4665000 753.8148 2083.5783 1968.4491 124.4404 -206761.2805 17960.2890 0.0000 0.0000 34649.3388 -149221.3701 302.6013 -183870.7090 -149123.7263 299.1003 92.5860 126.7493 555006.1939 -2.9868 -2.8948 PRESSURE: 4665200 117.279 61.9126 -36.64 61.913 -158.077 95.2715 -36.64 95.2701 93.0478 GPRESSURE: 4665200 179.523 35.2463 -113.954 89.8241 -129.686 206.341 -8.00374 91.5857 106.006 PRESSAVG: 4665200 23.8825 -50.6626 28.1953 -50.6626 -45.1598 8.29068 28.1952 8.29064 34.4844 GPRESSAVG: 4665200 25.3058 -51.4809 29.9026 -48.5235 -46.7357 7.98534 27.4516 5.47419 34.3252 TIMING: 4665200 CPU: 13556.2, 0.00292738/step Wall: 13556.2, 0.00292738/step, 0.272246 hours remaining, 207.617188 MB of memory in use. ENERGY: 4665200 714.2893 2106.1130 1928.9049 104.8343 -206307.7319 17859.5057 0.0000 0.0000 34120.9189 -149473.1657 297.9865 -183594.0846 -149378.6676 298.6088 17.4165 51.9477 557071.9578 4.4024 4.2985 PRESSURE: 4665400 -59.1642 236.058 96.229 236.057 -330.23 -47.3664 96.228 -47.3662 -191.209 GPRESSURE: 4665400 -103.046 159.062 150.378 179.126 -278.961 -92.1049 58.9862 -85.1343 -92.3182 PRESSAVG: 4665400 37.7938 -6.44058 44.7186 -6.44067 -52.1424 9.47311 44.7186 9.47313 19.4864 GPRESSAVG: 4665400 37.0929 -4.42656 43.4253 -5.99885 -51.0183 7.54955 45.1977 10.0044 19.4271 TIMING: 4665400 CPU: 13556.8, 0.00289566/step Wall: 13556.8, 0.00289566/step, 0.269135 hours remaining, 207.617188 MB of memory in use. ENERGY: 4665400 716.5792 2116.5785 1979.8868 123.0788 -205896.8575 17476.2175 0.0000 0.0000 34013.3307 -149471.1861 297.0469 -183484.5168 -149378.5785 298.3238 -193.5341 -158.1084 557059.8806 1.7126 1.8339 PRESSURE: 4665600 298.552 170.837 21.4425 170.837 -26.4033 -30.8349 21.4437 -30.8346 -73.6862 GPRESSURE: 4665600 362.078 138.859 42.2476 135.905 4.37711 27.9081 -3.55853 -112.641 -59.7959 PRESSAVG: 4665600 14.7263 20.0463 28.6958 20.0463 -21.4936 2.40854 28.6957 2.40862 -21.799 GPRESSAVG: 4665600 15.4316 17.4269 28.9753 19.2344 -21.355 5.25199 27.8169 3.26622 -23.2007 TIMING: 4665600 CPU: 13557.4, 0.00289418/step Wall: 13557.4, 0.00289418/step, 0.268837 hours remaining, 207.617188 MB of memory in use. ENERGY: 4665600 755.0690 2081.5202 1949.6586 114.1019 -206511.0501 17926.7691 0.0000 0.0000 34147.6768 -149536.2546 298.2202 -183683.9313 -149443.8890 298.8168 66.1541 102.2198 556155.0536 -9.5221 -9.7080 PRESSURE: 4665800 -187.33 46.7376 106.575 46.7384 -98.5897 46.851 106.574 46.8491 -182.254 GPRESSURE: 4665800 -173.669 25.9698 152.366 -10.0377 -41.6201 -6.91214 49.5663 20.9961 -147.991 PRESSAVG: 4665800 14.38 10.9804 51.0912 10.9804 -42.4936 49.7035 51.0912 49.7036 -31.9839 GPRESSAVG: 4665800 13.7856 11.7642 52.2703 10.9086 -43.4455 48.7239 50.8685 48.2238 -31.0232 TIMING: 4665800 CPU: 13558, 0.0028884/step Wall: 13558, 0.00288839/step, 0.268139 hours remaining, 207.617188 MB of memory in use. ENERGY: 4665800 722.1404 2102.1905 1931.2580 109.6274 -206459.1267 17653.8903 0.0000 0.0000 34201.9477 -149738.0724 298.6941 -183940.0201 -149637.8690 298.5141 -156.0580 -121.0933 556604.8031 -20.0325 -20.2277 PRESSURE: 4666000 126.827 29.618 37.5186 29.6171 -52.7508 146.189 37.5172 146.189 -118.431 GPRESSURE: 4666000 116.54 74.2984 102.241 55.0486 -13.3351 14.34 -3.16848 188.137 -56.2523 PRESSAVG: 4666000 -46.0502 1.89796 57.897 1.898 23.6661 32.1094 57.8969 32.1094 8.71165 GPRESSAVG: 4666000 -46.5319 4.30567 57.2648 1.36665 23.4778 32.1103 58.9701 34.4653 9.33989 TIMING: 4666000 CPU: 13558.5, 0.00288636/step Wall: 13558.5, 0.00288636/step, 0.26779 hours remaining, 207.617188 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: 4666000 781.2552 1989.9594 1919.6046 111.9577 -206643.7503 17874.4109 0.0000 0.0000 34297.5199 -149669.0427 299.5288 -183966.5626 -149572.1784 298.3832 -14.7849 15.6509 555318.2027 -4.5575 -4.5714 PRESSURE: 4666200 142.297 -41.0421 -92.5731 -41.042 125.134 -102.498 -92.5721 -102.498 -74.152 GPRESSURE: 4666200 202.231 -90.5808 -150.367 -44.7214 134.988 -122.085 -70.2502 -53.0381 -60.9784 PRESSAVG: 4666200 5.11285 3.1474 5.29147 3.14739 38.4082 36.9271 5.29137 36.927 -52.2178 GPRESSAVG: 4666200 5.59282 1.6546 4.72298 2.98852 38.5829 38.9206 5.85391 34.0413 -52.5669 TIMING: 4666200 CPU: 13559.1, 0.00289455/step Wall: 13559.1, 0.00289455/step, 0.268389 hours remaining, 207.617188 MB of memory in use. ENERGY: 4666200 770.1863 2048.9121 1922.9717 106.4315 -206376.1695 17857.1049 0.0000 0.0000 34139.9274 -149530.6355 298.1525 -183670.5629 -149438.5982 298.4834 64.4263 92.0801 556375.8142 -2.8989 -2.7971 PRESSURE: 4666400 96.9133 -61.7456 46.1735 -61.744 -55.4599 -71.3195 46.1744 -71.3202 -26.4196 GPRESSURE: 4666400 139.966 -109.751 38.5099 -140.067 -27.9253 -95.0493 23.5969 -47.1212 1.51791 PRESSAVG: 4666400 3.43634 -32.8032 17.8663 -32.8032 41.0357 21.3441 17.8662 21.3439 -49.5263 GPRESSAVG: 4666400 5.24973 -33.8634 21.3014 -30.8141 40.0981 21.2152 16.2321 22.5542 -50.7458 TIMING: 4666400 CPU: 13559.7, 0.00291488/step Wall: 13559.7, 0.00291488/step, 0.270113 hours remaining, 207.617188 MB of memory in use. ENERGY: 4666400 762.1540 2044.2545 1965.6393 117.0950 -206297.8061 17735.4767 0.0000 0.0000 34195.6206 -149477.5660 298.6389 -183673.1866 -149383.9676 299.0239 5.0113 37.8529 555849.9736 -1.6847 -1.7993 PRESSURE: 4666600 -180.19 -146.419 -2.12125 -146.419 -38.2956 26.7124 -2.12028 26.712 118.373 GPRESSURE: 4666600 -159.26 -204.898 32.0192 -26.239 18.5216 -50.4479 -65.4196 41.5261 142.525 PRESSAVG: 4666600 8.79228 34.7296 -43.7254 34.7297 -30.2921 46.4767 -43.7254 46.4768 -12.7151 GPRESSAVG: 4666600 6.1068 36.9885 -44.7888 32.6313 -29.0411 46.4433 -43.1658 46.6677 -10.7333 TIMING: 4666600 CPU: 13560.3, 0.0029282/step Wall: 13560.3, 0.0029282/step, 0.271183 hours remaining, 207.617188 MB of memory in use. ENERGY: 4666600 741.7471 2074.5586 1960.4435 127.3252 -206188.6427 17793.2951 0.0000 0.0000 34238.7057 -149252.5674 299.0151 -183491.2731 -149150.9765 298.8391 -33.3710 0.5953 558237.5096 -11.4050 -11.2226 PRESSURE: 4666800 135.538 -65.4077 86.6971 -65.4072 -206.344 -76.7191 86.6956 -76.7191 5.02719 GPRESSURE: 4666800 197.766 -61.1432 55.5616 -128.748 -140.63 -39.4198 154.391 -32.6447 -13.7466 PRESSAVG: 4666800 53.3146 19.6806 -22.3338 19.6805 -49.5585 37.0211 -22.3339 37.0212 -19.252 GPRESSAVG: 4666800 54.0216 17.2736 -25.0699 20.5539 -50.5566 36.8087 -21.0464 35.428 -18.7592 TIMING: 4666800 CPU: 13560.9, 0.00291538/step Wall: 13560.9, 0.00291538/step, 0.269834 hours remaining, 207.617188 MB of memory in use. ENERGY: 4666800 735.7460 2053.5255 1979.2470 114.7508 -206372.5228 17925.0518 0.0000 0.0000 34373.3985 -149190.8033 300.1914 -183564.2018 -149100.1880 299.0388 -21.9262 14.4631 557907.8367 -5.1653 -5.0981 PRESSURE: 4667000 -1.89385 -114.337 192.985 -114.338 -21.6394 -84.0548 192.986 -84.0545 183.685 GPRESSURE: 4667000 40.5795 -97.7874 183.851 -129.554 -0.228778 -30.497 225.779 -36.5759 216.257 PRESSAVG: 4667000 48.5843 -32.1352 -20.3678 -32.1353 -37.4253 -36.9094 -20.3678 -36.9094 11.5182 GPRESSAVG: 4667000 48.0238 -30.5401 -18.1114 -32.9815 -36.3503 -35.9273 -21.4794 -36.4016 10.7226 TIMING: 4667000 CPU: 13561.5, 0.00290612/step Wall: 13561.5, 0.00290612/step, 0.268816 hours remaining, 207.617188 MB of memory in use. ENERGY: 4667000 763.0379 2056.0077 1927.6806 120.1503 -206405.2486 17987.8744 0.0000 0.0000 34349.8947 -149200.6030 299.9862 -183550.4977 -149103.0079 299.5467 53.3838 85.5360 558697.5112 7.5591 7.4654 PRESSURE: 4667200 -62.3439 -20.7724 94.2454 -20.773 140.866 21.1601 94.2442 21.1592 -164.033 GPRESSURE: 4667200 -69.5978 14.7275 86.2603 -49.4287 153.234 -3.30055 82.7109 -20.3588 -64.8878 PRESSAVG: 4667200 28.4103 43.582 -28.787 43.5819 -24.5673 20.7426 -28.7869 20.7426 -17.1749 GPRESSAVG: 4667200 29.3366 42.737 -30.8199 42.3043 -24.9183 19.6737 -26.6424 21.0238 -17.4834 TIMING: 4667200 CPU: 13562, 0.00289616/step Wall: 13562, 0.00289616/step, 0.267734 hours remaining, 207.617188 MB of memory in use. ENERGY: 4667200 740.6525 2083.4855 1940.8307 121.7549 -206452.1518 17883.0714 0.0000 0.0000 34492.4722 -149189.8846 301.2313 -183682.3569 -149093.1478 299.0261 -28.5038 6.2496 557496.0418 -4.4440 -4.3550 PRESSURE: 4667400 4.53958 160.08 139.122 160.08 -47.7916 130.13 139.121 130.129 29.6148 GPRESSURE: 4667400 9.85235 125.318 119.333 214.768 -10.5679 99.5721 139.296 127 94.433 PRESSAVG: 4667400 33.743 -5.44151 11.7227 -5.4416 -20.2323 14.121 11.7228 14.121 23.7805 GPRESSAVG: 4667400 33.7231 -5.88414 12.4286 -3.37015 -19.6449 13.8883 10.3728 15.2479 23.775 TIMING: 4667400 CPU: 13562.6, 0.00292764/step Wall: 13562.6, 0.00292764/step, 0.270481 hours remaining, 207.617188 MB of memory in use. ENERGY: 4667400 726.9046 2086.5713 1968.1158 116.6570 -206108.0200 17841.1593 0.0000 0.0000 34276.1813 -149092.4307 299.3424 -183368.6120 -149003.5235 299.7679 -4.5457 31.2392 557833.0172 12.4304 12.6178 PRESSURE: 4667600 -406.404 -23.803 77.8248 -23.8029 -300.199 -39.0487 77.8237 -39.0495 -196.645 GPRESSURE: 4667600 -371.068 -103.739 123.67 49.6154 -227.907 -126.328 25.3716 -73.3757 -207.426 PRESSAVG: 4667600 10.495 17.1434 6.90617 17.1433 39.582 -13.6304 6.90615 -13.6306 -46.4165 GPRESSAVG: 4667600 10.5191 19.1845 5.57779 15.0497 39.4313 -14.809 9.79241 -14.1726 -46.6172 TIMING: 4667600 CPU: 13563.2, 0.00293778/step Wall: 13563.2, 0.00293778/step, 0.271255 hours remaining, 207.617188 MB of memory in use. ENERGY: 4667600 739.2543 2133.2735 1948.3594 111.3062 -205785.4514 17296.0067 0.0000 0.0000 34327.1379 -149230.1134 299.7874 -183557.2513 -149128.6008 300.1767 -301.0828 -268.8004 558187.4024 1.2201 1.1111 PRESSURE: 4667800 97.2088 8.45111 63.8517 8.45242 378.773 5.63058 63.8513 5.63119 -50.4959 GPRESSURE: 4667800 87.9147 -100.324 93.2936 57.5144 412.779 16.503 90.7602 -37.7143 23.0018 PRESSAVG: 4667800 16.7043 46.7914 71.2443 46.7913 82.8213 -22.7374 71.2441 -22.7375 -61.1556 GPRESSAVG: 4667800 17.9542 46.2562 74.7284 49.1837 82.1892 -21.7337 68.2055 -22.2214 -60.8344 TIMING: 4667800 CPU: 13563.8, 0.00290951/step Wall: 13563.8, 0.00290951/step, 0.268483 hours remaining, 207.617188 MB of memory in use. ENERGY: 4667800 744.0863 2094.4743 1954.3185 107.6525 -206608.3428 18156.8459 0.0000 0.0000 34429.5736 -149121.3917 300.6820 -183550.9654 -149022.6596 299.9399 141.8285 174.5652 557474.7678 12.7900 13.1030 PRESSURE: 4668000 -299.04 15.6755 -13.1587 15.6759 119.877 0.0947144 -13.1592 0.094772 199.411 GPRESSURE: 4668000 -241.371 17.9893 47.6802 11.0834 142.343 -63.6713 -38.693 74.4612 214.469 PRESSAVG: 4668000 -60.6988 -0.986226 33.1127 -0.986186 77.0896 -45.3676 33.1127 -45.3677 14.18 GPRESSAVG: 4668000 -61.251 0.0470295 33.9273 -0.714541 77.3433 -44.1748 32.4752 -46.4334 14.0533 TIMING: 4668000 CPU: 13564.4, 0.00291886/step Wall: 13564.4, 0.00291886/step, 0.269184 hours remaining, 207.617188 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: 4668000 726.5217 2113.5194 1954.0720 117.0757 -206192.0623 17881.2971 0.0000 0.0000 34207.6742 -149191.9022 298.7441 -183399.5764 -149096.9988 299.9598 6.7494 38.4802 558051.0141 10.1903 10.0485 PRESSURE: 4668200 -21.7111 7.94926 -116.106 7.95001 -173.655 -98.4195 -116.106 -98.421 63.0752 GPRESSURE: 4668200 37.2471 34.0646 -216.603 62.4688 -115.42 -122.522 -71.9353 -58.2329 48.5035 PRESSAVG: 4668200 -3.48132 25.5001 -19.601 25.5 49.8612 10.8972 -19.601 10.8974 -37.5095 GPRESSAVG: 4668200 -3.46939 22.8552 -21.1718 26.2535 50.1641 10.0288 -16.6583 13.0497 -37.3374 TIMING: 4668200 CPU: 13565, 0.00291924/step Wall: 13565, 0.00291924/step, 0.269057 hours remaining, 207.617188 MB of memory in use. ENERGY: 4668200 767.2658 2077.4336 1977.6886 113.6104 -206151.7389 17855.1493 0.0000 0.0000 34278.3417 -149082.2494 299.3613 -183360.5912 -148989.4201 299.4539 -44.0970 -9.8898 558015.2330 2.9568 3.1191 LDB: ============= START OF LOAD BALANCING ============== 13568.4 LDB: ============== END OF LOAD BALANCING =============== 13568.4 LDB: =============== DONE WITH MIGRATION ================ 13568.4 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13568.7 LDB: Largest compute 4848 load 0.030348 is 25.8% of average load 0.117772 LDB: Average compute 0.001736 is 1.5% of average load 0.117772 LDB: TIME 13568.7 LOAD: AVG 0.117772 MAX 0.18351 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 13568.7 LOAD: AVG 0.117772 MAX 0.18351 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: TIME 13568.7 LOAD: AVG 0.117772 MAX 0.18351 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: ============== END OF LOAD BALANCING =============== 13568.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13568.7 PRESSURE: 4668400 -72.7515 -193.131 34.788 -193.133 -76.9834 107.344 34.7876 107.344 180.241 GPRESSURE: 4668400 -28.1324 -217.532 87.9039 -181.603 -15.1242 98.6397 41.9592 97.556 171.802 PRESSAVG: 4668400 -78.2263 -78.2674 -56.1541 -78.2674 43.0588 83.6359 -56.154 83.6359 31.3122 GPRESSAVG: 4668400 -78.4728 -77.1097 -56.2369 -77.7903 43.2872 82.9308 -58.4622 81.9155 31.2724 TIMING: 4668400 CPU: 13565.5, 0.00296024/step Wall: 13565.5, 0.00296024/step, 0.272671 hours remaining, 208.382812 MB of memory in use. ENERGY: 4668400 766.1355 2088.8899 1937.1775 123.2029 -206169.6644 17772.9659 0.0000 0.0000 34270.3023 -149210.9904 299.2911 -183481.2927 -149107.8044 300.0249 10.1686 42.8485 556162.8416 -1.2851 -1.3044 PRESSURE: 4668600 10.3609 28.1848 310.737 28.1845 43.7437 51.7274 310.737 51.7267 -169.41 GPRESSURE: 4668600 44.8737 68.3217 227.071 5.88251 76.3486 2.85876 338.152 43.473 -146.306 PRESSAVG: 4668600 -0.356 -6.37056 8.32262 -6.37065 25.7143 14.2061 8.32264 14.2061 -36.1751 GPRESSAVG: 4668600 -0.476895 -5.71629 7.98286 -8.27751 24.1451 15.5365 8.32331 13.772 -34.7768 TIMING: 4668600 CPU: 13566.1, 0.00290793/step Wall: 13566.1, 0.00290793/step, 0.267691 hours remaining, 208.585938 MB of memory in use. ENERGY: 4668600 773.4507 2102.1355 1981.2065 121.1733 -206364.8444 17883.3185 0.0000 0.0000 34240.8150 -149262.7449 299.0336 -183503.5599 -149164.5183 298.9031 -38.4351 -8.3612 556233.9987 -3.6056 -3.7028 PRESSURE: 4668800 131.277 -101.861 17.5617 -101.861 126.705 -176.99 17.563 -176.99 -55.7183 GPRESSURE: 4668800 186.631 -77.5531 35.7159 -27.0026 128.806 -171.514 86.921 -203.765 -24.2957 PRESSAVG: 4668800 7.12345 -69.8953 -7.98227 -69.8953 28.5272 -55.4412 -7.98223 -55.4411 -52.9355 GPRESSAVG: 4668800 9.13669 -70.2074 -8.38126 -71.8496 29.0235 -54.8095 -7.39566 -55.932 -55.2548 TIMING: 4668800 CPU: 13566.7, 0.00291987/step Wall: 13566.7, 0.00291987/step, 0.268628 hours remaining, 208.585938 MB of memory in use. ENERGY: 4668800 737.1610 2125.7853 1940.6557 108.8912 -206490.4117 17814.6974 0.0000 0.0000 34595.7875 -149167.4335 302.1336 -183763.2210 -149067.1720 300.1447 67.4213 97.0469 556258.0027 -5.7616 -5.6982 PRESSURE: 4669000 -170.227 -17.3718 -193.275 -17.3709 41.5298 153.612 -193.273 153.612 -52.7967 GPRESSURE: 4669000 -152.689 33.8453 -153.021 -112.582 47.1642 200.473 -165.86 169.991 22.587 PRESSAVG: 4669000 54.0964 -1.50822 -7.72651 -1.50815 -34.2551 26.1356 -7.72646 26.1358 -23.1171 GPRESSAVG: 4669000 52.9466 -0.533129 -7.31833 1.85357 -33.3964 25.2838 -6.27127 28.4422 -22.5767 TIMING: 4669000 CPU: 13567.3, 0.002909/step Wall: 13567.3, 0.002909/step, 0.267467 hours remaining, 208.585938 MB of memory in use. ENERGY: 4669000 748.0367 2120.5948 1967.8332 104.7550 -206101.4300 17722.6056 0.0000 0.0000 34238.0920 -149199.5126 299.0098 -183437.6046 -149099.8721 300.2128 -60.4981 -27.6460 558457.1129 -1.0919 -1.0088 PRESSURE: 4669200 -13.5535 138.011 125.518 138.01 85.9908 15.4183 125.517 15.4172 94.3117 GPRESSURE: 4669200 59.3079 101.118 76.1034 101.171 75.0927 106.63 167.783 29.5219 128.834 PRESSAVG: 4669200 14.0204 14.0119 -15.0493 14.0119 27.6892 -31.2686 -15.0493 -31.2686 -35.0165 GPRESSAVG: 4669200 15.0507 13.6339 -12.9165 12.3796 28.2779 -30.9877 -16.3908 -31.2597 -36.8161 TIMING: 4669200 CPU: 13567.9, 0.00290155/step Wall: 13567.9, 0.00290155/step, 0.266621 hours remaining, 208.585938 MB of memory in use. ENERGY: 4669200 729.6006 2055.4929 1953.8911 112.5025 -206237.8435 17942.7449 0.0000 0.0000 34229.2353 -149214.3761 298.9324 -183443.6114 -149117.9009 299.3166 55.5830 87.7450 557428.5486 2.2310 2.1708 PRESSURE: 4669400 -55.1089 20.0922 57.2618 20.0941 120.645 -11.5037 57.2602 -11.504 -191.129 GPRESSURE: 4669400 -14.0164 50.802 48.9663 -23.1264 138.757 -56.7776 90.1475 10.7519 -153.999 PRESSAVG: 4669400 -34.7821 -12.764 32.0038 -12.764 20.0885 -21.5956 32.0038 -21.5958 -5.30565 GPRESSAVG: 4669400 -36.2811 -11.8624 28.4895 -13.7918 19.8653 -21.8749 32.2948 -22.3911 -2.7386 TIMING: 4669400 CPU: 13568.5, 0.00289547/step Wall: 13568.5, 0.00289547/step, 0.2659 hours remaining, 208.585938 MB of memory in use. ENERGY: 4669400 709.8252 2072.2857 1945.1900 107.3433 -206126.5746 17729.2643 0.0000 0.0000 34280.2192 -149282.4469 299.3777 -183562.6661 -149186.1555 299.2662 -41.8646 -9.7530 558250.3927 -6.6664 -6.3848 PRESSURE: 4669600 -207.944 -74.4941 77.1035 -74.4929 -232.157 -140.213 77.1036 -140.213 -216.348 GPRESSURE: 4669600 -194.918 -143.449 -4.66829 -82.5505 -183.474 -26.6539 185.401 -219.065 -186.282 PRESSAVG: 4669600 -15.7552 2.21948 26.4807 2.21943 24.0129 -21.7643 26.4807 -21.7642 -7.1425 GPRESSAVG: 4669600 -14.3897 2.67358 27.7071 3.43881 23.6431 -23.8497 26.366 -20.6844 -7.92344 TIMING: 4669600 CPU: 13569, 0.00288998/step Wall: 13569, 0.00288998/step, 0.265236 hours remaining, 208.585938 MB of memory in use. ENERGY: 4669600 772.0212 2097.4659 1953.2531 103.6131 -206110.2723 17535.4086 0.0000 0.0000 34264.5982 -149383.9121 299.2413 -183648.5104 -149283.6793 299.1681 -218.8166 -188.2248 557344.8349 0.3717 0.4433 PRESSURE: 4669800 293.356 -37.7372 -23.2311 -37.7366 -77.9027 15.0936 -23.2312 15.0945 20.4671 GPRESSURE: 4669800 310.584 -14.084 -28.5827 -73.3427 -43.6579 19.405 -47.7238 7.40462 66.7505 PRESSAVG: 4669800 40.67 -38.4243 25.8813 -38.4242 9.19658 21.4586 25.8813 21.4584 -22.7446 GPRESSAVG: 4669800 40.4183 -40.1467 26.9847 -38.6279 9.37485 21.9944 26.8619 18.1974 -22.7246 TIMING: 4669800 CPU: 13569.6, 0.00292479/step Wall: 13569.6, 0.00292479/step, 0.268268 hours remaining, 208.585938 MB of memory in use. ENERGY: 4669800 742.1148 2063.0675 1941.3536 107.1277 -206400.9205 17949.5422 0.0000 0.0000 34430.6189 -149167.0959 300.6912 -183597.7147 -149072.9486 299.2965 78.6401 111.2255 556569.2483 9.0407 9.0228 PRESSURE: 4670000 -55.242 -21.3005 145.781 -21.3013 -82.9035 52.6337 145.78 52.6323 -189.415 GPRESSURE: 4670000 -48.9819 -21.9816 183.508 -81.0894 -59.4632 91.1497 152.277 -46.4687 -116.796 PRESSAVG: 4670000 37.9288 29.1266 -5.219 29.1267 -5.38583 -47.6094 -5.21896 -47.6094 -67.5258 GPRESSAVG: 4670000 37.1263 31.6563 -5.50172 29.0691 -5.14566 -47.0892 -6.26617 -44.1416 -67.0913 TIMING: 4670000 CPU: 13570.2, 0.00292763/step Wall: 13570.2, 0.00292763/step, 0.268366 hours remaining, 208.585938 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: 4670000 758.7249 2093.1126 1945.8420 115.4993 -206147.3981 17791.1214 0.0000 0.0000 34096.6757 -149346.4221 297.7747 -183443.0979 -149252.9735 299.4261 -109.1869 -75.0805 557003.5159 -11.6609 -11.7036 PRESSURE: 4670200 93.0604 142.455 39.8074 142.454 77.7486 -52.108 39.8066 -52.1102 238.682 GPRESSURE: 4670200 134.597 89.0127 -21.2702 33.7834 119.864 -9.3804 95.9005 -102.09 263.797 PRESSAVG: 4670200 14.3222 24.9744 -11.7858 24.9745 39.1418 -10.9051 -11.7858 -10.9052 -6.47225 GPRESSAVG: 4670200 15.346 21.9923 -12.1027 26.6709 38.3903 -10.4868 -12.7979 -10.3426 -6.65481 TIMING: 4670200 CPU: 13570.8, 0.00290758/step Wall: 13570.8, 0.00290758/step, 0.266367 hours remaining, 208.585938 MB of memory in use. ENERGY: 4670200 720.4959 2133.9022 1948.3078 95.1796 -206444.6918 18128.2381 0.0000 0.0000 34049.5593 -149369.0090 297.3633 -183418.5683 -149270.8105 297.8351 136.4969 172.7524 558504.4230 15.6639 15.6938 PRESSURE: 4670400 19.8163 -4.24124 60.8036 -4.24054 -20.4341 -26.4827 60.8028 -26.4834 -206.491 GPRESSURE: 4670400 12.4475 -3.2974 29.1891 7.15943 2.08088 31.9545 38.9267 14.005 -118.662 PRESSAVG: 4670400 -27.1912 -10.786 41.775 -10.786 27.013 -11.437 41.775 -11.437 22.1812 GPRESSAVG: 4670400 -29.1915 -9.9166 40.967 -11.3722 28.6493 -12.674 43.3668 -11.6686 22.6434 TIMING: 4670400 CPU: 13571.4, 0.00293023/step Wall: 13571.4, 0.00293023/step, 0.268279 hours remaining, 208.585938 MB of memory in use. ENERGY: 4670400 732.2254 2110.6434 1939.3609 99.9729 -205985.5569 17685.3444 0.0000 0.0000 34062.3438 -149355.6662 297.4749 -183418.0100 -149265.4507 298.2421 -69.0363 -34.7113 557176.0870 7.3343 7.3671 PRESSURE: 4670600 17.8879 218.137 -64.2275 218.136 -62.3065 -51.5687 -64.2272 -51.5689 -69.1692 GPRESSURE: 4670600 42.4392 256.373 -123.172 176.756 -46.5195 -36.7496 -41.4496 -64.2487 9.43748 PRESSAVG: 4670600 -25.5128 14.1692 8.10543 14.1692 25.4811 -50.8762 8.10538 -50.8763 11.4802 GPRESSAVG: 4670600 -23.9313 13.9197 10.0937 13.4151 24.4508 -50.7941 5.63726 -51.1658 10.4329 TIMING: 4670600 CPU: 13572, 0.00293378/step Wall: 13572, 0.00293378/step, 0.268441 hours remaining, 208.585938 MB of memory in use. ENERGY: 4670600 756.4867 2030.5555 1952.0858 121.6592 -206087.8108 17782.8651 0.0000 0.0000 34064.5850 -149379.5735 297.4945 -183444.1586 -149280.8933 298.5262 -37.8626 1.7857 559506.8685 3.8162 3.6508 PRESSURE: 4670800 -96.8574 60.8981 -120.831 60.8983 -23.2684 -65.2391 -120.831 -65.2392 -27.1522 GPRESSURE: 4670800 -52.4432 153.144 -159.461 65.736 -14.7577 -122.232 -62.5501 18.0379 3.36614 PRESSAVG: 4670800 26.1407 -16.4688 42.9452 -16.4688 -11.2841 -54.3969 42.9452 -54.3969 2.47113 GPRESSAVG: 4670800 26.3951 -14.5078 41.488 -14.9903 -11.1268 -54.7199 46.0567 -53.7816 2.04023 TIMING: 4670800 CPU: 13572.5, 0.00291477/step Wall: 13572.5, 0.00291477/step, 0.266539 hours remaining, 208.585938 MB of memory in use. ENERGY: 4670800 728.0069 2096.3992 1942.6632 127.9472 -206126.4140 17624.3545 0.0000 0.0000 34253.3718 -149353.6712 299.1432 -183607.0430 -149258.9519 299.5406 -49.0927 -21.2782 556898.9607 5.7759 5.7695 PRESSURE: 4671000 -5.4911 -20.8341 64.0881 -20.8336 124.9 -96.619 64.089 -96.6183 27.5003 GPRESSURE: 4671000 46.3409 -171.904 3.28048 19.944 129.308 -101.453 -20.1328 -99.3164 72.6342 PRESSAVG: 4671000 -40.0481 23.6561 71.782 23.6561 -33.4745 4.66818 71.782 4.66814 25.7461 GPRESSAVG: 4671000 -40.7558 22.2601 73.2217 22.3878 -33.5281 5.41846 69.6083 3.84718 27.147 TIMING: 4671000 CPU: 13573.1, 0.00290185/step Wall: 13573.1, 0.00290185/step, 0.265196 hours remaining, 208.585938 MB of memory in use. ENERGY: 4671000 749.2950 2075.7821 1953.9343 109.9653 -206381.9504 17909.5688 0.0000 0.0000 34247.1741 -149336.2307 299.0891 -183583.4049 -149242.1218 299.0249 48.9697 82.7609 556107.2507 -15.9255 -15.7123 PRESSURE: 4671200 -71.9948 113.344 7.85097 113.342 -41.2641 -31.3743 7.85036 -31.3774 110.356 GPRESSURE: 4671200 -49.1203 170.578 30.222 -29.0082 -36.6223 -85.0467 -40.4388 -46.601 181.928 PRESSAVG: 4671200 17.9676 15.5605 69.1129 15.5604 29.3833 -21.3649 69.1128 -21.3649 8.09795 GPRESSAVG: 4671200 18.0371 17.3892 67.6025 14.1364 29.2194 -21.5638 69.1913 -19.9436 7.4237 TIMING: 4671200 CPU: 13573.7, 0.00290685/step Wall: 13573.7, 0.00290685/step, 0.265492 hours remaining, 208.585938 MB of memory in use. ENERGY: 4671200 722.0052 2059.2018 1948.1931 105.5100 -206380.6311 17909.2560 0.0000 0.0000 34395.0340 -149241.4310 300.3804 -183636.4650 -149143.5058 299.2267 -0.9678 32.0618 557305.9032 18.4830 18.2267 PRESSURE: 4671400 43.9886 166.121 -103.613 166.123 201.042 130.096 -103.614 130.095 -3.12935 GPRESSURE: 4671400 77.6895 168.1 -106.424 145.132 235.446 213.404 -24.542 66.1046 14.6703 PRESSAVG: 4671400 26.8162 3.47871 0.17614 3.47868 50.116 -34.0424 0.176123 -34.0424 -70.7703 GPRESSAVG: 4671400 26.687 3.8991 0.22321 4.43366 49.604 -34.0356 0.871254 -34.2549 -70.5894 TIMING: 4671400 CPU: 13574.3, 0.00288718/step Wall: 13574.3, 0.00288718/step, 0.263535 hours remaining, 208.789062 MB of memory in use. ENERGY: 4671400 707.9825 2091.8631 1957.1872 128.7833 -206457.2337 17835.9355 0.0000 0.0000 34423.0276 -149312.4545 300.6249 -183735.4821 -149209.4787 299.4131 80.6337 109.2686 555863.5953 2.0540 1.9005 PRESSURE: 4671600 -38.6403 104.357 59.5625 104.356 -297.973 13.4011 59.5628 13.4013 -163.332 GPRESSURE: 4671600 -4.98856 1.02227 41.7725 107.867 -261.594 16.4645 140.31 -19.5339 -130.559 PRESSAVG: 4671600 25.4752 -14.8074 30.9323 -14.8074 29.6752 -7.34689 30.9323 -7.34695 -69.2862 GPRESSAVG: 4671600 25.1215 -17.2238 29.9988 -15.045 29.8025 -6.70563 31.4208 -6.75019 -68.964 TIMING: 4671600 CPU: 13574.9, 0.0028886/step Wall: 13574.9, 0.0028886/step, 0.263505 hours remaining, 208.789062 MB of memory in use. ENERGY: 4671600 786.1287 2126.5463 1947.7209 114.9280 -206174.6370 17705.1364 0.0000 0.0000 34063.6365 -149430.5401 297.4862 -183494.1766 -149331.2745 298.6708 -166.6486 -132.3803 557387.3942 -4.7119 -4.6800 PRESSURE: 4671800 -266.886 -158.293 -34.3493 -158.294 -185.646 33.4122 -34.3492 33.412 -70.6101 GPRESSURE: 4671800 -267.277 -199.181 -109.126 -113.203 -110.42 44.679 7.91195 1.71612 -42.7271 PRESSAVG: 4671800 27.9674 -55.6111 -21.4093 -55.611 14.1708 14.7879 -21.4093 14.7879 -1.58144 GPRESSAVG: 4671800 28.2203 -56.5288 -20.9532 -53.0703 13.4291 15.1852 -20.6353 13.6218 -0.457327 TIMING: 4671800 CPU: 13575.4, 0.00287288/step Wall: 13575.4, 0.00287288/step, 0.261911 hours remaining, 208.789062 MB of memory in use. ENERGY: 4671800 765.7021 2041.0943 1945.1413 115.1963 -206340.8360 17839.8742 0.0000 0.0000 34214.2569 -149419.5708 298.8016 -183633.8278 -149324.1579 298.8032 -174.3809 -140.1415 558570.4891 13.5189 13.7307 PRESSURE: 4672000 68.1853 128.47 14.9175 128.47 -61.1229 24.4024 14.9159 24.4015 -358.051 GPRESSURE: 4672000 104.618 96.3773 -39.5146 133.148 -14.4917 -43.7049 44.8573 93.6839 -339.954 PRESSAVG: 4672000 103.366 -22.6924 -14.9135 -22.6924 -114.785 -41.8682 -14.9135 -41.8684 1.63474 GPRESSAVG: 4672000 103.414 -22.7046 -14.0281 -23.1478 -113.737 -42.2625 -18.2079 -40.9045 0.344415 TIMING: 4672000 CPU: 13576, 0.00289441/step Wall: 13576, 0.00289441/step, 0.263713 hours remaining, 208.789062 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: 4672000 757.4453 2049.5428 1946.6102 119.5701 -206220.8761 17742.3538 0.0000 0.0000 34270.9208 -149334.4331 299.2965 -183605.3539 -149241.6829 298.8095 -116.9961 -83.2757 558691.8672 -3.2617 -3.3261 PRESSURE: 4672200 -91.4961 -0.758803 29.1588 -0.758297 -160.829 234.737 29.1597 234.738 -83.5292 GPRESSURE: 4672200 -56.2403 75.5757 68.5856 -17.5453 -107.656 176.494 -64.385 203.492 -70.0153 PRESSAVG: 4672200 24.5575 39.8341 -31.5706 39.8342 -16.7385 -26.2043 -31.5705 -26.2042 -26.6662 GPRESSAVG: 4672200 25.3765 41.41 -29.724 38.1731 -16.676 -25.0657 -32.1341 -27.4079 -27.771 TIMING: 4672200 CPU: 13576.6, 0.00291319/step Wall: 13576.6, 0.00291319/step, 0.265262 hours remaining, 208.789062 MB of memory in use. ENERGY: 4672200 755.5434 2096.4778 1976.6941 124.1441 -206551.8319 17867.3057 0.0000 0.0000 34430.5719 -149301.0949 300.6907 -183731.6667 -149213.4763 299.4801 -111.9515 -77.9704 557364.4052 -6.2824 -6.3569 LDB: ============= START OF LOAD BALANCING ============== 13580.1 LDB: ============== END OF LOAD BALANCING =============== 13580.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13580.1 LDB: ============= START OF LOAD BALANCING ============== 13580.4 LDB: Largest compute 4848 load 0.030112 is 25.6% of average load 0.117816 LDB: Average compute 0.001728 is 1.5% of average load 0.117816 LDB: TIME 13580.4 LOAD: AVG 0.117816 MAX 0.183124 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 13580.4 LOAD: AVG 0.117816 MAX 0.183124 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 13580.4 LOAD: AVG 0.117816 MAX 0.183124 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: ============== END OF LOAD BALANCING =============== 13580.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13580.4 PRESSURE: 4672400 -186.9 -142.765 103.331 -142.766 5.84663 61.8542 103.329 61.8544 -357.845 GPRESSURE: 4672400 -188.993 -113.328 97.7059 -100.654 32.6129 0.344191 97.4904 108.053 -282.149 PRESSAVG: 4672400 -22.7597 -12.2089 -9.69661 -12.2088 12.0849 27.3533 -9.69667 27.3532 -18.2542 GPRESSAVG: 4672400 -23.7349 -13.3556 -11.7141 -10.1046 12.574 28.1987 -8.75591 27.5233 -17.8098 TIMING: 4672400 CPU: 13577.2, 0.0029656/step Wall: 13577.2, 0.0029656/step, 0.26987 hours remaining, 208.019531 MB of memory in use. ENERGY: 4672400 781.6228 2073.1330 1955.7796 114.3733 -205903.7109 17549.5829 0.0000 0.0000 34182.6195 -149246.5999 298.5253 -183429.2194 -149156.3128 298.7962 -179.6328 -146.1765 556891.4099 -9.6430 -9.6569 PRESSURE: 4672600 4.89786 155.665 157.412 155.663 -46.6942 -67.5442 157.413 -67.5436 57.2428 GPRESSURE: 4672600 91.0453 162.661 117.247 194.416 -14.0887 -55.0833 128.835 -135.732 47.6966 PRESSAVG: 4672600 -28.978 26.5116 -9.2094 26.5116 -51.5031 -16.2339 -9.20942 -16.2339 45.42 GPRESSAVG: 4672600 -28.3714 28.6469 -10.9537 24.2957 -51.4144 -17.0107 -8.61839 -14.7614 44.9187 TIMING: 4672600 CPU: 13577.8, 0.00290288/step Wall: 13577.8, 0.00290288/step, 0.264001 hours remaining, 208.070312 MB of memory in use. ENERGY: 4672600 757.4232 2075.6170 1957.3312 119.7630 -206028.5340 17801.5246 0.0000 0.0000 34117.1941 -149199.6809 297.9539 -183316.8750 -149101.2509 299.1078 5.1488 41.5511 558375.4062 -11.6870 -11.6224 PRESSURE: 4672800 -20.1009 -86.3646 -175.169 -86.3656 46.2287 19.1667 -175.17 19.1664 -64.5067 GPRESSURE: 4672800 -18.7115 -101.613 -207.808 -15.3296 54.5949 -16.5113 -151.329 84.8667 18.5546 PRESSAVG: 4672800 -1.66588 12.8011 4.71328 12.8011 34.8956 30.3292 4.71316 30.3291 -11.7462 GPRESSAVG: 4672800 -2.35402 13.2533 7.52482 12.4243 33.7574 29.3279 4.59369 29.7964 -10.2795 TIMING: 4672800 CPU: 13578.4, 0.00292641/step Wall: 13578.4, 0.00292641/step, 0.265978 hours remaining, 208.070312 MB of memory in use. ENERGY: 4672800 725.1422 2121.7439 1946.4433 117.2186 -206212.1074 17844.8305 0.0000 0.0000 34326.9992 -149129.7297 299.7862 -183456.7289 -149037.2031 299.2713 -12.7930 18.1460 558491.5636 7.1612 7.0413 PRESSURE: 4673000 -105.573 -36.1206 19.2051 -36.121 -246.49 -95.0913 19.2034 -95.0915 86.006 GPRESSURE: 4673000 -98.179 -65.4835 -1.71356 54.6683 -188.713 -94.5834 35.1994 -84.9829 121.102 PRESSAVG: 4673000 -52.1477 25.5298 -8.52545 25.5296 -23.7458 84.0678 -8.52539 84.0677 99.2467 GPRESSAVG: 4673000 -51.6961 24.3579 -8.0015 27.4129 -22.7663 85.2562 -9.69573 84.6054 98.3293 TIMING: 4673000 CPU: 13578.9, 0.00290665/step Wall: 13578.9, 0.00290665/step, 0.26402 hours remaining, 208.273438 MB of memory in use. ENERGY: 4673000 706.1906 2088.5408 1946.3165 109.7198 -205546.2004 17477.8193 0.0000 0.0000 34151.0709 -149066.5425 298.2498 -183217.6134 -148967.7111 299.1282 -88.6858 -55.2632 559139.5331 7.7844 7.9556 PRESSURE: 4673200 -38.8448 26.2737 61.2533 26.2719 147.491 126.755 61.252 126.753 158.031 GPRESSURE: 4673200 14.3247 -5.76559 127.364 -18.9567 118.028 163.426 64.2387 55.0015 235.746 PRESSAVG: 4673200 -17.4979 22.7664 -17.2491 22.7664 -22.6588 19.1053 -17.2491 19.1052 65.1005 GPRESSAVG: 4673200 -17.0786 22.9049 -19.2489 21.6146 -23.3206 18.0984 -15.3202 19.891 66.0797 TIMING: 4673200 CPU: 13579.5, 0.00291809/step Wall: 13579.5, 0.00291809/step, 0.264897 hours remaining, 208.273438 MB of memory in use. ENERGY: 4673200 745.0131 2019.7065 1962.9446 108.4109 -206210.8630 17902.7351 0.0000 0.0000 34401.0519 -149071.0011 300.4329 -183472.0529 -148973.4113 299.9909 88.8922 122.6998 558341.1924 8.3146 8.5602 PRESSURE: 4673400 204.133 -87.0576 -49.633 -87.0582 -214.903 96.5308 -49.6334 96.5303 -139.553 GPRESSURE: 4673400 259.705 -111.35 -61.4159 -82.5929 -236.23 -119.061 -22.0043 169.886 -83.7001 PRESSAVG: 4673400 12.7964 -35.3006 -26.3199 -35.3006 -64.7116 -18.7121 -26.32 -18.7121 20.6247 GPRESSAVG: 4673400 12.9618 -36.4703 -24.313 -33.8847 -64.3916 -18.9885 -28.618 -19.0229 19.867 TIMING: 4673400 CPU: 13580.1, 0.00292585/step Wall: 13580.1, 0.00292585/step, 0.265439 hours remaining, 208.273438 MB of memory in use. ENERGY: 4673400 744.4216 2113.1832 1950.3410 106.8183 -206408.0129 18079.1536 0.0000 0.0000 34295.5478 -149118.5473 299.5115 -183414.0951 -149024.9401 299.7882 -50.1075 -20.0751 560515.2852 -10.4302 -10.5209 PRESSURE: 4673600 34.1029 -21.1208 -51.1673 -21.1204 -180.758 -4.52288 -51.1672 -4.52235 99.4747 GPRESSURE: 4673600 63.3999 -23.3838 -87.7135 -57.4504 -137.336 12.5126 -32.6975 44.3226 128.913 PRESSAVG: 4673600 33.8781 -28.1773 44.6431 -28.1774 -26.7307 48.0901 44.6432 48.0901 -18.7024 GPRESSAVG: 4673600 33.5929 -29.0074 44.1493 -27.7577 -25.7058 47.9117 44.1103 48.0602 -19.5216 TIMING: 4673600 CPU: 13580.7, 0.00289947/step Wall: 13580.7, 0.00289947/step, 0.262886 hours remaining, 208.273438 MB of memory in use. ENERGY: 4673600 727.3441 2147.8050 1947.3071 120.0325 -206243.5636 17801.2008 0.0000 0.0000 34312.8580 -149187.0160 299.6627 -183499.8740 -149091.7025 299.9348 -15.7268 18.3259 558702.3716 -3.8517 -3.8782 PRESSURE: 4673800 -94.0635 64.9785 -54.9137 64.9786 13.3915 62.0032 -54.9127 62.0041 -55.14 GPRESSURE: 4673800 -41.5282 70.9443 -79.5943 -8.00193 26.4678 104.974 -25.3618 13.6321 -27.6529 PRESSAVG: 4673800 -51.0513 -80.4131 -21.4864 -80.4132 -38.6341 2.57513 -21.4863 2.5752 43.2479 GPRESSAVG: 4673800 -50.2269 -80.1082 -23.2613 -81.3519 -40.0344 3.68491 -18.9198 2.48766 43.8055 TIMING: 4673800 CPU: 13581.3, 0.00289274/step Wall: 13581.3, 0.00289274/step, 0.262114 hours remaining, 208.273438 MB of memory in use. ENERGY: 4673800 727.7792 2094.4328 1980.8734 118.7094 -206198.2566 17891.9137 0.0000 0.0000 34200.5958 -149183.9524 298.6823 -183384.5482 -149084.0464 299.2744 -45.2707 -14.2377 558310.3043 -15.4792 -15.4853 PRESSURE: 4674000 77.0588 -133.843 -138.183 -133.844 -289.347 -151.224 -138.181 -151.224 -19.8476 GPRESSURE: 4674000 93.3327 -117.875 -69.21 -87.4881 -282.715 -104.774 -182.409 -183.443 49.2406 PRESSAVG: 4674000 13.3484 -71.4281 27.5819 -71.4282 -27.2713 -55.9955 27.582 -55.9955 32.4394 GPRESSAVG: 4674000 11.807 -72.4391 27.6159 -70.7826 -26.4142 -55.2752 26.0996 -56.3977 33.2666 TIMING: 4674000 CPU: 13581.8, 0.0028824/step Wall: 13581.8, 0.0028824/step, 0.261018 hours remaining, 208.273438 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: 4674000 695.6967 2118.7830 1960.1882 125.1785 -205538.2116 17589.0013 0.0000 0.0000 33944.2643 -149105.0996 296.4437 -183049.3639 -149009.0537 299.0973 -77.3785 -46.7139 559795.7100 6.1722 6.2198 PRESSURE: 4674200 -181.34 -27.0473 95.0484 -27.0471 -23.4842 37.5076 95.0479 37.5091 7.37289 GPRESSURE: 4674200 -113.327 33.4191 80.3289 -57.0792 21.5866 49.6297 -3.15241 46.7294 -18.9021 PRESSAVG: 4674200 24.3872 -1.56762 -8.52193 -1.56761 -47.0775 -49.021 -8.5219 -49.0212 -2.89815 GPRESSAVG: 4674200 25.6933 -2.12123 -8.54341 -2.5871 -47.2306 -50.313 -8.30786 -48.4133 -4.21776 TIMING: 4674200 CPU: 13582.4, 0.00290241/step Wall: 13582.4, 0.00290241/step, 0.262668 hours remaining, 208.273438 MB of memory in use. ENERGY: 4674200 743.5382 2105.0959 1974.4699 112.2586 -205843.0787 17701.9325 0.0000 0.0000 34084.5817 -149121.2019 297.6691 -183205.7836 -149027.2052 299.3754 -65.8172 -36.8810 558888.4887 -8.5295 -8.5850 PRESSURE: 4674400 -1.28204 67.4472 174.702 67.4485 -59.5629 79.3054 174.702 79.3044 7.75041 GPRESSURE: 4674400 50.8696 19.5458 128.977 64.4982 -31.4845 112.853 60.3709 28.8098 35.6426 PRESSAVG: 4674400 16.5572 20.4812 6.95315 20.4812 -36.9906 -15.1553 6.95316 -15.1554 20.8573 GPRESSAVG: 4674400 16.7434 24.625 7.04654 17.9335 -37.1919 -17.2756 7.56504 -16.393 20.5452 TIMING: 4674400 CPU: 13583, 0.00289872/step Wall: 13583, 0.00289872/step, 0.262173 hours remaining, 208.273438 MB of memory in use. ENERGY: 4674400 722.7282 2067.6675 1935.2564 118.5053 -205948.0804 17760.3694 0.0000 0.0000 34281.8549 -149061.6987 299.3920 -183343.5537 -148966.9026 299.6042 -17.6982 18.3426 558472.7174 0.1413 0.0323 PRESSURE: 4674600 -85.2686 123.618 -13.4548 123.618 -2.16358 -83.4281 -13.4546 -83.4261 85.6224 GPRESSURE: 4674600 -103.683 87.1625 -63.7456 158.009 89.3906 -45.5865 45.3257 -121.028 119.365 PRESSAVG: 4674600 27.837 86.722 38.2903 86.7221 -16.5175 -28.392 38.2903 -28.3919 4.90675 GPRESSAVG: 4674600 28.9552 83.2667 36.4827 89.7346 -16.3051 -25.9418 40.1355 -26.6111 3.70772 TIMING: 4674600 CPU: 13583.6, 0.00289675/step Wall: 13583.6, 0.00289675/step, 0.261834 hours remaining, 208.273438 MB of memory in use. ENERGY: 4674600 786.5174 2079.4173 1977.3336 102.6981 -206176.5417 17812.9752 0.0000 0.0000 34405.9423 -149011.6578 300.4757 -183417.6001 -148913.1546 299.8839 -0.6033 35.0243 558222.3306 5.4088 5.4526 PRESSURE: 4674800 -132.295 63.4906 -83.2355 63.4912 115.501 -1.2124 -83.2338 -1.21424 8.63694 GPRESSURE: 4674800 -55.7303 30.9252 -75.4488 48.7904 72.811 -52.6167 -116.508 -7.46689 55.2271 PRESSAVG: 4674800 -32.3474 60.4787 -23.0346 60.4786 4.13238 -52.4613 -23.0346 -52.4612 42.6968 GPRESSAVG: 4674800 -32.2689 61.3846 -21.1556 58.3834 4.43614 -51.7065 -25.038 -53.5333 42.2748 TIMING: 4674800 CPU: 13584.2, 0.00292749/step Wall: 13584.2, 0.00292749/step, 0.26445 hours remaining, 208.273438 MB of memory in use. ENERGY: 4674800 775.8533 2105.3350 1963.5171 116.4808 -205885.3465 17875.3772 0.0000 0.0000 34167.5160 -148881.2670 298.3934 -183048.7831 -148783.2713 299.8021 -2.7192 24.1026 559011.3556 4.8272 4.8140 PRESSURE: 4675000 126.39 3.80478 -9.93634 3.80463 65.6263 -43.9866 -9.93687 -43.9879 -71.9797 GPRESSURE: 4675000 143.608 37.1548 2.64399 42.2969 81.6845 -91.1015 -27.8675 -10.9475 -12.8763 PRESSAVG: 4675000 -36.5812 22.1631 25.8061 22.163 -27.0376 -2.17349 25.8061 -2.17353 78.9406 GPRESSAVG: 4675000 -37.4985 23.5994 24.5059 23.6215 -27.121 -2.23601 27.1543 -3.88696 80.2257 TIMING: 4675000 CPU: 13584.7, 0.0029267/step Wall: 13584.7, 0.0029267/step, 0.264216 hours remaining, 208.273438 MB of memory in use. ENERGY: 4675000 752.1347 2095.5904 1973.5147 106.6287 -206071.7215 17859.3871 0.0000 0.0000 34254.2652 -149030.2007 299.1510 -183284.4659 -148936.2556 299.6282 40.0121 70.8054 557899.3960 5.1073 5.2020 PRESSURE: 4675200 -63.1943 -80.5798 -55.9699 -80.579 -25.2221 -51.4234 -55.9702 -51.422 -165.117 GPRESSURE: 4675200 15.9341 -109.177 -87.1701 1.88444 -60.4638 -128.32 -164.194 -17.6855 -97.7328 PRESSAVG: 4675200 -11.448 -14.7776 -30.9015 -14.7776 -56.4487 -1.84224 -30.9016 -1.84197 66.1292 GPRESSAVG: 4675200 -12.4885 -14.101 -29.2264 -15.3625 -54.539 -3.15968 -32.9465 0.0470955 64.9344 TIMING: 4675200 CPU: 13585.3, 0.00292681/step Wall: 13585.3, 0.00292681/step, 0.264063 hours remaining, 208.273438 MB of memory in use. ENERGY: 4675200 759.5191 2093.9669 1952.5921 109.3537 -205951.6092 17787.2391 0.0000 0.0000 34345.3768 -148903.5614 299.9467 -183248.9382 -148810.8120 299.7817 -84.5111 -47.4208 557066.4343 -0.5892 -0.6977 PRESSURE: 4675400 -80.7529 15.9512 -196.316 15.9522 242.157 -64.9755 -196.316 -64.9756 -174.544 GPRESSURE: 4675400 -100.706 14.3197 -283.393 56.6151 251.537 -82.0998 -218.246 -136.423 -68.8943 PRESSAVG: 4675400 16.3582 8.56162 -13.8077 8.56161 -8.11077 -51.4519 -13.8077 -51.452 4.489 GPRESSAVG: 4675400 16.4866 9.19194 -16.5774 8.24328 -9.42461 -52.3588 -12.7516 -52.6714 5.23892 TIMING: 4675400 CPU: 13585.9, 0.00292047/step Wall: 13585.9, 0.00292047/step, 0.263329 hours remaining, 208.273438 MB of memory in use. ENERGY: 4675400 744.7747 2053.0037 1969.5886 116.8263 -205731.4108 17796.1145 0.0000 0.0000 34471.3783 -148579.7245 301.0471 -183051.1029 -148481.5984 300.0386 -4.3802 27.3122 558538.9922 4.2455 4.1003 PRESSURE: 4675600 98.4818 88.0674 29.2936 88.0676 86.7106 14.0338 29.2937 14.0326 419.209 GPRESSURE: 4675600 175.924 48.0174 12.4782 100.348 58.883 100.497 -52.7931 -50.8178 447.24 PRESSAVG: 4675600 -16.9582 7.48392 -30.3651 7.48394 -15.2836 6.55018 -30.3652 6.55009 11.3707 GPRESSAVG: 4675600 -16.2544 5.21227 -29.2227 8.15677 -16.0163 10.2141 -30.8011 5.88683 11.2878 TIMING: 4675600 CPU: 13586.5, 0.00293122/step Wall: 13586.5, 0.00293122/step, 0.264135 hours remaining, 208.343750 MB of memory in use. ENERGY: 4675600 739.6292 2102.0690 1952.1082 117.1987 -206191.9380 18002.7247 0.0000 0.0000 34573.9979 -148704.2103 301.9433 -183278.2082 -148605.6835 300.6144 201.4672 227.3489 556374.7546 -6.9570 -6.9943 PRESSURE: 4675800 -73.5603 137.339 -18.6277 137.338 23.1054 -29.6424 -18.6278 -29.6414 30.5692 GPRESSURE: 4675800 -56.8132 175.37 45.4164 53.2935 50.5787 -87.9916 -74.7651 83.8598 85.0625 PRESSAVG: 4675800 -48.2902 50.5544 12.6793 50.5544 -17.379 -2.91449 12.6793 -2.91453 82.6212 GPRESSAVG: 4675800 -47.5428 51.0115 13.1232 51.2989 -16.6928 -5.4861 12.0987 -0.322605 81.2101 TIMING: 4675800 CPU: 13587.1, 0.00291214/step Wall: 13587.1, 0.00291214/step, 0.262254 hours remaining, 208.343750 MB of memory in use. ENERGY: 4675800 733.5276 2083.4327 1950.5032 129.3601 -205621.8611 17586.9493 0.0000 0.0000 34479.8864 -148658.2020 301.1214 -183138.0883 -148558.0452 301.6617 -6.6286 26.2760 557287.5476 5.6507 5.6582 PRESSURE: 4676000 -118.937 60.2513 144.47 60.2513 -7.43498 -39.1404 144.47 -39.1396 -353.901 GPRESSURE: 4676000 -115.201 83.5575 94.3172 71.0136 6.20298 -39.5742 98.1562 -31.8424 -273.061 PRESSAVG: 4676000 -41.2198 13.7758 22.631 13.7757 4.97239 -28.053 22.6311 -28.0532 49.8727 GPRESSAVG: 4676000 -41.7184 12.64 22.0792 13.4246 4.36416 -26.6023 23.1419 -29.4383 51.6538 TIMING: 4676000 CPU: 13587.7, 0.00292049/step Wall: 13587.7, 0.00292049/step, 0.262844 hours remaining, 208.343750 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: 4676000 781.4172 2162.6708 1961.2883 113.7425 -205305.3684 17491.9963 0.0000 0.0000 34311.0835 -148483.1697 299.6472 -182794.2532 -148384.6748 300.9901 -160.0908 -127.3533 558097.0438 4.5418 4.7665 PRESSURE: 4676200 -169.516 -130.748 -119.11 -130.748 124.701 -19.0859 -119.109 -19.0871 -206.762 GPRESSURE: 4676200 -172.037 -173.694 -60.0511 -150.372 162.599 -21.2155 -149.465 -12.9894 -147.291 PRESSAVG: 4676200 0.78808 30.4115 26.9593 30.4114 9.70558 -39.7691 26.9592 -39.7692 -28.3542 GPRESSAVG: 4676200 0.362352 29.6333 26.5966 30.1047 9.94585 -41.256 27.7567 -39.7729 -28.4554 TIMING: 4676200 CPU: 13588.3, 0.00292429/step Wall: 13588.3, 0.00292429/step, 0.263024 hours remaining, 208.343750 MB of memory in use. ENERGY: 4676200 772.3606 2130.1925 1950.1001 108.5043 -205581.0995 17731.1320 0.0000 0.0000 34319.8126 -148568.9975 299.7235 -182888.8101 -148473.4072 300.6005 -83.8592 -52.2431 558597.7508 -5.9535 -6.0491 LDB: ============= START OF LOAD BALANCING ============== 13591.7 LDB: ============== END OF LOAD BALANCING =============== 13591.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13591.7 LDB: ============= START OF LOAD BALANCING ============== 13592 LDB: Largest compute 4848 load 0.030719 is 26.1% of average load 0.117922 LDB: Average compute 0.001733 is 1.5% of average load 0.117922 LDB: TIME 13592 LOAD: AVG 0.117922 MAX 0.18247 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 13592 LOAD: AVG 0.117922 MAX 0.18247 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 13592 LOAD: AVG 0.117922 MAX 0.18247 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: ============== END OF LOAD BALANCING =============== 13592 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13592 PRESSURE: 4676400 -89.502 111.43 38.0082 111.432 98.9778 122.943 38.0076 122.942 -68.7042 GPRESSURE: 4676400 -81.6285 127.063 -45.5162 160.834 153.398 138.203 33.997 91.7611 -29.7127 PRESSAVG: 4676400 -16.5483 -5.31683 11.9911 -5.31681 17.3344 -14.5883 11.991 -14.5883 -10.0559 GPRESSAVG: 4676400 -15.7695 -1.04792 12.9392 -7.27953 17.7115 -14.9255 10.4484 -16.1346 -11.1652 TIMING: 4676400 CPU: 13588.8, 0.00295798/step Wall: 13588.8, 0.00295798/step, 0.265889 hours remaining, 207.953125 MB of memory in use. ENERGY: 4676400 743.6053 2099.8591 1984.0084 110.8476 -205854.3322 17768.6631 0.0000 0.0000 34639.8108 -148507.5378 302.5181 -183147.3486 -148409.8258 301.0840 -19.7428 14.0189 558724.4790 -3.0899 -3.0744 PRESSURE: 4676600 -272.606 58.3143 -184.85 58.3154 105.699 -81.1101 -184.85 -81.1109 -65.3113 GPRESSURE: 4676600 -227.772 28.4642 -173.61 140.084 144.598 -118.67 -173.519 -23.7088 -68.024 PRESSAVG: 4676600 -15.2199 25.2188 -8.84202 25.2188 -3.63776 24.7649 -8.84206 24.7648 19.3384 GPRESSAVG: 4676600 -16.0874 23.1091 -8.66432 26.0629 -3.91695 26.1969 -8.54961 26.9123 19.7782 TIMING: 4676600 CPU: 13589.4, 0.00292221/step Wall: 13589.4, 0.00292221/step, 0.262512 hours remaining, 208.195312 MB of memory in use. ENERGY: 4676600 729.0605 2101.5063 1962.8394 111.4766 -205842.8090 17781.5827 0.0000 0.0000 34366.5067 -148789.8368 300.1313 -183156.3436 -148701.6214 300.9766 -77.4061 -50.3994 558667.7074 0.1603 -0.0754 PRESSURE: 4676800 -94.9889 -6.92336 14.5943 -6.92516 -43.7823 -50.5833 14.5953 -50.5836 -35.6985 GPRESSURE: 4676800 -57.1288 -102.186 -9.27623 53.489 -25.1312 51.1075 -38.5909 -135.639 20.6517 PRESSAVG: 4676800 -25.1179 -34.6698 -82.5907 -34.6698 -13.0754 21.2165 -82.5906 21.2163 59.765 GPRESSAVG: 4676800 -25.4856 -36.8652 -81.8918 -31.7252 -13.1771 22.3476 -82.831 19.8346 60.6127 TIMING: 4676800 CPU: 13590, 0.00290408/step Wall: 13590, 0.00290408/step, 0.260722 hours remaining, 208.195312 MB of memory in use. ENERGY: 4676800 768.7565 2108.9884 1940.2561 118.7775 -205972.6976 17810.3370 0.0000 0.0000 34315.7496 -148909.8326 299.6880 -183225.5821 -148817.7956 299.9761 -58.1566 -20.5361 558738.4079 7.1906 7.3167 PRESSURE: 4677000 -199.664 -63.2656 -42.4106 -63.2651 -17.0515 -8.60834 -42.4108 -8.60845 -254.731 GPRESSURE: 4677000 -205.986 38.5323 -23.9118 -177.555 21.8605 -22.1513 -36.4161 -37.3597 -211.041 PRESSAVG: 4677000 -20.3652 -59.2418 -21.8121 -59.2419 31.0584 20.158 -21.812 20.158 -1.28157 GPRESSAVG: 4677000 -21.1985 -56.7183 -21.7552 -61.2888 31.912 19.0071 -20.6303 20.2373 -1.49953 TIMING: 4677000 CPU: 13590.6, 0.00292667/step Wall: 13590.6, 0.00292667/step, 0.262587 hours remaining, 208.324219 MB of memory in use. ENERGY: 4677000 764.6311 2077.3807 1973.1616 111.2097 -205711.3540 17613.3589 0.0000 0.0000 34054.7749 -149116.8371 297.4088 -183171.6120 -149021.3559 300.2286 -157.1489 -131.7223 557566.2943 3.1372 3.0713 PRESSURE: 4677200 10.662 -4.83075 -136.57 -4.8326 168.932 9.51071 -136.569 9.51127 97.6327 GPRESSURE: 4677200 30.9689 -24.6619 -223.383 53.0619 243.828 -49.7035 -123.267 38.2403 90.254 PRESSAVG: 4677200 -5.40338 7.14235 -15.8466 7.14246 3.15102 -56.7155 -15.8466 -56.7156 -20.5973 GPRESSAVG: 4677200 -4.94332 9.04214 -17.1678 5.4056 3.20566 -57.3228 -16.1506 -55.1266 -21.1291 TIMING: 4677200 CPU: 13591.2, 0.00291565/step Wall: 13591.2, 0.00291565/step, 0.261436 hours remaining, 208.355469 MB of memory in use. ENERGY: 4677200 771.3572 2170.2339 1959.0942 125.2287 -206413.7336 17996.1388 0.0000 0.0000 34282.5560 -149109.1248 299.3981 -183391.6808 -149012.6605 299.6281 92.4091 121.6837 558205.7001 -7.6166 -7.6222 PRESSURE: 4677400 24.4219 56.9806 -80.2283 56.9819 -146.878 126.626 -80.2289 126.625 -250.971 GPRESSURE: 4677400 73.4997 57.1795 0.404677 34.6728 -140.756 36.3418 -169.257 130.95 -192.259 PRESSAVG: 4677400 -9.72805 -38.434 -38.2977 -38.434 -5.84452 19.9297 -38.2979 19.9297 44.7486 GPRESSAVG: 4677400 -8.44995 -41.7098 -37.609 -36.412 -6.05244 19.0885 -37.934 20.9192 43.7581 TIMING: 4677400 CPU: 13591.8, 0.0029275/step Wall: 13591.8, 0.0029275/step, 0.262336 hours remaining, 208.355469 MB of memory in use. ENERGY: 4677400 778.3697 2066.9767 1956.4666 116.0191 -206128.9068 17595.2793 0.0000 0.0000 34291.5529 -149324.2425 299.4767 -183615.7954 -149226.7580 298.6596 -124.4756 -86.5052 557750.5230 9.7253 9.7519 PRESSURE: 4677600 325.57 -116.708 -18.3982 -116.71 -214.194 52.9399 -18.398 52.9384 -54.2704 GPRESSURE: 4677600 409.636 -150.795 12.9871 -55.1669 -237.939 2.21551 3.66655 30.9392 -20.0318 PRESSAVG: 4677600 64.4389 -24.0866 -0.15247 -24.0866 -69.089 37.2996 -0.152524 37.2997 -18.1115 GPRESSAVG: 4677600 63.5744 -23.0605 0.250953 -23.7324 -68.5549 38.4366 -1.60222 34.044 -17.44 TIMING: 4677600 CPU: 13592.4, 0.00292897/step Wall: 13592.4, 0.00292897/step, 0.262306 hours remaining, 208.355469 MB of memory in use. ENERGY: 4677600 752.7258 2044.3098 1982.1854 111.0759 -206729.2032 18058.7761 0.0000 0.0000 34406.9605 -149373.1698 300.4845 -183780.1303 -149274.1346 299.4800 19.0352 50.5551 558341.3118 -7.5872 -7.4735 PRESSURE: 4677800 -60.8254 -69.6048 -151.378 -69.6045 -19.286 47.7861 -151.379 47.7843 -15.0522 GPRESSURE: 4677800 -0.110726 -156.399 -151.367 -32.2191 -10.6661 65.3068 -123.347 20.0899 18.0183 PRESSAVG: 4677800 -18.4258 -48.3661 -1.40905 -48.366 -73.2816 18.3672 -1.40903 18.3672 100.84 GPRESSAVG: 4677800 -18.9202 -48.422 -0.567643 -48.8049 -73.1031 18.419 -0.888938 18.8842 101.426 TIMING: 4677800 CPU: 13592.9, 0.00292556/step Wall: 13592.9, 0.00292556/step, 0.261837 hours remaining, 208.355469 MB of memory in use. ENERGY: 4677800 760.8188 2064.4562 1971.7386 110.2581 -206535.4969 17888.8383 0.0000 0.0000 34279.1275 -149460.2593 299.3681 -183739.3868 -149369.5792 299.4983 -31.7212 2.4138 556376.5125 3.0442 3.1343 PRESSURE: 4678000 38.1778 55.1664 -19.7473 55.1662 81.1134 37.3823 -19.7482 37.3828 61.8698 GPRESSURE: 4678000 87.3712 -22.1558 25.2204 103.757 170.585 78.4203 8.73148 -34.4857 4.83208 PRESSAVG: 4678000 52.7497 -37.2711 26.4463 -37.2711 -37.8425 13.8393 26.4464 13.8393 18.9672 GPRESSAVG: 4678000 53.1248 -37.4421 26.0817 -36.5452 -37.1487 14.6731 27.5604 14.322 18.0544 TIMING: 4678000 CPU: 13593.5, 0.00291416/step Wall: 13593.5, 0.00291416/step, 0.260656 hours remaining, 208.355469 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: 4678000 696.4625 2081.6901 1967.1484 100.9444 -206321.5671 17751.3966 0.0000 0.0000 34442.1842 -149281.7409 300.7922 -183723.9251 -149184.6692 299.3899 60.3870 87.5960 556867.8978 11.2915 11.3435 PRESSURE: 4678200 -70.2856 11.9122 29.5154 11.9123 211.572 61.2264 29.5151 61.2262 125.259 GPRESSURE: 4678200 -30.9189 23.6295 -27.7934 74.3623 227.036 130.128 52.0136 67.8858 170.248 PRESSAVG: 4678200 -6.62432 -66.3964 27.2799 -66.3964 11.2097 32.424 27.2799 32.424 1.37147 GPRESSAVG: 4678200 -7.24828 -66.8728 25.0362 -68.5431 11.3196 31.9568 27.162 31.4306 2.62656 TIMING: 4678200 CPU: 13594.1, 0.00292248/step Wall: 13594.1, 0.00292248/step, 0.261237 hours remaining, 208.355469 MB of memory in use. ENERGY: 4678200 757.0101 2117.4921 1942.9818 106.7810 -206488.6128 18076.0912 0.0000 0.0000 34228.5672 -149259.6894 298.9266 -183488.2566 -149164.8280 299.4578 88.8484 122.1219 556589.0488 1.9856 2.2326 PRESSURE: 4678400 27.0056 -339.661 151.424 -339.661 -335.961 -71.627 151.423 -71.6283 -0.999015 GPRESSURE: 4678400 30.6776 -311.055 105.618 -370.186 -343.413 -74.8993 133.23 -46.286 104.141 PRESSAVG: 4678400 -8.99409 -54.359 2.92237 -54.3591 24.9778 -21.1415 2.92231 -21.1414 5.31231 GPRESSAVG: 4678400 -8.31911 -54.0043 4.47597 -51.7384 24.6638 -20.8487 3.21652 -19.9813 4.96768 TIMING: 4678400 CPU: 13594.7, 0.0029391/step Wall: 13594.7, 0.0029391/step, 0.26256 hours remaining, 208.355469 MB of memory in use. ENERGY: 4678400 766.0968 2104.9573 1954.5834 114.1634 -206345.8868 17709.3723 0.0000 0.0000 34382.7153 -149313.9984 300.2728 -183696.7137 -149225.7886 298.9583 -103.3181 -69.5315 557337.3530 7.0987 7.1041 PRESSURE: 4678600 208.35 -63.1102 -145.984 -63.1097 204.928 145.588 -145.984 145.588 98.3368 GPRESSURE: 4678600 210.277 -49.9068 -211.35 -80.0659 255.225 72.2412 -165.2 197.656 128.205 PRESSAVG: 4678600 33.3886 -81.1366 -1.03292 -81.1366 -81.3966 51.6689 -1.03277 51.6689 33.1783 GPRESSAVG: 4678600 32.7411 -79.8421 -1.54652 -83.3798 -80.9501 49.8733 -0.796546 53.1398 33.1988 TIMING: 4678600 CPU: 13595.3, 0.00293465/step Wall: 13595.3, 0.00293465/step, 0.261999 hours remaining, 208.355469 MB of memory in use. ENERGY: 4678600 717.8261 2089.4464 1973.2493 106.0565 -206423.6929 18016.2122 0.0000 0.0000 34078.4139 -149442.4885 297.6153 -183520.9023 -149336.6493 298.8966 170.5384 197.9025 557266.0410 -4.9432 -5.0034 PRESSURE: 4678800 81.8156 42.8027 103.825 42.8034 117.002 -169.832 103.826 -169.83 -142.335 GPRESSURE: 4678800 115.237 103.861 133.511 62.4155 141.405 -122.969 67.5585 -219.953 -113.716 PRESSAVG: 4678800 -2.46017 -8.8229 -70.0595 -8.82289 -24.1611 30.6594 -70.0595 30.6594 20.3631 GPRESSAVG: 4678800 -2.3319 -11.1409 -69.0711 -8.07165 -24.3398 31.1642 -70.4175 29.3304 20.4998 TIMING: 4678800 CPU: 13595.9, 0.00291848/step Wall: 13595.9, 0.00291848/step, 0.260394 hours remaining, 208.355469 MB of memory in use. ENERGY: 4678800 730.5543 2097.2482 1959.3744 125.1965 -206464.7977 17924.1188 0.0000 0.0000 34236.7184 -149391.5870 298.9978 -183628.3054 -149290.2725 298.4434 18.8276 47.6416 557555.3296 -2.0861 -2.0573 PRESSURE: 4679000 -99.3259 -47.75 -121.637 -47.748 0.705764 113.309 -121.639 113.31 -81.3381 GPRESSURE: 4679000 -59.7607 -68.6274 -168.86 -47.4572 54.4524 80.1968 -112.202 120.914 -74.7684 PRESSAVG: 4679000 16.5414 -15.9459 19.2685 -15.9459 3.65666 4.62914 19.2685 4.62921 -17.4485 GPRESSAVG: 4679000 17.0557 -14.8845 18.4872 -18.1862 4.0483 4.50125 17.8206 4.62414 -18.3271 TIMING: 4679000 CPU: 13596.4, 0.00294343/step Wall: 13596.4, 0.00294343/step, 0.262456 hours remaining, 208.355469 MB of memory in use. ENERGY: 4679000 727.0303 2059.7556 1995.5403 114.9473 -206364.2864 17813.2491 0.0000 0.0000 34305.7429 -149348.0209 299.6006 -183653.7638 -149249.9179 298.8663 -59.9861 -26.6922 557915.0086 0.9165 0.9256 PRESSURE: 4679200 -16.082 186.089 92.0377 186.09 217.605 153.192 92.0371 153.192 -117.028 GPRESSURE: 4679200 -5.36772 230.891 -18.975 71.6845 247.662 182.467 106.14 111.785 -66.5183 PRESSAVG: 4679200 -12.5359 45.1949 72.1348 45.1949 13.4889 25.3561 72.1347 25.3561 31.6101 GPRESSAVG: 4679200 -12.3665 46.3322 71.4756 45.29 11.833 25.9068 72.1892 25.797 32.9929 TIMING: 4679200 CPU: 13597, 0.00290872/step Wall: 13597, 0.00290872/step, 0.259199 hours remaining, 208.355469 MB of memory in use. ENERGY: 4679200 734.6105 2062.2840 1970.4698 122.3296 -206330.9645 17867.7883 0.0000 0.0000 34371.8985 -149201.5837 300.1783 -183573.4823 -149107.8515 298.6804 28.1653 58.5919 555812.1957 10.8544 10.8198 PRESSURE: 4679400 80.6764 -207.298 82.9242 -207.297 162.716 -165.769 82.9246 -165.768 -76.1496 GPRESSURE: 4679400 158.194 -182.286 63.6292 -209.07 171.487 -77.1679 143.522 -160.065 -60.6356 PRESSAVG: 4679400 -18.4002 -5.97606 33.8981 -5.97602 58.6424 -28.5127 33.8981 -28.5127 1.97611 GPRESSAVG: 4679400 -19.3426 -5.48968 34.4237 -5.01896 59.6695 -28.9153 35.5142 -25.9532 2.57137 TIMING: 4679400 CPU: 13597.6, 0.00291423/step Wall: 13597.6, 0.00291423/step, 0.259528 hours remaining, 208.355469 MB of memory in use. ENERGY: 4679400 745.2524 2091.4674 1986.4783 97.1548 -206101.4874 17866.2803 0.0000 0.0000 34276.2971 -149038.5571 299.3434 -183314.8541 -148951.5866 300.2277 55.7477 89.6819 556773.9397 14.0728 14.2994 PRESSURE: 4679600 -206.393 39.4244 83.8852 39.4249 -146.204 -196.859 83.8841 -196.86 56.4818 GPRESSURE: 4679600 -177.768 42.4283 71.5416 3.76976 -105.695 -217.133 139.358 -185.679 94.0135 PRESSAVG: 4679600 -1.3946 -8.89457 20.9468 -8.89459 11.5697 -45.2453 20.9468 -45.2452 1.78186 GPRESSAVG: 4679600 -0.487533 -10.722 19.8744 -6.78537 11.2552 -45.7564 20.5238 -47.2095 1.11478 TIMING: 4679600 CPU: 13598.2, 0.00289128/step Wall: 13598.2, 0.00289128/step, 0.257324 hours remaining, 208.355469 MB of memory in use. ENERGY: 4679600 796.0064 2072.9123 1973.3000 112.6685 -206295.4643 17831.2001 0.0000 0.0000 34455.3450 -149054.0320 300.9071 -183509.3769 -148958.9231 299.8770 -98.7048 -63.1501 556355.6945 3.9856 3.9608 PRESSURE: 4679800 -198.758 -70.0429 -21.0893 -70.0423 -282.499 158.632 -21.0903 158.634 -103.768 GPRESSURE: 4679800 -205.872 -41.6424 16.1141 -62.3727 -225.469 210.947 -78.9291 138.839 -69.6899 PRESSAVG: 4679800 36.4283 31.3051 -5.22225 31.305 39.6603 -36.0086 -5.22221 -36.0085 -9.89059 GPRESSAVG: 4679800 35.6726 32.2312 -3.68085 31.2603 39.6142 -35.6282 -5.50237 -35.6432 -8.72901 TIMING: 4679800 CPU: 13598.8, 0.00290675/step Wall: 13598.8, 0.00290675/step, 0.25854 hours remaining, 208.355469 MB of memory in use. ENERGY: 4679800 746.7039 2066.1107 1962.0831 118.0033 -205502.2246 17345.3139 0.0000 0.0000 34057.0941 -149206.9157 297.4291 -183264.0098 -149106.1495 299.6552 -195.0086 -167.0100 557782.2781 22.0660 22.1859 PRESSURE: 4680000 62.8392 33.2163 53.2506 33.2161 40.6676 -68.0776 53.2516 -68.0775 9.55415 GPRESSURE: 4680000 76.1711 15.0221 95.2797 89.8283 64.7177 -148.554 63.2211 -61.9201 64.1733 PRESSAVG: 4680000 -29.0967 5.30999 25.1248 5.30998 23.1311 -35.4149 25.1248 -35.4149 0.290941 GPRESSAVG: 4680000 -26.9336 3.64714 27.1146 6.10904 22.4214 -35.846 24.1177 -35.6318 -1.05892 TIMING: 4680000 CPU: 13599.4, 0.00291458/step Wall: 13599.4, 0.00291458/step, 0.259074 hours remaining, 208.355469 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: 4680000 735.8862 2121.1522 1953.4477 108.1491 -206061.4994 17805.3604 0.0000 0.0000 34153.2550 -149184.2488 298.2689 -183337.5037 -149076.7273 299.1510 37.6870 68.3540 557221.8939 -1.8915 -1.8571 PRESSURE: 4680200 -199.21 72.707 114.797 72.7072 -515.124 -13.9514 114.797 -13.95 -89.7237 GPRESSURE: 4680200 -164.93 128.002 44.3914 110.103 -481.707 -43.6153 113.966 -21.2544 -54.1603 PRESSAVG: 4680200 -40.2566 20.3769 0.27521 20.3768 24.9213 1.28084 0.275338 1.28088 23.7906 GPRESSAVG: 4680200 -41.2617 20.5465 -2.45735 20.7206 25.6321 1.84508 2.19444 -0.551401 24.491 TIMING: 4680200 CPU: 13599.9, 0.00288609/step Wall: 13599.9, 0.00288609/step, 0.256381 hours remaining, 208.355469 MB of memory in use. ENERGY: 4680200 737.5964 2116.2758 1969.3430 118.1777 -205645.2022 17502.5171 0.0000 0.0000 34216.9138 -148984.3785 298.8248 -183201.2922 -148890.8838 299.9627 -268.0193 -233.5990 558388.5668 2.8184 2.9538 LDB: ============= START OF LOAD BALANCING ============== 13603.4 LDB: ============== END OF LOAD BALANCING =============== 13603.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13603.4 LDB: ============= START OF LOAD BALANCING ============== 13603.7 LDB: Largest compute 4848 load 0.030215 is 25.6% of average load 0.117942 LDB: Average compute 0.001733 is 1.5% of average load 0.117942 LDB: TIME 13603.7 LOAD: AVG 0.117942 MAX 0.186753 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.906 MB LDB: TIME 13603.7 LOAD: AVG 0.117942 MAX 0.186753 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: TIME 13603.7 LOAD: AVG 0.117942 MAX 0.186753 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13603.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13603.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 4680400 -91.632 50.2629 -197.679 50.2635 14.0397 107.838 -197.68 107.838 12.7034 GPRESSURE: 4680400 -37.0118 135.491 -245.795 106.136 76.8785 141.727 -241.729 132.515 4.16819 PRESSAVG: 4680400 3.92871 67.6698 -70.7478 67.6699 13.9494 56.0803 -70.7479 56.0804 25.1215 GPRESSAVG: 4680400 4.7079 68.9484 -69.7111 65.0002 13.9965 56.0096 -71.0162 57.963 24.2129 TIMING: 4680400 CPU: 13600.5, 0.00296665/step Wall: 13600.5, 0.00296665/step, 0.263372 hours remaining, 207.472656 MB of memory in use. ENERGY: 4680400 717.9625 2034.5941 1963.1109 98.8645 -205958.3413 17810.2148 0.0000 0.0000 34325.8012 -149007.7933 299.7758 -183333.5945 -148906.8521 300.1175 -21.6297 14.6783 559196.2001 14.3332 14.3058 PRESSURE: 4680600 -242.587 -56.6369 -150.493 -56.6366 13.9609 -140.987 -150.493 -140.987 -61.9576 GPRESSURE: 4680600 -200.932 34.7486 -108.899 -99.458 43.7961 -139.912 -159.258 -119.071 -42.4614 PRESSAVG: 4680600 14.6171 45.7794 -44.7268 45.7793 -16.8783 -10.1566 -44.7267 -10.1565 -23.2643 GPRESSAVG: 4680600 14.3423 46.7083 -44.171 45.1732 -17.3004 -8.64572 -46.2777 -10.2383 -23.0322 TIMING: 4680600 CPU: 13601.1, 0.00290713/step Wall: 13601.1, 0.00290713/step, 0.257927 hours remaining, 207.675781 MB of memory in use. ENERGY: 4680600 754.4817 2091.0888 1953.1179 113.1278 -206075.4153 17733.9113 0.0000 0.0000 34430.2015 -148999.4862 300.6875 -183429.6877 -148901.6123 299.8319 -96.8611 -66.5326 559175.2803 -8.5085 -8.6635 PRESSURE: 4680800 -228.587 -46.0102 -86.1179 -46.0105 -134.716 -193.245 -86.1172 -193.245 -9.36741 GPRESSURE: 4680800 -178.809 -8.40582 -170.638 -64.0128 -101.287 -157.497 -23.0465 -221.82 -12.8325 PRESSAVG: 4680800 -29.6093 61.7673 -27.21 61.7674 91.3676 -6.03758 -27.21 -6.03757 -20.8484 GPRESSAVG: 4680800 -29.4805 61.8683 -28.5767 61.1985 91.3171 -7.58354 -27.0047 -5.14985 -20.9792 TIMING: 4680800 CPU: 13601.7, 0.00292006/step Wall: 13601.7, 0.00292006/step, 0.258912 hours remaining, 207.675781 MB of memory in use. ENERGY: 4680800 739.7870 2034.9615 1989.8136 108.0230 -205915.8238 17607.6345 0.0000 0.0000 34566.6275 -148868.9766 301.8790 -183435.6042 -148764.0413 299.7116 -124.2237 -97.6429 557350.5031 13.6367 13.6191 PRESSURE: 4681000 -167.984 33.955 122.699 33.9551 -250.445 -166.825 122.701 -166.824 -220.053 GPRESSURE: 4681000 -121.707 110.62 211.978 -90.0595 -219.623 -166.885 150.158 -140.898 -197.557 PRESSAVG: 4681000 -83.7848 39.1171 -3.07279 39.1171 24.326 -12.6039 -3.07278 -12.6039 31.9826 GPRESSAVG: 4681000 -84.4069 38.5194 -2.27705 40.6734 25.4627 -11.2459 -3.06131 -13.3505 31.6929 TIMING: 4681000 CPU: 13602.3, 0.002912/step Wall: 13602.3, 0.002912/step, 0.258036 hours remaining, 207.675781 MB of memory in use. ENERGY: 4681000 739.7653 2058.4740 1937.6818 99.2038 -205820.5077 17572.9246 0.0000 0.0000 34557.5388 -148854.9193 301.7996 -183412.4581 -148755.5779 300.0618 -212.8275 -179.6290 557167.0076 -9.1587 -9.0837 PRESSURE: 4681200 153.265 53.5496 41.6607 53.5497 -29.3124 242.603 41.6611 242.604 -48.0386 GPRESSURE: 4681200 194.279 73.9688 61.7463 30.926 -26.6444 352.792 56.058 124.594 13.3241 PRESSAVG: 4681200 30.9368 -30.4949 -18.9804 -30.4948 10.2558 -24.9948 -18.9804 -24.9946 -14.357 GPRESSAVG: 4681200 30.6685 -31.3358 -20.1938 -32.5005 9.85369 -23.842 -17.9559 -27.1305 -12.9995 TIMING: 4681200 CPU: 13602.9, 0.00291532/step Wall: 13602.9, 0.00291532/step, 0.258168 hours remaining, 207.675781 MB of memory in use. ENERGY: 4681200 723.2852 2117.8651 1957.0162 105.5630 -205888.4244 17710.8583 0.0000 0.0000 34473.2824 -148800.5542 301.0637 -183273.8365 -148699.5683 300.9281 25.3046 60.3194 558710.3054 8.9452 9.1742 PRESSURE: 4681400 -146.246 158.595 32.2392 158.596 124.191 23.9822 32.2382 23.9817 202.465 GPRESSURE: 4681400 -102.958 145.428 11.3041 148.429 156.798 113.281 111.802 -80.3043 222.23 PRESSAVG: 4681400 17.2413 -13.0363 50.4418 -13.0363 -36.1625 37.0571 50.4419 37.0572 -19.5134 GPRESSAVG: 4681400 18.6862 -12.5356 51.1535 -12.5504 -36.9013 35.4611 49.632 35.0909 -19.6793 TIMING: 4681400 CPU: 13603.4, 0.0029187/step Wall: 13603.4, 0.0029187/step, 0.258305 hours remaining, 207.675781 MB of memory in use. ENERGY: 4681400 745.8114 2059.9890 1966.0145 114.3269 -205972.6509 17933.4525 0.0000 0.0000 34319.7911 -148833.2655 299.7233 -183153.0566 -148736.0863 300.6275 60.1368 92.0234 557495.7851 -12.8115 -12.6315 PRESSURE: 4681600 -51.6435 -175.093 -43.7839 -175.092 -100.554 84.4248 -43.786 84.4251 -30.264 GPRESSURE: 4681600 4.51019 -109.8 -30.2476 -235.28 -49.5645 64.9629 -51.7545 118.297 -57.8438 PRESSAVG: 4681600 8.82224 23.0201 14.1094 23.0201 -32.7168 62.0014 14.1094 62.0013 9.1787 GPRESSAVG: 4681600 9.76347 23.167 12.3435 23.1549 -32.8734 62.4388 15.3647 65.1037 8.10787 TIMING: 4681600 CPU: 13604, 0.00289906/step Wall: 13604, 0.00289906/step, 0.256406 hours remaining, 207.675781 MB of memory in use. ENERGY: 4681600 812.5911 2060.1648 1960.5653 100.2367 -205913.3251 17816.3441 0.0000 0.0000 34477.4944 -148685.9287 301.1005 -183163.4231 -148590.1345 300.5497 -60.8204 -34.2994 558186.3100 -4.9053 -5.0007 PRESSURE: 4681800 -139.428 -2.01684 81.646 -2.01835 -257.968 -12.6899 81.6464 -12.6895 -225.237 GPRESSURE: 4681800 -90.3774 97.5624 132.853 -85.1186 -221.589 -22.0764 77.9144 -61.6284 -198.013 PRESSAVG: 4681800 0.611299 -2.60333 32.4838 -2.60331 -21.0611 12.3967 32.4837 12.3966 19.8892 GPRESSAVG: 4681800 -0.345167 -3.19738 33.8972 -2.56636 -20.8254 11.7548 33.0179 10.3471 20.2215 TIMING: 4681800 CPU: 13604.6, 0.00289849/step Wall: 13604.6, 0.00289849/step, 0.256194 hours remaining, 207.675781 MB of memory in use. ENERGY: 4681800 762.2063 2064.1723 1989.3126 123.8536 -205526.5642 17425.2448 0.0000 0.0000 34496.9366 -148664.8380 301.2703 -183161.7746 -148563.1888 301.0877 -207.5444 -169.9929 558023.9142 -0.1869 -0.3164 PRESSURE: 4682000 -98.001 -164.236 -95.2339 -164.235 -102.268 -22.9669 -95.2333 -22.967 39.6096 GPRESSURE: 4682000 -78.5995 -132.227 -46.8838 -236.854 -54.9415 -61.2728 -106.663 30.8453 72.1575 PRESSAVG: 4682000 -40.6005 -58.2305 27.5311 -58.2305 -30.8714 6.37962 27.5311 6.37966 56.6739 GPRESSAVG: 4682000 -40.2021 -58.3761 28.1626 -56.8736 -30.5926 4.76772 25.9331 9.88804 56.2538 TIMING: 4682000 CPU: 13605.2, 0.00290234/step Wall: 13605.2, 0.00290234/step, 0.256373 hours remaining, 207.675781 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: 4682000 713.0053 2128.7311 1983.8164 108.7663 -205793.4571 17598.8866 0.0000 0.0000 34638.0694 -148622.1821 302.5029 -183260.2515 -148527.7805 301.6991 -53.5531 -20.4612 557483.2943 -4.9327 -4.8470 PRESSURE: 4682200 262.221 -44.2466 -78.8373 -44.2463 -7.16215 101.859 -78.8373 101.86 171.012 GPRESSURE: 4682200 267.137 -49.0962 -72.7086 21.4197 45.7146 159.149 -108.767 123.551 206.714 PRESSAVG: 4682200 -22.3942 -19.8613 -29.1774 -19.8612 -33.3347 12.1161 -29.1773 12.1161 90.963 GPRESSAVG: 4682200 -23.071 -18.5594 -30.5371 -21.9529 -34.1832 14.3454 -29.5398 9.20422 91.7767 TIMING: 4682200 CPU: 13605.8, 0.00293024/step Wall: 13605.8, 0.00293024/step, 0.258675 hours remaining, 207.675781 MB of memory in use. ENERGY: 4682200 745.2121 2058.1124 1964.7987 112.7059 -205885.5691 17808.1395 0.0000 0.0000 34239.1774 -148957.4231 299.0193 -183196.6004 -148874.7890 300.4276 142.0234 173.1885 556464.1906 11.7447 11.5075 PRESSURE: 4682400 187.997 -204.309 211.697 -204.311 0.53057 -125.29 211.698 -125.289 26.1468 GPRESSURE: 4682400 222.316 -135.122 179.219 -308.068 2.32047 -112.216 243.48 -149.306 84.3496 PRESSAVG: 4682400 11.7667 0.850366 -17.9105 0.850328 -54.8055 -13.073 -17.9104 -13.0729 27.8215 GPRESSAVG: 4682400 11.596 2.04068 -16.6613 -1.05742 -54.5416 -13.2626 -17.2556 -13.8376 27.8472 TIMING: 4682400 CPU: 13606.4, 0.00291663/step Wall: 13606.4, 0.00291663/step, 0.257312 hours remaining, 207.785156 MB of memory in use. ENERGY: 4682400 733.0803 2084.6662 1954.1114 102.5829 -206339.1028 18080.6339 0.0000 0.0000 34280.2274 -149103.8007 299.3778 -183384.0281 -149006.6825 299.5148 71.5582 102.9954 559699.8515 -5.0724 -5.0328 PRESSURE: 4682600 -139.313 -39.6169 18.5239 -39.6169 -383.518 -145.409 18.5228 -145.408 -46.6133 GPRESSURE: 4682600 -64.3624 -60.3134 92.454 23.0472 -362.829 -156.349 -40.9713 -51.2804 -60.9561 PRESSAVG: 4682600 12.1292 -23.1684 68.8158 -23.1684 -48.0657 -11.0112 68.8157 -11.0111 53.7342 GPRESSAVG: 4682600 11.6386 -24.2959 69.2679 -21.5615 -48.4519 -10.644 67.8702 -8.85594 54.1324 TIMING: 4682600 CPU: 13606.9, 0.00291115/step Wall: 13606.9, 0.00291115/step, 0.256667 hours remaining, 207.785156 MB of memory in use. ENERGY: 4682600 751.2473 2106.2010 1941.3617 105.2999 -205859.1936 17633.8087 0.0000 0.0000 34464.7715 -148856.5035 300.9894 -183321.2750 -148763.5207 300.0256 -189.8145 -162.7159 559755.9348 5.9326 5.7730 PRESSURE: 4682800 125.744 32.4411 45.4259 32.4409 -1.4689 -23.5705 45.4257 -23.5699 78.3127 GPRESSURE: 4682800 151.833 23.1493 60.7202 -2.17463 30.6212 -98.2549 22.929 -25.2095 113.008 PRESSAVG: 4682800 -53.4857 36.5762 32.975 36.5763 -7.6361 -113.777 32.9749 -113.777 15.2441 GPRESSAVG: 4682800 -53.7138 34.2652 33.9235 38.6259 -6.75506 -115.443 32.6079 -114.237 14.7139 TIMING: 4682800 CPU: 13607.5, 0.002946/step Wall: 13607.5, 0.002946/step, 0.259575 hours remaining, 207.785156 MB of memory in use. ENERGY: 4682800 728.7949 2146.6156 1959.0523 104.4509 -205985.3666 17850.3030 0.0000 0.0000 34322.0051 -148874.1449 299.7426 -183196.1500 -148774.1762 299.8786 67.5292 98.4874 559741.7485 -15.2925 -15.2517 PRESSURE: 4683000 61.9709 43.0552 7.94503 43.0547 70.3827 -44.4941 7.94551 -44.4934 187.505 GPRESSURE: 4683000 132.73 49.8178 -12.1472 58.1445 96.3272 -72.8376 0.64905 -17.9728 182.61 PRESSAVG: 4683000 -32.376 -13.9551 72.9591 -13.9551 -8.34676 -17.1917 72.9591 -17.1918 43.25 GPRESSAVG: 4683000 -32.5639 -12.3887 74.1139 -16.9841 -8.4776 -17.5758 72.8363 -15.9067 43.7113 TIMING: 4683000 CPU: 13608.1, 0.00293092/step Wall: 13608.1, 0.00293092/step, 0.258084 hours remaining, 207.785156 MB of memory in use. ENERGY: 4683000 742.8093 2092.8080 1948.5398 109.0830 -205969.5601 17940.7510 0.0000 0.0000 34337.2765 -148798.2925 299.8760 -183135.5689 -148701.0738 300.5072 106.6194 137.2222 559232.2626 0.8424 0.8899 PRESSURE: 4683200 -70.8133 -43.6313 -108.237 -43.6312 198.905 4.82965 -108.237 4.82972 90.4398 GPRESSURE: 4683200 -45.9377 5.04824 -46.5473 -120.622 255.692 27.7892 -109.712 -79.4353 98.7814 PRESSAVG: 4683200 18.8469 -17.8811 13.9281 -17.8811 6.04402 -14.1406 13.9282 -14.1407 18.2766 GPRESSAVG: 4683200 20.4934 -18.4767 11.9727 -14.2068 5.2769 -11.2937 14.5199 -15.6044 16.6096 TIMING: 4683200 CPU: 13608.7, 0.00293421/step Wall: 13608.7, 0.00293421/step, 0.25821 hours remaining, 207.785156 MB of memory in use. ENERGY: 4683200 769.6916 2139.7938 1938.6347 99.8671 -205989.2176 17812.7768 0.0000 0.0000 34421.5910 -148806.8626 300.6123 -183228.4536 -148712.4764 300.5819 72.8437 102.8453 558634.4917 14.3892 14.1266 PRESSURE: 4683400 30.6331 -114.476 107.747 -114.474 90.988 -29.8082 107.746 -29.8069 -381.85 GPRESSURE: 4683400 65.3864 -85.145 105.745 -119.5 104.669 6.30644 116.544 -125.271 -336.426 PRESSAVG: 4683400 -26.3067 -21.1923 49.4398 -21.1922 85.9888 -17.8471 49.4399 -17.8473 -56.8703 GPRESSAVG: 4683400 -27.4749 -21.8931 49.5269 -21.3875 86.1903 -19.0673 48.4122 -16.1169 -55.3665 TIMING: 4683400 CPU: 13609.3, 0.00292352/step Wall: 13609.3, 0.00292352/step, 0.257107 hours remaining, 207.785156 MB of memory in use. ENERGY: 4683400 701.3982 2114.4272 1948.0262 113.8957 -205629.9793 17551.5987 0.0000 0.0000 34453.2136 -148747.4198 300.8885 -183200.6334 -148647.4470 300.7205 -86.7429 -55.4569 559599.8572 0.9372 1.1163 PRESSURE: 4683600 -88.1597 1.54401 -54.1874 1.54333 -227.329 -12.7848 -54.187 -12.7862 -237.323 GPRESSURE: 4683600 -59.4574 -20.6881 -68.8531 -11.844 -178.711 13.7657 -48.1686 -30.5963 -221.128 PRESSAVG: 4683600 -40.2229 16.7136 51.2289 16.7137 42.6011 14.717 51.2289 14.717 -39.0924 GPRESSAVG: 4683600 -39.9664 16.8108 50.4396 16.2943 42.1494 13.5843 52.2533 13.9406 -39.2001 TIMING: 4683600 CPU: 13609.9, 0.00290933/step Wall: 13609.9, 0.00290933/step, 0.255698 hours remaining, 207.785156 MB of memory in use. ENERGY: 4683600 719.9380 2127.6876 1959.5973 110.8300 -205785.7268 17475.2319 0.0000 0.0000 34463.7641 -148928.6779 300.9806 -183392.4421 -148822.4714 300.3916 -184.2704 -153.0990 558579.0130 -12.2381 -12.3390 PRESSURE: 4683800 -84.7957 62.5169 1.62095 62.5166 -205.643 -62.8001 1.62159 -62.7988 125.668 GPRESSURE: 4683800 -29.2091 68.7794 -28.463 79.0947 -186.841 -50.2852 -19.0503 -67.1725 139.178 PRESSAVG: 4683800 -0.778508 -18.1512 -2.60619 -18.1511 -7.63052 1.18605 -2.60621 1.18612 -19.941 GPRESSAVG: 4683800 -0.782322 -17.6506 -0.366882 -18.536 -6.814 0.963734 -3.46919 2.97258 -20.2516 TIMING: 4683800 CPU: 13610.4, 0.00292767/step Wall: 13610.4, 0.00292767/step, 0.257147 hours remaining, 207.785156 MB of memory in use. ENERGY: 4683800 772.9484 2117.3568 1953.1261 110.5583 -205789.3408 17657.1368 0.0000 0.0000 34008.2074 -149170.0069 297.0021 -183178.2144 -149077.4918 299.2973 -54.9236 -25.6240 557676.1157 -9.4500 -9.2826 PRESSURE: 4684000 -84.2015 -75.282 145.204 -75.2819 85.5087 63.1964 145.204 63.1982 96.2761 GPRESSURE: 4684000 -66.7749 36.6727 81.4114 -164.856 109.164 49.2018 98.5233 -16.5762 149.638 PRESSAVG: 4684000 -9.64485 -39.5038 10.6945 -39.5037 3.86966 -19.5136 10.6946 -19.5136 18.2324 GPRESSAVG: 4684000 -9.95986 -40.8965 7.47017 -39.8008 4.65933 -19.1779 13.2884 -20.3868 17.9648 TIMING: 4684000 CPU: 13611, 0.00291979/step Wall: 13611, 0.00291979/step, 0.256292 hours remaining, 207.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4684000 732.9480 2145.6666 1959.3330 121.8010 -206513.5612 17978.5421 0.0000 0.0000 34174.6464 -149400.6241 298.4557 -183575.2705 -149303.7221 298.4834 32.5278 64.0090 557020.2380 4.1524 4.2214 PRESSURE: 4684200 -36.1585 -43.1545 101.241 -43.1537 -277.527 -54.4094 101.24 -54.41 -337.328 GPRESSURE: 4684200 -47.0655 -13.9612 139.245 -40.0237 -258.441 -53.6586 92.9321 -29.2532 -266.724 PRESSAVG: 4684200 23.818 -14.8637 -0.392071 -14.8637 -49.4346 -87.8718 -0.391968 -87.8718 49.1228 GPRESSAVG: 4684200 23.2795 -12.9984 1.27343 -14.5538 -50.5486 -86.2462 -1.66364 -89.843 50.8588 TIMING: 4684200 CPU: 13611.6, 0.00290448/step Wall: 13611.6, 0.00290448/step, 0.254788 hours remaining, 207.785156 MB of memory in use. ENERGY: 4684200 715.1252 2162.4585 1957.5163 111.5789 -205911.8457 17375.7295 0.0000 0.0000 33901.9176 -149687.5197 296.0739 -183589.4373 -149593.2893 298.6882 -217.0045 -190.7433 557508.0283 7.8354 7.8632 LDB: ============= START OF LOAD BALANCING ============== 13615.1 LDB: ============== END OF LOAD BALANCING =============== 13615.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13615.1 LDB: ============= START OF LOAD BALANCING ============== 13615.4 LDB: Largest compute 4848 load 0.032000 is 27.2% of average load 0.117854 LDB: Average compute 0.001735 is 1.5% of average load 0.117854 LDB: TIME 13615.4 LOAD: AVG 0.117854 MAX 0.183879 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.746 MB LDB: TIME 13615.4 LOAD: AVG 0.117854 MAX 0.183879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: TIME 13615.4 LOAD: AVG 0.117854 MAX 0.183879 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13615.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13615.4 PRESSURE: 4684400 213.893 80.5976 -164.119 80.598 310.485 54.9948 -164.119 54.9954 302.511 GPRESSURE: 4684400 226.599 115.1 -151.118 2.65989 365.871 46.3345 -96.4791 58.9155 328.358 PRESSAVG: 4684400 2.36118 -26.6022 -24.4191 -26.6022 3.34618 -18.4266 -24.4191 -18.4266 -4.85078 GPRESSAVG: 4684400 2.46405 -27.635 -24.3801 -26.4114 4.69306 -19.8527 -24.7828 -19.2707 -5.95842 TIMING: 4684400 CPU: 13612.2, 0.00298853/step Wall: 13612.2, 0.00298853/step, 0.261995 hours remaining, 208.636719 MB of memory in use. ENERGY: 4684400 750.5295 2068.6023 1952.9188 109.9858 -207191.5135 18354.4165 0.0000 0.0000 34273.4948 -149681.5660 299.3190 -183955.0608 -149579.9466 297.8001 275.6300 306.9425 556002.4680 0.2855 0.3996 PRESSURE: 4684600 164.428 171.952 77.0043 171.951 -42.5987 -16.5045 77.0042 -16.5039 -133.757 GPRESSURE: 4684600 122.548 195.489 21.0536 124.922 57.287 -1.4838 153.033 -5.74461 -94.3049 PRESSAVG: 4684600 -20.9813 1.84987 -25.7123 1.84994 52.7066 81.0977 -25.7123 81.0976 -46.4909 GPRESSAVG: 4684600 -20.5091 3.8062 -25.9966 1.61174 51.1747 80.6779 -23.9869 83.6641 -45.1705 TIMING: 4684600 CPU: 13612.8, 0.00290874/step Wall: 13612.8, 0.00290874/step, 0.254838 hours remaining, 209.097656 MB of memory in use. ENERGY: 4684600 750.4908 2110.1007 1944.1890 109.7074 -207024.5768 18053.1956 0.0000 0.0000 34212.3428 -149844.5505 298.7849 -184056.8932 -149753.5641 297.9847 -3.9757 28.5102 557568.6707 -4.9219 -4.8350 PRESSURE: 4684800 119.298 254.239 -78.6799 254.239 -108.293 -145.093 -78.6798 -145.091 52.7208 GPRESSURE: 4684800 173.283 250.42 -137.475 228.393 -125.009 -115.283 -53.3022 -176.488 113.591 PRESSAVG: 4684800 -48.845 75.7626 -5.77547 75.7625 -3.31987 12.91 -5.77544 12.91 26.6765 GPRESSAVG: 4684800 -48.9965 76.6205 -6.77552 75.0398 -3.50801 14.2627 -8.48157 10.1759 26.6413 TIMING: 4684800 CPU: 13613.4, 0.0029041/step Wall: 13613.4, 0.0029041/step, 0.254271 hours remaining, 209.097656 MB of memory in use. ENERGY: 4684800 764.4763 2082.3394 1945.0006 99.7301 -206555.9275 17959.0956 0.0000 0.0000 34223.9459 -149481.3397 298.8862 -183705.2856 -149377.4665 298.3830 21.2418 53.9551 557968.5638 -8.4961 -8.6211 PRESSURE: 4685000 -27.989 118.815 38.179 118.816 -184.082 -81.4355 38.1786 -81.4348 -20.8577 GPRESSURE: 4685000 4.13596 69.644 41.5065 67.2438 -160.796 -100.733 -2.88419 -54.3818 15.2839 PRESSAVG: 4685000 15.0895 42.5411 -64.7405 42.5411 -26.885 -21.3728 -64.7406 -21.3727 12.3187 GPRESSAVG: 4685000 15.945 41.3833 -64.9341 42.5908 -26.699 -24.8518 -62.836 -19.7532 11.1101 TIMING: 4685000 CPU: 13614, 0.00291738/step Wall: 13614, 0.00291738/step, 0.255271 hours remaining, 209.097656 MB of memory in use. ENERGY: 4685000 785.7028 2006.5103 1958.1473 113.3378 -206513.9083 17972.4493 0.0000 0.0000 34360.5661 -149317.1946 300.0794 -183677.7607 -149223.6081 298.6517 -77.6429 -47.1252 558081.1969 0.1744 0.1187 PRESSURE: 4685200 168.786 -136.778 -11.89 -136.778 -234.043 -22.2106 -11.889 -22.2099 96.0216 GPRESSURE: 4685200 166.371 -125.451 -49.96 -130.203 -196.56 -17.3447 -7.87995 14.6039 155.335 PRESSAVG: 4685200 33.0978 38.2957 -5.0048 38.2958 -33.1356 -0.927243 -5.00477 -0.927077 28.1814 GPRESSAVG: 4685200 31.2526 37.3803 -4.24993 41.456 -32.0715 2.16787 -5.1361 -0.938865 28.9096 TIMING: 4685200 CPU: 13614.5, 0.00291652/step Wall: 13614.5, 0.00291652/step, 0.255033 hours remaining, 209.097656 MB of memory in use. ENERGY: 4685200 729.1872 2111.3249 1933.3109 115.4428 -206043.9584 17814.3054 0.0000 0.0000 34259.8996 -149080.4877 299.2002 -183340.3873 -148978.0555 299.6969 10.2547 41.7153 557783.2871 9.3812 9.3635 PRESSURE: 4685400 -154.339 127.309 -70.4324 127.307 -108.4 254.703 -70.432 254.703 -277.137 GPRESSURE: 4685400 -92.8567 94.0623 18.0517 171.748 -44.49 257.155 -93.9552 267.96 -305.094 PRESSAVG: 4685400 54.2402 -12.8806 6.3721 -12.8806 -3.02996 4.34756 6.37218 4.34765 -55.7729 GPRESSAVG: 4685400 56.2459 -12.1731 6.18938 -14.5647 -3.39001 2.22057 5.88346 6.53252 -56.9324 TIMING: 4685400 CPU: 13615.1, 0.00289754/step Wall: 13615.1, 0.00289754/step, 0.253213 hours remaining, 209.097656 MB of memory in use. ENERGY: 4685400 732.7191 2091.4274 1938.4639 102.3874 -205806.1665 17572.8725 0.0000 0.0000 34188.7859 -149179.5102 298.5792 -183368.2960 -149084.0007 299.3104 -179.9589 -147.4804 558754.4612 -1.5209 -1.3588 PRESSURE: 4685600 391.859 -19.819 11.5544 -19.8189 302.24 -30.9407 11.5542 -30.9407 77.1094 GPRESSURE: 4685600 369.756 -43.5435 -68.4554 -9.06124 397.676 -25.4783 58.8544 -37.3306 110.708 PRESSAVG: 4685600 21.227 -54.5333 2.7199 -54.5333 56.7369 16.1823 2.71992 16.1823 -27.9541 GPRESSAVG: 4685600 19.5226 -56.6162 2.39751 -56.0455 57.6363 17.1864 2.6841 14.9295 -27.1473 TIMING: 4685600 CPU: 13615.7, 0.00292354/step Wall: 13615.7, 0.00292354/step, 0.255322 hours remaining, 209.390625 MB of memory in use. ENERGY: 4685600 695.7123 2127.6468 1970.4645 112.2339 -206602.7700 18099.3972 0.0000 0.0000 34343.5685 -149253.7468 299.9309 -183597.3154 -149163.8969 299.0526 257.0696 292.7131 556860.2751 16.6699 16.6705 PRESSURE: 4685800 69.8174 156.176 41.9905 156.175 148.552 180.027 41.9901 180.029 179.045 GPRESSURE: 4685800 48.6432 179.805 6.06975 219.501 204.476 196.121 59.9482 139.523 240.147 PRESSAVG: 4685800 -35.7304 -25.1395 -44.0111 -25.1395 58.8299 -27.9835 -44.0111 -27.9835 6.25565 GPRESSAVG: 4685800 -35.4127 -23.7504 -44.3337 -24.593 58.3226 -27.2424 -41.8344 -29.5644 6.47295 TIMING: 4685800 CPU: 13616.3, 0.00294549/step Wall: 13616.3, 0.00294549/step, 0.257076 hours remaining, 209.390625 MB of memory in use. ENERGY: 4685800 691.9787 2123.4912 1941.3231 111.0336 -206392.6460 17982.1237 0.0000 0.0000 34323.6334 -149219.0623 299.7568 -183542.6957 -149125.4741 299.1052 132.4715 164.4222 557072.6613 9.7851 9.7943 PRESSURE: 4686000 144.396 -62.6597 -160.231 -62.6596 -282.68 10.5919 -160.231 10.5912 -36.9417 GPRESSURE: 4686000 155.827 -80.1077 -187.019 -12.8517 -239.025 8.20494 -134.542 50.0648 11.5477 PRESSAVG: 4686000 -11.6917 -31.718 -50.5692 -31.718 -29.6534 7.44896 -50.5693 7.44903 -13.1713 GPRESSAVG: 4686000 -11.5679 -29.5173 -50.3822 -32.1822 -29.7487 7.74089 -52.6937 7.41591 -13.1787 TIMING: 4686000 CPU: 13616.9, 0.00291754/step Wall: 13616.9, 0.00291754/step, 0.254475 hours remaining, 209.390625 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: 4686000 729.9935 2063.6001 1987.2574 105.6822 -206271.2666 17791.9799 0.0000 0.0000 34356.7802 -149235.9734 300.0463 -183592.7535 -149144.2027 299.6518 -58.4088 -23.8835 557842.4376 -18.1722 -18.1651 PRESSURE: 4686200 -175.36 65.0628 18.8874 65.0627 23.1478 -78.6343 18.8883 -78.6359 -48.1085 GPRESSURE: 4686200 -143.105 94.5054 101.131 85.8271 56.7547 -58.2285 58.3664 -84.7298 -19.4097 PRESSAVG: 4686200 -63.9715 27.371 12.3634 27.371 -73.2853 -51.425 12.3635 -51.4251 96.1738 GPRESSAVG: 4686200 -64.1917 24.7663 13.1184 28.3653 -74.0703 -52.5717 13.4459 -49.8575 97.6927 TIMING: 4686200 CPU: 13617.5, 0.00289856/step Wall: 13617.5, 0.00289856/step, 0.252657 hours remaining, 209.390625 MB of memory in use. ENERGY: 4686200 719.7291 2035.2013 1981.7617 103.8173 -206100.0578 17631.8428 0.0000 0.0000 34266.0272 -149361.6784 299.2537 -183627.7056 -149268.8375 298.7879 -66.7737 -35.2534 558650.4961 -13.6943 -13.5231 PRESSURE: 4686400 406.375 64.6414 -39.8596 64.6419 -3.24994 183.793 -39.8594 183.791 51.9042 GPRESSURE: 4686400 412.713 133.45 -66.5957 -2.4589 11.3961 243.351 -16.7861 212.794 113.656 PRESSAVG: 4686400 -44.3718 56.2053 -47.9089 56.2053 40.2668 2.60565 -47.9089 2.60559 21.2213 GPRESSAVG: 4686400 -45.0944 55.341 -48.1161 57.8123 41.3549 3.80087 -48.3278 0.299684 20.7543 TIMING: 4686400 CPU: 13618, 0.00291505/step Wall: 13618, 0.00291505/step, 0.253933 hours remaining, 209.390625 MB of memory in use. ENERGY: 4686400 710.9255 2108.2328 1982.1483 108.0591 -206594.7608 17946.8557 0.0000 0.0000 34298.7286 -149439.8109 299.5393 -183738.5394 -149348.0907 298.4818 151.6764 179.2550 556589.2845 5.7054 5.6716 PRESSURE: 4686600 -225.839 -99.0182 128.254 -99.0184 -264.607 -16.655 128.255 -16.6553 -192.643 GPRESSURE: 4686600 -128.644 -44.6663 125.106 -161.861 -292.167 -47.6802 211.297 -21.6713 -148.145 PRESSAVG: 4686600 -54.2891 3.52582 -26.7002 3.52583 -12.6274 4.26363 -26.7001 4.26366 29.6203 GPRESSAVG: 4686600 -52.7917 4.2458 -25.7358 0.671676 -12.5884 4.31603 -28.1158 6.46377 28.2723 TIMING: 4686600 CPU: 13618.6, 0.00291879/step Wall: 13618.6, 0.00291879/step, 0.254097 hours remaining, 209.390625 MB of memory in use. ENERGY: 4686600 783.4911 2074.3098 1956.0595 113.3449 -206082.1649 17633.4273 0.0000 0.0000 33962.9034 -149558.6289 296.6065 -183521.5323 -149457.6263 298.4043 -227.6962 -189.6518 558198.8474 -12.4321 -12.3693 PRESSURE: 4686800 -184.726 145.963 202.238 145.963 -311.743 -52.5244 202.238 -52.5233 130.181 GPRESSURE: 4686800 -153.4 160.861 231.905 49.5561 -233.128 -9.14878 147.845 -64.4406 122.031 PRESSAVG: 4686800 -37.0603 26.8762 29.7168 26.8762 -25.0595 1.50601 29.7169 1.50602 88.6755 GPRESSAVG: 4686800 -38.206 27.3866 28.3405 28.4425 -24.9304 1.24334 30.5213 0.2539 89.9616 TIMING: 4686800 CPU: 13619.2, 0.00291111/step Wall: 13619.2, 0.00291111/step, 0.253267 hours remaining, 209.390625 MB of memory in use. ENERGY: 4686800 769.2874 2100.6482 1957.7475 105.0539 -206497.4528 17739.5208 0.0000 0.0000 34291.4962 -149533.6988 299.4762 -183825.1951 -149438.7799 298.4129 -122.0960 -88.1657 557633.8511 8.8519 8.9417 PRESSURE: 4687000 116.29 34.2886 80.5965 34.2888 -208.223 120.291 80.5967 120.291 -20.5407 GPRESSURE: 4687000 165.057 70.1553 137.649 34.9407 -204.177 218.618 63.523 21.8686 18.3867 PRESSAVG: 4687000 -61.5151 13.6319 26.0652 13.6318 -44.075 -44.78 26.0651 -44.7801 55.2045 GPRESSAVG: 4687000 -60.6018 13.5583 25.4168 12.0755 -44.9842 -45.6539 27.93 -44.322 54.3924 TIMING: 4687000 CPU: 13619.8, 0.002919/step Wall: 13619.8, 0.002919/step, 0.253791 hours remaining, 209.390625 MB of memory in use. ENERGY: 4687000 742.9073 2116.7026 1959.7280 101.7229 -206374.6139 17789.7989 0.0000 0.0000 34113.2519 -149550.5024 297.9195 -183663.7543 -149456.5157 298.6566 -37.4914 -6.9113 557692.5645 -16.7952 -17.0645 PRESSURE: 4687200 103.294 30.0368 84.0609 30.0362 -116.787 -99.42 84.0607 -99.4198 -37.0683 GPRESSURE: 4687200 107.731 140.874 140.867 -33.8703 -65.3794 -77.5442 35.0505 -82.037 10.73 PRESSAVG: 4687200 41.3612 -7.13849 36.2125 -7.13858 -33.9179 -7.65244 36.2126 -7.65251 16.4573 GPRESSAVG: 4687200 40.923 -7.69732 35.0697 -6.1717 -33.3081 -6.5366 35.6495 -9.06786 16.8371 TIMING: 4687200 CPU: 13620.4, 0.00290713/step Wall: 13620.4, 0.00290713/step, 0.252597 hours remaining, 209.390625 MB of memory in use. ENERGY: 4687200 765.2055 2086.1624 1958.1579 119.2406 -206366.1369 17860.1720 0.0000 0.0000 34078.8398 -149498.3586 297.6190 -183577.1984 -149409.8940 298.7934 -16.8538 17.6937 558260.8433 7.9669 8.1507 PRESSURE: 4687400 106.53 23.0704 -174.911 23.0708 -116.662 -39.9223 -174.911 -39.9201 -148.952 GPRESSURE: 4687400 124.534 -26.3374 -216.294 25.4763 -61.9706 -48.3345 -141.516 -28.8214 -131.165 PRESSAVG: 4687400 -1.49682 33.0483 -8.66355 33.0483 -42.133 -48.7487 -8.66342 -48.7488 73.0175 GPRESSAVG: 4687400 -1.37471 32.9392 -6.03991 32.9644 -43.0958 -48.0674 -10.7181 -47.8188 73.8746 TIMING: 4687400 CPU: 13620.9, 0.00289463/step Wall: 13620.9, 0.00289463/step, 0.25135 hours remaining, 209.390625 MB of memory in use. ENERGY: 4687400 757.1835 2116.9253 1956.8213 105.4293 -206400.1125 17776.5997 0.0000 0.0000 34150.4340 -149536.7194 298.2442 -183687.1534 -149441.4901 298.8490 -53.0281 -22.8671 557653.0183 9.7959 9.8014 PRESSURE: 4687600 98.0872 -6.23784 6.86597 -6.2379 -137.346 -98.3188 6.86446 -98.3196 181.733 GPRESSURE: 4687600 122.41 42.1302 -16.5176 -75.588 -159.76 -86.2516 -33.516 -97.5345 274.782 PRESSAVG: 4687600 -66.8208 -12.43 -19.7137 -12.43 -16.4948 -20.0323 -19.7137 -20.0324 64.819 GPRESSAVG: 4687600 -67.728 -13.7978 -21.45 -10.7772 -15.3156 -19.2187 -19.7472 -20.5097 64.57 TIMING: 4687600 CPU: 13621.5, 0.0029012/step Wall: 13621.5, 0.0029012/step, 0.25176 hours remaining, 209.390625 MB of memory in use. ENERGY: 4687600 749.6547 2102.7065 1957.7547 101.3888 -206400.1882 17894.9623 0.0000 0.0000 34166.1541 -149427.5672 298.3815 -183593.7213 -149338.6403 298.4340 47.4915 79.1438 557895.2747 -6.1655 -6.1579 PRESSURE: 4687800 -75.7437 110.08 -5.34716 110.081 -292.872 24.977 -5.34588 24.9749 -333.446 GPRESSURE: 4687800 -57.6344 74.5155 -17.5541 119.006 -234.367 4.93801 -41.3799 117.986 -312.293 PRESSAVG: 4687800 -36.3581 10.169 -35.8415 10.1691 -36.9856 -48.2533 -35.8416 -48.2532 45.3171 GPRESSAVG: 4687800 -35.8175 10.9542 -36.369 9.88952 -37.4157 -51.6647 -35.3917 -46.1804 45.8264 TIMING: 4687800 CPU: 13622.1, 0.00288622/step Wall: 13622.1, 0.00288622/step, 0.2503 hours remaining, 209.390625 MB of memory in use. ENERGY: 4687800 747.5316 2126.0010 1952.1760 113.7464 -206187.0049 17526.8237 0.0000 0.0000 34285.2496 -149435.4765 299.4216 -183720.7261 -149343.3645 298.2907 -234.0204 -201.4314 557882.6472 -9.3422 -9.1356 PRESSURE: 4688000 -14.0682 50.8151 -23.1362 50.8143 48.0086 -28.1954 -23.1357 -28.1958 -199.277 GPRESSURE: 4688000 43.1515 91.3702 -43.0967 -92.3498 34.7307 -77.2807 -15.4137 12.6227 -145.605 PRESSAVG: 4688000 -40.2746 -39.1823 -38.5317 -39.1823 31.4689 -47.6744 -38.5317 -47.6743 39.5213 GPRESSAVG: 4688000 -40.2205 -39.2839 -35.3089 -41.3293 31.174 -46.5832 -39.9698 -49.6589 39.8856 TIMING: 4688000 CPU: 13622.7, 0.00288184/step Wall: 13622.7, 0.00288184/step, 0.24976 hours remaining, 209.390625 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: 4688000 759.9001 2092.0249 1966.3121 111.1394 -206231.4922 17782.9944 0.0000 0.0000 34248.3596 -149270.7616 299.0994 -183519.1212 -149178.0455 299.2543 -55.1122 -22.5742 557710.1846 10.2385 10.2797 PRESSURE: 4688200 1.71956 -32.5226 -4.95702 -32.5223 -234.421 29.5828 -4.95758 29.5831 -71.8732 GPRESSURE: 4688200 76.3546 -88.1019 -67.3008 64.5994 -273.062 -14.0122 76.0903 63.7515 -23.5907 PRESSAVG: 4688200 30.3141 18.9323 28.9734 18.9322 -14.8683 6.31248 28.9734 6.31244 -32.7895 GPRESSAVG: 4688200 31.7692 18.6279 27.6636 21.3016 -15.5586 5.71223 30.3997 9.5479 -33.4576 TIMING: 4688200 CPU: 13623.3, 0.00288037/step Wall: 13623.3, 0.00288037/step, 0.249472 hours remaining, 209.390625 MB of memory in use. ENERGY: 4688200 775.3273 2082.1483 1959.1467 116.6041 -206474.6194 17918.7050 0.0000 0.0000 34313.3812 -149309.3068 299.6673 -183622.6880 -149206.1022 299.4724 -101.5250 -73.4328 557866.5092 -5.7812 -5.7490 LDB: ============= START OF LOAD BALANCING ============== 13626.7 LDB: ============== END OF LOAD BALANCING =============== 13626.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13626.7 LDB: ============= START OF LOAD BALANCING ============== 13627 LDB: Largest compute 4848 load 0.030537 is 25.9% of average load 0.117842 LDB: Average compute 0.001731 is 1.5% of average load 0.117842 LDB: TIME 13627 LOAD: AVG 0.117842 MAX 0.185383 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.512 MB LDB: TIME 13627 LOAD: AVG 0.117842 MAX 0.185383 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: TIME 13627 LOAD: AVG 0.117842 MAX 0.185383 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.715 MB LDB: ============== END OF LOAD BALANCING =============== 13627 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13627 PRESSURE: 4688400 40.3362 -120.364 56.0095 -120.364 -144.24 -157.875 56.0089 -157.875 55.2345 GPRESSURE: 4688400 76.9623 -91.0607 -24.9886 -173.888 -126.335 -188.305 96.7894 -157.923 95.8066 PRESSAVG: 4688400 -10.7287 -13.4856 40.5432 -13.4856 0.804558 1.47797 40.5432 1.47797 2.03476 GPRESSAVG: 4688400 -12.1958 -12.3224 37.5551 -14.0432 2.74996 3.61895 42.2672 0.174271 2.06863 TIMING: 4688400 CPU: 13623.8, 0.00294571/step Wall: 13623.8, 0.00294571/step, 0.254968 hours remaining, 207.687500 MB of memory in use. ENERGY: 4688400 753.8505 2086.4715 1955.1512 113.2489 -206260.8279 17791.9699 0.0000 0.0000 34226.6630 -149333.4730 298.9100 -183560.1360 -149232.1841 299.4975 -16.2232 15.4779 556214.3947 -2.6298 -2.4591 PRESSURE: 4688600 30.829 -28.7808 -39.916 -28.7806 -149.831 23.6 -39.9166 23.6023 -23.9745 GPRESSURE: 4688600 97.0224 46.8716 -73.7448 -49.3478 -135.133 -36.5159 19.1527 55.2191 3.74698 PRESSAVG: 4688600 -5.89194 -59.3293 -0.0347924 -59.3293 -2.68325 -6.1925 -0.0348773 -6.19247 3.19071 GPRESSAVG: 4688600 -6.71139 -59.8934 2.07812 -58.8325 -3.99693 -7.57551 0.135645 -7.40696 4.40094 TIMING: 4688600 CPU: 13624.4, 0.00290417/step Wall: 13624.4, 0.00290417/step, 0.251211 hours remaining, 207.828125 MB of memory in use. ENERGY: 4688600 731.4220 2094.1890 1962.5788 124.9521 -206170.1338 17634.3837 0.0000 0.0000 34300.4905 -149322.1176 299.5547 -183622.6081 -149220.6227 298.9778 -47.6590 -11.4545 557068.7732 -1.7948 -2.1025 PRESSURE: 4688800 12.4197 36.6193 -36.1442 36.6198 -285.97 100.528 -36.142 100.53 -148.104 GPRESSURE: 4688800 26.111 40.2865 2.28246 29.702 -256.085 64.7679 -69.8678 155.45 -100.866 PRESSAVG: 4688800 18.2836 -4.38207 -32.0033 -4.38211 -6.97243 76.8539 -32.0032 76.8538 2.23055 GPRESSAVG: 4688800 19.2197 -4.42798 -32.3611 -4.45695 -6.66213 78.6804 -33.2416 78.0509 1.06091 TIMING: 4688800 CPU: 13625, 0.00290595/step Wall: 13625, 0.00290595/step, 0.251203 hours remaining, 207.828125 MB of memory in use. ENERGY: 4688800 743.8772 2101.9707 1933.1126 117.7073 -206022.8671 17839.8665 0.0000 0.0000 33904.4069 -149381.9259 296.0956 -183286.3328 -149290.4934 298.4347 -140.5517 -110.2802 557799.2815 4.5139 4.5395 PRESSURE: 4689000 -315.825 141.31 -66.9406 141.312 -86.368 14.6679 -66.9398 14.6666 -121.381 GPRESSURE: 4689000 -274.084 233.243 15.6904 158.997 -37.4949 -18.9685 -27.5622 -67.7191 -105.814 PRESSAVG: 4689000 -28.9984 -14.9997 78.7356 -14.9997 39.1811 0.364619 78.7355 0.364542 1.6587 GPRESSAVG: 4689000 -28.8191 -14.596 79.5722 -15.5587 39.3772 0.941805 77.959 0.746253 1.7225 TIMING: 4689000 CPU: 13625.6, 0.00291687/step Wall: 13625.6, 0.00291687/step, 0.251986 hours remaining, 207.828125 MB of memory in use. ENERGY: 4689000 776.5831 2038.1951 1954.5333 112.4864 -206222.0422 17845.6909 0.0000 0.0000 34230.4973 -149264.0561 298.9434 -183494.5534 -149168.0693 298.1675 -174.5246 -139.1308 558415.1151 3.9471 4.0935 PRESSURE: 4689200 -16.3448 22.6416 249.121 22.642 -71.4727 96.6967 249.121 96.6959 -233.518 GPRESSURE: 4689200 -3.13018 -40.5938 209.053 76.6034 -30.5552 61.4126 298.356 109.83 -186.864 PRESSAVG: 4689200 2.17259 18.9995 49.7011 18.9996 63.1135 22.6039 49.701 22.6039 12.5427 GPRESSAVG: 4689200 1.22279 16.5992 46.8353 21.8886 63.0057 22.6607 50.5191 20.0074 13.4768 TIMING: 4689200 CPU: 13626.2, 0.0029028/step Wall: 13626.2, 0.0029028/step, 0.250609 hours remaining, 207.828125 MB of memory in use. ENERGY: 4689200 747.7663 2117.9861 1942.0638 106.4264 -205891.6831 17510.6149 0.0000 0.0000 34231.9929 -149234.8326 298.9565 -183466.8256 -149145.9635 299.4069 -107.1117 -73.5163 557332.4336 25.9429 25.9018 PRESSURE: 4689400 47.5047 -72.6664 -84.5337 -72.6651 11.2325 58.3143 -84.5341 58.3153 77.4165 GPRESSURE: 4689400 124.233 -116.573 -77.4289 -56.1927 30.2568 119.095 -1.51069 7.80584 78.297 PRESSAVG: 4689400 -5.47059 -37.3388 26.7544 -37.3388 62.6596 28.0678 26.7545 28.0679 -36.3951 GPRESSAVG: 4689400 -4.08357 -33.8454 26.9619 -40.4001 62.15 26.1177 28.2091 28.5714 -36.5153 TIMING: 4689400 CPU: 13626.8, 0.00290754/step Wall: 13626.8, 0.00290754/step, 0.250856 hours remaining, 207.828125 MB of memory in use. ENERGY: 4689400 745.5685 2025.7109 1962.1914 109.2473 -206480.5783 18060.2105 0.0000 0.0000 34292.5333 -149285.1164 299.4852 -183577.6497 -149186.9713 299.7100 45.3846 77.5957 557338.3542 6.9313 7.1837 PRESSURE: 4689600 2.21891 -26.6749 -152.796 -26.6761 128.274 -129.208 -152.796 -129.207 94.1958 GPRESSURE: 4689600 65.0242 -30.3479 -123.752 -17.7187 155.08 -120.583 -104.777 -105.043 110.911 PRESSAVG: 4689600 -65.8347 -33.2146 -40.7504 -33.2147 1.77471 26.1941 -40.7504 26.194 44.9197 GPRESSAVG: 4689600 -65.5755 -34.0019 -39.058 -32.8369 2.11597 26.4032 -41.3035 27.0224 44.5735 TIMING: 4689600 CPU: 13627.3, 0.00291103/step Wall: 13627.3, 0.00291103/step, 0.250995 hours remaining, 208.031250 MB of memory in use. ENERGY: 4689600 719.2674 2048.3275 1946.0317 123.7123 -206240.6500 17854.1350 0.0000 0.0000 34314.3198 -149234.8565 299.6755 -183549.1763 -149140.4785 299.3275 74.8963 110.3385 555931.9391 -6.3801 -6.2953 PRESSURE: 4689800 -93.486 -13.4799 2.3206 -13.4805 256.563 -44.119 2.31991 -44.1188 39.4239 GPRESSURE: 4689800 -70.7446 29.5122 32.3918 -85.7684 323.445 -71.7286 6.37169 -60.3671 44.9403 PRESSAVG: 4689800 -15.6001 53.109 43.5836 53.1089 -46.5303 40.7982 43.5836 40.7983 87.5185 GPRESSAVG: 4689800 -16.6631 52.8773 44.1936 52.9023 -45.9759 41.6051 43.1895 38.9736 88.3066 TIMING: 4689800 CPU: 13627.9, 0.00290206/step Wall: 13627.9, 0.00290206/step, 0.250061 hours remaining, 208.031250 MB of memory in use. ENERGY: 4689800 754.8988 2051.5627 1954.0574 113.8695 -206358.9041 17968.4178 0.0000 0.0000 34286.2726 -149229.8254 299.4305 -183516.0980 -149130.9944 299.1418 67.5003 99.2137 556942.4019 8.4627 8.5559 PRESSURE: 4690000 -106.155 23.7191 -18.6286 23.7191 -169.781 -185.439 -18.6282 -185.44 -257.729 GPRESSURE: 4690000 -100.636 -25.4818 -76.5071 61.2759 -171.526 -257.506 -80.3538 -180.951 -173.869 PRESSAVG: 4690000 -110.237 19.1459 -0.50988 19.1458 36.3697 -4.86121 -0.509836 -4.86117 103.354 GPRESSAVG: 4690000 -110.084 18.4001 0.175226 20.2278 35.5005 -4.9409 -2.11672 -2.22144 103.691 TIMING: 4690000 CPU: 13628.5, 0.00289439/step Wall: 13628.5, 0.00289439/step, 0.249239 hours remaining, 208.031250 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: 4690000 751.6924 2029.6814 1965.4082 108.3705 -206077.7900 17511.6444 0.0000 0.0000 34437.8117 -149273.1814 300.7540 -183710.9931 -149178.7847 298.9718 -177.8887 -148.6768 557209.9122 9.8288 9.7027 PRESSURE: 4690200 -22.3071 -50.5731 -83.168 -50.5727 -162.989 -18.0512 -83.169 -18.0505 147.649 GPRESSURE: 4690200 31.3375 -7.62376 -6.11745 -134.889 -129.403 -68.9602 -91.485 -12.4871 150.794 PRESSAVG: 4690200 -40.8594 -12.7436 -36.3265 -12.7436 -23.5452 -6.97399 -36.3265 -6.97402 77.3679 GPRESSAVG: 4690200 -41.8622 -12.2573 -37.1388 -14.2072 -23.991 -8.06933 -34.4493 -7.59914 78.1592 TIMING: 4690200 CPU: 13629.1, 0.00290402/step Wall: 13629.1, 0.00290402/step, 0.249907 hours remaining, 208.031250 MB of memory in use. ENERGY: 4690200 718.8130 2085.7050 1942.7801 130.6967 -206386.4614 17795.7323 0.0000 0.0000 34335.3060 -149377.4283 299.8588 -183712.7343 -149281.8482 299.2722 -12.5488 17.5761 557841.0096 4.3211 4.1020 PRESSURE: 4690400 161.981 -189.745 -15.2252 -189.744 180.962 -136.106 -15.2249 -136.106 244.246 GPRESSURE: 4690400 205.088 -126.706 -71.8125 -238.09 216.076 -85.652 -2.16205 -117.516 261.393 PRESSAVG: 4690400 61.9664 -15.5441 41.3387 -15.544 -92.1197 -30.7912 41.3388 -30.7914 18.0606 GPRESSAVG: 4690400 61.6489 -15.4156 41.4296 -15.5209 -91.0326 -28.2416 39.831 -32.4232 16.9818 TIMING: 4690400 CPU: 13629.7, 0.00290677/step Wall: 13629.7, 0.00290677/step, 0.249982 hours remaining, 208.031250 MB of memory in use. ENERGY: 4690400 731.5652 2095.2750 1961.3049 125.1932 -206632.9573 18085.6691 0.0000 0.0000 34090.8542 -149543.0958 297.7239 -183633.9500 -149455.1426 298.8395 195.7298 227.5185 557181.3218 -4.0309 -4.1340 PRESSURE: 4690600 -50.2707 45.8555 171.46 45.8552 -140.874 36.2484 171.461 36.2508 122.714 GPRESSURE: 4690600 -6.17195 20.723 102.752 15.3928 -140.12 43.3106 237.357 9.6657 179.867 PRESSAVG: 4690600 -12.4758 -45.6341 10.127 -45.634 23.1998 -66.2983 10.127 -66.2984 -7.05358 GPRESSAVG: 4690600 -11.4682 -45.6139 10.4116 -46.036 22.8601 -66.0657 11.551 -65.3996 -7.73684 TIMING: 4690600 CPU: 13630.2, 0.00292863/step Wall: 13630.2, 0.00292863/step, 0.251699 hours remaining, 208.031250 MB of memory in use. ENERGY: 4690600 718.5816 2162.8461 1937.1630 111.2167 -206385.5006 17792.6572 0.0000 0.0000 34142.8790 -149520.1570 298.1783 -183663.0360 -149421.9761 298.3260 -22.8104 11.1916 557093.4206 1.2235 1.2184 PRESSURE: 4690800 136.852 129.462 235.29 129.463 -164.955 -223.212 235.29 -223.211 1.43601 GPRESSURE: 4690800 136.809 147.574 304.123 187.816 -114.097 -175.387 154.788 -108.633 47.6883 PRESSAVG: 4690800 7.74329 -32.1147 31.0459 -32.1147 21.4471 -24.4782 31.0459 -24.4781 -6.78867 GPRESSAVG: 4690800 7.87207 -31.7044 30.6534 -30.3924 21.2524 -27.5331 29.3463 -22.3727 -6.97135 TIMING: 4690800 CPU: 13630.8, 0.00294166/step Wall: 13630.8, 0.00294166/step, 0.252656 hours remaining, 208.031250 MB of memory in use. ENERGY: 4690800 756.7901 2066.5676 1946.3472 113.2347 -206163.6989 17905.1025 0.0000 0.0000 34122.9300 -149252.7267 298.0040 -183375.6567 -149154.3082 299.4430 -8.8890 23.4668 558113.9314 7.4673 7.3844 PRESSURE: 4691000 -302.001 6.36839 -128.121 6.36896 -48.2331 70.3548 -128.122 70.3542 -331.006 GPRESSURE: 4691000 -251.396 23.7179 -94.8807 88.3599 -8.82552 49.5842 -52.3075 21.8534 -325.534 PRESSAVG: 4691000 -18.9028 -22.9443 31.7892 -22.9443 -31.5793 -18.5852 31.7892 -18.5852 33.5731 GPRESSAVG: 4691000 -18.9364 -22.6927 30.6112 -24.4318 -32.3142 -17.6045 32.5588 -19.9796 34.1449 TIMING: 4691000 CPU: 13631.4, 0.00292132/step Wall: 13631.4, 0.00292132/step, 0.250746 hours remaining, 208.031250 MB of memory in use. ENERGY: 4691000 782.4311 2105.6337 1915.5435 104.3310 -206067.2133 17531.4019 0.0000 0.0000 34436.5027 -149191.3695 300.7425 -183627.8721 -149094.6577 299.2801 -227.0799 -195.2519 557460.5495 -5.6363 -5.7019 PRESSURE: 4691200 -9.81921 55.2581 14.748 55.2585 5.75142 106.06 14.7472 106.061 -220.497 GPRESSURE: 4691200 14.9289 24.3615 -11.2258 72.219 0.0873402 56.5026 31.3826 113.811 -153.198 PRESSAVG: 4691200 57.1812 -10.0805 44.7952 -10.0806 -5.77854 62.8386 44.7951 62.8387 -40.0855 GPRESSAVG: 4691200 57.0217 -9.83435 48.0972 -10.7565 -5.26357 63.4068 43.9107 62.55 -40.3883 TIMING: 4691200 CPU: 13632, 0.00291559/step Wall: 13632, 0.00291559/step, 0.250093 hours remaining, 208.031250 MB of memory in use. ENERGY: 4691200 763.5133 2113.7905 1966.6312 105.0959 -205838.7290 17618.6821 0.0000 0.0000 34182.7768 -149088.2392 298.5267 -183271.0160 -148994.5112 299.9448 -74.8549 -46.0604 557236.6406 3.7724 3.7899 PRESSURE: 4691400 -24.6514 18.2598 -10.2148 18.2613 162.46 -95.325 -10.2143 -95.3247 70.462 GPRESSURE: 4691400 4.9299 -8.16886 -23.8336 28.514 188.644 -94.1031 -15.4148 -73.7499 115.546 PRESSAVG: 4691400 33.2245 50.6097 -4.9778 50.6097 -8.79759 26.7345 -4.97785 26.7344 14.1985 GPRESSAVG: 4691400 33.288 47.2488 -6.15258 50.4664 -8.47937 24.394 -5.69483 30.2973 14.1734 TIMING: 4691400 CPU: 13632.6, 0.00291542/step Wall: 13632.6, 0.00291542/step, 0.249916 hours remaining, 208.031250 MB of memory in use. ENERGY: 4691400 726.3613 2153.3742 1960.3495 112.5098 -206209.5706 17778.1027 0.0000 0.0000 34419.4997 -149059.3736 300.5941 -183478.8733 -148967.8273 299.6705 69.4237 103.0402 557638.2425 12.8751 12.9940 PRESSURE: 4691600 -23.1095 129.212 36.9044 129.212 94.088 142.476 36.9042 142.477 -77.4677 GPRESSURE: 4691600 7.17693 99.207 57.9672 99.4159 95.0114 145.385 35.0265 111.868 -7.56173 PRESSAVG: 4691600 47.5525 48.9203 -14.9202 48.9203 4.6838 33.0076 -14.9202 33.0075 -45.2604 GPRESSAVG: 4691600 47.3025 50.4996 -16.1197 50.5159 4.13799 35.5465 -14.9693 30.2184 -44.4535 TIMING: 4691600 CPU: 13633.2, 0.0029327/step Wall: 13633.2, 0.0029327/step, 0.251235 hours remaining, 208.031250 MB of memory in use. ENERGY: 4691600 744.1988 2127.4975 1946.8258 112.6995 -205873.9016 17722.6101 0.0000 0.0000 34143.3411 -149076.7287 298.1823 -183220.0698 -148983.8338 299.4623 -2.1631 31.5422 557001.8735 2.3253 2.3290 PRESSURE: 4691800 -81.7009 56.2777 -124.471 56.2795 165.181 141.143 -124.47 141.144 -207.022 GPRESSURE: 4691800 -26.821 -26.5328 -75.0985 151.358 210.082 225.041 -146.838 92.1318 -209.951 PRESSAVG: 4691800 22.5383 45.1362 -0.655816 45.1362 25.0888 25.6708 -0.655841 25.6707 -24.967 GPRESSAVG: 4691800 22.3407 45.5213 2.046 44.9095 24.6944 24.9743 -0.321073 26.2684 -24.7761 TIMING: 4691800 CPU: 13633.8, 0.00292252/step Wall: 13633.8, 0.00292252/step, 0.2502 hours remaining, 208.031250 MB of memory in use. ENERGY: 4691800 781.3460 2155.5160 1935.9662 116.1369 -206465.2536 18028.7382 0.0000 0.0000 34368.7730 -149078.7773 300.1510 -183447.5503 -148982.0507 299.5295 -41.1808 -8.8966 560096.9581 7.5534 7.4196 PRESSURE: 4692000 35.0874 -192.418 189.87 -192.418 -24.4788 68.0498 189.871 68.0507 -240.198 GPRESSURE: 4692000 91.9295 -202.793 167.538 -168.46 4.99651 110.644 149.157 59.3067 -232.162 PRESSAVG: 4692000 -11.7221 26.904 17.6481 26.9041 12.2217 3.08305 17.648 3.08308 -15.7581 GPRESSAVG: 4692000 -12.8537 25.3645 17.3544 27.5096 12.9829 1.96614 18.9977 4.46686 -15.1128 TIMING: 4692000 CPU: 13634.3, 0.0029188/step Wall: 13634.3, 0.0029188/step, 0.24972 hours remaining, 208.031250 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: 4692000 768.4934 2165.7973 1931.2948 102.9144 -205954.1435 17813.2090 0.0000 0.0000 34277.1713 -148895.2633 299.3511 -183172.4346 -148797.3328 299.3753 -76.5297 -45.0787 559382.9237 -5.0862 -4.9945 PRESSURE: 4692200 -314.534 17.5667 -72.8242 17.5669 -208.615 102.324 -72.824 102.325 -94.8189 GPRESSURE: 4692200 -278.762 -39.0262 86.8965 13.2924 -189.237 122.499 -108.303 88.8794 -53.543 PRESSAVG: 4692200 26.4611 29.775 35.966 29.775 29.8291 18.624 35.966 18.624 -65.79 GPRESSAVG: 4692200 26.9775 31.6318 35.7905 28.565 29.8769 20.8063 35.9228 16.3441 -66.2278 TIMING: 4692200 CPU: 13634.9, 0.00291698/step Wall: 13634.9, 0.00291698/step, 0.249402 hours remaining, 208.031250 MB of memory in use. ENERGY: 4692200 746.5263 2114.5285 1965.3914 127.7374 -206024.3707 17622.6545 0.0000 0.0000 34577.8627 -148869.6699 301.9771 -183447.5325 -148766.4197 299.9713 -205.9892 -173.8473 559677.4639 -3.1666 -3.1244 LDB: ============= START OF LOAD BALANCING ============== 13638.4 LDB: ============== END OF LOAD BALANCING =============== 13638.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13638.4 LDB: ============= START OF LOAD BALANCING ============== 13638.7 LDB: Largest compute 4848 load 0.030355 is 25.8% of average load 0.117829 LDB: Average compute 0.001728 is 1.5% of average load 0.117829 LDB: TIME 13638.7 LOAD: AVG 0.117829 MAX 0.185962 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.66 MB LDB: TIME 13638.7 LOAD: AVG 0.117829 MAX 0.185962 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: TIME 13638.7 LOAD: AVG 0.117829 MAX 0.185962 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.66 MB LDB: ============== END OF LOAD BALANCING =============== 13638.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13638.7 PRESSURE: 4692400 17.1413 151.392 13.2672 151.391 -74.6682 75.129 13.2681 75.1295 53.1262 GPRESSURE: 4692400 54.0405 106.409 98.7927 135.765 36.4256 80.7349 -32.4242 115.647 3.98111 PRESSAVG: 4692400 -59.7541 -45.6502 48.9098 -45.6502 62.2689 -11.6708 48.9098 -11.6707 -42.1725 GPRESSAVG: 4692400 -58.641 -44.6542 49.0605 -46.9379 61.8769 -11.8274 48.6511 -11.0565 -42.5803 TIMING: 4692400 CPU: 13635.5, 0.00295351/step Wall: 13635.5, 0.00295351/step, 0.252361 hours remaining, 208.261719 MB of memory in use. ENERGY: 4692400 741.1828 2135.9589 1955.1003 115.4090 -206055.5114 17856.6700 0.0000 0.0000 34256.2449 -148994.9455 299.1683 -183251.1904 -148894.2110 299.8459 -1.4669 31.4824 558550.2437 -13.2192 -13.1148 PRESSURE: 4692600 -13.5658 5.12379 -76.2641 5.1246 -124.638 -120.373 -76.265 -120.373 -272.361 GPRESSURE: 4692600 -15.7477 36.9203 -44.4552 11.3809 -105.074 -143.147 -68.406 -76.2237 -190.272 PRESSAVG: 4692600 9.62225 2.27115 57.0617 2.27118 16.8274 -2.3394 57.0617 -2.33936 -41.761 GPRESSAVG: 4692600 9.11841 1.68625 57.0794 2.02574 18.1083 -6.20556 55.0794 -0.678036 -42.3251 TIMING: 4692600 CPU: 13636.1, 0.0029012/step Wall: 13636.1, 0.0029012/step, 0.24773 hours remaining, 208.464844 MB of memory in use. ENERGY: 4692600 782.4451 2149.9971 1969.6342 116.9397 -205392.0405 17465.2465 0.0000 0.0000 34006.1469 -148901.6310 296.9841 -182907.7779 -148801.6455 299.9969 -136.8549 -103.6979 559844.0656 -5.1038 -5.0328 PRESSURE: 4692800 -243.4 -20.0029 51.5106 -20.0018 -334.365 53.5725 51.5106 53.5728 201.838 GPRESSURE: 4692800 -211.952 -79.1026 67.1825 -36.6571 -286.315 -50.9654 92.0061 40.8896 226.098 PRESSAVG: 4692800 -29.1296 -3.94176 32.8918 -3.94177 -56.017 -13.2116 32.8919 -13.2117 73.8221 GPRESSAVG: 4692800 -28.6517 -4.19568 32.232 -3.1114 -56.9354 -10.0722 34.4737 -13.6918 74.8218 TIMING: 4692800 CPU: 13636.7, 0.0029048/step Wall: 13636.7, 0.0029048/step, 0.247876 hours remaining, 208.464844 MB of memory in use. ENERGY: 4692800 791.5757 2121.0133 1992.8156 121.1907 -205694.0521 17495.2998 0.0000 0.0000 34200.8206 -148971.3363 298.6843 -183172.1570 -148870.6180 300.4710 -125.3091 -90.7228 557495.2046 -3.7748 -3.5884 PRESSURE: 4693000 -119.712 -113.221 89.2558 -113.221 -262.708 -159.771 89.2552 -159.773 -221.965 GPRESSURE: 4693000 -124.089 -78.797 57.104 -142.825 -213.677 -207.755 107.714 -185.047 -163.795 PRESSAVG: 4693000 16.2854 22.0657 8.44544 22.0657 -24.1996 -52.8798 8.44533 -52.8798 34.0532 GPRESSAVG: 4693000 17.3706 20.8117 6.86656 22.9281 -24.2925 -54.3406 8.16908 -52.5032 33.2718 TIMING: 4693000 CPU: 13637.3, 0.00293128/step Wall: 13637.3, 0.00293128/step, 0.249973 hours remaining, 208.464844 MB of memory in use. ENERGY: 4693000 741.1955 2099.5597 1974.7452 109.2153 -206136.8302 17561.8571 0.0000 0.0000 34365.4281 -149284.8293 300.1218 -183650.2575 -149190.9354 299.5781 -201.4616 -167.1869 556481.8089 8.7130 8.7833 PRESSURE: 4693200 -27.5009 210.33 -68.2934 210.329 24.0693 -110.444 -68.2936 -110.445 20.4633 GPRESSURE: 4693200 21.2916 127.347 -38.6782 298.11 48.613 -71.1431 -86.9347 -127.111 56.3998 PRESSAVG: 4693200 3.83913 21.4562 14.3281 21.4562 50.9054 -20.337 14.328 -20.337 -11.4652 GPRESSAVG: 4693200 3.80643 21.8843 17.5564 21.0504 51.9503 -17.5571 13.9573 -21.6802 -12.0932 TIMING: 4693200 CPU: 13637.8, 0.00291102/step Wall: 13637.8, 0.00291102/step, 0.248084 hours remaining, 208.464844 MB of memory in use. ENERGY: 4693200 723.0218 2133.4917 1941.3616 103.6811 -206192.5646 17776.2991 0.0000 0.0000 34320.7090 -149194.0004 299.7313 -183514.7094 -149094.8956 299.4206 5.6772 42.1014 556965.3924 14.4265 14.5545 PRESSURE: 4693400 77.0229 7.29298 109.572 7.29354 -78.1105 -83.7813 109.571 -83.7813 -136.869 GPRESSURE: 4693400 41.6644 3.42505 120.814 35.2435 -65.9418 -79.1992 102.607 -97.8506 -19.9226 PRESSAVG: 4693400 -0.479532 45.5474 9.73578 45.5474 -32.5787 -11.2275 9.73579 -11.2275 -19.0273 GPRESSAVG: 4693400 -1.21731 44.4227 9.05496 46.1064 -33.688 -13.1352 10.3693 -11.3664 -17.6429 TIMING: 4693400 CPU: 13638.4, 0.00292901/step Wall: 13638.4, 0.00292901/step, 0.249454 hours remaining, 208.464844 MB of memory in use. ENERGY: 4693400 760.4117 2057.3418 1951.1584 118.7896 -206016.1528 17727.8193 0.0000 0.0000 34277.5869 -149123.0450 299.3547 -183400.6319 -149023.4271 299.8471 -45.9855 -14.7333 557273.9041 -17.3618 -17.5161 PRESSURE: 4693600 -59.8154 35.026 37.8323 35.0252 -107.611 120.336 37.8324 120.336 -132.965 GPRESSURE: 4693600 -27.895 -9.16359 -32.2364 139.638 -63.167 75.7875 -44.5519 59.4024 -112.871 PRESSAVG: 4693600 15.62 5.94406 20.1732 5.94409 11.4935 -23.187 20.1732 -23.1871 6.31257 GPRESSAVG: 4693600 15.3749 7.34668 19.2581 6.54648 11.9921 -20.332 19.8393 -25.002 5.58941 TIMING: 4693600 CPU: 13639, 0.00292669/step Wall: 13639, 0.00292669/step, 0.249094 hours remaining, 208.464844 MB of memory in use. ENERGY: 4693600 766.0226 2069.6163 1942.9708 103.8637 -205610.4821 17523.8442 0.0000 0.0000 34241.7609 -148962.4036 299.0418 -183204.1645 -148864.2012 299.4765 -100.1304 -67.9776 556085.4548 11.1420 10.9855 PRESSURE: 4693800 55.177 71.0085 -53.1146 71.008 -149.857 142.133 -53.114 142.135 119.581 GPRESSURE: 4693800 142.927 -18.8979 -38.7219 23.0588 -140.565 132.932 -83.253 119.122 121.386 PRESSAVG: 4693800 17.7718 46.2704 45.7856 46.2704 -47.1773 71.4286 45.7856 71.4286 37.1353 GPRESSAVG: 4693800 18.5588 45.0916 46.3345 45.4542 -47.0916 69.7542 46.3411 72.54 36.8174 TIMING: 4693800 CPU: 13639.6, 0.00291811/step Wall: 13639.6, 0.00291811/step, 0.248201 hours remaining, 208.464844 MB of memory in use. ENERGY: 4693800 740.1302 2035.4681 1952.0640 115.1197 -205832.1596 17874.4572 0.0000 0.0000 34184.8699 -148930.0504 298.5450 -183114.9203 -148831.0552 299.3887 8.3004 41.2495 557977.1373 2.5766 2.7616 PRESSURE: 4694000 219.831 -63.4179 173.978 -63.4161 276.017 288.434 173.978 288.433 -71.8421 GPRESSURE: 4694000 271.283 -32.1393 170.433 -141.464 244.503 317.778 194.036 289.392 3.69752 PRESSAVG: 4694000 19.0646 -7.04978 18.5838 -7.04979 -59.6455 17.7937 18.5839 17.7938 76.9856 GPRESSAVG: 4694000 17.471 -4.35166 17.7469 -7.73655 -60.2197 19.4746 18.2169 17.2354 78.7089 TIMING: 4694000 CPU: 13640.2, 0.00291305/step Wall: 13640.2, 0.00291305/step, 0.24761 hours remaining, 208.464844 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: 4694000 708.2562 2070.6803 1926.1781 110.4202 -206121.3038 17962.8940 0.0000 0.0000 34273.4750 -149069.4000 299.3188 -183342.8750 -148974.8380 299.2675 141.3353 173.1612 558272.5233 12.1349 11.9867 PRESSURE: 4694200 154.032 51.1053 -195.275 51.1064 132.036 -116.666 -195.277 -116.666 -166.598 GPRESSURE: 4694200 213.236 29.9232 -167.331 82.0781 146.052 -138.74 -178.325 -70.681 -146.901 PRESSAVG: 4694200 -21.2756 -14.6886 100.941 -14.6887 69.6438 3.01275 100.941 3.01277 -59.1755 GPRESSAVG: 4694200 -19.97 -18.1342 101.825 -13.6321 69.9468 0.626262 101.221 4.4481 -60.496 TIMING: 4694200 CPU: 13640.8, 0.00292336/step Wall: 13640.8, 0.00292336/step, 0.248323 hours remaining, 208.464844 MB of memory in use. ENERGY: 4694200 753.1613 2062.9250 1988.2886 127.2543 -206119.0918 18005.3561 0.0000 0.0000 34214.9563 -148967.1502 298.8077 -183182.1065 -148875.2679 300.0121 39.8234 70.7958 558742.7378 -3.6024 -3.5064 PRESSURE: 4694400 -73.8496 146.774 -77.7364 146.772 90.0082 29.2583 -77.7376 29.2577 -451.721 GPRESSURE: 4694400 -10.0492 109.74 -71.4125 258.499 48.8063 17.4435 -44.8218 -41.222 -375.027 PRESSAVG: 4694400 18.8614 69.535 -51.6784 69.5349 103.979 38.0992 -51.6786 38.0993 -68.8371 GPRESSAVG: 4694400 18.528 70.0158 -53.3237 71.3475 103.625 38.4732 -49.9548 39.6097 -68.5238 TIMING: 4694400 CPU: 13641.3, 0.00288764/step Wall: 13641.3, 0.00288764/step, 0.245129 hours remaining, 208.464844 MB of memory in use. ENERGY: 4694400 758.5579 2061.8113 1936.1866 114.4690 -205988.5940 17850.2034 0.0000 0.0000 34373.6444 -148893.7214 300.1936 -183267.3658 -148795.1744 299.5220 -145.1876 -112.0899 558672.4481 18.0013 17.8764 PRESSURE: 4694600 -103.608 95.4607 -134.774 95.4612 -115.222 68.6494 -134.773 68.649 -69.1269 GPRESSURE: 4694600 -84.4248 60.0448 35.8776 147.631 -76.3405 41.4878 -161.346 100.855 -28.8456 PRESSAVG: 4694600 12.8124 47.6074 -8.786 47.6075 48.0987 27.9144 -8.78596 27.9144 -38.8175 GPRESSAVG: 4694600 11.4358 50.2628 -7.1346 43.2262 49.3127 28.7706 -11.0912 25.8094 -38.3801 TIMING: 4694600 CPU: 13641.9, 0.00289585/step Wall: 13641.9, 0.00289586/step, 0.245665 hours remaining, 208.464844 MB of memory in use. ENERGY: 4694600 743.3778 2086.4481 1971.5048 104.9544 -205725.9913 17535.9573 0.0000 0.0000 34355.8235 -148927.9253 300.0380 -183283.7488 -148831.1361 300.6265 -95.9854 -63.2036 557071.6777 7.3645 7.4561 PRESSURE: 4694800 -263.235 8.12971 -60.3112 8.12999 -227.825 120.256 -60.3097 120.256 34.3431 GPRESSURE: 4694800 -225.743 88.4284 -84.3367 -31.8668 -192.274 156.857 -61.7204 107.077 50.8021 PRESSAVG: 4694800 -24.1188 12.4497 -23.4619 12.4497 114.13 26.0381 -23.4619 26.0381 -42.9655 GPRESSAVG: 4694800 -24.1128 10.8805 -22.6828 14.8263 113.272 24.5259 -23.8605 24.4795 -42.2302 TIMING: 4694800 CPU: 13642.5, 0.00289703/step Wall: 13642.5, 0.00289703/step, 0.245604 hours remaining, 208.464844 MB of memory in use. ENERGY: 4694800 759.0123 2089.9443 1959.6946 108.9658 -206034.1404 17605.6519 0.0000 0.0000 34543.3477 -148967.5238 301.6756 -183510.8715 -148866.3642 299.9462 -152.2388 -122.4050 558044.9297 15.6819 15.6431 PRESSURE: 4695000 -105.242 -151.533 -24.5166 -151.533 -138.305 294.521 -24.5173 294.521 -103.242 GPRESSURE: 4695000 -55.903 -147.837 60.706 -190.632 -93.6176 261.252 -78.1101 368.344 -91.0353 PRESSAVG: 4695000 -71.1503 -63.1093 -59.5754 -63.1093 86.848 5.35018 -59.5753 5.35016 25.3979 GPRESSAVG: 4695000 -69.7002 -63.3357 -61.0955 -62.8994 87.4148 5.83278 -59.1235 7.12221 23.2183 TIMING: 4695000 CPU: 13643.1, 0.00290464/step Wall: 13643.1, 0.00290464/step, 0.246087 hours remaining, 208.464844 MB of memory in use. ENERGY: 4695000 773.3974 2069.5302 1968.7802 106.4424 -205842.0919 17688.5205 0.0000 0.0000 34425.6007 -148809.8204 300.6473 -183235.4212 -148719.4002 300.2195 -115.5965 -80.1853 558867.8048 13.6985 13.6443 PRESSURE: 4695200 59.3393 -43.0161 101.791 -43.0171 252.102 102.399 101.793 102.399 -7.62273 GPRESSURE: 4695200 66.6234 -0.115769 41.4607 -84.9548 286.639 32.9298 189.985 54.9782 45.1482 PRESSAVG: 4695200 -27.1181 -28.9869 6.02194 -28.987 3.45647 -6.94974 6.02195 -6.94967 4.14659 GPRESSAVG: 4695200 -27.8242 -29.1106 6.43086 -29.9176 2.827 -5.53876 6.99064 -7.21043 5.10267 TIMING: 4695200 CPU: 13643.7, 0.00290348/step Wall: 13643.7, 0.00290348/step, 0.245828 hours remaining, 208.464844 MB of memory in use. ENERGY: 4695200 708.5386 2096.4592 1934.9347 111.4647 -205935.6392 17820.2981 0.0000 0.0000 34459.9532 -148803.9909 300.9473 -183263.9441 -148712.3709 299.7484 101.2730 132.8035 556933.8103 -6.5050 -6.6315 PRESSURE: 4695400 -47.1235 6.70046 -11.0416 6.69949 -182.277 -35.8605 -11.0399 -35.8593 -102.734 GPRESSURE: 4695400 -3.96116 65.2209 50.9754 -3.79017 -157.385 -97.8832 -29.5839 5.04064 -76.5597 PRESSAVG: 4695400 56.9479 -19.0606 -15.6564 -19.0605 -18.8923 -15.9327 -15.6564 -15.9327 3.70938 GPRESSAVG: 4695400 55.9335 -19.3286 -15.3254 -19.5768 -18.0905 -16.9286 -15.0197 -16.5538 3.55153 TIMING: 4695400 CPU: 13644.2, 0.0028965/step Wall: 13644.2, 0.0028965/step, 0.245076 hours remaining, 208.464844 MB of memory in use. ENERGY: 4695400 752.6580 2092.6373 1972.6679 117.1712 -205755.6709 17607.9103 0.0000 0.0000 34371.0442 -148841.5819 300.1709 -183212.6261 -148746.4819 300.3514 -110.7115 -79.3019 557458.0565 13.9216 13.7982 PRESSURE: 4695600 90.2431 29.7178 117.464 29.7178 -90.2472 6.60843 117.464 6.60799 42.655 GPRESSURE: 4695600 79.7066 38.7656 56.0847 36.4285 -26.1933 -68.3794 95.1694 95.8105 95.7251 PRESSAVG: 4695600 -3.46732 -1.43572 21.5504 -1.43576 -47.0998 48.2898 21.5504 48.2898 7.47468 GPRESSAVG: 4695600 -2.9057 -0.954742 22.4522 0.361985 -47.9008 49.692 19.4682 48.7946 7.72154 TIMING: 4695600 CPU: 13644.8, 0.00290847/step Wall: 13644.8, 0.00290847/step, 0.245928 hours remaining, 208.464844 MB of memory in use. ENERGY: 4695600 727.1666 2028.8732 1937.8227 109.5312 -205704.8432 17743.0343 0.0000 0.0000 34311.1626 -148847.2526 299.6479 -183158.4152 -148755.0386 299.9410 14.2170 49.7461 557618.6733 -14.3641 -14.3617 PRESSURE: 4695800 59.976 185.557 59.5546 185.557 -137.676 121.788 59.5547 121.788 155.312 GPRESSURE: 4695800 62.2942 168.952 67.2818 89.5707 -35.922 109.609 45.5966 128.328 149.232 PRESSAVG: 4695800 56.7731 -10.9321 -19.566 -10.9321 -104.868 36.9421 -19.5661 36.942 38.6685 GPRESSAVG: 4695800 56.0235 -10.9019 -20.8409 -11.6633 -103.734 35.1723 -18.4639 36.712 38.4101 TIMING: 4695800 CPU: 13645.4, 0.00289883/step Wall: 13645.4, 0.00289883/step, 0.244951 hours remaining, 208.464844 MB of memory in use. ENERGY: 4695800 793.5614 2080.2057 1916.0120 123.9401 -205796.1689 17863.2791 0.0000 0.0000 34301.1880 -148717.9826 299.5608 -183019.1706 -148624.4480 299.8047 25.8705 58.5348 557161.8812 -3.1421 -3.1000 PRESSURE: 4696000 49.1901 -64.5979 99.2442 -64.5976 -71.5215 214.637 99.2432 214.638 -30.1427 GPRESSURE: 4696000 89.5124 -105.435 135.98 -30.8174 -88.4868 227.732 94.7694 213.947 33.0455 PRESSAVG: 4696000 1.67572 11.343 -31.8001 11.343 11.0327 69.5264 -31.8001 69.5265 -18.9743 GPRESSAVG: 4696000 3.5591 12.1464 -30.8111 11.9327 9.61128 72.3543 -31.5949 69.8847 -18.8855 TIMING: 4696000 CPU: 13646, 0.00291825/step Wall: 13646, 0.00291825/step, 0.24643 hours remaining, 208.464844 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: 4696000 764.8472 2090.3289 1957.1599 101.0994 -205932.0742 17662.3443 0.0000 0.0000 34659.8755 -148696.4192 302.6933 -183356.2946 -148603.9644 300.0430 -17.4913 11.3570 557158.4327 -2.0886 -1.9051 PRESSURE: 4696200 145.453 -13.7109 63.1229 -13.7103 -265.897 126.432 63.1228 126.431 -215.608 GPRESSURE: 4696200 121.444 25.698 30.941 -53.1426 -186.036 35.6001 96.9541 112.278 -173.477 PRESSAVG: 4696200 -32.3431 -53.6429 9.6488 -53.6429 3.18659 -4.4319 9.6488 -4.43187 5.99407 GPRESSAVG: 4696200 -33.3526 -55.0531 8.51204 -54.0234 2.8589 -7.06557 9.48118 -4.71243 7.27817 TIMING: 4696200 CPU: 13646.6, 0.00289028/step Wall: 13646.6, 0.00289028/step, 0.243908 hours remaining, 208.535156 MB of memory in use. ENERGY: 4696200 767.5226 2084.8885 1961.5661 118.5693 -205846.1787 17558.4132 0.0000 0.0000 34518.7326 -148836.4864 301.4607 -183355.2191 -148737.9613 300.5925 -112.0175 -79.3563 558230.2055 -7.7208 -7.7385 LDB: ============= START OF LOAD BALANCING ============== 13650 LDB: ============== END OF LOAD BALANCING =============== 13650 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13650 LDB: ============= START OF LOAD BALANCING ============== 13650.3 LDB: Largest compute 4848 load 0.030569 is 25.9% of average load 0.117855 LDB: Average compute 0.001736 is 1.5% of average load 0.117855 LDB: TIME 13650.3 LOAD: AVG 0.117855 MAX 0.188257 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 13650.3 LOAD: AVG 0.117855 MAX 0.188257 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: TIME 13650.3 LOAD: AVG 0.117855 MAX 0.188257 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13650.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13650.3 PRESSURE: 4696400 -69.5564 -20.1294 54.8188 -20.1284 12.3013 145.148 54.8182 145.147 -32.8544 GPRESSURE: 4696400 -33.0505 -38.1433 42.6566 6.28322 -9.28438 102.161 64.5336 134.894 47.5987 PRESSAVG: 4696400 17.2709 5.93728 16.2189 5.9372 13.184 -16.5485 16.2189 -16.5485 -73.2957 GPRESSAVG: 4696400 16.3416 5.75117 17.669 6.94477 13.8077 -16.6508 16.3895 -15.2239 -72.67 TIMING: 4696400 CPU: 13647.2, 0.00296333/step Wall: 13647.2, 0.00296333/step, 0.249907 hours remaining, 209.218750 MB of memory in use. ENERGY: 4696400 716.5065 2091.3508 1945.2555 112.6230 -205860.4070 17726.7105 0.0000 0.0000 34433.2168 -148834.7439 300.7138 -183267.9607 -148742.0576 300.5798 -30.0365 1.7546 557652.3045 -14.2803 -14.1735 PRESSURE: 4696600 -66.5902 56.768 98.0121 56.7686 38.0243 -42.1782 98.0119 -42.1781 122.215 GPRESSURE: 4696600 -0.539006 77.5713 77.2872 -92.1987 89.682 -15.8574 194.745 -48.043 114.327 PRESSAVG: 4696600 24.2145 -22.765 23.6502 -22.7651 54.0056 24.2537 23.6502 24.2536 -77.3453 GPRESSAVG: 4696600 25.1712 -21.975 21.8333 -25.2103 54.7176 25.5746 24.8817 23.0545 -78.9097 TIMING: 4696600 CPU: 13647.7, 0.00290278/step Wall: 13647.7, 0.00290278/step, 0.24464 hours remaining, 209.289062 MB of memory in use. ENERGY: 4696600 719.6438 2070.9637 1939.2699 102.6572 -205825.0542 17808.4120 0.0000 0.0000 34308.2481 -148875.8595 299.6225 -183184.1076 -148781.4850 300.5177 31.2165 67.8232 558363.2519 0.2916 0.3264 PRESSURE: 4696800 -164.545 -26.1694 56.4964 -26.1699 -165.304 -91.5664 56.495 -91.5672 33.9014 GPRESSURE: 4696800 -113.222 5.40247 75.6239 52.519 -147.858 -43.9726 27.4903 -128.028 57.6999 PRESSAVG: 4696800 9.45722 -29.6975 14.831 -29.6976 -32.1368 39.4637 14.8311 39.4637 26.2909 GPRESSAVG: 4696800 9.27966 -30.0808 16.6327 -27.4354 -32.8297 38.2715 13.9176 39.2792 26.9798 TIMING: 4696800 CPU: 13648.3, 0.00288915/step Wall: 13648.3, 0.00288915/step, 0.24333 hours remaining, 209.289062 MB of memory in use. ENERGY: 4696800 758.1662 2068.0151 1939.1439 105.6685 -206012.8315 17707.3808 0.0000 0.0000 34586.5638 -148847.8932 302.0531 -183434.4570 -148756.5987 300.5277 -98.6493 -67.7932 558708.2930 1.2038 1.1432 PRESSURE: 4697000 296.358 -84.7432 -20.3956 -84.7437 -114.123 113.323 -20.3955 113.323 -143.207 GPRESSURE: 4697000 269.633 -26.2843 -88.684 -116.122 -51.1927 76.7874 -28.2794 27.2077 -82.8399 PRESSAVG: 4697000 34.3158 -21.1977 13.1555 -21.1976 -99.7042 46.2407 13.1554 46.2407 93.0576 GPRESSAVG: 4697000 33.9913 -23.0843 12.0493 -21.115 -98.5518 46.3952 11.7239 45.7251 93.3211 TIMING: 4697000 CPU: 13648.9, 0.00289896/step Wall: 13648.9, 0.00289896/step, 0.243996 hours remaining, 209.289062 MB of memory in use. ENERGY: 4697000 767.8841 2062.4767 1934.4458 105.1559 -206130.5633 17767.1364 0.0000 0.0000 34579.5407 -148913.9237 301.9917 -183493.4644 -148813.9759 300.8728 13.0093 45.2000 557982.0164 9.2231 9.5869 PRESSURE: 4697200 -111.058 -179.869 -45.8583 -179.869 261.42 33.1768 -45.8587 33.1764 225.714 GPRESSURE: 4697200 -175.705 -144.088 -49.5306 -187.494 295.487 14.6625 -25.0057 105.968 354.381 PRESSAVG: 4697200 16.1158 -32.0872 -56.0377 -32.0873 -36.804 -18.513 -56.0376 -18.5129 19.4773 GPRESSAVG: 4697200 17.8311 -31.577 -55.1881 -31.0379 -37.1148 -17.7326 -55.2872 -18.6917 18.1252 TIMING: 4697200 CPU: 13649.5, 0.00292617/step Wall: 13649.5, 0.00292617/step, 0.246124 hours remaining, 209.289062 MB of memory in use. ENERGY: 4697200 720.9840 2154.1271 1956.4061 119.6005 -206686.6060 18086.3809 0.0000 0.0000 34533.5958 -149115.5117 301.5905 -183649.1075 -149016.4449 300.2666 125.3589 158.0544 556217.5233 -0.4036 -0.3862 PRESSURE: 4697400 -125.228 44.7879 63.8419 44.7878 256.082 33.4994 63.8424 33.4999 86.0928 GPRESSURE: 4697400 -95.1479 -2.67972 136.843 31.1591 232.043 79.6161 49.5436 -27.9467 167.727 PRESSAVG: 4697400 12.1076 -43.7345 74.306 -43.7345 -44.7503 -70.1816 74.3061 -70.1816 15.4749 GPRESSAVG: 4697400 11.8766 -43.3436 74.6512 -44.6088 -45.5153 -69.0271 73.7425 -71.6212 16.4519 TIMING: 4697400 CPU: 13650.1, 0.00292414/step Wall: 13650.1, 0.00292414/step, 0.24579 hours remaining, 209.289062 MB of memory in use. ENERGY: 4697400 745.4023 2118.5184 1966.8796 106.5718 -206127.7821 17820.5410 0.0000 0.0000 34358.4661 -149011.4029 300.0610 -183369.8689 -148917.2228 299.7205 72.3155 101.5405 555861.9969 -5.7226 -5.7289 PRESSURE: 4697600 56.5238 -147.586 11.2983 -147.587 88.2783 133.914 11.2979 133.913 114.881 GPRESSURE: 4697600 72.0499 -96.7743 -15.9547 -127.349 58.2372 109.337 -12.7108 137.969 225.158 PRESSAVG: 4697600 -33.2164 -78.8191 21.2754 -78.819 48.841 52.6486 21.2754 52.6486 -2.07155 GPRESSAVG: 4697600 -32.556 -79.3446 20.4178 -80.4193 48.9529 50.6012 21.9915 54.8929 -2.91854 TIMING: 4697600 CPU: 13650.6, 0.00290772/step Wall: 13650.6, 0.00290772/step, 0.244248 hours remaining, 209.289062 MB of memory in use. ENERGY: 4697600 748.6079 2104.4563 1967.7914 101.7254 -206292.2682 18002.4854 0.0000 0.0000 34515.1978 -148852.0041 301.4298 -183367.2018 -148765.4675 300.6827 86.5610 118.4815 556888.6955 4.5177 4.4928 PRESSURE: 4697800 -265.453 -43.8414 -130.889 -43.8404 77.4284 -90.8621 -130.889 -90.8618 -2.79591 GPRESSURE: 4697800 -256.756 -147.959 -126.382 10.1252 100.211 -136.792 -199.636 -80.5678 63.4367 PRESSAVG: 4697800 -30.6506 2.94939 -0.650721 2.94942 14.1099 -5.76515 -0.650665 -5.76507 31.9581 GPRESSAVG: 4697800 -30.6515 4.29337 -0.218597 5.84877 14.5034 -3.01946 -0.148933 -6.29088 32.0299 TIMING: 4697800 CPU: 13651.2, 0.00289967/step Wall: 13651.2, 0.00289967/step, 0.243411 hours remaining, 209.289062 MB of memory in use. ENERGY: 4697800 755.0261 2119.0180 1938.5269 111.2870 -205810.1498 17518.6150 0.0000 0.0000 34456.2084 -148911.4685 300.9146 -183367.6768 -148812.4084 300.8341 -63.6067 -31.0359 558036.2295 5.1391 5.2939 PRESSURE: 4698000 170.417 -37.3312 9.4929 -37.332 26.1319 62.4354 9.49273 62.4359 382.863 GPRESSURE: 4698000 183.039 -28.2501 83.1233 -40.3563 101.854 61.7503 -34.6287 22.5417 398.789 PRESSAVG: 4698000 -39.128 13.7762 -65.9886 13.7762 21.9884 -1.07307 -65.9886 -1.07299 18.3408 GPRESSAVG: 4698000 -39.3753 13.2945 -65.4621 11.9763 21.9625 -2.64508 -64.2498 -1.1389 18.27 TIMING: 4698000 CPU: 13651.8, 0.00289208/step Wall: 13651.8, 0.00289208/step, 0.242614 hours remaining, 209.289062 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: 4698000 721.6267 2055.7778 1975.5844 103.2120 -206189.9456 18033.1462 0.0000 0.0000 34268.8699 -149031.7286 299.2786 -183300.5985 -148936.0398 300.1659 193.1373 227.8941 556736.4939 0.4004 0.2857 PRESSURE: 4698200 -51.3454 -216.218 -34.1989 -216.219 -51.8053 -16.0024 -34.1982 -16.0024 -126.653 GPRESSURE: 4698200 9.22554 -185.126 27.5144 -233.79 -24.8406 13.9922 -62.5036 -46.4474 -105.443 PRESSAVG: 4698200 17.1966 24.4477 -16.8425 24.4476 -25.6638 -69.7719 -16.8425 -69.772 -25.2187 GPRESSAVG: 4698200 16.957 26.0923 -17.996 23.7271 -26.5337 -68.7449 -17.5813 -71.5843 -24.0868 TIMING: 4698200 CPU: 13652.4, 0.00288361/step Wall: 13652.4, 0.00288361/step, 0.241742 hours remaining, 209.289062 MB of memory in use. ENERGY: 4698200 752.8855 2108.6178 1953.9693 120.7656 -205809.6772 17722.3410 0.0000 0.0000 34084.8305 -149066.2674 297.6713 -183151.0979 -148968.4389 300.0212 -76.6011 -40.3526 558458.2860 -11.2286 -11.2212 PRESSURE: 4698400 168.349 54.0676 -79.4251 54.067 -96.8949 -222.345 -79.4249 -222.346 222.605 GPRESSURE: 4698400 130.215 72.4503 -96.2797 52.4303 -20.8843 -252.907 -102.685 -217.325 287.706 PRESSAVG: 4698400 15.3044 58.2785 -14.6604 58.2785 -22.4695 7.21501 -14.6604 7.21485 -4.13676 GPRESSAVG: 4698400 14.9241 56.587 -15.0202 58.4643 -21.0908 8.42768 -14.8595 6.63681 -5.43957 TIMING: 4698400 CPU: 13653, 0.00292704/step Wall: 13653, 0.00292704/step, 0.245221 hours remaining, 209.289062 MB of memory in use. ENERGY: 4698400 747.0893 2105.5087 1982.1475 110.9112 -206066.3890 17748.8085 0.0000 0.0000 34336.9542 -149034.9696 299.8732 -183371.9238 -148934.9676 300.1630 98.0198 132.3455 555507.4248 -3.7673 -3.8687 PRESSURE: 4698600 146.429 69.263 32.7923 69.2624 122.467 -178.133 32.7923 -178.133 108.475 GPRESSURE: 4698600 159.772 113.139 26.4581 -22.6705 152.06 -147.612 20.5197 -166.286 162.448 PRESSAVG: 4698600 21.2983 27.7343 10.7318 27.7342 36.6435 10.7956 10.7318 10.7955 -8.29234 GPRESSAVG: 4698600 21.1681 28.2278 12.2725 27.0664 36.1396 7.27259 10.4617 11.3711 -8.04627 TIMING: 4698600 CPU: 13653.5, 0.00290817/step Wall: 13653.5, 0.00290817/step, 0.243478 hours remaining, 209.289062 MB of memory in use. ENERGY: 4698600 733.4213 2146.7064 1978.9098 122.2966 -206108.4422 17728.2320 0.0000 0.0000 34382.6045 -149016.2716 300.2718 -183398.8760 -148920.1544 300.5282 125.7902 158.0932 554612.0318 16.5498 16.4205 PRESSURE: 4698800 -24.3487 130.836 -110.576 130.836 49.9289 104.181 -110.576 104.182 -265.146 GPRESSURE: 4698800 -13.7585 168.214 -101.543 154.701 110.38 152.545 -83.9203 86.5443 -232.319 PRESSAVG: 4698800 57.7584 33.4747 -15.0658 33.4747 -0.308739 -4.47993 -15.0658 -4.47992 -36.6938 GPRESSAVG: 4698800 58.7054 32.5296 -14.5902 36.2196 -0.728138 -2.80507 -15.389 -4.31987 -37.6801 TIMING: 4698800 CPU: 13654.1, 0.00290695/step Wall: 13654.1, 0.00290695/step, 0.243215 hours remaining, 209.289062 MB of memory in use. ENERGY: 4698800 731.4904 2174.1072 1958.3031 110.7292 -206190.8073 17682.1956 0.0000 0.0000 34366.9368 -149167.0451 300.1350 -183533.9819 -149068.0333 300.2847 -79.8552 -45.2324 555924.4232 6.9186 6.7657 PRESSURE: 4699000 -103.761 136.004 -176.239 136.004 -288.648 -68.8753 -176.239 -68.8755 -140.492 GPRESSURE: 4699000 -128.387 146.847 -190.117 70.7436 -195.485 -125.195 -164.236 -13.6531 -125.429 PRESSAVG: 4699000 33.8314 9.59912 -54.676 9.59908 68.0747 19.7344 -54.676 19.7344 -42.8906 GPRESSAVG: 4699000 33.4254 10.8166 -56.9808 5.98949 68.3976 18.4542 -55.455 21.3782 -43.2058 TIMING: 4699000 CPU: 13654.7, 0.00289676/step Wall: 13654.7, 0.00289676/step, 0.242201 hours remaining, 209.289062 MB of memory in use. ENERGY: 4699000 737.6050 2174.7987 1934.6678 118.7729 -205936.7220 17585.4886 0.0000 0.0000 34202.3820 -149183.0071 298.6979 -183385.3892 -149083.8412 300.1708 -177.6338 -149.7673 558455.6401 19.6718 19.5391 PRESSURE: 4699200 28.126 -11.1167 -80.7221 -11.1161 126.396 -97.727 -80.7213 -97.727 -57.7777 GPRESSURE: 4699200 76.6594 -20.8025 -8.83509 10.651 136.24 -45.7536 -73.3928 -111.836 -27.0868 PRESSAVG: 4699200 -16.1603 14.2968 5.40849 14.2967 -0.687363 44.8339 5.40854 44.834 -10.0383 GPRESSAVG: 4699200 -15.6873 12.2652 5.80886 17.1705 -2.47147 44.4035 5.08843 43.7198 -8.81861 TIMING: 4699200 CPU: 13655.3, 0.0029174/step Wall: 13655.3, 0.0029174/step, 0.243765 hours remaining, 209.289062 MB of memory in use. ENERGY: 4699200 729.8893 2145.4042 1959.4814 114.1850 -206116.4445 17792.4697 0.0000 0.0000 34281.4399 -149093.5751 299.3883 -183375.0150 -149008.5669 299.8218 32.2483 61.9374 557713.1758 -8.9620 -8.9925 PRESSURE: 4699400 -61.4556 120.379 -241.16 120.379 -32.9615 143.537 -241.16 143.537 -102.019 GPRESSURE: 4699400 -66.6843 78.259 -173.785 184.995 17.6476 189.488 -233.698 88.5568 -67.7529 PRESSAVG: 4699400 -18.6459 14.917 25.1049 14.917 22.3599 -36.7187 25.1048 -36.7188 0.396683 GPRESSAVG: 4699400 -19.3753 17.0909 26.1164 12.4462 23.305 -33.9752 26.3192 -37.3286 -0.291653 TIMING: 4699400 CPU: 13655.9, 0.00295469/step Wall: 13655.9, 0.00295469/step, 0.246717 hours remaining, 209.289062 MB of memory in use. ENERGY: 4699400 735.2320 2109.5645 1964.6809 108.5951 -206090.7337 17756.8522 0.0000 0.0000 34334.8561 -149080.9530 299.8548 -183415.8091 -148984.1991 299.6073 -65.4786 -38.9299 558000.2352 1.3702 1.2127 PRESSURE: 4699600 217.293 18.9214 -38.1391 18.9211 292.926 -95.4032 -38.1396 -95.4025 421.209 GPRESSURE: 4699600 276.767 14.7854 -51.3154 80.9306 326.549 -78.1767 10.6984 -52.8062 416.129 PRESSAVG: 4699600 17.4093 7.30967 33.729 7.30971 -44.1494 -54.4509 33.7291 -54.4509 38.8276 GPRESSAVG: 4699600 17.4596 6.0595 32.6708 8.7772 -43.3907 -54.8306 31.619 -54.6666 38.387 TIMING: 4699600 CPU: 13656.5, 0.00292695/step Wall: 13656.5, 0.00292695/step, 0.244238 hours remaining, 209.289062 MB of memory in use. ENERGY: 4699600 714.0315 2143.6208 1968.8530 111.6442 -206748.7948 18279.6080 0.0000 0.0000 34462.3308 -149068.7064 300.9681 -183531.0372 -148977.1938 300.0056 310.4761 339.8152 555238.2019 4.0292 4.1520 PRESSURE: 4699800 -7.05009 -98.4391 -162.578 -98.4404 -22.6387 -29.9456 -162.577 -29.9442 74.313 GPRESSURE: 4699800 -11.4607 -137.838 -89.3143 -42.2213 47.9028 -46.7579 -157.181 -33.0758 100.654 PRESSAVG: 4699800 3.75857 -23.8472 -1.54801 -23.8472 -0.322224 -78.9471 -1.54799 -78.9472 11.2857 GPRESSAVG: 4699800 2.78333 -23.7519 -0.544297 -21.0529 0.442277 -81.2666 -1.99399 -78.0466 12.1538 TIMING: 4699800 CPU: 13657.1, 0.00291305/step Wall: 13657.1, 0.00291305/step, 0.242916 hours remaining, 209.289062 MB of memory in use. ENERGY: 4699800 763.0663 2094.2367 1950.1398 129.5516 -206440.2637 17898.7215 0.0000 0.0000 34288.1379 -149316.4100 299.4468 -183604.5479 -149220.2104 299.6507 14.8747 45.6987 556740.1495 4.9073 5.1265 PRESSURE: 4700000 -48.092 -82.1605 -36.8379 -82.1604 -141.064 103.575 -36.8384 103.574 -39.1136 GPRESSURE: 4700000 14.8298 -130.979 -133.311 -75.6968 -136.78 146.155 -4.87957 46.1535 -10.7236 PRESSAVG: 4700000 -26.1425 31.9472 -32.6944 31.9472 -30.0946 27.9813 -32.6944 27.9812 63.6128 GPRESSAVG: 4700000 -24.9057 31.7769 -34.4358 28.8653 -30.6988 28.4432 -31.3467 28.9294 62.5488 TIMING: 4700000 CPU: 13657.6, 0.00293158/step Wall: 13657.6, 0.00293158/step, 0.244299 hours remaining, 209.289062 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: 4700000 751.3425 2115.0729 1939.5435 114.6991 -206308.7694 17725.0076 0.0000 0.0000 34221.9580 -149441.1458 298.8689 -183663.1037 -149341.5195 298.9889 -76.0898 -44.2247 557041.8839 2.4585 2.3148 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.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 -228.368 -14.3551 -115.773 -14.3542 -259.892 -10.1838 -115.773 -10.1841 -109.043 GPRESSURE: 4700200 -217.438 -18.9849 -158.749 -67.4263 -171.979 -38.0773 -36.3349 -90.8279 -110.407 PRESSAVG: 4700200 32.9927 -16.3731 4.01385 -16.3731 -33.7491 -11.5928 4.01383 -11.5929 25.3408 GPRESSAVG: 4700200 32.597 -14.5134 3.04048 -16.8042 -34.2121 -10.276 4.65673 -14.2936 26.0988 TIMING: 4700200 CPU: 13658.2, 0.00300329/step Wall: 13658.2, 0.00300329/step, 0.250107 hours remaining, 209.289062 MB of memory in use. ENERGY: 4700200 785.8011 2059.3635 1941.8063 124.3196 -205979.5530 17516.2932 0.0000 0.0000 34283.2606 -149268.7088 299.4042 -183551.9694 -149173.1515 299.1322 -199.1010 -166.6077 558701.2286 8.1948 8.1612 LDB: ============= START OF LOAD BALANCING ============== 13661.7 LDB: ============== END OF LOAD BALANCING =============== 13661.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13661.7 LDB: ============= START OF LOAD BALANCING ============== 13662 LDB: Largest compute 4848 load 0.030489 is 25.9% of average load 0.117900 LDB: Average compute 0.001732 is 1.5% of average load 0.117900 LDB: TIME 13662 LOAD: AVG 0.1179 MAX 0.183844 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 13662 LOAD: AVG 0.1179 MAX 0.183844 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.879 MB LDB: TIME 13662 LOAD: AVG 0.1179 MAX 0.183844 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.879 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13662 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13662 PRESSURE: 4700400 298.135 -29.8917 -46.0409 -29.8922 -31.1937 130.812 -46.0411 130.812 257.143 GPRESSURE: 4700400 330.581 -79.9527 -69.5612 -53.1629 42.4094 176.702 17.8557 90.008 250.941 PRESSAVG: 4700400 -16.8453 -23.3324 36.3067 -23.3325 0.83181 -3.56981 36.3068 -3.56976 38.6075 GPRESSAVG: 4700400 -18.0559 -24.4488 37.5121 -22.466 1.63671 -5.16322 34.7868 -1.20505 38.7586 TIMING: 4700400 CPU: 13658.8, 0.00297422/step Wall: 13658.8, 0.00297422/step, 0.247521 hours remaining, 206.960938 MB of memory in use. ENERGY: 4700400 747.2679 2031.3275 1956.1318 109.6517 -206567.6120 17985.0414 0.0000 0.0000 34355.0634 -149383.1283 300.0313 -183738.1917 -149283.0792 298.0647 174.6947 207.9771 556112.5440 7.5313 7.4465 PRESSURE: 4700600 52.0882 45.8845 250.222 45.8833 -213.316 47.7752 250.222 47.7747 29.7732 GPRESSURE: 4700600 94.1847 99.4687 229.779 21.8928 -162.104 44.364 255.177 -64.9035 36.5164 PRESSAVG: 4700600 36.9188 -47.734 -7.63674 -47.7339 -60.7574 -0.992558 -7.63677 -0.992568 -2.56153 GPRESSAVG: 4700600 37.046 -48.2221 -7.44914 -47.4794 -60.9126 -0.165561 -7.17794 -0.419087 -2.36917 TIMING: 4700600 CPU: 13659.4, 0.00291518/step Wall: 13659.4, 0.00291518/step, 0.242446 hours remaining, 206.960938 MB of memory in use. ENERGY: 4700600 752.9108 2084.5988 1949.9088 107.8765 -206275.3088 17687.5033 0.0000 0.0000 34314.6603 -149377.8503 299.6785 -183692.5106 -149285.0815 298.6454 -43.8181 -10.4677 556314.3797 -8.8000 -8.7453 PRESSURE: 4700800 -128.32 142.945 101.051 142.947 65.2355 -12.8855 101.049 -12.8846 42.7555 GPRESSURE: 4700800 -53.4447 119.084 -34.4577 99.8629 72.9853 -17.8952 117.478 -110.78 55.9147 PRESSAVG: 4700800 2.72998 7.12975 26.066 7.12962 -23.9409 -5.73129 26.0659 -5.73133 54.3032 GPRESSAVG: 4700800 2.68684 7.51462 27.4618 6.25572 -24.3155 -7.47793 24.8115 -5.30207 54.6658 TIMING: 4700800 CPU: 13660, 0.00290393/step Wall: 13660, 0.00290393/step, 0.241349 hours remaining, 206.960938 MB of memory in use. ENERGY: 4700800 749.6453 2079.1798 1939.7428 113.4513 -206389.6446 18071.1497 0.0000 0.0000 34298.4435 -149138.0320 299.5368 -183436.4755 -149033.3542 299.2339 -6.7764 25.1517 557688.5506 11.0308 11.0124 PRESSURE: 4701000 75.7993 -73.8126 -71.8254 -73.813 129.152 -7.44668 -71.8246 -7.44571 121.338 GPRESSURE: 4701000 44.9926 -34.1626 -105.118 -125.887 125.072 87.6696 -78.8996 -124.904 239.5 PRESSAVG: 4701000 -4.5614 0.834836 36.7983 0.834827 28.4463 -20.1053 36.7982 -20.1054 -1.67245 GPRESSAVG: 4701000 -3.67426 -0.785459 36.9122 2.71561 27.9138 -18.2627 36.8673 -19.7706 -1.41779 TIMING: 4701000 CPU: 13660.6, 0.00292995/step Wall: 13660.6, 0.00292995/step, 0.243349 hours remaining, 206.960938 MB of memory in use. ENERGY: 4701000 759.9688 2069.1207 1934.0525 102.8933 -206167.2915 17960.4585 0.0000 0.0000 34182.7018 -149158.0960 298.5260 -183340.7978 -149067.8217 299.7688 108.7633 136.5215 557169.6441 7.4041 7.6073 PRESSURE: 4701200 64.5495 92.9309 -65.9144 92.9314 49.7261 87.155 -65.9136 87.1537 -184.169 GPRESSURE: 4701200 63.1115 102.011 -19.5878 65.0276 133.563 77.801 -38.513 53.6812 -160.31 PRESSAVG: 4701200 -32.5945 -23.9153 -22.5554 -23.9154 49.9831 5.96753 -22.5553 5.9674 -1.73781 GPRESSAVG: 4701200 -32.9944 -20.7305 -24.2314 -27.0063 50.4993 7.71398 -20.6309 2.5877 -2.18939 TIMING: 4701200 CPU: 13661.2, 0.00291626/step Wall: 13661.2, 0.00291626/step, 0.24205 hours remaining, 206.960938 MB of memory in use. ENERGY: 4701200 726.1312 2090.5729 1932.4986 111.4209 -205920.0619 17723.1490 0.0000 0.0000 34095.7816 -149240.5077 297.7669 -183336.2893 -149146.3209 299.0226 -23.2977 12.1214 557419.5265 5.2170 5.1052 PRESSURE: 4701400 106.95 93.5995 82.4993 93.599 -48.0531 26.4531 82.499 26.4528 -18.9689 GPRESSURE: 4701400 131.197 189.544 87.6264 43.9884 -66.7442 -14.983 115.043 47.1978 64.7432 PRESSAVG: 4701400 -37.5392 -12.0361 27.365 -12.0361 48.8405 25.5679 27.365 25.5679 22.9696 GPRESSAVG: 4701400 -37.8684 -13.405 27.4435 -10.2164 48.9287 22.0384 27.1902 26.8968 22.5835 TIMING: 4701400 CPU: 13661.7, 0.00288602/step Wall: 13661.7, 0.00288602/step, 0.239379 hours remaining, 206.960938 MB of memory in use. ENERGY: 4701400 735.4145 2089.8027 1938.9613 107.0616 -205913.1696 17789.7881 0.0000 0.0000 34077.9667 -149174.1746 297.6114 -183252.1413 -149077.9807 298.9255 13.3092 43.0652 557379.0893 11.4236 11.2146 PRESSURE: 4701600 -286.205 167.85 -34.7919 167.85 118.845 -18.8731 -34.7907 -18.8735 90.6666 GPRESSURE: 4701600 -218.972 195.696 -43.8234 193.658 159.021 -57.347 -80.8259 49.9137 81.4969 PRESSAVG: 4701600 -13.1842 -10.4119 31.5525 -10.4118 10.0223 11.4268 31.5525 11.4269 42.9466 GPRESSAVG: 4701600 -12.2695 -10.6799 31.7231 -10.8042 9.32312 13.9339 29.7612 10.0799 43.2163 TIMING: 4701600 CPU: 13662.3, 0.00288877/step Wall: 13662.3, 0.00288877/step, 0.239447 hours remaining, 206.960938 MB of memory in use. ENERGY: 4701600 748.0778 2061.3806 1954.6362 105.5273 -206104.8131 17754.5767 0.0000 0.0000 34429.9063 -149050.7082 300.6849 -183480.6145 -148956.7185 300.0163 -25.5645 7.1818 558125.5297 13.2616 13.4233 PRESSURE: 4701800 134.61 36.9922 141.057 36.9921 -70.2521 -16.7668 141.057 -16.7667 -179.066 GPRESSURE: 4701800 223.58 5.14956 149.47 21.8036 -89.878 -59.15 113.892 -20.1308 -168.752 PRESSAVG: 4701800 -37.3549 7.2689 17.8643 7.26891 23.2124 -6.87509 17.8644 -6.87512 10.0953 GPRESSAVG: 4701800 -37.568 6.85955 19.0372 8.31978 23.2081 -8.32743 17.6717 -3.27862 9.87551 TIMING: 4701800 CPU: 13662.9, 0.00290001/step Wall: 13662.9, 0.00290001/step, 0.240218 hours remaining, 206.960938 MB of memory in use. ENERGY: 4701800 735.6538 2039.2912 1955.5223 108.6581 -205877.8924 17752.3141 0.0000 0.0000 34152.5053 -149133.9475 298.2623 -183286.4529 -149039.6339 299.3258 -38.2360 -11.6835 557648.8048 -1.3491 -1.4948 PRESSURE: 4702000 240.71 -12.4446 19.1292 -12.4454 -315.283 -58.4 19.1288 -58.4011 64.0306 GPRESSURE: 4702000 201.445 -67.6546 8.01361 34.1407 -253.378 35.9302 64.3967 -79.1204 143.891 PRESSAVG: 4702000 -16.9388 -26.026 57.0055 -26.0259 -46.0862 -61.6119 57.0057 -61.612 90.9247 GPRESSAVG: 4702000 -17.47 -24.4557 57.0442 -25.7691 -45.89 -62.3681 56.7961 -62.8598 91.3135 TIMING: 4702000 CPU: 13663.5, 0.00289767/step Wall: 13663.5, 0.00289768/step, 0.239863 hours remaining, 206.960938 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: 4702000 707.0251 2107.3214 1960.8476 109.1310 -206040.9077 17674.2222 0.0000 0.0000 34498.4260 -148983.9343 301.2833 -183482.3604 -148893.2858 299.1755 -3.5142 30.6528 558842.3032 9.2999 9.3178 PRESSURE: 4702200 68.8081 -121.285 -235.105 -121.285 137.464 -75.5063 -235.105 -75.5067 -35.6745 GPRESSURE: 4702200 90.8413 -95.647 -349.589 -188.168 140.15 -109.006 -181.416 -109.415 16.5484 PRESSAVG: 4702200 45.4406 -6.45328 -5.22269 -6.45323 -78.2486 -2.08059 -5.22271 -2.08063 49.687 GPRESSAVG: 4702200 45.6373 -6.76971 -7.54461 -7.87742 -77.716 -2.48856 -3.77417 -1.99062 48.8656 TIMING: 4702200 CPU: 13664.1, 0.00289651/step Wall: 13664.1, 0.00289651/step, 0.239606 hours remaining, 207.136719 MB of memory in use. ENERGY: 4702200 741.0637 2075.8021 1930.3302 119.3897 -206142.4061 17946.1236 0.0000 0.0000 34439.8025 -148889.8943 300.7714 -183329.6968 -148791.0483 299.7346 56.8658 82.5131 557193.6760 5.6263 5.5956 PRESSURE: 4702400 -74.2249 104.168 142.397 104.169 163.698 134.733 142.397 134.732 240.984 GPRESSURE: 4702400 11.4679 43.1096 115.973 79.0573 221.145 156.526 120.245 38.7605 208.349 PRESSAVG: 4702400 18.7991 -18.1703 -39.6553 -18.1702 23.9577 41.9432 -39.6553 41.9432 2.96427 GPRESSAVG: 4702400 18.2487 -19.568 -38.6402 -17.0391 23.6069 45.1133 -39.4594 41.2848 3.73788 TIMING: 4702400 CPU: 13664.6, 0.00292/step Wall: 13664.6, 0.00292/step, 0.241387 hours remaining, 207.136719 MB of memory in use. ENERGY: 4702400 731.7334 2104.1464 1941.5697 115.0718 -206378.0494 18083.4929 0.0000 0.0000 34436.0679 -148965.9674 300.7387 -183402.0353 -148868.1181 300.3605 110.1525 146.9874 557812.5771 15.2404 15.1978 PRESSURE: 4702600 -307.66 -77.9818 87.3067 -77.9809 87.9835 -45.9048 87.3071 -45.9045 -14.8393 GPRESSURE: 4702600 -271.02 -51.9908 215.183 2.79943 122.463 -69.1784 24.3888 46.2012 17.4429 PRESSAVG: 4702600 -63.0715 10.2149 7.25843 10.2148 33.3411 49.8785 7.25838 49.8785 -3.72503 GPRESSAVG: 4702600 -62.0813 10.5627 9.10182 10.563 33.8618 47.7202 6.09441 51.978 -4.77711 TIMING: 4702600 CPU: 13665.2, 0.0029245/step Wall: 13665.2, 0.0029245/step, 0.241596 hours remaining, 207.136719 MB of memory in use. ENERGY: 4702600 733.3743 2044.7259 1941.8364 114.3558 -205912.6925 17730.3354 0.0000 0.0000 34141.8989 -149206.1657 298.1697 -183348.0646 -149114.0044 299.8530 -78.1721 -43.7045 559634.2011 -11.1518 -10.9989 PRESSURE: 4702800 -306.355 110.347 -40.261 110.348 139.144 55.6403 -40.2622 55.639 -48.0264 GPRESSURE: 4702800 -306.848 112.08 45.7147 43.1437 224.715 76.1605 -89.7036 74.8893 -37.0606 PRESSAVG: 4702800 -75.6227 21.8534 -6.50235 21.8535 55.4748 22.2365 -6.50231 22.2365 -26.515 GPRESSAVG: 4702800 -74.9907 21.7377 -8.90167 20.4515 55.0453 20.5129 -6.05822 21.0197 -26.189 TIMING: 4702800 CPU: 13665.8, 0.0029205/step Wall: 13665.8, 0.0029205/step, 0.241104 hours remaining, 207.136719 MB of memory in use. ENERGY: 4702800 752.2983 2078.3576 1951.8203 117.7024 -206099.1051 17815.8237 0.0000 0.0000 34236.8576 -149146.2451 298.9990 -183383.1027 -149052.9760 298.4025 -71.7459 -39.7312 558960.6287 -15.5543 -15.3782 PRESSURE: 4703000 35.2403 3.42503 54.0535 3.42518 76.6401 36.0035 54.053 36.0029 93.7185 GPRESSURE: 4703000 81.1892 -13.4126 27.2816 -11.2845 84.9655 16.16 82.7911 36.5753 143.524 PRESSAVG: 4703000 -1.82707 26.8886 -38.295 26.8886 50.4585 -1.51608 -38.2949 -1.51614 -10.09 GPRESSAVG: 4703000 -2.41898 27.8683 -39.7474 27.2603 50.6512 0.819991 -37.0851 -2.32527 -9.73928 TIMING: 4703000 CPU: 13666.4, 0.00292696/step Wall: 13666.4, 0.00292696/step, 0.241474 hours remaining, 207.136719 MB of memory in use. ENERGY: 4703000 740.0993 2084.3191 1932.2553 115.3053 -206585.2086 18062.0879 0.0000 0.0000 34414.3089 -149236.8327 300.5487 -183651.1416 -149134.4380 299.0606 68.5330 103.2262 557328.7343 12.8472 12.8310 PRESSURE: 4703200 -118.105 -32.7213 81.0785 -32.7213 -182.745 -35.971 81.0784 -35.9728 -320.016 GPRESSURE: 4703200 -87.1264 31.7162 105.956 -75.415 -176.166 -19.0587 31.8732 -50.1258 -258.822 PRESSAVG: 4703200 -1.73569 -44.7858 3.85594 -44.786 -31.5002 -28.9253 3.85603 -28.9253 40.7173 GPRESSAVG: 4703200 -1.63304 -44.4893 5.41825 -45.0012 -31.3607 -29.1463 3.03912 -28.163 40.7781 TIMING: 4703200 CPU: 13667, 0.00293035/step Wall: 13667, 0.00293035/step, 0.241591 hours remaining, 207.136719 MB of memory in use. ENERGY: 4703200 742.3813 2084.1651 1931.8931 123.4256 -205773.6865 17423.0188 0.0000 0.0000 34074.9431 -149393.8595 297.5850 -183468.8026 -149303.1359 298.5783 -206.9555 -174.0381 559243.7338 2.4938 2.5948 PRESSURE: 4703400 -381.254 -156.775 90.2073 -156.775 45.1613 -153.978 90.2081 -153.977 -24.4215 GPRESSURE: 4703400 -389.026 -109.506 93.357 -90.4184 139.897 -17.7961 56.4159 -173.456 -19.986 PRESSAVG: 4703400 3.46002 -51.9815 39.2655 -51.9815 30.1689 0.179301 39.2654 0.179271 -24.0632 GPRESSAVG: 4703400 3.63051 -54.231 38.3895 -49.2486 29.3497 -0.54151 38.4907 -1.71457 -23.4436 TIMING: 4703400 CPU: 13667.6, 0.00294609/step Wall: 13667.6, 0.00294609/step, 0.242725 hours remaining, 207.136719 MB of memory in use. ENERGY: 4703400 714.4725 2031.2445 1955.7366 113.5394 -206053.9413 17592.6264 0.0000 0.0000 34307.7445 -149338.5774 299.6181 -183646.3219 -149254.5384 298.1044 -120.1713 -89.7049 557287.1765 3.1886 3.1789 PRESSURE: 4703600 -44.8766 11.2168 -31.0176 11.2172 327.055 -157.045 -31.0177 -157.045 206.048 GPRESSURE: 4703600 -5.62718 -54.5237 -5.33451 46.8226 327.955 -92.4903 -43.4436 -177.324 246.149 PRESSAVG: 4703600 -7.23682 -3.18164 25.4869 -3.18168 34.9322 -33.1804 25.4868 -33.1804 -2.95225 GPRESSAVG: 4703600 -6.76712 -0.184589 25.8751 -6.65807 35.42 -33.8673 26.398 -31.2412 -4.00376 TIMING: 4703600 CPU: 13668.2, 0.00291948/step Wall: 13668.2, 0.00291948/step, 0.24037 hours remaining, 207.136719 MB of memory in use. ENERGY: 4703600 729.7464 2036.5029 1972.6493 116.3448 -206825.7498 18151.3015 0.0000 0.0000 34441.2754 -149377.9292 300.7842 -183819.2047 -149285.6807 298.7837 162.7422 189.4924 557483.8358 8.2477 8.2164 PRESSURE: 4703800 5.22151 20.8523 -211.36 20.8528 330.064 -42.9303 -211.359 -42.9298 136.252 GPRESSURE: 4703800 -29.3756 60.3995 -173.522 -17.2422 333.142 -135.204 -222.09 -50.603 267.975 PRESSAVG: 4703800 -57.6525 -8.47625 -36.5771 -8.47625 51.0567 -34.045 -36.5771 -34.0449 38.4347 GPRESSAVG: 4703800 -58.0048 -8.87753 -36.2808 -8.91979 51.6756 -33.6461 -35.5612 -33.7098 39.0645 TIMING: 4703800 CPU: 13668.7, 0.00291511/step Wall: 13668.7, 0.00291511/step, 0.239849 hours remaining, 207.136719 MB of memory in use. ENERGY: 4703800 710.0968 2130.7534 1929.1612 113.0265 -206520.9353 18133.7661 0.0000 0.0000 33983.9573 -149520.1740 296.7904 -183504.1313 -149422.3077 298.0949 157.1794 190.5802 557455.6355 10.6130 10.9118 PRESSURE: 4704000 -237.795 -52.4588 65.1676 -52.4596 -319.859 -150.933 65.1685 -150.934 -312.062 GPRESSURE: 4704000 -236.735 -105.465 78.4809 24.5357 -293.704 -121.02 39.3221 -115.035 -238.277 PRESSAVG: 4704000 -10.987 -30.2279 -8.78024 -30.2278 41.3407 -20.0405 -8.78025 -20.0406 -29.9924 GPRESSAVG: 4704000 -10.5533 -31.6415 -9.98252 -30.5137 41.7738 -18.3167 -7.9607 -22.0669 -30.112 TIMING: 4704000 CPU: 13669.3, 0.00288828/step Wall: 13669.3, 0.00288828/step, 0.237481 hours remaining, 207.136719 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: 4704000 739.5688 2092.2528 1960.9809 116.2243 -206031.5494 17501.5568 0.0000 0.0000 34099.3510 -149521.6148 297.7981 -183620.9659 -149422.3657 298.1742 -289.9054 -256.2385 559145.4119 0.1204 0.3695 PRESSURE: 4704200 153.839 4.00769 33.6583 4.00694 -112.376 72.1246 33.6593 72.1238 -296.249 GPRESSURE: 4704200 214.172 64.4509 14.4436 -53.2765 -146.792 -22.3552 11.71 106.58 -229.373 PRESSAVG: 4704200 -32.4356 -44.0588 -10.8739 -44.0589 -14.9769 -17.5299 -10.8738 -17.5299 24.0395 GPRESSAVG: 4704200 -32.0152 -41.878 -9.81686 -42.81 -16.3565 -19.3352 -12.4758 -16.6921 24.7779 TIMING: 4704200 CPU: 13669.9, 0.00291397/step Wall: 13669.9, 0.00291397/step, 0.239431 hours remaining, 207.136719 MB of memory in use. ENERGY: 4704200 757.4690 2084.2259 1993.6909 107.9427 -206293.5693 17894.9885 0.0000 0.0000 34062.9527 -149392.2995 297.4802 -183455.2522 -149293.5324 298.6311 -84.9288 -53.9974 557610.0179 -7.7910 -7.8646 LDB: ============= START OF LOAD BALANCING ============== 13673.4 LDB: ============== END OF LOAD BALANCING =============== 13673.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.4 LDB: ============= START OF LOAD BALANCING ============== 13673.7 LDB: Largest compute 4848 load 0.032928 is 28.0% of average load 0.117800 LDB: Average compute 0.001744 is 1.5% of average load 0.117800 LDB: TIME 13673.7 LOAD: AVG 0.1178 MAX 0.179636 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.379 MB LDB: TIME 13673.7 LOAD: AVG 0.1178 MAX 0.179636 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: TIME 13673.7 LOAD: AVG 0.1178 MAX 0.179636 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.379 MB LDB: ============== END OF LOAD BALANCING =============== 13673.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.7 PRESSURE: 4704400 -27.1669 -138.53 2.41068 -138.528 157.824 -184.449 2.41059 -184.448 109.913 GPRESSURE: 4704400 31.5396 -104.247 -85.3538 -176.26 152.535 -221.434 39.1521 -118.283 155.629 PRESSAVG: 4704400 -12.1811 -37.0906 -8.28731 -37.0906 82.4844 -28.7311 -8.28741 -28.731 -68.1669 GPRESSAVG: 4704400 -11.6538 -38.3638 -7.72022 -37.3137 82.7016 -26.319 -10.3875 -31.2878 -69.2497 TIMING: 4704400 CPU: 13670.5, 0.00297916/step Wall: 13670.5, 0.00297916/step, 0.244622 hours remaining, 206.585938 MB of memory in use. ENERGY: 4704400 707.0283 2074.0805 1969.5397 120.9740 -206314.1982 17912.6091 0.0000 0.0000 34160.3581 -149369.6084 298.3309 -183529.9665 -149270.1727 298.8824 80.1901 113.2346 557500.0110 0.7122 0.5994 PRESSURE: 4704600 131.221 1.61303 132.595 1.61425 68.247 87.4991 132.594 87.4991 183.942 GPRESSURE: 4704600 204.179 29.7819 178.998 5.33534 69.7296 120.734 34.1718 202.264 212.003 PRESSAVG: 4704600 -43.7257 -20.5275 9.51122 -20.5276 15.1104 -53.0145 9.51119 -53.0145 48.3642 GPRESSAVG: 4704600 -44.9562 -21.843 8.98441 -20.4003 15.7458 -54.5447 11.6896 -52.8545 49.1235 TIMING: 4704600 CPU: 13671.1, 0.00291522/step Wall: 13671.1, 0.00291522/step, 0.23921 hours remaining, 206.789062 MB of memory in use. ENERGY: 4704600 790.5577 2055.6914 1950.3608 108.5567 -206668.4196 18202.7502 0.0000 0.0000 34049.1348 -149511.3680 297.3596 -183560.5028 -149413.8064 298.3723 127.8033 161.9704 556401.0858 6.5830 6.6377 PRESSURE: 4704800 36.8442 -301.246 -72.3523 -301.246 -110.715 63.1732 -72.3514 63.172 66.7961 GPRESSURE: 4704800 90.6574 -252.521 -96.2955 -307.257 -30.1882 59.469 -33.5979 37.0158 46.6 PRESSAVG: 4704800 -6.41402 -42.5942 -60.0787 -42.5942 -7.99918 -9.28024 -60.0788 -9.28027 7.33425 GPRESSAVG: 4704800 -5.67767 -41.1862 -61.2404 -42.7422 -7.56102 -8.9421 -60.179 -6.3681 6.19845 TIMING: 4704800 CPU: 13671.7, 0.00290114/step Wall: 13671.7, 0.00290114/step, 0.237893 hours remaining, 206.789062 MB of memory in use. ENERGY: 4704800 762.5368 2103.9303 1938.5270 105.9583 -206225.8795 17845.9891 0.0000 0.0000 34254.5778 -149214.3602 299.1537 -183468.9380 -149117.8779 298.8448 -2.3582 35.6898 556597.9614 -2.3596 -2.3467 PRESSURE: 4705000 -216.667 -21.2107 42.7918 -21.2104 -120.508 259.623 42.7912 259.622 -114.853 GPRESSURE: 4705000 -199.716 -29.1826 29.0118 -18.3039 -96.4785 194.671 113.194 212.266 -54.0623 PRESSAVG: 4705000 -27.3561 -46.2893 -52.1403 -46.2893 4.62804 12.5505 -52.1403 12.5505 69.38 GPRESSAVG: 4705000 -27.2817 -48.8868 -51.3651 -45.4497 3.54847 12.8251 -51.0341 11.6104 69.6717 TIMING: 4705000 CPU: 13672.2, 0.00290595/step Wall: 13672.2, 0.00290595/step, 0.238126 hours remaining, 206.789062 MB of memory in use. ENERGY: 4705000 774.3125 2057.0986 1977.6782 104.6697 -206181.3725 17608.3933 0.0000 0.0000 34347.0894 -149312.1309 299.9617 -183659.2202 -149217.1430 298.9896 -150.6759 -116.7522 557341.0921 15.5507 15.3128 PRESSURE: 4705200 124.668 -106.5 -145.859 -106.5 40.3375 3.70023 -145.859 3.69899 -195.342 GPRESSURE: 4705200 137.694 -127.205 -260.461 -152.124 66.5017 -21.8372 -119.177 -45.8086 -141.261 PRESSAVG: 4705200 -35.3292 11.3544 -39.4373 11.3544 0.167185 43.2196 -39.4373 43.2198 40.5603 GPRESSAVG: 4705200 -35.4133 12.6242 -38.3417 13.1264 0.599199 42.2331 -42.1382 43.4614 40.5344 TIMING: 4705200 CPU: 13672.8, 0.00289873/step Wall: 13672.8, 0.00289873/step, 0.237374 hours remaining, 206.789062 MB of memory in use. ENERGY: 4705200 753.3362 2100.6281 1950.0205 107.0083 -206407.6871 17793.6522 0.0000 0.0000 34482.7303 -149220.3116 301.1463 -183703.0419 -149118.4171 298.5369 -10.1122 20.9784 557111.0251 1.7994 1.9068 PRESSURE: 4705400 -169.641 -92.8676 -77.8677 -92.8672 -78.9841 -88.0534 -77.8672 -88.0553 -225.223 GPRESSURE: 4705400 -148.165 -96.3391 -146.476 -27.4739 -41.3205 -67.4768 -89.36 -81.0376 -180.59 PRESSAVG: 4705400 52.2787 -14.7677 -65.4024 -14.7676 -70.8571 -12.7837 -65.4024 -12.7837 5.70613 GPRESSAVG: 4705400 51.0656 -15.0276 -65.5504 -17.2238 -69.3503 -10.1678 -64.8745 -13.8436 5.54671 TIMING: 4705400 CPU: 13673.4, 0.00291941/step Wall: 13673.4, 0.00291941/step, 0.238905 hours remaining, 206.789062 MB of memory in use. ENERGY: 4705400 731.7296 2068.4100 1965.7724 120.5590 -205969.7554 17339.6176 0.0000 0.0000 34366.3138 -149377.3530 300.1296 -183743.6668 -149279.6745 299.5492 -157.9494 -123.3583 556584.8560 -4.2908 -4.2460 PRESSURE: 4705600 -12.0485 42.3693 237.768 42.37 -20.3656 119.12 237.768 119.118 -177.825 GPRESSURE: 4705600 -22.0726 136.549 140.913 28.9945 -9.73761 80.2762 233.651 145.699 -69.6586 PRESSAVG: 4705600 4.43017 -18.3131 23.3485 -18.313 21.9943 -2.27506 23.3484 -2.27501 -3.60837 GPRESSAVG: 4705600 4.74349 -15.9566 22.6468 -19.6573 21.9697 -4.03841 23.0175 0.846194 -3.75517 TIMING: 4705600 CPU: 13674, 0.0029136/step Wall: 13674, 0.0029136/step, 0.238268 hours remaining, 206.789062 MB of memory in use. ENERGY: 4705600 751.0797 2163.2559 1960.0431 114.3468 -206362.0132 17689.3863 0.0000 0.0000 34362.9239 -149320.9775 300.1000 -183683.9013 -149225.2486 299.2133 -70.0798 -33.8229 556443.6115 7.6054 7.6527 PRESSURE: 4705800 -113.699 -14.1883 70.9373 -14.1872 192.758 25.9483 70.9375 25.9475 -18.3283 GPRESSURE: 4705800 -129.727 2.28283 52.806 -20.7507 225.469 78.4714 -2.72009 -91.5756 64.8344 PRESSAVG: 4705800 -1.55204 0.473153 -3.04848 0.473208 62.6991 24.7825 -3.04838 24.7824 -37.7545 GPRESSAVG: 4705800 -1.04921 -1.40598 -1.94975 0.85055 61.1243 24.6338 -4.10921 23.9231 -37.0347 TIMING: 4705800 CPU: 13674.6, 0.0029144/step Wall: 13674.6, 0.0029144/step, 0.238171 hours remaining, 206.789062 MB of memory in use. ENERGY: 4705800 759.4463 2129.8959 1961.9640 133.2347 -206710.3839 17959.9972 0.0000 0.0000 34333.9164 -149431.9294 299.8466 -183765.8458 -149336.3607 299.7915 20.2437 53.5255 557013.3191 7.7975 7.6801 PRESSURE: 4706000 -212.59 117.794 -57.6132 117.793 -52.4907 138.559 -57.611 138.558 -289.53 GPRESSURE: 4706000 -188.045 49.2348 -75.4899 107.904 -63.2479 35.9712 -38.1792 130.163 -199.337 PRESSAVG: 4706000 -50.0537 -7.94289 13.1753 -7.94291 16.4844 -43.129 13.1753 -43.129 41.4795 GPRESSAVG: 4706000 -50.2254 -7.84383 11.8154 -6.26988 17.7648 -44.3254 14.6921 -42.3288 40.1109 TIMING: 4706000 CPU: 13675.2, 0.00293476/step Wall: 13675.2, 0.00293476/step, 0.239672 hours remaining, 206.789062 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: 4706000 760.2917 2123.5695 1970.6107 112.5935 -206174.3223 17676.4642 0.0000 0.0000 34270.6125 -149260.1802 299.2938 -183530.7927 -149165.0457 299.0593 -184.8705 -150.2103 556727.1412 2.6368 2.5501 PRESSURE: 4706200 222.868 -106.169 161.004 -106.169 160.9 7.8169 161.003 7.81733 213.924 GPRESSURE: 4706200 300.485 -150.941 185.673 -133.589 204.94 -92.8532 171.679 -31.723 190.465 PRESSAVG: 4706200 -6.83823 6.15144 -12.9147 6.15131 8.96088 57.8137 -12.9148 57.8137 6.29862 GPRESSAVG: 4706200 -6.88264 3.79416 -12.1128 7.15774 8.78215 58.7886 -13.1511 56.0203 6.33506 TIMING: 4706200 CPU: 13675.7, 0.00295255/step Wall: 13675.7, 0.00295255/step, 0.240961 hours remaining, 206.789062 MB of memory in use. ENERGY: 4706200 729.6907 2159.0574 1934.2040 120.7306 -206696.5959 18070.7600 0.0000 0.0000 34426.6108 -149255.5424 300.6562 -183682.1532 -149152.7699 299.5351 199.2309 231.9632 557478.8781 2.8071 2.7449 PRESSURE: 4706400 43.7097 -104.337 -23.5665 -104.338 -225.878 -26.3575 -23.5658 -26.3558 93.9933 GPRESSURE: 4706400 81.3777 -130.601 -76.6394 -9.22866 -224.629 -87.8529 -109.901 -7.23446 150.326 PRESSAVG: 4706400 0.678339 -28.3927 19.5369 -28.3929 8.35873 56.2896 19.5369 56.2897 -3.41783 GPRESSAVG: 4706400 1.81335 -25.9719 18.0818 -30.4381 8.20265 55.1277 20.0765 56.8183 -3.74458 TIMING: 4706400 CPU: 13676.3, 0.00296084/step Wall: 13676.3, 0.00296084/step, 0.241473 hours remaining, 206.789062 MB of memory in use. ENERGY: 4706400 733.0150 2087.2012 1937.1698 111.6192 -206225.9015 17645.2460 0.0000 0.0000 34377.8801 -149333.7703 300.2306 -183711.6503 -149234.3296 299.8193 -29.3916 2.3585 557250.6851 1.8731 2.0905 PRESSURE: 4706600 69.0283 57.7967 -34.5248 57.795 -79.7882 -22.8436 -34.5249 -22.845 11.9232 GPRESSURE: 4706600 144.33 52.2282 55.8719 19.8852 -46.8158 -13.0236 -60.408 -141.02 5.66027 PRESSAVG: 4706600 -29.2883 -54.0878 -24.9559 -54.0878 -1.01638 -65.1467 -24.9559 -65.1467 9.73599 GPRESSAVG: 4706600 -29.825 -53.7473 -25.6952 -52.287 -0.852318 -62.8304 -25.6869 -65.4164 10.2258 TIMING: 4706600 CPU: 13676.9, 0.00290265/step Wall: 13676.9, 0.00290265/step, 0.236566 hours remaining, 206.789062 MB of memory in use. ENERGY: 4706600 754.7201 2113.2818 1948.2433 106.3375 -206402.8603 17985.7498 0.0000 0.0000 34144.5774 -149349.9503 298.1931 -183494.5277 -149251.9327 298.6805 0.3878 34.3917 558114.9275 -6.8562 -6.8172 PRESSURE: 4706800 122.9 -60.7292 -36.2021 -60.7284 0.483639 -25.0252 -36.2024 -25.0251 -77.4561 GPRESSURE: 4706800 135.039 -50.8573 41.5597 -150.423 39.5917 -40.2469 -123.068 -69.6941 -31.4794 PRESSAVG: 4706800 11.606 33.1414 -7.59642 33.1415 30.223 14.6703 -7.59634 14.6703 -41.5857 GPRESSAVG: 4706800 11.2225 33.1022 -5.00397 33.455 29.9193 16.5071 -6.7499 12.7774 -41.1162 TIMING: 4706800 CPU: 13677.5, 0.00290857/step Wall: 13677.5, 0.00290858/step, 0.236887 hours remaining, 206.789062 MB of memory in use. ENERGY: 4706800 739.8057 2154.4681 1925.2332 122.2027 -206331.7714 17966.9155 0.0000 0.0000 34193.3826 -149229.7637 298.6193 -183423.1462 -149135.0823 299.0758 15.3091 47.7171 558250.5180 0.0811 0.0085 PRESSURE: 4707000 -27.8098 24.9145 -133.608 24.9143 3.09657 -16.4176 -133.609 -16.4163 146.892 GPRESSURE: 4707000 23.1681 -1.68204 -106.354 -2.68252 -10.801 30.3067 -197.855 -2.33507 197.107 PRESSAVG: 4707000 50.9063 -28.1598 -33.4448 -28.1599 -40.6879 -32.6064 -33.4448 -32.6063 22.5 GPRESSAVG: 4707000 50.9292 -28.446 -34.8103 -27.7028 -41.2123 -33.9988 -33.4845 -31.9855 22.1573 TIMING: 4707000 CPU: 13678.1, 0.00290589/step Wall: 13678.1, 0.00290589/step, 0.236507 hours remaining, 206.789062 MB of memory in use. ENERGY: 4707000 780.0550 2066.3220 1971.7442 104.1976 -206254.6515 18009.3969 0.0000 0.0000 34148.7759 -149174.1599 298.2298 -183322.9358 -149084.8936 298.9013 40.7264 69.8247 556841.0630 10.9061 10.6247 PRESSURE: 4707200 -120.423 -66.1236 16.5696 -66.123 8.55236 32.3313 16.5691 32.3308 -151.56 GPRESSURE: 4707200 -136.145 -39.769 134.95 -157.007 64.8806 69.9379 61.4727 52.9993 -86.2837 PRESSAVG: 4707200 60.8106 -5.86842 27.5295 -5.86828 -62.4511 62.7833 27.5296 62.7833 -6.81155 GPRESSAVG: 4707200 59.6533 -7.25898 29.3316 -8.55258 -61.0375 60.8688 27.5462 63.3207 -6.60578 TIMING: 4707200 CPU: 13678.7, 0.00291025/step Wall: 13678.7, 0.00291025/step, 0.2367 hours remaining, 206.789062 MB of memory in use. ENERGY: 4707200 783.7323 2094.4720 1966.2619 109.6811 -206083.0513 17552.7449 0.0000 0.0000 34249.4900 -149326.6691 299.1093 -183576.1591 -149229.2233 299.2669 -87.8101 -52.5161 555884.9807 -2.8173 -2.6633 PRESSURE: 4707400 -65.0066 -99.3377 28.2309 -99.3387 -303.782 -30.7141 28.2306 -30.714 -353.197 GPRESSURE: 4707400 -58.3386 -155.8 -61.1843 -95.3398 -285.339 33.784 85.0796 43.6387 -292.843 PRESSAVG: 4707400 6.26234 -39.9258 21.9024 -39.9258 -26.9355 34.2983 21.9025 34.2982 39.0481 GPRESSAVG: 4707400 5.70454 -38.8012 21.1788 -38.7596 -27.4315 37.4581 21.6268 33.4884 40.14 TIMING: 4707400 CPU: 13679.2, 0.00290785/step Wall: 13679.2, 0.00290785/step, 0.236343 hours remaining, 206.789062 MB of memory in use. ENERGY: 4707400 767.9819 2121.0088 1937.4249 122.8485 -205736.2704 17358.6248 0.0000 0.0000 34154.1124 -149274.2691 298.2764 -183428.3815 -149184.0275 299.6520 -240.6620 -212.1736 557268.9672 6.1250 6.1377 PRESSURE: 4707600 -196.584 -66.7869 24.0885 -66.7888 76.3402 -48.7085 24.0873 -48.7089 -84.015 GPRESSURE: 4707600 -146.648 32.6718 -64.6891 -112.976 96.3758 -9.47532 124.362 -33.3964 -59.8891 PRESSAVG: 4707600 -0.129699 52.2611 23.2963 52.2611 14.9627 -36.0323 23.2962 -36.0323 -30.6241 GPRESSAVG: 4707600 0.175606 53.7754 21.345 51.4183 14.7782 -36.7018 24.2644 -36.654 -30.4906 TIMING: 4707600 CPU: 13679.8, 0.00290675/step Wall: 13679.8, 0.00290675/step, 0.236093 hours remaining, 206.789062 MB of memory in use. ENERGY: 4707600 766.3997 2087.4489 1965.5897 110.9319 -205985.7597 17632.5921 0.0000 0.0000 34174.4017 -149248.3957 298.4535 -183422.7974 -149149.7589 298.9659 -68.0864 -36.7203 556434.6044 -5.2637 -5.1789 PRESSURE: 4707800 -185.256 54.5994 93.8463 54.5982 -31.9087 -31.3417 93.8467 -31.3429 -100.638 GPRESSURE: 4707800 -131.676 115.292 66.0952 100.451 -7.95231 22.5439 109.726 -32.7117 -69.7338 PRESSAVG: 4707800 2.56899 70.3678 2.68207 70.3679 -52.0113 -43.7696 2.6821 -43.7696 59.9096 GPRESSAVG: 4707800 4.47757 71.1761 2.35305 71.3381 -52.7081 -42.8278 2.9183 -43.3219 58.999 TIMING: 4707800 CPU: 13680.4, 0.0028977/step Wall: 13680.4, 0.0028977/step, 0.235197 hours remaining, 206.789062 MB of memory in use. ENERGY: 4707800 740.0028 2080.2005 1984.1321 123.1485 -205990.6796 17740.9702 0.0000 0.0000 34226.3552 -149095.8703 298.9073 -183322.2255 -148995.9663 299.6888 -105.9345 -69.7872 558905.2847 3.4891 3.5895 PRESSURE: 4708000 20.1152 47.1121 4.0986 47.1121 224.527 -10.9852 4.10018 -10.9856 -7.46911 GPRESSURE: 4708000 76.2923 63.3844 -65.9802 71.6897 237.603 -90.8195 56.1021 95.7132 19.0273 PRESSAVG: 4708000 17.5299 -2.42995 -27.3112 -2.4299 17.8164 -14.6523 -27.3112 -14.6523 -19.466 GPRESSAVG: 4708000 16.4943 -2.97443 -26.7377 -4.77672 18.7416 -15.5041 -26.9986 -15.4421 -19.4099 TIMING: 4708000 CPU: 13681, 0.00289625/step Wall: 13681, 0.00289625/step, 0.234918 hours remaining, 206.992188 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: 4708000 740.8403 2128.0976 1951.5971 127.7085 -205872.8786 17657.9037 0.0000 0.0000 34297.6862 -148969.0452 299.5302 -183266.7314 -148875.3451 299.3251 79.0578 110.9743 557103.2494 5.2934 5.2753 PRESSURE: 4708200 38.0983 -18.4294 -11.6444 -18.4288 90.3095 30.3721 -11.643 30.3711 -87.1429 GPRESSURE: 4708200 56.5669 -3.02168 2.08055 21.699 123.239 -1.53395 67.6981 96.0601 -49.867 PRESSAVG: 4708200 36.6859 4.61515 29.2141 4.61512 -0.51541 23.8866 29.2142 23.8866 -12.7763 GPRESSAVG: 4708200 36.8837 1.72257 28.988 9.11352 -0.987146 22.5525 29.6981 25.7538 -12.4356 TIMING: 4708200 CPU: 13681.6, 0.00291935/step Wall: 13681.6, 0.00291935/step, 0.23663 hours remaining, 206.992188 MB of memory in use. ENERGY: 4708200 748.0874 2081.9955 1948.4545 119.1711 -206211.7630 17839.4537 0.0000 0.0000 34415.2678 -149059.3330 300.5571 -183474.6007 -148964.8418 299.7165 13.7550 43.3130 557348.1538 7.7981 7.8203 LDB: ============= START OF LOAD BALANCING ============== 13685 LDB: ============== END OF LOAD BALANCING =============== 13685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685 LDB: ============= START OF LOAD BALANCING ============== 13685.3 LDB: Largest compute 4848 load 0.031923 is 27.1% of average load 0.117856 LDB: Average compute 0.001741 is 1.5% of average load 0.117856 LDB: TIME 13685.3 LOAD: AVG 0.117856 MAX 0.183488 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 13685.3 LOAD: AVG 0.117856 MAX 0.183488 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: TIME 13685.3 LOAD: AVG 0.117856 MAX 0.183488 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13685.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.3 PRESSURE: 4708400 -435.105 -3.53071 92.1448 -3.53087 -70.4924 41.3801 92.1455 41.3813 -164.792 GPRESSURE: 4708400 -371.002 -139.735 101.104 17.3522 -74.9001 72.607 153.015 -5.17753 -130.081 PRESSAVG: 4708400 -67.8443 -33.3386 -1.57936 -33.3385 116.968 -12.8625 -1.5794 -12.8625 -38.4258 GPRESSAVG: 4708400 -67.3327 -31.771 -1.57164 -35.7821 116.895 -10.4743 -4.221 -14.2815 -39.2536 TIMING: 4708400 CPU: 13682.2, 0.00296261/step Wall: 13682.2, 0.00296261/step, 0.239971 hours remaining, 208.125000 MB of memory in use. ENERGY: 4708400 752.7059 2034.2135 1952.1353 104.9233 -205405.2066 17465.4134 0.0000 0.0000 34051.8683 -149043.9470 297.3834 -183095.8153 -148946.1603 299.9933 -223.4632 -191.9944 559001.0050 3.5658 3.4361 PRESSURE: 4708600 -257.333 100.636 -26.7412 100.636 -294.289 -21.4449 -26.7419 -21.4434 -263.059 GPRESSURE: 4708600 -305.376 69.7172 15.5952 123.977 -273.632 -92.9526 -83.8281 -34.3749 -143.323 PRESSAVG: 4708600 -46.9811 -21.1809 -34.4076 -21.1809 45.8737 -21.8763 -34.4076 -21.8765 18.4533 GPRESSAVG: 4708600 -48.3605 -20.603 -35.1343 -21.4878 46.5881 -23.0038 -33.54 -22.3488 18.7681 TIMING: 4708600 CPU: 13682.7, 0.00290335/step Wall: 13682.7, 0.00290335/step, 0.23501 hours remaining, 208.328125 MB of memory in use. ENERGY: 4708600 747.8732 2048.0403 1976.4867 117.7225 -205582.8081 17395.0790 0.0000 0.0000 34383.0222 -148914.5841 300.2755 -183297.6063 -148818.6763 300.0191 -271.5601 -240.7772 558210.0329 5.7820 5.6652 PRESSURE: 4708800 -111.629 166.691 -181.737 166.691 -55.5076 -81.1982 -181.737 -81.1976 78.2501 GPRESSURE: 4708800 -80.2189 55.1954 -189.758 249.899 10.8791 -63.5038 -86.789 -82.531 67.3043 PRESSAVG: 4708800 3.73119 65.1472 -43.6467 65.1472 38.7589 -48.7091 -43.6468 -48.709 18.3262 GPRESSAVG: 4708800 3.93656 63.6306 -44.0209 66.592 39.3289 -47.7528 -41.7766 -46.7829 17.1905 TIMING: 4708800 CPU: 13683.3, 0.00293819/step Wall: 13683.3, 0.00293819/step, 0.237667 hours remaining, 208.328125 MB of memory in use. ENERGY: 4708800 722.2607 2077.1445 1967.5465 116.8880 -205768.9741 17641.1089 0.0000 0.0000 34303.2152 -148940.8103 299.5785 -183244.0255 -148843.8724 300.7435 -29.6288 -0.6785 556305.1020 20.2721 20.1520 PRESSURE: 4709000 5.34708 -10.3644 17.7344 -10.3651 156.145 -84.1393 17.7336 -84.1387 149.584 GPRESSURE: 4709000 56.1282 -12.627 -52.2783 -22.3382 181.59 -104.041 57.5074 -77.5767 161.263 PRESSAVG: 4709000 -20.7257 34.7692 1.16704 34.7693 24.7309 -70.8323 1.16694 -70.8321 36.4339 GPRESSAVG: 4709000 -21.2316 35.4607 1.45542 33.6086 23.2989 -71.545 -1.87578 -71.1689 38.2467 TIMING: 4709000 CPU: 13683.9, 0.0029253/step Wall: 13683.9, 0.0029253/step, 0.236462 hours remaining, 208.328125 MB of memory in use. ENERGY: 4709000 758.9015 2093.8104 1967.2668 112.3971 -206190.0955 17938.4967 0.0000 0.0000 34477.1685 -148842.0544 301.0977 -183319.2229 -148746.2718 300.3657 103.6919 132.9936 557592.2255 13.4797 13.4380 PRESSURE: 4709200 210.903 -47.6899 -49.0688 -47.6909 13.7644 -106.661 -49.0685 -106.66 -74.8842 GPRESSURE: 4709200 259.391 -79.5007 -81.3478 -53.72 18.97 -121.003 -13.1066 -97.4919 -32.1574 PRESSAVG: 4709200 28.2432 24.7073 5.66756 24.7074 -36.5496 -16.5701 5.66759 -16.57 25.7318 GPRESSAVG: 4709200 29.6448 24.3298 5.105 25.9646 -36.6995 -14.8042 7.01577 -17.3928 25.0035 TIMING: 4709200 CPU: 13684.5, 0.00293136/step Wall: 13684.5, 0.00293136/step, 0.236789 hours remaining, 208.328125 MB of memory in use. ENERGY: 4709200 753.5286 2065.3176 1967.4245 107.0624 -206019.6533 17931.0980 0.0000 0.0000 34367.8727 -148827.3496 300.1432 -183195.2223 -148730.8840 300.5537 49.9279 82.0678 559582.0481 5.8085 5.9829 PRESSURE: 4709400 68.3954 -48.9157 91.4585 -48.9159 -148.481 316.025 91.4579 316.027 -64.8436 GPRESSURE: 4709400 52.6181 -84.5275 96.6585 -44.0802 -74.0241 355.626 71.3349 227.395 -29.5108 PRESSAVG: 4709400 9.94571 9.50669 16.3064 9.5067 -12.7453 13.886 16.3064 13.886 29.0129 GPRESSAVG: 4709400 9.93345 9.61865 18.4464 10.0588 -10.9795 11.4991 15.7989 13.4533 26.9858 TIMING: 4709400 CPU: 13685.1, 0.00293399/step Wall: 13685.1, 0.00293399/step, 0.236838 hours remaining, 208.328125 MB of memory in use. ENERGY: 4709400 739.8760 2097.4689 1970.0197 100.6796 -205647.9853 17728.6171 0.0000 0.0000 34131.9624 -148879.3617 298.0829 -183011.3240 -148791.3794 299.7539 -48.3098 -16.9723 558476.6507 8.7378 8.6466 PRESSURE: 4709600 4.77568 42.6253 -134.829 42.6261 27.6945 -45.1792 -134.829 -45.1798 -71.5762 GPRESSURE: 4709600 96.8121 39.6199 -89.6126 73.8663 21.5694 -100.058 -175.93 -2.84242 -51.1466 PRESSAVG: 4709600 -22.6706 69.1389 19.406 69.1389 9.64759 32.3755 19.406 32.3755 24.5933 GPRESSAVG: 4709600 -22.4306 67.4658 22.009 69.0179 9.17165 31.8873 18.3968 34.0919 25.1453 TIMING: 4709600 CPU: 13685.7, 0.00295496/step Wall: 13685.7, 0.00295496/step, 0.238367 hours remaining, 208.457031 MB of memory in use. ENERGY: 4709600 745.4958 2054.1315 1936.0537 111.8854 -206026.6147 17861.6582 0.0000 0.0000 34330.5893 -148986.8009 299.8176 -183317.3902 -148890.1507 299.8915 -13.0354 22.4116 558258.0326 3.8568 3.9621 PRESSURE: 4709800 67.6767 -10.6675 51.0732 -10.6685 -91.5702 -58.8631 51.0741 -58.8632 -57.9701 GPRESSURE: 4709800 96.3095 55.034 65.3751 -37.1198 -58.4241 12.4781 64.0041 -132.01 -21.0798 PRESSAVG: 4709800 -26.4083 30.0741 26.4001 30.074 -17.3864 33.4832 26.4001 33.4831 13.1723 GPRESSAVG: 4709800 -27.4201 30.648 24.2825 29.3421 -17.8928 35.9213 26.7306 31.4324 14.1529 TIMING: 4709800 CPU: 13686.3, 0.00293833/step Wall: 13686.3, 0.00293833/step, 0.236862 hours remaining, 208.457031 MB of memory in use. ENERGY: 4709800 726.1222 2081.6440 1943.8287 113.5565 -206518.6723 18001.1383 0.0000 0.0000 34528.6067 -149123.7759 301.5469 -183652.3826 -149026.0508 299.8796 -27.2878 5.6018 558363.3173 -10.2074 -10.3867 PRESSURE: 4710000 31.4515 -144.406 -192.828 -144.407 51.2595 149.31 -192.828 149.309 6.99066 GPRESSURE: 4710000 62.0164 -86.774 -245.181 -187.908 50.9956 168.454 -95.1547 207.136 71.3849 PRESSAVG: 4710000 -3.91516 4.35434 2.72915 4.35447 56.5264 28.871 2.72917 28.871 -63.2984 GPRESSAVG: 4710000 -2.93766 5.77909 1.87267 2.92654 55.4441 26.2218 2.37954 31.2334 -63.1686 TIMING: 4710000 CPU: 13686.9, 0.00290931/step Wall: 13686.9, 0.00290931/step, 0.234361 hours remaining, 208.457031 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: 4710000 731.0773 2046.1168 1978.2398 107.9937 -206363.2387 17950.0386 0.0000 0.0000 34288.7646 -149261.0079 299.4523 -183549.7725 -149166.7766 299.4210 29.9005 61.4656 557137.2166 -3.5624 -3.5540 PRESSURE: 4710200 -260.697 -197.583 6.69357 -197.583 127.235 -19.0061 6.6944 -19.0082 -98.379 GPRESSURE: 4710200 -259.821 -165.616 -78.904 -204.711 152.993 61.7184 38.7721 -61.5908 -41.0415 PRESSAVG: 4710200 -1.29872 -43.4058 -19.5061 -43.4059 61.2707 37.3745 -19.5061 37.3745 -92.4577 GPRESSAVG: 4710200 -1.37248 -44.6408 -19.7251 -40.5352 61.9125 36.9512 -18.7513 37.2729 -92.8217 TIMING: 4710200 CPU: 13687.4, 0.00291116/step Wall: 13687.4, 0.00291116/step, 0.234348 hours remaining, 208.457031 MB of memory in use. ENERGY: 4710200 773.8216 2087.2690 1943.3697 104.0421 -205822.5963 17699.8372 0.0000 0.0000 34057.1166 -149157.1401 297.4293 -183214.2567 -149058.5574 298.6809 -77.2801 -49.2899 558499.1202 -10.8286 -10.7606 PRESSURE: 4710400 10.1745 166.963 -17.2245 166.963 14.9164 89.7046 -17.224 89.7059 -152.983 GPRESSURE: 4710400 23.1842 132.164 -11.2109 165.843 38.4829 57.4557 -10.9771 39.4693 -81.7263 PRESSAVG: 4710400 -14.8561 16.9816 -87.6424 16.9817 55.4347 25.1631 -87.6426 25.163 -19.5623 GPRESSAVG: 4710400 -15.1153 19.3505 -86.3459 14.308 56.2767 26.1877 -89.0069 23.2717 -20.0286 TIMING: 4710400 CPU: 13688, 0.00290183/step Wall: 13688, 0.00290183/step, 0.233436 hours remaining, 208.457031 MB of memory in use. ENERGY: 4710400 796.9376 2075.2041 1968.3193 111.6704 -206369.6639 17963.7297 0.0000 0.0000 34261.0245 -149192.7783 299.2100 -183453.8027 -149096.5701 299.0470 -42.6306 -6.6864 557900.2171 7.0054 7.0443 PRESSURE: 4710600 -149.849 88.1045 139.923 88.1044 -238.419 -91.6056 139.922 -91.6053 -233.747 GPRESSURE: 4710600 -180.522 105.013 60.0036 75.8466 -166.497 -72.1078 174.442 -108.367 -179.413 PRESSAVG: 4710600 -24.2357 56.4412 -54.8534 56.4411 20.8357 -18.4423 -54.8534 -18.4424 -0.226594 GPRESSAVG: 4710600 -24.8142 55.4026 -54.5178 56.7941 20.7284 -18.3892 -55.7936 -18.6049 0.0285772 TIMING: 4710600 CPU: 13688.6, 0.00288438/step Wall: 13688.6, 0.00288438/step, 0.231872 hours remaining, 208.457031 MB of memory in use. ENERGY: 4710600 774.1692 2019.7820 1948.8703 113.8159 -205887.5978 17548.7648 0.0000 0.0000 34395.4031 -149086.7925 300.3836 -183482.1956 -148985.7578 299.5522 -207.3384 -175.4771 557923.6480 -1.2089 -1.3524 PRESSURE: 4710800 -2.47786 -82.8662 -265.611 -82.8651 75.0563 64.4712 -265.611 64.4689 -121.971 GPRESSURE: 4710800 59.2965 -76.1569 -169.801 -77.7453 95.1998 65.5515 -273.065 66.334 -95.258 PRESSAVG: 4710800 11.5799 38.9285 -1.68237 38.9285 31.7512 -4.29811 -1.68242 -4.2982 24.0358 GPRESSAVG: 4710800 13.1087 38.9247 -3.29973 39.3813 30.542 -3.75714 -0.262119 -4.82747 24.0153 TIMING: 4710800 CPU: 13689.2, 0.00289389/step Wall: 13689.2, 0.00289389/step, 0.232476 hours remaining, 208.457031 MB of memory in use. ENERGY: 4710800 769.9200 2079.5358 1938.5223 126.3062 -206268.6380 17873.9639 0.0000 0.0000 34338.0242 -149142.3656 299.8825 -183480.3898 -149046.1617 300.1809 -16.4641 19.7461 555706.3698 22.4556 22.5553 PRESSURE: 4711000 -25.7431 77.2032 -51.8406 77.2038 -361.494 0.441722 -51.8407 0.442667 -169.228 GPRESSURE: 4711000 36.5286 112.813 21.539 -7.87824 -374.021 -27.8831 -57.8646 27.7097 -109.846 PRESSAVG: 4711000 30.3964 18.4857 -9.63628 18.4857 -25.5288 26.4558 -9.63623 26.4559 16.6753 GPRESSAVG: 4711000 30.0024 17.5978 -10.637 18.2376 -24.2279 26.1334 -9.72045 28.0748 15.7102 TIMING: 4711000 CPU: 13689.8, 0.00289732/step Wall: 13689.8, 0.00289732/step, 0.232591 hours remaining, 208.457031 MB of memory in use. ENERGY: 4711000 745.7723 2155.3037 1950.0964 119.2084 -205887.6843 17525.7544 0.0000 0.0000 34182.8088 -149208.7405 298.5270 -183391.5492 -149114.5201 300.1667 -185.4882 -149.1127 557025.4194 7.1809 7.1616 PRESSURE: 4711200 284.679 135.801 134.76 135.8 87.9855 123.661 134.76 123.659 6.43384 GPRESSURE: 4711200 321.357 152.211 167.297 93.1126 110.491 24.8477 56.3547 184.741 45.9846 PRESSAVG: 4711200 9.2112 15.6462 2.36754 15.6462 -10.8464 5.88228 2.36763 5.88237 -11.1249 GPRESSAVG: 4711200 8.98695 17.7716 3.07986 13.5874 -12.0538 6.74999 4.22311 4.5285 -10.2821 TIMING: 4711200 CPU: 13690.3, 0.00288643/step Wall: 13690.3, 0.00288643/step, 0.231556 hours remaining, 208.457031 MB of memory in use. ENERGY: 4711200 759.0617 2088.1504 1925.0281 118.6275 -206434.5703 18006.9676 0.0000 0.0000 34356.3084 -149180.4266 300.0422 -183536.7350 -149079.4470 299.2018 126.3662 159.2776 555759.4750 -4.2534 -4.4496 PRESSURE: 4711400 -110.185 85.0818 50.2671 85.0809 -175.671 -93.6106 50.2673 -93.6115 -145.148 GPRESSURE: 4711400 -75.4818 0.713753 5.5065 132.728 -127.773 -128.059 -15.2048 -121.633 -125.405 PRESSAVG: 4711400 77.2958 37.7674 12.8777 37.7676 -25.6465 -54.5363 12.8777 -54.5362 -27.2797 GPRESSAVG: 4711400 77.675 37.9026 13.8726 38.6305 -25.3839 -54.7049 10.2151 -52.9785 -28.4888 TIMING: 4711400 CPU: 13690.9, 0.00291808/step Wall: 13690.9, 0.00291808/step, 0.233933 hours remaining, 208.457031 MB of memory in use. ENERGY: 4711400 719.5254 2036.2664 1979.8618 110.3341 -205693.4277 17619.2365 0.0000 0.0000 34062.5124 -149165.6911 297.4764 -183228.2035 -149065.8536 299.4138 -143.6679 -109.5532 559449.8164 8.1232 7.9341 PRESSURE: 4711600 -62.2212 62.8134 4.17729 62.8127 -123.721 80.3242 4.17677 80.3251 -362.292 GPRESSURE: 4711600 -31.1211 102.651 -20.918 69.296 -90.6987 45.0827 34.9283 145.204 -331.126 PRESSAVG: 4711600 32.7317 -10.3516 -12.0195 -10.3515 -70.1189 -23.5032 -12.0196 -23.5032 9.76132 GPRESSAVG: 4711600 31.998 -12.0001 -12.3775 -9.11436 -70.2523 -23.6795 -12.1224 -24.9049 10.0748 TIMING: 4711600 CPU: 13691.5, 0.00288728/step Wall: 13691.5, 0.00288728/step, 0.231303 hours remaining, 208.457031 MB of memory in use. ENERGY: 4711600 718.9225 2127.1591 1967.0602 103.2626 -206112.7234 17693.3590 0.0000 0.0000 34229.4539 -149273.5061 298.9343 -183502.9600 -149177.3568 299.2121 -182.7446 -150.9821 559208.2908 -9.2086 -9.3932 PRESSURE: 4711800 -365.176 39.1478 109.034 39.1469 -7.79186 -8.75971 109.034 -8.75914 -144.45 GPRESSURE: 4711800 -348.853 36.8447 112.295 21.0526 -32.6266 -58.9767 63.5585 18.3356 -40.7756 PRESSAVG: 4711800 -20.2246 3.82045 47.2557 3.82059 28.7477 14.4963 47.2557 14.4962 -15.444 GPRESSAVG: 4711800 -19.7905 4.80376 47.892 3.96988 28.9008 14.3582 48.1289 15.6893 -16.3421 TIMING: 4711800 CPU: 13692.1, 0.00288624/step Wall: 13692.1, 0.00288624/step, 0.231059 hours remaining, 208.457031 MB of memory in use. ENERGY: 4711800 754.3459 2103.6248 1929.1364 107.9505 -206244.0370 17629.3869 0.0000 0.0000 34328.2136 -149391.3788 299.7968 -183719.5924 -149296.6511 299.1894 -172.4726 -140.7517 557467.3753 -2.3070 -2.4106 PRESSURE: 4712000 -207.222 3.51234 -206.279 3.51313 49.005 36.8043 -206.279 36.8058 -17.7117 GPRESSURE: 4712000 -159.025 -16.5364 -167.644 10.5815 62.9655 42.4107 -95.9822 14.9878 16.4483 PRESSAVG: 4712000 44.0482 66.9056 27.7587 66.9057 -3.35027 13.0156 27.7588 13.0156 10.6995 GPRESSAVG: 4712000 42.861 65.2026 27.3628 68.6182 -2.25969 13.5704 29.3836 11.2729 10.3282 TIMING: 4712000 CPU: 13692.6, 0.00289714/step Wall: 13692.6, 0.00289714/step, 0.231772 hours remaining, 208.457031 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: 4712000 726.3178 2086.0005 1942.0548 108.0060 -205937.7826 17671.5766 0.0000 0.0000 34071.5265 -149332.3004 297.5551 -183403.8269 -149238.7771 298.9309 -58.6428 -26.5369 558480.9614 17.1325 16.9765 PRESSURE: 4712200 330.042 56.8817 -64.7671 56.8817 167.211 -118.582 -64.7666 -118.582 60.6246 GPRESSURE: 4712200 369.622 89.2821 -91.9694 97.1587 181.459 -77.3224 -13.6147 -49.8381 96.2616 PRESSAVG: 4712200 -3.10874 -22.2807 -6.43998 -22.2807 13.1387 -55.2108 -6.43993 -55.2109 4.83987 GPRESSAVG: 4712200 -2.84317 -21.0023 -8.6823 -21.7888 11.8469 -56.6942 -5.44062 -54.2414 5.74258 TIMING: 4712200 CPU: 13693.2, 0.00290874/step Wall: 13693.2, 0.00290874/step, 0.232537 hours remaining, 208.457031 MB of memory in use. ENERGY: 4712200 729.8808 2062.5200 1958.6058 112.9693 -206427.1769 17995.5136 0.0000 0.0000 34197.0113 -149370.6761 298.6510 -183567.6874 -149270.8611 299.1758 185.9592 215.7809 557513.9094 4.9566 4.9154 LDB: ============= START OF LOAD BALANCING ============== 13696.7 LDB: ============== END OF LOAD BALANCING =============== 13696.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13696.7 LDB: ============= START OF LOAD BALANCING ============== 13697 LDB: Largest compute 4848 load 0.032020 is 27.2% of average load 0.117781 LDB: Average compute 0.001743 is 1.5% of average load 0.117781 LDB: TIME 13697 LOAD: AVG 0.117781 MAX 0.182816 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.855 MB LDB: TIME 13697 LOAD: AVG 0.117781 MAX 0.182816 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: TIME 13697 LOAD: AVG 0.117781 MAX 0.182816 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13697 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13697 PRESSURE: 4712400 -36.7585 58.3603 -180.391 58.3613 -305.167 -19.2527 -180.392 -19.2538 -331.821 GPRESSURE: 4712400 -54.2851 91.7582 -215.569 68.9756 -235.247 -72.5466 -121.916 -7.37228 -292.239 PRESSAVG: 4712400 8.30528 -4.9209 -33.5044 -4.92083 -31.5929 -18.0899 -33.5044 -18.09 23.7076 GPRESSAVG: 4712400 7.96565 -6.95203 -32.7475 -6.95277 -31.1318 -17.7584 -36.6001 -16.7446 23.798 TIMING: 4712400 CPU: 13693.8, 0.00295211/step Wall: 13693.8, 0.00295211/step, 0.235841 hours remaining, 208.125000 MB of memory in use. ENERGY: 4712400 768.7155 2027.2314 1970.8580 112.4106 -205958.6572 17505.3957 0.0000 0.0000 34112.3946 -149461.6514 297.9120 -183574.0460 -149364.9667 298.9818 -224.5822 -193.9238 558320.5009 0.1400 0.2106 PRESSURE: 4712600 -169.889 6.12113 41.1785 6.12175 -14.9582 17.4047 41.1794 17.4047 50.6743 GPRESSURE: 4712600 -162.457 115.762 3.29606 -22.659 60.4279 96.496 56.9162 24.1682 49.3169 PRESSAVG: 4712600 5.50939 41.757 -13.4893 41.757 -14.7129 -18.3877 -13.4892 -18.3877 2.41211 GPRESSAVG: 4712600 5.83406 44.8701 -13.0703 40.4435 -14.5279 -17.3127 -12.1568 -18.6331 2.3184 TIMING: 4712600 CPU: 13694.4, 0.00290108/step Wall: 13694.4, 0.00290108/step, 0.231603 hours remaining, 208.632812 MB of memory in use. ENERGY: 4712600 734.2875 2077.2978 1945.9287 107.3570 -205926.1724 17784.1503 0.0000 0.0000 33989.9043 -149287.2470 296.8423 -183277.1512 -149195.5616 298.3563 -44.7242 -17.5708 559336.0531 -2.2638 -2.1252 PRESSURE: 4712800 -258.952 75.7644 -80.5427 75.7632 214.875 21.1817 -80.5419 21.1826 -30.5764 GPRESSURE: 4712800 -213.065 -23.3242 -77.1921 125.931 200.44 51.4047 -75.2845 -73.3595 45.3778 PRESSAVG: 4712800 15.0519 10.6121 -52.179 10.6121 23.4908 44.3283 -52.1789 44.3284 -18.5429 GPRESSAVG: 4712800 15.2948 10.1239 -50.7831 11.4346 23.1992 44.5769 -54.4694 43.8205 -18.4045 TIMING: 4712800 CPU: 13695, 0.00289468/step Wall: 13695, 0.00289468/step, 0.230931 hours remaining, 208.632812 MB of memory in use. ENERGY: 4712800 760.9759 2089.4226 1947.2256 113.4268 -206085.0187 17922.0021 0.0000 0.0000 34083.6062 -149168.3594 297.6606 -183251.9656 -149080.5732 299.2563 -24.8844 10.9176 560127.0674 6.6666 6.6965 PRESSURE: 4713000 -94.5277 89.9518 15.3582 89.9519 -32.1748 90.3552 15.3575 90.3543 -201.282 GPRESSURE: 4713000 -24.9268 62.6687 -104.194 117.252 -32.3709 35.6708 2.29232 107.613 -182.121 PRESSAVG: 4713000 -15.9971 3.72201 -19.4671 3.72201 -41.5035 -3.17887 -19.4671 -3.17879 19.5073 GPRESSAVG: 4713000 -15.6082 1.47211 -21.789 4.18751 -41.462 -3.80474 -17.0583 -3.65239 19.2837 TIMING: 4713000 CPU: 13695.6, 0.00290373/step Wall: 13695.6, 0.00290373/step, 0.231491 hours remaining, 208.632812 MB of memory in use. ENERGY: 4713000 755.1884 2116.9489 1967.8727 105.8131 -205868.5699 17793.0445 0.0000 0.0000 33918.5968 -149211.1056 296.2195 -183129.7024 -149117.0095 298.3067 -109.3282 -79.8062 559865.5619 -12.6644 -12.5955 PRESSURE: 4713200 33.2395 42.3802 7.97145 42.3816 -122.973 111.57 7.96924 111.569 -257.28 GPRESSURE: 4713200 57.5074 50.0527 -52.9189 1.83934 -97.6679 94.8574 36.7345 68.0816 -215.679 PRESSAVG: 4713200 -2.77655 41.7372 -15.2239 41.7372 -11.3193 86.1884 -15.2239 86.1883 -2.90319 GPRESSAVG: 4713200 -3.26791 42.5164 -15.3377 43.4394 -10.9179 86.8989 -14.341 86.9305 -3.04736 TIMING: 4713200 CPU: 13696.1, 0.00288558/step Wall: 13696.1, 0.00288558/step, 0.229884 hours remaining, 208.632812 MB of memory in use. ENERGY: 4713200 780.2168 2115.1948 1953.5419 102.5732 -206136.3123 17725.3929 0.0000 0.0000 34306.5206 -149152.8722 299.6074 -183459.3928 -149054.7958 299.3217 -115.6712 -85.2797 559691.6724 -5.6663 -5.7444 PRESSURE: 4713400 139.855 256.578 57.6663 256.578 126.098 -21.0099 57.6675 -21.0123 33.0872 GPRESSURE: 4713400 192.423 215.837 107.767 216.475 163.003 -55.2943 15.4885 19.799 49.3893 PRESSAVG: 4713400 -19.9664 -6.82501 5.63362 -6.82501 -13.3227 54.187 5.63367 54.187 63.1295 GPRESSAVG: 4713400 -18.556 -5.90473 6.18367 -10.1604 -14.7344 53.6017 5.70136 54.8601 63.2262 TIMING: 4713400 CPU: 13696.7, 0.00289764/step Wall: 13696.7, 0.00289764/step, 0.230684 hours remaining, 208.632812 MB of memory in use. ENERGY: 4713400 737.8796 2063.2395 1965.9717 105.2402 -206438.5749 17933.0131 0.0000 0.0000 34286.4160 -149346.8148 299.4318 -183633.2308 -149246.9132 299.4071 99.6802 134.9385 557159.7232 9.9468 9.9786 PRESSURE: 4713600 177.727 -30.2808 122.024 -30.2795 234.611 -10.8507 122.024 -10.8517 31.5866 GPRESSURE: 4713600 217.866 -64.9998 220.013 7.31489 241.353 -22.0956 94.3294 -19.9265 97.0358 PRESSAVG: 4713600 -24.6078 -31.5065 26.3522 -31.5065 -14.9076 -27.6585 26.3522 -27.6586 42.9052 GPRESSAVG: 4713600 -26.0054 -32.1377 26.0087 -29.0955 -13.5546 -28.2473 25.9821 -27.1854 42.9301 TIMING: 4713600 CPU: 13697.3, 0.00292471/step Wall: 13697.3, 0.00292471/step, 0.232677 hours remaining, 208.632812 MB of memory in use. ENERGY: 4713600 737.7165 2079.7122 1983.5416 121.4652 -206555.3734 18195.2102 0.0000 0.0000 34523.2488 -148914.4791 301.5001 -183437.7278 -148821.6761 299.6275 147.9747 185.4182 558605.8096 1.1299 1.1234 PRESSURE: 4713800 -196.977 -54.6793 5.1534 -54.6795 -197.421 -61.8595 5.15457 -61.8591 -348.012 GPRESSURE: 4713800 -166.238 -114.276 56.3302 -86.7642 -216.733 -52.8375 -5.63567 -98.3382 -262.943 PRESSAVG: 4713800 -9.52183 22.2957 26.7135 22.2957 68.901 -13.3718 26.7135 -13.3717 -34.853 GPRESSAVG: 4713800 -9.26267 22.8478 27.2679 20.4356 68.5087 -11.339 26.1387 -15.4044 -35.605 TIMING: 4713800 CPU: 13697.9, 0.00291016/step Wall: 13697.9, 0.00291016/step, 0.231358 hours remaining, 208.632812 MB of memory in use. ENERGY: 4713800 787.8933 2085.0405 1948.6694 126.1802 -205998.3858 17531.1202 0.0000 0.0000 34372.6999 -149146.7824 300.1853 -183519.4823 -149047.7123 299.9787 -247.4700 -215.3046 558968.6012 8.1754 7.8803 PRESSURE: 4714000 -97.6202 -146.612 111.924 -146.613 114.605 138.865 111.926 138.865 23.4772 GPRESSURE: 4714000 -94.3869 -103.083 103.266 -102.435 157.902 159.402 99.9701 18.2825 73.2373 PRESSAVG: 4714000 -35.0109 27.128 48.1104 27.128 14.9607 20.6372 48.1104 20.6372 20.7251 GPRESSAVG: 4714000 -35.0504 25.0017 49.0027 28.2332 13.9629 20.1364 48.6715 19.5782 21.8061 TIMING: 4714000 CPU: 13698.5, 0.0029137/step Wall: 13698.5, 0.0029137/step, 0.231477 hours remaining, 208.632812 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: 4714000 736.6135 2093.2454 1960.2720 118.1698 -206355.6395 17921.9083 0.0000 0.0000 34295.1009 -149230.3296 299.5076 -183525.4305 -149136.3678 299.1846 13.4874 45.5841 558029.5880 0.2250 0.2395 PRESSURE: 4714200 -173.663 36.0946 120.397 36.0938 -24.596 197.735 120.398 197.734 -145.266 GPRESSURE: 4714200 -130.687 92.9324 125.591 -45.6378 -51.1009 178.281 120.183 112.468 -60.3894 PRESSAVG: 4714200 -31.9017 -41.0011 -15.2898 -41.0012 33.005 5.9048 -15.2897 5.90484 0.874499 GPRESSAVG: 4714200 -33.4302 -39.2074 -13.9862 -40.677 34.6079 4.67097 -17.1501 7.73928 1.06869 TIMING: 4714200 CPU: 13699, 0.00290666/step Wall: 13699, 0.00290666/step, 0.230756 hours remaining, 208.632812 MB of memory in use. ENERGY: 4714200 765.9413 2086.5656 1907.0414 113.0644 -206268.6746 17820.5501 0.0000 0.0000 34362.5566 -149212.9551 300.0968 -183575.5117 -149112.1497 299.0190 -114.5084 -80.7257 558656.1920 0.6593 0.7488 PRESSURE: 4714400 119.815 -62.8097 -55.3949 -62.8102 76.1174 263.104 -55.3952 263.105 -19.5719 GPRESSURE: 4714400 173.653 -23.0224 19.1075 -101.562 66.3137 215.054 -9.41192 286.437 38.6291 PRESSAVG: 4714400 -58.5954 -76.7598 -30.3237 -76.7598 85.3437 35.0892 -30.3236 35.0893 35.9779 GPRESSAVG: 4714400 -57.0492 -76.0997 -30.0079 -75.1568 83.8607 33.7091 -29.2851 33.4836 35.8938 TIMING: 4714400 CPU: 13699.6, 0.00292193/step Wall: 13699.6, 0.00292193/step, 0.231806 hours remaining, 208.632812 MB of memory in use. ENERGY: 4714400 773.1446 2069.0239 1965.1260 113.3208 -206566.9109 18068.2375 0.0000 0.0000 34382.4249 -149195.6332 300.2703 -183578.0582 -149097.2874 299.1190 58.7868 92.8651 557621.3144 20.9087 20.9018 PRESSURE: 4714600 -89.6513 71.005 -187.172 71.0043 78.8889 30.2361 -187.172 30.2354 -90.4279 GPRESSURE: 4714600 -67.5819 133.28 -138.162 -18.6848 145.45 4.60399 -231.445 21.0283 -97.6511 PRESSAVG: 4714600 -11.8331 -6.26518 -30.4884 -6.26512 -71.1456 29.5977 -30.4884 29.5976 64.4282 GPRESSAVG: 4714600 -12.4783 -6.05783 -33.1608 -7.65577 -70.9864 31.441 -29.6903 29.2539 64.4528 TIMING: 4714600 CPU: 13700.2, 0.00291504/step Wall: 13700.2, 0.00291504/step, 0.231098 hours remaining, 208.632812 MB of memory in use. ENERGY: 4714600 754.2980 2054.3040 1918.6441 111.8788 -206235.5561 17910.0568 0.0000 0.0000 34286.7827 -149199.5916 299.4350 -183486.3743 -149100.7051 299.5023 -33.7301 -6.5945 558658.2024 -6.1835 -6.3373 PRESSURE: 4714800 -36.5125 44.6226 -155.507 44.6234 97.8695 -95.4152 -155.507 -95.4166 4.25733 GPRESSURE: 4714800 -5.6654 38.0572 -155.63 -28.6921 97.9641 -81.7109 -184.211 -84.508 70.2049 PRESSAVG: 4714800 7.85217 3.42035 -5.01798 3.42036 57.1618 -35.1861 -5.01804 -35.1862 -38.9146 GPRESSAVG: 4714800 6.37438 1.9306 -3.64351 3.2136 58.1021 -35.562 -6.91825 -35.1365 -38.5598 TIMING: 4714800 CPU: 13700.8, 0.002901/step Wall: 13700.8, 0.002901/step, 0.229824 hours remaining, 208.632812 MB of memory in use. ENERGY: 4714800 720.2017 2053.9490 1955.4176 109.9353 -205881.6330 17721.4148 0.0000 0.0000 34153.4784 -149167.2362 298.2708 -183320.7146 -149079.4791 298.8378 21.8714 54.1679 557340.5625 8.6998 8.6389 PRESSURE: 4715000 78.378 -4.29531 101.69 -4.29595 194.02 64.1624 101.69 64.1613 -58.08 GPRESSURE: 4715000 78.853 -6.17502 70.0058 -24.6615 232.346 35.7526 52.1339 76.0014 10.3296 PRESSAVG: 4715000 -30.7694 18.4083 1.61171 18.4082 51.6538 -48.2985 1.61166 -48.2986 -44.8895 GPRESSAVG: 4715000 -29.3457 18.2465 2.01979 19.9789 50.4131 -47.5542 3.61261 -45.7103 -45.0873 TIMING: 4715000 CPU: 13701.4, 0.00291618/step Wall: 13701.4, 0.00291618/step, 0.230864 hours remaining, 208.632812 MB of memory in use. ENERGY: 4715000 730.9198 2068.3731 1949.6582 123.0939 -206110.2335 17732.5324 0.0000 0.0000 34358.4716 -149147.1846 300.0611 -183505.6562 -149051.4595 298.8752 71.4395 107.1761 555928.3253 -8.0017 -8.0067 PRESSURE: 4715200 -273.764 -37.537 19.2878 -37.5373 92.1571 149.574 19.2875 149.571 -26.4218 GPRESSURE: 4715200 -297.327 76.8536 59.2804 -63.9616 155.463 109.499 9.17665 120.64 35.616 PRESSAVG: 4715200 -23.2876 11.8441 41.3812 11.844 90.9132 -46.2697 41.3812 -46.2697 -56.5077 GPRESSAVG: 4715200 -23.3332 12.2547 40.5925 9.91313 91.2169 -46.569 40.9405 -48.1521 -56.8406 TIMING: 4715200 CPU: 13702, 0.00292166/step Wall: 13702, 0.00292166/step, 0.231136 hours remaining, 208.632812 MB of memory in use. ENERGY: 4715200 738.5061 2064.7163 1955.3016 115.0075 -205978.5200 17679.2365 0.0000 0.0000 34390.0886 -149035.6633 300.3372 -183425.7519 -148937.3615 299.4600 -69.3430 -35.4159 558554.7229 3.7060 3.6810 PRESSURE: 4715400 28.738 29.4888 69.0926 29.4874 -220.176 23.1523 69.093 23.1535 225.248 GPRESSURE: 4715400 36.7406 11.3106 88.4291 0.564216 -138.67 0.182278 10.677 46.494 225.107 PRESSAVG: 4715400 -64.2662 -20.3742 -5.85243 -20.3742 39.6617 8.04328 -5.85243 8.04319 43.1365 GPRESSAVG: 4715400 -65.0207 -22.2749 -6.38597 -17.3051 39.0552 7.7486 -4.86392 7.77086 44.3415 TIMING: 4715400 CPU: 13702.5, 0.00291427/step Wall: 13702.5, 0.00291427/step, 0.230389 hours remaining, 208.632812 MB of memory in use. ENERGY: 4715400 721.4984 2050.1342 1950.3656 103.3897 -206394.4495 17924.2920 0.0000 0.0000 34487.1819 -149157.5877 301.1851 -183644.7697 -149062.4599 299.2746 11.2699 41.0594 558825.6395 6.1773 6.1253 PRESSURE: 4715600 -173.328 167.883 -131.39 167.884 -185.388 -64.6586 -131.39 -64.6578 -217.923 GPRESSURE: 4715600 -67.7285 175.801 -199.191 167.68 -174.155 -162.129 9.87495 -45.4835 -228.754 PRESSAVG: 4715600 8.90727 31.0476 0.296905 31.0477 -99.1897 -4.53742 0.296908 -4.53742 48.5673 GPRESSAVG: 4715600 10.7812 33.1957 0.648563 29.453 -98.7766 -2.85052 -0.760576 -5.84867 46.4416 TIMING: 4715600 CPU: 13703.1, 0.00293299/step Wall: 13703.1, 0.00293299/step, 0.231707 hours remaining, 208.632812 MB of memory in use. ENERGY: 4715600 768.0630 2094.1570 1955.7245 103.3187 -205971.1528 17638.1068 0.0000 0.0000 34205.2103 -149206.5724 298.7226 -183411.7827 -149110.1748 299.2191 -192.2130 -156.8792 558658.7881 -13.9050 -13.8513 PRESSURE: 4715800 -99.6356 81.1608 68.5172 81.1608 91.5526 102.074 68.5171 102.074 -18.9495 GPRESSURE: 4715800 -57.8434 111.505 20.3097 95.6132 65.0516 206.127 57.1576 74.7114 53.7115 PRESSAVG: 4715800 66.5836 -1.55548 -57.6608 -1.55552 -75.6836 -32.8833 -57.6607 -32.8834 42.9033 GPRESSAVG: 4715800 65.047 -2.35716 -57.2284 0.690432 -74.4267 -32.2214 -59.4261 -33.5113 43.5639 TIMING: 4715800 CPU: 13703.7, 0.00294984/step Wall: 13703.7, 0.00294984/step, 0.232874 hours remaining, 208.632812 MB of memory in use. ENERGY: 4715800 744.6835 2001.7057 1951.7365 107.4833 -206096.6194 17871.3011 0.0000 0.0000 34191.9239 -149227.7855 298.6066 -183419.7094 -149137.3079 298.9217 -9.0108 20.3066 557429.8815 11.2678 11.3947 PRESSURE: 4716000 214.213 39.5673 70.4537 39.5685 84.0361 124.276 70.455 124.276 -171.137 GPRESSURE: 4716000 152.332 7.56552 46.1176 38.1329 165.242 48.3336 57.6888 168.673 -95.9633 PRESSAVG: 4716000 -10.5532 10.3225 59.1168 10.3225 -47.2131 10.3833 59.1168 10.3833 20.4151 GPRESSAVG: 4716000 -10.7985 10.7019 58.8513 7.31887 -47.3802 7.68474 60.6027 13.4555 21.7301 TIMING: 4716000 CPU: 13704.3, 0.00290546/step Wall: 13704.3, 0.00290546/step, 0.229208 hours remaining, 208.632812 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: 4716000 731.8727 2103.8051 1926.2938 108.4780 -206288.2872 17899.3626 0.0000 0.0000 34414.7765 -149103.6985 300.5528 -183518.4750 -149012.5852 298.9050 42.3706 73.8704 557183.6805 -12.4504 -12.1495 PRESSURE: 4716200 183.201 89.9601 97.9386 89.9604 10.0906 -67.0551 97.9398 -67.0547 -23.4698 GPRESSURE: 4716200 230.976 110.604 39.0473 -2.07064 25.2861 -77.6452 119.493 -64.4407 23.0916 PRESSAVG: 4716200 47.2746 8.09383 22.945 8.09396 47.8198 -39.2013 22.9451 -39.2012 -46.7994 GPRESSAVG: 4716200 48.1804 8.11873 23.6428 7.63312 46.6874 -39.4362 23.1547 -39.3728 -47.1723 TIMING: 4716200 CPU: 13704.9, 0.00291374/step Wall: 13704.9, 0.00291374/step, 0.2297 hours remaining, 208.632812 MB of memory in use. ENERGY: 4716200 767.4266 2066.3299 1986.0816 109.5496 -206278.7237 17990.0280 0.0000 0.0000 34185.8661 -149173.4420 298.5537 -183359.3080 -149087.6959 299.4292 56.6072 93.1179 556319.0342 16.0983 15.8985 LDB: ============= START OF LOAD BALANCING ============== 13708.4 LDB: ============== END OF LOAD BALANCING =============== 13708.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13708.4 LDB: ============= START OF LOAD BALANCING ============== 13708.6 LDB: Largest compute 4848 load 0.031847 is 27.0% of average load 0.117849 LDB: Average compute 0.001739 is 1.5% of average load 0.117849 LDB: TIME 13708.6 LOAD: AVG 0.117849 MAX 0.183154 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 13708.6 LOAD: AVG 0.117849 MAX 0.183154 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: TIME 13708.6 LOAD: AVG 0.117849 MAX 0.183154 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13708.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13708.7 PRESSURE: 4716400 -136.056 100.526 -75.0621 100.525 246.172 -81.5962 -75.0606 -81.5975 49.4832 GPRESSURE: 4716400 -70.8024 87.4227 -47.293 148.389 202.617 -21.5558 -28.5914 -49.0367 121.373 PRESSAVG: 4716400 39.4472 21.4172 -19.2547 21.4173 3.15877 11.5148 -19.2547 11.5148 -17.4354 GPRESSAVG: 4716400 39.8112 20.8329 -19.2863 23.3327 3.32264 12.4753 -19.2713 10.0962 -17.9686 TIMING: 4716400 CPU: 13705.5, 0.0029729/step Wall: 13705.5, 0.0029729/step, 0.234198 hours remaining, 207.355469 MB of memory in use. ENERGY: 4716400 739.1947 2070.3480 1945.7523 106.4442 -205918.7031 17844.4773 0.0000 0.0000 34116.7235 -149095.7631 297.9498 -183212.4866 -149001.6763 300.1295 53.1997 84.3957 558250.0598 8.3902 8.3884 PRESSURE: 4716600 66.5645 -36.3914 -48.7336 -36.3916 -43.3807 -120.335 -48.7317 -120.335 -65.9906 GPRESSURE: 4716600 70.8161 -17.1662 -83.8887 37.0655 -10.2862 -127.716 -10.7559 -114.797 -16.3328 PRESSAVG: 4716600 -2.50308 -10.7068 15.1862 -10.7068 22.1464 -18.0244 15.1862 -18.0245 14.6162 GPRESSAVG: 4716600 -3.65944 -9.87909 12.1044 -12.0904 22.9658 -17.4937 15.2098 -17.1356 15.0136 TIMING: 4716600 CPU: 13706.1, 0.00291679/step Wall: 13706.1, 0.00291679/step, 0.229616 hours remaining, 207.355469 MB of memory in use. ENERGY: 4716600 741.8428 2123.9484 1942.9810 102.6551 -206331.2706 17846.0549 0.0000 0.0000 34509.9722 -149063.8162 301.3842 -183573.7885 -148965.8387 299.3601 -14.2689 14.7324 556809.1628 11.4198 11.4400 PRESSURE: 4716800 -50.93 64.5271 -15.2633 64.5278 -98.4725 6.36821 -15.2629 6.36878 264.749 GPRESSURE: 4716800 -55.2284 51.4418 -23.435 13.4427 -79.1174 9.61052 -51.345 -39.582 336.175 PRESSAVG: 4716800 -16.75 -35.2258 -25.8328 -35.2257 45.5562 -1.97157 -25.8329 -1.97134 -49.0931 GPRESSAVG: 4716800 -14.7315 -35.1197 -22.8599 -36.8433 44.8074 -4.34579 -25.2768 -1.50572 -49.5591 TIMING: 4716800 CPU: 13706.6, 0.00291423/step Wall: 13706.6, 0.00291423/step, 0.229253 hours remaining, 207.355469 MB of memory in use. ENERGY: 4716800 736.2212 2066.5604 1984.5573 105.4619 -206179.6354 17961.8300 0.0000 0.0000 34423.5391 -148901.4655 300.6293 -183325.0046 -148799.0168 299.7533 38.4488 67.2764 557185.9318 -6.7623 -6.4944 PRESSURE: 4717000 18.3656 -22.8172 -134.196 -22.8174 -42.5055 142.264 -134.195 142.264 -381.576 GPRESSURE: 4717000 53.3573 -53.6245 -206.461 42.1205 -30.3542 171.984 -125.509 109.415 -336.919 PRESSAVG: 4717000 13.2766 6.39715 29.364 6.39714 -25.6878 -25.3563 29.3639 -25.3563 21.2058 GPRESSAVG: 4717000 13.3948 6.44587 29.823 8.39952 -25.3002 -22.4527 29.2735 -26.5497 20.9648 TIMING: 4717000 CPU: 13707.2, 0.00291718/step Wall: 13707.2, 0.00291718/step, 0.229323 hours remaining, 207.355469 MB of memory in use. ENERGY: 4717000 732.2385 2105.1379 1934.5103 105.3588 -205759.1723 17622.7680 0.0000 0.0000 34462.6173 -148796.5415 300.9706 -183259.1588 -148697.2031 299.8816 -135.2388 -104.6386 558916.6824 2.9315 3.0198 PRESSURE: 4717200 138.184 -11.4046 -19.9296 -11.4043 156.253 -100.902 -19.9312 -100.901 356.477 GPRESSURE: 4717200 207.489 -40.9349 -55.0401 35.4531 173.527 -72.4247 -42.3859 -92.2361 367.703 PRESSAVG: 4717200 5.7592 -2.67785 -46.039 -2.67796 3.7851 14.0914 -46.039 14.0913 -5.74434 GPRESSAVG: 4717200 4.3245 -3.35539 -46.9922 -1.1665 3.42718 13.0359 -46.9136 14.3318 -3.76238 TIMING: 4717200 CPU: 13707.8, 0.00289692/step Wall: 13707.8, 0.00289692/step, 0.227569 hours remaining, 207.355469 MB of memory in use. ENERGY: 4717200 752.3388 2117.8205 1959.9110 103.4915 -206257.5587 18205.9017 0.0000 0.0000 34362.1919 -148755.9033 300.0936 -183118.0952 -148659.0491 300.7758 216.9717 249.5732 557782.7104 1.2667 1.3298 PRESSURE: 4717400 -162.128 -161.4 -46.594 -161.4 -261.694 -95.6441 -46.5933 -95.6425 314.465 GPRESSURE: 4717400 -87.2065 -11.8281 -170.864 -228.012 -212.104 -120.427 48.9898 -59.421 280.342 PRESSAVG: 4717400 -5.14527 -10.1095 -45.2752 -10.1096 9.07503 -13.5344 -45.2752 -13.5344 16.7928 GPRESSAVG: 4717400 -5.16622 -7.46102 -44.8945 -12.065 10.7593 -13.2551 -45.8575 -13.5088 15.3 TIMING: 4717400 CPU: 13708.4, 0.00292587/step Wall: 13708.4, 0.00292587/step, 0.229681 hours remaining, 207.355469 MB of memory in use. ENERGY: 4717400 775.4223 2075.8373 1947.9794 111.7720 -205845.7219 17670.1825 0.0000 0.0000 34549.4654 -148715.0630 301.7291 -183264.5284 -148615.8303 300.3928 -36.4526 -6.3229 557455.2937 6.9075 6.9644 PRESSURE: 4717600 -37.6701 29.1772 84.6322 29.178 -111.724 91.8255 84.6312 91.8259 -66.394 GPRESSURE: 4717600 -12.9895 -44.3654 72.0488 170.629 -94.0614 60.5253 108.979 156.128 -10.1847 PRESSAVG: 4717600 -2.60907 -51.2788 0.351395 -51.2788 -18.3542 -14.6385 0.351498 -14.6385 -6.80271 GPRESSAVG: 4717600 -2.44956 -54.2379 -0.179445 -50.2954 -19.215 -14.4273 0.202804 -14.0349 -6.18359 TIMING: 4717600 CPU: 13709, 0.00292832/step Wall: 13709, 0.00292832/step, 0.229711 hours remaining, 207.656250 MB of memory in use. ENERGY: 4717600 733.1310 2082.6224 1980.6465 106.8386 -205867.1209 17749.1398 0.0000 0.0000 34428.7258 -148786.0168 300.6746 -183214.7426 -148691.5957 300.3084 -71.9295 -39.0785 558516.9468 -9.2553 -9.2827 PRESSURE: 4717800 26.5863 -130.159 -14.2695 -130.158 -3.98283 77.8775 -14.2681 77.8772 314.328 GPRESSURE: 4717800 62.321 -161.475 38.9223 -133.439 15.3808 29.5571 41.4306 126.49 349.8 PRESSAVG: 4717800 -27.0006 -18.2079 7.21779 -18.208 12.7365 -22.9553 7.21785 -22.9551 15.209 GPRESSAVG: 4717800 -25.8112 -16.7333 6.60221 -18.6725 12.4 -22.5695 10.1102 -23.8317 14.5636 TIMING: 4717800 CPU: 13709.6, 0.00288333/step Wall: 13709.6, 0.00288333/step, 0.226021 hours remaining, 207.656250 MB of memory in use. ENERGY: 4717800 750.2443 2059.9412 1939.5780 98.6401 -205742.8496 17688.4572 0.0000 0.0000 34499.6817 -148706.3072 301.2943 -183205.9889 -148605.9919 300.5750 112.3105 142.5006 556229.1052 0.3150 0.3841 PRESSURE: 4718000 -223.53 -104.957 -5.58709 -104.955 -359.53 -28.9191 -5.58721 -28.9187 -3.57188 GPRESSURE: 4718000 -129.41 -136.372 9.01649 -109.917 -347.487 -33.8826 -0.894344 -27.7147 -3.5789 PRESSAVG: 4718000 -22.6125 -58.3188 -11.7063 -58.3188 14.7569 -67.199 -11.7062 -67.1991 -5.088 GPRESSAVG: 4718000 -22.3749 -57.5663 -11.4565 -59.2768 13.8634 -66.6041 -13.2232 -68.2618 -4.03936 TIMING: 4718000 CPU: 13710.1, 0.002905/step Wall: 13710.1, 0.002905/step, 0.227559 hours remaining, 207.656250 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: 4718000 727.8756 2117.0854 1942.1615 110.2276 -205480.0163 17424.8979 0.0000 0.0000 34357.8982 -148799.8702 300.0561 -183157.7684 -148704.2350 300.3872 -195.5440 -160.1588 559615.1668 -4.3146 -4.1836 PRESSURE: 4718200 -54.3459 139.333 69.5979 139.332 105.41 -92.704 69.5977 -92.7044 -207.617 GPRESSURE: 4718200 -28.0844 161.993 -38.8152 114.765 124.682 -55.8459 36.2323 -157.038 -158.308 PRESSAVG: 4718200 89.9803 29.1201 26.7648 29.1201 -48.6782 -12.9404 26.7649 -12.9404 8.05895 GPRESSAVG: 4718200 88.0114 28.0599 25.6989 27.391 -46.9436 -14.3831 27.7857 -12.2542 7.80537 TIMING: 4718200 CPU: 13710.7, 0.00291504/step Wall: 13710.7, 0.00291504/step, 0.228183 hours remaining, 207.656250 MB of memory in use. ENERGY: 4718200 742.2181 2113.5024 1971.2896 126.5355 -205971.7298 17827.0510 0.0000 0.0000 34505.6994 -148685.4338 301.3469 -183191.1332 -148593.8663 300.5637 -52.1843 -20.5701 557467.4648 16.4537 16.2910 PRESSURE: 4718400 219.872 43.1663 144.516 43.1664 171.933 14.4728 144.516 14.4731 41.0242 GPRESSURE: 4718400 179.588 84.9237 98.3402 91.495 229.72 43.8222 89.2057 35.7497 111.907 PRESSAVG: 4718400 47.3709 -39.395 12.4821 -39.3949 -8.91847 -52.3333 12.4821 -52.3332 -40.2515 GPRESSAVG: 4718400 48.1751 -39.6787 14.1011 -34.8743 -9.34852 -53.5127 13.1088 -52.2554 -40.7863 TIMING: 4718400 CPU: 13711.3, 0.00296096/step Wall: 13711.3, 0.00296096/step, 0.231613 hours remaining, 207.656250 MB of memory in use. ENERGY: 4718400 751.3806 2180.6881 1946.7424 108.5886 -206086.3271 17971.1583 0.0000 0.0000 34258.9374 -148868.8318 299.1918 -183127.7692 -148774.4147 300.6064 144.2764 173.7380 557772.4861 -0.5997 -0.6533 PRESSURE: 4718600 217.023 85.9993 -62.9243 85.9985 77.8904 -60.5871 -62.9243 -60.5884 -40.8417 GPRESSURE: 4718600 262.796 45.3161 -57.3256 126.449 127.22 -121.663 -40.8662 7.90409 -34.3462 PRESSAVG: 4718600 85.3201 12.7379 -46.7595 12.7379 23.9947 40.7285 -46.7595 40.7284 -88.6965 GPRESSAVG: 4718600 84.8522 11.7767 -46.8091 11.6226 23.2124 42.3033 -47.0364 39.2021 -87.8609 TIMING: 4718600 CPU: 13711.9, 0.00293783/step Wall: 13711.9, 0.00293783/step, 0.229641 hours remaining, 207.890625 MB of memory in use. ENERGY: 4718600 759.2762 2076.0206 1934.1723 108.2760 -206209.2780 18026.0912 0.0000 0.0000 34492.9595 -148812.4823 301.2356 -183305.4418 -148705.6573 300.8775 84.6907 118.5565 558865.7710 6.8728 6.7346 PRESSURE: 4718800 -277.319 -81.3061 -122.383 -81.3048 162.785 -26.3421 -122.382 -26.343 -88.2141 GPRESSURE: 4718800 -256.437 -31.4327 -21.2193 -85.3684 256.217 -61.4705 -106.422 15.0586 -104.129 PRESSAVG: 4718800 -29.031 23.549 -38.8816 23.549 59.3712 12.4255 -38.8815 12.4254 -14.5029 GPRESSAVG: 4718800 -29.5768 24.9714 -38.4291 23.4207 59.6806 10.9758 -38.6862 13.3292 -14.675 TIMING: 4718800 CPU: 13712.5, 0.00292643/step Wall: 13712.5, 0.00292643/step, 0.228587 hours remaining, 207.890625 MB of memory in use. ENERGY: 4718800 751.0498 2091.5969 1968.1641 113.6291 -206123.4555 17865.6755 0.0000 0.0000 34393.2028 -148940.1373 300.3644 -183333.3401 -148845.9869 300.1154 -67.5825 -34.7829 559525.8270 5.2791 5.1429 PRESSURE: 4719000 -172.84 -127.455 32.1766 -127.455 62.5909 -62.0116 32.177 -62.0108 -223.628 GPRESSURE: 4719000 -147.683 -141.689 -58.4515 -79.3383 93.6567 -63.5627 118.7 -32.2942 -185.231 PRESSAVG: 4719000 -16.7397 -25.1273 0.934378 -25.1273 49.7519 -21.1606 0.93438 -21.1606 -87.091 GPRESSAVG: 4719000 -15.106 -26.9895 0.115092 -24.9506 49.9104 -22.3865 0.296657 -20.5425 -88.1691 TIMING: 4719000 CPU: 13713.1, 0.00292244/step Wall: 13713.1, 0.00292244/step, 0.228113 hours remaining, 207.890625 MB of memory in use. ENERGY: 4719000 765.5909 2065.2210 1968.1571 107.2175 -205958.9268 17707.9539 0.0000 0.0000 34423.3775 -148921.4090 300.6279 -183344.7865 -148830.0320 300.5334 -111.2924 -79.7524 558383.0329 -18.0263 -17.7882 PRESSURE: 4719200 -70.3334 15.6406 82.411 15.6385 -12.8459 17.0716 82.4119 17.0737 19.6804 GPRESSURE: 4719200 -97.6628 21.3801 152.314 -35.6062 10.7017 107.911 39.7257 -16.0703 107.656 PRESSAVG: 4719200 -14.7778 -38.2325 13.6845 -38.2324 -9.76349 -3.48379 13.6845 -3.48396 41.6937 GPRESSAVG: 4719200 -15.0926 -36.5361 13.8078 -40.4972 -11.2015 -1.9992 13.4314 -3.75596 43.2915 TIMING: 4719200 CPU: 13713.7, 0.00291464/step Wall: 13713.7, 0.00291464/step, 0.227342 hours remaining, 207.890625 MB of memory in use. ENERGY: 4719200 743.7085 2102.4957 1935.4987 113.2655 -205855.6157 17762.2624 0.0000 0.0000 34139.2762 -149059.1087 298.1468 -183198.3849 -148961.8172 300.0212 -21.1663 6.8982 559511.5956 5.7175 5.6658 PRESSURE: 4719400 126.356 -16.4156 -51.1856 -16.4158 -293.773 -58.0312 -51.185 -58.0307 -289.546 GPRESSURE: 4719400 202.525 98.9947 -9.81528 28.1703 -330.282 -57.7214 24.3426 -102.663 -236.359 PRESSAVG: 4719400 1.42338 33.9753 -11.2972 33.9753 35.3627 -3.69577 -11.2972 -3.6958 -54.8389 GPRESSAVG: 4719400 0.646744 35.2074 -11.1659 35.458 37.4266 -3.76776 -9.25863 -3.58719 -55.3578 TIMING: 4719400 CPU: 13714.2, 0.00291498/step Wall: 13714.2, 0.00291498/step, 0.227206 hours remaining, 207.890625 MB of memory in use. ENERGY: 4719400 771.2778 2060.0842 1969.4295 124.0468 -205810.1645 17670.1911 0.0000 0.0000 34157.4426 -149057.6925 298.3054 -183215.1351 -148961.6339 298.8770 -152.3212 -121.3720 559310.6746 -6.0176 -5.7615 PRESSURE: 4719600 127.437 -12.7455 -1.30731 -12.7455 -142.037 -36.5964 -1.30777 -36.596 252.521 GPRESSURE: 4719600 153.725 -25.1955 71.7189 22.004 -87.2001 -66.4862 -69.2914 -50.8255 263.089 PRESSAVG: 4719600 18.8423 -2.50415 -50.4725 -2.50409 -9.93899 14.9069 -50.4725 14.907 -28.9956 GPRESSAVG: 4719600 19.3755 -3.64941 -50.9675 -2.16366 -10.0504 15.6623 -52.4742 16.3818 -28.7426 TIMING: 4719600 CPU: 13714.8, 0.00292359/step Wall: 13714.8, 0.00292359/step, 0.227715 hours remaining, 207.890625 MB of memory in use. ENERGY: 4719600 742.0841 2058.4780 1977.3779 133.4535 -205902.4596 17937.1345 0.0000 0.0000 34180.8418 -148873.0898 298.5098 -183053.9316 -148775.9521 299.5634 79.3069 109.8715 558135.7864 -6.6974 -6.4725 PRESSURE: 4719800 188.723 -208.056 -28.8529 -208.057 -123.991 -40.0788 -28.8529 -40.0785 197.483 GPRESSURE: 4719800 252.363 -222.125 -8.17656 -185.595 -111.374 -84.6471 -72.9676 -53.4863 213.277 PRESSAVG: 4719800 16.9604 -13.0092 33.9868 -13.0092 -26.1644 -11.0439 33.9869 -11.0438 5.79904 GPRESSAVG: 4719800 17.188 -13.2311 33.5879 -12.8802 -25.5208 -12.1203 35.7576 -11.8567 4.86692 TIMING: 4719800 CPU: 13715.4, 0.00291099/step Wall: 13715.4, 0.00291099/step, 0.226572 hours remaining, 207.890625 MB of memory in use. ENERGY: 4719800 743.6324 2092.7378 1951.6034 130.9626 -206076.9926 17794.5241 0.0000 0.0000 34439.1737 -148924.3586 300.7659 -183363.5322 -148831.0342 300.1707 87.4052 118.0886 555994.5434 -1.1350 -1.1553 PRESSURE: 4720000 319.287 -241.563 -30.2055 -241.563 128.24 79.8652 -30.2056 79.8663 236.259 GPRESSURE: 4720000 376.852 -160.722 -11.2968 -369.949 148.956 1.98116 -7.52724 83.4625 258.857 PRESSAVG: 4720000 -22.0338 -36.6328 -5.10216 -36.6327 38.7633 -12.7701 -5.10211 -12.7701 -10.7573 GPRESSAVG: 4720000 -20.1009 -38.1105 -4.72056 -37.7815 37.6829 -12.5613 -6.10313 -12.22 -11.2072 TIMING: 4720000 CPU: 13716, 0.00291365/step Wall: 13716, 0.00291365/step, 0.226618 hours remaining, 207.890625 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: 4720000 760.0478 2117.4059 1945.5612 108.9916 -206463.5630 18217.0509 0.0000 0.0000 34288.1891 -149026.3165 299.4473 -183314.5055 -148931.4916 300.5526 227.9287 261.5546 556946.9662 1.9907 2.1250 PRESSURE: 4720200 89.9793 -100.149 -164.458 -100.148 92.4614 -23.5833 -164.457 -23.5819 299.758 GPRESSURE: 4720200 140.299 -163.327 -134.782 -89.1066 183.092 -93.8174 -125.469 2.63381 256.88 PRESSAVG: 4720200 19.1537 -35.201 -65.1496 -35.201 42.2211 -18.827 -65.1496 -18.827 -90.8466 GPRESSAVG: 4720200 18.6874 -33.0704 -64.533 -34.5975 43.0895 -17.1322 -66.6199 -19.2901 -90.6539 TIMING: 4720200 CPU: 13716.6, 0.00293315/step Wall: 13716.6, 0.00293315/step, 0.227971 hours remaining, 207.890625 MB of memory in use. ENERGY: 4720200 744.7069 2144.2608 1953.5168 105.2994 -206368.8366 18027.6446 0.0000 0.0000 34426.2846 -148967.1235 300.6533 -183393.4081 -148867.0374 299.5832 160.7329 193.4236 556439.8446 -9.8239 -9.6257 LDB: ============= START OF LOAD BALANCING ============== 13720 LDB: ============== END OF LOAD BALANCING =============== 13720 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13720 LDB: ============= START OF LOAD BALANCING ============== 13720.3 LDB: Largest compute 4848 load 0.031571 is 26.8% of average load 0.117908 LDB: Average compute 0.001732 is 1.5% of average load 0.117908 LDB: TIME 13720.3 LOAD: AVG 0.117908 MAX 0.185962 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 13720.3 LOAD: AVG 0.117908 MAX 0.185962 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: TIME 13720.3 LOAD: AVG 0.117908 MAX 0.185962 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13720.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13720.3 PRESSURE: 4720400 149.275 72.9448 -67.4615 72.9441 123.713 67.3922 -67.4602 67.3921 -20.2684 GPRESSURE: 4720400 182.691 80.6123 -18.3814 147.165 112.978 33.1778 -81.9721 107.046 36.8912 PRESSAVG: 4720400 52.49 47.3438 0.231293 47.3438 41.2005 -1.24653 0.231278 -1.24646 -60.7857 GPRESSAVG: 4720400 51.5985 46.408 -1.65311 48.8859 40.1391 -2.3875 2.73216 -3.89207 -58.9044 TIMING: 4720400 CPU: 13717.2, 0.00298093/step Wall: 13717.2, 0.00298093/step, 0.231519 hours remaining, 208.386719 MB of memory in use. ENERGY: 4720400 707.9304 2107.6846 1943.9698 115.7753 -206031.0966 17819.7354 0.0000 0.0000 34350.5911 -148985.4100 299.9923 -183336.0011 -148886.0505 300.0375 84.2397 110.8536 557080.4978 10.9683 10.9444 PRESSURE: 4720600 131.349 117.292 162.204 117.292 -312.375 -31.0453 162.204 -31.0445 101.86 GPRESSURE: 4720600 180.836 43.5417 181.726 135.556 -269.897 -48.3165 185.924 -0.95231 111.143 PRESSAVG: 4720600 -9.77463 73.8023 18.2592 73.8023 -15.193 -24.7929 18.2592 -24.7928 -14.7747 GPRESSAVG: 4720600 -8.67195 71.9063 19.5765 74.0088 -14.4772 -26.6963 17.5668 -24.0559 -16.3534 TIMING: 4720600 CPU: 13717.8, 0.00292178/step Wall: 13717.8, 0.00292178/step, 0.226763 hours remaining, 208.457031 MB of memory in use. ENERGY: 4720600 732.7375 2092.0193 1945.5110 117.5765 -206005.8973 17824.9836 0.0000 0.0000 34336.5774 -148956.4919 299.8699 -183293.0693 -148862.2969 299.7175 -26.3884 7.3605 558764.4129 -13.2474 -13.1675 PRESSURE: 4720800 -121.215 97.309 125.336 97.3088 57.9325 99.2478 125.336 99.2484 23.4548 GPRESSURE: 4720800 -87.7607 146.507 132.286 12.0896 71.2377 27.2361 119.099 89.9783 69.1866 PRESSAVG: 4720800 -70.2552 33.7857 7.19765 33.7857 24.0963 7.91174 7.19755 7.91172 42.8677 GPRESSAVG: 4720800 -71.5213 35.2833 9.37921 31.2529 23.6737 7.66432 6.77097 10.317 44.7111 TIMING: 4720800 CPU: 13718.3, 0.00291557/step Wall: 13718.3, 0.00291557/step, 0.226119 hours remaining, 208.457031 MB of memory in use. ENERGY: 4720800 737.5509 2137.7127 1966.4172 119.2421 -206356.1881 17856.6126 0.0000 0.0000 34429.0222 -149109.6305 300.6772 -183538.6527 -149010.0832 300.0495 -13.2761 17.5545 556579.9943 -1.0970 -1.0455 PRESSURE: 4721000 -42.1534 98.4522 16.0099 98.4521 26.2024 148.471 16.0107 148.472 202.324 GPRESSURE: 4721000 34.1995 3.23785 -12.4846 43.5996 43.2753 135.742 -69.3057 130.76 209.224 PRESSAVG: 4721000 -13.2142 -24.2889 98.7958 -24.289 -2.02298 33.1966 98.7958 33.1966 21.7777 GPRESSAVG: 4721000 -14.2416 -24.3857 95.5163 -23.5393 -0.904774 33.6742 98.4685 32.3282 21.6269 TIMING: 4721000 CPU: 13718.9, 0.0029101/step Wall: 13718.9, 0.0029101/step, 0.225533 hours remaining, 208.457031 MB of memory in use. ENERGY: 4721000 777.9460 2151.5440 1950.6444 114.3655 -206605.3269 18187.8825 0.0000 0.0000 34219.5696 -149203.3750 298.8480 -183422.9446 -149100.3049 298.9026 62.1243 95.5663 556705.1698 2.1802 2.1602 PRESSURE: 4721200 -153.935 21.8403 33.8119 21.8397 -172.852 11.2549 33.8132 11.254 -309.49 GPRESSURE: 4721200 -190.708 128.374 -40.9092 -2.95958 -141.768 50.0968 131.759 53.4107 -209.598 PRESSAVG: 4721200 0.699651 2.41722 -44.1134 2.4172 61.0194 10.7288 -44.1135 10.7288 -53.277 GPRESSAVG: 4721200 1.88428 4.02081 -42.633 2.68919 60.0781 11.6233 -45.3143 8.48164 -53.5991 TIMING: 4721200 CPU: 13719.5, 0.00294189/step Wall: 13719.5, 0.00294189/step, 0.227833 hours remaining, 208.457031 MB of memory in use. ENERGY: 4721200 745.8218 2105.9211 1978.3480 121.4101 -206094.0638 17527.5967 0.0000 0.0000 34323.7028 -149291.2633 299.7574 -183614.9661 -149190.8737 299.4848 -212.0925 -180.6911 556537.8813 2.8140 2.7878 PRESSURE: 4721400 -122.895 37.8422 42.8769 37.8423 59.7592 163.285 42.8765 163.286 -175.984 GPRESSURE: 4721400 -65.7916 -14.3431 164.726 -4.61464 58.5598 103.091 -22.3897 226.785 -129.663 PRESSAVG: 4721400 -33.1415 28.3687 -25.4211 28.3687 6.48475 15.5336 -25.4211 15.5336 -8.18474 GPRESSAVG: 4721400 -32.9083 27.9818 -25.9698 27.482 6.26626 15.8795 -22.4999 18.3345 -7.65556 TIMING: 4721400 CPU: 13720.1, 0.00294223/step Wall: 13720.1, 0.00294223/step, 0.227696 hours remaining, 208.457031 MB of memory in use. ENERGY: 4721400 708.9357 2072.0574 1969.6359 125.4065 -205946.5807 17519.0035 0.0000 0.0000 34200.5182 -149351.0235 298.6816 -183551.5417 -149254.2644 299.1095 -79.7064 -45.6316 556684.3133 -11.6138 -11.4325 PRESSURE: 4721600 -27.7856 -39.8503 78.0534 -39.8507 10.115 35.9141 78.055 35.9154 -150.14 GPRESSURE: 4721600 31.6189 -112.909 3.44155 73.2984 38.0998 -15.2994 81.5761 32.2702 -141.851 PRESSAVG: 4721600 56.3724 53.3001 -3.60555 53.3002 -9.70413 -38.4841 -3.60553 -38.484 -23.891 GPRESSAVG: 4721600 56.3936 50.47 -3.45193 55.1764 -10.1203 -41.4677 -5.3627 -39.6713 -23.13 TIMING: 4721600 CPU: 13720.7, 0.00290962/step Wall: 13720.7, 0.00290962/step, 0.225011 hours remaining, 208.457031 MB of memory in use. ENERGY: 4721600 753.0311 2026.7612 1989.7254 91.2496 -205970.9562 17608.6484 0.0000 0.0000 34149.7662 -149351.7743 298.2384 -183501.5405 -149251.5669 298.7061 -55.9370 -24.0441 556827.2473 7.5924 7.7144 PRESSURE: 4721800 -5.49159 101.32 -242.924 101.318 112.839 83.2512 -242.925 83.2511 -138.628 GPRESSURE: 4721800 -16.4582 158.35 -352.406 -7.83982 124.991 96.6232 -180.525 43.6571 -43.6163 PRESSAVG: 4721800 -14.1819 7.28069 39.7724 7.28079 61.5629 -6.06938 39.7724 -6.0694 -48.7355 GPRESSAVG: 4721800 -14.4176 8.41861 38.6555 5.28963 62.5845 -4.25588 38.5593 -6.17308 -48.9183 TIMING: 4721800 CPU: 13721.3, 0.00292012/step Wall: 13721.3, 0.00292012/step, 0.22566 hours remaining, 208.546875 MB of memory in use. ENERGY: 4721800 761.5369 2058.8627 1983.5447 114.9973 -206629.0864 18125.4678 0.0000 0.0000 34264.3538 -149320.3232 299.2391 -183584.6770 -149223.4739 298.8903 -10.4267 21.6388 557389.0922 -0.4515 -0.2505 PRESSURE: 4722000 114.605 -61.8561 13.0213 -61.8581 -3.0418 -96.107 13.0206 -96.1072 -131.319 GPRESSURE: 4722000 98.4312 -74.7724 72.5811 -24.0127 67.0866 -143.181 -103.964 -69.4342 -81.3813 PRESSAVG: 4722000 -30.3561 -15.0345 -41.7264 -15.0345 83.3246 -20.3671 -41.7264 -20.367 -37.7266 GPRESSAVG: 4722000 -29.7544 -15.3925 -38.1216 -12.0852 82.5518 -20.3554 -43.7561 -20.8014 -37.7421 TIMING: 4722000 CPU: 13721.8, 0.00291345/step Wall: 13721.8, 0.00291345/step, 0.224983 hours remaining, 208.546875 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: 4722000 727.8806 2043.1629 1929.1512 117.3473 -206294.8254 17844.6966 0.0000 0.0000 34246.5539 -149386.0331 299.0837 -183632.5870 -149289.5885 298.9028 -6.5851 28.0455 557927.8995 5.0806 5.0184 PRESSURE: 4722200 -129.748 -15.8652 20.3093 -15.8656 -77.7728 -11.1587 20.3071 -11.1585 -8.76462 GPRESSURE: 4722200 -91.6821 -77.5823 121.594 2.0487 -48.7243 -22.5671 -50.771 22.5018 20.1439 PRESSAVG: 4722200 -46.8806 -10.7629 2.02281 -10.7629 55.6381 17.2579 2.02289 17.2577 -16.6251 GPRESSAVG: 4722200 -47.0576 -10.1285 -0.168953 -12.3622 56.2545 17.3511 3.1886 18.1711 -16.6488 TIMING: 4722200 CPU: 13722.4, 0.00291522/step Wall: 13722.4, 0.00291522/step, 0.224958 hours remaining, 208.789062 MB of memory in use. ENERGY: 4722200 732.1182 2103.6882 1942.1785 117.1620 -206290.7175 17796.8404 0.0000 0.0000 34221.2007 -149377.5294 298.8623 -183598.7301 -149286.6441 298.6152 -72.0952 -40.0875 557613.9342 -2.6226 -2.4840 PRESSURE: 4722400 -399.664 187.945 -1.92936 187.944 -405.597 -92.0361 -1.92927 -92.0366 -148.602 GPRESSURE: 4722400 -314.503 141.518 11.653 199.209 -392.025 -85.809 -73.5815 -107.804 -155.823 PRESSAVG: 4722400 18.265 16.9451 -0.618611 16.9451 26.3472 -44.3434 -0.618512 -44.3434 -8.48528 GPRESSAVG: 4722400 17.8531 16.9842 -0.690883 16.5613 26.2657 -45.6766 0.323064 -44.633 -7.95745 TIMING: 4722400 CPU: 13723, 0.00291472/step Wall: 13723, 0.00291472/step, 0.224758 hours remaining, 208.789062 MB of memory in use. ENERGY: 4722400 708.6159 2085.2569 1946.8002 119.0568 -205816.3532 17443.6015 0.0000 0.0000 34301.6855 -149211.3363 299.5652 -183513.0219 -149113.8365 299.1764 -317.9545 -287.4503 559408.6106 12.0423 12.0538 PRESSURE: 4722600 -176.877 141.644 -44.6508 141.644 75.9563 -73.6266 -44.6507 -73.6258 -34.5072 GPRESSURE: 4722600 -56.8596 169.564 -41.6176 94.9341 61.6657 -148.633 -68.8179 -7.37042 -45.3244 PRESSAVG: 4722600 51.9982 19.3484 -16.2344 19.3484 17.1354 -30.8089 -16.2345 -30.8089 -35.2399 GPRESSAVG: 4722600 52.705 21.4214 -17.0829 19.4389 16.9319 -30.0577 -15.8971 -30.0017 -35.5284 TIMING: 4722600 CPU: 13723.6, 0.00292179/step Wall: 13723.6, 0.00292179/step, 0.22514 hours remaining, 208.789062 MB of memory in use. ENERGY: 4722600 723.1441 2124.9905 1934.9153 103.8070 -205857.6812 17760.2189 0.0000 0.0000 34138.3521 -149072.2534 298.1387 -183210.6055 -148977.1875 299.4290 -45.1426 -13.5061 559679.0723 11.2979 11.3695 PRESSURE: 4722800 114.892 -49.111 117.34 -49.1103 203.414 -114.194 117.341 -114.194 266.092 GPRESSURE: 4722800 107.973 10.7945 41.0068 -48.828 214.228 -121.657 223.16 -41.1849 364.176 PRESSAVG: 4722800 -58.5562 6.13712 -28.7694 6.13702 53.4857 -8.11623 -28.7694 -8.11614 -2.86614 GPRESSAVG: 4722800 -57.9113 5.07139 -29.7723 7.29715 53.4122 -8.238 -29.2551 -8.21238 -3.22333 TIMING: 4722800 CPU: 13724.2, 0.00293984/step Wall: 13724.2, 0.00293984/step, 0.226368 hours remaining, 208.789062 MB of memory in use. ENERGY: 4722800 739.8743 2138.1740 1962.3466 113.8849 -206319.8674 18068.3064 0.0000 0.0000 34376.9963 -148920.2849 300.2229 -183297.2812 -148829.4504 299.7097 194.7997 228.7921 556936.1431 -2.6455 -2.5741 PRESSURE: 4723000 -0.672798 -19.6153 209.596 -19.6149 297.247 37.7664 209.596 37.7675 193.865 GPRESSURE: 4723000 78.273 -73.7885 169.419 37.7881 324.109 58.835 163.122 9.84597 187.476 PRESSAVG: 4723000 1.8954 8.62028 23.394 8.62037 8.19515 31.3587 23.3939 31.3588 -4.81111 GPRESSAVG: 4723000 1.90481 7.37356 24.1077 7.15303 8.99231 31.357 24.634 29.2092 -5.27664 TIMING: 4723000 CPU: 13724.8, 0.00292407/step Wall: 13724.8, 0.00292407/step, 0.224991 hours remaining, 208.789062 MB of memory in use. ENERGY: 4723000 733.9326 2118.7824 1933.8153 110.4602 -206283.8054 17938.4379 0.0000 0.0000 34425.2407 -149023.1364 300.6442 -183448.3771 -148927.7626 300.2467 163.4797 196.6192 557131.9263 1.7598 1.8735 PRESSURE: 4723200 91.8735 25.6994 -114.984 25.7002 -53.1372 -136.512 -114.984 -136.513 151.219 GPRESSURE: 4723200 76.9024 -35.6638 -88.3703 68.2814 21.6218 -119.016 -152.278 -148.909 181.29 PRESSAVG: 4723200 14.6741 3.99899 -7.26155 3.99898 26.9334 -18.7464 -7.26154 -18.7466 -16.9544 GPRESSAVG: 4723200 15.4538 4.16775 -7.83967 5.72397 26.5644 -17.6413 -8.98277 -17.535 -16.4755 TIMING: 4723200 CPU: 13725.4, 0.00296586/step Wall: 13725.4, 0.00296586/step, 0.228042 hours remaining, 208.789062 MB of memory in use. ENERGY: 4723200 787.9281 2092.9140 1952.5994 109.5905 -206257.5550 17801.3504 0.0000 0.0000 34346.5500 -149166.6226 299.9570 -183513.1725 -149073.9773 299.7596 63.3184 93.2713 555938.3723 8.2177 8.5142 PRESSURE: 4723400 -73.2722 -111.582 -75.5416 -111.583 -61.1552 -31.3243 -75.5399 -31.324 13.5492 GPRESSURE: 4723400 -22.3557 -86.2812 -52.9485 -126.796 -13.4194 -42.6854 24.4412 19.4788 12.8335 PRESSAVG: 4723400 2.03409 -60.7421 18.8902 -60.742 -4.69453 12.0586 18.89 12.0586 15.5231 GPRESSAVG: 4723400 1.50801 -57.7165 19.4639 -62.4402 -5.06919 14.2179 21.2353 12.6901 16.4373 TIMING: 4723400 CPU: 13725.9, 0.00294832/step Wall: 13725.9, 0.00294832/step, 0.226529 hours remaining, 208.789062 MB of memory in use. ENERGY: 4723400 752.4877 2058.0581 1950.8889 114.3424 -206027.0868 17586.8054 0.0000 0.0000 34435.3679 -149129.1364 300.7326 -183564.5044 -149023.6665 300.1102 -40.2927 -7.6472 556773.5240 4.2876 4.2920 PRESSURE: 4723600 -128.228 3.64929 18.1114 3.64887 -151.491 15.7728 18.1114 15.7731 92.162 GPRESSURE: 4723600 -74.7502 -40.4689 -26.5584 90.8797 -108.16 -75.8741 -37.3394 86.8689 96.5892 PRESSAVG: 4723600 32.2625 42.5799 -59.9131 42.5799 -13.1354 -8.33366 -59.9131 -8.33371 3.95307 GPRESSAVG: 4723600 32.6091 40.3844 -59.6311 44.0589 -12.9613 -11.7632 -61.7937 -9.95449 3.9155 TIMING: 4723600 CPU: 13726.5, 0.00295491/step Wall: 13726.5, 0.00295491/step, 0.226872 hours remaining, 208.789062 MB of memory in use. ENERGY: 4723600 770.1141 2085.1610 1921.4931 114.6540 -206130.3125 17815.7737 0.0000 0.0000 34504.6199 -148918.4967 301.3374 -183423.1166 -148812.5049 300.1079 -62.5192 -28.7737 558617.5999 7.6934 7.8544 PRESSURE: 4723800 -151.712 24.8655 5.36722 24.8656 50.0049 106.767 5.36691 106.767 -16.7263 GPRESSURE: 4723800 -127.327 -26.6509 -52.5366 -40.8646 89.3945 104.055 96.497 75.9755 19.6889 PRESSAVG: 4723800 -21.61 14.3397 46.507 14.3397 25.2834 26.8735 46.5071 26.8734 -1.96058 GPRESSAVG: 4723800 -21.7511 14.2112 46.098 13.717 25.6167 25.8457 46.4831 26.5284 -2.41166 TIMING: 4723800 CPU: 13727.1, 0.00295213/step Wall: 13727.1, 0.00295213/step, 0.226494 hours remaining, 208.789062 MB of memory in use. ENERGY: 4723800 727.8635 2048.2149 1941.0096 115.0496 -205834.1715 17773.2794 0.0000 0.0000 34219.8021 -149008.9524 298.8500 -183228.7545 -148905.5635 300.0520 -39.4779 -6.0812 559119.2490 0.5709 0.4846 PRESSURE: 4724000 1.33789 9.83561 -115.838 9.83535 -245.931 45.3551 -115.838 45.3535 -337.38 GPRESSURE: 4724000 22.0471 20.8847 -49.3929 4.69829 -225.285 19.5966 -119.003 52.2484 -287.044 PRESSAVG: 4724000 42.8959 -46.7613 20.2868 -46.7613 -48.61 26.7017 20.2868 26.7017 -15.2923 GPRESSAVG: 4724000 42.453 -47.4961 20.9755 -45.5315 -48.161 25.0829 21.8411 30.3519 -15.4 TIMING: 4724000 CPU: 13727.7, 0.00293326/step Wall: 13727.7, 0.00293325/step, 0.224883 hours remaining, 208.789062 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: 4724000 759.6823 2102.8503 1913.6672 115.4356 -205537.7239 17420.4820 0.0000 0.0000 34099.8591 -149125.7474 297.8026 -183225.6065 -149033.2472 299.3022 -193.9911 -163.4274 557151.8243 -7.0021 -7.0360 PRESSURE: 4724200 131.563 93.0965 156.089 93.0972 -141.876 46.5052 156.089 46.5068 228.547 GPRESSURE: 4724200 142.743 109.134 93.5768 32.1325 -58.1069 151.594 98.4591 -78.1991 240.664 PRESSAVG: 4724200 84.8056 -2.95975 5.14735 -2.95968 -47.4412 17.0708 5.14748 17.0708 -70.3011 GPRESSAVG: 4724200 84.9521 -1.89055 4.6048 -3.8643 -48.0934 21.6749 3.97183 12.8069 -69.64 TIMING: 4724200 CPU: 13728.3, 0.00291845/step Wall: 13728.3, 0.00291845/step, 0.223585 hours remaining, 208.789062 MB of memory in use. ENERGY: 4724200 720.0403 2023.7350 1957.4459 109.4048 -206140.0334 17800.1429 0.0000 0.0000 34272.3957 -149256.8689 299.3094 -183529.2647 -149156.5381 299.3515 72.7446 108.4333 557049.7476 -10.9789 -10.9271 LDB: ============= START OF LOAD BALANCING ============== 13731.8 LDB: ============== END OF LOAD BALANCING =============== 13731.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13731.8 LDB: ============= START OF LOAD BALANCING ============== 13732.1 LDB: Largest compute 4848 load 0.031408 is 26.6% of average load 0.117891 LDB: Average compute 0.001728 is 1.5% of average load 0.117891 LDB: TIME 13732.1 LOAD: AVG 0.117891 MAX 0.185039 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.453 MB LDB: TIME 13732.1 LOAD: AVG 0.117891 MAX 0.185039 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: TIME 13732.1 LOAD: AVG 0.117891 MAX 0.185039 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.656 MB LDB: ============== END OF LOAD BALANCING =============== 13732.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13732.1 PRESSURE: 4724400 -73.2015 197.902 60.9027 197.902 -130.186 -82.1433 60.9032 -82.1443 -116.877 GPRESSURE: 4724400 -44.8475 130.624 24.2216 136.346 -140.055 -130.515 109.073 -110.336 -43.0061 PRESSAVG: 4724400 7.63514 24.724 7.82845 24.724 -46.1087 19.6239 7.82845 19.6238 -3.21082 GPRESSAVG: 4724400 6.51866 22.5935 8.3325 26.0413 -45.7953 17.4418 8.23243 22.4536 -2.63149 TIMING: 4724400 CPU: 13728.9, 0.00296322/step Wall: 13728.9, 0.00296322/step, 0.226851 hours remaining, 207.613281 MB of memory in use. ENERGY: 4724400 728.8951 2001.3391 1958.6686 104.6357 -205915.5321 17611.0966 0.0000 0.0000 34159.0622 -149351.8349 298.3196 -183510.8970 -149249.6792 298.7353 -106.7549 -75.9696 558108.6613 -13.8948 -13.9694 PRESSURE: 4724600 -59.0519 75.2832 -367.94 75.2831 203.651 -116.348 -367.94 -116.348 18.3823 GPRESSURE: 4724600 12.8968 113.705 -317.893 90.2152 207.597 -83.4523 -366.462 -103.695 41.6916 PRESSAVG: 4724600 -29.3997 12.0213 -71.9697 12.0213 -13.3624 27.3927 -71.9697 27.3927 74.6287 GPRESSAVG: 4724600 -27.4784 14.0152 -72.0549 10.577 -11.8991 27.2106 -71.3447 25.8554 71.9155 TIMING: 4724600 CPU: 13729.5, 0.00289093/step Wall: 13729.5, 0.00289093/step, 0.221156 hours remaining, 207.816406 MB of memory in use. ENERGY: 4724600 718.3214 2052.6616 1968.2701 103.8043 -206312.3529 18044.2829 0.0000 0.0000 34231.9124 -149193.1002 298.9558 -183425.0126 -149098.6402 298.7185 54.3272 87.3950 558781.5184 10.6222 10.8460 PRESSURE: 4724800 -89.1591 101.138 -60.2116 101.138 -2.53395 -112.892 -60.2107 -112.893 -64.1543 GPRESSURE: 4724800 -68.5773 132.779 35.4583 106.254 24.9778 -107.052 -42.5932 -148.45 -31.0071 PRESSAVG: 4724800 -5.34588 62.4852 -39.2305 62.4851 -24.3199 2.32453 -39.2304 2.3246 51.6382 GPRESSAVG: 4724800 -6.25892 61.5254 -39.466 62.4139 -25.5158 3.41338 -39.7675 3.33359 53.4844 TIMING: 4724800 CPU: 13730.1, 0.00290855/step Wall: 13730.1, 0.00290855/step, 0.222342 hours remaining, 207.816406 MB of memory in use. ENERGY: 4724800 740.8880 2005.4690 1957.6115 109.2864 -206248.5027 17933.6713 0.0000 0.0000 34241.5453 -149260.0312 299.0399 -183501.5765 -149158.5689 298.7569 -51.9491 -24.8689 558160.3739 7.3241 7.2366 PRESSURE: 4725000 -3.18388 14.9019 -80.8528 14.9014 -110.034 -55.6638 -80.8527 -55.6622 -160.808 GPRESSURE: 4725000 -21.3223 -5.03007 -47.7344 53.9919 -45.7507 -121.445 -86.4522 42.1421 -115.075 PRESSAVG: 4725000 -0.177707 -19.5493 -44.4553 -19.5494 16.809 -9.00297 -44.4554 -9.00292 7.31637 GPRESSAVG: 4725000 0.340821 -19.589 -43.7519 -19.9596 17.0398 -8.35107 -43.883 -10.0313 6.52828 TIMING: 4725000 CPU: 13730.6, 0.00289035/step Wall: 13730.6, 0.00289035/step, 0.22079 hours remaining, 207.816406 MB of memory in use. ENERGY: 4725000 726.5633 2049.1691 1962.2172 106.5695 -205884.2262 17752.4045 0.0000 0.0000 34055.8822 -149231.4204 297.4185 -183287.3026 -149136.1363 298.8168 -91.3421 -60.7161 559302.9094 7.9826 7.9696 PRESSURE: 4725200 -202.566 140.679 -140.433 140.678 41.9001 44.0261 -140.433 44.0252 -195.552 GPRESSURE: 4725200 -91.035 205.141 -156.146 160.983 4.08006 -31.7221 -140.829 90.0751 -162.196 PRESSAVG: 4725200 4.1805 -9.11863 35.4372 -9.11871 39.8939 -15.6107 35.4373 -15.6108 2.46099 GPRESSAVG: 4725200 4.27301 -10.1555 34.0771 -8.79979 39.7769 -17.0295 34.0436 -14.9094 3.02306 TIMING: 4725200 CPU: 13731.2, 0.00289778/step Wall: 13731.2, 0.00289778/step, 0.221197 hours remaining, 207.816406 MB of memory in use. ENERGY: 4725200 760.3591 2085.6560 1986.1960 113.8385 -206316.6089 17826.9037 0.0000 0.0000 34289.9858 -149253.6698 299.4630 -183543.6555 -149162.6980 298.8517 -118.7393 -83.0504 558771.3807 15.5118 15.6910 PRESSURE: 4725400 -217.621 21.9782 46.1268 21.9784 -145.406 116.042 46.1263 116.041 -236.453 GPRESSURE: 4725400 -138.257 97.7735 53.8546 -61.0278 -133.354 118.043 65.0862 157.233 -225.85 PRESSAVG: 4725400 -38.5668 -19.2005 4.89303 -19.2005 53.8526 -13.5883 4.89294 -13.5884 -19.3074 GPRESSAVG: 4725400 -39.0525 -19.5094 6.79741 -16.5117 53.1149 -11.5849 3.17387 -14.9341 -18.1702 TIMING: 4725400 CPU: 13731.8, 0.00290545/step Wall: 13731.8, 0.00290545/step, 0.221621 hours remaining, 207.816406 MB of memory in use. ENERGY: 4725400 740.9876 2041.0788 1963.8334 106.5033 -205698.6775 17439.0367 0.0000 0.0000 34183.7437 -149223.4941 298.5351 -183407.2378 -149128.8522 298.7554 -199.8268 -165.8205 558766.3120 -1.3405 -1.3693 PRESSURE: 4725600 255.163 -66.6187 77.4499 -66.6202 45.6365 82.7998 77.4488 82.8019 91.146 GPRESSURE: 4725600 281.39 44.32 68.4496 -183.214 70.1264 97.323 21.5172 59.8236 138.076 PRESSAVG: 4725600 14.1714 -21.0039 0.502329 -21.0039 -44.3303 40.8877 0.502325 40.8878 -9.41491 GPRESSAVG: 4725600 14.5658 -18.6631 0.271656 -24.128 -43.8992 38.9166 0.718275 41.4905 -10.4467 TIMING: 4725600 CPU: 13732.4, 0.00290769/step Wall: 13732.4, 0.00290769/step, 0.22163 hours remaining, 208.019531 MB of memory in use. ENERGY: 4725600 732.7828 2121.5742 1945.8986 113.9638 -205965.9426 17834.2928 0.0000 0.0000 34161.6693 -149055.7611 298.3424 -183217.4304 -148962.8162 299.4408 130.6487 163.1976 557388.4589 -13.1913 -13.2600 PRESSURE: 4725800 456.068 92.8595 25.0819 92.8586 233.423 101.515 25.0816 101.516 28.2634 GPRESSURE: 4725800 487.106 80.2462 -21.8795 112.071 239.722 72.8202 31.1975 130.156 109.293 PRESSAVG: 4725800 -17.6573 28.3406 -34.7403 28.3406 32.3206 8.10404 -34.7402 8.1042 24.6024 GPRESSAVG: 4725800 -18.5985 27.1163 -33.2269 29.3167 33.8802 8.55482 -34.0791 8.9773 23.8497 TIMING: 4725800 CPU: 13733, 0.00292438/step Wall: 13733, 0.00292438/step, 0.222741 hours remaining, 208.019531 MB of memory in use. ENERGY: 4725800 710.6412 2121.9121 1968.8536 98.2530 -206261.0579 18156.3607 0.0000 0.0000 34313.6796 -148891.3578 299.6699 -183205.0373 -148799.3551 300.2846 239.2516 278.7067 557472.2291 13.0886 13.0438 PRESSURE: 4726000 -110.276 35.8344 -55.7282 35.8346 38.2713 32.0324 -55.7286 32.0331 -65.0776 GPRESSURE: 4726000 -84.4311 20.0811 -18.0151 33.6178 87.6452 90.2326 -4.78138 34.6779 -55.2112 PRESSAVG: 4726000 -25.7837 -31.8334 -43.7984 -31.8333 38.2221 28.737 -43.7984 28.7369 -7.71981 GPRESSAVG: 4726000 -25.5247 -31.2151 -47.5245 -31.5185 36.5013 27.2876 -42.8017 28.9888 -6.55296 TIMING: 4726000 CPU: 13733.5, 0.00292539/step Wall: 13733.5, 0.00292539/step, 0.222654 hours remaining, 208.019531 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: 4726000 719.2570 2085.7145 1994.5595 112.1442 -205862.7989 17611.9775 0.0000 0.0000 34547.7183 -148791.4279 301.7138 -183339.1462 -148689.7158 300.9324 -45.6942 -17.3324 558548.3543 1.5729 1.4746 PRESSURE: 4726200 -11.911 -197.846 81.2607 -197.845 52.3357 -15.8928 81.2613 -15.8921 267.301 GPRESSURE: 4726200 10.1017 -152.308 111.469 -194.493 57.7515 -68.2814 7.6131 73.6263 324.043 PRESSAVG: 4726200 -26.5683 -10.859 18.3092 -10.859 71.7653 29.7323 18.3092 29.7323 19.6918 GPRESSAVG: 4726200 -25.4908 -11.2931 19.5365 -10.841 72.2924 32.8204 19.4847 27.81 18.0852 TIMING: 4726200 CPU: 13734.1, 0.00291643/step Wall: 13734.1, 0.00291643/step, 0.221811 hours remaining, 208.019531 MB of memory in use. ENERGY: 4726200 759.6994 2127.4007 1942.6311 112.6203 -206207.4674 18015.8758 0.0000 0.0000 34417.2688 -148831.9712 300.5746 -183249.2400 -148741.1675 300.4826 102.5753 130.6322 558968.5955 21.6296 21.6289 PRESSURE: 4726400 -217.699 4.81092 114.747 4.81116 -268.913 -146.41 114.746 -146.412 58.1699 GPRESSURE: 4726400 -141.271 10.0575 78.3524 -2.10597 -219.722 -174.829 194.539 -103.372 39.4809 PRESSAVG: 4726400 -53.8662 35.7443 -5.04321 35.7443 35.0335 19.3044 -5.0431 19.3044 -12.5379 GPRESSAVG: 4726400 -55.5074 36.0828 -4.61284 36.9051 34.9952 18.0283 -6.13741 21.7661 -11.1133 TIMING: 4726400 CPU: 13734.7, 0.00291693/step Wall: 13734.7, 0.00291693/step, 0.221687 hours remaining, 208.019531 MB of memory in use. ENERGY: 4726400 774.4735 2094.9845 1961.9554 110.9182 -206107.0447 17733.2765 0.0000 0.0000 34398.8998 -149032.5369 300.4141 -183431.4367 -148938.7530 300.3705 -142.8139 -107.1706 559483.8053 -10.4569 -10.5418 PRESSURE: 4726600 -67.4771 152.796 25.9938 152.796 14.4765 124.821 25.9927 124.82 221.251 GPRESSURE: 4726600 -15.7097 133.495 -117.599 145.905 65.6509 96.02 90.4065 55.883 218.656 PRESSAVG: 4726600 -92.7872 43.8783 14.4573 43.8784 0.375701 -10.6231 14.4574 -10.6231 58.5143 GPRESSAVG: 4726600 -91.5138 45.5095 13.5534 42.5092 -0.71489 -11.5741 12.5905 -12.5193 57.7344 TIMING: 4726600 CPU: 13735.3, 0.00290113/step Wall: 13735.3, 0.00290113/step, 0.220325 hours remaining, 208.019531 MB of memory in use. ENERGY: 4726600 759.4436 2067.3205 1963.3023 111.2588 -206230.8521 17956.0750 0.0000 0.0000 34305.1097 -149068.3422 299.5951 -183373.4519 -148978.4987 299.2825 56.0836 89.5323 558183.9908 -11.2991 -11.4981 PRESSURE: 4726800 -283.437 -47.1253 -63.9634 -47.1248 -266.161 -110.918 -63.9635 -110.916 -58.702 GPRESSURE: 4726800 -266.971 -22.9416 -35.5684 46.4258 -235.08 -72.6263 -85.3619 -156.621 -16.3113 PRESSAVG: 4726800 2.32385 -14.8524 -12.3187 -14.8525 -18.7583 -85.8712 -12.3188 -85.8711 10.9943 GPRESSAVG: 4726800 2.69459 -15.3118 -10.1731 -14.2097 -18.7537 -84.4217 -11.473 -87.058 10.4985 TIMING: 4726800 CPU: 13735.9, 0.00289606/step Wall: 13735.9, 0.00289606/step, 0.219779 hours remaining, 208.019531 MB of memory in use. ENERGY: 4726800 735.1554 2071.2605 1968.5584 118.0147 -205571.9064 17386.4038 0.0000 0.0000 34197.2187 -149095.2949 298.6528 -183292.5135 -148997.5354 299.4419 -202.7668 -172.7876 557967.2872 -1.8134 -1.8535 PRESSURE: 4727000 73.1726 -21.8611 -76.513 -21.8613 -318.062 -83.1596 -76.5137 -83.1594 95.0786 GPRESSURE: 4727000 74.1405 -33.7094 -111.435 -14.4211 -308.916 -8.68735 -51.5142 -68.4396 187.004 PRESSAVG: 4727000 -2.87796 -33.9547 32.5318 -33.9547 9.89973 -24.2252 32.5319 -24.2251 20.4447 GPRESSAVG: 4727000 -4.08621 -34.8893 31.0713 -34.837 10.2101 -25.4739 34.0176 -20.5864 20.9794 TIMING: 4727000 CPU: 13736.4, 0.00289308/step Wall: 13736.4, 0.00289308/step, 0.219392 hours remaining, 208.019531 MB of memory in use. ENERGY: 4727000 760.4542 2147.5069 1957.0966 108.9362 -206122.2980 17709.2209 0.0000 0.0000 34298.2924 -149140.7908 299.5355 -183439.0831 -149046.7649 299.4263 -49.9370 -15.9238 555543.3838 9.1555 9.0344 PRESSURE: 4727200 -184.791 -8.05313 90.8453 -8.05419 -109.645 128.29 90.845 128.287 -31.6308 GPRESSURE: 4727200 -180.976 -43.231 88.1507 27.3349 -25.4312 131.342 52.2856 74.6204 -37.8401 PRESSAVG: 4727200 42.4447 -30.7417 -8.35398 -30.7417 -45.7937 -13.7513 -8.35406 -13.7513 16.8157 GPRESSAVG: 4727200 43.8227 -30.2059 -8.87172 -30.374 -46.8126 -12.3522 -10.0318 -14.9891 16.1284 TIMING: 4727200 CPU: 13737, 0.00292074/step Wall: 13737, 0.00292074/step, 0.221327 hours remaining, 208.019531 MB of memory in use. ENERGY: 4727200 762.0010 2158.5343 1952.4125 116.5512 -205936.1285 17542.2988 0.0000 0.0000 34071.4606 -149332.8701 297.5545 -183404.3307 -149232.0263 299.2978 -108.6890 -81.4158 556486.3673 4.4889 4.3795 PRESSURE: 4727400 -248.558 -80.2585 -127.454 -80.2598 -113.187 -147.105 -127.453 -147.105 -200.808 GPRESSURE: 4727400 -165.239 -90.37 -38.0797 -72.1864 -97.2373 -165.161 -66.6641 -79.3117 -207.018 PRESSAVG: 4727400 35.1512 -40.9652 6.73387 -40.9652 -48.6484 -26.7161 6.73381 -26.7159 2.77311 GPRESSAVG: 4727400 33.7134 -40.0115 7.89329 -41.4625 -48.7431 -25.7719 6.31123 -28.3562 4.32332 TIMING: 4727400 CPU: 13737.6, 0.00291562/step Wall: 13737.6, 0.00291562/step, 0.220777 hours remaining, 208.019531 MB of memory in use. ENERGY: 4727400 753.2649 2122.6828 1979.8932 110.6317 -206104.9415 17693.1570 0.0000 0.0000 34014.4248 -149430.8870 297.0564 -183445.3118 -149343.7576 298.3704 -187.5178 -156.4980 558995.9139 -3.5747 -3.5688 PRESSURE: 4727600 71.5016 41.7901 102.061 41.7899 -8.51586 -29.9221 102.062 -29.9207 128.983 GPRESSURE: 4727600 131.479 -68.8172 33.5214 18.7536 31.5996 -67.0512 150.087 -29.1582 129 PRESSAVG: 4727600 2.78576 -38.272 6.56269 -38.272 -35.0163 -2.24035 6.56271 -2.24035 25.0698 GPRESSAVG: 4727600 3.3628 -40.4531 4.46961 -36.9566 -34.7889 -3.08403 9.34985 -3.30046 23.8953 TIMING: 4727600 CPU: 13738.2, 0.00292576/step Wall: 13738.2, 0.00292576/step, 0.221382 hours remaining, 208.019531 MB of memory in use. ENERGY: 4727600 739.9483 2110.4477 1950.0447 113.7742 -206588.4043 17992.1652 0.0000 0.0000 34219.2508 -149462.7733 298.8452 -183682.0241 -149362.9654 298.9015 63.9896 97.3595 556837.2893 -2.3869 -2.5103 PRESSURE: 4727800 -161.721 28.2139 82.5477 28.2144 -58.7203 -7.56684 82.5468 -7.5652 -179.601 GPRESSURE: 4727800 -131.47 -0.414953 71.3724 96.0577 8.9181 -16.2065 11.2763 -8.07542 -188.173 PRESSAVG: 4727800 -22.1091 -80.158 40.4393 -80.158 20.483 -33.7408 40.4394 -33.7408 27.5127 GPRESSAVG: 4727800 -22.9512 -78.1348 43.239 -81.6146 20.9745 -34.9493 39.3446 -29.6316 27.1363 TIMING: 4727800 CPU: 13738.8, 0.00292287/step Wall: 13738.8, 0.00292287/step, 0.221002 hours remaining, 208.019531 MB of memory in use. ENERGY: 4727800 738.7412 2154.8103 1953.2115 103.9831 -206092.8007 17554.6834 0.0000 0.0000 34159.1734 -149428.1978 298.3206 -183587.3712 -149336.6611 298.5861 -133.3474 -103.5751 558044.1183 8.6289 8.3865 PRESSURE: 4728000 -176.682 128.833 -29.9908 128.834 2.26753 -10.4915 -29.9912 -10.4914 271.4 GPRESSURE: 4728000 -140.057 111.724 5.30497 110.514 53.1365 -21.4536 -4.97745 19.9011 290.704 PRESSAVG: 4728000 -26.6668 25.6794 -34.7382 25.6794 -11.6818 18.2466 -34.7383 18.2466 36.5323 GPRESSAVG: 4728000 -27.2285 24.8499 -36.3198 25.0731 -12.7387 19.3172 -35.1941 15.361 38.1866 TIMING: 4728000 CPU: 13739.4, 0.00293181/step Wall: 13739.4, 0.00293181/step, 0.221515 hours remaining, 208.019531 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: 4728000 719.0807 2050.6311 1941.4218 117.5071 -206281.5071 17916.9947 0.0000 0.0000 34171.9359 -149363.9359 298.4320 -183535.8718 -149261.2119 299.2202 32.3286 67.9278 557049.5413 -0.6054 -0.5936 PRESSURE: 4728200 -229.921 -55.0504 112.171 -55.0495 -116.905 87.8222 112.171 87.822 -20.0486 GPRESSURE: 4728200 -293.523 55.9993 76.3918 -112.837 -31.1798 -17.6265 36.1657 45.048 44.6912 PRESSAVG: 4728200 8.81098 -15.6347 17.3333 -15.6348 -40.9967 42.0508 17.3332 42.0508 48.4986 GPRESSAVG: 4728200 9.12986 -16.1186 17.4097 -13.8614 -40.228 43.1337 18.8486 43.1987 47.4562 TIMING: 4728200 CPU: 13740, 0.00292914/step Wall: 13740, 0.00292914/step, 0.22115 hours remaining, 208.019531 MB of memory in use. ENERGY: 4728200 769.3345 2040.0966 1975.8944 117.3431 -206521.8728 17799.6392 0.0000 0.0000 34353.2013 -149466.3636 300.0151 -183819.5650 -149372.0945 299.1165 -122.2916 -93.3372 556069.9992 5.4376 5.4527 LDB: ============= START OF LOAD BALANCING ============== 13743.4 LDB: ============== END OF LOAD BALANCING =============== 13743.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13743.4 LDB: ============= START OF LOAD BALANCING ============== 13743.7 LDB: Largest compute 4848 load 0.030775 is 26.1% of average load 0.117818 LDB: Average compute 0.001733 is 1.5% of average load 0.117818 LDB: TIME 13743.7 LOAD: AVG 0.117818 MAX 0.183096 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.117 MB LDB: TIME 13743.7 LOAD: AVG 0.117818 MAX 0.183096 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: TIME 13743.7 LOAD: AVG 0.117818 MAX 0.183096 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13743.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13743.7 PRESSURE: 4728400 -84.9102 -151.812 -57.3748 -151.813 14.8067 2.53218 -57.3748 2.53395 -344.214 GPRESSURE: 4728400 -63.5764 -115.227 -84.1326 -221.449 29.846 -41.992 -33.3145 17.067 -275.02 PRESSAVG: 4728400 -42.1058 -32.3134 28.3557 -32.3134 -46.7957 -22.8039 28.3557 -22.8039 64.1053 GPRESSAVG: 4728400 -40.8344 -31.0713 29.3815 -32.9348 -47.5341 -22.9158 26.9677 -24.0053 63.7331 TIMING: 4728400 CPU: 13740.6, 0.00298689/step Wall: 13740.6, 0.00298689/step, 0.225344 hours remaining, 207.851562 MB of memory in use. ENERGY: 4728400 785.1912 2068.5495 1947.8973 108.8768 -205977.8665 17554.6595 0.0000 0.0000 34226.9262 -149285.7659 298.9123 -183512.6921 -149177.7026 299.0149 -138.1057 -102.9168 556976.3469 -8.2654 -8.2118 PRESSURE: 4728600 -331.756 65.1135 46.7423 65.1131 -347.358 -231.198 46.7403 -231.197 -225.914 GPRESSURE: 4728600 -353.874 57.4542 -45.9518 92.7346 -259.677 -205.801 99.1785 -236.075 -192.801 PRESSAVG: 4728600 -45.0571 -3.04091 -23.584 -3.04083 -10.5048 -17.8733 -23.584 -17.8733 65.1693 GPRESSAVG: 4728600 -45.8111 -3.73422 -25.195 -3.7637 -9.89693 -19.0027 -23.4848 -16.7363 64.9897 TIMING: 4728600 CPU: 13741.1, 0.00291609/step Wall: 13741.1, 0.00291609/step, 0.219841 hours remaining, 207.851562 MB of memory in use. ENERGY: 4728600 744.6806 2099.6461 1972.6058 116.0090 -205498.4259 17208.2697 0.0000 0.0000 34264.0306 -149093.1841 299.2363 -183357.2147 -148994.9465 298.8408 -301.6759 -268.7841 558676.0713 3.2025 3.0939 PRESSURE: 4728800 -40.0419 84.0643 47.7548 84.0646 36.7035 -193.381 47.7552 -193.382 -215.789 GPRESSURE: 4728800 25.9724 114.584 -7.8382 53.2894 74.6769 -176.928 -15.255 -189.147 -237.715 PRESSAVG: 4728800 -47.7572 -45.3409 30.6852 -45.3409 2.09736 -9.16074 30.6853 -9.16081 2.29711 GPRESSAVG: 4728800 -48.4288 -43.2524 32.5212 -47.217 3.1779 -8.94279 30.1369 -7.91728 1.58405 TIMING: 4728800 CPU: 13741.7, 0.0029009/step Wall: 13741.7, 0.0029009/step, 0.218534 hours remaining, 207.851562 MB of memory in use. ENERGY: 4728800 778.7876 2062.8082 1962.7194 131.9488 -205951.3424 17753.2778 0.0000 0.0000 34294.7441 -148967.0566 299.5045 -183261.8007 -148865.3668 300.3522 -73.0423 -45.6887 558403.1992 -14.4542 -14.5556 PRESSURE: 4729000 39.0534 -28.2626 -51.161 -28.2629 -123.118 2.8124 -51.1614 2.81451 -167.779 GPRESSURE: 4729000 80.001 61.6221 -67.5126 -48.8545 -108.211 25.8529 -1.1721 25.2079 -139.952 PRESSAVG: 4729000 22.2217 -20.3777 -37.3346 -20.3777 -8.4027 3.92171 -37.3347 3.92179 28.9757 GPRESSAVG: 4729000 22.6313 -20.9893 -37.1731 -20.5629 -8.97721 5.12608 -36.0411 2.77924 28.8198 TIMING: 4729000 CPU: 13742.3, 0.00291223/step Wall: 13742.3, 0.00291223/step, 0.219226 hours remaining, 207.851562 MB of memory in use. ENERGY: 4729000 758.6581 2118.0583 1947.2971 114.1806 -206139.0742 17812.1357 0.0000 0.0000 34330.8873 -149057.8572 299.8202 -183388.7444 -148968.2620 299.8894 -83.9479 -56.0540 558351.4064 14.2649 14.1580 PRESSURE: 4729200 -35.5034 174.656 -79.1975 174.657 24.9411 -86.4773 -79.1966 -86.4755 136.872 GPRESSURE: 4729200 -6.93296 178.728 18.8085 118.849 70.3364 -46.2679 -18.9764 -80.5633 144.762 PRESSAVG: 4729200 -26.461 42.7918 7.55937 42.7917 3.90893 -23.8876 7.55932 -23.8875 55.0715 GPRESSAVG: 4729200 -27.0694 40.5504 7.1129 44.4584 3.27845 -22.353 3.32355 -25.8419 56.4313 TIMING: 4729200 CPU: 13742.9, 0.00289043/step Wall: 13742.9, 0.00289043/step, 0.217425 hours remaining, 207.851562 MB of memory in use. ENERGY: 4729200 744.2213 2108.2890 1966.3451 118.5401 -206469.0678 17970.5346 0.0000 0.0000 34213.2350 -149347.9027 298.7927 -183561.1376 -149250.7457 299.7392 42.1031 69.3884 557959.4282 10.8398 10.8801 PRESSURE: 4729400 -306.815 -60.6077 2.92849 -60.6084 -157.511 -55.3246 2.92915 -55.3253 -288.938 GPRESSURE: 4729400 -340.534 -89.1608 62.9386 -79.8641 -82.7338 56.7177 -42.4981 -80.9768 -228.684 PRESSAVG: 4729400 31.7843 12.8638 24.5083 12.8638 2.37414 7.43126 24.5081 7.43144 -33.2606 GPRESSAVG: 4729400 32.4595 12.3898 24.4772 14.4355 2.63609 5.82957 27.0593 8.75348 -33.906 TIMING: 4729400 CPU: 13743.5, 0.00287581/step Wall: 13743.5, 0.00287581/step, 0.216165 hours remaining, 207.851562 MB of memory in use. ENERGY: 4729400 746.0432 2111.2461 1972.4505 113.8497 -206132.6173 17495.7094 0.0000 0.0000 34214.0267 -149479.2916 298.7996 -183693.3183 -149375.5011 298.9739 -251.0880 -217.3172 557714.8704 0.2993 0.3965 PRESSURE: 4729600 -64.0367 56.1941 122.684 56.1947 -197.37 51.8807 122.684 51.8809 -304.203 GPRESSURE: 4729600 -26.7009 29.0645 129.417 23.495 -133.745 2.98442 131.556 85.5829 -304.977 PRESSAVG: 4729600 -36.2095 -32.9025 -23.9395 -32.9026 52.6002 7.23434 -23.9395 7.23436 0.293994 GPRESSAVG: 4729600 -34.4079 -32.6129 -23.6586 -33.5844 50.9073 7.16005 -23.6092 9.70713 0.152719 TIMING: 4729600 CPU: 13744, 0.00287165/step Wall: 13744, 0.00287165/step, 0.215693 hours remaining, 207.851562 MB of memory in use. ENERGY: 4729600 754.8047 2038.0866 1966.1780 105.4907 -206066.7370 17635.5014 0.0000 0.0000 34317.4950 -149249.1807 299.7032 -183566.6757 -149151.7598 298.5401 -188.5367 -155.1410 557268.5967 5.5615 5.5507 PRESSURE: 4729800 297.139 55.3056 16.5297 55.3047 83.1398 -55.1228 16.53 -55.1213 71.5058 GPRESSURE: 4729800 283.683 154.306 21.6093 -32.4091 89.0757 -105.476 -3.17836 -139.866 175.772 PRESSAVG: 4729800 34.2134 -20.9552 -35.9833 -20.9551 21.8844 9.48275 -35.9832 9.48282 -54.4198 GPRESSAVG: 4729800 32.8099 -19.7479 -36.2933 -21.3915 22.6633 8.87211 -35.3902 9.12099 -53.8131 TIMING: 4729800 CPU: 13744.6, 0.00291701/step Wall: 13744.6, 0.00291701/step, 0.218938 hours remaining, 207.851562 MB of memory in use. ENERGY: 4729800 763.1207 2083.3463 1949.0081 112.4417 -206595.9464 18097.3327 0.0000 0.0000 34282.5582 -149308.1387 299.3981 -183590.6969 -149214.5982 298.5745 150.5949 182.8436 556259.3281 0.5593 0.5533 PRESSURE: 4730000 -94.1223 80.3345 62.6573 80.3353 354.001 47.3723 62.6567 47.372 71.521 GPRESSURE: 4730000 -43.9934 47.5813 -6.19227 67.335 366.607 30.2282 12.2443 17.3105 97.1023 PRESSAVG: 4730000 16.781 2.86697 45.9928 2.86696 34.0261 43.9064 45.9929 43.9062 -63.3721 GPRESSAVG: 4730000 17.1582 2.24803 45.5891 0.888334 34.5847 44.5011 47.0015 42.6588 -64.1733 TIMING: 4730000 CPU: 13745.2, 0.00289974/step Wall: 13745.2, 0.00289974/step, 0.217481 hours remaining, 207.851562 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: 4730000 758.1365 2134.1308 1958.3813 110.9473 -206546.1574 18109.4891 0.0000 0.0000 34090.7001 -149384.3722 297.7226 -183475.0724 -149298.6613 298.7799 110.4665 139.9051 557634.1104 -4.1883 -4.1435 PRESSURE: 4730200 -61.747 144.422 -59.0071 144.422 55.2951 -44.2298 -59.0066 -44.2299 -95.3756 GPRESSURE: 4730200 -47.5641 206.939 -113.67 131.673 64.0811 -78.8135 -89.6391 30.6964 -31.2725 PRESSAVG: 4730200 -4.60672 -29.6765 -44.0142 -29.6765 -17.7066 18.3187 -44.0142 18.3186 29.0148 GPRESSAVG: 4730200 -3.56465 -30.1675 -45.0408 -25.1831 -19.0986 18.8229 -44.3135 18.1109 29.4697 TIMING: 4730200 CPU: 13745.8, 0.00293256/step Wall: 13745.8, 0.00293256/step, 0.219779 hours remaining, 207.851562 MB of memory in use. ENERGY: 4730200 713.0700 2116.5369 1956.7604 124.2604 -206384.4404 17787.3044 0.0000 0.0000 34351.8605 -149334.6477 300.0033 -183686.5082 -149227.8741 298.3551 -33.9425 -4.9185 558100.2477 2.2338 2.2688 PRESSURE: 4730400 -46.7748 -83.6306 -55.4538 -83.6299 146.923 -10.458 -55.454 -10.4576 2.1349 GPRESSURE: 4730400 4.98886 -108.894 -57.8075 -150.027 125.016 -40.5943 -32.7161 34.0701 79.2497 PRESSAVG: 4730400 -7.56003 -39.0322 -7.21426 -39.0321 -45.8364 -49.5952 -7.21432 -49.5951 53.3509 GPRESSAVG: 4730400 -8.05609 -40.4756 -5.6383 -39.5898 -44.4283 -48.7704 -8.64191 -51.5107 52.5376 TIMING: 4730400 CPU: 13746.4, 0.00290077/step Wall: 13746.4, 0.00290077/step, 0.217235 hours remaining, 207.851562 MB of memory in use. ENERGY: 4730400 741.3925 2034.5429 1971.9797 117.1308 -206371.8222 17842.2467 0.0000 0.0000 34442.1357 -149222.3939 300.7917 -183664.5296 -149128.3342 299.2474 34.0943 69.7516 558233.5100 -0.0152 0.0178 PRESSURE: 4730600 -116.164 -37.4714 180.63 -37.472 142.61 -15.2052 180.63 -15.2045 -80.8847 GPRESSURE: 4730600 -106.77 -106.095 194.485 -15.8333 202.373 -16.6903 98.5233 -11.8091 -54.995 PRESSAVG: 4730600 -1.06955 -35.2989 3.85013 -35.2989 11.5261 -27.2802 3.85019 -27.2802 -24.8521 GPRESSAVG: 4730600 -1.91836 -34.8742 4.07584 -36.8798 11.1887 -28.3909 3.53984 -26.7762 -23.8403 TIMING: 4730600 CPU: 13746.9, 0.00292993/step Wall: 13746.9, 0.00292993/step, 0.219256 hours remaining, 207.851562 MB of memory in use. ENERGY: 4730600 737.1522 2044.7970 1981.4411 119.0615 -206517.7896 18024.6239 0.0000 0.0000 34425.2881 -149185.4257 300.6446 -183610.7138 -149088.2827 298.9620 -18.1464 13.5359 558809.9980 -4.7985 -4.8567 PRESSURE: 4730800 9.39623 37.9456 -134.204 37.9456 131.071 13.4773 -134.204 13.4781 135.686 GPRESSURE: 4730800 66.7661 -26.2635 -106.48 -34.8453 157.705 -46.2034 -172.39 60.5942 135.355 PRESSAVG: 4730800 14.1751 35.8157 2.04718 35.8157 47.2899 14.0525 2.04716 14.0524 -22.815 GPRESSAVG: 4730800 14.9521 39.2004 -1.19185 35.1535 46.9921 12.9677 4.51991 13.7432 -22.7361 TIMING: 4730800 CPU: 13747.5, 0.00293309/step Wall: 13747.5, 0.00293309/step, 0.21933 hours remaining, 207.851562 MB of memory in use. ENERGY: 4730800 725.1270 2104.4423 1968.9696 117.7056 -206214.4127 18039.9658 0.0000 0.0000 34035.5003 -149222.7020 297.2405 -183258.2024 -149122.5985 299.5181 92.0511 119.9422 557218.7725 12.8833 13.0694 PRESSURE: 4731000 -271.417 58.4835 -93.8802 58.4835 19.173 21.8602 -93.8788 21.8587 48.495 GPRESSURE: 4731000 -216.394 37.6838 -103.26 77.4024 39.2298 -14.9994 -93.9584 42.8267 72.3821 PRESSAVG: 4731000 -37.6808 18.9027 14.4093 18.9027 91.9975 19.0807 14.4093 19.0807 -43.9025 GPRESSAVG: 4731000 -37.7713 16.7451 16.3224 19.7101 91.3192 19.5791 13.284 20.7102 -43.4339 TIMING: 4731000 CPU: 13748.1, 0.00292926/step Wall: 13748.1, 0.00292926/step, 0.218881 hours remaining, 207.851562 MB of memory in use. ENERGY: 4731000 753.1210 2061.1269 1957.5448 100.1139 -206086.5659 17681.3626 0.0000 0.0000 34217.9171 -149315.3796 298.8336 -183533.2967 -149210.7633 298.8452 -67.9162 -34.9274 556435.8261 3.4714 3.3714 PRESSURE: 4731200 -19.2375 63.2899 -79.5036 63.2907 -0.358057 -304.897 -79.5055 -304.898 84.2474 GPRESSURE: 4731200 -35.6158 44.4453 -71.9952 41.1521 80.3377 -376.934 -30.9324 -204.662 99.352 PRESSAVG: 4731200 -0.75246 36.1557 -32.7071 36.1558 -16.7655 -67.4458 -32.707 -67.4457 69.3881 GPRESSAVG: 4731200 -0.151399 37.8127 -32.6447 35.7943 -15.4392 -68.215 -33.2871 -66.9873 67.8427 TIMING: 4731200 CPU: 13748.7, 0.0028979/step Wall: 13748.7, 0.0028979/step, 0.216376 hours remaining, 207.851562 MB of memory in use. ENERGY: 4731200 756.3427 2159.7949 1969.5262 113.3429 -206159.4168 17803.2698 0.0000 0.0000 34291.0320 -149066.1084 299.4721 -183357.1404 -148968.6003 299.2762 21.5506 48.0246 557215.5032 17.2901 17.4173 PRESSURE: 4731400 -197.585 145.343 80.0808 145.341 -163.7 -29.2921 80.0819 -29.2927 213.803 GPRESSURE: 4731400 -148.636 167.37 183.632 72.5838 -120.525 12.8478 -51.3263 -28.2934 226.891 PRESSAVG: 4731400 -62.5315 5.13585 -47.2214 5.13598 56.0113 -15.9669 -47.2215 -15.9669 53.1638 GPRESSAVG: 4731400 -61.8015 3.73347 -48.1754 6.04234 55.1592 -13.235 -45.4313 -17.0743 53.6953 TIMING: 4731400 CPU: 13749.3, 0.0028918/step Wall: 13749.3, 0.0028918/step, 0.21576 hours remaining, 207.851562 MB of memory in use. ENERGY: 4731400 750.7605 2060.6349 1969.0152 120.3678 -205964.0220 17738.3607 0.0000 0.0000 33981.6450 -149343.2379 296.7702 -183324.8829 -149248.5879 299.1043 -49.1603 -14.0903 556724.0353 15.5478 15.6843 PRESSURE: 4731600 -61.3945 180.482 -70.1562 180.481 -150.847 -63.3244 -70.1567 -63.3246 -189.466 GPRESSURE: 4731600 -39.8717 98.6659 -163.995 259.704 -77.3298 15.1051 -36.9639 -110.454 -194.078 PRESSAVG: 4731600 21.3495 7.44558 10.5119 7.4456 23.5964 -26.2444 10.5119 -26.2444 -30.7593 GPRESSAVG: 4731600 20.7562 8.26094 10.995 7.12946 22.5334 -28.3134 7.82966 -26.0446 -29.4941 TIMING: 4731600 CPU: 13749.8, 0.00287698/step Wall: 13749.8, 0.00287698/step, 0.214495 hours remaining, 208.054688 MB of memory in use. ENERGY: 4731600 746.7954 2119.1533 1950.7732 111.0079 -206511.2517 17823.0099 0.0000 0.0000 34329.1231 -149431.3888 299.8048 -183760.5119 -149332.2165 298.1458 -133.9024 -103.7599 556682.1839 4.7289 4.5985 PRESSURE: 4731800 -248.541 -173.832 -92.4453 -173.833 121.13 -88.3997 -92.4449 -88.4004 -130.318 GPRESSURE: 4731800 -172.399 -186.973 -147.493 -197.569 119.915 -87.1269 -115.836 -125.583 -93.1221 PRESSAVG: 4731800 34.5611 23.8194 -10.2793 23.8193 -46.8992 -3.66171 -10.2795 -3.66169 28.2036 GPRESSAVG: 4731800 35.2871 23.8724 -9.92587 23.506 -46.1847 -3.4437 -8.63222 -5.22843 26.8995 TIMING: 4731800 CPU: 13750.4, 0.00291163/step Wall: 13750.4, 0.00291163/step, 0.216916 hours remaining, 208.054688 MB of memory in use. ENERGY: 4731800 750.5044 2025.8695 1948.5494 116.0263 -206096.4975 17717.9834 0.0000 0.0000 33928.3743 -149609.1902 296.3049 -183537.5645 -149510.3636 297.9970 -85.9099 -48.5354 557655.3234 5.2885 5.3340 PRESSURE: 4732000 -175.443 38.3876 -78.1502 38.3874 38.2356 90.3082 -78.1497 90.3073 -12.9193 GPRESSURE: 4732000 -224.237 31.2758 -80.5628 36.5691 94.2448 6.59142 -186.936 94.2261 87.9634 PRESSAVG: 4732000 -22.5719 -50.5762 -69.7601 -50.5763 -25.7363 5.14464 -69.76 5.14466 73.4787 GPRESSAVG: 4732000 -21.5599 -50.2992 -69.364 -51.0333 -26.4325 6.40025 -71.3842 4.23718 72.6892 TIMING: 4732000 CPU: 13751, 0.00288991/step Wall: 13751, 0.00288991/step, 0.215138 hours remaining, 208.054688 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: 4732000 724.3681 1984.0778 1990.6255 110.6462 -205907.4795 17662.7148 0.0000 0.0000 33951.6471 -149483.3999 296.5082 -183435.0470 -149384.5339 297.9498 -50.0422 -14.0096 557657.0674 8.3902 8.2323 PRESSURE: 4732200 61.6408 134.73 24.2717 134.73 70.0686 0.609038 24.272 0.60937 -23.6122 GPRESSURE: 4732200 171.452 135.338 21.3899 114.197 51.5683 23.0546 39.0843 35.2073 -19.0093 PRESSAVG: 4732200 9.84355 5.11349 -10.5568 5.11356 -5.47181 38.5299 -10.5568 38.53 -43.97 GPRESSAVG: 4732200 7.6131 2.24277 -10.3774 7.25405 -5.46467 37.3272 -9.71514 38.9011 -42.4593 TIMING: 4732200 CPU: 13751.6, 0.00291077/step Wall: 13751.6, 0.00291077/step, 0.216529 hours remaining, 208.257812 MB of memory in use. ENERGY: 4732200 747.7530 2096.5027 1966.3290 106.3239 -206615.8635 18114.4429 0.0000 0.0000 34172.4990 -149412.0129 298.4369 -183584.5120 -149315.0555 298.3845 36.0324 68.0036 558583.1076 -13.1994 -13.4369 LDB: ============= START OF LOAD BALANCING ============== 13755.1 LDB: ============== END OF LOAD BALANCING =============== 13755.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13755.1 LDB: ============= START OF LOAD BALANCING ============== 13755.4 LDB: Largest compute 4848 load 0.030901 is 26.2% of average load 0.117905 LDB: Average compute 0.001732 is 1.5% of average load 0.117905 LDB: TIME 13755.4 LOAD: AVG 0.117905 MAX 0.180345 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.223 MB LDB: TIME 13755.4 LOAD: AVG 0.117905 MAX 0.180345 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: TIME 13755.4 LOAD: AVG 0.117905 MAX 0.180345 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13755.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13755.4 PRESSURE: 4732400 -136.281 107.75 -110.357 107.75 273.474 101.775 -110.357 101.775 -38.1274 GPRESSURE: 4732400 -111.059 49.2767 -80.8298 108.404 291.813 132.251 -56.7384 43.7742 8.79458 PRESSAVG: 4732400 -44.6365 -12.4642 -44.2118 -12.4643 68.102 26.6563 -44.2118 26.6563 9.96037 GPRESSAVG: 4732400 -44.9192 -10.7133 -45.1235 -13.2908 68.3843 25.9487 -44.1611 26.9883 10.0023 TIMING: 4732400 CPU: 13752.2, 0.00297186/step Wall: 13752.2, 0.00297186/step, 0.220909 hours remaining, 206.769531 MB of memory in use. ENERGY: 4732400 721.1372 2106.1628 1980.0379 112.8859 -206546.9252 18013.9177 0.0000 0.0000 34126.9404 -149485.8434 298.0391 -183612.7837 -149390.4785 298.3858 33.0219 63.1828 557673.5261 11.1420 11.1558 PRESSURE: 4732600 251.052 -126.889 124.464 -126.888 60.9598 -133.822 124.464 -133.825 23.9608 GPRESSURE: 4732600 226.21 -236.915 108.877 -28.3282 72.1812 -162.212 84.9534 -163.312 125.31 PRESSAVG: 4732600 22.7387 30.2379 45.2284 30.2378 36.2228 29.8216 45.2284 29.8216 -26.0807 GPRESSAVG: 4732600 22.5694 27.7384 44.9894 31.5494 35.773 31.355 43.0868 30.4972 -25.3657 TIMING: 4732600 CPU: 13752.8, 0.00288673/step Wall: 13752.8, 0.00288673/step, 0.21442 hours remaining, 206.769531 MB of memory in use. ENERGY: 4732600 737.3963 2119.0000 1979.8937 117.0115 -206470.3647 17990.7063 0.0000 0.0000 34066.1574 -149460.1994 297.5082 -183526.3569 -149365.1827 298.6993 111.9910 141.2338 557677.7888 10.9603 10.9922 PRESSURE: 4732800 -173.84 42.5989 101.715 42.5989 -248.89 -1.53793 101.716 -1.53705 -378.043 GPRESSURE: 4732800 -126.753 -8.01578 68.9803 -68.0976 -208.6 65.9403 52.2186 19.825 -376.924 PRESSAVG: 4732800 -30.9294 -9.51931 18.9083 -9.51939 -17.3011 -12.3627 18.9083 -12.3627 -5.33664 GPRESSAVG: 4732800 -30.5357 -6.27387 18.8804 -12.2964 -16.0534 -13.4544 19.7995 -11.6743 -6.82172 TIMING: 4732800 CPU: 13753.3, 0.00289594/step Wall: 13753.3, 0.00289595/step, 0.214943 hours remaining, 206.769531 MB of memory in use. ENERGY: 4732800 785.7489 2124.7424 1954.5100 119.6450 -205994.5862 17600.4012 0.0000 0.0000 34032.9131 -149376.6256 297.2179 -183409.5387 -149282.4752 298.6661 -266.9241 -237.4259 557954.8736 -17.8557 -17.8036 PRESSURE: 4733000 94.0004 85.4542 43.4753 85.4536 157.136 -65.1741 43.4742 -65.1745 -188.378 GPRESSURE: 4733000 138.414 77.7393 84.3947 47.1212 252.671 -36.6609 87.785 -17.4699 -216.077 PRESSAVG: 4733000 79.0067 -6.96467 -1.47306 -6.96464 30.1422 49.425 -1.47318 49.425 -55.4094 GPRESSAVG: 4733000 78.802 -6.57668 -0.192489 -7.02933 29.685 50.1264 -0.877275 49.0535 -54.26 TIMING: 4733000 CPU: 13753.9, 0.00290777/step Wall: 13753.9, 0.00290777/step, 0.21566 hours remaining, 206.769531 MB of memory in use. ENERGY: 4733000 726.2870 2120.1273 1981.2761 113.3994 -206856.6480 18141.0205 0.0000 0.0000 34357.7218 -149416.8159 300.0545 -183774.5377 -149316.7548 298.9053 20.9193 58.3357 558489.1747 17.9132 18.0757 PRESSURE: 4733200 -146.025 -126.053 -49.4331 -126.052 34.3824 -42.9557 -49.4341 -42.9551 -114.717 GPRESSURE: 4733200 -136.603 -107.267 0.350919 -108.183 34.0603 63.0478 -82.0444 -51.3128 -27.0616 PRESSAVG: 4733200 -22.1127 17.571 -15.1284 17.5711 13.775 -33.8597 -15.1284 -33.8597 23.4508 GPRESSAVG: 4733200 -21.0685 15.0466 -14.5221 19.1319 13.7535 -33.8943 -15.851 -34.8434 21.8291 TIMING: 4733200 CPU: 13754.5, 0.00293632/step Wall: 13754.5, 0.00293632/step, 0.217614 hours remaining, 206.769531 MB of memory in use. ENERGY: 4733200 743.4243 2128.6225 1999.8260 120.1792 -206639.5858 17908.3878 0.0000 0.0000 34458.8087 -149280.3372 300.9373 -183739.1459 -149185.5007 298.8613 -75.4532 -43.2014 559112.7153 5.0377 4.8380 PRESSURE: 4733400 302.978 -10.1735 114.876 -10.1743 218.506 113.009 114.876 113.01 215.466 GPRESSURE: 4733400 351.74 6.1817 92.7589 -41.6587 226.073 123.865 79.8438 222.875 252.289 PRESSAVG: 4733400 -54.1763 37.127 6.10235 37.127 -44.6396 15.6858 6.10229 15.6857 59.8266 GPRESSAVG: 4733400 -54.0838 39.1533 5.04812 37.4096 -45.2273 16.3044 6.52692 17.1805 60.7751 TIMING: 4733400 CPU: 13755.1, 0.0029252/step Wall: 13755.1, 0.0029252/step, 0.216628 hours remaining, 206.769531 MB of memory in use. ENERGY: 4733400 755.9287 2058.2991 1963.8442 117.5907 -206930.5814 18268.3729 0.0000 0.0000 34482.5980 -149283.9478 301.1451 -183766.5458 -149186.2266 299.3930 245.6503 276.7008 556597.1956 -12.9964 -12.8453 PRESSURE: 4733600 -33.8765 -99.7235 -87.3061 -99.7225 -91.7524 -153.865 -87.306 -153.864 -98.621 GPRESSURE: 4733600 -35.1203 -105.052 -46.7339 -73.3344 -34.5652 -220.282 -63.9267 -145.383 -59.2118 PRESSAVG: 4733600 -45.6549 3.99116 35.3839 3.99118 20.0927 13.591 35.3841 13.5911 25.8523 GPRESSAVG: 4733600 -46.954 2.20462 37.2395 4.88021 20.6907 15.1486 34.3261 10.7807 26.7588 TIMING: 4733600 CPU: 13755.7, 0.00292754/step Wall: 13755.7, 0.00292754/step, 0.216638 hours remaining, 206.972656 MB of memory in use. ENERGY: 4733600 761.1799 2042.0551 1960.1821 111.6563 -206251.6828 17893.5943 0.0000 0.0000 34283.0282 -149199.9867 299.4022 -183483.0149 -149112.0134 299.2236 -74.7500 -42.9658 558911.0258 0.0967 0.1652 PRESSURE: 4733800 84.9502 -209.129 -282.369 -209.129 171.39 -127.265 -282.369 -127.265 -250.077 GPRESSURE: 4733800 80.0961 -157.993 -331.347 -206.47 211.519 -134.274 -250.475 -188.316 -196.137 PRESSAVG: 4733800 -18.0405 -6.34416 40.6536 -6.3441 37.3 -21.4768 40.6536 -21.4769 -22.908 GPRESSAVG: 4733800 -17.4108 -5.22288 38.7638 -8.08764 36.8837 -23.4703 40.1202 -19.7991 -23.0797 TIMING: 4733800 CPU: 13756.3, 0.00292015/step Wall: 13756.3, 0.00292015/step, 0.215929 hours remaining, 206.972656 MB of memory in use. ENERGY: 4733800 780.1638 2058.9269 1961.2405 106.5569 -206281.1224 18059.9496 0.0000 0.0000 34133.1114 -149181.1733 298.0930 -183314.2847 -149079.8567 299.5265 2.0878 31.8260 559163.7628 -1.2162 -1.2023 PRESSURE: 4734000 -40.032 209.38 17.0124 209.379 51.5593 -79.8935 17.0126 -79.8924 50.0927 GPRESSURE: 4734000 5.88336 197.521 94.9503 210.826 91.9094 -106.782 -69.6939 -54.9249 58.6999 PRESSAVG: 4734000 -30.6014 -31.0587 -41.7836 -31.0587 41.2481 3.59859 -41.7837 3.5986 -28.6504 GPRESSAVG: 4734000 -30.6655 -29.9349 -43.7781 -31.9193 41.8967 4.1734 -37.5291 2.28881 -29.2692 TIMING: 4734000 CPU: 13756.8, 0.00289401/step Wall: 13756.8, 0.00289401/step, 0.213835 hours remaining, 206.972656 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: 4734000 766.2109 2083.1480 1935.7861 119.0027 -206344.8009 17911.7638 0.0000 0.0000 34161.8464 -149367.0430 298.3439 -183528.8895 -149268.8536 298.7295 20.5400 52.1642 558179.1614 -6.0012 -6.0127 PRESSURE: 4734200 68.2028 127.772 -7.49854 127.773 -47.4016 -196.793 -7.49877 -196.792 -23.1737 GPRESSURE: 4734200 44.5051 126.244 -15.1407 95.9372 31.3793 -180.995 0.700106 -136.773 21.3918 PRESSAVG: 4734200 -17.284 7.20007 -6.32751 7.20004 52.1594 -49.2052 -6.32749 -49.2051 -73.3696 GPRESSAVG: 4734200 -18.7413 5.846 -4.80395 7.39818 52.7377 -49.7697 -10.2121 -48.3285 -72.5912 TIMING: 4734200 CPU: 13757.4, 0.00289067/step Wall: 13757.4, 0.00289067/step, 0.213428 hours remaining, 206.972656 MB of memory in use. ENERGY: 4734200 761.2506 2021.7904 1958.0074 105.7997 -206231.9525 17831.6052 0.0000 0.0000 34290.7334 -149262.7658 299.4695 -183553.4992 -149162.0702 298.8278 -0.7908 32.4254 557590.9377 -12.8314 -12.8650 PRESSURE: 4734400 -160.753 39.917 13.3195 39.9167 -279.689 -47.247 13.3193 -47.2462 -51.3764 GPRESSURE: 4734400 -143.865 42.1781 66.4706 -22.2974 -237.388 -34.8898 -23.8748 -23.3397 -15.4512 PRESSAVG: 4734400 -2.52066 32.9626 9.15129 32.9625 -2.84236 -15.3705 9.15127 -15.3704 25.9933 GPRESSAVG: 4734400 -2.18139 34.1297 9.00669 32.4325 -3.44197 -17.4358 9.07336 -13.8511 25.8902 TIMING: 4734400 CPU: 13758, 0.00289902/step Wall: 13758, 0.00289902/step, 0.213884 hours remaining, 206.972656 MB of memory in use. ENERGY: 4734400 742.8252 2065.9989 1945.0238 111.9262 -206249.6711 17742.8396 0.0000 0.0000 34177.1789 -149463.8785 298.4778 -183641.0574 -149368.6715 298.9074 -163.9393 -132.2347 558580.4322 6.8768 6.7556 PRESSURE: 4734600 -60.8982 53.3898 -22.1633 53.3906 -6.96859 70.3067 -22.1639 70.3071 169.716 GPRESSURE: 4734600 -27.6202 91.6639 -16.4236 40.0776 1.82433 56.5834 4.19388 49.0884 232.696 PRESSAVG: 4734600 18.8008 36.7022 47.528 36.7021 -99.003 7.99801 47.528 7.99789 -34.2593 GPRESSAVG: 4734600 18.343 35.1822 46.828 37.7176 -97.5134 10.8342 48.5311 5.39499 -34.9245 TIMING: 4734600 CPU: 13758.6, 0.00289917/step Wall: 13758.6, 0.00289917/step, 0.213733 hours remaining, 206.972656 MB of memory in use. ENERGY: 4734600 758.7172 2045.7578 1977.3135 114.5408 -206205.7079 18078.4902 0.0000 0.0000 33963.9038 -149266.9846 296.6152 -183230.8884 -149175.7205 298.6059 33.9499 68.9666 558207.0277 -38.1538 -38.0317 PRESSURE: 4734800 222.753 53.1692 14.093 53.169 191.324 137.804 14.0934 137.805 26.7479 GPRESSURE: 4734800 246.771 54.7513 77.0284 33.0106 219.645 35.7141 -93.171 161.913 70.8014 PRESSAVG: 4734800 20.3442 -13.859 23.4542 -13.8589 80.2245 16.882 23.4541 16.882 -26.6383 GPRESSAVG: 4734800 21.3915 -12.8479 25.8672 -14.4234 79.7713 16.5874 23.5487 17.7764 -27.4194 TIMING: 4734800 CPU: 13759.2, 0.00291079/step Wall: 13759.2, 0.00291079/step, 0.214428 hours remaining, 206.972656 MB of memory in use. ENERGY: 4734800 739.4367 2030.7814 1954.2200 109.6345 -206637.7175 18218.0300 0.0000 0.0000 34318.2731 -149267.3418 299.7100 -183585.6149 -149173.0493 299.5520 146.9414 179.0727 557490.6047 24.6435 24.5811 PRESSURE: 4735000 -18.1625 -78.1756 -231.612 -78.1755 228.141 -92.4951 -231.613 -92.4943 -195.851 GPRESSURE: 4735000 25.604 -6.78727 -339.681 -123.527 239.177 -156.321 -153.711 -18.8469 -168.205 PRESSAVG: 4735000 -61.8017 -52.4677 -11.0958 -52.4676 -1.63442 -17.0387 -11.0957 -17.0387 53.2976 GPRESSAVG: 4735000 -61.9464 -53.8893 -11.4225 -50.0044 -1.44134 -18.7658 -11.1188 -17.4554 53.197 TIMING: 4735000 CPU: 13759.7, 0.00289954/step Wall: 13759.7, 0.00289954/step, 0.213438 hours remaining, 206.972656 MB of memory in use. ENERGY: 4735000 752.1423 2033.4453 1960.3122 99.8624 -206348.0601 17933.5482 0.0000 0.0000 34181.1677 -149387.5820 298.5126 -183568.7497 -149292.6364 299.0227 4.7090 32.1920 558701.3988 -3.3795 -3.3969 PRESSURE: 4735200 253.326 0.3948 115.749 0.394938 332.981 -14.1259 115.749 -14.1261 191.897 GPRESSURE: 4735200 328.383 -47.5607 92.7893 -31.3408 392.575 27.4568 140.562 -85.1479 164.289 PRESSAVG: 4735200 42.7448 -39.4674 -26.165 -39.4675 -12.2125 1.30433 -26.165 1.30428 -13.6638 GPRESSAVG: 4735200 42.2856 -38.2688 -25.5044 -41.9452 -11.5264 2.19477 -28.1536 1.69751 -13.4555 TIMING: 4735200 CPU: 13760.3, 0.00289949/step Wall: 13760.3, 0.00289949/step, 0.213274 hours remaining, 206.972656 MB of memory in use. ENERGY: 4735200 725.5040 2078.8228 1957.3749 107.4289 -206785.3513 18296.4600 0.0000 0.0000 34202.4924 -149417.2683 298.6989 -183619.7606 -149317.4330 298.7862 259.4016 295.0821 557845.0198 5.6228 5.7679 PRESSURE: 4735400 104.601 -66.975 -50.1807 -66.974 -154.555 -30.9866 -50.1802 -30.9881 22.7446 GPRESSURE: 4735400 90.0555 -74.9885 -129.396 -18.0943 -79.0456 -118.532 -69.8919 -18.2477 55.5041 PRESSAVG: 4735400 22.1612 -49.4532 10.8892 -49.4532 -46.4725 26.6387 10.8892 26.6385 29.0078 GPRESSAVG: 4735400 22.6644 -49.2964 10.2432 -52.2482 -48.1057 26.0716 12.1351 26.0436 29.2999 TIMING: 4735400 CPU: 13760.9, 0.00290746/step Wall: 13760.9, 0.00290746/step, 0.213698 hours remaining, 206.972656 MB of memory in use. ENERGY: 4735400 764.6100 2066.0665 1952.8176 113.3710 -206351.8747 17930.8392 0.0000 0.0000 34144.4598 -149379.7106 298.1921 -183524.1704 -149284.2977 298.8868 -9.0699 22.1713 558337.0017 1.5655 1.2862 PRESSURE: 4735600 -143.755 53.1582 31.4898 53.1576 -58.2169 6.3851 31.4899 6.38503 -81.6718 GPRESSURE: 4735600 -170.327 41.4268 113.622 49.8332 35.7924 71.7793 14.0186 -33.2409 -63.0632 PRESSAVG: 4735600 9.11874 57.4168 -8.85055 57.4169 31.4402 23.3114 -8.85048 23.3113 -43.2502 GPRESSAVG: 4735600 9.50821 54.9818 -8.49904 60.5767 31.7665 22.3224 -10.1905 25.8087 -43.5664 TIMING: 4735600 CPU: 13761.5, 0.00291886/step Wall: 13761.5, 0.00291886/step, 0.214374 hours remaining, 206.972656 MB of memory in use. ENERGY: 4735600 736.4863 2122.0880 1943.4903 110.4376 -206214.1997 17683.7830 0.0000 0.0000 34298.6666 -149319.2478 299.5388 -183617.9145 -149228.7462 299.0035 -94.5477 -65.8660 557398.4364 -0.8971 -0.7639 PRESSURE: 4735800 -260.26 61.7408 -5.90421 61.7395 -154.367 -106.773 -5.90379 -106.771 -163.419 GPRESSURE: 4735800 -177.474 15.8222 26.7442 156.48 -79.2941 -70.1411 -82.8553 -39.5526 -216.241 PRESSAVG: 4735800 -1.42076 49.9792 -13.1488 49.9791 17.8139 -0.788959 -13.1489 -0.78888 -38.6306 GPRESSAVG: 4735800 0.0535587 48.7772 -14.6234 51.0914 17.1118 0.952419 -11.5751 -2.21659 -39.1721 TIMING: 4735800 CPU: 13762.1, 0.0029188/step Wall: 13762.1, 0.00291879/step, 0.214207 hours remaining, 206.972656 MB of memory in use. ENERGY: 4735800 744.6568 2055.2686 1960.3749 109.2987 -206271.8168 17692.5620 0.0000 0.0000 34558.1135 -149151.5423 301.8046 -183709.6558 -149048.3282 299.7690 -192.6819 -157.6698 558784.0042 -7.4125 -7.3356 PRESSURE: 4736000 -57.4291 101.812 65.8921 101.812 91.0223 -66.7864 65.8909 -66.7873 -1.26679 GPRESSURE: 4736000 -15.027 75.2844 7.90405 163.498 55.0871 2.16432 67.4637 -11.4566 85.3173 PRESSAVG: 4736000 -30.0512 31.8606 17.3949 31.8605 61.6735 -26.6317 17.395 -26.6317 4.4548 GPRESSAVG: 4736000 -32.8223 33.8953 16.4088 30.5967 63.4816 -25.5144 17.7278 -25.7257 5.4548 TIMING: 4736000 CPU: 13762.7, 0.00291845/step Wall: 13762.7, 0.00291845/step, 0.21402 hours remaining, 206.972656 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: 4736000 739.1561 2078.9377 1974.4305 112.8034 -205902.7491 17724.2688 0.0000 0.0000 33998.2572 -149274.8954 296.9152 -183273.1526 -149182.9191 299.5033 10.7755 41.7924 558769.5321 12.0257 12.0380 PRESSURE: 4736200 14.315 11.9269 147.139 11.9276 -101.409 149 147.137 148.999 -294.401 GPRESSURE: 4736200 -8.77243 61.3868 125.6 -124.82 -61.0598 171.843 159.902 163.736 -207.046 PRESSAVG: 4736200 29.133 0.86125 12.9732 0.86132 -15.5999 53.1138 12.9733 53.1138 -69.4201 GPRESSAVG: 4736200 29.1925 1.53895 14.718 -0.690476 -15.2472 51.9846 12.104 54.1394 -69.9543 TIMING: 4736200 CPU: 13763.2, 0.00291993/step Wall: 13763.2, 0.00291993/step, 0.213966 hours remaining, 206.972656 MB of memory in use. ENERGY: 4736200 724.9562 2076.6747 1954.4280 119.2927 -205968.8102 17601.2527 0.0000 0.0000 34081.5169 -149410.6890 297.6424 -183492.2059 -149310.4805 297.8558 -127.1650 -92.2926 558632.4462 -18.6290 -18.6697 LDB: ============= START OF LOAD BALANCING ============== 13766.7 LDB: ============== END OF LOAD BALANCING =============== 13766.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13766.7 LDB: ============= START OF LOAD BALANCING ============== 13767 LDB: Largest compute 4848 load 0.030443 is 25.8% of average load 0.117853 LDB: Average compute 0.001732 is 1.5% of average load 0.117853 LDB: TIME 13767 LOAD: AVG 0.117853 MAX 0.179777 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.559 MB LDB: TIME 13767 LOAD: AVG 0.117853 MAX 0.179777 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: TIME 13767 LOAD: AVG 0.117853 MAX 0.179777 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.559 MB LDB: ============== END OF LOAD BALANCING =============== 13767 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13767 PRESSURE: 4736400 116.702 -32.789 -24.7341 -32.7885 111.822 -59.4558 -24.7343 -59.4561 -147.791 GPRESSURE: 4736400 144.307 -38.5502 107.75 -96.0139 141.071 -113.45 -65.149 -113.09 -113.259 PRESSAVG: 4736400 9.41293 50.0399 62.5518 50.0399 -1.84745 15.611 62.5518 15.6111 -15.1817 GPRESSAVG: 4736400 9.86105 49.1868 62.1963 52.323 -2.29406 14.3185 62.4263 14.2466 -14.4791 TIMING: 4736400 CPU: 13763.8, 0.00299705/step Wall: 13763.8, 0.00299706/step, 0.219451 hours remaining, 207.097656 MB of memory in use. ENERGY: 4736400 739.6759 2082.3638 1963.8181 112.0839 -206202.9034 17848.3562 0.0000 0.0000 34226.4230 -149230.1824 298.9079 -183456.6054 -149138.1556 298.5035 26.9107 57.3729 557180.3075 -2.5387 -2.3041 PRESSURE: 4736600 -36.5525 13.1812 -49.7208 13.1816 -188.925 113.516 -49.7208 113.516 -217.019 GPRESSURE: 4736600 -6.63633 -29.3691 -108.601 116.708 -125.456 148.034 26.7563 37.6005 -203.185 PRESSAVG: 4736600 -9.7818 14.0891 -36.8949 14.0892 39.5293 -51.8417 -36.8948 -51.8417 16.7545 GPRESSAVG: 4736600 -7.32935 14.6408 -36.9152 14.2104 38.6192 -52.0392 -37.5576 -51.3244 15.6119 TIMING: 4736600 CPU: 13764.4, 0.00292656/step Wall: 13764.4, 0.00292656/step, 0.214127 hours remaining, 207.300781 MB of memory in use. ENERGY: 4736600 762.4906 2044.3439 1986.3968 115.0987 -206043.4715 17793.7373 0.0000 0.0000 34233.7333 -149107.6709 298.9717 -183341.4042 -149011.9547 298.9844 -147.4990 -111.7589 559101.0445 15.5007 15.6339 PRESSURE: 4736800 85.3026 11.6344 26.9948 11.6344 -203.825 74.2787 26.9937 74.2787 -92.7431 GPRESSURE: 4736800 108.419 39.23 77.2444 -80.5035 -166.555 48.7873 -42.0725 78.5218 -44.6293 PRESSAVG: 4736800 29.3169 19.4613 55.2714 19.4613 -23.8364 20.724 55.2715 20.724 -35.7031 GPRESSAVG: 4736800 27.3682 18.0999 56.2863 17.4127 -21.852 21.9088 54.8375 21.6687 -36.1877 TIMING: 4736800 CPU: 13765, 0.00290795/step Wall: 13765, 0.00290795/step, 0.212603 hours remaining, 207.300781 MB of memory in use. ENERGY: 4736800 759.2041 2074.1214 1961.6760 119.4961 -206155.5945 17901.7758 0.0000 0.0000 34077.2897 -149262.0314 297.6054 -183339.3211 -149159.1212 299.0996 -70.4219 -34.2553 558764.8852 -10.0742 -10.2238 PRESSURE: 4737000 56.3054 -63.9853 -102.34 -63.9866 -74.4326 179.04 -102.341 179.04 -102.719 GPRESSURE: 4737000 58.0936 -22.9243 -107.65 -63.6474 -1.42543 187.703 -70.1215 107.15 -89.9919 PRESSAVG: 4737000 13.2175 17.8787 -25.387 17.8787 6.80527 14.9108 -25.3869 14.9107 -23.066 GPRESSAVG: 4737000 12.9908 17.5326 -25.9693 20.3439 5.85623 15.4287 -24.2355 13.2056 -22.4159 TIMING: 4737000 CPU: 13765.6, 0.00289151/step Wall: 13765.6, 0.00289151/step, 0.211241 hours remaining, 207.300781 MB of memory in use. ENERGY: 4737000 776.2056 2099.9019 1942.3772 123.7076 -206002.2251 17634.4997 0.0000 0.0000 34020.9171 -149404.6160 297.1131 -183425.5330 -149312.4122 298.3379 -40.2822 -11.1079 558914.4201 -1.0144 -1.1896 PRESSURE: 4737200 16.7994 -109.703 2.22633 -109.704 0.361202 -40.9895 2.2271 -40.9884 -141.773 GPRESSURE: 4737200 52.8092 -46.6603 21.4991 -135.806 89.0028 -41.8475 -53.4261 -28.2419 -170.757 PRESSAVG: 4737200 49.7855 55.6912 2.58274 55.6911 2.58446 36.9453 2.58279 36.9453 16.3656 GPRESSAVG: 4737200 49.7388 56.7007 2.24121 55.1284 2.63576 37.4251 4.24599 39.4978 15.9356 TIMING: 4737200 CPU: 13766.2, 0.00289/step Wall: 13766.2, 0.00289/step, 0.21097 hours remaining, 207.300781 MB of memory in use. ENERGY: 4737200 741.9307 2123.5559 1935.8982 122.0036 -206462.1240 17740.8678 0.0000 0.0000 34409.8996 -149387.9682 300.5102 -183797.8678 -149291.9997 299.2634 -41.5373 -9.6483 557970.9804 22.9119 22.7700 PRESSURE: 4737400 117.727 -27.4401 -96.3393 -27.4396 171.83 26.7511 -96.3397 26.7512 -332.178 GPRESSURE: 4737400 155.274 -62.602 -80.0243 -56.2118 127.285 -13.4349 -145.012 19.7314 -236.378 PRESSAVG: 4737400 20.917 2.85578 -37.5743 2.85583 -6.75594 6.49014 -37.5743 6.49017 22.0026 GPRESSAVG: 4737400 20.8907 5.91634 -37.3445 -0.0253366 -7.47919 6.13124 -39.6577 3.39933 23.1448 TIMING: 4737400 CPU: 13766.7, 0.00289582/step Wall: 13766.7, 0.00289582/step, 0.211234 hours remaining, 207.300781 MB of memory in use. ENERGY: 4737400 782.7977 2078.0455 1967.2340 104.4463 -206450.5903 17867.0672 0.0000 0.0000 34049.6632 -149601.3363 297.3642 -183650.9995 -149504.4600 298.5839 -14.2071 15.3935 558175.3064 12.0545 12.1854 PRESSURE: 4737600 226.296 28.7116 134.668 28.7117 -58.7931 121.399 134.669 121.399 60.1848 GPRESSURE: 4737600 250.362 7.742 157.051 79.9766 -31.561 114.558 121.054 140.461 102.292 PRESSAVG: 4737600 -40.5556 27.8365 30.6053 27.8365 -6.7874 69.0659 30.6053 69.0658 23.1372 GPRESSAVG: 4737600 -41.1033 24.1886 31.3191 29.4779 -6.5934 68.4013 31.2704 70.5672 22.9561 TIMING: 4737600 CPU: 13767.3, 0.00288837/step Wall: 13767.3, 0.00288837/step, 0.21053 hours remaining, 207.300781 MB of memory in use. ENERGY: 4737600 736.2970 2124.8492 1944.8059 123.4410 -206519.4434 17990.4991 0.0000 0.0000 34067.2996 -149532.2517 297.5182 -183599.5513 -149445.5527 298.2375 75.8960 107.0311 558303.9515 -8.0686 -8.2469 PRESSURE: 4737800 184.338 22.2599 -48.2384 22.2601 95.6675 -106.098 -48.2394 -106.098 -40.7447 GPRESSURE: 4737800 260.162 46.9524 -75.4394 55.8631 92.4582 -67.8236 -3.29337 -82.004 -16.1141 PRESSAVG: 4737800 -59.4962 -15.8199 28.2635 -15.8199 -39.1302 -67.0878 28.2635 -67.0879 63.5752 GPRESSAVG: 4737800 -59.5956 -16.5407 28.9588 -15.5058 -38.0756 -62.8828 28.6946 -67.8833 62.291 TIMING: 4737800 CPU: 13767.9, 0.00288166/step Wall: 13767.9, 0.00288166/step, 0.209881 hours remaining, 207.300781 MB of memory in use. ENERGY: 4737800 746.0745 2142.7521 1925.2964 129.5975 -206723.8940 18136.4747 0.0000 0.0000 34029.2291 -149614.4696 297.1857 -183643.6988 -149518.7317 298.4489 79.7537 112.1688 557872.9993 -11.6837 -11.7934 PRESSURE: 4738000 87.0497 -5.55259 -49.4909 -5.55205 35.3958 -89.4873 -49.4923 -89.4871 -254.099 GPRESSURE: 4738000 125.64 3.66119 -18.9872 -66.6809 74.0352 -45.1733 -11.5125 -118.196 -220.964 PRESSAVG: 4738000 -46.8702 -67.2082 -64.3711 -67.2083 16.6663 -71.1283 -64.3711 -71.1283 41.78 GPRESSAVG: 4738000 -47.4655 -66.3942 -66.4165 -68.3031 16.5843 -74.4034 -63.8922 -69.6526 42.8225 TIMING: 4738000 CPU: 13768.5, 0.00289652/step Wall: 13768.5, 0.00289652/step, 0.210802 hours remaining, 207.300781 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: 4738000 753.2284 2091.5761 1973.6389 119.2267 -206421.3811 17740.2725 0.0000 0.0000 34314.1910 -149429.2474 299.6744 -183743.4384 -149339.2674 298.9337 -43.8844 -7.0962 555771.0253 3.8587 3.9805 PRESSURE: 4738200 -158.729 203.039 104.075 203.04 -167.39 87.3423 104.075 87.3419 -375.884 GPRESSURE: 4738200 -155.09 137.504 110.539 234.008 -98.0219 50.9258 75.1627 165.591 -344.62 PRESSAVG: 4738200 -77.3961 11.4244 -36.2334 11.4244 2.82467 -7.74931 -36.2334 -7.74939 57.5893 GPRESSAVG: 4738200 -76.1766 10.6855 -35.177 13.8095 1.26877 -8.13287 -38.3471 -10.2874 58.6306 TIMING: 4738200 CPU: 13769.1, 0.00288948/step Wall: 13769.1, 0.00288948/step, 0.210129 hours remaining, 207.300781 MB of memory in use. ENERGY: 4738200 744.8123 2110.5385 1963.0580 121.2944 -206141.4351 17524.8938 0.0000 0.0000 34101.1938 -149575.6442 297.8142 -183676.8380 -149472.4442 299.4498 -234.0010 -199.2441 557298.0527 -5.6607 -5.4257 PRESSURE: 4738400 -93.4147 169.133 -164.802 169.133 -166.788 31.9251 -164.802 31.9259 -386.793 GPRESSURE: 4738400 -60.8933 115.986 -196.014 147.556 -159.114 60.0954 -77.9329 6.27477 -343.661 PRESSAVG: 4738400 24.9126 54.4237 -18.6304 54.4237 -2.9796 -41.7357 -18.6305 -41.7357 -2.98663 GPRESSAVG: 4738400 24.0931 56.2309 -18.7278 53.2795 -1.94808 -39.2621 -17.3812 -42.3716 -3.33916 TIMING: 4738400 CPU: 13769.6, 0.00288657/step Wall: 13769.6, 0.00288657/step, 0.209758 hours remaining, 207.300781 MB of memory in use. ENERGY: 4738400 772.3263 2178.4433 1974.6948 118.4004 -205994.4366 17574.7894 0.0000 0.0000 33981.7280 -149394.0545 296.7709 -183375.7824 -149294.1559 298.2950 -215.6652 -187.8894 557844.3015 6.3155 6.2686 PRESSURE: 4738600 -145.337 27.3256 -127.86 27.326 -117.531 112.331 -127.859 112.332 84.3275 GPRESSURE: 4738600 -109.411 68.8802 -111.777 -3.58565 -33.8145 96.9145 -152.765 141.454 58.7207 PRESSAVG: 4738600 -49.322 -8.08943 -20.831 -8.08943 41.5294 -18.0125 -20.831 -18.0124 17.4862 GPRESSAVG: 4738600 -48.907 -9.77898 -18.4717 -6.85082 42.1506 -19.9683 -21.4345 -15.5978 16.5292 TIMING: 4738600 CPU: 13770.2, 0.00289104/step Wall: 13770.2, 0.00289104/step, 0.209921 hours remaining, 207.300781 MB of memory in use. ENERGY: 4738600 761.6880 2154.4526 1966.5939 125.9374 -206415.3711 17728.8235 0.0000 0.0000 34234.5450 -149443.3308 298.9788 -183677.8758 -149345.6164 299.0597 -59.5136 -28.1684 556187.0903 3.2312 3.2576 PRESSURE: 4738800 -258.173 -130.417 70.6752 -130.418 175.427 371.907 70.676 371.907 -119.542 GPRESSURE: 4738800 -217.12 -126.225 86.9672 -128.805 192.23 438.036 71.8249 294.454 -69.1213 PRESSAVG: 4738800 -75.1196 -4.65554 -25.1104 -4.65561 -11.4552 42.9576 -25.1104 42.9575 38.8651 GPRESSAVG: 4738800 -74.6313 -3.39293 -26.4122 -5.707 -13.4096 43.9642 -24.4596 41.27 40.1826 TIMING: 4738800 CPU: 13770.8, 0.00290037/step Wall: 13770.8, 0.00290037/step, 0.210438 hours remaining, 207.300781 MB of memory in use. ENERGY: 4738800 762.1913 2111.9435 1954.0663 127.0004 -206611.7540 17860.4561 0.0000 0.0000 34323.5114 -149472.5851 299.7558 -183796.0964 -149375.6485 299.1043 -67.4291 -31.3372 557480.8184 -15.9032 -15.9527 PRESSURE: 4739000 -374.039 90.8053 342.438 90.8042 -166.988 14.893 342.438 14.8932 -277.454 GPRESSURE: 4739000 -382.613 56.5253 279.045 97.0145 -152.974 -3.14411 340.484 39.2803 -184.776 PRESSAVG: 4739000 -27.7323 -20.6518 57.0599 -20.6518 39.7237 55.0845 57.0597 55.0844 6.15945 GPRESSAVG: 4739000 -28.6643 -21.9401 57.9091 -19.1002 41.4293 53.1763 56.813 56.0112 5.9457 TIMING: 4739000 CPU: 13771.4, 0.00291746/step Wall: 13771.4, 0.00291746/step, 0.211516 hours remaining, 207.300781 MB of memory in use. ENERGY: 4739000 745.9979 2122.7268 1945.7654 119.0808 -206115.4004 17615.5160 0.0000 0.0000 34130.2529 -149436.0605 298.0680 -183566.3134 -149339.9856 298.8393 -272.8272 -240.1211 558080.6075 6.0503 6.2369 PRESSURE: 4739200 124.959 94.0136 -92.2894 94.0131 -76.8882 120.172 -92.2909 120.171 163.085 GPRESSURE: 4739200 159.43 74.9972 23.8532 158.063 -46.641 102.214 -184.977 56.8419 182.825 PRESSAVG: 4739200 -106.755 4.13815 56.4077 4.1381 12.9261 -14.7444 56.4077 -14.7444 88.4836 GPRESSAVG: 4739200 -106.179 6.3422 56.5531 2.56095 13.461 -13.4293 56.122 -15.7872 87.9673 TIMING: 4739200 CPU: 13771.9, 0.00288717/step Wall: 13771.9, 0.00288717/step, 0.209159 hours remaining, 207.300781 MB of memory in use. ENERGY: 4739200 729.1448 2091.5301 1934.7521 125.3589 -206600.1965 17829.6030 0.0000 0.0000 34223.8620 -149665.9456 298.8855 -183889.8076 -149562.0690 298.5063 70.3852 98.5379 554873.5199 -1.7817 -1.5834 PRESSURE: 4739400 -155.497 -84.0842 -26.459 -84.0842 11.6208 -64.6786 -26.4586 -64.6787 -242.759 GPRESSURE: 4739400 -117.901 -110.403 6.46541 -54.2925 49.6642 17.6335 -58.0265 -24.2827 -214.925 PRESSAVG: 4739400 -33.1179 -13.9949 -9.5468 -13.9947 32.2358 21.1217 -9.54673 21.1216 2.4295 GPRESSAVG: 4739400 -33.1485 -16.2169 -9.86346 -12.6315 31.3787 20.6049 -8.95913 21.8111 3.35422 TIMING: 4739400 CPU: 13772.5, 0.00290044/step Wall: 13772.5, 0.00290044/step, 0.20996 hours remaining, 207.300781 MB of memory in use. ENERGY: 4739400 731.8491 2114.4648 1937.9811 110.1084 -206262.6424 17626.0027 0.0000 0.0000 34229.6263 -149512.6101 298.9358 -183742.2364 -149412.4739 298.7271 -128.8785 -94.3874 557213.3261 0.5158 0.5281 PRESSURE: 4739600 -304.972 -46.7456 -131.495 -46.7461 129.209 -48.3972 -131.494 -48.3962 11.1021 GPRESSURE: 4739600 -254.424 -122.982 -115.46 -23.113 171.328 -79.8902 -160.282 59.552 -1.8926 PRESSAVG: 4739600 -21.8756 -32.2151 -2.35019 -32.2152 -26.4893 -31.3849 -2.35022 -31.385 36.2275 GPRESSAVG: 4739600 -21.1447 -29.7197 -3.31089 -33.1885 -25.6872 -30.54 -1.89206 -32.5236 34.765 TIMING: 4739600 CPU: 13773.1, 0.00287578/step Wall: 13773.1, 0.00287578/step, 0.208015 hours remaining, 207.300781 MB of memory in use. ENERGY: 4739600 766.1580 2114.8471 1934.1443 117.4253 -206306.7365 17778.9050 0.0000 0.0000 34146.5501 -149448.7067 298.2103 -183595.2568 -149355.5052 298.4549 -54.8868 -28.3296 556911.7356 -4.0458 -4.0223 PRESSURE: 4739800 8.6069 -73.147 -108.068 -73.1461 223.255 22.9572 -108.067 22.9576 -315.364 GPRESSURE: 4739800 -1.52158 -146.26 -166.066 -36.7052 237.465 90.0046 -124.919 1.61428 -230.354 PRESSAVG: 4739800 -11.5124 -13.8032 -36.9459 -13.8031 11.873 -38.4435 -36.9457 -38.4436 18.7536 GPRESSAVG: 4739800 -12.5144 -14.3185 -36.6197 -12.7461 11.5252 -42.5719 -37.9742 -36.1327 20.1798 TIMING: 4739800 CPU: 13773.7, 0.00286956/step Wall: 13773.7, 0.00286956/step, 0.207405 hours remaining, 207.503906 MB of memory in use. ENERGY: 4739800 734.4153 2137.8683 1935.2642 111.4301 -206431.7266 17737.0075 0.0000 0.0000 34301.8310 -149473.9102 299.5664 -183775.7412 -149375.3291 298.9086 -27.8341 1.8631 557001.4024 6.3714 6.3969 PRESSURE: 4740000 196.207 29.1646 24.723 29.1649 -100.684 -225.34 24.7223 -225.34 36.319 GPRESSURE: 4740000 203.241 118.215 26.6097 -10.4247 -84.4991 -279.745 23.3752 -84.4408 114.119 PRESSAVG: 4740000 -54.9294 -16.6661 -38.3581 -16.6661 80.7412 19.1788 -38.3581 19.1788 -37.4384 GPRESSAVG: 4740000 -55.2303 -18.7107 -36.7858 -16.0246 80.5655 22.401 -38.5014 16.2238 -36.9863 TIMING: 4740000 CPU: 13774.3, 0.00288459/step Wall: 13774.3, 0.00288459/step, 0.208331 hours remaining, 207.503906 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: 4740000 742.5709 2044.3058 1949.8125 113.9692 -206255.7434 17820.9529 0.0000 0.0000 34224.7214 -149359.4107 298.8930 -183584.1321 -149262.4537 298.7561 43.9472 77.6205 556422.2084 -3.8755 -3.8837 PRESSURE: 4740200 439.786 -96.4613 -3.91727 -96.4612 94.5827 62.437 -3.91852 62.4352 63.5406 GPRESSURE: 4740200 473.185 -69.4697 19.6408 -45.1247 146.115 119.867 -11.8138 101.163 82.2704 PRESSAVG: 4740200 27.3607 -23.641 2.77581 -23.641 41.2388 52.5845 2.77581 52.5844 -35.9579 GPRESSAVG: 4740200 28.5281 -21.3107 1.36056 -25.7663 41.7051 53.0921 3.88019 54.7497 -37.8637 TIMING: 4740200 CPU: 13774.8, 0.00289227/step Wall: 13774.8, 0.00289227/step, 0.208725 hours remaining, 207.503906 MB of memory in use. ENERGY: 4740200 768.1105 2054.4973 1943.6789 109.0298 -206762.0877 18185.9731 0.0000 0.0000 34288.4329 -149412.3652 299.4494 -183700.7981 -149315.4082 298.7254 199.3030 233.8568 555302.3805 10.8805 10.7898 LDB: ============= START OF LOAD BALANCING ============== 13778.3 LDB: ============== END OF LOAD BALANCING =============== 13778.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13778.3 LDB: ============= START OF LOAD BALANCING ============== 13778.6 LDB: Largest compute 4848 load 0.029054 is 24.7% of average load 0.117821 LDB: Average compute 0.001742 is 1.5% of average load 0.117821 LDB: TIME 13778.6 LOAD: AVG 0.117821 MAX 0.181866 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 13778.6 LOAD: AVG 0.117821 MAX 0.181866 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: TIME 13778.6 LOAD: AVG 0.117821 MAX 0.181866 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.602 MB LDB: ============== END OF LOAD BALANCING =============== 13778.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13778.6 PRESSURE: 4740400 158.089 67.5306 80.1594 67.53 4.34297 21.7841 80.1588 21.7855 -181.198 GPRESSURE: 4740400 200.022 -8.71238 97.979 98.4491 55.3574 57.0901 91.2459 -22.2011 -158.253 PRESSAVG: 4740400 -14.1748 43.4325 22.076 43.4325 38.8537 24.1583 22.076 24.1584 -53.4821 GPRESSAVG: 4740400 -14.6089 43.4672 23.018 42.8431 38.454 24.274 21.1379 21.8518 -52.2116 TIMING: 4740400 CPU: 13775.4, 0.00296801/step Wall: 13775.4, 0.00296801/step, 0.214026 hours remaining, 206.585938 MB of memory in use. ENERGY: 4740400 769.9584 2090.8133 1944.7337 112.3769 -206396.6178 17923.7287 0.0000 0.0000 34140.0419 -149414.9650 298.1535 -183555.0069 -149319.7643 298.8446 -6.2554 32.3758 557087.7457 -9.6011 -9.4555 PRESSURE: 4740600 203.165 -23.1722 -47.7625 -23.1728 256.258 11.884 -47.7632 11.8837 76.6007 GPRESSURE: 4740600 207.095 7.78097 -63.5394 -32.2443 327.592 86.6728 -62.6835 -162.771 107.114 PRESSAVG: 4740600 1.95497 27.7018 32.807 27.7018 69.1228 14.534 32.807 14.5339 -29.875 GPRESSAVG: 4740600 1.68211 26.2576 31.9048 29.6586 69.0938 14.0045 34.2416 14.9782 -29.8781 TIMING: 4740600 CPU: 13776, 0.00289314/step Wall: 13776, 0.00289314/step, 0.208467 hours remaining, 207.046875 MB of memory in use. ENERGY: 4740600 739.0262 2114.1372 1948.8331 104.7996 -206585.0361 18062.8684 0.0000 0.0000 34055.5390 -149559.8326 297.4155 -183615.3716 -149463.1032 298.4903 178.6745 213.9337 555830.9646 13.7342 13.6326 PRESSURE: 4740800 -105.217 10.4255 38.1288 10.4254 -333.968 118.985 38.1289 118.982 -112.079 GPRESSURE: 4740800 -38.825 -36.0558 94.1771 16.5752 -317.921 47.6595 89.9163 194.781 -88.873 PRESSAVG: 4740800 9.1337 27.626 22.5491 27.626 0.180176 45.3448 22.5492 45.3448 1.72749 GPRESSAVG: 4740800 10.0328 28.4899 24.4858 27.508 1.02453 45.2712 21.86 44.3729 -0.488108 TIMING: 4740800 CPU: 13776.6, 0.00289549/step Wall: 13776.6, 0.00289549/step, 0.208475 hours remaining, 207.046875 MB of memory in use. ENERGY: 4740800 770.5125 2087.4188 1940.1425 114.7377 -206301.0310 17732.5656 0.0000 0.0000 34221.2832 -149434.3707 298.8630 -183655.6539 -149334.3158 298.1330 -183.7545 -148.5397 556982.5839 3.6805 3.5231 PRESSURE: 4741000 152.848 52.5141 12.8588 52.5135 -286.598 109.887 12.8598 109.889 5.21986 GPRESSURE: 4741000 168.007 36.967 -14.0535 66.9003 -220.128 122.001 42.525 80.5911 16.4871 PRESSAVG: 4741000 16.48 58.996 -0.177082 58.9961 -28.931 29.183 -0.176936 29.183 -67.4471 GPRESSAVG: 4741000 16.0345 59.3566 -1.69161 57.6247 -29.59 28.1163 -0.16156 31.355 -66.4119 TIMING: 4741000 CPU: 13777.2, 0.00289415/step Wall: 13777.2, 0.00289415/step, 0.208218 hours remaining, 207.046875 MB of memory in use. ENERGY: 4741000 725.6188 2093.6571 1965.8467 115.0857 -206017.9409 17580.9406 0.0000 0.0000 34146.5434 -149390.2485 298.2103 -183536.7919 -149290.7992 298.6321 -42.8433 -11.8782 555804.7545 -26.6327 -26.6558 PRESSURE: 4741200 -78.2918 -55.831 -54.729 -55.8328 -29.9244 30.083 -54.7285 30.0834 108.285 GPRESSURE: 4741200 -44.2771 -99.831 -114.352 -43.347 -30.5412 48.0351 -93.7548 49.3862 163.491 PRESSAVG: 4741200 16.3074 4.6577 -22.9645 4.65766 -22.9435 24.683 -22.9646 24.683 85.9401 GPRESSAVG: 4741200 16.1608 3.3069 -24.4727 7.55719 -23.6237 24.9253 -22.4715 24.537 86.7232 TIMING: 4741200 CPU: 13777.7, 0.00290323/step Wall: 13777.7, 0.00290323/step, 0.20871 hours remaining, 207.046875 MB of memory in use. ENERGY: 4741200 788.1797 2081.3294 1975.9362 112.5781 -206242.6711 17727.2800 0.0000 0.0000 34244.4839 -149312.8838 299.0656 -183557.3677 -149219.2358 299.3589 0.0228 29.5576 555554.6099 26.4346 26.4201 PRESSURE: 4741400 -15.5325 65.7956 -69.6967 65.7963 -105.136 -37.4021 -69.6985 -37.4011 18.636 GPRESSURE: 4741400 -22.9094 54.0177 -62.2146 -4.28453 -13.4668 7.03498 -72.4982 20.8118 23.6257 PRESSAVG: 4741400 -76.34 -14.9232 -6.17065 -14.9232 28.0892 3.88224 -6.17063 3.88225 22.4285 GPRESSAVG: 4741400 -75.6009 -14.1306 -5.36439 -16.0759 28.4734 3.50537 -4.97986 3.81859 21.2778 TIMING: 4741400 CPU: 13778.3, 0.00292368/step Wall: 13778.3, 0.00292369/step, 0.210018 hours remaining, 207.046875 MB of memory in use. ENERGY: 4741400 755.4872 2045.5481 1955.6417 124.4551 -206030.2318 17729.3725 0.0000 0.0000 34203.3022 -149216.4251 298.7059 -183419.7273 -149117.1080 299.2220 -34.0109 -4.2502 557806.8833 -8.6074 -8.6166 PRESSURE: 4741600 -179.998 149.577 129.174 149.577 -241.021 140.7 129.173 140.702 -191.714 GPRESSURE: 4741600 -174.284 145.472 106.172 144.85 -204.901 96.7462 93.8008 250.314 -133.476 PRESSAVG: 4741600 -34.2658 50.43 -26.6138 50.4301 -49.3073 -13.7231 -26.6139 -13.723 48.8141 GPRESSAVG: 4741600 -34.1919 51.6689 -25.9492 49.4682 -49.9445 -14.3515 -28.6071 -13.8474 49.223 TIMING: 4741600 CPU: 13778.9, 0.00291528/step Wall: 13778.9, 0.00291528/step, 0.209252 hours remaining, 207.105469 MB of memory in use. ENERGY: 4741600 779.0289 2144.4062 1943.8065 110.1082 -205977.8522 17578.3901 0.0000 0.0000 34268.0101 -149154.1022 299.2711 -183422.1123 -149063.0232 298.6888 -204.2443 -170.8869 558510.0771 -11.5863 -11.6378 PRESSURE: 4741800 -332.058 -46.8465 117.817 -46.8444 -112.852 -134.219 117.817 -134.22 -271.91 GPRESSURE: 4741800 -286.061 -61.947 107.796 -18.0779 -118.544 -31.0006 153.239 -198.696 -220.548 PRESSAVG: 4741800 1.72902 -4.82733 21.8192 -4.8274 22.3858 -34.7889 21.8192 -34.7889 1.67656 GPRESSAVG: 4741800 0.503326 -4.3035 20.797 -4.53665 22.3132 -32.7721 23.2615 -36.9133 2.84832 TIMING: 4741800 CPU: 13779.5, 0.00292326/step Wall: 13779.5, 0.00292326/step, 0.209663 hours remaining, 207.105469 MB of memory in use. ENERGY: 4741800 764.5895 2106.0234 1960.4249 109.2149 -205779.9223 17434.4951 0.0000 0.0000 34272.7092 -149132.4652 299.3121 -183405.1744 -149031.0043 300.0869 -238.9401 -208.3842 557949.7615 8.5971 8.5550 PRESSURE: 4742000 -282.824 59.1814 -94.458 59.1807 -191.136 -117.269 -94.4575 -117.269 -81.1219 GPRESSURE: 4742000 -290.803 5.79491 -161.812 115.948 -133.52 -144.319 -68.1563 -89.9405 -26.3877 PRESSAVG: 4742000 23.6616 57.8239 10.0306 57.8239 -37.0165 -30.5429 10.0306 -30.5429 59.3193 GPRESSAVG: 4742000 24.5221 57.0336 10.2368 57.8806 -36.9861 -31.0482 7.99974 -30.5759 57.7123 TIMING: 4742000 CPU: 13780.1, 0.00292093/step Wall: 13780.1, 0.00292093/step, 0.209333 hours remaining, 207.105469 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: 4742000 755.5264 2107.1212 1937.7440 105.9427 -206105.2191 17521.0685 0.0000 0.0000 34436.9329 -149240.8834 300.7463 -183677.8163 -149144.2501 299.5603 -185.0276 -150.2370 557490.4901 15.3215 15.0828 PRESSURE: 4742200 66.8006 66.0501 42.2936 66.0484 25.6327 -61.5007 42.2938 -61.5023 115.815 GPRESSURE: 4742200 94.3559 112.993 45.5201 3.22791 42.2284 -10.3925 -14.2831 -36.9677 157.336 PRESSAVG: 4742200 51.8174 17.0276 -19.3644 17.0276 -18.7158 9.66371 -19.3644 9.66381 -39.4001 GPRESSAVG: 4742200 51.3554 15.5631 -20.142 17.677 -18.4422 10.3105 -17.7486 10.126 -39.4783 TIMING: 4742200 CPU: 13780.7, 0.00290669/step Wall: 13780.7, 0.00290669/step, 0.208151 hours remaining, 207.105469 MB of memory in use. ENERGY: 4742200 745.2326 2086.1991 1964.7402 123.4019 -205951.2750 17525.5218 0.0000 0.0000 34313.1102 -149193.0691 299.6649 -183506.1794 -149095.4714 299.1074 69.4160 97.9734 556387.1334 -2.0995 -2.1884 PRESSURE: 4742400 171.042 52.6897 -38.1227 52.6901 -245.346 74.6189 -38.1211 74.6178 231.041 GPRESSURE: 4742400 195.813 76.6938 -106.927 30.9352 -267.691 87.1255 -8.4376 81.8244 323.911 PRESSAVG: 4742400 58.9357 -27.277 35.4457 -27.277 -76.1783 -18.3175 35.4457 -18.3174 26.8152 GPRESSAVG: 4742400 59.6562 -27.1161 33.7039 -27.5328 -76.9054 -19.2499 34.6545 -18.7206 26.4857 TIMING: 4742400 CPU: 13781.2, 0.00290233/step Wall: 13781.2, 0.00290233/step, 0.207678 hours remaining, 207.105469 MB of memory in use. ENERGY: 4742400 737.5189 2100.0887 1947.2983 118.9084 -206147.0409 17719.9299 0.0000 0.0000 34459.0354 -149064.2612 300.9393 -183523.2967 -148976.4002 299.1272 52.2456 84.0107 556855.7997 3.1909 3.0788 PRESSURE: 4742600 -14.1386 8.64045 60.8928 8.63994 46.0289 -66.7158 60.8926 -66.7172 140.187 GPRESSURE: 4742600 25.1129 -41.3547 59.0655 -35.3308 71.9468 -78.3661 -12.4315 -100.597 159.586 PRESSAVG: 4742600 34.9497 -55.6948 3.54333 -55.6948 24.2686 -5.40145 3.54335 -5.40136 -47.6066 GPRESSAVG: 4742600 34.8952 -55.0683 6.5375 -57.8584 24.4494 -5.89874 2.37825 -3.88274 -47.5252 TIMING: 4742600 CPU: 13781.8, 0.00289925/step Wall: 13781.8, 0.00289925/step, 0.207296 hours remaining, 207.105469 MB of memory in use. ENERGY: 4742600 753.1824 2073.9714 1959.4757 112.7115 -205906.2643 17820.6856 0.0000 0.0000 34249.4467 -148936.7910 299.1089 -183186.2377 -148830.2134 299.2368 57.3593 85.5485 557797.6183 3.8706 3.9398 PRESSURE: 4742800 -227.631 -184.797 41.5133 -184.798 -128.601 35.9041 41.5137 35.9036 -166.639 GPRESSURE: 4742800 -205.695 -112.417 147.67 -275.807 -73.9812 34.6117 -34.6302 15.216 -148.034 PRESSAVG: 4742800 31.1347 8.12926 8.70198 8.12922 -23.9442 -36.1905 8.70212 -36.1906 -30.2967 GPRESSAVG: 4742800 31.3093 7.82671 7.5743 7.95323 -23.7073 -36.201 7.01102 -36.5783 -30.4909 TIMING: 4742800 CPU: 13782.4, 0.00289088/step Wall: 13782.4, 0.00289088/step, 0.206537 hours remaining, 207.105469 MB of memory in use. ENERGY: 4742800 779.6463 2027.8551 1967.3307 115.8792 -205742.1429 17585.3297 0.0000 0.0000 34347.2315 -148918.8704 299.9629 -183266.1019 -148822.0500 299.4354 -174.2905 -142.5702 558342.7835 -7.7021 -7.6296 PRESSURE: 4743000 -338.951 65.8338 14.0364 65.835 -53.5498 -35.8777 14.0374 -35.8789 172.243 GPRESSURE: 4743000 -238.187 1.9356 -4.01326 23.2009 -55.5026 70.6623 -45.947 -20.668 172.699 PRESSAVG: 4743000 -31.2224 9.47477 27.0014 9.47478 -2.77805 -38.4571 27.0013 -38.4572 65.8805 GPRESSAVG: 4743000 -32.1638 10.6588 27.8941 7.82208 -2.06245 -37.2202 28.8987 -37.6716 66.1349 TIMING: 4743000 CPU: 13783, 0.00289793/step Wall: 13783, 0.00289793/step, 0.20688 hours remaining, 207.117188 MB of memory in use. ENERGY: 4743000 769.9580 2030.7731 1971.1157 130.9807 -205649.3056 17577.9133 0.0000 0.0000 34074.4225 -149094.1424 297.5804 -183168.5648 -148995.9946 299.1722 -73.4193 -40.3300 558264.9551 10.6267 10.6362 PRESSURE: 4743200 -11.6417 -97.1738 3.61733 -97.175 -59.4427 -70.1875 3.6175 -70.1875 222.003 GPRESSURE: 4743200 54.743 -86.7429 62.1385 -161.223 -5.18543 -86.4283 -53.1464 -67.6061 204.432 PRESSAVG: 4743200 -25.0188 -18.5978 48.3129 -18.5978 17.5696 -39.8719 48.3129 -39.8718 30.1382 GPRESSAVG: 4743200 -24.0759 -21.5564 46.3652 -16.5276 16.9772 -40.3214 49.1162 -42.9001 29.606 TIMING: 4743200 CPU: 13783.6, 0.00288666/step Wall: 13783.6, 0.00288666/step, 0.205915 hours remaining, 207.117188 MB of memory in use. ENERGY: 4743200 753.8412 2071.0904 1991.7160 115.0964 -206195.2808 18022.5123 0.0000 0.0000 34069.4850 -149171.5396 297.5373 -183241.0246 -149082.7492 298.6945 50.3063 84.6633 557989.9583 7.5630 7.5024 PRESSURE: 4743400 -120.625 180.084 27.0207 180.083 146.725 -62.9788 27.0218 -62.979 -35.536 GPRESSURE: 4743400 -101.581 105.692 -83.8987 204.498 152.845 -74.8675 -5.35806 -25.0185 43.9318 PRESSAVG: 4743400 -97.011 26.3047 13.7106 26.3048 5.42933 -72.2369 13.7106 -72.237 53.5423 GPRESSAVG: 4743400 -96.6648 27.24 15.3462 26.3251 4.46915 -73.8639 12.8951 -70.8698 54.2904 TIMING: 4743400 CPU: 13784.1, 0.00291258/step Wall: 13784.1, 0.00291258/step, 0.207602 hours remaining, 207.117188 MB of memory in use. ENERGY: 4743400 743.7704 2039.2793 1980.3399 109.3845 -206253.3073 17919.1333 0.0000 0.0000 34155.6081 -149305.7919 298.2894 -183461.4000 -149216.0965 298.7424 -3.1454 31.7318 557002.8403 -12.6798 -12.6351 PRESSURE: 4743600 127.017 185.548 219.237 185.548 -171.353 108.092 219.237 108.093 -31.6598 GPRESSURE: 4743600 169.655 216.763 245.861 123.367 -134.429 136.989 177.262 82.17 -16.0488 PRESSAVG: 4743600 -8.13897 22.7425 9.45068 22.7424 -31.2121 21.7544 9.45051 21.7545 57.6603 GPRESSAVG: 4743600 -9.41695 21.8266 8.48961 24.8989 -31.7635 22.9522 11.2709 23.3863 58.9291 TIMING: 4743600 CPU: 13784.7, 0.0029103/step Wall: 13784.7, 0.0029103/step, 0.207278 hours remaining, 207.117188 MB of memory in use. ENERGY: 4743600 735.6100 2045.2193 1955.2551 118.1087 -206619.8105 17968.6916 0.0000 0.0000 34536.3880 -149260.5377 301.6149 -183796.9257 -149159.2342 298.5878 -25.3320 6.3921 557228.8640 6.1031 5.9162 PRESSURE: 4743800 94.7136 121.009 173.189 121.01 196.15 -0.372656 173.188 -0.37285 -252.258 GPRESSURE: 4743800 71.242 110.012 246.976 170.777 199.769 -0.396968 175.248 67.2559 -131.764 PRESSAVG: 4743800 -23.0584 21.7427 -9.91449 21.7427 -51.9745 -27.768 -9.91443 -27.7681 57.1002 GPRESSAVG: 4743800 -22.9017 22.4682 -7.62246 20.9219 -51.685 -26.4715 -12.0451 -28.7833 56.5416 TIMING: 4743800 CPU: 13785.3, 0.00289426/step Wall: 13785.3, 0.00289426/step, 0.205975 hours remaining, 207.117188 MB of memory in use. ENERGY: 4743800 743.4365 2059.5914 1942.0808 121.5180 -206278.5596 17792.8371 0.0000 0.0000 34258.0711 -149361.0245 299.1843 -183619.0957 -149274.1080 299.0878 12.8685 46.4155 556621.8604 -5.9776 -6.0151 PRESSURE: 4744000 -154.604 134.551 -35.0426 134.551 198.857 -25.3674 -35.0424 -25.367 -158.629 GPRESSURE: 4744000 -97.322 147.27 -60.8286 146.577 241.771 -74.4792 52.9756 -49.8575 -163.505 PRESSAVG: 4744000 -73.6369 58.1198 45.9206 58.1198 24.4834 -45.003 45.9206 -45.003 46.9457 GPRESSAVG: 4744000 -74.4088 58.6408 43.6264 58.6842 25.3738 -45.6507 48.0898 -45.3844 46.783 TIMING: 4744000 CPU: 13785.9, 0.00289432/step Wall: 13785.9, 0.00289432/step, 0.205818 hours remaining, 207.117188 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: 4744000 752.4061 2093.7939 1935.2636 111.5746 -205938.6193 17633.1641 0.0000 0.0000 34224.9954 -149187.4216 298.8954 -183412.4169 -149088.2265 299.2453 -38.1253 -6.3521 556875.9339 -0.7359 -0.7507 PRESSURE: 4744200 5.49768 -111.556 -20.0658 -111.556 253.17 85.8415 -20.0657 85.8414 105.969 GPRESSURE: 4744200 71.7904 -121.015 -73.3369 -127.041 208.979 152.609 11.7711 33.149 176.468 PRESSAVG: 4744200 -10.7763 65.8529 20.7901 65.8529 19.0859 63.069 20.7902 63.0691 26.2536 GPRESSAVG: 4744200 -10.0799 64.9922 19.8341 64.888 18.9965 64.479 22.8863 64.1046 25.9091 TIMING: 4744200 CPU: 13786.5, 0.00289179/step Wall: 13786.5, 0.00289179/step, 0.205478 hours remaining, 207.117188 MB of memory in use. ENERGY: 4744200 748.5479 2061.4811 1907.1792 118.2178 -206409.7911 17887.0024 0.0000 0.0000 34461.3675 -149225.9952 300.9597 -183687.3627 -149133.3346 299.4877 121.5456 152.4126 555190.7708 11.5211 11.6085 LDB: ============= START OF LOAD BALANCING ============== 13789.9 LDB: ============== END OF LOAD BALANCING =============== 13789.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13789.9 LDB: ============= START OF LOAD BALANCING ============== 13790.2 LDB: Largest compute 4848 load 0.031966 is 27.1% of average load 0.117865 LDB: Average compute 0.001739 is 1.5% of average load 0.117865 LDB: TIME 13790.2 LOAD: AVG 0.117865 MAX 0.181868 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.504 MB LDB: TIME 13790.2 LOAD: AVG 0.117865 MAX 0.181868 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: TIME 13790.2 LOAD: AVG 0.117865 MAX 0.181868 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.707 MB LDB: ============== END OF LOAD BALANCING =============== 13790.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13790.2 PRESSURE: 4744400 -17.6104 -84.0336 -6.18231 -84.0338 163.494 -118.447 -6.18306 -118.448 -266.662 GPRESSURE: 4744400 18.3901 -62.6043 9.43151 -4.76235 154.398 -71.0349 -72.0967 -83.0013 -199.987 PRESSAVG: 4744400 8.90566 -34.2238 -3.4927 -34.2237 -28.3424 4.26504 -3.49269 4.26502 16.7469 GPRESSAVG: 4744400 9.49449 -32.2558 -2.08541 -33.8965 -29.5169 4.88322 -6.56315 3.50845 16.7857 TIMING: 4744400 CPU: 13787, 0.00293321/step Wall: 13787, 0.00293321/step, 0.208258 hours remaining, 208.203125 MB of memory in use. ENERGY: 4744400 743.2389 2098.2946 1967.2803 100.3046 -205969.4414 17666.4773 0.0000 0.0000 34185.7810 -149208.0648 298.5529 -183393.8457 -149112.6268 299.2674 -40.2597 -9.0662 557793.8724 -0.8966 -1.0789 PRESSURE: 4744600 -27.9808 -44.1119 -196.691 -44.1109 -195.298 13.7169 -196.691 13.7163 -264.034 GPRESSURE: 4744600 -14.055 -120.89 -223.363 -24.3034 -127.83 66.5315 -197.952 -33.2354 -256.31 PRESSAVG: 4744600 -2.51081 25.6084 -36.0166 25.6084 58.766 -5.65466 -36.0167 -5.65463 -46.4671 GPRESSAVG: 4744600 -2.59677 25.4041 -36.6951 25.0537 58.3972 -7.31806 -36.8928 -4.81834 -46.0146 TIMING: 4744600 CPU: 13787.6, 0.00291011/step Wall: 13787.6, 0.00291011/step, 0.206456 hours remaining, 208.273438 MB of memory in use. ENERGY: 4744600 751.6746 2102.0680 1952.5191 102.5026 -206347.5260 17833.1860 0.0000 0.0000 34465.8134 -149139.7623 300.9985 -183605.5756 -149044.2524 299.7397 -162.4374 -132.7318 559478.2553 3.2627 3.2620 PRESSURE: 4744800 108.759 -95.8103 -30.9888 -95.8103 -40.892 94.6444 -30.9886 94.6444 -48.6454 GPRESSURE: 4744800 62.5538 -139.508 -12.6095 -59.7428 28.0909 -11.6169 16.2677 99.8283 31.7857 PRESSAVG: 4744800 56.262 14.2213 -25.5987 14.2213 -29.4729 -4.49573 -25.5987 -4.49572 -10.5179 GPRESSAVG: 4744800 56.557 12.167 -25.8234 14.8448 -27.7548 -4.2727 -24.3457 -5.1009 -11.889 TIMING: 4744800 CPU: 13788.2, 0.00291987/step Wall: 13788.2, 0.00291987/step, 0.206986 hours remaining, 208.273438 MB of memory in use. ENERGY: 4744800 748.8766 2068.2168 1966.2701 121.7716 -206572.1210 18093.3211 0.0000 0.0000 34443.1554 -149130.5095 300.8006 -183573.6648 -149034.9643 299.6569 6.4073 40.8101 557794.4592 5.4237 5.6377 PRESSURE: 4745000 -126.833 -89.2544 36.8688 -89.2537 79.4877 30.1232 36.8691 30.1232 250.742 GPRESSURE: 4745000 -114.417 -3.61284 25.5766 -65.6292 123.994 -0.00765072 31.6614 45.6993 300.793 PRESSAVG: 4745000 -86.5749 28.8038 6.07547 28.8038 131.822 -18.8039 6.07542 -18.8039 -20.6381 GPRESSAVG: 4745000 -87.093 30.1459 6.3922 29.1999 131.493 -20.28 6.79026 -18.5455 -19.3432 TIMING: 4745000 CPU: 13788.8, 0.00291006/step Wall: 13788.8, 0.00291006/step, 0.206129 hours remaining, 208.273438 MB of memory in use. ENERGY: 4745000 697.8240 2096.6057 1965.6511 118.8438 -205978.7691 17793.4946 0.0000 0.0000 34376.9723 -148929.3776 300.2226 -183306.3499 -148832.4850 299.6648 67.7990 103.4565 556297.9962 8.2029 8.3523 PRESSURE: 4745200 36.4238 -142.388 31.304 -142.387 -256.331 -69.0937 31.3048 -69.0955 -101.152 GPRESSURE: 4745200 82.8903 -83.4269 33.1293 -200.568 -221.736 -65.2352 110.053 -66.2715 -88.7324 PRESSAVG: 4745200 29.8758 68.7547 -35.9668 68.7548 8.24748 -34.6124 -35.9668 -34.6123 -96.411 GPRESSAVG: 4745200 29.8495 68.4015 -36.2956 66.9457 9.67006 -33.1376 -37.5918 -34.4295 -97.6705 TIMING: 4745200 CPU: 13789.4, 0.00290371/step Wall: 13789.4, 0.00290371/step, 0.205518 hours remaining, 208.273438 MB of memory in use. ENERGY: 4745200 750.9067 2081.1607 1970.2938 109.4161 -205726.1265 17559.3639 0.0000 0.0000 34241.7671 -149013.2182 299.0419 -183254.9853 -148915.4027 299.8834 -107.0196 -75.8593 557770.2450 -19.4292 -19.3837 PRESSURE: 4745400 -215.107 16.6101 25.4007 16.61 -325.819 -2.69735 25.4006 -2.69744 105.782 GPRESSURE: 4745400 -142.063 27.7545 53.2708 -43.2423 -303.874 -50.2838 38.8899 61.195 108.368 PRESSAVG: 4745400 49.4891 3.79682 1.24841 3.79681 7.97661 -28.6663 1.24842 -28.6662 -31.276 GPRESSAVG: 4745400 50.7121 5.07585 0.152507 4.7468 6.16296 -27.308 1.69538 -30.0864 -30.2965 TIMING: 4745400 CPU: 13790, 0.00290876/step Wall: 13790, 0.00290876/step, 0.205714 hours remaining, 208.273438 MB of memory in use. ENERGY: 4745400 740.2333 2069.3331 1976.7039 120.1631 -206067.5035 17731.8846 0.0000 0.0000 34215.7054 -149213.4803 298.8143 -183429.1856 -149123.1666 299.6895 -145.0481 -112.5230 558321.5276 8.7299 8.8595 PRESSURE: 4745600 29.9957 3.91719 63.7361 3.91767 -164.428 -155.786 63.7367 -155.787 -273.202 GPRESSURE: 4745600 49.0558 15.7772 16.2861 22.0284 -90.1011 -111.832 42.1186 -152.425 -281.361 PRESSAVG: 4745600 -60.7846 18.1588 32.2186 18.1588 3.7114 -52.2451 32.2186 -52.2449 52.3524 GPRESSAVG: 4745600 -62.4222 19.2446 34.9975 18.2868 5.25038 -55.3919 31.0285 -49.3324 52.7159 TIMING: 4745600 CPU: 13790.5, 0.00289383/step Wall: 13790.5, 0.00289383/step, 0.204497 hours remaining, 208.273438 MB of memory in use. ENERGY: 4745600 736.9723 2094.4878 1961.1444 117.0245 -205867.9052 17533.6244 0.0000 0.0000 34196.4514 -149228.2005 298.6461 -183424.6518 -149135.8669 298.8781 -135.8783 -107.4688 558196.6669 -1.5736 -1.4853 PRESSURE: 4745800 -17.8092 93.588 -22.5812 93.5881 -72.9276 -30.0473 -22.5805 -30.0491 131.862 GPRESSURE: 4745800 40.8683 62.269 9.4266 96.504 -7.87033 -11.8206 63.641 -65.2059 113.229 PRESSAVG: 4745800 17.6211 -48.1773 50.8781 -48.1774 -35.1481 9.39207 50.8781 9.39196 65.3706 GPRESSAVG: 4745800 19.0598 -50.8154 51.5837 -48.4264 -35.6629 12.4122 50.7392 6.17438 64.8214 TIMING: 4745800 CPU: 13791.1, 0.00289729/step Wall: 13791.1, 0.00289729/step, 0.204581 hours remaining, 208.273438 MB of memory in use. ENERGY: 4745800 717.3358 2074.3824 1965.2940 121.8006 -206114.6294 17777.8255 0.0000 0.0000 34280.6873 -149177.3038 299.3818 -183457.9911 -149081.7820 299.0780 13.7084 48.7423 557949.6856 15.9479 16.0728 PRESSURE: 4746000 -149.934 -6.58595 21.7325 -6.58658 -45.8735 102.302 21.7321 102.302 -245.085 GPRESSURE: 4746000 -109.68 5.12611 -18.9638 -70.7569 -6.46645 50.4879 -17.2082 24.463 -230.662 PRESSAVG: 4746000 -45.0164 -60.6544 -0.54205 -60.6544 8.52384 6.50082 -0.542059 6.50077 36.1632 GPRESSAVG: 4746000 -45.2889 -58.4063 -3.2908 -61.1392 8.40843 4.95718 1.29382 8.24911 36.8475 TIMING: 4746000 CPU: 13791.7, 0.00291406/step Wall: 13791.7, 0.00291406/step, 0.205603 hours remaining, 208.273438 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: 4746000 797.1959 2094.7599 1927.1964 113.3819 -206002.7381 17699.8492 0.0000 0.0000 34184.3090 -149186.0459 298.5401 -183370.3549 -149091.1026 298.8803 -146.9642 -115.6027 558040.0737 -0.1098 -0.0110 PRESSURE: 4746200 -45.7329 -41.1517 -148.138 -41.1511 151.759 -43.0853 -148.137 -43.0858 -41.7459 GPRESSURE: 4746200 -62.8832 1.27812 -152.006 -27.1626 187.098 15.5851 -130.285 -79.6747 43.3276 PRESSAVG: 4746200 46.712 10.469 -80.0943 10.469 32.5787 5.47574 -80.0943 5.47576 -33.3603 GPRESSAVG: 4746200 47.7764 9.53884 -78.7465 10.3907 31.4356 4.84783 -81.3955 6.0186 -32.836 TIMING: 4746200 CPU: 13792.3, 0.00292449/step Wall: 13792.3, 0.00292449/step, 0.206176 hours remaining, 208.273438 MB of memory in use. ENERGY: 4746200 747.5473 2078.4758 1990.2855 105.5787 -206696.1041 18005.0680 0.0000 0.0000 34519.1458 -149250.0030 301.4643 -183769.1488 -149150.5693 300.2261 21.4269 55.8473 556996.1276 15.3102 15.4586 PRESSURE: 4746400 153.243 108.553 -33.8417 108.554 -83.0745 -1.12591 -33.8409 -1.12641 -52.5597 GPRESSURE: 4746400 156.332 112.394 -58.632 143.878 -37.9734 12.3983 -53.1414 96.2806 -3.62011 PRESSAVG: 4746400 28.1121 26.3947 -68.6985 26.3947 40.2437 41.8478 -68.6985 41.8479 -46.9207 GPRESSAVG: 4746400 27.1568 27.4626 -69.1653 26.1943 41.0829 40.7002 -68.083 41.588 -47.2845 TIMING: 4746400 CPU: 13792.9, 0.00291028/step Wall: 13792.9, 0.00291028/step, 0.205013 hours remaining, 208.273438 MB of memory in use. ENERGY: 4746400 754.6158 2071.6572 1952.4882 110.1174 -206441.1399 17995.8653 0.0000 0.0000 34300.1719 -149256.2242 299.5519 -183556.3960 -149163.3170 299.7498 5.8697 38.2463 556751.6940 7.1450 6.9851 PRESSURE: 4746600 107.903 60.304 -58.2809 60.3046 26.1944 152.524 -58.2814 152.523 -254.512 GPRESSURE: 4746600 105.975 87.9263 -24.2734 61.1925 91.0235 158.51 -108.986 113.797 -229.89 PRESSAVG: 4746600 29.4408 -1.08799 -45.4108 -1.08796 24.1922 49.3628 -45.4108 49.3628 -52.2988 GPRESSAVG: 4746600 29.9508 0.622873 -47.8773 -2.60897 24.0882 52.6028 -46.5615 48.387 -52.3761 TIMING: 4746600 CPU: 13793.4, 0.0029175/step Wall: 13793.4, 0.0029175/step, 0.205359 hours remaining, 208.398438 MB of memory in use. ENERGY: 4746600 784.5681 2046.8054 1939.2056 111.7829 -206580.1498 17934.2062 0.0000 0.0000 34346.6527 -149416.9290 299.9579 -183763.5817 -149317.4289 298.7630 -40.1382 -10.9640 557189.5769 0.4447 0.5543 PRESSURE: 4746800 0.965448 -230.071 -30.4459 -230.07 -90.1523 59.2805 -30.4461 59.2792 -21.5826 GPRESSURE: 4746800 87.4338 -137.634 -42.2257 -233.072 -144.145 25.2673 -36.7639 45.2592 50.7293 PRESSAVG: 4746800 86.6869 -26.99 -17.7415 -26.99 8.42741 82.508 -17.7415 82.5078 -76.9653 GPRESSAVG: 4746800 86.8022 -28.9023 -16.5806 -26.4772 8.93034 81.6688 -17.9901 80.9851 -77.6503 TIMING: 4746800 CPU: 13794, 0.00288227/step Wall: 13794, 0.00288227/step, 0.20272 hours remaining, 208.398438 MB of memory in use. ENERGY: 4746800 775.8806 2061.3544 1943.8040 108.3173 -206168.2162 17772.6909 0.0000 0.0000 34252.6440 -149253.5250 299.1369 -183506.1690 -149156.5766 298.5572 -36.9232 -1.9941 556842.3667 6.0497 6.0274 PRESSURE: 4747000 524.198 34.2313 129.691 34.2319 179.041 67.0489 129.69 67.0498 -10.0765 GPRESSURE: 4747000 562.542 -8.80547 110.474 58.9864 203.508 7.09218 131.48 59.9945 30.9906 PRESSAVG: 4747000 90.2094 0.856678 52.775 0.856687 -44.0627 -26.7122 52.775 -26.7122 -32.1179 GPRESSAVG: 4747000 89.1393 1.90945 52.9675 2.06025 -43.7235 -27.2986 53.7355 -26.3438 -31.5955 TIMING: 4747000 CPU: 13794.6, 0.00288145/step Wall: 13794.6, 0.00288145/step, 0.202502 hours remaining, 208.398438 MB of memory in use. ENERGY: 4747000 741.6655 2028.6165 1945.9676 109.0259 -206225.5401 17849.0137 0.0000 0.0000 34288.0455 -149263.2056 299.4460 -183551.2510 -149159.5137 298.9816 231.0542 265.6801 554740.9534 4.6762 4.6067 PRESSURE: 4747200 172.291 -155.849 -84.2162 -155.848 195.395 27.5559 -84.2156 27.556 -51.7278 GPRESSURE: 4747200 198.489 -237.092 19.5529 -107.495 233.937 -5.01773 -151.47 83.2735 -14.9535 PRESSAVG: 4747200 47.8562 -25.3135 75.8106 -25.3135 3.86351 6.67853 75.8106 6.6785 -35.117 GPRESSAVG: 4747200 48.4315 -27.4778 75.7514 -26.2102 3.18111 7.94569 77.8067 6.63214 -35.1301 TIMING: 4747200 CPU: 13795.2, 0.00289236/step Wall: 13795.2, 0.00289236/step, 0.203108 hours remaining, 208.398438 MB of memory in use. ENERGY: 4747200 772.0799 2047.7507 1935.0751 99.8571 -206284.6956 17907.4571 0.0000 0.0000 34322.7753 -149199.7003 299.7493 -183522.4755 -149104.6007 299.0619 105.3197 139.1576 556179.4735 5.5342 5.4942 PRESSURE: 4747400 137.464 -67.561 33.9417 -67.5611 -37.2827 -8.41624 33.941 -8.41813 -329.984 GPRESSURE: 4747400 155.838 -24.9853 74.074 -99.2885 -22.8523 -2.81219 41.2296 20.9064 -255.195 PRESSAVG: 4747400 5.8898 -34.1823 52.7368 -34.1824 -30.1362 -12.4191 52.7368 -12.4192 22.567 GPRESSAVG: 4747400 4.98487 -34.9748 53.9332 -34.2343 -29.5968 -14.2307 50.9559 -11.0188 23.2567 TIMING: 4747400 CPU: 13795.8, 0.00291705/step Wall: 13795.8, 0.00291705/step, 0.20468 hours remaining, 208.398438 MB of memory in use. ENERGY: 4747400 721.6594 2093.8207 1951.8803 101.6723 -205640.2975 17614.0066 0.0000 0.0000 34046.7615 -149110.4968 297.3388 -183157.2583 -149018.2142 299.0512 -76.6009 -40.7365 557280.8169 -0.5598 -0.4517 PRESSURE: 4747600 70.0263 -28.0357 27.8614 -28.0351 126.895 25.3951 27.8604 25.3936 -64.4719 GPRESSURE: 4747600 37.4481 -36.5622 -40.3904 -6.90689 169.802 -82.4287 70.0213 -23.2142 16.7414 PRESSAVG: 4747600 131.202 31.3335 -1.13933 31.3335 -39.2063 -8.94019 -1.13933 -8.94022 -96.0465 GPRESSAVG: 4747600 131.412 30.8453 -3.97148 30.8529 -39.3621 -7.73599 1.72842 -11.4462 -96.4194 TIMING: 4747600 CPU: 13796.3, 0.0028831/step Wall: 13796.3, 0.0028831/step, 0.202137 hours remaining, 208.398438 MB of memory in use. ENERGY: 4747600 757.6867 2090.4983 1979.3823 103.1725 -206423.8879 17849.6154 0.0000 0.0000 34427.2773 -149216.2553 300.6620 -183643.5326 -149103.9097 298.9750 44.1498 74.6639 557546.8909 -1.3502 -1.4566 PRESSURE: 4747800 -127.971 61.6731 -192.504 61.673 -153.067 117.786 -192.503 117.786 -85.2861 GPRESSURE: 4747800 -77.9681 80.0617 -189.025 28.4995 -130.969 156.816 -191.07 116.277 -56.7324 PRESSAVG: 4747800 30.6953 27.8717 -55.1437 27.8717 -63.3492 -28.7484 -55.1438 -28.7483 22.8124 GPRESSAVG: 4747800 32.0131 29.5346 -52.9739 27.7851 -63.6355 -28.7777 -59.4242 -26.9933 21.6904 TIMING: 4747800 CPU: 13796.9, 0.00290817/step Wall: 13796.9, 0.00290817/step, 0.203733 hours remaining, 208.398438 MB of memory in use. ENERGY: 4747800 755.0526 2079.0974 1944.0538 109.2494 -206029.3476 17638.5676 0.0000 0.0000 34105.0189 -149398.3078 297.8476 -183503.3268 -149297.4604 299.4304 -122.1079 -88.5565 557577.2841 -3.2805 -3.3107 PRESSURE: 4748000 98.5025 -98.4369 -108.239 -98.4375 -8.76902 6.71194 -108.24 6.71134 26.1298 GPRESSURE: 4748000 130.983 -85.6699 -73.8871 -107.765 18.3915 -23.9412 -90.4059 9.70876 61.7699 PRESSAVG: 4748000 0.724522 34.4871 17.0017 34.4871 -77.2274 -13.674 17.0017 -13.674 96.8103 GPRESSAVG: 4748000 -0.312902 34.1043 15.5306 34.043 -78.1018 -15.3925 19.6107 -14.0633 99.1235 TIMING: 4748000 CPU: 13797.5, 0.00288337/step Wall: 13797.5, 0.00288337/step, 0.201836 hours remaining, 208.398438 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: 4748000 727.0814 2018.8955 1952.3990 111.9210 -206502.0314 18048.1735 0.0000 0.0000 34248.5589 -149395.0020 299.1012 -183643.5610 -149295.7703 298.2722 38.6211 70.3813 557666.0928 6.7691 6.9029 PRESSURE: 4748200 -67.5575 -86.7749 120.456 -86.7748 -209.239 -58.4891 120.457 -58.4893 27.0877 GPRESSURE: 4748200 -95.8158 -89.4481 92.1261 -78.6709 -167.765 -71.6266 115.729 -141.536 106.295 PRESSAVG: 4748200 10.5273 0.412379 40.8253 0.41241 -77.7034 21.6593 40.8254 21.6594 50.2042 GPRESSAVG: 4748200 10.9765 -1.06145 40.1664 1.59375 -76.6071 20.7589 40.315 22.6384 49.521 TIMING: 4748200 CPU: 13798.1, 0.0029038/step Wall: 13798.1, 0.0029038/step, 0.203105 hours remaining, 208.398438 MB of memory in use. ENERGY: 4748200 721.5335 2065.4020 1948.4022 106.1213 -206272.9752 17678.8169 0.0000 0.0000 34309.0982 -149443.6010 299.6299 -183752.6993 -149350.2762 298.8236 -83.2364 -52.4288 557299.3741 -5.6573 -5.3699 LDB: ============= START OF LOAD BALANCING ============== 13801.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13801.5 LDB: =============== DONE WITH MIGRATION ================ 13801.5 LDB: ============= START OF LOAD BALANCING ============== 13801.8 LDB: Largest compute 4848 load 0.031124 is 26.4% of average load 0.117917 LDB: Average compute 0.001746 is 1.5% of average load 0.117917 LDB: TIME 13801.8 LOAD: AVG 0.117917 MAX 0.184429 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.906 MB LDB: TIME 13801.8 LOAD: AVG 0.117917 MAX 0.184429 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: TIME 13801.8 LOAD: AVG 0.117917 MAX 0.184429 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13801.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13801.8 PRESSURE: 4748400 -101.832 65.8681 81.62 65.8691 68.0304 2.61417 81.6189 2.61434 -182.64 GPRESSURE: 4748400 -70.318 55.9225 38.6035 88.4537 86.8315 -69.4305 28.8221 0.346093 -130.408 PRESSAVG: 4748400 18.7583 -14.8499 47.1664 -14.8499 -37.8183 10.2465 47.1662 10.2465 1.35292 GPRESSAVG: 4748400 17.8179 -12.4533 47.687 -16.1819 -37.5909 11.3392 47.2953 9.86707 2.13089 TIMING: 4748400 CPU: 13798.7, 0.00295358/step Wall: 13798.7, 0.00295358/step, 0.206422 hours remaining, 208.644531 MB of memory in use. ENERGY: 4748400 730.3891 2017.3794 1929.7407 121.1049 -206234.5634 17627.0352 0.0000 0.0000 34106.0102 -149702.9038 297.8563 -183808.9140 -149603.3971 297.8734 -72.1472 -37.9649 556882.8938 -5.9023 -5.8807 PRESSURE: 4748600 -359.175 79.3634 20.674 79.3642 11.3835 144.888 20.6743 144.888 39.0676 GPRESSURE: 4748600 -353.719 64.0426 56.5025 172.005 28.4279 146.933 29.7668 162.253 103.176 PRESSAVG: 4748600 -43.2618 18.7691 9.95548 18.7692 38.4474 81.1182 9.95548 81.118 -19.1428 GPRESSAVG: 4748600 -42.444 16.8461 9.14452 18.611 38.1905 82.7206 9.77622 80.9587 -19.423 TIMING: 4748600 CPU: 13799.3, 0.00290863/step Wall: 13799.3, 0.00290863/step, 0.20312 hours remaining, 208.644531 MB of memory in use. ENERGY: 4748600 736.6667 2064.0093 1950.2031 117.1893 -206338.1698 17777.4493 0.0000 0.0000 33922.7072 -149769.9449 296.2554 -183692.6521 -149678.9149 297.0496 -102.9079 -74.0383 557772.2862 -7.9858 -7.8921 PRESSURE: 4748800 -89.7739 -86.2054 -28.771 -86.2053 -172.274 301.103 -28.7718 301.104 -171.706 GPRESSURE: 4748800 -17.2553 -53.0673 -33.4007 0.149108 -178.558 184.656 -71.0467 321.308 -138.28 PRESSAVG: 4748800 -9.64134 -31.3027 13.3507 -31.3027 16.068 15.4038 13.3507 15.4038 -35.1758 GPRESSAVG: 4748800 -10.4136 -31.7524 15.4164 -28.7549 17.1259 14.1263 13.2087 16.3836 -34.9381 TIMING: 4748800 CPU: 13799.8, 0.00288413/step Wall: 13799.8, 0.00288413/step, 0.201248 hours remaining, 208.644531 MB of memory in use. ENERGY: 4748800 750.1802 2104.0264 1971.2114 109.9761 -206544.9024 17838.7401 0.0000 0.0000 33966.4741 -149804.2940 296.6377 -183770.7682 -149709.6780 297.3218 -144.5847 -111.3644 557491.1774 -9.5830 -9.4086 PRESSURE: 4749000 -141.041 43.4914 103.171 43.4918 -9.9499 -167.788 103.17 -167.789 -227.932 GPRESSURE: 4749000 -97.6313 -43.5125 77.8177 38.7947 -11.3373 -163.812 95.2828 -171.256 -167.039 PRESSAVG: 4749000 0.10638 32.8658 19.4088 32.8658 100.794 12.8032 19.4088 12.8031 -94.9132 GPRESSAVG: 4749000 0.287605 34.0454 19.1575 32.3276 100.181 14.2038 19.0535 12.4023 -94.1575 TIMING: 4749000 CPU: 13800.4, 0.00290146/step Wall: 13800.4, 0.00290146/step, 0.202297 hours remaining, 208.644531 MB of memory in use. ENERGY: 4749000 749.3558 2082.9810 1944.1306 128.4472 -206219.1918 17762.4298 0.0000 0.0000 34100.9927 -149450.8548 297.8125 -183551.8475 -149358.4941 297.8838 -126.3075 -92.0024 557434.3959 1.9958 2.1038 PRESSURE: 4749200 64.0383 -68.3009 -218.126 -68.301 -147.303 91.8031 -218.126 91.8031 22.6833 GPRESSURE: 4749200 80.2408 -156.049 -138.298 22.4333 -108.265 113.864 -234.053 110.802 62.0158 PRESSAVG: 4749200 -58.5665 -40.1422 -11.4994 -40.1422 37.6403 -22.615 -11.4993 -22.6149 100.661 GPRESSAVG: 4749200 -57.9067 -40.8936 -12.3078 -40.9952 37.4049 -23.6693 -11.6112 -21.2945 100.752 TIMING: 4749200 CPU: 13801, 0.00289214/step Wall: 13801, 0.00289214/step, 0.201486 hours remaining, 208.644531 MB of memory in use. ENERGY: 4749200 728.6794 2116.7834 1959.2782 115.9577 -206374.0697 17662.7998 0.0000 0.0000 34111.1877 -149679.3835 297.9015 -183790.5712 -149579.3417 297.8597 -20.1937 11.3306 557502.9044 26.5781 26.7500 PRESSURE: 4749400 -174.079 -0.988347 -19.1001 -0.987097 -112.835 -37.5912 -19.1012 -37.5909 -137.305 GPRESSURE: 4749400 -154.098 18.8984 -15.2462 -120.978 -57.1505 -79.8552 -66.055 16.7681 -114.855 PRESSAVG: 4749400 -37.0628 5.88767 -27.5162 5.88771 -55.6887 33.2777 -27.5163 33.2776 53.9529 GPRESSAVG: 4749400 -37.6164 7.92871 -27.5726 3.96955 -54.5019 35.2536 -26.9769 31.1689 53.1697 TIMING: 4749400 CPU: 13801.6, 0.00292881/step Wall: 13801.6, 0.00292881/step, 0.203878 hours remaining, 208.644531 MB of memory in use. ENERGY: 4749400 745.7112 2093.3752 1959.8351 118.1843 -206485.0710 17619.3161 0.0000 0.0000 34166.4170 -149782.2322 298.3838 -183948.6492 -149693.4837 297.9989 -141.4066 -108.7011 556305.3691 -12.9329 -12.9828 PRESSURE: 4749600 146.269 -47.7936 74.9537 -47.7936 -229.998 -19.8581 74.9531 -19.8574 -166.347 GPRESSURE: 4749600 122.26 -116.246 77.9315 -29.6205 -161.337 -75.7238 67.6337 18.8069 -110.704 PRESSAVG: 4749600 15.4996 14.5412 -26.2601 14.5412 -39.516 -59.0303 -26.2601 -59.0303 59.745 GPRESSAVG: 4749600 16.0865 13.8793 -27.2702 14.925 -39.8364 -57.5015 -27.1546 -58.9601 59.5911 TIMING: 4749600 CPU: 13802.2, 0.0029196/step Wall: 13802.2, 0.0029196/step, 0.203075 hours remaining, 208.644531 MB of memory in use. ENERGY: 4749600 761.4056 2050.8538 1956.0151 115.6806 -206566.3180 17882.3049 0.0000 0.0000 34068.6895 -149731.3686 297.5303 -183800.0581 -149638.9648 297.6145 -83.3586 -49.9270 557170.1994 11.9095 11.9471 PRESSURE: 4749800 -64.384 -58.3669 -83.3052 -58.3663 -133.941 -20.0267 -83.3059 -20.0253 -306.075 GPRESSURE: 4749800 -28.3451 -52.4234 -41.4018 -39.7615 -134.665 47.4649 -72.3888 -32.5754 -251.064 PRESSAVG: 4749800 19.214 -7.41249 8.134 -7.41243 14.8632 -7.81087 8.13418 -7.81096 -38.079 GPRESSAVG: 4749800 18.8689 -8.44732 10.039 -5.64869 15.2939 -11.7601 8.57394 -7.23963 -37.9593 TIMING: 4749800 CPU: 13802.7, 0.00288363/step Wall: 13802.7, 0.00288363/step, 0.200412 hours remaining, 208.789062 MB of memory in use. ENERGY: 4749800 714.0931 2114.0619 1954.8709 116.1496 -206209.2609 17523.9638 0.0000 0.0000 34078.5230 -149707.5987 297.6162 -183786.1216 -149614.7584 296.8412 -168.1334 -138.0245 558453.5048 -1.3340 -1.2655 PRESSURE: 4750000 -54.3502 52.469 -145.8 52.4686 123.487 111.01 -145.801 111.011 -335.501 GPRESSURE: 4750000 3.32694 22.1033 -132.488 -23.3475 164.465 145.293 -163.066 91.8682 -327.132 PRESSAVG: 4750000 10.7437 20.2336 43.1768 20.2337 34.4552 6.03967 43.1768 6.03965 -45.6137 GPRESSAVG: 4750000 10.3512 18.5653 42.5466 20.6366 34.1951 8.4812 42.5157 5.48341 -44.8978 TIMING: 4750000 CPU: 13803.3, 0.00288977/step Wall: 13803.3, 0.00288977/step, 0.200678 hours remaining, 208.789062 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: 4750000 780.4219 2113.0719 1952.2442 103.8598 -206539.3277 17762.8983 0.0000 0.0000 34130.7596 -149696.0720 298.0724 -183826.8316 -149605.9265 297.3064 -88.7878 -53.1133 555885.7402 -0.1383 -0.1172 PRESSURE: 4750200 -272.743 -23.8705 -79.7346 -23.8701 68.8127 -35.6275 -79.7344 -35.6274 -454.103 GPRESSURE: 4750200 -235.913 -4.18242 -46.4079 47.9387 96.2983 -6.40948 -131.788 -83.9013 -412.452 PRESSAVG: 4750200 -31.6426 10.0287 6.98844 10.0288 11.7031 1.28643 6.98842 1.28648 -28.306 GPRESSAVG: 4750200 -30.7927 11.9516 5.75621 8.39727 11.1655 1.0733 8.60036 -0.0312633 -29.1217 TIMING: 4750200 CPU: 13803.9, 0.00287779/step Wall: 13803.9, 0.00287779/step, 0.199687 hours remaining, 208.789062 MB of memory in use. ENERGY: 4750200 755.4034 2067.1672 1951.5024 124.1606 -206246.2992 17571.9362 0.0000 0.0000 34154.9144 -149621.2151 298.2834 -183776.1295 -149530.8554 297.4159 -219.3444 -184.0223 556607.0658 -16.0819 -16.2496 PRESSURE: 4750400 63.432 -114.797 48.6539 -114.797 61.2085 -199.415 48.655 -199.416 -249.642 GPRESSURE: 4750400 113.54 -173.913 35.7469 -150.401 62.0369 -186.142 -24.881 -167.983 -195.954 PRESSAVG: 4750400 30.7394 30.7576 -13.6653 30.7576 -18.412 8.59075 -13.6653 8.59086 18.2851 GPRESSAVG: 4750400 30.4893 30.6885 -12.8645 32.5281 -18.8638 6.45183 -15.2726 11.1402 18.142 TIMING: 4750400 CPU: 13804.5, 0.00288322/step Wall: 13804.5, 0.00288322/step, 0.199903 hours remaining, 208.789062 MB of memory in use. ENERGY: 4750400 740.0064 2110.5732 1950.2214 120.1203 -206743.7603 17890.4496 0.0000 0.0000 34437.2471 -149495.1423 300.7490 -183932.3894 -149407.3223 298.1387 -41.6673 -6.7924 555852.3806 10.2042 9.9225 PRESSURE: 4750600 -35.2723 132.92 150.153 132.919 -139.149 -12.5877 150.153 -12.5861 -90.5255 GPRESSURE: 4750600 -56.3791 158.585 126.306 73.7719 -26.0531 -26.4218 137.978 -44.9096 -75.565 PRESSAVG: 4750600 -23.5183 -1.84359 19.1746 -1.84352 -68.8547 -9.17364 19.1746 -9.17374 117.841 GPRESSAVG: 4750600 -24.2987 -1.36775 20.6388 -3.23469 -68.086 -7.90686 17.8857 -10.2149 117.855 TIMING: 4750600 CPU: 13805, 0.00289668/step Wall: 13805, 0.00289668/step, 0.200676 hours remaining, 208.789062 MB of memory in use. ENERGY: 4750600 715.2438 2101.7725 1937.8142 105.6962 -206643.8637 17707.7582 0.0000 0.0000 34262.1016 -149813.4771 299.2195 -184075.5787 -149719.1934 298.0646 -88.3155 -52.6657 555837.2534 8.4892 8.4901 PRESSURE: 4750800 24.3252 33.1516 64.1888 33.1505 71.3285 -74.2516 64.1885 -74.2518 -73.982 GPRESSURE: 4750800 40.5919 -0.0963739 14.5312 -21.8022 108.18 -95.7225 -10.6435 -59.2084 -15.82 PRESSAVG: 4750800 10.6768 -0.80227 18.6713 -0.802351 -15.009 -4.63171 18.6713 -4.63175 52.0925 GPRESSAVG: 4750800 10.9102 -0.726435 17.6906 0.617917 -14.4898 -3.19961 19.8289 -4.96636 51.8228 TIMING: 4750800 CPU: 13805.6, 0.00290304/step Wall: 13805.6, 0.00290304/step, 0.200955 hours remaining, 208.789062 MB of memory in use. ENERGY: 4750800 720.9204 2079.5643 1957.9563 113.1528 -206807.4732 17971.7418 0.0000 0.0000 34262.1805 -149701.9571 299.2201 -183964.1377 -149605.1906 297.7470 7.2239 44.3174 556632.0077 15.9201 16.0811 PRESSURE: 4751000 77.9786 -19.1889 35.5836 -19.1899 205.458 40.8122 35.5833 40.8119 -13.5036 GPRESSURE: 4751000 135.738 9.72483 1.03113 -33.0248 279.913 25.3625 26.7344 80.7151 -51.0495 PRESSAVG: 4751000 -11.5707 -5.19328 3.89334 -5.19334 42.0279 -49.7064 3.89334 -49.7064 -55.6497 GPRESSAVG: 4751000 -11.8418 -6.53841 2.23334 -6.37751 42.3851 -51.6528 5.53374 -47.9921 -56.0889 TIMING: 4751000 CPU: 13806.2, 0.00287779/step Wall: 13806.2, 0.00287779/step, 0.199047 hours remaining, 208.789062 MB of memory in use. ENERGY: 4751000 701.3966 2097.2950 1953.5571 110.1760 -206654.9027 18131.3312 0.0000 0.0000 33968.8844 -149692.2624 296.6587 -183661.1468 -149592.5918 297.8902 89.9776 121.5337 557607.2334 -8.3975 -8.5152 PRESSURE: 4751200 99.4193 83.2182 -2.25849 83.218 -195.305 50.4959 -2.25805 50.4941 -313.474 GPRESSURE: 4751200 75.8488 160.095 -76.0243 43.9347 -146.703 37.8756 8.31934 37.8696 -257.778 PRESSAVG: 4751200 85.7539 37.2107 3.98125 37.2107 10.2599 -7.86536 3.98118 -7.86529 -49.0499 GPRESSAVG: 4751200 85.4062 38.1528 4.67835 37.2359 10.0933 -7.48508 4.15218 -10.7749 -48.7291 TIMING: 4751200 CPU: 13806.8, 0.0028876/step Wall: 13806.8, 0.0028876/step, 0.199565 hours remaining, 208.789062 MB of memory in use. ENERGY: 4751200 762.0247 2121.3486 1958.6929 125.1460 -206464.9617 17780.9555 0.0000 0.0000 34124.4124 -149592.3815 298.0170 -183716.7939 -149496.6095 297.7145 -136.4531 -109.5439 557514.1501 15.6546 15.5901 PRESSURE: 4751400 -306.918 90.1844 -27.1571 90.1843 99.7156 -9.98033 -27.1578 -9.97984 46.0924 GPRESSURE: 4751400 -289.043 56.0075 -0.511986 105.799 129.102 -48.0347 10.8028 -45.2836 83.9308 PRESSAVG: 4751400 -23.2826 -55.5162 13.901 -55.5163 -3.28394 -30.9676 13.9011 -30.9675 23.704 GPRESSAVG: 4751400 -23.0925 -56.1524 14.0821 -55.9456 -3.5295 -31.0025 15.0247 -30.574 23.6518 TIMING: 4751400 CPU: 13807.4, 0.0028969/step Wall: 13807.4, 0.0028969/step, 0.200047 hours remaining, 208.789062 MB of memory in use. ENERGY: 4751400 733.1356 2115.1049 1955.3447 127.5417 -206592.3126 17938.5895 0.0000 0.0000 34166.6108 -149555.9854 298.3855 -183722.5963 -149466.0668 297.8490 -53.7032 -25.3368 556382.0286 -0.9542 -0.9901 PRESSURE: 4751600 163.307 -115.41 65.2389 -115.408 -3.00895 181.185 65.2389 181.186 49.5392 GPRESSURE: 4751600 177.158 -135.079 60.7243 -67.9108 36.4558 189.039 78.5454 144.534 84.1292 PRESSAVG: 4751600 3.54996 -14.262 -22.5385 -14.2621 2.5088 17.2433 -22.5385 17.2433 -9.81658 GPRESSAVG: 4751600 4.62653 -14.0596 -21.0043 -13.1183 2.14644 17.122 -24.8945 18.6519 -9.92758 TIMING: 4751600 CPU: 13807.9, 0.00288929/step Wall: 13807.9, 0.00288929/step, 0.199361 hours remaining, 208.789062 MB of memory in use. ENERGY: 4751600 704.4758 2020.4440 1934.8426 111.7723 -206419.7513 18049.8052 0.0000 0.0000 34090.5541 -149507.8573 297.7213 -183598.4114 -149412.0441 297.3781 69.9458 99.2477 559400.8541 -1.2526 -1.0515 PRESSURE: 4751800 -219.923 -29.1219 -79.1561 -29.1194 -98.6259 -37.4916 -79.1556 -37.4899 -272.401 GPRESSURE: 4751800 -181.24 -30.7935 -120.116 -78.292 -43.6942 -60.1261 -58.2324 -104.075 -266.715 PRESSAVG: 4751800 -35.0539 -28.5503 28.6325 -28.5504 -8.08862 -0.072642 28.6324 -0.0726701 46.4172 GPRESSAVG: 4751800 -36.0163 -29.4656 29.0837 -29.7058 -6.97031 1.30583 29.5179 -2.33098 46.0789 TIMING: 4751800 CPU: 13808.5, 0.00287569/step Wall: 13808.5, 0.00287569/step, 0.198263 hours remaining, 208.789062 MB of memory in use. ENERGY: 4751800 736.5787 2082.3188 1915.3652 113.9776 -206387.0153 17739.2157 0.0000 0.0000 34263.3198 -149536.2394 299.2301 -183799.5592 -149436.9428 298.3910 -196.9833 -163.8833 559013.5107 1.0916 1.0308 PRESSURE: 4752000 -312.339 -61.2163 49.2529 -61.2164 -220.543 145.324 49.2506 145.323 -45.5803 GPRESSURE: 4752000 -280.076 -40.7722 -44.5851 -112.078 -169.046 251.089 5.94108 101.086 -28.0102 PRESSAVG: 4752000 -8.92951 -28.1935 38.2006 -28.1936 2.43889 3.49664 38.2006 3.49677 45.4213 GPRESSAVG: 4752000 -8.70703 -26.6215 36.0133 -27.7048 1.6532 4.01772 39.4498 3.26334 45.4988 TIMING: 4752000 CPU: 13809.1, 0.00289322/step Wall: 13809.1, 0.00289322/step, 0.199311 hours remaining, 208.789062 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: 4752000 761.2230 2066.5739 1949.3455 112.1100 -206287.8585 17772.9155 0.0000 0.0000 34097.6414 -149528.0491 297.7832 -183625.6905 -149427.6989 298.3562 -192.8208 -159.0440 558690.9235 12.9769 12.8150 PRESSURE: 4752200 97.0396 -93.3925 -122.323 -93.3928 20.1288 -123.989 -122.323 -123.988 -98.7003 GPRESSURE: 4752200 101.655 -111.601 -88.305 -74.4698 38.352 -100.68 -8.95036 -121.441 -20.7033 PRESSAVG: 4752200 13.2501 -12.5734 39.4618 -12.5733 4.22487 -5.04813 39.4618 -5.04817 23.721 GPRESSAVG: 4752200 12.3914 -14.6407 40.9782 -12.3188 4.86572 -4.50856 40.5465 -4.54003 24.1744 TIMING: 4752200 CPU: 13809.7, 0.00291529/step Wall: 13809.7, 0.00291529/step, 0.200669 hours remaining, 208.789062 MB of memory in use. ENERGY: 4752200 765.3343 2167.8545 1924.6139 101.3288 -206620.0475 17956.5705 0.0000 0.0000 34253.3206 -149451.0250 299.1428 -183704.3456 -149355.7035 298.7866 6.1560 39.7678 558211.9485 13.7320 13.8105 LDB: ============= START OF LOAD BALANCING ============== 13813.1 LDB: ============== END OF LOAD BALANCING =============== 13813.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13813.1 LDB: ============= START OF LOAD BALANCING ============== 13813.4 LDB: Largest compute 4848 load 0.032528 is 27.6% of average load 0.117824 LDB: Average compute 0.001739 is 1.5% of average load 0.117824 LDB: TIME 13813.4 LOAD: AVG 0.117824 MAX 0.182442 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 13813.4 LOAD: AVG 0.117824 MAX 0.182442 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 13813.4 LOAD: AVG 0.117824 MAX 0.182442 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 13813.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13813.4 PRESSURE: 4752400 -281.509 19.1276 -14.0705 19.1277 -115.293 -41.6395 -14.07 -41.6395 49.125 GPRESSURE: 4752400 -246.854 20.03 47.6923 28.8255 -86.97 -27.0662 -85.1811 -87.282 81.9995 PRESSAVG: 4752400 -21.1813 -49.9892 -17.1976 -49.9892 -16.8695 -20.3037 -17.1976 -20.3038 -1.04452 GPRESSAVG: 4752400 -19.8038 -51.2282 -19.3677 -48.5101 -17.9562 -20.7346 -18.5967 -20.338 -1.10704 TIMING: 4752400 CPU: 13810.3, 0.00298485/step Wall: 13810.3, 0.00298485/step, 0.205292 hours remaining, 207.835938 MB of memory in use. ENERGY: 4752400 760.9014 2063.2133 1931.8850 113.0694 -206124.2663 17746.8640 0.0000 0.0000 34269.3680 -149238.9651 299.2829 -183508.3331 -149141.0046 298.4139 -115.8923 -83.9416 558811.0790 -13.0318 -12.9557 PRESSURE: 4752600 -109.676 58.8684 -235.545 58.8677 50.4543 46.0541 -235.545 46.0534 162.252 GPRESSURE: 4752600 -68.1187 -52.5395 -165.476 154.648 92.2906 28.9313 -125.962 50.7828 172.839 PRESSAVG: 4752600 -58.3183 -17.25 -3.96236 -17.2499 -32.2004 -5.09133 -3.96234 -5.09132 22.9621 GPRESSAVG: 4752600 -59.4053 -15.2162 0.0456791 -19.8904 -31.6512 -4.74868 -5.12513 -3.09339 23.4537 TIMING: 4752600 CPU: 13810.9, 0.00292156/step Wall: 13810.9, 0.00292156/step, 0.200776 hours remaining, 208.296875 MB of memory in use. ENERGY: 4752600 800.8575 2106.9958 1956.0022 114.7369 -206305.4866 17905.8015 0.0000 0.0000 34239.1088 -149181.9839 299.0187 -183421.0927 -149092.3472 299.3254 34.3435 65.6702 558209.8572 -22.5189 -22.5343 PRESSURE: 4752800 314.095 -101.493 -105.169 -101.493 485.325 117.731 -105.171 117.731 42.0244 GPRESSURE: 4752800 339.772 -59.5759 -39.5656 -143.436 459.093 79.6311 -148.52 162.153 144.436 PRESSAVG: 4752800 118.028 -18.4039 -14.8742 -18.4039 -35.785 -12.2046 -14.8742 -12.2046 -95.5714 GPRESSAVG: 4752800 118.384 -18.8615 -15.8703 -18.5495 -35.868 -15.3532 -14.4245 -11.7337 -95.5929 TIMING: 4752800 CPU: 13811.4, 0.00293009/step Wall: 13811.4, 0.00293009/step, 0.2012 hours remaining, 208.296875 MB of memory in use. ENERGY: 4752800 740.1877 2134.6159 1946.5974 129.4540 -207151.5158 18412.3993 0.0000 0.0000 34478.0967 -149310.1648 301.1058 -183788.2614 -149213.9409 299.7378 280.4814 314.4335 556533.5958 -4.4427 -4.3589 PRESSURE: 4753000 197.883 72.8653 -17.1942 72.8657 193.015 97.5752 -17.1938 97.5759 128.289 GPRESSURE: 4753000 257.714 56.6433 12.7053 86.0474 235.177 77.6416 29.2567 126.252 124.736 PRESSAVG: 4753000 56.5342 -12.5869 -28.6076 -12.5869 35.7644 31.9987 -28.6076 31.9988 -34.2593 GPRESSAVG: 4753000 56.5753 -13.2616 -27.743 -11.8526 36.8434 34.8179 -29.8982 30.3373 -34.7858 TIMING: 4753000 CPU: 13812, 0.00291532/step Wall: 13812, 0.00291532/step, 0.200023 hours remaining, 208.296875 MB of memory in use. ENERGY: 4753000 744.6575 2131.9048 1969.8869 106.0086 -206944.4888 18118.8046 0.0000 0.0000 34394.1046 -149479.1217 300.3723 -183873.2263 -149387.9825 299.5005 173.0625 205.8754 555423.2803 19.3465 19.5443 PRESSURE: 4753200 -74.3252 46.67 -25.5984 46.6692 24.8878 38.7779 -25.6001 38.7784 0.358277 GPRESSURE: 4753200 -24.9697 38.268 -49.2144 70.2498 53.621 -26.4283 -41.3106 57.1937 31.1322 PRESSAVG: 4753200 59.364 -0.443329 -30.1481 -0.443391 23.9228 30.4101 -30.1481 30.4103 -51.5414 GPRESSAVG: 4753200 59.9442 2.1956 -30.3667 -0.00264965 22.9709 29.3035 -28.2963 29.7234 -51.2718 TIMING: 4753200 CPU: 13812.6, 0.00289989/step Wall: 13812.6, 0.0028999/step, 0.198804 hours remaining, 208.296875 MB of memory in use. ENERGY: 4753200 721.7643 2076.4512 1952.9985 106.4921 -206379.6177 17667.7979 0.0000 0.0000 34362.2274 -149491.8864 300.0939 -183854.1138 -149392.3511 298.3182 -16.3597 19.9278 555024.6709 10.5818 10.5478 PRESSURE: 4753400 205.338 16.5886 128.968 16.5885 123.161 -122.056 128.969 -122.055 -59.9766 GPRESSURE: 4753400 234.497 13.2158 173.526 12.113 177.727 -68.5608 138.233 -83.5012 -47.4143 PRESSAVG: 4753400 43.4367 53.6237 36.322 53.6236 -39.9971 -22.4651 36.3219 -22.4651 -6.82666 GPRESSAVG: 4753400 43.3334 51.5782 35.0782 56.3511 -40.0463 -22.8548 35.9416 -22.9934 -7.0374 TIMING: 4753400 CPU: 13813.2, 0.00288826/step Wall: 13813.2, 0.00288826/step, 0.197845 hours remaining, 208.296875 MB of memory in use. ENERGY: 4753400 771.3223 2097.9514 1970.4962 107.9606 -206788.4959 18125.0481 0.0000 0.0000 34222.8795 -149492.8378 298.8769 -183715.7173 -149401.1087 298.4189 89.5074 121.6033 555911.2062 -1.1290 -1.2501 PRESSURE: 4753600 64.7067 -24.6398 -41.144 -24.6405 30.7211 13.159 -41.1425 13.1602 43.4118 GPRESSURE: 4753600 67.0219 28.1569 15.3674 -22.6668 119.5 20.5819 -66.3095 -6.41702 52.5316 PRESSAVG: 4753600 -11.7014 -41.7376 -43.6304 -41.7376 82.4023 -31.9913 -43.6303 -31.9912 -21.3246 GPRESSAVG: 4753600 -12.2413 -40.5192 -43.5045 -42.5397 83.0019 -30.5031 -44.3729 -31.6135 -21.4386 TIMING: 4753600 CPU: 13813.8, 0.00288325/step Wall: 13813.8, 0.00288325/step, 0.197343 hours remaining, 208.296875 MB of memory in use. ENERGY: 4753600 729.0430 2117.7971 1962.5633 111.5506 -206735.0418 17975.6836 0.0000 0.0000 34270.0795 -149568.3247 299.2891 -183838.4042 -149468.8531 298.4578 46.2799 79.6846 556984.5639 16.4588 16.4406 PRESSURE: 4753800 -9.46333 -102.68 75.6356 -102.68 -67.7161 18.4162 75.6352 18.4168 188.688 GPRESSURE: 4753800 68.1664 -82.4022 45.8331 -75.0998 -67.9894 49.7858 63.4859 17.5311 214.271 PRESSAVG: 4753800 44.89 -54.7696 -12.5212 -54.7696 -55.5061 -2.29459 -12.5212 -2.29458 -6.253 GPRESSAVG: 4753800 44.744 -55.7935 -13.3886 -58.0537 -55.6167 -1.85574 -11.7017 -3.17397 -5.7111 TIMING: 4753800 CPU: 13814.3, 0.00289927/step Wall: 13814.3, 0.00289927/step, 0.198278 hours remaining, 208.296875 MB of memory in use. ENERGY: 4753800 740.4269 2103.7804 1950.7201 119.3431 -206697.0201 17992.1912 0.0000 0.0000 34300.1451 -149490.4134 299.5517 -183790.5585 -149396.2942 298.5866 37.1696 71.4828 555955.8481 -5.6230 -5.5279 PRESSURE: 4754000 189.282 214.615 -81.6715 214.616 -30.5057 -243.291 -81.6711 -243.288 252.816 GPRESSURE: 4754000 227.454 209.295 -142.364 297.212 21.703 -258.765 -107.903 -163.589 262.072 PRESSAVG: 4754000 58.9786 -32.5268 -22.7773 -32.5268 18.0957 -24.4372 -22.7773 -24.4371 -47.7256 GPRESSAVG: 4754000 59.6216 -31.6369 -23.0194 -30.5219 16.9271 -26.5047 -21.6247 -21.3071 -47.4323 TIMING: 4754000 CPU: 13814.9, 0.00292355/step Wall: 13814.9, 0.00292355/step, 0.199776 hours remaining, 208.296875 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: 4754000 702.5329 2114.7608 1948.6024 111.8626 -206449.5361 17942.8007 0.0000 0.0000 34181.1815 -149447.7952 298.5128 -183628.9766 -149355.3461 299.3874 137.1975 170.4099 557004.0980 9.7829 9.7055 PRESSURE: 4754200 24.9294 -60.9356 -72.6856 -60.9358 -213.065 -102.431 -72.6864 -102.43 165.486 GPRESSURE: 4754200 9.98788 -137.75 -83.5554 -44.9587 -105.815 -52.3121 -86.3622 -103.278 168.723 PRESSAVG: 4754200 43.2792 20.5841 -53.7156 20.5842 -75.5063 -7.57635 -53.7156 -7.57642 32.579 GPRESSAVG: 4754200 44.0311 18.8928 -53.0477 21.2206 -75.4171 -7.11559 -54.8769 -9.60575 31.2742 TIMING: 4754200 CPU: 13815.5, 0.00293666/step Wall: 13815.5, 0.00293666/step, 0.200509 hours remaining, 208.296875 MB of memory in use. ENERGY: 4754200 759.1847 2100.5281 1945.2461 103.9602 -206195.1425 17938.2014 0.0000 0.0000 34078.3601 -149269.6619 297.6148 -183348.0220 -149181.2724 299.1428 -7.5498 24.2989 558990.8416 0.1173 -0.0372 PRESSURE: 4754400 -78.2572 -16.1456 -207.241 -16.1459 84.1586 108.208 -207.242 108.208 3.81499 GPRESSURE: 4754400 -57.1854 -102.317 -145.367 52.937 152.566 120.434 -142.712 63.7964 24.423 PRESSAVG: 4754400 21.5574 -5.5889 21.4514 -5.58899 -13.3691 -9.37814 21.4514 -9.37813 42.5625 GPRESSAVG: 4754400 19.9163 -5.62906 19.4598 -6.48992 -12.4549 -10.7423 22.8338 -8.07503 42.6495 TIMING: 4754400 CPU: 13816.1, 0.00288668/step Wall: 13816.1, 0.00288668/step, 0.196936 hours remaining, 208.296875 MB of memory in use. ENERGY: 4754400 785.0937 2095.0068 1975.5222 107.9649 -206149.6982 17945.8420 0.0000 0.0000 34296.4215 -148943.8470 299.5192 -183240.2685 -148850.7221 299.5592 3.2388 39.9344 558206.8155 16.9169 16.7036 PRESSURE: 4754600 14.9597 -75.2987 54.6219 -75.2977 -322.488 252.453 54.6207 252.452 -324.986 GPRESSURE: 4754600 18.1479 -150.903 89.4227 -19.4132 -293.962 257.247 72.8654 197.935 -277.989 PRESSAVG: 4754600 -15.2457 -11.5547 -24.1185 -11.5547 -23.0448 -5.82558 -24.1185 -5.82559 8.50698 GPRESSAVG: 4754600 -15.203 -8.93497 -23.2925 -13.5487 -24.2267 -6.24051 -24.8232 -7.39111 10.0203 TIMING: 4754600 CPU: 13816.7, 0.00289477/step Wall: 13816.7, 0.00289477/step, 0.197327 hours remaining, 208.371094 MB of memory in use. ENERGY: 4754600 759.9163 2076.5082 1969.7953 116.6047 -205728.1739 17579.8832 0.0000 0.0000 34233.0470 -148992.4192 298.9657 -183225.4661 -148894.5057 299.7173 -210.8382 -184.6010 559270.8732 -9.9278 -9.8031 PRESSURE: 4754800 -1.45551 -77.5184 175.278 -77.5179 48.9247 23.4911 175.278 23.4926 -76.6848 GPRESSURE: 4754800 5.11649 -138.376 143.094 -68.1752 87.5695 63.9764 169.781 0.201544 -30.3289 PRESSAVG: 4754800 -26.5335 33.4984 7.88277 33.4985 -15.837 -15.3735 7.88276 -15.3734 20.1647 GPRESSAVG: 4754800 -25.8489 31.3235 9.89109 36.8048 -15.6726 -13.9993 6.66507 -13.7228 19.5557 TIMING: 4754800 CPU: 13817.2, 0.00292656/step Wall: 13817.2, 0.00292656/step, 0.199331 hours remaining, 208.371094 MB of memory in use. ENERGY: 4754800 766.7079 2086.5074 1968.9487 111.1479 -205893.9634 17736.8000 0.0000 0.0000 34278.8071 -148945.0445 299.3653 -183223.8516 -148851.8011 300.2071 -9.7385 20.7857 556893.1822 -7.4019 -7.3219 PRESSURE: 4755000 4.29337 -143.648 162.807 -143.65 297.083 -3.61228 162.807 -3.61294 140.69 GPRESSURE: 4755000 87.5362 -63.1173 90.1957 -106.859 277.29 -68.2384 186.715 -31.4819 169.222 PRESSAVG: 4755000 16.6059 7.5174 23.2847 7.51738 36.9334 -8.38989 23.2847 -8.38981 -8.77325 GPRESSAVG: 4755000 17.7103 8.98539 21.2146 8.08801 36.4555 -9.06074 22.9785 -9.14989 -8.97944 TIMING: 4755000 CPU: 13817.8, 0.00290884/step Wall: 13817.8, 0.00290884/step, 0.197963 hours remaining, 208.371094 MB of memory in use. ENERGY: 4755000 721.2785 2060.4084 1930.9346 98.9215 -206120.4619 18004.2586 0.0000 0.0000 34234.5545 -149070.1058 298.9789 -183304.6603 -148970.9224 299.9712 147.3555 178.0161 557964.1288 14.9220 15.0621 PRESSURE: 4755200 -120.354 -68.0068 -196.393 -68.0066 -174.6 -16.6832 -196.392 -16.6831 -196.845 GPRESSURE: 4755200 -62.5494 -66.5408 -153.101 -38.3914 -146.493 -58.3523 -228.203 37.2183 -174.054 PRESSAVG: 4755200 -11.8413 -22.0179 -5.24572 -22.0178 4.3784 29.0318 -5.24572 29.0317 14.3123 GPRESSAVG: 4755200 -13.3626 -21.2007 -6.74665 -23.7323 5.97485 31.1236 -2.26208 28.0638 14.0646 TIMING: 4755200 CPU: 13818.4, 0.00291261/step Wall: 13818.4, 0.00291261/step, 0.198058 hours remaining, 208.371094 MB of memory in use. ENERGY: 4755200 754.0068 2063.0002 1948.2557 107.1863 -206195.8573 17793.7584 0.0000 0.0000 34533.8169 -148995.8331 301.5924 -183529.6500 -148890.4017 299.7334 -163.9328 -127.6987 558888.0981 2.2831 2.2256 PRESSURE: 4755400 119.091 4.76276 -68.5527 4.7628 -134.032 93.6734 -68.554 93.6732 201.087 GPRESSURE: 4755400 130.988 12.6139 -47.9064 23.6414 -87.7859 26.0765 -137.759 38.3937 243.229 PRESSAVG: 4755400 17.24 -6.35191 -20.5527 -6.35184 3.18217 -15.7086 -20.5527 -15.7086 -22.3534 GPRESSAVG: 4755400 17.3167 -6.68939 -17.8628 -6.65044 3.83087 -17.5668 -22.2433 -15.2859 -22.3698 TIMING: 4755400 CPU: 13819, 0.00291901/step Wall: 13819, 0.00291901/step, 0.198331 hours remaining, 208.371094 MB of memory in use. ENERGY: 4755400 733.4410 2110.0997 1971.4120 118.5540 -206526.7100 18029.7062 0.0000 0.0000 34457.9718 -149105.5254 300.9300 -183563.4972 -149010.7673 300.4124 62.0486 95.4773 557923.9133 -0.6437 -0.4074 PRESSURE: 4755600 83.3917 51.7931 43.1579 51.7943 67.7714 50.8688 43.1577 50.8674 26.8505 GPRESSURE: 4755600 115.66 29.4248 132.128 19.9901 105.232 34.3252 -38.2774 56.4806 44.0434 PRESSAVG: 4755600 3.96232 -24.5321 5.16799 -24.5322 2.50439 -36.1927 5.168 -36.1928 1.81481 GPRESSAVG: 4755600 3.15544 -25.1076 6.63865 -25.1576 2.21634 -33.7832 3.85096 -38.0741 2.34578 TIMING: 4755600 CPU: 13819.6, 0.00289288/step Wall: 13819.6, 0.00289288/step, 0.196394 hours remaining, 208.371094 MB of memory in use. ENERGY: 4755600 732.0748 2092.6371 1950.6162 108.3856 -206304.6882 17905.2183 0.0000 0.0000 34367.0289 -149148.7272 300.1358 -183515.7561 -149051.4499 299.7550 59.3379 88.3119 557472.4284 2.7605 2.5725 PRESSURE: 4755800 216.279 62.6699 10.5269 62.6704 -97.8889 30.5131 10.5265 30.5116 84.0728 GPRESSURE: 4755800 212.451 -45.7454 41.6624 130.17 -40.7607 27.7918 5.41072 62.0822 112.459 PRESSAVG: 4755800 -29.324 16.4052 49.0314 16.4052 -12.2932 -4.00868 49.0314 -4.00856 16.555 GPRESSAVG: 4755800 -27.1298 17.2735 48.4277 16.2702 -13.4937 -5.06083 49.756 -3.06652 15.9689 TIMING: 4755800 CPU: 13820.2, 0.0029028/step Wall: 13820.2, 0.0029028/step, 0.196907 hours remaining, 208.371094 MB of memory in use. ENERGY: 4755800 730.3523 2155.7088 1932.9110 111.0471 -206328.0621 17967.0185 0.0000 0.0000 34207.0400 -149223.9845 298.7386 -183431.0245 -149135.0081 299.1803 67.4878 94.7162 556737.7047 -8.3541 -8.2182 PRESSURE: 4756000 35.0675 4.64093 85.8164 4.64036 -88.6569 21.4738 85.8149 21.4725 126.904 GPRESSURE: 4756000 10.3627 -51.1494 52.462 71.3829 -59.317 54.1919 103.968 54.4764 225.486 PRESSAVG: 4756000 -35.2043 -40.5805 -37.3181 -40.5805 -20.8626 37.5599 -37.3181 37.5599 60.6369 GPRESSAVG: 4756000 -34.9516 -40.7415 -39.6903 -38.7945 -20.1803 38.1805 -36.2516 37.7046 59.7281 TIMING: 4756000 CPU: 13820.7, 0.00290643/step Wall: 13820.7, 0.00290643/step, 0.196991 hours remaining, 208.371094 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: 4756000 722.1673 2051.1964 1959.2735 116.5992 -206110.1573 17831.2994 0.0000 0.0000 34174.3590 -149255.2626 298.4532 -183429.6215 -149156.3849 299.3198 24.4382 58.8440 555810.1031 1.5233 1.5320 PRESSURE: 4756200 -263.806 -9.83341 -176.641 -9.83369 237.498 -68.1098 -176.642 -68.1116 -66.3547 GPRESSURE: 4756200 -213.382 7.5967 -196.926 -44.0503 226.729 -143.482 -242.732 -20.1218 -10.7279 PRESSAVG: 4756200 -52.76 -48.9225 13.5189 -48.9225 31.8809 51.0472 13.519 51.0472 -19.3183 GPRESSAVG: 4756200 -53.486 -47.7724 12.6844 -52.1476 32.5599 48.5901 12.5622 52.4715 -19.4213 TIMING: 4756200 CPU: 13821.3, 0.00291013/step Wall: 13821.3, 0.00291013/step, 0.19708 hours remaining, 208.371094 MB of memory in use. ENERGY: 4756200 767.7423 2079.7846 1956.3102 105.6984 -206502.5855 17918.2604 0.0000 0.0000 34356.6720 -149318.1176 300.0454 -183674.7896 -149218.3222 299.1471 -30.8875 0.8730 556755.1506 -13.3991 -13.4491 LDB: ============= START OF LOAD BALANCING ============== 13824.8 LDB: ============== END OF LOAD BALANCING =============== 13824.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13824.8 LDB: ============= START OF LOAD BALANCING ============== 13825.1 LDB: Largest compute 4848 load 0.030722 is 26.1% of average load 0.117832 LDB: Average compute 0.001736 is 1.5% of average load 0.117832 LDB: TIME 13825.1 LOAD: AVG 0.117832 MAX 0.181373 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.148 MB LDB: TIME 13825.1 LOAD: AVG 0.117832 MAX 0.181373 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: TIME 13825.1 LOAD: AVG 0.117832 MAX 0.181373 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.352 MB LDB: ============== END OF LOAD BALANCING =============== 13825.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13825.1 PRESSURE: 4756400 235.485 33.0957 -45.4358 33.0955 131.863 -99.5623 -45.4346 -99.5612 -185.672 GPRESSURE: 4756400 285.876 -20.8106 -167.639 0.808861 174.653 -19.0321 48.9156 -122.189 -182.189 PRESSAVG: 4756400 18.8431 64.1832 -49.8534 64.1832 -37.5453 34.4743 -49.8534 34.4742 -31.8446 GPRESSAVG: 4756400 17.4164 61.387 -48.5378 65.5712 -37.6912 37.742 -50.6421 32.8084 -30.0496 TIMING: 4756400 CPU: 13821.9, 0.00299287/step Wall: 13821.9, 0.00299287/step, 0.202518 hours remaining, 207.734375 MB of memory in use. ENERGY: 4756400 714.8886 2130.7861 1932.8429 113.1491 -206208.2914 17823.0321 0.0000 0.0000 34143.2723 -149350.3202 298.1817 -183493.5925 -149250.1176 299.3137 60.5587 92.7801 555763.9711 -16.8490 -16.7748 PRESSURE: 4756600 90.0888 40.5806 123.693 40.5793 310.851 -61.7038 123.694 -61.7033 -239.184 GPRESSURE: 4756600 134.328 26.7701 106.36 42.4721 329.904 -83.8065 79.0617 -21.876 -205.249 PRESSAVG: 4756600 35.554 11.9933 -35.9924 11.9932 73.8282 -8.67334 -35.9924 -8.67349 -52.1832 GPRESSAVG: 4756600 36.6867 13.2253 -36.3842 13.5921 74.0739 -11.508 -35.7264 -8.28485 -53.3759 TIMING: 4756600 CPU: 13822.5, 0.00289486/step Wall: 13822.5, 0.00289486/step, 0.195725 hours remaining, 207.746094 MB of memory in use. ENERGY: 4756600 754.7435 2110.3749 1947.6577 109.0605 -206442.0611 17853.1685 0.0000 0.0000 34214.1908 -149452.8652 298.8010 -183667.0560 -149362.4421 298.6008 53.9188 86.3275 555931.8702 19.0663 19.1282 PRESSURE: 4756800 -3.71359 -13.7913 16.7181 -13.7911 305.549 8.25506 16.718 8.2546 233.076 GPRESSURE: 4756800 27.5495 -81.2489 94.7858 68.4749 351.183 0.679581 1.07696 9.67522 252.784 PRESSAVG: 4756800 -63.2924 -55.4747 77.1646 -55.4747 65.1171 47.2131 77.1646 47.2131 -11.053 GPRESSAVG: 4756800 -62.4743 -55.1709 77.6762 -56.0137 65.5113 47.7923 78.682 48.6356 -11.7211 TIMING: 4756800 CPU: 13823.1, 0.00291518/step Wall: 13823.1, 0.00291518/step, 0.196937 hours remaining, 207.746094 MB of memory in use. ENERGY: 4756800 704.5051 2076.3956 1965.8131 114.1252 -206771.8499 18234.5409 0.0000 0.0000 34052.2316 -149624.2384 297.3866 -183676.4701 -149525.2620 298.1913 178.3037 210.5053 556789.6035 -3.0761 -2.8947 PRESSURE: 4757000 23.9344 2.40236 -37.5993 2.40083 2.20923 -115.587 -37.599 -115.588 58.2126 GPRESSURE: 4757000 48.0011 -0.00368154 17.4309 77.3284 30.5932 -187.019 -51.3787 -55.2983 92.8962 PRESSAVG: 4757000 -44.6694 -38.3864 23.1415 -38.3865 43.7727 31.5683 23.1415 31.5684 -13.1781 GPRESSAVG: 4757000 -44.5503 -38.1581 21.6239 -38.7944 42.4741 31.1872 22.7626 30.8917 -11.9518 TIMING: 4757000 CPU: 13823.7, 0.00291439/step Wall: 13823.7, 0.00291439/step, 0.196721 hours remaining, 207.746094 MB of memory in use. ENERGY: 4757000 781.0239 2096.2316 1935.6156 108.6083 -206525.4590 17955.5046 0.0000 0.0000 34129.9469 -149518.5281 298.0653 -183648.4751 -149423.4267 297.7739 28.1188 57.1635 556349.9500 -4.6916 -4.6760 PRESSURE: 4757200 -277.791 -107.78 23.3826 -107.779 -58.8962 -118.411 23.3823 -118.41 -169.615 GPRESSURE: 4757200 -246.208 -9.63711 -78.3192 -108.472 -74.8496 -58.2548 -18.9482 -153.127 -101.292 PRESSAVG: 4757200 9.59606 -32.9617 -12.0198 -32.9617 -0.238553 40.983 -12.0199 40.983 18.1643 GPRESSAVG: 4757200 9.12224 -32.6634 -11.5205 -34.1259 0.514331 43.0332 -11.8702 39.992 18.0894 TIMING: 4757200 CPU: 13824.2, 0.00291139/step Wall: 13824.2, 0.00291139/step, 0.196357 hours remaining, 207.746094 MB of memory in use. ENERGY: 4757200 771.7488 2159.7120 1950.1386 116.7540 -206479.3921 17780.0894 0.0000 0.0000 34122.7517 -149578.1976 298.0025 -183700.9493 -149487.0027 298.7360 -168.7675 -140.7833 557729.0255 9.1739 9.2420 PRESSURE: 4757400 -37.26 -10.5724 77.7589 -10.573 -9.75591 -40.9248 77.7586 -40.9246 -217.085 GPRESSURE: 4757400 -43.9808 -15.2659 129.882 -81.5834 15.7086 39.226 20.3053 -104.821 -136.113 PRESSAVG: 4757400 16.8815 0.955344 21.3572 0.955408 -50.0453 33.8055 21.3571 33.8054 7.80502 GPRESSAVG: 4757400 16.1306 -0.769984 21.7943 2.91113 -50.31 31.9236 21.6468 35.4707 8.92157 TIMING: 4757400 CPU: 13824.8, 0.00289817/step Wall: 13824.8, 0.00289817/step, 0.195305 hours remaining, 207.746094 MB of memory in use. ENERGY: 4757400 775.1895 2147.0528 1964.3729 109.4248 -206582.6577 17894.2301 0.0000 0.0000 34210.5343 -149481.8533 298.7691 -183692.3876 -149376.9753 298.8357 -88.0336 -54.7951 557806.8919 -8.4529 -8.4193 PRESSURE: 4757600 224.32 89.4274 60.8488 89.4274 35.6074 -104.859 60.8483 -104.859 144.379 GPRESSURE: 4757600 222.959 168.178 18.1927 49.1592 83.4874 -134.909 24.977 -76.3718 205.606 PRESSAVG: 4757600 51.9221 -5.92277 12.469 -5.92283 -6.46685 -55.0017 12.469 -55.0018 -64.1015 GPRESSAVG: 4757600 51.8869 -4.51003 12.3764 -5.09598 -5.9112 -54.9916 12.8625 -55.9281 -64.4082 TIMING: 4757600 CPU: 13825.4, 0.00288397/step Wall: 13825.4, 0.00288397/step, 0.194187 hours remaining, 208.007812 MB of memory in use. ENERGY: 4757600 761.4294 2099.5352 1961.8730 105.1578 -206570.6695 18057.3125 0.0000 0.0000 34352.8486 -149232.5129 300.0120 -183585.3615 -149130.6967 299.5796 134.7689 170.6842 556114.9625 -6.2154 -6.1442 PRESSURE: 4757800 -313.855 96.8508 -25.9497 96.8518 -314.862 -48.2752 -25.9495 -48.2753 -231.869 GPRESSURE: 4757800 -245.559 66.4959 -19.6199 161.772 -268.605 -22.8997 -76.0266 -47.4296 -254.876 PRESSAVG: 4757800 3.7183 6.2785 38.3169 6.27858 -22.7037 27.8845 38.317 27.8846 9.81861 GPRESSAVG: 4757800 5.10128 6.22562 37.7668 7.00663 -23.5589 27.1472 36.913 28.88 9.04498 TIMING: 4757800 CPU: 13826, 0.00291154/step Wall: 13826, 0.00291154/step, 0.195882 hours remaining, 208.007812 MB of memory in use. ENERGY: 4757800 753.1704 2134.5770 1962.1137 116.3334 -205544.9396 17216.7916 0.0000 0.0000 34094.1965 -149267.7570 297.7531 -183361.9535 -149169.2520 299.1019 -286.8620 -256.3470 557674.9734 -3.0556 -3.1375 PRESSURE: 4758000 242.138 102.287 -12.6266 102.287 44.8357 -68.3737 -12.6257 -68.373 122.717 GPRESSURE: 4758000 293.216 99.657 14.237 117.028 51.83 40.2795 -13.9116 -197.166 161.64 PRESSAVG: 4758000 18.3302 19.5074 36.8019 19.5075 -6.95674 6.21069 36.802 6.21066 16.5287 GPRESSAVG: 4758000 17.3502 20.295 36.4452 17.3161 -6.02131 5.88784 38.3024 6.19761 16.1318 TIMING: 4758000 CPU: 13826.6, 0.00291883/step Wall: 13826.6, 0.00291883/step, 0.19621 hours remaining, 208.007812 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: 4758000 740.7059 2040.5829 1970.2386 114.0430 -206517.9583 18070.6256 0.0000 0.0000 34202.3549 -149379.4074 298.6977 -183581.7623 -149277.1761 299.2607 136.5635 168.8954 556174.5663 9.3007 9.1536 PRESSURE: 4758200 212.726 51.9527 90.8073 51.9523 405.439 -49.0287 90.8081 -49.0283 304.982 GPRESSURE: 4758200 217.951 102.979 62.0017 26.5726 471.624 -38.8341 75.2291 -110.22 325.453 PRESSAVG: 4758200 16.4374 7.11976 20.9343 7.11977 37.4444 -21.0852 20.9343 -21.0851 -14.7233 GPRESSAVG: 4758200 17.1443 6.11614 23.5897 10.1249 36.2212 -17.6498 20.4867 -21.776 -14.2468 TIMING: 4758200 CPU: 13827.1, 0.00289356/step Wall: 13827.1, 0.00289356/step, 0.194351 hours remaining, 208.007812 MB of memory in use. ENERGY: 4758200 765.7344 2048.2443 1961.7224 114.4678 -207101.7820 18483.5140 0.0000 0.0000 34436.5815 -149291.5177 300.7432 -183728.0991 -149192.5733 298.8578 307.7156 338.3424 556446.1567 13.0529 13.0396 PRESSURE: 4758400 218.52 -12.8098 70.6513 -12.8093 46.9075 148.744 70.6523 148.745 134.713 GPRESSURE: 4758400 259.286 -12.9019 59.0099 51.8977 69.7912 114.238 80.7823 113.482 157.187 PRESSAVG: 4758400 -1.84513 15.4942 16.1346 15.4942 -14.2676 -9.73136 16.1346 -9.73137 10.422 GPRESSAVG: 4758400 -3.20011 13.7356 14.5823 13.6275 -12.8184 -11.1726 13.9885 -10.1929 10.5567 TIMING: 4758400 CPU: 13827.7, 0.00289799/step Wall: 13827.7, 0.00289799/step, 0.194487 hours remaining, 208.007812 MB of memory in use. ENERGY: 4758400 740.5022 2120.7640 1995.1614 120.3761 -206753.5662 18023.0349 0.0000 0.0000 34426.2145 -149327.5131 300.6527 -183753.7276 -149231.1554 299.0322 133.3804 162.0880 557078.3445 -1.8969 -1.8206 PRESSURE: 4758600 219.046 -88.4033 -17.1286 -88.4032 16.6752 138.616 -17.1271 138.616 -91.1115 GPRESSURE: 4758600 278.42 -76.7981 23.0081 -107.768 43.4437 218.498 -92.1427 162.318 -95.4207 PRESSAVG: 4758600 9.01243 41.7354 -4.01614 41.7354 21.4278 27.1019 -4.01614 27.1019 35.2118 GPRESSAVG: 4758600 8.95567 42.2498 -3.389 41.0628 21.7159 26.9464 -3.25441 28.0457 34.6475 TIMING: 4758600 CPU: 13828.3, 0.00290705/step Wall: 13828.3, 0.00290705/step, 0.194934 hours remaining, 208.007812 MB of memory in use. ENERGY: 4758600 747.2357 2070.8535 1960.1134 108.0034 -206610.9187 17929.1027 0.0000 0.0000 34406.3030 -149389.3069 300.4788 -183795.6099 -149292.0552 299.5649 48.2033 75.4811 556957.2264 21.8840 21.7730 PRESSURE: 4758800 -26.4284 96.4017 78.5408 96.4023 -278.942 -35.6028 78.5412 -35.603 59.9492 GPRESSURE: 4758800 -26.4837 22.7478 41.6062 97.0793 -203.869 -18.7941 116.694 -86.9495 88.479 PRESSAVG: 4758800 39.7971 21.0304 84.1209 21.0305 -0.84121 10.7797 84.1207 10.7797 -1.31045 GPRESSAVG: 4758800 40.347 22.4174 85.0662 20.2737 -1.97785 10.6215 84.0555 9.41609 -0.873894 TIMING: 4758800 CPU: 13828.9, 0.00287922/step Wall: 13828.9, 0.00287922/step, 0.192908 hours remaining, 208.007812 MB of memory in use. ENERGY: 4758800 747.6423 2083.6250 1977.3530 114.9817 -205973.5966 17673.7415 0.0000 0.0000 34153.2367 -149223.0164 298.2687 -183376.2531 -149130.3558 299.5685 -81.8072 -47.2911 558889.6169 12.5485 12.4984 PRESSURE: 4759000 -125.71 -50.5117 -92.6069 -50.5121 -8.04143 8.65638 -92.6077 8.65555 -43.4995 GPRESSURE: 4759000 -35.3659 -114.168 -28.3868 -14.9719 -19.7178 -34.943 -105.433 14.9646 -24.9067 PRESSAVG: 4759000 -21.3803 -1.74187 -34.4338 -1.74183 -17.2878 -29.2031 -34.4337 -29.2032 7.40086 GPRESSAVG: 4759000 -21.0738 -1.43089 -34.7502 -0.646131 -19.037 -29.5216 -33.0074 -26.9655 8.1493 TIMING: 4759000 CPU: 13829.5, 0.0028883/step Wall: 13829.5, 0.0028883/step, 0.193356 hours remaining, 208.007812 MB of memory in use. ENERGY: 4759000 773.0158 2091.9965 1973.9539 125.1009 -206209.8473 17875.5372 0.0000 0.0000 34349.4932 -149020.7497 299.9827 -183370.2430 -148934.6365 299.4981 -59.0838 -26.6635 558967.4240 -10.4224 -10.6538 PRESSURE: 4759200 94.7059 64.6861 -144.292 64.6862 -44.8223 141.462 -144.293 141.462 -8.84788 GPRESSURE: 4759200 99.4781 84.6656 -141.797 105.492 -5.19715 124.766 -187.788 137.629 44.8532 PRESSAVG: 4759200 50.5316 -31.9204 -20.4319 -31.9204 -82.5928 -25.0806 -20.432 -25.0806 -22.9182 GPRESSAVG: 4759200 50.0189 -32.7071 -20.4024 -31.7923 -81.083 -25.4287 -22.3919 -25.4739 -23.6602 TIMING: 4759200 CPU: 13830, 0.00288999/step Wall: 13830, 0.00288999/step, 0.193308 hours remaining, 208.007812 MB of memory in use. ENERGY: 4759200 764.4545 2085.4195 1966.4422 118.1873 -206553.6162 18076.1235 0.0000 0.0000 34536.9203 -149006.0689 301.6195 -183542.9892 -148901.7100 299.8312 13.6786 46.3781 557325.6018 -18.3265 -18.2414 PRESSURE: 4759400 77.0565 -102.033 -13.2312 -102.033 -139.995 -32.6242 -13.2308 -32.6238 -471.753 GPRESSURE: 4759400 168.941 -124.188 -1.46365 -143.364 -147.14 71.0507 6.303 -140.127 -465.634 PRESSAVG: 4759400 67.705 -27.1221 -34.4257 -27.1221 -51.2023 82.791 -34.4258 82.791 -43.7082 GPRESSAVG: 4759400 67.8406 -26.5243 -34.6727 -27.6557 -52.0482 84.3758 -33.8047 81.4654 -42.7198 TIMING: 4759400 CPU: 13830.6, 0.00289881/step Wall: 13830.6, 0.00289881/step, 0.193737 hours remaining, 208.007812 MB of memory in use. ENERGY: 4759400 767.8285 2127.3081 1955.1073 114.1003 -206156.5500 17732.1245 0.0000 0.0000 34286.5313 -149173.5501 299.4328 -183460.0813 -149077.6364 299.7120 -178.2305 -147.9441 558460.0683 -9.0685 -8.9758 PRESSURE: 4759600 -85.4048 69.6124 21.2408 69.6122 -255.259 178.686 21.2413 178.685 8.12688 GPRESSURE: 4759600 -52.3777 36.8567 59.3226 132.472 -246.068 132.729 38.3671 163.647 59.3355 PRESSAVG: 4759600 60.8297 6.63378 -20.4619 6.63368 -74.882 74.1272 -20.4619 74.1274 2.67817 GPRESSAVG: 4759600 59.8911 6.20885 -21.1531 8.39622 -74.0087 72.201 -19.8742 74.9814 2.61701 TIMING: 4759600 CPU: 13831.2, 0.00289732/step Wall: 13831.2, 0.00289732/step, 0.193477 hours remaining, 208.007812 MB of memory in use. ENERGY: 4759600 743.9009 2104.3239 1949.5114 112.1615 -206094.8388 17706.4496 0.0000 0.0000 34265.8671 -149212.6244 299.2523 -183478.4915 -149116.2069 299.4833 -110.8455 -79.7034 559094.8468 -3.7914 -3.8335 PRESSURE: 4759800 -52.6178 -34.1216 -133.034 -34.1227 -262.979 -43.317 -133.034 -43.3156 3.8832 GPRESSURE: 4759800 -2.0335 -75.8886 -183.647 32.8751 -214.987 -155.368 -104.29 52.7722 14.9608 PRESSAVG: 4759800 -50.6325 -10.3228 -4.50092 -10.3229 -16.4362 23.6061 -4.50099 23.6061 70.2102 GPRESSAVG: 4759800 -48.7674 -11.2416 -3.55487 -10.4691 -17.396 23.5729 -4.89848 23.6698 69.1325 TIMING: 4759800 CPU: 13831.8, 0.00290641/step Wall: 13831.8, 0.00290641/step, 0.193922 hours remaining, 208.007812 MB of memory in use. ENERGY: 4759800 719.6326 2056.8335 1968.2016 113.6724 -205880.1866 17621.4496 0.0000 0.0000 34324.6073 -149075.7896 299.7653 -183400.3969 -148976.2705 299.3576 -103.9045 -67.3532 560144.0600 1.0472 0.9897 PRESSURE: 4760000 -173.44 -10.1337 -138.687 -10.1337 283.873 -74.1345 -138.687 -74.1345 3.68749 GPRESSURE: 4760000 -129.082 121.279 -110.591 -18.7674 323.295 -35.3619 -208.938 3.38818 10.7001 PRESSAVG: 4760000 -9.17503 2.91778 -0.400274 2.91775 -18.5947 -27.2176 -0.400347 -27.2176 1.20461 GPRESSAVG: 4760000 -9.15349 5.21781 -2.73593 2.88388 -17.0574 -26.7869 2.3573 -28.2915 -0.340754 TIMING: 4760000 CPU: 13832.4, 0.00291468/step Wall: 13832.4, 0.00291468/step, 0.194312 hours remaining, 208.039062 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: 4760000 755.4379 2095.7698 1957.2071 118.3884 -206358.4257 18000.6302 0.0000 0.0000 34329.4001 -149101.5922 299.8072 -183430.9923 -149007.6872 299.4464 38.0400 68.3045 559087.9973 -8.8550 -8.8506 PRESSURE: 4760200 14.751 66.7039 -94.4185 66.705 52.075 -17.9815 -94.4192 -17.9807 104.634 GPRESSURE: 4760200 36.6372 47.9497 -28.6569 54.8091 144.511 -39.1856 -53.0645 39.4626 88.9735 PRESSAVG: 4760200 6.01355 65.3954 -39.8556 65.3953 -18.9427 34.1133 -39.8557 34.1132 -17.1379 GPRESSAVG: 4760200 4.07197 64.0237 -35.4762 64.2055 -19.5859 32.2396 -44.3041 36.3263 -15.1852 TIMING: 4760200 CPU: 13832.9, 0.00293002/step Wall: 13832.9, 0.00293002/step, 0.195172 hours remaining, 208.039062 MB of memory in use. ENERGY: 4760200 769.7783 2133.2316 1947.7287 115.5852 -206631.2720 18114.1838 0.0000 0.0000 34375.0209 -149175.7436 300.2056 -183550.7644 -149073.7313 299.4869 57.1535 90.0405 556866.5822 -10.0223 -10.2330 LDB: ============= START OF LOAD BALANCING ============== 13836.4 LDB: ============== END OF LOAD BALANCING =============== 13836.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13836.4 LDB: ============= START OF LOAD BALANCING ============== 13836.7 LDB: Largest compute 4848 load 0.031826 is 27.0% of average load 0.117798 LDB: Average compute 0.001729 is 1.5% of average load 0.117798 LDB: TIME 13836.7 LOAD: AVG 0.117798 MAX 0.184088 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.523 MB LDB: TIME 13836.7 LOAD: AVG 0.117798 MAX 0.184088 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: TIME 13836.7 LOAD: AVG 0.117798 MAX 0.184088 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13836.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13836.7 PRESSURE: 4760400 -42.5891 223.539 -61.6271 223.54 10.4765 -123.965 -61.6271 -123.963 119.815 GPRESSURE: 4760400 -38.522 228.241 34.1024 185.675 70.6752 -197.326 -51.9019 -22.1176 149.213 PRESSAVG: 4760400 39.8459 27.914 -36.9121 27.914 37.4208 -22.6928 -36.9122 -22.6929 -23.8567 GPRESSAVG: 4760400 39.4026 27.898 -40.8033 26.9421 37.265 -19.3708 -34.3895 -25.9153 -23.3011 TIMING: 4760400 CPU: 13833.5, 0.00298327/step Wall: 13833.5, 0.00298327/step, 0.198553 hours remaining, 209.667969 MB of memory in use. ENERGY: 4760400 734.4696 2100.0268 1950.8888 107.3517 -205962.0716 17779.1075 0.0000 0.0000 34163.4089 -149126.8184 298.3575 -183290.2273 -149032.4149 299.4142 29.2340 60.4554 557360.5124 17.8033 17.7888 PRESSURE: 4760600 -63.7686 163.736 -88.6983 163.735 3.16463 -34.7379 -88.6978 -34.7371 516.592 GPRESSURE: 4760600 -8.58563 131.865 -44.6387 231.789 61.9904 -18.6919 -141.705 -95.514 504.582 PRESSAVG: 4760600 10.9818 35.8413 -19.4863 35.8413 -53.5525 -3.38175 -19.4863 -3.38188 -6.60564 GPRESSAVG: 4760600 12.1109 35.6859 -21.2515 37.2517 -53.4656 -4.27811 -18.6319 -4.02313 -8.11004 TIMING: 4760600 CPU: 13834.1, 0.00290202/step Wall: 13834.1, 0.00290202/step, 0.192984 hours remaining, 209.871094 MB of memory in use. ENERGY: 4760600 750.2056 2109.3136 1959.3954 97.4595 -206402.1801 18051.6323 0.0000 0.0000 34161.3176 -149272.8561 298.3393 -183434.1737 -149177.3957 299.2858 151.9960 185.9954 557272.6732 -16.3921 -16.4882 PRESSURE: 4760800 15.3802 94.3888 -32.824 94.3883 -117.996 -93.6724 -32.8244 -93.6724 96.1385 GPRESSURE: 4760800 74.3532 -19.3201 -154.92 110.746 -130.78 -100.603 -3.09482 -81.2791 147.238 PRESSAVG: 4760800 -42.5674 42.2904 87.2089 42.2906 -69.0859 -2.27559 87.2089 -2.27556 94.1165 GPRESSAVG: 4760800 -43.4493 41.3547 87.5224 42.6458 -68.2093 -2.7978 87.9215 -0.0562083 94.3839 TIMING: 4760800 CPU: 13834.7, 0.00290207/step Wall: 13834.7, 0.00290207/step, 0.192827 hours remaining, 209.871094 MB of memory in use. ENERGY: 4760800 752.5824 2114.5746 1983.3725 108.5993 -206720.2489 18080.2241 0.0000 0.0000 34145.1430 -149535.7530 298.1980 -183680.8960 -149440.3103 299.0080 -2.1591 30.2706 557308.6532 -5.8456 -5.7582 PRESSURE: 4761000 -84.6002 -100.398 35.6135 -100.399 -1.44237 -178.27 35.6126 -178.269 -306.856 GPRESSURE: 4761000 -35.9847 -216.457 35.358 -43.9794 0.330233 -94.5893 28.4341 -173.711 -259.222 PRESSAVG: 4761000 12.9653 22.5449 -37.1305 22.5449 -14.1372 -24.1897 -37.1306 -24.1898 31.3671 GPRESSAVG: 4761000 13.8568 24.5327 -33.2979 21.2873 -16.339 -23.6598 -40.0592 -22.7008 33.1914 TIMING: 4761000 CPU: 13835.3, 0.00295453/step Wall: 13835.3, 0.00295453/step, 0.196148 hours remaining, 209.871094 MB of memory in use. ENERGY: 4761000 723.4352 2056.6097 1989.8875 127.8788 -205688.7093 17503.7929 0.0000 0.0000 33956.0395 -149331.0656 296.5465 -183287.1051 -149234.5435 298.7664 -130.9663 -98.2921 557579.7417 10.0651 10.2364 PRESSURE: 4761200 -27.3803 42.6787 -50.2901 42.6784 -13.5585 -21.4029 -50.2906 -21.4018 123.792 GPRESSURE: 4761200 -10.1979 118.751 -21.9231 40.0719 55.7528 -53.2848 -11.071 -88.9893 129.697 PRESSAVG: 4761200 -11.3475 -0.308228 6.94896 -0.30825 -19.5371 -60.5546 6.94895 -60.5546 20.9459 GPRESSAVG: 4761200 -10.7687 -1.29789 4.31925 1.10613 -19.0841 -58.7348 8.70731 -61.2884 19.8667 TIMING: 4761200 CPU: 13835.9, 0.00292506/step Wall: 13835.9, 0.00292506/step, 0.194029 hours remaining, 209.871094 MB of memory in use. ENERGY: 4761200 740.4788 2120.4734 1951.3718 107.8932 -206289.9872 17917.0482 0.0000 0.0000 34164.9414 -149287.7802 298.3709 -183452.7217 -149194.2986 298.5768 27.6177 58.4171 555522.6081 -3.3129 -3.3287 PRESSURE: 4761400 -59.2503 92.6994 109.958 92.6995 -267.181 -69.5031 109.958 -69.5017 -107.694 GPRESSURE: 4761400 -88.8112 134.575 5.55564 58.82 -196.635 -63.7865 97.5336 -79.1426 -47.0299 PRESSAVG: 4761400 44.1434 -28.7417 22.2517 -28.7417 -44.4676 -60.9416 22.2517 -60.9416 22.4281 GPRESSAVG: 4761400 43.4182 -28.5162 20.3317 -29.6304 -44.3148 -60.0303 23.0695 -63.029 22.9051 TIMING: 4761400 CPU: 13836.5, 0.00292039/step Wall: 13836.5, 0.00292039/step, 0.193557 hours remaining, 209.871094 MB of memory in use. ENERGY: 4761400 776.1918 2112.9959 1988.7475 115.3478 -206062.6636 17549.0359 0.0000 0.0000 34269.8915 -149250.4533 299.2875 -183520.3447 -149154.1541 299.7735 -144.7084 -110.8255 558017.6788 7.3680 7.3362 PRESSURE: 4761600 0.666355 36.5646 198.055 36.565 284.865 15.2948 198.054 15.2961 -115.294 GPRESSURE: 4761600 18.5944 11.8046 233.361 96.9228 347.477 53.5304 136.174 57.4828 -108.433 PRESSAVG: 4761600 25.7581 28.6133 62.6076 28.6133 -47.634 -23.4848 62.6075 -23.4847 50.8955 GPRESSAVG: 4761600 26.7227 26.6092 63.9408 28.8071 -47.1851 -26.4084 61.8588 -21.7058 49.4233 TIMING: 4761600 CPU: 13837, 0.00291419/step Wall: 13837, 0.00291419/step, 0.192984 hours remaining, 209.871094 MB of memory in use. ENERGY: 4761600 790.5791 2073.6646 1948.4824 97.7141 -206367.1207 17928.9869 0.0000 0.0000 34096.5721 -149431.1214 297.7738 -183527.6936 -149333.0188 299.3471 56.7456 85.8793 556170.4219 9.6732 9.6536 PRESSURE: 4761800 68.7236 -18.9955 16.7962 -18.9961 260.26 14.3722 16.7943 14.3719 -104.105 GPRESSURE: 4761800 90.624 -121.282 -46.1403 -3.57776 256.251 69.6733 -0.716965 -29.3602 -22.7272 PRESSAVG: 4761800 -11.651 2.08564 10.8804 2.08566 8.92967 7.99789 10.8803 7.99789 13.2333 GPRESSAVG: 4761800 -12.5871 3.08948 10.8544 2.41439 8.38486 9.32453 10.9346 6.07251 13.8702 TIMING: 4761800 CPU: 13837.6, 0.002911/step Wall: 13837.6, 0.002911/step, 0.192611 hours remaining, 209.871094 MB of memory in use. ENERGY: 4761800 788.4265 2157.5023 1962.6905 113.3905 -206632.7748 18073.5065 0.0000 0.0000 34191.9011 -149345.3573 298.6064 -183537.2585 -149249.1508 299.3307 74.9596 108.0493 557525.9234 3.5040 3.2227 PRESSURE: 4762000 26.4613 107.564 -63.1966 107.564 -52.8458 -95.8209 -63.1972 -95.8181 32.6744 GPRESSURE: 4762000 5.2258 117.034 -40.4893 88.8546 -12.6172 -62.6679 -17.2066 -74.6639 103.156 PRESSAVG: 4762000 -8.60115 29.5899 -42.3537 29.5899 -42.3762 5.27448 -42.3538 5.2746 35.7084 GPRESSAVG: 4762000 -9.65759 26.6316 -41.3025 30.3091 -42.8161 4.10141 -42.7348 5.03012 37.32 TIMING: 4762000 CPU: 13838.2, 0.00290751/step Wall: 13838.2, 0.00290751/step, 0.192219 hours remaining, 209.871094 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: 4762000 753.6253 2099.8720 1954.3909 96.0295 -206156.3990 17722.1894 0.0000 0.0000 34218.2605 -149312.0314 298.8366 -183530.2919 -149218.9192 298.6960 2.0966 31.9215 556976.9259 -5.0896 -5.0512 PRESSURE: 4762200 64.1826 -12.0424 -133.974 -12.0423 -245.329 -25.4183 -133.975 -25.4182 -161.479 GPRESSURE: 4762200 138.972 -81.8505 -76.3626 33.6315 -208.173 -59.7236 -142.066 -58.9455 -161.994 PRESSAVG: 4762200 -46.1054 -18.035 34.1604 -18.0349 -16.8596 18.2672 34.1605 18.2673 64.8122 GPRESSAVG: 4762200 -45.1082 -15.9905 33.2318 -19.9568 -16.1487 19.1174 31.9186 20.2975 63.0712 TIMING: 4762200 CPU: 13838.8, 0.0029063/step Wall: 13838.8, 0.0029063/step, 0.191977 hours remaining, 209.871094 MB of memory in use. ENERGY: 4762200 742.6055 2133.0068 1955.7384 117.6516 -206172.3422 17779.3957 0.0000 0.0000 34163.5316 -149280.4126 298.3586 -183443.9442 -149189.9217 298.6942 -114.2085 -77.0649 558593.3704 0.6157 0.6048 PRESSURE: 4762400 -134.584 -15.1131 -32.3976 -15.1119 -151.172 19.2254 -32.3991 19.2271 -144.287 GPRESSURE: 4762400 -98.5119 -17.0071 -3.93208 -90.2997 -131.85 28.3083 11.9141 -1.81668 -101.633 PRESSAVG: 4762400 25.2272 -11.0167 -25.2154 -11.0166 -0.554321 15.6764 -25.2154 15.6765 -24.7725 GPRESSAVG: 4762400 24.9106 -8.94098 -24.075 -10.7685 -0.431068 15.5453 -22.9591 15.5448 -24.7827 TIMING: 4762400 CPU: 13839.4, 0.00290812/step Wall: 13839.4, 0.00290812/step, 0.191936 hours remaining, 209.871094 MB of memory in use. ENERGY: 4762400 712.6752 2117.6331 1968.0807 123.3980 -206193.3851 17543.4039 0.0000 0.0000 34427.2434 -149300.9508 300.6617 -183728.1942 -149201.4433 299.4778 -143.3476 -110.6648 557590.0429 -0.0332 -0.1010 PRESSURE: 4762600 -10.1827 85.993 137.135 85.9943 -175.632 -58.4438 137.134 -58.443 -54.4376 GPRESSURE: 4762600 -8.27227 118.001 84.9053 142.507 -119.096 36.246 118.487 -154.185 -2.86746 PRESSAVG: 4762600 23.8167 -1.58925 0.905173 -1.58922 -13.0275 -13.6842 0.905123 -13.6841 -11.8062 GPRESSAVG: 4762600 24.7168 -0.867657 -0.256813 -2.87015 -13.6447 -14.425 0.868556 -15.6307 -12.2873 TIMING: 4762600 CPU: 13840, 0.002911/step Wall: 13840, 0.002911/step, 0.191964 hours remaining, 209.871094 MB of memory in use. ENERGY: 4762600 748.3298 2064.0046 1928.4544 114.1786 -206154.3835 17657.3980 0.0000 0.0000 34380.4824 -149261.5357 300.2533 -183642.0181 -149163.4644 299.7430 -80.0840 -43.4120 556550.5905 -0.3390 -0.4051 PRESSURE: 4762800 -18.1683 -130.059 20.8183 -130.059 -194.69 -155.051 20.8174 -155.052 -149.119 GPRESSURE: 4762800 16.186 -181.498 6.98231 -105.136 -139.131 -123.426 -0.321382 -158.365 -153.657 PRESSAVG: 4762800 -48.5631 -3.53734 -25.1147 -3.5373 -13.8634 1.56506 -25.1148 1.56499 61.6541 GPRESSAVG: 4762800 -48.4624 -5.56709 -25.2374 -2.80756 -13.4976 1.99461 -25.9632 1.68698 61.8343 TIMING: 4762800 CPU: 13840.5, 0.0029001/step Wall: 13840.5, 0.0029001/step, 0.191084 hours remaining, 209.871094 MB of memory in use. ENERGY: 4762800 745.0874 2070.8875 1941.2928 107.5139 -205869.5985 17578.9288 0.0000 0.0000 34351.9132 -149073.9750 300.0038 -183425.8882 -148975.6636 299.4238 -120.6590 -92.2005 558296.2718 -0.2575 -0.0419 PRESSURE: 4763000 85.7192 -22.7963 35.8031 -22.7951 275.717 -138.321 35.8038 -138.321 217.844 GPRESSURE: 4763000 68.7719 -31.8966 4.43706 -24.577 374.767 -79.2579 6.44949 -262.713 234.044 PRESSAVG: 4763000 -16.2485 23.0466 51.8976 23.0466 15.0158 -63.8769 51.8975 -63.8769 7.76718 GPRESSAVG: 4763000 -16.8689 24.0027 50.7249 21.5134 14.2094 -64.632 51.2736 -63.1761 8.95998 TIMING: 4763000 CPU: 13841.1, 0.00290843/step Wall: 13841.1, 0.00290843/step, 0.191471 hours remaining, 209.871094 MB of memory in use. ENERGY: 4763000 722.6168 2111.5462 1951.4952 106.8078 -206840.5502 18285.5961 0.0000 0.0000 34516.7942 -149145.6938 301.4437 -183662.4880 -149041.2471 299.3395 193.0936 225.8609 557905.4891 2.1782 2.1001 PRESSURE: 4763200 -60.3017 17.4703 61.6968 17.4704 -34.1964 30.3958 61.6958 30.3943 228.408 GPRESSURE: 4763200 -23.7879 34.7912 -4.81949 -10.1722 14.7816 -13.8423 52.4516 68.469 237.149 PRESSAVG: 4763200 16.6306 21.6232 34.8803 21.6231 -44.3683 -26.8317 34.8803 -26.8317 28.419 GPRESSAVG: 4763200 19.3194 22.21 34.7876 22.4418 -45.9574 -25.8777 34.8286 -26.5666 27.2531 TIMING: 4763200 CPU: 13841.7, 0.00290315/step Wall: 13841.7, 0.00290315/step, 0.190963 hours remaining, 209.871094 MB of memory in use. ENERGY: 4763200 745.3365 2093.8243 1948.8853 119.1434 -206191.6614 17930.8796 0.0000 0.0000 34202.0632 -149151.5292 298.6951 -183353.5923 -149044.9100 299.6326 44.6367 76.0475 558561.7896 0.2271 0.2051 PRESSURE: 4763400 -3.55 43.2204 -177.803 43.2205 -3.77395 -36.2595 -177.802 -36.2595 147.769 GPRESSURE: 4763400 -4.82337 15.7989 -204.824 207.238 -4.60609 -35.8359 -224.284 -97.4724 251.252 PRESSAVG: 4763400 -23.99 0.509967 -20.54 0.509984 16.0136 -37.0858 -20.5399 -37.0857 29.0198 GPRESSAVG: 4763400 -26.6019 -0.483723 -19.7714 3.54461 18.553 -37.6157 -18.8935 -36.9133 29.4276 TIMING: 4763400 CPU: 13842.3, 0.00289649/step Wall: 13842.3, 0.00289649/step, 0.190364 hours remaining, 210.105469 MB of memory in use. ENERGY: 4763400 717.0682 2124.2571 1958.2298 112.0757 -206335.9558 17893.6589 0.0000 0.0000 34146.4296 -149384.2365 298.2093 -183530.6661 -149284.8323 298.2522 46.8152 80.6075 557478.9037 7.0145 7.1262 PRESSURE: 4763600 162.097 5.9282 33.0478 5.92824 200.492 4.58925 33.045 4.5889 235.38 GPRESSURE: 4763600 165.493 -23.7974 19.5519 28.4224 251.262 128.581 -27.552 -57.9908 287.32 PRESSAVG: 4763600 -2.23334 -24.6928 -42.2682 -24.6928 16.8927 -60.4931 -42.2682 -60.493 25.8252 GPRESSAVG: 4763600 -0.876294 -25.0111 -41.0071 -25.5464 17.1251 -61.0294 -42.6729 -60.2776 24.3682 TIMING: 4763600 CPU: 13842.9, 0.00290001/step Wall: 13842.9, 0.00290001/step, 0.190434 hours remaining, 210.105469 MB of memory in use. ENERGY: 4763600 715.4369 2053.3530 1943.5208 100.8907 -206479.2634 18114.6260 0.0000 0.0000 34295.8410 -149255.5950 299.5141 -183551.4359 -149162.5107 299.1479 199.3230 234.6916 557535.2423 13.4949 13.5390 PRESSURE: 4763800 -108.005 70.7783 -47.9746 70.7777 -39.5099 26.4988 -47.9733 26.4989 -153.528 GPRESSURE: 4763800 -94.0813 50.5145 -53.996 28.2105 30.7635 -17.3876 -28.9942 116.652 -150.924 PRESSAVG: 4763800 67.3683 27.0479 47.319 27.0479 -33.3523 -59.0715 47.3191 -59.0715 -20.8793 GPRESSAVG: 4763800 66.1279 27.7663 46.203 25.3588 -33.9211 -57.729 48.8241 -59.7673 -19.1618 TIMING: 4763800 CPU: 13843.4, 0.00290694/step Wall: 13843.4, 0.00290694/step, 0.190727 hours remaining, 210.105469 MB of memory in use. ENERGY: 4763800 749.8641 2082.3112 1945.6100 118.5036 -206238.9429 17639.6523 0.0000 0.0000 34385.2428 -149317.7589 300.2949 -183703.0018 -149217.1466 298.7718 -100.3474 -71.4139 557411.5159 4.3789 4.3483 PRESSURE: 4764000 -249.641 20.0707 -29.5449 20.0712 -89.7332 -34.4537 -29.5446 -34.4534 -316.999 GPRESSURE: 4764000 -246.477 5.8439 0.123524 56.5603 -0.0490088 11.23 20.4423 -114.706 -321.487 PRESSAVG: 4764000 33.3013 30.4146 -8.27521 30.4146 -1.47296 -13.0169 -8.27519 -13.017 -1.28948 GPRESSAVG: 4764000 34.848 32.1278 -7.30747 29.2672 -2.7719 -14.5922 -9.43913 -13.1482 -1.77 TIMING: 4764000 CPU: 13844, 0.00290886/step Wall: 13844, 0.00290886/step, 0.190692 hours remaining, 210.105469 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: 4764000 737.1540 2063.4965 1990.3569 110.8307 -205836.0986 17490.3530 0.0000 0.0000 34122.9278 -149320.9796 298.0040 -183443.9075 -149218.1162 298.8538 -218.7909 -189.3376 559380.3728 10.1796 10.1021 PRESSURE: 4764200 174.616 59.9676 62.7301 59.9671 55.2873 29.6116 62.73 29.6115 -221.864 GPRESSURE: 4764200 150.752 76.0793 -20.6612 -30.6672 82.6615 27.5219 80.6656 8.47872 -118.183 PRESSAVG: 4764200 0.523223 36.4632 -53.8025 36.4633 1.52117 -6.83633 -53.8026 -6.83621 -10.5254 GPRESSAVG: 4764200 -0.392948 33.8913 -53.9764 38.9495 2.28593 -6.10599 -53.8474 -6.05536 -10.1401 TIMING: 4764200 CPU: 13844.6, 0.00294275/step Wall: 13844.6, 0.00294275/step, 0.19275 hours remaining, 210.105469 MB of memory in use. ENERGY: 4764200 769.2244 2106.5795 1953.5978 105.6058 -206566.3462 17959.7748 0.0000 0.0000 34231.2545 -149440.3094 298.9501 -183671.5639 -149345.1873 298.3156 2.6797 38.4103 558130.7092 -2.8270 -2.7491 LDB: ============= START OF LOAD BALANCING ============== 13848.1 LDB: ============== END OF LOAD BALANCING =============== 13848.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13848.1 LDB: ============= START OF LOAD BALANCING ============== 13848.4 LDB: Largest compute 4848 load 0.031153 is 26.4% of average load 0.117863 LDB: Average compute 0.001741 is 1.5% of average load 0.117863 LDB: TIME 13848.4 LOAD: AVG 0.117863 MAX 0.181787 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 13848.4 LOAD: AVG 0.117863 MAX 0.181787 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: TIME 13848.4 LOAD: AVG 0.117863 MAX 0.181787 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.406 MB LDB: ============== END OF LOAD BALANCING =============== 13848.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13848.4 PRESSURE: 4764400 -212.488 144.995 -84.8305 144.996 -245.895 33.7819 -84.8309 33.7809 -336.74 GPRESSURE: 4764400 -186.831 204.339 -17.5219 115.407 -173.412 44.4924 -58.7268 -20.3583 -338.974 PRESSAVG: 4764400 23.6966 -41.2541 -14.552 -41.2542 -19.385 13.9722 -14.552 13.9722 -4.8171 GPRESSAVG: 4764400 25.6162 -40.1452 -13.9674 -42.564 -19.9656 17.0244 -14.418 12.7518 -5.98274 TIMING: 4764400 CPU: 13845.2, 0.00297904/step Wall: 13845.2, 0.00297904/step, 0.194961 hours remaining, 207.355469 MB of memory in use. ENERGY: 4764400 759.8893 2094.7138 1958.4676 102.1934 -206172.9969 17651.6329 0.0000 0.0000 34030.4762 -149575.6237 297.1966 -183606.0999 -149478.9703 298.1613 -265.0411 -233.0724 558956.6735 -0.1685 -0.1107 PRESSURE: 4764600 -197.24 96.1258 -14.7938 96.1246 -30.7844 -0.191838 -14.7938 -0.192166 -204.078 GPRESSURE: 4764600 -160.886 194.582 23.4212 7.50403 4.47741 -53.5021 2.26473 -17.6153 -176.705 PRESSAVG: 4764600 -14.6909 54.3241 -1.42556 54.324 13.3528 34.4181 -1.42545 34.418 25.7724 GPRESSAVG: 4764600 -15.4825 56.6606 -2.76132 53.4526 12.7041 31.5803 -0.761408 34.8414 27.3473 TIMING: 4764600 CPU: 13845.8, 0.00293147/step Wall: 13845.8, 0.00293147/step, 0.191685 hours remaining, 207.816406 MB of memory in use. ENERGY: 4764600 775.6086 2095.6272 1951.0432 110.0788 -206144.9939 17528.5145 0.0000 0.0000 34270.1076 -149414.0140 299.2894 -183684.1216 -149315.9562 298.6210 -144.0340 -111.0377 558188.6021 8.1448 8.1896 PRESSURE: 4764800 -78.8088 -87.7859 -20.2485 -87.7863 -236.186 -144.693 -20.2487 -144.693 -85.1856 GPRESSURE: 4764800 -20.6528 -160.126 51.374 -100.453 -195.094 -96.7391 -71.9081 -159.939 -85.8002 PRESSAVG: 4764800 -15.4527 -1.02601 32.775 -1.02608 12.8023 -0.190478 32.775 -0.190459 21.2388 GPRESSAVG: 4764800 -14.3713 -5.15721 32.1229 1.59101 12.2488 -1.36779 34.3043 0.57033 21.1505 TIMING: 4764800 CPU: 13846.4, 0.00291587/step Wall: 13846.4, 0.00291587/step, 0.190503 hours remaining, 207.816406 MB of memory in use. ENERGY: 4764800 735.0385 2075.1208 1969.3805 115.5015 -206071.3853 17664.9247 0.0000 0.0000 34084.8621 -149426.5573 297.6716 -183511.4194 -149332.1761 298.9258 -133.3935 -100.5157 558522.3432 6.1961 6.3427 PRESSURE: 4765000 -123 -48.5691 -81.6289 -48.5692 473.32 -33.4322 -81.6282 -33.4322 47.6268 GPRESSURE: 4765000 -84.3535 -27.527 -109.366 24.2418 502.557 -24.756 -33.9732 -51.5351 77.4588 PRESSAVG: 4765000 -58.4443 10.8579 -25.4574 10.8579 54.3717 -3.42785 -25.4574 -3.42794 51.2687 GPRESSAVG: 4765000 -59.1773 12.2081 -26.9065 10.092 54.5518 -1.45211 -27.8162 -4.29143 51.7704 TIMING: 4765000 CPU: 13847, 0.00289446/step Wall: 13847, 0.00289446/step, 0.188944 hours remaining, 207.816406 MB of memory in use. ENERGY: 4765000 684.3442 2049.0363 1959.2892 107.9014 -206097.1215 17989.8300 0.0000 0.0000 33995.2302 -149311.4901 296.8888 -183306.7203 -149219.5708 298.1208 132.6490 165.2209 560462.2663 15.7320 15.7149 PRESSURE: 4765200 117.381 -3.58339 -98.3277 -3.58381 189.307 77.6908 -98.3269 77.6909 -0.0522792 GPRESSURE: 4765200 122.453 -12.1398 -119.878 14.7099 248.978 84.2654 -43.215 -43.4901 30.7507 PRESSAVG: 4765200 -56.1655 51.778 18.1445 51.7779 38.6775 12.7491 18.1444 12.7491 25.5153 GPRESSAVG: 4765200 -57.0709 52.3461 21.3363 50.1659 38.9343 12.6212 17.3399 11.3755 25.8376 TIMING: 4765200 CPU: 13847.5, 0.00289856/step Wall: 13847.5, 0.00289856/step, 0.189051 hours remaining, 207.816406 MB of memory in use. ENERGY: 4765200 729.1709 2034.9929 1968.5013 114.6973 -206461.2673 18096.0345 0.0000 0.0000 34236.6278 -149281.2428 298.9970 -183517.8705 -149184.1256 298.1602 102.2119 134.0607 558885.6517 2.6757 2.5670 PRESSURE: 4765400 140.236 -14.1402 119.062 -14.14 374.23 113.349 119.061 113.348 145.92 GPRESSURE: 4765400 153.973 -57.6569 163.82 1.43523 395.356 190.607 139.979 71.1208 197.443 PRESSAVG: 4765400 38.1323 5.17527 0.038654 5.17531 -33.2688 23.2488 0.0386686 23.2488 16.7675 GPRESSAVG: 4765400 38.3693 3.5022 0.0100846 6.28981 -32.943 22.9793 -0.932308 25.5822 16.1369 TIMING: 4765400 CPU: 13848.1, 0.00288448/step Wall: 13848.1, 0.00288448/step, 0.187972 hours remaining, 207.816406 MB of memory in use. ENERGY: 4765400 710.4661 2036.5446 1966.2002 113.2787 -206770.4789 18225.7232 0.0000 0.0000 34408.8859 -149309.3800 300.5014 -183718.2660 -149215.2014 298.9078 220.1288 248.9239 557126.2005 7.2103 7.1877 PRESSURE: 4765600 -239.134 68.3645 31.9171 68.3648 156.472 21.0928 31.9164 21.0923 -23.8538 GPRESSURE: 4765600 -172.13 93.5738 83.5158 48.6372 168.313 70.3591 -35.9256 -1.27828 -1.90084 PRESSAVG: 4765600 8.99199 -18.8692 8.77281 -18.8692 -19.7104 -1.21584 8.77279 -1.21586 23.6784 GPRESSAVG: 4765600 9.41699 -16.3871 7.86827 -17.8182 -20.2219 -1.6515 11.2959 -1.79548 24.31 TIMING: 4765600 CPU: 13848.7, 0.00290388/step Wall: 13848.7, 0.00290388/step, 0.189075 hours remaining, 207.816406 MB of memory in use. ENERGY: 4765600 708.2863 2061.2866 1975.3509 114.0279 -206246.3926 17898.6306 0.0000 0.0000 34143.2325 -149345.5779 298.1813 -183488.8104 -149251.4064 299.4588 -35.5051 -1.9057 558360.9323 4.3200 4.5017 PRESSURE: 4765800 101.485 -20.821 13.2969 -20.8208 -261.062 -12.1047 13.2981 -12.1033 -448.941 GPRESSURE: 4765800 95.1894 -18.386 -34.4251 -16.9035 -227.389 17.7174 103.091 -46.829 -380.088 PRESSAVG: 4765800 -2.57045 37.619 66.6871 37.619 1.06321 55.2486 66.6871 55.2487 -19.9342 GPRESSAVG: 4765800 -1.66184 35.4449 67.5029 38.6729 1.80227 55.5432 66.1223 54.9761 -21.1677 TIMING: 4765800 CPU: 13849.3, 0.00288658/step Wall: 13849.3, 0.00288658/step, 0.187788 hours remaining, 207.816406 MB of memory in use. ENERGY: 4765800 779.9452 2064.7135 1957.8324 104.5418 -206238.1311 17740.5355 0.0000 0.0000 34143.5043 -149447.0584 298.1837 -183590.5627 -149356.9828 297.9609 -202.8394 -170.7624 558492.4410 -7.1471 -7.0091 PRESSURE: 4766000 -62.003 89.7726 92.525 89.7734 -100.784 84.4357 92.5251 84.4343 -86.3278 GPRESSURE: 4766000 -17.5299 144.093 71.0319 55.1912 -108.143 56.7485 20.3267 64.9748 -22.3947 PRESSAVG: 4766000 -13.3177 13.2791 3.26492 13.2791 -27.5712 32.6718 3.26489 32.6718 63.9355 GPRESSAVG: 4766000 -13.8502 16.0865 2.90376 11.4999 -28.3216 33.6881 2.48168 31.8555 65.4523 TIMING: 4766000 CPU: 13849.9, 0.00291459/step Wall: 13849.9, 0.00291459/step, 0.189448 hours remaining, 207.875000 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: 4766000 736.4543 2140.3270 1967.6115 115.9886 -206042.2400 17643.2054 0.0000 0.0000 33976.8168 -149461.8365 296.7280 -183438.6533 -149376.1337 298.5844 -83.0383 -49.3559 557824.5357 7.6822 7.7602 PRESSURE: 4766200 -146.584 52.1204 -96.6508 52.1211 -55.6842 129.977 -96.6496 129.977 -311.367 GPRESSURE: 4766200 -113.82 88.8491 -133.715 44.1214 -54.1537 74.8853 -33.1138 116.997 -253.834 PRESSAVG: 4766200 -9.548 38.9417 15.3378 38.9416 -20.8103 2.97444 15.3378 2.97434 -7.14789 GPRESSAVG: 4766200 -9.0575 36.7941 15.7134 40.4555 -21.9569 2.60534 14.2998 2.12481 -5.89226 TIMING: 4766200 CPU: 13850.4, 0.00290579/step Wall: 13850.4, 0.00290579/step, 0.188715 hours remaining, 207.875000 MB of memory in use. ENERGY: 4766200 720.7267 2128.0419 1963.1387 122.6420 -206182.7945 17547.3104 0.0000 0.0000 34113.4227 -149587.5121 297.9210 -183700.9348 -149494.8014 297.6642 -171.2118 -140.6026 557476.7799 -12.5021 -12.3022 PRESSURE: 4766400 6.65821 -49.7171 115.302 -49.7153 -197.366 109.157 115.302 109.158 -40.7764 GPRESSURE: 4766400 72.3349 -37.2202 173.515 -126.644 -208.552 131.151 104.68 108.071 -3.20261 PRESSAVG: 4766400 -19.8794 -18.0999 40.2468 -18.0998 11.9272 -3.3421 40.2469 -3.34213 4.99582 GPRESSAVG: 4766400 -19.8962 -18.2219 38.9712 -18.5208 12.9483 -3.93967 40.5602 -1.95181 4.54027 TIMING: 4766400 CPU: 13851, 0.00291416/step Wall: 13851, 0.00291416/step, 0.189097 hours remaining, 207.875000 MB of memory in use. ENERGY: 4766400 782.0850 2075.0252 1967.6161 103.5609 -206447.3500 17788.7459 0.0000 0.0000 34252.1273 -149478.1896 299.1323 -183730.3169 -149387.3681 298.3245 -77.1614 -46.4732 556794.3022 -0.9855 -0.8025 PRESSURE: 4766600 57.3369 -81.5546 90.2945 -81.5536 236.274 50.0888 90.2952 50.0902 185.204 GPRESSURE: 4766600 76.9578 -34.7976 65.1946 -76.0477 307.044 -0.435226 27.3945 54.7626 180.803 PRESSAVG: 4766600 -12.0403 -34.6924 -67.8783 -34.6925 33.4869 66.9448 -67.8783 66.9448 2.83197 GPRESSAVG: 4766600 -11.5804 -33.9982 -68.1895 -35.5733 32.9653 67.7247 -68.4746 67.4047 3.27912 TIMING: 4766600 CPU: 13851.6, 0.00291539/step Wall: 13851.6, 0.00291539/step, 0.189014 hours remaining, 207.875000 MB of memory in use. ENERGY: 4766600 746.8395 2092.7595 1970.3805 110.3373 -206595.7556 18092.7708 0.0000 0.0000 34151.6361 -149431.0319 298.2547 -183582.6680 -149339.2866 298.0938 159.6051 188.2681 554983.6969 8.0929 8.2213 PRESSURE: 4766800 -255.842 -2.99319 -248.657 -2.9935 24.3442 93.436 -248.656 93.4356 -44.1693 GPRESSURE: 4766800 -236.3 3.6811 -255.494 -38.2107 84.6918 21.4322 -246.944 62.4999 -25.8056 PRESSAVG: 4766800 -58.556 12.8474 -30.8675 12.8474 68.0456 8.97396 -30.8675 8.97386 -8.54946 GPRESSAVG: 4766800 -58.7643 12.4369 -28.568 13.3642 68.2327 7.10056 -30.5849 7.8045 -8.88788 TIMING: 4766800 CPU: 13852.2, 0.00291348/step Wall: 13852.2, 0.00291348/step, 0.188729 hours remaining, 207.925781 MB of memory in use. ENERGY: 4766800 698.5721 2032.8622 1960.9325 104.3517 -205946.3349 17558.9146 0.0000 0.0000 33988.8251 -149601.8767 296.8329 -183590.7018 -149510.9458 298.0982 -91.8892 -59.1380 557141.2939 0.3134 0.1935 PRESSURE: 4767000 -184.278 115.354 -85.4294 115.352 -221.403 138.448 -85.429 138.447 -321.19 GPRESSURE: 4767000 -230.765 141.693 -75.7675 113.995 -99.262 130.637 -82.6826 119.332 -295.025 PRESSAVG: 4767000 -13.0636 -20.3716 -26.7775 -20.3716 34.5938 23.5763 -26.7775 23.5762 -30.7153 GPRESSAVG: 4767000 -12.9274 -19.4578 -28.0278 -23.1662 35.0507 26.1934 -26.737 23.1612 -31.7819 TIMING: 4767000 CPU: 13852.8, 0.00290944/step Wall: 13852.8, 0.00290944/step, 0.188305 hours remaining, 207.925781 MB of memory in use. ENERGY: 4767000 733.7039 2116.1631 1985.3106 115.3587 -205730.8386 17470.0127 0.0000 0.0000 33974.2803 -149336.0094 296.7058 -183310.2897 -149252.4927 298.2093 -242.2906 -208.3505 558259.0985 -3.0617 -3.2195 PRESSURE: 4767200 -222.157 41.5289 -27.7375 41.5298 107.045 -154.354 -27.7371 -154.354 -14.844 GPRESSURE: 4767200 -215.254 19.1225 -18.234 3.30009 158.307 -95.9665 -3.10283 -218.994 12.0783 PRESSAVG: 4767200 -26.5342 -24.2548 10.9373 -24.2548 2.91978 50.083 10.9373 50.083 12.0003 GPRESSAVG: 4767200 -26.9228 -26.6752 10.1298 -21.4409 1.84512 47.8913 12.3048 51.1889 13.4492 TIMING: 4767200 CPU: 13853.4, 0.00293827/step Wall: 13853.4, 0.00293827/step, 0.190008 hours remaining, 207.925781 MB of memory in use. ENERGY: 4767200 710.3184 2070.4354 1975.5958 108.9076 -206246.2540 17710.4330 0.0000 0.0000 34306.1644 -149364.3995 299.6043 -183670.5639 -149264.3161 299.4205 -43.3186 -14.9562 557097.0477 -3.8714 -3.8762 PRESSURE: 4767400 -290.453 -51.0295 -56.1573 -51.0293 -136.248 60.8365 -56.1559 60.8374 -10.5376 GPRESSURE: 4767400 -234.045 -60.4176 -77.9042 -75.4451 -120.428 86.0981 74.6912 72.8778 29.0436 PRESSAVG: 4767400 -45.8749 -25.5512 21.1236 -25.5512 74.7036 16.4222 21.1235 16.4222 65.7796 GPRESSAVG: 4767400 -46.1818 -24.5617 21.7407 -26.6374 75.5761 17.4816 21.023 17.8827 66.0155 TIMING: 4767400 CPU: 13853.9, 0.00290853/step Wall: 13853.9, 0.00290853/step, 0.187923 hours remaining, 207.925781 MB of memory in use. ENERGY: 4767400 722.4893 2087.2654 1937.2695 122.1544 -206249.2977 17717.3004 0.0000 0.0000 34268.2394 -149394.5793 299.2731 -183662.8187 -149300.5220 298.6187 -145.7463 -108.4764 558703.5735 31.5361 31.8033 PRESSURE: 4767600 -23.7269 -36.8591 -83.5331 -36.8587 93.7385 8.66197 -83.5327 8.65919 82.5046 GPRESSURE: 4767600 45.2125 -43.7596 -103.108 -59.8828 122.834 -18.6442 -125.966 -54.2173 75.7554 PRESSAVG: 4767600 -80.8873 2.52299 61.5906 2.52288 16.6312 -27.223 61.5906 -27.223 21.7138 GPRESSAVG: 4767600 -79.9537 3.10757 61.3828 2.96751 15.5912 -26.9984 59.8838 -29.1566 20.734 TIMING: 4767600 CPU: 13854.5, 0.00290476/step Wall: 13854.5, 0.00290476/step, 0.187518 hours remaining, 207.925781 MB of memory in use. ENERGY: 4767600 740.9401 2095.7517 1995.9452 107.7954 -206333.2132 17972.8721 0.0000 0.0000 34024.2181 -149395.6904 297.1420 -183419.9086 -149302.2075 298.3558 50.8387 81.2674 559169.0676 -14.1807 -14.5428 PRESSURE: 4767800 81.4445 -52.5915 36.6821 -52.5905 190.86 -56.3113 36.6835 -56.3123 125.343 GPRESSURE: 4767800 138.27 -75.3927 -15.6891 -91.3054 151.937 -17.183 72.2298 -113.677 190.473 PRESSAVG: 4767800 -47.8382 -17.979 -69.9568 -17.979 25.191 -43.199 -69.9568 -43.199 1.90928 GPRESSAVG: 4767800 -48.8022 -19.007 -71.5251 -17.6439 25.7508 -43.315 -69.5895 -42.034 2.60316 TIMING: 4767800 CPU: 13855.1, 0.00291048/step Wall: 13855.1, 0.00291048/step, 0.187726 hours remaining, 207.925781 MB of memory in use. ENERGY: 4767800 773.1948 2090.6960 1975.2243 104.4163 -206571.3605 18123.4273 0.0000 0.0000 34137.3136 -149367.0883 298.1296 -183504.4019 -149278.5600 298.2597 132.5490 160.2266 557421.4750 -6.9127 -6.8161 PRESSURE: 4768000 -281.199 74.6051 -107.763 74.6054 -149.382 -113.637 -107.763 -113.637 268.579 GPRESSURE: 4768000 -236.276 25.5898 -159.405 78.5499 -108.128 -54.1528 -93.8812 -196.46 273.044 PRESSAVG: 4768000 -66.6906 4.73661 -71.1639 4.7366 -48.122 -16.9852 -71.164 -16.9852 136.821 GPRESSAVG: 4768000 -66.0729 6.66333 -70.0842 1.36527 -49.5573 -17.9406 -71.038 -18.2304 136.962 TIMING: 4768000 CPU: 13855.7, 0.00291876/step Wall: 13855.7, 0.00291877/step, 0.188098 hours remaining, 207.925781 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: 4768000 728.0703 2099.1817 1972.8882 115.1892 -206456.2356 17765.7954 0.0000 0.0000 34288.9552 -149486.1556 299.4540 -183775.1108 -149387.8870 298.2334 -54.0007 -23.7867 557013.7360 7.3361 7.1107 PRESSURE: 4768200 -167.458 18.9217 -12.1325 18.9216 64.1782 -119.998 -12.132 -120 114.543 GPRESSURE: 4768200 -147.676 124.923 -50.9041 -43.6448 102.245 -88.7099 -109.434 -169.46 154.319 PRESSAVG: 4768200 -19.7885 -17.8912 2.95955 -17.8912 -13.4199 -74.7516 2.95955 -74.7515 23.7087 GPRESSAVG: 4768200 -18.7815 -20.1584 4.22047 -15.1074 -13.1668 -73.0486 2.20771 -76.09 22.6307 TIMING: 4768200 CPU: 13856.3, 0.00293164/step Wall: 13856.3, 0.00293164/step, 0.188765 hours remaining, 207.925781 MB of memory in use. ENERGY: 4768200 789.2037 2070.0308 1979.5616 107.1672 -206561.5515 18039.9157 0.0000 0.0000 34151.8191 -149423.8533 298.2563 -183575.6724 -149322.0975 298.7631 3.7544 36.2964 557306.4832 -3.1666 -3.1059 LDB: ============= START OF LOAD BALANCING ============== 13859.7 LDB: ============== END OF LOAD BALANCING =============== 13859.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13859.7 LDB: ============= START OF LOAD BALANCING ============== 13860 LDB: Largest compute 4848 load 0.030699 is 26.0% of average load 0.117862 LDB: Average compute 0.001741 is 1.5% of average load 0.117862 LDB: TIME 13860 LOAD: AVG 0.117862 MAX 0.189116 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.844 MB LDB: TIME 13860 LOAD: AVG 0.117862 MAX 0.189116 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 13860 LOAD: AVG 0.117862 MAX 0.189116 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: ============== END OF LOAD BALANCING =============== 13860 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13860 PRESSURE: 4768400 408.324 168.633 140.018 168.633 168.385 -51.1278 140.018 -51.1281 -71.942 GPRESSURE: 4768400 425.971 125.949 137.897 151.498 159.358 -167.457 186.991 -67.7371 16.1509 PRESSAVG: 4768400 -18.8067 -2.87469 25.998 -2.87477 47.7723 -28.5253 25.998 -28.5253 -55.2126 GPRESSAVG: 4768400 -19.699 -2.04302 24.5166 -2.66441 46.9822 -28.6889 28.1871 -29.0185 -53.9411 TIMING: 4768400 CPU: 13856.9, 0.00297077/step Wall: 13856.9, 0.00297077/step, 0.191119 hours remaining, 208.011719 MB of memory in use. ENERGY: 4768400 727.8195 2134.2216 1932.7837 130.9202 -206554.1203 18061.6983 0.0000 0.0000 34332.1511 -149234.5258 299.8312 -183566.6769 -149148.5065 299.1674 168.2556 200.4934 556368.1874 -8.7490 -8.8860 PRESSURE: 4768600 19.0384 -7.4565 -68.9213 -7.45656 26.4925 83.2719 -68.9213 83.2727 -135.838 GPRESSURE: 4768600 -9.01323 13.5241 -82.4041 50.629 34.1573 127.813 -94.3572 39.4373 -16.6327 PRESSAVG: 4768600 27.9566 21.0639 85.0572 21.064 4.32394 25.8942 85.0572 25.8942 -34.3586 GPRESSAVG: 4768600 27.7158 19.5248 86.5907 20.9535 5.04673 24.7751 84.5982 26.5512 -35.073 TIMING: 4768600 CPU: 13857.4, 0.00287791/step Wall: 13857.4, 0.00287791/step, 0.184985 hours remaining, 208.156250 MB of memory in use. ENERGY: 4768600 782.5783 2151.8537 1999.5136 119.9195 -206061.8268 17777.5285 0.0000 0.0000 34147.7617 -149082.6713 298.2209 -183230.4331 -148988.9029 299.8972 -30.1025 2.8371 557029.2805 -0.6927 -0.7702 PRESSURE: 4768800 -0.123724 142.465 -90.9061 142.464 -77.1007 -116.158 -90.9054 -116.158 -151.479 GPRESSURE: 4768800 -57.8575 153.081 -66.3824 120.956 58.5236 -51.6287 4.20937 -172.735 -125.573 PRESSAVG: 4768800 -28.4913 73.4651 3.48985 73.4652 -14.4432 -21.0663 3.48979 -21.0663 9.68024 GPRESSAVG: 4768800 -28.4172 73.0684 2.78617 73.0938 -14.5359 -21.7226 3.67487 -18.8233 9.38531 TIMING: 4768800 CPU: 13858, 0.00290378/step Wall: 13858, 0.00290378/step, 0.186487 hours remaining, 208.156250 MB of memory in use. ENERGY: 4768800 720.0437 2134.8879 1973.8471 119.7990 -206080.1730 17708.9752 0.0000 0.0000 34503.1408 -148919.4793 301.3245 -183422.6201 -148813.8887 300.2982 -76.2343 -41.6356 558310.5134 -11.0848 -11.1893 PRESSURE: 4769000 -25.0031 -161.833 81.4717 -161.834 -240.3 157.319 81.4721 157.319 -50.3549 GPRESSURE: 4769000 -35.8174 -206.051 2.42935 -243.535 -204.742 204.887 87.5583 188.422 20.153 PRESSAVG: 4769000 -17.1527 63.9226 69.7724 63.9226 26.8604 11.1904 69.7724 11.1904 9.7723 GPRESSAVG: 4769000 -17.718 65.4277 70.1844 63.0126 28.0758 11.8299 70.3489 9.73629 9.11185 TIMING: 4769000 CPU: 13858.6, 0.00290724/step Wall: 13858.6, 0.00290724/step, 0.186548 hours remaining, 208.359375 MB of memory in use. ENERGY: 4769000 719.0138 2090.2267 1984.2853 115.7367 -205556.5363 17588.5287 0.0000 0.0000 34129.4246 -148929.3205 298.0608 -183058.7450 -148828.7045 300.1511 -105.2195 -73.4688 558623.4596 6.4933 6.4899 PRESSURE: 4769200 30.0964 43.8118 23.9499 43.8121 -205.747 -13.7106 23.949 -13.71 120.664 GPRESSURE: 4769200 128.333 67.9678 78.2371 70.9695 -216.331 55.507 -2.27278 2.72115 136.175 PRESSAVG: 4769200 9.59329 9.46927 30.4716 9.46947 -4.4674 6.26651 30.4716 6.26652 10.2902 GPRESSAVG: 4769200 11.1499 10.1124 30.2924 8.85514 -5.82981 4.77747 27.3541 8.18296 10.1138 TIMING: 4769200 CPU: 13859.2, 0.0029112/step Wall: 13859.2, 0.0029112/step, 0.18664 hours remaining, 208.359375 MB of memory in use. ENERGY: 4769200 719.0975 2124.7581 1980.1498 105.7896 -206066.6679 17703.4641 0.0000 0.0000 34392.0253 -149041.3834 300.3541 -183433.4088 -148948.6815 299.4631 -18.3288 16.0593 558772.5568 5.1387 5.1446 PRESSURE: 4769400 156.403 -32.522 88.961 -32.5238 -44.1923 -120.588 88.9597 -120.59 268.294 GPRESSURE: 4769400 149.844 -59.9364 74.7827 6.13778 13.8605 -113.501 93.5689 -132.824 309.394 PRESSAVG: 4769400 -22.1286 -54.1186 58.8528 -54.1186 -8.06954 -25.3838 58.8528 -25.3838 15.9092 GPRESSAVG: 4769400 -24.8046 -53.7675 58.5695 -52.3547 -6.78235 -23.0034 60.1156 -28.0984 16.7163 TIMING: 4769400 CPU: 13859.8, 0.00294682/step Wall: 13859.8, 0.00294682/step, 0.18876 hours remaining, 208.359375 MB of memory in use. ENERGY: 4769400 748.0355 2048.6190 2008.2785 112.6673 -206178.6767 17859.1753 0.0000 0.0000 34255.0485 -149146.8526 299.1579 -183401.9011 -149053.9003 299.9399 126.8352 157.6994 557650.7334 -4.7630 -4.9569 PRESSURE: 4769600 -335.013 -160.759 -3.39086 -160.759 26.7832 31.5149 -3.39206 31.513 41.5579 GPRESSURE: 4769600 -336.684 -149.921 -65.9746 -165.313 92.987 -10.6223 56.225 54.2307 61.1546 PRESSAVG: 4769600 -90.8117 29.115 -6.00179 29.115 50.4006 -11.797 -6.00183 -11.7972 77.7197 GPRESSAVG: 4769600 -91.1842 29.2099 -5.6796 28.1649 50.6594 -15.5884 -4.38812 -9.53234 77.7766 TIMING: 4769600 CPU: 13860.4, 0.00293643/step Wall: 13860.4, 0.00293643/step, 0.187931 hours remaining, 208.359375 MB of memory in use. ENERGY: 4769600 728.8517 2107.6441 1942.6335 102.2463 -205834.3290 17522.5266 0.0000 0.0000 34183.1944 -149247.2324 298.5303 -183430.4268 -149144.0279 299.2155 -88.8905 -60.8475 557324.8186 12.4362 12.4173 PRESSURE: 4769800 22.8315 64.0319 -119.373 64.0324 -66.916 -17.9996 -119.372 -17.9991 38.1663 GPRESSURE: 4769800 88.0687 144.341 -25.1489 108.279 -33.342 -117.503 -132.511 26.2704 31.121 PRESSAVG: 4769800 -109.524 75.6143 -2.11363 75.6142 -7.97467 -44.5078 -2.11365 -44.5077 76.0803 GPRESSAVG: 4769800 -108.397 75.4705 -1.67641 75.7303 -8.24013 -41.1462 -4.86021 -45.1198 74.8151 TIMING: 4769800 CPU: 13860.9, 0.00290634/step Wall: 13860.9, 0.00290634/step, 0.185845 hours remaining, 208.359375 MB of memory in use. ENERGY: 4769800 744.5476 2058.8052 1958.8542 119.6854 -206216.2124 17780.7810 0.0000 0.0000 34295.8240 -149257.7150 299.5140 -183553.5391 -149153.2965 299.3788 -1.9727 28.6159 557265.5856 -13.8061 -13.9408 PRESSURE: 4770000 1.77196 109.423 -87.7798 109.424 101.66 -109.632 -87.7781 -109.633 21.5621 GPRESSURE: 4770000 25.8086 14.4813 -187.976 212.827 144.674 -173.577 -91.116 -146.37 47.7669 PRESSAVG: 4770000 -39.7911 53.9193 -10.4365 53.9193 38.7177 -19.2556 -10.4365 -19.2556 31.927 GPRESSAVG: 4770000 -39.3619 53.5921 -10.7963 54.481 37.0518 -19.4704 -9.5196 -20.7247 32.7303 TIMING: 4770000 CPU: 13861.5, 0.00290987/step Wall: 13861.5, 0.00290987/step, 0.185908 hours remaining, 208.359375 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: 4770000 735.7544 2079.8910 1986.9962 118.2583 -206620.1848 18107.7958 0.0000 0.0000 34212.9448 -149378.5443 298.7902 -183591.4891 -149278.0150 298.8460 41.6648 72.7499 557859.4891 10.2845 10.1401 PRESSURE: 4770200 -80.0619 19.6672 -136.141 19.6685 44.8758 -169.384 -136.139 -169.385 -88.5676 GPRESSURE: 4770200 -6.46131 18.1509 -135.485 -18.3221 60.3676 -168.024 -79.9774 -64.4012 -96.1614 PRESSAVG: 4770200 -46.016 12.2893 -63.7965 12.2892 17.3377 -71.3244 -63.7965 -71.3243 25.9575 GPRESSAVG: 4770200 -46.2336 12.564 -63.9643 11.3223 18.6601 -71.6821 -63.3995 -71.4709 25.0758 TIMING: 4770200 CPU: 13862.1, 0.0029224/step Wall: 13862.1, 0.0029224/step, 0.186547 hours remaining, 208.359375 MB of memory in use. ENERGY: 4770200 738.6372 1991.5245 1933.5208 107.2496 -206244.4613 17879.6105 0.0000 0.0000 34184.9835 -149408.9352 298.5460 -183593.9187 -149309.6006 298.7137 -41.2512 -14.0850 558062.7566 -0.9069 -0.8326 PRESSURE: 4770400 -63.0988 -16.1691 265.491 -16.1675 118.56 -41.1201 265.49 -41.1199 39.0558 GPRESSURE: 4770400 -17.7856 -22.2526 339.954 -18.9828 206.806 -100.348 228.068 -66.2878 -2.53427 PRESSAVG: 4770400 -4.61312 1.5678 10.1195 1.56779 53.502 -56.6992 10.1195 -56.6991 -45.977 GPRESSAVG: 4770400 -5.11787 1.89645 10.9184 0.766871 53.7919 -56.6903 10.0183 -54.9546 -45.7343 TIMING: 4770400 CPU: 13862.7, 0.00289229/step Wall: 13862.7, 0.00289229/step, 0.184464 hours remaining, 208.562500 MB of memory in use. ENERGY: 4770400 755.8417 2074.9264 1976.2128 111.2847 -206558.8058 17933.9554 0.0000 0.0000 34411.0244 -149295.5605 300.5200 -183706.5849 -149203.3596 299.6492 31.5056 62.1620 556387.3875 0.9706 0.9799 PRESSURE: 4770600 -33.0717 23.2268 -32.5805 23.2269 -198.189 -68.0003 -32.5803 -68.0007 -77.925 GPRESSURE: 4770600 57.1548 155.116 0.524243 6.64281 -190.384 -137.008 -1.36609 -91.545 -81.3757 PRESSAVG: 4770600 -10.4326 -50.3273 25.8407 -50.3273 -24.3371 -50.7694 25.8406 -50.7692 40.704 GPRESSAVG: 4770600 -10.1771 -51.6069 26.8605 -49.0321 -24.7872 -51.3015 24.2394 -51.0985 40.4603 TIMING: 4770600 CPU: 13863.3, 0.00289879/step Wall: 13863.3, 0.00289879/step, 0.184718 hours remaining, 208.562500 MB of memory in use. ENERGY: 4770600 723.0108 2130.8439 1960.9372 109.9288 -206221.7514 17763.5003 0.0000 0.0000 34328.4204 -149205.1099 299.7986 -183533.5303 -149104.3954 299.0674 -103.0621 -71.5348 557003.5670 1.9781 1.8320 PRESSURE: 4770800 -90.1698 55.3629 -69.103 55.363 185.37 -138.187 -69.1039 -138.185 72.4792 GPRESSURE: 4770800 -35.1135 136.689 -37.5806 18.984 192.124 -218.169 -40.6528 -82.1109 106.916 PRESSAVG: 4770800 13.6262 -13.73 -18.6218 -13.73 -27.2938 -28.2751 -18.622 -28.2751 25.3574 GPRESSAVG: 4770800 13.7283 -12.7355 -20.9711 -14.1398 -27.6648 -27.5056 -18.5988 -29.8678 25.8604 TIMING: 4770800 CPU: 13863.8, 0.00288916/step Wall: 13863.8, 0.00288916/step, 0.183943 hours remaining, 208.562500 MB of memory in use. ENERGY: 4770800 760.3393 2043.4796 1975.4901 111.4240 -206495.6671 18065.0417 0.0000 0.0000 34443.1088 -149096.7836 300.8002 -183539.8924 -149001.5469 299.2092 55.8930 87.9758 558274.0967 3.8966 3.9746 PRESSURE: 4771000 -308.636 -85.1671 20.5256 -85.1667 -347.167 -80.4497 20.5263 -80.4513 -404.343 GPRESSURE: 4771000 -257.549 -104.773 7.02924 -95.9473 -249.486 -86.9445 56.5294 9.14245 -451.288 PRESSAVG: 4771000 10.4658 -72.9563 16.7788 -72.9564 39.6395 -7.09947 16.7788 -7.09945 -29.2224 GPRESSAVG: 4771000 10.8608 -73.6741 18.3063 -72.003 40.245 -8.40315 19.6783 -6.31118 -30.1494 TIMING: 4771000 CPU: 13864.4, 0.00287866/step Wall: 13864.4, 0.00287866/step, 0.183115 hours remaining, 208.562500 MB of memory in use. ENERGY: 4771000 775.2516 2112.0922 1984.1725 116.6152 -205609.3299 17366.2252 0.0000 0.0000 34121.3280 -149133.6452 297.9900 -183254.9732 -149043.1474 299.6092 -353.3822 -319.4410 558548.5362 6.9610 6.9855 PRESSURE: 4771200 -184.621 -81.9666 122.052 -81.9661 -248.727 -25.7574 122.052 -25.7599 -254.821 GPRESSURE: 4771200 -139.983 -120.914 46.6891 -88.02 -188.878 -87.3509 176.87 -21.0949 -265.489 PRESSAVG: 4771200 -51.5769 -22.828 51.2491 -22.828 28.0408 43.7172 51.2491 43.7173 35.9303 GPRESSAVG: 4771200 -52.5818 -24.6442 49.2849 -23.3019 27.2176 43.4787 51.0089 44.6775 37.4396 TIMING: 4771200 CPU: 13865, 0.00289175/step Wall: 13865, 0.00289175/step, 0.183787 hours remaining, 208.562500 MB of memory in use. ENERGY: 4771200 746.8208 2076.8098 1981.7622 127.5058 -205823.8557 17547.5380 0.0000 0.0000 34239.9344 -149103.4847 299.0259 -183343.4191 -149005.9142 299.1371 -229.3899 -198.1169 559329.4919 4.1314 4.0251 PRESSURE: 4771400 131.404 -83.952 -81.8142 -83.9526 -44.0924 70.1314 -81.8139 70.1296 -46.8048 GPRESSURE: 4771400 117.336 -95.0825 -41.4519 -173.734 -2.70622 52.2096 -112.618 72.9095 21.8549 PRESSAVG: 4771400 -63.4223 -15.8906 25.443 -15.8906 27.9748 -14.4485 25.4431 -14.4485 15.8925 GPRESSAVG: 4771400 -63.003 -14.1411 25.6056 -15.0424 29.5424 -11.6284 23.6997 -14.9165 14.2779 TIMING: 4771400 CPU: 13865.6, 0.00288818/step Wall: 13865.6, 0.00288818/step, 0.1834 hours remaining, 208.562500 MB of memory in use. ENERGY: 4771400 722.2014 2136.0010 2007.5016 109.9025 -206111.2929 17831.8480 0.0000 0.0000 34051.1869 -149252.6515 297.3775 -183303.8385 -149150.8460 298.9483 13.5024 45.4947 558154.0198 -6.5183 -6.3942 PRESSURE: 4771600 -40.9074 159.322 -147.121 159.323 -20.0414 -24.521 -147.121 -24.5208 326.355 GPRESSURE: 4771600 60.8697 113.659 -137.516 230.956 1.29373 -42.7887 -58.2317 -99.0008 304.731 PRESSAVG: 4771600 31.5341 -2.68113 -1.57668 -2.68117 -26.1507 -7.43859 -1.5767 -7.43867 6.48858 GPRESSAVG: 4771600 31.4514 -5.62049 0.693719 -2.15438 -26.3271 -10.2421 -1.71404 -7.4534 6.55974 TIMING: 4771600 CPU: 13866.2, 0.0029137/step Wall: 13866.2, 0.0029137/step, 0.184858 hours remaining, 208.562500 MB of memory in use. ENERGY: 4771600 711.4934 2130.5343 1987.0565 119.8314 -206477.9018 18052.9972 0.0000 0.0000 34348.7398 -149127.2492 299.9761 -183475.9890 -149039.1145 299.4384 88.4688 122.2982 558160.5150 3.9573 3.8947 PRESSURE: 4771800 87.4023 53.5253 61.206 53.5264 -161.11 -3.2156 61.2065 -3.21626 46.5764 GPRESSURE: 4771800 108.154 14.8524 -14.3961 113.259 -127.798 -26.7307 133.755 9.71321 94.2434 PRESSAVG: 4771800 20.0112 31.3294 36.046 31.3294 -57.2838 21.0714 36.046 21.0715 6.86976 GPRESSAVG: 4771800 18.8961 32.9311 33.4794 30.5024 -57.8016 22.8959 36.4845 20.0056 7.59192 TIMING: 4771800 CPU: 13866.7, 0.00291622/step Wall: 13866.7, 0.00291622/step, 0.184856 hours remaining, 208.562500 MB of memory in use. ENERGY: 4771800 710.0805 2183.8243 1946.7660 117.3319 -206499.6134 17951.2440 0.0000 0.0000 34294.9857 -149295.3811 299.5066 -183590.3668 -149203.6206 299.0616 -9.0437 24.8665 557079.4900 -10.1343 -10.4378 PRESSURE: 4772000 -111.574 36.1729 0.0267588 36.1725 52.3635 21.2385 0.0265077 21.239 -185.699 GPRESSURE: 4772000 -44.512 76.2057 63.8765 -8.18998 32.6685 -73.4448 -123.847 80.7131 -134.535 PRESSAVG: 4772000 33.008 4.49013 24.1378 4.49016 -21.0477 29.0687 24.1378 29.0688 -7.22523 GPRESSAVG: 4772000 33.7422 3.45545 25.3446 7.14941 -21.1673 27.7337 22.616 29.573 -8.13514 TIMING: 4772000 CPU: 13867.3, 0.00292291/step Wall: 13867.3, 0.00292291/step, 0.185118 hours remaining, 208.562500 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: 4772000 751.1915 2084.6575 1955.7889 115.8811 -205948.6262 17714.2383 0.0000 0.0000 34339.0634 -148987.8055 299.8916 -183326.8689 -148888.6711 299.8156 -81.6367 -48.7928 557472.6088 1.5783 1.4799 PRESSURE: 4772200 71.1879 20.2298 41.6813 20.2288 -339.908 100.253 41.6797 100.254 46.7006 GPRESSURE: 4772200 60.1658 -33.3431 80.0732 30.4108 -325.837 159.891 0.136497 87.1464 135.818 PRESSAVG: 4772200 -4.98734 4.49392 -29.0047 4.49399 6.64359 -28.6763 -29.0048 -28.6762 -20.6867 GPRESSAVG: 4772200 -5.21825 7.74989 -27.4978 1.17563 7.06596 -27.9088 -28.0396 -29.789 -21.1372 TIMING: 4772200 CPU: 13867.9, 0.002939/step Wall: 13867.9, 0.002939/step, 0.185973 hours remaining, 208.562500 MB of memory in use. ENERGY: 4772200 763.3414 2054.7904 1969.7763 119.5230 -206005.4254 17755.3787 0.0000 0.0000 34290.3611 -149052.2544 299.4663 -183342.6155 -148958.9339 299.4791 -74.0065 -43.2844 558739.7791 -6.3435 -6.4298 LDB: ============= START OF LOAD BALANCING ============== 13871.4 LDB: ============== END OF LOAD BALANCING =============== 13871.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13871.4 LDB: ============= START OF LOAD BALANCING ============== 13871.7 LDB: Largest compute 4848 load 0.031069 is 26.4% of average load 0.117844 LDB: Average compute 0.001733 is 1.5% of average load 0.117844 LDB: TIME 13871.7 LOAD: AVG 0.117844 MAX 0.188259 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 13871.7 LOAD: AVG 0.117844 MAX 0.188259 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: TIME 13871.7 LOAD: AVG 0.117844 MAX 0.188259 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.645 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13871.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13871.7 PRESSURE: 4772400 191.478 123.846 -25.2624 123.846 -197.861 -7.19354 -25.2632 -7.19262 -5.60046 GPRESSURE: 4772400 215.277 102.576 -28.0621 121.088 -145.171 -56.7412 37.9534 -36.1472 5.93482 PRESSAVG: 4772400 -25.8723 19.9169 0.697979 19.9169 -11.8643 -14.3478 0.697991 -14.3477 21.0926 GPRESSAVG: 4772400 -26.0659 19.0902 -2.17319 20.215 -12.6737 -15.6679 2.34499 -11.3229 22.3867 TIMING: 4772400 CPU: 13868.5, 0.00298202/step Wall: 13868.5, 0.00298202/step, 0.18853 hours remaining, 208.511719 MB of memory in use. ENERGY: 4772400 730.1817 2107.2674 1988.3835 118.3626 -206169.4619 17916.4095 0.0000 0.0000 34165.6244 -149143.2328 298.3769 -183308.8573 -149047.4725 299.0406 -3.9945 25.3469 558353.0703 -5.5480 -5.4510 PRESSURE: 4772600 -216.308 56.4333 94.8005 56.432 -106.895 -12.3786 94.8005 -12.38 4.10777 GPRESSURE: 4772600 -154.173 81.4843 63.1819 52.8392 -89.5741 -16.9894 158.957 65.0402 31.0398 PRESSAVG: 4772600 61.4949 2.6323 59.8654 2.63236 -3.38587 6.3026 59.8654 6.30255 -57.0377 GPRESSAVG: 4772600 61.4592 2.16032 61.2022 4.49812 -3.25427 8.59568 58.5084 2.70263 -57.1572 TIMING: 4772600 CPU: 13869.1, 0.0029173/step Wall: 13869.1, 0.0029173/step, 0.184276 hours remaining, 208.714844 MB of memory in use. ENERGY: 4772600 754.9674 2113.0257 1951.4184 117.3564 -205950.6806 17557.3146 0.0000 0.0000 34172.5054 -149284.0928 298.4370 -183456.5982 -149188.2356 299.0823 -106.3649 -70.9025 557651.1233 0.3571 0.3493 PRESSURE: 4772800 79.8248 -146.264 -83.0507 -146.265 11.521 15.9767 -83.0511 15.9795 -182.285 GPRESSURE: 4772800 108.984 -91.1768 -135.873 -195.767 79.5696 52.797 -13.6661 4.96435 -172.834 PRESSAVG: 4772800 1.03052 17.8398 41.6894 17.8397 41.2089 -13.7244 41.6894 -13.7245 -14.1643 GPRESSAVG: 4772800 0.0680544 16.1642 43.7309 17.8432 42.2098 -12.7361 41.3361 -14.5126 -14.277 TIMING: 4772800 CPU: 13869.7, 0.00290199/step Wall: 13869.7, 0.00290199/step, 0.183148 hours remaining, 208.714844 MB of memory in use. ENERGY: 4772800 727.6425 2111.1339 2001.6658 116.5084 -206633.7687 18161.9708 0.0000 0.0000 34256.0987 -149258.7487 299.1670 -183514.8473 -149164.8589 299.3030 -30.3131 5.2400 559168.2608 9.3584 9.3336 PRESSURE: 4773000 -217.151 11.8106 -93.884 11.8118 -224.779 -41.3441 -93.885 -41.3426 -279.717 GPRESSURE: 4773000 -186.694 -25.6771 -101.773 0.0189829 -267.717 -48.9058 -73.4723 43.9299 -195.347 PRESSAVG: 4773000 9.11405 -80.2731 5.38013 -80.2731 -4.52841 -7.76494 5.38007 -7.76493 -29.8397 GPRESSAVG: 4773000 9.61507 -80.9384 2.23274 -80.5655 -4.99545 -9.46287 8.14509 -5.57765 -29.7431 TIMING: 4773000 CPU: 13870.3, 0.0029174/step Wall: 13870.3, 0.0029174/step, 0.183958 hours remaining, 208.714844 MB of memory in use. ENERGY: 4773000 763.9433 2123.8473 1981.8128 117.5720 -205961.2672 17454.7531 0.0000 0.0000 34151.3253 -149368.0133 298.2520 -183519.3386 -149269.3715 298.5148 -240.5489 -216.5858 558306.3559 -8.4180 -8.3745 PRESSURE: 4773200 22.531 -161.109 -113.503 -161.108 -20.7125 13.5515 -113.504 13.5518 61.7542 GPRESSURE: 4773200 89.1299 -260.287 -106.449 -129.941 25.6097 -20.2369 -147.195 -10.8936 53.2374 PRESSAVG: 4773200 0.536895 -4.68754 21.4455 -4.68758 15.9781 17.1019 21.4454 17.1018 -8.5348 GPRESSAVG: 4773200 0.923869 -4.30953 21.169 -6.73735 16.2297 18.3475 19.7316 15.9289 -9.10049 TIMING: 4773200 CPU: 13870.8, 0.00288774/step Wall: 13870.8, 0.00288774/step, 0.181927 hours remaining, 208.714844 MB of memory in use. ENERGY: 4773200 745.7801 2097.8062 1976.4442 115.2746 -206201.6485 17838.2216 0.0000 0.0000 34239.6918 -149188.4299 299.0237 -183428.1217 -149091.2307 299.7271 21.1909 55.9923 557243.3893 2.6601 2.6844 PRESSURE: 4773400 204.57 -84.1284 5.68451 -84.1277 66.2524 -69.8687 5.68377 -69.8676 154.571 GPRESSURE: 4773400 247.119 -147.141 -35.4996 -70.7099 105.431 -62.034 17.205 -44.552 157.954 PRESSAVG: 4773400 -17.201 11.6882 -1.00775 11.6882 -14.8432 -51.7534 -1.00778 -51.7534 60.2299 GPRESSAVG: 4773400 -16.2912 9.85301 -1.20958 14.9875 -14.3942 -52.9308 -0.74608 -50.2519 59.3801 TIMING: 4773400 CPU: 13871.4, 0.00288408/step Wall: 13871.4, 0.00288408/step, 0.181537 hours remaining, 208.714844 MB of memory in use. ENERGY: 4773400 756.1915 2114.7197 1986.9398 124.7168 -206364.7985 18190.7668 0.0000 0.0000 34234.0054 -148957.4586 298.9741 -183191.4640 -148862.9942 299.7939 141.7979 170.1679 558516.2339 9.3952 9.5649 PRESSURE: 4773600 -383.348 -65.4629 37.3735 -65.4634 -148.343 40.362 37.3727 40.3647 -389.658 GPRESSURE: 4773600 -376.065 -14.2826 -17.9465 -33.8572 -119.629 77.5062 60.4214 -38.497 -323.315 PRESSAVG: 4773600 1.41482 29.1179 -5.8174 29.1178 -33.0463 -37.4037 -5.81738 -37.4038 -13.0707 GPRESSAVG: 4773600 0.749931 32 -3.67949 27.1837 -33.9945 -39.8815 -7.28327 -36.3868 -11.2345 TIMING: 4773600 CPU: 13872, 0.00288162/step Wall: 13872, 0.00288162/step, 0.181222 hours remaining, 208.714844 MB of memory in use. ENERGY: 4773600 727.4895 2099.9310 1984.3402 128.1933 -205477.0377 17330.8307 0.0000 0.0000 34331.4698 -148874.7832 299.8253 -183206.2530 -148773.1202 299.7836 -307.1166 -273.0029 559881.5984 -14.9007 -14.8263 PRESSURE: 4773800 -93.7967 27.9171 9.36601 27.9155 -313.635 38.0272 9.36532 38.0276 -181.092 GPRESSURE: 4773800 -105.886 0.601562 81.6316 -32.3827 -314.423 -27.3327 -11.51 -13.714 -67.8853 PRESSAVG: 4773800 -36.0773 32.527 9.66955 32.527 -12.5329 18.8803 9.66957 18.8803 85.4126 GPRESSAVG: 4773800 -35.2868 31.7876 9.88878 32.8063 -11.9234 20.4261 8.76733 20.1873 84.2721 TIMING: 4773800 CPU: 13872.6, 0.00286099/step Wall: 13872.6, 0.00286099/step, 0.179765 hours remaining, 208.714844 MB of memory in use. ENERGY: 4773800 764.5424 2074.6866 1961.9198 112.4945 -205847.6885 17488.7101 0.0000 0.0000 34499.9631 -148945.3720 301.2968 -183445.3351 -148844.3113 300.3387 -196.1747 -162.7313 558148.8448 12.2675 12.3539 PRESSURE: 4774000 -312.596 21.2048 93.262 21.205 -219.193 133.033 93.2615 133.035 -83.2834 GPRESSURE: 4774000 -298.222 -18.6929 49.7353 -22.1498 -92.658 219.031 155.843 108.66 -119.565 PRESSAVG: 4774000 -7.81747 2.0234 -25.1644 2.02335 12.0785 -18.1185 -25.1644 -18.1184 12.7005 GPRESSAVG: 4774000 -7.22006 3.57056 -25.7758 1.50063 12.4225 -17.1286 -23.0261 -20.4972 11.8304 TIMING: 4774000 CPU: 13873.1, 0.00289403/step Wall: 13873.1, 0.00289403/step, 0.181681 hours remaining, 208.714844 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: 4774000 759.3942 2120.4506 1986.2877 117.9195 -205610.1959 17436.8872 0.0000 0.0000 34162.4076 -149026.8490 298.3488 -183189.2566 -148934.7101 300.2617 -205.0242 -170.1481 557335.9917 5.6538 5.6776 PRESSURE: 4774200 3.4272 -35.4778 -147.871 -35.4784 67.9233 1.70519 -147.872 1.7045 72.779 GPRESSURE: 4774200 117.515 49.8665 -165.313 -75.5328 70.3858 64.4331 -170.483 -6.49562 44.7206 PRESSAVG: 4774200 75.8045 -29.969 -6.21534 -29.969 -84.4955 -6.21719 -6.21536 -6.21733 11.7089 GPRESSAVG: 4774200 74.6422 -30.2669 -7.27917 -30.2768 -85.0639 -5.09543 -4.88614 -6.1618 12.9861 TIMING: 4774200 CPU: 13873.7, 0.0028844/step Wall: 13873.7, 0.0028844/step, 0.180916 hours remaining, 208.714844 MB of memory in use. ENERGY: 4774200 767.7426 2047.3676 1943.9502 119.2998 -205873.7687 17747.1932 0.0000 0.0000 34305.6044 -148942.6109 299.5994 -183248.2153 -148843.2123 299.7445 48.0432 77.5405 557460.0259 1.0060 0.8548 PRESSURE: 4774400 148.143 -26.5792 -141.007 -26.58 -66.9098 -64.1513 -141.007 -64.1521 -8.08504 GPRESSURE: 4774400 148.218 -6.83337 -130.907 -90.9307 -57.5487 -55.0803 -132.111 40.0174 59.2226 PRESSAVG: 4774400 -1.42331 28.7871 -13.4916 28.7871 -71.253 27.9943 -13.4916 27.9942 40.4823 GPRESSAVG: 4774400 -0.532495 27.0909 -12.7129 30.5106 -71.8477 25.5486 -14.5062 27.3439 40.3562 TIMING: 4774400 CPU: 13874.3, 0.00289124/step Wall: 13874.3, 0.00289124/step, 0.181184 hours remaining, 208.714844 MB of memory in use. ENERGY: 4774400 723.7068 2069.9079 1954.2903 112.4279 -205851.8767 17569.2079 0.0000 0.0000 34341.7111 -149080.6247 299.9147 -183422.3358 -148978.2260 300.0967 24.3828 49.9639 555991.8062 -10.7313 -10.6747 PRESSURE: 4774600 128.585 -123.706 -122.207 -123.705 -93.0459 -118.66 -122.208 -118.662 -44.6022 GPRESSURE: 4774600 149.988 -92.2074 -128.775 -116.551 -43.4731 -97.378 -205.185 -152.741 -13.2517 PRESSAVG: 4774600 -25.6415 11.4058 -32.6823 11.4059 -4.66162 -8.03848 -32.6824 -8.03845 23.5507 GPRESSAVG: 4774600 -26.4028 12.0638 -32.5256 11.8537 -2.49003 -7.75619 -32.1219 -7.37299 22.8605 TIMING: 4774600 CPU: 13874.9, 0.00288241/step Wall: 13874.9, 0.00288241/step, 0.180471 hours remaining, 208.714844 MB of memory in use. ENERGY: 4774600 730.5803 2061.2845 1959.9845 109.0193 -205863.3335 17716.1275 0.0000 0.0000 34223.2072 -149063.1302 298.8798 -183286.3374 -148971.3912 299.5676 -3.0210 31.0877 556338.9967 -2.2508 -2.0108 PRESSURE: 4774800 -150.285 -48.0043 66.4085 -48.003 28.0963 -20.3914 66.4089 -20.393 11.8431 GPRESSURE: 4774800 -112.497 -126.396 11.3009 2.02308 48.3957 -31.3139 94.7074 -102.338 55.4832 PRESSAVG: 4774800 -30.7666 43.9756 -35.5419 43.9755 16.0162 -6.54707 -35.5419 -6.54704 1.82491 GPRESSAVG: 4774800 -29.3677 43.2648 -33.1878 43.9538 12.7678 -6.94772 -36.7313 -4.69935 3.24797 TIMING: 4774800 CPU: 13875.4, 0.00288955/step Wall: 13875.4, 0.00288955/step, 0.180757 hours remaining, 208.714844 MB of memory in use. ENERGY: 4774800 742.0945 2072.3050 1961.9673 111.9858 -205908.7723 17469.5416 0.0000 0.0000 34271.1930 -149279.6851 299.2989 -183550.8780 -149183.8760 299.6209 -36.7820 -2.8727 554682.6454 -4.3085 -4.4507 PRESSURE: 4775000 83.8396 174.214 -35.3112 174.215 63.8043 22.7474 -35.3119 22.7466 -186.612 GPRESSURE: 4775000 101.722 231.192 -70.4016 114.634 106.787 -8.9111 -26.0867 47.4464 -136.388 PRESSAVG: 4775000 7.37602 48.5361 54.7008 48.5361 36.6627 -20.0304 54.7009 -20.0305 -0.925219 GPRESSAVG: 4775000 5.87865 48.5085 52.9909 47.1594 39.1525 -20.7065 55.1835 -20.8603 -2.04353 TIMING: 4775000 CPU: 13876, 0.00289344/step Wall: 13876, 0.00289344/step, 0.18084 hours remaining, 208.714844 MB of memory in use. ENERGY: 4775000 736.7479 2054.1662 1954.6925 112.6011 -206213.2583 17860.8440 0.0000 0.0000 34227.5159 -149266.6909 298.9174 -183494.2068 -149170.2407 298.7807 -12.9894 24.0402 556758.9122 14.3712 14.3292 PRESSURE: 4775200 168.97 10.1831 20.3684 10.1832 67.104 41.36 20.368 41.3604 -108.896 GPRESSURE: 4775200 202.423 -31.9848 29.995 -40.5709 32.1391 31.172 48.8447 131.859 -18.0155 PRESSAVG: 4775200 -8.79306 45.159 35.9009 45.159 25.4068 34.759 35.9008 34.7591 -18.2235 GPRESSAVG: 4775200 -8.74309 44.9915 34.8227 45.9732 25.6915 37.098 34.1453 34.9674 -18.3586 TIMING: 4775200 CPU: 13876.6, 0.00290936/step Wall: 13876.6, 0.00290936/step, 0.181673 hours remaining, 208.714844 MB of memory in use. ENERGY: 4775200 724.5696 2021.9802 1962.9367 113.9322 -206214.6518 17911.3731 0.0000 0.0000 34190.2053 -149289.6547 298.5916 -183479.8600 -149200.4730 299.3705 42.3926 72.1821 558441.5735 -0.5366 -0.4700 PRESSURE: 4775400 142.149 57.4032 61.4521 57.4029 205.436 138.861 61.4529 138.86 311.92 GPRESSURE: 4775400 158.485 26.4867 48.4879 103.125 251.164 62.275 107.16 136.006 338.978 PRESSAVG: 4775400 40.6217 1.52621 14.1431 1.5263 -58.6492 35.1402 14.1432 35.1402 27.0234 GPRESSAVG: 4775400 40.7285 -1.06392 14.8605 4.22892 -59.2893 34.1292 15.3729 35.3673 27.421 TIMING: 4775400 CPU: 13877.2, 0.00290886/step Wall: 13877.2, 0.00290886/step, 0.181481 hours remaining, 208.714844 MB of memory in use. ENERGY: 4775400 734.3826 2113.1906 1925.4880 101.6982 -206772.9624 18314.1322 0.0000 0.0000 34275.4322 -149308.6386 299.3359 -183584.0708 -149210.4932 299.5057 219.8352 249.5421 556248.0594 2.9986 2.9534 PRESSURE: 4775600 -471.302 -28.7237 7.79431 -28.7255 59.4923 -109.046 7.79584 -109.048 81.5209 GPRESSURE: 4775600 -428.773 -63.9185 23.152 58.0952 96.3916 -90.0199 50.8971 -121.65 106.982 PRESSAVG: 4775600 -26.2722 -39.66 27.5818 -39.66 26.4914 -23.5717 27.5818 -23.5717 -26.4198 GPRESSAVG: 4775600 -24.9823 -34.9329 28.0936 -42.38 26.429 -25.2752 25.676 -23.8355 -27.2808 TIMING: 4775600 CPU: 13877.8, 0.00289977/step Wall: 13877.8, 0.00289977/step, 0.180752 hours remaining, 208.714844 MB of memory in use. ENERGY: 4775600 760.8900 2078.3053 1960.9767 108.4208 -206249.6039 17702.0953 0.0000 0.0000 34253.7897 -149385.1261 299.1469 -183638.9157 -149290.9231 299.2135 -110.0964 -75.1333 558112.5855 -8.7335 -8.6114 PRESSURE: 4775800 -109.94 -31.4274 -89.6471 -31.4266 93.258 15.4165 -89.6479 15.4174 166.698 GPRESSURE: 4775800 -65.6329 -70.2955 -149.288 -78.0073 88.2049 4.92371 -56.2889 58.7227 235.076 PRESSAVG: 4775800 -57.8502 -25.9117 36.4225 -25.9117 -6.38269 6.59198 36.4226 6.59196 30.3998 GPRESSAVG: 4775800 -58.6428 -30.0888 35.6544 -23.9216 -5.92874 7.19636 37.1591 7.10253 30.3793 TIMING: 4775800 CPU: 13878.3, 0.00289844/step Wall: 13878.3, 0.00289844/step, 0.180508 hours remaining, 208.714844 MB of memory in use. ENERGY: 4775800 755.7762 2072.4863 1964.4444 112.2063 -206277.8537 17895.4932 0.0000 0.0000 34204.7031 -149272.7442 298.7182 -183477.4473 -149176.1830 298.8854 50.0053 85.8828 556203.9832 -11.2777 -11.3974 PRESSURE: 4776000 -150.575 -16.3093 -220.36 -16.3105 -52.3938 84.7644 -220.361 84.7658 -334.564 GPRESSURE: 4776000 -91.9674 -33.9006 -198.185 -40.1662 -59.7119 73.3686 -167.048 125.419 -292.553 PRESSAVG: 4776000 -0.437104 -16.3393 -3.09825 -16.3394 -13.7453 15.0809 -3.09824 15.0809 -2.5982 GPRESSAVG: 4776000 -1.40734 -15.7242 -1.88728 -15.5922 -13.6968 16.6764 -3.73697 14.98 -1.46893 TIMING: 4776000 CPU: 13878.9, 0.00292146/step Wall: 13878.9, 0.00292146/step, 0.18178 hours remaining, 208.714844 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: 4776000 781.7289 2062.2303 1927.9895 96.5703 -205901.9592 17615.2527 0.0000 0.0000 34354.1662 -149064.0213 300.0235 -183418.1875 -148970.8548 299.4538 -179.1776 -148.0775 557774.7761 -5.5935 -5.5244 PRESSURE: 4776200 40.55 156.554 91.3176 156.554 28.4648 64.341 91.3179 64.3397 -30.1961 GPRESSURE: 4776200 100.594 169.996 69.3978 103.009 58.3255 10.609 142.729 94.4216 -13.6783 PRESSAVG: 4776200 7.97851 31.1866 17.7478 31.1866 -43.5022 25.5786 17.7478 25.5785 30.0061 GPRESSAVG: 4776200 8.00409 32 17.5436 28.0874 -43.1152 25.424 18.1243 23.4831 29.0831 TIMING: 4776200 CPU: 13879.5, 0.00288769/step Wall: 13879.5, 0.00288769/step, 0.179518 hours remaining, 208.714844 MB of memory in use. ENERGY: 4776200 761.1928 2092.7482 1952.0313 115.5161 -206054.8653 17844.4301 0.0000 0.0000 34555.1532 -148733.7935 301.7787 -183288.9468 -148645.4039 300.3704 12.9395 48.4138 557966.5822 -1.8392 -2.0093 LDB: ============= START OF LOAD BALANCING ============== 13883 LDB: ============== END OF LOAD BALANCING =============== 13883 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13883 LDB: ============= START OF LOAD BALANCING ============== 13883.3 LDB: Largest compute 4848 load 0.031814 is 27.0% of average load 0.117815 LDB: Average compute 0.001742 is 1.5% of average load 0.117815 LDB: TIME 13883.3 LOAD: AVG 0.117815 MAX 0.186491 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 13883.3 LOAD: AVG 0.117815 MAX 0.186491 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: TIME 13883.3 LOAD: AVG 0.117815 MAX 0.186491 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13883.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13883.3 PRESSURE: 4776400 -116.973 193.176 -116.653 193.176 -250.369 62.3008 -116.653 62.3004 -69.8687 GPRESSURE: 4776400 -57.0188 148.139 -91.2995 220.842 -275.765 29.6602 -157.34 68.7229 -7.55064 PRESSAVG: 4776400 51.0896 -19.7628 14.5882 -19.7629 10.9587 -13.0643 14.5882 -13.0644 -21.1051 GPRESSAVG: 4776400 51.3751 -19.3149 13.3189 -19.3883 10.4297 -16.014 14.4514 -12.3824 -21.0846 TIMING: 4776400 CPU: 13880.1, 0.00296144/step Wall: 13880.1, 0.00296144/step, 0.183938 hours remaining, 210.960938 MB of memory in use. ENERGY: 4776400 752.8485 2113.0816 1930.2989 114.1699 -205835.2024 17714.4119 0.0000 0.0000 34475.7905 -148734.6010 301.0857 -183210.3916 -148631.3510 301.0940 -145.7370 -113.4448 557366.2508 13.6477 13.5734 PRESSURE: 4776600 456.146 75.6593 -233.909 75.6583 -9.20694 -158.34 -233.907 -158.339 95.7752 GPRESSURE: 4776600 463.275 57.2042 -263.91 67.1049 54.9081 -189.977 -200.083 -82.5163 126.198 PRESSAVG: 4776600 53.731 52.7801 -48.5642 52.78 1.73593 -10.8253 -48.5643 -10.8255 -7.21074 GPRESSAVG: 4776600 54.2231 50.6543 -47.1623 55.0421 1.22567 -10.3924 -47.4099 -9.91316 -7.73832 TIMING: 4776600 CPU: 13880.7, 0.00290021/step Wall: 13880.7, 0.00290021/step, 0.179974 hours remaining, 211.031250 MB of memory in use. ENERGY: 4776600 718.5569 2153.0149 1947.9552 111.4693 -206358.7558 18071.1260 0.0000 0.0000 34470.8649 -148885.7687 301.0426 -183356.6336 -148790.5439 301.0055 180.9046 214.7939 557414.6900 16.0854 15.9035 PRESSURE: 4776800 -285.328 6.81505 -3.35167 6.81605 -116.485 -84.4474 -3.35189 -84.4463 -55.1515 GPRESSURE: 4776800 -247.36 20.7495 36.9114 -0.0670152 -83.4492 -114.938 45.3669 -56.8432 -48.2882 PRESSAVG: 4776800 36.1419 1.57666 5.07233 1.57661 -64.9472 -32.1951 5.07232 -32.195 -19.9172 GPRESSAVG: 4776800 34.7051 3.75293 3.9023 -0.138665 -64.4084 -30.2318 3.91806 -35.4856 -19.1904 TIMING: 4776800 CPU: 13881.3, 0.00291191/step Wall: 13881.3, 0.00291191/step, 0.180539 hours remaining, 211.031250 MB of memory in use. ENERGY: 4776800 730.4258 2102.3854 1963.6340 120.5088 -205859.8247 17523.0692 0.0000 0.0000 34488.0120 -148931.7895 301.1924 -183419.8015 -148834.8759 300.5652 -152.3215 -126.3657 558724.3452 -16.2408 -16.2979 PRESSURE: 4777000 357.504 5.10325 -50.634 5.10337 -38.1578 26.7653 -50.6339 26.765 296.153 GPRESSURE: 4777000 362.406 78.7284 -34.1046 -60.3028 -18.4965 3.48847 -19.0481 30.1799 374.477 PRESSAVG: 4777000 5.71304 -47.6607 5.17936 -47.6606 -42.6052 27.5974 5.17932 27.5973 40.6018 GPRESSAVG: 4777000 6.31218 -47.8961 6.50068 -46.1062 -42.5605 28.1957 2.41264 30.8082 39.7778 TIMING: 4777000 CPU: 13881.8, 0.00290483/step Wall: 13881.8, 0.00290483/step, 0.179938 hours remaining, 211.031250 MB of memory in use. ENERGY: 4777000 732.1272 2116.5919 1988.4715 107.5207 -206200.7268 18056.8843 0.0000 0.0000 34327.2419 -148871.8892 299.7883 -183199.1311 -148775.5490 300.0791 205.1665 239.4622 556939.4171 1.2365 1.1765 PRESSURE: 4777200 12.0141 75.4708 -9.08615 75.4708 -115.959 23.5535 -9.08688 23.5505 70.9422 GPRESSURE: 4777200 -12.9234 86.4783 18.0493 69.9437 -41.8965 3.98742 -135.257 -33.1342 105.939 PRESSAVG: 4777200 93.0298 -29.8539 -25.7697 -29.8539 -84.5369 21.0125 -25.7697 21.0125 37.6038 GPRESSAVG: 4777200 91.771 -29.6396 -27.8242 -30.8932 -84.7419 20.1969 -24.1306 20.2103 38.7623 TIMING: 4777200 CPU: 13882.4, 0.0029054/step Wall: 13882.4, 0.0029054/step, 0.179812 hours remaining, 211.031250 MB of memory in use. ENERGY: 4777200 772.2156 2126.0110 1968.2736 109.6767 -205874.7646 17803.4379 0.0000 0.0000 34257.7900 -148837.3597 299.1818 -183095.1497 -148737.6516 299.9667 -11.0008 17.0395 556890.3842 15.3656 15.2638 PRESSURE: 4777400 -393.051 -33.5643 120.469 -33.5635 -34.9418 64.5373 120.468 64.5354 -123.618 GPRESSURE: 4777400 -329.867 -27.9365 85.0654 -32.718 -18.3497 29.2795 107.631 42.4981 -104.723 PRESSAVG: 4777400 -17.7786 -27.3965 28.0518 -27.3965 -52.6275 -44.7027 28.0518 -44.7027 35.1447 GPRESSAVG: 4777400 -16.9988 -29.0329 29.1283 -26.4546 -54.0227 -44.722 29.0684 -45.1188 35.3291 TIMING: 4777400 CPU: 13883, 0.00290202/step Wall: 13883, 0.00290202/step, 0.179441 hours remaining, 211.031250 MB of memory in use. ENERGY: 4777400 779.7672 2094.5273 1952.5184 107.8269 -205646.2017 17514.7142 0.0000 0.0000 34576.6905 -148620.1571 301.9668 -183196.8476 -148522.2348 300.1997 -183.8702 -150.9798 558284.5439 -11.7538 -11.8975 PRESSURE: 4777600 117.289 1.32369 123.516 1.32308 -20.0426 30.4628 123.516 30.4635 -76.5956 GPRESSURE: 4777600 137.503 -41.8989 158.255 17.6788 18.4144 -73.062 158.954 65.9821 -43.9642 PRESSAVG: 4777600 -58.0227 -3.46045 36.2334 -3.46048 -9.64845 -53.7549 36.2335 -53.7548 83.3702 GPRESSAVG: 4777600 -59.0542 -2.98648 33.6266 -4.71495 -7.96938 -50.0363 36.3687 -54.2945 82.8347 TIMING: 4777600 CPU: 13883.6, 0.00291612/step Wall: 13883.6, 0.00291612/step, 0.180151 hours remaining, 211.031250 MB of memory in use. ENERGY: 4777600 758.6198 2127.4712 1977.2607 114.6275 -205698.0724 17690.2612 0.0000 0.0000 34463.0778 -148566.7542 300.9746 -183029.8320 -148459.9649 301.1017 6.8837 37.3177 558964.4647 5.2330 5.2704 PRESSURE: 4777800 194.015 -33.5828 -82.0416 -33.5831 88.4531 4.76479 -82.0427 4.76486 -50.766 GPRESSURE: 4777800 170.059 -98.3378 -133.937 31.9626 206.578 95.2216 -20.3086 -70.2992 -54.8827 PRESSAVG: 4777800 21.9576 -4.29087 -45.8385 -4.29086 -21.5564 -22.0893 -45.8385 -22.0892 31.1302 GPRESSAVG: 4777800 22.6811 -5.05346 -45.0755 -4.17278 -23.1812 -24.7225 -45.9768 -22.8497 31.717 TIMING: 4777800 CPU: 13884.2, 0.00290222/step Wall: 13884.2, 0.00290222/step, 0.179132 hours remaining, 211.031250 MB of memory in use. ENERGY: 4777800 710.3685 2084.4913 1949.1552 101.3361 -205877.8113 17969.2767 0.0000 0.0000 34490.9455 -148572.2380 301.2180 -183063.1836 -148476.0139 300.6750 77.2339 107.2514 561095.6934 10.5105 10.4056 PRESSURE: 4778000 -174.649 25.5825 19.0793 25.5823 24.7711 -71.4447 19.0799 -71.4425 78.032 GPRESSURE: 4778000 -187.287 8.16996 -22.9544 -23.2002 66.6906 -1.96224 77.5162 -140.913 132.125 PRESSAVG: 4778000 -0.792355 -29.4784 0.9938 -29.4785 -8.77539 4.96747 0.993788 4.96734 29.3169 GPRESSAVG: 4778000 -0.206184 -26.4761 -0.286496 -30.4942 -8.24511 4.11555 0.957349 5.72924 28.3086 TIMING: 4778000 CPU: 13884.7, 0.00289807/step Wall: 13884.7, 0.00289807/step, 0.178714 hours remaining, 211.031250 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: 4778000 689.2129 2070.4051 1942.0954 112.0230 -205865.8066 17873.3381 0.0000 0.0000 34375.9581 -148802.7740 300.2138 -183178.7321 -148707.4738 300.5166 -23.9487 3.8428 561847.1057 6.5830 6.6191 PRESSURE: 4778200 197.611 -144.3 57.861 -144.299 -102.279 -42.2918 57.8608 -42.2914 210.436 GPRESSURE: 4778200 190.782 -98.5041 57.0034 -199.358 -28.5031 -12.6865 101.259 -57.343 235.457 PRESSAVG: 4778200 43.3098 42.565 70.2135 42.565 -25.0965 11.1079 70.2135 11.108 20.9043 GPRESSAVG: 4778200 43.2937 41.3108 72.1346 44.2137 -24.8604 11.3904 70.9808 12.5368 20.4299 TIMING: 4778200 CPU: 13885.3, 0.00290827/step Wall: 13885.3, 0.00290827/step, 0.179182 hours remaining, 211.031250 MB of memory in use. ENERGY: 4778200 704.9880 2101.2558 1945.8996 104.3833 -206197.3665 18026.6895 0.0000 0.0000 34533.1175 -148781.0328 301.5863 -183314.1502 -148683.4383 300.5690 101.9229 132.5789 559077.2385 13.0392 12.9544 PRESSURE: 4778400 254.374 39.4529 -11.6515 39.452 -196.179 264.642 -11.6521 264.641 -119.276 GPRESSURE: 4778400 261.998 81.9406 -36.0498 -49.5966 -185.176 172.195 -26.8391 314.062 -42.2904 PRESSAVG: 4778400 20.7093 -12.0079 -4.34011 -12.0079 -15.0067 -21.7544 -4.34008 -21.7544 -44.6727 GPRESSAVG: 4778400 20.4258 -11.5418 -4.67109 -12.932 -16.0033 -21.9546 -6.54223 -20.9523 -43.198 TIMING: 4778400 CPU: 13885.9, 0.00291795/step Wall: 13885.9, 0.00291795/step, 0.179616 hours remaining, 211.031250 MB of memory in use. ENERGY: 4778400 730.8318 2053.9265 1982.0011 106.1759 -206177.5168 17821.7736 0.0000 0.0000 34541.1131 -148941.6948 301.6561 -183482.8080 -148838.9856 300.1642 -20.3602 11.5108 557859.5342 -12.9901 -12.9252 PRESSURE: 4778600 202.793 -21.4184 -77.0577 -21.4179 -89.9691 26.0363 -77.0585 26.036 20.7591 GPRESSURE: 4778600 167.075 -5.89341 -74.9659 27.3375 -5.08567 100.909 -131.627 51.93 54.2032 PRESSAVG: 4778600 -14.6188 -13.7135 -38.5204 -13.7136 13.5364 24.7688 -38.5204 24.7688 -39.8795 GPRESSAVG: 4778600 -16.1094 -13.4931 -37.9156 -12.7975 14.7021 25.5339 -39.1651 22.8888 -39.9995 TIMING: 4778600 CPU: 13886.5, 0.00291927/step Wall: 13886.5, 0.00291927/step, 0.179535 hours remaining, 211.121094 MB of memory in use. ENERGY: 4778600 731.2496 2080.1983 1955.1756 108.2831 -205916.8923 17836.6565 0.0000 0.0000 34296.8221 -148908.5070 299.5227 -183205.3291 -148811.8327 300.1807 44.5277 72.0642 559201.4696 -13.6540 -13.8023 PRESSURE: 4778800 40.5407 56.4008 87.5601 56.4004 171.764 -182.79 87.5615 -182.79 21.9244 GPRESSURE: 4778800 90.3118 57.7369 131.622 130.694 186.456 -170.25 21.9625 -72.9364 55.9 PRESSAVG: 4778800 16.6819 -6.42412 29.6101 -6.4241 22.5461 29.8497 29.6101 29.8496 -25.8387 GPRESSAVG: 4778800 16.2482 -6.10631 29.1286 -4.98441 23.1582 29.374 29.4851 31.2648 -26.6636 TIMING: 4778800 CPU: 13887.1, 0.00289273/step Wall: 13887.1, 0.00289273/step, 0.177742 hours remaining, 211.121094 MB of memory in use. ENERGY: 4778800 725.6212 2119.3742 1957.5070 120.6118 -205949.4506 17857.1689 0.0000 0.0000 34162.6665 -149006.5010 298.3511 -183169.1675 -148916.0764 300.1100 78.0763 110.8893 558935.5721 4.4631 4.2476 PRESSURE: 4779000 -96.3278 35.8764 69.0095 35.8768 179.296 68.8914 69.0114 68.8905 -171.003 GPRESSURE: 4779000 -117.431 -55.0316 108.018 88.6597 221.18 71.6426 99.1235 76.6084 -97.6157 PRESSAVG: 4779000 0.451816 -6.10575 23.349 -6.10571 60.3266 58.2183 23.349 58.2184 -73.3998 GPRESSAVG: 4779000 1.40845 -6.3351 23.7288 -8.08071 59.5945 57.7502 25.4406 58.6821 -73.6362 TIMING: 4779000 CPU: 13887.7, 0.00291172/step Wall: 13887.7, 0.00291172/step, 0.178747 hours remaining, 211.121094 MB of memory in use. ENERGY: 4779000 730.6901 2121.4045 1920.3659 110.9474 -206070.0928 17849.8621 0.0000 0.0000 34271.9773 -149064.8455 299.3057 -183336.8229 -148964.7719 299.4802 -29.3448 2.0445 559076.0118 -4.2071 -4.2111 PRESSURE: 4779200 -287.375 17.8531 4.67672 17.8532 -141.536 187.663 4.67676 187.663 -105.137 GPRESSURE: 4779200 -255.589 75.8338 -79.2332 -32.0975 -97.6953 112.7 71.8851 146.357 -77.505 PRESSAVG: 4779200 25.391 -15.5056 26.655 -15.5056 -3.43928 22.961 26.655 22.961 -9.67298 GPRESSAVG: 4779200 25.999 -17.9352 25.195 -14.8466 -3.95658 22.7857 25.9199 21.5685 -10.1152 TIMING: 4779200 CPU: 13888.2, 0.00290505/step Wall: 13888.2, 0.00290505/step, 0.178176 hours remaining, 211.121094 MB of memory in use. ENERGY: 4779200 751.5641 2126.6943 1940.9276 114.8968 -205999.3798 17713.7164 0.0000 0.0000 34335.7714 -149015.8091 299.8628 -183351.5805 -148909.7816 299.8664 -178.0160 -143.5964 557529.1544 4.0929 3.9757 PRESSURE: 4779400 149.063 183.922 62.298 183.921 18.9581 -69.5243 62.2983 -69.524 17.5276 GPRESSURE: 4779400 168.374 190.878 112.316 163.74 11.3499 18.0799 56.5186 -127.141 104.678 PRESSAVG: 4779400 13.405 -12.1924 -31.3943 -12.1924 -16.412 12.967 -31.3943 12.9669 -3.95047 GPRESSAVG: 4779400 13.2812 -11.4902 -29.4015 -11.6619 -16.0684 12.954 -30.7019 13.8486 -4.38373 TIMING: 4779400 CPU: 13888.8, 0.00289681/step Wall: 13888.8, 0.00289681/step, 0.17751 hours remaining, 211.121094 MB of memory in use. ENERGY: 4779400 749.4294 2083.4999 1965.6539 115.9149 -206142.7213 17857.4054 0.0000 0.0000 34370.2669 -149000.5509 300.1641 -183370.8178 -148900.3831 300.0864 61.8495 94.8005 556385.3468 -2.3191 -2.3903 PRESSURE: 4779600 -253.055 64.1982 18.5335 64.1972 -90.7102 33.0288 18.5333 33.0271 -37.3609 GPRESSURE: 4779600 -273.348 75.8291 27.7104 43.3256 -64.5243 18.0541 48.1297 23.6183 46.78 PRESSAVG: 4779600 -12.3546 5.33569 21.9241 5.3357 15.0575 33.8317 21.9241 33.8317 2.22138 GPRESSAVG: 4779600 -12.2437 5.94529 21.0735 4.7193 15.0566 33.7583 20.9285 33.5299 2.31267 TIMING: 4779600 CPU: 13889.4, 0.00288739/step Wall: 13889.4, 0.00288739/step, 0.176773 hours remaining, 211.121094 MB of memory in use. ENERGY: 4779600 765.9053 2048.5996 1934.0139 108.1585 -206017.9797 17621.9620 0.0000 0.0000 34560.1866 -148979.1538 301.8227 -183539.3404 -148877.5360 300.4296 -127.0420 -97.0307 557670.2774 1.6414 1.7086 PRESSURE: 4779800 54.321 165.492 -34.0547 165.492 -23.4628 -143.581 -34.054 -143.582 87.3937 GPRESSURE: 4779800 82.7807 150.386 -48.0437 125.168 -1.25593 -131.66 -12.4287 -154.728 131.218 PRESSAVG: 4779800 -50.5296 -6.78278 -1.73002 -6.78267 63.7251 41.5675 -1.72982 41.5674 -16.539 GPRESSAVG: 4779800 -50.0769 -5.64381 -5.27672 -6.65467 62.3625 41.3744 1.44093 42.5087 -15.506 TIMING: 4779800 CPU: 13890, 0.00289838/step Wall: 13890, 0.00289838/step, 0.177284 hours remaining, 211.121094 MB of memory in use. ENERGY: 4779800 755.1419 2035.0173 1962.3921 118.5607 -206062.7340 17797.8664 0.0000 0.0000 34298.4163 -149095.3394 299.5366 -183393.7557 -148999.2246 299.7741 39.4173 70.9144 557251.4336 -1.1145 -1.0735 PRESSURE: 4780000 -82.5265 -0.795539 -110.541 -0.79317 -90.1888 133.608 -110.541 133.605 -175.962 GPRESSURE: 4780000 -53.8805 51.2681 -76.6757 -15.447 -65.8344 83.4667 -111.623 149.352 -141.956 PRESSAVG: 4780000 -24.252 -10.5268 13.5795 -10.5269 16.4714 -5.08148 13.5794 -5.08168 11.3117 GPRESSAVG: 4780000 -23.4312 -12.1889 17.4051 -8.14333 17.2588 -3.45344 11.5392 -6.75876 10.0814 TIMING: 4780000 CPU: 13890.6, 0.0029069/step Wall: 13890.6, 0.0029069/step, 0.177644 hours remaining, 211.121094 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: 4780000 733.0126 2051.1320 1949.8284 109.8023 -205755.9003 17640.1521 0.0000 0.0000 34239.6755 -149032.2975 299.0236 -183271.9730 -148930.3279 299.6712 -116.2258 -87.2237 558051.4872 1.1770 1.3030 PRESSURE: 4780200 -196.033 -159.009 124.576 -159.01 5.47088 -37.6489 124.576 -37.6479 108.195 GPRESSURE: 4780200 -169.953 -202.313 71.233 -194.034 38.1655 41.0844 123.898 -39.6686 141.875 PRESSAVG: 4780200 -32.1248 36.7034 29.2022 36.7034 56.4201 -1.57276 29.202 -1.57274 -8.68625 GPRESSAVG: 4780200 -32.336 37.5056 26.6683 34.1943 55.6262 -0.795943 29.7793 -2.21538 -7.55352 TIMING: 4780200 CPU: 13891.1, 0.00291228/step Wall: 13891.1, 0.00291228/step, 0.177811 hours remaining, 211.121094 MB of memory in use. ENERGY: 4780200 768.1816 2092.1371 1944.9691 111.7830 -205853.2124 17873.7913 0.0000 0.0000 34024.9198 -149037.4305 297.1481 -183062.3503 -148943.8255 299.0460 -27.4555 3.3625 557277.5716 5.2030 5.2456 LDB: ============= START OF LOAD BALANCING ============== 13894.6 LDB: ============== END OF LOAD BALANCING =============== 13894.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13894.6 LDB: ============= START OF LOAD BALANCING ============== 13894.9 LDB: Largest compute 4848 load 0.030667 is 26.0% of average load 0.117841 LDB: Average compute 0.001735 is 1.5% of average load 0.117841 LDB: TIME 13894.9 LOAD: AVG 0.117841 MAX 0.182601 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.633 MB LDB: TIME 13894.9 LOAD: AVG 0.117841 MAX 0.182601 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.641 MB LDB: TIME 13894.9 LOAD: AVG 0.117841 MAX 0.182601 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.641 MB LDB: ============== END OF LOAD BALANCING =============== 13894.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13894.9 PRESSURE: 4780400 192.278 -222.633 -97.0639 -222.634 -63.7807 53.0598 -97.0641 53.0596 -38.2454 GPRESSURE: 4780400 228.412 -123.3 -35.7119 -251.271 -66.0281 53.1082 -141.418 11.3507 23.7954 PRESSAVG: 4780400 -50.3819 -48.7664 35.2963 -48.7665 17.4089 13.7817 35.2963 13.7816 54.2736 GPRESSAVG: 4780400 -50.3809 -48.8704 37.7744 -47.4473 18.1946 11.7293 33.8603 14.7131 53.4007 TIMING: 4780400 CPU: 13891.7, 0.00295174/step Wall: 13891.7, 0.00295174/step, 0.180056 hours remaining, 208.105469 MB of memory in use. ENERGY: 4780400 777.0495 2102.7629 1955.0380 114.2757 -206636.8338 18118.0684 0.0000 0.0000 34508.9318 -149060.7075 301.3751 -183569.6393 -148965.5716 299.2805 30.0840 62.0598 556452.2135 7.1002 7.0715 PRESSURE: 4780600 -32.4298 6.18421 -2.08157 6.18565 -243.095 95.0153 -2.08055 95.0168 106.661 GPRESSURE: 4780600 -36.6865 92.6821 1.4647 -9.14475 -161.392 93.7189 85.4028 10.0089 126.643 PRESSAVG: 4780600 33.3849 -11.9005 -16.1905 -11.9005 -38.4813 60.6566 -16.1904 60.6565 35.6909 GPRESSAVG: 4780600 33.2246 -12.0268 -16.2081 -12.5478 -37.8739 59.5312 -16.4464 61.3313 35.0821 TIMING: 4780600 CPU: 13892.3, 0.00291313/step Wall: 13892.3, 0.00291313/step, 0.177539 hours remaining, 208.566406 MB of memory in use. ENERGY: 4780600 755.0535 2133.9931 1942.1512 120.5084 -206232.8244 17716.2226 0.0000 0.0000 34422.5182 -149142.3772 300.6204 -183564.8954 -149042.9449 299.3713 -56.2879 -23.8118 556537.7122 10.1982 10.1442 PRESSURE: 4780800 23.1098 -81.1774 -182.458 -81.1769 -127.029 138.819 -182.458 138.819 -192.316 GPRESSURE: 4780800 45.1318 -139.282 -150.917 49.4459 -99.0725 89.0414 -85.3352 194.647 -144.026 PRESSAVG: 4780800 17.566 -14.6142 -66.0926 -14.6141 -27.0561 26.1511 -66.0926 26.1511 -5.81237 GPRESSAVG: 4780800 17.0188 -14.1566 -67.6108 -14.2573 -26.3379 28.4339 -64.3966 25.5247 -5.97578 TIMING: 4780800 CPU: 13892.9, 0.00291058/step Wall: 13892.9, 0.00291058/step, 0.177222 hours remaining, 208.636719 MB of memory in use. ENERGY: 4780800 748.1911 2107.5133 1960.9596 106.8099 -205738.8669 17507.3391 0.0000 0.0000 34167.3634 -149140.6905 298.3921 -183308.0539 -149044.3295 299.0557 -98.7451 -65.9890 557753.6411 -5.1008 -5.0983 PRESSURE: 4781000 -106.121 -153.435 50.1489 -153.434 -190.714 212.576 50.1491 212.577 -32.3415 GPRESSURE: 4781000 -130.58 -20.9769 107.664 -172.3 -117.784 156.245 32.6473 152.764 7.22951 PRESSAVG: 4781000 -28.1516 23.2084 8.66875 23.2085 25.8872 10.0291 8.66886 10.0291 -50.7756 GPRESSAVG: 4781000 -27.8135 23.6868 8.55341 23.5101 24.5044 10.388 9.67432 10.1716 -49.7938 TIMING: 4781000 CPU: 13893.5, 0.00290186/step Wall: 13893.5, 0.00290186/step, 0.17653 hours remaining, 208.636719 MB of memory in use. ENERGY: 4781000 767.4145 2060.9682 1992.1654 129.7064 -206077.9381 17684.1774 0.0000 0.0000 34255.7057 -149187.8005 299.1636 -183443.5062 -149087.0740 299.2230 -109.7255 -80.3779 557508.4260 -17.6800 -17.7010 PRESSURE: 4781200 403.814 -34.8994 -79.7528 -34.9013 101.693 -177.544 -79.7528 -177.544 125.919 GPRESSURE: 4781200 426.127 37.7825 -9.69631 -31.9657 85.9216 -188.496 -88.609 -92.3469 226.677 PRESSAVG: 4781200 -1.37342 35.3444 -33.1448 35.3444 49.773 -10.9142 -33.1448 -10.9142 -46.187 GPRESSAVG: 4781200 -1.06366 33.8957 -33.0207 34.6138 50.5602 -11.3914 -34.5081 -9.6317 -47.2548 TIMING: 4781200 CPU: 13894.1, 0.00290036/step Wall: 13894.1, 0.00290036/step, 0.176277 hours remaining, 208.648438 MB of memory in use. ENERGY: 4781200 738.6502 2068.2957 1952.5571 121.1053 -206512.2940 18100.0983 0.0000 0.0000 34198.6625 -149332.9248 298.6654 -183531.5873 -149240.1511 299.1655 210.4753 246.2418 556337.4059 0.7375 0.7473 PRESSURE: 4781400 328.96 125.432 -185.667 125.43 415.149 -147.118 -185.665 -147.118 4.46243 GPRESSURE: 4781400 336.342 122.377 -278.523 152.276 418.513 -115.882 -208.316 -71.985 82.8316 PRESSAVG: 4781400 -24.3702 34.2045 12.1521 34.2045 74.863 80.4251 12.1522 80.4251 -99.3958 GPRESSAVG: 4781400 -24.1709 36.151 13.8714 36.2369 74.1805 80.5414 13.0819 79.7135 -99.2712 TIMING: 4781400 CPU: 13894.6, 0.00291071/step Wall: 13894.6, 0.00291071/step, 0.176745 hours remaining, 208.648438 MB of memory in use. ENERGY: 4781400 752.9259 2097.7788 1962.0378 121.2292 -206768.6848 18360.5162 0.0000 0.0000 34208.9926 -149265.2042 298.7556 -183474.1969 -149163.9485 298.6207 249.5238 279.2291 557619.9511 -16.3010 -16.4205 PRESSURE: 4781600 48.3593 29.9391 70.081 29.9401 -218.845 49.7732 70.0821 49.7725 -107.359 GPRESSURE: 4781600 114.03 19.1075 30.1626 -66.9554 -168.473 120.633 88.2209 68.2372 -129.076 PRESSAVG: 4781600 62.1945 8.21429 -13.2869 8.21429 31.4778 11.0095 -13.2869 11.0093 -72.7512 GPRESSAVG: 4781600 61.9792 8.08025 -14.2168 6.70441 31.9072 10.6435 -14.5344 11.6414 -72.5514 TIMING: 4781600 CPU: 13895.2, 0.00289748/step Wall: 13895.2, 0.00289748/step, 0.17578 hours remaining, 208.648438 MB of memory in use. ENERGY: 4781600 740.0300 2069.2515 1959.8522 109.7953 -206098.4351 17797.6294 0.0000 0.0000 34226.0888 -149195.7879 298.9049 -183421.8767 -149095.5560 299.2633 -92.6148 -61.1728 557698.8018 6.9737 7.1117 PRESSURE: 4781800 40.0333 95.3686 -92.9016 95.3689 187.646 -51.4847 -92.9039 -51.4834 103.279 GPRESSURE: 4781800 88.9294 65.9307 -86.0786 85.1945 199.983 -46.2631 -85.3433 -53.023 150.93 PRESSAVG: 4781800 46.8146 65.003 -25.957 65.003 -46.7423 33.9307 -25.957 33.9308 -1.10936 GPRESSAVG: 4781800 47.8361 65.6812 -26.0353 65.2286 -47.3772 32.9985 -26.2041 32.7511 -1.6968 TIMING: 4781800 CPU: 13895.8, 0.00289651/step Wall: 13895.8, 0.00289651/step, 0.175561 hours remaining, 208.648438 MB of memory in use. ENERGY: 4781800 759.3585 2027.3335 1959.1327 117.2146 -206317.7612 17943.3885 0.0000 0.0000 34297.5521 -149213.7814 299.5291 -183511.3335 -149121.0801 299.3862 110.3194 146.6140 556682.2962 -0.3457 -0.4126 PRESSURE: 4782000 -240.249 69.3607 53.1137 69.3627 -148.529 -32.8857 53.1145 -32.8851 -102.944 GPRESSURE: 4782000 -189.86 24.2799 39.8822 -24.6749 -84.7968 95.9508 25.7858 28.4246 -119.623 PRESSAVG: 4782000 -37.7784 22.8006 40.9691 22.8007 30.3723 17.0696 40.9691 17.0697 27.151 GPRESSAVG: 4782000 -38.4887 22.1023 41.4493 22.2314 30.4576 17.0419 40.0887 18.1097 27.35 TIMING: 4782000 CPU: 13896.4, 0.0029173/step Wall: 13896.4, 0.0029173/step, 0.176659 hours remaining, 208.648438 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: 4782000 737.3361 2044.4452 1970.8613 113.3609 -205968.3607 17746.6308 0.0000 0.0000 34283.7881 -149071.9384 299.4088 -183355.7265 -148965.7976 299.6599 -163.9074 -131.4266 559844.9488 6.5816 6.4396 PRESSURE: 4782200 -205.322 41.175 2.45964 41.1746 -342.611 -98.5583 2.46043 -98.5592 -44.5417 GPRESSURE: 4782200 -162.686 27.7545 25.7915 -39.888 -259.721 -42.805 36.735 -37.8356 -61.3843 PRESSAVG: 4782200 32.9403 10.4586 36.2538 10.4586 -24.7463 3.5522 36.2539 3.55228 -1.70584 GPRESSAVG: 4782200 32.8632 9.87505 36.3295 10.3289 -25.7186 3.3763 36.4497 4.10535 -0.22341 TIMING: 4782200 CPU: 13897, 0.00289652/step Wall: 13897, 0.00289652/step, 0.175239 hours remaining, 208.648438 MB of memory in use. ENERGY: 4782200 754.2052 2026.0231 1944.1955 110.2237 -205635.4237 17688.4666 0.0000 0.0000 34292.9026 -148819.4069 299.4884 -183112.3095 -148728.5386 299.6622 -197.4915 -161.2636 560797.5481 2.1627 2.3071 PRESSURE: 4782400 58.6619 24.1378 -59.47 24.137 228.111 -89.9319 -59.47 -89.9314 -132.65 GPRESSURE: 4782400 69.6429 -11.5622 -27.5125 96.5707 268.94 -87.9016 -27.2034 -134.967 -89.6983 PRESSAVG: 4782400 -33.9241 24.6728 24.208 24.6728 13.2801 -24.3508 24.208 -24.3508 -13.5661 GPRESSAVG: 4782400 -34.9271 27.7962 23.8597 24.9373 14.2351 -24.4299 24.4188 -25.6807 -13.7567 TIMING: 4782400 CPU: 13897.5, 0.00290048/step Wall: 13897.5, 0.00290048/step, 0.175318 hours remaining, 208.648438 MB of memory in use. ENERGY: 4782400 764.9124 2125.7132 1967.2491 105.7736 -206002.4406 17943.5221 0.0000 0.0000 34393.8563 -148701.4138 300.3701 -183095.2702 -148610.9814 300.4674 51.3744 82.9614 560060.0976 -11.4033 -11.4829 PRESSURE: 4782600 -166.082 -85.6876 164.617 -85.6872 -72.6886 67.4911 164.618 67.4919 -414.937 GPRESSURE: 4782600 -142.55 -44.6397 141.246 -80.9633 -56.6057 -7.20577 74.9996 70.7986 -359.254 PRESSAVG: 4782600 23.8092 10.2406 31.5094 10.2405 20.7167 16.0168 31.5094 16.017 -60.8605 GPRESSAVG: 4782600 24.3725 7.44956 31.4026 10.4609 21.3268 16.3529 31.0107 18.5748 -62.0906 TIMING: 4782600 CPU: 13898.1, 0.00291852/step Wall: 13898.1, 0.00291852/step, 0.176246 hours remaining, 208.648438 MB of memory in use. ENERGY: 4782600 744.8148 2151.1250 1955.1758 104.4519 -205569.4875 17487.0233 0.0000 0.0000 34228.3204 -148898.5762 298.9244 -183126.8967 -148802.6017 300.2299 -217.9026 -186.1368 558944.1919 -5.4449 -5.4638 PRESSURE: 4782800 -143.836 -16.3296 -42.8158 -16.3293 278.14 91.239 -42.8166 91.2401 -183.162 GPRESSURE: 4782800 -156.216 -30.1874 49.1019 7.21502 276.824 47.7287 -64.6111 100.912 -83.0706 PRESSAVG: 4782800 -18.9337 18.5691 3.09795 18.5691 31.7112 -42.827 3.09786 -42.827 -2.33507 GPRESSAVG: 4782800 -18.843 18.612 2.15546 17.4648 30.7402 -43.9886 4.9111 -44.2476 -1.33118 TIMING: 4782800 CPU: 13898.7, 0.00290787/step Wall: 13898.7, 0.00290787/step, 0.175441 hours remaining, 208.648438 MB of memory in use. ENERGY: 4782800 768.0259 2091.8741 1961.0911 103.8762 -205945.1263 17764.9847 0.0000 0.0000 34286.0885 -148969.1857 299.4289 -183255.2742 -148878.0440 299.6071 -16.2859 12.5125 557912.7512 3.4808 3.5220 PRESSURE: 4783000 -125.327 20.9733 101.871 20.9725 -214.073 -72.1415 101.87 -72.1439 -191.912 GPRESSURE: 4783000 -113.85 64.1373 60.2453 -114.439 -199.758 -144.789 40.6907 -6.31401 -128.382 PRESSAVG: 4783000 -28.4236 -20.581 -47.1003 -20.5811 46.2307 -25.6739 -47.1002 -25.6739 -25.3633 GPRESSAVG: 4783000 -28.8995 -19.525 -45.417 -20.8131 45.9415 -23.3537 -48.5344 -27.711 -24.801 TIMING: 4783000 CPU: 13899.3, 0.00290254/step Wall: 13899.3, 0.00290254/step, 0.174958 hours remaining, 208.648438 MB of memory in use. ENERGY: 4783000 713.6320 2071.6887 1965.0073 119.1566 -206054.4323 17741.0451 0.0000 0.0000 34323.5618 -149120.3409 299.7562 -183443.9027 -149025.3995 299.6650 -177.1042 -147.3299 560021.9539 -2.5187 -2.5863 PRESSURE: 4783200 261.66 81.9287 18.2423 81.9289 176.977 50.2379 18.2421 50.2383 -209.57 GPRESSURE: 4783200 268.654 47.9864 -45.0394 69.3323 195.478 1.30861 94.3688 85.1736 -140.105 PRESSAVG: 4783200 -34.4264 7.94972 -8.43846 7.94958 20.319 20.9189 -8.43839 20.9191 -8.13851 GPRESSAVG: 4783200 -33.9973 8.0313 -10.3857 6.97606 21.0311 18.9923 -10.6543 21.8266 -8.90399 TIMING: 4783200 CPU: 13899.9, 0.0029177/step Wall: 13899.9, 0.0029177/step, 0.17571 hours remaining, 208.648438 MB of memory in use. ENERGY: 4783200 757.8525 2119.5510 1984.8855 123.6230 -206400.1373 17974.1157 0.0000 0.0000 34534.4770 -148905.6326 301.5982 -183440.1097 -148813.8678 299.4091 76.3557 108.0089 558144.1796 -7.4153 -7.2901 PRESSURE: 4783400 -186.871 36.2521 -38.8724 36.2517 -49.4453 -46.9912 -38.8725 -46.9895 -120.191 GPRESSURE: 4783400 -178.779 68.4981 -92.2295 -13.4245 -20.0024 -26.5509 16.0082 -8.00433 -61.1709 PRESSAVG: 4783400 -36.8263 48.2801 -2.69361 48.2801 34.9368 30.4203 -2.69344 30.4202 19.5321 GPRESSAVG: 4783400 -35.2106 47.1751 -1.72297 49.9908 34.253 32.4014 -0.411298 30.0848 18.4608 TIMING: 4783400 CPU: 13900.4, 0.00289665/step Wall: 13900.4, 0.00289665/step, 0.174282 hours remaining, 208.648438 MB of memory in use. ENERGY: 4783400 751.9604 2114.0893 1955.7093 116.9513 -205742.1811 17594.7879 0.0000 0.0000 34372.7197 -148835.9633 300.1855 -183208.6830 -148742.6099 300.3760 -118.8357 -86.6506 559356.4340 5.8809 5.8344 PRESSURE: 4783600 52.1395 36.925 -107.063 36.925 111.047 82.1327 -107.064 82.1323 4.44484 GPRESSURE: 4783600 62.858 56.6371 -148.55 21.0228 168.693 21.4833 -85.1958 88.9878 41.6895 PRESSAVG: 4783600 20.4434 -17.9196 25.7143 -17.9195 -13.9319 5.09233 25.7144 5.09237 -3.90409 GPRESSAVG: 4783600 18.8124 -17.9768 25.5976 -18.1305 -12.005 2.93375 25.842 5.35008 -3.53778 TIMING: 4783600 CPU: 13901, 0.00289938/step Wall: 13901, 0.00289938/step, 0.174285 hours remaining, 208.648438 MB of memory in use. ENERGY: 4783600 721.6823 2117.4151 1955.3874 101.5109 -205879.2437 17887.1477 0.0000 0.0000 34209.3889 -148886.7113 298.7591 -183096.1003 -148797.5180 299.7776 55.8773 91.0803 559165.0918 0.8691 1.0899 PRESSURE: 4783800 82.5062 32.2813 153.185 32.2812 308.532 157.481 153.185 157.481 -82.602 GPRESSURE: 4783800 113.281 -4.27367 59.7251 45.9022 342.16 55.1095 152.977 148.957 -54.6217 PRESSAVG: 4783800 -70.5824 -13.4782 -8.83922 -13.4783 39.3857 8.23748 -8.83911 8.23738 37.7186 GPRESSAVG: 4783800 -70.1186 -14.3989 -8.47459 -14.5992 38.1146 9.16494 -9.63492 8.14175 38.7997 TIMING: 4783800 CPU: 13901.6, 0.00290816/step Wall: 13901.6, 0.00290816/step, 0.174651 hours remaining, 208.648438 MB of memory in use. ENERGY: 4783800 770.4637 2114.7831 1981.6568 108.4977 -206060.1013 17819.7238 0.0000 0.0000 34242.3197 -149022.6565 299.0467 -183264.9762 -148922.9366 300.2339 102.8121 133.6063 558814.0359 2.1740 2.2652 PRESSURE: 4784000 75.2954 -8.54206 -154.736 -8.54298 308.148 21.3218 -154.735 21.3205 47.3388 GPRESSURE: 4784000 122.577 -43.2362 -160.152 -37.6899 305.777 51.8791 -143.092 -0.0419783 99.1351 PRESSAVG: 4784000 -7.91279 -62.9731 26.9642 -62.9732 16.7967 -52.2969 26.9642 -52.2969 -29.1302 GPRESSAVG: 4784000 -7.49565 -64.0521 28.6713 -60.649 17.0499 -50.7572 26.1736 -52.8363 -29.6509 TIMING: 4784000 CPU: 13902.2, 0.0029127/step Wall: 13902.2, 0.0029127/step, 0.174762 hours remaining, 208.648438 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: 4784000 760.2381 2129.1779 1950.0511 116.5778 -206364.3878 18045.4404 0.0000 0.0000 34302.1492 -149060.7534 299.5692 -183362.9025 -148965.0784 299.7632 143.5940 175.8296 558883.6355 -6.7487 -6.6989 PRESSURE: 4784200 101.867 -39.8639 51.0028 -39.8633 215.943 184.808 51.0037 184.808 -353.615 GPRESSURE: 4784200 74.3136 2.46681 131.282 -99.1716 245.784 160.471 -14.5162 175.998 -252.72 PRESSAVG: 4784200 -9.03388 -83.406 40.4876 -83.406 65.8043 -10.1244 40.4876 -10.1244 -85.183 GPRESSAVG: 4784200 -9.86502 -81.709 38.5143 -83.7415 65.6566 -11.4272 40.1814 -8.00013 -84.1938 TIMING: 4784200 CPU: 13902.8, 0.00292118/step Wall: 13902.8, 0.00292118/step, 0.175108 hours remaining, 208.648438 MB of memory in use. ENERGY: 4784200 779.4135 2044.0797 1954.3449 104.4798 -205795.9274 17705.0594 0.0000 0.0000 34185.7322 -149022.8178 298.5525 -183208.5500 -148924.9751 299.4351 -11.9350 22.4592 558275.6044 -9.4709 -9.4674 LDB: ============= START OF LOAD BALANCING ============== 13906.2 LDB: ============== END OF LOAD BALANCING =============== 13906.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906.2 LDB: ============= START OF LOAD BALANCING ============== 13906.5 LDB: Largest compute 4848 load 0.029869 is 25.3% of average load 0.117927 LDB: Average compute 0.001729 is 1.5% of average load 0.117927 LDB: TIME 13906.5 LOAD: AVG 0.117927 MAX 0.18745 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 13906.5 LOAD: AVG 0.117927 MAX 0.18745 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 13906.5 LOAD: AVG 0.117927 MAX 0.18745 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: ============== END OF LOAD BALANCING =============== 13906.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13906.5 PRESSURE: 4784400 -187.63 15.9208 54.4493 15.9222 -36.4078 -134.236 54.4503 -134.237 -162.664 GPRESSURE: 4784400 -235.532 -7.28176 89.0518 33.716 29.1611 -95.9674 -7.14758 -79.8519 -88.3137 PRESSAVG: 4784400 74.3395 -35.9933 36.4387 -35.9932 4.22756 17.8364 36.4387 17.8364 -69.0575 GPRESSAVG: 4784400 74.3829 -36.173 35.8272 -37.5187 4.25676 17.254 38.8828 17.949 -69.2233 TIMING: 4784400 CPU: 13903.4, 0.00297945/step Wall: 13903.4, 0.00297945/step, 0.178436 hours remaining, 208.382812 MB of memory in use. ENERGY: 4784400 753.4197 2107.8280 1953.5750 116.3612 -206239.0867 17857.0598 0.0000 0.0000 34473.4775 -148977.3655 301.0655 -183450.8430 -148885.6579 299.4538 -128.9007 -98.2282 558870.9827 3.1699 3.1388 PRESSURE: 4784600 -332.454 -35.1773 -7.26013 -35.1767 -227.95 -18.6543 -7.26059 -18.656 -257.202 GPRESSURE: 4784600 -286.911 -114.211 -53.5694 -129.334 -218.441 7.75879 52.9696 -29.5861 -199.51 PRESSAVG: 4784600 -18.4741 27.3126 35.2825 27.3125 24.8393 -16.2292 35.2825 -16.2292 -6.97436 GPRESSAVG: 4784600 -19.4429 27.2704 36.4695 26.5976 24.1267 -15.5482 34.1587 -17.386 -4.6968 TIMING: 4784600 CPU: 13904, 0.0029067/step Wall: 13904, 0.0029067/step, 0.173918 hours remaining, 208.492188 MB of memory in use. ENERGY: 4784600 792.2716 2140.4559 1967.2188 108.9876 -206193.3004 17825.1623 0.0000 0.0000 34227.6701 -149131.5341 298.9188 -183359.2042 -149029.1250 299.2645 -272.5354 -234.9543 558773.6163 -0.2030 -0.0043 PRESSURE: 4784800 -66.0721 85.4535 -88.2498 85.454 -254.737 184.879 -88.2514 184.88 33.2525 GPRESSURE: 4784800 18.2966 53.8746 -88.0766 67.7691 -258.174 206.491 -138.583 100.75 53.7688 PRESSAVG: 4784800 28.1351 27.7125 -16.6907 27.7125 -29.7616 -33.6806 -16.6907 -33.6807 -21.8672 GPRESSAVG: 4784800 30.2952 28.3706 -16.4936 28.1509 -29.6813 -35.6084 -16.8738 -32.1213 -23.7745 TIMING: 4784800 CPU: 13904.5, 0.00290848/step Wall: 13904.5, 0.00290848/step, 0.173862 hours remaining, 208.492188 MB of memory in use. ENERGY: 4784800 752.6348 2117.0042 1970.2292 120.0584 -206283.5433 17919.2943 0.0000 0.0000 34162.5484 -149241.7739 298.3500 -183404.3223 -149136.2580 298.7201 -95.8523 -62.0363 559160.8757 -7.8312 -7.7202 PRESSURE: 4785000 11.1302 -211.058 -189.628 -211.058 -29.9037 -43.4541 -189.63 -43.453 -68.035 GPRESSURE: 4785000 60.8742 -221.675 -267.536 -225.261 -33.9176 -71.4952 -128.366 -22.1302 -4.17579 PRESSAVG: 4785000 32.3783 30.4036 -19.2804 30.4036 -13.9162 34.0359 -19.2804 34.0359 -46.5945 GPRESSAVG: 4785000 31.7049 29.3723 -18.7823 31.7245 -13.6236 35.3928 -18.5729 32.8243 -46.7561 TIMING: 4785000 CPU: 13905.1, 0.0029104/step Wall: 13905.1, 0.0029104/step, 0.173816 hours remaining, 208.660156 MB of memory in use. ENERGY: 4785000 713.5574 2145.8239 1996.5977 119.6502 -206231.4518 17789.1099 0.0000 0.0000 34236.6755 -149230.0373 298.9974 -183466.7128 -149133.8463 299.1487 -28.9362 7.5936 558114.3361 -9.3774 -9.5583 PRESSURE: 4785200 -20.2222 -117.823 102.267 -117.823 -355.769 54.0851 102.268 54.0855 -241.386 GPRESSURE: 4785200 -0.939958 -122.466 70.4551 -65.4686 -347.04 -3.42825 137.508 54.3594 -171.405 PRESSAVG: 4785200 17.49 -30.0782 24.5385 -30.0783 -0.273068 35.1736 24.5384 35.1737 -5.64305 GPRESSAVG: 4785200 16.8862 -28.0379 23.2769 -31.4226 -0.862423 35.6973 24.0246 35.2928 -3.89708 TIMING: 4785200 CPU: 13905.7, 0.00288808/step Wall: 13905.7, 0.00288808/step, 0.172322 hours remaining, 208.660156 MB of memory in use. ENERGY: 4785200 794.1525 2094.5747 1961.6623 124.8056 -206263.0624 17829.4242 0.0000 0.0000 34085.8376 -149372.6056 297.6801 -183458.4432 -149273.5973 298.9551 -205.7926 -173.1282 558000.9451 3.8580 4.0422 PRESSURE: 4785400 -75.369 -65.9932 64.5163 -65.9931 -144.389 10.6362 64.5149 10.6366 -154.51 GPRESSURE: 4785400 -25.1777 -19.0592 13.0337 -73.8412 -123.728 4.6133 98.499 74.6654 -129.767 PRESSAVG: 4785400 31.8468 -6.80622 -34.1059 -6.80626 17.9472 45.9014 -34.1058 45.9014 -62.6049 GPRESSAVG: 4785400 32.4851 -7.89566 -33.7178 -7.6871 18.1452 47.3343 -34.2862 45.1162 -63.0416 TIMING: 4785400 CPU: 13906.3, 0.00289677/step Wall: 13906.3, 0.00289677/step, 0.172679 hours remaining, 208.660156 MB of memory in use. ENERGY: 4785400 810.7543 2091.9026 1971.0764 123.1526 -206316.5677 17798.7984 0.0000 0.0000 34081.8379 -149439.0455 297.6452 -183520.8834 -149342.8380 299.0409 -124.7559 -92.8907 556970.1184 -4.2703 -4.1371 PRESSURE: 4785600 47.5889 -95.4242 -119.195 -95.4259 -116.572 -19.0594 -119.197 -19.0613 -174.42 GPRESSURE: 4785600 72.667 -118.171 -142.369 -98.5573 -43.5177 136.148 -78.474 -176.264 -181.837 PRESSAVG: 4785600 24.0643 -38.6422 42.8325 -38.6422 -7.79973 10.5121 42.8325 10.512 -10.7513 GPRESSAVG: 4785600 23.6908 -40.6426 41.0334 -35.8499 -7.01469 10.492 43.9238 8.21259 -11.7475 TIMING: 4785600 CPU: 13906.9, 0.00288046/step Wall: 13906.9, 0.00288046/step, 0.171547 hours remaining, 208.660156 MB of memory in use. ENERGY: 4785600 742.4842 2140.1982 1962.1770 108.6739 -206095.3897 17720.3419 0.0000 0.0000 34167.7912 -149253.7233 298.3958 -183421.5145 -149157.0949 299.1939 -81.1344 -50.8959 557676.5029 1.8378 1.6429 PRESSURE: 4785800 1.65368 -137.878 78.224 -137.879 -159.466 1.47309 78.2242 1.47238 22.1332 GPRESSURE: 4785800 16.7554 -172.102 48.9922 -160.864 -146.6 -1.94826 75.0611 75.0919 87.6911 PRESSAVG: 4785800 47.0878 -32.0143 -18.6057 -32.0143 -7.92057 8.89736 -18.6056 8.89742 -11.6195 GPRESSAVG: 4785800 45.9426 -31.8398 -18.026 -31.9255 -8.0635 8.73622 -18.2972 9.64982 -10.6189 TIMING: 4785800 CPU: 13907.4, 0.00290998/step Wall: 13907.4, 0.00290998/step, 0.173144 hours remaining, 208.660156 MB of memory in use. ENERGY: 4785800 787.5549 2178.4905 1928.5630 128.9210 -206296.5872 17807.8023 0.0000 0.0000 34233.3446 -149231.9110 298.9683 -183465.2556 -149142.1570 299.8168 -45.2262 -14.0513 557420.9567 9.1826 9.0868 PRESSURE: 4786000 -452.635 129.718 -62.2049 129.717 -111.236 -90.3179 -62.2039 -90.3186 -27.109 GPRESSURE: 4786000 -426.989 83.8042 -116.941 182.777 -100.592 -71.4114 -41.8297 -168.918 29.7748 PRESSAVG: 4786000 -45.7706 23.6929 70.3794 23.693 12.3736 -12.4067 70.3793 -12.4069 -9.68405 GPRESSAVG: 4786000 -44.8965 23.4134 72.4939 24.2046 12.5383 -13.4929 69.5502 -9.82614 -10.184 TIMING: 4786000 CPU: 13908, 0.00289928/step Wall: 13908, 0.00289928/step, 0.172346 hours remaining, 208.660156 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: 4786000 761.1873 2151.2145 1976.8072 109.7933 -205923.4433 17519.9807 0.0000 0.0000 34222.2295 -149182.2309 298.8712 -183404.4604 -149091.6102 299.5418 -196.9932 -165.9354 558084.9715 -14.3604 -14.1807 PRESSURE: 4786200 -166.307 -67.4766 167.566 -67.4769 107.81 67.4808 167.566 67.4821 89.112 GPRESSURE: 4786200 -111.995 -148.694 166.426 26.2842 115.791 97.9678 277.6 75.6999 122.482 PRESSAVG: 4786200 -38.3835 44.4885 -4.23376 44.4885 42.5722 -20.6707 -4.23387 -20.6707 5.89002 GPRESSAVG: 4786200 -38.1113 46.2413 -4.13777 45.1041 41.5219 -20.3272 -5.02815 -22.1002 6.58959 TIMING: 4786200 CPU: 13908.6, 0.00290351/step Wall: 13908.6, 0.00290351/step, 0.172436 hours remaining, 208.660156 MB of memory in use. ENERGY: 4786200 763.0694 2095.0420 1948.0007 115.5603 -206397.5829 17797.2238 0.0000 0.0000 34427.1658 -149251.5208 300.6610 -183678.6866 -149149.6399 299.3095 10.2050 42.0925 557351.8920 3.3596 3.3334 PRESSURE: 4786400 26.9071 -44.9824 139.303 -44.9832 -137.261 -238.553 139.304 -238.553 -7.76333 GPRESSURE: 4786400 22.3754 -120.973 202.464 -30.08 -71.0075 -217.44 123.886 -258.411 19.2472 PRESSAVG: 4786400 105.753 28.3331 -1.07667 28.3331 -55.9359 -4.46151 -1.07664 -4.46156 -73.04 GPRESSAVG: 4786400 106.108 26.7859 -2.71026 27.4509 -55.3983 -5.25636 1.45061 -2.6575 -74.176 TIMING: 4786400 CPU: 13909.2, 0.0029026/step Wall: 13909.2, 0.0029026/step, 0.172221 hours remaining, 208.660156 MB of memory in use. ENERGY: 4786400 776.5869 2184.9599 1924.3019 130.2786 -206178.0494 17705.9210 0.0000 0.0000 34156.8398 -149299.1612 298.3002 -183456.0010 -149202.4798 298.9688 -39.3724 -9.7950 556719.0245 -7.7411 -7.8220 PRESSURE: 4786600 -286.382 78.2914 -2.12848 78.2913 -135.943 -51.6402 -2.12883 -51.6401 -271.415 GPRESSURE: 4786600 -286.594 104.952 -30.6761 128.772 -74.6052 -73.3719 -1.39159 -55.7122 -251.041 PRESSAVG: 4786600 57.5401 52.0995 -12.6311 52.0995 -14.9455 -4.51438 -12.6312 -4.51442 -44.5999 GPRESSAVG: 4786600 57.7182 52.8655 -12.4823 51.1898 -15.0036 -3.06045 -14.0767 -7.93664 -44.4559 TIMING: 4786600 CPU: 13909.8, 0.00291975/step Wall: 13909.8, 0.00291975/step, 0.173077 hours remaining, 208.660156 MB of memory in use. ENERGY: 4786600 735.4960 2118.7560 1936.6324 123.9422 -205889.7374 17550.5801 0.0000 0.0000 34078.7789 -149345.5518 297.6185 -183424.3308 -149249.4950 299.2883 -231.2466 -204.0800 559054.0503 -0.6684 -0.5804 PRESSURE: 4786800 -121.73 -90.2587 7.25905 -90.2584 0.888315 -72.5714 7.25999 -72.5715 -306.523 GPRESSURE: 4786800 -80.7702 -97.6996 -23.0894 -72.9022 -8.69369 23.5446 31.4397 -80.488 -255.778 PRESSAVG: 4786800 14.0872 25.0297 28.0885 25.0296 63.9747 -2.04341 28.0885 -2.04339 -49.2813 GPRESSAVG: 4786800 15.0608 26.8572 29.0058 24.2106 63.5182 -3.27269 27.3904 0.647573 -49.9278 TIMING: 4786800 CPU: 13910.3, 0.00291922/step Wall: 13910.3, 0.00291922/step, 0.172882 hours remaining, 208.660156 MB of memory in use. ENERGY: 4786800 755.9161 2129.0930 1946.2956 119.1489 -206105.1204 17546.1481 0.0000 0.0000 34332.7165 -149275.8021 299.8362 -183608.5186 -149181.8824 298.8942 -142.4547 -115.0805 556440.5448 9.5935 9.5504 PRESSURE: 4787000 53.3598 -134.817 -11.493 -134.817 -229.264 -42.6508 -11.492 -42.6519 -262.585 GPRESSURE: 4787000 57.9207 -115.644 -90.0771 -153.584 -242.291 -17.4792 -24.5794 -22.6909 -152.811 PRESSAVG: 4787000 51.1337 17.3496 -19.7395 17.3496 -79.8901 12.8515 -19.7396 12.8515 -13.7051 GPRESSAVG: 4787000 49.6654 17.5504 -21.7873 16.8433 -79.3559 16.0663 -18.0149 10.796 -12.5113 TIMING: 4787000 CPU: 13910.9, 0.00289759/step Wall: 13910.9, 0.00289759/step, 0.171441 hours remaining, 208.660156 MB of memory in use. ENERGY: 4787000 744.2221 2121.5798 1936.6025 113.0590 -205577.6452 17419.4441 0.0000 0.0000 34078.7252 -149164.0124 297.6180 -183242.7376 -149069.6790 299.5204 -146.1631 -112.3938 558181.6865 -14.1538 -14.0673 PRESSURE: 4787200 -34.3961 8.04318 -60.2202 8.04318 -53.8548 -173.177 -60.2205 -173.178 -138.477 GPRESSURE: 4787200 -15.1572 17.0888 -89.1854 15.2969 -48.2249 -166.234 -11.9486 -150.425 -71.7936 PRESSAVG: 4787200 -3.07111 -23.4499 31.9457 -23.45 -43.1963 -32.0179 31.9458 -32.018 40.101 GPRESSAVG: 4787200 -1.21953 -25.0919 34.1237 -20.9662 -43.1204 -33.7858 30.6156 -31.3429 38.2569 TIMING: 4787200 CPU: 13911.5, 0.00289806/step Wall: 13911.5, 0.00289806/step, 0.171308 hours remaining, 208.660156 MB of memory in use. ENERGY: 4787200 733.3332 2082.4339 1948.4170 110.0432 -206078.5916 17635.1308 0.0000 0.0000 34162.3855 -149406.8480 298.3486 -183569.2335 -149311.7893 298.8908 -75.5761 -45.0585 556743.9352 -2.0555 -2.0277 PRESSURE: 4787400 -266.558 -60.2052 41.3085 -60.2057 -84.3951 57.3636 41.3075 57.364 -194.221 GPRESSURE: 4787400 -235.695 -23.7616 110.085 -53.4866 -50.2691 75.5898 60.7492 61.9418 -162.537 PRESSAVG: 4787400 36.1596 -13.6072 16.7984 -13.6071 24.7843 -16.0952 16.7984 -16.0953 -94.6665 GPRESSAVG: 4787400 34.4922 -13.5942 16.2316 -14.2505 24.4397 -17.1895 17.9397 -14.5928 -93.3526 TIMING: 4787400 CPU: 13912.1, 0.00289579/step Wall: 13912.1, 0.00289579/step, 0.171013 hours remaining, 208.660156 MB of memory in use. ENERGY: 4787400 765.8707 2088.6048 1966.3755 116.6437 -206014.7652 17567.2087 0.0000 0.0000 34182.1696 -149327.8922 298.5214 -183510.0618 -149231.7043 299.0331 -181.7247 -149.5005 558622.7500 -11.2408 -11.4736 PRESSURE: 4787600 282.821 -88.2411 -5.36504 -88.2406 -273.308 -161.432 -5.36479 -161.431 69.7974 GPRESSURE: 4787600 270.04 -35.7076 -2.5044 -58.4442 -191.873 -176.31 61.2083 -114.583 90.4328 PRESSAVG: 4787600 103.491 -20.5019 71.3203 -20.5021 -38.2325 -26.3204 71.3203 -26.3203 -4.57281 GPRESSAVG: 4787600 103.062 -19.2238 70.453 -20.9925 -37.25 -25.8137 71.7361 -27.1922 -4.89923 TIMING: 4787600 CPU: 13912.7, 0.00290688/step Wall: 13912.7, 0.00290688/step, 0.171506 hours remaining, 208.660156 MB of memory in use. ENERGY: 4787600 723.6052 2101.0584 1965.3475 108.2256 -206385.5551 17946.8060 0.0000 0.0000 34173.9419 -149366.5706 298.4495 -183540.5125 -149274.3260 298.5120 26.4367 56.2000 558564.4384 20.2285 20.3044 PRESSURE: 4787800 -155.266 15.5031 12.8967 15.5025 -380.954 30.0055 12.8973 30.0063 -278.868 GPRESSURE: 4787800 -71.187 37.9481 80.0109 16.6584 -373.827 9.49312 -48.2268 55.083 -271.36 PRESSAVG: 4787800 36.774 17.9168 58.3453 17.9168 -0.557452 -9.22172 58.3454 -9.22166 -50.1122 GPRESSAVG: 4787800 36.8338 17.1473 59.4698 17.6142 0.362592 -8.7031 56.8019 -12.1052 -51.0555 TIMING: 4787800 CPU: 13913.2, 0.00290642/step Wall: 13913.2, 0.00290642/step, 0.171317 hours remaining, 208.796875 MB of memory in use. ENERGY: 4787800 749.3870 2041.0210 1933.6458 112.9128 -205670.7711 17474.1909 0.0000 0.0000 34034.3910 -149325.2226 297.2308 -183359.6136 -149230.4024 298.8827 -271.6960 -238.7912 559132.5636 -4.6319 -4.6197 PRESSURE: 4788000 -13.387 -51.7464 -0.331721 -51.7467 18.6452 -40.7931 -0.332586 -40.7931 -119.597 GPRESSURE: 4788000 -14.8879 -69.9965 14.3276 -6.29667 -1.43368 -21.6768 -63.5906 -36.1005 -7.03696 PRESSAVG: 4788000 45.6038 -12.5684 74.6951 -12.5683 -18.7531 10.9788 74.695 10.9789 -22.8565 GPRESSAVG: 4788000 46.7629 -13.6779 73.3847 -11.9077 -20.2792 12.2824 74.9573 13.1519 -22.7905 TIMING: 4788000 CPU: 13913.8, 0.00292685/step Wall: 13913.8, 0.00292685/step, 0.172359 hours remaining, 208.796875 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: 4788000 769.9762 2037.3379 1951.7637 120.1905 -205938.7465 17754.9728 0.0000 0.0000 34029.8950 -149274.6104 297.1915 -183304.5054 -149180.0151 298.4602 -38.1130 -7.7862 558943.0743 1.3314 1.2311 PRESSURE: 4788200 60.411 0.215858 16.5383 0.214827 -10.8462 -130.674 16.5384 -130.673 -67.5639 GPRESSURE: 4788200 86.3928 -72.0373 2.39183 -3.0832 70.388 -177.127 21.8021 -128.186 -68.7584 PRESSAVG: 4788200 14.768 -54.7955 -39.994 -54.7954 -43.909 -18.1555 -39.994 -18.1553 25.3047 GPRESSAVG: 4788200 13.7291 -55.7995 -42.0039 -55.3379 -43.969 -19.3952 -41.0686 -18.7879 25.9763 TIMING: 4788200 CPU: 13914.4, 0.00292255/step Wall: 13914.4, 0.00292255/step, 0.171943 hours remaining, 208.796875 MB of memory in use. ENERGY: 4788200 725.0415 2103.5551 1943.6528 111.9257 -206160.9548 17790.9834 0.0000 0.0000 34426.3056 -149059.4906 300.6535 -183485.7961 -148955.9426 298.9976 -5.9997 29.3408 557080.1118 -1.2787 -1.4212 LDB: ============= START OF LOAD BALANCING ============== 13917.9 LDB: ============== END OF LOAD BALANCING =============== 13917.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13917.9 LDB: ============= START OF LOAD BALANCING ============== 13918.2 LDB: Largest compute 4848 load 0.029797 is 25.3% of average load 0.117828 LDB: Average compute 0.001726 is 1.5% of average load 0.117828 LDB: TIME 13918.2 LOAD: AVG 0.117828 MAX 0.184718 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.211 MB LDB: TIME 13918.2 LOAD: AVG 0.117828 MAX 0.184718 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.215 MB LDB: TIME 13918.2 LOAD: AVG 0.117828 MAX 0.184718 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.215 MB LDB: ============== END OF LOAD BALANCING =============== 13918.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13918.2 PRESSURE: 4788400 38.2983 -86.4103 -101.048 -86.4087 -32.159 44.9445 -101.047 44.945 -9.02521 GPRESSURE: 4788400 121.797 -67.7854 -65.9992 -0.443444 -32.8037 9.21293 -72.7997 102.179 5.62413 PRESSAVG: 4788400 13.0291 -17.9042 22.9059 -17.9042 -15.0141 -3.67758 22.906 -3.67742 -34.2941 GPRESSAVG: 4788400 13.7772 -14.9163 24.9913 -19.7056 -15.2925 -3.86725 21.8651 -5.59826 -34.2097 TIMING: 4788400 CPU: 13915, 0.00298441/step Wall: 13915, 0.00298441/step, 0.175417 hours remaining, 208.117188 MB of memory in use. ENERGY: 4788400 739.2490 2116.2378 1954.2955 118.5847 -206003.0532 17829.3910 0.0000 0.0000 34068.6409 -149176.6543 297.5299 -183245.2952 -149086.7270 298.6620 -0.9620 31.5390 557900.6096 -12.0931 -11.9083 PRESSURE: 4788600 227.77 116.354 45.765 116.354 -27.4247 -30.632 45.7638 -30.6342 135.27 GPRESSURE: 4788600 234.159 52.2565 13.7563 118.773 -11.4542 -59.4221 33.4796 -36.5925 205.444 PRESSAVG: 4788600 40.0055 -41.36 23.7817 -41.36 -13.4647 -16.2178 23.7817 -16.2178 4.70641 GPRESSAVG: 4788600 38.2319 -42.6938 25.4162 -39.6176 -12.2609 -15.3661 23.9249 -12.4422 4.92139 TIMING: 4788600 CPU: 13915.6, 0.00291124/step Wall: 13915.6, 0.00291124/step, 0.170954 hours remaining, 208.199219 MB of memory in use. ENERGY: 4788600 722.6058 2037.1970 1970.9428 117.6314 -206392.9800 17978.1967 0.0000 0.0000 34137.7720 -149428.6345 298.1337 -183566.4065 -149332.3732 298.4120 111.8717 142.7162 557688.9970 10.4157 10.2974 PRESSURE: 4788800 165.196 -184.099 -38.2522 -184.1 -194.958 -71.4443 -38.2527 -71.4449 -147.791 GPRESSURE: 4788800 245.63 -179.684 -24.1456 -188.865 -148.17 -25.9955 -40.6284 -136.82 -175.007 PRESSAVG: 4788800 40.7558 -54.3881 -11.8972 -54.3881 -58.0666 -17.5731 -11.8972 -17.5731 -17.2275 GPRESSAVG: 4788800 41.6646 -55.7732 -14.0842 -56.3601 -59.3607 -19.4587 -10.8218 -18.4683 -16.7901 TIMING: 4788800 CPU: 13916.2, 0.00289985/step Wall: 13916.2, 0.00289985/step, 0.170124 hours remaining, 208.199219 MB of memory in use. ENERGY: 4788800 759.4403 2135.8196 1934.7482 105.6416 -206129.3930 17836.6433 0.0000 0.0000 34047.8493 -149309.2506 297.3483 -183357.0999 -149214.5778 298.6305 -59.1840 -25.8491 557332.6382 -11.5128 -11.4954 PRESSURE: 4789000 -35.0136 -33.7492 36.2521 -33.7496 35.3515 45.2326 36.2516 45.2333 83.5355 GPRESSURE: 4789000 10.9083 -70.1659 23.2071 -14.8817 68.2693 27.9996 -8.73473 54.9424 94.7509 PRESSAVG: 4789000 -30.1891 15.9796 -4.13968 15.9796 13.505 0.691196 -4.13971 0.691068 -6.06755 GPRESSAVG: 4789000 -30.4632 16.6155 -4.10732 19.207 13.4376 0.644664 -6.8358 1.97148 -5.72137 TIMING: 4789000 CPU: 13916.8, 0.00289864/step Wall: 13916.8, 0.00289864/step, 0.169893 hours remaining, 208.199219 MB of memory in use. ENERGY: 4789000 734.2830 2092.5350 1965.1910 113.5961 -206298.4134 17840.6793 0.0000 0.0000 34341.0549 -149211.0741 299.9090 -183552.1290 -149115.2888 298.7394 27.9578 57.9761 556609.4123 -7.5839 -7.5823 PRESSURE: 4789200 -245.714 -77.1297 -59.6419 -77.1281 -197.873 18.8646 -59.6403 18.8649 57.357 GPRESSURE: 4789200 -243.346 -35.8943 -63.4532 -85.2717 -103.596 15.9887 -56.0589 -1.07489 65.8768 PRESSAVG: 4789200 23.4907 -5.60349 4.83997 -5.60352 -80.3227 32.8381 4.83995 32.838 43.3738 GPRESSAVG: 4789200 22.8991 -6.40284 4.22305 -7.89453 -78.7972 33.9078 8.27844 31.6791 42.2895 TIMING: 4789200 CPU: 13917.3, 0.00290982/step Wall: 13917.3, 0.00290982/step, 0.170386 hours remaining, 208.199219 MB of memory in use. ENERGY: 4789200 741.3506 2140.7798 1953.7755 112.1642 -205845.2044 17640.2350 0.0000 0.0000 34297.1758 -148959.7235 299.5258 -183256.8993 -148855.2421 299.8320 -128.7435 -93.6885 557014.8059 -4.4861 -4.5362 PRESSURE: 4789400 -130.832 -172.948 104.067 -172.948 -120.112 74.425 104.066 74.4248 69.2122 GPRESSURE: 4789400 -61.2598 -186.963 155.059 -156.283 -93.5514 55.2508 49.4523 90.1572 71.4501 PRESSAVG: 4789400 -29.6556 -68.9891 -34.8879 -68.989 -5.42678 3.92599 -34.8879 3.9259 17.6659 GPRESSAVG: 4789400 -28.9962 -68.9889 -35.1452 -66.9627 -6.45038 2.6161 -35.3497 6.87675 17.8243 TIMING: 4789400 CPU: 13917.9, 0.00289648/step Wall: 13917.9, 0.00289648/step, 0.169444 hours remaining, 208.199219 MB of memory in use. ENERGY: 4789400 760.0099 2142.2417 1975.4660 112.0017 -206411.1037 17778.2996 0.0000 0.0000 34605.3377 -149037.7471 302.2170 -183643.0849 -148944.6076 299.6444 -60.5775 -27.7870 557127.0277 -5.8055 -5.8741 PRESSURE: 4789600 -16.1534 -22.3564 -82.1286 -22.3558 -151.724 -61.1086 -82.1298 -61.11 -197.686 GPRESSURE: 4789600 -6.05894 -33.0291 -117.491 -25.0587 -103.655 -50.7495 -38.7805 -100.095 -151.519 PRESSAVG: 4789600 -12.7986 38.9881 11.1147 38.9882 -10.5232 -8.7373 11.1147 -8.73747 56.9355 GPRESSAVG: 4789600 -13.5429 38.2401 11.2511 37.8688 -10.3992 -7.28914 11.8198 -12.3829 57.508 TIMING: 4789600 CPU: 13918.5, 0.00289899/step Wall: 13918.5, 0.00289899/step, 0.16943 hours remaining, 208.199219 MB of memory in use. ENERGY: 4789600 734.9567 2118.4355 1990.5149 116.2917 -205835.0388 17681.0814 0.0000 0.0000 34224.0331 -148969.7255 298.8870 -183193.7586 -148870.7726 299.8478 -121.8545 -87.0778 559250.4264 11.2046 11.1886 PRESSURE: 4789800 -159.972 -25.6542 -105.194 -25.6539 -79.9911 -146.186 -105.194 -146.185 -83.2107 GPRESSURE: 4789800 -167.805 -61.0979 -156.651 -0.342033 -26.8405 -123.753 -60.8048 -151.124 -35.1487 PRESSAVG: 4789800 -74.6788 6.38051 -37.5522 6.38047 -12.7943 -35.2651 -37.5522 -35.2651 85.6518 GPRESSAVG: 4789800 -72.9905 8.75297 -39.4318 5.63232 -11.7691 -36.5666 -37.165 -34.5535 83.1607 TIMING: 4789800 CPU: 13919.1, 0.0029076/step Wall: 13919.1, 0.0029076/step, 0.169771 hours remaining, 208.199219 MB of memory in use. ENERGY: 4789800 762.0726 2107.8684 1955.8010 103.5211 -205860.5520 17678.8807 0.0000 0.0000 34246.2299 -149006.1784 299.0808 -183252.4082 -148911.3146 300.0592 -107.7247 -76.5980 558325.5978 -0.6071 -0.5330 PRESSURE: 4790000 -283.093 -33.0848 -38.2414 -33.0845 43.3994 140.723 -38.2408 140.725 197.784 GPRESSURE: 4790000 -278.23 -11.6525 -137.595 -40.2629 85.2831 199.387 -2.52812 123.718 244.882 PRESSAVG: 4790000 34.3553 -5.06488 -29.7231 -5.065 -62.782 0.51227 -29.723 0.512254 16.4171 GPRESSAVG: 4790000 33.7838 -5.20097 -25.7604 -3.98261 -63.1216 1.44867 -32.1286 1.16735 16.8897 TIMING: 4790000 CPU: 13919.7, 0.00291797/step Wall: 13919.7, 0.00291797/step, 0.170215 hours remaining, 208.199219 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: 4790000 763.1168 2074.3027 1999.5195 113.0359 -206181.0932 17948.2008 0.0000 0.0000 34248.0259 -149034.8918 299.0965 -183282.9176 -148939.4316 299.5377 -13.9699 17.3120 560026.8698 -4.0032 -4.1494 PRESSURE: 4790200 -41.6958 35.1101 -215.569 35.1106 186.641 111.31 -215.568 111.309 -25.8799 GPRESSURE: 4790200 -16.2415 73.2559 -278.406 -17.7814 203.031 80.3604 -176.999 72.9851 23.4655 PRESSAVG: 4790200 -24.5421 -9.868 -26.0236 -9.86802 5.72812 -33.2678 -26.0236 -33.2678 29.2325 GPRESSAVG: 4790200 -26.3818 -8.23544 -28.1323 -11.6319 6.89468 -34.5952 -25.1531 -33.3862 29.0121 TIMING: 4790200 CPU: 13920.2, 0.00293392/step Wall: 13920.2, 0.00293392/step, 0.170982 hours remaining, 208.199219 MB of memory in use. ENERGY: 4790200 729.5668 2146.3543 1966.1181 124.0554 -206115.3509 17902.6211 0.0000 0.0000 34205.1850 -149041.4503 298.7224 -183246.6353 -148941.4438 299.4924 39.6886 70.0849 557736.7907 3.4728 3.1750 PRESSURE: 4790400 -67.5043 -51.6375 -55.4837 -51.6364 -240.84 -100.767 -55.483 -100.769 -87.3182 GPRESSURE: 4790400 -69.6662 -79.4798 12.1315 -107.498 -155.782 -98.908 -45.4807 -50.3047 -70.2081 PRESSAVG: 4790400 -38.5773 -32.5099 -59.5498 -32.51 35.8597 8.67414 -59.5498 8.67408 -7.87942 GPRESSAVG: 4790400 -37.933 -33.0232 -59.6995 -32.9057 34.9691 8.77974 -59.4922 10.3831 -7.02465 TIMING: 4790400 CPU: 13920.8, 0.00289721/step Wall: 13920.8, 0.00289721/step, 0.168682 hours remaining, 208.199219 MB of memory in use. ENERGY: 4790400 742.3071 2092.0446 1989.5819 126.8695 -206532.9414 17816.6556 0.0000 0.0000 34455.8419 -149309.6407 300.9114 -183765.4826 -149212.6875 299.2940 -131.8875 -98.5522 557656.5892 -3.5324 -3.3295 PRESSURE: 4790600 -77.2679 -42.7156 -72.2879 -42.7167 -35.4572 -78.8606 -72.2878 -78.8602 -237.618 GPRESSURE: 4790600 -58.6772 -26.3123 -16.7234 -122.384 -21.3283 -102.763 -45.4894 -7.07775 -155.305 PRESSAVG: 4790600 -40.9008 -61.4959 -32.5611 -61.4959 31.0094 -18.7475 -32.5611 -18.7477 6.20001 GPRESSAVG: 4790600 -40.0475 -61.6825 -31.9057 -61.6084 29.8102 -16.4353 -30.7744 -21.9552 6.5139 TIMING: 4790600 CPU: 13921.4, 0.00291291/step Wall: 13921.4, 0.00291291/step, 0.169434 hours remaining, 208.199219 MB of memory in use. ENERGY: 4790600 752.9701 2085.9324 1940.3196 115.9457 -206004.2103 17636.1088 0.0000 0.0000 34325.0458 -149147.8881 299.7692 -183472.9339 -149047.2452 299.5853 -116.7810 -78.4366 558143.6177 -1.2305 -1.2411 PRESSURE: 4790800 49.2409 39.2711 26.9363 39.2717 92.0632 71.982 26.9382 71.9816 -25.0834 GPRESSURE: 4790800 146.203 -7.90483 94.7567 0.754998 150.506 31.4827 -56.9913 49.8455 -67.8754 PRESSAVG: 4790800 97.7104 9.02264 1.36052 9.02255 -30.4555 -24.8444 1.36058 -24.8443 -38.7752 GPRESSAVG: 4790800 98.3829 7.90226 0.640038 9.57542 -28.6177 -27.6803 0.442316 -23.0399 -40.772 TIMING: 4790800 CPU: 13922, 0.0029284/step Wall: 13922, 0.0029284/step, 0.170173 hours remaining, 208.199219 MB of memory in use. ENERGY: 4790800 749.8175 2116.7603 1979.0869 113.5067 -205957.8621 17777.4063 0.0000 0.0000 34037.6532 -149183.6312 297.2593 -183221.2844 -149094.2006 299.4053 38.7402 76.2780 557934.5511 9.4932 9.6644 PRESSURE: 4791000 56.8887 -74.5929 62.0729 -74.594 -8.22751 -264.435 62.0724 -264.435 86.5363 GPRESSURE: 4791000 101.169 -14.5707 39.5812 -92.0415 -10.0486 -271.208 156.205 -168.426 137.877 PRESSAVG: 4791000 23.4072 -49.6312 10.9019 -49.6313 12.6845 32.8129 10.9019 32.8129 4.47894 GPRESSAVG: 4791000 24.3101 -47.6929 14.3554 -51.2874 11.381 33.5346 10.95 34.8737 4.89167 TIMING: 4791000 CPU: 13922.6, 0.00291541/step Wall: 13922.6, 0.00291541/step, 0.169256 hours remaining, 208.199219 MB of memory in use. ENERGY: 4791000 745.5708 2096.8974 1956.4335 127.6580 -206433.2279 17774.1385 0.0000 0.0000 34296.4362 -149436.0935 299.5193 -183732.5298 -149349.4241 298.8057 45.0658 76.3326 556648.2224 13.5235 13.5276 PRESSURE: 4791200 73.4732 -48.28 -126.477 -48.2795 87.8535 62.8285 -126.478 62.83 -89.0551 GPRESSURE: 4791200 136.534 -28.5414 -115.945 -93.575 65.3027 78.3844 -175.898 170.007 -20.1991 PRESSAVG: 4791200 -5.65012 12.4673 17.4064 12.4673 6.15511 -10.4292 17.4064 -10.4292 0.0216947 GPRESSAVG: 4791200 -6.83701 9.94594 16.2854 13.1017 5.80821 -8.62751 18.7294 -11.3405 1.87717 TIMING: 4791200 CPU: 13923.2, 0.00291276/step Wall: 13923.2, 0.00291276/step, 0.16894 hours remaining, 208.199219 MB of memory in use. ENERGY: 4791200 751.2656 2115.7328 1990.3243 101.7456 -206553.8499 17827.8342 0.0000 0.0000 34270.0258 -149496.9215 299.2887 -183766.9473 -149398.5327 298.8401 24.0905 60.5459 556117.6691 0.1756 0.2828 PRESSURE: 4791400 -41.5173 -7.75679 -159.292 -7.75633 -439.837 21.9488 -159.292 21.9486 -394.401 GPRESSURE: 4791400 -15.5846 -22.6024 -113.986 -12.6892 -439.381 41.1044 -204.577 67.2473 -320.28 PRESSAVG: 4791400 80.6493 29.967 4.6594 29.967 -28.097 8.93725 4.65941 8.93735 -46.9209 GPRESSAVG: 4791400 80.0678 28.8897 3.44112 31.7268 -27.4262 9.55631 2.61226 7.35456 -47.428 TIMING: 4791400 CPU: 13923.7, 0.00291521/step Wall: 13923.7, 0.00291521/step, 0.16892 hours remaining, 208.199219 MB of memory in use. ENERGY: 4791400 765.3974 2100.2812 1957.5387 116.9329 -206186.6730 17553.7316 0.0000 0.0000 34045.0078 -149647.7835 297.3235 -183692.7913 -149555.2068 297.8360 -291.9182 -258.4154 557412.1855 1.8771 1.7379 PRESSURE: 4791600 329.005 -64.6778 11.4013 -64.6763 -137.415 27.6804 11.401 27.6814 -142.816 GPRESSURE: 4791600 327.507 -61.4223 15.7103 -53.6674 -85.0415 50.2365 -47.0676 -23.6347 -97.5376 PRESSAVG: 4791600 59.5078 -20.3912 13.1836 -20.3912 5.82291 21.5101 13.1837 21.5101 -71.6069 GPRESSAVG: 4791600 58.943 -18.4832 12.8657 -21.9452 5.436 19.6251 13.4437 22.7955 -71.3352 TIMING: 4791600 CPU: 13924.3, 0.00291729/step Wall: 13924.3, 0.00291729/step, 0.168879 hours remaining, 208.199219 MB of memory in use. ENERGY: 4791600 732.4536 2082.2117 1958.8082 112.0556 -206769.3209 18050.6440 0.0000 0.0000 34085.6573 -149747.4905 297.6785 -183833.1478 -149651.4275 297.8946 16.2580 48.3094 556231.8264 -2.0921 -2.3187 PRESSURE: 4791800 -129.623 -55.4516 -86.7015 -55.4517 4.1019 -185.238 -86.7012 -185.238 73.9288 GPRESSURE: 4791800 -129.746 8.55935 -62.656 -57.1943 87.1624 -191.83 -108.507 -173.228 77.6326 PRESSAVG: 4791800 21.6256 -57.2916 27.3134 -57.2915 -30.0993 44.8462 27.3134 44.8462 15.005 GPRESSAVG: 4791800 23.2827 -56.479 28.0612 -58.3146 -30.4909 46.0766 27.7946 43.8714 14.2305 TIMING: 4791800 CPU: 13924.9, 0.00293784/step Wall: 13924.9, 0.00293784/step, 0.169905 hours remaining, 208.199219 MB of memory in use. ENERGY: 4791800 722.8134 2041.5383 1960.3174 112.9883 -206711.4808 17939.9366 0.0000 0.0000 34340.4048 -149593.4819 299.9033 -183933.8868 -149492.3812 297.7326 -17.1975 11.6830 556251.6685 2.1771 2.3408 PRESSURE: 4792000 162.714 -7.01773 -53.1745 -7.01829 168.695 -59.737 -53.1748 -59.7351 37.9319 GPRESSURE: 4792000 201.255 65.1587 20.9156 -22.9427 199.35 -6.71057 -69.2481 -24.8304 68.0491 PRESSAVG: 4792000 -55.9804 -11.2934 -22.4572 -11.2934 34.4171 -11.8764 -22.4572 -11.8764 22.6106 GPRESSAVG: 4792000 -57.1514 -12.2587 -22.8075 -10.1714 34.8374 -11.1177 -24.0246 -9.55993 23.207 TIMING: 4792000 CPU: 13925.5, 0.00290449/step Wall: 13925.5, 0.0029045/step, 0.167815 hours remaining, 208.199219 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: 4792000 729.1865 2084.3365 1980.4131 96.2215 -206550.2448 18102.5428 0.0000 0.0000 34104.7434 -149452.8009 297.8452 -183557.5444 -149351.6863 298.6901 123.1136 156.2183 558062.8500 0.3491 0.2977 PRESSURE: 4792200 -68.0403 -110.162 -41.8528 -110.163 91.0635 -61.0485 -41.8524 -61.0479 -247.101 GPRESSURE: 4792200 -83.2609 -103.96 -29.2853 -95.0029 159.071 -134.893 -9.39001 50.9276 -203.122 PRESSAVG: 4792200 46.1207 29.0347 -20.2947 29.0348 -65.1393 -6.16368 -20.2947 -6.16364 -35.4141 GPRESSAVG: 4792200 44.7751 29.8354 -20.4813 28.2691 -65.6442 -8.79353 -17.1173 -7.30873 -33.6758 TIMING: 4792200 CPU: 13926.1, 0.00291361/step Wall: 13926.1, 0.00291361/step, 0.16818 hours remaining, 208.199219 MB of memory in use. ENERGY: 4792200 723.0879 2068.1536 1953.9029 125.1491 -206250.0048 17721.8253 0.0000 0.0000 34256.0316 -149401.8544 299.1664 -183657.8860 -149308.9470 298.5693 -74.6925 -42.4374 557625.5949 -18.1442 -18.1816 LDB: ============= START OF LOAD BALANCING ============== 13929.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13929.5 LDB: =============== DONE WITH MIGRATION ================ 13929.5 LDB: ============= START OF LOAD BALANCING ============== 13929.8 LDB: Largest compute 4848 load 0.031254 is 26.5% of average load 0.117891 LDB: Average compute 0.001737 is 1.5% of average load 0.117891 LDB: TIME 13929.8 LOAD: AVG 0.117891 MAX 0.183872 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 13929.8 LOAD: AVG 0.117891 MAX 0.183872 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.129 MB LDB: TIME 13929.8 LOAD: AVG 0.117891 MAX 0.183872 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13929.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13929.8 PRESSURE: 4792400 -62.239 -8.38496 71.5958 -8.3855 -56.6963 98.9089 71.5941 98.9093 -51.5567 GPRESSURE: 4792400 2.97851 37.9642 26.1022 17.8229 -39.0675 180.714 52.7554 65.1894 -52.3755 PRESSAVG: 4792400 20.7643 42.3281 51.0809 42.3281 -6.21092 24.7479 51.0809 24.7479 -18.0991 GPRESSAVG: 4792400 21.3231 39.7379 50.3574 43.1017 -6.50604 25.5399 49.6282 24.918 -19.3621 TIMING: 4792400 CPU: 13926.7, 0.00295657/step Wall: 13926.7, 0.00295657/step, 0.170496 hours remaining, 207.414062 MB of memory in use. ENERGY: 4792400 743.8819 2101.2507 1963.9408 107.5209 -205953.7038 17677.8370 0.0000 0.0000 34051.4822 -149307.7902 297.3801 -183359.2724 -149210.2352 298.9416 -56.8307 -29.4881 556216.2962 -1.1819 -1.5150 PRESSURE: 4792600 281.898 46.3807 0.50028 46.3807 312.27 92.667 0.502368 92.6682 22.3575 GPRESSURE: 4792600 303.67 -53.3176 47.9729 102.126 335.194 127.917 -46.7666 79.8622 70.9095 PRESSAVG: 4792600 -87.0719 -0.494837 72.5262 -0.494795 24.6554 18.8697 72.5263 18.8698 45.1708 GPRESSAVG: 4792600 -86.5273 1.47095 72.7095 0.476166 24.3821 19.3134 73.0439 17.0195 44.6937 TIMING: 4792600 CPU: 13927.2, 0.00290752/step Wall: 13927.2, 0.00290752/step, 0.167505 hours remaining, 207.617188 MB of memory in use. ENERGY: 4792600 725.8579 2093.7985 1959.1380 117.3541 -206552.7129 18178.3145 0.0000 0.0000 34082.5546 -149395.6954 297.6514 -183478.2501 -149298.2780 299.0660 205.5083 236.5913 555991.0128 -5.7486 -5.8172 PRESSURE: 4792800 -1.69244 10.6716 43.1606 10.6721 -163.325 9.24866 43.1617 9.24912 122.55 GPRESSURE: 4792800 127.212 9.31315 44.0387 10.8695 -217.88 62.5346 57.9749 -73.5129 145.576 PRESSAVG: 4792800 -7.92901 17.2145 -50.4717 17.2145 25.8401 -13.7047 -50.4718 -13.7047 -25.3341 GPRESSAVG: 4792800 -7.21933 17.4073 -52.0923 15.7963 24.6484 -14.4993 -48.9281 -12.1564 -24.8737 TIMING: 4792800 CPU: 13927.8, 0.00289868/step Wall: 13927.8, 0.00289868/step, 0.166835 hours remaining, 207.617188 MB of memory in use. ENERGY: 4792800 705.7939 2117.6410 1965.3137 116.4804 -206066.5963 17681.6786 0.0000 0.0000 34031.6708 -149448.0178 297.2070 -183479.6886 -149356.7574 298.2008 -14.1557 18.3030 557212.1004 -2.4744 -2.4816 PRESSURE: 4793000 -54.2811 -110.579 29.5592 -110.579 -152.796 -26.6217 29.5582 -26.6218 193.417 GPRESSURE: 4793000 18.2057 -192.899 116.716 -97.9715 -148.006 -40.1798 23.0763 2.3127 199.804 PRESSAVG: 4793000 -35.2605 -36.6319 -23.8334 -36.6319 15.7088 -42.3115 -23.8334 -42.3114 11.7963 GPRESSAVG: 4793000 -35.8987 -37.4077 -19.8359 -37.0036 17.6064 -42.02 -25.1736 -42.2049 10.1186 TIMING: 4793000 CPU: 13928.4, 0.00293125/step Wall: 13928.4, 0.00293125/step, 0.168547 hours remaining, 207.777344 MB of memory in use. ENERGY: 4793000 751.9262 2080.8901 1929.7769 100.8405 -206848.4305 18025.1805 0.0000 0.0000 34503.3515 -149456.4649 301.3264 -183959.8164 -149353.5218 298.0657 -4.5533 23.3349 557476.5578 -2.5851 -2.7246 PRESSURE: 4793200 -59.8803 214.966 -58.0101 214.967 236.595 2.02451 -58.0097 2.02406 216.347 GPRESSURE: 4793200 -11.0152 237.142 19.8149 127.739 259.017 66.2058 -39.2747 -35.0343 238.667 PRESSAVG: 4793200 -25.0048 8.95221 -28.2194 8.95211 27.0678 -30.4291 -28.2193 -30.4292 -2.55661 GPRESSAVG: 4793200 -24.4621 8.17319 -32.6679 9.06102 25.4226 -30.4327 -26.9683 -28.9407 -2.16423 TIMING: 4793200 CPU: 13929, 0.00290649/step Wall: 13929, 0.00290649/step, 0.166962 hours remaining, 207.777344 MB of memory in use. ENERGY: 4793200 755.8722 2107.8145 1971.8898 104.7952 -206689.5622 18106.5645 0.0000 0.0000 34391.6643 -149250.9618 300.3510 -183642.6261 -149149.5065 299.4231 131.0207 162.2229 556499.4780 -0.1646 -0.4013 PRESSURE: 4793400 -22.0609 78.4543 -96.1969 78.4539 158.929 -104.089 -96.1963 -104.09 -263.927 GPRESSURE: 4793400 2.32745 75.1692 -10.581 177.884 203.873 -124.612 -109.376 -84.756 -236.656 PRESSAVG: 4793400 14.5797 -5.72599 2.08114 -5.72599 8.84619 -19.8856 2.08121 -19.8856 -13.3947 GPRESSAVG: 4793400 13.0319 -3.01079 4.0427 -5.13675 9.8006 -20.2632 0.261949 -21.7357 -12.7622 TIMING: 4793400 CPU: 13929.6, 0.00291882/step Wall: 13929.6, 0.00291882/step, 0.167508 hours remaining, 207.777344 MB of memory in use. ENERGY: 4793400 738.6435 2102.3008 1972.4065 124.2631 -206001.9679 17532.8391 0.0000 0.0000 34324.6049 -149206.9101 299.7653 -183531.5149 -149110.1839 299.4833 -42.3529 -10.1518 555723.5887 3.3437 3.3568 PRESSURE: 4793600 166.861 -118.307 78.1312 -118.306 -111.827 -111.83 78.1322 -111.831 140.007 GPRESSURE: 4793600 180.204 -86.4078 79.5129 -170.177 -60.9744 -76.835 170.568 -237.669 174.012 PRESSAVG: 4793600 -12.2364 -7.89088 29.6867 -7.89086 -27.8242 -35.5529 29.6867 -35.553 43.6929 GPRESSAVG: 4793600 -12.46 -9.81058 30.8625 -6.27202 -27.7262 -35.2703 28.8316 -35.629 43.7756 TIMING: 4793600 CPU: 13930.2, 0.0029276/step Wall: 13930.2, 0.0029276/step, 0.167849 hours remaining, 207.777344 MB of memory in use. ENERGY: 4793600 727.8121 2146.0600 1978.0343 108.4939 -206483.5456 17912.6176 0.0000 0.0000 34467.1721 -149143.3555 301.0104 -183610.5276 -149050.4648 299.2097 65.0137 97.7472 556743.4226 1.2107 1.1965 PRESSURE: 4793800 -217.782 -142.944 73.1434 -142.943 139.113 -2.67424 73.1436 -2.6722 225.823 GPRESSURE: 4793800 -237.547 -194.796 73.5906 -167.539 225.498 -46.9998 13.24 39.0331 255.469 PRESSAVG: 4793800 11.0278 -28.1963 48.5209 -28.1964 26.2591 3.73757 48.5209 3.73747 4.61881 GPRESSAVG: 4793800 11.2867 -28.2625 46.9086 -29.0649 26.4475 3.94891 50.1667 3.62199 3.63076 TIMING: 4793800 CPU: 13930.7, 0.00292384/step Wall: 13930.7, 0.00292384/step, 0.167471 hours remaining, 207.777344 MB of memory in use. ENERGY: 4793800 731.8293 2062.4637 1986.2344 110.9351 -206315.5369 17900.7936 0.0000 0.0000 34228.0826 -149295.1983 298.9224 -183523.2809 -149198.2216 299.8282 49.0513 81.1402 555940.0766 13.9686 13.7883 PRESSURE: 4794000 -49.0503 157.99 3.12095 157.99 -188.731 -83.2327 3.1208 -83.232 57.5018 GPRESSURE: 4794000 -2.854 98.2587 14.2557 248.48 -164.799 -122.989 -20.8347 -92.9657 89.1736 PRESSAVG: 4794000 -20.6575 31.0288 51.3833 31.0288 -0.767538 -33.2549 51.3833 -33.2549 51.579 GPRESSAVG: 4794000 -21.0385 31.039 51.2619 30.4229 -1.98316 -32.6178 51.5519 -34.8194 53.3081 TIMING: 4794000 CPU: 13931.3, 0.00293044/step Wall: 13931.3, 0.00293044/step, 0.167686 hours remaining, 207.777344 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: 4794000 758.7307 2103.0320 1969.4459 102.8668 -205954.0142 17703.0895 0.0000 0.0000 34050.3555 -149266.4939 297.3702 -183316.8494 -149176.4187 299.3374 -60.0931 -26.1598 557489.4039 10.0513 10.0955 PRESSURE: 4794200 -277.413 -12.9364 105.367 -12.9372 -188.36 38.4216 105.367 38.4212 -93.4617 GPRESSURE: 4794200 -146.787 56.2672 79.4868 44.1482 -213.331 38.2244 123.755 91.5345 -96.5006 PRESSAVG: 4794200 -3.3584 56.8292 71.6977 56.8294 4.93409 16.3269 71.6979 16.3269 19.2436 GPRESSAVG: 4794200 -2.66136 55.2906 73.0519 57.4773 5.86325 14.3756 71.9073 18.1535 18.2666 TIMING: 4794200 CPU: 13931.9, 0.00290737/step Wall: 13931.9, 0.00290737/step, 0.166205 hours remaining, 207.777344 MB of memory in use. ENERGY: 4794200 760.2752 2047.9346 1984.9217 104.6332 -205794.1089 17684.5456 0.0000 0.0000 33896.2403 -149315.5582 296.0243 -183211.7985 -149219.9329 299.0761 -186.4117 -152.2064 558445.4062 6.9398 7.1562 PRESSURE: 4794400 -169.853 60.7469 -8.99274 60.7461 -217.098 -6.43881 -8.99443 -6.43815 -87.3012 GPRESSURE: 4794400 -157.471 55.6239 90.3713 25.8376 -200.918 -123.522 26.444 2.96241 -21.0309 PRESSAVG: 4794400 -44.4525 -17.3514 18.1581 -17.3515 51.6993 -11.0715 18.1582 -11.0715 33.4043 GPRESSAVG: 4794400 -43.4318 -16.7948 20.4877 -16.5188 50.7226 -10.3317 16.1309 -10.7924 33.5932 TIMING: 4794400 CPU: 13932.5, 0.00291807/step Wall: 13932.5, 0.00291807/step, 0.166654 hours remaining, 207.777344 MB of memory in use. ENERGY: 4794400 764.1381 2051.9415 1992.6414 110.3377 -205813.3459 17419.3953 0.0000 0.0000 34205.4631 -149269.4288 298.7248 -183474.8919 -149178.8256 298.8863 -158.0841 -126.4733 557176.0693 13.5504 13.6280 PRESSURE: 4794600 -111.352 130.529 98.9203 130.529 131.108 -28.8589 98.9204 -28.8587 35.3928 GPRESSURE: 4794600 -67.482 45.3413 157.173 193.883 171.156 -78.4196 154.487 35.4299 71.3512 PRESSAVG: 4794600 19.2212 32.6983 15.4753 32.6983 -53.8671 -15.9877 15.4754 -15.9876 0.123383 GPRESSAVG: 4794600 18.9326 35.2062 14.2708 30.3528 -52.4556 -14.9944 16.9045 -17.4856 -0.967017 TIMING: 4794600 CPU: 13933.1, 0.00293696/step Wall: 13933.1, 0.00293696/step, 0.16757 hours remaining, 207.777344 MB of memory in use. ENERGY: 4794600 776.9141 2085.6795 1967.5803 105.6957 -206389.8953 17877.5001 0.0000 0.0000 34281.3638 -149295.1618 299.3877 -183576.5256 -149202.7436 298.8571 18.3829 58.3417 556096.9661 -11.5075 -11.4967 PRESSURE: 4794800 -30.0615 42.9851 138.167 42.9854 -34.428 34.5411 138.167 34.542 22.1997 GPRESSURE: 4794800 -10.8033 -50.0015 156.31 48.1603 21.2651 88.3959 161.192 56.9518 30.6554 PRESSAVG: 4794800 -3.08937 -52.5731 3.48246 -52.573 18.3634 11.3519 3.48252 11.3519 23.7825 GPRESSAVG: 4794800 -2.76297 -53.6724 3.20308 -52.2647 18.1186 12.278 3.7451 12.531 23.5994 TIMING: 4794800 CPU: 13933.7, 0.00293025/step Wall: 13933.7, 0.00293025/step, 0.167024 hours remaining, 207.777344 MB of memory in use. ENERGY: 4794800 775.3928 2073.2712 1951.6780 114.0707 -206322.6966 17728.3698 0.0000 0.0000 34340.3817 -149339.5324 299.9031 -183679.9141 -149247.2806 299.1098 -14.0966 13.7058 556404.9091 13.0189 12.9850 PRESSURE: 4795000 -131.31 -52.9744 61.3689 -52.975 -199.545 91.9759 61.3699 91.9749 -148.639 GPRESSURE: 4795000 -92.3101 -44.3262 22.2634 19.7989 -164.495 64.0871 151.471 108.968 -130.198 PRESSAVG: 4795000 -26.7405 28.8786 9.95957 28.8786 -10.8716 43.5411 9.95952 43.5411 24.8719 GPRESSAVG: 4795000 -27.9257 28.8905 11.4906 30.1624 -12.1174 41.0595 10.9257 43.4435 26.756 TIMING: 4795000 CPU: 13934.3, 0.0029273/step Wall: 13934.3, 0.0029273/step, 0.166693 hours remaining, 207.777344 MB of memory in use. ENERGY: 4795000 730.8581 2110.6937 1954.6988 116.1648 -206269.4193 17776.8609 0.0000 0.0000 34207.3218 -149372.8211 298.7410 -183580.1430 -149269.6019 299.0975 -159.8313 -129.0011 557495.1271 -4.2467 -4.4290 PRESSURE: 4795200 -229.229 238.549 -1.64699 238.548 -130.416 -196.807 -1.64625 -196.808 -37.37 GPRESSURE: 4795200 -169.907 228.815 -83.5958 245.03 -94.7228 -142.101 -28.0813 -198.758 -38.7057 PRESSAVG: 4795200 -34.5308 -17.3296 39.1694 -17.3297 52.8506 23.0439 39.1694 23.0439 15.7582 GPRESSAVG: 4795200 -35.1832 -17.8744 39.2949 -17.3746 54.5245 25.4354 37.149 22.0424 14.7053 TIMING: 4795200 CPU: 13934.8, 0.00291844/step Wall: 13934.8, 0.00291844/step, 0.166027 hours remaining, 207.777344 MB of memory in use. ENERGY: 4795200 761.4937 2129.0534 1965.3961 106.2578 -206024.2887 17689.7924 0.0000 0.0000 34000.8428 -149371.4524 296.9378 -183372.2952 -149279.3135 299.2926 -132.3384 -101.1118 557203.0037 11.3593 11.3489 PRESSURE: 4795400 -198.962 -23.9815 -80.6661 -23.982 -128.305 -81.482 -80.6662 -81.482 -90.5007 GPRESSURE: 4795400 -203.436 -1.13455 -71.9791 -55.1925 -114.943 -7.7253 -91.112 -125.497 -0.480604 PRESSAVG: 4795400 -19.0072 34.1402 2.71928 34.1402 -20.9243 -30.2074 2.71924 -30.2075 39.3912 GPRESSAVG: 4795400 -17.3687 36.4555 1.21536 32.6884 -21.9311 -31.9472 4.70576 -30.2957 38.6752 TIMING: 4795400 CPU: 13935.4, 0.002908/step Wall: 13935.4, 0.002908/step, 0.165271 hours remaining, 207.777344 MB of memory in use. ENERGY: 4795400 732.1212 2115.2052 1952.7132 116.4675 -206069.9390 17658.0746 0.0000 0.0000 34115.5170 -149379.8404 297.9393 -183495.3574 -149286.4726 298.8569 -139.2558 -106.2866 558026.5785 -0.1801 -0.2082 PRESSURE: 4795600 -33.059 82.3277 -195.237 82.3265 10.845 -117.417 -195.236 -117.418 54.4744 GPRESSURE: 4795600 -7.1194 53.3636 -62.2009 58.8834 0.83679 -140.647 -138.377 -100.754 146.08 PRESSAVG: 4795600 16.3454 20.2056 -0.228269 20.2057 -22.2666 14.5646 -0.228235 14.5645 27.7312 GPRESSAVG: 4795600 16.2084 18.7068 0.297728 20.556 -22.0298 14.2529 1.05459 15.524 28.0339 TIMING: 4795600 CPU: 13936, 0.002908/step Wall: 13936, 0.002908/step, 0.16511 hours remaining, 207.777344 MB of memory in use. ENERGY: 4795600 768.5500 2127.5164 1940.1717 120.8212 -206621.1768 17944.4421 0.0000 0.0000 34135.4749 -149584.2006 298.1136 -183719.6754 -149491.2674 298.1527 10.7535 46.5991 556230.4078 7.2700 7.4042 PRESSURE: 4795800 -90.4986 111.218 107.66 111.218 53.4241 87.0519 107.66 87.0519 -38.6033 GPRESSURE: 4795800 -38.9669 137.271 55.495 56.5406 58.5648 101.198 104.041 132.454 -3.15243 PRESSAVG: 4795800 3.15997 56.9281 31.3681 56.928 29.521 33.7063 31.3682 33.7063 -27.9355 GPRESSAVG: 4795800 2.00194 56.3821 31.983 58.0059 30.7304 35.8111 28.3343 31.2828 -28.1688 TIMING: 4795800 CPU: 13936.6, 0.00293676/step Wall: 13936.6, 0.00293676/step, 0.166579 hours remaining, 208.019531 MB of memory in use. ENERGY: 4795800 723.1420 2133.2567 1924.6959 94.3204 -206670.8081 17918.6382 0.0000 0.0000 34175.1498 -149701.6051 298.4601 -183876.7549 -149610.7662 298.8211 -25.2259 5.4818 557653.3243 1.5818 1.5212 PRESSURE: 4796000 -14.0055 -64.0634 32.7845 -64.0633 316.779 -138.905 32.784 -138.905 -166.867 GPRESSURE: 4796000 35.5037 -65.1614 -63.302 41.6315 298.048 -94.2267 56.2713 -118.91 -97.5014 PRESSAVG: 4796000 -6.0047 -23.5533 12.9653 -23.5533 91.5507 11.851 12.9652 11.8508 -75.0669 GPRESSAVG: 4796000 -4.31598 -22.8686 13.6924 -24.4803 90.2156 10.1319 13.9931 12.8335 -75.2713 TIMING: 4796000 CPU: 13937.2, 0.00292811/step Wall: 13937.2, 0.00292811/step, 0.165926 hours remaining, 208.019531 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: 4796000 706.0743 2125.3460 1948.1625 108.2830 -206507.7783 17909.1669 0.0000 0.0000 33990.7486 -149719.9971 296.8497 -183710.7457 -149625.0135 297.8868 45.3025 78.6834 557589.0943 3.4930 3.5428 PRESSURE: 4796200 103.656 202.451 -19.5432 202.451 -77.8441 -178.643 -19.5433 -178.644 -17.7531 GPRESSURE: 4796200 104.575 174.994 -5.68342 165.658 20.9559 -203.168 -79.8866 -158.885 -31.3203 PRESSAVG: 4796200 32.8219 29.9872 -52.5583 29.9872 24.2893 -19.7724 -52.5583 -19.7723 -32.062 GPRESSAVG: 4796200 31.4007 30.477 -54.4603 27.9139 24.8972 -21.4794 -51.1083 -16.5856 -31.9949 TIMING: 4796200 CPU: 13937.8, 0.00293563/step Wall: 13937.8, 0.00293563/step, 0.166189 hours remaining, 208.019531 MB of memory in use. ENERGY: 4796200 764.1864 2039.0193 1951.8045 108.7517 -206340.4610 17912.6619 0.0000 0.0000 34089.5358 -149474.5015 297.7124 -183564.0372 -149376.8440 297.7249 2.6863 31.4034 557469.0199 8.3497 8.1010 LDB: ============= START OF LOAD BALANCING ============== 13941.2 LDB: ============== END OF LOAD BALANCING =============== 13941.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13941.2 LDB: ============= START OF LOAD BALANCING ============== 13941.5 LDB: Largest compute 4848 load 0.029898 is 25.4% of average load 0.117841 LDB: Average compute 0.001725 is 1.5% of average load 0.117841 LDB: TIME 13941.5 LOAD: AVG 0.117841 MAX 0.187048 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 13941.5 LOAD: AVG 0.117841 MAX 0.187048 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 13941.5 LOAD: AVG 0.117841 MAX 0.187048 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13941.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13941.5 PRESSURE: 4796400 193.823 132.891 -76.6683 132.891 253.923 168.759 -76.6673 168.758 100.875 GPRESSURE: 4796400 264.162 162.3 -56.7535 48.3827 295.867 66.2263 -73.0309 271.064 78.7467 PRESSAVG: 4796400 -49.1639 70.5267 38.6726 70.5266 37.121 -15.7907 38.6726 -15.7906 34.44 GPRESSAVG: 4796400 -49.9271 69.6063 42.7536 71.6347 37.6918 -14.7057 36.0088 -18.4115 34.7087 TIMING: 4796400 CPU: 13938.4, 0.00298476/step Wall: 13938.4, 0.00298476/step, 0.168805 hours remaining, 208.441406 MB of memory in use. ENERGY: 4796400 737.8666 2051.8742 1948.7494 120.8781 -206783.8819 18115.6900 0.0000 0.0000 34202.7345 -149606.0891 298.7010 -183808.8236 -149504.9936 298.0992 182.8737 212.9254 557491.8742 7.4657 7.4911 PRESSURE: 4796600 131.415 123.567 72.7565 123.567 -294.231 -101.254 72.7556 -101.253 86.1444 GPRESSURE: 4796600 171.136 68.7031 60.3447 162.875 -244.16 -136.61 42.7719 -53.4434 83.3476 PRESSAVG: 4796600 -82.5194 21.2434 20.3458 21.2433 30.1431 24.8743 20.3457 24.8743 41.2472 GPRESSAVG: 4796600 -82.6813 21.7764 16.5364 20.3883 30.0802 26.8309 22.704 25.2961 41.401 TIMING: 4796600 CPU: 13939, 0.00293697/step Wall: 13939, 0.00293697/step, 0.165939 hours remaining, 208.511719 MB of memory in use. ENERGY: 4796600 788.4359 2024.1048 1942.9323 108.3315 -206320.3511 17866.5068 0.0000 0.0000 33947.6016 -149642.4382 296.4728 -183590.0398 -149545.9281 298.0135 -25.5572 3.4413 557676.0051 -3.7097 -3.7334 PRESSURE: 4796800 282.643 170.572 103.36 170.573 4.27551 -55.6099 103.361 -55.6104 23.7261 GPRESSURE: 4796800 291.142 177.413 239.685 96.8808 38.0597 2.91878 33.6268 -56.4064 76.658 PRESSAVG: 4796800 4.40797 37.2664 27.999 37.2664 -40.55 -40.1084 27.999 -40.1084 48.9948 GPRESSAVG: 4796800 6.1299 34.6582 28.4229 40.9524 -42.7366 -42.2598 28.8509 -39.5788 49.0109 TIMING: 4796800 CPU: 13939.5, 0.00295607/step Wall: 13939.5, 0.00295607/step, 0.166854 hours remaining, 208.511719 MB of memory in use. ENERGY: 4796800 756.6017 2090.2984 1946.2732 131.1298 -206740.5146 18083.5507 0.0000 0.0000 34181.5915 -149551.0693 298.5163 -183732.6608 -149457.1432 298.6072 103.5483 135.2867 556084.8098 4.2842 4.1347 PRESSURE: 4797000 -111.007 7.52291 190.514 7.52223 81.2687 230.803 190.515 230.803 97.8011 GPRESSURE: 4797000 -59.3207 11.6585 201.062 16.0182 77.7235 156.025 179.743 212.485 148.158 PRESSAVG: 4797000 2.56643 -1.11684 -12.3765 -1.11673 -57.4581 38.7363 -12.3765 38.7363 60.5834 GPRESSAVG: 4797000 2.91945 -0.260186 -11.8192 -1.75444 -55.3757 41.0112 -12.9838 39.4128 58.3213 TIMING: 4797000 CPU: 13940.1, 0.00292188/step Wall: 13940.1, 0.00292188/step, 0.164762 hours remaining, 208.511719 MB of memory in use. ENERGY: 4797000 736.1458 2093.0067 1973.4805 127.6864 -206731.1346 17917.0574 0.0000 0.0000 34334.5693 -149549.1885 299.8523 -183883.7578 -149451.1829 299.0016 22.6876 55.5201 556102.4440 1.8973 1.9550 PRESSURE: 4797200 160.981 9.45071 -216.026 9.44991 -201.055 -8.84482 -216.026 -8.8452 38.4177 GPRESSURE: 4797200 185.495 84.807 -143.338 -35.1998 -244.939 -25.1322 -216.764 -56.1104 147.128 PRESSAVG: 4797200 -23.3117 1.55368 -10.7661 1.55374 -22.3302 55.8054 -10.7661 55.8053 64.7699 GPRESSAVG: 4797200 -24.8941 3.41852 -11.9871 0.66072 -22.4837 53.8361 -9.76338 55.877 66.3934 TIMING: 4797200 CPU: 13940.7, 0.00291543/step Wall: 13940.7, 0.00291543/step, 0.164236 hours remaining, 208.511719 MB of memory in use. ENERGY: 4797200 738.7135 2074.4013 1955.0542 104.9467 -206588.2741 18110.0697 0.0000 0.0000 34014.2269 -149590.8618 297.0547 -183605.0887 -149501.2662 298.1676 -0.5519 29.2279 558423.9191 6.3760 6.3385 PRESSURE: 4797400 104.643 66.9222 19.8212 66.9241 -113.029 70.1808 19.8206 70.1811 -15.6458 GPRESSURE: 4797400 139.813 72.3882 -62.7003 20.2426 -93.152 59.5863 68.3034 83.6702 27.835 PRESSAVG: 4797400 45.3373 -15.6252 -35.1398 -15.6252 -31.5033 -2.51315 -35.1398 -2.51312 -1.90972 GPRESSAVG: 4797400 46.0429 -16.6339 -33.5835 -15.9642 -32.714 -0.914231 -35.2811 -2.59838 -1.74782 TIMING: 4797400 CPU: 13941.3, 0.00292578/step Wall: 13941.3, 0.00292578/step, 0.164657 hours remaining, 208.511719 MB of memory in use. ENERGY: 4797400 780.3652 2064.4527 1947.3017 121.4060 -206468.5065 17912.6063 0.0000 0.0000 34313.3048 -149329.0697 299.6666 -183642.3746 -149239.9523 298.8630 -8.0105 24.8320 558383.9637 3.9747 3.8603 PRESSURE: 4797600 -51.9876 66.4941 -32.8768 66.4956 39.8293 -65.8699 -32.8783 -65.8701 -61.7667 GPRESSURE: 4797600 9.03108 -12.1056 12.9559 111.657 58.0164 -83.41 -74.6862 62.7666 -40.2339 PRESSAVG: 4797600 -49.8356 -20.7332 -9.47434 -20.7333 22.3776 29.3848 -9.47432 29.3848 12.9074 GPRESSAVG: 4797600 -50.4714 -20.7858 -10.8511 -22.6849 23.2122 28.981 -9.19276 28.1745 13.2728 TIMING: 4797600 CPU: 13941.9, 0.0029331/step Wall: 13941.9, 0.0029331/step, 0.164905 hours remaining, 208.511719 MB of memory in use. ENERGY: 4797600 777.3075 2051.3736 1958.6096 99.9237 -206546.1262 17866.1200 0.0000 0.0000 34398.3150 -149394.4768 300.4090 -183792.7919 -149298.5538 299.0105 -24.6417 8.9378 557047.6183 -4.8502 -4.6621 PRESSURE: 4797800 -38.2389 -82.4128 -31.2258 -82.4129 -86.6496 -72.7475 -31.2266 -72.7479 76.4352 GPRESSURE: 4797800 -2.42708 -101.242 -109.469 -160.651 -55.8341 -79.9902 -47.4883 -122.374 110.978 PRESSAVG: 4797800 12.9 -45.1263 2.65216 -45.1263 20.6407 15.6153 2.65217 15.6153 -11.8393 GPRESSAVG: 4797800 14.053 -45.6037 2.54726 -41.6472 20.8007 18.7926 1.59547 14.2652 -12.5564 TIMING: 4797800 CPU: 13942.5, 0.00290617/step Wall: 13942.5, 0.00290617/step, 0.16323 hours remaining, 208.511719 MB of memory in use. ENERGY: 4797800 769.3116 2099.5384 1933.6431 99.5893 -206541.2245 17942.0502 0.0000 0.0000 34209.7563 -149487.3356 298.7623 -183697.0919 -149390.7977 298.7981 -16.1511 17.5724 557489.2986 7.2338 7.4324 PRESSURE: 4798000 -100.372 -36.4114 104.753 -36.4118 115.861 -88.5288 104.752 -88.529 -53.0768 GPRESSURE: 4798000 -64.6184 -104.773 -7.13382 54.6193 119.894 -90.3903 166.433 -21.9236 4.52593 PRESSAVG: 4798000 9.51387 -42.3357 4.14836 -42.3358 23.3035 47.3343 4.14848 47.3343 -19.1321 GPRESSAVG: 4798000 8.96086 -42.9804 8.54926 -44.2101 23.1579 44.3275 2.58903 50.3074 -18.9404 TIMING: 4798000 CPU: 13943.1, 0.00293826/step Wall: 13943.1, 0.00293826/step, 0.164869 hours remaining, 208.511719 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: 4798000 761.0300 2055.2185 1947.1035 96.8124 -206125.3051 17755.0106 0.0000 0.0000 34143.1114 -149367.0187 298.1803 -183510.1301 -149274.6856 298.8625 -12.5294 19.9340 558275.2248 4.5617 4.3928 PRESSURE: 4798200 -21.7367 29.26 -124.185 29.2596 -86.6261 3.4823 -124.185 3.48233 -213.856 GPRESSURE: 4798200 -36.3502 79.4072 -118.224 0.900055 -69.7543 10.5446 -6.04787 -32.0888 -109.174 PRESSAVG: 4798200 -30.6129 -59.461 27.4125 -59.461 78.2987 -3.15416 27.4125 -3.15426 -14.986 GPRESSAVG: 4798200 -30.1017 -57.1039 24.4067 -59.1449 78.0916 -0.160095 29.7906 -4.54611 -15.418 TIMING: 4798200 CPU: 13943.6, 0.00292355/step Wall: 13943.6, 0.00292356/step, 0.163882 hours remaining, 208.511719 MB of memory in use. ENERGY: 4798200 745.0272 2137.9458 1975.0868 106.5142 -206654.6097 17940.2719 0.0000 0.0000 34401.9015 -149347.8623 300.4404 -183749.7638 -149251.2461 298.8467 -107.4063 -71.7594 558939.6629 10.8999 10.8573 PRESSURE: 4798400 -37.7029 -142.068 104.349 -142.067 11.5427 -85.9428 104.35 -85.9443 93.1347 GPRESSURE: 4798400 45.9998 -206.026 143.451 -95.6514 8.76277 -133.41 84.841 -13.41 104.37 PRESSAVG: 4798400 -4.37781 -20.0668 32.1766 -20.0669 -8.4789 1.34225 32.1767 1.3422 23.5587 GPRESSAVG: 4798400 -4.89897 -18.7512 32.5821 -21.0091 -8.70925 -0.482313 31.2938 2.36809 24.3367 TIMING: 4798400 CPU: 13944.2, 0.00290829/step Wall: 13944.2, 0.00290829/step, 0.162864 hours remaining, 208.511719 MB of memory in use. ENERGY: 4798400 730.8298 2129.2507 1950.1382 107.0672 -206337.3874 17774.9360 0.0000 0.0000 34214.3479 -149430.8176 298.8024 -183645.1655 -149334.3399 298.9267 22.3248 53.0442 556929.4772 3.5673 3.5762 PRESSURE: 4798600 -453.65 -19.5789 33.7843 -19.5782 -124.472 12.249 33.7855 12.2482 -107.967 GPRESSURE: 4798600 -398.786 -14.3029 -17.0155 -4.78827 -171.623 129.645 117.034 30.8283 -21.2068 PRESSAVG: 4798600 -44.9221 -10.8485 28.4013 -10.8486 38.7355 -32.4366 28.4013 -32.4366 18.1899 GPRESSAVG: 4798600 -45.023 -12.3652 29.6406 -10.6745 37.7129 -33.5932 28.9962 -30.9927 19.5934 TIMING: 4798600 CPU: 13944.8, 0.00289788/step Wall: 13944.8, 0.00289788/step, 0.16212 hours remaining, 208.511719 MB of memory in use. ENERGY: 4798600 756.4074 2058.0970 1970.5000 115.1811 -206050.5481 17555.0020 0.0000 0.0000 34195.4923 -149399.8684 298.6377 -183595.3606 -149298.0099 298.6044 -228.6966 -197.2055 558406.2317 4.0011 4.0944 PRESSURE: 4798800 -248.434 9.29321 -22.3938 9.29248 -181.28 -193.443 -22.3937 -193.442 -113.771 GPRESSURE: 4798800 -140.579 -17.3217 25.3638 0.980038 -232.193 -205.714 -31.4827 -150.732 -76.1213 PRESSAVG: 4798800 -32.4934 -7.78566 9.53204 -7.78555 9.41722 -38.0461 9.53211 -38.0461 -16.023 GPRESSAVG: 4798800 -32.46 -7.35716 8.63386 -6.69861 10.5448 -37.1897 8.60738 -39.2874 -17.3761 TIMING: 4798800 CPU: 13945.4, 0.00292021/step Wall: 13945.4, 0.0029202/step, 0.163207 hours remaining, 208.511719 MB of memory in use. ENERGY: 4798800 745.3303 2105.0213 1968.1483 120.4755 -205964.3546 17391.9531 0.0000 0.0000 34261.6630 -149371.7632 299.2156 -183633.4262 -149280.7689 298.2701 -181.1616 -149.6314 557158.1398 -13.0330 -13.0971 PRESSURE: 4799000 109.582 -62.6371 -164.633 -62.6377 -26.0734 -100.669 -164.634 -100.67 -32.5464 GPRESSURE: 4799000 58.5865 -81.6897 -91.3503 22.2533 45.7205 -108.35 -150.284 -62.967 54.0813 PRESSAVG: 4799000 -2.41801 30.9357 -42.1399 30.9356 13.6072 -18.2205 -42.14 -18.2205 18.7513 GPRESSAVG: 4799000 -2.00202 28.5259 -40.1975 32.0926 12.9409 -18.4344 -42.4886 -16.505 19.3657 TIMING: 4799000 CPU: 13946, 0.00290292/step Wall: 13946, 0.00290292/step, 0.16208 hours remaining, 208.511719 MB of memory in use. ENERGY: 4799000 733.0274 2092.1328 1973.6006 111.6866 -206852.1284 18031.7507 0.0000 0.0000 34367.3613 -149542.5691 300.1387 -183909.9304 -149449.8795 298.9684 16.9873 52.7961 555571.8130 9.9802 10.1015 PRESSURE: 4799200 100.159 -143.426 -144.856 -143.427 226.397 -182.369 -144.855 -182.371 105.036 GPRESSURE: 4799200 146.31 -90.6434 -77.8418 -197.198 227.319 -203.827 -223.259 -131.245 150.646 PRESSAVG: 4799200 -2.41292 24.9113 -59.7561 24.9113 57.2871 -48.5802 -59.7563 -48.5801 -45.2811 GPRESSAVG: 4799200 -3.75558 26.5369 -60.1967 24.6502 57.4237 -47.7681 -58.8351 -49.5157 -43.9501 TIMING: 4799200 CPU: 13946.5, 0.00290639/step Wall: 13946.5, 0.00290639/step, 0.162112 hours remaining, 208.511719 MB of memory in use. ENERGY: 4799200 721.3471 2102.2357 1952.2657 114.0468 -206722.1354 18085.4630 0.0000 0.0000 34236.4285 -149510.3487 298.9952 -183746.7771 -149413.7601 298.6563 143.8640 174.7585 556162.0390 3.1977 3.2393 PRESSURE: 4799400 -109.736 -98.4789 -110.019 -98.4787 -120.809 -11.8715 -110.02 -11.8731 -350.402 GPRESSURE: 4799400 -81.0149 -140.924 -187.012 -163.767 -116.783 -0.334316 -144.156 -33.3608 -299.189 PRESSAVG: 4799400 3.39513 -27.6767 -29.9782 -27.6766 -27.8669 -45.5229 -29.9782 -45.523 -19.6954 GPRESSAVG: 4799400 4.48691 -27.2068 -31.7737 -30.3429 -27.7934 -47.457 -30.3816 -45.193 -21.7484 TIMING: 4799400 CPU: 13947.1, 0.00291525/step Wall: 13947.1, 0.00291525/step, 0.162444 hours remaining, 208.511719 MB of memory in use. ENERGY: 4799400 740.7442 2088.0992 1949.6363 116.5760 -206174.8850 17796.4836 0.0000 0.0000 34092.7589 -149390.5868 297.7405 -183483.3457 -149296.5707 298.6151 -193.6491 -165.6624 559528.2474 -14.7224 -15.0183 PRESSURE: 4799600 -34.3188 97.92 -8.29659 97.919 -4.84086 -74.1791 -8.2965 -74.1764 -63.8717 GPRESSURE: 4799600 -14.2282 100.064 35.2138 61.9631 -23.6375 -30.3087 -111.181 -58.7625 28.5444 PRESSAVG: 4799600 5.72009 -1.38741 -35.9996 -1.3874 -21.5571 -23.1102 -35.9995 -23.1102 27.2515 GPRESSAVG: 4799600 4.08901 -3.05921 -34.8634 1.62457 -21.5382 -21.9044 -35.3882 -22.0247 28.5193 TIMING: 4799600 CPU: 13947.7, 0.00292792/step Wall: 13947.7, 0.00292792/step, 0.162987 hours remaining, 208.511719 MB of memory in use. ENERGY: 4799600 731.7535 2085.2649 1937.6182 109.4063 -206428.2599 17801.6718 0.0000 0.0000 34168.7440 -149593.8012 298.4041 -183762.5452 -149502.9631 298.2512 -34.3438 -3.1071 558768.2285 3.8049 3.6900 PRESSURE: 4799800 48.5585 92.5807 93.0833 92.5802 -292.817 39.6928 93.085 39.6932 54.4857 GPRESSURE: 4799800 68.9185 108.645 113.889 19.8129 -242.277 48.246 93.5613 13.8703 74.0814 PRESSAVG: 4799800 20.3094 41.8622 -0.334417 41.8621 -86.547 -22.0466 -0.334411 -22.0467 53.8149 GPRESSAVG: 4799800 21.4448 42.8381 0.128967 40.8729 -87.3284 -21.8782 -1.1615 -24.063 53.2909 TIMING: 4799800 CPU: 13948.3, 0.00291661/step Wall: 13948.3, 0.00291661/step, 0.162196 hours remaining, 208.511719 MB of memory in use. ENERGY: 4799800 746.7787 2111.4159 1996.1158 117.9973 -206298.6884 17736.8079 0.0000 0.0000 34118.6156 -149470.9570 297.9664 -183589.5727 -149370.1643 298.3043 -63.2577 -33.0924 557588.5330 -4.1409 -4.1975 PRESSURE: 4800000 300.347 133.868 -151.585 133.869 17.5137 15.0331 -151.585 15.0316 270.81 GPRESSURE: 4800000 346.467 52.2159 -122.394 98.7317 44.3754 -50.5854 -221.374 121.183 285.784 PRESSAVG: 4800000 -16.0122 11.6812 -23.4758 11.6812 -42.6046 19.4135 -23.4758 19.4137 47.4248 GPRESSAVG: 4800000 -15.0321 11.6514 -22.34 12.9132 -43.2712 18.6314 -24.6984 21.1403 47.328 TIMING: 4800000 CPU: 13948.9, 0.00293861/step Wall: 13948.9, 0.00293861/step, 0.163256 hours remaining, 208.511719 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: 4800000 699.7775 2086.8262 1942.8296 104.5580 -206699.9458 18038.3463 0.0000 0.0000 34358.3944 -149469.2138 300.0604 -183827.6082 -149371.5694 298.4826 196.2236 225.5421 555563.4300 -3.7307 -3.6584 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.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 29.0003 122.744 27.3262 122.744 -45.8844 -174.141 27.3281 -174.141 102.703 GPRESSURE: 4800200 79.3359 124.54 47.5798 54.3234 -21.4224 -229.101 38.1857 -103.459 123.314 PRESSAVG: 4800200 -52.1024 14.4981 -7.05226 14.498 -52.8537 11.0762 -7.05222 11.0762 50.1608 GPRESSAVG: 4800200 -53.0757 14.4086 -9.25569 13.3234 -52.5974 13.1976 -7.01875 9.47376 50.6135 TIMING: 4800200 CPU: 13949.5, 0.003012/step Wall: 13949.5, 0.003012/step, 0.167166 hours remaining, 208.636719 MB of memory in use. ENERGY: 4800200 762.3287 2008.9424 1958.7621 111.4186 -206673.9202 17941.7869 0.0000 0.0000 34310.7375 -149579.9440 299.6442 -183890.6814 -149478.5541 298.5143 28.6062 60.4092 555205.2524 -18.2651 -18.3532 LDB: ============= START OF LOAD BALANCING ============== 13953 LDB: ============== END OF LOAD BALANCING =============== 13953 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13953 LDB: ============= START OF LOAD BALANCING ============== 13953.2 LDB: Largest compute 4848 load 0.030423 is 25.8% of average load 0.117881 LDB: Average compute 0.001729 is 1.5% of average load 0.117881 LDB: TIME 13953.3 LOAD: AVG 0.117881 MAX 0.185126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.891 MB LDB: TIME 13953.3 LOAD: AVG 0.117881 MAX 0.185126 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.938 MB LDB: TIME 13953.3 LOAD: AVG 0.117881 MAX 0.185126 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.938 MB LDB: ============== END OF LOAD BALANCING =============== 13953.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13953.3 PRESSURE: 4800400 132.877 41.9386 -208.254 41.9395 129.476 55.8397 -208.253 55.8399 -234.801 GPRESSURE: 4800400 99.0371 -6.70021 -203.159 122.224 243.597 106.438 -226.786 74.6111 -223.244 PRESSAVG: 4800400 -42.1016 36.1972 11.3601 36.1971 -41.5251 1.05011 11.3601 1.0502 66.3233 GPRESSAVG: 4800400 -41.7476 35.9083 10.9945 36.9755 -41.0821 -1.24642 15.2583 2.06669 65.7388 TIMING: 4800400 CPU: 13950.1, 0.00298595/step Wall: 13950.1, 0.00298595/step, 0.165555 hours remaining, 207.539062 MB of memory in use. ENERGY: 4800400 780.9901 2096.2847 1994.7969 114.1903 -206567.1381 17978.0209 0.0000 0.0000 34073.0351 -149529.8202 297.5683 -183602.8553 -149436.8508 298.8021 9.1841 39.7968 556514.1593 -5.7678 -5.6969 PRESSURE: 4800600 -246.028 -3.2822 -22.1724 -3.28307 -210.159 -94.5195 -22.1717 -94.5204 -56.2644 GPRESSURE: 4800600 -255.78 35.1244 0.780257 -42.0582 -169.059 -123.196 -82.5317 9.75197 5.92047 PRESSAVG: 4800600 20.3439 -2.86586 -22.6852 -2.86584 -13.769 51.3836 -22.6852 51.3835 2.68098 GPRESSAVG: 4800600 21.1066 -5.63122 -22.0081 -3.66059 -14.5221 51.6414 -23.8576 49.3391 2.16599 TIMING: 4800600 CPU: 13950.7, 0.00291892/step Wall: 13950.7, 0.00291892/step, 0.161676 hours remaining, 207.539062 MB of memory in use. ENERGY: 4800600 757.3136 2084.0110 1971.1672 111.7266 -206189.4775 17519.1948 0.0000 0.0000 34115.8647 -149630.1996 297.9423 -183746.0642 -149530.8531 298.6773 -170.8173 -139.6397 557243.1331 3.0853 2.9168 PRESSURE: 4800800 -41.4202 54.9773 101.895 54.9781 -15.826 102.517 101.894 102.519 -71.1385 GPRESSURE: 4800800 -17.5747 14.2105 109.328 56.2558 67.2932 131.102 53.1624 100.922 -100.175 PRESSAVG: 4800800 -38.4122 -52.5355 -18.4933 -52.5355 -19.8571 6.92141 -18.4934 6.92143 68.3835 GPRESSAVG: 4800800 -37.9265 -50.8582 -17.3957 -51.9798 -20.2547 7.73788 -19.4328 10.0093 68.2474 TIMING: 4800800 CPU: 13951.2, 0.00290247/step Wall: 13951.2, 0.00290247/step, 0.160603 hours remaining, 207.558594 MB of memory in use. ENERGY: 4800800 765.1821 2062.1050 1988.3428 121.9150 -206764.7410 17992.7834 0.0000 0.0000 34176.1583 -149658.2544 298.4689 -183834.4127 -149558.3335 298.4340 -42.7949 -16.8190 556536.0046 3.3714 3.3554 PRESSURE: 4801000 5.95714 -23.6613 39.6357 -23.6612 -196.754 132.434 39.6348 132.435 89.7797 GPRESSURE: 4801000 -67.9591 21.4868 -96.2624 -22.6021 -147.277 176.21 78.2968 121.534 208.814 PRESSAVG: 4801000 -52.3606 -27.7908 33.0875 -27.7909 40.3361 -11.7717 33.0876 -11.7717 12.3858 GPRESSAVG: 4801000 -53.0613 -27.717 32.4194 -27.176 40.3041 -11.8384 31.7336 -11.6267 13.4291 TIMING: 4801000 CPU: 13951.8, 0.00291566/step Wall: 13951.8, 0.00291566/step, 0.161171 hours remaining, 207.558594 MB of memory in use. ENERGY: 4801000 750.4203 2050.3976 1991.5074 115.6600 -206666.5163 17903.3330 0.0000 0.0000 34333.2888 -149521.9092 299.8412 -183855.1980 -149428.2033 297.9541 -33.6723 -2.1409 556406.8050 0.1204 0.2240 PRESSURE: 4801200 141.978 -13.5411 10.9588 -13.5418 17.4734 104.884 10.9575 104.882 40.9048 GPRESSURE: 4801200 154.32 35.4573 -42.4004 -39.5506 17.0603 64.1571 2.65524 150.143 128.129 PRESSAVG: 4801200 8.68678 -0.727753 18.9897 -0.727669 2.75129 35.2436 18.9898 35.2435 8.48302 GPRESSAVG: 4801200 9.21181 1.95625 18.7838 -3.79681 1.46295 34.4217 20.7868 35.0831 9.21955 TIMING: 4801200 CPU: 13952.4, 0.00290446/step Wall: 13952.4, 0.00290446/step, 0.160391 hours remaining, 207.558594 MB of memory in use. ENERGY: 4801200 739.7794 2057.8306 1948.5672 110.7964 -206279.2216 17870.0577 0.0000 0.0000 34062.1947 -149489.9957 297.4736 -183552.1904 -149391.2551 298.6957 66.7855 99.8364 556977.2529 6.6404 6.6314 PRESSURE: 4801400 -350.47 -130.798 59.4816 -130.798 -41.8456 210.485 59.4807 210.483 -139.183 GPRESSURE: 4801400 -275.371 -184.719 9.02612 -129.285 5.53185 137.041 57.0974 242.185 -159.261 PRESSAVG: 4801400 -20.9313 3.84993 -46.7218 3.84994 69.1088 18.2568 -46.7217 18.2568 -26.4886 GPRESSAVG: 4801400 -20.8584 0.107068 -44.8827 6.02302 69.7546 19.6335 -47.5288 17.1232 -27.0663 TIMING: 4801400 CPU: 13953, 0.00292319/step Wall: 13953, 0.00292319/step, 0.161262 hours remaining, 207.558594 MB of memory in use. ENERGY: 4801400 776.0841 2084.5606 2019.5968 113.1140 -206365.5708 17803.7811 0.0000 0.0000 33870.6878 -149697.7464 295.8011 -183568.4342 -149608.6025 298.3523 -177.1662 -143.0334 558710.4760 7.2296 7.2766 PRESSURE: 4801600 -372.656 -143.691 -24.7373 -143.693 -43.5111 102.385 -24.7383 102.383 -52.5507 GPRESSURE: 4801600 -313.66 -153.573 -86.1372 -144.197 -17.0163 155.218 -13.5062 93.9736 -45.048 PRESSAVG: 4801600 35.1389 -24.2604 49.5557 -24.2604 12.8791 1.96127 49.5557 1.96123 -65.1755 GPRESSAVG: 4801600 34.8378 -23.533 46.9426 -24.2889 13.1511 1.65531 50.3729 -0.805926 -65.1871 TIMING: 4801600 CPU: 13953.6, 0.00291267/step Wall: 13953.6, 0.00291267/step, 0.160521 hours remaining, 207.558594 MB of memory in use. ENERGY: 4801600 791.1468 2101.8510 1975.8109 100.5091 -206672.6221 17894.1005 0.0000 0.0000 34176.0484 -149633.1554 298.4679 -183809.2038 -149538.7015 297.9530 -156.2394 -125.2416 559523.5675 -5.7192 -5.7327 PRESSURE: 4801800 -111.325 -90.9706 -72.5293 -90.9713 -79.9721 165.862 -72.5296 165.864 -148.535 GPRESSURE: 4801800 -59.9995 -154.782 -60.7615 -84.3545 -45.4936 127.498 -59.8415 106.423 -149.547 PRESSAVG: 4801800 -46.2643 -26.7091 44.0956 -26.7091 -10.2103 60.2412 44.0956 60.2411 26.6808 GPRESSAVG: 4801800 -45.845 -25.6649 45.3352 -26.9304 -10.0978 60.5485 43.8633 62.6628 26.3639 TIMING: 4801800 CPU: 13954.2, 0.00291349/step Wall: 13954.2, 0.00291349/step, 0.160404 hours remaining, 207.558594 MB of memory in use. ENERGY: 4801800 778.0653 2065.0107 1982.2570 123.3864 -206952.2724 18053.8374 0.0000 0.0000 34231.7218 -149717.9938 298.9541 -183949.7156 -149619.5629 297.2038 -113.2772 -85.0133 559062.5236 -9.9312 -9.8596 PRESSURE: 4802000 120.485 -69.1878 45.2445 -69.1887 341.068 -8.84672 45.2449 -8.8464 -20.4825 GPRESSURE: 4802000 133.681 -28.8846 70.2544 -45.801 330.857 -40.1817 74.2346 -4.93781 63.5158 PRESSAVG: 4802000 37.3052 -10.6726 18.5673 -10.6725 11.8009 3.59481 18.5675 3.59494 -58.6636 GPRESSAVG: 4802000 37.0307 -11.1526 19.4857 -10.4476 10.377 3.35516 18.2388 4.94443 -56.5575 TIMING: 4802000 CPU: 13954.7, 0.00289646/step Wall: 13954.7, 0.00289646/step, 0.159305 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4802000 771.7371 2110.7361 1988.3290 110.0221 -206931.4041 18167.7676 0.0000 0.0000 34132.0785 -149650.7336 298.0839 -183782.8122 -149550.6941 298.4223 147.0235 176.0179 556712.5061 -3.1858 -3.0499 PRESSURE: 4802200 -225.076 26.1556 209.583 26.1567 -186.131 202.185 209.583 202.188 -120.412 GPRESSURE: 4802200 -255.118 20.8778 73.1024 35.396 -109.028 147.237 236.262 156.107 -60.0079 PRESSAVG: 4802200 -24.7971 -46.3113 -38.1185 -46.3113 65.5772 -24.8531 -38.1185 -24.8532 -44.9962 GPRESSAVG: 4802200 -24.8153 -47.2839 -39.9912 -46.7577 66.4896 -25.2449 -37.0217 -26.2707 -45.7148 TIMING: 4802200 CPU: 13955.3, 0.00291962/step Wall: 13955.3, 0.00291962/step, 0.160417 hours remaining, 207.558594 MB of memory in use. ENERGY: 4802200 742.2378 2133.3351 1960.8358 108.3026 -206062.3263 17566.7602 0.0000 0.0000 34073.0239 -149477.8309 297.5682 -183550.8548 -149375.0390 297.9007 -177.2066 -141.3847 557316.5793 -1.4054 -1.3468 PRESSURE: 4802400 -163.099 -220.737 73.4729 -220.737 -347.334 87.7803 73.4733 87.7806 -389.383 GPRESSURE: 4802400 -82.3177 -156.829 2.20586 -144.068 -374.917 109.472 84.3906 99.1416 -343.713 PRESSAVG: 4802400 32.6311 31.4931 32.9306 31.4932 -16.6245 9.43133 32.9306 9.43124 -29.929 GPRESSAVG: 4802400 32.8202 32.7976 33.8734 30.5673 -16.152 7.77305 31.99 10.7796 -30.6214 TIMING: 4802400 CPU: 13955.9, 0.00292915/step Wall: 13955.9, 0.00292915/step, 0.160778 hours remaining, 207.558594 MB of memory in use. ENERGY: 4802400 771.5296 2056.8302 1974.2271 119.8960 -206431.1229 17623.9147 0.0000 0.0000 34105.6039 -149779.1214 297.8527 -183884.7253 -149682.6706 298.2291 -299.9387 -266.9827 557118.8597 -4.6408 -4.6511 PRESSURE: 4802600 153.185 87.2633 106.136 87.2626 235.837 -124.284 106.134 -124.284 -213.517 GPRESSURE: 4802600 185.706 65.3825 128.434 169.231 215.217 -110.547 32.908 -142.299 -132.227 PRESSAVG: 4802600 79.4727 -0.522018 7.14282 -0.52202 12.1404 23.3258 7.14269 23.3259 -78.0542 GPRESSAVG: 4802600 80.3844 -0.709218 7.57937 1.80726 12.2639 25.2461 8.01682 20.9515 -78.9735 TIMING: 4802600 CPU: 13956.5, 0.00294177/step Wall: 13956.5, 0.00294177/step, 0.161307 hours remaining, 207.558594 MB of memory in use. ENERGY: 4802600 747.6659 2092.8011 1961.1083 108.1392 -207001.8593 18087.8732 0.0000 0.0000 34274.1015 -149730.1702 299.3243 -184004.2716 -149629.0421 297.9093 58.5017 89.5652 556038.3171 4.5197 4.5583 PRESSURE: 4802800 120.245 -88.8703 64.8775 -88.8696 -37.431 170.095 64.8781 170.096 269.186 GPRESSURE: 4802800 125.829 -134.225 192.28 -51.7218 -24.9703 153.816 23.8277 145.999 364.886 PRESSAVG: 4802800 69.2417 -30.1184 22.2239 -30.1183 -33.1435 -6.14475 22.2238 -6.14475 -69.7927 GPRESSAVG: 4802800 69.5703 -31.2234 22.5173 -32.7439 -33.8468 -8.17324 22.5652 -5.01424 -69.5161 TIMING: 4802800 CPU: 13957.1, 0.00295414/step Wall: 13957.1, 0.00295414/step, 0.161821 hours remaining, 207.558594 MB of memory in use. ENERGY: 4802800 704.7432 2128.5941 1973.6752 124.3549 -206781.4136 18056.0999 0.0000 0.0000 34191.8266 -149602.1196 298.6057 -183793.9462 -149503.0603 297.9712 117.3331 155.2481 555541.6751 -11.2315 -11.2642 PRESSURE: 4803000 -9.64631 -171.485 -92.3597 -171.485 0.930494 78.7439 -92.359 78.7446 -21.157 GPRESSURE: 4803000 57.9987 -125.528 -128.135 -160.711 25.6561 9.58583 -118.002 173.056 -18.7835 PRESSAVG: 4803000 5.27293 38.6609 24.0458 38.661 0.886089 12.2911 24.0458 12.2912 -2.62684 GPRESSAVG: 4803000 3.45669 36.3315 24.7897 38.6528 2.72775 13.3299 23.5423 12.2694 -3.05203 TIMING: 4803000 CPU: 13957.7, 0.00295063/step Wall: 13957.7, 0.00295063/step, 0.161465 hours remaining, 207.558594 MB of memory in use. ENERGY: 4803000 734.3762 2085.7995 1951.8265 129.8011 -206455.1236 17907.8077 0.0000 0.0000 34116.9542 -149528.5584 297.9518 -183645.5126 -149433.8921 298.0891 -9.9576 21.6237 556823.5862 1.1774 1.0441 PRESSURE: 4803200 203.224 42.9868 178.794 42.9871 95.3435 50.4734 178.794 50.4721 -112.371 GPRESSURE: 4803200 236.806 43.7222 207.497 70.9394 71.3544 2.50774 167.984 36.694 -29.5857 PRESSAVG: 4803200 46.0216 -7.53942 -24.7329 -7.53948 14.1899 26.0267 -24.7329 26.0266 -83.7299 GPRESSAVG: 4803200 45.723 -5.26938 -25.0828 -6.09328 13.8298 28.9577 -26.0199 24.0469 -82.5267 TIMING: 4803200 CPU: 13958.3, 0.00295692/step Wall: 13958.3, 0.00295692/step, 0.161645 hours remaining, 207.558594 MB of memory in use. ENERGY: 4803200 737.7894 2085.6737 1968.0714 111.1284 -206454.8856 18062.2311 0.0000 0.0000 33911.2071 -149578.7845 296.1550 -183489.9917 -149481.6600 297.9994 62.0655 92.8581 556824.9910 -7.8395 -7.6579 PRESSURE: 4803400 -51.5283 -76.9407 7.20749 -76.9398 177.862 43.2081 7.20645 43.2074 -343.927 GPRESSURE: 4803400 23.3749 -96.6201 102.696 13.1339 158.677 31.4524 -70.4524 111.333 -294.748 PRESSAVG: 4803400 11.0954 9.85727 -9.25189 9.85725 15.0361 -5.67605 -9.2519 -5.67609 0.0336795 GPRESSAVG: 4803400 11.3594 7.264 -10.2684 11.4914 15.2293 -8.12172 -7.36682 -1.90245 0.0618736 TIMING: 4803400 CPU: 13958.9, 0.00296734/step Wall: 13958.9, 0.00296734/step, 0.16205 hours remaining, 207.558594 MB of memory in use. ENERGY: 4803400 712.3504 2128.5771 1970.1886 112.6342 -206210.7220 17675.9947 0.0000 0.0000 33932.5060 -149678.4710 296.3410 -183610.9770 -149578.1754 297.5128 -72.5311 -37.5654 557599.1274 8.7217 8.8835 PRESSURE: 4803600 -191.012 9.58065 -2.00404 9.58121 -65.3216 67.2209 -2.00357 67.2205 -31.6567 GPRESSURE: 4803600 -110.326 25.1563 -27.4336 -91.6505 -19.4976 80.636 -87.7798 27.2161 -60.9055 PRESSAVG: 4803600 15.9372 7.24259 -73.9828 7.24263 21.7928 31.0716 -73.9827 31.0717 23.1909 GPRESSAVG: 4803600 16.5281 10.2235 -74.114 4.09279 22.296 31.7386 -74.2892 27.3279 21.4627 TIMING: 4803600 CPU: 13959.4, 0.0029212/step Wall: 13959.4, 0.0029212/step, 0.159368 hours remaining, 207.558594 MB of memory in use. ENERGY: 4803600 757.0974 2109.1973 1983.9692 109.4967 -206811.8940 18037.2640 0.0000 0.0000 34241.9053 -149572.9640 299.0431 -183814.8693 -149477.1177 298.0646 -95.9969 -63.5763 557418.3412 20.3070 20.0956 PRESSURE: 4803800 -253.127 -22.9395 -144.095 -22.9399 -176.14 108.174 -144.097 108.174 244.545 GPRESSURE: 4803800 -181.183 48.7582 -151.191 -12.38 -161.03 101.655 -153.54 121.456 247.377 PRESSAVG: 4803800 3.63847 -16.6724 -100.464 -16.6724 -9.08462 0.430961 -100.464 0.430877 -0.535302 GPRESSAVG: 4803800 2.12049 -16.4054 -100.508 -15.9814 -9.22872 1.79586 -102.772 0.240667 1.14047 TIMING: 4803800 CPU: 13960, 0.00291619/step Wall: 13960, 0.00291619/step, 0.158932 hours remaining, 207.558594 MB of memory in use. ENERGY: 4803800 739.3602 2081.2762 1947.2702 113.4876 -206645.6930 17982.6221 0.0000 0.0000 34241.0031 -149540.6736 299.0352 -183781.6766 -149439.7158 298.6617 -61.5743 -31.6119 557501.9957 -1.9938 -1.9893 PRESSURE: 4804000 60.9739 -48.1545 -22.0641 -48.1554 -94.4251 30.2174 -22.0642 30.2165 -126.733 GPRESSURE: 4804000 156.456 -140.53 -32.1225 24.2477 -84.6602 23.8109 6.49095 -15.2269 -124.434 PRESSAVG: 4804000 42.385 -60.3178 -81.7935 -60.3178 -10.2905 15.2251 -81.7935 15.2251 -1.14824 GPRESSAVG: 4804000 44.2831 -60.5803 -82.8816 -61.2583 -10.8086 15.7069 -79.3539 16.2647 -2.40053 TIMING: 4804000 CPU: 13960.6, 0.00288946/step Wall: 13960.6, 0.00288946/step, 0.157315 hours remaining, 207.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4804000 763.5372 2094.4063 1951.2449 121.4735 -206227.1764 17866.5570 0.0000 0.0000 33888.4889 -149541.4686 295.9566 -183429.9576 -149448.9134 298.1474 -53.3947 -17.5460 557725.9663 10.3154 10.3580 PRESSURE: 4804200 -162.378 64.1595 -108.725 64.1583 -245.951 72.5039 -108.725 72.506 -54.5472 GPRESSURE: 4804200 -130.145 4.01832 -222.529 114.857 -148.023 -4.32797 -82.6909 42.3493 -81.4958 PRESSAVG: 4804200 9.26932 -34.865 -16.0131 -34.8649 -4.08147 -6.01759 -16.0132 -6.01749 -4.78826 GPRESSAVG: 4804200 9.20146 -36.8067 -16.1567 -33.8426 -3.97279 -8.11712 -15.8743 -5.64925 -3.80534 TIMING: 4804200 CPU: 13961.2, 0.0029098/step Wall: 13961.2, 0.0029098/step, 0.158261 hours remaining, 207.558594 MB of memory in use. ENERGY: 4804200 780.0701 2076.8654 1953.1665 112.1508 -206290.8619 17813.7112 0.0000 0.0000 34092.0727 -149462.8252 297.7345 -183554.8978 -149359.8566 297.8642 -154.2919 -119.8879 558131.7008 0.1332 0.4744 LDB: ============= START OF LOAD BALANCING ============== 13964.7 LDB: ============== END OF LOAD BALANCING =============== 13964.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13964.7 LDB: ============= START OF LOAD BALANCING ============== 13965 LDB: Largest compute 4848 load 0.031114 is 26.4% of average load 0.117781 LDB: Average compute 0.001728 is 1.5% of average load 0.117781 LDB: TIME 13965 LOAD: AVG 0.117781 MAX 0.186807 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 13965 LOAD: AVG 0.117781 MAX 0.186807 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: TIME 13965 LOAD: AVG 0.117781 MAX 0.186807 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13965 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13965 PRESSURE: 4804400 103.178 -59.4928 12.6925 -59.4927 -48.3036 114.941 12.6924 114.94 -4.38124 GPRESSURE: 4804400 140.048 -58.6796 79.5034 -11.114 -29.294 136.317 40.9463 94.0077 46.0234 PRESSAVG: 4804400 20.8121 -25.0066 -81.9173 -25.0065 -32.8503 -45.0604 -81.9172 -45.0604 -31.9795 GPRESSAVG: 4804400 20.9822 -21.705 -79.2243 -26.0929 -32.0015 -46.1339 -83.7127 -44.066 -32.7185 TIMING: 4804400 CPU: 13961.8, 0.003008/step Wall: 13961.8, 0.003008/step, 0.163435 hours remaining, 207.636719 MB of memory in use. ENERGY: 4804400 746.2835 2074.8400 1952.3238 115.5177 -206329.0162 17937.8953 0.0000 0.0000 34161.2648 -149340.8912 298.3388 -183502.1559 -149241.6114 298.5239 16.8310 52.2591 558456.4751 -14.6726 -14.5793 PRESSURE: 4804600 -13.9453 39.9402 -138.676 39.9414 -299.269 187.155 -138.675 187.155 -144.263 GPRESSURE: 4804600 17.108 -88.8962 -34.7011 75.1467 -226.43 177.405 -89.3678 128.278 -144.83 PRESSAVG: 4804600 8.86416 7.92784 -25.3439 7.92784 -54.1446 -14.2934 -25.3439 -14.2933 24.5385 GPRESSAVG: 4804600 8.93904 5.8027 -26.6334 8.9446 -54.7952 -12.5939 -25.0332 -15.4325 24.7625 TIMING: 4804600 CPU: 13962.4, 0.00290106/step Wall: 13962.4, 0.00290106/step, 0.157463 hours remaining, 207.839844 MB of memory in use. ENERGY: 4804600 743.8595 2042.5563 1982.8396 120.3638 -206058.7214 17684.5548 0.0000 0.0000 34204.8440 -149279.7033 298.7194 -183484.5473 -149186.2625 298.6007 -152.4927 -118.0509 558133.5478 -6.9140 -7.0312 PRESSURE: 4804800 94.9052 -158.467 -160.181 -158.467 -164.222 38.2438 -160.181 38.2433 -190.712 GPRESSURE: 4804800 81.1125 -210.115 -194.88 -109.961 -116.306 62.2336 -196.737 96.9227 -114.618 PRESSAVG: 4804800 5.48788 0.750837 -52.1294 0.750914 -61.5657 -13.1883 -52.1294 -13.1883 54.1205 GPRESSAVG: 4804800 5.4685 -0.10506 -53.2457 0.956472 -61.7337 -14.677 -51.4129 -13.0105 54.1737 TIMING: 4804800 CPU: 13963, 0.00290654/step Wall: 13963, 0.00290654/step, 0.157599 hours remaining, 207.839844 MB of memory in use. ENERGY: 4804800 775.1729 2065.5826 1967.4641 120.5357 -206357.1754 17945.1551 0.0000 0.0000 34209.3836 -149273.8815 298.7591 -183483.2650 -149181.2081 298.7077 -86.6762 -49.9372 558099.2849 -0.6524 -0.6972 PRESSURE: 4805000 -17.6137 -84.788 306.603 -84.7881 -32.9191 179.736 306.602 179.736 -82.5268 GPRESSURE: 4805000 59.4875 -129.663 339.297 -92.3779 42.5548 112.843 162.668 146.76 -128.502 PRESSAVG: 4805000 -4.51241 61.4202 -20.6899 61.4202 -31.6894 -13.7036 -20.69 -13.7035 -11.9837 GPRESSAVG: 4805000 -5.54869 61.963 -19.2829 63.1556 -30.7347 -11.9836 -22.7136 -14.3399 -12.434 TIMING: 4805000 CPU: 13963.5, 0.00292077/step Wall: 13963.5, 0.00292077/step, 0.158209 hours remaining, 207.839844 MB of memory in use. ENERGY: 4805000 774.6934 2097.1341 1954.1096 107.6314 -205965.2387 17773.5872 0.0000 0.0000 34163.6065 -149094.4765 298.3593 -183258.0830 -148999.1663 298.6688 -44.3532 -8.8198 559042.5184 -16.0618 -16.2391 PRESSURE: 4805200 -39.6004 -11.2932 79.309 -11.2922 -215.812 -137.01 79.3096 -137.01 100.301 GPRESSURE: 4805200 54.5586 -35.4374 127.834 101.359 -199.22 -33.151 68.9243 -138.833 79.1706 PRESSAVG: 4805200 -22.5185 -40.5884 5.65367 -40.5884 -10.2841 12.3244 5.65363 12.3243 1.8844 GPRESSAVG: 4805200 -21.7157 -41.1329 5.08415 -40.1641 -12.0276 11.1289 6.17863 11.512 2.56141 TIMING: 4805200 CPU: 13964.1, 0.00291136/step Wall: 13964.1, 0.00291136/step, 0.157537 hours remaining, 207.839844 MB of memory in use. ENERGY: 4805200 768.6148 2116.0766 1951.6757 104.8419 -205995.0526 17787.8187 0.0000 0.0000 34218.1883 -149047.8366 298.8359 -183266.0249 -148958.4395 299.0624 -51.7038 -21.8304 558687.7328 -10.3060 -10.3940 PRESSURE: 4805400 231.107 -80.031 -40.8916 -80.0316 -58.5003 -42.1199 -40.891 -42.1193 -94.1052 GPRESSURE: 4805400 278.308 -52.3297 -28.935 -136.521 -26.7724 -85.302 -78.2256 -2.96906 -71.6464 PRESSAVG: 4805400 107.389 6.05551 -0.369507 6.05555 -42.0647 -7.2083 -0.369496 -7.20831 -19.9186 GPRESSAVG: 4805400 106.23 7.21739 -0.26898 3.9311 -40.8647 -5.15402 -0.488535 -5.47066 -20.0917 TIMING: 4805400 CPU: 13964.7, 0.00291184/step Wall: 13964.7, 0.00291184/step, 0.157401 hours remaining, 207.839844 MB of memory in use. ENERGY: 4805400 747.3725 2072.8851 1933.4080 102.1064 -206093.8833 17841.9978 0.0000 0.0000 34274.7868 -149121.3268 299.3302 -183396.1136 -149022.5951 299.4010 26.1670 59.9630 557342.4695 15.1354 15.0913 PRESSURE: 4805600 202.214 1.8088 130.099 1.80927 -84.6939 -88.9476 130.099 -88.9464 -90.0591 GPRESSURE: 4805600 177.497 40.276 141.499 90.6633 -2.50266 -161.285 -2.84387 -79.0167 -46.3483 PRESSAVG: 4805600 62.4981 -2.49642 -11.779 -2.49654 -77.5138 -30.5423 -11.779 -30.5422 35.4012 GPRESSAVG: 4805600 61.8887 -1.42588 -11.1337 -3.77663 -76.8972 -32.1568 -11.5698 -31.8863 35.464 TIMING: 4805600 CPU: 13965.3, 0.00294119/step Wall: 13965.3, 0.00294119/step, 0.158824 hours remaining, 207.839844 MB of memory in use. ENERGY: 4805600 724.4024 2127.2876 1976.4252 123.0406 -206212.2462 17875.0197 0.0000 0.0000 34227.0184 -149159.0523 298.9131 -183386.0707 -149064.7796 299.6990 9.1536 42.8819 558462.9153 6.7952 6.8185 PRESSURE: 4805800 -138.708 -59.9375 -0.530134 -59.9393 -119.378 -134.744 -0.53168 -134.745 -25.5 GPRESSURE: 4805800 -143.918 -95.1378 3.14591 -12.7333 -75.8922 -142.504 83.3814 -95.2811 28.9403 PRESSAVG: 4805800 -43.4841 2.68394 -20.8697 2.68389 -103.293 -37.7062 -20.8697 -37.7063 57.5534 GPRESSAVG: 4805800 -43.2211 0.698487 -21.5653 4.14702 -103.307 -37.6804 -20.2497 -38.1745 56.8627 TIMING: 4805800 CPU: 13965.9, 0.00293957/step Wall: 13965.9, 0.00293957/step, 0.158573 hours remaining, 207.839844 MB of memory in use. ENERGY: 4805800 768.0529 2097.0433 1959.1360 120.6831 -205798.6569 17521.2439 0.0000 0.0000 34056.1963 -149276.3015 297.4212 -183332.4978 -149181.8429 298.9367 -94.5286 -63.6231 557850.7773 -29.7413 -29.8886 PRESSURE: 4806000 40.8728 -126.495 -45.1543 -126.496 321.783 -6.75261 -45.154 -6.75309 220.103 GPRESSURE: 4806000 107.495 -151.317 -103.058 -96.6846 350.738 -38.5611 -62.2835 17.8362 219.203 PRESSAVG: 4806000 -42.991 -71.8243 -17.1299 -71.8243 -6.35634 -41.5526 -17.1299 -41.5525 44.2906 GPRESSAVG: 4806000 -43.3171 -71.1698 -16.2397 -72.1731 -7.3413 -41.0339 -16.8615 -41.8712 45.4219 TIMING: 4806000 CPU: 13966.5, 0.00290908/step Wall: 13966.5, 0.00290908/step, 0.156767 hours remaining, 207.839844 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: 4806000 722.6706 2043.9992 1975.0353 110.4084 -206402.0652 17932.8190 0.0000 0.0000 34305.5892 -149311.5435 299.5992 -183617.1327 -149222.3932 299.0579 194.2530 225.8122 556513.1060 -1.6856 -1.7455 PRESSURE: 4806200 48.0949 -73.5827 -232.902 -73.5835 290.646 39.1519 -232.902 39.1513 -85.4871 GPRESSURE: 4806200 76.3331 -33.8389 -151.338 -147.072 295.132 -60.9977 -261.516 56.0765 -23.7566 PRESSAVG: 4806200 29.3273 -59.7113 -61.9163 -59.7113 29.803 0.788334 -61.9163 0.788489 -19.6587 GPRESSAVG: 4806200 30.8475 -58.2426 -63.7499 -59.5323 30.4673 0.873598 -61.2317 2.28653 -21.6035 TIMING: 4806200 CPU: 13967, 0.0029184/step Wall: 13967, 0.0029184/step, 0.157107 hours remaining, 207.839844 MB of memory in use. ENERGY: 4806200 767.8983 2022.7439 1986.8096 121.1418 -207092.4101 18247.4370 0.0000 0.0000 34438.7838 -149507.5958 300.7625 -183946.3796 -149411.0367 298.7265 84.4181 115.9027 556384.7590 13.1572 13.2371 PRESSURE: 4806400 -5.52226 -92.543 -24.1589 -92.5419 -38.5477 -58.7438 -24.1594 -58.7424 -9.71925 GPRESSURE: 4806400 60.348 -116.814 52.0658 -16.526 -40.6987 -78.6846 -61.8517 -121.516 27.5052 PRESSAVG: 4806400 -34.5702 13.4949 -58.4836 13.4949 42.1448 -50.4121 -58.4835 -50.4121 -11.1447 GPRESSAVG: 4806400 -35.7307 12.5125 -56.9813 12.5882 42.8302 -51.9799 -60.5022 -50.7933 -10.1695 TIMING: 4806400 CPU: 13967.6, 0.00290883/step Wall: 13967.6, 0.00290883/step, 0.156431 hours remaining, 207.839844 MB of memory in use. ENERGY: 4806400 738.9877 2127.1682 1960.4324 130.7709 -206337.9034 17709.8542 0.0000 0.0000 34097.8518 -149572.8382 297.7850 -183670.6900 -149479.3157 298.0327 -17.9297 15.7182 557405.1642 -1.1900 -1.0234 PRESSURE: 4806600 -26.7718 39.2239 70.0279 39.2241 -52.2024 -101.724 70.0283 -101.726 -8.69699 GPRESSURE: 4806600 13.8844 92.49 0.544254 25.424 39.5725 -31.3841 135.242 -97.4959 -45.1238 PRESSAVG: 4806600 6.39884 75.9928 -30.4673 75.9928 -52.9537 2.83323 -30.4673 2.83325 26.9324 GPRESSAVG: 4806600 6.59129 77.035 -31.9852 76.9423 -52.7972 2.76934 -28.1425 2.67781 26.0035 TIMING: 4806600 CPU: 13968.2, 0.00291716/step Wall: 13968.2, 0.00291716/step, 0.156716 hours remaining, 207.839844 MB of memory in use. ENERGY: 4806600 769.5290 2043.2451 1965.8854 114.2929 -206832.7459 18034.1358 0.0000 0.0000 34157.9785 -149747.6792 298.3101 -183905.6577 -149659.6127 298.5255 -29.2237 2.7777 557510.3039 -6.5408 -6.7341 PRESSURE: 4806800 99.9675 94.888 -12.7131 94.8882 -144.087 44.285 -12.7132 44.2854 -18.2089 GPRESSURE: 4806800 89.8427 85.2271 68.5412 75.0087 -117.681 79.7824 -46.2247 -4.05549 54.9391 PRESSAVG: 4806800 -0.0562108 34.3348 -5.25589 34.3348 -35.7517 -23.4364 -5.25589 -23.4364 31.803 GPRESSAVG: 4806800 0.326726 32.5118 -5.39602 33.7354 -36.1278 -23.8751 -5.76722 -23.0436 32.0052 TIMING: 4806800 CPU: 13968.8, 0.00293676/step Wall: 13968.8, 0.00293676/step, 0.157606 hours remaining, 207.839844 MB of memory in use. ENERGY: 4806800 713.2606 2096.8552 1920.5541 105.4737 -206618.4813 17839.2619 0.0000 0.0000 34182.1244 -149760.9513 298.5210 -183943.0757 -149664.3817 296.8681 -20.7760 9.0335 557822.1003 -1.3350 -1.2653 PRESSURE: 4807000 -236.786 102.747 -78.9176 102.747 -260.523 32.2968 -78.9184 32.2963 107.199 GPRESSURE: 4807000 -272.697 118.554 -8.71539 75.6641 -198.145 -31.0757 -95.4601 15.6986 167.939 PRESSAVG: 4807000 -23.3048 52.807 -7.5352 52.8069 -29.9593 -9.54689 -7.53515 -9.5469 47.4313 GPRESSAVG: 4807000 -23.2757 53.3966 -6.6987 50.8885 -31.0874 -11.1776 -9.43577 -7.41073 48.1437 TIMING: 4807000 CPU: 13969.4, 0.00292136/step Wall: 13969.4, 0.00292136/step, 0.156618 hours remaining, 207.839844 MB of memory in use. ENERGY: 4807000 754.8444 2084.0851 1945.6149 116.1092 -206711.1436 17919.9888 0.0000 0.0000 34108.6127 -149781.8885 297.8790 -183890.5012 -149690.5406 297.7614 -130.0366 -100.9677 558922.8875 -1.9442 -2.0731 PRESSURE: 4807200 -14.5743 -40.4858 -150.077 -40.4851 -18.6019 -49.4654 -150.077 -49.4645 123.053 GPRESSURE: 4807200 -28.8555 -86.8186 -138.83 -31.0769 18.4725 37.4237 -191.991 -44.0601 189.315 PRESSAVG: 4807200 -23.6668 11.4303 -18.5294 11.4305 51.9666 -37.8387 -18.5294 -37.8388 18.8568 GPRESSAVG: 4807200 -25.6612 11.486 -19.128 13.0539 53.5443 -36.3134 -15.6799 -39.7816 18.6353 TIMING: 4807200 CPU: 13970, 0.00291321/step Wall: 13970, 0.00291321/step, 0.156019 hours remaining, 207.839844 MB of memory in use. ENERGY: 4807200 722.7991 2044.7560 2001.4861 114.0986 -206490.5088 17845.8280 0.0000 0.0000 34155.3809 -149606.1599 298.2874 -183761.5409 -149505.2084 297.8104 29.9589 59.6439 557637.2851 15.7189 15.5061 PRESSURE: 4807400 -224.893 -18.9761 112.276 -18.9763 9.32592 18.1098 112.275 18.1108 25.0853 GPRESSURE: 4807400 -157.353 5.10208 103.123 -66.8622 -4.82718 -20.719 134.289 -22.527 80.6418 PRESSAVG: 4807400 -113.677 8.60667 -34.1543 8.60667 60.6161 -44.0837 -34.1543 -44.0837 34.7374 GPRESSAVG: 4807400 -112.068 9.02668 -31.8067 8.80283 58.5177 -42.2316 -36.3712 -43.8922 34.8788 TIMING: 4807400 CPU: 13970.5, 0.00292902/step Wall: 13970.5, 0.00292903/step, 0.156703 hours remaining, 207.839844 MB of memory in use. ENERGY: 4807400 756.4711 2072.0569 1952.7216 129.7949 -206388.0162 17888.5228 0.0000 0.0000 34072.2870 -149516.1620 297.5618 -183588.4490 -149415.0826 298.2818 -63.4941 -27.1794 557670.8030 -6.1079 -6.2239 PRESSURE: 4807600 -289.238 -21.1624 -41.9726 -21.1618 -356.787 -295.402 -41.9733 -295.4 -240.759 GPRESSURE: 4807600 -225.42 -84.3693 -31.7802 34.4219 -337.052 -366.325 -106.994 -245.927 -213.728 PRESSAVG: 4807600 -4.835 6.66453 7.8718 6.66447 -23.3501 -73.0718 7.87183 -73.0718 40.0289 GPRESSAVG: 4807600 -5.69982 6.6748 7.28392 7.29232 -22.1726 -74.6432 7.21789 -70.0384 39.4273 TIMING: 4807600 CPU: 13971.1, 0.00293525/step Wall: 13971.1, 0.00293525/step, 0.156873 hours remaining, 207.839844 MB of memory in use. ENERGY: 4807600 739.7632 2098.7261 1949.5921 115.4839 -206149.3517 17554.1382 0.0000 0.0000 34148.3430 -149543.3051 298.2260 -183691.6481 -149448.9131 298.4904 -295.5945 -258.7334 559597.3375 3.9479 3.8516 PRESSURE: 4807800 -10.4183 -67.3307 -54.2216 -67.3303 -111.411 -12.2425 -54.2219 -12.244 68.8244 GPRESSURE: 4807800 -11.0843 -73.842 -174.726 -135.791 -59.4511 -46.272 -29.6941 4.55496 116.927 PRESSAVG: 4807800 -24.616 -17.1601 -14.4675 -17.16 -7.75025 -31.5404 -14.4675 -31.5404 45.6733 GPRESSAVG: 4807800 -23.8705 -16.3061 -14.7357 -18.7263 -10.1149 -31.5525 -13.8153 -33.5138 46.6062 TIMING: 4807800 CPU: 13971.7, 0.00291507/step Wall: 13971.7, 0.00291507/step, 0.155633 hours remaining, 207.839844 MB of memory in use. ENERGY: 4807800 760.4897 2049.0804 1942.0166 108.5383 -206344.3293 17924.7830 0.0000 0.0000 34019.7099 -149539.7114 297.1026 -183559.4213 -149443.1181 297.9593 -17.6684 15.4640 557750.8267 4.4357 4.2069 PRESSURE: 4808000 -263.015 166.624 134.67 166.625 15.0752 7.32567 134.669 7.32555 -163.655 GPRESSURE: 4808000 -244.326 131.082 123.768 141.183 22.6427 18.7718 180.105 -1.22412 -87.475 PRESSAVG: 4808000 5.36615 11.3047 -2.72068 11.3047 -20.9243 -19.2468 -2.72061 -19.2468 -11.9985 GPRESSAVG: 4808000 4.06643 10.5189 -2.60401 12.2666 -19.3164 -17.7773 -1.44101 -21.4789 -11.8813 TIMING: 4808000 CPU: 13972.3, 0.00289853/step Wall: 13972.3, 0.00289853/step, 0.154588 hours remaining, 207.839844 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: 4808000 767.8880 2080.8995 1961.1419 113.7118 -206303.1645 17749.2249 0.0000 0.0000 34147.9181 -149482.3802 298.2223 -183630.2983 -149393.4172 297.8659 -137.1984 -103.0528 557899.4536 -9.1855 -9.0438 PRESSURE: 4808200 -117.008 -123.534 109.632 -123.535 -236.43 118.739 109.632 118.741 266.422 GPRESSURE: 4808200 -76.2497 -127.068 168.128 -92.0151 -187.441 103.073 88.101 146.84 265.457 PRESSAVG: 4808200 16.5857 0.101596 45.1226 0.101611 -67.1072 -5.31948 45.1226 -5.31947 32.7521 GPRESSAVG: 4808200 17.9567 -1.11466 43.4904 1.15709 -67.4026 -5.40137 45.2928 -3.27528 31.9291 TIMING: 4808200 CPU: 13972.9, 0.0028975/step Wall: 13972.9, 0.0028975/step, 0.154372 hours remaining, 207.839844 MB of memory in use. ENERGY: 4808200 732.8400 2087.1888 1956.9143 126.4986 -206283.9130 17788.2448 0.0000 0.0000 34234.5743 -149357.6521 298.9791 -183592.2264 -149260.7175 298.8072 -29.0052 0.5888 558859.5811 -5.9231 -5.8389 LDB: ============= START OF LOAD BALANCING ============== 13976.3 LDB: ============== END OF LOAD BALANCING =============== 13976.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13976.3 LDB: ============= START OF LOAD BALANCING ============== 13976.6 LDB: Largest compute 4848 load 0.029193 is 24.8% of average load 0.117807 LDB: Average compute 0.001732 is 1.5% of average load 0.117807 LDB: TIME 13976.6 LOAD: AVG 0.117807 MAX 0.188194 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 13976.6 LOAD: AVG 0.117807 MAX 0.188194 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 13976.6 LOAD: AVG 0.117807 MAX 0.188194 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: ============== END OF LOAD BALANCING =============== 13976.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13976.6 PRESSURE: 4808400 -136.811 132.171 25.3036 132.171 -25.4583 -32.729 25.3036 -32.7269 -103.356 GPRESSURE: 4808400 -98.1953 123.289 118.083 151.68 10.7082 -55.5129 -103.778 -82.4644 -82.2675 PRESSAVG: 4808400 54.4365 -15.0172 -17.7054 -15.0171 -9.30086 6.79722 -17.7055 6.79722 -36.7149 GPRESSAVG: 4808400 54.282 -12.8143 -17.3843 -16.3985 -9.25111 7.33982 -17.697 5.71552 -36.326 TIMING: 4808400 CPU: 13973.5, 0.00296218/step Wall: 13973.5, 0.00296218/step, 0.157654 hours remaining, 207.613281 MB of memory in use. ENERGY: 4808400 772.0486 2028.0260 1940.6097 116.0492 -206092.5697 17861.7187 0.0000 0.0000 34124.2718 -149249.8457 298.0158 -183374.1175 -149162.2731 299.2282 -88.5417 -56.5848 560571.6656 2.8069 2.9016 PRESSURE: 4808600 110.146 -50.6154 86.436 -50.6155 -30.0691 -22.2836 86.4357 -22.2837 -177.146 GPRESSURE: 4808600 83.457 12.6467 138.246 -198.187 -55.3802 3.06617 59.9643 -31.0362 -32.6204 PRESSAVG: 4808600 36.4725 -23.7363 33.1078 -23.7362 -47.6632 67.0602 33.1077 67.0603 -6.80487 GPRESSAVG: 4808600 35.34 -26.0886 33.4394 -22.2209 -46.8296 66.5746 32.68 67.7089 -5.89846 TIMING: 4808600 CPU: 13974.1, 0.00291948/step Wall: 13974.1, 0.00291948/step, 0.155219 hours remaining, 207.703125 MB of memory in use. ENERGY: 4808600 770.5103 1997.3117 1950.5446 120.2072 -206235.9148 17932.7774 0.0000 0.0000 34322.5636 -149142.0000 299.7475 -183464.5636 -149050.1875 299.1705 -32.3563 -1.5146 558247.8900 -5.9985 -5.7960 PRESSURE: 4808800 -120.008 -99.3539 -25.0451 -99.3539 -377.852 97.5259 -25.0447 97.526 75.2878 GPRESSURE: 4808800 -64.3391 -67.7077 -89.9392 -130.871 -360.672 54.7084 -30.1867 143.147 94.8782 PRESSAVG: 4808800 86.101 -51.1909 -43.7301 -51.1908 -77.4868 -44.6711 -43.7301 -44.6712 -21.8509 GPRESSAVG: 4808800 86.9284 -49.0849 -43.9306 -53.5221 -77.2227 -46.5175 -44.49 -45.1145 -22.8811 TIMING: 4808800 CPU: 13974.6, 0.00290388/step Wall: 13974.6, 0.00290388/step, 0.154228 hours remaining, 207.703125 MB of memory in use. ENERGY: 4808800 811.7229 2039.1047 1950.8236 119.2543 -205500.2966 17575.2656 0.0000 0.0000 34073.2612 -148930.8643 297.5703 -183004.1255 -148830.5593 298.9343 -140.8574 -110.0443 558849.5140 -4.4122 -4.3918 PRESSURE: 4809000 163.63 -62.0405 65.7641 -62.0392 -72.4485 -64.0959 65.7638 -64.0971 24.9934 GPRESSURE: 4809000 222.944 24.3966 93.8088 -25.9028 -68.122 -41.6336 45.746 -84.7461 50.525 PRESSAVG: 4809000 -12.2384 -10.3437 -6.73498 -10.3437 -96.81 -26.2523 -6.73488 -26.2524 46.1558 GPRESSAVG: 4809000 -13.1272 -10.29 -5.03818 -9.16482 -95.7678 -24.3674 -5.30651 -28.4543 46.4229 TIMING: 4809000 CPU: 13975.2, 0.00292977/step Wall: 13975.2, 0.00292977/step, 0.155441 hours remaining, 207.703125 MB of memory in use. ENERGY: 4809000 700.3859 2077.7125 1993.6532 116.7615 -206129.8001 17991.3596 0.0000 0.0000 34112.2362 -149137.6913 297.9106 -183249.9275 -149035.1830 299.2708 38.7250 68.4489 558551.8828 -20.9642 -20.8240 PRESSURE: 4809200 47.4948 -21.9541 -82.8265 -21.9551 -152.351 -16.6888 -82.8258 -16.6887 -4.56517 GPRESSURE: 4809200 47.3144 -18.3183 -85.4335 -7.55543 -109.289 65.2116 -59.6174 -39.7283 42.2598 PRESSAVG: 4809200 74.539 23.2804 58.8933 23.2804 -58.9492 -27.5102 58.8933 -27.5102 -2.52323 GPRESSAVG: 4809200 75.3648 22.4935 55.7949 25.6319 -60.4087 -26.6392 60.315 -26.4111 -1.72033 TIMING: 4809200 CPU: 13975.8, 0.00289996/step Wall: 13975.8, 0.00289996/step, 0.153698 hours remaining, 207.703125 MB of memory in use. ENERGY: 4809200 743.2374 2117.2507 1988.4791 123.3061 -206242.6396 17914.8224 0.0000 0.0000 34290.7198 -149064.8239 299.4694 -183355.5437 -148970.7919 299.8069 -36.4737 -6.5716 558265.8460 4.3555 4.4119 PRESSURE: 4809400 -43.7177 61.7679 -204.465 61.7667 -319.797 117.564 -204.465 117.564 -268.026 GPRESSURE: 4809400 15.1496 4.41076 -175.033 101.727 -316.517 53.0449 -176.125 55.5697 -233.546 PRESSAVG: 4809400 1.2733 -33.4167 34.275 -33.4167 15.9257 -17.03 34.275 -17.0299 15.1887 GPRESSAVG: 4809400 2.45653 -33.4795 36.4131 -35.6174 15.3985 -19.148 32.839 -15.9339 14.3387 TIMING: 4809400 CPU: 13976.4, 0.00292382/step Wall: 13976.4, 0.00292382/step, 0.1548 hours remaining, 207.703125 MB of memory in use. ENERGY: 4809400 746.8110 2144.9522 1950.0378 105.0249 -205819.7634 17444.1171 0.0000 0.0000 34389.5295 -149039.2909 300.3323 -183428.8204 -148949.7229 299.8888 -210.5136 -178.3043 557649.8735 10.7959 10.7312 PRESSURE: 4809600 -99.5416 -223.19 70.4263 -223.19 -192.965 -32.1527 70.4257 -32.1507 110.879 GPRESSURE: 4809600 -85.6113 -168.155 9.26784 -196.446 -177.696 -73.1056 50.8112 -61.3401 177 PRESSAVG: 4809600 17.414 -7.57808 -52.8554 -7.57811 8.23731 -0.274765 -52.8553 -0.27488 -33.7429 GPRESSAVG: 4809600 16.4012 -10.1877 -52.5137 -3.96269 8.64817 1.57026 -51.6682 -1.33851 -33.1543 TIMING: 4809600 CPU: 13977, 0.00291953/step Wall: 13977, 0.00291953/step, 0.15441 hours remaining, 207.703125 MB of memory in use. ENERGY: 4809600 723.4262 2089.7553 1948.4739 113.0615 -206174.3031 17786.4141 0.0000 0.0000 34366.9743 -149146.1977 300.1353 -183513.1720 -149049.5138 300.4250 -60.5426 -28.7694 557399.1610 -2.6972 -2.7016 PRESSURE: 4809800 160.523 135.452 -33.3608 135.453 -293.288 -7.03423 -33.3614 -7.03262 136.721 GPRESSURE: 4809800 180.642 111.099 -7.85899 125.605 -223.968 87.462 -60.9642 -20.962 146.737 PRESSAVG: 4809800 24.3431 43.1586 11.2598 43.1587 -50.012 -18.4409 11.2597 -18.4408 35.9596 GPRESSAVG: 4809800 23.1339 45.7545 9.94999 41.781 -49.8901 -17.0585 11.1701 -18.5903 36.8084 TIMING: 4809800 CPU: 13977.6, 0.00291364/step Wall: 13977.6, 0.00291364/step, 0.153937 hours remaining, 207.703125 MB of memory in use. ENERGY: 4809800 751.4446 2062.1926 1952.6022 114.3686 -206165.7937 17748.1562 0.0000 0.0000 34299.8816 -149237.1478 299.5494 -183537.0294 -149131.5017 299.4798 1.3185 34.4701 557162.5399 3.4302 3.3507 PRESSURE: 4810000 141.68 -106.533 190.97 -106.534 117.672 0.591149 190.968 0.590854 -41.6905 GPRESSURE: 4810000 209.516 -74.6732 165.907 -105.811 122.186 47.5205 187.047 -12.3998 -22.8769 PRESSAVG: 4810000 28.7891 -41.5544 119.836 -41.5545 -15.6664 60.9569 119.836 60.9568 -7.73935 GPRESSAVG: 4810000 30.0464 -40.7956 121.53 -43.4172 -14.9053 59.5555 117.856 60.3154 -9.47552 TIMING: 4810000 CPU: 13978.1, 0.0029165/step Wall: 13978.1, 0.0029165/step, 0.153926 hours remaining, 207.703125 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: 4810000 750.9983 2097.3950 1937.6238 116.3439 -206141.9353 17820.0831 0.0000 0.0000 34213.3369 -149206.1542 298.7936 -183419.4911 -149113.7633 298.7077 72.5539 102.9418 556594.8031 1.7944 1.8885 PRESSURE: 4810200 -14.8018 44.1771 6.79268 44.1765 -68.9388 -95.8124 6.79195 -95.8121 -177.103 GPRESSURE: 4810200 47.9378 76.0305 -16.4728 12.9489 -20.5991 42.5369 86.5868 -141.653 -179.117 PRESSAVG: 4810200 -19.0291 -12.7499 29.5198 -12.7499 10.986 41.4598 29.5197 41.4597 -2.17979 GPRESSAVG: 4810200 -18.9432 -16.0261 27.6142 -11.9757 11.0143 40.0098 31.8014 43.4594 -1.951 TIMING: 4810200 CPU: 13978.7, 0.00292093/step Wall: 13978.7, 0.00292093/step, 0.153998 hours remaining, 207.703125 MB of memory in use. ENERGY: 4810200 745.9407 2060.7777 1965.0602 111.6285 -205998.3816 17753.6826 0.0000 0.0000 34355.4490 -149005.8429 300.0347 -183361.2919 -148909.0169 299.0164 -86.9478 -50.5928 558089.8280 -3.4076 -3.2933 PRESSURE: 4810400 17.7067 -5.20049 157.032 -5.19916 38.0791 -120.879 157.032 -120.88 208.026 GPRESSURE: 4810400 -6.33365 6.0642 114.095 8.20945 92.9478 -166.894 164.385 -56.5269 275.559 PRESSAVG: 4810400 -25.5929 -62.6453 15.9937 -62.6454 23.7058 -3.14467 15.9937 -3.1446 58.9796 GPRESSAVG: 4810400 -25.3841 -60.6574 17.6687 -63.2031 22.3994 -0.806674 16.7543 -4.65586 60.0933 TIMING: 4810400 CPU: 13979.3, 0.0029096/step Wall: 13979.3, 0.0029096/step, 0.153239 hours remaining, 207.703125 MB of memory in use. ENERGY: 4810400 718.4407 2098.7224 1972.1114 121.0397 -206107.7154 17746.7728 0.0000 0.0000 34449.6282 -149001.0003 300.8572 -183450.6285 -148904.0567 300.1850 87.9374 120.7243 557684.6057 19.0308 19.0362 PRESSURE: 4810600 -35.2515 -57.5336 -40.8857 -57.5336 -250.367 70.6649 -40.8847 70.6668 -148.43 GPRESSURE: 4810600 -38.6464 -41.372 -8.62563 -33.5986 -195.591 48.4444 -50.0122 161.7 -95.1591 PRESSAVG: 4810600 32.9129 -72.4412 20.8385 -72.4412 -37.9534 -5.36729 20.8386 -5.3674 -23.4572 GPRESSAVG: 4810600 33.6683 -73.7405 19.0695 -72.6031 -38.2956 -7.96023 20.757 -2.78755 -23.738 TIMING: 4810600 CPU: 13979.9, 0.0029041/step Wall: 13979.9, 0.0029041/step, 0.152788 hours remaining, 207.703125 MB of memory in use. ENERGY: 4810600 776.2166 2068.5287 1988.5273 114.1949 -205879.0937 17806.6853 0.0000 0.0000 33986.3657 -149138.5752 296.8114 -183124.9409 -149044.1698 299.4955 -144.6830 -109.7987 559014.7729 -9.4992 -9.4551 PRESSURE: 4810800 -145.629 -85.0309 -39.4212 -85.0302 -217.952 67.9442 -39.4209 67.9447 137.038 GPRESSURE: 4810800 -101.374 -59.7478 34.6341 -110.68 -153.547 36.6787 -23.2201 74.598 122.786 PRESSAVG: 4810800 47.1343 19.8884 5.50756 19.8884 -49.2593 -18.6894 5.50759 -18.6894 44.9639 GPRESSAVG: 4810800 46.8043 21.683 7.93845 19.5071 -49.7112 -18.0267 4.96717 -20.8213 45.5809 TIMING: 4810800 CPU: 13980.5, 0.00292048/step Wall: 13980.5, 0.00292048/step, 0.153487 hours remaining, 207.703125 MB of memory in use. ENERGY: 4810800 739.5492 2117.0638 1961.1875 109.6104 -206352.4047 17851.3619 0.0000 0.0000 34331.5181 -149242.1139 299.8257 -183573.6320 -149146.6525 298.7768 -75.5142 -44.0450 558075.4892 14.2796 14.2247 PRESSURE: 4811000 -32.9796 7.74004 -46.2749 7.73856 -22.23 -6.47704 -46.2734 -6.47751 -211.529 GPRESSURE: 4811000 -1.20599 -4.99087 -4.6206 -7.60727 -40.0853 108.339 -13.8761 -53.1042 -133.361 PRESSAVG: 4811000 1.50087 -43.3331 -11.459 -43.3331 27.3953 10.9837 -11.459 10.9838 16.167 GPRESSAVG: 4811000 0.825262 -44.1544 -13.6784 -41.44 28.7038 13.6383 -11.6322 11.0383 14.955 TIMING: 4811000 CPU: 13981.1, 0.00292413/step Wall: 13981.1, 0.00292413/step, 0.153517 hours remaining, 207.906250 MB of memory in use. ENERGY: 4811000 744.7685 2095.0507 1967.5905 111.2329 -206082.4441 17722.8582 0.0000 0.0000 34223.3281 -149217.6154 298.8808 -183440.9435 -149125.4945 298.8592 -88.9129 -58.2175 558862.0168 15.0211 14.8280 PRESSURE: 4811200 -51.3223 2.77099 -15.8161 2.77081 -34.6402 23.2991 -15.8149 23.2983 -131.555 GPRESSURE: 4811200 -27.8845 51.0027 37.8229 -4.26531 -14.9362 22.8538 -13.2929 -35.4185 -83.0138 PRESSAVG: 4811200 -10.8693 -16.3422 76.6659 -16.3423 19.2908 12.1852 76.6659 12.1852 29.9353 GPRESSAVG: 4811200 -9.88328 -15.2226 77.5083 -19.0837 17.5305 10.6033 77.2061 11.7494 30.7905 TIMING: 4811200 CPU: 13981.6, 0.0029034/step Wall: 13981.6, 0.0029034/step, 0.152267 hours remaining, 207.906250 MB of memory in use. ENERGY: 4811200 768.3140 2107.6468 1944.6075 103.6084 -206034.3144 17721.7721 0.0000 0.0000 34276.8018 -149111.5639 299.3478 -183388.3657 -149011.8989 298.7831 -72.5058 -41.9448 558522.4522 12.7856 12.8126 PRESSURE: 4811400 30.9476 -13.82 -103.326 -13.8214 76.3514 36.5778 -103.326 36.5787 122.765 GPRESSURE: 4811400 168.313 7.9331 -137.438 26.9888 44.8677 -4.0094 -74.2415 -8.83145 128.362 PRESSAVG: 4811400 69.5865 -5.97342 0.582341 -5.97343 -2.65641 23.1857 0.582235 23.1856 9.72908 GPRESSAVG: 4811400 69.4545 -7.39692 2.01148 -3.86034 -1.13801 23.745 0.845091 22.9064 8.73058 TIMING: 4811400 CPU: 13982.2, 0.00291709/step Wall: 13982.2, 0.00291709/step, 0.152823 hours remaining, 207.906250 MB of memory in use. ENERGY: 4811400 744.1417 2102.5418 1965.6527 112.9419 -206308.1319 17983.0744 0.0000 0.0000 34167.8485 -149231.9309 298.3963 -183399.7795 -149130.0882 298.8098 76.6880 113.8477 557753.3971 25.5531 25.6823 PRESSURE: 4811600 -44.5208 187.494 151.272 187.493 -56.4164 12.3047 151.272 12.3056 69.7165 GPRESSURE: 4811600 -60.8047 171.192 146.518 109.188 0.85386 -94.3074 122.153 53.731 122.526 PRESSAVG: 4811600 -36.4111 -20.8409 47.1508 -20.8409 31.7361 4.32384 47.1508 4.32379 11.4436 GPRESSAVG: 4811600 -36.322 -19.7806 45.4118 -20.2515 30.9909 3.87551 47.4243 6.38352 12.3299 TIMING: 4811600 CPU: 13982.8, 0.00296193/step Wall: 13982.8, 0.00296193/step, 0.155008 hours remaining, 207.906250 MB of memory in use. ENERGY: 4811600 759.0565 2134.6039 1943.6854 107.8371 -206303.4688 17787.9049 0.0000 0.0000 34333.2267 -149237.1544 299.8406 -183570.3811 -149146.8764 299.1523 -10.4069 20.8585 559728.3704 2.2562 2.3329 PRESSURE: 4811800 -248.36 -7.38051 36.7949 -7.38179 -211.571 21.937 36.7955 21.9368 158.696 GPRESSURE: 4811800 -308.615 1.56351 50.3916 6.89698 -118.956 32.3777 -32.6417 46.9661 205.85 PRESSAVG: 4811800 -53.1107 -36.6193 40.3997 -36.6192 1.56554 2.29778 40.3996 2.29787 44.9222 GPRESSAVG: 4811800 -53.5004 -36.4568 42.0511 -36.8606 2.44017 1.30922 39.438 0.357958 44.4132 TIMING: 4811800 CPU: 13983.4, 0.00293963/step Wall: 13983.4, 0.00293963/step, 0.153678 hours remaining, 207.906250 MB of memory in use. ENERGY: 4811800 757.2270 2155.5913 1972.1476 126.4252 -206171.4976 17757.6730 0.0000 0.0000 34284.1637 -149118.2697 299.4121 -183402.4334 -149022.0054 299.7992 -100.4116 -73.9070 558789.1485 -2.2076 -2.2157 PRESSURE: 4812000 -409.841 -47.3765 82.6035 -47.3765 -122.777 86.6423 82.6022 86.6431 220.234 GPRESSURE: 4812000 -349.28 37.3886 140.835 -2.98086 -139.133 62.4825 37.005 122.422 262.493 PRESSAVG: 4812000 -2.55814 33.3654 26.9053 33.3653 -74.0696 13.0524 26.9053 13.0524 96.6419 GPRESSAVG: 4812000 -3.67109 34.1297 25.4787 34.3366 -74.8538 15.795 28.0794 12.7021 98.4809 TIMING: 4812000 CPU: 13984, 0.00291568/step Wall: 13984, 0.00291568/step, 0.152263 hours remaining, 207.906250 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: 4812000 744.0424 2170.5047 1961.2816 121.0524 -206055.9964 17692.1722 0.0000 0.0000 34098.8686 -149268.0744 297.7939 -183366.9431 -149169.0585 299.6024 -104.1280 -75.3067 557486.8516 6.6714 6.6520 PRESSURE: 4812200 -18.6792 -82.5937 195.66 -82.5934 -63.5378 -28.5852 195.662 -28.5842 -23.5993 GPRESSURE: 4812200 16.2032 -84.1495 209.393 -46.5255 -79.9397 -38.9947 158.672 -60.436 60.6372 PRESSAVG: 4812200 -41.2061 3.62748 44.617 3.6274 -51.2939 -48.6251 44.6169 -48.625 50.5005 GPRESSAVG: 4812200 -38.9612 2.49992 45.904 3.50642 -51.829 -49.3674 42.8453 -46.7324 48.7908 TIMING: 4812200 CPU: 13984.6, 0.00291418/step Wall: 13984.6, 0.00291418/step, 0.152023 hours remaining, 207.906250 MB of memory in use. ENERGY: 4812200 765.6803 2081.9526 2000.6310 116.1987 -206149.1239 17858.1328 0.0000 0.0000 34136.9946 -149189.5338 298.1269 -183326.5285 -149093.2575 299.2941 -35.2721 -1.0331 557610.0015 -13.9998 -13.9998 LDB: ============= START OF LOAD BALANCING ============== 13988 LDB: ============== END OF LOAD BALANCING =============== 13988 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13988 LDB: ============= START OF LOAD BALANCING ============== 13988.3 LDB: Largest compute 4848 load 0.028788 is 24.4% of average load 0.117845 LDB: Average compute 0.001729 is 1.5% of average load 0.117845 LDB: TIME 13988.3 LOAD: AVG 0.117845 MAX 0.190456 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.637 MB LDB: TIME 13988.3 LOAD: AVG 0.117845 MAX 0.190456 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: TIME 13988.3 LOAD: AVG 0.117845 MAX 0.190456 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.844 MB LDB: ============== END OF LOAD BALANCING =============== 13988.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13988.3 PRESSURE: 4812400 159.416 -106.108 -153.12 -106.108 166.423 -216.704 -153.121 -216.706 68.2124 GPRESSURE: 4812400 181.506 -67.805 -130.883 -149.854 166.562 -234.31 -160.133 -204.707 142.714 PRESSAVG: 4812400 56.2453 -4.14833 65.8197 -4.14841 -74.891 -36.9087 65.8197 -36.9088 21.7549 GPRESSAVG: 4812400 56.7806 -5.22274 63.0238 -4.51929 -74.68 -38.3713 67.328 -39.2765 20.809 TIMING: 4812400 CPU: 13985.2, 0.0029804/step Wall: 13985.2, 0.0029804/step, 0.155312 hours remaining, 207.355469 MB of memory in use. ENERGY: 4812400 731.8490 2090.3287 1965.3331 118.4328 -206110.8088 17794.4571 0.0000 0.0000 34234.3275 -149176.0806 298.9769 -183410.4081 -149080.5745 298.8490 131.3504 163.5943 556854.3309 1.0364 0.9699 PRESSURE: 4812600 220.55 24.7374 13.0515 24.7372 -106.53 -20.129 13.0514 -20.1281 299.653 GPRESSURE: 4812600 306.873 14.7013 -34.5148 48.6622 -68.5246 -44.6809 84.1586 9.399 285.138 PRESSAVG: 4812600 43.6453 -21.6215 -8.32478 -21.6216 -44.4898 -25.5775 -8.32483 -25.5776 21.0016 GPRESSAVG: 4812600 42.8938 -19.7857 -6.99178 -21.1011 -43.9794 -23.487 -8.61485 -24.7625 20.5806 TIMING: 4812600 CPU: 13985.7, 0.0029139/step Wall: 13985.7, 0.0029139/step, 0.151685 hours remaining, 207.671875 MB of memory in use. ENERGY: 4812600 746.7371 2063.1157 1934.6439 109.3733 -206206.2024 18001.6169 0.0000 0.0000 34178.2165 -149172.4991 298.4869 -183350.7156 -149080.2267 299.1889 137.8911 174.4955 558060.5754 6.7190 6.4983 PRESSURE: 4812800 -175.001 44.6481 -90.3574 44.6484 -47.524 72.6138 -90.3574 72.6138 -5.41525 GPRESSURE: 4812800 -163.777 27.9573 -24.3826 -2.54402 -39.482 45.6585 -155.117 43.977 57.2924 PRESSAVG: 4812800 53.0587 55.237 -36.0117 55.2372 -36.3782 83.6061 -36.0117 83.6061 -28.7484 GPRESSAVG: 4812800 51.8636 54.871 -35.7798 53.2236 -37.0529 81.6026 -36.5538 84.153 -26.8773 TIMING: 4812800 CPU: 13986.3, 0.00291832/step Wall: 13986.3, 0.00291832/step, 0.151753 hours remaining, 207.671875 MB of memory in use. ENERGY: 4812800 757.2346 2042.1513 1946.6067 115.2514 -205999.2810 17531.0641 0.0000 0.0000 34443.3245 -149163.6483 300.8021 -183606.9728 -149064.4951 299.3165 -75.9800 -48.6556 557661.4467 -4.0226 -4.0222 PRESSURE: 4813000 -353.492 14.7624 -239.934 14.7623 -257.673 -13.0982 -239.934 -13.0967 -161.128 GPRESSURE: 4813000 -302.485 -0.770779 -188.244 15.1031 -184.517 10.6342 -216.945 -25.8349 -198.391 PRESSAVG: 4813000 32.4205 -6.14109 -96.582 -6.14102 -37.5096 -26.6862 -96.5819 -26.6862 -15.1831 GPRESSAVG: 4813000 30.6112 -8.37528 -97.0386 -3.629 -36.516 -26.3496 -96.203 -26.9607 -14.2202 TIMING: 4813000 CPU: 13986.9, 0.00292834/step Wall: 13986.9, 0.00292834/step, 0.152111 hours remaining, 207.671875 MB of memory in use. ENERGY: 4813000 778.3993 2087.2173 1941.6510 102.4479 -205635.9462 17495.0621 0.0000 0.0000 34209.2419 -149021.9267 298.7578 -183231.1687 -148932.1987 298.4775 -257.4310 -228.4642 560090.9482 -6.7574 -6.7083 PRESSURE: 4813200 66.2346 43.8588 160.888 43.8579 -147.581 -66.3316 160.888 -66.3317 -7.00449 GPRESSURE: 4813200 42.7625 12.7412 71.9887 26.9702 -76.6978 -71.5103 152.906 -30.5178 33.5047 PRESSAVG: 4813200 29.5086 -42.9142 -10.4299 -42.9142 -23.4901 35.2094 -10.43 35.2094 -19.0313 GPRESSAVG: 4813200 31.1996 -38.6219 -9.66552 -47.0268 -23.1324 36.436 -10.8444 32.3119 -21.1622 TIMING: 4813200 CPU: 13987.5, 0.00292129/step Wall: 13987.5, 0.00292129/step, 0.151582 hours remaining, 207.671875 MB of memory in use. ENERGY: 4813200 722.1025 1998.8544 1975.1896 114.9709 -205933.4541 17655.4868 0.0000 0.0000 34380.4685 -149086.3815 300.2532 -183466.8500 -148995.5382 299.1183 -29.4504 -0.1435 559167.7611 -4.3376 -4.3650 PRESSURE: 4813400 -133.586 -178.198 -119.696 -178.197 -93.2574 30.6565 -119.697 30.6548 26.2838 GPRESSURE: 4813400 -123.262 -136.656 -46.68 -81.828 -25.9829 78.6648 -164.944 2.26083 39.7245 PRESSAVG: 4813400 -4.96847 -8.66075 20.5088 -8.66074 16.035 -37.061 20.5088 -37.0609 28.335 GPRESSAVG: 4813400 -4.69679 -10.8078 21.1295 -6.13379 14.7536 -37.5632 19.9729 -34.3433 29.7546 TIMING: 4813400 CPU: 13988.1, 0.00293127/step Wall: 13988.1, 0.00293127/step, 0.151937 hours remaining, 207.671875 MB of memory in use. ENERGY: 4813400 749.2830 2046.2950 1940.4391 125.4602 -205577.2456 17658.2067 0.0000 0.0000 34133.1860 -148924.3756 298.0936 -183057.5616 -148826.7074 299.5454 -66.8531 -36.5068 559759.1508 13.1338 13.2705 PRESSURE: 4813600 -89.4399 36.1899 94.6725 36.1896 70.3356 30.8734 94.6735 30.8741 256.985 GPRESSURE: 4813600 -16.4386 58.5441 79.1727 -13.2693 47.6253 77.076 132.378 7.48454 304.451 PRESSAVG: 4813600 19.2487 9.74912 19.2647 9.74903 29.728 6.049 19.2646 6.04908 -32.2866 GPRESSAVG: 4813600 18.7664 9.01273 19.9214 10.1088 30.0935 6.2244 19.6966 7.53108 -33.0397 TIMING: 4813600 CPU: 13988.7, 0.00293329/step Wall: 13988.7, 0.00293329/step, 0.151879 hours remaining, 207.671875 MB of memory in use. ENERGY: 4813600 753.7274 2049.9326 1961.2065 124.0312 -206022.4671 17737.3445 0.0000 0.0000 34462.3471 -148933.8777 300.9682 -183396.2249 -148838.2431 299.7758 79.2934 111.8792 556801.1968 5.5634 5.2734 PRESSURE: 4813800 -29.371 17.8182 106.465 17.8183 -57.1023 69.6926 106.466 69.6929 -191.375 GPRESSURE: 4813800 -2.89643 50.4544 -1.41667 71.5181 -61.6056 29.5277 162.983 145.341 -118.656 PRESSAVG: 4813800 74.2091 -23.6741 -1.27845 -23.674 12.0538 1.12114 -1.27843 1.12109 -68.808 GPRESSAVG: 4813800 74.0296 -21.9354 -1.56344 -21.8109 13.4375 -0.132668 -1.59298 -0.0795911 -69.1516 TIMING: 4813800 CPU: 13989.2, 0.00291002/step Wall: 13989.2, 0.00291002/step, 0.150513 hours remaining, 207.671875 MB of memory in use. ENERGY: 4813800 761.2771 2062.5442 1962.8595 110.7018 -206039.1304 17738.6200 0.0000 0.0000 34454.3717 -148948.7561 300.8986 -183403.1278 -148846.2813 300.3528 -92.6161 -61.0528 558105.7959 5.8183 6.1052 PRESSURE: 4814000 -189.71 108.55 -68.4493 108.549 -119.146 116.087 -68.4501 116.088 239.59 GPRESSURE: 4814000 -116.11 34.817 10.9658 137.222 -110.433 112.193 -72.4012 51.354 266.647 PRESSAVG: 4814000 75.8769 50.937 -8.561 50.937 -51.4978 31.8774 -8.56089 31.8774 -20.1824 GPRESSAVG: 4814000 76.0363 49.649 -9.85255 49.7055 -51.6032 34.3562 -6.68546 30.9411 -20.2682 TIMING: 4814000 CPU: 13989.8, 0.00291668/step Wall: 13989.8, 0.00291668/step, 0.150695 hours remaining, 207.671875 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: 4814000 777.0677 2048.0106 1943.1186 96.7657 -205952.3381 17747.1364 0.0000 0.0000 34274.8669 -149065.3723 299.3309 -183340.2391 -148971.2684 300.4469 -23.0887 13.3678 558694.4859 1.3989 1.3883 PRESSURE: 4814200 -280.418 -132.922 30.305 -132.922 246.26 34.993 30.3037 34.9937 -107.143 GPRESSURE: 4814200 -223.594 -159.064 20.8256 -67.1481 264.144 64.5883 47.0888 48.9074 -72.3982 PRESSAVG: 4814200 -17.9837 -9.93472 25.2946 -9.93476 -7.60806 -3.3047 25.2946 -3.30472 -15.5312 GPRESSAVG: 4814200 -18.9779 -9.48097 25.9075 -10.1421 -7.48068 -5.85602 23.4818 -3.28677 -14.5769 TIMING: 4814200 CPU: 13990.4, 0.00289752/step Wall: 13990.4, 0.00289752/step, 0.149544 hours remaining, 207.671875 MB of memory in use. ENERGY: 4814200 778.4978 2125.3696 1972.1040 108.2475 -206043.6813 17997.8272 0.0000 0.0000 33939.2507 -149122.3845 296.3999 -183061.6352 -149024.7331 299.4140 -47.1002 -10.6161 559646.6883 -13.7077 -13.6785 PRESSURE: 4814400 163.195 -70.0639 129.323 -70.0629 -9.23553 165.052 129.323 165.053 -3.86871 GPRESSURE: 4814400 149.482 -57.0221 59.3046 -75.3877 32.3841 178.483 174.55 192.825 46.9997 PRESSAVG: 4814400 -47.7729 -28.3133 54.2152 -28.3133 50.6163 33.4069 54.2152 33.4068 20.2692 GPRESSAVG: 4814400 -46.5101 -27.2891 54.2343 -29.5879 50.1872 35.3759 55.6772 34.163 19.557 TIMING: 4814400 CPU: 13991, 0.00290663/step Wall: 13991, 0.00290663/step, 0.149853 hours remaining, 207.671875 MB of memory in use. ENERGY: 4814400 729.9737 2136.7056 1938.7682 109.5984 -206278.6149 18051.3865 0.0000 0.0000 34232.3066 -149079.8758 298.9592 -183312.1824 -148980.1689 299.5079 50.0301 76.2885 557585.3345 7.7042 7.7447 PRESSURE: 4814600 125.254 105.029 -140.712 105.03 63.238 -11.5122 -140.712 -11.5128 107.187 GPRESSURE: 4814600 112.944 57.504 -186.066 51.4006 159.613 -13.1327 -66.2111 56.87 104.831 PRESSAVG: 4814600 74.4317 15.4895 1.68291 15.4894 -34.2158 -22.3995 1.68295 -22.3996 -9.60781 GPRESSAVG: 4814600 73.8091 15.5062 1.38067 14.792 -33.9045 -22.897 0.301179 -22.9965 -9.17582 TIMING: 4814600 CPU: 13991.6, 0.00291866/step Wall: 13991.6, 0.00291866/step, 0.150311 hours remaining, 207.671875 MB of memory in use. ENERGY: 4814600 731.9238 2144.2406 1985.4999 108.0419 -206257.5536 18005.0437 0.0000 0.0000 34288.8527 -148993.9511 299.4531 -183282.8038 -148900.9632 299.0885 98.5598 125.7960 558236.3857 10.2027 10.2429 PRESSURE: 4814800 257.423 38.8253 5.97899 38.8251 109.029 -25.4456 5.98063 -25.4457 399.251 GPRESSURE: 4814800 327.565 -0.884322 0.695319 49.5113 124.187 -21.2051 -0.308613 93.2305 413.78 PRESSAVG: 4814800 -17.9836 -6.07612 0.476787 -6.07617 -56.4746 -31.7777 0.476813 -31.7777 -5.62117 GPRESSAVG: 4814800 -16.9901 -7.32313 0.924514 -3.30239 -57.077 -30.1946 -1.25432 -32.1269 -5.82657 TIMING: 4814800 CPU: 13992.2, 0.00290565/step Wall: 13992.2, 0.00290565/step, 0.149479 hours remaining, 207.671875 MB of memory in use. ENERGY: 4814800 728.3399 2097.3976 1940.4852 121.4397 -206337.0940 18139.3567 0.0000 0.0000 34390.8739 -148919.2009 300.3441 -183310.0748 -148824.0940 299.5491 255.2343 288.5108 556704.5223 -26.6931 -26.6312 PRESSURE: 4815000 -72.3138 36.8742 64.0235 36.8735 -2.98737 128.631 64.0234 128.632 -212.744 GPRESSURE: 4815000 -37.6433 57.3227 -10.3166 102.315 14.661 31.9063 111.805 73.626 -172.133 PRESSAVG: 4815000 -35.806 -14.8523 12.2276 -14.8523 -46.2422 -15.9262 12.2275 -15.9262 79.8393 GPRESSAVG: 4815000 -35.8211 -14.873 10.8233 -16.1882 -46.0997 -13.8008 13.8673 -17.9444 79.7008 TIMING: 4815000 CPU: 13992.7, 0.0028952/step Wall: 13992.7, 0.0028952/step, 0.148781 hours remaining, 207.671875 MB of memory in use. ENERGY: 4815000 778.4011 2128.2822 1947.0505 122.2794 -206006.2798 17780.4052 0.0000 0.0000 34341.2555 -148908.6059 299.9107 -183249.8614 -148813.0981 300.1591 -96.0151 -65.0385 557918.5897 -0.7363 -0.7400 PRESSURE: 4815200 -279.606 66.9717 -11.3309 66.9718 -49.9025 37.6208 -11.3311 37.6212 162.497 GPRESSURE: 4815200 -218.625 74.5355 -35.5838 105.659 -0.590041 5.85874 6.8535 -20.5839 147.473 PRESSAVG: 4815200 -4.3438 2.39341 39.1222 2.39331 -11.34 -44.1635 39.1223 -44.1634 30.202 GPRESSAVG: 4815200 -3.6951 2.50997 39.8079 1.67365 -12.0843 -47.3333 38.3938 -44.5799 30.5668 TIMING: 4815200 CPU: 13993.3, 0.0029044/step Wall: 13993.3, 0.0029044/step, 0.149092 hours remaining, 207.671875 MB of memory in use. ENERGY: 4815200 759.4553 2123.9760 1964.3629 130.4132 -206107.4671 17790.8903 0.0000 0.0000 34330.9618 -149007.4076 299.8208 -183338.3694 -148919.6718 300.1265 -55.6708 -23.9138 557595.9156 4.8394 4.9291 PRESSURE: 4815400 129.524 -54.0624 -63.0679 -54.0631 -128.361 44.7909 -63.0674 44.7895 196.629 GPRESSURE: 4815400 164.081 -32.3184 -134.348 -95.2021 -72.4548 99.3398 -10.5331 9.2124 201.074 PRESSAVG: 4815400 -41.6124 -4.85898 -32.3024 -4.85897 -11.9444 -22.1303 -32.3024 -22.1302 39.6695 GPRESSAVG: 4815400 -42.5508 -3.17159 -31.2002 -6.83365 -11.6074 -22.6352 -32.131 -18.7813 40.3362 TIMING: 4815400 CPU: 13993.9, 0.00292655/step Wall: 13993.9, 0.00292655/step, 0.150067 hours remaining, 207.671875 MB of memory in use. ENERGY: 4815400 771.8016 2069.5312 1978.5499 120.5880 -206362.5932 18129.9197 0.0000 0.0000 34379.2601 -148912.9428 300.2426 -183292.2029 -148822.4745 299.7796 65.9306 97.5667 559226.7170 -4.6291 -4.6073 PRESSURE: 4815600 121.912 -24.052 52.884 -24.0514 111.768 -86.4363 52.8837 -86.4384 -32.0091 GPRESSURE: 4815600 122.942 -23.2289 23.052 23.4562 180.108 -87.6582 41.1421 -118.945 -9.61225 PRESSAVG: 4815600 -46.6672 23.9746 -43.4212 23.9746 7.27222 -65.8118 -43.4212 -65.8118 28.2509 GPRESSAVG: 4815600 -46.026 23.836 -44.3216 25.1737 6.1006 -65.6644 -44.6292 -67.0438 29.1445 TIMING: 4815600 CPU: 13994.5, 0.00293098/step Wall: 13994.5, 0.00293097/step, 0.150131 hours remaining, 207.671875 MB of memory in use. ENERGY: 4815600 738.3487 2067.9255 1960.2229 124.5480 -205934.6694 17844.2933 0.0000 0.0000 34330.5540 -148868.7771 299.8173 -183199.3311 -148773.4415 299.2752 67.2236 97.8125 558505.0402 -3.7147 -3.5936 PRESSURE: 4815800 -53.1431 -14.4425 17.1945 -14.4423 -121.085 40.6292 17.195 40.6279 -84.463 GPRESSURE: 4815800 29.0064 -27.3617 32.1036 -65.0487 -161.917 46.4515 34.6143 -28.4284 -26.3918 PRESSAVG: 4815800 8.20924 -9.11471 -32.9507 -9.1147 18.679 1.39858 -32.9507 1.39863 -14.8283 GPRESSAVG: 4815800 7.85068 -9.96874 -33.8232 -8.97683 19.5945 1.33435 -30.759 1.20441 -15.8017 TIMING: 4815800 CPU: 13995.1, 0.00293072/step Wall: 13995.1, 0.00293072/step, 0.149955 hours remaining, 207.671875 MB of memory in use. ENERGY: 4815800 759.9851 2144.7082 1995.7816 127.7978 -205751.4312 17745.1500 0.0000 0.0000 34119.0668 -148858.9416 297.9703 -182978.0083 -148763.1070 300.0358 -86.2304 -53.1009 560524.1330 4.0200 3.8812 PRESSURE: 4816000 -271.118 49.8346 17.9874 49.8336 226.219 -17.7338 17.9879 -17.7332 -183.328 GPRESSURE: 4816000 -215.426 88.4376 0.967233 -44.8218 217.141 7.90187 24.0988 29.9963 -137.864 PRESSAVG: 4816000 -57.6163 6.84527 -29.3953 6.84523 22.0568 37.5654 -29.3952 37.5653 -2.8771 GPRESSAVG: 4816000 -57.579 7.55578 -29.0451 8.82624 21.3638 36.4399 -30.3265 38.5813 -2.81071 TIMING: 4816000 CPU: 13995.7, 0.00292479/step Wall: 13995.7, 0.00292479/step, 0.149489 hours remaining, 207.671875 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: 4816000 752.2866 2089.6887 1944.9776 124.3440 -205672.6515 17771.7847 0.0000 0.0000 34095.9595 -148893.6102 297.7685 -182989.5698 -148793.3495 299.7056 -76.0758 -45.3829 558966.9143 -12.8122 -13.0086 PRESSURE: 4816200 -208.446 -89.9742 106.615 -89.9734 -100.896 -58.1487 106.615 -58.1511 -131.377 GPRESSURE: 4816200 -157.481 -93.3277 172.101 -52.8022 -35.177 -142.275 93.2008 -6.07866 -153.273 PRESSAVG: 4816200 -55.6492 -75.2136 -53.0296 -75.2136 35.0982 29.0837 -53.0295 29.0837 13.7801 GPRESSAVG: 4816200 -55.7344 -74.8903 -50.7699 -76.7888 34.7496 30.5375 -52.4615 27.2808 13.5375 TIMING: 4816200 CPU: 13996.2, 0.00291055/step Wall: 13996.2, 0.00291055/step, 0.1486 hours remaining, 207.671875 MB of memory in use. ENERGY: 4816200 746.6033 2117.0312 1953.1480 118.5098 -205843.7904 17703.6280 0.0000 0.0000 34379.2447 -148825.6253 300.2425 -183204.8700 -148728.6269 299.9572 -146.9062 -115.3104 559307.0783 -2.2570 -2.4825 LDB: ============= START OF LOAD BALANCING ============== 13999.7 LDB: ============== END OF LOAD BALANCING =============== 13999.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13999.7 LDB: ============= START OF LOAD BALANCING ============== 14000 LDB: Largest compute 4848 load 0.028260 is 24.0% of average load 0.117877 LDB: Average compute 0.001736 is 1.5% of average load 0.117877 LDB: TIME 14000 LOAD: AVG 0.117877 MAX 0.18887 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.312 MB LDB: TIME 14000 LOAD: AVG 0.117877 MAX 0.18887 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.383 MB LDB: TIME 14000 LOAD: AVG 0.117877 MAX 0.18887 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.383 MB LDB: ============== END OF LOAD BALANCING =============== 14000 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14000 PRESSURE: 4816400 307.819 -63.2187 -45.2712 -63.2177 180.509 -50.4074 -45.2728 -50.4086 95.5867 GPRESSURE: 4816400 321.249 -84.4732 -118.655 -64.5114 236.584 -37.8722 -15.446 -53.1825 117.355 PRESSAVG: 4816400 55.5916 -33.012 -27.3142 -33.0119 13.5204 23.5091 -27.3142 23.509 -41.1434 GPRESSAVG: 4816400 55.2649 -31.9679 -28.6134 -33.9079 14.4509 23.1924 -26.5864 24.0207 -42.0343 TIMING: 4816400 CPU: 13996.8, 0.00297621/step Wall: 13996.8, 0.00297621/step, 0.151787 hours remaining, 206.859375 MB of memory in use. ENERGY: 4816400 729.8233 2114.0092 1947.1686 116.7421 -206305.3059 18070.8121 0.0000 0.0000 34416.1786 -148910.5720 300.5650 -183326.7506 -148819.6124 300.3760 194.6383 225.0626 557072.3076 9.3229 9.2272 PRESSURE: 4816600 -16.936 54.1646 -110.841 54.1646 -37.7166 118.819 -110.844 118.819 150.115 GPRESSURE: 4816600 -17.1069 43.6524 -114.858 55.9835 -21.9109 18.6369 -85.5908 91.5669 240.5 PRESSAVG: 4816600 78.3453 31.2399 -39.1221 31.2399 4.43869 19.7434 -39.122 19.7434 -59.4465 GPRESSAVG: 4816600 78.9262 29.6279 -39.8584 32.5635 3.35663 19.5174 -38.4469 20.5262 -58.6859 TIMING: 4816600 CPU: 13997.4, 0.00293898/step Wall: 13997.4, 0.00293898/step, 0.149725 hours remaining, 207.062500 MB of memory in use. ENERGY: 4816600 741.2182 2059.9204 1959.7175 109.1441 -206238.9594 18038.2035 0.0000 0.0000 34472.5784 -148858.1774 301.0576 -183330.7558 -148764.1161 300.0033 31.8208 67.1608 558935.1829 7.7791 7.8656 PRESSURE: 4816800 131.398 17.0665 -85.6316 17.067 86.3336 -21.6525 -85.6292 -21.6529 98.9206 GPRESSURE: 4816800 133.352 119.277 -71.6075 -7.77391 143.694 5.94878 -73.1743 -87.1564 133.934 PRESSAVG: 4816800 49.5046 13.9344 -27.3304 13.9345 -67.8079 -54.0688 -27.3303 -54.0688 12.0066 GPRESSAVG: 4816800 49.7052 13.9975 -25.4506 13.3807 -67.4162 -54.4623 -28.4873 -52.8364 11.4959 TIMING: 4816800 CPU: 13998, 0.00293859/step Wall: 13998, 0.00293859/step, 0.149542 hours remaining, 207.132812 MB of memory in use. ENERGY: 4816800 739.2565 2111.8516 1967.6990 126.7343 -206087.2868 17910.2340 0.0000 0.0000 34401.8791 -148829.6324 300.4402 -183231.5115 -148733.3920 299.9440 105.5507 136.9935 557375.6636 -2.0989 -2.0717 PRESSURE: 4817000 -269.107 137.161 -84.3816 137.161 23.112 -300.294 -84.382 -300.294 110.659 GPRESSURE: 4817000 -193.18 95.5976 -49.3433 100.16 75.3866 -247.337 -88.0598 -253.569 97.4983 PRESSAVG: 4817000 21.6805 22.2675 -0.621834 22.2674 -32.0819 -67.515 -0.621809 -67.5149 39.5952 GPRESSAVG: 4817000 22.4025 21.0169 -1.86266 24.6392 -32.5592 -66.5024 1.51883 -69.1309 39.4657 TIMING: 4817000 CPU: 13998.6, 0.00292244/step Wall: 13998.6, 0.00292244/step, 0.148557 hours remaining, 207.132812 MB of memory in use. ENERGY: 4817000 742.5694 2091.2931 1974.7918 106.2077 -206049.2870 17785.0591 0.0000 0.0000 34524.4371 -148824.9288 301.5105 -183349.3659 -148737.8563 300.6571 -45.1120 -6.7650 559064.6628 9.7313 9.7697 PRESSURE: 4817200 -107.949 85.2068 45.6361 85.2067 -36.4044 -248.345 45.6365 -248.347 -3.58321 GPRESSURE: 4817200 -57.4327 66.5907 34.2781 -3.56897 36.3534 -239.675 56.3674 -268.266 -26.5508 PRESSAVG: 4817200 -18.9643 33.1799 -83.8356 33.18 45.1075 -45.3939 -83.8356 -45.3939 6.02938 GPRESSAVG: 4817200 -20.1735 35.6456 -81.7784 29.7963 47.5348 -44.7564 -84.6987 -45.5524 4.90782 TIMING: 4817200 CPU: 13999.2, 0.00295168/step Wall: 13999.2, 0.00295168/step, 0.14988 hours remaining, 207.132812 MB of memory in use. ENERGY: 4817200 751.6209 2082.0145 1966.6143 123.8994 -205766.3799 17797.3798 0.0000 0.0000 34267.5306 -148777.3204 299.2669 -183044.8510 -148677.8588 300.1556 -49.3123 -15.8767 560457.4266 10.7242 10.7564 PRESSURE: 4817400 -192.376 15.9591 49.8071 15.959 -60.8216 60.0074 49.8061 60.0058 -9.57847 GPRESSURE: 4817400 -176.282 -63.7268 83.798 83.8195 -67.1452 23.6091 19.38 109.966 80.4572 PRESSAVG: 4817400 32.6831 24.7783 26.1457 24.7783 -4.48884 -34.5758 26.1456 -34.5758 9.61212 GPRESSAVG: 4817400 33.4876 23.5478 24.5874 24.4134 -5.64933 -34.8544 26.8366 -34.5539 9.81139 TIMING: 4817400 CPU: 13999.8, 0.00294429/step Wall: 13999.8, 0.00294429/step, 0.149341 hours remaining, 207.132812 MB of memory in use. ENERGY: 4817400 727.6991 2079.0033 1941.3999 106.6410 -205831.0817 17716.4303 0.0000 0.0000 34439.1394 -148820.7687 300.7656 -183259.9081 -148718.7873 300.2280 -87.5919 -54.3232 558205.1777 12.6021 12.5499 PRESSURE: 4817600 15.3399 -154.276 96.6426 -154.275 184.25 -110.753 96.6419 -110.753 -17.4435 GPRESSURE: 4817600 24.9232 -116.042 59.3322 -113.126 203.713 -65.1046 106.336 -116.446 55.5083 PRESSAVG: 4817600 -15.0413 64.2333 48.4858 64.2333 93.4868 3.16758 48.4857 3.16765 -88.4668 GPRESSAVG: 4817600 -15.4301 65.8303 49.3403 66.0163 92.5257 2.22148 49.4236 3.52277 -87.1869 TIMING: 4817600 CPU: 14000.4, 0.0029243/step Wall: 14000.4, 0.0029243/step, 0.148164 hours remaining, 207.132812 MB of memory in use. ENERGY: 4817600 733.6595 2097.5598 1949.0811 107.4525 -206068.5360 17936.2616 0.0000 0.0000 34423.6140 -148820.9076 300.6300 -183244.5216 -148726.0959 300.5510 60.7154 94.7149 558745.6705 -3.3404 -3.3638 PRESSURE: 4817800 -149.75 122.264 128.079 122.265 -227.769 51.7518 128.078 51.7514 -143.676 GPRESSURE: 4817800 -158.952 56.7523 153.417 132.083 -168.108 -17.3919 94.1351 89.492 -106.821 PRESSAVG: 4817800 19.9235 -6.41931 10.6298 -6.41925 -18.3506 -66.9381 10.6298 -66.938 12.8421 GPRESSAVG: 4817800 19.7721 -8.03976 10.4399 -6.17013 -17.5704 -68.8814 10.3338 -65.8708 12.8829 TIMING: 4817800 CPU: 14000.9, 0.00290934/step Wall: 14000.9, 0.00290934/step, 0.147245 hours remaining, 207.132812 MB of memory in use. ENERGY: 4817800 743.5017 2083.0104 1968.3018 113.6580 -205132.3777 17321.1440 0.0000 0.0000 34228.6654 -148674.0964 298.9274 -182902.7618 -148572.0618 299.9670 -173.7315 -144.6269 559801.1180 4.8050 5.0282 PRESSURE: 4818000 120.722 -103.558 44.9519 -103.559 234.354 -111.006 44.9521 -111.005 112.054 GPRESSURE: 4818000 164.722 -81.4188 77.6064 -93.7047 289.539 -18.7173 46.5748 -118.69 109.805 PRESSAVG: 4818000 -17.5352 5.10624 10.3305 5.10627 -14.4607 -62.4818 10.3305 -62.4817 4.40565 GPRESSAVG: 4818000 -17.1295 7.12256 8.66689 3.3761 -14.5255 -62.1692 10.4702 -62.9735 4.31572 TIMING: 4818000 CPU: 14001.5, 0.00292198/step Wall: 14001.5, 0.00292198/step, 0.147722 hours remaining, 207.132812 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: 4818000 724.2211 1992.7226 1968.8364 102.0161 -205651.7095 17824.5017 0.0000 0.0000 34373.7442 -148665.6673 300.1945 -183039.4115 -148568.8797 300.2653 155.7100 188.0218 557472.7779 -9.1968 -9.1131 PRESSURE: 4818200 -137.866 38.4309 -7.21568 38.4298 -138.509 79.244 -7.21538 79.2435 -310.295 GPRESSURE: 4818200 -169.342 126.679 -27.0419 -11.9665 -75.1684 34.4806 -18.735 108.102 -244.746 PRESSAVG: 4818200 22.0098 -85.0618 39.4534 -85.0618 -67.2024 -29.7277 39.4534 -29.7276 16.0338 GPRESSAVG: 4818200 22.563 -86.4566 40.5909 -83.826 -66.8841 -27.5185 37.8047 -28.3717 15.5335 TIMING: 4818200 CPU: 14002.1, 0.00291866/step Wall: 14002.1, 0.00291866/step, 0.147392 hours remaining, 207.132812 MB of memory in use. ENERGY: 4818200 774.2971 2078.6165 1955.0795 121.8583 -205459.2568 17495.5564 0.0000 0.0000 34346.0587 -148687.7903 299.9527 -183033.8490 -148590.7513 300.7454 -195.5565 -163.0852 557948.1499 -9.7196 -9.5959 PRESSURE: 4818400 155.341 -66.4224 27.2393 -66.4222 -96.6504 -107.719 27.2385 -107.718 3.42141 GPRESSURE: 4818400 160.016 -4.63252 -18.8742 -184.701 -65.2291 -175.024 70.7053 -53.8993 38.2491 PRESSAVG: 4818400 30.9561 25.5654 52.9455 25.5653 -21.8364 -7.52869 52.9455 -7.52873 -18.3804 GPRESSAVG: 4818400 31.5864 24.8414 51.8089 26.0337 -21.9953 -8.4732 54.6448 -9.53389 -18.8044 TIMING: 4818400 CPU: 14002.7, 0.00290459/step Wall: 14002.7, 0.00290459/step, 0.14652 hours remaining, 207.132812 MB of memory in use. ENERGY: 4818400 701.1251 2089.7823 1960.9454 117.2392 -205785.4093 17772.2262 0.0000 0.0000 34392.0003 -148752.0907 300.3539 -183144.0910 -148648.5302 300.2830 20.7041 44.3453 559953.4915 -3.0869 -3.0711 PRESSURE: 4818600 -263.018 325.891 172.343 325.893 197.779 -37.6498 172.343 -37.6499 170.86 GPRESSURE: 4818600 -230.895 257.347 139.607 297.192 195.188 -78.0618 117.476 -0.369632 253.753 PRESSAVG: 4818600 -116.141 19.6514 34.0129 19.6515 12.0552 32.311 34.0129 32.3111 116.247 GPRESSAVG: 4818600 -118.001 20.5123 35.8117 17.1048 13.2809 31.9551 33.8957 34.0241 117.207 TIMING: 4818600 CPU: 14003.3, 0.00290273/step Wall: 14003.3, 0.00290273/step, 0.146266 hours remaining, 207.132812 MB of memory in use. ENERGY: 4818600 735.4494 2027.7059 1956.4812 116.4805 -205807.7482 17808.0895 0.0000 0.0000 34302.9730 -148860.5685 299.5764 -183163.5416 -148761.3206 300.4527 35.2070 72.6819 559548.5464 4.0538 4.1623 PRESSURE: 4818800 -153.722 88.6751 60.1754 88.6754 -9.01622 -8.52371 60.1756 -8.5244 112.321 GPRESSURE: 4818800 -113.801 129.438 100.831 92.1763 -36.6837 7.75057 -6.43931 -12.2123 191.493 PRESSAVG: 4818800 -13.4829 15.9454 1.92712 15.9454 -28.9864 -2.20698 1.92702 -2.2069 65.0756 GPRESSAVG: 4818800 -13.1358 15.7674 1.4086 18.8704 -30.2497 0.177993 2.04201 -3.54703 65.5286 TIMING: 4818800 CPU: 14003.9, 0.00289729/step Wall: 14003.9, 0.00289729/step, 0.14583 hours remaining, 207.132812 MB of memory in use. ENERGY: 4818800 700.1519 2077.0343 1956.7302 111.2269 -205923.2044 17833.2497 0.0000 0.0000 34444.1175 -148800.6939 300.8090 -183244.8114 -148700.1101 300.0059 -16.8059 13.6695 559951.9405 7.5355 7.3810 PRESSURE: 4819000 -36.5775 119.127 115.168 119.128 -81.9303 -131.524 115.167 -131.523 -255.458 GPRESSURE: 4819000 -1.44215 138.784 89.4418 111.826 -79.4025 -89.3553 112.226 -185.901 -202.421 PRESSAVG: 4819000 55.469 15.1953 72.4711 15.1953 -17.1161 -55.5518 72.4712 -55.5518 -15.4052 GPRESSAVG: 4819000 55.8961 14.3651 70.7413 13.7219 -16.8152 -58.9855 74.7538 -55.0928 -16.2895 TIMING: 4819000 CPU: 14004.4, 0.00291757/step Wall: 14004.4, 0.00291757/step, 0.146689 hours remaining, 207.132812 MB of memory in use. ENERGY: 4819000 712.9463 2121.0135 1957.8047 125.3890 -205733.9345 17762.0127 0.0000 0.0000 34226.8550 -148827.9132 298.9116 -183054.7682 -148729.1159 300.9055 -124.6554 -94.4220 561432.4808 7.6492 7.5971 PRESSURE: 4819200 -4.55832 90.0927 -72.437 90.0939 59.6185 -127.293 -72.4367 -127.293 72.4152 GPRESSURE: 4819200 44.8615 76.5172 -55.0874 41.688 102.123 -168.367 -80.8242 -88.2021 84.6703 PRESSAVG: 4819200 35.3566 30.1098 -23.3279 30.1098 -43.8601 -50.5675 -23.3279 -50.5675 25.5013 GPRESSAVG: 4819200 35.8041 31.7266 -22.8315 28.4318 -44.7005 -49.6003 -24.7768 -50.159 26.5501 TIMING: 4819200 CPU: 14005, 0.00293172/step Wall: 14005, 0.00293172/step, 0.147237 hours remaining, 207.132812 MB of memory in use. ENERGY: 4819200 767.8147 2113.8508 1960.4079 114.6176 -206358.5254 18032.4713 0.0000 0.0000 34440.3917 -148928.9713 300.7765 -183369.3631 -148837.9032 300.8257 42.4918 77.2181 559607.8552 5.6659 5.8846 PRESSURE: 4819400 -79.7651 -10.6565 15.5578 -10.6566 -329.141 35.6424 15.5581 35.6418 129.32 GPRESSURE: 4819400 -59.8796 -0.164515 8.94451 19.7259 -306.872 34.2588 0.0719711 -12.1048 177.046 PRESSAVG: 4819400 32.4551 50.6792 -22.4507 50.6792 -32.8491 -51.4208 -22.4508 -51.4208 -15.3678 GPRESSAVG: 4819400 31.8658 50.6017 -21.5881 51.2406 -32.1774 -49.8993 -22.0455 -51.666 -16.2124 TIMING: 4819400 CPU: 14005.6, 0.00291178/step Wall: 14005.6, 0.00291177/step, 0.146074 hours remaining, 207.132812 MB of memory in use. ENERGY: 4819400 782.9563 2096.4196 1938.8360 108.6685 -206335.5588 17837.6710 0.0000 0.0000 34609.6897 -148961.3177 302.2550 -183571.0074 -148869.1716 300.0206 -93.1953 -63.2353 558679.7450 -5.2539 -5.5080 PRESSURE: 4819600 -131.204 -20.9031 -50.3833 -20.9036 -132.936 130.953 -50.3839 130.955 -227.836 GPRESSURE: 4819600 -70.1924 -32.2445 -35.1219 -52.6081 -85.3503 159.945 -46.059 44.9319 -237.129 PRESSAVG: 4819600 -24.2207 5.05979 -21.7449 5.05973 -54.9218 -10.9989 -21.7448 -10.999 122.783 GPRESSAVG: 4819600 -23.5771 4.54322 -21.4093 7.10508 -54.7849 -11.6055 -23.3406 -12.6502 122.581 TIMING: 4819600 CPU: 14006.2, 0.00291415/step Wall: 14006.2, 0.00291415/step, 0.146031 hours remaining, 207.132812 MB of memory in use. ENERGY: 4819600 757.6049 2095.5362 1944.9197 130.1891 -205975.3511 17633.9520 0.0000 0.0000 34259.0938 -149154.0555 299.1932 -183413.1493 -149063.2071 300.4699 -163.9922 -130.8905 558994.2508 14.5469 14.7395 PRESSURE: 4819800 -34.6185 -147.705 -85.9467 -147.706 277.611 1.33111 -85.9461 1.33084 294.677 GPRESSURE: 4819800 16.8262 -117.227 -129.137 -160.576 342.12 22.6912 -123.542 -9.6536 261.936 PRESSAVG: 4819800 -32.325 3.14268 -66.2819 3.14269 -0.212242 -31.0785 -66.2819 -31.0786 17.3583 GPRESSAVG: 4819800 -30.824 2.84534 -65.132 0.16242 -1.81774 -31.8833 -65.3647 -29.276 17.2637 TIMING: 4819800 CPU: 14006.8, 0.0028984/step Wall: 14006.8, 0.0028984/step, 0.145081 hours remaining, 207.132812 MB of memory in use. ENERGY: 4819800 732.7937 2056.0984 1988.6687 119.5747 -206357.3331 18019.9943 0.0000 0.0000 34245.9611 -149194.2423 299.0785 -183440.2033 -149100.9408 299.3195 179.2231 206.9608 556004.4232 -5.0596 -5.1260 PRESSURE: 4820000 -89.659 6.40672 14.2846 6.40587 -25.5787 95.5661 14.284 95.5659 -356.917 GPRESSURE: 4820000 -66.0215 56.2589 13.8489 -38.4187 34.491 89.7894 33.7927 123.191 -334.014 PRESSAVG: 4820000 -19.4048 11.4454 2.34376 11.4453 75.8306 23.8796 2.34364 23.8794 -27.0487 GPRESSAVG: 4820000 -21.4341 11.3807 1.58075 12.6977 76.6977 23.4869 1.70468 24.933 -26.0122 TIMING: 4820000 CPU: 14007.3, 0.00289411/step Wall: 14007.3, 0.00289411/step, 0.144705 hours remaining, 207.132812 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: 4820000 741.3392 2068.1470 1950.7564 121.6094 -205884.2036 17644.5590 0.0000 0.0000 34161.9980 -149195.7947 298.3452 -183357.7926 -149106.8624 299.1212 -157.3849 -121.8482 559157.7198 9.7924 9.7504 PRESSURE: 4820200 -94.1232 -150.77 41.3986 -150.77 46.3037 246.292 41.3992 246.291 65.5448 GPRESSURE: 4820200 -11.3281 -186.831 70.8043 -60.7052 -6.91036 285.023 67.4878 129.694 130.58 PRESSAVG: 4820200 31.7172 15.3577 29.3692 15.3577 38.4584 53.9908 29.3692 53.9907 -32.6874 GPRESSAVG: 4820200 33.0075 14.4493 29.6893 15.7721 37.656 54.4335 30.9284 51.5 -32.9584 TIMING: 4820200 CPU: 14007.9, 0.00290812/step Wall: 14007.9, 0.00290812/step, 0.145244 hours remaining, 207.132812 MB of memory in use. ENERGY: 4820200 764.3734 2111.4522 1940.5501 108.3213 -205963.4708 17701.7233 0.0000 0.0000 34115.5936 -149221.4570 297.9400 -183337.0506 -149121.9178 299.1602 5.9084 37.4473 557108.5099 12.4961 12.5684 LDB: ============= START OF LOAD BALANCING ============== 14011.4 LDB: ============== END OF LOAD BALANCING =============== 14011.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14011.4 LDB: ============= START OF LOAD BALANCING ============== 14011.7 LDB: Largest compute 4848 load 0.030067 is 25.5% of average load 0.117789 LDB: Average compute 0.001736 is 1.5% of average load 0.117789 LDB: TIME 14011.7 LOAD: AVG 0.117789 MAX 0.188126 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.039 MB LDB: TIME 14011.7 LOAD: AVG 0.117789 MAX 0.188126 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: TIME 14011.7 LOAD: AVG 0.117789 MAX 0.188126 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.145 MB LDB: ============== END OF LOAD BALANCING =============== 14011.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14011.7 PRESSURE: 4820400 -259.162 -17.7682 -86.1093 -17.7691 -81.613 -70.4216 -86.1096 -70.4228 -153.483 GPRESSURE: 4820400 -284.475 -2.15724 -50.899 -43.367 2.995 -76.2399 -128.383 -75.154 -107.51 PRESSAVG: 4820400 -14.8858 -37.0806 35.5509 -37.0804 23.0327 -18.6198 35.5508 -18.6198 -1.77583 GPRESSAVG: 4820400 -15.2497 -37.9813 35.0011 -39.7449 23.8869 -17.7572 34.8723 -16.7959 -1.70138 TIMING: 4820400 CPU: 14008.5, 0.0029506/step Wall: 14008.5, 0.0029506/step, 0.147202 hours remaining, 210.175781 MB of memory in use. ENERGY: 4820400 737.2339 2097.6946 1947.5524 120.1725 -205954.8430 17602.0890 0.0000 0.0000 34256.3919 -149193.7087 299.1696 -183450.1005 -149101.1991 299.2528 -164.7526 -129.6632 557116.1911 2.1237 2.3119 PRESSURE: 4820600 -158.396 -65.3092 159.712 -65.3096 -109.826 32.7224 159.712 32.7215 -46.1669 GPRESSURE: 4820600 -140.761 -114.505 91.3538 -135.799 -85.3036 -32.5084 163.367 48.774 13.5098 PRESSAVG: 4820600 -25.2224 -0.314004 32.795 -0.313937 -55.554 -16.4369 32.795 -16.4369 33.1787 GPRESSAVG: 4820600 -24.0111 1.52108 34.2966 0.657015 -55.2411 -16.1133 32.8241 -16.3564 31.8543 TIMING: 4820600 CPU: 14009.1, 0.00289778/step Wall: 14009.1, 0.00289779/step, 0.144406 hours remaining, 210.484375 MB of memory in use. ENERGY: 4820600 755.1294 2067.9838 1964.0188 111.9827 -205934.9322 17638.1484 0.0000 0.0000 34216.2922 -149181.3768 298.8194 -183397.6690 -149081.9774 299.5419 -104.7961 -70.8516 556836.7565 -15.8659 -15.7993 PRESSURE: 4820800 -214.872 -40.4312 -12.1937 -40.4309 -41.9733 223.392 -12.194 223.392 -10.8406 GPRESSURE: 4820800 -228.127 -35.75 -0.0106887 -30.6648 -0.814301 174.321 20.6325 268.977 63.5058 PRESSAVG: 4820800 -13.1708 4.66605 10.7999 4.66609 -45.3048 -42.5213 10.7999 -42.5214 74.9574 GPRESSAVG: 4820800 -13.9761 5.26066 11.2726 3.4281 -45.8322 -44.4424 10.4077 -42.1361 75.8998 TIMING: 4820800 CPU: 14009.7, 0.00289714/step Wall: 14009.7, 0.00289714/step, 0.144213 hours remaining, 210.484375 MB of memory in use. ENERGY: 4820800 774.6029 2049.5252 1931.6622 119.4982 -206438.1390 17907.3499 0.0000 0.0000 34396.5392 -149258.9613 300.3935 -183655.5005 -149160.1489 299.8020 -89.2286 -55.1452 558804.1289 5.4940 5.3638 PRESSURE: 4821000 -258.144 164.612 11.4836 164.612 144.504 78.2943 11.4829 78.2938 192.176 GPRESSURE: 4821000 -153.484 215.939 27.9803 114.106 142.864 -0.606723 75.5485 139.054 194.27 PRESSAVG: 4821000 38.1524 23.5412 -9.0603 23.5412 33.3918 -9.27193 -9.06034 -9.2718 -15.694 GPRESSAVG: 4821000 39.184 20.7671 -9.62844 26.526 32.3511 -7.83043 -9.75152 -9.32756 -15.5273 TIMING: 4821000 CPU: 14010.3, 0.00289459/step Wall: 14010.3, 0.00289459/step, 0.143926 hours remaining, 210.484375 MB of memory in use. ENERGY: 4821000 735.5600 2101.1728 1967.5688 110.6164 -206331.0830 17925.3194 0.0000 0.0000 34386.3834 -149104.4622 300.3048 -183490.8457 -149011.4370 299.0576 26.1788 61.2169 557346.0614 18.6167 18.6693 PRESSURE: 4821200 -117.987 10.1529 51.5858 10.1522 -196.023 -239.499 51.5854 -239.498 -104.18 GPRESSURE: 4821200 -109.979 7.82247 28.8378 -11.3675 -167.339 -214.511 128.643 -232.423 -41.1368 PRESSAVG: 4821200 -34.8001 1.79168 -6.07461 1.79161 33.2283 -47.8778 -6.07457 -47.8779 -8.58767 GPRESSAVG: 4821200 -35.6711 4.04536 -5.95814 -1.1977 33.8869 -48.5579 -7.47341 -46.7568 -8.95109 TIMING: 4821200 CPU: 14010.8, 0.00289041/step Wall: 14010.8, 0.00289041/step, 0.143557 hours remaining, 210.484375 MB of memory in use. ENERGY: 4821200 762.1150 2113.1344 1938.8150 116.9847 -206140.7097 17765.3255 0.0000 0.0000 34339.9495 -149104.3856 299.8993 -183444.3351 -149009.4557 299.4034 -139.3966 -106.1517 558653.3667 -3.3865 -3.5784 PRESSURE: 4821400 85.4309 -24.4555 -49.416 -24.4547 -68.9774 -28.6891 -49.4172 -28.6906 -313.936 GPRESSURE: 4821400 109.563 -90.5361 -34.4706 -67.7666 10.8049 -21.9876 -109.614 -35.5759 -308.053 PRESSAVG: 4821400 48.3271 20.0649 -37.3028 20.0649 -15.3057 -22.7428 -37.3028 -22.7428 1.23195 GPRESSAVG: 4821400 47.9003 18.8881 -38.128 19.3466 -14.7601 -21.1902 -35.072 -24.8215 1.13137 TIMING: 4821400 CPU: 14011.4, 0.00292002/step Wall: 14011.4, 0.00292002/step, 0.144866 hours remaining, 210.484375 MB of memory in use. ENERGY: 4821400 787.8381 2157.0424 1948.0000 109.4045 -206003.0878 17658.3557 0.0000 0.0000 34139.1702 -149203.2769 298.1459 -183342.4471 -149099.9074 300.0480 -99.1610 -62.5618 556960.5325 11.4178 11.4238 PRESSURE: 4821600 26.9784 -89.2859 -19.5718 -89.2862 21.0593 -129.913 -19.5723 -129.912 -33.3103 GPRESSURE: 4821600 46.5713 -75.1279 -3.5786 -47.1085 10.8192 -123.278 13.1701 -115.718 48.6887 PRESSAVG: 4821600 45.141 -15.1891 -7.41652 -15.1891 24.5469 44.466 -7.41676 44.466 -87.3228 GPRESSAVG: 4821600 45.8682 -14.4709 -6.80151 -12.6256 23.9665 43.2052 -8.11072 44.6931 -87.2879 TIMING: 4821600 CPU: 14012, 0.00292292/step Wall: 14012, 0.00292292/step, 0.144847 hours remaining, 210.484375 MB of memory in use. ENERGY: 4821600 763.1851 2148.2096 1945.1538 108.2597 -206150.4886 17865.6529 0.0000 0.0000 34088.8498 -149231.1776 297.7064 -183320.0274 -149138.0001 299.1699 4.9091 35.3598 555914.3703 -5.8783 -5.8177 PRESSURE: 4821800 -55.0302 6.20946 81.1125 6.20935 -151.673 -116.259 81.1133 -116.261 56.3284 GPRESSURE: 4821800 2.34919 5.02197 -17.42 -22.1378 -112.176 -60.2605 133.289 -44.3081 48.1793 PRESSAVG: 4821800 95.1948 -21.3661 -41.4757 -21.3661 -11.2069 9.98942 -41.4757 9.98936 -17.9701 GPRESSAVG: 4821800 93.8719 -21.9288 -43.2477 -20.6787 -11.2079 11.2984 -42.3167 10.719 -17.2602 TIMING: 4821800 CPU: 14012.6, 0.00292305/step Wall: 14012.6, 0.00292305/step, 0.144691 hours remaining, 210.484375 MB of memory in use. ENERGY: 4821800 772.8110 2080.5022 1958.2359 115.5884 -206316.0451 17776.7464 0.0000 0.0000 34419.2511 -149192.9101 300.5919 -183612.1612 -149094.2701 299.7548 -50.1251 -20.5492 557273.4633 22.0059 21.8013 PRESSURE: 4822000 7.79764 46.865 -30.4707 46.8656 58.0457 -11.6153 -30.4711 -11.6136 339.666 GPRESSURE: 4822000 -0.460531 87.5142 -49.9313 74.5306 173.473 44.9446 -16.8921 -84.6701 323.462 PRESSAVG: 4822000 -45.3644 33.8534 -33.8229 33.8533 8.63063 -40.9041 -33.8228 -40.904 30.3973 GPRESSAVG: 4822000 -44.9545 34.0382 -32.1135 33.8463 8.04744 -42.8114 -32.8485 -41.1714 30.9437 TIMING: 4822000 CPU: 14013.2, 0.00290348/step Wall: 14013.2, 0.00290348/step, 0.143561 hours remaining, 210.484375 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: 4822000 713.6863 2175.5049 1974.2981 113.0519 -206296.1488 17981.0415 0.0000 0.0000 34049.1715 -149289.3947 297.3599 -183338.5662 -149193.9070 298.8527 135.1698 165.4917 558187.5091 -2.1122 -1.9878 PRESSURE: 4822200 -288.361 117.017 -127.725 117.017 -176.561 -85.0972 -127.726 -85.0989 -262.274 GPRESSURE: 4822200 -236.886 122.591 -7.86199 112.608 -150.28 -130.373 -116.455 -2.1366 -249.839 PRESSAVG: 4822200 -45.4343 2.47928 25.6899 2.47925 39.8661 -21.4047 25.6899 -21.4046 0.687155 GPRESSAVG: 4822200 -44.4639 4.23333 23.0783 2.94994 40.1857 -19.1754 26.3008 -21.432 -0.261948 TIMING: 4822200 CPU: 14013.8, 0.00291415/step Wall: 14013.8, 0.00291415/step, 0.143926 hours remaining, 210.484375 MB of memory in use. ENERGY: 4822200 738.3308 2096.3598 1954.3549 111.8306 -205967.5266 17531.4049 0.0000 0.0000 34357.5921 -149177.6534 300.0534 -183535.2456 -149077.9675 298.8076 -242.3989 -212.3350 559930.8212 -1.6270 -1.5134 PRESSURE: 4822400 -47.2827 11.8435 114.162 11.8441 15.7718 -33.5413 114.163 -33.5421 -284.997 GPRESSURE: 4822400 -47.7858 31.7049 121.013 36.3741 131.412 53.1701 83.4758 -25.966 -307.591 PRESSAVG: 4822400 -6.87009 19.4185 45.0107 19.4185 -30.6939 -35.4081 45.0106 -35.4081 45.4136 GPRESSAVG: 4822400 -8.51711 17.8145 47.9321 17.375 -29.2912 -35.9597 43.2914 -35.6647 45.5205 TIMING: 4822400 CPU: 14014.3, 0.00291301/step Wall: 14014.3, 0.00291301/step, 0.143708 hours remaining, 210.484375 MB of memory in use. ENERGY: 4822400 750.9134 2084.0397 1958.4145 124.5403 -206217.3634 17798.6470 0.0000 0.0000 34270.6664 -149230.1421 299.2943 -183500.8085 -149131.8287 299.1140 -105.5026 -74.6548 559387.6358 2.6165 2.5707 PRESSURE: 4822600 -17.4144 105.5 101.49 105.5 -104.522 69.2404 101.49 69.2426 -81.7685 GPRESSURE: 4822600 -16.3544 105.058 132.989 50.3065 -45.3064 48.2965 124.179 87.2664 -44.3157 PRESSAVG: 4822600 -28.0301 8.74126 17.1014 8.7413 31.339 14.872 17.1014 14.872 4.05709 GPRESSAVG: 4822600 -27.1949 8.81864 16.0433 7.92768 29.5135 17.713 19.4719 14.5509 5.89617 TIMING: 4822600 CPU: 14014.9, 0.00290144/step Wall: 14014.9, 0.00290144/step, 0.142976 hours remaining, 210.554688 MB of memory in use. ENERGY: 4822600 792.9002 2069.1210 1947.8403 115.5265 -206121.4992 17784.1092 0.0000 0.0000 34386.8120 -149025.1901 300.3086 -183412.0020 -148932.5666 299.8383 -67.9015 -35.3255 558787.6179 2.4553 2.7382 PRESSURE: 4822800 18.7353 -39.6943 41.9786 -39.6953 -310.929 149.982 41.979 149.981 -41.8805 GPRESSURE: 4822800 27.7359 -66.9568 -38.6079 -68.2479 -298.128 139.824 45.4151 96.6277 35.4994 PRESSAVG: 4822800 27.671 34.9627 -17.5608 34.9628 -86.0736 61.3394 -17.561 61.3394 32.2329 GPRESSAVG: 4822800 28.0096 35.0851 -17.5718 36.1138 -85.1445 58.3356 -18.1143 61.9064 31.4022 TIMING: 4822800 CPU: 14015.5, 0.00291511/step Wall: 14015.5, 0.00291511/step, 0.143488 hours remaining, 210.554688 MB of memory in use. ENERGY: 4822800 757.5469 2171.3304 1952.9217 113.4209 -206188.5001 17840.2189 0.0000 0.0000 34238.5184 -149114.5429 299.0135 -183353.0613 -149013.6030 299.5062 -111.3581 -78.2977 560217.3232 -8.7232 -8.5776 PRESSURE: 4823000 8.95302 -6.08301 -57.774 -6.08374 97.3929 108.055 -57.7741 108.057 -0.963179 GPRESSURE: 4823000 59.1323 51.5627 -53.8471 -95.3744 142.469 3.82195 29.7468 213.227 9.01124 PRESSAVG: 4823000 44.6928 16.6774 -4.04663 16.6776 -52.3123 50.2415 -4.04655 50.2415 -45.0711 GPRESSAVG: 4823000 45.4347 17.1415 -2.86217 14.2703 -53.3534 49.8062 -3.36749 51.4429 -45.1771 TIMING: 4823000 CPU: 14016.1, 0.00292652/step Wall: 14016.1, 0.00292652/step, 0.143887 hours remaining, 210.554688 MB of memory in use. ENERGY: 4823000 751.7404 2139.2330 1925.1015 115.1961 -206388.9649 18108.4255 0.0000 0.0000 34362.5478 -148986.7206 300.0967 -183349.2684 -148889.8926 299.8690 35.1276 70.2043 557767.0319 -17.5635 -17.6986 PRESSURE: 4823200 -134.009 -22.5375 -9.99951 -22.5381 -42.7606 84.4985 -9.99992 84.4985 -418.739 GPRESSURE: 4823200 -114.827 -53.6953 -46.4594 28.1635 -6.093 53.9487 7.1032 47.2027 -376.824 PRESSAVG: 4823200 15.2885 14.0705 -7.98332 14.0704 -50.8667 32.5407 -7.98329 32.5407 19.3562 GPRESSAVG: 4823200 14.7436 13.6713 -7.82777 16.2515 -50.6812 32.6572 -9.48095 34.1924 19.7114 TIMING: 4823200 CPU: 14016.7, 0.00290717/step Wall: 14016.7, 0.00290717/step, 0.142774 hours remaining, 210.554688 MB of memory in use. ENERGY: 4823200 759.8894 2104.4026 1916.8467 109.9171 -206139.4649 17686.8117 0.0000 0.0000 34541.8132 -149019.7842 301.6622 -183561.5974 -148918.6829 299.8761 -198.5030 -165.9147 558668.1498 -5.4073 -5.4087 PRESSURE: 4823400 217.779 48.6732 -59.8998 48.6742 241.2 -85.1854 -59.8988 -85.1853 -36.8005 GPRESSURE: 4823400 216.195 25.1754 -18.2044 69.6601 290.851 -64.1657 -32.1783 -125.792 14.8687 PRESSAVG: 4823400 -8.43975 -16.6772 -19.0426 -16.6772 59.4035 -15.1409 -19.0426 -15.1409 -25.5096 GPRESSAVG: 4823400 -8.29583 -16.0591 -18.6955 -14.6726 59.5374 -13.5115 -17.403 -17.2209 -25.6279 TIMING: 4823400 CPU: 14017.2, 0.00288586/step Wall: 14017.2, 0.00288586/step, 0.141567 hours remaining, 210.554688 MB of memory in use. ENERGY: 4823400 753.0429 2108.0530 1951.5133 114.9594 -206450.0373 18088.1585 0.0000 0.0000 34177.1000 -149257.2102 298.4771 -183434.3102 -149157.5187 299.8697 140.7259 173.9713 556986.6956 8.4847 8.5379 PRESSURE: 4823600 -67.4785 -121.043 -102.577 -121.042 56.5931 60.8063 -102.577 60.8086 31.3789 GPRESSURE: 4823600 -40.0034 -83.8971 -103.22 -193.164 84.0418 152.631 -132.432 50.9786 80.287 PRESSAVG: 4823600 9.33006 31.3323 3.13874 31.3323 -0.693939 2.34893 3.13872 2.34907 -2.6158 GPRESSAVG: 4823600 9.34247 32.023 2.17371 28.5429 -2.26357 2.09122 2.10273 1.57441 -1.50716 TIMING: 4823600 CPU: 14017.8, 0.00290478/step Wall: 14017.8, 0.00290478/step, 0.142334 hours remaining, 210.554688 MB of memory in use. ENERGY: 4823600 772.0686 2086.0499 1952.4014 117.3998 -206393.3744 17905.5640 0.0000 0.0000 34377.7648 -149182.1259 300.2296 -183559.8907 -149086.2666 299.5511 6.8312 41.4418 556214.1016 2.0068 1.8572 PRESSURE: 4823800 -38.5049 -56.6594 150.501 -56.6596 -220.571 -142.229 150.5 -142.23 -194.301 GPRESSURE: 4823800 -9.68538 -53.1546 118.634 -96.2332 -146.626 -213.25 207.194 -99.7834 -200.706 PRESSAVG: 4823800 -6.82231 -5.25979 47.3586 -5.25973 -6.24629 37.6075 47.3586 37.6075 13.792 GPRESSAVG: 4823800 -6.97197 -6.1424 47.7877 -5.53386 -4.4632 37.4947 48.1254 36.7077 12.3101 TIMING: 4823800 CPU: 14018.4, 0.00288721/step Wall: 14018.4, 0.00288721/step, 0.141313 hours remaining, 210.554688 MB of memory in use. ENERGY: 4823800 741.5478 2139.6050 1949.1473 116.1712 -205866.5195 17486.9098 0.0000 0.0000 34343.3704 -149089.7679 299.9292 -183433.1383 -148998.0609 300.4121 -151.1257 -119.0059 557223.0749 0.2411 0.2916 PRESSURE: 4824000 -61.5672 135.901 -62.5758 135.901 227.21 103.647 -62.576 103.647 116.715 GPRESSURE: 4824000 -33.1304 86.1386 -29.983 176.617 255.129 110.452 -33.8358 76.8118 166.51 PRESSAVG: 4824000 -52.8891 6.32788 -15.7954 6.32782 13.6688 35.9465 -15.7954 35.9466 12.1844 GPRESSAVG: 4824000 -53.37 5.98964 -15.1702 4.25946 13.3346 36.6338 -15.9289 36.3226 13.2116 TIMING: 4824000 CPU: 14019, 0.00291102/step Wall: 14019, 0.00291102/step, 0.142317 hours remaining, 210.554688 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: 4824000 772.0798 2156.1383 1924.2953 122.2259 -206547.5243 17892.2962 0.0000 0.0000 34295.4025 -149385.0863 299.5103 -183680.4888 -149292.6352 299.4329 94.1191 129.5028 554242.4207 -9.0120 -8.9413 PRESSURE: 4824200 147.751 -35.9019 7.41853 -35.9028 212.757 -33.0834 7.41678 -33.0845 208.818 GPRESSURE: 4824200 148.278 -116.049 97.7332 -2.17467 232.157 -3.95098 -31.1371 -26.123 275.178 PRESSAVG: 4824200 -25.2937 -20.0391 14.9363 -20.0391 -2.98278 17.2346 14.9363 17.2344 49.157 GPRESSAVG: 4824200 -25.5892 -21.9444 13.8106 -14.9512 -3.7606 15.0346 13.9168 18.0343 49.2959 TIMING: 4824200 CPU: 14019.6, 0.00292985/step Wall: 14019.6, 0.00292985/step, 0.143074 hours remaining, 210.554688 MB of memory in use. ENERGY: 4824200 774.4504 2123.9635 1957.6022 126.8094 -207046.1256 18248.3889 0.0000 0.0000 34352.1634 -149462.7478 300.0060 -183814.9112 -149373.4294 299.2182 189.7755 218.5376 555757.5517 6.9602 6.6487 LDB: ============= START OF LOAD BALANCING ============== 14023 LDB: ============== END OF LOAD BALANCING =============== 14023 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14023 LDB: ============= START OF LOAD BALANCING ============== 14023.3 LDB: Largest compute 4848 load 0.031338 is 26.6% of average load 0.117891 LDB: Average compute 0.001731 is 1.5% of average load 0.117891 LDB: TIME 14023.3 LOAD: AVG 0.117891 MAX 0.189676 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 210.078 MB LDB: TIME 14023.3 LOAD: AVG 0.117891 MAX 0.189676 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.078 MB LDB: TIME 14023.3 LOAD: AVG 0.117891 MAX 0.189676 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 210.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14023.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14023.3 PRESSURE: 4824400 20.353 119.117 85.6782 119.118 -43.3751 62.3817 85.6773 62.383 -39.7249 GPRESSURE: 4824400 99.031 127.861 76.7435 189.063 0.716518 130.05 106.628 103.517 -72.3363 PRESSAVG: 4824400 -24.0846 -13.8473 7.63072 -13.8473 40.9996 37.4176 7.63063 37.4177 -28.7282 GPRESSAVG: 4824400 -23.0885 -12.4329 7.45301 -16.2259 39.9747 39.7147 6.31216 39.4994 -28.5608 TIMING: 4824400 CPU: 14020.2, 0.00297192/step Wall: 14020.2, 0.00297192/step, 0.144964 hours remaining, 206.902344 MB of memory in use. ENERGY: 4824400 748.7282 2088.8578 1942.3699 113.2888 -206281.5208 17781.5942 0.0000 0.0000 34195.9082 -149410.7738 298.6414 -183606.6820 -149321.9280 298.8880 -20.9156 9.1371 557926.5326 -3.9377 -3.8915 PRESSURE: 4824600 36.1232 148.446 29.5396 148.444 204.25 -202.77 29.5398 -202.772 89.6075 GPRESSURE: 4824600 112.029 180.581 90.6137 122.354 212.864 -143.597 -65.9702 -263.769 105.002 PRESSAVG: 4824600 -43.985 -34.8869 -32.0171 -34.8869 5.15433 -38.3596 -32.0171 -38.3596 30.485 GPRESSAVG: 4824600 -44.9455 -33.5683 -29.7319 -35.058 5.32159 -40.3337 -31.7563 -40.4643 30.9813 TIMING: 4824600 CPU: 14020.8, 0.00293841/step Wall: 14020.8, 0.00293841/step, 0.143166 hours remaining, 207.144531 MB of memory in use. ENERGY: 4824600 755.0236 2049.2791 1969.2449 118.2830 -206358.2178 17870.8628 0.0000 0.0000 34148.3030 -149447.2214 298.2256 -183595.5244 -149355.0630 298.3535 109.9936 143.2984 555728.1260 -2.7819 -2.8809 PRESSURE: 4824800 -191.558 -43.4251 -58.8374 -43.4251 137.018 28.8014 -58.8371 28.8026 -69.8522 GPRESSURE: 4824800 -173.521 -70.4862 -74.2835 -56.1087 212.066 32.9478 -115.994 -6.69763 -64.8165 PRESSAVG: 4824800 3.51385 19.1403 -44.1531 19.1404 -4.08005 -32.0075 -44.1532 -32.0075 30.8246 GPRESSAVG: 4824800 4.18107 18.6202 -45.2763 19.3352 -4.27277 -30.8581 -42.1537 -31.0264 30.359 TIMING: 4824800 CPU: 14021.3, 0.00293427/step Wall: 14021.3, 0.00293427/step, 0.142801 hours remaining, 207.144531 MB of memory in use. ENERGY: 4824800 771.5649 2092.6748 1947.6955 109.8584 -206313.2848 17813.1501 0.0000 0.0000 34307.0873 -149271.2538 299.6123 -183578.3411 -149181.1806 298.6295 -41.4643 -8.7570 556842.5142 10.0861 10.0891 PRESSURE: 4825000 70.7039 -178.623 83.0573 -178.623 157.584 -92.4687 83.0574 -92.4696 -16.0591 GPRESSURE: 4825000 75.3957 -130.853 127.95 -144.241 177.563 -191.644 25.5195 -61.7978 56.4466 PRESSAVG: 4825000 16.1646 15.2319 -16.0755 15.232 47.2439 -29.6936 -16.0755 -29.6936 -15.4865 GPRESSAVG: 4825000 16.0621 14.5553 -16.8882 16.5006 46.194 -30.2777 -16.1238 -29.8227 -14.6109 TIMING: 4825000 CPU: 14021.9, 0.0029238/step Wall: 14021.9, 0.0029238/step, 0.142129 hours remaining, 207.144531 MB of memory in use. ENERGY: 4825000 753.6700 2077.1037 1929.0124 129.6535 -206322.3456 18020.3262 0.0000 0.0000 34339.1352 -149073.4445 299.8922 -183412.5797 -148983.6495 299.8158 70.7429 103.1352 557269.5723 15.9740 15.8817 PRESSURE: 4825200 -58.4384 26.7321 -14.189 26.7318 -148.108 -2.43661 -14.1893 -2.43643 -47.8133 GPRESSURE: 4825200 -11.3819 72.2344 -31.5347 0.922488 -146.304 1.5859 11.2791 -24.0627 0.349482 PRESSAVG: 4825200 -7.3814 -23.6296 -20.8606 -23.6296 -64.3846 19.8481 -20.8608 19.848 53.9143 GPRESSAVG: 4825200 -8.63218 -22.7316 -22.5672 -24.8158 -62.6429 20.0573 -20.5703 19.5981 53.1086 TIMING: 4825200 CPU: 14022.5, 0.00291715/step Wall: 14022.5, 0.00291715/step, 0.141644 hours remaining, 207.144531 MB of memory in use. ENERGY: 4825200 748.2376 2080.4467 1963.8215 105.3494 -205939.5123 17724.4752 0.0000 0.0000 34093.0966 -149224.0854 297.7435 -183317.1820 -149116.5579 299.0805 -84.7865 -52.4455 557211.7158 -5.9506 -6.0555 PRESSURE: 4825400 -98.6853 36.4896 -203.5 36.4908 22.8801 -147.852 -203.502 -147.851 107.706 GPRESSURE: 4825400 -72.604 15.3185 -242.105 16.6219 2.36324 -200.617 -187.327 -128.418 197.895 PRESSAVG: 4825400 -14.1761 4.61458 -43.7371 4.61463 -25.041 24.8917 -43.7371 24.8917 58.3557 GPRESSAVG: 4825400 -13.1808 3.98407 -40.7984 4.35521 -26.3252 27.2174 -46.6057 22.9139 58.9802 TIMING: 4825400 CPU: 14023.1, 0.00293994/step Wall: 14023.1, 0.00293994/step, 0.142587 hours remaining, 207.437500 MB of memory in use. ENERGY: 4825400 753.4522 2084.1699 1939.2621 111.6216 -206489.8209 17932.9296 0.0000 0.0000 34371.6552 -149296.7304 300.1762 -183668.3856 -149201.7582 299.6927 10.6337 42.5515 558831.3768 6.3796 6.4914 PRESSURE: 4825600 -70.5458 -141.24 44.5338 -141.239 183.293 -6.62796 44.5337 -6.62581 125.367 GPRESSURE: 4825600 -19.0099 -120.909 1.28321 -144.176 157.772 -18.6701 56.3843 -22.406 203.762 PRESSAVG: 4825600 -42.633 -26.6169 -77.7821 -26.6169 0.311857 20.4815 -77.7822 20.4816 42.1002 GPRESSAVG: 4825600 -44.415 -27.1033 -81.1334 -26.2458 3.01717 19.1052 -73.7025 22.056 41.0223 TIMING: 4825600 CPU: 14023.7, 0.00291328/step Wall: 14023.7, 0.00291328/step, 0.141132 hours remaining, 207.437500 MB of memory in use. ENERGY: 4825600 712.6387 2060.5602 1934.8804 108.9530 -206340.2261 17992.5691 0.0000 0.0000 34140.4485 -149390.1762 298.1570 -183530.6248 -149298.2837 299.3315 79.3713 114.1749 558372.7117 -0.0736 -0.1252 PRESSURE: 4825800 -65.1361 -6.29551 194.484 -6.29435 -122.128 -57.6864 194.484 -57.6869 189.55 GPRESSURE: 4825800 12.3878 -24.2975 111.543 2.10846 -109.23 -111.021 127.313 -49.791 197.885 PRESSAVG: 4825800 -35.8633 -101.305 33.8435 -101.305 19.2757 37.8904 33.8436 37.8904 26.7949 GPRESSAVG: 4825800 -34.2898 -100.611 34.6311 -101.901 18.2133 39.0342 30.6748 38.9432 26.0695 TIMING: 4825800 CPU: 14024.3, 0.00290529/step Wall: 14024.3, 0.00290529/step, 0.140584 hours remaining, 207.437500 MB of memory in use. ENERGY: 4825800 728.3087 2050.7149 1957.7534 108.7797 -206462.8576 18065.2001 0.0000 0.0000 34115.1214 -149436.9794 297.9358 -183552.1008 -149334.4588 299.2261 0.7620 33.6809 556639.1023 3.4024 3.3310 PRESSURE: 4826000 90.013 35.0809 71.4468 35.0809 -94.4206 -40.8868 71.4478 -40.8885 -148.25 GPRESSURE: 4826000 113.909 27.5891 134.18 2.75948 -55.745 -74.2372 25.0673 -35.2998 -123.893 PRESSAVG: 4826000 -2.98947 -17.8271 23.2452 -17.8272 3.6423 1.47691 23.2451 1.47688 20.0421 GPRESSAVG: 4826000 -3.28605 -17.9106 22.6563 -17.6371 3.21976 0.03139 24.7314 1.43074 20.7092 TIMING: 4826000 CPU: 14024.8, 0.00289927/step Wall: 14024.8, 0.00289927/step, 0.140131 hours remaining, 207.437500 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: 4826000 757.8956 2080.2940 1920.4245 115.0925 -206189.1382 17817.8466 0.0000 0.0000 34172.2233 -149325.3617 298.4345 -183497.5850 -149230.5445 298.6207 -50.8857 -21.9096 557343.8822 6.8983 6.8810 PRESSURE: 4826200 -140.047 -91.6161 -31.7942 -91.6171 64.345 -82.4211 -31.7939 -82.4217 -24.0549 GPRESSURE: 4826200 -142.427 -148.218 -33.0764 -63.4068 89.9784 -86.0821 -9.35125 -118.849 32.2724 PRESSAVG: 4826200 -62.423 -5.10831 0.863474 -5.10824 26.7975 5.9479 0.863382 5.9478 20.4924 GPRESSAVG: 4826200 -61.9882 -4.3685 4.00436 -4.27317 26.608 8.21485 0.238169 5.18287 19.9937 TIMING: 4826200 CPU: 14025.4, 0.00290377/step Wall: 14025.4, 0.00290377/step, 0.140187 hours remaining, 207.437500 MB of memory in use. ENERGY: 4826200 753.6646 2106.4857 1946.1722 114.1163 -206269.9735 17783.5994 0.0000 0.0000 34309.6567 -149256.2786 299.6348 -183565.9352 -149151.5422 299.1519 -33.2522 -6.7254 557348.9084 -5.0444 -5.1288 PRESSURE: 4826400 44.7866 -73.2673 61.96 -73.2669 -198.872 -72.1896 61.9591 -72.19 -121.502 GPRESSURE: 4826400 58.0224 -35.7368 -3.70539 -62.0005 -148.927 -51.0009 90.9115 -77.8395 -94.2175 PRESSAVG: 4826400 -61.9698 -33.0361 -18.1535 -33.0361 42.011 -28.7946 -18.1533 -28.7945 4.01808 GPRESSAVG: 4826400 -62.2629 -33.9868 -18.604 -32.7445 42.3157 -29.7304 -17.1798 -30.0658 3.90182 TIMING: 4826400 CPU: 14026, 0.00291596/step Wall: 14026, 0.00291596/step, 0.140614 hours remaining, 207.437500 MB of memory in use. ENERGY: 4826400 785.0682 2099.7329 1927.8062 115.6191 -206465.1071 17936.9180 0.0000 0.0000 34312.7651 -149287.1976 299.6619 -183599.9627 -149198.9593 299.0346 -91.8625 -61.7073 559688.1524 -5.3135 -5.3484 PRESSURE: 4826600 32.6318 -80.4039 -26.1502 -80.4029 188.247 -6.17626 -26.1506 -6.17401 -77.1657 GPRESSURE: 4826600 56.7805 -177.595 -28.8961 -74.1363 238.18 35.5637 -36.3158 53.4046 -41.2494 PRESSAVG: 4826600 19.769 -0.657318 -9.69735 -0.657323 36.7398 40.3467 -9.69737 40.3468 -38.3458 GPRESSAVG: 4826600 19.8912 -0.7322 -11.7367 -1.28413 36.9561 41.1807 -10.1252 43.829 -38.3009 TIMING: 4826600 CPU: 14026.6, 0.00291285/step Wall: 14026.6, 0.00291285/step, 0.140302 hours remaining, 207.437500 MB of memory in use. ENERGY: 4826600 771.7505 2098.7377 1915.4725 114.8017 -206486.8746 17986.8139 0.0000 0.0000 34365.0423 -149234.2561 300.1185 -183599.2984 -149142.7323 299.5444 47.9043 84.5704 558892.8117 6.0543 6.1821 PRESSURE: 4826800 -43.2946 -38.3409 -29.5225 -38.3423 26.5517 130.645 -29.5225 130.645 -260.026 GPRESSURE: 4826800 6.71493 -57.464 -27.3382 -37.5853 81.4975 199.185 -114.208 32.152 -268.082 PRESSAVG: 4826800 14.4877 -46.1605 16.1041 -46.1605 15.4444 10.025 16.1041 10.025 -44.4233 GPRESSAVG: 4826800 12.94 -47.1189 15.8638 -45.1239 16.717 7.51061 15.3315 8.21594 -44.0075 TIMING: 4826800 CPU: 14027.2, 0.00292348/step Wall: 14027.2, 0.00292348/step, 0.140652 hours remaining, 207.437500 MB of memory in use. ENERGY: 4826800 772.9346 2111.0610 1916.5118 121.8580 -205887.2730 17587.8612 0.0000 0.0000 33974.7000 -149402.3463 296.7095 -183377.0463 -149314.4834 298.4776 -92.2564 -59.9565 557298.9451 -4.8304 -4.7835 PRESSURE: 4827000 -19.8229 -4.06749 103.692 -4.06596 62.64 53.4033 103.692 53.4027 -153.307 GPRESSURE: 4827000 13.7505 -28.9867 128.694 0.924955 104.937 76.9594 83.4506 7.55237 -134.773 PRESSAVG: 4827000 30.3218 16.7631 36.966 16.763 4.11879 -16.6073 36.966 -16.6073 -41.9827 GPRESSAVG: 4827000 31.6061 16.9008 38.0894 17.7499 3.93685 -14.9399 37.9785 -15.8442 -42.7547 TIMING: 4827000 CPU: 14027.8, 0.00292369/step Wall: 14027.8, 0.00292369/step, 0.140499 hours remaining, 207.437500 MB of memory in use. ENERGY: 4827000 715.5395 2112.4283 1942.2752 95.6958 -206287.9991 17820.4539 0.0000 0.0000 34202.5926 -149399.0139 298.6997 -183601.6065 -149295.3711 298.6695 -36.8301 -5.3619 557455.5360 -2.5140 -2.4039 PRESSURE: 4827200 -184.144 85.3269 115.472 85.3276 -182.715 42.7193 115.47 42.7189 -365.56 GPRESSURE: 4827200 -137.16 107.442 149.701 42.4829 -131.584 -5.28243 59.7799 153.868 -362.471 PRESSAVG: 4827200 34.5524 39.2097 40.566 39.2098 45.2554 -18.1693 40.566 -18.1692 -51.5793 GPRESSAVG: 4827200 33.9234 39.2008 40.0546 35.7462 45.5182 -19.1605 40.2902 -17.2027 -51.6318 TIMING: 4827200 CPU: 14028.3, 0.00292644/step Wall: 14028.3, 0.00292644/step, 0.140469 hours remaining, 207.437500 MB of memory in use. ENERGY: 4827200 741.1615 2132.5388 1944.8038 118.1269 -206021.3459 17641.1832 0.0000 0.0000 34203.0863 -149240.4453 298.7041 -183443.5316 -149142.1022 298.7718 -244.1397 -210.4049 558541.2427 9.4095 9.2699 PRESSURE: 4827400 -96.34 85.879 -15.4105 85.8785 -48.6393 16.5018 -15.4105 16.5012 85.3123 GPRESSURE: 4827400 -64.3838 60.0421 31.8989 78.3572 -37.7791 39.3227 -25.3426 -55.0822 141.826 PRESSAVG: 4827400 16.4923 -32.0125 24.6947 -32.0125 -23.3548 16.9057 24.6948 16.9057 39.1582 GPRESSAVG: 4827400 17.5095 -33.5695 25.8191 -29.3363 -24.5177 14.7705 25.0715 16.537 39.7845 TIMING: 4827400 CPU: 14028.9, 0.00290278/step Wall: 14028.9, 0.00290278/step, 0.139172 hours remaining, 207.437500 MB of memory in use. ENERGY: 4827400 735.6396 2071.6867 1942.0596 119.5891 -206157.9951 17738.2805 0.0000 0.0000 34152.5428 -149398.1968 298.2627 -183550.7396 -149304.5481 299.2145 -19.8890 13.2211 558174.1879 10.7652 10.9254 PRESSURE: 4827600 30.9423 -172.518 6.38509 -172.518 247.051 15.7403 6.38487 15.7408 -73.3786 GPRESSURE: 4827600 54.0793 -226.595 19.114 -182.544 302.365 -5.13791 50.3858 -18.2416 -52.5823 PRESSAVG: 4827600 -0.179074 6.53346 22.3759 6.53343 -0.851127 36.8812 22.3759 36.8812 -20.2091 GPRESSAVG: 4827600 -1.16132 9.11148 21.3245 5.29983 0.882089 37.9475 21.5913 36.6975 -20.7407 TIMING: 4827600 CPU: 14029.5, 0.0028893/step Wall: 14029.5, 0.0028893/step, 0.138365 hours remaining, 207.437500 MB of memory in use. ENERGY: 4827600 734.2642 2035.5887 1952.4137 110.9445 -206309.7746 17891.0614 0.0000 0.0000 34281.5051 -149303.9969 299.3889 -183585.5021 -149208.5737 298.9710 68.2049 101.2873 557573.2159 -7.0798 -7.0067 PRESSURE: 4827800 -100.497 -53.1487 -149.49 -53.148 -55.7909 59.3435 -149.489 59.3427 -344.173 GPRESSURE: 4827800 -63.0298 -101.619 -195.456 6.21838 -24.1352 48.9283 -94.8561 40.4222 -320.914 PRESSAVG: 4827800 3.07913 35.1292 62.3315 35.1291 -6.62515 14.3586 62.3315 14.3585 -7.97347 GPRESSAVG: 4827800 3.4266 36.5094 64.6368 36.0962 -6.74501 13.9522 62.2805 13.4276 -8.33432 TIMING: 4827800 CPU: 14030.1, 0.00291021/step Wall: 14030.1, 0.00291021/step, 0.139205 hours remaining, 207.546875 MB of memory in use. ENERGY: 4827800 773.1085 2068.7504 1967.0500 111.9839 -205888.7804 17622.5077 0.0000 0.0000 34242.0725 -149103.3074 299.0445 -183345.3799 -148998.7092 298.8703 -166.8203 -136.0262 559142.0449 -3.8398 -3.8842 PRESSURE: 4828000 64.2503 55.8484 24.7307 55.85 52.6372 -151.188 24.7305 -151.189 -289.187 GPRESSURE: 4828000 106.815 74.6315 10.2004 -28.3681 -24.6617 -214.112 46.4557 -89.619 -175.782 PRESSAVG: 4828000 -45.3421 -12.5222 31.4762 -12.5222 4.01769 60.5765 31.4762 60.5766 45.267 GPRESSAVG: 4828000 -44.4495 -13.5456 30.2448 -14.3597 3.03359 60.9398 30.8958 63.4214 44.9233 TIMING: 4828000 CPU: 14030.7, 0.00291435/step Wall: 14030.7, 0.00291435/step, 0.139241 hours remaining, 207.546875 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: 4828000 757.9337 2092.6895 1969.3977 126.7403 -205916.5505 17689.8940 0.0000 0.0000 34437.6635 -148842.2318 300.7527 -183279.8953 -148749.6058 300.6444 -57.4332 -31.2094 559128.8677 1.3142 1.1691 PRESSURE: 4828200 -79.4655 -39.9038 198.623 -39.9023 -329.173 34.5796 198.623 34.5794 -140.272 GPRESSURE: 4828200 -110.048 14.6868 155.818 -79.9633 -272.711 147.571 239.033 -22.7129 -78.0691 PRESSAVG: 4828200 -28.2506 31.1634 15.2198 31.1634 -24.3161 25.7784 15.2198 25.7784 17.8128 GPRESSAVG: 4828200 -28.2994 30.7006 15.7748 30.2538 -24.6552 25.3088 16.0907 24.6841 17.7627 TIMING: 4828200 CPU: 14031.2, 0.00290634/step Wall: 14031.2, 0.00290634/step, 0.138697 hours remaining, 207.546875 MB of memory in use. ENERGY: 4828200 800.4178 2109.7094 1940.4077 101.3996 -205756.3912 17621.1448 0.0000 0.0000 34319.4743 -148863.8376 299.7205 -183183.3119 -148772.1956 300.4268 -182.9702 -153.6096 559928.3277 -11.5847 -11.7306 LDB: ============= START OF LOAD BALANCING ============== 14034.7 LDB: ============== END OF LOAD BALANCING =============== 14034.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14034.7 LDB: ============= START OF LOAD BALANCING ============== 14035 LDB: Largest compute 4848 load 0.029709 is 25.2% of average load 0.117802 LDB: Average compute 0.001729 is 1.5% of average load 0.117802 LDB: TIME 14035 LOAD: AVG 0.117802 MAX 0.191151 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.27 MB LDB: TIME 14035 LOAD: AVG 0.117802 MAX 0.191151 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: TIME 14035 LOAD: AVG 0.117802 MAX 0.191151 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: ============== END OF LOAD BALANCING =============== 14035 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14035 PRESSURE: 4828400 0.854722 35.3255 85.9919 35.327 -76.8635 -114.358 85.993 -114.357 -182.713 GPRESSURE: 4828400 -0.243301 -76.4165 10.3077 69.8066 -26.1856 -50.5895 28.9011 -149.033 -134.062 PRESSAVG: 4828400 -19.7052 -5.5502 41.4164 -5.55019 3.67549 -53.7337 41.4164 -53.7337 38.3868 GPRESSAVG: 4828400 -20.2006 -7.45376 39.4022 -2.26428 4.49011 -53.095 42.1435 -53.9705 38.0107 TIMING: 4828400 CPU: 14031.8, 0.00296842/step Wall: 14031.8, 0.00296842/step, 0.141495 hours remaining, 209.613281 MB of memory in use. ENERGY: 4828400 698.4987 2131.3365 1941.7085 109.3095 -205969.1387 17829.2503 0.0000 0.0000 34115.0538 -149143.9813 297.9352 -183259.0352 -149050.1241 299.2444 -86.2407 -53.4971 560410.4760 7.4524 7.4334 PRESSURE: 4828600 68.9816 14.139 49.7499 14.1387 189.285 -74.2371 49.7512 -74.2361 194.54 GPRESSURE: 4828600 89.3339 99.6241 -41.0211 -48.6142 199.582 28.8828 71.2443 -90.166 281.008 PRESSAVG: 4828600 -51.5619 -11.8827 19.1068 -11.8829 -33.0478 -55.733 19.1068 -55.733 14.9806 GPRESSAVG: 4828600 -52.3913 -8.56635 20.5006 -13.3952 -32.5508 -54.5825 16.9929 -56.2327 15.5131 TIMING: 4828600 CPU: 14032.4, 0.00294002/step Wall: 14032.4, 0.00294002/step, 0.139978 hours remaining, 209.625000 MB of memory in use. ENERGY: 4828600 745.7329 2033.3646 1946.5580 123.6517 -206671.0074 18184.5898 0.0000 0.0000 34420.0079 -149217.1025 300.5985 -183637.1104 -149113.4427 299.0652 150.9357 189.9746 558621.9127 -23.2097 -23.1430 PRESSURE: 4828800 -185.833 1.43863 -71.6755 1.43909 -51.274 2.04953 -71.6764 2.04884 -52.114 GPRESSURE: 4828800 -137.124 -50.6664 -147.405 -26.3213 -58.1041 34.1358 13.4988 80.081 0.671337 PRESSAVG: 4828800 -54.6056 -33.6003 -13.5298 -33.6004 57.4424 -14.3642 -13.5298 -14.3643 -5.06684 GPRESSAVG: 4828800 -53.5962 -37.7264 -13.8085 -32.6129 56.4367 -17.3721 -13.5846 -12.4996 -5.13444 TIMING: 4828800 CPU: 14033, 0.00293048/step Wall: 14033, 0.00293048/step, 0.139361 hours remaining, 209.625000 MB of memory in use. ENERGY: 4828800 738.9274 2126.2979 1947.0187 116.0474 -206212.2404 17883.3460 0.0000 0.0000 34268.2933 -149132.3097 299.2735 -183400.6029 -149038.7210 298.8995 -96.4070 -64.8524 559122.0760 -0.7434 -0.7646 PRESSURE: 4829000 -153.089 -54.6188 78.0398 -54.6192 -188.328 36.8149 78.0407 36.816 -193.161 GPRESSURE: 4829000 -137.022 7.08044 71.4447 -67.2399 -87.0349 -65.1553 58.2763 145.983 -207.611 PRESSAVG: 4829000 -32.096 -13.2864 32.8534 -13.2863 -12.3023 64.5603 32.8535 64.5603 14.4576 GPRESSAVG: 4829000 -33.0484 -10.0256 33.522 -13.7889 -11.4332 63.7969 32.8481 63.8406 14.7975 TIMING: 4829000 CPU: 14033.6, 0.00291779/step Wall: 14033.6, 0.00291778/step, 0.138595 hours remaining, 209.625000 MB of memory in use. ENERGY: 4829000 724.8121 2075.2356 1936.8849 115.5716 -205686.2517 17558.0001 0.0000 0.0000 34201.3918 -149074.3556 298.6893 -183275.7474 -148975.9386 299.3056 -178.1926 -143.8895 559745.1271 -9.9802 -9.8947 PRESSURE: 4829200 -109.781 -125.284 57.6301 -125.284 -58.1246 161.47 57.6312 161.47 -178.371 GPRESSURE: 4829200 -64.4362 -61.7462 37.0992 -174.223 -52.4926 145.49 65.5476 -35.0443 -150.075 PRESSAVG: 4829200 58.0159 -85.9286 24.8569 -85.9287 12.793 62.4601 24.857 62.4601 -56.62 GPRESSAVG: 4829200 58.9845 -87.8683 23.7396 -86.0336 12.5951 65.2014 25.4417 60.8448 -57.2704 TIMING: 4829200 CPU: 14034.2, 0.00291815/step Wall: 14034.2, 0.00291815/step, 0.13845 hours remaining, 209.625000 MB of memory in use. ENERGY: 4829200 740.1500 2017.2145 1948.7788 108.4540 -205750.8543 17588.1758 0.0000 0.0000 34259.3051 -149088.7760 299.1950 -183348.0811 -148995.6100 298.9111 -115.4254 -89.0014 559357.5127 4.7296 4.7697 PRESSURE: 4829400 -32.815 82.2524 -20.7627 82.2527 -245.714 -67.9988 -20.7633 -68 -213.089 GPRESSURE: 4829400 27.817 111.744 47.2703 26.8774 -197.518 -195.901 -16.6623 -32.2506 -227.673 PRESSAVG: 4829400 10.5722 -16.6306 41.8403 -16.6305 -0.048562 -47.1447 41.8402 -47.1448 -20.2377 GPRESSAVG: 4829400 10.0593 -14.6089 42.5532 -18.2162 0.220253 -47.0388 42.6031 -46.8861 -20.1734 TIMING: 4829400 CPU: 14034.8, 0.00290364/step Wall: 14034.8, 0.00290364/step, 0.1376 hours remaining, 209.625000 MB of memory in use. ENERGY: 4829400 760.9637 2061.5319 1924.5033 107.4060 -205832.5542 17578.0631 0.0000 0.0000 34281.7201 -149118.3663 299.3908 -183400.0864 -149029.5060 299.3122 -163.8726 -132.4581 558291.1303 -3.2380 -3.2979 PRESSURE: 4829600 94.0828 -91.3265 -76.1058 -91.3273 -98.1867 24.7351 -76.1065 24.7362 256.304 GPRESSURE: 4829600 102.082 -98.0167 -37.5244 -46.4589 -60.9709 82.9505 -123.607 3.86239 297.257 PRESSAVG: 4829600 -29.3927 -16.335 -68.9507 -16.3349 -28.7881 7.22405 -68.9507 7.22405 81.8479 GPRESSAVG: 4829600 -29.4409 -16.0579 -69.6669 -14.558 -28.7179 8.68062 -69.5817 5.9374 81.8866 TIMING: 4829600 CPU: 14035.3, 0.00294448/step Wall: 14035.3, 0.00294448/step, 0.139372 hours remaining, 209.625000 MB of memory in use. ENERGY: 4829600 705.7387 2031.0836 1926.4353 113.9208 -206074.3399 17850.2540 0.0000 0.0000 34244.4818 -149202.4258 299.0656 -183446.9076 -149099.9697 299.1621 84.0668 112.7894 558190.7658 7.8890 7.9093 PRESSURE: 4829800 -220.783 -122.546 -84.1349 -122.546 -175.25 156.833 -84.133 156.833 69.4481 GPRESSURE: 4829800 -157.633 -117.783 -22.1547 -162.942 -153.944 87.6849 -9.80249 219.432 98.2243 PRESSAVG: 4829800 -35.0003 -31.917 -32.895 -31.917 3.14913 -5.95494 -32.895 -5.9549 72.6463 GPRESSAVG: 4829800 -34.2681 -32.5871 -31.3233 -32.1744 2.38868 -7.53819 -32.8427 -2.56543 72.5819 TIMING: 4829800 CPU: 14035.9, 0.00291934/step Wall: 14035.9, 0.00291934/step, 0.13802 hours remaining, 209.625000 MB of memory in use. ENERGY: 4829800 742.8805 2001.6508 1943.0611 104.4744 -205904.0723 17705.6698 0.0000 0.0000 34295.2332 -149111.1025 299.5088 -183406.3357 -149019.0981 299.2708 -108.8618 -71.1176 557747.2973 13.5984 13.5675 PRESSURE: 4830000 -220.026 -12.4848 -10.6039 -12.4852 10.4644 -175.189 -10.6042 -175.189 186.985 GPRESSURE: 4830000 -225.302 -105.062 91.2769 -31.9536 43.5716 12.2596 -66.8053 -219.911 257.456 PRESSAVG: 4830000 2.02799 -49.3346 31.7743 -49.3346 -34.7784 19.6358 31.7742 19.6359 6.20314 GPRESSAVG: 4830000 1.08308 -51.1816 31.6773 -47.3859 -34.8227 21.3147 30.3189 17.2856 6.52016 TIMING: 4830000 CPU: 14036.5, 0.00290452/step Wall: 14036.5, 0.00290452/step, 0.137158 hours remaining, 209.625000 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: 4830000 737.5010 1996.6597 1958.2577 113.1155 -205944.1544 17811.7493 0.0000 0.0000 34134.9755 -149191.8959 298.1092 -183326.8714 -149093.9750 298.5227 -7.5255 25.2420 558324.0299 -8.8491 -9.0732 PRESSURE: 4830200 -77.8016 -52.9315 111.421 -52.9313 -448.085 122.053 111.422 122.052 100.021 GPRESSURE: 4830200 -61.7281 -8.01603 130.405 -77.4021 -380.271 107.355 40.2285 70.8575 117.72 PRESSAVG: 4830200 35.0529 -114.289 -3.02722 -114.289 -79.7815 50.1431 -3.02724 50.1432 46.638 GPRESSAVG: 4830200 34.921 -112.791 -4.40546 -116.824 -79.0765 48.5257 -1.00281 49.4256 45.5701 TIMING: 4830200 CPU: 14037.1, 0.00290218/step Wall: 14037.1, 0.00290218/step, 0.136886 hours remaining, 209.699219 MB of memory in use. ENERGY: 4830200 738.6130 2083.9548 1957.2064 119.0963 -206183.9830 17736.1832 0.0000 0.0000 34344.7833 -149204.1460 299.9415 -183548.9293 -149117.8312 298.0344 -141.9552 -108.0931 557920.6950 0.6365 0.4716 PRESSURE: 4830400 -28.9573 195.822 -11.987 195.823 -122.949 163.534 -11.9864 163.537 58.5434 GPRESSURE: 4830400 -88.4122 271.73 0.933018 111.494 -35.5193 228.621 -24.2542 78.0639 117.923 PRESSAVG: 4830400 20.9043 -3.79009 34.8731 -3.79001 -6.27401 40.2615 34.8731 40.2615 -19.34 GPRESSAVG: 4830400 20.1297 -2.66332 35.9152 -1.07189 -6.7263 41.2358 34.3179 40.075 -17.452 TIMING: 4830400 CPU: 14037.7, 0.00291446/step Wall: 14037.7, 0.00291446/step, 0.137303 hours remaining, 209.699219 MB of memory in use. ENERGY: 4830400 754.7557 2141.0820 1956.9043 125.4060 -206260.9490 17827.8981 0.0000 0.0000 34382.7137 -149072.1892 300.2728 -183454.9029 -148967.0765 299.9698 -31.1209 -2.0029 557825.5886 -1.5699 -1.3495 PRESSURE: 4830600 -23.5343 44.2743 -7.68747 44.2742 -25.9534 -4.29462 -7.68806 -4.29403 -41.8415 GPRESSURE: 4830600 31.1864 81.3997 22.0072 21.8604 1.79606 -31.7153 -0.030316 -95.5383 -36.3553 PRESSAVG: 4830600 -21.0957 36.6424 33.0773 36.6424 -13.8059 -27.2382 33.0772 -27.2382 22.5898 GPRESSAVG: 4830600 -19.8991 36.1004 34.0129 35.7202 -13.918 -27.9845 32.8129 -26.1139 21.2942 TIMING: 4830600 CPU: 14038.3, 0.00291353/step Wall: 14038.3, 0.00291353/step, 0.137098 hours remaining, 209.699219 MB of memory in use. ENERGY: 4830600 755.3136 2081.7362 1954.2687 109.9283 -206212.2128 17868.1532 0.0000 0.0000 34345.1044 -149097.7084 299.9443 -183442.8128 -148999.6984 299.7675 -30.4431 -1.1243 557866.1660 -4.1039 -4.1743 PRESSURE: 4830800 43.2496 67.0035 -63.1367 67.0039 52.4514 47.8904 -63.1359 47.8907 -64.2307 GPRESSURE: 4830800 80.9763 49.4576 -133.441 60.1695 67.7044 18.3347 10.4486 -22.2605 -13.5149 PRESSAVG: 4830800 -67.5532 57.9452 -49.0939 57.9454 42.3517 19.4741 -49.0938 19.4741 27.7965 GPRESSAVG: 4830800 -68.4647 57.5409 -49.1779 58.2749 43.4555 19.526 -49.642 18.8259 27.8817 TIMING: 4830800 CPU: 14038.8, 0.00291153/step Wall: 14038.8, 0.00291153/step, 0.136842 hours remaining, 209.699219 MB of memory in use. ENERGY: 4830800 765.5533 2098.0967 1941.9804 121.4243 -206410.1836 17985.3852 0.0000 0.0000 34322.8443 -149174.8992 299.7499 -183497.7436 -149072.3700 299.9080 10.4901 45.0553 557770.8369 0.8650 0.9575 PRESSURE: 4831000 -90.3138 -70.5068 -234.79 -70.5072 -32.7912 -153.672 -234.789 -153.672 43.3059 GPRESSURE: 4831000 -4.37316 -157.05 -128.403 40.128 -19.2828 -38.1977 -205.543 -251.353 41.2244 PRESSAVG: 4831000 -15.182 -24.6311 -42.659 -24.6312 22.3081 52.1347 -42.6589 52.1348 3.07317 GPRESSAVG: 4831000 -13.8051 -25.0581 -43.1145 -26.4931 20.7097 51.3758 -43.0528 51.9607 3.20978 TIMING: 4831000 CPU: 14039.4, 0.00292053/step Wall: 14039.4, 0.00292053/step, 0.137103 hours remaining, 209.699219 MB of memory in use. ENERGY: 4831000 716.7161 2093.5740 1926.2129 115.4644 -206410.1426 17963.5006 0.0000 0.0000 34261.0375 -149333.6371 299.2102 -183594.6745 -149238.2454 298.7623 -26.5997 5.8561 560110.2916 3.3998 3.3714 PRESSURE: 4831200 62.1803 226.348 63.7937 226.348 112.176 -54.9717 63.7925 -54.9721 90.3397 GPRESSURE: 4831200 97.0728 254.43 14.661 136.583 138.813 -61.1612 53.0711 -39.2067 118.347 PRESSAVG: 4831200 -19.6655 -5.28545 23.3659 -5.28542 -5.39832 25.8999 23.3658 25.8997 5.78254 GPRESSAVG: 4831200 -20.4655 -3.9922 21.626 -3.17188 -5.15882 27.0188 25.4722 27.5965 6.12635 TIMING: 4831200 CPU: 14040, 0.00291778/step Wall: 14040, 0.00291778/step, 0.136812 hours remaining, 209.699219 MB of memory in use. ENERGY: 4831200 782.7960 2080.3733 1918.8185 107.2581 -206487.4817 18150.3360 0.0000 0.0000 34002.1526 -149445.7473 296.9493 -183447.8999 -149351.2091 299.1037 88.2318 118.0775 557435.3249 -6.4271 -6.4993 PRESSURE: 4831400 100.541 -51.2601 22.817 -51.2612 -50.7864 39.027 22.8175 39.027 -75.7009 GPRESSURE: 4831400 144.858 -101.075 -11.2009 -56.6061 -47.0591 37.1977 -21.7342 42.658 -19.2695 PRESSAVG: 4831400 13.1692 29.3039 72.843 29.3038 -56.7723 15.0571 72.843 15.057 29.0838 GPRESSAVG: 4831400 13.9989 28.1388 74.1308 26.8003 -56.2501 14.897 70.6738 13.668 28.2842 TIMING: 4831400 CPU: 14040.6, 0.0029144/step Wall: 14040.6, 0.0029144/step, 0.136491 hours remaining, 209.699219 MB of memory in use. ENERGY: 4831400 783.7988 2069.8492 1932.0616 96.4733 -206564.9401 18046.2743 0.0000 0.0000 34026.5017 -149609.9813 297.1619 -183636.4829 -149513.4924 297.8511 -8.6487 26.1765 557800.9051 -4.8398 -4.6557 PRESSURE: 4831600 -33.5163 48.8402 -18.9889 48.8405 65.7313 20.2397 -18.9893 20.2408 122.157 GPRESSURE: 4831600 0.768681 48.042 -27.7771 123.447 44.9394 48.2587 -30.7555 -2.96387 201.764 PRESSAVG: 4831600 16.4176 -26.3832 -28.398 -26.3832 -38.1044 21.8254 -28.3981 21.8254 20.8357 GPRESSAVG: 4831600 16.2189 -26.852 -27.7105 -23.4706 -38.1761 19.4036 -28.7696 23.1714 21.2048 TIMING: 4831600 CPU: 14041.2, 0.00291038/step Wall: 14041.2, 0.00291038/step, 0.136141 hours remaining, 209.699219 MB of memory in use. ENERGY: 4831600 732.1769 2099.7936 1929.5943 110.7896 -206436.1431 17800.5450 0.0000 0.0000 34217.4731 -149545.7706 298.8297 -183763.2437 -149452.4283 297.6676 51.4573 82.4906 556100.2317 -0.2837 -0.2508 PRESSURE: 4831800 -201.883 -99.1786 -119.194 -99.1787 -408.909 137.637 -119.194 137.637 -109.762 GPRESSURE: 4831800 -176.225 -140.363 -49.2676 -42.0462 -337.936 220.523 -161.898 111.517 -118.973 PRESSAVG: 4831800 -3.36821 -7.1728 3.42014 -7.17286 12.3743 -22.8669 3.42012 -22.8669 -46.393 GPRESSAVG: 4831800 -2.93341 -4.72904 5.95188 -9.47252 12.1145 -21.4362 3.15234 -23.6658 -46.8772 TIMING: 4831800 CPU: 14041.8, 0.00290431/step Wall: 14041.8, 0.00290431/step, 0.135696 hours remaining, 209.699219 MB of memory in use. ENERGY: 4831800 750.0504 2091.9926 1922.3414 107.5075 -205910.6469 17432.3862 0.0000 0.0000 34117.1867 -149489.1822 297.9539 -183606.3689 -149389.8993 298.1863 -240.1847 -211.0448 558588.1093 -12.4623 -12.5654 PRESSURE: 4832000 169.71 -51.6045 12.7028 -51.6056 -0.38561 30.5519 12.703 30.5516 248.304 GPRESSURE: 4832000 273.885 79.39 -14.0042 -50.8357 -29.0932 -19.4453 118.922 97.06 268.472 PRESSAVG: 4832000 -10.7842 -89.2403 37.8725 -89.2403 -18.0478 -54.6604 37.8725 -54.6603 13.2786 GPRESSAVG: 4832000 -11.2992 -91.669 36.8954 -87.5327 -17.6356 -55.896 39.4511 -54.4823 13.3838 TIMING: 4832000 CPU: 14042.3, 0.00291191/step Wall: 14042.3, 0.00291191/step, 0.135889 hours remaining, 209.933594 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: 4832000 711.5326 2091.4297 1934.5127 111.1801 -206507.4455 17893.7660 0.0000 0.0000 34331.9493 -149433.0750 299.8295 -183765.0244 -149335.5952 298.3652 139.2094 171.0879 556122.6784 -5.1844 -5.1837 PRESSURE: 4832200 -128.402 58.5515 55.7437 58.5527 -68.8028 30.6733 55.7434 30.6735 -75.8083 GPRESSURE: 4832200 -134.355 58.3683 44.4163 36.5951 -52.1276 -103.313 35.3899 20.5824 12.2198 PRESSAVG: 4832200 -18.3438 -57.9218 -19.8969 -57.9218 11.2245 -17.1929 -19.8969 -17.1928 -22.9354 GPRESSAVG: 4832200 -17.4134 -59.3128 -19.699 -57.5806 10.2869 -16.7905 -21.8466 -16.5831 -23.1193 TIMING: 4832200 CPU: 14042.9, 0.00292299/step Wall: 14042.9, 0.00292299/step, 0.136244 hours remaining, 209.933594 MB of memory in use. ENERGY: 4832200 722.0981 2079.3443 1943.8618 107.0641 -206797.0670 17830.9133 0.0000 0.0000 34462.6145 -149651.1708 300.9706 -184113.7853 -149545.6277 299.1279 -91.0042 -58.0874 555655.1938 -10.0182 -10.0819 LDB: ============= START OF LOAD BALANCING ============== 14046.4 LDB: ============== END OF LOAD BALANCING =============== 14046.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14046.4 LDB: ============= START OF LOAD BALANCING ============== 14046.7 LDB: Largest compute 4848 load 0.030597 is 26.0% of average load 0.117885 LDB: Average compute 0.001730 is 1.5% of average load 0.117885 LDB: TIME 14046.7 LOAD: AVG 0.117885 MAX 0.194279 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 14046.7 LOAD: AVG 0.117885 MAX 0.194279 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 14046.7 LOAD: AVG 0.117885 MAX 0.194279 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14046.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14046.7 PRESSURE: 4832400 3.46205 45.5644 -87.8983 45.5643 -130.384 -26.1531 -87.898 -26.1538 -294.904 GPRESSURE: 4832400 81.3028 85.9084 -53.7654 2.33483 -153.11 -17.5485 -117.866 -67.3042 -266.527 PRESSAVG: 4832400 -37.4243 -66.4314 14.2821 -66.4314 -1.64204 12.2026 14.282 12.2027 56.6478 GPRESSAVG: 4832400 -38.764 -67.1919 13.4907 -66.2032 -1.87148 14.582 15.0723 10.4177 57.8713 TIMING: 4832400 CPU: 14043.5, 0.00299826/step Wall: 14043.5, 0.00299826/step, 0.139586 hours remaining, 206.843750 MB of memory in use. ENERGY: 4832400 718.7319 2089.5955 1940.2093 122.7658 -206174.7303 17534.3749 0.0000 0.0000 34135.7643 -149633.2885 298.1161 -183769.0528 -149540.6255 298.2370 -140.6089 -112.7781 556778.3732 5.8605 5.7453 PRESSURE: 4832600 -9.46023 -23.8381 95.3359 -23.8389 -39.6252 72.2643 95.335 72.2649 -11.9133 GPRESSURE: 4832600 13.5803 -58.5004 61.7326 35.7837 14.5135 61.3565 101.65 174.936 15.1205 PRESSAVG: 4832600 -6.1958 -29.9158 4.33429 -29.9159 29.2064 11.2394 4.3343 11.2394 -7.15074 GPRESSAVG: 4832600 -5.89465 -29.2754 5.63624 -28.7672 30.403 8.24191 3.2079 14.237 -8.80506 TIMING: 4832600 CPU: 14044.1, 0.00293734/step Wall: 14044.1, 0.00293734/step, 0.136586 hours remaining, 207.046875 MB of memory in use. ENERGY: 4832600 746.6186 2032.4767 1966.5517 112.9073 -206537.7756 17928.8443 0.0000 0.0000 34114.4718 -149635.9052 297.9302 -183750.3770 -149540.2714 298.2139 -20.3329 14.4048 558192.7268 5.2866 5.2344 PRESSURE: 4832800 93.0466 22.3239 -7.3178 22.3239 41.1199 -185.071 -7.31964 -185.07 -120.501 GPRESSURE: 4832800 47.0911 99.3308 70.8387 4.40926 83.9186 -156.626 -6.29455 -144.716 -29.302 PRESSAVG: 4832800 -44.2012 48.9352 33.8283 48.9351 31.8676 -29.7836 33.8285 -29.7836 47.7667 GPRESSAVG: 4832800 -43.7584 50.2431 32.3708 46.5595 30.6323 -27.325 33.6274 -31.8483 48.4451 TIMING: 4832800 CPU: 14044.7, 0.00293/step Wall: 14044.7, 0.00293/step, 0.136082 hours remaining, 207.046875 MB of memory in use. ENERGY: 4832800 776.6033 2130.2830 1953.4321 105.9312 -206604.8825 17862.7238 0.0000 0.0000 34151.2461 -149624.6629 298.2513 -183775.9091 -149523.5244 298.7189 4.5552 33.9026 557190.8109 11.8110 11.7730 PRESSURE: 4833000 -63.3296 -217.747 -72.5003 -217.746 147.647 6.85985 -72.4994 6.86025 -267.804 GPRESSURE: 4833000 -0.179787 -215.517 -13.3756 -268.667 136.859 -66.2473 -95.4699 -44.7263 -229.572 PRESSAVG: 4833000 24.6244 38.6889 7.50819 38.689 -51.3495 21.9916 7.50823 21.9914 3.67621 GPRESSAVG: 4833000 24.2951 38.981 9.09434 39.8901 -50.2193 20.8843 7.8176 22.5387 2.4302 TIMING: 4833000 CPU: 14045.3, 0.0029196/step Wall: 14045.3, 0.0029196/step, 0.135437 hours remaining, 207.046875 MB of memory in use. ENERGY: 4833000 757.6157 2133.6669 1928.0381 119.4347 -206736.3643 17804.2922 0.0000 0.0000 34393.2173 -149600.0994 300.3645 -183993.3167 -149497.0537 299.0263 -61.1624 -30.9641 556811.9205 -7.6830 -7.8313 PRESSURE: 4833200 74.5917 -140.923 210.936 -140.922 82.8112 108.189 210.936 108.19 -104.978 GPRESSURE: 4833200 77.8352 -165.389 208.807 -170.913 82.9741 76.5924 177.099 52.0651 -7.99271 PRESSAVG: 4833200 -42.2183 -24.4696 -20.0264 -24.4696 -8.2115 -4.62878 -20.0265 -4.62885 20.769 GPRESSAVG: 4833200 -41.7369 -26.2139 -20.8155 -24.72 -7.84471 -3.64664 -19.2651 -6.03705 19.9051 TIMING: 4833200 CPU: 14045.9, 0.0029283/step Wall: 14045.9, 0.0029283/step, 0.135678 hours remaining, 207.046875 MB of memory in use. ENERGY: 4833200 755.7403 2120.8174 1936.1026 116.4939 -206857.9715 18120.7730 0.0000 0.0000 34184.1931 -149623.8513 298.5391 -183808.0443 -149521.3531 298.3128 17.4750 50.9388 557814.8506 -9.8869 -9.8922 PRESSURE: 4833400 -100.364 -41.1611 -34.7015 -41.1605 110.282 -29.8149 -34.6998 -29.8153 68.4252 GPRESSURE: 4833400 -56.0806 -67.9495 -74.1617 -99.9398 111.959 -74.1246 -31.8035 5.45703 115.516 PRESSAVG: 4833400 -2.64335 -47.9464 -12.8542 -47.9464 -51.8587 9.17255 -12.8541 9.17256 39.7356 GPRESSAVG: 4833400 -3.36068 -46.8358 -14.6215 -48.3868 -54.0192 7.68175 -12.6452 10.146 41.9076 TIMING: 4833400 CPU: 14046.4, 0.00292944/step Wall: 14046.4, 0.00292944/step, 0.135568 hours remaining, 207.046875 MB of memory in use. ENERGY: 4833400 800.9235 2065.7056 1946.9619 114.8451 -206710.5125 18028.5427 0.0000 0.0000 34094.2118 -149659.3219 297.7532 -183753.5337 -149556.7906 297.8998 26.1144 57.1316 557932.9440 -4.9222 -5.1574 PRESSURE: 4833600 242.466 -18.9752 92.9738 -18.9738 -41.6537 138.866 92.9739 138.866 -50.6436 GPRESSURE: 4833600 236.357 -81.2066 110.795 32.8667 16.5072 196.442 88.0803 85.2204 13.0458 PRESSAVG: 4833600 21.8888 18.9416 13.3611 18.9416 -66.0522 -10.4963 13.3611 -10.4962 -1.54989 GPRESSAVG: 4833600 22.3311 19.1826 12.9787 19.0542 -65.6293 -9.22013 13.2698 -13.17 -3.07202 TIMING: 4833600 CPU: 14047, 0.00290356/step Wall: 14047, 0.00290356/step, 0.134209 hours remaining, 207.046875 MB of memory in use. ENERGY: 4833600 761.7663 2033.6866 1975.8194 118.9719 -206841.1556 18172.1757 0.0000 0.0000 34136.8922 -149641.8435 298.1260 -183778.7357 -149549.1346 298.3268 50.0562 88.6365 559075.9849 -15.2378 -15.4567 PRESSURE: 4833800 -96.5098 -117.345 10.7199 -117.345 7.07131 45.1875 10.7204 45.1889 -26.4911 GPRESSURE: 4833800 -26.75 -62.085 63.7718 -173.815 45.2688 110.815 11.7069 76.0016 -43.3762 PRESSAVG: 4833800 5.7883 -9.57338 -20.781 -9.57339 -62.863 1.74132 -20.7809 1.74144 19.411 GPRESSAVG: 4833800 4.54769 -8.84598 -17.4096 -8.4317 -62.433 1.04276 -21.1005 5.49546 19.735 TIMING: 4833800 CPU: 14047.6, 0.00290629/step Wall: 14047.6, 0.00290629/step, 0.134174 hours remaining, 207.117188 MB of memory in use. ENERGY: 4833800 741.0547 2112.9601 1947.3837 114.8914 -206433.0761 17924.7352 0.0000 0.0000 33914.2163 -149677.8347 296.1813 -183592.0510 -149585.3836 297.7435 -38.6432 -8.2858 558796.0782 -12.5546 -12.7168 PRESSURE: 4834000 -81.5008 135.997 -77.3042 135.997 -401.069 148.398 -77.3043 148.398 39.5415 GPRESSURE: 4834000 -87.0478 79.08 12.369 84.1616 -333.156 160.257 -144.314 101.254 71.6051 PRESSAVG: 4834000 47.9186 -44.4968 -49.7555 -44.4968 -59.6952 42.5394 -49.7554 42.5394 39.177 GPRESSAVG: 4834000 46.9741 -44.5541 -51.8446 -43.6331 -59.0024 42.6457 -47.8256 40.9245 39.6061 TIMING: 4834000 CPU: 14048.2, 0.00289469/step Wall: 14048.2, 0.00289469/step, 0.133477 hours remaining, 207.117188 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: 4834000 738.1607 2067.1712 1924.1110 117.9713 -206433.4069 17773.9328 0.0000 0.0000 34279.2074 -149532.8524 299.3688 -183812.0598 -149438.5273 298.3327 -147.6762 -116.1996 559275.0637 9.1335 9.1926 PRESSURE: 4834200 287.42 46.7962 -115.622 46.7953 -160.488 -54.9608 -115.621 -54.9609 158.174 GPRESSURE: 4834200 265.294 -35.0812 -164.116 59.8542 -97.6406 -29.9161 -110.621 -75.13 204.369 PRESSAVG: 4834200 30.5627 -18.9669 -73.3101 -18.9669 -30.9606 -3.25148 -73.3101 -3.25158 5.12016 GPRESSAVG: 4834200 32.3778 -20.6827 -72.9452 -19.827 -32.2879 -3.95534 -75.695 -2.48666 4.35493 TIMING: 4834200 CPU: 14048.8, 0.00292533/step Wall: 14048.8, 0.00292533/step, 0.134728 hours remaining, 207.117188 MB of memory in use. ENERGY: 4834200 712.2229 2030.8016 1970.9582 128.6655 -206459.3980 17857.9495 0.0000 0.0000 34247.5512 -149511.2491 299.0924 -183758.8002 -149417.4552 298.8393 95.0354 124.0074 556844.3879 1.5741 1.4816 PRESSURE: 4834400 26.7494 92.3369 -54.9308 92.3364 -39.7137 37.2781 -54.9302 37.277 203.637 GPRESSURE: 4834400 15.145 95.0035 -89.5003 83.6023 69.5764 18.4204 -25.4339 75.2508 206.029 PRESSAVG: 4834400 85.8517 -2.28161 -18.4085 -2.28166 -55.0209 -36.8289 -18.4083 -36.8288 -15.5209 GPRESSAVG: 4834400 83.8881 -0.449367 -18.9027 -1.52912 -53.3807 -36.6942 -18.3272 -36.4385 -15.0961 TIMING: 4834400 CPU: 14049.4, 0.00293076/step Wall: 14049.4, 0.00293076/step, 0.134815 hours remaining, 207.117188 MB of memory in use. ENERGY: 4834400 711.7310 2051.7505 1916.1506 112.6912 -206493.1516 18038.1000 0.0000 0.0000 33941.8088 -149720.9197 296.4223 -183662.7284 -149624.2123 297.3237 63.5575 96.9169 557058.6407 5.1033 5.1371 PRESSURE: 4834600 180.447 -255.25 -140.307 -255.25 75.0993 -145.626 -140.307 -145.626 -26.3497 GPRESSURE: 4834600 177.276 -221.391 -126.387 -244.633 132.216 -143.53 -143.932 -168.39 18.6917 PRESSAVG: 4834600 -0.381266 -9.29755 -35.8959 -9.29751 44.2183 -39.3924 -35.896 -39.3925 13.0207 GPRESSAVG: 4834600 0.926949 -10.0529 -35.0067 -9.59577 44.3856 -40.186 -35.3371 -38.5034 11.0809 TIMING: 4834600 CPU: 14049.9, 0.00290177/step Wall: 14049.9, 0.00290177/step, 0.13332 hours remaining, 207.117188 MB of memory in use. ENERGY: 4834600 703.5594 2030.6827 1934.9049 112.9211 -206421.8193 17932.6461 0.0000 0.0000 33782.2092 -149924.8959 295.0284 -183707.1051 -149820.3783 297.6431 76.3990 109.3942 557565.4615 18.9526 18.7978 PRESSURE: 4834800 -153.389 -115.137 91.2737 -115.136 109.237 -4.45365 91.2739 -4.45307 -166.21 GPRESSURE: 4834800 -90.3555 -104.956 42.4241 -168.771 85.1226 57.3459 147.814 -64.5635 -121.071 PRESSAVG: 4834800 58.9512 -73.6235 -43.617 -73.6236 6.47158 -0.709818 -43.6169 -0.709801 -94.6341 GPRESSAVG: 4834800 58.5895 -73.2679 -46.0392 -72.1852 4.77424 1.83239 -41.286 -3.62478 -93.5348 TIMING: 4834800 CPU: 14050.5, 0.00293117/step Wall: 14050.5, 0.00293117/step, 0.134508 hours remaining, 207.117188 MB of memory in use. ENERGY: 4834800 725.5477 2064.3790 1961.8494 119.6927 -206769.4345 17840.8286 0.0000 0.0000 34326.2594 -149730.8777 299.7798 -184057.1371 -149636.5828 296.9699 -70.1209 -42.1013 557360.2130 -9.7371 -10.0570 PRESSURE: 4835000 22.0978 -18.1496 -88.3698 -18.149 47.312 53.0815 -88.369 53.0817 82.8 GPRESSURE: 4835000 31.8865 -1.64922 -95.5173 5.22469 125.26 61.9606 -66.8469 176.621 88.3936 PRESSAVG: 4835000 -8.60157 -15.1779 25.3727 -15.1779 11.857 22.17 25.3727 22.1702 -14.5122 GPRESSAVG: 4835000 -8.61868 -15.8957 25.0808 -18.0053 11.3072 20.1747 24.0038 23.4284 -13.5538 TIMING: 4835000 CPU: 14051.1, 0.00292378/step Wall: 14051.1, 0.00292378/step, 0.134006 hours remaining, 207.117188 MB of memory in use. ENERGY: 4835000 745.1542 2039.4547 1955.8970 119.4475 -206594.9885 17840.8949 0.0000 0.0000 34309.4640 -149584.6762 299.6331 -183894.1403 -149484.5791 297.5542 50.7366 81.8467 556484.5332 -3.7522 -3.6218 PRESSURE: 4835200 137.312 -26.1941 13.5698 -26.1941 17.8865 -1.64862 13.569 -1.64793 -29.0168 GPRESSURE: 4835200 213.717 41.9722 -34.5982 -3.95337 50.464 114.815 58.1686 -39.3505 -42.5186 PRESSAVG: 4835200 23.5054 -52.0133 -13.7984 -52.0132 -29.0316 56.3876 -13.7985 56.3876 7.11196 GPRESSAVG: 4835200 22.9078 -51.1417 -13.5847 -49.5381 -27.6687 57.1479 -15.8616 54.252 6.76665 TIMING: 4835200 CPU: 14051.7, 0.00291015/step Wall: 14051.7, 0.00291015/step, 0.13322 hours remaining, 207.117188 MB of memory in use. ENERGY: 4835200 749.5336 2095.8686 1933.9810 111.3940 -206597.9190 17891.2086 0.0000 0.0000 34030.4617 -149785.4715 297.1965 -183815.9332 -149689.5546 298.0102 42.0607 73.8875 555905.1959 0.5286 0.6686 PRESSURE: 4835400 -131.92 67.388 -37.0707 67.3874 53.197 83.1832 -37.0714 83.1815 193.591 GPRESSURE: 4835400 -113.059 54.3717 8.31825 94.8597 126.366 119.625 -13.617 -23.5138 192.603 PRESSAVG: 4835400 -12.8401 21.5176 -0.857251 21.5175 53.0315 23.3407 -0.85717 23.3407 -9.31551 GPRESSAVG: 4835400 -12.0285 23.0597 1.4909 20.4995 52.3359 23.3738 0.335664 26.5196 -9.71508 TIMING: 4835400 CPU: 14052.3, 0.00292699/step Wall: 14052.3, 0.00292699/step, 0.133828 hours remaining, 207.117188 MB of memory in use. ENERGY: 4835400 724.1027 2124.0765 1944.0682 115.9884 -206730.8284 17918.6498 0.0000 0.0000 34189.2090 -149714.7336 298.5829 -183903.9426 -149621.2143 298.2943 38.2894 68.6365 556690.3352 10.2920 10.1975 PRESSURE: 4835600 -151.724 -63.7316 14.423 -63.7338 -115.537 -45.5712 14.4228 -45.5719 184.616 GPRESSURE: 4835600 -57.837 -17.6502 -0.139949 -85.8993 -92.5348 26.238 60.8803 5.22006 168.064 PRESSAVG: 4835600 14.952 7.13985 34.6773 7.13989 -31.4771 76.3613 34.6774 76.3612 -20.4961 GPRESSAVG: 4835600 14.1648 6.9925 34.2088 6.51057 -31.8676 75.4336 34.1401 74.7458 -19.8301 TIMING: 4835600 CPU: 14052.9, 0.00292103/step Wall: 14052.9, 0.00292103/step, 0.133394 hours remaining, 207.117188 MB of memory in use. ENERGY: 4835600 770.1491 2141.0678 1955.7426 117.7563 -206624.0522 17823.0003 0.0000 0.0000 33986.5684 -149829.7678 296.8132 -183816.3362 -149737.4298 297.7699 -27.5484 5.8976 556526.9050 -12.3404 -12.5110 PRESSURE: 4835800 152.767 -114.599 39.6129 -114.599 -139.215 -87.3917 39.6136 -87.3924 68.8403 GPRESSURE: 4835800 162.684 -56.8022 36.1606 -129.063 -100.411 -160.539 105.475 -98.3569 115.801 PRESSAVG: 4835800 -20.8615 -52.1955 26.6648 -52.1955 43.5453 9.34738 26.6648 9.34733 39.4272 GPRESSAVG: 4835800 -20.9605 -53.8407 27.0645 -51.6824 44.8676 8.10889 27.515 12.0581 37.571 TIMING: 4835800 CPU: 14053.4, 0.00291106/step Wall: 14053.4, 0.00291106/step, 0.132777 hours remaining, 207.117188 MB of memory in use. ENERGY: 4835800 763.6096 2127.5026 1950.4280 121.9210 -206945.8902 18040.5869 0.0000 0.0000 34248.9844 -149692.8577 299.1049 -183941.8421 -149600.1923 297.9205 27.4640 59.3580 555734.4427 20.7037 20.4927 PRESSURE: 4836000 -35.8425 -149.81 110.315 -149.811 250.666 -207.289 110.315 -207.29 16.4001 GPRESSURE: 4836000 -29.0146 -56.1251 86.5423 -158.891 298.78 -175.649 90.0798 -191.089 54.0994 PRESSAVG: 4836000 -52.0439 -33.3514 -40.2504 -33.3514 -47.219 -20.7045 -40.2504 -20.7045 54.2272 GPRESSAVG: 4836000 -52.3089 -32.0875 -41.0166 -32.796 -48.2043 -17.2024 -38.9106 -23.3195 55.2727 TIMING: 4836000 CPU: 14054, 0.00291849/step Wall: 14054, 0.00291849/step, 0.132954 hours remaining, 207.117188 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: 4836000 707.5186 2081.5108 1954.6778 120.1588 -206635.4027 17986.6657 0.0000 0.0000 34173.9589 -149610.9121 298.4497 -183784.8711 -149517.5274 297.8462 77.0745 107.9549 558577.9372 -15.0119 -15.0802 PRESSURE: 4836200 -342.386 -42.6038 -82.1302 -42.6054 -255.321 -81.7455 -82.1314 -81.7438 -188.897 GPRESSURE: 4836200 -325.555 -41.7356 -29.5957 23.6269 -207.928 -30.1854 -99.1565 -133.342 -151.922 PRESSAVG: 4836200 -5.01226 18.5102 13.0771 18.5102 0.858957 22.1593 13.0771 22.1592 42.1147 GPRESSAVG: 4836200 -3.85778 17.4182 13.4576 18.0325 0.840999 19.701 10.8315 22.3111 41.4119 TIMING: 4836200 CPU: 14054.6, 0.00291684/step Wall: 14054.6, 0.00291684/step, 0.132716 hours remaining, 207.117188 MB of memory in use. ENERGY: 4836200 787.3175 2091.6156 1946.4607 109.7806 -206230.1708 17619.3399 0.0000 0.0000 34118.9053 -149556.7512 297.9689 -183675.6565 -149465.9032 298.2461 -262.2014 -228.4686 558474.4235 12.6538 12.7984 LDB: ============= START OF LOAD BALANCING ============== 14058.1 LDB: ============== END OF LOAD BALANCING =============== 14058.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14058.1 LDB: ============= START OF LOAD BALANCING ============== 14058.4 LDB: Largest compute 4848 load 0.030705 is 26.1% of average load 0.117864 LDB: Average compute 0.001730 is 1.5% of average load 0.117864 LDB: TIME 14058.4 LOAD: AVG 0.117864 MAX 0.193291 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 14058.4 LOAD: AVG 0.117864 MAX 0.193291 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: TIME 14058.4 LOAD: AVG 0.117864 MAX 0.193291 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14058.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14058.4 PRESSURE: 4836400 -83.3576 128.772 -112.216 128.772 120.602 173.948 -112.216 173.948 191.865 GPRESSURE: 4836400 -17.0214 139.078 -137.484 86.0438 126.833 137.137 -120.404 220.825 212.644 PRESSAVG: 4836400 -51.9296 -35.6814 34.064 -35.6814 15.0547 -5.075 34.0639 -5.07511 5.53872 GPRESSAVG: 4836400 -51.9742 -36.1984 35.3708 -35.7167 15.1669 -3.24778 35.5026 -3.84506 5.53803 TIMING: 4836400 CPU: 14055.2, 0.00296599/step Wall: 14055.2, 0.00296599/step, 0.134788 hours remaining, 207.734375 MB of memory in use. ENERGY: 4836400 699.6369 2118.7455 1961.6395 106.6555 -206608.5314 17826.8952 0.0000 0.0000 34400.2423 -149494.7166 300.4259 -183894.9589 -149400.4300 298.2307 76.3696 107.4853 556736.3483 -10.4454 -10.4231 PRESSURE: 4836600 -158.613 21.779 170.125 21.778 -46.6051 90.2894 170.124 90.2886 117.68 GPRESSURE: 4836600 -155.791 55.5011 225.149 -27.9732 23.5188 46.2276 174.663 74.122 132.11 PRESSAVG: 4836600 -35.845 16.5221 49.064 16.5221 -45.7295 39.5151 49.064 39.5151 96.5249 GPRESSAVG: 4836600 -37.659 15.7903 48.1682 18.2444 -45.3528 37.5239 50.2543 37.3599 97.8766 TIMING: 4836600 CPU: 14055.8, 0.0029166/step Wall: 14055.8, 0.0029166/step, 0.132381 hours remaining, 207.746094 MB of memory in use. ENERGY: 4836600 714.4445 2124.6591 1942.6246 119.9655 -206449.8894 17820.6870 0.0000 0.0000 34139.0142 -149588.4946 298.1445 -183727.5087 -149486.6175 298.4515 -29.1795 -0.0541 557333.7173 4.9835 4.9549 PRESSURE: 4836800 -182.192 100.344 -15.04 100.343 -217.24 -93.5414 -15.0395 -93.5415 -155.589 GPRESSURE: 4836800 -146.733 49.0213 12.5111 158.316 -209.834 -100.044 33.5745 -44.1763 -109.929 PRESSAVG: 4836800 -86.4809 6.98273 3.08169 6.98272 66.0477 17.588 3.08177 17.588 6.88273 GPRESSAVG: 4836800 -85.8035 9.16708 2.43795 3.52158 65.0826 19.6606 2.94711 18.6384 7.66519 TIMING: 4836800 CPU: 14056.4, 0.00292824/step Wall: 14056.4, 0.00292824/step, 0.132747 hours remaining, 207.746094 MB of memory in use. ENERGY: 4836800 781.1395 2139.9161 1934.5752 115.5068 -206183.0573 17712.0236 0.0000 0.0000 34076.6569 -149423.2392 297.5999 -183499.8961 -149327.8066 298.3546 -185.0073 -155.4989 557929.9294 -4.5168 -4.3519 PRESSURE: 4837000 153.986 -38.4003 114.527 -38.4003 184.879 35.0712 114.527 35.0695 -11.2284 GPRESSURE: 4837000 169.397 27.989 128.19 -49.9973 207.793 -1.26389 79.6859 97.4763 38.2035 PRESSAVG: 4837000 -34.8442 6.02892 -18.3455 6.02892 28.2046 16.9994 -18.3456 16.9992 6.11764 GPRESSAVG: 4837000 -34.0971 3.35184 -18.7879 8.739 28.4908 15.3287 -18.8894 17.3612 4.906 TIMING: 4837000 CPU: 14057, 0.00291833/step Wall: 14057, 0.00291833/step, 0.132136 hours remaining, 207.746094 MB of memory in use. ENERGY: 4837000 774.9769 2062.1956 1951.7310 106.7970 -206741.2140 18088.6106 0.0000 0.0000 34382.7287 -149374.1743 300.2729 -183756.9029 -149286.3216 298.7801 109.2123 138.4645 557527.0489 -0.1740 -0.2335 PRESSURE: 4837200 -168.856 -123.516 -214.098 -123.517 -143.062 303.267 -214.099 303.266 -187.709 GPRESSURE: 4837200 -139.34 -229.851 -319.363 -129.566 -66.2752 266.202 -135.753 344.419 -201.338 PRESSAVG: 4837200 -40.4226 -12.0021 -13.4241 -12.0021 47.596 23.8654 -13.4242 23.8653 -30.2853 GPRESSAVG: 4837200 -41.1829 -10.9967 -10.8243 -12.922 49.1736 24.339 -13.0376 21.1884 -31.1401 TIMING: 4837200 CPU: 14057.5, 0.0029073/step Wall: 14057.5, 0.0029073/step, 0.131474 hours remaining, 207.746094 MB of memory in use. ENERGY: 4837200 777.7866 2103.9741 1947.6415 115.3994 -206379.6882 17741.2162 0.0000 0.0000 34351.7948 -149341.8756 300.0028 -183693.6703 -149236.3620 300.0110 -166.5421 -135.6511 557232.6548 -7.7040 -7.7165 PRESSURE: 4837400 -182.365 69.103 140.481 69.104 -77.6142 -94.0491 140.481 -94.0515 -264.259 GPRESSURE: 4837400 -176.195 59.6766 107.877 31.3104 -34.473 -30.6886 100.814 -135.162 -220.374 PRESSAVG: 4837400 18.0186 0.564218 -6.75072 0.56425 24.0928 40.4233 -6.75081 40.4233 -41.1503 GPRESSAVG: 4837400 18.4138 -0.463517 -8.09858 3.2096 23.1873 41.9403 -8.11762 42.7018 -40.7824 TIMING: 4837400 CPU: 14058.1, 0.00292116/step Wall: 14058.1, 0.00292116/step, 0.131939 hours remaining, 207.746094 MB of memory in use. ENERGY: 4837400 807.5247 2040.6687 1937.2331 117.1528 -206245.4167 17705.8250 0.0000 0.0000 34240.2710 -149396.7414 299.0288 -183637.0124 -149305.7191 299.7667 -174.7462 -143.6806 558440.4052 0.3204 0.2729 PRESSURE: 4837600 133.469 45.7924 122.017 45.7921 124.342 46.0481 122.016 46.051 103.248 GPRESSURE: 4837600 126.29 -19.4057 139.005 48.837 175.432 50.8002 129.715 77.6445 142.091 PRESSAVG: 4837600 42.1364 -3.47212 -43.1272 -3.47213 -55.7138 37.524 -43.1273 37.524 31.2052 GPRESSAVG: 4837600 41.4364 -0.464458 -43.1087 -6.29745 -55.9475 37.0532 -42.9205 36.5214 31.8001 TIMING: 4837600 CPU: 14058.7, 0.00294921/step Wall: 14058.7, 0.00294921/step, 0.133042 hours remaining, 207.746094 MB of memory in use. ENERGY: 4837600 748.7589 2094.0097 1957.6790 121.5848 -206570.6448 17966.9697 0.0000 0.0000 34219.4327 -149462.2099 298.8468 -183681.6426 -149366.7690 299.3705 120.3529 147.9376 558879.0602 5.8759 5.7630 PRESSURE: 4837800 -181.453 -105.381 63.3638 -105.38 -162.988 42.2437 63.3643 42.2443 -93.7376 GPRESSURE: 4837800 -99.1347 -110.365 71.489 -83.1584 -142.535 61.4099 121.46 102.423 -101.774 PRESSAVG: 4837800 -46.7802 4.74901 -15.3317 4.74908 4.49397 28.6038 -15.3316 28.6038 -17.3774 GPRESSAVG: 4837800 -46.1365 5.61964 -15.2712 5.1537 5.15004 27.9766 -15.7939 28.911 -17.7356 TIMING: 4837800 CPU: 14059.3, 0.00293813/step Wall: 14059.3, 0.00293813/step, 0.132379 hours remaining, 207.746094 MB of memory in use. ENERGY: 4837800 751.5684 2092.8374 1971.0665 110.7455 -206054.6262 17662.7998 0.0000 0.0000 34145.5173 -149320.0913 298.2013 -183465.6086 -149220.9954 298.8679 -146.0597 -114.4812 559163.7642 -19.8879 -19.5740 PRESSURE: 4838000 -139.447 38.881 -42.3062 38.8825 3.26496 -1.64473 -42.3058 -1.64611 -35.922 GPRESSURE: 4838000 -54.7965 104.725 -4.57687 3.47572 -2.45768 55.6838 26.0198 76.575 -16.3439 PRESSAVG: 4838000 42.282 20.7484 -0.0262723 20.7484 -25.4567 -20.321 -0.026246 -20.3211 27.8978 GPRESSAVG: 4838000 43.0005 19.957 -0.567096 19.803 -25.2301 -20.9988 0.272333 -19.378 26.9499 TIMING: 4838000 CPU: 14059.9, 0.00294095/step Wall: 14059.9, 0.00294095/step, 0.132343 hours remaining, 207.746094 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: 4838000 739.5928 2122.7558 1980.1660 126.5496 -206435.6215 17771.4242 0.0000 0.0000 34253.6280 -149441.5050 299.1455 -183695.1330 -149339.8040 299.5204 -57.3680 -24.5327 558870.0946 14.9077 14.9068 PRESSURE: 4838200 132.726 77.4785 26.0551 77.4789 -18.6475 93.3354 26.054 93.3348 -162.07 GPRESSURE: 4838200 170.491 25.0584 -65.0334 164.683 -56.1499 92.9185 35.2867 105.523 -70.6182 PRESSAVG: 4838200 10.2003 58.744 -7.24466 58.744 -8.27892 48.183 -7.24466 48.1831 11.752 GPRESSAVG: 4838200 8.53636 59.1477 -6.86208 58.8171 -8.36511 48.236 -7.45358 48.7887 12.7007 TIMING: 4838200 CPU: 14060.5, 0.00292655/step Wall: 14060.5, 0.00292655/step, 0.131532 hours remaining, 207.746094 MB of memory in use. ENERGY: 4838200 738.3597 2078.9034 1953.4078 102.7385 -206556.8234 17794.9190 0.0000 0.0000 34467.8227 -149420.6724 301.0161 -183888.4951 -149315.4968 299.4212 -15.9974 14.5742 556873.3346 4.5578 4.2906 PRESSURE: 4838400 -171.553 16.4537 0.152381 16.4543 -149.839 94.0803 0.154424 94.0818 4.58324 GPRESSURE: 4838400 -103.182 50.399 43.8375 -61.3384 -137.433 48.4021 66.4976 14.869 21.1308 PRESSAVG: 4838400 9.70515 58.9022 -6.17164 58.9023 11.6444 51.0596 -6.1717 51.0597 -10.4747 GPRESSAVG: 4838400 10.2584 57.0079 -6.64735 59.9435 12.7718 50.2019 -3.93458 49.9309 -12.2552 TIMING: 4838400 CPU: 14061.1, 0.00293616/step Wall: 14061.1, 0.00293616/step, 0.131801 hours remaining, 207.746094 MB of memory in use. ENERGY: 4838400 810.1021 2096.0338 1951.8155 107.8160 -206171.7668 17628.0623 0.0000 0.0000 34279.1222 -149298.8149 299.3681 -183577.9370 -149205.6675 298.9543 -105.6031 -73.1614 557337.1395 3.6249 3.5917 PRESSURE: 4838600 24.0318 32.1983 -9.32325 32.198 -86.9821 34.1425 -9.32333 34.1418 46.5784 GPRESSURE: 4838600 42.8008 57.4626 -49.7273 57.9602 -31.0584 -37.5767 24.3299 38.465 71.6493 PRESSAVG: 4838600 -34.1027 10.0334 -15.837 10.0334 23.105 -12.1143 -15.837 -12.1143 15.7931 GPRESSAVG: 4838600 -35.2755 11.7012 -15.4078 11.5352 21.7673 -9.75761 -16.0974 -14.0227 17.7092 TIMING: 4838600 CPU: 14061.7, 0.00293916/step Wall: 14061.7, 0.00293916/step, 0.131772 hours remaining, 207.746094 MB of memory in use. ENERGY: 4838600 749.1839 2052.3347 1963.5046 111.3750 -206044.6048 17650.2308 0.0000 0.0000 34061.2430 -149456.7327 297.4653 -183517.9758 -149365.8496 298.8347 -5.4573 27.7972 556682.0667 1.5985 1.4004 PRESSURE: 4838800 -192.35 114.801 72.1708 114.801 -165.745 74.2482 72.1701 74.2471 -110.539 GPRESSURE: 4838800 -200.984 27.4468 30.6156 198.513 -69.3159 11.6822 81.2787 19.4645 -95.1137 PRESSAVG: 4838800 2.26297 18.9868 -21.4261 18.9869 -16.7834 1.18651 -21.4261 1.18648 36.6296 GPRESSAVG: 4838800 1.77322 19.4659 -21.6253 15.665 -16.4991 -2.41317 -23.476 3.21908 36.7105 TIMING: 4838800 CPU: 14062.2, 0.00292321/step Wall: 14062.2, 0.00292321/step, 0.130895 hours remaining, 207.746094 MB of memory in use. ENERGY: 4838800 762.6263 2108.3579 1955.7203 112.5978 -206283.1666 17613.1033 0.0000 0.0000 34402.6893 -149328.0716 300.4472 -183730.7609 -149229.3766 298.8573 -156.2114 -121.8045 557254.9034 7.3697 7.3282 PRESSURE: 4839000 -208.52 56.7388 55.5607 56.7385 190.616 99.7422 55.5605 99.7437 75.4846 GPRESSURE: 4839000 -105.906 73.9419 -23.5391 -14.7488 232.73 128.898 109.182 177.763 21.7477 PRESSAVG: 4839000 -54.0113 35.4119 52.1735 35.4119 78.7148 24.8102 52.1734 24.8102 -39.2518 GPRESSAVG: 4839000 -53.3028 34.0817 52.7573 37.1006 78.6253 26.3338 54.0019 25.2055 -40.8873 TIMING: 4839000 CPU: 14062.8, 0.00289807/step Wall: 14062.8, 0.00289807/step, 0.129608 hours remaining, 207.746094 MB of memory in use. ENERGY: 4839000 758.2403 2053.6869 1983.9399 113.2405 -206187.8408 17692.2672 0.0000 0.0000 34262.3296 -149324.1365 299.2214 -183586.4661 -149228.1942 299.0944 19.1935 49.5239 557417.8121 -4.8494 -5.1882 PRESSURE: 4839200 -101.128 -39.0977 33.3038 -39.0975 -49.3164 103.51 33.3035 103.51 -22.211 GPRESSURE: 4839200 -60.0318 -39.7347 -73.9153 -40.5549 -8.04499 174.387 8.16468 101.545 -0.199755 PRESSAVG: 4839200 -71.4188 22.7898 -18.5322 22.7898 43.395 19.0374 -18.5322 19.0374 -1.26103 GPRESSAVG: 4839200 -72.0266 24.0266 -19.6722 21.5897 43.7913 17.0048 -18.5039 19.1574 -1.11981 TIMING: 4839200 CPU: 14063.4, 0.00290516/step Wall: 14063.4, 0.00290516/step, 0.129764 hours remaining, 207.746094 MB of memory in use. ENERGY: 4839200 761.1344 2127.8104 1956.7331 126.1017 -206187.8837 17763.4509 0.0000 0.0000 34139.3136 -149313.3395 298.1471 -183452.6531 -149217.4146 298.9327 -57.5519 -22.7588 558051.5287 -9.7616 -9.7851 PRESSURE: 4839400 34.4972 -10.3561 -33.7544 -10.3562 366.406 -2.68474 -33.7541 -2.68492 -70.0965 GPRESSURE: 4839400 29.8175 -101.444 35.3935 60.3354 463.703 -101.062 -88.619 32.1826 -66.9153 PRESSAVG: 4839400 -0.759302 21.4223 -32.0897 21.4223 48.2987 -10.8331 -32.0897 -10.833 -65.0839 GPRESSAVG: 4839400 -0.535102 20.5092 -30.6336 23.2514 47.7311 -9.73886 -33.1113 -11.8349 -65.1422 TIMING: 4839400 CPU: 14064, 0.00292212/step Wall: 14064, 0.00292212/step, 0.130359 hours remaining, 207.746094 MB of memory in use. ENERGY: 4839400 737.0510 2028.2719 1930.1038 117.1074 -206500.3414 18122.1782 0.0000 0.0000 34257.4359 -149308.1932 299.1787 -183565.6291 -149212.6372 298.6827 110.2687 142.2017 557561.9674 -5.8482 -5.9821 PRESSURE: 4839600 -295.285 121.331 47.7245 121.331 149.523 -32.9942 47.7246 -32.9927 -509.372 GPRESSURE: 4839600 -291.052 61.1609 -44.3738 102.069 139.465 -225.346 30.0817 -16.31 -413.011 PRESSAVG: 4839600 -7.90313 71.5856 -3.71033 71.5857 76.1535 47.8625 -3.71035 47.8625 -59.0053 GPRESSAVG: 4839600 -7.15108 71.5282 -5.5115 69.2772 75.6631 49.0661 -2.64422 47.1561 -58.8653 TIMING: 4839600 CPU: 14064.6, 0.00292051/step Wall: 14064.6, 0.00292051/step, 0.130125 hours remaining, 207.746094 MB of memory in use. ENERGY: 4839600 787.2577 2124.0521 1943.6551 107.9478 -205989.1376 17559.9033 0.0000 0.0000 34030.9012 -149435.4204 297.2003 -183466.3216 -149339.8804 298.9909 -218.3779 -188.1991 557575.4937 3.0817 3.2156 PRESSURE: 4839800 244.161 -27.2929 -21.4908 -27.2924 -167.625 -10.29 -21.4902 -10.2895 -61.4056 GPRESSURE: 4839800 305.051 -104.643 71.8078 46.2031 -137.457 73.3526 -28.1439 -86.3411 -54.7727 PRESSAVG: 4839800 15.9262 30.5339 -1.42737 30.534 68.0517 51.6552 -1.4273 51.6553 -79.7267 GPRESSAVG: 4839800 16.6199 30.7791 -0.00733293 32.5269 67.2079 51.7033 -3.53339 51.9472 -78.9542 TIMING: 4839800 CPU: 14065.2, 0.00292689/step Wall: 14065.2, 0.00292689/step, 0.130247 hours remaining, 207.746094 MB of memory in use. ENERGY: 4839800 757.6125 2086.8702 1951.0698 110.0616 -206468.9857 17872.1985 0.0000 0.0000 34241.0635 -149450.1096 299.0357 -183691.1731 -149359.5427 298.5911 5.0435 37.6068 556083.6736 1.4171 1.6245 PRESSURE: 4840000 -122.674 -75.2221 -99.3185 -75.2224 -21.829 85.8548 -99.3192 85.8542 -275.859 GPRESSURE: 4840000 -53.4864 -111.947 -80.2868 -12.8438 -1.00541 109.514 -114.003 36.3072 -263.717 PRESSAVG: 4840000 -9.67417 0.7743 36.4556 0.77428 61.0166 28.6907 36.4556 28.6907 -33.7745 GPRESSAVG: 4840000 -10.5772 2.2456 36.0197 0.0566544 62.4944 27.8318 37.0766 30.4658 -33.8219 TIMING: 4840000 CPU: 14065.7, 0.00291255/step Wall: 14065.7, 0.00291255/step, 0.129447 hours remaining, 207.746094 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: 4840000 785.9281 2155.6128 1943.4780 114.9614 -206383.1267 17748.2536 0.0000 0.0000 34300.3760 -149334.5170 299.5537 -183634.8929 -149236.2150 299.1946 -140.1208 -106.0697 556611.1457 5.8560 6.0318 PRESSURE: 4840200 -0.393336 33.947 174.122 33.9474 -317.164 151.099 174.121 151.098 57.0063 GPRESSURE: 4840200 12.625 58.518 135.988 100.4 -298.372 201.759 109.354 103.684 124.678 PRESSAVG: 4840200 17.5786 -16.3566 -41.2489 -16.3567 71.9086 106.555 -41.2489 106.555 -35.8392 GPRESSAVG: 4840200 19.1445 -16.7361 -41.8621 -16.0886 71.9135 107.085 -39.4949 105.062 -37.5206 TIMING: 4840200 CPU: 14066.3, 0.0029269/step Wall: 14066.3, 0.0029269/step, 0.129922 hours remaining, 207.746094 MB of memory in use. ENERGY: 4840200 744.7562 2068.6720 1936.5127 125.5146 -206372.0193 17676.9801 0.0000 0.0000 34374.6137 -149444.9701 300.2021 -183819.5838 -149344.4205 298.8130 -86.8504 -53.6898 555681.5745 17.8827 17.8458 LDB: ============= START OF LOAD BALANCING ============== 14069.8 LDB: ============== END OF LOAD BALANCING =============== 14069.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14069.8 LDB: ============= START OF LOAD BALANCING ============== 14070.1 LDB: Largest compute 4848 load 0.029399 is 24.9% of average load 0.117955 LDB: Average compute 0.001734 is 1.5% of average load 0.117955 LDB: TIME 14070.1 LOAD: AVG 0.117955 MAX 0.188896 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 14070.1 LOAD: AVG 0.117955 MAX 0.188896 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: TIME 14070.1 LOAD: AVG 0.117955 MAX 0.188896 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.672 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14070.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14070.1 PRESSURE: 4840400 46.3139 -10.253 -58.373 -10.2536 103.703 30.8573 -58.3727 30.8596 -190.495 GPRESSURE: 4840400 113.472 73.8066 -59.4726 -93.0198 99.7427 -7.9609 -74.7333 31.4346 -172.136 PRESSAVG: 4840400 60.9619 21.5588 -3.50897 21.5588 -25.9277 50.3209 -3.50892 50.3208 -18.5603 GPRESSAVG: 4840400 60.4152 20.6525 -1.54165 21.1252 -26.3145 50.577 -5.12689 50.5595 -17.6084 TIMING: 4840400 CPU: 14066.9, 0.00299244/step Wall: 14066.9, 0.00299244/step, 0.132665 hours remaining, 209.339844 MB of memory in use. ENERGY: 4840400 707.4511 2117.8611 1933.7605 113.4482 -206676.6669 17986.1026 0.0000 0.0000 34133.0664 -149684.9769 298.0926 -183818.0434 -149586.6325 298.2395 -13.4927 13.6931 557226.4850 5.4913 5.4974 PRESSURE: 4840600 -63.7699 -103.586 -136.751 -103.584 -333.757 85.458 -136.75 85.4573 82.4581 GPRESSURE: 4840600 -32.4726 -43.255 -92.1831 -168.916 -323.986 82.3593 -114.333 34.551 129.607 PRESSAVG: 4840600 80.1002 35.7162 16.5458 35.7161 -58.5946 52.5921 16.5459 52.5921 -55.896 GPRESSAVG: 4840600 80.2242 34.3037 17.1656 35.0731 -58.9049 51.3786 16.8072 52.5193 -55.5211 TIMING: 4840600 CPU: 14067.5, 0.00291661/step Wall: 14067.5, 0.00291661/step, 0.129141 hours remaining, 209.542969 MB of memory in use. ENERGY: 4840600 721.6183 2039.7097 1953.4706 120.1194 -205980.8413 17442.6565 0.0000 0.0000 34170.5811 -149532.6856 298.4202 -183703.2667 -149437.7760 298.9123 -105.0229 -75.6173 556990.7290 -11.4634 -11.4006 PRESSURE: 4840800 210.631 31.9285 -32.5117 31.9282 -51.8641 54.7905 -32.5113 54.7908 22.7548 GPRESSURE: 4840800 249.684 25.5084 -13.7974 71.8016 -20.8209 -49.2548 -54.1676 105.706 50.0822 PRESSAVG: 4840800 42.7637 19.0057 14.6972 19.0057 -22.2319 29.2914 14.6972 29.2915 -31.9901 GPRESSAVG: 4840800 43.7588 20.9267 13.6115 18.8912 -21.9693 30.6509 15.6031 28.7594 -32.8293 TIMING: 4840800 CPU: 14068.1, 0.00291652/step Wall: 14068.1, 0.00291652/step, 0.128975 hours remaining, 209.542969 MB of memory in use. ENERGY: 4840800 792.9331 2050.0408 1931.7709 112.7201 -206494.3530 17992.5978 0.0000 0.0000 34167.1386 -149447.1517 298.3901 -183614.2903 -149347.7684 298.4971 60.5071 92.9817 555304.0155 -3.8194 -3.6799 PRESSURE: 4841000 -196.484 36.2647 -156.439 36.2649 67.3325 -15.8938 -156.439 -15.8939 21.8423 GPRESSURE: 4841000 -172.872 96.7431 -122.104 -19.104 132.761 -106.792 -34.0462 81.7782 29.4037 PRESSAVG: 4841000 -23.8226 33.9404 -22.7781 33.9405 9.68388 18.7369 -22.7782 18.737 25.6277 GPRESSAVG: 4841000 -24.7449 33.8743 -24.4309 33.4243 8.54716 18.4439 -22.2302 19.5728 27.6641 TIMING: 4841000 CPU: 14068.7, 0.0029213/step Wall: 14068.7, 0.0029213/step, 0.129024 hours remaining, 209.542969 MB of memory in use. ENERGY: 4841000 752.7830 2087.4935 1950.5685 114.3754 -206425.8780 17745.9948 0.0000 0.0000 34452.1477 -149322.5152 300.8792 -183774.6628 -149227.5500 298.8865 -35.7696 -3.5690 556523.1837 3.8297 3.8221 PRESSURE: 4841200 -37.1979 -137.1 -51.838 -137.101 -184.931 -231.842 -51.8372 -231.841 16.6966 GPRESSURE: 4841200 -53.7466 -146.452 -71.9329 -160.896 -143.655 -193.241 -50.4205 -292.389 97.7591 PRESSAVG: 4841200 -5.93654 -5.33786 -22.778 -5.33786 18.8729 -69.8182 -22.778 -69.8182 -17.0628 GPRESSAVG: 4841200 -5.04766 -6.29411 -21.551 -5.11132 19.2049 -68.6665 -22.8629 -71.041 -18.3704 TIMING: 4841200 CPU: 14069.3, 0.00292928/step Wall: 14069.3, 0.00292928/step, 0.129214 hours remaining, 209.542969 MB of memory in use. ENERGY: 4841200 774.6532 2098.0017 1949.1568 121.4946 -206245.3908 17731.4779 0.0000 0.0000 34294.5103 -149276.0963 299.5025 -183570.6066 -149182.7622 299.3028 -68.4775 -33.2141 558215.1732 -1.3755 -1.4044 PRESSURE: 4841400 -214.689 -7.79769 129.058 -7.79886 -226.086 -36.733 129.058 -36.7328 1.06098 GPRESSURE: 4841400 -224.98 -19.9965 62.4475 31.5636 -132.008 46.1872 251.946 -105.892 10.2207 PRESSAVG: 4841400 -2.52351 4.1404 -3.83993 4.14037 27.4611 -58.5087 -3.83994 -58.5087 -37.5124 GPRESSAVG: 4841400 -2.41214 4.59064 -4.22813 5.67155 26.6983 -59.4069 -4.72482 -57.8547 -37.6072 TIMING: 4841400 CPU: 14069.8, 0.00292979/step Wall: 14069.8, 0.00292979/step, 0.129073 hours remaining, 209.542969 MB of memory in use. ENERGY: 4841400 755.2288 2121.4594 1934.7096 115.5758 -206174.6410 17626.2379 0.0000 0.0000 34476.4136 -149145.0160 301.0911 -183621.4295 -149053.4522 299.5652 -146.5713 -115.5890 559099.5286 -4.1916 -4.4403 PRESSURE: 4841600 112.234 -15.8827 27.341 -15.8836 275.324 33.0401 27.3397 33.0399 284.802 GPRESSURE: 4841600 160.363 -54.3298 20.356 41.8167 259.866 -12.8455 33.8052 -13.3073 361.244 PRESSAVG: 4841600 18.097 8.06404 2.92957 8.06412 -37.9033 -20.9676 2.92947 -20.9675 8.53169 GPRESSAVG: 4841600 17.6283 7.77947 4.44698 7.66597 -36.9755 -21.5287 1.25113 -19.1856 8.84923 TIMING: 4841600 CPU: 14070.4, 0.00293376/step Wall: 14070.4, 0.00293376/step, 0.129085 hours remaining, 209.613281 MB of memory in use. ENERGY: 4841600 764.3289 2130.5966 1946.2759 116.2956 -206583.7891 18286.1846 0.0000 0.0000 34324.7918 -149015.3158 299.7669 -183340.1076 -148923.1259 300.1982 224.1199 260.4911 558138.1412 -3.7582 -3.4993 PRESSURE: 4841800 42.1541 14.8654 -40.0672 14.8639 -22.5199 91.7059 -40.0671 91.7061 40.126 GPRESSURE: 4841800 72.5626 -78.7683 52.9669 42.5857 -33.3141 57.7724 -45.869 134.122 126.374 PRESSAVG: 4841800 16.0365 51.7109 43.1034 51.7108 -54.3325 -10.7078 43.1033 -10.7077 34.742 GPRESSAVG: 4841800 16.7139 50.8689 43.416 51.273 -54.2743 -8.73458 43.1086 -13.1945 33.9171 TIMING: 4841800 CPU: 14071, 0.00292378/step Wall: 14071, 0.00292378/step, 0.128484 hours remaining, 209.613281 MB of memory in use. ENERGY: 4841800 745.1898 2079.0471 1941.7367 114.1985 -206130.2721 17914.7762 0.0000 0.0000 34318.3460 -149016.9778 299.7107 -183335.3238 -148923.0840 299.8450 19.9201 55.2074 560885.7576 -1.1847 -1.2144 PRESSURE: 4842000 -53.2461 141.035 -10.6572 141.036 29.4048 -104.918 -10.657 -104.917 -91.5575 GPRESSURE: 4842000 1.82373 162.979 34.9344 176.389 66.642 -34.5389 -102.556 -107.571 -86.4507 PRESSAVG: 4842000 -21.3175 73.2244 -38.4799 73.2243 -13.7488 -36.5546 -38.4799 -36.5546 -32.5332 GPRESSAVG: 4842000 -20.5109 74.0872 -40.6733 73.0075 -14.3779 -36.755 -38.1041 -36.9845 -33.1069 TIMING: 4842000 CPU: 14071.6, 0.00292558/step Wall: 14071.6, 0.00292558/step, 0.1284 hours remaining, 209.613281 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: 4842000 745.5299 2081.4472 1949.0897 115.4890 -205986.2511 17800.4038 0.0000 0.0000 34297.1946 -148997.0969 299.5259 -183294.2915 -148895.6757 299.3103 -38.4663 -5.9950 558497.5200 -22.5331 -22.6652 PRESSURE: 4842200 -90.8465 -125.427 -123.821 -125.427 69.2171 120.383 -123.821 120.381 2.49015 GPRESSURE: 4842200 -76.1192 -101.397 -101.333 -108.281 87.9852 132.283 -114.292 183.815 63.7773 PRESSAVG: 4842200 -7.17386 24.1749 -16.3232 24.1749 -34.4474 40.3248 -16.3231 40.3248 15.3775 GPRESSAVG: 4842200 -8.88421 24.3372 -15.9734 23.3513 -33.263 38.8752 -14.6064 43.6906 15.8748 TIMING: 4842200 CPU: 14072.2, 0.00290353/step Wall: 14072.2, 0.00290353/step, 0.127272 hours remaining, 209.613281 MB of memory in use. ENERGY: 4842200 707.4450 2094.6514 1962.2888 116.1544 -206317.5427 17943.6906 0.0000 0.0000 34249.9285 -149243.3839 299.1131 -183493.3124 -149147.1683 299.4594 -6.3797 25.2144 558877.1022 -8.7479 -8.7575 PRESSURE: 4842400 -136.435 -96.709 -35.3049 -96.7082 -540.522 86.8529 -35.3044 86.8525 -115.592 GPRESSURE: 4842400 -157.668 -170.781 -10.2902 -16.477 -471.125 57.0868 39.1065 184.206 -67.4957 PRESSAVG: 4842400 -50.486 -7.78685 -48.0858 -7.78686 16.6364 50.4736 -48.0858 50.4736 57.9621 GPRESSAVG: 4842400 -49.352 -8.15578 -49.2029 -8.45156 16.6932 52.2631 -48.761 49.5115 57.4011 TIMING: 4842400 CPU: 14072.8, 0.0029004/step Wall: 14072.8, 0.0029004/step, 0.126973 hours remaining, 209.613281 MB of memory in use. ENERGY: 4842400 739.0328 2075.2483 1931.1968 114.2179 -206176.8037 17677.1216 0.0000 0.0000 34238.5972 -149401.3891 299.0142 -183639.9863 -149304.5153 298.3841 -264.1829 -232.0964 559239.6546 8.0375 8.2474 PRESSURE: 4842600 135.566 134.381 19.6972 134.383 2.13806 -134.033 19.6975 -134.034 13.8875 GPRESSURE: 4842600 156.331 145.683 50.4023 123.958 24.67 -10.8984 -76.8434 -178.162 58.3342 PRESSAVG: 4842600 -38.6376 4.51617 -27.182 4.51621 9.32769 14.5851 -27.182 14.5852 2.39667 GPRESSAVG: 4842600 -40.223 6.82038 -26.9452 4.08806 9.55985 13.5711 -27.9957 12.8293 3.09833 TIMING: 4842600 CPU: 14073.3, 0.00295178/step Wall: 14073.3, 0.00295178/step, 0.129058 hours remaining, 209.613281 MB of memory in use. ENERGY: 4842600 712.4237 2011.7931 1927.5484 105.1449 -206152.9512 17772.7310 0.0000 0.0000 34165.3400 -149457.9703 298.3744 -183623.3103 -149361.0905 298.3596 50.5305 79.7786 556842.1466 -8.9711 -9.1883 PRESSURE: 4842800 -18.2828 56.2698 94.1819 56.2687 -42.8984 69.3223 94.1826 69.3239 -136.681 GPRESSURE: 4842800 44.5646 -4.8847 44.9172 96.4759 -61.9613 -17.6292 71.583 149.676 -89.4523 PRESSAVG: 4842800 -19.0578 14.8772 8.80953 14.8772 -3.54201 -28.1221 8.80939 -28.1221 13.3824 GPRESSAVG: 4842800 -17.1946 12.207 9.28906 16.6297 -4.92238 -27.8986 8.61717 -26.844 13.2924 TIMING: 4842800 CPU: 14073.9, 0.00293115/step Wall: 14073.9, 0.00293115/step, 0.127994 hours remaining, 209.613281 MB of memory in use. ENERGY: 4842800 755.5187 2051.7663 1993.9949 105.7425 -206593.5471 17877.9796 0.0000 0.0000 34379.8615 -149428.6836 300.2479 -183808.5451 -149328.1097 297.7749 -65.9541 -35.6163 557975.8529 -3.0725 -2.9415 PRESSURE: 4843000 51.2893 45.2578 157.742 45.2583 -151.055 41.6806 157.742 41.6804 132.347 GPRESSURE: 4843000 95.8457 103.586 136.798 -100.621 -84.7082 78.2383 145.23 -36.9206 127.13 PRESSAVG: 4843000 90.9141 15.1824 33.7049 15.1825 -80.7119 -15.5332 33.7048 -15.5332 21.4453 GPRESSAVG: 4843000 90.4978 13.7503 34.7889 16.3686 -78.8106 -15.5892 35.0002 -15.0641 20.2847 TIMING: 4843000 CPU: 14074.5, 0.00292097/step Wall: 14074.5, 0.00292097/step, 0.127387 hours remaining, 209.613281 MB of memory in use. ENERGY: 4843000 745.0818 2023.5204 1964.3479 120.9472 -206025.8707 17752.3039 0.0000 0.0000 34135.7456 -149283.9238 298.1160 -183419.6695 -149187.0253 298.6427 10.8603 46.0893 557564.9059 10.5492 10.6573 PRESSURE: 4843200 96.5779 118.077 3.67155 118.077 115.243 8.85004 3.67209 8.84977 -141.57 GPRESSURE: 4843200 129.428 32.149 12.6452 71.3788 145.433 -11.9788 53.1517 66.1309 -104.662 PRESSAVG: 4843200 31.068 18.4108 0.182764 18.4108 -29.744 -4.42221 0.182801 -4.42217 -30.0338 GPRESSAVG: 4843200 32.0796 19.2065 0.738572 16.138 -31.6943 -4.77658 0.0183095 -3.58041 -29.2728 TIMING: 4843200 CPU: 14075.1, 0.00292164/step Wall: 14075.1, 0.00292164/step, 0.127253 hours remaining, 209.613281 MB of memory in use. ENERGY: 4843200 752.4383 2125.7578 1944.8377 126.7814 -206338.0679 17915.0079 0.0000 0.0000 34397.0959 -149076.1490 300.3984 -183473.2449 -148982.5380 299.3153 23.4172 56.7331 556894.1216 -9.5699 -9.6292 PRESSURE: 4843400 125.378 -118.644 147.359 -118.643 -79.4215 112.407 147.36 112.408 78.8203 GPRESSURE: 4843400 175.7 -123.637 192.173 -100.455 -86.4936 77.1829 68.7699 35.1291 134.369 PRESSAVG: 4843400 16.133 17.7535 10.0033 17.7535 -33.9213 37.1806 10.0032 37.1806 9.63766 GPRESSAVG: 4843400 14.3319 18.8491 9.83491 18.0049 -32.5945 37.069 9.63458 34.6721 9.78396 TIMING: 4843400 CPU: 14075.7, 0.00292691/step Wall: 14075.7, 0.00292691/step, 0.127321 hours remaining, 209.613281 MB of memory in use. ENERGY: 4843400 772.3224 2077.7193 1985.7735 112.7397 -206155.4546 17830.3243 0.0000 0.0000 34296.8698 -149079.7056 299.5231 -183376.5754 -148986.9727 300.2948 41.5921 74.5251 558756.3552 -2.7169 -2.8262 PRESSURE: 4843600 -164.557 -54.0156 -44.1075 -54.0147 -79.3702 -38.705 -44.1076 -38.706 -41.9524 GPRESSURE: 4843600 -67.0226 -84.479 -6.68674 -135.834 -78.5483 -47.2039 7.4123 -18.6306 -33.8902 PRESSAVG: 4843600 -15.064 -41.8005 -68.3367 -41.8004 76.6623 -36.9606 -68.3367 -36.9607 -14.5866 GPRESSAVG: 4843600 -15.2111 -41.8771 -71.0797 -41.033 77.2645 -33.8758 -68.2246 -36.2587 -14.621 TIMING: 4843600 CPU: 14076.3, 0.00290076/step Wall: 14076.3, 0.00290076/step, 0.126022 hours remaining, 209.613281 MB of memory in use. ENERGY: 4843600 752.7021 2076.8461 1988.0407 123.4802 -206023.2119 17855.9570 0.0000 0.0000 34173.2444 -149052.9414 298.4434 -183226.1858 -148952.3183 299.2546 -95.2932 -59.8204 558727.9116 15.6706 15.8108 PRESSURE: 4843800 -72.3991 -99.6955 44.5636 -99.6943 -49.2039 -43.7885 44.5617 -43.7882 289.329 GPRESSURE: 4843800 16.5068 -52.5248 60.3872 -190.834 -27.5372 -4.52305 92.3376 -76.8537 285.924 PRESSAVG: 4843800 -5.21028 35.836 -19.8208 35.836 -48.2084 -19.1425 -19.8208 -19.1425 34.0313 GPRESSAVG: 4843800 -4.8673 34.875 -19.3735 34.0354 -47.1289 -21.9365 -20.5369 -18.653 32.7443 TIMING: 4843800 CPU: 14076.8, 0.00289363/step Wall: 14076.8, 0.00289363/step, 0.125551 hours remaining, 209.613281 MB of memory in use. ENERGY: 4843800 747.4534 2095.5222 1949.9729 110.4473 -206233.9377 17943.1655 0.0000 0.0000 34419.4665 -148967.9098 300.5938 -183387.3763 -148872.6867 299.7860 55.9087 91.6311 559017.4145 -6.4625 -6.4173 PRESSURE: 4844000 75.7703 -98.225 190.727 -98.2253 96.9793 -138.753 190.727 -138.753 111.695 GPRESSURE: 4844000 80.7142 -148.879 186.86 27.5134 151.522 -91.8736 186.231 -181.187 138.372 PRESSAVG: 4844000 -42.7772 36.0455 -28.4202 36.0455 8.35949 -21.0169 -28.4203 -21.0169 21.5007 GPRESSAVG: 4844000 -41.2267 36.2104 -26.2876 37.1917 5.86568 -20.3822 -26.9225 -21.4502 22.3549 TIMING: 4844000 CPU: 14077.4, 0.00289523/step Wall: 14077.4, 0.00289523/step, 0.12546 hours remaining, 209.613281 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: 4844000 753.0134 2069.0132 1952.4591 107.4227 -206027.3602 17988.1913 0.0000 0.0000 34248.1961 -148909.0643 299.0980 -183157.2605 -148808.0204 299.4845 94.8147 123.5359 558319.1581 -4.3057 -4.3354 PRESSURE: 4844200 25.9361 -35.9012 29.8173 -35.9001 -86.5005 -181.254 29.8185 -181.254 199.749 GPRESSURE: 4844200 95.7056 39.5594 111.046 -36.7566 -94.5226 -176.425 -27.295 -152.193 240.39 PRESSAVG: 4844200 -42.354 14.2479 10.227 14.2479 -5.92374 -6.14404 10.2268 -6.14399 74.5484 GPRESSAVG: 4844200 -43.1942 14.6213 8.37444 13.8494 -4.59458 -6.46849 10.027 -6.15533 74.1179 TIMING: 4844200 CPU: 14078, 0.00290144/step Wall: 14078, 0.00290144/step, 0.125568 hours remaining, 209.613281 MB of memory in use. ENERGY: 4844200 730.8163 2100.2684 1943.1461 105.7443 -205885.0111 17848.1511 0.0000 0.0000 34281.3269 -148875.5579 299.3874 -183156.8849 -148779.8162 299.9671 46.3949 80.5244 559125.0747 8.7569 8.7764 LDB: ============= START OF LOAD BALANCING ============== 14081.5 LDB: ============== END OF LOAD BALANCING =============== 14081.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14081.5 LDB: ============= START OF LOAD BALANCING ============== 14081.8 LDB: Largest compute 4848 load 0.030021 is 25.5% of average load 0.117797 LDB: Average compute 0.001730 is 1.5% of average load 0.117797 LDB: TIME 14081.8 LOAD: AVG 0.117797 MAX 0.191721 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 14081.8 LOAD: AVG 0.117797 MAX 0.191721 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: TIME 14081.8 LOAD: AVG 0.117797 MAX 0.191721 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: ============== END OF LOAD BALANCING =============== 14081.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14081.8 PRESSURE: 4844400 25.7186 47.584 -72.1362 47.5846 -392.506 -16.5994 -72.1359 -16.5997 -94.8022 GPRESSURE: 4844400 67.2222 57.6551 -45.6512 1.72432 -379.15 -107.144 -75.743 29.4179 -59.2984 PRESSAVG: 4844400 -17.7531 27.406 15.5259 27.406 -81.5447 4.79759 15.5259 4.79767 66.9837 GPRESSAVG: 4844400 -17.3924 28.8442 16.4133 27.0515 -80.9514 5.61413 13.1486 5.86209 66.3957 TIMING: 4844400 CPU: 14078.6, 0.00295857/step Wall: 14078.6, 0.00295857/step, 0.127876 hours remaining, 206.843750 MB of memory in use. ENERGY: 4844400 780.0671 2087.0261 1978.6457 113.6722 -205950.6674 17734.0881 0.0000 0.0000 34418.7790 -148838.3893 300.5878 -183257.1683 -148746.7243 300.1331 -153.8633 -123.7422 559351.0641 -10.7714 -10.6494 PRESSURE: 4844600 -42.5531 131.01 -10.5124 131.011 -1.85706 -112.991 -10.513 -112.992 120.239 GPRESSURE: 4844600 -107.91 101.519 -53.8931 182.95 53.4423 -106.066 -78.0471 -33.9911 213.386 PRESSAVG: 4844600 -19.2699 15.9295 10.3314 15.9294 -41.5629 -58.9686 10.3314 -58.9686 84.5535 GPRESSAVG: 4844600 -20.7649 14.7015 9.32866 16.5199 -41.9937 -58.7519 10.5948 -59.3938 86.2887 TIMING: 4844600 CPU: 14079.2, 0.00290794/step Wall: 14079.2, 0.00290794/step, 0.125526 hours remaining, 206.914062 MB of memory in use. ENERGY: 4844600 762.1142 2130.1287 1975.6620 108.5007 -206161.8929 17765.3283 0.0000 0.0000 34487.6048 -148932.5542 301.1888 -183420.1590 -148841.8816 300.3759 25.2764 52.9727 558508.4923 7.9069 7.8434 PRESSURE: 4844800 -243.438 223.057 -59.6154 223.057 -260.83 -30.3668 -59.6164 -30.3661 66.2462 GPRESSURE: 4844800 -158.891 135.391 -78.2381 255.541 -248.569 -63.5264 24.3601 -52.7503 64.5876 PRESSAVG: 4844800 2.65467 15.0745 -24.2153 15.0745 -44.3314 -22.1566 -24.2153 -22.1566 50.02 GPRESSAVG: 4844800 2.79992 14.5879 -24.2265 15.1037 -43.4139 -20.6427 -22.1219 -24.1496 49.0153 TIMING: 4844800 CPU: 14079.8, 0.00290918/step Wall: 14079.8, 0.00290918/step, 0.125418 hours remaining, 206.914062 MB of memory in use. ENERGY: 4844800 726.0168 2104.6420 1946.9991 110.8486 -205905.2207 17578.3132 0.0000 0.0000 34357.3666 -149081.0343 300.0514 -183438.4010 -148983.4894 300.2603 -146.0073 -114.2907 560518.8217 2.7811 2.8005 PRESSURE: 4845000 -2.94001 152.716 4.12594 152.718 46.0782 -73.0536 4.12611 -73.0546 284.461 GPRESSURE: 4845000 -23.9242 56.8298 -63.3383 74.7526 164.293 -56.0783 -10.546 -6.38603 282.196 PRESSAVG: 4845000 37.0583 -11.405 -37.4065 -11.4051 -40.7208 -59.3817 -37.4065 -59.3817 28.6777 GPRESSAVG: 4845000 36.0937 -10.8157 -37.9927 -12.6478 -39.8394 -62.6464 -37.1755 -57.9669 29.525 TIMING: 4845000 CPU: 14080.3, 0.00290442/step Wall: 14080.3, 0.00290442/step, 0.125052 hours remaining, 206.914062 MB of memory in use. ENERGY: 4845000 757.7297 2119.4011 1969.1632 102.2151 -206696.7115 18086.0982 0.0000 0.0000 34611.8182 -149050.2861 302.2736 -183662.1043 -148955.8208 299.5477 109.1997 140.8549 557352.1612 8.3384 8.5931 PRESSURE: 4845200 208.017 -58.341 -95.1197 -58.3398 272.938 -129.821 -95.1198 -129.822 -250.327 GPRESSURE: 4845200 186.33 -6.67821 -70.091 -83.9515 278.643 -50.3328 -94.2008 -180.611 -133.314 PRESSAVG: 4845200 -55.5337 -61.5635 -9.10737 -61.5635 22.2903 18.485 -9.10739 18.4851 28.7752 GPRESSAVG: 4845200 -54.4984 -61.5178 -6.9406 -61.4116 20.4058 20.0227 -12.2106 16.2976 29.3744 TIMING: 4845200 CPU: 14080.9, 0.00292349/step Wall: 14080.9, 0.00292349/step, 0.12571 hours remaining, 206.914062 MB of memory in use. ENERGY: 4845200 728.4755 2124.5362 1959.1498 109.8898 -206133.6296 17869.1557 0.0000 0.0000 34319.5890 -149022.8336 299.7215 -183342.4226 -148924.4973 300.3769 76.8759 110.5529 557638.9021 -1.4894 -1.5727 PRESSURE: 4845400 -7.09253 -70.168 9.65135 -70.1678 -246.03 -42.8075 9.65119 -42.8079 -100.843 GPRESSURE: 4845400 -6.97084 -51.4545 -33.675 -55.1882 -147.002 -83.528 81.5565 -27.0257 -104.909 PRESSAVG: 4845400 -18.9777 -28.5133 -20.098 -28.5133 61.7618 -38.8868 -20.098 -38.8867 -2.16235 GPRESSAVG: 4845400 -18.703 -28.5988 -20.7315 -27.4095 61.8458 -38.4668 -18.6211 -38.486 -2.6399 TIMING: 4845400 CPU: 14081.5, 0.00292207/step Wall: 14081.5, 0.00292207/step, 0.125487 hours remaining, 206.914062 MB of memory in use. ENERGY: 4845400 746.5464 2075.8253 1967.3856 110.7162 -205968.6274 17661.2055 0.0000 0.0000 34328.0865 -149078.8619 299.7957 -183406.9484 -148978.6902 300.3752 -117.9882 -86.2940 559018.4537 13.5406 13.5010 PRESSURE: 4845600 44.2172 110.509 32.4195 110.509 -141.357 -48.9038 32.4194 -48.9047 -9.58361 GPRESSURE: 4845600 43.4921 82.4165 -26.2697 27.9151 -42.1725 -23.8598 75.0117 28.6192 -18.0621 PRESSAVG: 4845600 10.6562 -73.7066 32.2608 -73.7067 8.7266 -66.4247 32.2607 -66.4248 -46.9005 GPRESSAVG: 4845600 10.8679 -74.222 30.5537 -75.0652 8.0437 -65.409 33.6005 -65.8951 -46.9296 TIMING: 4845600 CPU: 14082.1, 0.00292778/step Wall: 14082.1, 0.00292778/step, 0.125569 hours remaining, 206.914062 MB of memory in use. ENERGY: 4845600 744.3207 2087.4000 1955.3551 116.1952 -206016.8522 17738.7103 0.0000 0.0000 34328.7717 -149046.0993 299.8017 -183374.8710 -148946.0927 299.9777 -35.5745 -5.5808 558028.4161 -9.1726 -9.3394 PRESSURE: 4845800 -43.9657 5.40679 81.5339 5.40663 -52.9345 103.849 81.5349 103.849 -163.061 GPRESSURE: 4845800 -13.7924 11.9824 97.283 -36.7686 -31.6653 63.9322 85.5144 179.211 -112.407 PRESSAVG: 4845800 52.7467 0.242397 40.5175 0.242366 -35.2255 -14.3923 40.5175 -14.3922 -34.5529 GPRESSAVG: 4845800 53.1567 0.249638 43.7312 0.325133 -35.297 -16.1991 39.4667 -15.7241 -35.1553 TIMING: 4845800 CPU: 14082.7, 0.0029035/step Wall: 14082.7, 0.0029035/step, 0.124367 hours remaining, 206.914062 MB of memory in use. ENERGY: 4845800 742.4380 2051.6926 1939.3671 114.9142 -206112.7967 17717.2284 0.0000 0.0000 34327.5202 -149219.6363 299.7908 -183547.1565 -149121.4413 299.6805 -86.6538 -52.6215 557679.7809 -5.6772 -5.7652 PRESSURE: 4846000 -255.342 -114.438 167.423 -114.438 -36.7708 -44.4648 167.423 -44.465 -243.556 GPRESSURE: 4846000 -200.163 -85.2541 149.603 -222.347 -44.1235 -43.4022 221.762 -115.027 -204.918 PRESSAVG: 4846000 41.8755 -19.938 45.0145 -19.938 16.7629 -56.5936 45.0144 -56.5935 -55.9499 GPRESSAVG: 4846000 41.0273 -20.1064 43.185 -18.7651 17.6251 -56.7907 43.4162 -54.7819 -55.9761 TIMING: 4846000 CPU: 14083.3, 0.00289246/step Wall: 14083.3, 0.00289246/step, 0.123733 hours remaining, 206.914062 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: 4846000 726.3694 2158.0236 1940.7039 110.8395 -205847.1922 17531.4837 0.0000 0.0000 34151.9254 -149227.8466 298.2573 -183379.7720 -149129.3914 298.3829 -178.5563 -149.7349 558421.1302 0.8962 0.8921 PRESSURE: 4846200 -263.042 -37.4584 43.1796 -37.4587 -137.673 -3.27786 43.1794 -3.27993 28.2585 GPRESSURE: 4846200 -241.803 -1.93132 115.554 -18.1398 -95.0472 47.9683 11.4742 -114.36 52.247 PRESSAVG: 4846200 24.9307 -62.4587 -6.47869 -62.4588 -1.30906 1.30808 -6.47871 1.30814 -59.535 GPRESSAVG: 4846200 25.4452 -62.5387 -6.49176 -62.1755 -1.14767 3.09902 -6.74641 -0.273534 -59.7887 TIMING: 4846200 CPU: 14083.8, 0.00291823/step Wall: 14083.8, 0.00291823/step, 0.124673 hours remaining, 206.914062 MB of memory in use. ENERGY: 4846200 724.8052 2081.1815 1984.5750 126.8477 -205951.3458 17514.0441 0.0000 0.0000 34298.4401 -149221.4522 299.5368 -183519.8923 -149133.0147 299.0571 -124.1524 -94.8678 557562.3773 -11.9711 -11.8304 PRESSURE: 4846400 -394.533 113.509 -5.42236 113.509 -161.735 182.122 -5.42351 182.122 -7.92259 GPRESSURE: 4846400 -356.737 75.7108 -74.5636 102.305 -114.891 171.651 68.4624 254.384 3.24161 PRESSAVG: 4846400 -16.4065 51.7165 37.8259 51.7164 50.9536 -53.1176 37.826 -53.1176 9.85289 GPRESSAVG: 4846400 -16.1565 52.0671 38.0914 50.4148 49.4774 -52.638 39.516 -53.3709 10.8098 TIMING: 4846400 CPU: 14084.4, 0.00291335/step Wall: 14084.4, 0.00291335/step, 0.124303 hours remaining, 206.914062 MB of memory in use. ENERGY: 4846400 738.5169 2053.5888 1945.8310 112.3002 -205920.2983 17557.3455 0.0000 0.0000 34110.2800 -149402.4360 297.8936 -183512.7160 -149312.3130 298.5645 -188.0635 -156.1289 557815.3000 14.8000 14.7102 PRESSURE: 4846600 -187.59 -1.65139 139.809 -1.65135 -126.519 -12.6184 139.81 -12.6166 160.324 GPRESSURE: 4846600 -134.858 39.3372 207.714 64.2103 -75.5765 -49.2331 106.414 -8.77158 150.438 PRESSAVG: 4846600 -33.9035 35.692 5.25215 35.6921 -11.1891 -26.1909 5.25214 -26.191 23.5178 GPRESSAVG: 4846600 -33.1961 37.2482 4.27769 36.0801 -11.039 -29.4739 4.27449 -23.9884 22.66 TIMING: 4846600 CPU: 14085, 0.0028864/step Wall: 14085, 0.0028864/step, 0.122993 hours remaining, 206.914062 MB of memory in use. ENERGY: 4846600 740.1927 2024.8500 1958.7094 113.5906 -206338.2916 17938.2634 0.0000 0.0000 34185.4464 -149377.2391 298.5500 -183562.6855 -149278.1495 299.1002 -51.2616 -19.9986 559094.5883 -7.1916 -7.1917 PRESSURE: 4846800 -316.655 100.558 -14.9883 100.557 -179.316 142.766 -14.9893 142.766 -76.6495 GPRESSURE: 4846800 -283.002 78.7091 26.4079 97.9796 -134.089 124.885 -54.1276 119.299 -50.9651 PRESSAVG: 4846800 3.36055 73.1294 8.77489 73.1295 27.452 34.8199 8.77494 34.82 -16.4935 GPRESSAVG: 4846800 2.52095 71.0827 9.75129 75.6377 28.5331 36.1037 8.21419 34.1417 -16.4207 TIMING: 4846800 CPU: 14085.6, 0.0029039/step Wall: 14085.6, 0.0029039/step, 0.123577 hours remaining, 206.914062 MB of memory in use. ENERGY: 4846800 755.1492 2091.9098 1934.4263 126.3134 -206385.5256 17844.5336 0.0000 0.0000 34116.6845 -149516.5090 297.9495 -183633.1934 -149423.5494 298.7682 -190.8734 -156.0189 558497.8727 4.7730 4.8778 PRESSURE: 4847000 -220.901 23.6252 135.833 23.6247 123.334 16.174 135.832 16.1732 -197.991 GPRESSURE: 4847000 -221.264 -17.1234 156.794 27.8092 126.118 -30.1752 174.61 32.8929 -108.816 PRESSAVG: 4847000 -48.5623 -2.26444 53.5992 -2.26453 49.3153 12.4114 53.5992 12.4113 32.4377 GPRESSAVG: 4847000 -48.3388 -1.64066 54.3972 -4.1076 49.3326 12.9335 52.8402 12.1816 32.3379 TIMING: 4847000 CPU: 14086.2, 0.00289442/step Wall: 14086.2, 0.00289442/step, 0.123013 hours remaining, 206.914062 MB of memory in use. ENERGY: 4847000 746.4861 2079.0172 1957.7771 92.6463 -206271.7846 17869.4567 0.0000 0.0000 34102.5938 -149423.8074 297.8264 -183526.4012 -149322.0811 298.5462 -98.5192 -67.9876 559031.7878 11.0636 11.1106 PRESSURE: 4847200 -77.6844 57.9985 -79.6646 57.9974 52.9708 -144.802 -79.6644 -144.8 165.534 GPRESSURE: 4847200 -44.3795 59.3416 20.4734 144.068 73.9197 -102.726 -99.8718 -180.701 199.156 PRESSAVG: 4847200 16.7401 32.22 12.7233 32.22 6.77655 -39.9948 12.7234 -39.9948 -13.002 GPRESSAVG: 4847200 16.0419 33.2681 11.2087 32.4411 6.66328 -41.05 14.8125 -40.0257 -12.4256 TIMING: 4847200 CPU: 14086.7, 0.00291422/step Wall: 14086.7, 0.00291422/step, 0.123692 hours remaining, 206.914062 MB of memory in use. ENERGY: 4847200 741.0079 2107.9534 1945.1788 119.9632 -206524.2544 18017.2816 0.0000 0.0000 34205.7193 -149387.1502 298.7271 -183592.8696 -149289.6173 298.3922 46.9402 76.2322 556855.9678 3.5049 3.4265 PRESSURE: 4847400 -14.6288 -84.4565 -77.8847 -84.4564 -195.213 -61.156 -77.8843 -61.1555 25.0096 GPRESSURE: 4847400 -35.7014 -143.451 -37.5003 -66.8816 -130.032 -98.9223 -85.864 -22.4292 69.778 PRESSAVG: 4847400 34.7404 22.8499 -19.2938 22.8498 6.10634 -0.092619 -19.2938 -0.092558 -64.7155 GPRESSAVG: 4847400 34.841 22.4059 -18.1825 22.6532 6.0824 1.06707 -20.5157 0.279547 -64.9791 TIMING: 4847400 CPU: 14087.3, 0.00292224/step Wall: 14087.3, 0.00292224/step, 0.12387 hours remaining, 206.914062 MB of memory in use. ENERGY: 4847400 750.2270 2072.2143 1985.2511 106.7985 -206346.2241 17777.4074 0.0000 0.0000 34435.5808 -149218.7450 300.7345 -183654.3258 -149125.7262 298.9902 -61.6108 -31.9853 557163.0878 -7.9563 -8.0186 PRESSURE: 4847600 221.75 -236.579 -1.98682 -236.579 109.644 -10.2426 -1.98816 -10.2441 -65.8336 GPRESSURE: 4847600 272.393 -169.668 31.5201 -238.139 61.3742 100.364 -107.206 -33.6691 33.1061 PRESSAVG: 4847600 -3.44174 16.5984 9.0529 16.5982 34.144 20.3596 9.05294 20.3596 -45.0179 GPRESSAVG: 4847600 -3.18901 16.1412 8.12431 17.7553 33.2688 21.0347 9.79615 19.823 -44.6515 TIMING: 4847600 CPU: 14087.9, 0.00292391/step Wall: 14087.9, 0.00292391/step, 0.123779 hours remaining, 206.914062 MB of memory in use. ENERGY: 4847600 765.0801 2096.5210 1959.4267 116.0831 -206246.4316 17886.6400 0.0000 0.0000 34289.6399 -149133.0408 299.4600 -183422.6807 -149037.8107 299.0442 88.5200 122.2910 556733.4938 -4.7719 -4.8572 PRESSURE: 4847800 71.9005 36.1094 -114.173 36.1104 -33.8998 85.6094 -114.173 85.607 -142.399 GPRESSURE: 4847800 97.5562 81.0708 -106.201 -9.91103 -24.7885 27.556 -130.552 107.318 -73.1084 PRESSAVG: 4847800 6.06838 -2.85773 -1.67181 -2.85769 33.1898 -30.1701 -1.67186 -30.1701 5.42893 GPRESSAVG: 4847800 5.802 -3.16181 1.21843 -4.41418 33.3169 -30.3683 -2.29154 -30.423 5.20197 TIMING: 4847800 CPU: 14088.5, 0.00290789/step Wall: 14088.5, 0.00290789/step, 0.122939 hours remaining, 206.914062 MB of memory in use. ENERGY: 4847800 747.2601 2115.5829 1958.4928 105.4345 -206166.9185 17873.7860 0.0000 0.0000 34372.1118 -148994.2504 300.1802 -183366.3622 -148891.6823 299.4741 -34.7993 -0.1136 558384.1148 14.8957 14.7736 PRESSURE: 4848000 178.761 -88.9662 33.8948 -88.965 -46.0146 82.2753 33.8947 82.2736 -148.948 GPRESSURE: 4848000 206.183 -148.469 60.4633 -54.9022 -18.1662 112.034 83.8578 64.3249 -116.849 PRESSAVG: 4848000 -30.5441 27.8148 -6.24099 27.8148 -4.67037 -15.3708 -6.24085 -15.3709 -2.13085 GPRESSAVG: 4848000 -30.3671 27.409 -7.18165 28.1528 -4.81 -16.3956 -6.42025 -14.6029 -2.24491 TIMING: 4848000 CPU: 14089.1, 0.00290347/step Wall: 14089.1, 0.00290347/step, 0.122591 hours remaining, 206.914062 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: 4848000 714.8504 2080.6390 1939.9025 127.8198 -206023.2468 17743.2286 0.0000 0.0000 34244.3567 -149172.4499 299.0645 -183416.8066 -149073.7170 299.3507 -5.4008 23.7224 558098.2450 -12.4484 -12.4740 PRESSURE: 4848200 -11.7602 172.083 53.68 172.083 -139.866 70.9316 53.6792 70.9334 282.536 GPRESSURE: 4848200 -4.39056 198.767 30.6651 123.018 -97.359 146.74 72.7627 71.4069 312.803 PRESSAVG: 4848200 25.1714 0.734587 50.9546 0.734492 -6.83223 43.1379 50.9548 43.1378 40.1274 GPRESSAVG: 4848200 23.8045 2.10307 48.8235 1.57347 -6.38698 42.9294 51.1189 42.3252 40.9138 TIMING: 4848200 CPU: 14089.7, 0.0029125/step Wall: 14089.7, 0.0029125/step, 0.12281 hours remaining, 206.914062 MB of memory in use. ENERGY: 4848200 740.3257 2102.0555 1943.3110 112.3018 -206222.1257 17860.6679 0.0000 0.0000 34403.9962 -149059.4675 300.4587 -183463.4637 -148956.6081 299.0297 43.6366 70.3513 557240.2066 19.4889 19.4438 LDB: ============= START OF LOAD BALANCING ============== 14093.1 LDB: ============== END OF LOAD BALANCING =============== 14093.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.1 LDB: ============= START OF LOAD BALANCING ============== 14093.4 LDB: Largest compute 4848 load 0.029014 is 24.6% of average load 0.117852 LDB: Average compute 0.001735 is 1.5% of average load 0.117852 LDB: TIME 14093.4 LOAD: AVG 0.117852 MAX 0.188663 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 14093.4 LOAD: AVG 0.117852 MAX 0.188663 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: TIME 14093.4 LOAD: AVG 0.117852 MAX 0.188663 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14093.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14093.4 PRESSURE: 4848400 -111.315 -207.417 -1.80548 -207.416 -60.7737 -147.835 -1.80607 -147.836 254.114 GPRESSURE: 4848400 -78.6135 -149.321 77.3175 -157.863 -51.2695 -92.6902 -60.4746 -97.2619 305.169 PRESSAVG: 4848400 -66.7784 -9.74819 9.3326 -9.74821 -80.3685 59.462 9.33261 59.4619 126.025 GPRESSAVG: 4848400 -65.148 -10.0024 9.83846 -11.9364 -80.9398 59.4822 10.0425 61.2155 125.15 TIMING: 4848400 CPU: 14090.2, 0.00296807/step Wall: 14090.2, 0.00296807/step, 0.124989 hours remaining, 207.414062 MB of memory in use. ENERGY: 4848400 744.1185 2045.4341 1946.2726 122.9907 -206070.4725 17795.5519 0.0000 0.0000 34254.7950 -149161.3097 299.1556 -183416.1046 -149064.3629 299.6264 27.3417 58.4286 558007.8580 -7.0407 -6.9791 PRESSURE: 4848600 113.301 -47.5535 -41.3191 -47.5534 149.904 32.2897 -41.3205 32.2891 174.255 GPRESSURE: 4848600 207.382 93.7972 -32.0688 -107.882 144.246 19.1541 -22.4297 53.1926 181.796 PRESSAVG: 4848600 -65.3231 -4.37304 -6.98793 -4.37307 48.9549 22.4369 -6.98794 22.4368 2.53144 GPRESSAVG: 4848600 -66.2888 -4.11139 -7.78595 -2.53276 47.8267 22.1639 -5.86418 21.902 3.76305 TIMING: 4848600 CPU: 14090.8, 0.0029005/step Wall: 14090.8, 0.0029005/step, 0.121982 hours remaining, 207.414062 MB of memory in use. ENERGY: 4848600 723.4831 2067.3755 1939.4098 120.9971 -206225.9287 17843.1009 0.0000 0.0000 34540.3241 -148991.2384 301.6492 -183531.5624 -148903.8121 299.7267 145.8196 177.8080 557378.6312 -4.6122 -4.8997 PRESSURE: 4848800 -46.7092 84.4331 84.1575 84.4339 -116.971 -94.0257 84.1564 -94.0261 129.094 GPRESSURE: 4848800 2.4293 79.9059 119.93 41.1563 -95.0272 -113.585 56.776 -128.7 161.607 PRESSAVG: 4848800 -2.33661 8.23591 -21.9196 8.23585 -58.6636 64.3503 -21.9197 64.3502 56.5305 GPRESSAVG: 4848800 -2.35243 8.45967 -20.0147 8.17575 -58.01 63.172 -23.8577 64.0207 55.8884 TIMING: 4848800 CPU: 14091.4, 0.00294813/step Wall: 14091.4, 0.00294813/step, 0.123821 hours remaining, 207.414062 MB of memory in use. ENERGY: 4848800 743.2842 2070.4505 1951.9387 127.8818 -206052.0981 17816.1324 0.0000 0.0000 34430.4386 -148911.9720 300.6896 -183342.4105 -148809.5239 300.5585 -11.5288 23.0029 556992.3776 -1.4899 -1.4913 PRESSURE: 4849000 -43.4664 -45.6042 -17.8774 -45.604 39.7303 26.0119 -17.8768 26.0109 240.487 GPRESSURE: 4849000 -8.47778 54.6247 -40.6624 -64.9762 80.2243 95.7902 54.1579 43.4757 248.144 PRESSAVG: 4849000 49.8666 60.1454 -21.8817 60.1454 -65.2937 -16.9626 -21.8817 -16.9626 47.2442 GPRESSAVG: 4849000 50.5696 58.5256 -22.7603 64.0283 -65.5102 -13.3265 -21.009 -18.1079 46.4097 TIMING: 4849000 CPU: 14092, 0.00293282/step Wall: 14092, 0.00293282/step, 0.123016 hours remaining, 207.714844 MB of memory in use. ENERGY: 4849000 726.6568 2040.5504 1939.5586 126.0528 -206181.8707 17958.2767 0.0000 0.0000 34523.8012 -148866.9743 301.5049 -183390.7755 -148773.2729 300.2217 78.9170 106.6301 556677.0059 10.6057 10.4897 PRESSURE: 4849200 -165.218 -74.1826 294.795 -74.1801 31.6574 -104.592 294.794 -104.592 -66.2114 GPRESSURE: 4849200 -162.322 -134.169 237.295 -35.7937 67.5363 -47.2085 302.052 -104.497 -17.9582 PRESSAVG: 4849200 4.69389 46.4586 -13.458 46.4587 11.6781 -32.5663 -13.458 -32.5664 5.99384 GPRESSAVG: 4849200 4.0231 47.3779 -13.1297 43.5483 12.7933 -34.8816 -12.805 -31.9343 5.41548 TIMING: 4849200 CPU: 14092.6, 0.0029171/step Wall: 14092.6, 0.0029171/step, 0.122194 hours remaining, 207.714844 MB of memory in use. ENERGY: 4849200 717.5810 2070.1601 1953.5570 114.9271 -205719.0900 17480.4439 0.0000 0.0000 34368.5566 -149013.8642 300.1492 -183382.4208 -148916.3086 300.5601 -66.5906 -37.5813 558408.9101 7.4553 7.4106 PRESSURE: 4849400 -89.6343 12.5635 68.1952 12.5636 -42.4066 -86.2511 68.1953 -86.2507 -128.35 GPRESSURE: 4849400 -24.676 -5.80698 24.5894 -6.60736 -42.4997 -130.928 132.47 -37.2135 -104.618 PRESSAVG: 4849400 -13.4708 31.721 23.3515 31.7211 38.2913 33.1063 23.3515 33.1064 -13.2937 GPRESSAVG: 4849400 -13.0163 32.3549 23.4471 32.4977 36.8345 32.8512 22.1128 34.1957 -12.1315 TIMING: 4849400 CPU: 14093.2, 0.00293034/step Wall: 14093.2, 0.00293034/step, 0.122586 hours remaining, 207.714844 MB of memory in use. ENERGY: 4849400 731.2342 2101.9756 1929.2948 108.7587 -206080.0732 17772.8008 0.0000 0.0000 34395.1390 -149040.8700 300.3813 -183436.0090 -148942.9459 299.8479 -86.7968 -57.2645 557074.0327 3.8423 3.8956 PRESSURE: 4849600 337.104 -12.268 -125.499 -12.2695 86.032 -88.299 -125.498 -88.2983 148.501 GPRESSURE: 4849600 329.048 22.2647 -207.218 -10.4077 43.5159 -96.7694 -111.249 -101.28 305.341 PRESSAVG: 4849600 -20.7299 -9.87314 -0.385301 -9.87312 11.691 -7.7376 -0.385427 -7.73758 -0.793311 GPRESSAVG: 4849600 -21.2159 -9.93718 0.249149 -10.4623 12.4932 -7.05271 -0.120645 -9.25909 -0.657616 TIMING: 4849600 CPU: 14093.8, 0.00294089/step Wall: 14093.8, 0.00294089/step, 0.122864 hours remaining, 207.925781 MB of memory in use. ENERGY: 4849600 720.9360 2044.3206 1974.7388 114.5263 -206356.9061 18110.5411 0.0000 0.0000 34264.3925 -149127.4509 299.2395 -183391.8434 -149036.0690 300.3784 190.5457 225.9685 556727.5131 -3.2774 -3.1268 PRESSURE: 4849800 212.024 3.68971 28.4654 3.69016 -12.9534 -190.758 28.4653 -190.759 162.31 GPRESSURE: 4849800 289.27 3.83567 16.2446 14.2793 17.8715 -238.37 84.0071 -178.619 170.956 PRESSAVG: 4849800 2.8285 25.601 6.35886 25.601 -10.2607 -73.2147 6.35895 -73.2147 16.5396 GPRESSAVG: 4849800 2.60209 23.5172 5.43245 27.7767 -9.47056 -73.0672 5.50615 -72.7582 15.8659 TIMING: 4849800 CPU: 14094.3, 0.00292782/step Wall: 14094.3, 0.00292782/step, 0.122155 hours remaining, 207.925781 MB of memory in use. ENERGY: 4849800 715.2878 2064.6651 1951.6492 109.1599 -205936.1153 17825.7711 0.0000 0.0000 34235.0874 -149034.4950 298.9835 -183269.5823 -148941.8977 299.6451 120.4601 159.3660 557337.8544 3.0358 2.9992 PRESSURE: 4850000 -137.663 70.133 68.6367 70.1314 -137.387 96.8237 68.6364 96.8243 101.354 GPRESSURE: 4850000 -111.73 45.3048 29.2873 85.8213 -122.119 140.547 18.2352 34.7998 159.823 PRESSAVG: 4850000 -6.00089 -12.0945 0.129269 -12.0945 0.589353 -11.6381 0.129236 -11.638 28.8446 GPRESSAVG: 4850000 -4.24802 -11.152 0.43501 -13.9432 -0.382597 -11.5632 1.20054 -11.1022 28.1993 TIMING: 4850000 CPU: 14094.9, 0.00295201/step Wall: 14094.9, 0.00295201/step, 0.123001 hours remaining, 207.925781 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: 4850000 740.0366 2111.4295 1944.9724 105.0239 -206081.9761 17660.5770 0.0000 0.0000 34198.7124 -149321.2243 298.6659 -183519.9367 -149229.7015 299.5463 -57.8988 -24.6752 557711.0834 7.8110 7.8562 PRESSURE: 4850200 -79.1771 146.659 185.893 146.658 -167.65 -40.7627 185.893 -40.7621 -240.715 GPRESSURE: 4850200 -52.2578 88.4357 232.524 111.556 -169.793 -43.9345 174.877 -8.6804 -166.119 PRESSAVG: 4850200 -8.30807 8.17322 -35.3151 8.17318 -37.7434 -4.90509 -35.3152 -4.90502 39.8253 GPRESSAVG: 4850200 -9.06264 9.07448 -34.0686 8.61155 -37.9835 -2.90095 -35.1863 -6.61286 40.6442 TIMING: 4850200 CPU: 14095.5, 0.00294673/step Wall: 14095.5, 0.00294673/step, 0.122617 hours remaining, 207.925781 MB of memory in use. ENERGY: 4850200 748.8561 2107.7116 1983.1237 125.1518 -205996.2245 17583.5343 0.0000 0.0000 34233.3684 -149214.4786 298.9685 -183447.8470 -149114.9714 298.9849 -162.5139 -129.3901 557163.9365 -2.0754 -2.1340 PRESSURE: 4850400 27.4915 36.0651 -68.5595 36.0638 79.1072 61.6431 -68.5596 61.6438 43.6618 GPRESSURE: 4850400 33.5381 42.379 -53.268 84.4009 165.422 18.4305 -52.1812 73.12 54.0259 PRESSAVG: 4850400 -1.79624 -37.4224 20.4236 -37.4224 -37.9137 7.53261 20.4235 7.53262 41.6258 GPRESSAVG: 4850400 -2.07043 -37.0805 21.7099 -36.5223 -37.7125 4.56812 19.6282 8.36336 41.6347 TIMING: 4850400 CPU: 14096.1, 0.00292602/step Wall: 14096.1, 0.00292602/step, 0.121592 hours remaining, 207.925781 MB of memory in use. ENERGY: 4850400 727.2298 2087.2683 1943.6823 103.4612 -206235.4444 17835.1689 0.0000 0.0000 34227.3552 -149311.2786 298.9160 -183538.6339 -149213.2819 299.1039 50.0868 84.3287 556996.8537 0.6386 0.6173 PRESSURE: 4850600 -119.016 157.66 -102.607 157.66 111.947 8.66092 -102.61 8.66096 48.7862 GPRESSURE: 4850600 -19.8125 182.6 -47.292 113.355 119.692 -24.7643 -152.88 74.8232 40.9021 PRESSAVG: 4850600 -10.6725 37.6994 -6.66649 37.6993 50.1348 -50.1537 -6.66664 -50.1537 -24.1301 GPRESSAVG: 4850600 -10.9077 35.8989 -5.89491 37.172 51.4 -49.498 -8.2854 -50.4394 -25.3859 TIMING: 4850600 CPU: 14096.7, 0.00291021/step Wall: 14096.7, 0.00291021/step, 0.120774 hours remaining, 207.925781 MB of memory in use. ENERGY: 4850600 744.4586 2058.3042 1970.9164 127.0938 -206457.3241 17861.0025 0.0000 0.0000 34589.5748 -149105.9740 302.0794 -183695.5487 -149005.8144 299.4789 13.9057 46.9273 556923.9445 5.1107 5.0355 PRESSURE: 4850800 50.6978 -72.2006 -68.4107 -72.2008 121.722 114.852 -68.4104 114.854 202.065 GPRESSURE: 4850800 146.915 -143.619 -161.388 -86.6332 125.923 184.231 -28.3481 73.2597 213.888 PRESSAVG: 4850800 -13.6978 29.893 22.2501 29.8931 -13.996 41.2191 22.25 41.2192 24.1835 GPRESSAVG: 4850800 -14.1049 30.4642 18.5784 30.5182 -14.8935 41.748 24.6269 41.3248 25.2635 TIMING: 4850800 CPU: 14097.3, 0.00292345/step Wall: 14097.3, 0.00292345/step, 0.121161 hours remaining, 207.925781 MB of memory in use. ENERGY: 4850800 713.2043 2124.4475 1953.9362 123.8450 -206677.9145 18114.4128 0.0000 0.0000 34478.9956 -149169.0731 301.1136 -183648.0687 -149074.7077 300.8104 124.8284 162.2420 557469.7324 -1.1701 -1.2450 PRESSURE: 4851000 -128.956 99.4902 -48.453 99.4889 98.2972 191.529 -48.4512 191.529 -195.094 GPRESSURE: 4851000 -95.7573 102.619 5.35442 47.6701 96.7607 189.142 -146.814 143.929 -119.052 PRESSAVG: 4851000 -92.2243 32.9143 -27.9502 32.9143 58.6622 17.1816 -27.9502 17.1817 -2.70938 GPRESSAVG: 4851000 -91.369 32.9634 -26.7243 31.0378 58.1357 19.4318 -27.4186 17.2627 -3.35825 TIMING: 4851000 CPU: 14097.9, 0.00290381/step Wall: 14097.9, 0.00290381/step, 0.120185 hours remaining, 207.925781 MB of memory in use. ENERGY: 4851000 770.6262 2067.6016 1948.4757 117.3319 -206589.1068 17859.5441 0.0000 0.0000 34347.5341 -149477.9932 299.9656 -183825.5273 -149385.4608 299.1747 -75.2509 -39.3494 557330.5917 -12.0905 -12.1972 PRESSURE: 4851200 -4.01475 -98.9893 117.182 -98.9908 308.646 7.28224 117.182 7.28094 -90.4025 GPRESSURE: 4851200 49.391 12.8071 59.3683 -78.6691 312.97 10.694 66.6708 3.42931 -42.2751 PRESSAVG: 4851200 -29.7967 15.2287 44.162 15.2287 84.129 17.2598 44.1621 17.2597 -44.9916 GPRESSAVG: 4851200 -29.8111 17.0719 45.431 15.8384 83.0553 15.595 42.9919 15.8104 -44.3073 TIMING: 4851200 CPU: 14098.4, 0.00292029/step Wall: 14098.4, 0.00292029/step, 0.120706 hours remaining, 207.925781 MB of memory in use. ENERGY: 4851200 761.5701 2038.2313 1944.6548 100.1530 -206408.9112 17913.1883 0.0000 0.0000 34176.4406 -149474.6729 298.4714 -183651.1136 -149372.2833 299.2686 71.4096 106.6954 556135.6032 3.1135 2.9790 PRESSURE: 4851400 263.591 176.131 26.5618 176.131 383.353 122.171 26.5631 122.171 -34.4801 GPRESSURE: 4851400 259.427 117.825 51.9266 289.092 379.935 27.0975 12.3975 168.651 74.6445 PRESSAVG: 4851400 -23.1325 10.9952 -44.0538 10.9952 63.4432 7.0327 -44.0538 7.03266 -33.1682 GPRESSAVG: 4851400 -22.8221 8.08382 -46.1269 11.6981 63.4693 8.351 -43.9344 8.19511 -34.1819 TIMING: 4851400 CPU: 14099, 0.00292595/step Wall: 14099, 0.00292595/step, 0.120777 hours remaining, 207.925781 MB of memory in use. ENERGY: 4851400 702.6206 2124.8457 1966.8119 108.8220 -206435.9667 17941.2761 0.0000 0.0000 34215.2219 -149376.3685 298.8100 -183591.5904 -149283.6360 299.4661 204.1547 238.0021 556450.1917 2.3808 2.1551 PRESSURE: 4851600 -109.868 -7.95896 174.814 -7.95835 -255.978 -121.415 174.814 -121.416 -70.2016 GPRESSURE: 4851600 -75.4175 70.5726 146.837 -8.90308 -237.943 -65.5154 170.925 -61.5365 -24.4403 PRESSAVG: 4851600 -7.018 89.3197 33.0756 89.3196 30.3595 -38.7307 33.0756 -38.7307 -4.1739 GPRESSAVG: 4851600 -6.79789 91.5213 35.2018 88.5528 29.6807 -39.4381 35.4605 -40.3958 -3.69039 TIMING: 4851600 CPU: 14099.6, 0.00291935/step Wall: 14099.6, 0.00291934/step, 0.120342 hours remaining, 207.925781 MB of memory in use. ENERGY: 4851600 777.3126 2062.4182 1949.9653 102.4459 -206135.1711 17707.9596 0.0000 0.0000 34326.7211 -149208.3485 299.7838 -183535.0695 -149113.5473 299.6302 -145.3493 -112.6004 558965.2663 6.3892 6.3975 PRESSURE: 4851800 -87.9857 -4.96216 130.039 -4.96225 -149.615 -129.327 130.039 -129.326 92.2756 GPRESSURE: 4851800 -6.19364 -56.1576 123.182 19.2265 -117.192 -130.275 79.059 -136.465 86.8276 PRESSAVG: 4851800 -29.9077 -18.549 30.4361 -18.549 45.0896 52.7958 30.4362 52.7957 -0.732036 GPRESSAVG: 4851800 -30.0989 -20.0399 30.7526 -16.9285 45.8503 55.0347 28.8981 53.4362 -1.37781 TIMING: 4851800 CPU: 14100.2, 0.00296526/step Wall: 14100.2, 0.00296526/step, 0.12207 hours remaining, 207.925781 MB of memory in use. ENERGY: 4851800 745.8524 2053.2084 1948.2672 118.7789 -206287.1877 17807.7564 0.0000 0.0000 34432.6871 -149180.6373 300.7092 -183613.3245 -149087.0226 299.3261 -48.4418 -12.1861 558568.6937 4.8166 4.7912 PRESSURE: 4852000 -145.966 63.8252 -64.6137 63.8259 -239.116 128.996 -64.6133 128.997 44.0851 GPRESSURE: 4852000 -74.9154 30.7105 -36.3159 78.4036 -253.096 137.694 -92.5242 79.4329 75.6243 PRESSAVG: 4852000 -41.7002 -28.3816 51.7236 -28.3816 -25.303 -30.6434 51.7235 -30.6433 30.006 GPRESSAVG: 4852000 -42.5858 -27.8179 51.1731 -29.8074 -24.9865 -32.7397 51.3127 -28.1089 30.0583 TIMING: 4852000 CPU: 14100.8, 0.00292377/step Wall: 14100.8, 0.00292377/step, 0.1202 hours remaining, 207.925781 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: 4852000 719.2555 2162.3267 1959.5171 114.7180 -205765.3184 17587.1613 0.0000 0.0000 34079.8887 -149142.4510 297.6281 -183222.3397 -149042.2664 299.5456 -113.6655 -84.1290 557889.7009 -12.3324 -12.5047 PRESSURE: 4852200 -155.002 -27.9866 69.6518 -27.9854 43.4619 -73.6247 69.6519 -73.6254 42.3336 GPRESSURE: 4852200 -87.2721 -49.3959 100.731 -33.2747 137.178 -68.681 -14.7124 -97.6446 -12.9643 PRESSAVG: 4852200 -18.6249 -39.1148 -55.9213 -39.1149 24.4455 1.64241 -55.9214 1.64252 8.49964 GPRESSAVG: 4852200 -18.6122 -39.1346 -54.6039 -39.07 25.0792 3.02529 -56.6179 0.377217 7.73778 TIMING: 4852200 CPU: 14101.4, 0.00295066/step Wall: 14101.4, 0.00295066/step, 0.121141 hours remaining, 207.925781 MB of memory in use. ENERGY: 4852200 773.5984 2083.4315 1963.2951 110.9872 -206280.2174 17848.6369 0.0000 0.0000 34487.7628 -149012.5056 301.1902 -183500.2683 -148913.0467 300.1302 -23.0689 12.3139 557448.7459 4.7734 4.7349 LDB: ============= START OF LOAD BALANCING ============== 14104.9 LDB: ============== END OF LOAD BALANCING =============== 14104.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14104.9 LDB: ============= START OF LOAD BALANCING ============== 14105.1 LDB: Largest compute 4848 load 0.030190 is 25.6% of average load 0.117879 LDB: Average compute 0.001733 is 1.5% of average load 0.117879 LDB: TIME 14105.1 LOAD: AVG 0.117879 MAX 0.190127 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.895 MB LDB: TIME 14105.2 LOAD: AVG 0.117879 MAX 0.190127 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: TIME 14105.2 LOAD: AVG 0.117879 MAX 0.190127 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.965 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14105.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14105.2 PRESSURE: 4852400 129.77 15.0394 9.99998 15.0401 1.32367 -42.6029 9.99986 -42.6033 84.3899 GPRESSURE: 4852400 164.039 48.8683 -47.8493 -25.5729 29.87 -53.0984 1.08127 -113.094 103.373 PRESSAVG: 4852400 16.7999 1.65659 -15.0291 1.65658 -33.3642 -3.73738 -15.0291 -3.73744 24.3804 GPRESSAVG: 4852400 17.7141 0.67477 -16.0093 2.46657 -35.1361 -3.7158 -14.831 -5.28524 25.1984 TIMING: 4852400 CPU: 14102, 0.00299289/step Wall: 14102, 0.00299289/step, 0.122708 hours remaining, 207.804688 MB of memory in use. ENERGY: 4852400 777.8639 2092.9065 1998.1584 118.4710 -206151.8148 17803.0401 0.0000 0.0000 34450.8586 -148910.5162 300.8679 -183361.3749 -148813.7558 300.4033 71.8277 99.0942 557809.0909 2.6054 2.5921 PRESSURE: 4852600 44.608 6.17117 -132.468 6.17057 150.296 219.093 -132.467 219.091 126.39 GPRESSURE: 4852600 28.1163 10.0461 -116.839 28.9374 173.13 328.455 -162.256 188.638 226.145 PRESSAVG: 4852600 -42.3182 5.76818 -33.0074 5.76816 -62.0222 14.3902 -33.0074 14.3901 104.803 GPRESSAVG: 4852600 -43.0526 5.6341 -33.9206 5.94602 -62.2028 11.1682 -33.8431 17.677 105.482 TIMING: 4852600 CPU: 14102.6, 0.00293105/step Wall: 14102.6, 0.00293105/step, 0.12001 hours remaining, 207.804688 MB of memory in use. ENERGY: 4852600 773.7297 2109.0843 1990.5570 134.1360 -206349.3553 18013.5583 0.0000 0.0000 34436.0908 -148892.1993 300.7389 -183328.2900 -148792.5234 300.5921 107.0978 142.4636 558144.1910 0.1542 0.0755 PRESSURE: 4852800 -150.051 43.6056 2.62766 43.606 -287.559 36.0698 2.62702 36.0698 -443.09 GPRESSURE: 4852800 -103.022 18.1394 5.40731 -25.2887 -212.602 -51.5847 -18.6059 49.4385 -467.823 PRESSAVG: 4852800 51.9318 -34.6949 -18.4629 -34.695 0.857082 22.9576 -18.4628 22.9576 -23.0827 GPRESSAVG: 4852800 51.931 -33.3727 -18.4674 -35.7902 1.76563 22.8759 -17.6016 21.1382 -24.116 TIMING: 4852800 CPU: 14103.2, 0.00291915/step Wall: 14103.2, 0.00291915/step, 0.119361 hours remaining, 207.804688 MB of memory in use. ENERGY: 4852800 770.4001 2109.7492 1947.9380 131.8832 -205609.7371 17475.8315 0.0000 0.0000 34314.5417 -148859.3933 299.6774 -183173.9350 -148767.5626 300.6681 -293.5666 -261.1491 559312.0941 9.9021 9.8602 PRESSURE: 4853000 249.248 45.2547 150.881 45.2554 -1.84994 8.37005 150.881 8.37114 -40.9473 GPRESSURE: 4853000 288.819 -36.6251 169.754 141.488 -26.7704 -14.9716 152.216 2.38633 30.0295 PRESSAVG: 4853000 -38.9812 -38.4475 22.6594 -38.4474 74.1581 11.1519 22.6594 11.1518 -29.8251 GPRESSAVG: 4853000 -39.4253 -36.823 24.2321 -39.8509 73.6294 14.0994 22.576 10.3889 -29.2286 TIMING: 4853000 CPU: 14103.7, 0.00292786/step Wall: 14103.7, 0.00292786/step, 0.119554 hours remaining, 207.804688 MB of memory in use. ENERGY: 4853000 786.9919 2174.4911 1954.4804 117.8530 -206157.0142 17769.8312 0.0000 0.0000 34341.1301 -149012.2364 299.9096 -183353.3665 -148919.2341 300.2345 68.8170 97.3594 558409.4378 1.7839 1.6585 PRESSURE: 4853200 -127.665 -20.608 -93.1249 -20.6073 73.4907 -75.1291 -93.1267 -75.1294 374.826 GPRESSURE: 4853200 -41.7018 -39.182 -115.746 -46.0742 134.17 -75.2245 -154.341 -54.0047 326.472 PRESSAVG: 4853200 4.19055 -1.37239 -26.6 -1.37238 58.8385 -16.7582 -26.6001 -16.7581 -5.36641 GPRESSAVG: 4853200 4.38523 -2.27162 -26.8884 -0.52452 59.5177 -19.0234 -24.7706 -15.1551 -6.24943 TIMING: 4853200 CPU: 14104.3, 0.00294371/step Wall: 14104.3, 0.00294371/step, 0.120038 hours remaining, 208.007812 MB of memory in use. ENERGY: 4853200 775.0110 2115.4131 1939.4348 121.6570 -206145.1003 17937.7061 0.0000 0.0000 34230.1795 -149025.6988 298.9407 -183255.8783 -148931.3734 299.8750 106.8839 139.6465 557132.5966 19.2209 19.2178 PRESSURE: 4853400 67.1289 -88.4748 37.9061 -88.4746 241.366 222.845 37.9063 222.843 344.397 GPRESSURE: 4853400 62.43 -106.053 19.889 7.39493 320.911 251.527 33.0273 251.354 357.971 PRESSAVG: 4853400 -66.1414 4.65184 18.8322 4.65185 -4.64764 52.4204 18.8322 52.4204 61.0574 GPRESSAVG: 4853400 -65.0423 4.57006 18.9712 5.48072 -5.90221 52.015 19.2004 53.9739 61.0448 TIMING: 4853400 CPU: 14104.9, 0.00293906/step Wall: 14104.9, 0.00293906/step, 0.119685 hours remaining, 208.007812 MB of memory in use. ENERGY: 4853400 739.5826 2178.0146 1945.9420 125.5908 -206754.9730 18161.1037 0.0000 0.0000 34324.7396 -149279.9997 299.7665 -183604.7393 -149184.4269 299.4170 217.6306 247.1040 557870.0805 -3.2439 -3.2999 PRESSURE: 4853600 197.757 -196.737 -139.962 -196.737 181.751 42.2063 -139.961 42.2063 -0.799952 GPRESSURE: 4853600 246.185 -205.79 -132.152 -215.766 175.561 77.4453 -90.4559 23.3657 52.7053 PRESSAVG: 4853600 -4.42761 0.67337 -9.89245 0.673394 -0.095017 28.3127 -9.89241 28.3126 -13.2772 GPRESSAVG: 4853600 -6.92603 -0.246959 -11.3158 1.64668 1.45426 28.987 -10.5884 26.9026 -12.0817 TIMING: 4853600 CPU: 14105.5, 0.00296174/step Wall: 14105.5, 0.00296174/step, 0.120444 hours remaining, 208.007812 MB of memory in use. ENERGY: 4853600 714.0454 2162.4308 1959.6402 124.2363 -206846.8337 18159.0856 0.0000 0.0000 34331.4718 -149395.9236 299.8253 -183727.3954 -149301.8884 299.1988 126.2360 158.1506 557880.3037 -5.9333 -5.8512 PRESSURE: 4853800 -53.0679 30.6789 -136.732 30.6793 -107.558 24.9349 -136.731 24.9355 31.6144 GPRESSURE: 4853800 -58.2035 20.9046 -92.6597 39.4682 -66.975 60.5379 -61.037 -75.7727 86.6555 PRESSAVG: 4853800 -23.3985 17.8687 32.6335 17.8687 9.28812 2.09166 32.6335 2.09157 30.2766 GPRESSAVG: 4853800 -22.9629 17.3182 33.3968 15.6633 8.96602 4.58294 32.4694 2.08502 30.0335 TIMING: 4853800 CPU: 14106.1, 0.00295605/step Wall: 14106.1, 0.00295605/step, 0.120048 hours remaining, 208.007812 MB of memory in use. ENERGY: 4853800 791.4379 2090.2451 1931.9120 106.9296 -206670.4640 18053.4708 0.0000 0.0000 34257.1510 -149439.3176 299.1762 -183696.4687 -149347.1250 298.6504 -43.0038 -12.8410 559162.9813 5.3887 5.3455 PRESSURE: 4854000 -59.6324 -121.791 -36.0168 -121.791 -190.474 -64.5281 -36.0165 -64.5298 -143.043 GPRESSURE: 4854000 -44.2405 -164.827 -35.8199 -63.3074 -96.7913 -72.1443 -53.1795 -212.905 -148.233 PRESSAVG: 4854000 -8.84721 48.1471 -7.62711 48.1471 34.6173 -36.963 -7.62708 -36.963 -40.9077 GPRESSAVG: 4854000 -9.10326 48.3636 -6.59271 47.8635 35.5194 -38.1894 -7.75502 -39.4447 -41.8288 TIMING: 4854000 CPU: 14106.7, 0.00293602/step Wall: 14106.7, 0.00293602/step, 0.119072 hours remaining, 208.007812 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: 4854000 764.2149 2108.1553 1949.0431 105.3369 -206330.7929 17725.9897 0.0000 0.0000 34342.5336 -149335.5194 299.9219 -183678.0530 -149238.6348 299.1823 -131.0498 -96.4218 557313.2043 -5.0459 -5.1376 PRESSURE: 4854200 69.1451 22.335 -33.6461 22.3358 -10.319 -38.4646 -33.6463 -38.4653 152.876 GPRESSURE: 4854200 88.0926 10.8393 -151.911 102.594 -5.69218 -41.1816 64.3237 -33.5484 219.946 PRESSAVG: 4854200 14.3054 8.386 -119.309 8.38599 3.40112 1.51236 -119.309 1.5124 -50.4983 GPRESSAVG: 4854200 14.8037 6.34572 -119.664 11.1953 3.27952 -0.132884 -118.939 4.71981 -49.8905 TIMING: 4854200 CPU: 14107.3, 0.00291005/step Wall: 14107.3, 0.00291005/step, 0.117857 hours remaining, 208.007812 MB of memory in use. ENERGY: 4854200 763.8031 2093.5125 1977.5612 114.0582 -206285.9763 17876.0228 0.0000 0.0000 34146.7529 -149314.2655 298.2121 -183461.0185 -149216.7477 299.2388 70.5674 100.7822 557105.1392 -10.9306 -10.6024 PRESSURE: 4854400 38.1768 90.1535 -39.241 90.1532 26.827 80.6871 -39.2418 80.6861 -24.4491 GPRESSURE: 4854400 82.2156 78.3133 -11.7265 117.357 102.309 44.4214 -34.4324 91.8579 -52.0345 PRESSAVG: 4854400 72.2944 1.87241 -43.6687 1.87246 -50.1269 -19.0476 -43.6685 -19.0477 21.9789 GPRESSAVG: 4854400 72.5525 5.38693 -45.2288 0.397383 -50.287 -17.7583 -42.5991 -18.3012 22.0559 TIMING: 4854400 CPU: 14107.9, 0.00292271/step Wall: 14107.9, 0.00292271/step, 0.118207 hours remaining, 208.007812 MB of memory in use. ENERGY: 4854400 793.5528 2071.7014 1966.8398 121.4826 -206187.0873 17793.0319 0.0000 0.0000 34190.5463 -149249.9325 298.5945 -183440.4789 -149152.0534 299.2244 13.5182 44.1632 557213.6862 14.7155 14.7738 PRESSURE: 4854600 -135.18 -142.993 -87.4836 -142.994 -106.194 -78.6685 -87.4842 -78.6693 -408.203 GPRESSURE: 4854600 -85.7905 -86.621 -122.927 -205.338 -93.0871 -97.6244 -42.1438 -84.7943 -383.538 PRESSAVG: 4854600 13.5466 5.25612 -3.81273 5.25621 53.3184 -3.98474 -3.81274 -3.98486 -8.11319 GPRESSAVG: 4854600 13.683 5.27968 -1.71393 4.83814 53.1679 -5.4357 -4.42317 -3.75659 -7.8947 TIMING: 4854600 CPU: 14108.4, 0.0029285/step Wall: 14108.4, 0.0029285/step, 0.118279 hours remaining, 208.007812 MB of memory in use. ENERGY: 4854600 717.8110 2034.4691 1963.9397 116.4242 -205846.1685 17402.7166 0.0000 0.0000 34271.3020 -149339.5059 299.2998 -183610.8079 -149242.2042 299.5604 -216.5254 -187.4717 558243.2081 19.5839 19.6521 PRESSURE: 4854800 219.277 -24.1393 52.8113 -24.1409 197.872 76.9799 52.8108 76.9808 -55.7887 GPRESSURE: 4854800 217.02 107.436 67.2146 -114.42 191.689 147.494 31.2992 83.3428 55.9489 PRESSAVG: 4854800 -1.71669 -21.5067 -47.9895 -21.5067 31.6265 -41.1001 -47.9896 -41.1 -31.7525 GPRESSAVG: 4854800 -2.88634 -20.8877 -46.8525 -21.6858 32.3505 -39.2177 -48.2442 -44.5721 -31.7497 TIMING: 4854800 CPU: 14109, 0.0029395/step Wall: 14109, 0.0029395/step, 0.11856 hours remaining, 208.007812 MB of memory in use. ENERGY: 4854800 728.4318 2087.0064 1958.0314 117.3341 -206450.7547 17949.9034 0.0000 0.0000 34339.2657 -149270.7819 299.8933 -183610.0477 -149172.2730 299.2466 120.4533 154.8858 558034.0411 -0.6142 -0.7619 PRESSURE: 4855000 -82.0463 -30.3605 76.5317 -30.3603 99.3972 -30.9397 76.5317 -30.9403 2.27449 GPRESSURE: 4855000 -67.1989 -37.2144 101.781 -49.5236 155.286 -82.0405 55.157 77.5537 22.0583 PRESSAVG: 4855000 14.4218 -17.8688 23.8515 -17.8689 20.4658 5.86581 23.8516 5.86588 -16.5864 GPRESSAVG: 4855000 15.9216 -19.2911 23.0257 -15.7834 19.2279 5.65973 23.3958 6.39144 -16.9152 TIMING: 4855000 CPU: 14109.6, 0.00293138/step Wall: 14109.6, 0.00293138/step, 0.118069 hours remaining, 208.007812 MB of memory in use. ENERGY: 4855000 728.8507 2115.7653 1960.8284 97.6525 -206212.4470 17855.9680 0.0000 0.0000 34296.4094 -149156.9726 299.5191 -183453.3820 -149057.2949 299.9863 6.5418 36.7150 560077.4016 6.1004 6.0781 PRESSURE: 4855200 -32.3129 -82.7501 -8.99835 -82.7501 -146.144 218.946 -8.99578 218.948 31.5106 GPRESSURE: 4855200 6.18267 -72.7085 -15.8785 -0.844147 -130.807 292.635 28.9757 130.579 66.0846 PRESSAVG: 4855200 -17.9274 20.56 -28.6468 20.56 -7.97542 -15.9839 -28.6467 -15.9839 28.9941 GPRESSAVG: 4855200 -18.1552 20.2924 -28.7088 20.41 -7.17012 -16.8567 -29.7498 -15.6846 28.2652 TIMING: 4855200 CPU: 14110.2, 0.00290973/step Wall: 14110.2, 0.00290973/step, 0.117036 hours remaining, 208.007812 MB of memory in use. ENERGY: 4855200 762.4325 2065.0462 1944.4517 117.5420 -206238.8903 17919.9440 0.0000 0.0000 34297.8086 -149131.6652 299.5313 -183429.4738 -149032.0101 299.7829 -48.9821 -19.5132 559103.7396 1.0304 0.9800 PRESSURE: 4855400 1.87514 -67.6669 7.72855 -67.6659 157.572 170.883 7.72748 170.882 -42.98 GPRESSURE: 4855400 12.7052 -14.6715 -23.0885 -173.972 191.5 184.872 -25.0105 193.955 -2.02236 PRESSAVG: 4855400 -49.0103 68.9257 -44.2988 68.9258 -10.3867 -13.9467 -44.2988 -13.9467 0.728067 GPRESSAVG: 4855400 -49.2019 69.9068 -44.9224 66.4373 -10.339 -11.8311 -44.5268 -14.6008 1.15101 TIMING: 4855400 CPU: 14110.8, 0.00293077/step Wall: 14110.8, 0.00293077/step, 0.117719 hours remaining, 208.007812 MB of memory in use. ENERGY: 4855400 739.2715 2105.3226 1951.6514 107.7107 -206081.5294 17920.8113 0.0000 0.0000 34085.7361 -149171.0258 297.6792 -183256.7619 -149073.9724 299.4222 38.8225 67.3943 558399.6172 -19.5563 -19.4633 PRESSURE: 4855600 -129.613 -9.05258 114.783 -9.05301 -204.967 -35.7658 114.784 -35.7662 -297.839 GPRESSURE: 4855600 -148.805 -60.5929 41.8846 75.5213 -117.796 -48.9298 70.9707 -121.706 -289.989 PRESSAVG: 4855600 10.2201 4.39366 40.7714 4.39364 29.4158 13.3737 40.7714 13.3737 -14.1306 GPRESSAVG: 4855600 11.1481 3.6119 40.9879 6.17325 28.4536 12.9007 40.026 13.6156 -14.1832 TIMING: 4855600 CPU: 14111.4, 0.00292795/step Wall: 14111.4, 0.00292795/step, 0.117443 hours remaining, 208.007812 MB of memory in use. ENERGY: 4855600 755.0037 2035.9982 1951.1230 114.9105 -206216.9258 17593.4380 0.0000 0.0000 34404.8979 -149361.5545 300.4665 -183766.4524 -149255.7022 298.9963 -210.8062 -185.5303 558985.2091 8.5017 8.4728 PRESSURE: 4855800 -137.083 -70.5899 8.19453 -70.5896 -215.043 22.8243 8.19487 22.8255 -317.151 GPRESSURE: 4855800 -80.0287 -79.82 -57.8419 -77.5222 -237.469 40.231 103.722 20.2625 -260.081 PRESSAVG: 4855800 4.87102 -0.83901 4.46473 -0.839006 29.7556 35.3929 4.46461 35.3928 -86.1606 GPRESSAVG: 4855800 4.26405 1.39122 4.10483 -1.59095 30.6054 34.2697 7.19606 36.696 -86.106 TIMING: 4855800 CPU: 14111.9, 0.00292502/step Wall: 14111.9, 0.00292502/step, 0.117163 hours remaining, 208.007812 MB of memory in use. ENERGY: 4855800 745.4638 2065.7440 1990.3489 110.6352 -205862.9958 17567.0275 0.0000 0.0000 34174.4721 -149209.3044 298.4542 -183383.7765 -149111.2596 298.6577 -223.0925 -192.5262 560291.9982 -17.1780 -17.0789 PRESSURE: 4856000 41.463 -79.6083 122.228 -79.6082 198.414 -94.6613 122.228 -94.6616 -243.725 GPRESSURE: 4856000 80.0907 28.1749 29.793 -88.9081 235.418 -82.5064 181.58 -121.186 -213.355 PRESSAVG: 4856000 26.9066 20.8957 -30.2722 20.8957 -36.5239 14.9715 -30.2722 14.9716 0.89317 GPRESSAVG: 4856000 26.9081 18.2218 -30.2689 21.3256 -35.9936 16.0037 -32.4063 14.4134 1.09501 TIMING: 4856000 CPU: 14112.5, 0.00293551/step Wall: 14112.5, 0.00293551/step, 0.11742 hours remaining, 208.007812 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: 4856000 756.2669 2061.9258 1954.2052 119.1202 -205948.9744 17831.9785 0.0000 0.0000 34065.6988 -149159.7789 297.5042 -183225.4777 -149065.0247 298.8037 -1.2827 34.0511 559768.6724 -2.9081 -2.6635 PRESSURE: 4856200 23.9216 1.33347 -90.9663 1.33137 86.1945 -80.9161 -90.9673 -80.9169 -103.748 GPRESSURE: 4856200 81.0578 46.4113 -112.254 -1.15596 91.1553 -111.513 -110.765 -14.7847 -76.1123 PRESSAVG: 4856200 -26.3105 41.974 10.3325 41.974 46.2964 -30.6212 10.3325 -30.6211 -11.749 GPRESSAVG: 4856200 -26.2906 44.5006 7.82496 41.0427 45.5999 -30.5288 11.4954 -31.8856 -10.8238 TIMING: 4856200 CPU: 14113.1, 0.00293279/step Wall: 14113.1, 0.00293279/step, 0.117149 hours remaining, 208.007812 MB of memory in use. ENERGY: 4856200 722.7858 2054.2548 1954.5971 112.2750 -206161.4415 17874.1321 0.0000 0.0000 34264.4055 -149178.9912 299.2396 -183443.3967 -149081.9802 298.7188 2.1228 32.0336 560111.7674 2.7456 2.8285 LDB: ============= START OF LOAD BALANCING ============== 14116.6 LDB: ============== END OF LOAD BALANCING =============== 14116.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14116.6 LDB: ============= START OF LOAD BALANCING ============== 14116.9 LDB: Largest compute 4848 load 0.031599 is 26.8% of average load 0.117788 LDB: Average compute 0.001734 is 1.5% of average load 0.117788 LDB: TIME 14116.9 LOAD: AVG 0.117788 MAX 0.192551 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 14116.9 LOAD: AVG 0.117788 MAX 0.192551 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: TIME 14116.9 LOAD: AVG 0.117788 MAX 0.192551 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14116.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14116.9 PRESSURE: 4856400 -302.474 -102.096 55.4671 -102.098 -95.0841 -25.2569 55.4661 -25.2571 20.8494 GPRESSURE: 4856400 -317.522 -155.559 -38.838 25.1357 -49.1693 60.505 132.339 68.3356 91.0991 PRESSAVG: 4856400 -43.0838 -28.9295 18.821 -28.9293 33.9314 -30.4522 18.8209 -30.452 20.1812 GPRESSAVG: 4856400 -41.8664 -31.8985 19.4916 -28.4779 33.314 -32.0715 19.9142 -30.0418 19.3054 TIMING: 4856400 CPU: 14113.7, 0.00298272/step Wall: 14113.7, 0.00298272/step, 0.118977 hours remaining, 206.902344 MB of memory in use. ENERGY: 4856400 773.9696 2100.4213 1944.1643 112.6241 -206380.1479 17839.5006 0.0000 0.0000 34368.4596 -149241.0085 300.1483 -183609.4680 -149150.6422 298.7621 -125.5696 -91.8642 559783.4144 3.6763 3.5843 PRESSURE: 4856600 -211.894 26.8182 -120.786 26.8191 -167.544 59.9155 -120.786 59.9156 -327.246 GPRESSURE: 4856600 -175.991 -12.2942 -149.714 74.8365 -181.646 21.4037 -121.284 171.329 -255.133 PRESSAVG: 4856600 -45.9387 -37.4629 2.25891 -37.463 -9.8586 7.67821 2.25889 7.67822 55.5514 GPRESSAVG: 4856600 -47.1532 -37.1274 2.26036 -36.84 -9.67248 8.83543 0.684238 9.92783 56.6791 TIMING: 4856600 CPU: 14114.3, 0.00293001/step Wall: 14114.3, 0.00293001/step, 0.116712 hours remaining, 207.171875 MB of memory in use. ENERGY: 4856600 763.6834 2076.7797 1963.7830 113.4998 -206319.0202 17743.3130 0.0000 0.0000 34501.5716 -149156.3898 301.3108 -183657.9614 -149052.2248 299.7084 -235.5615 -204.2569 559591.3773 -0.0820 -0.0488 PRESSURE: 4856800 94.8286 18.3903 -175.153 18.3908 117.741 -141.694 -175.152 -141.695 -186.348 GPRESSURE: 4856800 102.842 41.799 -187.413 24.9666 152.883 -107.469 -142.907 -141.598 -156.552 PRESSAVG: 4856800 25.381 25.3251 -38.7297 25.3252 10.2647 29.6946 -38.7298 29.6946 -55.6964 GPRESSAVG: 4856800 25.6305 25.676 -37.3348 24.5322 10.5218 31.2436 -39.1692 28.4253 -56.7706 TIMING: 4856800 CPU: 14114.9, 0.00290119/step Wall: 14114.9, 0.00290119/step, 0.115403 hours remaining, 207.171875 MB of memory in use. ENERGY: 4856800 761.6223 2051.0470 1948.9690 108.4573 -206802.0351 18234.0333 0.0000 0.0000 34200.2785 -149497.6278 298.6795 -183697.9063 -149398.4413 298.9861 8.7408 33.0576 559099.3141 -6.6836 -6.8728 PRESSURE: 4857000 65.3558 60.3609 -23.0327 60.3604 -9.81398 8.67353 -23.0318 8.67337 -86.1447 GPRESSURE: 4857000 115.255 105.372 -43.4058 -30.8434 57.2514 -6.17404 -54.2966 8.10278 -98.1797 PRESSAVG: 4857000 -3.12384 27.8271 -33.9502 27.8272 -54.7221 -33.9027 -33.9503 -33.9028 57.7467 GPRESSAVG: 4857000 -3.71171 27.9577 -34.0676 28.1299 -54.2434 -35.6427 -34.0935 -32.0641 58.1596 TIMING: 4857000 CPU: 14115.5, 0.00290599/step Wall: 14115.5, 0.00290599/step, 0.115432 hours remaining, 207.433594 MB of memory in use. ENERGY: 4857000 750.0217 2039.4805 1944.8401 112.5020 -206565.4920 18030.2730 0.0000 0.0000 34093.9683 -149594.4064 297.7511 -183688.3747 -149495.7119 298.9620 -10.2010 24.7756 558427.2806 -0.0331 0.0681 PRESSURE: 4857200 -60.1387 146.933 -94.249 146.932 -1.14312 -29.4469 -94.2484 -29.4472 -156.289 GPRESSURE: 4857200 -33.2015 153.717 -61.7123 145.051 47.2246 48.2278 -107.04 -82.9207 -133.617 PRESSAVG: 4857200 57.4431 63.5184 27.8029 63.5183 -32.4482 23.7307 27.8028 23.7308 20.3607 GPRESSAVG: 4857200 55.8779 63.6765 27.6721 62.5402 -31.7136 23.3994 28.0442 22.1824 21.4589 TIMING: 4857200 CPU: 14116, 0.00291291/step Wall: 14116, 0.00291291/step, 0.115546 hours remaining, 207.433594 MB of memory in use. ENERGY: 4857200 717.6465 2054.7064 1968.2006 102.5571 -206808.1660 17951.8332 0.0000 0.0000 34452.2268 -149560.9955 300.8799 -184013.2223 -149472.9720 298.1990 -72.5236 -39.8645 557841.8181 15.1185 15.2077 PRESSURE: 4857400 6.32677 7.43588 88.1116 7.43601 340.22 -147.452 88.1109 -147.451 -49.4897 GPRESSURE: 4857400 79.2325 -28.25 51.712 50.5364 362.895 -125.205 58.8611 -204.345 -46.8212 PRESSAVG: 4857400 6.68576 -3.85565 8.93706 -3.85555 17.7045 24.3146 8.93714 24.3146 -50.6152 GPRESSAVG: 4857400 7.84158 -3.63226 6.78175 -3.71687 17.4006 25.1785 10.8841 22.088 -51.5335 TIMING: 4857400 CPU: 14116.6, 0.00291226/step Wall: 14116.6, 0.00291226/step, 0.115358 hours remaining, 207.433594 MB of memory in use. ENERGY: 4857400 772.6901 2051.2983 1947.5731 103.6321 -206712.3187 18068.7498 0.0000 0.0000 34257.3704 -149511.0048 299.1781 -183768.3752 -149414.6193 298.9688 99.0190 131.7688 557578.8905 -8.7417 -8.7638 PRESSURE: 4857600 28.8553 -101.42 7.45919 -101.419 -181.59 -188.766 7.45979 -188.766 -128.278 GPRESSURE: 4857600 -24.5718 -89.4302 -37.2621 -78.7292 -56.8645 -172.602 94.2486 -134.225 -109.939 PRESSAVG: 4857600 12.1688 -3.31118 5.04257 -3.31109 5.24273 -15.824 5.04255 -15.8242 -9.59502 GPRESSAVG: 4857600 10.8763 -3.39865 7.00478 -4.36627 4.62566 -16.2029 4.14777 -13.6185 -8.28331 TIMING: 4857600 CPU: 14117.2, 0.00290657/step Wall: 14117.2, 0.00290657/step, 0.114971 hours remaining, 207.484375 MB of memory in use. ENERGY: 4857600 706.1290 2084.4839 1938.1408 103.8645 -206008.1757 17600.7167 0.0000 0.0000 34122.3155 -149452.5253 297.9987 -183574.8407 -149361.2277 298.8857 -93.6710 -63.7920 558772.8299 2.6055 2.4062 PRESSURE: 4857800 -311.451 7.48424 39.4415 7.48357 -282.603 123.451 39.4398 123.451 -335.841 GPRESSURE: 4857800 -234.219 35.3127 129.98 29.5265 -257.526 142.867 -18.9544 115.642 -334.187 PRESSAVG: 4857800 -33.2728 4.58269 -36.5429 4.58277 -37.3847 40.0367 -36.5429 40.0367 43.976 GPRESSAVG: 4857800 -32.2084 5.30652 -36.4848 5.43449 -38.2434 38.1502 -37.4675 39.6977 43.6585 TIMING: 4857800 CPU: 14117.8, 0.00289114/step Wall: 14117.8, 0.00289114/step, 0.1142 hours remaining, 207.484375 MB of memory in use. ENERGY: 4857800 738.2880 2096.2090 1940.3947 102.5406 -205559.1743 17295.4389 0.0000 0.0000 34057.1559 -149329.1473 297.4296 -183386.3032 -149239.0759 298.2067 -309.9651 -275.3104 558840.0273 -8.8938 -8.9311 PRESSURE: 4858000 -86.8209 -20.5166 86.4189 -20.5179 12.1985 -97.8537 86.4186 -97.8528 113.325 GPRESSURE: 4858000 -54.8968 54.5526 187.45 -17.2914 88.3772 -48.9203 72.309 -75.3333 109.034 PRESSAVG: 4858000 -66.1161 0.502387 15.8185 0.502397 -9.68907 35.8233 15.8185 35.8232 51.1104 GPRESSAVG: 4858000 -66.2637 -0.203969 16.2264 0.846081 -9.86095 38.3394 14.7687 36.0228 50.9259 TIMING: 4858000 CPU: 14118.4, 0.00291901/step Wall: 14118.4, 0.00291901/step, 0.115139 hours remaining, 207.484375 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: 4858000 761.1243 2083.2634 1977.9120 104.7193 -206591.9213 18036.0399 0.0000 0.0000 34193.4979 -149435.3644 298.6203 -183628.8623 -149344.1006 298.4267 12.9009 47.5049 557496.1422 -8.2316 -8.3996 PRESSURE: 4858200 68.1355 67.5692 18.3871 67.5684 -25.4919 -15.885 18.3882 -15.885 49.6205 GPRESSURE: 4858200 135.949 50.9697 94.4081 120.512 0.764233 19.5706 -23.4404 -26.3002 42.403 PRESSAVG: 4858200 -9.11781 28.5381 11.4144 28.5382 -5.72939 23.2695 11.4145 23.2695 23.7568 GPRESSAVG: 4858200 -8.25184 30.0146 9.06873 27.3709 -5.34109 20.418 12.9044 24.2714 22.5036 TIMING: 4858200 CPU: 14119, 0.002922/step Wall: 14119, 0.002922/step, 0.115094 hours remaining, 207.484375 MB of memory in use. ENERGY: 4858200 764.5262 2035.7192 1960.5742 107.2277 -206554.3043 17991.3348 0.0000 0.0000 34290.7128 -149404.2094 299.4693 -183694.9222 -149300.8014 299.2527 30.7547 59.7054 556521.4215 2.9699 2.9702 PRESSURE: 4858400 -166.579 127.858 -29.2168 127.858 -110.719 36.9059 -29.2167 36.9054 64.5115 GPRESSURE: 4858400 -132.336 99.3445 -73.8044 144.206 -114.759 68.2115 -6.30879 91.0937 118.182 PRESSAVG: 4858400 -32.129 32.9027 35.8403 32.9027 -2.38905 17.9424 35.8402 17.9424 47.4437 GPRESSAVG: 4858400 -32.7358 31.4215 37.7526 32.9547 -2.89446 19.5591 34.6898 17.0866 47.8326 TIMING: 4858400 CPU: 14119.5, 0.00291099/step Wall: 14119.5, 0.00291099/step, 0.114499 hours remaining, 207.484375 MB of memory in use. ENERGY: 4858400 714.1423 2093.3355 1946.4293 109.8678 -206203.9344 17748.5969 0.0000 0.0000 34121.3426 -149470.2200 297.9902 -183591.5626 -149377.4202 298.6410 -70.9287 -42.9708 557439.2673 4.3086 4.0675 PRESSURE: 4858600 -250.432 114.495 54.5176 114.495 -246.437 -41.1965 54.5176 -41.1972 95.1965 GPRESSURE: 4858600 -292.123 160.296 70.1063 207.341 -171.055 -21.5039 31.3368 -47.1158 152.184 PRESSAVG: 4858600 8.01313 55.3592 -34.36 55.3592 -75.1476 21.1137 -34.36 21.1137 44.9136 GPRESSAVG: 4858600 7.34289 56.3384 -34.7422 56.3368 -74.6142 20.3384 -32.7455 21.337 45.3517 TIMING: 4858600 CPU: 14120.1, 0.00291448/step Wall: 14120.1, 0.00291448/step, 0.114474 hours remaining, 207.484375 MB of memory in use. ENERGY: 4858600 740.7492 2107.1019 1923.9105 117.7448 -206115.6849 17571.2061 0.0000 0.0000 34324.3858 -149330.5867 299.7634 -183654.9725 -149235.2341 298.3892 -133.8909 -103.6646 557131.2570 -7.4069 -7.3065 PRESSURE: 4858800 112.577 -17.5903 52.8705 -17.5907 402.565 -200.147 52.8696 -200.148 102.784 GPRESSURE: 4858800 126.206 -4.39641 126.188 -2.30338 424.351 -249.391 -2.29905 -184.516 169.164 PRESSAVG: 4858800 -28.7982 13.7527 6.1501 13.7527 82.1893 -17.3549 6.15012 -17.355 -59.792 GPRESSAVG: 4858800 -27.7828 15.8569 6.66267 11.0318 80.6274 -17.1892 7.06137 -17.4726 -59.3002 TIMING: 4858800 CPU: 14120.7, 0.00291122/step Wall: 14120.7, 0.00291122/step, 0.114185 hours remaining, 207.484375 MB of memory in use. ENERGY: 4858800 719.2716 2103.2623 1951.7064 113.0466 -206386.4723 17935.9022 0.0000 0.0000 34069.1497 -149494.1335 297.5344 -183563.2832 -149394.8139 299.1998 205.9753 239.9071 554937.6226 -2.1336 -2.1519 PRESSURE: 4859000 -405.443 72.3939 66.9621 72.3935 -146.532 -54.299 66.9628 -54.2981 -123.369 GPRESSURE: 4859000 -346.769 73.7553 82.8596 24.8112 -124.293 2.0539 142.338 -43.1178 -112.063 PRESSAVG: 4859000 -45.8851 -24.0133 5.00609 -24.0133 35.0284 7.98925 5.00607 7.9892 5.90686 GPRESSAVG: 4859000 -47.3821 -26.7697 4.12247 -23.0405 36.6883 8.28028 3.67451 6.48641 4.99364 TIMING: 4859000 CPU: 14121.3, 0.00291022/step Wall: 14121.3, 0.00291022/step, 0.113984 hours remaining, 207.484375 MB of memory in use. ENERGY: 4859000 710.0653 2108.3038 1963.3892 123.6444 -206090.7203 17429.0708 0.0000 0.0000 34028.5047 -149727.7420 297.1794 -183756.2468 -149631.1301 297.5850 -225.1150 -194.3747 557892.7501 -1.6500 -1.9000 PRESSURE: 4859200 -137.629 260.491 -81.0992 260.491 132.331 -40.8459 -81.099 -40.8452 -281.233 GPRESSURE: 4859200 -97.913 157.312 -45.5414 317.016 114.333 25.4979 -97.666 -93.4477 -205.38 PRESSAVG: 4859200 -85.3337 -13.9434 34.0503 -13.9434 143.908 18.2233 34.0502 18.2233 -31.9666 GPRESSAVG: 4859200 -85.3641 -14.0832 34.9926 -14.0718 142.957 15.6395 32.746 21.2865 -30.9932 TIMING: 4859200 CPU: 14121.9, 0.00288294/step Wall: 14121.9, 0.00288294/step, 0.112755 hours remaining, 207.484375 MB of memory in use. ENERGY: 4859200 732.3693 2078.1971 1947.2072 106.6893 -206355.3378 17720.9291 0.0000 0.0000 34113.8284 -149656.1173 297.9245 -183769.9458 -149558.4885 297.3007 -95.5106 -62.9867 557130.3235 8.8692 8.8667 PRESSURE: 4859400 -131.493 3.61724 -161.192 3.6177 -143.708 116.175 -161.192 116.173 260.102 GPRESSURE: 4859400 -135.324 38.1602 -140.462 29.9769 -79.4521 -7.56714 -216.005 119.788 298.67 PRESSAVG: 4859400 10.2579 14.3979 -47.5453 14.3979 36.6736 -56.499 -47.5455 -56.4988 -33.2844 GPRESSAVG: 4859400 11.3798 14.2555 -48.1219 16.6283 37.2859 -52.2974 -48.6408 -58.0853 -34.7775 TIMING: 4859400 CPU: 14122.4, 0.00290318/step Wall: 14122.4, 0.00290318/step, 0.113385 hours remaining, 207.484375 MB of memory in use. ENERGY: 4859400 713.1934 2042.4124 1978.4396 118.5975 -206699.7554 17916.2333 0.0000 0.0000 34106.5259 -149824.3533 297.8608 -183930.8791 -149733.1770 298.1349 -5.0330 27.9645 556996.3979 4.5490 4.6294 PRESSURE: 4859600 -129.698 122.874 44.5873 122.873 -56.4383 -61.9153 44.588 -61.915 321.287 GPRESSURE: 4859600 -51.3925 116.046 75.8871 95.2645 29.4689 60.5235 86.839 -68.2196 253.506 PRESSAVG: 4859600 -1.44777 15.206 -48.6833 15.206 -59.3723 -84.7153 -48.6834 -84.7153 36.1441 GPRESSAVG: 4859600 -1.20202 16.899 -47.917 14.1334 -59.4869 -86.355 -49.0403 -86.0518 36.0262 TIMING: 4859600 CPU: 14123, 0.00292785/step Wall: 14123, 0.00292785/step, 0.114186 hours remaining, 207.484375 MB of memory in use. ENERGY: 4859600 730.1459 2057.7471 1959.1657 113.7618 -206692.4379 17879.2717 0.0000 0.0000 34221.4110 -149730.9346 298.8641 -183952.3456 -149645.4964 297.4749 45.0501 77.1942 558242.7207 -8.2253 -8.2209 PRESSURE: 4859800 -14.8245 -153.691 2.37588 -153.69 8.82307 -126.013 2.37607 -126.014 23.9217 GPRESSURE: 4859800 42.7694 -27.8309 -14.7854 -206.003 -0.961545 -144.91 43.4169 -153.77 77.3681 PRESSAVG: 4859800 28.6504 21.8578 -18.3069 21.8578 36.5993 -30.1271 -18.3068 -30.127 -63.7339 GPRESSAVG: 4859800 28.5453 21.2177 -17.8966 23.2341 35.6146 -30.0938 -16.764 -29.1433 -62.9896 TIMING: 4859800 CPU: 14123.6, 0.00290457/step Wall: 14123.6, 0.00290457/step, 0.113117 hours remaining, 207.484375 MB of memory in use. ENERGY: 4859800 743.1764 2055.3291 1950.6984 109.3627 -206629.1735 17943.1560 0.0000 0.0000 34056.6047 -149770.8462 297.4248 -183827.4509 -149677.4054 297.8977 5.9734 39.7253 557212.0924 0.5052 0.3901 PRESSURE: 4860000 41.6589 -38.8848 -93.6385 -38.8845 97.2391 -3.86068 -93.6391 -3.86202 95.8766 GPRESSURE: 4860000 50.0907 -65.5439 -47.6589 -47.0476 120.177 82.1259 -91.2217 -162.772 142.375 PRESSAVG: 4860000 -10.9266 -0.771039 -40.2131 -0.770912 34.6363 -7.96594 -40.2132 -7.96587 19.1153 GPRESSAVG: 4860000 -11.2158 -1.62775 -40.8302 -2.18386 34.8067 -5.71065 -40.2416 -8.31579 19.9929 TIMING: 4860000 CPU: 14124.2, 0.00289759/step Wall: 14124.2, 0.00289759/step, 0.112684 hours remaining, 207.484375 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: 4860000 754.5623 2074.2309 1947.5431 110.4675 -206603.4875 17997.3020 0.0000 0.0000 33991.0778 -149728.3040 296.8525 -183719.3818 -149631.4404 297.2907 78.2582 104.2143 556651.6305 14.2750 14.5279 PRESSURE: 4860200 -109.992 55.0997 -95.7267 55.0989 -180.529 -51.9947 -95.728 -51.994 -226.083 GPRESSURE: 4860200 -85.0479 -29.0455 -89.2002 101.302 -123.648 -119.724 -115.749 4.89927 -206.979 PRESSAVG: 4860200 -51.9623 -26.6948 -28.3249 -26.6949 44.7994 -35.2632 -28.3248 -35.2632 -8.1043 GPRESSAVG: 4860200 -50.7291 -26.1625 -27.724 -27.6782 46.7713 -37.9962 -28.2592 -34.6556 -10.8211 TIMING: 4860200 CPU: 14124.8, 0.00290036/step Wall: 14124.8, 0.00290036/step, 0.11263 hours remaining, 207.484375 MB of memory in use. ENERGY: 4860200 757.7980 2114.2889 1949.7125 106.5927 -205972.5495 17515.7260 0.0000 0.0000 33807.2030 -149721.2283 295.2467 -183528.4313 -149628.1001 297.6621 -172.2013 -138.5586 558030.3452 -5.0891 -4.9263 LDB: ============= START OF LOAD BALANCING ============== 14128.2 LDB: ============== END OF LOAD BALANCING =============== 14128.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14128.2 LDB: ============= START OF LOAD BALANCING ============== 14128.5 LDB: Largest compute 4848 load 0.030527 is 25.9% of average load 0.117812 LDB: Average compute 0.001733 is 1.5% of average load 0.117812 LDB: TIME 14128.5 LOAD: AVG 0.117812 MAX 0.19098 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 14128.5 LOAD: AVG 0.117812 MAX 0.19098 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 14128.5 LOAD: AVG 0.117812 MAX 0.19098 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14128.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14128.5 PRESSURE: 4860400 219.71 157.167 -214.692 157.167 54.1224 23.8917 -214.691 23.8921 -10.124 GPRESSURE: 4860400 231.257 180.037 -264.983 207.806 61.4259 -11.0854 -141.264 65.5214 50.6485 PRESSAVG: 4860400 -26.8268 4.08795 17.3985 4.0879 -56.0201 15.558 17.3984 15.5579 22.4582 GPRESSAVG: 4860400 -27.9411 3.4302 16.4214 4.30454 -57.5145 14.5278 17.3494 17.1591 24.6895 TIMING: 4860400 CPU: 14125.4, 0.00294259/step Wall: 14125.4, 0.00294259/step, 0.114107 hours remaining, 208.898438 MB of memory in use. ENERGY: 4860400 710.0815 2099.7561 1933.2279 110.3790 -206457.0542 17774.8208 0.0000 0.0000 34083.5737 -149745.2151 297.6603 -183828.7888 -149648.9192 297.3227 87.9028 114.4438 557188.3300 -20.1295 -20.2554 PRESSURE: 4860600 58.9783 -26.3438 -39.4513 -26.3438 -75.304 48.8917 -39.4506 48.8909 -61.1224 GPRESSURE: 4860600 52.9424 -16.7535 -51.4242 6.48154 -47.6841 65.0912 -69.8003 -34.4585 15.9653 PRESSAVG: 4860600 -2.30091 15.8025 3.22371 15.8025 -1.77173 6.76978 3.22387 6.76985 4.9062 GPRESSAVG: 4860600 -3.78543 16.4865 4.32938 16.8318 -1.3931 10.274 2.75436 2.60162 5.35441 TIMING: 4860600 CPU: 14125.9, 0.00291114/step Wall: 14125.9, 0.00291114/step, 0.112726 hours remaining, 209.140625 MB of memory in use. ENERGY: 4860600 742.6706 2071.3628 1936.7514 109.9316 -206842.7504 18003.3142 0.0000 0.0000 34354.1856 -149624.5342 300.0236 -183978.7198 -149527.7049 297.3763 -25.8160 7.0745 557407.8809 0.2779 0.0586 PRESSURE: 4860800 251.531 -15.7688 1.89105 -15.7676 -31.6532 -36.7046 1.89086 -36.703 -162.523 GPRESSURE: 4860800 298.756 7.45488 54.3409 -27.6966 43.4344 17.2013 65.8533 -105.046 -179.537 PRESSAVG: 4860800 13.6374 15.243 -66.8517 15.2429 -22.3492 -1.6933 -66.8517 -1.69337 -24.661 GPRESSAVG: 4860800 15.1176 14.8704 -68.7312 14.8315 -22.4173 -3.58842 -64.9888 -1.23169 -26.0643 TIMING: 4860800 CPU: 14126.5, 0.00293636/step Wall: 14126.5, 0.00293636/step, 0.113539 hours remaining, 209.140625 MB of memory in use. ENERGY: 4860800 726.2282 2062.5765 1945.9586 113.1988 -206605.3782 18061.4442 0.0000 0.0000 34227.6767 -149468.2952 298.9188 -183695.9719 -149371.5733 298.3473 19.1182 54.2179 558686.7019 -11.1243 -11.1213 PRESSURE: 4861000 -146.518 -122.598 10.8329 -122.599 -48.5711 32.0588 10.834 32.0596 -188.223 GPRESSURE: 4861000 -89.4581 -78.5746 -63.2106 -177.35 -59.5758 31.7397 102.746 61.4143 -146.95 PRESSAVG: 4861000 13.4432 36.1669 23.1578 36.1668 -37.577 56.1271 23.1578 56.127 -3.09022 GPRESSAVG: 4861000 13.4434 37.595 23.5168 34.4202 -37.6156 55.5651 21.9924 59.8638 -2.00589 TIMING: 4861000 CPU: 14127.1, 0.00290529/step Wall: 14127.1, 0.00290529/step, 0.112177 hours remaining, 209.140625 MB of memory in use. ENERGY: 4861000 731.6628 2050.0996 1976.4581 115.2138 -206088.5401 17685.0213 0.0000 0.0000 34256.3675 -149273.7170 299.1694 -183530.0845 -149173.9512 298.6464 -127.7709 -98.6615 559802.4913 -9.0747 -8.7260 PRESSURE: 4861200 -150.291 178.026 6.96486 178.027 -39.044 48.7918 6.96438 48.7927 -207.125 GPRESSURE: 4861200 -104.987 77.9625 -48.6247 213.018 -29.5246 1.37741 -12.9444 68.7606 -182.379 PRESSAVG: 4861200 46.9379 33.3208 -15.6972 33.3207 -8.43987 -10.9044 -15.6972 -10.9042 1.80027 GPRESSAVG: 4861200 48.7721 30.3976 -16.187 35.3327 -9.16142 -10.3661 -17.5531 -12.877 0.69793 TIMING: 4861200 CPU: 14127.7, 0.00291624/step Wall: 14127.7, 0.00291624/step, 0.112437 hours remaining, 209.140625 MB of memory in use. ENERGY: 4861200 760.2646 2105.0188 1944.7344 103.0166 -206555.6914 17917.3324 0.0000 0.0000 34439.6423 -149285.6823 300.7700 -183725.3246 -149196.3900 299.4151 -132.1533 -105.6300 559406.0556 13.4327 13.4362 PRESSURE: 4861400 24.1965 -96.0288 -47.9166 -96.0298 -192.914 112.699 -47.9161 112.699 -108.607 GPRESSURE: 4861400 34.6616 -75.2584 6.88314 -2.25317 -151.342 223.791 -146.278 49.6846 -61.8511 PRESSAVG: 4861400 -29.5002 -23.5713 -11.9969 -23.5712 -14.1863 30.8565 -11.9969 30.8565 41.423 GPRESSAVG: 4861400 -31.4243 -22.2039 -10.8802 -24.3438 -12.7038 30.7076 -11.8731 30.1604 41.8221 TIMING: 4861400 CPU: 14128.3, 0.00291044/step Wall: 14128.3, 0.00291044/step, 0.112052 hours remaining, 209.140625 MB of memory in use. ENERGY: 4861400 754.1812 2135.0901 1951.2398 118.3811 -206125.7190 17695.9846 0.0000 0.0000 34151.1723 -149319.6699 298.2507 -183470.8423 -149223.2423 299.7643 -92.4413 -59.5106 557947.7767 -0.7545 -0.7687 PRESSURE: 4861600 35.0473 18.2035 -153.929 18.2024 -172.368 -217.826 -153.929 -217.826 30.1685 GPRESSURE: 4861600 52.5954 80.0049 -169.835 -76.8711 -165.37 -194.721 -165.186 -231.017 101.2 PRESSAVG: 4861600 -35.6021 -90.113 20.8735 -90.113 -29.5231 -6.29009 20.8736 -6.29021 34.803 GPRESSAVG: 4861600 -34.6987 -88.9389 20.2131 -92.3362 -30.1592 -6.25998 21.4511 -6.46788 34.7108 TIMING: 4861600 CPU: 14128.9, 0.00291281/step Wall: 14128.9, 0.00291281/step, 0.111982 hours remaining, 209.140625 MB of memory in use. ENERGY: 4861600 752.2150 2094.6551 1946.3543 123.4143 -205899.0159 17509.8581 0.0000 0.0000 34199.7694 -149272.7497 298.6751 -183472.5191 -149176.6810 299.7645 -35.7174 -3.8581 556298.6176 -10.1074 -10.0490 PRESSURE: 4861800 181.395 -99.3299 -78.7364 -99.3309 86.9447 -13.7742 -78.735 -13.7737 -228.585 GPRESSURE: 4861800 187.106 -146.328 17.8133 -15.5027 104.194 -25.4213 -42.0993 -17.6638 -150.55 PRESSAVG: 4861800 32.4814 -71.6462 31.5015 -71.6463 -55.6766 12.0321 31.5015 12.0322 22.7917 GPRESSAVG: 4861800 31.7926 -71.6087 30.6796 -69.9765 -55.4946 12.3328 32.126 11.4488 22.6998 TIMING: 4861800 CPU: 14129.4, 0.0029321/step Wall: 14129.4, 0.0029321/step, 0.11256 hours remaining, 209.140625 MB of memory in use. ENERGY: 4861800 758.4284 2102.3400 1969.1096 118.7002 -206569.4228 17893.0128 0.0000 0.0000 34279.0258 -149448.8061 299.3673 -183727.8318 -149356.6143 298.6156 13.2516 46.9167 557164.1181 -0.1345 -0.3341 PRESSURE: 4862000 -70.8034 -211.175 33.7084 -211.174 -39.8993 18.1748 33.7076 18.175 436.891 GPRESSURE: 4862000 -103.608 -199.052 14.396 -335.982 52.2785 -7.7131 127.636 4.81969 489.223 PRESSAVG: 4862000 17.6854 -40.0586 47.8033 -40.0585 17.2891 22.7447 47.8034 22.7449 -20.6055 GPRESSAVG: 4862000 17.4183 -40.1421 48.7117 -40.5017 16.346 23.1491 49.3298 24.86 -19.62 TIMING: 4862000 CPU: 14130, 0.00295084/step Wall: 14130, 0.00295084/step, 0.113115 hours remaining, 209.140625 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: 4862000 768.4874 2014.4803 1959.8766 105.0852 -206566.9727 18046.9540 0.0000 0.0000 34102.4013 -149569.6878 297.8248 -183672.0891 -149472.6270 299.0924 108.7296 145.9642 556132.0218 4.7897 4.7147 PRESSURE: 4862200 17.3633 -89.2918 -182.404 -89.2918 -158.976 -66.6453 -182.404 -66.6435 171.792 GPRESSURE: 4862200 32.4894 -56.7187 -123.902 -13.1528 -84.8437 2.6755 -202.364 -136.756 175.757 PRESSAVG: 4862200 -33.2925 -16.0051 -27.8614 -16.0052 -8.74492 -13.0324 -27.8614 -13.0324 32.0429 GPRESSAVG: 4862200 -32.9073 -16.5099 -28.6062 -15.238 -7.11992 -13.9125 -28.5058 -11.791 29.9295 TIMING: 4862200 CPU: 14130.6, 0.00292161/step Wall: 14130.6, 0.00292161/step, 0.111833 hours remaining, 209.140625 MB of memory in use. ENERGY: 4862200 747.0011 2085.5182 1958.6035 105.3125 -206487.2836 18083.4422 0.0000 0.0000 34068.6581 -149438.7480 297.5301 -183507.4061 -149352.2328 298.6804 10.0600 41.1343 557036.1732 -3.3315 -3.3659 PRESSURE: 4862400 -53.5069 16.8747 -9.4097 16.8753 114.921 20.5728 -9.41033 20.5739 -14.5565 GPRESSURE: 4862400 -70.2048 8.99184 27.6651 69.0535 163.585 -44.4891 0.498025 46.3465 39.2023 PRESSAVG: 4862400 -59.8239 13.5432 -44.4538 13.5432 23.784 14.6085 -44.4538 14.6085 52.4169 GPRESSAVG: 4862400 -60.1276 15.2779 -43.0436 13.7021 23.6373 15.133 -46.7959 12.0799 53.145 TIMING: 4862400 CPU: 14131.2, 0.00292323/step Wall: 14131.2, 0.00292323/step, 0.111732 hours remaining, 209.335938 MB of memory in use. ENERGY: 4862400 777.6352 2101.5080 1976.3653 118.5176 -206589.9472 18005.7727 0.0000 0.0000 34121.0066 -149489.1418 297.9872 -183610.1484 -149399.6668 298.9668 15.6192 44.1940 557461.2519 5.4590 5.5515 PRESSURE: 4862600 225.936 74.4486 -51.7279 74.4488 467.444 -39.1216 -51.7278 -39.1211 -78.0007 GPRESSURE: 4862600 226.894 70.2828 -85.9088 61.5257 478.869 16.6966 -34.2777 -71.4407 8.31325 PRESSAVG: 4862600 -32.0022 -24.2896 -28.6783 -24.2896 29.053 47.308 -28.6783 47.308 16.2239 GPRESSAVG: 4862600 -31.2574 -25.3974 -32.3889 -25.4861 28.952 47.1988 -26.6544 48.9686 15.6652 TIMING: 4862600 CPU: 14131.8, 0.00291005/step Wall: 14131.8, 0.00291005/step, 0.111067 hours remaining, 209.335938 MB of memory in use. ENERGY: 4862600 728.7112 2045.9918 1945.4195 124.9277 -206728.1207 18079.4954 0.0000 0.0000 34217.5960 -149585.9790 298.8308 -183803.5750 -149493.0416 298.3588 205.1264 238.0254 556656.3930 4.4249 4.4533 PRESSURE: 4862800 -85.5124 102.771 -106.646 102.772 101.116 -57.328 -106.645 -57.3278 -94.7767 GPRESSURE: 4862800 -33.5112 146.664 -131.329 40.1952 138.931 -137.17 -113.699 -90.9629 -90.3164 PRESSAVG: 4862800 -26.6659 12.7249 -83.6796 12.7249 52.6465 61.7202 -83.6796 61.7201 -31.0987 GPRESSAVG: 4862800 -27.0643 12.7447 -81.0875 12.8832 51.6957 60.1239 -85.9096 62.1877 -29.7081 TIMING: 4862800 CPU: 14132.4, 0.00290571/step Wall: 14132.4, 0.00290571/step, 0.11074 hours remaining, 209.335938 MB of memory in use. ENERGY: 4862800 765.9914 2011.2062 1930.0679 110.7718 -206090.0601 17648.0628 0.0000 0.0000 34081.7124 -149542.2476 297.6441 -183623.9600 -149446.2098 297.8055 -26.3911 5.0343 556903.3005 -1.7060 -1.6922 PRESSURE: 4863000 -34.0548 106.662 -71.3353 106.662 -254.782 34.9753 -71.3356 34.9776 -55.0717 GPRESSURE: 4863000 6.04409 40.3476 -56.1527 67.3545 -214.237 80.8667 -87.5721 -52.1525 -29.1436 PRESSAVG: 4863000 18.2309 129.845 -71.7948 129.845 28.4908 14.5411 -71.7948 14.541 -56.2009 GPRESSAVG: 4863000 18.7093 128.622 -71.5723 131.37 28.1419 15.1789 -72.2205 12.4513 -56.479 TIMING: 4863000 CPU: 14132.9, 0.00289209/step Wall: 14132.9, 0.00289209/step, 0.11006 hours remaining, 209.335938 MB of memory in use. ENERGY: 4863000 761.7620 2096.8345 1938.7377 109.2919 -206167.8096 17601.7897 0.0000 0.0000 34239.6697 -149419.7241 299.0236 -183659.3938 -149322.5383 297.9498 -114.6361 -79.1120 557968.7152 -3.1598 -3.2093 PRESSURE: 4863200 34.4717 137.649 8.29218 137.649 -165.037 -42.4598 8.29262 -42.4614 125.093 GPRESSURE: 4863200 10.8841 72.4101 41.6405 115.61 -141.754 36.9174 27.2975 -22.1125 224.868 PRESSAVG: 4863200 26.6189 13.5359 55.4936 13.536 -7.7724 4.24611 55.4937 4.24611 -71.7212 GPRESSAVG: 4863200 26.3789 13.2734 56.517 12.9897 -8.09407 5.15094 55.9137 5.31175 -71.3023 TIMING: 4863200 CPU: 14133.5, 0.00289136/step Wall: 14133.5, 0.00289136/step, 0.109872 hours remaining, 209.335938 MB of memory in use. ENERGY: 4863200 760.9374 2097.0011 1956.4442 118.4333 -206585.1816 17976.1266 0.0000 0.0000 34307.5305 -149368.7086 299.6162 -183676.2391 -149263.7300 298.5395 -1.8242 31.3328 558222.7451 -17.6249 -17.6725 PRESSURE: 4863400 -119.715 -58.3653 -56.1203 -58.3643 -99.6304 -1.95066 -56.1199 -1.9493 -18.6619 GPRESSURE: 4863400 -112.045 3.38169 -131.67 -78.5885 1.4803 46.4761 45.8464 48.0946 -39.6853 PRESSAVG: 4863400 -10.3766 25.8628 32.8865 25.8627 54.0558 86.8629 32.8865 86.8629 18.7619 GPRESSAVG: 4863400 -11.6608 25.4511 31.7551 26.1541 55.0986 86.3461 34.4178 86.6705 19.1211 TIMING: 4863400 CPU: 14134.1, 0.00288804/step Wall: 14134.1, 0.00288804/step, 0.109585 hours remaining, 209.335938 MB of memory in use. ENERGY: 4863400 715.3582 2084.1579 1956.5385 118.6078 -206576.2595 17898.9007 0.0000 0.0000 34272.0875 -149530.6089 299.3067 -183802.6965 -149434.7824 299.3612 -79.3359 -50.0833 556781.6978 20.8137 20.8530 PRESSURE: 4863600 21.9163 22.0118 -35.3953 22.012 38.5109 -171.64 -35.3931 -171.638 216.625 GPRESSURE: 4863600 21.6735 -6.04042 3.51833 45.6878 121.485 -124.783 -62.0414 -177.392 226.152 PRESSAVG: 4863600 -13.5204 -16.5315 -7.77543 -16.5315 36.4416 -3.56162 -7.77542 -3.56163 15.1173 GPRESSAVG: 4863600 -11.9413 -14.9451 -6.21744 -18.3999 36.3767 -2.99204 -8.45534 -2.76294 13.6282 TIMING: 4863600 CPU: 14134.7, 0.00288384/step Wall: 14134.7, 0.00288384/step, 0.109266 hours remaining, 209.335938 MB of memory in use. ENERGY: 4863600 726.7011 2062.7224 1938.6932 110.0159 -206454.1029 17968.0182 0.0000 0.0000 34291.3664 -149356.5858 299.4750 -183647.9522 -149264.6436 298.8162 92.3508 123.1035 556132.6797 12.6795 12.6879 PRESSURE: 4863800 -298.387 34.316 -17.5623 34.3169 -212.266 14.1987 -17.5627 14.1967 -234.753 GPRESSURE: 4863800 -295.017 53.8343 -21.5438 -43.2824 -192.097 7.13508 -12.8457 31.4337 -164.991 PRESSAVG: 4863800 -25.6621 -31.0915 -11.7587 -31.0917 -15.4523 -15.7905 -11.7586 -15.7904 23.2517 GPRESSAVG: 4863800 -26.3542 -33.1377 -13.672 -28.8365 -16.1234 -15.0353 -11.8561 -17.0155 25.3105 TIMING: 4863800 CPU: 14135.3, 0.00289792/step Wall: 14135.3, 0.00289791/step, 0.109638 hours remaining, 209.335938 MB of memory in use. ENERGY: 4863800 770.5717 2127.2282 1964.0764 96.6797 -205925.5047 17597.1371 0.0000 0.0000 34134.2762 -149235.5353 298.1031 -183369.8115 -149133.8630 298.6653 -248.4687 -217.3682 559463.4140 -5.9542 -5.7224 PRESSURE: 4864000 -175.649 47.9909 18.8087 47.9912 34.4204 91.8161 18.8094 91.8168 -466.875 GPRESSURE: 4864000 -152.841 37.0632 38.2087 30.01 54.6193 99.9953 24.2078 137.76 -416.384 PRESSAVG: 4864000 -28.6341 -26.0959 35.5949 -26.096 4.30627 -6.08215 35.5951 -6.08217 -1.85438 GPRESSAVG: 4864000 -27.7218 -24.6622 34.8345 -26.6279 5.07298 -5.52276 35.8296 -5.5406 -3.06515 TIMING: 4864000 CPU: 14135.8, 0.00288899/step Wall: 14135.8, 0.00288899/step, 0.10914 hours remaining, 209.335938 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: 4864000 767.9180 2140.0552 1957.5801 101.6244 -206319.7529 17886.6975 0.0000 0.0000 34196.3969 -149269.4809 298.6456 -183465.8777 -149179.8162 298.4982 -202.7011 -171.5350 559088.4242 -8.7274 -8.5713 PRESSURE: 4864200 269.928 46.9526 29.4914 46.9517 -105.504 -118.957 29.4924 -118.956 -180.754 GPRESSURE: 4864200 246.085 49.8635 67.7083 55.0162 -51.1461 -91.5858 35.5872 -86.9395 -118.163 PRESSAVG: 4864200 59.5056 5.80158 34.3892 5.80159 31.3451 55.1005 34.3891 55.1007 -83.8656 GPRESSAVG: 4864200 59.2728 5.61119 35.0098 5.20242 32.1094 53.3867 35.5791 53.9684 -83.9823 TIMING: 4864200 CPU: 14136.4, 0.00288874/step Wall: 14136.4, 0.00288874/step, 0.10897 hours remaining, 209.335938 MB of memory in use. ENERGY: 4864200 770.1301 2106.3544 1977.7026 124.5587 -206383.0608 17881.2707 0.0000 0.0000 34229.3095 -149293.7347 298.9331 -183523.0443 -149198.3439 299.2232 -5.4434 25.5921 556219.9884 2.3284 2.4666 LDB: ============= START OF LOAD BALANCING ============== 14139.9 LDB: ============== END OF LOAD BALANCING =============== 14139.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14139.9 LDB: ============= START OF LOAD BALANCING ============== 14140.2 LDB: Largest compute 4848 load 0.030705 is 26.1% of average load 0.117828 LDB: Average compute 0.001740 is 1.5% of average load 0.117828 LDB: TIME 14140.2 LOAD: AVG 0.117828 MAX 0.19078 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.383 MB LDB: TIME 14140.2 LOAD: AVG 0.117828 MAX 0.19078 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: TIME 14140.2 LOAD: AVG 0.117828 MAX 0.19078 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14140.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14140.2 PRESSURE: 4864400 -348.214 -108.684 -3.23904 -108.683 -93.8512 -38.8146 -3.23893 -38.8157 -112.052 GPRESSURE: 4864400 -301.358 -174.159 -12.5867 -120.686 -107.776 -100.176 -4.78939 47.6882 -39.0757 PRESSAVG: 4864400 40.2562 -36.0962 18.2023 -36.0963 31.7049 27.1754 18.2023 27.1754 -56.3822 GPRESSAVG: 4864400 40.0582 -37.118 18.1233 -33.9441 30.2775 28.4422 18.6469 27.7979 -54.8738 TIMING: 4864400 CPU: 14137, 0.00296029/step Wall: 14137, 0.00296029/step, 0.111504 hours remaining, 207.097656 MB of memory in use. ENERGY: 4864400 798.5460 2121.4211 1975.3830 115.4872 -206014.0402 17508.2715 0.0000 0.0000 34355.8659 -149139.0655 300.0383 -183494.9314 -149047.6167 298.8920 -184.7054 -149.4032 557022.4188 5.1930 5.1540 PRESSURE: 4864600 -172.08 -113.593 -32.6407 -113.593 66.368 0.532609 -32.6405 0.532168 -120.636 GPRESSURE: 4864600 -139.164 -114.191 52.5973 -88.1753 104.207 -5.98586 7.34227 27.5342 -95.9409 PRESSAVG: 4864600 18.4652 -54.9859 -4.59342 -54.9859 76.2932 9.33075 -4.59349 9.33068 -67.6356 GPRESSAVG: 4864600 18.5189 -52.9135 -3.68732 -55.5769 76.3085 9.73248 -6.12155 8.66694 -67.9692 TIMING: 4864600 CPU: 14137.6, 0.00289564/step Wall: 14137.6, 0.00289564/step, 0.108908 hours remaining, 207.597656 MB of memory in use. ENERGY: 4864600 772.4963 2112.4490 1982.9148 112.0333 -206201.6427 17880.0396 0.0000 0.0000 34171.0554 -149170.6542 298.4243 -183341.7096 -149075.0979 299.5154 -75.4495 -43.6324 558117.8104 9.0409 8.9527 PRESSURE: 4864800 159.782 -38.198 -45.5634 -38.1971 273.061 217.837 -45.5636 217.835 126.882 GPRESSURE: 4864800 180.944 9.02135 -84.0232 -53.4781 288.957 187.294 -22.6166 248.551 178.514 PRESSAVG: 4864800 -33.0861 -24.5776 8.08639 -24.5776 49.4598 29.1764 8.08642 29.1765 9.29351 GPRESSAVG: 4864800 -33.3424 -24.2962 8.2581 -25.2003 49.6443 30.787 8.15106 28.922 9.065 TIMING: 4864800 CPU: 14138.2, 0.0029095/step Wall: 14138.2, 0.0029095/step, 0.109268 hours remaining, 207.597656 MB of memory in use. ENERGY: 4864800 742.9817 2103.4573 1950.2830 114.3443 -206417.2710 18174.0455 0.0000 0.0000 34180.6279 -149151.5311 298.5079 -183332.1591 -149061.9302 299.8168 186.5752 216.1385 558751.6532 8.5558 8.4556 PRESSURE: 4865000 -43.8201 139.9 5.75164 139.899 -48.6588 -122.358 5.7503 -122.356 96.3609 GPRESSURE: 4865000 19.5452 135.974 23.8252 67.9541 -14.1528 -128.313 -24.2814 -38.614 88.9248 PRESSAVG: 4865000 37.4676 -21.705 30.7036 -21.7051 -20.3263 22.1512 30.7036 22.1512 -80.4632 GPRESSAVG: 4865000 39.1218 -21.7948 30.8553 -22.5949 -20.3405 19.5216 30.479 24.911 -82.0572 TIMING: 4865000 CPU: 14138.7, 0.00290349/step Wall: 14138.7, 0.00290349/step, 0.108881 hours remaining, 207.667969 MB of memory in use. ENERGY: 4865000 769.8086 2111.0533 1985.0980 105.8988 -206169.1612 17934.9447 0.0000 0.0000 34131.6122 -149130.7456 298.0799 -183262.3578 -149034.0761 299.2796 1.2940 31.4390 559027.1452 -21.1073 -21.0920 PRESSURE: 4865200 20.9893 217.664 -48.3241 217.664 -20.0983 -74.1091 -48.324 -74.1086 -17.5664 GPRESSURE: 4865200 77.6779 124.888 4.18066 250.845 -44.1525 -128.559 -51.6885 -74.2591 35.5346 PRESSAVG: 4865200 -50.7636 -25.1008 -17.4627 -25.1008 47.9617 -2.20084 -17.4626 -2.20078 4.75043 GPRESSAVG: 4865200 -52.6843 -25.589 -16.389 -23.4237 48.7167 -2.32202 -17.0667 -3.62739 6.54993 TIMING: 4865200 CPU: 14139.3, 0.00291052/step Wall: 14139.3, 0.00291052/step, 0.108983 hours remaining, 207.667969 MB of memory in use. ENERGY: 4865200 730.2769 2137.9007 1965.4586 97.9372 -205683.1606 17672.6572 0.0000 0.0000 34087.4505 -148991.4796 297.6942 -183078.9301 -148902.0191 299.4532 -5.5585 23.0200 558836.3176 0.6495 0.8608 PRESSURE: 4865400 1.90426 185.748 95.8598 185.748 -100.163 141.826 95.8611 141.827 -74.0525 GPRESSURE: 4865400 24.455 151.154 119.725 236.277 -103.286 142.746 87.8751 94.2334 -2.25268 PRESSAVG: 4865400 -63.6152 25.5217 -47.241 25.5217 104.392 -15.8454 -47.2411 -15.8454 -51.5669 GPRESSAVG: 4865400 -63.2489 25.7716 -48.2684 25.2508 103.34 -14.8357 -47.5402 -16.9751 -50.6924 TIMING: 4865400 CPU: 14139.9, 0.00288701/step Wall: 14139.9, 0.00288701/step, 0.107942 hours remaining, 207.667969 MB of memory in use. ENERGY: 4865400 728.6461 2105.9391 1981.4643 111.4574 -206159.1567 17776.5864 0.0000 0.0000 34437.7411 -149017.3223 300.7534 -183455.0634 -148918.0188 299.6149 -57.4370 -27.0280 559165.2267 -3.5967 -3.5339 PRESSURE: 4865600 -24.257 -225.831 -68.2257 -225.83 -47.7078 70.1006 -68.2254 70.0991 103.331 GPRESSURE: 4865600 -21.9665 -154.062 -42.4375 -194.378 15.8417 51.8566 -37.2463 197.153 116.179 PRESSAVG: 4865600 36.136 13.8204 -19.8524 13.8205 -8.58004 55.4498 -19.8525 55.4498 -16.0834 GPRESSAVG: 4865600 36.305 13.6514 -20.999 15.1352 -7.6575 56.2109 -18.9744 56.6134 -17.2226 TIMING: 4865600 CPU: 14140.5, 0.0028877/step Wall: 14140.5, 0.00288771/step, 0.107808 hours remaining, 207.667969 MB of memory in use. ENERGY: 4865600 736.0438 2160.8589 1967.0433 119.7964 -206182.7052 17838.0323 0.0000 0.0000 34428.2225 -148932.7080 300.6702 -183360.9305 -148840.1473 300.2822 10.4554 36.6847 557606.6141 3.8242 3.8083 PRESSURE: 4865800 41.8716 -51.127 190.196 -51.1265 106.252 -109.568 190.196 -109.568 -54.8147 GPRESSURE: 4865800 81.0152 -38.6201 221.981 -69.2747 168.841 -185.866 199.94 -59.4397 -53.193 PRESSAVG: 4865800 31.6504 -20.6969 36.4953 -20.697 33.489 2.86018 36.4952 2.86007 1.84592 GPRESSAVG: 4865800 33.0529 -18.2483 35.3105 -24.9289 32.3973 4.24904 35.5871 2.58044 1.19212 TIMING: 4865800 CPU: 14141.1, 0.00288476/step Wall: 14141.1, 0.00288476/step, 0.107537 hours remaining, 207.667969 MB of memory in use. ENERGY: 4865800 746.8804 2060.6048 1979.7746 120.8020 -206037.5670 17817.6464 0.0000 0.0000 34293.2605 -149018.5982 299.4916 -183311.8587 -148920.8370 300.0525 31.1031 65.5543 557746.5246 22.3284 22.2141 PRESSURE: 4866000 168.992 -35.0743 -25.2767 -35.0736 -0.774401 -26.4001 -25.2769 -26.401 -34.1456 GPRESSURE: 4866000 143.678 -3.29721 -21.0262 -38.0773 81.633 -0.159863 -40.3347 -17.0929 -5.96001 PRESSAVG: 4866000 65.7887 -0.0982007 23.8998 -0.0982808 -15.9781 29.4257 23.8998 29.4258 -58.1644 GPRESSAVG: 4866000 64.7794 -1.86659 22.7513 2.76513 -14.7437 25.8775 25.114 29.8438 -57.5799 TIMING: 4866000 CPU: 14141.6, 0.00290019/step Wall: 14141.6, 0.00290019/step, 0.107952 hours remaining, 207.667969 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: 4866000 757.6886 2108.1039 1979.5457 108.2916 -206242.7108 17932.0640 0.0000 0.0000 34384.4658 -148972.5512 300.2881 -183357.0169 -148880.6612 300.1716 44.6905 73.1169 556353.1913 -2.7846 -2.5147 PRESSURE: 4866200 153.521 34.0148 -132.741 34.0136 157.667 26.2127 -132.741 26.2133 216.125 GPRESSURE: 4866200 229.339 42.187 9.26893 -103.554 186.181 103.224 -159.172 47.0577 214.338 PRESSAVG: 4866200 47.6693 -41.5579 11.1993 -41.5579 9.40313 21.1994 11.1993 21.1995 -48.6092 GPRESSAVG: 4866200 48.526 -43.0519 15.0444 -42.7815 9.26442 23.8282 9.85243 21.122 -48.6914 TIMING: 4866200 CPU: 14142.2, 0.00291228/step Wall: 14142.2, 0.00291228/step, 0.10824 hours remaining, 207.667969 MB of memory in use. ENERGY: 4866200 720.9917 2101.4761 1975.2776 109.4885 -206822.9512 18121.3589 0.0000 0.0000 34699.0308 -149095.3276 303.0353 -183794.3585 -148994.5650 300.2781 175.7708 209.9528 556049.4947 2.8211 3.0330 PRESSURE: 4866400 118.702 96.8403 54.034 96.8397 67.1351 -17.7457 54.0355 -17.7459 191.849 GPRESSURE: 4866400 133.824 114.661 14.5652 119.388 131.062 -82.5549 48.0213 -0.895054 207.498 PRESSAVG: 4866400 35.8216 -25.1905 15.6355 -25.1906 47.9973 20.469 15.6355 20.469 -68.0496 GPRESSAVG: 4866400 35.2606 -25.6311 15.3633 -24.965 48.55 22.6172 16.1577 19.2119 -67.9993 TIMING: 4866400 CPU: 14142.8, 0.00289636/step Wall: 14142.8, 0.00289636/step, 0.107487 hours remaining, 207.871094 MB of memory in use. ENERGY: 4866400 736.6150 2090.3256 1968.2168 104.8462 -206093.7375 17839.5755 0.0000 0.0000 34318.1519 -149036.0066 299.7090 -183354.1584 -148937.4616 299.7844 125.8954 157.4613 556885.5444 5.2564 5.2704 PRESSURE: 4866600 18.3038 -62.2911 85.1406 -62.2902 -108.903 46.0353 85.1399 46.0365 -103.61 GPRESSURE: 4866600 124.455 -75.9891 48.9385 -48.1918 -138.471 49.9679 126.29 -9.66758 -74.5594 PRESSAVG: 4866600 33.7902 -20.8967 42.3346 -20.8967 -37.1713 -7.08361 42.3345 -7.0836 19.1808 GPRESSAVG: 4866600 34.1977 -20.295 41.9224 -20.5418 -37.1568 -11.067 41.2089 -5.00274 18.5137 TIMING: 4866600 CPU: 14143.4, 0.00286728/step Wall: 14143.4, 0.00286728/step, 0.106249 hours remaining, 207.871094 MB of memory in use. ENERGY: 4866600 752.0945 2091.6663 1955.9643 97.4940 -205820.8842 17585.7850 0.0000 0.0000 34325.3438 -149012.5363 299.7718 -183337.8802 -148911.2844 300.0135 -64.7366 -29.5249 557604.7234 5.2666 5.1849 PRESSURE: 4866800 202.77 -134.905 61.657 -134.903 271.323 0.402707 61.658 0.404057 -234.377 GPRESSURE: 4866800 306.335 -252.521 77.4635 -65.1133 241.232 -68.9177 82.2963 54.4675 -213.143 PRESSAVG: 4866800 -0.310891 7.64007 8.1848 7.64001 -12.914 -7.40902 8.1849 -7.409 5.71936 GPRESSAVG: 4866800 0.148559 8.66286 8.87461 7.61722 -13.2328 -5.78064 7.95401 -9.24104 5.58754 TIMING: 4866800 CPU: 14144, 0.0028835/step Wall: 14144, 0.0028835/step, 0.10669 hours remaining, 207.871094 MB of memory in use. ENERGY: 4866800 793.3135 2098.1907 1978.7303 123.7166 -206252.5603 17877.8474 0.0000 0.0000 34171.8225 -149208.9394 298.4310 -183380.7619 -149109.1496 299.5495 79.9054 111.4749 556520.2786 -2.5018 -2.4989 PRESSURE: 4867000 -27.8111 -137.982 -9.11842 -137.981 -54.3957 46.5155 -9.11828 46.5145 -177.26 GPRESSURE: 4867000 31.7752 -119.907 6.48019 -118.084 -69.7778 1.21913 -45.4461 90.6326 -124.807 PRESSAVG: 4867000 82.7554 -88.104 -10.7221 -88.1041 -102.768 -24.5585 -10.7221 -24.5585 -4.60326 GPRESSAVG: 4867000 83.2109 -88.1685 -10.7618 -88.6462 -102.102 -24.0732 -10.9735 -24.9378 -4.99919 TIMING: 4867000 CPU: 14144.5, 0.00288116/step Wall: 14144.5, 0.00288116/step, 0.106443 hours remaining, 207.871094 MB of memory in use. ENERGY: 4867000 763.0073 2151.8595 1966.2563 111.3572 -205751.3373 17634.0882 0.0000 0.0000 33889.5296 -149235.2393 295.9657 -183124.7688 -149132.7380 298.3739 -86.4888 -54.2700 557264.2517 -8.2053 -7.9635 PRESSURE: 4867200 18.4163 -39.9297 -186.996 -39.9297 45.1598 -50.57 -186.995 -50.5688 89.97 GPRESSURE: 4867200 18.9373 -35.0544 -105.044 -176.339 86.395 -56.6288 -169.745 -71.3124 150.851 PRESSAVG: 4867200 42.2311 -11.3207 -36.7096 -11.3208 -24.9772 -17.7033 -36.7096 -17.7034 -44.562 GPRESSAVG: 4867200 41.6598 -12.4457 -38.8693 -10.1433 -25.1028 -18.4885 -35.1779 -16.7132 -43.7593 TIMING: 4867200 CPU: 14145.1, 0.00288257/step Wall: 14145.1, 0.00288257/step, 0.106335 hours remaining, 207.871094 MB of memory in use. ENERGY: 4867200 754.4492 2080.5577 1992.3654 113.1992 -206376.4587 17890.6739 0.0000 0.0000 34372.2459 -149172.9675 300.1814 -183545.2134 -149072.9160 299.6198 51.1820 85.3943 557390.5568 -9.1027 -9.0675 PRESSURE: 4867400 -353.011 -58.7056 2.13351 -58.7053 47.1633 -33.8824 2.13409 -33.8845 9.64491 GPRESSURE: 4867400 -255.306 -49.9746 1.11376 -110.164 77.0289 -17.7282 -45.2398 -61.3709 -37.6973 PRESSAVG: 4867400 -6.34896 -7.63882 35.1778 -7.6388 -11.0996 68.8752 35.1779 68.8751 14.8527 GPRESSAVG: 4867400 -6.09814 -6.09114 37.472 -7.49654 -11.3556 68.5845 34.9846 69.1624 15.1448 TIMING: 4867400 CPU: 14145.7, 0.00292098/step Wall: 14145.7, 0.00292098/step, 0.107589 hours remaining, 207.871094 MB of memory in use. ENERGY: 4867400 774.8724 2115.1033 1975.4652 121.5599 -206215.8308 17802.2537 0.0000 0.0000 34171.8266 -149254.7497 298.4311 -183426.5763 -149151.0888 299.3696 -98.7343 -71.9913 557936.1863 -0.8653 -0.7696 PRESSURE: 4867600 47.3653 23.6056 33.0807 23.6058 257.989 -58.4661 33.0808 -58.4654 21.6693 GPRESSURE: 4867600 77.4052 -0.806935 90.9585 -11.0804 254.76 -45.1041 -40.834 -83.9188 93.4365 PRESSAVG: 4867600 6.42581 -2.81165 -34.913 -2.81163 75.2251 -9.53276 -34.913 -9.53265 -30.9958 GPRESSAVG: 4867600 6.73894 -3.61118 -34.1854 -3.33013 75.3982 -8.23083 -36.0914 -8.73074 -31.5887 TIMING: 4867600 CPU: 14146.3, 0.00288806/step Wall: 14146.3, 0.00288806/step, 0.106216 hours remaining, 207.871094 MB of memory in use. ENERGY: 4867600 773.9133 2085.8696 1947.2568 117.6499 -206583.8167 18114.5070 0.0000 0.0000 34286.4194 -149258.2007 299.4318 -183544.6202 -149158.0828 298.9574 109.0080 141.8671 558336.5088 16.8851 16.8495 PRESSURE: 4867800 -72.2798 213.404 154.179 213.404 -0.75597 -26.5144 154.179 -26.5141 170.901 GPRESSURE: 4867800 -7.26472 206.318 180.158 123.001 54.9417 -25.5285 158.638 -20.201 153.058 PRESSAVG: 4867800 -0.731936 16.8686 -66.0735 16.8686 -31.8475 -68.1465 -66.0735 -68.1466 23.3222 GPRESSAVG: 4867800 -0.839728 15.8918 -66.677 17.7512 -30.8892 -69.1073 -66.3041 -69.2808 22.8675 TIMING: 4867800 CPU: 14146.8, 0.00287835/step Wall: 14146.8, 0.00287835/step, 0.105699 hours remaining, 207.871094 MB of memory in use. ENERGY: 4867800 747.1608 2181.8138 1969.4342 114.7917 -206691.6090 18026.5703 0.0000 0.0000 34315.3927 -149336.4454 299.6849 -183651.8381 -149238.7798 298.6568 32.6218 66.9117 557315.8907 -3.0857 -2.9538 PRESSURE: 4868000 34.3705 109.094 140.571 109.095 -203.98 55.109 140.571 55.1084 316.273 GPRESSURE: 4868000 101.068 59.9853 163.459 149.332 -198.068 71.7556 116.195 81.9403 331.081 PRESSAVG: 4868000 -53.5263 14.612 5.88963 14.612 44.2194 20.8301 5.88956 20.8302 -21.1479 GPRESSAVG: 4868000 -53.8191 17.098 4.01645 11.9392 43.1083 20.7302 8.40701 20.7915 -20.4445 TIMING: 4868000 CPU: 14147.4, 0.00288715/step Wall: 14147.4, 0.00288715/step, 0.105862 hours remaining, 207.871094 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: 4868000 755.1136 2123.3002 1983.5357 106.7221 -206440.2566 17903.9137 0.0000 0.0000 34473.4523 -149094.2190 301.0652 -183567.6713 -148989.6765 299.6544 48.8878 78.0269 558261.7767 -10.1516 -10.3851 PRESSURE: 4868200 44.9932 -105.341 -73.3063 -105.341 -172.166 57.7349 -73.3071 57.7351 -38.0254 GPRESSURE: 4868200 77.0987 -123.077 -144.825 -68.6914 -68.0186 122.961 8.04449 88.69 -84.1758 PRESSAVG: 4868200 -13.2917 7.42459 -10.9373 7.42449 11.2287 11.5667 -10.9372 11.5668 8.95816 GPRESSAVG: 4868200 -13.1158 4.16862 -8.91842 10.3915 10.3768 10.9824 -12.8367 11.5734 9.17975 TIMING: 4868200 CPU: 14148, 0.00291579/step Wall: 14148, 0.00291579/step, 0.10675 hours remaining, 207.871094 MB of memory in use. ENERGY: 4868200 765.0369 2163.3373 1971.3508 114.9717 -206468.9967 17856.0957 0.0000 0.0000 34521.1404 -149077.0638 301.4817 -183598.2043 -148989.0597 299.5787 -55.0661 -25.0319 556407.0091 2.2984 2.1469 LDB: ============= START OF LOAD BALANCING ============== 14151.5 LDB: ============== END OF LOAD BALANCING =============== 14151.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14151.5 LDB: ============= START OF LOAD BALANCING ============== 14151.8 LDB: Largest compute 4848 load 0.032216 is 27.4% of average load 0.117787 LDB: Average compute 0.001737 is 1.5% of average load 0.117787 LDB: TIME 14151.8 LOAD: AVG 0.117787 MAX 0.193559 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 14151.8 LOAD: AVG 0.117787 MAX 0.193559 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: TIME 14151.8 LOAD: AVG 0.117787 MAX 0.193559 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.25 MB LDB: ============== END OF LOAD BALANCING =============== 14151.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14151.8 PRESSURE: 4868400 -157.941 -60.6896 -39.0267 -60.6894 -132.267 216.836 -39.0259 216.836 41.0636 GPRESSURE: 4868400 -89.8678 -8.09229 25.0193 -82.9415 -87.5359 175.66 -43.4207 178.5 33.7414 PRESSAVG: 4868400 8.57841 20.1877 21.2529 20.1877 32.3409 31.0428 21.2528 31.0428 -33.3723 GPRESSAVG: 4868400 9.36211 19.9234 20.554 20.3674 32.4416 31.4357 21.6478 32.0723 -34.7164 TIMING: 4868400 CPU: 14148.6, 0.00295813/step Wall: 14148.6, 0.00295813/step, 0.108136 hours remaining, 208.183594 MB of memory in use. ENERGY: 4868400 784.0008 2122.3293 1946.0421 116.6563 -206234.2531 17825.6702 0.0000 0.0000 34461.4703 -148978.0842 300.9606 -183439.5545 -148874.0780 300.1307 -83.0482 -47.8875 558272.7435 2.5157 2.3624 PRESSURE: 4868600 321.721 -86.5504 -103.739 -86.5517 427.693 10.5565 -103.74 10.5571 38.7388 GPRESSURE: 4868600 346.949 -204.092 -106.517 -27.3203 401.904 -25.0668 -122.244 11.4538 134.865 PRESSAVG: 4868600 -42.0474 11.5527 -29.3909 11.5528 14.4428 51.6578 -29.3909 51.6578 7.06978 GPRESSAVG: 4868600 -42.6132 13.3153 -29.271 11.767 14.0217 50.7154 -30.1519 51.4889 8.33055 TIMING: 4868600 CPU: 14149.2, 0.00291129/step Wall: 14149.2, 0.00291129/step, 0.106262 hours remaining, 208.386719 MB of memory in use. ENERGY: 4868600 742.5743 2135.3458 1962.6381 103.5900 -206355.6249 18185.3229 0.0000 0.0000 34205.2600 -149020.8939 298.7230 -183226.1539 -148924.6939 300.2338 262.7175 294.5725 556146.0116 -6.8449 -6.7537 PRESSURE: 4868800 89.1079 85.1741 41.1172 85.1741 156.586 11.7561 41.1169 11.7558 6.24102 GPRESSURE: 4868800 148.18 167.284 -4.36815 6.80714 138.082 83.2191 62.6875 65.12 69.2243 PRESSAVG: 4868800 -12.5936 -39.7276 34.068 -39.7276 10.6227 -63.2048 34.068 -63.2048 -56.6056 GPRESSAVG: 4868800 -13.0834 -40.6981 32.4174 -39.0991 10.9436 -63.187 34.8059 -62.6125 -55.8678 TIMING: 4868800 CPU: 14149.8, 0.00289898/step Wall: 14149.8, 0.00289898/step, 0.105652 hours remaining, 208.386719 MB of memory in use. ENERGY: 4868800 758.4515 2140.7519 1950.6924 126.7433 -206181.9453 17873.8959 0.0000 0.0000 34294.0186 -149037.3917 299.4982 -183331.4102 -148938.4556 299.3565 83.9782 118.4957 557730.6891 -19.5255 -19.3359 PRESSURE: 4869000 -279.249 -39.4436 95.328 -39.4428 -83.2733 -65.6216 95.3284 -65.6216 -72.1181 GPRESSURE: 4869000 -239.338 -59.5962 72.322 14.1681 -63.5024 -103.611 72.763 18.5761 -30.3 PRESSAVG: 4869000 42.7808 38.42 9.3259 38.4201 6.36501 -16.5869 9.32589 -16.587 -26.5099 GPRESSAVG: 4869000 43.4245 39.7345 10.0083 37.5449 5.8227 -17.0092 9.14069 -17.4781 -26.868 TIMING: 4869000 CPU: 14150.3, 0.00290978/step Wall: 14150.3, 0.00290978/step, 0.105884 hours remaining, 208.386719 MB of memory in use. ENERGY: 4869000 807.3630 2082.3046 1968.4385 112.0891 -205971.4299 17685.6677 0.0000 0.0000 34224.9542 -149090.6128 298.8950 -183315.5670 -149004.7958 300.0288 -144.8801 -111.0469 556987.3905 7.5453 7.4597 PRESSURE: 4869200 -107.353 -35.0718 -36.721 -35.0718 -195.754 -174.713 -36.7209 -174.713 -92.3738 GPRESSURE: 4869200 -42.2578 -109.512 -14.0124 -6.34203 -164.055 -157.286 -51.5816 -154.417 -83.8325 PRESSAVG: 4869200 28.5009 11.5274 26.1196 11.5273 23.4926 -28.5009 26.1195 -28.5009 -25.7337 GPRESSAVG: 4869200 27.9103 12.4953 27.2262 12.3033 24.7103 -28.5968 25.6854 -28.7854 -26.4499 TIMING: 4869200 CPU: 14150.9, 0.0029343/step Wall: 14150.9, 0.0029343/step, 0.106613 hours remaining, 208.386719 MB of memory in use. ENERGY: 4869200 747.4780 2093.3910 1954.1457 116.7416 -206037.1634 17665.5894 0.0000 0.0000 34352.6858 -149107.1319 300.0105 -183459.8177 -149005.9883 300.3363 -131.8270 -96.7151 558494.2194 8.7533 8.7236 PRESSURE: 4869400 121.116 2.05567 97.8926 2.05628 -89.8267 -12.2312 97.8923 -12.2308 6.46655 GPRESSURE: 4869400 190.956 -125.471 140.887 73.8066 -71.3064 35.8107 60.1231 22.7764 5.68748 PRESSAVG: 4869400 -4.65528 30.782 -14.8562 30.782 -15.2376 -0.482802 -14.8561 -0.482718 49.0482 GPRESSAVG: 4869400 -5.83872 25.1129 -15.168 30.9471 -14.4597 1.69404 -16.2562 -1.05974 49.5328 TIMING: 4869400 CPU: 14151.5, 0.00294156/step Wall: 14151.5, 0.00294156/step, 0.106713 hours remaining, 208.386719 MB of memory in use. ENERGY: 4869400 752.8289 2081.6783 1954.7173 127.8814 -206265.2953 17850.2327 0.0000 0.0000 34422.8492 -149075.1074 300.6233 -183497.9566 -148975.4190 299.0340 12.5854 41.7790 558614.5234 9.7184 9.7448 PRESSURE: 4869600 -46.3251 -28.5557 275.464 -28.5567 -186.695 88.4623 275.462 88.461 -186.967 GPRESSURE: 4869600 -28.7756 48.6602 208.101 -80.9874 -205.417 145.661 215.921 16.5697 -89.703 PRESSAVG: 4869600 39.8795 45.79 16.9273 45.79 -29 16.9286 16.9273 16.9287 -38.1421 GPRESSAVG: 4869600 42.1327 50.3604 15.0413 44.0163 -29.8926 15.0791 15.5576 17.9118 -39.3201 TIMING: 4869600 CPU: 14152.1, 0.00290475/step Wall: 14152.1, 0.00290475/step, 0.105216 hours remaining, 208.386719 MB of memory in use. ENERGY: 4869600 761.4696 2108.9706 1962.0178 117.2735 -205864.3387 17632.9612 0.0000 0.0000 34230.6764 -149050.9696 298.9450 -183281.6460 -148947.8034 299.4661 -139.9958 -107.9651 558779.0899 -9.0875 -9.0267 PRESSURE: 4869800 265.512 58.7592 -117.726 58.759 -94.8772 -20.9453 -117.725 -20.946 -268.912 GPRESSURE: 4869800 263.128 102.39 -75.5491 127.842 -19.3777 -31.1331 -100.889 -34.2794 -240.192 PRESSAVG: 4869800 29.2149 -2.02729 -0.986513 -2.0273 59.2478 2.54189 -0.986497 2.54188 -83.1446 GPRESSAVG: 4869800 27.6597 -1.91415 0.703097 -0.203005 59.702 5.33399 1.44803 1.45079 -82.5361 TIMING: 4869800 CPU: 14152.7, 0.00292625/step Wall: 14152.7, 0.00292625/step, 0.105833 hours remaining, 208.457031 MB of memory in use. ENERGY: 4869800 779.4254 2087.2475 1973.0578 122.6702 -206224.5649 17975.4660 0.0000 0.0000 34380.3027 -148906.3954 300.2517 -183286.6980 -148802.8316 300.0377 -32.7589 1.1860 558461.9289 1.7727 1.6086 PRESSURE: 4870000 87.4879 64.9407 136.292 64.9414 -125.892 -84.4623 136.293 -84.4611 52.581 GPRESSURE: 4870000 168.595 43.8741 96.6262 70.9542 -164.086 -77.2858 102.492 -82.5687 117.007 PRESSAVG: 4870000 -35.5871 51.4794 15.8279 51.4793 10.3499 11.3151 15.8278 11.3152 47.6834 GPRESSAVG: 4870000 -33.3769 50.0081 14.1753 52.772 8.42204 10.9076 15.9975 11.9324 47.1141 TIMING: 4870000 CPU: 14153.3, 0.00289799/step Wall: 14153.3, 0.00289799/step, 0.10465 hours remaining, 208.457031 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: 4870000 731.8291 2137.2718 1962.0193 95.2862 -205829.7132 17778.9098 0.0000 0.0000 34281.9524 -148842.4446 299.3928 -183124.3970 -148747.6025 300.1771 4.7256 40.5054 557961.2326 7.4821 7.3864 PRESSURE: 4870200 -6.82292 -144.094 -44.3429 -144.094 -143.173 88.0198 -44.3421 88.0195 124.457 GPRESSURE: 4870200 -11.1518 -60.5237 32.1013 -199.159 -51.6053 134.473 -125.855 -40.9107 139.387 PRESSAVG: 4870200 -33.5706 -28.1061 -6.4982 -28.106 14.0332 -6.29345 -6.49822 -6.2934 47.9139 GPRESSAVG: 4870200 -34.2871 -26.285 -5.92878 -31.0513 14.7507 -7.84603 -7.16423 -6.77895 47.4796 TIMING: 4870200 CPU: 14153.8, 0.0028927/step Wall: 14153.8, 0.0028927/step, 0.104298 hours remaining, 208.457031 MB of memory in use. ENERGY: 4870200 759.5341 2093.8373 1965.4456 106.1803 -206066.9144 17815.4136 0.0000 0.0000 34609.5897 -148716.9138 302.2542 -183326.5035 -148626.3087 300.9264 -8.5131 25.5432 558308.3961 9.4588 9.3144 PRESSURE: 4870400 -17.8256 29.7078 -278.789 29.7072 -143.271 -5.22836 -278.79 -5.22804 -167.782 GPRESSURE: 4870400 3.15633 -73.4355 -240.231 105.7 -71.3576 -29.8149 -230.135 -34.1447 -168.647 PRESSAVG: 4870400 -19.6468 -24.5902 -25.56 -24.5901 7.97801 15.5522 -25.5598 15.5522 14.023 GPRESSAVG: 4870400 -20.2602 -27.7766 -23.8351 -22.0459 7.69901 15.5728 -24.5519 17.9021 14.5964 TIMING: 4870400 CPU: 14154.4, 0.00291482/step Wall: 14154.4, 0.00291482/step, 0.104934 hours remaining, 208.457031 MB of memory in use. ENERGY: 4870400 732.4370 2159.6707 1956.5941 110.4254 -205464.5162 17417.8853 0.0000 0.0000 34439.5832 -148647.9205 300.7694 -183087.5037 -148553.5332 301.0380 -109.6261 -78.9493 557485.7597 0.7848 0.6784 PRESSURE: 4870600 -124.729 46.365 87.6474 46.3638 -37.7881 -50.8774 87.6462 -50.8768 -127.752 GPRESSURE: 4870600 -16.3531 9.6649 63.7991 53.092 -137.934 -34.6489 75.1569 -59.3407 -37.1563 PRESSAVG: 4870600 59.2359 10.3496 -5.21215 10.3496 -32.1642 52.3595 -5.21214 52.3594 -28.7413 GPRESSAVG: 4870600 60.0666 11.3736 -6.82454 8.31234 -32.5119 49.8367 -7.60042 52.2642 -28.6149 TIMING: 4870600 CPU: 14155, 0.00291938/step Wall: 14155, 0.00291938/step, 0.104935 hours remaining, 208.457031 MB of memory in use. ENERGY: 4870600 802.7005 2161.9964 1944.1773 122.1433 -205775.3988 17643.9787 0.0000 0.0000 34455.8524 -148644.5503 300.9115 -183100.4026 -148552.5202 300.5063 -96.7564 -63.8143 557453.9276 -0.5565 -0.3534 PRESSURE: 4870800 -89.3014 29.285 -68.3281 29.2847 32.7878 43.7997 -68.3281 43.8017 -341.21 GPRESSURE: 4870800 -97.2097 60.8992 -26.6957 77.1916 84.5482 9.46683 -23.2569 39.2283 -291.321 PRESSAVG: 4870800 78.1178 -27.7685 -89.4982 -27.7685 -90.3081 41.1158 -89.4982 41.1158 52.2438 GPRESSAVG: 4870800 77.0599 -27.1193 -88.7464 -27.5998 -89.8978 44.8846 -87.6145 38.449 52.7236 TIMING: 4870800 CPU: 14155.6, 0.00290194/step Wall: 14155.6, 0.00290194/step, 0.104147 hours remaining, 208.457031 MB of memory in use. ENERGY: 4870800 772.0427 2108.7885 1942.8222 117.3366 -205924.6085 17598.3643 0.0000 0.0000 34510.6907 -148874.5635 301.3904 -183385.2542 -148775.8972 299.8528 -132.5744 -101.3276 557769.9476 13.3512 13.2952 PRESSURE: 4871000 -211.474 -71.8672 25.2889 -71.8661 94.8871 -78.7277 25.2888 -78.7255 -54.3546 GPRESSURE: 4871000 -245.989 22.7562 51.8945 -68.1758 119.938 -10.9141 29.8265 -101.973 46.6146 PRESSAVG: 4871000 19.5874 7.92486 -0.365458 7.92478 13.321 -9.89563 -0.365528 -9.89573 3.59895 GPRESSAVG: 4871000 19.5949 7.753 -0.217746 6.10701 13.0966 -11.1558 -1.6182 -6.68601 3.94351 TIMING: 4871000 CPU: 14156.2, 0.00292538/step Wall: 14156.2, 0.00292538/step, 0.104826 hours remaining, 208.457031 MB of memory in use. ENERGY: 4871000 778.9521 2102.9857 1936.8660 108.1406 -205837.6630 17616.6600 0.0000 0.0000 34306.3305 -148987.7282 299.6057 -183294.0587 -148893.5170 299.9540 -56.9804 -26.4788 557533.7927 12.1691 12.2117 PRESSURE: 4871200 -8.63047 -80.6885 -29.3656 -80.6882 -117.973 -140.329 -29.366 -140.328 -238.544 GPRESSURE: 4871200 -16.431 -110.43 -23.9648 -190.555 -67.4551 -109.317 -37.3332 -158.817 -178.027 PRESSAVG: 4871200 4.10185 1.07569 -30.5426 1.07568 -10.1703 -25.8384 -30.5427 -25.8381 -4.38009 GPRESSAVG: 4871200 4.20359 2.0324 -32.9861 3.00378 -8.80421 -24.5185 -28.6095 -27.3718 -5.68228 TIMING: 4871200 CPU: 14156.8, 0.00291141/step Wall: 14156.8, 0.00291141/step, 0.104164 hours remaining, 208.457031 MB of memory in use. ENERGY: 4871200 745.7736 2115.4582 1935.6050 111.4355 -205721.3988 17597.0673 0.0000 0.0000 34316.9202 -148899.1390 299.6982 -183216.0592 -148797.4708 299.9731 -121.7158 -87.3043 557698.2910 -3.4828 -3.4276 PRESSURE: 4871400 30.5895 -74.8191 -22.1634 -74.819 91.4041 -102.552 -22.1624 -102.553 -329.331 GPRESSURE: 4871400 43.2989 -88.9927 -32.3474 -19.7555 124.662 -175.882 -70.457 -68.1862 -268.591 PRESSAVG: 4871400 -5.97261 16.7747 -76.3637 16.7746 50.2605 -46.7114 -76.3637 -46.7114 13.4846 GPRESSAVG: 4871400 -5.08177 15.8746 -73.6937 18.0726 48.9183 -47.7324 -78.1799 -46.9753 14.1781 TIMING: 4871400 CPU: 14157.3, 0.00294249/step Wall: 14157.3, 0.00294249/step, 0.105112 hours remaining, 208.457031 MB of memory in use. ENERGY: 4871400 723.5951 2119.5878 1949.6414 112.7737 -205743.2176 17608.2441 0.0000 0.0000 34393.7633 -148835.6123 300.3693 -183229.3755 -148737.1868 299.9107 -69.1124 -33.5433 556643.1767 19.2575 19.3382 PRESSURE: 4871600 103.397 10.8015 142.207 10.8002 1.14992 -73.2504 142.207 -73.251 -6.7 GPRESSURE: 4871600 88.8457 45.0509 94.5332 3.54646 57.7538 -107.902 133.836 -90.0106 50.8142 PRESSAVG: 4871600 -4.77324 -1.68152 -62.3098 -1.68146 9.11693 -33.2577 -62.3098 -33.2578 12.9398 GPRESSAVG: 4871600 -6.19632 -1.35953 -64.1597 -5.60229 9.98162 -32.2078 -59.1528 -33.2832 13.4468 TIMING: 4871600 CPU: 14157.9, 0.00292872/step Wall: 14157.9, 0.00292872/step, 0.104458 hours remaining, 208.457031 MB of memory in use. ENERGY: 4871600 756.7394 2140.8331 1923.2101 116.1037 -205817.0246 17645.9081 0.0000 0.0000 34361.4979 -148872.7323 300.0875 -183234.2302 -148777.8154 300.1728 32.6158 65.8046 556995.4259 5.7612 5.7441 PRESSURE: 4871800 -127.084 -85.2044 57.6678 -85.2043 93.8366 8.62149 57.6678 8.62159 231.304 GPRESSURE: 4871800 -86.4953 -69.4362 65.3288 -69.7122 103.232 -91.4288 29.3547 65.6755 273.944 PRESSAVG: 4871800 4.65667 -16.8819 13.326 -16.8818 14.5865 -16.7158 13.326 -16.7158 30.312 GPRESSAVG: 4871800 3.81661 -18.5024 16.4349 -11.382 15.7164 -18.3089 8.69283 -16.8503 30.5629 TIMING: 4871800 CPU: 14158.5, 0.00291333/step Wall: 14158.5, 0.00291333/step, 0.103747 hours remaining, 208.457031 MB of memory in use. ENERGY: 4871800 744.1399 2108.9179 1979.8229 119.3108 -205792.1348 17546.4198 0.0000 0.0000 34381.3678 -148912.1557 300.2610 -183293.5235 -148812.1998 300.6435 66.0190 96.8934 556455.8427 16.5184 16.6986 PRESSURE: 4872000 -275.755 -166.088 149.544 -166.088 -139.619 -27.5066 149.545 -27.5067 -175.112 GPRESSURE: 4872000 -252.775 -254.306 144.911 -97.5275 -98.7941 14.7192 126.382 -101.968 -141.28 PRESSAVG: 4872000 -30.4243 -26.9979 38.4071 -26.998 -42.7969 -6.28245 38.4071 -6.28256 55.7836 GPRESSAVG: 4872000 -28.9743 -23.6114 37.1962 -30.742 -42.342 -3.12885 40.7044 -6.69109 54.5472 TIMING: 4872000 CPU: 14159.1, 0.00291767/step Wall: 14159.1, 0.00291767/step, 0.103739 hours remaining, 208.457031 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: 4872000 795.6483 2102.6796 1959.5378 111.1803 -205899.4672 17589.3924 0.0000 0.0000 34619.5905 -148721.4384 302.3415 -183341.0288 -148617.8996 299.9755 -196.8288 -164.2829 557287.6072 -5.8125 -5.5897 PRESSURE: 4872200 89.2865 78.9659 -0.484186 78.9655 97.5118 82.2731 -0.483927 82.2724 -7.57782 GPRESSURE: 4872200 100.716 88.4311 13.2534 112.133 164.727 -31.8586 -16.4918 187.962 14.8485 PRESSAVG: 4872200 45.6215 12.4447 13.9758 12.4448 -42.6724 20.4657 13.9758 20.4656 64.1306 GPRESSAVG: 4872200 44.822 11.5664 13.2907 13.7788 -43.9464 17.2154 15.1068 20.7104 65.4 TIMING: 4872200 CPU: 14159.7, 0.00291487/step Wall: 14159.7, 0.00291487/step, 0.103478 hours remaining, 208.457031 MB of memory in use. ENERGY: 4872200 788.8782 2107.9235 1945.3010 120.1304 -205859.7984 17808.8015 0.0000 0.0000 34356.7009 -148732.0628 300.0456 -183088.7638 -148639.0707 300.8051 59.7402 93.4303 557999.3228 22.3599 22.0919 LDB: ============= START OF LOAD BALANCING ============== 14163.1 LDB: ============== END OF LOAD BALANCING =============== 14163.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14163.1 LDB: ============= START OF LOAD BALANCING ============== 14163.4 LDB: Largest compute 4848 load 0.030213 is 25.7% of average load 0.117780 LDB: Average compute 0.001741 is 1.5% of average load 0.117780 LDB: TIME 14163.4 LOAD: AVG 0.11778 MAX 0.194942 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.195 MB LDB: TIME 14163.4 LOAD: AVG 0.11778 MAX 0.194942 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: TIME 14163.4 LOAD: AVG 0.11778 MAX 0.194942 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.266 MB LDB: ============== END OF LOAD BALANCING =============== 14163.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14163.5 PRESSURE: 4872400 -253.996 -76.4156 4.80708 -76.4149 -131.061 -34.8441 4.80863 -34.8442 83.7612 GPRESSURE: 4872400 -162.808 -69.868 -94.1975 -65.1368 -117.784 20.6564 91.3687 -36.3956 63.5415 PRESSAVG: 4872400 -17.4061 2.79747 -19.2425 2.79742 -18.5597 11.5824 -19.2425 11.5825 15.2486 GPRESSAVG: 4872400 -15.7702 1.59492 -19.5221 3.43943 -19.4272 13.2191 -21.9433 11.0315 14.3185 TIMING: 4872400 CPU: 14160.3, 0.00299801/step Wall: 14160.3, 0.00299801/step, 0.106263 hours remaining, 207.742188 MB of memory in use. ENERGY: 4872400 759.8841 2085.5115 1944.0545 112.5811 -205833.3719 17669.2285 0.0000 0.0000 34344.0146 -148918.0975 299.9348 -183262.1122 -148820.9716 300.8832 -100.4318 -72.3502 558330.2792 -6.9057 -6.9596 PRESSURE: 4872600 263.133 -63.679 3.98224 -63.6794 -69.3563 153.69 3.98223 153.69 214.38 GPRESSURE: 4872600 313.069 -64.4988 -29.5928 -47.6173 -51.6317 161.203 40.818 200.717 241.902 PRESSAVG: 4872600 4.07278 -13.5971 -31.6696 -13.5971 43.0984 -44.1016 -31.6696 -44.1016 -5.8757 GPRESSAVG: 4872600 4.42101 -14.5603 -31.0387 -14.3679 43.9629 -43.8717 -31.0521 -45.61 -6.65226 TIMING: 4872600 CPU: 14160.9, 0.00294664/step Wall: 14160.9, 0.00294664/step, 0.104278 hours remaining, 207.742188 MB of memory in use. ENERGY: 4872600 741.0132 2132.7441 1951.6733 115.8025 -206364.6700 17964.8593 0.0000 0.0000 34459.7010 -148998.8767 300.9451 -183458.5777 -148902.6135 300.6200 136.0522 167.7799 555921.4142 13.7651 13.9106 PRESSURE: 4872800 354.54 -139.71 163.947 -139.71 24.5867 5.17775 163.948 5.17708 -16.9859 GPRESSURE: 4872800 396.267 -135.962 136.743 -131.501 22.0634 41.6661 185.871 -17.0064 42.5344 PRESSAVG: 4872800 -1.10336 -24.9814 13.233 -24.9815 44.5794 16.1287 13.2331 16.1287 -1.02846 GPRESSAVG: 4872800 -3.12916 -24.6265 13.0006 -24.4989 43.9375 16.2984 13.2805 19.2017 1.70609 TIMING: 4872800 CPU: 14161.5, 0.00292056/step Wall: 14161.5, 0.00292056/step, 0.103193 hours remaining, 207.742188 MB of memory in use. ENERGY: 4872800 722.0025 2115.0141 1956.4147 120.7082 -206335.6083 17910.3760 0.0000 0.0000 34574.0657 -148937.0271 301.9439 -183511.0928 -148842.8475 299.8426 120.7136 153.6217 557076.7857 14.1492 14.1715 PRESSURE: 4873000 81.3022 40.5406 -187.486 40.541 216.656 102.181 -187.487 102.181 143.93 GPRESSURE: 4873000 115.006 -0.437489 -174.119 51.8375 207.025 127.798 -182.652 158.084 223.257 PRESSAVG: 4873000 -8.04193 29.9404 48.3105 29.9404 -16.8121 30.0978 48.3103 30.0978 0.0289496 GPRESSAVG: 4873000 -7.55899 30.0136 48.3895 29.5018 -16.094 30.63 47.7397 29.8485 -1.4453 TIMING: 4873000 CPU: 14162, 0.00293225/step Wall: 14162, 0.00293224/step, 0.103443 hours remaining, 207.742188 MB of memory in use. ENERGY: 4873000 764.1768 2113.2441 1970.2729 123.2629 -206396.3971 18150.7635 0.0000 0.0000 34654.8451 -148619.8319 302.6494 -183274.6770 -148513.0443 300.5655 147.2962 181.7628 558325.3282 -8.2750 -8.3661 PRESSURE: 4873200 227.738 -80.7257 -43.9683 -80.7241 115.944 8.49858 -43.9686 8.49883 56.5842 GPRESSURE: 4873200 237.103 -125.09 55.1353 -53.5729 167.087 20.1659 -166.728 -17.1231 96.7437 PRESSAVG: 4873200 -38.6578 2.64681 10.6521 2.64676 45.5646 32.2325 10.652 32.2326 -0.128465 GPRESSAVG: 4873200 -39.1156 2.01084 10.5159 4.56933 45.0916 30.9957 11.5955 33.0185 0.600478 TIMING: 4873200 CPU: 14162.6, 0.00295487/step Wall: 14162.6, 0.00295488/step, 0.104077 hours remaining, 207.742188 MB of memory in use. ENERGY: 4873200 754.1383 2062.4744 1951.7786 110.9764 -206030.9007 17986.2034 0.0000 0.0000 34495.9517 -148669.3778 301.2617 -183165.3295 -148570.2576 301.0905 133.4219 166.9781 558254.7679 2.2595 2.1922 PRESSURE: 4873400 43.6763 -136.643 178.667 -136.642 -198.567 1.81838 178.666 1.81908 23.6274 GPRESSURE: 4873400 94.3047 -166.034 132.418 -153.737 -140.019 1.28135 137.373 -21.0577 12.9906 PRESSAVG: 4873400 27.3108 -32.3094 -17.739 -32.3093 19.8285 -33.3013 -17.739 -33.3014 -36.958 GPRESSAVG: 4873400 27.3403 -30.7229 -18.1741 -32.3718 20.5503 -32.2918 -16.6618 -33.3874 -38.3594 TIMING: 4873400 CPU: 14163.2, 0.00293673/step Wall: 14163.2, 0.00293673/step, 0.103275 hours remaining, 207.742188 MB of memory in use. ENERGY: 4873400 731.5523 2116.8330 1945.3490 114.8999 -205773.3168 17709.1694 0.0000 0.0000 34545.7199 -148609.7933 301.6964 -183155.5132 -148515.8069 301.2036 -43.7545 -10.9080 558249.9829 3.3938 3.1771 PRESSURE: 4873600 -309.623 37.9091 28.2175 37.9094 31.4552 -9.83087 28.2177 -9.83068 -245.852 GPRESSURE: 4873600 -293.116 49.2693 49.7717 78.4646 64.0016 -44.5224 31.05 -26.176 -186.605 PRESSAVG: 4873600 -52.8694 -43.2278 61.3291 -43.2278 15.732 42.0112 61.329 42.0111 61.1047 GPRESSAVG: 4873600 -53.2543 -45.1379 62.4049 -43.795 17.1893 41.3117 59.7167 41.2789 60.5438 TIMING: 4873600 CPU: 14163.8, 0.00294371/step Wall: 14163.8, 0.00294371/step, 0.103357 hours remaining, 207.742188 MB of memory in use. ENERGY: 4873600 762.0188 2144.7000 1941.3288 107.5075 -205456.4674 17459.0220 0.0000 0.0000 34237.2645 -148804.6258 299.0025 -183041.8902 -148706.8863 300.8638 -174.6733 -138.5731 558586.0118 7.9891 8.1596 PRESSURE: 4873800 -44.8205 34.475 59.7203 34.4762 138.108 -1.28428 59.7201 -1.28521 15.3122 GPRESSURE: 4873800 -16.0132 120.579 9.42151 0.777031 146.812 -5.77503 57.5115 -8.61158 69.1261 PRESSAVG: 4873800 -5.24729 -19.3832 0.14374 -19.3833 26.3861 -50.3941 0.143716 -50.394 4.15886 GPRESSAVG: 4873800 -6.30892 -19.1198 0.154137 -20.153 25.0311 -50.5025 -0.580323 -49.3131 6.57135 TIMING: 4873800 CPU: 14164.4, 0.00291956/step Wall: 14164.4, 0.00291956/step, 0.102347 hours remaining, 207.742188 MB of memory in use. ENERGY: 4873800 743.4768 2142.2599 1979.1955 114.7953 -206176.1960 18032.9830 0.0000 0.0000 34400.3037 -148763.1817 300.4264 -183163.4854 -148671.2030 300.5792 36.2001 66.6417 558365.4092 8.4326 8.4312 PRESSURE: 4874000 -85.4035 -48.7441 2.9129 -48.7447 105.719 -64.531 2.91355 -64.532 105.757 GPRESSURE: 4874000 -28.2576 -93.0792 13.0779 -73.3566 126.278 -13.5654 -12.182 -154.951 131.977 PRESSAVG: 4874000 3.57877 -15.9749 33.968 -15.9751 17.1375 -31.0574 33.968 -31.0574 14.6415 GPRESSAVG: 4874000 4.49734 -15.554 34.5264 -16.3158 18.1849 -29.3257 34.7479 -33.0161 12.751 TIMING: 4874000 CPU: 14165, 0.00292402/step Wall: 14165, 0.00292402/step, 0.102341 hours remaining, 207.742188 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: 4874000 736.8339 2124.2483 1955.7629 125.5277 -205913.4897 17739.1669 0.0000 0.0000 34373.0880 -148858.8620 300.1887 -183231.9500 -148757.4076 299.8943 42.0241 76.6657 558113.8184 11.7859 11.8111 PRESSURE: 4874200 -112.526 25.3448 -87.5388 25.3433 -310.456 135.005 -87.5381 135.005 -259.19 GPRESSURE: 4874200 -81.5099 8.12734 -93.0935 18.3067 -272.186 141.366 -101.189 174.934 -216.57 PRESSAVG: 4874200 -46.9288 -12.87 55.2567 -12.87 22.4754 -10.7498 55.2568 -10.7498 44.7014 GPRESSAVG: 4874200 -47.0822 -10.6319 54.2867 -13.1783 22.0331 -12.7855 55.3606 -9.32389 45.8971 TIMING: 4874200 CPU: 14165.6, 0.00294454/step Wall: 14165.6, 0.00294454/step, 0.102895 hours remaining, 207.742188 MB of memory in use. ENERGY: 4874200 765.5714 2187.5181 1963.0912 119.7883 -205524.9081 17315.7869 0.0000 0.0000 34360.8397 -148812.3126 300.0818 -183173.1523 -148724.8476 300.5009 -227.3906 -190.0888 559136.8223 6.7493 6.9493 PRESSURE: 4874400 -178.11 75.704 -37.8624 75.7056 -344.476 88.5826 -37.8618 88.584 -135.914 GPRESSURE: 4874400 -86.599 -54.1149 -18.8589 70.5693 -319.143 33.8823 -30.0543 51.3962 -155.286 PRESSAVG: 4874400 4.25182 -37.5175 -0.0984135 -37.5175 -16.3465 12.0537 -0.0983467 12.0538 3.62677 GPRESSAVG: 4874400 6.04238 -37.7584 1.99333 -38.0085 -17.361 13.0429 -0.691019 11.7187 3.23505 TIMING: 4874400 CPU: 14166.1, 0.00293308/step Wall: 14166.1, 0.00293308/step, 0.102332 hours remaining, 207.742188 MB of memory in use. ENERGY: 4874400 799.8716 2201.6275 1945.6221 117.9087 -205858.9938 17777.9670 0.0000 0.0000 34197.4938 -148818.5031 298.6552 -183015.9969 -148725.2958 300.1726 -219.4998 -187.0093 560846.5951 -2.8226 -2.6945 PRESSURE: 4874600 113.265 -22.5259 -78.9282 -22.5278 -37.0214 -38.2687 -78.9281 -38.2687 117.649 GPRESSURE: 4874600 104.953 -118.478 -82.4552 -16.4174 23.4572 -85.6732 -158.042 36.2923 168.704 PRESSAVG: 4874600 -23.352 32.4565 4.60554 32.4565 -77.944 -49.0528 4.60561 -49.0529 41.636 GPRESSAVG: 4874600 -24.9393 32.9313 2.77004 31.3634 -76.4122 -49.4646 4.95768 -48.8343 42.1002 TIMING: 4874600 CPU: 14166.7, 0.00291835/step Wall: 14166.7, 0.00291835/step, 0.101656 hours remaining, 207.742188 MB of memory in use. ENERGY: 4874600 731.5113 2175.6363 1963.5296 116.0780 -206239.1257 17936.6758 0.0000 0.0000 34381.4583 -148934.2363 300.2618 -183315.6946 -148836.7253 300.2842 64.6310 99.0380 558861.9267 -19.8867 -19.7505 PRESSURE: 4874800 155.456 -35.6455 107.368 -35.645 -207.686 -84.0154 107.368 -84.0146 141.232 GPRESSURE: 4874800 205.178 -30.5788 75.3101 -104.517 -145.695 10.063 162.087 -33.0062 133.309 PRESSAVG: 4874800 10.39 31.6223 -4.89815 31.6223 -16.0542 31.7016 -4.8982 31.7015 33.1052 GPRESSAVG: 4874800 10.8403 29.0939 -4.48288 34.1769 -16.0423 32.7203 -5.57249 29.9846 32.2893 TIMING: 4874800 CPU: 14167.3, 0.00293489/step Wall: 14167.3, 0.00293489/step, 0.102069 hours remaining, 207.742188 MB of memory in use. ENERGY: 4874800 746.2093 2183.0715 1956.4525 133.0977 -206045.8393 17840.6573 0.0000 0.0000 34411.2841 -148775.0669 300.5223 -183186.3510 -148686.8722 300.3100 29.6672 64.2640 559154.4729 9.1470 9.0291 PRESSURE: 4875000 -29.8001 -16.2094 -168.149 -16.2085 -138.284 25.1644 -168.149 25.1634 -189.728 GPRESSURE: 4875000 29.8416 -16.9014 -117.941 -12.9973 -146.227 -24.0272 -192.893 73.7274 -152.839 PRESSAVG: 4875000 117.457 -13.1231 13.82 -13.1231 -91.4555 13.6002 13.8199 13.6002 1.06572 GPRESSAVG: 4875000 116.001 -12.7772 12.4429 -13.7752 -91.1125 11.3506 13.5681 16.3591 1.73383 TIMING: 4875000 CPU: 14167.9, 0.00292165/step Wall: 14167.9, 0.00292165/step, 0.101446 hours remaining, 207.742188 MB of memory in use. ENERGY: 4875000 743.6231 2105.3731 1975.6608 107.5595 -205509.0890 17384.9325 0.0000 0.0000 34327.5195 -148864.4205 299.7908 -183191.9400 -148764.0829 300.2903 -119.2708 -89.7415 559619.2382 9.0225 8.8742 PRESSURE: 4875200 74.8282 -11.2006 12.1538 -11.2 -331.343 -65.4488 12.1547 -65.4497 -97.6352 GPRESSURE: 4875200 119.696 -85.1323 1.4661 67.1919 -270.961 -72.9946 -29.7478 -112.372 -103.434 PRESSAVG: 4875200 -31.0391 16.6093 -59.636 16.6092 5.40491 -70.4867 -59.636 -70.4867 13.5652 GPRESSAVG: 4875200 -28.9579 16.8171 -58.9741 17.3165 5.03229 -69.5481 -57.93 -71.5962 12.2875 TIMING: 4875200 CPU: 14168.5, 0.00291236/step Wall: 14168.5, 0.00291236/step, 0.100962 hours remaining, 207.742188 MB of memory in use. ENERGY: 4875200 758.0355 2101.3240 1976.5021 125.0677 -205859.0671 17694.8886 0.0000 0.0000 34266.7856 -148936.4635 299.2604 -183203.2492 -148843.9200 300.4964 -118.0501 -84.8999 559272.5018 -4.0230 -3.8794 PRESSURE: 4875400 -339.695 37.7388 178.094 37.7392 12.6071 -145.373 178.094 -145.373 -67.589 GPRESSURE: 4875400 -267.055 -52.0998 170.406 62.4429 3.39592 -162.828 179.023 -100.178 -29.2715 PRESSAVG: 4875400 -3.92164 -67.4911 -27.1465 -67.4911 -81.8776 -20.4223 -27.1464 -20.4224 44.2035 GPRESSAVG: 4875400 -4.91779 -66.5914 -25.896 -69.707 -81.8185 -18.9023 -28.4866 -21.6419 44.626 TIMING: 4875400 CPU: 14169.1, 0.00291418/step Wall: 14169.1, 0.00291418/step, 0.100863 hours remaining, 207.742188 MB of memory in use. ENERGY: 4875400 743.3230 2155.3951 1953.9352 101.1069 -206067.5231 17693.0011 0.0000 0.0000 34472.1869 -148948.5749 301.0542 -183420.7618 -148854.8212 299.9343 -131.5590 -97.6434 560157.9339 -13.8652 -14.0368 PRESSURE: 4875600 134.601 102.874 82.9529 102.874 49.8309 87.2895 82.9512 87.2913 20.9993 GPRESSURE: 4875600 183.611 171.886 120.211 112.923 29.6142 109.784 135.901 95.341 95.4042 PRESSAVG: 4875600 38.0203 -18.3176 -3.241 -18.3176 -5.22039 -55.5022 -3.24102 -55.5021 -8.18633 GPRESSAVG: 4875600 37.6841 -18.0593 -4.38719 -17.6287 -5.15967 -55.9504 -5.11017 -54.8377 -7.38233 TIMING: 4875600 CPU: 14169.6, 0.00290009/step Wall: 14169.6, 0.00290009/step, 0.100214 hours remaining, 207.742188 MB of memory in use. ENERGY: 4875600 766.7748 2101.6379 1974.9411 125.3030 -206360.6175 18072.6629 0.0000 0.0000 34347.7601 -148971.5377 299.9675 -183319.2977 -148875.7990 300.1951 68.4770 102.8766 557838.9516 8.2045 8.3807 PRESSURE: 4875800 -85.5211 -56.7 -76.3544 -56.7009 74.1726 79.4727 -76.3553 79.473 -152.207 GPRESSURE: 4875800 -42.2156 -83.7774 -110.85 -55.847 84.5818 39.3441 -125.838 97.7474 -113.896 PRESSAVG: 4875800 -43.67 0.23121 -25.0868 0.231292 29.3227 -16.0614 -25.0868 -16.0612 5.06028 GPRESSAVG: 4875800 -43.3611 -1.09772 -23.3532 3.10561 29.4185 -16.6946 -23.9962 -14.7709 4.08725 TIMING: 4875800 CPU: 14170.2, 0.0029114/step Wall: 14170.2, 0.0029114/step, 0.100443 hours remaining, 207.742188 MB of memory in use. ENERGY: 4875800 771.1701 2130.2706 1953.7789 111.6425 -206131.2990 17789.1131 0.0000 0.0000 34418.6313 -148956.6925 300.5865 -183375.3239 -148860.8389 300.7154 -54.5184 -23.8431 557782.8754 -3.0957 -3.2851 PRESSURE: 4876000 119.77 -16.0544 -11.1582 -16.0548 106.633 -135.715 -11.1579 -135.713 -161.456 GPRESSURE: 4876000 171.004 76.3116 -80.1212 -61.7593 112.357 -91.0543 45.4213 -159.599 -111.561 PRESSAVG: 4876000 18.252 0.918256 -17.7289 0.918183 6.52567 -23.004 -17.7289 -23.0041 0.474515 GPRESSAVG: 4876000 17.6994 2.41105 -20.1811 0.708886 7.28555 -23.0178 -15.5962 -23.9532 0.406016 TIMING: 4876000 CPU: 14170.8, 0.00290844/step Wall: 14170.8, 0.00290844/step, 0.10018 hours remaining, 207.742188 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: 4876000 772.8322 2099.0867 1957.1728 113.8383 -206182.1534 17958.1611 0.0000 0.0000 34209.4397 -149071.6224 298.7595 -183281.0621 -148978.7604 299.8714 21.6489 57.2668 558084.3828 8.4174 8.4637 PRESSURE: 4876200 16.762 69.0057 94.9945 69.0054 -177.078 9.91718 94.9967 9.91635 -3.19512 GPRESSURE: 4876200 50.6586 14.9028 123.764 91.7239 -154.355 28.4978 76.3844 -57.3254 32.9339 PRESSAVG: 4876200 36.2774 9.68444 -34.5596 9.6845 -54.4128 -17.5267 -34.5597 -17.5268 10.8849 GPRESSAVG: 4876200 36.6926 8.88726 -33.9254 7.63518 -55.3046 -17.6395 -35.3503 -17.3169 10.6019 TIMING: 4876200 CPU: 14171.4, 0.00290964/step Wall: 14171.4, 0.00290964/step, 0.100059 hours remaining, 207.742188 MB of memory in use. ENERGY: 4876200 768.2161 2131.0561 1959.4215 114.8984 -205983.9925 17730.9320 0.0000 0.0000 34082.8142 -149196.6541 297.6537 -183279.4683 -149102.4990 299.3900 -54.5036 -23.5875 557722.7956 -2.4168 -2.6700 LDB: ============= START OF LOAD BALANCING ============== 14174.9 LDB: ============== END OF LOAD BALANCING =============== 14174.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14174.9 LDB: ============= START OF LOAD BALANCING ============== 14175.2 LDB: Largest compute 4848 load 0.029832 is 25.3% of average load 0.117876 LDB: Average compute 0.001738 is 1.5% of average load 0.117876 LDB: TIME 14175.2 LOAD: AVG 0.117876 MAX 0.188765 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.934 MB LDB: TIME 14175.2 LOAD: AVG 0.117876 MAX 0.188765 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: TIME 14175.2 LOAD: AVG 0.117876 MAX 0.188765 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14175.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14175.2 PRESSURE: 4876400 99.4558 -56.9239 -4.281 -56.9239 240.395 -68.9913 -4.28076 -68.9906 -109.794 GPRESSURE: 4876400 174.738 -72.1262 -60.1629 -73.4451 270.29 -47.6941 -9.60811 -81.8263 -110.334 PRESSAVG: 4876400 22.8089 15.2472 -8.49703 15.2471 -12.6167 -23.1243 -8.49699 -23.1242 -13.4675 GPRESSAVG: 4876400 23.1838 15.2258 -7.60204 14.99 -13.3997 -22.655 -8.82232 -22.0871 -12.7595 TIMING: 4876400 CPU: 14172, 0.00297814/step Wall: 14172, 0.00297814/step, 0.10225 hours remaining, 209.156250 MB of memory in use. ENERGY: 4876400 721.9313 2115.4497 1944.4206 127.3724 -206446.9984 17971.4461 0.0000 0.0000 34040.0484 -149526.3298 297.2802 -183566.3782 -149423.3297 298.9089 76.6857 111.5646 556148.9942 -1.0918 -0.9918 PRESSURE: 4876600 -147.854 0.580049 5.45875 0.579819 -71.7561 -107.257 5.45601 -107.256 51.4814 GPRESSURE: 4876600 -178.519 19.1565 14.046 -37.4625 -44.253 -199.926 11.7477 -8.71565 138.584 PRESSAVG: 4876600 -20.0279 -21.0445 43.7722 -21.0445 49.5128 -37.032 43.7721 -37.0321 -0.543314 GPRESSAVG: 4876600 -20.0496 -20.4678 40.4364 -20.4306 49.9323 -36.953 45.6329 -37.0376 -1.01821 TIMING: 4876600 CPU: 14172.6, 0.0029308/step Wall: 14172.6, 0.0029308/step, 0.100461 hours remaining, 209.156250 MB of memory in use. ENERGY: 4876600 786.2789 2134.8343 1915.2815 119.6743 -206335.8131 17912.8359 0.0000 0.0000 33948.3752 -149518.5331 296.4796 -183466.9083 -149432.0321 298.3807 -56.0430 -28.0629 557038.5602 9.6472 9.6215 PRESSURE: 4876800 -10.4125 -174.669 -28.5557 -174.67 -243.456 -54.4185 -28.5572 -54.4203 28.2813 GPRESSURE: 4876800 45.4892 -85.2683 24.3628 -252.211 -166.507 -53.2174 -123.893 -0.768409 -17.2708 PRESSAVG: 4876800 -22.1514 -27.8688 59.3771 -27.8689 -48.7603 -12.5474 59.377 -12.5475 28.4412 GPRESSAVG: 4876800 -22.6015 -27.5489 62.0348 -29.5791 -47.9324 -12.8252 57.6862 -12.2906 28.0891 TIMING: 4876800 CPU: 14173.2, 0.00292748/step Wall: 14173.2, 0.00292748/step, 0.100185 hours remaining, 209.351562 MB of memory in use. ENERGY: 4876800 740.0896 2101.2114 1956.9185 108.3964 -206406.6409 17796.4860 0.0000 0.0000 34301.2605 -149402.2786 299.5614 -183703.5390 -149301.6177 298.2306 -75.1958 -46.0961 557308.2393 -14.1568 -14.1483 PRESSURE: 4877000 -366.283 11.187 -55.6529 11.1864 63.5383 45.9722 -55.6519 45.9738 -192.093 GPRESSURE: 4877000 -243.003 25.425 -54.2785 70.0755 4.74137 -5.50762 -27.7128 172.134 -163.225 PRESSAVG: 4877000 -2.48514 -5.87699 13.4986 -5.87702 39.9839 32.2661 13.4986 32.266 -57.8885 GPRESSAVG: 4877000 -2.54343 -5.27866 12.8753 -4.23397 39.2879 32.2954 12.9417 31.5681 -57.1276 TIMING: 4877000 CPU: 14173.8, 0.00294555/step Wall: 14173.8, 0.00294554/step, 0.100639 hours remaining, 209.351562 MB of memory in use. ENERGY: 4877000 733.9743 2058.2543 1975.9501 108.5873 -206206.3622 17707.1714 0.0000 0.0000 34166.8951 -149455.5298 298.3880 -183622.4249 -149363.8430 298.9889 -164.9458 -133.8287 558414.4895 -6.7966 -6.7944 PRESSURE: 4877200 -186.513 89.6259 45.479 89.6254 8.36237 41.7032 45.478 41.7046 -2.12473 GPRESSURE: 4877200 -168.22 90.6162 53.2278 116.162 2.30949 -2.74242 36.9717 6.41219 66.4658 PRESSAVG: 4877200 -30.6322 -7.82306 26.462 -7.82305 71.5663 67.574 26.4621 67.5741 -61.8012 GPRESSAVG: 4877200 -30.8999 -7.27599 25.3068 -7.8262 71.3142 67.5964 26.5151 68.0319 -61.6754 TIMING: 4877200 CPU: 14174.3, 0.00290574/step Wall: 14174.3, 0.00290574/step, 0.099118 hours remaining, 209.351562 MB of memory in use. ENERGY: 4877200 729.3088 2115.4642 1978.7307 107.4572 -205931.8338 17601.3239 0.0000 0.0000 33924.8032 -149474.7457 296.2737 -183399.5489 -149380.8918 298.7004 -60.0917 -33.1481 557168.9550 -6.9557 -7.0870 PRESSURE: 4877400 -63.4128 -166.78 -103.393 -166.781 -14.2483 36.8835 -103.393 36.8839 120.854 GPRESSURE: 4877400 13.6681 -206.423 -102.493 -176.5 -52.0397 92.1803 -68.9857 56.4352 175.911 PRESSAVG: 4877400 -15.0158 -16.9466 -20.2653 -16.9467 -25.51 23.6114 -20.2653 23.6114 58.3129 GPRESSAVG: 4877400 -14.2999 -18.0773 -19.5167 -16.6748 -24.842 23.1983 -20.6916 23.7379 57.0975 TIMING: 4877400 CPU: 14174.9, 0.00290813/step Wall: 14174.9, 0.00290813/step, 0.099038 hours remaining, 209.351562 MB of memory in use. ENERGY: 4877400 704.9814 2105.0012 1979.4562 121.3094 -206639.8199 17939.6126 0.0000 0.0000 34423.1053 -149366.3538 300.6255 -183789.4591 -149268.5306 298.4351 14.3978 45.8464 556338.2331 5.9290 5.9852 PRESSURE: 4877600 -430.59 153.628 76.804 153.627 -144.563 52.9172 76.8034 52.9156 -183.053 GPRESSURE: 4877600 -308.436 193.338 60.154 241.247 -164.464 83.284 144.446 3.67832 -187.668 PRESSAVG: 4877600 -34.6303 2.21704 4.5308 2.2171 77.1349 -28.1443 4.53076 -28.1444 -47.8482 GPRESSAVG: 4877600 -34.7701 3.10676 6.89066 0.27764 76.7442 -26.6977 3.85994 -30.0921 -47.542 TIMING: 4877600 CPU: 14175.5, 0.00291633/step Wall: 14175.5, 0.00291633/step, 0.0991553 hours remaining, 209.351562 MB of memory in use. ENERGY: 4877600 774.8087 2100.9356 1968.9316 107.4984 -205668.6288 17392.8849 0.0000 0.0000 34159.2012 -149164.3684 298.3208 -183323.5695 -149062.1061 299.3100 -252.7355 -220.1894 557817.6944 -1.7812 -1.8560 PRESSURE: 4877800 -124.299 67.3191 152.229 67.3182 -116.497 -46.9199 152.228 -46.9207 15.3934 GPRESSURE: 4877800 -92.2813 27.1098 170.371 97.7672 -53.6352 -129.773 109.901 37.652 -4.35372 PRESSAVG: 4877800 4.77368 19.9541 -17.3678 19.954 -30.7681 -12.4496 -17.3678 -12.4496 -0.557696 GPRESSAVG: 4877800 5.58593 19.9478 -20.0374 21.1988 -31.8451 -12.6151 -16.2955 -11.3456 -0.891326 TIMING: 4877800 CPU: 14176.1, 0.00289714/step Wall: 14176.1, 0.00289714/step, 0.0983418 hours remaining, 209.351562 MB of memory in use. ENERGY: 4877800 783.5230 2103.4230 1977.0851 103.5712 -205988.2373 17493.8387 0.0000 0.0000 34379.0145 -149147.7818 300.2405 -183526.7963 -149050.4320 299.1743 -75.1342 -50.0901 556802.4437 -8.8507 -9.0502 PRESSURE: 4878000 76.8093 -8.39288 -54.9626 -8.39319 -5.07432 -10.838 -54.964 -10.8376 -2.51588 GPRESSURE: 4878000 122.399 8.24631 -85.4559 25.2428 -16.3536 -51.8097 -38.3417 33.53 64.0962 PRESSAVG: 4878000 -21.3333 -28.8924 4.59531 -28.8923 -27.0246 -59.8928 4.59531 -59.8927 22.7746 GPRESSAVG: 4878000 -22.252 -28.9457 3.29368 -29.3702 -26.7777 -61.5016 5.1232 -59.1967 23.3667 TIMING: 4878000 CPU: 14176.7, 0.0029185/step Wall: 14176.7, 0.0029185/step, 0.0989046 hours remaining, 209.351562 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: 4878000 742.6326 2140.7436 2007.1094 115.6429 -206283.8748 17883.4507 0.0000 0.0000 34044.1538 -149350.1417 297.3161 -183394.2955 -149260.6938 299.3334 23.0730 56.7140 557179.1317 -8.5277 -8.5543 PRESSURE: 4878200 -119.809 -15.2777 -61.9804 -15.2795 203.96 31.0942 -61.9812 31.0942 97.9117 GPRESSURE: 4878200 -85.6429 23.1904 -49.3468 -44.7556 194.325 -8.66973 -86.6505 47.8183 171.691 PRESSAVG: 4878200 -68.6037 -11.1259 55.8006 -11.1258 24.321 -6.73017 55.8006 -6.73015 26.2524 GPRESSAVG: 4878200 -69.9671 -10.7366 56.745 -10.7185 25.1075 -6.18993 55.175 -6.78613 26.5227 TIMING: 4878200 CPU: 14177.2, 0.00292015/step Wall: 14177.2, 0.00292015/step, 0.0987983 hours remaining, 209.351562 MB of memory in use. ENERGY: 4878200 777.2013 2114.6600 1940.6485 101.5083 -206844.9527 18100.0209 0.0000 0.0000 34640.0770 -149170.8368 302.5204 -183810.9138 -149071.8308 299.2710 60.6876 93.4579 557333.7673 -6.0101 -6.1123 PRESSURE: 4878400 96.0388 57.52 104.489 57.5208 -239.908 -90.477 104.491 -90.4765 -74.2903 GPRESSURE: 4878400 112.555 36.9582 119.706 100.619 -185.634 -88.7549 104.963 -65.609 -40.3931 PRESSAVG: 4878400 -7.14063 27.7316 10.6649 27.7316 39.9164 -66.3127 10.665 -66.3127 -28.6034 GPRESSAVG: 4878400 -5.25817 26.4784 11.3356 28.6999 38.5361 -66.0069 12.6164 -68.0107 -28.9765 TIMING: 4878400 CPU: 14177.8, 0.00289966/step Wall: 14177.8, 0.00289966/step, 0.0979442 hours remaining, 209.351562 MB of memory in use. ENERGY: 4878400 756.0148 2077.3601 1962.9990 113.2531 -206327.7211 17940.5548 0.0000 0.0000 34272.2107 -149205.3286 299.3077 -183477.5392 -149108.7003 299.8538 -72.7197 -37.8241 559872.4047 1.3908 1.4338 PRESSURE: 4878600 -53.1493 23.6298 -29.0515 23.63 -314.403 90.1038 -29.051 90.1021 -266.616 GPRESSURE: 4878600 -95.1106 -67.3111 -57.0594 17.0434 -225.779 200.326 15.3447 -32.2806 -208.235 PRESSAVG: 4878600 17.2006 39.37 12.1901 39.37 -0.74787 8.30015 12.1902 8.30016 -25.2956 GPRESSAVG: 4878600 15.4555 40.1172 11.6046 38.4134 0.73229 9.16244 13.0582 8.56729 -25.09 TIMING: 4878600 CPU: 14178.4, 0.00290186/step Wall: 14178.4, 0.00290186/step, 0.0978573 hours remaining, 209.351562 MB of memory in use. ENERGY: 4878600 772.7775 2074.0997 1953.8630 107.6734 -205934.5072 17586.3711 0.0000 0.0000 34345.5690 -149094.1535 299.9484 -183439.7225 -148999.6396 300.0025 -211.3894 -176.3750 558611.6448 -2.9476 -2.9674 PRESSURE: 4878800 -388.866 -175.053 10.4271 -175.052 -287.614 52.1515 10.4274 52.1523 -327.613 GPRESSURE: 4878800 -383.61 -179.38 20.047 -162.839 -203.015 74.8392 17.5164 0.0937279 -322.433 PRESSAVG: 4878800 61.6789 3.88796 18.1626 3.88789 4.00486 -3.43541 18.1626 -3.43546 -54.0125 GPRESSAVG: 4878800 62.0974 2.76374 18.6922 5.22156 3.94529 -4.49349 18.328 -3.08167 -54.2655 TIMING: 4878800 CPU: 14179, 0.0029192/step Wall: 14179, 0.0029192/step, 0.0982798 hours remaining, 209.351562 MB of memory in use. ENERGY: 4878800 821.0413 2108.6354 1944.7805 111.6840 -205452.2703 17432.6357 0.0000 0.0000 34016.7118 -149016.7815 297.0764 -183033.4933 -148919.6482 299.9712 -334.6975 -303.0193 560020.3449 3.8904 3.9257 PRESSURE: 4879000 31.6661 -155.698 182.439 -155.699 24.9235 73.163 182.439 73.1616 -79.8237 GPRESSURE: 4879000 60.0583 -154.661 141.016 -133.752 69.9245 41.2845 206.955 100.405 -58.4316 PRESSAVG: 4879000 24.3925 -44.6295 33.7032 -44.6295 -3.98486 21.3943 33.7032 21.3942 -47.4325 GPRESSAVG: 4879000 25.3757 -42.3435 34.0582 -45.4292 -5.36847 21.1801 32.7208 21.9309 -47.0006 TIMING: 4879000 CPU: 14179.6, 0.00290736/step Wall: 14179.6, 0.00290736/step, 0.0977195 hours remaining, 209.351562 MB of memory in use. ENERGY: 4879000 740.8778 2074.5588 1949.4686 110.4803 -206067.6642 17808.3810 0.0000 0.0000 34401.5887 -148982.3090 300.4376 -183383.8977 -148888.0261 299.7276 -7.7447 23.8504 557718.8985 -9.0083 -8.9978 PRESSURE: 4879200 -107.649 -141.094 -53.0204 -141.094 154.005 36.3677 -53.0212 36.3674 191.664 GPRESSURE: 4879200 -116.697 -155.207 43.5599 -148.997 174.218 -63.2899 -62.064 68.3323 259.758 PRESSAVG: 4879200 -49.4761 -20.3866 20.027 -20.3866 75.0279 -0.0795839 20.0271 -0.0795913 -38.8311 GPRESSAVG: 4879200 -50.3938 -20.5252 20.7183 -22.5369 76.6901 -0.24171 20.7439 -0.464803 -39.8478 TIMING: 4879200 CPU: 14180.2, 0.00293442/step Wall: 14180.2, 0.00293442/step, 0.0984659 hours remaining, 209.351562 MB of memory in use. ENERGY: 4879200 750.6814 2132.5876 1926.0362 102.7435 -206157.6156 17914.5931 0.0000 0.0000 34327.7916 -149003.1823 299.7931 -183330.9738 -148905.8918 300.5441 79.3400 105.7596 558111.4897 -4.4264 -4.5172 PRESSURE: 4879400 -100.602 72.6782 -1.63321 72.6784 -25.304 -83.6987 -1.63226 -83.6994 76.5697 GPRESSURE: 4879400 -77.539 77.5136 -36.3854 94.8137 -9.61221 -91.8345 3.85028 -45.011 134.837 PRESSAVG: 4879400 -71.0929 12.8688 16.4813 12.8689 27.1941 -43.9251 16.4813 -43.925 49.6173 GPRESSAVG: 4879400 -69.1994 12.1975 18.8724 15.2714 23.9755 -41.1888 13.6389 -46.3941 51.0451 TIMING: 4879400 CPU: 14180.7, 0.00294296/step Wall: 14180.7, 0.00294296/step, 0.098589 hours remaining, 209.351562 MB of memory in use. ENERGY: 4879400 816.4097 2090.9815 1934.6719 110.6146 -206075.2369 17838.5764 0.0000 0.0000 34294.3855 -148989.5973 299.5014 -183283.9828 -148890.4696 299.4475 -16.4455 15.8953 557507.6844 1.9062 1.9404 PRESSURE: 4879600 -305.299 -161.63 68.5918 -161.63 417.424 -52.5784 68.5911 -52.5782 62.3596 GPRESSURE: 4879600 -253.583 -183.373 122.418 -206.249 434.158 -78.0394 -35.3236 -52.4988 99.1473 PRESSAVG: 4879600 -19.1145 -1.76198 49.2974 -1.76196 -5.32478 18.96 49.2974 18.96 40.1907 GPRESSAVG: 4879600 -19.7604 -1.19793 46.9191 -2.80637 -4.29316 18.1098 50.9131 20.4105 39.1872 TIMING: 4879600 CPU: 14181.3, 0.00292552/step Wall: 14181.3, 0.00292552/step, 0.0978424 hours remaining, 209.351562 MB of memory in use. ENERGY: 4879600 763.5300 2115.9140 1935.8054 106.0563 -205822.4873 17769.8125 0.0000 0.0000 34142.0022 -148989.3669 298.1706 -183131.3691 -148896.7266 299.0635 58.1614 93.2408 558377.2840 5.2505 5.0446 PRESSURE: 4879800 -110.004 -33.0567 56.1696 -33.0564 -7.74693 -78.1191 56.1702 -78.1186 82.9011 GPRESSURE: 4879800 -41.8944 -80.2929 31.8391 30.0594 28.0313 -24.762 72.19 -7.97396 70.1417 PRESSAVG: 4879800 27.9561 0.0341872 36.3953 0.034085 -36.7016 -3.23696 36.3953 -3.23694 -28.4263 GPRESSAVG: 4879800 27.903 0.150315 35.9843 1.12068 -36.1248 -4.91531 35.2296 -2.58451 -28.6457 TIMING: 4879800 CPU: 14181.9, 0.00290645/step Wall: 14181.9, 0.00290645/step, 0.097043 hours remaining, 209.351562 MB of memory in use. ENERGY: 4879800 761.7904 2167.7196 1969.2157 117.9134 -206025.3062 17790.9491 0.0000 0.0000 34222.1622 -148995.5557 298.8707 -183217.7179 -148902.3746 299.3717 -11.6165 18.7595 557980.8972 -12.3906 -12.2892 PRESSURE: 4880000 103.673 -97.64 -129.284 -97.6399 -304.035 -122.87 -129.283 -122.87 -237.065 GPRESSURE: 4880000 140.356 -53.0429 -73.1014 -106.753 -300.062 -39.6552 -72.3323 -225.85 -187.877 PRESSAVG: 4880000 -55.5373 22.3533 -69.6605 22.3533 30.7473 19.0057 -69.6605 19.0057 18.3779 GPRESSAVG: 4880000 -55.773 22.6168 -69.4199 20.5209 30.0893 21.3934 -67.808 18.076 19.2568 TIMING: 4880000 CPU: 14182.5, 0.00292921/step Wall: 14182.5, 0.00292921/step, 0.0976403 hours remaining, 209.351562 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: 4880000 733.6633 2127.0385 1978.3313 111.3949 -205877.2027 17523.0254 0.0000 0.0000 34117.8514 -149285.8979 297.9597 -183403.7493 -149185.0706 299.1018 -145.8089 -115.8610 557695.2891 -2.1374 -2.1423 PRESSURE: 4880200 52.6986 -180.042 -185.493 -180.042 283.493 -79.185 -185.491 -79.1853 354.565 GPRESSURE: 4880200 61.0007 -198.886 -113.152 -141.36 380.568 -76.1821 -116.653 -64.0625 346.12 PRESSAVG: 4880200 17.3348 33.2186 43.191 33.2187 -36.7391 31.4578 43.1911 31.4578 16.4708 GPRESSAVG: 4880200 16.2505 31.1389 41.73 35.2549 -35.4144 29.1112 43.3509 33.7693 16.5161 TIMING: 4880200 CPU: 14183.1, 0.00292245/step Wall: 14183.1, 0.00292245/step, 0.0972527 hours remaining, 209.351562 MB of memory in use. ENERGY: 4880200 753.0258 2092.2516 1936.5627 104.6352 -206625.7665 18181.4751 0.0000 0.0000 34312.3780 -149245.4380 299.6585 -183557.8160 -149145.2504 298.9438 230.2522 262.5631 555315.6138 -0.9778 -0.8826 LDB: ============= START OF LOAD BALANCING ============== 14186.5 LDB: ============== END OF LOAD BALANCING =============== 14186.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.6 LDB: ============= START OF LOAD BALANCING ============== 14186.8 LDB: Largest compute 4848 load 0.029378 is 24.9% of average load 0.117884 LDB: Average compute 0.001727 is 1.5% of average load 0.117884 LDB: TIME 14186.8 LOAD: AVG 0.117884 MAX 0.193397 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 14186.8 LOAD: AVG 0.117884 MAX 0.193397 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 14186.8 LOAD: AVG 0.117884 MAX 0.193397 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14186.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.9 PRESSURE: 4880400 19.7454 -22.1432 -52.926 -22.1418 400.538 -85.8332 -52.9267 -85.8327 43.6172 GPRESSURE: 4880400 85.6571 5.85843 -58.5106 -45.5255 373.874 -68.0153 6.15775 -169.037 100.671 PRESSAVG: 4880400 25.5088 -33.4589 -44.2851 -33.4589 -21.7824 23.4717 -44.2852 23.4717 43.6225 GPRESSAVG: 4880400 25.1804 -33.2318 -42.8644 -35.3499 -21.9938 22.3377 -44.6653 23.5346 44.7514 TIMING: 4880400 CPU: 14183.7, 0.00299065/step Wall: 14183.7, 0.00299065/step, 0.099356 hours remaining, 208.050781 MB of memory in use. ENERGY: 4880400 725.2659 2084.8305 1998.9416 126.4751 -206600.0363 18099.8526 0.0000 0.0000 34302.7449 -149261.9256 299.5744 -183564.6705 -149168.7411 299.4283 154.6336 186.7340 557614.7959 15.7830 15.9793 PRESSURE: 4880600 146.138 107.413 -184.061 107.414 -184.108 -9.34643 -184.062 -9.34679 -64.7424 GPRESSURE: 4880600 131.057 111.649 -204.65 34.5632 -105.967 1.0022 -107.584 -54.0045 -36.3463 PRESSAVG: 4880600 3.34997 38.7285 -40.5388 38.7285 23.4601 9.15386 -40.5388 9.15395 10.6424 GPRESSAVG: 4880600 4.38673 39.0081 -41.3096 39.8914 24.0864 11.2127 -41.2453 7.95488 9.09811 TIMING: 4880600 CPU: 14184.3, 0.00294001/step Wall: 14184.3, 0.00294001/step, 0.0975103 hours remaining, 208.253906 MB of memory in use. ENERGY: 4880600 767.7394 2145.6986 1937.0172 118.0237 -206669.4020 17900.7249 0.0000 0.0000 34494.3031 -149305.8950 301.2473 -183800.1981 -149208.8161 299.0960 -34.2374 -3.7522 557196.4645 12.4842 12.5237 PRESSURE: 4880800 50.2385 104.526 -242.909 104.526 -215.159 71.6943 -242.909 71.6944 15.9779 GPRESSURE: 4880800 106.85 112.673 -219.396 134.697 -178.276 24.8127 -322.444 76.2665 -2.24221 PRESSAVG: 4880800 31.2819 46.6548 -1.02936 46.6549 -14.9762 3.79985 -1.02935 3.79975 19.9534 GPRESSAVG: 4880800 30.6634 45.6335 0.538401 47.0112 -14.1251 2.89577 -3.68662 2.86544 19.9981 TIMING: 4880800 CPU: 14184.9, 0.00293118/step Wall: 14184.9, 0.00293118/step, 0.0970548 hours remaining, 208.398438 MB of memory in use. ENERGY: 4880800 771.8623 2118.7286 2003.6226 117.0985 -206416.4630 17950.6278 0.0000 0.0000 34203.7343 -149250.7890 298.7097 -183454.5232 -149161.4362 298.7302 -49.6475 -24.5560 559100.4782 12.0864 12.1788 PRESSURE: 4881000 -41.8688 112.282 52.2995 112.281 14.5806 62.0395 52.2977 62.0392 -255.223 GPRESSURE: 4881000 -12.2059 10.0908 60.6773 177.853 32.1581 135.493 35.9712 49.0749 -214.495 PRESSAVG: 4881000 -7.21143 47.2895 -18.7423 47.2895 -41.7559 -21.946 -18.7423 -21.9461 66.1155 GPRESSAVG: 4881000 -6.75406 49.5173 -20.1975 46.1508 -43.6704 -21.0394 -14.7494 -22.8247 67.3461 TIMING: 4881000 CPU: 14185.4, 0.00292043/step Wall: 14185.4, 0.00292043/step, 0.0965366 hours remaining, 208.398438 MB of memory in use. ENERGY: 4881000 761.3289 2135.7331 1921.6979 115.4413 -206322.2062 17929.4304 0.0000 0.0000 34330.9776 -149127.5970 299.8210 -183458.5746 -149035.1871 299.6283 -94.1705 -64.8477 558311.8713 5.7161 5.6406 PRESSURE: 4881200 -200.718 160.336 -97.8653 160.335 8.09157 68.6257 -97.8649 68.6261 -278.051 GPRESSURE: 4881200 -180.111 141.152 -29.3578 100.12 48.0165 94.5488 -72.5222 41.5154 -245.083 PRESSAVG: 4881200 53.9781 23.9862 17.0966 23.9862 -25.1642 -21.6604 17.0966 -21.6604 40.7893 GPRESSAVG: 4881200 54.5035 21.5261 17.1968 24.1001 -23.7803 -21.8773 15.5573 -20.6441 39.3451 TIMING: 4881200 CPU: 14186, 0.00293663/step Wall: 14186, 0.00293663/step, 0.0969089 hours remaining, 208.398438 MB of memory in use. ENERGY: 4881200 743.0918 2118.0966 1991.3246 109.6178 -206309.2897 17682.6333 0.0000 0.0000 34402.9248 -149261.6009 300.4493 -183664.5257 -149158.4597 299.8527 -156.8926 -125.7257 556582.2346 23.2011 23.3561 PRESSURE: 4881400 92.6986 -39.2734 73.0558 -39.2733 196.352 125.19 73.0562 125.189 55.2913 GPRESSURE: 4881400 135.356 8.47943 143.311 -106.02 199.298 188.385 13.1985 117.186 103.23 PRESSAVG: 4881400 11.0194 14.9494 -9.25142 14.9494 -13.8899 39.4978 -9.25147 39.4979 -10.0034 GPRESSAVG: 4881400 10.854 16.8405 -8.26041 14.8946 -12.791 37.9655 -8.3391 39.0823 -10.8135 TIMING: 4881400 CPU: 14186.6, 0.00292916/step Wall: 14186.6, 0.00292916/step, 0.0964996 hours remaining, 208.398438 MB of memory in use. ENERGY: 4881400 730.4668 2165.6574 1940.9325 104.4619 -206240.7807 17980.7187 0.0000 0.0000 34119.3906 -149199.1528 297.9731 -183318.5434 -149106.5630 299.5127 114.7806 145.9613 558155.7995 -4.2913 -4.2501 PRESSURE: 4881600 -195.733 38.4127 -16.1711 38.4118 263.658 50.4286 -16.1705 50.4293 -127.558 GPRESSURE: 4881600 -170.058 27.9724 -26.7124 14.1678 257.571 23.6669 7.49094 17.3841 -51.2395 PRESSAVG: 4881600 -38.2024 0.322786 28.6668 0.322789 51.6912 7.53863 28.6667 7.53851 22.2273 GPRESSAVG: 4881600 -38.3155 0.871452 29.3863 0.599012 51.6768 9.92182 26.0411 7.62919 22.3141 TIMING: 4881600 CPU: 14187.2, 0.0028965/step Wall: 14187.2, 0.0028965/step, 0.0952626 hours remaining, 208.398438 MB of memory in use. ENERGY: 4881600 739.0628 2126.2091 1967.8812 99.6591 -205831.9742 17747.3779 0.0000 0.0000 34238.1732 -148913.6110 299.0105 -183151.7842 -148820.7759 300.1772 -19.8777 12.0910 559253.7280 11.9053 11.8918 PRESSURE: 4881800 -5.88734 0.876117 -145.665 0.876324 66.4974 88.8306 -145.665 88.8321 -41.9833 GPRESSURE: 4881800 16.9582 -58.2314 -66.5685 12.5778 79.014 36.1756 -173.178 115.403 17.3562 PRESSAVG: 4881800 52.531 -33.9189 -27.3578 -33.9189 25.2095 -1.11637 -27.3577 -1.11635 -51.3543 GPRESSAVG: 4881800 52.6335 -35.015 -26.8084 -33.1124 23.8268 -0.65944 -26.1572 -2.10495 -49.9713 TIMING: 4881800 CPU: 14187.8, 0.00291554/step Wall: 14187.8, 0.00291554/step, 0.0957268 hours remaining, 208.398438 MB of memory in use. ENERGY: 4881800 746.7646 2102.0007 1933.3419 112.8904 -206278.8584 17997.1128 0.0000 0.0000 34283.4816 -149103.2665 299.4062 -183386.7480 -149011.6502 299.7876 6.2089 37.7761 559351.8296 8.7954 8.8297 PRESSURE: 4882000 -92.2306 18.8783 -6.91719 18.8793 -40.9303 123.442 -6.9169 123.442 8.83243 GPRESSURE: 4882000 -29.5352 55.4006 8.35187 -47.2058 -32.2752 207.951 -33.0217 58.0083 35.1405 PRESSAVG: 4882000 -13.5871 -23.6628 6.76183 -23.6628 -5.72252 13.784 6.7619 13.7842 66.7781 GPRESSAVG: 4882000 -14.3668 -23.0552 4.7611 -24.7241 -4.68984 12.846 6.75771 14.8914 66.8125 TIMING: 4882000 CPU: 14188.4, 0.00293016/step Wall: 14188.4, 0.00293016/step, 0.096044 hours remaining, 208.398438 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: 4882000 736.0574 2152.8040 1979.0866 116.1561 -205913.9675 17765.1652 0.0000 0.0000 34164.5874 -149000.1107 298.3678 -183164.6981 -148908.4637 299.4994 -41.4428 -8.8900 558742.7344 15.8228 15.9186 PRESSURE: 4882200 -116.754 1.01083 -84.5294 1.01043 26.8937 -3.11098 -84.5299 -3.10983 -226.21 GPRESSURE: 4882200 -65.6742 -34.8176 -163.078 41.5075 123.488 -15.3808 -21.2963 0.120998 -273.395 PRESSAVG: 4882200 -51.0227 2.60386 -23.8472 2.60389 11.2353 17.6596 -23.8473 17.6595 38.4827 GPRESSAVG: 4882200 -48.6476 1.5571 -23.0473 2.44167 9.65877 17.8054 -22.8718 17.0612 37.753 TIMING: 4882200 CPU: 14188.9, 0.00291153/step Wall: 14188.9, 0.00291153/step, 0.0952718 hours remaining, 208.398438 MB of memory in use. ENERGY: 4882200 756.8718 2135.6502 1976.4206 123.5290 -205631.8947 17539.9436 0.0000 0.0000 34133.5785 -148965.9011 298.0970 -183099.4796 -148870.8855 299.9961 -105.3567 -71.8602 558153.8593 -0.4349 -0.4120 PRESSURE: 4882400 172.814 138.745 -17.9802 138.747 -22.913 -18.9167 -17.9813 -18.9166 -296.825 GPRESSURE: 4882400 267.663 65.8772 -53.6619 97.9944 -30.5903 22.3705 -35.3867 -57.1841 -284.706 PRESSAVG: 4882400 72.5244 0.469364 -15.2127 0.469196 -30.1766 5.84798 -15.2126 5.84804 -41.4797 GPRESSAVG: 4882400 70.0574 0.818187 -14.6656 1.71377 -28.2062 5.78769 -16.129 7.48072 -40.6937 TIMING: 4882400 CPU: 14189.5, 0.00292806/step Wall: 14189.5, 0.00292806/step, 0.09565 hours remaining, 208.398438 MB of memory in use. ENERGY: 4882400 730.2561 2081.3536 1953.7416 110.1882 -205840.1679 17731.0265 0.0000 0.0000 34120.5880 -149113.0139 297.9836 -183233.6019 -149012.4886 299.9184 -48.9747 -15.8775 559245.9413 0.2893 0.3859 PRESSURE: 4882600 -373.5 -74.4172 2.99066 -74.4177 303.024 -29.1627 2.99136 -29.1612 24.001 GPRESSURE: 4882600 -350.455 -46.7266 61.2795 -120.844 312.669 -25.7029 -10.6656 -0.757307 87.8745 PRESSAVG: 4882600 -25.282 0.861379 -18.1235 0.86138 -0.536423 31.9822 -18.1234 31.9823 46.8554 GPRESSAVG: 4882600 -23.3246 1.24462 -18.675 0.510976 -2.94224 31.1774 -19.1894 29.8996 47.1645 TIMING: 4882600 CPU: 14190.1, 0.00292366/step Wall: 14190.1, 0.00292366/step, 0.0953437 hours remaining, 208.398438 MB of memory in use. ENERGY: 4882600 742.8904 2083.3330 1946.7592 114.7449 -206520.6357 18128.3058 0.0000 0.0000 34364.5322 -149140.0703 300.1140 -183504.6025 -149051.5261 298.8174 -15.4916 16.6965 560120.3327 7.0123 6.9659 PRESSURE: 4882800 147.073 103.835 -34.2914 103.835 -213.08 -46.3559 -34.2907 -46.3555 -182.849 GPRESSURE: 4882800 211.854 11.2 -68.0937 149.144 -170.612 -79.1677 17.5797 -40.8968 -189.338 PRESSAVG: 4882800 5.86755 5.87804 -23.4344 5.87805 33.9926 -23.0549 -23.4344 -23.0549 -38.0253 GPRESSAVG: 4882800 4.3937 6.34536 -22.1063 5.74463 36.959 -24.5325 -22.1785 -22.9926 -38.8183 TIMING: 4882800 CPU: 14190.7, 0.00290099/step Wall: 14190.7, 0.00290099/step, 0.0944435 hours remaining, 208.398438 MB of memory in use. ENERGY: 4882800 746.7520 2066.8416 1949.3967 102.0402 -206373.6780 17972.8912 0.0000 0.0000 34401.6517 -149134.1045 300.4382 -183535.7563 -149037.6823 299.2576 -82.9520 -49.3654 558786.9113 0.6116 0.8448 PRESSURE: 4883000 -159.257 -28.2685 -36.0038 -28.2689 -37.3933 -31.2731 -36.0041 -31.2727 -225.162 GPRESSURE: 4883000 -113.125 53.9738 -59.9583 -112.658 -5.4947 -60.6193 -60.8337 53.2259 -200.996 PRESSAVG: 4883000 3.31649 8.91528 -7.37728 8.91534 0.826654 8.93668 -7.37731 8.93677 -54.3153 GPRESSAVG: 4883000 4.30214 7.73032 -8.93048 8.23481 1.09305 9.63984 -6.92644 9.61645 -55.6399 TIMING: 4883000 CPU: 14191.3, 0.00292352/step Wall: 14191.3, 0.00292352/step, 0.0950143 hours remaining, 208.398438 MB of memory in use. ENERGY: 4883000 727.6520 2081.3444 1962.2920 112.1656 -206126.7340 17811.4157 0.0000 0.0000 34221.9208 -149209.9435 298.8685 -183431.8643 -149105.0225 298.9555 -140.6039 -106.5383 560818.1340 -16.7241 -16.7482 PRESSURE: 4883200 178.276 -98.2849 -175.606 -98.2854 -86.2144 66.3413 -175.606 66.3408 -153.153 GPRESSURE: 4883200 225.074 -131.994 -153.686 -104.042 -79.147 90.2341 -152.71 -23.0421 -108.726 PRESSAVG: 4883200 21.8152 12.3114 20.2658 12.3115 38.7414 13.7537 20.2658 13.7536 -25.7016 GPRESSAVG: 4883200 21.1717 14.0965 20.4391 11.7232 38.5469 14.321 18.4834 13.3553 -24.4124 TIMING: 4883200 CPU: 14191.9, 0.00290845/step Wall: 14191.9, 0.00290846/step, 0.0943632 hours remaining, 208.398438 MB of memory in use. ENERGY: 4883200 770.2614 2028.8697 1969.5165 111.1280 -206224.1902 17892.2150 0.0000 0.0000 34112.6572 -149339.5424 297.9143 -183452.1996 -149244.8280 299.1165 -20.3636 12.4003 559606.7275 11.6183 11.7687 PRESSURE: 4883400 -9.86918 75.7906 -145.99 75.7893 13.1738 -71.7096 -145.99 -71.71 -226.124 GPRESSURE: 4883400 56.4606 16.9208 -144.343 83.9023 18.7733 16.8038 -164.039 -119.832 -192.955 PRESSAVG: 4883400 -27.4088 -41.1069 20.0867 -41.1069 70.2795 -12.7129 20.0866 -12.7129 -46.7029 GPRESSAVG: 4883400 -27.9297 -43.7794 21.4164 -39.2171 70.0558 -12.2177 20.1671 -11.6049 -45.9544 TIMING: 4883400 CPU: 14192.4, 0.00291815/step Wall: 14192.4, 0.00291815/step, 0.0945156 hours remaining, 208.398438 MB of memory in use. ENERGY: 4883400 746.1108 2101.6073 1977.1873 115.6587 -206352.9527 18056.5668 0.0000 0.0000 34102.7104 -149253.1114 297.8275 -183355.8218 -149158.3299 299.0466 -74.2732 -39.2403 558866.9616 -1.2774 -1.2761 PRESSURE: 4883600 156.927 130.209 -84.0033 130.21 196.991 1.36004 -84.0032 1.36082 128.652 GPRESSURE: 4883600 192.099 91.7539 -60.2519 114.027 211.998 -3.83073 -79.0761 38.4929 179.979 PRESSAVG: 4883600 13.1247 7.08625 -9.1578 7.08631 -9.07962 36.6794 -9.15772 36.6795 15.1296 GPRESSAVG: 4883600 14.243 8.22154 -11.3738 5.95838 -9.71599 37.2176 -8.30624 35.9881 14.7491 TIMING: 4883600 CPU: 14193, 0.00291208/step Wall: 14193, 0.00291208/step, 0.0941573 hours remaining, 208.398438 MB of memory in use. ENERGY: 4883600 751.2406 2120.1395 1951.1839 119.4905 -206464.4728 17998.8463 0.0000 0.0000 34287.0398 -149236.5322 299.4372 -183523.5720 -149138.6069 299.0284 160.8565 194.6921 556639.4331 6.3916 6.4254 PRESSURE: 4883800 -274.336 -72.673 -106.117 -72.6732 -108.968 -37.4469 -106.116 -37.4455 -39.8564 GPRESSURE: 4883800 -152.824 -84.7393 -13.1793 -28.5809 -133.705 -57.1856 -70.889 -42.3701 -31.4833 PRESSAVG: 4883800 -3.79183 10.2548 5.38121 10.2547 -9.57555 -7.88958 5.38116 -7.88953 28.5398 GPRESSAVG: 4883800 -3.3664 9.45649 5.9691 11.3208 -8.60708 -8.10202 5.78665 -7.77925 27.4339 TIMING: 4883800 CPU: 14193.6, 0.00291729/step Wall: 14193.6, 0.00291729/step, 0.0941636 hours remaining, 208.398438 MB of memory in use. ENERGY: 4883800 804.2586 2124.6033 1974.4048 124.2517 -206377.8891 17942.4070 0.0000 0.0000 34305.9518 -149102.0117 299.6024 -183407.9636 -149013.2228 299.9346 -141.0535 -106.0040 559705.5468 5.0575 5.1535 PRESSURE: 4884000 -149.181 65.6559 71.5114 65.6555 29.4262 -118.518 71.5114 -118.518 88.2507 GPRESSURE: 4884000 -98.7062 47.8569 41.3772 112.996 23.596 -123.755 95.7014 -57.8741 133.121 PRESSAVG: 4884000 21.6493 21.4735 11.7532 21.4735 -50.2875 -33.722 11.7533 -33.722 31.89 GPRESSAVG: 4884000 20.4383 20.5179 13.4019 20.4432 -51.9028 -35.6241 9.9104 -34.8994 34.0877 TIMING: 4884000 CPU: 14194.2, 0.00292377/step Wall: 14194.2, 0.00292377/step, 0.0942105 hours remaining, 208.398438 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: 4884000 786.7494 2122.4008 1967.5731 108.5190 -206166.7582 17820.8513 0.0000 0.0000 34249.7455 -149110.9190 299.1115 -183360.6645 -149007.6945 299.5908 -10.5015 19.3368 558576.6223 1.0839 0.8744 PRESSURE: 4884200 -60.3293 104.404 -159.004 104.403 -225.149 -208.855 -159.004 -208.856 133.748 GPRESSURE: 4884200 -54.9538 124.024 -180.952 155.808 -155.364 -141.462 -145.817 -224.063 156.612 PRESSAVG: 4884200 -50.6973 71.44 29.645 71.44 1.79334 -41.7961 29.645 -41.7961 37.6634 GPRESSAVG: 4884200 -51.5922 74.4232 29.2632 72.3359 4.04316 -40.6391 28.8731 -40.424 35.9735 TIMING: 4884200 CPU: 14194.8, 0.00291283/step Wall: 14194.8, 0.00291283/step, 0.0936959 hours remaining, 208.398438 MB of memory in use. ENERGY: 4884200 740.3529 2181.6626 1987.1378 128.9891 -206427.4854 17769.2871 0.0000 0.0000 34513.8656 -149106.1903 301.4182 -183620.0558 -149009.6867 299.5933 -50.5768 -17.9018 556794.9610 -3.7468 -3.8585 LDB: ============= START OF LOAD BALANCING ============== 14198.2 LDB: ============== END OF LOAD BALANCING =============== 14198.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14198.2 LDB: ============= START OF LOAD BALANCING ============== 14198.5 LDB: Largest compute 4848 load 0.030551 is 25.9% of average load 0.117933 LDB: Average compute 0.001729 is 1.5% of average load 0.117933 LDB: TIME 14198.5 LOAD: AVG 0.117933 MAX 0.190946 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.129 MB LDB: TIME 14198.5 LOAD: AVG 0.117933 MAX 0.190946 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: TIME 14198.5 LOAD: AVG 0.117933 MAX 0.190946 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.199 MB LDB: ============== END OF LOAD BALANCING =============== 14198.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14198.5 PRESSURE: 4884400 -61.1207 209.189 55.0487 209.188 -15.7498 -20.7236 55.0474 -20.7225 88.8516 GPRESSURE: 4884400 -52.8739 209.691 35.9834 191.93 35.8489 100.268 59.8167 -35.7093 112.085 PRESSAVG: 4884400 -37.5162 34.4034 3.34675 34.4034 11.2772 6.13673 3.3466 6.13672 54.9637 GPRESSAVG: 4884400 -37.7105 33.5538 3.9723 36.8627 10.252 4.98464 3.09165 7.1454 55.5682 TIMING: 4884400 CPU: 14195.4, 0.00296401/step Wall: 14195.4, 0.00296401/step, 0.0951777 hours remaining, 206.917969 MB of memory in use. ENERGY: 4884400 786.1742 2157.1954 1953.7778 124.8552 -206079.6909 17854.9893 0.0000 0.0000 34311.2377 -148891.4612 299.6486 -183202.6989 -148793.8444 299.7791 3.9937 31.6866 556148.1615 9.5749 9.3699 PRESSURE: 4884600 71.1099 10.6324 -89.3797 10.6324 -184.019 -7.33482 -89.3801 -7.33604 18.6921 GPRESSURE: 4884600 27.5586 -4.17551 38.0773 48.1935 -121.84 -24.1029 -103.367 103.207 91.2857 PRESSAVG: 4884600 -2.09988 5.64487 -23.2515 5.64485 -20.5249 4.64391 -23.2517 4.64406 7.43567 GPRESSAVG: 4884600 -3.04783 5.07593 -23.7949 3.49005 -20.9767 5.96008 -21.9566 3.30599 8.48431 TIMING: 4884600 CPU: 14196, 0.00291672/step Wall: 14196, 0.00291672/step, 0.0934971 hours remaining, 207.027344 MB of memory in use. ENERGY: 4884600 696.5636 2121.9822 1962.4338 115.7536 -206056.9016 17633.0734 0.0000 0.0000 34467.8852 -149059.2097 301.0166 -183527.0950 -148954.1986 300.1230 -31.4058 -0.9986 558190.3202 -5.0630 -5.1801 PRESSURE: 4884800 -142.148 165.736 44.1749 165.736 -121.932 82.6202 44.177 82.6186 -132.049 GPRESSURE: 4884800 -58.8005 204.433 39.7672 123.236 -107.783 122.223 -23.0126 137.862 -139.611 PRESSAVG: 4884800 0.505319 -11.2418 -9.83843 -11.2419 0.596748 18.41 -9.83846 18.4101 -5.84709 GPRESSAVG: 4884800 1.82005 -12.9768 -9.6391 -9.82979 1.34046 19.0305 -10.2071 18.6728 -8.41023 TIMING: 4884800 CPU: 14196.5, 0.00290726/step Wall: 14196.5, 0.00290726/step, 0.0930324 hours remaining, 207.027344 MB of memory in use. ENERGY: 4884800 798.4881 2107.2727 1978.6651 99.8986 -206224.9550 17779.2076 0.0000 0.0000 34233.6225 -149227.8003 298.9707 -183461.4228 -149131.9491 298.9725 -132.0430 -102.0647 559729.9333 -1.5817 -1.7499 PRESSURE: 4885000 -303.104 27.406 -53.2159 27.4063 -4.77668 1.79063 -53.2151 1.79043 85.3145 GPRESSURE: 4885000 -275.366 -43.7363 -58.765 83.6283 89.5871 38.09 -27.7422 -49.5336 58.1511 PRESSAVG: 4885000 -24.8792 37.9867 -16.4058 37.9867 -9.86062 13.4213 -16.4057 13.4213 24.9298 GPRESSAVG: 4885000 -26.179 39.8693 -17.7617 36.4186 -8.26256 13.896 -15.0143 12.686 24.8114 TIMING: 4885000 CPU: 14197.1, 0.00291768/step Wall: 14197.1, 0.00291768/step, 0.0932035 hours remaining, 207.027344 MB of memory in use. ENERGY: 4885000 762.0190 2085.1308 1950.2591 104.0073 -206200.0393 17959.0535 0.0000 0.0000 34080.0204 -149259.5492 297.6293 -183339.5695 -149171.3271 299.5031 -74.1888 -42.5425 559104.8213 -3.2700 -3.2100 PRESSURE: 4885200 -30.412 -8.84531 -112.138 -8.84399 69.7506 -112.518 -112.136 -112.517 -60.9677 GPRESSURE: 4885200 13.16 -63.1575 -34.8505 -41.9488 79.6336 -102.177 -164.525 -120.433 -9.37862 PRESSAVG: 4885200 -37.9616 -37.502 14.0186 -37.5019 -22.3773 5.68984 14.0186 5.68987 19.0453 GPRESSAVG: 4885200 -36.7076 -37.8735 12.5793 -37.246 -25.5871 5.08172 13.2377 5.23607 20.8803 TIMING: 4885200 CPU: 14197.7, 0.00291948/step Wall: 14197.7, 0.00291948/step, 0.093099 hours remaining, 207.027344 MB of memory in use. ENERGY: 4885200 747.3976 2058.5460 1978.9037 118.0383 -206651.0821 17986.4443 0.0000 0.0000 34544.5420 -149217.2100 301.6861 -183761.7520 -149121.7097 298.9428 -7.2097 27.8050 558863.0658 -13.7645 -13.8048 PRESSURE: 4885400 42.9572 -207.777 -26.279 -207.777 -81.4955 -161.243 -26.2782 -161.243 -211.641 GPRESSURE: 4885400 126.863 -179.01 -47.605 -248.604 -59.3417 -146.221 -4.86895 -173.565 -226.884 PRESSAVG: 4885400 42.4908 2.17047 8.68779 2.17039 -16.8932 -32.8672 8.68782 -32.8673 -55.6634 GPRESSAVG: 4885400 42.3341 3.10741 10.2167 2.52584 -16.0945 -32.0896 10.5915 -30.656 -56.2844 TIMING: 4885400 CPU: 14198.3, 0.00291044/step Wall: 14198.3, 0.00291044/step, 0.092649 hours remaining, 207.230469 MB of memory in use. ENERGY: 4885400 712.8355 2094.8535 1923.9384 120.2178 -205971.6595 17698.2058 0.0000 0.0000 34175.4721 -149246.1363 298.4629 -183421.6084 -149146.9070 298.9966 -83.3932 -53.1209 559049.2493 -10.0219 -10.0150 PRESSURE: 4885600 -365.656 -137.562 91.0123 -137.562 -288.752 132.677 91.0113 132.676 -23.6266 GPRESSURE: 4885600 -284.661 32.7222 23.8797 -187.358 -292.266 73.7837 48.0241 173.709 -7.34956 PRESSAVG: 4885600 14.5513 18.7478 -17.0403 18.7477 -10.7686 -0.47429 -17.0401 -0.474339 4.63945 GPRESSAVG: 4885600 14.0907 18.1391 -19.2072 17.8964 -10.5289 -1.70259 -16.5245 -2.59322 5.1189 TIMING: 4885600 CPU: 14198.9, 0.00293118/step Wall: 14198.9, 0.00293118/step, 0.0931464 hours remaining, 207.230469 MB of memory in use. ENERGY: 4885600 728.5144 2140.8610 1944.0719 120.0783 -205703.1261 17432.2519 0.0000 0.0000 34098.9950 -149238.3537 297.7950 -183337.3487 -149143.0907 298.6769 -226.0116 -194.7589 558696.0328 2.8074 2.8936 PRESSURE: 4885800 57.1041 23.6695 122.072 23.6678 36.3666 -12.2856 122.073 -12.2857 -38.9421 GPRESSURE: 4885800 130.382 -106.525 132.159 65.1884 56.7672 40.9737 97.1454 51.7851 -39.5472 PRESSAVG: 4885800 -14.9007 -27.154 9.00216 -27.154 -24.184 15.7856 9.00224 15.7854 76.9095 GPRESSAVG: 4885800 -13.7658 -25.8183 6.78343 -25.7926 -24.4644 17.6953 8.06573 15.6801 76.2372 TIMING: 4885800 CPU: 14199.5, 0.00293547/step Wall: 14199.5, 0.00293547/step, 0.0931196 hours remaining, 207.230469 MB of memory in use. ENERGY: 4885800 762.1786 2078.2944 1953.2577 112.6585 -206521.5425 17936.1417 0.0000 0.0000 34692.6290 -148986.3827 302.9794 -183679.0117 -148894.1176 299.7698 18.1762 49.2007 557178.4866 12.6083 12.6690 PRESSURE: 4886000 190.62 -69.8512 38.6757 -69.853 22.0716 -64.283 38.6751 -64.2826 336.15 GPRESSURE: 4886000 160.243 -132.528 109.761 -50.0399 114.763 -32.0595 79.2558 -31.6171 370.036 PRESSAVG: 4886000 36.6373 44.1587 11.6587 44.1587 -52.4815 -18.0819 11.6589 -18.0818 51.8032 GPRESSAVG: 4886000 36.0015 44.1792 15.5474 42.4104 -52.8241 -18.3965 10.2884 -16.4111 52.435 TIMING: 4886000 CPU: 14200, 0.00292267/step Wall: 14200, 0.00292267/step, 0.0925511 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4886000 793.7559 2067.7332 1949.8401 114.7906 -206224.1771 18115.1672 0.0000 0.0000 34305.4709 -148877.4192 299.5982 -183182.8901 -148783.2731 300.0285 182.9475 215.0142 557435.7923 11.9863 11.8708 PRESSURE: 4886200 -217.352 -22.499 17.287 -22.4983 -301.049 -52.4279 17.288 -52.429 24.9538 GPRESSURE: 4886200 -174.792 -71.0839 64.4772 -35.9167 -263.501 -70.2248 37.1258 -109.076 43.6911 PRESSAVG: 4886200 -6.64228 21.5552 -38.0485 21.555 -27.4902 0.376898 -38.0485 0.376941 35.0711 GPRESSAVG: 4886200 -5.44065 19.2165 -37.1454 22.3967 -27.6535 -0.24248 -38.091 0.170443 33.9233 TIMING: 4886200 CPU: 14200.6, 0.00294121/step Wall: 14200.6, 0.00294121/step, 0.092975 hours remaining, 207.230469 MB of memory in use. ENERGY: 4886200 723.7115 2099.4600 1967.7856 116.1591 -205881.7667 17688.0513 0.0000 0.0000 34170.0860 -149116.5132 298.4159 -183286.5993 -149017.1998 299.7029 -164.4822 -131.5338 559833.2328 0.3129 0.2764 PRESSURE: 4886400 101.114 -23.1393 -121.723 -23.1404 -72.1788 11.5267 -121.723 11.5286 9.26995 GPRESSURE: 4886400 163.673 -91.4923 -114.85 -36.8799 -72.4041 37.2703 -128.207 57.389 37.032 PRESSAVG: 4886400 -2.0938 6.16937 29.6787 6.16929 -81.0673 -14.9524 29.6788 -14.9524 19.0412 GPRESSAVG: 4886400 -3.33207 6.38497 27.6102 7.4752 -79.3447 -16.4546 32.2153 -15.0212 18.4348 TIMING: 4886400 CPU: 14201.2, 0.00292643/step Wall: 14201.2, 0.00292643/step, 0.0923451 hours remaining, 207.230469 MB of memory in use. ENERGY: 4886400 737.1060 2121.6292 1940.3642 95.2968 -206319.9319 17981.6403 0.0000 0.0000 34330.1192 -149113.7762 299.8135 -183443.8954 -149013.6658 299.6483 12.7352 42.7669 558185.0004 -21.3733 -21.4140 PRESSURE: 4886600 -337.255 -22.746 -36.779 -22.746 -87.7103 -195.223 -36.7773 -195.221 160.493 GPRESSURE: 4886600 -321.704 -86.4109 -53.8932 67.7393 -65.9294 -263.319 -58.4381 -39.1221 216.634 PRESSAVG: 4886600 0.42843 -81.1008 45.5558 -81.1007 -41.0818 14.9781 45.5558 14.9782 21.2568 GPRESSAVG: 4886600 1.19891 -78.44 48.1094 -83.1366 -42.3742 15.7023 44.0832 16.3439 22.0027 TIMING: 4886600 CPU: 14201.8, 0.00291257/step Wall: 14201.8, 0.00291257/step, 0.0917459 hours remaining, 207.230469 MB of memory in use. ENERGY: 4886600 734.5682 2120.7854 1936.3078 105.3371 -205954.5379 17661.0627 0.0000 0.0000 34218.4388 -149178.0378 298.8381 -183396.4767 -149086.0599 298.5667 -88.1576 -56.9999 558689.6234 -6.4656 -6.3909 PRESSURE: 4886800 -197.069 -130.213 102.325 -130.212 -53.3526 102.417 102.324 102.416 -175.044 GPRESSURE: 4886800 -105.61 -147.663 89.9471 -76.3985 -61.2689 150.31 109.053 121.772 -158.132 PRESSAVG: 4886800 38.3712 -43.3543 45.427 -43.3545 -23.4612 26.7772 45.4271 26.7773 27.7273 GPRESSAVG: 4886800 38.3432 -45.8136 43.7681 -43.248 -23.5546 28.3014 46.3093 26.3173 26.8416 TIMING: 4886800 CPU: 14202.4, 0.00293497/step Wall: 14202.4, 0.00293497/step, 0.0922884 hours remaining, 207.230469 MB of memory in use. ENERGY: 4886800 773.0917 2041.9859 1964.8215 111.6737 -205940.1795 17727.7070 0.0000 0.0000 34410.0843 -148910.8154 300.5118 -183320.8997 -148820.1017 299.1861 -141.8220 -108.3369 558488.1285 14.2125 13.8767 PRESSURE: 4887000 135.519 224.148 -20.1329 224.147 -48.7116 -223.615 -20.1321 -223.616 167.684 GPRESSURE: 4887000 139.769 123.361 0.347401 268.364 18.9911 -199.456 -1.57038 -177.592 199.071 PRESSAVG: 4887000 -28.3585 -17.4218 -52.1246 -17.4218 0.558169 -30.7737 -52.1246 -30.7738 24.8021 GPRESSAVG: 4887000 -28.9685 -16.2957 -51.2284 -18.4894 0.441382 -31.798 -53.8867 -32.7175 25.1859 TIMING: 4887000 CPU: 14203, 0.00295894/step Wall: 14203, 0.00295894/step, 0.0928779 hours remaining, 207.230469 MB of memory in use. ENERGY: 4887000 715.0346 2170.2475 1936.6676 110.2056 -206031.1703 17911.0544 0.0000 0.0000 34368.1011 -148819.8596 300.1452 -183187.9607 -148724.0260 300.5695 84.8305 119.2769 557515.5532 -0.9994 -1.1138 PRESSURE: 4887200 28.7961 -91.9708 -210.149 -91.9717 -87.3901 -26.0466 -210.149 -26.0465 79.8027 GPRESSURE: 4887200 18.6381 -72.28 -156.83 -107.376 -77.9642 -138.066 -220.943 11.217 180.681 PRESSAVG: 4887200 -17.4369 64.839 -6.57445 64.839 -40.0838 14.6783 -6.57452 14.6782 24.2145 GPRESSAVG: 4887200 -17.899 65.0962 -6.99679 64.1882 -38.8585 14.667 -6.25266 16.2758 23.5825 TIMING: 4887200 CPU: 14203.6, 0.00292323/step Wall: 14203.6, 0.00292323/step, 0.0915946 hours remaining, 207.230469 MB of memory in use. ENERGY: 4887200 719.4906 2191.7529 1968.4749 119.3172 -205682.3654 17625.6583 0.0000 0.0000 34320.3218 -148737.3498 299.7279 -183057.6716 -148644.7232 300.4387 7.0696 40.4515 556680.9583 -11.1021 -11.0583 PRESSURE: 4887400 -178.944 -22.7246 -67.1928 -22.7248 60.7471 -216.283 -67.1928 -216.284 -111.907 GPRESSURE: 4887400 -122.476 -25.1233 -39.3224 -4.6209 80.8425 -199.971 -9.90227 -258.369 -100.194 PRESSAVG: 4887400 -33.3399 49.4963 15.6792 49.4963 46.815 -14.2693 15.6793 -14.2692 -16.9768 GPRESSAVG: 4887400 -32.4507 48.0527 14.3787 49.9846 45.5876 -14.3366 15.66 -14.3061 -16.3472 TIMING: 4887400 CPU: 14204.1, 0.00292815/step Wall: 14204.1, 0.00292815/step, 0.0915862 hours remaining, 207.230469 MB of memory in use. ENERGY: 4887400 704.0960 2064.1127 1938.9436 120.7063 -205746.4942 17578.5349 0.0000 0.0000 34381.6879 -148958.4129 300.2638 -183340.1009 -148860.3966 300.6380 -76.7014 -47.2756 557592.3026 -1.1672 -1.0701 PRESSURE: 4887600 242.913 -50.8993 -34.2429 -50.8998 337.727 20.844 -34.2448 20.8438 289.519 GPRESSURE: 4887600 312.989 -94.2015 -60.034 -0.313333 297.003 -24.7734 19.1417 50.9891 349.17 PRESSAVG: 4887600 -48.2746 22.3489 13.049 22.3488 53.5307 -6.6632 13.0489 -6.66326 -23.6315 GPRESSAVG: 4887600 -47.9853 23.2876 14.5196 22.8444 53.5991 -5.83083 12.7061 -6.46936 -23.8585 TIMING: 4887600 CPU: 14204.7, 0.00293658/step Wall: 14204.7, 0.00293658/step, 0.0916866 hours remaining, 207.230469 MB of memory in use. ENERGY: 4887600 668.8216 2098.0271 1966.5288 107.6889 -206378.8614 18043.6904 0.0000 0.0000 34537.1458 -148956.9589 301.6215 -183494.1047 -148858.0629 299.9244 290.0533 319.7206 557275.4941 -6.1251 -6.0816 PRESSURE: 4887800 -52.2776 -20.6176 81.7215 -20.6177 -158.393 -193.068 81.7219 -193.066 73.0923 GPRESSURE: 4887800 -62.6558 2.55122 106.242 -19.3008 -110.993 -200.515 48.0876 -196.761 128.333 PRESSAVG: 4887800 26.1815 11.2194 -1.07836 11.2194 -44.7586 -26.4007 -1.0783 -26.4006 -9.24548 GPRESSAVG: 4887800 25.064 11.6886 -3.36045 11.0741 -45.0639 -27.1181 -2.04759 -27.4354 -7.41393 TIMING: 4887800 CPU: 14205.3, 0.00292968/step Wall: 14205.3, 0.00292968/step, 0.0913083 hours remaining, 207.230469 MB of memory in use. ENERGY: 4887800 721.9183 2081.3460 1956.4672 94.9146 -205928.3153 17661.8399 0.0000 0.0000 34565.4540 -148846.3753 301.8687 -183411.8293 -148751.6337 300.5763 -45.8593 -15.1052 558315.8606 -9.2742 -9.1379 PRESSURE: 4888000 -206.877 70.7968 -38.4879 70.7982 -211.101 26.1412 -38.487 26.1427 -176.025 GPRESSURE: 4888000 -158.024 88.8033 -44.6432 92.2023 -178.667 70.8449 23.4519 21.6011 -158.48 PRESSAVG: 4888000 14.4292 72.7074 56.6097 72.7074 -11.6414 18.3223 56.6096 18.3223 37.7712 GPRESSAVG: 4888000 15.6223 72.3981 58.1855 73.7233 -11.0173 17.3707 58.5884 21.2688 36.7179 TIMING: 4888000 CPU: 14205.9, 0.00290245/step Wall: 14205.9, 0.00290245/step, 0.0902983 hours remaining, 207.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4888000 764.1295 2096.2577 1947.6627 114.6905 -205650.6860 17419.8640 0.0000 0.0000 34241.9222 -149066.1593 299.0432 -183308.0815 -148961.6513 299.9249 -198.0010 -165.0571 558230.9899 13.5197 13.7743 PRESSURE: 4888200 23.3625 -25.9223 -56.9717 -25.9222 -183.822 -73.2004 -56.9713 -73.2012 -31.4749 GPRESSURE: 4888200 63.7038 -19.8734 -5.14977 -46.8065 -186.35 -82.7846 -133.569 -63.1742 32.5491 PRESSAVG: 4888200 26.4912 41.8141 31.9954 41.8142 -25.9991 -0.0472864 31.9954 -0.047309 -34.4468 GPRESSAVG: 4888200 26.4517 41.051 32.2153 40.8502 -26.2822 0.628777 30.8724 -1.53414 -34.7529 TIMING: 4888200 CPU: 14206.5, 0.00293102/step Wall: 14206.5, 0.00293102/step, 0.0910246 hours remaining, 207.230469 MB of memory in use. ENERGY: 4888200 755.1208 2111.2592 1946.8377 114.3082 -205805.1837 17702.1538 0.0000 0.0000 34120.5383 -149054.9655 297.9831 -183175.5038 -148963.9604 300.0456 -63.9783 -30.0324 556817.5924 -11.3182 -11.5278 LDB: ============= START OF LOAD BALANCING ============== 14210 LDB: ============== END OF LOAD BALANCING =============== 14210 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14210 LDB: ============= START OF LOAD BALANCING ============== 14210.2 LDB: Largest compute 4848 load 0.030583 is 26.0% of average load 0.117810 LDB: Average compute 0.001738 is 1.5% of average load 0.117810 LDB: TIME 14210.2 LOAD: AVG 0.11781 MAX 0.189215 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 14210.2 LOAD: AVG 0.11781 MAX 0.189215 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: TIME 14210.2 LOAD: AVG 0.11781 MAX 0.189215 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 14210.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14210.3 PRESSURE: 4888400 -21.7586 -33.3606 12.4705 -33.3595 -157.651 70.2813 12.4708 70.2822 -309.552 GPRESSURE: 4888400 -15.0534 -143.996 -23.4715 50.59 -105.924 40.999 45.6801 -9.03052 -251.864 PRESSAVG: 4888400 -20.7372 -3.96165 -18.6164 -3.9617 14.1417 22.2925 -18.6164 22.2924 -4.68081 GPRESSAVG: 4888400 -20.1866 -4.24712 -17.6713 -4.5086 14.1106 21.2412 -17.7281 21.9554 -4.84989 TIMING: 4888400 CPU: 14207.1, 0.00296987/step Wall: 14207.1, 0.00296987/step, 0.0920659 hours remaining, 207.355469 MB of memory in use. ENERGY: 4888400 728.7089 2095.7058 1961.2950 95.3771 -205489.3038 17383.9998 0.0000 0.0000 34208.1098 -149016.1075 298.7479 -183224.2173 -148920.4159 299.8588 -162.9872 -124.2804 558094.9570 -3.7588 -3.6420 PRESSURE: 4888600 -339.716 -49.3929 -199.847 -49.3939 -204.391 245.994 -199.848 245.994 -21.4814 GPRESSURE: 4888600 -308.545 -106.018 -185.246 -10.7151 -159.395 263.629 -125.326 221.311 1.19304 PRESSAVG: 4888600 -2.04801 32.7514 -22.486 32.7515 -14.8674 60.4198 -22.486 60.4198 -8.81049 GPRESSAVG: 4888600 -1.70452 33.9296 -24.8238 33.9402 -15.6103 60.812 -21.2612 61.1672 -8.50703 TIMING: 4888600 CPU: 14207.7, 0.00292317/step Wall: 14207.7, 0.00292317/step, 0.0904559 hours remaining, 207.558594 MB of memory in use. ENERGY: 4888600 733.0637 2139.8331 1969.5906 108.3903 -205679.3732 17377.5108 0.0000 0.0000 34333.2528 -149017.7319 299.8408 -183350.9846 -148921.8727 299.6241 -188.5293 -155.5823 557522.0504 -8.5753 -8.6073 PRESSURE: 4888800 -97.1893 -5.74006 93.3971 -5.73965 -31.0435 129.62 93.3963 129.621 -336.651 GPRESSURE: 4888800 -56.2331 -8.91846 58.1739 -86.9516 25.6325 86.4228 62.9716 221.458 -323.373 PRESSAVG: 4888800 8.43299 39.7946 -32.2722 39.7947 10.8252 6.71835 -32.2722 6.71837 40.8899 GPRESSAVG: 4888800 8.28229 38.8821 -30.9038 38.7456 11.7219 7.20217 -35.2461 5.48474 40.7415 TIMING: 4888800 CPU: 14208.2, 0.00290354/step Wall: 14208.2, 0.00290354/step, 0.089687 hours remaining, 207.558594 MB of memory in use. ENERGY: 4888800 694.8063 2136.2687 1969.2446 116.0549 -205768.3383 17439.3044 0.0000 0.0000 34379.0933 -149033.5662 300.2412 -183412.6595 -148945.4737 299.8829 -154.9614 -117.9912 558464.8415 20.0494 20.2486 PRESSURE: 4889000 102.246 154.443 -3.61177 154.442 335.891 -23.3858 -3.6117 -23.3869 215.488 GPRESSURE: 4889000 137.562 169.64 19.8661 105.947 364.189 29.4593 -77.3202 -31.4419 250.157 PRESSAVG: 4889000 58.2364 -38.09 17.9562 -38.09 0.997788 32.2188 17.9562 32.2186 -47.6307 GPRESSAVG: 4889000 57.368 -36.4923 17.7918 -38.2875 1.14585 32.389 18.5518 31.5688 -47.0936 TIMING: 4889000 CPU: 14208.8, 0.00290551/step Wall: 14208.8, 0.00290551/step, 0.0895866 hours remaining, 207.558594 MB of memory in use. ENERGY: 4889000 722.7235 2054.4709 1932.2476 127.7928 -206403.3307 18091.0218 0.0000 0.0000 34442.8439 -149032.2302 300.7979 -183475.0741 -148942.1504 299.4060 217.8749 250.6361 557280.4062 3.8678 3.8067 PRESSURE: 4889200 4.58587 -164.988 -126.426 -164.989 -32.9804 -164.223 -126.427 -164.221 120.327 GPRESSURE: 4889200 16.1909 -194.98 -129.618 -91.232 32.728 -202.809 -20.8164 -133.784 131.126 PRESSAVG: 4889200 -96.5077 -65.6164 1.45918 -65.6163 61.9571 47.5388 1.4591 47.5389 11.1085 GPRESSAVG: 4889200 -96.2814 -66.7534 1.06776 -65.3889 61.068 47.0098 2.35664 48.7493 11.8654 TIMING: 4889200 CPU: 14209.4, 0.00293779/step Wall: 14209.4, 0.00293779/step, 0.0904186 hours remaining, 207.558594 MB of memory in use. ENERGY: 4889200 755.2199 2089.6894 1951.7119 98.9728 -205951.9903 17721.9711 0.0000 0.0000 34254.7198 -149079.7054 299.1550 -183334.4252 -148980.9168 299.3365 30.6443 60.0150 555701.0214 -7.8140 -7.7827 PRESSURE: 4889400 312.471 145.8 -33.3776 145.8 169.943 -151.609 -33.3762 -151.61 207.727 GPRESSURE: 4889400 290.306 68.0908 22.25 166.559 292.827 -180.367 -47.5035 -115.548 195.846 PRESSAVG: 4889400 16.8979 33.3758 20.0718 33.3758 34.4513 -16.1292 20.0719 -16.1291 -63.2902 GPRESSAVG: 4889400 16.5942 32.5426 23.3298 34.2027 35.574 -16.501 18.5398 -15.2606 -64.2559 TIMING: 4889400 CPU: 14210, 0.00293855/step Wall: 14210, 0.00293855/step, 0.0902789 hours remaining, 207.761719 MB of memory in use. ENERGY: 4889400 724.8569 2093.4198 1930.0339 107.5773 -206493.7878 18022.1607 0.0000 0.0000 34517.0628 -149098.6764 301.4461 -183615.7392 -148999.8650 300.0979 230.0469 259.6596 557210.2347 -3.9803 -4.0292 PRESSURE: 4889600 -108.979 -35.7007 -152.448 -35.7001 -239.581 -13.6671 -152.449 -13.6684 225.347 GPRESSURE: 4889600 -16.7256 20.4078 -113.906 -70.7186 -230.274 -31.6823 -187.475 29.7554 212.623 PRESSAVG: 4889600 45.7434 -12.8643 -36.4111 -12.8643 4.56887 -33.6994 -36.4112 -33.6994 -24.2314 GPRESSAVG: 4889600 46.2514 -11.0249 -39.3216 -13.938 3.05779 -34.6869 -36.8114 -34.2115 -23.4759 TIMING: 4889600 CPU: 14210.6, 0.00294639/step Wall: 14210.6, 0.00294639/step, 0.0903559 hours remaining, 207.761719 MB of memory in use. ENERGY: 4889600 721.5749 2116.0114 1939.9425 110.8329 -206021.7102 17684.0166 0.0000 0.0000 34313.7432 -149135.5887 299.6705 -183449.3319 -149038.5002 299.5095 -41.0710 -11.4590 557761.3527 8.6936 8.6111 PRESSURE: 4889800 -92.4609 -133.834 6.12864 -133.834 -269.682 -90.9573 6.12743 -90.958 -108.546 GPRESSURE: 4889800 -101.205 -168.755 58.7583 -175.149 -215.274 -16.1228 -6.12684 -117.888 -56.5681 PRESSAVG: 4889800 -8.86407 -5.91054 -14.7009 -5.91047 -29.4344 -3.30887 -14.7009 -3.30894 36.3691 GPRESSAVG: 4889800 -8.16338 -6.06753 -15.7474 -5.10602 -28.8119 -1.21669 -12.8223 -3.90911 35.3215 TIMING: 4889800 CPU: 14211.2, 0.00291044/step Wall: 14211.2, 0.00291044/step, 0.0890917 hours remaining, 207.761719 MB of memory in use. ENERGY: 4889800 744.4521 2057.7992 1958.3350 111.5610 -205682.2365 17489.2116 0.0000 0.0000 34240.3048 -149080.5729 299.0291 -183320.8777 -148978.1401 298.9619 -156.8961 -124.3489 558976.7075 -0.6431 -0.5513 PRESSURE: 4890000 30.0332 -103.156 37.9896 -103.155 -93.9175 122.352 37.99 122.353 -224.718 GPRESSURE: 4890000 51.8869 -58.1918 -11.784 -26.9417 -96.9587 118.991 -71.3435 90.4237 -161.404 PRESSAVG: 4890000 28.179 35.4151 -71.169 35.4151 12.977 60.3674 -71.1689 60.3675 -24.7826 GPRESSAVG: 4890000 28.1773 34.4766 -71.724 33.5987 12.1214 58.604 -72.718 62.0814 -24.036 TIMING: 4890000 CPU: 14211.8, 0.00290273/step Wall: 14211.8, 0.00290273/step, 0.0886947 hours remaining, 207.761719 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: 4890000 716.0840 2062.9474 1959.7999 119.3247 -205836.2480 17674.4073 0.0000 0.0000 34170.1655 -149133.5193 298.4166 -183303.6848 -149038.7303 299.2332 -96.2009 -68.8254 559022.3660 5.4578 5.4209 PRESSURE: 4890200 -121.703 16.5046 -79.4923 16.5054 92.2406 63.2618 -79.4931 63.2615 0.353216 GPRESSURE: 4890200 -77.453 -10.3755 -46.0691 19.3743 78.4862 108.65 -47.8578 48.457 61.7391 PRESSAVG: 4890200 6.24958 -12.2758 -43.5117 -12.2758 32.5822 -0.253647 -43.5118 -0.253692 -24.6253 GPRESSAVG: 4890200 6.6524 -12.377 -41.8871 -11.0227 33.1668 1.90614 -41.1956 -1.2011 -25.138 TIMING: 4890200 CPU: 14212.3, 0.00292532/step Wall: 14212.3, 0.00292532/step, 0.0892222 hours remaining, 207.761719 MB of memory in use. ENERGY: 4890200 744.7968 2114.6781 1974.8800 106.2162 -205805.2834 17653.3697 0.0000 0.0000 34200.6463 -149010.6964 298.6828 -183211.3427 -148914.5425 299.6766 -9.7032 20.9241 557527.3227 4.7355 4.8937 PRESSURE: 4890400 -275.535 35.4556 0.748233 35.4534 -191.369 -144.009 0.748151 -144.007 73.4957 GPRESSURE: 4890400 -242.548 22.541 -102.454 156.901 -175.083 -90.8306 -9.0033 -153.395 119.478 PRESSAVG: 4890400 -12.2949 -5.86084 -51.956 -5.86093 8.37949 -21.4821 -51.956 -21.4821 -22.6647 GPRESSAVG: 4890400 -13.3514 -4.98281 -52.4643 -3.87515 8.11021 -22.9935 -53.7676 -23.7053 -21.908 TIMING: 4890400 CPU: 14212.9, 0.00290839/step Wall: 14212.9, 0.00290839/step, 0.0885442 hours remaining, 207.761719 MB of memory in use. ENERGY: 4890400 733.9413 2052.5749 1965.2812 112.7268 -205730.2715 17558.1491 0.0000 0.0000 34174.0633 -149133.5348 298.4506 -183307.5982 -149036.9489 299.7826 -131.1360 -99.3844 558850.9028 -8.8600 -9.0497 PRESSURE: 4890600 -76.093 -57.6647 -13.9882 -57.6653 -174.918 -201.742 -13.9901 -201.743 -143.498 GPRESSURE: 4890600 -51.3517 -178.973 -19.317 54.5152 -142.118 -211.709 -89.0001 -183.772 -102.102 PRESSAVG: 4890600 -12.4479 1.99038 -23.4534 1.99043 -16.9918 5.26908 -23.4534 5.26907 36.588 GPRESSAVG: 4890600 -11.9517 0.89812 -20.4868 0.494581 -16.9436 6.06009 -22.8284 5.33692 36.4367 TIMING: 4890600 CPU: 14213.5, 0.00289939/step Wall: 14213.5, 0.00289939/step, 0.0881091 hours remaining, 207.964844 MB of memory in use. ENERGY: 4890600 717.0837 2017.5313 1960.1207 117.9336 -206048.7698 17664.8200 0.0000 0.0000 34320.3768 -149250.9037 299.7284 -183571.2805 -149149.7196 299.5690 -131.5029 -98.5240 558088.0251 2.3828 2.5138 PRESSURE: 4890800 -321.586 14.9491 143.256 14.9495 -138.349 -57.1889 143.254 -57.1879 -185.318 GPRESSURE: 4890800 -294.137 32.0252 47.9978 -63.0598 -145.226 -20.7884 113.718 -58.7351 -117.039 PRESSAVG: 4890800 23.7254 40.7774 12.7308 40.7774 -53.3124 -20.6543 12.7308 -20.6543 38.9282 GPRESSAVG: 4890800 22.4437 43.1533 8.00377 39.962 -53.2362 -20.8808 14.3608 -18.2028 40.0665 TIMING: 4890800 CPU: 14214.1, 0.00291501/step Wall: 14214.1, 0.00291501/step, 0.0884219 hours remaining, 207.964844 MB of memory in use. ENERGY: 4890800 749.9097 2086.5282 1937.5664 123.0170 -205680.8155 17357.9271 0.0000 0.0000 34222.9313 -149202.9357 298.8774 -183425.8671 -149110.1392 298.6991 -215.0842 -185.4674 558347.0402 3.1137 3.0913 PRESSURE: 4891000 31.7548 -46.5298 9.70625 -46.5288 236.373 71.1892 9.7051 71.1897 -117.935 GPRESSURE: 4891000 -13.0226 -44.317 -71.4543 -42.9513 289.914 132.439 20.3394 -34.6374 -52.9724 PRESSAVG: 4891000 -45.9179 -26.8316 -27.4173 -26.8316 48.7108 7.12446 -27.4174 7.12448 2.25129 GPRESSAVG: 4891000 -44.6375 -27.5872 -26.0316 -25.3384 48.4701 4.82076 -27.5884 6.74735 1.08053 TIMING: 4891000 CPU: 14214.7, 0.00291702/step Wall: 14214.7, 0.00291702/step, 0.0883208 hours remaining, 207.964844 MB of memory in use. ENERGY: 4891000 720.0031 2116.4588 1925.7710 122.5363 -205889.1145 17858.9490 0.0000 0.0000 34110.2005 -149035.1958 297.8929 -183145.3963 -148933.9868 299.4649 50.0643 74.6397 558588.0513 1.6814 1.6377 PRESSURE: 4891200 -176.997 88.9607 44.1836 88.9605 11.4924 -164.483 44.1847 -164.485 -169.393 GPRESSURE: 4891200 -117.578 64.0195 86.639 16.4792 13.207 -70.6941 42.1633 -160.066 -120.664 PRESSAVG: 4891200 -68.9258 1.85846 -19.7443 1.85842 4.96507 -6.40916 -19.7442 -6.40909 -1.79141 GPRESSAVG: 4891200 -69.8139 0.377883 -19.7281 0.867599 6.03218 -5.25453 -20.4518 -5.87639 -1.47662 TIMING: 4891200 CPU: 14215.3, 0.00291831/step Wall: 14215.3, 0.00291831/step, 0.0881977 hours remaining, 207.964844 MB of memory in use. ENERGY: 4891200 735.6957 2121.5336 1941.9810 129.0123 -205854.6555 17666.2608 0.0000 0.0000 34394.4814 -148865.6908 300.3756 -183260.1721 -148766.8025 300.0326 -111.6324 -75.0116 557702.0165 -21.9174 -21.7528 PRESSURE: 4891400 -166.166 132.984 18.883 132.985 22.2812 -94.0418 18.8838 -94.0401 -15.7029 GPRESSURE: 4891400 -151.735 112.252 47.9204 103.945 61.0736 -90.3532 -41.2061 -132.832 14.1937 PRESSAVG: 4891400 -74.9049 52.9567 -43.0642 52.9567 17.9486 14.2872 -43.0643 14.287 70.7004 GPRESSAVG: 4891400 -73.755 53.5215 -43.2294 53.5895 17.1718 15.0022 -42.4707 12.3436 70.1567 TIMING: 4891400 CPU: 14215.8, 0.00293249/step Wall: 14215.8, 0.00293249/step, 0.0884635 hours remaining, 207.964844 MB of memory in use. ENERGY: 4891400 765.7300 2082.5464 1926.5494 105.6330 -205886.5859 17782.0931 0.0000 0.0000 34307.4423 -148916.5916 299.6154 -183224.0339 -148817.8612 299.7914 -53.1959 -25.4891 558446.9470 4.5813 4.5245 PRESSURE: 4891600 -362.611 81.5048 -10.8594 81.5055 4.19229 133.185 -10.8593 133.186 -283.667 GPRESSURE: 4891600 -335.703 14.405 31.9573 163.691 27.2643 112.234 -84.3557 83.2863 -226.642 PRESSAVG: 4891600 -36.0565 15.8183 6.69764 15.8182 49.6372 -24.2446 6.69759 -24.2446 16.1402 GPRESSAVG: 4891600 -36.3753 15.3137 6.82046 16.7076 49.4203 -25.4618 7.50813 -23.1964 16.808 TIMING: 4891600 CPU: 14216.4, 0.0029141/step Wall: 14216.4, 0.0029141/step, 0.0877468 hours remaining, 207.964844 MB of memory in use. ENERGY: 4891600 770.1436 2057.2549 1936.2897 105.5891 -205796.7798 17540.4207 0.0000 0.0000 34302.7942 -149084.2877 299.5748 -183387.0818 -148986.8603 300.0910 -214.0287 -178.3602 557431.0669 9.9070 9.9510 PRESSURE: 4891800 -42.4404 267.828 -86.7715 267.829 -64.8566 -48.4652 -86.7709 -48.4644 74.386 GPRESSURE: 4891800 -22.7412 290.655 -117.182 248.679 -50.9225 -167.99 -14.3746 12.6212 116.293 PRESSAVG: 4891800 -7.58314 83.2636 50.8814 83.2635 28.2311 -23.7804 50.8814 -23.7804 -6.91448 GPRESSAVG: 4891800 -7.4864 83.9334 51.8046 82.5273 28.6527 -20.4633 47.9871 -24.2204 -8.03713 TIMING: 4891800 CPU: 14217, 0.00294603/step Wall: 14217, 0.00294603/step, 0.0885446 hours remaining, 207.964844 MB of memory in use. ENERGY: 4891800 763.6065 2083.2720 1943.3978 119.8637 -206129.8317 17682.9069 0.0000 0.0000 34391.2136 -149145.5713 300.3470 -183536.7849 -149047.5701 299.8499 -10.9703 14.2097 556983.2694 4.5778 4.3764 PRESSURE: 4892000 27.62 79.2617 -71.1012 79.2609 -105.071 -33.278 -71.1024 -33.2783 23.0684 GPRESSURE: 4892000 102.657 62.9553 -27.0447 100.066 -165.35 44.3173 -176.102 -63.741 102.53 PRESSAVG: 4892000 54.4568 89.4836 -3.70577 89.4835 15.6706 29.4961 -3.70575 29.4961 -103.942 GPRESSAVG: 4892000 54.1579 89.3659 -3.17533 88.2675 15.5305 27.9673 -2.78687 28.6633 -104.089 TIMING: 4892000 CPU: 14217.6, 0.00295519/step Wall: 14217.6, 0.00295519/step, 0.0886557 hours remaining, 207.964844 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: 4892000 727.2465 2152.0396 1948.6534 115.4030 -205994.1405 17687.2819 0.0000 0.0000 34200.7861 -149162.7300 298.6840 -183363.5161 -149065.7057 299.0127 -18.1276 13.2791 557338.8791 -11.2715 -11.4668 PRESSURE: 4892200 -160.333 157.16 -206.019 157.161 205.295 34.0165 -206.02 34.0168 -137.738 GPRESSURE: 4892200 -177.212 185.764 -126.375 134.93 226.183 -74.254 -284.677 52.3318 -53.948 PRESSAVG: 4892200 0.143118 27.1794 -64.5332 27.1794 -43.7048 49.3505 -64.5333 49.3505 51.4669 GPRESSAVG: 4892200 -1.17356 26.4541 -64.2461 27.6673 -44.1209 48.2127 -64.2237 50.7814 52.8918 TIMING: 4892200 CPU: 14218.2, 0.00295796/step Wall: 14218.2, 0.00295796/step, 0.0885744 hours remaining, 207.964844 MB of memory in use. ENERGY: 4892200 735.3447 2115.1200 1953.9350 106.0324 -206119.5322 17779.8568 0.0000 0.0000 34332.9519 -149096.2913 299.8382 -183429.2432 -148999.4218 299.7195 -30.9252 -1.6590 559157.7675 2.6351 2.5325 LDB: ============= START OF LOAD BALANCING ============== 14221.7 LDB: ============== END OF LOAD BALANCING =============== 14221.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14221.7 LDB: ============= START OF LOAD BALANCING ============== 14222 LDB: Largest compute 4848 load 0.031790 is 27.0% of average load 0.117911 LDB: Average compute 0.001733 is 1.5% of average load 0.117911 LDB: TIME 14222 LOAD: AVG 0.117911 MAX 0.189763 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.102 MB LDB: TIME 14222 LOAD: AVG 0.117911 MAX 0.189763 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: TIME 14222 LOAD: AVG 0.117911 MAX 0.189763 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.148 MB LDB: ============== END OF LOAD BALANCING =============== 14222 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14222 PRESSURE: 4892400 -164.608 54.2304 -1.41549 54.2312 25.0404 21.889 -1.41596 21.8878 -61.522 GPRESSURE: 4892400 -147.058 98.8213 -50.1 27.2873 125.365 45.2309 20.6314 49.5204 -87.4382 PRESSAVG: 4892400 22.4107 0.935869 -46.3161 0.935854 -23.4046 32.7923 -46.3161 32.7922 4.26916 GPRESSAVG: 4892400 23.7125 0.514365 -46.2448 1.1079 -23.7248 34.3438 -47.4648 31.4889 3.73403 TIMING: 4892400 CPU: 14218.8, 0.00299643/step Wall: 14218.8, 0.00299643/step, 0.0895599 hours remaining, 207.414062 MB of memory in use. ENERGY: 4892400 756.9433 2116.5564 1981.8151 113.3576 -205973.1636 17696.3186 0.0000 0.0000 34303.9282 -149004.2444 299.5847 -183308.1726 -148899.6781 299.3809 -67.0298 -36.3771 557075.0826 1.0917 1.2406 PRESSURE: 4892600 -82.659 72.7995 19.7333 72.7992 -168.834 146.356 19.7333 146.357 -250.913 GPRESSURE: 4892600 -56.605 26.0151 76.7589 94.5843 -179.821 199.034 -78.9899 66.1158 -193.538 PRESSAVG: 4892600 -2.52351 -17.4929 70.5185 -17.4928 -39.5509 -25.1016 70.5183 -25.1016 39.0232 GPRESSAVG: 4892600 -3.52477 -16.9817 70.9226 -17.7832 -39.4399 -24.8823 72.4056 -25.4904 39.5709 TIMING: 4892600 CPU: 14219.4, 0.00292708/step Wall: 14219.4, 0.00292708/step, 0.0873245 hours remaining, 207.414062 MB of memory in use. ENERGY: 4892600 752.8682 2092.2701 1967.8656 96.9750 -206130.7544 17790.7369 0.0000 0.0000 34304.2022 -149125.8364 299.5871 -183430.0386 -149022.9675 300.1684 -167.4686 -143.3212 558947.2766 -1.0171 -1.1313 PRESSURE: 4892800 147.438 -27.7179 -138.878 -27.7178 246.426 -107.609 -138.877 -107.608 -55.4391 GPRESSURE: 4892800 204.266 -68.3721 -208.845 -87.7796 248.028 -140.926 46.4938 -89.2547 -25.8747 PRESSAVG: 4892800 -47.907 -31.9588 18.7706 -31.9588 6.28291 -30.3588 18.7706 -30.3588 24.6144 GPRESSAVG: 4892800 -47.9858 -31.0845 18.2521 -32.1035 6.56678 -34.4289 18.5292 -28.8951 24.0823 TIMING: 4892800 CPU: 14220, 0.00291422/step Wall: 14220, 0.00291422/step, 0.086779 hours remaining, 207.414062 MB of memory in use. ENERGY: 4892800 766.9612 2112.2415 1951.7284 109.9089 -207075.5666 18298.9860 0.0000 0.0000 34498.9508 -149336.7899 301.2879 -183835.7407 -149236.6365 300.0576 112.8084 142.1396 558223.4227 -5.6699 -5.7789 PRESSURE: 4893000 -273.379 -164.448 -207.972 -164.447 -320.121 104.243 -207.971 104.242 -33.7716 GPRESSURE: 4893000 -297.131 -173.805 -191.611 -88.8185 -262.395 145.305 -255.401 132.395 32.3317 PRESSAVG: 4893000 42.5218 -29.0922 2.43404 -29.0922 -23.7305 -60.5856 2.43406 -60.5855 -21.7162 GPRESSAVG: 4893000 41.799 -29.7672 3.37385 -27.4957 -24.5341 -57.0276 0.704178 -60.2461 -20.6173 TIMING: 4893000 CPU: 14220.5, 0.00290965/step Wall: 14220.5, 0.00290965/step, 0.0864812 hours remaining, 207.414062 MB of memory in use. ENERGY: 4893000 786.5139 2122.1472 1982.4808 114.2496 -205829.5716 17540.1406 0.0000 0.0000 34142.0979 -149141.9416 298.1714 -183284.0395 -149046.2033 299.1717 -209.0903 -175.7315 557898.2248 -0.9750 -1.1174 PRESSURE: 4893200 -126.377 -85.8545 49.7736 -85.8548 -137.864 108.328 49.7736 108.328 -176.033 GPRESSURE: 4893200 -70.7528 -42.2008 -64.583 -120.752 -124.843 130.131 35.8286 142.162 -158.414 PRESSAVG: 4893200 -37.91 -37.5795 -36.5383 -37.5796 18.6866 -4.43529 -36.5384 -4.43524 23.7545 GPRESSAVG: 4893200 -37.432 -36.6007 -36.3181 -37.658 18.6895 -4.06962 -34.4564 -6.00119 23.0105 TIMING: 4893200 CPU: 14221.1, 0.0029051/step Wall: 14221.1, 0.0029051/step, 0.0861846 hours remaining, 207.414062 MB of memory in use. ENERGY: 4893200 748.2285 2131.7145 1974.7453 115.3990 -206007.4726 17525.5012 0.0000 0.0000 34493.3934 -149018.4907 301.2394 -183511.8841 -148912.4368 299.5649 -146.7579 -118.0032 558336.9759 1.5104 1.4227 PRESSURE: 4893400 1.09477 8.16208 64.4878 8.16196 -258.604 103.545 64.4885 103.545 -195.049 GPRESSURE: 4893400 70.9783 -19.4313 142.29 0.0952034 -222.884 122.474 27.598 82.1092 -197.994 PRESSAVG: 4893400 -21.869 -10.7371 34.8729 -10.7372 39.7279 38.8411 34.8729 38.8411 0.385528 GPRESSAVG: 4893400 -21.5197 -9.77733 35.1076 -12.6983 40.0854 36.6452 32.9654 39.7191 -0.267118 TIMING: 4893400 CPU: 14221.7, 0.00292557/step Wall: 14221.7, 0.00292557/step, 0.0866293 hours remaining, 207.414062 MB of memory in use. ENERGY: 4893400 789.7885 2172.0900 1972.7079 114.4443 -206376.8386 17721.0930 0.0000 0.0000 34567.4233 -149039.2917 301.8859 -183606.7150 -148940.9436 299.9292 -150.8528 -116.6334 557861.5530 6.0815 6.0995 PRESSURE: 4893600 -422.816 -196.176 42.6094 -196.176 -154.753 16.515 42.6099 16.5157 -249.086 GPRESSURE: 4893600 -380.958 -207.377 56.0875 -54.2076 -168.42 72.4066 20.3596 7.91707 -185.053 PRESSAVG: 4893600 -58.3252 -8.60832 -29.4167 -8.60836 21.0499 17.8025 -29.4166 17.8027 64.0396 GPRESSAVG: 4893600 -58.9954 -9.88664 -31.3832 -8.27671 21.2775 17.8158 -28.6452 17.3309 64.2004 TIMING: 4893600 CPU: 14222.3, 0.00292859/step Wall: 14222.3, 0.00292859/step, 0.0865562 hours remaining, 207.414062 MB of memory in use. ENERGY: 4893600 771.5249 2189.6278 1967.8439 120.1999 -205810.8528 17392.9328 0.0000 0.0000 34298.3759 -149070.3477 299.5362 -183368.7236 -148976.5363 299.9318 -275.5515 -244.8100 559244.5827 8.9214 8.8275 PRESSURE: 4893800 64.8485 6.74155 -66.4478 6.74094 -169.165 11.9302 -66.4468 11.9302 -17.7474 GPRESSURE: 4893800 73.0579 -2.85835 -62.6171 4.97907 -175.349 13.4992 -2.02014 49.7397 85.3067 PRESSAVG: 4893800 -35.6278 8.40867 13.294 8.40857 84.5211 29.7483 13.2939 29.7483 -46.5096 GPRESSAVG: 4893800 -37.5115 7.97852 14.0776 10.3871 84.8534 30.4857 11.8502 30.3259 -45.5661 TIMING: 4893800 CPU: 14222.9, 0.00289896/step Wall: 14222.9, 0.00289896/step, 0.0855194 hours remaining, 207.414062 MB of memory in use. ENERGY: 4893800 784.5396 2099.1681 1986.4296 100.0003 -206313.9805 17957.6643 0.0000 0.0000 34154.5566 -149231.6220 298.2802 -183386.1786 -149132.1329 299.8218 -40.6881 -5.6614 556720.3265 0.7946 0.5919 PRESSURE: 4894000 -398.358 -0.0529856 209.655 -0.0530071 -149.657 -41.2414 209.656 -41.2435 -246.94 GPRESSURE: 4894000 -384.715 -105.178 168.342 35.9474 -99.3995 -110.159 177.937 -48.1887 -219.582 PRESSAVG: 4894000 -26.3926 57.1109 40.5599 57.111 7.34812 -3.83884 40.5599 -3.83884 26.9621 GPRESSAVG: 4894000 -24.766 55.2803 39.8846 55.1671 6.77576 -4.09484 40.1828 -3.39888 26.7771 TIMING: 4894000 CPU: 14223.5, 0.00288915/step Wall: 14223.5, 0.00288915/step, 0.0850694 hours remaining, 207.414062 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: 4894000 711.3487 2145.9468 1983.7991 107.2134 -205977.3450 17511.1108 0.0000 0.0000 34346.3027 -149171.6236 299.9548 -183517.9262 -149076.9775 299.2821 -264.9848 -234.5655 557041.8962 2.6392 2.9290 PRESSURE: 4894200 -158.458 150.555 214.738 150.556 -69.0551 -100.618 214.738 -100.616 26.1241 GPRESSURE: 4894200 -92.9787 70.2566 192.498 156.98 -40.1077 -85.1197 278.099 -88.7639 21.8747 PRESSAVG: 4894200 -62.0453 42.3773 30.4701 42.3773 53.208 -6.96207 30.4702 -6.962 -24.3283 GPRESSAVG: 4894200 -61.4754 45.0463 28.3567 43.3979 52.621 -4.03533 33.3018 -9.05312 -24.8528 TIMING: 4894200 CPU: 14224, 0.00290492/step Wall: 14224, 0.00290492/step, 0.0853725 hours remaining, 207.414062 MB of memory in use. ENERGY: 4894200 705.2152 2076.9589 1957.1364 112.7811 -206119.7004 17665.5997 0.0000 0.0000 34250.9088 -149351.1002 299.1217 -183602.0090 -149246.3689 299.7999 -67.1297 -37.0706 557940.8791 -11.0552 -11.2357 PRESSURE: 4894400 -173.718 -134.786 183.949 -134.785 -64.5823 93.3245 183.948 93.3253 -114.251 GPRESSURE: 4894400 -124.617 -193.279 150.237 -66.7783 -21.7581 113.231 259.809 78.5848 -97.6296 PRESSAVG: 4894400 77.3722 -14.0646 1.07498 -14.0646 -32.1102 -46.3511 1.07495 -46.351 -9.50532 GPRESSAVG: 4894400 76.1597 -15.3815 3.6223 -16.0865 -31.2963 -50.4104 -0.00791566 -44.751 -9.26906 TIMING: 4894400 CPU: 14224.6, 0.00291776/step Wall: 14224.6, 0.00291776/step, 0.0855876 hours remaining, 207.414062 MB of memory in use. ENERGY: 4894400 758.7252 2088.7119 1948.0982 119.4811 -206329.4512 17672.2999 0.0000 0.0000 34312.8589 -149429.2759 299.6627 -183742.1348 -149334.6486 299.0064 -117.5173 -81.3348 558358.2416 11.9189 11.8648 PRESSURE: 4894600 61.4129 95.1157 233.176 95.1147 111.99 335.165 233.176 335.165 206.716 GPRESSURE: 4894600 118.033 186.978 249.515 0.665843 77.9175 258.889 260.665 451.434 284.468 PRESSAVG: 4894600 -9.28513 16.0041 25.7946 16.0041 23.6142 -34.9007 25.7946 -34.9006 -3.47525 GPRESSAVG: 4894600 -7.73649 14.6613 24.7628 16.4509 22.1596 -32.8842 26.5646 -36.0534 -3.45715 TIMING: 4894600 CPU: 14225.2, 0.00292883/step Wall: 14225.2, 0.00292883/step, 0.0857496 hours remaining, 207.414062 MB of memory in use. ENERGY: 4894600 716.2038 2093.5385 1978.0041 113.2203 -207137.4039 18343.8010 0.0000 0.0000 34308.8497 -149583.7865 299.6277 -183892.6361 -149490.5576 298.4729 126.7060 160.1395 557399.3708 3.6179 3.6553 PRESSURE: 4894800 -216.629 -125.064 62.9727 -125.063 -220.165 32.1566 62.9723 32.1563 0.621984 GPRESSURE: 4894800 -134.31 -127.069 30.3275 -96.0868 -189.25 67.0962 143.505 54.9629 -10.5485 PRESSAVG: 4894800 27.0693 14.9208 74.1974 14.9208 12.4833 30.4408 74.1974 30.4408 -19.3132 GPRESSAVG: 4894800 26.1848 15.6133 73.1115 14.524 13.3194 31.2135 76.5986 30.7334 -19.5898 TIMING: 4894800 CPU: 14225.8, 0.00293459/step Wall: 14225.8, 0.00293459/step, 0.0857553 hours remaining, 207.414062 MB of memory in use. ENERGY: 4894800 788.1428 2122.6204 1980.0835 109.2259 -206733.3167 17961.5720 0.0000 0.0000 34054.7255 -149716.9465 297.4084 -183771.6720 -149618.7756 297.5859 -145.3910 -111.3693 558586.5476 6.7465 6.6381 PRESSURE: 4895000 -198.268 111.443 -103.94 111.444 -143.513 35.6538 -103.94 35.6548 4.31966 GPRESSURE: 4895000 -167.896 160.461 -250.808 59.1544 -41.2248 -39.5363 17.569 60.1168 -23.3724 PRESSAVG: 4895000 -33.7501 17.3377 21.7947 17.3377 51.8666 -9.91392 21.7947 -9.91385 -38.9257 GPRESSAVG: 4895000 -33.1503 17.7416 25.0775 17.1149 52.1476 -8.52687 20.1046 -11.5305 -39.9042 TIMING: 4895000 CPU: 14226.4, 0.00292901/step Wall: 14226.4, 0.00292901/step, 0.0854294 hours remaining, 207.414062 MB of memory in use. ENERGY: 4895000 735.6320 2065.6418 1989.5822 106.8530 -206143.8180 17579.2536 0.0000 0.0000 34055.5738 -149611.2816 297.4158 -183666.8554 -149503.0920 297.9598 -112.4871 -77.4978 557093.3640 -6.9364 -6.9690 PRESSURE: 4895200 -169.205 52.1911 -111.639 52.1921 23.2362 -128.106 -111.64 -128.106 -3.86745 GPRESSURE: 4895200 -114.009 -1.95989 -142.712 39.0396 31.4495 7.93369 -66.5386 -95.3383 39.0463 PRESSAVG: 4895200 -18.0706 -10.1043 -33.1629 -10.1042 36.9131 14.726 -33.1629 14.7259 0.040324 GPRESSAVG: 4895200 -18.6463 -8.99549 -35.1713 -11.2177 37.3735 13.4421 -35.2136 16.7505 0.130782 TIMING: 4895200 CPU: 14227, 0.00291862/step Wall: 14227, 0.00291862/step, 0.0849644 hours remaining, 207.414062 MB of memory in use. ENERGY: 4895200 769.7276 2089.7475 1953.2026 111.5949 -206507.3661 17688.3552 0.0000 0.0000 34471.0472 -149423.6912 301.0442 -183894.7384 -149328.9403 298.9241 -49.9453 -14.5044 556289.3602 6.2943 6.2860 PRESSURE: 4895400 22.8443 174.062 -59.0675 174.062 -410.769 -223.222 -59.0684 -223.223 -47.8795 GPRESSURE: 4895400 19.6163 95.2438 -18.9124 199.417 -336.832 -268.54 -25.7515 -161.807 -36.6637 PRESSAVG: 4895400 72.1011 75.95 32.8722 75.95 -29.273 -27.813 32.8722 -27.8131 -69.8867 GPRESSAVG: 4895400 73.0641 74.5776 33.4328 78.2954 -29.6965 -29.5928 33.1369 -28.6427 -70.3547 TIMING: 4895400 CPU: 14227.5, 0.00289438/step Wall: 14227.5, 0.00289438/step, 0.0840977 hours remaining, 207.472656 MB of memory in use. ENERGY: 4895400 744.9128 2083.7842 1994.3908 117.2866 -206245.3425 17564.5201 0.0000 0.0000 34244.4471 -149496.0009 299.0653 -183740.4481 -149406.3022 298.9815 -145.2680 -117.9598 557813.0923 -9.0195 -8.9957 PRESSURE: 4895600 23.6461 27.0093 50.953 27.0103 39.4548 -32.1982 50.954 -32.1977 -237.562 GPRESSURE: 4895600 51.9603 26.0081 64.5061 2.22722 90.1234 -102.144 32.6126 83.0111 -226.611 PRESSAVG: 4895600 83.4969 68.5906 57.6427 68.5905 -83.7165 -8.47758 57.6427 -8.47747 31.7739 GPRESSAVG: 4895600 83.2796 70.6891 58.4921 67.6715 -84.2344 -8.80064 57.4483 -5.70613 32.6191 TIMING: 4895600 CPU: 14228.1, 0.00290042/step Wall: 14228.1, 0.00290042/step, 0.0841122 hours remaining, 207.472656 MB of memory in use. ENERGY: 4895600 713.8036 2063.5073 1931.9059 121.5960 -206365.8979 17626.5510 0.0000 0.0000 34304.4553 -149604.0789 299.5893 -183908.5342 -149507.9294 298.6853 -58.1536 -28.1759 555466.8280 10.5181 10.5548 PRESSURE: 4895800 -349.951 -21.9188 -49.6028 -21.9187 -508.583 214.536 -49.603 214.535 -179.877 GPRESSURE: 4895800 -374.77 -9.61628 37.5945 67.4545 -389.748 193.885 -86.5055 179.607 -174.129 PRESSAVG: 4895800 46.0771 24.9153 -9.78294 24.9154 22.1689 -25.866 -9.78292 -25.8661 -67.3921 GPRESSAVG: 4895800 45.7061 23.0605 -9.58786 25.7278 22.2748 -26.2316 -10.0699 -26.0362 -67.0483 TIMING: 4895800 CPU: 14228.7, 0.0029084/step Wall: 14228.7, 0.0029084/step, 0.0841819 hours remaining, 207.472656 MB of memory in use. ENERGY: 4895800 754.3190 2083.8768 1958.4674 108.5534 -205874.4829 17251.4957 0.0000 0.0000 34065.5751 -149652.1955 297.5031 -183717.7706 -149554.8716 297.9629 -346.1371 -312.8824 557421.2937 0.2846 0.3109 PRESSURE: 4896000 -22.8707 35.9775 33.0726 35.9763 226.442 67.2518 33.0717 67.2498 -142.599 GPRESSURE: 4896000 38.6839 -7.96832 103.062 46.5466 265.282 -20.2135 4.94284 22.1106 -147.996 PRESSAVG: 4896000 -21.1251 -40.6039 1.7816 -40.6039 48.9386 -11.5442 1.7816 -11.5443 -3.32113 GPRESSAVG: 4896000 -21.2192 -40.332 0.933146 -40.1316 49.3867 -11.9327 2.75557 -12.9575 -3.055 TIMING: 4896000 CPU: 14229.3, 0.00290676/step Wall: 14229.3, 0.00290676/step, 0.083973 hours remaining, 207.472656 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: 4896000 750.4023 2061.1830 1960.3261 99.4535 -206464.3428 17812.0872 0.0000 0.0000 34048.7318 -149732.1588 297.3560 -183780.8906 -149637.6865 298.1876 20.3241 51.9897 555656.9540 8.1641 8.3708 PRESSURE: 4896200 -336.264 -157.041 135.297 -157.042 -494.951 -6.43403 135.296 -6.43364 -410.584 GPRESSURE: 4896200 -311.237 -58.134 65.7055 -155.421 -476.631 -42.7905 157.155 -45.4582 -370.236 PRESSAVG: 4896200 -7.4833 15.3281 75.711 15.3281 27.9563 2.41643 75.7111 2.41639 1.43794 GPRESSAVG: 4896200 -7.50842 16.8504 76.0685 12.8527 27.3988 2.97168 73.6201 0.643224 1.90386 TIMING: 4896200 CPU: 14229.9, 0.00291776/step Wall: 14229.9, 0.00291776/step, 0.0841289 hours remaining, 207.472656 MB of memory in use. ENERGY: 4896200 760.4924 2069.6795 1986.7287 111.8971 -205929.9874 17167.4452 0.0000 0.0000 34292.5708 -149541.1737 299.4856 -183833.7446 -149443.0007 298.1070 -413.9330 -386.0347 556254.4861 7.3036 7.2648 LDB: ============= START OF LOAD BALANCING ============== 14233.3 LDB: ============== END OF LOAD BALANCING =============== 14233.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14233.3 LDB: ============= START OF LOAD BALANCING ============== 14233.6 LDB: Largest compute 4848 load 0.031496 is 26.7% of average load 0.117829 LDB: Average compute 0.001735 is 1.5% of average load 0.117829 LDB: TIME 14233.6 LOAD: AVG 0.117829 MAX 0.190561 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 14233.6 LOAD: AVG 0.117829 MAX 0.190561 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: TIME 14233.6 LOAD: AVG 0.117829 MAX 0.190561 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.039 MB LDB: ============== END OF LOAD BALANCING =============== 14233.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14233.6 PRESSURE: 4896400 -175.677 -41.4253 -20.6122 -41.4248 86.4042 -63.8247 -20.6131 -63.8246 59.1849 GPRESSURE: 4896400 -140.974 -29.3492 -20.0157 -21.4423 127.216 5.55549 -88.1449 -99.4692 72.533 PRESSAVG: 4896400 -55.9079 9.09742 -17.307 9.09741 81.0499 17.1725 -17.307 17.1726 -49.0017 GPRESSAVG: 4896400 -54.7363 7.51334 -18.5017 13.0082 81.002 17.85 -15.8952 18.5005 -49.6108 TIMING: 4896400 CPU: 14230.5, 0.00299856/step Wall: 14230.5, 0.00299856/step, 0.0862918 hours remaining, 208.125000 MB of memory in use. ENERGY: 4896400 730.7063 2084.8821 1936.8908 114.8365 -206562.6915 17852.9847 0.0000 0.0000 34357.9814 -149484.4096 300.0568 -183842.3910 -149375.4581 299.0805 -10.0294 19.5915 557088.1668 -7.9532 -7.7817 PRESSURE: 4896600 -44.0698 -36.4186 -69.8556 -36.4195 101.704 -22.1341 -69.8547 -22.1331 -140.935 GPRESSURE: 4896600 -44.2881 -84.1577 -72.6099 6.15764 119.209 -23.1153 13.4242 19.1538 -59.7336 PRESSAVG: 4896600 -52.2243 -47.0657 -38.5247 -47.0658 59.8455 -29.3715 -38.5247 -29.3714 -3.37631 GPRESSAVG: 4896600 -52.3829 -45.9903 -36.166 -49.8951 60.7328 -28.5716 -38.1891 -27.1607 -4.01515 TIMING: 4896600 CPU: 14231.1, 0.00295418/step Wall: 14231.1, 0.00295418/step, 0.0848507 hours remaining, 208.851562 MB of memory in use. ENERGY: 4896600 743.3968 2077.6867 1961.9539 119.4694 -206132.9825 17859.6201 0.0000 0.0000 33935.2301 -149435.6256 296.3648 -183370.8556 -149336.8920 298.2813 -27.7671 5.0624 557566.2668 1.4150 1.4449 PRESSURE: 4896800 -162.445 -8.89524 148.171 -8.89618 -133.898 122.898 148.173 122.899 -230.032 GPRESSURE: 4896800 -96.5059 -0.0950812 195.105 -50.0001 -143.483 127.988 124.207 147.013 -185.354 PRESSAVG: 4896800 18.4986 -5.84613 -13.2583 -5.84617 2.6123 -16.3683 -13.2583 -16.3684 -9.04388 GPRESSAVG: 4896800 18.5856 -3.93716 -14.342 -5.51911 2.29785 -16.3157 -12.7893 -17.0803 -8.37589 TIMING: 4896800 CPU: 14231.6, 0.00290374/step Wall: 14231.6, 0.00290374/step, 0.0832405 hours remaining, 208.851562 MB of memory in use. ENERGY: 4896800 788.3959 2137.0188 1949.5741 107.0552 -206107.2244 17619.1991 0.0000 0.0000 34178.6462 -149327.3352 298.4906 -183505.9813 -149237.5103 298.2368 -175.4583 -141.7811 556705.7248 4.0223 4.1692 PRESSURE: 4897000 -157.779 -71.289 221.355 -71.2884 -200.702 -173.337 221.355 -173.337 271.264 GPRESSURE: 4897000 -149.757 -145.109 239.011 126.456 -156.77 -131.847 202.315 -186.282 303.804 PRESSAVG: 4897000 -34.2081 -4.62271 55.6547 -4.62272 -28.6549 -11.58 55.6547 -11.5801 -1.44008 GPRESSAVG: 4897000 -35.3211 -6.56612 53.5447 -4.8398 -27.7595 -12.8653 56.5237 -9.63314 -1.13843 TIMING: 4897000 CPU: 14232.2, 0.00292631/step Wall: 14232.2, 0.00292631/step, 0.0837249 hours remaining, 208.851562 MB of memory in use. ENERGY: 4897000 760.7239 2111.1048 1957.5667 108.1700 -206369.4136 17881.8869 0.0000 0.0000 34230.8806 -149319.0806 298.9468 -183549.9612 -149219.8851 298.9758 -29.0725 -0.9079 556632.9089 -21.4344 -21.4063 PRESSURE: 4897200 259.94 -68.926 -36.1524 -68.9262 -182.26 -24.0251 -36.1519 -24.0247 112.911 GPRESSURE: 4897200 270.206 -52.8161 -62.8537 -48.8084 -100.439 -42.5969 -96.4094 -22.3714 133.147 PRESSAVG: 4897200 -0.0306844 -38.9384 48.212 -38.9384 -36.8313 -10.3506 48.2119 -10.3505 43.0863 GPRESSAVG: 4897200 0.361622 -37.9255 49.7445 -36.5429 -38.9504 -10.3122 46.1187 -11.8496 44.7379 TIMING: 4897200 CPU: 14232.8, 0.002948/step Wall: 14232.8, 0.002948/step, 0.0841819 hours remaining, 208.851562 MB of memory in use. ENERGY: 4897200 752.5546 2136.2441 1957.4539 122.4714 -206670.4929 18015.8006 0.0000 0.0000 34259.8950 -149426.0733 299.2002 -183685.9684 -149329.2603 299.4291 63.5305 100.9714 557442.8041 2.0748 2.0497 PRESSURE: 4897400 76.0293 15.2474 67.5663 15.2472 215.214 20.8536 67.5657 20.8535 62.2736 GPRESSURE: 4897400 94.8844 -69.4841 5.91975 -46.5215 223.677 78.7542 65.5437 -99.8591 131.861 PRESSAVG: 4897400 21.0864 -1.30112 -13.656 -1.30097 57.2001 -13.6244 -13.656 -13.6244 -28.037 GPRESSAVG: 4897400 20.8154 -2.23256 -14.1386 -3.20266 57.4732 -11.7126 -13.0042 -15.9484 -27.5593 TIMING: 4897400 CPU: 14233.4, 0.00294305/step Wall: 14233.4, 0.00294306/step, 0.0838771 hours remaining, 208.851562 MB of memory in use. ENERGY: 4897400 755.0924 2098.6076 1969.2211 112.5241 -206840.1488 18232.7570 0.0000 0.0000 34234.2539 -149437.6925 298.9763 -183671.9465 -149342.5563 298.5351 117.8391 150.1407 558901.4935 16.7498 16.9098 PRESSURE: 4897600 -105.729 -0.101691 38.6577 -0.101389 88.5937 28.4961 38.6585 28.4947 97.0475 GPRESSURE: 4897600 -98.0897 -15.7958 -11.0823 -33.3167 148.065 -83.8487 84.2172 103.073 135.426 PRESSAVG: 4897600 0.0584355 4.86271 25.2009 4.86272 4.20587 -56.455 25.2009 -56.455 10.7908 GPRESSAVG: 4897600 0.841272 5.01111 26.9464 4.36941 5.38352 -58.2436 24.2952 -53.6213 8.66025 TIMING: 4897600 CPU: 14234, 0.00291472/step Wall: 14234, 0.00291472/step, 0.0829075 hours remaining, 208.851562 MB of memory in use. ENERGY: 4897600 711.9653 2087.0802 1942.8771 120.7804 -206211.8552 17773.7104 0.0000 0.0000 34067.5024 -149507.9392 297.5200 -183575.4417 -149422.4450 297.8651 26.6375 61.8005 557910.0834 5.0184 4.9617 PRESSURE: 4897800 -179.682 42.9219 86.9281 42.9236 -12.2872 -39.5799 86.927 -39.5806 309.34 GPRESSURE: 4897800 -125.012 70.4379 155.843 21.7548 34.1178 -94.4445 117.315 -6.43426 302.128 PRESSAVG: 4897800 -44.4728 23.3757 28.2713 23.3757 24.4468 49.4434 28.2713 49.4432 17.6772 GPRESSAVG: 4897800 -44.67 26.121 28.5263 23.5521 23.8717 48.9446 27.11 48.8361 18.6268 TIMING: 4897800 CPU: 14234.6, 0.00290056/step Wall: 14234.6, 0.00290056/step, 0.0823438 hours remaining, 208.851562 MB of memory in use. ENERGY: 4897800 754.0005 2102.2313 1990.5369 116.1317 -206538.5683 17943.5774 0.0000 0.0000 34141.1335 -149490.9570 298.1630 -183632.0905 -149391.2326 298.9980 39.1236 70.4112 557137.7898 -0.7829 -0.7238 PRESSURE: 4898000 -19.8665 -65.1609 -49.5259 -65.1617 129.228 99.3506 -49.5269 99.3494 -128.214 GPRESSURE: 4898000 -27.3615 20.7572 -46.5517 -102.778 163.277 115.42 -72.0553 75.9649 -56.2116 PRESSAVG: 4898000 -42.0491 -4.40935 -11.7419 -4.40939 47.1693 8.91238 -11.7419 8.91225 16.2645 GPRESSAVG: 4898000 -42.2524 -6.78387 -13.0061 -3.39427 47.4996 8.62224 -9.76171 9.72164 16.4189 TIMING: 4898000 CPU: 14235.1, 0.00287294/step Wall: 14235.1, 0.00287294/step, 0.0814 hours remaining, 208.851562 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: 4898000 797.4368 2094.4498 1968.0471 100.8670 -206479.2863 17902.5230 0.0000 0.0000 34112.1617 -149503.8009 297.9100 -183615.9626 -149411.2872 298.3536 -6.2842 26.5681 557356.5438 7.1282 7.2220 PRESSURE: 4898200 46.9789 -198.354 96.7365 -198.355 16.382 76.6398 96.7364 76.6398 -96.4102 GPRESSURE: 4898200 58.2891 -90.6465 30.8406 -245.131 65.5845 -31.5833 58.2186 189.262 -75.6887 PRESSAVG: 4898200 -18.9484 -37.3704 25.5541 -37.3704 38.0043 -16.9158 25.5541 -16.9157 -36.4197 GPRESSAVG: 4898200 -18.5278 -38.4905 26.1947 -38.4161 37.6612 -17.1644 25.8087 -17.6016 -36.7213 TIMING: 4898200 CPU: 14235.7, 0.00289091/step Wall: 14235.7, 0.00289091/step, 0.0817486 hours remaining, 208.851562 MB of memory in use. ENERGY: 4898200 742.6573 2059.4912 1919.7943 105.2951 -206374.8792 17786.8836 0.0000 0.0000 34217.3125 -149543.4452 298.8283 -183760.7577 -149453.7773 298.5842 -11.0164 16.0616 556667.7356 -5.7879 -5.8626 PRESSURE: 4898400 -176.983 9.28688 -168.152 9.28637 167.258 -251.447 -168.152 -251.447 -290.497 GPRESSURE: 4898400 -166.376 -64.8703 -116.875 -37.805 228.886 -260.75 -227.581 -205.417 -260.024 PRESSAVG: 4898400 60.8728 11.2929 -61.1038 11.2929 31.7229 -0.887729 -61.1038 -0.887735 -63.7902 GPRESSAVG: 4898400 60.8096 12.5619 -61.4431 10.7888 32.6782 1.73656 -60.6074 -1.00357 -64.4523 TIMING: 4898400 CPU: 14236.3, 0.00290706/step Wall: 14236.3, 0.00290706/step, 0.0820437 hours remaining, 208.851562 MB of memory in use. ENERGY: 4898400 762.8473 2032.3975 1937.2582 106.9859 -206438.5711 17858.9278 0.0000 0.0000 34118.2884 -149621.8660 297.9635 -183740.1544 -149533.5903 297.7355 -100.0740 -65.8377 557664.1705 9.6018 9.6785 PRESSURE: 4898600 -246.201 -27.7612 135.411 -27.7612 -31.3735 21.8809 135.412 21.8803 3.73983 GPRESSURE: 4898600 -197.729 16.4376 191.169 -22.6704 -18.9483 33.589 116.672 -15.8805 41.6003 PRESSAVG: 4898600 -62.2452 -40.617 31.6128 -40.617 81.9064 -49.5096 31.6127 -49.5095 0.224887 GPRESSAVG: 4898600 -60.7409 -40.4065 31.0128 -38.4588 80.0725 -50.6456 31.0979 -49.9502 0.405766 TIMING: 4898600 CPU: 14236.9, 0.00292485/step Wall: 14236.9, 0.00292485/step, 0.0823834 hours remaining, 208.851562 MB of memory in use. ENERGY: 4898600 749.3310 2015.7588 1936.3020 107.3507 -206399.5822 17686.0868 0.0000 0.0000 34332.8770 -149571.8759 299.8376 -183904.7529 -149473.2959 298.0337 -91.2783 -58.3592 557469.9738 6.6287 6.5791 PRESSURE: 4898800 -58.6605 87.7041 -25.4976 87.7042 -79.518 3.19327 -25.4979 3.1936 -122.7 GPRESSURE: 4898800 10.0685 121.418 -11.6275 -11.7116 -110.995 15.7333 -32.2695 -2.2002 -62.5084 PRESSAVG: 4898800 -20.6819 -23.0376 4.0065 -23.0376 0.466867 -6.95917 4.00644 -6.95913 43.0026 GPRESSAVG: 4898800 -21.5097 -23.0701 4.77207 -24.531 1.68752 -5.27935 3.21705 -7.47785 42.6645 TIMING: 4898800 CPU: 14237.5, 0.00295309/step Wall: 14237.5, 0.00295309/step, 0.0830145 hours remaining, 208.851562 MB of memory in use. ENERGY: 4898800 720.2727 2104.0204 1935.4850 115.8928 -206248.3947 17769.2557 0.0000 0.0000 34080.9631 -149522.5048 297.6375 -183603.4680 -149426.3604 298.4710 -86.9595 -54.4782 559087.1702 7.5959 7.6141 PRESSURE: 4899000 -133.176 -313.992 68.141 -313.992 -145.296 -115.175 68.1395 -115.174 125.484 GPRESSURE: 4899000 -127.205 -245.335 74.722 -326.535 -77.6943 -58.4758 46.6285 -112.617 155.971 PRESSAVG: 4899000 -24.3414 -33.4558 27.8826 -33.4558 42.8807 42.081 27.8824 42.0809 -47.7947 GPRESSAVG: 4899000 -23.8974 -33.0729 27.4515 -32.6469 43.1197 39.4074 26.6888 43.3687 -48.1153 TIMING: 4899000 CPU: 14238.1, 0.00293077/step Wall: 14238.1, 0.00293077/step, 0.0822243 hours remaining, 208.851562 MB of memory in use. ENERGY: 4899000 749.6258 2126.4304 1961.8651 106.1456 -206670.0609 17914.7308 0.0000 0.0000 34231.6748 -149579.5882 298.9537 -183811.2631 -149485.2960 298.3712 -50.9957 -16.3093 557175.2231 -9.7518 -9.6310 PRESSURE: 4899200 -149.348 137.478 -82.7813 137.476 -130.488 2.61868 -82.7808 2.61819 -87.9923 GPRESSURE: 4899200 -131.342 206.673 -92.6355 54.0662 -103.247 152.373 -81.0774 -27.2902 -47.1627 PRESSAVG: 4899200 13.6556 3.95341 14.2609 3.95348 -3.22227 28.5357 14.2609 28.5359 14.1606 GPRESSAVG: 4899200 13.4194 3.129 13.1233 5.15155 -4.10555 28.6085 15.2203 28.0464 14.6817 TIMING: 4899200 CPU: 14238.6, 0.00294535/step Wall: 14238.6, 0.00294535/step, 0.0824697 hours remaining, 208.851562 MB of memory in use. ENERGY: 4899200 736.2562 2080.6513 1967.5936 123.4010 -206246.2206 17603.9509 0.0000 0.0000 34201.8622 -149532.5054 298.6934 -183734.3676 -149435.9454 297.9633 -122.6097 -93.9170 557435.2723 8.1980 7.9985 PRESSURE: 4899400 -139.421 172.566 -152.55 172.565 216.257 81.806 -152.55 81.8073 -241.005 GPRESSURE: 4899400 -102.089 91.7652 -148.048 227.778 249.119 78.1426 -73.8532 93.2477 -214.24 PRESSAVG: 4899400 -21.8453 -9.63447 -34.7372 -9.63433 30.7709 9.01116 -34.7371 9.01117 -59.3937 GPRESSAVG: 4899400 -22.5017 -7.51669 -33.1874 -12.6396 32.6894 9.87772 -31.1826 8.67215 -60.2894 TIMING: 4899400 CPU: 14239.2, 0.00295064/step Wall: 14239.2, 0.00295064/step, 0.0824541 hours remaining, 208.851562 MB of memory in use. ENERGY: 4899400 744.3134 2053.5679 1968.0713 113.5510 -206275.9589 17751.3164 0.0000 0.0000 34244.8668 -149400.2721 299.0689 -183645.1389 -149307.6044 299.0130 -54.7229 -22.4036 558208.6272 -16.8227 -16.7006 PRESSURE: 4899600 -131.541 121.139 -92.8123 121.138 -15.2945 -100.841 -92.8132 -100.84 22.4445 GPRESSURE: 4899600 -138.516 148.367 -89.0098 84.7584 46.7054 -247.072 -98.3847 -74.5222 60.0191 PRESSAVG: 4899600 2.13734 35.2139 -31.4218 35.2139 57.5834 -5.74641 -31.4218 -5.74642 -43.3957 GPRESSAVG: 4899600 2.31732 35.9183 -32.6552 36.4222 56.3609 -4.99693 -34.5088 -5.00653 -43.1236 TIMING: 4899600 CPU: 14239.8, 0.00291503/step Wall: 14239.8, 0.00291503/step, 0.0812969 hours remaining, 208.851562 MB of memory in use. ENERGY: 4899600 746.3207 2075.9233 1950.2991 110.8844 -205900.5955 17675.1337 0.0000 0.0000 34240.8174 -149101.2169 299.0336 -183342.0344 -149008.2263 299.6334 -41.4636 -10.5971 558851.3166 5.4417 5.1849 PRESSURE: 4899800 -40.1348 57.3961 98.3043 57.3965 -483.971 92.2819 98.3037 92.2822 -193.245 GPRESSURE: 4899800 -52.1798 28.073 50.3186 74.9611 -429.365 108.054 158.648 104.464 -133.883 PRESSAVG: 4899800 102.079 62.0433 -3.23084 62.0432 -11.1577 1.14914 -3.2308 1.14919 -65.3802 GPRESSAVG: 4899800 101.8 59.4546 -1.8034 62.5048 -12.0081 -0.946333 -1.13912 1.3338 -64.2013 TIMING: 4899800 CPU: 14240.4, 0.00293812/step Wall: 14240.4, 0.00293812/step, 0.0817777 hours remaining, 208.851562 MB of memory in use. ENERGY: 4899800 753.0112 2101.6313 1944.4614 112.8086 -205994.5799 17632.8460 0.0000 0.0000 34501.4790 -148948.3424 301.3100 -183449.8214 -148856.7961 300.6947 -239.1169 -205.1424 559796.3480 8.5136 8.5303 PRESSURE: 4900000 -30.2509 14.393 -84.8118 14.3918 187.557 -23.9132 -84.8117 -23.9142 -72.0131 GPRESSURE: 4900000 49.5223 24.0627 -90.9442 95.3974 209.124 -71.5948 -13.1164 -50.1872 -83.067 PRESSAVG: 4900000 -3.07372 -47.6368 -34.9065 -47.6367 8.4026 17.4262 -34.9067 17.4262 -41.2754 GPRESSAVG: 4900000 -3.25862 -45.6201 -32.5811 -46.6612 8.76591 18.5206 -36.5992 19.126 -41.2978 TIMING: 4900000 CPU: 14241, 0.00292504/step Wall: 14241, 0.00292504/step, 0.0812511 hours remaining, 208.851562 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: 4900000 747.6182 2070.3424 1952.5458 123.8213 -206456.5262 17946.3163 0.0000 0.0000 34474.5368 -149141.3453 301.0747 -183615.8821 -149046.1322 299.6729 28.4310 58.5264 558705.2026 -11.9822 -11.9302 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING COORDINATES TO DCD FILE MD.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 87.5188 -6.0459 11.0884 -6.04558 -207.49 -74.5788 11.0884 -74.5777 -143.283 GPRESSURE: 4900200 143.397 -13.9164 58.1344 -48.3629 -220.887 -113.975 18.0908 -105.294 -91.9416 PRESSAVG: 4900200 -37.6258 -11.0981 36.3039 -11.098 11.9883 40.9075 36.3038 40.9073 -0.419409 GPRESSAVG: 4900200 -36.8113 -12.8629 36.4719 -12.0774 10.6119 42.3903 36.4308 39.8547 0.576156 TIMING: 4900200 CPU: 14241.6, 0.00300629/step Wall: 14241.6, 0.00300629/step, 0.0833411 hours remaining, 208.851562 MB of memory in use. ENERGY: 4900200 743.8950 2087.7072 1946.6403 121.7586 -206129.9893 17757.2625 0.0000 0.0000 34226.5633 -149246.1624 298.9091 -183472.7257 -149141.2223 299.3513 -87.7512 -56.4774 558798.2819 -8.6856 -8.5411 LDB: ============= START OF LOAD BALANCING ============== 14245.1 LDB: ============== END OF LOAD BALANCING =============== 14245.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14245.1 LDB: ============= START OF LOAD BALANCING ============== 14245.4 LDB: Largest compute 4848 load 0.031234 is 26.5% of average load 0.117817 LDB: Average compute 0.001734 is 1.5% of average load 0.117817 LDB: TIME 14245.4 LOAD: AVG 0.117817 MAX 0.189374 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.559 MB LDB: TIME 14245.4 LOAD: AVG 0.117817 MAX 0.189374 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: TIME 14245.4 LOAD: AVG 0.117817 MAX 0.189374 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14245.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14245.4 PRESSURE: 4900400 88.6884 -360.737 84.553 -360.737 -15.28 -58.8243 84.5532 -58.8239 -60.8798 GPRESSURE: 4900400 131.859 -393.452 50.5533 -326.982 20.147 -61.0445 120.861 -54.1594 -41.216 PRESSAVG: 4900400 32.783 8.9164 -0.963509 8.91643 -33.6144 -11.3086 -0.963379 -11.3087 25.2295 GPRESSAVG: 4900400 31.5862 7.82115 -2.26502 10.4473 -31.9224 -12.9543 -1.25373 -11.6943 24.8491 TIMING: 4900400 CPU: 14242.2, 0.00296971/step Wall: 14242.2, 0.00296971/step, 0.0821619 hours remaining, 209.929688 MB of memory in use. ENERGY: 4900400 747.6350 2106.8714 1956.9847 119.0976 -206267.5393 17798.2135 0.0000 0.0000 34220.7455 -149317.9915 298.8583 -183538.7371 -149222.9071 298.8284 4.1762 36.9301 558129.8315 8.1327 8.1710 PRESSURE: 4900600 7.61584 55.2932 28.9702 55.2919 -180.476 10.5932 28.9726 10.5924 -246.988 GPRESSURE: 4900600 20.0698 46.4507 -27.8816 65.7706 -121.354 19.2606 60.9221 38.1287 -224.652 PRESSAVG: 4900600 -8.49639 -32.7883 21.8459 -32.7883 -26.7087 -11.7599 21.846 -11.76 -3.22953 GPRESSAVG: 4900600 -6.73711 -32.5703 20.3535 -32.7769 -27.3996 -12.712 23.0908 -11.3906 -4.03863 TIMING: 4900600 CPU: 14242.8, 0.00291488/step Wall: 14242.8, 0.00291488/step, 0.0804831 hours remaining, 210.000000 MB of memory in use. ENERGY: 4900600 773.7846 2068.5279 1972.3860 115.8601 -205934.0252 17627.0436 0.0000 0.0000 34226.5569 -149149.8660 298.9090 -183376.4230 -149053.4826 298.8155 -139.9496 -108.6455 558156.7499 -12.8115 -12.7251 PRESSURE: 4900800 87.3214 182.659 -3.49485 182.66 33.9117 28.7969 -3.49548 28.7983 234.182 GPRESSURE: 4900800 135.895 154.756 -77.7963 212.42 41.2635 52.0594 28.8849 -17.2821 273.075 PRESSAVG: 4900800 18.4395 42.2431 27.8393 42.2431 -7.01389 -12.9064 27.8394 -12.9066 29.8792 GPRESSAVG: 4900800 17.8713 42.3902 27.9867 41.9577 -6.42649 -10.9377 27.6956 -12.4981 29.952 TIMING: 4900800 CPU: 14243.4, 0.00290443/step Wall: 14243.4, 0.00290443/step, 0.0800331 hours remaining, 210.000000 MB of memory in use. ENERGY: 4900800 753.7761 2117.4443 1970.8067 115.5036 -206351.8511 17848.9634 0.0000 0.0000 34171.4616 -149373.8953 298.4279 -183545.3569 -149276.2772 298.5344 118.4716 150.0780 556773.2535 13.7683 13.7989 PRESSURE: 4901000 187.563 -2.10365 38.1786 -2.10475 77.6698 -52.5396 38.1777 -52.54 64.6815 GPRESSURE: 4901000 227.002 -15.3848 63.9859 15.3721 70.4241 -54.6761 32.3968 -85.119 126.368 PRESSAVG: 4901000 13.5448 20.5704 70.7977 20.5706 19.954 2.46898 70.7977 2.46896 -14.8839 GPRESSAVG: 4901000 13.2211 20.3893 70.581 21.7073 19.2573 3.37866 68.9639 0.67259 -13.6099 TIMING: 4901000 CPU: 14243.9, 0.00290851/step Wall: 14243.9, 0.00290851/step, 0.0799841 hours remaining, 210.000000 MB of memory in use. ENERGY: 4901000 715.2061 2045.9093 1963.4361 120.9294 -206338.4159 17920.0579 0.0000 0.0000 34252.2112 -149320.6658 299.1331 -183572.8770 -149217.9751 298.3965 109.9714 141.2646 556186.5885 6.2050 6.2895 PRESSURE: 4901200 -211.336 -139.823 41.6003 -139.824 123.59 -154.797 41.6012 -154.797 -120.791 GPRESSURE: 4901200 -171.639 -176.965 27.2378 -136.545 106.92 -51.7971 87.5877 -132.04 -43.5702 PRESSAVG: 4901200 16.6047 21.9438 54.9537 21.9437 14.0385 -96.6969 54.9538 -96.6969 -3.70277 GPRESSAVG: 4901200 17.661 22.5823 55.6723 18.2713 14.1626 -96.7294 57.5307 -98.1712 -5.45163 TIMING: 4901200 CPU: 14244.5, 0.00289273/step Wall: 14244.5, 0.00289273/step, 0.0793893 hours remaining, 210.000000 MB of memory in use. ENERGY: 4901200 786.7081 2147.4280 1929.1513 106.1498 -206286.9233 17755.6008 0.0000 0.0000 34206.9462 -149354.9392 298.7378 -183561.8853 -149263.7169 298.9298 -69.5119 -36.0963 556187.7462 8.9801 8.7906 PRESSURE: 4901400 -251.638 15.1269 -42.7316 15.127 -89.8243 -125.528 -42.7318 -125.528 -1.91726 GPRESSURE: 4901400 -147.059 86.0566 31.2488 -28.1748 -81.002 -92.2659 -47.1711 -208.098 -34.4774 PRESSAVG: 4901400 20.0013 -44.5011 13.6631 -44.5012 35.2238 -22.0345 13.6632 -22.0344 -15.6853 GPRESSAVG: 4901400 19.0861 -45.4754 15.3298 -42.7882 36.5492 -20.3858 11.8691 -21.7828 -16.1413 TIMING: 4901400 CPU: 14245.1, 0.00294666/step Wall: 14245.1, 0.00294666/step, 0.0807056 hours remaining, 210.000000 MB of memory in use. ENERGY: 4901400 771.3389 2171.5335 1963.5889 111.7899 -206305.9365 17749.9596 0.0000 0.0000 34221.8364 -149315.8894 298.8678 -183537.7258 -149224.2734 298.7381 -114.4598 -87.5128 557526.7426 13.1799 13.1647 PRESSURE: 4901600 43.9462 -80.1857 115.64 -80.1853 143.165 -159.705 115.641 -159.703 -63.194 GPRESSURE: 4901600 76.3531 -52.6911 133.405 5.39981 211.761 -35.1301 117.234 -224.014 -67.4841 PRESSAVG: 4901600 31.6907 -23.8424 -24.9662 -23.8424 -14.534 -16.3991 -24.9662 -16.3991 -22.3947 GPRESSAVG: 4901600 32.1627 -23.2152 -25.0906 -21.5145 -14.2912 -19.5294 -23.6648 -13.6654 -22.548 TIMING: 4901600 CPU: 14245.7, 0.00293351/step Wall: 14245.7, 0.00293351/step, 0.0801825 hours remaining, 210.000000 MB of memory in use. ENERGY: 4901600 740.6521 2078.7230 1965.5381 115.3940 -206110.0258 17803.4452 0.0000 0.0000 34046.7011 -149359.5723 297.3383 -183406.2733 -149267.0759 298.6349 41.3059 73.5433 557115.6903 -1.7460 -1.5588 PRESSURE: 4901800 -292.515 -22.7611 -161.739 -22.7621 -85.8772 101.495 -161.739 101.495 3.11515 GPRESSURE: 4901800 -262.706 33.3057 -181.162 -2.62409 -82.1302 151.044 -176.061 96.5899 53.7041 PRESSAVG: 4901800 -66.8492 -44.2756 -20.2422 -44.2756 75.8165 45.3341 -20.2422 45.334 26.2834 GPRESSAVG: 4901800 -67.2256 -44.7321 -21.4971 -46.3852 75.9729 46.6194 -21.4537 43.8966 27.4704 TIMING: 4901800 CPU: 14246.3, 0.00290801/step Wall: 14246.3, 0.00290801/step, 0.0793241 hours remaining, 210.000000 MB of memory in use. ENERGY: 4901800 769.9765 2062.0551 1984.7312 112.8439 -206260.4839 17572.1179 0.0000 0.0000 34187.6686 -149571.0907 298.5694 -183758.7593 -149466.6127 298.7082 -125.0924 -97.0439 556903.4437 11.7502 12.0726 PRESSURE: 4902000 48.9288 68.1178 -190.515 68.1172 129.279 57.9162 -190.515 57.9151 -175.091 GPRESSURE: 4902000 57.5642 125.115 -136.609 4.82886 156.111 17.4403 -168.243 12.0719 -112.819 PRESSAVG: 4902000 -3.07969 19.8431 -47.3426 19.8431 57.6367 65.5834 -47.3427 65.5835 -69.5944 GPRESSAVG: 4902000 -2.2395 20.5897 -46.1846 20.2735 57.574 66.2556 -46.8476 65.02 -69.8061 TIMING: 4902000 CPU: 14246.9, 0.00291686/step Wall: 14246.9, 0.00291686/step, 0.0794035 hours remaining, 210.000000 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: 4902000 747.5679 2054.3380 1963.1247 125.1864 -206526.2565 17988.2773 0.0000 0.0000 34224.3868 -149423.3753 298.8901 -183647.7621 -149326.9307 298.6040 1.0389 33.6189 557402.4765 -5.0125 -4.8239 PRESSURE: 4902200 181.034 8.93404 -33.6572 8.93423 -205.202 -0.143582 -33.6576 -0.14374 75.5144 GPRESSURE: 4902200 197.54 29.9303 -115.575 61.4882 -102.505 5.54225 -60.2257 -45.3705 61.5942 PRESSAVG: 4902200 6.4201 11.1978 -4.30949 11.1978 -2.25578 30.6692 -4.30947 30.6693 -51.7092 GPRESSAVG: 4902200 5.30316 8.92261 -4.61789 10.7555 -3.16215 29.2555 -4.24429 32.2877 -50.286 TIMING: 4902200 CPU: 14247.4, 0.0029294/step Wall: 14247.4, 0.0029294/step, 0.0795819 hours remaining, 210.000000 MB of memory in use. ENERGY: 4902200 790.1523 2112.4342 1945.3545 127.6412 -206642.9059 17951.9611 0.0000 0.0000 34346.3495 -149369.0131 299.9552 -183715.3626 -149273.2239 298.8889 17.1153 52.2097 557773.6091 -15.8483 -16.0483 PRESSURE: 4902400 275.227 -116.731 -35.3073 -116.731 -29.2329 117.537 -35.3067 117.537 43.6424 GPRESSURE: 4902400 280.34 -64.6775 -3.40581 -133.955 42.5801 98.241 -31.6071 98.9093 62.1952 PRESSAVG: 4902400 64.175 52.2933 -28.1114 52.2933 -59.4143 61.3783 -28.1114 61.3783 -11.488 GPRESSAVG: 4902400 65.5355 54.1876 -28.9539 53.4042 -60.2555 61.9582 -29.9563 60.4295 -12.8083 TIMING: 4902400 CPU: 14248, 0.00291221/step Wall: 14248, 0.00291221/step, 0.0789533 hours remaining, 210.000000 MB of memory in use. ENERGY: 4902400 763.3825 2158.2863 1951.4246 113.3678 -206926.0285 18166.4395 0.0000 0.0000 34340.5904 -149432.5375 299.9049 -183773.1279 -149336.1271 299.1610 96.5456 128.3719 556761.5606 -2.2424 -2.5095 PRESSURE: 4902600 -44.3995 103.33 -98.8343 103.33 17.6048 -7.76762 -98.835 -7.76795 -35.6449 GPRESSURE: 4902600 -17.5242 104.622 -177.934 182.424 27.2243 25.5428 -164.804 -59.141 20.121 PRESSAVG: 4902600 -65.7335 68.46 -54.1649 68.4599 12.4806 30.743 -54.1649 30.743 30.0884 GPRESSAVG: 4902600 -66.3796 68.3987 -53.3589 66.2496 13.2796 30.322 -52.6405 32.1906 29.8548 TIMING: 4902600 CPU: 14248.6, 0.00292241/step Wall: 14248.6, 0.00292241/step, 0.0790674 hours remaining, 210.000000 MB of memory in use. ENERGY: 4902600 720.2909 2063.9147 1971.9607 107.8101 -206381.8692 17881.5250 0.0000 0.0000 34001.3099 -149635.0578 296.9419 -183636.3678 -149539.6750 298.4629 -20.8132 9.9404 558685.9814 -7.7215 -7.7484 PRESSURE: 4902800 -14.0415 51.0175 -62.7496 51.0175 52.1289 -67.2941 -62.7488 -67.2932 -193.221 GPRESSURE: 4902800 16.3399 45.8805 -73.8855 -26.5027 72.4688 81.102 -29.4865 -93.4447 -146.531 PRESSAVG: 4902800 -6.44381 54.1559 -25.349 54.156 -66.6249 -2.9013 -25.349 -2.9014 52.3216 GPRESSAVG: 4902800 -5.06431 52.4775 -25.0866 55.9968 -67.3582 -3.19452 -28.2736 -1.67231 51.9595 TIMING: 4902800 CPU: 14249.2, 0.00292299/step Wall: 14249.2, 0.00292299/step, 0.0789207 hours remaining, 210.000000 MB of memory in use. ENERGY: 4902800 734.5978 2082.0053 1964.0695 101.8200 -206600.4934 17898.1211 0.0000 0.0000 34267.0165 -149552.8630 299.2624 -183819.8796 -149451.7766 298.4008 -51.7112 -19.2408 558215.0802 -6.9157 -6.8210 PRESSURE: 4903000 -65.1041 -105.418 -33.9009 -105.417 95.1489 90.3261 -33.901 90.3263 114.701 GPRESSURE: 4903000 -40.7067 -225.246 -79.255 1.96071 139.515 118.541 32.3943 127.356 152.022 PRESSAVG: 4903000 23.2617 -32.3105 3.52851 -32.3104 8.20203 44.775 3.52858 44.7749 28.1616 GPRESSAVG: 4903000 22.6531 -30.503 2.94647 -32.5951 7.28033 44.9737 8.13423 44.2629 29.64 TIMING: 4903000 CPU: 14249.8, 0.00293735/step Wall: 14249.8, 0.00293735/step, 0.0791453 hours remaining, 210.000000 MB of memory in use. ENERGY: 4903000 756.6420 2062.1333 1945.8068 100.1359 -206646.7985 17989.8787 0.0000 0.0000 34110.9976 -149681.2042 297.8998 -183792.2018 -149585.9969 297.9403 48.2486 83.6101 557797.5519 19.8751 19.8578 PRESSURE: 4903200 -49.6525 -66.9629 -9.27122 -66.9641 -128.569 57.1194 -9.27249 57.1205 -266.754 GPRESSURE: 4903200 -63.1877 -134.164 -7.25065 -13.3626 -117.928 98.7388 -28.5249 76.5578 -173.292 PRESSAVG: 4903200 -13.0924 -16.7535 -40.9304 -16.7535 30.2532 49.6551 -40.9304 49.655 -16.6538 GPRESSAVG: 4903200 -13.2727 -17.6404 -41.24 -17.7096 31.7725 51.9087 -42.2984 48.0315 -18.4399 TIMING: 4903200 CPU: 14250.4, 0.00293596/step Wall: 14250.4, 0.00293596/step, 0.0789446 hours remaining, 210.000000 MB of memory in use. ENERGY: 4903200 739.0097 2128.2978 1955.3349 89.8777 -206128.9965 17611.2692 0.0000 0.0000 33966.9728 -149638.2344 296.6420 -183605.2072 -149552.4632 297.8002 -148.3250 -118.1359 557878.3861 0.1690 0.0200 PRESSURE: 4903400 -79.1894 -34.2747 25.6712 -34.2749 -58.5869 80.1559 25.672 80.1564 -106.093 GPRESSURE: 4903400 -16.5679 -61.9568 75.0464 -61.9549 -69.3547 73.4421 -68.0581 39.7459 -59.3533 PRESSAVG: 4903400 25.504 -32.8663 -17.6336 -32.8664 45.0147 8.01815 -17.6337 8.01821 -11.52 GPRESSAVG: 4903400 25.6512 -33.3351 -18.6589 -30.9994 44.0952 6.08512 -16.5766 9.40661 -10.5636 TIMING: 4903400 CPU: 14250.9, 0.00289967/step Wall: 14250.9, 0.00289967/step, 0.0778078 hours remaining, 210.000000 MB of memory in use. ENERGY: 4903400 745.5336 2144.8287 1940.7860 106.6374 -206463.5435 17804.9255 0.0000 0.0000 34274.7972 -149446.0351 299.3303 -183720.8323 -149348.3903 298.7953 -81.2897 -48.4253 557851.9914 19.6662 19.7276 PRESSURE: 4903600 100.658 -101.806 -160.257 -101.806 19.2642 34.9652 -160.257 34.9637 171.446 GPRESSURE: 4903600 194.716 -79.2755 -95.48 -101.059 33.1113 71.9129 -231.273 38.9931 164.584 PRESSAVG: 4903600 0.982269 40.5745 31.2372 40.5745 1.48271 22.5524 31.2372 22.5524 11.4978 GPRESSAVG: 4903600 0.476958 40.8985 32.9762 37.8903 2.18237 22.7433 31.1508 20.8413 12.2195 TIMING: 4903600 CPU: 14251.5, 0.00293689/step Wall: 14251.5, 0.00293689/step, 0.0786434 hours remaining, 210.000000 MB of memory in use. ENERGY: 4903600 743.8250 2087.4441 1963.5157 109.1003 -206629.6475 18070.4756 0.0000 0.0000 34097.5292 -149557.7574 297.7822 -183655.2866 -149464.7344 298.4632 97.1226 130.8036 556423.9015 4.6543 4.9596 PRESSURE: 4903800 -244.37 -38.0597 165.25 -38.0596 -115.732 142.214 165.249 142.212 -128.065 GPRESSURE: 4903800 -250.086 -2.24498 116.313 -43.5681 -101.054 169.157 191.502 97.5099 -36.5426 PRESSAVG: 4903800 -26.2978 -56.2038 14.9294 -56.2039 -51.9592 12.8083 14.9294 12.8083 88.2315 GPRESSAVG: 4903800 -26.3897 -55.0915 12.8645 -54.6451 -51.4521 10.7326 13.5119 14.6394 87.3933 TIMING: 4903800 CPU: 14252.1, 0.00292621/step Wall: 14252.1, 0.00292621/step, 0.0781949 hours remaining, 210.000000 MB of memory in use. ENERGY: 4903800 754.1295 2066.6897 1989.7606 119.6926 -206283.0477 17706.4771 0.0000 0.0000 34181.9815 -149464.3168 298.5197 -183646.2983 -149369.2250 298.2417 -162.7221 -129.2276 557506.9658 3.3248 3.1839 PRESSURE: 4904000 -341.269 243.448 16.7551 243.447 105.703 -26.8137 16.7557 -26.8147 -119.16 GPRESSURE: 4904000 -247.119 177.307 9.35441 166.325 108.978 21.1245 14.1318 -20.8121 -128.572 PRESSAVG: 4904000 -20.9949 27.6194 12.7808 27.6193 -2.18632 35.6838 12.7808 35.6837 37.4435 GPRESSAVG: 4904000 -21.1636 26.6709 13.1238 28.211 -0.214978 36.745 12.5916 34.9527 35.7884 TIMING: 4904000 CPU: 14252.7, 0.00290952/step Wall: 14252.7, 0.00290952/step, 0.0775872 hours remaining, 210.000000 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: 4904000 705.2950 2034.9912 1990.9296 106.1292 -206690.9468 17937.1353 0.0000 0.0000 34520.8215 -149395.6451 301.4789 -183916.4665 -149296.2037 299.2216 -118.2420 -88.9043 559236.2291 4.7541 4.8033 PRESSURE: 4904200 -340.396 -205.325 -21.7538 -205.326 -38.8927 93.6144 -21.7548 93.6155 -296.788 GPRESSURE: 4904200 -286.966 -261.148 -114.146 -184.811 -14.468 170.908 24.3891 9.57038 -279.884 PRESSAVG: 4904200 -35.5342 27.7827 -36.6664 27.7827 32.4605 -34.0363 -36.6664 -34.0364 -25.5567 GPRESSAVG: 4904200 -35.2347 28.7335 -34.7176 26.8005 31.2778 -32.3226 -35.7361 -33.8258 -24.6053 TIMING: 4904200 CPU: 14253.3, 0.00292331/step Wall: 14253.3, 0.00292331/step, 0.0777925 hours remaining, 210.000000 MB of memory in use. ENERGY: 4904200 733.5266 2088.0504 1941.1820 119.9009 -206013.5878 17600.5517 0.0000 0.0000 34155.0229 -149375.3534 298.2843 -183530.3762 -149282.6414 299.1427 -225.3588 -193.7724 558919.5940 -9.5435 -9.5207 LDB: ============= START OF LOAD BALANCING ============== 14256.8 LDB: ============== END OF LOAD BALANCING =============== 14256.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14256.8 LDB: ============= START OF LOAD BALANCING ============== 14257 LDB: Largest compute 4848 load 0.031970 is 27.1% of average load 0.117783 LDB: Average compute 0.001733 is 1.5% of average load 0.117783 LDB: TIME 14257 LOAD: AVG 0.117783 MAX 0.189954 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.035 MB LDB: TIME 14257 LOAD: AVG 0.117783 MAX 0.189954 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: TIME 14257 LOAD: AVG 0.117783 MAX 0.189954 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14257 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14257.1 PRESSURE: 4904400 187.996 41.472 -158.566 41.4707 -254.605 -9.93125 -158.568 -9.93177 -68.3058 GPRESSURE: 4904400 227.932 -13.4754 -159.286 62.2909 -229.913 -1.51191 -210.663 10.5563 -41.0732 PRESSAVG: 4904400 -18.7178 -37.0733 3.69472 -37.0732 -5.71697 -8.24812 3.69478 -8.24819 -3.07866 GPRESSAVG: 4904400 -19.227 -36.1528 2.95834 -36.9913 -5.83462 -8.00217 4.52311 -9.0715 -2.74591 TIMING: 4904400 CPU: 14253.9, 0.0029735/step Wall: 14253.9, 0.0029735/step, 0.078963 hours remaining, 208.250000 MB of memory in use. ENERGY: 4904400 740.3151 2051.9869 1989.5980 123.6020 -206338.3195 17776.9081 0.0000 0.0000 34309.7054 -149346.2041 299.6352 -183655.9095 -149250.7896 299.4387 -44.9715 -14.3514 557491.3911 -9.1712 -9.2692 PRESSURE: 4904600 285.133 -145.989 -6.12747 -145.99 132.434 -102.87 -6.12775 -102.87 124.753 GPRESSURE: 4904600 292.468 -91.4682 -70.8689 -203.14 176.374 -101.839 37.6501 -40.1574 157.61 PRESSAVG: 4904600 12.6878 30.6341 -32.5511 30.634 -29.9585 42.9452 -32.5511 42.9452 42.8777 GPRESSAVG: 4904600 13.8859 27.6438 -33.7142 32.5551 -30.3828 40.4432 -34.0203 45.8199 42.0191 TIMING: 4904600 CPU: 14254.5, 0.00290459/step Wall: 14254.5, 0.00290459/step, 0.0769716 hours remaining, 208.453125 MB of memory in use. ENERGY: 4904600 731.9513 2018.9873 1940.1756 101.3577 -206492.5529 18117.4258 0.0000 0.0000 34126.7567 -149455.8985 298.0375 -183582.6552 -149357.6417 298.7028 180.7732 208.8174 558226.7541 8.5357 8.5074 PRESSURE: 4904800 -36.7936 73.2016 -30.6703 73.2003 -56.0839 -56.128 -30.6703 -56.1273 -148.608 GPRESSURE: 4904800 -11.1389 84.0188 -86.333 125.114 -83.4088 -93.3794 12.1367 -51.6283 -54.8205 PRESSAVG: 4904800 17.3748 56.6749 -5.23913 56.6749 18.8411 -55.3249 -5.23911 -55.325 -27.3942 GPRESSAVG: 4904800 16.7035 58.4369 -3.95121 53.9973 18.4451 -55.7035 -5.14142 -58.3468 -25.7767 TIMING: 4904800 CPU: 14255, 0.00289625/step Wall: 14255, 0.00289625/step, 0.0765898 hours remaining, 208.453125 MB of memory in use. ENERGY: 4904800 781.6109 2059.0044 1973.3068 113.5394 -206117.6548 17635.4794 0.0000 0.0000 34178.9994 -149375.7145 298.4937 -183554.7140 -149286.6227 298.1253 -80.4950 -49.7894 557302.3749 2.9405 3.1239 PRESSURE: 4905000 44.3968 -8.24723 -30.8509 -8.24774 23.8326 -37.0124 -30.8504 -37.0129 -295.28 GPRESSURE: 4905000 70.7464 33.6807 -92.0242 -57.5816 73.9384 -36.564 63.1527 -22.3159 -270.701 PRESSAVG: 4905000 36.3077 -8.45715 8.75085 -8.45716 3.91446 40.7654 8.75076 40.7654 -17.2593 GPRESSAVG: 4905000 34.9916 -7.9267 6.67126 -7.57221 5.64936 40.7353 10.4136 43.4233 -17.9122 TIMING: 4905000 CPU: 14255.6, 0.00289063/step Wall: 14255.6, 0.00289064/step, 0.0762806 hours remaining, 208.453125 MB of memory in use. ENERGY: 4905000 720.4601 2102.8865 1965.4140 118.0963 -206416.4080 17862.2400 0.0000 0.0000 34069.0291 -149578.2820 297.5333 -183647.3111 -149480.1472 298.2384 -75.6835 -42.0055 558372.8545 7.6543 7.5763 PRESSURE: 4905200 -167.55 -26.5963 197.72 -26.5977 -267.925 -15.5825 197.72 -15.5814 -215.158 GPRESSURE: 4905200 -130.504 30.0024 276.128 31.2461 -213.915 25.0032 124.548 58.7603 -203.485 PRESSAVG: 4905200 27.7156 6.79011 24.0768 6.79008 -56.599 17.6027 24.0768 17.6026 -1.06108 GPRESSAVG: 4905200 30.2312 6.17133 25.7571 7.57219 -59.2042 19.9319 23.0458 16.2784 -1.06901 TIMING: 4905200 CPU: 14256.2, 0.002908/step Wall: 14256.2, 0.002908/step, 0.0765772 hours remaining, 208.453125 MB of memory in use. ENERGY: 4905200 736.0699 2109.4999 1975.6590 127.1051 -206221.8803 17677.3124 0.0000 0.0000 34023.0911 -149573.1430 297.1321 -183596.2341 -149480.4459 297.9004 -216.8779 -182.6348 558189.5704 -9.9815 -10.0140 PRESSURE: 4905400 -95.4693 -23.1984 -82.7895 -23.1977 70.1227 -92.8902 -82.7893 -92.8906 147.167 GPRESSURE: 4905400 -96.648 27.6796 -66.4157 -17.5133 128.622 -52.9116 -98.2598 -137.11 190.564 PRESSAVG: 4905400 -48.1218 -25.9429 -15.398 -25.943 4.90436 48.1822 -15.3979 48.1822 27.1893 GPRESSAVG: 4905400 -48.5079 -25.4857 -15.0481 -24.7161 4.80702 47.6577 -16.0966 48.5663 27.8586 TIMING: 4905400 CPU: 14256.8, 0.00289049/step Wall: 14256.8, 0.00289049/step, 0.0759556 hours remaining, 208.453125 MB of memory in use. ENERGY: 4905400 767.8281 2064.6762 1938.9956 115.1926 -206482.1574 17865.1309 0.0000 0.0000 34422.7380 -149307.5959 300.6223 -183730.3339 -149216.2750 299.0257 40.6070 74.1794 557834.0253 -5.3427 -5.2808 PRESSURE: 4905600 -260.391 -1.22696 -138.941 -1.2276 -79.683 -29.9645 -138.939 -29.964 249.713 GPRESSURE: 4905600 -241.026 14.9188 -135.935 -27.1183 -17.8167 -84.2058 -103.873 -18.0736 281.766 PRESSAVG: 4905600 -62.4366 12.421 -36.4739 12.4209 15.6836 35.9019 -36.4739 35.9019 53.5873 GPRESSAVG: 4905600 -62.824 11.1592 -37.1756 10.2675 16.8826 35.4852 -36.4245 34.3979 52.7227 TIMING: 4905600 CPU: 14257.4, 0.00289466/step Wall: 14257.4, 0.00289466/step, 0.0759045 hours remaining, 208.453125 MB of memory in use. ENERGY: 4905600 737.8517 2023.0994 1956.7637 111.9959 -206240.1744 17781.8730 0.0000 0.0000 34079.3432 -149549.2476 297.6234 -183628.5907 -149453.8050 299.5821 -30.1206 7.6411 557002.4505 2.2781 2.2604 PRESSURE: 4905800 -169.152 39.6041 -21.2658 39.6038 -245.182 201.165 -21.2665 201.165 -292.558 GPRESSURE: 4905800 -100.775 60.8048 3.90996 -77.0166 -194.088 166.342 -0.509978 161.622 -309.442 PRESSAVG: 4905800 -16.8977 29.3395 3.15443 29.3396 -53.6869 22.21 3.15445 22.21 31.7585 GPRESSAVG: 4905800 -16.5767 30.709 4.37677 30.2517 -54.4971 21.9585 2.59831 23.2698 32.7464 TIMING: 4905800 CPU: 14257.9, 0.0029137/step Wall: 14257.9, 0.0029137/step, 0.0762418 hours remaining, 208.453125 MB of memory in use. ENERGY: 4905800 770.2917 2060.2079 1950.4772 110.3502 -206277.4772 17706.2104 0.0000 0.0000 34163.7321 -149516.2077 298.3604 -183679.9398 -149425.3404 298.0787 -235.6307 -201.4350 557275.4930 -12.9420 -12.7758 PRESSURE: 4906000 -350.272 129.679 59.8967 129.679 -19.9549 0.417788 59.8953 0.417632 -167.956 GPRESSURE: 4906000 -384.864 138.444 77.2629 194.31 55.4975 -14.6278 -13.9474 40.4211 -101.153 PRESSAVG: 4906000 -98.8277 39.8548 -36.1924 39.8547 -19.5094 -4.07947 -36.1924 -4.0795 56.0338 GPRESSAVG: 4906000 -99.6345 38.5318 -38.1275 39.0201 -18.4778 -4.11063 -34.2596 -3.80002 56.1204 TIMING: 4906000 CPU: 14258.5, 0.00291969/step Wall: 14258.5, 0.00291969/step, 0.0762365 hours remaining, 208.453125 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: 4906000 784.1645 2009.8422 1943.3812 106.6649 -205935.2985 17546.2798 0.0000 0.0000 34009.4233 -149535.5426 297.0128 -183544.9659 -149440.9631 298.1668 -179.3945 -143.5062 557508.6876 -20.7678 -20.6639 PRESSURE: 4906200 -6.84836 118.261 94.8919 118.262 -49.5753 -92.2061 94.8921 -92.2058 -72.1994 GPRESSURE: 4906200 29.9353 164.871 27.8059 28.8148 -50.856 -30.8418 160.543 -75.3588 -14.3707 PRESSAVG: 4906200 1.10684 6.14026 -1.03497 6.1403 22.3625 -3.80549 -1.03504 -3.80557 -4.50946 GPRESSAVG: 4906200 1.62204 5.64775 0.426689 9.62314 21.0045 -3.10216 -3.635 -6.7554 -4.271 TIMING: 4906200 CPU: 14259.1, 0.00291999/step Wall: 14259.1, 0.00291999/step, 0.0760819 hours remaining, 208.656250 MB of memory in use. ENERGY: 4906200 747.7365 1988.5816 1932.2772 117.3992 -206159.4192 17658.3797 0.0000 0.0000 34160.9828 -149554.0623 298.3364 -183715.0451 -149459.2084 298.5241 -42.8743 -11.7638 556790.6017 6.3199 6.1185 PRESSURE: 4906400 -559.012 -101.752 -50.2238 -101.751 142.307 224.69 -50.2238 224.689 -171.528 GPRESSURE: 4906400 -495.274 -44.4292 -30.552 -138.053 195.233 148.779 -13.0366 235.199 -189.359 PRESSAVG: 4906400 -46.177 -0.125955 -16.4496 -0.126022 56.842 -34.0061 -16.4496 -34.0061 -46.2397 GPRESSAVG: 4906400 -46.5135 0.749155 -16.4021 0.605241 57.5822 -33.6896 -15.5708 -34.5542 -46.8703 TIMING: 4906400 CPU: 14259.7, 0.00293167/step Wall: 14259.7, 0.00293167/step, 0.0762233 hours remaining, 208.656250 MB of memory in use. ENERGY: 4906400 764.3590 2060.6343 1933.1852 115.5504 -206156.6896 17512.3170 0.0000 0.0000 34267.9489 -149502.6948 299.2705 -183770.6437 -149398.8136 298.5744 -196.0778 -163.1332 557628.2815 -11.8582 -11.9338 PRESSURE: 4906600 -271.886 -61.3078 54.9623 -61.3076 -144.097 2.60238 54.9617 2.60486 -123.227 GPRESSURE: 4906600 -287.49 -71.3047 78.2562 -127.047 -123.658 72.7299 95.7914 -59.195 -23.7436 PRESSAVG: 4906600 -40.9359 1.94414 40.3168 1.94407 48.6458 51.9306 40.3168 51.9306 3.33025 GPRESSAVG: 4906600 -40.5018 3.85332 39.1288 -1.16281 48.5781 49.1357 40.415 56.3145 2.99231 TIMING: 4906600 CPU: 14260.3, 0.00291421/step Wall: 14260.3, 0.00291421/step, 0.0756076 hours remaining, 208.718750 MB of memory in use. ENERGY: 4906600 762.9255 2078.3624 1963.6204 115.1961 -206036.5047 17593.5325 0.0000 0.0000 34018.2651 -149504.6029 297.0900 -183522.8679 -149413.7582 298.3359 -179.7366 -144.9640 558094.3757 3.6801 3.6896 PRESSURE: 4906800 102.225 115.24 -58.9535 115.24 118.738 39.0429 -58.9533 39.0428 -217.684 GPRESSURE: 4906800 149.505 72.5195 9.50859 116.707 117.671 15.5877 -89.4233 38.1882 -151.131 PRESSAVG: 4906800 -31.89 48.2329 38.7009 48.2329 24.0454 27.8699 38.701 27.8698 -36.5564 GPRESSAVG: 4906800 -31.9739 46.1429 41.2921 49.4626 23.0116 28.6348 37.1658 26.1097 -35.5434 TIMING: 4906800 CPU: 14260.9, 0.00291963/step Wall: 14260.9, 0.00291963/step, 0.0755861 hours remaining, 208.718750 MB of memory in use. ENERGY: 4906800 740.8070 2042.1405 1963.2527 114.5710 -206450.8292 17873.2796 0.0000 0.0000 34152.4057 -149564.3727 298.2615 -183716.7784 -149471.7707 298.1345 1.0930 38.6819 557562.8157 -14.8003 -14.8353 PRESSURE: 4907000 -1.50185 5.46889 148.949 5.47032 205.335 35.1391 148.948 35.1381 -123.4 GPRESSURE: 4907000 116.246 -37.586 268.094 -13.4021 203.314 41.0622 67.6642 -32.694 -139.736 PRESSAVG: 4907000 20.4408 16.1925 16.557 16.1925 -52.8405 -3.75122 16.557 -3.75119 -6.11561 GPRESSAVG: 4907000 21.2683 18.7033 15.5195 15.05 -51.5896 -6.1918 17.8229 -3.81763 -8.18211 TIMING: 4907000 CPU: 14261.4, 0.00290932/step Wall: 14261.4, 0.00290932/step, 0.0751575 hours remaining, 208.718750 MB of memory in use. ENERGY: 4907000 711.4253 2052.0871 1950.8879 99.7531 -206441.6143 17909.9424 0.0000 0.0000 34023.6030 -149693.9156 297.1366 -183717.5186 -149596.7826 298.0415 26.8111 59.9413 557561.9328 -12.8384 -12.8344 PRESSURE: 4907200 -100.396 -39.1615 -20.0802 -39.1619 217.544 123.798 -20.0785 123.799 130.383 GPRESSURE: 4907200 11.4693 -130.074 -118.347 -27.3551 177.555 85.1725 -11.2377 112.561 158.257 PRESSAVG: 4907200 -40.2259 -16.4669 44.1141 -16.4669 -7.51643 -16.0397 44.1141 -16.0397 36.7995 GPRESSAVG: 4907200 -41.3624 -18.6936 42.3017 -15.9569 -8.37037 -12.2894 43.0945 -17.8588 38.6566 TIMING: 4907200 CPU: 14262, 0.00289144/step Wall: 14262, 0.00289144/step, 0.0745349 hours remaining, 208.718750 MB of memory in use. ENERGY: 4907200 744.9446 2041.8563 1943.3827 100.5872 -206624.8542 17984.1163 0.0000 0.0000 34202.8580 -149607.1091 298.7021 -183809.9671 -149510.9040 297.6440 82.5103 115.7603 557289.3486 -3.6476 -3.6921 PRESSURE: 4907400 -369.887 -37.0246 -32.77 -37.0255 -170.256 -103.377 -32.7693 -103.378 -293.711 GPRESSURE: 4907400 -409.65 56.8164 9.16565 -128.931 -115.829 -31.3222 -45.2327 -164.145 -218.289 PRESSAVG: 4907400 -1.85903 -39.0397 12.2941 -39.0397 39.4962 53.7549 12.2941 53.7547 -16.227 GPRESSAVG: 4907400 -1.19051 -38.6023 12.5739 -38.3464 40.4786 54.9409 14.0197 54.0608 -17.9525 TIMING: 4907400 CPU: 14262.6, 0.00290234/step Wall: 14262.6, 0.00290234/step, 0.0746545 hours remaining, 208.718750 MB of memory in use. ENERGY: 4907400 772.0898 2093.5309 1935.6875 102.9327 -206551.2878 17728.9404 0.0000 0.0000 34082.8015 -149835.3050 297.6536 -183918.1065 -149741.3998 297.6663 -277.9517 -247.9225 559265.7366 7.1367 7.1119 PRESSURE: 4907600 86.9773 116.687 -108.475 116.687 -66.9563 -116.189 -108.475 -116.188 296.408 GPRESSURE: 4907600 102.265 59.3238 -73.282 124.592 46.9292 -161.056 -179.549 -116.503 259.03 PRESSAVG: 4907600 -4.12337 9.22399 7.86647 9.22384 21.9735 19.5308 7.86646 19.5308 -23.8544 GPRESSAVG: 4907600 -3.39544 8.07064 8.33307 9.37808 21.9064 18.6467 7.19986 20.3322 -23.8619 TIMING: 4907600 CPU: 14263.2, 0.00289868/step Wall: 14263.2, 0.00289868/step, 0.0743994 hours remaining, 208.718750 MB of memory in use. ENERGY: 4907600 723.8553 2082.8475 1949.1063 112.8787 -206793.4906 18087.8201 0.0000 0.0000 34134.2201 -149702.7627 298.1026 -183836.9828 -149605.2339 297.8908 105.4763 136.0746 557481.2892 -2.0014 -1.7837 PRESSURE: 4907800 -11.4747 -154.069 -181.573 -154.067 -237.972 -81.976 -181.574 -81.9771 32.1093 GPRESSURE: 4907800 21.8575 -111.054 -129.661 -197.75 -226.073 -129.088 -144.731 -105.415 93.7606 PRESSAVG: 4907800 -29.7098 51.1411 -37.1793 51.141 3.63461 -5.01856 -37.1792 -5.01848 11.2953 GPRESSAVG: 4907800 -29.7724 51.141 -36.976 51.194 3.53672 -3.55088 -37.4682 -6.8739 11.9269 TIMING: 4907800 CPU: 14263.8, 0.00292683/step Wall: 14263.8, 0.00292683/step, 0.0749593 hours remaining, 208.718750 MB of memory in use. ENERGY: 4907800 728.6982 2051.7778 1965.2971 103.9653 -206294.7812 17661.6090 0.0000 0.0000 34076.9525 -149706.4813 297.6025 -183783.4338 -149610.3192 297.8485 -72.4458 -36.8183 556916.1891 -4.9266 -4.7696 PRESSURE: 4908000 24.4325 74.0121 159.856 74.012 -226.358 183.826 159.856 183.825 21.3532 GPRESSURE: 4908000 51.2134 156.023 73.6803 61.2709 -178.595 90.3629 135.328 207.323 48.9684 PRESSAVG: 4908000 3.40844 6.39158 -43.2251 6.39155 27.7802 -8.2423 -43.225 -8.24221 -45.0544 GPRESSAVG: 4908000 2.58567 7.25076 -45.1117 6.24667 27.8038 -11.378 -42.1484 -4.89064 -44.4412 TIMING: 4908000 CPU: 14264.3, 0.00287655/step Wall: 14264.3, 0.00287655/step, 0.0735119 hours remaining, 208.718750 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: 4908000 757.7307 2063.5223 1949.1789 104.3269 -206378.1362 17711.3483 0.0000 0.0000 34002.9892 -149789.0400 296.9566 -183792.0292 -149691.1797 297.2269 -60.1908 -26.1376 556201.0886 -4.6219 -4.6839 PRESSURE: 4908200 202.663 -36.2694 261.053 -36.2695 -39.5075 33.3221 261.053 33.3221 42.395 GPRESSURE: 4908200 219.653 -17.4846 307.58 -16.1518 43.3242 76.8131 159.34 -24.6606 44.77 PRESSAVG: 4908200 12.6803 15.8067 36.8523 15.8067 48.2538 -17.1793 36.8522 -17.1794 -18.3317 GPRESSAVG: 4908200 13.6059 15.7753 39.591 15.7514 48.701 -17.0679 33.8458 -18.1135 -19.6645 TIMING: 4908200 CPU: 14264.9, 0.00289666/step Wall: 14264.9, 0.00289666/step, 0.0738649 hours remaining, 208.718750 MB of memory in use. ENERGY: 4908200 717.9037 2139.8647 1914.4405 119.1521 -206628.6050 18043.9241 0.0000 0.0000 34159.4940 -149533.8258 298.3234 -183693.3198 -149442.9677 298.3204 68.5167 102.5824 557849.3462 14.2008 14.2141 LDB: ============= START OF LOAD BALANCING ============== 14268.4 LDB: ============== END OF LOAD BALANCING =============== 14268.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14268.4 LDB: ============= START OF LOAD BALANCING ============== 14268.7 LDB: Largest compute 4848 load 0.030989 is 26.3% of average load 0.117812 LDB: Average compute 0.001728 is 1.5% of average load 0.117812 LDB: TIME 14268.7 LOAD: AVG 0.117812 MAX 0.188863 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.562 MB LDB: TIME 14268.7 LOAD: AVG 0.117812 MAX 0.188863 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: TIME 14268.7 LOAD: AVG 0.117812 MAX 0.188863 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.562 MB LDB: ============== END OF LOAD BALANCING =============== 14268.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14268.7 PRESSURE: 4908400 303.91 78.4449 15.1242 78.4453 187.676 -19.8367 15.1247 -19.837 -64.1641 GPRESSURE: 4908400 265.893 46.0945 40.8458 126.422 273.574 -4.60925 59.6905 -21.3319 -6.71704 PRESSAVG: 4908400 -44.2458 26.0494 39.0889 26.0493 -43.1359 -24.2353 39.089 -24.2352 67.1024 GPRESSAVG: 4908400 -45.2595 25.7165 39.8335 25.7354 -42.231 -25.7072 40.8131 -22.5817 67.0931 TIMING: 4908400 CPU: 14265.5, 0.00298084/step Wall: 14265.5, 0.00298084/step, 0.0758457 hours remaining, 206.902344 MB of memory in use. ENERGY: 4908400 724.9077 2068.3351 1967.6379 123.9693 -206652.4391 18000.7308 0.0000 0.0000 34081.9523 -149684.9060 297.6462 -183766.8583 -149579.9452 298.2031 142.4739 177.5836 555538.0025 -6.7598 -6.7991 PRESSURE: 4908600 133.283 -54.8687 20.2484 -54.8687 -88.1965 114.944 20.2478 114.943 76.2989 GPRESSURE: 4908600 114.774 -85.0849 33.6227 -20.653 12.9587 -34.7073 18.2112 195.845 84.035 PRESSAVG: 4908600 35.5873 11.3103 34.3211 11.3103 5.90233 -51.5789 34.3212 -51.579 -9.19283 GPRESSAVG: 4908600 35.6827 10.902 32.1904 12.408 3.76474 -46.2405 33.9625 -53.4462 -7.82448 TIMING: 4908600 CPU: 14266.1, 0.00292361/step Wall: 14266.1, 0.00292361/step, 0.0742271 hours remaining, 207.046875 MB of memory in use. ENERGY: 4908600 718.0879 2110.6038 1970.7006 109.7674 -206570.4472 17867.5892 0.0000 0.0000 34048.6214 -149745.0769 297.3551 -183793.6983 -149656.4912 297.4175 40.4619 70.5894 556597.5454 10.7656 10.5410 PRESSURE: 4908800 4.40171 -109.683 60.1832 -109.682 -158.66 -94.0605 60.1835 -94.062 190.868 GPRESSURE: 4908800 55.8692 -57.7927 33.2498 -100.022 -170.708 -5.1081 -3.53027 -56.3045 248.032 PRESSAVG: 4908800 12.9601 48.0029 -32.5364 48.0029 2.68119 13.8382 -32.5363 13.8382 5.32874 GPRESSAVG: 4908800 12.9319 49.921 -31.6459 47.4913 3.45918 12.2394 -32.4842 13.8648 4.31985 TIMING: 4908800 CPU: 14266.7, 0.00291521/step Wall: 14266.7, 0.00291521/step, 0.0738521 hours remaining, 207.046875 MB of memory in use. ENERGY: 4908800 725.1897 2102.1270 1937.7973 125.9838 -206607.2256 17987.2569 0.0000 0.0000 34010.8842 -149717.9866 297.0255 -183728.8708 -149630.9107 298.2377 12.2035 44.3978 558957.3306 6.9900 6.9036 PRESSURE: 4909000 139.702 -5.20188 -5.02604 -5.2016 256.227 89.3048 -5.02542 89.306 -119.193 GPRESSURE: 4909000 210.153 -43.7342 -69.3864 -7.84471 293.331 128.429 35.7579 24.9101 -136.631 PRESSAVG: 4909000 -32.4293 -14.4302 -2.36587 -14.4302 -39.5583 28.0375 -2.36587 28.0375 58.5399 GPRESSAVG: 4909000 -33.2623 -15.2838 -4.42505 -14.1839 -39.4514 27.4703 -2.08585 29.4096 59.2531 TIMING: 4909000 CPU: 14267.3, 0.00293009/step Wall: 14267.3, 0.00293009/step, 0.0740662 hours remaining, 207.046875 MB of memory in use. ENERGY: 4909000 738.1896 2156.1658 1945.2384 110.5965 -206312.6815 17639.2227 0.0000 0.0000 34062.8129 -149660.4555 297.4790 -183723.2685 -149559.9582 297.8154 92.2454 122.2844 555592.8247 -4.4826 -4.4869 PRESSURE: 4909200 46.2699 42.7468 -51.2041 42.7478 43.284 -82.4856 -51.204 -82.4862 -183.514 GPRESSURE: 4909200 108.882 48.7079 -114.641 6.8085 60.9652 -32.286 6.10983 -39.3843 -152.584 PRESSAVG: 4909200 -46.4466 49.307 -19.2772 49.307 -37.9333 21.3252 -19.2772 21.3251 87.5123 GPRESSAVG: 4909200 -46.1518 48.7095 -17.0827 49.6151 -37.5564 20.0314 -20.0257 20.2639 87.4054 TIMING: 4909200 CPU: 14267.8, 0.00290344/step Wall: 14267.8, 0.00290344/step, 0.0732312 hours remaining, 207.046875 MB of memory in use. ENERGY: 4909200 768.1122 2142.3254 1939.0753 113.4183 -206849.5262 17868.8054 0.0000 0.0000 34328.7522 -149689.0376 299.8015 -184017.7898 -149603.7032 297.7796 -31.3200 5.7544 555712.2908 1.0441 1.2324 PRESSURE: 4909400 -168.57 -92.3962 -5.91139 -92.3954 89.1899 -59.2492 -5.9119 -59.2487 34.7527 GPRESSURE: 4909400 -78.6146 -108.548 -45.7907 -116.835 70.2339 -149.018 10.0546 -38.6869 57.5208 PRESSAVG: 4909400 -0.59864 -13.4999 24.5723 -13.4999 -33.687 -35.9828 24.5723 -35.9828 -17.6011 GPRESSAVG: 4909400 -0.0422464 -13.6868 24.4364 -14.5403 -35.0571 -35.1855 25.8347 -34.2341 -17.0854 TIMING: 4909400 CPU: 14268.4, 0.00291768/step Wall: 14268.4, 0.00291768/step, 0.0734284 hours remaining, 207.046875 MB of memory in use. ENERGY: 4909400 730.9681 2134.9432 1919.9867 105.6201 -206347.0285 17759.2022 0.0000 0.0000 33985.3964 -149710.9119 296.8029 -183696.3083 -149609.5354 297.4879 -14.8758 16.3800 556318.8935 -17.2956 -17.3949 PRESSURE: 4909600 23.8993 31.8821 23.1369 31.8819 155.186 -41.2149 23.1376 -41.2155 -372.642 GPRESSURE: 4909600 77.7122 -7.47154 -30.7874 86.6823 131.148 25.1631 23.1348 -106.52 -291.434 PRESSAVG: 4909600 66.4841 51.3135 17.8938 51.3136 -47.8625 29.335 17.8938 29.3349 -7.24263 GPRESSAVG: 4909600 65.7788 51.9089 16.8655 50.8207 -46.5715 30.5076 18.8113 26.4332 -7.38101 TIMING: 4909600 CPU: 14269, 0.00292055/step Wall: 14269, 0.00292055/step, 0.0733382 hours remaining, 207.046875 MB of memory in use. ENERGY: 4909600 763.5474 2166.9720 1959.7361 108.2650 -206410.2426 17728.5369 0.0000 0.0000 34130.6698 -149552.5154 298.0716 -183683.1853 -149458.7645 297.7192 -64.5186 -27.5247 555898.1727 3.7930 3.9421 PRESSURE: 4909800 127.293 53.4962 69.2218 53.4965 70.2447 97.156 69.2211 97.1559 46.4354 GPRESSURE: 4909800 207.978 -4.12635 171.816 -11.4352 100.472 91.2289 8.13063 64.8299 29.9544 PRESSAVG: 4909800 39.3136 23.5434 10.7226 23.5434 59.7801 16.4044 10.7225 16.4044 -84.0066 GPRESSAVG: 4909800 39.1827 22.1076 11.3524 25.4107 59.9806 13.1006 9.07834 16.9753 -84.3147 TIMING: 4909800 CPU: 14269.6, 0.00291371/step Wall: 14269.6, 0.00291371/step, 0.0730045 hours remaining, 207.046875 MB of memory in use. ENERGY: 4909800 746.9253 2111.5977 1954.6873 110.1963 -206450.5537 17931.4795 0.0000 0.0000 34231.2737 -149364.3937 298.9502 -183595.6675 -149272.5818 298.8688 81.3243 112.8013 556324.9973 5.0290 4.9495 PRESSURE: 4910000 -112.347 -40.2203 -135.68 -40.2185 146.709 68.7004 -135.681 68.7007 -19.8048 GPRESSURE: 4910000 -78.7881 -39.6546 -185.665 6.56242 176.64 -13.0317 -66.0665 77.6648 24.829 PRESSAVG: 4910000 -18.2701 -13.5946 -45.7285 -13.5946 43.4675 27.2483 -45.7286 27.2484 -17.6953 GPRESSAVG: 4910000 -17.0179 -9.33931 -47.5561 -15.3017 43.6202 29.4196 -45.1015 26.3393 -18.4993 TIMING: 4910000 CPU: 14270.2, 0.00293623/step Wall: 14270.2, 0.00293623/step, 0.0734057 hours remaining, 207.046875 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: 4910000 769.0552 2124.4426 1966.4832 106.8425 -206253.8244 17848.5063 0.0000 0.0000 34151.8188 -149286.6757 298.2563 -183438.4945 -149191.2937 299.1686 4.8524 40.8935 556534.9161 2.5007 2.7010 PRESSURE: 4910200 -281.114 33.092 52.2475 33.0917 -23.6255 75.8193 52.2479 75.819 -146.537 GPRESSURE: 4910200 -243.432 -20.5758 -19.795 14.1832 -68.9749 -1.194 96.8153 144.269 -51.584 PRESSAVG: 4910200 40.8282 43.2013 -52.3728 43.2012 -14.4409 25.8315 -52.3727 25.8314 -21.0086 GPRESSAVG: 4910200 39.7499 38.0989 -51.738 44.1953 -14.3795 23.6582 -52.8401 28.4366 -20.2345 TIMING: 4910200 CPU: 14270.8, 0.00293761/step Wall: 14270.8, 0.00293761/step, 0.0732769 hours remaining, 207.046875 MB of memory in use. ENERGY: 4910200 765.2677 2072.2338 1955.5029 119.0504 -205844.0014 17600.4463 0.0000 0.0000 34122.8247 -149208.6756 298.0031 -183331.5003 -149109.9504 299.3251 -150.4255 -121.3303 557407.7773 1.7929 1.7120 PRESSURE: 4910400 86.4583 211.673 -148.057 211.673 -190.506 -39.6936 -148.058 -39.6955 -16.6797 GPRESSURE: 4910400 66.1716 192.527 -193.983 134.225 -140.301 -54.3674 -156.688 -37.886 68.878 PRESSAVG: 4910400 -20.8363 40.7687 6.23736 40.7687 11.8792 -56.922 6.23732 -56.9221 27.2518 GPRESSAVG: 4910400 -19.5303 42.5762 6.25623 41.5545 9.41424 -54.1861 5.9537 -60.8775 28.3172 TIMING: 4910400 CPU: 14271.4, 0.00294515/step Wall: 14271.4, 0.00294515/step, 0.0733016 hours remaining, 207.046875 MB of memory in use. ENERGY: 4910400 800.1218 2095.2231 1965.9692 116.1514 -206032.2758 17682.5673 0.0000 0.0000 34422.2601 -148949.9829 300.6182 -183372.2431 -148857.5374 299.5663 -40.2424 -1.7505 556523.3607 6.0982 6.0671 PRESSURE: 4910600 -60.2192 133.03 223.439 133.029 -73.3346 18.0156 223.44 18.0147 15.3852 GPRESSURE: 4910600 -60.7466 151.249 217.823 97.1351 -44.8209 -66.4403 199.263 60.5829 80.3457 PRESSAVG: 4910600 -59.5765 -9.16813 -3.56962 -9.16826 9.40364 -4.61228 -3.56966 -4.61227 41.0165 GPRESSAVG: 4910600 -60.438 -9.93517 -2.46978 -8.03282 10.6453 -5.70925 -3.31769 -2.50307 40.2097 TIMING: 4910600 CPU: 14271.9, 0.00291962/step Wall: 14271.9, 0.00291962/step, 0.072504 hours remaining, 207.046875 MB of memory in use. ENERGY: 4910600 732.4431 2072.1970 1947.2053 116.8699 -206235.9676 17858.5844 0.0000 0.0000 34430.2948 -149078.3730 300.6883 -183508.6678 -148980.3448 300.2825 -39.3895 -8.4073 558170.8390 -3.0521 -3.1944 PRESSURE: 4910800 -286.395 -242.329 91.2895 -242.329 150.311 -33.7989 91.2878 -33.8006 15.3881 GPRESSURE: 4910800 -245.482 -182.4 174.49 -260.793 201.633 3.16367 81.6442 1.70531 26.2617 PRESSAVG: 4910800 37.6631 32.0869 -29.4797 32.0868 25.2092 -13.0899 -29.4797 -13.09 -96.2246 GPRESSAVG: 4910800 38.0279 32.4441 -29.4555 32.516 25.8814 -10.1425 -29.7106 -15.8031 -97.0126 TIMING: 4910800 CPU: 14272.5, 0.00292577/step Wall: 14272.5, 0.00292577/step, 0.0724941 hours remaining, 207.046875 MB of memory in use. ENERGY: 4910800 769.0499 2073.4977 1954.1044 121.1753 -206240.6553 17943.7399 0.0000 0.0000 34490.1840 -148888.9041 301.2114 -183379.0882 -148791.4462 299.4555 -40.2319 -5.8625 558995.8848 -11.1175 -11.0345 PRESSURE: 4911000 -161.729 -18.0484 27.7461 -18.0481 54.0154 24.3838 27.7459 24.3815 -138.955 GPRESSURE: 4911000 -152.533 18.1083 -18.8408 -49.4335 107.039 26.8733 70.6913 -30.42 -89.9056 PRESSAVG: 4911000 7.3815 -29.6571 27.8262 -29.6571 15.3082 -17.7993 27.8261 -17.7994 2.59179 GPRESSAVG: 4911000 8.39597 -26.6586 26.0536 -32.6993 14.2475 -20.3339 29.6143 -16.9006 2.66387 TIMING: 4911000 CPU: 14273.1, 0.00290407/step Wall: 14273.1, 0.00290407/step, 0.071795 hours remaining, 207.046875 MB of memory in use. ENERGY: 4911000 755.0005 2050.7345 1996.9129 128.1988 -205749.5403 17682.9424 0.0000 0.0000 34263.1894 -148872.5617 299.2290 -183135.7511 -148779.9275 300.1887 -82.2229 -45.1333 557508.9985 8.4272 8.4358 PRESSURE: 4911200 158.68 1.4962 -37.3038 1.49769 122.853 -8.44132 -37.3042 -8.44218 72.7103 GPRESSURE: 4911200 94.3382 -54.8598 -41.327 79.0609 246.824 17.0199 -66.6316 -71.4456 100.958 PRESSAVG: 4911200 18.0536 14.518 -56.1816 14.5181 -13.004 5.77197 -56.1816 5.772 -19.4649 GPRESSAVG: 4911200 16.9522 12.243 -55.3843 16.2062 -12.909 6.61257 -59.0546 5.69886 -18.4075 TIMING: 4911200 CPU: 14273.7, 0.00291008/step Wall: 14273.7, 0.00291008/step, 0.071782 hours remaining, 207.117188 MB of memory in use. ENERGY: 4911200 748.0348 2088.6974 1948.8990 98.7955 -206024.4241 17913.8308 0.0000 0.0000 34492.9560 -148733.2107 301.2356 -183226.1666 -148637.4952 299.4482 118.0811 147.3734 558049.8679 -4.8051 -4.7881 PRESSURE: 4911400 -310.075 -78.1041 15.9796 -78.1042 -164.347 -91.2426 15.98 -91.2416 -84.309 GPRESSURE: 4911400 -293.024 -70.8416 1.36359 -22.623 -172.914 -16.5775 -16.1024 -159.37 17.5151 PRESSAVG: 4911400 47.9297 -35.4613 56.8597 -35.4614 -54.0516 9.36693 56.8598 9.36696 14.9432 GPRESSAVG: 4911400 48.4089 -33.9872 56.2084 -35.7625 -54.1664 8.66941 57.6795 10.6131 14.1835 TIMING: 4911400 CPU: 14274.3, 0.0029286/step Wall: 14274.3, 0.0029286/step, 0.072076 hours remaining, 207.117188 MB of memory in use. ENERGY: 4911400 749.3590 2063.1955 1991.0295 123.2540 -205540.2597 17453.0522 0.0000 0.0000 34390.5943 -148769.7751 300.3416 -183160.3695 -148669.1994 300.8562 -186.2437 -149.4745 557359.6776 2.9404 2.8087 PRESSURE: 4911600 255.056 -72.8416 -43.8888 -72.8412 252.375 25.778 -43.8892 25.7792 11.6303 GPRESSURE: 4911600 313.04 -58.3315 -63.4372 -12.0295 298.601 136.131 39.6266 -37.1741 4.10491 PRESSAVG: 4911600 36.7725 -78.78 22.1888 -78.78 16.5811 1.58833 22.1888 1.58815 -25.4136 GPRESSAVG: 4911600 37.8938 -78.8106 21.7586 -80.6981 15.9343 1.8979 21.1214 1.15417 -25.5359 TIMING: 4911600 CPU: 14274.9, 0.0029263/step Wall: 14274.9, 0.0029263/step, 0.071857 hours remaining, 207.117188 MB of memory in use. ENERGY: 4911600 729.2564 2110.4846 1957.4946 123.5204 -206005.5837 17852.6502 0.0000 0.0000 34385.2320 -148846.9453 300.2948 -183232.1774 -148752.1853 300.6000 173.0206 205.2485 555409.5753 9.3133 9.4308 PRESSURE: 4911800 36.089 31.5679 -25.4781 31.568 145.612 -190.268 -25.4788 -190.267 -25.7414 GPRESSURE: 4911800 80.3996 78.9601 -43.1134 3.38695 165.343 -277.694 -28.2717 -178.271 -9.21593 PRESSAVG: 4911800 58.0216 -11.8199 3.66796 -11.8199 3.6481 -84.7962 3.66803 -84.7963 -67.0992 GPRESSAVG: 4911800 55.3709 -13.6461 3.44271 -10.3729 3.95018 -84.4554 4.40532 -85.2507 -66.0286 TIMING: 4911800 CPU: 14275.5, 0.00292087/step Wall: 14275.5, 0.00292087/step, 0.0715614 hours remaining, 207.117188 MB of memory in use. ENERGY: 4911800 770.2716 2089.8498 1946.0602 112.7275 -206046.8360 17796.0157 0.0000 0.0000 34313.4046 -149018.5067 299.6675 -183331.9112 -148928.2501 299.8943 51.9865 78.8420 556336.8219 -1.8098 -2.2359 PRESSURE: 4912000 -243.145 -140.868 -7.57054 -140.869 176.507 -21.2504 -7.57006 -21.2502 232.544 GPRESSURE: 4912000 -174.447 -139.622 22.4897 -97.4105 230.523 -78.1311 -33.5822 -65.7409 217.269 PRESSAVG: 4912000 7.81789 -20.6933 26.2737 -20.6933 -23.5193 -56.8645 26.2738 -56.8645 -12.11 GPRESSAVG: 4912000 9.76891 -20.9621 27.4958 -21.1447 -23.6309 -54.2214 26.086 -55.5472 -13.4379 TIMING: 4912000 CPU: 14276, 0.002925/step Wall: 14276, 0.002925/step, 0.0715001 hours remaining, 207.117188 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: 4912000 704.2032 2104.0994 1947.8703 113.6526 -206234.3747 17914.8727 0.0000 0.0000 34371.7248 -149077.9517 300.1768 -183449.6765 -148982.5521 299.8656 55.3021 91.1149 557349.7052 -9.2705 -9.1000 PRESSURE: 4912200 -68.6629 -7.36688 -18.2473 -7.36701 204.995 47.0127 -18.2449 47.013 27.4768 GPRESSURE: 4912200 -33.6386 -45.3512 6.27097 13.2011 224.336 49.611 -78.9898 127.432 75.0065 PRESSAVG: 4912200 -85.3256 -32.3607 41.6276 -32.3607 70.6438 -0.40712 41.6276 -0.406998 9.41229 GPRESSAVG: 4912200 -86.3535 -31.0151 40.7276 -32.1343 71.4696 -1.84087 42.1004 -2.46813 10.0276 TIMING: 4912200 CPU: 14276.6, 0.00292503/step Wall: 14276.6, 0.00292503/step, 0.0713382 hours remaining, 207.117188 MB of memory in use. ENERGY: 4912200 755.1278 2117.2794 1947.9183 115.4652 -205873.4488 17732.9071 0.0000 0.0000 34294.3957 -148910.3552 299.5015 -183204.7510 -148816.3145 300.6664 54.6030 88.5681 557177.5027 -1.7565 -1.6188 LDB: ============= START OF LOAD BALANCING ============== 14280.1 LDB: ============== END OF LOAD BALANCING =============== 14280.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14280.1 LDB: ============= START OF LOAD BALANCING ============== 14280.4 LDB: Largest compute 4848 load 0.031583 is 26.8% of average load 0.117773 LDB: Average compute 0.001737 is 1.5% of average load 0.117773 LDB: TIME 14280.4 LOAD: AVG 0.117773 MAX 0.190197 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 14280.4 LOAD: AVG 0.117773 MAX 0.190197 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.457 MB LDB: TIME 14280.4 LOAD: AVG 0.117773 MAX 0.190197 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14280.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14280.4 PRESSURE: 4912400 140.272 146.024 65.9401 146.024 70.1932 -201.514 65.9389 -201.514 91.8708 GPRESSURE: 4912400 213.772 131.051 -9.34649 158.172 89.3332 -224.037 13.0282 -151.688 99.1778 PRESSAVG: 4912400 -66.9387 8.68572 56.4792 8.68567 59.3133 -38.2491 56.4793 -38.2491 0.64718 GPRESSAVG: 4912400 -66.4726 9.79537 56.7806 8.40161 59.1754 -38.3102 55.1226 -37.8838 1.07442 TIMING: 4912400 CPU: 14277.2, 0.00299537/step Wall: 14277.2, 0.00299537/step, 0.0728873 hours remaining, 207.355469 MB of memory in use. ENERGY: 4912400 712.2892 2157.4960 1971.1862 111.3048 -205747.6121 17765.8647 0.0000 0.0000 34114.5955 -148914.8757 297.9312 -183029.4712 -148818.0212 300.1471 100.7788 134.0943 557608.2376 -2.3261 -2.0742 PRESSURE: 4912600 -90.8541 63.859 -85.3888 63.8597 -82.2626 -72.9326 -85.3886 -72.9336 -60.5966 GPRESSURE: 4912600 2.81076 100.022 -125.956 104.388 -122.296 -42.3112 -111.82 -113.908 -33.9078 PRESSAVG: 4912600 -52.7602 -13.0948 -6.23569 -13.0949 2.90304 10.8862 -6.23571 10.8862 33.2503 GPRESSAVG: 4912600 -52.3605 -14.4852 -5.85335 -12.2285 3.13466 9.62277 -4.8956 11.6524 32.7069 TIMING: 4912600 CPU: 14277.8, 0.00292066/step Wall: 14277.8, 0.00292066/step, 0.0709071 hours remaining, 207.355469 MB of memory in use. ENERGY: 4912600 754.3040 2122.8435 1967.7754 106.0769 -205991.8787 17547.3076 0.0000 0.0000 34616.9853 -148876.5859 302.3187 -183493.5713 -148777.7612 300.4316 -77.9044 -51.1309 556375.1612 -5.5356 -5.5063 PRESSURE: 4912800 173.926 -19.0705 -72.399 -19.0701 -78.4347 1.18033 -72.3995 1.18022 -82.7014 GPRESSURE: 4912800 242.095 -71.7678 -44.0262 11.5968 -52.1807 -56.6087 -39.6743 28.8326 -74.6339 PRESSAVG: 4912800 80.6388 -2.01404 -44.5056 -2.01407 -50.9462 2.47809 -44.5056 2.47806 -26.9968 GPRESSAVG: 4912800 80.5143 -1.6191 -43.8797 -3.06292 -51.1177 3.43367 -43.5561 1.95498 -26.5532 TIMING: 4912800 CPU: 14278.4, 0.0029261/step Wall: 14278.4, 0.0029261/step, 0.0708767 hours remaining, 207.355469 MB of memory in use. ENERGY: 4912800 743.9929 2089.5876 1950.5987 121.6023 -206073.5070 17545.4738 0.0000 0.0000 34578.0589 -149044.1928 301.9788 -183622.2517 -148944.7256 301.2128 4.2634 38.4270 555858.3924 0.8986 0.9478 PRESSURE: 4913000 -293.218 10.2764 24.8076 10.2764 -393.482 -92.4875 24.8064 -92.4881 -321.963 GPRESSURE: 4913000 -254.631 -29.1619 29.3171 -12.4444 -385.645 -114.435 -57.6379 -136.828 -277.857 PRESSAVG: 4913000 29.9642 12.1813 -12.616 12.1813 -4.33995 -54.2316 -12.6159 -54.2316 16.3515 GPRESSAVG: 4913000 29.7036 13.6184 -12.867 11.0939 -3.77443 -53.995 -14.5279 -55.2537 15.9175 TIMING: 4913000 CPU: 14279, 0.0029243/step Wall: 14279, 0.0029243/step, 0.0706706 hours remaining, 207.355469 MB of memory in use. ENERGY: 4913000 762.7541 2074.4001 1946.4263 124.8595 -205452.2262 17152.3625 0.0000 0.0000 34360.2676 -149031.1561 300.0768 -183391.4237 -148932.5112 299.9628 -336.2207 -306.0441 557405.8157 13.9919 13.9489 PRESSURE: 4913200 -250.392 138.092 36.7653 138.093 33.0946 -35.5218 36.7664 -35.5209 -171.543 GPRESSURE: 4913200 -221.014 75.0764 14.5573 264.655 34.3102 -27.5298 77.1761 20.1334 -109.044 PRESSAVG: 4913200 0.755439 63.999 -63.631 63.9991 20.798 8.6425 -63.631 8.64245 -11.6067 GPRESSAVG: 4913200 1.3613 63.1816 -64.2604 66.2414 19.4279 8.83989 -64.3288 8.78611 -10.573 TIMING: 4913200 CPU: 14279.6, 0.00293727/step Wall: 14279.6, 0.00293727/step, 0.0708209 hours remaining, 207.355469 MB of memory in use. ENERGY: 4913200 737.0887 2124.8834 1949.5681 115.9471 -205953.1833 17551.0714 0.0000 0.0000 34369.1362 -149105.4885 300.1542 -183474.6247 -149005.5587 299.9630 -129.6135 -98.5825 558376.1032 3.3156 3.4054 PRESSURE: 4913400 354.812 91.7735 -111.317 91.7748 195.803 88.0695 -111.316 88.0708 162.452 GPRESSURE: 4913400 339.452 116.999 -134.817 72.1152 260.58 9.69882 -96.1724 157.553 209.493 PRESSAVG: 4913400 -19.9473 60.8811 -56.1967 60.8811 22.7397 -6.01327 -56.1967 -6.01321 -45.066 GPRESSAVG: 4913400 -20.6162 60.3487 -57.4116 60.3564 23.0669 -6.36509 -53.9236 -4.5605 -45.1863 TIMING: 4913400 CPU: 14280.1, 0.00291401/step Wall: 14280.1, 0.00291401/step, 0.070098 hours remaining, 207.355469 MB of memory in use. ENERGY: 4913400 725.1503 2095.7056 1975.7431 128.3714 -206347.3047 18171.2215 0.0000 0.0000 34309.3611 -148941.7518 299.6322 -183251.1129 -148849.8395 300.2125 237.6892 269.8415 556747.9995 -14.0912 -14.2452 PRESSURE: 4913600 28.0405 -184.686 59.0685 -184.685 -54.7336 94.2587 59.0676 94.2584 -302.095 GPRESSURE: 4913600 72.9256 -260.645 42.3657 -152.299 -33.7127 61.7466 52.013 16.0567 -272.301 PRESSAVG: 4913600 -6.70512 5.9906 -44.7744 5.99063 25.7986 47.8379 -44.7744 47.8379 -1.91609 GPRESSAVG: 4913600 -6.31841 8.14161 -44.7632 5.17808 25.0641 47.4969 -43.9668 47.3659 -1.49765 TIMING: 4913600 CPU: 14280.7, 0.0029325/step Wall: 14280.7, 0.0029325/step, 0.07038 hours remaining, 207.355469 MB of memory in use. ENERGY: 4913600 728.3540 2147.1400 1981.0067 106.9685 -205985.6759 17631.9152 0.0000 0.0000 34360.9565 -149029.3348 300.0828 -183390.2914 -148934.9584 299.6462 -109.5961 -77.6961 558063.3255 5.7258 5.7494 PRESSURE: 4913800 193.812 152.952 8.41714 152.951 -89.9751 189.29 8.41656 189.289 -54.3353 GPRESSURE: 4913800 209.929 126.004 -26.755 34.2223 -107.791 166.174 -110.453 143.536 20.3499 PRESSAVG: 4913800 67.189 8.9811 -9.96283 8.98114 -46.9234 55.8495 -9.96281 55.8494 -52.5036 GPRESSAVG: 4913800 67.4148 5.6123 -8.63495 11.485 -45.4423 56.2019 -11.161 55.6729 -54.0686 TIMING: 4913800 CPU: 14281.3, 0.0029382/step Wall: 14281.3, 0.0029382/step, 0.0703537 hours remaining, 207.355469 MB of memory in use. ENERGY: 4913800 770.1311 2058.0531 1961.3669 113.5026 -205823.6405 17734.3330 0.0000 0.0000 33949.2903 -149236.9635 296.4876 -183186.2537 -149146.0684 298.7989 16.5006 40.8294 555977.3312 -10.7460 -10.6987 PRESSURE: 4914000 103.792 96.7157 -33.0024 96.7164 -52.6747 77.4334 -33.0016 77.434 -28.743 GPRESSURE: 4914000 178.397 167.441 -113.472 14.1548 -43.6946 151.207 -13.1458 39.3922 8.63986 PRESSAVG: 4914000 18.7681 50.7294 -20.2564 50.7294 -37.8586 33.4288 -20.2564 33.4288 17.6053 GPRESSAVG: 4914000 18.4363 51.813 -22.5923 49.9005 -39.0163 33.4647 -19.4006 34.7634 18.9858 TIMING: 4914000 CPU: 14281.9, 0.00292631/step Wall: 14281.9, 0.00292631/step, 0.0699064 hours remaining, 207.355469 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: 4914000 717.1925 2036.0478 1954.2501 108.0337 -206337.2999 17808.4217 0.0000 0.0000 34363.2644 -149350.0897 300.1029 -183713.3541 -149254.0604 299.1268 7.4582 47.7807 555900.8058 -0.4950 -0.5314 PRESSURE: 4914200 124.361 -32.0778 229.718 -32.0774 -176.074 133.682 229.718 133.683 154.241 GPRESSURE: 4914200 196.463 -49.3071 210.557 -31.4002 -147.72 84.2173 217.843 201.37 148.273 PRESSAVG: 4914200 17.491 -17.4773 34.5187 -17.4773 -17.7411 30.1514 34.5187 30.1514 -15.3914 GPRESSAVG: 4914200 18.8784 -16.938 35.6904 -19.976 -17.3718 28.473 33.9862 29.5676 -16.5971 TIMING: 4914200 CPU: 14282.5, 0.00293329/step Wall: 14282.5, 0.00293329/step, 0.0699101 hours remaining, 207.355469 MB of memory in use. ENERGY: 4914200 777.8630 2064.7553 1977.0591 112.7133 -206713.4516 18073.7718 0.0000 0.0000 34313.5038 -149393.7853 299.6684 -183707.2891 -149296.4869 299.4008 34.1759 65.6718 555269.1669 -5.2138 -5.0302 PRESSURE: 4914400 30.1687 -64.27 313.648 -64.2691 -98.9693 50.6018 313.648 50.602 -139.231 GPRESSURE: 4914400 43.5635 -194.648 391.536 -4.75099 -73.4671 152.698 267.944 -36.2844 -81.4748 PRESSAVG: 4914400 23.2705 32.3752 46.884 32.3752 16.7262 41.974 46.884 41.9738 2.61465 GPRESSAVG: 4914400 21.9624 35.0714 48.3616 33.5655 17.1283 41.6635 45.8043 42.4755 3.75612 TIMING: 4914400 CPU: 14283.1, 0.00293723/step Wall: 14283.1, 0.00293723/step, 0.0698407 hours remaining, 207.355469 MB of memory in use. ENERGY: 4914400 763.5658 2069.3350 1978.9798 108.0858 -206425.6339 17921.2456 0.0000 0.0000 34114.2438 -149470.1781 297.9282 -183584.4219 -149374.1525 298.6873 -69.3437 -37.1261 556699.3878 14.2038 14.2823 PRESSURE: 4914600 57.2735 135.491 34.1672 135.49 -6.34975 31.8974 34.1672 31.8968 -217.163 GPRESSURE: 4914600 64.7315 99.2337 -12.5902 202.598 107.646 89.718 37.5153 73.0009 -217.831 PRESSAVG: 4914600 -11.4298 45.07 41.6489 45.0699 -20.0241 57.8336 41.6489 57.8337 39.7357 GPRESSAVG: 4914600 -11.0876 41.1774 40.9598 45.8164 -19.6997 59.5217 43.1704 57.3282 39.6004 TIMING: 4914600 CPU: 14283.7, 0.00290509/step Wall: 14283.7, 0.00290509/step, 0.0689153 hours remaining, 207.355469 MB of memory in use. ENERGY: 4914600 756.0516 2084.2746 1920.4684 119.9258 -206340.8995 17553.2595 0.0000 0.0000 34292.7324 -149614.1871 299.4870 -183906.9195 -149517.3598 298.9310 -55.4130 -15.1512 554951.9249 2.7606 2.9377 PRESSURE: 4914800 219.472 -60.9849 -98.4547 -60.9843 161.478 101.277 -98.4557 101.276 272.175 GPRESSURE: 4914800 276.599 -56.321 -10.5723 3.70178 199.715 60.2586 -39.285 127.732 272.221 PRESSAVG: 4914800 3.24705 -24.0527 -40.2836 -24.0527 -28.3577 30.0577 -40.2835 30.0576 44.153 GPRESSAVG: 4914800 3.72324 -24.0209 -41.1004 -23.2742 -29.5376 30.6419 -40.0521 31.1878 44.4727 TIMING: 4914800 CPU: 14284.2, 0.00294546/step Wall: 14284.2, 0.00294546/step, 0.0697092 hours remaining, 207.355469 MB of memory in use. ENERGY: 4914800 738.1875 2079.1233 1949.6060 113.1220 -206615.3464 18062.6095 0.0000 0.0000 34085.2637 -149587.4344 297.6751 -183672.6981 -149490.4930 299.0389 217.7083 249.5117 556204.2751 6.3474 6.2194 PRESSURE: 4915000 258.199 -182.336 -41.1533 -182.337 -107.589 -78.5035 -41.1551 -78.5035 109.82 GPRESSURE: 4915000 259.498 -92.8818 -56.5917 -155.597 -55.9667 0.127108 -89.9712 -90.5545 156.6 PRESSAVG: 4915000 -9.06711 -2.327 -5.61374 -2.32701 -16.4772 -12.4908 -5.6138 -12.4907 37.7248 GPRESSAVG: 4915000 -9.65347 -1.52986 -4.43515 -3.14399 -16.3763 -13.4004 -6.77671 -13.3823 37.6928 TIMING: 4915000 CPU: 14284.8, 0.00292848/step Wall: 14284.8, 0.00292848/step, 0.0691447 hours remaining, 207.355469 MB of memory in use. ENERGY: 4915000 791.3698 2116.9129 1955.7028 108.6099 -206688.7911 18045.8167 0.0000 0.0000 34278.2862 -149392.0928 299.3608 -183670.3790 -149296.3089 298.8661 86.8096 120.0439 556872.6351 4.0602 3.8877 PRESSURE: 4915200 123.361 -37.8273 121.275 -37.8276 -24.7981 -50.5582 121.276 -50.5584 -74.7833 GPRESSURE: 4915200 158.542 -92.9055 84.5851 27.1305 8.56972 -61.2432 83.0673 -41.8699 -43.3079 PRESSAVG: 4915200 -67.5939 3.58183 -14.3968 3.58176 37.5209 45.7416 -14.3967 45.7415 52.5512 GPRESSAVG: 4915200 -67.307 4.04305 -16.1227 3.08309 37.4896 46.9951 -12.8248 45.5793 52.2029 TIMING: 4915200 CPU: 14285.4, 0.00291116/step Wall: 14285.4, 0.00291116/step, 0.068574 hours remaining, 207.355469 MB of memory in use. ENERGY: 4915200 736.8401 2113.1726 1968.0808 125.7409 -206039.5167 17655.5292 0.0000 0.0000 34164.8605 -149275.2925 298.3702 -183440.1530 -149187.1174 298.9717 7.9265 41.2679 556734.6014 7.4927 7.4618 PRESSURE: 4915400 23.4645 -6.3931 57.9784 -6.39238 -64.2198 -37.5691 57.979 -37.5686 -166.465 GPRESSURE: 4915400 11.5335 59.4647 80.6727 -45.3068 -32.7366 -43.2331 101.773 -7.35971 -100.022 PRESSAVG: 4915400 68.4858 23.971 -11.762 23.971 -32.4016 -5.88265 -11.7619 -5.88275 -14.0152 GPRESSAVG: 4915400 68.3786 23.0452 -11.2972 25.1264 -31.7682 -8.51363 -12.9999 -4.65134 -14.3936 TIMING: 4915400 CPU: 14286, 0.00292097/step Wall: 14286, 0.00292097/step, 0.0686428 hours remaining, 207.355469 MB of memory in use. ENERGY: 4915400 775.8222 2065.9831 1992.2036 129.2943 -206176.2087 17632.2741 0.0000 0.0000 34297.3077 -149283.3236 299.5269 -183580.6313 -149191.7508 298.9288 -69.0734 -40.4084 556198.1979 7.3563 7.4056 PRESSURE: 4915600 -240.375 -58.0965 35.6766 -58.0963 -242.374 98.1802 35.6767 98.1802 -229.368 GPRESSURE: 4915600 -188.903 -85.8583 22.1454 -94.2625 -191.75 99.5296 162.345 112.803 -234.919 PRESSAVG: 4915600 3.57545 35.8298 15.3714 35.8298 -7.42943 44.2204 15.3714 44.2205 -28.5774 GPRESSAVG: 4915600 3.88578 36.9716 15.6211 34.7393 -6.96613 45.8132 15.592 43.2242 -28.8953 TIMING: 4915600 CPU: 14286.6, 0.00292166/step Wall: 14286.6, 0.00292166/step, 0.0684967 hours remaining, 207.355469 MB of memory in use. ENERGY: 4915600 753.7582 2064.5167 1944.2899 120.7333 -205821.7805 17467.4957 0.0000 0.0000 34206.1956 -149264.7911 298.7312 -183470.9867 -149169.2165 299.0800 -237.3722 -205.1905 558874.7847 -10.8105 -10.6586 PRESSURE: 4915800 -108.272 -19.8024 -29.171 -19.8025 -4.02736 37.9676 -29.171 37.967 -203.64 GPRESSURE: 4915800 -129.689 58.8016 -130.671 -10.651 40.5611 22.2258 -14.0497 13.8452 -127.759 PRESSAVG: 4915800 -14.9469 1.02063 25.0273 1.02069 -9.323 31.9888 25.0273 31.9889 15.0006 GPRESSAVG: 4915800 -15.3205 0.730432 25.1405 1.85354 -10.0326 32.0253 26.2595 31.9524 16.1559 TIMING: 4915800 CPU: 14287.2, 0.00290676/step Wall: 14287.2, 0.00290676/step, 0.0679858 hours remaining, 207.355469 MB of memory in use. ENERGY: 4915800 772.5745 2061.9137 1952.3655 101.1427 -206229.9758 17628.4680 0.0000 0.0000 34517.7355 -149195.7759 301.4520 -183713.5114 -149100.8232 299.5752 -105.3132 -72.2956 557540.6348 -3.0898 -3.0657 PRESSURE: 4916000 -228.903 -102.168 -59.3586 -102.167 -54.4936 65.1582 -59.3593 65.1584 109.14 GPRESSURE: 4916000 -206.351 -72.516 -4.91685 -109.91 -43.2434 80.4774 -151.92 72.3507 165.592 PRESSAVG: 4916000 -28.9869 44.7066 23.7912 44.7066 -85.5053 -4.45036 23.7912 -4.4503 72.1243 GPRESSAVG: 4916000 -30.3559 43.9296 24.7059 46.5524 -84.7861 -6.69819 21.8893 -3.46134 73.2916 TIMING: 4916000 CPU: 14287.7, 0.00291974/step Wall: 14287.7, 0.00291974/step, 0.0681272 hours remaining, 207.355469 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: 4916000 738.8665 2108.7758 1951.7521 97.0372 -206343.3799 17701.6919 0.0000 0.0000 34307.6648 -149437.5917 299.6174 -183745.2565 -149337.5600 299.4821 -58.0853 -28.0008 557838.2705 -14.1226 -13.9501 PRESSURE: 4916200 15.9106 202.088 195.761 202.087 -265.606 -182.636 195.763 -182.636 -34.3148 GPRESSURE: 4916200 60.4852 199.414 141.519 180.367 -277.128 -160.547 221.722 -245.682 19.3892 PRESSAVG: 4916200 1.38673 50.367 4.13593 50.367 -29.7427 -6.64952 4.13588 -6.64953 -17.8949 GPRESSAVG: 4916200 3.12686 51.4271 2.43401 48.5308 -30.8871 -3.9967 4.51369 -9.43631 -18.8612 TIMING: 4916200 CPU: 14288.3, 0.00289595/step Wall: 14288.3, 0.00289595/step, 0.0674114 hours remaining, 207.558594 MB of memory in use. ENERGY: 4916200 747.1264 2076.8411 1970.5383 118.7773 -206545.9614 17898.4478 0.0000 0.0000 34267.6458 -149466.5848 299.2679 -183734.2305 -149367.0403 298.9003 -94.6702 -65.7511 558461.2138 -15.4170 -15.5405 LDB: ============= START OF LOAD BALANCING ============== 14291.8 LDB: ============== END OF LOAD BALANCING =============== 14291.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14291.8 LDB: ============= START OF LOAD BALANCING ============== 14292.1 LDB: Largest compute 4848 load 0.031627 is 26.8% of average load 0.117806 LDB: Average compute 0.001731 is 1.5% of average load 0.117806 LDB: TIME 14292.1 LOAD: AVG 0.117806 MAX 0.186087 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 14292.1 LOAD: AVG 0.117806 MAX 0.186087 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: TIME 14292.1 LOAD: AVG 0.117806 MAX 0.186087 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14292.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.1 PRESSURE: 4916400 -294.979 35.8681 -13.5705 35.8684 -25.3741 94.5309 -13.5698 94.5312 -227.311 GPRESSURE: 4916400 -198.079 36.4318 31.8116 5.46528 -8.26827 100.714 -5.96706 115.054 -235.508 PRESSAVG: 4916400 91.8595 6.53912 -10.1603 6.5392 -32.9086 8.86422 -10.1603 8.86419 -33.5334 GPRESSAVG: 4916400 92.4722 7.33313 -8.22844 5.39803 -32.5746 8.01629 -9.92782 9.77155 -34.4313 TIMING: 4916400 CPU: 14288.9, 0.00297223/step Wall: 14288.9, 0.00297223/step, 0.0690218 hours remaining, 209.851562 MB of memory in use. ENERGY: 4916400 759.8681 2066.0236 1971.1376 107.3314 -206338.1189 17536.1482 0.0000 0.0000 34206.5557 -149691.0544 298.7344 -183897.6101 -149597.5469 298.5074 -182.5548 -147.2851 556867.7500 8.4725 8.4888 PRESSURE: 4916600 4.44168 -65.6264 83.2117 -65.6269 -228.962 16.6291 83.2136 16.6284 94.668 GPRESSURE: 4916600 -15.2647 -89.3556 111.3 -46.8145 -162.154 38.4172 97.4431 -8.69179 134.619 PRESSAVG: 4916600 57.0345 56.2714 6.24529 56.2714 -5.76703 -11.2071 6.2453 -11.2072 -20.4337 GPRESSAVG: 4916600 55.5822 54.5907 4.11615 57.3442 -4.74824 -12.705 5.46187 -9.37744 -20.4262 TIMING: 4916600 CPU: 14289.5, 0.00290215/step Wall: 14289.5, 0.00290215/step, 0.067233 hours remaining, 209.921875 MB of memory in use. ENERGY: 4916600 740.8926 2062.8162 1947.2155 106.0592 -206336.2966 17666.2729 0.0000 0.0000 34091.4303 -149721.6099 297.7289 -183813.0402 -149623.2077 298.2752 -43.2843 -14.2667 556813.5819 10.2779 10.1359 PRESSURE: 4916800 198.873 21.6051 -205.953 21.6045 -142.483 -13.8796 -205.952 -13.8796 -10.367 GPRESSURE: 4916800 226.3 143.788 -232.542 -31.4651 -94.7286 1.28348 -170.01 53.1579 10.625 PRESSAVG: 4916800 4.74345 26.5598 -70.846 26.5599 12.3158 -42.9931 -70.8461 -42.993 -33.7555 GPRESSAVG: 4916800 4.52334 27.857 -69.0445 26.965 11.1331 -42.5222 -71.3677 -43.3157 -32.9338 TIMING: 4916800 CPU: 14290.1, 0.00290524/step Wall: 14290.1, 0.00290524/step, 0.0671433 hours remaining, 210.125000 MB of memory in use. ENERGY: 4916800 743.7974 2062.2813 1965.8823 116.8987 -206653.3587 17969.7735 0.0000 0.0000 34088.6249 -149706.1006 297.7044 -183794.7255 -149605.7712 297.2161 15.3410 47.3986 556612.9182 -5.5654 -5.7591 PRESSURE: 4917000 170.177 6.91139 -88.7422 6.91241 194.173 51.4697 -88.7433 51.4702 -106.947 GPRESSURE: 4917000 209.468 -38.5799 -72.2955 123.043 243.812 20.8251 -91.8152 98.2222 -90.0444 PRESSAVG: 4917000 -39.8343 66.8643 8.21153 66.8644 32.3437 23.0025 8.21147 23.0025 18.9632 GPRESSAVG: 4917000 -40.2435 65.8479 5.69846 67.0337 33.1359 25.9022 11.1409 19.67 18.6911 TIMING: 4917000 CPU: 14290.7, 0.00294002/step Wall: 14290.7, 0.00294002/step, 0.0677839 hours remaining, 210.125000 MB of memory in use. ENERGY: 4917000 690.0168 2126.8355 1984.3202 113.9134 -206535.1681 17988.7656 0.0000 0.0000 33994.4467 -149636.8700 296.8820 -183631.3166 -149546.2528 297.6219 85.8007 121.0784 557452.0107 3.8242 3.8612 PRESSURE: 4917200 -109.873 230.049 -16.3454 230.048 -294.281 69.9559 -16.3442 69.9565 18.5823 GPRESSURE: 4917200 -81.503 75.6816 -59.4976 243.073 -253.625 19.2849 -72.2783 129.012 44.1682 PRESSAVG: 4917200 1.27876 10.114 -62.1499 10.114 -26.6986 56.277 -62.1499 56.2769 -33.3597 GPRESSAVG: 4917200 2.02278 9.30148 -63.1005 7.89943 -27.4034 54.0124 -61.5842 58.6736 -34.3048 TIMING: 4917200 CPU: 14291.3, 0.00290804/step Wall: 14291.3, 0.00290804/step, 0.0668849 hours remaining, 210.125000 MB of memory in use. ENERGY: 4917200 719.0479 2110.7711 1958.6180 116.4099 -206213.9811 17721.3993 0.0000 0.0000 34086.1998 -149501.5350 297.6833 -183587.7348 -149409.1078 297.9442 -128.5239 -96.9865 557754.7503 -19.5932 -19.8951 PRESSURE: 4917400 11.8554 98.6702 143.613 98.6699 -58.2168 -23.1674 143.613 -23.169 26.5235 GPRESSURE: 4917400 49.7844 109.181 113.133 98.9563 -13.9187 -165.662 230.992 -83.2476 50.4026 PRESSAVG: 4917400 -50.073 2.73435 -23.3578 2.73434 39.2099 31.5902 -23.3579 31.59 25.4683 GPRESSAVG: 4917400 -48.3971 4.53363 -22.6914 4.07845 38.2923 29.6921 -24.2126 32.0778 25.2365 TIMING: 4917400 CPU: 14291.8, 0.0028914/step Wall: 14291.8, 0.0028914/step, 0.0663416 hours remaining, 210.125000 MB of memory in use. ENERGY: 4917400 733.7166 2108.9894 1972.4079 115.0866 -206275.7243 17753.7349 0.0000 0.0000 34205.4691 -149386.3197 298.7249 -183591.7889 -149287.6108 299.1026 -6.6127 28.7561 556083.4279 4.8684 5.0439 PRESSURE: 4917600 -104.579 -49.2029 -115.556 -49.2029 -343.542 -15.2921 -115.556 -15.2919 -120.21 GPRESSURE: 4917600 -47.2785 -25.4235 -97.2756 -87.8071 -303.86 -39.2275 -127.6 30.1302 -116.587 PRESSAVG: 4917600 66.7139 15.0528 -56.3863 15.0528 -24.3679 -44.1712 -56.3863 -44.1711 -19.2259 GPRESSAVG: 4917600 66.9234 13.2023 -53.8656 17.0062 -24.7668 -41.082 -58.2347 -44.4046 -18.7766 TIMING: 4917600 CPU: 14292.4, 0.00290427/step Wall: 14292.4, 0.00290427/step, 0.0664756 hours remaining, 210.125000 MB of memory in use. ENERGY: 4917600 779.1976 2128.0608 1991.4678 108.7968 -206212.3596 17558.8084 0.0000 0.0000 34241.5424 -149404.4858 299.0399 -183646.0282 -149306.0408 298.7253 -189.4436 -155.9085 557168.9144 7.7067 7.7933 PRESSURE: 4917800 -98.639 145.235 78.118 145.236 113.161 117.63 78.1205 117.629 69.478 GPRESSURE: 4917800 3.25599 167.021 97.111 110.985 120.573 157.17 33.431 129.134 44.5885 PRESSAVG: 4917800 4.11075 37.6681 0.237315 37.6681 -37.1438 -0.944741 0.23731 -0.944732 -4.68852 GPRESSAVG: 4917800 2.80239 38.7225 -1.40748 37.4802 -36.5453 -0.295952 1.10626 -2.457 -4.06454 TIMING: 4917800 CPU: 14293, 0.00290526/step Wall: 14293, 0.00290526/step, 0.0663368 hours remaining, 210.125000 MB of memory in use. ENERGY: 4917800 744.8155 2148.2294 1992.1759 121.2781 -206764.1637 18077.0962 0.0000 0.0000 34167.9420 -149512.6267 298.3971 -183680.5687 -149418.5331 298.4300 28.0000 56.1391 559109.2470 -12.5739 -12.6025 PRESSURE: 4918000 -187.136 27.0143 42.3762 27.0152 -111.316 -72.2607 42.376 -72.2614 -323.224 GPRESSURE: 4918000 -191.105 13.4893 33.0484 45.6207 -47.4354 -74.2233 128.108 -109.857 -292.618 PRESSAVG: 4918000 19.5337 32.272 45.4169 32.272 -12.8481 -8.33728 45.4169 -8.33736 24.4747 GPRESSAVG: 4918000 18.1433 32.3162 45.7962 28.7664 -10.8736 -9.2107 45.9402 -9.33535 24.0921 TIMING: 4918000 CPU: 14293.6, 0.00291409/step Wall: 14293.6, 0.00291409/step, 0.0663765 hours remaining, 210.125000 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: 4918000 744.9223 2123.6556 1970.3880 131.5538 -206017.1328 17457.5794 0.0000 0.0000 34419.6886 -149169.3450 300.5957 -183589.0337 -149063.2920 298.7856 -207.2252 -177.0529 559713.3650 10.3868 10.4540 PRESSURE: 4918200 193.569 96.7917 28.8376 96.7911 54.982 -23.8508 28.8377 -23.85 97.2075 GPRESSURE: 4918200 213.416 30.69 -10.2571 143.375 88.4241 29.8264 64.7137 -50.0946 135.738 PRESSAVG: 4918200 40.942 109.607 -33.6508 109.607 -10.9157 -42.2442 -33.6507 -42.2441 -5.97832 GPRESSAVG: 4918200 42.3977 107.752 -34.5083 114.209 -12.1913 -42.9617 -33.7249 -40.9848 -5.99115 TIMING: 4918200 CPU: 14294.2, 0.00289918/step Wall: 14294.2, 0.00289918/step, 0.0658759 hours remaining, 210.125000 MB of memory in use. ENERGY: 4918200 758.6222 2070.6528 1957.0996 122.6943 -206434.9414 18030.8916 0.0000 0.0000 34387.0735 -149107.9076 300.3109 -183494.9811 -149011.6615 300.1498 115.2528 145.8595 557467.6015 8.0160 8.0718 PRESSURE: 4918400 -130.36 -62.8571 -33.3609 -62.8571 -93.8724 -92.5736 -33.3595 -92.5739 26.2348 GPRESSURE: 4918400 -106.405 54.8013 -45.6428 -169.525 -33.9913 -20.3724 24.1953 -102.212 28.3515 PRESSAVG: 4918400 -17.6123 31.7329 18.7042 31.7329 31.4792 13.6381 18.7041 13.6381 -20.306 GPRESSAVG: 4918400 -18.7476 32.9431 19.6797 30.5982 32.1357 13.7173 19.3131 13.0884 -20.43 TIMING: 4918400 CPU: 14294.7, 0.00289936/step Wall: 14294.7, 0.00289936/step, 0.0657189 hours remaining, 210.125000 MB of memory in use. ENERGY: 4918400 780.8362 2048.9668 1986.4439 115.5710 -206223.7629 17770.2098 0.0000 0.0000 34415.3145 -149106.4206 300.5575 -183521.7352 -149005.3227 299.4264 -65.9991 -37.3483 557364.3820 -2.1463 -2.3473 PRESSURE: 4918600 -50.1705 -73.0001 -95.3389 -73.0021 -91.6194 17.3825 -95.3396 17.3829 -44.4404 GPRESSURE: 4918600 6.89215 25.6542 -101.53 -40.2507 -76.5097 -9.35055 -116.442 -59.1019 -13.8261 PRESSAVG: 4918600 9.45124 -0.538781 -34.316 -0.538784 -5.59487 22.3643 -34.316 22.3642 6.83648 GPRESSAVG: 4918600 11.4021 0.209691 -33.1782 -0.982222 -6.68511 23.2293 -34.8227 21.1118 5.48248 TIMING: 4918600 CPU: 14295.3, 0.00289867/step Wall: 14295.3, 0.00289867/step, 0.0655422 hours remaining, 210.125000 MB of memory in use. ENERGY: 4918600 747.3071 2055.3189 1984.2553 114.1733 -205985.6729 17652.2887 0.0000 0.0000 34301.1265 -149131.2030 299.5603 -183432.3296 -149038.4224 300.0748 -62.0768 -27.8145 557399.4196 3.5643 3.3998 PRESSURE: 4918800 -104.478 -15.5807 -96.768 -15.5806 -112.501 -78.0887 -96.7674 -78.0898 -294.218 GPRESSURE: 4918800 -127.102 -82.9588 -195.804 27.0446 -49.2077 -117.491 -67.3488 -74.6924 -227.002 PRESSAVG: 4918800 -13.1241 -58.1271 -18.4706 -58.1272 63.2889 -23.0541 -18.4705 -23.0542 -59.9173 GPRESSAVG: 4918800 -15.0575 -59.8836 -20.512 -58.6199 63.1474 -25.4759 -17.702 -19.9193 -58.448 TIMING: 4918800 CPU: 14295.9, 0.00292112/step Wall: 14295.9, 0.00292112/step, 0.0658875 hours remaining, 210.125000 MB of memory in use. ENERGY: 4918800 773.6516 2129.6925 1978.5967 135.3017 -205776.4274 17397.6392 0.0000 0.0000 34074.4970 -149287.0489 297.5811 -183361.5458 -149186.1712 299.1739 -170.3992 -134.4373 557281.6754 -3.2508 -3.4527 PRESSURE: 4919000 188.77 -140.715 149.759 -140.716 -137.976 71.3405 149.759 71.3397 -130.121 GPRESSURE: 4919000 201.489 -113.951 196.18 -159.163 -106.722 33.5222 89.2239 69.0248 -71.6231 PRESSAVG: 4919000 34.1681 -26.8312 74.9989 -26.8313 -14.309 -67.0181 74.9989 -67.0179 -6.71767 GPRESSAVG: 4919000 35.0433 -27.1343 75.2699 -26.7046 -14.8324 -67.8266 71.9403 -66.3103 -6.76111 TIMING: 4919000 CPU: 14296.5, 0.00291845/step Wall: 14296.5, 0.00291845/step, 0.0656652 hours remaining, 210.125000 MB of memory in use. ENERGY: 4919000 745.9647 2099.4637 1959.6396 114.1409 -206375.7980 17700.1125 0.0000 0.0000 34395.1472 -149361.3294 300.3814 -183756.4766 -149262.2857 299.0361 -26.4420 7.7145 556755.3188 4.3805 4.4832 PRESSURE: 4919200 278.234 -83.1032 -140.845 -83.1036 -52.0434 -351.432 -140.845 -351.434 101.956 GPRESSURE: 4919200 261.323 -44.2554 -106.424 -132.159 26.3227 -348.366 -206.711 -287.852 144.336 PRESSAVG: 4919200 -12.4336 71.414 22.8493 71.414 -44.8999 -82.2121 22.8493 -82.2121 20.2363 GPRESSAVG: 4919200 -12.6904 72.4337 25.5981 69.4904 -43.9346 -78.5988 24.0135 -85.6092 19.7571 TIMING: 4919200 CPU: 14297.1, 0.00289762/step Wall: 14297.1, 0.00289762/step, 0.0650355 hours remaining, 210.125000 MB of memory in use. ENERGY: 4919200 735.5505 2054.3186 1980.3603 100.4011 -206307.7476 17924.6074 0.0000 0.0000 34060.1406 -149452.3691 297.4557 -183512.5098 -149361.2948 298.5941 109.3821 143.9941 556550.5441 -12.3657 -12.2893 PRESSURE: 4919400 -144.385 37.2577 93.8323 37.2571 -54.726 -204.65 93.8328 -204.651 -55.1664 GPRESSURE: 4919400 -92.225 26.0392 90.5909 59.2264 42.4248 -243.397 126.428 -184.414 -110.077 PRESSAVG: 4919400 37.0752 14.2129 31.4781 14.2128 -83.0467 -57.7121 31.478 -57.7122 40.0726 GPRESSAVG: 4919400 38.9097 13.488 28.897 16.421 -83.9013 -58.4226 32.1637 -57.962 40.5045 TIMING: 4919400 CPU: 14297.6, 0.00289997/step Wall: 14297.6, 0.00289997/step, 0.0649271 hours remaining, 210.125000 MB of memory in use. ENERGY: 4919400 722.9360 2105.1285 1968.6099 118.1315 -206164.0836 17606.9023 0.0000 0.0000 34264.4176 -149377.9578 299.2397 -183642.3754 -149284.4597 298.4123 -84.7591 -53.2924 556999.7287 -1.9663 -1.4957 PRESSURE: 4919600 -41.6149 78.0034 2.07437 78.0051 -316.484 106.833 2.07336 106.833 50.958 GPRESSURE: 4919600 -15.929 145.311 -67.6553 74.8352 -271.372 67.0936 -64.8082 127.668 65.4556 PRESSAVG: 4919600 20.6712 -19.4124 -13.9714 -19.4123 -44.0271 -73.5645 -13.9713 -73.5645 54.2737 GPRESSAVG: 4919600 17.958 -18.8429 -13.1384 -19.6495 -42.388 -72.9092 -15.1782 -72.6983 54.837 TIMING: 4919600 CPU: 14298.2, 0.00291095/step Wall: 14298.2, 0.00291095/step, 0.0650112 hours remaining, 210.125000 MB of memory in use. ENERGY: 4919600 764.5964 2160.5857 1957.9156 126.9447 -205995.9494 17691.7578 0.0000 0.0000 34154.7640 -149139.3852 298.2820 -183294.1492 -149043.4647 299.4142 -102.3804 -73.9484 558194.5656 10.3059 10.1357 PRESSURE: 4919800 129.347 -38.4724 80.1876 -38.4731 96.8309 52.2763 80.1875 52.2763 163.256 GPRESSURE: 4919800 184.107 -105.505 37.7207 -9.32684 108.663 85.2132 19.1686 -5.43729 192.437 PRESSAVG: 4919800 49.7812 22.0061 -1.31917 22.0061 -13.5022 -52.5562 -1.31914 -52.5563 -10.0409 GPRESSAVG: 4919800 51.037 22.4454 -0.208097 22.2063 -14.8304 -53.4742 -0.461777 -53.4965 -10.1266 TIMING: 4919800 CPU: 14298.8, 0.00289217/step Wall: 14298.8, 0.00289217/step, 0.0644311 hours remaining, 210.125000 MB of memory in use. ENERGY: 4919800 717.8430 2069.2390 1958.8110 106.8537 -206190.6064 17841.9509 0.0000 0.0000 34153.3952 -149342.5136 298.2701 -183495.9088 -149242.9273 298.7670 129.8110 161.7359 557221.3801 8.7460 8.6933 PRESSURE: 4920000 -214.144 13.499 22.73 13.4992 -270.445 -157.945 22.7292 -157.945 -231.55 GPRESSURE: 4920000 -195.479 82.208 -49.6191 55.384 -205.093 -262.814 -9.40819 -104.008 -209.854 PRESSAVG: 4920000 20.7886 -1.43814 -43.4109 -1.43813 -5.18911 1.77022 -43.4108 1.77016 -7.98095 GPRESSAVG: 4920000 20.6088 -2.59515 -43.115 -0.910872 -4.60955 1.29099 -43.6364 3.282 -9.33636 TIMING: 4920000 CPU: 14299.4, 0.00290151/step Wall: 14299.4, 0.00290151/step, 0.064478 hours remaining, 210.125000 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: 4920000 756.1472 2089.8348 1952.0752 116.2795 -206016.3177 17510.7695 0.0000 0.0000 34108.7692 -149482.4424 297.8804 -183591.2116 -149383.4876 298.2574 -238.7128 -203.4751 558635.9360 2.5395 2.2210 PRESSURE: 4920200 -16.2535 112.429 -39.7775 112.428 -102.399 -73.9515 -39.7763 -73.9507 -185.191 GPRESSURE: 4920200 15.8965 91.2782 -103.508 142.387 -95.7139 -88.3225 -74.3746 -42.9855 -125.354 PRESSAVG: 4920200 12.5785 30.5001 -4.97765 30.5001 33.4682 6.75748 -4.97758 6.75751 -43.0194 GPRESSAVG: 4920200 11.6123 32.1155 -6.1439 31.3494 32.6187 5.64947 -5.75349 7.48913 -41.6628 TIMING: 4920200 CPU: 14300, 0.0028996/step Wall: 14300, 0.0028996/step, 0.0642744 hours remaining, 210.125000 MB of memory in use. ENERGY: 4920200 748.2165 2055.9914 1931.4461 112.0590 -206036.9268 17647.0306 0.0000 0.0000 34103.2150 -149438.9682 297.8319 -183542.1833 -149337.6056 298.1125 -101.2811 -68.3904 557677.3964 1.0091 0.8561 LDB: ============= START OF LOAD BALANCING ============== 14303.4 LDB: ============== END OF LOAD BALANCING =============== 14303.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14303.4 LDB: ============= START OF LOAD BALANCING ============== 14303.7 LDB: Largest compute 4848 load 0.030957 is 26.3% of average load 0.117794 LDB: Average compute 0.001727 is 1.5% of average load 0.117794 LDB: TIME 14303.7 LOAD: AVG 0.117794 MAX 0.189272 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 14303.7 LOAD: AVG 0.117794 MAX 0.189272 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: TIME 14303.7 LOAD: AVG 0.117794 MAX 0.189272 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.648 MB LDB: ============== END OF LOAD BALANCING =============== 14303.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14303.7 PRESSURE: 4920400 68.5475 64.5433 -27.1168 64.5425 -170.844 -154.891 -27.1175 -154.891 -16.6548 GPRESSURE: 4920400 98.6075 38.2498 -79.4884 118.733 -133.811 -201.586 73.5093 -162.465 14.7418 PRESSAVG: 4920400 18.5499 58.8558 66.1142 58.8559 -35.1267 11.1231 66.1144 11.1231 14.5627 GPRESSAVG: 4920400 19.2383 58.081 65.0597 56.6437 -34.2009 12.1205 66.7668 10.8278 12.8983 TIMING: 4920400 CPU: 14300.6, 0.00294766/step Wall: 14300.6, 0.00294766/step, 0.0651761 hours remaining, 208.117188 MB of memory in use. ENERGY: 4920400 720.5985 2057.7305 1950.5979 112.5757 -206241.4198 17911.7393 0.0000 0.0000 34146.8600 -149341.3180 298.2130 -183488.1780 -149243.7884 298.2424 -39.6504 -6.8206 558616.0503 -0.6713 -0.6881 PRESSURE: 4920600 125.142 4.46123 -151.115 4.46179 210.093 108.748 -151.115 108.748 157.707 GPRESSURE: 4920600 110.524 -23.0499 -76.2882 14.8925 240.254 86.1404 -162.359 137.923 232.851 PRESSAVG: 4920600 -6.78367 37.1762 -6.06375 37.1761 38.4257 -20.691 -6.06382 -20.6909 -27.2981 GPRESSAVG: 4920600 -6.97033 35.9823 -5.45926 37.6323 38.4492 -21.5334 -6.20281 -19.6802 -26.8663 TIMING: 4920600 CPU: 14301.1, 0.00289497/step Wall: 14301.1, 0.00289497/step, 0.0638501 hours remaining, 208.675781 MB of memory in use. ENERGY: 4920600 720.7495 2068.1562 1946.1072 121.1772 -206579.0876 18095.3873 0.0000 0.0000 34265.4930 -149362.0171 299.2491 -183627.5101 -149266.1415 298.7530 164.3140 194.5431 557239.7955 1.4480 1.5375 PRESSURE: 4920800 -150.441 57.6459 -88.0261 57.6448 -131.293 -4.65541 -88.0258 -4.65735 -85.5454 GPRESSURE: 4920800 -136.099 79.4108 -115.702 76.8424 -80.1563 -48.331 -26.1152 6.2843 -54.6275 PRESSAVG: 4920800 -2.53691 -26.8797 -7.63585 -26.8796 2.83571 5.53087 -7.63577 5.53083 13.3456 GPRESSAVG: 4920800 -2.50488 -27.0041 -5.48283 -25.933 3.96215 6.48764 -8.11843 4.46201 11.8738 TIMING: 4920800 CPU: 14301.7, 0.00289813/step Wall: 14301.7, 0.00289813/step, 0.0637589 hours remaining, 208.675781 MB of memory in use. ENERGY: 4920800 748.6335 1999.1068 1969.5763 112.6653 -206181.2727 17750.9144 0.0000 0.0000 34182.4624 -149417.9139 298.5239 -183600.3763 -149317.1233 298.1259 -122.4263 -90.2942 558040.2833 4.5481 4.4437 PRESSURE: 4921000 -140.914 46.8314 -68.901 46.8307 -225.897 -104.171 -68.9017 -104.171 -47.6829 GPRESSURE: 4921000 -114.468 118.84 5.50037 -10.9135 -192.04 -107.19 -28.6743 -115.384 -9.28692 PRESSAVG: 4921000 -22.4797 1.17657 -29.7237 1.17663 32.2101 -16.8852 -29.7236 -16.8853 17.5055 GPRESSAVG: 4921000 -24.3478 4.20467 -34.3601 0.1879 32.1556 -17.1477 -29.0038 -16.8446 19.2696 TIMING: 4921000 CPU: 14302.3, 0.00291271/step Wall: 14302.3, 0.00291271/step, 0.0639178 hours remaining, 208.675781 MB of memory in use. ENERGY: 4921000 757.3272 2038.9723 1991.8846 101.4236 -206266.4266 17728.7748 0.0000 0.0000 34256.0239 -149392.0203 299.1664 -183648.0442 -149292.0486 298.4195 -138.1648 -105.2650 559479.9451 9.0786 9.0258 PRESSURE: 4921200 147.248 17.4599 8.89395 17.4594 -237.39 87.4811 8.89489 87.4809 11.664 GPRESSURE: 4921200 207.7 49.4926 26.0555 14.0624 -203.721 45.8924 56.961 54.7587 19.7949 PRESSAVG: 4921200 -35.0637 36.907 -1.5615 36.907 62.2861 -3.17478 -1.56138 -3.17457 -1.20771 GPRESSAVG: 4921200 -34.6239 34.3566 -0.924874 40.1169 62.1833 -3.07241 -0.203428 -2.56004 -1.68894 TIMING: 4921200 CPU: 14302.9, 0.00288604/step Wall: 14302.9, 0.00288604/step, 0.0631723 hours remaining, 208.675781 MB of memory in use. ENERGY: 4921200 738.6789 2095.4889 1983.8139 114.1017 -206154.8563 17776.6008 0.0000 0.0000 34082.2370 -149363.9352 297.6487 -183446.1721 -149272.6173 298.6932 -26.1594 7.9247 557733.1390 8.6716 8.6235 PRESSURE: 4921400 -43.6785 -76.1713 -154.699 -76.1722 -104.877 -24.4365 -154.699 -24.4343 -22.4288 GPRESSURE: 4921400 -57.1275 51.3607 -145.986 -177.616 -75.4747 39.1738 -18.3706 0.969574 60.8657 PRESSAVG: 4921400 7.92517 3.42074 41.5658 3.42074 12.5319 -1.16307 41.5657 -1.16291 -15.1343 GPRESSAVG: 4921400 8.33658 4.36924 42.9486 1.76369 10.4387 -3.14457 39.6086 -1.37522 -13.7139 TIMING: 4921400 CPU: 14303.5, 0.00291525/step Wall: 14303.5, 0.00291525/step, 0.0636496 hours remaining, 208.675781 MB of memory in use. ENERGY: 4921400 754.5860 2090.5296 1969.1493 118.9657 -206661.8951 18014.0507 0.0000 0.0000 34207.5696 -149507.0442 298.7432 -183714.6138 -149410.1355 299.1883 -56.9949 -23.9122 557516.5289 1.7743 1.6871 PRESSURE: 4921600 -172.06 -60.0605 -181.17 -60.0599 44.7878 -98.9632 -181.171 -98.9629 125.501 GPRESSURE: 4921600 -156.922 -4.87121 -199.308 -34.3751 131.316 -108.379 -99.7414 -23.6627 111.288 PRESSAVG: 4921600 -1.96038 -14.8915 19.8142 -14.8914 31.9791 -34.2186 19.8142 -34.2187 -8.01024 GPRESSAVG: 4921600 -1.22855 -14.8948 21.2452 -14.7185 32.6779 -32.5611 20.8666 -34.1342 -9.82764 TIMING: 4921600 CPU: 14304, 0.00291268/step Wall: 14304, 0.00291268/step, 0.0634317 hours remaining, 208.675781 MB of memory in use. ENERGY: 4921600 731.6999 2052.3194 1976.2226 119.3589 -206714.2560 17973.5524 0.0000 0.0000 34169.6643 -149691.4385 298.4122 -183861.1028 -149592.6434 298.8023 -0.5906 28.5608 557976.4439 7.3361 7.2072 PRESSURE: 4921800 -65.7543 -29.452 -193.788 -29.4518 57.1643 -57.8176 -193.788 -57.818 139.99 GPRESSURE: 4921800 -110.335 -19.0412 -190.19 -75.5422 159.469 -105.104 -165.886 11.452 169.526 PRESSAVG: 4921800 -40.9463 -18.8609 -31.8672 -18.861 -15.5915 -23.578 -31.8672 -23.5779 52.1008 GPRESSAVG: 4921800 -41.396 -19.1953 -32.3845 -20.1109 -15.8221 -24.2718 -32.1092 -25.3547 52.6684 TIMING: 4921800 CPU: 14304.6, 0.00292724/step Wall: 14304.6, 0.00292724/step, 0.0635861 hours remaining, 208.675781 MB of memory in use. ENERGY: 4921800 759.0378 2073.6946 1948.6839 102.7309 -206663.7881 17991.9891 0.0000 0.0000 34211.3679 -149576.2838 298.7764 -183787.6518 -149479.2661 298.7834 43.8001 72.8866 556317.2651 -1.4790 -1.5166 PRESSURE: 4922000 -118.273 20.241 -90.6314 20.2415 -58.9728 -99.2749 -90.632 -99.2736 258.01 GPRESSURE: 4922000 -42.8995 -59.649 -78.4012 31.2044 -49.5852 -103.716 -66.3059 -32.8604 259.211 PRESSAVG: 4922000 -7.58871 -1.7888 23.9174 -1.78878 -60.7599 25.414 23.9174 25.4141 61.9737 GPRESSAVG: 4922000 -9.08137 -1.95009 25.3247 -0.901582 -60.1896 26.703 22.3947 26.6097 62.3629 TIMING: 4922000 CPU: 14305.2, 0.00290407/step Wall: 14305.2, 0.00290407/step, 0.0629216 hours remaining, 208.675781 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: 4922000 756.0237 2103.8593 1956.7084 94.8283 -206464.8310 18030.9936 0.0000 0.0000 34045.0427 -149477.3750 297.3238 -183522.4177 -149390.1357 297.9976 26.9213 55.5756 556897.9327 -2.1250 -2.3027 PRESSURE: 4922200 -150.174 206.939 38.2686 206.94 44.6643 19.6366 38.2677 19.6371 -201.839 GPRESSURE: 4922200 -72.8822 75.6754 -89.4054 256.418 47.7381 91.8119 60.6786 74.829 -184.908 PRESSAVG: 4922200 -56.9905 -20.5457 28.2382 -20.5457 -2.8931 14.2278 28.2382 14.2278 84.4205 GPRESSAVG: 4922200 -55.832 -19.3756 25.1959 -21.2097 -2.77132 13.5191 31.3189 12.7316 83.0057 TIMING: 4922200 CPU: 14305.8, 0.00290453/step Wall: 14305.8, 0.00290453/step, 0.0627702 hours remaining, 208.687500 MB of memory in use. ENERGY: 4922200 780.1340 2081.7496 1943.1610 122.1974 -206192.7744 17727.0877 0.0000 0.0000 33927.1617 -149611.2830 296.2943 -183538.4447 -149512.5627 297.8140 -102.4495 -70.0173 557565.5853 8.1790 8.1341 PRESSURE: 4922400 -16.4841 -89.685 108.421 -89.6844 -78.7905 25.9228 108.421 25.9231 -122.774 GPRESSURE: 4922400 11.8877 -101.357 63.5476 -82.8087 -73.058 80.7724 173.238 -79.3389 -58.293 PRESSAVG: 4922400 -14.9476 15.0086 22.1122 15.0086 56.2773 60.5672 22.1122 60.5672 -56.0699 GPRESSAVG: 4922400 -15.3063 14.8852 22.4431 14.9924 54.8697 60.3895 21.9264 60.2813 -54.9558 TIMING: 4922400 CPU: 14306.4, 0.00294457/step Wall: 14306.4, 0.00294457/step, 0.0634718 hours remaining, 208.687500 MB of memory in use. ENERGY: 4922400 755.4948 2095.7795 1951.1014 112.6133 -206538.5315 17903.5506 0.0000 0.0000 34147.8943 -149572.0976 298.2221 -183719.9919 -149478.5466 298.1672 -72.6830 -39.8211 558390.7835 -4.9134 -5.1308 PRESSURE: 4922600 169.987 -35.4751 133.845 -35.4738 3.97916 -92.9067 133.845 -92.9071 -51.4391 GPRESSURE: 4922600 266.798 46.2917 183.267 -113.397 53.1543 -154.461 21.502 -10.9256 -96.5665 PRESSAVG: 4922600 -14.5358 35.3618 30.2082 35.3618 3.52932 -4.32937 30.2082 -4.32929 -7.25735 GPRESSAVG: 4922600 -14.285 34.9239 31.3998 35.3235 4.32016 -2.92558 28.625 -3.88902 -8.7615 TIMING: 4922600 CPU: 14307, 0.00293491/step Wall: 14307, 0.00293491/step, 0.0631006 hours remaining, 208.687500 MB of memory in use. ENERGY: 4922600 731.1009 2067.9048 1947.6207 108.5022 -206696.2650 18040.0724 0.0000 0.0000 34282.0750 -149518.9891 299.3939 -183801.0641 -149423.0806 297.6041 40.8424 74.4619 556537.5639 -6.0879 -6.2421 PRESSURE: 4922800 8.47611 23.2156 172.629 23.2157 414.15 -35.8421 172.629 -35.841 -89.9427 GPRESSURE: 4922800 -17.5172 1.13683 118.277 42.3182 440.278 -93.5936 226.201 -56.3509 -0.0115431 PRESSAVG: 4922800 -31.2301 -25.7983 21.4412 -25.7982 -0.359378 -5.45406 21.4412 -5.45414 75.9229 GPRESSAVG: 4922800 -31.3389 -24.6214 20.8575 -26.3032 -0.942152 -6.79556 21.0399 -4.45922 76.8522 TIMING: 4922800 CPU: 14307.5, 0.00293864/step Wall: 14307.5, 0.00293864/step, 0.0630176 hours remaining, 208.687500 MB of memory in use. ENERGY: 4922800 719.1312 2103.2923 1944.3802 96.9006 -206816.9338 18113.9152 0.0000 0.0000 34077.2405 -149762.0737 297.6050 -183839.3142 -149676.0574 298.3737 110.8945 140.9164 556946.6713 14.7778 14.8570 PRESSURE: 4923000 -114.825 -61.1819 47.6945 -61.1825 -74.4452 -69.2397 47.6952 -69.241 -96.6594 GPRESSURE: 4923000 -90.9084 -96.3515 39.8683 -68.3987 -46.1872 -53.8443 -20.3698 -24.2153 -52.0469 PRESSAVG: 4923000 -44.4886 -38.4009 -4.57599 -38.4009 41.4598 25.9324 -4.57601 25.9324 -6.40727 GPRESSAVG: 4923000 -45.505 -39.4271 -4.63753 -38.9846 41.1075 26.9893 -5.23857 25.742 -4.87701 TIMING: 4923000 CPU: 14308.1, 0.00297137/step Wall: 14308.1, 0.00297137/step, 0.0635544 hours remaining, 208.687500 MB of memory in use. ENERGY: 4923000 722.8294 2128.0335 1919.1311 117.5635 -206230.7662 17520.8615 0.0000 0.0000 34279.3305 -149543.0168 299.3699 -183822.3472 -149446.6868 298.1485 -95.3099 -63.0475 557514.5758 -3.1454 -3.0915 PRESSURE: 4923200 -101.704 -4.69843 90.0612 -4.69875 -69.0645 -31.1483 90.0618 -31.15 -86.21 GPRESSURE: 4923200 -32.1721 -3.12006 163.839 32.4457 -36.2865 -167.908 50.6985 114.473 -87.3096 PRESSAVG: 4923200 -2.82857 -25.425 8.31432 -25.425 -5.48912 -28.1449 8.31424 -28.145 65.9743 GPRESSAVG: 4923200 -4.10359 -25.2699 10.1845 -25.2002 -3.68865 -30.344 9.06153 -28.7395 65.0904 TIMING: 4923200 CPU: 14308.7, 0.00293863/step Wall: 14308.7, 0.00293863/step, 0.0626907 hours remaining, 208.687500 MB of memory in use. ENERGY: 4923200 716.3654 2104.9278 1951.5500 112.7086 -205884.8847 17664.7349 0.0000 0.0000 33976.7695 -149357.8286 296.7276 -183334.5981 -149269.4666 298.5374 -85.6595 -51.9227 557992.3117 19.2189 19.0994 PRESSURE: 4923400 168.169 -98.1503 -50.4224 -98.1505 46.3487 -144.498 -50.4223 -144.498 -68.5409 GPRESSURE: 4923400 194.186 -131.61 -63.5086 -94.1186 44.1183 -152.117 -34.2742 -166.371 9.62173 PRESSAVG: 4923400 5.46635 -24.504 38.9617 -24.504 -10.2789 -18.2535 38.9617 -18.2535 5.22721 GPRESSAVG: 4923400 7.91779 -23.3414 37.0725 -23.4927 -11.5237 -14.9532 39.4773 -19.5416 4.35291 TIMING: 4923400 CPU: 14309.3, 0.00293681/step Wall: 14309.3, 0.00293681/step, 0.0624887 hours remaining, 208.687500 MB of memory in use. ENERGY: 4923400 693.9794 2039.9347 1968.4719 99.4533 -206239.6781 17731.0634 0.0000 0.0000 34424.9062 -149281.8692 300.6413 -183706.7754 -149186.9831 299.0899 48.6590 82.6422 556262.2806 0.1382 0.2490 PRESSURE: 4923600 160.4 -41.9764 81.5312 -41.9762 12.4403 -29.7008 81.5303 -29.7018 107.213 GPRESSURE: 4923600 138.748 -37.5844 63.3474 -96.746 81.6229 28.9168 59.1685 -87.6171 142.877 PRESSAVG: 4923600 2.67079 2.74634 16.2762 2.74625 38.5511 -11.6384 16.2762 -11.6383 -9.39458 GPRESSAVG: 4923600 1.54709 0.783122 14.4573 2.21926 38.1142 -11.9858 16.9727 -12.135 -8.07147 TIMING: 4923600 CPU: 14309.9, 0.00296862/step Wall: 14309.9, 0.00296862/step, 0.0630007 hours remaining, 208.687500 MB of memory in use. ENERGY: 4923600 697.0903 2037.1789 1951.7074 116.4953 -206343.5088 18008.6051 0.0000 0.0000 34378.0596 -149154.3722 300.2321 -183532.4318 -149062.0133 299.1232 93.3513 121.0825 558384.6837 10.6091 10.5300 PRESSURE: 4923800 71.9542 96.5361 -30.7654 96.5358 1.53425 35.4086 -30.7651 35.4099 36.539 GPRESSURE: 4923800 142.809 116.341 16.585 73.3696 -19.0115 54.3141 -26.1549 14.9583 72.8315 PRESSAVG: 4923800 -0.251771 -11.927 17.283 -11.9271 -62.2252 20.296 17.2832 20.2961 -7.75933 GPRESSAVG: 4923800 -0.673463 -11.9655 19.1553 -12.6798 -60.6947 16.6542 16.5889 22.1432 -8.18125 TIMING: 4923800 CPU: 14310.5, 0.00297086/step Wall: 14310.5, 0.00297086/step, 0.0628831 hours remaining, 208.687500 MB of memory in use. ENERGY: 4923800 760.7345 2052.7141 1941.2407 103.7469 -206185.3055 17878.6195 0.0000 0.0000 34357.6668 -149090.5832 300.0540 -183448.2499 -149000.5842 299.3962 36.6758 65.5429 559054.3526 -23.4121 -23.1831 PRESSURE: 4924000 -72.9475 -139.343 -98.0545 -139.342 -99.701 -101.375 -98.0544 -101.374 155.617 GPRESSURE: 4924000 15.1398 -150.067 -94.7838 -139.168 -61.4896 -64.6681 -113.788 -115.49 108.165 PRESSAVG: 4924000 -7.78835 -6.83678 -14.6731 -6.83665 -9.84003 -2.94139 -14.673 -2.94142 24.7347 GPRESSAVG: 4924000 -6.38336 -6.49553 -17.0495 -5.41897 -11.4785 -1.16627 -13.2894 -3.73091 24.5424 TIMING: 4924000 CPU: 14311.1, 0.00297145/step Wall: 14311.1, 0.00297145/step, 0.0627307 hours remaining, 208.687500 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: 4924000 703.2490 2134.6848 1930.1107 104.4960 -205827.1682 17626.3596 0.0000 0.0000 34251.0661 -149077.2019 299.1231 -183328.2680 -148990.7461 299.4583 -5.6772 20.6049 559707.0592 2.3688 2.2268 PRESSURE: 4924200 -165.299 40.8627 20.3417 40.8634 46.532 26.8688 20.3427 26.87 247.568 GPRESSURE: 4924200 -120.423 59.0695 89.5193 95.2598 123.258 1.53997 39.7963 -6.2296 221.23 PRESSAVG: 4924200 -34.7168 -62.5598 -31.0801 -62.5597 -74.3497 -67.262 -31.08 -67.262 71.4231 GPRESSAVG: 4924200 -37.096 -62.2138 -28.8031 -61.8752 -72.1715 -66.0563 -30.6133 -68.4539 71.5138 TIMING: 4924200 CPU: 14311.7, 0.00295936/step Wall: 14311.7, 0.00295936/step, 0.062311 hours remaining, 208.687500 MB of memory in use. ENERGY: 4924200 695.3473 2081.4256 1955.1336 111.7923 -206201.3703 17903.8347 0.0000 0.0000 34333.3262 -149120.5106 299.8415 -183453.8368 -149024.2224 299.5602 42.9337 74.6884 559371.8952 -12.5478 -12.5846 LDB: ============= START OF LOAD BALANCING ============== 14315.2 LDB: ============== END OF LOAD BALANCING =============== 14315.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14315.2 LDB: ============= START OF LOAD BALANCING ============== 14315.5 LDB: Largest compute 4848 load 0.030785 is 26.1% of average load 0.117828 LDB: Average compute 0.001726 is 1.5% of average load 0.117828 LDB: TIME 14315.5 LOAD: AVG 0.117828 MAX 0.192466 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 208.695 MB LDB: TIME 14315.5 LOAD: AVG 0.117828 MAX 0.192466 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: TIME 14315.5 LOAD: AVG 0.117828 MAX 0.192466 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 208.898 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14315.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14315.5 PRESSURE: 4924400 -99.0689 -1.11328 -32.4173 -1.11418 48.5304 19.3343 -32.4183 19.3333 -79.4852 GPRESSURE: 4924400 -92.5042 -10.7074 -124.384 15.3478 78.112 114.263 -116.921 23.9578 -5.29691 PRESSAVG: 4924400 -37.3692 -7.07184 -6.25662 -7.07195 -31.0561 -21.085 -6.25665 -21.085 70.3407 GPRESSAVG: 4924400 -35.4751 -8.07542 -6.07654 -7.76296 -32.4364 -21.3946 -8.12161 -19.8486 69.9893 TIMING: 4924400 CPU: 14312.3, 0.00300069/step Wall: 14312.3, 0.00300069/step, 0.0630145 hours remaining, 206.585938 MB of memory in use. ENERGY: 4924400 730.9939 2103.2268 1958.0564 115.9640 -206300.9283 17805.6430 0.0000 0.0000 34374.9104 -149212.1337 300.2046 -183587.0442 -149130.7938 299.2262 -43.3412 -6.5630 557774.3095 0.6385 0.6926 PRESSURE: 4924600 21.3332 -29.601 -9.76275 -29.6018 -69.7401 -57.2004 -9.76199 -57.1998 -211.103 GPRESSURE: 4924600 48.6135 4.26136 40.739 9.18923 -57.9618 -6.07665 -42.6785 -122.407 -142.364 PRESSAVG: 4924600 15.0438 -16.9021 49.4897 -16.902 25.6141 37.164 49.4897 37.164 11.8231 GPRESSAVG: 4924600 15.594 -19.2543 49.0915 -16.3158 25.8481 37.0133 49.4151 35.1322 11.7379 TIMING: 4924600 CPU: 14312.9, 0.0029595/step Wall: 14312.9, 0.0029595/step, 0.0619851 hours remaining, 206.585938 MB of memory in use. ENERGY: 4924600 778.8548 2101.0106 1942.9243 110.8088 -206028.7704 17698.5639 0.0000 0.0000 34191.4877 -149205.1203 298.6028 -183396.6080 -149117.8374 299.5962 -86.5031 -50.5706 557333.3528 17.4937 17.7267 PRESSURE: 4924800 -118.465 -191.844 -44.4445 -191.844 -63.9475 -61.6411 -44.4454 -61.6387 -226.262 GPRESSURE: 4924800 -79.5031 -156.952 -56.292 -242.74 -29.8755 -10.5619 -74.5424 -50.3339 -191.016 PRESSAVG: 4924800 33.3049 -36.3513 0.356262 -36.3513 35.8517 24.5439 0.356221 24.5438 -68.5598 GPRESSAVG: 4924800 32.4687 -32.2921 0.0286798 -37.76 35.2167 24.5089 0.247125 24.0341 -67.0277 TIMING: 4924800 CPU: 14313.5, 0.00295911/step Wall: 14313.5, 0.00295911/step, 0.0618125 hours remaining, 206.585938 MB of memory in use. ENERGY: 4924800 772.5961 2129.8970 1928.2412 113.1103 -205950.5637 17737.2796 0.0000 0.0000 34155.1317 -149114.3078 298.2853 -183269.4395 -149018.0722 299.2737 -136.2249 -100.1317 556736.4219 0.1989 0.2193 PRESSURE: 4925000 -11.0704 -262.651 53.444 -262.65 -33.9629 157.906 53.4452 157.905 117.227 GPRESSURE: 4925000 28.3209 -258.007 -2.17811 -291.131 24.7541 96.0038 93.3701 208.361 125.087 PRESSAVG: 4925000 23.6715 -61.5238 31.9047 -61.5238 16.7829 45.8612 31.9046 45.8613 -26.0535 GPRESSAVG: 4925000 25.6045 -65.4732 32.1419 -59.8948 16.8462 42.5293 32.6652 48.8143 -27.722 TIMING: 4925000 CPU: 14314.1, 0.0029465/step Wall: 14314.1, 0.0029465/step, 0.0613855 hours remaining, 206.585938 MB of memory in use. ENERGY: 4925000 777.0736 2120.2132 1964.4885 119.0871 -206205.1603 17992.0092 0.0000 0.0000 34199.5142 -149032.7744 298.6729 -183232.2886 -148935.6533 299.5058 24.0647 59.3873 557382.5404 4.8003 4.9096 PRESSURE: 4925200 74.615 -215.469 24.9921 -215.47 -55.6545 155.959 24.9905 155.959 -66.207 GPRESSURE: 4925200 78.9499 -173.794 140.408 -222.221 12.9452 175.281 -3.82895 177.275 -45.3278 PRESSAVG: 4925200 16.0961 -59.4253 49.082 -59.4252 46.2835 21.9653 49.082 21.9654 -54.1339 GPRESSAVG: 4925200 15.6882 -57.4241 48.8136 -60.8823 47.1948 22.565 49.3237 21.5468 -54.2999 TIMING: 4925200 CPU: 14314.7, 0.00293533/step Wall: 14314.7, 0.00293533/step, 0.0609896 hours remaining, 206.585938 MB of memory in use. ENERGY: 4925200 755.6418 2090.6583 1965.8457 110.2465 -206553.4489 18069.7878 0.0000 0.0000 34321.8863 -149239.3825 299.7416 -183561.2688 -149138.3201 300.1779 -15.7488 15.5224 558396.2615 2.7486 2.8611 PRESSURE: 4925400 -239.535 17.1135 -59.8908 17.1127 -183.452 -132.056 -59.8915 -132.056 -216.841 GPRESSURE: 4925400 -229.181 131.585 -93.8585 -127.764 -135.804 -147.94 -69.0799 -36.5899 -169.314 PRESSAVG: 4925400 37.9397 17.3953 -15.5551 17.3954 -32.6311 -6.16393 -15.555 -6.16396 -30.6564 GPRESSAVG: 4925400 36.8805 17.5796 -14.1225 15.492 -31.0861 -6.47793 -17.1939 -5.62401 -30.7377 TIMING: 4925400 CPU: 14315.2, 0.00292309/step Wall: 14315.2, 0.00292309/step, 0.060573 hours remaining, 206.585938 MB of memory in use. ENERGY: 4925400 766.0627 2104.7376 1954.5564 115.9883 -206063.7030 17668.7910 0.0000 0.0000 34087.7905 -149365.7765 297.6972 -183453.5670 -149267.3493 299.1258 -213.2760 -178.0996 557090.0848 -8.4492 -8.3145 PRESSURE: 4925600 178.36 -120.793 47.4644 -120.793 134.224 -45.3301 47.465 -45.3289 -85.0279 GPRESSURE: 4925600 174.466 -61.8122 57.3403 -36.1606 185.874 -12.5599 20.0912 -6.812 -38.0332 PRESSAVG: 4925600 95.8975 34.0914 1.58341 34.0913 -5.25232 -78.1597 1.58335 -78.1598 -49.3385 GPRESSAVG: 4925600 96.3291 34.4021 0.775086 34.8764 -7.41584 -76.2949 3.96241 -79.5634 -47.5813 TIMING: 4925600 CPU: 14315.8, 0.00293964/step Wall: 14315.8, 0.00293964/step, 0.0607526 hours remaining, 206.585938 MB of memory in use. ENERGY: 4925600 745.2765 2069.4610 1942.4748 107.2466 -206378.7173 17872.5444 0.0000 0.0000 34120.1623 -149521.5519 297.9799 -183641.7141 -149434.4469 298.5123 75.8519 107.4357 556558.8789 13.7689 13.7774 PRESSURE: 4925800 -245.441 -123.812 -52.8828 -123.811 -105.585 -49.0473 -52.8818 -49.0475 20.3803 GPRESSURE: 4925800 -184.66 -225.165 -67.3793 -67.414 -77.1076 -140.369 -49.6137 -52.421 33.9995 PRESSAVG: 4925800 -18.0698 -9.91539 0.709098 -9.91545 11.6633 -41.0334 0.709067 -41.0335 44.608 GPRESSAVG: 4925800 -17.173 -8.68474 1.40679 -9.22094 12.4548 -42.9094 -0.432668 -42.0771 42.9382 TIMING: 4925800 CPU: 14316.4, 0.00293271/step Wall: 14316.4, 0.00293271/step, 0.0604465 hours remaining, 206.585938 MB of memory in use. ENERGY: 4925800 760.4760 2096.5013 1954.6270 94.7237 -206189.2681 17701.2125 0.0000 0.0000 34042.5614 -149539.1664 297.3022 -183581.7278 -149442.2707 298.1672 -110.2153 -75.9226 555895.8822 12.7338 12.7400 PRESSURE: 4926000 18.3496 -105.348 130.533 -105.348 -133.826 -56.466 130.532 -56.4645 -106.694 GPRESSURE: 4926000 47.0364 -179.788 121.091 -0.22991 -117.332 -120.95 87.8033 -45.2851 -55.3069 PRESSAVG: 4926000 52.7971 -18.366 13.3974 -18.366 -62.0166 -15.3662 13.3972 -15.3662 23.7887 GPRESSAVG: 4926000 52.0482 -18.8782 12.1283 -17.1689 -61.4022 -15.0145 14.9255 -11.7019 23.769 TIMING: 4926000 CPU: 14317, 0.00292318/step Wall: 14317, 0.00292318/step, 0.0600877 hours remaining, 206.585938 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: 4926000 748.5767 2083.7562 1913.2071 111.6545 -206118.2219 17700.7370 0.0000 0.0000 33917.3215 -149642.9690 296.2084 -183560.2905 -149539.8740 298.1485 -74.0568 -41.8673 556766.8695 4.8564 4.8050 PRESSURE: 4926200 86.0317 7.66994 14.1374 7.66983 96.7417 -83.5662 14.136 -83.567 200.577 GPRESSURE: 4926200 79.344 4.88327 84.6231 -3.6795 111.227 5.76024 17.7178 -21.3597 277.69 PRESSAVG: 4926200 21.6581 -37.1069 -34.7299 -37.1069 -104.543 -8.87434 -34.7299 -8.87437 57.3588 GPRESSAVG: 4926200 20.8555 -39.129 -34.0618 -38.942 -104.809 -10.026 -36.001 -10.2396 58.651 TIMING: 4926200 CPU: 14317.6, 0.0029362/step Wall: 14317.6, 0.0029362/step, 0.0601921 hours remaining, 206.585938 MB of memory in use. ENERGY: 4926200 755.5693 2095.5289 1951.2200 109.2721 -206856.3387 18225.3841 0.0000 0.0000 34181.3600 -149538.0043 298.5143 -183719.3643 -149444.9722 298.5863 127.7834 156.0868 558175.8427 -8.5085 -8.4343 PRESSURE: 4926400 4.04253 85.1758 -23.1716 85.1751 99.2874 -195.576 -23.1723 -195.578 -76.3781 GPRESSURE: 4926400 2.13524 44.581 60.0537 74.4871 154.223 -176.643 -42.6501 -152.46 -28.8617 PRESSAVG: 4926400 -26.7614 -0.276899 -3.13134 -0.276937 35.3428 17.6237 -3.13128 17.6238 25.8858 GPRESSAVG: 4926400 -25.2811 1.22117 -2.00408 1.35971 34.2505 20.12 -2.15157 15.3175 25.8694 TIMING: 4926400 CPU: 14318.2, 0.00292675/step Wall: 14318.2, 0.00292675/step, 0.0598358 hours remaining, 206.585938 MB of memory in use. ENERGY: 4926400 704.4109 2104.6318 1941.7506 106.7421 -206316.6964 17771.6114 0.0000 0.0000 34030.8545 -149656.6951 297.1999 -183687.5497 -149555.7971 297.9482 8.9839 42.4990 558073.2056 11.4891 11.6129 PRESSURE: 4926600 -196.598 142.977 49.2214 142.978 -152.647 -37.8383 49.2208 -37.8399 -349.586 GPRESSURE: 4926600 -199.943 186.059 61.9842 96.747 -82.9423 -52.0743 33.9724 -76.5429 -324.367 PRESSAVG: 4926600 -53.2348 -13.1878 9.2616 -13.1879 -11.2862 -82.8404 9.26147 -82.8404 36.4712 GPRESSAVG: 4926600 -54.449 -12.9023 7.73519 -12.8115 -10.5459 -84.0199 8.98355 -81.871 37.1882 TIMING: 4926600 CPU: 14318.8, 0.00293529/step Wall: 14318.8, 0.00293529/step, 0.0598474 hours remaining, 206.585938 MB of memory in use. ENERGY: 4926600 737.5515 2046.0913 1953.4640 112.1138 -205909.9970 17315.6297 0.0000 0.0000 34085.6352 -149659.5114 297.6783 -183745.1466 -149563.4719 298.0073 -232.9437 -202.4174 557630.4523 -9.3499 -9.2689 PRESSURE: 4926800 -342.064 -172.294 -78.5361 -172.294 -290.868 62.3783 -78.5366 62.3793 -176.532 GPRESSURE: 4926800 -302.949 -102.031 -146.034 -210.46 -268.146 30.3981 -120.252 111.185 -153.385 PRESSAVG: 4926800 -44.5297 -6.97464 43.5268 -6.97473 -23.8067 3.14709 43.5268 3.14706 56.1837 GPRESSAVG: 4926800 -43.0108 -6.45324 43.0264 -6.71602 -23.9537 4.21916 43.8155 4.43663 54.8048 TIMING: 4926800 CPU: 14319.3, 0.00294695/step Wall: 14319.3, 0.00294695/step, 0.0599213 hours remaining, 206.789062 MB of memory in use. ENERGY: 4926800 718.4714 2094.2268 1926.1637 100.0770 -206050.0430 17438.8733 0.0000 0.0000 34234.1277 -149538.1030 298.9752 -183772.2307 -149443.8949 298.4076 -269.8213 -241.4934 558589.3595 -4.0509 -4.0532 PRESSURE: 4927000 -127.941 -26.0238 43.4315 -26.0238 105.796 -107.373 43.4314 -107.373 -104.688 GPRESSURE: 4927000 -101.376 -20.0479 -30.8449 -28.352 179.368 -178.488 57.0028 -53.2798 -96.8503 PRESSAVG: 4927000 -84.5889 -32.2877 -38.2867 -32.2876 4.25732 16.0631 -38.2867 16.0632 42.423 GPRESSAVG: 4927000 -84.2442 -30.7568 -35.5726 -33.2355 3.67024 16.0787 -37.2718 15.2484 42.6006 TIMING: 4927000 CPU: 14319.9, 0.00296477/step Wall: 14319.9, 0.00296477/step, 0.060119 hours remaining, 206.789062 MB of memory in use. ENERGY: 4927000 730.6302 2037.7507 1945.3321 112.0089 -206617.7121 17850.3613 0.0000 0.0000 34277.2658 -149664.3631 299.3519 -183941.6289 -149564.3831 298.5883 -42.2775 -6.2862 558014.4330 -12.6362 -12.6578 PRESSURE: 4927200 -182.694 68.5155 -45.5696 68.5152 -205.78 -37.0187 -45.5697 -37.0188 -177.996 GPRESSURE: 4927200 -127.753 70.4114 117.155 127.285 -179.121 -17.9507 -65.6413 -2.79723 -153.243 PRESSAVG: 4927200 2.65521 -41.7368 43.2224 -41.7369 32.3887 -2.9861 43.2223 -2.98613 -64.2988 GPRESSAVG: 4927200 0.885561 -43.0373 42.3499 -40.6232 33.8488 -3.40678 41.8999 -1.86685 -64.2604 TIMING: 4927200 CPU: 14320.5, 0.00291854/step Wall: 14320.5, 0.00291854/step, 0.0590193 hours remaining, 206.789062 MB of memory in use. ENERGY: 4927200 714.9646 2084.6444 1958.0312 111.6370 -206129.5255 17665.5401 0.0000 0.0000 33881.5497 -149713.1584 295.8960 -183594.7082 -149615.3572 298.4487 -188.8231 -153.3727 559105.8906 -9.7516 -9.8420 PRESSURE: 4927400 -94.6808 11.7987 -22.3889 11.7997 -52.9725 -30.0956 -22.3884 -30.0952 103.22 GPRESSURE: 4927400 -92.0728 57.7151 44.0974 72.4268 15.6164 -65.0629 -32.7006 -48.7334 129.572 PRESSAVG: 4927400 -32.7781 -42.0575 56.6381 -42.0575 -30.0057 16.7108 56.6381 16.7109 51.3634 GPRESSAVG: 4927400 -31.7822 -39.7071 58.1398 -43.197 -30.9665 17.3506 55.6237 13.9322 51.3206 TIMING: 4927400 CPU: 14321.1, 0.0029383/step Wall: 14321.1, 0.0029383/step, 0.0592557 hours remaining, 206.789062 MB of memory in use. ENERGY: 4927400 766.9705 2104.0034 1957.6946 117.3099 -206827.8856 18098.4592 0.0000 0.0000 34023.3464 -149760.1017 297.1343 -183783.4481 -149664.7774 298.0409 -14.8111 17.7053 559269.0308 -3.8068 -3.8093 PRESSURE: 4927600 158.674 4.6315 53.5736 4.63071 -152.036 32.9051 53.5747 32.9043 155.999 GPRESSURE: 4927600 243.723 -42.8088 90.8948 27.2304 -181.316 81.2352 5.35572 66.2998 199.999 PRESSAVG: 4927600 41.0994 1.49138 16.704 1.49136 -31.0104 5.07745 16.704 5.07725 -8.39906 GPRESSAVG: 4927600 41.5298 -0.857247 16.0827 1.94017 -31.1717 3.55433 18.3734 7.01346 -8.79601 TIMING: 4927600 CPU: 14321.7, 0.00293295/step Wall: 14321.7, 0.00293295/step, 0.058985 hours remaining, 206.789062 MB of memory in use. ENERGY: 4927600 734.6162 2133.2320 1964.8502 115.5891 -206465.4988 17885.7134 0.0000 0.0000 34021.5496 -149609.9482 297.1187 -183631.4979 -149519.3266 296.6832 54.2123 87.4687 558863.6840 0.5633 0.5207 PRESSURE: 4927800 305.508 -58.9674 138.848 -58.9664 58.5012 67.2855 138.847 67.2852 -62.4166 GPRESSURE: 4927800 300.576 -72.6141 153.013 -83.6307 118.146 65.0986 106.695 64.24 -13.0918 PRESSAVG: 4927800 34.9825 19.8386 20.3668 19.8385 -37.1597 -28.439 20.3667 -28.439 7.2293 GPRESSAVG: 4927800 34.7015 20.1118 19.2034 19.4771 -37.4424 -28.0832 19.4051 -27.5496 7.36785 TIMING: 4927800 CPU: 14322.3, 0.00292054/step Wall: 14322.3, 0.00292054/step, 0.058573 hours remaining, 206.789062 MB of memory in use. ENERGY: 4927800 765.9842 2031.0675 1943.4990 105.6462 -206503.0794 18058.9385 0.0000 0.0000 34154.3743 -149443.5697 298.2786 -183597.9440 -149352.6163 297.5865 100.5309 135.2101 557930.7623 1.6840 1.5423 PRESSURE: 4928000 -152.563 -153.423 -4.21987 -153.424 13.8353 -136.476 -4.22027 -136.476 -282.971 GPRESSURE: 4928000 -116.754 -174.945 20.8026 -117.331 9.59453 -106.667 -38.8066 -207.289 -224.912 PRESSAVG: 4928000 2.9405 -93.308 14.2982 -93.308 44.3488 -29.0418 14.2981 -29.0418 -10.9063 GPRESSAVG: 4928000 1.41222 -92.6422 14.0884 -93.5877 45.0137 -29.7886 15.2959 -28.5137 -10.5212 TIMING: 4928000 CPU: 14322.9, 0.0029274/step Wall: 14322.9, 0.0029274/step, 0.0585479 hours remaining, 206.789062 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: 4928000 730.8583 2183.9493 1932.4163 112.3855 -205952.7700 17559.4396 0.0000 0.0000 34222.1712 -149211.5497 298.8707 -183433.7209 -149113.5913 298.7348 -140.5664 -110.6902 559420.8735 12.1277 11.9683 PRESSURE: 4928200 -111.223 5.31964 71.4578 5.31825 -245.218 -156.371 71.4594 -156.372 -223.377 GPRESSURE: 4928200 -28.6227 69.6009 58.7321 -19.8494 -218.931 -97.9556 -3.9083 -198.83 -232.705 PRESSAVG: 4928200 -10.0927 -54.018 -28.7521 -54.0179 74.3086 22.8773 -28.7522 22.8774 -42.1007 GPRESSAVG: 4928200 -9.93425 -52.5173 -29.0879 -55.8287 74.448 22.8523 -29.9233 22.9096 -42.4407 TIMING: 4928200 CPU: 14323.5, 0.00293533/step Wall: 14323.5, 0.00293533/step, 0.0585436 hours remaining, 206.789062 MB of memory in use. ENERGY: 4928200 727.2544 2072.8004 1921.4324 126.4702 -205645.8318 17613.0526 0.0000 0.0000 34038.3259 -149146.4960 297.2652 -183184.8218 -149048.3980 299.5022 -193.2730 -160.0863 558725.3692 7.3718 7.3577 LDB: ============= START OF LOAD BALANCING ============== 14326.9 LDB: ============== END OF LOAD BALANCING =============== 14326.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14326.9 LDB: ============= START OF LOAD BALANCING ============== 14327.2 LDB: Largest compute 4848 load 0.029773 is 25.3% of average load 0.117801 LDB: Average compute 0.001731 is 1.5% of average load 0.117801 LDB: TIME 14327.2 LOAD: AVG 0.117801 MAX 0.192442 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 209.609 MB LDB: TIME 14327.2 LOAD: AVG 0.117801 MAX 0.192442 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.812 MB LDB: TIME 14327.2 LOAD: AVG 0.117801 MAX 0.192442 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 209.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14327.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14327.2 PRESSURE: 4928400 -89.6888 -111.284 106.657 -111.283 28.2321 110.225 106.659 110.225 99.8037 GPRESSURE: 4928400 -112.35 -29.2587 15.5996 -102.277 116.107 0.62673 105.26 221.637 130.342 PRESSAVG: 4928400 14.9903 -31.7659 10.8847 -31.7659 27.152 65.5574 10.8847 65.5574 -31.9608 GPRESSAVG: 4928400 15.7026 -32.2844 10.6033 -30.72 26.0689 67.465 11.7846 61.774 -31.9258 TIMING: 4928400 CPU: 14324.1, 0.00299521/step Wall: 14324.1, 0.00299521/step, 0.0595715 hours remaining, 207.250000 MB of memory in use. ENERGY: 4928400 739.4259 2103.3974 1954.7790 113.7930 -205990.1387 17693.4564 0.0000 0.0000 34347.6037 -149037.6833 299.9662 -183385.2870 -148938.6983 299.3612 12.7824 44.6994 556727.1574 3.3938 3.2819 PRESSURE: 4928600 174.606 -29.3754 33.0081 -29.3762 257.379 -57.9683 33.0078 -57.9671 -137.639 GPRESSURE: 4928600 209.438 -37.197 19.062 -14.2521 286.337 -39.407 37.9001 -126.715 -89.2996 PRESSAVG: 4928600 -45.666 -37.5984 13.2317 -37.5983 83.7957 -16.512 13.2317 -16.5119 -29.831 GPRESSAVG: 4928600 -45.8422 -39.1167 13.4583 -36.948 84.7739 -17.9914 12.4596 -14.6015 -30.2935 TIMING: 4928600 CPU: 14324.6, 0.00291767/step Wall: 14324.6, 0.00291767/step, 0.0578672 hours remaining, 207.250000 MB of memory in use. ENERGY: 4928600 698.9589 2041.0876 1979.1396 127.7288 -206108.4453 17720.4946 0.0000 0.0000 34300.1099 -149240.9257 299.5514 -183541.0357 -149142.5423 299.2119 98.1154 135.4919 555050.5296 2.7662 2.8794 PRESSURE: 4928800 -63.8711 175.503 158.417 175.502 -151.644 33.0172 158.415 33.0161 -195.434 GPRESSURE: 4928800 -2.38128 232.812 164.854 167.771 -141.218 17.4291 196.341 -24.3512 -169.531 PRESSAVG: 4928800 -39.9909 -12.4206 39.8241 -12.4206 71.2832 -31.3235 39.8241 -31.3235 -45.6567 GPRESSAVG: 4928800 -39.708 -13.8739 39.0975 -12.7045 71.3126 -29.8611 39.3255 -31.54 -45.635 TIMING: 4928800 CPU: 14325.2, 0.00294782/step Wall: 14325.2, 0.00294782/step, 0.0583014 hours remaining, 207.250000 MB of memory in use. ENERGY: 4928800 767.7447 2083.0392 1952.1287 108.7512 -206158.9079 17612.3526 0.0000 0.0000 34406.4186 -149228.4728 300.4798 -183634.8914 -149129.8429 298.8805 -136.9830 -104.3768 554906.8049 -4.7881 -4.6768 PRESSURE: 4929000 -131.72 128.392 -142.604 128.392 -63.5388 37.6146 -142.604 37.614 -8.17434 GPRESSURE: 4929000 -95.5976 163.412 -165.698 51.4297 39.8573 -7.68728 -167.925 39.6775 -57.8143 PRESSAVG: 4929000 -46.2195 -36.3238 39.1557 -36.3239 25.933 39.43 39.1557 39.43 25.2704 GPRESSAVG: 4929000 -45.3792 -35.163 38.7639 -36.2721 24.968 37.5563 40.2336 40.6459 24.599 TIMING: 4929000 CPU: 14325.8, 0.00295887/step Wall: 14325.8, 0.00295887/step, 0.0583555 hours remaining, 207.250000 MB of memory in use. ENERGY: 4929000 748.4622 2094.1053 1940.9526 110.7507 -206050.5838 17646.9634 0.0000 0.0000 34186.6357 -149322.7140 298.5604 -183509.3497 -149221.0369 298.6343 -67.8110 -37.8515 557375.1477 1.6613 1.3960 PRESSURE: 4929200 -283.906 -17.8588 -64.0337 -17.8587 -226.413 34.2965 -64.0327 34.2972 37.8624 GPRESSURE: 4929200 -284.596 -45.014 -152.444 -17.7362 -189.245 86.1319 2.85486 -18.3121 103.85 PRESSAVG: 4929200 -40.853 -31.7813 25.8661 -31.7814 26.1104 8.79765 25.866 8.79778 24.8109 GPRESSAVG: 4929200 -42.9184 -31.3905 26.6134 -32.7969 27.6572 8.63715 24.1955 7.19733 25.0243 TIMING: 4929200 CPU: 14326.4, 0.00294727/step Wall: 14326.4, 0.00294727/step, 0.0579629 hours remaining, 207.250000 MB of memory in use. ENERGY: 4929200 707.6851 2107.1366 1924.8888 115.6752 -206241.9922 17682.0854 0.0000 0.0000 34300.6995 -149403.8216 299.5565 -183704.5212 -149307.7328 298.7825 -157.4857 -123.3305 557793.7064 3.3561 3.2544 PRESSURE: 4929400 43.7877 54.357 -21.1463 54.3574 68.4647 92.4997 -21.1457 92.4996 -174.33 GPRESSURE: 4929400 107.869 43.9903 45.6257 79.3808 78.3803 23.3568 -53.7393 76.0006 -158.93 PRESSAVG: 4929400 -28.5433 36.1412 -27.9878 36.1412 45.1221 36.2605 -27.9878 36.2603 -11.1588 GPRESSAVG: 4929400 -28.7541 36.3363 -28.3907 37.6886 44.5564 38.8505 -26.2832 37.5781 -10.5315 TIMING: 4929400 CPU: 14327, 0.00296622/step Wall: 14327, 0.00296622/step, 0.0581709 hours remaining, 207.250000 MB of memory in use. ENERGY: 4929400 730.0968 2146.7052 1976.5705 126.9875 -206183.7119 17841.0015 0.0000 0.0000 33944.1423 -149418.2082 296.4426 -183362.3504 -149319.4167 298.2837 -20.6926 9.1066 557427.5134 1.8066 1.7570 PRESSURE: 4929600 233.936 -17.108 -108.519 -17.1074 103.151 41.7047 -108.519 41.7039 145.594 GPRESSURE: 4929600 312.033 -14.8728 -159.845 -9.06985 131.822 -73.6369 -59.2946 74.2711 139.232 PRESSAVG: 4929600 9.64191 41.201 5.34791 41.2011 -19.467 -5.45995 5.34785 -5.46001 8.27738 GPRESSAVG: 4929600 10.3317 39.7212 6.58001 41.5984 -19.1011 -5.30208 4.22122 -7.50336 7.02725 TIMING: 4929600 CPU: 14327.6, 0.0029667/step Wall: 14327.6, 0.0029667/step, 0.0580154 hours remaining, 207.250000 MB of memory in use. ENERGY: 4929600 740.3047 2075.3000 1967.7536 102.0106 -206800.7281 18129.2222 0.0000 0.0000 34177.8230 -149608.3140 298.4834 -183786.1370 -149518.0185 297.8120 160.8934 194.3623 557220.6940 -0.5159 -0.5807 PRESSURE: 4929800 -112.283 -156.692 31.2478 -156.693 -139.538 -25.5854 31.2474 -25.5859 275.567 GPRESSURE: 4929800 -87.5555 -145.949 36.52 -167.016 -32.1102 -31.4695 -10.7397 59.7791 245.951 PRESSAVG: 4929800 -1.73753 19.1155 43.1165 19.1156 -22.6681 -3.73462 43.1165 -3.73458 15.1281 GPRESSAVG: 4929800 -1.85427 20.3297 43.5199 18.9997 -23.0921 -5.07328 41.8709 0.303596 15.7364 TIMING: 4929800 CPU: 14328.2, 0.00296235/step Wall: 14328.2, 0.00296235/step, 0.0577657 hours remaining, 207.250000 MB of memory in use. ENERGY: 4929800 779.5619 2086.7530 1964.5729 120.9961 -206537.8963 17979.1073 0.0000 0.0000 34165.6530 -149441.2522 298.3771 -183606.9052 -149355.7715 297.9998 7.9154 42.0952 557305.2917 -3.0925 -3.0700 PRESSURE: 4930000 -69.5587 -21.9577 50.1969 -21.9569 195.142 51.3127 50.1961 51.313 -66.9748 GPRESSURE: 4930000 -32.2443 -47.6327 35.8517 -5.889 228.119 18.48 53.9669 -5.48373 -45.1651 PRESSAVG: 4930000 -15.9151 -39.4722 -7.59652 -39.4721 63.5975 -52.4766 -7.59651 -52.4766 -78.2146 GPRESSAVG: 4930000 -16.1851 -39.2196 -11.1136 -40.8963 63.3402 -51.9117 -4.35849 -54.7681 -77.7982 TIMING: 4930000 CPU: 14328.8, 0.00292925/step Wall: 14328.8, 0.00292925/step, 0.0569576 hours remaining, 207.250000 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: 4930000 719.3446 2111.0275 1945.2403 117.0652 -206143.6864 17836.5797 0.0000 0.0000 34056.5006 -149357.9285 297.4239 -183414.4291 -149265.6098 298.1971 19.5361 50.2366 558319.4098 -10.1774 -10.2144 PRESSURE: 4930200 219.783 -22.3 210.709 -22.2998 -60.897 153.455 210.709 153.454 343.113 GPRESSURE: 4930200 251.546 -40.8493 187.241 -28.1233 -26.5271 160.764 191.503 182.449 364.338 PRESSAVG: 4930200 -18.1748 -65.1669 73.4271 -65.1668 21.5538 -26.8366 73.4271 -26.8366 -17.9131 GPRESSAVG: 4930200 -18.7987 -65.0882 75.4644 -63.7909 22.2309 -26.858 72.7124 -28.3715 -17.9785 TIMING: 4930200 CPU: 14329.4, 0.00294572/step Wall: 14329.4, 0.00294572/step, 0.0571143 hours remaining, 207.250000 MB of memory in use. ENERGY: 4930200 707.5775 2114.4572 1968.7672 117.9729 -206699.1047 18211.2251 0.0000 0.0000 34199.8459 -149379.2588 298.6758 -183579.1047 -149281.1819 298.4827 167.3330 196.4525 557713.5455 -4.8447 -4.8488 PRESSURE: 4930400 -160.021 -26.0528 -81.2438 -26.0529 127.551 192.133 -81.2437 192.134 23.3253 GPRESSURE: 4930400 -142.092 -27.1188 29.471 -19.1274 161.514 179.989 -144.232 232.03 63.946 PRESSAVG: 4930400 -59.8909 8.02332 31.8123 8.0233 1.51231 39.135 31.8123 39.1351 38.409 GPRESSAVG: 4930400 -59.4996 8.50101 32.3983 6.1258 1.9119 38.5408 31.8014 41.2423 37.9523 TIMING: 4930400 CPU: 14329.9, 0.0029242/step Wall: 14329.9, 0.0029242/step, 0.0565346 hours remaining, 207.250000 MB of memory in use. ENERGY: 4930400 733.4753 2002.5310 1961.7781 119.8910 -206296.2521 17867.6847 0.0000 0.0000 34136.8709 -149474.0211 298.1258 -183610.8919 -149376.0265 298.8097 -3.0482 27.7895 558146.5836 -6.6565 -6.5451 PRESSURE: 4930600 -118.389 -153.539 203.563 -153.539 176.129 109.792 203.563 109.793 -59.3301 GPRESSURE: 4930600 -100.674 -155.839 179.68 -192.188 227.805 71.479 171.543 1.36527 -26.2537 PRESSAVG: 4930600 -75.2023 -26.1662 17.5057 -26.1663 48.3283 34.7243 17.5057 34.7243 16.4906 GPRESSAVG: 4930600 -76.184 -25.7191 16.148 -24.9461 47.7481 36.5013 17.0752 32.8323 17.55 TIMING: 4930600 CPU: 14330.5, 0.00292434/step Wall: 14330.5, 0.00292434/step, 0.0563747 hours remaining, 207.250000 MB of memory in use. ENERGY: 4930600 758.0207 2098.2553 1918.1002 109.9060 -206352.3180 17949.2221 0.0000 0.0000 33823.1834 -149695.6303 295.3863 -183518.8137 -149607.7145 297.5069 -0.5300 33.6260 557770.4282 -3.4612 -3.6286 PRESSURE: 4930800 -411.209 -51.654 -5.02093 -51.6541 -68.1438 -15.668 -5.02123 -15.669 -27.3688 GPRESSURE: 4930800 -328.428 -84.0436 35.609 -107.793 -97.0797 -69.3833 -5.81973 -46.9281 5.37854 PRESSAVG: 4930800 -68.4698 -7.02625 34.7161 -7.02607 77.6288 -0.497572 34.716 -0.497596 -8.35961 GPRESSAVG: 4930800 -66.8722 -11.8336 33.9812 -4.63674 76.5927 -3.12262 35.7399 0.616526 -8.97736 TIMING: 4930800 CPU: 14331.1, 0.00296106/step Wall: 14331.1, 0.00296106/step, 0.0569182 hours remaining, 207.250000 MB of memory in use. ENERGY: 4930800 728.1747 2085.1002 1934.9158 118.7010 -205926.6968 17381.0186 0.0000 0.0000 34111.3364 -149567.4502 297.9028 -183678.7865 -149471.5730 297.9604 -168.9072 -140.0430 558873.6096 0.2665 0.2477 PRESSURE: 4931000 -29.0867 -147.417 70.3199 -147.417 -12.1781 123.517 70.3209 123.518 -51.5514 GPRESSURE: 4931000 20.2188 -169.133 32.2207 -127.078 -5.22982 79.7725 87.4324 76.8565 -18.383 PRESSAVG: 4931000 -4.31018 27.3773 -9.60755 27.3774 -50.0076 -23.8519 -9.60752 -23.8519 36.27 GPRESSAVG: 4931000 -5.35993 30.0343 -6.92876 24.7261 -48.0205 -24.5963 -12.4423 -22.077 35.7661 TIMING: 4931000 CPU: 14331.7, 0.00291458/step Wall: 14331.7, 0.00291458/step, 0.0558628 hours remaining, 207.250000 MB of memory in use. ENERGY: 4931000 783.7640 2116.3546 1930.4450 118.4410 -206490.6087 18067.1074 0.0000 0.0000 34036.0569 -149438.4398 297.2453 -183474.4966 -149348.9179 298.5104 -30.9387 -1.1313 558865.3550 -6.0159 -5.8714 PRESSURE: 4931200 88.7063 203.194 14.4978 203.193 -154.594 -1.52837 14.4973 -1.52692 49.1762 GPRESSURE: 4931200 121.639 185.9 -9.8746 162.368 -103.199 -41.646 95.4146 0.610168 50.3418 PRESSAVG: 4931200 -25.0432 -46.3683 37.7775 -46.3682 -42.1698 -9.31038 37.7774 -9.31032 49.436 GPRESSAVG: 4931200 -24.9091 -44.9647 36.7601 -45.6527 -43.0338 -8.99447 38.6289 -13.3243 49.452 TIMING: 4931200 CPU: 14332.3, 0.00292713/step Wall: 14332.3, 0.00292713/step, 0.0559408 hours remaining, 207.250000 MB of memory in use. ENERGY: 4931200 719.7520 2151.6849 1922.4963 96.4824 -206514.9738 17910.5096 0.0000 0.0000 34169.8273 -149544.2214 298.4136 -183714.0486 -149446.7648 297.9469 -5.5705 22.9273 558386.3092 -5.9257 -6.1636 PRESSURE: 4931400 159.771 -47.0697 208.323 -47.07 205.181 203.769 208.321 203.77 84.6027 GPRESSURE: 4931400 210.679 -50.2296 142.497 -38.9111 201.483 148.941 208.232 166.934 119.478 PRESSAVG: 4931400 -0.294902 10.1432 33.7468 10.143 16.6142 17.9058 33.7468 17.9058 -2.63086 GPRESSAVG: 4931400 -0.334959 9.4635 32.9032 7.98996 16.5644 17.8478 36.1859 20.2798 -2.74438 TIMING: 4931400 CPU: 14332.9, 0.00294121/step Wall: 14332.9, 0.00294122/step, 0.0560465 hours remaining, 207.250000 MB of memory in use. ENERGY: 4931400 737.6833 2102.9038 1947.6178 106.3139 -206703.2400 18116.1688 0.0000 0.0000 33979.5038 -149713.0487 296.7515 -183692.5524 -149617.5764 298.0984 149.8516 177.2131 557272.6895 4.5628 4.4950 PRESSURE: 4931600 -77.362 45.9976 21.8154 45.9965 31.8466 -11.2961 21.8157 -11.2945 -270.845 GPRESSURE: 4931600 14.0939 92.5908 30.1306 -41.2485 23.5856 86.1819 31.2452 42.5433 -247.995 PRESSAVG: 4931600 72.0712 -64.3299 -1.78931 -64.33 -49.0007 14.0718 -1.78919 14.0718 -20.6006 GPRESSAVG: 4931600 72.9079 -64.0292 0.990111 -64.0707 -49.4939 16.3213 -4.25665 13.4994 -20.2671 TIMING: 4931600 CPU: 14333.5, 0.00290014/step Wall: 14333.5, 0.00290014/step, 0.0551026 hours remaining, 207.250000 MB of memory in use. ENERGY: 4931600 750.0393 2034.3690 1957.2656 106.4877 -206250.4506 17677.9392 0.0000 0.0000 34008.1752 -149716.1745 297.0019 -183724.3497 -149622.1074 297.4382 -105.4533 -70.1052 559196.9378 0.8233 1.0490 PRESSURE: 4931800 -45.1548 95.7977 -97.3139 95.7985 -163.868 117.58 -97.3122 117.58 -61.4576 GPRESSURE: 4931800 16.0004 141.891 -155.803 46.0593 -146.966 98.4245 -77.7516 51.1741 -41.9558 PRESSAVG: 4931800 98.6835 1.44257 -18.1373 1.44263 -74.6785 35.831 -18.1373 35.8309 -93.6788 GPRESSAVG: 4931800 98.1663 1.88718 -21.8618 3.23983 -75.3977 33.4221 -15.2294 36.8887 -92.4589 TIMING: 4931800 CPU: 14334, 0.00292307/step Wall: 14334, 0.00292307/step, 0.055376 hours remaining, 207.300781 MB of memory in use. ENERGY: 4931800 756.3702 2124.7955 1947.0948 102.1646 -206523.0771 18042.4274 0.0000 0.0000 34012.0214 -149538.2031 297.0354 -183550.2245 -149440.7250 297.5230 -90.1600 -57.6405 558975.0665 -23.2246 -23.2301 PRESSURE: 4932000 -22.2718 -15.2012 50.8984 -15.2003 -92.6209 -144.749 50.8988 -144.748 89.7667 GPRESSURE: 4932000 -62.8458 -96.4649 99.7192 99.7995 -30.1626 -101.28 17.562 -82.0043 165.073 PRESSAVG: 4932000 72.832 -57.624 75.9095 -57.624 -28.7269 14.8556 75.9095 14.8554 -11.409 GPRESSAVG: 4932000 73.0858 -59.6874 77.6815 -56.8033 -27.7912 15.9149 74.1436 15.0468 -12.5943 TIMING: 4932000 CPU: 14334.6, 0.00292103/step Wall: 14334.6, 0.00292103/step, 0.055175 hours remaining, 207.300781 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: 4932000 733.2490 2062.5404 1937.2852 102.6857 -206528.2793 17988.3330 0.0000 0.0000 34207.2575 -149496.9283 298.7405 -183704.1859 -149403.4495 298.0814 -8.3753 24.0215 558572.6664 10.8987 10.9001 PRESSURE: 4932200 27.7805 209.547 83.6277 209.548 -72.2868 -39.8449 83.6276 -39.8454 -290.872 GPRESSURE: 4932200 23.9555 171.113 3.44921 219.829 -20.0512 3.03407 137.124 -1.67593 -238.055 PRESSAVG: 4932200 83.0682 -11.6073 3.95799 -11.6074 -24.4607 -32.509 3.95803 -32.509 9.55869 GPRESSAVG: 4932200 82.1844 -10.2621 2.75332 -13.9544 -24.6531 -32.8589 5.96252 -33.733 9.79822 TIMING: 4932200 CPU: 14335.2, 0.00293019/step Wall: 14335.2, 0.00293019/step, 0.0551853 hours remaining, 207.300781 MB of memory in use. ENERGY: 4932200 743.8221 2055.8181 1976.3070 114.8012 -206133.0915 17641.2377 0.0000 0.0000 34161.7352 -149439.3701 298.3429 -183601.1053 -149343.2274 298.6255 -111.7926 -78.0503 556949.8532 22.7221 22.4432 LDB: ============= START OF LOAD BALANCING ============== 14338.7 LDB: ============== END OF LOAD BALANCING =============== 14338.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14338.7 LDB: ============= START OF LOAD BALANCING ============== 14339 LDB: Largest compute 4848 load 0.029452 is 25.0% of average load 0.117852 LDB: Average compute 0.001728 is 1.5% of average load 0.117852 LDB: TIME 14339 LOAD: AVG 0.117852 MAX 0.195538 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.617 MB LDB: TIME 14339 LOAD: AVG 0.117852 MAX 0.195538 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: TIME 14339 LOAD: AVG 0.117852 MAX 0.195538 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.617 MB LDB: ============== END OF LOAD BALANCING =============== 14339 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14339 PRESSURE: 4932400 18.6681 -89.5538 127.935 -89.5535 -113.64 -47.1931 127.934 -47.1922 98.0499 GPRESSURE: 4932400 54.4793 -86.54 62.7911 -130.144 -56.7557 -83.3969 116.847 -44.7914 96.0861 PRESSAVG: 4932400 1.42204 -17.7481 50.8597 -17.7482 -3.33697 -14.1088 50.8597 -14.1087 42.9273 GPRESSAVG: 4932400 1.56486 -16.7787 51.6543 -18.3239 -2.30682 -12.1817 48.8148 -15.0021 41.2576 TIMING: 4932400 CPU: 14335.8, 0.00298132/step Wall: 14335.8, 0.00298132/step, 0.0559825 hours remaining, 207.867188 MB of memory in use. ENERGY: 4932400 758.7685 2059.9709 1977.7051 114.8615 -206290.7381 17681.9481 0.0000 0.0000 34315.2359 -149382.2481 299.6835 -183697.4840 -149289.8836 298.6657 1.0260 31.2699 556971.7968 13.6708 13.5052 PRESSURE: 4932600 -286.335 -35.7877 173.467 -35.7864 215.829 -57.0957 173.467 -57.097 -213.617 GPRESSURE: 4932600 -293.287 -34.9312 111.986 4.07632 225.617 -80.4036 159.04 -96.6444 -108.636 PRESSAVG: 4932600 -12.1575 40.9357 10.4235 40.9357 -43.1453 13.5088 10.4235 13.5087 30.6605 GPRESSAVG: 4932600 -12.8234 39.9341 11.985 42.6167 -43.8372 10.861 11.9748 15.0282 31.8824 TIMING: 4932600 CPU: 14336.4, 0.0029062/step Wall: 14336.4, 0.0029062/step, 0.0544106 hours remaining, 208.234375 MB of memory in use. ENERGY: 4932600 787.6871 2038.2017 1958.7369 112.1071 -206365.1836 17756.8708 0.0000 0.0000 34242.7009 -149468.8792 299.0500 -183711.5801 -149374.9574 298.4644 -94.7077 -58.7688 558225.6260 -8.2141 -8.2594 PRESSURE: 4932800 -152.794 -130.407 25.475 -130.407 -60.0812 54.8721 25.4746 54.8724 -50.6056 GPRESSURE: 4932800 -93.3584 -136.72 133.933 -71.8621 -26.8193 86.273 -16.0797 19.2488 -37.858 PRESSAVG: 4932800 -29.39 11.1409 15.9152 11.1409 36.9481 -43.9702 15.9152 -43.97 33.501 GPRESSAVG: 4932800 -29.078 12.887 14.8272 8.092 36.9875 -42.5847 15.5218 -44.9357 33.4282 TIMING: 4932800 CPU: 14337, 0.00291669/step Wall: 14337, 0.00291669/step, 0.0544449 hours remaining, 208.234375 MB of memory in use. ENERGY: 4932800 753.9403 2097.6004 1947.0190 117.6518 -206415.6349 17904.5676 0.0000 0.0000 34125.4356 -149469.4202 298.0259 -183594.8557 -149376.0906 298.5136 -87.8271 -52.6786 557693.4378 13.6864 13.7792 PRESSURE: 4933000 210.127 52.7391 -137.545 52.7392 -69.4261 105.832 -137.544 105.833 108.749 GPRESSURE: 4933000 216.024 44.2588 -189.096 33.1199 -39.8357 179.072 -164.218 58.2064 179.902 PRESSAVG: 4933000 -57.5248 -41.8064 -37.86 -41.8064 -52.1275 -6.96905 -37.86 -6.96906 80.2932 GPRESSAVG: 4933000 -56.6292 -42.8861 -38.968 -38.5396 -52.4254 -7.99668 -39.0124 -6.85204 79.4068 TIMING: 4933000 CPU: 14337.6, 0.00293116/step Wall: 14337.6, 0.00293116/step, 0.0545521 hours remaining, 208.234375 MB of memory in use. ENERGY: 4933000 720.9205 2032.2667 1959.8837 118.1092 -206539.1004 17976.3591 0.0000 0.0000 34278.7012 -149452.8599 299.3644 -183731.5611 -149357.5639 298.1590 83.1500 118.6969 555407.6142 -9.7864 -9.8826 PRESSURE: 4933200 -96.1399 -39.8768 33.6815 -39.8755 45.2365 251.364 33.6814 251.365 272.429 GPRESSURE: 4933200 -14.8029 -16.2237 22.0131 -86.1147 133.239 237.413 47.4993 296.399 197.843 PRESSAVG: 4933200 -19.5706 -35.6881 -32.0997 -35.6882 -35.0205 25.3569 -32.0997 25.3569 25.2899 GPRESSAVG: 4933200 -19.7014 -34.8786 -31.1175 -34.3094 -34.2241 25.1482 -32.0654 26.1707 24.5758 TIMING: 4933200 CPU: 14338.1, 0.00293561/step Wall: 14338.1, 0.00293561/step, 0.0544719 hours remaining, 208.234375 MB of memory in use. ENERGY: 4933200 729.3950 2097.9605 1941.2014 106.9532 -206601.4694 18033.5662 0.0000 0.0000 34252.7668 -149439.6264 299.1379 -183692.3932 -149348.4912 298.4547 73.8418 105.4263 556202.8709 -9.7671 -9.7832 PRESSURE: 4933400 12.9197 228.312 79.402 228.312 -5.98594 -88.1232 79.4031 -88.1254 -164.868 GPRESSURE: 4933400 55.8421 232.419 125.522 266.283 42.9819 -100.648 49.1411 -117.573 -149.536 PRESSAVG: 4933400 -56.1627 -14.8565 2.10366 -14.8565 25.115 12.0567 2.10369 12.0568 27.2358 GPRESSAVG: 4933400 -55.7815 -13.1983 2.88012 -19.0691 23.3651 14.4483 1.92215 11.3497 28.3311 TIMING: 4933400 CPU: 14338.7, 0.00291887/step Wall: 14338.7, 0.00291887/step, 0.0539991 hours remaining, 208.234375 MB of memory in use. ENERGY: 4933400 713.6057 2062.1246 1954.7236 127.6089 -206199.2176 17692.8314 0.0000 0.0000 34335.0458 -149313.2776 299.8565 -183648.3234 -149212.5375 299.3814 -52.6449 -16.9041 557051.1853 -1.2706 -1.3618 PRESSURE: 4933600 21.3003 -31.7356 -28.6652 -31.734 -41.9257 -30.2636 -28.6652 -30.2623 -29.2147 GPRESSURE: 4933600 54.6937 -81.8935 -18.3005 -24.9504 -42.2079 -5.3313 -33.2893 -83.0112 41.1249 PRESSAVG: 4933600 48.8845 25.8687 -42.9933 25.8686 10.2547 -79.6486 -42.9933 -79.6485 -30.653 GPRESSAVG: 4933600 48.8406 23.7044 -43.8612 27.8966 11.5608 -81.0543 -41.2785 -80.4313 -32.7141 TIMING: 4933600 CPU: 14339.3, 0.00290269/step Wall: 14339.3, 0.00290269/step, 0.0535386 hours remaining, 208.234375 MB of memory in use. ENERGY: 4933600 688.9480 2057.9856 1956.1083 113.8883 -206113.4574 17738.8444 0.0000 0.0000 34139.3590 -149418.3239 298.1475 -183557.6828 -149321.9298 298.4998 -16.6134 17.8702 557403.2094 9.4954 9.2291 PRESSURE: 4933800 36.7173 -24.4514 142.725 -24.4525 -10.1375 107.12 142.725 107.12 88.1452 GPRESSURE: 4933800 83.2672 52.2063 115 -117.641 13.6566 125.185 152.302 122.077 111.993 PRESSAVG: 4933800 12.1203 -38.0547 26.7373 -38.0547 -11.1435 7.61946 26.7373 7.61948 6.52304 GPRESSAVG: 4933800 10.8483 -37.6781 26.8896 -38.0757 -13.5973 8.49463 24.7481 6.57032 10.4674 TIMING: 4933800 CPU: 14339.9, 0.00289474/step Wall: 14339.9, 0.00289474/step, 0.053231 hours remaining, 208.500000 MB of memory in use. ENERGY: 4933800 736.0695 2074.2327 1953.7816 110.1084 -206364.3997 17929.7648 0.0000 0.0000 34255.3163 -149305.1265 299.1602 -183560.4427 -149217.0009 298.5260 38.2417 69.6391 556683.0588 2.4999 2.5728 PRESSURE: 4934000 -69.5851 151.322 43.0683 151.321 -250.164 -65.3725 43.0686 -65.3722 -2.77649 GPRESSURE: 4934000 -56.4488 153.211 16.0823 133.715 -207.725 -32.7801 38.6655 -56.5413 34.3375 PRESSAVG: 4934000 -34.8458 -23.7654 47.0497 -23.7655 15.9973 37.083 47.0497 37.083 5.88582 GPRESSAVG: 4934000 -33.9406 -24.2511 47.9897 -22.5409 17.0038 35.3155 47.6548 40.2712 3.85616 TIMING: 4934000 CPU: 14340.5, 0.00288595/step Wall: 14340.5, 0.00288595/step, 0.052909 hours remaining, 208.500000 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: 4934000 709.6702 2092.4295 1930.4084 118.1156 -205940.2651 17635.8309 0.0000 0.0000 33971.2423 -149482.5682 296.6793 -183453.8105 -149382.1120 298.3294 -107.5086 -76.6122 558179.3281 -4.3209 -4.3602 PRESSURE: 4934200 76.1915 60.968 -94.1034 60.9685 9.31363 -111.67 -94.104 -111.671 -183.48 GPRESSURE: 4934200 140.251 100.302 -140.249 103.922 41.314 -89.4181 -85.6783 -32.2795 -173.083 PRESSAVG: 4934200 -13.4569 49.4567 -17.3475 49.4567 -7.26233 -12.6758 -17.3475 -12.6758 -19.3874 GPRESSAVG: 4934200 -12.9385 50.754 -18.7679 48.2895 -7.61123 -11.2368 -16.4961 -12.318 -18.9666 TIMING: 4934200 CPU: 14341, 0.00290401/step Wall: 14341, 0.00290401/step, 0.0530789 hours remaining, 208.500000 MB of memory in use. ENERGY: 4934200 749.2184 2087.8655 1904.4655 98.4949 -206316.5554 17862.4571 0.0000 0.0000 34161.1198 -149452.9341 298.3376 -183614.0540 -149361.9907 297.9994 -32.6583 2.8271 557946.7387 -13.3689 -13.1721 PRESSURE: 4934400 28.1457 -58.7996 -136.039 -58.8004 -141.643 -64.6011 -136.04 -64.6001 -313.97 GPRESSURE: 4934400 16.6879 -123.106 -115.092 -11.5935 -58.4289 -12.4134 -134.298 -125.473 -295.965 PRESSAVG: 4934400 57.3107 60.6769 -56.4764 60.6769 -29.8101 32.6096 -56.4764 32.6096 -16.8481 GPRESSAVG: 4934400 56.2759 59.7896 -55.2897 60.17 -28.5096 32.0258 -56.6847 30.9247 -16.694 TIMING: 4934400 CPU: 14341.6, 0.00291783/step Wall: 14341.6, 0.00291783/step, 0.0531694 hours remaining, 208.500000 MB of memory in use. ENERGY: 4934400 757.0667 2061.9798 1939.6382 95.4187 -206149.0568 17895.6472 0.0000 0.0000 33932.6235 -149466.6827 296.3420 -183399.3062 -149375.0479 298.0210 -142.4891 -112.5686 558567.5474 3.5508 3.6907 PRESSURE: 4934600 116.093 -149.57 145.453 -149.569 206.537 -120.263 145.454 -120.263 83.0296 GPRESSURE: 4934600 139.742 -145.823 163.143 -104.714 255.866 -33.9627 116.229 -121.182 98.0729 PRESSAVG: 4934600 0.140226 18.9609 -12.6447 18.961 8.99888 -39.5531 -12.6447 -39.5531 14.2597 GPRESSAVG: 4934600 -1.0685 18.7369 -12.4722 18.3543 9.17255 -38.5773 -12.3974 -39.206 14.884 TIMING: 4934600 CPU: 14342.2, 0.0029286/step Wall: 14342.2, 0.0029286/step, 0.0532029 hours remaining, 208.500000 MB of memory in use. ENERGY: 4934600 735.5971 2055.5778 1964.4701 91.3916 -206378.4744 18017.5032 0.0000 0.0000 34188.2263 -149325.7085 298.5743 -183513.9347 -149225.6422 298.3970 135.2200 164.5605 558262.9486 7.7996 7.6627 PRESSURE: 4934800 173.372 114.281 -111.052 114.281 -156.82 1.32584 -111.053 1.32575 145.207 GPRESSURE: 4934800 254.003 144.923 -57.1146 101.339 -137.718 -6.95932 -73.3003 37.6263 157.194 PRESSAVG: 4934800 -22.5578 -12.538 3.14767 -12.538 17.0757 -47.1338 3.14772 -47.1337 -16.8985 GPRESSAVG: 4934800 -21.2449 -12.7744 3.03777 -13.6092 16.942 -49.534 2.4558 -45.185 -18.2561 TIMING: 4934800 CPU: 14342.8, 0.00293306/step Wall: 14342.8, 0.00293306/step, 0.0531211 hours remaining, 208.500000 MB of memory in use. ENERGY: 4934800 742.7553 2053.5345 1939.7255 117.2246 -206368.3537 17879.7009 0.0000 0.0000 34062.7805 -149572.6325 297.4787 -183635.4129 -149468.2191 298.4285 53.9197 91.1597 557230.6077 -7.4602 -7.5197 PRESSURE: 4935000 323.082 17.4661 33.7196 17.465 70.7987 -178.06 33.7202 -178.062 -86.7372 GPRESSURE: 4935000 381.325 -1.6256 86.004 46.4868 109.37 -186.747 -23.5331 -113.156 -82.896 PRESSAVG: 4935000 12.3316 -43.1673 -42.5392 -43.1673 -0.575238 -16.9588 -42.5391 -16.9588 -8.66755 GPRESSAVG: 4935000 11.9938 -42.9323 -41.3114 -42.1367 -1.26773 -17.0417 -44.164 -18.3659 -8.10776 TIMING: 4935000 CPU: 14343.4, 0.00290565/step Wall: 14343.4, 0.00290565/step, 0.0524632 hours remaining, 208.500000 MB of memory in use. ENERGY: 4935000 712.1897 2089.6747 1964.4212 101.1522 -206651.4265 18010.9144 0.0000 0.0000 34197.0457 -149576.0286 298.6513 -183773.0744 -149480.9851 298.1648 102.3813 135.9328 558289.7635 1.0296 0.8728 PRESSURE: 4935200 186.008 -38.4543 -7.63973 -38.453 -95.5497 -74.7217 -7.64015 -74.7222 -79.5512 GPRESSURE: 4935200 214.46 -41.8565 -83.714 -29.4783 -41.4217 -98.8261 -59.6088 -34.7802 -61.2941 PRESSAVG: 4935200 12.3713 -52.9852 14.2012 -52.9853 -48.3447 -79.0994 14.2013 -79.0994 -1.96034 GPRESSAVG: 4935200 12.4312 -53.0685 12.4764 -52.7718 -47.0747 -79.1968 15.8823 -79.4845 -3.41853 TIMING: 4935200 CPU: 14344, 0.00289694/step Wall: 14344, 0.00289694/step, 0.0521449 hours remaining, 208.500000 MB of memory in use. ENERGY: 4935200 747.7002 2077.6673 1951.0573 113.2500 -206596.7824 17950.3224 0.0000 0.0000 34294.9973 -149461.7880 299.5067 -183756.7853 -149374.1634 298.4798 3.6358 37.2479 557321.9711 -12.6446 -12.6873 PRESSURE: 4935400 150.263 43.1969 52.0253 43.1976 -94.0392 68.5707 52.0247 68.5705 32.8232 GPRESSURE: 4935400 187.25 62.6242 64.2348 70.2513 -71.5445 4.41411 112.105 104.629 68.6009 PRESSAVG: 4935400 35.1108 42.5431 -31.3259 42.5431 12.995 -18.0157 -31.3259 -18.0158 -30.0318 GPRESSAVG: 4935400 34.6629 41.0155 -33.0741 42.0945 12.6402 -17.2788 -33.7709 -18.8153 -28.9304 TIMING: 4935400 CPU: 14344.5, 0.0029045/step Wall: 14344.5, 0.0029045/step, 0.0521196 hours remaining, 208.500000 MB of memory in use. ENERGY: 4935400 752.5859 2086.7314 1958.2221 128.0178 -206519.8405 17936.2649 0.0000 0.0000 34186.3695 -149471.6489 298.5581 -183658.0184 -149372.5428 298.6885 29.6823 61.4356 557990.8103 6.0247 6.1242 PRESSURE: 4935600 32.6631 -18.5569 156.996 -18.5578 -169.447 32.4928 156.996 32.4937 187.881 GPRESSURE: 4935600 96.4235 66.8028 156.573 -168.205 -156.6 126.971 136.522 -108.158 199.995 PRESSAVG: 4935600 -11.9073 29.7698 6.19165 29.7698 -32.0582 85.8653 6.19172 85.8652 47.7644 GPRESSAVG: 4935600 -11.6782 30.6241 6.40002 30.1022 -32.2233 84.6386 8.54697 85.8617 47.9525 TIMING: 4935600 CPU: 14345.1, 0.00291556/step Wall: 14345.1, 0.00291556/step, 0.0521561 hours remaining, 208.500000 MB of memory in use. ENERGY: 4935600 776.8450 2066.2915 1944.0776 115.0101 -206270.3262 17728.9660 0.0000 0.0000 34265.0331 -149374.1029 299.2451 -183639.1360 -149271.2472 298.1278 17.0324 46.6061 556702.3933 1.2663 1.3503 PRESSURE: 4935800 -136.116 172.5 -1.50331 172.5 -109.398 -35.3024 -1.50532 -35.3027 -121.469 GPRESSURE: 4935800 -55.7279 217.628 -8.01487 183.417 -103.822 62.0354 15.3306 -42.0613 -110.824 PRESSAVG: 4935800 91.6181 -1.16632 30.8824 -1.16637 -102.784 39.8199 30.8824 39.8199 2.2246 GPRESSAVG: 4935800 91.7064 1.72406 32.8648 -1.57991 -102.191 38.756 28.4326 41.3511 2.40321 TIMING: 4935800 CPU: 14345.7, 0.00292849/step Wall: 14345.7, 0.00292849/step, 0.0522247 hours remaining, 208.500000 MB of memory in use. ENERGY: 4935800 731.1896 2069.3250 1967.0080 124.9620 -205987.4741 17583.6989 0.0000 0.0000 34225.8103 -149285.4805 298.9025 -183511.2908 -149188.3799 298.4720 -122.3278 -90.1244 559054.3911 -2.9804 -2.6940 PRESSURE: 4936000 4.237 -56.899 279.506 -56.8989 -227.533 109.533 279.504 109.534 -62.7242 GPRESSURE: 4936000 -25.1873 -7.09187 220.022 -216.288 -180.303 50.4702 254.396 149.113 10.2376 PRESSAVG: 4936000 27.7013 -32.614 67.4593 -32.6139 -135.33 7.27007 67.4593 7.27005 66.9443 GPRESSAVG: 4936000 27.7735 -34.6771 67.0993 -33.3769 -135.688 10.1376 69.0654 6.57148 67.7682 TIMING: 4936000 CPU: 14346.3, 0.00293414/step Wall: 14346.3, 0.00293414/step, 0.0521625 hours remaining, 208.500000 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: 4936000 714.7359 2016.5629 1968.4238 106.1758 -206186.6328 17758.7382 0.0000 0.0000 34226.2380 -149395.7582 298.9062 -183621.9961 -149299.5539 298.6612 -95.3399 -65.0843 557894.4429 -13.5613 -13.3821 PRESSURE: 4936200 -190.682 -180.921 -214.3 -180.921 -123.852 25.329 -214.299 25.3289 235.448 GPRESSURE: 4936200 -142.279 -237.778 -167.706 -70.8038 -150.021 46.1829 -168.175 30.9989 305.61 PRESSAVG: 4936200 -54.124 -54.7142 -14.7905 -54.7142 -45.8312 -48.665 -14.7905 -48.6649 97.917 GPRESSAVG: 4936200 -53.9982 -55.455 -13.496 -53.2899 -45.5121 -49.866 -15.1291 -48.9475 97.419 TIMING: 4936200 CPU: 14346.9, 0.00292823/step Wall: 14346.9, 0.00292823/step, 0.0518947 hours remaining, 208.511719 MB of memory in use. ENERGY: 4936200 716.1440 2095.2494 1950.3601 118.3487 -206196.6715 17686.5020 0.0000 0.0000 34360.6581 -149269.4093 300.0802 -183630.0674 -149170.5086 299.2572 -26.3620 4.4367 557660.4593 -0.6794 -0.6971 LDB: ============= START OF LOAD BALANCING ============== 14350.4 LDB: ============== END OF LOAD BALANCING =============== 14350.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14350.4 LDB: ============= START OF LOAD BALANCING ============== 14350.6 LDB: Largest compute 4848 load 0.029969 is 25.4% of average load 0.117898 LDB: Average compute 0.001728 is 1.5% of average load 0.117898 LDB: TIME 14350.6 LOAD: AVG 0.117898 MAX 0.191148 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.809 MB LDB: TIME 14350.7 LOAD: AVG 0.117898 MAX 0.191148 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: TIME 14350.7 LOAD: AVG 0.117898 MAX 0.191148 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14350.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14350.7 PRESSURE: 4936400 -362.528 105.413 233.488 105.413 131.261 -112.35 233.489 -112.35 25.2611 GPRESSURE: 4936400 -314.38 20.5732 205.447 120.304 144.98 -181.918 207.809 -175.873 65.3353 PRESSAVG: 4936400 2.62353 1.9991 -16.5191 1.999 -24.6377 -80.401 -16.5192 -80.401 47.0675 GPRESSAVG: 4936400 2.92892 0.996728 -17.9509 2.7521 -23.8052 -79.9619 -15.8509 -80.0621 45.9672 TIMING: 4936400 CPU: 14347.5, 0.00296567/step Wall: 14347.5, 0.00296567/step, 0.0523935 hours remaining, 209.019531 MB of memory in use. ENERGY: 4936400 725.0646 2071.6025 1947.4715 119.4031 -206171.0824 17769.2002 0.0000 0.0000 34215.7161 -149322.6245 298.8144 -183538.3406 -149230.0423 299.3040 -68.6684 -34.6885 557947.1088 8.3511 8.3636 PRESSURE: 4936600 170.733 -139.744 30.8737 -139.743 97.7485 12.1386 30.8724 12.138 -143.225 GPRESSURE: 4936600 156.587 -101.816 -20.7697 -104.991 130.983 -32.6772 85.5876 -33.2979 -64.4784 PRESSAVG: 4936600 -91.6343 25.5141 -15.6277 25.5142 47.8627 -53.4414 -15.6277 -53.4414 55.465 GPRESSAVG: 4936600 -93.4324 25.5547 -14.4719 28.0415 46.7543 -53.7043 -16.986 -54.8053 57.9824 TIMING: 4936600 CPU: 14348.1, 0.00291593/step Wall: 14348.1, 0.00291593/step, 0.0513528 hours remaining, 209.222656 MB of memory in use. ENERGY: 4936600 721.6886 2113.9656 1955.9125 104.8783 -206449.1728 17952.6104 0.0000 0.0000 34407.7400 -149192.3774 300.4914 -183600.1174 -149107.0922 298.9631 41.7518 74.3639 557512.0398 3.8978 3.7681 PRESSURE: 4936800 -157.085 -7.16372 -144.061 -7.16448 -41.8247 10.7406 -144.061 10.7398 192.897 GPRESSURE: 4936800 -121.466 31.9385 -152.18 -15.2761 -40.4631 -18.9414 -147.702 -53.9489 252.379 PRESSAVG: 4936800 -19.8104 59.4216 -4.16777 59.4216 34.2141 -8.05196 -4.16769 -8.052 -4.2311 GPRESSAVG: 4936800 -19.4776 60.3723 -3.96886 56.3862 35.7796 -8.17198 -4.31262 -7.13067 -6.05582 TIMING: 4936800 CPU: 14348.6, 0.00291619/step Wall: 14348.6, 0.00291619/step, 0.0511953 hours remaining, 209.222656 MB of memory in use. ENERGY: 4936800 754.2211 2052.6677 1935.6673 104.1728 -206348.4873 17977.1052 0.0000 0.0000 34406.9046 -149117.7487 300.4841 -183524.6533 -149009.8483 299.3766 -2.0043 30.1498 558550.9467 3.3909 3.4154 PRESSURE: 4937000 101.438 84.7518 91.7339 84.7526 -128.34 -149.218 91.7344 -149.217 211.205 GPRESSURE: 4937000 97.4904 29.1951 55.9392 38.025 -85.3045 -120.218 70.7623 -142.744 271.91 PRESSAVG: 4937000 11.5774 -7.55722 -27.9796 -7.55715 -34.8955 -48.5516 -27.9796 -48.5516 82.7441 GPRESSAVG: 4937000 13.4024 -8.15453 -29.3806 -6.69183 -35.5622 -48.3338 -25.8622 -47.5311 81.882 TIMING: 4937000 CPU: 14349.2, 0.00292093/step Wall: 14349.2, 0.00292093/step, 0.0511163 hours remaining, 209.222656 MB of memory in use. ENERGY: 4937000 752.3700 2055.7856 1951.6708 109.5498 -206062.0186 17958.1209 0.0000 0.0000 34068.1265 -149166.3949 297.5254 -183234.5214 -149068.6982 298.9503 61.4345 94.6986 557517.1418 19.8086 19.9074 PRESSURE: 4937200 -131.83 -91.1325 61.2024 -91.1317 -47.5572 -166.607 61.2026 -166.608 230.99 GPRESSURE: 4937200 -82.2407 -40.5672 93.4658 -76.759 21.6764 -181.614 90.9907 -195.651 215.76 PRESSAVG: 4937200 -27.3492 -20.486 26.0653 -20.486 -40.6453 -73.6191 26.0653 -73.6191 -6.07056 GPRESSAVG: 4937200 -27.239 -19.9707 25.8626 -21.4894 -41.9021 -73.4255 26.1446 -73.5074 -5.53618 TIMING: 4937200 CPU: 14349.8, 0.00290327/step Wall: 14349.8, 0.00290327/step, 0.050646 hours remaining, 209.222656 MB of memory in use. ENERGY: 4937200 721.1151 2089.0321 1937.3168 108.1775 -205811.9542 17755.8241 0.0000 0.0000 34126.0533 -149074.4352 298.0313 -183200.4885 -148976.1088 298.6997 17.2008 51.7317 558480.7096 -24.6884 -24.8924 PRESSURE: 4937400 -296.056 -69.7881 -51.3779 -69.7877 -357.1 -72.9523 -51.3781 -72.9518 -64.8536 GPRESSURE: 4937400 -209.31 -56.9123 -106.978 -157.392 -344.129 -54.5714 41.5453 -105.198 -66.381 PRESSAVG: 4937400 0.22777 11.1599 -5.37745 11.1599 -3.86407 -35.9836 -5.37747 -35.9836 24.3589 GPRESSAVG: 4937400 -0.255372 9.58169 -3.90399 13.7388 -3.01649 -37.4442 -8.68216 -35.0234 23.5492 TIMING: 4937400 CPU: 14350.4, 0.00293759/step Wall: 14350.4, 0.00293759/step, 0.0510815 hours remaining, 209.222656 MB of memory in use. ENERGY: 4937400 776.8661 2089.3290 1945.7279 105.9797 -205739.7735 17595.2944 0.0000 0.0000 34157.1115 -149069.4648 298.3026 -183226.5763 -148975.9134 299.3461 -239.3366 -206.6068 559239.5098 6.9075 6.7591 PRESSURE: 4937600 254.291 -146.566 -76.7908 -146.567 -13.8808 -31.9722 -76.7895 -31.9719 209.349 GPRESSURE: 4937600 329.798 -125.075 -18.3061 -210.102 -38.9257 14.4124 -62.6 -111.277 248.204 PRESSAVG: 4937600 -17.396 -28.5408 -61.4498 -28.5409 22.8158 -10.9806 -61.4498 -10.9805 14.3666 GPRESSAVG: 4937600 -18.0141 -26.0205 -61.651 -31.7399 22.8198 -8.99526 -61.1734 -14.2992 14.5173 TIMING: 4937600 CPU: 14351, 0.00294638/step Wall: 14351, 0.00294638/step, 0.0510705 hours remaining, 209.222656 MB of memory in use. ENERGY: 4937600 733.9689 2095.5867 1952.9567 101.3505 -206475.9698 18154.8646 0.0000 0.0000 34160.2277 -149277.0148 298.3298 -183437.2424 -149179.9730 299.1528 149.9196 179.6922 558172.2109 6.5955 6.4410 PRESSURE: 4937800 52.1139 -124.804 -86.8285 -124.804 151.323 123.895 -86.8291 123.895 39.9279 GPRESSURE: 4937800 59.1581 -119.758 -109.266 -36.8343 196.486 110.686 -135.992 116.852 71.638 PRESSAVG: 4937800 -76.9026 -32.4751 31.2142 -32.4751 29.4534 -43.1454 31.2142 -43.1454 30.0671 GPRESSAVG: 4937800 -76.939 -33.6138 28.5578 -30.4392 29.1735 -44.1658 33.7123 -40.8053 30.2543 TIMING: 4937800 CPU: 14351.6, 0.00293593/step Wall: 14351.6, 0.00293593/step, 0.0507264 hours remaining, 209.222656 MB of memory in use. ENERGY: 4937800 713.4331 2106.7603 1954.0699 117.6847 -206464.6759 17978.1905 0.0000 0.0000 34356.0580 -149238.4795 300.0400 -183594.5375 -149147.0007 298.9654 81.1214 109.0942 558127.5052 -5.7940 -5.8371 PRESSURE: 4938000 -39.4107 -39.1701 -49.8393 -39.1698 -212.441 90.4707 -49.8388 90.4712 95.5732 GPRESSURE: 4938000 8.1289 -92.3086 -125.665 29.7115 -173.836 50.8604 13.8123 138.651 97.0008 PRESSAVG: 4938000 14.2644 45.8343 -15.0327 45.8343 42.6801 -2.05741 -15.0327 -2.05744 -82.7966 GPRESSAVG: 4938000 14.4653 45.8568 -13.953 46.2863 43.221 -1.26749 -13.6565 -4.22048 -83.2257 TIMING: 4938000 CPU: 14352.2, 0.00289338/step Wall: 14352.2, 0.00289338/step, 0.0498304 hours remaining, 209.515625 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: 4938000 742.8905 2103.4990 1949.5482 114.4749 -206486.4504 18035.9972 0.0000 0.0000 34367.6438 -149172.3968 300.1412 -183540.0407 -149079.0410 299.4768 -52.0927 -22.9020 560061.6171 -8.6174 -8.5131 PRESSURE: 4938200 -275.749 23.442 30.1694 23.4432 -82.485 -133.76 30.1688 -133.759 -249.073 GPRESSURE: 4938200 -249.672 36.9759 8.1333 36.9798 -17.0779 -137.352 116.717 -205.504 -249.363 PRESSAVG: 4938200 63.7221 -21.1282 29.7742 -21.1282 -13.1734 -14.6621 29.7742 -14.6621 -62.0152 GPRESSAVG: 4938200 63.3327 -21.5647 28.8811 -21.0476 -12.7377 -15.2052 26.393 -12.7991 -62.0124 TIMING: 4938200 CPU: 14352.7, 0.00287261/step Wall: 14352.7, 0.00287261/step, 0.0493131 hours remaining, 209.515625 MB of memory in use. ENERGY: 4938200 739.2471 2153.2473 1932.3961 101.2261 -205996.3475 17553.4402 0.0000 0.0000 34211.6445 -149305.1461 298.7788 -183516.7907 -149203.0619 299.0615 -202.4357 -172.0377 558069.3537 -3.8222 -3.8058 PRESSURE: 4938400 136.823 -72.3585 -97.6519 -72.3579 -6.92361 -193.968 -97.652 -193.968 -140.338 GPRESSURE: 4938400 201.807 -139.005 -90.928 47.5884 9.90512 -85.7006 -144.696 -206.603 -115.859 PRESSAVG: 4938400 -26.3324 30.6364 -40.1195 30.6364 -25.1363 -17.6274 -40.1195 -17.6274 12.5343 GPRESSAVG: 4938400 -25.7124 31.5642 -39.3462 31.5446 -25.1378 -17.3491 -38.268 -16.214 12.4647 TIMING: 4938400 CPU: 14353.3, 0.00289308/step Wall: 14353.3, 0.00289308/step, 0.0495038 hours remaining, 209.515625 MB of memory in use. ENERGY: 4938400 706.0455 2067.2000 1942.9582 107.9581 -206375.7723 17841.0892 0.0000 0.0000 34247.1315 -149463.3898 299.0887 -183710.5213 -149367.2423 298.5738 -3.4794 31.9512 557167.0800 -12.9781 -12.7952 PRESSURE: 4938600 115.025 30.2311 -32.7019 30.2321 -22.4585 58.9145 -32.7029 58.9135 -81.1574 GPRESSURE: 4938600 160.453 31.2263 -36.0336 20.4195 -34.2932 101.278 -15.6569 42.2637 -24.4004 PRESSAVG: 4938600 -21.164 -7.84974 -48.3644 -7.84966 -5.25822 9.95694 -48.3644 9.95703 -3.44124 GPRESSAVG: 4938600 -19.7021 -6.42651 -48.2619 -11.1267 -7.22828 10.5594 -48.471 7.57673 -3.00248 TIMING: 4938600 CPU: 14353.9, 0.00291108/step Wall: 14353.9, 0.00291108/step, 0.04965 hours remaining, 209.515625 MB of memory in use. ENERGY: 4938600 749.3381 2106.7875 1960.1859 117.6930 -206197.9793 17756.1885 0.0000 0.0000 34165.4362 -149342.3500 298.3753 -183507.7863 -149252.5961 298.4415 3.8032 33.9197 557161.8743 -9.9545 -9.9776 PRESSURE: 4938800 57.6185 -176.443 18.7325 -176.443 83.7391 122.149 18.7317 122.15 -58.4956 GPRESSURE: 4938800 105.076 -145.705 2.18072 -129.917 104.408 155.548 -4.97878 58.8867 -32.9825 PRESSAVG: 4938800 8.98778 4.60194 -35.3247 4.60196 9.33261 7.58934 -35.3247 7.5893 -1.16619 GPRESSAVG: 4938800 8.33759 2.80752 -35.9515 6.59197 10.1944 6.67619 -35.9081 10.3432 -1.00213 TIMING: 4938800 CPU: 14354.5, 0.00290881/step Wall: 14354.5, 0.00290881/step, 0.0494498 hours remaining, 209.515625 MB of memory in use. ENERGY: 4938800 741.9553 2057.6787 1976.5736 103.3774 -206507.2755 18008.2360 0.0000 0.0000 34447.3786 -149172.0759 300.8375 -183619.4545 -149083.7127 299.3804 27.6207 58.8338 556217.8503 5.7181 5.8433 PRESSURE: 4939000 144.75 66.7138 -114.784 66.715 -194.499 48.7331 -114.785 48.7308 -29.0227 GPRESSURE: 4939000 209.079 138.204 -61.908 -24.3974 -172.037 53.0276 -58.4285 97.148 -19.2393 PRESSAVG: 4939000 25.988 -6.14097 17.07 -6.14092 -7.72614 39.9155 17.07 39.9154 -33.9315 GPRESSAVG: 4939000 25.2809 -6.18132 18.0886 -6.68821 -5.89298 40.4687 18.6744 37.5077 -34.2019 TIMING: 4939000 CPU: 14355.1, 0.00291726/step Wall: 14355.1, 0.00291726/step, 0.0494313 hours remaining, 209.515625 MB of memory in use. ENERGY: 4939000 759.9296 2122.5780 1958.5038 115.7259 -206268.7986 17959.7346 0.0000 0.0000 34131.7209 -149220.6058 298.0808 -183352.3267 -149126.7250 299.4732 -26.2574 5.9342 556612.9922 -5.2232 -4.9380 PRESSURE: 4939200 -225.066 150.104 96.0221 150.104 -100.936 29.6704 96.0243 29.6708 -20.7104 GPRESSURE: 4939200 -211.293 158.896 114.264 25.6242 -34.4318 96.0179 113.686 19.4835 -7.4226 PRESSAVG: 4939200 -39.7656 55.8282 0.44822 55.8283 8.52422 12.9847 0.44814 12.9847 99.7863 GPRESSAVG: 4939200 -39.084 57.1776 1.68104 56.5396 7.06448 14.1498 0.0862517 14.3191 100.458 TIMING: 4939200 CPU: 14355.6, 0.00292746/step Wall: 14355.6, 0.00292746/step, 0.0494415 hours remaining, 209.515625 MB of memory in use. ENERGY: 4939200 735.3356 2085.7934 1923.1689 100.3083 -205673.9218 17486.3715 0.0000 0.0000 34213.4956 -149129.4485 298.7950 -183342.9440 -149024.4733 299.2345 -115.5708 -84.3824 556638.5535 22.8483 22.8130 PRESSURE: 4939400 -439.306 -21.4408 -8.10223 -21.4406 -196.86 129.246 -8.10236 129.245 -106.854 GPRESSURE: 4939400 -381.938 106.976 1.60383 14.9429 -217.301 118.329 78.6719 119.636 -61.2357 PRESSAVG: 4939400 -19.5639 46.0244 -13.2953 46.0245 -25.0191 7.92538 -13.2953 7.92535 50.7744 GPRESSAVG: 4939400 -18.7525 43.0871 -16.2161 47.5472 -24.9643 5.62594 -12.9381 8.65197 49.6276 TIMING: 4939400 CPU: 14356.2, 0.00290769/step Wall: 14356.2, 0.00290769/step, 0.0489462 hours remaining, 209.515625 MB of memory in use. ENERGY: 4939400 773.2260 2059.8265 1937.8209 100.5809 -205717.3291 17641.3177 0.0000 0.0000 34165.9649 -149038.5922 298.3799 -183204.5571 -148943.8271 299.7932 -247.6735 -220.1581 558319.6104 2.0638 1.9702 PRESSURE: 4939600 158.97 -96.6181 -166.57 -96.6174 80.402 24.0895 -166.57 24.0901 185.912 GPRESSURE: 4939600 213.319 -132.555 -89.5528 -87.0004 128.888 59.9922 -182.183 -24.0868 164.623 PRESSAVG: 4939600 -15.6649 -48.709 -1.56081 -48.7089 31.2407 17.4728 -1.56081 17.4727 49.3263 GPRESSAVG: 4939600 -15.3023 -47.6864 1.16117 -50.012 30.4096 16.6376 -2.76448 15.8905 49.4732 TIMING: 4939600 CPU: 14356.8, 0.00293374/step Wall: 14356.8, 0.00293374/step, 0.0492216 hours remaining, 209.718750 MB of memory in use. ENERGY: 4939600 690.3533 2165.2007 1927.2004 101.3190 -205839.5995 17651.4205 0.0000 0.0000 34245.1533 -149058.9522 299.0714 -183304.1055 -148959.7661 299.4164 141.7613 168.9432 557174.1287 21.6340 21.5268 PRESSURE: 4939800 115.992 -8.13377 -134.139 -8.13432 -66.8847 128.903 -134.139 128.903 17.9509 GPRESSURE: 4939800 186.474 10.2173 -90.4657 -39.9186 -78.2343 142.596 -114.454 110.658 39.306 PRESSAVG: 4939800 -33.8777 -51.7025 -58.9318 -51.7024 27.2296 32.2597 -58.9319 32.2597 -33.2184 GPRESSAVG: 4939800 -34.7267 -51.3662 -59.5133 -52.3301 28.3081 32.8488 -59.1633 33.2106 -33.3834 TIMING: 4939800 CPU: 14357.4, 0.00293353/step Wall: 14357.4, 0.00293353/step, 0.0490552 hours remaining, 209.718750 MB of memory in use. ENERGY: 4939800 709.4169 2121.3549 1962.7253 120.3572 -206257.2325 17821.6734 0.0000 0.0000 34277.2161 -149244.4887 299.3515 -183521.7048 -149150.7905 299.0882 22.3528 49.1818 557634.0814 -13.2888 -13.2673 PRESSURE: 4940000 56.2432 154.967 -31.1575 154.965 -182.784 -120.344 -31.1572 -120.345 86.4007 GPRESSURE: 4940000 20.6746 152.873 -13.0945 186.195 -135.987 -123.873 -28.0967 -80.2863 171.657 PRESSAVG: 4940000 11.1124 52.4905 -65.789 52.4906 62.9503 -0.444441 -65.789 -0.444439 -53.967 GPRESSAVG: 4940000 11.0537 54.395 -65.0551 51.9537 63.636 1.61533 -65.1317 -1.17949 -54.2084 TIMING: 4940000 CPU: 14358, 0.00288667/step Wall: 14358, 0.00288667/step, 0.0481111 hours remaining, 209.718750 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: 4940000 740.2874 2146.8459 1972.6983 107.3535 -206078.1464 17760.0848 0.0000 0.0000 34229.9495 -149120.9269 298.9387 -183350.8764 -149028.5660 299.8561 -13.3799 18.7813 558333.8210 6.6986 6.8271 PRESSURE: 4940200 -106.369 -116.814 49.5191 -116.814 71.9543 65.8609 49.5175 65.8604 55.3432 GPRESSURE: 4940200 -70.6762 -161.145 68.0098 -126.693 74.2489 123.371 5.51716 1.0158 101.753 PRESSAVG: 4940200 -53.1194 34.3985 13.0346 34.3986 70.8035 -36.4865 13.0347 -36.4864 24.3591 GPRESSAVG: 4940200 -52.4557 32.9501 15.237 35.6622 69.9484 -37.8694 13.1083 -35.5896 24.4241 TIMING: 4940200 CPU: 14358.6, 0.00289668/step Wall: 14358.6, 0.00289668/step, 0.048117 hours remaining, 209.718750 MB of memory in use. ENERGY: 4940200 714.5899 2136.3240 1953.0120 103.3317 -206418.4825 17853.2443 0.0000 0.0000 34572.1777 -149085.8029 301.9274 -183657.9806 -148992.0823 300.4879 6.9762 35.1086 557610.3970 14.0144 13.9723 LDB: ============= START OF LOAD BALANCING ============== 14362 LDB: ============== END OF LOAD BALANCING =============== 14362 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14362 LDB: ============= START OF LOAD BALANCING ============== 14362.3 LDB: Largest compute 4848 load 0.030018 is 25.5% of average load 0.117910 LDB: Average compute 0.001728 is 1.5% of average load 0.117910 LDB: TIME 14362.3 LOAD: AVG 0.11791 MAX 0.191071 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.453 MB LDB: TIME 14362.3 LOAD: AVG 0.11791 MAX 0.191071 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: TIME 14362.3 LOAD: AVG 0.11791 MAX 0.191071 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14362.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14362.3 PRESSURE: 4940400 177.346 73.4368 -128.879 73.4368 -26.2521 27.8285 -128.879 27.8287 -97.3449 GPRESSURE: 4940400 139.093 155.562 -133.278 55.2298 17.8709 48.773 -29.3398 36.6095 -11.6875 PRESSAVG: 4940400 -13.6001 22.4895 2.25718 22.4895 -36.022 18.4376 2.25723 18.4375 47.368 GPRESSAVG: 4940400 -14.8245 22.6309 0.718648 21.3139 -35.0892 16.8441 1.34524 19.0819 48.2254 TIMING: 4940400 CPU: 14359.1, 0.00295262/step Wall: 14359.1, 0.00295262/step, 0.0488823 hours remaining, 207.031250 MB of memory in use. ENERGY: 4940400 747.2952 2112.2355 1948.4218 109.8692 -206570.3736 18030.8927 0.0000 0.0000 34474.5014 -149147.1577 301.0744 -183621.6591 -149051.1005 299.3198 17.9163 48.4253 555865.4464 -0.7514 -0.5628 PRESSURE: 4940600 -10.6225 5.09815 27.0464 5.09918 160.594 149.048 27.0462 149.048 24.9544 GPRESSURE: 4940600 -18.0831 76.9232 -24.2266 11.2593 189.845 138.107 50.2201 169.401 110.061 PRESSAVG: 4940600 0.789291 37.237 60.4233 37.237 0.378988 48.5204 60.4233 48.5205 17.5349 GPRESSAVG: 4940600 0.534691 37.5834 58.4978 37.4642 1.0476 50.2207 61.1691 47.7651 17.4036 TIMING: 4940600 CPU: 14359.7, 0.0028889/step Wall: 14359.7, 0.0028889/step, 0.0476669 hours remaining, 207.234375 MB of memory in use. ENERGY: 4940600 708.7596 2118.2465 1971.3088 114.0227 -206256.8076 17726.7355 0.0000 0.0000 34503.8399 -149113.8947 301.3306 -183617.7346 -149013.4361 300.0675 58.3086 93.9409 556830.6884 6.2344 6.3286 PRESSURE: 4940800 -233.136 -123.828 59.7571 -123.828 166.271 -91.8211 59.757 -91.8188 -4.42705 GPRESSURE: 4940800 -144.394 -190.448 14.8592 -116.874 173.276 46.0011 123.311 -152.656 -0.187349 PRESSAVG: 4940800 -55.6791 8.04715 5.16116 8.04721 -22.1972 -40.9096 5.16109 -40.9097 54.1312 GPRESSAVG: 4940800 -54.5124 7.20441 4.8149 8.43369 -23.6356 -40.3748 5.38921 -42.3805 53.94 TIMING: 4940800 CPU: 14360.3, 0.00289723/step Wall: 14360.3, 0.00289723/step, 0.0476433 hours remaining, 207.234375 MB of memory in use. ENERGY: 4940800 770.6040 2196.1108 1961.9054 109.9829 -206001.4204 17799.7483 0.0000 0.0000 34205.4038 -148957.6652 298.7243 -183163.0690 -148867.8634 299.6069 -23.7640 9.5648 556944.7623 -7.9151 -8.0693 PRESSURE: 4941000 77.9019 12.6681 129.247 12.6667 -24.5092 -123.866 129.247 -123.866 8.82249 GPRESSURE: 4941000 108.473 -30.1312 188.6 51.7649 6.27406 -51.1649 174.672 -125.58 56.0905 PRESSAVG: 4941000 31.7702 -11.1702 52.2909 -11.1704 -56.4888 -8.18265 52.2909 -8.18274 46.2379 GPRESSAVG: 4941000 32.3018 -11.2273 53.0103 -10.4179 -56.6738 -8.49435 53.3756 -7.30193 46.2636 TIMING: 4941000 CPU: 14360.9, 0.00290065/step Wall: 14360.9, 0.00290065/step, 0.0475384 hours remaining, 207.234375 MB of memory in use. ENERGY: 4941000 737.6978 2172.7814 1935.0173 116.3507 -206467.9705 18024.7773 0.0000 0.0000 34242.6773 -149238.6688 299.0498 -183481.3461 -149136.0599 299.5482 20.7384 56.9458 558532.3509 7.1731 7.2972 PRESSURE: 4941200 -90.1926 -97.593 -17.8688 -97.5918 -8.07275 140.587 -17.8701 140.587 32.7804 GPRESSURE: 4941200 -49.1334 -119.546 -62.356 -57.2681 7.57835 180.214 10.0841 73.7977 70.9165 PRESSAVG: 4941200 -10.7612 -37.3898 20.6654 -37.3898 -1.57733 -29.5921 20.6654 -29.5921 -27.6 GPRESSAVG: 4941200 -11.6484 -38.7368 21.3136 -36.2554 -0.990191 -32.3704 20.0989 -29.8199 -27.3144 TIMING: 4941200 CPU: 14361.5, 0.00290236/step Wall: 14361.5, 0.00290236/step, 0.0474053 hours remaining, 207.234375 MB of memory in use. ENERGY: 4941200 762.0595 2075.6940 1960.5543 122.2303 -206520.2967 18190.8386 0.0000 0.0000 34117.8795 -149291.0405 297.9599 -183408.9200 -149194.7013 298.7187 -21.8283 9.7872 559247.0498 -13.3129 -13.3177 PRESSURE: 4941400 45.9859 232.82 2.72259 232.819 -39.9875 6.16535 2.72175 6.16407 10.0828 GPRESSURE: 4941400 62.5184 237.403 -79.7703 115.919 -9.99578 -10.8145 5.66649 -105.542 69.3865 PRESSAVG: 4941400 -20.8128 8.12977 38.6754 8.12978 -25.4937 1.89926 38.6755 1.89931 44.3069 GPRESSAVG: 4941400 -20.2425 9.1083 38.0945 6.76932 -25.7569 4.45572 38.2256 2.63109 44.0918 TIMING: 4941400 CPU: 14362, 0.00293549/step Wall: 14362, 0.00293549/step, 0.0477832 hours remaining, 207.234375 MB of memory in use. ENERGY: 4941400 706.1067 2079.2108 1952.8350 117.8646 -206103.9685 17770.3113 0.0000 0.0000 34072.0180 -149405.6221 297.5594 -183477.6402 -149305.7894 298.8484 5.3604 40.6364 558022.3785 -0.6665 -0.6358 PRESSURE: 4941600 -40.378 41.741 -10.0962 41.7411 132.11 57.3552 -10.0962 57.3547 92.0988 GPRESSURE: 4941600 -16.4275 31.8355 -45.8827 124.31 215.463 2.92711 -81.177 158.248 83.4878 PRESSAVG: 4941600 34.2637 51.4025 -1.12988 51.4025 -78.4649 7.52156 -1.12994 7.52154 20.2514 GPRESSAVG: 4941600 34.1016 51.6439 -0.508705 50.8658 -76.9727 7.82615 -2.67627 7.58666 18.6744 TIMING: 4941600 CPU: 14362.6, 0.00292172/step Wall: 14362.6, 0.00292172/step, 0.0473968 hours remaining, 207.234375 MB of memory in use. ENERGY: 4941600 749.0816 2103.8289 1901.5097 122.8774 -206648.6821 18031.8103 0.0000 0.0000 34341.0955 -149398.4786 299.9093 -183739.5741 -149300.4413 298.6357 61.2770 94.1743 557604.7211 -7.9832 -8.0656 PRESSURE: 4941800 -94.4265 66.6808 45.5688 66.6812 -74.5905 78.4039 45.5679 78.4051 -39.6254 GPRESSURE: 4941800 -18.2422 46.2215 78.3526 19.3057 -62.6771 143.381 66.4866 134.027 -21.3679 PRESSAVG: 4941800 -18.6628 32.759 -35.8121 32.7589 36.1587 70.1289 -35.8122 70.1289 26.9844 GPRESSAVG: 4941800 -18.5948 33.5886 -35.1844 32.6782 35.0525 71.3936 -35.4026 69.0794 28.3631 TIMING: 4941800 CPU: 14363.2, 0.00290488/step Wall: 14363.2, 0.00290488/step, 0.0469622 hours remaining, 207.234375 MB of memory in use. ENERGY: 4941800 730.6335 2172.9373 1929.9030 101.3739 -205913.0165 17529.1445 0.0000 0.0000 34151.2613 -149297.7630 298.2515 -183449.0242 -149202.5716 298.8714 -69.5474 -34.0957 556874.5255 14.8268 14.9403 PRESSURE: 4942000 63.3738 143.095 -122.648 143.095 68.2634 -42.4633 -122.648 -42.4655 263.124 GPRESSURE: 4942000 27.5496 82.1439 -100.085 133.329 124.322 5.06646 -16.5438 -16.1456 324.195 PRESSAVG: 4942000 -14.5954 1.14178 -44.1361 1.14184 33.0319 32.8682 -44.1362 32.8682 -9.19561 GPRESSAVG: 4942000 -15.4814 0.983873 -46.6535 2.37854 33.0745 33.2326 -41.5928 31.8918 -8.52134 TIMING: 4942000 CPU: 14363.8, 0.00293769/step Wall: 14363.8, 0.00293769/step, 0.0473295 hours remaining, 207.234375 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: 4942000 750.2253 2078.9996 1944.4483 115.7044 -206492.2897 18154.8157 0.0000 0.0000 34098.9378 -149349.1586 297.7945 -183448.0965 -149262.1780 297.8099 131.5870 158.6888 556827.9439 3.0803 3.0239 PRESSURE: 4942200 91.3268 -102.745 -98.8883 -102.745 -30.6897 53.0632 -98.8872 53.0646 -22.029 GPRESSURE: 4942200 165.931 -102.804 -95.9923 -143.007 5.87777 26.2011 -32.2281 109.477 -43.0269 PRESSAVG: 4942200 13.008 28.4586 25.5587 28.4585 -10.88 -33.3153 25.5588 -33.3153 -13.342 GPRESSAVG: 4942200 13.0586 27.3664 28.3302 28.8793 -9.98559 -35.6072 23.4354 -31.4287 -14.1163 TIMING: 4942200 CPU: 14364.4, 0.00291784/step Wall: 14364.4, 0.00291784/step, 0.0468476 hours remaining, 207.234375 MB of memory in use. ENERGY: 4942200 740.6443 2163.0511 1966.3075 110.0147 -206728.9286 17881.9671 0.0000 0.0000 34250.2377 -149616.7062 299.1158 -183866.9439 -149523.4959 298.0408 12.8694 42.9274 556148.9801 -3.7380 -3.6811 PRESSURE: 4942400 -132.878 55.8761 47.0787 55.8749 25.5864 -13.3797 47.0798 -13.3801 -35.7022 GPRESSURE: 4942400 -79.5544 85.8656 52.6463 67.0025 55.7978 57.2111 57.8 -38.2009 -34.0636 PRESSAVG: 4942400 -67.8482 14.3259 -12.4251 14.326 43.0288 9.46226 -12.4251 9.46217 29.2334 GPRESSAVG: 4942400 -66.7665 15.3623 -13.105 11.9963 41.8217 9.05612 -11.0808 10.2541 29.2058 TIMING: 4942400 CPU: 14365, 0.00293439/step Wall: 14365, 0.00293439/step, 0.0469502 hours remaining, 207.234375 MB of memory in use. ENERGY: 4942400 761.2449 2125.7019 1948.9184 107.4537 -206372.6478 17809.8117 0.0000 0.0000 34131.9535 -149487.5635 298.0828 -183619.5171 -149386.5255 298.0758 -47.6644 -19.2734 557073.7699 1.4713 1.4203 PRESSURE: 4942600 -213.561 -42.429 158.183 -42.4302 -108.671 -52.6502 158.183 -52.6489 -12.7075 GPRESSURE: 4942600 -168.903 -79.8182 157.285 47.4301 -69.287 -1.51878 118.982 -54.3499 13.1021 PRESSAVG: 4942600 -29.0974 14.8091 51.0498 14.8091 -10.0701 -27.7325 51.0498 -27.7325 29.2021 GPRESSAVG: 4942600 -28.3171 14.2604 51.6389 15.2971 -9.83685 -26.2051 49.3047 -28.3011 28.8547 TIMING: 4942600 CPU: 14365.6, 0.00292405/step Wall: 14365.6, 0.00292405/step, 0.0466223 hours remaining, 207.234375 MB of memory in use. ENERGY: 4942600 718.6412 2096.0609 1944.8178 115.7473 -205918.1700 17570.1720 0.0000 0.0000 34154.1780 -149318.5527 298.2769 -183472.7307 -149220.4543 298.9341 -111.6465 -75.0294 556507.0331 -3.3218 -3.0998 PRESSURE: 4942800 -81.7354 -34.4151 -117.207 -34.4143 52.458 33.7456 -117.209 33.7456 106.725 GPRESSURE: 4942800 -5.75575 26.4233 -99.6357 -128.055 64.8748 131.575 -161.951 -69.2687 126.069 PRESSAVG: 4942800 -0.306893 -56.1183 57.9396 -56.1184 -4.85203 12.5054 57.9397 12.5056 41.7833 GPRESSAVG: 4942800 -1.24 -54.9239 57.2925 -55.4275 -4.96171 11.7531 59.0873 14.0914 43.2043 TIMING: 4942800 CPU: 14366.1, 0.0029157/step Wall: 14366.1, 0.0029157/step, 0.0463272 hours remaining, 207.234375 MB of memory in use. ENERGY: 4942800 728.6958 2088.2053 1961.1614 108.5174 -206252.3405 17755.0868 0.0000 0.0000 34302.0749 -149308.5989 299.5686 -183610.6738 -149215.8107 298.6294 25.8157 61.7294 555621.0492 12.2081 12.3342 PRESSURE: 4943000 -129.821 -260.823 60.2674 -260.824 22.99 -129.817 60.265 -129.817 -163.05 GPRESSURE: 4943000 -114.303 -236.451 69.1049 -178.777 27.8374 -136.416 73.3021 -107.414 -93.2693 PRESSAVG: 4943000 46.3594 -2.64457 4.33529 -2.64448 -34.5646 18.6138 4.33531 18.6139 -7.83226 GPRESSAVG: 4943000 46.272 -3.59329 4.22852 -3.39039 -33.9571 17.5697 3.53739 16.8256 -8.41301 TIMING: 4943000 CPU: 14366.7, 0.00288484/step Wall: 14366.7, 0.00288484/step, 0.0456766 hours remaining, 207.234375 MB of memory in use. ENERGY: 4943000 743.3114 2073.5810 1970.9706 117.1333 -206119.6656 17718.6083 0.0000 0.0000 34168.6674 -149327.3935 298.4035 -183496.0609 -149226.0916 298.8472 -89.9605 -59.9118 556319.6481 1.3209 1.3006 PRESSURE: 4943200 -151.853 -137.17 -39.5162 -137.17 -23.8877 -91.1298 -39.5159 -91.1289 -2.93423 GPRESSURE: 4943200 -158.033 -64.4175 -142.684 -148.671 -9.94195 -71.3577 17.4905 -90.1008 93.6936 PRESSAVG: 4943200 74.6268 -61.3501 -34.3389 -61.3501 13.3946 -0.882668 -34.3389 -0.882662 -94.8854 GPRESSAVG: 4943200 75.0389 -61.2608 -35.9013 -60.0859 12.6803 0.173379 -34.4754 -2.06526 -94.4718 TIMING: 4943200 CPU: 14367.3, 0.00289217/step Wall: 14367.3, 0.00289217/step, 0.045632 hours remaining, 207.234375 MB of memory in use. ENERGY: 4943200 754.8616 2081.7064 1957.5540 114.1240 -206501.3499 17852.4769 0.0000 0.0000 34481.9538 -149258.6731 301.1395 -183740.6269 -149153.5695 299.0364 -59.5583 -24.7605 557707.8679 -2.2880 -2.2509 PRESSURE: 4943400 -155.082 -167.318 -79.4998 -167.318 5.14004 -4.54404 -79.4994 -4.54411 130.685 GPRESSURE: 4943400 -141.386 -129.588 -38.196 -225.702 82.6737 83.2154 -57.3188 -26.4419 128.845 PRESSAVG: 4943400 44.0982 -18.6807 -8.5069 -18.6806 -5.24774 40.2209 -8.50687 40.2208 -23.8549 GPRESSAVG: 4943400 44.5244 -19.9177 -7.31775 -18.4548 -4.89829 40.5136 -7.47511 40.408 -24.707 TIMING: 4943400 CPU: 14367.9, 0.00291786/step Wall: 14367.9, 0.00291786/step, 0.0458753 hours remaining, 207.359375 MB of memory in use. ENERGY: 4943400 773.2067 2063.8172 1957.2147 108.5321 -206329.4033 17802.8769 0.0000 0.0000 34267.0003 -149356.7554 299.2622 -183623.7557 -149261.1288 298.9814 -6.4190 23.3776 556538.7233 4.9985 4.9730 PRESSURE: 4943600 -1.09319 80.3338 -124.074 80.3342 -3.38412 -68.1945 -124.075 -68.1934 -331.696 GPRESSURE: 4943600 16.3437 45.2516 -97.0601 74.1959 14.6135 -56.8211 -120.445 -12.484 -277.376 PRESSAVG: 4943600 2.02549 6.18895 57.2556 6.18898 7.05375 21.9562 57.2557 21.9562 -58.8719 GPRESSAVG: 4943600 1.81869 6.94155 56.1617 5.52732 6.97134 21.4697 58.904 22.5756 -58.7354 TIMING: 4943600 CPU: 14368.5, 0.00291437/step Wall: 14368.5, 0.00291437/step, 0.0456585 hours remaining, 207.359375 MB of memory in use. ENERGY: 4943600 781.7740 2120.8488 1952.1029 104.4258 -206484.8608 17931.9314 0.0000 0.0000 34066.5904 -149527.1875 297.5120 -183593.7779 -149433.4440 298.9281 -112.0577 -82.1395 559195.3951 -16.5976 -16.6484 PRESSURE: 4943800 119.405 -172.351 -13.7368 -172.353 26.8447 216.1 -13.7377 216.101 -142.502 GPRESSURE: 4943800 141.436 -146.159 -52.8058 -183.887 62.1477 265.042 0.536955 228.49 -105.972 PRESSAVG: 4943800 16.361 -66.0361 -2.32782 -66.0361 39.4007 9.9846 -2.32782 9.98463 -74.0318 GPRESSAVG: 4943800 16.9972 -65.5502 -1.07024 -66.9286 39.127 10.0843 -5.21291 10.8594 -74.2507 TIMING: 4943800 CPU: 14369, 0.00290384/step Wall: 14369, 0.00290384/step, 0.0453322 hours remaining, 207.359375 MB of memory in use. ENERGY: 4943800 734.4103 2123.9950 1959.5769 108.6027 -206551.8801 18001.0533 0.0000 0.0000 34164.5955 -149459.6465 298.3679 -183624.2420 -149361.5754 298.5620 1.2494 32.5371 558054.9811 -6.0900 -6.0421 PRESSURE: 4944000 166.704 -53.7979 -119.612 -53.7978 -102.245 48.7694 -119.611 48.7687 26.4807 GPRESSURE: 4944000 221.491 -42.1245 -198.904 22.0758 -58.8129 43.8297 -52.2668 64.0523 23.6278 PRESSAVG: 4944000 102.474 -82.8279 44.96 -82.8279 -13.783 23.5411 44.9601 23.541 -41.6679 GPRESSAVG: 4944000 102.535 -81.5453 44.696 -82.7366 -14.7957 22.8848 45.925 22.6854 -41.0025 TIMING: 4944000 CPU: 14369.6, 0.00289271/step Wall: 14369.6, 0.00289271/step, 0.0449976 hours remaining, 207.359375 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: 4944000 757.7416 2059.9906 1949.6638 121.4099 -206452.8192 18010.1784 0.0000 0.0000 34161.5023 -149392.3326 298.3409 -183553.8348 -149299.8391 299.2141 30.3130 62.1019 556978.4977 15.6743 15.5791 PRESSURE: 4944200 76.3254 40.3244 -53.6316 40.3236 140.566 -77.6552 -53.6322 -77.6547 120.101 GPRESSURE: 4944200 118.791 4.72635 -63.3604 107.695 128.07 -64.044 -40.3186 -84.1765 181.628 PRESSAVG: 4944200 18.7098 22.5372 -6.16349 22.5372 9.1134 83.573 -6.16349 83.5731 -34.988 GPRESSAVG: 4944200 17.9916 23.2209 -4.07623 21.1492 9.55065 84.7336 -7.71915 83.2169 -35.2567 TIMING: 4944200 CPU: 14370.2, 0.00291229/step Wall: 14370.2, 0.00291229/step, 0.0451405 hours remaining, 207.359375 MB of memory in use. ENERGY: 4944200 782.5186 2037.7608 1965.9278 120.5018 -206835.4902 18089.3656 0.0000 0.0000 34257.6787 -149581.7368 299.1808 -183839.4155 -149481.6293 299.5819 112.3307 142.8297 557047.6894 -2.3883 -2.5715 LDB: ============= START OF LOAD BALANCING ============== 14373.7 LDB: ============== END OF LOAD BALANCING =============== 14373.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14373.7 LDB: ============= START OF LOAD BALANCING ============== 14374 LDB: Largest compute 4848 load 0.028158 is 23.9% of average load 0.117865 LDB: Average compute 0.001734 is 1.5% of average load 0.117865 LDB: TIME 14374 LOAD: AVG 0.117865 MAX 0.193042 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.289 MB LDB: TIME 14374 LOAD: AVG 0.117865 MAX 0.193042 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: TIME 14374 LOAD: AVG 0.117865 MAX 0.193042 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.492 MB LDB: ============== END OF LOAD BALANCING =============== 14374 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14374 PRESSURE: 4944400 157.006 -129.474 48.154 -129.472 118.39 119.413 48.1535 119.413 336.309 GPRESSURE: 4944400 222.698 -22.2434 36.0821 -151.332 158.336 161.399 53.9811 101.722 326.773 PRESSAVG: 4944400 -15.71 -26.0514 -6.37633 -26.0515 -45.5257 -25.6121 -6.37634 -25.6121 36.7899 GPRESSAVG: 4944400 -16.9237 -26.8627 -8.61262 -27.166 -45.5628 -26.6283 -6.30404 -24.2699 37.5236 TIMING: 4944400 CPU: 14370.8, 0.00296422/step Wall: 14370.8, 0.00296422/step, 0.0457807 hours remaining, 207.933594 MB of memory in use. ENERGY: 4944400 739.1859 2094.5588 1943.3405 103.0547 -207045.2604 18266.2735 0.0000 0.0000 34281.5954 -149617.2516 299.3897 -183898.8469 -149519.8289 299.1272 203.9019 235.9354 556574.4205 -8.1486 -8.3210 PRESSURE: 4944600 524.472 -17.5882 72.8078 -17.5888 219.554 -135.237 72.8071 -135.238 167.848 GPRESSURE: 4944600 534.394 -23.6651 65.0351 -72.105 283.061 -178.471 84.9658 -8.23761 195.726 PRESSAVG: 4944600 -14.8457 19.1928 -3.3923 19.1928 -16.2798 -9.47592 -3.39226 -9.476 51.6129 GPRESSAVG: 4944600 -14.025 18.7794 -3.00205 20.0399 -16.1721 -10.428 -1.99226 -9.7239 50.676 TIMING: 4944600 CPU: 14371.4, 0.00289329/step Wall: 14371.4, 0.00289329/step, 0.0445245 hours remaining, 207.933594 MB of memory in use. ENERGY: 4944600 737.9614 2123.3162 1935.2087 109.8679 -206925.2781 18318.7296 0.0000 0.0000 34014.3926 -149685.8016 297.0562 -183700.1942 -149591.8628 298.3828 303.9583 337.7269 556160.2936 6.8291 6.8263 PRESSURE: 4944800 203.069 144.688 -115.296 144.688 115.695 -66.1835 -115.297 -66.1822 -36.5464 GPRESSURE: 4944800 298.636 86.5848 -36.9181 201.061 120.488 -89.8849 -108.082 -30.2358 -36.3959 PRESSAVG: 4944800 -15.5047 -42.1538 -20.217 -42.1539 -25.6914 -47.0075 -20.2171 -47.0074 21.9751 GPRESSAVG: 4944800 -16.3068 -43.4728 -20.0169 -41.4319 -26.0522 -45.589 -21.3764 -45.8054 22.722 TIMING: 4944800 CPU: 14372, 0.002902/step Wall: 14372, 0.002902/step, 0.0444974 hours remaining, 207.933594 MB of memory in use. ENERGY: 4944800 753.7827 2102.7431 1937.9547 104.1467 -206626.3399 17940.1674 0.0000 0.0000 34231.6354 -149555.9099 298.9534 -183787.5453 -149457.3032 298.0108 94.0725 127.5761 558592.7208 -6.4070 -6.5457 PRESSURE: 4945000 -218.901 -58.9206 17.1823 -58.9209 -157.212 141.206 17.1824 141.205 -154.031 GPRESSURE: 4945000 -173.635 -42.823 20.4722 -11.7676 -159.259 164.7 -0.139231 50.3686 -107.63 PRESSAVG: 4945000 -13.6842 20.6014 -14.1551 20.6014 -6.48224 9.25449 -14.1551 9.25446 15.5943 GPRESSAVG: 4945000 -13.1755 20.2757 -15.8318 22.54 -7.38802 10.4292 -15.3051 5.50841 15.8405 TIMING: 4945000 CPU: 14372.5, 0.00289783/step Wall: 14372.5, 0.00289783/step, 0.0442725 hours remaining, 207.933594 MB of memory in use. ENERGY: 4945000 721.2369 2118.3784 1937.2511 118.2225 -206568.9994 17859.2529 0.0000 0.0000 34261.5805 -149553.0772 299.2149 -183814.6577 -149460.9605 298.0409 -176.7147 -146.8415 559657.8944 -1.5240 -1.5743 PRESSURE: 4945200 133.938 -2.89158 -112.411 -2.89216 -381.64 142.313 -112.412 142.312 10.094 GPRESSURE: 4945200 158.593 -29.7518 -84.231 -46.7715 -386.404 125.611 -76.9522 191.064 94.9454 PRESSAVG: 4945200 34.6181 -6.32867 -20.0418 -6.32859 -25.8769 -33.0007 -20.0418 -33.0007 4.88856 GPRESSAVG: 4945200 35.631 -5.13045 -17.2011 -7.5302 -25.9358 -35.3466 -19.7841 -29.8591 4.12102 TIMING: 4945200 CPU: 14373.1, 0.00290757/step Wall: 14373.1, 0.00290757/step, 0.0442597 hours remaining, 207.933594 MB of memory in use. ENERGY: 4945200 766.1775 2154.3868 1952.2338 109.6987 -206727.2147 17977.1827 0.0000 0.0000 34155.9294 -149611.6058 298.2922 -183767.5352 -149522.1919 298.1011 -79.2024 -44.2885 558300.8977 4.5433 4.6054 PRESSURE: 4945400 5.31424 -103.035 -48.3642 -103.036 -58.3048 136.842 -48.3623 136.842 87.1284 GPRESSURE: 4945400 93.2347 -78.8381 -90.549 -90.0151 -46.6948 160.373 -25.0978 136.071 95.0856 PRESSAVG: 4945400 14.2483 -15.848 -23.1427 -15.848 21.7369 -37.6893 -23.1427 -37.6893 -41.4399 GPRESSAVG: 4945400 13.3611 -15.5339 -24.7702 -16.3887 21.4675 -36.2939 -20.8213 -38.946 -40.6326 TIMING: 4945400 CPU: 14373.7, 0.00289186/step Wall: 14373.7, 0.00289186/step, 0.0438599 hours remaining, 207.933594 MB of memory in use. ENERGY: 4945400 767.9147 2079.3767 1957.7985 122.0391 -206706.4726 17989.7152 0.0000 0.0000 34182.5504 -149607.0779 298.5247 -183789.6283 -149515.0081 298.2399 11.3793 47.2085 558335.8108 -1.8182 -1.9347 PRESSURE: 4945600 -15.6978 -45.8128 -83.2828 -45.8134 -417.931 -80.3554 -83.2822 -80.3551 -289.569 GPRESSURE: 4945600 -13.9107 22.5716 -59.977 -111.771 -350.104 -56.2885 -27.0032 -90.8041 -258.947 PRESSAVG: 4945600 3.02579 4.80429 -13.0433 4.80435 7.54853 -14.3319 -13.0432 -14.3319 -13.2209 GPRESSAVG: 4945600 2.43646 3.46369 -12.7367 4.57407 8.88858 -15.315 -12.708 -14.2309 -13.5807 TIMING: 4945600 CPU: 14374.3, 0.00289437/step Wall: 14374.3, 0.00289437/step, 0.0437371 hours remaining, 207.933594 MB of memory in use. ENERGY: 4945600 744.4226 2058.0696 1946.3530 113.1244 -206375.9320 17782.7020 0.0000 0.0000 34258.9493 -149472.3110 299.1919 -183731.2603 -149378.6234 298.3687 -241.0661 -207.6541 558907.8266 -0.8822 -0.7519 PRESSURE: 4945800 141.608 72.4149 -257.845 72.4149 189.16 22.0283 -257.844 22.0284 276.703 GPRESSURE: 4945800 113.476 83.0722 -259.563 -45.5446 227.381 77.7768 -215.473 44.9263 358.225 PRESSAVG: 4945800 13.6201 -36.5725 -30.4725 -36.5724 46.2564 -3.23825 -30.4726 -3.23821 -26.6088 GPRESSAVG: 4945800 13.0194 -34.9346 -29.1266 -38.0977 46.4265 -1.4475 -33.8333 -2.71934 -26.0538 TIMING: 4945800 CPU: 14374.9, 0.00289955/step Wall: 14374.9, 0.00289955/step, 0.0436544 hours remaining, 207.933594 MB of memory in use. ENERGY: 4945800 679.1008 2150.8249 1941.5693 111.8477 -207065.0563 18269.0483 0.0000 0.0000 34577.6453 -149335.0202 301.9752 -183912.6655 -149239.2023 298.8837 202.4905 233.0270 557459.1463 11.0892 11.1307 PRESSURE: 4946000 -234.065 -106.739 209.429 -106.738 64.9776 -122.564 209.428 -122.565 297.984 GPRESSURE: 4946000 -161.128 -60.0961 168.904 -103.996 115.967 -175.54 290.479 -153.152 285.022 PRESSAVG: 4946000 -45.4532 -11.999 -14.0062 -11.999 -7.01799 -9.61177 -14.0062 -9.61172 38.1195 GPRESSAVG: 4946000 -45.7031 -11.5091 -15.5217 -9.64532 -6.44759 -8.41395 -11.7193 -9.65562 38.2313 TIMING: 4946000 CPU: 14375.4, 0.00287804/step Wall: 14375.4, 0.00287804/step, 0.0431706 hours remaining, 207.933594 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: 4946000 757.9285 2061.7613 1956.4904 129.5449 -206469.9628 17968.6949 0.0000 0.0000 34290.1915 -149305.3514 299.4648 -183595.5430 -149203.2681 299.4914 42.9654 79.9540 556597.2301 -4.7839 -4.6398 PRESSURE: 4946200 -166.601 105.535 18.9559 105.534 118.601 -101.232 18.957 -101.232 210.298 GPRESSURE: 4946200 -104.722 82.3086 34.9002 98.1884 176.439 -66.9761 9.98214 -98.2706 203.229 PRESSAVG: 4946200 -28.4847 -13.6281 61.4253 -13.628 21.1994 -9.25165 61.4253 -9.25178 4.40903 GPRESSAVG: 4946200 -27.8008 -13.2273 60.8319 -15.1279 20.0041 -10.1545 60.3725 -10.7824 5.02294 TIMING: 4946200 CPU: 14376, 0.00289134/step Wall: 14376, 0.00289134/step, 0.0432095 hours remaining, 207.933594 MB of memory in use. ENERGY: 4946200 763.0004 2117.4543 1980.4145 104.7516 -206485.7813 17951.5392 0.0000 0.0000 34086.7701 -149481.8512 297.6882 -183568.6213 -149380.8561 299.1326 54.0994 91.6487 557292.6988 -0.9588 -0.9246 PRESSURE: 4946400 -96.5264 97.2692 49.193 97.2692 -43.383 80.8394 49.1942 80.8374 78.2584 GPRESSURE: 4946400 -83.933 126.753 141.795 82.2865 13.7567 63.8906 -71.681 63.823 107.666 PRESSAVG: 4946400 -4.02822 41.5838 32.7993 41.5838 -23.8951 27.2617 32.7994 27.2616 29.6971 GPRESSAVG: 4946400 -2.53447 41.9439 35.7639 43.5749 -23.7512 27.2005 31.7203 27.9776 28.7647 TIMING: 4946400 CPU: 14376.6, 0.00290141/step Wall: 14376.6, 0.00290141/step, 0.0431987 hours remaining, 207.933594 MB of memory in use. ENERGY: 4946400 728.0770 2104.6246 1981.7944 116.3504 -206526.4916 17815.7394 0.0000 0.0000 34205.7476 -149574.1582 298.7273 -183779.9058 -149474.1413 298.8401 -20.5503 12.4964 557710.3659 0.5913 0.8263 PRESSURE: 4946600 -66.1474 26.8688 9.83786 26.8673 102.201 142.811 9.83707 142.812 94.5287 GPRESSURE: 4946600 16.2637 3.26587 111.486 87.9357 92.7 195.47 -5.00703 43.3993 124.119 PRESSAVG: 4946600 4.68224 78.3314 47.2746 78.3314 -6.90632 48.601 47.2747 48.6009 28.9427 GPRESSAVG: 4946600 2.73698 77.593 47.555 77.1195 -6.49526 49.1371 47.7016 47.1264 29.6869 TIMING: 4946600 CPU: 14377.2, 0.00288433/step Wall: 14377.2, 0.00288432/step, 0.0427841 hours remaining, 207.933594 MB of memory in use. ENERGY: 4946600 721.7043 2095.8168 1951.6172 109.0411 -206877.0048 18118.4656 0.0000 0.0000 34217.6862 -149662.6737 298.8316 -183880.3598 -149567.8173 298.6639 43.5275 77.6941 555473.6978 8.9062 8.6429 PRESSURE: 4946800 -164.342 -10.5848 54.2465 -10.5848 39.1772 -142.853 54.2466 -142.851 239.652 GPRESSURE: 4946800 -117.232 -106.346 10.3433 13.1167 35.9924 -207.55 96.3253 -26.5184 293.514 PRESSAVG: 4946800 -18.8185 24.5785 12.0134 24.5784 -45.8404 31.2777 12.0134 31.2779 60.3528 GPRESSAVG: 4946800 -17.6171 24.8753 11.3645 24.5146 -48.3304 28.7194 11.7541 33.935 61.3188 TIMING: 4946800 CPU: 14377.7, 0.00289273/step Wall: 14377.7, 0.00289273/step, 0.0427481 hours remaining, 207.933594 MB of memory in use. ENERGY: 4946800 732.7035 2146.5515 1959.8820 106.1404 -206653.3758 17908.4650 0.0000 0.0000 34125.5004 -149674.1331 298.0265 -183799.6335 -149585.1814 298.0302 38.1627 70.7581 556220.0100 -1.4354 -1.5429 PRESSURE: 4947000 -25.5832 1.50211 -7.83276 1.50157 222.562 -100.098 -7.83132 -100.098 216.378 GPRESSURE: 4947000 31.2662 92.2708 -83.6544 -7.23497 218.81 -24.6607 -10.0414 -19.4488 261.763 PRESSAVG: 4947000 -43.4106 9.71471 8.41257 9.71461 4.66976 14.7459 8.41263 14.746 58.8831 GPRESSAVG: 4947000 -42.4699 11.3466 6.84565 8.97258 5.44055 16.7124 8.3545 14.3116 57.172 TIMING: 4947000 CPU: 14378.3, 0.00291172/step Wall: 14378.3, 0.00291172/step, 0.0428669 hours remaining, 207.933594 MB of memory in use. ENERGY: 4947000 697.4896 2134.2505 1941.7837 103.3805 -206836.1794 18171.4151 0.0000 0.0000 34209.0392 -149578.8208 298.7560 -183787.8600 -149479.9737 298.3701 137.7856 170.6129 556919.8035 6.7141 6.7142 PRESSURE: 4947200 84.2799 57.586 21.5361 57.5852 175.229 -117.147 21.5371 -117.147 -156.125 GPRESSURE: 4947200 37.408 55.8877 24.1147 62.3925 241.789 -87.7675 99.6954 -138.834 -81.8061 PRESSAVG: 4947200 43.8808 43.367 52.163 43.367 -2.72687 -18.0346 52.163 -18.0347 -20.0964 GPRESSAVG: 4947200 42.9136 41.1564 52.46 45.2946 -3.4636 -20.1351 52.7089 -16.8829 -19.0141 TIMING: 4947200 CPU: 14378.9, 0.00292326/step Wall: 14378.9, 0.00292326/step, 0.0428745 hours remaining, 207.933594 MB of memory in use. ENERGY: 4947200 760.1373 2126.7615 1958.1159 116.3805 -207004.4280 18121.3022 0.0000 0.0000 34359.5576 -149562.1729 300.0706 -183921.7305 -149465.7989 298.7839 34.4614 65.7968 555984.5310 7.0192 6.8120 PRESSURE: 4947400 41.8126 -223.511 9.70902 -223.513 -24.5205 -4.85628 9.70917 -4.85698 -104.551 GPRESSURE: 4947400 63.8214 -257.368 13.2216 -210.237 13.4107 70.6263 -16.0865 -118.459 -54.9741 PRESSAVG: 4947400 -21.5625 -44.8588 33.6163 -44.8588 25.0357 -7.03955 33.6164 -7.0395 -35.001 GPRESSAVG: 4947400 -22.0828 -46.1129 33.1805 -44.4445 25.7997 -6.22399 35.0769 -4.99982 -34.9964 TIMING: 4947400 CPU: 14379.5, 0.0029223/step Wall: 14379.5, 0.0029223/step, 0.042698 hours remaining, 207.933594 MB of memory in use. ENERGY: 4947400 728.5062 2080.7789 1944.3538 106.1216 -206425.4911 17792.7740 0.0000 0.0000 34131.9112 -149641.0453 298.0825 -183772.9565 -149544.2365 298.6909 -29.0861 7.4194 557106.3290 -10.5093 -10.4265 PRESSURE: 4947600 -29.7398 -2.06744 -57.8323 -2.0662 -148.378 -89.0271 -57.8318 -89.0267 69.4368 GPRESSURE: 4947600 20.2603 16.416 -126.992 -1.40718 -132.506 -121.478 -10.9797 -44.3701 97.9827 PRESSAVG: 4947600 31.1825 49.5393 -15.8882 49.5392 -3.27273 -69.9691 -15.8882 -69.9691 -20.8594 GPRESSAVG: 4947600 32.9754 50.4792 -15.8016 47.5007 -3.67097 -70.4437 -16.4719 -71.7958 -22.3511 TIMING: 4947600 CPU: 14380.1, 0.00292898/step Wall: 14380.1, 0.00292898/step, 0.042633 hours remaining, 207.933594 MB of memory in use. ENERGY: 4947600 733.7498 2141.5568 1986.0932 111.4580 -206425.8671 17819.4468 0.0000 0.0000 34035.3962 -149598.1663 297.2396 -183633.5625 -149507.1396 297.6220 -36.2270 -4.7542 556140.5417 2.3501 2.3178 PRESSURE: 4947800 11.0812 -6.4524 -103.622 -6.4528 -269.909 290.501 -103.623 290.502 -32.3585 GPRESSURE: 4947800 48.5347 67.7691 -107.862 55.376 -220.361 239.854 -115.165 282.252 -24.1032 PRESSAVG: 4947800 -27.3431 -8.89226 12.1291 -8.89225 6.02229 -32.4609 12.129 -32.4609 -27.8214 GPRESSAVG: 4947800 -29.9708 -9.77496 11.47 -7.81616 6.96803 -31.3844 11.7262 -34.9022 -26.4233 TIMING: 4947800 CPU: 14380.7, 0.00292246/step Wall: 14380.7, 0.00292246/step, 0.0423757 hours remaining, 207.933594 MB of memory in use. ENERGY: 4947800 748.3966 2153.5427 1951.2445 126.0705 -206302.6583 17646.3674 0.0000 0.0000 34227.3278 -149449.7089 298.9158 -183677.0367 -149350.3320 298.7360 -97.0622 -65.3099 557098.8570 -16.3807 -16.4754 PRESSURE: 4948000 89.6761 25.8497 -109.17 25.8496 66.3803 -44.8432 -109.168 -44.845 274.348 GPRESSURE: 4948000 143.865 -8.73476 -78.6294 103.652 30.1359 -9.17261 -120.594 -111.211 345.304 PRESSAVG: 4948000 -47.6448 27.9159 11.6372 27.916 -29.3039 -15.1517 11.6371 -15.1517 81.6421 GPRESSAVG: 4948000 -46.3516 27.991 13.0012 27.0736 -30.3597 -17.5846 13.1645 -13.1246 81.4386 TIMING: 4948000 CPU: 14381.2, 0.00291327/step Wall: 14381.2, 0.00291327/step, 0.0420805 hours remaining, 207.933594 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: 4948000 777.3768 2092.7225 1971.9990 122.1639 -207068.0150 18217.0829 0.0000 0.0000 34333.7621 -149552.9078 299.8453 -183886.6699 -149460.1626 298.6382 143.4682 173.1017 555706.1562 1.5645 1.5758 PRESSURE: 4948200 140.15 37.2497 -58.9855 37.2493 139.497 93.2553 -58.9864 93.256 -137.301 GPRESSURE: 4948200 142.047 111.339 -132.141 -18.2634 135.666 159.03 77.577 143.119 -31.4035 PRESSAVG: 4948200 -26.8606 38.9261 -21.8517 38.9262 19.1574 -42.9865 -21.8517 -42.9865 7.50433 GPRESSAVG: 4948200 -27.5211 40.3218 -21.0456 37.9706 18.311 -40.2411 -24.394 -43.3114 9.00731 TIMING: 4948200 CPU: 14381.8, 0.00292378/step Wall: 14381.8, 0.00292378/step, 0.04207 hours remaining, 207.933594 MB of memory in use. ENERGY: 4948200 778.5562 2128.7296 1929.7342 117.2019 -206958.8663 18189.4611 0.0000 0.0000 34335.3751 -149479.8082 299.8594 -183815.1833 -149379.0534 298.6129 47.4487 82.1030 556688.4115 -0.0663 -0.0676 LDB: ============= START OF LOAD BALANCING ============== 14385.3 LDB: ============== END OF LOAD BALANCING =============== 14385.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14385.3 LDB: ============= START OF LOAD BALANCING ============== 14385.6 LDB: Largest compute 4848 load 0.028487 is 24.2% of average load 0.117823 LDB: Average compute 0.001736 is 1.5% of average load 0.117823 LDB: TIME 14385.6 LOAD: AVG 0.117823 MAX 0.190752 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.332 MB LDB: TIME 14385.6 LOAD: AVG 0.117823 MAX 0.190752 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: TIME 14385.6 LOAD: AVG 0.117823 MAX 0.190752 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.535 MB LDB: ============== END OF LOAD BALANCING =============== 14385.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14385.6 PRESSURE: 4948400 -260.079 19.9212 170.672 19.9206 -263.445 -2.47514 170.672 -2.47723 -65.4784 GPRESSURE: 4948400 -203.102 34.7507 99.979 -15.7675 -226.718 68.1985 95.8803 -55.671 -68.7856 PRESSAVG: 4948400 9.14775 31.4878 -0.0869761 31.4879 -11.611 -14.8765 -0.0869676 -14.8764 -8.13689 GPRESSAVG: 4948400 8.08785 31.1243 -3.02478 31.5462 -9.87305 -15.0552 3.37921 -13.8094 -9.13723 TIMING: 4948400 CPU: 14382.4, 0.00299293/step Wall: 14382.4, 0.00299293/step, 0.0428986 hours remaining, 206.843750 MB of memory in use. ENERGY: 4948400 761.4402 2147.7703 1945.7297 108.3771 -206334.2895 17654.1021 0.0000 0.0000 34236.5213 -149480.3488 298.9961 -183716.8701 -149380.0380 298.8867 -196.3342 -166.2018 559118.7646 -3.5334 -3.6408 PRESSURE: 4948600 80.6093 -126.95 -1.60985 -126.947 178.937 10.1745 -1.60925 10.1719 -92.2892 GPRESSURE: 4948600 134.01 -60.2573 -71.9908 -145.427 250.171 -15.9376 18.966 -24.1708 -118.607 PRESSAVG: 4948600 8.59544 1.05601 -23.8108 1.05607 19.0033 -8.69376 -23.8107 -8.69372 -23.8251 GPRESSAVG: 4948600 8.97195 2.40813 -23.4672 0.480329 19.0917 -9.35061 -24.5159 -8.85457 -24.3011 TIMING: 4948600 CPU: 14383, 0.00294534/step Wall: 14383, 0.00294534/step, 0.0420529 hours remaining, 207.046875 MB of memory in use. ENERGY: 4948600 759.0462 2171.7664 1966.5180 117.3592 -206811.1038 18145.6439 0.0000 0.0000 34122.0704 -149528.6997 297.9965 -183650.7701 -149431.8425 298.7983 55.7525 88.5246 558997.3028 1.2579 1.2542 PRESSURE: 4948800 -48.6886 120.36 -24.2847 120.359 -114.254 -56.1068 -24.2852 -56.106 -46.1271 GPRESSURE: 4948800 -31.4824 118.742 42.3472 118.324 -71.3004 -144.184 -62.434 -95.0043 -4.82025 PRESSAVG: 4948800 53.157 12.089 -37.0663 12.089 -27.8522 -28.513 -37.0662 -28.513 -14.1279 GPRESSAVG: 4948800 54.7883 11.5991 -36.3331 13.271 -28.4832 -27.3991 -39.1008 -31.7274 -15.1421 TIMING: 4948800 CPU: 14383.6, 0.00293133/step Wall: 14383.6, 0.00293133/step, 0.04169 hours remaining, 207.250000 MB of memory in use. ENERGY: 4948800 772.1028 2134.4584 1970.8427 120.7079 -206521.8035 18060.8791 0.0000 0.0000 33988.2559 -149474.5567 296.8279 -183462.8125 -149391.5732 298.6701 -69.6898 -35.8677 559459.5175 3.7256 3.7210 PRESSURE: 4949000 -70.5404 98.1338 127.817 98.1333 158.377 -126.762 127.819 -126.762 81.4234 GPRESSURE: 4949000 -31.748 133.211 187.553 63.0096 209.003 -48.8824 108.5 -194.895 79.9762 PRESSAVG: 4949000 -48.5349 62.4172 -14.0456 62.4172 -47.0962 -41.877 -14.0457 -41.877 72.7223 GPRESSAVG: 4949000 -48.6926 60.3031 -13.3568 62.1549 -45.8719 -40.3028 -14.2162 -40.5018 72.1898 TIMING: 4949000 CPU: 14384.2, 0.00291706/step Wall: 14384.2, 0.00291706/step, 0.041325 hours remaining, 207.250000 MB of memory in use. ENERGY: 4949000 773.7350 2182.7302 1934.9959 120.9961 -206789.0386 18114.2288 0.0000 0.0000 34165.0953 -149497.2572 298.3723 -183662.3525 -149396.4139 298.5760 56.4200 85.7438 557395.0120 -7.6362 -7.4582 PRESSURE: 4949200 -0.167277 -11.5479 71.0558 -11.5494 -363.586 131.398 71.0561 131.399 -219.603 GPRESSURE: 4949200 45.9319 -59.1599 90.8883 8.2315 -350.699 91.2996 51.0143 87.611 -193.651 PRESSAVG: 4949200 2.3525 62.4031 36.7582 62.403 -28.2706 -19.0326 36.7581 -19.0325 27.2553 GPRESSAVG: 4949200 1.50999 62.3076 35.6051 63.2781 -28.5241 -21.6078 38.1613 -17.573 27.8193 TIMING: 4949200 CPU: 14384.8, 0.00290998/step Wall: 14384.8, 0.00290998/step, 0.041063 hours remaining, 207.250000 MB of memory in use. ENERGY: 4949200 775.8444 2021.8795 1946.1813 120.6821 -206310.1603 17765.0820 0.0000 0.0000 34191.5747 -149488.9162 298.6035 -183680.4909 -149400.2186 298.9348 -194.4520 -166.1396 558190.7414 0.4457 0.2684 PRESSURE: 4949400 -59.5264 90.9155 -86.3528 90.9167 -79.9834 51.3403 -86.3533 51.3421 -159.523 GPRESSURE: 4949400 -32.8873 111.531 -113.79 43.0708 -44.7837 58.6124 -77.6455 71.0689 -130.991 PRESSAVG: 4949400 -35.0557 45.1973 50.7302 45.1973 37.9168 -20.325 50.7301 -20.3251 0.0566935 GPRESSAVG: 4949400 -35.4838 44.9412 51.937 43.2362 37.464 -19.2823 48.0608 -20.2475 0.410285 TIMING: 4949400 CPU: 14385.4, 0.00294544/step Wall: 14385.4, 0.00294544/step, 0.0413999 hours remaining, 207.250000 MB of memory in use. ENERGY: 4949400 764.7011 2085.7504 1944.7212 112.7485 -206395.6971 17902.3220 0.0000 0.0000 34251.9445 -149333.5094 299.1308 -183585.4539 -149235.2884 299.4177 -99.6774 -69.5541 557466.8835 0.9726 0.7968 PRESSURE: 4949600 34.2437 -76.6564 85.1654 -76.6555 44.4883 65.7832 85.1648 65.7828 -33.9696 GPRESSURE: 4949600 82.6472 -97.8867 26.3039 -35.9291 56.0325 88.0139 68.9777 57.8197 0.233828 PRESSAVG: 4949600 89.4708 40.8612 39.5827 40.8612 -72.3361 -7.71849 39.5827 -7.71843 19.1384 GPRESSAVG: 4949600 88.5614 40.4327 39.4089 43.2227 -72.1449 -7.84004 40.9416 -9.59962 19.549 TIMING: 4949600 CPU: 14386, 0.00294906/step Wall: 14386, 0.00294906/step, 0.0412868 hours remaining, 207.250000 MB of memory in use. ENERGY: 4949600 728.7128 2059.3494 1927.5317 111.2738 -206293.7843 17910.1108 0.0000 0.0000 34157.8019 -149399.0039 298.3086 -183556.8057 -149301.9915 299.3150 14.9208 46.3045 558076.0980 12.0911 11.9885 PRESSURE: 4949800 -272.328 -72.8491 157.63 -72.8494 -106.338 -4.38255 157.63 -4.38277 119.259 GPRESSURE: 4949800 -127.374 -62.1217 111.707 -104.273 -86.8465 -1.02527 114.242 -90.0026 61.1708 PRESSAVG: 4949800 -44.5936 94.8301 -41.8836 94.83 -35.1241 7.85941 -41.8837 7.85946 65.7304 GPRESSAVG: 4949800 -42.742 96.356 -41.8926 93.8946 -36.0572 8.24845 -42.2972 8.06037 65.5744 TIMING: 4949800 CPU: 14386.5, 0.00295094/step Wall: 14386.5, 0.00295094/step, 0.0411492 hours remaining, 207.250000 MB of memory in use. ENERGY: 4949800 741.1153 2096.6690 1962.6620 111.4858 -206499.6383 17902.8729 0.0000 0.0000 34232.4659 -149452.3675 298.9606 -183684.8334 -149356.1236 298.3366 -86.4690 -51.0165 559116.6852 -4.6624 -4.4083 PRESSURE: 4950000 -90.9016 -93.3856 111.195 -93.3873 -253.862 115.363 111.195 115.365 -202.085 GPRESSURE: 4950000 -21.4417 -37.2077 111.808 -151.963 -178.412 69.8716 111.192 96.7126 -246.687 PRESSAVG: 4950000 -39.1329 12.8526 30.5373 12.8526 28.0314 3.76025 30.5373 3.76014 48.3244 GPRESSAVG: 4950000 -40.2124 14.2519 29.6926 12.5925 28.5742 3.29192 31.9216 4.17584 48.3553 TIMING: 4950000 CPU: 14387.1, 0.00293838/step Wall: 14387.1, 0.00293838/step, 0.0408108 hours remaining, 207.250000 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: 4950000 716.8576 2090.7131 1948.6919 107.7628 -205972.8823 17410.3863 0.0000 0.0000 34289.4297 -149409.0409 299.4581 -183698.4707 -149303.6066 298.8007 -182.2828 -148.8468 559328.6897 12.4076 12.2390 PRESSURE: 4950200 128.521 -55.416 47.8382 -55.4179 -196.7 -144.949 47.8373 -144.948 -185.771 GPRESSURE: 4950200 158.556 -72.2927 34.2839 46.311 -189.145 -253.07 70.6122 -77.1414 -136.684 PRESSAVG: 4950200 58.1599 -5.47888 55.7496 -5.47886 18.9585 28.4527 55.7497 28.4526 -35.8562 GPRESSAVG: 4950200 57.9283 -7.74786 55.4647 -2.75164 19.4869 25.5135 56.4075 30.0221 -36.5348 TIMING: 4950200 CPU: 14387.7, 0.00292097/step Wall: 14387.7, 0.00292097/step, 0.0404068 hours remaining, 207.250000 MB of memory in use. ENERGY: 4950200 771.3061 2108.3134 1952.3940 100.6870 -206355.0989 17932.4139 0.0000 0.0000 34134.3300 -149355.6545 298.1036 -183489.9845 -149265.4795 299.3812 -84.6502 -55.7576 559499.7074 13.7541 13.6268 PRESSURE: 4950400 -95.4783 140.004 -112.662 140.004 -70.4052 -19.3153 -112.662 -19.3149 -178.948 GPRESSURE: 4950400 -93.1835 125.224 -80.0174 216.795 5.94354 -52.9759 -107.482 -46.7693 -157.319 PRESSAVG: 4950400 54.1833 43.8057 13.3153 43.8057 -15.5137 -8.73335 13.3151 -8.73337 30.9964 GPRESSAVG: 4950400 54.2578 43.7076 15.1245 42.5803 -15.5848 -4.75217 11.3916 -11.1591 31.0042 TIMING: 4950400 CPU: 14388.3, 0.00290385/step Wall: 14388.3, 0.00290385/step, 0.0400086 hours remaining, 207.250000 MB of memory in use. ENERGY: 4950400 737.1710 2053.4963 1933.9055 102.9949 -206132.3576 17795.2131 0.0000 0.0000 34226.9265 -149282.6502 298.9123 -183509.5767 -149181.5001 299.0715 -114.9438 -81.5196 560336.6224 23.2220 23.2257 PRESSURE: 4950600 -201.413 94.3419 28.8736 94.3408 74.1317 103.05 28.874 103.049 -102.489 GPRESSURE: 4950600 -181.244 139.626 45.0789 22.3944 132.062 141.888 49.0219 117.32 -80.8324 PRESSAVG: 4950600 -10.8118 61.6187 25.4084 61.6187 -2.25326 8.46835 25.4082 8.46835 -4.7149 GPRESSAVG: 4950600 -11.5189 61.9686 23.6302 61.031 -4.0387 7.99049 25.8858 10.2041 -2.28521 TIMING: 4950600 CPU: 14388.9, 0.00294598/step Wall: 14388.9, 0.00294598/step, 0.0404254 hours remaining, 207.250000 MB of memory in use. ENERGY: 4950600 751.6777 2096.0166 1957.2618 112.9187 -206129.8392 17728.2204 0.0000 0.0000 34309.8017 -149173.9423 299.6360 -183483.7440 -149082.5061 299.2168 -76.5898 -43.3381 558086.7527 -5.9267 -5.9476 PRESSURE: 4950800 -163.14 -83.0491 5.19673 -83.049 63.2619 18.6844 5.1958 18.6841 50.8081 GPRESSURE: 4950800 -106.813 -57.7698 -40.8076 -37.0812 54.3147 5.36586 18.4268 42.6672 85.4105 PRESSAVG: 4950800 -84.0645 17.3834 23.2997 17.3834 54.1309 47.5978 23.2997 47.5976 16.7369 GPRESSAVG: 4950800 -82.6195 16.1727 24.6178 17.3292 54.4633 45.9504 23.2405 48.195 15.2696 TIMING: 4950800 CPU: 14389.5, 0.0029358/step Wall: 14389.5, 0.0029358/step, 0.0401226 hours remaining, 207.250000 MB of memory in use. ENERGY: 4950800 798.2157 2036.3016 1970.4833 113.3241 -206112.0658 17748.9098 0.0000 0.0000 34451.6533 -148993.1781 300.8749 -183444.8314 -148891.1721 299.8087 -16.3565 10.9706 557735.5151 -4.3989 -4.2956 PRESSURE: 4951000 114.73 -57.8546 39.3793 -57.8559 -137.555 -124.752 39.3789 -124.751 218.643 GPRESSURE: 4951000 142.955 -128.572 29.2897 43.4095 -58.4962 -159.49 129.182 -36.0304 207.283 PRESSAVG: 4951000 -33.5634 -21.0128 18.5887 -21.0128 47.9177 -0.597348 18.5887 -0.597353 -35.9841 GPRESSAVG: 4951000 -33.6616 -19.4067 16.0676 -22.8247 48.4297 1.2305 17.4863 -1.35891 -36.3606 TIMING: 4951000 CPU: 14390.1, 0.00292433/step Wall: 14390.1, 0.00292433/step, 0.0398033 hours remaining, 207.250000 MB of memory in use. ENERGY: 4951000 732.8844 2074.0083 1955.4746 114.4952 -206058.5579 17816.8456 0.0000 0.0000 34458.4955 -148906.3541 300.9346 -183364.8497 -148810.0194 299.3299 65.2729 97.2475 557166.8334 -7.2099 -7.1975 PRESSURE: 4951200 102.823 93.1369 25.4584 93.1363 -117.717 111.605 25.4567 111.604 -18.1045 GPRESSURE: 4951200 107.435 87.4427 -76.19 103.873 -44.9602 77.8894 7.81762 146.474 7.68719 PRESSAVG: 4951200 14.3717 -19.2713 29.8356 -19.2712 -0.223108 -41.9176 29.8356 -41.9178 -11.2264 GPRESSAVG: 4951200 13.5675 -20.2765 28.7941 -18.9996 0.398441 -44.6417 30.6486 -39.963 -11.0369 TIMING: 4951200 CPU: 14390.6, 0.00294757/step Wall: 14390.6, 0.00294757/step, 0.039956 hours remaining, 207.250000 MB of memory in use. ENERGY: 4951200 735.6100 2129.1074 1946.8680 112.1997 -205745.7351 17646.7022 0.0000 0.0000 34224.8715 -148950.3763 298.8943 -183175.2479 -148846.0884 299.7553 -10.9996 23.3874 557458.2315 0.9741 0.9763 PRESSURE: 4951400 164.687 -73.2232 5.16552 -73.2234 -205.196 123.036 5.1638 123.038 282.638 GPRESSURE: 4951400 168.017 -123.763 6.91314 3.8555 -184.887 109.824 -47.6728 144.842 371.17 PRESSAVG: 4951400 22.0119 43.7646 -40.8477 43.7646 -24.2686 32.7399 -40.8477 32.7399 9.54539 GPRESSAVG: 4951400 21.7823 43.6817 -37.4824 46.0396 -24.3418 34.0787 -41.3469 32.7469 10.1424 TIMING: 4951400 CPU: 14391.2, 0.00293969/step Wall: 14391.2, 0.00293969/step, 0.0396858 hours remaining, 207.250000 MB of memory in use. ENERGY: 4951400 760.9204 2117.5872 1972.0091 107.3222 -206294.9174 18016.6320 0.0000 0.0000 34411.4029 -148909.0435 300.5233 -183320.4464 -148814.4226 300.0527 80.7097 118.0998 557670.6869 2.4296 2.5277 PRESSURE: 4951600 115.61 138.572 -13.6999 138.571 -23.5483 -257.68 -13.6995 -257.681 -130.573 GPRESSURE: 4951600 163.247 105.983 -109.429 82.1408 7.20052 -267.457 8.57823 -212.436 -99.2796 PRESSAVG: 4951600 20.3112 8.48785 -54.008 8.48788 -41.3795 -31.5686 -54.0081 -31.5687 20.2716 GPRESSAVG: 4951600 21.6108 8.79206 -56.234 7.08118 -41.3 -29.7896 -53.1152 -32.6046 19.9126 TIMING: 4951600 CPU: 14391.8, 0.00292805/step Wall: 14391.8, 0.00292805/step, 0.039366 hours remaining, 207.250000 MB of memory in use. ENERGY: 4951600 766.0720 2090.2987 1959.0482 121.3300 -206261.6087 17874.9358 0.0000 0.0000 34364.4826 -149085.4415 300.1136 -183449.9241 -148988.2886 300.2149 -12.8373 23.7225 558487.0864 -0.2656 0.0744 PRESSURE: 4951800 -152.143 39.9723 -153.357 39.9717 -65.5499 151.038 -153.358 151.039 3.23376 GPRESSURE: 4951800 -81.1931 1.19485 -147.067 92.8843 -91.22 119.715 -143.604 116.331 49.459 PRESSAVG: 4951800 -9.33729 -40.406 -58.2475 -40.406 -20.1621 10.2333 -58.2475 10.2333 0.797644 GPRESSAVG: 4951800 -9.23843 -42.2174 -56.9897 -39.6048 -20.2828 7.80512 -57.0102 10.8279 1.54009 TIMING: 4951800 CPU: 14392.4, 0.00290944/step Wall: 14392.4, 0.00290944/step, 0.0389542 hours remaining, 207.250000 MB of memory in use. ENERGY: 4951800 767.7708 2094.8544 1982.0446 126.7833 -206252.6870 17801.0387 0.0000 0.0000 34206.2718 -149273.9235 298.7319 -183480.1953 -149178.1898 299.8191 -71.4865 -40.9847 558745.5596 -9.5673 -9.3271 PRESSURE: 4952000 -20.1868 113.264 -99.6754 113.264 1.51521 -240.299 -99.6752 -240.3 34.3863 GPRESSURE: 4952000 45.3163 120.118 -135.366 135.985 52.1647 -243.521 -95.3023 -292.543 12.6439 PRESSAVG: 4952000 -2.94421 25.1795 -49.6263 25.1796 3.00365 -64.8775 -49.6264 -64.8775 28.5558 GPRESSAVG: 4952000 -2.25598 26.3092 -49.9798 24.8845 3.62639 -64.3829 -51.7445 -65.6811 27.7794 TIMING: 4952000 CPU: 14393, 0.00293661/step Wall: 14393, 0.00293661/step, 0.0391549 hours remaining, 207.250000 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: 4952000 737.6735 2092.6509 1955.9381 110.7611 -206352.4361 17945.0433 0.0000 0.0000 34267.4698 -149242.8994 299.2663 -183510.3692 -149146.0814 299.0795 5.2383 36.7083 558934.7907 9.5384 9.7166 PRESSURE: 4952200 19.8852 -33.6106 -99.5505 -33.6112 -185.474 -251.905 -99.5505 -251.905 -71.9049 GPRESSURE: 4952200 26.5202 -60.7961 -29.7479 -29.5074 -116.865 -208.803 -39.9734 -254.812 -51.8892 PRESSAVG: 4952200 11.7433 23.0636 7.38116 23.0635 19.3661 -76.135 7.38117 -76.135 0.585426 GPRESSAVG: 4952200 10.6302 24.7743 7.88353 22.3134 19.32 -76.7401 7.75597 -76.6183 1.50405 TIMING: 4952200 CPU: 14393.6, 0.00294838/step Wall: 14393.6, 0.00294838/step, 0.039148 hours remaining, 207.250000 MB of memory in use. ENERGY: 4952200 733.8495 2108.0895 1967.3816 97.2526 -206519.3127 17893.6431 0.0000 0.0000 34244.6622 -149474.4342 299.0672 -183719.0963 -149379.4455 299.0005 -79.1646 -47.4114 558358.4384 10.5650 10.4848 LDB: ============= START OF LOAD BALANCING ============== 14397 LDB: ============== END OF LOAD BALANCING =============== 14397 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14397 LDB: ============= START OF LOAD BALANCING ============== 14397.3 LDB: Largest compute 4848 load 0.027956 is 23.7% of average load 0.117852 LDB: Average compute 0.001727 is 1.5% of average load 0.117852 LDB: TIME 14397.3 LOAD: AVG 0.117852 MAX 0.195006 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 14397.3 LOAD: AVG 0.117852 MAX 0.195006 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 14397.3 LOAD: AVG 0.117852 MAX 0.195006 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 14397.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14397.3 PRESSURE: 4952400 38.5422 -96.0619 64.1144 -96.0622 23.8433 33.417 64.1134 33.4174 -326.582 GPRESSURE: 4952400 45.6584 -142.764 91.8102 -105.149 20.8418 24.8461 49.0015 21.3263 -238.067 PRESSAVG: 4952400 -45.2623 22.0806 41.8191 22.0807 20.0381 -36.3449 41.8192 -36.345 41.8258 GPRESSAVG: 4952400 -43.9962 19.9152 41.0591 22.8384 19.2735 -35.8127 41.3169 -34.9205 41.5886 TIMING: 4952400 CPU: 14394.2, 0.00297471/step Wall: 14394.2, 0.00297471/step, 0.0393322 hours remaining, 208.125000 MB of memory in use. ENERGY: 4952400 730.6446 2125.6693 1958.4370 109.0353 -206429.6347 17804.0836 0.0000 0.0000 34419.3900 -149282.3749 300.5931 -183701.7649 -149184.1219 298.9631 -88.0655 -57.1890 558784.9972 5.5339 5.6220 PRESSURE: 4952600 -242.568 -13.4296 44.9627 -13.4289 94.6464 133.903 44.9623 133.903 -153.321 GPRESSURE: 4952600 -189.519 39.4592 92.1968 -98.8361 115.026 123.63 -38.108 108.523 -118.467 PRESSAVG: 4952600 -59.2534 22.3642 16.8007 22.3642 72.7338 -17.648 16.8008 -17.6479 -0.707649 GPRESSAVG: 4952600 -59.6027 24.5913 16.6143 20.5991 72.4198 -17.0431 17.2802 -18.3176 0.841249 TIMING: 4952600 CPU: 14394.8, 0.0029246/step Wall: 14394.8, 0.0029246/step, 0.0385073 hours remaining, 208.125000 MB of memory in use. ENERGY: 4952600 752.8535 2028.8489 1953.9457 131.8995 -206103.9701 17724.4953 0.0000 0.0000 34206.4013 -149305.5260 298.7330 -183511.9274 -149204.6507 298.9518 -100.4145 -64.3201 558651.9865 4.2576 4.5528 PRESSURE: 4952800 -203.302 42.7494 115.268 42.7492 69.0321 101.462 115.268 101.462 -34.6344 GPRESSURE: 4952800 -203.26 14.1095 66.0607 -54.1105 106.688 89.8995 188.141 115.927 18.0346 PRESSAVG: 4952800 -46.4957 7.14307 -20.7495 7.143 45.415 -48.6545 -20.7494 -48.6546 2.73639 GPRESSAVG: 4952800 -45.684 6.15481 -19.6699 8.15942 46.1375 -48.8069 -19.7091 -47.6595 0.890523 TIMING: 4952800 CPU: 14395.3, 0.00293212/step Wall: 14395.3, 0.00293212/step, 0.0384434 hours remaining, 208.125000 MB of memory in use. ENERGY: 4952800 729.4962 2104.1860 1959.2937 113.3399 -206141.4215 17579.6864 0.0000 0.0000 34491.7787 -149163.6406 301.2253 -183655.4193 -149067.3289 298.8446 -56.3013 -26.1790 556659.1054 0.5519 0.4480 PRESSURE: 4953000 -184.932 60.0582 -76.2699 60.0587 -157.2 199.403 -76.2687 199.401 220.172 GPRESSURE: 4953000 -111.755 109.178 -87.4055 145.706 -82.421 218.928 -147.709 127.053 174.485 PRESSAVG: 4953000 -57.1281 16.3727 6.79776 16.3728 32.1347 16.3785 6.79774 16.3784 15.896 GPRESSAVG: 4953000 -57.0532 16.1058 7.08117 16.886 32.2351 15.4483 4.60967 15.362 16.1913 TIMING: 4953000 CPU: 14395.9, 0.00291466/step Wall: 14395.9, 0.00291466/step, 0.0380524 hours remaining, 208.125000 MB of memory in use. ENERGY: 4953000 763.8064 2038.4372 1935.0088 117.3909 -206008.9526 17708.1843 0.0000 0.0000 34256.2491 -149189.8760 299.1683 -183446.1250 -149084.8812 299.7308 -40.6534 -6.5637 556385.5949 -3.0325 -2.8756 PRESSURE: 4953200 -208.304 12.1689 -44.7419 12.1692 -332.222 -3.82561 -44.7412 -3.82619 61.8937 GPRESSURE: 4953200 -165.076 22.2683 4.12881 16.1589 -281.132 -24.2533 -167.95 -24.7879 55.6551 PRESSAVG: 4953200 55.1452 -49.4248 15.6553 -49.4248 -86.0916 -24.333 15.6553 -24.3332 46.709 GPRESSAVG: 4953200 54.2182 -49.2243 14.4243 -48.5364 -86.0102 -21.4233 16.6612 -25.1209 47.3007 TIMING: 4953200 CPU: 14396.5, 0.00290415/step Wall: 14396.5, 0.00290415/step, 0.037754 hours remaining, 208.386719 MB of memory in use. ENERGY: 4953200 788.2352 2100.1787 1959.8668 113.1239 -205899.2081 17552.4539 0.0000 0.0000 34331.8555 -149053.4942 299.8286 -183385.3497 -148954.4329 299.7565 -159.5442 -130.1843 557759.5831 5.2542 5.1696 PRESSURE: 4953400 81.297 -126.731 -8.97937 -126.731 195.231 60.031 -8.98037 60.0302 254.11 GPRESSURE: 4953400 116.848 -28.3618 -48.4087 -209.998 238.055 78.5458 -36.9338 66.4103 273.669 PRESSAVG: 4953400 -27.2792 -33.6483 -26.9313 -33.6483 -10.6962 34.948 -26.9313 34.9481 45.0688 GPRESSAVG: 4953400 -27.915 -33.0932 -25.9577 -34.1223 -10.0518 30.9939 -26.5589 34.1715 45.7928 TIMING: 4953400 CPU: 14397.1, 0.00291044/step Wall: 14397.1, 0.00291044/step, 0.037674 hours remaining, 208.386719 MB of memory in use. ENERGY: 4953400 775.4199 2082.8704 1963.6452 110.7601 -206604.5097 18148.0100 0.0000 0.0000 34502.5071 -149021.2968 301.3190 -183523.8040 -148924.6939 299.8753 176.8793 209.5242 556923.8086 2.3644 2.6086 PRESSURE: 4953600 147.807 86.7644 -177.061 86.765 31.8304 55.2482 -177.062 55.2505 52.9858 GPRESSURE: 4953600 187.051 22.6819 -195.164 45.9384 109.55 76.8274 -136.734 84.6954 47.146 PRESSAVG: 4953600 67.2158 -66.0325 -55.057 -66.0326 -48.4245 -42.4649 -55.0571 -42.4648 7.66681 GPRESSAVG: 4953600 66.7725 -66.8928 -55.2341 -66.0701 -48.2819 -41.5215 -55.1213 -42.0867 8.71911 TIMING: 4953600 CPU: 14397.7, 0.00292039/step Wall: 14397.7, 0.00292039/step, 0.0376406 hours remaining, 208.386719 MB of memory in use. ENERGY: 4953600 749.7206 2094.4752 2000.5621 123.2820 -206178.2021 17785.9032 0.0000 0.0000 34562.5455 -148861.7136 301.8433 -183424.2591 -148764.3231 300.5063 77.5409 114.5825 556324.0063 8.8193 9.0699 PRESSURE: 4953800 45.3102 -56.7816 -5.7469 -56.7821 -6.38252 -29.6908 -5.74733 -29.6908 26.0938 GPRESSURE: 4953800 82.8902 -76.078 49.3687 -104.611 14.9038 -53.0946 -60.2165 -74.9107 60.2521 PRESSAVG: 4953800 52.3686 31.3481 22.5523 31.348 -14.2911 59.2646 22.5522 59.2647 -1.52181 GPRESSAVG: 4953800 52.8306 32.0109 23.7074 29.2549 -14.4437 59.6866 21.9725 58.1686 -1.99726 TIMING: 4953800 CPU: 14398.3, 0.00291613/step Wall: 14398.3, 0.00291613/step, 0.0374237 hours remaining, 208.386719 MB of memory in use. ENERGY: 4953800 770.3354 2099.4586 1969.4409 111.0551 -205979.5577 17652.4374 0.0000 0.0000 34548.4035 -148828.4267 301.7198 -183376.8302 -148731.5153 300.2890 21.6738 52.6820 556985.1594 12.1853 12.1299 PRESSURE: 4954000 -242.286 -40.801 91.0512 -40.7994 -71.0943 -123.679 91.0502 -123.679 -96.9748 GPRESSURE: 4954000 -201.468 -23.2405 45.4501 -62.3147 -69.5066 -186.491 63.7693 -112.252 -36.5321 PRESSAVG: 4954000 -9.90552 -5.68219 18.6414 -5.68215 -40.8879 -45.0812 18.6414 -45.0813 22.9189 GPRESSAVG: 4954000 -9.48892 -6.0344 17.2598 -3.97914 -41.1774 -43.8442 18.0752 -45.162 22.8868 TIMING: 4954000 CPU: 14398.8, 0.00293746/step Wall: 14398.8, 0.00293746/step, 0.0375342 hours remaining, 208.386719 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: 4954000 714.4465 2083.4113 1952.4050 121.8216 -205564.9713 17505.7166 0.0000 0.0000 34326.5373 -148860.6330 299.7822 -183187.1704 -148760.8138 300.6813 -136.7850 -102.5021 559344.3235 -9.2915 -9.2598 PRESSURE: 4954200 14.1227 86.5038 -92.282 86.5031 -37.8018 -45.4507 -92.2828 -45.4489 -248.104 GPRESSURE: 4954200 7.05255 101.259 -80.0484 -35.4125 6.9757 -105.098 -84.728 51.5625 -206.083 PRESSAVG: 4954200 30.4816 37.8876 -24.9388 37.8876 -26.3283 -21.9017 -24.9388 -21.9015 4.35111 GPRESSAVG: 4954200 31.0491 38.3636 -24.075 36.9386 -25.9393 -23.3402 -24.9701 -21.2722 3.35159 TIMING: 4954200 CPU: 14399.4, 0.00291245/step Wall: 14399.4, 0.00291245/step, 0.0370528 hours remaining, 208.386719 MB of memory in use. ENERGY: 4954200 774.1212 2067.5476 1950.0140 113.3250 -206100.7328 17695.0071 0.0000 0.0000 34260.9916 -149239.7264 299.2098 -183500.7179 -149156.3887 299.7097 -90.5944 -64.0181 557361.9014 2.8348 2.8205 PRESSURE: 4954400 24.509 -150.199 -63.3118 -150.199 -301.232 26.2369 -63.3126 26.2371 147.103 GPRESSURE: 4954400 53.5184 -139.591 -40.0749 -139.892 -262.767 37.0388 -27.7149 19.3235 180.103 PRESSAVG: 4954400 69.5246 21.3444 -23.5435 21.3445 -69.9137 3.63297 -23.5435 3.63293 2.22587 GPRESSAVG: 4954400 69.6483 20.7673 -23.8624 22.8395 -68.9264 2.28533 -22.0415 4.41557 2.06475 TIMING: 4954400 CPU: 14400, 0.00294016/step Wall: 14400, 0.00294016/step, 0.037242 hours remaining, 208.386719 MB of memory in use. ENERGY: 4954400 722.6060 2055.6612 1947.7960 113.9082 -206298.5727 17780.8038 0.0000 0.0000 34215.7023 -149462.0952 298.8142 -183677.7975 -149360.2874 298.8312 -43.2066 -9.7151 557422.2113 0.6122 0.9289 PRESSURE: 4954600 -49.6858 -76.4285 -95.5065 -76.4282 180.687 78.7816 -95.5069 78.7822 -50.7609 GPRESSURE: 4954600 12.6514 -111.15 -62.3484 -40.559 212.399 87.9197 -128.267 73.3195 -36.1682 PRESSAVG: 4954600 43.1923 -57.6491 0.58826 -57.6491 -2.98505 8.65007 0.588273 8.65017 -12.3725 GPRESSAVG: 4954600 42.3716 -56.9833 -0.246546 -59.2566 -3.93946 9.97975 -0.027006 7.44162 -11.0598 TIMING: 4954600 CPU: 14400.6, 0.00294537/step Wall: 14400.6, 0.00294537/step, 0.0371444 hours remaining, 208.386719 MB of memory in use. ENERGY: 4954600 737.1144 2077.7120 1930.1533 111.8103 -206242.1535 17797.8263 0.0000 0.0000 34276.5192 -149311.0180 299.3454 -183587.5372 -149218.1882 298.4741 26.7468 62.9609 556251.9330 9.2782 9.1241 PRESSURE: 4954800 -145.575 -18.2083 -0.185956 -18.2073 -199.285 -65.4871 -0.18757 -65.4874 -0.594028 GPRESSURE: 4954800 -141.593 -27.6887 -50.0031 1.14796 -164.188 -184.782 23.8085 -9.50524 65.8752 PRESSAVG: 4954800 16.7491 -46.2615 -32.9677 -46.2614 -28.9797 14.8131 -32.9678 14.8132 29.6192 GPRESSAVG: 4954800 17.622 -46.7083 -30.1294 -44.5929 -29.6406 13.6722 -34.393 15.5444 28.9469 TIMING: 4954800 CPU: 14401.2, 0.00294628/step Wall: 14401.2, 0.00294628/step, 0.0369922 hours remaining, 208.386719 MB of memory in use. ENERGY: 4954800 760.0338 2118.3696 1931.9225 119.3216 -206383.4091 17774.9296 0.0000 0.0000 34285.5314 -149393.3005 299.4241 -183678.8319 -149292.2974 298.6440 -115.1514 -79.9685 558579.0377 5.7962 5.6428 PRESSURE: 4955000 180.156 24.484 85.382 24.4844 322.86 -113.441 85.3812 -113.442 176.752 GPRESSURE: 4955000 192.348 127.881 91.9862 -73.7111 368.662 -112.023 143.257 -132.36 199.377 PRESSAVG: 4955000 -25.1345 -1.48003 -6.89812 -1.48002 -1.4594 -54.8176 -6.89814 -54.8176 5.86513 GPRESSAVG: 4955000 -25.3071 -0.754473 -6.63268 -1.68275 -0.85824 -54.1475 -7.22944 -54.5837 5.58527 TIMING: 4955000 CPU: 14401.8, 0.00294021/step Wall: 14401.8, 0.0029402/step, 0.0367526 hours remaining, 208.386719 MB of memory in use. ENERGY: 4955000 748.3600 2060.9393 1975.6539 122.6287 -206942.4739 18233.1473 0.0000 0.0000 34231.7033 -149570.0415 298.9540 -183801.7448 -149481.7977 298.5083 226.5892 253.4625 557445.7111 -6.9096 -6.8600 PRESSURE: 4955200 45.071 4.90052 116.131 4.90144 -232.617 29.0728 116.132 29.0705 1.02043 GPRESSURE: 4955200 136.519 -12.6075 87.8822 -33.9118 -252.885 112.414 47.3942 26.2769 37.4478 PRESSAVG: 4955200 -58.0239 -27.3614 58.3879 -27.3613 27.56 10.6426 58.3878 10.6425 4.44212 GPRESSAVG: 4955200 -59.3149 -26.7985 58.2189 -28.6275 28.1371 10.8181 58.195 11.1389 4.92711 TIMING: 4955200 CPU: 14402.4, 0.00293118/step Wall: 14402.4, 0.00293118/step, 0.0364769 hours remaining, 208.386719 MB of memory in use. ENERGY: 4955200 756.8099 2088.6062 1949.4054 123.5123 -206791.5815 18051.9637 0.0000 0.0000 34305.5577 -149515.7264 299.5990 -183821.2841 -149415.3885 298.1726 -62.1753 -26.3063 559225.0722 -8.6739 -8.7502 PRESSURE: 4955400 -123.323 -40.3082 -103.573 -40.3085 96.4776 191.094 -103.572 191.097 17.1419 GPRESSURE: 4955400 -105.048 -38.9109 -113.007 -104.195 103.127 150.602 -122.482 174.662 74.8727 PRESSAVG: 4955400 -7.81829 -53.1323 12.5638 -53.1323 -8.3798 29.5023 12.5638 29.5024 -0.377458 GPRESSAVG: 4955400 -7.67562 -54.6953 10.6577 -50.8771 -8.13328 30.7552 14.2174 27.5471 -0.62001 TIMING: 4955400 CPU: 14403, 0.00291922/step Wall: 14403, 0.00291922/step, 0.0361659 hours remaining, 208.386719 MB of memory in use. ENERGY: 4955400 780.9755 2124.0962 1983.4069 116.7282 -206423.8575 18044.2788 0.0000 0.0000 33917.5706 -149456.8011 296.2106 -183374.3717 -149361.5954 298.1225 -3.2344 24.3175 559372.5391 -5.5252 -5.4763 PRESSURE: 4955600 -18.8931 138.669 188.456 138.669 -169.907 104.612 188.458 104.613 -206.222 GPRESSURE: 4955600 69.8479 265.341 111.621 186.855 -174.805 165.352 163.161 35.051 -208.075 PRESSAVG: 4955600 66.1187 -19.8174 10.6016 -19.8175 -11.2939 11.5643 10.6016 11.5641 -19.953 GPRESSAVG: 4955600 66.7371 -18.241 10.0513 -22.0824 -12.946 11.0897 8.949 12.6918 -19.4806 TIMING: 4955600 CPU: 14403.5, 0.00293263/step Wall: 14403.5, 0.00293263/step, 0.0361691 hours remaining, 208.386719 MB of memory in use. ENERGY: 4955600 688.7251 2137.2518 1931.4344 107.1221 -206068.4564 17465.3863 0.0000 0.0000 34129.2430 -149609.2937 298.0592 -183738.5367 -149521.5536 297.4120 -131.6740 -104.3441 558364.9764 11.6239 11.4368 PRESSURE: 4955800 94.9998 135.924 168.933 135.923 27.6775 -10.6409 168.933 -10.6403 62.5049 GPRESSURE: 4955800 108.053 132.713 105.385 162.739 70.9734 63.2207 225.842 -72.7825 93.322 PRESSAVG: 4955800 0.551822 -3.73124 -3.12985 -3.7311 -6.52246 17.2343 -3.12978 17.2342 -7.18387 GPRESSAVG: 4955800 0.771246 -4.25088 -3.91262 -2.25401 -5.74177 18.8943 -1.14393 15.8124 -8.22021 TIMING: 4955800 CPU: 14404.1, 0.00289638/step Wall: 14404.1, 0.00289638/step, 0.0355611 hours remaining, 208.386719 MB of memory in use. ENERGY: 4955800 730.1576 2098.0541 1951.4488 109.6530 -206680.0229 18012.3985 0.0000 0.0000 34275.9091 -149502.4018 299.3400 -183778.3109 -149407.7914 298.4699 61.7274 90.7827 557317.8391 -4.3848 -4.3969 PRESSURE: 4956000 -72.5411 -97.0551 -74.481 -97.0549 150.278 63.4192 -74.4807 63.4182 69.4887 GPRESSURE: 4956000 2.08798 -104.203 -37.4119 -108.693 163.017 19.3038 -96.8999 67.8475 65.7075 PRESSAVG: 4956000 -30.614 -1.53614 -17.2064 -1.53612 46.5958 33.9865 -17.2064 33.9865 25.3959 GPRESSAVG: 4956000 -30.4187 -0.881033 -16.5456 -2.56289 45.4202 31.4651 -17.7411 34.9616 25.4574 TIMING: 4956000 CPU: 14404.7, 0.00290671/step Wall: 14404.7, 0.00290671/step, 0.0355265 hours remaining, 208.386719 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: 4956000 737.6018 2057.1901 1941.0067 119.1651 -206767.9624 18107.5682 0.0000 0.0000 34251.6187 -149553.8118 299.1279 -183805.4305 -149447.2842 298.1287 49.0752 76.9374 557028.7853 13.7925 13.4863 PRESSURE: 4956200 -144.841 -46.6023 -172.822 -46.6028 -435.354 -117.813 -172.823 -117.813 -16.6252 GPRESSURE: 4956200 -159.796 -51.9766 -96.7177 -40.5377 -373.908 -93.0005 -201.273 -105.253 22.7987 PRESSAVG: 4956200 5.15073 1.63816 -2.04009 1.63806 -44.4338 -18.0143 -2.04019 -18.0143 30.3293 GPRESSAVG: 4956200 7.22191 0.337149 -0.855789 2.03205 -45.3699 -16.8997 -3.66815 -18.3935 29.5966 TIMING: 4956200 CPU: 14405.3, 0.00290208/step Wall: 14405.3, 0.00290208/step, 0.0353087 hours remaining, 208.386719 MB of memory in use. ENERGY: 4956200 758.9592 2092.6568 1983.3787 104.3406 -206341.2946 17610.8440 0.0000 0.0000 34348.8649 -149442.2504 299.9772 -183791.1153 -149335.8350 298.8777 -198.9400 -170.3020 556804.0776 -2.9846 -2.8505 LDB: ============= START OF LOAD BALANCING ============== 14408.7 LDB: ============== END OF LOAD BALANCING =============== 14408.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14408.7 LDB: ============= START OF LOAD BALANCING ============== 14409 LDB: Largest compute 4848 load 0.029052 is 24.7% of average load 0.117790 LDB: Average compute 0.001727 is 1.5% of average load 0.117790 LDB: TIME 14409 LOAD: AVG 0.11779 MAX 0.192932 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 14409 LOAD: AVG 0.11779 MAX 0.192932 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: TIME 14409 LOAD: AVG 0.11779 MAX 0.192932 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 205.871 MB LDB: ============== END OF LOAD BALANCING =============== 14409 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14409.1 PRESSURE: 4956400 -10.9144 60.3621 -56.4818 60.3621 -38.4884 -34.6399 -56.481 -34.6391 -30.6484 GPRESSURE: 4956400 0.405742 65.4758 -44.4904 129.922 -98.7329 2.20993 -37.4911 -29.0512 122.064 PRESSAVG: 4956400 -13.487 4.67654 -10.6486 4.67654 -37.6773 -52.9522 -10.6486 -52.9523 43.4439 GPRESSAVG: 4956400 -16.1465 4.96779 -10.5234 3.02538 -36.8902 -54.5862 -10.2896 -53.6794 44.8739 TIMING: 4956400 CPU: 14405.9, 0.0029954/step Wall: 14405.9, 0.0029954/step, 0.0362777 hours remaining, 205.359375 MB of memory in use. ENERGY: 4956400 789.1959 2045.0886 1946.5860 117.3512 -206352.0789 17575.5472 0.0000 0.0000 34162.2699 -149716.0399 298.3476 -183878.3098 -149623.6327 299.1023 -26.6837 7.9121 555681.3011 -2.5735 -2.7209 PRESSURE: 4956600 29.0919 -1.66784 123.817 -1.66696 166.584 88.8589 123.818 88.8586 122.632 GPRESSURE: 4956600 23.7219 44.0623 74.8721 29.3024 227.4 140.483 102.614 68.3505 165.395 PRESSAVG: 4956600 17.3178 -5.00465 -5.32571 -5.00469 -1.86527 44.1943 -5.32572 44.1944 -18.4054 GPRESSAVG: 4956600 16.269 -5.70054 -7.71142 -1.59151 -1.04775 45.1459 -2.32234 44.0302 -17.5744 TIMING: 4956600 CPU: 14406.5, 0.00292269/step Wall: 14406.5, 0.00292269/step, 0.0352346 hours remaining, 205.359375 MB of memory in use. ENERGY: 4956600 750.4339 2096.4311 1949.9660 97.1773 -206558.0950 18042.1608 0.0000 0.0000 33870.2476 -149751.6782 295.7973 -183621.9258 -149653.3639 297.2414 106.1026 138.8389 557444.8907 -0.9843 -0.7844 PRESSURE: 4956800 14.9166 98.699 97.3793 98.6986 27.0621 47.0859 97.3783 47.0869 192.861 GPRESSURE: 4956800 103.443 54.0191 103.673 -27.8273 82.6934 33.9107 107.251 75.0639 136.045 PRESSAVG: 4956800 6.14128 -14.5885 75.7389 -14.5885 -17.9277 39.1507 75.739 39.1508 -46.8283 GPRESSAVG: 4956800 7.23875 -16.3033 77.9042 -14.8828 -18.547 37.1419 74.6974 41.3856 -47.6547 TIMING: 4956800 CPU: 14407, 0.00293376/step Wall: 14407, 0.00293376/step, 0.0352051 hours remaining, 205.359375 MB of memory in use. ENERGY: 4956800 720.1988 2086.8997 1938.4535 112.2295 -206846.5913 18095.0410 0.0000 0.0000 34218.8348 -149674.9341 298.8416 -183893.7689 -149575.3790 298.2139 78.2799 107.3936 558256.7312 -19.5383 -19.6543 PRESSURE: 4957000 163.892 94.0794 82.3103 94.0797 87.5123 114.82 82.31 114.821 45.7447 GPRESSURE: 4957000 160.768 93.7695 50.2194 66.9731 152.733 11.8032 154.49 76.6403 85.5991 PRESSAVG: 4957000 39.7658 -15.8555 34.8657 -15.8555 14.2181 7.36593 34.8658 7.36598 -13.3634 GPRESSAVG: 4957000 38.7872 -13.5854 33.6178 -17.7176 15.471 7.52115 33.2547 8.50885 -13.5354 TIMING: 4957000 CPU: 14407.6, 0.00292779/step Wall: 14407.6, 0.00292779/step, 0.0349708 hours remaining, 205.359375 MB of memory in use. ENERGY: 4957000 747.0273 2067.8772 1929.5635 120.9044 -206778.0022 18056.1421 0.0000 0.0000 34090.7814 -149765.7063 297.7233 -183856.4877 -149666.2830 298.2210 99.0497 133.0332 556496.0743 13.5402 13.5743 PRESSURE: 4957200 -196.75 130.544 -17.1412 130.543 164.939 65.8235 -17.1409 65.8237 -236.008 GPRESSURE: 4957200 -149.558 148.643 62.6745 88.5437 195.885 60.2792 -11.3245 75.8481 -219.083 PRESSAVG: 4957200 21.2446 16.9741 -21.4184 16.9741 -30.243 -19.1052 -21.4185 -19.1052 26.4909 GPRESSAVG: 4957200 21.8028 15.1665 -21.6391 18.251 -30.3443 -18.3198 -20.5793 -20.3799 26.2754 TIMING: 4957200 CPU: 14408.2, 0.00294683/step Wall: 14408.2, 0.00294683/step, 0.0350346 hours remaining, 205.562500 MB of memory in use. ENERGY: 4957200 761.9826 2034.3974 1929.8994 107.5145 -206339.3841 17793.6087 0.0000 0.0000 34098.5118 -149613.4696 297.7908 -183711.9815 -149521.1507 297.3374 -89.2731 -57.5854 558887.4560 5.8308 5.9113 PRESSURE: 4957400 -241.88 -28.0474 48.5995 -28.0488 -39.3817 25.5993 48.6003 25.5975 143.26 GPRESSURE: 4957400 -197.598 73.4718 102.536 -1.23451 -17.457 40.3261 62.4579 42.8033 178.037 PRESSAVG: 4957400 -35.8631 -6.30378 21.1708 -6.30369 -27.8478 -26.1211 21.1708 -26.1211 77.2533 GPRESSAVG: 4957400 -35.3858 -7.82538 21.9155 -7.01663 -29.8997 -25.699 21.6272 -28.1674 78.985 TIMING: 4957400 CPU: 14408.8, 0.00296554/step Wall: 14408.8, 0.00296554/step, 0.0350922 hours remaining, 205.562500 MB of memory in use. ENERGY: 4957400 745.0376 2099.9501 1958.2823 117.6979 -206171.6934 17636.6665 0.0000 0.0000 34015.9602 -149598.0989 297.0698 -183614.0590 -149502.8915 297.4482 -46.0006 -12.3393 558264.2387 4.5142 4.5665 PRESSURE: 4957600 44.1681 -0.499141 -26.0835 -0.499849 43.3174 174.755 -26.0831 174.756 -38.9746 GPRESSURE: 4957600 66.1379 34.212 -48.3427 19.5986 98.9988 226.716 -81.9674 207.17 -30.0365 PRESSAVG: 4957600 47.561 -23.3796 -22.442 -23.3796 -65.0233 61.3765 -22.442 61.3766 44.8594 GPRESSAVG: 4957600 47.0767 -21.1092 -24.2975 -23.3726 -63.3928 61.412 -21.9796 62.4716 43.8576 TIMING: 4957600 CPU: 14409.4, 0.00296712/step Wall: 14409.4, 0.00296712/step, 0.034946 hours remaining, 205.562500 MB of memory in use. ENERGY: 4957600 748.2600 2115.4688 1933.6282 117.9172 -206398.4645 17872.3184 0.0000 0.0000 34130.0173 -149480.8545 298.0659 -183610.8718 -149380.7809 297.5457 16.1703 45.0334 557272.0162 9.1324 9.1805 PRESSURE: 4957800 -29.4299 -56.2423 -22.3596 -56.2414 -49.9026 -85.1824 -22.359 -85.1812 -78.135 GPRESSURE: 4957800 -29.2362 -93.1407 1.09238 -48.2779 -0.0737141 -54.7972 -79.4149 -41.5104 -31.4237 PRESSAVG: 4957800 -48.066 -47.8328 5.66769 -47.8329 42.3858 29.0422 5.66771 29.0421 3.0052 GPRESSAVG: 4957800 -48.404 -47.3579 7.15934 -48.5912 42.5327 28.8276 3.7181 29.2729 2.76956 TIMING: 4957800 CPU: 14410, 0.0029366/step Wall: 14410, 0.0029366/step, 0.0344234 hours remaining, 205.562500 MB of memory in use. ENERGY: 4957800 726.8533 2068.8941 1944.7214 120.9917 -206405.8865 17776.2507 0.0000 0.0000 34164.6660 -149603.5093 298.3685 -183768.1753 -149505.3761 298.1298 -52.4892 -20.2445 557808.1263 -0.8917 -1.0339 PRESSURE: 4958000 97.9171 -54.3058 -7.65174 -54.3067 108.494 -15.7099 -7.65181 -15.71 -78.7731 GPRESSURE: 4958000 124.783 -39.6 -24.6962 -60.9921 150.943 26.8148 66.2898 32.1369 -42.1827 PRESSAVG: 4958000 -8.09052 -0.820175 27.486 -0.820203 60.957 -27.5435 27.486 -27.5435 -19.6311 GPRESSAVG: 4958000 -7.68971 -0.266526 28.1993 -1.36123 60.244 -25.9981 29.5261 -28.3522 -20.0449 TIMING: 4958000 CPU: 14410.6, 0.00293436/step Wall: 14410.6, 0.00293436/step, 0.0342342 hours remaining, 205.562500 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: 4958000 723.4708 2035.2560 1941.1827 116.0483 -206552.4091 18141.1718 0.0000 0.0000 33863.7650 -149731.5145 295.7407 -183595.2795 -149643.9221 297.6284 42.5459 77.8480 559075.4942 11.0785 10.8364 PRESSURE: 4958200 175.62 -47.192 -124.798 -47.1906 -59.3948 142.402 -124.798 142.401 317.612 GPRESSURE: 4958200 169.436 -91.2114 -50.0316 -3.12898 23.9086 146.031 -155.821 169.182 344.276 PRESSAVG: 4958200 -17.2622 24.905 13.8591 24.9051 -64.4658 51.2691 13.8591 51.2691 56.7009 GPRESSAVG: 4958200 -17.0207 23.3102 13.2736 26.2727 -64.5387 50.1983 12.325 53.2041 56.5361 TIMING: 4958200 CPU: 14411.2, 0.00292778/step Wall: 14411.2, 0.00292778/step, 0.0339948 hours remaining, 205.562500 MB of memory in use. ENERGY: 4958200 695.7312 2117.4329 1950.7730 119.0927 -206779.7547 18113.1228 0.0000 0.0000 34260.0202 -149523.5819 299.2013 -183783.6021 -149419.7646 297.7975 144.6125 179.2069 558245.9488 -8.3424 -8.3411 PRESSURE: 4958400 329.393 -75.2072 112.034 -75.2062 -62.0152 -10.5582 112.034 -10.5566 93.5054 GPRESSURE: 4958400 296.519 -161.464 96.0072 -56.1782 8.69931 82.9787 26.7893 -74.3808 146.94 PRESSAVG: 4958400 -13.9946 -21.4919 -1.46464 -21.4919 38.636 49.525 -1.46459 49.5253 15.1327 GPRESSAVG: 4958400 -14.1121 -21.0107 -2.09885 -22.7996 38.2851 48.8065 -3.24405 50.0043 15.1652 TIMING: 4958400 CPU: 14411.8, 0.00292223/step Wall: 14411.8, 0.00292223/step, 0.033768 hours remaining, 205.562500 MB of memory in use. ENERGY: 4958400 696.4346 2103.5546 1962.4600 110.5671 -206505.0025 18014.4849 0.0000 0.0000 34087.2127 -149530.2885 297.6921 -183617.5012 -149438.1261 298.4699 120.2945 150.7194 557740.7102 13.2581 13.1127 PRESSURE: 4958600 313.435 -154.664 110.551 -154.664 -45.5963 124.974 110.551 124.972 267.104 GPRESSURE: 4958600 318.368 -129.816 42.3134 -146.335 -16.6145 124.976 96.2963 113.001 314.502 PRESSAVG: 4958600 89.3321 -66.5153 19.5145 -66.5152 -38.9377 23.0912 19.5144 23.0912 -12.9313 GPRESSAVG: 4958600 88.995 -64.3047 19.5829 -67.6963 -39.2846 22.6686 22.9588 22.3429 -12.6433 TIMING: 4958600 CPU: 14412.3, 0.0029249/step Wall: 14412.3, 0.0029249/step, 0.0336363 hours remaining, 205.562500 MB of memory in use. ENERGY: 4958600 719.1485 2070.2185 1936.1329 110.4712 -206751.1831 18148.5634 0.0000 0.0000 34169.9308 -149596.7179 298.4145 -183766.6486 -149500.5318 297.9409 178.3141 205.4185 556525.1143 12.4877 12.3557 PRESSURE: 4958800 -140.744 -199.695 136.897 -199.695 67.6585 2.80207 136.898 2.80251 263.336 GPRESSURE: 4958800 -55.9489 -166.053 123.53 -261.899 59.4155 -49.7066 134.324 5.71208 272.412 PRESSAVG: 4958800 -7.73456 -66.0412 -15.0656 -66.0413 -23.3033 23.1437 -15.0656 23.1438 -1.05021 GPRESSAVG: 4958800 -7.46777 -67.8572 -13.2005 -64.8382 -24.3481 25.8239 -17.3191 20.2079 -0.400044 TIMING: 4958800 CPU: 14412.9, 0.00294092/step Wall: 14412.9, 0.00294092/step, 0.0336572 hours remaining, 205.562500 MB of memory in use. ENERGY: 4958800 731.7562 2035.0991 1919.5110 114.1067 -206281.0837 17819.9028 0.0000 0.0000 34025.4412 -149635.2666 297.1526 -183660.7078 -149550.3137 298.1334 63.4169 91.9594 555970.6906 -10.6960 -10.7386 PRESSURE: 4959000 91.3213 32.7816 232.072 32.7817 50.2144 25.322 232.072 25.3228 303.156 GPRESSURE: 4959000 119.633 114.538 237.189 -24.5218 83.4408 31.3147 230.248 23.6331 344.094 PRESSAVG: 4959000 42.4207 -9.76136 43 -9.76127 -12.5793 15.6533 43 15.6532 -2.1469 GPRESSAVG: 4959000 41.3957 -9.88442 42.5162 -8.6213 -12.1843 14.4761 44.9226 19.798 -0.977094 TIMING: 4959000 CPU: 14413.5, 0.00295011/step Wall: 14413.5, 0.00295011/step, 0.0335985 hours remaining, 205.562500 MB of memory in use. ENERGY: 4959000 769.0314 2130.1986 1954.8913 112.8516 -206788.7747 18170.6033 0.0000 0.0000 33904.3598 -149746.8388 296.0952 -183651.1985 -149655.0430 298.0503 148.2305 182.3893 556600.8106 9.2315 9.4114 PRESSURE: 4959200 -58.2367 -72.9867 181.781 -72.9853 -15.1508 -76.95 181.781 -76.9499 81.616 GPRESSURE: 4959200 16.7613 -106.521 213.94 -9.95081 -43.1555 -58.4959 145.134 -109.869 127.488 PRESSAVG: 4959200 47.3477 26.4552 25.5004 26.4551 5.07868 -70.5341 25.5005 -70.534 -67.2609 GPRESSAVG: 4959200 47.8952 28.4564 23.7895 25.5616 6.33611 -71.9013 24.6692 -71.2509 -68.3774 TIMING: 4959200 CPU: 14414.1, 0.00290366/step Wall: 14414.1, 0.00290366/step, 0.0329081 hours remaining, 205.562500 MB of memory in use. ENERGY: 4959200 744.9895 2031.1317 1973.1733 113.6592 -206441.9121 17765.6942 0.0000 0.0000 34167.8834 -149645.3808 298.3966 -183813.2642 -149540.1830 298.1626 2.7428 33.6978 556806.4267 -4.9448 -4.7153 PRESSURE: 4959400 -41.1859 -162.948 131.084 -162.948 -110.333 63.557 131.084 63.5578 59.2856 GPRESSURE: 4959400 -13.9489 -152.333 116.214 -167.573 -60.7377 38.3684 179.118 5.8313 74.9324 PRESSAVG: 4959400 31.3694 -29.8986 28.8426 -29.8987 -55.4519 -2.43807 28.8427 -2.43789 22.9871 GPRESSAVG: 4959400 31.2933 -33.4711 29.4917 -30.5173 -55.5669 -2.39579 29.2468 -3.7248 23.32 TIMING: 4959400 CPU: 14414.7, 0.0029177/step Wall: 14414.7, 0.0029177/step, 0.0329052 hours remaining, 205.562500 MB of memory in use. ENERGY: 4959400 733.9118 2089.5111 1943.6149 117.4511 -206490.6921 18035.1113 0.0000 0.0000 33934.1300 -149636.9619 296.3552 -183571.0919 -149542.8073 298.6441 -30.7445 0.0819 558115.6667 -0.3651 -0.3179 PRESSURE: 4959600 -128.229 -106.908 13.063 -106.909 130.46 208.602 13.0612 208.602 9.55461 GPRESSURE: 4959600 -52.7617 -71.9395 -26.2969 -90.9088 131.959 215.918 72.0949 196.404 36.3844 PRESSAVG: 4959600 1.75796 -8.84187 -16.6135 -8.84196 55.3578 1.77567 -16.6136 1.77556 -47.8761 GPRESSAVG: 4959600 2.3135 -8.01311 -16.2023 -7.92804 55.5796 1.15015 -16.1595 3.44323 -48.3682 TIMING: 4959600 CPU: 14415.3, 0.00291396/step Wall: 14415.3, 0.00291396/step, 0.0327012 hours remaining, 205.562500 MB of memory in use. ENERGY: 4959600 719.6189 2116.8404 1964.8305 110.0861 -206370.3592 17814.0204 0.0000 0.0000 34147.1211 -149497.8417 298.2153 -183644.9628 -149404.6603 298.1289 3.9285 38.5273 555781.1535 3.0799 3.1750 PRESSURE: 4959800 -115.829 86.4502 -126.535 86.4512 431.221 -109.422 -126.535 -109.421 251.88 GPRESSURE: 4959800 -53.54 10.4871 -125.281 126.124 480.458 -214.69 -125.249 -88.6354 238.949 PRESSAVG: 4959800 -15.9898 -41.8181 6.24014 -41.818 17.8037 11.4685 6.24021 11.4685 23.9255 GPRESSAVG: 4959800 -16.1645 -39.7509 5.47395 -45.0751 17.302 13.5834 4.11477 11.2362 24.7498 TIMING: 4959800 CPU: 14415.8, 0.00290011/step Wall: 14415.8, 0.00290011/step, 0.0323846 hours remaining, 205.562500 MB of memory in use. ENERGY: 4959800 734.6507 2061.4690 1976.8415 121.2120 -206785.8456 18239.0690 0.0000 0.0000 34262.1566 -149390.4468 299.2199 -183652.6033 -149298.7027 299.0350 189.0906 221.9557 556122.4154 8.5798 8.6291 PRESSURE: 4960000 -184.87 -20.1436 1.93073 -20.1444 170.878 23.7303 1.93054 23.7309 -42.9327 GPRESSURE: 4960000 -139.29 4.29445 -5.80187 0.0119623 171.032 25.4576 18.8698 -4.51022 15.3348 PRESSAVG: 4960000 8.87644 4.87897 -58.5954 4.879 18.6147 20.9036 -58.5954 20.9036 -20.9242 GPRESSAVG: 4960000 8.2455 3.61587 -57.8132 6.6626 19.8503 21.019 -56.339 21.3746 -22.2447 TIMING: 4960000 CPU: 14416.4, 0.00290291/step Wall: 14416.4, 0.00290291/step, 0.0322545 hours remaining, 205.562500 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: 4960000 689.6325 2105.2637 1988.7290 104.0505 -206262.7718 17774.7797 0.0000 0.0000 34288.5349 -149311.7816 299.4503 -183600.3165 -149216.2965 299.4882 -18.9750 15.6920 557454.4598 2.1890 1.9504 PRESSURE: 4960200 19.1242 -30.8667 193.809 -30.8666 152.713 -17.4007 193.811 -17.4001 -78.6035 GPRESSURE: 4960200 76.4759 7.94435 134.869 -55.6035 160.73 -31.5543 238.695 -18.6103 -41.3312 PRESSAVG: 4960200 -15.0548 14.9253 30.9227 14.9253 53.1369 58.3008 30.9227 58.3007 -22.7674 GPRESSAVG: 4960200 -15.045 15.6461 31.0353 15.3419 52.794 57.7301 29.368 56.4403 -21.7237 TIMING: 4960200 CPU: 14417, 0.00291311/step Wall: 14417, 0.00291311/step, 0.032206 hours remaining, 205.562500 MB of memory in use. ENERGY: 4960200 751.7212 2063.5267 1975.4496 111.5320 -206687.6267 17997.3983 0.0000 0.0000 34364.2644 -149423.7345 300.1117 -183787.9989 -149332.0994 299.4501 31.0780 65.2915 558338.8842 5.1049 5.3418 LDB: ============= START OF LOAD BALANCING ============== 14420.5 LDB: ============== END OF LOAD BALANCING =============== 14420.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14420.5 LDB: ============= START OF LOAD BALANCING ============== 14420.8 LDB: Largest compute 4848 load 0.029510 is 25.0% of average load 0.117832 LDB: Average compute 0.001724 is 1.5% of average load 0.117832 LDB: TIME 14420.8 LOAD: AVG 0.117832 MAX 0.193353 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 14420.8 LOAD: AVG 0.117832 MAX 0.193353 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: TIME 14420.8 LOAD: AVG 0.117832 MAX 0.193353 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.496 MB LDB: ============== END OF LOAD BALANCING =============== 14420.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14420.8 PRESSURE: 4960400 -52.7193 -91.5978 -205.705 -91.5984 279.58 -76.3897 -205.706 -76.3896 -61.8812 GPRESSURE: 4960400 -28.433 -158.496 -246.859 -31.2373 318.018 3.63788 -153.721 -140.643 -27.1574 PRESSAVG: 4960400 8.02721 19.7037 -3.89478 19.7037 48.3218 -79.8136 -3.89469 -79.8136 -18.2409 GPRESSAVG: 4960400 7.95844 20.1054 -6.32016 20.1159 48.6112 -78.6869 -0.760533 -78.4973 -18.5117 TIMING: 4960400 CPU: 14417.6, 0.0029688/step Wall: 14417.6, 0.0029688/step, 0.0326568 hours remaining, 208.125000 MB of memory in use. ENERGY: 4960400 766.0280 2069.9777 1971.4635 102.4442 -206706.4991 18066.4511 0.0000 0.0000 34190.3081 -149539.8266 298.5925 -183730.1347 -149440.2815 298.9012 54.9932 87.4759 557639.4736 12.7027 12.6860 PRESSURE: 4960600 -10.0091 136.94 -123.981 136.941 112.292 29.0706 -123.982 29.0707 84.3971 GPRESSURE: 4960600 -49.3405 86.5404 -233.688 212.785 138.228 1.79677 -65.3509 58.9291 196.323 PRESSAVG: 4960600 -20.2435 13.9222 -30.0309 13.9222 -1.92981 -24.8408 -30.031 -24.8408 19.1976 GPRESSAVG: 4960600 -20.1534 12.5047 -28.6436 14.598 -3.21004 -24.7235 -32.0449 -26.7128 19.4026 TIMING: 4960600 CPU: 14418.2, 0.00290576/step Wall: 14418.2, 0.00290576/step, 0.0318019 hours remaining, 208.367188 MB of memory in use. ENERGY: 4960600 741.6519 2053.6740 1964.7288 112.2183 -206809.1022 17892.7015 0.0000 0.0000 34357.8494 -149686.2782 300.0556 -184044.1276 -149587.3151 298.1752 62.2267 95.0703 556079.1319 -0.9919 -1.3203 PRESSURE: 4960800 -89.7714 164.636 79.9624 164.637 33.7939 -70.6295 79.9632 -70.6292 104.708 GPRESSURE: 4960800 -52.7184 122.568 101.166 148.195 66.3845 -51.0914 54.1632 0.213136 136.428 PRESSAVG: 4960800 -59.5009 9.13886 -23.9102 9.13881 16.0522 13.9228 -23.9103 13.9228 9.73703 GPRESSAVG: 4960800 -59.3307 7.70429 -24.0985 10.3809 16.8771 13.069 -22.4602 16.1775 8.79871 TIMING: 4960800 CPU: 14418.8, 0.00293782/step Wall: 14418.8, 0.00293782/step, 0.0319896 hours remaining, 208.367188 MB of memory in use. ENERGY: 4960800 686.2458 2050.2109 1939.1816 120.2567 -206646.5578 17891.7500 0.0000 0.0000 34269.7596 -149689.1533 299.2863 -183958.9129 -149594.1068 297.6575 16.2435 50.0313 557867.2034 -11.2372 -11.2183 PRESSURE: 4961000 -62.5517 -113.652 -22.6413 -113.653 -90.0201 133.937 -22.6413 133.936 -156.618 GPRESSURE: 4961000 19.1234 -43.89 -96.861 -88.3465 -87.0431 142.354 25.6545 169.766 -138.935 PRESSAVG: 4961000 -33.255 33.0809 22.9196 33.0808 10.27 18.3446 22.9196 18.3446 1.32142 GPRESSAVG: 4961000 -33.1809 36.254 22.5134 30.1986 10.1969 18.8786 21.7625 19.0795 1.68174 TIMING: 4961000 CPU: 14419.4, 0.00294075/step Wall: 14419.4, 0.00294075/step, 0.0318582 hours remaining, 208.367188 MB of memory in use. ENERGY: 4961000 773.4204 2071.2746 1977.6329 118.2087 -206106.5303 17728.2931 0.0000 0.0000 33878.5967 -149559.1039 295.8702 -183437.7006 -149461.8689 297.7883 -103.0632 -68.9514 559609.6948 -7.2212 -7.1007 PRESSURE: 4961200 -55.3385 -136.975 -42.3856 -136.974 107.978 169.66 -42.385 169.661 57.4257 GPRESSURE: 4961200 33.966 -73.2352 -57.6193 -168.214 118.24 107.535 -111.11 191.245 48.0218 PRESSAVG: 4961200 -26.2765 11.5739 8.78631 11.574 27.6753 59.4714 8.78624 59.4713 59.3819 GPRESSAVG: 4961200 -26.0023 10.4574 9.6805 12.9451 27.0111 58.9194 8.49855 57.9055 60.0738 TIMING: 4961200 CPU: 14420, 0.00296484/step Wall: 14420, 0.00296484/step, 0.0319544 hours remaining, 208.367188 MB of memory in use. ENERGY: 4961200 744.2226 2029.7014 1936.5258 105.2765 -206080.2928 17863.7691 0.0000 0.0000 33995.6906 -149405.1066 296.8928 -183400.7973 -149310.8776 298.2390 36.6884 66.7427 559182.8012 20.2602 20.3609 PRESSURE: 4961400 -178.588 -18.5841 18.6278 -18.5847 -170.016 153.706 18.6284 153.706 -106.604 GPRESSURE: 4961400 -112.068 -64.0343 15.8751 7.29797 -154.41 43.6158 -39.5077 161.864 -93.067 PRESSAVG: 4961400 -45.7561 -4.80949 62.3555 -4.80958 32.1679 46.3989 62.3555 46.3988 16.3208 GPRESSAVG: 4961400 -45.8338 -4.85341 63.1754 -5.98226 31.1986 42.7925 62.5183 47.9749 17.2344 TIMING: 4961400 CPU: 14420.5, 0.00294497/step Wall: 14420.5, 0.00294497/step, 0.0315766 hours remaining, 208.367188 MB of memory in use. ENERGY: 4961400 781.1782 2094.7305 1969.8924 104.8422 -206132.0671 17618.1494 0.0000 0.0000 34190.6380 -149372.6364 298.5953 -183563.2744 -149272.8115 298.6693 -151.7357 -119.8484 557214.0583 0.9109 0.8664 PRESSURE: 4961600 30.8891 24.6476 98.3274 24.6475 351.901 54.3438 98.3264 54.3439 84.7414 GPRESSURE: 4961600 134.044 -69.0809 33.1676 75.4094 346.75 188.206 117.691 45.1416 87.3294 PRESSAVG: 4961600 58.6095 -15.5553 31.6364 -15.5553 17.308 2.503 31.6364 2.50288 -48.4937 GPRESSAVG: 4961600 57.8352 -14.0409 31.1938 -14.7122 18.5113 5.21103 31.5408 2.67724 -48.9191 TIMING: 4961600 CPU: 14421.1, 0.0029166/step Wall: 14421.1, 0.0029166/step, 0.0311104 hours remaining, 208.367188 MB of memory in use. ENERGY: 4961600 754.5347 2041.2803 1956.1590 110.8395 -206279.0318 17996.9988 0.0000 0.0000 34051.4140 -149367.8056 297.3795 -183419.2196 -149273.6944 298.4324 155.8440 189.3747 557345.1993 9.1412 9.1424 PRESSURE: 4961800 -79.9568 28.718 -88.7562 28.7175 26.9517 63.7444 -88.7563 63.7429 -20.4377 GPRESSURE: 4961800 -54.3979 60.9347 -59.8673 15.4817 36.6839 53.8619 -58.848 52.5713 28.7168 PRESSAVG: 4961800 21.4292 -8.38514 31.4839 -8.38521 70.7946 2.10134 31.484 2.10125 -53.5866 GPRESSAVG: 4961800 21.9356 -11.4184 29.9991 -8.85676 70.7376 2.31767 33.4895 2.20062 -53.7261 TIMING: 4961800 CPU: 14421.7, 0.00291343/step Wall: 14421.7, 0.00291343/step, 0.0309148 hours remaining, 208.367188 MB of memory in use. ENERGY: 4961800 808.5690 2104.9166 1953.8384 103.8850 -206661.6942 17936.1833 0.0000 0.0000 34271.5615 -149482.7405 299.3021 -183754.3021 -149390.1606 298.7448 -24.4809 3.6676 555620.2932 12.8791 12.9824 PRESSURE: 4962000 43.7936 37.6868 -144.935 37.6882 -91.5333 -144.227 -144.935 -144.228 205.887 GPRESSURE: 4962000 68.8705 -30.8566 -16.1661 4.30057 -46.115 -209.526 -174.198 -84.3794 235.443 PRESSAVG: 4962000 62.9494 36.6245 55.428 36.6245 -17.208 25.4663 55.428 25.4664 -10.3517 GPRESSAVG: 4962000 62.4652 36.503 58.0201 37.8208 -16.81 23.952 53.2377 24.6099 -10.1698 TIMING: 4962000 CPU: 14422.3, 0.00288771/step Wall: 14422.3, 0.00288771/step, 0.0304814 hours remaining, 208.367188 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: 4962000 743.4574 2067.0662 1960.0855 101.7034 -206550.0827 17923.4839 0.0000 0.0000 34267.0582 -149487.2282 299.2627 -183754.2863 -149390.4575 298.9033 52.7159 86.0662 556963.8577 11.7966 11.8285 PRESSURE: 4962200 38.2456 -185.843 -28.7697 -185.844 13.9297 -30.1464 -28.77 -30.1452 187.578 GPRESSURE: 4962200 24.0726 -74.3533 -13.583 -186.35 88.1549 -44.2071 -94.5189 -92.91 229.902 PRESSAVG: 4962200 2.95314 -48.0468 13.9692 -48.0467 -22.5679 -23.1728 13.9691 -23.1726 -19.2872 GPRESSAVG: 4962200 3.73542 -44.7509 12.5642 -50.1234 -21.8345 -21.0433 16.7657 -23.3211 -20.0325 TIMING: 4962200 CPU: 14422.9, 0.00291566/step Wall: 14422.9, 0.00291566/step, 0.0306144 hours remaining, 208.367188 MB of memory in use. ENERGY: 4962200 725.2816 2050.6309 1965.6941 102.3768 -206755.7055 18001.9335 0.0000 0.0000 34362.9151 -149546.8735 300.0999 -183909.7886 -149444.8217 298.8258 79.9178 114.0431 556394.6123 -12.9673 -12.7105 PRESSURE: 4962400 -17.8809 -37.0042 14.9749 -37.0032 -233.418 -76.1215 14.9751 -76.1225 -393.644 GPRESSURE: 4962400 0.657158 -34.3766 25.016 -55.6057 -189.292 -29.0255 1.4131 -96.1569 -360.995 PRESSAVG: 4962400 29.5136 17.8012 12.8407 17.8012 0.903752 -82.2362 12.8406 -82.2362 -19.9887 GPRESSAVG: 4962400 29.2235 16.9442 13.5653 17.7588 0.746588 -81.9493 9.74096 -82.0484 -19.0701 TIMING: 4962400 CPU: 14423.5, 0.00292372/step Wall: 14423.5, 0.00292372/step, 0.0305367 hours remaining, 208.367188 MB of memory in use. ENERGY: 4962400 720.9228 2109.9944 1944.4174 107.2442 -206075.0309 17601.8271 0.0000 0.0000 34127.4238 -149463.2012 298.0433 -183590.6250 -149372.6643 299.4430 -214.9810 -183.2099 556547.2295 3.4762 3.6333 PRESSURE: 4962600 -241.679 13.8453 104.924 13.8459 29.0115 44.3985 104.924 44.3981 -343.036 GPRESSURE: 4962600 -238.848 119.858 11.856 -12.9932 40.9795 -11.5887 154.384 39.0402 -261.807 PRESSAVG: 4962600 19.2787 23.453 67.6733 23.453 32.0203 -77.9292 67.6733 -77.9292 -79.7718 GPRESSAVG: 4962600 19.0728 22.6233 65.2697 25.0271 30.3746 -76.605 71.3528 -78.9038 -78.3447 TIMING: 4962600 CPU: 14424, 0.00292474/step Wall: 14424, 0.00292474/step, 0.0303848 hours remaining, 208.367188 MB of memory in use. ENERGY: 4962600 777.8778 2091.4665 1962.6494 122.8968 -206179.5831 17592.4756 0.0000 0.0000 34217.9159 -149414.3011 298.8336 -183632.2171 -149310.3588 298.6930 -185.2346 -153.2251 556747.0573 -9.4909 -9.6324 PRESSURE: 4962800 -52.5499 54.9835 4.87377 54.9827 9.98002 -4.83785 4.87261 -4.8391 33.947 GPRESSURE: 4962800 43.5354 118.444 0.972192 -2.82826 11.855 59.887 -55.8987 -63.4588 28.1197 PRESSAVG: 4962800 -67.3586 56.2245 25.8063 56.2246 -6.49068 -42.8738 25.8062 -42.8738 52.924 GPRESSAVG: 4962800 -66.8309 56.6819 28.2415 54.8907 -6.18826 -42.8874 25.0771 -43.2279 51.6651 TIMING: 4962800 CPU: 14424.6, 0.00292317/step Wall: 14424.6, 0.00292317/step, 0.0302061 hours remaining, 208.367188 MB of memory in use. ENERGY: 4962800 784.8271 2095.6895 1954.8977 123.0988 -206248.9063 17823.5792 0.0000 0.0000 34296.3592 -149170.4547 299.5186 -183466.8139 -149073.8675 299.2944 -2.8743 27.8367 557931.1258 -6.9751 -7.1180 PRESSURE: 4963000 -110.798 28.0888 65.3164 28.0887 -8.22672 -132.408 65.3156 -132.41 -76.8207 GPRESSURE: 4963000 -108.644 -74.0902 62.0779 121.049 19.43 -125.1 -9.71073 -88.2877 -6.098 PRESSAVG: 4963000 -37.3791 -49.1243 11.8491 -49.1244 -0.98698 -42.2069 11.849 -42.2069 30.3874 GPRESSAVG: 4963000 -38.2831 -48.0653 10.4612 -49.2972 -0.718634 -43.6676 13.4379 -42.2275 31.3876 TIMING: 4963000 CPU: 14425.2, 0.00292499/step Wall: 14425.2, 0.00292499/step, 0.0300624 hours remaining, 208.367188 MB of memory in use. ENERGY: 4963000 762.7337 2116.4645 1946.6998 120.3963 -206135.4802 17641.3770 0.0000 0.0000 34526.5759 -149021.2329 301.5292 -183547.8088 -148917.7662 299.8087 -65.2819 -31.7708 557525.0702 -2.6596 -2.5381 PRESSURE: 4963200 -44.3458 -5.42079 154.678 -5.42093 99.2717 -4.37049 154.678 -4.36984 -120.24 GPRESSURE: 4963200 21.141 21.1469 97.4351 57.7649 97.7838 8.84115 238.117 122.888 -69.9415 PRESSAVG: 4963200 -42.3232 -52.3159 -31.6107 -52.3158 87.6952 -54.9012 -31.6107 -54.9011 -70.9004 GPRESSAVG: 4963200 -42.1646 -51.3849 -28.3347 -51.5637 87.7178 -56.9861 -34.6655 -51.7861 -70.3846 TIMING: 4963200 CPU: 14425.8, 0.00292116/step Wall: 14425.8, 0.00292116/step, 0.0298607 hours remaining, 208.367188 MB of memory in use. ENERGY: 4963200 735.0266 2073.7441 1961.0111 107.8126 -206100.7012 17811.4580 0.0000 0.0000 34228.4296 -149183.2194 298.9254 -183411.6489 -149082.1337 299.0470 -21.7713 16.3277 558570.9957 -8.5094 -8.2772 PRESSURE: 4963400 59.1351 74.4194 53.3129 74.4195 -140.271 -129.493 53.3128 -129.492 21.5659 GPRESSURE: 4963400 109.984 54.9295 -17.156 87.8559 -119.101 -143.163 78.9546 -90.0496 30.3695 PRESSAVG: 4963400 34.5598 -29.6093 -20.0561 -29.6093 -20.219 16.4156 -20.0561 16.4157 27.506 GPRESSAVG: 4963400 35.3151 -31.0268 -21.9553 -29.1837 -20.2397 16.705 -19.8213 13.7999 25.9101 TIMING: 4963400 CPU: 14426.4, 0.0029439/step Wall: 14426.4, 0.0029439/step, 0.0299296 hours remaining, 208.367188 MB of memory in use. ENERGY: 4963400 759.5210 2062.3605 1944.6955 115.5940 -206104.5777 17787.0653 0.0000 0.0000 34135.9026 -149299.4388 298.1173 -183435.3414 -149209.1437 298.9928 -19.8566 7.0840 558776.9889 13.9490 13.6619 PRESSURE: 4963600 60.5234 -63.7569 -21.992 -63.7578 226.046 -3.8276 -21.9913 -3.82849 74.0017 GPRESSURE: 4963600 48.3014 -34.6368 18.9356 -121.606 302.579 48.2455 -110.715 -72.3685 105.029 PRESSAVG: 4963600 -20.5442 -6.08677 -17.7243 -6.0868 33.0145 19.3101 -17.7243 19.3101 -49.8116 GPRESSAVG: 4963600 -21.2168 -5.16664 -17.6763 -7.10405 34.0292 21.7559 -17.1706 20.0531 -50.1363 TIMING: 4963600 CPU: 14427, 0.00294282/step Wall: 14427, 0.00294282/step, 0.0297551 hours remaining, 208.425781 MB of memory in use. ENERGY: 4963600 744.8251 2092.9058 1930.0280 117.2632 -206580.9388 18039.1451 0.0000 0.0000 34257.2171 -149399.5545 299.1768 -183656.7717 -149298.4394 298.8588 120.1905 151.9699 557280.0640 -12.4471 -12.4413 PRESSURE: 4963800 -301.401 28.3699 123.323 28.3697 -196.601 -80.8687 123.324 -80.872 -209.19 GPRESSURE: 4963800 -282.877 18.4936 162.282 18.0166 -205.685 -50.4774 118.288 -99.8726 -112.228 PRESSAVG: 4963800 -68.4178 6.31158 -50.5486 6.31158 108.222 34.4205 -50.5486 34.4205 -31.4234 GPRESSAVG: 4963800 -67.9194 5.77234 -49.9044 6.87017 106.584 32.7613 -52.3323 34.1727 -30.1846 TIMING: 4963800 CPU: 14427.6, 0.0029162/step Wall: 14427.6, 0.0029162/step, 0.029324 hours remaining, 208.425781 MB of memory in use. ENERGY: 4963800 787.0174 2148.3367 1928.8315 99.4325 -206582.9271 17757.4154 0.0000 0.0000 34343.1506 -149518.7431 299.9273 -183861.8936 -149426.7163 299.0926 -235.7305 -200.2635 558972.9591 2.7937 2.8265 PRESSURE: 4964000 -82.875 130.795 38.2929 130.795 -79.2647 108.894 38.2928 108.894 -136.856 GPRESSURE: 4964000 -53.5345 53.8976 125.473 175.137 -15.6986 111.081 67.6403 124.441 -121.296 PRESSAVG: 4964000 27.1356 -4.8831 20.0988 -4.88315 13.5585 48.5791 20.0988 48.5791 -10.3113 GPRESSAVG: 4964000 27.1588 -4.78893 21.9079 -3.95575 13.9151 49.66 21.5817 48.7652 -11.2744 TIMING: 4964000 CPU: 14428.1, 0.00294246/step Wall: 14428.1, 0.00294246/step, 0.0294246 hours remaining, 208.425781 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: 4964000 771.3811 2154.8854 1972.4505 118.7833 -206708.7678 18006.1379 0.0000 0.0000 34269.2034 -149415.9261 299.2815 -183685.1295 -149317.5598 299.1168 -99.6653 -63.5096 559306.5832 10.1276 9.9332 PRESSURE: 4964200 10.9137 59.5118 54.1142 59.5122 -5.40367 -37.4804 54.1143 -37.4787 12.7249 GPRESSURE: 4964200 63.5823 36.3113 31.1465 99.8748 37.955 32.9945 11.6686 35.0453 19.0286 PRESSAVG: 4964200 28.2416 10.4275 19.0529 10.4275 -61.9167 -5.64459 19.0528 -5.64447 17.9811 GPRESSAVG: 4964200 27.3805 10.5572 18.4213 9.69443 -61.6762 -6.02962 17.3373 -5.87077 18.7766 TIMING: 4964200 CPU: 14428.7, 0.00293463/step Wall: 14428.7, 0.00293463/step, 0.0291833 hours remaining, 208.425781 MB of memory in use. ENERGY: 4964200 755.5054 2090.0573 1983.4644 127.4755 -206644.8337 17891.9146 0.0000 0.0000 34238.3502 -149558.0663 299.0120 -183796.4166 -149460.5820 299.1914 6.0783 40.1887 557213.1697 -5.2313 -5.1731 LDB: ============= START OF LOAD BALANCING ============== 14432.2 LDB: ============== END OF LOAD BALANCING =============== 14432.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14432.2 LDB: ============= START OF LOAD BALANCING ============== 14432.5 LDB: Largest compute 4848 load 0.028906 is 24.5% of average load 0.117867 LDB: Average compute 0.001730 is 1.5% of average load 0.117867 LDB: TIME 14432.5 LOAD: AVG 0.117867 MAX 0.193393 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 14432.5 LOAD: AVG 0.117867 MAX 0.193393 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: TIME 14432.5 LOAD: AVG 0.117867 MAX 0.193393 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: ============== END OF LOAD BALANCING =============== 14432.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14432.5 PRESSURE: 4964400 79.5023 -74.6882 10.7466 -74.6887 -231.97 31.0563 10.7463 31.0571 29.8937 GPRESSURE: 4964400 81.0415 -44.6811 47.6724 -92.7852 -216.207 15.7861 22.7529 -13.8337 112.588 PRESSAVG: 4964400 23.2089 -15.4368 0.586214 -15.4369 -20.4214 13.7918 0.586219 13.7919 41.2793 GPRESSAVG: 4964400 23.7986 -13.6473 -0.447141 -16.4053 -21.3131 14.7952 1.26147 13.4856 41.8336 TIMING: 4964400 CPU: 14429.3, 0.00299496/step Wall: 14429.3, 0.00299496/step, 0.0296168 hours remaining, 207.152344 MB of memory in use. ENERGY: 4964400 753.6548 2178.6600 1966.3953 121.4627 -206413.8727 17713.3134 0.0000 0.0000 34128.6488 -149551.7377 298.0540 -183680.3865 -149461.6024 298.3485 -40.8581 -7.5259 557657.4349 14.6889 14.7730 PRESSURE: 4964600 97.1467 -118.614 -81.9339 -118.614 -165.101 94.3701 -81.9332 94.371 -77.8847 GPRESSURE: 4964600 104.631 -89.511 -79.4399 -46.6157 -102.271 20.3996 -68.5768 108.671 -50.8552 PRESSAVG: 4964600 -44.9225 -15.2894 21.1081 -15.2893 -6.80342 26.9143 21.108 26.9143 44.4334 GPRESSAVG: 4964600 -45.0657 -18.0973 21.876 -15.2276 -5.45442 25.4412 20.8555 27.339 43.406 TIMING: 4964600 CPU: 14429.9, 0.00294688/step Wall: 14429.9, 0.00294688/step, 0.0289776 hours remaining, 207.222656 MB of memory in use. ENERGY: 4964600 782.6627 2151.3867 1966.9185 116.6620 -206786.1526 17942.7398 0.0000 0.0000 34140.6019 -149685.1811 298.1584 -183825.7829 -149592.2734 297.6981 -48.6131 -16.1651 558321.8916 -2.4308 -2.3714 PRESSURE: 4964800 309.429 89.5523 -63.1149 89.5525 -215.439 -68.1527 -63.1138 -68.1537 170.398 GPRESSURE: 4964800 290.989 126.741 -113.413 29.7498 -152.983 -76.0697 -102.873 -59.1944 218.41 PRESSAVG: 4964800 31.5594 -19.045 9.21946 -19.0451 -72.9323 9.40847 9.21946 9.40843 -0.821267 GPRESSAVG: 4964800 31.5993 -18.165 7.91449 -19.1111 -73.1323 10.42 12.3064 9.50024 -0.772565 TIMING: 4964800 CPU: 14430.5, 0.00292639/step Wall: 14430.5, 0.00292639/step, 0.0286136 hours remaining, 207.222656 MB of memory in use. ENERGY: 4964800 758.1459 2145.0653 1989.1505 114.2032 -206994.1339 18240.0743 0.0000 0.0000 34181.7468 -149565.7479 298.5177 -183747.4948 -149469.5259 298.0939 88.1293 118.8051 558629.9605 -14.0647 -14.1018 PRESSURE: 4965000 -189.944 41.7988 -74.029 41.7992 -124.901 -11.9084 -74.0294 -11.9088 -49.5332 GPRESSURE: 4965000 -133.615 119.233 -10.2047 28.6405 -82.6094 -32.3519 -87.0219 -32.0952 -55.5884 PRESSAVG: 4965000 14.266 7.66175 -20.247 7.66161 -63.3863 17.554 -20.247 17.554 12.0308 GPRESSAVG: 4965000 14.6046 7.28932 -19.712 9.01563 -63.9719 17.3779 -21.4843 17.0776 12.1142 TIMING: 4965000 CPU: 14431.1, 0.00293065/step Wall: 14431.1, 0.00293065/step, 0.0284924 hours remaining, 207.222656 MB of memory in use. ENERGY: 4965000 755.2496 2116.7609 1965.8922 110.7708 -206510.7635 17938.5369 0.0000 0.0000 34139.5141 -149484.0391 298.1489 -183623.5531 -149390.6044 298.4541 -121.4594 -90.6042 559552.7961 -12.3632 -12.4177 PRESSURE: 4965200 -8.22973 -80.224 129.528 -80.2231 19.2808 95.3183 129.528 95.3177 108.088 GPRESSURE: 4965200 12.2551 -137.54 173.163 18.1083 31.5727 41.0687 53.7061 105.328 166.482 PRESSAVG: 4965200 0.700698 -32.3775 20.886 -32.3774 -77.7481 -19.4984 20.8861 -19.4985 71.6467 GPRESSAVG: 4965200 1.67168 -32.6989 22.4677 -33.5935 -78.0373 -20.3471 18.6951 -18.6639 71.3623 TIMING: 4965200 CPU: 14431.7, 0.00293159/step Wall: 14431.7, 0.00293159/step, 0.0283387 hours remaining, 207.222656 MB of memory in use. ENERGY: 4965200 749.7855 2107.3748 1955.7374 109.0384 -206842.4814 18103.4964 0.0000 0.0000 34244.0867 -149572.9622 299.0621 -183817.0489 -149473.4201 298.0612 39.7132 70.1032 557157.3233 -1.8002 -1.6678 PRESSURE: 4965400 -18.4942 16.9631 189.201 16.9635 -33.3097 40.5122 189.2 40.5123 -113.192 GPRESSURE: 4965400 27.2403 -58.5371 225.268 24.5786 -11.8033 62.419 158.049 -1.8154 -77.4375 PRESSAVG: 4965400 37.5452 2.00471 62.6549 2.00475 -0.834116 10.0939 62.6548 10.0939 -74.147 GPRESSAVG: 4965400 36.2494 4.2786 61.8102 1.11217 0.069993 10.1681 63.3815 11.4336 -73.4333 TIMING: 4965400 CPU: 14432.3, 0.00291969/step Wall: 14432.3, 0.00291969/step, 0.0280615 hours remaining, 207.222656 MB of memory in use. ENERGY: 4965400 788.1275 2071.9224 1951.1783 107.1561 -206519.1814 17946.6997 0.0000 0.0000 34153.8734 -149500.2241 298.2743 -183654.0974 -149409.6003 297.8819 -54.9985 -20.6668 557624.1342 -12.4786 -12.3713 PRESSURE: 4965600 -60.8253 -65.7207 8.50076 -65.7201 -92.4895 -130.735 8.50098 -130.735 28.8925 GPRESSURE: 4965600 -138.91 -27.0015 -1.27242 -113.722 48.6759 -78.3533 1.00912 -186.901 66.5086 PRESSAVG: 4965600 -29.4844 26.617 -11.2551 26.6169 19.2281 -1.9792 -11.255 -1.97913 14.5111 GPRESSAVG: 4965600 -29.8092 24.5488 -10.2748 28.0044 19.9916 -1.81299 -10.693 -5.14275 13.552 TIMING: 4965600 CPU: 14432.8, 0.00294546/step Wall: 14432.8, 0.00294546/step, 0.0281455 hours remaining, 207.222656 MB of memory in use. ENERGY: 4965600 738.7096 2120.7048 1970.4796 115.7728 -206711.7719 17948.4407 0.0000 0.0000 34440.2812 -149377.3832 300.7755 -183817.6644 -149279.8242 299.1823 -41.4741 -7.9084 557337.4157 1.4183 1.2448 PRESSURE: 4965800 -236.928 -22.6415 -108.894 -22.6408 106.941 -152.313 -108.896 -152.312 -181.623 GPRESSURE: 4965800 -202.662 -2.7979 -44.7091 -147.867 141.181 -186.936 -96.8876 -118.915 -143.64 PRESSAVG: 4965800 -79.0132 -8.06982 -19.3275 -8.06983 50.5109 -39.8262 -19.3275 -39.8261 7.91661 GPRESSAVG: 4965800 -79.8784 -6.3917 -20.071 -7.8511 50.2241 -39.265 -20.2119 -39.6156 9.36332 TIMING: 4965800 CPU: 14433.4, 0.00296033/step Wall: 14433.4, 0.00296033/step, 0.0281232 hours remaining, 207.222656 MB of memory in use. ENERGY: 4965800 743.4873 2097.2110 1950.9937 106.5716 -206305.2443 17735.1748 0.0000 0.0000 34225.5674 -149446.2385 298.9004 -183671.8059 -149347.2038 299.5601 -103.8698 -68.3737 556446.4596 -6.8619 -6.7636 PRESSURE: 4966000 -207.462 -201.621 209.403 -201.622 -191.921 -18.1335 209.403 -18.1321 -388.573 GPRESSURE: 4966000 -210.316 -249.806 226.655 -143.388 -142.449 -65.9257 198.331 -58.6733 -346.144 PRESSAVG: 4966000 -43.8966 -26.1297 20.1813 -26.1298 12.3425 -21.8955 20.1813 -21.8954 29.9665 GPRESSAVG: 4966000 -42.9881 -27.6501 18.6177 -26.2642 12.3206 -21.9201 21.1888 -22.4842 28.4983 TIMING: 4966000 CPU: 14434, 0.00294853/step Wall: 14434, 0.00294853/step, 0.0278472 hours remaining, 207.425781 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: 4966000 726.9847 2116.8330 1960.9677 103.3051 -205869.7064 17323.9099 0.0000 0.0000 34040.4321 -149597.2739 297.2836 -183637.7061 -149501.4696 298.5806 -262.6519 -232.9697 556958.4604 -0.5292 -0.7231 PRESSURE: 4966200 40.3851 -11.6709 36.2742 -11.6701 -113.011 -68.4153 36.275 -68.4141 -56.3422 GPRESSURE: 4966200 137.253 -56.3583 33.4493 0.330061 -88.4045 18.1607 10.483 -108.802 -74.9401 PRESSAVG: 4966200 -5.70037 -37.8538 11.2331 -37.8538 9.20052 -17.455 11.2331 -17.4549 -1.79563 GPRESSAVG: 4966200 -5.27981 -37.07 11.3732 -39.3662 8.47 -16.6505 10.2378 -18.3309 -1.80757 TIMING: 4966200 CPU: 14434.6, 0.00296009/step Wall: 14434.6, 0.00296009/step, 0.0277919 hours remaining, 207.425781 MB of memory in use. ENERGY: 4966200 697.4388 2122.3784 1957.2785 113.3227 -206435.6288 17785.1764 0.0000 0.0000 34224.1306 -149535.9035 298.8878 -183760.0341 -149437.2375 298.4740 -42.9892 -8.6972 558365.2320 0.5682 0.4609 PRESSURE: 4966400 -62.106 15.4872 96.581 15.4874 -197.5 55.3228 96.5812 55.3233 89.2393 GPRESSURE: 4966400 -54.6919 27.3982 127.175 64.0916 -144.018 39.0256 118.123 31.0552 122.985 PRESSAVG: 4966400 -11.5043 -16.8136 3.1399 -16.8137 12.5819 56.9848 3.13984 56.9848 -9.51841 GPRESSAVG: 4966400 -12.089 -18.1827 3.49728 -15.2148 12.7733 55.237 3.93477 57.1155 -8.11088 TIMING: 4966400 CPU: 14435.2, 0.00294472/step Wall: 14435.2, 0.00294472/step, 0.0274841 hours remaining, 207.425781 MB of memory in use. ENERGY: 4966400 754.5308 2056.7030 1963.6409 120.2572 -206518.8883 17845.8581 0.0000 0.0000 34249.8450 -149528.0533 299.1124 -183777.8983 -149433.0998 298.2142 -56.7890 -25.2416 557442.1897 -2.8136 -2.4755 PRESSURE: 4966600 -94.5074 -25.0871 -39.3624 -25.0876 -53.9093 -9.84955 -39.3637 -9.84951 113.466 GPRESSURE: 4966600 -62.9575 5.80138 21.164 12.6374 17.7667 -18.8172 -64.9141 -31.3815 111.547 PRESSAVG: 4966600 -47.7947 -48.528 -1.13416 -48.528 -2.71275 -7.54913 -1.13422 -7.54909 21.421 GPRESSAVG: 4966600 -48.7625 -46.8137 1.21268 -48.7767 -1.99418 -5.51828 -2.33874 -8.03838 21.5356 TIMING: 4966600 CPU: 14435.8, 0.00292732/step Wall: 14435.8, 0.00292732/step, 0.0271591 hours remaining, 207.425781 MB of memory in use. ENERGY: 4966600 738.4656 2033.1006 1990.5779 118.3474 -206672.3187 17951.5371 0.0000 0.0000 34273.0105 -149567.2795 299.3147 -183840.2900 -149462.9541 298.2133 -11.6501 22.1188 557317.7121 -9.6955 -9.7404 PRESSURE: 4966800 -10.4098 214.836 -50.7607 214.837 315.03 -60.1994 -50.7604 -60.199 7.53331 GPRESSURE: 4966800 19.5053 237.861 -132.093 140.923 339.295 -42.2629 -38.0645 -47.381 66.6446 PRESSAVG: 4966800 -63.4507 39.4051 5.52555 39.4052 -5.8933 -20.4034 5.52556 -20.4035 64.9785 GPRESSAVG: 4966800 -61.9337 40.7871 4.14126 38.1684 -6.84024 -20.8593 7.04608 -17.2052 64.9296 TIMING: 4966800 CPU: 14436.4, 0.00293534/step Wall: 14436.4, 0.00293534/step, 0.0270703 hours remaining, 207.425781 MB of memory in use. ENERGY: 4966800 730.5923 2102.7940 1954.3977 105.0601 -206515.3385 18089.9217 0.0000 0.0000 34075.8946 -149456.6780 297.5933 -183532.5726 -149361.7807 298.2491 104.0511 141.8151 557607.4623 -1.4552 -1.2814 PRESSURE: 4967000 -12.6181 -13.2843 -52.3064 -13.2851 -134.339 21.2638 -52.3063 21.2636 -61.5798 GPRESSURE: 4967000 -3.80058 41.6277 -22 -73.5332 -97.3043 89.3514 -116.486 -29.5059 -5.46228 PRESSAVG: 4967000 -1.83399 -18.9283 13.6355 -18.9283 -22.4333 83.3414 13.6354 83.3413 -6.32122 GPRESSAVG: 4967000 -1.30586 -18.4898 13.9678 -20.5477 -23.0613 83.2036 13.8156 80.5585 -6.78612 TIMING: 4967000 CPU: 14437, 0.00292295/step Wall: 14437, 0.00292294/step, 0.0267937 hours remaining, 207.425781 MB of memory in use. ENERGY: 4967000 746.1595 2088.6635 1955.0765 118.2272 -206241.0476 17641.8842 0.0000 0.0000 34216.9925 -149474.0441 298.8255 -183691.0366 -149376.8799 298.3670 -69.5123 -35.5224 555819.3220 -10.1962 -10.3844 PRESSURE: 4967200 -231.861 34.8996 219.811 34.9008 -228.254 119.065 219.811 119.066 64.4526 GPRESSURE: 4967200 -171.556 73.8646 184.989 11.6192 -191.657 118.88 205.552 73.6554 65.1293 PRESSAVG: 4967200 -52.3228 41.0519 3.1294 41.052 -30.6173 49.4054 3.12943 49.4054 94.692 GPRESSAVG: 4967200 -54.0496 40.1023 2.58009 41.2233 -28.7174 49.3097 3.73192 50.92 94.908 TIMING: 4967200 CPU: 14437.5, 0.00291075/step Wall: 14437.5, 0.00291075/step, 0.0265202 hours remaining, 207.425781 MB of memory in use. ENERGY: 4967200 738.2987 2150.7417 1952.7296 101.4715 -206072.6385 17492.4634 0.0000 0.0000 34191.8987 -149445.0349 298.6064 -183636.9336 -149345.7352 298.2202 -131.8875 -99.3613 556831.9964 3.9173 4.0470 PRESSURE: 4967400 274.498 -25.601 -55.7069 -25.5996 -162.263 45.2831 -55.7071 45.2808 98.971 GPRESSURE: 4967400 254.038 34.9833 -67.3863 56.8186 -143.545 83.3016 -88.9695 -3.72946 198.128 PRESSAVG: 4967400 7.31881 15.898 18.9501 15.8979 -27.2012 20.9449 18.95 20.9449 16.5577 GPRESSAVG: 4967400 8.87658 14.6556 19.2457 17.9363 -29.1975 20.3122 17.3464 19.2099 16.2167 TIMING: 4967400 CPU: 14438.1, 0.00291897/step Wall: 14438.1, 0.00291897/step, 0.0264329 hours remaining, 207.425781 MB of memory in use. ENERGY: 4967400 789.3939 2056.1274 1956.1065 100.5324 -206426.6117 17913.2565 0.0000 0.0000 34191.9246 -149419.2706 298.6066 -183611.1951 -149334.2980 297.9434 70.4021 102.8737 555217.7867 -1.1082 -1.3681 PRESSURE: 4967600 79.1793 -28.2584 -39.1523 -28.2586 224.59 190.25 -39.1514 190.251 -206.062 GPRESSURE: 4967600 122.693 -37.2662 -81.6041 -41.0779 218.828 121.235 -0.64219 193.687 -141.028 PRESSAVG: 4967600 57.2259 -34.2468 -12.8804 -34.2468 -25.2291 42.3156 -12.8803 42.3156 -13.973 GPRESSAVG: 4967600 57.3118 -34.3515 -10.3257 -35.6137 -24.8867 44.7773 -14.1668 42.6726 -14.2983 TIMING: 4967600 CPU: 14438.7, 0.00292691/step Wall: 14438.7, 0.00292691/step, 0.0263422 hours remaining, 207.628906 MB of memory in use. ENERGY: 4967600 742.7659 2099.6431 1932.7136 98.9446 -206241.4443 17705.2441 0.0000 0.0000 34232.0173 -149430.1159 298.9567 -183662.1332 -149344.8945 299.0797 32.5690 66.8310 555942.8848 6.0079 6.0423 PRESSURE: 4967800 113.881 -14.323 -2.09221 -14.3245 21.5534 101.352 -2.0918 101.353 -230.103 GPRESSURE: 4967800 132.981 -52.2226 41.3849 -86.5523 63.1272 152.264 2.60951 121.56 -190.096 PRESSAVG: 4967800 23.4895 -60.2913 36.2662 -60.2912 4.79094 -11.552 36.2662 -11.552 -25.1835 GPRESSAVG: 4967800 23.5523 -59.867 34.4502 -60.23 3.86621 -13.2998 38.9985 -10.29 -24.7369 TIMING: 4967800 CPU: 14439.3, 0.00295153/step Wall: 14439.3, 0.00295153/step, 0.0263998 hours remaining, 207.628906 MB of memory in use. ENERGY: 4967800 720.5813 2116.4878 1980.6063 115.8454 -206503.0701 17794.7945 0.0000 0.0000 34157.7241 -149617.0306 298.3079 -183774.7548 -149515.8694 298.3016 -31.5563 2.0043 554762.4757 1.0323 0.8939 PRESSURE: 4968000 -32.9993 -14.2215 87.7864 -14.2219 25.8675 -121.689 87.7867 -121.69 -331.149 GPRESSURE: 4968000 -3.92749 -28.5326 76.4006 19.4637 52.9574 -35.6995 139.619 -117.461 -293.822 PRESSAVG: 4968000 -2.77265 -26.8417 29.9576 -26.8416 26.3117 12.2602 29.9575 12.2602 -2.7799 GPRESSAVG: 4968000 -4.43111 -28.5143 30.4795 -23.1588 28.0359 12.9118 28.7105 11.5851 -2.87318 TIMING: 4968000 CPU: 14439.9, 0.00292396/step Wall: 14439.9, 0.00292396/step, 0.0259908 hours remaining, 207.628906 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: 4968000 760.2124 2126.1147 1960.2947 113.1422 -206245.3856 17747.6197 0.0000 0.0000 34266.8238 -149271.1781 299.2607 -183538.0019 -149176.4302 298.6498 -112.7602 -81.5974 556522.6788 6.9197 6.9105 PRESSURE: 4968200 -90.4334 -0.668706 -93.6967 -0.66887 19.3864 -10.8085 -93.6975 -10.8089 -135.28 GPRESSURE: 4968200 -77.6067 -79.385 -61.4581 -28.1635 59.0362 -96.9596 -27.5745 15.5484 -91.1071 PRESSAVG: 4968200 32.7213 -35.0371 -36.485 -35.0371 7.68063 7.90406 -36.4849 7.90401 -31.1727 GPRESSAVG: 4968200 33.1078 -31.9448 -39.0657 -38.9624 7.23326 6.64044 -34.6181 7.4459 -31.2123 TIMING: 4968200 CPU: 14440.5, 0.00293097/step Wall: 14440.5, 0.00293097/step, 0.0258902 hours remaining, 207.628906 MB of memory in use. ENERGY: 4968200 765.6517 2087.6694 1944.2113 111.0435 -206124.3504 17764.6884 0.0000 0.0000 34213.7466 -149237.3394 298.7972 -183451.0859 -149145.2767 299.4750 -68.7758 -36.5592 557139.8806 3.0764 3.0429 LDB: ============= START OF LOAD BALANCING ============== 14443.9 LDB: ============== END OF LOAD BALANCING =============== 14443.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14443.9 LDB: ============= START OF LOAD BALANCING ============== 14444.2 LDB: Largest compute 4848 load 0.028586 is 24.3% of average load 0.117834 LDB: Average compute 0.001727 is 1.5% of average load 0.117834 LDB: TIME 14444.2 LOAD: AVG 0.117834 MAX 0.195611 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 14444.2 LOAD: AVG 0.117834 MAX 0.195611 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 14444.2 LOAD: AVG 0.117834 MAX 0.195611 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 14444.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14444.3 PRESSURE: 4968400 -128.201 95.8752 -65.8429 95.875 -115.884 -125.147 -65.8413 -125.147 -83.5219 GPRESSURE: 4968400 -78.1053 47.1573 -52.8395 130.35 -80.5113 -256.915 -58.6282 18.9484 -59.4575 PRESSAVG: 4968400 43.0912 -11.887 -6.53087 -11.887 -30.6613 -20.582 -6.53085 -20.5819 -12.3246 GPRESSAVG: 4968400 42.3101 -13.5167 -4.04705 -9.69485 -30.9462 -18.7843 -7.692 -19.7526 -11.1997 TIMING: 4968400 CPU: 14441.1, 0.00300687/step Wall: 14441.1, 0.00300687/step, 0.0263937 hours remaining, 206.843750 MB of memory in use. ENERGY: 4968400 764.9878 2079.3908 1941.0656 104.3167 -205954.3000 17777.0665 0.0000 0.0000 34209.7145 -149077.7581 298.7619 -183287.4726 -148978.5601 299.0743 -109.2022 -72.6914 559965.5654 0.0351 0.0547 PRESSURE: 4968600 -71.4506 -36.6719 39.7339 -36.6721 -36.6442 181.261 39.7342 181.26 119.501 GPRESSURE: 4968600 -15.637 11.4219 116.219 -58.5661 35.2742 164.314 -30.5865 71.1836 95.5483 PRESSAVG: 4968600 -24.4013 9.21534 -59.8469 9.21531 3.62915 38.4134 -59.8469 38.4134 -13.4605 GPRESSAVG: 4968600 -22.7176 10.7719 -60.2656 8.92336 4.27819 37.084 -60.3585 37.8441 -16.2846 TIMING: 4968600 CPU: 14441.7, 0.00295291/step Wall: 14441.7, 0.00295291/step, 0.0257559 hours remaining, 207.046875 MB of memory in use. ENERGY: 4968600 780.0743 2031.7781 1963.3451 114.1037 -206464.4468 17919.8532 0.0000 0.0000 34572.0743 -149083.2181 301.9265 -183655.2924 -148990.1339 299.5802 3.8020 38.3952 557685.6549 -11.4109 -11.5747 PRESSURE: 4968800 -111.843 49.4144 -55.3724 49.4139 -37.0807 -105.04 -55.3728 -105.039 277.182 GPRESSURE: 4968800 -127.196 3.19787 -44.782 2.65695 20.0603 4.28189 -19.735 -180.582 334.119 PRESSAVG: 4968800 -13.9864 38.3324 25.5662 38.3325 -31.3084 -82.6617 25.5662 -82.6617 35.7425 GPRESSAVG: 4968800 -14.5994 36.1051 25.6653 38.8174 -31.5487 -82.1395 25.1219 -82.3786 36.8153 TIMING: 4968800 CPU: 14442.3, 0.0029386/step Wall: 14442.3, 0.0029386/step, 0.0254679 hours remaining, 207.046875 MB of memory in use. ENERGY: 4968800 718.5071 2177.8175 1952.6807 118.5260 -205879.5832 17751.9278 0.0000 0.0000 34120.1973 -149039.9269 297.9802 -183160.1242 -148949.5830 299.2524 42.7527 75.6611 558806.2534 -3.1841 -3.1110 PRESSURE: 4969000 -171.893 2.99823 -31.6377 2.9971 196.109 70.9841 -31.6371 70.9843 -269.608 GPRESSURE: 4969000 -173.698 -89.4885 -21.4189 31.8681 246.298 22.3308 37.1392 128.534 -222.993 PRESSAVG: 4969000 73.9775 59.8016 -19.9074 59.8017 -34.8223 32.9825 -19.9075 32.9825 -14.5796 GPRESSAVG: 4969000 73.9818 62.7303 -21.9341 61.6493 -34.6642 33.1826 -18.2739 32.2583 -14.769 TIMING: 4969000 CPU: 14442.8, 0.0029263/step Wall: 14442.8, 0.0029263/step, 0.0251987 hours remaining, 207.046875 MB of memory in use. ENERGY: 4969000 707.0485 2024.9453 1932.0946 108.0736 -205644.3850 17595.5795 0.0000 0.0000 34351.3656 -148925.2777 299.9990 -183276.6434 -148829.5571 299.5858 -81.7977 -50.1311 559382.6724 8.1919 8.1829 PRESSURE: 4969200 249.31 131.806 -3.09965 131.805 -67.9739 336.689 -3.10084 336.689 238.776 GPRESSURE: 4969200 280.388 144.887 94.1004 154.797 -54.3783 415.783 -83.9791 258.724 283.704 PRESSAVG: 4969200 -23.6479 19.2816 -56.6723 19.2816 -2.0704 35.8873 -56.6722 35.8873 -17.0443 GPRESSAVG: 4969200 -23.9743 18.0867 -53.4722 16.3447 -2.07649 36.6599 -58.1751 35.1404 -16.2101 TIMING: 4969200 CPU: 14443.4, 0.00293778/step Wall: 14443.4, 0.00293778/step, 0.0251344 hours remaining, 207.046875 MB of memory in use. ENERGY: 4969200 686.3024 2089.2428 1996.7236 106.8394 -206264.2567 17932.4210 0.0000 0.0000 34380.4630 -149072.2645 300.2531 -183452.7275 -148981.2531 300.1360 140.0374 169.9048 556665.7841 -14.2542 -14.0870 PRESSURE: 4969400 -193.671 153.116 -45.8818 153.116 -183.13 -68.7323 -45.8813 -68.7331 -245.64 GPRESSURE: 4969400 -187.108 228.631 -16.6991 137.295 -95.9421 -82.0202 -30.2801 -34.5095 -231.789 PRESSAVG: 4969400 23.5477 22.1559 -26.4008 22.1559 -66.4902 -32.2891 -26.4008 -32.2894 29.0533 GPRESSAVG: 4969400 24.4821 22.4235 -28.15 23.3817 -66.5391 -33.8825 -25.5146 -32.0497 28.2294 TIMING: 4969400 CPU: 14444, 0.00293816/step Wall: 14444, 0.00293816/step, 0.0249744 hours remaining, 207.046875 MB of memory in use. ENERGY: 4969400 737.0742 2077.2401 1963.8458 111.3152 -205758.4168 17460.7877 0.0000 0.0000 34172.5688 -149235.5850 298.4375 -183408.1538 -149137.0673 299.8130 -207.4802 -171.6128 558188.8872 -4.6298 -4.6092 PRESSURE: 4969600 -111.436 211.274 -21.5472 211.275 -6.32858 -11.5594 -21.5469 -11.5582 330.607 GPRESSURE: 4969600 -53.7037 212.279 -6.68174 325.628 0.903664 -25.469 -110.186 -1.5247 364.773 PRESSAVG: 4969600 56.0411 48.8068 -24.5235 48.8068 42.1117 -22.2551 -24.5236 -22.255 -41.0662 GPRESSAVG: 4969600 55.9792 49.6325 -24.8015 48.0242 42.1959 -24.8704 -23.3039 -19.9021 -41.0624 TIMING: 4969600 CPU: 14444.6, 0.00294233/step Wall: 14444.6, 0.00294234/step, 0.0248464 hours remaining, 207.046875 MB of memory in use. ENERGY: 4969600 716.6867 2026.5242 1939.3884 113.8092 -206616.4727 18051.1733 0.0000 0.0000 34482.0327 -149286.8582 301.1402 -183768.8910 -149184.1379 299.1175 70.9474 103.9910 558534.9385 19.0289 19.0376 PRESSURE: 4969800 111.573 75.3659 65.2604 75.3654 230.114 144.041 65.26 144.038 124.606 GPRESSURE: 4969800 174.533 103.189 83.8221 52.9041 255.971 125.465 29.7657 70.2343 128.21 PRESSAVG: 4969800 12.6937 -11.0718 -64.8053 -11.0718 -20.5589 -77.4709 -64.8052 -77.4709 26.538 GPRESSAVG: 4969800 13.8529 -10.7828 -64.4079 -12.9314 -20.7602 -74.0511 -65.0625 -80.0826 25.556 TIMING: 4969800 CPU: 14445.2, 0.00294898/step Wall: 14445.2, 0.00294898/step, 0.0247387 hours remaining, 207.046875 MB of memory in use. ENERGY: 4969800 775.1969 2050.2892 1948.1317 113.9478 -206371.5071 18146.5731 0.0000 0.0000 34294.2123 -149043.1560 299.4999 -183337.3683 -148952.0379 299.4373 155.4312 186.2381 559468.9250 6.2243 6.2163 PRESSURE: 4970000 153.409 33.9861 35.3991 33.9849 83.4833 80.9012 35.3992 80.9008 -35.2043 GPRESSURE: 4970000 251.712 57.0221 26.9903 -55.0034 56.6631 98.1023 122.621 31.8513 -15.9937 PRESSAVG: 4970000 42.999 17.0413 -18.1657 17.0412 -15.563 -59.319 -18.1657 -59.319 -37.6284 GPRESSAVG: 4970000 41.3262 18.2997 -17.012 16.1833 -14.8851 -58.1914 -20.1655 -59.0395 -36.4033 TIMING: 4970000 CPU: 14445.8, 0.00297664/step Wall: 14445.8, 0.00297664/step, 0.0248053 hours remaining, 207.046875 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: 4970000 724.4345 2128.0833 1954.7861 109.9752 -205641.3674 17752.7015 0.0000 0.0000 34024.1445 -148947.2423 297.1413 -182971.3868 -148849.9320 299.1880 67.2293 97.4604 559643.5290 -3.3975 -3.3207 PRESSURE: 4970200 -94.7463 -8.88319 -118.91 -8.88315 281.96 -66.6235 -118.91 -66.6238 -65.6025 GPRESSURE: 4970200 -46.2498 -32.0918 -100.862 -0.432061 330.019 -178.624 -123.574 -19.6525 -62.3318 PRESSAVG: 4970200 -21.9512 -53.2974 -33.0902 -53.2974 61.3765 -22.1313 -33.0901 -22.1313 5.81312 GPRESSAVG: 4970200 -20.9798 -55.5962 -36.4545 -51.5707 61.255 -24.2279 -31.9489 -21.6359 5.43185 TIMING: 4970200 CPU: 14446.4, 0.00294178/step Wall: 14446.4, 0.00294178/step, 0.0243514 hours remaining, 207.046875 MB of memory in use. ENERGY: 4970200 740.3135 2098.4053 1962.9560 118.2079 -205691.4577 17757.4713 0.0000 0.0000 34235.4407 -148778.6630 298.9866 -183014.1038 -148681.8100 300.0625 40.5371 73.8123 559176.1273 15.0795 15.2357 PRESSURE: 4970400 -297.554 35.0246 -92.3204 35.024 238.047 -30.0808 -92.3207 -30.0814 -170.143 GPRESSURE: 4970400 -273.858 61.2542 -84.4491 -11.2983 272.873 -80.0281 -60.5676 -16.8954 -133.786 PRESSAVG: 4970400 -63.0559 -24.9995 18.7261 -24.9996 76.1462 -49.4027 18.7261 -49.4028 -31.0173 GPRESSAVG: 4970400 -63.2702 -24.2781 20.9486 -23.0263 76.1471 -46.508 18.3979 -51.2044 -31.0407 TIMING: 4970400 CPU: 14447, 0.00295772/step Wall: 14447, 0.00295772/step, 0.024319 hours remaining, 207.046875 MB of memory in use. ENERGY: 4970400 726.2156 2111.7862 1972.8875 102.3383 -205623.6221 17497.1644 0.0000 0.0000 34391.2531 -148821.9770 300.3474 -183213.2301 -148725.2151 300.0840 -76.5503 -44.9240 558328.4135 -5.9757 -6.0546 PRESSURE: 4970600 -77.2668 25.1571 8.27709 25.1565 -140.955 -69.2848 8.2777 -69.2863 -140.489 GPRESSURE: 4970600 17.488 163.636 -3.92206 -102.304 -149.272 22.5278 21.1331 -30.3326 -126.468 PRESSAVG: 4970600 16.4728 -49.9675 4.80367 -49.9675 19.0763 15.3323 4.80381 15.3323 23.043 GPRESSAVG: 4970600 17.9494 -49.7428 6.43932 -50.0106 17.2231 14.4949 5.51449 17.653 23.8027 TIMING: 4970600 CPU: 14447.6, 0.00294694/step Wall: 14447.6, 0.00294694/step, 0.0240667 hours remaining, 207.046875 MB of memory in use. ENERGY: 4970600 781.5177 2102.1386 1929.5949 117.0879 -206131.9815 17881.7570 0.0000 0.0000 34474.2543 -148845.6311 301.0722 -183319.8854 -148751.0484 300.4021 -119.5701 -86.0839 559224.5157 19.5307 19.6584 PRESSURE: 4970800 -84.7011 -1.37804 -38.2711 -1.37808 -147.414 24.0317 -38.2711 24.0314 -58.979 GPRESSURE: 4970800 -12.7697 -21.4279 -46.2231 -112.251 -151.896 19.131 -10.6989 -1.8983 -23.0122 PRESSAVG: 4970800 -43.0602 20.4483 -10.3768 20.4484 25.6397 -9.10555 -10.3768 -9.10556 19.8597 GPRESSAVG: 4970800 -44.1002 21.5648 -11.2369 17.9185 27.2595 -11.1289 -12.1918 -9.2912 19.6989 TIMING: 4970800 CPU: 14448.1, 0.00292972/step Wall: 14448.1, 0.00292972/step, 0.0237632 hours remaining, 207.046875 MB of memory in use. ENERGY: 4970800 728.3892 2138.7904 1946.9643 113.8853 -205608.9540 17618.6371 0.0000 0.0000 34345.6584 -148716.6292 299.9492 -183062.2876 -148625.3995 300.6282 -97.0314 -62.5594 560613.1487 0.8131 0.9527 PRESSURE: 4971000 96.686 -22.0237 185.475 -22.0244 6.90929 -36.1468 185.475 -36.1486 -91.5622 GPRESSURE: 4971000 121.881 -86.6044 84.0703 13.2822 42.0916 60.6177 209.36 -121.727 -48.3555 PRESSAVG: 4971000 -49.0966 -57.2592 29.12 -57.2592 54.701 11.4941 29.12 11.4942 5.23999 GPRESSAVG: 4971000 -48.6644 -58.8064 26.6734 -55.8829 54.2238 12.3175 31.115 10.5889 5.12243 TIMING: 4971000 CPU: 14448.7, 0.00294215/step Wall: 14448.7, 0.00294215/step, 0.0237006 hours remaining, 207.046875 MB of memory in use. ENERGY: 4971000 752.6517 2019.8607 1929.3746 104.9652 -205729.2387 17760.2659 0.0000 0.0000 34367.3827 -148794.7380 300.1389 -183162.1207 -148691.3982 300.0158 4.0110 38.5392 557643.0964 3.6148 3.5606 PRESSURE: 4971200 -11.8167 -92.801 -82.2954 -92.7996 -36.9292 -1.24264 -82.2955 -1.24282 -147.881 GPRESSURE: 4971200 87.4939 -128.114 -37.2075 -136.01 -31.2094 45.681 -99.2528 -18.5739 -154.984 PRESSAVG: 4971200 54.633 -75.4263 22.0708 -75.4263 -39.6025 -17.7083 22.0708 -17.7083 -17.2077 GPRESSAVG: 4971200 53.6618 -73.4306 24.3143 -75.2871 -38.7298 -16.5343 19.8398 -17.3046 -17.7248 TIMING: 4971200 CPU: 14449.3, 0.0029258/step Wall: 14449.3, 0.0029258/step, 0.0234064 hours remaining, 207.046875 MB of memory in use. ENERGY: 4971200 740.9274 2079.4751 1938.7265 108.6356 -205831.5573 17616.4859 0.0000 0.0000 34476.9092 -148870.3977 301.0954 -183347.3069 -148769.4360 299.9518 -65.5422 -32.8998 558217.2731 -0.7257 -0.9309 PRESSURE: 4971400 36.5501 -76.5592 -98.571 -76.5578 -11.3758 -17.5126 -98.5712 -17.5139 -127.65 GPRESSURE: 4971400 15.713 -14.9863 -34.0202 -53.2308 31.3448 42.5912 -102.04 -36.8819 -62.1789 PRESSAVG: 4971400 31.7876 -73.3797 -17 -73.3798 13.3402 0.366794 -16.9999 0.366834 -11.1026 GPRESSAVG: 4971400 31.7713 -74.9122 -17.584 -74.2268 12.9553 0.0856844 -13.9839 -0.277592 -10.7619 TIMING: 4971400 CPU: 14449.9, 0.0029399/step Wall: 14449.9, 0.0029399/step, 0.0233559 hours remaining, 207.046875 MB of memory in use. ENERGY: 4971400 734.6386 2059.7258 1946.9359 115.9908 -205733.8572 17476.8027 0.0000 0.0000 34299.2402 -149100.5232 299.5438 -183399.7634 -148996.6478 300.2636 -34.1585 -5.0404 557160.0531 11.3417 11.3216 PRESSURE: 4971600 -124.274 121.157 -107.587 121.156 -103.579 -10.1326 -107.588 -10.1333 18.5734 GPRESSURE: 4971600 -64.4246 117.447 -64.258 77.448 -35.649 -28.9745 -76.4531 64.3688 -9.39606 PRESSAVG: 4971600 -2.93598 1.91376 18.3055 1.91371 71.168 -21.1833 18.3055 -21.1833 -37.1179 GPRESSAVG: 4971600 -2.5374 2.16741 17.6828 3.85769 70.8139 -20.2928 17.3253 -20.7712 -37.2766 TIMING: 4971600 CPU: 14450.5, 0.00289725/step Wall: 14450.5, 0.00289725/step, 0.0228561 hours remaining, 207.046875 MB of memory in use. ENERGY: 4971600 768.5842 2102.9237 1951.3720 102.7730 -205952.7941 17801.0005 0.0000 0.0000 34191.6365 -149034.5041 298.6041 -183226.1406 -148937.6695 299.0341 -69.7598 -36.4899 557455.2009 10.3714 10.3333 PRESSURE: 4971800 -47.0919 4.53909 159.337 4.53967 -61.5165 65.8438 159.337 65.8434 -92.8831 GPRESSURE: 4971800 -32.9667 -11.4372 194.462 -8.73226 -10.8863 -97.7851 205.222 108.372 -71.5527 PRESSAVG: 4971800 5.91389 -11.8172 -13.6168 -11.8172 -62.2398 -34.1617 -13.6169 -34.1616 12.9072 GPRESSAVG: 4971800 5.57382 -12.6359 -13.6482 -13.4642 -62.0163 -35.6215 -14.6929 -32.3617 13.3546 TIMING: 4971800 CPU: 14451.1, 0.00294759/step Wall: 14451.1, 0.00294759/step, 0.0230895 hours remaining, 207.046875 MB of memory in use. ENERGY: 4971800 766.8915 2119.8550 1926.7989 100.1673 -206125.5538 17847.4430 0.0000 0.0000 34619.2488 -148745.1492 302.3385 -183364.3980 -148648.4371 299.8756 -67.1638 -38.4686 557257.5654 -14.4729 -14.3626 PRESSURE: 4972000 114.018 -187.72 -139.271 -187.721 -57.8593 -59.9641 -139.271 -59.9632 -147.969 GPRESSURE: 4972000 100.777 -159.185 -97.0974 -140.206 -25.2357 -45.7828 -80.2142 -62.3761 -72.3524 PRESSAVG: 4972000 -28.1058 -37.7506 11.8255 -37.7507 85.8782 11.1736 11.8255 11.1736 -47.3 GPRESSAVG: 4972000 -26.8514 -37.6521 11.1896 -36.6368 85.2209 9.79018 12.1229 11.0791 -48.0881 TIMING: 4972000 CPU: 14451.7, 0.00293318/step Wall: 14451.7, 0.00293318/step, 0.0228137 hours remaining, 207.046875 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: 4972000 719.1249 2137.9228 1938.0444 107.8796 -205768.5291 17662.4178 0.0000 0.0000 34587.8166 -148615.3231 302.0640 -183203.1397 -148527.0069 300.5960 -30.6036 1.0631 557701.2614 3.4908 3.4272 PRESSURE: 4972200 3.412 30.5247 -146.075 30.5261 100.945 33.4827 -146.073 33.4842 -0.821015 GPRESSURE: 4972200 -23.398 59.0519 -145.536 39.311 161.76 54.072 -150.237 -27.2359 52.3268 PRESSAVG: 4972200 28.2476 -62.0524 20.1432 -62.0523 -32.0067 42.4805 20.1432 42.4804 -48.1353 GPRESSAVG: 4972200 27.2842 -62.1138 20.0934 -61.4881 -31.4307 43.7754 21.1092 40.8387 -47.3557 TIMING: 4972200 CPU: 14452.2, 0.00292038/step Wall: 14452.2, 0.00292038/step, 0.0225518 hours remaining, 207.046875 MB of memory in use. ENERGY: 4972200 763.7044 2147.9226 1951.9274 112.0661 -205644.9706 17711.7710 0.0000 0.0000 34322.9643 -148634.6149 299.7510 -182957.5792 -148546.3368 300.4514 34.5120 63.5628 559285.9132 -17.2981 -17.1674 LDB: ============= START OF LOAD BALANCING ============== 14455.7 LDB: ============== END OF LOAD BALANCING =============== 14455.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14455.7 LDB: ============= START OF LOAD BALANCING ============== 14456 LDB: Largest compute 4848 load 0.029849 is 25.3% of average load 0.117829 LDB: Average compute 0.001737 is 1.5% of average load 0.117829 LDB: TIME 14456 LOAD: AVG 0.117829 MAX 0.19261 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 14456 LOAD: AVG 0.117829 MAX 0.19261 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: TIME 14456 LOAD: AVG 0.117829 MAX 0.19261 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14456 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14456 PRESSURE: 4972400 55.7812 -46.9799 86.0597 -46.9799 -58.0828 15.3067 86.0585 15.3063 192.927 GPRESSURE: 4972400 65.1704 -121.729 17.4597 4.64829 -15.1412 48.6061 101.339 -33.7093 240.346 PRESSAVG: 4972400 -14.9021 -25.6156 -10.7823 -25.6155 2.64859 4.21615 -10.7823 4.21615 -10.2711 GPRESSAVG: 4972400 -14.9443 -24.6262 -9.32312 -26.6152 2.71404 3.74609 -12.1162 6.18049 -9.96931 TIMING: 4972400 CPU: 14452.8, 0.00299098/step Wall: 14452.8, 0.00299098/step, 0.0229308 hours remaining, 206.902344 MB of memory in use. ENERGY: 4972400 762.3412 2110.4657 1980.6531 113.6880 -206050.3948 17815.3828 0.0000 0.0000 34468.4465 -148799.4175 301.0215 -183267.8640 -148694.7271 300.5901 63.5418 96.7916 558578.7732 -7.5082 -7.3999 PRESSURE: 4972600 -118.774 17.1862 -33.6059 17.1861 -16.2518 99.7003 -33.6062 99.7004 -27.802 GPRESSURE: 4972600 -103.058 -41.8322 -53.6747 92.4367 -27.4875 112.878 0.204777 108.667 75.7366 PRESSAVG: 4972600 -40.9632 17.0148 32.3213 17.0148 26.6225 60.1148 32.3213 60.1148 39.5322 GPRESSAVG: 4972600 -40.1021 16.584 31.1019 16.0735 25.7946 60.6878 32.5535 60.9815 40.012 TIMING: 4972600 CPU: 14453.4, 0.00292723/step Wall: 14453.4, 0.00292723/step, 0.0222794 hours remaining, 207.160156 MB of memory in use. ENERGY: 4972600 759.2545 2085.5786 1962.8305 124.5564 -205773.3014 17901.8000 0.0000 0.0000 34028.8384 -148910.4430 297.1823 -182939.2814 -148814.5620 299.5267 -54.2759 -18.2696 559571.9260 8.3971 8.5682 PRESSURE: 4972800 -144.826 43.4933 5.17684 43.4937 92.9413 -40.5499 5.17763 -40.5495 197.106 GPRESSURE: 4972800 -92.5271 -23.6793 -69.4935 95.6088 128.509 -13.0433 81.0856 -122.903 203.897 PRESSAVG: 4972800 -51.0143 11.2768 54.8605 11.2769 23.8836 -16.6533 54.8605 -16.6534 69.3172 GPRESSAVG: 4972800 -50.4353 11.2847 55.296 11.6559 23.6322 -16.0083 54.8232 -17.0345 68.4904 TIMING: 4972800 CPU: 14454, 0.00291603/step Wall: 14454, 0.00291603/step, 0.0220323 hours remaining, 207.160156 MB of memory in use. ENERGY: 4972800 746.7606 2125.4503 1950.1963 117.3948 -206253.2442 17823.1143 0.0000 0.0000 34560.0409 -148930.2869 301.8214 -183490.3278 -148831.1019 300.5734 48.4072 79.9596 557241.6217 14.0622 13.8958 PRESSURE: 4973000 -132.891 -57.9817 -51.7997 -57.981 170.185 63.6891 -51.8 63.6873 216.938 GPRESSURE: 4973000 -116.919 -127.675 -36.1402 -50.332 206.49 -9.83418 -80.7742 76.0269 263.627 PRESSAVG: 4973000 -18.5621 18.9045 -27.809 18.9044 17.6403 -26.298 -27.8089 -26.2981 42.9092 GPRESSAVG: 4973000 -19.0547 17.8072 -28.5749 19.744 18.3632 -26.7853 -27.7036 -27.4147 42.388 TIMING: 4973000 CPU: 14454.6, 0.00292893/step Wall: 14454.6, 0.00292893/step, 0.021967 hours remaining, 207.160156 MB of memory in use. ENERGY: 4973000 741.1686 2114.3470 1932.4013 101.1055 -206191.3124 17799.9458 0.0000 0.0000 34358.3134 -149144.0308 300.0597 -183502.3442 -149050.5120 300.1055 84.7443 117.7326 556940.6243 13.9958 13.8988 PRESSURE: 4973200 -64.8062 14.8337 222.873 14.8335 -242.072 -101.886 222.873 -101.887 -33.479 GPRESSURE: 4973200 -55.7796 -9.45974 236.816 70.9193 -209.353 -193.499 238.717 -63.4087 7.72459 PRESSAVG: 4973200 -62.0007 30.8714 -28.6814 30.8712 -30.3562 -7.95884 -28.6813 -7.95886 63.7157 GPRESSAVG: 4973200 -63.4234 29.3161 -30.3863 31.6976 -30.2444 -8.09362 -27.5067 -7.26835 64.8105 TIMING: 4973200 CPU: 14455.2, 0.00293789/step Wall: 14455.2, 0.0029379/step, 0.021871 hours remaining, 207.160156 MB of memory in use. ENERGY: 4973200 770.6645 2092.0336 1901.8817 117.2504 -205838.2850 17586.6316 0.0000 0.0000 34083.8355 -149285.9876 297.6626 -183369.8232 -149192.2889 299.5498 -113.4523 -85.8026 557541.3246 -9.5471 -9.6191 PRESSURE: 4973400 -165.619 -74.3334 62.3579 -74.3342 -376.289 47.2369 62.3583 47.2357 -107.033 GPRESSURE: 4973400 -123.104 -116.897 50.8641 -83.9677 -339.845 118.787 59.1773 -30.7789 -78.3538 PRESSAVG: 4973400 -8.06576 8.1292 15.1793 8.12914 -54.0332 -35.9523 15.1793 -35.9522 139.299 GPRESSAVG: 4973400 -7.61583 9.64936 15.9856 7.10859 -53.584 -35.7084 15.135 -35.0263 138.842 TIMING: 4973400 CPU: 14455.8, 0.00292307/step Wall: 14455.8, 0.00292307/step, 0.0215983 hours remaining, 207.160156 MB of memory in use. ENERGY: 4973400 743.6651 2074.5989 1918.6583 118.9500 -206381.7823 17718.0398 0.0000 0.0000 34340.3449 -149467.5253 299.9028 -183807.8702 -149366.4063 299.3419 -216.3135 -180.4340 558036.6578 25.7335 25.8809 PRESSURE: 4973600 -150.368 27.7754 58.4801 27.7757 276.586 -95.9547 58.4793 -95.9541 205.8 GPRESSURE: 4973600 -101.999 2.85607 76.5617 35.8592 364.977 -140.784 47.9838 -129.629 161.384 PRESSAVG: 4973600 -44.3964 -9.62976 -14.3539 -9.62977 -17.9043 -53.969 -14.354 -53.9691 67.6667 GPRESSAVG: 4973600 -45.0219 -10.6791 -13.2503 -9.55387 -17.6562 -53.4338 -16.159 -55.6204 67.7109 TIMING: 4973600 CPU: 14456.4, 0.00292123/step Wall: 14456.4, 0.00292123/step, 0.0214224 hours remaining, 207.160156 MB of memory in use. ENERGY: 4973600 732.4690 2078.0992 1929.6458 103.6529 -206282.3304 17926.7944 0.0000 0.0000 34110.7667 -149400.9023 297.8978 -183511.6690 -149310.6470 298.1132 110.6730 141.4537 556971.4056 1.7887 1.6776 PRESSURE: 4973800 -56.8131 -109.722 -190.219 -109.722 237.785 58.9546 -190.22 58.9536 261.457 GPRESSURE: 4973800 -11.4547 -93.9265 -349.13 -57.9349 314.047 116.863 -93.7826 10.1599 230.274 PRESSAVG: 4973800 -68.5296 -17.6398 -1.37861 -17.6398 20.5911 -19.2046 -1.37868 -19.2044 30.2526 GPRESSAVG: 4973800 -69.1296 -16.3319 -2.22429 -19.5827 20.6968 -20.8723 -0.167269 -19.3712 29.7676 TIMING: 4973800 CPU: 14456.9, 0.002931/step Wall: 14456.9, 0.002931/step, 0.0213312 hours remaining, 207.160156 MB of memory in use. ENERGY: 4973800 706.8123 2139.9289 1917.4009 103.5621 -206776.4974 18062.0263 0.0000 0.0000 34390.8543 -149455.9126 300.3439 -183846.7669 -149358.4189 298.9154 147.4765 177.6219 556943.6049 -5.8953 -6.2217 PRESSURE: 4974000 188.637 -43.5645 -38.5531 -43.564 -157.167 -144.587 -38.552 -144.588 -55.0801 GPRESSURE: 4974000 192.069 13.1707 -26.0294 -41.9371 -132.817 -41.1784 -72.2275 -166.221 5.81988 PRESSAVG: 4974000 -3.32134 8.006 -20.4055 8.00599 17.4204 -43.0135 -20.4055 -43.0135 0.264546 GPRESSAVG: 4974000 -3.9481 8.39905 -21.4279 8.8353 16.6101 -40.5911 -19.6218 -44.3956 0.90171 TIMING: 4974000 CPU: 14457.5, 0.00291685/step Wall: 14457.5, 0.00291685/step, 0.0210662 hours remaining, 207.160156 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: 4974000 743.9456 2117.5297 1949.5706 123.0399 -206513.2671 17937.7095 0.0000 0.0000 34029.4545 -149612.0173 297.1877 -183641.4718 -149518.1907 298.5862 -7.8700 21.6905 558019.7229 4.7879 4.5213 PRESSURE: 4974200 -130.006 121.597 196.283 121.597 -58.8084 -65.9941 196.283 -65.9944 -326.624 GPRESSURE: 4974200 -64.1215 107.722 184.215 229.408 -55.9427 -55.5984 193.938 -156.299 -288.705 PRESSAVG: 4974200 -44.8126 -38.0214 16.0031 -38.0214 33.3897 -36.3636 16.0031 -36.3636 19.5302 GPRESSAVG: 4974200 -43.0556 -40.4673 17.551 -34.4694 33.59 -38.5221 15.6639 -34.9658 17.8199 TIMING: 4974200 CPU: 14458.1, 0.00292095/step Wall: 14458.1, 0.00292095/step, 0.0209335 hours remaining, 207.160156 MB of memory in use. ENERGY: 4974200 755.1504 2141.3646 1954.3801 118.9123 -206230.5512 17680.0239 0.0000 0.0000 33920.9004 -149659.8194 296.2397 -183580.7198 -149555.8679 297.8735 -171.8130 -136.2564 557772.1787 2.7024 2.7847 PRESSURE: 4974400 -48.0895 124.558 98.7698 124.557 -86.2744 -97.8425 98.7706 -97.8428 21.4803 GPRESSURE: 4974400 2.6666 57.3258 156.273 71.5225 -52.2265 4.36414 101.375 -108.457 52.6918 PRESSAVG: 4974400 -42.4601 69.4935 -40.7651 69.4935 9.94061 -3.00355 -40.7651 -3.00352 -3.7786 GPRESSAVG: 4974400 -42.6959 71.1701 -41.1061 67.1642 9.82776 -2.59752 -41.0633 -1.69042 -3.67403 TIMING: 4974400 CPU: 14458.7, 0.00292629/step Wall: 14458.7, 0.00292629/step, 0.0208092 hours remaining, 207.160156 MB of memory in use. ENERGY: 4974400 720.5107 2083.0329 1941.5218 120.3386 -206600.8125 17844.9764 0.0000 0.0000 34328.7987 -149561.6334 299.8019 -183890.4321 -149460.9689 298.3328 -37.6279 1.0440 555988.3093 -12.0994 -12.1807 PRESSURE: 4974600 117.586 -17.6388 139.169 -17.6389 -85.0564 5.18964 139.168 5.18973 200.806 GPRESSURE: 4974600 157.95 -95.8157 141.92 13.3847 -58.7943 -55.3027 147.856 -69.5936 226.176 PRESSAVG: 4974600 45.2379 -6.66113 -3.7119 -6.66111 -1.70861 -17.4137 -3.71191 -17.4137 -33.8436 GPRESSAVG: 4974600 43.7607 -6.1014 -3.87632 -7.75988 -1.65665 -18.0854 -2.54242 -17.5141 -32.4299 TIMING: 4974600 CPU: 14459.3, 0.00291343/step Wall: 14459.3, 0.00291343/step, 0.0205559 hours remaining, 207.160156 MB of memory in use. ENERGY: 4974600 771.8944 2045.3245 1947.8343 106.7814 -206637.2045 18049.8610 0.0000 0.0000 34244.3684 -149471.1405 299.0646 -183715.5089 -149366.2774 298.2011 77.7787 108.4439 557541.4327 3.2286 3.2247 PRESSURE: 4974800 213.199 41.0828 -123.014 41.0822 -56.5544 50.459 -123.014 50.4594 328.619 GPRESSURE: 4974800 233.327 69.828 -152.546 67.2682 29.8209 66.0727 -137.472 33.8776 321.92 PRESSAVG: 4974800 -49.8425 2.23886 0.122958 2.23894 -3.34163 31.4232 0.123042 31.4233 52.0187 GPRESSAVG: 4974800 -48.3886 2.29645 -0.67942 2.19666 -3.7267 31.6287 -0.879561 31.0449 51.1323 TIMING: 4974800 CPU: 14459.9, 0.00290495/step Wall: 14459.9, 0.00290495/step, 0.0203346 hours remaining, 207.160156 MB of memory in use. ENERGY: 4974800 779.3933 2028.0835 1941.1761 106.9952 -206880.3628 18144.6755 0.0000 0.0000 34330.3595 -149549.6797 299.8156 -183880.0392 -149461.0405 298.1615 161.7544 195.0228 556782.7249 -0.3885 -0.3277 PRESSURE: 4975000 84.1069 -56.967 48.4108 -56.9675 -38.0632 -71.0403 48.4129 -71.0403 299.702 GPRESSURE: 4975000 124.099 -128.652 49.4253 -17.936 -9.71918 -77.8047 -40.2793 2.95603 331.898 PRESSAVG: 4975000 40.9247 52.4214 14.735 52.4214 -11.758 -58.0667 14.735 -58.0667 -31.7952 GPRESSAVG: 4975000 39.8236 53.3763 15.794 52.4989 -11.5054 -58.8054 12.9381 -58.2339 -30.8331 TIMING: 4975000 CPU: 14460.4, 0.00291267/step Wall: 14460.4, 0.00291267/step, 0.0202269 hours remaining, 207.160156 MB of memory in use. ENERGY: 4975000 738.0701 2052.7821 1941.4243 112.0508 -206489.9728 18012.0099 0.0000 0.0000 34083.1444 -149550.4914 297.6566 -183633.6357 -149454.4216 297.5950 115.2484 148.7593 556957.8890 -0.8762 -0.8383 PRESSURE: 4975200 56.0468 -172.559 -48.4279 -172.559 -23.3749 -178.06 -48.4283 -178.06 -113.485 GPRESSURE: 4975200 45.7628 -187.497 3.24844 -130.104 23.801 -174.747 -105.943 -173.319 -61.1451 PRESSAVG: 4975200 -70.2337 5.46182 -65.5849 5.46179 -3.04733 -56.3958 -65.5849 -56.3959 51.7596 GPRESSAVG: 4975200 -69.6933 5.35004 -64.7432 3.70171 -1.95704 -56.2427 -64.5369 -56.074 50.2053 TIMING: 4975200 CPU: 14461, 0.00292487/step Wall: 14461, 0.00292487/step, 0.0201491 hours remaining, 207.367188 MB of memory in use. ENERGY: 4975200 766.3748 2080.7001 1933.8390 120.4878 -206451.4161 17958.7336 0.0000 0.0000 34211.5450 -149379.7356 298.7779 -183591.2807 -149287.5847 298.1107 -26.9378 2.8062 557826.6082 -7.1738 -7.1483 PRESSURE: 4975400 68.258 -137.893 -53.1102 -137.893 -33.4792 -220.008 -53.1099 -220.007 240.497 GPRESSURE: 4975400 88.5703 -138.398 58.2039 -140.751 40.951 -259.883 -139.119 -161.879 238.665 PRESSAVG: 4975400 -10.947 -23.5009 -63.096 -23.5008 10.9494 -81.4308 -63.0961 -81.4307 11.253 GPRESSAVG: 4975400 -11.6115 -22.5511 -64.7155 -22.2539 10.4876 -80.2527 -62.8189 -81.4424 12.2576 TIMING: 4975400 CPU: 14461.6, 0.0029444/step Wall: 14461.6, 0.0029444/step, 0.0201201 hours remaining, 207.367188 MB of memory in use. ENERGY: 4975400 765.2147 2043.9289 1933.4629 115.8501 -206614.8509 18126.4075 0.0000 0.0000 34138.2316 -149491.7553 298.1377 -183629.9868 -149390.6243 298.6770 91.7588 122.7287 557638.2354 3.7518 3.7112 PRESSURE: 4975600 -296.964 -26.3078 -63.7798 -26.3091 16.8617 -0.05729 -63.7795 -0.0580929 32.3061 GPRESSURE: 4975600 -245.841 -72.5988 -60.6725 21.6607 40.6803 57.8781 -41.4404 -14.8423 42.9796 PRESSAVG: 4975600 -56.2013 -39.4526 6.602 -39.4526 40.5897 -40.325 6.60204 -40.325 42.1019 GPRESSAVG: 4975600 -54.6629 -40.7517 6.8036 -38.5672 39.8848 -39.3727 7.49509 -41.7327 40.8622 TIMING: 4975600 CPU: 14462.2, 0.00294022/step Wall: 14462.2, 0.00294022/step, 0.0199281 hours remaining, 207.367188 MB of memory in use. ENERGY: 4975600 726.9716 2099.3545 1963.4759 106.5729 -206195.6616 17631.1068 0.0000 0.0000 34096.1915 -149571.9885 297.7705 -183668.1799 -149476.4989 297.3062 -82.5988 -54.0603 558066.3011 8.8301 8.6947 PRESSURE: 4975800 -107.238 117.339 -119.397 117.337 -74.5788 134.673 -119.397 134.674 -191.434 GPRESSURE: 4975800 -133.945 88.9032 -119.431 157.981 -6.48304 85.8337 -98.5295 73.6117 -122.29 PRESSAVG: 4975800 4.97128 21.7837 -8.73191 21.7837 15.0367 -7.51933 -8.73189 -7.51929 -35.7646 GPRESSAVG: 4975800 4.12873 21.8669 -10.8018 21.3947 15.2736 -8.21324 -8.1298 -7.99478 -35.0007 TIMING: 4975800 CPU: 14462.8, 0.00292009/step Wall: 14462.8, 0.00292009/step, 0.0196295 hours remaining, 207.367188 MB of memory in use. ENERGY: 4975800 730.1734 2075.8156 1942.6513 113.9695 -206249.8091 17749.2585 0.0000 0.0000 34046.9321 -149591.0088 297.3403 -183637.9408 -149498.0813 298.0938 -124.4168 -87.5726 558410.6032 -5.2522 -5.1995 PRESSURE: 4976000 234.087 -125.179 50.609 -125.18 -2.00249 -46.4505 50.6092 -46.4509 -253.645 GPRESSURE: 4976000 294.499 -162.381 -36.9169 -71.3616 -8.80124 -20.3274 30.5008 -46.7996 -205.203 PRESSAVG: 4976000 48.6831 4.59277 -15.2702 4.59273 17.6257 19.4009 -15.2701 19.4009 -71.7289 GPRESSAVG: 4976000 48.7492 6.54548 -12.4799 5.01827 18.4317 20.0801 -15.0874 19.8222 -72.5317 TIMING: 4976000 CPU: 14463.4, 0.00291817/step Wall: 14463.4, 0.00291817/step, 0.0194544 hours remaining, 207.367188 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: 4976000 744.0729 2051.0761 1950.9581 113.6005 -206785.6631 18042.2398 0.0000 0.0000 34442.7715 -149440.9441 300.7973 -183883.7156 -149344.6083 298.0535 -7.1869 26.8316 557237.5307 -1.8067 -1.7836 PRESSURE: 4976200 107.764 -66.5875 -33.6923 -66.5884 4.18153 20.7 -33.692 20.7008 -26.9509 GPRESSURE: 4976200 113.925 -3.69154 -66.6519 -43.7547 105.205 -10.4786 -4.25864 66.5706 -25.0055 PRESSAVG: 4976200 50.3782 -13.4541 29.4451 -13.4541 7.11201 7.78428 29.445 7.78432 -15.1061 GPRESSAVG: 4976200 50.3884 -15.6403 27.6574 -13.9696 7.42525 9.00252 28.4714 6.58348 -14.7679 TIMING: 4976200 CPU: 14464, 0.00292666/step Wall: 14464, 0.00292666/step, 0.0193485 hours remaining, 207.367188 MB of memory in use. ENERGY: 4976200 736.7726 2064.9955 1942.3327 107.2242 -206519.6328 17803.1179 0.0000 0.0000 34318.4571 -149546.7329 299.7116 -183865.1899 -149446.2425 298.8504 28.3314 64.7081 555091.8918 14.1281 14.3486 LDB: ============= START OF LOAD BALANCING ============== 14467.4 LDB: ============== END OF LOAD BALANCING =============== 14467.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14467.4 LDB: ============= START OF LOAD BALANCING ============== 14467.7 LDB: Largest compute 4848 load 0.028489 is 24.2% of average load 0.117786 LDB: Average compute 0.001739 is 1.5% of average load 0.117786 LDB: TIME 14467.7 LOAD: AVG 0.117786 MAX 0.193264 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 14467.7 LOAD: AVG 0.117786 MAX 0.193264 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: TIME 14467.7 LOAD: AVG 0.117786 MAX 0.193264 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14467.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14467.7 PRESSURE: 4976400 -178.436 119.845 -33.7907 119.845 -209.906 47.8009 -33.7906 47.799 19.5335 GPRESSURE: 4976400 -101.54 43.8914 24.5077 127.246 -219.868 44.3634 51.0115 -26.0425 55.1743 PRESSAVG: 4976400 19.9703 -5.92046 9.88701 -5.92047 1.80672 49.0336 9.88707 49.0336 -40.6271 GPRESSAVG: 4976400 19.9401 -5.99253 11.5124 -6.48619 1.09228 46.9442 7.80809 51.5768 -40.0313 TIMING: 4976400 CPU: 14464.6, 0.00299519/step Wall: 14464.6, 0.00299519/step, 0.0196351 hours remaining, 207.609375 MB of memory in use. ENERGY: 4976400 705.0889 2147.8378 1947.5506 112.3391 -205980.2186 17427.3224 0.0000 0.0000 34114.8250 -149525.2547 297.9333 -183640.0797 -149435.4909 298.5265 -122.9361 -88.7444 556445.9482 -6.2834 -6.3330 PRESSURE: 4976600 42.8566 46.5712 -31.9764 46.5695 -36.5439 -116.103 -31.9761 -116.103 -58.0525 GPRESSURE: 4976600 32.1362 33.1957 -13.058 100.477 -17.0469 -180.723 -88.9372 4.57107 28.8229 PRESSAVG: 4976600 -26.217 24.361 -23.2147 24.3611 27.8871 -4.44472 -23.2147 -4.44467 -28.245 GPRESSAVG: 4976600 -25.8213 25.1453 -24.0438 25.3541 27.0909 -2.57101 -18.7192 -5.76188 -28.048 TIMING: 4976600 CPU: 14465.1, 0.00294215/step Wall: 14465.1, 0.00294215/step, 0.019124 hours remaining, 207.609375 MB of memory in use. ENERGY: 4976600 717.9430 2101.1148 1936.9516 106.6114 -206218.1146 17841.1793 0.0000 0.0000 33857.0746 -149657.2399 295.6823 -183514.3144 -149561.9966 298.1922 -17.2466 14.6374 557301.6047 -8.8583 -8.9261 PRESSURE: 4976800 28.4598 75.5792 63.115 75.5783 -74.0177 -74.3604 63.1155 -74.3588 -145.898 GPRESSURE: 4976800 80.3584 104.734 91.1854 144.85 -67.6955 -3.01308 73.4207 -152.689 -103.893 PRESSAVG: 4976800 50.2897 62.6511 18.6764 62.6511 -41.4599 47.7917 18.6765 47.7917 7.41887 GPRESSAVG: 4976800 50.1819 63.5107 19.8053 62.9884 -41.2485 44.9193 15.9351 50.2284 6.89431 TIMING: 4976800 CPU: 14465.7, 0.00292062/step Wall: 14465.7, 0.00292062/step, 0.0188218 hours remaining, 207.609375 MB of memory in use. ENERGY: 4976800 718.6962 2064.5945 1943.5359 123.5802 -206344.9260 17733.0422 0.0000 0.0000 34194.0711 -149567.4059 298.6253 -183761.4770 -149474.3616 298.1950 -63.8187 -30.4099 557649.5859 5.4162 5.2759 PRESSURE: 4977000 61.8524 -81.5073 73.8034 -81.5074 184.433 -82.6493 73.8019 -82.6493 -107.779 GPRESSURE: 4977000 136.508 -182.909 28.2614 19.2936 184.357 -35.0093 58.2363 -30.177 -81.3853 PRESSAVG: 4977000 -6.84126 -14.342 4.09541 -14.342 21.8672 -14.0019 4.0954 -14.0019 3.1932 GPRESSAVG: 4977000 -8.02112 -13.4549 1.11936 -15.4734 22.9248 -14.4714 3.34995 -13.8677 2.651 TIMING: 4977000 CPU: 14466.3, 0.002907/step Wall: 14466.3, 0.002907/step, 0.0185725 hours remaining, 207.609375 MB of memory in use. ENERGY: 4977000 747.6771 2064.1498 1958.3426 109.6757 -206792.5675 18079.7238 0.0000 0.0000 34414.8024 -149418.1960 300.5530 -183832.9984 -149329.5124 298.5271 46.1688 79.8266 557747.4918 6.0730 5.8516 PRESSURE: 4977200 -130.973 43.4389 124.802 43.4391 -427.302 -125.622 124.803 -125.62 97.3688 GPRESSURE: 4977200 -185.834 33.5906 108.454 -7.02124 -327.6 -104.504 167.207 -132.488 145.044 PRESSAVG: 4977200 33.4626 -34.3567 -34.9157 -34.3567 19.4788 -15.9404 -34.9157 -15.9403 -64.4019 GPRESSAVG: 4977200 33.2762 -35.622 -33.388 -34.2417 18.2439 -14.914 -34.2935 -17.9114 -63.82 TIMING: 4977200 CPU: 14466.9, 0.00290392/step Wall: 14466.9, 0.00290392/step, 0.0183915 hours remaining, 207.675781 MB of memory in use. ENERGY: 4977200 791.3031 2088.6921 1962.8080 112.3320 -206461.1365 17865.9077 0.0000 0.0000 34299.9073 -149340.1862 299.5496 -183640.0936 -149241.7008 298.4877 -153.6355 -122.7966 559097.7424 -3.8202 -4.1000 PRESSURE: 4977400 -137.674 -89.5041 -45.2949 -89.5046 27.6786 75.2442 -45.2952 75.2443 -8.45578 GPRESSURE: 4977400 -106.935 -54.4386 3.40905 -1.33697 81.3004 87.2171 -92.8132 44.4032 0.217846 PRESSAVG: 4977400 -13.393 -34.9144 16.2114 -34.9145 44.6038 8.91076 16.2115 8.91072 -19.6504 GPRESSAVG: 4977400 -13.0128 -36.4647 16.8783 -33.9743 45.8112 8.37787 16.1026 10.2155 -21.1458 TIMING: 4977400 CPU: 14467.5, 0.00290247/step Wall: 14467.5, 0.00290247/step, 0.018221 hours remaining, 207.675781 MB of memory in use. ENERGY: 4977400 710.9679 2153.8286 1955.0702 114.3488 -206227.8965 17800.2724 0.0000 0.0000 34258.4453 -149234.9634 299.1875 -183493.4087 -149136.7625 298.7374 -39.4839 -8.4721 559257.8550 3.8535 3.8842 PRESSURE: 4977600 16.7274 -39.5735 158.615 -39.5725 -97.1021 91.3523 158.615 91.3525 148.693 GPRESSURE: 4977600 56.9404 -62.866 237.496 -67.1836 -38.6637 139.784 69.8568 103.116 153.694 PRESSAVG: 4977600 35.4879 14.1772 4.13895 14.1772 47.6458 -1.08139 4.13889 -1.08124 -64.8031 GPRESSAVG: 4977600 35.174 15.8919 4.22102 11.7296 47.0904 -0.531491 3.15501 -0.54395 -63.9662 TIMING: 4977600 CPU: 14468.1, 0.00290301/step Wall: 14468.1, 0.00290301/step, 0.0180632 hours remaining, 207.675781 MB of memory in use. ENERGY: 4977600 728.4879 2087.6883 1930.2326 122.5586 -206368.5747 17942.1956 0.0000 0.0000 34351.1407 -149206.2710 299.9971 -183557.4118 -149110.9554 298.7534 22.7727 57.3235 557452.2289 6.1102 6.0994 PRESSURE: 4977800 4.15564 75.515 -70.849 75.5142 21.0215 23.2995 -70.8485 23.3 -121.219 GPRESSURE: 4977800 17.3983 83.467 -45.2196 122.26 39.813 43.1465 -62.4298 -30.116 -59.8258 PRESSAVG: 4977800 -18.7894 -37.598 4.14566 -37.598 59.5655 28.9304 4.1457 28.9304 -30.0321 GPRESSAVG: 4977800 -18.2651 -37.653 3.92786 -36.3633 58.7264 28.8488 5.37569 26.1918 -30.1619 TIMING: 4977800 CPU: 14468.6, 0.00289819/step Wall: 14468.6, 0.00289819/step, 0.0178721 hours remaining, 207.675781 MB of memory in use. ENERGY: 4977800 776.5603 2102.9489 1961.3105 116.6921 -206211.9326 17708.4232 0.0000 0.0000 34260.5297 -149285.4679 299.2057 -183545.9976 -149194.5623 298.7190 -32.0140 -0.8715 558448.8254 3.5813 3.4331 PRESSURE: 4978000 -59.9832 -99.2969 126.642 -99.2972 12.3184 73.1444 126.642 73.1449 -58.8834 GPRESSURE: 4978000 -43.0604 -55.6961 12.221 -113.243 81.9437 80.7131 166.336 60.0449 -44.1221 PRESSAVG: 4978000 -26.8844 35.2527 3.91098 35.2526 34.7492 -35.1984 3.91104 -35.1983 -1.88613 GPRESSAVG: 4978000 -27.0088 35.2259 3.73118 35.3804 35.957 -35.2493 3.05044 -34.7436 -3.06952 TIMING: 4978000 CPU: 14469.2, 0.00291383/step Wall: 14469.2, 0.00291383/step, 0.0178067 hours remaining, 207.878906 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: 4978000 723.8751 2112.9736 1940.0605 113.0050 -205999.0184 17708.3655 0.0000 0.0000 34206.2380 -149194.5008 298.7316 -183400.7387 -149105.8935 299.6584 -35.5160 -1.7463 559365.5558 1.9929 1.9596 PRESSURE: 4978200 -270.853 -86.3313 -119.006 -86.3318 281.083 82.4467 -119.006 82.447 99.5507 GPRESSURE: 4978200 -194.866 -111.619 -144.522 -91.0019 289.411 42.6164 -57.9099 62.5776 118.799 PRESSAVG: 4978200 56.5454 33.7245 -65.1103 33.7246 9.12195 16.0799 -65.1103 16.0798 -45.6994 GPRESSAVG: 4978200 56.6424 34.2544 -61.3707 32.6941 8.09741 16.4611 -66.7346 15.5844 -44.3342 TIMING: 4978200 CPU: 14469.8, 0.00291352/step Wall: 14469.8, 0.00291352/step, 0.017643 hours remaining, 207.878906 MB of memory in use. ENERGY: 4978200 718.1320 2078.6073 1974.3323 111.1497 -206313.5828 17887.3832 0.0000 0.0000 34190.2297 -149353.7486 298.5918 -183543.9782 -149253.0846 298.9633 36.5935 71.1147 557282.3834 6.6560 6.8019 PRESSURE: 4978400 -35.8661 22.1563 -143.821 22.1561 -163.569 43.4849 -143.821 43.4851 -52.8344 GPRESSURE: 4978400 63.1749 76.4025 -124.071 55.3983 -191.87 90.7186 -68.1897 16.8389 -26.7342 PRESSAVG: 4978400 51.8008 -5.98424 -23.5272 -5.98412 -28.0873 15.7182 -23.5272 15.7182 -12.0539 GPRESSAVG: 4978400 51.5491 -4.58052 -26.624 -4.34727 -28.1319 15.76 -20.7094 17.5574 -11.9432 TIMING: 4978400 CPU: 14470.4, 0.00289183/step Wall: 14470.4, 0.00289183/step, 0.017351 hours remaining, 207.878906 MB of memory in use. ENERGY: 4978400 748.5066 2110.2253 1965.0297 104.7856 -205965.3834 17424.1101 0.0000 0.0000 34238.2033 -149374.5228 299.0107 -183612.7260 -149276.1791 298.9448 -84.0899 -51.8097 556495.7044 3.8865 3.8247 PRESSURE: 4978600 -169.313 281.138 -96.3762 281.138 -106.627 -78.2178 -96.3779 -78.2171 -95.6789 GPRESSURE: 4978600 -62.5665 198.126 -113.478 288.967 -102.796 -51.6391 -148.423 -6.45554 -114.073 PRESSAVG: 4978600 22.2586 -2.1347 -37.734 -2.13483 -44.5522 39.5 -37.734 39.5 5.20257 GPRESSAVG: 4978600 23.7643 -3.49548 -40.1931 -3.25417 -44.5661 39.0413 -37.0228 39.1682 4.22498 TIMING: 4978600 CPU: 14471, 0.00292556/step Wall: 14471, 0.00292556/step, 0.0173908 hours remaining, 207.878906 MB of memory in use. ENERGY: 4978600 734.8014 2108.0322 1967.2355 120.5620 -205880.8319 17517.8913 0.0000 0.0000 34069.4829 -149362.8266 297.5373 -183432.3095 -149264.8976 298.4580 -123.8731 -93.1453 558243.1265 -5.6970 -5.5256 PRESSURE: 4978800 76.8631 -166.841 -31.5275 -166.84 113.319 23.2574 -31.5277 23.2588 163.828 GPRESSURE: 4978800 123.704 -137.246 -28.6184 -143.362 143.19 -39.5304 -94.1933 27.9047 178.725 PRESSAVG: 4978800 17.9865 -32.8197 -69.6565 -32.8197 12.3189 35.886 -69.6565 35.886 -24.0162 GPRESSAVG: 4978800 18.0913 -32.3219 -67.7199 -34.9868 11.3352 35.7688 -72.6638 35.7658 -22.4877 TIMING: 4978800 CPU: 14471.5, 0.00292794/step Wall: 14471.5, 0.00292794/step, 0.0172423 hours remaining, 207.878906 MB of memory in use. ENERGY: 4978800 730.8018 2126.3134 1949.7952 113.7834 -206532.1472 17939.7548 0.0000 0.0000 34268.6079 -149403.0908 299.2763 -183671.6987 -149309.4601 298.5682 118.0036 148.5398 556612.4430 2.0964 2.3129 PRESSURE: 4979000 -21.9249 -312.221 110.734 -312.22 146.883 -73.1024 110.735 -73.1017 90.5071 GPRESSURE: 4979000 33.3701 -342.985 115.634 -266.066 181.426 -82.5633 125.119 -121.403 97.5284 PRESSAVG: 4979000 21.7149 -56.8618 32.1759 -56.8618 6.24024 -48.6218 32.1758 -48.6219 -0.633494 GPRESSAVG: 4979000 21.5641 -54.6833 33.8009 -55.2892 7.88889 -47.5278 32.7084 -50.0998 -2.0985 TIMING: 4979000 CPU: 14472.1, 0.00288874/step Wall: 14472.1, 0.00288874/step, 0.016851 hours remaining, 207.878906 MB of memory in use. ENERGY: 4979000 751.2724 2088.4620 1926.6582 114.9854 -206606.6905 17949.6570 0.0000 0.0000 34323.7096 -149451.9459 299.7575 -183775.6555 -149356.0962 298.7906 71.8218 104.1080 557969.2649 9.1072 9.1181 PRESSURE: 4979200 -207.28 58.2043 -307.235 58.2037 -106.951 108.778 -307.236 108.779 187.611 GPRESSURE: 4979200 -173.478 21.4178 -279.578 61.6547 -81.0226 37.9162 -317.545 171.237 225.423 PRESSAVG: 4979200 -30.2052 -28.5271 5.74592 -28.5271 10.4795 -67.6465 5.74595 -67.6466 53.8228 GPRESSAVG: 4979200 -30.8262 -32.3437 5.23702 -28.2783 9.27164 -67.0678 4.00479 -66.268 55.1539 TIMING: 4979200 CPU: 14472.7, 0.00290841/step Wall: 14472.7, 0.00290841/step, 0.0168041 hours remaining, 207.878906 MB of memory in use. ENERGY: 4979200 688.5886 2114.2843 1919.3152 103.4403 -206243.6507 17823.9943 0.0000 0.0000 34228.7882 -149365.2397 298.9285 -183594.0280 -149260.9815 298.7328 -42.2070 -9.6925 559166.0899 11.3657 11.1998 PRESSURE: 4979400 -150.513 -61.3435 32.1672 -61.3446 -173.827 61.1156 32.168 61.1168 105.429 GPRESSURE: 4979400 -94.1365 -101.904 119.907 -55.6972 -135.361 -51.2024 -46.9474 163.271 113.711 PRESSAVG: 4979400 66.6229 -24.8371 1.63183 -24.8371 -29.8813 6.6745 1.6318 6.67437 22.2447 GPRESSAVG: 4979400 66.0378 -21.0368 1.48987 -26.7783 -28.9069 5.01948 3.31947 7.48114 21.6465 TIMING: 4979400 CPU: 14473.3, 0.00293558/step Wall: 14473.3, 0.00293558/step, 0.016798 hours remaining, 207.878906 MB of memory in use. ENERGY: 4979400 754.5135 2133.0454 1937.1516 104.2460 -206198.8751 17812.7035 0.0000 0.0000 34110.5371 -149346.6780 297.8958 -183457.2150 -149247.9554 298.7071 -72.9704 -38.5955 559014.6366 19.6621 19.5925 PRESSURE: 4979600 -146.317 -21.2809 -139.473 -21.2815 -66.2643 20.9823 -139.472 20.981 302.313 GPRESSURE: 4979600 -143.016 -40.9325 -167.449 -87.5954 -5.78791 18.7422 -99.9355 -36.1143 330.215 PRESSAVG: 4979600 -10.1271 -69.4208 3.37848 -69.4208 -6.95533 -4.20963 3.37847 -4.2095 41.4933 GPRESSAVG: 4979600 -10.9541 -70.0003 2.43202 -67.9327 -6.57011 -4.58629 5.71962 -5.28065 41.6619 TIMING: 4979600 CPU: 14473.9, 0.00293026/step Wall: 14473.9, 0.00293026/step, 0.0166048 hours remaining, 207.878906 MB of memory in use. ENERGY: 4979600 723.3053 2055.8369 1966.7785 115.4837 -206228.5105 17915.4008 0.0000 0.0000 33966.0669 -149485.6383 296.6341 -183451.7052 -149385.8565 298.9288 29.9105 60.4703 559566.4061 8.1370 8.0459 PRESSURE: 4979800 -286.472 75.5626 -166.745 75.5629 -311.617 3.03634 -166.746 3.03576 -160.267 GPRESSURE: 4979800 -261.872 49.6728 -113.269 56.3829 -308.992 -17.3826 -141.479 57.3426 -100.537 PRESSAVG: 4979800 -6.75306 -22.0552 28.8063 -22.0552 -57.2901 -36.7697 28.8063 -36.7697 93.2894 GPRESSAVG: 4979800 -5.39475 -22.0962 26.7962 -22.53 -58.8954 -35.0214 26.7379 -37.9506 93.1428 TIMING: 4979800 CPU: 14474.5, 0.00295238/step Wall: 14474.5, 0.00295238/step, 0.0165661 hours remaining, 207.878906 MB of memory in use. ENERGY: 4979800 743.7485 2101.7913 1938.5077 126.9587 -206128.9520 17573.4942 0.0000 0.0000 34293.6112 -149350.8404 299.4946 -183644.4516 -149253.2337 299.8471 -252.7851 -223.8004 559614.7141 9.7487 9.6175 PRESSURE: 4980000 -60.1694 -26.4251 9.33284 -26.4248 199.975 100.002 9.334 100.003 72.4456 GPRESSURE: 4980000 10.6596 -44.8836 -58.2884 -29.6925 205.046 141.05 -45.4581 18.6293 79.7219 PRESSAVG: 4980000 1.76829 36.6192 -22.7711 36.6193 15.5805 19.226 -22.7711 19.226 43.3922 GPRESSAVG: 4980000 1.68462 35.391 -21.4109 36.1803 16.9418 19.2665 -23.1497 19.9985 42.139 TIMING: 4980000 CPU: 14475.1, 0.00295585/step Wall: 14475.1, 0.00295585/step, 0.0164214 hours remaining, 207.878906 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: 4980000 722.2353 2098.1849 1950.7556 111.9798 -206700.5313 18093.4837 0.0000 0.0000 34297.9296 -149425.9624 299.5323 -183723.8920 -149328.5727 299.1502 70.7506 98.4760 557987.9461 20.2470 20.2552 PRESSURE: 4980200 -300.998 -116.485 89.5236 -116.485 -481.059 86.5575 89.522 86.5606 38.187 GPRESSURE: 4980200 -280.899 -134.028 145.72 -80.1649 -444.12 38.7862 80.6045 127.01 79.2753 PRESSAVG: 4980200 -8.27181 -4.65313 -26.7691 -4.65318 -29.6166 13.9862 -26.7691 13.9862 22.4017 GPRESSAVG: 4980200 -8.38758 -4.40002 -25.9622 -3.0573 -30.4087 13.785 -25.9891 15.8366 23.5738 TIMING: 4980200 CPU: 14475.6, 0.00293085/step Wall: 14475.6, 0.00293085/step, 0.0161197 hours remaining, 207.878906 MB of memory in use. ENERGY: 4980200 738.9626 2062.3085 1967.3313 119.2857 -205931.2011 17458.9741 0.0000 0.0000 34120.7002 -149463.6388 297.9846 -183584.3390 -149364.6195 298.1470 -247.9567 -215.2478 558283.0059 -5.1622 -5.0741 LDB: ============= START OF LOAD BALANCING ============== 14479.1 LDB: ============== END OF LOAD BALANCING =============== 14479.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14479.1 LDB: ============= START OF LOAD BALANCING ============== 14479.4 LDB: Largest compute 4848 load 0.028663 is 24.3% of average load 0.117795 LDB: Average compute 0.001743 is 1.5% of average load 0.117795 LDB: TIME 14479.4 LOAD: AVG 0.117795 MAX 0.196428 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.586 MB LDB: TIME 14479.4 LOAD: AVG 0.117795 MAX 0.196428 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: TIME 14479.4 LOAD: AVG 0.117795 MAX 0.196428 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14479.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14479.4 PRESSURE: 4980400 -157.313 293.254 97.2542 293.254 -405.309 21.8041 97.2544 21.8023 -181.049 GPRESSURE: 4980400 -189.359 265.244 148.652 243.968 -343.38 2.93672 71.8881 64.2025 -99.8001 PRESSAVG: 4980400 -63.0823 -15.7232 -9.63334 -15.7232 9.56007 -88.1473 -9.63332 -88.1473 46.5921 GPRESSAVG: 4980400 -63.2351 -13.8498 -11.2302 -17.1686 9.68911 -89.5328 -9.30615 -87.2493 46.5381 TIMING: 4980400 CPU: 14476.2, 0.00300407/step Wall: 14476.2, 0.00300407/step, 0.0163555 hours remaining, 207.609375 MB of memory in use. ENERGY: 4980400 734.5447 2079.2044 1948.4860 111.4312 -206543.0408 17738.6184 0.0000 0.0000 34330.8373 -149599.9189 299.8197 -183930.7562 -149508.1130 298.7942 -247.8904 -210.8466 558490.6160 -2.3100 -2.3360 PRESSURE: 4980600 196.155 92.2147 -56.5756 92.2142 224.817 -5.39076 -56.5761 -5.38899 137.634 GPRESSURE: 4980600 277.613 98.0626 -72.9822 97.4688 177.854 -21.7301 -66.6015 60.0448 186.729 PRESSAVG: 4980600 -19.4614 49.9713 -31.1466 49.9713 18.4264 15.3143 -31.1467 15.3142 -3.29893 GPRESSAVG: 4980600 -21.0376 46.5869 -30.6273 51.1004 17.1924 17.9178 -33.2476 12.7521 -0.605073 TIMING: 4980600 CPU: 14476.8, 0.00294425/step Wall: 14476.8, 0.00294425/step, 0.0158662 hours remaining, 207.812500 MB of memory in use. ENERGY: 4980600 773.3841 2078.4476 1944.1825 111.6981 -206859.6520 18324.8107 0.0000 0.0000 34296.0823 -149331.0466 299.5162 -183627.1289 -149235.7611 298.5214 186.2019 214.0655 557667.5228 -1.4447 -1.4834 PRESSURE: 4980800 66.8772 86.4247 259.151 86.4254 203.298 196.939 259.151 196.938 30.344 GPRESSURE: 4980800 112.885 72.4474 244.863 -41.9918 235.195 151.1 284.037 220.489 60.9562 PRESSAVG: 4980800 -39.3213 72.7676 -52.2113 72.7676 27.192 10.9659 -52.2113 10.966 10.6403 GPRESSAVG: 4980800 -37.516 73.4027 -50.178 72.1477 28.3012 11.2412 -52.2813 9.60551 7.24396 TIMING: 4980800 CPU: 14477.4, 0.00291081/step Wall: 14477.4, 0.00291081/step, 0.0155243 hours remaining, 207.812500 MB of memory in use. ENERGY: 4980800 718.4485 2085.8260 1945.8454 115.6717 -206448.1185 17973.8919 0.0000 0.0000 34168.9286 -149439.5064 298.4058 -183608.4349 -149349.6645 298.7324 100.1729 136.3454 558442.8344 -0.4963 -0.6569 PRESSURE: 4981000 -16.4617 -201.938 74.1743 -201.938 41.7289 -101.782 74.1743 -101.782 117.8 GPRESSURE: 4981000 36.8654 -166.019 89.6917 -265.884 47.3469 -166.37 8.84873 -12.6812 161.881 PRESSAVG: 4981000 -7.92487 -12.9366 20.5217 -12.9365 6.95503 12.1534 20.5217 12.1533 26.1645 GPRESSAVG: 4981000 -8.40616 -13.1304 19.2219 -13.9269 7.07687 9.31893 20.8254 14.4465 27.0973 TIMING: 4981000 CPU: 14478, 0.0029158/step Wall: 14478, 0.0029158/step, 0.0153889 hours remaining, 207.937500 MB of memory in use. ENERGY: 4981000 717.5626 2092.2735 1952.1261 114.9459 -206679.2580 17933.3365 0.0000 0.0000 34241.4913 -149627.5221 299.0395 -183869.0134 -149529.5378 298.7405 47.6890 82.0312 557639.8893 8.3982 8.5893 PRESSURE: 4981200 140.881 54.3986 60.146 54.399 200.176 61.7866 60.1468 61.7866 148.536 GPRESSURE: 4981200 176.586 56.3327 43.4715 62.1522 239.48 147.202 50.4688 -34.7997 171.709 PRESSAVG: 4981200 -14.1994 -44.0943 13.8292 -44.0943 52.0236 30.2123 13.8293 30.2125 11.2266 GPRESSAVG: 4981200 -13.1191 -42.9595 14.5481 -42.5229 49.9664 31.7356 15.1837 27.0314 11.6296 TIMING: 4981200 CPU: 14478.6, 0.00292116/step Wall: 14478.6, 0.00292116/step, 0.0152549 hours remaining, 207.937500 MB of memory in use. ENERGY: 4981200 745.0997 2087.3151 1958.0927 122.5254 -206827.7336 18268.0527 0.0000 0.0000 34032.9289 -149613.7191 297.2180 -183646.6480 -149511.4255 298.4136 163.1973 195.9246 557498.9364 16.3503 16.1590 PRESSURE: 4981400 -205.124 95.4649 -103.835 95.4649 162.497 73.6131 -103.834 73.6132 -85.2813 GPRESSURE: 4981400 -207.564 87.3923 -144.093 100.305 171.314 101.768 -54.8499 72.5669 1.61031 PRESSAVG: 4981400 21.3234 58.1023 -12.2517 58.1023 -30.4593 2.5173 -12.2517 2.51734 9.69042 GPRESSAVG: 4981400 21.171 59.7156 -14.413 56.432 -29.3085 4.67518 -12.0022 3.243 9.09349 TIMING: 4981400 CPU: 14479.2, 0.00292241/step Wall: 14479.2, 0.00292241/step, 0.0150991 hours remaining, 207.937500 MB of memory in use. ENERGY: 4981400 715.1586 2060.3971 1958.2891 108.6445 -206356.9761 17753.7355 0.0000 0.0000 34162.0695 -149598.6817 298.3458 -183760.7513 -149506.4602 298.3605 -42.6359 -11.5464 557081.3324 0.1848 0.3186 PRESSURE: 4981600 -86.0378 47.476 -66.7138 47.4771 -244.052 17.6047 -66.7144 17.6023 -194.797 GPRESSURE: 4981600 -40.9555 53.3242 -39.5241 23.272 -298.044 -35.4661 -63.9701 -53.4982 -99.5027 PRESSAVG: 4981600 -15.6033 46.8362 -30.6102 46.8362 -0.693159 -60.0718 -30.6103 -60.0718 23.0857 GPRESSAVG: 4981600 -16.2778 44.7389 -29.6077 48.6811 -0.761825 -62.0329 -30.8523 -58.6146 23.3384 TIMING: 4981600 CPU: 14479.8, 0.00294474/step Wall: 14479.8, 0.00294474/step, 0.0150509 hours remaining, 207.937500 MB of memory in use. ENERGY: 4981600 765.7257 2073.9851 1957.0343 121.5118 -206338.0860 17706.0104 0.0000 0.0000 34219.5222 -149494.2964 298.8476 -183713.8186 -149396.7128 298.2318 -174.9623 -146.1675 556954.8074 2.2631 2.0996 PRESSURE: 4981800 -157.482 -80.265 14.6082 -80.2641 65.365 19.4729 14.6086 19.4726 -148.541 GPRESSURE: 4981800 -62.8903 -118.591 60.2133 -2.67025 47.3547 19.348 -1.15514 29.7328 -127.913 PRESSAVG: 4981800 -12.7869 0.625542 52.3487 0.625591 14.6801 44.6748 52.3487 44.6748 -30.5543 GPRESSAVG: 4981800 -13.2767 1.54551 50.8878 0.0662418 14.4065 44.661 53.0582 43.1798 -28.9717 TIMING: 4981800 CPU: 14480.3, 0.00294451/step Wall: 14480.3, 0.00294451/step, 0.0148862 hours remaining, 207.937500 MB of memory in use. ENERGY: 4981800 725.6746 2079.4869 1926.1313 114.7841 -206245.7945 17708.9383 0.0000 0.0000 34213.3823 -149477.3969 298.7940 -183690.7793 -149386.5120 298.5838 -80.2195 -47.8163 557695.9480 -9.5537 -9.2806 PRESSURE: 4982000 -296.308 -0.165084 -83.8305 -0.165358 -219.662 11.8999 -83.8325 11.9004 -81.358 GPRESSURE: 4982000 -270.271 11.353 -37.1237 -3.81015 -147.562 2.70693 -114.784 -38.774 -83.2187 PRESSAVG: 4982000 14.276 -31.8781 -8.5283 -31.8782 -14.0821 -46.9258 -8.5283 -46.9258 11.3428 GPRESSAVG: 4982000 14.5285 -33.4194 -8.11297 -32.4973 -13.6264 -45.7684 -10.7346 -45.609 10.5137 TIMING: 4982000 CPU: 14480.9, 0.00291324/step Wall: 14480.9, 0.00291324/step, 0.0145662 hours remaining, 207.937500 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: 4982000 777.7242 2082.5560 1969.4478 108.7566 -206219.3623 17732.1589 0.0000 0.0000 34136.3984 -149412.3203 298.1217 -183548.7187 -149314.4280 298.9738 -199.1093 -167.0172 558553.2051 3.8456 3.8053 PRESSURE: 4982200 31.4022 20.949 -56.7504 20.9496 -161.277 64.068 -56.7489 64.0683 126.071 GPRESSURE: 4982200 80.3295 27.4896 -50.537 58.1016 -85.6924 2.80426 -142.017 73.7102 100.364 PRESSAVG: 4982200 -34.928 16.3862 -40.702 16.3862 16.9486 -24.2418 -40.7019 -24.2417 28.3743 GPRESSAVG: 4982200 -33.9201 16.0741 -39.7502 17.7142 16.4917 -27.4676 -39.6366 -23.7745 27.7398 TIMING: 4982200 CPU: 14481.5, 0.00291505/step Wall: 14481.5, 0.00291505/step, 0.0144133 hours remaining, 207.937500 MB of memory in use. ENERGY: 4982200 764.9501 2092.9335 1942.1103 108.0242 -206361.6718 17748.2416 0.0000 0.0000 34352.8511 -149352.5610 300.0120 -183705.4121 -149261.5356 298.5686 -1.2682 31.6672 556671.2571 3.4650 3.4372 PRESSURE: 4982400 -112.441 157.482 -1.82885 157.482 -64.6008 -5.36362 -1.82762 -5.36316 -189.067 GPRESSURE: 4982400 -98.3933 95.0863 56.4316 202.136 -88.6399 -43.2498 -24.426 50.0636 -74.3702 PRESSAVG: 4982400 -26.7125 -58.8881 27.1103 -58.8881 -36.9899 -34.1397 27.1103 -34.1397 73.7773 GPRESSAVG: 4982400 -27.4049 -58.8942 27.5307 -58.8892 -36.5126 -31.1787 27.8838 -35.0029 73.2515 TIMING: 4982400 CPU: 14482.1, 0.0029037/step Wall: 14482.1, 0.0029037/step, 0.0141959 hours remaining, 207.937500 MB of memory in use. ENERGY: 4982400 776.5348 2063.3570 1948.0190 107.0648 -205939.9124 17493.7417 0.0000 0.0000 34326.1669 -149225.0282 299.7790 -183551.1951 -149125.5599 298.3512 -122.0362 -87.1345 558024.3827 3.3583 3.1114 PRESSURE: 4982600 -104.251 49.2042 -66.0767 49.2028 -118.815 -18.8661 -66.0776 -18.8656 -113.093 GPRESSURE: 4982600 -37.3477 21.1134 -69.3874 46.6738 -132.335 -19.543 -14.5276 -20.608 -57.5314 PRESSAVG: 4982600 32.4562 -23.4318 -13.4384 -23.4318 -7.66426 57.6908 -13.4384 57.6908 -1.8626 GPRESSAVG: 4982600 32.5879 -23.1139 -13.494 -24.8801 -7.89292 56.8541 -13.5975 56.7017 -1.71581 TIMING: 4982600 CPU: 14482.7, 0.0029347/step Wall: 14482.7, 0.0029347/step, 0.0141844 hours remaining, 207.937500 MB of memory in use. ENERGY: 4982600 757.6604 2162.2863 1935.3708 102.7202 -206011.9919 17716.7967 0.0000 0.0000 34198.5683 -149138.5893 298.6646 -183337.1575 -149041.1708 298.6193 -112.0528 -75.7379 559379.2137 7.6431 7.6597 PRESSURE: 4982800 -11.0662 -82.6601 143.25 -82.6597 -69.0295 -95.6379 143.25 -95.6373 -391.762 GPRESSURE: 4982800 65.8256 19.9703 87.8875 -52.3007 -18.5092 -171.598 111.743 43.5565 -414.119 PRESSAVG: 4982800 -12.9618 -49.4621 40.9661 -49.4622 16.496 21.0714 40.9661 21.0713 -15.5841 GPRESSAVG: 4982800 -13.3157 -50.3832 41.0831 -46.8865 17.2593 18.6166 40.8651 20.8463 -16.1492 TIMING: 4982800 CPU: 14483.3, 0.00291653/step Wall: 14483.3, 0.00291653/step, 0.0139345 hours remaining, 207.937500 MB of memory in use. ENERGY: 4982800 790.3319 2086.0773 1953.1099 108.4962 -205803.6179 17535.2484 0.0000 0.0000 34364.1858 -148966.1682 300.1110 -183330.3541 -148866.1424 299.9206 -157.2860 -122.2675 557286.8896 -4.0167 -4.0685 PRESSURE: 4983000 57.0348 -93.8436 -90.3974 -93.843 114.859 -81.1581 -90.3976 -81.1589 80.2321 GPRESSURE: 4983000 80.6266 -59.1254 -121.058 -106.459 137.041 -108.425 -16.9882 -80.7148 125.251 PRESSAVG: 4983000 -19.5359 9.84705 17.1973 9.84709 -5.31045 -10.2438 17.1974 -10.2438 30.5857 GPRESSAVG: 4983000 -19.4876 11.3024 15.1091 8.95336 -6.15043 -8.95427 18.0314 -9.2423 31.4072 TIMING: 4983000 CPU: 14483.9, 0.00292854/step Wall: 14483.9, 0.00292854/step, 0.0138292 hours remaining, 207.937500 MB of memory in use. ENERGY: 4983000 744.6414 2120.4149 1963.7550 122.8071 -206252.4022 17924.8260 0.0000 0.0000 34490.4048 -148885.5530 301.2133 -183375.9579 -148786.5643 300.2617 84.0418 114.3061 557176.2842 1.9131 1.9230 PRESSURE: 4983200 -109.878 72.2914 -98.6103 72.2929 -173.102 216.485 -98.6114 216.484 -102.277 GPRESSURE: 4983200 -69.3701 1.36427 -86.9871 72.0836 -152.21 149.007 -104.771 174.772 -75.6361 PRESSAVG: 4983200 -10.0164 4.08435 -55.7826 4.08441 -76.1673 16.73 -55.7826 16.7301 27.2344 GPRESSAVG: 4983200 -8.38045 3.21601 -55.807 3.65449 -77.1254 16.9557 -56.4338 17.3573 26.57 TIMING: 4983200 CPU: 14484.4, 0.00290827/step Wall: 14484.4, 0.00290827/step, 0.0135719 hours remaining, 207.937500 MB of memory in use. ENERGY: 4983200 770.1641 2103.8677 1926.9792 106.2554 -205849.7225 17601.3902 0.0000 0.0000 34429.4939 -148911.5719 300.6813 -183341.0658 -148817.1096 299.8524 -128.4192 -99.0721 557818.6683 -19.6498 -19.6453 PRESSURE: 4983400 -148.198 -110.635 -34.5896 -110.635 38.9438 -86.7811 -34.5894 -86.7802 273.932 GPRESSURE: 4983400 -151.753 -100.93 -57.3999 -70.2434 135.199 -109.553 19.9252 -79.8207 259.466 PRESSAVG: 4983400 17.7787 6.35371 0.234397 6.35381 -42.5726 -8.73642 0.234527 -8.73647 12.2711 GPRESSAVG: 4983400 16.7819 6.74187 2.90059 7.3188 -41.2367 -8.69743 -0.727087 -10.4105 11.9825 TIMING: 4983400 CPU: 14485, 0.00290024/step Wall: 14485, 0.00290024/step, 0.0133733 hours remaining, 207.937500 MB of memory in use. ENERGY: 4983400 804.3424 2099.7535 1936.4950 104.3095 -206381.5404 17965.2668 0.0000 0.0000 34476.8951 -148994.4784 301.0953 -183471.3734 -148900.2884 300.0001 54.8928 80.9704 557058.5005 -4.1743 -4.1574 PRESSURE: 4983600 151.843 43.6612 -266.349 43.6619 20.1016 5.86249 -266.349 5.86229 -204.102 GPRESSURE: 4983600 162.264 30.2296 -205.583 76.5246 107.64 77.9553 -296.645 -87.7666 -216.286 PRESSAVG: 4983600 27.4979 40.477 1.32796 40.477 22.5864 -56.6818 1.32805 -56.6816 -23.0157 GPRESSAVG: 4983600 26.0444 42.9558 1.53794 36.9709 23.1744 -57.1808 0.993821 -54.9245 -22.4804 TIMING: 4983600 CPU: 14485.6, 0.00290709/step Wall: 14485.6, 0.00290709/step, 0.0132434 hours remaining, 207.937500 MB of memory in use. ENERGY: 4983600 742.6401 2117.1689 1960.0185 109.7458 -206302.0876 17997.5408 0.0000 0.0000 34314.3932 -149060.5803 299.6761 -183374.9735 -148966.6207 299.3474 -10.7190 17.8728 558009.6160 9.0228 8.9128 PRESSURE: 4983800 37.1099 -159.542 -74.9616 -159.542 -278.11 -101.874 -74.9598 -101.872 25.1693 GPRESSURE: 4983800 88.294 -140.12 -87.9684 -121.01 -261.916 -83.8904 -77.6487 -63.0467 68.4643 PRESSAVG: 4983800 39.0746 -65.8403 16.2637 -65.8403 -28.3655 34.9883 16.2636 34.9885 -18.0028 GPRESSAVG: 4983800 41.2302 -67.4651 13.89 -64.8672 -30.0662 36.3364 17.8288 32.798 -18.6144 TIMING: 4983800 CPU: 14486.2, 0.00290838/step Wall: 14486.2, 0.00290838/step, 0.0130877 hours remaining, 208.140625 MB of memory in use. ENERGY: 4983800 757.6023 2066.7761 1950.3863 115.6250 -206123.5457 17774.4866 0.0000 0.0000 34351.2077 -149107.4617 299.9976 -183458.6694 -149009.9275 299.8481 -71.9436 -35.0525 558815.6039 -2.4313 -2.4835 PRESSURE: 4984000 50.6258 -95.5909 -25.0939 -95.5916 265.695 -33.8456 -25.0945 -33.8455 246.55 GPRESSURE: 4984000 90.5639 -44.361 33.7185 -96.6242 257.253 95.3253 -54.1165 -101.231 294.372 PRESSAVG: 4984000 8.0597 44.3718 -15.8722 44.3719 -42.3319 32.9059 -15.8722 32.9058 58.8597 GPRESSAVG: 4984000 7.56092 45.6788 -14.1874 46.0148 -42.1648 31.6086 -16.1106 34.8575 58.9318 TIMING: 4984000 CPU: 14486.8, 0.00289439/step Wall: 14486.8, 0.00289439/step, 0.0128639 hours remaining, 208.140625 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: 4984000 722.5802 2101.4220 1959.5879 116.2552 -206382.7468 18000.3369 0.0000 0.0000 34287.1593 -149195.4053 299.4383 -183482.5646 -149092.0054 299.7554 187.6235 214.0629 557416.8789 8.1958 8.1093 PRESSURE: 4984200 -198.281 89.567 19.3334 89.5681 -52.3305 56.7073 19.3336 56.7062 -106.155 GPRESSURE: 4984200 -150.608 72.3783 -14.8507 121.08 -42.7032 38.9717 76.2184 56.3193 -64.6098 PRESSAVG: 4984200 -22.9286 18.7725 2.47769 18.7725 17.7602 20.7705 2.4777 20.7706 -33.8893 GPRESSAVG: 4984200 -23.3437 15.4674 1.12659 19.3929 17.2939 22.3095 2.15291 19.3507 -33.1459 TIMING: 4984200 CPU: 14487.3, 0.0029188/step Wall: 14487.3, 0.0029188/step, 0.0128103 hours remaining, 208.140625 MB of memory in use. ENERGY: 4984200 731.7377 2106.7008 1925.1728 111.2263 -206097.8869 17573.7374 0.0000 0.0000 34294.4587 -149354.8532 299.5020 -183649.3119 -149257.5249 299.3462 -118.9224 -85.9735 557359.8033 -13.0192 -13.0652 LDB: ============= START OF LOAD BALANCING ============== 14490.8 LDB: ============== END OF LOAD BALANCING =============== 14490.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14490.8 LDB: ============= START OF LOAD BALANCING ============== 14491.1 LDB: Largest compute 4848 load 0.029399 is 25.0% of average load 0.117802 LDB: Average compute 0.001744 is 1.5% of average load 0.117802 LDB: TIME 14491.1 LOAD: AVG 0.117802 MAX 0.193403 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.105 MB LDB: TIME 14491.1 LOAD: AVG 0.117802 MAX 0.193403 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: TIME 14491.1 LOAD: AVG 0.117802 MAX 0.193403 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14491.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14491.1 PRESSURE: 4984400 -186.889 -30.5986 -160.196 -30.5987 57.7199 44.0859 -160.193 44.0874 166.806 GPRESSURE: 4984400 -127.841 -5.89098 -314.376 20.1963 117.198 -18.878 -111.426 58.2609 140.347 PRESSAVG: 4984400 45.9833 -6.83994 -37.3202 -6.83982 8.23189 7.22186 -37.3202 7.22199 -20.8866 GPRESSAVG: 4984400 46.0787 -5.70142 -37.3622 -6.79462 8.27403 6.61842 -36.8914 8.30555 -21.0214 TIMING: 4984400 CPU: 14487.9, 0.00296897/step Wall: 14487.9, 0.00296897/step, 0.0128655 hours remaining, 207.414062 MB of memory in use. ENERGY: 4984400 723.5305 2041.1283 1934.2808 111.3980 -206187.0285 17811.5559 0.0000 0.0000 34233.7198 -149331.4152 298.9716 -183565.1351 -149243.8763 299.2231 12.5456 43.2344 556386.3822 11.1095 11.1104 PRESSURE: 4984600 44.7752 50.7939 102.181 50.7941 -35.0039 24.9768 102.182 24.9767 -24.7744 GPRESSURE: 4984600 87.7889 75.3013 50.1207 -12.6058 -21.4432 15.221 158.027 73.1006 25.865 PRESSAVG: 4984600 -42.7682 13.7517 11.9149 13.7517 23.0815 -19.7599 11.9149 -19.7598 -20.3676 GPRESSAVG: 4984600 -42.7402 13.1739 12.0255 12.5184 22.9881 -18.0881 11.0172 -22.0457 -20.5768 TIMING: 4984600 CPU: 14488.5, 0.00293006/step Wall: 14488.5, 0.00293006/step, 0.0125341 hours remaining, 207.558594 MB of memory in use. ENERGY: 4984600 747.9574 2051.1827 1914.0086 115.8040 -206206.4147 17745.9764 0.0000 0.0000 34251.4262 -149380.0594 299.1262 -183631.4857 -149284.7734 298.7781 -5.0010 30.7369 557884.7718 -13.3514 -13.4429 PRESSURE: 4984800 80.7131 -94.1187 -126.18 -94.1196 -142.363 66.7176 -126.179 66.7169 206.487 GPRESSURE: 4984800 75.0223 -85.1903 -92.1704 -124.407 -78.0165 60.7652 -41.1129 44.8088 238.031 PRESSAVG: 4984800 -48.7505 19.8705 -49.4383 19.8705 11.0827 -24.2846 -49.4384 -24.2846 42.1467 GPRESSAVG: 4984800 -50.5901 20.4104 -49.9037 19.3418 11.6843 -26.4221 -49.3083 -22.4736 43.2756 TIMING: 4984800 CPU: 14489.1, 0.00291894/step Wall: 14489.1, 0.00291894/step, 0.0123244 hours remaining, 207.558594 MB of memory in use. ENERGY: 4984800 714.5656 2079.9178 1936.1986 107.8943 -206354.6075 18032.3715 0.0000 0.0000 34060.5352 -149423.1244 297.4591 -183483.6596 -149330.4459 299.0933 48.2790 78.3455 558205.2224 1.4930 1.4566 PRESSURE: 4985000 -122.485 -6.89257 -95.0271 -6.89256 -31.1659 29.267 -95.0273 29.267 234.412 GPRESSURE: 4985000 -68.4182 -13.4301 -156.507 -17.3567 -10.1012 61.9473 0.479039 18.5927 261.326 PRESSAVG: 4985000 -47.5809 -78.2736 23.6729 -78.2735 -0.349128 -47.5191 23.6729 -47.5192 5.37453 GPRESSAVG: 4985000 -46.1215 -76.5849 24.3642 -79.3614 0.117115 -46.2162 24.2073 -48.1904 3.12249 TIMING: 4985000 CPU: 14489.7, 0.00288487/step Wall: 14489.7, 0.00288487/step, 0.0120203 hours remaining, 207.558594 MB of memory in use. ENERGY: 4985000 756.3505 2087.6934 1938.0710 119.7605 -206232.7384 17983.5723 0.0000 0.0000 33933.1776 -149414.1132 296.3469 -183347.2907 -149320.8325 299.1489 26.9206 60.9354 557644.3496 -14.1852 -14.2940 PRESSURE: 4985200 -141.895 122.414 193.816 122.413 -25.2393 169.245 193.817 169.245 -69.1307 GPRESSURE: 4985200 -42.0733 87.6832 187.243 182.92 -10.446 220.129 219.245 138.474 -75.0689 PRESSAVG: 4985200 -16.0875 -14.4582 -40.4026 -14.4582 -35.0494 70.3425 -40.4025 70.3424 17.2195 GPRESSAVG: 4985200 -16.4336 -17.0051 -42.2882 -12.1066 -35.7231 67.412 -39.7256 71.3133 18.1688 TIMING: 4985200 CPU: 14490.3, 0.00292509/step Wall: 14490.3, 0.00292509/step, 0.0120254 hours remaining, 207.558594 MB of memory in use. ENERGY: 4985200 756.8788 2041.0447 1943.8702 105.6554 -206265.1972 17836.0223 0.0000 0.0000 34224.7559 -149356.9699 298.8933 -183581.7258 -149264.6730 298.9334 -78.7551 -42.5294 557570.2592 -11.3058 -11.3293 PRESSURE: 4985400 2.85412 -10.087 -26.8536 -10.087 -194.553 98.6833 -26.8532 98.6836 -259.951 GPRESSURE: 4985400 50.3896 0.925187 -6.03181 -25.0428 -167.021 -72.9918 0.0965272 205.568 -234.926 PRESSAVG: 4985400 -40.5191 70.7192 -26.7821 70.7192 52.8997 38.8938 -26.7821 38.8938 24.3764 GPRESSAVG: 4985400 -39.949 70.6265 -26.2591 70.0583 52.8861 40.2084 -26.562 38.7071 23.6431 TIMING: 4985400 CPU: 14490.8, 0.0029099/step Wall: 14490.8, 0.0029099/step, 0.0118012 hours remaining, 207.558594 MB of memory in use. ENERGY: 4985400 730.5648 2119.7194 1935.6752 110.8041 -205948.7026 17559.0795 0.0000 0.0000 33973.3256 -149519.5341 296.6975 -183492.8596 -149421.7517 298.2228 -150.5502 -117.1858 559130.2023 12.2524 12.1934 PRESSURE: 4985600 -201.304 164.092 110.802 164.092 16.4255 146.387 110.802 146.385 109.336 GPRESSURE: 4985600 -157.323 201.073 86.1038 158.402 64.7925 245.582 155.329 156.646 106.289 PRESSAVG: 4985600 -9.11864 -19.4948 -35.8387 -19.4948 -4.46175 12.5934 -35.8387 12.5933 -33.4543 GPRESSAVG: 4985600 -10.1537 -18.555 -34.7715 -21.2125 -5.03091 15.7233 -38.2165 13.1292 -32.0343 TIMING: 4985600 CPU: 14491.4, 0.00291907/step Wall: 14491.4, 0.00291907/step, 0.0116763 hours remaining, 207.558594 MB of memory in use. ENERGY: 4985600 731.6175 2061.1705 1917.8101 117.1260 -206558.3928 17932.4367 0.0000 0.0000 34311.9970 -149486.2350 299.6552 -183798.2321 -149386.2687 297.9434 -25.1807 4.5863 558098.5303 -15.6782 -15.7396 PRESSURE: 4985800 417.578 7.75962 -138.302 7.75962 419.056 0.485759 -138.302 0.487535 37.3245 GPRESSURE: 4985800 447.04 65.2704 -71.2561 -30.9375 475.076 47.1198 -95.8115 41.6946 53.7711 PRESSAVG: 4985800 -57.0528 7.91895 -10.7178 7.91901 -32.0191 -10.0817 -10.7179 -10.0817 50.8678 GPRESSAVG: 4985800 -56.4082 7.2146 -10.6703 10.4192 -33.7685 -11.1143 -8.85018 -10.255 51.9856 TIMING: 4985800 CPU: 14492, 0.00293897/step Wall: 14492, 0.00293897/step, 0.0115926 hours remaining, 207.558594 MB of memory in use. ENERGY: 4985800 743.9802 2062.7397 1957.9818 105.3950 -207084.9462 18534.3808 0.0000 0.0000 34283.6653 -149396.8034 299.4078 -183680.4687 -149301.4209 298.4645 291.3193 325.2958 555988.2526 -12.7347 -12.7304 PRESSURE: 4986000 -57.7487 101.5 -32.979 101.5 -50.3959 57.9229 -32.9782 57.9221 -107.936 GPRESSURE: 4986000 4.25351 66.5361 -46.2787 95.2072 -6.31074 122.607 -11.2721 56.7901 -121.152 PRESSAVG: 4986000 6.95634 48.8112 -10.9665 48.8113 13.0397 16.2217 -10.9665 16.2218 -3.48477 GPRESSAVG: 4986000 7.74415 47.4637 -10.3549 48.4757 13.5149 15.4988 -11.9088 16.0903 -4.78387 TIMING: 4986000 CPU: 14492.6, 0.00290991/step Wall: 14492.6, 0.00290991/step, 0.0113163 hours remaining, 207.558594 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: 4986000 754.1750 2033.2597 1932.7525 108.8425 -206302.9157 17889.4722 0.0000 0.0000 34209.9716 -149374.4421 298.7642 -183584.4137 -149279.4288 298.8761 -72.0269 -41.0698 558596.9351 5.5037 5.4917 PRESSURE: 4986200 153.914 42.2647 -17.5419 42.2632 33.3268 53.6195 -17.5419 53.6204 -251.729 GPRESSURE: 4986200 208.453 30.688 6.16452 17.229 36.8784 63.554 -65.073 69.3753 -222.847 PRESSAVG: 4986200 -6.99445 34.6452 30.8497 34.645 -15.3605 38.4903 30.8497 38.4904 -31.8145 GPRESSAVG: 4986200 -8.70146 35.3374 29.3581 34.1196 -14.296 38.045 31.9991 40.3546 -31.0238 TIMING: 4986200 CPU: 14493.2, 0.00291301/step Wall: 14493.2, 0.00291301/step, 0.0111666 hours remaining, 207.558594 MB of memory in use. ENERGY: 4986200 744.7239 2052.1251 1928.0830 110.9926 -206401.3272 17974.5274 0.0000 0.0000 34226.4758 -149364.3994 298.9083 -183590.8752 -149272.2226 298.7523 -21.4964 7.4948 557180.1350 -18.0565 -18.0071 PRESSURE: 4986400 -260.476 28.0202 -86.4848 28.0213 -137.551 -6.78383 -86.4841 -6.78316 -204.068 GPRESSURE: 4986400 -251.98 -48.7297 -94.2538 14.948 -85.6572 -0.228257 -110.465 22.725 -170.402 PRESSAVG: 4986400 57.8177 -5.16615 16.2722 -5.16615 68.3638 39.5718 16.2723 39.5718 -82.6813 GPRESSAVG: 4986400 58.8943 -4.81494 15.0911 -5.78718 68.327 41.2371 17.913 37.9525 -83.5751 TIMING: 4986400 CPU: 14493.8, 0.00291462/step Wall: 14493.8, 0.00291462/step, 0.0110108 hours remaining, 207.558594 MB of memory in use. ENERGY: 4986400 745.9792 2069.8223 1954.4004 113.9545 -206290.8537 17551.0875 0.0000 0.0000 34337.0199 -149518.5900 299.8737 -183855.6099 -149415.9642 298.8090 -200.6983 -169.3461 558334.8264 14.5001 14.5488 PRESSURE: 4986600 -60.3975 61.8473 -225.762 61.8475 85.4597 -29.0273 -225.763 -29.0281 -105.004 GPRESSURE: 4986600 33.5173 -7.2172 -174.589 82.1015 102.703 -22.0355 -247.465 -18.6097 -121.05 PRESSAVG: 4986600 31.4914 27.8009 -71.9528 27.8008 -25.9534 42.9339 -71.9528 42.9338 -14.0878 GPRESSAVG: 4986600 31.0673 28.1135 -70.0184 28.7414 -26.3378 43.6931 -73.6462 43.1877 -13.7035 TIMING: 4986600 CPU: 14494.3, 0.00292372/step Wall: 14494.3, 0.00292372/step, 0.0108827 hours remaining, 207.820312 MB of memory in use. ENERGY: 4986600 753.8164 2066.0984 1914.6943 112.1760 -206311.0142 17741.1688 0.0000 0.0000 34288.1023 -149434.9581 299.4465 -183723.0604 -149335.9033 298.7027 -26.6474 5.0568 557869.0368 -2.8499 -2.9913 PRESSURE: 4986800 -177.439 -94.7735 7.80541 -94.7727 179.965 -51.3008 7.80482 -51.3011 98.0362 GPRESSURE: 4986800 -118.22 -150.562 -56.5047 -92.5602 170.861 -106.31 9.39169 -62.2077 138.177 PRESSAVG: 4986800 -35.9297 -12.1767 -19.8055 -12.1766 14.2847 29.3014 -19.8055 29.3014 -7.18632 GPRESSAVG: 4986800 -36.7139 -11.6124 -20.3819 -12.4987 14.679 29.0726 -19.1164 29.9146 -7.43341 TIMING: 4986800 CPU: 14494.9, 0.00292711/step Wall: 14494.9, 0.00292711/step, 0.0107327 hours remaining, 207.820312 MB of memory in use. ENERGY: 4986800 733.2686 2155.6530 1959.2308 120.6478 -206393.6829 17810.0688 0.0000 0.0000 34145.0058 -149469.8081 298.1968 -183614.8139 -149376.1452 298.9504 33.5206 63.6060 557747.6691 -9.6105 -9.8228 PRESSURE: 4987000 -44.584 -107.562 14.7557 -107.563 34.8327 51.2285 14.7552 51.2268 -31.121 GPRESSURE: 4987000 25.057 -183.513 18.8635 -71.8222 48.4655 -4.6642 74.0707 58.3816 -16.1325 PRESSAVG: 4987000 10.1939 33.1515 17.3176 33.1515 -76.1427 39.796 17.3176 39.796 73.4329 GPRESSAVG: 4987000 9.84716 32.7216 19.222 31.5893 -75.4223 37.1925 15.5233 38.3918 72.975 TIMING: 4987000 CPU: 14495.5, 0.00292297/step Wall: 14495.5, 0.00292297/step, 0.0105552 hours remaining, 207.820312 MB of memory in use. ENERGY: 4987000 798.1936 2057.4076 1964.4034 121.5015 -206625.7395 17896.9691 0.0000 0.0000 34414.5896 -149372.6747 300.5512 -183787.2644 -149273.7736 299.6199 -13.6241 19.1300 556315.2414 2.4947 2.4666 PRESSURE: 4987200 414.89 -98.2284 13.3839 -98.2275 -280.878 151.084 13.3848 151.085 -69.8934 GPRESSURE: 4987200 416.201 -149.827 37.6041 -9.40633 -198.126 146.092 -23.1551 167.855 -61.8611 PRESSAVG: 4987200 25.5369 -0.334571 -42.721 -0.334574 -39.9181 -28.8509 -42.7211 -28.8508 -4.70658 GPRESSAVG: 4987200 25.4731 0.785458 -42.4152 0.611774 -40.5545 -28.9763 -40.9288 -26.6592 -4.50562 TIMING: 4987200 CPU: 14496.1, 0.00290841/step Wall: 14496.1, 0.00290841/step, 0.010341 hours remaining, 207.820312 MB of memory in use. ENERGY: 4987200 759.2199 2090.5701 1953.2281 91.3728 -206564.4136 17947.1552 0.0000 0.0000 34300.1968 -149422.6706 299.5522 -183722.8675 -149319.5163 299.0076 21.3729 52.0713 555152.1633 -6.3626 -6.5290 PRESSURE: 4987400 83.3435 -97.4541 -48.1008 -97.4542 -109.935 -131.569 -48.102 -131.569 39.6064 GPRESSURE: 4987400 123.945 -72.6802 -18.3985 -48.1824 -103.081 -122.195 -12.6044 -90.3632 104.929 PRESSAVG: 4987400 67.1979 -31.1729 -19.0735 -31.173 -68.1953 11.2857 -19.0735 11.2856 -14.444 GPRESSAVG: 4987400 68.5215 -30.8799 -21.0709 -32.4222 -68.2205 14.7608 -20.5484 10.9219 -15.1642 TIMING: 4987400 CPU: 14496.7, 0.0029292/step Wall: 14496.7, 0.0029292/step, 0.0102522 hours remaining, 207.820312 MB of memory in use. ENERGY: 4987400 722.8849 2117.0595 1957.8748 99.2665 -206154.4129 17587.5897 0.0000 0.0000 34264.4813 -149405.2563 299.2402 -183669.7376 -149314.2498 298.4815 4.3382 41.9309 556041.0556 -5.1471 -4.9544 PRESSURE: 4987600 61.2567 -141.722 -88.9916 -141.723 -7.97548 57.1309 -88.9908 57.1307 -352.564 GPRESSURE: 4987600 130.143 -108.996 -145.507 -82.6157 -42.6031 90.4688 -125.236 95.4662 -296.209 PRESSAVG: 4987600 40.3605 -16.238 34.1174 -16.238 -15.1547 37.5826 34.1174 37.5825 -16.7593 GPRESSAVG: 4987600 39.9717 -16.9039 34.8571 -14.7131 -16.3848 35.3861 35.9569 38.6881 -14.9653 TIMING: 4987600 CPU: 14497.3, 0.00293486/step Wall: 14497.3, 0.00293486/step, 0.010109 hours remaining, 207.820312 MB of memory in use. ENERGY: 4987600 748.3961 2094.1765 1963.4479 103.6315 -206183.2837 17552.4390 0.0000 0.0000 34458.9300 -149262.2628 300.9384 -183721.1927 -149171.6594 299.0095 -99.7610 -69.5562 557368.7697 2.8155 2.8738 PRESSURE: 4987800 108.325 -160.999 7.85146 -160.998 140.232 17.0058 7.8505 17.0077 7.65811 GPRESSURE: 4987800 98.4699 -150.92 72.7408 -125.144 157.571 -16.4009 29.5669 43.9175 93.0663 PRESSAVG: 4987800 18.1197 13.4693 -20.1452 13.4692 30.9645 46.3453 -20.1451 46.3453 -21.2109 GPRESSAVG: 4987800 18.1274 10.6339 -17.6624 13.6217 32.8129 47.3846 -21.3112 43.9877 -22.6009 TIMING: 4987800 CPU: 14497.9, 0.00290879/step Wall: 14497.9, 0.00290879/step, 0.00985756 hours remaining, 207.820312 MB of memory in use. ENERGY: 4987800 744.6165 2089.4414 1962.3024 114.0882 -206633.9091 18105.5835 0.0000 0.0000 34203.8203 -149414.0569 298.7105 -183617.8771 -149315.2485 299.2499 85.4049 116.3691 557405.0949 9.2911 9.4465 PRESSURE: 4988000 148.766 -56.9198 90.8261 -56.9195 126.866 -108.267 90.8263 -108.266 78.0474 GPRESSURE: 4988000 217.037 -12.4564 24.8093 -74.8234 98.4199 -114.356 148.808 -144.723 138.224 PRESSAVG: 4988000 4.32149 7.73181 7.80919 7.73169 13.1402 17.3884 7.8091 17.3886 58.8065 GPRESSAVG: 4988000 3.10856 7.84021 6.42114 8.82433 13.5298 17.6413 7.11675 19.2756 59.6611 TIMING: 4988000 CPU: 14498.4, 0.0029406/step Wall: 14498.4, 0.0029406/step, 0.009802 hours remaining, 207.820312 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: 4988000 775.9724 2086.4499 1941.7727 112.8088 -206668.6342 18047.7666 0.0000 0.0000 34331.9911 -149371.8727 299.8298 -183703.8638 -149283.6303 298.1573 117.8932 151.2270 558198.4849 25.4227 25.4331 PRESSURE: 4988200 259.217 30.2494 -131.156 30.2501 280.031 -189.146 -131.156 -189.146 -76.6491 GPRESSURE: 4988200 285.602 21.43 -155.88 18.0585 324.142 -120.462 -122.491 -233.162 -55.2785 PRESSAVG: 4988200 -62.9477 17.3423 6.73267 17.3424 -31.79 12.918 6.73271 12.9179 47.9786 GPRESSAVG: 4988200 -62.0092 18.4561 5.63786 14.894 -32.0998 11.8784 6.98309 12.3051 46.946 TIMING: 4988200 CPU: 14499, 0.00292912/step Wall: 14499, 0.00292912/step, 0.009601 hours remaining, 207.820312 MB of memory in use. ENERGY: 4988200 729.0797 2086.7605 1930.2917 124.0807 -206735.9173 18198.1057 0.0000 0.0000 34258.2697 -149409.3293 299.1860 -183667.5989 -149315.6377 298.6594 154.1995 184.8216 557550.8656 -15.5864 -15.7210 LDB: ============= START OF LOAD BALANCING ============== 14502.5 LDB: ============== END OF LOAD BALANCING =============== 14502.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14502.5 LDB: ============= START OF LOAD BALANCING ============== 14502.8 LDB: Largest compute 4848 load 0.028459 is 24.2% of average load 0.117750 LDB: Average compute 0.001741 is 1.5% of average load 0.117750 LDB: TIME 14502.8 LOAD: AVG 0.11775 MAX 0.19231 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.098 MB LDB: TIME 14502.8 LOAD: AVG 0.11775 MAX 0.19231 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: TIME 14502.8 LOAD: AVG 0.11775 MAX 0.19231 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14502.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14502.8 PRESSURE: 4988400 103.646 28.0953 125.435 28.0944 -80.2339 38.1549 125.435 38.1526 198.326 GPRESSURE: 4988400 149.158 -16.861 77.1669 64.1474 -45.1857 95.5397 84.0254 -16.6737 203.839 PRESSAVG: 4988400 -36.0255 16.7373 7.47648 16.7373 -13.5911 -17.2393 7.47644 -17.2393 28.0314 GPRESSAVG: 4988400 -35.8471 17.2756 7.50754 16.4331 -14.5119 -17.823 6.09217 -16.999 28.6482 TIMING: 4988400 CPU: 14499.6, 0.00300646/step Wall: 14499.6, 0.00300646/step, 0.00968749 hours remaining, 208.769531 MB of memory in use. ENERGY: 4988400 725.8660 2083.6790 1946.1731 110.0403 -206682.7884 18140.7720 0.0000 0.0000 34184.8716 -149491.3865 298.5450 -183676.2581 -149392.6177 298.9845 73.9126 102.6036 557761.6895 -7.1951 -7.2369 PRESSURE: 4988600 101.377 79.0184 113.868 79.0187 54.6741 167.701 113.869 167.702 17.218 GPRESSURE: 4988600 136.976 30.1477 95.7925 91.7457 82.4945 109.475 72.2378 225.028 48.1811 PRESSAVG: 4988600 -24.0714 -45.9654 -1.7006 -45.9655 28.7965 45.5289 -1.70054 45.5289 -22.6013 GPRESSAVG: 4988600 -24.2819 -45.548 -0.101767 -47.0595 29.2379 46.6174 -1.72023 47.8074 -22.9486 TIMING: 4988600 CPU: 14500.2, 0.00293724/step Wall: 14500.2, 0.00293724/step, 0.00930126 hours remaining, 209.136719 MB of memory in use. ENERGY: 4988600 758.7220 2092.9247 1955.5417 112.4439 -206598.4797 17934.4913 0.0000 0.0000 34093.4234 -149650.9327 297.7463 -183744.3561 -149549.2987 299.0540 57.7565 89.2171 557051.3717 -5.9587 -5.9975 PRESSURE: 4988800 -7.52325 -201.44 -21.8364 -201.44 -71.8953 139.578 -21.8365 139.577 -146.373 GPRESSURE: 4988800 -3.64719 -174.025 -99.9474 -198.248 -52.6903 159.757 -14.5759 126.865 -74.4232 PRESSAVG: 4988800 16.1647 -60.9953 -1.23336 -60.9952 -11.2315 -13.7883 -1.23321 -13.7883 -39.1434 GPRESSAVG: 4988800 16.3711 -60.8547 -4.06758 -58.0869 -11.81 -14.844 1.2901 -15.9277 -38.4435 TIMING: 4988800 CPU: 14500.8, 0.00294201/step Wall: 14500.8, 0.00294201/step, 0.00915293 hours remaining, 209.136719 MB of memory in use. ENERGY: 4988800 775.7282 2074.4220 1934.2768 108.3404 -206157.2678 17694.3998 0.0000 0.0000 34010.7791 -149559.3216 297.0246 -183570.1007 -149468.2893 297.7959 -75.2640 -43.5869 558141.5135 -11.4034 -11.2941 PRESSURE: 4989000 -135.42 -93.3512 32.1089 -93.3507 -42.9659 45.8258 32.1091 45.8284 -204.354 GPRESSURE: 4989000 -126.848 -36.1223 95.6521 -102.13 -47.0338 56.2248 67.8297 67.7038 -110.37 PRESSAVG: 4989000 -1.64355 -22.945 3.52289 -22.945 54.5659 -22.778 3.52294 -22.7781 -7.66299 GPRESSAVG: 4989000 -2.10368 -23.4367 2.71618 -24.474 54.6773 -21.368 3.37622 -24.3846 -7.51933 TIMING: 4989000 CPU: 14501.4, 0.00294045/step Wall: 14501.4, 0.00294045/step, 0.0089847 hours remaining, 209.136719 MB of memory in use. ENERGY: 4989000 763.2669 2136.3044 1958.3668 109.5896 -206180.0693 17599.0959 0.0000 0.0000 34219.1611 -149394.2846 298.8444 -183613.4457 -149295.3818 299.0164 -127.5798 -94.7506 557623.2357 15.0865 15.0181 PRESSURE: 4989200 10.0623 -44.0112 184.683 -44.0108 -154.845 125.704 184.683 125.703 -472.92 GPRESSURE: 4989200 60.753 -96.3647 114.153 15.5289 -104.888 195.261 195.22 125.448 -473.077 PRESSAVG: 4989200 35.4106 -33.4567 65.3346 -33.4566 74.1426 1.9844 65.3346 1.98434 -69.9464 GPRESSAVG: 4989200 35.4751 -31.2517 67.292 -33.083 74.7811 1.55381 64.979 3.10984 -70.9366 TIMING: 4989200 CPU: 14502, 0.0029406/step Wall: 14502, 0.0029406/step, 0.00882179 hours remaining, 209.339844 MB of memory in use. ENERGY: 4989200 765.7699 2151.5229 1938.6052 113.9613 -206412.2182 17665.4398 0.0000 0.0000 34382.9264 -149393.9928 300.2746 -183776.9192 -149303.6909 299.1653 -205.9011 -172.4041 557239.1185 13.2022 13.1065 PRESSURE: 4989400 -97.3932 118.706 26.0359 118.706 -170.347 125.903 26.0354 125.904 168.471 GPRESSURE: 4989400 -73.3428 122.576 33.1027 69.7306 -119.296 200.734 48.6647 58.0739 198.703 PRESSAVG: 4989400 41.0002 2.09008 -9.34999 2.09008 -15.0994 55.7013 -9.34997 55.7012 -6.54462 GPRESSAVG: 4989400 39.9475 0.18109 -9.5265 2.82895 -14.5353 56.1989 -9.17329 54.0945 -6.01069 TIMING: 4989400 CPU: 14502.6, 0.00293164/step Wall: 14502.6, 0.00293164/step, 0.00863205 hours remaining, 209.339844 MB of memory in use. ENERGY: 4989400 764.6430 2098.2642 1944.9539 113.8409 -206319.2657 17738.9965 0.0000 0.0000 34133.3778 -149525.1895 298.0953 -183658.5673 -149432.2006 299.2715 -33.0895 2.0214 556498.0322 6.4521 6.4672 PRESSURE: 4989600 -100.374 -102.564 -20.3563 -102.564 -66.9818 -0.680071 -20.3561 -0.679914 -109.944 GPRESSURE: 4989600 -67.0477 -185.571 82.1929 -43.1966 -44.7061 57.9301 12.8097 -10.5609 -76.7168 PRESSAVG: 4989600 11.2681 1.13392 12.0243 1.13396 0.679948 5.52251 12.0243 5.5225 2.82723 GPRESSAVG: 4989600 11.9831 -0.941663 13.5786 0.172093 -0.743313 5.40726 11.4342 7.46181 2.75531 TIMING: 4989600 CPU: 14503.2, 0.00295259/step Wall: 14503.2, 0.00295259/step, 0.00852971 hours remaining, 209.339844 MB of memory in use. ENERGY: 4989600 741.8899 2088.6305 1961.3212 124.5882 -206120.7897 17666.3410 0.0000 0.0000 34143.6936 -149394.3253 298.1854 -183538.0189 -149296.1825 298.7311 -92.4331 -62.8235 557278.4278 4.9251 4.6650 PRESSURE: 4989800 -250.388 53.6613 56.5255 53.6623 -152.215 308.693 56.525 308.692 20.254 GPRESSURE: 4989800 -237.499 59.3665 -64.8196 88.0667 -111.886 281.048 101.088 355.494 51.2073 PRESSAVG: 4989800 -37.8702 -11.137 24.9435 -11.137 13.7074 -8.40236 24.9435 -8.40234 10.6293 GPRESSAVG: 4989800 -36.9845 -7.62755 23.6795 -9.49192 13.275 -9.72145 27.3547 -8.18055 10.0674 TIMING: 4989800 CPU: 14503.7, 0.00292976/step Wall: 14503.7, 0.00292976/step, 0.00830098 hours remaining, 209.339844 MB of memory in use. ENERGY: 4989800 698.8144 2143.5836 1956.0706 122.8385 -206361.3668 17746.4750 0.0000 0.0000 34347.5553 -149346.0293 299.9657 -183693.5846 -149255.9276 298.9534 -127.4498 -99.3925 557164.7268 -4.5112 -4.5474 PRESSURE: 4990000 -52.305 -51.3502 39.504 -51.3516 79.4524 44.1076 39.504 44.108 101.976 GPRESSURE: 4990000 -47.6499 -20.2948 -43.5251 18.2885 89.2341 170.356 84.7522 33.4423 176.668 PRESSAVG: 4990000 5.69325 29.4975 -43.7681 29.4976 -15.3851 -1.74832 -43.7682 -1.74836 11.0968 GPRESSAVG: 4990000 5.57795 29.5769 -43.0313 27.9891 -15.3502 -1.58145 -45.0631 -1.63146 11.3063 TIMING: 4990000 CPU: 14504.3, 0.00293693/step Wall: 14504.3, 0.00293693/step, 0.00815813 hours remaining, 209.339844 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: 4990000 728.8229 2024.8440 1967.3237 112.9763 -206532.3013 17937.6645 0.0000 0.0000 34382.8728 -149377.7970 300.2742 -183760.6698 -149274.3976 299.0804 43.0413 72.7508 556645.9016 0.4683 0.5114 PRESSURE: 4990200 -42.0056 114.014 -66.5913 114.014 -412.339 80.2569 -66.5901 80.2572 -320.148 GPRESSURE: 4990200 -31.822 85.3585 -51.0727 73.7365 -343.849 181.984 5.51155 65.0548 -306.846 PRESSAVG: 4990200 18.4436 -32.1571 20.7284 -32.1571 58.4474 -1.24849 20.7284 -1.24856 -76.0291 GPRESSAVG: 4990200 18.0999 -32.9571 18.9593 -32.3142 58.0772 -1.69935 20.5554 0.682281 -75.5584 TIMING: 4990200 CPU: 14504.9, 0.00291817/step Wall: 14504.9, 0.00291817/step, 0.00794391 hours remaining, 209.339844 MB of memory in use. ENERGY: 4990200 778.0429 2113.9856 1955.2673 117.1227 -206193.1676 17543.8555 0.0000 0.0000 34368.4297 -149316.4638 300.1480 -183684.8935 -149218.2839 299.0639 -258.1643 -227.5056 557527.6307 0.2873 0.2062 PRESSURE: 4990400 -285.673 218.641 150.63 218.64 -98.2308 175.698 150.631 175.697 -276.198 GPRESSURE: 4990400 -258.712 223.07 169.435 225.621 -31.4005 164.86 144.495 218.294 -270.806 PRESSAVG: 4990400 13.8676 20.3445 -17.3354 20.3445 -26.8353 -30.1326 -17.3354 -30.1326 -5.49552 GPRESSAVG: 4990400 13.4119 20.8134 -18.0664 19.8585 -26.4234 -30.6828 -17.6825 -29.9456 -5.52403 TIMING: 4990400 CPU: 14505.5, 0.00294523/step Wall: 14505.5, 0.00294523/step, 0.00785396 hours remaining, 209.339844 MB of memory in use. ENERGY: 4990400 779.1997 2143.7709 1920.1603 116.0769 -206142.2176 17558.5004 0.0000 0.0000 34386.5365 -149237.9728 300.3062 -183624.5094 -149143.9726 299.8772 -220.0338 -186.9727 556693.6157 -6.1544 -6.1785 PRESSURE: 4990600 132.644 -84.7228 -5.51605 -84.7224 -33.8917 -1.43091 -5.5152 -1.43107 -9.33172 GPRESSURE: 4990600 140.774 -148.964 6.71127 -39.7361 -0.261123 25.4905 -94.6608 11.276 52.8884 PRESSAVG: 4990600 -23.3528 15.6852 6.9665 15.6852 74.4623 12.5645 6.96651 12.5645 -24.1645 GPRESSAVG: 4990600 -22.8007 13.2626 7.74779 16.6698 74.7346 14.8372 7.58603 10.5346 -24.2521 TIMING: 4990600 CPU: 14506.1, 0.00293637/step Wall: 14506.1, 0.00293637/step, 0.00766719 hours remaining, 209.339844 MB of memory in use. ENERGY: 4990600 779.9066 2167.5961 1930.4639 119.1428 -206303.8537 17771.8367 0.0000 0.0000 34158.0844 -149376.8232 298.3110 -183534.9076 -149284.9674 299.3556 29.8069 64.4671 555754.8013 8.9817 9.2273 PRESSURE: 4990800 193.293 9.15185 -3.80415 9.15205 79.2034 77.0439 -3.8051 77.0437 133.389 GPRESSURE: 4990800 243.643 14.3249 -14.3424 -73.4459 65.6327 58.2408 -12.825 96.95 200.325 PRESSAVG: 4990800 18.4834 -49.5329 16.3022 -49.5329 105.767 -5.15808 16.3023 -5.158 -70.6518 GPRESSAVG: 4990800 18.5468 -47.1529 16.509 -51.0228 104.966 -3.66393 17.3013 -3.53493 -69.6575 TIMING: 4990800 CPU: 14506.7, 0.00293804/step Wall: 14506.7, 0.00293804/step, 0.00750832 hours remaining, 209.339844 MB of memory in use. ENERGY: 4990800 779.8519 2145.3143 1967.4608 109.3726 -206765.5537 18034.9008 0.0000 0.0000 34424.5310 -149304.1223 300.6380 -183728.6533 -149205.6671 299.4763 135.2950 169.8669 556038.8087 17.8663 17.9519 PRESSURE: 4991000 -188.71 137.603 -74.9599 137.603 -154.897 -19.9078 -74.9598 -19.9065 -194.297 GPRESSURE: 4991000 -201.042 138.642 -56.5698 160.388 -71.1347 50.7673 -101.551 -12.2577 -164.22 PRESSAVG: 4991000 -7.08515 -47.5658 -16.7314 -47.5658 -49.4777 29.9269 -16.7313 29.9268 15.0987 GPRESSAVG: 4991000 -7.12659 -46.5643 -14.9604 -47.1773 -48.8366 28.4409 -19.1162 29.8546 13.9883 TIMING: 4991000 CPU: 14507.3, 0.00293855/step Wall: 14507.3, 0.00293855/step, 0.00734637 hours remaining, 209.390625 MB of memory in use. ENERGY: 4991000 756.7389 2080.5029 1987.3890 103.4781 -205772.4825 17436.7165 0.0000 0.0000 34174.1416 -149233.5155 298.4513 -183407.6571 -149131.1886 299.7970 -179.3013 -145.4656 556413.7163 -13.8214 -13.9916 PRESSURE: 4991200 -65.9296 1.80902 -149.691 1.80908 -129.514 165.57 -149.69 165.57 30.6222 GPRESSURE: 4991200 -33.7532 21.8446 -154.907 59.2792 -103.794 180.648 -209.126 203.001 58.5813 PRESSAVG: 4991200 -38.1512 -1.08387 -54.0679 -1.08401 -10.4402 45.2087 -54.0679 45.2087 33.3618 GPRESSAVG: 4991200 -37.8598 -0.285468 -53.4967 -2.2865 -10.4707 44.3865 -53.7467 42.8468 33.247 TIMING: 4991200 CPU: 14507.9, 0.00291236/step Wall: 14507.9, 0.00291236/step, 0.00711911 hours remaining, 209.390625 MB of memory in use. ENERGY: 4991200 778.5103 2089.5309 1983.2253 108.3402 -206271.8833 17684.3916 0.0000 0.0000 34384.7483 -149243.1368 300.2906 -183627.8851 -149141.9518 299.6585 -54.9403 -26.3221 555941.3397 -5.0765 -5.0278 PRESSURE: 4991400 -23.5818 96.8361 78.8632 96.8354 50.7555 -16.3799 78.8634 -16.3785 189.96 GPRESSURE: 4991400 -29.9167 82.3185 -22.6071 149.481 170.235 -41.8707 130.535 47.4661 188.626 PRESSAVG: 4991400 -43.8355 27.8045 -18.2789 27.8045 -37.5222 -4.51688 -18.2789 -4.51689 24.4298 GPRESSAVG: 4991400 -43.0662 25.7345 -19.9728 29.0928 -37.1718 -4.44001 -17.9136 -2.65272 23.3938 TIMING: 4991400 CPU: 14508.4, 0.00292312/step Wall: 14508.4, 0.00292312/step, 0.006983 hours remaining, 209.390625 MB of memory in use. ENERGY: 4991400 755.8874 2025.4230 1972.8213 127.0970 -206610.8627 18022.2873 0.0000 0.0000 34282.3909 -149424.9559 299.3966 -183707.3468 -149330.6007 299.5118 72.3780 109.6479 556471.8358 -18.9760 -18.9480 PRESSURE: 4991600 -37.2663 77.4532 -100.17 77.4531 41.1582 -13.6034 -100.169 -13.6016 -130.874 GPRESSURE: 4991600 -54.2144 44.3767 -65.4706 106.254 92.9994 9.24739 -19.5086 -6.45747 -68.6295 PRESSAVG: 4991600 16.5753 25.5265 35.8943 25.5264 -4.66446 7.46879 35.8943 7.46881 -22.3256 GPRESSAVG: 4991600 15.8495 25.8132 35.5474 25.1187 -4.30959 7.66918 35.2893 8.1636 -21.3976 TIMING: 4991600 CPU: 14509, 0.00292473/step Wall: 14509, 0.00292473/step, 0.00682437 hours remaining, 209.390625 MB of memory in use. ENERGY: 4991600 771.4500 2123.7415 1961.5136 134.8110 -206417.7806 17840.8252 0.0000 0.0000 34253.8995 -149331.5398 299.1478 -183585.4393 -149241.5308 298.9117 -42.3274 -9.9482 556225.7026 -3.4716 -3.2859 PRESSURE: 4991800 298.225 -23.737 151.624 -23.7367 -116.166 50.0518 151.623 50.052 -100.483 GPRESSURE: 4991800 332.361 -28.9164 134.972 -32.8632 -75.2626 -17.8503 135.332 87.8188 -75.3072 PRESSAVG: 4991800 46.5341 14.3022 11.6423 14.3021 -19.7509 8.05974 11.6424 8.05978 -11.664 GPRESSAVG: 4991800 46.0192 12.0569 12.605 16.1837 -20.2128 6.64439 11.0485 8.86452 -11.2762 TIMING: 4991800 CPU: 14509.6, 0.00289443/step Wall: 14509.6, 0.00289443/step, 0.00659286 hours remaining, 209.390625 MB of memory in use. ENERGY: 4991800 760.5236 2095.1877 1957.3301 116.7097 -206506.7477 18009.1163 0.0000 0.0000 34093.9641 -149473.9163 297.7511 -183567.8804 -149383.5067 298.6656 27.1917 60.5971 556496.8137 5.0397 4.8434 PRESSURE: 4992000 -255.875 63.9116 -147.36 63.9111 45.938 -61.0853 -147.361 -61.0844 35.6467 GPRESSURE: 4992000 -198.336 120.807 -167.101 84.7458 66.2748 -56.3489 -164.067 -109.317 44.5963 PRESSAVG: 4992000 18.7732 -24.4345 -2.75264 -24.4345 34.6905 8.06934 -2.75263 8.06916 -53.7125 GPRESSAVG: 4992000 18.7396 -23.1131 -3.65565 -25.2499 34.8274 8.63851 -0.81133 5.73716 -54.0481 TIMING: 4992000 CPU: 14510.2, 0.00291416/step Wall: 14510.2, 0.00291416/step, 0.00647592 hours remaining, 209.390625 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: 4992000 764.1561 2082.8979 1962.7071 116.9610 -206686.5917 17934.7694 0.0000 0.0000 34175.2873 -149649.8130 298.4613 -183825.1003 -149551.9929 298.0620 -58.0969 -29.1550 557020.6258 -0.0829 -0.1604 PRESSURE: 4992200 -263.778 -43.8271 -92.7698 -43.8259 -119.672 -105.452 -92.7707 -105.452 -209.916 GPRESSURE: 4992200 -248.044 -80.2672 -118.807 -46.1836 -76.2113 -148.935 -102.027 -19.6574 -173.597 PRESSAVG: 4992200 18.9631 -38.5753 -8.08419 -38.5754 13.3843 -60.1258 -8.08424 -60.1257 -27.5986 GPRESSAVG: 4992200 18.2081 -38.7287 -7.06273 -40.5297 14.0686 -60.4768 -7.84476 -57.3452 -27.2418 TIMING: 4992200 CPU: 14510.8, 0.00290011/step Wall: 14510.8, 0.00290011/step, 0.00628357 hours remaining, 209.390625 MB of memory in use. ENERGY: 4992200 761.9298 2121.2406 1963.2906 111.0424 -206731.7827 17711.2290 0.0000 0.0000 34328.7936 -149734.2568 299.8019 -184063.0504 -149640.6295 298.2471 -197.7887 -165.9511 556992.2529 1.5829 1.6783 LDB: ============= START OF LOAD BALANCING ============== 14514.2 LDB: ============== END OF LOAD BALANCING =============== 14514.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14514.2 LDB: ============= START OF LOAD BALANCING ============== 14514.5 LDB: Largest compute 4848 load 0.028240 is 23.9% of average load 0.117918 LDB: Average compute 0.001734 is 1.5% of average load 0.117918 LDB: TIME 14514.5 LOAD: AVG 0.117918 MAX 0.190649 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 206.074 MB LDB: TIME 14514.5 LOAD: AVG 0.117918 MAX 0.190649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: TIME 14514.5 LOAD: AVG 0.117918 MAX 0.190649 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: ============== END OF LOAD BALANCING =============== 14514.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14514.5 PRESSURE: 4992400 86.2768 -1.48135 5.04574 -1.48198 100.389 -130.797 5.04605 -130.797 -44.5136 GPRESSURE: 4992400 113.656 2.92879 -54.0774 -22.022 128.097 -122.067 28.5644 -207.696 -1.74837 PRESSAVG: 4992400 -15.1576 21.3106 -60.7845 21.3105 6.61793 -45.5362 -60.7845 -45.5362 -17.1636 GPRESSAVG: 4992400 -14.5502 21.5579 -60.1443 23.0388 6.00342 -44.4936 -61.138 -47.1178 -17.7005 TIMING: 4992400 CPU: 14511.4, 0.00296864/step Wall: 14511.4, 0.00296864/step, 0.00626714 hours remaining, 208.191406 MB of memory in use. ENERGY: 4992400 713.2650 2094.3120 1958.1510 118.3119 -206350.9557 17823.3757 0.0000 0.0000 34030.4521 -149613.0879 297.1964 -183643.5399 -149510.6421 297.9406 47.3842 80.0016 556909.4204 -8.5678 -8.7491 PRESSURE: 4992600 -69.207 -76.2593 -251.563 -76.2593 -107.084 -114.122 -251.562 -114.121 68.6355 GPRESSURE: 4992600 -21.5757 -126.721 -184.359 -78.2728 -74.3602 -2.55525 -263.782 -142.278 83.1718 PRESSAVG: 4992600 2.11907 -9.20519 -8.18464 -9.20512 17.8597 -14.016 -8.18469 -14.016 -23.6241 GPRESSAVG: 4992600 3.18753 -9.91841 -8.84529 -10.2845 16.4643 -13.2882 -8.30804 -15.2394 -23.4187 TIMING: 4992600 CPU: 14511.9, 0.00290859/step Wall: 14511.9, 0.00290859/step, 0.00597877 hours remaining, 208.335938 MB of memory in use. ENERGY: 4992600 746.9349 2064.9337 1964.4119 108.3591 -206453.5220 17946.5901 0.0000 0.0000 34234.6012 -149387.6911 298.9793 -183622.2923 -149291.9636 298.5648 -35.8850 -4.2547 558102.6570 -1.2151 -1.2556 PRESSURE: 4992800 28.9382 -71.4387 -69.3142 -71.4381 -261.874 -26.2289 -69.3156 -26.2283 -73.9597 GPRESSURE: 4992800 66.0543 -135.944 -81.931 -45.2923 -283.429 -25.2999 -24.3123 -28.4468 6.29436 PRESSAVG: 4992800 70.7704 -20.2061 -106.847 -20.2061 -66.6908 -42.1119 -106.847 -42.1119 3.99018 GPRESSAVG: 4992800 70.1692 -19.9719 -106.652 -20.8791 -65.1363 -39.698 -106.338 -42.266 2.99689 TIMING: 4992800 CPU: 14512.5, 0.00290478/step Wall: 14512.5, 0.00290478/step, 0.00580956 hours remaining, 208.335938 MB of memory in use. ENERGY: 4992800 762.2191 2087.9591 1976.0100 115.1996 -206093.7444 17635.4151 0.0000 0.0000 34156.2818 -149360.6596 298.2953 -183516.9414 -149258.7691 298.9322 -102.2986 -70.3600 559099.6929 2.6899 2.6766 PRESSURE: 4993000 -137.263 -30.6385 -81.5554 -30.6382 229.534 83.0466 -81.556 83.0461 -208.604 GPRESSURE: 4993000 -12.3963 37.7823 57.6982 -57.3333 157.43 129.664 -171.208 16.6805 -175.786 PRESSAVG: 4993000 6.34263 -23.5517 -4.24378 -23.5517 1.44021 14.9466 -4.24376 14.9467 -12.6107 GPRESSAVG: 4993000 7.38448 -22.6911 -3.32776 -22.8976 0.396268 12.2731 -4.87411 16.1336 -12.2122 TIMING: 4993000 CPU: 14513.1, 0.00290841/step Wall: 14513.1, 0.00290841/step, 0.00565524 hours remaining, 208.335938 MB of memory in use. ENERGY: 4993000 762.0640 2130.0533 1950.7631 102.8012 -206644.3828 17948.6548 0.0000 0.0000 34304.4526 -149445.5939 299.5893 -183750.0465 -149359.2504 299.1340 -38.7777 -10.2509 557945.6114 -1.6093 -1.4772 PRESSURE: 4993200 -168.917 -48.6386 -30.1453 -48.6388 -250.474 -33.047 -30.1451 -33.0469 -63.96 GPRESSURE: 4993200 -167.824 -37.4422 -44.3412 -77.2128 -185.316 78.3723 -5.53862 -20.255 -45.3863 PRESSAVG: 4993200 3.88602 -35.4125 -7.6339 -35.4125 34.6426 25.7007 -7.6339 25.7007 -15.5675 GPRESSAVG: 4993200 3.24363 -35.5087 -9.38554 -36.4855 35.4889 26.5902 -7.18529 25.5639 -15.4699 TIMING: 4993200 CPU: 14513.7, 0.00289015/step Wall: 14513.7, 0.00289015/step, 0.00545918 hours remaining, 208.335938 MB of memory in use. ENERGY: 4993200 759.0973 2060.9533 1947.7904 113.0064 -206285.1575 17670.9917 0.0000 0.0000 34311.0804 -149422.2380 299.6472 -183733.3184 -149326.9387 299.3792 -161.1170 -132.8422 559176.5283 7.6537 7.7542 PRESSURE: 4993400 -116.783 131.407 208.355 131.406 -65.4974 -78.687 208.356 -78.6879 -249.603 GPRESSURE: 4993400 -68.8866 155.393 207.804 95.0859 7.79789 -126.743 201.283 -56.1253 -277.162 PRESSAVG: 4993400 -20.0491 18.063 5.51874 18.063 22.4195 -19.4857 5.51876 -19.4857 8.28081 GPRESSAVG: 4993400 -19.2998 17.4994 7.3588 20.7517 22.6612 -19.3265 4.75245 -21.9779 7.485 TIMING: 4993400 CPU: 14514.3, 0.00292338/step Wall: 14514.3, 0.00292338/step, 0.00535953 hours remaining, 208.335938 MB of memory in use. ENERGY: 4993400 791.3099 2107.0198 1929.5507 102.3220 -206396.4326 17681.0927 0.0000 0.0000 34234.0372 -149551.1002 298.9744 -183785.1374 -149459.5500 299.2651 -143.9610 -112.7501 557183.2761 3.5504 3.6155 PRESSURE: 4993600 -314.505 86.9037 106.27 86.9029 -102.634 -318.808 106.269 -318.806 -306.7 GPRESSURE: 4993600 -296.396 48.6635 74.0347 143.66 -44.9113 -301.553 138.241 -316.897 -274.693 PRESSAVG: 4993600 -25.9835 76.9847 33.6648 76.9845 40.614 -26.1017 33.6648 -26.1017 -45.1781 GPRESSAVG: 4993600 -26.7527 76.872 32.0917 75.2559 41.3413 -24.9594 33.7304 -24.7262 -44.1681 TIMING: 4993600 CPU: 14514.8, 0.00292426/step Wall: 14514.8, 0.00292426/step, 0.00519869 hours remaining, 208.335938 MB of memory in use. ENERGY: 4993600 756.4600 2103.1693 1949.2139 106.1401 -205901.4141 17398.6960 0.0000 0.0000 34275.0600 -149312.6746 299.3326 -183587.7346 -149209.9791 299.2821 -241.2796 -205.3334 556478.1660 -10.1825 -9.8598 PRESSURE: 4993800 -22.8326 -19.7923 12.6624 -19.791 -47.9203 -142.977 12.6637 -142.975 103.201 GPRESSURE: 4993800 -17.9751 -13.0979 -11.7093 14.5473 -5.78469 -148.328 12.2077 -49.7677 153.602 PRESSAVG: 4993800 -26.3656 20.0569 10.266 20.0569 26.0412 24.9129 10.266 24.9129 60.3952 GPRESSAVG: 4993800 -26.2885 19.3854 12.458 21.9235 25.544 25.9488 10.3768 25.6 60.1072 TIMING: 4993800 CPU: 14515.4, 0.00293484/step Wall: 14515.4, 0.00293484/step, 0.00505445 hours remaining, 208.335938 MB of memory in use. ENERGY: 4993800 752.1875 2087.7242 1965.5972 125.3148 -206312.1178 17810.2865 0.0000 0.0000 34148.1695 -149422.8382 298.2245 -183571.0077 -149327.1656 298.9423 10.8160 43.2809 555641.0806 20.0236 19.7876 PRESSURE: 4994000 -413.538 49.5425 51.2688 49.5429 -135.737 5.25615 51.2698 5.25665 108.754 GPRESSURE: 4994000 -334.4 30.8641 101.513 75.1393 -154.843 28.6949 80.3518 -63.3977 154.189 PRESSAVG: 4994000 -0.924477 -44.433 14.6058 -44.433 16.0569 -45.2552 14.6059 -45.2552 -14.1538 GPRESSAVG: 4994000 -0.603085 -43.1089 12.4321 -47.3537 15.1796 -47.0106 14.66 -47.1402 -14.5682 TIMING: 4994000 CPU: 14516, 0.0029388/step Wall: 14516, 0.0029388/step, 0.00489799 hours remaining, 208.335938 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: 4994000 748.2526 2071.4862 1949.1065 97.6817 -206361.7958 17839.3903 0.0000 0.0000 34094.6806 -149561.1979 297.7573 -183655.8785 -149468.3298 299.3147 -146.8401 -111.6850 557441.8913 0.3262 0.0028 PRESSURE: 4994200 -53.0744 69.3001 -178.59 69.3009 -109.714 -14.1579 -178.591 -14.1569 -20.5863 GPRESSURE: 4994200 12.4329 18.4617 -112.641 37.9167 -69.9396 -74.2879 -168.92 11.0881 -26.5547 PRESSAVG: 4994200 -16.841 -1.88089 9.56632 -1.88088 -20.8771 10.4232 9.56637 10.4234 88.3869 GPRESSAVG: 4994200 -16.4052 -2.4598 9.12406 0.10828 -20.6568 8.05292 10.4132 12.1958 87.8528 TIMING: 4994200 CPU: 14516.6, 0.00292762/step Wall: 14516.6, 0.00292762/step, 0.00471673 hours remaining, 208.335938 MB of memory in use. ENERGY: 4994200 736.8582 2092.9105 1970.5841 130.1524 -206054.9477 17643.9598 0.0000 0.0000 34088.0665 -149392.4162 297.6996 -183480.4827 -149293.3434 298.2961 -61.1250 -28.0205 556249.3995 16.8896 16.9302 PRESSURE: 4994400 129.539 271.121 -105.053 271.12 83.375 24.3267 -105.054 24.3246 -84.7613 GPRESSURE: 4994400 140.559 215.144 -103.203 270.881 97.4073 7.53178 -143.877 49.2615 -13.0542 PRESSAVG: 4994400 42.9924 11.3168 -13.8677 11.3168 4.54039 58.2037 -13.8677 58.2038 -17.8685 GPRESSAVG: 4994400 42.3665 10.764 -11.9795 11.8286 4.96888 59.2455 -15.0852 57.035 -18.0438 TIMING: 4994400 CPU: 14517.2, 0.00291339/step Wall: 14517.2, 0.00291339/step, 0.00453194 hours remaining, 208.335938 MB of memory in use. ENERGY: 4994400 756.6778 2121.4723 1941.3835 123.1136 -206437.4265 17836.9435 0.0000 0.0000 34380.0830 -149277.7528 300.2498 -183657.8358 -149181.5342 298.3944 42.7177 74.9708 555193.5232 9.8881 9.7639 PRESSURE: 4994600 -185.191 -10.2859 -62.3879 -10.285 -212.938 -85.0321 -62.3874 -85.0324 3.68339 GPRESSURE: 4994600 -139.195 -62.6586 -24.8837 29.9621 -168.521 -71.1482 -32.3717 -104.273 0.828412 PRESSAVG: 4994600 -36.3706 -10.0178 0.321319 -10.0178 30.7498 14.0804 0.321327 14.0803 56.7832 GPRESSAVG: 4994600 -36.5863 -8.39892 -0.618903 -12.0945 29.759 15.1445 -0.35103 14.197 57.9797 TIMING: 4994600 CPU: 14517.8, 0.00294831/step Wall: 14517.8, 0.00294831/step, 0.00442247 hours remaining, 208.335938 MB of memory in use. ENERGY: 4994600 738.2824 2133.8116 1972.2631 116.0106 -205931.7380 17492.9991 0.0000 0.0000 34420.5852 -149057.7859 300.6035 -183478.3711 -148960.0426 299.7368 -131.4820 -102.2958 557067.7679 17.0541 17.0508 PRESSURE: 4994800 -291.466 -19.307 -117.762 -19.3081 29.2225 -45.886 -117.762 -45.8854 -43.5373 GPRESSURE: 4994800 -212.05 -45.3607 -114.576 44.6522 46.7187 -154.261 -105.873 -8.63147 -38.2888 PRESSAVG: 4994800 -76.73 -3.96888 49.7708 -3.96888 68.5679 -15.927 49.7707 -15.927 -15.839 GPRESSAVG: 4994800 -76.3603 -4.60278 48.6091 -3.97405 69.5662 -17.9313 51.9362 -16.0015 -17.4551 TIMING: 4994800 CPU: 14518.4, 0.00291276/step Wall: 14518.4, 0.00291277/step, 0.00420733 hours remaining, 208.335938 MB of memory in use. ENERGY: 4994800 743.1192 2099.5953 1950.8166 112.5650 -206239.1589 17700.3016 0.0000 0.0000 34490.4207 -149142.3404 301.2134 -183632.7611 -149038.2300 300.0560 -101.9270 -67.8733 555371.0510 -8.0004 -8.0830 PRESSURE: 4995000 105.358 -68.7303 222.01 -68.7306 59.9753 42.0482 222.01 42.0478 80.9217 GPRESSURE: 4995000 164.608 -7.95782 271.866 -116.378 90.3467 22.1513 166.599 -0.0124031 82.6943 PRESSAVG: 4995000 -27.9483 5.93026 17.4102 5.93035 41.772 -1.08511 17.4103 -1.08504 -17.34 GPRESSAVG: 4995000 -27.8853 4.00973 17.3906 8.85439 40.8293 0.723514 15.8242 0.854817 -16.4356 TIMING: 4995000 CPU: 14518.9, 0.00290495/step Wall: 14518.9, 0.00290495/step, 0.00403466 hours remaining, 208.335938 MB of memory in use. ENERGY: 4995000 728.3084 2117.6975 1958.1774 112.9025 -206352.4953 17923.5480 0.0000 0.0000 34313.0625 -149198.7991 299.6645 -183511.8616 -149106.3843 299.6191 82.0851 112.5497 556194.8982 -1.1721 -1.1639 PRESSURE: 4995200 -0.225203 -72.4124 -81.8881 -72.4124 224.573 41.7465 -81.8875 41.7462 -19.1412 GPRESSURE: 4995200 -21.9908 -144.617 -107.108 -60.5922 277.056 -0.834363 -62.8365 44.6829 53.8734 PRESSAVG: 4995200 -6.88555 10.1995 59.4495 10.1993 7.99177 -36.2092 59.4496 -36.2094 45.5606 GPRESSAVG: 4995200 -7.44832 12.4237 58.2458 7.13511 8.84498 -36.2907 59.839 -37.6924 44.8377 TIMING: 4995200 CPU: 14519.5, 0.00291161/step Wall: 14519.5, 0.00291161/step, 0.00388215 hours remaining, 208.335938 MB of memory in use. ENERGY: 4995200 757.9520 2071.5875 1954.9868 118.5410 -206267.5818 17862.0538 0.0000 0.0000 34362.3770 -149140.0837 300.0952 -183502.4606 -149049.8432 300.0904 68.4021 102.9794 556525.8306 15.5556 15.4115 PRESSURE: 4995400 150.03 -99.185 -120.32 -99.1861 -52.1473 78.431 -120.322 78.4312 45.846 GPRESSURE: 4995400 171.972 -47.5097 -178.997 -147.624 9.58715 147.285 -181.301 66.032 62.4852 PRESSAVG: 4995400 2.20599 11.4926 -2.63852 11.4925 9.9231 6.33982 -2.63868 6.33979 -43.0755 GPRESSAVG: 4995400 1.68172 10.539 -2.37139 13.1849 9.45989 6.74455 -2.14529 7.9794 -42.3856 TIMING: 4995400 CPU: 14520.1, 0.0029093/step Wall: 14520.1, 0.0029093/step, 0.00371744 hours remaining, 208.335938 MB of memory in use. ENERGY: 4995400 764.9061 2068.2829 1946.4287 120.6979 -206325.6212 17918.3293 0.0000 0.0000 34351.9925 -149154.9837 300.0045 -183506.9762 -149061.3188 299.5388 47.9094 81.3482 556054.1170 -10.3155 -10.4147 PRESSURE: 4995600 -10.9942 -65.8466 -118.291 -65.846 -134.037 389.326 -118.291 389.324 -233.625 GPRESSURE: 4995600 22.2516 -116.499 -31.5281 -33.9211 -56.9168 347.697 -146.095 373.728 -249.374 PRESSAVG: 4995600 -0.98389 33.1233 22.1211 33.1233 -43.3382 83.5079 22.1211 83.5079 13.4161 GPRESSAVG: 4995600 -1.03253 33.0138 23.0386 34.0381 -43.7181 83.696 21.8221 82.9962 13.676 TIMING: 4995600 CPU: 14520.7, 0.00290482/step Wall: 14520.7, 0.00290482/step, 0.00355034 hours remaining, 208.335938 MB of memory in use. ENERGY: 4995600 714.0767 2071.5533 1961.0526 117.4276 -205689.8717 17585.2099 0.0000 0.0000 34222.7167 -149017.8349 298.8755 -183240.5516 -148927.6185 299.7521 -126.2188 -94.6798 558578.4124 -10.3020 -10.3582 PRESSURE: 4995800 -81.1613 61.5583 7.07589 61.559 195.76 -1.2746 7.07612 -1.27369 78.656 GPRESSURE: 4995800 -27.1086 79.6964 16.8073 131.835 205.403 22.7077 -25.1984 52.2958 110.46 PRESSAVG: 4995800 7.6464 -39.7695 14.4495 -39.7695 -35.5616 43.7271 14.4494 43.7271 33.1348 GPRESSAVG: 4995800 6.28523 -38.3455 15.7419 -42.2988 -34.8125 40.743 13.8202 45.3291 33.5635 TIMING: 4995800 CPU: 14521.3, 0.0029278/step Wall: 14521.3, 0.0029278/step, 0.00341577 hours remaining, 208.335938 MB of memory in use. ENERGY: 4995800 727.1016 2072.7557 1951.8261 111.9605 -205959.8679 17721.0506 0.0000 0.0000 34282.0263 -149093.1470 299.3935 -183375.1733 -148997.3443 299.4201 64.4183 96.2516 557375.0989 1.7398 1.6788 PRESSURE: 4996000 67.0679 102.053 -155.49 102.053 -2.70055 -1.69984 -155.49 -1.7 -34.7549 GPRESSURE: 4996000 129.074 215.223 -74.1896 18.3726 42.9001 26.2957 -245.884 -2.17778 -41.7696 PRESSAVG: 4996000 -16.0315 44.3731 -30.3757 44.373 18.0702 22.9984 -30.3757 22.9984 -34.2472 GPRESSAVG: 4996000 -14.44 45.4463 -31.8954 42.6059 17.6448 24.4947 -29.5596 22.2649 -35.0319 TIMING: 4996000 CPU: 14521.9, 0.00297001/step Wall: 14521.9, 0.00297001/step, 0.00330001 hours remaining, 208.335938 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: 4996000 718.4636 2116.9017 1963.1348 101.6114 -206131.0251 17735.9072 0.0000 0.0000 34396.1354 -149098.8710 300.3900 -183495.0065 -149008.2847 299.8389 9.8708 43.4015 556803.5120 -10.7362 -10.6090 PRESSURE: 4996200 37.8225 -31.4481 17.5667 -31.4487 -19.4661 -30.6872 17.5667 -30.6883 -68.8326 GPRESSURE: 4996200 104.826 -38.4863 46.8316 -9.47761 14.5567 26.0563 59.0463 -77.5541 -78.0018 PRESSAVG: 4996200 103.105 18.1957 9.91891 18.1956 5.1071 -30.1233 9.91888 -30.1233 -35.8735 GPRESSAVG: 4996200 103.924 16.677 9.62307 21.377 4.2846 -28.4172 9.96271 -31.3383 -36.0915 TIMING: 4996200 CPU: 14522.5, 0.00293448/step Wall: 14522.5, 0.00293448/step, 0.0030975 hours remaining, 208.335938 MB of memory in use. ENERGY: 4996200 737.2106 2075.0180 1963.5406 103.7047 -206057.7017 17585.3285 0.0000 0.0000 34207.0019 -149385.8975 298.7383 -183592.8994 -149293.7201 299.1337 -16.8254 13.7935 556352.7730 24.1127 24.0391 LDB: ============= START OF LOAD BALANCING ============== 14525.9 LDB: ============== END OF LOAD BALANCING =============== 14525.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14525.9 LDB: ============= START OF LOAD BALANCING ============== 14526.2 LDB: Largest compute 4848 load 0.028706 is 24.4% of average load 0.117864 LDB: Average compute 0.001736 is 1.5% of average load 0.117864 LDB: TIME 14526.2 LOAD: AVG 0.117864 MAX 0.19526 PROXIES: TOTAL 977 MAXPE 10 MAXPATCH 8 None MEM: 207.355 MB LDB: TIME 14526.2 LOAD: AVG 0.117864 MAX 0.19526 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 14526.2 LOAD: AVG 0.117864 MAX 0.19526 PROXIES: TOTAL 981 MAXPE 10 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: ============== END OF LOAD BALANCING =============== 14526.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14526.2 PRESSURE: 4996400 117.908 90.6524 105.22 90.6532 -88.3275 -117.027 105.222 -117.027 -44.6942 GPRESSURE: 4996400 191.303 110.238 106.992 112.538 -28.8941 -106.356 35.0982 -124.022 -67.8889 PRESSAVG: 4996400 51.5774 -24.6849 58.9042 -24.6849 -25.0027 -0.265315 58.9042 -0.265202 -33.2915 GPRESSAVG: 4996400 51.0157 -25.0779 60.1475 -27.1911 -24.7063 -0.570519 57.07 1.82506 -32.7978 TIMING: 4996400 CPU: 14523.1, 0.00300032/step Wall: 14523.1, 0.00300032/step, 0.00300032 hours remaining, 207.355469 MB of memory in use. ENERGY: 4996400 739.5863 2106.2821 1968.8341 111.1296 -205901.8619 17691.9263 0.0000 0.0000 33945.4920 -149338.6115 296.4544 -183284.1035 -149240.7469 298.6876 -5.0377 31.5067 557027.6189 -2.2389 -2.1628 PRESSURE: 4996600 -30.2258 -135.428 28.7824 -135.427 -357.805 171.104 28.783 171.105 260.038 GPRESSURE: 4996600 23.5772 -142.82 60.5988 -81.8417 -312.389 188.988 -0.730917 141.553 261.661 PRESSAVG: 4996600 81.7935 19.7014 59.0106 19.7014 -84.2352 38.1961 59.0106 38.1962 32.5386 GPRESSAVG: 4996600 81.4894 19.8005 56.261 21.5203 -83.0972 37.9597 61.2039 38.1248 32.1073 TIMING: 4996600 CPU: 14523.6, 0.00292773/step Wall: 14523.6, 0.00292773/step, 0.00276508 hours remaining, 207.558594 MB of memory in use. ENERGY: 4996600 735.9633 2068.2748 1988.4028 128.6895 -206228.7662 17745.0030 0.0000 0.0000 34181.5995 -149380.8333 298.5164 -183562.4329 -149279.7238 298.2780 -42.6643 -9.0504 556913.7156 10.0323 10.1665 PRESSURE: 4996800 -142.731 15.5737 -39.9935 15.5751 12.5671 -224.17 -39.9936 -224.173 100.189 GPRESSURE: 4996800 -86.9621 41.5092 18.2374 -68.4571 52.5371 -211.799 -27.5913 -163.198 114.548 PRESSAVG: 4996800 -31.8327 21.208 60.6383 21.208 -4.65699 -38.5464 60.6383 -38.5464 2.63274 GPRESSAVG: 4996800 -31.6079 21.4462 62.8638 21.6817 -5.18173 -39.795 58.2655 -40.2128 2.84628 TIMING: 4996800 CPU: 14524.2, 0.00293359/step Wall: 14524.2, 0.00293359/step, 0.00260763 hours remaining, 207.558594 MB of memory in use. ENERGY: 4996800 739.1502 2052.8879 1948.8861 109.1611 -206094.6825 17759.9078 0.0000 0.0000 34070.5698 -149414.1197 297.5468 -183484.6896 -149318.3488 298.8097 -9.9919 26.7077 556938.6871 -11.2856 -11.3144 PRESSURE: 4997000 -220.728 206.097 130.595 206.098 280.11 -4.3625 130.594 -4.36203 -310.503 GPRESSURE: 4997000 -231.879 186.463 89.7354 196.138 312.117 -88.1384 68.9718 44.0003 -233.785 PRESSAVG: 4997000 30.7044 21.2228 68.1068 21.2228 39.0037 -41.8042 68.1068 -41.8043 -73.3849 GPRESSAVG: 4997000 31.2698 20.9627 66.7821 18.2237 39.3137 -40.8946 70.9006 -39.0593 -73.9628 TIMING: 4997000 CPU: 14524.8, 0.00293123/step Wall: 14524.8, 0.00293123/step, 0.00244269 hours remaining, 207.558594 MB of memory in use. ENERGY: 4997000 762.9604 2060.2755 1950.7037 115.8675 -206285.8776 17800.6370 0.0000 0.0000 34052.8426 -149542.5909 297.3919 -183595.4334 -149441.7800 297.9661 -83.7068 -51.1825 556723.9112 -1.2256 -1.1264 PRESSURE: 4997200 -318.787 12.8116 201.941 12.8112 -65.099 3.08989 201.941 3.0903 96.3245 GPRESSURE: 4997200 -202.751 -10.3235 240.203 21.3845 -61.6616 156.919 141.957 -49.097 67.5581 PRESSAVG: 4997200 -39.9979 16.6014 26.6387 16.6014 58.2475 1.0777 26.6386 1.0777 -11.5468 GPRESSAVG: 4997200 -40.334 16.1438 27.0657 17.7884 57.633 1.79563 25.0362 0.708327 -10.9746 TIMING: 4997200 CPU: 14525.4, 0.00293123/step Wall: 14525.4, 0.00293123/step, 0.00227985 hours remaining, 207.558594 MB of memory in use. ENERGY: 4997200 771.8509 2070.5092 1943.5746 108.8960 -206136.8619 17668.2702 0.0000 0.0000 34178.4943 -149395.2668 298.4893 -183573.7611 -149299.6311 298.8560 -95.8537 -65.6183 557216.3957 2.2343 2.1081 PRESSURE: 4997400 160.843 50.2912 166.547 50.2902 -194.104 22.104 166.547 22.1021 -103.533 GPRESSURE: 4997400 135.501 64.3843 24.1707 56.5699 -81.2727 1.63122 206.26 39.0411 -101.744 PRESSAVG: 4997400 42.4965 29.6036 47.9078 29.6035 15.8537 31.7245 47.9078 31.7245 -47.6193 GPRESSAVG: 4997400 42.5453 30.2535 45.8261 30.4821 15.3833 32.3935 49.7138 30.0901 -47.7972 TIMING: 4997400 CPU: 14526, 0.00291562/step Wall: 14526, 0.00291562/step, 0.00210573 hours remaining, 207.558594 MB of memory in use. ENERGY: 4997400 777.3376 2088.7292 1948.5754 122.0883 -206184.2844 17765.6530 0.0000 0.0000 34172.3410 -149309.5600 298.4356 -183481.9010 -149218.3344 298.8055 -45.5979 -15.8384 558316.8194 3.5770 3.3771 PRESSURE: 4997600 0.438089 36.1007 -83.5323 36.1004 61.9051 114.774 -83.5343 114.774 -36.0011 GPRESSURE: 4997600 14.2642 71.2107 0.459868 18.3172 69.0893 62.44 -110.734 136.729 31.9084 PRESSAVG: 4997600 -6.01566 20.1323 -22.1124 20.1323 61.1983 -12.1825 -22.1125 -12.1826 -57.4721 GPRESSAVG: 4997600 -6.10757 20.5258 -19.948 21.2539 61.4856 -14.7542 -25.8945 -10.8801 -57.808 TIMING: 4997600 CPU: 14526.6, 0.00292472/step Wall: 14526.6, 0.00292472/step, 0.00194982 hours remaining, 207.558594 MB of memory in use. ENERGY: 4997600 742.3655 2061.9511 1937.2510 111.4200 -206463.4887 17842.1677 0.0000 0.0000 34384.9439 -149383.3895 300.2923 -183768.3333 -149283.0329 298.6117 8.7807 38.4206 556806.4362 -0.7632 -0.8100 PRESSURE: 4997800 -234.69 -75.1849 -45.0683 -75.1844 -53.4675 -71.0162 -45.0685 -71.0152 -93.7792 GPRESSURE: 4997800 -232.481 -82.9518 -85.5368 -31.9013 11.4005 -100.095 -59.3347 -75.6857 -59.2718 PRESSAVG: 4997800 -44.2249 20.4332 -17.1814 20.4332 16.6562 25.6961 -17.1816 25.6962 16.6691 GPRESSAVG: 4997800 -44.9447 21.2395 -19.808 17.7923 16.5419 27.0717 -14.6322 23.0704 17.3479 TIMING: 4997800 CPU: 14527.2, 0.00295242/step Wall: 14527.2, 0.00295242/step, 0.00180426 hours remaining, 207.558594 MB of memory in use. ENERGY: 4997800 720.1668 2066.6194 1956.9637 102.5230 -206152.6716 17657.4261 0.0000 0.0000 34314.6869 -149334.2856 299.6787 -183648.9724 -149233.4665 298.3853 -127.3121 -93.4508 558422.8409 -3.6332 -3.6850 PRESSURE: 4998000 -42.9371 -47.5444 9.19894 -47.547 51.8968 -29.938 9.19844 -29.9374 -226.741 GPRESSURE: 4998000 -29.8287 44.5627 -51.2511 -101.149 86.9746 58.8214 -39.7558 -3.86881 -166.155 PRESSAVG: 4998000 -58.7924 -38.1378 63.6825 -38.1378 27.0273 21.7665 63.6825 21.7665 47.5721 GPRESSAVG: 4998000 -58.694 -38.0989 64.4577 -37.4251 27.4948 22.7551 63.7302 22.2307 46.4471 TIMING: 4998000 CPU: 14527.7, 0.00292562/step Wall: 14527.7, 0.00292562/step, 0.00162534 hours remaining, 207.558594 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: 4998000 739.7591 2122.2897 1948.9748 110.4216 -206463.7840 17841.8640 0.0000 0.0000 34212.3692 -149488.1055 298.7851 -183700.4747 -149395.1617 298.6328 -72.5937 -36.3365 557428.7695 5.2690 5.0826 PRESSURE: 4998200 137.012 -6.62913 -137.312 -6.62866 54.7925 -25.0957 -137.312 -25.0956 169.006 GPRESSURE: 4998200 84.4971 22.7998 -100.981 -53.2941 111.555 -37.1251 -174.257 -28.3365 260.759 PRESSAVG: 4998200 -8.07348 -1.11088 18.3577 -1.11095 -1.86816 -28.92 18.3577 -28.9201 5.08135 GPRESSAVG: 4998200 -8.19212 -0.772201 20.8013 -1.0226 -2.32818 -30.1391 16.8449 -28.6006 5.56767 TIMING: 4998200 CPU: 14528.3, 0.00294964/step Wall: 14528.3, 0.00294964/step, 0.00147482 hours remaining, 207.558594 MB of memory in use. ENERGY: 4998200 769.5408 2068.2818 1955.2418 103.9180 -207147.6744 18196.2368 0.0000 0.0000 34352.2930 -149702.1622 300.0071 -184054.4552 -149610.6100 298.3764 120.2701 152.2706 556957.3897 -1.6201 -1.6509 PRESSURE: 4998400 -118.024 26.8829 -33.9803 26.8833 -8.81772 -59.4076 -33.9809 -59.4058 -399.49 GPRESSURE: 4998400 -38.5953 47.8845 -68.811 10.3158 -12.3611 -9.74998 -14.0118 -28.7338 -380.04 PRESSAVG: 4998400 -35.7077 -57.4564 -45.7633 -57.4565 30.3594 -60.0393 -45.7633 -60.0393 -15.3646 GPRESSAVG: 4998400 -35.4418 -58.5525 -47.0344 -55.2178 30.7614 -59.8404 -44.225 -59.2311 -15.9973 TIMING: 4998400 CPU: 14528.9, 0.00293641/step Wall: 14528.9, 0.00293641/step, 0.00130507 hours remaining, 207.558594 MB of memory in use. ENERGY: 4998400 752.8259 2036.9029 1945.7883 114.1479 -206348.3526 17635.2016 0.0000 0.0000 34150.9173 -149712.5687 298.2485 -183863.4860 -149610.8244 297.9197 -175.4441 -143.6656 559280.8142 -6.9043 -6.8925 PRESSURE: 4998600 32.9856 -4.02821 14.9156 -4.02691 193.407 -2.62221 14.9149 -2.62101 140.502 GPRESSURE: 4998600 29.6897 51.0772 68.1894 -37.2911 240.58 -47.915 4.92979 55.7916 180.804 PRESSAVG: 4998600 -74.176 8.22542 -60.2769 8.22533 33.7654 -35.1575 -60.277 -35.1574 61.6815 GPRESSAVG: 4998600 -74.766 9.83395 -59.1835 6.89871 34.2488 -35.3452 -60.9765 -35.5929 62.078 TIMING: 4998600 CPU: 14529.5, 0.00293486/step Wall: 14529.5, 0.00293486/step, 0.00114134 hours remaining, 207.558594 MB of memory in use. ENERGY: 4998600 723.0613 2064.9524 1944.2701 102.1546 -206374.9751 17866.1428 0.0000 0.0000 34111.8909 -149562.5030 297.9076 -183674.3939 -149464.2899 298.1231 122.2980 150.3581 557528.1787 7.0903 7.1870 PRESSURE: 4998800 117.484 14.1562 -51.5657 14.1566 187.595 -30.0666 -51.5657 -30.0653 147.73 GPRESSURE: 4998800 152.461 44.5963 -161.59 -47.6502 273.976 25.277 -81.3237 -30.9486 117.672 PRESSAVG: 4998800 -10.2115 33.717 65.0043 33.717 -3.69539 -2.14718 65.0043 -2.14718 14.2912 GPRESSAVG: 4998800 -10.2237 31.3919 63.6553 34.2755 -3.24555 -2.94698 65.6986 -1.30312 13.8806 TIMING: 4998800 CPU: 14530.1, 0.00295038/step Wall: 14530.1, 0.00295038/step, 0.000983461 hours remaining, 207.558594 MB of memory in use. ENERGY: 4998800 736.2081 2083.6924 1945.5620 117.4829 -206495.0699 17936.7435 0.0000 0.0000 34182.2085 -149493.1726 298.5217 -183675.3811 -149403.5024 298.5615 150.9362 181.3694 555758.1015 0.1281 0.1371 PRESSURE: 4999000 29.5147 42.1303 48.5126 42.1327 -9.18401 94.3041 48.5127 94.3044 -66.3253 GPRESSURE: 4999000 31.405 6.26759 31.9667 42.053 65.678 34.6475 35.4151 98.9953 -65.7185 PRESSAVG: 4999000 -2.29166 -11.6397 -6.63426 -11.6396 39.8435 -9.2153 -6.63425 -9.21526 20.2132 GPRESSAVG: 4999000 -1.36437 -10.3106 -5.75381 -13.3258 38.2653 -9.18223 -7.70912 -11.1435 20.3244 TIMING: 4999000 CPU: 14530.7, 0.00297948/step Wall: 14530.7, 0.00297948/step, 0.000827632 hours remaining, 207.558594 MB of memory in use. ENERGY: 4999000 728.4876 2080.1868 1931.5292 108.7099 -206237.2949 17718.2998 0.0000 0.0000 34101.9781 -149568.1035 297.8211 -183670.0816 -149471.3881 298.5780 -15.3315 10.4548 556193.6258 19.2550 19.0751 PRESSURE: 4999200 -39.8174 -121.095 -170.309 -121.095 66.5753 86.7851 -170.309 86.7844 -257.48 GPRESSURE: 4999200 -74.7058 -111.111 -176.254 -188.981 115.632 30.9882 -133.38 102.707 -188.786 PRESSAVG: 4999200 -21.441 -32.2396 35.9789 -32.2395 41.4944 19.5361 35.979 19.5359 -8.90192 GPRESSAVG: 4999200 -21.5415 -32.6512 34.8987 -30.2912 41.7351 19.1683 35.911 21.1916 -9.3056 TIMING: 4999200 CPU: 14531.3, 0.00296815/step Wall: 14531.3, 0.00296815/step, 0.00065959 hours remaining, 207.558594 MB of memory in use. ENERGY: 4999200 759.5667 2101.8811 1949.8985 108.8953 -206211.0215 17635.2471 0.0000 0.0000 34040.7220 -149614.8108 297.2861 -183655.5328 -149525.1086 297.9221 -76.9073 -49.2867 556481.3050 3.7172 3.6293 PRESSURE: 4999400 38.9301 103.03 -168.139 103.03 -95.8273 -2.43833 -168.141 -2.43914 -118.335 GPRESSURE: 4999400 50.8228 16.1574 -144.729 124.308 -86.587 8.95606 -130.51 -19.8024 -55.78 PRESSAVG: 4999400 -3.57982 -24.3199 -5.30278 -24.32 -28.8048 -6.98572 -5.3027 -6.98579 -0.532677 GPRESSAVG: 4999400 -4.21512 -24.3249 -5.88312 -25.3211 -28.1664 -6.35535 -5.33532 -7.0965 -1.007 TIMING: 4999400 CPU: 14531.9, 0.00295794/step Wall: 14531.9, 0.00295794/step, 0.00049299 hours remaining, 207.558594 MB of memory in use. ENERGY: 4999400 762.8656 2052.0810 1966.8323 102.5517 -206426.6791 17831.0547 0.0000 0.0000 34196.3580 -149514.9358 298.6453 -183711.2939 -149417.4278 298.2662 -58.4106 -30.5147 557942.7075 -10.9724 -11.1295 PRESSURE: 4999600 -179.718 47.4508 -11.9272 47.4516 -235.384 250.702 -11.9275 250.702 -463.647 GPRESSURE: 4999600 -120.482 48.4352 -16.9375 56.316 -222.414 219.39 -117.584 284.736 -439.893 PRESSAVG: 4999600 -15.9095 -11.401 18.035 -11.401 4.35753 28.3276 18.035 28.3277 -19.6233 GPRESSAVG: 4999600 -16.2563 -11.5897 18.0192 -11.2607 4.5699 30.2774 18.0753 26.6236 -19.0187 TIMING: 4999600 CPU: 14532.5, 0.00294384/step Wall: 14532.5, 0.00294384/step, 0.000327093 hours remaining, 207.558594 MB of memory in use. ENERGY: 4999600 773.9873 2057.0371 1985.6331 111.9235 -206394.3191 17656.4527 0.0000 0.0000 34129.8254 -149679.4600 298.0643 -183809.2854 -149586.9160 298.1128 -292.9160 -260.9298 557624.6436 -10.3918 -10.2350 PRESSURE: 4999800 -226.676 -65.3309 171.902 -65.3323 50.6184 154.164 171.901 154.164 237.719 GPRESSURE: 4999800 -124.84 -123.852 199.685 -17.8955 79.0447 59.45 228.525 249.019 220.914 PRESSAVG: 4999800 -48.9111 -34.4462 -9.78121 -34.4463 29.4088 12.8847 -9.78121 12.8848 -33.8691 GPRESSAVG: 4999800 -47.9821 -32.7914 -12.0831 -34.736 28.8968 10.8062 -7.63219 13.5856 -34.2413 TIMING: 4999800 CPU: 14533.1, 0.00295853/step Wall: 14533.1, 0.00295853/step, 0.000164363 hours remaining, 207.558594 MB of memory in use. ENERGY: 4999800 709.0047 2116.1531 1956.9585 120.8146 -206577.3364 17949.4697 0.0000 0.0000 34172.2757 -149552.6600 298.4350 -183724.9357 -149465.4025 298.1553 20.5535 58.3728 556543.5176 -17.7905 -17.7755 PRESSURE: 5000000 76.9838 -66.0402 -12.4703 -66.0411 154.634 -205.408 -12.4697 -205.408 65.3368 GPRESSURE: 5000000 106.77 -31.6818 12.555 -41.2717 158.927 -221.928 -5.33667 -195.42 120.62 PRESSAVG: 5000000 -3.46509 2.56846 23.5875 2.56851 17.0054 -22.9622 23.5874 -22.9621 -21.1159 GPRESSAVG: 5000000 -3.23639 2.70946 28.1143 3.67359 16.9415 -21.7494 20.8797 -24.4458 -20.7693 TIMING: 5000000 CPU: 14533.6, 0.00293642/step Wall: 14533.6, 0.00293642/step, 0 hours remaining, 207.558594 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: 5000000 715.0857 2054.5745 1950.3600 104.8051 -207037.4226 18010.5071 0.0000 0.0000 34435.5309 -149766.5594 300.7341 -184202.0902 -149670.3976 297.8996 98.9849 128.7726 556625.5740 -2.5252 -2.3547 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.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.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 14537.269531 CPUTime: 14537.269531 Memory: 207.796875 MB [Partition 0][Node 0] End of program Application 48604989 resources: utime ~2292428s, stime ~29004s, Rss ~216856, inblocks ~403776, outblocks ~1030568